smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698930384 965608872 /nfs/dbraw/zinc/60/88/72/965608872.db2.gz LGCKBBCNYVPZNB-BQUFFADESA-N 2 1 208.349 1.763 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+](C3CCOCC3)C[C@@H]2C1 ZINC000715060649 965642020 /nfs/dbraw/zinc/64/20/20/965642020.db2.gz IZJUTUGXXGHLPH-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+](C3CCOCC3)C[C@@H]2C1 ZINC000715060649 965642025 /nfs/dbraw/zinc/64/20/25/965642025.db2.gz IZJUTUGXXGHLPH-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000699528297 965940223 /nfs/dbraw/zinc/94/02/23/965940223.db2.gz XUMFEUQOCWCBQK-RYUDHWBXSA-N 2 1 223.320 1.206 20 0 BDADMP CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001485750775 966632909 /nfs/dbraw/zinc/63/29/09/966632909.db2.gz ATQIFQDJSYFORA-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001204009767 966847166 /nfs/dbraw/zinc/84/71/66/966847166.db2.gz DJZHAMDXJPIEKM-ZDUSSCGKSA-N 2 1 219.332 1.542 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001204009767 966847169 /nfs/dbraw/zinc/84/71/69/966847169.db2.gz DJZHAMDXJPIEKM-ZDUSSCGKSA-N 2 1 219.332 1.542 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001204009767 966847172 /nfs/dbraw/zinc/84/71/72/966847172.db2.gz DJZHAMDXJPIEKM-ZDUSSCGKSA-N 2 1 219.332 1.542 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001204009767 966847179 /nfs/dbraw/zinc/84/71/79/966847179.db2.gz DJZHAMDXJPIEKM-ZDUSSCGKSA-N 2 1 219.332 1.542 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205094969 967338307 /nfs/dbraw/zinc/33/83/07/967338307.db2.gz SCOMLIVXUGPJOM-JTQLQIEISA-N 2 1 225.361 1.765 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205094969 967338321 /nfs/dbraw/zinc/33/83/21/967338321.db2.gz SCOMLIVXUGPJOM-JTQLQIEISA-N 2 1 225.361 1.765 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CC2CCCCC2)C1 ZINC001205662443 967743725 /nfs/dbraw/zinc/74/37/25/967743725.db2.gz AXYUPZVVWMOIDU-AWEZNQCLSA-N 2 1 240.391 1.742 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000085869248 968508267 /nfs/dbraw/zinc/50/82/67/968508267.db2.gz RKCVLRSEWOMHHI-YWPUVAFDSA-N 2 1 226.364 1.756 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@H]1CO ZINC001207276555 968710806 /nfs/dbraw/zinc/71/08/06/968710806.db2.gz ZFQWMJHGGUNHTR-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001207282817 968718675 /nfs/dbraw/zinc/71/86/75/968718675.db2.gz PWOOGLCZPPYPPR-CHWSQXEVSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001208105834 969004296 /nfs/dbraw/zinc/00/42/96/969004296.db2.gz CJRYEUBBOIUGAF-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)CCN1CC[N@@H+](C)CC12CCCC2 ZINC001208132234 969032253 /nfs/dbraw/zinc/03/22/53/969032253.db2.gz QVNKBZBPHDRRRD-UHFFFAOYSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CC2CC(C2)C1 ZINC001253195111 969108973 /nfs/dbraw/zinc/10/89/73/969108973.db2.gz NLOWSBJRPHONTN-WXRRBKDZSA-N 2 1 226.364 1.031 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001208616838 969170488 /nfs/dbraw/zinc/17/04/88/969170488.db2.gz MIPFXUOMMZRTTN-LPWJVIDDSA-N 2 1 226.339 1.476 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001208616838 969170495 /nfs/dbraw/zinc/17/04/95/969170495.db2.gz MIPFXUOMMZRTTN-LPWJVIDDSA-N 2 1 226.339 1.476 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001208616838 969170499 /nfs/dbraw/zinc/17/04/99/969170499.db2.gz MIPFXUOMMZRTTN-LPWJVIDDSA-N 2 1 226.339 1.476 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001169077929 969394904 /nfs/dbraw/zinc/39/49/04/969394904.db2.gz BXNOHEOGCSROBX-RNJOBUHISA-N 2 1 224.348 1.380 20 0 BDADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169079139 969398929 /nfs/dbraw/zinc/39/89/29/969398929.db2.gz JBVYLZGLLCQPLO-XJFOESAGSA-N 2 1 240.391 1.872 20 0 BDADMP C[N@H+](CCCC1OCCO1)C1CC[NH+](C)CC1 ZINC001209305132 969433922 /nfs/dbraw/zinc/43/39/22/969433922.db2.gz ZLZMHRKPEIOXOO-UHFFFAOYSA-N 2 1 242.363 1.166 20 0 BDADMP C[N@@H+](CCCC1OCCO1)C1CC[NH+](C)CC1 ZINC001209305132 969433924 /nfs/dbraw/zinc/43/39/24/969433924.db2.gz ZLZMHRKPEIOXOO-UHFFFAOYSA-N 2 1 242.363 1.166 20 0 BDADMP CCN1CCC([NH2+]CCCCC[NH+](C)C)CC1 ZINC001169221781 969493931 /nfs/dbraw/zinc/49/39/31/969493931.db2.gz LSANMPOPBHYXEK-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP CN(CCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](C)C1 ZINC001209449087 969519745 /nfs/dbraw/zinc/51/97/45/969519745.db2.gz RMLWLVOURFQVII-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001169246595 969533850 /nfs/dbraw/zinc/53/38/50/969533850.db2.gz SUHIRQAGIWMEIF-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001169246595 969533863 /nfs/dbraw/zinc/53/38/63/969533863.db2.gz SUHIRQAGIWMEIF-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2C[C@@](C)(O)C2)CC1 ZINC001254503317 969668486 /nfs/dbraw/zinc/66/84/86/969668486.db2.gz MCJXXHIBAQTTIJ-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@]2(C)CCOC2)CC1 ZINC001254512195 969680177 /nfs/dbraw/zinc/68/01/77/969680177.db2.gz KGYLEINKYXRCMR-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP CCOC(=O)[C@H](C)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254507481 969681421 /nfs/dbraw/zinc/68/14/21/969681421.db2.gz BZYUPYXCRIVGBS-NEPJUHHUSA-N 2 1 242.363 1.260 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001254515696 969689743 /nfs/dbraw/zinc/68/97/43/969689743.db2.gz AZOZPRRXHWTLDN-XQQFMLRXSA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001254515696 969689749 /nfs/dbraw/zinc/68/97/49/969689749.db2.gz AZOZPRRXHWTLDN-XQQFMLRXSA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001254515696 969689758 /nfs/dbraw/zinc/68/97/58/969689758.db2.gz AZOZPRRXHWTLDN-XQQFMLRXSA-N 2 1 244.354 1.266 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001254518112 969695032 /nfs/dbraw/zinc/69/50/32/969695032.db2.gz ATHJEMQQSJCTMP-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001254518112 969695037 /nfs/dbraw/zinc/69/50/37/969695037.db2.gz ATHJEMQQSJCTMP-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001254518112 969695044 /nfs/dbraw/zinc/69/50/44/969695044.db2.gz ATHJEMQQSJCTMP-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H](O)C2)CC1 ZINC001254517288 969699842 /nfs/dbraw/zinc/69/98/42/969699842.db2.gz UATRGTGFXYZSNS-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001254517288 969699849 /nfs/dbraw/zinc/69/98/49/969699849.db2.gz UATRGTGFXYZSNS-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001254517288 969699855 /nfs/dbraw/zinc/69/98/55/969699855.db2.gz UATRGTGFXYZSNS-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1CCC[NH+](C)CC1 ZINC001254520571 969701641 /nfs/dbraw/zinc/70/16/41/969701641.db2.gz OGUCMWVPOMKTOC-BFHYXJOUSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CCC[N@H+](C)CC1 ZINC001254520571 969701648 /nfs/dbraw/zinc/70/16/48/969701648.db2.gz OGUCMWVPOMKTOC-BFHYXJOUSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254520571 969701656 /nfs/dbraw/zinc/70/16/56/969701656.db2.gz OGUCMWVPOMKTOC-BFHYXJOUSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001254519702 969702422 /nfs/dbraw/zinc/70/24/22/969702422.db2.gz KBWMCTUUHYLTEJ-YNEHKIRRSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001254519702 969702429 /nfs/dbraw/zinc/70/24/29/969702429.db2.gz KBWMCTUUHYLTEJ-YNEHKIRRSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001254519702 969702435 /nfs/dbraw/zinc/70/24/35/969702435.db2.gz KBWMCTUUHYLTEJ-YNEHKIRRSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+](CC1(C)COC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254523551 969710767 /nfs/dbraw/zinc/71/07/67/969710767.db2.gz PAKJQFCNRKIYPV-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC1(C)COC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254523551 969710781 /nfs/dbraw/zinc/71/07/81/969710781.db2.gz PAKJQFCNRKIYPV-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)[C@H](C)CO1 ZINC001254528516 969714969 /nfs/dbraw/zinc/71/49/69/969714969.db2.gz GKMDUCQIYIZRRB-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)[C@H](C)CO1 ZINC001254528516 969714980 /nfs/dbraw/zinc/71/49/80/969714980.db2.gz GKMDUCQIYIZRRB-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)[C@H](C)CO1 ZINC001254528516 969714984 /nfs/dbraw/zinc/71/49/84/969714984.db2.gz GKMDUCQIYIZRRB-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)[C@H](C)CO1 ZINC001254528516 969714988 /nfs/dbraw/zinc/71/49/88/969714988.db2.gz GKMDUCQIYIZRRB-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@H](C)O1 ZINC001254525738 969716808 /nfs/dbraw/zinc/71/68/08/969716808.db2.gz LSMRUYUEHYVELG-AVGNSLFASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@H](C)O1 ZINC001254525738 969716818 /nfs/dbraw/zinc/71/68/18/969716818.db2.gz LSMRUYUEHYVELG-AVGNSLFASA-N 2 1 226.364 1.580 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1C1CCOCC1 ZINC001255038588 969861001 /nfs/dbraw/zinc/86/10/01/969861001.db2.gz NRJGFMSPZISPLR-UHFFFAOYSA-N 2 1 209.293 1.126 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2cccnc2C[NH3+])C1 ZINC001255475329 970206003 /nfs/dbraw/zinc/20/60/03/970206003.db2.gz OLZUGERPWYUFAU-JTQLQIEISA-N 2 1 220.320 1.046 20 0 BDADMP C[N@H+]1CCC[C@@H](n2cccc2CC[NH3+])C1 ZINC001255473722 970206041 /nfs/dbraw/zinc/20/60/41/970206041.db2.gz XEOIQQQXABFNQL-GFCCVEGCSA-N 2 1 207.321 1.256 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255527395 970289453 /nfs/dbraw/zinc/28/94/53/970289453.db2.gz LYOFMSYLYZUBBK-VIFPVBQESA-N 2 1 200.326 1.271 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cncn1C ZINC001255941453 970570060 /nfs/dbraw/zinc/57/00/60/970570060.db2.gz RHTDNEUBSLKVMZ-LBPRGKRZSA-N 2 1 238.379 1.630 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)CN(C)C ZINC001255943415 970579535 /nfs/dbraw/zinc/57/95/35/970579535.db2.gz MIHQVUAJECTXBN-CHWSQXEVSA-N 2 1 229.412 1.647 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C(COC)COC ZINC001255947733 970580068 /nfs/dbraw/zinc/58/00/68/970580068.db2.gz WMRXSYUPJUNHJD-GFCCVEGCSA-N 2 1 246.395 1.358 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H](C)C[C@H]1CO ZINC001255956480 970597284 /nfs/dbraw/zinc/59/72/84/970597284.db2.gz KHZRIUNIVUFSQQ-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)[C@H]1CCOC1 ZINC001255964419 970602756 /nfs/dbraw/zinc/60/27/56/970602756.db2.gz SAZXTUJMYBUWLG-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CN1CCC([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001256207571 970712896 /nfs/dbraw/zinc/71/28/96/970712896.db2.gz NNMAPNYFRNTIIO-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC001256207571 970712902 /nfs/dbraw/zinc/71/29/02/970712902.db2.gz NNMAPNYFRNTIIO-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001256207571 970712905 /nfs/dbraw/zinc/71/29/05/970712905.db2.gz NNMAPNYFRNTIIO-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP CC[N@@H+](CCn1ccnc1)C1CCN(C)CC1 ZINC001256211525 970721645 /nfs/dbraw/zinc/72/16/45/970721645.db2.gz YZQHOUKSXZPWIY-UHFFFAOYSA-N 2 1 236.363 1.299 20 0 BDADMP Cc1[nH+]c(C)n(C[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC001334102262 976302038 /nfs/dbraw/zinc/30/20/38/976302038.db2.gz USCYJUHGTWPBGD-ZDUSSCGKSA-N 2 1 237.347 1.263 20 0 BDADMP CC(C)[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277798921 978664824 /nfs/dbraw/zinc/66/48/24/978664824.db2.gz FKWAAYGQISTMLX-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC001206542139 979647908 /nfs/dbraw/zinc/64/79/08/979647908.db2.gz SETURLQEQVSHPP-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206541715 979641604 /nfs/dbraw/zinc/64/16/04/979641604.db2.gz IFLYDCLYPCQZSA-ZIAGYGMSSA-N 3 1 239.407 1.437 20 0 BDADMP OCCCCC[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236632889 979683930 /nfs/dbraw/zinc/68/39/30/979683930.db2.gz CFYPBQMUVNTGAM-UHFFFAOYSA-N 2 1 240.391 1.756 20 0 BDADMP C[N@H+](CC1CCOCC1)C1CC[NH+](C)CC1 ZINC001202541367 983926466 /nfs/dbraw/zinc/92/64/66/983926466.db2.gz WOEJZQAOCASOGE-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](CC1CCOCC1)C1CC[NH+](C)CC1 ZINC001202541367 983926490 /nfs/dbraw/zinc/92/64/90/983926490.db2.gz WOEJZQAOCASOGE-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172434420 974721262 /nfs/dbraw/zinc/72/12/62/974721262.db2.gz WGTRSKQNEWMXMP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](CC(C)C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001172388855 974737703 /nfs/dbraw/zinc/73/77/03/974737703.db2.gz IMMGRGPQOKADCB-NWDGAFQWSA-N 2 1 244.379 1.681 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001172434877 974737182 /nfs/dbraw/zinc/73/71/82/974737182.db2.gz VNQYHKFSWQERJZ-GHMZBOCLSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001172434877 974737190 /nfs/dbraw/zinc/73/71/90/974737190.db2.gz VNQYHKFSWQERJZ-GHMZBOCLSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001172444141 974805722 /nfs/dbraw/zinc/80/57/22/974805722.db2.gz IZSHLEXUWHZMKO-ZDUSSCGKSA-N 2 1 246.395 1.094 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CCO1 ZINC001246545319 972630346 /nfs/dbraw/zinc/63/03/46/972630346.db2.gz BFXKEIXTBAJZEP-UPJWGTAASA-N 2 1 244.354 1.707 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545567 972633509 /nfs/dbraw/zinc/63/35/09/972633509.db2.gz BVEDIIXGIDYQHZ-QWRGUYRKSA-N 2 1 218.316 1.174 20 0 BDADMP CCCC[C@@H](CC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246641555 973062984 /nfs/dbraw/zinc/06/29/84/973062984.db2.gz JBAFKBNWPNZEED-KGLIPLIRSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246980453 973722998 /nfs/dbraw/zinc/72/29/98/973722998.db2.gz IURSQQVKFRROBJ-GXTWGEPZSA-N 2 1 239.407 1.672 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnccn3)(C1)CCC2 ZINC001276731998 970876296 /nfs/dbraw/zinc/87/62/96/970876296.db2.gz JXGWNYVWCLDLJV-UONOGXRCSA-N 2 1 246.358 1.631 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCOCC2)CCC1(F)F ZINC000403217077 970897751 /nfs/dbraw/zinc/89/77/51/970897751.db2.gz GWUWZQMOOXQEKH-LLVKDONJSA-N 2 1 248.317 1.329 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCC1(F)F ZINC000403280769 970901092 /nfs/dbraw/zinc/90/10/92/970901092.db2.gz NWCCWJPDTIPMFP-GHMZBOCLSA-N 2 1 248.317 1.471 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CCC1(F)F ZINC000403280769 970901097 /nfs/dbraw/zinc/90/10/97/970901097.db2.gz NWCCWJPDTIPMFP-GHMZBOCLSA-N 2 1 248.317 1.471 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256786735 970988019 /nfs/dbraw/zinc/98/80/19/970988019.db2.gz LQUWMRVSWGOKJO-QLFBSQMISA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256786735 970988027 /nfs/dbraw/zinc/98/80/27/970988027.db2.gz LQUWMRVSWGOKJO-QLFBSQMISA-N 2 1 246.354 1.940 20 0 BDADMP C[C@H](CO)C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898958 971012565 /nfs/dbraw/zinc/01/25/65/971012565.db2.gz BDSJBRVLIFKIPZ-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](CO)C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898958 971012584 /nfs/dbraw/zinc/01/25/84/971012584.db2.gz BDSJBRVLIFKIPZ-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)(C[NH3+])N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898564 971013557 /nfs/dbraw/zinc/01/35/57/971013557.db2.gz NGCZZZUCRJALAX-GFCCVEGCSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H](CCO)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898736 971013637 /nfs/dbraw/zinc/01/36/37/971013637.db2.gz OWCFIGBGKMODNJ-STQMWFEESA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H](CCO)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898736 971013646 /nfs/dbraw/zinc/01/36/46/971013646.db2.gz OWCFIGBGKMODNJ-STQMWFEESA-N 2 1 240.391 1.754 20 0 BDADMP [NH3+]CC1(N[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256908378 971023590 /nfs/dbraw/zinc/02/35/90/971023590.db2.gz KJBCDSFHWUWVRX-GFCCVEGCSA-N 2 1 237.391 1.474 20 0 BDADMP C[C@@H](C[NH3+])CN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256910401 971021514 /nfs/dbraw/zinc/02/15/14/971021514.db2.gz ZFQDKGGBFGRYCZ-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP C[NH+](C)Cc1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243948365 971034339 /nfs/dbraw/zinc/03/43/39/971034339.db2.gz CKWGTJLPMRHFFT-UHFFFAOYSA-N 2 1 217.316 1.868 20 0 BDADMP C[C@H]1CC([N@H+]2CCc3[nH+]ccn3CC2)C[C@H](C)O1 ZINC001257098832 971111801 /nfs/dbraw/zinc/11/18/01/971111801.db2.gz IDEUDYFOVHELLR-RYUDHWBXSA-N 2 1 249.358 1.697 20 0 BDADMP C[C@H]1CC([N@@H+]2CCc3[nH+]ccn3CC2)C[C@H](C)O1 ZINC001257098832 971111805 /nfs/dbraw/zinc/11/18/05/971111805.db2.gz IDEUDYFOVHELLR-RYUDHWBXSA-N 2 1 249.358 1.697 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]CC2CC(=O)C2)CC1 ZINC001257206559 971126152 /nfs/dbraw/zinc/12/61/52/971126152.db2.gz ZPBBEJRVQDNXPM-UHFFFAOYSA-N 2 1 224.348 1.428 20 0 BDADMP C[N@H+]([C@@H]1COC(C)(C)C1)C(C)(C)C[NH3+] ZINC000307139384 971123817 /nfs/dbraw/zinc/12/38/17/971123817.db2.gz BAJRNABZUIIICK-VIFPVBQESA-N 2 1 200.326 1.223 20 0 BDADMP C[N@@H+]([C@@H]1COC(C)(C)C1)C(C)(C)C[NH3+] ZINC000307139384 971123818 /nfs/dbraw/zinc/12/38/18/971123818.db2.gz BAJRNABZUIIICK-VIFPVBQESA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)N1CCC([N@H+]2CC[C@@](C)(O)C2)CC1 ZINC001257215149 971132360 /nfs/dbraw/zinc/13/23/60/971132360.db2.gz TUTNXDUNEDVYMP-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC001257215149 971132365 /nfs/dbraw/zinc/13/23/65/971132365.db2.gz TUTNXDUNEDVYMP-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[C@H](CC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001257250229 971143691 /nfs/dbraw/zinc/14/36/91/971143691.db2.gz KMIDZQQDTNLZAT-UONOGXRCSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C12CCC2 ZINC000405222618 971213354 /nfs/dbraw/zinc/21/33/54/971213354.db2.gz NFOLSOXBKAOUMV-SYQHCUMBSA-N 2 1 249.402 1.473 20 0 BDADMP CCc1ccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]c1 ZINC001170570781 971214315 /nfs/dbraw/zinc/21/43/15/971214315.db2.gz LBWSZUKMWIZDAP-CMPLNLGQSA-N 2 1 235.331 1.433 20 0 BDADMP CC(C)N1CC(OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224821130 974006946 /nfs/dbraw/zinc/00/69/46/974006946.db2.gz ZLRYSVNMESOGKK-NSHDSACASA-N 2 1 212.337 1.190 20 0 BDADMP CC(C)[NH+]1CC(OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224821130 974006960 /nfs/dbraw/zinc/00/69/60/974006960.db2.gz ZLRYSVNMESOGKK-NSHDSACASA-N 2 1 212.337 1.190 20 0 BDADMP CC(C)[NH+]1CC(OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224821130 974006975 /nfs/dbraw/zinc/00/69/75/974006975.db2.gz ZLRYSVNMESOGKK-NSHDSACASA-N 2 1 212.337 1.190 20 0 BDADMP CN(C)c1cc[nH+]c(N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001158423998 971226596 /nfs/dbraw/zinc/22/65/96/971226596.db2.gz QYACCBFTYYDWHU-LBPRGKRZSA-N 2 1 232.331 1.042 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cnn(C)c1 ZINC000405334112 971239214 /nfs/dbraw/zinc/23/92/14/971239214.db2.gz XZNZMJLUZBXIEL-DLOVCJGASA-N 2 1 234.347 1.341 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405377423 971249878 /nfs/dbraw/zinc/24/98/78/971249878.db2.gz BTVBHCQKDSDYBP-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)C12CCC2 ZINC000405532310 971264856 /nfs/dbraw/zinc/26/48/56/971264856.db2.gz YNCXRCPTJQHPBG-MCIONIFRSA-N 2 1 246.354 1.580 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[C@](C)([NH3+])C2)c1C ZINC000405793893 971306571 /nfs/dbraw/zinc/30/65/71/971306571.db2.gz RRNCYIUPTVPKID-AWEZNQCLSA-N 2 1 249.358 1.630 20 0 BDADMP CC(C)CCc1nnc([C@@H]([NH3+])CCC[NH3+])o1 ZINC001217694696 971329565 /nfs/dbraw/zinc/32/95/65/971329565.db2.gz DOZGPFIIRICPRY-VIFPVBQESA-N 2 1 226.324 1.397 20 0 BDADMP C[C@@H]1C[C@H]1c1nnc([C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217699112 971335755 /nfs/dbraw/zinc/33/57/55/971335755.db2.gz LGMXSDIHHROQKK-HLTSFMKQSA-N 2 1 224.308 1.322 20 0 BDADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nnc(C2CC2)o1 ZINC001217724374 971368702 /nfs/dbraw/zinc/36/87/02/971368702.db2.gz JHWZDDXHUUPCKX-SNVBAGLBSA-N 2 1 236.319 1.337 20 0 BDADMP [NH3+][C@H]1CC[C@H](CO[C@H]2C[NH2+]CC2(F)F)CC1 ZINC001217844944 971440675 /nfs/dbraw/zinc/44/06/75/971440675.db2.gz RVHDSZWGFVPLFT-GUBZILKMSA-N 2 1 234.290 1.128 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](OCCC[NH3+])C1 ZINC001217908588 971508757 /nfs/dbraw/zinc/50/87/57/971508757.db2.gz JWSBSJMJYJQGOE-QWHCGFSZSA-N 2 1 249.358 1.582 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC001258004052 971554808 /nfs/dbraw/zinc/55/48/08/971554808.db2.gz AEQNKUWRNUZDJH-LBPRGKRZSA-N 3 1 227.396 1.291 20 0 BDADMP CC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154172 974317075 /nfs/dbraw/zinc/31/70/75/974317075.db2.gz HFAVTPWXGIDZIS-VHSXEESVSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154172 974317084 /nfs/dbraw/zinc/31/70/84/974317084.db2.gz HFAVTPWXGIDZIS-VHSXEESVSA-N 2 1 202.317 1.794 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206156767 974332181 /nfs/dbraw/zinc/33/21/81/974332181.db2.gz SPQTWDVJSCKKJV-RYUDHWBXSA-N 2 1 226.295 1.849 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206156767 974332194 /nfs/dbraw/zinc/33/21/94/974332194.db2.gz SPQTWDVJSCKKJV-RYUDHWBXSA-N 2 1 226.295 1.849 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113644 974380496 /nfs/dbraw/zinc/38/04/96/974380496.db2.gz DZVLTJTXYQIRTR-RVMXOQNASA-N 3 1 225.380 1.186 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223246 974455501 /nfs/dbraw/zinc/45/55/01/974455501.db2.gz BEVQPIPVEKDESS-YHWZYXNKSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224447 974460328 /nfs/dbraw/zinc/46/03/28/974460328.db2.gz PUHMMQXRPVFUDI-WAAKLRNESA-N 2 1 212.337 1.223 20 0 BDADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCOCC3)C[C@@H]21 ZINC001170832575 971942883 /nfs/dbraw/zinc/94/28/83/971942883.db2.gz BFVQGSRYXSMNRK-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001170832159 971941503 /nfs/dbraw/zinc/94/15/03/971941503.db2.gz WGEIVAYLXAREKH-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[C@@H]([NH3+])CCNc1cc(Cl)cc(N)[nH+]1 ZINC001170888800 972043370 /nfs/dbraw/zinc/04/33/70/972043370.db2.gz DBTMIYKLMMHPNJ-ZCFIWIBFSA-N 2 1 214.700 1.466 20 0 BDADMP Cc1cc(N[C@H]([NH3+])CCC[NH3+])c2[nH+]ccn2c1 ZINC001170901240 972068252 /nfs/dbraw/zinc/06/82/52/972068252.db2.gz XIUXOPVBLQRXBA-NSHDSACASA-N 3 1 233.319 1.078 20 0 BDADMP CC[C@]([NH3+])(CO)Nc1cc2[nH]ccc2c[nH+]1 ZINC001159743358 972095748 /nfs/dbraw/zinc/09/57/48/972095748.db2.gz DGAGFABTERVHKW-LLVKDONJSA-N 2 1 220.276 1.032 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246102049 972160455 /nfs/dbraw/zinc/16/04/55/972160455.db2.gz QSIVZQNREIEBCY-FRRDWIJNSA-N 3 1 225.380 1.249 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCSC2)[NH2+]C1 ZINC001246102357 972161063 /nfs/dbraw/zinc/16/10/63/972161063.db2.gz DFTZALFFSIXBJC-UTUOFQBUSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246102064 972161328 /nfs/dbraw/zinc/16/13/28/972161328.db2.gz QSIVZQNREIEBCY-UPJWGTAASA-N 3 1 225.380 1.249 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114479 972179511 /nfs/dbraw/zinc/17/95/11/972179511.db2.gz WQOOWWMCIZZXSF-YVECIDJPSA-N 3 1 225.380 1.105 20 0 BDADMP C1CC12C[NH2+]C[C@@H]2N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246131372 972187905 /nfs/dbraw/zinc/18/79/05/972187905.db2.gz JNRLLFPVMWIBPQ-MELADBBJSA-N 2 1 249.402 1.250 20 0 BDADMP C1CC12C[NH2+]C[C@H]2N[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131424 972189284 /nfs/dbraw/zinc/18/92/84/972189284.db2.gz JWDQGGLXZYBEQF-CHWSQXEVSA-N 2 1 249.402 1.250 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1C[NH2+]CC13CC3)C2 ZINC001246134128 972190776 /nfs/dbraw/zinc/19/07/76/972190776.db2.gz PIDGXXVXDKIMEK-FQUUOJAGSA-N 2 1 249.402 1.343 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186721 972212533 /nfs/dbraw/zinc/21/25/33/972212533.db2.gz GXNFPKQVVZLGOE-QJPTWQEYSA-N 2 1 240.347 1.060 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246199151 972214957 /nfs/dbraw/zinc/21/49/57/972214957.db2.gz JDNRTJROLKEMOC-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC000705288404 957070391 /nfs/dbraw/zinc/07/03/91/957070391.db2.gz HTDBGYGSGUGOQW-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC000705288404 957070397 /nfs/dbraw/zinc/07/03/97/957070397.db2.gz HTDBGYGSGUGOQW-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC000705288404 957070410 /nfs/dbraw/zinc/07/04/10/957070410.db2.gz HTDBGYGSGUGOQW-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC000705288404 957070422 /nfs/dbraw/zinc/07/04/22/957070422.db2.gz HTDBGYGSGUGOQW-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOCC3)C1 ZINC001208606367 957086153 /nfs/dbraw/zinc/08/61/53/957086153.db2.gz FFMLASOYGWJNRG-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001208606057 957092247 /nfs/dbraw/zinc/09/22/47/957092247.db2.gz DKWBBFSSBSORBS-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001208606057 957092249 /nfs/dbraw/zinc/09/22/49/957092249.db2.gz DKWBBFSSBSORBS-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CC1(C)C[C@@H](n2c[nH+]cc2CC[NH3+])CO1 ZINC000396665401 957157920 /nfs/dbraw/zinc/15/79/20/957157920.db2.gz QCFLPXXEEYIKQR-SNVBAGLBSA-N 2 1 209.293 1.124 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246303576 972265010 /nfs/dbraw/zinc/26/50/10/972265010.db2.gz ITICMZZVUBFDIE-QJPTWQEYSA-N 3 1 227.396 1.480 20 0 BDADMP Nc1cc[nH+]cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001209729714 957525596 /nfs/dbraw/zinc/52/55/96/957525596.db2.gz AKLAIQHIMUOFDG-CYBMUJFWSA-N 2 1 246.358 1.164 20 0 BDADMP C[NH+](C)Cc1cccc(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001167275698 957620826 /nfs/dbraw/zinc/62/08/26/957620826.db2.gz ULCZIYUXMJROHL-LBPRGKRZSA-N 2 1 234.347 1.259 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cncn2C2CCC2)CC[NH2+]1 ZINC001246389320 972306876 /nfs/dbraw/zinc/30/68/76/972306876.db2.gz AKKXLZVGEYEKAM-RYUDHWBXSA-N 2 1 248.374 1.838 20 0 BDADMP Fc1cccc2c1C[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246442256 972313388 /nfs/dbraw/zinc/31/33/88/972313388.db2.gz CMRRQOYZFBDZST-ZWNOBZJWSA-N 2 1 232.302 1.244 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C[C@@H]1C ZINC001246455071 972323125 /nfs/dbraw/zinc/32/31/25/972323125.db2.gz WREYYBAKFBUKSE-HZSPNIEDSA-N 3 1 241.423 1.729 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000723074567 958166590 /nfs/dbraw/zinc/16/65/90/958166590.db2.gz WAMHBHCFYFNTNC-XQHKEYJVSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000723074567 958166597 /nfs/dbraw/zinc/16/65/97/958166597.db2.gz WAMHBHCFYFNTNC-XQHKEYJVSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000723117633 958250283 /nfs/dbraw/zinc/25/02/83/958250283.db2.gz IAYCMOYTEVUDIU-VOAKCMCISA-N 2 1 208.349 1.716 20 0 BDADMP CCSC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000706965235 958312393 /nfs/dbraw/zinc/31/23/93/958312393.db2.gz WAUPCRCCAXJSSK-UWVGGRQHSA-N 2 1 204.383 1.655 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C[NH2+]1 ZINC000399005650 958485209 /nfs/dbraw/zinc/48/52/09/958485209.db2.gz XVGCFUMGXGSNCV-PSASIEDQSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@@H]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC000399027810 958492126 /nfs/dbraw/zinc/49/21/26/958492126.db2.gz IBQLZKHZFJXZLF-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486101 972353961 /nfs/dbraw/zinc/35/39/61/972353961.db2.gz CSNOMQURKIPJLE-MJBXVCDLSA-N 2 1 241.423 1.598 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000724151258 958737357 /nfs/dbraw/zinc/73/73/57/958737357.db2.gz FMWDBTXGVBMVJR-RYUDHWBXSA-N 2 1 212.337 1.095 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207276065 958845257 /nfs/dbraw/zinc/84/52/57/958845257.db2.gz TXXFAGBZYPOGSF-GFCCVEGCSA-N 2 1 228.380 1.543 20 0 BDADMP CCSCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000690738099 958857415 /nfs/dbraw/zinc/85/74/15/958857415.db2.gz MXYSUVBYPDGYCA-SNVBAGLBSA-N 2 1 202.367 1.410 20 0 BDADMP CO[C@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246524305 972386073 /nfs/dbraw/zinc/38/60/73/972386073.db2.gz HLZIONBTFCMJSJ-WOPDTQHZSA-N 2 1 212.337 1.238 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000690753565 959225547 /nfs/dbraw/zinc/22/55/47/959225547.db2.gz DULKPFLNRAKJCF-VIFPVBQESA-N 2 1 211.334 1.314 20 0 BDADMP CSCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231619 972413898 /nfs/dbraw/zinc/41/38/98/972413898.db2.gz OEUJPOPEIJSWSK-LBPRGKRZSA-N 2 1 228.405 1.958 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000300357152 959376420 /nfs/dbraw/zinc/37/64/20/959376420.db2.gz VKHAWIJOKKCWGO-WYUUTHIRSA-N 2 1 228.405 1.668 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000405234837 959425158 /nfs/dbraw/zinc/42/51/58/959425158.db2.gz DBOMOSJGDYDUFM-NWDGAFQWSA-N 2 1 234.347 1.263 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2CCc3ncsc3C2)C1 ZINC001246528821 972428835 /nfs/dbraw/zinc/42/88/35/972428835.db2.gz IGPKMIWGYMVTRK-BXKDBHETSA-N 2 1 237.372 1.424 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCc3ncsc3C2)C1 ZINC001246528821 972428848 /nfs/dbraw/zinc/42/88/48/972428848.db2.gz IGPKMIWGYMVTRK-BXKDBHETSA-N 2 1 237.372 1.424 20 0 BDADMP COC(=O)C1CCC([N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001246531686 972454026 /nfs/dbraw/zinc/45/40/26/972454026.db2.gz SAJSNZWNTKDRPL-XIVSLSHWSA-N 2 1 240.347 1.141 20 0 BDADMP COC1(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CCCC1 ZINC000692478695 959751363 /nfs/dbraw/zinc/75/13/63/959751363.db2.gz LLIBOXXPLVYVFP-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP COC[C@H](C[N@@H+](C)C1(C[NH3+])CCCCC1)OC ZINC000694659124 959954170 /nfs/dbraw/zinc/95/41/70/959954170.db2.gz GEUROTIRCLZNDC-LBPRGKRZSA-N 2 1 244.379 1.241 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000692491069 960027460 /nfs/dbraw/zinc/02/74/60/960027460.db2.gz ITZFLARZFDWZBU-UHFFFAOYSA-N 2 1 234.347 1.216 20 0 BDADMP F[C@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436298 960081710 /nfs/dbraw/zinc/08/17/10/960081710.db2.gz BEAHPTLMNUCEFT-LBPRGKRZSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC001207436821 960088712 /nfs/dbraw/zinc/08/87/12/960088712.db2.gz QSPNCKPXGVHCRG-KOLCDFICSA-N 2 1 200.301 1.276 20 0 BDADMP C[C@]1(CO)CC(F)(F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436554 960089695 /nfs/dbraw/zinc/08/96/95/960089695.db2.gz OFBJGURIIVGPCP-LLVKDONJSA-N 2 1 248.317 1.078 20 0 BDADMP C[C@]1(CO)CC(F)(F)C[N@H+]1CC1CC[NH2+]CC1 ZINC001207436554 960089702 /nfs/dbraw/zinc/08/97/02/960089702.db2.gz OFBJGURIIVGPCP-LLVKDONJSA-N 2 1 248.317 1.078 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccncn2)C1 ZINC000309332238 960270750 /nfs/dbraw/zinc/27/07/50/960270750.db2.gz JCGHEYGSJHBDRS-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccncn2)C1 ZINC000309332238 960270758 /nfs/dbraw/zinc/27/07/58/960270758.db2.gz JCGHEYGSJHBDRS-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP Cc1cnc(C[NH+]2CCC([C@H](C)[NH3+])CC2)nc1 ZINC000692603351 960333323 /nfs/dbraw/zinc/33/33/23/960333323.db2.gz YNICNWMAHJWLEA-NSHDSACASA-N 2 1 234.347 1.344 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000695699156 960381866 /nfs/dbraw/zinc/38/18/66/960381866.db2.gz PXGBBJGLYRROJR-GFCCVEGCSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000695699156 960381872 /nfs/dbraw/zinc/38/18/72/960381872.db2.gz PXGBBJGLYRROJR-GFCCVEGCSA-N 2 1 208.349 1.990 20 0 BDADMP C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CO ZINC000709302908 960495377 /nfs/dbraw/zinc/49/53/77/960495377.db2.gz RNTVVLUHOHUXKQ-YIPFDTCYSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1O ZINC001140802515 960586218 /nfs/dbraw/zinc/58/62/18/960586218.db2.gz XNQOQCZCPIGTLU-QMTHXVAHSA-N 2 1 245.326 1.766 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1O ZINC001140802515 960586236 /nfs/dbraw/zinc/58/62/36/960586236.db2.gz XNQOQCZCPIGTLU-QMTHXVAHSA-N 2 1 245.326 1.766 20 0 BDADMP COC(=O)CC[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805888 960602490 /nfs/dbraw/zinc/60/24/90/960602490.db2.gz PUIWNTLZDUHJHC-UHFFFAOYSA-N 2 1 247.298 1.558 20 0 BDADMP COC(=O)CC[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805888 960602503 /nfs/dbraw/zinc/60/25/03/960602503.db2.gz PUIWNTLZDUHJHC-UHFFFAOYSA-N 2 1 247.298 1.558 20 0 BDADMP COC[C@H]1CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806500 960603631 /nfs/dbraw/zinc/60/36/31/960603631.db2.gz KWOYPMMITUPMQP-LLVKDONJSA-N 2 1 231.299 1.784 20 0 BDADMP COC[C@H]1CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806500 960603647 /nfs/dbraw/zinc/60/36/47/960603647.db2.gz KWOYPMMITUPMQP-LLVKDONJSA-N 2 1 231.299 1.784 20 0 BDADMP CSCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000709482740 960621728 /nfs/dbraw/zinc/62/17/28/960621728.db2.gz MIEGQKFOQJBKHW-MNOVXSKESA-N 2 1 216.394 1.669 20 0 BDADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n(C)n1 ZINC000709505503 960625594 /nfs/dbraw/zinc/62/55/94/960625594.db2.gz UCXIVBQPFZVSJS-FOSCPWQOSA-N 2 1 234.347 1.101 20 0 BDADMP Cc1ccccc1NC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC001327255145 972520924 /nfs/dbraw/zinc/52/09/24/972520924.db2.gz LBNCLOWJGFBHHK-NSHDSACASA-N 2 1 234.347 1.881 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925725658 960820052 /nfs/dbraw/zinc/82/00/52/960820052.db2.gz MIAWHRAPTPDJAD-CYDGBPFRSA-N 3 1 225.380 1.234 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(O)cn2)C1 ZINC001206632174 962123574 /nfs/dbraw/zinc/12/35/74/962123574.db2.gz GRKZPCXXCNLANK-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(O)cn2)C1 ZINC001206632174 962123592 /nfs/dbraw/zinc/12/35/92/962123592.db2.gz GRKZPCXXCNLANK-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP CC(C)CC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152445398 962425622 /nfs/dbraw/zinc/42/56/22/962425622.db2.gz HGKJMOIHKQNLSI-UHFFFAOYSA-N 2 1 243.395 1.079 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711427722 962703924 /nfs/dbraw/zinc/70/39/24/962703924.db2.gz AEYMQNMSCBYVIH-NWDGAFQWSA-N 2 1 246.370 1.417 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711427722 962703943 /nfs/dbraw/zinc/70/39/43/962703943.db2.gz AEYMQNMSCBYVIH-NWDGAFQWSA-N 2 1 246.370 1.417 20 0 BDADMP O[C@H](CCc1ccccc1)C[N@@H+]1CCC[NH2+]CC1 ZINC000696331176 962811993 /nfs/dbraw/zinc/81/19/93/962811993.db2.gz LOMMATMOMUJQCG-OAHLLOKOSA-N 2 1 248.370 1.275 20 0 BDADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC000696331176 962811996 /nfs/dbraw/zinc/81/19/96/962811996.db2.gz LOMMATMOMUJQCG-OAHLLOKOSA-N 2 1 248.370 1.275 20 0 BDADMP CCCCNc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001154828369 962861469 /nfs/dbraw/zinc/86/14/69/962861469.db2.gz ZJPJABPSQYRSSN-UHFFFAOYSA-N 2 1 249.362 1.616 20 0 BDADMP Nc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]c1 ZINC001155114375 962980195 /nfs/dbraw/zinc/98/01/95/962980195.db2.gz BFRDAHNBDVTJEG-GFCCVEGCSA-N 2 1 238.310 1.558 20 0 BDADMP Nc1ccc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]c1 ZINC001155114376 962981143 /nfs/dbraw/zinc/98/11/43/962981143.db2.gz BFRDAHNBDVTJEG-LBPRGKRZSA-N 2 1 238.310 1.558 20 0 BDADMP CC1([NH3+])CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167979278 963060572 /nfs/dbraw/zinc/06/05/72/963060572.db2.gz ZHABTVAQXKYWDZ-PBWFPOADSA-N 2 1 249.402 1.425 20 0 BDADMP C[N@@H+]1CCC[C@H](CCNc2ccc(N)c[nH+]2)C1 ZINC001156377730 963326017 /nfs/dbraw/zinc/32/60/17/963326017.db2.gz CHRHLVVHWUICKU-LLVKDONJSA-N 2 1 234.347 1.808 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2ccc(N)c[nH+]2)C1 ZINC001156377730 963326030 /nfs/dbraw/zinc/32/60/30/963326030.db2.gz CHRHLVVHWUICKU-LLVKDONJSA-N 2 1 234.347 1.808 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1CN(c1ccc(N)c[nH+]1)C2 ZINC001156375508 963327256 /nfs/dbraw/zinc/32/72/56/963327256.db2.gz DPCIYHUGRRSQEU-ZWNOBZJWSA-N 2 1 232.331 1.052 20 0 BDADMP C[C@@H]1CN(c2cc(-n3ccnc3)cc[nH+]2)CC[NH2+]1 ZINC001156699484 963443094 /nfs/dbraw/zinc/44/30/94/963443094.db2.gz AQXOIKFGEQYODK-LLVKDONJSA-N 2 1 243.314 1.065 20 0 BDADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH3+])c2)C1 ZINC000082643354 963554959 /nfs/dbraw/zinc/55/49/59/963554959.db2.gz PQCMJDBLFCLPHN-LBPRGKRZSA-N 2 1 205.305 1.261 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC001168078745 963624629 /nfs/dbraw/zinc/62/46/29/963624629.db2.gz NOVIOXLJPNQALI-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CCC[N@@H+]1C[C@H]2CN(c3cc(N)cc[nH+]3)C[C@H]2C1 ZINC001157690945 963705384 /nfs/dbraw/zinc/70/53/84/963705384.db2.gz SRPAUHOPFUBIKG-TXEJJXNPSA-N 2 1 246.358 1.442 20 0 BDADMP [NH3+]C[C@@]1(F)CCN(c2ccc3c([nH+]2)CCCC3)C1 ZINC001157812540 963733410 /nfs/dbraw/zinc/73/34/10/963733410.db2.gz CGGRIMDKQGJRSC-AWEZNQCLSA-N 2 1 249.333 1.838 20 0 BDADMP [NH3+]C[C@@]1(F)CCN(c2ccc3c([nH+]2)CCC3)C1 ZINC001157812972 963734296 /nfs/dbraw/zinc/73/42/96/963734296.db2.gz NEXUYXCELKISEG-ZDUSSCGKSA-N 2 1 235.306 1.447 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCO[C@H](C)C2)CC1 ZINC001168128772 963806610 /nfs/dbraw/zinc/80/66/10/963806610.db2.gz UJDJNAMPDSSCFE-OCCSQVGLSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@H](C)C2)CC1 ZINC001168128772 963806613 /nfs/dbraw/zinc/80/66/13/963806613.db2.gz UJDJNAMPDSSCFE-OCCSQVGLSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001168139485 963843185 /nfs/dbraw/zinc/84/31/85/963843185.db2.gz TVWHBCUFUOPPIJ-NDBYEHHHSA-N 2 1 224.348 1.047 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCO1 ZINC001168139485 963843189 /nfs/dbraw/zinc/84/31/89/963843189.db2.gz TVWHBCUFUOPPIJ-NDBYEHHHSA-N 2 1 224.348 1.047 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCO1 ZINC001168139485 963843195 /nfs/dbraw/zinc/84/31/95/963843195.db2.gz TVWHBCUFUOPPIJ-NDBYEHHHSA-N 2 1 224.348 1.047 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001168139488 963843374 /nfs/dbraw/zinc/84/33/74/963843374.db2.gz TVWHBCUFUOPPIJ-WUHRBBMRSA-N 2 1 224.348 1.047 20 0 BDADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCO1 ZINC001168139488 963843384 /nfs/dbraw/zinc/84/33/84/963843384.db2.gz TVWHBCUFUOPPIJ-WUHRBBMRSA-N 2 1 224.348 1.047 20 0 BDADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCO1 ZINC001168139488 963843398 /nfs/dbraw/zinc/84/33/98/963843398.db2.gz TVWHBCUFUOPPIJ-WUHRBBMRSA-N 2 1 224.348 1.047 20 0 BDADMP COC[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168314471 964418485 /nfs/dbraw/zinc/41/84/85/964418485.db2.gz LZCXSXYFKFBTOP-HSBZDZAISA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)C1CCC([NH+]2C[C@@H](F)[C@H](F)C2)CC1 ZINC001168314418 964419064 /nfs/dbraw/zinc/41/90/64/964419064.db2.gz KWFZSYATFDXMGY-KIDURHIOSA-N 2 1 232.318 1.851 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC001168316434 964432933 /nfs/dbraw/zinc/43/29/33/964432933.db2.gz YQNSWEOQJVBOOT-IFWUJCSASA-N 2 1 225.380 1.329 20 0 BDADMP COc1cc[nH+]c(NCC[C@H]2CCC[N@H+]2C)c1 ZINC001160966399 964459585 /nfs/dbraw/zinc/45/95/85/964459585.db2.gz FQKRDWMJOULOPL-LLVKDONJSA-N 2 1 235.331 1.986 20 0 BDADMP COC(=O)CC[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168329231 964463084 /nfs/dbraw/zinc/46/30/84/964463084.db2.gz QWKGLBVIMHYMEE-UHFFFAOYSA-N 2 1 242.363 1.354 20 0 BDADMP Cc1cc2c(nc[nH+]c2NC/C=C/C[NH3+])[nH]1 ZINC001160977465 964466587 /nfs/dbraw/zinc/46/65/87/964466587.db2.gz XZDFKRTXGHLTJH-NSCUHMNNSA-N 2 1 217.276 1.193 20 0 BDADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cn1 ZINC000697920303 964683623 /nfs/dbraw/zinc/68/36/23/964683623.db2.gz NHMCOIAXMBOOAK-NSHDSACASA-N 2 1 237.347 1.520 20 0 BDADMP COC[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000042519568 964813861 /nfs/dbraw/zinc/81/38/61/964813861.db2.gz WICKTHKIJAJWPU-NSHDSACASA-N 2 1 202.342 1.472 20 0 BDADMP C[N@H+]1CCCC[C@H]1CO[C@@H]1C[NH+]2CCC1CC2 ZINC001224700894 964886246 /nfs/dbraw/zinc/88/62/46/964886246.db2.gz BVPHTCKMTDXHIU-UONOGXRCSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@@](C)(Nc2cccc(N)[nH+]2)C1 ZINC001162341379 964939366 /nfs/dbraw/zinc/93/93/66/964939366.db2.gz LVWQFBUSLANBPF-GFCCVEGCSA-N 2 1 220.320 1.560 20 0 BDADMP C[N@@H+]1CCC[C@@](C)(Nc2cccc(N)[nH+]2)C1 ZINC001162341379 964939363 /nfs/dbraw/zinc/93/93/63/964939363.db2.gz LVWQFBUSLANBPF-GFCCVEGCSA-N 2 1 220.320 1.560 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](OC[C@@H]1CCC[N@@H+]1C)C2 ZINC001224817959 964990893 /nfs/dbraw/zinc/99/08/93/964990893.db2.gz FBPBKKJAPAILIH-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001224817959 964990908 /nfs/dbraw/zinc/99/09/08/964990908.db2.gz FBPBKKJAPAILIH-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224817959 964990918 /nfs/dbraw/zinc/99/09/18/964990918.db2.gz FBPBKKJAPAILIH-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCOC(C)(C)C ZINC000689896541 965066869 /nfs/dbraw/zinc/06/68/69/965066869.db2.gz UWLMDTKEVDMXAY-NEPJUHHUSA-N 2 1 228.380 1.589 20 0 BDADMP C[C@H]1[NH2+]CC[C@H]1Nc1ccc2[nH]c[nH+]c2c1 ZINC001162675964 965108788 /nfs/dbraw/zinc/10/87/88/965108788.db2.gz JOHYITWMUBLNGS-PSASIEDQSA-N 2 1 216.288 1.725 20 0 BDADMP C[N@@H+]1CCO[C@@H](CNc2ccc3c(c2)C[NH2+]C3)C1 ZINC001162688707 965123582 /nfs/dbraw/zinc/12/35/82/965123582.db2.gz SRJMCNUKYINQML-AWEZNQCLSA-N 2 1 247.342 1.032 20 0 BDADMP C[N@H+]1CCO[C@@H](CNc2ccc3c(c2)C[NH2+]C3)C1 ZINC001162688707 965123586 /nfs/dbraw/zinc/12/35/86/965123586.db2.gz SRJMCNUKYINQML-AWEZNQCLSA-N 2 1 247.342 1.032 20 0 BDADMP Nc1ccc[nH+]c1NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162802830 965188164 /nfs/dbraw/zinc/18/81/64/965188164.db2.gz VPNHFIOWPGBICB-IUCAKERBSA-N 2 1 224.283 1.023 20 0 BDADMP COc1[nH+]ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1N ZINC001162985050 965218356 /nfs/dbraw/zinc/21/83/56/965218356.db2.gz YWZBNULONVSHMC-GXFFZTMASA-N 2 1 248.330 1.369 20 0 BDADMP Cc1ccc[nH+]c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163305476 965324109 /nfs/dbraw/zinc/32/41/09/965324109.db2.gz MSJURDZURFKSAS-TZMCWYRMSA-N 2 1 247.342 1.713 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C(F)F)CC[N@@H+]1C ZINC000698556035 965329416 /nfs/dbraw/zinc/32/94/16/965329416.db2.gz IAISDJUMRVYRJQ-KKZNHRDASA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C(F)F)CC[N@H+]1C ZINC000698556035 965329426 /nfs/dbraw/zinc/32/94/26/965329426.db2.gz IAISDJUMRVYRJQ-KKZNHRDASA-N 2 1 236.306 1.075 20 0 BDADMP CCSCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000690738094 965344237 /nfs/dbraw/zinc/34/42/37/965344237.db2.gz MXYSUVBYPDGYCA-JTQLQIEISA-N 2 1 202.367 1.410 20 0 BDADMP Cc1cc(NC2CC2)nc(N[C@H](C)C[NH+](C)C)[nH+]1 ZINC001163770569 965573133 /nfs/dbraw/zinc/57/31/33/965573133.db2.gz NEFTZTQZSBRBDW-SNVBAGLBSA-N 2 1 249.362 1.721 20 0 BDADMP Cc1[nH]c(CN2[C@@H](C)CC[C@H]2C[NH3+])c(C)[nH+]1 ZINC001205083666 965610752 /nfs/dbraw/zinc/61/07/52/965610752.db2.gz YDAUIGKFJPRRRH-KWQFWETISA-N 2 1 222.336 1.338 20 0 BDADMP C[N@@H+](C[C@H]1CCCO1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699213076 965817600 /nfs/dbraw/zinc/81/76/00/965817600.db2.gz YPQVFOISBFUKGK-WTUNAVPPSA-N 2 1 238.375 1.628 20 0 BDADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205109691 965828975 /nfs/dbraw/zinc/82/89/75/965828975.db2.gz JJRJROANRVWWDW-CYBMUJFWSA-N 2 1 249.358 1.794 20 0 BDADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205109691 965828987 /nfs/dbraw/zinc/82/89/87/965828987.db2.gz JJRJROANRVWWDW-CYBMUJFWSA-N 2 1 249.358 1.794 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2COC[C@@H]2CC)C1 ZINC000699485286 965911625 /nfs/dbraw/zinc/91/16/25/965911625.db2.gz OEBKMRWOZVLXID-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000699529046 965942142 /nfs/dbraw/zinc/94/21/42/965942142.db2.gz ABGFJNWIVJOOBN-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000699529046 965942149 /nfs/dbraw/zinc/94/21/49/965942149.db2.gz ABGFJNWIVJOOBN-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000699533725 965946901 /nfs/dbraw/zinc/94/69/01/965946901.db2.gz PNZPTNMKYYECHX-OLZOCXBDSA-N 2 1 224.348 1.263 20 0 BDADMP [NH3+]CC1(F)CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001165263282 966010998 /nfs/dbraw/zinc/01/09/98/966010998.db2.gz VNUUSPJGLANEMM-UHFFFAOYSA-N 2 1 249.333 1.838 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncc(C3CC3)c2)C[C@H]1C[NH3+] ZINC001205151578 966063022 /nfs/dbraw/zinc/06/30/22/966063022.db2.gz WUCOHRFTEGSABS-XHDPSFHLSA-N 2 1 245.370 1.986 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980589 966196799 /nfs/dbraw/zinc/19/67/99/966196799.db2.gz QUOGYAXOUXZQST-ZFWWWQNUSA-N 2 1 249.402 1.189 20 0 BDADMP N[C@]12CC[C@H]1C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980589 966196821 /nfs/dbraw/zinc/19/68/21/966196821.db2.gz QUOGYAXOUXZQST-ZFWWWQNUSA-N 2 1 249.402 1.189 20 0 BDADMP N[C@]12CC[C@H]1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980589 966196836 /nfs/dbraw/zinc/19/68/36/966196836.db2.gz QUOGYAXOUXZQST-ZFWWWQNUSA-N 2 1 249.402 1.189 20 0 BDADMP [NH3+][C@]12CC[C@H]1CN(CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980589 966196850 /nfs/dbraw/zinc/19/68/50/966196850.db2.gz QUOGYAXOUXZQST-ZFWWWQNUSA-N 2 1 249.402 1.189 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@H+](CC1Cc3ccccc3C1)C2 ZINC001236014174 966220535 /nfs/dbraw/zinc/22/05/35/966220535.db2.gz GJMQWZAUYHEKEP-HUUCEWRRSA-N 2 1 228.339 1.434 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](CC1Cc3ccccc3C1)C2 ZINC001236014174 966220552 /nfs/dbraw/zinc/22/05/52/966220552.db2.gz GJMQWZAUYHEKEP-HUUCEWRRSA-N 2 1 228.339 1.434 20 0 BDADMP CC[N@H+](CCCCCC[NH3+])[C@H]1CCCNC1 ZINC001236004062 966224190 /nfs/dbraw/zinc/22/41/90/966224190.db2.gz CGKHFHUSQFNVBN-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP CC[N@@H+](CCCCCC[NH3+])[C@H]1CCCNC1 ZINC001236004062 966224210 /nfs/dbraw/zinc/22/42/10/966224210.db2.gz CGKHFHUSQFNVBN-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP Cc1ccccc1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206711854 966258154 /nfs/dbraw/zinc/25/81/54/966258154.db2.gz PJGSLDLIOYYHGG-UHFFFAOYSA-N 2 1 204.317 1.776 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1-n1ccnc1CC[NH3+] ZINC001166350789 966272018 /nfs/dbraw/zinc/27/20/18/966272018.db2.gz BPISGEVABGJHRP-UHFFFAOYSA-N 2 1 245.330 1.143 20 0 BDADMP COC1CCC(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236170274 966287022 /nfs/dbraw/zinc/28/70/22/966287022.db2.gz UMDHHUUSERZNQR-MOENNCHZSA-N 2 1 212.337 1.225 20 0 BDADMP COC1CCC(C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001236170274 966287032 /nfs/dbraw/zinc/28/70/32/966287032.db2.gz UMDHHUUSERZNQR-MOENNCHZSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C[C@H]1CN(c2cc(C3CC3)cc[nH+]2)CCO1 ZINC001166940461 966458048 /nfs/dbraw/zinc/45/80/48/966458048.db2.gz HQOAODBVUCFIAF-LBPRGKRZSA-N 2 1 233.315 1.123 20 0 BDADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccn3C)C[C@@H]2C1 ZINC001203271335 966592765 /nfs/dbraw/zinc/59/27/65/966592765.db2.gz YOKBWYLHEBYKPH-KBPBESRZSA-N 2 1 247.386 1.799 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](C[C@H]1CCCO1)CC2 ZINC001276428035 966819345 /nfs/dbraw/zinc/81/93/45/966819345.db2.gz BBGFKZFZSDNXKI-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001204104805 966892775 /nfs/dbraw/zinc/89/27/75/966892775.db2.gz SMHJHLATYGNZJF-GFCCVEGCSA-N 2 1 238.379 1.630 20 0 BDADMP OCCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727789 967138385 /nfs/dbraw/zinc/13/83/85/967138385.db2.gz PFMBACUAUHBFSS-UHFFFAOYSA-N 2 1 240.391 1.615 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](CC2CCSCC2)C1 ZINC001204763955 967151445 /nfs/dbraw/zinc/15/14/45/967151445.db2.gz ULSMQEBIMWFRFY-NSHDSACASA-N 2 1 214.378 1.553 20 0 BDADMP Cc1cccc(CC[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204764382 967157326 /nfs/dbraw/zinc/15/73/26/967157326.db2.gz YFXRQOLPAPSZAR-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1cccc(CC[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204764382 967157332 /nfs/dbraw/zinc/15/73/32/967157332.db2.gz YFXRQOLPAPSZAR-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000715578846 967186430 /nfs/dbraw/zinc/18/64/30/967186430.db2.gz KMDUOGHTPNHARI-HIFPTAJRSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC(N2CCC[C@H]([NH3+])C2)CC1 ZINC000715578846 967186439 /nfs/dbraw/zinc/18/64/39/967186439.db2.gz KMDUOGHTPNHARI-HIFPTAJRSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](N)C2)CC1 ZINC000715578846 967186447 /nfs/dbraw/zinc/18/64/47/967186447.db2.gz KMDUOGHTPNHARI-HIFPTAJRSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](N)C2)CC1 ZINC000715578846 967186453 /nfs/dbraw/zinc/18/64/53/967186453.db2.gz KMDUOGHTPNHARI-HIFPTAJRSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000715578847 967189601 /nfs/dbraw/zinc/18/96/01/967189601.db2.gz KMDUOGHTPNHARI-PNESKVBLSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC(N2CCC[C@@H]([NH3+])C2)CC1 ZINC000715578847 967189615 /nfs/dbraw/zinc/18/96/15/967189615.db2.gz KMDUOGHTPNHARI-PNESKVBLSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](N)C2)CC1 ZINC000715578847 967189626 /nfs/dbraw/zinc/18/96/26/967189626.db2.gz KMDUOGHTPNHARI-PNESKVBLSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](N)C2)CC1 ZINC000715578847 967189634 /nfs/dbraw/zinc/18/96/34/967189634.db2.gz KMDUOGHTPNHARI-PNESKVBLSA-N 2 1 225.380 1.282 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001204847543 967195424 /nfs/dbraw/zinc/19/54/24/967195424.db2.gz CGGYHVKUNCJOGB-NEPJUHHUSA-N 2 1 224.348 1.559 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1CO ZINC000691346672 967238328 /nfs/dbraw/zinc/23/83/28/967238328.db2.gz CUHRLPIXKFBTLH-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(N)c2)C1 ZINC001204946478 967248440 /nfs/dbraw/zinc/24/84/40/967248440.db2.gz OQWVCBNEEKVLMI-CYBMUJFWSA-N 2 1 219.332 1.582 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC001204946478 967248445 /nfs/dbraw/zinc/24/84/45/967248445.db2.gz OQWVCBNEEKVLMI-CYBMUJFWSA-N 2 1 219.332 1.582 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H]1O ZINC000691350816 967262655 /nfs/dbraw/zinc/26/26/55/967262655.db2.gz QTKXDFXUDDVWTL-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1c[nH]c2cccnc12 ZINC001205075722 967326913 /nfs/dbraw/zinc/32/69/13/967326913.db2.gz KRKHHOQYNNQDEQ-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205093477 967339652 /nfs/dbraw/zinc/33/96/52/967339652.db2.gz AYJORKNJHDAPOC-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094857 967342189 /nfs/dbraw/zinc/34/21/89/967342189.db2.gz RGXQIAXDUVOXPO-AWEZNQCLSA-N 3 1 239.407 1.532 20 0 BDADMP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205117869 967363940 /nfs/dbraw/zinc/36/39/40/967363940.db2.gz XLDCXIUHCNVCDM-CYBMUJFWSA-N 2 1 249.358 1.712 20 0 BDADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205117869 967363953 /nfs/dbraw/zinc/36/39/53/967363953.db2.gz XLDCXIUHCNVCDM-CYBMUJFWSA-N 2 1 249.358 1.712 20 0 BDADMP Cc1cc(F)ncc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117958 967369611 /nfs/dbraw/zinc/36/96/11/967369611.db2.gz ZOPJMMCAJBBCGY-LBPRGKRZSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1cc(F)ncc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117958 967369620 /nfs/dbraw/zinc/36/96/20/967369620.db2.gz ZOPJMMCAJBBCGY-LBPRGKRZSA-N 2 1 237.322 1.842 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)CC1 ZINC001205123960 967371662 /nfs/dbraw/zinc/37/16/62/967371662.db2.gz HUAVJBFXCGTZCQ-CQSZACIVSA-N 2 1 245.370 1.968 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205146110 967387684 /nfs/dbraw/zinc/38/76/84/967387684.db2.gz OSPSJSQJILKTQD-CMPLNLGQSA-N 2 1 235.331 1.122 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1C[C@@H](C)O[C@H](C)C1 ZINC001205177141 967410520 /nfs/dbraw/zinc/41/05/20/967410520.db2.gz AIOMVYSEDCIMTE-PRULPYPASA-N 2 1 226.364 1.612 20 0 BDADMP CCCCc1ncc(CN2CC[C@@H]([NH3+])[C@H]2C)[nH]1 ZINC001205189827 967419794 /nfs/dbraw/zinc/41/97/94/967419794.db2.gz HGAVNTSRCZPDJD-ZYHUDNBSSA-N 2 1 236.363 1.674 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209784 967431066 /nfs/dbraw/zinc/43/10/66/967431066.db2.gz LECZKNBCXKZGBL-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205221693 967431080 /nfs/dbraw/zinc/43/10/80/967431080.db2.gz WJSCNDGRNZCFEX-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CC2(F)CC[NH2+]CC2)CC1 ZINC001205256092 967445931 /nfs/dbraw/zinc/44/59/31/967445931.db2.gz MWLCSUJGBAYYFB-LBPRGKRZSA-N 3 1 243.370 1.281 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccn2)CC1 ZINC001205265288 967458898 /nfs/dbraw/zinc/45/88/98/967458898.db2.gz PNAIZTNKCGXGIU-ZDUSSCGKSA-N 2 1 219.332 1.785 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCO)CC[C@@H]1C[NH3+] ZINC001205603529 967718849 /nfs/dbraw/zinc/71/88/49/967718849.db2.gz PWMOZICGUBMEPM-CHWSQXEVSA-N 2 1 228.380 1.456 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001205603589 967721156 /nfs/dbraw/zinc/72/11/56/967721156.db2.gz QPPVIVSCBJDSBY-OCCSQVGLSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cn1 ZINC001205617765 967727523 /nfs/dbraw/zinc/72/75/23/967727523.db2.gz NHJNAIQCYOVYRD-YPMHNXCESA-N 2 1 248.374 1.592 20 0 BDADMP Cc1ncncc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205652531 967744063 /nfs/dbraw/zinc/74/40/63/967744063.db2.gz PYLJFTABMZEPKD-WCQYABFASA-N 2 1 248.374 1.592 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](Cc2cc[nH]c2)CCC1(F)F ZINC001205769764 967809589 /nfs/dbraw/zinc/80/95/89/967809589.db2.gz KNFNDQDMSZCJGT-JTQLQIEISA-N 2 1 229.274 1.431 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc[nH]c2)CCC1(F)F ZINC001205769764 967809597 /nfs/dbraw/zinc/80/95/97/967809597.db2.gz KNFNDQDMSZCJGT-JTQLQIEISA-N 2 1 229.274 1.431 20 0 BDADMP CNc1cc[nH+]c(NC[C@@H]2CCC[NH2+]C[C@H]2C)n1 ZINC001162452536 967839834 /nfs/dbraw/zinc/83/98/34/967839834.db2.gz FZOVMJJONSLUKC-MNOVXSKESA-N 2 1 249.362 1.566 20 0 BDADMP C[C@@H]1CC[N@H+](CCCCCC[NH3+])C[C@@H]1[NH3+] ZINC001205863502 967863634 /nfs/dbraw/zinc/86/36/34/967863634.db2.gz YZSHCTZCAYIVMF-NEPJUHHUSA-N 2 1 213.369 1.175 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C[C@@H]1[NH3+] ZINC001205863502 967863637 /nfs/dbraw/zinc/86/36/37/967863637.db2.gz YZSHCTZCAYIVMF-NEPJUHHUSA-N 3 1 213.369 1.175 20 0 BDADMP C[C@@H]1CCN(Cc2[nH+]cc3ccccn32)C[C@@H]1[NH3+] ZINC001205868948 967865795 /nfs/dbraw/zinc/86/57/95/967865795.db2.gz YIQNRMFHIQQBMN-YPMHNXCESA-N 2 1 244.342 1.503 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000703853874 967877124 /nfs/dbraw/zinc/87/71/24/967877124.db2.gz RDSLMQGQDJRYDA-UNXYVOJBSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)n(C)n1 ZINC001205928644 967889741 /nfs/dbraw/zinc/88/97/41/967889741.db2.gz YHOCCSBNJVMOJN-UHFFFAOYSA-N 2 1 248.374 1.256 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981757 967923658 /nfs/dbraw/zinc/92/36/58/967923658.db2.gz GSROHKQVZDAJFK-TUAOUCFPSA-N 2 1 213.369 1.031 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981757 967923683 /nfs/dbraw/zinc/92/36/83/967923683.db2.gz GSROHKQVZDAJFK-TUAOUCFPSA-N 2 1 213.369 1.031 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981128 967926394 /nfs/dbraw/zinc/92/63/94/967926394.db2.gz BSWDEGZICNXRCN-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP COCOCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205983087 967928390 /nfs/dbraw/zinc/92/83/90/967928390.db2.gz NQYKWOUKQVLNAG-OLZOCXBDSA-N 2 1 244.379 1.304 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCC[C@@H]1C[NH3+] ZINC001205985663 967940449 /nfs/dbraw/zinc/94/04/49/967940449.db2.gz ZKONAMMIJGWNKW-UONOGXRCSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncccc2[O-])CCC[C@H]1C[NH3+] ZINC001205992595 967943785 /nfs/dbraw/zinc/94/37/85/967943785.db2.gz FPFBQOLPXOQBMA-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@H+](Cc2ncccc2O)CCC[C@H]1C[NH3+] ZINC001205992595 967943794 /nfs/dbraw/zinc/94/37/94/967943794.db2.gz FPFBQOLPXOQBMA-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncccc2O)CCC[C@H]1C[NH3+] ZINC001205992595 967943803 /nfs/dbraw/zinc/94/38/03/967943803.db2.gz FPFBQOLPXOQBMA-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cscn2)CCC[C@@H]1C[NH3+] ZINC001205995543 967951976 /nfs/dbraw/zinc/95/19/76/967951976.db2.gz OYJFJGSWKDXUAG-WDEREUQCSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cscn2)CCC[C@@H]1C[NH3+] ZINC001205995540 967953893 /nfs/dbraw/zinc/95/38/93/967953893.db2.gz OYJFJGSWKDXUAG-GHMZBOCLSA-N 2 1 239.388 1.950 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)nc1 ZINC001206022751 967985160 /nfs/dbraw/zinc/98/51/60/967985160.db2.gz CQDDKIQJBIVOAW-QWHCGFSZSA-N 2 1 248.374 1.592 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001206108643 968065649 /nfs/dbraw/zinc/06/56/49/968065649.db2.gz JFYBZXSQFQHTEL-QNWHQSFQSA-N 2 1 226.364 1.340 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001206108643 968065663 /nfs/dbraw/zinc/06/56/63/968065663.db2.gz JFYBZXSQFQHTEL-QNWHQSFQSA-N 2 1 226.364 1.340 20 0 BDADMP C[NH+](C)CC(C)(C)CNc1nc2[nH]ccc2c[nH+]1 ZINC001168763475 968080280 /nfs/dbraw/zinc/08/02/80/968080280.db2.gz JXOFUQMLXLDHHM-UHFFFAOYSA-N 2 1 247.346 1.909 20 0 BDADMP Cc1[nH]c(CN2C[C@H]([NH3+])CC(F)(F)C2)c(C)[nH+]1 ZINC001206140194 968080999 /nfs/dbraw/zinc/08/09/99/968080999.db2.gz VWDUUTVUKUQSOH-SECBINFHSA-N 2 1 244.289 1.195 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163906 968101258 /nfs/dbraw/zinc/10/12/58/968101258.db2.gz HQHNESMKHWZCQD-RYUDHWBXSA-N 2 1 240.326 1.288 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163906 968101266 /nfs/dbraw/zinc/10/12/66/968101266.db2.gz HQHNESMKHWZCQD-RYUDHWBXSA-N 2 1 240.326 1.288 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163905 968102569 /nfs/dbraw/zinc/10/25/69/968102569.db2.gz HQHNESMKHWZCQD-NWDGAFQWSA-N 2 1 240.326 1.288 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163905 968102579 /nfs/dbraw/zinc/10/25/79/968102579.db2.gz HQHNESMKHWZCQD-NWDGAFQWSA-N 2 1 240.326 1.288 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CC[C@@H]1F ZINC001206167318 968102712 /nfs/dbraw/zinc/10/27/12/968102712.db2.gz YGLQCUKUPGHQAN-WDEREUQCSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CC[C@@H]1F ZINC001206167318 968102718 /nfs/dbraw/zinc/10/27/18/968102718.db2.gz YGLQCUKUPGHQAN-WDEREUQCSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CC[C@@H]1F ZINC001206167317 968103452 /nfs/dbraw/zinc/10/34/52/968103452.db2.gz YGLQCUKUPGHQAN-QWRGUYRKSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CC[C@@H]1F ZINC001206167317 968103465 /nfs/dbraw/zinc/10/34/65/968103465.db2.gz YGLQCUKUPGHQAN-QWRGUYRKSA-N 2 1 239.294 1.048 20 0 BDADMP CCc1n[nH]cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206200819 968131802 /nfs/dbraw/zinc/13/18/02/968131802.db2.gz SYPQFLFQHRNHAC-QWRGUYRKSA-N 2 1 240.326 1.233 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206200819 968131809 /nfs/dbraw/zinc/13/18/09/968131809.db2.gz SYPQFLFQHRNHAC-QWRGUYRKSA-N 2 1 240.326 1.233 20 0 BDADMP C[C@]1(C[NH3+])CCCN(c2[nH+]cccc2N)CC1 ZINC001164241652 968196443 /nfs/dbraw/zinc/19/64/43/968196443.db2.gz CZMBXMDOBJVYRL-ZDUSSCGKSA-N 2 1 234.347 1.619 20 0 BDADMP CC[C@@H](N)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292472 968203712 /nfs/dbraw/zinc/20/37/12/968203712.db2.gz BNOCSKNLORPQQW-NEPJUHHUSA-N 2 1 213.369 1.175 20 0 BDADMP CC[C@@H]([NH3+])CN1CCC[C@](C)(C[NH3+])CC1 ZINC001206292472 968203719 /nfs/dbraw/zinc/20/37/19/968203719.db2.gz BNOCSKNLORPQQW-NEPJUHHUSA-N 2 1 213.369 1.175 20 0 BDADMP C[N@H+]1CCC[C@H](OCC[NH+]2CCCC2)CC1 ZINC001206302239 968210557 /nfs/dbraw/zinc/21/05/57/968210557.db2.gz GOWNJGFOJCYAPY-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnccn2)CC1 ZINC001206305417 968213708 /nfs/dbraw/zinc/21/37/08/968213708.db2.gz YVLFTFLZZPTSPV-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccnnc2)CC1 ZINC001206311916 968218232 /nfs/dbraw/zinc/21/82/32/968218232.db2.gz WTRCFSULTBWGRE-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccnc2N)CC1 ZINC001206318917 968225319 /nfs/dbraw/zinc/22/53/19/968225319.db2.gz VDDGKTXACXVMDS-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP NC[C@@]1(F)CCCC[N@@H+](CCCCC[NH3+])C1 ZINC001206336136 968237530 /nfs/dbraw/zinc/23/75/30/968237530.db2.gz KBIFGALCYCIETP-LBPRGKRZSA-N 2 1 231.359 1.268 20 0 BDADMP [NH3+]CCCCCN1CCCC[C@](F)(C[NH3+])C1 ZINC001206336136 968237552 /nfs/dbraw/zinc/23/75/52/968237552.db2.gz KBIFGALCYCIETP-LBPRGKRZSA-N 2 1 231.359 1.268 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCCCO)C1 ZINC001206541895 968365987 /nfs/dbraw/zinc/36/59/87/968365987.db2.gz MUBIQZPAKXGCBX-CYBMUJFWSA-N 2 1 228.380 1.600 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2cc(CO)ccc2C1 ZINC001206581518 968398014 /nfs/dbraw/zinc/39/80/14/968398014.db2.gz JVTRXBUBUDEMLZ-UHFFFAOYSA-N 2 1 234.343 1.276 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206623357 968423941 /nfs/dbraw/zinc/42/39/41/968423941.db2.gz LHGWKRLXGXSMDV-HNNXBMFYSA-N 3 1 247.386 1.706 20 0 BDADMP O[C@H](C[NH2+]CCCc1[nH]cc[nH+]1)c1ccccc1 ZINC001252016739 968438669 /nfs/dbraw/zinc/43/86/69/968438669.db2.gz WUDMZYJFAXYUCX-CYBMUJFWSA-N 2 1 245.326 1.666 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)n1C ZINC001206795936 968480733 /nfs/dbraw/zinc/48/07/33/968480733.db2.gz NZUMHNIOOKKNKY-JSGCOSHPSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)n1C ZINC001206795936 968480738 /nfs/dbraw/zinc/48/07/38/968480738.db2.gz NZUMHNIOOKKNKY-JSGCOSHPSA-N 2 1 248.374 1.255 20 0 BDADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc[nH]c1=O ZINC001207010741 968546734 /nfs/dbraw/zinc/54/67/34/968546734.db2.gz VFVMPZNRGSTPTA-UHFFFAOYSA-N 2 1 237.347 1.561 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc[nH]c1=O ZINC001207010741 968546738 /nfs/dbraw/zinc/54/67/38/968546738.db2.gz VFVMPZNRGSTPTA-UHFFFAOYSA-N 2 1 237.347 1.561 20 0 BDADMP CCCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252096455 968578481 /nfs/dbraw/zinc/57/84/81/968578481.db2.gz CCGDDXIOIIEQIY-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001252096455 968578486 /nfs/dbraw/zinc/57/84/86/968578486.db2.gz CCGDDXIOIIEQIY-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001252096455 968578489 /nfs/dbraw/zinc/57/84/89/968578489.db2.gz CCGDDXIOIIEQIY-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985639 968667490 /nfs/dbraw/zinc/66/74/90/968667490.db2.gz ZCKLESAVYSESNO-LOWDOPEQSA-N 2 1 210.365 1.949 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001207274715 968700784 /nfs/dbraw/zinc/70/07/84/968700784.db2.gz FJLCZCPNSISUBX-VXGBXAGGSA-N 2 1 246.370 1.369 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[C@@H]1O ZINC001207391324 968745100 /nfs/dbraw/zinc/74/51/00/968745100.db2.gz FBFZXBUJZLSWGW-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CCn3ccnc3C2)CC1 ZINC001207395926 968750383 /nfs/dbraw/zinc/75/03/83/968750383.db2.gz ZQSMEVQFLVUWLV-UHFFFAOYSA-N 2 1 234.347 1.041 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCn3ccnc3C2)CC1 ZINC001207395926 968750395 /nfs/dbraw/zinc/75/03/95/968750395.db2.gz ZQSMEVQFLVUWLV-UHFFFAOYSA-N 2 1 234.347 1.041 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@]1(C)O ZINC001207395565 968750737 /nfs/dbraw/zinc/75/07/37/968750737.db2.gz VJPDLGMRMGPNQC-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001207393930 968752932 /nfs/dbraw/zinc/75/29/32/968752932.db2.gz FUGJLWGNYLFPGD-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1[C@@H]2CCC[C@H]1COC2 ZINC001207439011 968754471 /nfs/dbraw/zinc/75/44/71/968754471.db2.gz HRMUYKRUHBCTAO-BETUJISGSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2CCC23COC3)CC1 ZINC001207484804 968789485 /nfs/dbraw/zinc/78/94/85/968789485.db2.gz NMAOEIMTURQCBJ-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC23COC3)CC1 ZINC001207484804 968789491 /nfs/dbraw/zinc/78/94/91/968789491.db2.gz NMAOEIMTURQCBJ-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC(CC[NH+]2CC3(CCO3)C2)CC1 ZINC001207486057 968796258 /nfs/dbraw/zinc/79/62/58/968796258.db2.gz CQCMKXVKFYSRCQ-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001207487439 968800024 /nfs/dbraw/zinc/80/00/24/968800024.db2.gz IZJPVWPYAQPCPM-QWHCGFSZSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001207487439 968800030 /nfs/dbraw/zinc/80/00/30/968800030.db2.gz IZJPVWPYAQPCPM-QWHCGFSZSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001207487978 968801813 /nfs/dbraw/zinc/80/18/13/968801813.db2.gz ANIJVWLHWQZEPV-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CCN(C)c1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154976412 968828567 /nfs/dbraw/zinc/82/85/67/968828567.db2.gz KUWATZWNBXSIDV-WDEREUQCSA-N 2 1 249.362 1.615 20 0 BDADMP C[NH+](C)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208083488 968992621 /nfs/dbraw/zinc/99/26/21/968992621.db2.gz VGBGNHGPSVRFIO-UHFFFAOYSA-N 2 1 236.363 1.299 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1O ZINC001208105738 969002701 /nfs/dbraw/zinc/00/27/01/969002701.db2.gz BEMXSTPROZBCHE-OLZOCXBDSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@@H+](Cc1cnccn1)CC1(C)CC[NH+](C)CC1 ZINC001208112850 969006051 /nfs/dbraw/zinc/00/60/51/969006051.db2.gz BKHLGCCLJSXZBM-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCOC1 ZINC001208114195 969006078 /nfs/dbraw/zinc/00/60/78/969006078.db2.gz TXCJPPMDDHVIOE-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC001208185054 969115944 /nfs/dbraw/zinc/11/59/44/969115944.db2.gz UZRFMXHJFOOAAS-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CC(C)=O)CC1 ZINC001208592205 969145732 /nfs/dbraw/zinc/14/57/32/969145732.db2.gz DSRZZTHJENNCQQ-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CCn3cncc3C2)CC1 ZINC001208597296 969150888 /nfs/dbraw/zinc/15/08/88/969150888.db2.gz GBQJWRJEHOICEH-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCn3cncc3C2)CC1 ZINC001208597296 969150892 /nfs/dbraw/zinc/15/08/92/969150892.db2.gz GBQJWRJEHOICEH-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001208593539 969152598 /nfs/dbraw/zinc/15/25/98/969152598.db2.gz VYIUBMOARLKUTG-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+]1CCCN(C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208603289 969155887 /nfs/dbraw/zinc/15/58/87/969155887.db2.gz AEEMDKRYQWPTTI-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP CC[NH+]1CCCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208603289 969155890 /nfs/dbraw/zinc/15/58/90/969155890.db2.gz AEEMDKRYQWPTTI-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP CC[NH+]1CCCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603289 969155899 /nfs/dbraw/zinc/15/58/99/969155899.db2.gz AEEMDKRYQWPTTI-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3OCC[C@@H]3C2)C1 ZINC001208618304 969174784 /nfs/dbraw/zinc/17/47/84/969174784.db2.gz WEYWMQYDBZDZDN-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3OCC[C@@H]3C2)C1 ZINC001208618304 969174790 /nfs/dbraw/zinc/17/47/90/969174790.db2.gz WEYWMQYDBZDZDN-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)C1 ZINC001208618304 969174795 /nfs/dbraw/zinc/17/47/95/969174795.db2.gz WEYWMQYDBZDZDN-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3OCC[C@@H]3C2)C1 ZINC001208618304 969174799 /nfs/dbraw/zinc/17/47/99/969174799.db2.gz WEYWMQYDBZDZDN-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]23CCOC3)C1 ZINC001208617506 969178053 /nfs/dbraw/zinc/17/80/53/969178053.db2.gz PRPLDEPVIOZCFP-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]23CCOC3)C1 ZINC001208617506 969178057 /nfs/dbraw/zinc/17/80/57/969178057.db2.gz PRPLDEPVIOZCFP-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]23CCOC3)C1 ZINC001208617506 969178063 /nfs/dbraw/zinc/17/80/63/969178063.db2.gz PRPLDEPVIOZCFP-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]23CCOC3)C1 ZINC001208617506 969178066 /nfs/dbraw/zinc/17/80/66/969178066.db2.gz PRPLDEPVIOZCFP-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CC[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000383744442 969183324 /nfs/dbraw/zinc/18/33/24/969183324.db2.gz ITVYXDVWLLOIJK-GFCCVEGCSA-N 2 1 237.391 1.155 20 0 BDADMP CCCCC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC001253519469 969197291 /nfs/dbraw/zinc/19/72/91/969197291.db2.gz PYFFOAIDOBNBEY-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CN(C)c1cc(NC2=CC[N@@H+](C)CC2)cc[nH+]1 ZINC001208793493 969237924 /nfs/dbraw/zinc/23/79/24/969237924.db2.gz HDCAXCOATLFJLH-UHFFFAOYSA-N 2 1 232.331 1.779 20 0 BDADMP CCOC(C)(C)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209079268 969349858 /nfs/dbraw/zinc/34/98/58/969349858.db2.gz RTJXXKCFAWOPQQ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncccc2N)CCC[C@@H]1C[NH3+] ZINC001205996340 969363646 /nfs/dbraw/zinc/36/36/46/969363646.db2.gz WHLZSCXOBOQNTO-NWDGAFQWSA-N 2 1 248.374 1.471 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC[N@@H+]1C)C2 ZINC001169094064 969383020 /nfs/dbraw/zinc/38/30/20/969383020.db2.gz KPVJYQLYUFYEDH-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169094064 969383032 /nfs/dbraw/zinc/38/30/32/969383032.db2.gz KPVJYQLYUFYEDH-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169094064 969383039 /nfs/dbraw/zinc/38/30/39/969383039.db2.gz KPVJYQLYUFYEDH-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169094064 969383051 /nfs/dbraw/zinc/38/30/51/969383051.db2.gz KPVJYQLYUFYEDH-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169094064 969383065 /nfs/dbraw/zinc/38/30/65/969383065.db2.gz KPVJYQLYUFYEDH-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169095305 969385832 /nfs/dbraw/zinc/38/58/32/969385832.db2.gz OZIIYFKESFVPLC-VJTDZRGJSA-N 2 1 237.391 1.471 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169095305 969385834 /nfs/dbraw/zinc/38/58/34/969385834.db2.gz OZIIYFKESFVPLC-VJTDZRGJSA-N 3 1 237.391 1.471 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169095305 969385839 /nfs/dbraw/zinc/38/58/39/969385839.db2.gz OZIIYFKESFVPLC-VJTDZRGJSA-N 3 1 237.391 1.471 20 0 BDADMP CN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095721 969386543 /nfs/dbraw/zinc/38/65/43/969386543.db2.gz SBEMULHCOIGAJT-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCC[NH+](C)C1)C2 ZINC001169095721 969386554 /nfs/dbraw/zinc/38/65/54/969386554.db2.gz SBEMULHCOIGAJT-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCC[N@H+](C)C1)C2 ZINC001169095721 969386557 /nfs/dbraw/zinc/38/65/57/969386557.db2.gz SBEMULHCOIGAJT-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCC[N@@H+](C)C1)C2 ZINC001169095721 969386563 /nfs/dbraw/zinc/38/65/63/969386563.db2.gz SBEMULHCOIGAJT-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@H]([NH3+])c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169100525 969392155 /nfs/dbraw/zinc/39/21/55/969392155.db2.gz KNUCYECRLRXNEO-NNYUYHANSA-N 2 1 234.347 1.701 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOC[C@H]1F)C2 ZINC001169101506 969400124 /nfs/dbraw/zinc/40/01/24/969400124.db2.gz SYWYNAHVZIPPQV-MLGHIDQZSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOC[C@H]1F)C2 ZINC001169101506 969400129 /nfs/dbraw/zinc/40/01/29/969400129.db2.gz SYWYNAHVZIPPQV-MLGHIDQZSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](C)CC1)C2 ZINC001169077845 969400315 /nfs/dbraw/zinc/40/03/15/969400315.db2.gz AHECJUAQIHJTQC-BTTYYORXSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169077845 969400325 /nfs/dbraw/zinc/40/03/25/969400325.db2.gz AHECJUAQIHJTQC-BTTYYORXSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169077845 969400330 /nfs/dbraw/zinc/40/03/30/969400330.db2.gz AHECJUAQIHJTQC-BTTYYORXSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC(F)C1)C2 ZINC001169079234 969400521 /nfs/dbraw/zinc/40/05/21/969400521.db2.gz KEAUYRUCIFTINA-XMCLCESHSA-N 2 1 212.312 1.702 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082361 969403160 /nfs/dbraw/zinc/40/31/60/969403160.db2.gz YTBQUDKQJFNFCH-ZSOGYDGISA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080402 969404914 /nfs/dbraw/zinc/40/49/14/969404914.db2.gz NDXVBZKVEVGYFH-XYYAHUGASA-N 2 1 225.380 1.153 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(CC[NH3+])n1)C2 ZINC001169091254 969408211 /nfs/dbraw/zinc/40/82/11/969408211.db2.gz PZOWIOLGTHTPAO-CLLJXQQHSA-N 2 1 234.347 1.182 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001169092264 969411912 /nfs/dbraw/zinc/41/19/12/969411912.db2.gz AXVDXSJFWAVAJL-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ncc3c1CC[NH2+]C3)C2 ZINC001169124866 969425342 /nfs/dbraw/zinc/42/53/42/969425342.db2.gz FSPQELAGOHUGBR-ITGUQSILSA-N 2 1 246.358 1.327 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](C3CC3)CC1)C2 ZINC001169125608 969427696 /nfs/dbraw/zinc/42/76/96/969427696.db2.gz JSNJQUFESMVRAQ-QDMKHBRRSA-N 2 1 249.402 1.392 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[NH+](C)CC1)C2 ZINC001169126967 969431953 /nfs/dbraw/zinc/43/19/53/969431953.db2.gz YMMGWKLXAQZHFA-BTTYYORXSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[N@H+](C)CC1)C2 ZINC001169126967 969431959 /nfs/dbraw/zinc/43/19/59/969431959.db2.gz YMMGWKLXAQZHFA-BTTYYORXSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[N@@H+](C)CC1)C2 ZINC001169126967 969431963 /nfs/dbraw/zinc/43/19/63/969431963.db2.gz YMMGWKLXAQZHFA-BTTYYORXSA-N 2 1 237.391 1.249 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@H]31)C2 ZINC001169129222 969440630 /nfs/dbraw/zinc/44/06/30/969440630.db2.gz IOSOBCMVDFKETL-MBJXGIAVSA-N 2 1 236.359 1.475 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001169129222 969440641 /nfs/dbraw/zinc/44/06/41/969440641.db2.gz IOSOBCMVDFKETL-MBJXGIAVSA-N 2 1 236.359 1.475 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001169129222 969440650 /nfs/dbraw/zinc/44/06/50/969440650.db2.gz IOSOBCMVDFKETL-MBJXGIAVSA-N 2 1 236.359 1.475 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108068 969443964 /nfs/dbraw/zinc/44/39/64/969443964.db2.gz NVIRNDQFIWXJMK-XYYAHUGASA-N 2 1 238.375 1.959 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108068 969443974 /nfs/dbraw/zinc/44/39/74/969443974.db2.gz NVIRNDQFIWXJMK-XYYAHUGASA-N 2 1 238.375 1.959 20 0 BDADMP COC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109045 969447164 /nfs/dbraw/zinc/44/71/64/969447164.db2.gz HBRKLHSCNUHNKV-KKOKHZNYSA-N 2 1 240.347 1.153 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C2 ZINC001169112681 969458048 /nfs/dbraw/zinc/45/80/48/969458048.db2.gz RQXKNYCOWZQRBD-RVMXOQNASA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209411100 969476040 /nfs/dbraw/zinc/47/60/40/969476040.db2.gz BCFFMRLBYSCAIF-RNJOBUHISA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[C@H]1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209411100 969476048 /nfs/dbraw/zinc/47/60/48/969476048.db2.gz BCFFMRLBYSCAIF-RNJOBUHISA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[C@H]1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001209411100 969476057 /nfs/dbraw/zinc/47/60/57/969476057.db2.gz BCFFMRLBYSCAIF-RNJOBUHISA-N 2 1 208.349 1.526 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccnc2)CC1 ZINC001169229929 969505011 /nfs/dbraw/zinc/50/50/11/969505011.db2.gz LOOFEVKDFMBDGA-CQSZACIVSA-N 2 1 249.358 1.189 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001169263725 969518039 /nfs/dbraw/zinc/51/80/39/969518039.db2.gz ADPWAUUINIYYJS-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001169263725 969518044 /nfs/dbraw/zinc/51/80/44/969518044.db2.gz ADPWAUUINIYYJS-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+]1CCC([NH+]2CC([C@H](C)OC)C2)CC1 ZINC001169261745 969519986 /nfs/dbraw/zinc/51/99/86/969519986.db2.gz NQCMVPGGDVTWMY-NSHDSACASA-N 2 1 226.364 1.437 20 0 BDADMP CO[C@@H](C)C1C[NH+](CCC[NH+]2CCCCC2)C1 ZINC001209452388 969520313 /nfs/dbraw/zinc/52/03/13/969520313.db2.gz MPRVPJOTDPJWPL-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CCN1CCC([N@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001169246595 969533839 /nfs/dbraw/zinc/53/38/39/969533839.db2.gz SUHIRQAGIWMEIF-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](C)[C@H]2CO)CC1 ZINC001169245525 969537113 /nfs/dbraw/zinc/53/71/13/969537113.db2.gz GVQKUCWCVBUHMB-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H](C)[C@H]2CO)CC1 ZINC001169245525 969537121 /nfs/dbraw/zinc/53/71/21/969537121.db2.gz GVQKUCWCVBUHMB-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CCN1CCC([N@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001169246546 969537357 /nfs/dbraw/zinc/53/73/57/969537357.db2.gz SKVSIQDTPWNTHB-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001169246546 969537363 /nfs/dbraw/zinc/53/73/63/969537363.db2.gz SKVSIQDTPWNTHB-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001169246546 969537369 /nfs/dbraw/zinc/53/73/69/969537369.db2.gz SKVSIQDTPWNTHB-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)[nH]1 ZINC001209571208 969554962 /nfs/dbraw/zinc/55/49/62/969554962.db2.gz AFSOZPNAUPLGEJ-OLZOCXBDSA-N 2 1 233.359 1.707 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]1 ZINC001209571208 969554969 /nfs/dbraw/zinc/55/49/69/969554969.db2.gz AFSOZPNAUPLGEJ-OLZOCXBDSA-N 2 1 233.359 1.707 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]1 ZINC001209571208 969554974 /nfs/dbraw/zinc/55/49/74/969554974.db2.gz AFSOZPNAUPLGEJ-OLZOCXBDSA-N 2 1 233.359 1.707 20 0 BDADMP CC[N@H+]1CCCN(Cc2c[nH+]ccc2N)CC1 ZINC001209727775 969578326 /nfs/dbraw/zinc/57/83/26/969578326.db2.gz NCZNRWAQHCSDPU-UHFFFAOYSA-N 2 1 234.347 1.022 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CCO2)CC1 ZINC001209732134 969594490 /nfs/dbraw/zinc/59/44/90/969594490.db2.gz XIZOKQHTSYMGDN-UHFFFAOYSA-N 2 1 233.315 1.249 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1cncnc1 ZINC001254502528 969665115 /nfs/dbraw/zinc/66/51/15/969665115.db2.gz FHUBZEGYSCYQTQ-AAEUAGOBSA-N 2 1 234.347 1.612 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cncnc1 ZINC001254502528 969665125 /nfs/dbraw/zinc/66/51/25/969665125.db2.gz FHUBZEGYSCYQTQ-AAEUAGOBSA-N 2 1 234.347 1.612 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]C[Si](C)(C)C)CC1 ZINC001254504493 969673130 /nfs/dbraw/zinc/67/31/30/969673130.db2.gz CHWSCTPRPSYRGI-LLVKDONJSA-N 2 1 214.429 1.938 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[Si](C)(C)C)CC1 ZINC001254504493 969673131 /nfs/dbraw/zinc/67/31/31/969673131.db2.gz CHWSCTPRPSYRGI-LLVKDONJSA-N 2 1 214.429 1.938 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCOc2ccccn2)CC1 ZINC001254505499 969673569 /nfs/dbraw/zinc/67/35/69/969673569.db2.gz HIXXIBHLYQTFLC-CYBMUJFWSA-N 2 1 249.358 1.534 20 0 BDADMP C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254515741 969685300 /nfs/dbraw/zinc/68/53/00/969685300.db2.gz BWZQXTCVKXHFBT-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254515741 969685308 /nfs/dbraw/zinc/68/53/08/969685308.db2.gz BWZQXTCVKXHFBT-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1ccncc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515741 969685312 /nfs/dbraw/zinc/68/53/12/969685312.db2.gz BWZQXTCVKXHFBT-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1ccncc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515741 969685321 /nfs/dbraw/zinc/68/53/21/969685321.db2.gz BWZQXTCVKXHFBT-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001254518585 969699553 /nfs/dbraw/zinc/69/95/53/969699553.db2.gz CDOASDJQYBKVFI-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001254518585 969699559 /nfs/dbraw/zinc/69/95/59/969699559.db2.gz CDOASDJQYBKVFI-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001254518585 969699566 /nfs/dbraw/zinc/69/95/66/969699566.db2.gz CDOASDJQYBKVFI-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001254518712 969699600 /nfs/dbraw/zinc/69/96/00/969699600.db2.gz DDNRITFVQOBMIR-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001254518712 969699610 /nfs/dbraw/zinc/69/96/10/969699610.db2.gz DDNRITFVQOBMIR-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC001254522960 969708010 /nfs/dbraw/zinc/70/80/10/969708010.db2.gz LCMUDPQXVCYXAJ-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001254522960 969708015 /nfs/dbraw/zinc/70/80/15/969708015.db2.gz LCMUDPQXVCYXAJ-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@@H](N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001254522960 969708024 /nfs/dbraw/zinc/70/80/24/969708024.db2.gz LCMUDPQXVCYXAJ-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@@H+](CC1(C)COC1)[C@H]1CCC[NH+](C)CC1 ZINC001254523551 969710762 /nfs/dbraw/zinc/71/07/62/969710762.db2.gz PAKJQFCNRKIYPV-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[NH+]3CCC2CC3)CC1 ZINC001254525430 969719773 /nfs/dbraw/zinc/71/97/73/969719773.db2.gz IGTHRXMTFCJQEX-ZDUSSCGKSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@@H+](CCC1OCCO1)[C@H]1CCC[NH+](C)CC1 ZINC001254527412 969723256 /nfs/dbraw/zinc/72/32/56/969723256.db2.gz XULXHLITYZEGOZ-LBPRGKRZSA-N 2 1 242.363 1.166 20 0 BDADMP C[NH+](CCC1OCCO1)[C@H]1CCC[N@H+](C)CC1 ZINC001254527412 969723262 /nfs/dbraw/zinc/72/32/62/969723262.db2.gz XULXHLITYZEGOZ-LBPRGKRZSA-N 2 1 242.363 1.166 20 0 BDADMP C[NH+](CCC1OCCO1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254527412 969723266 /nfs/dbraw/zinc/72/32/66/969723266.db2.gz XULXHLITYZEGOZ-LBPRGKRZSA-N 2 1 242.363 1.166 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001254529834 969726437 /nfs/dbraw/zinc/72/64/37/969726437.db2.gz RKWBQGLGVQHSEJ-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001254529834 969726446 /nfs/dbraw/zinc/72/64/46/969726446.db2.gz RKWBQGLGVQHSEJ-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001254529834 969726452 /nfs/dbraw/zinc/72/64/52/969726452.db2.gz RKWBQGLGVQHSEJ-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP CC(=O)[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532140 969731144 /nfs/dbraw/zinc/73/11/44/969731144.db2.gz QBXWHGFWKAMUGI-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254532140 969731149 /nfs/dbraw/zinc/73/11/49/969731149.db2.gz QBXWHGFWKAMUGI-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254532140 969731155 /nfs/dbraw/zinc/73/11/55/969731155.db2.gz QBXWHGFWKAMUGI-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254532140 969731161 /nfs/dbraw/zinc/73/11/61/969731161.db2.gz QBXWHGFWKAMUGI-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP CCc1cc(NCC[C@H]2CCC[NH2+]2)nc(C)[nH+]1 ZINC000166873584 969790470 /nfs/dbraw/zinc/79/04/70/969790470.db2.gz SSWOPRQKKCWJHS-GFCCVEGCSA-N 2 1 234.347 1.901 20 0 BDADMP C[NH+]1CC2(C1)CCN([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254863527 969814302 /nfs/dbraw/zinc/81/43/02/969814302.db2.gz HGKSUUQPSKUXLH-AWEZNQCLSA-N 2 1 249.402 1.108 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254921965 969820736 /nfs/dbraw/zinc/82/07/36/969820736.db2.gz JFXKJUHDYVMHJB-IUCAKERBSA-N 2 1 210.321 1.071 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254937230 969823711 /nfs/dbraw/zinc/82/37/11/969823711.db2.gz ZVYUVJCYMOMBOX-NNYUYHANSA-N 2 1 224.348 1.271 20 0 BDADMP C[NH+](C)CCC[N@H+](C)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254943995 969831464 /nfs/dbraw/zinc/83/14/64/969831464.db2.gz OBVWMZGFUBNSPV-ITGUQSILSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254943995 969831468 /nfs/dbraw/zinc/83/14/68/969831468.db2.gz OBVWMZGFUBNSPV-ITGUQSILSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCSCC1)C2 ZINC001255095345 969931838 /nfs/dbraw/zinc/93/18/38/969931838.db2.gz TZNRNABAKKVAIL-DGCLKSJQSA-N 2 1 240.416 1.766 20 0 BDADMP CC(C)(C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255098841 969935468 /nfs/dbraw/zinc/93/54/68/969935468.db2.gz HCWFBWZJYBHCAH-CQSZACIVSA-N 2 1 247.386 1.588 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001255098841 969935475 /nfs/dbraw/zinc/93/54/75/969935475.db2.gz HCWFBWZJYBHCAH-CQSZACIVSA-N 2 1 247.386 1.588 20 0 BDADMP CN(OCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255103230 969938667 /nfs/dbraw/zinc/93/86/67/969938667.db2.gz VATMSUULABDQHC-CQSZACIVSA-N 2 1 249.358 1.083 20 0 BDADMP C[NH2+][C@@H]1CCN1c1[nH+]ccc2c1ccn2C ZINC001156649227 969965827 /nfs/dbraw/zinc/96/58/27/969965827.db2.gz WNSHLLGAYIXVHP-NSHDSACASA-N 2 1 216.288 1.329 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCSC3)C2)C1 ZINC001255291721 970053529 /nfs/dbraw/zinc/05/35/29/970053529.db2.gz YCTUPOAODLFPAV-RYUDHWBXSA-N 2 1 226.389 1.520 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCSC3)C2)C1 ZINC001255291721 970053536 /nfs/dbraw/zinc/05/35/36/970053536.db2.gz YCTUPOAODLFPAV-RYUDHWBXSA-N 2 1 226.389 1.520 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCSC3)C2)C1 ZINC001255291721 970053544 /nfs/dbraw/zinc/05/35/44/970053544.db2.gz YCTUPOAODLFPAV-RYUDHWBXSA-N 2 1 226.389 1.520 20 0 BDADMP CC[N@H+](C)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255295854 970059452 /nfs/dbraw/zinc/05/94/52/970059452.db2.gz NJXTWSBGKZLRFP-LBPRGKRZSA-N 2 1 228.405 1.908 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255295854 970059456 /nfs/dbraw/zinc/05/94/56/970059456.db2.gz NJXTWSBGKZLRFP-LBPRGKRZSA-N 2 1 228.405 1.908 20 0 BDADMP CN(c1cc[nH+]c(N2CCCC2)n1)C(C)(C)C[NH3+] ZINC001170052884 970088744 /nfs/dbraw/zinc/08/87/44/970088744.db2.gz MAOUTLWKOPFXDQ-UHFFFAOYSA-N 2 1 249.362 1.250 20 0 BDADMP CCCC[C@@H](C)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001255329362 970108248 /nfs/dbraw/zinc/10/82/48/970108248.db2.gz KFLAOLINBITVTJ-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP COC(=O)c1c[nH+]ccc1N(C)C(C)(C)C[NH3+] ZINC001170059287 970111292 /nfs/dbraw/zinc/11/12/92/970111292.db2.gz FTFGRSQHPWJBSJ-UHFFFAOYSA-N 2 1 237.303 1.042 20 0 BDADMP CCCC[C@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001255332603 970116530 /nfs/dbraw/zinc/11/65/30/970116530.db2.gz BZJRIICRXYVIJQ-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@H+]1CC[C@@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001255417303 970138676 /nfs/dbraw/zinc/13/86/76/970138676.db2.gz KCTBGKMRUIEZOZ-DGCLKSJQSA-N 2 1 231.343 1.601 20 0 BDADMP C[N@H+]1CC[C@@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001255417700 970140581 /nfs/dbraw/zinc/14/05/81/970140581.db2.gz OCVXJJZZFOQIQK-LLVKDONJSA-N 2 1 230.315 1.372 20 0 BDADMP C[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC001255421815 970143850 /nfs/dbraw/zinc/14/38/50/970143850.db2.gz LIFKLNQBFVJANC-CHWSQXEVSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC001255421815 970143853 /nfs/dbraw/zinc/14/38/53/970143853.db2.gz LIFKLNQBFVJANC-CHWSQXEVSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001255421815 970143857 /nfs/dbraw/zinc/14/38/57/970143857.db2.gz LIFKLNQBFVJANC-CHWSQXEVSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001255421815 970143860 /nfs/dbraw/zinc/14/38/60/970143860.db2.gz LIFKLNQBFVJANC-CHWSQXEVSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CC[C@@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001255422158 970145640 /nfs/dbraw/zinc/14/56/40/970145640.db2.gz VJIYQDAEVUDUPO-LLVKDONJSA-N 2 1 230.315 1.372 20 0 BDADMP CC(C)[N@@H+]([C@@H]1CCN(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255422638 970148354 /nfs/dbraw/zinc/14/83/54/970148354.db2.gz PFWDVBWMQUHNSG-MGPQQGTHSA-N 2 1 239.407 1.671 20 0 BDADMP C[N@H+]1CC[C@@H](N2CC[NH+](C)CC23CCCC3)C1 ZINC001255443547 970173524 /nfs/dbraw/zinc/17/35/24/970173524.db2.gz PKUJUHLHOCBVIC-CYBMUJFWSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CC[C@@H](N2CC[N@H+](C)CC23CCCC3)C1 ZINC001255443547 970173528 /nfs/dbraw/zinc/17/35/28/970173528.db2.gz PKUJUHLHOCBVIC-CYBMUJFWSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CC[C@@H](N2CC[N@@H+](C)CC23CCCC3)C1 ZINC001255443547 970173532 /nfs/dbraw/zinc/17/35/32/970173532.db2.gz PKUJUHLHOCBVIC-CYBMUJFWSA-N 2 1 237.391 1.251 20 0 BDADMP Cn1c[nH+]cc1Nc1cnc2c(c1)C[N@H+](C)CC2 ZINC001211246817 970192230 /nfs/dbraw/zinc/19/22/30/970192230.db2.gz SZUHXIJIWKBDQY-UHFFFAOYSA-N 2 1 243.314 1.547 20 0 BDADMP C[C@H]([NH3+])c1ccn([C@@H]2CCC[N@@H+](C)C2)n1 ZINC001255471835 970192722 /nfs/dbraw/zinc/19/27/22/970192722.db2.gz HUYBLKQSSORFEY-VHSXEESVSA-N 2 1 208.309 1.170 20 0 BDADMP C[N@H+]1CCC[C@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001255475065 970205933 /nfs/dbraw/zinc/20/59/33/970205933.db2.gz KWOWBUZOXFUTDY-LBPRGKRZSA-N 2 1 244.342 1.762 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1CCC[NH+](C)C1 ZINC001255484201 970230566 /nfs/dbraw/zinc/23/05/66/970230566.db2.gz WZNJIMMHVXXTMW-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC001255484201 970230578 /nfs/dbraw/zinc/23/05/78/970230578.db2.gz WZNJIMMHVXXTMW-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1CCC[N@@H+](C)C1 ZINC001255484201 970230591 /nfs/dbraw/zinc/23/05/91/970230591.db2.gz WZNJIMMHVXXTMW-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001255487779 970235370 /nfs/dbraw/zinc/23/53/70/970235370.db2.gz VJWWTPFMBDANNO-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN([C@H]3CCC[NH+](C)C3)C2)C1 ZINC001255492626 970249966 /nfs/dbraw/zinc/24/99/66/970249966.db2.gz IYUAJWMTJZESDD-UONOGXRCSA-N 2 1 237.391 1.108 20 0 BDADMP CC[N@H+]1CCN([C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001255493277 970257252 /nfs/dbraw/zinc/25/72/52/970257252.db2.gz AYWGDIRFDWIRLR-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC001255493277 970257267 /nfs/dbraw/zinc/25/72/67/970257267.db2.gz AYWGDIRFDWIRLR-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC001255493277 970257278 /nfs/dbraw/zinc/25/72/78/970257278.db2.gz AYWGDIRFDWIRLR-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC001170119274 970347896 /nfs/dbraw/zinc/34/78/96/970347896.db2.gz XBYZERAKYPOLLO-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP COCC1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255673841 970452032 /nfs/dbraw/zinc/45/20/32/970452032.db2.gz GEZMUHHDYDUZSZ-PBWFPOADSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001255677994 970452096 /nfs/dbraw/zinc/45/20/96/970452096.db2.gz XJXRXWSSWDPASL-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001255677994 970452101 /nfs/dbraw/zinc/45/21/01/970452101.db2.gz XJXRXWSSWDPASL-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1O ZINC001255677994 970452105 /nfs/dbraw/zinc/45/21/05/970452105.db2.gz XJXRXWSSWDPASL-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1O ZINC001255677994 970452111 /nfs/dbraw/zinc/45/21/11/970452111.db2.gz XJXRXWSSWDPASL-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001170151704 970460060 /nfs/dbraw/zinc/46/00/60/970460060.db2.gz RQWIVSVMXOAUJZ-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001276709737 970476123 /nfs/dbraw/zinc/47/61/23/970476123.db2.gz PAQAIYFUTZFXCY-AGUYFDCRSA-N 3 1 237.391 1.201 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400011737 970538049 /nfs/dbraw/zinc/53/80/49/970538049.db2.gz WMEUZJKMIKWSAO-UONOGXRCSA-N 2 1 238.375 1.175 20 0 BDADMP CC[C@H]1C[C@@H]([N@@H+](C)C2CCN(C)CC2)CCO1 ZINC001170202313 970597051 /nfs/dbraw/zinc/59/70/51/970597051.db2.gz GEAGPPZERLPWLO-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP C1CC1[NH+]1CCC([NH2+]C23CC(C2)C3)CC1 ZINC001256066773 970631241 /nfs/dbraw/zinc/63/12/41/970631241.db2.gz PWOWTCQEVKONSI-UHFFFAOYSA-N 2 1 206.333 1.755 20 0 BDADMP c1cnc(CC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC001256068984 970637569 /nfs/dbraw/zinc/63/75/69/970637569.db2.gz MPEMNRJRFMUGID-UHFFFAOYSA-N 2 1 246.358 1.236 20 0 BDADMP c1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)ncn1 ZINC001256074451 970642429 /nfs/dbraw/zinc/64/24/29/970642429.db2.gz ZMDUNJMFRINVCA-UHFFFAOYSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001256202233 970685832 /nfs/dbraw/zinc/68/58/32/970685832.db2.gz BAVOPQVTYUZADS-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001256202233 970685837 /nfs/dbraw/zinc/68/58/37/970685837.db2.gz BAVOPQVTYUZADS-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC001256194790 970689491 /nfs/dbraw/zinc/68/94/91/970689491.db2.gz OAMZLQKQTDOFHE-UHFFFAOYSA-N 2 1 249.358 1.588 20 0 BDADMP C[NH+]1CCC([NH2+]C2CCC(CC[NH3+])CC2)CC1 ZINC001256199542 970693452 /nfs/dbraw/zinc/69/34/52/970693452.db2.gz DPKHYQQINUDYNS-UHFFFAOYSA-N 3 1 239.407 1.578 20 0 BDADMP C[NH+]1CCC(NCC[NH+]2CCC(F)CC2)CC1 ZINC001256198773 970693962 /nfs/dbraw/zinc/69/39/62/970693962.db2.gz UYBZEXFGIBQNGB-UHFFFAOYSA-N 2 1 243.370 1.104 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@@H]1O ZINC001256203022 970700024 /nfs/dbraw/zinc/70/00/24/970700024.db2.gz PDNVRJKSSGHQSY-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@@H]1O ZINC001256203022 970700034 /nfs/dbraw/zinc/70/00/34/970700034.db2.gz PDNVRJKSSGHQSY-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001256202476 970700324 /nfs/dbraw/zinc/70/03/24/970700324.db2.gz FIMYHEAGRMLWSM-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@H]1O ZINC001256203019 970702458 /nfs/dbraw/zinc/70/24/58/970702458.db2.gz PDNVRJKSSGHQSY-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@H]1O ZINC001256203019 970702468 /nfs/dbraw/zinc/70/24/68/970702468.db2.gz PDNVRJKSSGHQSY-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000401741906 970721647 /nfs/dbraw/zinc/72/16/47/970721647.db2.gz HNJRLROHBLBJCO-UHFFFAOYSA-N 2 1 230.315 1.456 20 0 BDADMP CC1CCC([N@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246544659 972608290 /nfs/dbraw/zinc/60/82/90/972608290.db2.gz ROEWMRBEBBRYQR-JXQTWKCFSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246545169 972623847 /nfs/dbraw/zinc/62/38/47/972623847.db2.gz UJEFCPIINPUPMV-PEBLQZBPSA-N 2 1 237.391 1.423 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC001246548422 972685859 /nfs/dbraw/zinc/68/58/59/972685859.db2.gz GMDVCNLXEQYXHL-KBHBFKLGSA-N 3 1 239.407 1.434 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550971 972726935 /nfs/dbraw/zinc/72/69/35/972726935.db2.gz ZNIUGIKXECLFAR-SDDRHHMPSA-N 2 1 236.359 1.557 20 0 BDADMP CCC[C@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246559936 972787614 /nfs/dbraw/zinc/78/76/14/972787614.db2.gz OGXYXCCIYOEZOH-RYUDHWBXSA-N 2 1 214.353 1.351 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@H+](C2CCSCC2)C1 ZINC001246565246 972806365 /nfs/dbraw/zinc/80/63/65/972806365.db2.gz YNYCRTYLUBDDGU-GFCCVEGCSA-N 2 1 244.404 1.058 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568892 972825899 /nfs/dbraw/zinc/82/58/99/972825899.db2.gz SUFKVGFAVDXRJW-IJLUTSLNSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246574099 972866475 /nfs/dbraw/zinc/86/64/75/972866475.db2.gz JWIZBNGPAPHKST-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1CN([C@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246574099 972866478 /nfs/dbraw/zinc/86/64/78/972866478.db2.gz JWIZBNGPAPHKST-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246609297 973030810 /nfs/dbraw/zinc/03/08/10/973030810.db2.gz MDEYIGRBUHEFTA-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246609297 973030824 /nfs/dbraw/zinc/03/08/24/973030824.db2.gz MDEYIGRBUHEFTA-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246636073 973047073 /nfs/dbraw/zinc/04/70/73/973047073.db2.gz BPTRJDPOXZJPNK-STQMWFEESA-N 3 1 237.391 1.202 20 0 BDADMP CC(C)(C)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000042463204 973048692 /nfs/dbraw/zinc/04/86/92/973048692.db2.gz PCGGVLNSHVZYRE-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP C1[C@H]2NCC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)[C@@H]12 ZINC001246661226 973076887 /nfs/dbraw/zinc/07/68/87/973076887.db2.gz KOVPWMKCACQRGC-FUUBYGMNSA-N 2 1 249.402 1.345 20 0 BDADMP C1[C@H]2[NH2+]CCN(C3CCC4(CCC[NH2+]C4)CC3)[C@@H]12 ZINC001246661226 973076902 /nfs/dbraw/zinc/07/69/02/973076902.db2.gz KOVPWMKCACQRGC-FUUBYGMNSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246836708 973131822 /nfs/dbraw/zinc/13/18/22/973131822.db2.gz BOHHDCDWFWTLDL-FRRDWIJNSA-N 2 1 237.391 1.058 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246835706 973133684 /nfs/dbraw/zinc/13/36/84/973133684.db2.gz LWXBNXFDFBNIKN-JHJVBQTASA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246835706 973133703 /nfs/dbraw/zinc/13/37/03/973133703.db2.gz LWXBNXFDFBNIKN-JHJVBQTASA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246850796 973148150 /nfs/dbraw/zinc/14/81/50/973148150.db2.gz DCCKKQVYEUCXND-WZRBSPASSA-N 2 1 220.316 1.634 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246850796 973148157 /nfs/dbraw/zinc/14/81/57/973148157.db2.gz DCCKKQVYEUCXND-WZRBSPASSA-N 2 1 220.316 1.634 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H]3CC[C@]3([NH3+])C1)C2 ZINC001246854666 973173760 /nfs/dbraw/zinc/17/37/60/973173760.db2.gz QNXZIYBFVHBBJL-DGTMBMJNSA-N 2 1 235.375 1.035 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1CCSCC1)C2 ZINC001246865294 973207131 /nfs/dbraw/zinc/20/71/31/973207131.db2.gz ZFUQINYPPRRZGC-ONGXEEELSA-N 2 1 212.362 1.305 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001246874924 973272063 /nfs/dbraw/zinc/27/20/63/973272063.db2.gz WTVMMHHWXVXQBU-SCRDCRAPSA-N 2 1 246.379 1.736 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001246874924 973272085 /nfs/dbraw/zinc/27/20/85/973272085.db2.gz WTVMMHHWXVXQBU-SCRDCRAPSA-N 2 1 246.379 1.736 20 0 BDADMP Cc1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)n[nH]1 ZINC001329172610 973541261 /nfs/dbraw/zinc/54/12/61/973541261.db2.gz IWIWWGQCPICLDC-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1cc(CNC[C@@H]2CCCC[N@H+](C)C2)n[nH]1 ZINC001329172610 973541279 /nfs/dbraw/zinc/54/12/79/973541279.db2.gz IWIWWGQCPICLDC-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[nH]n1 ZINC001329172610 973541298 /nfs/dbraw/zinc/54/12/98/973541298.db2.gz IWIWWGQCPICLDC-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)[nH]n1 ZINC001329172610 973541312 /nfs/dbraw/zinc/54/13/12/973541312.db2.gz IWIWWGQCPICLDC-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@@H]1CCCOC1 ZINC001246928568 973579343 /nfs/dbraw/zinc/57/93/43/973579343.db2.gz AOOUNCXAFIAAPF-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP C[NH+]1CCC(CO[C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001224451280 973658468 /nfs/dbraw/zinc/65/84/68/973658468.db2.gz UMLSOBAARICGIX-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC1CCN(C(=[NH2+])NCC[NH+]2CC=CC2)CC1 ZINC001329343281 973693635 /nfs/dbraw/zinc/69/36/35/973693635.db2.gz SHVQWNPLORSBCY-UHFFFAOYSA-N 2 1 236.363 1.114 20 0 BDADMP COc1[nH+]ccc(NC[C@@H]2CCCC[NH2+]2)c1N ZINC001171329574 973828792 /nfs/dbraw/zinc/82/87/92/973828792.db2.gz KXLKQELIIFODDU-VIFPVBQESA-N 2 1 236.319 1.226 20 0 BDADMP C[N@H+]1CCC[C@H](OCCC[NH+]2CCCC2)CC1 ZINC001224743494 973905470 /nfs/dbraw/zinc/90/54/70/973905470.db2.gz ATYGFBYGVKQBDE-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP Cc1ccc(NC(=[NH2+])NCC[NH+]2CCC2)cc1 ZINC001330022241 974073992 /nfs/dbraw/zinc/07/39/92/974073992.db2.gz NGEIXOVHDKLDCT-UHFFFAOYSA-N 2 1 232.331 1.637 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554452 974097506 /nfs/dbraw/zinc/09/75/06/974097506.db2.gz HQABXWHPJAEYAI-OLZOCXBDSA-N 2 1 249.358 1.363 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)O)C2 ZINC001172098402 974336001 /nfs/dbraw/zinc/33/60/01/974336001.db2.gz DCBFLDSFSFJOQB-CNDDSTCGSA-N 2 1 226.364 1.362 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC[C@@H]1F ZINC001206156213 974340371 /nfs/dbraw/zinc/34/03/71/974340371.db2.gz ORDZVKMPJTZBGO-MQLXINIDSA-N 2 1 238.350 1.960 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC[C@@H]1F ZINC001206156213 974340378 /nfs/dbraw/zinc/34/03/78/974340378.db2.gz ORDZVKMPJTZBGO-MQLXINIDSA-N 2 1 238.350 1.960 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001172101221 974342087 /nfs/dbraw/zinc/34/20/87/974342087.db2.gz XMOGIGHTEZJDMC-YHQUGGNUSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001172101221 974342092 /nfs/dbraw/zinc/34/20/92/974342092.db2.gz XMOGIGHTEZJDMC-YHQUGGNUSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+]3CC[C@H]3C1)C2 ZINC001172133620 974355157 /nfs/dbraw/zinc/35/51/57/974355157.db2.gz UAGREEMBGVHSPQ-LJISPDSOSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@@H+]3CC[C@H]3C1)C2 ZINC001172133620 974355171 /nfs/dbraw/zinc/35/51/71/974355171.db2.gz UAGREEMBGVHSPQ-LJISPDSOSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@H+]3CC[C@H]3C1)C2 ZINC001172133620 974355182 /nfs/dbraw/zinc/35/51/82/974355182.db2.gz UAGREEMBGVHSPQ-LJISPDSOSA-N 2 1 249.402 1.392 20 0 BDADMP CCC[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105703 974365296 /nfs/dbraw/zinc/36/52/96/974365296.db2.gz JHNXWNWGXOERPY-YIYPIFLZSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105703 974365305 /nfs/dbraw/zinc/36/53/05/974365305.db2.gz JHNXWNWGXOERPY-YIYPIFLZSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H]([NH3+])C1)C2 ZINC001172103762 974368233 /nfs/dbraw/zinc/36/82/33/974368233.db2.gz XMLPJIYEGNAGHA-RVMXOQNASA-N 2 1 223.364 1.035 20 0 BDADMP Cc1cnc(C[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172106492 974368488 /nfs/dbraw/zinc/36/84/88/974368488.db2.gz PJGRCXMFRXVDBB-CLLJXQQHSA-N 2 1 248.374 1.838 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001172108827 974373494 /nfs/dbraw/zinc/37/34/94/974373494.db2.gz ZVQGZVJQMBKEEN-VJUFMGLXSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001172108827 974373504 /nfs/dbraw/zinc/37/35/04/974373504.db2.gz ZVQGZVJQMBKEEN-VJUFMGLXSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CSC1)C2 ZINC001172108737 974376975 /nfs/dbraw/zinc/37/69/75/974376975.db2.gz YPOBRSZQCVXGTJ-WLLOZRIZSA-N 2 1 226.389 1.707 20 0 BDADMP C[C@@H](C[NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113644 974380471 /nfs/dbraw/zinc/38/04/71/974380471.db2.gz DZVLTJTXYQIRTR-RVMXOQNASA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113644 974380485 /nfs/dbraw/zinc/38/04/85/974380485.db2.gz DZVLTJTXYQIRTR-RVMXOQNASA-N 3 1 225.380 1.186 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCN1CCC1)C2 ZINC001172113473 974382907 /nfs/dbraw/zinc/38/29/07/974382907.db2.gz HLCQTIJMIOBSDY-ZSOGYDGISA-N 2 1 237.391 1.297 20 0 BDADMP CC(C)[N@H+](CCN)[C@H]1COC(C)(C)C1 ZINC001172271457 974485613 /nfs/dbraw/zinc/48/56/13/974485613.db2.gz WEPMVKXWAIQPSV-SNVBAGLBSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)[N@@H+](CCN)[C@H]1COC(C)(C)C1 ZINC001172271457 974485618 /nfs/dbraw/zinc/48/56/18/974485618.db2.gz WEPMVKXWAIQPSV-SNVBAGLBSA-N 2 1 200.326 1.223 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)[nH]1 ZINC001206163881 974512612 /nfs/dbraw/zinc/51/26/12/974512612.db2.gz HBCHXEUUOMYQEE-NWDGAFQWSA-N 2 1 239.338 1.893 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCO)C[C@@H]1C ZINC001172365438 974642295 /nfs/dbraw/zinc/64/22/95/974642295.db2.gz BPQZXKJSYXUTJI-HZSPNIEDSA-N 2 1 242.407 1.715 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H]2CN)C1 ZINC001172592683 974878423 /nfs/dbraw/zinc/87/84/23/974878423.db2.gz JSXZIHJWAMCNJO-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@H]2CN)C1 ZINC001172592683 974878427 /nfs/dbraw/zinc/87/84/27/974878427.db2.gz JSXZIHJWAMCNJO-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H]2C[NH3+])C1 ZINC001172592683 974878430 /nfs/dbraw/zinc/87/84/30/974878430.db2.gz JSXZIHJWAMCNJO-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@H]2C[NH3+])C1 ZINC001172592683 974878432 /nfs/dbraw/zinc/87/84/32/974878432.db2.gz JSXZIHJWAMCNJO-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP [NH3+]CC[N@H+](CCO)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546076 974879264 /nfs/dbraw/zinc/87/92/64/974879264.db2.gz JIAOWOPICQTOCL-CABCVRRESA-N 2 1 248.370 1.576 20 0 BDADMP [NH3+]CC[N@@H+](CCO)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546076 974879270 /nfs/dbraw/zinc/87/92/70/974879270.db2.gz JIAOWOPICQTOCL-CABCVRRESA-N 2 1 248.370 1.576 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](C)C[NH3+])C1 ZINC001172604054 974881812 /nfs/dbraw/zinc/88/18/12/974881812.db2.gz RLANPTHOCBWHRP-IJLUTSLNSA-N 2 1 242.363 1.245 20 0 BDADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC001204098573 974926588 /nfs/dbraw/zinc/92/65/88/974926588.db2.gz HREFUCBIOVEPSE-KBPBESRZSA-N 2 1 246.354 1.776 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001172919791 974968982 /nfs/dbraw/zinc/96/89/82/974968982.db2.gz XETWWWIVGIWJSN-NXEZZACHSA-N 2 1 200.326 1.271 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+](CC[NH3+])CCO ZINC001173246967 975082936 /nfs/dbraw/zinc/08/29/36/975082936.db2.gz UBBVZDNXJKLIOT-CYBMUJFWSA-N 2 1 230.396 1.844 20 0 BDADMP CCCC[C@H](CC(C)C)[N@@H+](CC[NH3+])CCO ZINC001173246967 975082947 /nfs/dbraw/zinc/08/29/47/975082947.db2.gz UBBVZDNXJKLIOT-CYBMUJFWSA-N 2 1 230.396 1.844 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001173169492 975060185 /nfs/dbraw/zinc/06/01/85/975060185.db2.gz LNNNGHOPLWOSOQ-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H]1CC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001173262727 975118076 /nfs/dbraw/zinc/11/80/76/975118076.db2.gz GKWSLGZZYTZCOI-QJPTWQEYSA-N 2 1 237.347 1.496 20 0 BDADMP CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001173275057 975154286 /nfs/dbraw/zinc/15/42/86/975154286.db2.gz LHACSQGTQWETAJ-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP CCN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173349584 975290622 /nfs/dbraw/zinc/29/06/22/975290622.db2.gz IODDHLKLXMVVHU-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2cccnc2C[NH3+])C1 ZINC001173357112 975316470 /nfs/dbraw/zinc/31/64/70/975316470.db2.gz IBZITUQPLIHMTJ-JTQLQIEISA-N 2 1 220.320 1.046 20 0 BDADMP CC[N@@H+]1CC[C@H](N2CCC(C[NH+](C)C)CC2)C1 ZINC001173363533 975335339 /nfs/dbraw/zinc/33/53/39/975335339.db2.gz OSQZXKVUHRZIQM-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC(C[NH+](C)C)CC2)C1 ZINC001173363533 975335349 /nfs/dbraw/zinc/33/53/49/975335349.db2.gz OSQZXKVUHRZIQM-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CC[C@H](n2c(C)nc3c2CC[NH2+]CC3)C1 ZINC001173364176 975339176 /nfs/dbraw/zinc/33/91/76/975339176.db2.gz PWVBZMXBCSQDCU-LBPRGKRZSA-N 2 1 248.374 1.146 20 0 BDADMP CCN(CC[NH+]1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC001173365994 975345711 /nfs/dbraw/zinc/34/57/11/975345711.db2.gz UIHZHIXBYJVGNI-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CCN(CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC001173368727 975348350 /nfs/dbraw/zinc/34/83/50/975348350.db2.gz RAUYCVWWAQREBQ-CYBMUJFWSA-N 2 1 227.396 1.354 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[N@@H+](CC)C2)C1 ZINC001173372845 975356697 /nfs/dbraw/zinc/35/66/97/975356697.db2.gz RXXLQHCNPHYLLK-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001173374708 975360827 /nfs/dbraw/zinc/36/08/27/975360827.db2.gz MKAPHSCIZHHPHA-CQSZACIVSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2(C)C)C1 ZINC001173374843 975362430 /nfs/dbraw/zinc/36/24/30/975362430.db2.gz OWAJEZKVUMNRFY-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@H+](CC)CC2(C)C)C1 ZINC001173374843 975362436 /nfs/dbraw/zinc/36/24/36/975362436.db2.gz OWAJEZKVUMNRFY-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](CC)CC2(C)C)C1 ZINC001173374843 975362442 /nfs/dbraw/zinc/36/24/42/975362442.db2.gz OWAJEZKVUMNRFY-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C3CCC2(CO)CC3)C1 ZINC001333162893 975517305 /nfs/dbraw/zinc/51/73/05/975517305.db2.gz JVSMLSKKVALQFV-ZFDZMSFRSA-N 2 1 224.348 1.103 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC[C@@H]2C)C1 ZINC001333559077 975849060 /nfs/dbraw/zinc/84/90/60/975849060.db2.gz NHWJKEYMIHFYDL-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC001333559074 975849711 /nfs/dbraw/zinc/84/97/11/975849711.db2.gz NHWJKEYMIHFYDL-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC001334742036 976611837 /nfs/dbraw/zinc/61/18/37/976611837.db2.gz GHCYUSCQEOLEOZ-STQMWFEESA-N 2 1 236.363 1.393 20 0 BDADMP COc1[nH+]ccc(N)c1Nc1cc[nH+]cc1C ZINC001174535990 976811397 /nfs/dbraw/zinc/81/13/97/976811397.db2.gz FGCPDKWXDQGGHT-UHFFFAOYSA-N 2 1 230.271 1.541 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](F)C1)C1CC1 ZINC001335512672 977110131 /nfs/dbraw/zinc/11/01/31/977110131.db2.gz IFHKYNUCXYBFSH-NQBHXWOUSA-N 2 1 244.354 1.312 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](F)C1)C1CC1 ZINC001335512672 977110144 /nfs/dbraw/zinc/11/01/44/977110144.db2.gz IFHKYNUCXYBFSH-NQBHXWOUSA-N 2 1 244.354 1.312 20 0 BDADMP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH+]2CCCC2)C1)C(F)F ZINC001335520801 977113887 /nfs/dbraw/zinc/11/38/87/977113887.db2.gz VUTLMEJVFDHAQO-UMNHJUIQSA-N 2 1 248.317 1.219 20 0 BDADMP CC1CC(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001175210590 977328326 /nfs/dbraw/zinc/32/83/26/977328326.db2.gz CRBFBWKQDLLYAN-PQAZSJQKSA-N 2 1 222.376 1.916 20 0 BDADMP CC1CC(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001175210590 977328330 /nfs/dbraw/zinc/32/83/30/977328330.db2.gz CRBFBWKQDLLYAN-PQAZSJQKSA-N 2 1 222.376 1.916 20 0 BDADMP CC1CC(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001175210590 977328336 /nfs/dbraw/zinc/32/83/36/977328336.db2.gz CRBFBWKQDLLYAN-PQAZSJQKSA-N 2 1 222.376 1.916 20 0 BDADMP CC(C)C[NH+]1CCC(Nc2cc[nH+]c(N)n2)CC1 ZINC001336450380 977691965 /nfs/dbraw/zinc/69/19/65/977691965.db2.gz OFVSJHBHFCFELL-UHFFFAOYSA-N 2 1 249.362 1.591 20 0 BDADMP CC[N@@H+](CCC(N)=O)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014239 977840000 /nfs/dbraw/zinc/84/00/00/977840000.db2.gz LVYSFVONXCYUCX-UHFFFAOYSA-N 2 1 246.314 1.260 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015690 977843811 /nfs/dbraw/zinc/84/38/11/977843811.db2.gz LAGQHWBXERBZLP-MFKMUULPSA-N 2 1 245.326 1.908 20 0 BDADMP C[N@H+](CCF)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018578 977844693 /nfs/dbraw/zinc/84/46/93/977844693.db2.gz MPSRYXYWNORSOP-UHFFFAOYSA-N 2 1 207.252 1.964 20 0 BDADMP C[N@@H+](CCF)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018578 977844695 /nfs/dbraw/zinc/84/46/95/977844695.db2.gz MPSRYXYWNORSOP-UHFFFAOYSA-N 2 1 207.252 1.964 20 0 BDADMP c1c(C[N@@H+]2CC[C@]23CCOC3)[nH]c2cc[nH+]cc12 ZINC001232018577 977846019 /nfs/dbraw/zinc/84/60/19/977846019.db2.gz MLACZJCXZMZBHE-CQSZACIVSA-N 2 1 243.310 1.928 20 0 BDADMP c1c(C[N@H+]2CC[C@]23CCOC3)[nH]c2cc[nH+]cc12 ZINC001232018577 977846023 /nfs/dbraw/zinc/84/60/23/977846023.db2.gz MLACZJCXZMZBHE-CQSZACIVSA-N 2 1 243.310 1.928 20 0 BDADMP CC1([NH+]2CCC2)CCN(c2cc(N)[nH+]cn2)CC1 ZINC001336715679 977879100 /nfs/dbraw/zinc/87/91/00/977879100.db2.gz XLJDGYAXAFKAAK-UHFFFAOYSA-N 2 1 247.346 1.123 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001176069128 977912516 /nfs/dbraw/zinc/91/25/16/977912516.db2.gz GRBOLIUATJNENI-BFHYXJOUSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001176069128 977912525 /nfs/dbraw/zinc/91/25/25/977912525.db2.gz GRBOLIUATJNENI-BFHYXJOUSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001176069128 977912534 /nfs/dbraw/zinc/91/25/34/977912534.db2.gz GRBOLIUATJNENI-BFHYXJOUSA-N 2 1 237.391 1.249 20 0 BDADMP Cc1cc[nH+]c(N2CCC3(C[NH+](C)C3)CC2)c1 ZINC001277680146 978178933 /nfs/dbraw/zinc/17/89/33/978178933.db2.gz JGXHBGVYSJSCOI-UHFFFAOYSA-N 2 1 231.343 1.922 20 0 BDADMP C[C@@H](O)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008492 978270382 /nfs/dbraw/zinc/27/03/82/978270382.db2.gz KVGGOFFBYCFJGR-MCIONIFRSA-N 2 1 238.375 1.175 20 0 BDADMP C[C@@H](O)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177008492 978270390 /nfs/dbraw/zinc/27/03/90/978270390.db2.gz KVGGOFFBYCFJGR-MCIONIFRSA-N 2 1 238.375 1.175 20 0 BDADMP C[C@@H](O)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177008492 978270401 /nfs/dbraw/zinc/27/04/01/978270401.db2.gz KVGGOFFBYCFJGR-MCIONIFRSA-N 2 1 238.375 1.175 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206294030 978295247 /nfs/dbraw/zinc/29/52/47/978295247.db2.gz IOZKZHQUUHVMAR-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH+]cc1 ZINC001337707996 978468572 /nfs/dbraw/zinc/46/85/72/978468572.db2.gz AYPGUYJXNXEVBD-GFCCVEGCSA-N 2 1 219.332 1.860 20 0 BDADMP c1cc(NC[C@H]2CCCC[N@H+]2C2CC2)cc[nH+]1 ZINC001337709788 978468939 /nfs/dbraw/zinc/46/89/39/978468939.db2.gz PKELIXWEFZQXHZ-CQSZACIVSA-N 2 1 231.343 1.932 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNc1nccnc1C[NH3+] ZINC001337917441 978561378 /nfs/dbraw/zinc/56/13/78/978561378.db2.gz QQRZZGMTZXXONK-SNVBAGLBSA-N 2 1 249.362 1.220 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc[nH+]1 ZINC001338162082 978622404 /nfs/dbraw/zinc/62/24/04/978622404.db2.gz GXULUHDNJKEGIZ-IACUBPJLSA-N 2 1 231.343 1.564 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c(CO)c3)[C@@H]2C1 ZINC001338296289 978655169 /nfs/dbraw/zinc/65/51/69/978655169.db2.gz HNFMDFSAESNLBX-GDLCADMTSA-N 2 1 247.342 1.326 20 0 BDADMP CCc1[nH]c(CN2C[C@H](F)C[C@H]([NH3+])C2)c(C)[nH+]1 ZINC001206404524 978785532 /nfs/dbraw/zinc/78/55/32/978785532.db2.gz LTPRPEUXQKRICT-ZJUUUORDSA-N 2 1 240.326 1.152 20 0 BDADMP Cc1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234983949 978944066 /nfs/dbraw/zinc/94/40/66/978944066.db2.gz ZZESJFOJLPFQKH-OAHLLOKOSA-N 2 1 245.370 1.132 20 0 BDADMP c1[nH+]c(CN2CC[C@@H]3[NH2+]CC[C@H]32)n2ccccc12 ZINC001235042010 978961321 /nfs/dbraw/zinc/96/13/21/978961321.db2.gz ODAPWWCHKQPMEF-QWHCGFSZSA-N 2 1 242.326 1.271 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127122 978982171 /nfs/dbraw/zinc/98/21/71/978982171.db2.gz XOHAMZHPPPTSHK-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)N1CCCC[C@@]12CC[NH2+]C2 ZINC001235127122 978982176 /nfs/dbraw/zinc/98/21/76/978982176.db2.gz XOHAMZHPPPTSHK-AWEZNQCLSA-N 2 1 237.391 1.204 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC001235138631 978982851 /nfs/dbraw/zinc/98/28/51/978982851.db2.gz BSUOOQHLJCRDGA-GFCCVEGCSA-N 2 1 245.370 1.793 20 0 BDADMP OCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235425516 979043521 /nfs/dbraw/zinc/04/35/21/979043521.db2.gz LNCYBYFGUCQWMS-KGLIPLIRSA-N 2 1 240.391 1.471 20 0 BDADMP CO[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](C)[NH3+])C[C@@H]21 ZINC001235624973 979106881 /nfs/dbraw/zinc/10/68/81/979106881.db2.gz NJTMXPRVEXGUBU-WISYIIOYSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H](C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)c1ccccc1 ZINC001206454231 979131024 /nfs/dbraw/zinc/13/10/24/979131024.db2.gz CKTICMCSWGAUAK-FPMFFAJLSA-N 2 1 234.343 1.042 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001235715885 979136048 /nfs/dbraw/zinc/13/60/48/979136048.db2.gz WZLJRNGBJVIEDY-ZDUSSCGKSA-N 2 1 219.332 1.610 20 0 BDADMP [NH3+]CCCC[N@H+]1CCNC[C@@H]1Cc1ccccc1 ZINC001235847372 979170183 /nfs/dbraw/zinc/17/01/83/979170183.db2.gz HFZWCVNSUUFBCD-HNNXBMFYSA-N 2 1 247.386 1.242 20 0 BDADMP [NH3+]CCCCN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235847372 979170187 /nfs/dbraw/zinc/17/01/87/979170187.db2.gz HFZWCVNSUUFBCD-HNNXBMFYSA-N 2 1 247.386 1.242 20 0 BDADMP C[C@@H]1C[N@H+](CC2(C)CC[NH2+]CC2)C[C@H](C)N1 ZINC001235897478 979188345 /nfs/dbraw/zinc/18/83/45/979188345.db2.gz VZSGFDVZRXATQE-TXEJJXNPSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CC2(C)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001235897478 979188348 /nfs/dbraw/zinc/18/83/48/979188348.db2.gz VZSGFDVZRXATQE-TXEJJXNPSA-N 2 1 225.380 1.058 20 0 BDADMP COC(=O)CC[C@@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001235934966 979201352 /nfs/dbraw/zinc/20/13/52/979201352.db2.gz QMVMQMNJEPTEHL-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP COc1ccc(CC[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235980597 979247945 /nfs/dbraw/zinc/24/79/45/979247945.db2.gz RDYMSRHPJFTMTP-ZFWWWQNUSA-N 2 1 246.354 1.661 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235980597 979247958 /nfs/dbraw/zinc/24/79/58/979247958.db2.gz RDYMSRHPJFTMTP-ZFWWWQNUSA-N 2 1 246.354 1.661 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235980525 979248277 /nfs/dbraw/zinc/24/82/77/979248277.db2.gz MZAHEWNWAPOQKY-UONOGXRCSA-N 2 1 216.328 1.918 20 0 BDADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235980525 979248285 /nfs/dbraw/zinc/24/82/85/979248285.db2.gz MZAHEWNWAPOQKY-UONOGXRCSA-N 2 1 216.328 1.918 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001206458264 979253203 /nfs/dbraw/zinc/25/32/03/979253203.db2.gz YARGLMSLSAFFFW-WDEREUQCSA-N 2 1 248.317 1.063 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979950 979254598 /nfs/dbraw/zinc/25/45/98/979254598.db2.gz OTYZCYZXWTVJLR-ZIAGYGMSSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979950 979254609 /nfs/dbraw/zinc/25/46/09/979254609.db2.gz OTYZCYZXWTVJLR-ZIAGYGMSSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235980962 979255732 /nfs/dbraw/zinc/25/57/32/979255732.db2.gz SQOCATRWCNZMMI-JSGCOSHPSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235980962 979255738 /nfs/dbraw/zinc/25/57/38/979255738.db2.gz SQOCATRWCNZMMI-JSGCOSHPSA-N 3 1 237.391 1.141 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCc1cccs1)C2 ZINC001235981937 979257835 /nfs/dbraw/zinc/25/78/35/979257835.db2.gz YTHXTMGTBJRFLD-CMPLNLGQSA-N 2 1 222.357 1.714 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCc1cccs1)C2 ZINC001235981937 979257842 /nfs/dbraw/zinc/25/78/42/979257842.db2.gz YTHXTMGTBJRFLD-CMPLNLGQSA-N 2 1 222.357 1.714 20 0 BDADMP CC[N@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001236005342 979292412 /nfs/dbraw/zinc/29/24/12/979292412.db2.gz LDPVONVUFUZZPY-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001236005342 979292424 /nfs/dbraw/zinc/29/24/24/979292424.db2.gz LDPVONVUFUZZPY-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1N ZINC001236214209 979453138 /nfs/dbraw/zinc/45/31/38/979453138.db2.gz RHJBCBZXQNYHAU-UONOGXRCSA-N 2 1 239.407 1.578 20 0 BDADMP CN(CCC1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214209 979453144 /nfs/dbraw/zinc/45/31/44/979453144.db2.gz RHJBCBZXQNYHAU-UONOGXRCSA-N 2 1 239.407 1.578 20 0 BDADMP CC1(C)C[C@@H](C[N@@H+]2CCC[C@@H]2C[NH3+])CCO1 ZINC001236244879 979463368 /nfs/dbraw/zinc/46/33/68/979463368.db2.gz OCYJIZQAXHRHNR-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP CC1(C)C[C@@H](C[N@H+]2CCC[C@@H]2C[NH3+])CCO1 ZINC001236244879 979463371 /nfs/dbraw/zinc/46/33/71/979463371.db2.gz OCYJIZQAXHRHNR-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2CN)CC1 ZINC001236245412 979466742 /nfs/dbraw/zinc/46/67/42/979466742.db2.gz SVPAZFOAALNMIM-CYBMUJFWSA-N 2 1 225.380 1.141 20 0 BDADMP C[NH+]1CCC(CCN2CCC[C@@H]2C[NH3+])CC1 ZINC001236245412 979466747 /nfs/dbraw/zinc/46/67/47/979466747.db2.gz SVPAZFOAALNMIM-CYBMUJFWSA-N 2 1 225.380 1.141 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001236245412 979466751 /nfs/dbraw/zinc/46/67/51/979466751.db2.gz SVPAZFOAALNMIM-CYBMUJFWSA-N 3 1 225.380 1.141 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001236245412 979466760 /nfs/dbraw/zinc/46/67/60/979466760.db2.gz SVPAZFOAALNMIM-CYBMUJFWSA-N 3 1 225.380 1.141 20 0 BDADMP C([C@H]1CCCC[NH2+]1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314139 979523543 /nfs/dbraw/zinc/52/35/43/979523543.db2.gz HIYDIABESVXTMI-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@H]1CCCC[NH2+]1)N1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314139 979523551 /nfs/dbraw/zinc/52/35/51/979523551.db2.gz HIYDIABESVXTMI-HZSPNIEDSA-N 2 1 237.391 1.060 20 0 BDADMP c1cncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313971 979523585 /nfs/dbraw/zinc/52/35/85/979523585.db2.gz CGJKMQNUDMNORP-OKILXGFUSA-N 2 1 231.343 1.513 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1C ZINC001236314736 979524558 /nfs/dbraw/zinc/52/45/58/979524558.db2.gz GEJYDFPWULCQEG-BETUJISGSA-N 2 1 248.374 1.160 20 0 BDADMP Fc1cnccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315660 979528945 /nfs/dbraw/zinc/52/89/45/979528945.db2.gz MGAIQLXYIMKXPZ-TXEJJXNPSA-N 2 1 249.333 1.652 20 0 BDADMP Cc1cnc2c(c1)C[N@H+](CCCC[NH3+])CC2 ZINC001236355671 979549773 /nfs/dbraw/zinc/54/97/73/979549773.db2.gz LCRBZUXWTXWPGF-UHFFFAOYSA-N 2 1 219.332 1.487 20 0 BDADMP CC[N@H+](C)C1CC[NH+](CCCCCO)CC1 ZINC001236459761 979602150 /nfs/dbraw/zinc/60/21/50/979602150.db2.gz FGYHSBJUVOAPKF-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CCCCCO)CC1 ZINC001236459761 979602159 /nfs/dbraw/zinc/60/21/59/979602159.db2.gz FGYHSBJUVOAPKF-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP CC[C@H](N)C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552672 979634576 /nfs/dbraw/zinc/63/45/76/979634576.db2.gz YUPWKAZUHSIFEY-IHRRRGAJSA-N 2 1 241.423 1.952 20 0 BDADMP CNCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551282 979634791 /nfs/dbraw/zinc/63/47/91/979634791.db2.gz NTWMKBXEKIKUQO-JOCQHMNTSA-N 2 1 227.396 1.434 20 0 BDADMP C[NH2+]CCN(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551282 979634801 /nfs/dbraw/zinc/63/48/01/979634801.db2.gz NTWMKBXEKIKUQO-JOCQHMNTSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H](N)C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551679 979635665 /nfs/dbraw/zinc/63/56/65/979635665.db2.gz KTMKMQZTEUGTMH-DRZSPHRISA-N 2 1 225.380 1.316 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206541715 979641592 /nfs/dbraw/zinc/64/15/92/979641592.db2.gz IFLYDCLYPCQZSA-ZIAGYGMSSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206541454 979642308 /nfs/dbraw/zinc/64/23/08/979642308.db2.gz HRQGOAJBBIHBSN-HSBZDZAISA-N 3 1 237.391 1.319 20 0 BDADMP C[C@@]1(CN)CCCC[N@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206541454 979642319 /nfs/dbraw/zinc/64/23/19/979642319.db2.gz HRQGOAJBBIHBSN-HSBZDZAISA-N 2 1 237.391 1.319 20 0 BDADMP C[C@@]1(CN)CCCC[N@@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206541454 979642328 /nfs/dbraw/zinc/64/23/28/979642328.db2.gz HRQGOAJBBIHBSN-HSBZDZAISA-N 2 1 237.391 1.319 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205257204 979757588 /nfs/dbraw/zinc/75/75/88/979757588.db2.gz UAXJDMVAHBAVBM-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001236861270 979765801 /nfs/dbraw/zinc/76/58/01/979765801.db2.gz YKRWCCOVUICNNV-RYUDHWBXSA-N 3 1 213.369 1.045 20 0 BDADMP CC[C@H]([NH3+])CN(C)CC[C@@H]1CCC[NH2+]C1 ZINC001236861270 979765807 /nfs/dbraw/zinc/76/58/07/979765807.db2.gz YKRWCCOVUICNNV-RYUDHWBXSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@H](N)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001236861270 979765813 /nfs/dbraw/zinc/76/58/13/979765813.db2.gz YKRWCCOVUICNNV-RYUDHWBXSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@H](N)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001236861270 979765817 /nfs/dbraw/zinc/76/58/17/979765817.db2.gz YKRWCCOVUICNNV-RYUDHWBXSA-N 2 1 213.369 1.045 20 0 BDADMP C[C@H]([NH3+])CN(C)Cc1[nH+]cc2ccccn21 ZINC001236885833 979784960 /nfs/dbraw/zinc/78/49/60/979784960.db2.gz UOHMJSUYDJPJSN-JTQLQIEISA-N 2 1 218.304 1.113 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2nn(C)cc21 ZINC001236898970 979788332 /nfs/dbraw/zinc/78/83/32/979788332.db2.gz DLSFJMGJDALJNV-JTQLQIEISA-N 2 1 232.331 1.352 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2nn(C)cc21 ZINC001236898970 979788342 /nfs/dbraw/zinc/78/83/42/979788342.db2.gz DLSFJMGJDALJNV-JTQLQIEISA-N 2 1 232.331 1.352 20 0 BDADMP CCCCOC(=O)[C@@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001237016038 979803584 /nfs/dbraw/zinc/80/35/84/979803584.db2.gz NQTYDNZTWJSUAV-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cncnc2)CC1 ZINC001205264283 979811445 /nfs/dbraw/zinc/81/14/45/979811445.db2.gz IZMNXZQLOGOBCL-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cncnc2)CC1 ZINC001205264283 979811449 /nfs/dbraw/zinc/81/14/49/979811449.db2.gz IZMNXZQLOGOBCL-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cncnc2)CC1 ZINC001205264284 979811643 /nfs/dbraw/zinc/81/16/43/979811643.db2.gz IZMNXZQLOGOBCL-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cncnc2)CC1 ZINC001205264284 979811647 /nfs/dbraw/zinc/81/16/47/979811647.db2.gz IZMNXZQLOGOBCL-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccncc2)CC1 ZINC001205263829 979812970 /nfs/dbraw/zinc/81/29/70/979812970.db2.gz COPDLRICDLWEFJ-CYBMUJFWSA-N 2 1 219.332 1.785 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001205265680 979814002 /nfs/dbraw/zinc/81/40/02/979814002.db2.gz QQYWVCFYBFBIKY-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP CCOC(=O)C[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C[C@H]1C ZINC001237114652 979819262 /nfs/dbraw/zinc/81/92/62/979819262.db2.gz LMMRFVHBHLQUFP-WOPDTQHZSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)C[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C[C@H]1C ZINC001237114652 979819265 /nfs/dbraw/zinc/81/92/65/979819265.db2.gz LMMRFVHBHLQUFP-WOPDTQHZSA-N 2 1 242.363 1.245 20 0 BDADMP [NH3+]CCCC[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237219756 979852281 /nfs/dbraw/zinc/85/22/81/979852281.db2.gz OCWYORKFBMRAEM-GFCCVEGCSA-N 2 1 209.337 1.067 20 0 BDADMP C[C@H]([NH3+])CN1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001237249690 979855563 /nfs/dbraw/zinc/85/55/63/979855563.db2.gz QRECZNZFUSZZBB-STQMWFEESA-N 2 1 239.407 1.672 20 0 BDADMP [NH3+]CCCC[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001237276418 979858486 /nfs/dbraw/zinc/85/84/86/979858486.db2.gz VQUNRHZROASYDF-QWRGUYRKSA-N 2 1 210.321 1.026 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238104066 980151628 /nfs/dbraw/zinc/15/16/28/980151628.db2.gz RPZIUXSNIOSZIP-BXUZGUMPSA-N 2 1 245.326 1.537 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238104066 980151637 /nfs/dbraw/zinc/15/16/37/980151637.db2.gz RPZIUXSNIOSZIP-BXUZGUMPSA-N 2 1 245.326 1.537 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238119671 980169643 /nfs/dbraw/zinc/16/96/43/980169643.db2.gz PURKOVLQXYCIFM-BXUZGUMPSA-N 2 1 245.326 1.680 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238119671 980169649 /nfs/dbraw/zinc/16/96/49/980169649.db2.gz PURKOVLQXYCIFM-BXUZGUMPSA-N 2 1 245.326 1.680 20 0 BDADMP CCc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)nc(C)n1 ZINC001186509925 980387327 /nfs/dbraw/zinc/38/73/27/980387327.db2.gz RHRLSCWSDQFWGL-YPMHNXCESA-N 2 1 246.358 1.488 20 0 BDADMP Cc1ccccc1NC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC001346588765 980865872 /nfs/dbraw/zinc/86/58/72/980865872.db2.gz LBNCLOWJGFBHHK-LLVKDONJSA-N 2 1 234.347 1.881 20 0 BDADMP COC(C)(C)CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545348 980944750 /nfs/dbraw/zinc/94/47/50/980944750.db2.gz DSIHWDXNMRSWOV-ZDUSSCGKSA-N 2 1 246.370 1.954 20 0 BDADMP COC(C)(C)CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545347 980945475 /nfs/dbraw/zinc/94/54/75/980945475.db2.gz DSIHWDXNMRSWOV-CYBMUJFWSA-N 2 1 246.370 1.954 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001192387967 981152343 /nfs/dbraw/zinc/15/23/43/981152343.db2.gz CVOHSAMZISQGQI-WDEREUQCSA-N 2 1 241.285 1.779 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001192387967 981152346 /nfs/dbraw/zinc/15/23/46/981152346.db2.gz CVOHSAMZISQGQI-WDEREUQCSA-N 2 1 241.285 1.779 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)COC1 ZINC001205601314 981160058 /nfs/dbraw/zinc/16/00/58/981160058.db2.gz DKIXKXKCEVDXQU-CHWSQXEVSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2nccs2)CC[C@H]1C[NH3+] ZINC001205602217 981164196 /nfs/dbraw/zinc/16/41/96/981164196.db2.gz HSWPEODUTOBCAE-MNOVXSKESA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnn2)CC[C@H]1C[NH3+] ZINC001205626548 981272902 /nfs/dbraw/zinc/27/29/02/981272902.db2.gz HBXWLCWHWXEKPY-NEPJUHHUSA-N 2 1 234.347 1.283 20 0 BDADMP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c[nH]1 ZINC001205639303 981426830 /nfs/dbraw/zinc/42/68/30/981426830.db2.gz YRSNOBBXZMAMKR-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205639303 981426836 /nfs/dbraw/zinc/42/68/36/981426836.db2.gz YRSNOBBXZMAMKR-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205639303 981426841 /nfs/dbraw/zinc/42/68/41/981426841.db2.gz YRSNOBBXZMAMKR-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@](C)(CO)C2)CC[NH2+]C1 ZINC001349321169 981529256 /nfs/dbraw/zinc/52/92/56/981529256.db2.gz YZYXXJNPHMZJQL-QWHCGFSZSA-N 2 1 226.364 1.080 20 0 BDADMP OC[C@]12CCC[C@H]1C[N@@H+](CCC[NH2+]C1CC1)C2 ZINC001580884595 981692850 /nfs/dbraw/zinc/69/28/50/981692850.db2.gz IMBDBTWAMQEDCD-GXTWGEPZSA-N 2 1 238.375 1.223 20 0 BDADMP c1cc2n(n1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001580892580 981727588 /nfs/dbraw/zinc/72/75/88/981727588.db2.gz XZSQQJVXWDUWFD-UHFFFAOYSA-N 2 1 234.347 1.088 20 0 BDADMP c1cnc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cn1 ZINC001580896428 981727766 /nfs/dbraw/zinc/72/77/66/981727766.db2.gz BHEJDHXESMJBFD-QWHCGFSZSA-N 2 1 246.358 1.266 20 0 BDADMP Cc1cccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205664125 981813907 /nfs/dbraw/zinc/81/39/07/981813907.db2.gz MBGSQKVIBWRUHM-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205664125 981813910 /nfs/dbraw/zinc/81/39/10/981813910.db2.gz MBGSQKVIBWRUHM-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP c1nn(C2CCC2)cc1C[NH2+]CCCN1CCC1 ZINC001350891166 982113618 /nfs/dbraw/zinc/11/36/18/982113618.db2.gz SAAZUBFXHCEODJ-UHFFFAOYSA-N 2 1 248.374 1.794 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)O1 ZINC001196781677 982493084 /nfs/dbraw/zinc/49/30/84/982493084.db2.gz FZHWFNXGFMGCER-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)O1 ZINC001196781677 982493087 /nfs/dbraw/zinc/49/30/87/982493087.db2.gz FZHWFNXGFMGCER-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)O1 ZINC001196781677 982493094 /nfs/dbraw/zinc/49/30/94/982493094.db2.gz FZHWFNXGFMGCER-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)O1 ZINC001196781679 982493814 /nfs/dbraw/zinc/49/38/14/982493814.db2.gz FZHWFNXGFMGCER-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)O1 ZINC001196781679 982493819 /nfs/dbraw/zinc/49/38/19/982493819.db2.gz FZHWFNXGFMGCER-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)O1 ZINC001196781679 982493824 /nfs/dbraw/zinc/49/38/24/982493824.db2.gz FZHWFNXGFMGCER-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001205832109 982689935 /nfs/dbraw/zinc/68/99/35/982689935.db2.gz ZMRLZEYZEIPNSF-SWLSCSKDSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001205832109 982689961 /nfs/dbraw/zinc/68/99/61/982689961.db2.gz ZMRLZEYZEIPNSF-SWLSCSKDSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1N ZINC001205863215 982915776 /nfs/dbraw/zinc/91/57/76/982915776.db2.gz JYHYRVKFLMMBKE-OLZOCXBDSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1N ZINC001205863215 982915792 /nfs/dbraw/zinc/91/57/92/982915792.db2.gz JYHYRVKFLMMBKE-OLZOCXBDSA-N 2 1 239.407 1.387 20 0 BDADMP c1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)cc[nH+]1 ZINC001354040093 983122300 /nfs/dbraw/zinc/12/23/00/983122300.db2.gz HDOCHMJMWOGGFM-AWEZNQCLSA-N 2 1 247.342 1.169 20 0 BDADMP CCCC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001252106602 983644401 /nfs/dbraw/zinc/64/44/01/983644401.db2.gz AAPSBAXKTYTODH-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP OC1(C[NH2+][C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC001357125925 983665635 /nfs/dbraw/zinc/66/56/35/983665635.db2.gz KZQWXDBFVNAKCL-LBPRGKRZSA-N 2 1 249.358 1.483 20 0 BDADMP C[C@H]1CN(CC2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000202092101 984005275 /nfs/dbraw/zinc/00/52/75/984005275.db2.gz ZXXWWCIYRRMDKA-RYUDHWBXSA-N 2 1 225.380 1.010 20 0 BDADMP CN1CCC[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001202597817 984106281 /nfs/dbraw/zinc/10/62/81/984106281.db2.gz GOJDVIFBKIOUSD-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP C1CCC2(C1)[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCO[C@@H]12 ZINC001574796501 984116857 /nfs/dbraw/zinc/11/68/57/984116857.db2.gz XEDDERFOHLEGNT-RVMXOQNASA-N 2 1 236.359 1.286 20 0 BDADMP C1CCC2(C1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCO[C@@H]12 ZINC001574796504 984118039 /nfs/dbraw/zinc/11/80/39/984118039.db2.gz XEDDERFOHLEGNT-VOAKCMCISA-N 2 1 236.359 1.286 20 0 BDADMP C[C@@H]([NH3+])C[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001576159739 984162542 /nfs/dbraw/zinc/16/25/42/984162542.db2.gz VQNAAPWOFOCWEV-XNWIYYODSA-N 2 1 228.336 1.044 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576272526 984165431 /nfs/dbraw/zinc/16/54/31/984165431.db2.gz LYDHRFYQWQZHNU-WUHRBBMRSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576271072 984165552 /nfs/dbraw/zinc/16/55/52/984165552.db2.gz BWHSOZKDHUMHIP-MROQNXINSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001576690642 984181819 /nfs/dbraw/zinc/18/18/19/984181819.db2.gz LHKBIRDVGMOCKY-MGPQQGTHSA-N 2 1 240.391 1.781 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001578241813 984210673 /nfs/dbraw/zinc/21/06/73/984210673.db2.gz MWGLVLGJINWPJN-FQUUOJAGSA-N 2 1 237.391 1.343 20 0 BDADMP C[N@@H+](C[C@H](O)CC1CCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578442172 984212332 /nfs/dbraw/zinc/21/23/32/984212332.db2.gz OCZRVRSSSBHVMR-MQYQWHSLSA-N 2 1 238.375 1.077 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnsc2)C1 ZINC001202750322 984213499 /nfs/dbraw/zinc/21/34/99/984213499.db2.gz QYHBKHWMRIWODY-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+](C)CCc1ccc(C)cc1 ZINC001578653438 984220525 /nfs/dbraw/zinc/22/05/25/984220525.db2.gz YIUZKXZWVAWGCP-CQSZACIVSA-N 2 1 236.359 1.050 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+](C)CCc1ccc(C)cc1 ZINC001578653438 984220535 /nfs/dbraw/zinc/22/05/35/984220535.db2.gz YIUZKXZWVAWGCP-CQSZACIVSA-N 2 1 236.359 1.050 20 0 BDADMP COCC[C@H]([NH3+])C[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001579001211 984246231 /nfs/dbraw/zinc/24/62/31/984246231.db2.gz GXYWKXRTKWRUGT-SDDRHHMPSA-N 2 1 244.404 1.035 20 0 BDADMP COCC[C@H]([NH3+])C[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001579001211 984246238 /nfs/dbraw/zinc/24/62/38/984246238.db2.gz GXYWKXRTKWRUGT-SDDRHHMPSA-N 2 1 244.404 1.035 20 0 BDADMP COCC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001274980216 984431799 /nfs/dbraw/zinc/43/17/99/984431799.db2.gz HHZYLQOPOUYUMU-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC001275167662 984506910 /nfs/dbraw/zinc/50/69/10/984506910.db2.gz FWQOATCRBDJIRP-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC001275167662 984506923 /nfs/dbraw/zinc/50/69/23/984506923.db2.gz FWQOATCRBDJIRP-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC001275167662 984506937 /nfs/dbraw/zinc/50/69/37/984506937.db2.gz FWQOATCRBDJIRP-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP C1=C(c2ccccc2C[NH+]2CCOCC2)C[NH2+]C1 ZINC001243111522 984578251 /nfs/dbraw/zinc/57/82/51/984578251.db2.gz GFNOHEQIXFYBQT-UHFFFAOYSA-N 2 1 244.338 1.505 20 0 BDADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001580886082 984622894 /nfs/dbraw/zinc/62/28/94/984622894.db2.gz WVEMVURUKYEMTB-GRYCIOLGSA-N 2 1 224.348 1.022 20 0 BDADMP CC[N@@H+](CCOc1ccccc1C)CC1C[NH2+]C1 ZINC001577725709 984675739 /nfs/dbraw/zinc/67/57/39/984675739.db2.gz LBBLUFMJVYLYFE-UHFFFAOYSA-N 2 1 248.370 1.915 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccnn3)(C1)CCC2 ZINC001275874505 984714730 /nfs/dbraw/zinc/71/47/30/984714730.db2.gz KAAAABWCPLJQAE-UONOGXRCSA-N 2 1 246.358 1.631 20 0 BDADMP CC[NH2+]C1CC[NH+](CCC2OCCCO2)CC1 ZINC001577821612 984806429 /nfs/dbraw/zinc/80/64/29/984806429.db2.gz YMGYNZVHBNTBDY-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276067256 984809188 /nfs/dbraw/zinc/80/91/88/984809188.db2.gz DIUWZMBQVUQDRB-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276067256 984809198 /nfs/dbraw/zinc/80/91/98/984809198.db2.gz DIUWZMBQVUQDRB-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276067256 984809201 /nfs/dbraw/zinc/80/92/01/984809201.db2.gz DIUWZMBQVUQDRB-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1[nH]ncc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276067256 984809203 /nfs/dbraw/zinc/80/92/03/984809203.db2.gz DIUWZMBQVUQDRB-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1[nH]ncc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276067256 984809206 /nfs/dbraw/zinc/80/92/06/984809206.db2.gz DIUWZMBQVUQDRB-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276067256 984809208 /nfs/dbraw/zinc/80/92/08/984809208.db2.gz DIUWZMBQVUQDRB-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276067256 984809209 /nfs/dbraw/zinc/80/92/09/984809209.db2.gz DIUWZMBQVUQDRB-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP CCOC(=O)[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC001577936081 984823651 /nfs/dbraw/zinc/82/36/51/984823651.db2.gz NISZOLNMCKGFTI-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001577936081 984823654 /nfs/dbraw/zinc/82/36/54/984823654.db2.gz NISZOLNMCKGFTI-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC001577945402 984829677 /nfs/dbraw/zinc/82/96/77/984829677.db2.gz IBLMALNWDNQPNF-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP CCOC1CC([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001578087956 984845260 /nfs/dbraw/zinc/84/52/60/984845260.db2.gz WTWIEHXZTHXPEZ-MRFVTOPCSA-N 2 1 240.391 1.874 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001578161715 984854911 /nfs/dbraw/zinc/85/49/11/984854911.db2.gz XEUMBEBRBXGJAE-WYUUTHIRSA-N 2 1 212.337 1.142 20 0 BDADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH2+]C)cc1 ZINC001578263696 984911207 /nfs/dbraw/zinc/91/12/07/984911207.db2.gz SURKGTKPYHLKDB-BXUZGUMPSA-N 2 1 236.359 1.480 20 0 BDADMP CC[C@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257444257 985029935 /nfs/dbraw/zinc/02/99/35/985029935.db2.gz ICDAZSWURHBDRS-MELADBBJSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578437849 985064216 /nfs/dbraw/zinc/06/42/16/985064216.db2.gz ZIFCJQBBFIVDCR-WDEREUQCSA-N 2 1 242.363 1.387 20 0 BDADMP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450760 985080934 /nfs/dbraw/zinc/08/09/34/985080934.db2.gz ZJORCHOETVLUIO-ARFNZGECSA-N 2 1 236.359 1.094 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450760 985080948 /nfs/dbraw/zinc/08/09/48/985080948.db2.gz ZJORCHOETVLUIO-ARFNZGECSA-N 2 1 236.359 1.094 20 0 BDADMP C[N@@H+](CC1CC2(CCC2)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578448094 985082642 /nfs/dbraw/zinc/08/26/42/985082642.db2.gz KIZKRUVEXALUNG-ITGUQSILSA-N 2 1 220.360 1.716 20 0 BDADMP C[N@@H+](CCCCCO)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578465561 985097663 /nfs/dbraw/zinc/09/76/63/985097663.db2.gz ANLAOFKMNWQRGL-HDJSIYSDSA-N 2 1 242.407 1.846 20 0 BDADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001578470166 985105924 /nfs/dbraw/zinc/10/59/24/985105924.db2.gz QXSWSEGYRLVAQW-OAHLLOKOSA-N 2 1 247.386 1.412 20 0 BDADMP C[N@@H+](CCOC(C)(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000690036341 985114749 /nfs/dbraw/zinc/11/47/49/985114749.db2.gz YRKNMNMOKGSSQL-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@H+](Cc1cc2n(n1)CCC2)CC1CC[NH2+]CC1 ZINC001578486095 985116570 /nfs/dbraw/zinc/11/65/70/985116570.db2.gz UOLDQXKTULKRPA-UHFFFAOYSA-N 2 1 248.374 1.261 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001578520350 985136506 /nfs/dbraw/zinc/13/65/06/985136506.db2.gz ANHBHSXNTZAVFA-WRQLNJJISA-N 2 1 249.402 1.199 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001578520350 985136516 /nfs/dbraw/zinc/13/65/16/985136516.db2.gz ANHBHSXNTZAVFA-WRQLNJJISA-N 3 1 249.402 1.199 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001578520350 985136521 /nfs/dbraw/zinc/13/65/21/985136521.db2.gz ANHBHSXNTZAVFA-WRQLNJJISA-N 3 1 249.402 1.199 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](NCC[NH2+]C(C)(C)C)[C@H]2C1 ZINC001578520762 985141925 /nfs/dbraw/zinc/14/19/25/985141925.db2.gz GHUVHRXMYAXNRS-AVGNSLFASA-N 2 1 239.407 1.304 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC001578525306 985150510 /nfs/dbraw/zinc/15/05/10/985150510.db2.gz VFDVTFOKRXFGMA-MROQNXINSA-N 2 1 237.391 1.342 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CC[C@]32CN)CC1 ZINC001578524422 985152252 /nfs/dbraw/zinc/15/22/52/985152252.db2.gz WFJWDJPPZJODGG-KGLIPLIRSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC001578524422 985152260 /nfs/dbraw/zinc/15/22/60/985152260.db2.gz WFJWDJPPZJODGG-KGLIPLIRSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC001578524422 985152269 /nfs/dbraw/zinc/15/22/69/985152269.db2.gz WFJWDJPPZJODGG-KGLIPLIRSA-N 3 1 237.391 1.141 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC001578528723 985155597 /nfs/dbraw/zinc/15/55/97/985155597.db2.gz KOKLTRBQLWACQW-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP C[NH2+]C[C@@H](C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001578620357 985230609 /nfs/dbraw/zinc/23/06/09/985230609.db2.gz FDKDTAKESXGDHI-SECBINFHSA-N 2 1 238.335 1.005 20 0 BDADMP CO[C@@H]1CC[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000687252865 985272698 /nfs/dbraw/zinc/27/26/98/985272698.db2.gz ASFAOCSKIYOHFS-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H]1CC[C@@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000687255868 985279928 /nfs/dbraw/zinc/27/99/28/985279928.db2.gz UEWPGYTXVMDBIE-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]CCC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001578687436 985296290 /nfs/dbraw/zinc/29/62/90/985296290.db2.gz YSZAPJJWIDNYKQ-RFQIPJPRSA-N 2 1 220.360 1.740 20 0 BDADMP C[NH2+]CCN(C)CC[N@@H+](C)Cc1ccccc1 ZINC001578703907 985298932 /nfs/dbraw/zinc/29/89/32/985298932.db2.gz INBBNFGROOIYCC-UHFFFAOYSA-N 2 1 235.375 1.270 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC2(COC2)CC1 ZINC001257900957 985300975 /nfs/dbraw/zinc/30/09/75/985300975.db2.gz RMUZOEPOFVZZTD-LLVKDONJSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC2(COC2)CC1 ZINC001257900958 985304512 /nfs/dbraw/zinc/30/45/12/985304512.db2.gz RMUZOEPOFVZZTD-NSHDSACASA-N 2 1 226.364 1.472 20 0 BDADMP CNc1ccccc1C[NH+]1CCC([NH3+])(CO)CC1 ZINC001578763620 985327782 /nfs/dbraw/zinc/32/77/82/985327782.db2.gz MCLCYVLNEMRKQS-UHFFFAOYSA-N 2 1 249.358 1.014 20 0 BDADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC001578798722 985369743 /nfs/dbraw/zinc/36/97/43/985369743.db2.gz ZDUZZRCRRZSYRT-ZJUUUORDSA-N 2 1 230.352 1.291 20 0 BDADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])[C@H]1C ZINC001578803135 985372352 /nfs/dbraw/zinc/37/23/52/985372352.db2.gz INZNUUKBPHEAQY-GARJFASQSA-N 2 1 242.363 1.291 20 0 BDADMP COC(=O)c1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cs1 ZINC001578854720 985427039 /nfs/dbraw/zinc/42/70/39/985427039.db2.gz LCIKHLLVIIBLHC-DTORHVGOSA-N 2 1 240.328 1.114 20 0 BDADMP COC(=O)[C@H](C)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578846179 985429008 /nfs/dbraw/zinc/42/90/08/985429008.db2.gz XYXZZUHCSXYZHD-YEJSDXFRSA-N 2 1 240.347 1.058 20 0 BDADMP COC(=O)[C@]1(C)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578847710 985432035 /nfs/dbraw/zinc/43/20/35/985432035.db2.gz VNWVVBZJSRRQSM-LOWVWBTDSA-N 2 1 240.347 1.141 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC001578908634 985507453 /nfs/dbraw/zinc/50/74/53/985507453.db2.gz BTZUPFODQLBBJK-UPJWGTAASA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC001578908634 985507467 /nfs/dbraw/zinc/50/74/67/985507467.db2.gz BTZUPFODQLBBJK-UPJWGTAASA-N 2 1 224.348 1.225 20 0 BDADMP COC1(CC[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC001578927083 985521373 /nfs/dbraw/zinc/52/13/73/985521373.db2.gz SBLKIOMWPMSTDE-GDNZZTSVSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000688053434 985542080 /nfs/dbraw/zinc/54/20/80/985542080.db2.gz NUJGDQGUDAVCPG-VOAKCMCISA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cn[nH]c2)CC[N@@H+]1C ZINC001459617383 985563834 /nfs/dbraw/zinc/56/38/34/985563834.db2.gz XBNNZRHVKKYSLG-YPMHNXCESA-N 2 1 236.363 1.367 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cn[nH]c2)CC[N@H+]1C ZINC001459617383 985563857 /nfs/dbraw/zinc/56/38/57/985563857.db2.gz XBNNZRHVKKYSLG-YPMHNXCESA-N 2 1 236.363 1.367 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2cn[nH]c2)CC[NH+]1C ZINC001459617383 985563889 /nfs/dbraw/zinc/56/38/89/985563889.db2.gz XBNNZRHVKKYSLG-YPMHNXCESA-N 2 1 236.363 1.367 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cn[nH]c2)CC[NH+]1C ZINC001459617383 985563904 /nfs/dbraw/zinc/56/39/04/985563904.db2.gz XBNNZRHVKKYSLG-YPMHNXCESA-N 2 1 236.363 1.367 20 0 BDADMP COCCC(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001578994411 985618648 /nfs/dbraw/zinc/61/86/48/985618648.db2.gz HWRIIOFXPCOQPW-MRVPVSSYSA-N 2 1 224.295 1.374 20 0 BDADMP COCC[C@@H]([NH3+])C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC001578999530 985634098 /nfs/dbraw/zinc/63/40/98/985634098.db2.gz CTRMATBYCSJGSU-NEPJUHHUSA-N 2 1 246.395 1.079 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC001578999530 985634110 /nfs/dbraw/zinc/63/41/10/985634110.db2.gz CTRMATBYCSJGSU-NEPJUHHUSA-N 2 1 246.395 1.079 20 0 BDADMP COCC[C@H]([NH3+])C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC001578999532 985637800 /nfs/dbraw/zinc/63/78/00/985637800.db2.gz CTRMATBYCSJGSU-RYUDHWBXSA-N 2 1 246.395 1.079 20 0 BDADMP COCC[C@H]([NH3+])C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC001578999532 985637815 /nfs/dbraw/zinc/63/78/15/985637815.db2.gz CTRMATBYCSJGSU-RYUDHWBXSA-N 2 1 246.395 1.079 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+]Cc1cccc(OC)c1 ZINC001579003588 985659867 /nfs/dbraw/zinc/65/98/67/985659867.db2.gz JHPRVYQQXADXMN-LBPRGKRZSA-N 2 1 238.331 1.149 20 0 BDADMP C[N@@H+](CCc1nccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000688722841 985715205 /nfs/dbraw/zinc/71/52/05/985715205.db2.gz ZQVWUMXOZCILTO-AOOOYVTPSA-N 2 1 225.361 1.355 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000689031137 985788756 /nfs/dbraw/zinc/78/87/56/985788756.db2.gz XUYZEQSPWXVPQF-NXEZZACHSA-N 2 1 234.290 1.081 20 0 BDADMP COc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1F ZINC001579277637 985829319 /nfs/dbraw/zinc/82/93/19/985829319.db2.gz ITMKGPQPLUEMMC-AOOOYVTPSA-N 2 1 224.279 1.414 20 0 BDADMP COC(=O)CC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001258356174 985836910 /nfs/dbraw/zinc/83/69/10/985836910.db2.gz RNCYLVMUQOVECH-UNXYVOJBSA-N 2 1 242.363 1.530 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001579395250 985873097 /nfs/dbraw/zinc/87/30/97/985873097.db2.gz BZGWSYSBHPSMMU-JTQLQIEISA-N 2 1 248.326 1.384 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@]1(C)CCCO ZINC001579454397 985940197 /nfs/dbraw/zinc/94/01/97/985940197.db2.gz AIRJZPUIXIJIJS-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC001579454714 985946373 /nfs/dbraw/zinc/94/63/73/985946373.db2.gz XMGIJTUYPUXTQP-ZOBORPQBSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@@H]1CCSC1)C2 ZINC001579473539 985981992 /nfs/dbraw/zinc/98/19/92/985981992.db2.gz DGSIIWZPHFQSJC-TUAOUCFPSA-N 2 1 226.389 1.281 20 0 BDADMP C[C@@]12CSC[C@@H]1C[N@@H+](CC1(C[NH3+])CCC1)C2 ZINC001579475823 985988733 /nfs/dbraw/zinc/98/87/33/985988733.db2.gz VMUMLSCCWFFMDT-NWDGAFQWSA-N 2 1 240.416 1.800 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC001461832190 986188441 /nfs/dbraw/zinc/18/84/41/986188441.db2.gz VITPJPJLMMFDCT-RWMBFGLXSA-N 2 1 248.374 1.456 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1C ZINC001461832190 986188458 /nfs/dbraw/zinc/18/84/58/986188458.db2.gz VITPJPJLMMFDCT-RWMBFGLXSA-N 2 1 248.374 1.456 20 0 BDADMP Cc1ccnc(N)c1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579811907 986230336 /nfs/dbraw/zinc/23/03/36/986230336.db2.gz UJTNDTXLWPZSHZ-NEPJUHHUSA-N 2 1 246.358 1.014 20 0 BDADMP Cc1ccnc(N)c1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579811907 986230356 /nfs/dbraw/zinc/23/03/56/986230356.db2.gz UJTNDTXLWPZSHZ-NEPJUHHUSA-N 2 1 246.358 1.014 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@]2(C)CCCCO2)C1 ZINC001462084305 986282448 /nfs/dbraw/zinc/28/24/48/986282448.db2.gz ZYIIXTPUGCUMDK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1ncoc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579888361 986304703 /nfs/dbraw/zinc/30/47/03/986304703.db2.gz SLAXEDPEIDNVOE-MNOVXSKESA-N 2 1 221.304 1.024 20 0 BDADMP Cc1ncoc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579888361 986304714 /nfs/dbraw/zinc/30/47/14/986304714.db2.gz SLAXEDPEIDNVOE-MNOVXSKESA-N 2 1 221.304 1.024 20 0 BDADMP Cc1ncsc1CC[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001579888356 986305642 /nfs/dbraw/zinc/30/56/42/986305642.db2.gz SCSYXJXQVFYYPR-IAZYJMLFSA-N 2 1 237.372 1.144 20 0 BDADMP Cc1ncsc1CC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001579888356 986305651 /nfs/dbraw/zinc/30/56/51/986305651.db2.gz SCSYXJXQVFYYPR-IAZYJMLFSA-N 2 1 237.372 1.144 20 0 BDADMP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000689189259 986384270 /nfs/dbraw/zinc/38/42/70/986384270.db2.gz HKYPTBLYTXDERZ-VOAKCMCISA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000689189259 986384278 /nfs/dbraw/zinc/38/42/78/986384278.db2.gz HKYPTBLYTXDERZ-VOAKCMCISA-N 2 1 226.364 1.341 20 0 BDADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001579993451 986395483 /nfs/dbraw/zinc/39/54/83/986395483.db2.gz YSSIOPJIXHVBOV-KNVOCYPGSA-N 2 1 248.252 1.018 20 0 BDADMP CCO[C@@H](C[NH2+]CCSC(C)C)C[NH+](C)C ZINC001462573107 986430740 /nfs/dbraw/zinc/43/07/40/986430740.db2.gz KXLITFGAYAFAMF-LBPRGKRZSA-N 2 1 248.436 1.684 20 0 BDADMP Fc1cc(F)cc(C[NH2+]CC2C[NH2+]C2)c1 ZINC001580029327 986434550 /nfs/dbraw/zinc/43/45/50/986434550.db2.gz MZOAOVQGHGTCMV-UHFFFAOYSA-N 2 1 212.243 1.274 20 0 BDADMP CO[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001462656275 986486929 /nfs/dbraw/zinc/48/69/29/986486929.db2.gz WJZPPWVSAYOUQX-RQJABVFESA-N 2 1 240.391 1.683 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCCOC1 ZINC001254367230 986588097 /nfs/dbraw/zinc/58/80/97/986588097.db2.gz FOPQZERXGPKMJV-SNVBAGLBSA-N 2 1 209.293 1.044 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000689442454 986609994 /nfs/dbraw/zinc/60/99/94/986609994.db2.gz AGXWRASHSTWYNQ-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000379340124 986636455 /nfs/dbraw/zinc/63/64/55/986636455.db2.gz XLPMPTNYMUJPJK-ZJUUUORDSA-N 2 1 216.394 1.940 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC000379340124 986636461 /nfs/dbraw/zinc/63/64/61/986636461.db2.gz XLPMPTNYMUJPJK-ZJUUUORDSA-N 2 1 216.394 1.940 20 0 BDADMP Cc1ncncc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206573517 986638282 /nfs/dbraw/zinc/63/82/82/986638282.db2.gz MLAYZUYBEDUGQT-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1ncncc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206573517 986638289 /nfs/dbraw/zinc/63/82/89/986638289.db2.gz MLAYZUYBEDUGQT-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(COC3)CC2)CC1 ZINC001254516247 986649120 /nfs/dbraw/zinc/64/91/20/986649120.db2.gz LEXLYCAIBSHYSH-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(COC3)CC2)CC1 ZINC001254516247 986649127 /nfs/dbraw/zinc/64/91/27/986649127.db2.gz LEXLYCAIBSHYSH-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCCO1 ZINC001254516546 986649416 /nfs/dbraw/zinc/64/94/16/986649416.db2.gz NVKAWFHICJKMJO-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCCO1 ZINC001254516546 986649420 /nfs/dbraw/zinc/64/94/20/986649420.db2.gz NVKAWFHICJKMJO-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCCO1 ZINC001254516546 986649432 /nfs/dbraw/zinc/64/94/32/986649432.db2.gz NVKAWFHICJKMJO-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C[C@@H]1O ZINC001254517064 986654652 /nfs/dbraw/zinc/65/46/52/986654652.db2.gz RTDCHAXKPOOWOS-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@@H]1O ZINC001254517064 986654676 /nfs/dbraw/zinc/65/46/76/986654676.db2.gz RTDCHAXKPOOWOS-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@@H]1O ZINC001254517064 986654689 /nfs/dbraw/zinc/65/46/89/986654689.db2.gz RTDCHAXKPOOWOS-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@](C)(O)C2)CC1 ZINC001254517336 986656143 /nfs/dbraw/zinc/65/61/43/986656143.db2.gz URAQEEIRTRYXCQ-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001254517336 986656145 /nfs/dbraw/zinc/65/61/45/986656145.db2.gz URAQEEIRTRYXCQ-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001254517336 986656150 /nfs/dbraw/zinc/65/61/50/986656150.db2.gz URAQEEIRTRYXCQ-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@](C)(O)C2)CC1 ZINC001254517335 986658708 /nfs/dbraw/zinc/65/87/08/986658708.db2.gz URAQEEIRTRYXCQ-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001254517335 986658716 /nfs/dbraw/zinc/65/87/16/986658716.db2.gz URAQEEIRTRYXCQ-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001254517335 986658719 /nfs/dbraw/zinc/65/87/19/986658719.db2.gz URAQEEIRTRYXCQ-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC1=CCCC1 ZINC001580253037 986701219 /nfs/dbraw/zinc/70/12/19/986701219.db2.gz GCPOKINQCHOFLV-OLZOCXBDSA-N 2 1 206.333 1.910 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC1=CCCC1 ZINC001580253037 986701228 /nfs/dbraw/zinc/70/12/28/986701228.db2.gz GCPOKINQCHOFLV-OLZOCXBDSA-N 2 1 206.333 1.910 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cn(C3CC3)cn2)C1 ZINC001580288133 986734003 /nfs/dbraw/zinc/73/40/03/986734003.db2.gz BXVSUSGOPFMBCC-LLVKDONJSA-N 2 1 234.347 1.389 20 0 BDADMP C[C@@H](C[NH3+])CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000381594274 986737351 /nfs/dbraw/zinc/73/73/51/986737351.db2.gz DZVLTJTXYQIRTR-WODVXLOZSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000381594274 986737356 /nfs/dbraw/zinc/73/73/56/986737356.db2.gz DZVLTJTXYQIRTR-WODVXLOZSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000381594274 986737368 /nfs/dbraw/zinc/73/73/68/986737368.db2.gz DZVLTJTXYQIRTR-WODVXLOZSA-N 3 1 225.380 1.186 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC001580422650 986839310 /nfs/dbraw/zinc/83/93/10/986839310.db2.gz BIYGCZSSJRWJDV-TXEJJXNPSA-N 2 1 218.300 1.201 20 0 BDADMP Cc1cc(C[N@@H+](C)C2CCN(C)CC2)ccn1 ZINC001137407336 986883693 /nfs/dbraw/zinc/88/36/93/986883693.db2.gz KRZIBIGPZCWPOB-UHFFFAOYSA-N 2 1 233.359 1.916 20 0 BDADMP Cc1cc(C[N@H+](C)C2CCN(C)CC2)ccn1 ZINC001137407336 986883701 /nfs/dbraw/zinc/88/37/01/986883701.db2.gz KRZIBIGPZCWPOB-UHFFFAOYSA-N 2 1 233.359 1.916 20 0 BDADMP CCCC[C@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001255314752 986910941 /nfs/dbraw/zinc/91/09/41/986910941.db2.gz RPXUEJGJACGYLJ-WDEREUQCSA-N 2 1 225.336 1.496 20 0 BDADMP C[N@H+]1CC[C@@H](n2ccc3cccc(C[NH3+])c32)C1 ZINC001255419373 986942326 /nfs/dbraw/zinc/94/23/26/986942326.db2.gz GYEDZPJOOPSAON-CYBMUJFWSA-N 2 1 229.327 1.977 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@H]2CC[NH+](C)C2)C1 ZINC001255441040 986960792 /nfs/dbraw/zinc/96/07/92/986960792.db2.gz KFUROTQXKMMROZ-STQMWFEESA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2CC[N@H+](C)C2)C1 ZINC001255441040 986960806 /nfs/dbraw/zinc/96/08/06/986960806.db2.gz KFUROTQXKMMROZ-STQMWFEESA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2CC[N@@H+](C)C2)C1 ZINC001255441040 986960821 /nfs/dbraw/zinc/96/08/21/986960821.db2.gz KFUROTQXKMMROZ-STQMWFEESA-N 2 1 225.380 1.105 20 0 BDADMP CN1CCC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001255486655 986986972 /nfs/dbraw/zinc/98/69/72/986986972.db2.gz MYCCRIQIIJXCHI-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@@](C)(O)c1ccccc1 ZINC001246014357 987293977 /nfs/dbraw/zinc/29/39/77/987293977.db2.gz BERGCUCHVHMDBE-AEGPPILISA-N 2 1 248.370 1.706 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@@](C)(O)c1ccccc1 ZINC001246014357 987293987 /nfs/dbraw/zinc/29/39/87/987293987.db2.gz BERGCUCHVHMDBE-AEGPPILISA-N 2 1 248.370 1.706 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)O)CC[C@H]1C[NH3+] ZINC001246024155 987301990 /nfs/dbraw/zinc/30/19/90/987301990.db2.gz QRGMLDSVUXOEHB-MNOVXSKESA-N 2 1 214.353 1.064 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020754 987308410 /nfs/dbraw/zinc/30/84/10/987308410.db2.gz LSMZBBRCHVRZRU-RYUDHWBXSA-N 2 1 232.343 1.300 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246020203 987309277 /nfs/dbraw/zinc/30/92/77/987309277.db2.gz IJJYACPZOZEWAZ-QWHCGFSZSA-N 2 1 228.380 1.598 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246021626 987312526 /nfs/dbraw/zinc/31/25/26/987312526.db2.gz KYMGBVOZWBEJCS-XQQFMLRXSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246023981 987319206 /nfs/dbraw/zinc/31/92/06/987319206.db2.gz TWGWLVHZEJEDIN-CHWSQXEVSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@](O)(C[NH+]1CC(C)(C[NH3+])C1)c1ccccc1 ZINC001246031053 987332565 /nfs/dbraw/zinc/33/25/65/987332565.db2.gz HGHHHOCLXRZXHL-AWEZNQCLSA-N 2 1 234.343 1.175 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697052758 987348544 /nfs/dbraw/zinc/34/85/44/987348544.db2.gz QKLAJFSSKXNBER-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697052758 987348552 /nfs/dbraw/zinc/34/85/52/987348552.db2.gz QKLAJFSSKXNBER-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@H]1CCCC[NH2+]C1 ZINC000697088623 987350486 /nfs/dbraw/zinc/35/04/86/987350486.db2.gz USMWLUNYJPKJLX-CQSZACIVSA-N 2 1 242.407 1.981 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccn1 ZINC000697863346 987364720 /nfs/dbraw/zinc/36/47/20/987364720.db2.gz KLVNXJGFDKMQHW-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)CC[NH2+]1 ZINC001246079750 987370607 /nfs/dbraw/zinc/37/06/07/987370607.db2.gz FUJKMHLNYRHKSY-KOLCDFICSA-N 2 1 239.750 1.965 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCOCC1 ZINC000699314155 987374566 /nfs/dbraw/zinc/37/45/66/987374566.db2.gz HRGPUSYQYCQZME-YHWZYXNKSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000699640819 987377464 /nfs/dbraw/zinc/37/74/64/987377464.db2.gz SCBSENOHXUMUPP-STQMWFEESA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@](C)(O)C(F)F ZINC000699623576 987377612 /nfs/dbraw/zinc/37/76/12/987377612.db2.gz LAEODDDIDMOZGU-LLVKDONJSA-N 2 1 247.289 1.187 20 0 BDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@@H](C)NC2)n1 ZINC001246083709 987382218 /nfs/dbraw/zinc/38/22/18/987382218.db2.gz HZZWSRAZWANRTJ-ZWNOBZJWSA-N 2 1 236.363 1.230 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246089810 987395234 /nfs/dbraw/zinc/39/52/34/987395234.db2.gz DWWPRRODVKYHEJ-FRRDWIJNSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246091890 987399632 /nfs/dbraw/zinc/39/96/32/987399632.db2.gz HSURGKWRUQLCOY-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)C[NH2+]1 ZINC001246093672 987401590 /nfs/dbraw/zinc/40/15/90/987401590.db2.gz WDTWUWLQHNDFFJ-NDBYEHHHSA-N 2 1 226.364 1.410 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246092980 987401792 /nfs/dbraw/zinc/40/17/92/987401792.db2.gz UGXMWEUSKLUWGT-HZSPNIEDSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246092986 987403447 /nfs/dbraw/zinc/40/34/47/987403447.db2.gz UGXMWEUSKLUWGT-RDBSUJKOSA-N 3 1 239.407 1.496 20 0 BDADMP C[NH2+]CC[C@H](C)[NH2+]C[C@@]1(C)CCCC[NH2+]C1 ZINC001246104113 987426903 /nfs/dbraw/zinc/42/69/03/987426903.db2.gz UJPWITDYDHEMLT-STQMWFEESA-N 3 1 227.396 1.354 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106311 987436377 /nfs/dbraw/zinc/43/63/77/987436377.db2.gz PLGHDAOGTGTEAQ-IPYPFGDCSA-N 2 1 247.386 1.990 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246108859 987442281 /nfs/dbraw/zinc/44/22/81/987442281.db2.gz IRIRGFBVGAHBQE-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246108859 987442285 /nfs/dbraw/zinc/44/22/85/987442285.db2.gz IRIRGFBVGAHBQE-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246112082 987444457 /nfs/dbraw/zinc/44/44/57/987444457.db2.gz KNVDLWCELVQCFN-VXGBXAGGSA-N 3 1 227.396 1.352 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC001246113359 987451442 /nfs/dbraw/zinc/45/14/42/987451442.db2.gz SWFWNAUWNAXDKC-DGAVXFQQSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246117100 987459891 /nfs/dbraw/zinc/45/98/91/987459891.db2.gz IGWQXYIZXUNWRE-YIPFDTCYSA-N 3 1 237.391 1.247 20 0 BDADMP CC1(NC2CCC3(CCC[NH2+]C3)CC2)C[NH2+]C1 ZINC001246126814 987471366 /nfs/dbraw/zinc/47/13/66/987471366.db2.gz JXTVFOHIGGYFER-UHFFFAOYSA-N 2 1 237.391 1.250 20 0 BDADMP CC1(C)C[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CCO1 ZINC001246132334 987480414 /nfs/dbraw/zinc/48/04/14/987480414.db2.gz LURAXPNPFQWFJZ-WDEREUQCSA-N 2 1 224.348 1.286 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130842 987483644 /nfs/dbraw/zinc/48/36/44/987483644.db2.gz WMGVQGZUGYMUFB-NEPJUHHUSA-N 2 1 214.353 1.532 20 0 BDADMP CC(C)COCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246134706 987489974 /nfs/dbraw/zinc/48/99/74/987489974.db2.gz RVPGHKIFZWUTEX-OLZOCXBDSA-N 2 1 240.391 1.779 20 0 BDADMP CC[NH+](CC)CCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246160982 987519915 /nfs/dbraw/zinc/51/99/15/987519915.db2.gz IDBBJMDRNUYIMU-CYBMUJFWSA-N 3 1 227.396 1.450 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246169651 987531285 /nfs/dbraw/zinc/53/12/85/987531285.db2.gz IUCSYBTVUNOHHK-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP c1cc(CCC[NH2+][C@H]2CCC[NH2+]C2)ccn1 ZINC001246174216 987541669 /nfs/dbraw/zinc/54/16/69/987541669.db2.gz DCKCQJMAAWDBCA-ZDUSSCGKSA-N 2 1 219.332 1.356 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246183557 987553014 /nfs/dbraw/zinc/55/30/14/987553014.db2.gz FUTLCTXNSRXLOW-KGLIPLIRSA-N 2 1 241.423 1.839 20 0 BDADMP CCCC[N@@H+](C)CCCNC1CC[NH2+]CC1 ZINC001246182676 987554370 /nfs/dbraw/zinc/55/43/70/987554370.db2.gz BMOXTGJPTKQURB-UHFFFAOYSA-N 2 1 227.396 1.450 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(N)=O)CC[NH2+]1 ZINC001246181570 987554736 /nfs/dbraw/zinc/55/47/36/987554736.db2.gz ZTTSXDWJBHSYEU-CMPLNLGQSA-N 2 1 247.342 1.016 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246183558 987556647 /nfs/dbraw/zinc/55/66/47/987556647.db2.gz FUTLCTXNSRXLOW-UONOGXRCSA-N 2 1 241.423 1.839 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@@H]1CCC[NH2+]C1 ZINC001246183615 987563061 /nfs/dbraw/zinc/56/30/61/987563061.db2.gz GMUFRFCBUXGFDZ-CYBMUJFWSA-N 2 1 227.396 1.450 20 0 BDADMP C[N@H+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246188561 987574804 /nfs/dbraw/zinc/57/48/04/987574804.db2.gz IQNQHLDRIVKCCG-HABKJSAYSA-N 2 1 237.391 1.343 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246188561 987574811 /nfs/dbraw/zinc/57/48/11/987574811.db2.gz IQNQHLDRIVKCCG-HABKJSAYSA-N 3 1 237.391 1.343 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246188561 987574814 /nfs/dbraw/zinc/57/48/14/987574814.db2.gz IQNQHLDRIVKCCG-HABKJSAYSA-N 3 1 237.391 1.343 20 0 BDADMP C([NH2+][C@H]1CC2CCN(CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246197566 987592313 /nfs/dbraw/zinc/59/23/13/987592313.db2.gz BIQSTNOBUJQVDU-KBPBESRZSA-N 2 1 237.391 1.060 20 0 BDADMP [NH3+][C@H]1CC[C@@H](CC[NH2+][C@H]2CCCCNC2)CC1 ZINC001246202402 987598328 /nfs/dbraw/zinc/59/83/28/987598328.db2.gz OMJDFZWCEKZROK-MJBXVCDLSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246201435 987600660 /nfs/dbraw/zinc/60/06/60/987600660.db2.gz HDLNXFHUPQUUAD-FQUUOJAGSA-N 3 1 239.407 1.624 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246205196 987602917 /nfs/dbraw/zinc/60/29/17/987602917.db2.gz MCCCPNQIFGCSFY-NJMOYASZSA-N 3 1 223.364 1.129 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116499175 987603089 /nfs/dbraw/zinc/60/30/89/987603089.db2.gz YSMBKXQXURCKLZ-RDBSUJKOSA-N 2 1 242.407 2.000 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC001116505162 987607760 /nfs/dbraw/zinc/60/77/60/987607760.db2.gz CMXBZZBYAYCUNF-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246216878 987612849 /nfs/dbraw/zinc/61/28/49/987612849.db2.gz STHIZSVNDFQJSM-MELADBBJSA-N 3 1 239.407 1.352 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246216877 987615040 /nfs/dbraw/zinc/61/50/40/987615040.db2.gz STHIZSVNDFQJSM-BFHYXJOUSA-N 3 1 239.407 1.352 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246223213 987619957 /nfs/dbraw/zinc/61/99/57/987619957.db2.gz QLDQYLFDGAMJJE-BXKDBHETSA-N 2 1 220.320 1.015 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246220884 987620429 /nfs/dbraw/zinc/62/04/29/987620429.db2.gz GUPQGTSLGDGGEW-XGFWRYKXSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C[NH2+]1 ZINC001246223745 987622977 /nfs/dbraw/zinc/62/29/77/987622977.db2.gz UVMGKUWEXODURW-NZEXEKPDSA-N 2 1 208.349 1.905 20 0 BDADMP c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC001246228842 987626487 /nfs/dbraw/zinc/62/64/87/987626487.db2.gz GTECSYCYIYQUFC-AWEZNQCLSA-N 2 1 231.343 1.801 20 0 BDADMP c1cncc(CCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246241467 987641457 /nfs/dbraw/zinc/64/14/57/987641457.db2.gz XHQVRMPZXHOBBZ-ZDUSSCGKSA-N 2 1 219.332 1.356 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC001246240598 987642148 /nfs/dbraw/zinc/64/21/48/987642148.db2.gz QYCPTMJKWLCLSV-GFCCVEGCSA-N 2 1 219.332 1.874 20 0 BDADMP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246247281 987647914 /nfs/dbraw/zinc/64/79/14/987647914.db2.gz SUPGLLPWOLMQMG-STQMWFEESA-N 3 1 239.407 1.639 20 0 BDADMP CC1(C)C[C@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246247279 987649912 /nfs/dbraw/zinc/64/99/12/987649912.db2.gz SUPGLLPWOLMQMG-QWHCGFSZSA-N 3 1 239.407 1.639 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC001246258294 987655982 /nfs/dbraw/zinc/65/59/82/987655982.db2.gz WCRIZKNHRBMXJJ-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246270270 987656517 /nfs/dbraw/zinc/65/65/17/987656517.db2.gz FLOBLSRXJDPKQM-SDDRHHMPSA-N 2 1 226.364 1.864 20 0 BDADMP O[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC001246262247 987658866 /nfs/dbraw/zinc/65/88/66/987658866.db2.gz BRHWVXLRJGLXHA-HUUCEWRRSA-N 2 1 246.354 1.376 20 0 BDADMP CCCCC(=O)[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246271847 987665305 /nfs/dbraw/zinc/66/53/05/987665305.db2.gz ITDHEFXQEWWADE-JTQLQIEISA-N 2 1 212.337 1.476 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246274957 987668572 /nfs/dbraw/zinc/66/85/72/987668572.db2.gz XMJGHYMWUWPIST-RDBSUJKOSA-N 3 1 239.407 1.495 20 0 BDADMP CC[C@@H]1CC([NH2+][C@H]2CC[C@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246275612 987670738 /nfs/dbraw/zinc/67/07/38/987670738.db2.gz AWTSERPHDZGDCV-LOWDOPEQSA-N 3 1 239.407 1.765 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C[NH2+]1 ZINC001246283661 987678782 /nfs/dbraw/zinc/67/87/82/987678782.db2.gz XDRHVCLLRXTCHW-XBFCOCLRSA-N 2 1 240.391 1.658 20 0 BDADMP CCc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001474303104 987682022 /nfs/dbraw/zinc/68/20/22/987682022.db2.gz QHAPUVSGLVAFPX-MPKXVKKWSA-N 2 1 249.358 1.667 20 0 BDADMP CCc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001474303104 987682031 /nfs/dbraw/zinc/68/20/31/987682031.db2.gz QHAPUVSGLVAFPX-MPKXVKKWSA-N 2 1 249.358 1.667 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001474302597 987682448 /nfs/dbraw/zinc/68/24/48/987682448.db2.gz ZTWOQJDDBYHELJ-MRVWCRGKSA-N 2 1 248.374 1.456 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001474302597 987682454 /nfs/dbraw/zinc/68/24/54/987682454.db2.gz ZTWOQJDDBYHELJ-MRVWCRGKSA-N 2 1 248.374 1.456 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccoc3)[C@H]2C1 ZINC001474303259 987682592 /nfs/dbraw/zinc/68/25/92/987682592.db2.gz VJHCZDWDPVOSTB-RWMBFGLXSA-N 2 1 220.316 1.709 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccoc3)[C@H]2C1 ZINC001474303259 987682598 /nfs/dbraw/zinc/68/25/98/987682598.db2.gz VJHCZDWDPVOSTB-RWMBFGLXSA-N 2 1 220.316 1.709 20 0 BDADMP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCCCCCC1 ZINC001246298735 987693492 /nfs/dbraw/zinc/69/34/92/987693492.db2.gz IGINNHOEAZMBGL-YPMHNXCESA-N 2 1 226.364 1.269 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246299495 987693849 /nfs/dbraw/zinc/69/38/49/987693849.db2.gz LEIIMJBVNZENCF-AVGNSLFASA-N 2 1 226.364 1.291 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCCCCC[NH3+])C[NH2+]1 ZINC001246303783 987699783 /nfs/dbraw/zinc/69/97/83/987699783.db2.gz AOQGWRNFWLYSFI-STQMWFEESA-N 3 1 227.396 1.626 20 0 BDADMP CC[C@@H]1CC([NH2+]CC[C@H](C)[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246306657 987704000 /nfs/dbraw/zinc/70/40/00/987704000.db2.gz RHFBROUPAIWLTA-QJPTWQEYSA-N 3 1 227.396 1.623 20 0 BDADMP [NH3+]CCCCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246308617 987708684 /nfs/dbraw/zinc/70/86/84/987708684.db2.gz RMLKIACNOKOPJH-LBPRGKRZSA-N 3 1 213.369 1.237 20 0 BDADMP CCOC(=O)C(C)(C)C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246316871 987720235 /nfs/dbraw/zinc/72/02/35/987720235.db2.gz OKHZQKGUODUFFZ-MNOVXSKESA-N 2 1 242.363 1.306 20 0 BDADMP C[C@H]1C[C@@H](NCc2ccccc2C[NH3+])CC[NH2+]1 ZINC001246322251 987728629 /nfs/dbraw/zinc/72/86/29/987728629.db2.gz GQJYTXSGCDDBPS-FZMZJTMJSA-N 2 1 233.359 1.375 20 0 BDADMP CC[C@@H](N)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246320605 987728836 /nfs/dbraw/zinc/72/88/36/987728836.db2.gz YZLCIGJFKLXKAN-NEPJUHHUSA-N 2 1 225.380 1.236 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH3+])CC[NH2+]1 ZINC001246327383 987730326 /nfs/dbraw/zinc/73/03/26/987730326.db2.gz NCVGNSLBSUWUBG-YNEHKIRRSA-N 3 1 227.396 1.482 20 0 BDADMP OCCC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246332667 987737222 /nfs/dbraw/zinc/73/72/22/987737222.db2.gz GKCJNLWXTBYTQK-WXRRBKDZSA-N 2 1 226.364 1.269 20 0 BDADMP C[C@H]1CC[C@H](NCCCc2cccc(N)c2)C[NH2+]1 ZINC001246352582 987759761 /nfs/dbraw/zinc/75/97/61/987759761.db2.gz SFQAIVUYMMKUGZ-WFASDCNBSA-N 2 1 247.386 1.932 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCc2cccc(N)c2)C[NH2+]1 ZINC001246352582 987759770 /nfs/dbraw/zinc/75/97/70/987759770.db2.gz SFQAIVUYMMKUGZ-WFASDCNBSA-N 2 1 247.386 1.932 20 0 BDADMP C[C@@H](Cc1cccc(O)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246355680 987762846 /nfs/dbraw/zinc/76/28/46/987762846.db2.gz ZJVYEJVPRSTPCN-AAEUAGOBSA-N 2 1 234.343 1.665 20 0 BDADMP CC[C@H]1CC([N@H+]2C=C(N)C=CC2)C[C@H](CC)[NH2+]1 ZINC001246356006 987763489 /nfs/dbraw/zinc/76/34/89/987763489.db2.gz RIKSHQQUOLEZRX-STQMWFEESA-N 2 1 235.375 1.968 20 0 BDADMP CC[C@H]1CC([N@@H+]2C=C(N)C=CC2)C[C@H](CC)[NH2+]1 ZINC001246356006 987763497 /nfs/dbraw/zinc/76/34/97/987763497.db2.gz RIKSHQQUOLEZRX-STQMWFEESA-N 2 1 235.375 1.968 20 0 BDADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246355681 987765140 /nfs/dbraw/zinc/76/51/40/987765140.db2.gz ZJVYEJVPRSTPCN-DGCLKSJQSA-N 2 1 234.343 1.665 20 0 BDADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246363996 987770181 /nfs/dbraw/zinc/77/01/81/987770181.db2.gz RLEUFCCYBHLACJ-RYUDHWBXSA-N 3 1 241.423 1.870 20 0 BDADMP C[NH+]1CCC(CCC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246367104 987772557 /nfs/dbraw/zinc/77/25/57/987772557.db2.gz YQOCHYATDMCBBA-CQSZACIVSA-N 3 1 239.407 1.450 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246372378 987776385 /nfs/dbraw/zinc/77/63/85/987776385.db2.gz LKONMYBYIJAXBN-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246372334 987777173 /nfs/dbraw/zinc/77/71/73/987777173.db2.gz LEALCWMYOKZECJ-IJLUTSLNSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[C@H](NCc2[nH+]cn3ccccc23)CC[NH2+]1 ZINC001246397683 987783950 /nfs/dbraw/zinc/78/39/50/987783950.db2.gz SWHNTJIXWXHKOS-VXGBXAGGSA-N 2 1 244.342 1.564 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CCF)c2)CC[NH2+]1 ZINC001246429710 987793565 /nfs/dbraw/zinc/79/35/65/987793565.db2.gz VEMIVAHZTJWFNT-PWSUYJOCSA-N 2 1 240.326 1.083 20 0 BDADMP CCC1(CN[C@H]2C[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246423896 987795030 /nfs/dbraw/zinc/79/50/30/987795030.db2.gz RRVQYRKGWRXCMM-NWDGAFQWSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)C[NH2+]1 ZINC001246450361 987804759 /nfs/dbraw/zinc/80/47/59/987804759.db2.gz WOGOZYKVUOIXMU-IUODEOHRSA-N 2 1 248.370 1.452 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNc3ccccc32)C[NH2+]1 ZINC001246472597 987828420 /nfs/dbraw/zinc/82/84/20/987828420.db2.gz HCFALZWURIUIQG-UPJWGTAASA-N 2 1 245.370 1.926 20 0 BDADMP COc1cnccc1CC[NH2+][C@H]1CC[C@@H](C)NC1 ZINC001246477922 987835514 /nfs/dbraw/zinc/83/55/14/987835514.db2.gz RHVHLAAFUZRJSL-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP COc1cnccc1CC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246477922 987835519 /nfs/dbraw/zinc/83/55/19/987835519.db2.gz RHVHLAAFUZRJSL-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246489426 987843562 /nfs/dbraw/zinc/84/35/62/987843562.db2.gz NKTGULGGUVKQPQ-STQMWFEESA-N 2 1 227.396 1.352 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246490520 987844008 /nfs/dbraw/zinc/84/40/08/987844008.db2.gz DCHPTFMRKFPNJC-IWMBGFJWSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[C@@H](NC2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246490520 987844016 /nfs/dbraw/zinc/84/40/16/987844016.db2.gz DCHPTFMRKFPNJC-IWMBGFJWSA-N 2 1 237.391 1.249 20 0 BDADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246494058 987846925 /nfs/dbraw/zinc/84/69/25/987846925.db2.gz BWMWZHXJWMBMLO-ZDUSSCGKSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nccn3c2)CC[NH2+]1 ZINC001246497832 987854088 /nfs/dbraw/zinc/85/40/88/987854088.db2.gz YPCGPIVEKGLPEZ-YPMHNXCESA-N 2 1 244.342 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507236 987861992 /nfs/dbraw/zinc/86/19/92/987861992.db2.gz LZAHDRAZHQJYMZ-ZIAGYGMSSA-N 2 1 233.359 1.370 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CCCO1 ZINC001246517673 987866003 /nfs/dbraw/zinc/86/60/03/987866003.db2.gz AUPLNLCSAGTSBA-YFKTTZPYSA-N 2 1 212.337 1.284 20 0 BDADMP CCC[N@@H+]([C@@H](C)CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532411 987891911 /nfs/dbraw/zinc/89/19/11/987891911.db2.gz ZTQREOMDHCNION-STQMWFEESA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246536814 987893347 /nfs/dbraw/zinc/89/33/47/987893347.db2.gz FFBSADWSKYDQRP-OBJOEFQTSA-N 2 1 233.359 1.824 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246536814 987893352 /nfs/dbraw/zinc/89/33/52/987893352.db2.gz FFBSADWSKYDQRP-OBJOEFQTSA-N 2 1 233.359 1.824 20 0 BDADMP C[C@H]1C[N@@H+](C2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246539224 987900766 /nfs/dbraw/zinc/90/07/66/987900766.db2.gz FQNSNKLPQWAZKQ-FIQHERPVSA-N 3 1 225.380 1.042 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246539224 987900773 /nfs/dbraw/zinc/90/07/73/987900773.db2.gz FQNSNKLPQWAZKQ-FIQHERPVSA-N 3 1 225.380 1.042 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C[NH3+] ZINC001246542425 987910338 /nfs/dbraw/zinc/91/03/38/987910338.db2.gz PGGTYDIQUGJKQY-GJHMDTBVSA-N 2 1 224.348 1.223 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246542522 987910496 /nfs/dbraw/zinc/91/04/96/987910496.db2.gz QBENWURXWAKFGV-NNYUYHANSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246543103 987911503 /nfs/dbraw/zinc/91/15/03/987911503.db2.gz TVLOEZJUKZTTEZ-SDDRHHMPSA-N 2 1 212.337 1.367 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544968 987920238 /nfs/dbraw/zinc/92/02/38/987920238.db2.gz IOQGGHWYFDEPNE-FVCCEPFGSA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544968 987920249 /nfs/dbraw/zinc/92/02/49/987920249.db2.gz IOQGGHWYFDEPNE-FVCCEPFGSA-N 3 1 223.364 1.083 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546097 987925901 /nfs/dbraw/zinc/92/59/01/987925901.db2.gz YFCJPWYYFZRUOJ-NEPJUHHUSA-N 2 1 246.420 1.304 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246547602 987926287 /nfs/dbraw/zinc/92/62/87/987926287.db2.gz FCOONWXPJUDJBP-OPRDCNLKSA-N 2 1 202.367 1.550 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001246551184 987946207 /nfs/dbraw/zinc/94/62/07/987946207.db2.gz PPPVFLIZFUURMA-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCCOCC2)CCC1(F)F ZINC001246553702 987963341 /nfs/dbraw/zinc/96/33/41/987963341.db2.gz BXTBTPLJROKTBQ-GHMZBOCLSA-N 2 1 248.317 1.471 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246556053 987968492 /nfs/dbraw/zinc/96/84/92/987968492.db2.gz YHAAQZJQOSPJCF-YNEHKIRRSA-N 2 1 226.364 1.757 20 0 BDADMP CC1(C)CC[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246555552 987970431 /nfs/dbraw/zinc/97/04/31/987970431.db2.gz BZHQQUAQEYGCBY-OCCSQVGLSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246558480 987972302 /nfs/dbraw/zinc/97/23/02/987972302.db2.gz LDDCKFBLTGCTOI-HZSPNIEDSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1O ZINC001246557618 987975598 /nfs/dbraw/zinc/97/55/98/987975598.db2.gz NDTDZJKNAJRIFM-YIPFDTCYSA-N 2 1 238.375 1.362 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246558462 987976245 /nfs/dbraw/zinc/97/62/45/987976245.db2.gz QFKCUFMOUWTICG-VWYCJHECSA-N 2 1 200.326 1.081 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246558462 987976259 /nfs/dbraw/zinc/97/62/59/987976259.db2.gz QFKCUFMOUWTICG-VWYCJHECSA-N 2 1 200.326 1.081 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246560602 987981137 /nfs/dbraw/zinc/98/11/37/987981137.db2.gz QPZMZOQXQUPXPA-AVGNSLFASA-N 3 1 227.396 1.291 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563654 988007762 /nfs/dbraw/zinc/00/77/62/988007762.db2.gz LGOUDTCPOPQCIO-CSHRUCKSSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563654 988007776 /nfs/dbraw/zinc/00/77/76/988007776.db2.gz LGOUDTCPOPQCIO-CSHRUCKSSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC001246565256 988011607 /nfs/dbraw/zinc/01/16/07/988011607.db2.gz PHURZWLGCKHRAY-DGCLKSJQSA-N 2 1 234.343 1.965 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC001246565256 988011620 /nfs/dbraw/zinc/01/16/20/988011620.db2.gz PHURZWLGCKHRAY-DGCLKSJQSA-N 2 1 234.343 1.965 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC001246565250 988017573 /nfs/dbraw/zinc/01/75/73/988017573.db2.gz PHURZWLGCKHRAY-AAEUAGOBSA-N 2 1 234.343 1.965 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC001246565250 988017589 /nfs/dbraw/zinc/01/75/89/988017589.db2.gz PHURZWLGCKHRAY-AAEUAGOBSA-N 2 1 234.343 1.965 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC001118122496 988022136 /nfs/dbraw/zinc/02/21/36/988022136.db2.gz YMXWKWXMBLZEDE-UWVGGRQHSA-N 2 1 236.363 1.742 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246567663 988022662 /nfs/dbraw/zinc/02/26/62/988022662.db2.gz NJEJPQCEZOIWKV-PZWNZHSQSA-N 2 1 208.349 1.700 20 0 BDADMP C[N@H+]1CCC[C@H](N2C[C@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246569288 988043846 /nfs/dbraw/zinc/04/38/46/988043846.db2.gz DHPGCBQIAQVKKL-MNOVXSKESA-N 2 1 247.333 1.139 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001246571856 988064533 /nfs/dbraw/zinc/06/45/33/988064533.db2.gz XJUCSLJADULJPP-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP CN1CCC[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246576641 988083651 /nfs/dbraw/zinc/08/36/51/988083651.db2.gz MDNKOGGKLONKPD-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578786 988104029 /nfs/dbraw/zinc/10/40/29/988104029.db2.gz CDRDBMXQOIDGNI-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578786 988104036 /nfs/dbraw/zinc/10/40/36/988104036.db2.gz CDRDBMXQOIDGNI-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246583241 988123045 /nfs/dbraw/zinc/12/30/45/988123045.db2.gz IXHRLMQUDMXJRS-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246583241 988123055 /nfs/dbraw/zinc/12/30/55/988123055.db2.gz IXHRLMQUDMXJRS-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246588488 988157425 /nfs/dbraw/zinc/15/74/25/988157425.db2.gz ZSZKXBDZDYLCPH-SRVKXCTJSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590333 988167535 /nfs/dbraw/zinc/16/75/35/988167535.db2.gz SKCKKNFFUBYMSJ-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246595002 988187310 /nfs/dbraw/zinc/18/73/10/988187310.db2.gz XEUFBXOMNJSIGQ-IGQOVBAYSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246595002 988187319 /nfs/dbraw/zinc/18/73/19/988187319.db2.gz XEUFBXOMNJSIGQ-IGQOVBAYSA-N 3 1 239.407 1.576 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246594384 988189716 /nfs/dbraw/zinc/18/97/16/988189716.db2.gz QIULNFJFAMKGCA-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@@H]1CCCCN([C@@H]2CCC[NH2+]CC2)C1 ZINC001246594384 988189726 /nfs/dbraw/zinc/18/97/26/988189726.db2.gz QIULNFJFAMKGCA-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246611068 988236469 /nfs/dbraw/zinc/23/64/69/988236469.db2.gz RHYBSJZVHBQDNX-UKRRQHHQSA-N 3 1 249.402 1.347 20 0 BDADMP C1[NH2+]CC12CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246611064 988242916 /nfs/dbraw/zinc/24/29/16/988242916.db2.gz RHYBSJZVHBQDNX-DZGCQCFKSA-N 3 1 249.402 1.347 20 0 BDADMP C[C@@H]1C[C@@H](N2CCC(F)(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246623227 988276543 /nfs/dbraw/zinc/27/65/43/988276543.db2.gz BNOWKHBFQFOIGR-ZSBIGDGJSA-N 2 1 243.370 1.278 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246623562 988284038 /nfs/dbraw/zinc/28/40/38/988284038.db2.gz AROAXBYPZNJWPU-IZGVIRRGSA-N 3 1 249.402 1.345 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246623562 988284049 /nfs/dbraw/zinc/28/40/49/988284049.db2.gz AROAXBYPZNJWPU-IZGVIRRGSA-N 3 1 249.402 1.345 20 0 BDADMP c1nc2c(s1)C[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246638327 988338863 /nfs/dbraw/zinc/33/88/63/988338863.db2.gz LRGGYSBGTUTXLW-CKYFFXLPSA-N 2 1 249.383 1.437 20 0 BDADMP c1nc2c(s1)C[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246638327 988338883 /nfs/dbraw/zinc/33/88/83/988338883.db2.gz LRGGYSBGTUTXLW-CKYFFXLPSA-N 2 1 249.383 1.437 20 0 BDADMP CCCCC[C@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246640733 988351858 /nfs/dbraw/zinc/35/18/58/988351858.db2.gz GWNFNHWELXAZIY-UONOGXRCSA-N 2 1 239.407 1.593 20 0 BDADMP FC1CC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246644680 988355286 /nfs/dbraw/zinc/35/52/86/988355286.db2.gz RTWMYAYJWCHBNG-UHFFFAOYSA-N 2 1 226.339 1.953 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)CCO1 ZINC001246643021 988357817 /nfs/dbraw/zinc/35/78/17/988357817.db2.gz LRMXUVCMIWZZAM-BFHYXJOUSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246644242 988357855 /nfs/dbraw/zinc/35/78/55/988357855.db2.gz RHLWSDRQMQGRMN-MCIONIFRSA-N 2 1 237.391 1.202 20 0 BDADMP N[C@]12C[C@H]1C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246646232 988365744 /nfs/dbraw/zinc/36/57/44/988365744.db2.gz PEDFLCWGHXGEPN-PPWQZUPISA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246646232 988365753 /nfs/dbraw/zinc/36/57/53/988365753.db2.gz PEDFLCWGHXGEPN-PPWQZUPISA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246646232 988365764 /nfs/dbraw/zinc/36/57/64/988365764.db2.gz PEDFLCWGHXGEPN-PPWQZUPISA-N 3 1 249.402 1.332 20 0 BDADMP C1C[C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246657448 988388327 /nfs/dbraw/zinc/38/83/27/988388327.db2.gz QMAHJCPQQJIMTA-UPJWGTAASA-N 2 1 208.349 1.860 20 0 BDADMP CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660676 988391499 /nfs/dbraw/zinc/39/14/99/988391499.db2.gz IVDFXZKWGJUXKH-XHJNMGKDSA-N 3 1 237.391 1.186 20 0 BDADMP CCCC[C@@H]1C[C@@H](N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660676 988391507 /nfs/dbraw/zinc/39/15/07/988391507.db2.gz IVDFXZKWGJUXKH-XHJNMGKDSA-N 2 1 237.391 1.186 20 0 BDADMP C1C[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2O1 ZINC001246668611 988408537 /nfs/dbraw/zinc/40/85/37/988408537.db2.gz ZVLGARIRAAJOPZ-YIPFDTCYSA-N 2 1 236.359 1.380 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC3(F)F)C2)CC[NH2+]1 ZINC001246806236 988490199 /nfs/dbraw/zinc/49/01/99/988490199.db2.gz HDVMBYIRCBFAOE-GMTAPVOTSA-N 2 1 230.302 1.858 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC[NH2+]1 ZINC001246823243 988507405 /nfs/dbraw/zinc/50/74/05/988507405.db2.gz DIOASPBTKBPRAR-WYUUTHIRSA-N 2 1 222.332 1.038 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC[NH2+]1 ZINC001246823246 988512539 /nfs/dbraw/zinc/51/25/39/988512539.db2.gz DIOASPBTKBPRAR-YFKTTZPYSA-N 2 1 222.332 1.038 20 0 BDADMP C[C@@H]1CC[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@H]32)C[NH2+]1 ZINC001246830988 988523027 /nfs/dbraw/zinc/52/30/27/988523027.db2.gz JMZQMECMLZZUIJ-YIYPIFLZSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCO3)CC2)CC[NH2+]1 ZINC001246832892 988525831 /nfs/dbraw/zinc/52/58/31/988525831.db2.gz CTXCHEOXWAGKLE-VXGBXAGGSA-N 2 1 224.348 1.382 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246843876 988557500 /nfs/dbraw/zinc/55/75/00/988557500.db2.gz WZLHJFLIQNHAHN-CYBMUJFWSA-N 3 1 237.391 1.156 20 0 BDADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246843876 988557514 /nfs/dbraw/zinc/55/75/14/988557514.db2.gz WZLHJFLIQNHAHN-CYBMUJFWSA-N 3 1 237.391 1.156 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246850667 988564589 /nfs/dbraw/zinc/56/45/89/988564589.db2.gz CNFFIVJRCIIOCJ-VOAKCMCISA-N 2 1 208.349 1.988 20 0 BDADMP CC1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246851738 988573549 /nfs/dbraw/zinc/57/35/49/988573549.db2.gz HCELYAANEFMLBT-POOIEITISA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001246856288 988575937 /nfs/dbraw/zinc/57/59/37/988575937.db2.gz WPIZMTRMQWMOQE-OFIBSPLFSA-N 2 1 222.332 1.120 20 0 BDADMP CC[N@@H+](C1CCC([NH2+]C)CC1)[C@@H]1CCCNC1 ZINC001246855728 988577749 /nfs/dbraw/zinc/57/77/49/988577749.db2.gz WVNIPYUXAPCVTQ-JXQTWKCFSA-N 2 1 239.407 1.591 20 0 BDADMP CCN(C1CCC([NH2+]C)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246855728 988577759 /nfs/dbraw/zinc/57/77/59/988577759.db2.gz WVNIPYUXAPCVTQ-JXQTWKCFSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854949 988579616 /nfs/dbraw/zinc/57/96/16/988579616.db2.gz RNDDUGTVWUFNSA-KWCYVHTRSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854949 988579626 /nfs/dbraw/zinc/57/96/26/988579626.db2.gz RNDDUGTVWUFNSA-KWCYVHTRSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H]1CCC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246859918 988586564 /nfs/dbraw/zinc/58/65/64/988586564.db2.gz MPAYCNIFCHUQNT-VJBQPNPTSA-N 2 1 238.375 1.471 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246861355 988602707 /nfs/dbraw/zinc/60/27/07/988602707.db2.gz PBJFJRKBAUVNPF-BARDWOONSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246861355 988602713 /nfs/dbraw/zinc/60/27/13/988602713.db2.gz PBJFJRKBAUVNPF-BARDWOONSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246861355 988602719 /nfs/dbraw/zinc/60/27/19/988602719.db2.gz PBJFJRKBAUVNPF-BARDWOONSA-N 2 1 249.402 1.332 20 0 BDADMP CCC1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246864798 988609314 /nfs/dbraw/zinc/60/93/14/988609314.db2.gz AQWXAHLEXONKBV-MVKMKZAISA-N 2 1 208.349 1.988 20 0 BDADMP CCC1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246864798 988609346 /nfs/dbraw/zinc/60/93/46/988609346.db2.gz AQWXAHLEXONKBV-MVKMKZAISA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865047 988613435 /nfs/dbraw/zinc/61/34/35/988613435.db2.gz XPWNYDBFWNKCTD-VXGQWTEUSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@@]12CC[C@H]1C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865047 988613448 /nfs/dbraw/zinc/61/34/48/988613448.db2.gz XPWNYDBFWNKCTD-VXGQWTEUSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@@]12CC[C@H]1C[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865047 988613469 /nfs/dbraw/zinc/61/34/69/988613469.db2.gz XPWNYDBFWNKCTD-VXGQWTEUSA-N 2 1 249.402 1.332 20 0 BDADMP COc1cccc2c1C[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246869053 988625305 /nfs/dbraw/zinc/62/53/05/988625305.db2.gz DHXBFSLLUSBUBH-UHFFFAOYSA-N 2 1 232.327 1.763 20 0 BDADMP COc1cccc2c1C[N@H+](C1CC[NH2+]CC1)C2 ZINC001246869053 988625315 /nfs/dbraw/zinc/62/53/15/988625315.db2.gz DHXBFSLLUSBUBH-UHFFFAOYSA-N 2 1 232.327 1.763 20 0 BDADMP C[C@@H]1C[C@H](N2CC3(C2)CC[NH+](C)CC3)CC[NH2+]1 ZINC001246871859 988633699 /nfs/dbraw/zinc/63/36/99/988633699.db2.gz NYKBDOUHIUFJAO-CHWSQXEVSA-N 2 1 237.391 1.155 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H](C)NC[C@@H]2C)CC1 ZINC001246873572 988637554 /nfs/dbraw/zinc/63/75/54/988637554.db2.gz RZSNQCKRMJITMK-ZSVAQUKISA-N 2 1 225.380 1.199 20 0 BDADMP C[NH2+]C1CCC(N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC001246873572 988637562 /nfs/dbraw/zinc/63/75/62/988637562.db2.gz RZSNQCKRMJITMK-ZSVAQUKISA-N 2 1 225.380 1.199 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906808 988678741 /nfs/dbraw/zinc/67/87/41/988678741.db2.gz ARGJMTDWMYAPEF-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906808 988678746 /nfs/dbraw/zinc/67/87/46/988678746.db2.gz ARGJMTDWMYAPEF-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP C[C@@H]1C[C@H](N2CC[C@@H]([N@@H+](C)C3CC3)C2)CC[NH2+]1 ZINC001246910126 988686474 /nfs/dbraw/zinc/68/64/74/988686474.db2.gz KNDPNGYDPIATKX-MRVWCRGKSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+](CCO)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246911666 988697091 /nfs/dbraw/zinc/69/70/91/988697091.db2.gz IHPICQCMAQKWRM-LSDHHAIUSA-N 2 1 248.370 1.274 20 0 BDADMP NC[C@H]1CCC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246917616 988721551 /nfs/dbraw/zinc/72/15/51/988721551.db2.gz RQOGZSDQEAITFE-MJBXVCDLSA-N 2 1 237.391 1.332 20 0 BDADMP CC(C)[N@@H+](CCCCCO)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246925067 988748769 /nfs/dbraw/zinc/74/87/69/988748769.db2.gz KULQREPLQKLFCQ-UONOGXRCSA-N 2 1 242.407 2.000 20 0 BDADMP C1[NH2+][C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924882 988752082 /nfs/dbraw/zinc/75/20/82/988752082.db2.gz NIOTZTBVIWTOSD-FEWQNLEASA-N 3 1 249.402 1.202 20 0 BDADMP C1N[C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924882 988752096 /nfs/dbraw/zinc/75/20/96/988752096.db2.gz NIOTZTBVIWTOSD-FEWQNLEASA-N 2 1 249.402 1.202 20 0 BDADMP C1N[C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924882 988752112 /nfs/dbraw/zinc/75/21/12/988752112.db2.gz NIOTZTBVIWTOSD-FEWQNLEASA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+][C@@H]2CN(C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924882 988752132 /nfs/dbraw/zinc/75/21/32/988752132.db2.gz NIOTZTBVIWTOSD-FEWQNLEASA-N 2 1 249.402 1.202 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](n3ccnn3)C2)CC[NH2+]1 ZINC001246944557 988777976 /nfs/dbraw/zinc/77/79/76/988777976.db2.gz HVQWBOREVSHHAH-AGIUHOORSA-N 2 1 249.362 1.056 20 0 BDADMP C1C[C@@]2(CCOC2)[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246945785 988778385 /nfs/dbraw/zinc/77/83/85/988778385.db2.gz XZINAGOVEXVYHD-HNGCFSAESA-N 2 1 222.332 1.134 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C3(COC3)C2)C[C@@H](C)C1 ZINC001246985297 988813894 /nfs/dbraw/zinc/81/38/94/988813894.db2.gz AOHNPHCCXHDMKZ-LOWDOPEQSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C3(COC3)C2)C[C@@H](C)C1 ZINC001246985297 988813896 /nfs/dbraw/zinc/81/38/96/988813896.db2.gz AOHNPHCCXHDMKZ-LOWDOPEQSA-N 2 1 238.375 1.471 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990106 988821426 /nfs/dbraw/zinc/82/14/26/988821426.db2.gz OBVCXNSAWRFQTH-XQQFMLRXSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990106 988821429 /nfs/dbraw/zinc/82/14/29/988821429.db2.gz OBVCXNSAWRFQTH-XQQFMLRXSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])Cc1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001119062245 988823614 /nfs/dbraw/zinc/82/36/14/988823614.db2.gz IWMRTRAOQZDNQL-GZMMTYOYSA-N 2 1 232.287 1.007 20 0 BDADMP C[N@H+]1CCN([C@H]2CCC[NH2+]C2)C2(CCCC2)C1 ZINC001246990752 988825994 /nfs/dbraw/zinc/82/59/94/988825994.db2.gz IYNMWAGVEJUAAS-ZDUSSCGKSA-N 2 1 237.391 1.299 20 0 BDADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CC[NH2+]C ZINC001246997045 988828452 /nfs/dbraw/zinc/82/84/52/988828452.db2.gz USNDCBVUGRJEOV-CHWSQXEVSA-N 3 1 227.396 1.306 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CC[NH2+]C ZINC001246997045 988828455 /nfs/dbraw/zinc/82/84/55/988828455.db2.gz USNDCBVUGRJEOV-CHWSQXEVSA-N 3 1 227.396 1.306 20 0 BDADMP O=C1CCC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC001247006160 988836252 /nfs/dbraw/zinc/83/62/52/988836252.db2.gz TWAVRUQGQFBBSE-MWWBDVBNSA-N 2 1 248.370 1.570 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CO1 ZINC001247016158 988844841 /nfs/dbraw/zinc/84/48/41/988844841.db2.gz SAODTXBAROGNRD-RWMBFGLXSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017135 988845687 /nfs/dbraw/zinc/84/56/87/988845687.db2.gz ZVSNLINUDRTWSX-IGQOVBAYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017135 988845688 /nfs/dbraw/zinc/84/56/88/988845688.db2.gz ZVSNLINUDRTWSX-IGQOVBAYSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCC3CC3)CC[C@H]21 ZINC001119317387 988934615 /nfs/dbraw/zinc/93/46/15/988934615.db2.gz LYQKQENWBJVRSS-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCC3CC3)CC[C@H]21 ZINC001119317387 988934623 /nfs/dbraw/zinc/93/46/23/988934623.db2.gz LYQKQENWBJVRSS-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCC3CC3)CC[C@H]21 ZINC001119317387 988934631 /nfs/dbraw/zinc/93/46/31/988934631.db2.gz LYQKQENWBJVRSS-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCC3CC3)CC[C@H]21 ZINC001119317387 988934638 /nfs/dbraw/zinc/93/46/38/988934638.db2.gz LYQKQENWBJVRSS-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC001119629796 989260718 /nfs/dbraw/zinc/26/07/18/989260718.db2.gz ATMMUILNTYNFRW-BJDJZHNGSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001119629798 989262345 /nfs/dbraw/zinc/26/23/45/989262345.db2.gz ATMMUILNTYNFRW-QCNOEVLYSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001119629802 989263837 /nfs/dbraw/zinc/26/38/37/989263837.db2.gz ATMMUILNTYNFRW-YFKTTZPYSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@]1(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]C1 ZINC001326231872 989435156 /nfs/dbraw/zinc/43/51/56/989435156.db2.gz LKTXIZHUMORNRY-QNMSZWNNSA-N 2 1 238.375 1.079 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2cccnc21 ZINC001326474463 989571879 /nfs/dbraw/zinc/57/18/79/989571879.db2.gz XSEDXRUQTPZIJE-YPMHNXCESA-N 2 1 233.359 1.904 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC001120343463 989632973 /nfs/dbraw/zinc/63/29/73/989632973.db2.gz HNJYTQDYJWZHBC-LLVKDONJSA-N 2 1 237.347 1.851 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC001326688031 989652022 /nfs/dbraw/zinc/65/20/22/989652022.db2.gz MZZSKYQQHYKABO-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC001326688131 989652658 /nfs/dbraw/zinc/65/26/58/989652658.db2.gz OYLQGKQWCWHIGD-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)[C@@H](CNc1cc[nH+]c(N)n1)[NH+]1CCCC1 ZINC001120796636 989886603 /nfs/dbraw/zinc/88/66/03/989886603.db2.gz CRGIQPQWXVVSDC-LLVKDONJSA-N 2 1 249.362 1.591 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CC2(CO)CC2)CC1 ZINC001308700789 991099430 /nfs/dbraw/zinc/09/94/30/991099430.db2.gz CNKXZEBGJUFYPA-UHFFFAOYSA-N 2 1 240.391 1.423 20 0 BDADMP Cc1cn[nH]c1C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001308965967 991238729 /nfs/dbraw/zinc/23/87/29/991238729.db2.gz JZYAEBNKDVKOOI-GFCCVEGCSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1c[nH]nc1C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001308965967 991238742 /nfs/dbraw/zinc/23/87/42/991238742.db2.gz JZYAEBNKDVKOOI-GFCCVEGCSA-N 2 1 234.347 1.150 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](CCc2cscn2)C1 ZINC001559740195 991240617 /nfs/dbraw/zinc/24/06/17/991240617.db2.gz GSHMKPUSSUAHHP-NSHDSACASA-N 2 1 239.388 1.569 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2cscn2)C1 ZINC001559740195 991240629 /nfs/dbraw/zinc/24/06/29/991240629.db2.gz GSHMKPUSSUAHHP-NSHDSACASA-N 2 1 239.388 1.569 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258351240 991282888 /nfs/dbraw/zinc/28/28/88/991282888.db2.gz KTWOSAJZIWOQAY-NEPJUHHUSA-N 2 1 242.363 1.402 20 0 BDADMP CCC1(C[N@@H+](C)CC2CC[NH+](C)CC2)COC1 ZINC001202957528 991309059 /nfs/dbraw/zinc/30/90/59/991309059.db2.gz DIEPAKDHPPNJQO-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP CCCCC[C@H](CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001258432310 991367207 /nfs/dbraw/zinc/36/72/07/991367207.db2.gz OQLJIFCFLCKGKA-RYUDHWBXSA-N 2 1 244.379 1.683 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3ccnc(F)c3)C2)CC1 ZINC001139835612 991394737 /nfs/dbraw/zinc/39/47/37/991394737.db2.gz FPNQQFZZWANBOW-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560187058 991404805 /nfs/dbraw/zinc/40/48/05/991404805.db2.gz VTAJAUPKEJUIHV-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001560187058 991404808 /nfs/dbraw/zinc/40/48/08/991404808.db2.gz VTAJAUPKEJUIHV-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001560187058 991404811 /nfs/dbraw/zinc/40/48/11/991404811.db2.gz VTAJAUPKEJUIHV-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](CC1CC1)[NH2+]CCC[N@@H+](C)CCO ZINC001258456181 991409626 /nfs/dbraw/zinc/40/96/26/991409626.db2.gz HXCSXGXAFJEBKQ-NSHDSACASA-N 2 1 214.353 1.079 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCSCC3)[C@H]2C1 ZINC001560623514 991522861 /nfs/dbraw/zinc/52/28/61/991522861.db2.gz ZPRGEOYSTALLFM-DRZSPHRISA-N 2 1 240.416 1.812 20 0 BDADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)CC(C)C ZINC001317466242 991526652 /nfs/dbraw/zinc/52/66/52/991526652.db2.gz YQYPFYVJRCHCPZ-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)CC(C)C ZINC001317466242 991526662 /nfs/dbraw/zinc/52/66/62/991526662.db2.gz YQYPFYVJRCHCPZ-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)CC(C)C ZINC001317466242 991526672 /nfs/dbraw/zinc/52/66/72/991526672.db2.gz YQYPFYVJRCHCPZ-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)nc3)[C@@H]2C1 ZINC001560623163 991527895 /nfs/dbraw/zinc/52/78/95/991527895.db2.gz QQOPBBWEOTYTID-XQQFMLRXSA-N 2 1 249.333 1.651 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)nc3)[C@@H]2C1 ZINC001560623163 991527906 /nfs/dbraw/zinc/52/79/06/991527906.db2.gz QQOPBBWEOTYTID-XQQFMLRXSA-N 2 1 249.333 1.651 20 0 BDADMP CCCCC[C@@H](CCC)[N@@H+](CCN)CCO ZINC001258660927 991588043 /nfs/dbraw/zinc/58/80/43/991588043.db2.gz AQNUKRABKJUFNJ-CYBMUJFWSA-N 2 1 230.396 1.988 20 0 BDADMP CCCCC[C@@H](CCC)[N@@H+](CC[NH3+])CCO ZINC001258660927 991588064 /nfs/dbraw/zinc/58/80/64/991588064.db2.gz AQNUKRABKJUFNJ-CYBMUJFWSA-N 2 1 230.396 1.988 20 0 BDADMP C[C@H]1CCC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001258811292 991817665 /nfs/dbraw/zinc/81/76/65/991817665.db2.gz XRRTZYORAHVNAA-TUAOUCFPSA-N 2 1 237.347 1.496 20 0 BDADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258831556 991864978 /nfs/dbraw/zinc/86/49/78/991864978.db2.gz YNRSGKVRYSWRTO-CHWSQXEVSA-N 2 1 228.380 1.763 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCOC1=O ZINC001258898226 991890752 /nfs/dbraw/zinc/89/07/52/991890752.db2.gz TXUPCOPFUKLHFI-RYUDHWBXSA-N 2 1 242.363 1.402 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001258898752 991894910 /nfs/dbraw/zinc/89/49/10/991894910.db2.gz RLNKQXZWDXPJOU-GFCCVEGCSA-N 3 1 229.412 1.824 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@](C)(O)C1 ZINC001258910386 991899735 /nfs/dbraw/zinc/89/97/35/991899735.db2.gz QTHWLJBEOSPPCK-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001258907873 991901045 /nfs/dbraw/zinc/90/10/45/991901045.db2.gz NOZOZAINSPADEO-RWMBFGLXSA-N 2 1 246.370 1.512 20 0 BDADMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH2+]C(C)C ZINC001568793514 992218853 /nfs/dbraw/zinc/21/88/53/992218853.db2.gz OECMAXGRKUXVMQ-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(F)c(OC)c1 ZINC001261370267 992278853 /nfs/dbraw/zinc/27/88/53/992278853.db2.gz DEEUPFLEENGYFL-JTQLQIEISA-N 2 1 240.322 1.922 20 0 BDADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001569092243 992299933 /nfs/dbraw/zinc/29/99/33/992299933.db2.gz DSONELFAXGTCDM-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001261566654 992388136 /nfs/dbraw/zinc/38/81/36/992388136.db2.gz VBJWZHKWJXHBSJ-NEPJUHHUSA-N 2 1 240.395 1.631 20 0 BDADMP FCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001262077772 992651412 /nfs/dbraw/zinc/65/14/12/992651412.db2.gz OKDPFNKIPBVGGN-LLVKDONJSA-N 2 1 200.301 1.422 20 0 BDADMP FCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001262077772 992651424 /nfs/dbraw/zinc/65/14/24/992651424.db2.gz OKDPFNKIPBVGGN-LLVKDONJSA-N 2 1 200.301 1.422 20 0 BDADMP COc1cncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC001574052070 992802446 /nfs/dbraw/zinc/80/24/46/992802446.db2.gz FZXIQSICAMMZAU-LBPRGKRZSA-N 2 1 249.358 1.569 20 0 BDADMP COc1cncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC001574052070 992802449 /nfs/dbraw/zinc/80/24/49/992802449.db2.gz FZXIQSICAMMZAU-LBPRGKRZSA-N 2 1 249.358 1.569 20 0 BDADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCF)CCC1 ZINC001262486366 992890612 /nfs/dbraw/zinc/89/06/12/992890612.db2.gz RTHMVCLMERUZPH-NSHDSACASA-N 2 1 214.328 1.939 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001574801504 992913279 /nfs/dbraw/zinc/91/32/79/992913279.db2.gz QMYANWCGVQZENL-ZIAGYGMSSA-N 3 1 237.391 1.060 20 0 BDADMP CC(C)(C)c1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 ZINC001575285420 993003783 /nfs/dbraw/zinc/00/37/83/993003783.db2.gz XXNPMYRTLKIOPO-XYPYZODXSA-N 2 1 234.347 1.353 20 0 BDADMP CC(C)(C[NH2+][C@H]1CCC[NH2+]C1)C1=CCOCC1 ZINC001575335006 993015514 /nfs/dbraw/zinc/01/55/14/993015514.db2.gz YPHRNPRJXTZXTO-ZDUSSCGKSA-N 2 1 238.375 1.701 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575423070 993040195 /nfs/dbraw/zinc/04/01/95/993040195.db2.gz ORCYDQVPFWYPMX-IUCAKERBSA-N 2 1 242.285 1.263 20 0 BDADMP Nc1nc(NC[C@H]2CC[N@@H+]2C2CCCC2)cc[nH+]1 ZINC001262703347 993044808 /nfs/dbraw/zinc/04/48/08/993044808.db2.gz GESMAXYDFKALTG-LLVKDONJSA-N 2 1 247.346 1.488 20 0 BDADMP Nc1nc(NC[C@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC001262703347 993044816 /nfs/dbraw/zinc/04/48/16/993044816.db2.gz GESMAXYDFKALTG-LLVKDONJSA-N 2 1 247.346 1.488 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001575555843 993073320 /nfs/dbraw/zinc/07/33/20/993073320.db2.gz UZWNWTAJQDLAEY-OTTFEQOBSA-N 2 1 226.364 1.125 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575648798 993093088 /nfs/dbraw/zinc/09/30/88/993093088.db2.gz OSLGIUOSJCVSPJ-MJBXVCDLSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H](CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC001575966875 993144264 /nfs/dbraw/zinc/14/42/64/993144264.db2.gz ISMZDJRJXUOTIT-OLZOCXBDSA-N 3 1 241.423 1.694 20 0 BDADMP C[C@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Cn1cccn1 ZINC001576033050 993163454 /nfs/dbraw/zinc/16/34/54/993163454.db2.gz LHRVHRRKVMSMHY-NXEZZACHSA-N 2 1 246.305 1.091 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001576155753 993196679 /nfs/dbraw/zinc/19/66/79/993196679.db2.gz CESTVTRMSCWIQA-QJPTWQEYSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001576155753 993196684 /nfs/dbraw/zinc/19/66/84/993196684.db2.gz CESTVTRMSCWIQA-QJPTWQEYSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCO1 ZINC001576250217 993231714 /nfs/dbraw/zinc/23/17/14/993231714.db2.gz CKMBSZPCKCFBOB-LDMBFOFVSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@](O)(C[NH3+])C[N@@H+](CCC1CC1)CC1CC1 ZINC001576259487 993236489 /nfs/dbraw/zinc/23/64/89/993236489.db2.gz PXLJTWVUJAWAOT-ZDUSSCGKSA-N 2 1 226.364 1.208 20 0 BDADMP C[C@@H](O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576262570 993236557 /nfs/dbraw/zinc/23/65/57/993236557.db2.gz FHKLCEUDHZJYPL-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576268737 993241288 /nfs/dbraw/zinc/24/12/88/993241288.db2.gz FPHHUUZGAJFFCB-MROQNXINSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576269013 993245759 /nfs/dbraw/zinc/24/57/59/993245759.db2.gz KHYDPDTTXQDPDV-RVMXOQNASA-N 2 1 226.364 1.349 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)CC1CC1 ZINC000379792409 993280120 /nfs/dbraw/zinc/28/01/20/993280120.db2.gz JNUTYUXQCKXPHH-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+](CC)C1CC1 ZINC000379953459 993299392 /nfs/dbraw/zinc/29/93/92/993299392.db2.gz LCGJUODUDHPTEX-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](CC)C1CC1 ZINC000379953459 993299404 /nfs/dbraw/zinc/29/94/04/993299404.db2.gz LCGJUODUDHPTEX-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1COC(C)(C)O1 ZINC001576495950 993321331 /nfs/dbraw/zinc/32/13/31/993321331.db2.gz XXUQTPMOKCUHAK-UWVGGRQHSA-N 2 1 230.352 1.101 20 0 BDADMP CC1(C)OC[C@H](C[NH2+][C@@H](C[NH3+])C2CCCC2)O1 ZINC001576495278 993321728 /nfs/dbraw/zinc/32/17/28/993321728.db2.gz MWUZTAVJSKJDRR-RYUDHWBXSA-N 2 1 242.363 1.245 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1COC(C)(C)O1 ZINC001576495953 993321892 /nfs/dbraw/zinc/32/18/92/993321892.db2.gz XXUQTPMOKCUHAK-VHSXEESVSA-N 2 1 230.352 1.101 20 0 BDADMP CC1(C)C[N@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]2COC[C@@H]21 ZINC001576503968 993325394 /nfs/dbraw/zinc/32/53/94/993325394.db2.gz YXDZKLAJEAZFNR-OUCADQQQSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@]1(CO)CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001576525835 993330519 /nfs/dbraw/zinc/33/05/19/993330519.db2.gz ITDNAVDURJHDFI-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380395220 993331223 /nfs/dbraw/zinc/33/12/23/993331223.db2.gz JAEYWRIBGVIFEX-RWMBFGLXSA-N 2 1 240.391 1.277 20 0 BDADMP CC12CC(C[N@H+]3CC[C@H](CC[NH3+])C3)(C1)CO2 ZINC001576552930 993344006 /nfs/dbraw/zinc/34/40/06/993344006.db2.gz HTQOEYJQDMOKMJ-HIFPTAJRSA-N 2 1 224.348 1.226 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@H](O)C2)CC[NH2+]1 ZINC001576598588 993363052 /nfs/dbraw/zinc/36/30/52/993363052.db2.gz MTKBFSSVMPKPAS-FDYHWXHSSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]1CCC(=O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC001576636221 993380456 /nfs/dbraw/zinc/38/04/56/993380456.db2.gz HQXVQCYUZZKGPL-JTQLQIEISA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H]1CCC(=O)C[N@H+]1CC1CC[NH2+]CC1 ZINC001576636221 993380462 /nfs/dbraw/zinc/38/04/62/993380462.db2.gz HQXVQCYUZZKGPL-JTQLQIEISA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H]1CC[C@](CO)([N@@H+](C)CCCCCC[NH3+])C1 ZINC001576652792 993384789 /nfs/dbraw/zinc/38/47/89/993384789.db2.gz YUKFBHWIVMAPMJ-KBPBESRZSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@H]1CC[C@](CO)([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576650828 993384808 /nfs/dbraw/zinc/38/48/08/993384808.db2.gz NOKWBISHSBNCDO-CRWXNKLISA-N 2 1 240.391 1.325 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC000381323901 993385176 /nfs/dbraw/zinc/38/51/76/993385176.db2.gz QBRFFFWPUSBYNZ-AGIUHOORSA-N 2 1 228.380 1.730 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC3(C2)OCCO3)C[NH2+]1 ZINC001576667923 993386137 /nfs/dbraw/zinc/38/61/37/993386137.db2.gz WOONGNWCFHOPCC-IJLUTSLNSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)C[NH2+]CCO2)CS1 ZINC001576669862 993388641 /nfs/dbraw/zinc/38/86/41/993388641.db2.gz AZXZIEYANGXJND-WOPDTQHZSA-N 2 1 244.404 1.239 20 0 BDADMP CCc1nc(N2CCC[C@H]([NH3+])[C@H]2C)cc(C)[nH+]1 ZINC000381452506 993397869 /nfs/dbraw/zinc/39/78/69/993397869.db2.gz HGDBCLMNKORAJT-MNOVXSKESA-N 2 1 234.347 1.663 20 0 BDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCC(C)(C)[NH3+] ZINC001576705512 993399211 /nfs/dbraw/zinc/39/92/11/993399211.db2.gz TVODZHGBMHJFCQ-NEPJUHHUSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NCC(C)(C)[NH3+] ZINC001576705513 993400856 /nfs/dbraw/zinc/40/08/56/993400856.db2.gz TVODZHGBMHJFCQ-NWDGAFQWSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001576748666 993411880 /nfs/dbraw/zinc/41/18/80/993411880.db2.gz KTDPFPDNEMRXFX-BZPMIXESSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001576806510 993427801 /nfs/dbraw/zinc/42/78/01/993427801.db2.gz GMHQTLMTTJWVMS-RFHZTLPTSA-N 2 1 238.375 1.341 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001576806510 993427805 /nfs/dbraw/zinc/42/78/05/993427805.db2.gz GMHQTLMTTJWVMS-RFHZTLPTSA-N 2 1 238.375 1.341 20 0 BDADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC001576808005 993432500 /nfs/dbraw/zinc/43/25/00/993432500.db2.gz YFGFRRJINWJLGW-CYBMUJFWSA-N 2 1 239.407 1.260 20 0 BDADMP CC[N@@H+](C[C@H](O)CN1CCCC1)C(C)(C)C ZINC000382198173 993441894 /nfs/dbraw/zinc/44/18/94/993441894.db2.gz YTZQXPUPCRTFDH-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000382198173 993441898 /nfs/dbraw/zinc/44/18/98/993441898.db2.gz YTZQXPUPCRTFDH-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000382198173 993441901 /nfs/dbraw/zinc/44/19/01/993441901.db2.gz YTZQXPUPCRTFDH-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)OC ZINC001577090686 993502195 /nfs/dbraw/zinc/50/21/95/993502195.db2.gz UQVGANZXOSWDQF-GHMZBOCLSA-N 2 1 240.347 1.060 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001577124907 993503114 /nfs/dbraw/zinc/50/31/14/993503114.db2.gz WLIFYNZKKNSQOB-YVNMAJEFSA-N 2 1 242.363 1.434 20 0 BDADMP c1cnn(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000383746783 993514398 /nfs/dbraw/zinc/51/43/98/993514398.db2.gz JFKULRQOSHVCPB-UHFFFAOYSA-N 2 1 234.347 1.100 20 0 BDADMP CC[C@@]1(O)CCC[N@@H+](CC2(C[NH3+])CCC2)C1 ZINC001577233232 993552713 /nfs/dbraw/zinc/55/27/13/993552713.db2.gz GKYFVWOWHPOQKN-CYBMUJFWSA-N 2 1 226.364 1.352 20 0 BDADMP CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577240402 993554007 /nfs/dbraw/zinc/55/40/07/993554007.db2.gz GJAXRDSFZYSUFL-UMSGYPCISA-N 2 1 226.364 1.207 20 0 BDADMP CCC[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001577369894 993629782 /nfs/dbraw/zinc/62/97/82/993629782.db2.gz VQDDVNOEOZUVEJ-GRYCIOLGSA-N 2 1 214.353 1.207 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001577369894 993629794 /nfs/dbraw/zinc/62/97/94/993629794.db2.gz VQDDVNOEOZUVEJ-GRYCIOLGSA-N 2 1 214.353 1.207 20 0 BDADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H](O)C[NH2+]C)C1 ZINC001577371656 993629988 /nfs/dbraw/zinc/62/99/88/993629988.db2.gz GCBUIPSIXSGSBR-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001577401011 993646001 /nfs/dbraw/zinc/64/60/01/993646001.db2.gz UCGXZDSPRSZEHD-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001577404311 993646495 /nfs/dbraw/zinc/64/64/95/993646495.db2.gz SKZIFWSSHRUYEB-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001577404311 993646503 /nfs/dbraw/zinc/64/65/03/993646503.db2.gz SKZIFWSSHRUYEB-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC001577403811 993646655 /nfs/dbraw/zinc/64/66/55/993646655.db2.gz JGFVIKUPYWAVSR-SRVKXCTJSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001577403811 993646660 /nfs/dbraw/zinc/64/66/60/993646660.db2.gz JGFVIKUPYWAVSR-SRVKXCTJSA-N 2 1 241.379 1.055 20 0 BDADMP C[N@@H+](CCCC[NH3+])C[C@H]1Cc2ccccc2O1 ZINC000385068220 993646768 /nfs/dbraw/zinc/64/67/68/993646768.db2.gz CJUVGNBVCYVOBI-CYBMUJFWSA-N 2 1 234.343 1.661 20 0 BDADMP CCCC[N@@H+]1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001577458044 993668983 /nfs/dbraw/zinc/66/89/83/993668983.db2.gz QBYIERUOFIJBIQ-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[N@H+]1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001577458044 993668984 /nfs/dbraw/zinc/66/89/84/993668984.db2.gz QBYIERUOFIJBIQ-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP CCC[N@H+](CC(=O)OCC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577504508 993675007 /nfs/dbraw/zinc/67/50/07/993675007.db2.gz TXEDFIPURWGDST-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCC[NH2+]C ZINC001577510347 993677544 /nfs/dbraw/zinc/67/75/44/993677544.db2.gz LBBIHBQRCXTMPF-GFCCVEGCSA-N 2 1 243.395 1.223 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001577535773 993679778 /nfs/dbraw/zinc/67/97/78/993679778.db2.gz HMSKBFBYBWFGKO-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001577535773 993679781 /nfs/dbraw/zinc/67/97/81/993679781.db2.gz HMSKBFBYBWFGKO-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP CCOC(=O)C[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000387308267 993706602 /nfs/dbraw/zinc/70/66/02/993706602.db2.gz ZUIIMWVXIBRPLI-LLVKDONJSA-N 2 1 242.363 1.402 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001577655035 993708334 /nfs/dbraw/zinc/70/83/34/993708334.db2.gz PFQWMDIEAPFORY-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+](CC(=O)N(C)C)CC(CC)(CC)C[NH3+] ZINC001577663171 993716707 /nfs/dbraw/zinc/71/67/07/993716707.db2.gz JSSGZJVBEPYZLR-UHFFFAOYSA-N 2 1 243.395 1.162 20 0 BDADMP CC[N@@H+](CC(=O)N(C)C)CC(CC)(CC)C[NH3+] ZINC001577663171 993716718 /nfs/dbraw/zinc/71/67/18/993716718.db2.gz JSSGZJVBEPYZLR-UHFFFAOYSA-N 2 1 243.395 1.162 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[NH+](C)CC2)C1 ZINC000389556276 993747798 /nfs/dbraw/zinc/74/77/98/993747798.db2.gz RQDSKVAODQWHBR-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@H+](C)CC2)C1 ZINC000389556276 993747804 /nfs/dbraw/zinc/74/78/04/993747804.db2.gz RQDSKVAODQWHBR-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](C)CC2)C1 ZINC000389556276 993747809 /nfs/dbraw/zinc/74/78/09/993747809.db2.gz RQDSKVAODQWHBR-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC000389556276 993747817 /nfs/dbraw/zinc/74/78/17/993747817.db2.gz RQDSKVAODQWHBR-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC000389556276 993747825 /nfs/dbraw/zinc/74/78/25/993747825.db2.gz RQDSKVAODQWHBR-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP Fc1cncc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000700784056 993846335 /nfs/dbraw/zinc/84/63/35/993846335.db2.gz LKTJIAZJRNEGOH-UHFFFAOYSA-N 2 1 209.268 1.062 20 0 BDADMP Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC000393169717 993909406 /nfs/dbraw/zinc/90/94/06/993909406.db2.gz AHUPKQACKNLGTL-LBPRGKRZSA-N 2 1 219.332 1.703 20 0 BDADMP COc1ncccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC000393181917 993909551 /nfs/dbraw/zinc/90/95/51/993909551.db2.gz CJCZALPAUHTHPZ-GFCCVEGCSA-N 2 1 235.331 1.403 20 0 BDADMP COc1ncccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000393181917 993909559 /nfs/dbraw/zinc/90/95/59/993909559.db2.gz CJCZALPAUHTHPZ-GFCCVEGCSA-N 2 1 235.331 1.403 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000393993276 994026259 /nfs/dbraw/zinc/02/62/59/994026259.db2.gz VUTZEDXYWXCFFM-LBPRGKRZSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc[nH]c(=O)c1 ZINC001333764860 994513915 /nfs/dbraw/zinc/51/39/15/994513915.db2.gz PCPJCYIRHUUGKM-DGCLKSJQSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc[nH]c(=O)c1 ZINC001333764860 994513925 /nfs/dbraw/zinc/51/39/25/994513925.db2.gz PCPJCYIRHUUGKM-DGCLKSJQSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC001333764860 994513935 /nfs/dbraw/zinc/51/39/35/994513935.db2.gz PCPJCYIRHUUGKM-DGCLKSJQSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC001333764860 994513947 /nfs/dbraw/zinc/51/39/47/994513947.db2.gz PCPJCYIRHUUGKM-DGCLKSJQSA-N 2 1 249.358 1.559 20 0 BDADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001304167669 995194460 /nfs/dbraw/zinc/19/44/60/995194460.db2.gz ZABGFIPLWDSXDL-LBPRGKRZSA-N 2 1 244.298 1.367 20 0 BDADMP Cc1cccnc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000161119693 538914214 /nfs/dbraw/zinc/91/42/14/538914214.db2.gz KRLPAWCYIBDJBV-RYUDHWBXSA-N 2 1 217.316 1.041 20 0 BDADMP C[N@@H+](CCNCc1ncc[nH]1)C1CCCC1 ZINC000070945374 398142236 /nfs/dbraw/zinc/14/22/36/398142236.db2.gz QHRCZXSSROYQBS-UHFFFAOYSA-N 2 1 222.336 1.374 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000163173826 187322348 /nfs/dbraw/zinc/32/23/48/187322348.db2.gz UEDQHKLRBLINOO-GXTWGEPZSA-N 2 1 248.370 1.907 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCOC1 ZINC000161724326 349490365 /nfs/dbraw/zinc/49/03/65/349490365.db2.gz URTKQUKMKBXHKK-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCO)C1 ZINC000336704641 187321304 /nfs/dbraw/zinc/32/13/04/187321304.db2.gz NFZJCABDVDFLKA-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCO)C1 ZINC000336704641 187321306 /nfs/dbraw/zinc/32/13/06/187321306.db2.gz NFZJCABDVDFLKA-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCO)C1 ZINC000336704641 187321308 /nfs/dbraw/zinc/32/13/08/187321308.db2.gz NFZJCABDVDFLKA-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn2ccccc12 ZINC000071373292 398147815 /nfs/dbraw/zinc/14/78/15/398147815.db2.gz GHXSUOAMCOMZTO-GFCCVEGCSA-N 2 1 246.358 1.764 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000337063539 187323507 /nfs/dbraw/zinc/32/35/07/187323507.db2.gz YUDOGGMANMNHRK-CYBMUJFWSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCCc2ccccc2C1 ZINC000062944505 349502612 /nfs/dbraw/zinc/50/26/12/349502612.db2.gz AWVFWDVKAYHZNO-NSHDSACASA-N 2 1 204.317 1.782 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCCc2ccccc2C1 ZINC000062944505 349502615 /nfs/dbraw/zinc/50/26/15/349502615.db2.gz AWVFWDVKAYHZNO-NSHDSACASA-N 2 1 204.317 1.782 20 0 BDADMP CCN1CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000415012873 398154479 /nfs/dbraw/zinc/15/44/79/398154479.db2.gz XWRGXYRPMPQELS-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)ccn1 ZINC000336233879 178018245 /nfs/dbraw/zinc/01/82/45/178018245.db2.gz UVYHBSRGOHPNCJ-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000422906083 398157294 /nfs/dbraw/zinc/15/72/94/398157294.db2.gz UECOTXCTSUZOLA-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000422906083 398157295 /nfs/dbraw/zinc/15/72/95/398157295.db2.gz UECOTXCTSUZOLA-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP Cc1sccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379797948 398168910 /nfs/dbraw/zinc/16/89/10/398168910.db2.gz KZIXEDNRVIMWAZ-TXEJJXNPSA-N 2 1 222.357 1.708 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000336233838 178040445 /nfs/dbraw/zinc/04/04/45/178040445.db2.gz QAEHDWMTWQCKGU-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000336233838 178040450 /nfs/dbraw/zinc/04/04/50/178040450.db2.gz QAEHDWMTWQCKGU-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cnn(C)c1 ZINC000044532716 398178471 /nfs/dbraw/zinc/17/84/71/398178471.db2.gz HXUBFJVZKLIKJE-NEPJUHHUSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000044532716 398178478 /nfs/dbraw/zinc/17/84/78/398178478.db2.gz HXUBFJVZKLIKJE-NEPJUHHUSA-N 2 1 236.363 1.413 20 0 BDADMP FC1(F)C[C@@]12CC[N@@H+](CCn1ccnc1)C2 ZINC000649907507 398180929 /nfs/dbraw/zinc/18/09/29/398180929.db2.gz UAQWNWKNUMJGOJ-SNVBAGLBSA-N 2 1 227.258 1.614 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000379761277 398165038 /nfs/dbraw/zinc/16/50/38/398165038.db2.gz DSOJHEDKXKBNDA-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP CCC(CC)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000169125955 488170994 /nfs/dbraw/zinc/17/09/94/488170994.db2.gz GNXKKLAWUVXWDC-ZYHUDNBSSA-N 2 1 214.353 1.471 20 0 BDADMP Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc[nH+]1 ZINC000274814450 178119945 /nfs/dbraw/zinc/11/99/45/178119945.db2.gz YSVSNVOVMJPPAQ-OCCSQVGLSA-N 2 1 231.343 1.920 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000069724524 398213515 /nfs/dbraw/zinc/21/35/15/398213515.db2.gz FDYCDIQGHIIYFD-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1cn[nH]c1 ZINC000380969872 398215227 /nfs/dbraw/zinc/21/52/27/398215227.db2.gz FGYNNSCZUZBYHS-LBPRGKRZSA-N 2 1 224.352 1.257 20 0 BDADMP Cc1cc(NC[C@@H]2CCCC[NH2+]2)nc(C)[nH+]1 ZINC000044493382 178165190 /nfs/dbraw/zinc/16/51/90/178165190.db2.gz BQVHSSPIEMGUQZ-NSHDSACASA-N 2 1 220.320 1.647 20 0 BDADMP Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000044537568 178166409 /nfs/dbraw/zinc/16/64/09/178166409.db2.gz GCCQOENIACIPHX-LBPRGKRZSA-N 2 1 234.347 1.847 20 0 BDADMP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000044537568 178166411 /nfs/dbraw/zinc/16/64/11/178166411.db2.gz GCCQOENIACIPHX-LBPRGKRZSA-N 2 1 234.347 1.847 20 0 BDADMP Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)on1 ZINC000647880345 398223077 /nfs/dbraw/zinc/22/30/77/398223077.db2.gz KLLUXWKVHGHEBT-NEPJUHHUSA-N 2 1 235.331 1.729 20 0 BDADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)on1 ZINC000647880345 398223080 /nfs/dbraw/zinc/22/30/80/398223080.db2.gz KLLUXWKVHGHEBT-NEPJUHHUSA-N 2 1 235.331 1.729 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@]1(CC)CO ZINC000191895048 361776401 /nfs/dbraw/zinc/77/64/01/361776401.db2.gz ZOHRRTDLSRIREZ-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430764836 398230767 /nfs/dbraw/zinc/23/07/67/398230767.db2.gz UDIVDUDBZVDEGY-SRVKXCTJSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000092630087 398235622 /nfs/dbraw/zinc/23/56/22/398235622.db2.gz WNOFEWCRYPRBHQ-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000380144997 488175391 /nfs/dbraw/zinc/17/53/91/488175391.db2.gz HDYLLEYHSVZEBB-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP c1cc(C[NH2+]CCC[NH+]2CCC2)ccn1 ZINC000576480490 365607510 /nfs/dbraw/zinc/60/75/10/365607510.db2.gz WYIPGSDGZUUUBN-UHFFFAOYSA-N 2 1 205.305 1.267 20 0 BDADMP CC(C)(C)[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000576517735 365615166 /nfs/dbraw/zinc/61/51/66/365615166.db2.gz VFONVLIXJWMFSX-MRVPVSSYSA-N 2 1 238.335 1.844 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000390756815 398247317 /nfs/dbraw/zinc/24/73/17/398247317.db2.gz IIYBACMEANFYOM-NWDGAFQWSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[C@@H]1[NH3+] ZINC000576570200 365625792 /nfs/dbraw/zinc/62/57/92/365625792.db2.gz JGXBYNMARQTHQW-SCZZXKLOSA-N 2 1 231.303 1.131 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000379912572 365640608 /nfs/dbraw/zinc/64/06/08/365640608.db2.gz NTMQMCVTNHJNIH-QWRGUYRKSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]([NH3+])C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000576731814 365672455 /nfs/dbraw/zinc/67/24/55/365672455.db2.gz JCZFRWHJSBJWEF-SECBINFHSA-N 2 1 245.330 1.522 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000386834918 398266285 /nfs/dbraw/zinc/26/62/85/398266285.db2.gz WOUCKRLHLWSFTN-WCQYABFASA-N 2 1 236.363 1.169 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000583329755 342696841 /nfs/dbraw/zinc/69/68/41/342696841.db2.gz ANYQKHIJAVRJHR-GXFFZTMASA-N 2 1 244.342 1.875 20 0 BDADMP CCOC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166565535 361853794 /nfs/dbraw/zinc/85/37/94/361853794.db2.gz DYGUCPCWRHIMJA-LBPRGKRZSA-N 2 1 216.369 1.731 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCOC1 ZINC000166160569 398287531 /nfs/dbraw/zinc/28/75/31/398287531.db2.gz RZJHVOKIWDMQHS-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000040671743 538972365 /nfs/dbraw/zinc/97/23/65/538972365.db2.gz NBVYJSLSTLTTKY-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671743 538972367 /nfs/dbraw/zinc/97/23/67/538972367.db2.gz NBVYJSLSTLTTKY-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP Cc1ccnc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000390554291 539026221 /nfs/dbraw/zinc/02/62/21/539026221.db2.gz PUTMXBHIQNMJBC-RYUDHWBXSA-N 2 1 217.316 1.041 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000390616060 539026697 /nfs/dbraw/zinc/02/66/97/539026697.db2.gz GWWGQQJUPMKQHS-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000390616060 539026698 /nfs/dbraw/zinc/02/66/98/539026698.db2.gz GWWGQQJUPMKQHS-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000389206769 398306374 /nfs/dbraw/zinc/30/63/74/398306374.db2.gz ZWWHCZLTSGVBCP-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000389206769 398306376 /nfs/dbraw/zinc/30/63/76/398306376.db2.gz ZWWHCZLTSGVBCP-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000389206769 398306378 /nfs/dbraw/zinc/30/63/78/398306378.db2.gz ZWWHCZLTSGVBCP-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000389206769 398306381 /nfs/dbraw/zinc/30/63/81/398306381.db2.gz ZWWHCZLTSGVBCP-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000389206769 398306382 /nfs/dbraw/zinc/30/63/82/398306382.db2.gz ZWWHCZLTSGVBCP-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC12CCOCC2 ZINC000683525950 488186290 /nfs/dbraw/zinc/18/62/90/488186290.db2.gz NKKDAKGCFBYUSG-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC12CCOCC2 ZINC000683525950 488186294 /nfs/dbraw/zinc/18/62/94/488186294.db2.gz NKKDAKGCFBYUSG-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC12CCOCC2 ZINC000683525950 488186298 /nfs/dbraw/zinc/18/62/98/488186298.db2.gz NKKDAKGCFBYUSG-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP COCC[N@@H+](C[C@H](C)[NH3+])C1CCCC1 ZINC000380147130 398333436 /nfs/dbraw/zinc/33/34/36/398333436.db2.gz WYNJASZJYNOCMQ-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP C(C1CC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916576 398335171 /nfs/dbraw/zinc/33/51/71/398335171.db2.gz UEOSLVOQZQCYDK-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916059 398335245 /nfs/dbraw/zinc/33/52/45/398335245.db2.gz NZGKLXVHEHVFJR-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP CC[C@@H](C)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313347212 259333652 /nfs/dbraw/zinc/33/36/52/259333652.db2.gz KBKBQKPNLVPRLT-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313347212 259333653 /nfs/dbraw/zinc/33/36/53/259333653.db2.gz KBKBQKPNLVPRLT-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CCc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313357341 259333820 /nfs/dbraw/zinc/33/38/20/259333820.db2.gz RFIXIQXAQZVKSN-OAHLLOKOSA-N 2 1 248.370 1.799 20 0 BDADMP CCc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313357341 259333822 /nfs/dbraw/zinc/33/38/22/259333822.db2.gz RFIXIQXAQZVKSN-OAHLLOKOSA-N 2 1 248.370 1.799 20 0 BDADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223286887 259333993 /nfs/dbraw/zinc/33/39/93/259333993.db2.gz KTRHFMIGESMPFM-YNEHKIRRSA-N 2 1 230.396 1.713 20 0 BDADMP COc1ccc(CC[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000019933238 187206092 /nfs/dbraw/zinc/20/60/92/187206092.db2.gz BSZQSCQHAHTSNN-CYBMUJFWSA-N 2 1 234.343 1.661 20 0 BDADMP COc1ccc(CC[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000019933238 187206094 /nfs/dbraw/zinc/20/60/94/187206094.db2.gz BSZQSCQHAHTSNN-CYBMUJFWSA-N 2 1 234.343 1.661 20 0 BDADMP COC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678079369 488191884 /nfs/dbraw/zinc/19/18/84/488191884.db2.gz VUFSYBMGWXZILN-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353687441 187209509 /nfs/dbraw/zinc/20/95/09/187209509.db2.gz ZYHZSWBNAJXMPT-QSLWVIQJSA-N 2 1 240.391 1.608 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000602719990 349712238 /nfs/dbraw/zinc/71/22/38/349712238.db2.gz VPZIVCVTHGFNGK-FIQHERPVSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000602719990 349712240 /nfs/dbraw/zinc/71/22/40/349712240.db2.gz VPZIVCVTHGFNGK-FIQHERPVSA-N 2 1 240.347 1.010 20 0 BDADMP CN1CCO[C@H](CSC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000518183724 259338164 /nfs/dbraw/zinc/33/81/64/259338164.db2.gz LMADOBUQPMJMSO-NEPJUHHUSA-N 2 1 244.404 1.002 20 0 BDADMP C[N@@H+]1CC[C@@H](CSC[C@@H]2C[NH+](C)CCO2)C1 ZINC000518183724 259338167 /nfs/dbraw/zinc/33/81/67/259338167.db2.gz LMADOBUQPMJMSO-NEPJUHHUSA-N 2 1 244.404 1.002 20 0 BDADMP C[N@H+]1CC[C@@H](CSC[C@@H]2C[NH+](C)CCO2)C1 ZINC000518183724 259338168 /nfs/dbraw/zinc/33/81/68/259338168.db2.gz LMADOBUQPMJMSO-NEPJUHHUSA-N 2 1 244.404 1.002 20 0 BDADMP C[NH+]1CC[C@@H](CSC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000518183724 259338170 /nfs/dbraw/zinc/33/81/70/259338170.db2.gz LMADOBUQPMJMSO-NEPJUHHUSA-N 2 1 244.404 1.002 20 0 BDADMP C[NH+]1CC[C@@H](CSC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000518183724 259338172 /nfs/dbraw/zinc/33/81/72/259338172.db2.gz LMADOBUQPMJMSO-NEPJUHHUSA-N 2 1 244.404 1.002 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000361267156 187217752 /nfs/dbraw/zinc/21/77/52/187217752.db2.gz QRMRPINTRHCHFZ-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP Cc1nc(N[C@@H]2CCC[NH2+]C2)c(C)c(C)[nH+]1 ZINC000045955255 343012844 /nfs/dbraw/zinc/01/28/44/343012844.db2.gz HCIIJZKJOCWZRF-LLVKDONJSA-N 2 1 220.320 1.566 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC12CCC2 ZINC000309499875 259343524 /nfs/dbraw/zinc/34/35/24/259343524.db2.gz LGOCXHXKOSRFOV-LBPRGKRZSA-N 2 1 219.332 1.885 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1CCCC1 ZINC000309199364 259342364 /nfs/dbraw/zinc/34/23/64/259342364.db2.gz BFCFSLGUNSCKPT-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1CCCC1 ZINC000309199364 259342366 /nfs/dbraw/zinc/34/23/66/259342366.db2.gz BFCFSLGUNSCKPT-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1CCCC1 ZINC000309199364 259342368 /nfs/dbraw/zinc/34/23/68/259342368.db2.gz BFCFSLGUNSCKPT-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1CCCC1 ZINC000309199364 259342370 /nfs/dbraw/zinc/34/23/70/259342370.db2.gz BFCFSLGUNSCKPT-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@H+](C[C@@H](O)Cn1cc[nH+]c1C1CC1)C1CC1 ZINC000634650491 343061189 /nfs/dbraw/zinc/06/11/89/343061189.db2.gz MZLOYDOVXPNJSZ-GFCCVEGCSA-N 2 1 235.331 1.216 20 0 BDADMP C[N@@H+](C[C@@H](O)Cn1cc[nH+]c1C1CC1)C1CC1 ZINC000634650491 343061191 /nfs/dbraw/zinc/06/11/91/343061191.db2.gz MZLOYDOVXPNJSZ-GFCCVEGCSA-N 2 1 235.331 1.216 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccncc1 ZINC000576834443 365699531 /nfs/dbraw/zinc/69/95/31/365699531.db2.gz LCCSOBDYMVZVSV-JSGCOSHPSA-N 2 1 233.359 1.826 20 0 BDADMP C(C1CCCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335308586 187231422 /nfs/dbraw/zinc/23/14/22/187231422.db2.gz LYPZKUHXQLLJFD-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000576864666 365706689 /nfs/dbraw/zinc/70/66/89/365706689.db2.gz RKUQKOQRGXYJNP-JTQLQIEISA-N 2 1 231.303 1.133 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000576864666 365706694 /nfs/dbraw/zinc/70/66/94/365706694.db2.gz RKUQKOQRGXYJNP-JTQLQIEISA-N 2 1 231.303 1.133 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCOC1 ZINC000037141036 187230251 /nfs/dbraw/zinc/23/02/51/187230251.db2.gz QIRMSJFLXWNNEV-LLVKDONJSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000082626883 362070650 /nfs/dbraw/zinc/07/06/50/362070650.db2.gz QBUCPPDTHQYPIF-UHFFFAOYSA-N 2 1 233.340 1.892 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000562956453 323035120 /nfs/dbraw/zinc/03/51/20/323035120.db2.gz WAIIYYDCWCGSOO-JTQLQIEISA-N 2 1 236.363 1.744 20 0 BDADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000634679502 343143531 /nfs/dbraw/zinc/14/35/31/343143531.db2.gz WXBDQRZPTDBPEM-OLZOCXBDSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000131516236 343183834 /nfs/dbraw/zinc/18/38/34/343183834.db2.gz HUFLUVPXIPNYGN-RISCZKNCSA-N 2 1 246.354 1.933 20 0 BDADMP CC1CC[NH+](CCN[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093215419 343151340 /nfs/dbraw/zinc/15/13/40/343151340.db2.gz QPQRYNBTQJTFQN-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP COC[C@@H](C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000379927848 365738857 /nfs/dbraw/zinc/73/88/57/365738857.db2.gz MNXCMHBUXCOMOQ-NSHDSACASA-N 2 1 212.337 1.120 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1ccccc1 ZINC000066141222 136276067 /nfs/dbraw/zinc/27/60/67/136276067.db2.gz PVTMGPGRCNFBLK-UHFFFAOYSA-N 2 1 206.333 1.770 20 0 BDADMP Cc1cc(NCC[C@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC000082487658 136276769 /nfs/dbraw/zinc/27/67/69/136276769.db2.gz XQQVSWILDZBQIF-LLVKDONJSA-N 2 1 220.320 1.505 20 0 BDADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000087472139 136281568 /nfs/dbraw/zinc/28/15/68/136281568.db2.gz XRSMBHXDWMTEIV-NSHDSACASA-N 2 1 207.321 1.684 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000087472139 136281569 /nfs/dbraw/zinc/28/15/69/136281569.db2.gz XRSMBHXDWMTEIV-NSHDSACASA-N 2 1 207.321 1.684 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+]2CC3CCC2(C[NH3+])CC3)O1 ZINC000634687869 343245064 /nfs/dbraw/zinc/24/50/64/343245064.db2.gz BMXCLWUDNCMBDQ-ZIHBUVQPSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC3CCC2(C[NH3+])CC3)O1 ZINC000634687869 343245067 /nfs/dbraw/zinc/24/50/67/343245067.db2.gz BMXCLWUDNCMBDQ-ZIHBUVQPSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)O1 ZINC000634688272 343246565 /nfs/dbraw/zinc/24/65/65/343246565.db2.gz NMJDQOAJACJEDG-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000348757022 136297797 /nfs/dbraw/zinc/29/77/97/136297797.db2.gz SLPZSTJSJRYDPJ-DGCLKSJQSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000348757022 136297798 /nfs/dbraw/zinc/29/77/98/136297798.db2.gz SLPZSTJSJRYDPJ-DGCLKSJQSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000348757022 136297799 /nfs/dbraw/zinc/29/77/99/136297799.db2.gz SLPZSTJSJRYDPJ-DGCLKSJQSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000335636115 136300830 /nfs/dbraw/zinc/30/08/30/136300830.db2.gz DFMFNMINTOGLIK-ZWNOBZJWSA-N 2 1 219.332 1.620 20 0 BDADMP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)no1 ZINC000335675652 136318009 /nfs/dbraw/zinc/31/80/09/136318009.db2.gz CDEYNYWYSUPFBZ-GFCCVEGCSA-N 2 1 235.331 1.496 20 0 BDADMP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)no1 ZINC000335675653 136318167 /nfs/dbraw/zinc/31/81/67/136318167.db2.gz CDEYNYWYSUPFBZ-LBPRGKRZSA-N 2 1 235.331 1.496 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000335641597 136308517 /nfs/dbraw/zinc/30/85/17/136308517.db2.gz UFVFNBPLLQAMDR-KWQFWETISA-N 2 1 239.388 1.990 20 0 BDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166217376 136309887 /nfs/dbraw/zinc/30/98/87/136309887.db2.gz PXALRNXZOUZEDC-MWLCHTKSSA-N 2 1 239.388 1.663 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000166220523 136310558 /nfs/dbraw/zinc/31/05/58/136310558.db2.gz KYMIKIXLQDAFNU-RKDXNWHRSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000166220523 136310559 /nfs/dbraw/zinc/31/05/59/136310559.db2.gz KYMIKIXLQDAFNU-RKDXNWHRSA-N 2 1 240.269 1.234 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000349153447 136327055 /nfs/dbraw/zinc/32/70/55/136327055.db2.gz SGRKJOWXVSUKMH-QWHCGFSZSA-N 2 1 249.358 1.636 20 0 BDADMP C[NH+](C)C1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000335699008 136328431 /nfs/dbraw/zinc/32/84/31/136328431.db2.gz HKSXIJPLIRXXOK-UHFFFAOYSA-N 3 1 239.407 1.543 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)CC(C)(C)C[NH3+] ZINC000082545354 343447048 /nfs/dbraw/zinc/44/70/48/343447048.db2.gz HCIPTUWNFSNUPE-LLVKDONJSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000353969705 136357053 /nfs/dbraw/zinc/35/70/53/136357053.db2.gz CFCYDHFKFHPFDI-DGAVXFQQSA-N 2 1 240.391 1.589 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000040773251 187264499 /nfs/dbraw/zinc/26/44/99/187264499.db2.gz UJSBAWCBQHPUEI-LBPRGKRZSA-N 2 1 214.353 1.077 20 0 BDADMP c1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)co1 ZINC000580564291 365781184 /nfs/dbraw/zinc/78/11/84/365781184.db2.gz RCQZYFHBEXVBRO-PHIMTYICSA-N 2 1 221.304 1.106 20 0 BDADMP CCn1ccnc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000580564401 365781960 /nfs/dbraw/zinc/78/19/60/365781960.db2.gz XQSQKHFDNFUMLO-VHSXEESVSA-N 2 1 210.325 1.118 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)CCC[NH2+]C ZINC000086188488 343613192 /nfs/dbraw/zinc/61/31/92/343613192.db2.gz SSGMTLAPFKISEP-LBPRGKRZSA-N 2 1 213.369 1.012 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000379995832 365786787 /nfs/dbraw/zinc/78/67/87/365786787.db2.gz JHAVUNSGZIOPJE-GHMZBOCLSA-N 2 1 214.328 1.951 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC)C2)CC1 ZINC000624297374 343674565 /nfs/dbraw/zinc/67/45/65/343674565.db2.gz YICHUAGQQWWWNY-HAQNSBGRSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000570291277 323055356 /nfs/dbraw/zinc/05/53/56/323055356.db2.gz JIWLMQCGAQDLCN-OLZOCXBDSA-N 2 1 237.347 1.510 20 0 BDADMP c1nc2c([nH]1)C[N@@H+]([C@H]1C=CCCC1)CC2 ZINC000625436228 343733902 /nfs/dbraw/zinc/73/39/02/343733902.db2.gz DHGFAHJFURQXGT-JTQLQIEISA-N 2 1 203.289 1.877 20 0 BDADMP c1nc2c([nH]1)CN([C@H]1C=CCCC1)CC2 ZINC000625436228 343733904 /nfs/dbraw/zinc/73/39/04/343733904.db2.gz DHGFAHJFURQXGT-JTQLQIEISA-N 2 1 203.289 1.877 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000313023049 343744911 /nfs/dbraw/zinc/74/49/11/343744911.db2.gz CEWNYOQPFURKIS-GFCCVEGCSA-N 2 1 226.364 1.485 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000052178340 187271400 /nfs/dbraw/zinc/27/14/00/187271400.db2.gz KLIPLPMQXKHSFU-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP OCC1([NH2+]CC2CC2)CC[NH+](C2CCC2)CC1 ZINC000584116513 343761046 /nfs/dbraw/zinc/76/10/46/343761046.db2.gz BIUXACFJMHNJNK-UHFFFAOYSA-N 2 1 238.375 1.365 20 0 BDADMP c1cncc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)c1 ZINC000093224276 343785001 /nfs/dbraw/zinc/78/50/01/343785001.db2.gz KZFZKZBTLDRSOP-CQSZACIVSA-N 2 1 231.343 1.971 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000179243085 346977309 /nfs/dbraw/zinc/97/73/09/346977309.db2.gz WSHGXOGVRNIDLX-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC000179243085 346977313 /nfs/dbraw/zinc/97/73/13/346977313.db2.gz WSHGXOGVRNIDLX-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC000179243085 346977316 /nfs/dbraw/zinc/97/73/16/346977316.db2.gz WSHGXOGVRNIDLX-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062943128 187273622 /nfs/dbraw/zinc/27/36/22/187273622.db2.gz UQMUUDUJSCUBDY-UONOGXRCSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC(C)(C)C ZINC000381039860 343868024 /nfs/dbraw/zinc/86/80/24/343868024.db2.gz FWCVOEOBLMPOIG-GFCCVEGCSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)CC(C)(C)C ZINC000381039860 343868025 /nfs/dbraw/zinc/86/80/25/343868025.db2.gz FWCVOEOBLMPOIG-GFCCVEGCSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CC(C)(C)C ZINC000381039860 343868028 /nfs/dbraw/zinc/86/80/28/343868028.db2.gz FWCVOEOBLMPOIG-GFCCVEGCSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CC(C)(C)C ZINC000381039860 343868031 /nfs/dbraw/zinc/86/80/31/343868031.db2.gz FWCVOEOBLMPOIG-GFCCVEGCSA-N 2 1 230.396 1.667 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccn1 ZINC000621775086 343898231 /nfs/dbraw/zinc/89/82/31/343898231.db2.gz FXCFZMPUZLEJBK-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCC12CC2)C1CC1 ZINC000634724001 343922186 /nfs/dbraw/zinc/92/21/86/343922186.db2.gz HOACXQJODSMPOV-STQMWFEESA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCC12CC2)C1CC1 ZINC000634724001 343922189 /nfs/dbraw/zinc/92/21/89/343922189.db2.gz HOACXQJODSMPOV-STQMWFEESA-N 2 1 238.375 1.364 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCC12CC2)C1CC1 ZINC000634723999 343922217 /nfs/dbraw/zinc/92/22/17/343922217.db2.gz HOACXQJODSMPOV-OLZOCXBDSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCC12CC2)C1CC1 ZINC000634723999 343922219 /nfs/dbraw/zinc/92/22/19/343922219.db2.gz HOACXQJODSMPOV-OLZOCXBDSA-N 2 1 238.375 1.364 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1F ZINC000050247418 187357240 /nfs/dbraw/zinc/35/72/40/187357240.db2.gz FAFYWFRUBXGWLW-LLVKDONJSA-N 2 1 238.306 1.615 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1F ZINC000050247418 187357241 /nfs/dbraw/zinc/35/72/41/187357241.db2.gz FAFYWFRUBXGWLW-LLVKDONJSA-N 2 1 238.306 1.615 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)CC1(C)COC1 ZINC000625792323 344076206 /nfs/dbraw/zinc/07/62/06/344076206.db2.gz VKNUAVFEYSOFSG-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1O ZINC000050245259 187357919 /nfs/dbraw/zinc/35/79/19/187357919.db2.gz RXIJCIBWNMFHGB-LLVKDONJSA-N 2 1 236.315 1.181 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1O ZINC000050245259 187357921 /nfs/dbraw/zinc/35/79/21/187357921.db2.gz RXIJCIBWNMFHGB-LLVKDONJSA-N 2 1 236.315 1.181 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CCC1)C(C)C ZINC000572777680 323068217 /nfs/dbraw/zinc/06/82/17/323068217.db2.gz ARTYFAKHGSDTNG-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CCC1)C(C)C ZINC000572777680 323068218 /nfs/dbraw/zinc/06/82/18/323068218.db2.gz ARTYFAKHGSDTNG-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC1CCC1)C(C)C ZINC000572777680 323068219 /nfs/dbraw/zinc/06/82/19/323068219.db2.gz ARTYFAKHGSDTNG-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC1CCC1)C(C)C ZINC000572777680 323068220 /nfs/dbraw/zinc/06/82/20/323068220.db2.gz ARTYFAKHGSDTNG-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nccs1 ZINC000387721971 347042416 /nfs/dbraw/zinc/04/24/16/347042416.db2.gz NAZBXMWWHJTAIJ-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nccs1 ZINC000387721971 347042420 /nfs/dbraw/zinc/04/24/20/347042420.db2.gz NAZBXMWWHJTAIJ-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780186 344316301 /nfs/dbraw/zinc/31/63/01/344316301.db2.gz WCJDVZDIEFHVTB-BETUJISGSA-N 2 1 235.331 1.160 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780186 344316302 /nfs/dbraw/zinc/31/63/02/344316302.db2.gz WCJDVZDIEFHVTB-BETUJISGSA-N 2 1 235.331 1.160 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCC(=O)OC)C1 ZINC000600700657 344359547 /nfs/dbraw/zinc/35/95/47/344359547.db2.gz DOCIJYCCAYWIQJ-LBPRGKRZSA-N 2 1 242.363 1.261 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000600708212 344361237 /nfs/dbraw/zinc/36/12/37/344361237.db2.gz DOAJRFRZNZYDBU-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CO)CC(F)F)CC1 ZINC000309636331 344422608 /nfs/dbraw/zinc/42/26/08/344422608.db2.gz JNMCNJLKFGUFSU-SNVBAGLBSA-N 2 1 236.306 1.076 20 0 BDADMP CCSCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750951 344368300 /nfs/dbraw/zinc/36/83/00/344368300.db2.gz YHRSJMUKGATCJZ-TXEJJXNPSA-N 2 1 228.405 1.671 20 0 BDADMP CC[NH+]1CCN([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000107369464 347050674 /nfs/dbraw/zinc/05/06/74/347050674.db2.gz VTEORMQGTZZPJA-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP Cc1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)nc(C)[nH+]1 ZINC000634813070 344397489 /nfs/dbraw/zinc/39/74/89/344397489.db2.gz YJGQXJDGQXQPQZ-STQMWFEESA-N 2 1 246.358 1.672 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000238332873 344402910 /nfs/dbraw/zinc/40/29/10/344402910.db2.gz QACKATOMSYYYRZ-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP COCCCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000238332873 344402914 /nfs/dbraw/zinc/40/29/14/344402914.db2.gz QACKATOMSYYYRZ-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CC[N@H+]1CCC[C@H](CNCc2cocn2)C1 ZINC000309678136 344435444 /nfs/dbraw/zinc/43/54/44/344435444.db2.gz YMLPWGMCRIRXAR-LLVKDONJSA-N 2 1 223.320 1.496 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)(C)C ZINC000380971619 344462430 /nfs/dbraw/zinc/46/24/30/344462430.db2.gz AQRNUSYIZXOSAP-NWDGAFQWSA-N 2 1 230.396 1.665 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)(C)C ZINC000380971619 344462433 /nfs/dbraw/zinc/46/24/33/344462433.db2.gz AQRNUSYIZXOSAP-NWDGAFQWSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000380971619 344462436 /nfs/dbraw/zinc/46/24/36/344462436.db2.gz AQRNUSYIZXOSAP-NWDGAFQWSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000380971619 344462438 /nfs/dbraw/zinc/46/24/38/344462438.db2.gz AQRNUSYIZXOSAP-NWDGAFQWSA-N 2 1 230.396 1.665 20 0 BDADMP C[N@H+](Cc1cscn1)CC1CC[NH2+]CC1 ZINC000042869405 344469322 /nfs/dbraw/zinc/46/93/22/344469322.db2.gz FKVHEJPXZGSTJV-UHFFFAOYSA-N 2 1 225.361 1.575 20 0 BDADMP CN(C)c1nccc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000085431541 344532385 /nfs/dbraw/zinc/53/23/85/344532385.db2.gz JQSYVPCBQKQYEM-LLVKDONJSA-N 2 1 249.362 1.296 20 0 BDADMP CN(C)c1nc(NC[C@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000085431541 344532386 /nfs/dbraw/zinc/53/23/86/344532386.db2.gz JQSYVPCBQKQYEM-LLVKDONJSA-N 2 1 249.362 1.296 20 0 BDADMP CN(C)c1nc(NC[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000085431541 344532388 /nfs/dbraw/zinc/53/23/88/344532388.db2.gz JQSYVPCBQKQYEM-LLVKDONJSA-N 2 1 249.362 1.296 20 0 BDADMP C[N@@H+](CCN1CC[NH2+]CC1)C1CCCCCC1 ZINC000037632045 344555264 /nfs/dbraw/zinc/55/52/64/344555264.db2.gz ORTAQGMLMUHDOO-UHFFFAOYSA-N 2 1 239.407 1.546 20 0 BDADMP CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC000116396731 344728595 /nfs/dbraw/zinc/72/85/95/344728595.db2.gz UYFUTWBBXRCUBH-MNOVXSKESA-N 2 1 243.395 1.206 20 0 BDADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1nccs1 ZINC000387522654 344696099 /nfs/dbraw/zinc/69/60/99/344696099.db2.gz OQLXHGCLEQVTMT-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1nccs1 ZINC000387522654 344696101 /nfs/dbraw/zinc/69/61/01/344696101.db2.gz OQLXHGCLEQVTMT-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834812 344792941 /nfs/dbraw/zinc/79/29/41/344792941.db2.gz PLGBROANGWLKFG-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000135645579 344833196 /nfs/dbraw/zinc/83/31/96/344833196.db2.gz YJNNOESGZLTRKJ-ZIAGYGMSSA-N 2 1 240.391 1.754 20 0 BDADMP Cc1c[nH]c(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000628163630 344866418 /nfs/dbraw/zinc/86/64/18/344866418.db2.gz LHGJKZOUFVROEO-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP Cc1c[nH]c(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000628163630 344866422 /nfs/dbraw/zinc/86/64/22/344866422.db2.gz LHGJKZOUFVROEO-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310884623 344888823 /nfs/dbraw/zinc/88/88/23/344888823.db2.gz SFELLTXUXVPWJZ-BETUJISGSA-N 2 1 249.358 1.723 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000516651729 323081307 /nfs/dbraw/zinc/08/13/07/323081307.db2.gz KIEHOFRYIRPGNF-CYBMUJFWSA-N 3 1 225.380 1.047 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000309025124 323081752 /nfs/dbraw/zinc/08/17/52/323081752.db2.gz XMBYGWPOENSTMT-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000309025124 323081753 /nfs/dbraw/zinc/08/17/53/323081753.db2.gz XMBYGWPOENSTMT-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000309025124 323081754 /nfs/dbraw/zinc/08/17/54/323081754.db2.gz XMBYGWPOENSTMT-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000309025124 323081755 /nfs/dbraw/zinc/08/17/55/323081755.db2.gz XMBYGWPOENSTMT-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP c1c[nH+]c([C@H]2CCCN(CC34CC(C3)C[NH2+]4)C2)[nH]1 ZINC000634992381 345180248 /nfs/dbraw/zinc/18/02/48/345180248.db2.gz NBKKWIRVOGWYLD-LXVYMNJGSA-N 2 1 246.358 1.341 20 0 BDADMP Cc1noc(C)c1C[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995393 345184157 /nfs/dbraw/zinc/18/41/57/345184157.db2.gz CPXXQIZIRDHARU-VOALNZTBSA-N 2 1 249.358 1.564 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000634995884 345186186 /nfs/dbraw/zinc/18/61/86/345186186.db2.gz RTUXTBNTRHENRQ-QWHCGFSZSA-N 3 1 239.407 1.482 20 0 BDADMP Cc1ccc(CCC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000634998099 345197363 /nfs/dbraw/zinc/19/73/63/345197363.db2.gz APYCSGJCLUQZTL-IUODEOHRSA-N 2 1 247.386 1.849 20 0 BDADMP COc1ccsc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999514 345200176 /nfs/dbraw/zinc/20/01/76/345200176.db2.gz VUSOTKALISAHFL-NXEZZACHSA-N 2 1 240.372 1.783 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1c[nH+]ccc1N ZINC000635005460 345209096 /nfs/dbraw/zinc/20/90/96/345209096.db2.gz NQCLSHMAQDKQTI-DNJQJEMRSA-N 2 1 235.331 1.711 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCCN1 ZINC000635005875 345209910 /nfs/dbraw/zinc/20/99/10/345209910.db2.gz PSVDRQRLRNHGAG-XDQVBPFNSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCCCN1 ZINC000635005870 345210067 /nfs/dbraw/zinc/21/00/67/345210067.db2.gz PSVDRQRLRNHGAG-AAVRWANBSA-N 2 1 239.407 1.624 20 0 BDADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)[NH3+] ZINC000082241808 345497745 /nfs/dbraw/zinc/49/77/45/345497745.db2.gz MBXASHPPIODBLK-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309100726 187308581 /nfs/dbraw/zinc/30/85/81/187308581.db2.gz FOSWSSSKCRLGAS-WPRPVWTQSA-N 2 1 218.291 1.714 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309100726 187308583 /nfs/dbraw/zinc/30/85/83/187308583.db2.gz FOSWSSSKCRLGAS-WPRPVWTQSA-N 2 1 218.291 1.714 20 0 BDADMP CC(C)C1CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000309364919 187308838 /nfs/dbraw/zinc/30/88/38/187308838.db2.gz PIHHEKPXLGZRPO-WXRRBKDZSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)C1CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000309364919 187308840 /nfs/dbraw/zinc/30/88/40/187308840.db2.gz PIHHEKPXLGZRPO-WXRRBKDZSA-N 2 1 226.364 1.077 20 0 BDADMP Nc1cnccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000641708806 362617140 /nfs/dbraw/zinc/61/71/40/362617140.db2.gz VXPCFSMKDQPMCG-UHFFFAOYSA-N 2 1 248.374 1.629 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082687086 345679729 /nfs/dbraw/zinc/67/97/29/345679729.db2.gz GQAUYCCWDWZNAR-WCFLWFBJSA-N 2 1 217.316 1.294 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082687086 345679732 /nfs/dbraw/zinc/67/97/32/345679732.db2.gz GQAUYCCWDWZNAR-WCFLWFBJSA-N 2 1 217.316 1.294 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000159979903 345769035 /nfs/dbraw/zinc/76/90/35/345769035.db2.gz KIQNOLREJAFVAF-NWDGAFQWSA-N 2 1 224.348 1.118 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159984871 345770733 /nfs/dbraw/zinc/77/07/33/345770733.db2.gz UJDVILIIVPKLJE-FRRDWIJNSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336745830 187309771 /nfs/dbraw/zinc/30/97/71/187309771.db2.gz BKCGJVVVRXPLCB-FIQHERPVSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336745830 187309773 /nfs/dbraw/zinc/30/97/73/187309773.db2.gz BKCGJVVVRXPLCB-FIQHERPVSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)C[C@@H](N)c1noc(C2(N)CC2)n1 ZINC000336752223 187310786 /nfs/dbraw/zinc/31/07/86/187310786.db2.gz VPNLLYDQINCBCC-SSDOTTSWSA-N 2 1 210.281 1.063 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000250346115 537920826 /nfs/dbraw/zinc/92/08/26/537920826.db2.gz QLNCLPXQOMMNJI-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C(CN1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000094460856 187361281 /nfs/dbraw/zinc/36/12/81/187361281.db2.gz RPGQEPPOLHEAMO-UONOGXRCSA-N 2 1 237.391 1.156 20 0 BDADMP C([C@H]1CCOC1)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021695 187361359 /nfs/dbraw/zinc/36/13/59/187361359.db2.gz IAEAYJMHYKSXOK-CYBMUJFWSA-N 2 1 238.375 1.487 20 0 BDADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000019834752 187362532 /nfs/dbraw/zinc/36/25/32/187362532.db2.gz OZPGUAXXBXMNHZ-UHFFFAOYSA-N 2 1 208.305 1.476 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000381511931 346217796 /nfs/dbraw/zinc/21/77/96/346217796.db2.gz RIHWXCODHACHMC-XQQFMLRXSA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000381511931 346217798 /nfs/dbraw/zinc/21/77/98/346217798.db2.gz RIHWXCODHACHMC-XQQFMLRXSA-N 2 1 228.380 1.872 20 0 BDADMP CSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309084463 349947339 /nfs/dbraw/zinc/94/73/39/349947339.db2.gz VKPDNIXMMFDQBW-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000624110466 346265949 /nfs/dbraw/zinc/26/59/49/346265949.db2.gz ZKEUZGOPVMAZDY-MGPQQGTHSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000624110466 346265951 /nfs/dbraw/zinc/26/59/51/346265951.db2.gz ZKEUZGOPVMAZDY-MGPQQGTHSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313396568 179074965 /nfs/dbraw/zinc/07/49/65/179074965.db2.gz QDKZWZKLDPLVQZ-AWEZNQCLSA-N 2 1 234.343 1.545 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1CCc1c[nH+]cn1C ZINC000641797210 362743259 /nfs/dbraw/zinc/74/32/59/362743259.db2.gz XWVQTRFLYPGPGK-YPMHNXCESA-N 2 1 236.363 1.164 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641797614 362744306 /nfs/dbraw/zinc/74/43/06/362744306.db2.gz DLHCSSIWFIUFHZ-DGCLKSJQSA-N 2 1 236.363 1.022 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000641800232 362750281 /nfs/dbraw/zinc/75/02/81/362750281.db2.gz AAUISFHFVQCAQN-GFCCVEGCSA-N 2 1 225.380 1.155 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801710 362756963 /nfs/dbraw/zinc/75/69/63/362756963.db2.gz FBNYFUNSDSZTMF-NWDGAFQWSA-N 2 1 237.347 1.761 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2cncc(Cl)c2)C[C@@H]1[NH3+] ZINC000641801969 362758388 /nfs/dbraw/zinc/75/83/88/362758388.db2.gz WPUBRBHCJNIEAK-WDEREUQCSA-N 2 1 239.750 1.950 20 0 BDADMP CCSCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000158568282 346577811 /nfs/dbraw/zinc/57/78/11/346577811.db2.gz LDOHIYUXQFNKMN-JTQLQIEISA-N 2 1 202.367 1.553 20 0 BDADMP CCSCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000158568282 346577814 /nfs/dbraw/zinc/57/78/14/346577814.db2.gz LDOHIYUXQFNKMN-JTQLQIEISA-N 2 1 202.367 1.553 20 0 BDADMP Cc1cccc(N2CCC[N@H+](C)CC2)n1 ZINC000156911581 179121890 /nfs/dbraw/zinc/12/18/90/179121890.db2.gz PVJLTIBDQXMQEO-UHFFFAOYSA-N 2 1 205.305 1.532 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H](C)COC ZINC000187646117 346593988 /nfs/dbraw/zinc/59/39/88/346593988.db2.gz RLYDQXSYGBAYHX-VXGBXAGGSA-N 2 1 216.369 1.589 20 0 BDADMP C[C@@H]1SCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000158589676 346606552 /nfs/dbraw/zinc/60/65/52/346606552.db2.gz KLYSPFIISZCWLJ-QWRGUYRKSA-N 2 1 228.405 1.812 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000187865682 346635643 /nfs/dbraw/zinc/63/56/43/346635643.db2.gz RDRKDGINXGQPTI-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH+](C)C)[C@@H](C)C1 ZINC000345237797 365836715 /nfs/dbraw/zinc/83/67/15/365836715.db2.gz QQFMOCPIFYZJDS-STQMWFEESA-N 2 1 241.423 1.647 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C=CCCC1)C1CC1 ZINC000562991448 346718424 /nfs/dbraw/zinc/71/84/24/346718424.db2.gz OSBCUJZMHGJAFR-DGCLKSJQSA-N 2 1 224.348 1.140 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C=CCCC1)C1CC1 ZINC000562991448 346718425 /nfs/dbraw/zinc/71/84/25/346718425.db2.gz OSBCUJZMHGJAFR-DGCLKSJQSA-N 2 1 224.348 1.140 20 0 BDADMP CC[N@H+](CC(N)=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999423 346761386 /nfs/dbraw/zinc/76/13/86/346761386.db2.gz HDWNPBHNMZCGLW-UHFFFAOYSA-N 2 1 249.358 1.055 20 0 BDADMP CC[N@@H+](CC(N)=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999423 346761388 /nfs/dbraw/zinc/76/13/88/346761388.db2.gz HDWNPBHNMZCGLW-UHFFFAOYSA-N 2 1 249.358 1.055 20 0 BDADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)CN(C)CC ZINC000380087974 365870041 /nfs/dbraw/zinc/87/00/41/365870041.db2.gz UETPJJKNFDXQNF-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000380087974 365870044 /nfs/dbraw/zinc/87/00/44/365870044.db2.gz UETPJJKNFDXQNF-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000380087974 365870048 /nfs/dbraw/zinc/87/00/48/365870048.db2.gz UETPJJKNFDXQNF-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000380087974 365870051 /nfs/dbraw/zinc/87/00/51/365870051.db2.gz UETPJJKNFDXQNF-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000380087974 365870053 /nfs/dbraw/zinc/87/00/53/365870053.db2.gz UETPJJKNFDXQNF-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@H](CO)C2)CC[NH2+]1 ZINC000622004395 370655904 /nfs/dbraw/zinc/65/59/04/370655904.db2.gz OBCVKMZFSRDONT-DGAVXFQQSA-N 2 1 240.391 1.325 20 0 BDADMP Cc1nc(C[NH+]2CCC(CC[NH3+])CC2)oc1C ZINC000070188426 349975635 /nfs/dbraw/zinc/97/56/35/349975635.db2.gz DAOPBXNTYCDPOQ-UHFFFAOYSA-N 2 1 237.347 1.852 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@H+](CCc2cn[nH]c2)C1 ZINC000641824655 362774222 /nfs/dbraw/zinc/77/42/22/362774222.db2.gz WPAIVGVSPBWREI-GFCCVEGCSA-N 2 1 222.336 1.156 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000641824655 362774224 /nfs/dbraw/zinc/77/42/24/362774224.db2.gz WPAIVGVSPBWREI-GFCCVEGCSA-N 2 1 222.336 1.156 20 0 BDADMP CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310427761 347282008 /nfs/dbraw/zinc/28/20/08/347282008.db2.gz RYZKLETVJQYVNK-SCRDCRAPSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310427761 347282014 /nfs/dbraw/zinc/28/20/14/347282014.db2.gz RYZKLETVJQYVNK-SCRDCRAPSA-N 2 1 242.407 1.856 20 0 BDADMP c1cnn(CCCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000591373867 347649860 /nfs/dbraw/zinc/64/98/60/347649860.db2.gz HBHUNXIJXFGNDX-OKILXGFUSA-N 2 1 248.374 1.205 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000252841862 347611925 /nfs/dbraw/zinc/61/19/25/347611925.db2.gz CJBOWHNMVTVDFL-IHRRRGAJSA-N 2 1 248.374 1.462 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCF ZINC000308458244 347669666 /nfs/dbraw/zinc/66/96/66/347669666.db2.gz FMBDFVUGSULKIB-QWRGUYRKSA-N 2 1 202.317 1.938 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000082545724 347800664 /nfs/dbraw/zinc/80/06/64/347800664.db2.gz OZTUSJLDRGSXEU-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000577377326 365929584 /nfs/dbraw/zinc/92/95/84/365929584.db2.gz HHOIZTYVNZRPTR-UHFFFAOYSA-N 3 1 241.423 1.648 20 0 BDADMP C[NH2+]CCCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000577377326 365929589 /nfs/dbraw/zinc/92/95/89/365929589.db2.gz HHOIZTYVNZRPTR-UHFFFAOYSA-N 2 1 241.423 1.648 20 0 BDADMP C[NH2+]CCCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000577377326 365929593 /nfs/dbraw/zinc/92/95/93/365929593.db2.gz HHOIZTYVNZRPTR-UHFFFAOYSA-N 2 1 241.423 1.648 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000305064674 323167001 /nfs/dbraw/zinc/16/70/01/323167001.db2.gz HMNYCHOQBYGULE-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000305064674 323167002 /nfs/dbraw/zinc/16/70/02/323167002.db2.gz HMNYCHOQBYGULE-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305064674 323167003 /nfs/dbraw/zinc/16/70/03/323167003.db2.gz HMNYCHOQBYGULE-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000082594521 348003766 /nfs/dbraw/zinc/00/37/66/348003766.db2.gz GXAVJCHAUOUYQP-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000161771211 179374742 /nfs/dbraw/zinc/37/47/42/179374742.db2.gz FQJFFGJVACAOKI-OLZOCXBDSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228158654 179376325 /nfs/dbraw/zinc/37/63/25/179376325.db2.gz YLUCQRRMZFQBLQ-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cc(N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)nc(C)[nH+]1 ZINC000397479421 362887967 /nfs/dbraw/zinc/88/79/67/362887967.db2.gz KWUIZTZLWLMXKG-NDMJEZRESA-N 2 1 248.374 1.903 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccs2)CC[C@H]1[NH3+] ZINC000251733419 362903096 /nfs/dbraw/zinc/90/30/96/362903096.db2.gz KKIYSSXHIBHNQU-GXSJLCMTSA-N 2 1 210.346 1.917 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496853 362921105 /nfs/dbraw/zinc/92/11/05/362921105.db2.gz NJQVJLCYKATMGS-NWDGAFQWSA-N 2 1 228.380 1.874 20 0 BDADMP CN(C[C@@H]1CCOC1)C(C)(C)C[NH+]1CCCC1 ZINC000419371780 192128833 /nfs/dbraw/zinc/12/88/33/192128833.db2.gz JQUSZGKWFFHSSL-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000429452850 192146906 /nfs/dbraw/zinc/14/69/06/192146906.db2.gz QTQAVYJNYOXJHV-OUAUKWLOSA-N 2 1 248.317 1.219 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([NH2+]C)C1 ZINC000420139608 192169280 /nfs/dbraw/zinc/16/92/80/192169280.db2.gz BPXDSKXTDXLHCA-SNVBAGLBSA-N 2 1 249.314 1.056 20 0 BDADMP c1nc(N[C@H]2CC[NH2+]C2)cc(NCC2CC2)[nH+]1 ZINC000420135626 192169337 /nfs/dbraw/zinc/16/93/37/192169337.db2.gz HGDUWWVZYHMFCR-JTQLQIEISA-N 2 1 233.319 1.072 20 0 BDADMP C[C@H](C[S@@](C)=O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598971871 349069648 /nfs/dbraw/zinc/06/96/48/349069648.db2.gz HNVQZRDHULMOGO-OHUAYANFSA-N 2 1 246.420 1.216 20 0 BDADMP C[C@H](C[S@@](C)=O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598971871 349069650 /nfs/dbraw/zinc/06/96/50/349069650.db2.gz HNVQZRDHULMOGO-OHUAYANFSA-N 2 1 246.420 1.216 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCOC2)[C@H](C)C1 ZINC000246840815 349108078 /nfs/dbraw/zinc/10/80/78/349108078.db2.gz CDYZPULUGKVAIJ-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000253119074 349224267 /nfs/dbraw/zinc/22/42/67/349224267.db2.gz LCXXFTUKXPZAJV-MROQNXINSA-N 2 1 226.364 1.328 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524717 362945905 /nfs/dbraw/zinc/94/59/05/362945905.db2.gz GHLHKUMZUUDDLJ-STQMWFEESA-N 2 1 242.407 1.713 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000234951818 191000635 /nfs/dbraw/zinc/00/06/35/191000635.db2.gz YMJMMKNKJJOSLC-HNNXBMFYSA-N 2 1 248.370 1.908 20 0 BDADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530251 362950020 /nfs/dbraw/zinc/95/00/20/362950020.db2.gz RIYNLJQEFPPHPT-STQMWFEESA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530251 362950032 /nfs/dbraw/zinc/95/00/32/362950032.db2.gz RIYNLJQEFPPHPT-STQMWFEESA-N 3 1 241.423 1.647 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530251 362950037 /nfs/dbraw/zinc/95/00/37/362950037.db2.gz RIYNLJQEFPPHPT-STQMWFEESA-N 3 1 241.423 1.647 20 0 BDADMP C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530249 362949840 /nfs/dbraw/zinc/94/98/40/362949840.db2.gz RIYNLJQEFPPHPT-OLZOCXBDSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530249 362949845 /nfs/dbraw/zinc/94/98/45/362949845.db2.gz RIYNLJQEFPPHPT-OLZOCXBDSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530249 362949849 /nfs/dbraw/zinc/94/98/49/362949849.db2.gz RIYNLJQEFPPHPT-OLZOCXBDSA-N 3 1 241.423 1.647 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000132202731 191027447 /nfs/dbraw/zinc/02/74/47/191027447.db2.gz BEGTZJXBQRNZQZ-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCCCO ZINC000313903821 350165694 /nfs/dbraw/zinc/16/56/94/350165694.db2.gz RWTWSFKXEGLKLU-UHFFFAOYSA-N 2 1 239.363 1.447 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCCCO ZINC000313903821 350165697 /nfs/dbraw/zinc/16/56/97/350165697.db2.gz RWTWSFKXEGLKLU-UHFFFAOYSA-N 2 1 239.363 1.447 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000049714049 180145122 /nfs/dbraw/zinc/14/51/22/180145122.db2.gz QRSYMGPKKGUWMO-WPRPVWTQSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000049714049 180145125 /nfs/dbraw/zinc/14/51/25/180145125.db2.gz QRSYMGPKKGUWMO-WPRPVWTQSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125548468 180221533 /nfs/dbraw/zinc/22/15/33/180221533.db2.gz KACLUMYAAJCOMC-CYBMUJFWSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125548468 180221534 /nfs/dbraw/zinc/22/15/34/180221534.db2.gz KACLUMYAAJCOMC-CYBMUJFWSA-N 2 1 233.359 1.774 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623533454 362951875 /nfs/dbraw/zinc/95/18/75/362951875.db2.gz ALCRVBQAVVFPNV-STQMWFEESA-N 2 1 240.391 1.874 20 0 BDADMP Cc1nccn1CCCC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000373512121 180236932 /nfs/dbraw/zinc/23/69/32/180236932.db2.gz HGYKKDRHILLOBL-ZDUSSCGKSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000373512121 180236935 /nfs/dbraw/zinc/23/69/35/180236935.db2.gz HGYKKDRHILLOBL-ZDUSSCGKSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000373512121 180236936 /nfs/dbraw/zinc/23/69/36/180236936.db2.gz HGYKKDRHILLOBL-ZDUSSCGKSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](CCO)C1CCC1 ZINC000336697458 180238799 /nfs/dbraw/zinc/23/87/99/180238799.db2.gz SYZNWUMHRRYEGV-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)C1CCC1 ZINC000336697458 180238800 /nfs/dbraw/zinc/23/88/00/180238800.db2.gz SYZNWUMHRRYEGV-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1C[C@@H]1C ZINC000309117028 180245734 /nfs/dbraw/zinc/24/57/34/180245734.db2.gz LYACHKFHCDYIBA-CMPLNLGQSA-N 2 1 207.321 1.827 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@H]1C ZINC000269702240 180246900 /nfs/dbraw/zinc/24/69/00/180246900.db2.gz MHAKGRBDONGYHT-JQWIXIFHSA-N 2 1 223.320 1.349 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000337946477 180247177 /nfs/dbraw/zinc/24/71/77/180247177.db2.gz NKODIBSZNLYGNC-WCQYABFASA-N 2 1 236.363 1.121 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000295175817 180251480 /nfs/dbraw/zinc/25/14/80/180251480.db2.gz OZFZSLVWHMSDIM-JTQLQIEISA-N 2 1 225.336 1.283 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C(C)(C)O ZINC000295175817 180251481 /nfs/dbraw/zinc/25/14/81/180251481.db2.gz OZFZSLVWHMSDIM-JTQLQIEISA-N 2 1 225.336 1.283 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CCc2ncccc2C1 ZINC000368321559 180253770 /nfs/dbraw/zinc/25/37/70/180253770.db2.gz MMQVEQYNPOUJRZ-UHFFFAOYSA-N 2 1 242.326 1.645 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CCc2ncccc2C1 ZINC000368321559 180253773 /nfs/dbraw/zinc/25/37/73/180253773.db2.gz MMQVEQYNPOUJRZ-UHFFFAOYSA-N 2 1 242.326 1.645 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000336726018 180241493 /nfs/dbraw/zinc/24/14/93/180241493.db2.gz UGKYQHRFTMQVKL-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000336726018 180241495 /nfs/dbraw/zinc/24/14/95/180241495.db2.gz UGKYQHRFTMQVKL-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnccn1 ZINC000268883266 180245292 /nfs/dbraw/zinc/24/52/92/180245292.db2.gz SFDMIRFCFJCKOA-NSHDSACASA-N 2 1 245.330 1.722 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623534058 362952660 /nfs/dbraw/zinc/95/26/60/362952660.db2.gz VRMCXOWWFYSXEE-VXGBXAGGSA-N 2 1 242.407 1.998 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1=CCCOC1 ZINC000178164688 180265811 /nfs/dbraw/zinc/26/58/11/180265811.db2.gz PISJWIFYEPVYOU-GFCCVEGCSA-N 2 1 249.358 1.764 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCSC1 ZINC000167306055 180268227 /nfs/dbraw/zinc/26/82/27/180268227.db2.gz RTXVNRPIQMCWMF-ZYHUDNBSSA-N 2 1 239.388 1.923 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)CN(C)CC ZINC000309305993 350274291 /nfs/dbraw/zinc/27/42/91/350274291.db2.gz ZRFAOMHQWGBULA-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000309305993 350274293 /nfs/dbraw/zinc/27/42/93/350274293.db2.gz ZRFAOMHQWGBULA-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000309305993 350274295 /nfs/dbraw/zinc/27/42/95/350274295.db2.gz ZRFAOMHQWGBULA-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000309305993 350274296 /nfs/dbraw/zinc/27/42/96/350274296.db2.gz ZRFAOMHQWGBULA-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000309305993 350274297 /nfs/dbraw/zinc/27/42/97/350274297.db2.gz ZRFAOMHQWGBULA-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](C)O)[C@@H](C)C1 ZINC000223584024 350279647 /nfs/dbraw/zinc/27/96/47/350279647.db2.gz QZPAFLRMJJOENJ-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000325109077 350313735 /nfs/dbraw/zinc/31/37/35/350313735.db2.gz YWDTZKXAJAQAPG-UONOGXRCSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328174740 350380677 /nfs/dbraw/zinc/38/06/77/350380677.db2.gz KYHARASYVSUEKO-AVGNSLFASA-N 2 1 226.364 1.208 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228149256 180318452 /nfs/dbraw/zinc/31/84/52/180318452.db2.gz KSSYCOBDPXIZHD-WCBMZHEXSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1cc(NC[C@@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000162777401 350425459 /nfs/dbraw/zinc/42/54/59/350425459.db2.gz NYYYQJIIZXGXPH-CYBMUJFWSA-N 2 1 234.347 1.048 20 0 BDADMP Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)cc[nH+]1 ZINC000162777401 350425462 /nfs/dbraw/zinc/42/54/62/350425462.db2.gz NYYYQJIIZXGXPH-CYBMUJFWSA-N 2 1 234.347 1.048 20 0 BDADMP Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)cc[nH+]1 ZINC000162777401 350425464 /nfs/dbraw/zinc/42/54/64/350425464.db2.gz NYYYQJIIZXGXPH-CYBMUJFWSA-N 2 1 234.347 1.048 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000069889613 350431336 /nfs/dbraw/zinc/43/13/36/350431336.db2.gz GSYLASQMULOPOM-WCQYABFASA-N 2 1 226.364 1.628 20 0 BDADMP Cc1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc[nH+]1 ZINC000162799402 350431424 /nfs/dbraw/zinc/43/14/24/350431424.db2.gz MIOCBLFRQGXEHJ-KGLIPLIRSA-N 2 1 247.342 1.665 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538152 362956759 /nfs/dbraw/zinc/95/67/59/362956759.db2.gz YYPKGFFJDMGUQB-CHWSQXEVSA-N 2 1 242.407 2.000 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125969542 180374741 /nfs/dbraw/zinc/37/47/41/180374741.db2.gz YMGCCXFCOQIXQJ-UONOGXRCSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000125969542 180374745 /nfs/dbraw/zinc/37/47/45/180374745.db2.gz YMGCCXFCOQIXQJ-UONOGXRCSA-N 2 1 248.374 1.445 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000163346262 350516301 /nfs/dbraw/zinc/51/63/01/350516301.db2.gz OIHFGFOSZOLZFG-NWDGAFQWSA-N 2 1 226.364 1.220 20 0 BDADMP COc1ccsc1C[NH2+]CCC[NH2+]C1CC1 ZINC000163433175 350521603 /nfs/dbraw/zinc/52/16/03/350521603.db2.gz YCNXXPPICJIJTD-UHFFFAOYSA-N 2 1 240.372 1.988 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000156776080 191116415 /nfs/dbraw/zinc/11/64/15/191116415.db2.gz QCHXHZYLZIVIHD-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156776080 191116418 /nfs/dbraw/zinc/11/64/18/191116418.db2.gz QCHXHZYLZIVIHD-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156776080 191116419 /nfs/dbraw/zinc/11/64/19/191116419.db2.gz QCHXHZYLZIVIHD-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP c1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668641 350913740 /nfs/dbraw/zinc/91/37/40/350913740.db2.gz YTTCZAFETTUDMF-RYUDHWBXSA-N 2 1 220.320 1.126 20 0 BDADMP c1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668641 350913744 /nfs/dbraw/zinc/91/37/44/350913744.db2.gz YTTCZAFETTUDMF-RYUDHWBXSA-N 2 1 220.320 1.126 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CC1(O)CCCC1 ZINC000083466247 351386876 /nfs/dbraw/zinc/38/68/76/351386876.db2.gz AQQUMXKQPRBXPG-UHFFFAOYSA-N 2 1 223.320 1.086 20 0 BDADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)sn1 ZINC000404494227 351482473 /nfs/dbraw/zinc/48/24/73/351482473.db2.gz ZTVXNDXMVXQEPJ-MNOVXSKESA-N 2 1 237.372 1.860 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650098 366032649 /nfs/dbraw/zinc/03/26/49/366032649.db2.gz CVXQLJAODDJINR-QWRGUYRKSA-N 2 1 222.336 1.230 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+](C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650098 366032655 /nfs/dbraw/zinc/03/26/55/366032655.db2.gz CVXQLJAODDJINR-QWRGUYRKSA-N 2 1 222.336 1.230 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650098 366032662 /nfs/dbraw/zinc/03/26/62/366032662.db2.gz CVXQLJAODDJINR-QWRGUYRKSA-N 2 1 222.336 1.230 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000577839677 366078899 /nfs/dbraw/zinc/07/88/99/366078899.db2.gz GPZASPUGJLPZPT-QWHCGFSZSA-N 2 1 225.380 1.236 20 0 BDADMP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000178029832 366079387 /nfs/dbraw/zinc/07/93/87/366079387.db2.gz YEAVDVBCGMSAAH-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@H+](Cc1ccc(=O)[nH]c1)C[C@H]1CCC[NH+](C)C1 ZINC000637930458 351807012 /nfs/dbraw/zinc/80/70/12/351807012.db2.gz NWYBSIXNSNNPSF-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP C[NH+](Cc1ccc(=O)[nH]c1)C[C@H]1CCC[N@H+](C)C1 ZINC000637930458 351807014 /nfs/dbraw/zinc/80/70/14/351807014.db2.gz NWYBSIXNSNNPSF-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP C[NH+](Cc1ccc(=O)[nH]c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930458 351807016 /nfs/dbraw/zinc/80/70/16/351807016.db2.gz NWYBSIXNSNNPSF-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638175016 352040426 /nfs/dbraw/zinc/04/04/26/352040426.db2.gz VPHFJWSWMUCHSN-ZDUSSCGKSA-N 2 1 247.342 1.568 20 0 BDADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638175016 352040429 /nfs/dbraw/zinc/04/04/29/352040429.db2.gz VPHFJWSWMUCHSN-ZDUSSCGKSA-N 2 1 247.342 1.568 20 0 BDADMP C[C@H](CCC[NH3+])NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638252574 352095924 /nfs/dbraw/zinc/09/59/24/352095924.db2.gz UGPVWJFCGFILIT-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000638337984 352158021 /nfs/dbraw/zinc/15/80/21/352158021.db2.gz OJTUZCSFQANPOE-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C[NH2+]C[C@@H](OC)C1CC1)[NH+]1CCCC1 ZINC000638354902 352169359 /nfs/dbraw/zinc/16/93/59/352169359.db2.gz XVEXITDOYPQQHE-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C[C@@H]1CCO1 ZINC000638368428 352179252 /nfs/dbraw/zinc/17/92/52/352179252.db2.gz LDVUADXCULDTMF-MGPQQGTHSA-N 2 1 238.375 1.772 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000037157191 358468637 /nfs/dbraw/zinc/46/86/37/358468637.db2.gz LVSJSFONXOUOSQ-LBPRGKRZSA-N 2 1 236.363 1.346 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638457992 352269123 /nfs/dbraw/zinc/26/91/23/352269123.db2.gz QFXZQZHEMJJFNK-GFCCVEGCSA-N 2 1 223.320 1.350 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414949091 352370734 /nfs/dbraw/zinc/37/07/34/352370734.db2.gz ZOJVTBVCZJKYNS-NDBYEHHHSA-N 3 1 225.380 1.105 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCC1(O)CCC1 ZINC000411662998 191203772 /nfs/dbraw/zinc/20/37/72/191203772.db2.gz CIDYYPMMPPLODP-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000412037020 191248643 /nfs/dbraw/zinc/24/86/43/191248643.db2.gz MQWZCUKOGFWYLI-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000334235822 352853898 /nfs/dbraw/zinc/85/38/98/352853898.db2.gz HLTFWDJYVSKACO-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21)OC ZINC000638918766 353082968 /nfs/dbraw/zinc/08/29/68/353082968.db2.gz TWFGPDYOHGTXES-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336667868 188011227 /nfs/dbraw/zinc/01/12/27/188011227.db2.gz NZCJVMMVOAHVPM-ZDUSSCGKSA-N 2 1 228.380 1.543 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336667868 188011228 /nfs/dbraw/zinc/01/12/28/188011228.db2.gz NZCJVMMVOAHVPM-ZDUSSCGKSA-N 2 1 228.380 1.543 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336715663 188012738 /nfs/dbraw/zinc/01/27/38/188012738.db2.gz SSJYVZJSKLBXBR-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP C1C[N@H+]2CCCC[C@H]2[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000129014277 188049100 /nfs/dbraw/zinc/04/91/00/188049100.db2.gz LQWIXPSFASFBFS-RDBSUJKOSA-N 2 1 237.391 1.345 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638997953 353240340 /nfs/dbraw/zinc/24/03/40/353240340.db2.gz ZXZNVTODZZKEDK-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251719619 353287729 /nfs/dbraw/zinc/28/77/29/353287729.db2.gz JVVDIEXSALMAES-WZRBSPASSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251719619 353287731 /nfs/dbraw/zinc/28/77/31/353287731.db2.gz JVVDIEXSALMAES-WZRBSPASSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251866427 353292448 /nfs/dbraw/zinc/29/24/48/353292448.db2.gz SYFLEGHKHAFYIJ-GXTWGEPZSA-N 2 1 234.343 1.735 20 0 BDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1CC1CC[NH2+]CC1 ZINC000251925366 353293410 /nfs/dbraw/zinc/29/34/10/353293410.db2.gz YHTJBSHFGLLJNU-JSGCOSHPSA-N 2 1 237.391 1.155 20 0 BDADMP CCN1CCC[C@@H]1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000252572123 353299749 /nfs/dbraw/zinc/29/97/49/353299749.db2.gz CHRHIBKRUGNAOR-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1CN(C)CC[C@H]1CC[NH2+]C1 ZINC000252572123 353299750 /nfs/dbraw/zinc/29/97/50/353299750.db2.gz CHRHIBKRUGNAOR-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)CC[C@H]1CC[NH2+]C1 ZINC000252572123 353299753 /nfs/dbraw/zinc/29/97/53/353299753.db2.gz CHRHIBKRUGNAOR-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000132472840 353381615 /nfs/dbraw/zinc/38/16/15/353381615.db2.gz KEBADUWQWXQQKJ-UWVGGRQHSA-N 2 1 202.367 1.422 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000639105329 353602952 /nfs/dbraw/zinc/60/29/52/353602952.db2.gz FWPPNHFWPYZJHI-YPMHNXCESA-N 2 1 249.358 1.460 20 0 BDADMP C[N@@H+](CCc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000231668636 353642329 /nfs/dbraw/zinc/64/23/29/353642329.db2.gz AZIQLBZJJRSGLE-AWEZNQCLSA-N 2 1 233.359 1.698 20 0 BDADMP COCCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227737453 363248342 /nfs/dbraw/zinc/24/83/42/363248342.db2.gz MLURDAFAXZQZDX-LLVKDONJSA-N 2 1 202.342 1.328 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)CC[N@@H+]1C ZINC000334519560 353673516 /nfs/dbraw/zinc/67/35/16/353673516.db2.gz LEQNPFHHEGTDCG-QYNFOATHSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)CC[N@H+]1C ZINC000334519560 353673519 /nfs/dbraw/zinc/67/35/19/353673519.db2.gz LEQNPFHHEGTDCG-QYNFOATHSA-N 2 1 214.328 1.949 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000343686575 353963788 /nfs/dbraw/zinc/96/37/88/353963788.db2.gz BOERNKORFQIGAR-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[NH+]1CC[C@H](CN[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000343686575 353963791 /nfs/dbraw/zinc/96/37/91/353963791.db2.gz BOERNKORFQIGAR-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[NH+]1CC[C@H](CN[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000343686575 353963795 /nfs/dbraw/zinc/96/37/95/353963795.db2.gz BOERNKORFQIGAR-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000343686575 353963798 /nfs/dbraw/zinc/96/37/98/353963798.db2.gz BOERNKORFQIGAR-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000343686575 353963801 /nfs/dbraw/zinc/96/38/01/353963801.db2.gz BOERNKORFQIGAR-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000334546609 353984506 /nfs/dbraw/zinc/98/45/06/353984506.db2.gz LHNQYPCQGYAMAT-PBWFPOADSA-N 3 1 237.391 1.201 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000344068295 354131649 /nfs/dbraw/zinc/13/16/49/354131649.db2.gz VGXPXKODCKVSGM-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000344068295 354131652 /nfs/dbraw/zinc/13/16/52/354131652.db2.gz VGXPXKODCKVSGM-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000344068295 354131656 /nfs/dbraw/zinc/13/16/56/354131656.db2.gz VGXPXKODCKVSGM-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CC(OC)C2)CC1 ZINC000230673291 363318859 /nfs/dbraw/zinc/31/88/59/363318859.db2.gz YICHUAGQQWWWNY-UHFFFAOYSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@H](CO)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000344137927 354151401 /nfs/dbraw/zinc/15/14/01/354151401.db2.gz KADOROJGTGXWLV-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@H](CO)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000344137927 354151404 /nfs/dbraw/zinc/15/14/04/354151404.db2.gz KADOROJGTGXWLV-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@H](CO)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000344137927 354151407 /nfs/dbraw/zinc/15/14/07/354151407.db2.gz KADOROJGTGXWLV-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)C(C)(C)[NH2+]CC[NH2+]C(C)(C)C ZINC000230976740 363332532 /nfs/dbraw/zinc/33/25/32/363332532.db2.gz NKADCEOORRLKPZ-VIFPVBQESA-N 2 1 202.342 1.124 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cccc(CO)c2)C1 ZINC000344230459 354184804 /nfs/dbraw/zinc/18/48/04/354184804.db2.gz IJEZQPDOICTAGC-DOMZBBRYSA-N 2 1 248.370 1.609 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000449739350 202016002 /nfs/dbraw/zinc/01/60/02/202016002.db2.gz KKDMZQIVRFEEGQ-CQSZACIVSA-N 2 1 249.358 1.398 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000123394494 324362827 /nfs/dbraw/zinc/36/28/27/324362827.db2.gz FODIPNPJHKUMQB-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCOCC1 ZINC000344287317 354204606 /nfs/dbraw/zinc/20/46/06/354204606.db2.gz ILZALZGLTFEHKB-LBPRGKRZSA-N 2 1 238.375 1.653 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344331022 354227148 /nfs/dbraw/zinc/22/71/48/354227148.db2.gz ONQSEEWSNXMLDQ-SWLSCSKDSA-N 2 1 249.402 1.321 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000344766386 354357202 /nfs/dbraw/zinc/35/72/02/354357202.db2.gz XYNVRTIJLFCUAS-KBPBESRZSA-N 2 1 248.374 1.747 20 0 BDADMP C[C@@H](O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334624977 354364355 /nfs/dbraw/zinc/36/43/55/354364355.db2.gz SEEGXRPWHTWIFS-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334624977 354364356 /nfs/dbraw/zinc/36/43/56/354364356.db2.gz SEEGXRPWHTWIFS-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334624977 354364358 /nfs/dbraw/zinc/36/43/58/354364358.db2.gz SEEGXRPWHTWIFS-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CSC1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000335921189 134007023 /nfs/dbraw/zinc/00/70/23/134007023.db2.gz SERWQPOXDVBAJU-WDEREUQCSA-N 2 1 226.389 1.566 20 0 BDADMP CSC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000335921189 134007024 /nfs/dbraw/zinc/00/70/24/134007024.db2.gz SERWQPOXDVBAJU-WDEREUQCSA-N 2 1 226.389 1.566 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000334649522 354441109 /nfs/dbraw/zinc/44/11/09/354441109.db2.gz HDSDSYODFGXFFG-MWLCHTKSSA-N 2 1 222.336 1.277 20 0 BDADMP CCCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503336 354600104 /nfs/dbraw/zinc/60/01/04/354600104.db2.gz FIDCUNHUDDWXDQ-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503336 354600107 /nfs/dbraw/zinc/60/01/07/354600107.db2.gz FIDCUNHUDDWXDQ-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CN(C)c1ncc(C[N@H+]2CC[C@H]3CCC[C@H]32)n1C ZINC000335109820 354695609 /nfs/dbraw/zinc/69/56/09/354695609.db2.gz JBJGJIBJTRHNEE-DGCLKSJQSA-N 2 1 248.374 1.861 20 0 BDADMP COCCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000234706176 363428013 /nfs/dbraw/zinc/42/80/13/363428013.db2.gz GZKRPEKVACQBNZ-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP CCOc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000346629581 354997434 /nfs/dbraw/zinc/99/74/34/354997434.db2.gz BFUZEGNSFQBDDA-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000346629581 354997436 /nfs/dbraw/zinc/99/74/36/354997436.db2.gz BFUZEGNSFQBDDA-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2C[NH2+]C)CCO1 ZINC000346678602 355009719 /nfs/dbraw/zinc/00/97/19/355009719.db2.gz MEEKTWBJDDQKBM-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000346633554 355014679 /nfs/dbraw/zinc/01/46/79/355014679.db2.gz FMJFVAYXTNKPBS-WDEREUQCSA-N 2 1 248.326 1.584 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)[C@H](C)C1 ZINC000346881661 355143765 /nfs/dbraw/zinc/14/37/65/355143765.db2.gz OGTXWCAGLCZEGA-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+](CCc1nccs1)C[C@@H]1CCC[NH2+]C1 ZINC000346993107 355191765 /nfs/dbraw/zinc/19/17/65/355191765.db2.gz UNEIAIJJKCDEMO-LLVKDONJSA-N 2 1 239.388 1.617 20 0 BDADMP C[C@@H]1C[N@@H+](C)CCN1c1cc(NC2CC2)ncn1 ZINC000413145445 191358828 /nfs/dbraw/zinc/35/88/28/191358828.db2.gz ZVEAGIGRUDFDSG-SNVBAGLBSA-N 2 1 247.346 1.191 20 0 BDADMP C[C@@H]1CN(C)CCN1c1cc(NC2CC2)ncn1 ZINC000413145445 191358831 /nfs/dbraw/zinc/35/88/31/191358831.db2.gz ZVEAGIGRUDFDSG-SNVBAGLBSA-N 2 1 247.346 1.191 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000335280483 355244557 /nfs/dbraw/zinc/24/45/57/355244557.db2.gz MEYKICCNCJKGOY-QWHCGFSZSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000412979337 191348271 /nfs/dbraw/zinc/34/82/71/191348271.db2.gz TYBJFWRAPFJTKG-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000412979337 191348274 /nfs/dbraw/zinc/34/82/74/191348274.db2.gz TYBJFWRAPFJTKG-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000412979337 191348277 /nfs/dbraw/zinc/34/82/77/191348277.db2.gz TYBJFWRAPFJTKG-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CO[C@H](C[NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000639245296 355257608 /nfs/dbraw/zinc/25/76/08/355257608.db2.gz VQYROGUOHIXWEA-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000191205398 355347358 /nfs/dbraw/zinc/34/73/58/355347358.db2.gz SPEJUXBDBMSOIX-DDHJBXDOSA-N 2 1 214.353 1.340 20 0 BDADMP COc1ccsc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335786258 355436114 /nfs/dbraw/zinc/43/61/14/355436114.db2.gz DOFBUFXMZHBXBF-VHSXEESVSA-N 2 1 240.372 1.926 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335786258 355436117 /nfs/dbraw/zinc/43/61/17/355436117.db2.gz DOFBUFXMZHBXBF-VHSXEESVSA-N 2 1 240.372 1.926 20 0 BDADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccn(C)n1 ZINC000349784486 355462403 /nfs/dbraw/zinc/46/24/03/355462403.db2.gz PVGRMZZPBDVEMS-CYBMUJFWSA-N 2 1 248.374 1.723 20 0 BDADMP C1CC1[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414872677 191609315 /nfs/dbraw/zinc/60/93/15/191609315.db2.gz WQAAFYTZMFJGJH-JHJVBQTASA-N 2 1 208.349 1.907 20 0 BDADMP CC[C@@H]1C[N@H+]([C@@H](C)CCOC)CC[C@H]1[NH3+] ZINC000251793302 491080486 /nfs/dbraw/zinc/08/04/86/491080486.db2.gz NRTYXJHIPUHBGY-QJPTWQEYSA-N 2 1 214.353 1.471 20 0 BDADMP C[N@@H+](CCCCO)CC[C@H]1CCC[NH+]1C ZINC000349922296 355528979 /nfs/dbraw/zinc/52/89/79/355528979.db2.gz QOUWRGKHPRHZGL-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP C[NH+](CCCCO)CC[C@H]1CCC[N@@H+]1C ZINC000349922296 355528984 /nfs/dbraw/zinc/52/89/84/355528984.db2.gz QOUWRGKHPRHZGL-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP C[NH+](CCCCO)CC[C@H]1CCC[N@H+]1C ZINC000349922296 355528986 /nfs/dbraw/zinc/52/89/86/355528986.db2.gz QOUWRGKHPRHZGL-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CCC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181312 355621445 /nfs/dbraw/zinc/62/14/45/355621445.db2.gz NMYOMFGJSJVOJY-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc1 ZINC000335863712 355627848 /nfs/dbraw/zinc/62/78/48/355627848.db2.gz JHVCBBAKWIKVCN-BETUJISGSA-N 2 1 231.343 1.383 20 0 BDADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC23CC3)CC1 ZINC000417371342 191806198 /nfs/dbraw/zinc/80/61/98/191806198.db2.gz VJEPWOUCVBUMIK-LBPRGKRZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417350656 191791667 /nfs/dbraw/zinc/79/16/67/191791667.db2.gz AULVDFGOAFLERG-KVSVUVNWSA-N 2 1 226.364 1.218 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167424674 355993407 /nfs/dbraw/zinc/99/34/07/355993407.db2.gz XWMGECKOFHNHEE-STQMWFEESA-N 2 1 228.380 1.633 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000420265420 192192244 /nfs/dbraw/zinc/19/22/44/192192244.db2.gz QAABTQUTSYEBDU-RKDXNWHRSA-N 2 1 246.318 1.118 20 0 BDADMP C[C@H]1C[N@@H+](CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000420297282 192204460 /nfs/dbraw/zinc/20/44/60/192204460.db2.gz YLIKLFWDRXQHQC-GXTWGEPZSA-N 2 1 233.359 1.683 20 0 BDADMP C(C[N@@H+](C[C@H]1CCOC1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000420299069 192204821 /nfs/dbraw/zinc/20/48/21/192204821.db2.gz GFHBKJWRODWHCY-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1CN ZINC000420296598 192204937 /nfs/dbraw/zinc/20/49/37/192204937.db2.gz XFZZBKVIPZHARS-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000420296598 192204940 /nfs/dbraw/zinc/20/49/40/192204940.db2.gz XFZZBKVIPZHARS-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP CCC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000420296038 192206003 /nfs/dbraw/zinc/20/60/03/192206003.db2.gz CWLJCULNZVIVQN-CQSZACIVSA-N 2 1 239.407 1.404 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420299964 192206558 /nfs/dbraw/zinc/20/65/58/192206558.db2.gz BZKXBRYBSJHIQN-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP COC(=O)CCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302354 192206851 /nfs/dbraw/zinc/20/68/51/192206851.db2.gz FTKAXVJTYJIXES-UHFFFAOYSA-N 2 1 240.347 1.015 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320354 192195505 /nfs/dbraw/zinc/19/55/05/192195505.db2.gz BJHGMRXZQQZMKX-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC[C@H]1CCC[NH2+]C1 ZINC000420299964 192206560 /nfs/dbraw/zinc/20/65/60/192206560.db2.gz BZKXBRYBSJHIQN-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420273942 192197276 /nfs/dbraw/zinc/19/72/76/192197276.db2.gz NZNLRDGYJRINIU-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@](C[NH3+])([NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000420286406 192200860 /nfs/dbraw/zinc/20/08/60/192200860.db2.gz GHYLKZYJGAMSPE-NWDGAFQWSA-N 2 1 212.337 1.273 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420287309 192202177 /nfs/dbraw/zinc/20/21/77/192202177.db2.gz HUMSJJVGDIBTEE-NWDGAFQWSA-N 2 1 242.363 1.387 20 0 BDADMP c1cnn([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000420315765 192213490 /nfs/dbraw/zinc/21/34/90/192213490.db2.gz LLADMKJTPKRDFY-KGLIPLIRSA-N 2 1 248.374 1.520 20 0 BDADMP C[C@@H]1NCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000420315858 192213494 /nfs/dbraw/zinc/21/34/94/192213494.db2.gz SBIOGFCUXHULIB-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCN(CC[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000420315858 192213496 /nfs/dbraw/zinc/21/34/96/192213496.db2.gz SBIOGFCUXHULIB-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(C)=O)C1 ZINC000639508404 356337034 /nfs/dbraw/zinc/33/70/34/356337034.db2.gz PYKMQZWXCAROQG-CYBMUJFWSA-N 2 1 242.363 1.008 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(C)=O)C1 ZINC000639508404 356337039 /nfs/dbraw/zinc/33/70/39/356337039.db2.gz PYKMQZWXCAROQG-CYBMUJFWSA-N 2 1 242.363 1.008 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420318310 192215017 /nfs/dbraw/zinc/21/50/17/192215017.db2.gz OKHRZPUJTQEGBO-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336757 192215054 /nfs/dbraw/zinc/21/50/54/192215054.db2.gz WGMZQMARHNKJHI-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000639510227 356339667 /nfs/dbraw/zinc/33/96/67/356339667.db2.gz ZAINXVVUTKUQLV-IGQOVBAYSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000639510227 356339670 /nfs/dbraw/zinc/33/96/70/356339670.db2.gz ZAINXVVUTKUQLV-IGQOVBAYSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639510227 356339672 /nfs/dbraw/zinc/33/96/72/356339672.db2.gz ZAINXVVUTKUQLV-IGQOVBAYSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639510227 356339676 /nfs/dbraw/zinc/33/96/76/356339676.db2.gz ZAINXVVUTKUQLV-IGQOVBAYSA-N 2 1 240.391 1.826 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639510520 356343359 /nfs/dbraw/zinc/34/33/59/356343359.db2.gz BBRGJSVHTBKSRB-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639510520 356343363 /nfs/dbraw/zinc/34/33/63/356343363.db2.gz BBRGJSVHTBKSRB-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639510520 356343367 /nfs/dbraw/zinc/34/33/67/356343367.db2.gz BBRGJSVHTBKSRB-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)C[C@H](O)C[NH3+])C1 ZINC000420353674 192217561 /nfs/dbraw/zinc/21/75/61/192217561.db2.gz NQFFEJVXKVXSLQ-JHJVBQTASA-N 2 1 228.380 1.454 20 0 BDADMP CCc1ccccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349048 192218162 /nfs/dbraw/zinc/21/81/62/192218162.db2.gz BODKMDYXRDCBCE-CYBMUJFWSA-N 2 1 222.332 1.000 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420305238 192208712 /nfs/dbraw/zinc/20/87/12/192208712.db2.gz PEPSHRYMUBDABT-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCCCO1 ZINC000420307285 192209125 /nfs/dbraw/zinc/20/91/25/192209125.db2.gz BWKVFGAGTBRVSB-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCCCO1 ZINC000420307285 192209128 /nfs/dbraw/zinc/20/91/28/192209128.db2.gz BWKVFGAGTBRVSB-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](CCCC(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000420309375 192210103 /nfs/dbraw/zinc/21/01/03/192210103.db2.gz LFUXORPPIZPVIH-LBPRGKRZSA-N 2 1 242.363 1.404 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000420312246 192210270 /nfs/dbraw/zinc/21/02/70/192210270.db2.gz SAMJPXJGOSSMCK-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000420312246 192210272 /nfs/dbraw/zinc/21/02/72/192210272.db2.gz SAMJPXJGOSSMCK-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP CC[N@@H+](CCCOC)[C@H]1CCC[NH2+]CC1 ZINC000420311084 192210504 /nfs/dbraw/zinc/21/05/04/192210504.db2.gz MYYUVJHOHMABBI-LBPRGKRZSA-N 2 1 214.353 1.487 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420312807 192211222 /nfs/dbraw/zinc/21/12/22/192211222.db2.gz XITUOUAFCMQOMR-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000420312247 192211416 /nfs/dbraw/zinc/21/14/16/192211416.db2.gz SAMJPXJGOSSMCK-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000420312247 192211418 /nfs/dbraw/zinc/21/14/18/192211418.db2.gz SAMJPXJGOSSMCK-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000420317195 192212027 /nfs/dbraw/zinc/21/20/27/192212027.db2.gz MQIBHKWUPDXOKB-OCCSQVGLSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000420313270 192212100 /nfs/dbraw/zinc/21/21/00/192212100.db2.gz PNBQXAYJQWHUSY-UONOGXRCSA-N 3 1 239.407 1.450 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@H](C)N)C1 ZINC000420368305 192225959 /nfs/dbraw/zinc/22/59/59/192225959.db2.gz HZRANFRFSVIBJV-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1(CN)CCC1 ZINC000420327229 192229432 /nfs/dbraw/zinc/22/94/32/192229432.db2.gz LCNHKZRWLFKNCJ-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP CN(CC[C@H]1CCC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000420327229 192229435 /nfs/dbraw/zinc/22/94/35/192229435.db2.gz LCNHKZRWLFKNCJ-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420327866 192230121 /nfs/dbraw/zinc/23/01/21/192230121.db2.gz ZADZANVRWHTWLV-STQMWFEESA-N 3 1 227.396 1.339 20 0 BDADMP C(C[N@H+]1CCOC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000420358889 192220396 /nfs/dbraw/zinc/22/03/96/192220396.db2.gz JTDRMCCHORUCKM-AWEZNQCLSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000420361028 192221973 /nfs/dbraw/zinc/22/19/73/192221973.db2.gz XQDAWKPOXCWWBQ-WCQYABFASA-N 2 1 238.306 1.064 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420365354 192223381 /nfs/dbraw/zinc/22/33/81/192223381.db2.gz LAUGORMZBJQBEE-MBNYWOFBSA-N 3 1 239.407 1.352 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1cccnc1 ZINC000420362991 192223815 /nfs/dbraw/zinc/22/38/15/192223815.db2.gz NOWUBWNDOMNETM-GFCCVEGCSA-N 2 1 221.348 1.587 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CCCF)C1CCCCC1 ZINC000420365163 192224541 /nfs/dbraw/zinc/22/45/41/192224541.db2.gz KWDKLFHRIVEQGX-LLVKDONJSA-N 2 1 202.317 1.843 20 0 BDADMP CC(C)COCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420368706 192225278 /nfs/dbraw/zinc/22/52/78/192225278.db2.gz UMYXCYQAHMNRDW-NSHDSACASA-N 2 1 216.369 1.622 20 0 BDADMP C[N@H+]1CC[C@@H](NCCC[NH3+])[C@@H]1c1ccccc1 ZINC000420390632 192236422 /nfs/dbraw/zinc/23/64/22/192236422.db2.gz ABXPQFIKPOBOBX-KGLIPLIRSA-N 2 1 233.359 1.370 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414919679 491092266 /nfs/dbraw/zinc/09/22/66/491092266.db2.gz VPWKJCBPRMMNBW-FVCCEPFGSA-N 3 1 225.380 1.377 20 0 BDADMP COC(C)(C)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000379235454 356434584 /nfs/dbraw/zinc/43/45/84/356434584.db2.gz RVTYITOIVJQXEB-UHFFFAOYSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000167594566 134116575 /nfs/dbraw/zinc/11/65/75/134116575.db2.gz RJFDWUJVBHBOBZ-GXSJLCMTSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000167594566 134116576 /nfs/dbraw/zinc/11/65/76/134116576.db2.gz RJFDWUJVBHBOBZ-GXSJLCMTSA-N 2 1 239.388 1.868 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CCCC[C@H]1C ZINC000389634212 356496244 /nfs/dbraw/zinc/49/62/44/356496244.db2.gz NKNUBGPDGPYPOZ-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C ZINC000389634212 356496245 /nfs/dbraw/zinc/49/62/45/356496245.db2.gz NKNUBGPDGPYPOZ-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C ZINC000389634212 356496247 /nfs/dbraw/zinc/49/62/47/356496247.db2.gz NKNUBGPDGPYPOZ-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000389634212 356496250 /nfs/dbraw/zinc/49/62/50/356496250.db2.gz NKNUBGPDGPYPOZ-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639580801 356501743 /nfs/dbraw/zinc/50/17/43/356501743.db2.gz SNHVENIIUPANOD-QWHCGFSZSA-N 2 1 238.375 1.818 20 0 BDADMP CC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639580801 356501745 /nfs/dbraw/zinc/50/17/45/356501745.db2.gz SNHVENIIUPANOD-QWHCGFSZSA-N 2 1 238.375 1.818 20 0 BDADMP CC[C@]1([NH2+]CCc2c[nH+]cn2C)CCOC1 ZINC000639611203 356528824 /nfs/dbraw/zinc/52/88/24/356528824.db2.gz UTYQDLMKKLTSIB-LBPRGKRZSA-N 2 1 223.320 1.121 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000420927995 192286710 /nfs/dbraw/zinc/28/67/10/192286710.db2.gz AZEKRIYJDHKEJT-FQUUOJAGSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000420927995 192286713 /nfs/dbraw/zinc/28/67/13/192286713.db2.gz AZEKRIYJDHKEJT-FQUUOJAGSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000420927995 192286716 /nfs/dbraw/zinc/28/67/16/192286716.db2.gz AZEKRIYJDHKEJT-FQUUOJAGSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@@H]1NCC[NH+]1CCCC1(C)C ZINC000449784198 202034915 /nfs/dbraw/zinc/03/49/15/202034915.db2.gz VWYCPPMEVAFTBD-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC[NH+]1CCCC1(C)C ZINC000449784198 202034916 /nfs/dbraw/zinc/03/49/16/202034916.db2.gz VWYCPPMEVAFTBD-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[NH+](C)C[C@@H]1NCC[N@@H+]1CCCC1(C)C ZINC000449784198 202034918 /nfs/dbraw/zinc/03/49/18/202034918.db2.gz VWYCPPMEVAFTBD-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[NH+](C)C[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000449784198 202034921 /nfs/dbraw/zinc/03/49/21/202034921.db2.gz VWYCPPMEVAFTBD-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423080916 192560141 /nfs/dbraw/zinc/56/01/41/192560141.db2.gz UACGFNJUKUQJCI-OLZOCXBDSA-N 3 1 241.423 1.824 20 0 BDADMP C[N@H+]1CCN(Cc2ncc[nH]2)C[C@H]1C(C)(C)C ZINC000639747161 356642404 /nfs/dbraw/zinc/64/24/04/356642404.db2.gz FMRLHJUTXHLETK-NSHDSACASA-N 2 1 236.363 1.572 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000167625019 134153282 /nfs/dbraw/zinc/15/32/82/134153282.db2.gz DBIZBRJBORRAFW-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167625019 134153283 /nfs/dbraw/zinc/15/32/83/134153283.db2.gz DBIZBRJBORRAFW-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167625019 134153284 /nfs/dbraw/zinc/15/32/84/134153284.db2.gz DBIZBRJBORRAFW-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000639757421 356663747 /nfs/dbraw/zinc/66/37/47/356663747.db2.gz LSCHAVODJMEYKN-UHFFFAOYSA-N 2 1 226.364 1.175 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755874 356659465 /nfs/dbraw/zinc/65/94/65/356659465.db2.gz PVQDYTXHXRSDHW-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)C[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761838 356679647 /nfs/dbraw/zinc/67/96/47/356679647.db2.gz FGFKGAMSJSALGD-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761838 356679652 /nfs/dbraw/zinc/67/96/52/356679652.db2.gz FGFKGAMSJSALGD-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccno3)C2)CC1 ZINC000639757746 356664724 /nfs/dbraw/zinc/66/47/24/356664724.db2.gz PDXHEEZHZFUSQG-UHFFFAOYSA-N 2 1 235.331 1.592 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757744 356665126 /nfs/dbraw/zinc/66/51/26/356665126.db2.gz NAZNUVHAWGFQRO-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2CC=CC2)C1 ZINC000639763683 356690364 /nfs/dbraw/zinc/69/03/64/356690364.db2.gz RXIIPZFTBNSYAP-AWEZNQCLSA-N 2 1 238.375 1.341 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CC=CC2)C1 ZINC000639763683 356690366 /nfs/dbraw/zinc/69/03/66/356690366.db2.gz RXIIPZFTBNSYAP-AWEZNQCLSA-N 2 1 238.375 1.341 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2(C)CCC2)C1 ZINC000639762138 356685174 /nfs/dbraw/zinc/68/51/74/356685174.db2.gz GQODDZQNMPQUCG-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2(C)CCC2)C1 ZINC000639762138 356685176 /nfs/dbraw/zinc/68/51/76/356685176.db2.gz GQODDZQNMPQUCG-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000450462516 202172588 /nfs/dbraw/zinc/17/25/88/202172588.db2.gz HAVIEJWDPDRLDE-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000450462516 202172591 /nfs/dbraw/zinc/17/25/91/202172591.db2.gz HAVIEJWDPDRLDE-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000450462516 202172594 /nfs/dbraw/zinc/17/25/94/202172594.db2.gz HAVIEJWDPDRLDE-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCn1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423169043 192605582 /nfs/dbraw/zinc/60/55/82/192605582.db2.gz IRJGVGZAHRQMDE-PWSUYJOCSA-N 2 1 222.336 1.120 20 0 BDADMP CC(C)[C@H]([NH2+]CC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423175742 192608411 /nfs/dbraw/zinc/60/84/11/192608411.db2.gz BAJHUZHWVKXHMV-LBPRGKRZSA-N 2 1 249.314 1.779 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CC1(N)CCCCC1 ZINC000423185009 192616274 /nfs/dbraw/zinc/61/62/74/192616274.db2.gz ULNRXQBJRUVXBV-LBPRGKRZSA-N 2 1 227.396 1.755 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623377275 356896408 /nfs/dbraw/zinc/89/64/08/356896408.db2.gz SPOMYXMGHMBXEO-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623377275 356896413 /nfs/dbraw/zinc/89/64/13/356896413.db2.gz SPOMYXMGHMBXEO-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623377275 356896417 /nfs/dbraw/zinc/89/64/17/356896417.db2.gz SPOMYXMGHMBXEO-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623377275 356896419 /nfs/dbraw/zinc/89/64/19/356896419.db2.gz SPOMYXMGHMBXEO-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623377275 356896424 /nfs/dbraw/zinc/89/64/24/356896424.db2.gz SPOMYXMGHMBXEO-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP Cc1cnc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000582295541 357029254 /nfs/dbraw/zinc/02/92/54/357029254.db2.gz WXBIOZIHZXAFAG-SFYZADRCSA-N 2 1 213.350 1.667 20 0 BDADMP C[C@H](C[NH3+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389788446 357032841 /nfs/dbraw/zinc/03/28/41/357032841.db2.gz NSMTXEWTVCRCMK-NFAWXSAZSA-N 2 1 247.386 1.444 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)CC1(F)CC1 ZINC000389638381 357008134 /nfs/dbraw/zinc/00/81/34/357008134.db2.gz PGCDIPPWUDTJNY-SNVBAGLBSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC1(F)CC1 ZINC000389638381 357008135 /nfs/dbraw/zinc/00/81/35/357008135.db2.gz PGCDIPPWUDTJNY-SNVBAGLBSA-N 2 1 202.317 1.794 20 0 BDADMP CCCC[N@@H+](C[C@H](O)CN(C)CC)C1CC1 ZINC000390652646 357109329 /nfs/dbraw/zinc/10/93/29/357109329.db2.gz NWPYUKUCHHHWRZ-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[N@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000390652646 357109330 /nfs/dbraw/zinc/10/93/30/357109330.db2.gz NWPYUKUCHHHWRZ-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000390652646 357109333 /nfs/dbraw/zinc/10/93/33/357109333.db2.gz NWPYUKUCHHHWRZ-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623403137 357066576 /nfs/dbraw/zinc/06/65/76/357066576.db2.gz LBBYITURGHCWDC-VXGBXAGGSA-N 2 1 227.396 1.399 20 0 BDADMP CCc1nc(N[C@H](C)C[NH+](C)C)cc(C)[nH+]1 ZINC000304371106 357164138 /nfs/dbraw/zinc/16/41/38/357164138.db2.gz UUMZFXGBBMIDGC-SNVBAGLBSA-N 2 1 222.336 1.709 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000393774300 357298641 /nfs/dbraw/zinc/29/86/41/357298641.db2.gz WJQOGFCUNCMYQY-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP C(CN1CC[NH+](C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000393188245 357278536 /nfs/dbraw/zinc/27/85/36/357278536.db2.gz QWYAKNREOZYWKB-ZDUSSCGKSA-N 2 1 237.391 1.156 20 0 BDADMP c1c[nH+]c(N2CC[NH+](CC3CCCC3)CC2)[nH]1 ZINC000582524250 357334715 /nfs/dbraw/zinc/33/47/15/357334715.db2.gz VEZIOHNSPSYCJM-UHFFFAOYSA-N 2 1 234.347 1.722 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC(C)(C)C1 ZINC000395438328 357440499 /nfs/dbraw/zinc/44/04/99/357440499.db2.gz PIQZESDRZJCWLL-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000395438328 357440502 /nfs/dbraw/zinc/44/05/02/357440502.db2.gz PIQZESDRZJCWLL-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000631262584 357384173 /nfs/dbraw/zinc/38/41/73/357384173.db2.gz ICGVRHXASIGLDE-RKDXNWHRSA-N 2 1 222.254 1.621 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOC2)CC1(C)C ZINC000623408246 357404747 /nfs/dbraw/zinc/40/47/47/357404747.db2.gz OGXRKNXGAWXMSC-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC(C)(C)C1 ZINC000395438328 357440488 /nfs/dbraw/zinc/44/04/88/357440488.db2.gz PIQZESDRZJCWLL-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC(C)(C)C1 ZINC000395438328 357440494 /nfs/dbraw/zinc/44/04/94/357440494.db2.gz PIQZESDRZJCWLL-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000188565789 357562409 /nfs/dbraw/zinc/56/24/09/357562409.db2.gz PREDPNGXNSVWQA-DGCLKSJQSA-N 2 1 226.364 1.580 20 0 BDADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000230899549 357578867 /nfs/dbraw/zinc/57/88/67/357578867.db2.gz VLVZQTSHFOAMGE-ZIAGYGMSSA-N 2 1 248.374 1.179 20 0 BDADMP Fc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000230938681 357580802 /nfs/dbraw/zinc/58/08/02/357580802.db2.gz ZOQNRZUNGWITJI-NSHDSACASA-N 2 1 249.333 1.795 20 0 BDADMP Fc1cncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000230938681 357580806 /nfs/dbraw/zinc/58/08/06/357580806.db2.gz ZOQNRZUNGWITJI-NSHDSACASA-N 2 1 249.333 1.795 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000191590380 357786717 /nfs/dbraw/zinc/78/67/17/357786717.db2.gz AVOYZGXFTOFBHX-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP Cc1c[nH+]ccc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192927023 357853537 /nfs/dbraw/zinc/85/35/37/357853537.db2.gz FWCWXKCRBZWGMN-TXEJJXNPSA-N 2 1 217.316 1.388 20 0 BDADMP COCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584411098 357914031 /nfs/dbraw/zinc/91/40/31/357914031.db2.gz JFIXPMKUOIDQPA-CQSZACIVSA-N 2 1 240.391 1.879 20 0 BDADMP C[C@@H](O)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000583807827 357954715 /nfs/dbraw/zinc/95/47/15/357954715.db2.gz CRPSNSWLSHTVHL-WDEREUQCSA-N 2 1 214.353 1.220 20 0 BDADMP CCC1([NH+](C)C)CC[NH+]([C@@H](C)COC)CC1 ZINC000640016081 358069163 /nfs/dbraw/zinc/06/91/63/358069163.db2.gz SESYTDNDDAKRBV-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000217614772 134249517 /nfs/dbraw/zinc/24/95/17/134249517.db2.gz MZCIHUVLXBCLKW-WZRBSPASSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000217614772 134249518 /nfs/dbraw/zinc/24/95/18/134249518.db2.gz MZCIHUVLXBCLKW-WZRBSPASSA-N 2 1 225.380 1.186 20 0 BDADMP COCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000217747145 134249674 /nfs/dbraw/zinc/24/96/74/134249674.db2.gz RMZBIJVLGHGLDW-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)C2CC2)CC1(C)C ZINC000623418119 358062187 /nfs/dbraw/zinc/06/21/87/358062187.db2.gz CGWKSIWNBXSCLN-VXGBXAGGSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CC2)CC1(C)C ZINC000623418118 358062614 /nfs/dbraw/zinc/06/26/14/358062614.db2.gz CGWKSIWNBXSCLN-RYUDHWBXSA-N 2 1 226.364 1.220 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](C)O)CC1 ZINC000640015809 358069000 /nfs/dbraw/zinc/06/90/00/358069000.db2.gz OKVKTZDGACCOCK-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000217807244 134250474 /nfs/dbraw/zinc/25/04/74/134250474.db2.gz AUGOLHCDEJQADW-CABZTGNLSA-N 2 1 242.750 1.652 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000383518728 358117540 /nfs/dbraw/zinc/11/75/40/358117540.db2.gz IIEREASEJREYSM-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@@H](O)CCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450646198 202223438 /nfs/dbraw/zinc/22/34/38/202223438.db2.gz QUHLDWSUFMFSGE-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000040621043 358242846 /nfs/dbraw/zinc/24/28/46/358242846.db2.gz MWNVNYBRSMULSL-CQSZACIVSA-N 2 1 233.359 1.902 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000040621043 358242849 /nfs/dbraw/zinc/24/28/49/358242849.db2.gz MWNVNYBRSMULSL-CQSZACIVSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324887 358373013 /nfs/dbraw/zinc/37/30/13/358373013.db2.gz UCBXPFFQLGHLJE-RYUDHWBXSA-N 2 1 222.332 1.942 20 0 BDADMP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000227638835 358361236 /nfs/dbraw/zinc/36/12/36/358361236.db2.gz FKMNFEAFINMLJP-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCO2)C1 ZINC000173895578 134278642 /nfs/dbraw/zinc/27/86/42/134278642.db2.gz QUMBPHPURSNYRJ-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000173895578 134278643 /nfs/dbraw/zinc/27/86/43/134278643.db2.gz QUMBPHPURSNYRJ-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000045107881 358401124 /nfs/dbraw/zinc/40/11/24/358401124.db2.gz RWXAJOXRDSUNDZ-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000205144256 358442039 /nfs/dbraw/zinc/44/20/39/358442039.db2.gz VBYVLIDUYBHGIK-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000130158679 358610631 /nfs/dbraw/zinc/61/06/31/358610631.db2.gz YSKLKVARBULHFK-AVGNSLFASA-N 2 1 228.380 1.467 20 0 BDADMP C[NH2+]C1CC[NH+](CCOCCC(C)C)CC1 ZINC000049264652 358678771 /nfs/dbraw/zinc/67/87/71/358678771.db2.gz RJZLDHALKHPJMC-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000049313100 358681882 /nfs/dbraw/zinc/68/18/82/358681882.db2.gz IJPVRHAVVJWGLU-VIFPVBQESA-N 2 1 240.269 1.379 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000049313100 358681885 /nfs/dbraw/zinc/68/18/85/358681885.db2.gz IJPVRHAVVJWGLU-VIFPVBQESA-N 2 1 240.269 1.379 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000049554350 358694658 /nfs/dbraw/zinc/69/46/58/358694658.db2.gz CKPNOMJQOTWHTH-LLVKDONJSA-N 2 1 249.358 1.215 20 0 BDADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000133294574 358749597 /nfs/dbraw/zinc/74/95/97/358749597.db2.gz NAJIRSLXDSJTAR-QJPTWQEYSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000133294574 358749600 /nfs/dbraw/zinc/74/96/00/358749600.db2.gz NAJIRSLXDSJTAR-QJPTWQEYSA-N 2 1 225.380 1.151 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnn(C)c1 ZINC000133306991 358750578 /nfs/dbraw/zinc/75/05/78/358750578.db2.gz DDYNGEKRQULVTE-GFCCVEGCSA-N 2 1 224.352 1.225 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnn(C)c1 ZINC000133306991 358750580 /nfs/dbraw/zinc/75/05/80/358750580.db2.gz DDYNGEKRQULVTE-GFCCVEGCSA-N 2 1 224.352 1.225 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000051631495 358757260 /nfs/dbraw/zinc/75/72/60/358757260.db2.gz VBDZHRRHZWKXML-GJZGRUSLSA-N 2 1 248.370 1.056 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000222052061 358769597 /nfs/dbraw/zinc/76/95/97/358769597.db2.gz KPBMKOMEARGXFF-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000222052061 358769599 /nfs/dbraw/zinc/76/95/99/358769599.db2.gz KPBMKOMEARGXFF-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000222052061 358769600 /nfs/dbraw/zinc/76/96/00/358769600.db2.gz KPBMKOMEARGXFF-BFHYXJOUSA-N 3 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000222052061 358769603 /nfs/dbraw/zinc/76/96/03/358769603.db2.gz KPBMKOMEARGXFF-BFHYXJOUSA-N 3 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000222052061 358769605 /nfs/dbraw/zinc/76/96/05/358769605.db2.gz KPBMKOMEARGXFF-BFHYXJOUSA-N 3 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000222052061 358769607 /nfs/dbraw/zinc/76/96/07/358769607.db2.gz KPBMKOMEARGXFF-BFHYXJOUSA-N 3 1 239.407 1.401 20 0 BDADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000134714503 358802731 /nfs/dbraw/zinc/80/27/31/358802731.db2.gz ISVOZFUZQSFADW-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC1(C)C ZINC000623433107 358946666 /nfs/dbraw/zinc/94/66/66/358946666.db2.gz ZYCCRYWONJHBPA-RWMBFGLXSA-N 2 1 240.391 1.610 20 0 BDADMP COC(=O)CCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721168 359032411 /nfs/dbraw/zinc/03/24/11/359032411.db2.gz PFNQNNJSTUUUBI-LLVKDONJSA-N 2 1 228.336 1.143 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000069675779 359032991 /nfs/dbraw/zinc/03/29/91/359032991.db2.gz SJJUWQBDHZKWCJ-NDBYEHHHSA-N 2 1 228.380 1.323 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC000247885317 359247382 /nfs/dbraw/zinc/24/73/82/359247382.db2.gz CXDNQKBAEVVXLY-RYUDHWBXSA-N 2 1 243.395 1.173 20 0 BDADMP Cn1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623439660 359332456 /nfs/dbraw/zinc/33/24/56/359332456.db2.gz SDRXRPPLOUKIOF-CYBMUJFWSA-N 2 1 235.375 1.988 20 0 BDADMP CCc1nc(NCC(C)(C)[NH2+]C)cc(C)[nH+]1 ZINC000286090130 359351625 /nfs/dbraw/zinc/35/16/25/359351625.db2.gz DKYPZRBQEPHDCP-UHFFFAOYSA-N 2 1 222.336 1.757 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423503920 192797453 /nfs/dbraw/zinc/79/74/53/192797453.db2.gz NEXAQOPJXUJNOO-YPMHNXCESA-N 3 1 227.396 1.611 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCCC[C@H]1O ZINC000578539942 366594429 /nfs/dbraw/zinc/59/44/29/366594429.db2.gz KEYXRGXKSNCKFU-UPJWGTAASA-N 2 1 228.380 1.501 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)CO ZINC000451258924 202388330 /nfs/dbraw/zinc/38/83/30/202388330.db2.gz XCCRHEWLUQDAPM-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163835 359939058 /nfs/dbraw/zinc/93/90/58/359939058.db2.gz ICAWEVZTMNXWCD-AGUYFDCRSA-N 2 1 248.374 1.823 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000089150638 359993597 /nfs/dbraw/zinc/99/35/97/359993597.db2.gz LGNNXMHVRPBVRG-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000091662204 360122048 /nfs/dbraw/zinc/12/20/48/360122048.db2.gz DKUVEQLLGKRZQL-MCIONIFRSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000091662204 360122052 /nfs/dbraw/zinc/12/20/52/360122052.db2.gz DKUVEQLLGKRZQL-MCIONIFRSA-N 2 1 240.391 1.874 20 0 BDADMP CCC(CC)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666581 360122063 /nfs/dbraw/zinc/12/20/63/360122063.db2.gz IUTJINUXJMCUHD-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CCC(CC)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666581 360122066 /nfs/dbraw/zinc/12/20/66/360122066.db2.gz IUTJINUXJMCUHD-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)O ZINC000092982006 360208535 /nfs/dbraw/zinc/20/85/35/360208535.db2.gz NGTMBXNIVWDHLU-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)O ZINC000092982006 360208539 /nfs/dbraw/zinc/20/85/39/360208539.db2.gz NGTMBXNIVWDHLU-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC(C)(C)O ZINC000092982006 360208543 /nfs/dbraw/zinc/20/85/43/360208543.db2.gz NGTMBXNIVWDHLU-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000094722678 360316236 /nfs/dbraw/zinc/31/62/36/360316236.db2.gz XTEDWMXYUTYEFX-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000094722680 360316399 /nfs/dbraw/zinc/31/63/99/360316399.db2.gz XTEDWMXYUTYEFX-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631198922 360760692 /nfs/dbraw/zinc/76/06/92/360760692.db2.gz MWFJXJAOOCQSCP-MCIONIFRSA-N 2 1 240.391 1.754 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000161291350 200723395 /nfs/dbraw/zinc/72/33/95/200723395.db2.gz ZZRNIYBFWUEDNX-KBPBESRZSA-N 2 1 218.344 1.989 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CCCSC1 ZINC000629384737 361032737 /nfs/dbraw/zinc/03/27/37/361032737.db2.gz BNXZFBWSZWKAEM-WDEREUQCSA-N 2 1 226.389 1.756 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000629387528 361038655 /nfs/dbraw/zinc/03/86/55/361038655.db2.gz FADUVFGJIRCESI-MHDGFBEUSA-N 2 1 237.391 1.342 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000629390770 361045568 /nfs/dbraw/zinc/04/55/68/361045568.db2.gz XNOYOTLCXSGSQX-GARJFASQSA-N 2 1 214.378 1.612 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000629409671 361058522 /nfs/dbraw/zinc/05/85/22/361058522.db2.gz NEOTYQUVIMYQBF-IJLUTSLNSA-N 2 1 212.337 1.142 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629519283 361119958 /nfs/dbraw/zinc/11/99/58/361119958.db2.gz OITXLURMDLCRQV-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccnc1 ZINC000629522759 361123206 /nfs/dbraw/zinc/12/32/06/361123206.db2.gz AOBLIURALDBWSU-NSHDSACASA-N 2 1 235.331 1.240 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629526313 361127619 /nfs/dbraw/zinc/12/76/19/361127619.db2.gz POOZRFZQBGSCNX-OUAUKWLOSA-N 2 1 200.326 1.142 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158592119 361205706 /nfs/dbraw/zinc/20/57/06/361205706.db2.gz RPAOUPHJIWVZEA-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)[C@H](C)O1 ZINC000631221388 361379869 /nfs/dbraw/zinc/37/98/69/361379869.db2.gz GDSYOAZDQQIPCF-MDZLAQPJSA-N 2 1 249.358 1.803 20 0 BDADMP CCO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CC1 ZINC000629538172 361402415 /nfs/dbraw/zinc/40/24/15/361402415.db2.gz QXMWTAIGVQQWSE-ZMLRMANQSA-N 2 1 212.337 1.223 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CC1 ZINC000629538172 361402417 /nfs/dbraw/zinc/40/24/17/361402417.db2.gz QXMWTAIGVQQWSE-ZMLRMANQSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629535271 361410488 /nfs/dbraw/zinc/41/04/88/361410488.db2.gz CWNJVRCRXSCVTI-MMWGEVLESA-N 2 1 200.326 1.140 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000629534723 361408594 /nfs/dbraw/zinc/40/85/94/361408594.db2.gz AYTVTPFZCVZAMX-VXGBXAGGSA-N 2 1 228.380 1.765 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000629545826 361426562 /nfs/dbraw/zinc/42/65/62/361426562.db2.gz CTINFGMDYXOXRH-GHYVTOPFSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000629545827 361426731 /nfs/dbraw/zinc/42/67/31/361426731.db2.gz CTINFGMDYXOXRH-IGHBBLSQSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546256 361427456 /nfs/dbraw/zinc/42/74/56/361427456.db2.gz OSNBENQRXDSNND-JFGNBEQYSA-N 2 1 208.305 1.551 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1c[nH+]ccc1N ZINC000629546023 361427865 /nfs/dbraw/zinc/42/78/65/361427865.db2.gz FOWVBUBIYQUAGI-CHIMOYNISA-N 2 1 247.342 1.712 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCC2 ZINC000629546882 361428898 /nfs/dbraw/zinc/42/88/98/361428898.db2.gz YNTJAFMUWGNQGQ-LOWDOPEQSA-N 2 1 238.375 1.674 20 0 BDADMP CC1(C)CCC(C)(C)[N@@H+](CCOCC[NH3+])C1 ZINC000629544214 361435891 /nfs/dbraw/zinc/43/58/91/361435891.db2.gz GONBAMQOMAYOSL-UHFFFAOYSA-N 2 1 228.380 1.862 20 0 BDADMP C[N@@H+]1CCC[C@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000629551815 361443942 /nfs/dbraw/zinc/44/39/42/361443942.db2.gz XTCSEBDHTWAFJC-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000629551815 361443946 /nfs/dbraw/zinc/44/39/46/361443946.db2.gz XTCSEBDHTWAFJC-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP O[C@@H](C[NH2+][C@@H]1CCCC[C@H]1F)C[NH+]1CCCC1 ZINC000629580338 361466488 /nfs/dbraw/zinc/46/64/88/361466488.db2.gz QWUWFZUYURRZRE-YNEHKIRRSA-N 2 1 244.354 1.313 20 0 BDADMP Oc1cccc2c1CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000629582633 361473154 /nfs/dbraw/zinc/47/31/54/361473154.db2.gz VUSKARFSYBLHGD-LBPRGKRZSA-N 2 1 246.354 1.750 20 0 BDADMP Oc1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000629582633 361473157 /nfs/dbraw/zinc/47/31/57/361473157.db2.gz VUSKARFSYBLHGD-LBPRGKRZSA-N 2 1 246.354 1.750 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381557864 361481151 /nfs/dbraw/zinc/48/11/51/361481151.db2.gz PHGZNWWOVUBMQN-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP Cc1cnn(CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596300 361483901 /nfs/dbraw/zinc/48/39/01/361483901.db2.gz WERMHKPPJNFRNK-OKILXGFUSA-N 2 1 248.374 1.123 20 0 BDADMP Cc1cnn(CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596300 361483906 /nfs/dbraw/zinc/48/39/06/361483906.db2.gz WERMHKPPJNFRNK-OKILXGFUSA-N 2 1 248.374 1.123 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1C(F)(F)F ZINC000629561778 361456766 /nfs/dbraw/zinc/45/67/66/361456766.db2.gz JGZHHOKESWXCBW-ZJUUUORDSA-N 2 1 236.281 1.856 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1=CCCOC1 ZINC000629646809 361535246 /nfs/dbraw/zinc/53/52/46/361535246.db2.gz FDQRENKHNGAKRU-ZYHUDNBSSA-N 2 1 210.321 1.002 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629652018 361549527 /nfs/dbraw/zinc/54/95/27/361549527.db2.gz SMRINGNBAKYAMF-YPMHNXCESA-N 2 1 221.348 1.584 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000629653324 361553165 /nfs/dbraw/zinc/55/31/65/361553165.db2.gz ICYWWEMGNWISNW-LBPRGKRZSA-N 2 1 221.348 1.586 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000629653658 361553384 /nfs/dbraw/zinc/55/33/84/361553384.db2.gz LQVIPPZMJDXQGE-GFCCVEGCSA-N 2 1 230.396 1.836 20 0 BDADMP C1=C(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)COCC1 ZINC000629653939 361554495 /nfs/dbraw/zinc/55/44/95/361554495.db2.gz NLDSFZGJMJVUBL-OKILXGFUSA-N 2 1 236.359 1.265 20 0 BDADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])ccc1F ZINC000629661584 361594506 /nfs/dbraw/zinc/59/45/06/361594506.db2.gz CTRMAWXMMUYGTF-UHFFFAOYSA-N 2 1 240.322 1.541 20 0 BDADMP COc1ccsc1C[N@@H+](C)CCOCC[NH3+] ZINC000629665319 361587541 /nfs/dbraw/zinc/58/75/41/361587541.db2.gz URPSUAPTQIIZNZ-UHFFFAOYSA-N 2 1 244.360 1.164 20 0 BDADMP CC[N@@H+](C[C@H]1CCCOC1)[C@H]1CCC[NH2+]CC1 ZINC000435388715 201266782 /nfs/dbraw/zinc/26/67/82/201266782.db2.gz GWEIRQQMOCSVOY-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+](Cc1cncn1C)[C@@H]1CCC[NH2+]CC1 ZINC000435393096 201267642 /nfs/dbraw/zinc/26/76/42/201267642.db2.gz YWYDZAJMRBTREV-GFCCVEGCSA-N 2 1 236.363 1.384 20 0 BDADMP CC[N@@H+](Cc1cncn1C)[C@@H]1CCC[NH2+]CC1 ZINC000435393096 201267644 /nfs/dbraw/zinc/26/76/44/201267644.db2.gz YWYDZAJMRBTREV-GFCCVEGCSA-N 2 1 236.363 1.384 20 0 BDADMP CC[N@H+](Cc1c[nH]nc1C)[C@H]1CCC[NH2+]CC1 ZINC000435389289 201268202 /nfs/dbraw/zinc/26/82/02/201268202.db2.gz JTIIMNZZRHETET-ZDUSSCGKSA-N 2 1 236.363 1.682 20 0 BDADMP CC[N@@H+](Cc1c[nH]nc1C)[C@H]1CCC[NH2+]CC1 ZINC000435389289 201268204 /nfs/dbraw/zinc/26/82/04/201268204.db2.gz JTIIMNZZRHETET-ZDUSSCGKSA-N 2 1 236.363 1.682 20 0 BDADMP CCC[NH+]1CCC(NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000154505757 201281782 /nfs/dbraw/zinc/28/17/82/201281782.db2.gz FFGLPSFHCYKLOF-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000154505757 201281785 /nfs/dbraw/zinc/28/17/85/201281785.db2.gz FFGLPSFHCYKLOF-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000435886179 201293701 /nfs/dbraw/zinc/29/37/01/201293701.db2.gz UBGOEWABNPSTGV-GFCCVEGCSA-N 2 1 222.336 1.130 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438207649 201397736 /nfs/dbraw/zinc/39/77/36/201397736.db2.gz AEBULTOZUMXLBR-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+]CC(F)(F)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000332430398 181357848 /nfs/dbraw/zinc/35/78/48/181357848.db2.gz VDHVMHFBSAGJTE-GMTAPVOTSA-N 2 1 247.333 1.091 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000630546654 364240267 /nfs/dbraw/zinc/24/02/67/364240267.db2.gz RJNOQMYXEAPISP-GXSJLCMTSA-N 2 1 247.346 1.461 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000134175125 364393063 /nfs/dbraw/zinc/39/30/63/364393063.db2.gz DEXYZMVVYNNAPC-WDEREUQCSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C[NH2+]1 ZINC000398974868 364401693 /nfs/dbraw/zinc/40/16/93/364401693.db2.gz YINATEPZESDALC-CABZTGNLSA-N 2 1 208.349 1.905 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000095072722 181365558 /nfs/dbraw/zinc/36/55/58/181365558.db2.gz PQYIYNPIHSGLEN-UHFFFAOYSA-N 2 1 240.738 1.301 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1CCOC1)C1CC1 ZINC000453413912 202767793 /nfs/dbraw/zinc/76/77/93/202767793.db2.gz WTEXMMKDAUYIJK-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C[NH2+]1 ZINC000398994564 364667378 /nfs/dbraw/zinc/66/73/78/364667378.db2.gz NXDZCYAVUYTQQW-VOBJUBJWSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC000399080708 364782698 /nfs/dbraw/zinc/78/26/98/364782698.db2.gz RRZGPSISTSJJBD-VOAKCMCISA-N 2 1 225.380 1.199 20 0 BDADMP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336897529 364850374 /nfs/dbraw/zinc/85/03/74/364850374.db2.gz PJDQGUBOSYMZLD-AAEUAGOBSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000328518997 364862876 /nfs/dbraw/zinc/86/28/76/364862876.db2.gz QUWOFLBYMHDDDO-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000328518997 364862878 /nfs/dbraw/zinc/86/28/78/364862878.db2.gz QUWOFLBYMHDDDO-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCn1ccnc1 ZINC000574031244 364971221 /nfs/dbraw/zinc/97/12/21/364971221.db2.gz HNDNXOSMPHAKCG-CHWSQXEVSA-N 2 1 236.363 1.251 20 0 BDADMP C[C@H](C[NH3+])N(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000574037948 364972515 /nfs/dbraw/zinc/97/25/15/364972515.db2.gz OCKWOSWEDPTUHX-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000574164479 364999478 /nfs/dbraw/zinc/99/94/78/364999478.db2.gz LHTVZHUHPLGZFW-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574284823 365028653 /nfs/dbraw/zinc/02/86/53/365028653.db2.gz WSVFNEHWZAFCQJ-UHFFFAOYSA-N 3 1 247.386 1.374 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574284823 365028658 /nfs/dbraw/zinc/02/86/58/365028658.db2.gz WSVFNEHWZAFCQJ-UHFFFAOYSA-N 3 1 247.386 1.374 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000442928014 193005415 /nfs/dbraw/zinc/00/54/15/193005415.db2.gz PAWYIXSTWLJVJQ-STQMWFEESA-N 2 1 225.380 1.047 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CCOCC1 ZINC000399085056 365428686 /nfs/dbraw/zinc/42/86/86/365428686.db2.gz UGFOWHXWKPRJCR-WZRBSPASSA-N 2 1 226.364 1.532 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCOCC1 ZINC000576129119 365496237 /nfs/dbraw/zinc/49/62/37/365496237.db2.gz ZEVDBWPSLKMAIL-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000157550325 541488965 /nfs/dbraw/zinc/48/89/65/541488965.db2.gz MXMPHEBCPCSQRV-SDDRHHMPSA-N 2 1 226.364 1.362 20 0 BDADMP C(C1CCC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887776 370852485 /nfs/dbraw/zinc/85/24/85/370852485.db2.gz QGVDHSQRBYQSAE-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C(C1CCC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887776 370852489 /nfs/dbraw/zinc/85/24/89/370852489.db2.gz QGVDHSQRBYQSAE-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132214 367271954 /nfs/dbraw/zinc/27/19/54/367271954.db2.gz DGGZHVPVMOWURG-IUODEOHRSA-N 3 1 247.386 1.575 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132214 367271960 /nfs/dbraw/zinc/27/19/60/367271960.db2.gz DGGZHVPVMOWURG-IUODEOHRSA-N 2 1 247.386 1.575 20 0 BDADMP CC[C@H]1C[N@@H+](C)CCN1c1ncnc2[nH]ccc21 ZINC000581323057 367348163 /nfs/dbraw/zinc/34/81/63/367348163.db2.gz PUWDBVQBKVHVNQ-JTQLQIEISA-N 2 1 245.330 1.488 20 0 BDADMP Cc1[nH+]cn(C[C@H](O)C[N@@H+](C)C(C)C)c1C ZINC000381076749 367348797 /nfs/dbraw/zinc/34/87/97/367348797.db2.gz QGRHGXKJRCKCCS-GFCCVEGCSA-N 2 1 225.336 1.201 20 0 BDADMP Cc1[nH+]cn(C[C@H](O)C[N@H+](C)C(C)C)c1C ZINC000381076749 367348801 /nfs/dbraw/zinc/34/88/01/367348801.db2.gz QGRHGXKJRCKCCS-GFCCVEGCSA-N 2 1 225.336 1.201 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)CCO1 ZINC000381378368 367391786 /nfs/dbraw/zinc/39/17/86/367391786.db2.gz JQZFYBMSSHLJPC-WDEREUQCSA-N 2 1 223.320 1.120 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1sccc1C ZINC000581374842 367405728 /nfs/dbraw/zinc/40/57/28/367405728.db2.gz DNRNEMSRILKZPH-LBPRGKRZSA-N 2 1 242.388 1.459 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1sccc1C ZINC000581374842 367405732 /nfs/dbraw/zinc/40/57/32/367405732.db2.gz DNRNEMSRILKZPH-LBPRGKRZSA-N 2 1 242.388 1.459 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000381460776 367408962 /nfs/dbraw/zinc/40/89/62/367408962.db2.gz KZFUYTQOLTXLAL-PWSUYJOCSA-N 2 1 221.348 1.987 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000381199507 367363415 /nfs/dbraw/zinc/36/34/15/367363415.db2.gz ATJRVYKMEZLMFT-OLZOCXBDSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000381199507 367363420 /nfs/dbraw/zinc/36/34/20/367363420.db2.gz ATJRVYKMEZLMFT-OLZOCXBDSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000581489206 367518861 /nfs/dbraw/zinc/51/88/61/367518861.db2.gz PJBQJACLSLIDAG-AVGNSLFASA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCOCC[NH3+] ZINC000384048547 367669368 /nfs/dbraw/zinc/66/93/68/367669368.db2.gz RTCBXWCUYYTDLR-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000384910882 367756514 /nfs/dbraw/zinc/75/65/14/367756514.db2.gz BVIJSEVGJPSDRB-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000385077128 367784215 /nfs/dbraw/zinc/78/42/15/367784215.db2.gz XTHJIYABESNUDG-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH3+])[C@@H]2C)c1C ZINC000385149242 367802023 /nfs/dbraw/zinc/80/20/23/367802023.db2.gz YPQRTIYPABYNTM-RYUDHWBXSA-N 2 1 249.358 1.629 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSCC[C@H]1C ZINC000385409389 367826882 /nfs/dbraw/zinc/82/68/82/367826882.db2.gz SWXFYMYJPRANSO-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSCC[C@H]1C ZINC000385409389 367826891 /nfs/dbraw/zinc/82/68/91/367826891.db2.gz SWXFYMYJPRANSO-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@H]([NH2+]CCc1ccn(C)n1)[C@H]1CCCC[NH2+]1 ZINC000386066353 367907779 /nfs/dbraw/zinc/90/77/79/367907779.db2.gz YMOWEYIYSVJPSJ-WCQYABFASA-N 2 1 236.363 1.083 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000386161141 367922571 /nfs/dbraw/zinc/92/25/71/367922571.db2.gz UUUQOPCGUPUFNE-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]([NH2+]CCc1cccnc1)[C@H]1CCCC[NH2+]1 ZINC000386543191 367988904 /nfs/dbraw/zinc/98/89/04/367988904.db2.gz DWAXDCUBWLUENN-TZMCWYRMSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)O1 ZINC000252866634 368161478 /nfs/dbraw/zinc/16/14/78/368161478.db2.gz QLQLWIOACUPGDD-XHJNMGKDSA-N 2 1 238.375 1.613 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2nccs2)CC[NH2+]1 ZINC000387300644 368144779 /nfs/dbraw/zinc/14/47/79/368144779.db2.gz NIJPGSMRTAFDJL-WDEREUQCSA-N 2 1 239.388 1.963 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000084534570 368857082 /nfs/dbraw/zinc/85/70/82/368857082.db2.gz NFWKALUNAOXHHG-UHFFFAOYSA-N 2 1 236.315 1.238 20 0 BDADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086401884 368880318 /nfs/dbraw/zinc/88/03/18/368880318.db2.gz FHFMPTRGGSRJMV-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656967 368997525 /nfs/dbraw/zinc/99/75/25/368997525.db2.gz GZCQFSISQPKPLW-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000631829101 369003762 /nfs/dbraw/zinc/00/37/62/369003762.db2.gz GYEYMLVSUORCFS-RISCZKNCSA-N 2 1 248.374 1.734 20 0 BDADMP CCN(C)C(=O)CC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834647 369033065 /nfs/dbraw/zinc/03/30/65/369033065.db2.gz CGYKZNADBBUKEJ-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP CCN(C)C(=O)CC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834647 369033071 /nfs/dbraw/zinc/03/30/71/369033071.db2.gz CGYKZNADBBUKEJ-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP CC[C@H]1C[N@H+](Cc2nccnc2C)CC[C@@H]1[NH3+] ZINC000631824913 368987686 /nfs/dbraw/zinc/98/76/86/368987686.db2.gz UEVSIOUPKQFSRU-RYUDHWBXSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2nccnc2C)CC[C@@H]1[NH3+] ZINC000631824913 368987694 /nfs/dbraw/zinc/98/76/94/368987694.db2.gz UEVSIOUPKQFSRU-RYUDHWBXSA-N 2 1 234.347 1.344 20 0 BDADMP Cn1cccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656593 368993419 /nfs/dbraw/zinc/99/34/19/368993419.db2.gz XYDFNPNPXTVMRH-CYBMUJFWSA-N 2 1 235.375 1.847 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000567654236 326239473 /nfs/dbraw/zinc/23/94/73/326239473.db2.gz BZQSODYRWFWUDH-GXSJLCMTSA-N 2 1 208.309 1.202 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459522172 203295376 /nfs/dbraw/zinc/29/53/76/203295376.db2.gz HOLKBQYAIYKMJI-XQJDBVBESA-N 2 1 238.375 1.530 20 0 BDADMP CC(C)[C@H](O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459420538 203278113 /nfs/dbraw/zinc/27/81/13/203278113.db2.gz XZXZDMHEHPRDMN-CQSZACIVSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459420535 203278681 /nfs/dbraw/zinc/27/86/81/203278681.db2.gz XZXZDMHEHPRDMN-AWEZNQCLSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000459725017 203341730 /nfs/dbraw/zinc/34/17/30/203341730.db2.gz AWJXLIWBAVECNP-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP Cn1cncc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459727731 203341755 /nfs/dbraw/zinc/34/17/55/203341755.db2.gz HGIOEYAKCFXRSF-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCSC2)C1 ZINC000459722418 203342186 /nfs/dbraw/zinc/34/21/86/203342186.db2.gz BHQAUPXNXXKSQU-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2=CCCOC2)C1 ZINC000459734190 203346327 /nfs/dbraw/zinc/34/63/27/203346327.db2.gz OHIGKVBDVAGSAZ-CYBMUJFWSA-N 2 1 238.375 1.655 20 0 BDADMP CN1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459741233 203349233 /nfs/dbraw/zinc/34/92/33/203349233.db2.gz VFLSDPKMYGVKIE-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459741233 203349236 /nfs/dbraw/zinc/34/92/36/203349236.db2.gz VFLSDPKMYGVKIE-CYBMUJFWSA-N 3 1 239.407 1.402 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459741233 203349240 /nfs/dbraw/zinc/34/92/40/203349240.db2.gz VFLSDPKMYGVKIE-CYBMUJFWSA-N 3 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H](C)O1 ZINC000459794380 203369660 /nfs/dbraw/zinc/36/96/60/203369660.db2.gz UOBFMHDCYBNBQL-RFGFWPKPSA-N 2 1 240.391 1.874 20 0 BDADMP FC(F)COCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889754 370990934 /nfs/dbraw/zinc/99/09/34/370990934.db2.gz MEMBZAYGCYDVTQ-GHMZBOCLSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)COCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889754 370990937 /nfs/dbraw/zinc/99/09/37/370990937.db2.gz MEMBZAYGCYDVTQ-GHMZBOCLSA-N 2 1 248.317 1.342 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCF)CC12CCOCC2 ZINC000567894801 326278419 /nfs/dbraw/zinc/27/84/19/326278419.db2.gz VIPJEPXWIYZBQE-NSHDSACASA-N 2 1 230.327 1.033 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCOC1(C)C ZINC000314870803 326310928 /nfs/dbraw/zinc/31/09/28/326310928.db2.gz KJDYMLQVIMLGGM-LBPRGKRZSA-N 2 1 237.347 1.510 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621379037 370322679 /nfs/dbraw/zinc/32/26/79/370322679.db2.gz KKGIXYCRFZEBJG-VIFPVBQESA-N 2 1 218.291 1.716 20 0 BDADMP Cc1cc(C[NH2+]CC2([NH3+])CCC2)ccn1 ZINC000621775316 370516938 /nfs/dbraw/zinc/51/69/38/370516938.db2.gz LNFUFFBNYUGASD-UHFFFAOYSA-N 2 1 205.305 1.361 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000621775055 370521313 /nfs/dbraw/zinc/52/13/13/370521313.db2.gz FCKQMOCYODDTCF-AWEZNQCLSA-N 2 1 248.374 1.131 20 0 BDADMP CCn1cc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000621775387 370522785 /nfs/dbraw/zinc/52/27/85/370522785.db2.gz NNWNEJXOSRULNY-UONOGXRCSA-N 2 1 248.374 1.129 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000621775387 370522786 /nfs/dbraw/zinc/52/27/86/370522786.db2.gz NNWNEJXOSRULNY-UONOGXRCSA-N 2 1 248.374 1.129 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccn1 ZINC000621775795 370522795 /nfs/dbraw/zinc/52/27/95/370522795.db2.gz YYVXXWMFBUNHSI-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP CCn1nccc1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000621776557 370524104 /nfs/dbraw/zinc/52/41/04/370524104.db2.gz ONFTXSWXSYAUEC-UHFFFAOYSA-N 2 1 248.374 1.273 20 0 BDADMP CCCCOCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779302 370529214 /nfs/dbraw/zinc/52/92/14/370529214.db2.gz COTVNKOAGKRFOA-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779302 370529219 /nfs/dbraw/zinc/52/92/19/370529219.db2.gz COTVNKOAGKRFOA-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H]1C[C@H](NCc2ccc[nH]c2=O)C[N@@H+]1C1CC1 ZINC000623777949 371088993 /nfs/dbraw/zinc/08/89/93/371088993.db2.gz YGAMIDPUOIYWGR-JQWIXIFHSA-N 2 1 247.342 1.502 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC1(C)C ZINC000623992046 371225557 /nfs/dbraw/zinc/22/55/57/371225557.db2.gz AGUAHZCMLJHWPA-FRRDWIJNSA-N 2 1 240.391 1.610 20 0 BDADMP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)on1 ZINC000631063221 371235651 /nfs/dbraw/zinc/23/56/51/371235651.db2.gz IUEBMBGTWIJNKH-JTQLQIEISA-N 2 1 248.330 1.914 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624121565 371322719 /nfs/dbraw/zinc/32/27/19/371322719.db2.gz YCDAOMTVHCDZAJ-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122903 371324784 /nfs/dbraw/zinc/32/47/84/371324784.db2.gz AVLLPKVRGDJPOX-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H]2CCC[C@H]21 ZINC000624216844 371403816 /nfs/dbraw/zinc/40/38/16/371403816.db2.gz RXUAAMCHMLWNBN-XHJNMGKDSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@@H+]1C ZINC000624258377 371445211 /nfs/dbraw/zinc/44/52/11/371445211.db2.gz IHSJNJQTUUDRAN-PWSUYJOCSA-N 2 1 235.331 1.360 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@H+]1C ZINC000624258377 371445214 /nfs/dbraw/zinc/44/52/14/371445214.db2.gz IHSJNJQTUUDRAN-PWSUYJOCSA-N 2 1 235.331 1.360 20 0 BDADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000096544062 371503859 /nfs/dbraw/zinc/50/38/59/371503859.db2.gz ONFNNPAMYXBIHI-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000226670269 371719388 /nfs/dbraw/zinc/71/93/88/371719388.db2.gz SSCOMXVEGUVBQE-AXFHLTTASA-N 2 1 214.378 1.422 20 0 BDADMP Cc1ccc(O)c(C[NH2+]CCc2c[nH+]cn2C)n1 ZINC000401822512 371823009 /nfs/dbraw/zinc/82/30/09/371823009.db2.gz GNSCRXCNSUGIRE-UHFFFAOYSA-N 2 1 246.314 1.161 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(CCOC2)C1 ZINC000163263099 371962393 /nfs/dbraw/zinc/96/23/93/371962393.db2.gz POZQOGOLHROHTF-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000163263099 371962401 /nfs/dbraw/zinc/96/24/01/371962401.db2.gz POZQOGOLHROHTF-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000163263099 371962406 /nfs/dbraw/zinc/96/24/06/371962406.db2.gz POZQOGOLHROHTF-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000631822042 372596581 /nfs/dbraw/zinc/59/65/81/372596581.db2.gz RCKGMUIHXMMRKK-WDEREUQCSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631821700 372596949 /nfs/dbraw/zinc/59/69/49/372596949.db2.gz GFZLPTJRAXNRSS-ZYHUDNBSSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631821700 372596950 /nfs/dbraw/zinc/59/69/50/372596950.db2.gz GFZLPTJRAXNRSS-ZYHUDNBSSA-N 2 1 234.347 1.344 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822083 372599235 /nfs/dbraw/zinc/59/92/35/372599235.db2.gz SDIBYOXXGHSFMP-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822083 372599244 /nfs/dbraw/zinc/59/92/44/372599244.db2.gz SDIBYOXXGHSFMP-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC000631829601 372610841 /nfs/dbraw/zinc/61/08/41/372610841.db2.gz VSCQOOIUTCTXHJ-WHXUTIOJSA-N 2 1 230.302 1.845 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC000631829601 372610846 /nfs/dbraw/zinc/61/08/46/372610846.db2.gz VSCQOOIUTCTXHJ-WHXUTIOJSA-N 2 1 230.302 1.845 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000631829273 372611687 /nfs/dbraw/zinc/61/16/87/372611687.db2.gz MJBWJGWBMNPGHR-VHSXEESVSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000631830534 372613283 /nfs/dbraw/zinc/61/32/83/372613283.db2.gz UZRMBZNSXJWZLB-UMSGYPCISA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCCCO1)C2 ZINC000631830667 372614275 /nfs/dbraw/zinc/61/42/75/372614275.db2.gz YMVANNUNFRUACK-UPJWGTAASA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCCCO1)C2 ZINC000631830667 372614278 /nfs/dbraw/zinc/61/42/78/372614278.db2.gz YMVANNUNFRUACK-UPJWGTAASA-N 2 1 224.348 1.369 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000631831647 372616047 /nfs/dbraw/zinc/61/60/47/372616047.db2.gz LAUGAPAFCZCNQA-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@@H]1CCCCCN(CC2CC[NH2+]CC2)C1 ZINC000631831647 372616052 /nfs/dbraw/zinc/61/60/52/372616052.db2.gz LAUGAPAFCZCNQA-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP N[C@H]1CCCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000631833606 372618998 /nfs/dbraw/zinc/61/89/98/372618998.db2.gz DRGJAJXFGGRDON-AWEZNQCLSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+][C@H]1CCCCCN(CCC2CC[NH2+]CC2)C1 ZINC000631833606 372619000 /nfs/dbraw/zinc/61/90/00/372619000.db2.gz DRGJAJXFGGRDON-AWEZNQCLSA-N 2 1 239.407 1.579 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836886 372624274 /nfs/dbraw/zinc/62/42/74/372624274.db2.gz IPJVBNVXVQCSHA-GXTWGEPZSA-N 2 1 218.344 1.756 20 0 BDADMP C[C@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836566 372624647 /nfs/dbraw/zinc/62/46/47/372624647.db2.gz BRDXYKONKARCCD-DZGCQCFKSA-N 2 1 248.370 1.730 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837457 372627110 /nfs/dbraw/zinc/62/71/10/372627110.db2.gz SLRPOPNZUSZDBJ-DGCLKSJQSA-N 2 1 219.332 1.417 20 0 BDADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865622 372666896 /nfs/dbraw/zinc/66/68/96/372666896.db2.gz FACKKVYKOGINLZ-UHFFFAOYSA-N 2 1 248.370 1.541 20 0 BDADMP CO[C@@H](C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)C1CCC1 ZINC000631866991 372668117 /nfs/dbraw/zinc/66/81/17/372668117.db2.gz FYDHAPJDDNURPN-RDBSUJKOSA-N 2 1 238.375 1.533 20 0 BDADMP C(C[C@H]1CCC[NH2+]C1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868180 372670732 /nfs/dbraw/zinc/67/07/32/372670732.db2.gz ZQNHSPLMNSITMJ-MCIONIFRSA-N 2 1 237.391 1.108 20 0 BDADMP c1cncc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631891034 372686998 /nfs/dbraw/zinc/68/69/98/372686998.db2.gz XLUCLDJSTFASCY-HUUCEWRRSA-N 2 1 245.370 1.698 20 0 BDADMP C[C@@H]1CC[N@H+](C2CCSCC2)C[C@@H]1[NH3+] ZINC000069718453 373646627 /nfs/dbraw/zinc/64/66/27/373646627.db2.gz UXDFSWBYLJGFOP-KOLCDFICSA-N 2 1 214.378 1.551 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)CC[N@H+]1C ZINC000194032065 206001552 /nfs/dbraw/zinc/00/15/52/206001552.db2.gz OYQDYBQLKJBDKU-ZJUUUORDSA-N 2 1 236.306 1.688 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCOC(F)F)CC[N@H+]1C ZINC000194032054 206001854 /nfs/dbraw/zinc/00/18/54/206001854.db2.gz OYQDYBQLKJBDKU-VHSXEESVSA-N 2 1 236.306 1.688 20 0 BDADMP OC1(C[NH+]2CCC([NH+]3CCCC3)CC2)CCC1 ZINC000336712424 183019092 /nfs/dbraw/zinc/01/90/92/183019092.db2.gz RXWUIBXPTAHKKU-UHFFFAOYSA-N 2 1 238.375 1.462 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@H](C)CC ZINC000359267307 169070705 /nfs/dbraw/zinc/07/07/05/169070705.db2.gz VEYDCPJQSFRFDR-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000359267307 169070706 /nfs/dbraw/zinc/07/07/06/169070706.db2.gz VEYDCPJQSFRFDR-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000359267307 169070708 /nfs/dbraw/zinc/07/07/08/169070708.db2.gz VEYDCPJQSFRFDR-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000037097932 169075424 /nfs/dbraw/zinc/07/54/24/169075424.db2.gz JUFCTVKCOHDPIZ-UHFFFAOYSA-N 2 1 235.331 1.426 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC000336701865 169078610 /nfs/dbraw/zinc/07/86/10/169078610.db2.gz JYTVYSSVAOGTKD-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336701865 169078611 /nfs/dbraw/zinc/07/86/11/169078611.db2.gz JYTVYSSVAOGTKD-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336701865 169078613 /nfs/dbraw/zinc/07/86/13/169078613.db2.gz JYTVYSSVAOGTKD-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408266 183291736 /nfs/dbraw/zinc/29/17/36/183291736.db2.gz QUFQKQGBPBKFIU-ZDUSSCGKSA-N 2 1 246.354 1.966 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCC[C@H](C)O)CC1 ZINC000336722928 169187062 /nfs/dbraw/zinc/18/70/62/169187062.db2.gz TXULEIRIAFBMGL-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000109787913 169187157 /nfs/dbraw/zinc/18/71/57/169187157.db2.gz BRYBQWFNHIBFGH-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP c1[nH]nc2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000333234863 183320795 /nfs/dbraw/zinc/32/07/95/183320795.db2.gz CVHAWEYMLGWHQH-VXGBXAGGSA-N 2 1 234.347 1.519 20 0 BDADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000328531740 169189798 /nfs/dbraw/zinc/18/97/98/169189798.db2.gz XTIGUEGOFHOKCS-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)C2)CC1 ZINC000042543907 169190017 /nfs/dbraw/zinc/19/00/17/169190017.db2.gz BOFNKVLZXSJNIQ-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000042543907 169190018 /nfs/dbraw/zinc/19/00/18/169190018.db2.gz BOFNKVLZXSJNIQ-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000336285708 183327452 /nfs/dbraw/zinc/32/74/52/183327452.db2.gz WSJNSFGDJPHRRV-LBPRGKRZSA-N 2 1 234.347 1.546 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000353970472 169197422 /nfs/dbraw/zinc/19/74/22/169197422.db2.gz DXTSPDXPYGOSOB-ROKHWSDSSA-N 2 1 240.391 1.754 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000353970472 169197423 /nfs/dbraw/zinc/19/74/23/169197423.db2.gz DXTSPDXPYGOSOB-ROKHWSDSSA-N 2 1 240.391 1.754 20 0 BDADMP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000031994517 183346426 /nfs/dbraw/zinc/34/64/26/183346426.db2.gz AHUKMHUWCCBOIL-CYBMUJFWSA-N 2 1 217.316 1.267 20 0 BDADMP c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000031994517 183346428 /nfs/dbraw/zinc/34/64/28/183346428.db2.gz AHUKMHUWCCBOIL-CYBMUJFWSA-N 2 1 217.316 1.267 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340205446 169207348 /nfs/dbraw/zinc/20/73/48/169207348.db2.gz XLRPLHCBTBMFGD-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000161764969 169209013 /nfs/dbraw/zinc/20/90/13/169209013.db2.gz AOJMNDMIMQRAPE-CYBMUJFWSA-N 2 1 235.375 1.847 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c[nH]1 ZINC000227495717 183352206 /nfs/dbraw/zinc/35/22/06/183352206.db2.gz FZCUACCMZRXDDW-OLZOCXBDSA-N 2 1 219.332 1.731 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c[nH]1 ZINC000227495717 183352209 /nfs/dbraw/zinc/35/22/09/183352209.db2.gz FZCUACCMZRXDDW-OLZOCXBDSA-N 2 1 219.332 1.731 20 0 BDADMP c1cc2c(cc1C[NH2+]C1CC[NH2+]CC1)OCCO2 ZINC000038040634 183368535 /nfs/dbraw/zinc/36/85/35/183368535.db2.gz JMQKYCZFZQTBHB-UHFFFAOYSA-N 2 1 248.326 1.299 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336727506 169379617 /nfs/dbraw/zinc/37/96/17/169379617.db2.gz HHNDLENMTCYQBI-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336727506 169379619 /nfs/dbraw/zinc/37/96/19/169379619.db2.gz HHNDLENMTCYQBI-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000179308636 134320289 /nfs/dbraw/zinc/32/02/89/134320289.db2.gz YEODWFGIHNHRNY-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000179308636 134320290 /nfs/dbraw/zinc/32/02/90/134320290.db2.gz YEODWFGIHNHRNY-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224479869 134348277 /nfs/dbraw/zinc/34/82/77/134348277.db2.gz BHQMOEHPLKPLMC-WOPDTQHZSA-N 2 1 228.405 1.669 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000309328941 383880934 /nfs/dbraw/zinc/88/09/34/383880934.db2.gz HGYPIKBXHMEASL-RWMBFGLXSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000309328941 383880942 /nfs/dbraw/zinc/88/09/42/383880942.db2.gz HGYPIKBXHMEASL-RWMBFGLXSA-N 2 1 228.380 1.730 20 0 BDADMP COC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000347795100 383876034 /nfs/dbraw/zinc/87/60/34/383876034.db2.gz ZSDLWABDJDLXAN-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CN(CCC[N@@H+](C)CC1(F)CC1)CC[NH+](C)C ZINC000558424730 383995866 /nfs/dbraw/zinc/99/58/66/383995866.db2.gz BGDDWVUUMSFSLG-UHFFFAOYSA-N 2 1 245.386 1.304 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000400233463 383943898 /nfs/dbraw/zinc/94/38/98/383943898.db2.gz SXLRCJADUIIUPS-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000401787174 384004250 /nfs/dbraw/zinc/00/42/50/384004250.db2.gz LMTMTZNFLNGVDF-NEPJUHHUSA-N 2 1 214.353 1.484 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000091007362 384088874 /nfs/dbraw/zinc/08/88/74/384088874.db2.gz AWQRTRKBMNMPMV-UHFFFAOYSA-N 2 1 235.375 1.988 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+]CCc1c[nH+]cn1C ZINC000560355595 384091076 /nfs/dbraw/zinc/09/10/76/384091076.db2.gz DYSYCHWLQKGQLQ-LLVKDONJSA-N 2 1 233.315 1.776 20 0 BDADMP Cn1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000091008380 384093325 /nfs/dbraw/zinc/09/33/25/384093325.db2.gz DSMYSUBIJFLOMZ-UHFFFAOYSA-N 2 1 233.359 1.742 20 0 BDADMP C[C@H](CSCC[NH+]1CCOCC1)[NH+](C)C ZINC000358865648 384202290 /nfs/dbraw/zinc/20/22/90/384202290.db2.gz NMABSBYGHBLDGP-LLVKDONJSA-N 2 1 232.393 1.002 20 0 BDADMP Cn1cccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089320 384210338 /nfs/dbraw/zinc/21/03/38/384210338.db2.gz ACTHJKXBURZNJJ-UHFFFAOYSA-N 2 1 235.375 1.799 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000069626579 384247333 /nfs/dbraw/zinc/24/73/33/384247333.db2.gz BNGXQTPMSKCKFQ-LBPRGKRZSA-N 2 1 219.332 1.642 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)C2)[C@@H](C)C1 ZINC000566216247 384255057 /nfs/dbraw/zinc/25/50/57/384255057.db2.gz XDIOLUBRNQEHKK-RNJOBUHISA-N 2 1 226.364 1.484 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC000228474042 384257794 /nfs/dbraw/zinc/25/77/94/384257794.db2.gz MSRUTIOSCBMISJ-OPRDCNLKSA-N 2 1 236.281 1.998 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000558726697 384264992 /nfs/dbraw/zinc/26/49/92/384264992.db2.gz GAPUTSJMFHFVNH-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)s1 ZINC000313335121 384267061 /nfs/dbraw/zinc/26/70/61/384267061.db2.gz HGIHZMCKFSAAKK-LLVKDONJSA-N 2 1 240.372 1.606 20 0 BDADMP Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)s1 ZINC000313335121 384267065 /nfs/dbraw/zinc/26/70/65/384267065.db2.gz HGIHZMCKFSAAKK-LLVKDONJSA-N 2 1 240.372 1.606 20 0 BDADMP Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)s1 ZINC000313335122 384267333 /nfs/dbraw/zinc/26/73/33/384267333.db2.gz HGIHZMCKFSAAKK-NSHDSACASA-N 2 1 240.372 1.606 20 0 BDADMP Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)s1 ZINC000313335122 384267339 /nfs/dbraw/zinc/26/73/39/384267339.db2.gz HGIHZMCKFSAAKK-NSHDSACASA-N 2 1 240.372 1.606 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](Cc2cccs2)CCCO1 ZINC000313376869 384305712 /nfs/dbraw/zinc/30/57/12/384305712.db2.gz DWAGOKIQFLQOIV-JTQLQIEISA-N 2 1 226.345 1.298 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccs2)CCCO1 ZINC000313376869 384305713 /nfs/dbraw/zinc/30/57/13/384305713.db2.gz DWAGOKIQFLQOIV-JTQLQIEISA-N 2 1 226.345 1.298 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)CN(C)C ZINC000168746997 384306246 /nfs/dbraw/zinc/30/62/46/384306246.db2.gz UVAHBPOQZYWAKE-RDBSUJKOSA-N 2 1 241.423 1.837 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOC)C1 ZINC000173890219 384279293 /nfs/dbraw/zinc/27/92/93/384279293.db2.gz AYRVSWKYAIPKJR-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOC)C1 ZINC000173890219 384279303 /nfs/dbraw/zinc/27/93/03/384279303.db2.gz AYRVSWKYAIPKJR-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOC)C1 ZINC000173890219 384279323 /nfs/dbraw/zinc/27/93/23/384279323.db2.gz AYRVSWKYAIPKJR-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000647509909 384347326 /nfs/dbraw/zinc/34/73/26/384347326.db2.gz TVEYVVMFEOAJAY-NEPJUHHUSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000647509909 384347333 /nfs/dbraw/zinc/34/73/33/384347333.db2.gz TVEYVVMFEOAJAY-NEPJUHHUSA-N 2 1 244.342 1.503 20 0 BDADMP CCC[C@]1([NH2+]CCn2cc[nH+]c2C)CCOC1 ZINC000352817203 384329704 /nfs/dbraw/zinc/32/97/04/384329704.db2.gz QGVJBUKMHKHZEY-ZDUSSCGKSA-N 2 1 237.347 1.740 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccns1 ZINC000405436438 384331417 /nfs/dbraw/zinc/33/14/17/384331417.db2.gz CGJWCTVXZBPEEF-IUCAKERBSA-N 2 1 211.334 1.359 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccnc1 ZINC000405534008 384411119 /nfs/dbraw/zinc/41/11/19/384411119.db2.gz ZDCLIWJWSZYHEQ-QWRGUYRKSA-N 2 1 205.305 1.297 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000335606858 384377486 /nfs/dbraw/zinc/37/74/86/384377486.db2.gz YWAQYMGCMNPTKH-AAEUAGOBSA-N 2 1 224.348 1.263 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000084216417 384378243 /nfs/dbraw/zinc/37/82/43/384378243.db2.gz ROUSAOOXFRIRJD-UWVGGRQHSA-N 2 1 225.361 1.750 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647513884 384427926 /nfs/dbraw/zinc/42/79/26/384427926.db2.gz NFWMBXGGVCMTOG-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229095389 384430472 /nfs/dbraw/zinc/43/04/72/384430472.db2.gz XFTQTUPGZWRCPN-NEPJUHHUSA-N 2 1 219.332 1.811 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCOCC1 ZINC000082544844 384430980 /nfs/dbraw/zinc/43/09/80/384430980.db2.gz VGZAXBZNHVMUBS-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP CC[N@@H+](CCC[NH3+])Cc1cccc(F)c1 ZINC000036883445 384461995 /nfs/dbraw/zinc/46/19/95/384461995.db2.gz TVJMVIRVVSXXKU-UHFFFAOYSA-N 2 1 210.296 1.996 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000334420518 384492371 /nfs/dbraw/zinc/49/23/71/384492371.db2.gz SWVWDCPROUCGNW-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000085438589 384525662 /nfs/dbraw/zinc/52/56/62/384525662.db2.gz SKTSKAOEYPIFMD-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647179691 384531770 /nfs/dbraw/zinc/53/17/70/384531770.db2.gz LCVPUFTYSKABJM-NTZNESFSSA-N 2 1 237.347 1.595 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000151129863 384542044 /nfs/dbraw/zinc/54/20/44/384542044.db2.gz CWSZBOKVOFBBDZ-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1[nH+]ccn1CCn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000305903190 384550620 /nfs/dbraw/zinc/55/06/20/384550620.db2.gz CTXIBVRTYPJVKZ-LBPRGKRZSA-N 2 1 248.334 1.139 20 0 BDADMP C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC000643052368 384558952 /nfs/dbraw/zinc/55/89/52/384558952.db2.gz YGSVBOOIEOIESN-NXEZZACHSA-N 2 1 245.330 1.379 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000647336587 384575002 /nfs/dbraw/zinc/57/50/02/384575002.db2.gz CSCJBOZVDIDECT-XDQVBPFNSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000647336587 384575007 /nfs/dbraw/zinc/57/50/07/384575007.db2.gz CSCJBOZVDIDECT-XDQVBPFNSA-N 2 1 242.407 1.856 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)[C@@H]1CCCO1 ZINC000643067110 384579001 /nfs/dbraw/zinc/57/90/01/384579001.db2.gz YBVDXOYYIPJSAR-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)[C@@H]1CCCO1 ZINC000643067110 384579008 /nfs/dbraw/zinc/57/90/08/384579008.db2.gz YBVDXOYYIPJSAR-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+]CCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000643058239 384564955 /nfs/dbraw/zinc/56/49/55/384564955.db2.gz ZSNHELFYHAITAK-GFCCVEGCSA-N 2 1 208.280 1.921 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000643058239 384564960 /nfs/dbraw/zinc/56/49/60/384564960.db2.gz ZSNHELFYHAITAK-GFCCVEGCSA-N 2 1 208.280 1.921 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000643058179 384566359 /nfs/dbraw/zinc/56/63/59/384566359.db2.gz KIKJZCAZLHLRQB-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000647531657 384633861 /nfs/dbraw/zinc/63/38/61/384633861.db2.gz PBVLFSZABSQFCN-MELADBBJSA-N 2 1 239.407 1.304 20 0 BDADMP CC(C)[C@H]1CN(C[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000647531657 384633868 /nfs/dbraw/zinc/63/38/68/384633868.db2.gz PBVLFSZABSQFCN-MELADBBJSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@]1(O)CCC[N@@H+](CCCn2ccnc2)C1 ZINC000162522647 384639852 /nfs/dbraw/zinc/63/98/52/384639852.db2.gz YSDOULNPIYIFFN-LBPRGKRZSA-N 2 1 223.320 1.120 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)[C@H]1CCOC1 ZINC000647534593 384645860 /nfs/dbraw/zinc/64/58/60/384645860.db2.gz RHIUNAJFMRWLPT-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)[C@H]1CCOC1 ZINC000647534593 384645867 /nfs/dbraw/zinc/64/58/67/384645867.db2.gz RHIUNAJFMRWLPT-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CC[NH2+]1 ZINC000647534441 384646087 /nfs/dbraw/zinc/64/60/87/384646087.db2.gz NLYSCCGWGGVITR-SYQHCUMBSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CC[NH2+]1 ZINC000647534441 384646091 /nfs/dbraw/zinc/64/60/91/384646091.db2.gz NLYSCCGWGGVITR-SYQHCUMBSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CC[NH2+]1 ZINC000647534440 384646972 /nfs/dbraw/zinc/64/69/72/384646972.db2.gz NLYSCCGWGGVITR-MQYQWHSLSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CC[NH2+]1 ZINC000647534440 384646974 /nfs/dbraw/zinc/64/69/74/384646974.db2.gz NLYSCCGWGGVITR-MQYQWHSLSA-N 3 1 237.391 1.058 20 0 BDADMP Nc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000647535835 384648637 /nfs/dbraw/zinc/64/86/37/384648637.db2.gz YAJDPJYEJSPYGC-LLVKDONJSA-N 2 1 234.347 1.055 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000044534692 384659444 /nfs/dbraw/zinc/65/94/44/384659444.db2.gz GTVWZUCUVJFKFH-ZDUSSCGKSA-N 2 1 234.343 1.824 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000044534692 384659455 /nfs/dbraw/zinc/65/94/55/384659455.db2.gz GTVWZUCUVJFKFH-ZDUSSCGKSA-N 2 1 234.343 1.824 20 0 BDADMP COc1ccccc1CC[N@@H+](C)CCC[NH3+] ZINC000049819002 384690480 /nfs/dbraw/zinc/69/04/80/384690480.db2.gz KHAIKBDCMCPMFX-UHFFFAOYSA-N 2 1 222.332 1.518 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309885094 384691571 /nfs/dbraw/zinc/69/15/71/384691571.db2.gz XRFCBWKWMYPXQO-RVMXOQNASA-N 2 1 226.364 1.220 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543234 384713188 /nfs/dbraw/zinc/71/31/88/384713188.db2.gz JTMPWXFWGRHZDY-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+](C)C ZINC000052047752 384714079 /nfs/dbraw/zinc/71/40/79/384714079.db2.gz BJAWVGPZEXPKDY-JTQLQIEISA-N 2 1 220.320 1.573 20 0 BDADMP C[C@@]1(c2ccccc2)CC[N@@H+](CCOCC[NH3+])C1 ZINC000357075525 384777021 /nfs/dbraw/zinc/77/70/21/384777021.db2.gz NMTUNCKOTRLASZ-OAHLLOKOSA-N 2 1 248.370 1.625 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547182 384736184 /nfs/dbraw/zinc/73/61/84/384736184.db2.gz PZALJPALUJBDJS-TUAOUCFPSA-N 3 1 213.369 1.092 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000530548358 384738639 /nfs/dbraw/zinc/73/86/39/384738639.db2.gz HSXCFKLIBGCONM-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)nc1 ZINC000334840948 384744726 /nfs/dbraw/zinc/74/47/26/384744726.db2.gz DKRJCFPEHPKRRR-ZDUSSCGKSA-N 2 1 233.359 1.868 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000334997431 384763012 /nfs/dbraw/zinc/76/30/12/384763012.db2.gz IYZVSIPTROUEKA-BETUJISGSA-N 2 1 231.343 1.826 20 0 BDADMP c1cncc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000334998530 384765631 /nfs/dbraw/zinc/76/56/31/384765631.db2.gz SCARJKFPPDMFOQ-GASCZTMLSA-N 2 1 245.370 1.556 20 0 BDADMP COC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375756851 384819362 /nfs/dbraw/zinc/81/93/62/384819362.db2.gz JVQWKDBBSWHLEJ-FOSCPWQOSA-N 2 1 240.347 1.107 20 0 BDADMP COC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375756851 384819368 /nfs/dbraw/zinc/81/93/68/384819368.db2.gz JVQWKDBBSWHLEJ-FOSCPWQOSA-N 2 1 240.347 1.107 20 0 BDADMP COC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375756851 384819373 /nfs/dbraw/zinc/81/93/73/384819373.db2.gz JVQWKDBBSWHLEJ-FOSCPWQOSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)O1 ZINC000398160505 384823259 /nfs/dbraw/zinc/82/32/59/384823259.db2.gz VVIVFYSOCAKMKF-XVIXHAIJSA-N 2 1 240.391 1.872 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000375854884 384826232 /nfs/dbraw/zinc/82/62/32/384826232.db2.gz WXGABCFMGVFOOP-NSHDSACASA-N 2 1 222.336 1.328 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccnc1 ZINC000163629307 384835084 /nfs/dbraw/zinc/83/50/84/384835084.db2.gz PGUKGYPEQJAZCY-UHFFFAOYSA-N 2 1 221.348 1.902 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccnc1 ZINC000163629307 384835088 /nfs/dbraw/zinc/83/50/88/384835088.db2.gz PGUKGYPEQJAZCY-UHFFFAOYSA-N 2 1 221.348 1.902 20 0 BDADMP C[NH2+]CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423247027 384783393 /nfs/dbraw/zinc/78/33/93/384783393.db2.gz OPVCMQYTZPNKEW-GJZGRUSLSA-N 2 1 247.386 1.631 20 0 BDADMP CS[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000518211234 384792882 /nfs/dbraw/zinc/79/28/82/384792882.db2.gz FMQOCFNYEDHTBC-LBPRGKRZSA-N 2 1 239.388 1.790 20 0 BDADMP CS[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000518211234 384792886 /nfs/dbraw/zinc/79/28/86/384792886.db2.gz FMQOCFNYEDHTBC-LBPRGKRZSA-N 2 1 239.388 1.790 20 0 BDADMP CCCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077339232 384872466 /nfs/dbraw/zinc/87/24/66/384872466.db2.gz KATHWTALTUWKNT-ZDUSSCGKSA-N 2 1 225.380 1.156 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000363787463 384885566 /nfs/dbraw/zinc/88/55/66/384885566.db2.gz XBUYOUZKBRPHDT-UBHSHLNASA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000363787463 384885573 /nfs/dbraw/zinc/88/55/73/384885573.db2.gz XBUYOUZKBRPHDT-UBHSHLNASA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000086875304 384893180 /nfs/dbraw/zinc/89/31/80/384893180.db2.gz OJZRXKPZQRWLMU-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](CCCC(C)(C)C)C[C@H](O)C[NH3+] ZINC000308668455 384908499 /nfs/dbraw/zinc/90/84/99/384908499.db2.gz UKDWDXAQWUKQIU-SNVBAGLBSA-N 2 1 202.342 1.064 20 0 BDADMP C[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000644522452 384925886 /nfs/dbraw/zinc/92/58/86/384925886.db2.gz ZPMVTKLYRGHUDA-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP Cc1occc1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000644526824 384935328 /nfs/dbraw/zinc/93/53/28/384935328.db2.gz AXFBLQNXMCCUPY-ZDUSSCGKSA-N 2 1 238.331 1.133 20 0 BDADMP Fc1ccc(C[NH2+]C[C@H]2CNCCO2)c(F)c1 ZINC000258900265 384945041 /nfs/dbraw/zinc/94/50/41/384945041.db2.gz LAEAXXCITNPDET-LLVKDONJSA-N 2 1 242.269 1.043 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccns3)C[C@H]21 ZINC000404437662 384988824 /nfs/dbraw/zinc/98/88/24/384988824.db2.gz HTIJXFIZSNFWHC-YUSALJHKSA-N 2 1 237.372 1.702 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccns3)C[C@H]21 ZINC000404437662 384988830 /nfs/dbraw/zinc/98/88/30/384988830.db2.gz HTIJXFIZSNFWHC-YUSALJHKSA-N 2 1 237.372 1.702 20 0 BDADMP CC[C@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)CCCO1 ZINC000300862125 385007737 /nfs/dbraw/zinc/00/77/37/385007737.db2.gz IYFHVSZFYGQJAD-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)CCCO1 ZINC000300862125 385007742 /nfs/dbraw/zinc/00/77/42/385007742.db2.gz IYFHVSZFYGQJAD-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399640 385008595 /nfs/dbraw/zinc/00/85/95/385008595.db2.gz JFMWSKZWXFSPBK-MFKMUULPSA-N 2 1 241.379 1.103 20 0 BDADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)sn1 ZINC000404476245 385009902 /nfs/dbraw/zinc/00/99/02/385009902.db2.gz WYIKLMGDQSPCGZ-VIFPVBQESA-N 2 1 227.377 1.739 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)NC(C)(C)C ZINC000404765795 385056161 /nfs/dbraw/zinc/05/61/61/385056161.db2.gz GEJWOSLBHDPZPN-LPEHRKFASA-N 2 1 241.379 1.005 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccn1 ZINC000404765033 385056754 /nfs/dbraw/zinc/05/67/54/385056754.db2.gz FRHZUYBYFKBPJM-ZMLRMANQSA-N 2 1 219.332 1.858 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000226927383 385074039 /nfs/dbraw/zinc/07/40/39/385074039.db2.gz BMZOIXQLSXRUND-QWRGUYRKSA-N 2 1 223.320 1.542 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000226927383 385074044 /nfs/dbraw/zinc/07/40/44/385074044.db2.gz BMZOIXQLSXRUND-QWRGUYRKSA-N 2 1 223.320 1.542 20 0 BDADMP Cc1cccc(N2CCC[C@@H]([C@H](C)[NH3+])C2)[nH+]1 ZINC000226955317 385074314 /nfs/dbraw/zinc/07/43/14/385074314.db2.gz HRWVAAVQSIDJFH-NWDGAFQWSA-N 2 1 219.332 1.954 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000307510941 385041612 /nfs/dbraw/zinc/04/16/12/385041612.db2.gz BWZRWSDJRZSLOM-HBNTYKKESA-N 2 1 214.378 1.612 20 0 BDADMP CC1(C)C[NH2+][C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000647137765 385109600 /nfs/dbraw/zinc/10/96/00/385109600.db2.gz RJYAZHFFOPCVCC-MRVPVSSYSA-N 2 1 236.319 1.468 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000306557820 385088812 /nfs/dbraw/zinc/08/88/12/385088812.db2.gz JLTWNSHHLRJZOK-ONGXEEELSA-N 2 1 200.301 1.561 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)s1 ZINC000404844691 385104323 /nfs/dbraw/zinc/10/43/23/385104323.db2.gz CYMSZFUPDHJZTE-VHSXEESVSA-N 2 1 225.361 1.667 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)O)CC[N@H+]1C ZINC000158087180 385104434 /nfs/dbraw/zinc/10/44/34/385104434.db2.gz IFUVAVRBBOCCNA-MNOVXSKESA-N 2 1 214.353 1.220 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000313026675 385197418 /nfs/dbraw/zinc/19/74/18/385197418.db2.gz IGENAJSBJGGYRY-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000252710691 385199673 /nfs/dbraw/zinc/19/96/73/385199673.db2.gz HKAYVYSDAUZCST-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP FC1(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479791 385157203 /nfs/dbraw/zinc/15/72/03/385157203.db2.gz USUWSCIMFWBJFG-NEPJUHHUSA-N 2 1 226.339 1.953 20 0 BDADMP FC1(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479791 385157209 /nfs/dbraw/zinc/15/72/09/385157209.db2.gz USUWSCIMFWBJFG-NEPJUHHUSA-N 2 1 226.339 1.953 20 0 BDADMP CO[C@@H](C[NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000308845675 385206762 /nfs/dbraw/zinc/20/67/62/385206762.db2.gz AAXRMBQSYBIXCJ-LBPRGKRZSA-N 2 1 214.353 1.341 20 0 BDADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000647482692 385211855 /nfs/dbraw/zinc/21/18/55/385211855.db2.gz YQXFEIDDGZWMDL-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000130127299 385221287 /nfs/dbraw/zinc/22/12/87/385221287.db2.gz ZHNXGMCHKZLRFA-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000130127299 385221290 /nfs/dbraw/zinc/22/12/90/385221290.db2.gz ZHNXGMCHKZLRFA-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP OCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157902936 385304395 /nfs/dbraw/zinc/30/43/95/385304395.db2.gz QXHPLKBNBOBDOP-OLZOCXBDSA-N 2 1 226.364 1.365 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)CC[N@H+]1C ZINC000178429254 385259012 /nfs/dbraw/zinc/25/90/12/385259012.db2.gz IPCUVCUCRHZGBG-JHJVBQTASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nccn1C ZINC000344295465 385271352 /nfs/dbraw/zinc/27/13/52/385271352.db2.gz SPHWREZODKKPOI-LLVKDONJSA-N 2 1 234.347 1.333 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nccn1C ZINC000344295465 385271359 /nfs/dbraw/zinc/27/13/59/385271359.db2.gz SPHWREZODKKPOI-LLVKDONJSA-N 2 1 234.347 1.333 20 0 BDADMP [NH3+]C[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000647490729 385282491 /nfs/dbraw/zinc/28/24/91/385282491.db2.gz LXKRTFZGYNBRDG-SECBINFHSA-N 2 1 237.372 1.801 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000647490729 385282497 /nfs/dbraw/zinc/28/24/97/385282497.db2.gz LXKRTFZGYNBRDG-SECBINFHSA-N 2 1 237.372 1.801 20 0 BDADMP C([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCSC1 ZINC000300231834 385290658 /nfs/dbraw/zinc/29/06/58/385290658.db2.gz JBZZXYQOZYHBCX-VXGBXAGGSA-N 2 1 240.416 1.813 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308995559 385337458 /nfs/dbraw/zinc/33/74/58/385337458.db2.gz PKKIRYLIWSNUPT-JFGNBEQYSA-N 2 1 207.321 1.826 20 0 BDADMP CC[NH+](CC)CCCN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644735035 385351687 /nfs/dbraw/zinc/35/16/87/385351687.db2.gz QLSJSCSRPQSZQF-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)CC[N@H+]1C ZINC000158226048 385370165 /nfs/dbraw/zinc/37/01/65/385370165.db2.gz YZMAXNISVMVEHE-BDAKNGLRSA-N 2 1 240.269 1.595 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644736020 385370860 /nfs/dbraw/zinc/37/08/60/385370860.db2.gz HQXNIVBQIYDOBU-BFHYXJOUSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@@H]2CCN(CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000644736020 385370867 /nfs/dbraw/zinc/37/08/67/385370867.db2.gz HQXNIVBQIYDOBU-BFHYXJOUSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@@H]2CCN(CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000644736020 385370870 /nfs/dbraw/zinc/37/08/70/385370870.db2.gz HQXNIVBQIYDOBU-BFHYXJOUSA-N 2 1 237.391 1.107 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2ccncc2C)C[C@H]1C[NH3+] ZINC000405203002 385374106 /nfs/dbraw/zinc/37/41/06/385374106.db2.gz GUWMPAMECQZUKL-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2ccncc2C)C[C@H]1C[NH3+] ZINC000405203002 385374109 /nfs/dbraw/zinc/37/41/09/385374109.db2.gz GUWMPAMECQZUKL-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000180195543 385384796 /nfs/dbraw/zinc/38/47/96/385384796.db2.gz VCEHBRZGTIQUMB-CHWSQXEVSA-N 2 1 238.375 1.772 20 0 BDADMP COC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000180192431 385385684 /nfs/dbraw/zinc/38/56/84/385385684.db2.gz DRMIWBRHKDNQHF-FRRDWIJNSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2CCCCC2)C1 ZINC000644736608 385388153 /nfs/dbraw/zinc/38/81/53/385388153.db2.gz OHVOVXHMZAVVEM-KBPBESRZSA-N 2 1 237.391 1.108 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCOCC1 ZINC000309081215 385400305 /nfs/dbraw/zinc/40/03/05/385400305.db2.gz PVSLKCYZFKOTHB-LLVKDONJSA-N 2 1 214.353 1.484 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCOCC1 ZINC000309081215 385400313 /nfs/dbraw/zinc/40/03/13/385400313.db2.gz PVSLKCYZFKOTHB-LLVKDONJSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@H]1C ZINC000309093025 385414361 /nfs/dbraw/zinc/41/43/61/385414361.db2.gz BWFGOBDUUKZOTJ-MDZLAQPJSA-N 2 1 208.349 1.882 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000161712102 385481141 /nfs/dbraw/zinc/48/11/41/385481141.db2.gz VULVPFOTTLWLPB-PWSUYJOCSA-N 2 1 205.305 1.251 20 0 BDADMP [NH3+]C1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000642998769 385496081 /nfs/dbraw/zinc/49/60/81/385496081.db2.gz CSUUXVRUNVUXPU-UHFFFAOYSA-N 2 1 231.303 1.640 20 0 BDADMP COc1cccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000234884640 259670400 /nfs/dbraw/zinc/67/04/00/259670400.db2.gz DYKXDJFOQKTGHU-UWVGGRQHSA-N 2 1 208.305 1.693 20 0 BDADMP Cc1[nH]c2nc[nH+]c(N3CCC([NH3+])CC3)c2c1C ZINC000647703808 385576197 /nfs/dbraw/zinc/57/61/97/385576197.db2.gz BWJVOEFPPOTISH-UHFFFAOYSA-N 2 1 245.330 1.502 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309425131 385578055 /nfs/dbraw/zinc/57/80/55/385578055.db2.gz ANLWIQSFUGDOQY-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309425131 385578058 /nfs/dbraw/zinc/57/80/58/385578058.db2.gz ANLWIQSFUGDOQY-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP FCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000306721009 385614063 /nfs/dbraw/zinc/61/40/63/385614063.db2.gz DDKJKGNXXVNQCU-PHIMTYICSA-N 2 1 200.301 1.277 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000309485450 385614205 /nfs/dbraw/zinc/61/42/05/385614205.db2.gz GGRYRGITLKAINW-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(O)c1 ZINC000414849311 385625063 /nfs/dbraw/zinc/62/50/63/385625063.db2.gz XZBXZDGOQPROOB-JTQLQIEISA-N 2 1 208.305 1.337 20 0 BDADMP CCCC[N@@H+](CCCO)CCn1ccnc1 ZINC000182137007 385638633 /nfs/dbraw/zinc/63/86/33/385638633.db2.gz MXTPQLMLKCBOHN-UHFFFAOYSA-N 2 1 225.336 1.368 20 0 BDADMP C[C@@H](C[NH3+])[N@H+](C)CCCOCc1ccccc1 ZINC000306914938 385642581 /nfs/dbraw/zinc/64/25/81/385642581.db2.gz SWLHUTMBIGXJGK-ZDUSSCGKSA-N 2 1 236.359 1.872 20 0 BDADMP C[C@@H](C[NH3+])[N@@H+](C)CCCOCc1ccccc1 ZINC000306914938 385642587 /nfs/dbraw/zinc/64/25/87/385642587.db2.gz SWLHUTMBIGXJGK-ZDUSSCGKSA-N 2 1 236.359 1.872 20 0 BDADMP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000308790720 385654184 /nfs/dbraw/zinc/65/41/84/385654184.db2.gz AYIDIDQWNVQCHV-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000308790720 385654192 /nfs/dbraw/zinc/65/41/92/385654192.db2.gz AYIDIDQWNVQCHV-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000308790720 385654199 /nfs/dbraw/zinc/65/41/99/385654199.db2.gz AYIDIDQWNVQCHV-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000308790720 385654206 /nfs/dbraw/zinc/65/42/06/385654206.db2.gz AYIDIDQWNVQCHV-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)n1 ZINC000414851694 385654939 /nfs/dbraw/zinc/65/49/39/385654939.db2.gz UNEHXMYGOOYZOF-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP C[N@@H+](C[C@@H]1CCSC1)C1CC([NH3+])C1 ZINC000307223213 385666112 /nfs/dbraw/zinc/66/61/12/385666112.db2.gz RMIZAIDTXJWESO-IDKOKCKLSA-N 2 1 200.351 1.161 20 0 BDADMP Cc1cc(CN(C)CCn2cc[nH+]c2C)no1 ZINC000270549338 385717392 /nfs/dbraw/zinc/71/73/92/385717392.db2.gz APNQGXJWRFBCTI-UHFFFAOYSA-N 2 1 234.303 1.620 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122610839 385706221 /nfs/dbraw/zinc/70/62/21/385706221.db2.gz ODZXVPNLYJBYIS-GHMZBOCLSA-N 2 1 214.353 1.077 20 0 BDADMP CCn1nccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414859227 385740168 /nfs/dbraw/zinc/74/01/68/385740168.db2.gz TUQLEJFIVWOOQZ-NWDGAFQWSA-N 2 1 236.363 1.381 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000414860101 385745713 /nfs/dbraw/zinc/74/57/13/385745713.db2.gz OEMQYMFISMEODO-UHFFFAOYSA-N 2 1 238.379 1.417 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1c(C)cc(OC)nc1C ZINC000414861628 385753090 /nfs/dbraw/zinc/75/30/90/385753090.db2.gz SJPWQIVPPBDXDY-UHFFFAOYSA-N 2 1 237.347 1.406 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000414863296 385763557 /nfs/dbraw/zinc/76/35/57/385763557.db2.gz IHXPMVDZXVRDCR-TZMCWYRMSA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H](C[NH3+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414944355 385777454 /nfs/dbraw/zinc/77/74/54/385777454.db2.gz NSMTXEWTVCRCMK-YDHLFZDLSA-N 2 1 247.386 1.444 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000414944717 385784964 /nfs/dbraw/zinc/78/49/64/385784964.db2.gz QGVHYMULYHWNDS-DGAVXFQQSA-N 2 1 239.407 1.304 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000414944717 385784970 /nfs/dbraw/zinc/78/49/70/385784970.db2.gz QGVHYMULYHWNDS-DGAVXFQQSA-N 3 1 239.407 1.304 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000414944717 385784974 /nfs/dbraw/zinc/78/49/74/385784974.db2.gz QGVHYMULYHWNDS-DGAVXFQQSA-N 3 1 239.407 1.304 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC[C@@H]1CCOC1)C1CCCCC1 ZINC000414856991 385727332 /nfs/dbraw/zinc/72/73/32/385727332.db2.gz ZYOZQNKFDDVCKM-TZMCWYRMSA-N 2 1 240.391 1.910 20 0 BDADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336714241 385810365 /nfs/dbraw/zinc/81/03/65/385810365.db2.gz WAFNYOAZQIGPJA-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP CCCNCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000414868171 385811554 /nfs/dbraw/zinc/81/15/54/385811554.db2.gz JNWJCSXBVIYVAI-UHFFFAOYSA-N 2 1 213.369 1.093 20 0 BDADMP Cc1cnc(CN[C@H](C)C[N@@H+](C)C(C)C)n1C ZINC000353150142 385813054 /nfs/dbraw/zinc/81/30/54/385813054.db2.gz IPUNSGDHBFFZNU-LLVKDONJSA-N 2 1 238.379 1.547 20 0 BDADMP CCOCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397307854 385817098 /nfs/dbraw/zinc/81/70/98/385817098.db2.gz HTLFHJKDZMOTFV-SRVKXCTJSA-N 2 1 214.353 1.328 20 0 BDADMP CC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000412977984 385825792 /nfs/dbraw/zinc/82/57/92/385825792.db2.gz OLRSFUNAKCPWSH-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP C[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000261641723 385827788 /nfs/dbraw/zinc/82/77/88/385827788.db2.gz DIJKUQQPWKAZPY-WCQYABFASA-N 2 1 249.358 1.013 20 0 BDADMP CCOC(=O)CC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603430764 385853315 /nfs/dbraw/zinc/85/33/15/385853315.db2.gz CMEPOKSSAUDWII-UTUOFQBUSA-N 2 1 242.363 1.387 20 0 BDADMP CCOC(=O)CC[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603430764 385853318 /nfs/dbraw/zinc/85/33/18/385853318.db2.gz CMEPOKSSAUDWII-UTUOFQBUSA-N 2 1 242.363 1.387 20 0 BDADMP c1cncc(C[NH2+]CCC[NH2+]CC2CC2)c1 ZINC000414874622 385886833 /nfs/dbraw/zinc/88/68/33/385886833.db2.gz IHRYJJBADXPQPY-UHFFFAOYSA-N 2 1 219.332 1.561 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414874290 385887202 /nfs/dbraw/zinc/88/72/02/385887202.db2.gz SECDKWKCFIWWHC-OLZOCXBDSA-N 2 1 228.380 1.779 20 0 BDADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)n1 ZINC000414961907 385887943 /nfs/dbraw/zinc/88/79/43/385887943.db2.gz RWSFZVBIPVLQTM-YPMHNXCESA-N 2 1 249.358 1.568 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000414961979 385890237 /nfs/dbraw/zinc/89/02/37/385890237.db2.gz ZLEPSDXVELHJAQ-RQJABVFESA-N 2 1 239.407 1.447 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000414961979 385890240 /nfs/dbraw/zinc/89/02/40/385890240.db2.gz ZLEPSDXVELHJAQ-RQJABVFESA-N 3 1 239.407 1.447 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000414961979 385890245 /nfs/dbraw/zinc/89/02/45/385890245.db2.gz ZLEPSDXVELHJAQ-RQJABVFESA-N 3 1 239.407 1.447 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCCC(F)(F)F ZINC000647847554 385899093 /nfs/dbraw/zinc/89/90/93/385899093.db2.gz UDVZKDAPDKCGAU-UHFFFAOYSA-N 2 1 212.259 2.000 20 0 BDADMP CC1(C)CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000647852232 385902236 /nfs/dbraw/zinc/90/22/36/385902236.db2.gz OQJMBCVRELYNSG-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000647852232 385902239 /nfs/dbraw/zinc/90/22/39/385902239.db2.gz OQJMBCVRELYNSG-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1CCCSC1 ZINC000414876304 385910750 /nfs/dbraw/zinc/91/07/50/385910750.db2.gz VQSSHDHUKQEOJF-JTQLQIEISA-N 2 1 202.367 1.471 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122353986 385912691 /nfs/dbraw/zinc/91/26/91/385912691.db2.gz GCYQIDRSUDGKFT-AXFHLTTASA-N 2 1 200.326 1.081 20 0 BDADMP CCC[NH2+]CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000414877985 385926474 /nfs/dbraw/zinc/92/64/74/385926474.db2.gz YSLXEORLYSDTCB-UHFFFAOYSA-N 2 1 249.349 1.305 20 0 BDADMP C([C@H]1CCC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250812955 385927829 /nfs/dbraw/zinc/92/78/29/385927829.db2.gz DQBYNFUWAIGCSJ-KBPBESRZSA-N 2 1 237.391 1.156 20 0 BDADMP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)cn1 ZINC000414873360 385875521 /nfs/dbraw/zinc/87/55/21/385875521.db2.gz HCCICNDOHGKQNX-UHFFFAOYSA-N 2 1 205.305 1.361 20 0 BDADMP COc1ccncc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311023290 385988635 /nfs/dbraw/zinc/98/86/35/385988635.db2.gz OSGZTLVYCKKHST-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP COc1ccncc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311023290 385988640 /nfs/dbraw/zinc/98/86/40/385988640.db2.gz OSGZTLVYCKKHST-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414878165 385933330 /nfs/dbraw/zinc/93/33/30/385933330.db2.gz NXTQKIURUHKRDL-AGIUHOORSA-N 3 1 227.396 1.482 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414967960 385934240 /nfs/dbraw/zinc/93/42/40/385934240.db2.gz CDAOINICKFORQU-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414060131 385936145 /nfs/dbraw/zinc/93/61/45/385936145.db2.gz JBKLKXWHORIXLA-UPJWGTAASA-N 2 1 228.380 1.589 20 0 BDADMP C[C@@H](c1ccccn1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924130 385939750 /nfs/dbraw/zinc/93/97/50/385939750.db2.gz HMATXFKPXPUAPV-NSHDSACASA-N 2 1 219.332 1.956 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000335046081 385942147 /nfs/dbraw/zinc/94/21/47/385942147.db2.gz ZLVBXAYNKZGRLC-PWSUYJOCSA-N 2 1 208.305 1.757 20 0 BDADMP CC[NH+](CC)CCCN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000338287804 385942862 /nfs/dbraw/zinc/94/28/62/385942862.db2.gz WBNAFGNUDADJCC-KGLIPLIRSA-N 2 1 241.423 1.743 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H]1C(F)F ZINC000342192674 385943461 /nfs/dbraw/zinc/94/34/61/385943461.db2.gz BKWWDGWLIRDVDB-NXEZZACHSA-N 2 1 241.285 1.891 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000338280143 385944773 /nfs/dbraw/zinc/94/47/73/385944773.db2.gz KFQFHISQMBZVAL-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000338281965 385949096 /nfs/dbraw/zinc/94/90/96/385949096.db2.gz NWXWLUBBDCGSDJ-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000338281968 385950032 /nfs/dbraw/zinc/95/00/32/385950032.db2.gz NWXWLUBBDCGSDJ-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]([NH2+]C1CC1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000295045329 385953065 /nfs/dbraw/zinc/95/30/65/385953065.db2.gz FGYDCPSZFZMNLI-VIFPVBQESA-N 2 1 248.330 1.227 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000338304733 385954093 /nfs/dbraw/zinc/95/40/93/385954093.db2.gz HKSZJMHPXDWCAF-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414973507 385994098 /nfs/dbraw/zinc/99/40/98/385994098.db2.gz ZTQLZTJKFKWQIM-QWHCGFSZSA-N 2 1 227.396 1.482 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335058784 385962252 /nfs/dbraw/zinc/96/22/52/385962252.db2.gz KGITZXKPMRLODA-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]1CN(C)C[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000335058784 385962257 /nfs/dbraw/zinc/96/22/57/385962257.db2.gz KGITZXKPMRLODA-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCOC1 ZINC000338309486 385962598 /nfs/dbraw/zinc/96/25/98/385962598.db2.gz VKZZHTDSUTXHBI-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCOC1 ZINC000338309486 385962602 /nfs/dbraw/zinc/96/26/02/385962602.db2.gz VKZZHTDSUTXHBI-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CCC(C)(C)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647864587 385969739 /nfs/dbraw/zinc/96/97/39/385969739.db2.gz XSHTWVVZMKKXPK-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP CCC(C)(C)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647864587 385969748 /nfs/dbraw/zinc/96/97/48/385969748.db2.gz XSHTWVVZMKKXPK-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000414971646 385975065 /nfs/dbraw/zinc/97/50/65/385975065.db2.gz IMBFCRIDQDPLMT-MQYQWHSLSA-N 2 1 239.407 1.304 20 0 BDADMP CCCC(CCC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414974349 386008482 /nfs/dbraw/zinc/00/84/82/386008482.db2.gz JWZXRHVZTDMRSG-ZDUSSCGKSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@H]1C ZINC000414974771 386012014 /nfs/dbraw/zinc/01/20/14/386012014.db2.gz KMTYJDSULRKOSR-RFGFWPKPSA-N 2 1 239.407 1.304 20 0 BDADMP CN(C)c1ccncc1CNC1CC[NH+](C)CC1 ZINC000273571657 386014383 /nfs/dbraw/zinc/01/43/83/386014383.db2.gz GNHUZIDISFMQNL-UHFFFAOYSA-N 3 1 248.374 1.331 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000414882995 386025407 /nfs/dbraw/zinc/02/54/07/386025407.db2.gz NEOTYQUVIMYQBF-SRVKXCTJSA-N 2 1 212.337 1.142 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000124397407 386029203 /nfs/dbraw/zinc/02/92/03/386029203.db2.gz ZBFVZVJAZOUTPA-VIFPVBQESA-N 2 1 224.270 2.000 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCCC1CC[NH2+]CC1)C1CC1 ZINC000647868547 386030424 /nfs/dbraw/zinc/03/04/24/386030424.db2.gz ROIDYVGDFUKIAL-AWEZNQCLSA-N 3 1 239.407 1.483 20 0 BDADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1C ZINC000414884023 386032849 /nfs/dbraw/zinc/03/28/49/386032849.db2.gz VKKMZKPDWXIDTC-UHFFFAOYSA-N 2 1 234.343 1.975 20 0 BDADMP CCCCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000117884184 386038948 /nfs/dbraw/zinc/03/89/48/386038948.db2.gz HHTOAOYLVQFRJA-UHFFFAOYSA-N 2 1 242.407 1.955 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC000414885372 386053610 /nfs/dbraw/zinc/05/36/10/386053610.db2.gz GKFSYMGBLJGENX-RWMBFGLXSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000414664085 386105638 /nfs/dbraw/zinc/10/56/38/386105638.db2.gz SYMOOAKSTVIFGQ-FDYHWXHSSA-N 2 1 225.380 1.044 20 0 BDADMP Cc1ccccc1OCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647873511 386121133 /nfs/dbraw/zinc/12/11/33/386121133.db2.gz UIPVUWYSIAPHBK-CQSZACIVSA-N 2 1 248.370 1.915 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)Cn1cccn1 ZINC000345224150 386071280 /nfs/dbraw/zinc/07/12/80/386071280.db2.gz CBUNPLWGCCFQOH-CYBMUJFWSA-N 2 1 238.379 1.592 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652658 386074971 /nfs/dbraw/zinc/07/49/71/386074971.db2.gz DQNVBGDMMDFUER-RQJABVFESA-N 3 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652658 386074979 /nfs/dbraw/zinc/07/49/79/386074979.db2.gz DQNVBGDMMDFUER-RQJABVFESA-N 3 1 237.391 1.201 20 0 BDADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414982540 386075903 /nfs/dbraw/zinc/07/59/03/386075903.db2.gz YXQXSPDNOIGOMT-STQMWFEESA-N 2 1 227.396 1.162 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655683 386082264 /nfs/dbraw/zinc/08/22/64/386082264.db2.gz DVAMRBDXQPUUGA-XQHKEYJVSA-N 2 1 225.380 1.044 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CO)C1 ZINC000414662496 386098275 /nfs/dbraw/zinc/09/82/75/386098275.db2.gz ACIPFRRKBQIQHK-RYUDHWBXSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](CO)C1 ZINC000414662496 386098278 /nfs/dbraw/zinc/09/82/78/386098278.db2.gz ACIPFRRKBQIQHK-RYUDHWBXSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CO)C1 ZINC000414662497 386099737 /nfs/dbraw/zinc/09/97/37/386099737.db2.gz ACIPFRRKBQIQHK-VXGBXAGGSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CO)C1 ZINC000414662497 386099743 /nfs/dbraw/zinc/09/97/43/386099743.db2.gz ACIPFRRKBQIQHK-VXGBXAGGSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H](C)N1 ZINC000414675699 386154532 /nfs/dbraw/zinc/15/45/32/386154532.db2.gz RGYUSMPTSWLZNS-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000414675699 386154534 /nfs/dbraw/zinc/15/45/34/386154534.db2.gz RGYUSMPTSWLZNS-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](CCO)C1CCCCC1 ZINC000414678969 386160081 /nfs/dbraw/zinc/16/00/81/386160081.db2.gz YTCOFCGYXNHPAR-ZDUSSCGKSA-N 2 1 242.407 1.987 20 0 BDADMP CCCC[N@@H+](C)CC1CC[NH+](CCC[NH3+])CC1 ZINC000414679871 386161885 /nfs/dbraw/zinc/16/18/85/386161885.db2.gz SGGQZEWKJVOJGF-UHFFFAOYSA-N 3 1 241.423 1.779 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000310281963 386172022 /nfs/dbraw/zinc/17/20/22/386172022.db2.gz HPHCINAUPQVMLD-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC000130651819 386180572 /nfs/dbraw/zinc/18/05/72/386180572.db2.gz GNMZVQZSKOPIIK-RFQIPJPRSA-N 2 1 238.375 1.472 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cn[nH]c1 ZINC000275173439 386188821 /nfs/dbraw/zinc/18/88/21/386188821.db2.gz LMWIKOYEVIXYPP-NSHDSACASA-N 2 1 222.336 1.546 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346086181 386140960 /nfs/dbraw/zinc/14/09/60/386140960.db2.gz IFMYMCVVWLVKAR-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346086181 386140963 /nfs/dbraw/zinc/14/09/63/386140963.db2.gz IFMYMCVVWLVKAR-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP c1cc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647881022 386207309 /nfs/dbraw/zinc/20/73/09/386207309.db2.gz UXXVAETZLNXXFI-VXGBXAGGSA-N 2 1 234.347 1.199 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000339008853 386207638 /nfs/dbraw/zinc/20/76/38/386207638.db2.gz DGOWEHAUWNEDRS-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000339008853 386207643 /nfs/dbraw/zinc/20/76/43/386207643.db2.gz DGOWEHAUWNEDRS-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000339008853 386207649 /nfs/dbraw/zinc/20/76/49/386207649.db2.gz DGOWEHAUWNEDRS-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707103 386217513 /nfs/dbraw/zinc/21/75/13/386217513.db2.gz NLBBKVJQJJBVPA-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H](O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414712774 386229203 /nfs/dbraw/zinc/22/92/03/386229203.db2.gz OLUJMGAYDYQPAY-FDYHWXHSSA-N 2 1 226.364 1.077 20 0 BDADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCC[NH3+])C1 ZINC000414712644 386230441 /nfs/dbraw/zinc/23/04/41/386230441.db2.gz UXCMPICJZYUFFE-QWRGUYRKSA-N 2 1 216.394 1.941 20 0 BDADMP CCc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320187 386239037 /nfs/dbraw/zinc/23/90/37/386239037.db2.gz HFKLCAXQUCNCKX-GASCZTMLSA-N 2 1 230.355 1.900 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000347134654 386239863 /nfs/dbraw/zinc/23/98/63/386239863.db2.gz SCKGEDKDFBKSNR-CYBMUJFWSA-N 2 1 247.386 1.794 20 0 BDADMP CC(C)(C)NCC[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415002364 386244334 /nfs/dbraw/zinc/24/43/34/386244334.db2.gz MDJXCVSCSXJZLK-NWDGAFQWSA-N 2 1 227.396 1.482 20 0 BDADMP CC(C)(C)[NH2+]CCNC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415002364 386244339 /nfs/dbraw/zinc/24/43/39/386244339.db2.gz MDJXCVSCSXJZLK-NWDGAFQWSA-N 2 1 227.396 1.482 20 0 BDADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347100020 386250033 /nfs/dbraw/zinc/25/00/33/386250033.db2.gz KBTXIALHFCIIQL-LBPRGKRZSA-N 2 1 247.342 1.426 20 0 BDADMP C[C@@H](O)C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647884069 386252001 /nfs/dbraw/zinc/25/20/01/386252001.db2.gz CUZABZIFKNEQHA-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP CN(CC[NH2+]C(C)(C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000414697758 386198268 /nfs/dbraw/zinc/19/82/68/386198268.db2.gz QGVFMAHBGAGZNO-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC000414729353 386280712 /nfs/dbraw/zinc/28/07/12/386280712.db2.gz DXVZOFREDYAVAZ-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](C)(CN)C2)CC[NH2+]1 ZINC000414729353 386280718 /nfs/dbraw/zinc/28/07/18/386280718.db2.gz DXVZOFREDYAVAZ-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)(CN)C2)CC[NH2+]1 ZINC000414729353 386280721 /nfs/dbraw/zinc/28/07/21/386280721.db2.gz DXVZOFREDYAVAZ-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133231724 386288276 /nfs/dbraw/zinc/28/82/76/386288276.db2.gz PNGMVYWMXJQMII-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[C@H]1CN(CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000414733288 386294986 /nfs/dbraw/zinc/29/49/86/386294986.db2.gz DPKUCWMZYRNURB-CYBMUJFWSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000335266634 386305936 /nfs/dbraw/zinc/30/59/36/386305936.db2.gz BVTPCLQBRZXIPV-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1CCN(CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000335266634 386305939 /nfs/dbraw/zinc/30/59/39/386305939.db2.gz BVTPCLQBRZXIPV-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC[NH2+]1 ZINC000414738235 386318227 /nfs/dbraw/zinc/31/82/27/386318227.db2.gz OZIVJDRQYZYFRZ-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000335260613 386318835 /nfs/dbraw/zinc/31/88/35/386318835.db2.gz ZKUXYCNXZXDZAQ-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP Fc1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000647988863 386322824 /nfs/dbraw/zinc/32/28/24/386322824.db2.gz ZZIOGDNUCLZQDY-NSHDSACASA-N 2 1 234.318 1.793 20 0 BDADMP Fc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000647988863 386322828 /nfs/dbraw/zinc/32/28/28/386322828.db2.gz ZZIOGDNUCLZQDY-NSHDSACASA-N 2 1 234.318 1.793 20 0 BDADMP CC(C)(C)C[N@@H+](CCCO)C[C@H]1CC[NH2+]C1 ZINC000647884466 386263890 /nfs/dbraw/zinc/26/38/90/386263890.db2.gz SXDMRRJAYBQHJL-LBPRGKRZSA-N 2 1 228.380 1.326 20 0 BDADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000647987564 386274760 /nfs/dbraw/zinc/27/47/60/386274760.db2.gz DARIAMNCZBPKGD-DGCLKSJQSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000647987564 386274764 /nfs/dbraw/zinc/27/47/64/386274764.db2.gz DARIAMNCZBPKGD-DGCLKSJQSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1N ZINC000647987564 386274768 /nfs/dbraw/zinc/27/47/68/386274768.db2.gz DARIAMNCZBPKGD-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1N ZINC000647987564 386274769 /nfs/dbraw/zinc/27/47/69/386274769.db2.gz DARIAMNCZBPKGD-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336682278 386342518 /nfs/dbraw/zinc/34/25/18/386342518.db2.gz DCSVBYNZANCCEL-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336682278 386342522 /nfs/dbraw/zinc/34/25/22/386342522.db2.gz DCSVBYNZANCCEL-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336682278 386342526 /nfs/dbraw/zinc/34/25/26/386342526.db2.gz DCSVBYNZANCCEL-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP COc1ncccc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000289696113 386344095 /nfs/dbraw/zinc/34/40/95/386344095.db2.gz DLUYTXQBRHZVML-UHFFFAOYSA-N 2 1 249.358 1.317 20 0 BDADMP Cc1cnc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000335278666 386346294 /nfs/dbraw/zinc/34/62/94/386346294.db2.gz MGUJPUSZYSMIHK-NSHDSACASA-N 2 1 249.358 1.947 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cn1 ZINC000336687681 386351179 /nfs/dbraw/zinc/35/11/79/386351179.db2.gz AYSJSKFDRHFTLJ-UONOGXRCSA-N 2 1 249.358 1.632 20 0 BDADMP CC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000289792664 386354841 /nfs/dbraw/zinc/35/48/41/386354841.db2.gz LNUBCRMQSJSXPM-GFCCVEGCSA-N 2 1 237.347 1.662 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000414747817 386356911 /nfs/dbraw/zinc/35/69/11/386356911.db2.gz UXBGPWINTHLWGE-RVMXOQNASA-N 2 1 226.364 1.063 20 0 BDADMP CC[N@H+](CCCO)C[C@@H]([NH3+])CC(C)C ZINC000414748955 386364368 /nfs/dbraw/zinc/36/43/68/386364368.db2.gz VLWYFAUFNMCYFA-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903206 386335113 /nfs/dbraw/zinc/33/51/13/386335113.db2.gz LOJKXGRFJUAUNX-LBPRGKRZSA-N 2 1 227.396 1.339 20 0 BDADMP c1cc2c(c(C[NH2+]C3CC[NH2+]CC3)c1)NCC2 ZINC000335275608 386336462 /nfs/dbraw/zinc/33/64/62/386336462.db2.gz BLZKCXJYKWXHFR-UHFFFAOYSA-N 2 1 231.343 1.496 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000230045300 386336571 /nfs/dbraw/zinc/33/65/71/386336571.db2.gz PLVZZJICBWFQJI-HZSPNIEDSA-N 2 1 231.343 1.641 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC000336717893 386440471 /nfs/dbraw/zinc/44/04/71/386440471.db2.gz WOIBNVKBOIJSGD-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336717893 386440476 /nfs/dbraw/zinc/44/04/76/386440476.db2.gz WOIBNVKBOIJSGD-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336717893 386440482 /nfs/dbraw/zinc/44/04/82/386440482.db2.gz WOIBNVKBOIJSGD-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000336754242 386443984 /nfs/dbraw/zinc/44/39/84/386443984.db2.gz ICVAWAFHJBCLHQ-PWSUYJOCSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000336754241 386445515 /nfs/dbraw/zinc/44/55/15/386445515.db2.gz ICVAWAFHJBCLHQ-JQWIXIFHSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1ccno1)CC[NH2+]CC2 ZINC000335280018 386394376 /nfs/dbraw/zinc/39/43/76/386394376.db2.gz QMCJSWMWEUOHQG-LLVKDONJSA-N 2 1 235.331 1.639 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414908342 386395459 /nfs/dbraw/zinc/39/54/59/386395459.db2.gz BIAHDVIRPWOHPR-BZPMIXESSA-N 2 1 240.391 1.779 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336700350 386401990 /nfs/dbraw/zinc/40/19/90/386401990.db2.gz KTHQPJHZLJXTFS-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000339411216 386413393 /nfs/dbraw/zinc/41/33/93/386413393.db2.gz VYFLHTYLEAVAAC-DOMZBBRYSA-N 2 1 247.386 1.992 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000339408429 386414013 /nfs/dbraw/zinc/41/40/13/386414013.db2.gz BADIXGWVQKFGNW-OAHLLOKOSA-N 2 1 247.386 1.993 20 0 BDADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000339408681 386415278 /nfs/dbraw/zinc/41/52/78/386415278.db2.gz URZQKDOIPLBCKI-UKRRQHHQSA-N 2 1 247.386 1.992 20 0 BDADMP Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647991667 386420770 /nfs/dbraw/zinc/42/07/70/386420770.db2.gz XMZAKBCHDYBIOU-JSGCOSHPSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647991667 386420774 /nfs/dbraw/zinc/42/07/74/386420774.db2.gz XMZAKBCHDYBIOU-JSGCOSHPSA-N 2 1 248.374 1.557 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414762000 386421586 /nfs/dbraw/zinc/42/15/86/386421586.db2.gz VEZXIJJCVRCSAZ-IJLUTSLNSA-N 2 1 226.364 1.077 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](C)C1 ZINC000415009697 386426419 /nfs/dbraw/zinc/42/64/19/386426419.db2.gz FOJBMTNAHXYUJO-MCIONIFRSA-N 3 1 241.423 1.824 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](C)C1 ZINC000415009697 386426420 /nfs/dbraw/zinc/42/64/20/386426420.db2.gz FOJBMTNAHXYUJO-MCIONIFRSA-N 2 1 241.423 1.824 20 0 BDADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000647894287 386430965 /nfs/dbraw/zinc/43/09/65/386430965.db2.gz KRXWBUZKKWXMLV-GFCCVEGCSA-N 3 1 225.380 1.060 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000647894287 386430971 /nfs/dbraw/zinc/43/09/71/386430971.db2.gz KRXWBUZKKWXMLV-GFCCVEGCSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@@H+](CCOc1ccccc1)CC(C)(C)C[NH3+] ZINC000093874096 386431069 /nfs/dbraw/zinc/43/10/69/386431069.db2.gz KCBRBSYVSGOKKO-UHFFFAOYSA-N 2 1 236.359 1.982 20 0 BDADMP Cn1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277448383 386435473 /nfs/dbraw/zinc/43/54/73/386435473.db2.gz KOKPQINTHGBBBS-AWEZNQCLSA-N 2 1 235.375 1.941 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277448383 386435477 /nfs/dbraw/zinc/43/54/77/386435477.db2.gz KOKPQINTHGBBBS-AWEZNQCLSA-N 2 1 235.375 1.941 20 0 BDADMP CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335366005 386477663 /nfs/dbraw/zinc/47/76/63/386477663.db2.gz NNSYMLQBZSJWHL-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CC1(C)C ZINC000417311127 386480979 /nfs/dbraw/zinc/48/09/79/386480979.db2.gz LIOJOSIWKPFDPI-XQQFMLRXSA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647934661 386481347 /nfs/dbraw/zinc/48/13/47/386481347.db2.gz LZONIMLFNQQUPU-BFHYXJOUSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000415011126 386485070 /nfs/dbraw/zinc/48/50/70/386485070.db2.gz QEIDUBHSJFAQGS-RYUDHWBXSA-N 2 1 244.342 1.698 20 0 BDADMP CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000519555298 386492223 /nfs/dbraw/zinc/49/22/23/386492223.db2.gz RDEFSKRTKUGEBY-NWDGAFQWSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000519555298 386492228 /nfs/dbraw/zinc/49/22/28/386492228.db2.gz RDEFSKRTKUGEBY-NWDGAFQWSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000519555298 386492232 /nfs/dbraw/zinc/49/22/32/386492232.db2.gz RDEFSKRTKUGEBY-NWDGAFQWSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000519555298 386492237 /nfs/dbraw/zinc/49/22/37/386492237.db2.gz RDEFSKRTKUGEBY-NWDGAFQWSA-N 2 1 214.353 1.172 20 0 BDADMP CCN(C)c1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cn1 ZINC000415018715 386504948 /nfs/dbraw/zinc/50/49/48/386504948.db2.gz RCLXQRKVZKRNHL-WDEREUQCSA-N 2 1 236.363 1.363 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415050198 386505420 /nfs/dbraw/zinc/50/54/20/386505420.db2.gz FMRQNJCLQPWZLR-XJFOESAGSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)CN ZINC000415050198 386505425 /nfs/dbraw/zinc/50/54/25/386505425.db2.gz FMRQNJCLQPWZLR-XJFOESAGSA-N 2 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)CN ZINC000415050198 386505428 /nfs/dbraw/zinc/50/54/28/386505428.db2.gz FMRQNJCLQPWZLR-XJFOESAGSA-N 2 1 239.407 1.291 20 0 BDADMP Cc1ncncc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000519602151 386505607 /nfs/dbraw/zinc/50/56/07/386505607.db2.gz BQJGEIUEDCXKPV-WCQYABFASA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000519602151 386505609 /nfs/dbraw/zinc/50/56/09/386505609.db2.gz BQJGEIUEDCXKPV-WCQYABFASA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000519602151 386505612 /nfs/dbraw/zinc/50/56/12/386505612.db2.gz BQJGEIUEDCXKPV-WCQYABFASA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000519602151 386505617 /nfs/dbraw/zinc/50/56/17/386505617.db2.gz BQJGEIUEDCXKPV-WCQYABFASA-N 2 1 248.374 1.777 20 0 BDADMP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cn1 ZINC000415018714 386505662 /nfs/dbraw/zinc/50/56/62/386505662.db2.gz RCLXQRKVZKRNHL-QWRGUYRKSA-N 2 1 236.363 1.363 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415052090 386507881 /nfs/dbraw/zinc/50/78/81/386507881.db2.gz HHAZLMRYFZNNSA-SNVBAGLBSA-N 2 1 244.379 1.539 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415052089 386508134 /nfs/dbraw/zinc/50/81/34/386508134.db2.gz HHAZLMRYFZNNSA-JTQLQIEISA-N 2 1 244.379 1.539 20 0 BDADMP CC[C@@H](C)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784146 386508343 /nfs/dbraw/zinc/50/83/43/386508343.db2.gz QVWBIRQOFYIJLS-CHWSQXEVSA-N 2 1 240.391 1.720 20 0 BDADMP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)COC1 ZINC000393975170 386513364 /nfs/dbraw/zinc/51/33/64/386513364.db2.gz UUFSJPGMLCTNLH-FRRDWIJNSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)(C)NCC[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026059 386514885 /nfs/dbraw/zinc/51/48/85/386514885.db2.gz RUHRCNMIKPYDQI-JOCQHMNTSA-N 2 1 241.423 1.729 20 0 BDADMP CC(C)(C)[NH2+]CCNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026059 386514893 /nfs/dbraw/zinc/51/48/93/386514893.db2.gz RUHRCNMIKPYDQI-JOCQHMNTSA-N 2 1 241.423 1.729 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335448382 386516345 /nfs/dbraw/zinc/51/63/45/386516345.db2.gz PBHGRLNSBWUQQJ-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000135500235 386519493 /nfs/dbraw/zinc/51/94/93/386519493.db2.gz CLLHBQZZKGFALG-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000414799349 386580378 /nfs/dbraw/zinc/58/03/78/386580378.db2.gz REBZHZOOVOWTLN-WCQYABFASA-N 2 1 244.342 1.551 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000414799345 386581734 /nfs/dbraw/zinc/58/17/34/386581734.db2.gz REBZHZOOVOWTLN-AAEUAGOBSA-N 2 1 244.342 1.551 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000415078751 386588884 /nfs/dbraw/zinc/58/88/84/386588884.db2.gz GXVUQZAXBHBENI-QWRGUYRKSA-N 2 1 224.373 1.878 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC000414922115 386590165 /nfs/dbraw/zinc/59/01/65/386590165.db2.gz GKFSYMGBLJGENX-JHJVBQTASA-N 2 1 226.364 1.532 20 0 BDADMP COc1cc(CC[NH2+][C@@H]2CC[NH2+]C2)ccc1C ZINC000415083115 386594312 /nfs/dbraw/zinc/59/43/12/386594312.db2.gz MXGXHYIUWIRZCW-CYBMUJFWSA-N 2 1 234.343 1.498 20 0 BDADMP COc1ccc(C[NH2+][C@@H](CN)C2CC2)cc1F ZINC000414799615 386594453 /nfs/dbraw/zinc/59/44/53/386594453.db2.gz KEKUADXJWSUGBG-LBPRGKRZSA-N 2 1 238.306 1.661 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000415083289 386594708 /nfs/dbraw/zinc/59/47/08/386594708.db2.gz PQMJGMSTQHUKGS-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415083289 386594712 /nfs/dbraw/zinc/59/47/12/386594712.db2.gz PQMJGMSTQHUKGS-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP CCc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415045207 386531019 /nfs/dbraw/zinc/53/10/19/386531019.db2.gz SYVUCSITAZNAIB-OAHLLOKOSA-N 2 1 248.370 1.717 20 0 BDADMP C(=C\c1ccccc1)\C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415053363 386534367 /nfs/dbraw/zinc/53/43/67/386534367.db2.gz DSLDSPMPIURYLC-DABMUUFJSA-N 2 1 214.312 1.507 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000415056027 386537770 /nfs/dbraw/zinc/53/77/70/386537770.db2.gz NXLTUORIIWONQF-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000415056027 386537774 /nfs/dbraw/zinc/53/77/74/386537774.db2.gz NXLTUORIIWONQF-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCOC2(CCC2)C1 ZINC000519708240 386538943 /nfs/dbraw/zinc/53/89/43/386538943.db2.gz RGSYRKAJVDDWMD-UHFFFAOYSA-N 2 1 249.358 1.608 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CCOC2(CCC2)C1 ZINC000519708240 386538953 /nfs/dbraw/zinc/53/89/53/386538953.db2.gz RGSYRKAJVDDWMD-UHFFFAOYSA-N 2 1 249.358 1.608 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCOCC1)C1CCCC1 ZINC000415064687 386543829 /nfs/dbraw/zinc/54/38/29/386543829.db2.gz LCLNLVDZDSFCGZ-QWHCGFSZSA-N 2 1 226.364 1.663 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCSC1)C1CCCC1 ZINC000415064575 386544440 /nfs/dbraw/zinc/54/44/40/386544440.db2.gz LBEOQXCUDUYGLU-PWSUYJOCSA-N 2 1 228.405 1.847 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@H]1CCCSC1)C1CCCC1 ZINC000415063516 386545657 /nfs/dbraw/zinc/54/56/57/386545657.db2.gz IKJDPWWJTGLLGS-RYUDHWBXSA-N 2 1 228.405 1.989 20 0 BDADMP c1ccc(O[C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647995242 386547926 /nfs/dbraw/zinc/54/79/26/386547926.db2.gz IWMMCSJADQHLDN-HIFRSBDPSA-N 2 1 246.354 1.749 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000123396211 386552865 /nfs/dbraw/zinc/55/28/65/386552865.db2.gz QWEKEWIAUWIUNC-CYBMUJFWSA-N 2 1 247.342 1.438 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000123396211 386552868 /nfs/dbraw/zinc/55/28/68/386552868.db2.gz QWEKEWIAUWIUNC-CYBMUJFWSA-N 2 1 247.342 1.438 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000415110832 386620503 /nfs/dbraw/zinc/62/05/03/386620503.db2.gz SXPCFTFCQJBNTO-GXTWGEPZSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H](CO)[N@@H+](CC1CCC1)C[C@@H]1CCC[NH2+]C1 ZINC000415103771 386625076 /nfs/dbraw/zinc/62/50/76/386625076.db2.gz JYDJQHKJPHNOKJ-GXTWGEPZSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccccc1N(C)C ZINC000415123338 386628500 /nfs/dbraw/zinc/62/85/00/386628500.db2.gz ASTNOCKXAYEGED-UHFFFAOYSA-N 2 1 235.375 1.794 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccccc1N(C)C ZINC000415123338 386628507 /nfs/dbraw/zinc/62/85/07/386628507.db2.gz ASTNOCKXAYEGED-UHFFFAOYSA-N 2 1 235.375 1.794 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000414810354 386631556 /nfs/dbraw/zinc/63/15/56/386631556.db2.gz VGPYSMTYPZGKIO-FRRDWIJNSA-N 2 1 225.380 1.093 20 0 BDADMP Cc1ccc(CCC[NH2+][C@H](C[NH3+])C2CC2)cn1 ZINC000414815461 386650927 /nfs/dbraw/zinc/65/09/27/386650927.db2.gz TZKDFJRZRYZTMC-CQSZACIVSA-N 2 1 233.359 1.650 20 0 BDADMP COCc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414806371 386606983 /nfs/dbraw/zinc/60/69/83/386606983.db2.gz QASBWNRNUBEQOJ-CQSZACIVSA-N 2 1 234.343 1.660 20 0 BDADMP C[C@H]([NH3+])c1ccc(CNC[C@@]2(C)CC[NH2+]C2)cc1 ZINC000414807736 386611486 /nfs/dbraw/zinc/61/14/86/386611486.db2.gz CZQVBRXSRRNOPY-WFASDCNBSA-N 2 1 247.386 1.796 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]CC[C@H]1CCOC1 ZINC000414806305 386614227 /nfs/dbraw/zinc/61/42/27/386614227.db2.gz BGXVLSDYTKWQBD-RYUDHWBXSA-N 2 1 214.353 1.520 20 0 BDADMP C[C@H](C[NH2+][C@H](C)c1ccnn1C)C[NH+](C)C ZINC000336645593 386616232 /nfs/dbraw/zinc/61/62/32/386616232.db2.gz AVSVFTDPPMAFPQ-GHMZBOCLSA-N 2 1 224.352 1.268 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000415107748 386618433 /nfs/dbraw/zinc/61/84/33/386618433.db2.gz JPZWYYSNDWXWTN-VWYCJHECSA-N 2 1 212.362 1.176 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H](C)CO ZINC000450741628 386660092 /nfs/dbraw/zinc/66/00/92/386660092.db2.gz ZYWYPBLCNFIBAS-NWDGAFQWSA-N 2 1 239.363 1.578 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000414820265 386663763 /nfs/dbraw/zinc/66/37/63/386663763.db2.gz BUFDNNAUHCKDJA-NWDGAFQWSA-N 2 1 206.333 1.988 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]CCC(C)(C)C(=O)OC ZINC000414819245 386671665 /nfs/dbraw/zinc/67/16/65/386671665.db2.gz YESSYCIPWVTFTB-LLVKDONJSA-N 2 1 244.379 1.683 20 0 BDADMP Cc1cn[nH]c1CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000352834774 386681376 /nfs/dbraw/zinc/68/13/76/386681376.db2.gz JFUSYHDDZHBNIO-NWDGAFQWSA-N 2 1 236.363 1.681 20 0 BDADMP Cc1noc([C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000647951277 386658276 /nfs/dbraw/zinc/65/82/76/386658276.db2.gz UXZFFTDJGGDTMG-ONGXEEELSA-N 2 1 238.335 1.500 20 0 BDADMP CC(C)COCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367250605 386684920 /nfs/dbraw/zinc/68/49/20/386684920.db2.gz KISFNWADPRRBTO-BETUJISGSA-N 2 1 226.364 1.152 20 0 BDADMP CC(C)COCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367250605 386684933 /nfs/dbraw/zinc/68/49/33/386684933.db2.gz KISFNWADPRRBTO-BETUJISGSA-N 2 1 226.364 1.152 20 0 BDADMP CC(C)COCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000367250605 386684937 /nfs/dbraw/zinc/68/49/37/386684937.db2.gz KISFNWADPRRBTO-BETUJISGSA-N 2 1 226.364 1.152 20 0 BDADMP CC(C)COCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367250605 386684942 /nfs/dbraw/zinc/68/49/42/386684942.db2.gz KISFNWADPRRBTO-BETUJISGSA-N 2 1 226.364 1.152 20 0 BDADMP C[C@H](C[NH3+])N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414926985 386685595 /nfs/dbraw/zinc/68/55/95/386685595.db2.gz KODUQBAEAAICHC-IPYPFGDCSA-N 2 1 247.386 1.759 20 0 BDADMP COC[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337268901 386686253 /nfs/dbraw/zinc/68/62/53/386686253.db2.gz LCWCJUVSSYPXSF-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000357022672 386692354 /nfs/dbraw/zinc/69/23/54/386692354.db2.gz BJVHRYDBYQDTLF-CQSZACIVSA-N 2 1 234.343 1.581 20 0 BDADMP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CC[N@@H+](C)C2)n1 ZINC000520580632 386702221 /nfs/dbraw/zinc/70/22/21/386702221.db2.gz DETYIIVKKQJZDB-VHSXEESVSA-N 2 1 238.335 1.535 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000414828988 386703155 /nfs/dbraw/zinc/70/31/55/386703155.db2.gz LVAAGQJQEWNUKX-ZDUSSCGKSA-N 2 1 204.317 1.353 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C1Cc2ccccc2C1 ZINC000357066672 386707596 /nfs/dbraw/zinc/70/75/96/386707596.db2.gz BTFITENYLSSDOS-UHFFFAOYSA-N 2 1 234.343 1.061 20 0 BDADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCOCC[NH3+] ZINC000357071218 386708344 /nfs/dbraw/zinc/70/83/44/386708344.db2.gz JNGSCYUIFPOOLH-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000357066934 386708608 /nfs/dbraw/zinc/70/86/08/386708608.db2.gz DBPSKAUOELSBQL-NWDGAFQWSA-N 2 1 244.404 1.322 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCSCC1 ZINC000414840532 386737833 /nfs/dbraw/zinc/73/78/33/386737833.db2.gz MKOHNFDULXGXCU-LLVKDONJSA-N 2 1 216.394 1.845 20 0 BDADMP CC[NH2+]CC[NH2+]C1CCC(C(=O)OCC)CC1 ZINC000414838796 386739691 /nfs/dbraw/zinc/73/96/91/386739691.db2.gz ZLDIMLMIWLHPPB-UHFFFAOYSA-N 2 1 242.363 1.307 20 0 BDADMP CCS[C@H]1CCCC[N@@H+](CCOCC[NH3+])C1 ZINC000357084382 386715099 /nfs/dbraw/zinc/71/50/99/386715099.db2.gz PZFFSJDAZNHRNT-LBPRGKRZSA-N 2 1 246.420 1.569 20 0 BDADMP C1CC1[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000325061696 386715572 /nfs/dbraw/zinc/71/55/72/386715572.db2.gz SPWHTCFCVQRXDH-OLZOCXBDSA-N 2 1 208.349 1.907 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C)C[C@@H]1C ZINC000414832889 386721700 /nfs/dbraw/zinc/72/17/00/386721700.db2.gz RNRXQDSUONHDLU-QJPTWQEYSA-N 2 1 242.363 1.163 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414834372 386723279 /nfs/dbraw/zinc/72/32/79/386723279.db2.gz TYGZPOWSJKKUIO-IACUBPJLSA-N 2 1 218.344 1.988 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(N(C)C)s1 ZINC000414835232 386728440 /nfs/dbraw/zinc/72/84/40/386728440.db2.gz ICNNYOGBHYXJNP-VIFPVBQESA-N 2 1 242.392 1.154 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414842109 386750053 /nfs/dbraw/zinc/75/00/53/386750053.db2.gz NRVMWZIWQALHIZ-RWMBFGLXSA-N 3 1 227.396 1.338 20 0 BDADMP C[C@H]1C[C@H](C[NH2+]CC2(N)CCCCC2)CC[NH2+]1 ZINC000414842837 386754322 /nfs/dbraw/zinc/75/43/22/386754322.db2.gz NAHIAURLQRZSLU-QWHCGFSZSA-N 2 1 239.407 1.626 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@H](C)[C@H]1CN ZINC000430576946 386755281 /nfs/dbraw/zinc/75/52/81/386755281.db2.gz SZYSHFFGVBQZJU-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430576946 386755292 /nfs/dbraw/zinc/75/52/92/386755292.db2.gz SZYSHFFGVBQZJU-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430576946 386755295 /nfs/dbraw/zinc/75/52/95/386755295.db2.gz SZYSHFFGVBQZJU-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000340714190 386761542 /nfs/dbraw/zinc/76/15/42/386761542.db2.gz RQRDWNRWEKIXKV-CYBMUJFWSA-N 2 1 228.380 1.471 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414931215 386761689 /nfs/dbraw/zinc/76/16/89/386761689.db2.gz QYKIMCNZAAYVDW-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000269255299 386768075 /nfs/dbraw/zinc/76/80/75/386768075.db2.gz JIOOHNTUARESIS-ZDUSSCGKSA-N 2 1 248.330 1.086 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@H](C[NH3+])CC(C)C ZINC000414838908 386743239 /nfs/dbraw/zinc/74/32/39/386743239.db2.gz KXQZDYFTBBTSFG-NSHDSACASA-N 2 1 244.379 1.539 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000269275786 386771084 /nfs/dbraw/zinc/77/10/84/386771084.db2.gz WUBMSBVSYIATMB-LLVKDONJSA-N 2 1 248.330 1.228 20 0 BDADMP CO[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C1CC1 ZINC000293210818 386786545 /nfs/dbraw/zinc/78/65/45/386786545.db2.gz YGVKUUXOPSVEEP-AWEZNQCLSA-N 2 1 249.358 1.662 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000396601073 386786832 /nfs/dbraw/zinc/78/68/32/386786832.db2.gz AURDGLJZAUVHLZ-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1cnc(CNC[C@@H](C)[N@@H+](C)C2CC2)n1C ZINC000341038819 386824904 /nfs/dbraw/zinc/82/49/04/386824904.db2.gz CYKFPJLVZHUXTI-SNVBAGLBSA-N 2 1 236.363 1.301 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414937247 386844805 /nfs/dbraw/zinc/84/48/05/386844805.db2.gz VIWSPWQTTYLDIY-CRWXNKLISA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)C[NH3+])Cc1ccccc1 ZINC000414937522 386849063 /nfs/dbraw/zinc/84/90/63/386849063.db2.gz CYQUDSRKCYOJFU-NEPJUHHUSA-N 2 1 206.333 1.802 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C12CCC2 ZINC000308389205 386894080 /nfs/dbraw/zinc/89/40/80/386894080.db2.gz ICLYVSWTGUJJRB-OLZOCXBDSA-N 2 1 238.375 1.628 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000334837428 386878401 /nfs/dbraw/zinc/87/84/01/386878401.db2.gz MGKMGQFKCPTJEK-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCCC1(C)C ZINC000334837407 386878421 /nfs/dbraw/zinc/87/84/21/386878421.db2.gz LTASGZWTWDRXDO-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000334858789 386911341 /nfs/dbraw/zinc/91/13/41/386911341.db2.gz VFPUMQBOKHLPJZ-ZWNOBZJWSA-N 2 1 219.332 1.478 20 0 BDADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358260306 386922052 /nfs/dbraw/zinc/92/20/52/386922052.db2.gz XQLXBYOAZKNRCK-ZFWWWQNUSA-N 2 1 248.370 1.712 20 0 BDADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358260306 386922056 /nfs/dbraw/zinc/92/20/56/386922056.db2.gz XQLXBYOAZKNRCK-ZFWWWQNUSA-N 2 1 248.370 1.712 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCOCC1 ZINC000334866067 386923275 /nfs/dbraw/zinc/92/32/75/386923275.db2.gz WAHIZNNOKXGSSS-JQWIXIFHSA-N 2 1 212.337 1.001 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334868840 386928400 /nfs/dbraw/zinc/92/84/00/386928400.db2.gz MRBBTPSOXZPVBJ-TZMCWYRMSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334868840 386928405 /nfs/dbraw/zinc/92/84/05/386928405.db2.gz MRBBTPSOXZPVBJ-TZMCWYRMSA-N 2 1 248.374 1.384 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334879403 386940661 /nfs/dbraw/zinc/94/06/61/386940661.db2.gz BMFPZHILGMEKGM-LBPRGKRZSA-N 2 1 212.337 1.228 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334879401 386941366 /nfs/dbraw/zinc/94/13/66/386941366.db2.gz BMFPZHILGMEKGM-GFCCVEGCSA-N 2 1 212.337 1.228 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000162185651 386944494 /nfs/dbraw/zinc/94/44/94/386944494.db2.gz HAZAJAFZTPCXKB-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP CCOCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368313519 386958444 /nfs/dbraw/zinc/95/84/44/386958444.db2.gz DCMUZXCAYNVYIF-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP CCOCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368313519 386958451 /nfs/dbraw/zinc/95/84/51/386958451.db2.gz DCMUZXCAYNVYIF-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP CCOCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368313519 386958457 /nfs/dbraw/zinc/95/84/57/386958457.db2.gz DCMUZXCAYNVYIF-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000334822900 386951751 /nfs/dbraw/zinc/95/17/51/386951751.db2.gz YQAQXLBEEUGCDY-MWLCHTKSSA-N 2 1 222.336 1.135 20 0 BDADMP C[C@H]1CCCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000334965855 387046619 /nfs/dbraw/zinc/04/66/19/387046619.db2.gz ADEPKUJDKYIKEJ-ZDUSSCGKSA-N 2 1 225.380 1.014 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCOC2)CC[NH2+]1 ZINC000398890660 387012946 /nfs/dbraw/zinc/01/29/46/387012946.db2.gz MQLWUQHKMKDAMC-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000519154355 387024839 /nfs/dbraw/zinc/02/48/39/387024839.db2.gz HMTVCYPMEZCGLX-MRVPVSSYSA-N 2 1 224.308 1.453 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCCF)C1 ZINC000639766904 387071466 /nfs/dbraw/zinc/07/14/66/387071466.db2.gz PQHRAWOUPDCKEM-GFCCVEGCSA-N 2 1 232.343 1.125 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000336765519 387094839 /nfs/dbraw/zinc/09/48/39/387094839.db2.gz ODGMESIPVAXMPQ-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000336765519 387094841 /nfs/dbraw/zinc/09/48/41/387094841.db2.gz ODGMESIPVAXMPQ-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000335008953 387102162 /nfs/dbraw/zinc/10/21/62/387102162.db2.gz FKCJYXLMGBBTFM-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH2+]CC1 ZINC000335009773 387105136 /nfs/dbraw/zinc/10/51/36/387105136.db2.gz IIIBIYLMECTBLV-CYBMUJFWSA-N 2 1 239.407 1.448 20 0 BDADMP CN1CCCC(C)(C)[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000335009773 387105138 /nfs/dbraw/zinc/10/51/38/387105138.db2.gz IIIBIYLMECTBLV-CYBMUJFWSA-N 2 1 239.407 1.448 20 0 BDADMP CN(C[C@H](O)C[N@@H+](C)[C@@H]1CC1(C)C)C1CC1 ZINC000352365139 387112845 /nfs/dbraw/zinc/11/28/45/387112845.db2.gz NOHDYTIHTFZISF-NWDGAFQWSA-N 2 1 226.364 1.172 20 0 BDADMP CCc1cc(N2C[C@H](C[NH3+])C[C@H]2C)nc(C)[nH+]1 ZINC000250501999 387124980 /nfs/dbraw/zinc/12/49/80/387124980.db2.gz GPMYWZNVAAURAL-KOLCDFICSA-N 2 1 234.347 1.521 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000423305718 387141424 /nfs/dbraw/zinc/14/14/24/387141424.db2.gz CKWHLIRMVWLZMM-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423306388 387142220 /nfs/dbraw/zinc/14/22/20/387142220.db2.gz DXQVNRCTJRGOSY-XQQFMLRXSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccncc1F ZINC000423307719 387143679 /nfs/dbraw/zinc/14/36/79/387143679.db2.gz NPXGYQSSTJGGDI-RKDXNWHRSA-N 2 1 211.284 1.466 20 0 BDADMP CCCNCC[NH2+][C@H](C)CCCC[NH3+] ZINC000423310498 387145974 /nfs/dbraw/zinc/14/59/74/387145974.db2.gz NOGBHZZOLVSOIB-LLVKDONJSA-N 2 1 201.358 1.093 20 0 BDADMP CCC[NH2+]CCN[C@H](C)CCCC[NH3+] ZINC000423310498 387145977 /nfs/dbraw/zinc/14/59/77/387145977.db2.gz NOGBHZZOLVSOIB-LLVKDONJSA-N 2 1 201.358 1.093 20 0 BDADMP CCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423312176 387148163 /nfs/dbraw/zinc/14/81/63/387148163.db2.gz RKDYXFSBQPJKTA-VXGBXAGGSA-N 2 1 225.380 1.201 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H](COC)C(C)C ZINC000423314504 387155438 /nfs/dbraw/zinc/15/54/38/387155438.db2.gz VWRPZVJLXIQJJT-LLVKDONJSA-N 2 1 202.342 1.247 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H](C)OC ZINC000353209407 387157527 /nfs/dbraw/zinc/15/75/27/387157527.db2.gz YIYMLGAHLMRWSJ-LBPRGKRZSA-N 2 1 216.369 1.685 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423323581 387168469 /nfs/dbraw/zinc/16/84/69/387168469.db2.gz JUEMYVUTQZZUES-BBBLOLIVSA-N 2 1 200.326 1.127 20 0 BDADMP CC(C)[C@H]([NH2+][C@H](C)C[NH3+])c1cccnc1 ZINC000423333919 387180836 /nfs/dbraw/zinc/18/08/36/387180836.db2.gz RXAGMRCFIAXCBX-PWSUYJOCSA-N 2 1 207.321 1.716 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423337786 387185345 /nfs/dbraw/zinc/18/53/45/387185345.db2.gz VRGAWXBGKIAUSQ-BXUZGUMPSA-N 2 1 218.344 1.945 20 0 BDADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1cnn(C)c1 ZINC000423341869 387190392 /nfs/dbraw/zinc/19/03/92/387190392.db2.gz YECBZRVNVHULRH-NSHDSACASA-N 2 1 222.336 1.342 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000423300478 387132815 /nfs/dbraw/zinc/13/28/15/387132815.db2.gz DYJPYWUVRHCKHM-XUXIUFHCSA-N 2 1 237.391 1.201 20 0 BDADMP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000423303246 387136834 /nfs/dbraw/zinc/13/68/34/387136834.db2.gz IPMHPYZBLDWXHN-DTWKUNHWSA-N 2 1 240.303 1.312 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccn(C)n1 ZINC000423304088 387137405 /nfs/dbraw/zinc/13/74/05/387137405.db2.gz JUFDMKIJVKXRDI-UWVGGRQHSA-N 2 1 210.325 1.056 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088287730 387138470 /nfs/dbraw/zinc/13/84/70/387138470.db2.gz ZTRMXFFQNWDZHM-OKILXGFUSA-N 2 1 216.328 1.646 20 0 BDADMP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423353890 387205909 /nfs/dbraw/zinc/20/59/09/387205909.db2.gz FFHCGRIORCVVSE-UPJWGTAASA-N 2 1 226.364 1.533 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423357341 387207978 /nfs/dbraw/zinc/20/79/78/387207978.db2.gz AAHITLSFRWYXAJ-UWVGGRQHSA-N 2 1 228.336 1.045 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000423427128 387252669 /nfs/dbraw/zinc/25/26/69/387252669.db2.gz IEIXUYWTQBLZTN-UPJWGTAASA-N 2 1 227.396 1.624 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423359091 387209789 /nfs/dbraw/zinc/20/97/89/387209789.db2.gz KDCXRYWXPPRQDY-XUXIUFHCSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423360684 387213720 /nfs/dbraw/zinc/21/37/20/387213720.db2.gz GDYSCGZHHLSZPZ-VYUIOLGVSA-N 2 1 222.307 1.996 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353491984 387215423 /nfs/dbraw/zinc/21/54/23/387215423.db2.gz MBKXNEGTQOYFMW-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP Cc1cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cs1 ZINC000423427727 387252881 /nfs/dbraw/zinc/25/28/81/387252881.db2.gz JOEJWMYHYFBKPV-YJQGPUDQSA-N 2 1 222.357 1.925 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353491985 387216486 /nfs/dbraw/zinc/21/64/86/387216486.db2.gz MBKXNEGTQOYFMW-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP CCC1(CC)[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000423367971 387220500 /nfs/dbraw/zinc/22/05/00/387220500.db2.gz ZIIUOURQTVRHHI-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423367797 387222004 /nfs/dbraw/zinc/22/20/04/387222004.db2.gz RKPKLHJBXHHITC-XJFOESAGSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367797 387222006 /nfs/dbraw/zinc/22/20/06/387222006.db2.gz RKPKLHJBXHHITC-XJFOESAGSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367797 387222008 /nfs/dbraw/zinc/22/20/08/387222008.db2.gz RKPKLHJBXHHITC-XJFOESAGSA-N 3 1 239.407 1.447 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H](COC)C1CCOCC1 ZINC000423370676 387224315 /nfs/dbraw/zinc/22/43/15/387224315.db2.gz DUAJVBYZQMFINW-YPMHNXCESA-N 2 1 244.379 1.016 20 0 BDADMP CC(C)CC[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000572048687 387226852 /nfs/dbraw/zinc/22/68/52/387226852.db2.gz NIPFFLIKZHOCBT-ZDUSSCGKSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H](CCCC[NH3+])N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423425478 387253339 /nfs/dbraw/zinc/25/33/39/387253339.db2.gz GUSFZPZFMTXWLU-SRVKXCTJSA-N 2 1 213.369 1.234 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423399681 387236062 /nfs/dbraw/zinc/23/60/62/387236062.db2.gz PTFGYLMGVHHGOD-GXFFZTMASA-N 2 1 219.332 1.860 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336410453 387238350 /nfs/dbraw/zinc/23/83/50/387238350.db2.gz DEUODDCTJJCSQY-GXFFZTMASA-N 2 1 244.342 1.732 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353610547 387241706 /nfs/dbraw/zinc/24/17/06/387241706.db2.gz WRTGAISBWUGYTQ-DGAVXFQQSA-N 2 1 240.391 1.610 20 0 BDADMP COC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C(C)C ZINC000423410927 387246038 /nfs/dbraw/zinc/24/60/38/387246038.db2.gz ASANTDRGZBENFR-STQMWFEESA-N 2 1 244.379 1.016 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH3+] ZINC000423410005 387246747 /nfs/dbraw/zinc/24/67/47/387246747.db2.gz ZLYMLSZBCMQBAE-DCAQKATOSA-N 2 1 200.326 1.128 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000229803252 387200855 /nfs/dbraw/zinc/20/08/55/387200855.db2.gz DHUNQIHZIVFTCV-UHFFFAOYSA-N 2 1 238.379 1.548 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000229803252 387200859 /nfs/dbraw/zinc/20/08/59/387200859.db2.gz DHUNQIHZIVFTCV-UHFFFAOYSA-N 2 1 238.379 1.548 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)CC[N@H+]1C ZINC000423467225 387315908 /nfs/dbraw/zinc/31/59/08/387315908.db2.gz DIGOQQMMMBLXTR-VWYCJHECSA-N 2 1 247.333 1.056 20 0 BDADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1nccs1 ZINC000120585564 387255113 /nfs/dbraw/zinc/25/51/13/387255113.db2.gz TYLQPYVWBXWAGQ-JTQLQIEISA-N 2 1 239.388 1.930 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423382985 387266450 /nfs/dbraw/zinc/26/64/50/387266450.db2.gz OYNGGDVOYOWKMR-IJLUTSLNSA-N 2 1 213.369 1.057 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423385211 387269052 /nfs/dbraw/zinc/26/90/52/387269052.db2.gz QQBNQVDZHPPKJD-IJLUTSLNSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000423390695 387275960 /nfs/dbraw/zinc/27/59/60/387275960.db2.gz KEMNOLPVDIFXGG-RGDJUOJXSA-N 2 1 239.407 1.445 20 0 BDADMP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)[C@H]1CCCO1 ZINC000423394264 387281849 /nfs/dbraw/zinc/28/18/49/387281849.db2.gz RXAATOJLNOZPMY-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000423431061 387282113 /nfs/dbraw/zinc/28/21/13/387282113.db2.gz LHNSEJGRVUTDMW-CPOMMVLXSA-N 2 1 237.372 1.628 20 0 BDADMP CC(C)[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccnc1 ZINC000423436930 387286747 /nfs/dbraw/zinc/28/67/47/387286747.db2.gz QAIGHVIGGPLKFD-RQJABVFESA-N 2 1 231.343 1.586 20 0 BDADMP C[N@@H+](CCOCC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000121032965 387290642 /nfs/dbraw/zinc/29/06/42/387290642.db2.gz PCGLIITUDOJJJF-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CCOCC1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000121032965 387290647 /nfs/dbraw/zinc/29/06/47/387290647.db2.gz PCGLIITUDOJJJF-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CCOCC1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121032965 387290649 /nfs/dbraw/zinc/29/06/49/387290649.db2.gz PCGLIITUDOJJJF-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)C[N@H+]1C1CC1 ZINC000643501584 387356236 /nfs/dbraw/zinc/35/62/36/387356236.db2.gz LLYREGGCYPXKEL-UPJWGTAASA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CCOC1 ZINC000423531460 387357495 /nfs/dbraw/zinc/35/74/95/387357495.db2.gz QJKRNKCRCBDTGU-DRZSPHRISA-N 2 1 226.364 1.519 20 0 BDADMP C[C@H]1C[C@H](NCCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000423530344 387358057 /nfs/dbraw/zinc/35/80/57/387358057.db2.gz RCRZALNDGWIEDD-AAEUAGOBSA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423530785 387358837 /nfs/dbraw/zinc/35/88/37/387358837.db2.gz ZFDOAMVSMHDQDZ-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cn1 ZINC000643464514 387365567 /nfs/dbraw/zinc/36/55/67/387365567.db2.gz OUQGPBYYDMRIKQ-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502634 387366299 /nfs/dbraw/zinc/36/62/99/387366299.db2.gz LXXKBSCUQZQCOH-AAEUAGOBSA-N 2 1 222.332 1.942 20 0 BDADMP COc1cccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000515404013 387377556 /nfs/dbraw/zinc/37/75/56/387377556.db2.gz BAHJPRZVEJJVCS-UWVGGRQHSA-N 2 1 208.305 1.693 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000373554371 387381626 /nfs/dbraw/zinc/38/16/26/387381626.db2.gz LLEWRAVOKUVBRR-NEPJUHHUSA-N 2 1 237.347 1.460 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462873 387320717 /nfs/dbraw/zinc/32/07/17/387320717.db2.gz PXONHHBTUQVDBE-MRVWCRGKSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000423483736 387328422 /nfs/dbraw/zinc/32/84/22/387328422.db2.gz ZBRUESCJTNAFEQ-TUAOUCFPSA-N 3 1 248.374 1.662 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423483715 387328568 /nfs/dbraw/zinc/32/85/68/387328568.db2.gz YXRWJZUIVUHWJQ-VOAKCMCISA-N 3 1 225.380 1.092 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCOC[C@@H](C)C1 ZINC000372811222 387329218 /nfs/dbraw/zinc/32/92/18/387329218.db2.gz CCEYPLCVCSKFSV-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCOC[C@@H](C)C1 ZINC000372811222 387329225 /nfs/dbraw/zinc/32/92/25/387329225.db2.gz CCEYPLCVCSKFSV-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)C1COC1 ZINC000515068712 387331364 /nfs/dbraw/zinc/33/13/64/387331364.db2.gz BUBBZPMXGOGPKX-UHFFFAOYSA-N 2 1 223.320 1.073 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)C1COC1 ZINC000515068712 387331369 /nfs/dbraw/zinc/33/13/69/387331369.db2.gz BUBBZPMXGOGPKX-UHFFFAOYSA-N 2 1 223.320 1.073 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000321957015 387334085 /nfs/dbraw/zinc/33/40/85/387334085.db2.gz XXFGLYWWJITQGQ-LOWDOPEQSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423490617 387335721 /nfs/dbraw/zinc/33/57/21/387335721.db2.gz IHPYPGRVHANSAZ-KSTCHIGDSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423490617 387335726 /nfs/dbraw/zinc/33/57/26/387335726.db2.gz IHPYPGRVHANSAZ-KSTCHIGDSA-N 2 1 239.407 1.432 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423490618 387335978 /nfs/dbraw/zinc/33/59/78/387335978.db2.gz IHPYPGRVHANSAZ-POQQGIQPSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423490618 387335983 /nfs/dbraw/zinc/33/59/83/387335983.db2.gz IHPYPGRVHANSAZ-POQQGIQPSA-N 2 1 239.407 1.432 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccncc1 ZINC000423493746 387337737 /nfs/dbraw/zinc/33/77/37/387337737.db2.gz QZXIOXBEHNVMAB-KGLIPLIRSA-N 2 1 249.358 1.501 20 0 BDADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423505044 387343971 /nfs/dbraw/zinc/34/39/71/387343971.db2.gz GJQZBDXALXHRMQ-RQJABVFESA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423513651 387348040 /nfs/dbraw/zinc/34/80/40/387348040.db2.gz VNBUYISXHURPPB-KGYLQXTDSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423513651 387348044 /nfs/dbraw/zinc/34/80/44/387348044.db2.gz VNBUYISXHURPPB-KGYLQXTDSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1CN([C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423516344 387350157 /nfs/dbraw/zinc/35/01/57/387350157.db2.gz WPEGXRKVEWMARA-REWJHTLYSA-N 3 1 239.407 1.243 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000423516931 387350639 /nfs/dbraw/zinc/35/06/39/387350639.db2.gz YICDQTFUOWBOEW-WXHSDQCUSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423520159 387353023 /nfs/dbraw/zinc/35/30/23/387353023.db2.gz PUNNYQVMQIQVMA-GXTWGEPZSA-N 2 1 234.343 1.716 20 0 BDADMP CC1(C)[C@H]([NH2+]CC[NH2+]C2CC2)[C@@H]2CCCO[C@H]21 ZINC000643506807 387461737 /nfs/dbraw/zinc/46/17/37/387461737.db2.gz JHDJWWRTWPLLBQ-YNEHKIRRSA-N 2 1 238.375 1.532 20 0 BDADMP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000515637873 387403929 /nfs/dbraw/zinc/40/39/29/387403929.db2.gz ZTFHFYGVPNQRPI-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](CC)C[C@@H]1C ZINC000352658180 387422454 /nfs/dbraw/zinc/42/24/54/387422454.db2.gz DIIMKGXFZACRTQ-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122322616 387514703 /nfs/dbraw/zinc/51/47/03/387514703.db2.gz XEZYKXFAZSAPEV-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000516492312 387516349 /nfs/dbraw/zinc/51/63/49/387516349.db2.gz VXLPOGYIWURVII-QNWHQSFQSA-N 3 1 225.380 1.234 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cn1 ZINC000375334830 387529147 /nfs/dbraw/zinc/52/91/47/387529147.db2.gz DCAPRXXMNHXKOV-CHWSQXEVSA-N 2 1 235.331 1.527 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000361766047 387531530 /nfs/dbraw/zinc/53/15/30/387531530.db2.gz RCNPXNYZRYSADN-VXGBXAGGSA-N 2 1 239.363 1.985 20 0 BDADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC[NH3+])c1ccccc1 ZINC000424011911 387465559 /nfs/dbraw/zinc/46/55/59/387465559.db2.gz RQAIJTRUOLKFRO-CYBMUJFWSA-N 2 1 249.358 1.097 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643507650 387479183 /nfs/dbraw/zinc/47/91/83/387479183.db2.gz LOKOKGHYACVENW-VXGBXAGGSA-N 2 1 212.337 1.286 20 0 BDADMP C[N@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@@H]2CCC[C@@H]21 ZINC000643507930 387481233 /nfs/dbraw/zinc/48/12/33/387481233.db2.gz WMGWQIIVMFTSTH-IHRRRGAJSA-N 2 1 237.391 1.201 20 0 BDADMP C(C[NH2+]C1CC1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000643508254 387481529 /nfs/dbraw/zinc/48/15/29/387481529.db2.gz XSVSMOQTDYFLMJ-ZDUSSCGKSA-N 2 1 208.349 1.907 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000643508342 387488359 /nfs/dbraw/zinc/48/83/59/387488359.db2.gz PDMRCIIKTVYGID-UONOGXRCSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000643508342 387488365 /nfs/dbraw/zinc/48/83/65/387488365.db2.gz PDMRCIIKTVYGID-UONOGXRCSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000643508342 387488371 /nfs/dbraw/zinc/48/83/71/387488371.db2.gz PDMRCIIKTVYGID-UONOGXRCSA-N 3 1 239.407 1.591 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400718395 387581238 /nfs/dbraw/zinc/58/12/38/387581238.db2.gz NSQCTRMRPMOITA-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000643510609 387582587 /nfs/dbraw/zinc/58/25/87/387582587.db2.gz WUTSQBKFBZKDKN-PWSUYJOCSA-N 2 1 236.363 1.758 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000355882773 387589933 /nfs/dbraw/zinc/58/99/33/387589933.db2.gz SJFUZCGXCSSLAX-SECBINFHSA-N 2 1 224.270 1.822 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000355882773 387589935 /nfs/dbraw/zinc/58/99/35/387589935.db2.gz SJFUZCGXCSSLAX-SECBINFHSA-N 2 1 224.270 1.822 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400737839 387595034 /nfs/dbraw/zinc/59/50/34/387595034.db2.gz SBCMXWLZTMSTBV-YVECIDJPSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnc(N)c2)C[C@@H]1C[NH3+] ZINC000422638216 387610258 /nfs/dbraw/zinc/61/02/58/387610258.db2.gz PZEBGEXGKCIOKF-WZRBSPASSA-N 2 1 248.374 1.299 20 0 BDADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccn1 ZINC000527540534 387610550 /nfs/dbraw/zinc/61/05/50/387610550.db2.gz TXTRFAXDJSTASA-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccn1 ZINC000527540534 387610557 /nfs/dbraw/zinc/61/05/57/387610557.db2.gz TXTRFAXDJSTASA-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccn1 ZINC000527540534 387610562 /nfs/dbraw/zinc/61/05/62/387610562.db2.gz TXTRFAXDJSTASA-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccn1 ZINC000527540534 387610565 /nfs/dbraw/zinc/61/05/65/387610565.db2.gz TXTRFAXDJSTASA-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCC[NH2+]1 ZINC000422695385 387612813 /nfs/dbraw/zinc/61/28/13/387612813.db2.gz PUDCUKLMWQUWEI-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422694711 387613988 /nfs/dbraw/zinc/61/39/88/387613988.db2.gz OIMTYDMOLVLGFI-MOKVOYLWSA-N 3 1 239.407 1.435 20 0 BDADMP CCN1CC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422694711 387613993 /nfs/dbraw/zinc/61/39/93/387613993.db2.gz OIMTYDMOLVLGFI-MOKVOYLWSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422699917 387616471 /nfs/dbraw/zinc/61/64/71/387616471.db2.gz FLAONTSDQYFUPT-XBFCOCLRSA-N 2 1 240.391 1.658 20 0 BDADMP CC[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124479080 387618275 /nfs/dbraw/zinc/61/82/75/387618275.db2.gz RYRPLDXNMFBOHJ-CYBMUJFWSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@@H+](C)C1CCCCC1 ZINC000422702320 387619019 /nfs/dbraw/zinc/61/90/19/387619019.db2.gz KKSWEHPGISGPOT-CHWSQXEVSA-N 2 1 241.423 1.966 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422708544 387622251 /nfs/dbraw/zinc/62/22/51/387622251.db2.gz JBRPMMDMTHMPFX-ZIAGYGMSSA-N 2 1 241.423 1.968 20 0 BDADMP C[N@@H+](CCCO)C1CC[NH+](CC2CC2)CC1 ZINC000305075049 387546985 /nfs/dbraw/zinc/54/69/85/387546985.db2.gz NHLVMMQFGNZQLG-UHFFFAOYSA-N 2 1 226.364 1.175 20 0 BDADMP COCC(C)(C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000426396783 387564505 /nfs/dbraw/zinc/56/45/05/387564505.db2.gz OTOKKMQPTZPFFR-UHFFFAOYSA-N 2 1 242.407 1.933 20 0 BDADMP CC[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000355682810 387566112 /nfs/dbraw/zinc/56/61/12/387566112.db2.gz MHVWGNLPXJOPPG-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422715938 387627676 /nfs/dbraw/zinc/62/76/76/387627676.db2.gz SYXUCRPDFPPIBB-OPQQBVKSSA-N 2 1 237.347 1.552 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000305170943 387569605 /nfs/dbraw/zinc/56/96/05/387569605.db2.gz UGODTCVPVIYRIZ-XJFOESAGSA-N 2 1 242.407 1.712 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422719143 387630025 /nfs/dbraw/zinc/63/00/25/387630025.db2.gz XQFSFSNLCNHAHU-LOWDOPEQSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)[C@](C)(CN)[NH2+]CC(=O)Nc1ccccc1 ZINC000430595060 387630168 /nfs/dbraw/zinc/63/01/68/387630168.db2.gz XBEBWFVZOAWUCM-AWEZNQCLSA-N 2 1 249.358 1.588 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000422720976 387634155 /nfs/dbraw/zinc/63/41/55/387634155.db2.gz NARVEVKYKJGRKB-AGIUHOORSA-N 3 1 227.396 1.434 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422725053 387635192 /nfs/dbraw/zinc/63/51/92/387635192.db2.gz AGTZEDRQRGKTFK-KGLIPLIRSA-N 3 1 241.423 1.696 20 0 BDADMP CCc1noc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)n1 ZINC000430630248 387635773 /nfs/dbraw/zinc/63/57/73/387635773.db2.gz RMHRTENCLRHFCS-SECBINFHSA-N 2 1 238.335 1.364 20 0 BDADMP CCCCOCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422726193 387636865 /nfs/dbraw/zinc/63/68/65/387636865.db2.gz DJWADCDJRKRCMO-QWHCGFSZSA-N 2 1 228.380 1.781 20 0 BDADMP C[C@H]([NH2+]CCC1CCOCC1)c1c[nH+]ccc1N ZINC000422737031 387645484 /nfs/dbraw/zinc/64/54/84/387645484.db2.gz WXYVLSNUMOEVOY-NSHDSACASA-N 2 1 249.358 1.961 20 0 BDADMP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000422737406 387645540 /nfs/dbraw/zinc/64/55/40/387645540.db2.gz IAOIYJJKTMDZLR-NQBHXWOUSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422738945 387646570 /nfs/dbraw/zinc/64/65/70/387646570.db2.gz KNGAQGYZGMZZHQ-GXTWGEPZSA-N 3 1 239.407 1.306 20 0 BDADMP C[N@@H+](CCCn1ccnc1)[C@H](CO)C(C)(C)C ZINC000305759538 387646998 /nfs/dbraw/zinc/64/69/98/387646998.db2.gz BSSMEPRBBXGWBM-GFCCVEGCSA-N 2 1 239.363 1.612 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCO1)c1c[nH+]ccc1N ZINC000422740895 387648606 /nfs/dbraw/zinc/64/86/06/387648606.db2.gz CMLKNIJSCCQSKA-ZJUUUORDSA-N 2 1 221.304 1.324 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125312161 387652221 /nfs/dbraw/zinc/65/22/21/387652221.db2.gz SZDAQJWGADSQOH-MJBXVCDLSA-N 2 1 240.391 1.862 20 0 BDADMP CCN(CC)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422749164 387654263 /nfs/dbraw/zinc/65/42/63/387654263.db2.gz XVQLAJUOQMCNEJ-CHWSQXEVSA-N 2 1 227.396 1.306 20 0 BDADMP CCCCOCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422792816 387695418 /nfs/dbraw/zinc/69/54/18/387695418.db2.gz ZMRFFGQRHBLVPF-STQMWFEESA-N 2 1 228.380 1.923 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422750019 387656912 /nfs/dbraw/zinc/65/69/12/387656912.db2.gz BWNLKYZSSVDVQQ-AGIUHOORSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1C[NH2+]C1 ZINC000422761876 387664257 /nfs/dbraw/zinc/66/42/57/387664257.db2.gz NAWCZCGXNROLFT-DGCLKSJQSA-N 3 1 241.423 1.550 20 0 BDADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422765787 387664632 /nfs/dbraw/zinc/66/46/32/387664632.db2.gz LFHBSHLBOKYEJU-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422764127 387666362 /nfs/dbraw/zinc/66/63/62/387666362.db2.gz UOBKQQRAOVDZPV-MELADBBJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000422767781 387667189 /nfs/dbraw/zinc/66/71/89/387667189.db2.gz ROCLQIZQQOQHLI-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)ccn1 ZINC000527709187 387668602 /nfs/dbraw/zinc/66/86/02/387668602.db2.gz DQEFVKSNLSLNST-LBPRGKRZSA-N 2 1 242.326 1.760 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000422775389 387673480 /nfs/dbraw/zinc/67/34/80/387673480.db2.gz BLOWNJDNNYYJGL-ZIAGYGMSSA-N 3 1 241.423 1.824 20 0 BDADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422780333 387678121 /nfs/dbraw/zinc/67/81/21/387678121.db2.gz CVWIDPZNBWDDET-ZDEQEGDKSA-N 2 1 226.364 1.674 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422780332 387678923 /nfs/dbraw/zinc/67/89/23/387678923.db2.gz CVWIDPZNBWDDET-YVECIDJPSA-N 2 1 226.364 1.674 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422781896 387681064 /nfs/dbraw/zinc/68/10/64/387681064.db2.gz LHKIVIRIAAVLBQ-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[NH+]1CCCC1 ZINC000422781733 387681454 /nfs/dbraw/zinc/68/14/54/387681454.db2.gz IZGMVTSKLXFRJU-NWDGAFQWSA-N 3 1 213.369 1.188 20 0 BDADMP CCOCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363117229 387691149 /nfs/dbraw/zinc/69/11/49/387691149.db2.gz FQXVXIRHLHFFRH-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363117229 387691152 /nfs/dbraw/zinc/69/11/52/387691152.db2.gz FQXVXIRHLHFFRH-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363117229 387691156 /nfs/dbraw/zinc/69/11/56/387691156.db2.gz FQXVXIRHLHFFRH-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP CC[C@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000161990598 387756241 /nfs/dbraw/zinc/75/62/41/387756241.db2.gz FVKIGMHKVNUQEV-ZDUSSCGKSA-N 2 1 239.363 1.674 20 0 BDADMP CC[C@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000161990598 387756243 /nfs/dbraw/zinc/75/62/43/387756243.db2.gz FVKIGMHKVNUQEV-ZDUSSCGKSA-N 2 1 239.363 1.674 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CCCO)C1 ZINC000452116641 387744197 /nfs/dbraw/zinc/74/41/97/387744197.db2.gz HAFLWLVAAPJNBT-CQSZACIVSA-N 2 1 242.407 1.813 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862094 387744252 /nfs/dbraw/zinc/74/42/52/387744252.db2.gz NJVMRFHSXYPWOY-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871380 387749729 /nfs/dbraw/zinc/74/97/29/387749729.db2.gz ZYKKWJFGZYPKMM-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CC12CC2 ZINC000527843640 387753259 /nfs/dbraw/zinc/75/32/59/387753259.db2.gz CDOCMSWDMCMNFD-ZYHUDNBSSA-N 2 1 208.349 1.859 20 0 BDADMP COCc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422873461 387753672 /nfs/dbraw/zinc/75/36/72/387753672.db2.gz AKUYUUNTZGXYCR-KGLIPLIRSA-N 2 1 234.343 1.802 20 0 BDADMP CC[C@H](NCC[N@@H+](CC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422879837 387754416 /nfs/dbraw/zinc/75/44/16/387754416.db2.gz MVHBBAVTDUNEMB-KBPBESRZSA-N 2 1 239.407 1.591 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000527740297 387706480 /nfs/dbraw/zinc/70/64/80/387706480.db2.gz RHNSYHWCZZKHKA-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422811100 387708842 /nfs/dbraw/zinc/70/88/42/387708842.db2.gz TZTQFLZQUACENO-FRRDWIJNSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCCCCC1 ZINC000422812303 387711570 /nfs/dbraw/zinc/71/15/70/387711570.db2.gz WFLDMTJGCBCUQA-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H](NCc1cccc(C[NH+](C)C)c1)C1C[NH2+]C1 ZINC000422812830 387712172 /nfs/dbraw/zinc/71/21/72/387712172.db2.gz WZZNLFJBWUYGHR-LBPRGKRZSA-N 2 1 247.386 1.446 20 0 BDADMP C[C@@H](F)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367523391 387720364 /nfs/dbraw/zinc/72/03/64/387720364.db2.gz OMHBSUAKVDUPMW-MXWKQRLJSA-N 2 1 200.301 1.228 20 0 BDADMP C[C@@H](F)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000367523391 387720371 /nfs/dbraw/zinc/72/03/71/387720371.db2.gz OMHBSUAKVDUPMW-MXWKQRLJSA-N 2 1 200.301 1.228 20 0 BDADMP C[C@@H](F)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367523391 387720376 /nfs/dbraw/zinc/72/03/76/387720376.db2.gz OMHBSUAKVDUPMW-MXWKQRLJSA-N 2 1 200.301 1.228 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000367549890 387723185 /nfs/dbraw/zinc/72/31/85/387723185.db2.gz HPITZKCKVRGVRT-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367549890 387723190 /nfs/dbraw/zinc/72/31/90/387723190.db2.gz HPITZKCKVRGVRT-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367549890 387723195 /nfs/dbraw/zinc/72/31/95/387723195.db2.gz HPITZKCKVRGVRT-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127702799 387726367 /nfs/dbraw/zinc/72/63/67/387726367.db2.gz ADOQIVYVOHPQBD-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000643523527 387729987 /nfs/dbraw/zinc/72/99/87/387729987.db2.gz RGMMZRXFYMNPBM-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000422852749 387737279 /nfs/dbraw/zinc/73/72/79/387737279.db2.gz BFANLPIPXZVKEX-XUXIUFHCSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)N1CCC[C@H](C)C1 ZINC000422852749 387737281 /nfs/dbraw/zinc/73/72/81/387737281.db2.gz BFANLPIPXZVKEX-XUXIUFHCSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422857398 387740372 /nfs/dbraw/zinc/74/03/72/387740372.db2.gz HIVKSHLLFYIYLF-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCOC1 ZINC000129071901 387762193 /nfs/dbraw/zinc/76/21/93/387762193.db2.gz AJFPITIXZSCPTK-IGQOVBAYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCOC1 ZINC000129071901 387762197 /nfs/dbraw/zinc/76/21/97/387762197.db2.gz AJFPITIXZSCPTK-IGQOVBAYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2F ZINC000643528250 387768193 /nfs/dbraw/zinc/76/81/93/387768193.db2.gz GBPUKWBLYYDYPC-PRHODGIISA-N 2 1 208.280 1.750 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422909695 387769195 /nfs/dbraw/zinc/76/91/95/387769195.db2.gz OSZGGGJHECWEGY-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP FCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000378168225 387770231 /nfs/dbraw/zinc/77/02/31/387770231.db2.gz JWEBLTMYTTVWSF-UPJWGTAASA-N 2 1 226.339 1.762 20 0 BDADMP FCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000378168225 387770234 /nfs/dbraw/zinc/77/02/34/387770234.db2.gz JWEBLTMYTTVWSF-UPJWGTAASA-N 2 1 226.339 1.762 20 0 BDADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[NH3+])CC2 ZINC000643528417 387770265 /nfs/dbraw/zinc/77/02/65/387770265.db2.gz IZUMROXADHZHLH-RNCFNFMXSA-N 2 1 220.316 1.619 20 0 BDADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643529009 387772304 /nfs/dbraw/zinc/77/23/04/387772304.db2.gz SOHRYANSXCKPNL-JOYOIKCWSA-N 2 1 220.316 1.619 20 0 BDADMP CS[C@@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422933874 387782770 /nfs/dbraw/zinc/78/27/70/387782770.db2.gz IPSNUYIBJVBQKY-DTWKUNHWSA-N 2 1 225.361 1.896 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422980705 387792328 /nfs/dbraw/zinc/79/23/28/387792328.db2.gz QQZIPGLUTQMGHT-GXFFZTMASA-N 2 1 237.347 1.552 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422983232 387793061 /nfs/dbraw/zinc/79/30/61/387793061.db2.gz ZBPMNZRBDOMQHV-FRRDWIJNSA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422983244 387794186 /nfs/dbraw/zinc/79/41/86/387794186.db2.gz ZCLMYLRFDMORRB-SKDRFNHKSA-N 2 1 223.320 1.306 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422983242 387794213 /nfs/dbraw/zinc/79/42/13/387794213.db2.gz ZCLMYLRFDMORRB-CABZTGNLSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422990131 387798022 /nfs/dbraw/zinc/79/80/22/387798022.db2.gz MTWZFXLAAXTMJA-BXUZGUMPSA-N 2 1 234.343 1.522 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)CO3)CC[N@H+]1C ZINC000527980424 387798496 /nfs/dbraw/zinc/79/84/96/387798496.db2.gz KAVIKMCVNZSHRW-CQLXCSJHSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527982543 387799809 /nfs/dbraw/zinc/79/98/09/387799809.db2.gz SVJDTKARMJNEAC-NFMDPKQHSA-N 2 1 238.375 1.484 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422994959 387802761 /nfs/dbraw/zinc/80/27/61/387802761.db2.gz WQQVYAIVIVOSCC-SDDRHHMPSA-N 2 1 214.353 1.124 20 0 BDADMP COC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(C)o1 ZINC000423001193 387804546 /nfs/dbraw/zinc/80/45/46/387804546.db2.gz DEQCLDHDKSJEMG-SCVCMEIPSA-N 2 1 240.347 1.991 20 0 BDADMP CCc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])on1 ZINC000643457220 387808462 /nfs/dbraw/zinc/80/84/62/387808462.db2.gz GXDNERGJYUDZOP-RKDXNWHRSA-N 2 1 211.309 1.452 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000157511978 387809489 /nfs/dbraw/zinc/80/94/89/387809489.db2.gz ZQBIZMSSVQHFIV-AGIUHOORSA-N 2 1 240.391 1.467 20 0 BDADMP COC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422954068 387809609 /nfs/dbraw/zinc/80/96/09/387809609.db2.gz HFNUZQZOPYRISO-BXUZGUMPSA-N 2 1 234.343 1.572 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000643526693 387757443 /nfs/dbraw/zinc/75/74/43/387757443.db2.gz DUSLRZRTLHSAQX-CABZTGNLSA-N 2 1 220.316 1.706 20 0 BDADMP C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880921 387758179 /nfs/dbraw/zinc/75/81/79/387758179.db2.gz XUEMCGTWQYRBRU-ZMJPVWNMSA-N 2 1 237.391 1.199 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCC1CCCCC1 ZINC000564095306 387826975 /nfs/dbraw/zinc/82/69/75/387826975.db2.gz ZSIXVOSOBONAEY-AWEZNQCLSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423007559 387828954 /nfs/dbraw/zinc/82/89/54/387828954.db2.gz QZSNHBWHQYFBBN-CYDGBPFRSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423007561 387829113 /nfs/dbraw/zinc/82/91/13/387829113.db2.gz QZSNHBWHQYFBBN-LPWJVIDDSA-N 2 1 226.364 1.125 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423017283 387842062 /nfs/dbraw/zinc/84/20/62/387842062.db2.gz OHJAWXZHSLSSGH-UPJWGTAASA-N 2 1 240.391 1.371 20 0 BDADMP C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423016939 387842104 /nfs/dbraw/zinc/84/21/04/387842104.db2.gz UYTZWNWYQXJXSB-BQUFFADESA-N 2 1 224.348 1.284 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000643533221 387846781 /nfs/dbraw/zinc/84/67/81/387846781.db2.gz UFHAHNWVEBQJCZ-VHSXEESVSA-N 2 1 224.352 1.886 20 0 BDADMP C[C@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000423030885 387847417 /nfs/dbraw/zinc/84/74/17/387847417.db2.gz KCJIAZCXHMNWSQ-RYUDHWBXSA-N 2 1 226.364 1.269 20 0 BDADMP CC[C@@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCC[NH2+]1 ZINC000423033000 387848046 /nfs/dbraw/zinc/84/80/46/387848046.db2.gz FYNLQPYJYDBXTK-OLZOCXBDSA-N 2 1 236.363 1.083 20 0 BDADMP CC(C)OCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423034414 387849053 /nfs/dbraw/zinc/84/90/53/387849053.db2.gz PWLFXJUXMHHKDD-CHWSQXEVSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@H]([NH2+]CCOC(F)(F)F)c1c[nH+]ccc1N ZINC000423073681 387874121 /nfs/dbraw/zinc/87/41/21/387874121.db2.gz RVHGFGJJIZZZCP-ZETCQYMHSA-N 2 1 249.236 1.681 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423038796 387853523 /nfs/dbraw/zinc/85/35/23/387853523.db2.gz PCHZKHFUSLQBTD-KGLIPLIRSA-N 2 1 237.391 1.369 20 0 BDADMP CC1=CC[N@H+](CCN[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423038783 387853538 /nfs/dbraw/zinc/85/35/38/387853538.db2.gz PBBBXXDNXYUSAK-KBPBESRZSA-N 2 1 237.391 1.355 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423038783 387853540 /nfs/dbraw/zinc/85/35/40/387853540.db2.gz PBBBXXDNXYUSAK-KBPBESRZSA-N 2 1 237.391 1.355 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000423074111 387874145 /nfs/dbraw/zinc/87/41/45/387874145.db2.gz TZAFYIWXPKSMCI-GARJFASQSA-N 2 1 235.331 1.712 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1COc2ccc(F)cc21 ZINC000423052714 387860813 /nfs/dbraw/zinc/86/08/13/387860813.db2.gz RBNAQJGEJXPAKO-SBMIAAHKSA-N 2 1 238.306 1.975 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)[C@H]1CCC[NH2+]1 ZINC000643460261 387874599 /nfs/dbraw/zinc/87/45/99/387874599.db2.gz GYPCXIPVHUKQHM-YRGRVCCFSA-N 2 1 233.359 1.915 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423069800 387872455 /nfs/dbraw/zinc/87/24/55/387872455.db2.gz MFLANNUNQYODGV-MMWGEVLESA-N 2 1 200.326 1.140 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])N1CCCC1 ZINC000422962518 387814668 /nfs/dbraw/zinc/81/46/68/387814668.db2.gz FYWOADSPPDODMD-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000422965446 387815602 /nfs/dbraw/zinc/81/56/02/387815602.db2.gz ORIYRCUCFFKJEW-OLZOCXBDSA-N 2 1 238.306 1.287 20 0 BDADMP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442660990 387817699 /nfs/dbraw/zinc/81/76/99/387817699.db2.gz FAEKGCHTJOPBGR-GFCCVEGCSA-N 3 1 227.396 1.387 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000423114714 387896432 /nfs/dbraw/zinc/89/64/32/387896432.db2.gz WAMNJABQOJFEGH-UMSGYPCISA-N 2 1 226.364 1.247 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423111939 387896603 /nfs/dbraw/zinc/89/66/03/387896603.db2.gz RIICFFCSUAFTJV-GHMZBOCLSA-N 2 1 237.347 1.409 20 0 BDADMP CC[C@@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C)C1)OC ZINC000322502273 387876774 /nfs/dbraw/zinc/87/67/74/387876774.db2.gz GKXVQPKNXTUNFX-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423085869 387881498 /nfs/dbraw/zinc/88/14/98/387881498.db2.gz LRQXJGFSGHBOSB-XQQFMLRXSA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423085869 387881503 /nfs/dbraw/zinc/88/15/03/387881503.db2.gz LRQXJGFSGHBOSB-XQQFMLRXSA-N 2 1 239.407 1.576 20 0 BDADMP CCSCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423102887 387888590 /nfs/dbraw/zinc/88/85/90/387888590.db2.gz AGEMRSLMHZAMBN-MNOVXSKESA-N 2 1 216.394 1.717 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423140282 387918140 /nfs/dbraw/zinc/91/81/40/387918140.db2.gz MFLANNUNQYODGV-YTWAJWBKSA-N 2 1 200.326 1.140 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423140278 387919137 /nfs/dbraw/zinc/91/91/37/387919137.db2.gz MFLANNUNQYODGV-GWOFURMSSA-N 2 1 200.326 1.140 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCCCO)CC[N@H+]1C ZINC000158101279 387899438 /nfs/dbraw/zinc/89/94/38/387899438.db2.gz BUQQEEWUMNJXES-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423119457 387901359 /nfs/dbraw/zinc/90/13/59/387901359.db2.gz CKLIUTQPKVLITO-QJPTWQEYSA-N 2 1 215.385 1.431 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423131478 387910050 /nfs/dbraw/zinc/91/00/50/387910050.db2.gz NZFIAGDSKLDWIB-MNOVXSKESA-N 2 1 214.353 1.247 20 0 BDADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423137598 387913348 /nfs/dbraw/zinc/91/33/48/387913348.db2.gz IGBXAFRIESQMCF-STQMWFEESA-N 3 1 229.412 1.824 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423137598 387913351 /nfs/dbraw/zinc/91/33/51/387913351.db2.gz IGBXAFRIESQMCF-STQMWFEESA-N 3 1 229.412 1.824 20 0 BDADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423137596 387914310 /nfs/dbraw/zinc/91/43/10/387914310.db2.gz IGBXAFRIESQMCF-OLZOCXBDSA-N 3 1 229.412 1.824 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423137596 387914314 /nfs/dbraw/zinc/91/43/14/387914314.db2.gz IGBXAFRIESQMCF-OLZOCXBDSA-N 3 1 229.412 1.824 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000423136313 387914320 /nfs/dbraw/zinc/91/43/20/387914320.db2.gz PBIOGBVDYRKAOA-TVQRCGJNSA-N 2 1 235.331 1.570 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423140540 387917746 /nfs/dbraw/zinc/91/77/46/387917746.db2.gz YXQHFLCJFPDRGG-FRRDWIJNSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000423152387 387930179 /nfs/dbraw/zinc/93/01/79/387930179.db2.gz FUQLFZCZSFDXSY-DMDPSCGWSA-N 2 1 236.363 1.081 20 0 BDADMP C[C@@H]([NH2+][C@H]1COCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423156031 387934750 /nfs/dbraw/zinc/93/47/50/387934750.db2.gz LXRSYUCZHXQGFZ-VWYCJHECSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H](NCC[N@@H+]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000392322590 387955573 /nfs/dbraw/zinc/95/55/73/387955573.db2.gz VYAZSJHQDCRTKM-UONOGXRCSA-N 2 1 237.391 1.369 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000423158552 387938201 /nfs/dbraw/zinc/93/82/01/387938201.db2.gz OCEKQRBEDFNOIZ-QWRGUYRKSA-N 2 1 249.362 1.289 20 0 BDADMP Cc1cc(NC[C@@H]2CCC[N@H+]2CCCO)cc[nH+]1 ZINC000450600682 387940390 /nfs/dbraw/zinc/94/03/90/387940390.db2.gz WMKBPGQRZJOIFS-AWEZNQCLSA-N 2 1 249.358 1.071 20 0 BDADMP C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1c[nH+]ccc1N ZINC000423160691 387940980 /nfs/dbraw/zinc/94/09/80/387940980.db2.gz MRBBZTVTNCURFG-NEPJUHHUSA-N 2 1 249.358 1.961 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423162818 387945384 /nfs/dbraw/zinc/94/53/84/387945384.db2.gz QHFWCOJUYPUTIN-RNJOBUHISA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170883 387958130 /nfs/dbraw/zinc/95/81/30/387958130.db2.gz NAEWIVHUIZEIFZ-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170883 387958136 /nfs/dbraw/zinc/95/81/36/387958136.db2.gz NAEWIVHUIZEIFZ-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170883 387958140 /nfs/dbraw/zinc/95/81/40/387958140.db2.gz NAEWIVHUIZEIFZ-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423172771 387958815 /nfs/dbraw/zinc/95/88/15/387958815.db2.gz VDZRTHZIZMNYNQ-YFKTTZPYSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H](CCc1ccccc1F)[NH2+]CC[NH3+] ZINC000423176251 387962215 /nfs/dbraw/zinc/96/22/15/387962215.db2.gz FWAPFASCYFJBPO-SNVBAGLBSA-N 2 1 210.296 1.695 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)[C@@H](C)O1 ZINC000423176240 387962790 /nfs/dbraw/zinc/96/27/90/387962790.db2.gz FUVKSTDZERSEEI-ZOLYEBIHSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cn[nH]c1 ZINC000423176090 387962873 /nfs/dbraw/zinc/96/28/73/387962873.db2.gz GABDSMDBXMGATC-JTQLQIEISA-N 2 1 222.336 1.722 20 0 BDADMP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC[NH3+] ZINC000423178397 387963494 /nfs/dbraw/zinc/96/34/94/387963494.db2.gz FTZLMHWAKAZCBH-QWHCGFSZSA-N 2 1 234.343 1.781 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481077 387969928 /nfs/dbraw/zinc/96/99/28/387969928.db2.gz MFCZPCIRNAYPCS-WDEREUQCSA-N 2 1 246.358 1.789 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000423195777 387979079 /nfs/dbraw/zinc/97/90/79/387979079.db2.gz ZYXZMOPTCONJSA-STQMWFEESA-N 2 1 204.317 1.871 20 0 BDADMP C[C@H]([NH2+][C@H]1CS[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423194993 387979411 /nfs/dbraw/zinc/97/94/11/387979411.db2.gz XCCTXTAKJXLJNV-LMLFDSFASA-N 2 1 214.378 1.611 20 0 BDADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[NH3+] ZINC000423189811 387973752 /nfs/dbraw/zinc/97/37/52/387973752.db2.gz RIPFWXHSPPGDSN-SNVBAGLBSA-N 2 1 210.296 1.695 20 0 BDADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[NH3+] ZINC000423188768 387973934 /nfs/dbraw/zinc/97/39/34/387973934.db2.gz QHOPYBXLRGOQMR-PWSUYJOCSA-N 2 1 208.305 1.311 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH3+])C1(CC)CC ZINC000423192999 387977565 /nfs/dbraw/zinc/97/75/65/387977565.db2.gz WDPNAEQAMKVGRP-WDEREUQCSA-N 2 1 214.353 1.519 20 0 BDADMP C[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2N)CC[NH2+]1 ZINC000424362814 387990691 /nfs/dbraw/zinc/99/06/91/387990691.db2.gz AZSMRDQOSIHXBI-WUHRBBMRSA-N 2 1 225.380 1.234 20 0 BDADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000423209276 387993301 /nfs/dbraw/zinc/99/33/01/387993301.db2.gz IVUVZGAPMPAKRE-RYUDHWBXSA-N 2 1 236.363 1.553 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000156551701 387998443 /nfs/dbraw/zinc/99/84/43/387998443.db2.gz FQEGEXYBEFFCNQ-UPJWGTAASA-N 2 1 228.380 1.730 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000156551701 387998445 /nfs/dbraw/zinc/99/84/45/387998445.db2.gz FQEGEXYBEFFCNQ-UPJWGTAASA-N 2 1 228.380 1.730 20 0 BDADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423219204 387999277 /nfs/dbraw/zinc/99/92/77/387999277.db2.gz VXBJFTLAGKJSHR-FRRDWIJNSA-N 2 1 248.374 1.398 20 0 BDADMP c1cnn(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420405895 388000250 /nfs/dbraw/zinc/00/02/50/388000250.db2.gz UESZNRORZXTEIS-KGLIPLIRSA-N 2 1 248.374 1.347 20 0 BDADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423219208 388000269 /nfs/dbraw/zinc/00/02/69/388000269.db2.gz VXBJFTLAGKJSHR-UPJWGTAASA-N 2 1 248.374 1.398 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000423230286 388015331 /nfs/dbraw/zinc/01/53/31/388015331.db2.gz DFKOYHSFRLBGGT-QJPTWQEYSA-N 2 1 242.363 1.163 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423230208 388015905 /nfs/dbraw/zinc/01/59/05/388015905.db2.gz CYLGHOJHGBUGQM-NEPJUHHUSA-N 2 1 214.353 1.391 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](COC)C1CCCC1 ZINC000423237683 388020977 /nfs/dbraw/zinc/02/09/77/388020977.db2.gz DMIZYCKRGFCXCJ-GFCCVEGCSA-N 2 1 214.353 1.391 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000423239040 388022168 /nfs/dbraw/zinc/02/21/68/388022168.db2.gz ROYRPVLLAXJJDL-RWMBFGLXSA-N 2 1 238.375 1.676 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423251031 388033992 /nfs/dbraw/zinc/03/39/92/388033992.db2.gz VJGGAJAHOUCUHU-MGPQQGTHSA-N 2 1 240.391 1.781 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000156794643 388034943 /nfs/dbraw/zinc/03/49/43/388034943.db2.gz UCSIHKNYUFXXSP-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000156794643 388034947 /nfs/dbraw/zinc/03/49/47/388034947.db2.gz UCSIHKNYUFXXSP-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000156794643 388034950 /nfs/dbraw/zinc/03/49/50/388034950.db2.gz UCSIHKNYUFXXSP-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256079 388036884 /nfs/dbraw/zinc/03/68/84/388036884.db2.gz DJTGVOPWYRTZPQ-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256079 388036888 /nfs/dbraw/zinc/03/68/88/388036888.db2.gz DJTGVOPWYRTZPQ-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000082645595 388039130 /nfs/dbraw/zinc/03/91/30/388039130.db2.gz UAYGNPMQWHSRRN-DGCLKSJQSA-N 2 1 219.332 1.641 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCCC[NH3+] ZINC000423262372 388041038 /nfs/dbraw/zinc/04/10/38/388041038.db2.gz MFYALEBPEUFAFM-VXGBXAGGSA-N 3 1 215.385 1.467 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000423261538 388041077 /nfs/dbraw/zinc/04/10/77/388041077.db2.gz KBDTULPGRPBCFX-SDDRHHMPSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423264001 388042486 /nfs/dbraw/zinc/04/24/86/388042486.db2.gz PJYQIRWXMBJKRS-XQQFMLRXSA-N 2 1 239.407 1.575 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]C[C@H](C)C[NH2+]C)cn1 ZINC000423277031 388058740 /nfs/dbraw/zinc/05/87/40/388058740.db2.gz PIXPTQPDCPTFMS-GHMZBOCLSA-N 2 1 224.352 1.409 20 0 BDADMP C[C@](C[NH3+])([NH2+]Cc1ccccc1)C1CC1 ZINC000083764324 388061007 /nfs/dbraw/zinc/06/10/07/388061007.db2.gz WIUAZMHHYPNXOW-CYBMUJFWSA-N 2 1 204.317 1.904 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423279691 388062324 /nfs/dbraw/zinc/06/23/24/388062324.db2.gz STNZGQPLQKPUHN-VHSXEESVSA-N 2 1 225.311 1.727 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NCC([NH3+])(CC)CC)C1 ZINC000423283955 388067108 /nfs/dbraw/zinc/06/71/08/388067108.db2.gz GCXAEIMMSNYOCX-VXGBXAGGSA-N 2 1 227.396 1.434 20 0 BDADMP CCN1C[C@@H](C)[C@H]([NH2+]CC([NH3+])(CC)CC)C1 ZINC000423283955 388067112 /nfs/dbraw/zinc/06/71/12/388067112.db2.gz GCXAEIMMSNYOCX-VXGBXAGGSA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccncc1 ZINC000423284481 388067789 /nfs/dbraw/zinc/06/77/89/388067789.db2.gz YBNZRIRIKDSYAP-CMPLNLGQSA-N 2 1 207.321 1.716 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423284824 388069168 /nfs/dbraw/zinc/06/91/68/388069168.db2.gz YQGOBICJZMKQDW-NTZNESFSSA-N 2 1 225.380 1.185 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423286508 388071145 /nfs/dbraw/zinc/07/11/45/388071145.db2.gz HSDDCLGMABBFFB-NWDGAFQWSA-N 2 1 239.407 1.719 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423286508 388071149 /nfs/dbraw/zinc/07/11/49/388071149.db2.gz HSDDCLGMABBFFB-NWDGAFQWSA-N 2 1 239.407 1.719 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402160 388073628 /nfs/dbraw/zinc/07/36/28/388073628.db2.gz NFHWAJPWTHVYBZ-VXGBXAGGSA-N 2 1 228.380 1.874 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000423295218 388076875 /nfs/dbraw/zinc/07/68/75/388076875.db2.gz DQHUNQSRSVYUTI-UTUOFQBUSA-N 2 1 214.353 1.661 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCCOC ZINC000423294808 388077624 /nfs/dbraw/zinc/07/76/24/388077624.db2.gz CUEHBNDGPLAJEP-NWDGAFQWSA-N 2 1 216.369 1.909 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423294606 388077744 /nfs/dbraw/zinc/07/77/44/388077744.db2.gz CIZYJGMKTUSDFA-JHJVBQTASA-N 2 1 239.407 1.719 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000423297956 388079954 /nfs/dbraw/zinc/07/99/54/388079954.db2.gz MNZTUHFRTUXDCD-JHJVBQTASA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000085417354 388087546 /nfs/dbraw/zinc/08/75/46/388087546.db2.gz NBWHFRNVDVPKIK-GHMZBOCLSA-N 2 1 249.362 1.106 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)O1 ZINC000453631126 388096036 /nfs/dbraw/zinc/09/60/36/388096036.db2.gz NQCDGVGGBTUSFB-YPMHNXCESA-N 2 1 249.358 1.805 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336661380 388102869 /nfs/dbraw/zinc/10/28/69/388102869.db2.gz JYSYGKRGQFUYRP-AVGNSLFASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccnn1C ZINC000086496270 388103887 /nfs/dbraw/zinc/10/38/87/388103887.db2.gz BQHJGQHSBKCYMN-WDEREUQCSA-N 2 1 222.336 1.040 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@H]1CCOC1 ZINC000423268249 388048135 /nfs/dbraw/zinc/04/81/35/388048135.db2.gz UPLMOEAWXDMEGO-FPMFFAJLSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423270827 388049926 /nfs/dbraw/zinc/04/99/26/388049926.db2.gz WZOLYKKRSKAWEX-DGCLKSJQSA-N 3 1 227.396 1.611 20 0 BDADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000162225675 388128387 /nfs/dbraw/zinc/12/83/87/388128387.db2.gz ZJDMBRNBCPNDAA-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103352 388142946 /nfs/dbraw/zinc/14/29/46/388142946.db2.gz DDVOZGWQGRGBRK-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC2(CC1)C[N@H+](C1CCCC1)CCO2 ZINC000646105689 388143210 /nfs/dbraw/zinc/14/32/10/388143210.db2.gz CSAPNRBVBUUJQH-UHFFFAOYSA-N 2 1 238.375 1.726 20 0 BDADMP CC(C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103862 388143404 /nfs/dbraw/zinc/14/34/04/388143404.db2.gz QVXULCQNOMUXJE-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000449569336 388234813 /nfs/dbraw/zinc/23/48/13/388234813.db2.gz BEBNIGLPCXUSRY-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CCSCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000261530169 135157446 /nfs/dbraw/zinc/15/74/46/135157446.db2.gz XOTRHQBLKOTJQQ-JTQLQIEISA-N 2 1 202.367 1.457 20 0 BDADMP COCc1cccc(C[NH2+][C@@H](C)CN)c1 ZINC000234713870 388358855 /nfs/dbraw/zinc/35/88/55/388358855.db2.gz YPGKPZLSQKHRKP-JTQLQIEISA-N 2 1 208.305 1.270 20 0 BDADMP COCc1cccc(C[NH2+][C@@H](C)C[NH3+])c1 ZINC000234713870 388358857 /nfs/dbraw/zinc/35/88/57/388358857.db2.gz YPGKPZLSQKHRKP-JTQLQIEISA-N 2 1 208.305 1.270 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572643162 388362885 /nfs/dbraw/zinc/36/28/85/388362885.db2.gz LLRSYORXGJRULH-HZSPNIEDSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000300376714 388363735 /nfs/dbraw/zinc/36/37/35/388363735.db2.gz JXEBAUYMGZKLKM-YFKTTZPYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000300387414 388365206 /nfs/dbraw/zinc/36/52/06/388365206.db2.gz ZYMCLBYTRDGCGM-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235697498 388374221 /nfs/dbraw/zinc/37/42/21/388374221.db2.gz YTTYXAJJWPTPPX-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]([N@@H+](C)CCOCC[NH3+])C1(C)CC1 ZINC000261536020 135171031 /nfs/dbraw/zinc/17/10/31/135171031.db2.gz QBXQSUKCCSHATI-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP FC1(F)CC[C@@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000300811304 388395262 /nfs/dbraw/zinc/39/52/62/388395262.db2.gz FGATXFJKDWAXDP-SNVBAGLBSA-N 2 1 218.291 1.717 20 0 BDADMP FC1(F)CC[C@@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000300811304 388395264 /nfs/dbraw/zinc/39/52/64/388395264.db2.gz FGATXFJKDWAXDP-SNVBAGLBSA-N 2 1 218.291 1.717 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393910619 388445699 /nfs/dbraw/zinc/44/56/99/388445699.db2.gz BJZBRVIRAMHDRS-QEYWKRMJSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393910619 388445701 /nfs/dbraw/zinc/44/57/01/388445701.db2.gz BJZBRVIRAMHDRS-QEYWKRMJSA-N 2 1 218.291 1.570 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000394050937 388449925 /nfs/dbraw/zinc/44/99/25/388449925.db2.gz NLHPOXSRGMCTCA-GFCCVEGCSA-N 2 1 240.391 1.467 20 0 BDADMP c1[nH+]c2c(n1CC[C@@H]1CC[NH2+]C1)CCCC2 ZINC000335660869 388452439 /nfs/dbraw/zinc/45/24/39/388452439.db2.gz ADNCQFAYIWMYTD-NSHDSACASA-N 2 1 219.332 1.762 20 0 BDADMP c1[nH+]c2c(n1CC[C@H]1CC[NH2+]C1)CCCC2 ZINC000335660868 388452445 /nfs/dbraw/zinc/45/24/45/388452445.db2.gz ADNCQFAYIWMYTD-LLVKDONJSA-N 2 1 219.332 1.762 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000397405811 388467255 /nfs/dbraw/zinc/46/72/55/388467255.db2.gz SZQDZOOSZMHUPF-AGIUHOORSA-N 2 1 233.359 1.887 20 0 BDADMP CC(C)C[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000307821764 388427828 /nfs/dbraw/zinc/42/78/28/388427828.db2.gz VFEDYDJQRFRIDO-CQSZACIVSA-N 2 1 239.407 1.260 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000393522299 388432149 /nfs/dbraw/zinc/43/21/49/388432149.db2.gz QGSOOUUZVCNUDB-MMWGEVLESA-N 2 1 232.318 1.960 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1C ZINC000397779606 388499033 /nfs/dbraw/zinc/49/90/33/388499033.db2.gz NZXHGQHHFYTODM-UJPOAAIJSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000397779606 388499035 /nfs/dbraw/zinc/49/90/35/388499035.db2.gz NZXHGQHHFYTODM-UJPOAAIJSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1([NH+](C)C)CC1 ZINC000397802285 388499946 /nfs/dbraw/zinc/49/99/46/388499946.db2.gz CWPXIRJMHNUOLI-UPJWGTAASA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802285 388499949 /nfs/dbraw/zinc/49/99/49/388499949.db2.gz CWPXIRJMHNUOLI-UPJWGTAASA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802285 388499951 /nfs/dbraw/zinc/49/99/51/388499951.db2.gz CWPXIRJMHNUOLI-UPJWGTAASA-N 2 1 239.407 1.399 20 0 BDADMP C[NH+](C)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000397903894 388510530 /nfs/dbraw/zinc/51/05/30/388510530.db2.gz WEKMFCLXONTNLH-QWHCGFSZSA-N 2 1 237.391 1.297 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000397903894 388510532 /nfs/dbraw/zinc/51/05/32/388510532.db2.gz WEKMFCLXONTNLH-QWHCGFSZSA-N 2 1 237.391 1.297 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000397903894 388510534 /nfs/dbraw/zinc/51/05/34/388510534.db2.gz WEKMFCLXONTNLH-QWHCGFSZSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+](C)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000397903889 388510952 /nfs/dbraw/zinc/51/09/52/388510952.db2.gz WEKMFCLXONTNLH-CHWSQXEVSA-N 2 1 237.391 1.297 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000397903889 388510954 /nfs/dbraw/zinc/51/09/54/388510954.db2.gz WEKMFCLXONTNLH-CHWSQXEVSA-N 2 1 237.391 1.297 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000397903889 388510957 /nfs/dbraw/zinc/51/09/57/388510957.db2.gz WEKMFCLXONTNLH-CHWSQXEVSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000356677975 388549573 /nfs/dbraw/zinc/54/95/73/388549573.db2.gz DXJUJPGQRSFIOE-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000378839678 388519187 /nfs/dbraw/zinc/51/91/87/388519187.db2.gz XGRVIBGERRLKSU-HZSPNIEDSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000378839678 388519189 /nfs/dbraw/zinc/51/91/89/388519189.db2.gz XGRVIBGERRLKSU-HZSPNIEDSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cnccc1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000528507563 388536388 /nfs/dbraw/zinc/53/63/88/388536388.db2.gz WZISOIAWIPXTHK-UHFFFAOYSA-N 2 1 228.299 1.671 20 0 BDADMP Cc1cnccc1C[N@H+]1CCc2nc[nH]c2C1 ZINC000528507563 388536394 /nfs/dbraw/zinc/53/63/94/388536394.db2.gz WZISOIAWIPXTHK-UHFFFAOYSA-N 2 1 228.299 1.671 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548885427 388567962 /nfs/dbraw/zinc/56/79/62/388567962.db2.gz YFSNOUJMZSWSOG-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000549037515 388571548 /nfs/dbraw/zinc/57/15/48/388571548.db2.gz IEHZRQOJBIEOOU-VXGBXAGGSA-N 2 1 237.347 1.331 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC)[C@@H](C)C1 ZINC000245422673 388578096 /nfs/dbraw/zinc/57/80/96/388578096.db2.gz JAWICQBOHYXGHG-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC)[C@@H](C)C1 ZINC000245422673 388578097 /nfs/dbraw/zinc/57/80/97/388578097.db2.gz JAWICQBOHYXGHG-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC)[C@@H](C)C1 ZINC000245422673 388578098 /nfs/dbraw/zinc/57/80/98/388578098.db2.gz JAWICQBOHYXGHG-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000245452659 388580166 /nfs/dbraw/zinc/58/01/66/388580166.db2.gz QONSYUWEQSGOGJ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000245452659 388580168 /nfs/dbraw/zinc/58/01/68/388580168.db2.gz QONSYUWEQSGOGJ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000245452659 388580169 /nfs/dbraw/zinc/58/01/69/388580169.db2.gz QONSYUWEQSGOGJ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000085591140 388670321 /nfs/dbraw/zinc/67/03/21/388670321.db2.gz UOJCBXMWNKUPFS-LBPRGKRZSA-N 2 1 221.348 1.457 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCn2ccnc2)[C@@H](C)C1 ZINC000248035733 388673368 /nfs/dbraw/zinc/67/33/68/388673368.db2.gz RNZNXMYGKCKTEQ-QWHCGFSZSA-N 3 1 236.363 1.203 20 0 BDADMP CCN1CC[C@@H]([NH2+]CCn2ccnc2)[C@@H](C)C1 ZINC000248035733 388673369 /nfs/dbraw/zinc/67/33/69/388673369.db2.gz RNZNXMYGKCKTEQ-QWHCGFSZSA-N 3 1 236.363 1.203 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)CC)[C@H](C)C1 ZINC000248166092 388674071 /nfs/dbraw/zinc/67/40/71/388674071.db2.gz TUAWICSCQYWHFH-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)OC)[C@@H](C)C1 ZINC000248416166 388679317 /nfs/dbraw/zinc/67/93/17/388679317.db2.gz IOFRTIOQOZPPFE-XQQFMLRXSA-N 2 1 228.380 1.683 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)OC)[C@@H](C)C1 ZINC000248416166 388679320 /nfs/dbraw/zinc/67/93/20/388679320.db2.gz IOFRTIOQOZPPFE-XQQFMLRXSA-N 2 1 228.380 1.683 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)OC)[C@@H](C)C1 ZINC000248416166 388679321 /nfs/dbraw/zinc/67/93/21/388679321.db2.gz IOFRTIOQOZPPFE-XQQFMLRXSA-N 2 1 228.380 1.683 20 0 BDADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000154518474 388626264 /nfs/dbraw/zinc/62/62/64/388626264.db2.gz AJSCCWPJWGCKSV-AVGNSLFASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000154518474 388626269 /nfs/dbraw/zinc/62/62/69/388626269.db2.gz AJSCCWPJWGCKSV-AVGNSLFASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000154518474 388626272 /nfs/dbraw/zinc/62/62/72/388626272.db2.gz AJSCCWPJWGCKSV-AVGNSLFASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)CC[N@H+]1C ZINC000154518474 388626278 /nfs/dbraw/zinc/62/62/78/388626278.db2.gz AJSCCWPJWGCKSV-AVGNSLFASA-N 2 1 225.380 1.153 20 0 BDADMP COCCC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000530243440 388639034 /nfs/dbraw/zinc/63/90/34/388639034.db2.gz QYNIMILKMQSMNP-UHFFFAOYSA-N 2 1 214.353 1.472 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222603919 388640826 /nfs/dbraw/zinc/64/08/26/388640826.db2.gz SFIOXRLCQXVQNE-RWMBFGLXSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222603919 388640827 /nfs/dbraw/zinc/64/08/27/388640827.db2.gz SFIOXRLCQXVQNE-RWMBFGLXSA-N 2 1 228.380 1.466 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000251289299 388642712 /nfs/dbraw/zinc/64/27/12/388642712.db2.gz NMLNSYMOHIXTPH-OBJOEFQTSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000251289299 388642714 /nfs/dbraw/zinc/64/27/14/388642714.db2.gz NMLNSYMOHIXTPH-OBJOEFQTSA-N 2 1 237.391 1.330 20 0 BDADMP CC[N@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000222833994 388644921 /nfs/dbraw/zinc/64/49/21/388644921.db2.gz HQTRZPFBSBEPTJ-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000222833994 388644923 /nfs/dbraw/zinc/64/49/23/388644923.db2.gz HQTRZPFBSBEPTJ-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222833994 388644927 /nfs/dbraw/zinc/64/49/27/388644927.db2.gz HQTRZPFBSBEPTJ-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222833994 388644928 /nfs/dbraw/zinc/64/49/28/388644928.db2.gz HQTRZPFBSBEPTJ-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000223057378 388648852 /nfs/dbraw/zinc/64/88/52/388648852.db2.gz YVOLLRASIUISTF-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000223057378 388648855 /nfs/dbraw/zinc/64/88/55/388648855.db2.gz YVOLLRASIUISTF-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000223057378 388648858 /nfs/dbraw/zinc/64/88/58/388648858.db2.gz YVOLLRASIUISTF-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223737161 388656763 /nfs/dbraw/zinc/65/67/63/388656763.db2.gz BRSSLEOLPLRENC-WDEREUQCSA-N 2 1 216.394 1.669 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCF)[C@@H](C)C1 ZINC000247027442 388657628 /nfs/dbraw/zinc/65/76/28/388657628.db2.gz QNZUJADVSUATHW-WDEREUQCSA-N 2 1 202.317 1.666 20 0 BDADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247247756 388661236 /nfs/dbraw/zinc/66/12/36/388661236.db2.gz ZJGJTPSZNOQPEQ-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP COC[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247468593 388663941 /nfs/dbraw/zinc/66/39/41/388663941.db2.gz JAODHPZISLFHQD-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247468593 388663943 /nfs/dbraw/zinc/66/39/43/388663943.db2.gz JAODHPZISLFHQD-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247468593 388663945 /nfs/dbraw/zinc/66/39/45/388663945.db2.gz JAODHPZISLFHQD-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249847860 388734532 /nfs/dbraw/zinc/73/45/32/388734532.db2.gz ORFFOZQDTCDUIT-MJBXVCDLSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000249847860 388734535 /nfs/dbraw/zinc/73/45/35/388734535.db2.gz ORFFOZQDTCDUIT-MJBXVCDLSA-N 2 1 242.407 1.979 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000126739600 388700259 /nfs/dbraw/zinc/70/02/59/388700259.db2.gz YHPIPTBYEPDXIH-CYBMUJFWSA-N 2 1 238.375 1.655 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]CCC[S@](C)=O)CC1 ZINC000127110728 388715296 /nfs/dbraw/zinc/71/52/96/388715296.db2.gz MQURGVLZSHZOAX-MRXNPFEDSA-N 2 1 246.420 1.217 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCO2)CC[N@@H+]1C ZINC000249371275 388718076 /nfs/dbraw/zinc/71/80/76/388718076.db2.gz OZSDSONLRTVVLJ-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCO2)CC[N@H+]1C ZINC000249371275 388718078 /nfs/dbraw/zinc/71/80/78/388718078.db2.gz OZSDSONLRTVVLJ-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCCO2)CC[NH+]1C ZINC000249371275 388718079 /nfs/dbraw/zinc/71/80/79/388718079.db2.gz OZSDSONLRTVVLJ-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCCO2)CC[NH+]1C ZINC000249371275 388718082 /nfs/dbraw/zinc/71/80/82/388718082.db2.gz OZSDSONLRTVVLJ-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249428411 388722066 /nfs/dbraw/zinc/72/20/66/388722066.db2.gz YOLRWPQHFYBJCG-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](CCOC)CC[C@H]1CCCC[NH+]1C ZINC000553938701 388795025 /nfs/dbraw/zinc/79/50/25/388795025.db2.gz LHCHOJCOVFPHOH-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CCOC)CC[C@H]1CCCC[N@@H+]1C ZINC000553938701 388795028 /nfs/dbraw/zinc/79/50/28/388795028.db2.gz LHCHOJCOVFPHOH-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CCOC)CC[C@H]1CCCC[N@H+]1C ZINC000553938701 388795033 /nfs/dbraw/zinc/79/50/33/388795033.db2.gz LHCHOJCOVFPHOH-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CSCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674015 388769974 /nfs/dbraw/zinc/76/99/74/388769974.db2.gz NSCSCYWATGKUSD-NEPJUHHUSA-N 2 1 228.405 1.956 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715543 388775140 /nfs/dbraw/zinc/77/51/40/388775140.db2.gz VYMZKDPGZQTBDJ-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000250451903 388790957 /nfs/dbraw/zinc/79/09/57/388790957.db2.gz VSSMFRZEVFEYCB-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP COCCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129841681 388871935 /nfs/dbraw/zinc/87/19/35/388871935.db2.gz NLZAAYBVEINAEZ-STQMWFEESA-N 2 1 244.379 1.112 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](C)COC ZINC000564686342 388884482 /nfs/dbraw/zinc/88/44/82/388884482.db2.gz BFVPGFDYOMRXRU-CYBMUJFWSA-N 2 1 230.396 1.933 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)[nH]n1 ZINC000564722499 388886246 /nfs/dbraw/zinc/88/62/46/388886246.db2.gz TZIXQLOLTMLZKM-SUZMYJTESA-N 2 1 236.363 1.379 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n[nH]1 ZINC000564722499 388886247 /nfs/dbraw/zinc/88/62/47/388886247.db2.gz TZIXQLOLTMLZKM-SUZMYJTESA-N 2 1 236.363 1.379 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]c(C)c2)[C@@H](C)C1 ZINC000286225003 132214501 /nfs/dbraw/zinc/21/45/01/132214501.db2.gz DFJDIWYJASTTEU-LBPRGKRZSA-N 2 1 219.332 1.920 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000565351345 388938339 /nfs/dbraw/zinc/93/83/39/388938339.db2.gz JYRXRUPYRDAEKG-MXWKQRLJSA-N 2 1 248.317 1.688 20 0 BDADMP COC[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000268856833 389005504 /nfs/dbraw/zinc/00/55/04/389005504.db2.gz ZJLBAUBUOOGBJA-GFCCVEGCSA-N 2 1 223.320 1.206 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccnc1 ZINC000271890246 389024807 /nfs/dbraw/zinc/02/48/07/389024807.db2.gz RSUVGQHFFMNAGA-LBPRGKRZSA-N 2 1 231.343 1.994 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000271815746 389025971 /nfs/dbraw/zinc/02/59/71/389025971.db2.gz LWHLTHLVSMRULA-UHFFFAOYSA-N 2 1 205.305 1.366 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccn1 ZINC000271834796 389027245 /nfs/dbraw/zinc/02/72/45/389027245.db2.gz FOMAMTWBXMAPLD-GFCCVEGCSA-N 2 1 231.343 1.994 20 0 BDADMP Cc1cc(N2CCC(C[NH3+])CC2)nc(C)[nH+]1 ZINC000044514628 132298281 /nfs/dbraw/zinc/29/82/81/132298281.db2.gz MHTNQYMNXMNXAJ-UHFFFAOYSA-N 2 1 220.320 1.269 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1CCCOC1)C1CC1 ZINC000453397371 487528538 /nfs/dbraw/zinc/52/85/38/487528538.db2.gz JHHPMBVJUZDZQW-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000400424163 533341400 /nfs/dbraw/zinc/34/14/00/533341400.db2.gz XVIDECCDWRZQPC-RKFYDKJMSA-N 2 1 237.391 1.342 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000261997216 533363900 /nfs/dbraw/zinc/36/39/00/533363900.db2.gz KYECFSVHPLATGM-QWHCGFSZSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@@H](NCC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400698867 533368230 /nfs/dbraw/zinc/36/82/30/533368230.db2.gz JPXXKUWCIOKZKV-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400448395 533374613 /nfs/dbraw/zinc/37/46/13/533374613.db2.gz QHDJEVKKEQDHHN-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257679182 533377447 /nfs/dbraw/zinc/37/74/47/533377447.db2.gz KPOUPBNYBNNJLX-GFCCVEGCSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CCC[NH2+]1 ZINC000400446943 533434497 /nfs/dbraw/zinc/43/44/97/533434497.db2.gz PUNQFUSZSLRREC-DDHJBXDOSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@@H]1C ZINC000494904885 533645345 /nfs/dbraw/zinc/64/53/45/533645345.db2.gz ZYSJMDKDHHNOTD-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000264299931 132178882 /nfs/dbraw/zinc/17/88/82/132178882.db2.gz TUHDBSORPKWLBD-GFCCVEGCSA-N 2 1 234.347 1.624 20 0 BDADMP Cc1cccc(N2CCC[C@@H](CC[NH3+])C2)[nH+]1 ZINC000069626299 132397825 /nfs/dbraw/zinc/39/78/25/132397825.db2.gz OMMHNQWXOVGUCY-LBPRGKRZSA-N 2 1 219.332 1.955 20 0 BDADMP Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000336069746 134071353 /nfs/dbraw/zinc/07/13/53/134071353.db2.gz ILXJMDHVQUDWCI-LBPRGKRZSA-N 2 1 228.299 1.435 20 0 BDADMP C[C@@H]1[C@H](C)NCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000336079458 134074071 /nfs/dbraw/zinc/07/40/71/134074071.db2.gz KNKFFXWEJKGFQW-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000336079458 134074072 /nfs/dbraw/zinc/07/40/72/134074072.db2.gz KNKFFXWEJKGFQW-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC000336113249 134087064 /nfs/dbraw/zinc/08/70/64/134087064.db2.gz RQPLJCMOAGIEQV-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@@H]3CCOC3)C2)C1 ZINC000336113249 134087065 /nfs/dbraw/zinc/08/70/65/134087065.db2.gz RQPLJCMOAGIEQV-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@@H]3CCOC3)C2)C1 ZINC000336113249 134087066 /nfs/dbraw/zinc/08/70/66/134087066.db2.gz RQPLJCMOAGIEQV-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCOC1 ZINC000352219653 134108746 /nfs/dbraw/zinc/10/87/46/134108746.db2.gz DYPNYUYURQFXKW-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCOC1 ZINC000352219653 134108747 /nfs/dbraw/zinc/10/87/47/134108747.db2.gz DYPNYUYURQFXKW-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000352219653 134108748 /nfs/dbraw/zinc/10/87/48/134108748.db2.gz DYPNYUYURQFXKW-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[N@@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000336214850 134136002 /nfs/dbraw/zinc/13/60/02/134136002.db2.gz BKSPVNSYWITXMP-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H]1C[NH+](C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000336214850 134136003 /nfs/dbraw/zinc/13/60/03/134136003.db2.gz BKSPVNSYWITXMP-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H](CN[C@H]1CCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000217536635 134248119 /nfs/dbraw/zinc/24/81/19/134248119.db2.gz YUYHNMXRYUNXOX-NEPJUHHUSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)N(C)C1CC1 ZINC000217536635 134248120 /nfs/dbraw/zinc/24/81/20/134248120.db2.gz YUYHNMXRYUNXOX-NEPJUHHUSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000217807344 134250369 /nfs/dbraw/zinc/25/03/69/134250369.db2.gz AUGOLHCDEJQADW-SKDRFNHKSA-N 2 1 242.750 1.652 20 0 BDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCSC ZINC000175594427 134287886 /nfs/dbraw/zinc/28/78/86/134287886.db2.gz QCCKHGXHEMPMBO-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP CC(C)[N@@H+](C[C@H](C)O)C[C@@H]1CCC[NH2+]C1 ZINC000220372018 134306174 /nfs/dbraw/zinc/30/61/74/134306174.db2.gz ZEILZACDJMXSQA-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]([NH3+])CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000178655026 134312547 /nfs/dbraw/zinc/31/25/47/134312547.db2.gz SSPOGEDQGINASD-AAEUAGOBSA-N 2 1 249.358 1.143 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000178689214 134312822 /nfs/dbraw/zinc/31/28/22/134312822.db2.gz SGJDPYCWRILHBX-DMDPSCGWSA-N 2 1 237.347 1.595 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000178978996 134313945 /nfs/dbraw/zinc/31/39/45/134313945.db2.gz YFNWNZFSYKCREE-CQSZACIVSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC1CC[NH2+]CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000178978996 134313946 /nfs/dbraw/zinc/31/39/46/134313946.db2.gz YFNWNZFSYKCREE-CQSZACIVSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC1CC[NH2+]CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000178978996 134313947 /nfs/dbraw/zinc/31/39/47/134313947.db2.gz YFNWNZFSYKCREE-CQSZACIVSA-N 3 1 239.407 1.260 20 0 BDADMP CN1CCC[C@@H](C[N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000178978996 134313948 /nfs/dbraw/zinc/31/39/48/134313948.db2.gz YFNWNZFSYKCREE-CQSZACIVSA-N 2 1 239.407 1.260 20 0 BDADMP CN1CCC[C@@H](C[N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000178978996 134313949 /nfs/dbraw/zinc/31/39/49/134313949.db2.gz YFNWNZFSYKCREE-CQSZACIVSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000179039004 134314608 /nfs/dbraw/zinc/31/46/08/134314608.db2.gz SHPMFQYRADHPHU-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](C)C1 ZINC000179039004 134314609 /nfs/dbraw/zinc/31/46/09/134314609.db2.gz SHPMFQYRADHPHU-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP COC1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000220839281 134316165 /nfs/dbraw/zinc/31/61/65/134316165.db2.gz VJFBMXAZNVOTEJ-XSRFYTQQSA-N 2 1 224.348 1.238 20 0 BDADMP CC(C)[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000179308636 134320288 /nfs/dbraw/zinc/32/02/88/134320288.db2.gz YEODWFGIHNHRNY-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000180331990 134328759 /nfs/dbraw/zinc/32/87/59/134328759.db2.gz GNZYLJKPDBXNRA-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)[C@@H](C)C1 ZINC000223404195 134339453 /nfs/dbraw/zinc/33/94/53/134339453.db2.gz LGAAQKHEHAOQOK-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000225204183 134351565 /nfs/dbraw/zinc/35/15/65/134351565.db2.gz UMEQOBPSLIPMFH-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP OCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000226841675 134370001 /nfs/dbraw/zinc/37/00/01/134370001.db2.gz SDNGISNTJHIRKN-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227601695 134387625 /nfs/dbraw/zinc/38/76/25/134387625.db2.gz MTROGMRTUGCPBV-GRYCIOLGSA-N 2 1 213.369 1.009 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227913185 134398900 /nfs/dbraw/zinc/39/89/00/134398900.db2.gz HJFBMSZDFDPSOG-RDBSUJKOSA-N 2 1 248.374 1.488 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227913185 134398901 /nfs/dbraw/zinc/39/89/01/134398901.db2.gz HJFBMSZDFDPSOG-RDBSUJKOSA-N 2 1 248.374 1.488 20 0 BDADMP Cc1ccc(OCC[N@@H+](C)CCC[NH3+])cc1 ZINC000133201251 134677203 /nfs/dbraw/zinc/67/72/03/134677203.db2.gz QYDRNKBMOZUYDW-UHFFFAOYSA-N 2 1 222.332 1.654 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CCOC[C@H]1C)[NH+]1CCCC1 ZINC000248830544 135022643 /nfs/dbraw/zinc/02/26/43/135022643.db2.gz FEBUUESBBIQZOP-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H]1CO ZINC000248917556 135025870 /nfs/dbraw/zinc/02/58/70/135025870.db2.gz KCNOYJUZTFCMEO-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H]1CO ZINC000248917556 135025871 /nfs/dbraw/zinc/02/58/71/135025871.db2.gz KCNOYJUZTFCMEO-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H]1CO ZINC000248917556 135025872 /nfs/dbraw/zinc/02/58/72/135025872.db2.gz KCNOYJUZTFCMEO-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000249297391 135042529 /nfs/dbraw/zinc/04/25/29/135042529.db2.gz DMPKCBRDQSIQEM-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000249758560 135044769 /nfs/dbraw/zinc/04/47/69/135044769.db2.gz VPIWQBAQYPIIRB-JHJVBQTASA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249758560 135044771 /nfs/dbraw/zinc/04/47/71/135044771.db2.gz VPIWQBAQYPIIRB-JHJVBQTASA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249758560 135044773 /nfs/dbraw/zinc/04/47/73/135044773.db2.gz VPIWQBAQYPIIRB-JHJVBQTASA-N 2 1 227.396 1.256 20 0 BDADMP COCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250442167 135055074 /nfs/dbraw/zinc/05/50/74/135055074.db2.gz BCBUIKCBMWKLRF-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250892559 135060691 /nfs/dbraw/zinc/06/06/91/135060691.db2.gz XVVFDLHLVNCLAU-NWINJMCUSA-N 2 1 238.375 1.506 20 0 BDADMP OC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250892559 135060692 /nfs/dbraw/zinc/06/06/92/135060692.db2.gz XVVFDLHLVNCLAU-NWINJMCUSA-N 2 1 238.375 1.506 20 0 BDADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251214565 135065694 /nfs/dbraw/zinc/06/56/94/135065694.db2.gz LQGUNSNPUSZUJB-RFQIPJPRSA-N 2 1 238.375 1.506 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000251276774 135068018 /nfs/dbraw/zinc/06/80/18/135068018.db2.gz FTUJCXIQIQEBTP-IJLUTSLNSA-N 2 1 242.363 1.387 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000251276774 135068019 /nfs/dbraw/zinc/06/80/19/135068019.db2.gz FTUJCXIQIQEBTP-IJLUTSLNSA-N 2 1 242.363 1.387 20 0 BDADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCSC3)CC[N@H+]2C1 ZINC000251420249 135069686 /nfs/dbraw/zinc/06/96/86/135069686.db2.gz SDIQOBDQBHHNPB-GRYCIOLGSA-N 2 1 226.389 1.708 20 0 BDADMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCOCC[NH3+] ZINC000086435555 135084376 /nfs/dbraw/zinc/08/43/76/135084376.db2.gz CXAAFDIWBKRQLY-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)s1 ZINC000086435495 135084784 /nfs/dbraw/zinc/08/47/84/135084784.db2.gz BUKLUSGVNZUXKN-UHFFFAOYSA-N 2 1 248.779 1.809 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000086435777 135084895 /nfs/dbraw/zinc/08/48/95/135084895.db2.gz PNXIIQRVSKHWQL-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252384988 135087784 /nfs/dbraw/zinc/08/77/84/135087784.db2.gz DORGJFZYOVKMBS-GBIKHYSHSA-N 2 1 236.363 1.536 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252384988 135087786 /nfs/dbraw/zinc/08/77/86/135087786.db2.gz DORGJFZYOVKMBS-GBIKHYSHSA-N 2 1 236.363 1.536 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000252450136 135089361 /nfs/dbraw/zinc/08/93/61/135089361.db2.gz DLVHGFPLVJLPRA-FDYHWXHSSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252682972 135095781 /nfs/dbraw/zinc/09/57/81/135095781.db2.gz CZVKNPDUXLJVBD-DMDPSCGWSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252691602 135097232 /nfs/dbraw/zinc/09/72/32/135097232.db2.gz YMSOLVLADSQKEY-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP CCSCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000252688092 135097552 /nfs/dbraw/zinc/09/75/52/135097552.db2.gz NEFYHUHYLDXJSM-WDEREUQCSA-N 2 1 216.394 1.799 20 0 BDADMP COC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703250 135098060 /nfs/dbraw/zinc/09/80/60/135098060.db2.gz MDUIJXTUAGIJLC-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252710921 135099435 /nfs/dbraw/zinc/09/94/35/135099435.db2.gz IAEXQGAHTXVWEK-JHJVBQTASA-N 2 1 228.380 1.323 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC[NH+]1CCCC1 ZINC000252712748 135100925 /nfs/dbraw/zinc/10/09/25/135100925.db2.gz NGNASSOGARBSRM-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000252712748 135100928 /nfs/dbraw/zinc/10/09/28/135100928.db2.gz NGNASSOGARBSRM-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000252712748 135100931 /nfs/dbraw/zinc/10/09/31/135100931.db2.gz NGNASSOGARBSRM-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086886228 135101015 /nfs/dbraw/zinc/10/10/15/135101015.db2.gz BLRJUSNEZJTSAU-MWLCHTKSSA-N 2 1 239.388 1.663 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000252715219 135101215 /nfs/dbraw/zinc/10/12/15/135101215.db2.gz UYMHCBOVIRGFFN-TZMCWYRMSA-N 2 1 233.359 1.554 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000086934791 135103354 /nfs/dbraw/zinc/10/33/54/135103354.db2.gz WTKRRYSWCPPYKB-ONGXEEELSA-N 2 1 214.378 1.564 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000086935438 135103673 /nfs/dbraw/zinc/10/36/73/135103673.db2.gz DJBPUGUMYCBLAH-ZYHUDNBSSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@]1(C[N@@H+](C[C@@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871911 135112057 /nfs/dbraw/zinc/11/20/57/135112057.db2.gz OZWXSKINKUUBCX-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccn1C ZINC000252892613 135116533 /nfs/dbraw/zinc/11/65/33/135116533.db2.gz OENZSRLYDCWJIW-DGCLKSJQSA-N 2 1 221.348 1.455 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccn1C ZINC000252892613 135116537 /nfs/dbraw/zinc/11/65/37/135116537.db2.gz OENZSRLYDCWJIW-DGCLKSJQSA-N 2 1 221.348 1.455 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253266728 135125606 /nfs/dbraw/zinc/12/56/06/135125606.db2.gz XVGASSZFNNERDX-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)O1 ZINC000253312524 135126176 /nfs/dbraw/zinc/12/61/76/135126176.db2.gz WABYMKJPPKYLSU-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)O1 ZINC000253312526 135126238 /nfs/dbraw/zinc/12/62/38/135126238.db2.gz WABYMKJPPKYLSU-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257646712 135137248 /nfs/dbraw/zinc/13/72/48/135137248.db2.gz CFIBDBTZZGODAT-AWEZNQCLSA-N 2 1 248.374 1.222 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257646712 135137249 /nfs/dbraw/zinc/13/72/49/135137249.db2.gz CFIBDBTZZGODAT-AWEZNQCLSA-N 2 1 248.374 1.222 20 0 BDADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000257664996 135138423 /nfs/dbraw/zinc/13/84/23/135138423.db2.gz HCIYNQYBNNMXAJ-UHFFFAOYSA-N 2 1 221.304 1.250 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257684516 135139410 /nfs/dbraw/zinc/13/94/10/135139410.db2.gz HTAZKDAFQUTLBW-CYBMUJFWSA-N 2 1 217.316 1.580 20 0 BDADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000259199642 135140106 /nfs/dbraw/zinc/14/01/06/135140106.db2.gz WTVGJYSCAHWDJE-CYBMUJFWSA-N 2 1 232.327 1.116 20 0 BDADMP CCSCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000261530170 135157241 /nfs/dbraw/zinc/15/72/41/135157241.db2.gz XOTRHQBLKOTJQQ-SNVBAGLBSA-N 2 1 202.367 1.457 20 0 BDADMP Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)nc(C)[nH+]1 ZINC000261530587 135157985 /nfs/dbraw/zinc/15/79/85/135157985.db2.gz CSYRVRRZSCLXJD-PSASIEDQSA-N 2 1 206.293 1.019 20 0 BDADMP C[N@@H+](C[C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000261531442 135160023 /nfs/dbraw/zinc/16/00/23/135160023.db2.gz GNOXDRAGIIVTGI-SNVBAGLBSA-N 2 1 214.378 1.423 20 0 BDADMP CC(C)(C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261531447 135160339 /nfs/dbraw/zinc/16/03/39/135160339.db2.gz GODWNTBNSCIRMF-RYUDHWBXSA-N 2 1 210.365 1.964 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000261532094 135161612 /nfs/dbraw/zinc/16/16/12/135161612.db2.gz JBXNIGCPVRZBTO-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261532163 135162419 /nfs/dbraw/zinc/16/24/19/135162419.db2.gz JLSYJFHIBGTAGB-CHWSQXEVSA-N 2 1 208.349 1.718 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCSC3)C[C@@H]21 ZINC000261533915 135165759 /nfs/dbraw/zinc/16/57/59/135165759.db2.gz LFABFNHBEBXYNW-FVCCEPFGSA-N 2 1 240.416 1.799 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261533901 135165973 /nfs/dbraw/zinc/16/59/73/135165973.db2.gz KYZHLJMLJQLVOZ-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261534469 135166798 /nfs/dbraw/zinc/16/67/98/135166798.db2.gz QWEVFCQQAKOYHE-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534523 135167804 /nfs/dbraw/zinc/16/78/04/135167804.db2.gz RRCUGPKUYSISFA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261539615 135177762 /nfs/dbraw/zinc/17/77/62/135177762.db2.gz AMVGFWVXKXOWTB-NEPJUHHUSA-N 2 1 242.363 1.260 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCCO1 ZINC000261540742 135179844 /nfs/dbraw/zinc/17/98/44/135179844.db2.gz HQCVBHMGKNJZDQ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261542156 135182797 /nfs/dbraw/zinc/18/27/97/135182797.db2.gz BWNDORPPFRHSFD-GJZGRUSLSA-N 2 1 230.355 1.770 20 0 BDADMP C[C@@H](NCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261543717 135184428 /nfs/dbraw/zinc/18/44/28/135184428.db2.gz HZMMPLXADWNISX-HIFRSBDPSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261544352 135185246 /nfs/dbraw/zinc/18/52/46/135185246.db2.gz DTTFGHRVXBJJHE-MROQNXINSA-N 2 1 231.343 1.812 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000084149023 135187438 /nfs/dbraw/zinc/18/74/38/135187438.db2.gz DCKOHSYNLWPTMU-NSHDSACASA-N 2 1 239.388 1.931 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000261549709 135188675 /nfs/dbraw/zinc/18/86/75/135188675.db2.gz PBUYGMYNDIEHLE-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000261550911 135189937 /nfs/dbraw/zinc/18/99/37/135189937.db2.gz PYDJWDVDCCKLFI-OIBJUYFYSA-N 2 1 246.763 1.071 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550999 135190146 /nfs/dbraw/zinc/19/01/46/135190146.db2.gz LSHQQAOYGRXRNI-YNEHKIRRSA-N 2 1 234.347 1.072 20 0 BDADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCCO1 ZINC000261552545 135191532 /nfs/dbraw/zinc/19/15/32/135191532.db2.gz NABBRUZADHGUPV-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cscn1 ZINC000084216877 135193141 /nfs/dbraw/zinc/19/31/41/135193141.db2.gz KXKOEAUBMISZOY-KOLCDFICSA-N 2 1 225.361 1.750 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cscn1 ZINC000084216878 135193274 /nfs/dbraw/zinc/19/32/74/135193274.db2.gz KXKOEAUBMISZOY-GXSJLCMTSA-N 2 1 225.361 1.750 20 0 BDADMP C[C@H]1CCSCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261557879 135198670 /nfs/dbraw/zinc/19/86/70/135198670.db2.gz XTXLFYRUZHDCGQ-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc(C)[nH+]1 ZINC000261558830 135199360 /nfs/dbraw/zinc/19/93/60/135199360.db2.gz SSIIQLGGFMNSJH-NWDGAFQWSA-N 2 1 232.331 1.282 20 0 BDADMP COc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000261558455 135199548 /nfs/dbraw/zinc/19/95/48/135199548.db2.gz SLBINMGNPDSCTH-YPMHNXCESA-N 2 1 234.343 1.783 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000261560359 135201395 /nfs/dbraw/zinc/20/13/95/135201395.db2.gz ZTXJAWRMZOJHIU-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H]1CCOC1 ZINC000261560359 135201397 /nfs/dbraw/zinc/20/13/97/135201397.db2.gz ZTXJAWRMZOJHIU-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]12 ZINC000261562391 135203681 /nfs/dbraw/zinc/20/36/81/135203681.db2.gz BGPCIAHBKMXUNO-MROQNXINSA-N 2 1 224.348 1.225 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC2(C1)CCOCC2 ZINC000261562013 135203808 /nfs/dbraw/zinc/20/38/08/135203808.db2.gz VXOBSVIHGCDIPA-ZDUSSCGKSA-N 2 1 238.375 1.489 20 0 BDADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261567121 135209312 /nfs/dbraw/zinc/20/93/12/135209312.db2.gz ZQCMGPSIZBYBCH-STQMWFEESA-N 2 1 234.318 1.867 20 0 BDADMP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261567121 135209314 /nfs/dbraw/zinc/20/93/14/135209314.db2.gz ZQCMGPSIZBYBCH-STQMWFEESA-N 2 1 234.318 1.867 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CC1CCOCC1)C1CC1 ZINC000261575486 135216908 /nfs/dbraw/zinc/21/69/08/135216908.db2.gz JUNVTQLLBDBYKL-LBPRGKRZSA-N 2 1 212.337 1.130 20 0 BDADMP CC(C)[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000261582488 135223385 /nfs/dbraw/zinc/22/33/85/135223385.db2.gz OJLAMPWZEBMRHP-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000261585501 135226751 /nfs/dbraw/zinc/22/67/51/135226751.db2.gz QMOCIELQQQDHRM-MVWJERBFSA-N 2 1 237.372 1.621 20 0 BDADMP Cc1cccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[nH+]1 ZINC000261587278 135228501 /nfs/dbraw/zinc/22/85/01/135228501.db2.gz RQFQDYVGXWAGFZ-SRVKXCTJSA-N 2 1 217.316 1.564 20 0 BDADMP CCCO[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])CC1 ZINC000261594270 135234394 /nfs/dbraw/zinc/23/43/94/135234394.db2.gz XKQFBDBXQAMNDX-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CCCO[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])CC1 ZINC000261594270 135234395 /nfs/dbraw/zinc/23/43/95/135234395.db2.gz XKQFBDBXQAMNDX-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CCCO[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])CC1 ZINC000261594269 135234372 /nfs/dbraw/zinc/23/43/72/135234372.db2.gz XKQFBDBXQAMNDX-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP CCCO[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])CC1 ZINC000261594269 135234374 /nfs/dbraw/zinc/23/43/74/135234374.db2.gz XKQFBDBXQAMNDX-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP Nc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000261594942 135235171 /nfs/dbraw/zinc/23/51/71/135235171.db2.gz XVOKFPUCSQOALR-LBPRGKRZSA-N 2 1 205.305 1.192 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000261594942 135235172 /nfs/dbraw/zinc/23/51/72/135235172.db2.gz XVOKFPUCSQOALR-LBPRGKRZSA-N 2 1 205.305 1.192 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261598479 135236642 /nfs/dbraw/zinc/23/66/42/135236642.db2.gz ZOKMKFOLEPWWHH-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261598479 135236644 /nfs/dbraw/zinc/23/66/44/135236644.db2.gz ZOKMKFOLEPWWHH-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000261547408 135239995 /nfs/dbraw/zinc/23/99/95/135239995.db2.gz HYOJGBQEUHKWBE-NXEZZACHSA-N 2 1 236.315 1.283 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000261547811 135241179 /nfs/dbraw/zinc/24/11/79/135241179.db2.gz IOYNKAGDZPKHKC-OLZOCXBDSA-N 3 1 236.363 1.299 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C[S@@](C)=O)CC1 ZINC000164406934 135243549 /nfs/dbraw/zinc/24/35/49/135243549.db2.gz OJZLXLJGIQLWAP-BZNIZROVSA-N 2 1 246.420 1.216 20 0 BDADMP C[C@@H]1CSCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084386030 135244682 /nfs/dbraw/zinc/24/46/82/135244682.db2.gz JJIOIRDRJFWAGN-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261710727 135247263 /nfs/dbraw/zinc/24/72/63/135247263.db2.gz PMMUIMISVRYBDY-DGCLKSJQSA-N 2 1 233.359 1.828 20 0 BDADMP C(C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)[C@@H]1CCOC1 ZINC000261807641 135254705 /nfs/dbraw/zinc/25/47/05/135254705.db2.gz HMTVQXJVRAVWOJ-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP Cc1cc([C@H]2CCCN(CC(C)(C)[NH3+])C2)[nH]n1 ZINC000261818402 135255163 /nfs/dbraw/zinc/25/51/63/135255163.db2.gz QJPHOZQEERLECC-NSHDSACASA-N 2 1 236.363 1.635 20 0 BDADMP COC(=O)[C@]1(C)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261835703 135256197 /nfs/dbraw/zinc/25/61/97/135256197.db2.gz JJSIECQNWOHUCO-ZDUSSCGKSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261831535 135256418 /nfs/dbraw/zinc/25/64/18/135256418.db2.gz JCDBMTOAFZEQDD-AAVRWANBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261846898 135256922 /nfs/dbraw/zinc/25/69/22/135256922.db2.gz AXNLTOGLWZFEQV-RGDJUOJXSA-N 2 1 238.375 1.389 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866387 135257820 /nfs/dbraw/zinc/25/78/20/135257820.db2.gz NZXYAMVBEWTCDS-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@]1(C[N@@H+](C[C@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871918 135258753 /nfs/dbraw/zinc/25/87/53/135258753.db2.gz OZWXSKINKUUBCX-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H](CNC1=[NH+]CCCN1)[N@H+]1CCCC[C@H]1C ZINC000261872601 135259188 /nfs/dbraw/zinc/25/91/88/135259188.db2.gz PDCCTNXEGVWDJD-VXGBXAGGSA-N 2 1 238.379 1.188 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261879620 135259398 /nfs/dbraw/zinc/25/93/98/135259398.db2.gz QREZMKGUZROSEW-AAEUAGOBSA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261899482 135260905 /nfs/dbraw/zinc/26/09/05/135260905.db2.gz HNZDLIOWVMKOJW-XQQFMLRXSA-N 2 1 226.364 1.389 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261920572 135263310 /nfs/dbraw/zinc/26/33/10/135263310.db2.gz KLEBOLFXEWFRJK-NSHDSACASA-N 2 1 242.363 1.246 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCOCC2(CCC2)C1 ZINC000261923021 135263667 /nfs/dbraw/zinc/26/36/67/135263667.db2.gz KSTGIVQOWBEKKU-CYBMUJFWSA-N 2 1 238.375 1.489 20 0 BDADMP C1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261939919 135264570 /nfs/dbraw/zinc/26/45/70/135264570.db2.gz MRKXQUGVPKARLI-JHJVBQTASA-N 2 1 224.348 1.286 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261956370 135266463 /nfs/dbraw/zinc/26/64/63/135266463.db2.gz OSVPZATYNBMPKC-SRVKXCTJSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CC1 ZINC000261967439 135266835 /nfs/dbraw/zinc/26/68/35/135266835.db2.gz QFROLDAYPVICDJ-ASEORRQLSA-N 2 1 238.375 1.532 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000261966903 135267172 /nfs/dbraw/zinc/26/71/72/135267172.db2.gz PXXUKNXXQIBCPR-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000261966903 135267173 /nfs/dbraw/zinc/26/71/73/135267173.db2.gz PXXUKNXXQIBCPR-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000261966901 135267417 /nfs/dbraw/zinc/26/74/17/135267417.db2.gz PXXUKNXXQIBCPR-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000261966901 135267419 /nfs/dbraw/zinc/26/74/19/135267419.db2.gz PXXUKNXXQIBCPR-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP Cn1c2ccccc2[nH+]c1NCC[C@H]1CC[NH2+]C1 ZINC000079048499 135267848 /nfs/dbraw/zinc/26/78/48/135267848.db2.gz NLXOPSQEFLIACM-LLVKDONJSA-N 2 1 244.342 1.985 20 0 BDADMP C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261975197 135269125 /nfs/dbraw/zinc/26/91/25/135269125.db2.gz QSIJKTDHNUASNU-NWDGAFQWSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000262144500 135281256 /nfs/dbraw/zinc/28/12/56/135281256.db2.gz ZKHSEAZLCJCXFU-XUXIUFHCSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@]1(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000262144500 135281258 /nfs/dbraw/zinc/28/12/58/135281258.db2.gz ZKHSEAZLCJCXFU-XUXIUFHCSA-N 2 1 237.391 1.045 20 0 BDADMP CCC1CC([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000342571861 135291422 /nfs/dbraw/zinc/29/14/22/135291422.db2.gz DURCHTGCSILAOD-UHFFFAOYSA-N 2 1 240.391 1.611 20 0 BDADMP COCC[N@@H+](Cc1cccc2nccn21)C1CC1 ZINC000342676873 135303581 /nfs/dbraw/zinc/30/35/81/135303581.db2.gz DBGKWWGTFUZQSX-UHFFFAOYSA-N 2 1 245.326 1.945 20 0 BDADMP Cc1cc(C[N@@H+](C)CCC[NH3+])ccc1F ZINC000084476774 135343152 /nfs/dbraw/zinc/34/31/52/135343152.db2.gz YAJRNVCFDAKQMD-UHFFFAOYSA-N 2 1 210.296 1.915 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000343036219 135351522 /nfs/dbraw/zinc/35/15/22/135351522.db2.gz ZMVDUVBZRCFEOL-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000343036219 135351523 /nfs/dbraw/zinc/35/15/23/135351523.db2.gz ZMVDUVBZRCFEOL-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000343036219 135351524 /nfs/dbraw/zinc/35/15/24/135351524.db2.gz ZMVDUVBZRCFEOL-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346666645 135946470 /nfs/dbraw/zinc/94/64/70/135946470.db2.gz YSMHLUUPBFSNSO-LBPRGKRZSA-N 2 1 224.352 1.523 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346666645 135946471 /nfs/dbraw/zinc/94/64/71/135946471.db2.gz YSMHLUUPBFSNSO-LBPRGKRZSA-N 2 1 224.352 1.523 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000335348199 136067301 /nfs/dbraw/zinc/06/73/01/136067301.db2.gz DIEYTKSVLMTSPO-IKWCTNDRSA-N 2 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](C2CCC([NH3+])CC2)C[C@@]1(C)CN ZINC000335348199 136067302 /nfs/dbraw/zinc/06/73/02/136067302.db2.gz DIEYTKSVLMTSPO-IKWCTNDRSA-N 2 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH3+])CC2)C[C@@]1(C)CN ZINC000335348199 136067303 /nfs/dbraw/zinc/06/73/03/136067303.db2.gz DIEYTKSVLMTSPO-IKWCTNDRSA-N 2 1 225.380 1.173 20 0 BDADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1ccnn1C ZINC000348371789 136073798 /nfs/dbraw/zinc/07/37/98/136073798.db2.gz XNHARHLWBPKXNG-GFCCVEGCSA-N 2 1 236.363 1.336 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000348332803 136075465 /nfs/dbraw/zinc/07/54/65/136075465.db2.gz XPFSWJDZIAQQJI-WCQYABFASA-N 2 1 244.354 1.577 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH3+])CCC2 ZINC000335566573 136107787 /nfs/dbraw/zinc/10/77/87/136107787.db2.gz USYLSZJRMZMUQM-CYBMUJFWSA-N 2 1 204.317 1.921 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCOC3)C2)C1 ZINC000335570384 136109186 /nfs/dbraw/zinc/10/91/86/136109186.db2.gz NBDDVQNAZHIKSU-OLZOCXBDSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000335570384 136109187 /nfs/dbraw/zinc/10/91/87/136109187.db2.gz NBDDVQNAZHIKSU-OLZOCXBDSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC000335570384 136109188 /nfs/dbraw/zinc/10/91/88/136109188.db2.gz NBDDVQNAZHIKSU-OLZOCXBDSA-N 2 1 224.348 1.051 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000156327006 397758324 /nfs/dbraw/zinc/75/83/24/397758324.db2.gz QKULVUDYRQDTFB-LPWJVIDDSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000156327006 397758327 /nfs/dbraw/zinc/75/83/27/397758327.db2.gz QKULVUDYRQDTFB-LPWJVIDDSA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)C ZINC000309100237 397850394 /nfs/dbraw/zinc/85/03/94/397850394.db2.gz GKLRPXWGZRMRKM-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000309100237 397850398 /nfs/dbraw/zinc/85/03/98/397850398.db2.gz GKLRPXWGZRMRKM-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336743829 397867342 /nfs/dbraw/zinc/86/73/42/397867342.db2.gz YNLOJEBZVCKMAO-FIQHERPVSA-N 2 1 228.405 1.953 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336743829 397867347 /nfs/dbraw/zinc/86/73/47/397867347.db2.gz YNLOJEBZVCKMAO-FIQHERPVSA-N 2 1 228.405 1.953 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC000082594408 397965544 /nfs/dbraw/zinc/96/55/44/397965544.db2.gz FYGDKENNMBXWDC-GFCCVEGCSA-N 2 1 222.336 1.086 20 0 BDADMP CCC[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)OC ZINC000382393275 397945917 /nfs/dbraw/zinc/94/59/17/397945917.db2.gz MZPBAADHKMRPHE-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000414689081 398018910 /nfs/dbraw/zinc/01/89/10/398018910.db2.gz FOCJDYAKEQMXSO-ZDUSSCGKSA-N 2 1 219.332 1.522 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414705281 398021695 /nfs/dbraw/zinc/02/16/95/398021695.db2.gz LIBPHHYBFXBYBA-UONOGXRCSA-N 2 1 241.423 1.633 20 0 BDADMP COCC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000383765138 398036689 /nfs/dbraw/zinc/03/66/89/398036689.db2.gz FOJDUCFVYMKXHC-ZDUSSCGKSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781803 398037599 /nfs/dbraw/zinc/03/75/99/398037599.db2.gz DDCLLQBOIBXZNG-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781803 398037602 /nfs/dbraw/zinc/03/76/02/398037602.db2.gz DDCLLQBOIBXZNG-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H](C)[NH3+] ZINC000414818571 398043328 /nfs/dbraw/zinc/04/33/28/398043328.db2.gz FLQRDZUJVLWKKT-YNEHKIRRSA-N 3 1 227.396 1.624 20 0 BDADMP C[C@@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000389323125 398074016 /nfs/dbraw/zinc/07/40/16/398074016.db2.gz CYCNEVRSLBAATJ-WDEREUQCSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000404414163 398085615 /nfs/dbraw/zinc/08/56/15/398085615.db2.gz BNFIBCNETNEZPW-LLVKDONJSA-N 2 1 239.388 1.963 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000404414163 398085616 /nfs/dbraw/zinc/08/56/16/398085616.db2.gz BNFIBCNETNEZPW-LLVKDONJSA-N 2 1 239.388 1.963 20 0 BDADMP COCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000384408665 398088368 /nfs/dbraw/zinc/08/83/68/398088368.db2.gz IZAMDMGGPMYUDT-HNNXBMFYSA-N 2 1 248.370 1.745 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245907607 398119555 /nfs/dbraw/zinc/11/95/55/398119555.db2.gz BKWOOHWOWJEPAX-STQMWFEESA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000397318431 398119647 /nfs/dbraw/zinc/11/96/47/398119647.db2.gz ADHFCUDVSYANCL-NTZNESFSSA-N 2 1 236.363 1.225 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000414979626 398134146 /nfs/dbraw/zinc/13/41/46/398134146.db2.gz UUZGXIFDTKDPAD-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP COCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000336676787 174275923 /nfs/dbraw/zinc/27/59/23/174275923.db2.gz ZOBHENNHSGSBSE-UHFFFAOYSA-N 2 1 200.326 1.051 20 0 BDADMP COCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000336676787 174275924 /nfs/dbraw/zinc/27/59/24/174275924.db2.gz ZOBHENNHSGSBSE-UHFFFAOYSA-N 2 1 200.326 1.051 20 0 BDADMP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CCC[NH3+] ZINC000020419993 487574556 /nfs/dbraw/zinc/57/45/56/487574556.db2.gz FPRILYNOONICHO-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CCC[NH3+] ZINC000020419993 487574558 /nfs/dbraw/zinc/57/45/58/487574558.db2.gz FPRILYNOONICHO-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357087776 167216619 /nfs/dbraw/zinc/21/66/19/167216619.db2.gz WZKDLTYEHXYFCV-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336732796 167257610 /nfs/dbraw/zinc/25/76/10/167257610.db2.gz GEFNQHVLEVXUPE-JHJVBQTASA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336732796 167257612 /nfs/dbraw/zinc/25/76/12/167257612.db2.gz GEFNQHVLEVXUPE-JHJVBQTASA-N 2 1 228.380 1.872 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070356914 487589954 /nfs/dbraw/zinc/58/99/54/487589954.db2.gz RQPXJFHZZYVFAI-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+]C1(CO)CC[NH+](C2CCC2)CC1 ZINC000568176109 322920093 /nfs/dbraw/zinc/92/00/93/322920093.db2.gz PZWWQXJPJYPKGC-UHFFFAOYSA-N 2 1 226.364 1.364 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000662245204 409538155 /nfs/dbraw/zinc/53/81/55/409538155.db2.gz IUFBYQCEIWSFQB-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@]12COC[C@@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000662310196 409632777 /nfs/dbraw/zinc/63/27/77/409632777.db2.gz HPYROSCTNAMCAI-UONOGXRCSA-N 2 1 238.375 1.344 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662316603 409636744 /nfs/dbraw/zinc/63/67/44/409636744.db2.gz JUUQDVSHSBEGNP-CYBMUJFWSA-N 2 1 220.316 1.489 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662270689 409575326 /nfs/dbraw/zinc/57/53/26/409575326.db2.gz CAUWONBMRWMYCK-MNOVXSKESA-N 2 1 248.317 1.471 20 0 BDADMP Cc1nocc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000662271940 409576693 /nfs/dbraw/zinc/57/66/93/409576693.db2.gz CCJWTKVBZFWMCI-GFCCVEGCSA-N 2 1 223.320 1.686 20 0 BDADMP Cc1nocc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000662271940 409576703 /nfs/dbraw/zinc/57/67/03/409576703.db2.gz CCJWTKVBZFWMCI-GFCCVEGCSA-N 2 1 223.320 1.686 20 0 BDADMP C[N@@H+](CC[C@H]1CCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000662276526 409588804 /nfs/dbraw/zinc/58/88/04/409588804.db2.gz JTKPAWSVUGXLLS-KGLIPLIRSA-N 2 1 248.370 1.358 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCC[NH2+]1 ZINC000422745121 409716103 /nfs/dbraw/zinc/71/61/03/409716103.db2.gz LQSVVKRXDAIFAJ-LBELIVKGSA-N 2 1 224.348 1.427 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000227203654 487613515 /nfs/dbraw/zinc/61/35/15/487613515.db2.gz QWRSHKNHSUROPM-DCAQKATOSA-N 2 1 220.320 1.207 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000227203654 487613521 /nfs/dbraw/zinc/61/35/21/487613521.db2.gz QWRSHKNHSUROPM-DCAQKATOSA-N 2 1 220.320 1.207 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)C1 ZINC000308980721 410191721 /nfs/dbraw/zinc/19/17/21/410191721.db2.gz DUIQPRKADBWTPC-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)C1 ZINC000308980721 410191725 /nfs/dbraw/zinc/19/17/25/410191725.db2.gz DUIQPRKADBWTPC-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000308980721 410191728 /nfs/dbraw/zinc/19/17/28/410191728.db2.gz DUIQPRKADBWTPC-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000308980721 410191731 /nfs/dbraw/zinc/19/17/31/410191731.db2.gz DUIQPRKADBWTPC-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000309037740 410205158 /nfs/dbraw/zinc/20/51/58/410205158.db2.gz HISYZUIGTQTHDT-VXGBXAGGSA-N 2 1 222.357 1.708 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709776 410339345 /nfs/dbraw/zinc/33/93/45/410339345.db2.gz PYNIRNBBBGPSTE-VOAKCMCISA-N 2 1 208.349 1.703 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC2CC2)C1 ZINC000650723188 410359918 /nfs/dbraw/zinc/35/99/18/410359918.db2.gz IQYNYWOSIZAZIM-MGPQQGTHSA-N 2 1 238.375 1.757 20 0 BDADMP FC1(F)C[C@]12CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000650725326 410362850 /nfs/dbraw/zinc/36/28/50/410362850.db2.gz YJTIKALRTMHOKO-QWRGUYRKSA-N 2 1 230.302 1.717 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H](C)C1C[NH2+]C1 ZINC000650741187 410371853 /nfs/dbraw/zinc/37/18/53/410371853.db2.gz ZSYFDUBHDBBZON-GFCCVEGCSA-N 2 1 227.396 1.162 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650755781 410399851 /nfs/dbraw/zinc/39/98/51/410399851.db2.gz MQRQMERNCXKGEY-NXEZZACHSA-N 2 1 239.338 1.500 20 0 BDADMP C[C@H](NCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000650761640 410409248 /nfs/dbraw/zinc/40/92/48/410409248.db2.gz GDXCIGJOLOBSSH-AAEUAGOBSA-N 2 1 225.380 1.106 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1(C)CC1 ZINC000309282705 410713503 /nfs/dbraw/zinc/71/35/03/410713503.db2.gz UEUZFLJYBRSRHB-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1(C)CC1 ZINC000309282705 410713506 /nfs/dbraw/zinc/71/35/06/410713506.db2.gz UEUZFLJYBRSRHB-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000309282705 410713509 /nfs/dbraw/zinc/71/35/09/410713509.db2.gz UEUZFLJYBRSRHB-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000309282705 410713512 /nfs/dbraw/zinc/71/35/12/410713512.db2.gz UEUZFLJYBRSRHB-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000665273838 410743766 /nfs/dbraw/zinc/74/37/66/410743766.db2.gz FLIVTRNSRDDYQT-SRVKXCTJSA-N 2 1 213.369 1.186 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000665273838 410743774 /nfs/dbraw/zinc/74/37/74/410743774.db2.gz FLIVTRNSRDDYQT-SRVKXCTJSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000393735461 410757618 /nfs/dbraw/zinc/75/76/18/410757618.db2.gz BFOYMYFJJKCXTQ-WDEREUQCSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000393837407 410763623 /nfs/dbraw/zinc/76/36/23/410763623.db2.gz RGNLSSSEBVJGID-MGPQQGTHSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000201476166 487618825 /nfs/dbraw/zinc/61/88/25/487618825.db2.gz WFIUGTBWOHQMIH-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCS[C@H](C)C1 ZINC000309302479 410793500 /nfs/dbraw/zinc/79/35/00/410793500.db2.gz YVPQKEYJAHRNHJ-NEPJUHHUSA-N 2 1 246.420 1.125 20 0 BDADMP CCOCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308950415 410828222 /nfs/dbraw/zinc/82/82/22/410828222.db2.gz XNBXLNSVWQYNJA-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccncc1 ZINC000019958506 411074216 /nfs/dbraw/zinc/07/42/16/411074216.db2.gz SQYZKPKJSMUPBX-NSHDSACASA-N 2 1 207.321 1.684 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000301019654 411129603 /nfs/dbraw/zinc/12/96/03/411129603.db2.gz NHIMHXJAXVEVAK-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP c1c2cnccc2oc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000651651806 411133012 /nfs/dbraw/zinc/13/30/12/411133012.db2.gz LGZPQCRAIKPHBV-TXEJJXNPSA-N 2 1 243.310 1.479 20 0 BDADMP c1c2cnccc2oc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000651651806 411133013 /nfs/dbraw/zinc/13/30/13/411133013.db2.gz LGZPQCRAIKPHBV-TXEJJXNPSA-N 2 1 243.310 1.479 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401005390 411169710 /nfs/dbraw/zinc/16/97/10/411169710.db2.gz BMNFXPDMDCKPOW-RBSFLKMASA-N 3 1 249.402 1.226 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657938986 411174729 /nfs/dbraw/zinc/17/47/29/411174729.db2.gz SJXZGIJYAJNQBC-CYBMUJFWSA-N 2 1 246.358 1.570 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000656152503 411187368 /nfs/dbraw/zinc/18/73/68/411187368.db2.gz KSDCTAQOSKQVPW-STQMWFEESA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+](C)C[C@H](O)CN1CC(C)(C)[C@@H]1C(C)C ZINC000656152503 411187370 /nfs/dbraw/zinc/18/73/70/411187370.db2.gz KSDCTAQOSKQVPW-STQMWFEESA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1CC(C)(C)[C@@H]1C(C)C ZINC000656152503 411187371 /nfs/dbraw/zinc/18/73/71/411187371.db2.gz KSDCTAQOSKQVPW-STQMWFEESA-N 2 1 242.407 1.665 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000656193034 411198654 /nfs/dbraw/zinc/19/86/54/411198654.db2.gz JEYROLRJAAZTRY-UPJWGTAASA-N 3 1 237.391 1.521 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000656193303 411201023 /nfs/dbraw/zinc/20/10/23/411201023.db2.gz FKXNKXBVLAPIMM-OUCADQQQSA-N 2 1 233.359 1.600 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656199981 411203906 /nfs/dbraw/zinc/20/39/06/411203906.db2.gz DGXQJFGLJWBXIW-KBPBESRZSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656199981 411203907 /nfs/dbraw/zinc/20/39/07/411203907.db2.gz DGXQJFGLJWBXIW-KBPBESRZSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656199981 411203908 /nfs/dbraw/zinc/20/39/08/411203908.db2.gz DGXQJFGLJWBXIW-KBPBESRZSA-N 3 1 241.423 1.824 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656200385 411204429 /nfs/dbraw/zinc/20/44/29/411204429.db2.gz LURBMTFQOXCYCW-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656200966 411205020 /nfs/dbraw/zinc/20/50/20/411205020.db2.gz GSXUHWCEVMZHFF-XDQVBPFNSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000656200966 411205025 /nfs/dbraw/zinc/20/50/25/411205025.db2.gz GSXUHWCEVMZHFF-XDQVBPFNSA-N 2 1 239.407 1.719 20 0 BDADMP CC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345544 411208982 /nfs/dbraw/zinc/20/89/82/411208982.db2.gz DVFOUTUUEUAMCP-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652356138 411214898 /nfs/dbraw/zinc/21/48/98/411214898.db2.gz TZPZQYKFJQJFMF-NEPJUHHUSA-N 3 1 213.369 1.045 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652356138 411214900 /nfs/dbraw/zinc/21/49/00/411214900.db2.gz TZPZQYKFJQJFMF-NEPJUHHUSA-N 3 1 213.369 1.045 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOCC2CC2)[C@@H]1CC[NH3+] ZINC000652355104 411215249 /nfs/dbraw/zinc/21/52/49/411215249.db2.gz PKAQYEDWQSTPDZ-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652355681 411215378 /nfs/dbraw/zinc/21/53/78/411215378.db2.gz DHYHTRZUMXGEFS-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655684622 411226008 /nfs/dbraw/zinc/22/60/08/411226008.db2.gz SNKWATPVTAWBDU-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](CCn2cc(C)cn2)CC[C@@H]1[NH3+] ZINC000310311741 411232942 /nfs/dbraw/zinc/23/29/42/411232942.db2.gz UYGJWOBALFCNKT-OLZOCXBDSA-N 2 1 236.363 1.251 20 0 BDADMP CC[C@H]1C[N@@H+](CCn2cc(C)cn2)CC[C@@H]1[NH3+] ZINC000310311743 411233000 /nfs/dbraw/zinc/23/30/00/411233000.db2.gz UYGJWOBALFCNKT-STQMWFEESA-N 2 1 236.363 1.251 20 0 BDADMP CC[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952671 411269791 /nfs/dbraw/zinc/26/97/91/411269791.db2.gz PUGHFNVCKJCEAK-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)C2(CO)CC2)CC1 ZINC000658161844 411275343 /nfs/dbraw/zinc/27/53/43/411275343.db2.gz VIBDXIXIFCPREO-LLVKDONJSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(O)c1)C2 ZINC000310807332 411284411 /nfs/dbraw/zinc/28/44/11/411284411.db2.gz YSYITXDAWZFRPZ-ZFWWWQNUSA-N 2 1 246.354 1.953 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722878 411290079 /nfs/dbraw/zinc/29/00/79/411290079.db2.gz NDMWNVZVKISNIR-UONOGXRCSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722878 411290083 /nfs/dbraw/zinc/29/00/83/411290083.db2.gz NDMWNVZVKISNIR-UONOGXRCSA-N 2 1 249.358 1.428 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3(F)CC3)C[C@H]21 ZINC000309420157 411306924 /nfs/dbraw/zinc/30/69/24/411306924.db2.gz XUMCPRMISLXCHB-GMTAPVOTSA-N 2 1 212.312 1.548 20 0 BDADMP CC(C)[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656700574 411325350 /nfs/dbraw/zinc/32/53/50/411325350.db2.gz XGDSRYBDASGVMP-QWHCGFSZSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656700574 411325353 /nfs/dbraw/zinc/32/53/53/411325353.db2.gz XGDSRYBDASGVMP-QWHCGFSZSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000656700574 411325357 /nfs/dbraw/zinc/32/53/57/411325357.db2.gz XGDSRYBDASGVMP-QWHCGFSZSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000656700574 411325358 /nfs/dbraw/zinc/32/53/58/411325358.db2.gz XGDSRYBDASGVMP-QWHCGFSZSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)CC1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000662066374 411355862 /nfs/dbraw/zinc/35/58/62/411355862.db2.gz KIRKMGMVBANRJX-CYBMUJFWSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)CC1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000662066374 411355866 /nfs/dbraw/zinc/35/58/66/411355866.db2.gz KIRKMGMVBANRJX-CYBMUJFWSA-N 2 1 240.391 1.610 20 0 BDADMP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n[nH]1 ZINC000656786629 411365908 /nfs/dbraw/zinc/36/59/08/411365908.db2.gz VEZGTUFYZNDTEH-CYBMUJFWSA-N 2 1 248.374 1.621 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2=CCCOC2)CC[NH2+]1 ZINC000656791227 411371148 /nfs/dbraw/zinc/37/11/48/411371148.db2.gz XBCCRABWGINIBG-CHWSQXEVSA-N 2 1 238.375 1.653 20 0 BDADMP CC[C@H](C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000656706068 411335077 /nfs/dbraw/zinc/33/50/77/411335077.db2.gz XYSMNSAOMOMPLE-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H](C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000656706068 411335081 /nfs/dbraw/zinc/33/50/81/411335081.db2.gz XYSMNSAOMOMPLE-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP CC1(C)[C@H](O)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000361402227 168007177 /nfs/dbraw/zinc/00/71/77/168007177.db2.gz HGDHDCQOHASCDD-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccnc1 ZINC000372313947 168070733 /nfs/dbraw/zinc/07/07/33/168070733.db2.gz VTMPORWRYVOPEV-FUNVUKJBSA-N 2 1 235.331 1.261 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000216280853 411389490 /nfs/dbraw/zinc/38/94/90/411389490.db2.gz NZGKLXVHEHVFJR-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000309433520 411383083 /nfs/dbraw/zinc/38/30/83/411383083.db2.gz MTDTULINGGQIEY-ZWNOBZJWSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000309433520 411383088 /nfs/dbraw/zinc/38/30/88/411383088.db2.gz MTDTULINGGQIEY-ZWNOBZJWSA-N 2 1 226.364 1.220 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404370281 411392674 /nfs/dbraw/zinc/39/26/74/411392674.db2.gz IRFZZBCRKQBKQG-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccnn2C)[C@@H]1CC[NH3+] ZINC000404450932 411397173 /nfs/dbraw/zinc/39/71/73/411397173.db2.gz YPVHEVIDUCALQV-DGCLKSJQSA-N 2 1 236.363 1.369 20 0 BDADMP CCC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653568605 411424592 /nfs/dbraw/zinc/42/45/92/411424592.db2.gz DVFSTWWPYWAKBO-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000653568605 411424594 /nfs/dbraw/zinc/42/45/94/411424594.db2.gz DVFSTWWPYWAKBO-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000653568605 411424597 /nfs/dbraw/zinc/42/45/97/411424597.db2.gz DVFSTWWPYWAKBO-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2nc(C)ccc2O)CC[C@@H]1[NH3+] ZINC000122238965 411425601 /nfs/dbraw/zinc/42/56/01/411425601.db2.gz HGQFXWREEWDAME-RYUDHWBXSA-N 2 1 249.358 1.655 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C(C)C ZINC000653596810 411430624 /nfs/dbraw/zinc/43/06/24/411430624.db2.gz NWYXPKGMVCSKJJ-LBPRGKRZSA-N 2 1 216.369 1.418 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C(C)C ZINC000653596810 411430626 /nfs/dbraw/zinc/43/06/26/411430626.db2.gz NWYXPKGMVCSKJJ-LBPRGKRZSA-N 2 1 216.369 1.418 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@H]1C[NH3+] ZINC000405846839 411443352 /nfs/dbraw/zinc/44/33/52/411443352.db2.gz HXUPCDFBPDAEFE-IJLUTSLNSA-N 2 1 244.404 1.035 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414851174 411453766 /nfs/dbraw/zinc/45/37/66/411453766.db2.gz OURGNAWYFNNXMW-IGQOVBAYSA-N 3 1 239.407 1.352 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657337180 411472231 /nfs/dbraw/zinc/47/22/31/411472231.db2.gz LKPCZMHTFPYVSJ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)CO1 ZINC000657338353 411473381 /nfs/dbraw/zinc/47/33/81/411473381.db2.gz VVVDDXIUNFIBNT-NWDGAFQWSA-N 2 1 223.320 1.349 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000659850903 411477375 /nfs/dbraw/zinc/47/73/75/411477375.db2.gz WONXYAVVUSYQHF-HZSPNIEDSA-N 2 1 238.375 1.343 20 0 BDADMP c1[nH+]c2c(n1C[C@@H]1CC[NH2+]C1)CCCC2 ZINC000127328565 411484450 /nfs/dbraw/zinc/48/44/50/411484450.db2.gz GKQGPTPUACVEAA-SNVBAGLBSA-N 2 1 205.305 1.371 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC(C)C)C1 ZINC000307846839 411487179 /nfs/dbraw/zinc/48/71/79/411487179.db2.gz ONTRJSYBGIZXQW-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000307846839 411487182 /nfs/dbraw/zinc/48/71/82/411487182.db2.gz ONTRJSYBGIZXQW-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000307846839 411487186 /nfs/dbraw/zinc/48/71/86/411487186.db2.gz ONTRJSYBGIZXQW-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660415161 411489017 /nfs/dbraw/zinc/48/90/17/411489017.db2.gz ALDRBSOLWOIQSS-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCOC1)C2 ZINC000309474480 411497865 /nfs/dbraw/zinc/49/78/65/411497865.db2.gz UZVPBOPDRGVRCP-AGIUHOORSA-N 2 1 224.348 1.084 20 0 BDADMP CC(C)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000128614291 411498556 /nfs/dbraw/zinc/49/85/56/411498556.db2.gz NFBARPZRUBDJLY-MNOVXSKESA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000128614291 411498559 /nfs/dbraw/zinc/49/85/59/411498559.db2.gz NFBARPZRUBDJLY-MNOVXSKESA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)CO1 ZINC000657450106 411511568 /nfs/dbraw/zinc/51/15/68/411511568.db2.gz IMUIVGLNWIYYSQ-RWMBFGLXSA-N 2 1 249.358 1.603 20 0 BDADMP C[NH+](C)C1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000655793042 411515981 /nfs/dbraw/zinc/51/59/81/411515981.db2.gz MWRRPUHGXOIQDX-RJZJGCCBSA-N 2 1 237.391 1.295 20 0 BDADMP Cc1c[nH]nc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824790 411526731 /nfs/dbraw/zinc/52/67/31/411526731.db2.gz PSVDWHCAGVVVKX-PHIMTYICSA-N 2 1 222.336 1.148 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000309958763 170007962 /nfs/dbraw/zinc/00/79/62/170007962.db2.gz JXVRDEBPHZWFLC-LBPRGKRZSA-N 2 1 228.380 1.590 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnccn2)[C@H](C)C1 ZINC000341887062 170011729 /nfs/dbraw/zinc/01/17/29/170011729.db2.gz KEFQGJDNPRKXLA-TZMCWYRMSA-N 2 1 248.374 1.339 20 0 BDADMP CC[N@H+]1CC[C@H](CNC2CC[NH+](C)CC2)C1 ZINC000037484178 170015235 /nfs/dbraw/zinc/01/52/35/170015235.db2.gz RJRLWDIKSXCHEW-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000037484178 170015236 /nfs/dbraw/zinc/01/52/36/170015236.db2.gz RJRLWDIKSXCHEW-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000037484178 170015237 /nfs/dbraw/zinc/01/52/37/170015237.db2.gz RJRLWDIKSXCHEW-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000360412254 170016968 /nfs/dbraw/zinc/01/69/68/170016968.db2.gz GAANYNLLNBBEQI-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H](C)CO)[C@@H](C)C1 ZINC000358363860 170020781 /nfs/dbraw/zinc/02/07/81/170020781.db2.gz FDORNTSKASLCFH-RDBSUJKOSA-N 2 1 242.407 1.715 20 0 BDADMP CC[NH2+]C1CCN(CCn2cc[nH+]c2C)CC1 ZINC000049329239 170108837 /nfs/dbraw/zinc/10/88/37/170108837.db2.gz LKROXSUNGYLLTJ-UHFFFAOYSA-N 2 1 236.363 1.265 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000657611364 411563242 /nfs/dbraw/zinc/56/32/42/411563242.db2.gz XSFSOQSQUJBZBX-HAQNSBGRSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CCCc1cncn1C ZINC000314000487 411571729 /nfs/dbraw/zinc/57/17/29/411571729.db2.gz MATYZWSBKYGLPD-LLVKDONJSA-N 2 1 225.336 1.055 20 0 BDADMP CC[C@H](CO)[N@H+](C)CCCc1c[nH+]cn1C ZINC000314000487 411571730 /nfs/dbraw/zinc/57/17/30/411571730.db2.gz MATYZWSBKYGLPD-LLVKDONJSA-N 2 1 225.336 1.055 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314000487 411571731 /nfs/dbraw/zinc/57/17/31/411571731.db2.gz MATYZWSBKYGLPD-LLVKDONJSA-N 2 1 225.336 1.055 20 0 BDADMP c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343660 411632525 /nfs/dbraw/zinc/63/25/25/411632525.db2.gz APTJYIYJOLRUIF-CYBMUJFWSA-N 2 1 248.374 1.621 20 0 BDADMP c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343660 411632531 /nfs/dbraw/zinc/63/25/31/411632531.db2.gz APTJYIYJOLRUIF-CYBMUJFWSA-N 2 1 248.374 1.621 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657790099 411596742 /nfs/dbraw/zinc/59/67/42/411596742.db2.gz NCXKADLYMLIZFJ-XQHKEYJVSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCOC1)C2 ZINC000660654866 411613566 /nfs/dbraw/zinc/61/35/66/411613566.db2.gz IQVSKNNCYPUUMY-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCOC1)C2 ZINC000660654866 411613567 /nfs/dbraw/zinc/61/35/67/411613567.db2.gz IQVSKNNCYPUUMY-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCOC1)C2 ZINC000660654866 411613569 /nfs/dbraw/zinc/61/35/69/411613569.db2.gz IQVSKNNCYPUUMY-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP COCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653551 411613688 /nfs/dbraw/zinc/61/36/88/411613688.db2.gz SOUINCKWJJIEBF-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP COCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660653551 411613689 /nfs/dbraw/zinc/61/36/89/411613689.db2.gz SOUINCKWJJIEBF-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP COCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660653551 411613690 /nfs/dbraw/zinc/61/36/90/411613690.db2.gz SOUINCKWJJIEBF-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCn1ccnc1)C2 ZINC000660656862 411613832 /nfs/dbraw/zinc/61/38/32/411613832.db2.gz AHBDQCLMFNJUNH-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[N@@H+]1CC[C@]2(C1)CCCN(CCn1ccnc1)C2 ZINC000660656862 411613838 /nfs/dbraw/zinc/61/38/38/411613838.db2.gz AHBDQCLMFNJUNH-AWEZNQCLSA-N 3 1 248.374 1.301 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCCN(CCn1ccnc1)C2 ZINC000660656862 411613839 /nfs/dbraw/zinc/61/38/39/411613839.db2.gz AHBDQCLMFNJUNH-AWEZNQCLSA-N 3 1 248.374 1.301 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCO)C2 ZINC000660658322 411614113 /nfs/dbraw/zinc/61/41/13/411614113.db2.gz DVMAVOFNIMIOMD-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCO)C2 ZINC000660658322 411614114 /nfs/dbraw/zinc/61/41/14/411614114.db2.gz DVMAVOFNIMIOMD-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCO)C2 ZINC000660658322 411614116 /nfs/dbraw/zinc/61/41/16/411614116.db2.gz DVMAVOFNIMIOMD-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662659 411616167 /nfs/dbraw/zinc/61/61/67/411616167.db2.gz KNHNZHFDAVSFAH-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662659 411616168 /nfs/dbraw/zinc/61/61/68/411616168.db2.gz KNHNZHFDAVSFAH-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662659 411616169 /nfs/dbraw/zinc/61/61/69/411616169.db2.gz KNHNZHFDAVSFAH-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP FCCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000663461084 411663554 /nfs/dbraw/zinc/66/35/54/411663554.db2.gz GATNZHPYKSZYSX-UHFFFAOYSA-N 2 1 230.327 1.189 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000663498250 411682407 /nfs/dbraw/zinc/68/24/07/411682407.db2.gz NXDMDXKDDZTBPX-NELGMTEASA-N 2 1 237.391 1.058 20 0 BDADMP C[N@@H+](CC1=CCSC1)C[C@@]1(C)CC[NH2+]C1 ZINC000663506650 411690882 /nfs/dbraw/zinc/69/08/82/411690882.db2.gz MQPMGCZKCVODRW-LBPRGKRZSA-N 2 1 226.389 1.591 20 0 BDADMP CCn1nccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000663512099 411694748 /nfs/dbraw/zinc/69/47/48/411694748.db2.gz FJEXBEMJONFQSQ-LLVKDONJSA-N 2 1 222.336 1.135 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000663514929 411697661 /nfs/dbraw/zinc/69/76/61/411697661.db2.gz WNHCAZNTEOOCFC-KPPDAEKUSA-N 2 1 200.326 1.142 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000661231417 411734297 /nfs/dbraw/zinc/73/42/97/411734297.db2.gz MMYQEDDOLROBRS-YPMHNXCESA-N 2 1 242.407 1.856 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661231417 411734302 /nfs/dbraw/zinc/73/43/02/411734302.db2.gz MMYQEDDOLROBRS-YPMHNXCESA-N 2 1 242.407 1.856 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661690566 411832775 /nfs/dbraw/zinc/83/27/75/411832775.db2.gz RQWQTWFMACCHSY-STQMWFEESA-N 2 1 246.370 1.371 20 0 BDADMP CC[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152700 412009725 /nfs/dbraw/zinc/00/97/25/412009725.db2.gz XVSRAHBGBLTJPG-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000664719743 412015042 /nfs/dbraw/zinc/01/50/42/412015042.db2.gz XIBFCXCAAVQYNY-GHMZBOCLSA-N 2 1 243.395 1.206 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219861855 411946317 /nfs/dbraw/zinc/94/63/17/411946317.db2.gz QVLZIAVJODMHJS-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000220043803 412029519 /nfs/dbraw/zinc/02/95/19/412029519.db2.gz NCHATSLYTYTWDX-GFCCVEGCSA-N 2 1 243.395 1.208 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)C1CCCC1 ZINC000662244928 412041389 /nfs/dbraw/zinc/04/13/89/412041389.db2.gz PQKDDNWQQSLRBX-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000662245338 412041484 /nfs/dbraw/zinc/04/14/84/412041484.db2.gz TYKIMEKIHOWPPB-VIFPVBQESA-N 2 1 209.293 1.018 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000662245338 412041487 /nfs/dbraw/zinc/04/14/87/412041487.db2.gz TYKIMEKIHOWPPB-VIFPVBQESA-N 2 1 209.293 1.018 20 0 BDADMP CO[C@@H](C[N@@H+](C)CCC[NH3+])C1CCCCC1 ZINC000662244670 412041823 /nfs/dbraw/zinc/04/18/23/412041823.db2.gz JLSLXQBZIGFICQ-ZDUSSCGKSA-N 2 1 228.380 1.862 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662246241 412043209 /nfs/dbraw/zinc/04/32/09/412043209.db2.gz RSURAQHYLQSMEO-YVECIDJPSA-N 2 1 208.349 1.716 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](OC)C1CCCC1 ZINC000662247398 412044906 /nfs/dbraw/zinc/04/49/06/412044906.db2.gz ZWBLCPQIODNCFR-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](OC)C1CCCC1 ZINC000662247398 412044907 /nfs/dbraw/zinc/04/49/07/412044907.db2.gz ZWBLCPQIODNCFR-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249402 412046392 /nfs/dbraw/zinc/04/63/92/412046392.db2.gz MDJWWBMLZNMSSF-VXGBXAGGSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255721 412051522 /nfs/dbraw/zinc/05/15/22/412051522.db2.gz QZDDKVJPNCGIFC-GFCCVEGCSA-N 2 1 248.370 1.535 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258858 412053047 /nfs/dbraw/zinc/05/30/47/412053047.db2.gz MWMPVPJOELXIFE-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@@H](C[NH2+]CC1([NH3+])CCC1)c1ccccc1 ZINC000662264415 412056047 /nfs/dbraw/zinc/05/60/47/412056047.db2.gz CWJBFIUFFYVQSD-ZDUSSCGKSA-N 2 1 234.343 1.845 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000062911631 171110195 /nfs/dbraw/zinc/11/01/95/171110195.db2.gz DHMPMHAHMOQXAH-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000062911631 171110197 /nfs/dbraw/zinc/11/01/97/171110197.db2.gz DHMPMHAHMOQXAH-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000346083260 171128366 /nfs/dbraw/zinc/12/83/66/171128366.db2.gz QSUKYNCTVXFONZ-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCO[C@H]1CC1(F)F ZINC000662277908 412069556 /nfs/dbraw/zinc/06/95/56/412069556.db2.gz TWUKGNZEIPJMCX-IUCAKERBSA-N 2 1 236.306 1.374 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1CCC1 ZINC000662277786 412069587 /nfs/dbraw/zinc/06/95/87/412069587.db2.gz RYFZZJPHNOOACB-NEPJUHHUSA-N 2 1 228.380 1.765 20 0 BDADMP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662279061 412071496 /nfs/dbraw/zinc/07/14/96/412071496.db2.gz FKGDUHNVEMCOHB-LBPRGKRZSA-N 2 1 224.348 1.382 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])OC ZINC000662285312 412076645 /nfs/dbraw/zinc/07/66/45/412076645.db2.gz JJFNYFSUVPYCRL-FRRDWIJNSA-N 2 1 244.379 1.097 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000662285510 412077521 /nfs/dbraw/zinc/07/75/21/412077521.db2.gz KRQJDIQJWJHVEI-MFKMUULPSA-N 2 1 237.347 1.932 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000126514980 171228592 /nfs/dbraw/zinc/22/85/92/171228592.db2.gz CXDNQKBAEVVXLY-VXGBXAGGSA-N 2 1 243.395 1.173 20 0 BDADMP Cc1nocc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000662282021 412073220 /nfs/dbraw/zinc/07/32/20/412073220.db2.gz AWPAPMDOVPLYSE-NSHDSACASA-N 2 1 249.358 1.947 20 0 BDADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000662297063 412084154 /nfs/dbraw/zinc/08/41/54/412084154.db2.gz ZDOFTMPEOSUSAQ-LBPRGKRZSA-N 2 1 249.358 1.522 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000300360112 171307822 /nfs/dbraw/zinc/30/78/22/171307822.db2.gz UBHNYMVBXDYTAB-YNEHKIRRSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000300360112 171307823 /nfs/dbraw/zinc/30/78/23/171307823.db2.gz UBHNYMVBXDYTAB-YNEHKIRRSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305115458 171388744 /nfs/dbraw/zinc/38/87/44/171388744.db2.gz HUTRNJTUUABQKL-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP OCC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662299429 412086760 /nfs/dbraw/zinc/08/67/60/412086760.db2.gz PNVFHRKASWUYNT-UONOGXRCSA-N 2 1 240.391 1.613 20 0 BDADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCF)CCO1 ZINC000662318900 412086909 /nfs/dbraw/zinc/08/69/09/412086909.db2.gz AQXJAZCJXJPUTN-LBPRGKRZSA-N 2 1 232.343 1.389 20 0 BDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCF)CCO1 ZINC000662318899 412086964 /nfs/dbraw/zinc/08/69/64/412086964.db2.gz AQXJAZCJXJPUTN-GFCCVEGCSA-N 2 1 232.343 1.389 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662302667 412088897 /nfs/dbraw/zinc/08/88/97/412088897.db2.gz NWKXGHGYKGUXDA-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662302665 412089292 /nfs/dbraw/zinc/08/92/92/412089292.db2.gz NWKXGHGYKGUXDA-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP c1cc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)no1 ZINC000662317496 412097824 /nfs/dbraw/zinc/09/78/24/412097824.db2.gz QEIQECBVAQOGOD-NSHDSACASA-N 2 1 235.331 1.464 20 0 BDADMP CCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321465 412101129 /nfs/dbraw/zinc/10/11/29/412101129.db2.gz ISESZOOGBPVFQG-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000665236553 412176912 /nfs/dbraw/zinc/17/69/12/412176912.db2.gz PBTGLNOITCSGRK-UPJWGTAASA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000665236553 412176915 /nfs/dbraw/zinc/17/69/15/412176915.db2.gz PBTGLNOITCSGRK-UPJWGTAASA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236631 412177155 /nfs/dbraw/zinc/17/71/55/412177155.db2.gz QXFRTRHUONGNBT-JHJVBQTASA-N 2 1 239.407 1.447 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000665236747 412177185 /nfs/dbraw/zinc/17/71/85/412177185.db2.gz SSXZJOXHKBCWBI-AGIUHOORSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000665236816 412177191 /nfs/dbraw/zinc/17/71/91/412177191.db2.gz VCMIFKSZCQVIIO-QJPTWQEYSA-N 2 1 225.380 1.329 20 0 BDADMP CC(C)CO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000665242623 412187152 /nfs/dbraw/zinc/18/71/52/412187152.db2.gz DQIBDXLGZXXUFI-XQQFMLRXSA-N 2 1 240.391 1.778 20 0 BDADMP CCC1(CC)[C@@H]([NH2+][C@H]2CC[NH2+]C2)C[C@@H]1OC ZINC000665242959 412187703 /nfs/dbraw/zinc/18/77/03/412187703.db2.gz PYVMAUMXSXSQDZ-SRVKXCTJSA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)CO[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000665242622 412187812 /nfs/dbraw/zinc/18/78/12/412187812.db2.gz DQIBDXLGZXXUFI-AVGNSLFASA-N 2 1 240.391 1.778 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273862 412215670 /nfs/dbraw/zinc/21/56/70/412215670.db2.gz FVMIYVUEDBIGAR-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)F ZINC000665261863 412203989 /nfs/dbraw/zinc/20/39/89/412203989.db2.gz NIAIRDXRIKXLNK-NXEZZACHSA-N 2 1 202.317 1.712 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)F ZINC000665261864 412204826 /nfs/dbraw/zinc/20/48/26/412204826.db2.gz NIAIRDXRIKXLNK-UWVGGRQHSA-N 2 1 202.317 1.712 20 0 BDADMP C[C@@H]([NH2+]CCc1ccoc1)[C@H]1CCC[NH2+]1 ZINC000665263809 412207146 /nfs/dbraw/zinc/20/71/46/412207146.db2.gz VDCVYVIIBOEEOE-ZYHUDNBSSA-N 2 1 208.305 1.552 20 0 BDADMP COCc1csc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000665263685 412208119 /nfs/dbraw/zinc/20/81/19/412208119.db2.gz RXIZEJJDDRZRQI-NWDGAFQWSA-N 2 1 240.372 1.864 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665267532 412210560 /nfs/dbraw/zinc/21/05/60/412210560.db2.gz YHCSJAFZUZNDNX-LPEHRKFASA-N 2 1 218.291 1.762 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665274304 412217887 /nfs/dbraw/zinc/21/78/87/412217887.db2.gz NEFRJFHHLQVUGP-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccncn1 ZINC000665281556 412226571 /nfs/dbraw/zinc/22/65/71/412226571.db2.gz GROCOJUETDEGDM-WDEREUQCSA-N 2 1 222.336 1.501 20 0 BDADMP C[C@@H]([NH2+]CCCc1ccco1)[C@H]1CCC[NH2+]1 ZINC000665283729 412229976 /nfs/dbraw/zinc/22/99/76/412229976.db2.gz SZBXSPSHMCZIQE-DGCLKSJQSA-N 2 1 222.332 1.942 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H](C)C[NH2+]C)C[C@@H]1OC ZINC000665296901 412244328 /nfs/dbraw/zinc/24/43/28/412244328.db2.gz ZKYBZUWEDYJRBC-TUAOUCFPSA-N 2 1 228.380 1.778 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000228544610 172167492 /nfs/dbraw/zinc/16/74/92/172167492.db2.gz CJBOWHNMVTVDFL-BFHYXJOUSA-N 2 1 248.374 1.462 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000126891858 173004986 /nfs/dbraw/zinc/00/49/86/173004986.db2.gz WGGVFEUMAWLRLT-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2)CC1 ZINC000076681109 173020558 /nfs/dbraw/zinc/02/05/58/173020558.db2.gz IGBKOGRCHLVLBU-CYBMUJFWSA-N 2 1 234.343 1.966 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCOCC1 ZINC000336553354 173028350 /nfs/dbraw/zinc/02/83/50/173028350.db2.gz XKQNQIDKSKGZCK-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCOCC1 ZINC000336553354 173028351 /nfs/dbraw/zinc/02/83/51/173028351.db2.gz XKQNQIDKSKGZCK-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCOCC1 ZINC000336553354 173028353 /nfs/dbraw/zinc/02/83/53/173028353.db2.gz XKQNQIDKSKGZCK-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCOCC1 ZINC000336553354 173028356 /nfs/dbraw/zinc/02/83/56/173028356.db2.gz XKQNQIDKSKGZCK-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](F)C1 ZINC000336262588 173028681 /nfs/dbraw/zinc/02/86/81/173028681.db2.gz DHVRVRPEYZXFBR-GHMZBOCLSA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000336543063 173029160 /nfs/dbraw/zinc/02/91/60/173029160.db2.gz FMLQYTZQVRCBPA-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000336543063 173029161 /nfs/dbraw/zinc/02/91/61/173029161.db2.gz FMLQYTZQVRCBPA-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(O)CC1 ZINC000336543063 173029158 /nfs/dbraw/zinc/02/91/58/173029158.db2.gz FMLQYTZQVRCBPA-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000336714270 173029333 /nfs/dbraw/zinc/02/93/33/173029333.db2.gz QNFIFKCQABDPAX-CRWXNKLISA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000336714270 173029336 /nfs/dbraw/zinc/02/93/36/173029336.db2.gz QNFIFKCQABDPAX-CRWXNKLISA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](CO)C(C)(C)C ZINC000305704662 173029362 /nfs/dbraw/zinc/02/93/62/173029362.db2.gz XQIIPCANZNQTKP-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](CO)C(C)(C)C ZINC000305704662 173029364 /nfs/dbraw/zinc/02/93/64/173029364.db2.gz XQIIPCANZNQTKP-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](CO)C(C)(C)C ZINC000305704662 173029367 /nfs/dbraw/zinc/02/93/67/173029367.db2.gz XQIIPCANZNQTKP-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)O)CC[C@H]21 ZINC000129155682 173036956 /nfs/dbraw/zinc/03/69/56/173036956.db2.gz MIVWTGCJAXXQQG-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(C)O)CC[C@H]21 ZINC000129155682 173036959 /nfs/dbraw/zinc/03/69/59/173036959.db2.gz MIVWTGCJAXXQQG-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(C)O)CC[C@H]21 ZINC000129155682 173036962 /nfs/dbraw/zinc/03/69/62/173036962.db2.gz MIVWTGCJAXXQQG-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC1(O)CCC1 ZINC000336669909 173039326 /nfs/dbraw/zinc/03/93/26/173039326.db2.gz ICZDWTGUOHEESJ-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC1(O)CCC1 ZINC000336669909 173039327 /nfs/dbraw/zinc/03/93/27/173039327.db2.gz ICZDWTGUOHEESJ-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC1(O)CCC1 ZINC000336669909 173039328 /nfs/dbraw/zinc/03/93/28/173039328.db2.gz ICZDWTGUOHEESJ-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CCO ZINC000336680736 173050980 /nfs/dbraw/zinc/05/09/80/173050980.db2.gz XQQZGXYBGQFKEC-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CCO ZINC000336680736 173050982 /nfs/dbraw/zinc/05/09/82/173050982.db2.gz XQQZGXYBGQFKEC-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CCO ZINC000336680736 173050984 /nfs/dbraw/zinc/05/09/84/173050984.db2.gz XQQZGXYBGQFKEC-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccn3)CC[C@@H]21 ZINC000158561550 173059466 /nfs/dbraw/zinc/05/94/66/173059466.db2.gz FJPFYDWDUZMQLZ-ZFWWWQNUSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccn3)CC[C@@H]21 ZINC000158561550 173059467 /nfs/dbraw/zinc/05/94/67/173059467.db2.gz FJPFYDWDUZMQLZ-ZFWWWQNUSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000158561550 173059468 /nfs/dbraw/zinc/05/94/68/173059468.db2.gz FJPFYDWDUZMQLZ-ZFWWWQNUSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000158561550 173059471 /nfs/dbraw/zinc/05/94/71/173059471.db2.gz FJPFYDWDUZMQLZ-ZFWWWQNUSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3(C)COC3)C2)C1 ZINC000336664946 173138257 /nfs/dbraw/zinc/13/82/57/173138257.db2.gz LFEIXCQUTPITFK-CYBMUJFWSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3(C)COC3)C2)C1 ZINC000336664946 173138260 /nfs/dbraw/zinc/13/82/60/173138260.db2.gz LFEIXCQUTPITFK-CYBMUJFWSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3(C)COC3)C2)C1 ZINC000336664946 173138262 /nfs/dbraw/zinc/13/82/62/173138262.db2.gz LFEIXCQUTPITFK-CYBMUJFWSA-N 2 1 224.348 1.051 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@@H]2CCC[C@@H]21 ZINC000368610818 173152997 /nfs/dbraw/zinc/15/29/97/173152997.db2.gz BCXLDEHXOPVXJH-AVGNSLFASA-N 2 1 240.391 1.610 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000377796824 173154294 /nfs/dbraw/zinc/15/42/94/173154294.db2.gz VHXVJUVSOPUCBN-MELADBBJSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)[C@H]2CCC[C@H]21 ZINC000336775588 173154683 /nfs/dbraw/zinc/15/46/83/173154683.db2.gz ZKQQUFCFLZAYPA-FVCCEPFGSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+]1CC[C@](O)(CNC/C=C\c2ccccc2)C1 ZINC000358170499 173165800 /nfs/dbraw/zinc/16/58/00/173165800.db2.gz RIUHHFWKWDAMRZ-KKTNHOPESA-N 2 1 246.354 1.356 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C/C=C\c2ccccc2)C1 ZINC000358170499 173165802 /nfs/dbraw/zinc/16/58/02/173165802.db2.gz RIUHHFWKWDAMRZ-KKTNHOPESA-N 2 1 246.354 1.356 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C/C=C\c2ccccc2)C1 ZINC000358170499 173165803 /nfs/dbraw/zinc/16/58/03/173165803.db2.gz RIUHHFWKWDAMRZ-KKTNHOPESA-N 2 1 246.354 1.356 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCF)C2)C1 ZINC000367847878 173167436 /nfs/dbraw/zinc/16/74/36/173167436.db2.gz RIEFSEKWSAENRT-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCF)C2)C1 ZINC000367847878 173167437 /nfs/dbraw/zinc/16/74/37/173167437.db2.gz RIEFSEKWSAENRT-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCF)C2)C1 ZINC000367847878 173167438 /nfs/dbraw/zinc/16/74/38/173167438.db2.gz RIEFSEKWSAENRT-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(O)c3)C[C@@H]2C1 ZINC000194543737 173196943 /nfs/dbraw/zinc/19/69/43/173196943.db2.gz WMMOXKHSTPOWDT-BETUJISGSA-N 2 1 232.327 1.386 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(O)c3)C[C@@H]2C1 ZINC000194543737 173196946 /nfs/dbraw/zinc/19/69/46/173196946.db2.gz WMMOXKHSTPOWDT-BETUJISGSA-N 2 1 232.327 1.386 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(O)c3)C[C@@H]2C1 ZINC000194543737 173196948 /nfs/dbraw/zinc/19/69/48/173196948.db2.gz WMMOXKHSTPOWDT-BETUJISGSA-N 2 1 232.327 1.386 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(O)c3)C[C@@H]2C1 ZINC000194543737 173196950 /nfs/dbraw/zinc/19/69/50/173196950.db2.gz WMMOXKHSTPOWDT-BETUJISGSA-N 2 1 232.327 1.386 20 0 BDADMP C[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000037240641 173322720 /nfs/dbraw/zinc/32/27/20/173322720.db2.gz SCDBMVUYZQADGP-UHFFFAOYSA-N 2 1 248.370 1.922 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOCc1ccccc1 ZINC000306173321 173345610 /nfs/dbraw/zinc/34/56/10/173345610.db2.gz JHPPYIZVEUPCPV-UHFFFAOYSA-N 2 1 236.359 1.745 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOCc1ccccc1 ZINC000306173321 173345611 /nfs/dbraw/zinc/34/56/11/173345611.db2.gz JHPPYIZVEUPCPV-UHFFFAOYSA-N 2 1 236.359 1.745 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000124913964 173345775 /nfs/dbraw/zinc/34/57/75/173345775.db2.gz KOQHCABGKZBSIG-UHFFFAOYSA-N 2 1 248.370 1.705 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCOC(C)C ZINC000336662870 173345912 /nfs/dbraw/zinc/34/59/12/173345912.db2.gz CIVOCRZUGZIMRU-UHFFFAOYSA-N 2 1 202.342 1.343 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(F)cc1 ZINC000124900277 173345924 /nfs/dbraw/zinc/34/59/24/173345924.db2.gz FBIAXNFBMFSGCT-UHFFFAOYSA-N 2 1 240.322 1.746 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000124900277 173345926 /nfs/dbraw/zinc/34/59/26/173345926.db2.gz FBIAXNFBMFSGCT-UHFFFAOYSA-N 2 1 240.322 1.746 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000124773180 173345965 /nfs/dbraw/zinc/34/59/65/173345965.db2.gz XLMSDXACKQEPLU-UHFFFAOYSA-N 2 1 240.322 1.876 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000124773180 173345966 /nfs/dbraw/zinc/34/59/66/173345966.db2.gz XLMSDXACKQEPLU-UHFFFAOYSA-N 2 1 240.322 1.876 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000053703549 173370005 /nfs/dbraw/zinc/37/00/05/173370005.db2.gz QMUYTSOJUZCGND-NSHDSACASA-N 2 1 220.320 1.282 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000011891980 173371267 /nfs/dbraw/zinc/37/12/67/173371267.db2.gz WAIOZZUVVFJNJE-AWEZNQCLSA-N 2 1 218.344 1.770 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359207432 173379910 /nfs/dbraw/zinc/37/99/10/173379910.db2.gz BBCOEAQWAWAVKA-CYBMUJFWSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359207432 173379911 /nfs/dbraw/zinc/37/99/11/173379911.db2.gz BBCOEAQWAWAVKA-CYBMUJFWSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000011891919 173381419 /nfs/dbraw/zinc/38/14/19/173381419.db2.gz OBZBMGSFNKOPMC-LLVKDONJSA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000011891919 173381420 /nfs/dbraw/zinc/38/14/20/173381420.db2.gz OBZBMGSFNKOPMC-LLVKDONJSA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000053013178 173381638 /nfs/dbraw/zinc/38/16/38/173381638.db2.gz XEYJUJUMSNFVET-GFCCVEGCSA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000053013178 173381639 /nfs/dbraw/zinc/38/16/39/173381639.db2.gz XEYJUJUMSNFVET-GFCCVEGCSA-N 2 1 222.307 1.867 20 0 BDADMP CCC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000310338991 487627472 /nfs/dbraw/zinc/62/74/72/487627472.db2.gz DJXFRVGSUYIZHL-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000310338991 487627479 /nfs/dbraw/zinc/62/74/79/487627479.db2.gz DJXFRVGSUYIZHL-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP COCC(C)(C)C[NH2+]CCC[N@@H+](C)C(C)C ZINC000336761111 174071986 /nfs/dbraw/zinc/07/19/86/174071986.db2.gz KFKMQBUVQBZDDY-UHFFFAOYSA-N 2 1 230.396 1.979 20 0 BDADMP COCC(C)(C)C[NH2+]CCCn1cc[nH+]c1C ZINC000337942086 174071568 /nfs/dbraw/zinc/07/15/68/174071568.db2.gz JXKGQMYIFSSJJY-UHFFFAOYSA-N 2 1 239.363 1.844 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@]2(C)CCCO2)C1 ZINC000401643063 487627992 /nfs/dbraw/zinc/62/79/92/487627992.db2.gz JGKQCTPFIVQNJN-QJPTWQEYSA-N 2 1 212.337 1.143 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310258621 174076341 /nfs/dbraw/zinc/07/63/41/174076341.db2.gz HFJXDEHSPMXQGB-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP COCC(C)(C)[N@H+](C)CCn1cc[nH+]c1C ZINC000292108487 174077133 /nfs/dbraw/zinc/07/71/33/174077133.db2.gz ITEPXIFXNYBLDG-UHFFFAOYSA-N 2 1 225.336 1.548 20 0 BDADMP COCC(C)(C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000292108487 174077137 /nfs/dbraw/zinc/07/71/37/174077137.db2.gz ITEPXIFXNYBLDG-UHFFFAOYSA-N 2 1 225.336 1.548 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000336724591 174106324 /nfs/dbraw/zinc/10/63/24/174106324.db2.gz UQMYYHYCEIGENW-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP COCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000368617117 174201916 /nfs/dbraw/zinc/20/19/16/174201916.db2.gz GGMZTLXBEOATBV-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP COCCC[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000338026857 174263026 /nfs/dbraw/zinc/26/30/26/174263026.db2.gz KVWLRRGGWPCTKV-LBPRGKRZSA-N 2 1 239.363 1.986 20 0 BDADMP COCCC[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000309494766 174263778 /nfs/dbraw/zinc/26/37/78/174263778.db2.gz YAVJTRQHQXMALH-WCQYABFASA-N 2 1 228.380 1.731 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000336779258 174304423 /nfs/dbraw/zinc/30/44/23/174304423.db2.gz NSEGRBZPMMUATR-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP COCC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000309131716 174384481 /nfs/dbraw/zinc/38/44/81/174384481.db2.gz XZCKIJQJHBHZAQ-NEPJUHHUSA-N 2 1 216.369 1.730 20 0 BDADMP COCC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000309131716 174384483 /nfs/dbraw/zinc/38/44/83/174384483.db2.gz XZCKIJQJHBHZAQ-NEPJUHHUSA-N 2 1 216.369 1.730 20 0 BDADMP COc1ccc(CC[C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712866 175092850 /nfs/dbraw/zinc/09/28/50/175092850.db2.gz VZPCFDINLZHHLO-LLVKDONJSA-N 2 1 222.332 1.565 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCCO1)C2 ZINC000383505829 487631501 /nfs/dbraw/zinc/63/15/01/487631501.db2.gz FXPWIPXIXAXWSH-IHRRRGAJSA-N 2 1 238.375 1.616 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000035694858 176028364 /nfs/dbraw/zinc/02/83/64/176028364.db2.gz CCRHYKVWDFJYEC-WDEREUQCSA-N 2 1 205.305 1.423 20 0 BDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336663782 176073327 /nfs/dbraw/zinc/07/33/27/176073327.db2.gz OYBIUMYJBLFIQC-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336663782 176073329 /nfs/dbraw/zinc/07/33/29/176073329.db2.gz OYBIUMYJBLFIQC-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336663782 176073330 /nfs/dbraw/zinc/07/33/30/176073330.db2.gz OYBIUMYJBLFIQC-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336663782 176073332 /nfs/dbraw/zinc/07/33/32/176073332.db2.gz OYBIUMYJBLFIQC-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309761059 176088796 /nfs/dbraw/zinc/08/87/96/176088796.db2.gz ISYGMNCGHQAWDR-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309761059 176088797 /nfs/dbraw/zinc/08/87/97/176088797.db2.gz ISYGMNCGHQAWDR-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000040725251 176172200 /nfs/dbraw/zinc/17/22/00/176172200.db2.gz HHRGDZJIYWIKQK-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000040725251 176172202 /nfs/dbraw/zinc/17/22/02/176172202.db2.gz HHRGDZJIYWIKQK-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](C)CC2)O1 ZINC000148473862 176206447 /nfs/dbraw/zinc/20/64/47/176206447.db2.gz CSPIOLJWHZABTK-PWSUYJOCSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000309829442 176268284 /nfs/dbraw/zinc/26/82/84/176268284.db2.gz YDRFRUJSRMMOSU-KGYLQXTDSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000358084156 176268540 /nfs/dbraw/zinc/26/85/40/176268540.db2.gz LTEZZFDOOOEACO-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000336781328 176269213 /nfs/dbraw/zinc/26/92/13/176269213.db2.gz UJKXKOLGFDOWOF-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1=CCCOC1 ZINC000348222941 176279357 /nfs/dbraw/zinc/27/93/57/176279357.db2.gz WSLQDOZHSFCYCA-YRGRVCCFSA-N 2 1 238.375 1.651 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cnccn1 ZINC000341901524 176279370 /nfs/dbraw/zinc/27/93/70/176279370.db2.gz YWNSGEWQDQZGNX-YRGRVCCFSA-N 2 1 248.374 1.337 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000035787519 176286432 /nfs/dbraw/zinc/28/64/32/176286432.db2.gz ONCCOLGQBLIQFL-GHMZBOCLSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000020072101 176288666 /nfs/dbraw/zinc/28/86/66/176288666.db2.gz LIKYVPSLDLFRKA-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC000351796631 176292467 /nfs/dbraw/zinc/29/24/67/176292467.db2.gz XTCZTOKQNDFKMQ-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000351796631 176292469 /nfs/dbraw/zinc/29/24/69/176292469.db2.gz XTCZTOKQNDFKMQ-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000351796631 176292470 /nfs/dbraw/zinc/29/24/70/176292470.db2.gz XTCZTOKQNDFKMQ-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000226422260 176292496 /nfs/dbraw/zinc/29/24/96/176292496.db2.gz RWINLFFEMSWNCZ-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000044982036 176297866 /nfs/dbraw/zinc/29/78/66/176297866.db2.gz XLLLBAVUSWFOFR-WOPDTQHZSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C1 ZINC000336684923 176298992 /nfs/dbraw/zinc/29/89/92/176298992.db2.gz FPJZHECYJJZMNU-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C1 ZINC000336684923 176298993 /nfs/dbraw/zinc/29/89/93/176298993.db2.gz FPJZHECYJJZMNU-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C1 ZINC000336684923 176298994 /nfs/dbraw/zinc/29/89/94/176298994.db2.gz FPJZHECYJJZMNU-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1 ZINC000336684923 176298995 /nfs/dbraw/zinc/29/89/95/176298995.db2.gz FPJZHECYJJZMNU-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000049712441 176307895 /nfs/dbraw/zinc/30/78/95/176307895.db2.gz BITNBYGBEBTVFI-PWSUYJOCSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000049712441 176307897 /nfs/dbraw/zinc/30/78/97/176307897.db2.gz BITNBYGBEBTVFI-PWSUYJOCSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251719607 176318026 /nfs/dbraw/zinc/31/80/26/176318026.db2.gz JVVDIEXSALMAES-NQBHXWOUSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251719607 176318027 /nfs/dbraw/zinc/31/80/27/176318027.db2.gz JVVDIEXSALMAES-NQBHXWOUSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305855740 176341998 /nfs/dbraw/zinc/34/19/98/176341998.db2.gz BMZSLFVOERXFKK-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353631485 176344803 /nfs/dbraw/zinc/34/48/03/176344803.db2.gz QPKWMJXQFKMUKU-OUAUKWLOSA-N 2 1 235.331 1.282 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cscn2)CC[NH2+]1 ZINC000235380121 176367504 /nfs/dbraw/zinc/36/75/04/176367504.db2.gz DKNZABGOQMHYJH-MNOVXSKESA-N 2 1 239.388 1.963 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000226439702 176370767 /nfs/dbraw/zinc/37/07/67/176370767.db2.gz GFRGGDJNIFQADD-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527870 177043731 /nfs/dbraw/zinc/04/37/31/177043731.db2.gz VBWYLAFWDFPCCZ-VXGBXAGGSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000375003018 177177714 /nfs/dbraw/zinc/17/77/14/177177714.db2.gz DWUCKKNLAWQXKB-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1CCOCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000375003018 177177716 /nfs/dbraw/zinc/17/77/16/177177716.db2.gz DWUCKKNLAWQXKB-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1CCOCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000375003018 177177718 /nfs/dbraw/zinc/17/77/18/177177718.db2.gz DWUCKKNLAWQXKB-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000360933144 177234460 /nfs/dbraw/zinc/23/44/60/177234460.db2.gz JVZKHTUWSXSJCV-RFQIPJPRSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000360933144 177234461 /nfs/dbraw/zinc/23/44/61/177234461.db2.gz JVZKHTUWSXSJCV-RFQIPJPRSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1C ZINC000336895414 177255024 /nfs/dbraw/zinc/25/50/24/177255024.db2.gz YTMXSEOBRQHTEK-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)C[C@H](C)[N@H+]1C ZINC000336895414 177255026 /nfs/dbraw/zinc/25/50/26/177255026.db2.gz YTMXSEOBRQHTEK-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000336895414 177255027 /nfs/dbraw/zinc/25/50/27/177255027.db2.gz YTMXSEOBRQHTEK-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000063152998 177267467 /nfs/dbraw/zinc/26/74/67/177267467.db2.gz QVXZTAKFVFRTKU-ONGXEEELSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000063152998 177267468 /nfs/dbraw/zinc/26/74/68/177267468.db2.gz QVXZTAKFVFRTKU-ONGXEEELSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000223223374 177301451 /nfs/dbraw/zinc/30/14/51/177301451.db2.gz UFXDKUDDDMDYPR-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000223223374 177301453 /nfs/dbraw/zinc/30/14/53/177301453.db2.gz UFXDKUDDDMDYPR-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1CSCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000069762444 177305223 /nfs/dbraw/zinc/30/52/23/177305223.db2.gz JNUARDYALBMLTG-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCCF)CC[N@H+]1C ZINC000308475507 177331490 /nfs/dbraw/zinc/33/14/90/177331490.db2.gz DLVXOFQHSJFKII-QWRGUYRKSA-N 2 1 202.317 1.808 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2ccncc2)CC[N@H+]1C ZINC000156642607 177332542 /nfs/dbraw/zinc/33/25/42/177332542.db2.gz QQEQQSXKUOYMDS-JSGCOSHPSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc2nccn21 ZINC000292817385 177336426 /nfs/dbraw/zinc/33/64/26/177336426.db2.gz PLDJFQPHEFRTLU-AAEUAGOBSA-N 2 1 245.326 1.680 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCCCF ZINC000308506267 177361588 /nfs/dbraw/zinc/36/15/88/177361588.db2.gz YZNINTOJZAPXET-WDEREUQCSA-N 2 1 202.317 1.795 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+]2CCC(F)(F)C2)CC[NH2+]1 ZINC000313334026 177362255 /nfs/dbraw/zinc/36/22/55/177362255.db2.gz DEYQQXHNWRKXET-VHSXEESVSA-N 2 1 218.291 1.716 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCC(F)(F)C2)CC[NH2+]1 ZINC000313334026 177362257 /nfs/dbraw/zinc/36/22/57/177362257.db2.gz DEYQQXHNWRKXET-VHSXEESVSA-N 2 1 218.291 1.716 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000235662803 177362513 /nfs/dbraw/zinc/36/25/13/177362513.db2.gz JLKIDSWYXTVNJX-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000045663921 177369455 /nfs/dbraw/zinc/36/94/55/177369455.db2.gz SWGJRMYSHFCPFX-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000045663921 177369458 /nfs/dbraw/zinc/36/94/58/177369458.db2.gz SWGJRMYSHFCPFX-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000036907810 177369664 /nfs/dbraw/zinc/36/96/64/177369664.db2.gz UWRPUIFLBSUQPP-CJQNXBEJSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[N@H+]1C ZINC000156609655 177370667 /nfs/dbraw/zinc/37/06/67/177370667.db2.gz GFNDAEOGPGMGDF-WCQYABFASA-N 2 1 221.348 1.597 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000486932688 225273283 /nfs/dbraw/zinc/27/32/83/225273283.db2.gz HHKXHKQTALDFGJ-QWHCGFSZSA-N 2 1 242.407 1.979 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000494911391 226271254 /nfs/dbraw/zinc/27/12/54/226271254.db2.gz UHCDXTVIGBFQFK-YRGRVCCFSA-N 2 1 240.391 1.731 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494934026 226271626 /nfs/dbraw/zinc/27/16/26/226271626.db2.gz UPDWJQDWFZOCKJ-VXGBXAGGSA-N 2 1 228.405 1.623 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400493572 226345120 /nfs/dbraw/zinc/34/51/20/226345120.db2.gz AHWSSLWDBBPMCB-MVWJERBFSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400541958 226346006 /nfs/dbraw/zinc/34/60/06/226346006.db2.gz KUKJULOLJIJHHQ-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000400562499 226346261 /nfs/dbraw/zinc/34/62/61/226346261.db2.gz IAOIYJJKTMDZLR-MDZLAQPJSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400630247 226348136 /nfs/dbraw/zinc/34/81/36/226348136.db2.gz LPJGQHVBZBFONR-UTUOFQBUSA-N 2 1 222.336 1.002 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000314980955 487669229 /nfs/dbraw/zinc/66/92/29/487669229.db2.gz XNMSAOJEDQLSFF-NEPJUHHUSA-N 2 1 236.363 1.022 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000166408470 229172894 /nfs/dbraw/zinc/17/28/94/229172894.db2.gz PVBWHNOASZPOFQ-DYEKYZERSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000166408470 229172896 /nfs/dbraw/zinc/17/28/96/229172896.db2.gz PVBWHNOASZPOFQ-DYEKYZERSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1cccnc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000404950876 229239133 /nfs/dbraw/zinc/23/91/33/229239133.db2.gz QHGSBEMLFHPSDD-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP CC(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678074840 487684599 /nfs/dbraw/zinc/68/45/99/487684599.db2.gz SPSDBUADYDFKFP-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000384025324 487686971 /nfs/dbraw/zinc/68/69/71/487686971.db2.gz QNIPEBVAFFZVOG-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000384025324 487686977 /nfs/dbraw/zinc/68/69/77/487686977.db2.gz QNIPEBVAFFZVOG-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000384025324 487686983 /nfs/dbraw/zinc/68/69/83/487686983.db2.gz QNIPEBVAFFZVOG-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000228622658 487695384 /nfs/dbraw/zinc/69/53/84/487695384.db2.gz SKSCISOSDWMJSV-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cncs1 ZINC000902454004 584608634 /nfs/dbraw/zinc/60/86/34/584608634.db2.gz HCOAFTVTARWTJC-JGVFFNPUSA-N 2 1 211.334 1.402 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206166657 974880625 /nfs/dbraw/zinc/88/06/25/974880625.db2.gz TXWBYPRNXABNAR-ZJUUUORDSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206166657 974880629 /nfs/dbraw/zinc/88/06/29/974880629.db2.gz TXWBYPRNXABNAR-ZJUUUORDSA-N 2 1 243.351 1.713 20 0 BDADMP CCCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000249861510 487724610 /nfs/dbraw/zinc/72/46/10/487724610.db2.gz WGAJKLGEYGMJEX-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP CCCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000249861510 487724612 /nfs/dbraw/zinc/72/46/12/487724612.db2.gz WGAJKLGEYGMJEX-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H](CO)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000675497773 487742417 /nfs/dbraw/zinc/74/24/17/487742417.db2.gz PYGPKADGAJTUEC-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](CO)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000675497773 487742422 /nfs/dbraw/zinc/74/24/22/487742422.db2.gz PYGPKADGAJTUEC-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCOC(C)(C)C1 ZINC000389285631 487743495 /nfs/dbraw/zinc/74/34/95/487743495.db2.gz VLKOOSCBMYBDCG-UHFFFAOYSA-N 2 1 200.326 1.097 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@H]1CNCCO1)C(C)(C)C ZINC000251081809 487748404 /nfs/dbraw/zinc/74/84/04/487748404.db2.gz WINVZQSAMWJBCA-GHMZBOCLSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@H]([N@@H+](C)C[C@H]1CNCCO1)C(C)(C)C ZINC000251081812 487748684 /nfs/dbraw/zinc/74/86/84/487748684.db2.gz WINVZQSAMWJBCA-WDEREUQCSA-N 2 1 214.353 1.341 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385250376 487777165 /nfs/dbraw/zinc/77/71/65/487777165.db2.gz QHUWZODRWSECAW-JSGCOSHPSA-N 2 1 249.358 1.852 20 0 BDADMP Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000413450639 487782220 /nfs/dbraw/zinc/78/22/20/487782220.db2.gz YPXORQDQZFHPBZ-CYBMUJFWSA-N 2 1 248.374 1.659 20 0 BDADMP Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000413450639 487782223 /nfs/dbraw/zinc/78/22/23/487782223.db2.gz YPXORQDQZFHPBZ-CYBMUJFWSA-N 2 1 248.374 1.659 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000307314687 487788779 /nfs/dbraw/zinc/78/87/79/487788779.db2.gz VPVGSMLFYJRMQJ-AWEZNQCLSA-N 2 1 234.343 1.484 20 0 BDADMP CC[C@@H]1C[N@H+]([C@H](C)COC)CC[C@@H]1[NH3+] ZINC000251728607 487792631 /nfs/dbraw/zinc/79/26/31/487792631.db2.gz KHFKDFUCOOHEBR-MXWKQRLJSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251740833 487794985 /nfs/dbraw/zinc/79/49/85/487794985.db2.gz RHFYLIPQKYVUJS-QWRGUYRKSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251740833 487794989 /nfs/dbraw/zinc/79/49/89/487794989.db2.gz RHFYLIPQKYVUJS-QWRGUYRKSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2C)CC[C@H]1[NH3+] ZINC000251841368 487801517 /nfs/dbraw/zinc/80/15/17/487801517.db2.gz QVOYVRBBWXJJBX-DGCLKSJQSA-N 2 1 236.363 1.288 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2C)CC[C@H]1[NH3+] ZINC000251841368 487801522 /nfs/dbraw/zinc/80/15/22/487801522.db2.gz QVOYVRBBWXJJBX-DGCLKSJQSA-N 2 1 236.363 1.288 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000229097731 487817198 /nfs/dbraw/zinc/81/71/98/487817198.db2.gz ACXPUSPGEAGVEE-RYUDHWBXSA-N 2 1 234.343 1.750 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000414699055 487817345 /nfs/dbraw/zinc/81/73/45/487817345.db2.gz DVXGFSYAHJHBHJ-NWDGAFQWSA-N 2 1 212.337 1.084 20 0 BDADMP COCC[N@@H+](CCC[NH3+])[C@H]1CC[C@H](C)C1 ZINC000414752511 487822196 /nfs/dbraw/zinc/82/21/96/487822196.db2.gz KXMDRLQLZPTDEV-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH3+] ZINC000414760830 487823259 /nfs/dbraw/zinc/82/32/59/487823259.db2.gz HQXKMYOVWAQHKD-YHWZYXNKSA-N 2 1 248.374 1.479 20 0 BDADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC[NH3+] ZINC000414765702 487823955 /nfs/dbraw/zinc/82/39/55/487823955.db2.gz QEFKUFXDJWTPGN-YUMQZZPRSA-N 2 1 210.243 1.608 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000414921794 487828803 /nfs/dbraw/zinc/82/88/03/487828803.db2.gz FWNHTLUWVGMRSN-SYQHCUMBSA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000414921794 487828811 /nfs/dbraw/zinc/82/88/11/487828811.db2.gz FWNHTLUWVGMRSN-SYQHCUMBSA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000414921794 487828815 /nfs/dbraw/zinc/82/88/15/487828815.db2.gz FWNHTLUWVGMRSN-SYQHCUMBSA-N 3 1 239.407 1.576 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488355535 527818794 /nfs/dbraw/zinc/81/87/94/527818794.db2.gz RONBSJMKVOGAAF-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488355535 527818797 /nfs/dbraw/zinc/81/87/97/527818797.db2.gz RONBSJMKVOGAAF-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@](C)([NH3+])CCC)C1 ZINC000389737945 487832683 /nfs/dbraw/zinc/83/26/83/487832683.db2.gz LFSZXPAVXYCAOZ-DGCLKSJQSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)n1C ZINC000668090247 487834727 /nfs/dbraw/zinc/83/47/27/487834727.db2.gz JBJMIGMJZITKFD-IINYFYTJSA-N 2 1 249.358 1.728 20 0 BDADMP Cc1cc[nH+]c(N[C@H](C)[C@H]2CN(C)CCO2)c1 ZINC000676314265 487835840 /nfs/dbraw/zinc/83/58/40/487835840.db2.gz PLUVJQXVEAEZQS-VXGBXAGGSA-N 2 1 235.331 1.521 20 0 BDADMP Cc1cc[nH+]c(N[C@@H](C)[C@H]2CN(C)CCO2)c1 ZINC000676314263 487835858 /nfs/dbraw/zinc/83/58/58/487835858.db2.gz PLUVJQXVEAEZQS-NWDGAFQWSA-N 2 1 235.331 1.521 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000676325413 487837737 /nfs/dbraw/zinc/83/77/37/487837737.db2.gz IGNCYFIHTFRXIU-ZWNOBZJWSA-N 2 1 244.342 1.935 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000676325413 487837740 /nfs/dbraw/zinc/83/77/40/487837740.db2.gz IGNCYFIHTFRXIU-ZWNOBZJWSA-N 2 1 244.342 1.935 20 0 BDADMP Cc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)nc1 ZINC000156607171 487838822 /nfs/dbraw/zinc/83/88/22/487838822.db2.gz WNIJPJYJBBPBPD-UHFFFAOYSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852743184 588698265 /nfs/dbraw/zinc/69/82/65/588698265.db2.gz ANSKDQFCLBISOF-VIFPVBQESA-N 2 1 222.279 1.157 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852743184 588698266 /nfs/dbraw/zinc/69/82/66/588698266.db2.gz ANSKDQFCLBISOF-VIFPVBQESA-N 2 1 222.279 1.157 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000309912011 487847308 /nfs/dbraw/zinc/84/73/08/487847308.db2.gz SEDOYZFCQPYMML-ZFWWWQNUSA-N 2 1 248.370 1.872 20 0 BDADMP Cc1cn2c(n1)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000666699040 487861819 /nfs/dbraw/zinc/86/18/19/487861819.db2.gz CFFCDUCNLVGHPO-AAEUAGOBSA-N 2 1 248.374 1.395 20 0 BDADMP Cc1cn2c(n1)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000666699040 487861823 /nfs/dbraw/zinc/86/18/23/487861823.db2.gz CFFCDUCNLVGHPO-AAEUAGOBSA-N 2 1 248.374 1.395 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(C[C@@H]3C[NH2+]CCO3)c2C[C@@H]1C ZINC000386603934 487874539 /nfs/dbraw/zinc/87/45/39/487874539.db2.gz IPESMHNCIOCMSS-WOPDTQHZSA-N 2 1 249.358 1.242 20 0 BDADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000225064982 487876763 /nfs/dbraw/zinc/87/67/63/487876763.db2.gz CNFNVQLWTQCVTA-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000666770572 487877415 /nfs/dbraw/zinc/87/74/15/487877415.db2.gz KBLNUDZWHQTQFK-AGIUHOORSA-N 3 1 225.380 1.106 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000226705449 487879192 /nfs/dbraw/zinc/87/91/92/487879192.db2.gz ZXOFPQQLHQYSMJ-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000666783286 487880113 /nfs/dbraw/zinc/88/01/13/487880113.db2.gz WRTDQHGMRUHTFM-QWHCGFSZSA-N 2 1 246.354 1.894 20 0 BDADMP C[C@@H](C[N@@H+]1CCN(C)C[C@@H]1CN)C(C)(C)C ZINC000304319424 487886643 /nfs/dbraw/zinc/88/66/43/487886643.db2.gz RUIWZQFQILSUFU-RYUDHWBXSA-N 2 1 227.396 1.243 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)CO1 ZINC000403799446 487888667 /nfs/dbraw/zinc/88/86/67/487888667.db2.gz DYKNGEOJCKJKGV-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403811196 487889974 /nfs/dbraw/zinc/88/99/74/487889974.db2.gz MLAVRWDJRJAZFQ-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403811196 487889975 /nfs/dbraw/zinc/88/99/75/487889975.db2.gz MLAVRWDJRJAZFQ-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666859003 487891924 /nfs/dbraw/zinc/89/19/24/487891924.db2.gz UZOJQBBVVRFYJP-AGIUHOORSA-N 3 1 225.380 1.249 20 0 BDADMP Cc1ccccc1C[N@H+](C)CC1CN(C)C1 ZINC000668538278 487903162 /nfs/dbraw/zinc/90/31/62/487903162.db2.gz YNIKLAKQGSGWGC-UHFFFAOYSA-N 2 1 218.344 1.988 20 0 BDADMP COC1(C[N@@H+](C)CC2CN(C)C2)CCCC1 ZINC000668539887 487906719 /nfs/dbraw/zinc/90/67/19/487906719.db2.gz PEVSQHIKBXVEFM-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666943408 487910510 /nfs/dbraw/zinc/91/05/10/487910510.db2.gz CSCZASDFCSOVFM-STQMWFEESA-N 2 1 222.307 1.785 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)=C(C)C1 ZINC000582554668 487916793 /nfs/dbraw/zinc/91/67/93/487916793.db2.gz TWPNYQJISGDYLZ-CYBMUJFWSA-N 2 1 226.364 1.341 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)=C(C)C1 ZINC000582554668 487916800 /nfs/dbraw/zinc/91/68/00/487916800.db2.gz TWPNYQJISGDYLZ-CYBMUJFWSA-N 2 1 226.364 1.341 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000582554668 487916806 /nfs/dbraw/zinc/91/68/06/487916806.db2.gz TWPNYQJISGDYLZ-CYBMUJFWSA-N 2 1 226.364 1.341 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC(C)=C(C)C1 ZINC000582554668 487916813 /nfs/dbraw/zinc/91/68/13/487916813.db2.gz TWPNYQJISGDYLZ-CYBMUJFWSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000157892666 487928829 /nfs/dbraw/zinc/92/88/29/487928829.db2.gz NZOPAGFMRSGAQK-STQMWFEESA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000157892666 487928830 /nfs/dbraw/zinc/92/88/30/487928830.db2.gz NZOPAGFMRSGAQK-STQMWFEESA-N 2 1 219.332 1.641 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCF)C1 ZINC000652363592 487932571 /nfs/dbraw/zinc/93/25/71/487932571.db2.gz IXSXHBLSFDOIML-UPJWGTAASA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404977943 487938617 /nfs/dbraw/zinc/93/86/17/487938617.db2.gz BSLRZFBBDWKIFJ-VXGBXAGGSA-N 2 1 218.344 1.995 20 0 BDADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[NH2+]1 ZINC000235355898 487944467 /nfs/dbraw/zinc/94/44/67/487944467.db2.gz IDOZEGXSKGZWKG-ZJUUUORDSA-N 2 1 235.335 1.095 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncnc2C)C1 ZINC000566475519 323000212 /nfs/dbraw/zinc/00/02/12/323000212.db2.gz MFIXYQSGOZPBSS-WCQYABFASA-N 2 1 248.374 1.777 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncnc2C)C1 ZINC000566475519 323000213 /nfs/dbraw/zinc/00/02/13/323000213.db2.gz MFIXYQSGOZPBSS-WCQYABFASA-N 2 1 248.374 1.777 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000562745919 323029788 /nfs/dbraw/zinc/02/97/88/323029788.db2.gz DHRGPUOLICNAPC-LLVKDONJSA-N 2 1 222.336 1.258 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccnn1C ZINC000569918734 323044225 /nfs/dbraw/zinc/04/42/25/323044225.db2.gz NOWRVUXRWCYVEQ-NSHDSACASA-N 2 1 224.352 1.459 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC(C)(C)CC1 ZINC000570286802 323055267 /nfs/dbraw/zinc/05/52/67/323055267.db2.gz ZUPMABKKWXHLMF-ZDUSSCGKSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CC1(F)CC1)CC[NH2+]CC2 ZINC000570442810 323059501 /nfs/dbraw/zinc/05/95/01/323059501.db2.gz RCDFIVCANHEAAM-NSHDSACASA-N 2 1 226.339 1.953 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000567735510 323079605 /nfs/dbraw/zinc/07/96/05/323079605.db2.gz LNNRDGQNBMQMJC-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CO1 ZINC000563121834 323093605 /nfs/dbraw/zinc/09/36/05/323093605.db2.gz GYGBQMSGZBYPJX-JQWIXIFHSA-N 2 1 235.331 1.415 20 0 BDADMP C[C@@H]([NH3+])c1ccc(OCc2noc(C[NH3+])n2)cc1 ZINC000563145951 323095404 /nfs/dbraw/zinc/09/54/04/323095404.db2.gz HJHFBRSMOPSJPH-MRVPVSSYSA-N 2 1 248.286 1.127 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000531716361 323112048 /nfs/dbraw/zinc/11/20/48/323112048.db2.gz SYHQXURCNQCQTE-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1nccnc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401791674 323123992 /nfs/dbraw/zinc/12/39/92/323123992.db2.gz CIWZSYTYMLPACS-SNVBAGLBSA-N 2 1 245.330 1.412 20 0 BDADMP CC(C)[NH2+]CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000563451881 323126601 /nfs/dbraw/zinc/12/66/01/323126601.db2.gz QWSZDFJOFLYRGL-UHFFFAOYSA-N 2 1 247.342 1.121 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000401833897 323127778 /nfs/dbraw/zinc/12/77/78/323127778.db2.gz HGSSUDWLJKXRTK-AAEUAGOBSA-N 2 1 237.347 1.367 20 0 BDADMP CCCc1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000563638416 323133271 /nfs/dbraw/zinc/13/32/71/323133271.db2.gz ZEGPSHDIWOENGW-QWRGUYRKSA-N 2 1 237.347 1.987 20 0 BDADMP COC[C@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000518804720 323142703 /nfs/dbraw/zinc/14/27/03/323142703.db2.gz ZSSWHAYWHIDGKH-LLVKDONJSA-N 2 1 202.342 1.152 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571431251 323144697 /nfs/dbraw/zinc/14/46/97/323144697.db2.gz NEVUDSIWIMZHNX-KBPBESRZSA-N 2 1 241.423 1.694 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571431251 323144698 /nfs/dbraw/zinc/14/46/98/323144698.db2.gz NEVUDSIWIMZHNX-KBPBESRZSA-N 3 1 241.423 1.694 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571431251 323144699 /nfs/dbraw/zinc/14/46/99/323144699.db2.gz NEVUDSIWIMZHNX-KBPBESRZSA-N 3 1 241.423 1.694 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CC1)C1CCC1 ZINC000571578821 323148304 /nfs/dbraw/zinc/14/83/04/323148304.db2.gz YWNIWAMVWFVPJU-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CC1)C1CCC1 ZINC000571578821 323148305 /nfs/dbraw/zinc/14/83/05/323148305.db2.gz YWNIWAMVWFVPJU-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC1CC1)C1CCC1 ZINC000571578821 323148306 /nfs/dbraw/zinc/14/83/06/323148306.db2.gz YWNIWAMVWFVPJU-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC1CC1)C1CCC1 ZINC000571578821 323148307 /nfs/dbraw/zinc/14/83/07/323148307.db2.gz YWNIWAMVWFVPJU-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000309025127 323194377 /nfs/dbraw/zinc/19/43/77/323194377.db2.gz XMBYGWPOENSTMT-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000309025127 323194378 /nfs/dbraw/zinc/19/43/78/323194378.db2.gz XMBYGWPOENSTMT-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000309025127 323194379 /nfs/dbraw/zinc/19/43/79/323194379.db2.gz XMBYGWPOENSTMT-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000309025127 323194380 /nfs/dbraw/zinc/19/43/80/323194380.db2.gz XMBYGWPOENSTMT-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000070624297 323205146 /nfs/dbraw/zinc/20/51/46/323205146.db2.gz NTQYTSJNOFSZNF-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192533105 323223291 /nfs/dbraw/zinc/22/32/91/323223291.db2.gz ZMIIQAZRDIEWJS-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192533105 323223292 /nfs/dbraw/zinc/22/32/92/323223292.db2.gz ZMIIQAZRDIEWJS-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000328460292 323251958 /nfs/dbraw/zinc/25/19/58/323251958.db2.gz GYGFEHSPBDWGQJ-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP CCC[C@@H](C[NH2+]C1CC[NH+](C)CC1)OCC ZINC000527748388 323676698 /nfs/dbraw/zinc/67/66/98/323676698.db2.gz VVNNUJFCGDXQEK-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000530220591 324539197 /nfs/dbraw/zinc/53/91/97/324539197.db2.gz BNXSZNWVQFIGPQ-KWBADKCTSA-N 2 1 247.342 1.265 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076000761 325325216 /nfs/dbraw/zinc/32/52/16/325325216.db2.gz PZJICEQLUCNXIF-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000548794557 325485365 /nfs/dbraw/zinc/48/53/65/325485365.db2.gz QNVIAYUQNITTPB-CYBMUJFWSA-N 2 1 249.358 1.740 20 0 BDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000566201303 326011862 /nfs/dbraw/zinc/01/18/62/326011862.db2.gz SXKYHOHVXYNGQN-NSHDSACASA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000566201302 326011874 /nfs/dbraw/zinc/01/18/74/326011874.db2.gz SXKYHOHVXYNGQN-LLVKDONJSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000566229875 326019091 /nfs/dbraw/zinc/01/90/91/326019091.db2.gz QSQAAPSRKBAXPC-QSLWVIQJSA-N 3 1 239.407 1.623 20 0 BDADMP C[C@@]1(CN2CCC(CC[NH3+])CC2)CC[NH2+]C1 ZINC000566316917 326032724 /nfs/dbraw/zinc/03/27/24/326032724.db2.gz SUVBNRJYHSUOLI-CYBMUJFWSA-N 2 1 225.380 1.047 20 0 BDADMP CCCCNC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000566411896 326041443 /nfs/dbraw/zinc/04/14/43/326041443.db2.gz MSQJWVGNFLCSCG-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000566480975 326055675 /nfs/dbraw/zinc/05/56/75/326055675.db2.gz CXZWEHAVMWVGAI-AVGNSLFASA-N 2 1 227.396 1.575 20 0 BDADMP CC[C@H](c1nc(C[C@@H](C)[NH2+]C)no1)[NH+](C)C ZINC000566914368 326093514 /nfs/dbraw/zinc/09/35/14/326093514.db2.gz MSLYOMAZTRHNGF-RKDXNWHRSA-N 2 1 226.324 1.233 20 0 BDADMP CC[N@H+](CC(=O)Nc1ccncc1[O-])C1CC1 ZINC000153829789 326114742 /nfs/dbraw/zinc/11/47/42/326114742.db2.gz ASACNUJNPJOHSY-UHFFFAOYSA-N 2 1 235.287 1.210 20 0 BDADMP CC[N@@H+](CC(=O)Nc1ccncc1[O-])C1CC1 ZINC000153829789 326114747 /nfs/dbraw/zinc/11/47/47/326114747.db2.gz ASACNUJNPJOHSY-UHFFFAOYSA-N 2 1 235.287 1.210 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000567639271 326236745 /nfs/dbraw/zinc/23/67/45/326236745.db2.gz CWJPRHIZPSVEQA-QWHCGFSZSA-N 3 1 227.396 1.352 20 0 BDADMP Cc1cccc(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)n1 ZINC000567760548 326256020 /nfs/dbraw/zinc/25/60/20/326256020.db2.gz WPDNEBSASJQPNT-CQSZACIVSA-N 2 1 247.386 1.816 20 0 BDADMP Cc1cccc(CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)n1 ZINC000567760548 326256021 /nfs/dbraw/zinc/25/60/21/326256021.db2.gz WPDNEBSASJQPNT-CQSZACIVSA-N 2 1 247.386 1.816 20 0 BDADMP C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000567899630 326274489 /nfs/dbraw/zinc/27/44/89/326274489.db2.gz LITXSXRJVJBONK-DDHJBXDOSA-N 2 1 212.337 1.284 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)CC(C)(C)O ZINC000314955093 326312077 /nfs/dbraw/zinc/31/20/77/326312077.db2.gz USACSDXNAPWSPO-UHFFFAOYSA-N 2 1 239.363 1.446 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)CC(C)(C)O ZINC000314955093 326312078 /nfs/dbraw/zinc/31/20/78/326312078.db2.gz USACSDXNAPWSPO-UHFFFAOYSA-N 2 1 239.363 1.446 20 0 BDADMP CC[C@@H](COC)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000568273448 326339293 /nfs/dbraw/zinc/33/92/93/326339293.db2.gz RWBZIFGWAATAAO-LBPRGKRZSA-N 2 1 237.347 1.662 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)on1 ZINC000568499282 326359764 /nfs/dbraw/zinc/35/97/64/326359764.db2.gz CYFWGUWRTBDCMO-MFKMUULPSA-N 2 1 237.347 1.715 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@]2(C)CO)CC[NH2+]1 ZINC000569199963 326394481 /nfs/dbraw/zinc/39/44/81/326394481.db2.gz DDLQPYRTCAYQHD-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227534568 488011704 /nfs/dbraw/zinc/01/17/04/488011704.db2.gz VITXGOQHFNYKKG-BIMULSAOSA-N 2 1 220.316 1.756 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049553969 488018445 /nfs/dbraw/zinc/01/84/45/488018445.db2.gz NFRFXKPBMZKUON-SECBINFHSA-N 2 1 210.325 1.148 20 0 BDADMP C[N@@H+](CCNC(=O)CC(C)(C)[NH3+])C1CCCC1 ZINC000084186874 488035758 /nfs/dbraw/zinc/03/57/58/488035758.db2.gz WHYJUVHLQHQEDQ-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP CC[N@H+](Cc1cnc(C)n1C)C[C@@H]1CCCO1 ZINC000667545564 488041446 /nfs/dbraw/zinc/04/14/46/488041446.db2.gz CGXFERRBTXKSGY-ZDUSSCGKSA-N 2 1 237.347 1.729 20 0 BDADMP CCN(Cc1cnc(C)n1C)C[C@@H]1CCCO1 ZINC000667545564 488041450 /nfs/dbraw/zinc/04/14/50/488041450.db2.gz CGXFERRBTXKSGY-ZDUSSCGKSA-N 2 1 237.347 1.729 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)CS1 ZINC000655756192 488046107 /nfs/dbraw/zinc/04/61/07/488046107.db2.gz BCFNVRLEAFDCHW-MNOVXSKESA-N 2 1 239.388 1.836 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000388608804 488049825 /nfs/dbraw/zinc/04/98/25/488049825.db2.gz XBHSNMJBVILWJH-HZSPNIEDSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC2CCOCC2)n1C ZINC000667617350 488060087 /nfs/dbraw/zinc/06/00/87/488060087.db2.gz OUTXJFFSSJRAHP-UHFFFAOYSA-N 2 1 237.347 1.587 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)n1C ZINC000667648911 488070893 /nfs/dbraw/zinc/07/08/93/488070893.db2.gz DFVQVNJGQNBJCU-JQWIXIFHSA-N 2 1 237.347 1.464 20 0 BDADMP CO[C@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC000667648848 488071275 /nfs/dbraw/zinc/07/12/75/488071275.db2.gz BMPIHAYIMHYOLX-NSHDSACASA-N 2 1 221.304 1.050 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000389109302 488077645 /nfs/dbraw/zinc/07/76/45/488077645.db2.gz ADROBZMBOJSZRE-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000389109302 488077650 /nfs/dbraw/zinc/07/76/50/488077650.db2.gz ADROBZMBOJSZRE-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257757619 488087982 /nfs/dbraw/zinc/08/79/82/488087982.db2.gz WXVWDTVNQPVZMP-GXTWGEPZSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257757619 488087986 /nfs/dbraw/zinc/08/79/86/488087986.db2.gz WXVWDTVNQPVZMP-GXTWGEPZSA-N 2 1 231.343 1.828 20 0 BDADMP COCCCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000397380961 488117090 /nfs/dbraw/zinc/11/70/90/488117090.db2.gz HMWUMNTXIKKYBU-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP COCCCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000397380961 488117098 /nfs/dbraw/zinc/11/70/98/488117098.db2.gz HMWUMNTXIKKYBU-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP COCCCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000397380961 488117102 /nfs/dbraw/zinc/11/71/02/488117102.db2.gz HMWUMNTXIKKYBU-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086729963 487540125 /nfs/dbraw/zinc/54/01/25/487540125.db2.gz PKPODPRPTKMJEN-GXFFZTMASA-N 2 1 222.307 1.708 20 0 BDADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000086729731 487540200 /nfs/dbraw/zinc/54/02/00/487540200.db2.gz LPRMNTXLTRDVKL-KGLIPLIRSA-N 2 1 216.328 1.495 20 0 BDADMP C[C@H](CC[NH2+]Cc1cn[nH]c1)[NH+]1CCCCC1 ZINC000680147930 487540650 /nfs/dbraw/zinc/54/06/50/487540650.db2.gz QAFWFPYWQJSCMN-GFCCVEGCSA-N 2 1 236.363 1.764 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000168862564 487547845 /nfs/dbraw/zinc/54/78/45/487547845.db2.gz HLIZKRARKZCBCM-LLVKDONJSA-N 2 1 236.363 1.024 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000168862564 487547850 /nfs/dbraw/zinc/54/78/50/487547850.db2.gz HLIZKRARKZCBCM-LLVKDONJSA-N 2 1 236.363 1.024 20 0 BDADMP C[N@@H+](CCOC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC000382751876 487550446 /nfs/dbraw/zinc/55/04/46/487550446.db2.gz HDNUJRCHSICWIH-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCOC2)C1 ZINC000674302107 487554680 /nfs/dbraw/zinc/55/46/80/487554680.db2.gz JOQWJZCHVNKRAJ-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302107 487554684 /nfs/dbraw/zinc/55/46/84/487554684.db2.gz JOQWJZCHVNKRAJ-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302107 487554688 /nfs/dbraw/zinc/55/46/88/487554688.db2.gz JOQWJZCHVNKRAJ-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCOC1 ZINC000685577776 487556371 /nfs/dbraw/zinc/55/63/71/487556371.db2.gz HOFSCVSQVUCDKG-CHWSQXEVSA-N 2 1 249.358 1.556 20 0 BDADMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCOC1 ZINC000685577776 487556375 /nfs/dbraw/zinc/55/63/75/487556375.db2.gz HOFSCVSQVUCDKG-CHWSQXEVSA-N 2 1 249.358 1.556 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H](NCc2ncc[nH]2)C1 ZINC000657562293 488135014 /nfs/dbraw/zinc/13/50/14/488135014.db2.gz MIQTVUZUKPQYKC-SNVBAGLBSA-N 2 1 222.336 1.372 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381160610 487499656 /nfs/dbraw/zinc/49/96/56/487499656.db2.gz RGTSJXKDQHQDRV-STQMWFEESA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000227735047 487504675 /nfs/dbraw/zinc/50/46/75/487504675.db2.gz QXNFBJPIFKSNDP-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@@H+](CCN1CCCCC1)CC1CC[NH2+]CC1 ZINC000094024250 487504678 /nfs/dbraw/zinc/50/46/78/487504678.db2.gz FRTUOMCXAKSUOP-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP CN(CC[NH+]1CCCCC1)CC1CC[NH2+]CC1 ZINC000094024250 487504682 /nfs/dbraw/zinc/50/46/82/487504682.db2.gz FRTUOMCXAKSUOP-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cc(N)ccc32)CC1 ZINC000094076411 487512743 /nfs/dbraw/zinc/51/27/43/487512743.db2.gz VNRQRVZJVLTXEC-OAHLLOKOSA-N 2 1 245.370 1.940 20 0 BDADMP Cc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cn1 ZINC000304547062 487510582 /nfs/dbraw/zinc/51/05/82/487510582.db2.gz JPHNZEHEVNJDJG-ZDUSSCGKSA-N 2 1 221.348 1.853 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)n1C ZINC000668236857 487518822 /nfs/dbraw/zinc/51/88/22/487518822.db2.gz YQTSNYHAVOXPLW-YPMHNXCESA-N 2 1 235.331 1.339 20 0 BDADMP Cc1ncc(CN2CCC[C@@H]3COC[C@@H]32)n1C ZINC000668236857 487518826 /nfs/dbraw/zinc/51/88/26/487518826.db2.gz YQTSNYHAVOXPLW-YPMHNXCESA-N 2 1 235.331 1.339 20 0 BDADMP C[N@H+](CCO[C@H]1CC1(F)F)[C@@H](C[NH3+])C1CC1 ZINC000662273310 487520418 /nfs/dbraw/zinc/52/04/18/487520418.db2.gz NVKJPBBXFIMPPX-UWVGGRQHSA-N 2 1 234.290 1.080 20 0 BDADMP C[N@@H+](CCO[C@H]1CC1(F)F)[C@@H](C[NH3+])C1CC1 ZINC000662273310 487520425 /nfs/dbraw/zinc/52/04/25/487520425.db2.gz NVKJPBBXFIMPPX-UWVGGRQHSA-N 2 1 234.290 1.080 20 0 BDADMP C[N@H+](C[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCOC1 ZINC000685577778 487557239 /nfs/dbraw/zinc/55/72/39/487557239.db2.gz HOFSCVSQVUCDKG-QWHCGFSZSA-N 2 1 249.358 1.556 20 0 BDADMP C[N@@H+](C[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCOC1 ZINC000685577778 487557245 /nfs/dbraw/zinc/55/72/45/487557245.db2.gz HOFSCVSQVUCDKG-QWHCGFSZSA-N 2 1 249.358 1.556 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419312 487823986 /nfs/dbraw/zinc/82/39/86/487823986.db2.gz YYIFFNWWCIKGGI-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP c1nc2n(c1C[N@H+]1CC[C@@H]3COC[C@@H]3C1)CCC2 ZINC000668705925 488145884 /nfs/dbraw/zinc/14/58/84/488145884.db2.gz OLRZQOAJYGRXJC-NEPJUHHUSA-N 2 1 247.342 1.298 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1ccnn1C ZINC000230775506 488157053 /nfs/dbraw/zinc/15/70/53/488157053.db2.gz MNQRXEJHLNDSML-CYBMUJFWSA-N 2 1 238.379 1.268 20 0 BDADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000657877422 488159581 /nfs/dbraw/zinc/15/95/81/488159581.db2.gz RANGWUUOWNDDBW-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC1CC1 ZINC000380123656 488175654 /nfs/dbraw/zinc/17/56/54/488175654.db2.gz VEILTSPJCSGDAW-GFCCVEGCSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC1CC1 ZINC000380123656 488175659 /nfs/dbraw/zinc/17/56/59/488175659.db2.gz VEILTSPJCSGDAW-GFCCVEGCSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC1CC1 ZINC000380123656 488175661 /nfs/dbraw/zinc/17/56/61/488175661.db2.gz VEILTSPJCSGDAW-GFCCVEGCSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000678043403 488178848 /nfs/dbraw/zinc/17/88/48/488178848.db2.gz CETILBKSRGGCDZ-JSGCOSHPSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000678043403 488178850 /nfs/dbraw/zinc/17/88/50/488178850.db2.gz CETILBKSRGGCDZ-JSGCOSHPSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000678043403 488178853 /nfs/dbraw/zinc/17/88/53/488178853.db2.gz CETILBKSRGGCDZ-JSGCOSHPSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc3n2CCC3)CC[C@H]1O ZINC000668011437 488183900 /nfs/dbraw/zinc/18/39/00/488183900.db2.gz BBJDMYOPGSENOX-CMPLNLGQSA-N 2 1 235.331 1.032 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678079369 488191880 /nfs/dbraw/zinc/19/18/80/488191880.db2.gz VUFSYBMGWXZILN-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678079369 488191882 /nfs/dbraw/zinc/19/18/82/488191882.db2.gz VUFSYBMGWXZILN-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1COCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678080954 488192885 /nfs/dbraw/zinc/19/28/85/488192885.db2.gz QGQSYUUINLPYNS-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1COCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678080954 488192888 /nfs/dbraw/zinc/19/28/88/488192888.db2.gz QGQSYUUINLPYNS-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1COCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678080954 488192891 /nfs/dbraw/zinc/19/28/91/488192891.db2.gz QGQSYUUINLPYNS-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP COCC1([N@@H+](C)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000678084512 488194109 /nfs/dbraw/zinc/19/41/09/488194109.db2.gz XTAAGHMBWZJNPN-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP COCC1([NH+](C)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000678084512 488194114 /nfs/dbraw/zinc/19/41/14/488194114.db2.gz XTAAGHMBWZJNPN-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP COCC1([NH+](C)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000678084512 488194116 /nfs/dbraw/zinc/19/41/16/488194116.db2.gz XTAAGHMBWZJNPN-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1CNCCO1 ZINC000043802868 488210239 /nfs/dbraw/zinc/21/02/39/488210239.db2.gz NMTDCMCLGPJEIU-QWRGUYRKSA-N 2 1 240.372 1.729 20 0 BDADMP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678604989 488270942 /nfs/dbraw/zinc/27/09/42/488270942.db2.gz BIQNWGTWGALADC-HZSPNIEDSA-N 2 1 238.375 1.364 20 0 BDADMP CC(C)(O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000684588966 488329143 /nfs/dbraw/zinc/32/91/43/488329143.db2.gz VBSFXSMFJKONPT-UHFFFAOYSA-N 2 1 249.358 1.365 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1CCCc1c[nH+]cn1C ZINC000314696279 490092084 /nfs/dbraw/zinc/09/20/84/490092084.db2.gz CVWPSGFCLMVRJV-ZDUSSCGKSA-N 2 1 236.363 1.037 20 0 BDADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000666814066 490097307 /nfs/dbraw/zinc/09/73/07/490097307.db2.gz APDICWFJLYVNBJ-CHWSQXEVSA-N 2 1 246.354 1.894 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383723841 490200043 /nfs/dbraw/zinc/20/00/43/490200043.db2.gz YVWFAUSKVNIABO-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)[C@H](C)C1 ZINC000305112950 490437583 /nfs/dbraw/zinc/43/75/83/490437583.db2.gz GQYLQMJBXMFWBQ-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CO)CC[N@H+]1C ZINC000128103453 490572153 /nfs/dbraw/zinc/57/21/53/490572153.db2.gz DDLJTLGMHUWVTI-MNOVXSKESA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000383740019 491090570 /nfs/dbraw/zinc/09/05/70/491090570.db2.gz IDYGMBAKTWMGNB-MJBXVCDLSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000383740019 491090571 /nfs/dbraw/zinc/09/05/71/491090571.db2.gz IDYGMBAKTWMGNB-MJBXVCDLSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000665282916 491107971 /nfs/dbraw/zinc/10/79/71/491107971.db2.gz DWSHDBIXRVHROF-JHJVBQTASA-N 3 1 227.396 1.467 20 0 BDADMP CCc1cc(NCC[N@H+](C)C2CC2)nc(C)[nH+]1 ZINC000088760394 491108530 /nfs/dbraw/zinc/10/85/30/491108530.db2.gz OUBPEQGHIQBLLI-UHFFFAOYSA-N 2 1 234.347 1.854 20 0 BDADMP CCc1cc(NCC[N@@H+](C)C2CC2)nc(C)[nH+]1 ZINC000088760394 491108531 /nfs/dbraw/zinc/10/85/31/491108531.db2.gz OUBPEQGHIQBLLI-UHFFFAOYSA-N 2 1 234.347 1.854 20 0 BDADMP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320574 491124441 /nfs/dbraw/zinc/12/44/41/491124441.db2.gz DSDYXMYBFNWZDT-STQMWFEESA-N 2 1 234.318 1.785 20 0 BDADMP CCn1nc(C)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000307974772 491134986 /nfs/dbraw/zinc/13/49/86/491134986.db2.gz QBHFHKYYWLUQAO-CHWSQXEVSA-N 2 1 248.374 1.171 20 0 BDADMP CCOCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757126489 582500501 /nfs/dbraw/zinc/50/05/01/582500501.db2.gz FXQTWMYHFBOPQT-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP CCCn1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000227285949 535613437 /nfs/dbraw/zinc/61/34/37/535613437.db2.gz DWVDWPBXZISKMH-LBPRGKRZSA-N 2 1 238.379 1.723 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000488319176 534019484 /nfs/dbraw/zinc/01/94/84/534019484.db2.gz BRQJTNINRNGEBP-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000488319176 534019489 /nfs/dbraw/zinc/01/94/89/534019489.db2.gz BRQJTNINRNGEBP-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000488319176 534019497 /nfs/dbraw/zinc/01/94/97/534019497.db2.gz BRQJTNINRNGEBP-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP COc1cccc(C[C@@H]([NH2+]CC[NH3+])C2CC2)c1 ZINC000423185276 518164682 /nfs/dbraw/zinc/16/46/82/518164682.db2.gz NGRLPHJECBOTSS-CQSZACIVSA-N 2 1 234.343 1.565 20 0 BDADMP C[C@H]1[N@@H+](CC2CC[NH+](C)CC2)CCOC1(C)C ZINC000892068413 582783446 /nfs/dbraw/zinc/78/34/46/582783446.db2.gz NEQMXMWODARTNY-GFCCVEGCSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(C[C@]3(C)CC[NH2+]C3)[C@@H]2C1 ZINC000262092260 536465119 /nfs/dbraw/zinc/46/51/19/536465119.db2.gz UXJHUWIMMREQEG-MGPQQGTHSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000336026835 536481413 /nfs/dbraw/zinc/48/14/13/536481413.db2.gz PXULCDCHORRDLP-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000336026835 536481415 /nfs/dbraw/zinc/48/14/15/536481415.db2.gz PXULCDCHORRDLP-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]2C)C1 ZINC000488355535 527818787 /nfs/dbraw/zinc/81/87/87/527818787.db2.gz RONBSJMKVOGAAF-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)OCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400371789 527977582 /nfs/dbraw/zinc/97/75/82/527977582.db2.gz HBNWEHHZYOCGNJ-GHMZBOCLSA-N 2 1 200.326 1.142 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494310403 528254758 /nfs/dbraw/zinc/25/47/58/528254758.db2.gz KUYNWSVSLMTGFK-ZDUSSCGKSA-N 2 1 242.407 1.981 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400406315 528980263 /nfs/dbraw/zinc/98/02/63/528980263.db2.gz RNGRDWWFSVYHGL-AXFHLTTASA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308863398 529319862 /nfs/dbraw/zinc/31/98/62/529319862.db2.gz CRIDPPUYDVFGOB-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(C)(C)O ZINC000227737321 535062529 /nfs/dbraw/zinc/06/25/29/535062529.db2.gz ZDZONPNLBLIGPA-SNVBAGLBSA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000227736469 535062809 /nfs/dbraw/zinc/06/28/09/535062809.db2.gz PSOQIHLSVWJVDI-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)(O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261545924 535293442 /nfs/dbraw/zinc/29/34/42/535293442.db2.gz GJWUQJAELZYUMH-CHWSQXEVSA-N 2 1 234.343 1.882 20 0 BDADMP CC1(C)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000342571899 535323163 /nfs/dbraw/zinc/32/31/63/535323163.db2.gz FIDZXLUIBSTAKA-ZDUSSCGKSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261548464 535392643 /nfs/dbraw/zinc/39/26/43/535392643.db2.gz BKESALWPBIBZFW-LBPRGKRZSA-N 2 1 248.374 1.384 20 0 BDADMP CC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261548464 535392648 /nfs/dbraw/zinc/39/26/48/535392648.db2.gz BKESALWPBIBZFW-LBPRGKRZSA-N 2 1 248.374 1.384 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226594199 535590255 /nfs/dbraw/zinc/59/02/55/535590255.db2.gz YSDCGXRAHJKAOT-RWMBFGLXSA-N 2 1 228.380 1.874 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000164147670 535871092 /nfs/dbraw/zinc/87/10/92/535871092.db2.gz XYCKNLRUKZIDLS-WDEREUQCSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000164147670 535871087 /nfs/dbraw/zinc/87/10/87/535871087.db2.gz XYCKNLRUKZIDLS-WDEREUQCSA-N 2 1 222.336 1.072 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC000261596177 535897490 /nfs/dbraw/zinc/89/74/90/535897490.db2.gz YOYVULYDGFZLCO-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC000261596177 535897492 /nfs/dbraw/zinc/89/74/92/535897492.db2.gz YOYVULYDGFZLCO-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000227743811 536343012 /nfs/dbraw/zinc/34/30/12/536343012.db2.gz BKEVSGYHPWYSLJ-UHFFFAOYSA-N 2 1 232.249 1.885 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000227743811 536343014 /nfs/dbraw/zinc/34/30/14/536343014.db2.gz BKEVSGYHPWYSLJ-UHFFFAOYSA-N 2 1 232.249 1.885 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)CCOC)C1 ZINC000251228935 536365291 /nfs/dbraw/zinc/36/52/91/536365291.db2.gz PVZLYEMVZZXACM-GHMZBOCLSA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)CCOC)C1 ZINC000251228935 536365293 /nfs/dbraw/zinc/36/52/93/536365293.db2.gz PVZLYEMVZZXACM-GHMZBOCLSA-N 2 1 200.326 1.095 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000183686225 536370425 /nfs/dbraw/zinc/37/04/25/536370425.db2.gz CIBRJPTYKNOBCG-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC000336114062 536381103 /nfs/dbraw/zinc/38/11/03/536381103.db2.gz WKEINSACNGQIRZ-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC000336114062 536381105 /nfs/dbraw/zinc/38/11/05/536381105.db2.gz WKEINSACNGQIRZ-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC000336114062 536381107 /nfs/dbraw/zinc/38/11/07/536381107.db2.gz WKEINSACNGQIRZ-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000261764506 536464714 /nfs/dbraw/zinc/46/47/14/536464714.db2.gz DHBAUXDNQUSIQM-MJBXVCDLSA-N 2 1 237.391 1.012 20 0 BDADMP CN1CC[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000261764506 536464716 /nfs/dbraw/zinc/46/47/16/536464716.db2.gz DHBAUXDNQUSIQM-MJBXVCDLSA-N 2 1 237.391 1.012 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000261764506 536464717 /nfs/dbraw/zinc/46/47/17/536464717.db2.gz DHBAUXDNQUSIQM-MJBXVCDLSA-N 2 1 237.391 1.012 20 0 BDADMP COCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250442231 536591900 /nfs/dbraw/zinc/59/19/00/536591900.db2.gz BEFOBKPGNYDWAI-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000261535411 536685006 /nfs/dbraw/zinc/68/50/06/536685006.db2.gz YJFYXVHBHSJJRY-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261563702 536692541 /nfs/dbraw/zinc/69/25/41/536692541.db2.gz XELDUGADKPBUDI-ZWNOBZJWSA-N 2 1 235.331 1.320 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351481778 536874789 /nfs/dbraw/zinc/87/47/89/536874789.db2.gz YFHJSOVEEIJCKE-AVGNSLFASA-N 2 1 226.364 1.472 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000853248330 588729230 /nfs/dbraw/zinc/72/92/30/588729230.db2.gz DEYTWJZQQJALOZ-LNFKQOIKSA-N 2 1 246.445 1.564 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1SCCS1 ZINC000854231830 588781263 /nfs/dbraw/zinc/78/12/63/588781263.db2.gz NJUMVNKSJUDPGG-VHSXEESVSA-N 2 1 246.445 1.770 20 0 BDADMP CCOCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757126489 582500498 /nfs/dbraw/zinc/50/04/98/582500498.db2.gz FXQTWMYHFBOPQT-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000846221343 582653343 /nfs/dbraw/zinc/65/33/43/582653343.db2.gz BZTNIGZXNAUHPD-UONOGXRCSA-N 2 1 234.343 1.450 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000891660188 582707011 /nfs/dbraw/zinc/70/70/11/582707011.db2.gz NFFIGSPHMYNIAX-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1COCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892077250 582786276 /nfs/dbraw/zinc/78/62/76/582786276.db2.gz PLBOJVGDIQUSMU-LBPRGKRZSA-N 2 1 226.364 1.297 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(F)F ZINC000849031688 582834124 /nfs/dbraw/zinc/83/41/24/582834124.db2.gz ZEURTPKZAHCCBV-VIFPVBQESA-N 2 1 248.321 1.240 20 0 BDADMP Cn1c[nH+]cc1CCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750891 583016914 /nfs/dbraw/zinc/01/69/14/583016914.db2.gz IQBJPAZTBSYYFX-CQSZACIVSA-N 2 1 248.374 1.181 20 0 BDADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]cc1CO ZINC000893228620 583075012 /nfs/dbraw/zinc/07/50/12/583075012.db2.gz KUGZEKAPLINLRF-UHFFFAOYSA-N 2 1 235.331 1.104 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000219375317 583175431 /nfs/dbraw/zinc/17/54/31/583175431.db2.gz VBDQQSSJLNPTGJ-ZDUSSCGKSA-N 2 1 226.364 1.999 20 0 BDADMP C[C@H]1[C@H](C)[N@@H+](CC2CC[NH+](C)CC2)CCN1C ZINC000893669601 583192312 /nfs/dbraw/zinc/19/23/12/583192312.db2.gz QTDNPNUPYZWYRM-STQMWFEESA-N 2 1 239.407 1.353 20 0 BDADMP COC(=O)C1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000877724293 583344460 /nfs/dbraw/zinc/34/44/60/583344460.db2.gz VPZIVCVTHGFNGK-ZYGVAYEYSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)C1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000877724293 583344462 /nfs/dbraw/zinc/34/44/62/583344462.db2.gz VPZIVCVTHGFNGK-ZYGVAYEYSA-N 2 1 240.347 1.010 20 0 BDADMP Cc1coc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000894582369 583488156 /nfs/dbraw/zinc/48/81/56/583488156.db2.gz YIXLGBYYTDTXQL-TXEJJXNPSA-N 2 1 220.316 1.581 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000894860779 583534523 /nfs/dbraw/zinc/53/45/23/583534523.db2.gz GLMYAQCHULIUIW-AAEUAGOBSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnccn1 ZINC000894984870 583564303 /nfs/dbraw/zinc/56/43/03/583564303.db2.gz MPDDKDDRUVQEGF-QWHCGFSZSA-N 2 1 248.374 1.859 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000895136848 583602479 /nfs/dbraw/zinc/60/24/79/583602479.db2.gz LKRBKEFAKWUUBN-GFCCVEGCSA-N 2 1 244.379 1.506 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000895185513 583618963 /nfs/dbraw/zinc/61/89/63/583618963.db2.gz NYMJJOZJGAYSEC-PHIMTYICSA-N 2 1 230.302 1.525 20 0 BDADMP C[C@H](CC[NH2+]Cc1ccc(F)nc1)[NH+](C)C ZINC000895294835 583638535 /nfs/dbraw/zinc/63/85/35/583638535.db2.gz VAMPWTXBXGCIPK-SNVBAGLBSA-N 2 1 225.311 1.651 20 0 BDADMP C[N@H+]1CC[C@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC000895767571 583723050 /nfs/dbraw/zinc/72/30/50/583723050.db2.gz NXIDKCXVRLJVGX-QMMMGPOBSA-N 2 1 245.248 1.638 20 0 BDADMP CC[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c(C)c1 ZINC000895802249 583731806 /nfs/dbraw/zinc/73/18/06/583731806.db2.gz PZMIKFOQELRLIK-ZDUSSCGKSA-N 2 1 249.358 1.335 20 0 BDADMP CC[S@](=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858133632 588934509 /nfs/dbraw/zinc/93/45/09/588934509.db2.gz TZEYYQSTQIAXNP-BZNIZROVSA-N 2 1 246.420 1.217 20 0 BDADMP CC[S@](=O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858133632 588934510 /nfs/dbraw/zinc/93/45/10/588934510.db2.gz TZEYYQSTQIAXNP-BZNIZROVSA-N 2 1 246.420 1.217 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH+](C)C ZINC000896879169 583844896 /nfs/dbraw/zinc/84/48/96/583844896.db2.gz ZKLMISJKXXKWAQ-RFGFWPKPSA-N 2 1 240.391 1.731 20 0 BDADMP CCO[C@@H](C[NH2+]CCC[C@H]1CCO1)C[NH+](C)C ZINC000896880007 583845127 /nfs/dbraw/zinc/84/51/27/583845127.db2.gz KZRDKKYIPUZCOT-STQMWFEESA-N 2 1 244.379 1.112 20 0 BDADMP C[N@H+](Cc1cccc(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000897391680 583948375 /nfs/dbraw/zinc/94/83/75/583948375.db2.gz XSHIPPCBDMBKLK-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP OCc1cc(N[C@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000858363028 588948662 /nfs/dbraw/zinc/94/86/62/588948662.db2.gz DJXQVRQIQRBTFR-NSHDSACASA-N 2 1 233.315 1.223 20 0 BDADMP COCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343753398 584011835 /nfs/dbraw/zinc/01/18/35/584011835.db2.gz TUUNOVORZBTXAB-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP COCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343753398 584011837 /nfs/dbraw/zinc/01/18/37/584011837.db2.gz TUUNOVORZBTXAB-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@]2(C)C1 ZINC000897620736 584032432 /nfs/dbraw/zinc/03/24/32/584032432.db2.gz XXSGSXAWEIAONH-XQQFMLRXSA-N 2 1 240.416 1.623 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@]2(C)C1 ZINC000897620736 584032435 /nfs/dbraw/zinc/03/24/35/584032435.db2.gz XXSGSXAWEIAONH-XQQFMLRXSA-N 2 1 240.416 1.623 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCSC3)C[C@]2(C)C1 ZINC000897620736 584032436 /nfs/dbraw/zinc/03/24/36/584032436.db2.gz XXSGSXAWEIAONH-XQQFMLRXSA-N 2 1 240.416 1.623 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+](C)CC1 ZINC000897971230 584061742 /nfs/dbraw/zinc/06/17/42/584061742.db2.gz XBADVEOIWJCQTO-GFCCVEGCSA-N 2 1 233.359 1.696 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898110492 584083945 /nfs/dbraw/zinc/08/39/45/584083945.db2.gz FCSBMIVATKDRIW-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841051038 584124861 /nfs/dbraw/zinc/12/48/61/584124861.db2.gz MVSBVCGOYPJXIA-QMMMGPOBSA-N 2 1 213.712 1.562 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000841065153 584127202 /nfs/dbraw/zinc/12/72/02/584127202.db2.gz YEJUYBHUPVXHFM-MWLCHTKSSA-N 2 1 239.750 1.823 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](O)CC(C)(C)C2)CC[NH2+]1 ZINC000873221797 584127305 /nfs/dbraw/zinc/12/73/05/584127305.db2.gz QHHWARBPAOLLGI-UPJWGTAASA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000873282963 584129071 /nfs/dbraw/zinc/12/90/71/584129071.db2.gz XTGNDZYTPBMHNP-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])N[C@@H](C)C1CC1)C(C)C ZINC000899265179 584189594 /nfs/dbraw/zinc/18/95/94/584189594.db2.gz SHJJHSAWYCBUAN-NSHDSACASA-N 2 1 240.395 1.629 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321358 584552716 /nfs/dbraw/zinc/55/27/16/584552716.db2.gz UVNQKOCWKJPEDI-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccncc1 ZINC000902408247 584575394 /nfs/dbraw/zinc/57/53/94/584575394.db2.gz YNZUFRCRWGLNED-LLVKDONJSA-N 2 1 205.305 1.614 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902417214 584590911 /nfs/dbraw/zinc/59/09/11/584590911.db2.gz XWOOQTDCYQKLPF-LLVKDONJSA-N 2 1 234.343 1.707 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC2(C)C)C[N@H+]1C1CC1 ZINC000902448953 584605581 /nfs/dbraw/zinc/60/55/81/584605581.db2.gz KBLOOKQGZPZWDJ-NQBHXWOUSA-N 2 1 237.391 1.199 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000902454719 584608790 /nfs/dbraw/zinc/60/87/90/584608790.db2.gz TZEYRALDQBPEPX-XNQJJRNTSA-N 2 1 236.359 1.282 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000902457013 584610490 /nfs/dbraw/zinc/61/04/90/584610490.db2.gz RQKOVOFPVBSZSZ-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP Cn1cnc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000902461711 584611398 /nfs/dbraw/zinc/61/13/98/584611398.db2.gz QARFTRPXSBMDLF-GHMZBOCLSA-N 2 1 236.363 1.416 20 0 BDADMP C1C[C@@H]2C[C@H](N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC[N@H+]2C1 ZINC000902470848 584616424 /nfs/dbraw/zinc/61/64/24/584616424.db2.gz HRZQXTNTZMTROF-RYMFRWLXSA-N 2 1 235.375 1.096 20 0 BDADMP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000902471288 584616690 /nfs/dbraw/zinc/61/66/90/584616690.db2.gz MABNLOVVBSOPDN-ZNSHCXBVSA-N 2 1 212.362 1.365 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000902515691 584629174 /nfs/dbraw/zinc/62/91/74/584629174.db2.gz YHDQPYSXQGWCBK-NEPJUHHUSA-N 2 1 244.342 1.612 20 0 BDADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)cnc1F ZINC000902621233 584644731 /nfs/dbraw/zinc/64/47/31/584644731.db2.gz AXSFRBJOHHAKRN-UHFFFAOYSA-N 2 1 248.305 1.595 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000903067369 584723354 /nfs/dbraw/zinc/72/33/54/584723354.db2.gz SEORFMNHNWIYRG-OLZOCXBDSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000903430812 584761467 /nfs/dbraw/zinc/76/14/67/584761467.db2.gz CQOAADATAPRDJR-RISCZKNCSA-N 2 1 246.354 1.606 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000903430812 584761468 /nfs/dbraw/zinc/76/14/68/584761468.db2.gz CQOAADATAPRDJR-RISCZKNCSA-N 2 1 246.354 1.606 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000903441427 584763543 /nfs/dbraw/zinc/76/35/43/584763543.db2.gz RPMHWGHIFJKOQQ-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3COCC[C@@H]32)C1 ZINC000903441456 584763812 /nfs/dbraw/zinc/76/38/12/584763812.db2.gz SZLQTTFFSMPUCQ-DGAVXFQQSA-N 2 1 238.375 1.615 20 0 BDADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC000903424833 584764908 /nfs/dbraw/zinc/76/49/08/584764908.db2.gz IKHPDRVVCYTLDV-GFCCVEGCSA-N 2 1 248.374 1.859 20 0 BDADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000903424834 584765562 /nfs/dbraw/zinc/76/55/62/584765562.db2.gz IKHPDRVVCYTLDV-LBPRGKRZSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903458834 584765702 /nfs/dbraw/zinc/76/57/02/584765702.db2.gz LIJZXANOKKIXBT-LOWDOPEQSA-N 3 1 225.380 1.031 20 0 BDADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903459345 584765968 /nfs/dbraw/zinc/76/59/68/584765968.db2.gz TUDJIGGDEGNWAI-HZSPNIEDSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903458827 584766030 /nfs/dbraw/zinc/76/60/30/584766030.db2.gz LEJYCXLVYNPVLW-ZYHUDNBSSA-N 2 1 228.336 1.060 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000903461188 584766427 /nfs/dbraw/zinc/76/64/27/584766427.db2.gz OWEMMNFNNWDYCU-RFQIPJPRSA-N 3 1 239.407 1.563 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000903459852 584766614 /nfs/dbraw/zinc/76/66/14/584766614.db2.gz OVAVIKYQNSKGON-RGDJUOJXSA-N 3 1 239.407 1.147 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000903459852 584766616 /nfs/dbraw/zinc/76/66/16/584766616.db2.gz OVAVIKYQNSKGON-RGDJUOJXSA-N 3 1 239.407 1.147 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000903459850 584766921 /nfs/dbraw/zinc/76/69/21/584766921.db2.gz OVAVIKYQNSKGON-KSTCHIGDSA-N 3 1 239.407 1.147 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000903459850 584766922 /nfs/dbraw/zinc/76/69/22/584766922.db2.gz OVAVIKYQNSKGON-KSTCHIGDSA-N 3 1 239.407 1.147 20 0 BDADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464077 584767316 /nfs/dbraw/zinc/76/73/16/584767316.db2.gz YTUNUXHDOPTOQO-MQYQWHSLSA-N 2 1 240.391 1.325 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464943 584767647 /nfs/dbraw/zinc/76/76/47/584767647.db2.gz ZWKZIOGTECERQO-XQHKEYJVSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000903464376 584767958 /nfs/dbraw/zinc/76/79/58/584767958.db2.gz LBMVATMMDMXMFV-RDBSUJKOSA-N 2 1 238.375 1.344 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000903443990 584768510 /nfs/dbraw/zinc/76/85/10/584768510.db2.gz MAUAGPAFFDEJMD-MBNYWOFBSA-N 2 1 237.391 1.282 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445362 584769371 /nfs/dbraw/zinc/76/93/71/584769371.db2.gz JASVSIBHLFAREE-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445362 584769373 /nfs/dbraw/zinc/76/93/73/584769373.db2.gz JASVSIBHLFAREE-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445362 584769375 /nfs/dbraw/zinc/76/93/75/584769375.db2.gz JASVSIBHLFAREE-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903444252 584769460 /nfs/dbraw/zinc/76/94/60/584769460.db2.gz QYTHUZANOOOYMO-RFQIPJPRSA-N 2 1 239.407 1.528 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903444252 584769462 /nfs/dbraw/zinc/76/94/62/584769462.db2.gz QYTHUZANOOOYMO-RFQIPJPRSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000903444252 584769464 /nfs/dbraw/zinc/76/94/64/584769464.db2.gz QYTHUZANOOOYMO-RFQIPJPRSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1C ZINC000903444252 584769466 /nfs/dbraw/zinc/76/94/66/584769466.db2.gz QYTHUZANOOOYMO-RFQIPJPRSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1C ZINC000903444252 584769468 /nfs/dbraw/zinc/76/94/68/584769468.db2.gz QYTHUZANOOOYMO-RFQIPJPRSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903444253 584769753 /nfs/dbraw/zinc/76/97/53/584769753.db2.gz QYTHUZANOOOYMO-YIYPIFLZSA-N 2 1 239.407 1.528 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903444253 584769754 /nfs/dbraw/zinc/76/97/54/584769754.db2.gz QYTHUZANOOOYMO-YIYPIFLZSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000903444253 584769755 /nfs/dbraw/zinc/76/97/55/584769755.db2.gz QYTHUZANOOOYMO-YIYPIFLZSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1C ZINC000903444253 584769756 /nfs/dbraw/zinc/76/97/56/584769756.db2.gz QYTHUZANOOOYMO-YIYPIFLZSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1C ZINC000903444253 584769757 /nfs/dbraw/zinc/76/97/57/584769757.db2.gz QYTHUZANOOOYMO-YIYPIFLZSA-N 3 1 239.407 1.528 20 0 BDADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)OC1CC1 ZINC000903453988 584773013 /nfs/dbraw/zinc/77/30/13/584773013.db2.gz QTEUSEYRRLFQQM-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OC1CC1 ZINC000903454448 584773260 /nfs/dbraw/zinc/77/32/60/584773260.db2.gz ZWSXQYQELAFJEZ-GXTWGEPZSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1ccns1 ZINC000903455318 584773817 /nfs/dbraw/zinc/77/38/17/584773817.db2.gz UBEGBVONHFXJMH-SNVBAGLBSA-N 2 1 227.377 1.649 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1ccns1 ZINC000903455559 584773847 /nfs/dbraw/zinc/77/38/47/584773847.db2.gz ZUMYBPPEWZWEIR-SCVCMEIPSA-N 2 1 239.388 1.662 20 0 BDADMP CCn1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000903471464 584775567 /nfs/dbraw/zinc/77/55/67/584775567.db2.gz JLUCAXFHASMABD-CYBMUJFWSA-N 2 1 248.374 1.320 20 0 BDADMP Cn1cc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cn1 ZINC000903481383 584777946 /nfs/dbraw/zinc/77/79/46/584777946.db2.gz AEOVHKAZYCUWNV-ZDUSSCGKSA-N 2 1 248.374 1.227 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)O1 ZINC000903481578 584778080 /nfs/dbraw/zinc/77/80/80/584778080.db2.gz GVOZRDUGCRJCDQ-UPJWGTAASA-N 2 1 238.375 1.818 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CCCCO1 ZINC000903482231 584778478 /nfs/dbraw/zinc/77/84/78/584778478.db2.gz ZOVDBRFZYFQYHN-OLZOCXBDSA-N 2 1 238.375 1.820 20 0 BDADMP FC(F)COCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903482959 584778511 /nfs/dbraw/zinc/77/85/11/584778511.db2.gz AGVPMHZNJXLWHH-SNVBAGLBSA-N 2 1 248.317 1.532 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000903482265 584778945 /nfs/dbraw/zinc/77/89/45/584778945.db2.gz ZZAGENQZFAOHGW-STQMWFEESA-N 2 1 240.391 1.922 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000903499659 584779976 /nfs/dbraw/zinc/77/99/76/584779976.db2.gz LKQZWZIWQUYITC-ADEWGFFLSA-N 2 1 237.347 1.961 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1CO ZINC000903490988 584780781 /nfs/dbraw/zinc/78/07/81/584780781.db2.gz PYGUMAZWKHKCQO-GFCCVEGCSA-N 2 1 214.353 1.352 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903491075 584780874 /nfs/dbraw/zinc/78/08/74/584780874.db2.gz UIWLVYIZRVZYCC-QMMMGPOBSA-N 2 1 240.244 1.702 20 0 BDADMP CC(C)(C)OC[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903563677 584782037 /nfs/dbraw/zinc/78/20/37/584782037.db2.gz IOEFPVSRINWHQK-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C)C[N@H+](CCCc2ccncc2)C[C@H]1N ZINC000903556627 584782790 /nfs/dbraw/zinc/78/27/90/584782790.db2.gz BYMWYYLEWHNQNM-CYBMUJFWSA-N 2 1 233.359 1.683 20 0 BDADMP CC1(C)C[N@@H+](CCCc2ccncc2)C[C@H]1N ZINC000903556627 584782792 /nfs/dbraw/zinc/78/27/92/584782792.db2.gz BYMWYYLEWHNQNM-CYBMUJFWSA-N 2 1 233.359 1.683 20 0 BDADMP C[N@H+](Cc1cnn(CCF)c1)CC(C)(C)C[NH3+] ZINC000903718083 584792402 /nfs/dbraw/zinc/79/24/02/584792402.db2.gz ZHYXOTSJVSZDAA-UHFFFAOYSA-N 2 1 242.342 1.269 20 0 BDADMP C[N@@H+](Cc1cnn(CCF)c1)CC(C)(C)C[NH3+] ZINC000903718083 584792404 /nfs/dbraw/zinc/79/24/04/584792404.db2.gz ZHYXOTSJVSZDAA-UHFFFAOYSA-N 2 1 242.342 1.269 20 0 BDADMP CCCC[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717403 584792546 /nfs/dbraw/zinc/79/25/46/584792546.db2.gz QIEYCPARHRVBGO-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@@H+](CC1CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729916 584793059 /nfs/dbraw/zinc/79/30/59/584793059.db2.gz SNEOCYLGMWXTJK-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP OCCCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903729567 584793126 /nfs/dbraw/zinc/79/31/26/584793126.db2.gz OVSCNDGNWCSIBU-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727157 584793131 /nfs/dbraw/zinc/79/31/31/584793131.db2.gz RFSTZJPPBFGKEH-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713670 584793634 /nfs/dbraw/zinc/79/36/34/584793634.db2.gz YZTMRKSMFKYFFG-ZIAGYGMSSA-N 3 1 239.407 1.308 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713670 584793636 /nfs/dbraw/zinc/79/36/36/584793636.db2.gz YZTMRKSMFKYFFG-ZIAGYGMSSA-N 3 1 239.407 1.308 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715872 584794028 /nfs/dbraw/zinc/79/40/28/584794028.db2.gz BBDQNLABSKWBAP-IHRRRGAJSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715872 584794030 /nfs/dbraw/zinc/79/40/30/584794030.db2.gz BBDQNLABSKWBAP-IHRRRGAJSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903746100 584794217 /nfs/dbraw/zinc/79/42/17/584794217.db2.gz FIROSYXUBULSNX-LBPRGKRZSA-N 2 1 240.326 1.023 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903746100 584794218 /nfs/dbraw/zinc/79/42/18/584794218.db2.gz FIROSYXUBULSNX-LBPRGKRZSA-N 2 1 240.326 1.023 20 0 BDADMP CC1CC(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000903775829 584799394 /nfs/dbraw/zinc/79/93/94/584799394.db2.gz OUMLBJHMCZTCNJ-LLZFXZEUSA-N 2 1 222.376 1.964 20 0 BDADMP FC[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903781971 584799807 /nfs/dbraw/zinc/79/98/07/584799807.db2.gz CCRKTFMLJVZRIL-YNEHKIRRSA-N 2 1 242.338 1.046 20 0 BDADMP CCCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903812933 584803328 /nfs/dbraw/zinc/80/33/28/584803328.db2.gz BJLSPKINAISJJB-UHFFFAOYSA-N 2 1 226.364 1.631 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827486 584804811 /nfs/dbraw/zinc/80/48/11/584804811.db2.gz UKHOOTCIMOQBHG-GFCCVEGCSA-N 2 1 244.404 1.179 20 0 BDADMP C[C@@H]1CSCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903829355 584805708 /nfs/dbraw/zinc/80/57/08/584805708.db2.gz DOHXCEPKLSUFAC-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000903840495 584807252 /nfs/dbraw/zinc/80/72/52/584807252.db2.gz RILNTFGKSXCMIB-VXGBXAGGSA-N 2 1 232.343 1.300 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000903849820 584808164 /nfs/dbraw/zinc/80/81/64/584808164.db2.gz HQMWCGQVKZYJFB-KGLIPLIRSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000903849820 584808165 /nfs/dbraw/zinc/80/81/65/584808165.db2.gz HQMWCGQVKZYJFB-KGLIPLIRSA-N 2 1 216.328 2.000 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@@H+]2CCc1cccnc1 ZINC000903856486 584808500 /nfs/dbraw/zinc/80/85/00/584808500.db2.gz REQAOGBXKBFHIH-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2CCc1cccnc1 ZINC000903856486 584808501 /nfs/dbraw/zinc/80/85/01/584808501.db2.gz REQAOGBXKBFHIH-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCc1cccnc1 ZINC000903856486 584808502 /nfs/dbraw/zinc/80/85/02/584808502.db2.gz REQAOGBXKBFHIH-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCc1cccnc1 ZINC000903856486 584808503 /nfs/dbraw/zinc/80/85/03/584808503.db2.gz REQAOGBXKBFHIH-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP COCCCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855299 584808591 /nfs/dbraw/zinc/80/85/91/584808591.db2.gz MJNAPBMVCDNBJU-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855299 584808592 /nfs/dbraw/zinc/80/85/92/584808592.db2.gz MJNAPBMVCDNBJU-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903855495 584809471 /nfs/dbraw/zinc/80/94/71/584809471.db2.gz OKCYNYCQWOPVST-GHMZBOCLSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855495 584809472 /nfs/dbraw/zinc/80/94/72/584809472.db2.gz OKCYNYCQWOPVST-GHMZBOCLSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855495 584809474 /nfs/dbraw/zinc/80/94/74/584809474.db2.gz OKCYNYCQWOPVST-GHMZBOCLSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855495 584809476 /nfs/dbraw/zinc/80/94/76/584809476.db2.gz OKCYNYCQWOPVST-GHMZBOCLSA-N 2 1 214.378 1.553 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863321 584812963 /nfs/dbraw/zinc/81/29/63/584812963.db2.gz BMUAEGFKZPEDQF-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863321 584812965 /nfs/dbraw/zinc/81/29/65/584812965.db2.gz BMUAEGFKZPEDQF-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869957 584814374 /nfs/dbraw/zinc/81/43/74/584814374.db2.gz LCQMXGSLPKSMMY-AVGNSLFASA-N 2 1 224.348 1.239 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000903872742 584815221 /nfs/dbraw/zinc/81/52/21/584815221.db2.gz BHMLRHFFPCLCRN-ZKXZWOTCSA-N 3 1 249.402 1.343 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903872742 584815222 /nfs/dbraw/zinc/81/52/22/584815222.db2.gz BHMLRHFFPCLCRN-ZKXZWOTCSA-N 2 1 249.402 1.343 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1[C@@H]2CC[C@H]1CNCC2 ZINC000903872742 584815223 /nfs/dbraw/zinc/81/52/23/584815223.db2.gz BHMLRHFFPCLCRN-ZKXZWOTCSA-N 2 1 249.402 1.343 20 0 BDADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C(C)C)cnn1C ZINC000903873632 584816117 /nfs/dbraw/zinc/81/61/17/584816117.db2.gz VXZSVQWMXPNBCD-GFCCVEGCSA-N 2 1 238.379 1.186 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903874478 584816359 /nfs/dbraw/zinc/81/63/59/584816359.db2.gz BQXLDRJMAQMPEU-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903882495 584817762 /nfs/dbraw/zinc/81/77/62/584817762.db2.gz OEKFEXRELKBKKG-YPMHNXCESA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903882495 584817764 /nfs/dbraw/zinc/81/77/64/584817764.db2.gz OEKFEXRELKBKKG-YPMHNXCESA-N 2 1 224.348 1.097 20 0 BDADMP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000903886289 584819124 /nfs/dbraw/zinc/81/91/24/584819124.db2.gz OOCXCNQSYKFLHI-LBPRGKRZSA-N 2 1 249.362 1.044 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903897968 584819792 /nfs/dbraw/zinc/81/97/92/584819792.db2.gz KTOIHFDSWJFSSV-WDEREUQCSA-N 2 1 249.349 1.243 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903912208 584822541 /nfs/dbraw/zinc/82/25/41/584822541.db2.gz BNMFNYKFELLIAB-ZGHZMMAESA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919894 584823134 /nfs/dbraw/zinc/82/31/34/584823134.db2.gz QBXIYMFCFOCSGF-WYTNZGFTSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903920512 584823242 /nfs/dbraw/zinc/82/32/42/584823242.db2.gz VMCQAJIKTUZYLX-MNOVXSKESA-N 3 1 233.359 1.158 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC[C@@H]([NH3+])CC(F)F ZINC000903923146 584823466 /nfs/dbraw/zinc/82/34/66/584823466.db2.gz MNHOASYSHNPUSF-WDEREUQCSA-N 2 1 249.349 1.433 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903939276 584823491 /nfs/dbraw/zinc/82/34/91/584823491.db2.gz FGFVBAYEYZUQFY-XQQFMLRXSA-N 3 1 239.407 1.624 20 0 BDADMP CC(C)OCCC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903926853 584824414 /nfs/dbraw/zinc/82/44/14/584824414.db2.gz UXNZEYHOAXDKLY-VIFPVBQESA-N 2 1 224.295 1.374 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934013 584824795 /nfs/dbraw/zinc/82/47/95/584824795.db2.gz YWCVWBGVZOPFFJ-IWNKAIHXSA-N 2 1 249.402 1.330 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934013 584824796 /nfs/dbraw/zinc/82/47/96/584824796.db2.gz YWCVWBGVZOPFFJ-IWNKAIHXSA-N 2 1 249.402 1.330 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934013 584824797 /nfs/dbraw/zinc/82/47/97/584824797.db2.gz YWCVWBGVZOPFFJ-IWNKAIHXSA-N 2 1 249.402 1.330 20 0 BDADMP C[C@H](O)C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903932836 584824916 /nfs/dbraw/zinc/82/49/16/584824916.db2.gz WHPRWFLPGDPNDA-WODVXLOZSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932815 584824958 /nfs/dbraw/zinc/82/49/58/584824958.db2.gz WBKNGIMSPXGKBU-ZJUUUORDSA-N 2 1 243.301 1.585 20 0 BDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CN1 ZINC000903917954 584827057 /nfs/dbraw/zinc/82/70/57/584827057.db2.gz PFODJWTZDCXGRX-WSOGJNRSSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C[NH2+]1 ZINC000903917954 584827058 /nfs/dbraw/zinc/82/70/58/584827058.db2.gz PFODJWTZDCXGRX-WSOGJNRSSA-N 2 1 237.391 1.199 20 0 BDADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(C)(C)N ZINC000903949137 584830404 /nfs/dbraw/zinc/83/04/04/584830404.db2.gz YRTFBCSXLMAODO-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(C)(C)[NH3+] ZINC000903949137 584830401 /nfs/dbraw/zinc/83/04/01/584830401.db2.gz YRTFBCSXLMAODO-UHFFFAOYSA-N 3 1 241.423 1.922 20 0 BDADMP CN(CCCC[NH+]1CCCCC1)CC(C)(C)[NH3+] ZINC000903949137 584830402 /nfs/dbraw/zinc/83/04/02/584830402.db2.gz YRTFBCSXLMAODO-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP C[N@H+](CCCC[NH+]1CCCCC1)CC(C)(C)N ZINC000903949137 584830403 /nfs/dbraw/zinc/83/04/03/584830403.db2.gz YRTFBCSXLMAODO-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H]1CC[NH3+] ZINC000903978589 584833209 /nfs/dbraw/zinc/83/32/09/584833209.db2.gz SNYMTAXRAKCWRN-NXEZZACHSA-N 2 1 200.301 1.405 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903967337 584834892 /nfs/dbraw/zinc/83/48/92/584834892.db2.gz HMOONSDVPNVLFM-YIYPIFLZSA-N 2 1 239.407 1.162 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903967337 584834893 /nfs/dbraw/zinc/83/48/93/584834893.db2.gz HMOONSDVPNVLFM-YIYPIFLZSA-N 3 1 239.407 1.162 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903967337 584834894 /nfs/dbraw/zinc/83/48/94/584834894.db2.gz HMOONSDVPNVLFM-YIYPIFLZSA-N 3 1 239.407 1.162 20 0 BDADMP [NH3+]Cc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC000904300138 584861222 /nfs/dbraw/zinc/86/12/22/584861222.db2.gz XAHLWVFGXOMKKM-UHFFFAOYSA-N 2 1 219.332 1.068 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904300761 584861537 /nfs/dbraw/zinc/86/15/37/584861537.db2.gz AHGXREDPFZSUIH-HNNXBMFYSA-N 3 1 249.402 1.951 20 0 BDADMP CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(C[NH3+])cc1 ZINC000904300761 584861539 /nfs/dbraw/zinc/86/15/39/584861539.db2.gz AHGXREDPFZSUIH-HNNXBMFYSA-N 2 1 249.402 1.951 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307072 584862377 /nfs/dbraw/zinc/86/23/77/584862377.db2.gz KASOXMPRONLBQH-TXEJJXNPSA-N 2 1 214.353 1.208 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000904312740 584863613 /nfs/dbraw/zinc/86/36/13/584863613.db2.gz SBJCRTATKYRLOT-SDDRHHMPSA-N 2 1 234.347 1.326 20 0 BDADMP CCOC(=O)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904313635 584863635 /nfs/dbraw/zinc/86/36/35/584863635.db2.gz IQUFGCNOZVQDSA-PHIMTYICSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904321940 584864751 /nfs/dbraw/zinc/86/47/51/584864751.db2.gz KXNCWNHRFDHVNY-BFHYXJOUSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@@H+](CCc1nccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325121 584865368 /nfs/dbraw/zinc/86/53/68/584865368.db2.gz PRJVKYVPRUMUDJ-PHIMTYICSA-N 2 1 239.388 1.745 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328238 584865550 /nfs/dbraw/zinc/86/55/50/584865550.db2.gz BSFIKTOZJSTUDJ-IHRRRGAJSA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CC2CC2)C2CCC2)C1 ZINC000904341622 584867217 /nfs/dbraw/zinc/86/72/17/584867217.db2.gz RDRFVESEWBMEFK-TXEJJXNPSA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](C3CCOCC3)C2)C1 ZINC000904342320 584867489 /nfs/dbraw/zinc/86/74/89/584867489.db2.gz CXFUOFFTRBEXCP-BNOWGMLFSA-N 2 1 238.375 1.472 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340918 584867571 /nfs/dbraw/zinc/86/75/71/584867571.db2.gz NVXSRQIGLXFUIF-YIYPIFLZSA-N 3 1 239.407 1.528 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340918 584867572 /nfs/dbraw/zinc/86/75/72/584867572.db2.gz NVXSRQIGLXFUIF-YIYPIFLZSA-N 3 1 239.407 1.528 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340918 584867573 /nfs/dbraw/zinc/86/75/73/584867573.db2.gz NVXSRQIGLXFUIF-YIYPIFLZSA-N 3 1 239.407 1.528 20 0 BDADMP CCN1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340918 584867574 /nfs/dbraw/zinc/86/75/74/584867574.db2.gz NVXSRQIGLXFUIF-YIYPIFLZSA-N 2 1 239.407 1.528 20 0 BDADMP CCN1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340918 584867575 /nfs/dbraw/zinc/86/75/75/584867575.db2.gz NVXSRQIGLXFUIF-YIYPIFLZSA-N 2 1 239.407 1.528 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C2CCOCC2)C1 ZINC000904346141 584868359 /nfs/dbraw/zinc/86/83/59/584868359.db2.gz PNAFZQGUQQRFKM-KWCYVHTRSA-N 2 1 238.375 1.615 20 0 BDADMP CC(C)(C)CC[C@H](N)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000904353591 584869741 /nfs/dbraw/zinc/86/97/41/584869741.db2.gz OFPKNLNJYLVEDQ-OLZOCXBDSA-N 2 1 241.423 1.729 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000904354030 584870291 /nfs/dbraw/zinc/87/02/91/584870291.db2.gz UNRQEWYZGNBPJE-UHFFFAOYSA-N 3 1 219.332 1.116 20 0 BDADMP C[C@@H](CO)[N@@H+](CC1CCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904367637 584872705 /nfs/dbraw/zinc/87/27/05/584872705.db2.gz BBRMXRROUAESHF-WCFLWFBJSA-N 2 1 226.364 1.207 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1CCO ZINC000904372233 584873293 /nfs/dbraw/zinc/87/32/93/584873293.db2.gz ZTOUIACKHWFLQX-CHWSQXEVSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1CCO ZINC000904372233 584873295 /nfs/dbraw/zinc/87/32/95/584873295.db2.gz ZTOUIACKHWFLQX-CHWSQXEVSA-N 2 1 242.407 1.987 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)C1 ZINC000904373207 584873784 /nfs/dbraw/zinc/87/37/84/584873784.db2.gz CJFKADASNBNJCQ-IGQOVBAYSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904373553 584874142 /nfs/dbraw/zinc/87/41/42/584874142.db2.gz SYNLNTRVAVDNEE-VEGXAWMVSA-N 3 1 225.380 1.029 20 0 BDADMP C[C@H](CN1CC[NH2+]CC[NH2+]CC1)c1ccccc1 ZINC000904397063 584875316 /nfs/dbraw/zinc/87/53/16/584875316.db2.gz XQRKOUMWIPUWJH-CQSZACIVSA-N 2 1 247.386 1.285 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOc3ccc(O)cc3C2)C1 ZINC000904379377 584876467 /nfs/dbraw/zinc/87/64/67/584876467.db2.gz TYISWOGVMWTLJS-KLPPZKSPSA-N 2 1 248.326 1.324 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379812 584876840 /nfs/dbraw/zinc/87/68/40/584876840.db2.gz XWFZFFVFOUWFGU-IHRRRGAJSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC000904410550 584879055 /nfs/dbraw/zinc/87/90/55/584879055.db2.gz HJZBBNQLASQRGS-CMPLNLGQSA-N 2 1 234.347 1.081 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000904407674 584879220 /nfs/dbraw/zinc/87/92/20/584879220.db2.gz YOZBBXDLINFRCD-RLAWYHOSSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccn2C2CC2)CC[C@@H]1C[NH3+] ZINC000904409606 584879386 /nfs/dbraw/zinc/87/93/86/584879386.db2.gz DJDKOGFURVXXJU-VXGBXAGGSA-N 2 1 248.374 1.635 20 0 BDADMP c1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420261 584882153 /nfs/dbraw/zinc/88/21/53/584882153.db2.gz IQGHSKWHAYNUHQ-VHSXEESVSA-N 2 1 223.345 1.184 20 0 BDADMP c1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420261 584882154 /nfs/dbraw/zinc/88/21/54/584882154.db2.gz IQGHSKWHAYNUHQ-VHSXEESVSA-N 2 1 223.345 1.184 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838862564 585076038 /nfs/dbraw/zinc/07/60/38/585076038.db2.gz KTBYRPWAGLWNTA-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838862564 585076039 /nfs/dbraw/zinc/07/60/39/585076039.db2.gz KTBYRPWAGLWNTA-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838862564 585076040 /nfs/dbraw/zinc/07/60/40/585076040.db2.gz KTBYRPWAGLWNTA-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)C2CC2)CC1 ZINC000838864392 585076209 /nfs/dbraw/zinc/07/62/09/585076209.db2.gz SZDYPKWXFUUUAR-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746666902 585171903 /nfs/dbraw/zinc/17/19/03/585171903.db2.gz DBRMDECNINLFNQ-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP CC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000746666902 585171904 /nfs/dbraw/zinc/17/19/04/585171904.db2.gz DBRMDECNINLFNQ-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP CC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000746666902 585171905 /nfs/dbraw/zinc/17/19/05/585171905.db2.gz DBRMDECNINLFNQ-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP CC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000746666902 585171906 /nfs/dbraw/zinc/17/19/06/585171906.db2.gz DBRMDECNINLFNQ-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000886872248 585186846 /nfs/dbraw/zinc/18/68/46/585186846.db2.gz NIQXHPXABHPMGR-AWEZNQCLSA-N 2 1 249.358 1.949 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000886872248 585186847 /nfs/dbraw/zinc/18/68/47/585186847.db2.gz NIQXHPXABHPMGR-AWEZNQCLSA-N 2 1 249.358 1.949 20 0 BDADMP FCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749514808 585203474 /nfs/dbraw/zinc/20/34/74/585203474.db2.gz MDBIFSZQNAUKEK-YPMHNXCESA-N 2 1 226.339 1.905 20 0 BDADMP FCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749514808 585203475 /nfs/dbraw/zinc/20/34/75/585203475.db2.gz MDBIFSZQNAUKEK-YPMHNXCESA-N 2 1 226.339 1.905 20 0 BDADMP FCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749514808 585203476 /nfs/dbraw/zinc/20/34/76/585203476.db2.gz MDBIFSZQNAUKEK-YPMHNXCESA-N 2 1 226.339 1.905 20 0 BDADMP FCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749514808 585203477 /nfs/dbraw/zinc/20/34/77/585203477.db2.gz MDBIFSZQNAUKEK-YPMHNXCESA-N 2 1 226.339 1.905 20 0 BDADMP C[N@H+]1CCCC[C@H]1CN1CCN(CCF)CC1 ZINC000759346480 585369969 /nfs/dbraw/zinc/36/99/69/585369969.db2.gz IQMIWAZPCCYIRC-ZDUSSCGKSA-N 2 1 243.370 1.058 20 0 BDADMP C[C@H]1C[C@@H](N(C)CC[NH+]2CCCC2)CC[N@H+]1C ZINC000760842850 585399289 /nfs/dbraw/zinc/39/92/89/585399289.db2.gz KTCZTQBGVMOYCD-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP O=C(CC[N@H+]1CCC[C@@H](n2ccnc2)C1)C1CC1 ZINC000767371368 585518250 /nfs/dbraw/zinc/51/82/50/585518250.db2.gz VVFBIKVBQJBCMP-CYBMUJFWSA-N 2 1 247.342 1.889 20 0 BDADMP C[C@@H]1CC[N@@H+](CCF)C[C@@H]1n1ccnc1 ZINC000767434956 585520169 /nfs/dbraw/zinc/52/01/69/585520169.db2.gz ROPUCCBCFRCIOC-MNOVXSKESA-N 2 1 211.284 1.736 20 0 BDADMP C[C@@H]1CCN(CCF)C[C@@H]1n1ccnc1 ZINC000767434956 585520170 /nfs/dbraw/zinc/52/01/70/585520170.db2.gz ROPUCCBCFRCIOC-MNOVXSKESA-N 2 1 211.284 1.736 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1CCCC1 ZINC000768770513 585543353 /nfs/dbraw/zinc/54/33/53/585543353.db2.gz HNIMBBVEVZZZMV-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000779343405 585752171 /nfs/dbraw/zinc/75/21/71/585752171.db2.gz YBTOYEMPWITPQI-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCO)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000779384791 585752700 /nfs/dbraw/zinc/75/27/00/585752700.db2.gz OBIVGNZGDQXWNW-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H](CCO)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000779384793 585752781 /nfs/dbraw/zinc/75/27/81/585752781.db2.gz OBIVGNZGDQXWNW-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP c1ccc2c(c1)CC[C@@H]2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000780284990 585776798 /nfs/dbraw/zinc/77/67/98/585776798.db2.gz HBAFOMPKTKAWJC-KFWWJZLASA-N 2 1 242.366 1.868 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621521 585823051 /nfs/dbraw/zinc/82/30/51/585823051.db2.gz SQYTWPPSEPWCJY-MCIONIFRSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621521 585823052 /nfs/dbraw/zinc/82/30/52/585823052.db2.gz SQYTWPPSEPWCJY-MCIONIFRSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621521 585823053 /nfs/dbraw/zinc/82/30/53/585823053.db2.gz SQYTWPPSEPWCJY-MCIONIFRSA-N 2 1 238.375 1.175 20 0 BDADMP C[N@@H+]1C[C@H]2CN(C[C@@H]3CC3(Cl)Cl)C[C@H]2C1 ZINC000785935611 585884171 /nfs/dbraw/zinc/88/41/71/585884171.db2.gz JEOZHJHGFKIIID-AEJSXWLSSA-N 2 1 249.185 1.674 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC000785935611 585884172 /nfs/dbraw/zinc/88/41/72/585884172.db2.gz JEOZHJHGFKIIID-AEJSXWLSSA-N 2 1 249.185 1.674 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC000785935611 585884173 /nfs/dbraw/zinc/88/41/73/585884173.db2.gz JEOZHJHGFKIIID-AEJSXWLSSA-N 2 1 249.185 1.674 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC000785935611 585884174 /nfs/dbraw/zinc/88/41/74/585884174.db2.gz JEOZHJHGFKIIID-AEJSXWLSSA-N 2 1 249.185 1.674 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC000785935611 585884175 /nfs/dbraw/zinc/88/41/75/585884175.db2.gz JEOZHJHGFKIIID-AEJSXWLSSA-N 2 1 249.185 1.674 20 0 BDADMP CC[N@@H+]1CCCC[C@@H]1C(=O)OCCC[NH+](C)C ZINC000791932979 585991784 /nfs/dbraw/zinc/99/17/84/585991784.db2.gz ZITFFKLNSCDWLK-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1C(=O)OCCC[NH+](C)C ZINC000791932979 585991785 /nfs/dbraw/zinc/99/17/85/585991785.db2.gz ZITFFKLNSCDWLK-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)n(C)n1 ZINC000793523834 586021520 /nfs/dbraw/zinc/02/15/20/586021520.db2.gz FHFJGQDUQJUWTO-LLVKDONJSA-N 2 1 247.346 1.584 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000798181763 586138765 /nfs/dbraw/zinc/13/87/65/586138765.db2.gz YHTWJCAQFJBMBJ-JQWIXIFHSA-N 2 1 240.347 1.012 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000799308961 586169295 /nfs/dbraw/zinc/16/92/95/586169295.db2.gz HMNYCHOQBYGULE-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000799308961 586169297 /nfs/dbraw/zinc/16/92/97/586169297.db2.gz HMNYCHOQBYGULE-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000799308961 586169299 /nfs/dbraw/zinc/16/92/99/586169299.db2.gz HMNYCHOQBYGULE-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCC=CO1 ZINC000809766380 586518818 /nfs/dbraw/zinc/51/88/18/586518818.db2.gz XHWAHMLBQUSTEE-MCIONIFRSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCC=CO1 ZINC000809766380 586518819 /nfs/dbraw/zinc/51/88/19/586518819.db2.gz XHWAHMLBQUSTEE-MCIONIFRSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1CCC=CO1 ZINC000809766380 586518820 /nfs/dbraw/zinc/51/88/20/586518820.db2.gz XHWAHMLBQUSTEE-MCIONIFRSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1CCC=CO1 ZINC000809766380 586518821 /nfs/dbraw/zinc/51/88/21/586518821.db2.gz XHWAHMLBQUSTEE-MCIONIFRSA-N 2 1 238.375 1.951 20 0 BDADMP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000811811441 586567332 /nfs/dbraw/zinc/56/73/32/586567332.db2.gz BVKJUAUVGGCPCP-ZJUUUORDSA-N 2 1 247.346 1.404 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000817903869 586831199 /nfs/dbraw/zinc/83/11/99/586831199.db2.gz MUPZFLIJOSUCBO-UPJWGTAASA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912362 586831407 /nfs/dbraw/zinc/83/14/07/586831407.db2.gz GJFOLGAYJMAQTG-YNEHKIRRSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C1 ZINC000817888103 586831808 /nfs/dbraw/zinc/83/18/08/586831808.db2.gz APGVWMCURJWDGY-NWANDNLSSA-N 2 1 247.386 1.239 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817893024 586833740 /nfs/dbraw/zinc/83/37/40/586833740.db2.gz BNECAQXPKCMWPX-ILXRZTDVSA-N 2 1 248.370 1.840 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)[nH]n1 ZINC000817894406 586834183 /nfs/dbraw/zinc/83/41/83/586834183.db2.gz YLNHCMCEUBFVGX-MFKMUULPSA-N 2 1 236.363 1.450 20 0 BDADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000817897161 586834921 /nfs/dbraw/zinc/83/49/21/586834921.db2.gz GJTQOTPHOZWMPD-NNYUYHANSA-N 2 1 228.405 1.858 20 0 BDADMP CSC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817897905 586835068 /nfs/dbraw/zinc/83/50/68/586835068.db2.gz APFOJIYTDNICAK-VHSXEESVSA-N 2 1 216.394 1.716 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CSCCS1)[C@@H]1CCC[NH2+]1 ZINC000817898415 586835173 /nfs/dbraw/zinc/83/51/73/586835173.db2.gz HVBHDLSDRBXYDG-MXWKQRLJSA-N 2 1 246.445 1.565 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912783 586837816 /nfs/dbraw/zinc/83/78/16/586837816.db2.gz IONVZQXFYKGTBY-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CCC[C@@H]1C ZINC000817914431 586839120 /nfs/dbraw/zinc/83/91/20/586839120.db2.gz XGAOJDJQCFIIQM-TUAOUCFPSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCC[C@@H]1C ZINC000817914431 586839121 /nfs/dbraw/zinc/83/91/21/586839121.db2.gz XGAOJDJQCFIIQM-TUAOUCFPSA-N 2 1 213.369 1.186 20 0 BDADMP CC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])OCCCO1 ZINC000817926414 586841263 /nfs/dbraw/zinc/84/12/63/586841263.db2.gz IFIGTENZPAYTAA-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1F ZINC000817927246 586841372 /nfs/dbraw/zinc/84/13/72/586841372.db2.gz HYTRSOZHNGIATR-MWLCHTKSSA-N 2 1 223.295 1.438 20 0 BDADMP CCc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817928931 586842463 /nfs/dbraw/zinc/84/24/63/586842463.db2.gz IJZXWWPKRMZZBP-SOUVJXGZSA-N 2 1 248.370 1.752 20 0 BDADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970419 586857273 /nfs/dbraw/zinc/85/72/73/586857273.db2.gz VCPXSWYJLDQQIN-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc2C1 ZINC000817970250 586857335 /nfs/dbraw/zinc/85/73/35/586857335.db2.gz PMPJIUXPFMQXNT-FZMZJTMJSA-N 2 1 218.344 1.871 20 0 BDADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000817971659 586859389 /nfs/dbraw/zinc/85/93/89/586859389.db2.gz OSIXPWZSUNVTBT-GWCFXTLKSA-N 2 1 204.317 1.919 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)C1CC1 ZINC000818965449 586918275 /nfs/dbraw/zinc/91/82/75/586918275.db2.gz IEIFBIRDDCQBOP-ZWNOBZJWSA-N 2 1 237.347 1.188 20 0 BDADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000841007338 587935067 /nfs/dbraw/zinc/93/50/67/587935067.db2.gz PHILTCYFODETEY-CABCVRRESA-N 2 1 248.370 1.923 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCC[NH2+]2)CCO1 ZINC000841032320 587936919 /nfs/dbraw/zinc/93/69/19/587936919.db2.gz CKGNAYPITSMKOK-MGPQQGTHSA-N 2 1 240.391 1.923 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841036703 587938137 /nfs/dbraw/zinc/93/81/37/587938137.db2.gz VWKARXOROYXHMG-VWYCJHECSA-N 2 1 246.445 1.565 20 0 BDADMP CCc1nn(C)c(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000841050721 587939997 /nfs/dbraw/zinc/93/99/97/587939997.db2.gz JXYGANKWHCEXQI-QMMMGPOBSA-N 2 1 244.770 1.463 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCCCCC[NH3+] ZINC000842472205 588028653 /nfs/dbraw/zinc/02/86/53/588028653.db2.gz ASEANPBXYVAOBM-RYUDHWBXSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CCN1CCCCCCC[NH3+] ZINC000842472205 588028655 /nfs/dbraw/zinc/02/86/55/588028655.db2.gz ASEANPBXYVAOBM-RYUDHWBXSA-N 2 1 213.369 1.317 20 0 BDADMP C[C@H]1[C@@H](N)CC[N@@H+]1CCCCCCC[NH3+] ZINC000842472205 588028657 /nfs/dbraw/zinc/02/86/57/588028657.db2.gz ASEANPBXYVAOBM-RYUDHWBXSA-N 2 1 213.369 1.317 20 0 BDADMP C[C@H]1[C@@H](N)CC[N@H+]1CCCCCCC[NH3+] ZINC000842472205 588028659 /nfs/dbraw/zinc/02/86/59/588028659.db2.gz ASEANPBXYVAOBM-RYUDHWBXSA-N 2 1 213.369 1.317 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[N@H+]1C ZINC000843342415 588101348 /nfs/dbraw/zinc/10/13/48/588101348.db2.gz QLAILXKWLCADKH-CHWSQXEVSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CCN1C ZINC000843342415 588101349 /nfs/dbraw/zinc/10/13/49/588101349.db2.gz QLAILXKWLCADKH-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP CCCOC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843348902 588102138 /nfs/dbraw/zinc/10/21/38/588102138.db2.gz XHZHQROGLKMMBN-QWRGUYRKSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@H]1CN(CCCCCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000843352157 588102611 /nfs/dbraw/zinc/10/26/11/588102611.db2.gz RFSFDPBESNEKPD-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP CCCCOC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000843356486 588102981 /nfs/dbraw/zinc/10/29/81/588102981.db2.gz RVKKYUYISFEFSR-CYBMUJFWSA-N 2 1 244.379 1.683 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843353064 588103093 /nfs/dbraw/zinc/10/30/93/588103093.db2.gz APVGWOHUMJFUOL-KBPBESRZSA-N 3 1 241.423 1.955 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843365391 588104320 /nfs/dbraw/zinc/10/43/20/588104320.db2.gz GSCUMRDPJQXNLH-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455370 588196163 /nfs/dbraw/zinc/19/61/63/588196163.db2.gz AEXYVKUFFVFYDQ-GARJFASQSA-N 2 1 230.302 1.668 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455370 588196165 /nfs/dbraw/zinc/19/61/65/588196165.db2.gz AEXYVKUFFVFYDQ-GARJFASQSA-N 2 1 230.302 1.668 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455370 588196167 /nfs/dbraw/zinc/19/61/67/588196167.db2.gz AEXYVKUFFVFYDQ-GARJFASQSA-N 2 1 230.302 1.668 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455370 588196169 /nfs/dbraw/zinc/19/61/69/588196169.db2.gz AEXYVKUFFVFYDQ-GARJFASQSA-N 2 1 230.302 1.668 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000846220726 588260222 /nfs/dbraw/zinc/26/02/22/588260222.db2.gz OESUAGRDWREXLZ-GFCCVEGCSA-N 2 1 237.351 1.044 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC(C)(C)C[NH3+] ZINC000846217166 588260300 /nfs/dbraw/zinc/26/03/00/588260300.db2.gz BOQXNDQIXVXOOH-UHFFFAOYSA-N 2 1 215.385 1.422 20 0 BDADMP C[N@H+](CCCCCC[NH3+])CC(C)(C)CN ZINC000846217166 588260301 /nfs/dbraw/zinc/26/03/01/588260301.db2.gz BOQXNDQIXVXOOH-UHFFFAOYSA-N 2 1 215.385 1.422 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC(C)(C)CN ZINC000846217166 588260302 /nfs/dbraw/zinc/26/03/02/588260302.db2.gz BOQXNDQIXVXOOH-UHFFFAOYSA-N 2 1 215.385 1.422 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846217705 588260359 /nfs/dbraw/zinc/26/03/59/588260359.db2.gz MMLLYFWTFRKPJX-NWDGAFQWSA-N 3 1 213.369 1.175 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCCCC[NH3+] ZINC000846217422 588260400 /nfs/dbraw/zinc/26/04/00/588260400.db2.gz HINBVBVTEICYFR-GFCCVEGCSA-N 3 1 215.385 1.469 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])[C@H]1CN ZINC000846217427 588260509 /nfs/dbraw/zinc/26/05/09/588260509.db2.gz HJKAKZBOKBPDHZ-OLZOCXBDSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@@H]1CCCN(CCCCCC[NH3+])[C@H]1C[NH3+] ZINC000846217427 588260510 /nfs/dbraw/zinc/26/05/10/588260510.db2.gz HJKAKZBOKBPDHZ-OLZOCXBDSA-N 2 1 227.396 1.565 20 0 BDADMP CC[N@@H+](CCCCCC[NH3+])C[C@@H]1CCOC1 ZINC000846217799 588260920 /nfs/dbraw/zinc/26/09/20/588260920.db2.gz BZJUJDUUWLBWOY-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCCCC[NH3+] ZINC000846221163 588261118 /nfs/dbraw/zinc/26/11/18/588261118.db2.gz ULKUPBSCWIYYNL-AGIUHOORSA-N 3 1 227.396 1.482 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000846221164 588261132 /nfs/dbraw/zinc/26/11/32/588261132.db2.gz ULKUPBSCWIYYNL-FRRDWIJNSA-N 3 1 227.396 1.482 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000846220321 588261206 /nfs/dbraw/zinc/26/12/06/588261206.db2.gz FXHXMLHPQNPTIJ-CYBMUJFWSA-N 3 1 227.396 1.709 20 0 BDADMP C[C@H](C[NH2+]Cc1cnc(Cl)n1C)C[NH+](C)C ZINC000848554015 588396271 /nfs/dbraw/zinc/39/62/71/588396271.db2.gz TYJBTBGFATUXOY-SECBINFHSA-N 2 1 244.770 1.361 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987554 588426048 /nfs/dbraw/zinc/42/60/48/588426048.db2.gz GKKNHGXDCNXETH-LLVKDONJSA-N 2 1 228.384 1.629 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000849001602 588430911 /nfs/dbraw/zinc/43/09/11/588430911.db2.gz HRIJNOJJMROISW-NXEZZACHSA-N 2 1 226.368 1.382 20 0 BDADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849004714 588432105 /nfs/dbraw/zinc/43/21/05/588432105.db2.gz WYTMEWWWUMOPIJ-SNVBAGLBSA-N 2 1 226.368 1.241 20 0 BDADMP CN(C)C(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000849023068 588439465 /nfs/dbraw/zinc/43/94/65/588439465.db2.gz IYXYQEGHUYQTMK-LLVKDONJSA-N 2 1 224.352 1.089 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000849027883 588441277 /nfs/dbraw/zinc/44/12/77/588441277.db2.gz OEAJITVUUHPNLM-LBPRGKRZSA-N 2 1 238.379 1.479 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNC1=[NH+]CCCCN1 ZINC000849215598 588462314 /nfs/dbraw/zinc/46/23/14/588462314.db2.gz SGPJRPPJQLQNGC-LBPRGKRZSA-N 2 1 238.379 1.190 20 0 BDADMP CCN1CCC([N@@H+](C)CCOC(F)F)CC1 ZINC000851796485 588629841 /nfs/dbraw/zinc/62/98/41/588629841.db2.gz GBSTZPJGHHCMOR-UHFFFAOYSA-N 2 1 236.306 1.642 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCOC(F)F)CC1 ZINC000851796485 588629843 /nfs/dbraw/zinc/62/98/43/588629843.db2.gz GBSTZPJGHHCMOR-UHFFFAOYSA-N 2 1 236.306 1.642 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC12CCC2 ZINC000851990827 588653210 /nfs/dbraw/zinc/65/32/10/588653210.db2.gz XFBQWPYQXVXVFL-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC12CCC2 ZINC000851990827 588653211 /nfs/dbraw/zinc/65/32/11/588653211.db2.gz XFBQWPYQXVXVFL-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC12CCC2 ZINC000851990827 588653212 /nfs/dbraw/zinc/65/32/12/588653212.db2.gz XFBQWPYQXVXVFL-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000852078132 588660471 /nfs/dbraw/zinc/66/04/71/588660471.db2.gz LQKQNECAQWRPLV-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000852078132 588660472 /nfs/dbraw/zinc/66/04/72/588660472.db2.gz LQKQNECAQWRPLV-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000852078132 588660473 /nfs/dbraw/zinc/66/04/73/588660473.db2.gz LQKQNECAQWRPLV-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOC(F)F)C2)C1 ZINC000852092178 588661385 /nfs/dbraw/zinc/66/13/85/588661385.db2.gz QGMGZKQYFVXJCT-GFCCVEGCSA-N 2 1 248.317 1.643 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOC(F)F)C2)C1 ZINC000852092178 588661386 /nfs/dbraw/zinc/66/13/86/588661386.db2.gz QGMGZKQYFVXJCT-GFCCVEGCSA-N 2 1 248.317 1.643 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOC(F)F)C2)C1 ZINC000852092178 588661387 /nfs/dbraw/zinc/66/13/87/588661387.db2.gz QGMGZKQYFVXJCT-GFCCVEGCSA-N 2 1 248.317 1.643 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOC(F)F)C2)C1 ZINC000852092178 588661388 /nfs/dbraw/zinc/66/13/88/588661388.db2.gz QGMGZKQYFVXJCT-GFCCVEGCSA-N 2 1 248.317 1.643 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852741583 588698471 /nfs/dbraw/zinc/69/84/71/588698471.db2.gz WDYDVPWJNBUOQD-BDAKNGLRSA-N 2 1 222.279 1.285 20 0 BDADMP CC[C@H]1C[N@H+](CCOC(F)F)CC[C@H]1[NH3+] ZINC000852748222 588699346 /nfs/dbraw/zinc/69/93/46/588699346.db2.gz NJKJVTCPVYOYBQ-DTWKUNHWSA-N 2 1 222.279 1.285 20 0 BDADMP CC[C@H]1C[N@@H+](CCOC(F)F)CC[C@H]1[NH3+] ZINC000852748222 588699347 /nfs/dbraw/zinc/69/93/47/588699347.db2.gz NJKJVTCPVYOYBQ-DTWKUNHWSA-N 2 1 222.279 1.285 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOC(F)F)C[C@@H]1C[NH3+] ZINC000852750913 588700227 /nfs/dbraw/zinc/70/02/27/588700227.db2.gz JAZPRVRTOJIODW-BDAKNGLRSA-N 2 1 222.279 1.142 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000852750174 588700258 /nfs/dbraw/zinc/70/02/58/588700258.db2.gz XJDCTDSLOYMHNQ-QWRGUYRKSA-N 2 1 248.317 1.547 20 0 BDADMP CN(Cc1cnc[nH]1)C(=O)CCCCCC[NH3+] ZINC000852837542 588707271 /nfs/dbraw/zinc/70/72/71/588707271.db2.gz XMMZOAUVXCIJFU-UHFFFAOYSA-N 2 1 238.335 1.277 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000863539546 589296791 /nfs/dbraw/zinc/29/67/91/589296791.db2.gz DZXXVLIUFHQNGS-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCOCC3)C[NH2+]1 ZINC000863548501 589298439 /nfs/dbraw/zinc/29/84/39/589298439.db2.gz YIICMUKXWPJZTG-FRRDWIJNSA-N 2 1 238.375 1.676 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000863556262 589298831 /nfs/dbraw/zinc/29/88/31/589298831.db2.gz CBBWMXDHKYNAMX-TXEJJXNPSA-N 2 1 241.379 1.091 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000864458393 589367977 /nfs/dbraw/zinc/36/79/77/589367977.db2.gz ZYRPQKWZWKRSFU-SECBINFHSA-N 2 1 214.357 1.239 20 0 BDADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864460748 589368938 /nfs/dbraw/zinc/36/89/38/589368938.db2.gz JLTSQXMXHUNLFV-CMPLNLGQSA-N 2 1 249.362 1.494 20 0 BDADMP [NH2+]=C(NCCC1CC1)NCC[N@H+]1CC=CCC1 ZINC000864465320 589370518 /nfs/dbraw/zinc/37/05/18/589370518.db2.gz TXFMZBWXKPGJLC-UHFFFAOYSA-N 2 1 236.363 1.162 20 0 BDADMP [NH2+]=C(NCCC1CC1)NCC[N@@H+]1CC=CCC1 ZINC000864465320 589370519 /nfs/dbraw/zinc/37/05/19/589370519.db2.gz TXFMZBWXKPGJLC-UHFFFAOYSA-N 2 1 236.363 1.162 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000866660018 589508316 /nfs/dbraw/zinc/50/83/16/589508316.db2.gz AOTRWORYKVBFQC-ZFDZMSFRSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H]1C[C@H](N)C[N@@H+]1CCC1SCCS1 ZINC000866681695 589511196 /nfs/dbraw/zinc/51/11/96/589511196.db2.gz BAENJWUGIOVOJL-IUCAKERBSA-N 2 1 232.418 1.604 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC1SCCS1 ZINC000866681695 589511200 /nfs/dbraw/zinc/51/12/00/589511200.db2.gz BAENJWUGIOVOJL-IUCAKERBSA-N 2 1 232.418 1.604 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC1SCCS1 ZINC000866681695 589511201 /nfs/dbraw/zinc/51/12/01/589511201.db2.gz BAENJWUGIOVOJL-IUCAKERBSA-N 2 1 232.418 1.604 20 0 BDADMP Nc1ccc2c(c1)OCC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000866689181 589512319 /nfs/dbraw/zinc/51/23/19/589512319.db2.gz FZIQDPAZLGPMGV-NSHDSACASA-N 2 1 247.342 1.073 20 0 BDADMP Nc1ccc2c(c1)OCC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000866689181 589512321 /nfs/dbraw/zinc/51/23/21/589512321.db2.gz FZIQDPAZLGPMGV-NSHDSACASA-N 2 1 247.342 1.073 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697755 589512782 /nfs/dbraw/zinc/51/27/82/589512782.db2.gz XXBLKELUOLBVLO-ZDUSSCGKSA-N 2 1 226.364 1.759 20 0 BDADMP CC(C)OC(=O)CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866699989 589513129 /nfs/dbraw/zinc/51/31/29/589513129.db2.gz YDTTWIPJUZAINX-UHFFFAOYSA-N 2 1 242.363 1.402 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000866699989 589513131 /nfs/dbraw/zinc/51/31/31/589513131.db2.gz YDTTWIPJUZAINX-UHFFFAOYSA-N 2 1 242.363 1.402 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000866702850 589513591 /nfs/dbraw/zinc/51/35/91/589513591.db2.gz CCBWDFKHMXSPCN-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@](C)(C[NH3+])C2CC2)C1 ZINC000872141477 589878472 /nfs/dbraw/zinc/87/84/72/589878472.db2.gz IMARZAIOAVBUQG-WCQGTBRESA-N 2 1 212.337 1.128 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000872141320 589881558 /nfs/dbraw/zinc/88/15/58/589881558.db2.gz FGNXFJAEWQQCEX-AGIUHOORSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872144443 589884523 /nfs/dbraw/zinc/88/45/23/589884523.db2.gz ZBOHKZGUIPWBBQ-XQQFMLRXSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000872146415 589885160 /nfs/dbraw/zinc/88/51/60/589885160.db2.gz NBZSYFJHDAKKJB-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000872146415 589885161 /nfs/dbraw/zinc/88/51/61/589885161.db2.gz NBZSYFJHDAKKJB-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP CCOC(C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OCC ZINC000124300967 589973996 /nfs/dbraw/zinc/97/39/96/589973996.db2.gz RJPBAHQOYRCMPZ-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP CCOC(C[N@H+]1CC[C@@H](C[NH+](C)C)C1)OCC ZINC000124300967 589973999 /nfs/dbraw/zinc/97/39/99/589973999.db2.gz RJPBAHQOYRCMPZ-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000873200542 589992750 /nfs/dbraw/zinc/99/27/50/589992750.db2.gz CDEZBLIDLGKVLV-HIFPTAJRSA-N 3 1 227.396 1.419 20 0 BDADMP CC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000873227666 590000375 /nfs/dbraw/zinc/00/03/75/590000375.db2.gz MLNIYRSRUDPOMP-ZDUSSCGKSA-N 2 1 224.348 1.287 20 0 BDADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000873250577 590008403 /nfs/dbraw/zinc/00/84/03/590008403.db2.gz RSKUJABWEGXMSN-CEUNDQEZSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000020205684 590084915 /nfs/dbraw/zinc/08/49/15/590084915.db2.gz OJMJQMCWGQMBJD-ZYHUDNBSSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccco2)CC[N@@H+]1C ZINC000125121346 590125014 /nfs/dbraw/zinc/12/50/14/590125014.db2.gz IEEGFGISUBDMLM-WOPDTQHZSA-N 2 1 238.331 1.385 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccco2)CC[N@H+]1C ZINC000125121346 590125016 /nfs/dbraw/zinc/12/50/16/590125016.db2.gz IEEGFGISUBDMLM-WOPDTQHZSA-N 2 1 238.331 1.385 20 0 BDADMP CCC[N@@H+](C)CC(=O)N(C)CCCCCC[NH3+] ZINC000877438402 590328294 /nfs/dbraw/zinc/32/82/94/590328294.db2.gz NZDAPFFYCUKDTQ-UHFFFAOYSA-N 2 1 243.395 1.306 20 0 BDADMP COCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877664666 590388225 /nfs/dbraw/zinc/38/82/25/590388225.db2.gz SWXUKKQOSHGYGZ-UHFFFAOYSA-N 2 1 242.407 1.933 20 0 BDADMP COC(=O)C1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000877724291 590402616 /nfs/dbraw/zinc/40/26/16/590402616.db2.gz VPZIVCVTHGFNGK-VOBJUBJWSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)C1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000877724291 590402613 /nfs/dbraw/zinc/40/26/13/590402613.db2.gz VPZIVCVTHGFNGK-VOBJUBJWSA-N 2 1 240.347 1.010 20 0 BDADMP CC(C)=CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743887 590403703 /nfs/dbraw/zinc/40/37/03/590403703.db2.gz YUZCOTBWIPSXLR-STQMWFEESA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743887 590403704 /nfs/dbraw/zinc/40/37/04/590403704.db2.gz YUZCOTBWIPSXLR-STQMWFEESA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743887 590403705 /nfs/dbraw/zinc/40/37/05/590403705.db2.gz YUZCOTBWIPSXLR-STQMWFEESA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743887 590403706 /nfs/dbraw/zinc/40/37/06/590403706.db2.gz YUZCOTBWIPSXLR-STQMWFEESA-N 2 1 208.349 1.979 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(=O)[nH]c3)CC[C@@H]21 ZINC000877739451 590407061 /nfs/dbraw/zinc/40/70/61/590407061.db2.gz GCSHGMQYMVLMHO-STQMWFEESA-N 2 1 247.342 1.313 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(=O)[nH]c3)CC[C@@H]21 ZINC000877739451 590407063 /nfs/dbraw/zinc/40/70/63/590407063.db2.gz GCSHGMQYMVLMHO-STQMWFEESA-N 2 1 247.342 1.313 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(=O)[nH]c3)CC[C@@H]21 ZINC000877739451 590407066 /nfs/dbraw/zinc/40/70/66/590407066.db2.gz GCSHGMQYMVLMHO-STQMWFEESA-N 2 1 247.342 1.313 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)CC[C@@H]21 ZINC000877739451 590407068 /nfs/dbraw/zinc/40/70/68/590407068.db2.gz GCSHGMQYMVLMHO-STQMWFEESA-N 2 1 247.342 1.313 20 0 BDADMP CSC1(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000877743773 590410712 /nfs/dbraw/zinc/41/07/12/590410712.db2.gz YFZVQLQDOCXVJR-VXGBXAGGSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000877743773 590410713 /nfs/dbraw/zinc/41/07/13/590410713.db2.gz YFZVQLQDOCXVJR-VXGBXAGGSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000877743773 590410714 /nfs/dbraw/zinc/41/07/14/590410714.db2.gz YFZVQLQDOCXVJR-VXGBXAGGSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000877743773 590410715 /nfs/dbraw/zinc/41/07/15/590410715.db2.gz YFZVQLQDOCXVJR-VXGBXAGGSA-N 2 1 240.416 1.908 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877743482 590411222 /nfs/dbraw/zinc/41/12/22/590411222.db2.gz WGQPEGDZYBIFOT-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000877743482 590411225 /nfs/dbraw/zinc/41/12/25/590411225.db2.gz WGQPEGDZYBIFOT-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000877743482 590411228 /nfs/dbraw/zinc/41/12/28/590411228.db2.gz WGQPEGDZYBIFOT-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+](CCc1cnccn1)CC1CC[NH+](C)CC1 ZINC000878099679 590494139 /nfs/dbraw/zinc/49/41/39/590494139.db2.gz ZOWPNGUXRMQWBO-UHFFFAOYSA-N 2 1 248.374 1.293 20 0 BDADMP CCOCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573625 590808343 /nfs/dbraw/zinc/80/83/43/590808343.db2.gz ZUJNZIZAEMVUJO-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573625 590808336 /nfs/dbraw/zinc/80/83/36/590808336.db2.gz ZUJNZIZAEMVUJO-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573625 590808340 /nfs/dbraw/zinc/80/83/40/590808340.db2.gz ZUJNZIZAEMVUJO-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573625 590808346 /nfs/dbraw/zinc/80/83/46/590808346.db2.gz ZUJNZIZAEMVUJO-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572771 590809905 /nfs/dbraw/zinc/80/99/05/590809905.db2.gz ZZUFRIVTQHJZIO-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572771 590809907 /nfs/dbraw/zinc/80/99/07/590809907.db2.gz ZZUFRIVTQHJZIO-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572771 590809910 /nfs/dbraw/zinc/80/99/10/590809910.db2.gz ZZUFRIVTQHJZIO-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572771 590809911 /nfs/dbraw/zinc/80/99/11/590809911.db2.gz ZZUFRIVTQHJZIO-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571790 590809999 /nfs/dbraw/zinc/80/99/99/590809999.db2.gz CCOHGODYLZOPPE-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571790 590810002 /nfs/dbraw/zinc/81/00/02/590810002.db2.gz CCOHGODYLZOPPE-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571790 590810005 /nfs/dbraw/zinc/81/00/05/590810005.db2.gz CCOHGODYLZOPPE-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571790 590810007 /nfs/dbraw/zinc/81/00/07/590810007.db2.gz CCOHGODYLZOPPE-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CSCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571497 590810800 /nfs/dbraw/zinc/81/08/00/590810800.db2.gz AQWYGJQKVLUGSV-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571497 590810801 /nfs/dbraw/zinc/81/08/01/590810801.db2.gz AQWYGJQKVLUGSV-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879571497 590810802 /nfs/dbraw/zinc/81/08/02/590810802.db2.gz AQWYGJQKVLUGSV-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571497 590810803 /nfs/dbraw/zinc/81/08/03/590810803.db2.gz AQWYGJQKVLUGSV-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCOC3CCC3)CC[C@@H]21 ZINC000879580566 590822735 /nfs/dbraw/zinc/82/27/35/590822735.db2.gz UDYOADYKAUHKCA-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCOC3CCC3)CC[C@@H]21 ZINC000879580566 590822737 /nfs/dbraw/zinc/82/27/37/590822737.db2.gz UDYOADYKAUHKCA-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCOC3CCC3)CC[C@@H]21 ZINC000879580566 590822741 /nfs/dbraw/zinc/82/27/41/590822741.db2.gz UDYOADYKAUHKCA-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCOC3CCC3)CC[C@@H]21 ZINC000879580566 590822743 /nfs/dbraw/zinc/82/27/43/590822743.db2.gz UDYOADYKAUHKCA-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP COCC1([N@@H+](C)CC[C@H]2CCC[NH+]2C)CCC1 ZINC000880186094 590953501 /nfs/dbraw/zinc/95/35/01/590953501.db2.gz PREUDFQMEAJOSP-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP COCC1([NH+](C)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC000880186094 590953503 /nfs/dbraw/zinc/95/35/03/590953503.db2.gz PREUDFQMEAJOSP-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP COCC1([NH+](C)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC000880186094 590953504 /nfs/dbraw/zinc/95/35/04/590953504.db2.gz PREUDFQMEAJOSP-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CCOCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260082 590980055 /nfs/dbraw/zinc/98/00/55/590980055.db2.gz NCXQHPIAIAJABS-CYBMUJFWSA-N 2 1 249.358 1.629 20 0 BDADMP CS[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000128420589 591038183 /nfs/dbraw/zinc/03/81/83/591038183.db2.gz ILLGDHKFVCAYIX-NEPJUHHUSA-N 2 1 228.405 1.954 20 0 BDADMP CS[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000128420788 591038491 /nfs/dbraw/zinc/03/84/91/591038491.db2.gz ILLGDHKFVCAYIX-RYUDHWBXSA-N 2 1 228.405 1.954 20 0 BDADMP CCOCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472175 591051323 /nfs/dbraw/zinc/05/13/23/591051323.db2.gz FVNWEHDCLLYUID-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000129849435 591415278 /nfs/dbraw/zinc/41/52/78/591415278.db2.gz AHYFMDAPDOFNMT-CYBMUJFWSA-N 3 1 239.407 1.591 20 0 BDADMP CCN1CC[C@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000883354095 591624627 /nfs/dbraw/zinc/62/46/27/591624627.db2.gz KOZOXNPXFWJGDI-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C=C/C=C/CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433832 591664007 /nfs/dbraw/zinc/66/40/07/591664007.db2.gz ZXWCKKWWQFIVJL-ITDFMYJTSA-N 2 1 206.333 1.947 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433832 591664009 /nfs/dbraw/zinc/66/40/09/591664009.db2.gz ZXWCKKWWQFIVJL-ITDFMYJTSA-N 2 1 206.333 1.947 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000883442347 591669661 /nfs/dbraw/zinc/66/96/61/591669661.db2.gz JOJCIDQTLQMDPK-UWVGGRQHSA-N 2 1 239.750 1.950 20 0 BDADMP C[N@@H+](CCOC(F)F)C1(C[NH3+])CCCCC1 ZINC000883455163 591672137 /nfs/dbraw/zinc/67/21/37/591672137.db2.gz VNBFILOCIODCCL-UHFFFAOYSA-N 2 1 236.306 1.819 20 0 BDADMP C[N@H+](CCOC(F)F)C1(C[NH3+])CCCCC1 ZINC000883455163 591672135 /nfs/dbraw/zinc/67/21/35/591672135.db2.gz VNBFILOCIODCCL-UHFFFAOYSA-N 2 1 236.306 1.819 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C1(CN)CCCCC1 ZINC000883452874 591673094 /nfs/dbraw/zinc/67/30/94/591673094.db2.gz HRVWHJFWMMJDIO-UHFFFAOYSA-N 2 1 239.407 1.579 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459929 591674463 /nfs/dbraw/zinc/67/44/63/591674463.db2.gz KZOHZVDCTFJUKY-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CCCNc1cc(NCC[N@H+](C)C2CC2)nc[nH+]1 ZINC000133066469 591761430 /nfs/dbraw/zinc/76/14/30/591761430.db2.gz MUKLSYLUYDBBRZ-UHFFFAOYSA-N 2 1 249.362 1.805 20 0 BDADMP CCCNc1cc(NCC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000133066469 591761433 /nfs/dbraw/zinc/76/14/33/591761433.db2.gz MUKLSYLUYDBBRZ-UHFFFAOYSA-N 2 1 249.362 1.805 20 0 BDADMP COC(=O)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C(C)C ZINC000220374074 592308598 /nfs/dbraw/zinc/30/85/98/592308598.db2.gz AUGNRNKPIVKBJK-LBPRGKRZSA-N 2 1 242.363 1.260 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886829432 592351794 /nfs/dbraw/zinc/35/17/94/592351794.db2.gz AFQLXNVJEGFUBQ-MQYQWHSLSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886829432 592351801 /nfs/dbraw/zinc/35/18/01/592351801.db2.gz AFQLXNVJEGFUBQ-MQYQWHSLSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832967 592356684 /nfs/dbraw/zinc/35/66/84/592356684.db2.gz QRANYWUFSKQWBS-MELADBBJSA-N 2 1 236.359 1.098 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000886841607 592362127 /nfs/dbraw/zinc/36/21/27/592362127.db2.gz QSLLRKGFQZFXGI-XUXIUFHCSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000886841607 592362130 /nfs/dbraw/zinc/36/21/30/592362130.db2.gz QSLLRKGFQZFXGI-XUXIUFHCSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000886841606 592364144 /nfs/dbraw/zinc/36/41/44/592364144.db2.gz QSLLRKGFQZFXGI-XDQVBPFNSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000886841606 592364150 /nfs/dbraw/zinc/36/41/50/592364150.db2.gz QSLLRKGFQZFXGI-XDQVBPFNSA-N 2 1 236.359 1.239 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134460 592449541 /nfs/dbraw/zinc/44/95/41/592449541.db2.gz KAXHYOGAJARLKV-OLZOCXBDSA-N 2 1 249.358 1.627 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCC(F)F ZINC000887354106 592487215 /nfs/dbraw/zinc/48/72/15/592487215.db2.gz PZRGBCIBUPFFGY-VIFPVBQESA-N 2 1 248.321 1.240 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887354217 592487317 /nfs/dbraw/zinc/48/73/17/592487317.db2.gz VEZIPJKHZDVKLD-UHFFFAOYSA-N 2 1 226.368 1.242 20 0 BDADMP [NH3+]CC1(CCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925704618 634384586 /nfs/dbraw/zinc/38/45/86/634384586.db2.gz ZCLKFUVAWZDMTR-GFCCVEGCSA-N 2 1 237.391 1.380 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925707302 634393808 /nfs/dbraw/zinc/39/38/08/634393808.db2.gz OZMXXGYNYXGRFR-VXGBXAGGSA-N 2 1 238.375 1.509 20 0 BDADMP C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925714160 634420731 /nfs/dbraw/zinc/42/07/31/634420731.db2.gz WBPOPHQYFSUTMI-HBNTYKKESA-N 2 1 226.389 1.755 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OCC ZINC000925721270 634460620 /nfs/dbraw/zinc/46/06/20/634460620.db2.gz BRGVGTIJGZFIBL-NEPJUHHUSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000257695551 634467390 /nfs/dbraw/zinc/46/73/90/634467390.db2.gz KCQAURRHXLWITB-NEPJUHHUSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000253179354 634516163 /nfs/dbraw/zinc/51/61/63/634516163.db2.gz CUAWNJXQLKRCRC-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)C1CC[NH2+]CC1 ZINC000925728252 634527286 /nfs/dbraw/zinc/52/72/86/634527286.db2.gz KFAALEJMKGBONB-KGYLQXTDSA-N 2 1 237.391 1.234 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)C1CC[NH2+]CC1 ZINC000925728249 634528086 /nfs/dbraw/zinc/52/80/86/634528086.db2.gz KFAALEJMKGBONB-CYZMBNFOSA-N 2 1 237.391 1.234 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CC[NH2+]CC1 ZINC000925728436 634529751 /nfs/dbraw/zinc/52/97/51/634529751.db2.gz VDQBRIGLPZNCIK-NTZNESFSSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccn(C)n1 ZINC000925739555 634598869 /nfs/dbraw/zinc/59/88/69/634598869.db2.gz YSFNRCMBCCDPNE-SECBINFHSA-N 2 1 210.325 1.198 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCCC(C)(C)[NH3+] ZINC000925741765 634604147 /nfs/dbraw/zinc/60/41/47/634604147.db2.gz MSNSRLGDPNVNMD-JQWIXIFHSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925741765 634604151 /nfs/dbraw/zinc/60/41/51/634604151.db2.gz MSNSRLGDPNVNMD-JQWIXIFHSA-N 2 1 225.380 1.186 20 0 BDADMP c1ccc([C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)nc1 ZINC000925822665 635405144 /nfs/dbraw/zinc/40/51/44/635405144.db2.gz NWWQNDQHAWGEEA-CQSZACIVSA-N 2 1 231.343 1.874 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000036231120 635554116 /nfs/dbraw/zinc/55/41/16/635554116.db2.gz SIKLNFQMZFYTHT-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925860447 635554136 /nfs/dbraw/zinc/55/41/36/635554136.db2.gz YRVWZPCCCXBBHW-RYUDHWBXSA-N 2 1 226.364 1.412 20 0 BDADMP CCC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000891438364 631261383 /nfs/dbraw/zinc/26/13/83/631261383.db2.gz LHPYKHDFHMCMBH-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC3=CCCC3)C[C@]2(C)C1 ZINC000933734393 631495456 /nfs/dbraw/zinc/49/54/56/631495456.db2.gz RWRTWBMVJPVQQI-KGLIPLIRSA-N 2 1 220.360 1.980 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3=CCCC3)C[C@]2(C)C1 ZINC000933734393 631495459 /nfs/dbraw/zinc/49/54/59/631495459.db2.gz RWRTWBMVJPVQQI-KGLIPLIRSA-N 2 1 220.360 1.980 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3=CCCC3)C[C@]2(C)C1 ZINC000933734393 631495469 /nfs/dbraw/zinc/49/54/69/631495469.db2.gz RWRTWBMVJPVQQI-KGLIPLIRSA-N 2 1 220.360 1.980 20 0 BDADMP CC[N@@H+](CCc1ccccn1)CC1CC[NH2+]CC1 ZINC000094024919 631573401 /nfs/dbraw/zinc/57/34/01/631573401.db2.gz SDAQKMGBJFUNIC-UHFFFAOYSA-N 2 1 247.386 1.946 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1C ZINC000309046498 631823258 /nfs/dbraw/zinc/82/32/58/631823258.db2.gz OZHSLILVBNRUOB-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C ZINC000309046498 631823261 /nfs/dbraw/zinc/82/32/61/631823261.db2.gz OZHSLILVBNRUOB-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309056631 631832165 /nfs/dbraw/zinc/83/21/65/631832165.db2.gz RTBGNVBDZOTMCT-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC(C)(C)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308868034 632013423 /nfs/dbraw/zinc/01/34/23/632013423.db2.gz RHUPHDGJCUOHRO-NWDGAFQWSA-N 2 1 210.365 1.964 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000075072496 632029350 /nfs/dbraw/zinc/02/93/50/632029350.db2.gz ZMCCKFZJXHOBND-CYBMUJFWSA-N 2 1 234.343 1.866 20 0 BDADMP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000052043293 632054816 /nfs/dbraw/zinc/05/48/16/632054816.db2.gz RWXOFYMCBVZREJ-GFCCVEGCSA-N 2 1 240.395 1.487 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCO ZINC000308927498 632470263 /nfs/dbraw/zinc/47/02/63/632470263.db2.gz INMFQEUGEJQAMW-RYUDHWBXSA-N 2 1 216.369 1.467 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCO ZINC000308927498 632470264 /nfs/dbraw/zinc/47/02/64/632470264.db2.gz INMFQEUGEJQAMW-RYUDHWBXSA-N 2 1 216.369 1.467 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)C1CCC1 ZINC000926552955 632490566 /nfs/dbraw/zinc/49/05/66/632490566.db2.gz PUAZNIPYGUKWEZ-WJLOJVBCSA-N 2 1 238.375 1.077 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056714 632631869 /nfs/dbraw/zinc/63/18/69/632631869.db2.gz ZMYCQXJMJYRZQZ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[N@@H+]1C ZINC000169001738 633152112 /nfs/dbraw/zinc/15/21/12/633152112.db2.gz LOXHLQDBYPGXPG-OLZOCXBDSA-N 2 1 249.358 1.533 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[N@H+]1C ZINC000169001738 633152117 /nfs/dbraw/zinc/15/21/17/633152117.db2.gz LOXHLQDBYPGXPG-OLZOCXBDSA-N 2 1 249.358 1.533 20 0 BDADMP Cl/C=C\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308407046 633238664 /nfs/dbraw/zinc/23/86/64/633238664.db2.gz MNNJPZHGFUAFRZ-RAXOUOPOSA-N 2 1 200.713 1.423 20 0 BDADMP Cl/C=C\C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308407046 633238674 /nfs/dbraw/zinc/23/86/74/633238674.db2.gz MNNJPZHGFUAFRZ-RAXOUOPOSA-N 2 1 200.713 1.423 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cnn2c1CCC2)[NH+](C)C ZINC000895291911 636131235 /nfs/dbraw/zinc/13/12/35/636131235.db2.gz JUGRSKQOWXMEIZ-NSHDSACASA-N 2 1 236.363 1.259 20 0 BDADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000309271447 633878213 /nfs/dbraw/zinc/87/82/13/633878213.db2.gz DDTNKMUNOUFPNV-PSEXLTFBSA-N 2 1 226.364 1.626 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000309953707 633976416 /nfs/dbraw/zinc/97/64/16/633976416.db2.gz HHRUOYVZBOIBPN-RYUDHWBXSA-N 2 1 222.336 1.372 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000309955500 633978065 /nfs/dbraw/zinc/97/80/65/633978065.db2.gz IBIHXAOATKLVJS-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925606477 634133899 /nfs/dbraw/zinc/13/38/99/634133899.db2.gz WLKQPLYZBDFJMF-CRWXNKLISA-N 2 1 240.391 1.778 20 0 BDADMP CC(C)(CO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925614196 634156060 /nfs/dbraw/zinc/15/60/60/634156060.db2.gz BQOSKQWCSGGBLG-LLVKDONJSA-N 2 1 226.364 1.269 20 0 BDADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000925614241 634156510 /nfs/dbraw/zinc/15/65/10/634156510.db2.gz HIOGDLUFKQEXDU-YPMHNXCESA-N 2 1 246.358 1.141 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925648447 634203875 /nfs/dbraw/zinc/20/38/75/634203875.db2.gz BQIVEGVMYHINPR-GFCCVEGCSA-N 2 1 240.391 1.802 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000193951605 634300607 /nfs/dbraw/zinc/30/06/07/634300607.db2.gz MEXJAPOOADEFHW-STQMWFEESA-N 2 1 224.348 1.563 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689826 634308136 /nfs/dbraw/zinc/30/81/36/634308136.db2.gz IRYXEAGHNHUVOD-NWDGAFQWSA-N 3 1 227.396 1.482 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CS1 ZINC000925693473 634324153 /nfs/dbraw/zinc/32/41/53/634324153.db2.gz CRKXPFHJMJUUGU-OPRDCNLKSA-N 2 1 214.378 1.611 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000925692613 634324209 /nfs/dbraw/zinc/32/42/09/634324209.db2.gz OJFQLMRZNRDAKI-SWLSCSKDSA-N 3 1 247.386 1.664 20 0 BDADMP C[C@H]([NH3+])[C@@H](NCC1CC[NH2+]CC1)c1ccccc1 ZINC000925692613 634324214 /nfs/dbraw/zinc/32/42/14/634324214.db2.gz OJFQLMRZNRDAKI-SWLSCSKDSA-N 2 1 247.386 1.664 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CS1 ZINC000925693471 634325981 /nfs/dbraw/zinc/32/59/81/634325981.db2.gz CRKXPFHJMJUUGU-BBBLOLIVSA-N 2 1 214.378 1.611 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925695724 634348860 /nfs/dbraw/zinc/34/88/60/634348860.db2.gz WFJFKOVHDYMBSL-YNEHKIRRSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925698137 634362762 /nfs/dbraw/zinc/36/27/62/634362762.db2.gz CFIAJVIQEIOQRL-NNYUYHANSA-N 2 1 212.337 1.128 20 0 BDADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000925700363 634368965 /nfs/dbraw/zinc/36/89/65/634368965.db2.gz SIYGGLDMNWIWJW-DGAVXFQQSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1C[C@@H](NCc2cc(N)cc[nH+]2)C[N@H+]1C1CC1 ZINC000925771497 635207787 /nfs/dbraw/zinc/20/77/87/635207787.db2.gz MHQIZXUPNHNXNJ-ZWNOBZJWSA-N 2 1 246.358 1.379 20 0 BDADMP CN(C[C@H]1CCC[NH2+]1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258946363 635228817 /nfs/dbraw/zinc/22/88/17/635228817.db2.gz QXHRIGNZUXSLOZ-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP Cc1cc(N)nc(NCC[N@H+]2CC=CCC2)[nH+]1 ZINC000893611728 635252281 /nfs/dbraw/zinc/25/22/81/635252281.db2.gz JWJZFZZDLCIBJA-UHFFFAOYSA-N 2 1 233.319 1.041 20 0 BDADMP Cc1cc(N)nc(NCC[N@@H+]2CC=CCC2)[nH+]1 ZINC000893611728 635252287 /nfs/dbraw/zinc/25/22/87/635252287.db2.gz JWJZFZZDLCIBJA-UHFFFAOYSA-N 2 1 233.319 1.041 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000259244508 635258892 /nfs/dbraw/zinc/25/88/92/635258892.db2.gz ZKZOUQUCNVCBOV-UHFFFAOYSA-N 2 1 210.708 1.921 20 0 BDADMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCCCCC[NH3+] ZINC000310182599 635331596 /nfs/dbraw/zinc/33/15/96/635331596.db2.gz WSLNZONMQZWKOC-NWDGAFQWSA-N 2 1 241.379 1.091 20 0 BDADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000260456046 635333932 /nfs/dbraw/zinc/33/39/32/635333932.db2.gz INTIUZQSVOOGHS-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798126 635336733 /nfs/dbraw/zinc/33/67/33/635336733.db2.gz PYOAZHJPYIIGNG-JFGNBEQYSA-N 2 1 236.363 1.614 20 0 BDADMP COC[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925873242 635589888 /nfs/dbraw/zinc/58/98/88/635589888.db2.gz HCOHFEBECYKEKM-AVGNSLFASA-N 2 1 228.380 1.635 20 0 BDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCCC1 ZINC000237961682 635620124 /nfs/dbraw/zinc/62/01/24/635620124.db2.gz TVRNGQYGFZXVHA-AWEZNQCLSA-N 2 1 240.391 1.756 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925145733 636298280 /nfs/dbraw/zinc/29/82/80/636298280.db2.gz YLAZZBLNTNRDKJ-ZUWCUPBKSA-N 2 1 240.391 1.730 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925145733 636298285 /nfs/dbraw/zinc/29/82/85/636298285.db2.gz YLAZZBLNTNRDKJ-ZUWCUPBKSA-N 2 1 240.391 1.730 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC23CCOCC3)C[NH2+]1 ZINC000863548503 636718477 /nfs/dbraw/zinc/71/84/77/636718477.db2.gz YIICMUKXWPJZTG-UPJWGTAASA-N 2 1 238.375 1.676 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621705 636825875 /nfs/dbraw/zinc/82/58/75/636825875.db2.gz OZDMUXISSZJRQQ-GXTWGEPZSA-N 2 1 240.391 1.543 20 0 BDADMP COCC(C)(C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621705 636825878 /nfs/dbraw/zinc/82/58/78/636825878.db2.gz OZDMUXISSZJRQQ-GXTWGEPZSA-N 2 1 240.391 1.543 20 0 BDADMP COCC(C)(C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621705 636825883 /nfs/dbraw/zinc/82/58/83/636825883.db2.gz OZDMUXISSZJRQQ-GXTWGEPZSA-N 2 1 240.391 1.543 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)C[NH+](C)C ZINC000926960869 636972829 /nfs/dbraw/zinc/97/28/29/636972829.db2.gz NNAVWDGLXFLQEM-YNEHKIRRSA-N 2 1 244.379 1.110 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)C(C)C)C[NH+](C)C ZINC000926967074 636977053 /nfs/dbraw/zinc/97/70/53/636977053.db2.gz ZQWMAZNRAJSRRV-VXGBXAGGSA-N 2 1 216.369 1.587 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C[NH+](C)C ZINC000926965027 636977503 /nfs/dbraw/zinc/97/75/03/636977503.db2.gz ZKLMISJKXXKWAQ-FQUUOJAGSA-N 2 1 240.391 1.731 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@@H]1CCCO1 ZINC000054602740 637035366 /nfs/dbraw/zinc/03/53/66/637035366.db2.gz GJIMRMWLRUBUMH-GSPSYOTPSA-N 2 1 238.375 1.900 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCO1 ZINC000054602740 637035370 /nfs/dbraw/zinc/03/53/70/637035370.db2.gz GJIMRMWLRUBUMH-GSPSYOTPSA-N 2 1 238.375 1.900 20 0 BDADMP CNc1cc(NCC(C)(C)C[NH+](C)C)nc[nH+]1 ZINC000128387837 637050254 /nfs/dbraw/zinc/05/02/54/637050254.db2.gz FSJALYXJCXJEEV-UHFFFAOYSA-N 2 1 237.351 1.518 20 0 BDADMP CNc1cc(NCC(C)(C)C[NH+](C)C)[nH+]cn1 ZINC000128387837 637050259 /nfs/dbraw/zinc/05/02/59/637050259.db2.gz FSJALYXJCXJEEV-UHFFFAOYSA-N 2 1 237.351 1.518 20 0 BDADMP CCCSC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000903093081 637343146 /nfs/dbraw/zinc/34/31/46/637343146.db2.gz PJMSEVJTYVJIJB-GHMZBOCLSA-N 2 1 234.409 1.030 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CCO ZINC000903463438 637365080 /nfs/dbraw/zinc/36/50/80/637365080.db2.gz AZGHXYCAXUSNMU-YIYPIFLZSA-N 2 1 240.391 1.597 20 0 BDADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463589 637365267 /nfs/dbraw/zinc/36/52/67/637365267.db2.gz GEXPWAMAQGOXTG-CRWXNKLISA-N 2 1 240.391 1.597 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000903463607 637365628 /nfs/dbraw/zinc/36/56/28/637365628.db2.gz GNVYACUFVWQSOT-RQJABVFESA-N 2 1 238.375 1.200 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903565778 637370233 /nfs/dbraw/zinc/37/02/33/637370233.db2.gz QCWHKZFGZUVCPW-LLVKDONJSA-N 2 1 239.388 1.746 20 0 BDADMP O[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1F ZINC000903841598 637384883 /nfs/dbraw/zinc/38/48/83/637384883.db2.gz YJHJBEJYKIRYSM-STQMWFEESA-N 2 1 244.354 1.171 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903865504 637387041 /nfs/dbraw/zinc/38/70/41/637387041.db2.gz ZLFWPIPOPPLENV-HZSPNIEDSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903865504 637387046 /nfs/dbraw/zinc/38/70/46/637387046.db2.gz ZLFWPIPOPPLENV-HZSPNIEDSA-N 2 1 240.391 1.597 20 0 BDADMP COC1(C[NH2+][C@@H]2C[NH2+]CC2(C)C)CCCC1 ZINC000904461916 637406111 /nfs/dbraw/zinc/40/61/11/637406111.db2.gz PRFBUOYBHXHZCL-LLVKDONJSA-N 2 1 226.364 1.533 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000904463164 637406938 /nfs/dbraw/zinc/40/69/38/637406938.db2.gz UWTNFMKYWDJCBV-JTQLQIEISA-N 2 1 214.353 1.247 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000904449358 637412557 /nfs/dbraw/zinc/41/25/57/637412557.db2.gz JMNIJGZMJOLOSI-UHFFFAOYSA-N 2 1 210.708 1.921 20 0 BDADMP COc1cc(C[NH2+]CC2([NH3+])CC2)ccc1C ZINC000904445510 637413452 /nfs/dbraw/zinc/41/34/52/637413452.db2.gz WEHKPMJSXZCPJX-UHFFFAOYSA-N 2 1 220.316 1.585 20 0 BDADMP Cc1cc(C)cc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904448652 637414887 /nfs/dbraw/zinc/41/48/87/637414887.db2.gz BERQMOBBQAMWLB-UHFFFAOYSA-N 2 1 204.317 1.884 20 0 BDADMP Cc1ccc(F)cc1C[NH2+]CC1([NH3+])CC1 ZINC000904451246 637416425 /nfs/dbraw/zinc/41/64/25/637416425.db2.gz WOSJOFOJDOWNRG-UHFFFAOYSA-N 2 1 208.280 1.715 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000252461835 637435964 /nfs/dbraw/zinc/43/59/64/637435964.db2.gz YGOZISKGQDJMDC-XMWDXMLXSA-N 2 1 202.729 1.798 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000252461835 637435968 /nfs/dbraw/zinc/43/59/68/637435968.db2.gz YGOZISKGQDJMDC-XMWDXMLXSA-N 2 1 202.729 1.798 20 0 BDADMP CC[C@@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313268 637740672 /nfs/dbraw/zinc/74/06/72/637740672.db2.gz JUZKEJGFQSNELP-SECBINFHSA-N 2 1 224.308 1.022 20 0 BDADMP [NH3+]C[C@@H](c1nc(C2([NH3+])CC2)no1)c1ccccc1 ZINC000905313663 637741332 /nfs/dbraw/zinc/74/13/32/637741332.db2.gz APOCAYWVGYGLIY-SNVBAGLBSA-N 2 1 244.298 1.108 20 0 BDADMP [NH3+]C1(c2noc(C3CC[NH+](C4CC4)CC3)n2)CC1 ZINC000905326560 637755954 /nfs/dbraw/zinc/75/59/54/637755954.db2.gz QTDMXELGXFMNOJ-UHFFFAOYSA-N 2 1 248.330 1.359 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]12C[C@H]1CCC2)C1CC1 ZINC000905620990 637860329 /nfs/dbraw/zinc/86/03/29/637860329.db2.gz IMVNFVHNQOJCBE-XBFCOCLRSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]12C[C@H]1CCC2)C1CC1 ZINC000905620990 637860336 /nfs/dbraw/zinc/86/03/36/637860336.db2.gz IMVNFVHNQOJCBE-XBFCOCLRSA-N 2 1 238.375 1.221 20 0 BDADMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(Cl)c1 ZINC000906507729 638179584 /nfs/dbraw/zinc/17/95/84/638179584.db2.gz BOIYPQYTZLCODQ-MGCOHNPYSA-N 2 1 240.734 1.928 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2scnc2C2CC2)C1 ZINC000906511479 638185427 /nfs/dbraw/zinc/18/54/27/638185427.db2.gz WLGGCKBMLNUKFX-UHFFFAOYSA-N 2 1 223.345 1.600 20 0 BDADMP Cc1ccc2ncc(C[NH2+][C@H]3C[C@H]([NH3+])C3)n2c1 ZINC000906518402 638187555 /nfs/dbraw/zinc/18/75/55/638187555.db2.gz YKBAXDVFZWAAHS-XYPYZODXSA-N 2 1 230.315 1.222 20 0 BDADMP CCOC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000385826102 711455370 /nfs/dbraw/zinc/45/53/70/711455370.db2.gz KSNKFJWWFGDUGY-UHFFFAOYSA-N 2 1 216.325 1.000 20 0 BDADMP CCOC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000385826102 711455372 /nfs/dbraw/zinc/45/53/72/711455372.db2.gz KSNKFJWWFGDUGY-UHFFFAOYSA-N 2 1 216.325 1.000 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309506 639695513 /nfs/dbraw/zinc/69/55/13/639695513.db2.gz KMBHLYWBLZEBNO-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1[C@H]([NH+](C)C)CCN1C[C@H]1CCC[N@H+]1C ZINC000931036512 640031181 /nfs/dbraw/zinc/03/11/81/640031181.db2.gz GMCXHBYTGXLVLT-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156075902 640130544 /nfs/dbraw/zinc/13/05/44/640130544.db2.gz IZLQCRPEUYXUOL-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC000931280079 640134908 /nfs/dbraw/zinc/13/49/08/640134908.db2.gz BDZXBSAFLPAYKQ-QYVRYILPSA-N 2 1 220.360 1.524 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC000931280079 640134911 /nfs/dbraw/zinc/13/49/11/640134911.db2.gz BDZXBSAFLPAYKQ-QYVRYILPSA-N 2 1 220.360 1.524 20 0 BDADMP CC[C@H](C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)OC ZINC000931317051 640142929 /nfs/dbraw/zinc/14/29/29/640142929.db2.gz MNQAMVPLZCLQRE-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000931356149 640169214 /nfs/dbraw/zinc/16/92/14/640169214.db2.gz ZDWNMLCJEPQFSQ-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](CCOC2CC2)CC1 ZINC000931355886 640170166 /nfs/dbraw/zinc/17/01/66/640170166.db2.gz DEVGKVPOYSRHNV-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)no1 ZINC000931431951 640200180 /nfs/dbraw/zinc/20/01/80/640200180.db2.gz GUCVGMIQJKSIRH-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCCC3)C[C@@H]2C1 ZINC000931437024 640202530 /nfs/dbraw/zinc/20/25/30/640202530.db2.gz CRNMXMVMTAKNJX-NEPJUHHUSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2C1 ZINC000931437024 640202537 /nfs/dbraw/zinc/20/25/37/640202537.db2.gz CRNMXMVMTAKNJX-NEPJUHHUSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2C1 ZINC000931437024 640202543 /nfs/dbraw/zinc/20/25/43/640202543.db2.gz CRNMXMVMTAKNJX-NEPJUHHUSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccnc(F)c3)C[C@@H]2C1 ZINC000931441881 640205536 /nfs/dbraw/zinc/20/55/36/640205536.db2.gz PNXYTVSUZPIUFL-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccnc(F)c3)C[C@@H]2C1 ZINC000931441881 640205538 /nfs/dbraw/zinc/20/55/38/640205538.db2.gz PNXYTVSUZPIUFL-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccnc(F)c3)C[C@@H]2C1 ZINC000931441881 640205543 /nfs/dbraw/zinc/20/55/43/640205543.db2.gz PNXYTVSUZPIUFL-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccnc(F)c3)C[C@@H]2C1 ZINC000931441881 640205544 /nfs/dbraw/zinc/20/55/44/640205544.db2.gz PNXYTVSUZPIUFL-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP CC(C)(C)[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518184 640247318 /nfs/dbraw/zinc/24/73/18/640247318.db2.gz NMDHSLCSEATFOF-CYBMUJFWSA-N 2 1 249.358 1.429 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518184 640247322 /nfs/dbraw/zinc/24/73/22/640247322.db2.gz NMDHSLCSEATFOF-CYBMUJFWSA-N 2 1 249.358 1.429 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704087 640326183 /nfs/dbraw/zinc/32/61/83/640326183.db2.gz PPPFNVPPRRZYKS-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CC[NH+]1CCCC1 ZINC000931718797 640333258 /nfs/dbraw/zinc/33/32/58/640333258.db2.gz WMNWYKWRCAQFIR-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000931763351 640356960 /nfs/dbraw/zinc/35/69/60/640356960.db2.gz GLSXFWDHJLNGMF-STQMWFEESA-N 2 1 249.358 1.363 20 0 BDADMP C[N@@H+](Cc1cscn1)C1CCC([NH3+])CC1 ZINC000055144642 640438748 /nfs/dbraw/zinc/43/87/48/640438748.db2.gz SRVUNHMDTDMVHN-UHFFFAOYSA-N 2 1 225.361 1.845 20 0 BDADMP CCC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000717975093 711492757 /nfs/dbraw/zinc/49/27/57/711492757.db2.gz MVNIEXDZEWHWSN-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1nccn1CC[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399119 640713763 /nfs/dbraw/zinc/71/37/63/640713763.db2.gz QZJOCSCRHZBDIP-UHFFFAOYSA-N 2 1 246.314 1.424 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226418961 640762299 /nfs/dbraw/zinc/76/22/99/640762299.db2.gz XBRPMDBFXRSKGG-LBPRGKRZSA-N 2 1 214.353 1.210 20 0 BDADMP C[C@]1(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000226896713 640804097 /nfs/dbraw/zinc/80/40/97/640804097.db2.gz SPGFMMYUAVNIKR-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]1(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000226896713 640804103 /nfs/dbraw/zinc/80/41/03/640804103.db2.gz SPGFMMYUAVNIKR-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000227058293 640813454 /nfs/dbraw/zinc/81/34/54/640813454.db2.gz MCKSRWCYJAFQIG-GXSJLCMTSA-N 2 1 235.331 1.265 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000229091875 640921639 /nfs/dbraw/zinc/92/16/39/640921639.db2.gz MYGZDYOEZWMMIO-KOLCDFICSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000229091875 640921642 /nfs/dbraw/zinc/92/16/42/640921642.db2.gz MYGZDYOEZWMMIO-KOLCDFICSA-N 2 1 223.320 1.400 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000230313702 641045702 /nfs/dbraw/zinc/04/57/02/641045702.db2.gz MIRPFMYVLNACPP-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1C ZINC000230309644 641046520 /nfs/dbraw/zinc/04/65/20/641046520.db2.gz KZCFNPJKNPMZGZ-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000230314856 641046913 /nfs/dbraw/zinc/04/69/13/641046913.db2.gz BEIFTYBCLBRFQU-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@H+](C)CCn1cc[nH+]c1C ZINC000934111846 641077463 /nfs/dbraw/zinc/07/74/63/641077463.db2.gz PRZBQPWTCUAJHX-NWDGAFQWSA-N 2 1 223.320 1.301 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1C ZINC000934111846 641077467 /nfs/dbraw/zinc/07/74/67/641077467.db2.gz PRZBQPWTCUAJHX-NWDGAFQWSA-N 2 1 223.320 1.301 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862483 641100052 /nfs/dbraw/zinc/10/00/52/641100052.db2.gz MULGBWQEHZIKNE-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000062911664 641107666 /nfs/dbraw/zinc/10/76/66/641107666.db2.gz PCHJDPMOVTUYHV-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(C)=O)C1 ZINC000173887207 641211451 /nfs/dbraw/zinc/21/14/51/641211451.db2.gz MVTMBZSWGHVYLV-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)=O)C1 ZINC000173887207 641211457 /nfs/dbraw/zinc/21/14/57/641211457.db2.gz MVTMBZSWGHVYLV-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(C)=O)C1 ZINC000173887207 641211462 /nfs/dbraw/zinc/21/14/62/641211462.db2.gz MVTMBZSWGHVYLV-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)=O)C1 ZINC000173887207 641211466 /nfs/dbraw/zinc/21/14/66/641211466.db2.gz MVTMBZSWGHVYLV-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP CSCC(C)(C)[NH2+]CCn1cc[nH+]c1C ZINC000934670715 641242756 /nfs/dbraw/zinc/24/27/56/641242756.db2.gz QQBKUAUSAUXBKK-UHFFFAOYSA-N 2 1 227.377 1.923 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148413 641248711 /nfs/dbraw/zinc/24/87/11/641248711.db2.gz MTADJXULERDSCG-OLZOCXBDSA-N 2 1 226.364 1.208 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232148783 641248768 /nfs/dbraw/zinc/24/87/68/641248768.db2.gz LAHRMNJAYXJZCG-XBFCOCLRSA-N 2 1 240.391 1.739 20 0 BDADMP COC/C(C)=C\C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000929698909 641404309 /nfs/dbraw/zinc/40/43/09/641404309.db2.gz BXLMPCPKKIIWLX-LVOZBFFPSA-N 2 1 240.391 1.853 20 0 BDADMP COC/C(C)=C\C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000929698909 641404313 /nfs/dbraw/zinc/40/43/13/641404313.db2.gz BXLMPCPKKIIWLX-LVOZBFFPSA-N 2 1 240.391 1.853 20 0 BDADMP COC/C(C)=C\C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000929698909 641404316 /nfs/dbraw/zinc/40/43/16/641404316.db2.gz BXLMPCPKKIIWLX-LVOZBFFPSA-N 2 1 240.391 1.853 20 0 BDADMP C[C@H]1C[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261553187 641444207 /nfs/dbraw/zinc/44/42/07/641444207.db2.gz SHGKIVNOEZGYBT-MSXOGSJSSA-N 2 1 208.349 1.857 20 0 BDADMP COCC[N@H+](CC(C)C)C[C@H]1CCC[NH2+]1 ZINC000042370816 641551733 /nfs/dbraw/zinc/55/17/33/641551733.db2.gz LIFMGVNRDPWDOD-GFCCVEGCSA-N 2 1 214.353 1.343 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@H]1CCC[NH2+]1 ZINC000042370816 641551741 /nfs/dbraw/zinc/55/17/41/641551741.db2.gz LIFMGVNRDPWDOD-GFCCVEGCSA-N 2 1 214.353 1.343 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043428003 641564389 /nfs/dbraw/zinc/56/43/89/641564389.db2.gz XQRZNCHOJRWLSA-QWHCGFSZSA-N 2 1 226.364 1.759 20 0 BDADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000188987496 641781275 /nfs/dbraw/zinc/78/12/75/641781275.db2.gz MRBVRCLZXQIVQI-LBPRGKRZSA-N 2 1 249.333 1.795 20 0 BDADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000188987496 641781279 /nfs/dbraw/zinc/78/12/79/641781279.db2.gz MRBVRCLZXQIVQI-LBPRGKRZSA-N 2 1 249.333 1.795 20 0 BDADMP Cc1nc(C)c(C[N@@H+](C)CCCn2ccnc2)[nH]1 ZINC000930128141 642491633 /nfs/dbraw/zinc/49/16/33/642491633.db2.gz ZISBKCZKYXDLPX-UHFFFAOYSA-N 2 1 247.346 1.745 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257703289 642506829 /nfs/dbraw/zinc/50/68/29/642506829.db2.gz QPJBEAIFILIOQA-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257703289 642506834 /nfs/dbraw/zinc/50/68/34/642506834.db2.gz QPJBEAIFILIOQA-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000233093927 642652166 /nfs/dbraw/zinc/65/21/66/642652166.db2.gz KKKNUAVEIDGQHF-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000233518613 642675118 /nfs/dbraw/zinc/67/51/18/642675118.db2.gz XCISFHWJHCIZCK-GHMZBOCLSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccn(C)n1 ZINC000653760388 642816429 /nfs/dbraw/zinc/81/64/29/642816429.db2.gz WROMSDYYHXJYEM-LLVKDONJSA-N 2 1 247.346 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCO)CC[N@H+]1C ZINC000182147223 642960583 /nfs/dbraw/zinc/96/05/83/642960583.db2.gz IWRQNYMTHIZSSQ-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP C[NH2+]C[C@@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000070800314 643070609 /nfs/dbraw/zinc/07/06/09/643070609.db2.gz IWYMEHOAMVUVGV-NSHDSACASA-N 2 1 205.305 1.436 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])NC(C)(C)C)C1CCCC1 ZINC000071379491 643137785 /nfs/dbraw/zinc/13/77/85/643137785.db2.gz UNXKUXWUSUKRLK-UHFFFAOYSA-N 2 1 240.395 1.773 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NC1CCCC1)C(C)C ZINC000066246545 643165635 /nfs/dbraw/zinc/16/56/35/643165635.db2.gz NJWNTHZCTCABPF-UHFFFAOYSA-N 2 1 240.395 1.773 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@H]1CCCOC1 ZINC000082544463 643340903 /nfs/dbraw/zinc/34/09/03/643340903.db2.gz QBDFFJORBSMJFT-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000082560624 643343266 /nfs/dbraw/zinc/34/32/66/643343266.db2.gz ZPRGNQMRWBVGOC-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000082602402 643353084 /nfs/dbraw/zinc/35/30/84/643353084.db2.gz GPKLUXYQXOAJEU-NSHDSACASA-N 2 1 224.373 1.961 20 0 BDADMP CC(C)CO[C@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C ZINC000082923080 643389617 /nfs/dbraw/zinc/38/96/17/643389617.db2.gz MVOWZINHGMSRFG-QWRGUYRKSA-N 2 1 214.353 1.374 20 0 BDADMP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000036304868 643461977 /nfs/dbraw/zinc/46/19/77/643461977.db2.gz FFPXFPYMYJTGRC-UHFFFAOYSA-N 2 1 248.370 1.935 20 0 BDADMP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000036304868 643461982 /nfs/dbraw/zinc/46/19/82/643461982.db2.gz FFPXFPYMYJTGRC-UHFFFAOYSA-N 2 1 248.370 1.935 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016198 643523546 /nfs/dbraw/zinc/52/35/46/643523546.db2.gz HKONFWNDQYOSDQ-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000082931360 643528097 /nfs/dbraw/zinc/52/80/97/643528097.db2.gz DBTWWQYJMWOJAV-LLVKDONJSA-N 2 1 205.305 1.252 20 0 BDADMP [NH3+]CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000083985655 643637103 /nfs/dbraw/zinc/63/71/03/643637103.db2.gz YAKUNWGHXAYQHH-CYBMUJFWSA-N 2 1 204.317 1.652 20 0 BDADMP [NH3+]CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000083985655 643637109 /nfs/dbraw/zinc/63/71/09/643637109.db2.gz YAKUNWGHXAYQHH-CYBMUJFWSA-N 2 1 204.317 1.652 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000084420519 643661578 /nfs/dbraw/zinc/66/15/78/643661578.db2.gz RBKHVMBCKXDWSC-CYBMUJFWSA-N 2 1 227.396 1.532 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CCCCCC[NH3+])C1 ZINC000084420519 643661580 /nfs/dbraw/zinc/66/15/80/643661580.db2.gz RBKHVMBCKXDWSC-CYBMUJFWSA-N 2 1 227.396 1.532 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000084420521 643661630 /nfs/dbraw/zinc/66/16/30/643661630.db2.gz RBKHVMBCKXDWSC-ZDUSSCGKSA-N 2 1 227.396 1.532 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CCCCCC[NH3+])C1 ZINC000084420521 643661634 /nfs/dbraw/zinc/66/16/34/643661634.db2.gz RBKHVMBCKXDWSC-ZDUSSCGKSA-N 2 1 227.396 1.532 20 0 BDADMP CO[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000050372549 643692545 /nfs/dbraw/zinc/69/25/45/643692545.db2.gz CUFQHCQXPASWII-RYUDHWBXSA-N 2 1 223.320 1.349 20 0 BDADMP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000230048200 643765217 /nfs/dbraw/zinc/76/52/17/643765217.db2.gz RIZOQUJSELHVMN-BFHYXJOUSA-N 2 1 248.374 1.022 20 0 BDADMP Cc1ncoc1C[NH2+]CCc1c[nH+]cn1C ZINC000922273911 643940979 /nfs/dbraw/zinc/94/09/79/643940979.db2.gz OJBRFXGEGQINGT-UHFFFAOYSA-N 2 1 220.276 1.049 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000922757879 644088394 /nfs/dbraw/zinc/08/83/94/644088394.db2.gz MZLTWNOMLDVAFQ-QWHCGFSZSA-N 2 1 230.396 1.979 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@H]1CC=CCC1)C[NH+](C)C ZINC000922761308 644085985 /nfs/dbraw/zinc/08/59/85/644085985.db2.gz QUJWAFNVTLBVSY-KBPBESRZSA-N 2 1 240.391 1.899 20 0 BDADMP CCO[C@@H](C[NH2+]CCCC(C)C)C[NH+](C)C ZINC000922758097 644087259 /nfs/dbraw/zinc/08/72/59/644087259.db2.gz QONVGRFSDSSQGO-ZDUSSCGKSA-N 2 1 230.396 1.979 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1C)C[NH+](C)C ZINC000922757266 644087549 /nfs/dbraw/zinc/08/75/49/644087549.db2.gz DAFZHXHUCYVMHN-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)CC(C)C)C[NH+](C)C ZINC000922756531 644087602 /nfs/dbraw/zinc/08/76/02/644087602.db2.gz KQUMLILCHKTLRE-QWHCGFSZSA-N 2 1 230.396 1.977 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922820749 644110599 /nfs/dbraw/zinc/11/05/99/644110599.db2.gz JIDJALRDXCYLIM-IHRRRGAJSA-N 2 1 240.391 1.754 20 0 BDADMP CC1([NH+]2CCC2)CCC([NH2+]Cc2c[nH]cn2)CC1 ZINC000922845175 644119875 /nfs/dbraw/zinc/11/98/75/644119875.db2.gz CKLRDHOUBPXOJM-UHFFFAOYSA-N 2 1 248.374 1.906 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCNC(NC)=[NH+]C ZINC000073840198 644137349 /nfs/dbraw/zinc/13/73/49/644137349.db2.gz KREYKNJEZHKOJS-NSHDSACASA-N 2 1 226.368 1.046 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923281919 644315024 /nfs/dbraw/zinc/31/50/24/644315024.db2.gz JJEZVCWWSNXJMG-ZIAGYGMSSA-N 2 1 242.407 1.988 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H](O)CCc1ccccc1 ZINC000923291525 644317293 /nfs/dbraw/zinc/31/72/93/644317293.db2.gz PHNDNMZWCQJIFL-AWEZNQCLSA-N 2 1 236.359 1.261 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923288867 644322519 /nfs/dbraw/zinc/32/25/19/644322519.db2.gz CYMMCAVXNZSWRO-CABCVRRESA-N 2 1 248.370 1.131 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923289791 644322893 /nfs/dbraw/zinc/32/28/93/644322893.db2.gz LZJFASCAHNUPAJ-IHRRRGAJSA-N 2 1 242.407 1.987 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299955 644326210 /nfs/dbraw/zinc/32/62/10/644326210.db2.gz KDELNESDAJMFBM-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923300256 644326465 /nfs/dbraw/zinc/32/64/65/644326465.db2.gz PEKPPKVIIJJLHL-XQQFMLRXSA-N 2 1 238.375 1.343 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923292739 644329018 /nfs/dbraw/zinc/32/90/18/644329018.db2.gz KXNRCIJGPKILSY-OLZOCXBDSA-N 2 1 228.380 1.741 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923292739 644329023 /nfs/dbraw/zinc/32/90/23/644329023.db2.gz KXNRCIJGPKILSY-OLZOCXBDSA-N 2 1 228.380 1.741 20 0 BDADMP CCOCC[C@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923296259 644334311 /nfs/dbraw/zinc/33/43/11/644334311.db2.gz DPGSWWHIONYWAR-STQMWFEESA-N 2 1 246.395 1.079 20 0 BDADMP CCOCC[C@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923296258 644335820 /nfs/dbraw/zinc/33/58/20/644335820.db2.gz DPGSWWHIONYWAR-QWHCGFSZSA-N 2 1 246.395 1.079 20 0 BDADMP C[N@@H+](Cc1cccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296686 644335835 /nfs/dbraw/zinc/33/58/35/644335835.db2.gz ABFCRKUUAQBMLJ-LSJOCFKGSA-N 2 1 226.345 1.031 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923298413 644337180 /nfs/dbraw/zinc/33/71/80/644337180.db2.gz BSVPJNKUONQCGZ-NWDGAFQWSA-N 2 1 224.348 1.097 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307830 644337943 /nfs/dbraw/zinc/33/79/43/644337943.db2.gz WXMVJERVKQJWGU-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC3(CCCC3)C2)C1 ZINC000923312629 644340624 /nfs/dbraw/zinc/34/06/24/644340624.db2.gz LAMAZXCNOVVKQW-SRVKXCTJSA-N 2 1 224.348 1.103 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923314231 644340743 /nfs/dbraw/zinc/34/07/43/644340743.db2.gz DVVBLJKXLDDVOO-IJLUTSLNSA-N 2 1 224.348 1.095 20 0 BDADMP C[N@@H+](CCc1cccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923318208 644344144 /nfs/dbraw/zinc/34/41/44/644344144.db2.gz XGXAQBIVVKAAII-DLOVCJGASA-N 2 1 240.372 1.073 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317576 644344888 /nfs/dbraw/zinc/34/48/88/644344888.db2.gz FJIZZLZORHRRQN-STQMWFEESA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923310578 644346187 /nfs/dbraw/zinc/34/61/87/644346187.db2.gz KDYAURYKEWHYHF-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@H](O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336969 644356985 /nfs/dbraw/zinc/35/69/85/644356985.db2.gz VKKFFAYGDFDBDU-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923357474 644364930 /nfs/dbraw/zinc/36/49/30/644364930.db2.gz OBHFNQRVTBZYBV-STQMWFEESA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923357474 644364935 /nfs/dbraw/zinc/36/49/35/644364935.db2.gz OBHFNQRVTBZYBV-STQMWFEESA-N 2 1 228.380 1.453 20 0 BDADMP CCc1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000923353920 644369085 /nfs/dbraw/zinc/36/90/85/644369085.db2.gz NZSIOHBNCBOTLF-LLVKDONJSA-N 2 1 237.347 1.940 20 0 BDADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000923353920 644369092 /nfs/dbraw/zinc/36/90/92/644369092.db2.gz NZSIOHBNCBOTLF-LLVKDONJSA-N 2 1 237.347 1.940 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923366199 644379528 /nfs/dbraw/zinc/37/95/28/644379528.db2.gz KXQXNEFRXHFIFV-AGIUHOORSA-N 2 1 228.380 1.597 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000923366199 644379532 /nfs/dbraw/zinc/37/95/32/644379532.db2.gz KXQXNEFRXHFIFV-AGIUHOORSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923371065 644383137 /nfs/dbraw/zinc/38/31/37/644383137.db2.gz UYIILKVCTPNOSM-ZOBORPQBSA-N 2 1 242.407 1.760 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923360553 644384903 /nfs/dbraw/zinc/38/49/03/644384903.db2.gz CINQHGFOVXEDOK-BPCQOVAHSA-N 2 1 228.380 1.739 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923386171 644397926 /nfs/dbraw/zinc/39/79/26/644397926.db2.gz GCODKLOQNGWNCX-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000923393293 644401632 /nfs/dbraw/zinc/40/16/32/644401632.db2.gz OBIGSSRMDYBPJQ-VHDGCEQUSA-N 2 1 248.370 1.402 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000923397678 644404225 /nfs/dbraw/zinc/40/42/25/644404225.db2.gz FGYLWHHVDVMRPX-KFWWJZLASA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000923397678 644404229 /nfs/dbraw/zinc/40/42/29/644404229.db2.gz FGYLWHHVDVMRPX-KFWWJZLASA-N 2 1 246.354 1.533 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000923412587 644414302 /nfs/dbraw/zinc/41/43/02/644414302.db2.gz RJFHNACUHCHJHG-AAEUAGOBSA-N 2 1 236.334 1.895 20 0 BDADMP CCCCCC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923412005 644414558 /nfs/dbraw/zinc/41/45/58/644414558.db2.gz VONUYMRGNSZQCA-RYUDHWBXSA-N 2 1 216.369 1.597 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923412005 644414563 /nfs/dbraw/zinc/41/45/63/644414563.db2.gz VONUYMRGNSZQCA-RYUDHWBXSA-N 2 1 216.369 1.597 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923413189 644416448 /nfs/dbraw/zinc/41/64/48/644416448.db2.gz UPKBSCVMWONHMW-BPLDGKMQSA-N 2 1 248.370 1.555 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CCC[NH2+]C3CC3)CC[C@@H]21 ZINC000923414088 644416835 /nfs/dbraw/zinc/41/68/35/644416835.db2.gz JNKRNKPIFSHILV-OCCSQVGLSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923423209 644418786 /nfs/dbraw/zinc/41/87/86/644418786.db2.gz WBHRPDSBGLVKRQ-RYUDHWBXSA-N 2 1 238.375 1.628 20 0 BDADMP CCN1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000084220335 644420136 /nfs/dbraw/zinc/42/01/36/644420136.db2.gz SRMXHVVMPIANOE-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923427512 644421963 /nfs/dbraw/zinc/42/19/63/644421963.db2.gz BEXJILOGNFMQLF-MCIONIFRSA-N 2 1 242.407 1.700 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000084384784 644423454 /nfs/dbraw/zinc/42/34/54/644423454.db2.gz FBMCHMWCWZBNHS-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456995 644438017 /nfs/dbraw/zinc/43/80/17/644438017.db2.gz BCWANTUJXLVGNS-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456995 644438026 /nfs/dbraw/zinc/43/80/26/644438026.db2.gz BCWANTUJXLVGNS-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000923480418 644459290 /nfs/dbraw/zinc/45/92/90/644459290.db2.gz YCODKYOBUKBWMR-UPJWGTAASA-N 2 1 224.348 1.084 20 0 BDADMP Cc1conc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488070 644462060 /nfs/dbraw/zinc/46/20/60/644462060.db2.gz CZZLHSAKUZTYKD-GXSJLCMTSA-N 2 1 223.320 1.400 20 0 BDADMP CN(CC[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923484110 644462791 /nfs/dbraw/zinc/46/27/91/644462791.db2.gz VRZUHTVVUASRLK-AWEZNQCLSA-N 2 1 247.386 1.794 20 0 BDADMP Cc1csc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923496274 644463001 /nfs/dbraw/zinc/46/30/01/644463001.db2.gz GZFRICQRBJSPEQ-ONGXEEELSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923490397 644465612 /nfs/dbraw/zinc/46/56/12/644465612.db2.gz NKBMFWMNJXQCKJ-GXSJLCMTSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490964 644466376 /nfs/dbraw/zinc/46/63/76/644466376.db2.gz PJTLIJUBLWJQHB-NDBYEHHHSA-N 2 1 226.364 1.328 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923491942 644467109 /nfs/dbraw/zinc/46/71/09/644467109.db2.gz VIAKSFPDYTWUKP-NDBYEHHHSA-N 2 1 226.364 1.328 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000923491523 644467790 /nfs/dbraw/zinc/46/77/90/644467790.db2.gz IJNTWSCYKIBMPV-KOLCDFICSA-N 2 1 239.388 1.868 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1C[NH3+] ZINC000923491774 644468246 /nfs/dbraw/zinc/46/82/46/644468246.db2.gz UDOKAQUUIFZRNE-DGCLKSJQSA-N 2 1 208.349 1.869 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1C[NH3+] ZINC000923491777 644468856 /nfs/dbraw/zinc/46/88/56/644468856.db2.gz UDOKAQUUIFZRNE-WCQYABFASA-N 2 1 208.349 1.869 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1C[NH3+] ZINC000923494450 644469618 /nfs/dbraw/zinc/46/96/18/644469618.db2.gz XPQYNQIEAVUEIB-ZOBORPQBSA-N 2 1 238.375 1.330 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000923493495 644470118 /nfs/dbraw/zinc/47/01/18/644470118.db2.gz HFJMTEISVLECLT-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729639 644472066 /nfs/dbraw/zinc/47/20/66/644472066.db2.gz AOUVOMDMKBYDLQ-PNESKVBLSA-N 3 1 227.396 1.576 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)oc1C ZINC000923497327 644472628 /nfs/dbraw/zinc/47/26/28/644472628.db2.gz DPKAQBSNTURWLZ-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923499551 644473708 /nfs/dbraw/zinc/47/37/08/644473708.db2.gz SNCJDJOIQJKOHV-GXSJLCMTSA-N 2 1 223.320 1.400 20 0 BDADMP Fc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516633 644479721 /nfs/dbraw/zinc/47/97/21/644479721.db2.gz MFJHBQDNZXRCIU-QWHCGFSZSA-N 2 1 234.318 1.867 20 0 BDADMP Fc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516633 644479725 /nfs/dbraw/zinc/47/97/25/644479725.db2.gz MFJHBQDNZXRCIU-QWHCGFSZSA-N 2 1 234.318 1.867 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515687 644481269 /nfs/dbraw/zinc/48/12/69/644481269.db2.gz KJMOXPLFOVUMLO-GXTWGEPZSA-N 2 1 231.343 1.431 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518651 644482769 /nfs/dbraw/zinc/48/27/69/644482769.db2.gz YPXJQZWFLUFRAA-KWCYVHTRSA-N 2 1 231.343 1.684 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923529894 644482887 /nfs/dbraw/zinc/48/28/87/644482887.db2.gz CXONMMFRUKWVRR-KBPBESRZSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521279 644484050 /nfs/dbraw/zinc/48/40/50/644484050.db2.gz LSSWQKKPZCHFQR-GRYCIOLGSA-N 2 1 232.331 1.079 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521279 644484053 /nfs/dbraw/zinc/48/40/53/644484053.db2.gz LSSWQKKPZCHFQR-GRYCIOLGSA-N 2 1 232.331 1.079 20 0 BDADMP [NH3+]CCOCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526944 644485430 /nfs/dbraw/zinc/48/54/30/644485430.db2.gz WGNGJBMYJZWWLN-ZIAGYGMSSA-N 2 1 238.375 1.472 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccc(=O)[nH]1 ZINC000923552926 644494036 /nfs/dbraw/zinc/49/40/36/644494036.db2.gz FTUPCNNBXGNGEI-UHFFFAOYSA-N 2 1 249.358 1.609 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)c1cc[nH+]c(CO)c1 ZINC000092633794 644665048 /nfs/dbraw/zinc/66/50/48/644665048.db2.gz WJTPHXOOUKSGQZ-CYBMUJFWSA-N 2 1 235.331 1.104 20 0 BDADMP COC1CC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000769494885 644682150 /nfs/dbraw/zinc/68/21/50/644682150.db2.gz UHQMOOYFSWGWQX-QFWMXSHPSA-N 2 1 237.347 1.595 20 0 BDADMP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248880299 644704924 /nfs/dbraw/zinc/70/49/24/644704924.db2.gz SEKVQVWPQIWMOD-SRVKXCTJSA-N 2 1 241.379 1.055 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250006888 644745222 /nfs/dbraw/zinc/74/52/22/644745222.db2.gz TXHHLNRACUGQBC-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000251523921 644807231 /nfs/dbraw/zinc/80/72/31/644807231.db2.gz ABSJXLIEXNCAMA-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000796749576 644812801 /nfs/dbraw/zinc/81/28/01/644812801.db2.gz YSEKCVPOPPREMU-IGQOVBAYSA-N 2 1 237.391 1.153 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000796749576 644812804 /nfs/dbraw/zinc/81/28/04/644812804.db2.gz YSEKCVPOPPREMU-IGQOVBAYSA-N 2 1 237.391 1.153 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000796749576 644812809 /nfs/dbraw/zinc/81/28/09/644812809.db2.gz YSEKCVPOPPREMU-IGQOVBAYSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000796749576 644812810 /nfs/dbraw/zinc/81/28/10/644812810.db2.gz YSEKCVPOPPREMU-IGQOVBAYSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000796749576 644812815 /nfs/dbraw/zinc/81/28/15/644812815.db2.gz YSEKCVPOPPREMU-IGQOVBAYSA-N 2 1 237.391 1.153 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252176928 644841109 /nfs/dbraw/zinc/84/11/09/644841109.db2.gz SEUZZLJLQQEQCD-MROQNXINSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252176928 644841110 /nfs/dbraw/zinc/84/11/10/644841110.db2.gz SEUZZLJLQQEQCD-MROQNXINSA-N 2 1 226.364 1.626 20 0 BDADMP Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc(C)[nH+]1 ZINC000252857905 644918158 /nfs/dbraw/zinc/91/81/58/644918158.db2.gz LOAOCGWRGRMKNT-AVGNSLFASA-N 2 1 246.358 1.657 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)CO ZINC000926542239 645266944 /nfs/dbraw/zinc/26/69/44/645266944.db2.gz QRUTWAHLUXYWSP-WODVXLOZSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCC[NH2+]1)CCOCC2 ZINC000843129588 645267182 /nfs/dbraw/zinc/26/71/82/645267182.db2.gz WURDGWOKZNGHJN-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1COC[C@H]1C ZINC000926644647 645331506 /nfs/dbraw/zinc/33/15/06/645331506.db2.gz IAIJHHBJMKQQJP-CHWSQXEVSA-N 2 1 228.380 1.589 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@H]1C)C[NH+](C)C ZINC000926960543 645499095 /nfs/dbraw/zinc/49/90/95/645499095.db2.gz MMBCXCJAILWRPX-UTUOFQBUSA-N 2 1 214.353 1.341 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C)C(C)(C)C)C[NH+](C)C ZINC000926960657 645499900 /nfs/dbraw/zinc/49/99/00/645499900.db2.gz GCCKODHCKUOWKQ-NEPJUHHUSA-N 2 1 230.396 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C(C)C)C1CC1)C[NH+](C)C ZINC000926965724 645501969 /nfs/dbraw/zinc/50/19/69/645501969.db2.gz SXTCPVKWBXFVAF-ZIAGYGMSSA-N 2 1 242.407 1.977 20 0 BDADMP CCC[C@H](O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000927022324 645522371 /nfs/dbraw/zinc/52/23/71/645522371.db2.gz QMMHLVCAMSIYQH-AWEZNQCLSA-N 2 1 240.391 1.754 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000927025364 645526447 /nfs/dbraw/zinc/52/64/47/645526447.db2.gz HLVBAMDFTROEQL-HZSPNIEDSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH+]1C ZINC000930162171 645533522 /nfs/dbraw/zinc/53/35/22/645533522.db2.gz NGTRDOBUJWEZMB-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@H]1CCC[N@@H+]1C ZINC000930162171 645533526 /nfs/dbraw/zinc/53/35/26/645533526.db2.gz NGTRDOBUJWEZMB-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@H]1CCC[N@H+]1C ZINC000930162171 645533530 /nfs/dbraw/zinc/53/35/30/645533530.db2.gz NGTRDOBUJWEZMB-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@H]2CCC[C@H]21 ZINC000927145790 645568994 /nfs/dbraw/zinc/56/89/94/645568994.db2.gz BSZCCDXLUBVNHK-XGFWRYKXSA-N 2 1 238.375 1.220 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](CO)C2)[C@@H](C)C1 ZINC000927149974 645572646 /nfs/dbraw/zinc/57/26/46/645572646.db2.gz HIPINKUMHUPDSN-ZDEQEGDKSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858117097 645670730 /nfs/dbraw/zinc/67/07/30/645670730.db2.gz ZQIIBKQOZWFFHN-STQMWFEESA-N 2 1 242.407 1.856 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925494003 645727174 /nfs/dbraw/zinc/72/71/74/645727174.db2.gz NHLUXYQMENSXIO-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1ccnc(Cl)c1 ZINC000133223742 645862847 /nfs/dbraw/zinc/86/28/47/645862847.db2.gz VRNGBMYPHNOLFG-UHFFFAOYSA-N 2 1 213.712 1.516 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccnc(Cl)c1 ZINC000133223742 645862851 /nfs/dbraw/zinc/86/28/51/645862851.db2.gz VRNGBMYPHNOLFG-UHFFFAOYSA-N 2 1 213.712 1.516 20 0 BDADMP C[C@@H](c1ncccn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929281794 646059144 /nfs/dbraw/zinc/05/91/44/646059144.db2.gz CVNNKHGOLWWYDV-LBPRGKRZSA-N 2 1 248.374 1.811 20 0 BDADMP Fc1cccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000929313167 646074669 /nfs/dbraw/zinc/07/46/69/646074669.db2.gz QRZMEFMYYQTZIE-CHWSQXEVSA-N 2 1 234.318 1.519 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C1CC(SC)C1 ZINC000924652498 646086203 /nfs/dbraw/zinc/08/62/03/646086203.db2.gz AIJBLXYPWMWMRV-UHFFFAOYSA-N 2 1 246.420 1.438 20 0 BDADMP Cc1nonc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000924712433 646093650 /nfs/dbraw/zinc/09/36/50/646093650.db2.gz IOWSZVNOBRSETN-VIFPVBQESA-N 2 1 249.318 1.624 20 0 BDADMP CCC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC000929412083 646111414 /nfs/dbraw/zinc/11/14/14/646111414.db2.gz MACNGWAFBXKFKH-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CCC ZINC000929412083 646111420 /nfs/dbraw/zinc/11/14/20/646111420.db2.gz MACNGWAFBXKFKH-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CCC ZINC000929412083 646111425 /nfs/dbraw/zinc/11/14/25/646111425.db2.gz MACNGWAFBXKFKH-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C(C)(C)CO ZINC000924972088 646146401 /nfs/dbraw/zinc/14/64/01/646146401.db2.gz IFSVZEXNPHCJLC-LBPRGKRZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C(C)(C)CO ZINC000924972088 646146407 /nfs/dbraw/zinc/14/64/07/646146407.db2.gz IFSVZEXNPHCJLC-LBPRGKRZSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CC2(C1)CCCC2 ZINC000924992676 646151761 /nfs/dbraw/zinc/15/17/61/646151761.db2.gz NOMKOGWESKAZDG-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CCO)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000929621950 646205679 /nfs/dbraw/zinc/20/56/79/646205679.db2.gz MKVRYSABYFNMQH-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925479994 646291225 /nfs/dbraw/zinc/29/12/25/646291225.db2.gz UHHQLDXJXXFTSI-MNOVXSKESA-N 2 1 236.363 1.416 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925476911 646292342 /nfs/dbraw/zinc/29/23/42/646292342.db2.gz AYPBVJQYAUEZNH-ZDUSSCGKSA-N 2 1 239.407 1.593 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925482785 646292442 /nfs/dbraw/zinc/29/24/42/646292442.db2.gz OALMVZZKHGJBIK-YNEHKIRRSA-N 2 1 240.391 1.658 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925476910 646292779 /nfs/dbraw/zinc/29/27/79/646292779.db2.gz AYPBVJQYAUEZNH-CYBMUJFWSA-N 2 1 239.407 1.593 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925483796 646294229 /nfs/dbraw/zinc/29/42/29/646294229.db2.gz YOJYSGFWFLCRKU-VXGBXAGGSA-N 2 1 226.364 1.412 20 0 BDADMP CC[C@@H](CO)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000929764166 646294334 /nfs/dbraw/zinc/29/43/34/646294334.db2.gz QMQNRHHKAKJDDS-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H](CO)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000929764166 646294341 /nfs/dbraw/zinc/29/43/41/646294341.db2.gz QMQNRHHKAKJDDS-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925483744 646294644 /nfs/dbraw/zinc/29/46/44/646294644.db2.gz XWICZMGCOKHYIB-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925483741 646295040 /nfs/dbraw/zinc/29/50/40/646295040.db2.gz XWICZMGCOKHYIB-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCOC2CC2)CC[N@@H+]1C ZINC000929782928 646308236 /nfs/dbraw/zinc/30/82/36/646308236.db2.gz NFCXQEYCDLPBCU-RYUDHWBXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCOC2CC2)CC[N@H+]1C ZINC000929782928 646308240 /nfs/dbraw/zinc/30/82/40/646308240.db2.gz NFCXQEYCDLPBCU-RYUDHWBXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCOC2CC2)CC[NH+]1C ZINC000929782928 646308243 /nfs/dbraw/zinc/30/82/43/646308243.db2.gz NFCXQEYCDLPBCU-RYUDHWBXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCOC2CC2)CC[NH+]1C ZINC000929782928 646308245 /nfs/dbraw/zinc/30/82/45/646308245.db2.gz NFCXQEYCDLPBCU-RYUDHWBXSA-N 2 1 226.364 1.580 20 0 BDADMP C[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511554 646309927 /nfs/dbraw/zinc/30/99/27/646309927.db2.gz OYQGIPDXOOMKNM-WCQYABFASA-N 2 1 239.407 1.576 20 0 BDADMP C[NH+](C)CCCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925517332 646312164 /nfs/dbraw/zinc/31/21/64/646312164.db2.gz ADIYWFAWKURPPE-GFCCVEGCSA-N 2 1 225.380 1.202 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925536536 646321330 /nfs/dbraw/zinc/32/13/30/646321330.db2.gz FSSXDOLPTYGABM-AAEUAGOBSA-N 2 1 237.391 1.201 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCS1 ZINC000925553506 646331954 /nfs/dbraw/zinc/33/19/54/646331954.db2.gz SZEXOFPMRSLUET-WDEREUQCSA-N 2 1 226.389 1.756 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH2+][C@H]1C ZINC000925573491 646342061 /nfs/dbraw/zinc/34/20/61/646342061.db2.gz OAQOMDMSKPFQCX-MJBXVCDLSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925574748 646342274 /nfs/dbraw/zinc/34/22/74/646342274.db2.gz DFAFBZDLSOGOKI-NEPJUHHUSA-N 2 1 227.396 1.447 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925608843 646349819 /nfs/dbraw/zinc/34/98/19/646349819.db2.gz KQUHMVPHNQMYLD-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000925607744 646356992 /nfs/dbraw/zinc/35/69/92/646356992.db2.gz RQZDGJAPXNACRS-NDBYEHHHSA-N 2 1 226.364 1.268 20 0 BDADMP OC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000925618842 646365243 /nfs/dbraw/zinc/36/52/43/646365243.db2.gz YOCHZYZCRDCLBA-LBPRGKRZSA-N 2 1 238.375 1.556 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000925616369 646366052 /nfs/dbraw/zinc/36/60/52/646366052.db2.gz RQZDGJAPXNACRS-LPWJVIDDSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925623131 646370509 /nfs/dbraw/zinc/37/05/09/646370509.db2.gz OYOQWMIQXUICDC-JHJVBQTASA-N 2 1 237.391 1.330 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925641727 646383914 /nfs/dbraw/zinc/38/39/14/646383914.db2.gz AJXAQZWHAPNLTF-GRYCIOLGSA-N 2 1 238.375 1.410 20 0 BDADMP c1cn2c([nH+]1)C[C@@H](N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000925644748 646385277 /nfs/dbraw/zinc/38/52/77/646385277.db2.gz NJPOOYWSZSTQRK-NWDGAFQWSA-N 2 1 246.358 1.072 20 0 BDADMP OCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925648231 646389279 /nfs/dbraw/zinc/38/92/79/646389279.db2.gz RIVQNSRTFWZFBX-NSHDSACASA-N 2 1 224.348 1.023 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000925668886 646399548 /nfs/dbraw/zinc/39/95/48/646399548.db2.gz LIAQFNFYPQSDEP-OUCADQQQSA-N 2 1 246.354 1.893 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925669108 646399836 /nfs/dbraw/zinc/39/98/36/646399836.db2.gz OZRSJGHLGWTCGT-AVGNSLFASA-N 2 1 239.407 1.575 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925690365 646411888 /nfs/dbraw/zinc/41/18/88/646411888.db2.gz JEOVMVQTQLFPCR-WDEREUQCSA-N 3 1 213.369 1.092 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C12CCC2 ZINC000925686737 646413022 /nfs/dbraw/zinc/41/30/22/646413022.db2.gz VYSZZCMBVDJBBG-GRYCIOLGSA-N 2 1 238.375 1.674 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H](C)O ZINC000925689352 646414191 /nfs/dbraw/zinc/41/41/91/646414191.db2.gz IDTKKBRRNRDFGW-OUAUKWLOSA-N 2 1 212.337 1.020 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H](C)O ZINC000925689349 646415439 /nfs/dbraw/zinc/41/54/39/646415439.db2.gz IDTKKBRRNRDFGW-DCAQKATOSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925689532 646417011 /nfs/dbraw/zinc/41/70/11/646417011.db2.gz BLRBEMNOGAAKLZ-GALLPEHLSA-N 3 1 247.386 1.934 20 0 BDADMP CC1(C)C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925697813 646423851 /nfs/dbraw/zinc/42/38/51/646423851.db2.gz AOOUMCQPHXSZGO-LPWJVIDDSA-N 2 1 239.407 1.752 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925697685 646423974 /nfs/dbraw/zinc/42/39/74/646423974.db2.gz HJOHUINQKBAGQL-KWCYVHTRSA-N 3 1 239.407 1.339 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000925703021 646426977 /nfs/dbraw/zinc/42/69/77/646426977.db2.gz RXVZNUVSRMMEJG-UBHSHLNASA-N 2 1 245.370 1.753 20 0 BDADMP Cc1ccncc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925704393 646429613 /nfs/dbraw/zinc/42/96/13/646429613.db2.gz GSLGORJDFDUCQX-AWEZNQCLSA-N 2 1 245.370 1.807 20 0 BDADMP C1=C(CCN[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000925706180 646430972 /nfs/dbraw/zinc/43/09/72/646430972.db2.gz MKMICUMWYNUBQM-CYBMUJFWSA-N 2 1 235.375 1.170 20 0 BDADMP CCC(C)(C)[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925710959 646436447 /nfs/dbraw/zinc/43/64/47/646436447.db2.gz YOQJDKNQFZQARV-MNOVXSKESA-N 2 1 214.353 1.389 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716630 646440772 /nfs/dbraw/zinc/44/07/72/646440772.db2.gz BHGURRQVCOASRR-AVGNSLFASA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716630 646440777 /nfs/dbraw/zinc/44/07/77/646440777.db2.gz BHGURRQVCOASRR-AVGNSLFASA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000925721579 646446083 /nfs/dbraw/zinc/44/60/83/646446083.db2.gz OJODVDLBNKPWKO-XQQFMLRXSA-N 2 1 226.364 1.533 20 0 BDADMP N[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C12CCC2 ZINC000925724931 646450283 /nfs/dbraw/zinc/45/02/83/646450283.db2.gz FUVCYXKFYAEVIC-CYDGBPFRSA-N 2 1 237.391 1.363 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccnn1C ZINC000925726994 646452190 /nfs/dbraw/zinc/45/21/90/646452190.db2.gz BHMRFANKYLYDFP-DLOVCJGASA-N 2 1 234.347 1.341 20 0 BDADMP CC1(C)CO[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925729629 646453514 /nfs/dbraw/zinc/45/35/14/646453514.db2.gz KVHCVQBWNHRAGH-WDEREUQCSA-N 2 1 226.364 1.532 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccns1 ZINC000925733996 646459070 /nfs/dbraw/zinc/45/90/70/646459070.db2.gz YWZHQJJPFITVBO-ZJUUUORDSA-N 2 1 211.334 1.155 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000925760404 646465030 /nfs/dbraw/zinc/46/50/30/646465030.db2.gz MJWDEHFEZYHINM-STQMWFEESA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785954 646465341 /nfs/dbraw/zinc/46/53/41/646465341.db2.gz MMKUJQPCFGIYSN-CKYFFXLPSA-N 2 1 224.373 1.877 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925772917 646474029 /nfs/dbraw/zinc/47/40/29/646474029.db2.gz XQKXVVWSQQYDFY-HZMBPMFUSA-N 2 1 246.358 1.236 20 0 BDADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925782206 646478879 /nfs/dbraw/zinc/47/88/79/646478879.db2.gz INJYJJQXIASWSY-LZQZFOIKSA-N 2 1 226.364 1.243 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccoc1 ZINC000925791159 646485311 /nfs/dbraw/zinc/48/53/11/646485311.db2.gz OETWCHIPVZCHAO-FOGDFJRCSA-N 2 1 208.305 1.786 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(N(C)C)ccn1 ZINC000925813484 646491097 /nfs/dbraw/zinc/49/10/97/646491097.db2.gz TZNNRAVCJGHRKF-GHMZBOCLSA-N 2 1 236.363 1.363 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925829454 646499338 /nfs/dbraw/zinc/49/93/38/646499338.db2.gz BZZIGEGYCKZYAH-IGQOVBAYSA-N 2 1 238.375 1.533 20 0 BDADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000925830444 646499890 /nfs/dbraw/zinc/49/98/90/646499890.db2.gz DVFXRWNLRPQKMM-BIIVOSGPSA-N 2 1 208.227 1.136 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925831012 646501886 /nfs/dbraw/zinc/50/18/86/646501886.db2.gz LOFRSAPALZGQAS-BJJPWKGXSA-N 2 1 236.359 1.165 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)nn1C ZINC000925835765 646502672 /nfs/dbraw/zinc/50/26/72/646502672.db2.gz VMYHLRYSBAEIII-AAEUAGOBSA-N 2 1 236.363 1.001 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)nn1C ZINC000925835766 646502978 /nfs/dbraw/zinc/50/29/78/646502978.db2.gz VMYHLRYSBAEIII-DGCLKSJQSA-N 2 1 236.363 1.001 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)nn1C ZINC000925835767 646503430 /nfs/dbraw/zinc/50/34/30/646503430.db2.gz VMYHLRYSBAEIII-WCQYABFASA-N 2 1 236.363 1.001 20 0 BDADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccnn1C ZINC000925839676 646506507 /nfs/dbraw/zinc/50/65/07/646506507.db2.gz IYHQGFCWAYSWQW-IACUBPJLSA-N 2 1 248.374 1.603 20 0 BDADMP CC[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925850706 646509701 /nfs/dbraw/zinc/50/97/01/646509701.db2.gz VZHCZLVVWVTEIK-CYBMUJFWSA-N 2 1 227.396 1.450 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000925853971 646511332 /nfs/dbraw/zinc/51/13/32/646511332.db2.gz DCZYVPFRNBHNNV-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000925853965 646511460 /nfs/dbraw/zinc/51/14/60/646511460.db2.gz DCZYVPFRNBHNNV-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CCS1 ZINC000925862264 646514456 /nfs/dbraw/zinc/51/44/56/646514456.db2.gz ZIDQWSIVVADDMC-KKOKHZNYSA-N 2 1 228.405 1.858 20 0 BDADMP CCCN1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925876640 646527771 /nfs/dbraw/zinc/52/77/71/646527771.db2.gz CYTBAKPTNLCXEQ-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000925879437 646529273 /nfs/dbraw/zinc/52/92/73/646529273.db2.gz DQRJBHLWWIPZSG-DRABBMOASA-N 2 1 245.370 1.848 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000925881210 646530505 /nfs/dbraw/zinc/53/05/05/646530505.db2.gz ZHFKDZQTKKILPF-HOSYDEDBSA-N 2 1 234.347 1.504 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC1CCC1 ZINC000925893221 646534441 /nfs/dbraw/zinc/53/44/41/646534441.db2.gz APQIYEVVNMUVDK-ONXXMXGDSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926174124 646588258 /nfs/dbraw/zinc/58/82/58/646588258.db2.gz PVQUMCLOKMZEEX-TZMCWYRMSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926174124 646588259 /nfs/dbraw/zinc/58/82/59/646588259.db2.gz PVQUMCLOKMZEEX-TZMCWYRMSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(C)O ZINC000926211732 646590990 /nfs/dbraw/zinc/59/09/90/646590990.db2.gz FZHQQXBRWREJJN-FOSCPWQOSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000926259820 646606907 /nfs/dbraw/zinc/60/69/07/646606907.db2.gz QHHHUQAJSWHFGA-JABUTEAWSA-N 2 1 238.375 1.077 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCSC1 ZINC000926323562 646615840 /nfs/dbraw/zinc/61/58/40/646615840.db2.gz JOUVYWDZSKWCSP-FKJOKYEKSA-N 2 1 240.416 1.669 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723679393 711534094 /nfs/dbraw/zinc/53/40/94/711534094.db2.gz BSSQBUWQENQVGA-LBPRGKRZSA-N 2 1 236.363 1.635 20 0 BDADMP CCC[NH+](CCC)C[C@@H](O)C[NH+]1CCCC1 ZINC000393820660 711678920 /nfs/dbraw/zinc/67/89/20/711678920.db2.gz RMRBAAOZWVGFLM-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP COC/C(C)=C\C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930555337 711696946 /nfs/dbraw/zinc/69/69/46/711696946.db2.gz MFTOZBUEUAYOLV-YLIUPVCFSA-N 2 1 238.375 1.607 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396691873 711703300 /nfs/dbraw/zinc/70/33/00/711703300.db2.gz LGQQHAGRFXYFRV-SRVKXCTJSA-N 2 1 214.353 1.125 20 0 BDADMP CC[N@H+](CC[NH2+][C@H](C)C(C)(C)CO)C(C)C ZINC000924909603 711765769 /nfs/dbraw/zinc/76/57/69/711765769.db2.gz OXQRKAWHAMZXPZ-GFCCVEGCSA-N 2 1 230.396 1.713 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H](C)C(C)(C)CO)C(C)C ZINC000924909603 711765770 /nfs/dbraw/zinc/76/57/70/711765770.db2.gz OXQRKAWHAMZXPZ-GFCCVEGCSA-N 2 1 230.396 1.713 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000701713088 711862421 /nfs/dbraw/zinc/86/24/21/711862421.db2.gz CFPXIVCRPJJGNG-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)C(C)C ZINC000721911480 711917525 /nfs/dbraw/zinc/91/75/25/711917525.db2.gz JNJLPEZPBFLJIM-AGIUHOORSA-N 2 1 228.380 1.574 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721913910 711918479 /nfs/dbraw/zinc/91/84/79/711918479.db2.gz QQKQFULMHPWAHT-MCIONIFRSA-N 2 1 242.407 1.964 20 0 BDADMP Cc1cc(N[C@@H]2C[NH2+]CC2(C)C)nc(C)[nH+]1 ZINC000721937076 711941114 /nfs/dbraw/zinc/94/11/14/711941114.db2.gz DMPGBMQLQIRTLB-SNVBAGLBSA-N 2 1 220.320 1.503 20 0 BDADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703805562 712089085 /nfs/dbraw/zinc/08/90/85/712089085.db2.gz KVCZRISKPQVIQY-WODVXLOZSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695308 712216366 /nfs/dbraw/zinc/21/63/66/712216366.db2.gz DRPMNHPJKOARAT-MNOVXSKESA-N 2 1 228.380 1.859 20 0 BDADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710756978 712256175 /nfs/dbraw/zinc/25/61/75/712256175.db2.gz AQTMUBWYQSYQHC-GFCCVEGCSA-N 2 1 243.395 1.352 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711090271 712279452 /nfs/dbraw/zinc/27/94/52/712279452.db2.gz MQSAZQGDPKHXDH-RNJOBUHISA-N 2 1 226.364 1.077 20 0 BDADMP C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000711531568 712309801 /nfs/dbraw/zinc/30/98/01/712309801.db2.gz AEVNSRHOXCDYJR-BETUJISGSA-N 2 1 240.416 1.671 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711540234 712309908 /nfs/dbraw/zinc/30/99/08/712309908.db2.gz DTUIQWFTFMKTHT-KXNHARMFSA-N 2 1 226.389 1.137 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOC3CC3)C[C@H]21 ZINC000711759913 712326490 /nfs/dbraw/zinc/32/64/90/712326490.db2.gz RDTWSYXHIUGQJA-RAIGVLPGSA-N 2 1 224.348 1.225 20 0 BDADMP C[N@H+](C[C@H]1CCC(C)(C)CO1)[C@@H](C[NH3+])C1CC1 ZINC000713585662 712466252 /nfs/dbraw/zinc/46/62/52/712466252.db2.gz KNYZTWYWMKYUAF-OLZOCXBDSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+](C[C@H]1CCC(C)(C)CO1)[C@@H](C[NH3+])C1CC1 ZINC000713585662 712466253 /nfs/dbraw/zinc/46/62/53/712466253.db2.gz KNYZTWYWMKYUAF-OLZOCXBDSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714831018 712500975 /nfs/dbraw/zinc/50/09/75/712500975.db2.gz NAMANZCZXPUQLW-SQNXGDPESA-N 2 1 208.349 1.844 20 0 BDADMP Cc1c[nH]nc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000715420744 712518294 /nfs/dbraw/zinc/51/82/94/712518294.db2.gz ABVOPYIEVUJISF-UHFFFAOYSA-N 2 1 222.336 1.420 20 0 BDADMP Cc1cn[nH]c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000715420744 712518295 /nfs/dbraw/zinc/51/82/95/712518295.db2.gz ABVOPYIEVUJISF-UHFFFAOYSA-N 2 1 222.336 1.420 20 0 BDADMP Cc1cn[nH]c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000715420744 712518296 /nfs/dbraw/zinc/51/82/96/712518296.db2.gz ABVOPYIEVUJISF-UHFFFAOYSA-N 2 1 222.336 1.420 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715503838 712523775 /nfs/dbraw/zinc/52/37/75/712523775.db2.gz RJWDVNGCTHMBIL-UHTWSYAYSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717613953 712662558 /nfs/dbraw/zinc/66/25/58/712662558.db2.gz JQMXOKUVNIQWOD-SRVKXCTJSA-N 2 1 226.364 1.532 20 0 BDADMP Cc1coc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000718121811 712745472 /nfs/dbraw/zinc/74/54/72/712745472.db2.gz DSDQXVINEIFNMT-UHFFFAOYSA-N 2 1 219.288 1.654 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000719784575 712824469 /nfs/dbraw/zinc/82/44/69/712824469.db2.gz YEFMIQMVZKJQRC-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719849829 712825817 /nfs/dbraw/zinc/82/58/17/712825817.db2.gz ZSJMUNPPKBRWMA-NSHDSACASA-N 2 1 239.388 1.746 20 0 BDADMP c1cc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)sn1 ZINC000719846203 712825998 /nfs/dbraw/zinc/82/59/98/712825998.db2.gz UDRRTFOJAOGSCD-LBPRGKRZSA-N 2 1 237.372 1.371 20 0 BDADMP c1cc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)sn1 ZINC000719846203 712825999 /nfs/dbraw/zinc/82/59/99/712825999.db2.gz UDRRTFOJAOGSCD-LBPRGKRZSA-N 2 1 237.372 1.371 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000381389603 710632197 /nfs/dbraw/zinc/63/21/97/710632197.db2.gz MZYLZUBJAWALIE-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000381431302 710636192 /nfs/dbraw/zinc/63/61/92/710636192.db2.gz BPEDKULMRUURPF-OLZOCXBDSA-N 2 1 226.364 1.221 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000721909016 710690596 /nfs/dbraw/zinc/69/05/96/710690596.db2.gz WJYYQMGILLORJP-BETUJISGSA-N 2 1 238.375 1.487 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000721767210 710685608 /nfs/dbraw/zinc/68/56/08/710685608.db2.gz FKGQIYREGLFNSS-RDBSUJKOSA-N 2 1 242.407 1.822 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C(C)(C)O)C2)CC1 ZINC000721772818 710685972 /nfs/dbraw/zinc/68/59/72/710685972.db2.gz NNCQXNZHRHLQMJ-CYBMUJFWSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723881608 710732906 /nfs/dbraw/zinc/73/29/06/710732906.db2.gz BIIAZCLBUXWEIC-GHMZBOCLSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723881608 710732910 /nfs/dbraw/zinc/73/29/10/710732910.db2.gz BIIAZCLBUXWEIC-GHMZBOCLSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723881608 710732913 /nfs/dbraw/zinc/73/29/13/710732913.db2.gz BIIAZCLBUXWEIC-GHMZBOCLSA-N 2 1 222.336 1.135 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000382056250 710769970 /nfs/dbraw/zinc/76/99/70/710769970.db2.gz BOKQLDPGRBMCSZ-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000382082784 710774907 /nfs/dbraw/zinc/77/49/07/710774907.db2.gz FLVQEALGOUYJNN-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000382082784 710774913 /nfs/dbraw/zinc/77/49/13/710774913.db2.gz FLVQEALGOUYJNN-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000133072465 710968306 /nfs/dbraw/zinc/96/83/06/710968306.db2.gz DPEXAQLYRZTICS-WOPDTQHZSA-N 2 1 228.405 1.941 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)OC ZINC000383091272 710977387 /nfs/dbraw/zinc/97/73/87/710977387.db2.gz LJMJWBOQNRJIFS-VPCRRHSYSA-N 2 1 238.375 1.388 20 0 BDADMP c1cncc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000385619302 711016375 /nfs/dbraw/zinc/01/63/75/711016375.db2.gz PSRGNPYXLUGCPE-LXFSFDBISA-N 2 1 243.354 1.210 20 0 BDADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)O ZINC000386796073 711037129 /nfs/dbraw/zinc/03/71/29/711037129.db2.gz PFZSUTHMTQJBBA-JVGWCMFKSA-N 2 1 226.364 1.361 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1C ZINC000380718654 712902855 /nfs/dbraw/zinc/90/28/55/712902855.db2.gz GJBUSZXMCDGGAY-VGMNWLOBSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1C ZINC000380718654 712902856 /nfs/dbraw/zinc/90/28/56/712902856.db2.gz GJBUSZXMCDGGAY-VGMNWLOBSA-N 2 1 206.280 1.699 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cccnc32)CC1 ZINC000392236061 711143293 /nfs/dbraw/zinc/14/32/93/711143293.db2.gz FUWSDIPBSMOEPT-AWEZNQCLSA-N 2 1 243.354 1.920 20 0 BDADMP O=c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc[nH]1 ZINC000392753306 711151859 /nfs/dbraw/zinc/15/18/59/711151859.db2.gz KSNBMYFPTIFMRG-STQMWFEESA-N 2 1 247.342 1.504 20 0 BDADMP O=c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc[nH]1 ZINC000392753306 711151873 /nfs/dbraw/zinc/15/18/73/711151873.db2.gz KSNBMYFPTIFMRG-STQMWFEESA-N 2 1 247.342 1.504 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1CCO ZINC000395405900 711209591 /nfs/dbraw/zinc/20/95/91/711209591.db2.gz VNXYDNBKFCAAKD-ZDUSSCGKSA-N 2 1 228.380 1.742 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC(C)(C)C1 ZINC000395400682 711210703 /nfs/dbraw/zinc/21/07/03/711210703.db2.gz GMNNIXCBMINUDI-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC(C)(C)C1 ZINC000395400682 711210705 /nfs/dbraw/zinc/21/07/05/711210705.db2.gz GMNNIXCBMINUDI-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000396622158 711361484 /nfs/dbraw/zinc/36/14/84/711361484.db2.gz HVRIGPUELPICKZ-FZMZJTMJSA-N 2 1 234.343 1.665 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)OC ZINC000396549623 711353953 /nfs/dbraw/zinc/35/39/53/711353953.db2.gz DGAXOYFPMMRUMD-HBNTYKKESA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000396570267 711354438 /nfs/dbraw/zinc/35/44/38/711354438.db2.gz AJWPNBWJWKPXCO-RNJOBUHISA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000396613402 711361885 /nfs/dbraw/zinc/36/18/85/711361885.db2.gz RQZDGJAPXNACRS-WTIISPKJSA-N 2 1 226.364 1.268 20 0 BDADMP COCCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396580108 711356806 /nfs/dbraw/zinc/35/68/06/711356806.db2.gz FAQYQUOZNONOTB-RYUDHWBXSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1nccs1 ZINC000396586565 711356909 /nfs/dbraw/zinc/35/69/09/711356909.db2.gz HURBMGHXMWMINT-MNOVXSKESA-N 2 1 239.388 1.806 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000396581836 711357114 /nfs/dbraw/zinc/35/71/14/711357114.db2.gz FQTWMVDNJJIFJR-YPMHNXCESA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000396604319 711358356 /nfs/dbraw/zinc/35/83/56/711358356.db2.gz IAHOHOVKBPHSHB-FDYHWXHSSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000396611742 711358772 /nfs/dbraw/zinc/35/87/72/711358772.db2.gz RCVPPPBLOSLYHS-JQWIXIFHSA-N 2 1 212.337 1.143 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000398144687 711403309 /nfs/dbraw/zinc/40/33/09/711403309.db2.gz XGAVMIMGVPEBHL-OLZOCXBDSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC(F)F ZINC000398185533 711404154 /nfs/dbraw/zinc/40/41/54/711404154.db2.gz OMPLBVDEVJZRDC-HTQZYQBOSA-N 2 1 208.252 1.037 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOC(F)F ZINC000398185533 711404157 /nfs/dbraw/zinc/40/41/57/711404157.db2.gz OMPLBVDEVJZRDC-HTQZYQBOSA-N 2 1 208.252 1.037 20 0 BDADMP C[C@H]1COCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000399302351 711426795 /nfs/dbraw/zinc/42/67/95/711426795.db2.gz JKWQUYJVYYQNOQ-GFCCVEGCSA-N 2 1 226.364 1.344 20 0 BDADMP COC[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721917002 710692041 /nfs/dbraw/zinc/69/20/41/710692041.db2.gz HDPRWQHSSZTKHC-SRVKXCTJSA-N 2 1 214.353 1.327 20 0 BDADMP COC[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721917002 710692043 /nfs/dbraw/zinc/69/20/43/710692043.db2.gz HDPRWQHSSZTKHC-SRVKXCTJSA-N 2 1 214.353 1.327 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000721961596 710693608 /nfs/dbraw/zinc/69/36/08/710693608.db2.gz FJALMLZKOAYDCS-ZIAGYGMSSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000396677560 711364094 /nfs/dbraw/zinc/36/40/94/711364094.db2.gz UIESNTGEWLZANM-NWDGAFQWSA-N 2 1 228.380 1.515 20 0 BDADMP Cc1nc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cs1 ZINC000396673910 711364804 /nfs/dbraw/zinc/36/48/04/711364804.db2.gz RVYDEJFICNANTD-BXKDBHETSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000396680935 711365288 /nfs/dbraw/zinc/36/52/88/711365288.db2.gz VVITZNXQIVCNFB-SDDRHHMPSA-N 2 1 210.321 1.409 20 0 BDADMP CCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)COC1 ZINC000396705448 711365865 /nfs/dbraw/zinc/36/58/65/711365865.db2.gz JCKKCYKUPOWCMF-WDEREUQCSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396711685 711367239 /nfs/dbraw/zinc/36/72/39/711367239.db2.gz RCFMYWOFEQKQKG-VXGBXAGGSA-N 2 1 213.369 1.057 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCn1cccn1 ZINC000396732380 711368679 /nfs/dbraw/zinc/36/86/79/711368679.db2.gz ZJQIUIFNHDEJAT-NWDGAFQWSA-N 2 1 222.336 1.003 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CC2CCC1CC2 ZINC000399964086 711437998 /nfs/dbraw/zinc/43/79/98/711437998.db2.gz BYENNLGWFCTTRO-JXQTWKCFSA-N 2 1 240.391 1.720 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000723054191 711497667 /nfs/dbraw/zinc/49/76/67/711497667.db2.gz CLUMBBOBPNBVRR-MROQNXINSA-N 2 1 208.349 1.574 20 0 BDADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723647892 711530201 /nfs/dbraw/zinc/53/02/01/711530201.db2.gz SIYGGLDMNWIWJW-IGQOVBAYSA-N 2 1 238.375 1.533 20 0 BDADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000891475239 711532198 /nfs/dbraw/zinc/53/21/98/711532198.db2.gz DVJUCDYPCUWVDH-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000723701826 711535544 /nfs/dbraw/zinc/53/55/44/711535544.db2.gz RQCWASRWUXSKQO-TZMCWYRMSA-N 2 1 234.343 1.391 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000723709266 711535833 /nfs/dbraw/zinc/53/58/33/711535833.db2.gz NJDOMGFIGZDQEQ-GHMZBOCLSA-N 2 1 214.378 1.410 20 0 BDADMP CCCCOC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712653 711535720 /nfs/dbraw/zinc/53/57/20/711535720.db2.gz PDBRGPYLBDIGFJ-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP C[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1CC[NH3+] ZINC000723881621 711543515 /nfs/dbraw/zinc/54/35/15/711543515.db2.gz BSOMQALPXNFVMG-AXBRGNRRSA-N 2 1 202.729 1.656 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894190 711544178 /nfs/dbraw/zinc/54/41/78/711544178.db2.gz JDVFJNNOGKAFCA-ZIAGYGMSSA-N 2 1 242.407 1.966 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000723899400 711544825 /nfs/dbraw/zinc/54/48/25/711544825.db2.gz BTXUOAJNESGWTM-DGCLKSJQSA-N 2 1 249.358 1.507 20 0 BDADMP CCOCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907357 711545189 /nfs/dbraw/zinc/54/51/89/711545189.db2.gz AFEQDKMIYCNYKZ-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000382658242 711546888 /nfs/dbraw/zinc/54/68/88/711546888.db2.gz MKGRJSVJBRMZFX-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000382658242 711546890 /nfs/dbraw/zinc/54/68/90/711546890.db2.gz MKGRJSVJBRMZFX-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000382658245 711547069 /nfs/dbraw/zinc/54/70/69/711547069.db2.gz MKGRJSVJBRMZFX-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000382658245 711547071 /nfs/dbraw/zinc/54/70/71/711547071.db2.gz MKGRJSVJBRMZFX-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCC[NH2+]C1CC1 ZINC000724177175 711567168 /nfs/dbraw/zinc/56/71/68/711567168.db2.gz BULJQMNRPBEHRN-NEPJUHHUSA-N 2 1 212.337 1.238 20 0 BDADMP OCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925528360 711697888 /nfs/dbraw/zinc/69/78/88/711697888.db2.gz DPPYDLCUCPKPCU-LLVKDONJSA-N 2 1 224.348 1.023 20 0 BDADMP COC[C@@H](C[N@H+]1CC2CC1(C[NH3+])C2)C(C)C ZINC000721709127 711707183 /nfs/dbraw/zinc/70/71/83/711707183.db2.gz UXGUXUUENZEUFY-OTTFEQOBSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000925711352 711711353 /nfs/dbraw/zinc/71/13/53/711711353.db2.gz MUEKDYJCQJPCDP-NEPJUHHUSA-N 3 1 213.369 1.236 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313147693 711713977 /nfs/dbraw/zinc/71/39/77/711713977.db2.gz SVKKGPINQDGLAT-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257650797 711722949 /nfs/dbraw/zinc/72/29/49/711722949.db2.gz DIEQSBGPIREFER-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@H]1CC[NH2+]C1 ZINC000925879582 711761920 /nfs/dbraw/zinc/76/19/20/711761920.db2.gz ABLVSHYPIHZQJM-DZGCQCFKSA-N 2 1 246.354 1.642 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNc1cc(C)[nH+]c(N)n1 ZINC000038764567 711762239 /nfs/dbraw/zinc/76/22/39/711762239.db2.gz YZAUNOQEFWSPSK-JTQLQIEISA-N 2 1 235.335 1.263 20 0 BDADMP Cc1cc[nH+]c(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000896914942 711783981 /nfs/dbraw/zinc/78/39/81/711783981.db2.gz RCXNXCPAEQKIRS-OCCSQVGLSA-N 2 1 231.343 1.778 20 0 BDADMP Cc1cc[nH+]c(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000896914942 711783982 /nfs/dbraw/zinc/78/39/82/711783982.db2.gz RCXNXCPAEQKIRS-OCCSQVGLSA-N 2 1 231.343 1.778 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396711684 711798028 /nfs/dbraw/zinc/79/80/28/711798028.db2.gz RCFMYWOFEQKQKG-RYUDHWBXSA-N 2 1 213.369 1.057 20 0 BDADMP COC[C@H](C[N@@H+](C)C[C@@H](C)[NH3+])C(C)C ZINC000721962571 711843163 /nfs/dbraw/zinc/84/31/63/711843163.db2.gz HKAUGKIRSKGWAQ-MNOVXSKESA-N 2 1 202.342 1.184 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](COC)C(C)C ZINC000721913692 711918273 /nfs/dbraw/zinc/91/82/73/711918273.db2.gz PNDKXAUZESOYRG-OLZOCXBDSA-N 2 1 228.380 1.589 20 0 BDADMP COC[C@@H](C[N@@H+](C)C1CC([NH3+])C1)C(C)C ZINC000721921394 711937216 /nfs/dbraw/zinc/93/72/16/711937216.db2.gz RNRACCWYBVBHBP-VOMCLLRMSA-N 2 1 214.353 1.327 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000423445149 711958173 /nfs/dbraw/zinc/95/81/73/711958173.db2.gz XNYWGVQHWJXOJZ-CMPLNLGQSA-N 2 1 236.363 1.894 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCCOCC1 ZINC000700257778 711989426 /nfs/dbraw/zinc/98/94/26/711989426.db2.gz RBVOUCKZLJNXGM-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CSC1 ZINC000700434777 711993559 /nfs/dbraw/zinc/99/35/59/711993559.db2.gz RYLBGSNBWQJZHG-UHFFFAOYSA-N 2 1 226.389 1.566 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700788969 712004839 /nfs/dbraw/zinc/00/48/39/712004839.db2.gz SKVTVEUBXNAZTB-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700809945 712006764 /nfs/dbraw/zinc/00/67/64/712006764.db2.gz WSCBSMWBDHEBSF-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C1=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000702347291 712045985 /nfs/dbraw/zinc/04/59/85/712045985.db2.gz WOLICNDJBJYWIV-MEBFFEOJSA-N 2 1 218.344 1.683 20 0 BDADMP C[NH+]1CCC([NH2+]CC2SCCS2)CC1 ZINC000703133180 712067351 /nfs/dbraw/zinc/06/73/51/712067351.db2.gz XXBMFYUUIFHUNT-UHFFFAOYSA-N 2 1 232.418 1.476 20 0 BDADMP C[NH+]1CCC([NH2+]CCC2SCCS2)CC1 ZINC000703396613 712075477 /nfs/dbraw/zinc/07/54/77/712075477.db2.gz KPVFFJFNLQCDOP-UHFFFAOYSA-N 2 1 246.445 1.866 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC(OC)C2)CC[C@H]1[NH3+] ZINC000703909246 712093791 /nfs/dbraw/zinc/09/37/91/712093791.db2.gz YLSAMDBBCMMBOZ-PYNQCMFNSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCC[NH+](C)C1 ZINC000705137187 712122513 /nfs/dbraw/zinc/12/25/13/712122513.db2.gz VKLIOAAUONOGDP-RDBSUJKOSA-N 3 1 239.407 1.387 20 0 BDADMP C[NH+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCC[N@H+](C)C1 ZINC000705137187 712122515 /nfs/dbraw/zinc/12/25/15/712122515.db2.gz VKLIOAAUONOGDP-RDBSUJKOSA-N 3 1 239.407 1.387 20 0 BDADMP C[NH+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000705137187 712122517 /nfs/dbraw/zinc/12/25/17/712122517.db2.gz VKLIOAAUONOGDP-RDBSUJKOSA-N 3 1 239.407 1.387 20 0 BDADMP CN1CCC[C@H](C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000705137187 712122518 /nfs/dbraw/zinc/12/25/18/712122518.db2.gz VKLIOAAUONOGDP-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP CN1CCC[C@H](C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000705137187 712122520 /nfs/dbraw/zinc/12/25/20/712122520.db2.gz VKLIOAAUONOGDP-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP CC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705661421 712135010 /nfs/dbraw/zinc/13/50/10/712135010.db2.gz ZZAKUFFYOFMEAL-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705661421 712135012 /nfs/dbraw/zinc/13/50/12/712135012.db2.gz ZZAKUFFYOFMEAL-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705661421 712135014 /nfs/dbraw/zinc/13/50/14/712135014.db2.gz ZZAKUFFYOFMEAL-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705661421 712135015 /nfs/dbraw/zinc/13/50/15/712135015.db2.gz ZZAKUFFYOFMEAL-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000707632865 712176086 /nfs/dbraw/zinc/17/60/86/712176086.db2.gz CCDKOWLBXVGUJH-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000707874145 712180225 /nfs/dbraw/zinc/18/02/25/712180225.db2.gz ZZAKUFFYOFMEAL-JHJVBQTASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC000708343021 712189488 /nfs/dbraw/zinc/18/94/88/712189488.db2.gz YJFIASRMCMHGJP-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH3+])C1 ZINC000709574200 712224912 /nfs/dbraw/zinc/22/49/12/712224912.db2.gz JPYAZOUPGZGQSL-MRVPVSSYSA-N 2 1 210.243 1.610 20 0 BDADMP CCOCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709777341 712226233 /nfs/dbraw/zinc/22/62/33/712226233.db2.gz GKVABLRCVZSDIL-CYBMUJFWSA-N 2 1 226.364 1.489 20 0 BDADMP CCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709803079 712227331 /nfs/dbraw/zinc/22/73/31/712227331.db2.gz ZXCWNTKJODCNTA-RKDXNWHRSA-N 2 1 240.269 1.092 20 0 BDADMP CCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709803079 712227332 /nfs/dbraw/zinc/22/73/32/712227332.db2.gz ZXCWNTKJODCNTA-RKDXNWHRSA-N 2 1 240.269 1.092 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCF)C2 ZINC000709823617 712228868 /nfs/dbraw/zinc/22/88/68/712228868.db2.gz QVBBWJAUFINITJ-SRVKXCTJSA-N 2 1 214.328 1.938 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](CCCCO)CC1 ZINC000709844654 712229335 /nfs/dbraw/zinc/22/93/35/712229335.db2.gz WTLRKMRRVDRFHV-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP C(COC1CCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000709834463 712229369 /nfs/dbraw/zinc/22/93/69/712229369.db2.gz HTEVVNCHNPOFHS-UHFFFAOYSA-N 2 1 238.375 1.772 20 0 BDADMP c1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)sn1 ZINC000709867818 712229839 /nfs/dbraw/zinc/22/98/39/712229839.db2.gz FHHVGXIJVIOPPM-XZPDDHLCSA-N 2 1 249.383 1.272 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000709892624 712231417 /nfs/dbraw/zinc/23/14/17/712231417.db2.gz NSBQTRIWCRLVKB-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccns1 ZINC000709966613 712235034 /nfs/dbraw/zinc/23/50/34/712235034.db2.gz JTHMPLKCRGJIAO-UWVGGRQHSA-N 2 1 225.361 1.497 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccns1 ZINC000709966613 712235036 /nfs/dbraw/zinc/23/50/36/712235036.db2.gz JTHMPLKCRGJIAO-UWVGGRQHSA-N 2 1 225.361 1.497 20 0 BDADMP FCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000710260536 712249743 /nfs/dbraw/zinc/24/97/43/712249743.db2.gz HRSCTLDXZXYROF-LBPRGKRZSA-N 2 1 214.328 1.668 20 0 BDADMP C[N@H+](CCCCCC[NH3+])Cc1ncc[nH]1 ZINC000710713384 712254694 /nfs/dbraw/zinc/25/46/94/712254694.db2.gz IBICFXRKSSBESE-UHFFFAOYSA-N 2 1 210.325 1.361 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1ncc[nH]1 ZINC000710713384 712254695 /nfs/dbraw/zinc/25/46/95/712254695.db2.gz IBICFXRKSSBESE-UHFFFAOYSA-N 2 1 210.325 1.361 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1N ZINC000711083261 712279053 /nfs/dbraw/zinc/27/90/53/712279053.db2.gz UBGLBTGGZJJULB-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711090272 712279619 /nfs/dbraw/zinc/27/96/19/712279619.db2.gz MQSAZQGDPKHXDH-YVECIDJPSA-N 2 1 226.364 1.077 20 0 BDADMP FC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000711443297 712300985 /nfs/dbraw/zinc/30/09/85/712300985.db2.gz MHZLWTOKOSMYRS-GFCCVEGCSA-N 2 1 214.328 1.668 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](CF)C2)C1 ZINC000711457492 712304594 /nfs/dbraw/zinc/30/45/94/712304594.db2.gz VQFBPCXKTKMEJH-HBNTYKKESA-N 2 1 200.301 1.405 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711753408 712325130 /nfs/dbraw/zinc/32/51/30/712325130.db2.gz QNMVZSVQXZTKEY-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480099 712334299 /nfs/dbraw/zinc/33/42/99/712334299.db2.gz FJLZXMWIJQSMPA-JTQLQIEISA-N 2 1 223.320 1.408 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923480283 712334724 /nfs/dbraw/zinc/33/47/24/712334724.db2.gz WLGRRKUBOILWBH-CABCVRRESA-N 2 1 248.370 1.261 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000379007784 712367641 /nfs/dbraw/zinc/36/76/41/712367641.db2.gz IFYCWOKJZFYWCS-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](CO)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000379007784 712367643 /nfs/dbraw/zinc/36/76/43/712367643.db2.gz IFYCWOKJZFYWCS-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCOC1 ZINC000379763440 712397923 /nfs/dbraw/zinc/39/79/23/712397923.db2.gz FTOCZDNIESVFPK-AGUYFDCRSA-N 2 1 236.359 1.677 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1=CCCOC1 ZINC000379763440 712397924 /nfs/dbraw/zinc/39/79/24/712397924.db2.gz FTOCZDNIESVFPK-AGUYFDCRSA-N 2 1 236.359 1.677 20 0 BDADMP C[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000379787189 712399377 /nfs/dbraw/zinc/39/93/77/712399377.db2.gz IENXQESMUOOYPU-ZZIFITQXSA-N 2 1 208.349 2.000 20 0 BDADMP Cn1cc(CC[N@@H+]2CC[NH2+]CCC2(C)C)cn1 ZINC000712559579 712445958 /nfs/dbraw/zinc/44/59/58/712445958.db2.gz ZKHDDBLIGZELKU-UHFFFAOYSA-N 2 1 236.363 1.037 20 0 BDADMP Cn1cc(CC[N@H+]2CC[NH2+]CCC2(C)C)cn1 ZINC000712559579 712445959 /nfs/dbraw/zinc/44/59/59/712445959.db2.gz ZKHDDBLIGZELKU-UHFFFAOYSA-N 2 1 236.363 1.037 20 0 BDADMP Cc1cc(NC[C@@H]2CC[N@H+]2C)nc(C)[nH+]1 ZINC000712568946 712446896 /nfs/dbraw/zinc/44/68/96/712446896.db2.gz HJNDPEABICMGKU-JTQLQIEISA-N 2 1 206.293 1.209 20 0 BDADMP Cc1cc(NC[C@@H]2CC[N@@H+]2C)nc(C)[nH+]1 ZINC000712568946 712446898 /nfs/dbraw/zinc/44/68/98/712446898.db2.gz HJNDPEABICMGKU-JTQLQIEISA-N 2 1 206.293 1.209 20 0 BDADMP Cc1[nH+]ccc(NC[C@@H]2CC[N@H+]2C)c1Cl ZINC000712576986 712448286 /nfs/dbraw/zinc/44/82/86/712448286.db2.gz CZQRZJVCWOHUQZ-VIFPVBQESA-N 2 1 225.723 1.581 20 0 BDADMP Cc1[nH+]ccc(NC[C@@H]2CC[N@@H+]2C)c1Cl ZINC000712576986 712448287 /nfs/dbraw/zinc/44/82/87/712448287.db2.gz CZQRZJVCWOHUQZ-VIFPVBQESA-N 2 1 225.723 1.581 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713215135 712455122 /nfs/dbraw/zinc/45/51/22/712455122.db2.gz FYZUYFQDFXNQPN-ZDUSSCGKSA-N 2 1 238.375 1.774 20 0 BDADMP FC(F)(F)OCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000713399376 712459103 /nfs/dbraw/zinc/45/91/03/712459103.db2.gz YGRFLVHOPHBGCT-IUCAKERBSA-N 2 1 238.253 1.064 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713584356 712466316 /nfs/dbraw/zinc/46/63/16/712466316.db2.gz DQEYHUSJULYXJT-XQQFMLRXSA-N 2 1 240.391 1.861 20 0 BDADMP C=C/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713730724 712470553 /nfs/dbraw/zinc/47/05/53/712470553.db2.gz DLMUEUHBZWSQFT-JXLSXLBDSA-N 2 1 206.333 1.945 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713730724 712470554 /nfs/dbraw/zinc/47/05/54/712470554.db2.gz DLMUEUHBZWSQFT-JXLSXLBDSA-N 2 1 206.333 1.945 20 0 BDADMP CCC1([NH3+])CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000714756749 712497688 /nfs/dbraw/zinc/49/76/88/712497688.db2.gz FYYPAIVRNPTBOJ-UHFFFAOYSA-N 2 1 236.363 1.432 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714831018 712500972 /nfs/dbraw/zinc/50/09/72/712500972.db2.gz NAMANZCZXPUQLW-SQNXGDPESA-N 2 1 208.349 1.844 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715434022 712518969 /nfs/dbraw/zinc/51/89/69/712518969.db2.gz FGBUQCDKJKGHSQ-MRVWCRGKSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC[C@H]1[NH3+] ZINC000715479658 712520681 /nfs/dbraw/zinc/52/06/81/712520681.db2.gz HWNYQVHBMHWCHG-YXCITZCRSA-N 2 1 238.375 1.613 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000716445280 712561280 /nfs/dbraw/zinc/56/12/80/712561280.db2.gz CZNHDFDBPUGXTQ-SNVBAGLBSA-N 2 1 222.336 1.196 20 0 BDADMP C[N@@H+](CCCF)C[C@@]1(C)CCC[NH2+]C1 ZINC000716754738 712572337 /nfs/dbraw/zinc/57/23/37/712572337.db2.gz VXLDGKOVBYRILU-NSHDSACASA-N 2 1 202.317 1.668 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718157832 712749794 /nfs/dbraw/zinc/74/97/94/712749794.db2.gz WZEXFDUIPOXQHW-TXEJJXNPSA-N 2 1 212.337 1.084 20 0 BDADMP COCC(C)(C)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000718765484 712782010 /nfs/dbraw/zinc/78/20/10/712782010.db2.gz USUNCXWFBZEDNK-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)cc[nH+]1 ZINC000719571302 712811373 /nfs/dbraw/zinc/81/13/73/712811373.db2.gz SBVQACKUBZBOGD-JQWIXIFHSA-N 2 1 205.305 1.316 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)nc(C)n1 ZINC000719597729 712813537 /nfs/dbraw/zinc/81/35/37/712813537.db2.gz DWDXHAYWEUUXRL-KOLCDFICSA-N 2 1 220.320 1.598 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2ccns2)C1 ZINC000719831464 712823779 /nfs/dbraw/zinc/82/37/79/712823779.db2.gz KROVBEVKYCLBTR-LLVKDONJSA-N 2 1 225.361 1.356 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719824176 712823933 /nfs/dbraw/zinc/82/39/33/712823933.db2.gz ZXMURKDOCKXGSE-KZWUZSNJSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@H+](CCc1ccns1)C1CC([NH3+])C1 ZINC000719871313 712824826 /nfs/dbraw/zinc/82/48/26/712824826.db2.gz JEKCNZIMVOCEGB-UHFFFAOYSA-N 2 1 211.334 1.107 20 0 BDADMP C[N@@H+](CCc1ccns1)C1CC([NH3+])C1 ZINC000719871313 712824827 /nfs/dbraw/zinc/82/48/27/712824827.db2.gz JEKCNZIMVOCEGB-UHFFFAOYSA-N 2 1 211.334 1.107 20 0 BDADMP Cc1conc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000720374670 712836572 /nfs/dbraw/zinc/83/65/72/712836572.db2.gz NSDCRNPIWNSBDI-TUAOUCFPSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1conc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000720374670 712836573 /nfs/dbraw/zinc/83/65/73/712836573.db2.gz NSDCRNPIWNSBDI-TUAOUCFPSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)nn1 ZINC000720585157 712854605 /nfs/dbraw/zinc/85/46/05/712854605.db2.gz WIZDPRDGLYTAMN-PWSUYJOCSA-N 2 1 234.347 1.263 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[C@@H]1[NH3+] ZINC000720848207 712870239 /nfs/dbraw/zinc/87/02/39/712870239.db2.gz UDVVYUYHFYZERJ-QMVSFRDZSA-N 2 1 238.375 1.613 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[C@H]1[NH3+] ZINC000720848204 712870276 /nfs/dbraw/zinc/87/02/76/712870276.db2.gz UDVVYUYHFYZERJ-MBJXGIAVSA-N 2 1 238.375 1.613 20 0 BDADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000720866845 712871724 /nfs/dbraw/zinc/87/17/24/712871724.db2.gz DVDTVBRUSAZUDS-RKQHYHRCSA-N 2 1 236.359 1.095 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC[NH2+]C1CC1 ZINC000720902968 712876054 /nfs/dbraw/zinc/87/60/54/712876054.db2.gz WCZKQGTYLOIHJB-UONOGXRCSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1COC(C)(C)C1 ZINC000396634019 957095026 /nfs/dbraw/zinc/09/50/26/957095026.db2.gz HCDDZNXYCUXHCB-VHSXEESVSA-N 2 1 200.326 1.081 20 0 BDADMP CSCCC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693592912 958899503 /nfs/dbraw/zinc/89/95/03/958899503.db2.gz UCDPMKLWQQQDSH-AOOOYVTPSA-N 2 1 202.367 1.409 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000081571070 959550939 /nfs/dbraw/zinc/55/09/39/959550939.db2.gz JYEUXIUVMNAZMY-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000081571070 959550950 /nfs/dbraw/zinc/55/09/50/959550950.db2.gz JYEUXIUVMNAZMY-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000081571070 959550956 /nfs/dbraw/zinc/55/09/56/959550956.db2.gz JYEUXIUVMNAZMY-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+]1CC[C@@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226657422 975006367 /nfs/dbraw/zinc/00/63/67/975006367.db2.gz PMCJGGFQQCGKEG-SNVBAGLBSA-N 2 1 207.277 1.137 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1CO ZINC000709415935 960583193 /nfs/dbraw/zinc/58/31/93/960583193.db2.gz SQGWVKAHQIMUFL-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000234728702 961636623 /nfs/dbraw/zinc/63/66/23/961636623.db2.gz DFWJAFZXNDSPBO-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](CC2(C)CCOCC2)C1 ZINC001204763142 963374970 /nfs/dbraw/zinc/37/49/70/963374970.db2.gz HGUVEDWZEROFCQ-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000699534797 965948358 /nfs/dbraw/zinc/94/83/58/965948358.db2.gz SOSLJDRUAURRIT-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](CC2CCSCC2)C[C@H]1C[NH3+] ZINC001205130546 967358355 /nfs/dbraw/zinc/35/83/55/967358355.db2.gz HOSFHZPGNZLNPX-CMPLNLGQSA-N 2 1 228.405 1.656 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC001205131379 967378913 /nfs/dbraw/zinc/37/89/13/967378913.db2.gz WRMIZCRVWIEOLT-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccncc2F)C[C@H]1C[NH3+] ZINC001205136150 967382717 /nfs/dbraw/zinc/38/27/17/967382717.db2.gz RNMRWSYUNKLHMB-GXSJLCMTSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2F)C[C@H]1C[NH3+] ZINC001205136150 967382731 /nfs/dbraw/zinc/38/27/31/967382731.db2.gz RNMRWSYUNKLHMB-GXSJLCMTSA-N 2 1 223.295 1.247 20 0 BDADMP CSCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205735648 967810212 /nfs/dbraw/zinc/81/02/12/967810212.db2.gz OZQWOUNPFLONAZ-VIFPVBQESA-N 2 1 238.347 1.655 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2c(O)cccc2C1 ZINC001205923296 967884636 /nfs/dbraw/zinc/88/46/36/967884636.db2.gz MFLBSKRNEYYSAX-UHFFFAOYSA-N 2 1 220.316 1.489 20 0 BDADMP Cc1coc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206324746 968230064 /nfs/dbraw/zinc/23/00/64/968230064.db2.gz CZUJDXRTCLWTEL-ZDUSSCGKSA-N 2 1 237.347 1.934 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+]C[C@H](O)COCC ZINC001252042548 968454756 /nfs/dbraw/zinc/45/47/56/968454756.db2.gz KRGOWUQRGODALG-ZDUSSCGKSA-N 2 1 246.395 1.095 20 0 BDADMP CC[C@H](C[NH2+]C1CCOCC1)[NH+]1CCCC1 ZINC000164425311 968516440 /nfs/dbraw/zinc/51/64/40/968516440.db2.gz KGDFXDOBJXTJGY-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CC[C@H]1O ZINC001207276300 968712305 /nfs/dbraw/zinc/71/23/05/968712305.db2.gz VCHNPHOWKPYTID-VXGBXAGGSA-N 2 1 228.380 1.277 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001207399854 968741114 /nfs/dbraw/zinc/74/11/14/968741114.db2.gz WVZSIQJHULASNU-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)C(=O)OC ZINC001207403298 968754868 /nfs/dbraw/zinc/75/48/68/968754868.db2.gz SGVWPEHNLBXJLQ-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CCN1C ZINC001207486780 968796054 /nfs/dbraw/zinc/79/60/54/968796054.db2.gz NECYUBVFCXBMCF-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1CN(CCC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001207486780 968796060 /nfs/dbraw/zinc/79/60/60/968796060.db2.gz NECYUBVFCXBMCF-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1CN(CCC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001207486780 968796071 /nfs/dbraw/zinc/79/60/71/968796071.db2.gz NECYUBVFCXBMCF-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@H]2CO)CC1 ZINC001208105563 969004327 /nfs/dbraw/zinc/00/43/27/969004327.db2.gz XOWGPDLEHTZZAI-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCOCC23CC3)CC1 ZINC001208108164 969002904 /nfs/dbraw/zinc/00/29/04/969002904.db2.gz ACJZKVDUTYTVRK-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](OC)C2)CC1 ZINC001208593483 969150338 /nfs/dbraw/zinc/15/03/38/969150338.db2.gz UBRRCRNZCBHYGS-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP COCC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208604554 969154825 /nfs/dbraw/zinc/15/48/25/969154825.db2.gz QGTDPWPROCWSKG-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001208593672 969152321 /nfs/dbraw/zinc/15/23/21/969152321.db2.gz YYWNKXTWMFENHB-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)C[C@@H]1F ZINC001208608135 969163868 /nfs/dbraw/zinc/16/38/68/969163868.db2.gz PUSCPQCAVIVNIG-WOPDTQHZSA-N 2 1 214.328 1.618 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)C[C@@H]1F ZINC001208608135 969163871 /nfs/dbraw/zinc/16/38/71/969163871.db2.gz PUSCPQCAVIVNIG-WOPDTQHZSA-N 2 1 214.328 1.618 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)C[C@@H]1F ZINC001208608135 969163875 /nfs/dbraw/zinc/16/38/75/969163875.db2.gz PUSCPQCAVIVNIG-WOPDTQHZSA-N 2 1 214.328 1.618 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1F ZINC001208608135 969163883 /nfs/dbraw/zinc/16/38/83/969163883.db2.gz PUSCPQCAVIVNIG-WOPDTQHZSA-N 2 1 214.328 1.618 20 0 BDADMP CCO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208616658 969173568 /nfs/dbraw/zinc/17/35/68/969173568.db2.gz KZBSADRHIHQHCA-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCO[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208616658 969173572 /nfs/dbraw/zinc/17/35/72/969173572.db2.gz KZBSADRHIHQHCA-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCO[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208616658 969173577 /nfs/dbraw/zinc/17/35/77/969173577.db2.gz KZBSADRHIHQHCA-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCOCCC[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001209032712 969328653 /nfs/dbraw/zinc/32/86/53/969328653.db2.gz UDVCPPHVHWYSGT-CHWSQXEVSA-N 2 1 242.363 1.023 20 0 BDADMP CC[N@H+](C)C1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC001253768195 969387181 /nfs/dbraw/zinc/38/71/81/969387181.db2.gz LMQDSTMGNTZARK-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC001253768195 969387191 /nfs/dbraw/zinc/38/71/91/969387191.db2.gz LMQDSTMGNTZARK-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CCCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091858 969410749 /nfs/dbraw/zinc/41/07/49/969410749.db2.gz WISAZADYZWVBHD-XDQVBPFNSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110519 969449595 /nfs/dbraw/zinc/44/95/95/969449595.db2.gz MANUGRIDDQCYCI-FVCCEPFGSA-N 2 1 225.380 1.138 20 0 BDADMP CCN1CCC([NH2+]Cc2ccc(C)n2C)CC1 ZINC001169224697 969491262 /nfs/dbraw/zinc/49/12/62/969491262.db2.gz LELZQOPJAJTUCN-UHFFFAOYSA-N 2 1 235.375 1.907 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2ccc(C)n2C)CC1 ZINC001169224697 969491273 /nfs/dbraw/zinc/49/12/73/969491273.db2.gz LELZQOPJAJTUCN-UHFFFAOYSA-N 2 1 235.375 1.907 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209424946 969492197 /nfs/dbraw/zinc/49/21/97/969492197.db2.gz CNCAHSVPYMFBRD-NEPJUHHUSA-N 2 1 208.349 1.813 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001169264533 969521549 /nfs/dbraw/zinc/52/15/49/969521549.db2.gz HGPDRAXMIUXBOT-DRZSPHRISA-N 2 1 226.339 1.903 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@](C)(O)[C@H](C)C2)CC1 ZINC001169245214 969528410 /nfs/dbraw/zinc/52/84/10/969528410.db2.gz BUGOXABEIUXGBK-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@](C)(O)[C@H](C)C2)CC1 ZINC001169245214 969528412 /nfs/dbraw/zinc/52/84/12/969528412.db2.gz BUGOXABEIUXGBK-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC1 ZINC001254498419 969661086 /nfs/dbraw/zinc/66/10/86/969661086.db2.gz ZRWJFYATCSZFOX-MGPQQGTHSA-N 2 1 240.391 1.754 20 0 BDADMP CCCC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C(N)=O ZINC001254511477 969678653 /nfs/dbraw/zinc/67/86/53/969678653.db2.gz AMLHOTKIMLJTGW-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@H](O)C2)CC1 ZINC001254517289 969694337 /nfs/dbraw/zinc/69/43/37/969694337.db2.gz UATRGTGFXYZSNS-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001254517289 969694341 /nfs/dbraw/zinc/69/43/41/969694341.db2.gz UATRGTGFXYZSNS-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@H](O)C2)CC1 ZINC001254517289 969694347 /nfs/dbraw/zinc/69/43/47/969694347.db2.gz UATRGTGFXYZSNS-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@@]1(C)O ZINC001254517357 969702527 /nfs/dbraw/zinc/70/25/27/969702527.db2.gz UXIGIIGPTNEAEO-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CC[C@@]1(C)O ZINC001254517357 969702536 /nfs/dbraw/zinc/70/25/36/969702536.db2.gz UXIGIIGPTNEAEO-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC[C@@]1(C)O ZINC001254517357 969702542 /nfs/dbraw/zinc/70/25/42/969702542.db2.gz UXIGIIGPTNEAEO-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[N@@H+](CCCO)[C@H]1CCC[NH+](C)CC1 ZINC001254521930 969712356 /nfs/dbraw/zinc/71/23/56/969712356.db2.gz AFAKJLFRACAGOA-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)[NH+](CCCO)[C@H]1CCC[N@H+](C)CC1 ZINC001254521930 969712367 /nfs/dbraw/zinc/71/23/67/969712367.db2.gz AFAKJLFRACAGOA-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)[NH+](CCCO)[C@H]1CCC[N@@H+](C)CC1 ZINC001254521930 969712375 /nfs/dbraw/zinc/71/23/75/969712375.db2.gz AFAKJLFRACAGOA-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCCO[C@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254524696 969722698 /nfs/dbraw/zinc/72/26/98/969722698.db2.gz YTCPVYPCMFJMPB-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254524696 969722705 /nfs/dbraw/zinc/72/27/05/969722705.db2.gz YTCPVYPCMFJMPB-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524696 969722709 /nfs/dbraw/zinc/72/27/09/969722709.db2.gz YTCPVYPCMFJMPB-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001210474222 969899827 /nfs/dbraw/zinc/89/98/27/969899827.db2.gz DXWWCQRCDOWHLE-GFCCVEGCSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001210474222 969899830 /nfs/dbraw/zinc/89/98/30/969899830.db2.gz DXWWCQRCDOWHLE-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001210474222 969899831 /nfs/dbraw/zinc/89/98/31/969899831.db2.gz DXWWCQRCDOWHLE-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CCN(CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001210474222 969899832 /nfs/dbraw/zinc/89/98/32/969899832.db2.gz DXWWCQRCDOWHLE-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CC(C)[N@H+]1CCN([C@H]2CC[NH+](C)C2)C[C@@H]1C ZINC001255443135 970173666 /nfs/dbraw/zinc/17/36/66/970173666.db2.gz KDUUHJFJSIRDMO-STQMWFEESA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC001255443135 970173674 /nfs/dbraw/zinc/17/36/74/970173674.db2.gz KDUUHJFJSIRDMO-STQMWFEESA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC001255443135 970173690 /nfs/dbraw/zinc/17/36/90/970173690.db2.gz KDUUHJFJSIRDMO-STQMWFEESA-N 2 1 225.380 1.105 20 0 BDADMP CC[NH+](CC)CC[C@H](C)NC[C@H]1CC[N@@H+](C)C1 ZINC001255944683 970574727 /nfs/dbraw/zinc/57/47/27/970574727.db2.gz XSQKDFYJYBDXBZ-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001255944683 970574738 /nfs/dbraw/zinc/57/47/38/970574738.db2.gz XSQKDFYJYBDXBZ-UONOGXRCSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001255944683 970574748 /nfs/dbraw/zinc/57/47/48/970574748.db2.gz XSQKDFYJYBDXBZ-UONOGXRCSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)N[C@H]1CCC[N@@H+](C)C1 ZINC001255944598 970578474 /nfs/dbraw/zinc/57/84/74/970578474.db2.gz WCZOMSHZADHLST-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC001255944598 970578484 /nfs/dbraw/zinc/57/84/84/970578484.db2.gz WCZOMSHZADHLST-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001255949987 970584210 /nfs/dbraw/zinc/58/42/10/970584210.db2.gz DLTPTNKSCYLQCR-VXGBXAGGSA-N 3 1 215.385 1.291 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001255957047 970597046 /nfs/dbraw/zinc/59/70/46/970597046.db2.gz OLPPPDPFBLYFAC-XQQFMLRXSA-N 2 1 246.370 1.512 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001255957047 970597060 /nfs/dbraw/zinc/59/70/60/970597060.db2.gz OLPPPDPFBLYFAC-XQQFMLRXSA-N 2 1 246.370 1.512 20 0 BDADMP CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001255966724 970600174 /nfs/dbraw/zinc/60/01/74/970600174.db2.gz MPQUTSMYMPQDFJ-IHRRRGAJSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H]1COC ZINC001255968652 970599610 /nfs/dbraw/zinc/59/96/10/970599610.db2.gz DVHJKAMJHNVUCF-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H]1COC ZINC001255968652 970599617 /nfs/dbraw/zinc/59/96/17/970599617.db2.gz DVHJKAMJHNVUCF-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001255966727 970601985 /nfs/dbraw/zinc/60/19/85/970601985.db2.gz MPQUTSMYMPQDFJ-RDBSUJKOSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001255966998 970603054 /nfs/dbraw/zinc/60/30/54/970603054.db2.gz NKVVDVUXKDOCPG-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001255966998 970603064 /nfs/dbraw/zinc/60/30/64/970603064.db2.gz NKVVDVUXKDOCPG-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256201959 970693796 /nfs/dbraw/zinc/69/37/96/970693796.db2.gz OURYKSYGSBVWKG-BJHJDKERSA-N 2 1 226.364 1.628 20 0 BDADMP CCOCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256208317 970711670 /nfs/dbraw/zinc/71/16/70/970711670.db2.gz FFEBJGBYDHKBNU-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2cccnc2C[NH3+])C1 ZINC001173357114 975314298 /nfs/dbraw/zinc/31/42/98/975314298.db2.gz IBZITUQPLIHMTJ-SNVBAGLBSA-N 2 1 220.320 1.046 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC001338488709 978696234 /nfs/dbraw/zinc/69/62/34/978696234.db2.gz OEFXLRWHOBNWLT-CQSZACIVSA-N 2 1 240.391 1.635 20 0 BDADMP CO[C@H]1CCC[C@@H]2C[N@@H+](C[C@H](C)[NH3+])C[C@@H]21 ZINC001235624968 979105672 /nfs/dbraw/zinc/10/56/72/979105672.db2.gz NJTMXPRVEXGUBU-USZNOCQGSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CNC(C)(C)O2)[C@@H]1C ZINC001235695620 979123756 /nfs/dbraw/zinc/12/37/56/979123756.db2.gz XEHPZWFDADTZQN-UTUOFQBUSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H]1C ZINC001235695620 979123760 /nfs/dbraw/zinc/12/37/60/979123760.db2.gz XEHPZWFDADTZQN-UTUOFQBUSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H]1C ZINC001235695620 979123767 /nfs/dbraw/zinc/12/37/67/979123767.db2.gz XEHPZWFDADTZQN-UTUOFQBUSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702109 979130682 /nfs/dbraw/zinc/13/06/82/979130682.db2.gz JKXCWXVRBUOBIR-LLVKDONJSA-N 3 1 225.380 1.045 20 0 BDADMP Nc1ccc(F)c(C[NH+]2CC(CC[NH3+])C2)c1F ZINC001235918294 979205042 /nfs/dbraw/zinc/20/50/42/979205042.db2.gz CVBBXQNWSRRTGU-UHFFFAOYSA-N 2 1 241.285 1.328 20 0 BDADMP CCCC[C@H]1C[N@H+](CCCC[NH3+])CCN1 ZINC001236134872 979405026 /nfs/dbraw/zinc/40/50/26/979405026.db2.gz IKZITHCXKUBMDU-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP CCCC[C@H]1C[N@@H+](CCCC[NH3+])CCN1 ZINC001236134872 979405028 /nfs/dbraw/zinc/40/50/28/979405028.db2.gz IKZITHCXKUBMDU-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP [NH3+]CCCC[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634072 979684799 /nfs/dbraw/zinc/68/47/99/979684799.db2.gz PUMDYJFCNIBWJC-UHFFFAOYSA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CCCC[N@H+](C1CCC1)C1CCNCC1 ZINC001236634072 979684803 /nfs/dbraw/zinc/68/48/03/979684803.db2.gz PUMDYJFCNIBWJC-UHFFFAOYSA-N 2 1 225.380 1.332 20 0 BDADMP [NH3+]CCCC[N@@H+](C1CCC1)C1CCNCC1 ZINC001236634072 979684808 /nfs/dbraw/zinc/68/48/08/979684808.db2.gz PUMDYJFCNIBWJC-UHFFFAOYSA-N 2 1 225.380 1.332 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)CCc1cccc(OC)c1 ZINC001236858289 979767642 /nfs/dbraw/zinc/76/76/42/979767642.db2.gz ARRRLLHAUALSTJ-ZDUSSCGKSA-N 2 1 236.359 1.907 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCc1cccc(OC)c1 ZINC001236858289 979767652 /nfs/dbraw/zinc/76/76/52/979767652.db2.gz ARRRLLHAUALSTJ-ZDUSSCGKSA-N 2 1 236.359 1.907 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCCCO)C1 ZINC001237060239 979810683 /nfs/dbraw/zinc/81/06/83/979810683.db2.gz YUNJFEQUNLITGO-GFCCVEGCSA-N 2 1 214.353 1.210 20 0 BDADMP C[C@@]1(C[N@@H+]2CCC[C@](C)(CO)C2)CCC[NH2+]C1 ZINC001345159167 980570212 /nfs/dbraw/zinc/57/02/12/980570212.db2.gz CRRPWARGEOOJAP-KGLIPLIRSA-N 2 1 240.391 1.471 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000722691761 980904927 /nfs/dbraw/zinc/90/49/27/980904927.db2.gz ITGJVNYEATWJFL-FDYHWXHSSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2nccs2)CC[C@@H]1C[NH3+] ZINC001205602219 981164058 /nfs/dbraw/zinc/16/40/58/981164058.db2.gz HSWPEODUTOBCAE-WDEREUQCSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncc[nH]2)CC[C@@H]1C[NH3+] ZINC001205603600 981174372 /nfs/dbraw/zinc/17/43/72/981174372.db2.gz QURKBUDVWYEXCF-WDEREUQCSA-N 2 1 222.336 1.217 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172463433 974827798 /nfs/dbraw/zinc/82/77/98/974827798.db2.gz OKHBQCGKHPTSNM-CHWSQXEVSA-N 2 1 230.396 1.964 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246596709 973009833 /nfs/dbraw/zinc/00/98/33/973009833.db2.gz VJBRIJRGUUDNOW-KGLIPLIRSA-N 3 1 241.423 1.837 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246596709 973009848 /nfs/dbraw/zinc/00/98/48/973009848.db2.gz VJBRIJRGUUDNOW-KGLIPLIRSA-N 3 1 241.423 1.837 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246604641 973022876 /nfs/dbraw/zinc/02/28/76/973022876.db2.gz HYAOMXZWLVQXPQ-KGLIPLIRSA-N 3 1 239.407 1.593 20 0 BDADMP C[NH2+]CC[C@@H](C)N1CCC[C@]12CCC[NH2+]CC2 ZINC001246604641 973022879 /nfs/dbraw/zinc/02/28/79/973022879.db2.gz HYAOMXZWLVQXPQ-KGLIPLIRSA-N 2 1 239.407 1.593 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CC2)CCC1(F)F ZINC000403235153 970897426 /nfs/dbraw/zinc/89/74/26/970897426.db2.gz OAQDIYAEVKXKCE-SNVBAGLBSA-N 2 1 218.291 1.702 20 0 BDADMP [NH3+][C@@H]1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256898488 971011527 /nfs/dbraw/zinc/01/15/27/971011527.db2.gz MCZQVZNGPUCOCR-TZMCWYRMSA-N 2 1 237.391 1.426 20 0 BDADMP [NH3+]Cc1cncn1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894275 971011821 /nfs/dbraw/zinc/01/18/21/971011821.db2.gz GMVUDNFZNPWOKW-ZDUSSCGKSA-N 2 1 248.374 1.921 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCCCCO)[C@H]1CC[NH3+] ZINC000404401992 971156006 /nfs/dbraw/zinc/15/60/06/971156006.db2.gz RUSFISKNBYWYQF-KGLIPLIRSA-N 2 1 242.407 1.988 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405201914 971206339 /nfs/dbraw/zinc/20/63/39/971206339.db2.gz BDPNCLNEDUXJIS-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)ccn1 ZINC000405244014 971217628 /nfs/dbraw/zinc/21/76/28/971217628.db2.gz YFEJVFDARHYEGU-RYUDHWBXSA-N 2 1 247.342 1.450 20 0 BDADMP C[C@@H](Nc1cccn2cc[nH+]c12)[C@H]1C[NH2+]CCO1 ZINC001170571811 971219470 /nfs/dbraw/zinc/21/94/70/971219470.db2.gz ZYANHAJGHZVQEV-ZYHUDNBSSA-N 2 1 246.314 1.123 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccoc2)C12CCC2 ZINC000405285065 971226092 /nfs/dbraw/zinc/22/60/92/971226092.db2.gz DJJDYABUHIBWRO-QWRGUYRKSA-N 2 1 206.289 1.639 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)C12CCC2 ZINC000405532318 971265480 /nfs/dbraw/zinc/26/54/80/971265480.db2.gz YNCXRCPTJQHPBG-MGPQQGTHSA-N 2 1 246.354 1.580 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC000405552640 971269938 /nfs/dbraw/zinc/26/99/38/971269938.db2.gz BMQOKMFTWPORER-ZDUSSCGKSA-N 2 1 219.332 1.703 20 0 BDADMP CCCCOC(=O)CC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001257384872 971295288 /nfs/dbraw/zinc/29/52/88/971295288.db2.gz BMEKMLMQPSFXPD-LLVKDONJSA-N 2 1 244.379 1.825 20 0 BDADMP CCCCOC(=O)CC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001257384874 971297273 /nfs/dbraw/zinc/29/72/73/971297273.db2.gz BMEKMLMQPSFXPD-NSHDSACASA-N 2 1 244.379 1.825 20 0 BDADMP CCCC[C@@H](CC)[N@@H+](CCN)CCO ZINC001257410570 971299854 /nfs/dbraw/zinc/29/98/54/971299854.db2.gz UWZFSRCRJNXMQG-LLVKDONJSA-N 2 1 202.342 1.208 20 0 BDADMP CCCC[C@@H](CC)[N@@H+](CC[NH3+])CCO ZINC001257410570 971299871 /nfs/dbraw/zinc/29/98/71/971299871.db2.gz UWZFSRCRJNXMQG-LLVKDONJSA-N 2 1 202.342 1.208 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)CC ZINC001257430433 971336099 /nfs/dbraw/zinc/33/60/99/971336099.db2.gz QQDFEWJALSDHKG-ZJUUUORDSA-N 2 1 216.325 1.045 20 0 BDADMP C[C@H]1C[C@H]1c1nnc([C@H]([NH3+])CCCC[NH3+])o1 ZINC001217722222 971362901 /nfs/dbraw/zinc/36/29/01/971362901.db2.gz LGMXSDIHHROQKK-DJLDLDEBSA-N 2 1 224.308 1.322 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OCCCC[NH+](C)C)C1 ZINC001224991504 974122122 /nfs/dbraw/zinc/12/21/22/974122122.db2.gz USOWYMRRXLVZFK-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP [NH3+]CCCCCCCO[C@@H]1C[NH2+]CC1(F)F ZINC001217845635 971439504 /nfs/dbraw/zinc/43/95/04/971439504.db2.gz ANGZLKLIWIUWKA-SNVBAGLBSA-N 2 1 236.306 1.519 20 0 BDADMP CN1CCC([N@@H+](C)[C@H]2CCCSC2)CC1 ZINC001257667473 971466034 /nfs/dbraw/zinc/46/60/34/971466034.db2.gz DHWOSLKMDCVIPF-LBPRGKRZSA-N 2 1 228.405 1.908 20 0 BDADMP CC(C)C[NH+]1CCC([N@@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC001258012925 971553579 /nfs/dbraw/zinc/55/35/79/971553579.db2.gz ISWFPDWZEUTCTC-JSGCOSHPSA-N 2 1 240.391 1.419 20 0 BDADMP CO[C@H]1CC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258012685 971555133 /nfs/dbraw/zinc/55/51/33/971555133.db2.gz FZMUTDHGMWYPPR-AWEZNQCLSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133907860 971619079 /nfs/dbraw/zinc/61/90/79/971619079.db2.gz BAKRJZSUWUSUGD-UHFFFAOYSA-N 2 1 243.395 1.079 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([N@@H+]3CCO[C@H](C[NH3+])C3)C[C@@H]21 ZINC001170719715 971648373 /nfs/dbraw/zinc/64/83/73/971648373.db2.gz GKEWTLHCMNZVPU-WISYIIOYSA-N 2 1 224.348 1.081 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCO[C@H](C[NH3+])C3)C[C@@H]21 ZINC001170719715 971648380 /nfs/dbraw/zinc/64/83/80/971648380.db2.gz GKEWTLHCMNZVPU-WISYIIOYSA-N 2 1 224.348 1.081 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCO1)C2 ZINC001172108176 974369471 /nfs/dbraw/zinc/36/94/71/974369471.db2.gz QZVKSYPGBUIWRZ-RNJOBUHISA-N 2 1 224.348 1.380 20 0 BDADMP Nc1ccc(NC=CC2CC[NH2+]CC2)c[nH+]1 ZINC001159282111 971803315 /nfs/dbraw/zinc/80/33/15/971803315.db2.gz NOCQSPIAYQSBGA-VMPITWQZSA-N 2 1 218.304 1.589 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCCOCC1 ZINC001170804841 971855172 /nfs/dbraw/zinc/85/51/72/971855172.db2.gz PWCUKUPZZPZCKE-LLVKDONJSA-N 2 1 223.320 1.516 20 0 BDADMP C[NH+](C)C1CCC([NH2+]CC(F)(F)CO)CC1 ZINC000309930590 971883875 /nfs/dbraw/zinc/88/38/75/971883875.db2.gz XTQWGZQLIAUJTH-UHFFFAOYSA-N 2 1 236.306 1.076 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCOCC3)C2)C1 ZINC001170831583 971952077 /nfs/dbraw/zinc/95/20/77/971952077.db2.gz QLFMUMHWUTXLKM-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCOCC3)C2)C1 ZINC001170831583 971952083 /nfs/dbraw/zinc/95/20/83/971952083.db2.gz QLFMUMHWUTXLKM-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP Cn1ccc2c1nccc2N[C@@H]([NH3+])CCC[NH3+] ZINC001170906530 972083009 /nfs/dbraw/zinc/08/30/09/972083009.db2.gz WYUOGXJHNVNFPZ-LLVKDONJSA-N 2 1 233.319 1.009 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246016290 972115643 /nfs/dbraw/zinc/11/56/43/972115643.db2.gz KAZHHWHGPDLMOC-TUAOUCFPSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246097532 972152441 /nfs/dbraw/zinc/15/24/41/972152441.db2.gz ORNCNGANRGCPNX-ZBBUEOHVSA-N 3 1 235.375 1.023 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246102053 972160868 /nfs/dbraw/zinc/16/08/68/972160868.db2.gz QSIVZQNREIEBCY-JHJVBQTASA-N 3 1 225.380 1.249 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246106162 972172567 /nfs/dbraw/zinc/17/25/67/972172567.db2.gz DLHWLGKFPIGSEG-CSHRUCKSSA-N 3 1 235.375 1.023 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cnc2ccccn21 ZINC001246110103 972174964 /nfs/dbraw/zinc/17/49/64/972174964.db2.gz QPSDCCUGWFEUJR-LLVKDONJSA-N 2 1 244.342 1.737 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246116051 972180832 /nfs/dbraw/zinc/18/08/32/972180832.db2.gz ULSVEWNHRQOSJC-FDYHWXHSSA-N 3 1 239.407 1.493 20 0 BDADMP C1CC12C[NH2+]C[C@@H]2N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246131371 972187152 /nfs/dbraw/zinc/18/71/52/972187152.db2.gz JNRLLFPVMWIBPQ-IHRRRGAJSA-N 2 1 249.402 1.250 20 0 BDADMP CCOCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127177 972189249 /nfs/dbraw/zinc/18/92/49/972189249.db2.gz AXWUHUHLMZNZGJ-GHMZBOCLSA-N 2 1 212.337 1.143 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCCC1 ZINC001246150801 972196597 /nfs/dbraw/zinc/19/65/97/972196597.db2.gz ILQBIRVJGZEWCJ-NSHDSACASA-N 2 1 228.336 1.189 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246176551 972207792 /nfs/dbraw/zinc/20/77/92/972207792.db2.gz LOWOKOHOHNQILP-VXGBXAGGSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[C@@H](NC2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246176551 972207793 /nfs/dbraw/zinc/20/77/93/972207793.db2.gz LOWOKOHOHNQILP-VXGBXAGGSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246176543 972208569 /nfs/dbraw/zinc/20/85/69/972208569.db2.gz LOWOKOHOHNQILP-NEPJUHHUSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[C@H](NC2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246176543 972208581 /nfs/dbraw/zinc/20/85/81/972208581.db2.gz LOWOKOHOHNQILP-NEPJUHHUSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]1 ZINC001246185127 972210763 /nfs/dbraw/zinc/21/07/63/972210763.db2.gz RUJBKDBDXUGXMK-YHQUGGNUSA-N 2 1 237.391 1.342 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@]3(CCCO3)C2)C1 ZINC001208606139 957090601 /nfs/dbraw/zinc/09/06/01/957090601.db2.gz FHDNNRJBDIHTGE-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@]3(CCCO3)C2)C1 ZINC001208606139 957090577 /nfs/dbraw/zinc/09/05/77/957090577.db2.gz FHDNNRJBDIHTGE-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@]3(CCCO3)C2)C1 ZINC001208606139 957090588 /nfs/dbraw/zinc/09/05/88/957090588.db2.gz FHDNNRJBDIHTGE-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOCC3)C1 ZINC001208606368 957094359 /nfs/dbraw/zinc/09/43/59/957094359.db2.gz FFMLASOYGWJNRG-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000705340079 957135302 /nfs/dbraw/zinc/13/53/02/957135302.db2.gz AZDDQKBFJRVUHZ-CYBMUJFWSA-N 2 1 219.332 1.703 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2(c3cccnc3)CC2)CC[NH2+]1 ZINC001246300736 972263014 /nfs/dbraw/zinc/26/30/14/972263014.db2.gz SHCQOWPXIAGAHR-AAEUAGOBSA-N 2 1 231.343 1.801 20 0 BDADMP CC[N@@H+](CCCCOC)CCC[NH+](C)C ZINC001209220209 957365678 /nfs/dbraw/zinc/36/56/78/957365678.db2.gz PVKVHRLYZDPTKH-UHFFFAOYSA-N 2 1 216.369 1.687 20 0 BDADMP C[N@H+]1CC[C@H](Nc2ccc([C@@H]3CCC[NH2+]3)cn2)C1 ZINC001167270216 957610817 /nfs/dbraw/zinc/61/08/17/957610817.db2.gz NYCPWBWHDOFHHS-STQMWFEESA-N 2 1 246.358 1.622 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2CC[N@H+](C3CCC3)C2)CC[NH2+]1 ZINC001246359344 972302818 /nfs/dbraw/zinc/30/28/18/972302818.db2.gz AWXVCTOLXNIVDW-XQQFMLRXSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CN(c3ccccn3)C2)CC[NH2+]1 ZINC001246368121 972307994 /nfs/dbraw/zinc/30/79/94/972307994.db2.gz NXNYSSFWVZDFNW-RYUDHWBXSA-N 2 1 246.358 1.000 20 0 BDADMP C[C@@H]1CC([NH2+]CCC[NH2+]CCC[NH3+])C[C@@H](C)C1 ZINC001246452699 972322769 /nfs/dbraw/zinc/32/27/69/972322769.db2.gz LVWXDUIYCQPUSD-STQMWFEESA-N 3 1 241.423 1.729 20 0 BDADMP C[C@@H]1C[C@@H](N[C@]2(C)CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246461947 972337059 /nfs/dbraw/zinc/33/70/59/972337059.db2.gz QNHICDIDRGYEMA-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCN(C)C2)CC[NH2+]1 ZINC001246461947 972337064 /nfs/dbraw/zinc/33/70/64/972337064.db2.gz QNHICDIDRGYEMA-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398957813 958455514 /nfs/dbraw/zinc/45/55/14/958455514.db2.gz JRCLRRHULORGMN-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP CC1(C)CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000398967274 958462643 /nfs/dbraw/zinc/46/26/43/958462643.db2.gz SBVGDKNSUDKFQO-ZDUSSCGKSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C[NH2+]1 ZINC000399251459 958579817 /nfs/dbraw/zinc/57/98/17/958579817.db2.gz LRHNKLCCGZICPR-DGCLKSJQSA-N 2 1 234.343 1.665 20 0 BDADMP Cc1ncc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000693544523 958752232 /nfs/dbraw/zinc/75/22/32/958752232.db2.gz MABOZIVBYOSVIL-AOOOYVTPSA-N 2 1 225.361 1.621 20 0 BDADMP C[N@H+](Cc1ccccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693564018 958814214 /nfs/dbraw/zinc/81/42/14/958814214.db2.gz YJPWADIANSIPFP-PHIMTYICSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CCC[C@H]1O ZINC001207276496 958848834 /nfs/dbraw/zinc/84/88/34/958848834.db2.gz YJMIXRRQYGOVLD-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@@H]1O ZINC001207278902 958865232 /nfs/dbraw/zinc/86/52/32/958865232.db2.gz GLKAWVZEUJLKLC-NEPJUHHUSA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC001246524354 972386704 /nfs/dbraw/zinc/38/67/04/972386704.db2.gz INCNNPVICALSNN-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC001246524354 972386712 /nfs/dbraw/zinc/38/67/12/972386712.db2.gz INCNNPVICALSNN-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000690741292 958953565 /nfs/dbraw/zinc/95/35/65/958953565.db2.gz USVGJOXKJKUXGH-VIFPVBQESA-N 2 1 211.334 1.314 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232005 972411677 /nfs/dbraw/zinc/41/16/77/972411677.db2.gz SANOKWPXRGLPJY-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)[C@H]1CC[NH3+] ZINC000404412735 959252353 /nfs/dbraw/zinc/25/23/53/959252353.db2.gz DTONKUZPQQVSSN-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@H](N)C23CCC3)CC1 ZINC000405197027 959411352 /nfs/dbraw/zinc/41/13/52/959411352.db2.gz AVQJWEHGYCHLFU-STQMWFEESA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693880238 959459359 /nfs/dbraw/zinc/45/93/59/959459359.db2.gz WABPEDCATMTWRP-RWMBFGLXSA-N 2 1 239.407 1.589 20 0 BDADMP Cc1[nH]c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(C)[nH+]1 ZINC000724788415 959522732 /nfs/dbraw/zinc/52/27/32/959522732.db2.gz HZLFRWBGLFGBLV-IUCAKERBSA-N 2 1 222.336 1.209 20 0 BDADMP OCCCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222308677 972437971 /nfs/dbraw/zinc/43/79/71/972437971.db2.gz LEYOTVSTURRYQE-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CC[C@@](C)([NH3+])C2)C1 ZINC001246532213 972450434 /nfs/dbraw/zinc/45/04/34/972450434.db2.gz WBFJKTQZNZWWEO-NTZNESFSSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@](C)([NH3+])C2)C1 ZINC001246532213 972450438 /nfs/dbraw/zinc/45/04/38/972450438.db2.gz WBFJKTQZNZWWEO-NTZNESFSSA-N 2 1 240.347 1.141 20 0 BDADMP F[C@@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436297 960082488 /nfs/dbraw/zinc/08/24/88/960082488.db2.gz BEAHPTLMNUCEFT-GFCCVEGCSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@H]1C[C@@H](CF)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436348 960086227 /nfs/dbraw/zinc/08/62/27/960086227.db2.gz GLEFMPQPYOQERH-JQWIXIFHSA-N 2 1 214.328 1.666 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001207436831 960089822 /nfs/dbraw/zinc/08/98/22/960089822.db2.gz RRJMSXAQPGNZFT-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP CSC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925502775 960216843 /nfs/dbraw/zinc/21/68/43/960216843.db2.gz ISNFYEVSUOQQCV-NXEZZACHSA-N 2 1 214.378 1.612 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCCOCC2)CC1 ZINC001207479714 960352083 /nfs/dbraw/zinc/35/20/83/960352083.db2.gz LMQJJOAHBIATIO-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP COC1C[NH+](CCC2CC[NH+](C)CC2)C1 ZINC001207479780 960355356 /nfs/dbraw/zinc/35/53/56/960355356.db2.gz NOZJAUHYXUQYDI-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H]1C[N@@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C[NH3+] ZINC001246538314 972513870 /nfs/dbraw/zinc/51/38/70/972513870.db2.gz AXAUTDSLKZZIGE-YNEHKIRRSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C[NH3+] ZINC001246538314 972513888 /nfs/dbraw/zinc/51/38/88/972513888.db2.gz AXAUTDSLKZZIGE-YNEHKIRRSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487805 960618918 /nfs/dbraw/zinc/61/89/18/960618918.db2.gz CNGKADBKLQUOKH-SYCZCVCYSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487805 960618928 /nfs/dbraw/zinc/61/89/28/960618928.db2.gz CNGKADBKLQUOKH-SYCZCVCYSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487805 960618936 /nfs/dbraw/zinc/61/89/36/960618936.db2.gz CNGKADBKLQUOKH-SYCZCVCYSA-N 3 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487805 960618942 /nfs/dbraw/zinc/61/89/42/960618942.db2.gz CNGKADBKLQUOKH-SYCZCVCYSA-N 3 1 237.391 1.199 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OC2CC[NH+](C)CC2)C1 ZINC001222504423 972526998 /nfs/dbraw/zinc/52/69/98/972526998.db2.gz UCGSTKRMASOCKM-CYBMUJFWSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000300055162 961005752 /nfs/dbraw/zinc/00/57/52/961005752.db2.gz GVIKJUQCPQAIRC-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCCCCO)C[NH2+]1 ZINC000399038309 961064305 /nfs/dbraw/zinc/06/43/05/961064305.db2.gz PZKOWLSIMPCCAP-RYUDHWBXSA-N 2 1 214.353 1.269 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001167838692 961222918 /nfs/dbraw/zinc/22/29/18/961222918.db2.gz WANQSQSABXGTAF-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H](c3ccccn3)C2)CC[NH2+]C1 ZINC000843115642 961873138 /nfs/dbraw/zinc/87/31/38/961873138.db2.gz MZJNLTBFMPNAGE-HIFRSBDPSA-N 2 1 245.370 1.871 20 0 BDADMP C[N@@H+]1CCC12CN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001276405285 962183762 /nfs/dbraw/zinc/18/37/62/962183762.db2.gz VBJFFJUDGMEIFS-UHFFFAOYSA-N 2 1 242.326 1.453 20 0 BDADMP C[N@H+]1CCC12CN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001276405285 962183793 /nfs/dbraw/zinc/18/37/93/962183793.db2.gz VBJFFJUDGMEIFS-UHFFFAOYSA-N 2 1 242.326 1.453 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400045584 962194005 /nfs/dbraw/zinc/19/40/05/962194005.db2.gz RWYBTRHPKPHLQX-ZJUUUORDSA-N 2 1 218.291 1.701 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400045584 962194018 /nfs/dbraw/zinc/19/40/18/962194018.db2.gz RWYBTRHPKPHLQX-ZJUUUORDSA-N 2 1 218.291 1.701 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167947632 962563465 /nfs/dbraw/zinc/56/34/65/962563465.db2.gz CLJIDUJPFPMJKL-KCLGILNXSA-N 2 1 220.360 1.668 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167947632 962563478 /nfs/dbraw/zinc/56/34/78/962563478.db2.gz CLJIDUJPFPMJKL-KCLGILNXSA-N 2 1 220.360 1.668 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167947632 962563491 /nfs/dbraw/zinc/56/34/91/962563491.db2.gz CLJIDUJPFPMJKL-KCLGILNXSA-N 2 1 220.360 1.668 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167956394 962808241 /nfs/dbraw/zinc/80/82/41/962808241.db2.gz PIUJYILRBIJBPO-XVIXHAIJSA-N 2 1 220.360 1.668 20 0 BDADMP Nc1ccc[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154974323 962928429 /nfs/dbraw/zinc/92/84/29/962928429.db2.gz DAAWYVKVDHQTOZ-IUCAKERBSA-N 2 1 206.293 1.346 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCOC2)C[C@H]1[NH3+] ZINC000400730526 963055551 /nfs/dbraw/zinc/05/55/51/963055551.db2.gz YPPCHSXGANPJMO-WDEREUQCSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@H+](CC[C@H]2CCOC2)C[C@H]1[NH3+] ZINC000400730526 963055536 /nfs/dbraw/zinc/05/55/36/963055536.db2.gz YPPCHSXGANPJMO-WDEREUQCSA-N 2 1 212.337 1.082 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(c3cc(N)cc[nH+]3)C[C@@H]21 ZINC001157262354 963565777 /nfs/dbraw/zinc/56/57/77/963565777.db2.gz VHFZGEKNQSZMLU-PWSUYJOCSA-N 2 1 232.331 1.194 20 0 BDADMP Cc1c[nH+]c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1N ZINC001157272121 963567152 /nfs/dbraw/zinc/56/71/52/963567152.db2.gz LAMFQBBSMDDHFZ-AAEUAGOBSA-N 2 1 246.358 1.503 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168076653 963617977 /nfs/dbraw/zinc/61/79/77/963617977.db2.gz ZBTCGFHPWPIASL-XHJNMGKDSA-N 2 1 238.375 1.769 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697089175 963719981 /nfs/dbraw/zinc/71/99/81/963719981.db2.gz VCAWIBLSFDXSGE-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697089177 963720410 /nfs/dbraw/zinc/72/04/10/963720410.db2.gz VCAWIBLSFDXSGE-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001168107539 963738980 /nfs/dbraw/zinc/73/89/80/963738980.db2.gz WHPAFTKKTFRDOY-QWRGUYRKSA-N 2 1 223.320 1.514 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCO1 ZINC001168138561 963840137 /nfs/dbraw/zinc/84/01/37/963840137.db2.gz AGCLPAVFCHFLSG-AAVRWANBSA-N 2 1 238.375 1.437 20 0 BDADMP [NH3+]Cc1ccn(-c2cc3[nH]ccc3c[nH+]2)c1 ZINC001158763855 963918499 /nfs/dbraw/zinc/91/84/99/963918499.db2.gz JAPCSPHBIAQXMV-UHFFFAOYSA-N 2 1 212.256 1.812 20 0 BDADMP CC1CCC([NH2+]CCC[N@@H+](C)CCO)CC1 ZINC001168209290 963983752 /nfs/dbraw/zinc/98/37/52/963983752.db2.gz QCYNTLWNPCFIEE-UHFFFAOYSA-N 2 1 228.380 1.469 20 0 BDADMP Cc1cc(N[C@H]2C[NH2+]CC[C@H]2F)nc(C)[nH+]1 ZINC001168228223 964009685 /nfs/dbraw/zinc/00/96/85/964009685.db2.gz QVBLIXZMLQYLTD-ZJUUUORDSA-N 2 1 224.283 1.205 20 0 BDADMP C[NH+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206673649 964251811 /nfs/dbraw/zinc/25/18/11/964251811.db2.gz JCQIZSVTLSXQTP-UHFFFAOYSA-N 2 1 234.343 1.580 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CC[C@@H]1O ZINC001168313703 964414334 /nfs/dbraw/zinc/41/43/34/964414334.db2.gz GDQXETHIGICRHB-RYSNWHEDSA-N 2 1 240.391 1.562 20 0 BDADMP CO[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1F ZINC001168315698 964420025 /nfs/dbraw/zinc/42/00/25/964420025.db2.gz ZZAAHOROOPAHLE-IFWUJCSASA-N 2 1 244.354 1.528 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@H]2CO)CC1 ZINC001168314302 964422112 /nfs/dbraw/zinc/42/21/12/964422112.db2.gz CLZBGJBLPCYPPO-RUXDESIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C2CC2)C2COC2)CC1 ZINC001168327026 964456771 /nfs/dbraw/zinc/45/67/71/964456771.db2.gz JEVJFEGDXRWSOY-UHFFFAOYSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCOC3(CC3)C2)CC1 ZINC001168328277 964459621 /nfs/dbraw/zinc/45/96/21/964459621.db2.gz CQJAYABTUOQBHL-UHFFFAOYSA-N 2 1 238.375 1.724 20 0 BDADMP Cc1cnc(NCC[C@H]2CCC[N@@H+]2C)c(C[NH3+])c1 ZINC001160970734 964461488 /nfs/dbraw/zinc/46/14/88/964461488.db2.gz PGXDGADEVWIBMW-CYBMUJFWSA-N 2 1 248.374 1.745 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCN1C ZINC001168328123 964461801 /nfs/dbraw/zinc/46/18/01/964461801.db2.gz WLEQOPDSKQCYKQ-IYXRBSQSSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H](CC[NH2+]Cc1ccc(CO)cc1)[NH+](C)C ZINC000697848370 964565191 /nfs/dbraw/zinc/56/51/91/964565191.db2.gz MADVPQNSPGNCNY-LBPRGKRZSA-N 2 1 236.359 1.609 20 0 BDADMP C[NH+]1CCC([NH2+]CC2CSC2)CC1 ZINC000697951792 964769724 /nfs/dbraw/zinc/76/97/24/964769724.db2.gz LXZIUOCFRVTDGW-UHFFFAOYSA-N 2 1 200.351 1.033 20 0 BDADMP C[NH+]1CCCC[C@@H]1CO[C@@H]1CCC[N@H+](C)C1 ZINC001224701113 964886820 /nfs/dbraw/zinc/88/68/20/964886820.db2.gz CZBUEFKQVDPKJK-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224701113 964886827 /nfs/dbraw/zinc/88/68/27/964886827.db2.gz CZBUEFKQVDPKJK-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224701113 964886829 /nfs/dbraw/zinc/88/68/29/964886829.db2.gz CZBUEFKQVDPKJK-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@]1([NH3+])C[C@H](Nc2nc(NC3CC3)cc[nH+]2)C1 ZINC001162324597 964928023 /nfs/dbraw/zinc/92/80/23/964928023.db2.gz ANRKFMSZIXTSSK-WVSHTKLVSA-N 2 1 233.319 1.343 20 0 BDADMP C[C@@]1(O)CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374280 964994470 /nfs/dbraw/zinc/99/44/70/964994470.db2.gz YIFUKUJGBPSWJO-CQSZACIVSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@@H]1C[C@@H](CNc2cc(Cl)cc(N)[nH+]2)C[NH2+]1 ZINC001162554436 965045016 /nfs/dbraw/zinc/04/50/16/965045016.db2.gz BLECOUCAHBMSDE-HTQZYQBOSA-N 2 1 240.738 1.727 20 0 BDADMP C[C@@H]1C[C@@H](CNc2[nH+]ccc3ccn(C)c32)C[NH2+]1 ZINC001162557834 965047463 /nfs/dbraw/zinc/04/74/63/965047463.db2.gz LFZUTISNQKIMRG-GHMZBOCLSA-N 2 1 244.342 1.983 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162678120 965109156 /nfs/dbraw/zinc/10/91/56/965109156.db2.gz WXLYFGXKLGMJEZ-GHMZBOCLSA-N 2 1 234.347 1.618 20 0 BDADMP Cc1ccc[nH+]c1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163159031 965271205 /nfs/dbraw/zinc/27/12/05/965271205.db2.gz FONVAHUJJTYSFW-JHJVBQTASA-N 2 1 247.342 1.426 20 0 BDADMP Cc1cc[nH+]c(C)c1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163155053 965271243 /nfs/dbraw/zinc/27/12/43/965271243.db2.gz VRGPLLOEWKAZCT-JSGCOSHPSA-N 2 1 247.342 1.346 20 0 BDADMP Cc1ccc[nH+]c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163305474 965326996 /nfs/dbraw/zinc/32/69/96/965326996.db2.gz MSJURDZURFKSAS-JSGCOSHPSA-N 2 1 247.342 1.713 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000690753562 965357313 /nfs/dbraw/zinc/35/73/13/965357313.db2.gz DULKPFLNRAKJCF-SECBINFHSA-N 2 1 211.334 1.314 20 0 BDADMP CCCc1cc(N(C)CC[NH3+])nc(C)[nH+]1 ZINC001163687949 965506308 /nfs/dbraw/zinc/50/63/08/965506308.db2.gz DJLOTIOBAFLKHK-UHFFFAOYSA-N 2 1 208.309 1.132 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[NH2+]1 ZINC000714979740 965575962 /nfs/dbraw/zinc/57/59/62/965575962.db2.gz WFHCEEYSMJXCPD-ONGXEEELSA-N 2 1 221.304 1.017 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000714983985 965578483 /nfs/dbraw/zinc/57/84/83/965578483.db2.gz SKZZEBHWHFWMPC-LBPRGKRZSA-N 2 1 235.331 1.361 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC000715066408 965666487 /nfs/dbraw/zinc/66/64/87/965666487.db2.gz ZWNHSJGBPPTCPW-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001205094197 965726594 /nfs/dbraw/zinc/72/65/94/965726594.db2.gz KCAKEMNKSSQHKL-NSHDSACASA-N 2 1 221.304 1.100 20 0 BDADMP C[C@H]1OCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000699206701 965816675 /nfs/dbraw/zinc/81/66/75/965816675.db2.gz XVDYMVLXNFYDSS-PJIALRRASA-N 2 1 238.375 1.626 20 0 BDADMP C[N@H+]1CC[C@@H](c2ccc(N3CC[C@@H]([NH3+])C3)cc2)C1 ZINC001164288279 965832428 /nfs/dbraw/zinc/83/24/28/965832428.db2.gz NFWSPTYRUZJLFK-ZIAGYGMSSA-N 2 1 245.370 1.643 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c2CCN3)CC1 ZINC001205124084 965887132 /nfs/dbraw/zinc/88/71/32/965887132.db2.gz KCORMVYIABXDSG-CYBMUJFWSA-N 2 1 245.370 1.968 20 0 BDADMP Cc1c[nH+]c(N2CC[N@H+](C(C)C)[C@H](C)C2)cc1N ZINC001165200465 965984547 /nfs/dbraw/zinc/98/45/47/965984547.db2.gz ZNXUSPJUGLWTCK-GFCCVEGCSA-N 2 1 248.374 1.891 20 0 BDADMP Nc1ccc[nH+]c1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165247374 966007607 /nfs/dbraw/zinc/00/76/07/966007607.db2.gz WWPAWXIBDKJXKJ-UHFFFAOYSA-N 2 1 246.358 1.776 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2cc(C[NH3+])ccn2)C1 ZINC001165253791 966009972 /nfs/dbraw/zinc/00/99/72/966009972.db2.gz RQVWLDJGIZTMDP-GFCCVEGCSA-N 2 1 248.374 1.684 20 0 BDADMP [NH3+]CC[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001235629928 966096383 /nfs/dbraw/zinc/09/63/83/966096383.db2.gz AAWQTVQPDSZNLK-UHFFFAOYSA-N 2 1 238.375 1.616 20 0 BDADMP Nc1ccc[nH+]c1N1CCC(C2C[NH2+]C2)CC1 ZINC001165410872 966097394 /nfs/dbraw/zinc/09/73/94/966097394.db2.gz NHGIOVSZIAAZAB-UHFFFAOYSA-N 2 1 232.331 1.100 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000691360955 966113759 /nfs/dbraw/zinc/11/37/59/966113759.db2.gz TZLFRIHJXMWAGU-GFCCVEGCSA-N 2 1 226.364 1.031 20 0 BDADMP CS[C@H](C)CC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235977337 966188602 /nfs/dbraw/zinc/18/86/02/966188602.db2.gz GNKBZPKWERSWEM-GMTAPVOTSA-N 2 1 214.378 1.551 20 0 BDADMP CCOC(C)(C)C[NH+]1CC(C)(C[NH3+])C1 ZINC001206712205 966257862 /nfs/dbraw/zinc/25/78/62/966257862.db2.gz WQAOAEKXTMKPRC-UHFFFAOYSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1CN(Cc2[nH+]cn3ccccc23)C[C@@H](C)[NH2+]1 ZINC001236580387 966461227 /nfs/dbraw/zinc/46/12/27/966461227.db2.gz YZZAFFDHOHOHAE-VXGBXAGGSA-N 2 1 244.342 1.517 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205222036 966879216 /nfs/dbraw/zinc/87/92/16/966879216.db2.gz ZUDKZFZOFQZDTB-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP CCc1cc(C[N@@H+](CC)CCn2ccnc2)on1 ZINC001203229389 967009876 /nfs/dbraw/zinc/00/98/76/967009876.db2.gz VDPPZZFIGQTLIV-UHFFFAOYSA-N 2 1 248.330 1.956 20 0 BDADMP CCc1cc(CN(CC)CCn2ccnc2)on1 ZINC001203229389 967009882 /nfs/dbraw/zinc/00/98/82/967009882.db2.gz VDPPZZFIGQTLIV-UHFFFAOYSA-N 2 1 248.330 1.956 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](CC2CCSCC2)C1 ZINC001204763954 967156380 /nfs/dbraw/zinc/15/63/80/967156380.db2.gz ULSMQEBIMWFRFY-LLVKDONJSA-N 2 1 214.378 1.553 20 0 BDADMP C[C@H]1CC(=O)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC000715562354 967182721 /nfs/dbraw/zinc/18/27/21/967182721.db2.gz ONAQNWVHCMPDFU-HIFPTAJRSA-N 2 1 238.375 1.913 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](OC3CCC3)C2)C1 ZINC000693559740 967261732 /nfs/dbraw/zinc/26/17/32/967261732.db2.gz OLRIYNUOLBIBFC-MBNYWOFBSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1CCC1CC[NH+](C)CC1 ZINC001205058022 967313434 /nfs/dbraw/zinc/31/34/34/967313434.db2.gz CLSOLXHIZIPPLV-JSGCOSHPSA-N 2 1 239.407 1.530 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1CCC1CC[NH+](C)CC1 ZINC001205058022 967313438 /nfs/dbraw/zinc/31/34/38/967313438.db2.gz CLSOLXHIZIPPLV-JSGCOSHPSA-N 2 1 239.407 1.530 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1c[nH]c2cnccc12 ZINC001205074985 967329116 /nfs/dbraw/zinc/32/91/16/967329116.db2.gz DGAADFFQLDGRKH-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c2cnccc12 ZINC001205074985 967329122 /nfs/dbraw/zinc/32/91/22/967329122.db2.gz DGAADFFQLDGRKH-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c2cnccc12 ZINC001205074985 967329128 /nfs/dbraw/zinc/32/91/28/967329128.db2.gz DGAADFFQLDGRKH-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC001205089074 967340725 /nfs/dbraw/zinc/34/07/25/967340725.db2.gz XBIFJCFERLACKK-ZDUSSCGKSA-N 3 1 225.380 1.189 20 0 BDADMP CC1(C[N@H+]2CCC[C@H]([NH3+])CC2)CCOCC1 ZINC001205094968 967341906 /nfs/dbraw/zinc/34/19/06/967341906.db2.gz RROFEUHXSHNKEQ-LBPRGKRZSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccn3ccnc23)CC1 ZINC001205110632 967361046 /nfs/dbraw/zinc/36/10/46/967361046.db2.gz XJTHDIDIGBECNO-CYBMUJFWSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3nccnc23)CC1 ZINC001205117138 967364097 /nfs/dbraw/zinc/36/40/97/967364097.db2.gz LPJWUVWAWDUBAU-NSHDSACASA-N 2 1 245.330 1.223 20 0 BDADMP Cc1nc(N)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117959 967371066 /nfs/dbraw/zinc/37/10/66/967371066.db2.gz ZPUXWHMZWNJCQX-GFCCVEGCSA-N 2 1 234.347 1.285 20 0 BDADMP COc1cnccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136113 967380321 /nfs/dbraw/zinc/38/03/21/967380321.db2.gz OZDUPVUAVANTQK-CMPLNLGQSA-N 2 1 235.331 1.117 20 0 BDADMP COc1cnccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136113 967380330 /nfs/dbraw/zinc/38/03/30/967380330.db2.gz OZDUPVUAVANTQK-CMPLNLGQSA-N 2 1 235.331 1.117 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1CCSCC1 ZINC001205170837 967413291 /nfs/dbraw/zinc/41/32/91/967413291.db2.gz GDNGSIMYBLBJCD-MWLCHTKSSA-N 2 1 214.378 1.551 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1N ZINC001205141144 967392071 /nfs/dbraw/zinc/39/20/71/967392071.db2.gz XHAWXLLLDXOKFG-CMPLNLGQSA-N 2 1 249.358 1.304 20 0 BDADMP CNc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205150739 967393021 /nfs/dbraw/zinc/39/30/21/967393021.db2.gz JEAIJYPIDIJVAA-WCQYABFASA-N 2 1 233.359 1.755 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C[C@H]1C[NH3+] ZINC001205151124 967397763 /nfs/dbraw/zinc/39/77/63/967397763.db2.gz PNMTZKXFDLJKNM-XHDPSFHLSA-N 2 1 245.370 1.316 20 0 BDADMP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)C[C@H]1C[NH3+] ZINC001205151124 967397769 /nfs/dbraw/zinc/39/77/69/967397769.db2.gz PNMTZKXFDLJKNM-XHDPSFHLSA-N 2 1 245.370 1.316 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1CC1CC2(C1)CC[NH2+]CC2 ZINC001205171399 967409311 /nfs/dbraw/zinc/40/93/11/967409311.db2.gz PDWHUNZHPPBFGZ-DGCLKSJQSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205171399 967409306 /nfs/dbraw/zinc/40/93/06/967409306.db2.gz PDWHUNZHPPBFGZ-DGCLKSJQSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205171399 967409316 /nfs/dbraw/zinc/40/93/16/967409316.db2.gz PDWHUNZHPPBFGZ-DGCLKSJQSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001205171399 967409319 /nfs/dbraw/zinc/40/93/19/967409319.db2.gz PDWHUNZHPPBFGZ-DGCLKSJQSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@H]1CCOC(C)(C)C1 ZINC001205171025 967410002 /nfs/dbraw/zinc/41/00/02/967410002.db2.gz JMKASHNISKIVMP-GRYCIOLGSA-N 2 1 226.364 1.613 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)nc1 ZINC001205228375 967427466 /nfs/dbraw/zinc/42/74/66/967427466.db2.gz DVPSWTMUDXVGFI-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccnc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205210334 967428905 /nfs/dbraw/zinc/42/89/05/967428905.db2.gz NTHDDZJUJYKZGX-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209773 967430906 /nfs/dbraw/zinc/43/09/06/967430906.db2.gz LCEOXHUEBJCPMA-HNNXBMFYSA-N 2 1 248.370 1.671 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257511 967443337 /nfs/dbraw/zinc/44/33/37/967443337.db2.gz WEVUFYSPGDDVST-LBPRGKRZSA-N 2 1 228.336 1.143 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ncccc2O)CC1 ZINC001205264819 967454810 /nfs/dbraw/zinc/45/48/10/967454810.db2.gz NFAQBZYISLGKLR-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265338 967455359 /nfs/dbraw/zinc/45/53/59/967455359.db2.gz PYNMHAPAQBPGTR-ZDUSSCGKSA-N 2 1 236.363 1.432 20 0 BDADMP CNc1nccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205274402 967465139 /nfs/dbraw/zinc/46/51/39/967465139.db2.gz XCTGZKKGWADUGL-CYBMUJFWSA-N 2 1 249.362 1.222 20 0 BDADMP CNc1nccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205274402 967465154 /nfs/dbraw/zinc/46/51/54/967465154.db2.gz XCTGZKKGWADUGL-CYBMUJFWSA-N 2 1 249.362 1.222 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(C[NH3+])c2)CC1 ZINC001205288946 967485518 /nfs/dbraw/zinc/48/55/18/967485518.db2.gz QLQKCLCRTGWPOE-OAHLLOKOSA-N 3 1 247.386 1.849 20 0 BDADMP C[C@@]1([NH3+])CCCN(Cc2cccc(C[NH3+])c2)CC1 ZINC001205288946 967485532 /nfs/dbraw/zinc/48/55/32/967485532.db2.gz QLQKCLCRTGWPOE-OAHLLOKOSA-N 2 1 247.386 1.849 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001205296172 967499435 /nfs/dbraw/zinc/49/94/35/967499435.db2.gz IIFZAYAWHVMGAL-CHWSQXEVSA-N 3 1 239.407 1.293 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc[nH]2)CC1 ZINC001205545584 967664087 /nfs/dbraw/zinc/66/40/87/967664087.db2.gz JPVGEUHYCJUAHB-LBPRGKRZSA-N 2 1 225.311 1.668 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001205536899 967666952 /nfs/dbraw/zinc/66/69/52/967666952.db2.gz BSZHYJMQVUCYJK-CPCZMJQVSA-N 3 1 241.354 1.021 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCC[NH3+])CC[C@@]1(C)O ZINC001205539375 967681056 /nfs/dbraw/zinc/68/10/56/967681056.db2.gz XSSBCAWHLGCZKQ-VXGBXAGGSA-N 2 1 214.353 1.208 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ncccn2)CC1 ZINC001205545299 967687772 /nfs/dbraw/zinc/68/77/72/967687772.db2.gz CIXSNHBFKASDLM-GFCCVEGCSA-N 2 1 238.310 1.130 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ncccn2)CC1 ZINC001205545299 967687777 /nfs/dbraw/zinc/68/77/77/967687777.db2.gz CIXSNHBFKASDLM-GFCCVEGCSA-N 2 1 238.310 1.130 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC001205546277 967688949 /nfs/dbraw/zinc/68/89/49/967688949.db2.gz TZXPQVNWTRCESM-NSHDSACASA-N 2 1 226.299 1.063 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ncc[nH]2)CC1 ZINC001205546277 967688961 /nfs/dbraw/zinc/68/89/61/967688961.db2.gz TZXPQVNWTRCESM-NSHDSACASA-N 2 1 226.299 1.063 20 0 BDADMP C[C@H]1CC[N@@H+](CCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205603631 967719366 /nfs/dbraw/zinc/71/93/66/967719366.db2.gz RIKVDRRUICXEPC-RYUDHWBXSA-N 3 1 213.369 1.032 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001205603587 967720122 /nfs/dbraw/zinc/72/01/22/967720122.db2.gz QPPVIVSCBJDSBY-GXTWGEPZSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205603632 967720804 /nfs/dbraw/zinc/72/08/04/967720804.db2.gz RIKVDRRUICXEPC-VXGBXAGGSA-N 3 1 213.369 1.032 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CC[C@H]1C[NH3+] ZINC001205618911 967728010 /nfs/dbraw/zinc/72/80/10/967728010.db2.gz ZCTMFQGKGYHWKX-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncccn2)CC[C@@H]1C[NH3+] ZINC001205617831 967729252 /nfs/dbraw/zinc/72/92/52/967729252.db2.gz OJDFGVSJBCWYDC-NWDGAFQWSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnsc2)CC[C@H]1C[NH3+] ZINC001205638413 967734387 /nfs/dbraw/zinc/73/43/87/967734387.db2.gz NTLDISVTCZPNNA-JQWIXIFHSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccnnc2)CC[C@H]1C[NH3+] ZINC001205627096 967736128 /nfs/dbraw/zinc/73/61/28/967736128.db2.gz MNHRECAKUNMDJC-YPMHNXCESA-N 2 1 234.347 1.283 20 0 BDADMP Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c[nH]1 ZINC001205639300 967738322 /nfs/dbraw/zinc/73/83/22/967738322.db2.gz YRSNOBBXZMAMKR-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205639300 967738333 /nfs/dbraw/zinc/73/83/33/967738333.db2.gz YRSNOBBXZMAMKR-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)[nH]1 ZINC001205639300 967738344 /nfs/dbraw/zinc/73/83/44/967738344.db2.gz YRSNOBBXZMAMKR-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2c[nH]ccc2=O)CC[C@H]1C[NH3+] ZINC001205652254 967744018 /nfs/dbraw/zinc/74/40/18/967744018.db2.gz OSZUYEDZMWJYSN-NEPJUHHUSA-N 2 1 249.358 1.182 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001205664579 967758774 /nfs/dbraw/zinc/75/87/74/967758774.db2.gz OIXWQCQORBCETC-UONOGXRCSA-N 2 1 238.375 1.518 20 0 BDADMP Cc1cccnc1C[N@@H+](C)C1CCN(C)CC1 ZINC001205763693 967814649 /nfs/dbraw/zinc/81/46/49/967814649.db2.gz UNVJFJRPTQTMIT-UHFFFAOYSA-N 2 1 233.359 1.916 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001205863490 967862231 /nfs/dbraw/zinc/86/22/31/967862231.db2.gz YIORQBNFWIZVNZ-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001205863490 967862232 /nfs/dbraw/zinc/86/22/32/967862232.db2.gz YIORQBNFWIZVNZ-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001205940048 967894286 /nfs/dbraw/zinc/89/42/86/967894286.db2.gz ZHQYNRZKTKZHAP-CYBMUJFWSA-N 2 1 245.370 1.968 20 0 BDADMP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001205940048 967894288 /nfs/dbraw/zinc/89/42/88/967894288.db2.gz ZHQYNRZKTKZHAP-CYBMUJFWSA-N 2 1 245.370 1.968 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001205952810 967900624 /nfs/dbraw/zinc/90/06/24/967900624.db2.gz BCNPUHYGEHDNBM-HUUCEWRRSA-N 2 1 246.354 1.458 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985321 967929404 /nfs/dbraw/zinc/92/94/04/967929404.db2.gz XIQFNOSJPFAXCK-NEPJUHHUSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@H]1C[N@@H+](CC23CC([NH3+])(C2)C3)CCC[C@H]1C[NH3+] ZINC001205982192 967934130 /nfs/dbraw/zinc/93/41/30/967934130.db2.gz LKYJUXACRRVGQE-FEPKRQSRSA-N 3 1 237.391 1.175 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCC[NH3+])CCC[C@H]1C[NH3+] ZINC001205984229 967937301 /nfs/dbraw/zinc/93/73/01/967937301.db2.gz RLPFTEMBHJWBHR-OLZOCXBDSA-N 3 1 227.396 1.422 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncc[nH]2)CCC[C@H]1C[NH3+] ZINC001205992133 967939181 /nfs/dbraw/zinc/93/91/81/967939181.db2.gz DUXUDMGDFVJQJH-MNOVXSKESA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCC[C@@H]1C[NH3+] ZINC001206011790 967963940 /nfs/dbraw/zinc/96/39/40/967963940.db2.gz GOSPAWZJXHSXMP-DGCLKSJQSA-N 2 1 248.374 1.471 20 0 BDADMP COC1CCC(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001206053405 968026247 /nfs/dbraw/zinc/02/62/47/968026247.db2.gz USWPZBCBDCGANA-IKWCTNDRSA-N 2 1 226.364 1.471 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001206154226 968092978 /nfs/dbraw/zinc/09/29/78/968092978.db2.gz HQEIAXNFOBGNKS-CHWSQXEVSA-N 2 1 243.370 1.089 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001206154226 968092996 /nfs/dbraw/zinc/09/29/96/968092996.db2.gz HQEIAXNFOBGNKS-CHWSQXEVSA-N 3 1 243.370 1.089 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001206154226 968093006 /nfs/dbraw/zinc/09/30/06/968093006.db2.gz HQEIAXNFOBGNKS-CHWSQXEVSA-N 3 1 243.370 1.089 20 0 BDADMP C[C@@H]1CCSCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693592762 968099889 /nfs/dbraw/zinc/09/98/89/968099889.db2.gz QOHKNUUNDITAGT-MXWKQRLJSA-N 2 1 214.378 1.551 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206165348 968104080 /nfs/dbraw/zinc/10/40/80/968104080.db2.gz NLGHSJBLUUIHOT-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206165348 968104088 /nfs/dbraw/zinc/10/40/88/968104088.db2.gz NLGHSJBLUUIHOT-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP C[NH+](C)CCO[C@H]1CCC[N@@H+](C)CC1 ZINC001206272229 968180650 /nfs/dbraw/zinc/18/06/50/968180650.db2.gz DWXJCOYYSAAJQX-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001206278092 968194798 /nfs/dbraw/zinc/19/47/98/968194798.db2.gz YNEXWBLJQFZECP-GFCCVEGCSA-N 3 1 233.359 1.187 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001206278092 968194803 /nfs/dbraw/zinc/19/48/03/968194803.db2.gz YNEXWBLJQFZECP-GFCCVEGCSA-N 3 1 233.359 1.187 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001206305455 968214357 /nfs/dbraw/zinc/21/43/57/968214357.db2.gz ZTHUOEGYHQHKFF-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccon2)CC1 ZINC001206305380 968214529 /nfs/dbraw/zinc/21/45/29/968214529.db2.gz YBWFUPCMXRTTCP-LBPRGKRZSA-N 2 1 223.320 1.626 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@H]2CCCO2)C1 ZINC001206337694 968244276 /nfs/dbraw/zinc/24/42/76/968244276.db2.gz VJPKGWQQIYZPOL-NEPJUHHUSA-N 2 1 230.327 1.318 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@H]2CCCO2)C1 ZINC001206337694 968244283 /nfs/dbraw/zinc/24/42/83/968244283.db2.gz VJPKGWQQIYZPOL-NEPJUHHUSA-N 2 1 230.327 1.318 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC001206337880 968245627 /nfs/dbraw/zinc/24/56/27/968245627.db2.gz WMBJCKCIKYYARB-CHWSQXEVSA-N 2 1 242.338 1.832 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001206337880 968245639 /nfs/dbraw/zinc/24/56/39/968245639.db2.gz WMBJCKCIKYYARB-CHWSQXEVSA-N 2 1 242.338 1.832 20 0 BDADMP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206457947 968320483 /nfs/dbraw/zinc/32/04/83/968320483.db2.gz VPPNACOKRJHPKT-XDQVBPFNSA-N 2 1 238.375 1.230 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206464361 968325618 /nfs/dbraw/zinc/32/56/18/968325618.db2.gz NLUVGWNRHKWCAY-UONOGXRCSA-N 2 1 234.343 1.055 20 0 BDADMP CC(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206476918 968328382 /nfs/dbraw/zinc/32/83/82/968328382.db2.gz YHPYKPMXKFQDLK-DZGCQCFKSA-N 2 1 248.370 1.561 20 0 BDADMP CC[C@@H](O)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001251799506 968337550 /nfs/dbraw/zinc/33/75/50/968337550.db2.gz AZFNFBSTPQILPC-HZSPNIEDSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206512822 968343561 /nfs/dbraw/zinc/34/35/61/968343561.db2.gz UMPDQDZEADUKIW-KBPBESRZSA-N 2 1 234.343 1.055 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC001206542182 968366344 /nfs/dbraw/zinc/36/63/44/968366344.db2.gz UNKLUCSFJRONIV-CHWSQXEVSA-N 2 1 226.364 1.474 20 0 BDADMP COCCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542043 968367302 /nfs/dbraw/zinc/36/73/02/968367302.db2.gz PTOULQQAIRBERY-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ncccc2N)C1 ZINC001206547170 968372159 /nfs/dbraw/zinc/37/21/59/968372159.db2.gz CKDQZZOFOGNVRP-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP Cn1cccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606552 968403048 /nfs/dbraw/zinc/40/30/48/968403048.db2.gz PEGGRFXAQDIHQR-LBPRGKRZSA-N 2 1 221.348 1.586 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001206606841 968415032 /nfs/dbraw/zinc/41/50/32/968415032.db2.gz UUANOJRZPBFCFK-LBPRGKRZSA-N 3 1 243.370 1.139 20 0 BDADMP CCc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)on1 ZINC001206606563 968415303 /nfs/dbraw/zinc/41/53/03/968415303.db2.gz PIESYEWJKVNSHH-LLVKDONJSA-N 2 1 237.347 1.798 20 0 BDADMP CCc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)on1 ZINC001206606563 968415313 /nfs/dbraw/zinc/41/53/13/968415313.db2.gz PIESYEWJKVNSHH-LLVKDONJSA-N 2 1 237.347 1.798 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccncc2F)C1 ZINC001206616424 968418088 /nfs/dbraw/zinc/41/80/88/968418088.db2.gz OAOQRLKBXGTKJE-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccncc2F)C1 ZINC001206616424 968418095 /nfs/dbraw/zinc/41/80/95/968418095.db2.gz OAOQRLKBXGTKJE-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP Nc1ncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)s1 ZINC001206623493 968424028 /nfs/dbraw/zinc/42/40/28/968424028.db2.gz LYZQCGSKFGNZJP-SECBINFHSA-N 2 1 240.376 1.286 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccnnc2)C1 ZINC001206624636 968424352 /nfs/dbraw/zinc/42/43/52/968424352.db2.gz XVOQEDBMTVVGFO-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccnnc2)C1 ZINC001206624636 968424356 /nfs/dbraw/zinc/42/43/56/968424356.db2.gz XVOQEDBMTVVGFO-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP Cc1ncn(C)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640294 968428532 /nfs/dbraw/zinc/42/85/32/968428532.db2.gz IHGZGCHIDVSDTJ-LBPRGKRZSA-N 2 1 236.363 1.289 20 0 BDADMP C[N@H+]1CCC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206700914 968436430 /nfs/dbraw/zinc/43/64/30/968436430.db2.gz JZBQVTINXISXMF-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP CN(CC[NH+](C)C)Cc1[nH+]cc2ccccn21 ZINC001207048283 968573653 /nfs/dbraw/zinc/57/36/53/968573653.db2.gz IOVBHQPCMINJCI-UHFFFAOYSA-N 2 1 232.331 1.328 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275035 968705677 /nfs/dbraw/zinc/70/56/77/968705677.db2.gz ISFLMQYNQGQUFL-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)[C@H]1CO ZINC001207274740 968706575 /nfs/dbraw/zinc/70/65/75/968706575.db2.gz FWSXJTQGQWNEEP-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207282288 968711379 /nfs/dbraw/zinc/71/13/79/968711379.db2.gz GNCPURWMNSEVGP-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207282288 968711383 /nfs/dbraw/zinc/71/13/83/968711383.db2.gz GNCPURWMNSEVGP-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@@H+](CCCO)CC(C)(C)C[NH+](C)C ZINC001207287200 968719139 /nfs/dbraw/zinc/71/91/39/968719139.db2.gz ZERLQZHPCDERDT-UHFFFAOYSA-N 2 1 230.396 1.667 20 0 BDADMP C[N@H+](Cc1ccno1)CC1CC[NH+](C)CC1 ZINC001207399621 968749979 /nfs/dbraw/zinc/74/99/79/968749979.db2.gz PRHGDRFJJFMZQA-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001207399643 968752224 /nfs/dbraw/zinc/75/22/24/968752224.db2.gz QBYKQUQGJVEHNO-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C1(C)COC1 ZINC001207398696 968753400 /nfs/dbraw/zinc/75/34/00/968753400.db2.gz JFPHXDBBHLMXAM-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC1(F)F ZINC001207436512 968769781 /nfs/dbraw/zinc/76/97/81/968769781.db2.gz LEAPFKOUFSRSOY-JTQLQIEISA-N 2 1 232.318 1.963 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@@H]1O ZINC001207436471 968770153 /nfs/dbraw/zinc/77/01/53/968770153.db2.gz IUGPLQGYGYEBIF-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCC1=O ZINC001207436880 968770261 /nfs/dbraw/zinc/77/02/61/968770261.db2.gz VVWGNRVPEXLCJQ-NSHDSACASA-N 2 1 224.348 1.287 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001207436328 968771421 /nfs/dbraw/zinc/77/14/21/968771421.db2.gz FEVYGLMRNWHRMM-GXTWGEPZSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@]1(CF)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436585 968771453 /nfs/dbraw/zinc/77/14/53/968771453.db2.gz OQPLLFUIJQKUMK-GFCCVEGCSA-N 2 1 214.328 1.668 20 0 BDADMP Cc1cc2c(cn1)C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207439371 968773700 /nfs/dbraw/zinc/77/37/00/968773700.db2.gz PTRQUCUJOHEYJJ-UHFFFAOYSA-N 2 1 231.343 1.705 20 0 BDADMP C1CC1[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CO1 ZINC000691410405 968917346 /nfs/dbraw/zinc/91/73/46/968917346.db2.gz JJAMZFMNJHJHQQ-YQFOFLOKSA-N 2 1 248.370 1.140 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CC3(C)CCOCC3)C[C@@H]2C1 ZINC001208077966 968979927 /nfs/dbraw/zinc/97/99/27/968979927.db2.gz ZBXNOWWXEXFDRT-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3(C)CCOCC3)C[C@@H]2C1 ZINC001208077966 968979935 /nfs/dbraw/zinc/97/99/35/968979935.db2.gz ZBXNOWWXEXFDRT-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3(C)CCOCC3)C[C@@H]2C1 ZINC001208077966 968979939 /nfs/dbraw/zinc/97/99/39/968979939.db2.gz ZBXNOWWXEXFDRT-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCn1cccn1)C2 ZINC001208083812 968989338 /nfs/dbraw/zinc/98/93/38/968989338.db2.gz JPCVAPZXSHLEIZ-ZIAGYGMSSA-N 2 1 248.374 1.157 20 0 BDADMP O[C@@H](C[NH2+]CCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC001252860706 969038029 /nfs/dbraw/zinc/03/80/29/969038029.db2.gz ZYHKVXCPSJXRDW-LBPRGKRZSA-N 2 1 249.289 1.415 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2CO)CCCC1 ZINC001208185055 969118927 /nfs/dbraw/zinc/11/89/27/969118927.db2.gz UZRFMXHJFOOAAS-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001208592213 969149112 /nfs/dbraw/zinc/14/91/12/969149112.db2.gz DZRHKDDFCNNKDQ-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001208598762 969151506 /nfs/dbraw/zinc/15/15/06/969151506.db2.gz XKDUNUBFDYTLTM-BETUJISGSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+](C)C1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208605099 969153525 /nfs/dbraw/zinc/15/35/25/969153525.db2.gz YSKGWOYFVWCDFJ-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC001208605093 969153627 /nfs/dbraw/zinc/15/36/27/969153627.db2.gz YMZJTZUPPOWDEU-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC001208605093 969153632 /nfs/dbraw/zinc/15/36/32/969153632.db2.gz YMZJTZUPPOWDEU-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC001208605093 969153637 /nfs/dbraw/zinc/15/36/37/969153637.db2.gz YMZJTZUPPOWDEU-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208604405 969154641 /nfs/dbraw/zinc/15/46/41/969154641.db2.gz OJILWYQWKZWSJW-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208604828 969154663 /nfs/dbraw/zinc/15/46/63/969154663.db2.gz WRUFQMIFOZCDPI-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208604828 969154667 /nfs/dbraw/zinc/15/46/67/969154667.db2.gz WRUFQMIFOZCDPI-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208607203 969160235 /nfs/dbraw/zinc/16/02/35/969160235.db2.gz JQJOJNOHQIIMSU-GRYCIOLGSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208607203 969160241 /nfs/dbraw/zinc/16/02/41/969160241.db2.gz JQJOJNOHQIIMSU-GRYCIOLGSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@@H](F)C[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208607203 969160249 /nfs/dbraw/zinc/16/02/49/969160249.db2.gz JQJOJNOHQIIMSU-GRYCIOLGSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@@H](F)C[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208607203 969160256 /nfs/dbraw/zinc/16/02/56/969160256.db2.gz JQJOJNOHQIIMSU-GRYCIOLGSA-N 2 1 214.328 1.761 20 0 BDADMP COC[C@@H]1CC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208616134 969172138 /nfs/dbraw/zinc/17/21/38/969172138.db2.gz ZIYVHUSSLWWNIP-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H]1CC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208616134 969172144 /nfs/dbraw/zinc/17/21/44/969172144.db2.gz ZIYVHUSSLWWNIP-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H]1CC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208616134 969172149 /nfs/dbraw/zinc/17/21/49/969172149.db2.gz ZIYVHUSSLWWNIP-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]12 ZINC001208618300 969176629 /nfs/dbraw/zinc/17/66/29/969176629.db2.gz WAWJUOOJXGQHOR-AAVRWANBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1CO[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](C)C3)C[C@H]12 ZINC001208618300 969176633 /nfs/dbraw/zinc/17/66/33/969176633.db2.gz WAWJUOOJXGQHOR-AAVRWANBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1CO[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](C)C3)C[C@H]12 ZINC001208618300 969176638 /nfs/dbraw/zinc/17/66/38/969176638.db2.gz WAWJUOOJXGQHOR-AAVRWANBSA-N 2 1 238.375 1.295 20 0 BDADMP C(C[NH+]1CCC([NH+]2CCC2)CC1)C1CC1 ZINC001208686869 969195655 /nfs/dbraw/zinc/19/56/55/969195655.db2.gz SLMUHLKHINQBJJ-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc[nH]c2=O)CCC[C@H]1C[NH3+] ZINC001205995845 969265992 /nfs/dbraw/zinc/26/59/92/969265992.db2.gz RBCYZLOXNIHVCX-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079183 969397993 /nfs/dbraw/zinc/39/79/93/969397993.db2.gz JIPSHRNSPQVNPT-YVECIDJPSA-N 2 1 226.364 1.218 20 0 BDADMP Cn1cnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169078742 969398613 /nfs/dbraw/zinc/39/86/13/969398613.db2.gz FUAGPHLOWHGDQR-ZSOGYDGISA-N 2 1 248.374 1.177 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccncc1)C2 ZINC001169081281 969401715 /nfs/dbraw/zinc/40/17/15/969401715.db2.gz PRUUDWSCFMHQLX-QKDCVEJESA-N 2 1 245.370 1.839 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccncc1)C2 ZINC001169081280 969403959 /nfs/dbraw/zinc/40/39/59/969403959.db2.gz PRUUDWSCFMHQLX-QDMKHBRRSA-N 2 1 245.370 1.839 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169089546 969410143 /nfs/dbraw/zinc/41/01/43/969410143.db2.gz CHCKGXJDISCVIQ-CNDDSTCGSA-N 2 1 226.364 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@]1(C)CCOC1)C2 ZINC001169118278 969411843 /nfs/dbraw/zinc/41/18/43/969411843.db2.gz GOSPBEKEPWVOTD-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125447 969428089 /nfs/dbraw/zinc/42/80/89/969428089.db2.gz IPKBERFUHPEWEF-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125447 969428093 /nfs/dbraw/zinc/42/80/93/969428093.db2.gz IPKBERFUHPEWEF-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125447 969428096 /nfs/dbraw/zinc/42/80/96/969428096.db2.gz IPKBERFUHPEWEF-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001169126969 969430391 /nfs/dbraw/zinc/43/03/91/969430391.db2.gz YNYABJPYUYOPNU-DGTMBMJNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1O ZINC001169126969 969430399 /nfs/dbraw/zinc/43/03/99/969430399.db2.gz YNYABJPYUYOPNU-DGTMBMJNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1O ZINC001169126969 969430408 /nfs/dbraw/zinc/43/04/08/969430408.db2.gz YNYABJPYUYOPNU-DGTMBMJNSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(O)C1)C2 ZINC001169127138 969431373 /nfs/dbraw/zinc/43/13/73/969431373.db2.gz ZYTKEHUATOLYML-MROQNXINSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@](C)(O)C1)C2 ZINC001169127138 969431380 /nfs/dbraw/zinc/43/13/80/969431380.db2.gz ZYTKEHUATOLYML-MROQNXINSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@](C)(O)C1)C2 ZINC001169127138 969431385 /nfs/dbraw/zinc/43/13/85/969431385.db2.gz ZYTKEHUATOLYML-MROQNXINSA-N 2 1 224.348 1.068 20 0 BDADMP CC[N@@H+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169127087 969431562 /nfs/dbraw/zinc/43/15/62/969431562.db2.gz ZQMPWCGYWUCJIZ-CLLJXQQHSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169127087 969431570 /nfs/dbraw/zinc/43/15/70/969431570.db2.gz ZQMPWCGYWUCJIZ-CLLJXQQHSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169127087 969431576 /nfs/dbraw/zinc/43/15/76/969431576.db2.gz ZQMPWCGYWUCJIZ-CLLJXQQHSA-N 2 1 226.364 1.580 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc3c1C[NH2+]CC3)C2 ZINC001169126513 969433695 /nfs/dbraw/zinc/43/36/95/969433695.db2.gz VOXYWARMTFOMKH-ZSBIGDGJSA-N 2 1 246.358 1.327 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001169128993 969441331 /nfs/dbraw/zinc/44/13/31/969441331.db2.gz GQJRXMGEFHCNTL-CXYFJQCHSA-N 2 1 206.333 1.563 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001169128993 969441348 /nfs/dbraw/zinc/44/13/48/969441348.db2.gz GQJRXMGEFHCNTL-CXYFJQCHSA-N 2 1 206.333 1.563 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001169128993 969441373 /nfs/dbraw/zinc/44/13/73/969441373.db2.gz GQJRXMGEFHCNTL-CXYFJQCHSA-N 2 1 206.333 1.563 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC(C)(C)O)C2 ZINC001169108674 969445068 /nfs/dbraw/zinc/44/50/68/969445068.db2.gz UYLSHHMWNYXWNY-XYYAHUGASA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1COC(C)(C)C1)C2 ZINC001169112675 969455620 /nfs/dbraw/zinc/45/56/20/969455620.db2.gz RQXKNYCOWZQRBD-FVCCEPFGSA-N 2 1 238.375 1.769 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169112835 969457013 /nfs/dbraw/zinc/45/70/13/969457013.db2.gz TYQXRXSZISWNDF-XDQVBPFNSA-N 2 1 240.391 1.752 20 0 BDADMP CN1CC2(C1)CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169152209 969461952 /nfs/dbraw/zinc/46/19/52/969461952.db2.gz AWSRTPFYVUGKQH-BTTYYORXSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169152209 969461956 /nfs/dbraw/zinc/46/19/56/969461956.db2.gz AWSRTPFYVUGKQH-BTTYYORXSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169152209 969461963 /nfs/dbraw/zinc/46/19/63/969461963.db2.gz AWSRTPFYVUGKQH-BTTYYORXSA-N 2 1 249.402 1.249 20 0 BDADMP CN([C@H]1CC[N@@H+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142847 969466673 /nfs/dbraw/zinc/46/66/73/969466673.db2.gz WUWYPGFOVNOBBB-CRWXNKLISA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142847 969466678 /nfs/dbraw/zinc/46/66/78/969466678.db2.gz WUWYPGFOVNOBBB-CRWXNKLISA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142847 969466682 /nfs/dbraw/zinc/46/66/82/969466682.db2.gz WUWYPGFOVNOBBB-CRWXNKLISA-N 2 1 237.391 1.248 20 0 BDADMP CSCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153884 969474635 /nfs/dbraw/zinc/47/46/35/969474635.db2.gz LOZMRLVMSGOPEQ-ZSBIGDGJSA-N 2 1 228.405 1.906 20 0 BDADMP CSCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153884 969474642 /nfs/dbraw/zinc/47/46/42/969474642.db2.gz LOZMRLVMSGOPEQ-ZSBIGDGJSA-N 2 1 228.405 1.906 20 0 BDADMP CSCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153884 969474655 /nfs/dbraw/zinc/47/46/55/969474655.db2.gz LOZMRLVMSGOPEQ-ZSBIGDGJSA-N 2 1 228.405 1.906 20 0 BDADMP CCC[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC001169231351 969511244 /nfs/dbraw/zinc/51/12/44/969511244.db2.gz ZYBALMAPQPPIHY-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001169264533 969521540 /nfs/dbraw/zinc/52/15/40/969521540.db2.gz HGPDRAXMIUXBOT-DRZSPHRISA-N 2 1 226.339 1.903 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)CC1 ZINC001169245211 969532267 /nfs/dbraw/zinc/53/22/67/969532267.db2.gz BUGOXABEIUXGBK-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@](C)(O)[C@@H](C)C2)CC1 ZINC001169245211 969532271 /nfs/dbraw/zinc/53/22/71/969532271.db2.gz BUGOXABEIUXGBK-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CCN1CCC([N@H+]2CCCO[C@H](C)C2)CC1 ZINC001169246668 969535199 /nfs/dbraw/zinc/53/51/99/969535199.db2.gz UFSVQUCRBWJHHF-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001169246668 969535200 /nfs/dbraw/zinc/53/52/00/969535200.db2.gz UFSVQUCRBWJHHF-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCOC2)CC1 ZINC001169258090 969545429 /nfs/dbraw/zinc/54/54/29/969545429.db2.gz ARGGYCFMYANRGZ-LBPRGKRZSA-N 2 1 212.337 1.191 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCOC2)CC1 ZINC001169258090 969545430 /nfs/dbraw/zinc/54/54/30/969545430.db2.gz ARGGYCFMYANRGZ-LBPRGKRZSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](C)CC(C)(C)CN1CC2(C1)CC[N@@H+](C)C2 ZINC001276657722 969567494 /nfs/dbraw/zinc/56/74/94/969567494.db2.gz ATAPPTMBTOVFCK-UHFFFAOYSA-N 2 1 239.407 1.212 20 0 BDADMP C[N@H+]1C[C@H]2CCCN(Cc3c[nH+]ccc3N)[C@@H]2C1 ZINC001209729936 969587910 /nfs/dbraw/zinc/58/79/10/969587910.db2.gz BQTNPOTTWQTCBF-BXUZGUMPSA-N 2 1 246.358 1.020 20 0 BDADMP CC[N@@H+](C)C1CCN(Cc2c[nH+]ccc2N)CC1 ZINC001209733185 969595893 /nfs/dbraw/zinc/59/58/93/969595893.db2.gz QQGPLYRUDVDPEE-UHFFFAOYSA-N 2 1 248.374 1.410 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c[nH]1 ZINC001206011829 969634492 /nfs/dbraw/zinc/63/44/92/969634492.db2.gz GTFKVFVZHAJGTQ-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001206011829 969634497 /nfs/dbraw/zinc/63/44/97/969634497.db2.gz GTFKVFVZHAJGTQ-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001206011829 969634503 /nfs/dbraw/zinc/63/45/03/969634503.db2.gz GTFKVFVZHAJGTQ-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2(C)CCOCC2)CC1 ZINC001254497493 969657124 /nfs/dbraw/zinc/65/71/24/969657124.db2.gz KGUAZRTWDLDEFP-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2(CO)CCCC2)CC1 ZINC001254500129 969657718 /nfs/dbraw/zinc/65/77/18/969657718.db2.gz FSLLPIHJINZEAM-LBPRGKRZSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)c2ccco2)CC1 ZINC001254497843 969657741 /nfs/dbraw/zinc/65/77/41/969657741.db2.gz OGZWIIFXONFDIS-RYUDHWBXSA-N 2 1 238.331 1.387 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254497845 969660620 /nfs/dbraw/zinc/66/06/20/969660620.db2.gz OIVHZAWVRIKAIA-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC001254497845 969660627 /nfs/dbraw/zinc/66/06/27/969660627.db2.gz OIVHZAWVRIKAIA-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC001254498353 969662797 /nfs/dbraw/zinc/66/27/97/969662797.db2.gz WSRMGWAYPIFDPV-IJLUTSLNSA-N 2 1 214.328 1.951 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cncnc2)CC1 ZINC001254501376 969666247 /nfs/dbraw/zinc/66/62/47/969666247.db2.gz UGSMVVMILIWCLD-LBPRGKRZSA-N 2 1 220.320 1.051 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cncnc2)CC1 ZINC001254501376 969666256 /nfs/dbraw/zinc/66/62/56/969666256.db2.gz UGSMVVMILIWCLD-LBPRGKRZSA-N 2 1 220.320 1.051 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](F)C2)CC1 ZINC001254502806 969666906 /nfs/dbraw/zinc/66/69/06/969666906.db2.gz HFXMCIWAVABMMS-GARJFASQSA-N 2 1 200.301 1.561 20 0 BDADMP C[N@H+]1CCC[C@H](N(CC[NH3+])c2ccccn2)CC1 ZINC001254506450 969675283 /nfs/dbraw/zinc/67/52/83/969675283.db2.gz SNKFBJNCSUVPAD-ZDUSSCGKSA-N 2 1 248.374 1.331 20 0 BDADMP C[C@@H]1COCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515677 969679092 /nfs/dbraw/zinc/67/90/92/969679092.db2.gz AQCCMOCDRRFTBB-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1COCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254515677 969679096 /nfs/dbraw/zinc/67/90/96/969679096.db2.gz AQCCMOCDRRFTBB-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1COCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515677 969679101 /nfs/dbraw/zinc/67/91/01/969679101.db2.gz AQCCMOCDRRFTBB-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@]2(C)CCOC2)CC1 ZINC001254512197 969682952 /nfs/dbraw/zinc/68/29/52/969682952.db2.gz KGYLEINKYXRCMR-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)c2ccncc2)CC1 ZINC001254514031 969689966 /nfs/dbraw/zinc/68/99/66/969689966.db2.gz IOSFZCKXGDZUBC-KBPBESRZSA-N 2 1 249.358 1.189 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517795 969694186 /nfs/dbraw/zinc/69/41/86/969694186.db2.gz YRSQGHHBXAFQHJ-WOPDTQHZSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517795 969694190 /nfs/dbraw/zinc/69/41/90/969694190.db2.gz YRSQGHHBXAFQHJ-WOPDTQHZSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254517795 969694195 /nfs/dbraw/zinc/69/41/95/969694195.db2.gz YRSQGHHBXAFQHJ-WOPDTQHZSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254517795 969694198 /nfs/dbraw/zinc/69/41/98/969694198.db2.gz YRSQGHHBXAFQHJ-WOPDTQHZSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517794 969701056 /nfs/dbraw/zinc/70/10/56/969701056.db2.gz YRSQGHHBXAFQHJ-UTUOFQBUSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517794 969701058 /nfs/dbraw/zinc/70/10/58/969701058.db2.gz YRSQGHHBXAFQHJ-UTUOFQBUSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254517794 969701060 /nfs/dbraw/zinc/70/10/60/969701060.db2.gz YRSQGHHBXAFQHJ-UTUOFQBUSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254517794 969701061 /nfs/dbraw/zinc/70/10/61/969701061.db2.gz YRSQGHHBXAFQHJ-UTUOFQBUSA-N 2 1 214.328 1.903 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCCCC23COC3)CC1 ZINC001254522553 969707220 /nfs/dbraw/zinc/70/72/20/969707220.db2.gz HAKHZMVCRVCZQN-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCCC23COC3)CC1 ZINC001254522553 969707226 /nfs/dbraw/zinc/70/72/26/969707226.db2.gz HAKHZMVCRVCZQN-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCCC23COC3)CC1 ZINC001254522553 969707228 /nfs/dbraw/zinc/70/72/28/969707228.db2.gz HAKHZMVCRVCZQN-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCCC23COC3)CC1 ZINC001254522553 969707237 /nfs/dbraw/zinc/70/72/37/969707237.db2.gz HAKHZMVCRVCZQN-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521874 969707643 /nfs/dbraw/zinc/70/76/43/969707643.db2.gz ZIULRYXSJBBFGR-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521874 969707651 /nfs/dbraw/zinc/70/76/51/969707651.db2.gz ZIULRYXSJBBFGR-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521874 969707656 /nfs/dbraw/zinc/70/76/56/969707656.db2.gz ZIULRYXSJBBFGR-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521874 969707668 /nfs/dbraw/zinc/70/76/68/969707668.db2.gz ZIULRYXSJBBFGR-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CC[C@H]1COCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254526986 969718091 /nfs/dbraw/zinc/71/80/91/969718091.db2.gz VDGGNYCLYYDDQZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@H]1COCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254526986 969718102 /nfs/dbraw/zinc/71/81/02/969718102.db2.gz VDGGNYCLYYDDQZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@H]1COCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254526986 969718107 /nfs/dbraw/zinc/71/81/07/969718107.db2.gz VDGGNYCLYYDDQZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@H]1COCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254526986 969718118 /nfs/dbraw/zinc/71/81/18/969718118.db2.gz VDGGNYCLYYDDQZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254526983 969721111 /nfs/dbraw/zinc/72/11/11/969721111.db2.gz VDGGNYCLYYDDQZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H]1COCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254526983 969721114 /nfs/dbraw/zinc/72/11/14/969721114.db2.gz VDGGNYCLYYDDQZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H]1COCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254526983 969721119 /nfs/dbraw/zinc/72/11/19/969721119.db2.gz VDGGNYCLYYDDQZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H]1COCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254526983 969721122 /nfs/dbraw/zinc/72/11/22/969721122.db2.gz VDGGNYCLYYDDQZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@H+]1CCN([C@H]2CCC[NH+](C)CC2)[C@H](C)C1 ZINC001254531167 969725322 /nfs/dbraw/zinc/72/53/22/969725322.db2.gz FNQAIIHYPJCOTJ-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@H+](C)CC2)[C@H](C)C1 ZINC001254531167 969725326 /nfs/dbraw/zinc/72/53/26/969725326.db2.gz FNQAIIHYPJCOTJ-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@@H+](C)CC2)[C@H](C)C1 ZINC001254531167 969725336 /nfs/dbraw/zinc/72/53/36/969725336.db2.gz FNQAIIHYPJCOTJ-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCOC[C@@H]2C2CC2)CC1 ZINC001254531931 969729128 /nfs/dbraw/zinc/72/91/28/969729128.db2.gz NBSCHKMGDAJGDP-UONOGXRCSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCOC[C@@H]2C2CC2)CC1 ZINC001254531931 969729134 /nfs/dbraw/zinc/72/91/34/969729134.db2.gz NBSCHKMGDAJGDP-UONOGXRCSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC001254531931 969729144 /nfs/dbraw/zinc/72/91/44/969729144.db2.gz NBSCHKMGDAJGDP-UONOGXRCSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC001254531931 969729150 /nfs/dbraw/zinc/72/91/50/969729150.db2.gz NBSCHKMGDAJGDP-UONOGXRCSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]1CCC[C@H](N2CCc3[nH+]ccn3CC2)CC1 ZINC001254530445 969730251 /nfs/dbraw/zinc/73/02/51/969730251.db2.gz YEGWPBBERKHKBY-ZDUSSCGKSA-N 2 1 248.374 1.226 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCc3[nH+]ccn3CC2)CC1 ZINC001254530445 969730256 /nfs/dbraw/zinc/73/02/56/969730256.db2.gz YEGWPBBERKHKBY-ZDUSSCGKSA-N 2 1 248.374 1.226 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1CCC[NH+](C)CC1 ZINC001254531085 969731052 /nfs/dbraw/zinc/73/10/52/969731052.db2.gz CXCNWUCTCLYSRX-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1CCC[N@H+](C)CC1 ZINC001254531085 969731060 /nfs/dbraw/zinc/73/10/60/969731060.db2.gz CXCNWUCTCLYSRX-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531085 969731067 /nfs/dbraw/zinc/73/10/67/969731067.db2.gz CXCNWUCTCLYSRX-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CCC[NH+](C)CC3)C[C@H]12 ZINC001254530198 969733133 /nfs/dbraw/zinc/73/31/33/969733133.db2.gz UZCBCRSHOZAPCD-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CCC[N@H+](C)CC3)C[C@H]12 ZINC001254530198 969733139 /nfs/dbraw/zinc/73/31/39/969733139.db2.gz UZCBCRSHOZAPCD-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CO[C@@H]2C[NH+]([C@H]3CCC[N@@H+](C)CC3)C[C@H]12 ZINC001254530198 969733152 /nfs/dbraw/zinc/73/31/52/969733152.db2.gz UZCBCRSHOZAPCD-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP Cc1c[nH]c2nc(NCC[C@H]3CCC[NH2+]3)[nH+]cc12 ZINC001169558431 969756647 /nfs/dbraw/zinc/75/66/47/969756647.db2.gz CCUWMXNVMYTNSP-SNVBAGLBSA-N 2 1 245.330 1.772 20 0 BDADMP CNc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169558713 969756947 /nfs/dbraw/zinc/75/69/47/969756947.db2.gz OPJBBAZEBZAKFH-SECBINFHSA-N 2 1 221.308 1.072 20 0 BDADMP CN(C)c1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169558770 969757319 /nfs/dbraw/zinc/75/73/19/969757319.db2.gz RSBRZCUFEQOFDP-SNVBAGLBSA-N 2 1 235.335 1.097 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254837417 969799496 /nfs/dbraw/zinc/79/94/96/969799496.db2.gz UKZBNWIJFVLAEU-CYBMUJFWSA-N 3 1 248.374 1.350 20 0 BDADMP CN([C@H]1CC[N@@H+](C)C1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254859128 969811654 /nfs/dbraw/zinc/81/16/54/969811654.db2.gz BVDIFLXHDVKWDS-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP COC(=[NH2+])c1cccc(-n2ccc(C[NH3+])c2)c1 ZINC001169725537 969817048 /nfs/dbraw/zinc/81/70/48/969817048.db2.gz JAGCZDMEFAGMGF-UHFFFAOYSA-N 2 1 229.283 1.908 20 0 BDADMP [NH3+]Cc1ccn(-c2cccn3c[nH+]cc23)c1 ZINC001169725367 969817118 /nfs/dbraw/zinc/81/71/18/969817118.db2.gz FWUSRMDFMJUQKM-UHFFFAOYSA-N 2 1 212.256 1.584 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254922873 969821468 /nfs/dbraw/zinc/82/14/68/969821468.db2.gz XCMSSRAECNZVHO-ITGUQSILSA-N 2 1 238.375 1.805 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1CCSCC1 ZINC001255080621 969873191 /nfs/dbraw/zinc/87/31/91/969873191.db2.gz VKGNQSKYIVOPDH-UHFFFAOYSA-N 2 1 225.361 1.761 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476001 969900700 /nfs/dbraw/zinc/90/07/00/969900700.db2.gz QTLJQMJQCUVQPT-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001210476001 969900708 /nfs/dbraw/zinc/90/07/08/969900708.db2.gz QTLJQMJQCUVQPT-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001210476001 969900721 /nfs/dbraw/zinc/90/07/21/969900721.db2.gz QTLJQMJQCUVQPT-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476001 969900728 /nfs/dbraw/zinc/90/07/28/969900728.db2.gz QTLJQMJQCUVQPT-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCSCC3)C[C@@H]2C1 ZINC001255094438 969933064 /nfs/dbraw/zinc/93/30/64/969933064.db2.gz YMZMWCBFHLBXDM-PHIMTYICSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C3CCSCC3)C[C@@H]2C1 ZINC001255094438 969933070 /nfs/dbraw/zinc/93/30/70/969933070.db2.gz YMZMWCBFHLBXDM-PHIMTYICSA-N 2 1 226.389 1.375 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCSC1 ZINC001255268873 970020347 /nfs/dbraw/zinc/02/03/47/970020347.db2.gz RGUZTWMMGXNSBY-VIFPVBQESA-N 2 1 211.334 1.371 20 0 BDADMP CCCC[C@@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001255314191 970086832 /nfs/dbraw/zinc/08/68/32/970086832.db2.gz XSVLCGYPTRFNGJ-GHMZBOCLSA-N 2 1 230.352 1.435 20 0 BDADMP CN(c1c[nH+]c2c(c1)CCCN2)C(C)(C)C[NH3+] ZINC001170061056 970120722 /nfs/dbraw/zinc/12/07/22/970120722.db2.gz YWJPKVYTUULGAT-UHFFFAOYSA-N 2 1 234.347 1.219 20 0 BDADMP C[N@H+]1CC[C@@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001255412611 970130527 /nfs/dbraw/zinc/13/05/27/970130527.db2.gz TUYKWVYFHJIDHB-GFCCVEGCSA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@H](n2ccc3ccc(C[NH3+])cc32)C1 ZINC001255411355 970131415 /nfs/dbraw/zinc/13/14/15/970131415.db2.gz GJHFJLDEFHMXCE-ZDUSSCGKSA-N 2 1 229.327 1.977 20 0 BDADMP C[N@H+]1CC[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001255412786 970131487 /nfs/dbraw/zinc/13/14/87/970131487.db2.gz SELBLAUHKJADHB-CHWSQXEVSA-N 2 1 231.343 1.081 20 0 BDADMP C[N@H+]1CC[C@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001255415792 970134044 /nfs/dbraw/zinc/13/40/44/970134044.db2.gz QFODLSGZGQLOCR-NSHDSACASA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001255414528 970135674 /nfs/dbraw/zinc/13/56/74/970135674.db2.gz XPDRGBXXTCVHBA-SNVBAGLBSA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC001255433339 970161773 /nfs/dbraw/zinc/16/17/73/970161773.db2.gz YOLYYEGRCCFBFT-CQSZACIVSA-N 2 1 237.391 1.251 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2CC[NH+](C)C2)C1 ZINC001255441037 970172404 /nfs/dbraw/zinc/17/24/04/970172404.db2.gz KFUROTQXKMMROZ-CHWSQXEVSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2CC[N@H+](C)C2)C1 ZINC001255441037 970172409 /nfs/dbraw/zinc/17/24/09/970172409.db2.gz KFUROTQXKMMROZ-CHWSQXEVSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC001255441037 970172415 /nfs/dbraw/zinc/17/24/15/970172415.db2.gz KFUROTQXKMMROZ-CHWSQXEVSA-N 2 1 225.380 1.105 20 0 BDADMP COC1CCC(n2c(C)c[nH+]c2CC[NH3+])CC1 ZINC001255445976 970181093 /nfs/dbraw/zinc/18/10/93/970181093.db2.gz UFDDZKHAMUZDMT-UHFFFAOYSA-N 2 1 237.347 1.823 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001255469519 970199789 /nfs/dbraw/zinc/19/97/89/970199789.db2.gz CEVHCTMZNQELTI-CYBMUJFWSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@@H](n2nnc3ccc(C[NH3+])cc32)C1 ZINC001255471811 970200795 /nfs/dbraw/zinc/20/07/95/970200795.db2.gz HGDXPSBBUVFCCS-LLVKDONJSA-N 2 1 245.330 1.157 20 0 BDADMP C[NH+]1CCC2(CN([C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001255492714 970248828 /nfs/dbraw/zinc/24/88/28/970248828.db2.gz LFUJLIQSFWVTGL-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC2(CN([C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001255492714 970248836 /nfs/dbraw/zinc/24/88/36/970248836.db2.gz LFUJLIQSFWVTGL-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170106169 970304563 /nfs/dbraw/zinc/30/45/63/970304563.db2.gz VTHDQPNPPTUVDY-OUAUKWLOSA-N 2 1 228.336 1.045 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001170147741 970442852 /nfs/dbraw/zinc/44/28/52/970442852.db2.gz FFXNSMWFIRYZNB-RVMXOQNASA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001170147741 970442853 /nfs/dbraw/zinc/44/28/53/970442853.db2.gz FFXNSMWFIRYZNB-RVMXOQNASA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001170147741 970442855 /nfs/dbraw/zinc/44/28/55/970442855.db2.gz FFXNSMWFIRYZNB-RVMXOQNASA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001255674054 970450542 /nfs/dbraw/zinc/45/05/42/970450542.db2.gz JYZJSHBVXYCZBV-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001255674054 970450550 /nfs/dbraw/zinc/45/05/50/970450550.db2.gz JYZJSHBVXYCZBV-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001255674054 970450555 /nfs/dbraw/zinc/45/05/55/970450555.db2.gz JYZJSHBVXYCZBV-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001255674054 970450556 /nfs/dbraw/zinc/45/05/56/970450556.db2.gz JYZJSHBVXYCZBV-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001255774575 970478071 /nfs/dbraw/zinc/47/80/71/970478071.db2.gz IFSPAJGQXDIGHY-OCCSQVGLSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001255774575 970478073 /nfs/dbraw/zinc/47/80/73/970478073.db2.gz IFSPAJGQXDIGHY-OCCSQVGLSA-N 2 1 218.344 1.959 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC001170169681 970544355 /nfs/dbraw/zinc/54/43/55/970544355.db2.gz OZEKCYFLCXXNNV-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400468701 970593367 /nfs/dbraw/zinc/59/33/67/970593367.db2.gz XAIICRCUICEIGE-DYEKYZERSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400468701 970593372 /nfs/dbraw/zinc/59/33/72/970593372.db2.gz XAIICRCUICEIGE-DYEKYZERSA-N 3 1 239.407 1.447 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCC(=O)OC ZINC001255971363 970607915 /nfs/dbraw/zinc/60/79/15/970607915.db2.gz JJOXMHATMMSDHG-LBPRGKRZSA-N 2 1 244.379 1.602 20 0 BDADMP F[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256068151 970637058 /nfs/dbraw/zinc/63/70/58/970637058.db2.gz YKGIEWGZVFWRBF-JGZJWPJOSA-N 2 1 212.312 1.703 20 0 BDADMP C1CC1[NH+]1CCC([NH+]2CC(C3COC3)C2)CC1 ZINC001256072335 970639870 /nfs/dbraw/zinc/63/98/70/970639870.db2.gz BUPREJUZKHHUIQ-UHFFFAOYSA-N 2 1 236.359 1.191 20 0 BDADMP COc1cc2[nH+]ccn2cc1NCC1C[NH+](C)C1 ZINC001170256368 970643145 /nfs/dbraw/zinc/64/31/45/970643145.db2.gz IMQBDTIGSPIMRG-UHFFFAOYSA-N 2 1 246.314 1.316 20 0 BDADMP C1CC1[NH+]1CCC(N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001256077125 970650170 /nfs/dbraw/zinc/65/01/70/970650170.db2.gz MMEKDJQPEHKTTE-HNNXBMFYSA-N 2 1 249.402 1.393 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@@H]1O ZINC001256203212 970704197 /nfs/dbraw/zinc/70/41/97/970704197.db2.gz TVEAKOPDXGHCPP-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@@H]1O ZINC001256203212 970704210 /nfs/dbraw/zinc/70/42/10/970704210.db2.gz TVEAKOPDXGHCPP-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP COCC[C@@H]1CCCC[N@H+]1C1CCN(C)CC1 ZINC001256207621 970711178 /nfs/dbraw/zinc/71/11/78/970711178.db2.gz OPGZFMGFKQSMBZ-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CN1CCC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001256207753 970711960 /nfs/dbraw/zinc/71/19/60/970711960.db2.gz SMJDPPIIWJMKIX-NSHDSACASA-N 2 1 230.302 1.812 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001256207753 970711965 /nfs/dbraw/zinc/71/19/65/970711965.db2.gz SMJDPPIIWJMKIX-NSHDSACASA-N 2 1 230.302 1.812 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001256207753 970711976 /nfs/dbraw/zinc/71/19/76/970711976.db2.gz SMJDPPIIWJMKIX-NSHDSACASA-N 2 1 230.302 1.812 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccoc1 ZINC000401746284 970719314 /nfs/dbraw/zinc/71/93/14/970719314.db2.gz VIPIGPXKLNSYFV-UHFFFAOYSA-N 2 1 205.261 1.345 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[NH+](C)C ZINC000401836098 970736833 /nfs/dbraw/zinc/73/68/33/970736833.db2.gz DZVYPPUPGUJOAM-CMPLNLGQSA-N 2 1 236.363 1.574 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545291 972629102 /nfs/dbraw/zinc/62/91/02/972629102.db2.gz ASNPHBOTKZCUNO-YNEHKIRRSA-N 3 1 243.370 1.280 20 0 BDADMP C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC001246547361 972669820 /nfs/dbraw/zinc/66/98/20/972669820.db2.gz CSWRJCXTBNEPDD-CSHRUCKSSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC001246547361 972669835 /nfs/dbraw/zinc/66/98/35/972669835.db2.gz CSWRJCXTBNEPDD-CSHRUCKSSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC001246556064 972761638 /nfs/dbraw/zinc/76/16/38/972761638.db2.gz AGGQHESNGSTINA-YPMHNXCESA-N 2 1 246.354 1.891 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC001246556064 972761652 /nfs/dbraw/zinc/76/16/52/972761652.db2.gz AGGQHESNGSTINA-YPMHNXCESA-N 2 1 246.354 1.891 20 0 BDADMP [NH3+]C[C@H]1C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557500 972772233 /nfs/dbraw/zinc/77/22/33/972772233.db2.gz LWWWNLNSTRUFKB-ZRUFSTJUSA-N 2 1 230.302 1.701 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246558380 972778197 /nfs/dbraw/zinc/77/81/97/972778197.db2.gz LFDVAULTUBDDND-UMSGYPCISA-N 2 1 240.391 1.595 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](F)CC2)CC[NH2+]1 ZINC001246558998 972782584 /nfs/dbraw/zinc/78/25/84/972782584.db2.gz NOLDZASYWKXFNV-WOPDTQHZSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2)CCC[C@H]1C[NH3+] ZINC001246569692 972822818 /nfs/dbraw/zinc/82/28/18/972822818.db2.gz RXMVFMXUZAWVDG-HZSPNIEDSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246574094 972866450 /nfs/dbraw/zinc/86/64/50/972866450.db2.gz JWIZBNGPAPHKST-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246574094 972866456 /nfs/dbraw/zinc/86/64/56/972866456.db2.gz JWIZBNGPAPHKST-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCSC2)CC1 ZINC001246577897 972895425 /nfs/dbraw/zinc/89/54/25/972895425.db2.gz QQTDZFMIVKABQH-VXGBXAGGSA-N 2 1 228.405 1.943 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001246587349 972980200 /nfs/dbraw/zinc/98/02/00/972980200.db2.gz NZZHXYRLOVRLPJ-TUUUFIMRSA-N 2 1 243.370 1.278 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246587349 972980216 /nfs/dbraw/zinc/98/02/16/972980216.db2.gz NZZHXYRLOVRLPJ-TUUUFIMRSA-N 3 1 243.370 1.278 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246587349 972980234 /nfs/dbraw/zinc/98/02/34/972980234.db2.gz NZZHXYRLOVRLPJ-TUUUFIMRSA-N 3 1 243.370 1.278 20 0 BDADMP CO[C@H]1CCC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637732 973056240 /nfs/dbraw/zinc/05/62/40/973056240.db2.gz JAMYRKQKNUTUBY-YVECIDJPSA-N 2 1 224.348 1.380 20 0 BDADMP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@@H]3CCC[C@@H](C3)C1)CCN2 ZINC001246833671 973133392 /nfs/dbraw/zinc/13/33/92/973133392.db2.gz PKHVNOFIWYOMPX-HZSPNIEDSA-N 2 1 249.402 1.202 20 0 BDADMP CC(C)n1ccc2c1nc[nH+]c2NC/C=C/C[NH3+] ZINC001160982429 973207940 /nfs/dbraw/zinc/20/79/40/973207940.db2.gz CFNKTLQHEUFGNK-ONEGZZNKSA-N 2 1 245.330 1.939 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@@H]3C[C@]3([NH3+])C1)C2 ZINC001246867273 973236855 /nfs/dbraw/zinc/23/68/55/973236855.db2.gz HRLPYVQSAPWOKP-QNSTZXKLSA-N 2 1 235.375 1.035 20 0 BDADMP C[N@H+]1CC[C@H](OCC2CC[NH+](C)CC2)C1 ZINC001224449912 973654227 /nfs/dbraw/zinc/65/42/27/973654227.db2.gz KNGKRUHYIAVZOE-LBPRGKRZSA-N 2 1 212.337 1.049 20 0 BDADMP Cc1cccc(N2CCC3(C[NH+](C)C3)CC2)[nH+]1 ZINC001276981200 973776923 /nfs/dbraw/zinc/77/69/23/973776923.db2.gz SIWZXSFKWMMECB-UHFFFAOYSA-N 2 1 231.343 1.922 20 0 BDADMP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246996101 973784416 /nfs/dbraw/zinc/78/44/16/973784416.db2.gz QQFJMVGSLABXJS-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246996101 973784425 /nfs/dbraw/zinc/78/44/25/973784425.db2.gz QQFJMVGSLABXJS-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[N@@H+]1CCCC[C@@H]1CO[C@H]1CCc2[nH+]ccn2C1 ZINC001224707726 973878309 /nfs/dbraw/zinc/87/83/09/973878309.db2.gz SLJFLFWEPNLJJT-OLZOCXBDSA-N 2 1 249.358 1.699 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CO[C@H]1CCc2[nH+]ccn2C1 ZINC001224707726 973878315 /nfs/dbraw/zinc/87/83/15/973878315.db2.gz SLJFLFWEPNLJJT-OLZOCXBDSA-N 2 1 249.358 1.699 20 0 BDADMP Cc1ccncc1-c1noc([C@H]([NH3+])CCC[NH3+])n1 ZINC001247510240 973971728 /nfs/dbraw/zinc/97/17/28/973971728.db2.gz YQTLIDUOTUUEKN-SNVBAGLBSA-N 2 1 247.302 1.179 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171784117 974169478 /nfs/dbraw/zinc/16/94/78/974169478.db2.gz XAZUNZGMRPQENI-CMPLNLGQSA-N 2 1 236.334 1.820 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1Cc2cccc(F)c2C1 ZINC001171784119 974170275 /nfs/dbraw/zinc/17/02/75/974170275.db2.gz XAZUNZGMRPQENI-PWSUYJOCSA-N 2 1 236.334 1.820 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC(F)(F)F)CC[C@H]1F ZINC001206153965 974315866 /nfs/dbraw/zinc/31/58/66/974315866.db2.gz FSUKCPLJVDOGAV-SFYZADRCSA-N 2 1 228.233 1.700 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC(F)(F)F)CC[C@H]1F ZINC001206153965 974315870 /nfs/dbraw/zinc/31/58/70/974315870.db2.gz FSUKCPLJVDOGAV-SFYZADRCSA-N 2 1 228.233 1.700 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001206156413 974336112 /nfs/dbraw/zinc/33/61/12/974336112.db2.gz QOJBXOQDGKMBQV-YNEHKIRRSA-N 2 1 243.370 1.089 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCCC2)CC[C@H]1F ZINC001206156022 974340746 /nfs/dbraw/zinc/34/07/46/974340746.db2.gz OHMDUISHXXKTER-VXGBXAGGSA-N 2 1 214.328 1.938 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCCC2)CC[C@H]1F ZINC001206156022 974340754 /nfs/dbraw/zinc/34/07/54/974340754.db2.gz OHMDUISHXXKTER-VXGBXAGGSA-N 2 1 214.328 1.938 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1C[NH3+])C2 ZINC001172100436 974344156 /nfs/dbraw/zinc/34/41/56/974344156.db2.gz QNSOTPVUECKHKF-GDNZZTSVSA-N 2 1 234.347 1.530 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCO[C@H]3C[C@H]31)C2 ZINC001172130530 974355630 /nfs/dbraw/zinc/35/56/30/974355630.db2.gz PSDBSUZRJIBNEF-HTOAHKCRSA-N 2 1 236.359 1.475 20 0 BDADMP COC(=O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107503 974366828 /nfs/dbraw/zinc/36/68/28/974366828.db2.gz YXAVWSQJRCZVFE-CNDDSTCGSA-N 2 1 240.347 1.154 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncnc1)C2 ZINC001172108061 974367839 /nfs/dbraw/zinc/36/78/39/974367839.db2.gz OSFTVZXEVQMFCN-BTTYYORXSA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncnc1)C2 ZINC001172108061 974367844 /nfs/dbraw/zinc/36/78/44/974367844.db2.gz OSFTVZXEVQMFCN-BTTYYORXSA-N 2 1 246.358 1.582 20 0 BDADMP COC(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)OC ZINC001172106246 974369641 /nfs/dbraw/zinc/36/96/41/974369641.db2.gz OBONQEUZCLWXCO-ZSBIGDGJSA-N 2 1 242.363 1.210 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](O)C1)C2 ZINC001172113181 974383825 /nfs/dbraw/zinc/38/38/25/974383825.db2.gz HHTFROZEAPGJOV-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](O)C1)C2 ZINC001172113181 974383833 /nfs/dbraw/zinc/38/38/33/974383833.db2.gz HHTFROZEAPGJOV-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](O)C1)C2 ZINC001172113181 974383841 /nfs/dbraw/zinc/38/38/41/974383841.db2.gz HHTFROZEAPGJOV-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](O)C1)C2 ZINC001172113181 974383851 /nfs/dbraw/zinc/38/38/51/974383851.db2.gz HHTFROZEAPGJOV-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+](C)C1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172113625 974386134 /nfs/dbraw/zinc/38/61/34/974386134.db2.gz LCMCLIWNBPCRAI-CLLJXQQHSA-N 2 1 237.391 1.248 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@](C)(O)C1)C2 ZINC001172122110 974387889 /nfs/dbraw/zinc/38/78/89/974387889.db2.gz XEPMPRQGVLZRBV-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@](C)(O)C1)C2 ZINC001172122110 974387903 /nfs/dbraw/zinc/38/79/03/974387903.db2.gz XEPMPRQGVLZRBV-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@](C)(O)C1)C2 ZINC001172122110 974387916 /nfs/dbraw/zinc/38/79/16/974387916.db2.gz XEPMPRQGVLZRBV-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@](C)(O)C1)C2 ZINC001172122110 974387925 /nfs/dbraw/zinc/38/79/25/974387925.db2.gz XEPMPRQGVLZRBV-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001172122195 974392366 /nfs/dbraw/zinc/39/23/66/974392366.db2.gz XJXRXWSSWDPASL-QNSTZXKLSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001172122195 974392370 /nfs/dbraw/zinc/39/23/70/974392370.db2.gz XJXRXWSSWDPASL-QNSTZXKLSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1O ZINC001172122195 974392376 /nfs/dbraw/zinc/39/23/76/974392376.db2.gz XJXRXWSSWDPASL-QNSTZXKLSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1O ZINC001172122195 974392381 /nfs/dbraw/zinc/39/23/81/974392381.db2.gz XJXRXWSSWDPASL-QNSTZXKLSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231800 974473690 /nfs/dbraw/zinc/47/36/90/974473690.db2.gz ZBRVGMOZOBOTPV-PBNFFQIGSA-N 2 1 236.359 1.546 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172233390 974477175 /nfs/dbraw/zinc/47/71/75/974477175.db2.gz XATKDIHFZANEMA-RLAWYHOSSA-N 2 1 236.359 1.546 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235476 974496195 /nfs/dbraw/zinc/49/61/95/974496195.db2.gz BCDBSHGDEXYZMC-JWURUJNWSA-N 2 1 236.359 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235476 974496198 /nfs/dbraw/zinc/49/61/98/974496198.db2.gz BCDBSHGDEXYZMC-JWURUJNWSA-N 2 1 236.359 1.402 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)[nH]1 ZINC001206163882 974513390 /nfs/dbraw/zinc/51/33/90/974513390.db2.gz HBCHXEUUOMYQEE-RYUDHWBXSA-N 2 1 239.338 1.893 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172294560 974567143 /nfs/dbraw/zinc/56/71/43/974567143.db2.gz MXQQOZUIEVDWNN-FRRDWIJNSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172294560 974567147 /nfs/dbraw/zinc/56/71/47/974567147.db2.gz MXQQOZUIEVDWNN-FRRDWIJNSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172294560 974567153 /nfs/dbraw/zinc/56/71/53/974567153.db2.gz MXQQOZUIEVDWNN-FRRDWIJNSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)CC1(C)C ZINC001331277001 974668191 /nfs/dbraw/zinc/66/81/91/974668191.db2.gz DOFGFCYHAXSCPN-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)CC1(C)C ZINC001331277001 974668194 /nfs/dbraw/zinc/66/81/94/974668194.db2.gz DOFGFCYHAXSCPN-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172412306 974678023 /nfs/dbraw/zinc/67/80/23/974678023.db2.gz SZSQMNMVIOHIAU-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCC[C@H]1CN ZINC001172412306 974678016 /nfs/dbraw/zinc/67/80/16/974678016.db2.gz SZSQMNMVIOHIAU-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001172439163 974794569 /nfs/dbraw/zinc/79/45/69/974794569.db2.gz ZMBAGNLBANDZAK-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001172439163 974794577 /nfs/dbraw/zinc/79/45/77/974794577.db2.gz ZMBAGNLBANDZAK-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001172439166 974796384 /nfs/dbraw/zinc/79/63/84/974796384.db2.gz ZMBAGNLBANDZAK-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001172439166 974796391 /nfs/dbraw/zinc/79/63/91/974796391.db2.gz ZMBAGNLBANDZAK-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP C[NH2+][C@H](C)CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001331835605 974832133 /nfs/dbraw/zinc/83/21/33/974832133.db2.gz RKVOUMWKYRZVJJ-UTUOFQBUSA-N 2 1 225.380 1.199 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206167042 974885273 /nfs/dbraw/zinc/88/52/73/974885273.db2.gz WGPQJIXMRGWHRQ-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206167042 974885279 /nfs/dbraw/zinc/88/52/79/974885279.db2.gz WGPQJIXMRGWHRQ-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP C[C@@H]([NH3+])CCNc1ccc2[nH]c[nH+]c2c1 ZINC000258679878 974905629 /nfs/dbraw/zinc/90/56/29/974905629.db2.gz DRXZSIPLUGJXMD-MRVPVSSYSA-N 2 1 204.277 1.712 20 0 BDADMP CC(C)([NH3+])Cc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001332321169 975053929 /nfs/dbraw/zinc/05/39/29/975053929.db2.gz YRNBWFBRJVTWLH-NSHDSACASA-N 2 1 246.314 1.398 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ccnc2[C@H](C)[NH3+])C1 ZINC001173347978 975288192 /nfs/dbraw/zinc/28/81/92/975288192.db2.gz KTSHHOSKJYFGIZ-VHSXEESVSA-N 2 1 208.309 1.170 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001173348560 975291112 /nfs/dbraw/zinc/29/11/12/975291112.db2.gz RBSJRUBBYWGPEL-KBPBESRZSA-N 2 1 245.370 1.471 20 0 BDADMP CCC[NH+](CCC)CCN[C@@H]1CC[N@@H+](CC)C1 ZINC001173350072 975296459 /nfs/dbraw/zinc/29/64/59/975296459.db2.gz NKPNOYRXPRVCLB-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ccc([C@H](C)[NH3+])n2)C1 ZINC001173350663 975297867 /nfs/dbraw/zinc/29/78/67/975297867.db2.gz OJBOLRFFKOORBP-VHSXEESVSA-N 2 1 208.309 1.170 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2ccc(OC)c(C[NH3+])c2)C1 ZINC001173356527 975313566 /nfs/dbraw/zinc/31/35/66/975313566.db2.gz FETRVZDCYKSWOA-ZDUSSCGKSA-N 2 1 249.358 1.660 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001173360200 975324153 /nfs/dbraw/zinc/32/41/53/975324153.db2.gz YJKBPRYRMFKHSL-LBPRGKRZSA-N 2 1 237.322 1.791 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@@H]([NH+](C)C3CC3)C2)C1 ZINC001173366509 975338710 /nfs/dbraw/zinc/33/87/10/975338710.db2.gz ACFOSALAVRMZKB-KGLIPLIRSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@@H]([N@H+](C)C3CC3)C2)C1 ZINC001173366509 975338718 /nfs/dbraw/zinc/33/87/18/975338718.db2.gz ACFOSALAVRMZKB-KGLIPLIRSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@@H]([N@@H+](C)C3CC3)C2)C1 ZINC001173366509 975338724 /nfs/dbraw/zinc/33/87/24/975338724.db2.gz ACFOSALAVRMZKB-KGLIPLIRSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC001173364982 975343975 /nfs/dbraw/zinc/34/39/75/975343975.db2.gz WEFDWJFGKIMQBV-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC001173364982 975343981 /nfs/dbraw/zinc/34/39/81/975343981.db2.gz WEFDWJFGKIMQBV-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+]2CCCC2)C1 ZINC001173370200 975355993 /nfs/dbraw/zinc/35/59/93/975355993.db2.gz FLTAPTCXWHCGII-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C[N@@H+](CCNc1cc(N)[nH+]cc1Cl)C1CC1 ZINC001333640894 975916679 /nfs/dbraw/zinc/91/66/79/975916679.db2.gz LIOYTRVZQKDGKK-UHFFFAOYSA-N 2 1 240.738 1.823 20 0 BDADMP NC[C@H]1Cc2ccccc2C[N@@H+]1C1CCOCC1 ZINC000721619646 977569986 /nfs/dbraw/zinc/56/99/86/977569986.db2.gz ZPYVVGMFRBSGMY-OAHLLOKOSA-N 2 1 246.354 1.551 20 0 BDADMP CC[NH+](CC)[C@H](C)CNc1cc[nH+]c(N)n1 ZINC001336608615 977809248 /nfs/dbraw/zinc/80/92/48/977809248.db2.gz HHOYTUVMJAJFNG-SECBINFHSA-N 2 1 223.324 1.201 20 0 BDADMP C[C@]1(O)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011493 977841338 /nfs/dbraw/zinc/84/13/38/977841338.db2.gz DNNBGJCVWDOJCB-ZDUSSCGKSA-N 2 1 231.299 1.520 20 0 BDADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CCOC1 ZINC001232013950 977841431 /nfs/dbraw/zinc/84/14/31/977841431.db2.gz IFPCWHPQQPBAQU-LBPRGKRZSA-N 2 1 231.299 1.784 20 0 BDADMP CNC(=O)CC[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014878 977844325 /nfs/dbraw/zinc/84/43/25/977844325.db2.gz WBOYVPCPOULTIR-UHFFFAOYSA-N 2 1 246.314 1.131 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015688 977845457 /nfs/dbraw/zinc/84/54/57/977845457.db2.gz LAGQHWBXERBZLP-GWCFXTLKSA-N 2 1 245.326 1.908 20 0 BDADMP Cc1cc[nH+]c(N2CCCC3(C[NH+](C)C3)C2)c1 ZINC001277680338 978178337 /nfs/dbraw/zinc/17/83/37/978178337.db2.gz MKILXYFITSVQKK-UHFFFAOYSA-N 2 1 231.343 1.922 20 0 BDADMP C[NH+](C)CCO[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001206288122 978256842 /nfs/dbraw/zinc/25/68/42/978256842.db2.gz VWZNDFQGXIAXCV-CLLJXQQHSA-N 2 1 226.364 1.295 20 0 BDADMP CC[N@H+]1CC[C@H](NCC(C)(C)C[NH+](C)C)C1 ZINC000328315357 978271660 /nfs/dbraw/zinc/27/16/60/978271660.db2.gz CKKCOTJLQFWWLQ-LBPRGKRZSA-N 2 1 227.396 1.258 20 0 BDADMP CCN1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000328315357 978271669 /nfs/dbraw/zinc/27/16/69/978271669.db2.gz CKKCOTJLQFWWLQ-LBPRGKRZSA-N 2 1 227.396 1.258 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000328331392 978289706 /nfs/dbraw/zinc/28/97/06/978289706.db2.gz HQGJAJUYYXNUCC-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000328331392 978289717 /nfs/dbraw/zinc/28/97/17/978289717.db2.gz HQGJAJUYYXNUCC-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001206295672 978299297 /nfs/dbraw/zinc/29/92/97/978299297.db2.gz MWERIPATCLYAHB-IYXRBSQSSA-N 3 1 237.391 1.319 20 0 BDADMP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc[nH+]cc1 ZINC001337726651 978475239 /nfs/dbraw/zinc/47/52/39/978475239.db2.gz QLNZHSGLTJRISW-NEPJUHHUSA-N 2 1 235.331 1.025 20 0 BDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc[nH+]cc1 ZINC001337726651 978475241 /nfs/dbraw/zinc/47/52/41/978475241.db2.gz QLNZHSGLTJRISW-NEPJUHHUSA-N 2 1 235.331 1.025 20 0 BDADMP NC[C@]1(F)CCCC[N@@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206336710 978600785 /nfs/dbraw/zinc/60/07/85/978600785.db2.gz NMWJJCOKIBKQBL-OTTFEQOBSA-N 2 1 241.354 1.021 20 0 BDADMP [NH3+]C[C@]1(F)CCCCN(CC23CC([NH3+])(C2)C3)C1 ZINC001206336710 978600788 /nfs/dbraw/zinc/60/07/88/978600788.db2.gz NMWJJCOKIBKQBL-OTTFEQOBSA-N 2 1 241.354 1.021 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc[nH+]1 ZINC001338162084 978620745 /nfs/dbraw/zinc/62/07/45/978620745.db2.gz GXULUHDNJKEGIZ-KWCYVHTRSA-N 2 1 231.343 1.564 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc[nH+]1 ZINC001338162080 978622177 /nfs/dbraw/zinc/62/21/77/978622177.db2.gz GXULUHDNJKEGIZ-FPMFFAJLSA-N 2 1 231.343 1.564 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c(CO)c3)[C@H]2C1 ZINC001338296288 978656273 /nfs/dbraw/zinc/65/62/73/978656273.db2.gz HNFMDFSAESNLBX-BPNCWPANSA-N 2 1 247.342 1.326 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](NCc3cnsc3)[C@H]2C1 ZINC001179814919 978758175 /nfs/dbraw/zinc/75/81/75/978758175.db2.gz BRJOJEDZOOBIHZ-SRVKXCTJSA-N 2 1 237.372 1.573 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnsc3)[C@H]2C1 ZINC001179814919 978758180 /nfs/dbraw/zinc/75/81/80/978758180.db2.gz BRJOJEDZOOBIHZ-SRVKXCTJSA-N 2 1 237.372 1.573 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnsc3)[C@H]2C1 ZINC001179814919 978758185 /nfs/dbraw/zinc/75/81/85/978758185.db2.gz BRJOJEDZOOBIHZ-SRVKXCTJSA-N 2 1 237.372 1.573 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001179816630 978761207 /nfs/dbraw/zinc/76/12/07/978761207.db2.gz MNGPELRFFQKYIM-BPLDGKMQSA-N 2 1 245.370 1.820 20 0 BDADMP CCCc1[nH+]ccn1C[C@H]1CCC[NH2+]C1 ZINC000069964157 978799963 /nfs/dbraw/zinc/79/99/63/978799963.db2.gz SCKFMDPLOJGXJH-NSHDSACASA-N 2 1 207.321 1.835 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccccn3)[C@H]2C1 ZINC001339999997 978954669 /nfs/dbraw/zinc/95/46/69/978954669.db2.gz QZQDOGVFCHIOST-SDDRHHMPSA-N 2 1 217.316 1.834 20 0 BDADMP CC1(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)COC1 ZINC001235127574 978981081 /nfs/dbraw/zinc/98/10/81/978981081.db2.gz ZLAGVTFXRPKXEB-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP CC1(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)COC1 ZINC001235127574 978981088 /nfs/dbraw/zinc/98/10/88/978981088.db2.gz ZLAGVTFXRPKXEB-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152820 978983200 /nfs/dbraw/zinc/98/32/00/978983200.db2.gz PLJJZROHFYBROG-CQSZACIVSA-N 3 1 239.407 1.579 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)CC(C)(C)C[NH3+] ZINC001340202047 978988094 /nfs/dbraw/zinc/98/80/94/978988094.db2.gz SDUIQQLLNABZSE-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001235187464 978994240 /nfs/dbraw/zinc/99/42/40/978994240.db2.gz ZLNFQXAUKDWUOM-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)O1 ZINC001235223983 979000025 /nfs/dbraw/zinc/00/00/25/979000025.db2.gz JCSPDJDCQPZTJP-AVGNSLFASA-N 2 1 238.375 1.833 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@H]3CCC[C@H]3C2)O1 ZINC001235223983 979000032 /nfs/dbraw/zinc/00/00/32/979000032.db2.gz JCSPDJDCQPZTJP-AVGNSLFASA-N 2 1 238.375 1.833 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234289 979004731 /nfs/dbraw/zinc/00/47/31/979004731.db2.gz XEQOVNRATUCTLA-YPMHNXCESA-N 3 1 225.380 1.188 20 0 BDADMP [NH3+]CCN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001235489856 979051807 /nfs/dbraw/zinc/05/18/07/979051807.db2.gz KWSYVGQNVJWJPR-UHFFFAOYSA-N 2 1 237.391 1.286 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+](CCCC[NH3+])CC[C@H]2O1 ZINC001235483855 979053732 /nfs/dbraw/zinc/05/37/32/979053732.db2.gz STXDQHUHJXPGMC-SDDRHHMPSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1c[nH+]c2n1CCC21CCN(C[C@H](C)[NH3+])CC1 ZINC001235544881 979087477 /nfs/dbraw/zinc/08/74/77/979087477.db2.gz LLGCFWFSKNLHJB-NSHDSACASA-N 2 1 248.374 1.276 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)C[C@@H](O)C2CC2)CC1 ZINC001181507175 979128956 /nfs/dbraw/zinc/12/89/56/979128956.db2.gz ZLEZIXKKKYRFAF-CQSZACIVSA-N 2 1 240.391 1.421 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001235712842 979131107 /nfs/dbraw/zinc/13/11/07/979131107.db2.gz QCKKXVNTRUURFY-AWEZNQCLSA-N 2 1 249.358 1.664 20 0 BDADMP CC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235726668 979136515 /nfs/dbraw/zinc/13/65/15/979136515.db2.gz OMTAECLEYDXENZ-QWRGUYRKSA-N 2 1 212.337 1.585 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235726668 979136517 /nfs/dbraw/zinc/13/65/17/979136517.db2.gz OMTAECLEYDXENZ-QWRGUYRKSA-N 2 1 212.337 1.585 20 0 BDADMP CC[C@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235768298 979142598 /nfs/dbraw/zinc/14/25/98/979142598.db2.gz FNGPUUVEVCPTGR-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC001235768298 979142603 /nfs/dbraw/zinc/14/26/03/979142603.db2.gz FNGPUUVEVCPTGR-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP COC(C)(C)[C@@H]1CCC[N@H+]1CCCC[NH3+] ZINC001235826800 979163192 /nfs/dbraw/zinc/16/31/92/979163192.db2.gz CCVDJXKHUSGZEW-NSHDSACASA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@H]1CC[C@@H](N)C[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235892426 979185058 /nfs/dbraw/zinc/18/50/58/979185058.db2.gz QJNHDAAQBZEBCT-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H](N)C[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235892426 979185068 /nfs/dbraw/zinc/18/50/68/979185068.db2.gz QJNHDAAQBZEBCT-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1CCCC[NH3+] ZINC001235940590 979210953 /nfs/dbraw/zinc/21/09/53/979210953.db2.gz VGAHOBJMZDFZBZ-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP CCc1[nH]c(CN2C[C@H]3CC[C@]3([NH3+])C2)c(C)[nH+]1 ZINC001235976640 979241239 /nfs/dbraw/zinc/24/12/39/979241239.db2.gz BEJGNUOIFWEFBT-MFKMUULPSA-N 2 1 234.347 1.204 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235980526 979250516 /nfs/dbraw/zinc/25/05/16/979250516.db2.gz MZAHEWNWAPOQKY-ZIAGYGMSSA-N 2 1 216.328 1.918 20 0 BDADMP Cc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235980526 979250526 /nfs/dbraw/zinc/25/05/26/979250526.db2.gz MZAHEWNWAPOQKY-ZIAGYGMSSA-N 2 1 216.328 1.918 20 0 BDADMP [NH3+][C@@]12CC[C@H]1CN(Cc1[nH+]cn3ccccc13)C2 ZINC001235990721 979277029 /nfs/dbraw/zinc/27/70/29/979277029.db2.gz NPXBCLZRFYGQAN-SMDDNHRTSA-N 2 1 242.326 1.257 20 0 BDADMP [NH3+][C@]12CC[C@H]1CN(Cc1[nH+]cn3ccccc13)C2 ZINC001235990712 979279708 /nfs/dbraw/zinc/27/97/08/979279708.db2.gz NPXBCLZRFYGQAN-FZMZJTMJSA-N 2 1 242.326 1.257 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@H](C)O1 ZINC001236017524 979308346 /nfs/dbraw/zinc/30/83/46/979308346.db2.gz SISQOPUKAMVAQL-PPCPHDFISA-N 2 1 224.348 1.223 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@H](C)O1 ZINC001236017524 979308362 /nfs/dbraw/zinc/30/83/62/979308362.db2.gz SISQOPUKAMVAQL-PPCPHDFISA-N 2 1 224.348 1.223 20 0 BDADMP COC(=O)C[C@H]1CCC[N@@H+](CCCC[NH3+])C1 ZINC001236043210 979340080 /nfs/dbraw/zinc/34/00/80/979340080.db2.gz VSTGHLMYXAJNKY-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC001236078150 979361906 /nfs/dbraw/zinc/36/19/06/979361906.db2.gz GGIHWRJLAWNBPY-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC001236078150 979361914 /nfs/dbraw/zinc/36/19/14/979361914.db2.gz GGIHWRJLAWNBPY-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C)N1CCC1CC[NH2+]CC1 ZINC001236104498 979392492 /nfs/dbraw/zinc/39/24/92/979392492.db2.gz LDUGRUWJVDMFKU-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CN(Cc1[nH+]cn2ccccc12)C[C@@H]1CCC[NH2+]1 ZINC001236120183 979398830 /nfs/dbraw/zinc/39/88/30/979398830.db2.gz OJQHTKJVJDYQCS-LBPRGKRZSA-N 2 1 244.342 1.518 20 0 BDADMP CCC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001236176841 979433704 /nfs/dbraw/zinc/43/37/04/979433704.db2.gz IMKNDVQTTSUZDZ-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001236176841 979433715 /nfs/dbraw/zinc/43/37/15/979433715.db2.gz IMKNDVQTTSUZDZ-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP Nc1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC001236233163 979457618 /nfs/dbraw/zinc/45/76/18/979457618.db2.gz PJQVIKQSDRFPQQ-LBPRGKRZSA-N 2 1 245.370 1.627 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](CCCCCO)C[C@H]21 ZINC001236229946 979459345 /nfs/dbraw/zinc/45/93/45/979459345.db2.gz VBHASLYMYMJEHI-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+](C1CC1)[C@H]1CCCNC1 ZINC001236237585 979463996 /nfs/dbraw/zinc/46/39/96/979463996.db2.gz SFGQDJSELPMIMV-AWEZNQCLSA-N 2 1 237.391 1.202 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+](C1CC1)[C@H]1CCCNC1 ZINC001236237585 979464021 /nfs/dbraw/zinc/46/40/21/979464021.db2.gz SFGQDJSELPMIMV-AWEZNQCLSA-N 2 1 237.391 1.202 20 0 BDADMP Fc1cncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314422 979523059 /nfs/dbraw/zinc/52/30/59/979523059.db2.gz DPSIEYOMEFJMBC-BETUJISGSA-N 2 1 249.333 1.652 20 0 BDADMP COC(C)(C)CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314526 979523922 /nfs/dbraw/zinc/52/39/22/979523922.db2.gz QFIFGJYTJZUCOA-BETUJISGSA-N 2 1 240.391 1.733 20 0 BDADMP O=c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c[nH]1 ZINC001236315091 979523999 /nfs/dbraw/zinc/52/39/99/979523999.db2.gz JSSBXROOPFONOL-BETUJISGSA-N 2 1 247.342 1.219 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236314523 979525043 /nfs/dbraw/zinc/52/50/43/979525043.db2.gz PTCOQJNXIFVKGV-BETUJISGSA-N 2 1 246.358 1.216 20 0 BDADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)co1 ZINC001236315257 979529605 /nfs/dbraw/zinc/52/96/05/979529605.db2.gz YKNVXQKQTJBIEO-BETUJISGSA-N 2 1 220.316 1.711 20 0 BDADMP O=c1[nH]cccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316275 979529700 /nfs/dbraw/zinc/52/97/00/979529700.db2.gz QRAFSERHOZLFGI-TXEJJXNPSA-N 2 1 247.342 1.219 20 0 BDADMP CN(C)c1cc[nH+]cc1NC(=O)C1([NH+](C)C)CC1 ZINC001182591865 979566310 /nfs/dbraw/zinc/56/63/10/979566310.db2.gz CFBOVMSGIXLBJW-UHFFFAOYSA-N 2 1 248.330 1.180 20 0 BDADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CC[C@@H]1CCOC1 ZINC001341856072 979579208 /nfs/dbraw/zinc/57/92/08/979579208.db2.gz LVWOYPANPQSCAS-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC[C@@H]1CCOC1 ZINC001341856072 979579211 /nfs/dbraw/zinc/57/92/11/979579211.db2.gz LVWOYPANPQSCAS-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC[C@@H]1CCOC1 ZINC001341856072 979579213 /nfs/dbraw/zinc/57/92/13/979579213.db2.gz LVWOYPANPQSCAS-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC[C@@H]1CCOC1 ZINC001341856072 979579230 /nfs/dbraw/zinc/57/92/30/979579230.db2.gz LVWOYPANPQSCAS-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC[C@@H]1CCOC1 ZINC001341856072 979579233 /nfs/dbraw/zinc/57/92/33/979579233.db2.gz LVWOYPANPQSCAS-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001236421630 979590441 /nfs/dbraw/zinc/59/04/41/979590441.db2.gz VYBYFJWMBNWCLK-BXUZGUMPSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2c1CCN2 ZINC001236421630 979590443 /nfs/dbraw/zinc/59/04/43/979590443.db2.gz VYBYFJWMBNWCLK-BXUZGUMPSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001236421632 979592434 /nfs/dbraw/zinc/59/24/34/979592434.db2.gz VYBYFJWMBNWCLK-RISCZKNCSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2c1CCN2 ZINC001236421632 979592440 /nfs/dbraw/zinc/59/24/40/979592440.db2.gz VYBYFJWMBNWCLK-RISCZKNCSA-N 2 1 245.370 1.966 20 0 BDADMP CCc1cccc(C)c1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206535917 979612757 /nfs/dbraw/zinc/61/27/57/979612757.db2.gz UNJOPHZARMHXOU-ZFWWWQNUSA-N 2 1 248.370 1.309 20 0 BDADMP CC(C)C[N@@H+](CCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550451 979635568 /nfs/dbraw/zinc/63/55/68/979635568.db2.gz IPNVPXJLQVRTPV-HAQNSBGRSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@H](N)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567691 979639464 /nfs/dbraw/zinc/63/94/64/979639464.db2.gz ZJSRKLYCHUHKDJ-OBJOEFQTSA-N 2 1 239.407 1.848 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCO)Cc2ccccn2)CC1 ZINC001236672755 979693050 /nfs/dbraw/zinc/69/30/50/979693050.db2.gz ULJQPPPXMVZOSU-MQMHXKEQSA-N 2 1 249.358 1.146 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc[nH]c2)C1 ZINC001206556211 979719689 /nfs/dbraw/zinc/71/96/89/979719689.db2.gz OOVQCCVDIAWPKZ-ZDUSSCGKSA-N 2 1 221.348 1.966 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001205256166 979738693 /nfs/dbraw/zinc/73/86/93/979738693.db2.gz NSOKSFMDTPGQBY-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP CC[C@H]([NH3+])CN(C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236860548 979763405 /nfs/dbraw/zinc/76/34/05/979763405.db2.gz RARCMZPDXMAWPY-DCAQKATOSA-N 2 1 249.349 1.146 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@H+](C)C[C@H](C)[NH3+] ZINC001236885704 979784736 /nfs/dbraw/zinc/78/47/36/979784736.db2.gz PHUWUHPTWZNMCY-JTQLQIEISA-N 2 1 230.352 1.387 20 0 BDADMP CNc1ncccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264724 979811074 /nfs/dbraw/zinc/81/10/74/979811074.db2.gz LAJDKYFHHLQQIT-CQSZACIVSA-N 2 1 248.374 1.827 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+]CCC[NH+](C)C)(C1)CCC2 ZINC001278049187 979815827 /nfs/dbraw/zinc/81/58/27/979815827.db2.gz IHPRYMJVZNYRGZ-UONOGXRCSA-N 3 1 239.407 1.593 20 0 BDADMP COc1cccnc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265780 979817894 /nfs/dbraw/zinc/81/78/94/979817894.db2.gz RGTVWMCLSZTZOU-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cccnc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265780 979817897 /nfs/dbraw/zinc/81/78/97/979817897.db2.gz RGTVWMCLSZTZOU-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)n1C ZINC001237380821 979877085 /nfs/dbraw/zinc/87/70/85/979877085.db2.gz HQFAJHBJPBFXBE-GXTWGEPZSA-N 2 1 248.374 1.302 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374715 979877910 /nfs/dbraw/zinc/87/79/10/979877910.db2.gz IMGACBUIEOJYCA-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374715 979877916 /nfs/dbraw/zinc/87/79/16/979877916.db2.gz IMGACBUIEOJYCA-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP Cn1c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cccc1=O ZINC001205296158 980064216 /nfs/dbraw/zinc/06/42/16/980064216.db2.gz IFGBMMCSIMMPQH-AWEZNQCLSA-N 2 1 249.358 1.089 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(C)nn1C ZINC001345482668 980617526 /nfs/dbraw/zinc/61/75/26/980617526.db2.gz OOOOUEUNHOHANT-ONGXEEELSA-N 2 1 224.352 1.377 20 0 BDADMP Cc1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C)C2)c1 ZINC001346192556 980779310 /nfs/dbraw/zinc/77/93/10/980779310.db2.gz WCOQLLBKGXNOIA-HIFRSBDPSA-N 2 1 248.370 1.570 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000722691768 980908445 /nfs/dbraw/zinc/90/84/45/980908445.db2.gz ITGJVNYEATWJFL-XQHKEYJVSA-N 2 1 208.349 1.716 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)no1 ZINC001205546868 980952638 /nfs/dbraw/zinc/95/26/38/980952638.db2.gz YZEIHIYHARIMSY-GFCCVEGCSA-N 2 1 241.310 1.636 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)[nH]n1 ZINC001347178061 981003985 /nfs/dbraw/zinc/00/39/85/981003985.db2.gz FFIQHEUBWDMDID-LBPRGKRZSA-N 2 1 236.363 1.538 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)[nH]n1 ZINC001347178061 981003992 /nfs/dbraw/zinc/00/39/92/981003992.db2.gz FFIQHEUBWDMDID-LBPRGKRZSA-N 2 1 236.363 1.538 20 0 BDADMP [NH3+][C@@H](c1noc(CC2([NH3+])CC2)n1)c1ccccc1 ZINC001347177918 981004634 /nfs/dbraw/zinc/00/46/34/981004634.db2.gz KOIPJCUXPRSNRZ-LLVKDONJSA-N 2 1 244.298 1.152 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)[C@@H](C)O)C1 ZINC001191391031 981022778 /nfs/dbraw/zinc/02/27/78/981022778.db2.gz UCDCSBCSRFSZNJ-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)O)C1 ZINC001191391031 981022782 /nfs/dbraw/zinc/02/27/82/981022782.db2.gz UCDCSBCSRFSZNJ-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)O)C1 ZINC001191391031 981022790 /nfs/dbraw/zinc/02/27/90/981022790.db2.gz UCDCSBCSRFSZNJ-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccccn2)CC[C@@H]1C[NH3+] ZINC001205601757 981159476 /nfs/dbraw/zinc/15/94/76/981159476.db2.gz GEBQJEKLJJOSOJ-CHWSQXEVSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2)CC[C@H]1C[NH3+] ZINC001205604782 981181744 /nfs/dbraw/zinc/18/17/44/981181744.db2.gz WYHHFJJMHMZYPY-OCCSQVGLSA-N 2 1 233.359 1.888 20 0 BDADMP CC[C@H](N)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205604858 981182179 /nfs/dbraw/zinc/18/21/79/981182179.db2.gz YHLOYQBVWGRLNF-SRVKXCTJSA-N 2 1 213.369 1.031 20 0 BDADMP CC[C@H]([NH3+])CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205604858 981182183 /nfs/dbraw/zinc/18/21/83/981182183.db2.gz YHLOYQBVWGRLNF-SRVKXCTJSA-N 2 1 213.369 1.031 20 0 BDADMP c1cc(C2=CC[NH2+]CC2)c2c([nH+]1)NCC2 ZINC001240470618 981407836 /nfs/dbraw/zinc/40/78/36/981407836.db2.gz RQVQEMHKVQWQLU-UHFFFAOYSA-N 2 1 201.273 1.426 20 0 BDADMP COCC1([N@@H+](C)C[C@H]2CCC[NH2+]C2)CCC1 ZINC001348820831 981451605 /nfs/dbraw/zinc/45/16/05/981451605.db2.gz HOEVTLZOQIQJIE-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](CCc1cn[nH]c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001194268251 981638464 /nfs/dbraw/zinc/63/84/64/981638464.db2.gz GGVVPFLSNMNOGR-PBWFPOADSA-N 2 1 248.374 1.509 20 0 BDADMP C[NH+](CCc1cn[nH]c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001194268251 981638505 /nfs/dbraw/zinc/63/85/05/981638505.db2.gz GGVVPFLSNMNOGR-PBWFPOADSA-N 2 1 248.374 1.509 20 0 BDADMP C[NH+](CCc1cn[nH]c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001194268251 981638519 /nfs/dbraw/zinc/63/85/19/981638519.db2.gz GGVVPFLSNMNOGR-PBWFPOADSA-N 2 1 248.374 1.509 20 0 BDADMP O[C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC001580884641 981700499 /nfs/dbraw/zinc/70/04/99/981700499.db2.gz KKLHUCFFVAFJRT-RFQIPJPRSA-N 2 1 238.375 1.079 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccs2)C1 ZINC001205664154 981817617 /nfs/dbraw/zinc/81/76/17/981817617.db2.gz MQSFFSITDKGVKK-GFCCVEGCSA-N 2 1 240.372 1.424 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccnc(F)c1 ZINC001351315919 982287204 /nfs/dbraw/zinc/28/72/04/982287204.db2.gz WEVXUKFOOYKCTK-UHFFFAOYSA-N 2 1 239.338 1.898 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802562 982536565 /nfs/dbraw/zinc/53/65/65/982536565.db2.gz BZPKBGXNRONPKF-JQWIXIFHSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802562 982536567 /nfs/dbraw/zinc/53/65/67/982536567.db2.gz BZPKBGXNRONPKF-JQWIXIFHSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802562 982536571 /nfs/dbraw/zinc/53/65/71/982536571.db2.gz BZPKBGXNRONPKF-JQWIXIFHSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802562 982536575 /nfs/dbraw/zinc/53/65/75/982536575.db2.gz BZPKBGXNRONPKF-JQWIXIFHSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](CCCC2OCCO2)C1 ZINC001205804301 982561489 /nfs/dbraw/zinc/56/14/89/982561489.db2.gz MPGKFGLFUWVZCC-NWDGAFQWSA-N 2 1 242.363 1.199 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](CCCC2OCCO2)C1 ZINC001205804301 982561493 /nfs/dbraw/zinc/56/14/93/982561493.db2.gz MPGKFGLFUWVZCC-NWDGAFQWSA-N 2 1 242.363 1.199 20 0 BDADMP c1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)cc[nH+]1 ZINC001354040095 983123278 /nfs/dbraw/zinc/12/32/78/983123278.db2.gz HDOCHMJMWOGGFM-CQSZACIVSA-N 2 1 247.342 1.169 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205905225 983130830 /nfs/dbraw/zinc/13/08/30/983130830.db2.gz ZJNWWDAJWTXZHG-OCCSQVGLSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc[nH+]1 ZINC001354129431 983170213 /nfs/dbraw/zinc/17/02/13/983170213.db2.gz GQSMWNVHINMYSS-QMTHXVAHSA-N 2 1 231.343 1.707 20 0 BDADMP Cc1cc(N)[nH+]cc1-c1ccnc(C[NH3+])c1 ZINC001242089157 983334018 /nfs/dbraw/zinc/33/40/18/983334018.db2.gz ALRHVKVXURULBP-UHFFFAOYSA-N 2 1 214.272 1.493 20 0 BDADMP Cc1cc(N)[nH+]cc1-c1cnc2c(c1)C[NH2+]CC2 ZINC001242089229 983334084 /nfs/dbraw/zinc/33/40/84/983334084.db2.gz BUGDMKWGJKFAAR-UHFFFAOYSA-N 2 1 240.310 1.680 20 0 BDADMP Nc1cccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205938058 983569729 /nfs/dbraw/zinc/56/97/29/983569729.db2.gz FEQDUSIPAFKYCH-CYBMUJFWSA-N 2 1 219.332 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205938058 983569740 /nfs/dbraw/zinc/56/97/40/983569740.db2.gz FEQDUSIPAFKYCH-CYBMUJFWSA-N 2 1 219.332 1.582 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C1CC1 ZINC001356082649 983570029 /nfs/dbraw/zinc/57/00/29/983570029.db2.gz ARNHENCUMXXDBM-YPMHNXCESA-N 2 1 248.374 1.825 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](CC1CCCC1)CC2 ZINC001202178506 983589503 /nfs/dbraw/zinc/58/95/03/983589503.db2.gz SQEOCOMTZLPNHV-UHFFFAOYSA-N 2 1 219.332 1.931 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](CC1CCCC1)CC2 ZINC001202178506 983589520 /nfs/dbraw/zinc/58/95/20/983589520.db2.gz SQEOCOMTZLPNHV-UHFFFAOYSA-N 2 1 219.332 1.931 20 0 BDADMP CCCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252106777 983652367 /nfs/dbraw/zinc/65/23/67/983652367.db2.gz BDHTXRHBWHAVGO-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP C(C[N@H+]1CCCC[C@@]12CCOC2)C1C[NH2+]C1 ZINC001574800620 984118909 /nfs/dbraw/zinc/11/89/09/984118909.db2.gz JRLUELDVWSVDIV-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H](CC1CC1)[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001575934063 984136449 /nfs/dbraw/zinc/13/64/49/984136449.db2.gz MKWBNEPPHJGWNH-JQWIXIFHSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001576690637 984181547 /nfs/dbraw/zinc/18/15/47/984181547.db2.gz LHKBIRDVGMOCKY-HZSPNIEDSA-N 2 1 240.391 1.781 20 0 BDADMP CCCC[C@@](C)(CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001577388096 984195078 /nfs/dbraw/zinc/19/50/78/984195078.db2.gz HJWBENAUQRQFGD-CPCZMJQVSA-N 2 1 226.364 1.269 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3CC[NH2+]C34CCC4)[C@H]2C1 ZINC001578521180 984214511 /nfs/dbraw/zinc/21/45/11/984214511.db2.gz MMFKELDYNLNYHE-XDQVBPFNSA-N 2 1 249.402 1.201 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)COC2)CCC[C@@H]1C[NH3+] ZINC001205984322 984216774 /nfs/dbraw/zinc/21/67/74/984216774.db2.gz RURHCQDZDMGJAM-NWDGAFQWSA-N 2 1 226.364 1.330 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2O)c1C ZINC001579760131 984304690 /nfs/dbraw/zinc/30/46/90/984304690.db2.gz AALNJWCBQGMCRJ-ZIAGYGMSSA-N 2 1 234.343 1.116 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001205985432 984319561 /nfs/dbraw/zinc/31/95/61/984319561.db2.gz YEZHZVVEQBTESC-GXTWGEPZSA-N 3 1 239.407 1.293 20 0 BDADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718172545 984397110 /nfs/dbraw/zinc/39/71/10/984397110.db2.gz DGGYZRQYNWUJOG-QLFBSQMISA-N 2 1 246.354 1.135 20 0 BDADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718172545 984397117 /nfs/dbraw/zinc/39/71/17/984397117.db2.gz DGGYZRQYNWUJOG-QLFBSQMISA-N 2 1 246.354 1.135 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[NH2+]1 ZINC000718224010 984412939 /nfs/dbraw/zinc/41/29/39/984412939.db2.gz DIUKZJHPDOYRLD-QTJJRWQNSA-N 2 1 236.359 1.236 20 0 BDADMP COCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001274980138 984432418 /nfs/dbraw/zinc/43/24/18/984432418.db2.gz FEXVTLOTXBMHQQ-UHFFFAOYSA-N 2 1 212.337 1.051 20 0 BDADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275045587 984445245 /nfs/dbraw/zinc/44/52/45/984445245.db2.gz PTNDREJIPRZEMA-AWEZNQCLSA-N 2 1 233.359 1.932 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275045587 984445252 /nfs/dbraw/zinc/44/52/52/984445252.db2.gz PTNDREJIPRZEMA-AWEZNQCLSA-N 2 1 233.359 1.932 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275045587 984445265 /nfs/dbraw/zinc/44/52/65/984445265.db2.gz PTNDREJIPRZEMA-AWEZNQCLSA-N 2 1 233.359 1.932 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275045587 984445268 /nfs/dbraw/zinc/44/52/68/984445268.db2.gz PTNDREJIPRZEMA-AWEZNQCLSA-N 2 1 233.359 1.932 20 0 BDADMP CC[N@@H+](CCc1ccccc1)C[C@@H](O)CC[NH3+] ZINC001577728589 984693069 /nfs/dbraw/zinc/69/30/69/984693069.db2.gz HQQIWRIYWKENGG-AWEZNQCLSA-N 2 1 236.359 1.261 20 0 BDADMP CCN(CCc1c[nH+]cn1C)[C@@H]1CCC[NH2+]C1 ZINC001577731672 984695411 /nfs/dbraw/zinc/69/54/11/984695411.db2.gz YNMPYHMEKYHSFU-CYBMUJFWSA-N 2 1 236.363 1.037 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)C1CC1 ZINC001578075183 984839430 /nfs/dbraw/zinc/83/94/30/984839430.db2.gz GNFCSOHAPFGVOR-NEPJUHHUSA-N 2 1 212.337 1.128 20 0 BDADMP C[C@H]1CC(n2cc[nH+]c2CCC[NH3+])C[C@H](C)O1 ZINC001257085883 984851163 /nfs/dbraw/zinc/85/11/63/984851163.db2.gz CFKNGROKUVALKO-QWRGUYRKSA-N 2 1 237.347 1.903 20 0 BDADMP CC[C@@H](O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC001578226181 984876283 /nfs/dbraw/zinc/87/62/83/984876283.db2.gz WFIIEEJOEHFGLW-WHOHXGKFSA-N 2 1 214.353 1.205 20 0 BDADMP CC[C@@H](O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC001578226181 984876286 /nfs/dbraw/zinc/87/62/86/984876286.db2.gz WFIIEEJOEHFGLW-WHOHXGKFSA-N 2 1 214.353 1.205 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001578160813 984864589 /nfs/dbraw/zinc/86/45/89/984864589.db2.gz DMQKLCLZSYYWPF-XKSSXDPKSA-N 2 1 222.279 1.126 20 0 BDADMP CCOc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001578197619 984868325 /nfs/dbraw/zinc/86/83/25/984868325.db2.gz GNTYOICJMPCOPE-TXEJJXNPSA-N 2 1 220.316 1.665 20 0 BDADMP CCc1cc(N[C@H]2C[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC001578249226 984904148 /nfs/dbraw/zinc/90/41/48/984904148.db2.gz UWWKNCBUCXTFOO-CZMCAQCFSA-N 2 1 206.293 1.249 20 0 BDADMP CC[C@@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001257429343 984995814 /nfs/dbraw/zinc/99/58/14/984995814.db2.gz PVYIGYGNSGGJPY-NXEZZACHSA-N 2 1 216.325 1.045 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CC[NH2+]CC1 ZINC001578428976 985062137 /nfs/dbraw/zinc/06/21/37/985062137.db2.gz KNGYWWQFXDWYGY-UHFFFAOYSA-N 3 1 248.374 1.237 20 0 BDADMP C[N@@H+](C[C@H]1CCC[C@@H]1O)CC1(C[NH3+])CCC1 ZINC001578451304 985086013 /nfs/dbraw/zinc/08/60/13/985086013.db2.gz GPMMKSHZSQPADT-NEPJUHHUSA-N 2 1 226.364 1.208 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CNCC(C)(C)C[NH3+] ZINC001578529380 985156287 /nfs/dbraw/zinc/15/62/87/985156287.db2.gz TUCPNQOGXSJXOT-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP CN1CCCC[C@@H]1C[NH2+]CC(C)(C)C[NH3+] ZINC001578529380 985156291 /nfs/dbraw/zinc/15/62/91/985156291.db2.gz TUCPNQOGXSJXOT-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N)nc3)[C@H]2C1 ZINC001578520910 985141247 /nfs/dbraw/zinc/14/12/47/985141247.db2.gz IXMSFUKBSWHJTH-AVGNSLFASA-N 2 1 246.358 1.094 20 0 BDADMP CN1CC[C@@H]([N@@H+](C)CCCCCCC[NH3+])C1=O ZINC001578524809 985149210 /nfs/dbraw/zinc/14/92/10/985149210.db2.gz JLCZQEZWTLLBIT-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP C[N@H+]1CCCC[C@H]1CNC[C@H]([NH3+])CC(F)F ZINC001578528541 985158109 /nfs/dbraw/zinc/15/81/09/985158109.db2.gz IWDXJHKFAUDOIX-ZJUUUORDSA-N 2 1 235.322 1.043 20 0 BDADMP C[N@@H+]1CCC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578529413 985159895 /nfs/dbraw/zinc/15/98/95/985159895.db2.gz UNORREZRBOBOLJ-BFHYXJOUSA-N 2 1 237.391 1.202 20 0 BDADMP C[N@H+]1CCC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578529413 985159907 /nfs/dbraw/zinc/15/99/07/985159907.db2.gz UNORREZRBOBOLJ-BFHYXJOUSA-N 2 1 237.391 1.202 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000687189785 985256701 /nfs/dbraw/zinc/25/67/01/985256701.db2.gz AUTGLLVQBHUIFF-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]C[C@H](O)C[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC001578653649 985267830 /nfs/dbraw/zinc/26/78/30/985267830.db2.gz BBHLTBNBENOZFB-AWEZNQCLSA-N 2 1 248.370 1.544 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@H](O)C(C)C ZINC001578662034 985271621 /nfs/dbraw/zinc/27/16/21/985271621.db2.gz ASFVGXHPJWISLQ-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H](O)C(C)C ZINC001578662034 985271626 /nfs/dbraw/zinc/27/16/26/985271626.db2.gz ASFVGXHPJWISLQ-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2(O)CCCCCC2)C1 ZINC001578663560 985278731 /nfs/dbraw/zinc/27/87/31/985278731.db2.gz FPOCWJSFGUFWNO-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1C ZINC001578803137 985378005 /nfs/dbraw/zinc/37/80/05/985378005.db2.gz INZNUUKBPHEAQY-OUAUKWLOSA-N 2 1 242.363 1.291 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)C(C)C ZINC000687799142 985390286 /nfs/dbraw/zinc/39/02/86/985390286.db2.gz WFJAFPHOAMOGCK-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)C(C)C ZINC000687799142 985390296 /nfs/dbraw/zinc/39/02/96/985390296.db2.gz WFJAFPHOAMOGCK-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP COC(=O)[C@@H](C)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578829576 985402581 /nfs/dbraw/zinc/40/25/81/985402581.db2.gz XYXZZUHCSXYZHD-WAAKLRNESA-N 2 1 240.347 1.058 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001459524365 985513193 /nfs/dbraw/zinc/51/31/93/985513193.db2.gz CNLGMUNGMLZULD-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000688053115 985539200 /nfs/dbraw/zinc/53/92/00/985539200.db2.gz MKVUHGXBWCVSCV-FVCCEPFGSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000688053115 985539205 /nfs/dbraw/zinc/53/92/05/985539205.db2.gz MKVUHGXBWCVSCV-FVCCEPFGSA-N 2 1 224.348 1.238 20 0 BDADMP COC[C@H](C[NH2+][C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC001578961776 985564161 /nfs/dbraw/zinc/56/41/61/985564161.db2.gz SGLCQKZDAOTLPA-AVGNSLFASA-N 2 1 228.380 1.635 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1F ZINC001579004545 985667037 /nfs/dbraw/zinc/66/70/37/985667037.db2.gz USFMAYNFOILDTE-GMTAPVOTSA-N 2 1 218.316 1.221 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cncnc1)CC2 ZINC001276302022 985672772 /nfs/dbraw/zinc/67/27/72/985672772.db2.gz BPDCOTUPFLOMCB-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP COCCSCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001579073688 985690225 /nfs/dbraw/zinc/69/02/25/985690225.db2.gz SBPMBHNAHOIGGH-UHFFFAOYSA-N 2 1 244.404 1.179 20 0 BDADMP COCCSCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC001579073688 985690231 /nfs/dbraw/zinc/69/02/31/985690231.db2.gz SBPMBHNAHOIGGH-UHFFFAOYSA-N 2 1 244.404 1.179 20 0 BDADMP COc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)ccn1 ZINC001579149499 985814849 /nfs/dbraw/zinc/81/48/49/985814849.db2.gz ZLHBCQKJJKIDFW-OLZOCXBDSA-N 2 1 247.342 1.132 20 0 BDADMP COc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)ccn1 ZINC001579149499 985814852 /nfs/dbraw/zinc/81/48/52/985814852.db2.gz ZLHBCQKJJKIDFW-OLZOCXBDSA-N 2 1 247.342 1.132 20 0 BDADMP CCSCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460861643 985916425 /nfs/dbraw/zinc/91/64/25/985916425.db2.gz BYNKCGDWXIQQGE-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP CCSCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460861643 985916434 /nfs/dbraw/zinc/91/64/34/985916434.db2.gz BYNKCGDWXIQQGE-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP CCSCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460861643 985916446 /nfs/dbraw/zinc/91/64/46/985916446.db2.gz BYNKCGDWXIQQGE-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)[C@H](C)CCO1 ZINC001579439910 985925887 /nfs/dbraw/zinc/92/58/87/985925887.db2.gz BJCPGYHWAGFHON-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001579454453 985939382 /nfs/dbraw/zinc/93/93/82/985939382.db2.gz DBBVLGMUXBPDME-RDBSUJKOSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001579454453 985939394 /nfs/dbraw/zinc/93/93/94/985939394.db2.gz DBBVLGMUXBPDME-RDBSUJKOSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C2 ZINC001579473580 985984635 /nfs/dbraw/zinc/98/46/35/985984635.db2.gz GJSVDTFSAZQBTP-CRWXNKLISA-N 2 1 238.375 1.079 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC001461224017 986024373 /nfs/dbraw/zinc/02/43/73/986024373.db2.gz SFAGQCVQAOOIAY-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1[C@@H](O)CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001579506405 986046274 /nfs/dbraw/zinc/04/62/74/986046274.db2.gz KLVVGNUWEHGCGL-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+]C[C@]2(C)CC[NH2+]C2)c1 ZINC001579544258 986076195 /nfs/dbraw/zinc/07/61/95/986076195.db2.gz UIDASXNFTQLBDL-CYBMUJFWSA-N 2 1 235.331 1.185 20 0 BDADMP COc1cccnc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615478 986095651 /nfs/dbraw/zinc/09/56/51/986095651.db2.gz FHLNWXLDADNYFX-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1cccnc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615478 986095672 /nfs/dbraw/zinc/09/56/72/986095672.db2.gz FHLNWXLDADNYFX-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)on1 ZINC001579598382 986108470 /nfs/dbraw/zinc/10/84/70/986108470.db2.gz SKBAXZMGAXXCON-MNOVXSKESA-N 2 1 221.304 1.024 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)on1 ZINC001579598382 986108511 /nfs/dbraw/zinc/10/85/11/986108511.db2.gz SKBAXZMGAXXCON-MNOVXSKESA-N 2 1 221.304 1.024 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCC(=O)C2)CC1 ZINC001258769484 986152243 /nfs/dbraw/zinc/15/22/43/986152243.db2.gz PUMWNODDGIXGQQ-CYBMUJFWSA-N 2 1 238.375 1.962 20 0 BDADMP C[C@@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001461798301 986162235 /nfs/dbraw/zinc/16/22/35/986162235.db2.gz XASUOSBZGPVXPJ-VXGBXAGGSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1cccc(CC[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC001579759722 986218041 /nfs/dbraw/zinc/21/80/41/986218041.db2.gz UFTUBDMGYNEAGI-WDNDVIMCSA-N 2 1 231.343 1.082 20 0 BDADMP Cc1cccc(CC[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC001579759722 986218052 /nfs/dbraw/zinc/21/80/52/986218052.db2.gz UFTUBDMGYNEAGI-WDNDVIMCSA-N 2 1 231.343 1.082 20 0 BDADMP Cc1ccnc(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)c1 ZINC001579811903 986227922 /nfs/dbraw/zinc/22/79/22/986227922.db2.gz UIGCWPTYSIAAKK-WCQYABFASA-N 2 1 217.316 1.089 20 0 BDADMP C[NH+]1CCC(CCO)([NH2+]CCC(C)(C)C)CC1 ZINC001462058144 986270111 /nfs/dbraw/zinc/27/01/11/986270111.db2.gz HHIKGRZTQSMTSY-UHFFFAOYSA-N 2 1 242.407 1.859 20 0 BDADMP Cc1nc([C@@H](C)[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)no1 ZINC001579846067 986271255 /nfs/dbraw/zinc/27/12/55/986271255.db2.gz SFATZCAHKWRGMN-FKTZTGRPSA-N 2 1 224.308 1.156 20 0 BDADMP Cc1nc(C)c(CNC(=O)c2coc(CN)c2)[nH]1 ZINC001579858710 986281600 /nfs/dbraw/zinc/28/16/00/986281600.db2.gz MEYAFKXABYUJLZ-UHFFFAOYSA-N 2 1 248.286 1.008 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CCCCO3)C[C@@H]2C1 ZINC001462170539 986302975 /nfs/dbraw/zinc/30/29/75/986302975.db2.gz KKRVRYAYERQCMB-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](O)C1 ZINC001258907031 986309896 /nfs/dbraw/zinc/30/98/96/986309896.db2.gz DEXITYAKJNNTHJ-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH+]1CCC([NH2+]CCCC2(O)CCC2)CC1 ZINC001462359387 986363414 /nfs/dbraw/zinc/36/34/14/986363414.db2.gz WCURXBPORIRIRI-UHFFFAOYSA-N 2 1 226.364 1.365 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253778246 986413178 /nfs/dbraw/zinc/41/31/78/986413178.db2.gz KDKAEMHYMARTSQ-YVECIDJPSA-N 2 1 226.364 1.218 20 0 BDADMP FC1(F)[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC001580023965 986428847 /nfs/dbraw/zinc/42/88/47/986428847.db2.gz LNOMHKUCIBUEGS-MXWKQRLJSA-N 2 1 230.302 1.573 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@@H]2C1 ZINC001462664483 986495881 /nfs/dbraw/zinc/49/58/81/986495881.db2.gz GZEKPKDCDZDXNE-RVMXOQNASA-N 2 1 224.348 1.095 20 0 BDADMP [NH3+][C@H](C[NH2+][C@]12C[C@H]1COC21CCC1)CC(F)F ZINC001580132903 986602953 /nfs/dbraw/zinc/60/29/53/986602953.db2.gz RMGTXLGKKCCKLO-HOTUBEGUSA-N 2 1 246.301 1.270 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](CO)CC2)CC1 ZINC001254516346 986654877 /nfs/dbraw/zinc/65/48/77/986654877.db2.gz LYTDQJPMNMCMPG-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](CO)CC2)CC1 ZINC001254516346 986654852 /nfs/dbraw/zinc/65/48/52/986654852.db2.gz LYTDQJPMNMCMPG-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC001254516346 986654869 /nfs/dbraw/zinc/65/48/69/986654869.db2.gz LYTDQJPMNMCMPG-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP COCC1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515880 986664356 /nfs/dbraw/zinc/66/43/56/986664356.db2.gz FXJWWBLVOSSFDZ-GFCCVEGCSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCOCC3)C[NH2+]1 ZINC000379721052 986676462 /nfs/dbraw/zinc/67/64/62/986676462.db2.gz CWLDSGCHBOYBAQ-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2CCC3(C2)CCOCC3)C[NH2+]1 ZINC000379721052 986676473 /nfs/dbraw/zinc/67/64/73/986676473.db2.gz CWLDSGCHBOYBAQ-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)C1CCCCC1 ZINC001580229856 986677760 /nfs/dbraw/zinc/67/77/60/986677760.db2.gz UQMNLTAJXXEHAP-CYBMUJFWSA-N 2 1 249.358 1.784 20 0 BDADMP [NH3+]CC12CCC(CC1)[N@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC001580248098 986705252 /nfs/dbraw/zinc/70/52/52/986705252.db2.gz GVHMHSFQKNJTRA-RJZJGCCBSA-N 2 1 236.359 1.369 20 0 BDADMP [NH3+]CCC1CC([NH2+]C[C@H]2CN3CCC2CC3)C1 ZINC001580287144 986732313 /nfs/dbraw/zinc/73/23/13/986732313.db2.gz RGFFSJGIRBMIIA-QRMWWUJWSA-N 2 1 237.391 1.045 20 0 BDADMP [NH3+]Cc1cccc(C[NH2+]Cc2cnccn2)c1 ZINC001580342985 986782323 /nfs/dbraw/zinc/78/23/23/986782323.db2.gz RWOZCDBTIUBZEF-UHFFFAOYSA-N 2 1 228.299 1.225 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCn3cccc3C2)C1 ZINC001580387016 986812693 /nfs/dbraw/zinc/81/26/93/986812693.db2.gz DYDGHZNBOUURKK-NWDGAFQWSA-N 2 1 219.332 1.431 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc3cnccc3o2)C1 ZINC001580423019 986843147 /nfs/dbraw/zinc/84/31/47/986843147.db2.gz LZEYBFNPTZCZDJ-AOOOYVTPSA-N 2 1 217.272 1.407 20 0 BDADMP CCO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000701715278 986855130 /nfs/dbraw/zinc/85/51/30/986855130.db2.gz JALCJDORYKTVDB-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP COc1ncccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC000393181918 986858109 /nfs/dbraw/zinc/85/81/09/986858109.db2.gz CJCZALPAUHTHPZ-LBPRGKRZSA-N 2 1 235.331 1.403 20 0 BDADMP COc1ncccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000393181918 986858114 /nfs/dbraw/zinc/85/81/14/986858114.db2.gz CJCZALPAUHTHPZ-LBPRGKRZSA-N 2 1 235.331 1.403 20 0 BDADMP CCCC[C@@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001255313915 986904678 /nfs/dbraw/zinc/90/46/78/986904678.db2.gz SAYKAVZDBTXMBE-VXGBXAGGSA-N 2 1 244.379 1.825 20 0 BDADMP C[N@H+](C1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC001256072365 987127745 /nfs/dbraw/zinc/12/77/45/987127745.db2.gz CSZXCLFYTNNYBQ-UHFFFAOYSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@@H+](C1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC001256072365 987127750 /nfs/dbraw/zinc/12/77/50/987127750.db2.gz CSZXCLFYTNNYBQ-UHFFFAOYSA-N 2 1 238.375 1.724 20 0 BDADMP CCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615440 987246256 /nfs/dbraw/zinc/24/62/56/987246256.db2.gz HAVQRWIRMGXXNH-WODVXLOZSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1CO ZINC000691346050 987283465 /nfs/dbraw/zinc/28/34/65/987283465.db2.gz CUHRLPIXKFBTLH-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@](C)(O)c1ccccc1 ZINC001245999677 987283697 /nfs/dbraw/zinc/28/36/97/987283697.db2.gz BZEHMDDYAURORH-STQMWFEESA-N 2 1 222.332 1.221 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001245999633 987285845 /nfs/dbraw/zinc/28/58/45/987285845.db2.gz BGEMCXJPSULUQZ-VXGBXAGGSA-N 2 1 226.295 1.186 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1CO ZINC000691346052 987286519 /nfs/dbraw/zinc/28/65/19/987286519.db2.gz CUHRLPIXKFBTLH-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP CCn1ccnc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000692472305 987291794 /nfs/dbraw/zinc/29/17/94/987291794.db2.gz DBKOGMPEFKKXKQ-NSHDSACASA-N 2 1 222.336 1.074 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)CC1 ZINC001246017021 987300697 /nfs/dbraw/zinc/30/06/97/987300697.db2.gz PRHQDNGGTXOQGI-KGLIPLIRSA-N 2 1 234.343 1.533 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022033 987312396 /nfs/dbraw/zinc/31/23/96/987312396.db2.gz PCKVBWHPJGMMAP-QWHCGFSZSA-N 2 1 246.370 1.690 20 0 BDADMP CCC[C@@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246027576 987322773 /nfs/dbraw/zinc/32/27/73/987322773.db2.gz AXHUQGSZWFKQHG-CHWSQXEVSA-N 2 1 226.364 1.365 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246027576 987322784 /nfs/dbraw/zinc/32/27/84/987322784.db2.gz AXHUQGSZWFKQHG-CHWSQXEVSA-N 2 1 226.364 1.365 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246027715 987323913 /nfs/dbraw/zinc/32/39/13/987323913.db2.gz YGXAODZFSLFGDB-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP CC1(C)C[N@H+](CC[C@H]2CCOC2)C[C@@H]1[NH3+] ZINC000400730523 987324411 /nfs/dbraw/zinc/32/44/11/987324411.db2.gz YPPCHSXGANPJMO-QWRGUYRKSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1[NH3+] ZINC000400730523 987324418 /nfs/dbraw/zinc/32/44/18/987324418.db2.gz YPPCHSXGANPJMO-QWRGUYRKSA-N 2 1 212.337 1.082 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246033673 987337670 /nfs/dbraw/zinc/33/76/70/987337670.db2.gz ONBDNLRCEUBGIT-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246033673 987337675 /nfs/dbraw/zinc/33/76/75/987337675.db2.gz ONBDNLRCEUBGIT-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@](O)(C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001246044316 987340233 /nfs/dbraw/zinc/34/02/33/987340233.db2.gz GQYKDSNDGAHQTK-QLFBSQMISA-N 2 1 246.354 1.317 20 0 BDADMP C[C@](O)(C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001246044316 987340242 /nfs/dbraw/zinc/34/02/42/987340242.db2.gz GQYKDSNDGAHQTK-QLFBSQMISA-N 2 1 246.354 1.317 20 0 BDADMP C[C@](O)(C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001246044314 987341700 /nfs/dbraw/zinc/34/17/00/987341700.db2.gz GQYKDSNDGAHQTK-ILXRZTDVSA-N 2 1 246.354 1.317 20 0 BDADMP C[C@](O)(C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001246044314 987341706 /nfs/dbraw/zinc/34/17/06/987341706.db2.gz GQYKDSNDGAHQTK-ILXRZTDVSA-N 2 1 246.354 1.317 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccn1 ZINC000697863348 987366130 /nfs/dbraw/zinc/36/61/30/987366130.db2.gz KLVNXJGFDKMQHW-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2(C)CCOCC2)C[NH2+]1 ZINC001246080091 987372139 /nfs/dbraw/zinc/37/21/39/987372139.db2.gz DRHNUXINOKGUHE-QWRGUYRKSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246082189 987378780 /nfs/dbraw/zinc/37/87/80/987378780.db2.gz VKWMCBMZBPILRH-TUAOUCFPSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246089809 987395114 /nfs/dbraw/zinc/39/51/14/987395114.db2.gz DWWPRRODVKYHEJ-AGIUHOORSA-N 3 1 239.407 1.495 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246090323 987395494 /nfs/dbraw/zinc/39/54/94/987395494.db2.gz WHSSQZNXHROGPA-FQUUOJAGSA-N 3 1 239.407 1.623 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246091889 987399823 /nfs/dbraw/zinc/39/98/23/987399823.db2.gz HSURGKWRUQLCOY-FRRDWIJNSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246096465 987408196 /nfs/dbraw/zinc/40/81/96/987408196.db2.gz UYUOYSUTTDQCHU-UPJWGTAASA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096927 987409945 /nfs/dbraw/zinc/40/99/45/987409945.db2.gz NQTLJYBKYBTLJR-XGFWRYKXSA-N 3 1 237.391 1.247 20 0 BDADMP CCOC1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246101810 987423644 /nfs/dbraw/zinc/42/36/44/987423644.db2.gz MKXKQTXVYUDSJM-BLYZHGLHSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246102765 987427684 /nfs/dbraw/zinc/42/76/84/987427684.db2.gz WXEXGZILWZRRST-XJFOESAGSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@H]1CC[C@H](C[NH2+]C2CCN(C)CC2)C[NH2+]1 ZINC001246103828 987428361 /nfs/dbraw/zinc/42/83/61/987428361.db2.gz XZMLHHNOYXPHGC-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105509 987433384 /nfs/dbraw/zinc/43/33/84/987433384.db2.gz MQKYXCOQVLZMBU-AAEUAGOBSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246116207 987461248 /nfs/dbraw/zinc/46/12/48/987461248.db2.gz VYTNKYTZBVHEFH-IPYPFGDCSA-N 2 1 247.386 1.990 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246121847 987469681 /nfs/dbraw/zinc/46/96/81/987469681.db2.gz UKEJWJYXVMZHGQ-QWHCGFSZSA-N 3 1 239.407 1.306 20 0 BDADMP C[NH+](C)CCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246170940 987478976 /nfs/dbraw/zinc/47/89/76/987478976.db2.gz PBYMNVGIJKQLKU-LBPRGKRZSA-N 3 1 213.369 1.060 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246133058 987484292 /nfs/dbraw/zinc/48/42/92/987484292.db2.gz NPWGDBBOQXXEQB-ZSLBOAEBSA-N 3 1 237.391 1.105 20 0 BDADMP C1CC12C[NH2+]C[C@@H]2NC1CCC2(CC[NH2+]C2)CC1 ZINC001246134173 987489123 /nfs/dbraw/zinc/48/91/23/987489123.db2.gz PPARKBVEWHLTMS-MOKVOYLWSA-N 2 1 249.402 1.250 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246136888 987494770 /nfs/dbraw/zinc/49/47/70/987494770.db2.gz YNEJVTXHGBRWDQ-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246152937 987511742 /nfs/dbraw/zinc/51/17/42/987511742.db2.gz PVYIGYGNSGGJPY-ZJUUUORDSA-N 2 1 216.325 1.045 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C23CCC([NH3+])(CC2)CC3)C[NH2+]1 ZINC001246164182 987528162 /nfs/dbraw/zinc/52/81/62/987528162.db2.gz UBHLVQDFVPUIOQ-IWMBGFJWSA-N 3 1 237.391 1.521 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246167690 987528268 /nfs/dbraw/zinc/52/82/68/987528268.db2.gz AAGQOAZFHXYROR-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N)CC[NH2+]1 ZINC001246173436 987536929 /nfs/dbraw/zinc/53/69/29/987536929.db2.gz UBFVRMPTGZDZDV-CMPLNLGQSA-N 2 1 219.332 1.499 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246190068 987578092 /nfs/dbraw/zinc/57/80/92/987578092.db2.gz OTEGNHNIELYWQX-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[C@H](N[C@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246190065 987578406 /nfs/dbraw/zinc/57/84/06/987578406.db2.gz OTEGNHNIELYWQX-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246201473 987599934 /nfs/dbraw/zinc/59/99/34/987599934.db2.gz HDLNXFHUPQUUAD-YIYPIFLZSA-N 3 1 239.407 1.624 20 0 BDADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246207106 987602221 /nfs/dbraw/zinc/60/22/21/987602221.db2.gz UTNQZVSFIOQHJU-IJLUTSLNSA-N 3 1 225.380 1.377 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246206336 987604147 /nfs/dbraw/zinc/60/41/47/987604147.db2.gz ZOJJTMRIYMXDII-DDHJBXDOSA-N 3 1 225.380 1.375 20 0 BDADMP C[C@H]1C[C@H](NC[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246220736 987619246 /nfs/dbraw/zinc/61/92/46/987619246.db2.gz FNNJDUJJOCEHAI-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246220736 987619252 /nfs/dbraw/zinc/61/92/52/987619252.db2.gz FNNJDUJJOCEHAI-YNEHKIRRSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246220736 987619260 /nfs/dbraw/zinc/61/92/60/987619260.db2.gz FNNJDUJJOCEHAI-YNEHKIRRSA-N 3 1 225.380 1.058 20 0 BDADMP Cc1ccnc(CCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246242637 987645386 /nfs/dbraw/zinc/64/53/86/987645386.db2.gz ZVXCSLYNYWWAFA-AWEZNQCLSA-N 2 1 233.359 1.664 20 0 BDADMP CC(C)(C[NH3+])C[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246250752 987647758 /nfs/dbraw/zinc/64/77/58/987647758.db2.gz RNWHBZAYPMYZJX-NWDGAFQWSA-N 3 1 241.423 1.728 20 0 BDADMP Cc1occc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246255588 987654068 /nfs/dbraw/zinc/65/40/68/987654068.db2.gz LXXHCXCSVIKRNE-JOYOIKCWSA-N 2 1 208.305 1.818 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246299496 987694849 /nfs/dbraw/zinc/69/48/49/987694849.db2.gz LEIIMJBVNZENCF-RWMBFGLXSA-N 2 1 226.364 1.291 20 0 BDADMP CC[C@@H]1CC([NH2+][C@H](C)CC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246301676 987697113 /nfs/dbraw/zinc/69/71/13/987697113.db2.gz UVSQUMQTHALNTE-IJLUTSLNSA-N 3 1 227.396 1.623 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC(C)(C)C1 ZINC001246304070 987701156 /nfs/dbraw/zinc/70/11/56/987701156.db2.gz GSBYPXQEGNUHOA-NDBYEHHHSA-N 2 1 240.391 1.371 20 0 BDADMP CCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246306464 987704837 /nfs/dbraw/zinc/70/48/37/987704837.db2.gz KPEDDIKRPPOWHM-IHRRRGAJSA-N 2 1 242.407 1.905 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246306182 987705332 /nfs/dbraw/zinc/70/53/32/987705332.db2.gz QLFUCLUPNYQJFJ-QJPTWQEYSA-N 3 1 213.369 1.090 20 0 BDADMP CC[C@@H]([NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246310974 987710494 /nfs/dbraw/zinc/71/04/94/987710494.db2.gz BJDBRTZAECGEGB-LPWJVIDDSA-N 2 1 225.380 1.329 20 0 BDADMP Oc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246313071 987717354 /nfs/dbraw/zinc/71/73/54/987717354.db2.gz XMRUGLQBDCVVQR-ZIAGYGMSSA-N 2 1 246.354 1.591 20 0 BDADMP CC[C@H](N)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001246316354 987718980 /nfs/dbraw/zinc/71/89/80/987718980.db2.gz ZBIOMUCQJMYSHR-UNXYVOJBSA-N 2 1 213.369 1.186 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001246315276 987719931 /nfs/dbraw/zinc/71/99/31/987719931.db2.gz RSXYCKUBNULDFP-SNVBAGLBSA-N 2 1 243.395 1.724 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246314876 987720150 /nfs/dbraw/zinc/72/01/50/987720150.db2.gz ZSULJXUWVUETSQ-LBPRGKRZSA-N 2 1 239.407 1.482 20 0 BDADMP CC[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246319279 987723494 /nfs/dbraw/zinc/72/34/94/987723494.db2.gz UTKRTARNYLENGW-GJZGRUSLSA-N 2 1 247.386 1.588 20 0 BDADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001246319279 987723504 /nfs/dbraw/zinc/72/35/04/987723504.db2.gz UTKRTARNYLENGW-GJZGRUSLSA-N 2 1 247.386 1.588 20 0 BDADMP [NH3+]CCC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246335766 987745057 /nfs/dbraw/zinc/74/50/57/987745057.db2.gz MDYYECHKLZLIPA-BPCQOVAHSA-N 3 1 225.380 1.236 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCN2CCC(F)CC2)CC[NH2+]1 ZINC001246338674 987748178 /nfs/dbraw/zinc/74/81/78/987748178.db2.gz ADKBBGGCLPABHL-AAEUAGOBSA-N 2 1 243.370 1.150 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)CC[NH2+]1 ZINC001246346196 987755715 /nfs/dbraw/zinc/75/57/15/987755715.db2.gz ILBLFLDPTMFMFZ-MWLCHTKSSA-N 2 1 223.295 1.451 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2C=C(N)C=CC2)C[C@H](CC)[NH2+]1 ZINC001246355995 987763703 /nfs/dbraw/zinc/76/37/03/987763703.db2.gz RIKSHQQUOLEZRX-BTTYYORXSA-N 2 1 235.375 1.968 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2C=C(N)C=CC2)C[C@H](CC)[NH2+]1 ZINC001246355995 987763706 /nfs/dbraw/zinc/76/37/06/987763706.db2.gz RIKSHQQUOLEZRX-BTTYYORXSA-N 2 1 235.375 1.968 20 0 BDADMP C1CCC([N@H+]2CC[C@@H](N[C@H]3CCC[NH2+]C3)C2)C1 ZINC001246361487 987766651 /nfs/dbraw/zinc/76/66/51/987766651.db2.gz OOONUJKEAQHMRV-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP C(C1CCC1)[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001246359173 987768249 /nfs/dbraw/zinc/76/82/49/987768249.db2.gz FLDSGRWGYHUWKX-KBPBESRZSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246402255 987784545 /nfs/dbraw/zinc/78/45/45/987784545.db2.gz UAWRKHOPDPHEEH-UWVGGRQHSA-N 2 1 216.325 1.045 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](C)C1 ZINC001246401471 987784688 /nfs/dbraw/zinc/78/46/88/987784688.db2.gz LNFZSBLKRQWGDC-SRVKXCTJSA-N 2 1 242.363 1.435 20 0 BDADMP CC[C@H](CC(C)C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246454914 987808831 /nfs/dbraw/zinc/80/88/31/987808831.db2.gz VFYMLNSCHWYAON-CYBMUJFWSA-N 3 1 229.412 1.729 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453947 987810164 /nfs/dbraw/zinc/81/01/64/987810164.db2.gz RKEVRXKCCNEVTH-OLZOCXBDSA-N 3 1 227.396 1.483 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)C1CC1 ZINC001474756351 987818792 /nfs/dbraw/zinc/81/87/92/987818792.db2.gz CVCBODRNAKOLIH-FTYKPCCVSA-N 2 1 208.349 1.715 20 0 BDADMP Cc1ncncc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246473222 987831879 /nfs/dbraw/zinc/83/18/79/987831879.db2.gz HFOHTKYOPXNISL-JOYOIKCWSA-N 2 1 220.320 1.015 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246490522 987844719 /nfs/dbraw/zinc/84/47/19/987844719.db2.gz DCHPTFMRKFPNJC-KBHBFKLGSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[C@H](NC2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246490522 987844727 /nfs/dbraw/zinc/84/47/27/987844727.db2.gz DCHPTFMRKFPNJC-KBHBFKLGSA-N 2 1 237.391 1.249 20 0 BDADMP CCCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246490139 987844852 /nfs/dbraw/zinc/84/48/52/987844852.db2.gz OJZIKONNHHPDEY-CHWSQXEVSA-N 2 1 227.396 1.496 20 0 BDADMP CCCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246490140 987845089 /nfs/dbraw/zinc/84/50/89/987845089.db2.gz OJZIKONNHHPDEY-OLZOCXBDSA-N 2 1 227.396 1.496 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(C[NH3+])cc2)CN1 ZINC001246487002 987845169 /nfs/dbraw/zinc/84/51/69/987845169.db2.gz YWPLLVZMVIUECX-DOMZBBRYSA-N 2 1 247.386 1.418 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001246487002 987845172 /nfs/dbraw/zinc/84/51/72/987845172.db2.gz YWPLLVZMVIUECX-DOMZBBRYSA-N 3 1 247.386 1.418 20 0 BDADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246497005 987853068 /nfs/dbraw/zinc/85/30/68/987853068.db2.gz NPPHWJQOOJTQEN-KBPBESRZSA-N 2 1 241.423 1.742 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC001246500211 987856051 /nfs/dbraw/zinc/85/60/51/987856051.db2.gz PWIYDUBDPYDVJC-DMDPSCGWSA-N 3 1 225.380 1.105 20 0 BDADMP C[N@H+](C1CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001246526646 987878708 /nfs/dbraw/zinc/87/87/08/987878708.db2.gz QPTCJWQFAIVWOC-UHFFFAOYSA-N 2 1 204.264 1.468 20 0 BDADMP C[N@@H+](C1CC(F)(F)C1)C1CC[NH2+]CC1 ZINC001246526646 987878712 /nfs/dbraw/zinc/87/87/12/987878712.db2.gz QPTCJWQFAIVWOC-UHFFFAOYSA-N 2 1 204.264 1.468 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246527394 987883272 /nfs/dbraw/zinc/88/32/72/987883272.db2.gz TZTGIXLJTABKGZ-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246527394 987883274 /nfs/dbraw/zinc/88/32/74/987883274.db2.gz TZTGIXLJTABKGZ-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246535718 987893789 /nfs/dbraw/zinc/89/37/89/987893789.db2.gz PFSCSTMIQVDFDK-KWBADKCTSA-N 2 1 222.332 1.167 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246535718 987893793 /nfs/dbraw/zinc/89/37/93/987893793.db2.gz PFSCSTMIQVDFDK-KWBADKCTSA-N 2 1 222.332 1.167 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246542019 987913833 /nfs/dbraw/zinc/91/38/33/987913833.db2.gz IODLXQGXMOSBJU-DDHJBXDOSA-N 2 1 240.347 1.140 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246542019 987913839 /nfs/dbraw/zinc/91/38/39/987913839.db2.gz IODLXQGXMOSBJU-DDHJBXDOSA-N 2 1 240.347 1.140 20 0 BDADMP CCSC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246547734 987927969 /nfs/dbraw/zinc/92/79/69/987927969.db2.gz MXCCFOHKHKJQSS-GARJFASQSA-N 2 1 216.394 1.655 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCSC2)CC1 ZINC001246549165 987938290 /nfs/dbraw/zinc/93/82/90/987938290.db2.gz HOFIJIRDNYGTMG-GHMZBOCLSA-N 2 1 214.378 1.695 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCSC2)CC1 ZINC001246550860 987948342 /nfs/dbraw/zinc/94/83/42/987948342.db2.gz ORTWYJBIEJHBSK-MNOVXSKESA-N 2 1 232.368 1.645 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCO1 ZINC001246555364 987965647 /nfs/dbraw/zinc/96/56/47/987965647.db2.gz DUEHSHMGSRWCKP-YIYPIFLZSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246555601 987966718 /nfs/dbraw/zinc/96/67/18/987966718.db2.gz XUFFQHRGKZYQKK-NEPJUHHUSA-N 3 1 213.369 1.188 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246555601 987966733 /nfs/dbraw/zinc/96/67/33/987966733.db2.gz XUFFQHRGKZYQKK-NEPJUHHUSA-N 3 1 213.369 1.188 20 0 BDADMP C[C@@H]1CC([N@@H+]2CCC[C@@](C)([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246556237 987970787 /nfs/dbraw/zinc/97/07/87/987970787.db2.gz YUCLTAQBKQAEHJ-YRGRVCCFSA-N 3 1 239.407 1.719 20 0 BDADMP C[C@@H]1CC([N@H+]2CCC[C@@](C)([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246556237 987970797 /nfs/dbraw/zinc/97/07/97/987970797.db2.gz YUCLTAQBKQAEHJ-YRGRVCCFSA-N 3 1 239.407 1.719 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246557796 987973525 /nfs/dbraw/zinc/97/35/25/987973525.db2.gz HXNSXYFNDIQTJS-ZRUFSTJUSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246557796 987973529 /nfs/dbraw/zinc/97/35/29/987973529.db2.gz HXNSXYFNDIQTJS-ZRUFSTJUSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556875 987978181 /nfs/dbraw/zinc/97/81/81/987978181.db2.gz GTCGAGMFQQBNEV-YPMHNXCESA-N 2 1 226.364 1.351 20 0 BDADMP CC(C)=CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557176 987978447 /nfs/dbraw/zinc/97/84/47/987978447.db2.gz FKQFUYZRHDVMDL-YNEHKIRRSA-N 2 1 226.364 1.515 20 0 BDADMP CCCC[C@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557923 987978842 /nfs/dbraw/zinc/97/88/42/987978842.db2.gz JHGVFRPSZNQFEP-STQMWFEESA-N 2 1 228.380 1.741 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC001118058463 988000940 /nfs/dbraw/zinc/00/09/40/988000940.db2.gz KHJFXKWKDUPNAY-JQWIXIFHSA-N 2 1 236.363 1.385 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246563530 988009075 /nfs/dbraw/zinc/00/90/75/988009075.db2.gz VHLATRKRJMQHPQ-AGIUHOORSA-N 2 1 226.364 1.351 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246564518 988011314 /nfs/dbraw/zinc/01/13/14/988011314.db2.gz XQGIKSBYTOBIFQ-AVGNSLFASA-N 3 1 227.396 1.291 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2)CCC[C@@H]1C[NH3+] ZINC001246564737 988011750 /nfs/dbraw/zinc/01/17/50/988011750.db2.gz GJXRQVYCSQZCQT-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCCNC2)CCC[C@@H]1C[NH3+] ZINC001246564737 988011763 /nfs/dbraw/zinc/01/17/63/988011763.db2.gz GJXRQVYCSQZCQT-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@@H+](CCCC(=O)OC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246565264 988011932 /nfs/dbraw/zinc/01/19/32/988011932.db2.gz PIKBHVFPWFXTAO-VXGBXAGGSA-N 2 1 242.363 1.402 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566545 988027893 /nfs/dbraw/zinc/02/78/93/988027893.db2.gz SEDUXZNRRXTTMT-UTUOFQBUSA-N 2 1 214.353 1.471 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566545 988027909 /nfs/dbraw/zinc/02/79/09/988027909.db2.gz SEDUXZNRRXTTMT-UTUOFQBUSA-N 2 1 214.353 1.471 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@@H](C)CC[C@H]2C[NH3+])C1 ZINC001246566749 988028605 /nfs/dbraw/zinc/02/86/05/988028605.db2.gz IMMKSQYGPWZRGX-AVGNSLFASA-N 2 1 225.380 1.140 20 0 BDADMP CCSC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566084 988033322 /nfs/dbraw/zinc/03/33/22/988033322.db2.gz FERPYGPGNQNOFI-OPRDCNLKSA-N 2 1 202.367 1.407 20 0 BDADMP CCSC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566084 988033325 /nfs/dbraw/zinc/03/33/25/988033325.db2.gz FERPYGPGNQNOFI-OPRDCNLKSA-N 2 1 202.367 1.407 20 0 BDADMP C[N@H+]1CCC[C@@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246569290 988039363 /nfs/dbraw/zinc/03/93/63/988039363.db2.gz DHPGCBQIAQVKKL-WDEREUQCSA-N 2 1 247.333 1.139 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](N)[C@@H](F)CC2)CCO1 ZINC001246570946 988046925 /nfs/dbraw/zinc/04/69/25/988046925.db2.gz QUJQVLMMIPILMO-USZNOCQGSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246570946 988046947 /nfs/dbraw/zinc/04/69/47/988046947.db2.gz QUJQVLMMIPILMO-USZNOCQGSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246570946 988046966 /nfs/dbraw/zinc/04/69/66/988046966.db2.gz QUJQVLMMIPILMO-USZNOCQGSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CCO1 ZINC001246570945 988049674 /nfs/dbraw/zinc/04/96/74/988049674.db2.gz QUJQVLMMIPILMO-QCNOEVLYSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCO1 ZINC001246570945 988049689 /nfs/dbraw/zinc/04/96/89/988049689.db2.gz QUJQVLMMIPILMO-QCNOEVLYSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCO1 ZINC001246570945 988049705 /nfs/dbraw/zinc/04/97/05/988049705.db2.gz QUJQVLMMIPILMO-QCNOEVLYSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](O)[C@@H](C)C2)CC[NH2+]1 ZINC001246571269 988065557 /nfs/dbraw/zinc/06/55/57/988065557.db2.gz ASHPNBXEESDEFI-LOWDOPEQSA-N 2 1 226.364 1.220 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CO1 ZINC001246574434 988069282 /nfs/dbraw/zinc/06/92/82/988069282.db2.gz YBYVDZLCEDXVAI-AXFHLTTASA-N 2 1 230.327 1.315 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CO1 ZINC001246574434 988069301 /nfs/dbraw/zinc/06/93/01/988069301.db2.gz YBYVDZLCEDXVAI-AXFHLTTASA-N 2 1 230.327 1.315 20 0 BDADMP NC[C@]1(F)CCCC[N@H+](C2CCOCC2)C1 ZINC001246575828 988080085 /nfs/dbraw/zinc/08/00/85/988080085.db2.gz JCQFKIUJZDIQHG-GFCCVEGCSA-N 2 1 230.327 1.318 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246577184 988087316 /nfs/dbraw/zinc/08/73/16/988087316.db2.gz NHSJEAAPDZASPZ-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(CO)CC2)CC[NH2+]1 ZINC001246577446 988095407 /nfs/dbraw/zinc/09/54/07/988095407.db2.gz RKTVYEAFRJDHGH-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246578982 988098087 /nfs/dbraw/zinc/09/80/87/988098087.db2.gz XDXRMDHLEFXSKA-IJLUTSLNSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246578982 988098105 /nfs/dbraw/zinc/09/81/05/988098105.db2.gz XDXRMDHLEFXSKA-IJLUTSLNSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C ZINC001246580216 988108829 /nfs/dbraw/zinc/10/88/29/988108829.db2.gz LBKOUFCQXWAAIJ-QNWJLWSRSA-N 2 1 226.364 1.063 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246582813 988119198 /nfs/dbraw/zinc/11/91/98/988119198.db2.gz TZEOVWBWUSEMBJ-AGIUHOORSA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246582813 988119212 /nfs/dbraw/zinc/11/92/12/988119212.db2.gz TZEOVWBWUSEMBJ-AGIUHOORSA-N 2 1 244.354 1.707 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246583093 988123375 /nfs/dbraw/zinc/12/33/75/988123375.db2.gz UCIILGXBLAPMDP-QWRGUYRKSA-N 2 1 218.316 1.174 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246585656 988131104 /nfs/dbraw/zinc/13/11/04/988131104.db2.gz PNNPOVRMZBZDOJ-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@@H]([N@@H+]2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246585656 988131110 /nfs/dbraw/zinc/13/11/10/988131110.db2.gz PNNPOVRMZBZDOJ-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246585656 988131115 /nfs/dbraw/zinc/13/11/15/988131115.db2.gz PNNPOVRMZBZDOJ-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@]1(C)O ZINC001246587159 988149479 /nfs/dbraw/zinc/14/94/79/988149479.db2.gz FTPCOEUSFYODEE-MWWBDVBNSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586563 988150454 /nfs/dbraw/zinc/15/04/54/988150454.db2.gz RGSBJDUSWQZTGG-YVECIDJPSA-N 2 1 240.391 1.453 20 0 BDADMP CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246588577 988154869 /nfs/dbraw/zinc/15/48/69/988154869.db2.gz QNTXZSIIILHEAL-HBNTYKKESA-N 2 1 202.317 1.936 20 0 BDADMP CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246588577 988154877 /nfs/dbraw/zinc/15/48/77/988154877.db2.gz QNTXZSIIILHEAL-HBNTYKKESA-N 2 1 202.317 1.936 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC(C)(C)C[C@]2(C)CO)CC[NH2+]1 ZINC001246588100 988158969 /nfs/dbraw/zinc/15/89/69/988158969.db2.gz JHEFWSRSBLQCKY-YRGRVCCFSA-N 2 1 240.391 1.610 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCO1 ZINC001246596016 988197707 /nfs/dbraw/zinc/19/77/07/988197707.db2.gz YLSDRZYRMKRQFH-UTUOFQBUSA-N 2 1 244.354 1.705 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCO1 ZINC001246596016 988197717 /nfs/dbraw/zinc/19/77/17/988197717.db2.gz YLSDRZYRMKRQFH-UTUOFQBUSA-N 2 1 244.354 1.705 20 0 BDADMP CC1(C[NH3+])C[NH+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246602197 988213244 /nfs/dbraw/zinc/21/32/44/988213244.db2.gz WINMLTLRLHNGOK-AWEZNQCLSA-N 2 1 248.345 1.964 20 0 BDADMP CCCCC[C@@H](C)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621862 988270217 /nfs/dbraw/zinc/27/02/17/988270217.db2.gz GNJBCLGMZXGFKQ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@H](CC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246622763 988272899 /nfs/dbraw/zinc/27/28/99/988272899.db2.gz INFYVVUMSBXFIE-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP CC1(C)CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246628094 988292744 /nfs/dbraw/zinc/29/27/44/988292744.db2.gz XDLOBRIKMUHWIK-GXTWGEPZSA-N 2 1 237.391 1.202 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246630259 988308885 /nfs/dbraw/zinc/30/88/85/988308885.db2.gz HZZBRRMGGWLIFX-GRYCIOLGSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H]1CC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246641669 988346851 /nfs/dbraw/zinc/34/68/51/988346851.db2.gz WXRZBILFMHUNHE-YRRQLQLVSA-N 2 1 224.348 1.379 20 0 BDADMP C1CC2(C[NH2+]1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246644977 988356981 /nfs/dbraw/zinc/35/69/81/988356981.db2.gz ZUGBBTQJINTLKH-PBWFPOADSA-N 3 1 249.402 1.345 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645518 988367368 /nfs/dbraw/zinc/36/73/68/988367368.db2.gz BYHCNMRWUGTRTL-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)C[NH2+]1 ZINC001246648158 988372722 /nfs/dbraw/zinc/37/27/22/988372722.db2.gz OUBKTCWPQYYUIH-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCOC3)C2)C[NH2+]1 ZINC001246648158 988372731 /nfs/dbraw/zinc/37/27/31/988372731.db2.gz OUBKTCWPQYYUIH-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH2+]1 ZINC001246667839 988408767 /nfs/dbraw/zinc/40/87/67/988408767.db2.gz VXSNNRSPFFIRAA-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@@H+](CCC[NH3+])C1CCC2(CC[NH2+]CC2)CC1 ZINC001246680880 988430398 /nfs/dbraw/zinc/43/03/98/988430398.db2.gz MPIFZLCENCMCRZ-UHFFFAOYSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246688231 988436364 /nfs/dbraw/zinc/43/63/64/988436364.db2.gz DNRCMPARTOHLRM-RVMXOQNASA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1CCCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246768091 988458054 /nfs/dbraw/zinc/45/80/54/988458054.db2.gz FDCJHGHNCCOYAW-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2cccnc2)CC[NH2+]1 ZINC001246814451 988497704 /nfs/dbraw/zinc/49/77/04/988497704.db2.gz PFFFWGXPPJXRGH-TZMCWYRMSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC[NH2+]1 ZINC001246823224 988509813 /nfs/dbraw/zinc/50/98/13/988509813.db2.gz DIOASPBTKBPRAR-WISYIIOYSA-N 2 1 222.332 1.038 20 0 BDADMP C[N@H+]1C[C@@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246834959 988532617 /nfs/dbraw/zinc/53/26/17/988532617.db2.gz RMBBFHRXIIPQMN-DFKRWLTFSA-N 2 1 249.402 1.295 20 0 BDADMP COC(=O)CC[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246834162 988533332 /nfs/dbraw/zinc/53/33/32/988533332.db2.gz MQKCBDGNMUIOHC-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246835412 988533813 /nfs/dbraw/zinc/53/38/13/988533813.db2.gz JISSERXHTVMVBC-GFCCVEGCSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1C1CC[NH2+]CC1 ZINC001246835412 988533821 /nfs/dbraw/zinc/53/38/21/988533821.db2.gz JISSERXHTVMVBC-GFCCVEGCSA-N 2 1 212.337 1.095 20 0 BDADMP C1CC12CCCC[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845222 988553142 /nfs/dbraw/zinc/55/31/42/988553142.db2.gz LQSRAUUZCVTGTP-GFCCVEGCSA-N 2 1 235.375 1.099 20 0 BDADMP C[C@H]1C[C@H](N2CCC[N@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246846420 988554808 /nfs/dbraw/zinc/55/48/08/988554808.db2.gz HFJODXIOFRRLJS-MJBXVCDLSA-N 2 1 237.391 1.297 20 0 BDADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246845043 988558116 /nfs/dbraw/zinc/55/81/16/988558116.db2.gz IXXPWVDMGUPLNV-RWMBFGLXSA-N 2 1 228.380 1.595 20 0 BDADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246845043 988558125 /nfs/dbraw/zinc/55/81/25/988558125.db2.gz IXXPWVDMGUPLNV-RWMBFGLXSA-N 2 1 228.380 1.595 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246853251 988567883 /nfs/dbraw/zinc/56/78/83/988567883.db2.gz LJJHBIKVPGLIPC-NDBYEHHHSA-N 2 1 208.349 1.988 20 0 BDADMP C1C[C@@]2(C[N@H+]1C1CC[NH2+]CC1)CCCOC2 ZINC001246854604 988577780 /nfs/dbraw/zinc/57/77/80/988577780.db2.gz QJPWSPCFQXQZME-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@H]2CC([N@H+]3[C@@H]4CCC[C@H]3COC4)C[C@@H]1[NH2+]2 ZINC001246855189 988582447 /nfs/dbraw/zinc/58/24/47/988582447.db2.gz WAKHLORZCVVHOG-VEDUHTKKSA-N 2 1 236.359 1.523 20 0 BDADMP C1C[C@H]2CC([N@@H+]3[C@@H]4CCC[C@H]3COC4)C[C@@H]1[NH2+]2 ZINC001246855189 988582458 /nfs/dbraw/zinc/58/24/58/988582458.db2.gz WAKHLORZCVVHOG-VEDUHTKKSA-N 2 1 236.359 1.523 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1CCCSC1)C2 ZINC001246864906 988611505 /nfs/dbraw/zinc/61/15/05/988611505.db2.gz WOIYKLRALPKYQK-AXFHLTTASA-N 2 1 212.362 1.305 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)C[C@H](F)CS3)CC[NH2+]1 ZINC001246863787 988612320 /nfs/dbraw/zinc/61/23/20/988612320.db2.gz ZBAPQYJQYKVXFB-VWYCJHECSA-N 2 1 244.379 1.656 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC[NH2+]C1 ZINC001246872499 988634630 /nfs/dbraw/zinc/63/46/30/988634630.db2.gz APMKVLFTEYZCGU-FXJUQPSGSA-N 2 1 224.348 1.380 20 0 BDADMP CC[N@@H+](CCN)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246891857 988660219 /nfs/dbraw/zinc/66/02/19/988660219.db2.gz NMVIDJITUDYESD-UHFFFAOYSA-N 2 1 239.407 1.579 20 0 BDADMP CC[N@H+](CCNC)C1CCC2(C[NH2+]C2)CC1 ZINC001246890323 988661460 /nfs/dbraw/zinc/66/14/60/988661460.db2.gz IZBHKJBJMWFMQH-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CC[N@@H+](CCNC)C1CCC2(C[NH2+]C2)CC1 ZINC001246890323 988661461 /nfs/dbraw/zinc/66/14/61/988661461.db2.gz IZBHKJBJMWFMQH-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CCC[N@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246897021 988669956 /nfs/dbraw/zinc/66/99/56/988669956.db2.gz IPAVYXHHANQKQK-JSGCOSHPSA-N 3 1 239.407 1.591 20 0 BDADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246897021 988669959 /nfs/dbraw/zinc/66/99/59/988669959.db2.gz IPAVYXHHANQKQK-JSGCOSHPSA-N 3 1 239.407 1.591 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246896227 988670179 /nfs/dbraw/zinc/67/01/79/988670179.db2.gz VWTYNNFRRCFKBC-YUSALJHKSA-N 2 1 210.321 1.038 20 0 BDADMP CCC[C@H]1C[N@H+](C2CCC([NH2+]C)CC2)CCN1 ZINC001246902369 988673937 /nfs/dbraw/zinc/67/39/37/988673937.db2.gz IWOKFEQHWYPIPL-MOKVOYLWSA-N 2 1 239.407 1.591 20 0 BDADMP CCC[C@H]1CN(C2CCC([NH2+]C)CC2)CC[NH2+]1 ZINC001246902369 988673945 /nfs/dbraw/zinc/67/39/45/988673945.db2.gz IWOKFEQHWYPIPL-MOKVOYLWSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@H]2CCC[NH2+]C2)C1 ZINC001246910920 988693171 /nfs/dbraw/zinc/69/31/71/988693171.db2.gz LQUBVAMKZRDWBR-STQMWFEESA-N 2 1 225.380 1.153 20 0 BDADMP C[N@@H+](CCO)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246913094 988700038 /nfs/dbraw/zinc/70/00/38/988700038.db2.gz NBROYGWWGMRDPL-GFCCVEGCSA-N 2 1 226.364 1.365 20 0 BDADMP C1CC12CCC([N@@H+]1C[C@@H]3C[NH2+]C[C@H]31)CC2 ZINC001246922703 988743554 /nfs/dbraw/zinc/74/35/54/988743554.db2.gz WPGATKCQSRVMRF-CMPLNLGQSA-N 2 1 206.333 1.613 20 0 BDADMP C1CC12CCC([N@H+]1C[C@@H]3C[NH2+]C[C@H]31)CC2 ZINC001246922703 988743567 /nfs/dbraw/zinc/74/35/67/988743567.db2.gz WPGATKCQSRVMRF-CMPLNLGQSA-N 2 1 206.333 1.613 20 0 BDADMP C1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CS1 ZINC001246929177 988750924 /nfs/dbraw/zinc/75/09/24/988750924.db2.gz CGCQBNBQFKCYAG-TUAOUCFPSA-N 2 1 226.389 1.423 20 0 BDADMP C1[NH2+][C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924875 988753109 /nfs/dbraw/zinc/75/31/09/988753109.db2.gz NGQAZGBOQDMQQZ-OCCSQVGLSA-N 3 1 249.402 1.202 20 0 BDADMP C1N[C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924875 988753128 /nfs/dbraw/zinc/75/31/28/988753128.db2.gz NGQAZGBOQDMQQZ-OCCSQVGLSA-N 2 1 249.402 1.202 20 0 BDADMP C1N[C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924875 988753140 /nfs/dbraw/zinc/75/31/40/988753140.db2.gz NGQAZGBOQDMQQZ-OCCSQVGLSA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+][C@H]2CN(C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924875 988753152 /nfs/dbraw/zinc/75/31/52/988753152.db2.gz NGQAZGBOQDMQQZ-OCCSQVGLSA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12CC[C@@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246930997 988764576 /nfs/dbraw/zinc/76/45/76/988764576.db2.gz LRLQAWFRHWDLCD-HZSPNIEDSA-N 3 1 249.402 1.060 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1cccnc1 ZINC001246975387 988806435 /nfs/dbraw/zinc/80/64/35/988806435.db2.gz UCFRQBKKLHUEQN-YPMHNXCESA-N 2 1 221.348 1.682 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1cccnc1 ZINC001246975387 988806440 /nfs/dbraw/zinc/80/64/40/988806440.db2.gz UCFRQBKKLHUEQN-YPMHNXCESA-N 2 1 221.348 1.682 20 0 BDADMP CC1(C)CCC[C@@H]([N@@H+]2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001246992982 988826667 /nfs/dbraw/zinc/82/66/67/988826667.db2.gz YCONMVLGEDVFSJ-NEPJUHHUSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CCC[C@@H]([N@H+]2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001246992982 988826668 /nfs/dbraw/zinc/82/66/68/988826668.db2.gz YCONMVLGEDVFSJ-NEPJUHHUSA-N 2 1 238.375 1.615 20 0 BDADMP C1=C2NCC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@H]2CCC1 ZINC001246997170 988828584 /nfs/dbraw/zinc/82/85/84/988828584.db2.gz QYIJUYKPRCKSBD-XFMPKHEZSA-N 2 1 247.386 1.326 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC001246997257 988829540 /nfs/dbraw/zinc/82/95/40/988829540.db2.gz TVMHHUMKYQECOM-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)C[NH2+]1 ZINC001247000605 988832774 /nfs/dbraw/zinc/83/27/74/988832774.db2.gz FISMBYUVWVUDRV-VOAKCMCISA-N 2 1 236.359 1.428 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[C@H]3[NH3+])CC2)C[NH2+]1 ZINC001247000701 988833667 /nfs/dbraw/zinc/83/36/67/988833667.db2.gz HGVIPDZEVIHONZ-JHJVBQTASA-N 3 1 237.391 1.330 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[C@@H]3[NH3+])CC2)CC[NH2+]1 ZINC001247004834 988834622 /nfs/dbraw/zinc/83/46/22/988834622.db2.gz VPPHCTYEXXAGJQ-UPJWGTAASA-N 3 1 237.391 1.330 20 0 BDADMP COC1(C[NH2+]CCC[N@@H+](C)C(C)C)CCC1 ZINC001119298137 988896618 /nfs/dbraw/zinc/89/66/18/988896618.db2.gz YBTHZIUWACCAKA-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP Cc1cccnc1-c1noc([C@@H]([NH3+])CCC[NH3+])n1 ZINC001247509466 988905894 /nfs/dbraw/zinc/90/58/94/988905894.db2.gz VRWZAYMITBTALY-VIFPVBQESA-N 2 1 247.302 1.179 20 0 BDADMP c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc2c1CCC2 ZINC001325273173 989136390 /nfs/dbraw/zinc/13/63/90/989136390.db2.gz PSPBTXOOKGHUSE-FICVDOATSA-N 2 1 228.339 1.483 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC001325720199 989237642 /nfs/dbraw/zinc/23/76/42/989237642.db2.gz DRYGTFGOISBWDF-ZYHUDNBSSA-N 2 1 236.363 1.385 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1c[nH]nc1C ZINC001325743631 989246556 /nfs/dbraw/zinc/24/65/56/989246556.db2.gz QECFQTOGNGFXOF-BDAKNGLRSA-N 2 1 210.325 1.224 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cn(C)nc1C ZINC001325744905 989246590 /nfs/dbraw/zinc/24/65/90/989246590.db2.gz WPWJIBOHQHZWNW-VHSXEESVSA-N 2 1 224.352 1.377 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326202520 989418653 /nfs/dbraw/zinc/41/86/53/989418653.db2.gz RDDYKDGBRFIARC-ZDUSSCGKSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)C[C@@H](CNc1cc(N)[nH+]cn1)[NH+](C)C ZINC001326515158 989591885 /nfs/dbraw/zinc/59/18/85/989591885.db2.gz WAGKMUJVJYAGDT-JTQLQIEISA-N 2 1 237.351 1.447 20 0 BDADMP CC(C)C[C@H](CNc1cc(N)[nH+]cn1)[NH+](C)C ZINC001326515159 989593431 /nfs/dbraw/zinc/59/34/31/989593431.db2.gz WAGKMUJVJYAGDT-SNVBAGLBSA-N 2 1 237.351 1.447 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584775 989617613 /nfs/dbraw/zinc/61/76/13/989617613.db2.gz ZGWQVJNCBWGWDH-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC[C@H](O)C[NH2+][C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001120521372 989693600 /nfs/dbraw/zinc/69/36/00/989693600.db2.gz JPEYIHDJNGVGFF-SRVKXCTJSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)C[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2)C1 ZINC001120779210 989876430 /nfs/dbraw/zinc/87/64/30/989876430.db2.gz BMEBCXFYJXLRLT-AWEZNQCLSA-N 2 1 249.358 1.272 20 0 BDADMP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc[nH+]c(N)n1 ZINC001120816628 989901159 /nfs/dbraw/zinc/90/11/59/989901159.db2.gz ALUYBXGLTLQTIX-NSHDSACASA-N 2 1 249.362 1.369 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[nH+]c(N)n1 ZINC001120816628 989901167 /nfs/dbraw/zinc/90/11/67/989901167.db2.gz ALUYBXGLTLQTIX-NSHDSACASA-N 2 1 249.362 1.369 20 0 BDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC001122346051 990350155 /nfs/dbraw/zinc/35/01/55/990350155.db2.gz FSUYXBRELOQSQM-NSHDSACASA-N 2 1 247.342 1.426 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001258115220 991021851 /nfs/dbraw/zinc/02/18/51/991021851.db2.gz FPOFYFNPJGJRLX-SNVBAGLBSA-N 2 1 228.336 1.189 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001308961085 991236263 /nfs/dbraw/zinc/23/62/63/991236263.db2.gz OKUFWJLTSAOTIE-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001258348276 991278415 /nfs/dbraw/zinc/27/84/15/991278415.db2.gz KGHZXZQYZTWSTB-JTQLQIEISA-N 2 1 239.319 1.123 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC001559913330 991326721 /nfs/dbraw/zinc/32/67/21/991326721.db2.gz NHSRSXIPWPCBBL-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[C@@H](O)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC001559913330 991326734 /nfs/dbraw/zinc/32/67/34/991326734.db2.gz NHSRSXIPWPCBBL-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[C@@H](O)C[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC001559913330 991326745 /nfs/dbraw/zinc/32/67/45/991326745.db2.gz NHSRSXIPWPCBBL-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)OC ZINC001560055574 991372349 /nfs/dbraw/zinc/37/23/49/991372349.db2.gz FTVLPHDIQFHAAJ-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@H](C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)OC ZINC001560055574 991372361 /nfs/dbraw/zinc/37/23/61/991372361.db2.gz FTVLPHDIQFHAAJ-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@H](C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)OC ZINC001560055574 991372371 /nfs/dbraw/zinc/37/23/71/991372371.db2.gz FTVLPHDIQFHAAJ-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP COCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560186667 991402134 /nfs/dbraw/zinc/40/21/34/991402134.db2.gz KLGYBZXOFUJXGY-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001560186667 991402137 /nfs/dbraw/zinc/40/21/37/991402137.db2.gz KLGYBZXOFUJXGY-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001560186667 991402143 /nfs/dbraw/zinc/40/21/43/991402143.db2.gz KLGYBZXOFUJXGY-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H](CC1CC1)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001258453645 991402300 /nfs/dbraw/zinc/40/23/00/991402300.db2.gz DODFYMDSTDXSPO-SMDDNHRTSA-N 2 1 237.391 1.188 20 0 BDADMP CCOC(=O)CC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001258487263 991456140 /nfs/dbraw/zinc/45/61/40/991456140.db2.gz PURUYNWVAUJIOK-LBPRGKRZSA-N 2 1 244.379 1.602 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)nc3)[C@H]2C1 ZINC001560623161 991522956 /nfs/dbraw/zinc/52/29/56/991522956.db2.gz QQOPBBWEOTYTID-RWMBFGLXSA-N 2 1 249.333 1.651 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)nc3)[C@H]2C1 ZINC001560623161 991522965 /nfs/dbraw/zinc/52/29/65/991522965.db2.gz QQOPBBWEOTYTID-RWMBFGLXSA-N 2 1 249.333 1.651 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001258612775 991535791 /nfs/dbraw/zinc/53/57/91/991535791.db2.gz FYMRKYYJFLMOEI-HIFRSBDPSA-N 2 1 247.386 1.944 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C1 ZINC001560733291 991580090 /nfs/dbraw/zinc/58/00/90/991580090.db2.gz MSGUZYULKAUSMS-XUXIUFHCSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C1 ZINC001560733291 991580101 /nfs/dbraw/zinc/58/01/01/991580101.db2.gz MSGUZYULKAUSMS-XUXIUFHCSA-N 2 1 238.375 1.221 20 0 BDADMP CN1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC001560874259 991633344 /nfs/dbraw/zinc/63/33/44/991633344.db2.gz RSMUGRSGTKOKMW-ZDUSSCGKSA-N 2 1 239.407 1.545 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1COCCOC1 ZINC001561054901 991712251 /nfs/dbraw/zinc/71/22/51/991712251.db2.gz CVTXNIMRSGABHM-LBPRGKRZSA-N 2 1 244.379 1.112 20 0 BDADMP CCC[NH+]1CCC(N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001258777913 991745076 /nfs/dbraw/zinc/74/50/76/991745076.db2.gz NDOPVRPNLHLKLJ-AWEZNQCLSA-N 2 1 237.391 1.251 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001258817079 991832618 /nfs/dbraw/zinc/83/26/18/991832618.db2.gz MTSCGWYNYHAKLG-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@](C)(O)C1 ZINC001258910383 991900780 /nfs/dbraw/zinc/90/07/80/991900780.db2.gz QTHWLJBEOSPPCK-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001320576887 992246338 /nfs/dbraw/zinc/24/63/38/992246338.db2.gz LJFLLOWWFBPRGV-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)[C@H]1CC1(F)F ZINC001474757337 992529371 /nfs/dbraw/zinc/52/93/71/992529371.db2.gz UVXAZTYAPGTOLK-VSSNEEPJSA-N 2 1 244.329 1.960 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001262043339 992629263 /nfs/dbraw/zinc/62/92/63/992629263.db2.gz PCCWTQCUCTWRHL-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C1C[C@H]2C[C@H](N[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@H+]2C1 ZINC001574794681 992909421 /nfs/dbraw/zinc/90/94/21/992909421.db2.gz HRZQXTNTZMTROF-DGTMBMJNSA-N 2 1 235.375 1.096 20 0 BDADMP C([NH2+][C@@H]1CCCOC1)[C@@H]1CCCCC[NH2+]1 ZINC001574799958 992911019 /nfs/dbraw/zinc/91/10/19/992911019.db2.gz GGUOBKGFHSUTQC-NWDGAFQWSA-N 2 1 212.337 1.287 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001574801495 992915926 /nfs/dbraw/zinc/91/59/26/992915926.db2.gz QMYANWCGVQZENL-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP C([NH2+][C@]12CCC[C@H]1OCC2)[C@H]1CCC[NH2+]1 ZINC001574817011 992921467 /nfs/dbraw/zinc/92/14/67/992921467.db2.gz PJYZZKHWRGONQO-UTUOFQBUSA-N 2 1 210.321 1.040 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574817104 992922529 /nfs/dbraw/zinc/92/25/29/992922529.db2.gz RBEIZCVXEMCOCY-UTUOFQBUSA-N 2 1 226.389 1.281 20 0 BDADMP C=C/C=C/CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC001574887998 992935592 /nfs/dbraw/zinc/93/55/92/992935592.db2.gz FYEJSILWTXGMBG-CDAZIORVSA-N 2 1 204.264 1.691 20 0 BDADMP CC(C)(C[NH2+]C[C@@H]1CC[NH2+]1)c1ccccc1 ZINC001575334518 993013318 /nfs/dbraw/zinc/01/33/18/993013318.db2.gz MAODBWJHWAYHSH-ZDUSSCGKSA-N 2 1 218.344 1.916 20 0 BDADMP CC(C)(O)C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC001575380620 993033471 /nfs/dbraw/zinc/03/34/71/993033471.db2.gz XTSMRTQYUAZTDA-LBPRGKRZSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001575421755 993041686 /nfs/dbraw/zinc/04/16/86/993041686.db2.gz CNXISJXQUOFPAE-UONOGXRCSA-N 3 1 239.407 1.149 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001575472976 993049303 /nfs/dbraw/zinc/04/93/03/993049303.db2.gz ROGJPFGAHPOYFH-UPJWGTAASA-N 2 1 226.364 1.207 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575470864 993051121 /nfs/dbraw/zinc/05/11/21/993051121.db2.gz FDEQHNSQVXAZDM-BDAKNGLRSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001575555104 993071186 /nfs/dbraw/zinc/07/11/86/993071186.db2.gz PSPDFPXTYFOTLF-FRRDWIJNSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)COC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001575606431 993079272 /nfs/dbraw/zinc/07/92/72/993079272.db2.gz VRLGFPSHPXQYOR-NEPJUHHUSA-N 2 1 242.363 1.102 20 0 BDADMP CC(C)COC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001575606431 993079277 /nfs/dbraw/zinc/07/92/77/993079277.db2.gz VRLGFPSHPXQYOR-NEPJUHHUSA-N 2 1 242.363 1.102 20 0 BDADMP C[C@@H](CNC[C@@H]([NH3+])CC(F)F)[N@@H+](C)C1CC1 ZINC001576032348 993161636 /nfs/dbraw/zinc/16/16/36/993161636.db2.gz CHZQFMOGLKKPPG-IUCAKERBSA-N 2 1 235.322 1.041 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCn1cccn1 ZINC001576150265 993191701 /nfs/dbraw/zinc/19/17/01/993191701.db2.gz WTCOQQUAFPWRJE-LBPRGKRZSA-N 2 1 224.352 1.332 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(C)C[NH2+]CCO1)C1CCC1 ZINC001576246180 993232190 /nfs/dbraw/zinc/23/21/90/993232190.db2.gz UONMSVJRCXDPSR-PWSUYJOCSA-N 2 1 212.337 1.143 20 0 BDADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)O1 ZINC001576421244 993298825 /nfs/dbraw/zinc/29/88/25/993298825.db2.gz KLAXHTPDNPHZMD-QWRGUYRKSA-N 2 1 226.364 1.674 20 0 BDADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)O1 ZINC001576421246 993301722 /nfs/dbraw/zinc/30/17/22/993301722.db2.gz KLAXHTPDNPHZMD-WDEREUQCSA-N 2 1 226.364 1.674 20 0 BDADMP CC1(C)OC[C@@H](C[N@@H+]2CC[NH2+]CCC2(C)C)O1 ZINC001576494438 993321010 /nfs/dbraw/zinc/32/10/10/993321010.db2.gz BBHXQOXBDOLILW-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP CC1(C)OC[C@@H](C[N@H+]2CC[NH2+]CCC2(C)C)O1 ZINC001576494438 993321013 /nfs/dbraw/zinc/32/10/13/993321013.db2.gz BBHXQOXBDOLILW-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@]1(CCCO)CCC[N@H+]1CCC[NH2+]C1CC1 ZINC001576500950 993321306 /nfs/dbraw/zinc/32/13/06/993321306.db2.gz ONFDWGTZUIVRSU-CQSZACIVSA-N 2 1 240.391 1.756 20 0 BDADMP C[C@@]1(C[N@@H+]2CCC[C@H]([NH3+])C2)CCCCO1 ZINC001576503650 993324668 /nfs/dbraw/zinc/32/46/68/993324668.db2.gz UNDLASACFVSSAU-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H]([NH3+])C2)CCCCO1 ZINC001576503650 993324673 /nfs/dbraw/zinc/32/46/73/993324673.db2.gz UNDLASACFVSSAU-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)CCC[NH2+]C1 ZINC001576503746 993325876 /nfs/dbraw/zinc/32/58/76/993325876.db2.gz XGDJALDFHYETRI-TUAOUCFPSA-N 2 1 244.329 1.963 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001576597241 993360940 /nfs/dbraw/zinc/36/09/40/993360940.db2.gz DTTBVALYMGTQCL-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001576596854 993362039 /nfs/dbraw/zinc/36/20/39/993362039.db2.gz AVIRILROUCREFQ-YVECIDJPSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CC[N@@H+]1C ZINC001576623969 993372544 /nfs/dbraw/zinc/37/25/44/993372544.db2.gz NJUHNTBQPKXTSA-TWKJHMIASA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CC[N@H+]1C ZINC001576623969 993372550 /nfs/dbraw/zinc/37/25/50/993372550.db2.gz NJUHNTBQPKXTSA-TWKJHMIASA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001576623384 993373101 /nfs/dbraw/zinc/37/31/01/993373101.db2.gz KQBDHXUECULBAZ-JCIQBVFBSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)O1 ZINC001576624002 993374271 /nfs/dbraw/zinc/37/42/71/993374271.db2.gz OHPGQPVGAYPZDV-RMPHRYRLSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC2(C)C)CS1 ZINC001576666290 993387107 /nfs/dbraw/zinc/38/71/07/993387107.db2.gz KSJOKPULFQYUNU-MXWKQRLJSA-N 2 1 228.405 1.858 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000381367981 993388450 /nfs/dbraw/zinc/38/84/50/993388450.db2.gz HKRALZFNNIUCPQ-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1COC(C)(C)O1 ZINC001576749616 993415532 /nfs/dbraw/zinc/41/55/32/993415532.db2.gz SPOMAIZXFOWODM-KKOKHZNYSA-N 2 1 242.363 1.114 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCCCO2)CC[C@@H]1[NH3+] ZINC001576801699 993426516 /nfs/dbraw/zinc/42/65/16/993426516.db2.gz UCVJAIKDISDKTQ-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCCCO2)CC[C@H]1[NH3+] ZINC001576801700 993426902 /nfs/dbraw/zinc/42/69/02/993426902.db2.gz UCVJAIKDISDKTQ-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCC1=O ZINC001576807228 993430125 /nfs/dbraw/zinc/43/01/25/993430125.db2.gz OIVUIRIFILALMQ-OUAUKWLOSA-N 2 1 210.321 1.025 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001576849068 993431225 /nfs/dbraw/zinc/43/12/25/993431225.db2.gz BCXWWMUHIIJHLE-AGIUHOORSA-N 2 1 227.396 1.303 20 0 BDADMP C[C@H]1OCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@H]1C ZINC001576903138 993450497 /nfs/dbraw/zinc/45/04/97/993450497.db2.gz GWLLUBLTZDSTMF-WHOHXGKFSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576903137 993451003 /nfs/dbraw/zinc/45/10/03/993451003.db2.gz GWLLUBLTZDSTMF-NOOOWODRSA-N 2 1 212.337 1.223 20 0 BDADMP CC[C@@](C)(C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)OC ZINC001576949919 993465446 /nfs/dbraw/zinc/46/54/46/993465446.db2.gz VYAAFNREJQYHDM-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001576966427 993466671 /nfs/dbraw/zinc/46/66/71/993466671.db2.gz IGWARFMTKWBBHM-NNYUYHANSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001576966427 993466675 /nfs/dbraw/zinc/46/66/75/993466675.db2.gz IGWARFMTKWBBHM-NNYUYHANSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001576967932 993467225 /nfs/dbraw/zinc/46/72/25/993467225.db2.gz YLOOKAMIQVWPAQ-SDDRHHMPSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001576967932 993467232 /nfs/dbraw/zinc/46/72/32/993467232.db2.gz YLOOKAMIQVWPAQ-SDDRHHMPSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC001576967736 993468167 /nfs/dbraw/zinc/46/81/67/993468167.db2.gz WTICSYKAABKKBH-QJPTWQEYSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)OC ZINC001576960945 993471287 /nfs/dbraw/zinc/47/12/87/993471287.db2.gz IUZQMTYZZHZTEW-XQQFMLRXSA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576971198 993475379 /nfs/dbraw/zinc/47/53/79/993475379.db2.gz OEXGFSMGWBVTRC-GMKTYKIGSA-N 2 1 226.364 1.125 20 0 BDADMP CCC(CC)(C[NH3+])C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC001577050815 993490741 /nfs/dbraw/zinc/49/07/41/993490741.db2.gz GISWXNQKRCZKOJ-LLVKDONJSA-N 2 1 243.395 1.065 20 0 BDADMP CCC(CC)(C[NH3+])C[NH+]1CC(C)(C(=O)OC)C1 ZINC001577050812 993491326 /nfs/dbraw/zinc/49/13/26/993491326.db2.gz GHCSILKHGRIBAK-UHFFFAOYSA-N 2 1 242.363 1.246 20 0 BDADMP CCC(CC)[N@@H+](C[C@@H](O)CC[NH3+])C1CC1 ZINC001577069548 993491962 /nfs/dbraw/zinc/49/19/62/993491962.db2.gz FYUQOIQCUYLCPV-LBPRGKRZSA-N 2 1 214.353 1.349 20 0 BDADMP CC[C@@H]([NH2+]CCC1C[NH2+]C1)c1noc(C)n1 ZINC001577175521 993533410 /nfs/dbraw/zinc/53/34/10/993533410.db2.gz ATMHBPOTZLQOHE-SNVBAGLBSA-N 2 1 224.308 1.028 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000384000676 993537101 /nfs/dbraw/zinc/53/71/01/993537101.db2.gz OLLAPCJVVJXYOE-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CO1 ZINC001577240427 993554591 /nfs/dbraw/zinc/55/45/91/993554591.db2.gz GUZRAXWLQGCBOL-NOOOWODRSA-N 2 1 212.337 1.284 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC001577404312 993647393 /nfs/dbraw/zinc/64/73/93/993647393.db2.gz SKZIFWSSHRUYEB-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC001577404312 993647401 /nfs/dbraw/zinc/64/74/01/993647401.db2.gz SKZIFWSSHRUYEB-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001577510247 993676587 /nfs/dbraw/zinc/67/65/87/993676587.db2.gz HKULHHNMDDQFAJ-GRYCIOLGSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@H+]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC001577533250 993680231 /nfs/dbraw/zinc/68/02/31/993680231.db2.gz BQUGCWJXLSYCJP-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCCC[NH3+])C1 ZINC001577655125 993707431 /nfs/dbraw/zinc/70/74/31/993707431.db2.gz RPBCZICRVNDXTP-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP CC[NH+](CC)C1CC[NH+](C[C@H](C)O)CC1 ZINC000389658904 993755466 /nfs/dbraw/zinc/75/54/66/993755466.db2.gz DHBJBQCZZWBXNV-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CC[NH2+]1 ZINC000700795149 993850812 /nfs/dbraw/zinc/85/08/12/993850812.db2.gz XQAOFESDTJJBEX-CABZTGNLSA-N 2 1 223.295 1.451 20 0 BDADMP CC(C)O[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000701658407 993897299 /nfs/dbraw/zinc/89/72/99/993897299.db2.gz RUMKHUJNUQGUOZ-LBPRGKRZSA-N 2 1 212.337 1.238 20 0 BDADMP CCCO[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701663358 993901160 /nfs/dbraw/zinc/90/11/60/993901160.db2.gz MWEYIHZUGWXTFW-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000393211558 993916124 /nfs/dbraw/zinc/91/61/24/993916124.db2.gz MDSVEXCVNHBBFE-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](F)C2)CC[NH2+]1 ZINC000701898400 993938233 /nfs/dbraw/zinc/93/82/33/993938233.db2.gz ZTXFEWLAVMBTLS-GMTAPVOTSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](F)C2)CC[NH2+]1 ZINC000701898400 993938240 /nfs/dbraw/zinc/93/82/40/993938240.db2.gz ZTXFEWLAVMBTLS-GMTAPVOTSA-N 2 1 200.301 1.561 20 0 BDADMP CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265956405 993993571 /nfs/dbraw/zinc/99/35/71/993993571.db2.gz LVAVMWLLTZFFRO-GFCCVEGCSA-N 2 1 243.395 1.031 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000393994232 994028452 /nfs/dbraw/zinc/02/84/52/994028452.db2.gz NNWKCMXTUIBVJX-NSHDSACASA-N 2 1 214.353 1.077 20 0 BDADMP CCOC(C)(C)C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000702662603 994032845 /nfs/dbraw/zinc/03/28/45/994032845.db2.gz AHRBWLFWEHAYNV-NSHDSACASA-N 2 1 200.326 1.225 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@](C)([NH3+])C1 ZINC000702662603 994032850 /nfs/dbraw/zinc/03/28/50/994032850.db2.gz AHRBWLFWEHAYNV-NSHDSACASA-N 2 1 200.326 1.225 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000704891930 994051993 /nfs/dbraw/zinc/05/19/93/994051993.db2.gz SULZTABVDUFCDK-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000704891930 994051995 /nfs/dbraw/zinc/05/19/95/994051995.db2.gz SULZTABVDUFCDK-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CC[N@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC001332422560 994087103 /nfs/dbraw/zinc/08/71/03/994087103.db2.gz XIKDEMKVQWDCFV-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCSC1 ZINC000822127072 994416066 /nfs/dbraw/zinc/41/60/66/994416066.db2.gz FFAKEAJWNZEFFH-NEPJUHHUSA-N 2 1 228.405 1.956 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc[nH]c(=O)c1 ZINC001333764861 994518801 /nfs/dbraw/zinc/51/88/01/994518801.db2.gz PCPJCYIRHUUGKM-WCQYABFASA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc[nH]c(=O)c1 ZINC001333764861 994518815 /nfs/dbraw/zinc/51/88/15/994518815.db2.gz PCPJCYIRHUUGKM-WCQYABFASA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC001333764861 994518829 /nfs/dbraw/zinc/51/88/29/994518829.db2.gz PCPJCYIRHUUGKM-WCQYABFASA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC001333764861 994518842 /nfs/dbraw/zinc/51/88/42/994518842.db2.gz PCPJCYIRHUUGKM-WCQYABFASA-N 2 1 249.358 1.559 20 0 BDADMP CCC(CC)(CC)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000357957507 168314654 /nfs/dbraw/zinc/31/46/54/168314654.db2.gz IGQFQWKXQYHFPN-GFCCVEGCSA-N 2 1 228.380 1.862 20 0 BDADMP CCC(CC)(CC)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000357957507 168314657 /nfs/dbraw/zinc/31/46/57/168314657.db2.gz IGQFQWKXQYHFPN-GFCCVEGCSA-N 2 1 228.380 1.862 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CC[NH2+]C2)CCCO1 ZINC000389863042 398143250 /nfs/dbraw/zinc/14/32/50/398143250.db2.gz FMSRPPRUDUTAGS-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)CCO ZINC000649869904 398157013 /nfs/dbraw/zinc/15/70/13/398157013.db2.gz PKIRLPNZNMYQDC-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)CCO ZINC000649869904 398157015 /nfs/dbraw/zinc/15/70/15/398157015.db2.gz PKIRLPNZNMYQDC-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP OCC1([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415088034 398157186 /nfs/dbraw/zinc/15/71/86/398157186.db2.gz LMNWWESHGPHRNB-UONOGXRCSA-N 2 1 246.354 1.594 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1COCCO1 ZINC000649340474 398157800 /nfs/dbraw/zinc/15/78/00/398157800.db2.gz MFYPRCPWVDTLIE-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1COCCO1 ZINC000649340474 398157805 /nfs/dbraw/zinc/15/78/05/398157805.db2.gz MFYPRCPWVDTLIE-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1C ZINC000396714366 398167055 /nfs/dbraw/zinc/16/70/55/398167055.db2.gz QPOQORHKYYHOGG-VOAKCMCISA-N 2 1 225.380 1.199 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342083904 398188163 /nfs/dbraw/zinc/18/81/63/398188163.db2.gz LCIKNKAGNJSAML-NWANDNLSSA-N 2 1 245.370 1.828 20 0 BDADMP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(C)[nH+]1 ZINC000040747361 178096786 /nfs/dbraw/zinc/09/67/86/178096786.db2.gz IAVGGUDUSRBGCX-FUNVUKJBSA-N 2 1 246.358 1.813 20 0 BDADMP Cc1cc(N(CCC[NH3+])C(C)C)nc(C)[nH+]1 ZINC000037756766 178102788 /nfs/dbraw/zinc/10/27/88/178102788.db2.gz ORHIUSWBMYVMIR-UHFFFAOYSA-N 2 1 222.336 1.657 20 0 BDADMP Cc1cc(N2CCC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000053663186 178114473 /nfs/dbraw/zinc/11/44/73/178114473.db2.gz YERDKUJRTLQARQ-SNVBAGLBSA-N 2 1 206.293 1.021 20 0 BDADMP C[NH2+]C1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000573091650 398209474 /nfs/dbraw/zinc/20/94/74/398209474.db2.gz FYLWHNPGFXCHKH-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP c1cncc(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000649408916 398208466 /nfs/dbraw/zinc/20/84/66/398208466.db2.gz IROIRNQFIWLQOZ-UHFFFAOYSA-N 2 1 245.370 1.841 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000386750723 398219221 /nfs/dbraw/zinc/21/92/21/398219221.db2.gz GLZVNXHCCAOQHT-QWHCGFSZSA-N 2 1 236.363 1.169 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H](C)COC ZINC000163330614 538928096 /nfs/dbraw/zinc/92/80/96/538928096.db2.gz JDRARRRHJBWSNR-NEPJUHHUSA-N 2 1 216.369 1.589 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000649413765 398212206 /nfs/dbraw/zinc/21/22/06/398212206.db2.gz CIFQNMYLGDLRMB-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP c1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)nc1 ZINC000649411668 398213155 /nfs/dbraw/zinc/21/31/55/398213155.db2.gz PWIZTKUDHSGLQK-GXTWGEPZSA-N 2 1 231.343 1.828 20 0 BDADMP Cc1cc(N[C@@H](C)C[NH+](C)C)nc(C)[nH+]1 ZINC000130632826 178179144 /nfs/dbraw/zinc/17/91/44/178179144.db2.gz WPQILXHVSZFXDF-VIFPVBQESA-N 2 1 208.309 1.455 20 0 BDADMP CCC(CC)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336673922 168352284 /nfs/dbraw/zinc/35/22/84/168352284.db2.gz GWBYVMDWDFSQPB-CHWSQXEVSA-N 2 1 210.365 1.964 20 0 BDADMP CCC(CC)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000361798955 168359758 /nfs/dbraw/zinc/35/97/58/168359758.db2.gz NXPNBVSWTLSWLX-UHFFFAOYSA-N 2 1 242.407 1.859 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000576478934 365608193 /nfs/dbraw/zinc/60/81/93/365608193.db2.gz HRRNOARGODNPGL-IJLUTSLNSA-N 2 1 234.347 1.647 20 0 BDADMP C[NH2+]CCC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000390773093 398245983 /nfs/dbraw/zinc/24/59/83/398245983.db2.gz XVMSGHKYBCTYRF-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP C[NH2+]CCC[N@H+]1CC(C)(C)OCC1(C)C ZINC000390773093 398245985 /nfs/dbraw/zinc/24/59/85/398245985.db2.gz XVMSGHKYBCTYRF-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP CCc1ncc(C[NH2+]C[C@@H](C)C[NH+](C)C)s1 ZINC000381512904 398253972 /nfs/dbraw/zinc/25/39/72/398253972.db2.gz ROSSPHNMLNJBCT-SNVBAGLBSA-N 2 1 241.404 1.993 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000381337599 398252641 /nfs/dbraw/zinc/25/26/41/398252641.db2.gz AUEJXUFGEUESIB-IHRRRGAJSA-N 2 1 242.407 1.979 20 0 BDADMP CC[C@@](C)(C[NH2+]C1CC[NH+](C)CC1)OC ZINC000323075913 259313518 /nfs/dbraw/zinc/31/35/18/259313518.db2.gz XSCZSBAWIWMTFB-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647186586 398269728 /nfs/dbraw/zinc/26/97/28/398269728.db2.gz PWWZRYABJKVMMJ-AAEUAGOBSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1nnsc1C[NH2+]CCn1cc[nH+]c1C ZINC000381648507 398268510 /nfs/dbraw/zinc/26/85/10/398268510.db2.gz RAQSQDPSLLBABS-UHFFFAOYSA-N 2 1 237.332 1.141 20 0 BDADMP NC1(C[NH2+]C2CCC([NH3+])CC2)CCCCCC1 ZINC000334838537 398273530 /nfs/dbraw/zinc/27/35/30/398273530.db2.gz WMGHWZQBTQHZKX-UHFFFAOYSA-N 2 1 239.407 1.898 20 0 BDADMP COCC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166568040 361852914 /nfs/dbraw/zinc/85/29/14/361852914.db2.gz SRCBFKQHQDVCIW-GFCCVEGCSA-N 2 1 216.369 1.731 20 0 BDADMP CN1CCC([N@@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000002639104 342726137 /nfs/dbraw/zinc/72/61/37/342726137.db2.gz QBTMRQOMPQNUFW-OAHLLOKOSA-N 2 1 248.370 1.746 20 0 BDADMP CN(C[C@@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000002639104 342726138 /nfs/dbraw/zinc/72/61/38/342726138.db2.gz QBTMRQOMPQNUFW-OAHLLOKOSA-N 2 1 248.370 1.746 20 0 BDADMP C[N@H+]1CCCC[C@H](CNCc2cccnc2)C1 ZINC000623654610 398279857 /nfs/dbraw/zinc/27/98/57/398279857.db2.gz DMUXUBGUZYENGO-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000623654610 398279859 /nfs/dbraw/zinc/27/98/59/398279859.db2.gz DMUXUBGUZYENGO-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000623654610 398279861 /nfs/dbraw/zinc/27/98/61/398279861.db2.gz DMUXUBGUZYENGO-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCC12CCCC2)C1CC1 ZINC000649485692 398283086 /nfs/dbraw/zinc/28/30/86/398283086.db2.gz UFMKRLFHDDXFIR-ZDUSSCGKSA-N 2 1 238.375 1.460 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC12CCCC2)C1CC1 ZINC000649485692 398283089 /nfs/dbraw/zinc/28/30/89/398283089.db2.gz UFMKRLFHDDXFIR-ZDUSSCGKSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC12CCCC2)C1CC1 ZINC000649485692 398283092 /nfs/dbraw/zinc/28/30/92/398283092.db2.gz UFMKRLFHDDXFIR-ZDUSSCGKSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCC12CCCC2)C1CC1 ZINC000649485692 398283094 /nfs/dbraw/zinc/28/30/94/398283094.db2.gz UFMKRLFHDDXFIR-ZDUSSCGKSA-N 2 1 238.375 1.460 20 0 BDADMP Fc1cccc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000348749025 136238028 /nfs/dbraw/zinc/23/80/28/136238028.db2.gz MKUWIDSEWWCMFE-OKILXGFUSA-N 2 1 248.345 1.910 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000335634106 136241922 /nfs/dbraw/zinc/24/19/22/136241922.db2.gz MFWBZADRNJSCRE-HUUCEWRRSA-N 2 1 245.370 1.903 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000392271921 398316915 /nfs/dbraw/zinc/31/69/15/398316915.db2.gz VDOMDHGBYBTKDO-CMPLNLGQSA-N 2 1 226.389 1.732 20 0 BDADMP C[C@H]([NH2+]CCn1cccn1)[C@H]1CCCC[NH2+]1 ZINC000385988111 342893256 /nfs/dbraw/zinc/89/32/56/342893256.db2.gz ITSFKLXCSHSDQU-NWDGAFQWSA-N 2 1 222.336 1.003 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386046902 342905288 /nfs/dbraw/zinc/90/52/88/342905288.db2.gz UOBKQQRAOVDZPV-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247945192 398337850 /nfs/dbraw/zinc/33/78/50/398337850.db2.gz HGFZWJYZCSMVLW-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1ncsc1C[NH2+]CCc1c[nH+]cn1C ZINC000401748475 342937267 /nfs/dbraw/zinc/93/72/67/342937267.db2.gz LVDVGKZLOAFTLE-UHFFFAOYSA-N 2 1 236.344 1.517 20 0 BDADMP CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000234833100 342957785 /nfs/dbraw/zinc/95/77/85/342957785.db2.gz MGXIMZNCKNZVES-HNNXBMFYSA-N 2 1 246.354 1.553 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353533244 187209594 /nfs/dbraw/zinc/20/95/94/187209594.db2.gz XVVNQXDNVQUUJE-YIYPIFLZSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@H](F)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000351850985 136257801 /nfs/dbraw/zinc/25/78/01/136257801.db2.gz IIWPAOLFLJZYSP-JTQLQIEISA-N 2 1 202.317 1.761 20 0 BDADMP CC[C@H]1C[N@H+](CCNc2cc[nH+]cc2C)CCO1 ZINC000358916868 187215200 /nfs/dbraw/zinc/21/52/00/187215200.db2.gz UCCQWUVEADOKCH-ZDUSSCGKSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@H]1C[N@@H+](CCNc2cc[nH+]cc2C)CCO1 ZINC000358916868 187215202 /nfs/dbraw/zinc/21/52/02/187215202.db2.gz UCCQWUVEADOKCH-ZDUSSCGKSA-N 2 1 249.358 1.335 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000357022657 187213542 /nfs/dbraw/zinc/21/35/42/187213542.db2.gz BHXUQRATFVKYQR-CQSZACIVSA-N 2 1 234.343 1.799 20 0 BDADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000234883024 259340026 /nfs/dbraw/zinc/34/00/26/259340026.db2.gz DULSQTVJHMXLLP-VHSXEESVSA-N 2 1 208.305 1.693 20 0 BDADMP CCCC[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000308880123 259341031 /nfs/dbraw/zinc/34/10/31/259341031.db2.gz VKPJZZHREDGAKS-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP CCCC[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000308880123 259341033 /nfs/dbraw/zinc/34/10/33/259341033.db2.gz VKPJZZHREDGAKS-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP CCCC[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000308880123 259341034 /nfs/dbraw/zinc/34/10/34/259341034.db2.gz VKPJZZHREDGAKS-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP CCCC[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000308880123 259341036 /nfs/dbraw/zinc/34/10/36/259341036.db2.gz VKPJZZHREDGAKS-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP C1C[C@@H]([N@H+]2C[C@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CO1 ZINC000371464047 187222256 /nfs/dbraw/zinc/22/22/56/187222256.db2.gz NXWCKYBZTHVKSX-MQYQWHSLSA-N 2 1 236.359 1.191 20 0 BDADMP C1C[C@@H]([NH+]2C[C@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CO1 ZINC000371464047 187222258 /nfs/dbraw/zinc/22/22/58/187222258.db2.gz NXWCKYBZTHVKSX-MQYQWHSLSA-N 2 1 236.359 1.191 20 0 BDADMP C1C[C@@H]([NH+]2C[C@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CO1 ZINC000371464047 187222259 /nfs/dbraw/zinc/22/22/59/187222259.db2.gz NXWCKYBZTHVKSX-MQYQWHSLSA-N 2 1 236.359 1.191 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000129849654 187232868 /nfs/dbraw/zinc/23/28/68/187232868.db2.gz AHYFMDAPDOFNMT-ZDUSSCGKSA-N 3 1 239.407 1.591 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337853 529689384 /nfs/dbraw/zinc/68/93/84/529689384.db2.gz GNCBGPRXOGLXKM-AVGNSLFASA-N 2 1 227.396 1.447 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccncc1 ZINC000576976079 365739813 /nfs/dbraw/zinc/73/98/13/365739813.db2.gz HVIDXYOYZZGYMQ-NSHDSACASA-N 2 1 207.321 1.732 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000569697598 323037392 /nfs/dbraw/zinc/03/73/92/323037392.db2.gz DQYYQRDJSRMIHS-ZDUSSCGKSA-N 2 1 219.332 1.828 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000569697598 323037393 /nfs/dbraw/zinc/03/73/93/323037393.db2.gz DQYYQRDJSRMIHS-ZDUSSCGKSA-N 2 1 219.332 1.828 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000379926988 365738570 /nfs/dbraw/zinc/73/85/70/365738570.db2.gz LYHVJXIHQSGUPG-LBPRGKRZSA-N 2 1 207.321 1.741 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(O)c1 ZINC000168849406 343210638 /nfs/dbraw/zinc/21/06/38/343210638.db2.gz MODTZMYBIHXRTG-ZYHUDNBSSA-N 2 1 220.316 1.704 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(O)c1 ZINC000168849406 343210639 /nfs/dbraw/zinc/21/06/39/343210639.db2.gz MODTZMYBIHXRTG-ZYHUDNBSSA-N 2 1 220.316 1.704 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000634687819 343244924 /nfs/dbraw/zinc/24/49/24/343244924.db2.gz AKEORSITJWIDFK-LPWJVIDDSA-N 2 1 224.348 1.286 20 0 BDADMP Cn1cncc1CCC[N@H+]1CCC[C@@]1(C)CO ZINC000569822232 323041879 /nfs/dbraw/zinc/04/18/79/323041879.db2.gz KKDVEADGYJRVIU-ZDUSSCGKSA-N 2 1 237.347 1.200 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOCC(F)F ZINC000348750180 136296970 /nfs/dbraw/zinc/29/69/70/136296970.db2.gz OEJCQMPBMJKUHL-JTQLQIEISA-N 2 1 238.322 1.573 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000348757023 136297556 /nfs/dbraw/zinc/29/75/56/136297556.db2.gz SLPZSTJSJRYDPJ-WCQYABFASA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000348757023 136297557 /nfs/dbraw/zinc/29/75/57/136297557.db2.gz SLPZSTJSJRYDPJ-WCQYABFASA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000348757023 136297558 /nfs/dbraw/zinc/29/75/58/136297558.db2.gz SLPZSTJSJRYDPJ-WCQYABFASA-N 3 1 236.363 1.251 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000037976741 343363041 /nfs/dbraw/zinc/36/30/41/343363041.db2.gz ZVWPXCJTOWQLET-UHFFFAOYSA-N 2 1 234.343 1.966 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000335636113 136300594 /nfs/dbraw/zinc/30/05/94/136300594.db2.gz DFMFNMINTOGLIK-GXFFZTMASA-N 2 1 219.332 1.620 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335636499 136300943 /nfs/dbraw/zinc/30/09/43/136300943.db2.gz MBSJGRGYVAYKSC-IKWCTNDRSA-N 3 1 225.380 1.092 20 0 BDADMP CC[C@@H](COC)[NH2+]C1CC[NH+](C)CC1 ZINC000070623827 343335770 /nfs/dbraw/zinc/33/57/70/343335770.db2.gz HEDPLXARGHDDBL-JTQLQIEISA-N 2 1 200.326 1.095 20 0 BDADMP CC[C@@H](COC)[NH2+]C1CC[NH+](CC)CC1 ZINC000070624201 343336049 /nfs/dbraw/zinc/33/60/49/343336049.db2.gz DXSOVZCNUPPPKL-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP Cc1ccc(C[NH2+]C2CCN(C)CC2)o1 ZINC000037248623 343340882 /nfs/dbraw/zinc/34/08/82/343340882.db2.gz BINQDABAQIMAPE-UHFFFAOYSA-N 2 1 208.305 1.772 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335637923 136302812 /nfs/dbraw/zinc/30/28/12/136302812.db2.gz YSSXQUBMHDQEQO-CHWSQXEVSA-N 2 1 248.374 1.242 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000348914896 136307692 /nfs/dbraw/zinc/30/76/92/136307692.db2.gz ANRBGZHXSDFRRB-MJBXVCDLSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@]1(O)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335643024 136308857 /nfs/dbraw/zinc/30/88/57/136308857.db2.gz YZLLCLIVVUXWNF-BJHJDKERSA-N 2 1 224.348 1.116 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166216358 136309509 /nfs/dbraw/zinc/30/95/09/136309509.db2.gz FSUJYXLUYMHCNL-OCCSQVGLSA-N 2 1 218.344 1.898 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000569988858 323046636 /nfs/dbraw/zinc/04/66/36/323046636.db2.gz XEQAKTCJDFIHGE-MCIONIFRSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349335242 136342341 /nfs/dbraw/zinc/34/23/41/136342341.db2.gz UIMYUCNJISLLNC-ZIAGYGMSSA-N 2 1 239.407 1.212 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000082544837 343447065 /nfs/dbraw/zinc/44/70/65/343447065.db2.gz RRIWELIHBCUNAK-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000335853774 136355670 /nfs/dbraw/zinc/35/56/70/136355670.db2.gz HBIBBQWUCYOYDF-TZMCWYRMSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000335853774 136355671 /nfs/dbraw/zinc/35/56/71/136355671.db2.gz HBIBBQWUCYOYDF-TZMCWYRMSA-N 2 1 238.375 1.365 20 0 BDADMP CCC(O)(CC)C[NH2+]C1CC[NH+](C)CC1 ZINC000083463501 343486436 /nfs/dbraw/zinc/48/64/36/343486436.db2.gz RETLYIJISGXZDP-UHFFFAOYSA-N 2 1 214.353 1.221 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000083528209 343488799 /nfs/dbraw/zinc/48/87/99/343488799.db2.gz NGDSWPLDJVDPEL-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000310503787 343520640 /nfs/dbraw/zinc/52/06/40/343520640.db2.gz NFKNWHREEGRAGH-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000310503787 343520641 /nfs/dbraw/zinc/52/06/41/343520641.db2.gz NFKNWHREEGRAGH-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1CC1 ZINC000310503787 343520642 /nfs/dbraw/zinc/52/06/42/343520642.db2.gz NFKNWHREEGRAGH-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1CC1 ZINC000310503787 343520643 /nfs/dbraw/zinc/52/06/43/343520643.db2.gz NFKNWHREEGRAGH-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CCOCC1 ZINC000568165419 343557735 /nfs/dbraw/zinc/55/77/35/343557735.db2.gz MWLYPPNKFZCXLZ-UHFFFAOYSA-N 2 1 237.347 1.464 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CCOCC1 ZINC000568165419 343557737 /nfs/dbraw/zinc/55/77/37/343557737.db2.gz MWLYPPNKFZCXLZ-UHFFFAOYSA-N 2 1 237.347 1.464 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)NCc1ccc(C[NH3+])cc1 ZINC000518770278 259366009 /nfs/dbraw/zinc/36/60/09/259366009.db2.gz OZUDMPIOVUDNLB-SWLSCSKDSA-N 2 1 247.386 1.766 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000187879637 259370307 /nfs/dbraw/zinc/37/03/07/259370307.db2.gz QKULVUDYRQDTFB-NDBYEHHHSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000187879637 259370308 /nfs/dbraw/zinc/37/03/08/259370308.db2.gz QKULVUDYRQDTFB-NDBYEHHHSA-N 2 1 226.364 1.362 20 0 BDADMP CN1CC[N@@H+](CCC2CC[NH2+]CC2)C(C)(C)C1 ZINC000621776469 343898818 /nfs/dbraw/zinc/89/88/18/343898818.db2.gz LYTDSZSTUMKFLF-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1(C)COC1 ZINC000625791560 344075331 /nfs/dbraw/zinc/07/53/31/344075331.db2.gz NHRGLEWWHGYBLR-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1(C)COC1 ZINC000625791560 344075332 /nfs/dbraw/zinc/07/53/32/344075332.db2.gz NHRGLEWWHGYBLR-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1(C)COC1 ZINC000625791560 344075333 /nfs/dbraw/zinc/07/53/33/344075333.db2.gz NHRGLEWWHGYBLR-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1CCC1 ZINC000133062658 187286848 /nfs/dbraw/zinc/28/68/48/187286848.db2.gz ZKPRMNYNWAFSMX-JTQLQIEISA-N 2 1 207.321 1.970 20 0 BDADMP COCCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000131058398 344226987 /nfs/dbraw/zinc/22/69/87/344226987.db2.gz BKFICJFTAITANF-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@@H](CO)C2)CC[NH2+]1 ZINC000622004396 344182097 /nfs/dbraw/zinc/18/20/97/344182097.db2.gz OBCVKMZFSRDONT-REWJHTLYSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000132131692 344279772 /nfs/dbraw/zinc/27/97/72/344279772.db2.gz PFZHDVRYURFJLX-OLZOCXBDSA-N 2 1 241.423 1.504 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000132131692 344279773 /nfs/dbraw/zinc/27/97/73/344279773.db2.gz PFZHDVRYURFJLX-OLZOCXBDSA-N 3 1 241.423 1.504 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000132131692 344279774 /nfs/dbraw/zinc/27/97/74/344279774.db2.gz PFZHDVRYURFJLX-OLZOCXBDSA-N 3 1 241.423 1.504 20 0 BDADMP CC[N@H+](C)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000091461451 344280981 /nfs/dbraw/zinc/28/09/81/344280981.db2.gz CYWNNJIFMVWYTB-UHFFFAOYSA-N 2 1 249.362 1.662 20 0 BDADMP CC[N@@H+](C)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000091461451 344280983 /nfs/dbraw/zinc/28/09/83/344280983.db2.gz CYWNNJIFMVWYTB-UHFFFAOYSA-N 2 1 249.362 1.662 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000093214223 344311816 /nfs/dbraw/zinc/31/18/16/344311816.db2.gz NYXRRGMRAVJIGN-WCQYABFASA-N 2 1 237.391 1.473 20 0 BDADMP CC(C)OCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133301882 344316774 /nfs/dbraw/zinc/31/67/74/344316774.db2.gz LVCTYKMDRVHYIC-LBPRGKRZSA-N 2 1 216.369 1.717 20 0 BDADMP COC(=O)CCCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000600703028 344359681 /nfs/dbraw/zinc/35/96/81/344359681.db2.gz JSEKEOULVAANSZ-GFCCVEGCSA-N 2 1 230.352 1.293 20 0 BDADMP COC(=O)CCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000600712293 344361700 /nfs/dbraw/zinc/36/17/00/344361700.db2.gz WIEBZHZTBBTWHT-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000600712293 344361702 /nfs/dbraw/zinc/36/17/02/344361702.db2.gz WIEBZHZTBBTWHT-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000092629232 344299693 /nfs/dbraw/zinc/29/96/93/344299693.db2.gz KKNUVNWJHGQVAP-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCC[N@@H+]1C ZINC000092629232 344299695 /nfs/dbraw/zinc/29/96/95/344299695.db2.gz KKNUVNWJHGQVAP-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCC[N@H+]1C ZINC000092629232 344299698 /nfs/dbraw/zinc/29/96/98/344299698.db2.gz KKNUVNWJHGQVAP-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000600775388 344370851 /nfs/dbraw/zinc/37/08/51/344370851.db2.gz NNBKZDVJLRXERT-WDEREUQCSA-N 2 1 242.363 1.306 20 0 BDADMP CN(C)c1nccc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000085431543 344532185 /nfs/dbraw/zinc/53/21/85/344532185.db2.gz JQSYVPCBQKQYEM-NSHDSACASA-N 2 1 249.362 1.296 20 0 BDADMP CN(C)c1nc(NC[C@@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000085431543 344532186 /nfs/dbraw/zinc/53/21/86/344532186.db2.gz JQSYVPCBQKQYEM-NSHDSACASA-N 2 1 249.362 1.296 20 0 BDADMP CN(C)c1nc(NC[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000085431543 344532189 /nfs/dbraw/zinc/53/21/89/344532189.db2.gz JQSYVPCBQKQYEM-NSHDSACASA-N 2 1 249.362 1.296 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000158323308 344597282 /nfs/dbraw/zinc/59/72/82/344597282.db2.gz LHBQRDROSBITGO-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251919921 344682411 /nfs/dbraw/zinc/68/24/11/344682411.db2.gz YLBKTLOYNUDGFU-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493535103 530056791 /nfs/dbraw/zinc/05/67/91/530056791.db2.gz YZQSQNYVZDASFK-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493535105 530056981 /nfs/dbraw/zinc/05/69/81/530056981.db2.gz YZQSQNYVZDASFK-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000075681717 344784287 /nfs/dbraw/zinc/78/42/87/344784287.db2.gz KJAPVVDGHRGWQN-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CN(C)c1nc(N2CCC[C@H]([NH+](C)C)C2)cc[nH+]1 ZINC000077216096 344818470 /nfs/dbraw/zinc/81/84/70/344818470.db2.gz JJSYELADEIPBRT-NSHDSACASA-N 2 1 249.362 1.073 20 0 BDADMP COc1ccc([C@H](C[NH3+])Cn2cc[nH+]c2C)cc1 ZINC000583439066 344962768 /nfs/dbraw/zinc/96/27/68/344962768.db2.gz VLOLMLOLUPMCDE-CYBMUJFWSA-N 2 1 245.326 1.943 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000300231223 187297970 /nfs/dbraw/zinc/29/79/70/187297970.db2.gz GOMXQUDRBACKBA-IJLUTSLNSA-N 2 1 226.389 1.423 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCCC ZINC000154550881 345041980 /nfs/dbraw/zinc/04/19/80/345041980.db2.gz OVWWYHYHPRVTKD-LBPRGKRZSA-N 2 1 243.395 1.352 20 0 BDADMP OC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000155799557 345104045 /nfs/dbraw/zinc/10/40/45/345104045.db2.gz YKQGSUPOBNAGAZ-QPPOZKHWSA-N 2 1 238.375 1.506 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)C[C@@H]1C)C(C)C ZINC000156600967 345189941 /nfs/dbraw/zinc/18/99/41/345189941.db2.gz AOGZLUFJDPEYAS-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000156600967 345189944 /nfs/dbraw/zinc/18/99/44/345189944.db2.gz AOGZLUFJDPEYAS-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000156600967 345189947 /nfs/dbraw/zinc/18/99/47/345189947.db2.gz AOGZLUFJDPEYAS-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP C([N@H+]1CCC[C@@H]2COCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634994786 345182452 /nfs/dbraw/zinc/18/24/52/345182452.db2.gz MSLIWDIFYUGIRE-CEUNDQEZSA-N 2 1 236.359 1.239 20 0 BDADMP c1csc(CC[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000634995561 345185228 /nfs/dbraw/zinc/18/52/28/345185228.db2.gz IHUNTFLXDOFXFE-UHFFFAOYSA-N 2 1 222.357 1.632 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995922 345186205 /nfs/dbraw/zinc/18/62/05/345186205.db2.gz TVZHQCIXJCLNPD-YDGIUTOCSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156138261 345127224 /nfs/dbraw/zinc/12/72/24/345127224.db2.gz LQJZEYHAOWBMNM-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000634973690 345152432 /nfs/dbraw/zinc/15/24/32/345152432.db2.gz IPJAARJQDKCVLA-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998807 345199037 /nfs/dbraw/zinc/19/90/37/345199037.db2.gz LIVWASCNEGZMNZ-NXEZZACHSA-N 2 1 239.388 1.732 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998807 345199038 /nfs/dbraw/zinc/19/90/38/345199038.db2.gz LIVWASCNEGZMNZ-NXEZZACHSA-N 2 1 239.388 1.732 20 0 BDADMP Cc1ncsc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999574 345200091 /nfs/dbraw/zinc/20/00/91/345200091.db2.gz WNLWHCNXMNZYSB-PSASIEDQSA-N 2 1 225.361 1.478 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000634999609 345200645 /nfs/dbraw/zinc/20/06/45/345200645.db2.gz WZHAAVNZECMOND-RKDXNWHRSA-N 2 1 211.334 1.170 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000634999609 345200646 /nfs/dbraw/zinc/20/06/46/345200646.db2.gz WZHAAVNZECMOND-RKDXNWHRSA-N 2 1 211.334 1.170 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cnccn1 ZINC000635010014 345211876 /nfs/dbraw/zinc/21/18/76/345211876.db2.gz IQPIIOMCXIRACH-RYUDHWBXSA-N 2 1 248.374 1.905 20 0 BDADMP COCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158493617 345340398 /nfs/dbraw/zinc/34/03/98/345340398.db2.gz VVVOQGMOJMVPQU-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158493617 345340401 /nfs/dbraw/zinc/34/04/01/345340401.db2.gz VVVOQGMOJMVPQU-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H](C[NH3+])[N@H+](C)CCCOc1ccccc1 ZINC000158507869 345341468 /nfs/dbraw/zinc/34/14/68/345341468.db2.gz PXECQHVGDXLSPY-GFCCVEGCSA-N 2 1 222.332 1.735 20 0 BDADMP C[C@H](C[NH3+])[N@@H+](C)CCCOc1ccccc1 ZINC000158507869 345341470 /nfs/dbraw/zinc/34/14/70/345341470.db2.gz PXECQHVGDXLSPY-GFCCVEGCSA-N 2 1 222.332 1.735 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000158913683 345388176 /nfs/dbraw/zinc/38/81/76/345388176.db2.gz UJLSIAXTIPBZTK-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000158913683 345388178 /nfs/dbraw/zinc/38/81/78/345388178.db2.gz UJLSIAXTIPBZTK-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000158913683 345388180 /nfs/dbraw/zinc/38/81/80/345388180.db2.gz UJLSIAXTIPBZTK-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000158924983 345388632 /nfs/dbraw/zinc/38/86/32/345388632.db2.gz OJPDRTFSYHQQKT-YHWZYXNKSA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnn(C)c1 ZINC000133307219 345368980 /nfs/dbraw/zinc/36/89/80/345368980.db2.gz DDYNGEKRQULVTE-LBPRGKRZSA-N 2 1 224.352 1.225 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnn(C)c1 ZINC000133307219 345368985 /nfs/dbraw/zinc/36/89/85/345368985.db2.gz DDYNGEKRQULVTE-LBPRGKRZSA-N 2 1 224.352 1.225 20 0 BDADMP CCSCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000159237681 345417578 /nfs/dbraw/zinc/41/75/78/345417578.db2.gz BUYKMHWTIYKDDE-VHSXEESVSA-N 2 1 202.367 1.409 20 0 BDADMP CC(C)COCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397301875 323090331 /nfs/dbraw/zinc/09/03/31/323090331.db2.gz KRWQRTRINBFFTJ-IHRRRGAJSA-N 2 1 242.407 1.964 20 0 BDADMP CN(C)c1cc[nH+]c(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000091483081 345594954 /nfs/dbraw/zinc/59/49/54/345594954.db2.gz ZLEUABXKYRYZFJ-NSHDSACASA-N 2 1 249.362 1.296 20 0 BDADMP CN(C)c1cc[nH+]c(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000091483081 345594956 /nfs/dbraw/zinc/59/49/56/345594956.db2.gz ZLEUABXKYRYZFJ-NSHDSACASA-N 2 1 249.362 1.296 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309453982 187309123 /nfs/dbraw/zinc/30/91/23/187309123.db2.gz QNFHLZMKVOBNQY-STQMWFEESA-N 2 1 228.380 1.874 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000235935208 537906912 /nfs/dbraw/zinc/90/69/12/537906912.db2.gz MVPMNFOCCVYCMP-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000235935208 537906921 /nfs/dbraw/zinc/90/69/21/537906921.db2.gz MVPMNFOCCVYCMP-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1C[NH2+]C1 ZINC000307654540 345878116 /nfs/dbraw/zinc/87/81/16/345878116.db2.gz MRZMLAYKNHIFNP-WFASDCNBSA-N 2 1 245.370 1.068 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310128706 187311594 /nfs/dbraw/zinc/31/15/94/187311594.db2.gz KABYITSAZYUUFR-AWEZNQCLSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000307690100 345901603 /nfs/dbraw/zinc/90/16/03/345901603.db2.gz HOCOGQZPUSZKRD-VHSXEESVSA-N 2 1 200.301 1.548 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000381470811 346002421 /nfs/dbraw/zinc/00/24/21/346002421.db2.gz MNWRYBNTBXWADJ-FRRDWIJNSA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000381470811 346002424 /nfs/dbraw/zinc/00/24/24/346002424.db2.gz MNWRYBNTBXWADJ-FRRDWIJNSA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000381470809 346002556 /nfs/dbraw/zinc/00/25/56/346002556.db2.gz MNWRYBNTBXWADJ-AGIUHOORSA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000381470809 346002559 /nfs/dbraw/zinc/00/25/59/346002559.db2.gz MNWRYBNTBXWADJ-AGIUHOORSA-N 2 1 227.396 1.255 20 0 BDADMP [NH3+]CCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000577078677 365807663 /nfs/dbraw/zinc/80/76/63/365807663.db2.gz FLRVTEVSDAKMKC-UHFFFAOYSA-N 2 1 239.388 1.215 20 0 BDADMP OCc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000641744634 362666835 /nfs/dbraw/zinc/66/68/35/362666835.db2.gz UFAPETODWJEBGC-UHFFFAOYSA-N 2 1 234.343 1.364 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(F)c1N ZINC000641776308 362716952 /nfs/dbraw/zinc/71/69/52/362716952.db2.gz XXYCGXPXUBLCNO-UHFFFAOYSA-N 2 1 248.305 1.474 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC000563422155 323124153 /nfs/dbraw/zinc/12/41/53/323124153.db2.gz YLVYTJZYBDBQEL-VIFPVBQESA-N 2 1 228.286 1.910 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1cncn1C ZINC000641795942 362736459 /nfs/dbraw/zinc/73/64/59/362736459.db2.gz BQIXDNZDUGGTQV-ZDUSSCGKSA-N 2 1 238.379 1.268 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000641797256 362743047 /nfs/dbraw/zinc/74/30/47/362743047.db2.gz ZMKOBKFDTWVPOF-NWDGAFQWSA-N 2 1 236.363 1.022 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000641798267 362743579 /nfs/dbraw/zinc/74/35/79/362743579.db2.gz DHNPFTWLMXSXNR-KBPBESRZSA-N 2 1 248.374 1.416 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641799717 362748293 /nfs/dbraw/zinc/74/82/93/362748293.db2.gz PVYJJLDEDBEYJP-CYBMUJFWSA-N 2 1 234.347 1.028 20 0 BDADMP CC1(C)[C@H](N)C[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000641804301 362761608 /nfs/dbraw/zinc/76/16/08/362761608.db2.gz YAIIFWLYRXEFST-QJPTWQEYSA-N 2 1 225.380 1.092 20 0 BDADMP CCCCCNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802764 362762870 /nfs/dbraw/zinc/76/28/70/362762870.db2.gz OMUMCECGVQEHKJ-GHMZBOCLSA-N 2 1 241.379 1.008 20 0 BDADMP Cc1noc(C)c1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000580074508 346510932 /nfs/dbraw/zinc/51/09/32/346510932.db2.gz WGIWNFYRBQDPPA-GFCCVEGCSA-N 2 1 223.320 1.381 20 0 BDADMP CCc1nc([C@H](C)N[C@@H]2C[C@H]([NH3+])C2(C)C)n[nH]1 ZINC000641800580 362751618 /nfs/dbraw/zinc/75/16/18/362751618.db2.gz BOGADYCVVZNNKR-XHNCKOQMSA-N 2 1 237.351 1.144 20 0 BDADMP CCC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000380037764 365817433 /nfs/dbraw/zinc/81/74/33/365817433.db2.gz SORUZXUWNOCDGF-NEPJUHHUSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000380037764 365817440 /nfs/dbraw/zinc/81/74/40/365817440.db2.gz SORUZXUWNOCDGF-NEPJUHHUSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000380037764 365817443 /nfs/dbraw/zinc/81/74/43/365817443.db2.gz SORUZXUWNOCDGF-NEPJUHHUSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000380037764 365817449 /nfs/dbraw/zinc/81/74/49/365817449.db2.gz SORUZXUWNOCDGF-NEPJUHHUSA-N 2 1 216.369 1.419 20 0 BDADMP CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000641801699 362756863 /nfs/dbraw/zinc/75/68/63/362756863.db2.gz DZAJOFAGLMLART-RYUDHWBXSA-N 2 1 225.380 1.092 20 0 BDADMP CCCCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803770 362760918 /nfs/dbraw/zinc/76/09/18/362760918.db2.gz HHDDOGBSNSFLFU-GARJFASQSA-N 2 1 241.379 1.007 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187353797 346570635 /nfs/dbraw/zinc/57/06/35/346570635.db2.gz CPTQOTDBTDMPPK-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000309664255 347130786 /nfs/dbraw/zinc/13/07/86/347130786.db2.gz SOMWBKSAYYXFIE-DGCLKSJQSA-N 2 1 225.380 1.010 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000388278708 347286462 /nfs/dbraw/zinc/28/64/62/347286462.db2.gz KRQCKVCHYZUQLP-GWCFXTLKSA-N 2 1 226.364 1.484 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)C2CC2)CC1 ZINC000388244375 347260909 /nfs/dbraw/zinc/26/09/09/347260909.db2.gz SASNVKORVBKIHR-RISCZKNCSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000577231800 365893852 /nfs/dbraw/zinc/89/38/52/365893852.db2.gz RCVBLLSWSCTAOV-QWHCGFSZSA-N 2 1 239.407 1.720 20 0 BDADMP CSCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000591567822 347670609 /nfs/dbraw/zinc/67/06/09/347670609.db2.gz QAWUPTOXVBDHNQ-MRVPVSSYSA-N 2 1 211.334 1.508 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC(=O)OC(C)C)CC[C@@H]1[NH3+] ZINC000592488807 347786980 /nfs/dbraw/zinc/78/69/80/347786980.db2.gz OOVPSCYXLQZYFI-NEPJUHHUSA-N 2 1 242.363 1.387 20 0 BDADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[NH2+]C1)C(C)C ZINC000594583536 348076782 /nfs/dbraw/zinc/07/67/82/348076782.db2.gz UMJAXXLWHBIQFL-RYUDHWBXSA-N 2 1 242.363 1.304 20 0 BDADMP CC[C@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)OC ZINC000419231523 192112116 /nfs/dbraw/zinc/11/21/16/192112116.db2.gz SAIQUBDZRNOFHG-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)O1 ZINC000251798512 362923189 /nfs/dbraw/zinc/92/31/89/362923189.db2.gz LVMUFSPIZVWESH-DDHJBXDOSA-N 2 1 212.337 1.366 20 0 BDADMP Cc1cc[nH+]c(NC[C@](C)(O)C[NH+](C)C)c1 ZINC000228668261 179451049 /nfs/dbraw/zinc/45/10/49/179451049.db2.gz FHJVDJIANDMFQC-LBPRGKRZSA-N 2 1 223.320 1.115 20 0 BDADMP CCc1ncc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000419743739 192145249 /nfs/dbraw/zinc/14/52/49/192145249.db2.gz HIGGFLFTTCXBFH-LLVKDONJSA-N 2 1 236.363 1.326 20 0 BDADMP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000429452848 192146440 /nfs/dbraw/zinc/14/64/40/192146440.db2.gz QTQAVYJNYOXJHV-GARJFASQSA-N 2 1 248.317 1.219 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000054788291 349079824 /nfs/dbraw/zinc/07/98/24/349079824.db2.gz IESYMTNCJLEZGB-NSHDSACASA-N 2 1 239.388 1.963 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000054788291 349079827 /nfs/dbraw/zinc/07/98/27/349079827.db2.gz IESYMTNCJLEZGB-NSHDSACASA-N 2 1 239.388 1.963 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250627786 349176596 /nfs/dbraw/zinc/17/65/96/349176596.db2.gz QNHGDAWSKDRIJP-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP C[N@@H+]1CCC[C@H](CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250627786 349176599 /nfs/dbraw/zinc/17/65/99/349176599.db2.gz QNHGDAWSKDRIJP-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250627786 349176602 /nfs/dbraw/zinc/17/66/02/349176602.db2.gz QNHGDAWSKDRIJP-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP CSCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386097868 362941181 /nfs/dbraw/zinc/94/11/81/362941181.db2.gz JFJKELYLAVOQFE-VHSXEESVSA-N 2 1 202.367 1.470 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2=CCCOC2)CC1(C)C ZINC000623525354 362944533 /nfs/dbraw/zinc/94/45/33/362944533.db2.gz HQUYGJWPZWZCMY-ZDUSSCGKSA-N 2 1 238.375 1.796 20 0 BDADMP C[C@H](c1ccccn1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251279561 538044919 /nfs/dbraw/zinc/04/49/19/538044919.db2.gz QRSHHONHWAWLRR-WOPDTQHZSA-N 2 1 217.316 1.294 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070480064 350015000 /nfs/dbraw/zinc/01/50/00/350015000.db2.gz HNBYZAOTZSSICC-NWDGAFQWSA-N 2 1 234.347 1.598 20 0 BDADMP CC(=O)Nc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000090961107 191025340 /nfs/dbraw/zinc/02/53/40/191025340.db2.gz XVQRFNCKEUVQER-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@@H+]1C ZINC000246967642 538061869 /nfs/dbraw/zinc/06/18/69/538061869.db2.gz IFSAETZKOXPFIQ-YIYPIFLZSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1C ZINC000246967642 538061878 /nfs/dbraw/zinc/06/18/78/538061878.db2.gz IFSAETZKOXPFIQ-YIYPIFLZSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]CCCc1c[nH+]cn1C ZINC000314435097 350172000 /nfs/dbraw/zinc/17/20/00/350172000.db2.gz ZFXMSHAQGGFXJO-GFCCVEGCSA-N 2 1 247.346 1.228 20 0 BDADMP Cn1cncc1CCC[N@H+]1CCC[C@@](C)(O)C1 ZINC000314992494 350177813 /nfs/dbraw/zinc/17/78/13/350177813.db2.gz ZCSPJCQLFYWYQB-CYBMUJFWSA-N 2 1 237.347 1.200 20 0 BDADMP Cc1ncc(C[NH2+][C@@H](C)CC[NH+](C)C)s1 ZINC000049554422 180154053 /nfs/dbraw/zinc/15/40/53/180154053.db2.gz BWUNYKUHWYHDNZ-VIFPVBQESA-N 2 1 227.377 1.881 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000333771494 180157206 /nfs/dbraw/zinc/15/72/06/180157206.db2.gz RLASHEFYSJEGPH-MELADBBJSA-N 2 1 249.358 1.993 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](C)(O)C1 ZINC000270611505 180239721 /nfs/dbraw/zinc/23/97/21/180239721.db2.gz IHDVVGLSIUYITA-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](C)(O)C1 ZINC000270611505 180239723 /nfs/dbraw/zinc/23/97/23/180239723.db2.gz IHDVVGLSIUYITA-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000083552512 350242567 /nfs/dbraw/zinc/24/25/67/350242567.db2.gz BSEVVZKOALXJSR-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H](C)O ZINC000124387938 180233404 /nfs/dbraw/zinc/23/34/04/180233404.db2.gz BHLVARCHEQIFAU-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H](C)O ZINC000124387938 180233407 /nfs/dbraw/zinc/23/34/07/180233407.db2.gz BHLVARCHEQIFAU-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352659178 180237245 /nfs/dbraw/zinc/23/72/45/180237245.db2.gz MFDSAXNPFKBGAP-CHWSQXEVSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352659178 180237248 /nfs/dbraw/zinc/23/72/48/180237248.db2.gz MFDSAXNPFKBGAP-CHWSQXEVSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cncnc1 ZINC000290358102 180237622 /nfs/dbraw/zinc/23/76/22/180237622.db2.gz GPYHGKIKNPEZKI-UHFFFAOYSA-N 2 1 245.330 1.504 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncnc1 ZINC000290358102 180237626 /nfs/dbraw/zinc/23/76/26/180237626.db2.gz GPYHGKIKNPEZKI-UHFFFAOYSA-N 2 1 245.330 1.504 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000336712658 180238779 /nfs/dbraw/zinc/23/87/79/180238779.db2.gz OFWDWMDEXRDKQG-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000336712658 180238784 /nfs/dbraw/zinc/23/87/84/180238784.db2.gz OFWDWMDEXRDKQG-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000336712656 180239006 /nfs/dbraw/zinc/23/90/06/180239006.db2.gz OFWDWMDEXRDKQG-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000336712656 180239008 /nfs/dbraw/zinc/23/90/08/180239008.db2.gz OFWDWMDEXRDKQG-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP CC[C@@H](NC[C@@H]1CCC[N@H+]1CC)[C@@H]1CCC[NH2+]1 ZINC000422755600 192455721 /nfs/dbraw/zinc/45/57/21/192455721.db2.gz KRGHPSQDGCUDHO-MJBXVCDLSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CCO ZINC000336691437 180240468 /nfs/dbraw/zinc/24/04/68/180240468.db2.gz HBMVNRWISVDXMV-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CCO ZINC000336691437 180240471 /nfs/dbraw/zinc/24/04/71/180240471.db2.gz HBMVNRWISVDXMV-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357089944 180242446 /nfs/dbraw/zinc/24/24/46/180242446.db2.gz QDYRXJSOPPUTPU-UONOGXRCSA-N 2 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357089944 180242450 /nfs/dbraw/zinc/24/24/50/180242450.db2.gz QDYRXJSOPPUTPU-UONOGXRCSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357089944 180242453 /nfs/dbraw/zinc/24/24/53/180242453.db2.gz QDYRXJSOPPUTPU-UONOGXRCSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)C(C)C ZINC000336747234 180244123 /nfs/dbraw/zinc/24/41/23/180244123.db2.gz RWKOJHGHAVHBTE-LBPRGKRZSA-N 2 1 225.336 1.188 20 0 BDADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000340495206 180273433 /nfs/dbraw/zinc/27/34/33/180273433.db2.gz UYFWGPWUIQKMDD-WCQYABFASA-N 2 1 248.374 1.257 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)C1CCCC1 ZINC000352675307 180263564 /nfs/dbraw/zinc/26/35/64/180263564.db2.gz FSLSZZOWFHYIJY-CYBMUJFWSA-N 2 1 237.347 1.332 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](C)C1 ZINC000121991651 180263717 /nfs/dbraw/zinc/26/37/17/180263717.db2.gz WUEHZNAPFPALLV-JQWIXIFHSA-N 2 1 207.321 1.970 20 0 BDADMP Cc1ncsc1CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228202133 180308651 /nfs/dbraw/zinc/30/86/51/180308651.db2.gz PXALRNXZOUZEDC-ONGXEEELSA-N 2 1 239.388 1.663 20 0 BDADMP CC(C)Cn1ccnc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422782383 192466111 /nfs/dbraw/zinc/46/61/11/192466111.db2.gz LXPBMOSCRSGQQG-NEPJUHHUSA-N 2 1 238.379 1.755 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000429184566 191100970 /nfs/dbraw/zinc/10/09/70/191100970.db2.gz QTDSIVZJKUYPMJ-CYBMUJFWSA-N 2 1 243.395 1.208 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)CC[C@@H]1[NH3+] ZINC000328218631 350393919 /nfs/dbraw/zinc/39/39/19/350393919.db2.gz XRXZPDBSYHRCPX-MROQNXINSA-N 2 1 226.364 1.207 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CSC ZINC000309301267 323341511 /nfs/dbraw/zinc/34/15/11/323341511.db2.gz YJPSCZZXOXPBHN-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000069889612 350431192 /nfs/dbraw/zinc/43/11/92/350431192.db2.gz GSYLASQMULOPOM-YPMHNXCESA-N 2 1 226.364 1.628 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000162855239 350446325 /nfs/dbraw/zinc/44/63/25/350446325.db2.gz IZVDAFGDQHNSTL-OKZRHMCRSA-N 2 1 226.364 1.626 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000162855239 350446327 /nfs/dbraw/zinc/44/63/27/350446327.db2.gz IZVDAFGDQHNSTL-OKZRHMCRSA-N 2 1 226.364 1.626 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227212528 350488993 /nfs/dbraw/zinc/48/89/93/350488993.db2.gz CGAOHWMIPMUKSF-IJLUTSLNSA-N 2 1 242.363 1.387 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227212528 350488998 /nfs/dbraw/zinc/48/89/98/350488998.db2.gz CGAOHWMIPMUKSF-IJLUTSLNSA-N 2 1 242.363 1.387 20 0 BDADMP FCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128109754 490572049 /nfs/dbraw/zinc/57/20/49/490572049.db2.gz SICZQRYUZCWIGT-WDEREUQCSA-N 2 1 200.301 1.562 20 0 BDADMP CCCCOCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577492646 365968119 /nfs/dbraw/zinc/96/81/19/365968119.db2.gz HPQXEJLYGYYBIG-CQSZACIVSA-N 2 1 240.391 1.879 20 0 BDADMP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000177393158 365998529 /nfs/dbraw/zinc/99/85/29/365998529.db2.gz MCQKQCOYYQIGNG-JSGCOSHPSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@@H](C)C1 ZINC000347431520 133833632 /nfs/dbraw/zinc/83/36/32/133833632.db2.gz ODMAMDIQBDJWDJ-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1nc(CN(C)C[C@H]2CCC[N@H+]2C)[nH]c1C ZINC000628316122 351046641 /nfs/dbraw/zinc/04/66/41/351046641.db2.gz JPGMPWXAASFUQK-GFCCVEGCSA-N 2 1 236.363 1.553 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000575762614 351012366 /nfs/dbraw/zinc/01/23/66/351012366.db2.gz ZRJNZAJCCZVNLR-WDEREUQCSA-N 2 1 235.331 1.912 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623574627 363004842 /nfs/dbraw/zinc/00/48/42/363004842.db2.gz SFBAETYPCVNSKZ-WZRBSPASSA-N 2 1 226.364 1.626 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H](C)O ZINC000571516589 351077094 /nfs/dbraw/zinc/07/70/94/351077094.db2.gz OVDZDORHXPIFQC-GMTAPVOTSA-N 2 1 225.336 1.187 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907813 358464391 /nfs/dbraw/zinc/46/43/91/358464391.db2.gz VBIBSXCZFKRXFQ-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[C@@H]([NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000637849111 351706826 /nfs/dbraw/zinc/70/68/26/351706826.db2.gz MSKBSRWVVUDUQP-NSHDSACASA-N 2 1 243.395 1.064 20 0 BDADMP COC(=O)[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H]1C ZINC000414764599 351701120 /nfs/dbraw/zinc/70/11/20/351701120.db2.gz YQLYWAOIPAFSGU-SDDRHHMPSA-N 2 1 242.363 1.243 20 0 BDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H]1C ZINC000414764599 351701123 /nfs/dbraw/zinc/70/11/23/351701123.db2.gz YQLYWAOIPAFSGU-SDDRHHMPSA-N 2 1 242.363 1.243 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CCCCC1 ZINC000414851021 351830432 /nfs/dbraw/zinc/83/04/32/351830432.db2.gz OHXJJEHDDCNOFN-CQSZACIVSA-N 3 1 239.407 1.483 20 0 BDADMP CC[C@@](C)(C[N@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000638077618 351950978 /nfs/dbraw/zinc/95/09/78/351950978.db2.gz VTFWXGXZSBTGTF-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP C(C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CCOCC1 ZINC000638089243 351966040 /nfs/dbraw/zinc/96/60/40/351966040.db2.gz LOXKLKSKXAQIHV-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C(C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CCOCC1 ZINC000638089243 351966043 /nfs/dbraw/zinc/96/60/43/351966043.db2.gz LOXKLKSKXAQIHV-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000638174360 352043168 /nfs/dbraw/zinc/04/31/68/352043168.db2.gz LWABIGSGHLCABM-GFCCVEGCSA-N 2 1 247.342 1.426 20 0 BDADMP COc1cccc(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186115 352051234 /nfs/dbraw/zinc/05/12/34/352051234.db2.gz LMABMHSSMVOWAL-BETUJISGSA-N 2 1 246.354 1.655 20 0 BDADMP COc1cccc(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186115 352051238 /nfs/dbraw/zinc/05/12/38/352051238.db2.gz LMABMHSSMVOWAL-BETUJISGSA-N 2 1 246.354 1.655 20 0 BDADMP CC[C@@H](C[NH2+]C[C@H](OC)C1CC1)[NH+]1CCCC1 ZINC000638354899 352169236 /nfs/dbraw/zinc/16/92/36/352169236.db2.gz XVEXITDOYPQQHE-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000638360491 352171541 /nfs/dbraw/zinc/17/15/41/352171541.db2.gz SCBFLBXCPLSWIH-VXGBXAGGSA-N 2 1 246.420 1.438 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C[C@@H]1CCO1 ZINC000638378471 352189549 /nfs/dbraw/zinc/18/95/49/352189549.db2.gz XEQWBVJKCGJDGG-HZSPNIEDSA-N 2 1 238.375 1.772 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638409440 352218780 /nfs/dbraw/zinc/21/87/80/352218780.db2.gz MHDKIBGIAZPOLH-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCC2(O)CCC2)CC[N@@H+]1C ZINC000411116287 191160702 /nfs/dbraw/zinc/16/07/02/191160702.db2.gz RJEYHATXRRXAGB-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCC2(O)CCC2)CC[N@H+]1C ZINC000411116287 191160704 /nfs/dbraw/zinc/16/07/04/191160704.db2.gz RJEYHATXRRXAGB-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCC2(O)CCC2)CC[NH+]1C ZINC000411116287 191160706 /nfs/dbraw/zinc/16/07/06/191160706.db2.gz RJEYHATXRRXAGB-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCC2(O)CCC2)CC[NH+]1C ZINC000411116287 191160708 /nfs/dbraw/zinc/16/07/08/191160708.db2.gz RJEYHATXRRXAGB-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2(O)CCC2)C1 ZINC000411115903 191160841 /nfs/dbraw/zinc/16/08/41/191160841.db2.gz JFTZSLIHYKPYPK-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2(O)CCC2)C1 ZINC000411115903 191160844 /nfs/dbraw/zinc/16/08/44/191160844.db2.gz JFTZSLIHYKPYPK-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2(O)CCC2)C1 ZINC000411115903 191160846 /nfs/dbraw/zinc/16/08/46/191160846.db2.gz JFTZSLIHYKPYPK-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000638565540 352390693 /nfs/dbraw/zinc/39/06/93/352390693.db2.gz PKTVVJIYOGXWPD-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000638589100 352420721 /nfs/dbraw/zinc/42/07/21/352420721.db2.gz RDAIAHNSURRVBQ-GARJFASQSA-N 2 1 232.318 1.962 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300368871 352560656 /nfs/dbraw/zinc/56/06/56/352560656.db2.gz UZZOZJXRNHKHMM-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP CC[C@H](C)N(C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300368871 352560660 /nfs/dbraw/zinc/56/06/60/352560660.db2.gz UZZOZJXRNHKHMM-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP COC1([C@H](C)[NH2+]CCn2cc[nH+]c2C)CCC1 ZINC000412019283 191237133 /nfs/dbraw/zinc/23/71/33/191237133.db2.gz DYRVMBYKXLADOI-NSHDSACASA-N 2 1 237.347 1.739 20 0 BDADMP CCc1nc(NC[C@H](C2CC2)[NH+](C)C)cc(C)[nH+]1 ZINC000342009171 352735623 /nfs/dbraw/zinc/73/56/23/352735623.db2.gz OAEIDRPEPRLULR-GFCCVEGCSA-N 2 1 248.374 1.521 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000334215563 352814944 /nfs/dbraw/zinc/81/49/44/352814944.db2.gz UGUUNNWUDGBBCZ-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000334215563 352814947 /nfs/dbraw/zinc/81/49/47/352814947.db2.gz UGUUNNWUDGBBCZ-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000334215563 352814948 /nfs/dbraw/zinc/81/49/48/352814948.db2.gz UGUUNNWUDGBBCZ-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP Cc1nocc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000334191438 352781883 /nfs/dbraw/zinc/78/18/83/352781883.db2.gz HNTALUTXVPJBLC-MFKMUULPSA-N 2 1 237.347 1.898 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCC2)[C@H](C)C1 ZINC000342811191 352862082 /nfs/dbraw/zinc/86/20/82/352862082.db2.gz CSIZWIJSCIGFBM-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCC2)[C@@H](C)C1 ZINC000342811193 352862379 /nfs/dbraw/zinc/86/23/79/352862379.db2.gz CSIZWIJSCIGFBM-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1nc(C)c(C)c(NCC2=CC[N@@H+](C)CC2)n1 ZINC000342815570 352863327 /nfs/dbraw/zinc/86/33/27/352863327.db2.gz DLFWBWWOSBPDJC-UHFFFAOYSA-N 2 1 246.358 1.498 20 0 BDADMP Cc1nc(NCC2=CC[N@@H+](C)CC2)c(C)c(C)[nH+]1 ZINC000342815570 352863330 /nfs/dbraw/zinc/86/33/30/352863330.db2.gz DLFWBWWOSBPDJC-UHFFFAOYSA-N 2 1 246.358 1.498 20 0 BDADMP C[C@H]1[C@H](CO)CCC[N@H+]1CCCn1ccnc1 ZINC000412063486 191257402 /nfs/dbraw/zinc/25/74/02/191257402.db2.gz BEBWYOBGSOWITN-STQMWFEESA-N 2 1 237.347 1.366 20 0 BDADMP Cc1nccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000608084977 352838260 /nfs/dbraw/zinc/83/82/60/352838260.db2.gz JSAMYTORGKJYQB-GFCCVEGCSA-N 2 1 232.331 1.681 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000310581812 188002622 /nfs/dbraw/zinc/00/26/22/188002622.db2.gz RJFSBSJZYGWUBI-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000111356930 188006154 /nfs/dbraw/zinc/00/61/54/188006154.db2.gz BNJYYLOIIHVDEY-QWHCGFSZSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000111356930 188006155 /nfs/dbraw/zinc/00/61/55/188006155.db2.gz BNJYYLOIIHVDEY-QWHCGFSZSA-N 2 1 234.347 1.137 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000334521774 188007907 /nfs/dbraw/zinc/00/79/07/188007907.db2.gz XQFJYWCPKHSCRJ-VOBJUBJWSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000334521774 188007908 /nfs/dbraw/zinc/00/79/08/188007908.db2.gz XQFJYWCPKHSCRJ-VOBJUBJWSA-N 2 1 214.328 1.807 20 0 BDADMP C=Cn1cc(C[N@@H+](C)CCCn2ccnc2)cn1 ZINC000290452418 188035778 /nfs/dbraw/zinc/03/57/78/188035778.db2.gz MLAXANZZMFISOL-UHFFFAOYSA-N 2 1 245.330 1.702 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336495839 188057220 /nfs/dbraw/zinc/05/72/20/188057220.db2.gz NFNCISDGFNFPTD-SNVBAGLBSA-N 2 1 222.336 1.326 20 0 BDADMP CC[N@H+]1CCN(c2ncnc3[nH]ccc32)[C@H](C)C1 ZINC000343266006 353278448 /nfs/dbraw/zinc/27/84/48/353278448.db2.gz PWEYGFKAMXMHBM-SNVBAGLBSA-N 2 1 245.330 1.488 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250000867 353267521 /nfs/dbraw/zinc/26/75/21/353267521.db2.gz RCCOLFKNZUXYTP-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CSCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000129425358 353319309 /nfs/dbraw/zinc/31/93/09/353319309.db2.gz OURPBYPKAOLXLC-UHFFFAOYSA-N 2 1 216.394 1.813 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639049503 353344528 /nfs/dbraw/zinc/34/45/28/353344528.db2.gz SVXYRHWUPJPTTH-MQYQWHSLSA-N 2 1 238.375 1.079 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639049503 353344530 /nfs/dbraw/zinc/34/45/30/353344530.db2.gz SVXYRHWUPJPTTH-MQYQWHSLSA-N 2 1 238.375 1.079 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000193309798 353589943 /nfs/dbraw/zinc/58/99/43/353589943.db2.gz DFIAOTSRUDMDDJ-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@@](C)(C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113235 353711025 /nfs/dbraw/zinc/71/10/25/353711025.db2.gz LMEDGOZJHHTJGE-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@](C)(C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)OC ZINC000639113235 353711028 /nfs/dbraw/zinc/71/10/28/353711028.db2.gz LMEDGOZJHHTJGE-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@](C)(C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)OC ZINC000639113235 353711031 /nfs/dbraw/zinc/71/10/31/353711031.db2.gz LMEDGOZJHHTJGE-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C)[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113867 353715105 /nfs/dbraw/zinc/71/51/05/353715105.db2.gz YIQBPGBHWYZLFW-FQUUOJAGSA-N 2 1 240.391 1.541 20 0 BDADMP CC[C@H](C)[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)OC ZINC000639113867 353715109 /nfs/dbraw/zinc/71/51/09/353715109.db2.gz YIQBPGBHWYZLFW-FQUUOJAGSA-N 2 1 240.391 1.541 20 0 BDADMP CC[C@H](C)[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)OC ZINC000639113867 353715111 /nfs/dbraw/zinc/71/51/11/353715111.db2.gz YIQBPGBHWYZLFW-FQUUOJAGSA-N 2 1 240.391 1.541 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(=O)[nH]c1 ZINC000639131910 353841344 /nfs/dbraw/zinc/84/13/44/353841344.db2.gz BEWZVYFKMXZUOU-UHFFFAOYSA-N 2 1 249.358 1.705 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(=O)[nH]c1 ZINC000639131910 353841347 /nfs/dbraw/zinc/84/13/47/353841347.db2.gz BEWZVYFKMXZUOU-UHFFFAOYSA-N 2 1 249.358 1.705 20 0 BDADMP CC[NH+]1C[C@H](NC[C@H]2CC[N@H+](CC)C2)[C@@H](C)C1 ZINC000343557950 353920798 /nfs/dbraw/zinc/92/07/98/353920798.db2.gz GOHAHIVIBIXIQJ-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@H+](CC)C[C@@H]2C)C1 ZINC000343557950 353920800 /nfs/dbraw/zinc/92/08/00/353920800.db2.gz GOHAHIVIBIXIQJ-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@@H+](CC)C[C@@H]2C)C1 ZINC000343557950 353920802 /nfs/dbraw/zinc/92/08/02/353920802.db2.gz GOHAHIVIBIXIQJ-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CCN1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)[C@@H](C)C1 ZINC000343557950 353920806 /nfs/dbraw/zinc/92/08/06/353920806.db2.gz GOHAHIVIBIXIQJ-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CCN1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000343557950 353920808 /nfs/dbraw/zinc/92/08/08/353920808.db2.gz GOHAHIVIBIXIQJ-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000343987612 354061843 /nfs/dbraw/zinc/06/18/43/354061843.db2.gz OCQQGRMSXLJXLU-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000343987612 354061845 /nfs/dbraw/zinc/06/18/45/354061845.db2.gz OCQQGRMSXLJXLU-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000343987612 354061847 /nfs/dbraw/zinc/06/18/47/354061847.db2.gz OCQQGRMSXLJXLU-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CCN1C[C@@H](C)[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000343903136 354054810 /nfs/dbraw/zinc/05/48/10/354054810.db2.gz CTYMQQVIAZPEKP-YPMHNXCESA-N 2 1 236.363 1.121 20 0 BDADMP CCC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344047179 354120958 /nfs/dbraw/zinc/12/09/58/354120958.db2.gz YQGWRAQYFXUWGA-UHFFFAOYSA-N 2 1 215.385 1.212 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](OC)C1CC1 ZINC000639175985 354212998 /nfs/dbraw/zinc/21/29/98/354212998.db2.gz SPIGOPOTMLFIND-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000344763279 354355990 /nfs/dbraw/zinc/35/59/90/354355990.db2.gz UEYAUDCDPOYPEM-RQJABVFESA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000344763279 354355991 /nfs/dbraw/zinc/35/59/91/354355991.db2.gz UEYAUDCDPOYPEM-RQJABVFESA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000344763275 354356059 /nfs/dbraw/zinc/35/60/59/354356059.db2.gz UEYAUDCDPOYPEM-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000344763275 354356061 /nfs/dbraw/zinc/35/60/61/354356061.db2.gz UEYAUDCDPOYPEM-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000578070512 366219700 /nfs/dbraw/zinc/21/97/00/366219700.db2.gz VVUMTZPIEPDNMO-MNOVXSKESA-N 2 1 237.347 1.696 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](CC1CC1)CC1CC1 ZINC000383636198 354605095 /nfs/dbraw/zinc/60/50/95/354605095.db2.gz YGOSFHHHXMABAJ-AWEZNQCLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CC1)CC1CC1 ZINC000383636198 354605098 /nfs/dbraw/zinc/60/50/98/354605098.db2.gz YGOSFHHHXMABAJ-AWEZNQCLSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232674116 363378483 /nfs/dbraw/zinc/37/84/83/363378483.db2.gz MZKBHZNLBDDGNF-GFCCVEGCSA-N 2 1 214.353 1.330 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000346460650 354964472 /nfs/dbraw/zinc/96/44/72/354964472.db2.gz MXUZTBUEHZZEAW-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH2+]C)C2)CCO1 ZINC000346652383 355002797 /nfs/dbraw/zinc/00/27/97/355002797.db2.gz QNYBGVJMNDTCCR-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H]([NH2+]C)C2)CCO1 ZINC000346652383 355002801 /nfs/dbraw/zinc/00/28/01/355002801.db2.gz QNYBGVJMNDTCCR-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000346674638 355008931 /nfs/dbraw/zinc/00/89/31/355008931.db2.gz ISPRVADQYMLCEF-UWVGGRQHSA-N 2 1 239.388 1.875 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000346674638 355008934 /nfs/dbraw/zinc/00/89/34/355008934.db2.gz ISPRVADQYMLCEF-UWVGGRQHSA-N 2 1 239.388 1.875 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[NH2+]CC1 ZINC000346651331 355019018 /nfs/dbraw/zinc/01/90/18/355019018.db2.gz ODMMZDHSXRAASN-CYBMUJFWSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCSCC1 ZINC000335182210 355079790 /nfs/dbraw/zinc/07/97/90/355079790.db2.gz SIYPWAIAHXERSC-CMPLNLGQSA-N 2 1 228.405 1.860 20 0 BDADMP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000346819404 355124167 /nfs/dbraw/zinc/12/41/67/355124167.db2.gz BULKIJSUKKKQIH-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000346819404 355124173 /nfs/dbraw/zinc/12/41/73/355124173.db2.gz BULKIJSUKKKQIH-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000639233925 355216547 /nfs/dbraw/zinc/21/65/47/355216547.db2.gz YYFYXFAXAUQNSB-GRYCIOLGSA-N 2 1 213.369 1.009 20 0 BDADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422834706 192485192 /nfs/dbraw/zinc/48/51/92/192485192.db2.gz XHDDVVVYFBMCMZ-QWHCGFSZSA-N 2 1 247.342 1.016 20 0 BDADMP C[C@@H](F)CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000352006600 134034647 /nfs/dbraw/zinc/03/46/47/134034647.db2.gz URMYIQSBFYHANB-OLZOCXBDSA-N 2 1 244.354 1.389 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2C[NH3+])CCO1 ZINC000347011699 355205014 /nfs/dbraw/zinc/20/50/14/355205014.db2.gz GTXOPLKLOZLYPH-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C[NH3+])CCO1 ZINC000347011699 355205015 /nfs/dbraw/zinc/20/50/15/355205015.db2.gz GTXOPLKLOZLYPH-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)on1 ZINC000335280505 355244267 /nfs/dbraw/zinc/24/42/67/355244267.db2.gz UAPSTIMSMWDNHX-GFCCVEGCSA-N 2 1 249.358 1.947 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000166226180 355336875 /nfs/dbraw/zinc/33/68/75/355336875.db2.gz UNJXXNKNLHQCIW-CMPLNLGQSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000582181237 355645450 /nfs/dbraw/zinc/64/54/50/355645450.db2.gz MPMZZMUVODCQDS-IUCAKERBSA-N 2 1 240.376 1.115 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000582181237 355645454 /nfs/dbraw/zinc/64/54/54/355645454.db2.gz MPMZZMUVODCQDS-IUCAKERBSA-N 2 1 240.376 1.115 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](C(C)C)C1 ZINC000350216190 355650151 /nfs/dbraw/zinc/65/01/51/355650151.db2.gz PBKLWSUDBBUUAK-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP COCC1(C[N@@H+](C)CC2CN(C)C2)CCC1 ZINC000639310671 355665619 /nfs/dbraw/zinc/66/56/19/355665619.db2.gz VLPWHDJJGHLSGI-UHFFFAOYSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000166570294 355694440 /nfs/dbraw/zinc/69/44/40/355694440.db2.gz FPNVRWXROHUTAE-CYBMUJFWSA-N 2 1 228.380 1.731 20 0 BDADMP OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000335887784 355679494 /nfs/dbraw/zinc/67/94/94/355679494.db2.gz HKEMUTUKPCBOCH-UHFFFAOYSA-N 2 1 249.358 1.391 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000167424890 355993599 /nfs/dbraw/zinc/99/35/99/355993599.db2.gz XWMGECKOFHNHEE-QWHCGFSZSA-N 2 1 228.380 1.633 20 0 BDADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166961379 355945070 /nfs/dbraw/zinc/94/50/70/355945070.db2.gz SPPSXPBPGVCRJS-NEPJUHHUSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccnn1C ZINC000192249732 356078058 /nfs/dbraw/zinc/07/80/58/356078058.db2.gz JRCNPMXQMBPFOY-NWDGAFQWSA-N 2 1 248.374 1.555 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccnn1C ZINC000192249732 356078061 /nfs/dbraw/zinc/07/80/61/356078061.db2.gz JRCNPMXQMBPFOY-NWDGAFQWSA-N 2 1 248.374 1.555 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000335919115 356165604 /nfs/dbraw/zinc/16/56/04/356165604.db2.gz IKJIXAQIBITZQU-AAEUAGOBSA-N 2 1 236.363 1.192 20 0 BDADMP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnn(C)c1 ZINC000335919115 356165606 /nfs/dbraw/zinc/16/56/06/356165606.db2.gz IKJIXAQIBITZQU-AAEUAGOBSA-N 2 1 236.363 1.192 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000420265418 192193415 /nfs/dbraw/zinc/19/34/15/192193415.db2.gz QAABTQUTSYEBDU-IUCAKERBSA-N 2 1 246.318 1.118 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000420318534 192195014 /nfs/dbraw/zinc/19/50/14/192195014.db2.gz QCUAZTXAQCNBOP-MELADBBJSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]C[C@H](C)CNc1nc(C)[nH+]c(C)c1C ZINC000420219108 192193812 /nfs/dbraw/zinc/19/38/12/192193812.db2.gz YKYNPNPXOIBMGX-QMMMGPOBSA-N 2 1 222.336 1.091 20 0 BDADMP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000420262122 192191209 /nfs/dbraw/zinc/19/12/09/192191209.db2.gz LXUMTDJVPNSVNB-QWRGUYRKSA-N 2 1 249.362 1.036 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CN ZINC000420296599 192205585 /nfs/dbraw/zinc/20/55/85/192205585.db2.gz XFZZBKVIPZHARS-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000420296599 192205588 /nfs/dbraw/zinc/20/55/88/192205588.db2.gz XFZZBKVIPZHARS-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000336128278 134093792 /nfs/dbraw/zinc/09/37/92/134093792.db2.gz PNRCWYOECYHXEF-SNVBAGLBSA-N 2 1 223.320 1.542 20 0 BDADMP C[C@H](C[NH3+])[N@H+](C)CC[C@@H]1CCCCO1 ZINC000420285713 192199445 /nfs/dbraw/zinc/19/94/45/192199445.db2.gz FPBXDLXCXNGARE-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H](C[NH3+])[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000420285713 192199447 /nfs/dbraw/zinc/19/94/47/192199447.db2.gz FPBXDLXCXNGARE-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639490308 356308042 /nfs/dbraw/zinc/30/80/42/356308042.db2.gz WOBPZHWSGYPUFD-GFCCVEGCSA-N 2 1 235.331 1.171 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420285601 192199935 /nfs/dbraw/zinc/19/99/35/192199935.db2.gz FGQMZUXYLZNHPA-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420285601 192199938 /nfs/dbraw/zinc/19/99/38/192199938.db2.gz FGQMZUXYLZNHPA-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)N1 ZINC000420291407 192203440 /nfs/dbraw/zinc/20/34/40/192203440.db2.gz KKZZKZYJTKNWOP-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000420291407 192203442 /nfs/dbraw/zinc/20/34/42/192203442.db2.gz KKZZKZYJTKNWOP-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420318082 192215159 /nfs/dbraw/zinc/21/51/59/192215159.db2.gz VQUFMBLOHLGTQP-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345542 192215499 /nfs/dbraw/zinc/21/54/99/192215499.db2.gz VQNZFNSYLOFEOY-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345542 192215503 /nfs/dbraw/zinc/21/55/03/192215503.db2.gz VQNZFNSYLOFEOY-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345540 192216330 /nfs/dbraw/zinc/21/63/30/192216330.db2.gz VQNZFNSYLOFEOY-MELADBBJSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345540 192216331 /nfs/dbraw/zinc/21/63/31/192216331.db2.gz VQNZFNSYLOFEOY-MELADBBJSA-N 3 1 237.391 1.060 20 0 BDADMP Cc1ccccc1CCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349604 192217277 /nfs/dbraw/zinc/21/72/77/192217277.db2.gz DHWKVIJJPSERBJ-CQSZACIVSA-N 2 1 236.359 1.179 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[C@H]([NH3+])[C@@H]1C ZINC000420350323 192217946 /nfs/dbraw/zinc/21/79/46/192217946.db2.gz GNRGEGHOSJZANO-JQWIXIFHSA-N 2 1 222.336 1.003 20 0 BDADMP CCc1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420352279 192218460 /nfs/dbraw/zinc/21/84/60/192218460.db2.gz MDFUXRDBXHJQMC-ZDUSSCGKSA-N 2 1 222.332 1.000 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420312897 192210229 /nfs/dbraw/zinc/21/02/29/192210229.db2.gz JBNHJXMBFJJRTR-LBPRGKRZSA-N 2 1 242.363 1.531 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420310887 192211292 /nfs/dbraw/zinc/21/12/92/192211292.db2.gz QHBGVFNJNWOBJL-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP CCC[C@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000420310887 192211295 /nfs/dbraw/zinc/21/12/95/192211295.db2.gz QHBGVFNJNWOBJL-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP c1cnn([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000420316176 192212130 /nfs/dbraw/zinc/21/21/30/192212130.db2.gz LLADMKJTPKRDFY-UONOGXRCSA-N 2 1 248.374 1.520 20 0 BDADMP C[C@@H]1[C@H](C)NCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420315861 192212677 /nfs/dbraw/zinc/21/26/77/192212677.db2.gz SBIOGFCUXHULIB-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000420315861 192212680 /nfs/dbraw/zinc/21/26/80/192212680.db2.gz SBIOGFCUXHULIB-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP CCOC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420317452 192212711 /nfs/dbraw/zinc/21/27/11/192212711.db2.gz OQJPHJPBGCMPMZ-NSHDSACASA-N 2 1 228.336 1.143 20 0 BDADMP C[C@H]([NH3+])CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000420367855 192225742 /nfs/dbraw/zinc/22/57/42/192225742.db2.gz WILSLBUBBMCORJ-ONGXEEELSA-N 2 1 249.362 1.209 20 0 BDADMP CCC[C@](C)([NH2+]CC[C@@H]1CC[NH2+]C1)C(=O)OC ZINC000420368231 192226208 /nfs/dbraw/zinc/22/62/08/192226208.db2.gz HUQMHBMAIYVYBR-AAEUAGOBSA-N 2 1 242.363 1.307 20 0 BDADMP COC(=O)CCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420367148 192226327 /nfs/dbraw/zinc/22/63/27/192226327.db2.gz MPGYKUVSOGFJCW-LBPRGKRZSA-N 2 1 242.363 1.437 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324885 192228841 /nfs/dbraw/zinc/22/88/41/192228841.db2.gz VPDJHLRXZHCAOU-ZIAGYGMSSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324885 192228842 /nfs/dbraw/zinc/22/88/42/192228842.db2.gz VPDJHLRXZHCAOU-ZIAGYGMSSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324885 192228844 /nfs/dbraw/zinc/22/88/44/192228844.db2.gz VPDJHLRXZHCAOU-ZIAGYGMSSA-N 3 1 239.407 1.260 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324980 192228912 /nfs/dbraw/zinc/22/89/12/192228912.db2.gz HTICSNMMVPMNRA-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@H]1CCCCO1 ZINC000420372480 192229522 /nfs/dbraw/zinc/22/95/22/192229522.db2.gz XYLULKYVNJPZLU-NEPJUHHUSA-N 2 1 228.380 1.909 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000420358060 192220483 /nfs/dbraw/zinc/22/04/83/192220483.db2.gz IZKFSSNGXTWEJX-NSHDSACASA-N 2 1 242.363 1.117 20 0 BDADMP CCC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420355722 192220740 /nfs/dbraw/zinc/22/07/40/192220740.db2.gz FQQUDZPKYAMPKE-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359380 192221259 /nfs/dbraw/zinc/22/12/59/192221259.db2.gz VUNPQNIZZWRGDX-QWHCGFSZSA-N 2 1 240.322 1.528 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1cccnc1 ZINC000420360901 192221313 /nfs/dbraw/zinc/22/13/13/192221313.db2.gz HOSALTRQDPIWKT-YRGRVCCFSA-N 2 1 233.359 1.600 20 0 BDADMP COCCCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420359728 192221355 /nfs/dbraw/zinc/22/13/55/192221355.db2.gz KGUBDASBCYUMBU-JTQLQIEISA-N 2 1 202.342 1.376 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCOC1)C1CCCCC1 ZINC000420364324 192223271 /nfs/dbraw/zinc/22/32/71/192223271.db2.gz KHCFUTUCMSYLRH-YPMHNXCESA-N 2 1 226.364 1.520 20 0 BDADMP COCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420383695 192234502 /nfs/dbraw/zinc/23/45/02/192234502.db2.gz DNRSSHIOGOYZMU-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000420381527 192235170 /nfs/dbraw/zinc/23/51/70/192235170.db2.gz XOFOWPBQRCQZKE-DOMZBBRYSA-N 2 1 248.370 1.920 20 0 BDADMP C[N@H+]1CC[C@@H](NCCC[NH3+])[C@H]1c1ccccc1 ZINC000420390636 192236120 /nfs/dbraw/zinc/23/61/20/192236120.db2.gz ABXPQFIKPOBOBX-ZIAGYGMSSA-N 2 1 233.359 1.370 20 0 BDADMP COCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390129 192236212 /nfs/dbraw/zinc/23/62/12/192236212.db2.gz XZMAXIMUFMYIPR-CYBMUJFWSA-N 2 1 226.364 1.489 20 0 BDADMP C[N@H+]1CC[C@H](NCCC[NH3+])[C@@H]1c1ccccc1 ZINC000420390629 192236272 /nfs/dbraw/zinc/23/62/72/192236272.db2.gz ABXPQFIKPOBOBX-KBPBESRZSA-N 2 1 233.359 1.370 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000420411540 192239485 /nfs/dbraw/zinc/23/94/85/192239485.db2.gz RVFANXZISXYXND-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP COCCCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420381226 192233640 /nfs/dbraw/zinc/23/36/40/192233640.db2.gz ZBICWHCIYBKPLN-RWMBFGLXSA-N 2 1 228.380 1.779 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631180707 356455235 /nfs/dbraw/zinc/45/52/35/356455235.db2.gz IJTAUJPVLLSUFK-ZDUSSCGKSA-N 2 1 249.358 1.609 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(C)n1 ZINC000639551053 356433818 /nfs/dbraw/zinc/43/38/18/356433818.db2.gz GHQGJWIABMFKSS-YPMHNXCESA-N 2 1 234.343 1.962 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000639635964 356550607 /nfs/dbraw/zinc/55/06/07/356550607.db2.gz WFGREMSAOPYHHX-WCQYABFASA-N 2 1 237.347 1.103 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@]12CCOC2 ZINC000421016935 192304308 /nfs/dbraw/zinc/30/43/08/192304308.db2.gz JOAPGSKLNXWDLT-CHWSQXEVSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]12CCOC2 ZINC000421016935 192304310 /nfs/dbraw/zinc/30/43/10/192304310.db2.gz JOAPGSKLNXWDLT-CHWSQXEVSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]12CCOC2 ZINC000421016935 192304312 /nfs/dbraw/zinc/30/43/12/192304312.db2.gz JOAPGSKLNXWDLT-CHWSQXEVSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]12CCOC2 ZINC000421016935 192304313 /nfs/dbraw/zinc/30/43/13/192304313.db2.gz JOAPGSKLNXWDLT-CHWSQXEVSA-N 2 1 224.348 1.336 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682662 356593642 /nfs/dbraw/zinc/59/36/42/356593642.db2.gz IACXLKDBVMYUHR-CQSZACIVSA-N 2 1 249.358 1.365 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCc2cncn2C)C[C@H]1C ZINC000639663566 356577287 /nfs/dbraw/zinc/57/72/87/356577287.db2.gz PRAIOJIRXZRCNN-DGCLKSJQSA-N 2 1 237.347 1.319 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422999455 192522456 /nfs/dbraw/zinc/52/24/56/192522456.db2.gz FDWJARSPCVOWAF-NEPJUHHUSA-N 2 1 228.380 1.373 20 0 BDADMP CC[N@@H+]1[C@H](C)CN(C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000639742418 356631688 /nfs/dbraw/zinc/63/16/88/356631688.db2.gz LVYFCKLXNOGIPK-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1[C@H](C)CN(C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000639742418 356631693 /nfs/dbraw/zinc/63/16/93/356631693.db2.gz LVYFCKLXNOGIPK-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1[C@H](C)CN(C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000639742418 356631694 /nfs/dbraw/zinc/63/16/94/356631694.db2.gz LVYFCKLXNOGIPK-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP Cn1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639756595 356662309 /nfs/dbraw/zinc/66/23/09/356662309.db2.gz YAKUERCBFCUDGJ-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287696 356657176 /nfs/dbraw/zinc/65/71/76/356657176.db2.gz UYDQLEJYHAWGNK-TXEJJXNPSA-N 2 1 220.291 1.477 20 0 BDADMP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287696 356657177 /nfs/dbraw/zinc/65/71/77/356657177.db2.gz UYDQLEJYHAWGNK-TXEJJXNPSA-N 2 1 220.291 1.477 20 0 BDADMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)co1 ZINC000639755834 356659158 /nfs/dbraw/zinc/65/91/58/356659158.db2.gz OKVYGZQFMVFSIG-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccncc3)C2)CC1 ZINC000639758950 356670245 /nfs/dbraw/zinc/67/02/45/356670245.db2.gz YKNLTRGHCRFWCF-UHFFFAOYSA-N 2 1 245.370 1.999 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3CCCO3)C2)CC1 ZINC000639760638 356675863 /nfs/dbraw/zinc/67/58/63/356675863.db2.gz YLVAWDUAUCBJDD-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167791056 134154361 /nfs/dbraw/zinc/15/43/61/134154361.db2.gz VWJQNUIRWKETFM-KGLIPLIRSA-N 2 1 242.407 1.966 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2CCCC2)C1 ZINC000639767755 356697615 /nfs/dbraw/zinc/69/76/15/356697615.db2.gz RTKMOPVGKVKTJW-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CCCC2)C1 ZINC000639767755 356697616 /nfs/dbraw/zinc/69/76/16/356697616.db2.gz RTKMOPVGKVKTJW-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2CCCC2)C1 ZINC000639767756 356697748 /nfs/dbraw/zinc/69/77/48/356697748.db2.gz RTKMOPVGKVKTJW-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2CCCC2)C1 ZINC000639767756 356697752 /nfs/dbraw/zinc/69/77/52/356697752.db2.gz RTKMOPVGKVKTJW-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768608 356699438 /nfs/dbraw/zinc/69/94/38/356699438.db2.gz UGQMDPASUVERKW-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768608 356699441 /nfs/dbraw/zinc/69/94/41/356699441.db2.gz UGQMDPASUVERKW-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336371 356724031 /nfs/dbraw/zinc/72/40/31/356724031.db2.gz LPHPXTSIMUZOKI-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000450474830 202176859 /nfs/dbraw/zinc/17/68/59/202176859.db2.gz SPJGXERBZXFFAG-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000450474830 202176862 /nfs/dbraw/zinc/17/68/62/202176862.db2.gz SPJGXERBZXFFAG-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000450474830 202176865 /nfs/dbraw/zinc/17/68/65/202176865.db2.gz SPJGXERBZXFFAG-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000450474829 202177292 /nfs/dbraw/zinc/17/72/92/202177292.db2.gz SPJGXERBZXFFAG-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000450474829 202177295 /nfs/dbraw/zinc/17/72/95/202177295.db2.gz SPJGXERBZXFFAG-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000450474829 202177296 /nfs/dbraw/zinc/17/72/96/202177296.db2.gz SPJGXERBZXFFAG-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000450474831 202177841 /nfs/dbraw/zinc/17/78/41/202177841.db2.gz SPJGXERBZXFFAG-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000450474831 202177843 /nfs/dbraw/zinc/17/78/43/202177843.db2.gz SPJGXERBZXFFAG-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000450474831 202177845 /nfs/dbraw/zinc/17/78/45/202177845.db2.gz SPJGXERBZXFFAG-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C(C)C)C(C)(C)O)CC1 ZINC000357791786 356847052 /nfs/dbraw/zinc/84/70/52/356847052.db2.gz CPYBCWLVXIRRLN-ZDUSSCGKSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358227317 356862844 /nfs/dbraw/zinc/86/28/44/356862844.db2.gz DPHMEFPXYKMBKX-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358227317 356862849 /nfs/dbraw/zinc/86/28/49/356862849.db2.gz DPHMEFPXYKMBKX-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2COC2)CC1(C)C ZINC000623760454 356915042 /nfs/dbraw/zinc/91/50/42/356915042.db2.gz AWUQREORLWZELY-LLVKDONJSA-N 2 1 212.337 1.095 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000423209277 192629140 /nfs/dbraw/zinc/62/91/40/192629140.db2.gz IVUVZGAPMPAKRE-VXGBXAGGSA-N 2 1 236.363 1.553 20 0 BDADMP CO[C@@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623396476 357021036 /nfs/dbraw/zinc/02/10/36/357021036.db2.gz TWVNGFFVWZHKAS-NWDGAFQWSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423243708 192648714 /nfs/dbraw/zinc/64/87/14/192648714.db2.gz WYUDHAORDJHPCD-OLZOCXBDSA-N 2 1 236.363 1.249 20 0 BDADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623403136 357066731 /nfs/dbraw/zinc/06/67/31/357066731.db2.gz LBBYITURGHCWDC-RYUDHWBXSA-N 2 1 227.396 1.399 20 0 BDADMP CCOC[C@H]1CCC[C@H]1[NH2+]CC[NH2+]C ZINC000423235393 192644739 /nfs/dbraw/zinc/64/47/39/192644739.db2.gz ASCWXEAADCRRSC-GHMZBOCLSA-N 2 1 200.326 1.001 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000423295258 192683733 /nfs/dbraw/zinc/68/37/33/192683733.db2.gz DTWUEGVPMHIEPB-SDDRHHMPSA-N 2 1 214.353 1.661 20 0 BDADMP CC[N@H+](CCNc1cc(C)[nH+]c(C)n1)C(C)C ZINC000357260160 538827094 /nfs/dbraw/zinc/82/70/94/538827094.db2.gz IBEBSUPHAUWMMN-UHFFFAOYSA-N 2 1 236.363 1.658 20 0 BDADMP CC[N@@H+](CCNc1cc(C)[nH+]c(C)n1)C(C)C ZINC000357260160 538827098 /nfs/dbraw/zinc/82/70/98/538827098.db2.gz IBEBSUPHAUWMMN-UHFFFAOYSA-N 2 1 236.363 1.658 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CCCC[NH3+] ZINC000582664386 357358138 /nfs/dbraw/zinc/35/81/38/357358138.db2.gz LAZJRSDPYZHWSU-LBPRGKRZSA-N 2 1 243.395 1.352 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000582912803 357433981 /nfs/dbraw/zinc/43/39/81/357433981.db2.gz IEJDRPVOZZGNAT-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000582912803 357433985 /nfs/dbraw/zinc/43/39/85/357433985.db2.gz IEJDRPVOZZGNAT-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000582912803 357433991 /nfs/dbraw/zinc/43/39/91/357433991.db2.gz IEJDRPVOZZGNAT-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000582912803 357433995 /nfs/dbraw/zinc/43/39/95/357433995.db2.gz IEJDRPVOZZGNAT-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000131716703 325179485 /nfs/dbraw/zinc/17/94/85/325179485.db2.gz SJMMXOGDWAMKGI-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CC(C)C ZINC000396822199 357484695 /nfs/dbraw/zinc/48/46/95/357484695.db2.gz CMROZPUUGLZAST-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396842752 357485503 /nfs/dbraw/zinc/48/55/03/357485503.db2.gz DUNKINQLXPVKDD-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CC[N@H+]1C ZINC000230898249 357578210 /nfs/dbraw/zinc/57/82/10/357578210.db2.gz WKWUASWJAZLGAA-YPMHNXCESA-N 2 1 236.363 1.035 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CO)C1 ZINC000191407792 357768991 /nfs/dbraw/zinc/76/89/91/357768991.db2.gz JKLIPDZKFQKLFC-ZDUSSCGKSA-N 2 1 228.380 1.423 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@H+]1CCCOCC1 ZINC000192846749 357857088 /nfs/dbraw/zinc/85/70/88/357857088.db2.gz HGXWCHJPJWYNPV-UHFFFAOYSA-N 2 1 235.331 1.524 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000583747934 357933381 /nfs/dbraw/zinc/93/33/81/357933381.db2.gz KEJRCTZVSXVYIF-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000218640152 357962656 /nfs/dbraw/zinc/96/26/56/357962656.db2.gz BMVLYLSTWRTXSL-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cscn1 ZINC000219311451 357994960 /nfs/dbraw/zinc/99/49/60/357994960.db2.gz SDTJVDWWVHNWSQ-SNVBAGLBSA-N 2 1 243.376 1.372 20 0 BDADMP C[C@H](O)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000037687783 358091950 /nfs/dbraw/zinc/09/19/50/358091950.db2.gz NUGXNGJSFXYIAC-ZDUSSCGKSA-N 2 1 236.359 1.479 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1C ZINC000134027684 325338455 /nfs/dbraw/zinc/33/84/55/325338455.db2.gz LKAHILGNLWQVRO-QWHCGFSZSA-N 2 1 240.391 1.754 20 0 BDADMP CC[C@]1(O)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000640036878 358136814 /nfs/dbraw/zinc/13/68/14/358136814.db2.gz YOOIRUZQSVECBD-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(O)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000640036878 358136816 /nfs/dbraw/zinc/13/68/16/358136816.db2.gz YOOIRUZQSVECBD-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(O)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000640036878 358136820 /nfs/dbraw/zinc/13/68/20/358136820.db2.gz YOOIRUZQSVECBD-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1[nH+]ccn1C/C=C/Cn1cc[nH+]c1C ZINC000584733712 358164850 /nfs/dbraw/zinc/16/48/50/358164850.db2.gz QUBSLFSGDUDXDQ-ONEGZZNKSA-N 2 1 216.288 1.953 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000223011874 358214043 /nfs/dbraw/zinc/21/40/43/358214043.db2.gz XDLISCMFUQDNKA-OLZOCXBDSA-N 2 1 239.407 1.720 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000225713750 358331619 /nfs/dbraw/zinc/33/16/19/358331619.db2.gz XBBCLTDJDKWVKL-RYUDHWBXSA-N 2 1 214.353 1.330 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000045038841 358400685 /nfs/dbraw/zinc/40/06/85/358400685.db2.gz RNMSDKUJCBRMHA-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623428299 358445342 /nfs/dbraw/zinc/44/53/42/358445342.db2.gz FVJHOTUNGVTRIF-NEPJUHHUSA-N 2 1 228.380 1.610 20 0 BDADMP CCN1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000044515337 358550450 /nfs/dbraw/zinc/55/04/50/358550450.db2.gz AVGBHZDUZBYWMV-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683939 358551041 /nfs/dbraw/zinc/55/10/41/358551041.db2.gz KWNTWBGDRLZWRZ-ZDUSSCGKSA-N 2 1 237.391 1.297 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000130158252 358610230 /nfs/dbraw/zinc/61/02/30/358610230.db2.gz YSKLKVARBULHFK-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130126762 358610746 /nfs/dbraw/zinc/61/07/46/358610746.db2.gz VFEZPABTLHQQFR-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOCCC(C)C)C1 ZINC000053034246 358805896 /nfs/dbraw/zinc/80/58/96/358805896.db2.gz OGFSEWOHIHJPEH-ZDUSSCGKSA-N 2 1 228.380 1.590 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000053035176 358806124 /nfs/dbraw/zinc/80/61/24/358806124.db2.gz SXWPHJOXMKAILV-CQSZACIVSA-N 2 1 248.370 1.997 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H](C)CF)CC1 ZINC000308578918 491137182 /nfs/dbraw/zinc/13/71/82/491137182.db2.gz FRORVUFJLGHMLZ-SNVBAGLBSA-N 2 1 202.317 1.808 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000086403523 358967473 /nfs/dbraw/zinc/96/74/73/358967473.db2.gz POJINFDUBJXEJX-BDAKNGLRSA-N 2 1 211.334 1.503 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432510 358943421 /nfs/dbraw/zinc/94/34/21/358943421.db2.gz VUACWTPHYDPQHS-CHWSQXEVSA-N 2 1 242.407 1.856 20 0 BDADMP COCCC[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309629378 358949752 /nfs/dbraw/zinc/94/97/52/358949752.db2.gz HICAHBGXPKYBFV-LLVKDONJSA-N 2 1 225.336 1.367 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626393 359030975 /nfs/dbraw/zinc/03/09/75/359030975.db2.gz UQGSBULOSACKND-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000246445603 359090163 /nfs/dbraw/zinc/09/01/63/359090163.db2.gz OEWDKMXAAWOSJK-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000246487154 359119034 /nfs/dbraw/zinc/11/90/34/359119034.db2.gz AJIZQNVFCDFVBJ-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCO2)CC[N@H+]1C ZINC000246487154 359119040 /nfs/dbraw/zinc/11/90/40/359119040.db2.gz AJIZQNVFCDFVBJ-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCO2)CC[NH+]1C ZINC000246487154 359119042 /nfs/dbraw/zinc/11/90/42/359119042.db2.gz AJIZQNVFCDFVBJ-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCO2)CC[NH+]1C ZINC000246487154 359119047 /nfs/dbraw/zinc/11/90/47/359119047.db2.gz AJIZQNVFCDFVBJ-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCCO2)CC[N@@H+]1C ZINC000246938756 359175634 /nfs/dbraw/zinc/17/56/34/359175634.db2.gz QSMXXSKFLGZIMH-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCCO2)CC[N@H+]1C ZINC000246938756 359175636 /nfs/dbraw/zinc/17/56/36/359175636.db2.gz QSMXXSKFLGZIMH-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCCO2)CC[NH+]1C ZINC000246938756 359175642 /nfs/dbraw/zinc/17/56/42/359175642.db2.gz QSMXXSKFLGZIMH-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCCO2)CC[NH+]1C ZINC000246938756 359175647 /nfs/dbraw/zinc/17/56/47/359175647.db2.gz QSMXXSKFLGZIMH-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246962585 359177413 /nfs/dbraw/zinc/17/74/13/359177413.db2.gz BBHBRXFIWVQHJE-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000247186367 359200523 /nfs/dbraw/zinc/20/05/23/359200523.db2.gz VMTVFTDPBUCSTM-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000247230816 359203659 /nfs/dbraw/zinc/20/36/59/359203659.db2.gz YGXYBQFRVCBFAV-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623441341 359333847 /nfs/dbraw/zinc/33/38/47/359333847.db2.gz NVWSJZTVCBUNHM-VXGBXAGGSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC(C)CC1 ZINC000309056627 491143532 /nfs/dbraw/zinc/14/35/32/491143532.db2.gz RPMVRMDWHLHDDC-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000309056627 491143534 /nfs/dbraw/zinc/14/35/34/491143534.db2.gz RPMVRMDWHLHDDC-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000578368212 366541635 /nfs/dbraw/zinc/54/16/35/366541635.db2.gz HCHKBWQLYJREFB-TUAOUCFPSA-N 2 1 228.380 1.501 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000578519272 366587617 /nfs/dbraw/zinc/58/76/17/366587617.db2.gz URFKALBRYQJEHL-NSHDSACASA-N 2 1 243.314 1.200 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000578519272 366587622 /nfs/dbraw/zinc/58/76/22/366587622.db2.gz URFKALBRYQJEHL-NSHDSACASA-N 2 1 243.314 1.200 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C(C)C)C1COC1 ZINC000451122610 202360992 /nfs/dbraw/zinc/36/09/92/202360992.db2.gz ZXXLZBYYJHTBQV-UHFFFAOYSA-N 2 1 237.347 1.691 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C(C)C)C1COC1 ZINC000451122610 202360996 /nfs/dbraw/zinc/36/09/96/202360996.db2.gz ZXXLZBYYJHTBQV-UHFFFAOYSA-N 2 1 237.347 1.691 20 0 BDADMP C[C@@H](CN1CC[C@H](F)C1)C[N@@H+]1CC[C@@H](F)C1 ZINC000451200707 202379372 /nfs/dbraw/zinc/37/93/72/202379372.db2.gz SYGYMGLSSHJUNX-CNDDSTCGSA-N 2 1 232.318 1.710 20 0 BDADMP C[C@@H](CN1CC[C@H](F)C1)C[N@H+]1CC[C@@H](F)C1 ZINC000451200707 202379376 /nfs/dbraw/zinc/37/93/76/202379376.db2.gz SYGYMGLSSHJUNX-CNDDSTCGSA-N 2 1 232.318 1.710 20 0 BDADMP COCC1(CC[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000578652523 366620506 /nfs/dbraw/zinc/62/05/06/366620506.db2.gz BUGSVCWFYAZNBY-LLVKDONJSA-N 2 1 249.358 1.961 20 0 BDADMP COCC1(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000578652524 366620766 /nfs/dbraw/zinc/62/07/66/366620766.db2.gz BUGSVCWFYAZNBY-NSHDSACASA-N 2 1 249.358 1.961 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000089140139 359993163 /nfs/dbraw/zinc/99/31/63/359993163.db2.gz RLMMKGXGAVDKTE-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089147961 359993840 /nfs/dbraw/zinc/99/38/40/359993840.db2.gz GJSFYLZRJJHUBJ-OCCSQVGLSA-N 3 1 239.407 1.578 20 0 BDADMP CCc1cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000578872858 366663637 /nfs/dbraw/zinc/66/36/37/366663637.db2.gz CMJUFGDFYHVSNB-NSHDSACASA-N 2 1 237.347 1.798 20 0 BDADMP C([NH2+]C1CCCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000090714944 360085012 /nfs/dbraw/zinc/08/50/12/360085012.db2.gz RXOKRQOWJSFHCE-KGLIPLIRSA-N 2 1 238.375 1.772 20 0 BDADMP C([NH2+]C1CCCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000090714944 360085017 /nfs/dbraw/zinc/08/50/17/360085017.db2.gz RXOKRQOWJSFHCE-KGLIPLIRSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000094367421 360305353 /nfs/dbraw/zinc/30/53/53/360305353.db2.gz BODYDADEZQUBCS-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP CC[C@H]1C[N@H+](CC2(F)CC2)CC[C@H]1[NH3+] ZINC000306522239 360356027 /nfs/dbraw/zinc/35/60/27/360356027.db2.gz PKBBYDPTRZNYCL-VHSXEESVSA-N 2 1 200.301 1.548 20 0 BDADMP CC[C@H]1C[N@@H+](CC2(F)CC2)CC[C@H]1[NH3+] ZINC000306522239 360356034 /nfs/dbraw/zinc/35/60/34/360356034.db2.gz PKBBYDPTRZNYCL-VHSXEESVSA-N 2 1 200.301 1.548 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cn[nH]c1 ZINC000623474543 360410083 /nfs/dbraw/zinc/41/00/83/360410083.db2.gz FESPBCOCAAGVSF-ZYHUDNBSSA-N 2 1 236.363 1.933 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cn[nH]c1 ZINC000623474543 360410088 /nfs/dbraw/zinc/41/00/88/360410088.db2.gz FESPBCOCAAGVSF-ZYHUDNBSSA-N 2 1 236.363 1.933 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631199379 360764912 /nfs/dbraw/zinc/76/49/12/360764912.db2.gz PUZFNLWDLAMSAG-CHWSQXEVSA-N 2 1 242.407 2.000 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000629391000 361045518 /nfs/dbraw/zinc/04/55/18/361045518.db2.gz RAGRROYMEJNQSN-LSDHHAIUSA-N 2 1 230.355 1.884 20 0 BDADMP COC1CCC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629397370 361046851 /nfs/dbraw/zinc/04/68/51/361046851.db2.gz UGHBXGAERSXSMP-CQLXCSJHSA-N 2 1 226.364 1.674 20 0 BDADMP Nc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000629520024 361119986 /nfs/dbraw/zinc/11/99/86/361119986.db2.gz SITUCHVSGSTIJY-DRZSPHRISA-N 2 1 246.358 1.223 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000629507461 361105979 /nfs/dbraw/zinc/10/59/79/361105979.db2.gz FNSFTQOWMMAWDW-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@@H](C[N@H+]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000629507461 361105981 /nfs/dbraw/zinc/10/59/81/361105981.db2.gz FNSFTQOWMMAWDW-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccnc1N ZINC000629511872 361106364 /nfs/dbraw/zinc/10/63/64/361106364.db2.gz BQYZIYZYJBUTKF-LBPRGKRZSA-N 2 1 236.363 1.469 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccnc1N ZINC000629511872 361106368 /nfs/dbraw/zinc/10/63/68/361106368.db2.gz BQYZIYZYJBUTKF-LBPRGKRZSA-N 2 1 236.363 1.469 20 0 BDADMP Cc1ccncc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000629514798 361112866 /nfs/dbraw/zinc/11/28/66/361112866.db2.gz OYCXLSJYZGNYJQ-ZDUSSCGKSA-N 2 1 219.332 1.607 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](COC)C1CC1 ZINC000629526470 361128019 /nfs/dbraw/zinc/12/80/19/361128019.db2.gz VPPWURAUNRJFLG-TUAOUCFPSA-N 2 1 212.337 1.142 20 0 BDADMP CCSCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000158578358 361204780 /nfs/dbraw/zinc/20/47/80/361204780.db2.gz AKWSTVFHFIXRPW-ZJUUUORDSA-N 2 1 202.367 1.409 20 0 BDADMP CCSCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000158578959 361205691 /nfs/dbraw/zinc/20/56/91/361205691.db2.gz NEFYHUHYLDXJSM-MNOVXSKESA-N 2 1 216.394 1.799 20 0 BDADMP C[C@@H](CC[NH3+])NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000579006276 366694568 /nfs/dbraw/zinc/69/45/68/366694568.db2.gz XVQVKRMBOQMIDB-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579005278 366694729 /nfs/dbraw/zinc/69/47/29/366694729.db2.gz UGURLOVPAYJQMJ-MGPQQGTHSA-N 2 1 241.423 1.966 20 0 BDADMP CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1nccn1C ZINC000622045350 370680005 /nfs/dbraw/zinc/68/00/05/370680005.db2.gz OHXHOJZSAUCPAP-UWVGGRQHSA-N 2 1 210.325 1.198 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429142440 201074322 /nfs/dbraw/zinc/07/43/22/201074322.db2.gz NARRERLSRZFNAZ-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429142440 201074325 /nfs/dbraw/zinc/07/43/25/201074325.db2.gz NARRERLSRZFNAZ-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000429170451 201075540 /nfs/dbraw/zinc/07/55/40/201075540.db2.gz KTPCIJGBPHZVSH-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CCO[C@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CC1 ZINC000629539330 361404696 /nfs/dbraw/zinc/40/46/96/361404696.db2.gz WTFNMDOXPBTHDN-YUSALJHKSA-N 2 1 212.337 1.081 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CC1 ZINC000629539330 361404698 /nfs/dbraw/zinc/40/46/98/361404698.db2.gz WTFNMDOXPBTHDN-YUSALJHKSA-N 2 1 212.337 1.081 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629536600 361400016 /nfs/dbraw/zinc/40/00/16/361400016.db2.gz GXORDDOVJPQRLG-FRRDWIJNSA-N 2 1 228.380 1.922 20 0 BDADMP COCC1CCC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629535624 361409563 /nfs/dbraw/zinc/40/95/63/361409563.db2.gz CPZPNEXHMWENMU-BLYZHGLHSA-N 2 1 240.391 1.922 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545149 361425720 /nfs/dbraw/zinc/42/57/20/361425720.db2.gz AFNJCMILYYMAFB-QJPTWQEYSA-N 2 1 214.353 1.532 20 0 BDADMP Cc1cnc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)n1C ZINC000430173102 201148781 /nfs/dbraw/zinc/14/87/81/201148781.db2.gz YHEONOIOKFRCQA-CQSZACIVSA-N 2 1 248.374 1.256 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000629546833 361428848 /nfs/dbraw/zinc/42/88/48/361428848.db2.gz XWYFIPVAZWRIED-KIJLLGNVSA-N 2 1 238.375 1.530 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCCC2 ZINC000629553463 361439104 /nfs/dbraw/zinc/43/91/04/361439104.db2.gz QLVYJTMSYWWPDI-AGIUHOORSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542450 361419714 /nfs/dbraw/zinc/41/97/14/361419714.db2.gz ZPBHJIFWRXLNSG-WZRBSPASSA-N 2 1 222.332 1.941 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000629572329 361463983 /nfs/dbraw/zinc/46/39/83/361463983.db2.gz QLRWXVJIQGVWIL-KGLIPLIRSA-N 2 1 242.407 1.981 20 0 BDADMP FCC[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629580709 361469222 /nfs/dbraw/zinc/46/92/22/361469222.db2.gz FADQBMAXEHAUNY-OLZOCXBDSA-N 2 1 244.354 1.437 20 0 BDADMP CCOCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584721 361473324 /nfs/dbraw/zinc/47/33/24/361473324.db2.gz DSJJLLPZZFSBBW-BETUJISGSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1CC=CC1)C2 ZINC000629596380 361483238 /nfs/dbraw/zinc/48/32/38/361483238.db2.gz XVMOUVOYJWADHL-OKILXGFUSA-N 2 1 220.360 1.884 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)C1CC1 ZINC000629654431 361558449 /nfs/dbraw/zinc/55/84/49/361558449.db2.gz OLZRHEKOYVAPTQ-CQSZACIVSA-N 2 1 244.338 1.789 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1sccc1C ZINC000629654491 361558795 /nfs/dbraw/zinc/55/87/95/361558795.db2.gz XZZVVKUQPUVEHN-UHFFFAOYSA-N 2 1 242.388 1.724 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C/C=C\c1ccccc1 ZINC000629654801 361559227 /nfs/dbraw/zinc/55/92/27/361559227.db2.gz RRHWMJORYQTWOP-TWGQIWQCSA-N 2 1 248.370 1.868 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000629655169 361560460 /nfs/dbraw/zinc/56/04/60/361560460.db2.gz SXYRWEDIYSNUFR-GFCCVEGCSA-N 2 1 207.321 1.196 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000629655213 361560558 /nfs/dbraw/zinc/56/05/58/361560558.db2.gz UFNHXWLXMNVURE-CABCVRRESA-N 2 1 247.386 1.847 20 0 BDADMP Cn1ccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000629648415 361540705 /nfs/dbraw/zinc/54/07/05/361540705.db2.gz VKLXLPXHBIGTGQ-UHFFFAOYSA-N 2 1 221.348 1.776 20 0 BDADMP COCc1ccc(C[NH2+]C[C@@H](C)C[NH3+])o1 ZINC000629648326 361541305 /nfs/dbraw/zinc/54/13/05/361541305.db2.gz SGJPVTNLRGQJDC-VIFPVBQESA-N 2 1 212.293 1.110 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000152700807 201206115 /nfs/dbraw/zinc/20/61/15/201206115.db2.gz MCIPNWTVVYUXSN-SDDRHHMPSA-N 2 1 214.353 1.484 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152700807 201206119 /nfs/dbraw/zinc/20/61/19/201206119.db2.gz MCIPNWTVVYUXSN-SDDRHHMPSA-N 2 1 214.353 1.484 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCCC1 ZINC000629650013 361546524 /nfs/dbraw/zinc/54/65/24/361546524.db2.gz OHNRRSRVBHESTQ-GXTWGEPZSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@H]1CCC[N@H+](CC2=CCCOC2)[C@@H]1C[NH3+] ZINC000629652089 361549329 /nfs/dbraw/zinc/54/93/29/361549329.db2.gz VUJWULKDGHDBMQ-WCQYABFASA-N 2 1 224.348 1.392 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2=CCCOC2)[C@@H]1C[NH3+] ZINC000629652089 361549331 /nfs/dbraw/zinc/54/93/31/361549331.db2.gz VUJWULKDGHDBMQ-WCQYABFASA-N 2 1 224.348 1.392 20 0 BDADMP Cn1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000629652004 361550024 /nfs/dbraw/zinc/55/00/24/361550024.db2.gz SGJBDUDVSWXPIY-PBWFPOADSA-N 2 1 233.359 1.740 20 0 BDADMP Cc1cc(F)ccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629662957 361595535 /nfs/dbraw/zinc/59/55/35/361595535.db2.gz IPRRMYKTPGOGGK-UHFFFAOYSA-N 2 1 240.322 1.541 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@H](C)C1 ZINC000153082520 201218621 /nfs/dbraw/zinc/21/86/21/201218621.db2.gz VEKWWMHJTALQDO-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@](C)([NH2+]CCC[NH+]1CCCCC1)C(N)=O ZINC000161902488 201230835 /nfs/dbraw/zinc/23/08/35/201230835.db2.gz YZFYCVNSRIYOMD-CYBMUJFWSA-N 2 1 241.379 1.106 20 0 BDADMP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+][C@H]2C)cn1 ZINC000629672617 361613921 /nfs/dbraw/zinc/61/39/21/361613921.db2.gz XDWSTFROBJAMLY-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000434764249 201235769 /nfs/dbraw/zinc/23/57/69/201235769.db2.gz IHPPVYXLIVMQBF-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000434764249 201235772 /nfs/dbraw/zinc/23/57/72/201235772.db2.gz IHPPVYXLIVMQBF-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000435389439 201266340 /nfs/dbraw/zinc/26/63/40/201266340.db2.gz MGEWHLCPLQNTJU-CQSZACIVSA-N 2 1 236.359 1.525 20 0 BDADMP CCOCCC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435630670 201279986 /nfs/dbraw/zinc/27/99/86/201279986.db2.gz YIFFAKYXBAOWIR-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+]1C ZINC000154568743 201283095 /nfs/dbraw/zinc/28/30/95/201283095.db2.gz MZQCBTLRXTZREW-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000154568743 201283100 /nfs/dbraw/zinc/28/31/00/201283100.db2.gz MZQCBTLRXTZREW-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000154568743 201283104 /nfs/dbraw/zinc/28/31/04/201283104.db2.gz MZQCBTLRXTZREW-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000154568743 201283106 /nfs/dbraw/zinc/28/31/06/201283106.db2.gz MZQCBTLRXTZREW-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000154568743 201283109 /nfs/dbraw/zinc/28/31/09/201283109.db2.gz MZQCBTLRXTZREW-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000154558470 201283400 /nfs/dbraw/zinc/28/34/00/201283400.db2.gz ANAPOPCTAAQWFF-ZYHUDNBSSA-N 2 1 241.379 1.103 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000161933130 201304558 /nfs/dbraw/zinc/30/45/58/201304558.db2.gz JPOITCUOWQMBAR-AXFHLTTASA-N 2 1 216.394 1.810 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000435884983 201295333 /nfs/dbraw/zinc/29/53/33/201295333.db2.gz ZHHAMYADXGYTDM-LBPRGKRZSA-N 2 1 236.363 1.209 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCCC[NH3+])C1 ZINC000437795882 201373571 /nfs/dbraw/zinc/37/35/71/201373571.db2.gz HHWPYKFTMNOIPF-UKRRQHHQSA-N 2 1 247.386 1.760 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC000438090053 201388594 /nfs/dbraw/zinc/38/85/94/201388594.db2.gz ACUGZUOHKYGAMX-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000438090053 201388597 /nfs/dbraw/zinc/38/85/97/201388597.db2.gz ACUGZUOHKYGAMX-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438090053 201388600 /nfs/dbraw/zinc/38/86/00/201388600.db2.gz ACUGZUOHKYGAMX-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156093610 201398721 /nfs/dbraw/zinc/39/87/21/201398721.db2.gz USLBHJZIYQYGLI-GRYCIOLGSA-N 2 1 214.353 1.341 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438207651 201398894 /nfs/dbraw/zinc/39/88/94/201398894.db2.gz AEBULTOZUMXLBR-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP O[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C(F)F ZINC000631705882 363971002 /nfs/dbraw/zinc/97/10/02/363971002.db2.gz RWWPDPGUYAPOMG-LLVKDONJSA-N 2 1 248.317 1.219 20 0 BDADMP [NH3+]CC(F)(F)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000332430396 181357522 /nfs/dbraw/zinc/35/75/22/181357522.db2.gz VDHVMHFBSAGJTE-GARJFASQSA-N 2 1 247.333 1.091 20 0 BDADMP Cc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000080121188 370728145 /nfs/dbraw/zinc/72/81/45/370728145.db2.gz FRXUHUDZSNWNQJ-RYUDHWBXSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000080121175 370728485 /nfs/dbraw/zinc/72/84/85/370728485.db2.gz FRXUHUDZSNWNQJ-TXEJJXNPSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000080121175 370728489 /nfs/dbraw/zinc/72/84/89/370728489.db2.gz FRXUHUDZSNWNQJ-TXEJJXNPSA-N 2 1 217.316 1.041 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398952612 364279391 /nfs/dbraw/zinc/27/93/91/364279391.db2.gz FHBAKEDCGOJWGQ-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000134175511 364392682 /nfs/dbraw/zinc/39/26/82/364392682.db2.gz DEXYZMVVYNNAPC-GHMZBOCLSA-N 2 1 214.353 1.077 20 0 BDADMP CCc1cc(NC[C@@H](C)[NH+](C)C)nc(C)[nH+]1 ZINC000084082024 541358845 /nfs/dbraw/zinc/35/88/45/541358845.db2.gz KNHMLLOBWPGTGQ-SECBINFHSA-N 2 1 222.336 1.709 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356774749 366850497 /nfs/dbraw/zinc/85/04/97/366850497.db2.gz DHJIVJFAFABEGE-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C[NH2+]1 ZINC000398994563 364666892 /nfs/dbraw/zinc/66/68/92/364666892.db2.gz NXDZCYAVUYTQQW-UZEXVOJHSA-N 2 1 212.337 1.020 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399034813 364737179 /nfs/dbraw/zinc/73/71/79/364737179.db2.gz OAHIQJICFPGSMV-MNOVXSKESA-N 2 1 214.353 1.389 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000573315694 364795364 /nfs/dbraw/zinc/79/53/64/364795364.db2.gz SGHSHNBSTSLWTF-NWDGAFQWSA-N 3 1 213.369 1.093 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)CC(C)(C)C[NH3+] ZINC000328191097 364817264 /nfs/dbraw/zinc/81/72/64/364817264.db2.gz PKWHZRJNKJCTCF-RYUDHWBXSA-N 2 1 228.380 1.454 20 0 BDADMP Cc1[nH+]ccn1CCSCC1CC[NH2+]CC1 ZINC000573441434 364834142 /nfs/dbraw/zinc/83/41/42/364834142.db2.gz CKVLOSZFXRADQA-UHFFFAOYSA-N 2 1 239.388 1.924 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000573455268 364838323 /nfs/dbraw/zinc/83/83/23/364838323.db2.gz GKQFQAURZFOUKV-ONGXEEELSA-N 2 1 237.347 1.857 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000573455268 364838325 /nfs/dbraw/zinc/83/83/25/364838325.db2.gz GKQFQAURZFOUKV-ONGXEEELSA-N 2 1 237.347 1.857 20 0 BDADMP [NH3+]CCCC[NH+]1CCN(CC2CCCC2)CC1 ZINC000048732567 181376826 /nfs/dbraw/zinc/37/68/26/181376826.db2.gz WRJCELHWVMLVMF-UHFFFAOYSA-N 2 1 239.407 1.533 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)nc1 ZINC000168835124 365016822 /nfs/dbraw/zinc/01/68/22/365016822.db2.gz BKKGLUXPCKBNQH-NWDGAFQWSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)nc1 ZINC000168835124 365016826 /nfs/dbraw/zinc/01/68/26/365016826.db2.gz BKKGLUXPCKBNQH-NWDGAFQWSA-N 2 1 219.332 1.702 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000036128721 181380707 /nfs/dbraw/zinc/38/07/07/181380707.db2.gz NSFZAYGAVQVCNV-LBPRGKRZSA-N 2 1 205.305 1.567 20 0 BDADMP [NH3+]CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000037750151 181381227 /nfs/dbraw/zinc/38/12/27/181381227.db2.gz XEPPOVYKSQUSNP-QMMMGPOBSA-N 2 1 210.243 1.610 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000037750151 181381228 /nfs/dbraw/zinc/38/12/28/181381228.db2.gz XEPPOVYKSQUSNP-QMMMGPOBSA-N 2 1 210.243 1.610 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCc2ccccc2C1 ZINC000032013764 181399171 /nfs/dbraw/zinc/39/91/71/181399171.db2.gz YYOBBUVEYJOYTF-UHFFFAOYSA-N 2 1 220.316 1.020 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442924009 193004937 /nfs/dbraw/zinc/00/49/37/193004937.db2.gz XDQMIFJUBUGORY-GFCCVEGCSA-N 2 1 236.363 1.587 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)CCn1cccn1 ZINC000171940818 365260300 /nfs/dbraw/zinc/26/03/00/365260300.db2.gz ANDSYALWWGBHOZ-UHFFFAOYSA-N 2 1 238.379 1.547 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CCn1cccn1 ZINC000171940818 365260301 /nfs/dbraw/zinc/26/03/01/365260301.db2.gz ANDSYALWWGBHOZ-UHFFFAOYSA-N 2 1 238.379 1.547 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360242559 366918048 /nfs/dbraw/zinc/91/80/48/366918048.db2.gz PIEQDAZPTBSEOY-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360242559 366918052 /nfs/dbraw/zinc/91/80/52/366918052.db2.gz PIEQDAZPTBSEOY-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000360242559 366918055 /nfs/dbraw/zinc/91/80/55/366918055.db2.gz PIEQDAZPTBSEOY-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000360242559 366918063 /nfs/dbraw/zinc/91/80/63/366918063.db2.gz PIEQDAZPTBSEOY-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cncnc2)C1 ZINC000180041547 541506563 /nfs/dbraw/zinc/50/65/63/541506563.db2.gz GNOSSLQZIRIIBE-LBPRGKRZSA-N 2 1 234.347 1.250 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cncnc2)C1 ZINC000180041562 541507261 /nfs/dbraw/zinc/50/72/61/541507261.db2.gz GNOSSLQZIRIIBE-GFCCVEGCSA-N 2 1 234.347 1.250 20 0 BDADMP OCC1([NH2+]CC2CC2)CC[NH+](CC2CC2)CC1 ZINC000565050314 325848857 /nfs/dbraw/zinc/84/88/57/325848857.db2.gz ZRYAPEBAMBITGE-UHFFFAOYSA-N 2 1 238.375 1.223 20 0 BDADMP C[C@H]([NH2+]CCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709755 367140181 /nfs/dbraw/zinc/14/01/81/367140181.db2.gz BEJYEARRYAQAPZ-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000381028062 367336232 /nfs/dbraw/zinc/33/62/32/367336232.db2.gz YSOZUTUSNXUHOY-VXGBXAGGSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000381028062 367336242 /nfs/dbraw/zinc/33/62/42/367336242.db2.gz YSOZUTUSNXUHOY-VXGBXAGGSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000381053201 367344070 /nfs/dbraw/zinc/34/40/70/367344070.db2.gz IMBHQSGNHAZSJF-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1CCS[C@H](C)[C@@H]1C ZINC000381070298 367346501 /nfs/dbraw/zinc/34/65/01/367346501.db2.gz OBAYFRCOXKHGJN-TUAOUCFPSA-N 2 1 246.420 1.125 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000381070298 367346505 /nfs/dbraw/zinc/34/65/05/367346505.db2.gz OBAYFRCOXKHGJN-TUAOUCFPSA-N 2 1 246.420 1.125 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000381070298 367346511 /nfs/dbraw/zinc/34/65/11/367346511.db2.gz OBAYFRCOXKHGJN-TUAOUCFPSA-N 2 1 246.420 1.125 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000581185263 367286706 /nfs/dbraw/zinc/28/67/06/367286706.db2.gz NMOUJQFOKYAYEP-ZIAGYGMSSA-N 2 1 237.391 1.546 20 0 BDADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000381201808 367365240 /nfs/dbraw/zinc/36/52/40/367365240.db2.gz FKKQSQMLBLMTIF-CYBMUJFWSA-N 2 1 221.348 1.987 20 0 BDADMP CN(C)c1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000382077760 367484225 /nfs/dbraw/zinc/48/42/25/367484225.db2.gz LOSDRPFSDLSWHW-UHFFFAOYSA-N 2 1 221.348 1.533 20 0 BDADMP CC(C)OCCC[N@@H+](C)C1CC([NH3+])C1 ZINC000382885806 367565114 /nfs/dbraw/zinc/56/51/14/367565114.db2.gz TXVJJSOKBQAFMR-UHFFFAOYSA-N 2 1 200.326 1.223 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCC[NH3+] ZINC000382659668 367551595 /nfs/dbraw/zinc/55/15/95/367551595.db2.gz FEVWLZFFFQMOGT-AWEZNQCLSA-N 2 1 247.386 1.542 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000382842651 367563893 /nfs/dbraw/zinc/56/38/93/367563893.db2.gz WUNCLMALACLXMJ-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH+](C)CC1 ZINC000399134455 367646151 /nfs/dbraw/zinc/64/61/51/367646151.db2.gz PTEXZKSQKCBLTE-BZPMIXESSA-N 3 1 239.407 1.447 20 0 BDADMP CC(C)C1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000383787859 367652971 /nfs/dbraw/zinc/65/29/71/367652971.db2.gz QMJMHHVZWJISQZ-ZDUSSCGKSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)C1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000383787859 367652974 /nfs/dbraw/zinc/65/29/74/367652974.db2.gz QMJMHHVZWJISQZ-ZDUSSCGKSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)CN(C)CC ZINC000384040955 367670026 /nfs/dbraw/zinc/67/00/26/367670026.db2.gz UPKZBWHLPOTIBU-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000384040955 367670033 /nfs/dbraw/zinc/67/00/33/367670033.db2.gz UPKZBWHLPOTIBU-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000384040955 367670042 /nfs/dbraw/zinc/67/00/42/367670042.db2.gz UPKZBWHLPOTIBU-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000384040955 367670048 /nfs/dbraw/zinc/67/00/48/367670048.db2.gz UPKZBWHLPOTIBU-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000384040955 367670053 /nfs/dbraw/zinc/67/00/53/367670053.db2.gz UPKZBWHLPOTIBU-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C[NH2+]1 ZINC000399152277 367691433 /nfs/dbraw/zinc/69/14/33/367691433.db2.gz ZVWOGCUZURZPMS-BXUZGUMPSA-N 2 1 230.355 1.884 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)C2CC([NH3+])C2)c1C ZINC000384897536 367753256 /nfs/dbraw/zinc/75/32/56/367753256.db2.gz MTCLVDOOPSAZOX-UHFFFAOYSA-N 2 1 249.358 1.629 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000385248985 367813360 /nfs/dbraw/zinc/81/33/60/367813360.db2.gz WRVUTMPYGWPXAN-FDYHWXHSSA-N 2 1 242.407 1.854 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@H](C)O1 ZINC000385291261 367817459 /nfs/dbraw/zinc/81/74/59/367817459.db2.gz ZURUKHLBICIOJJ-UHXUPSOCSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@@H](C)O1 ZINC000385291242 367817849 /nfs/dbraw/zinc/81/78/49/367817849.db2.gz ZURUKHLBICIOJJ-BYNQJWBRSA-N 2 1 238.375 1.626 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSCC[C@@H]1C ZINC000385409386 367826499 /nfs/dbraw/zinc/82/64/99/367826499.db2.gz SWXFYMYJPRANSO-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSCC[C@@H]1C ZINC000385409386 367826503 /nfs/dbraw/zinc/82/65/03/367826503.db2.gz SWXFYMYJPRANSO-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385983827 367893273 /nfs/dbraw/zinc/89/32/73/367893273.db2.gz IFGYKDRFNMDHLQ-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386560245 367992645 /nfs/dbraw/zinc/99/26/45/367992645.db2.gz IXLINWAGASNMSG-WRWGMCAJSA-N 2 1 246.420 1.219 20 0 BDADMP C[C@H]([NH2+]CCSCCCO)[C@@H]1CCCC[NH2+]1 ZINC000386582489 367996927 /nfs/dbraw/zinc/99/69/27/367996927.db2.gz PGBFAEIJKKTCQE-RYUDHWBXSA-N 2 1 246.420 1.222 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386451799 367976325 /nfs/dbraw/zinc/97/63/25/367976325.db2.gz OBZUTOYEMXCVDE-KGLIPLIRSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566689803 326075412 /nfs/dbraw/zinc/07/54/12/326075412.db2.gz VKEDBPZXVWWSSW-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566689803 326075413 /nfs/dbraw/zinc/07/54/13/326075413.db2.gz VKEDBPZXVWWSSW-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)COC2)[C@H](C)C1 ZINC000164387915 203032184 /nfs/dbraw/zinc/03/21/84/203032184.db2.gz AWDSUEGGDNNFMY-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403680 368880079 /nfs/dbraw/zinc/88/00/79/368880079.db2.gz FZHHCERJGNSKHU-WOPDTQHZSA-N 3 1 213.369 1.186 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000623657732 368999814 /nfs/dbraw/zinc/99/98/14/368999814.db2.gz XQYBXVXKKWFJBJ-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000623657732 368999816 /nfs/dbraw/zinc/99/98/16/368999816.db2.gz XQYBXVXKKWFJBJ-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623655862 368991631 /nfs/dbraw/zinc/99/16/31/368991631.db2.gz HSVWJABQILJNHI-ZDUSSCGKSA-N 2 1 248.374 1.607 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000623655862 368991637 /nfs/dbraw/zinc/99/16/37/368991637.db2.gz HSVWJABQILJNHI-ZDUSSCGKSA-N 2 1 248.374 1.607 20 0 BDADMP C[C@H]1OCC[C@@H]1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000631827139 368992080 /nfs/dbraw/zinc/99/20/80/368992080.db2.gz GJXGMQFSTHLEAS-SYLRKERUSA-N 2 1 226.364 1.388 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1CCOCC1 ZINC000155772908 326211519 /nfs/dbraw/zinc/21/15/19/326211519.db2.gz LJCAHKNRQWJQSB-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1CCOCC1 ZINC000155772908 326211521 /nfs/dbraw/zinc/21/15/21/326211521.db2.gz LJCAHKNRQWJQSB-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1CCOCC1 ZINC000155772908 326211526 /nfs/dbraw/zinc/21/15/26/326211526.db2.gz LJCAHKNRQWJQSB-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCc2cn[nH]c2)CC1 ZINC000459346785 203264699 /nfs/dbraw/zinc/26/46/99/203264699.db2.gz BPTVQPJCFPTYHB-UHFFFAOYSA-N 2 1 236.363 1.368 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCc2cn[nH]c2)CC1 ZINC000459346785 203264702 /nfs/dbraw/zinc/26/47/02/203264702.db2.gz BPTVQPJCFPTYHB-UHFFFAOYSA-N 2 1 236.363 1.368 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1C[C@H]1C ZINC000401670114 369368550 /nfs/dbraw/zinc/36/85/50/369368550.db2.gz KUOIOOHNEFNFDB-FOGDFJRCSA-N 2 1 207.321 1.597 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1C[C@H]1C ZINC000401670115 369368916 /nfs/dbraw/zinc/36/89/16/369368916.db2.gz KUOIOOHNEFNFDB-JFGNBEQYSA-N 2 1 207.321 1.597 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459796777 203373811 /nfs/dbraw/zinc/37/38/11/203373811.db2.gz QQUNOTMZHDPPSK-RYUDHWBXSA-N 2 1 237.372 1.771 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459796777 203373814 /nfs/dbraw/zinc/37/38/14/203373814.db2.gz QQUNOTMZHDPPSK-RYUDHWBXSA-N 2 1 237.372 1.771 20 0 BDADMP c1cn(CCC[N@H+]2C[C@@H]3C[C@H]2CS3)cn1 ZINC000459794145 203369763 /nfs/dbraw/zinc/36/97/63/203369763.db2.gz MGAACABKHOMSAA-QWRGUYRKSA-N 2 1 223.345 1.463 20 0 BDADMP C(=C\c1ccccc1)\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453157 370044985 /nfs/dbraw/zinc/04/49/85/370044985.db2.gz BVOPXUCMTLNRSJ-MJQCEFOHSA-N 2 1 228.339 1.851 20 0 BDADMP CCOc1cncc(CNC[C@H]2CCC[N@@H+]2C)c1 ZINC000621331257 370264798 /nfs/dbraw/zinc/26/47/98/370264798.db2.gz XQMNJLOYCSLGAS-CYBMUJFWSA-N 2 1 249.358 1.664 20 0 BDADMP CCOc1cncc(CNC[C@H]2CCC[N@H+]2C)c1 ZINC000621331257 370264803 /nfs/dbraw/zinc/26/48/03/370264803.db2.gz XQMNJLOYCSLGAS-CYBMUJFWSA-N 2 1 249.358 1.664 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621372118 370309998 /nfs/dbraw/zinc/30/99/98/370309998.db2.gz PMPRXSGNPJCRQE-UONOGXRCSA-N 2 1 242.407 1.669 20 0 BDADMP CCn1cc(CC[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000621774335 370520166 /nfs/dbraw/zinc/52/01/66/370520166.db2.gz QZQJXSLBLGAOKC-UHFFFAOYSA-N 2 1 236.363 1.129 20 0 BDADMP CCn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784988 370537947 /nfs/dbraw/zinc/53/79/47/370537947.db2.gz XMBJFRXFAAQWPT-JSGCOSHPSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1nccc1CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784988 370537948 /nfs/dbraw/zinc/53/79/48/370537948.db2.gz XMBJFRXFAAQWPT-JSGCOSHPSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000621775569 370522769 /nfs/dbraw/zinc/52/27/69/370522769.db2.gz SAPPDESVNQCIMK-AAEUAGOBSA-N 2 1 236.363 1.115 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccn1 ZINC000621775794 370522822 /nfs/dbraw/zinc/52/28/22/370522822.db2.gz YYVXXWMFBUNHSI-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP COCCCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783169 370532399 /nfs/dbraw/zinc/53/23/99/370532399.db2.gz YBOIERITGPXYNS-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1C[C@H](NCc2ccc[nH]c2=O)C[N@@H+]1C1CC1 ZINC000623777950 371088855 /nfs/dbraw/zinc/08/88/55/371088855.db2.gz YGAMIDPUOIYWGR-PWSUYJOCSA-N 2 1 247.342 1.502 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624257541 371443590 /nfs/dbraw/zinc/44/35/90/371443590.db2.gz HKOOGPQXJIJSOH-UHFFFAOYSA-N 2 1 249.358 1.750 20 0 BDADMP Cn1cncc1CCNCc1cscn1 ZINC000401708748 371800658 /nfs/dbraw/zinc/80/06/58/371800658.db2.gz GNODURDVJKMFIB-UHFFFAOYSA-N 2 1 222.317 1.209 20 0 BDADMP CC(C)n1cc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000401783221 371817670 /nfs/dbraw/zinc/81/76/70/371817670.db2.gz RPAZXGPDNJNCIO-UHFFFAOYSA-N 2 1 247.346 1.530 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)F)CC[N@@H+]1C ZINC000631657509 372483203 /nfs/dbraw/zinc/48/32/03/372483203.db2.gz DPEPEJPWZUYUAO-UWVGGRQHSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)F)CC[N@H+]1C ZINC000631657509 372483211 /nfs/dbraw/zinc/48/32/11/372483211.db2.gz DPEPEJPWZUYUAO-UWVGGRQHSA-N 2 1 202.317 1.807 20 0 BDADMP CC[N@H+](Cc1nccnc1C)[C@H]1CCC[NH2+]CC1 ZINC000631823689 372602588 /nfs/dbraw/zinc/60/25/88/372602588.db2.gz LNDXHFCWYRHXBG-ZDUSSCGKSA-N 2 1 248.374 1.749 20 0 BDADMP CC[N@@H+](Cc1nccnc1C)[C@H]1CCC[NH2+]CC1 ZINC000631823689 372602593 /nfs/dbraw/zinc/60/25/93/372602593.db2.gz LNDXHFCWYRHXBG-ZDUSSCGKSA-N 2 1 248.374 1.749 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000631821113 372594904 /nfs/dbraw/zinc/59/49/04/372594904.db2.gz PGQVHRMIVMVSBS-MNOVXSKESA-N 2 1 212.337 1.095 20 0 BDADMP Cc1nccnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826330 372606311 /nfs/dbraw/zinc/60/63/11/372606311.db2.gz LCLVUTWEUISLCU-BETUJISGSA-N 2 1 246.358 1.216 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000631829655 372610376 /nfs/dbraw/zinc/61/03/76/372610376.db2.gz WZYAIWYTKQNGMI-MQYQWHSLSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000631834693 372620550 /nfs/dbraw/zinc/62/05/50/372620550.db2.gz DEXKVVSEUQDOAF-OLZOCXBDSA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000631834693 372620555 /nfs/dbraw/zinc/62/05/55/372620555.db2.gz DEXKVVSEUQDOAF-OLZOCXBDSA-N 2 1 226.364 1.759 20 0 BDADMP Cc1csc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631838778 372634040 /nfs/dbraw/zinc/63/40/40/372634040.db2.gz VAMZMQNJDFPUCD-PSASIEDQSA-N 2 1 225.361 1.478 20 0 BDADMP Cc1csc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631838778 372634045 /nfs/dbraw/zinc/63/40/45/372634045.db2.gz VAMZMQNJDFPUCD-PSASIEDQSA-N 2 1 225.361 1.478 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000631839067 372634568 /nfs/dbraw/zinc/63/45/68/372634568.db2.gz ZKLOXPIAMNSWPL-CMPLNLGQSA-N 2 1 222.307 1.852 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000631841071 372638392 /nfs/dbraw/zinc/63/83/92/372638392.db2.gz XUAIROFBYQHYAW-DGCLKSJQSA-N 2 1 219.332 1.151 20 0 BDADMP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000631825253 372604570 /nfs/dbraw/zinc/60/45/70/372604570.db2.gz DANZNPVJBDVRER-OKILXGFUSA-N 2 1 245.370 1.658 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000631825253 372604574 /nfs/dbraw/zinc/60/45/74/372604574.db2.gz DANZNPVJBDVRER-OKILXGFUSA-N 2 1 245.370 1.658 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000631826986 372605318 /nfs/dbraw/zinc/60/53/18/372605318.db2.gz BMFWTRJTNLYDKS-YUTCNCBUSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000631826339 372606227 /nfs/dbraw/zinc/60/62/27/372606227.db2.gz LHEAFVGYZAHRFM-LOWDOPEQSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000631826339 372606233 /nfs/dbraw/zinc/60/62/33/372606233.db2.gz LHEAFVGYZAHRFM-LOWDOPEQSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@H]([NH3+])C[C@@H]1C ZINC000631860853 372661690 /nfs/dbraw/zinc/66/16/90/372661690.db2.gz QUDVHJQVZRECRW-CMPLNLGQSA-N 2 1 222.336 1.003 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@@H]([NH3+])C[C@H]1C ZINC000631860855 372662457 /nfs/dbraw/zinc/66/24/57/372662457.db2.gz QUDVHJQVZRECRW-PWSUYJOCSA-N 2 1 222.336 1.003 20 0 BDADMP CCn1nccc1CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867257 372669181 /nfs/dbraw/zinc/66/91/81/372669181.db2.gz NWRKBJIJTZUPCN-OCCSQVGLSA-N 2 1 248.374 1.177 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1C ZINC000631880028 372678487 /nfs/dbraw/zinc/67/84/87/372678487.db2.gz LOTPHAWJRQFNAB-UONOGXRCSA-N 2 1 239.407 1.258 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631883897 372679771 /nfs/dbraw/zinc/67/97/71/372679771.db2.gz DAWMGYCYFGWGLD-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889592 372684239 /nfs/dbraw/zinc/68/42/39/372684239.db2.gz IAJHASGRQBHRHL-FDYHWXHSSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889592 372684244 /nfs/dbraw/zinc/68/42/44/372684244.db2.gz IAJHASGRQBHRHL-FDYHWXHSSA-N 2 1 208.349 1.716 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631891351 372686591 /nfs/dbraw/zinc/68/65/91/372686591.db2.gz XYGOVQFCVNNADG-UKRRQHHQSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631891351 372686597 /nfs/dbraw/zinc/68/65/97/372686597.db2.gz XYGOVQFCVNNADG-UKRRQHHQSA-N 2 1 245.370 1.964 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890094 372686951 /nfs/dbraw/zinc/68/69/51/372686951.db2.gz MCWNEHULHGQGNZ-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH+]1CCC([NH2+]CCCOC(F)F)CC1 ZINC000193657188 205991804 /nfs/dbraw/zinc/99/18/04/205991804.db2.gz ZCRMCGDHZKXWEM-UHFFFAOYSA-N 2 1 222.279 1.300 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCO)[C@H](C)C1 ZINC000194220137 206004804 /nfs/dbraw/zinc/00/48/04/206004804.db2.gz BOWWEKUGLHGLBL-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337587948 206041133 /nfs/dbraw/zinc/04/11/33/206041133.db2.gz GIKDTVDSBLYNKE-ZDUSSCGKSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000442661379 206081941 /nfs/dbraw/zinc/08/19/41/206081941.db2.gz NIHLNRKFCZKJRV-YPMHNXCESA-N 2 1 226.364 1.757 20 0 BDADMP OCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363413932 183051125 /nfs/dbraw/zinc/05/11/25/183051125.db2.gz ITQXSVLRZJEIJO-RDBSUJKOSA-N 2 1 238.375 1.175 20 0 BDADMP OCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363413932 183051126 /nfs/dbraw/zinc/05/11/26/183051126.db2.gz ITQXSVLRZJEIJO-RDBSUJKOSA-N 2 1 238.375 1.175 20 0 BDADMP OCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363413932 183051129 /nfs/dbraw/zinc/05/11/29/183051129.db2.gz ITQXSVLRZJEIJO-RDBSUJKOSA-N 2 1 238.375 1.175 20 0 BDADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357358901 169069180 /nfs/dbraw/zinc/06/91/80/169069180.db2.gz XWFYZNMHZQCHGC-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP CCC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360621796 169088423 /nfs/dbraw/zinc/08/84/23/169088423.db2.gz RDTVIDSUUHNCMW-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@@](C)([NH3+])CCC ZINC000226407788 169120370 /nfs/dbraw/zinc/12/03/70/169120370.db2.gz PMRCSVCVMDDBMB-ZDUSSCGKSA-N 2 1 243.395 1.352 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]CC(C)(C)COC ZINC000336736458 169123044 /nfs/dbraw/zinc/12/30/44/169123044.db2.gz MSANWVJQCLAHME-UHFFFAOYSA-N 2 1 230.396 1.981 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]CC(C)(C)COC ZINC000336736458 169123046 /nfs/dbraw/zinc/12/30/46/169123046.db2.gz MSANWVJQCLAHME-UHFFFAOYSA-N 2 1 230.396 1.981 20 0 BDADMP O[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310216264 183236457 /nfs/dbraw/zinc/23/64/57/183236457.db2.gz FENDYYISTSSVGP-RISCZKNCSA-N 2 1 238.375 1.364 20 0 BDADMP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000310477811 169137510 /nfs/dbraw/zinc/13/75/10/169137510.db2.gz BZRYEKUENKZJTC-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000310477811 169137512 /nfs/dbraw/zinc/13/75/12/169137512.db2.gz BZRYEKUENKZJTC-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1CC1 ZINC000310477811 169137513 /nfs/dbraw/zinc/13/75/13/169137513.db2.gz BZRYEKUENKZJTC-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1CC1 ZINC000310477811 169137514 /nfs/dbraw/zinc/13/75/14/169137514.db2.gz BZRYEKUENKZJTC-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[N@@H+](C[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000041046051 169173844 /nfs/dbraw/zinc/17/38/44/169173844.db2.gz ZTEWQNBYKMRJCL-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCCOC)CC1 ZINC000111240701 169186926 /nfs/dbraw/zinc/18/69/26/169186926.db2.gz IOVLCZYJYLNFQZ-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000353137651 169200234 /nfs/dbraw/zinc/20/02/34/169200234.db2.gz MHQFUAJGNVJFNV-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000353137651 169200236 /nfs/dbraw/zinc/20/02/36/169200236.db2.gz MHQFUAJGNVJFNV-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(OC)C2)C1 ZINC000309983329 169206250 /nfs/dbraw/zinc/20/62/50/169206250.db2.gz XFXGAFFTVMEECU-PNESKVBLSA-N 2 1 226.364 1.485 20 0 BDADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)on1 ZINC000309512052 183346743 /nfs/dbraw/zinc/34/67/43/183346743.db2.gz PTUIBDIPNUPTEB-PHIMTYICSA-N 2 1 221.304 1.106 20 0 BDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH2+]C)c2C1 ZINC000236789031 169211178 /nfs/dbraw/zinc/21/11/78/169211178.db2.gz GXSGULVUCAJFCB-UHFFFAOYSA-N 2 1 247.342 1.570 20 0 BDADMP CCC[N@H+]1Cc2cccc(NC(=O)C[NH2+]C)c2C1 ZINC000236789031 169211179 /nfs/dbraw/zinc/21/11/79/169211179.db2.gz GXSGULVUCAJFCB-UHFFFAOYSA-N 2 1 247.342 1.570 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000336691990 169359236 /nfs/dbraw/zinc/35/92/36/169359236.db2.gz HJFZVSAQRLUAMC-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCOCC2CC2)CC[N@H+]1C ZINC000223378426 134338814 /nfs/dbraw/zinc/33/88/14/134338814.db2.gz RUOHJBQAFPCMPA-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223490110 134340196 /nfs/dbraw/zinc/34/01/96/134340196.db2.gz FHFOIWJLHVUVFY-AVGNSLFASA-N 2 1 228.380 1.610 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCSC1 ZINC000224620243 134349324 /nfs/dbraw/zinc/34/93/24/134349324.db2.gz GTUGJRDUHMXNIE-SNVBAGLBSA-N 2 1 202.367 1.281 20 0 BDADMP COc1cc([C@H](C)[NH2+]CCC[NH+](C)C)ccn1 ZINC000558182746 383826900 /nfs/dbraw/zinc/82/69/00/383826900.db2.gz WCVKUGKYMYARKF-NSHDSACASA-N 2 1 237.347 1.693 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)C(C)C ZINC000368103633 383875689 /nfs/dbraw/zinc/87/56/89/383875689.db2.gz XPSASXIQFVEYLX-ZWNOBZJWSA-N 2 1 237.347 1.528 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)C(C)C ZINC000368103632 383876733 /nfs/dbraw/zinc/87/67/33/383876733.db2.gz XPSASXIQFVEYLX-MFKMUULPSA-N 2 1 237.347 1.528 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000278467010 384002343 /nfs/dbraw/zinc/00/23/43/384002343.db2.gz GJLXZVWYOKWLOH-ZDUSSCGKSA-N 2 1 222.332 1.531 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000518547198 383996282 /nfs/dbraw/zinc/99/62/82/383996282.db2.gz YDTZXNKERHOTQT-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@H]1C[N@@H+](C)CCN1CCC[NH+]1CCCC1 ZINC000564880800 383936350 /nfs/dbraw/zinc/93/63/50/383936350.db2.gz FFGJPEDYPRYTGH-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541901 383940208 /nfs/dbraw/zinc/94/02/08/383940208.db2.gz PCDNVGVRGBBJGV-CMPLNLGQSA-N 2 1 236.363 1.901 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000227736465 134385922 /nfs/dbraw/zinc/38/59/22/134385922.db2.gz PSOQIHLSVWJVDI-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000300056562 383973649 /nfs/dbraw/zinc/97/36/49/383973649.db2.gz LSUVDGXHOYKLNN-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546759 384017996 /nfs/dbraw/zinc/01/79/96/384017996.db2.gz UNQZLSVPRYLOEF-JHJVBQTASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CO1 ZINC000647217436 384039234 /nfs/dbraw/zinc/03/92/34/384039234.db2.gz QLBQEZWKHXXDGL-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CCOC[C@@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000313216731 384055377 /nfs/dbraw/zinc/05/53/77/384055377.db2.gz RSTMMMSNHRYIDJ-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569471709 384097366 /nfs/dbraw/zinc/09/73/66/384097366.db2.gz KTHWDAYZHLPJQW-VXGBXAGGSA-N 3 1 213.369 1.234 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401846952 384122433 /nfs/dbraw/zinc/12/24/33/384122433.db2.gz UUOLOCOEYLMSOH-HNMFLPSRSA-N 2 1 224.348 1.379 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](C2CC2)C1)C1CC1 ZINC000351714181 384204645 /nfs/dbraw/zinc/20/46/45/384204645.db2.gz ZVMNYGARQSPFKF-JSGCOSHPSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](C2CC2)C1)C1CC1 ZINC000351714181 384204648 /nfs/dbraw/zinc/20/46/48/384204648.db2.gz ZVMNYGARQSPFKF-JSGCOSHPSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](C2CC2)C1)C1CC1 ZINC000351714181 384204650 /nfs/dbraw/zinc/20/46/50/384204650.db2.gz ZVMNYGARQSPFKF-JSGCOSHPSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](C2CC2)C1)C1CC1 ZINC000351714181 384204656 /nfs/dbraw/zinc/20/46/56/384204656.db2.gz ZVMNYGARQSPFKF-JSGCOSHPSA-N 2 1 238.375 1.173 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccn2C)C1 ZINC000093770696 384267098 /nfs/dbraw/zinc/26/70/98/384267098.db2.gz GPFRIRXGVDAHCO-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccn2C)C1 ZINC000093770696 384267104 /nfs/dbraw/zinc/26/71/04/384267104.db2.gz GPFRIRXGVDAHCO-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000093770696 384267113 /nfs/dbraw/zinc/26/71/13/384267113.db2.gz GPFRIRXGVDAHCO-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000093770696 384267115 /nfs/dbraw/zinc/26/71/15/384267115.db2.gz GPFRIRXGVDAHCO-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000133062224 384270722 /nfs/dbraw/zinc/27/07/22/384270722.db2.gz WSMYOCSSXLVNCM-JQWIXIFHSA-N 2 1 223.320 1.206 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000228556076 384275707 /nfs/dbraw/zinc/27/57/07/384275707.db2.gz RMEZHPMMNGDEKS-NXEZZACHSA-N 2 1 200.351 1.081 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CO1 ZINC000401929011 384296741 /nfs/dbraw/zinc/29/67/41/384296741.db2.gz UKEQGLKUWSKKOH-CMPLNLGQSA-N 2 1 210.321 1.015 20 0 BDADMP Clc1ccc(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC000095069835 384335526 /nfs/dbraw/zinc/33/55/26/384335526.db2.gz DXTYUECKZMBNQA-UHFFFAOYSA-N 2 1 225.723 1.577 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)nc1 ZINC000405445957 384339385 /nfs/dbraw/zinc/33/93/85/384339385.db2.gz FPHAYSQJMKITDT-RYUDHWBXSA-N 2 1 219.332 1.605 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000228860053 384346017 /nfs/dbraw/zinc/34/60/17/384346017.db2.gz QYMYTJKSHAVKLF-RRFJBIMHSA-N 2 1 245.370 1.949 20 0 BDADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc1 ZINC000647509852 384346432 /nfs/dbraw/zinc/34/64/32/384346432.db2.gz GYISPCQXIPYOSR-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc1 ZINC000647509852 384346439 /nfs/dbraw/zinc/34/64/39/384346439.db2.gz GYISPCQXIPYOSR-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000300230570 384332702 /nfs/dbraw/zinc/33/27/02/384332702.db2.gz BHQMOEHPLKPLMC-UTUOFQBUSA-N 2 1 228.405 1.669 20 0 BDADMP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cscn1 ZINC000084385501 384391621 /nfs/dbraw/zinc/39/16/21/384391621.db2.gz IIFNFZGQIAGJNB-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cscn1 ZINC000084385501 384391623 /nfs/dbraw/zinc/39/16/23/384391623.db2.gz IIFNFZGQIAGJNB-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cn[nH]c1 ZINC000305972631 384450993 /nfs/dbraw/zinc/45/09/93/384450993.db2.gz QCROLWFFRFJQQL-MNOVXSKESA-N 2 1 234.347 1.545 20 0 BDADMP Cc1nccn1CCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568162146 384442189 /nfs/dbraw/zinc/44/21/89/384442189.db2.gz PBRBKWNMMBKRFE-WCQYABFASA-N 2 1 236.363 1.393 20 0 BDADMP COCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777998 384507913 /nfs/dbraw/zinc/50/79/13/384507913.db2.gz CGGDGJUSAWVWNQ-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249834679 384522619 /nfs/dbraw/zinc/52/26/19/384522619.db2.gz QOTPVCHSKADSDY-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033707 384560335 /nfs/dbraw/zinc/56/03/35/384560335.db2.gz MTYLXNOYOXAAEM-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033707 384560344 /nfs/dbraw/zinc/56/03/44/384560344.db2.gz MTYLXNOYOXAAEM-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789871 384568393 /nfs/dbraw/zinc/56/83/93/384568393.db2.gz VTQRXDVEGFMFTA-NEPJUHHUSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789871 384568399 /nfs/dbraw/zinc/56/83/99/384568399.db2.gz VTQRXDVEGFMFTA-NEPJUHHUSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]([NH2+]C1CCN(C)CC1)c1ccccn1 ZINC000020123236 384578858 /nfs/dbraw/zinc/57/88/58/384578858.db2.gz CXEYYTVQVLNVJG-NSHDSACASA-N 2 1 219.332 1.826 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066880 384581085 /nfs/dbraw/zinc/58/10/85/384581085.db2.gz UTIMYLIKHVYOMG-ZIAGYGMSSA-N 2 1 248.374 1.265 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000304615866 384608602 /nfs/dbraw/zinc/60/86/02/384608602.db2.gz SIDDUPKRVZDWBZ-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP Cc1ccncc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647530983 384622399 /nfs/dbraw/zinc/62/23/99/384622399.db2.gz TXTANLGQWJBKFM-UHFFFAOYSA-N 2 1 219.332 1.703 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000647538659 384671394 /nfs/dbraw/zinc/67/13/94/384671394.db2.gz ARVLMBPKAFCUJD-LBPRGKRZSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000271847169 384646028 /nfs/dbraw/zinc/64/60/28/384646028.db2.gz ICFVOBFNIUIVTE-LLVKDONJSA-N 2 1 234.347 1.333 20 0 BDADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)COC1 ZINC000309835252 384653829 /nfs/dbraw/zinc/65/38/29/384653829.db2.gz AYCXUZQNRRQXDM-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000336659228 384685220 /nfs/dbraw/zinc/68/52/20/384685220.db2.gz IYKDDJLESCUBBV-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000363679149 384687391 /nfs/dbraw/zinc/68/73/91/384687391.db2.gz VMUZAHXTYDLOLF-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000363679149 384687398 /nfs/dbraw/zinc/68/73/98/384687398.db2.gz VMUZAHXTYDLOLF-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000363679149 384687409 /nfs/dbraw/zinc/68/74/09/384687409.db2.gz VMUZAHXTYDLOLF-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(O)CC1 ZINC000309914646 384708771 /nfs/dbraw/zinc/70/87/71/384708771.db2.gz OPWHJEZEHLGHJL-PNESKVBLSA-N 2 1 228.380 1.610 20 0 BDADMP C[N@H+]1CC[C@@H](NCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423187680 384719660 /nfs/dbraw/zinc/71/96/60/384719660.db2.gz LFBJXKYSXWWKCT-HUUCEWRRSA-N 2 1 247.386 1.760 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547180 384736345 /nfs/dbraw/zinc/73/63/45/384736345.db2.gz PZALJPALUJBDJS-SDDRHHMPSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccccn1 ZINC000289577378 384755029 /nfs/dbraw/zinc/75/50/29/384755029.db2.gz QYODYHTUBKFYCQ-YPMHNXCESA-N 2 1 249.358 1.187 20 0 BDADMP Cc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)s1 ZINC000125902905 384755779 /nfs/dbraw/zinc/75/57/79/384755779.db2.gz YEAIQKPBZONFSW-LBPRGKRZSA-N 2 1 242.388 1.459 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2c(s1)CCC2 ZINC000647552355 384758861 /nfs/dbraw/zinc/75/88/61/384758861.db2.gz UGDBLKZNQDRECE-IUCAKERBSA-N 2 1 239.388 1.847 20 0 BDADMP CC[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000054133207 384822141 /nfs/dbraw/zinc/82/21/41/384822141.db2.gz XEIUFJSTRUHBKB-CYBMUJFWSA-N 2 1 249.358 1.144 20 0 BDADMP CC(C)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310089025 384829928 /nfs/dbraw/zinc/82/99/28/384829928.db2.gz IIAPPNQYVFFQHF-TZMCWYRMSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310089025 384829935 /nfs/dbraw/zinc/82/99/35/384829935.db2.gz IIAPPNQYVFFQHF-TZMCWYRMSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310089025 384829943 /nfs/dbraw/zinc/82/99/43/384829943.db2.gz IIAPPNQYVFFQHF-TZMCWYRMSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310089025 384829950 /nfs/dbraw/zinc/82/99/50/384829950.db2.gz IIAPPNQYVFFQHF-TZMCWYRMSA-N 2 1 240.391 1.419 20 0 BDADMP C[N@H+](CCC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000106164558 384833497 /nfs/dbraw/zinc/83/34/97/384833497.db2.gz IAAWATZMOULPTG-NSHDSACASA-N 2 1 236.315 1.107 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000106164558 384833501 /nfs/dbraw/zinc/83/35/01/384833501.db2.gz IAAWATZMOULPTG-NSHDSACASA-N 2 1 236.315 1.107 20 0 BDADMP CC[C@@H](C[C@H](C)CO)[NH2+]C1CC[NH+](C)CC1 ZINC000310012494 384783319 /nfs/dbraw/zinc/78/33/19/384783319.db2.gz JDJHORAIBCNNKH-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(F)cc1 ZINC000107787199 384784470 /nfs/dbraw/zinc/78/44/70/384784470.db2.gz YTADNNGRCGGJAD-GFCCVEGCSA-N 2 1 210.296 1.899 20 0 BDADMP CC(C)(C)[NH+]1CCC([NH2+]CCF)CC1 ZINC000308542596 384788364 /nfs/dbraw/zinc/78/83/64/384788364.db2.gz VBPPYDHKYOWTAX-UHFFFAOYSA-N 2 1 202.317 1.808 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCSC1)c1c[nH+]ccc1N ZINC000335025472 384810256 /nfs/dbraw/zinc/81/02/56/384810256.db2.gz SWMFGGOZFCEJHL-DTWKUNHWSA-N 2 1 223.345 1.650 20 0 BDADMP C[C@H](O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000257771796 384926930 /nfs/dbraw/zinc/92/69/30/384926930.db2.gz NUDXLNCMMHYRMG-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nn1C ZINC000257697483 384927665 /nfs/dbraw/zinc/92/76/65/384927665.db2.gz PECKGPGFNWSIGK-UHFFFAOYSA-N 2 1 248.374 1.304 20 0 BDADMP c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccn1 ZINC000258873256 384948512 /nfs/dbraw/zinc/94/85/12/384948512.db2.gz ZXRRVSSZEMNMHP-GFCCVEGCSA-N 2 1 205.305 1.313 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC1=CC[NH+](C)CC1)C2 ZINC000377080781 384981877 /nfs/dbraw/zinc/98/18/77/384981877.db2.gz VKXFJZVHHXWVBA-GOOCMWNKSA-N 3 1 249.402 1.463 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]CC1=CC[N@H+](C)CC1)C2 ZINC000377080781 384981882 /nfs/dbraw/zinc/98/18/82/384981882.db2.gz VKXFJZVHHXWVBA-GOOCMWNKSA-N 3 1 249.402 1.463 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]CC1=CC[N@@H+](C)CC1)C2 ZINC000377080781 384981887 /nfs/dbraw/zinc/98/18/87/384981887.db2.gz VKXFJZVHHXWVBA-GOOCMWNKSA-N 3 1 249.402 1.463 20 0 BDADMP C[NH+]1CCC([NH2+]CCC(=O)OC(C)(C)C)CC1 ZINC000177368649 384985544 /nfs/dbraw/zinc/98/55/44/384985544.db2.gz VIKGPCWUHNKCLY-UHFFFAOYSA-N 2 1 242.363 1.402 20 0 BDADMP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000644603632 384998362 /nfs/dbraw/zinc/99/83/62/384998362.db2.gz JHANKDQCOYSKHP-ZIAGYGMSSA-N 2 1 242.407 1.715 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397285 385007932 /nfs/dbraw/zinc/00/79/32/385007932.db2.gz DTOJTHXRXBZCFB-AAEUAGOBSA-N 2 1 243.395 1.350 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC000404488414 385020556 /nfs/dbraw/zinc/02/05/56/385020556.db2.gz FFZFMBSSJAPNEM-RKDXNWHRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000404488414 385020567 /nfs/dbraw/zinc/02/05/67/385020567.db2.gz FFZFMBSSJAPNEM-RKDXNWHRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccn1 ZINC000404765030 385055358 /nfs/dbraw/zinc/05/53/58/385055358.db2.gz FRHZUYBYFKBPJM-WCQGTBRESA-N 2 1 219.332 1.858 20 0 BDADMP Cc1cccnc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404763644 385056621 /nfs/dbraw/zinc/05/66/21/385056621.db2.gz DZRGBLGWKTUCNB-VXGBXAGGSA-N 2 1 219.332 1.605 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000644649270 385056926 /nfs/dbraw/zinc/05/69/26/385056926.db2.gz QCOHQVVKDPGAHE-NEPJUHHUSA-N 2 1 243.395 1.173 20 0 BDADMP Cc1ncccc1CNCC[NH+]1CCCC1 ZINC000157087623 385065700 /nfs/dbraw/zinc/06/57/00/385065700.db2.gz UDFAYSALIDIHLZ-UHFFFAOYSA-N 2 1 219.332 1.575 20 0 BDADMP C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359224925 385075027 /nfs/dbraw/zinc/07/50/27/385075027.db2.gz UDRCTXBJRDTOOB-OCCSQVGLSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000359224925 385075035 /nfs/dbraw/zinc/07/50/35/385075035.db2.gz UDRCTXBJRDTOOB-OCCSQVGLSA-N 2 1 239.407 1.578 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000340493567 385075740 /nfs/dbraw/zinc/07/57/40/385075740.db2.gz VQTKECOHDFYNRL-CYZMBNFOSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000310403644 385044103 /nfs/dbraw/zinc/04/41/03/385044103.db2.gz LFZDCBIZEWOIRL-IHRRRGAJSA-N 2 1 238.375 1.364 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000308738260 385045453 /nfs/dbraw/zinc/04/54/53/385045453.db2.gz MXNHPQFVWZTKFT-OUAUKWLOSA-N 2 1 216.394 1.668 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000308738260 385045461 /nfs/dbraw/zinc/04/54/61/385045461.db2.gz MXNHPQFVWZTKFT-OUAUKWLOSA-N 2 1 216.394 1.668 20 0 BDADMP C1CC12C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424181276 385109176 /nfs/dbraw/zinc/10/91/76/385109176.db2.gz BTJNLRXZRCSBOR-TUAOUCFPSA-N 2 1 206.333 1.755 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177837636 385121692 /nfs/dbraw/zinc/12/16/92/385121692.db2.gz HQDFXUUXCBIYGB-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000177837636 385121696 /nfs/dbraw/zinc/12/16/96/385121696.db2.gz HQDFXUUXCBIYGB-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177837636 385121698 /nfs/dbraw/zinc/12/16/98/385121698.db2.gz HQDFXUUXCBIYGB-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H](C)O ZINC000644669252 385087109 /nfs/dbraw/zinc/08/71/09/385087109.db2.gz OJPWQOCIMXHOCR-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCOCC(F)F)CC[N@H+]1C ZINC000188744103 385088010 /nfs/dbraw/zinc/08/80/10/385088010.db2.gz RNUAPQAQWMJXAQ-NXEZZACHSA-N 2 1 236.306 1.340 20 0 BDADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000310486015 385088096 /nfs/dbraw/zinc/08/80/96/385088096.db2.gz DXRZHMLBGLGBSG-IACUBPJLSA-N 2 1 240.391 1.874 20 0 BDADMP CN(C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527202 385104376 /nfs/dbraw/zinc/10/43/76/385104376.db2.gz XHWUOUHPZZIDLL-SCRDCRAPSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527202 385104383 /nfs/dbraw/zinc/10/43/83/385104383.db2.gz XHWUOUHPZZIDLL-SCRDCRAPSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527202 385104389 /nfs/dbraw/zinc/10/43/89/385104389.db2.gz XHWUOUHPZZIDLL-SCRDCRAPSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527202 385104393 /nfs/dbraw/zinc/10/43/93/385104393.db2.gz XHWUOUHPZZIDLL-SCRDCRAPSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527202 385104400 /nfs/dbraw/zinc/10/44/00/385104400.db2.gz XHWUOUHPZZIDLL-SCRDCRAPSA-N 2 1 238.375 1.173 20 0 BDADMP CCN(CC)C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422710490 385194160 /nfs/dbraw/zinc/19/41/60/385194160.db2.gz FXRATIZSCSLZHE-WOPDTQHZSA-N 2 1 215.385 1.432 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482659 385212147 /nfs/dbraw/zinc/21/21/47/385212147.db2.gz WMDHWVPFABQADT-NSHDSACASA-N 2 1 240.416 1.956 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305768830 385227524 /nfs/dbraw/zinc/22/75/24/385227524.db2.gz LEGUSHLHJSAAHZ-RWMBFGLXSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000252729641 385234434 /nfs/dbraw/zinc/23/44/34/385234434.db2.gz HPVLXPMJFBIIFM-RKQHYHRCSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000252729641 385234440 /nfs/dbraw/zinc/23/44/40/385234440.db2.gz HPVLXPMJFBIIFM-RKQHYHRCSA-N 2 1 240.391 1.872 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000157674708 385244863 /nfs/dbraw/zinc/24/48/63/385244863.db2.gz SXHVTILYCFYNAG-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000308843242 385203643 /nfs/dbraw/zinc/20/36/43/385203643.db2.gz ZAPSECZZVHJTKM-GXSJLCMTSA-N 2 1 225.361 1.675 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000037887420 385321764 /nfs/dbraw/zinc/32/17/64/385321764.db2.gz MAVPVEAFMONSLH-CHWSQXEVSA-N 2 1 226.364 1.364 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000335353248 385298030 /nfs/dbraw/zinc/29/80/30/385298030.db2.gz BVBZAQSSOQKNGJ-LBPRGKRZSA-N 2 1 226.364 1.628 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000308987065 385334308 /nfs/dbraw/zinc/33/43/08/385334308.db2.gz UVVFHFNXKXEWSB-KGYLQXTDSA-N 2 1 208.349 1.859 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000390505882 385352666 /nfs/dbraw/zinc/35/26/66/385352666.db2.gz WNLJOGFLWJCUCX-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC(C)(C)C1 ZINC000390505882 385352670 /nfs/dbraw/zinc/35/26/70/385352670.db2.gz WNLJOGFLWJCUCX-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000390505882 385352688 /nfs/dbraw/zinc/35/26/88/385352688.db2.gz WNLJOGFLWJCUCX-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CCC[NH2+]CC2)CCC1 ZINC000165185921 385359550 /nfs/dbraw/zinc/35/95/50/385359550.db2.gz NHAPVHNYYNUBSK-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000309249909 385499505 /nfs/dbraw/zinc/49/95/05/385499505.db2.gz ZXESASUEZPKPKZ-UHFFFAOYSA-N 2 1 218.291 1.716 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000643010646 385504842 /nfs/dbraw/zinc/50/48/42/385504842.db2.gz SOFYPVQQRKAPOX-VHSXEESVSA-N 2 1 245.330 1.522 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000643010647 385505246 /nfs/dbraw/zinc/50/52/46/385505246.db2.gz SOFYPVQQRKAPOX-ZJUUUORDSA-N 2 1 245.330 1.522 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000295259648 385508429 /nfs/dbraw/zinc/50/84/29/385508429.db2.gz UYURAYOLGBLQFF-JFGNBEQYSA-N 2 1 223.320 1.347 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2CSC2)CC1 ZINC000258052387 385529742 /nfs/dbraw/zinc/52/97/42/385529742.db2.gz KBOMJYDHHGLQET-SECBINFHSA-N 2 1 200.351 1.176 20 0 BDADMP COC1(C[N@H+]2CC[C@@](C)(C[NH3+])C2)CCCC1 ZINC000319104840 385543845 /nfs/dbraw/zinc/54/38/45/385543845.db2.gz XVISJZRHYVAPSP-LBPRGKRZSA-N 2 1 226.364 1.616 20 0 BDADMP Cc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)no1 ZINC000082475032 385551273 /nfs/dbraw/zinc/55/12/73/385551273.db2.gz RKBKXSVZERHYLA-SNVBAGLBSA-N 2 1 223.320 1.542 20 0 BDADMP CC[NH+](CC)CCN1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000365007870 385563276 /nfs/dbraw/zinc/56/32/76/385563276.db2.gz KJZDYQLGXNEBFB-KBPBESRZSA-N 2 1 239.407 1.354 20 0 BDADMP COC[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000309430819 385580143 /nfs/dbraw/zinc/58/01/43/385580143.db2.gz GDHNMCGUKASSDQ-PNESKVBLSA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCOC1)C1CCCCC1 ZINC000414853175 385686528 /nfs/dbraw/zinc/68/65/28/385686528.db2.gz SAQOSVJHEFYHNX-GXTWGEPZSA-N 2 1 240.391 1.910 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCSC2)CC1 ZINC000307455225 385688417 /nfs/dbraw/zinc/68/84/17/385688417.db2.gz CGLLFSHMEZGDSO-LLVKDONJSA-N 2 1 212.362 1.343 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853408 385688810 /nfs/dbraw/zinc/68/88/10/385688810.db2.gz SINIOBBQZSYJCN-AAEUAGOBSA-N 2 1 228.380 1.909 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000221728421 385693849 /nfs/dbraw/zinc/69/38/49/385693849.db2.gz VEKWWMHJTALQDO-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000307500826 385696175 /nfs/dbraw/zinc/69/61/75/385696175.db2.gz USUZOIACJPMGSB-MNOVXSKESA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCO1 ZINC000336687729 385705716 /nfs/dbraw/zinc/70/57/16/385705716.db2.gz GRXXTLVGJNRQSZ-SCRDCRAPSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000414858263 385735103 /nfs/dbraw/zinc/73/51/03/385735103.db2.gz IPBKQCOVLQTSJK-UHFFFAOYSA-N 2 1 236.241 1.128 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309610781 385741689 /nfs/dbraw/zinc/74/16/89/385741689.db2.gz MQHKJXGXACTOGV-AVGNSLFASA-N 2 1 228.380 1.323 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000309628610 385756677 /nfs/dbraw/zinc/75/66/77/385756677.db2.gz HELKCSNNIMSIPE-UPJWGTAASA-N 2 1 226.364 1.077 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000309646988 385765235 /nfs/dbraw/zinc/76/52/35/385765235.db2.gz MOOQKPDLYHIZAN-UTUOFQBUSA-N 2 1 228.380 1.323 20 0 BDADMP CC[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000186517380 385766489 /nfs/dbraw/zinc/76/64/89/385766489.db2.gz QICHPWOLDDMQBD-NSHDSACASA-N 2 1 223.320 1.008 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414944511 385781036 /nfs/dbraw/zinc/78/10/36/385781036.db2.gz OFNYFMKUFKQZSJ-ZMWSMAPVSA-N 2 1 208.280 1.776 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951278 385821715 /nfs/dbraw/zinc/82/17/15/385821715.db2.gz PMXBMYWCOZKXDG-YVECIDJPSA-N 3 1 225.380 1.247 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CC[NH2+]1 ZINC000414955418 385836903 /nfs/dbraw/zinc/83/69/03/385836903.db2.gz UGPCPWJTMVDAMA-OCCSQVGLSA-N 2 1 247.386 1.983 20 0 BDADMP C[C@@H]1SCC[C@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000647804780 385839614 /nfs/dbraw/zinc/83/96/14/385839614.db2.gz YPTKQTIUDPWKRC-YTWAJWBKSA-N 2 1 214.378 1.468 20 0 BDADMP CN(C)C[C@H]1C[N@H+](CCC(C)(C)C)CCO1 ZINC000112697950 385843994 /nfs/dbraw/zinc/84/39/94/385843994.db2.gz GIXMMNQAFMJXAK-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP CCCc1csc(C[NH2+]C[C@H](C)C[NH3+])n1 ZINC000414870794 385851265 /nfs/dbraw/zinc/85/12/65/385851265.db2.gz CNXLYKOPWAIPJD-SECBINFHSA-N 2 1 227.377 1.780 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000366630316 385855487 /nfs/dbraw/zinc/85/54/87/385855487.db2.gz QPNUOTUPCKJBOI-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP Cc1ccncc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291712239 385795973 /nfs/dbraw/zinc/79/59/73/385795973.db2.gz LKZGCTMIKFDYPC-NSHDSACASA-N 2 1 221.348 1.677 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000414963465 385898227 /nfs/dbraw/zinc/89/82/27/385898227.db2.gz XNEXHEDZXKEIPV-CRWXNKLISA-N 2 1 240.391 1.920 20 0 BDADMP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)n1 ZINC000414966154 385915879 /nfs/dbraw/zinc/91/58/79/385915879.db2.gz GDZPWAZORTVAGW-ZDUSSCGKSA-N 2 1 249.358 1.573 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878091 385930024 /nfs/dbraw/zinc/93/00/24/385930024.db2.gz NICLQVRXMNIFCH-GXTWGEPZSA-N 2 1 249.358 1.328 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035023 385923791 /nfs/dbraw/zinc/92/37/91/385923791.db2.gz RUKDZSVCYSNGJO-KBPBESRZSA-N 2 1 232.327 1.686 20 0 BDADMP Nc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814786 385868796 /nfs/dbraw/zinc/86/87/96/385868796.db2.gz GANDEADYTQTZRZ-UHFFFAOYSA-N 2 1 245.370 1.985 20 0 BDADMP C[N@@H+](CCCn1ccnc1)CCc1cnccn1 ZINC000272038525 385869706 /nfs/dbraw/zinc/86/97/06/385869706.db2.gz OHLJRLIADGJAOK-UHFFFAOYSA-N 2 1 245.330 1.238 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000335038300 385928454 /nfs/dbraw/zinc/92/84/54/385928454.db2.gz JPFOYAMJBXWABT-OLZOCXBDSA-N 2 1 219.332 1.831 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414971727 385976203 /nfs/dbraw/zinc/97/62/03/385976203.db2.gz IYUITXYZPAYDDI-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP CC[C@@H](C[NH2+]CC1(C)COC1)[NH+]1CCCC1 ZINC000336747588 385979311 /nfs/dbraw/zinc/97/93/11/385979311.db2.gz XHNXHIMOSBGWPU-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc2c1NCC2 ZINC000414972233 385981267 /nfs/dbraw/zinc/98/12/67/385981267.db2.gz ALTJGJXGTPHCRE-LBPRGKRZSA-N 2 1 219.332 1.482 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414878764 385937716 /nfs/dbraw/zinc/93/77/16/385937716.db2.gz HIOBJIUURFCCIW-UHFFFAOYSA-N 2 1 247.342 1.616 20 0 BDADMP COc1ccncc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000311017039 385940337 /nfs/dbraw/zinc/94/03/37/385940337.db2.gz NFQDJGYETHHIGC-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)CC1(C)C ZINC000338280227 385944560 /nfs/dbraw/zinc/94/45/60/385944560.db2.gz LRKUXFYRDMEIAZ-UHFFFAOYSA-N 2 1 241.423 1.744 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000338280933 385945258 /nfs/dbraw/zinc/94/52/58/385945258.db2.gz VTSTWVJYMJJQLI-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000338284557 385949421 /nfs/dbraw/zinc/94/94/21/385949421.db2.gz QYLHTCMTYPCQLH-ZIAGYGMSSA-N 2 1 241.423 1.743 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC1(O)CCC1 ZINC000338305589 385951836 /nfs/dbraw/zinc/95/18/36/385951836.db2.gz SEPMMXNPONEHOW-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251469829 385955399 /nfs/dbraw/zinc/95/53/99/385955399.db2.gz DMQJQCHNVTZWIZ-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP C[N@@H+](CCCCF)CCCn1ccnc1 ZINC000285726568 385959557 /nfs/dbraw/zinc/95/95/57/385959557.db2.gz UCXGZBYVUXJIQK-UHFFFAOYSA-N 2 1 213.300 1.955 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335058785 385960527 /nfs/dbraw/zinc/96/05/27/385960527.db2.gz KGITZXKPMRLODA-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000335058785 385960535 /nfs/dbraw/zinc/96/05/35/385960535.db2.gz KGITZXKPMRLODA-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP CCn1nccc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414970958 385967015 /nfs/dbraw/zinc/96/70/15/385967015.db2.gz KYUJZYOYOCKTAM-LBPRGKRZSA-N 2 1 236.363 1.381 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+][C@@H](C)C2)c1 ZINC000128739854 386006890 /nfs/dbraw/zinc/00/68/90/386006890.db2.gz QCITWEUEJUJGCZ-NSHDSACASA-N 2 1 235.331 1.192 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000309395013 386008129 /nfs/dbraw/zinc/00/81/29/386008129.db2.gz IGNBALMEGSSZAN-NSHDSACASA-N 2 1 222.336 1.013 20 0 BDADMP CC[N@H+](Cc1cc(C)no1)[C@H]1CCC[NH2+]CC1 ZINC000345194311 386056553 /nfs/dbraw/zinc/05/65/53/386056553.db2.gz XGKKFZMPMSFAFC-LBPRGKRZSA-N 2 1 237.347 1.947 20 0 BDADMP CC[N@@H+](Cc1cc(C)no1)[C@H]1CCC[NH2+]CC1 ZINC000345194311 386056557 /nfs/dbraw/zinc/05/65/57/386056557.db2.gz XGKKFZMPMSFAFC-LBPRGKRZSA-N 2 1 237.347 1.947 20 0 BDADMP C[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)C[NH+](C)C ZINC000291759731 386037019 /nfs/dbraw/zinc/03/70/19/386037019.db2.gz RGVHYOUQTZAQKT-NSHDSACASA-N 2 1 249.358 1.073 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979236 386042884 /nfs/dbraw/zinc/04/28/84/386042884.db2.gz UHNIFTCFABTFFM-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP CO[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000425424216 386043189 /nfs/dbraw/zinc/04/31/89/386043189.db2.gz WADZOEZLBPWHNN-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000425424216 386043195 /nfs/dbraw/zinc/04/31/95/386043195.db2.gz WADZOEZLBPWHNN-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000425424216 386043202 /nfs/dbraw/zinc/04/32/02/386043202.db2.gz WADZOEZLBPWHNN-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1CCC([NH2+]CC(C)(C)OCC2CC2)CC1 ZINC000414239917 386053697 /nfs/dbraw/zinc/05/36/97/386053697.db2.gz JGKKMFGXSHIQQS-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665202 386107953 /nfs/dbraw/zinc/10/79/53/386107953.db2.gz UUJDOEKVCJTPSP-XJFOESAGSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665195 386109206 /nfs/dbraw/zinc/10/92/06/386109206.db2.gz UUJDOEKVCJTPSP-AAVRWANBSA-N 2 1 239.407 1.434 20 0 BDADMP COCC[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000648405403 386077581 /nfs/dbraw/zinc/07/75/81/386077581.db2.gz UWMHAIKGJZKPCS-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1ccsc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336772367 386083341 /nfs/dbraw/zinc/08/33/41/386083341.db2.gz VHFPHNYEDHQCFQ-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1ccsc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336772367 386083342 /nfs/dbraw/zinc/08/33/42/386083342.db2.gz VHFPHNYEDHQCFQ-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C)[C@H]2CN)CC[NH2+]1 ZINC000414657088 386084134 /nfs/dbraw/zinc/08/41/34/386084134.db2.gz JMDPILCFOYNLAX-REWJHTLYSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@H](CN2CCC[C@H](C)[C@H]2C[NH3+])CC[NH2+]1 ZINC000414657088 386084139 /nfs/dbraw/zinc/08/41/39/386084139.db2.gz JMDPILCFOYNLAX-REWJHTLYSA-N 2 1 239.407 1.434 20 0 BDADMP CSC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000188053506 386084993 /nfs/dbraw/zinc/08/49/93/386084993.db2.gz NRWDTUYQVONKQH-LBPRGKRZSA-N 2 1 246.420 1.173 20 0 BDADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1F ZINC000414887488 386089930 /nfs/dbraw/zinc/08/99/30/386089930.db2.gz DQYKUNLIIXLPST-LBPRGKRZSA-N 2 1 238.306 1.661 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CO)C1 ZINC000414662494 386098878 /nfs/dbraw/zinc/09/88/78/386098878.db2.gz ACIPFRRKBQIQHK-NEPJUHHUSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CO)C1 ZINC000414662494 386098885 /nfs/dbraw/zinc/09/88/85/386098885.db2.gz ACIPFRRKBQIQHK-NEPJUHHUSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662394 386099294 /nfs/dbraw/zinc/09/92/94/386099294.db2.gz QAZJXZJSRPKKFN-RDBSUJKOSA-N 3 1 241.423 1.680 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CO)C2)CC[NH2+]1 ZINC000414677507 386157632 /nfs/dbraw/zinc/15/76/32/386157632.db2.gz WOFVIKMVOFRFBK-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414681582 386164560 /nfs/dbraw/zinc/16/45/60/386164560.db2.gz PMNUNKUQHNOXFW-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](CCCCO)C2CC2)CC[NH2+]1 ZINC000414687253 386170732 /nfs/dbraw/zinc/17/07/32/386170732.db2.gz BYENULWURVXEGC-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1CO ZINC000190425712 386179077 /nfs/dbraw/zinc/17/90/77/386179077.db2.gz NYNRJIIERZFAIW-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000414692226 386183281 /nfs/dbraw/zinc/18/32/81/386183281.db2.gz KLDMQOQYBSFLEH-JSGCOSHPSA-N 2 1 239.407 1.528 20 0 BDADMP Cc1ccc(F)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414890265 386130711 /nfs/dbraw/zinc/13/07/11/386130711.db2.gz MJVXGUUCHITJIH-CYBMUJFWSA-N 2 1 222.307 1.961 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCCOC)CC1 ZINC000157458792 386206309 /nfs/dbraw/zinc/20/63/09/386206309.db2.gz ICPKEEHTAZEVBN-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCCOC)CC1 ZINC000157458792 386206316 /nfs/dbraw/zinc/20/63/16/386206316.db2.gz ICPKEEHTAZEVBN-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000339011884 386208453 /nfs/dbraw/zinc/20/84/53/386208453.db2.gz WGFRVINCPZRPLK-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000339011884 386208460 /nfs/dbraw/zinc/20/84/60/386208460.db2.gz WGFRVINCPZRPLK-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000339011884 386208467 /nfs/dbraw/zinc/20/84/67/386208467.db2.gz WGFRVINCPZRPLK-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP C[N@@H+](CCOC1CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000347059638 386209575 /nfs/dbraw/zinc/20/95/75/386209575.db2.gz RHAGDDWGFZFHTE-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCOC1CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000347059638 386209582 /nfs/dbraw/zinc/20/95/82/386209582.db2.gz RHAGDDWGFZFHTE-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCOC1CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000347059638 386209588 /nfs/dbraw/zinc/20/95/88/386209588.db2.gz RHAGDDWGFZFHTE-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)[N@@H+](C[C@H](C)O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414702901 386210176 /nfs/dbraw/zinc/21/01/76/386210176.db2.gz VLDSVXYJOGXELS-RWMBFGLXSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[N@@H+](C[C@H](C)O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702891 386210304 /nfs/dbraw/zinc/21/03/04/386210304.db2.gz VLDSVXYJOGXELS-AGIUHOORSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H](C[N@@H+](C)CCC[NH3+])c1nccs1 ZINC000414703649 386212513 /nfs/dbraw/zinc/21/25/13/386212513.db2.gz CQMKWUHCXMUZQK-VIFPVBQESA-N 2 1 213.350 1.527 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414706025 386219430 /nfs/dbraw/zinc/21/94/30/386219430.db2.gz OFTDSZWOFVUFQU-YNEHKIRRSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]CCn2cccn2)c2ccccc21 ZINC000132048577 386220427 /nfs/dbraw/zinc/22/04/27/386220427.db2.gz BKCRXEYUZDRWQN-KGLIPLIRSA-N 2 1 242.326 1.618 20 0 BDADMP COc1ccsc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347037086 386226920 /nfs/dbraw/zinc/22/69/20/386226920.db2.gz FQXATCMJNNBHRI-SNVBAGLBSA-N 2 1 240.372 1.927 20 0 BDADMP COc1ccsc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347037086 386226927 /nfs/dbraw/zinc/22/69/27/386226927.db2.gz FQXATCMJNNBHRI-SNVBAGLBSA-N 2 1 240.372 1.927 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414715021 386236560 /nfs/dbraw/zinc/23/65/60/386236560.db2.gz VZGOORIKIVZLOX-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347135969 386239027 /nfs/dbraw/zinc/23/90/27/386239027.db2.gz SYQHYQGGNDUPBM-ZDUSSCGKSA-N 2 1 247.386 1.923 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414716707 386239253 /nfs/dbraw/zinc/23/92/53/386239253.db2.gz SSAUGICRCZSOQD-CYBMUJFWSA-N 2 1 241.423 1.647 20 0 BDADMP CCn1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000414898999 386240085 /nfs/dbraw/zinc/24/00/85/386240085.db2.gz BRDIJYSBJKIYSK-GFCCVEGCSA-N 2 1 222.336 1.135 20 0 BDADMP C([C@@H]1CCCCO1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310555329 386198522 /nfs/dbraw/zinc/19/85/22/386198522.db2.gz HZHRYBFVLDSTRU-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@H](C[NH3+])C3)cc12 ZINC000347229412 386289151 /nfs/dbraw/zinc/28/91/51/386289151.db2.gz XDZRBMXXIZWCHP-SNVBAGLBSA-N 2 1 245.330 1.047 20 0 BDADMP Cc1[nH]nc2ncc(C[N@H+]3CC[C@H](C[NH3+])C3)cc12 ZINC000347229412 386289155 /nfs/dbraw/zinc/28/91/55/386289155.db2.gz XDZRBMXXIZWCHP-SNVBAGLBSA-N 2 1 245.330 1.047 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCC1CC[NH2+]CC1 ZINC000647988167 386293559 /nfs/dbraw/zinc/29/35/59/386293559.db2.gz YRYAAJNEKPAVGK-ZDUSSCGKSA-N 3 1 241.423 1.729 20 0 BDADMP CC[N@@H+](C[C@@H](O)CN(C)C1CC1)C1CCC1 ZINC000336667753 386296970 /nfs/dbraw/zinc/29/69/70/386296970.db2.gz QJKZSZDDRWMCAF-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCC1 ZINC000336667753 386296976 /nfs/dbraw/zinc/29/69/76/386296976.db2.gz QJKZSZDDRWMCAF-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCC1 ZINC000336667753 386296978 /nfs/dbraw/zinc/29/69/78/386296978.db2.gz QJKZSZDDRWMCAF-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000336667753 386296984 /nfs/dbraw/zinc/29/69/84/386296984.db2.gz QJKZSZDDRWMCAF-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000336667753 386296988 /nfs/dbraw/zinc/29/69/88/386296988.db2.gz QJKZSZDDRWMCAF-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647886669 386298961 /nfs/dbraw/zinc/29/89/61/386298961.db2.gz HDTOPBWGMPDFNO-FRRDWIJNSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](O)CCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336672506 386302464 /nfs/dbraw/zinc/30/24/64/386302464.db2.gz SXHKFIRSXPGUPP-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](O)CCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336672506 386302469 /nfs/dbraw/zinc/30/24/69/386302469.db2.gz SXHKFIRSXPGUPP-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](O)CCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336672506 386302473 /nfs/dbraw/zinc/30/24/73/386302473.db2.gz SXHKFIRSXPGUPP-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414737080 386303842 /nfs/dbraw/zinc/30/38/42/386303842.db2.gz IIQJHBXSUWXUAP-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000335266631 386304811 /nfs/dbraw/zinc/30/48/11/386304811.db2.gz BVTPCLQBRZXIPV-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1CCN(CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000335266631 386304814 /nfs/dbraw/zinc/30/48/14/386304814.db2.gz BVTPCLQBRZXIPV-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414736998 386305688 /nfs/dbraw/zinc/30/56/88/386305688.db2.gz ICWVVJNBWRWYQD-MGPQQGTHSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@@H+](CCCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414737721 386313805 /nfs/dbraw/zinc/31/38/05/386313805.db2.gz HPPKHCAIYBPMJJ-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@H](O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336650317 386263035 /nfs/dbraw/zinc/26/30/35/386263035.db2.gz SLHPZITVGONUFJ-SDDRHHMPSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336650317 386263036 /nfs/dbraw/zinc/26/30/36/386263036.db2.gz SLHPZITVGONUFJ-SDDRHHMPSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336650317 386263038 /nfs/dbraw/zinc/26/30/38/386263038.db2.gz SLHPZITVGONUFJ-SDDRHHMPSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336650317 386263041 /nfs/dbraw/zinc/26/30/41/386263041.db2.gz SLHPZITVGONUFJ-SDDRHHMPSA-N 2 1 214.353 1.172 20 0 BDADMP CCCO[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647884534 386266109 /nfs/dbraw/zinc/26/61/09/386266109.db2.gz BTAHZJXPLOCNPN-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336652981 386270012 /nfs/dbraw/zinc/27/00/12/386270012.db2.gz XKFGWSVHHYRIFF-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336652981 386270015 /nfs/dbraw/zinc/27/00/15/386270015.db2.gz XKFGWSVHHYRIFF-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336652981 386270019 /nfs/dbraw/zinc/27/00/19/386270019.db2.gz XKFGWSVHHYRIFF-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP CC[N@H+](CCOC)CCn1cc[nH+]c1C ZINC000336653070 386270556 /nfs/dbraw/zinc/27/05/56/386270556.db2.gz XQRIEJVGCSKSAD-UHFFFAOYSA-N 2 1 211.309 1.160 20 0 BDADMP CC[N@@H+](CCOC)CCn1cc[nH+]c1C ZINC000336653070 386270561 /nfs/dbraw/zinc/27/05/61/386270561.db2.gz XQRIEJVGCSKSAD-UHFFFAOYSA-N 2 1 211.309 1.160 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903796 386343099 /nfs/dbraw/zinc/34/30/99/386343099.db2.gz MFKLOBWCPYOLOT-UHFFFAOYSA-N 2 1 222.336 1.197 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000414747050 386348721 /nfs/dbraw/zinc/34/87/21/386348721.db2.gz RNSAIYCBXLTFNX-CYBMUJFWSA-N 2 1 244.342 1.632 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414748370 386351509 /nfs/dbraw/zinc/35/15/09/386351509.db2.gz WMSZJUAFTFGPQP-QWHCGFSZSA-N 2 1 228.380 1.597 20 0 BDADMP CC[N@@H+](CCCc1cnccc1C)CC(N)=O ZINC000289791894 386356925 /nfs/dbraw/zinc/35/69/25/386356925.db2.gz RXAUEXOXYBSTET-UHFFFAOYSA-N 2 1 235.331 1.130 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC000336696841 386377254 /nfs/dbraw/zinc/37/72/54/386377254.db2.gz HHAZULWDUPGPNW-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336696841 386377258 /nfs/dbraw/zinc/37/72/58/386377258.db2.gz HHAZULWDUPGPNW-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336696841 386377264 /nfs/dbraw/zinc/37/72/64/386377264.db2.gz HHAZULWDUPGPNW-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nn1C ZINC000414742514 386328725 /nfs/dbraw/zinc/32/87/25/386328725.db2.gz UIDFYLNHQMSOMO-GFCCVEGCSA-N 2 1 236.363 1.289 20 0 BDADMP [NH3+]CCC[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000414740661 386332424 /nfs/dbraw/zinc/33/24/24/386332424.db2.gz DIDYYBZACHRTNP-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]CCC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000414740661 386332428 /nfs/dbraw/zinc/33/24/28/386332428.db2.gz DIDYYBZACHRTNP-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H](O)CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336681456 386338502 /nfs/dbraw/zinc/33/85/02/386338502.db2.gz DSBQANXYHWMJLU-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H](O)CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000336681456 386338509 /nfs/dbraw/zinc/33/85/09/386338509.db2.gz DSBQANXYHWMJLU-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H](O)CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000336681456 386338516 /nfs/dbraw/zinc/33/85/16/386338516.db2.gz DSBQANXYHWMJLU-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CO[C@H](C)C[N@H+](CCn1cc[nH+]c1C)C(C)C ZINC000336715792 386442729 /nfs/dbraw/zinc/44/27/29/386442729.db2.gz VDNPDQXEMLPUJR-GFCCVEGCSA-N 2 1 239.363 1.937 20 0 BDADMP CO[C@H](C)C[N@@H+](CCn1cc[nH+]c1C)C(C)C ZINC000336715792 386442734 /nfs/dbraw/zinc/44/27/34/386442734.db2.gz VDNPDQXEMLPUJR-GFCCVEGCSA-N 2 1 239.363 1.937 20 0 BDADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1C ZINC000414768206 386444773 /nfs/dbraw/zinc/44/47/73/386444773.db2.gz HLSWCVVQGWZPKD-UHFFFAOYSA-N 2 1 234.343 1.925 20 0 BDADMP CC(C)n1nccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414907789 386392603 /nfs/dbraw/zinc/39/26/03/386392603.db2.gz RBWAGUGMNIVAGU-GFCCVEGCSA-N 2 1 236.363 1.696 20 0 BDADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000277065774 386405269 /nfs/dbraw/zinc/40/52/69/386405269.db2.gz NZLJEESUFNLGKH-IUCAKERBSA-N 2 1 236.319 1.069 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000290213481 386406994 /nfs/dbraw/zinc/40/69/94/386406994.db2.gz HKXUDOGAGLKMDO-IUODEOHRSA-N 2 1 248.370 1.792 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000339408425 386416157 /nfs/dbraw/zinc/41/61/57/386416157.db2.gz BADIXGWVQKFGNW-HNNXBMFYSA-N 2 1 247.386 1.993 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093466164 386416657 /nfs/dbraw/zinc/41/66/57/386416657.db2.gz LXBZTSHXDFVMES-CABZTGNLSA-N 2 1 237.347 1.912 20 0 BDADMP CCCNC(=O)C1([NH2+]C[C@H](C)[NH3+])CCCCC1 ZINC000442664652 386418859 /nfs/dbraw/zinc/41/88/59/386418859.db2.gz KMPLHQKJLLAAII-NSHDSACASA-N 2 1 241.379 1.152 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762694 386424303 /nfs/dbraw/zinc/42/43/03/386424303.db2.gz AVURYEFEPRQIDM-NDBYEHHHSA-N 2 1 208.349 1.574 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000347481801 386434976 /nfs/dbraw/zinc/43/49/76/386434976.db2.gz ACXGFGNFLYYICX-GFCCVEGCSA-N 2 1 234.347 1.123 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417350657 386487607 /nfs/dbraw/zinc/48/76/07/386487607.db2.gz AULVDFGOAFLERG-MLGHIDQZSA-N 2 1 226.364 1.218 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]CC(C)(C)COC ZINC000336779314 386499813 /nfs/dbraw/zinc/49/98/13/386499813.db2.gz NYAFTUSHVXCBBW-GFCCVEGCSA-N 2 1 230.396 1.979 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)CO ZINC000339634799 386503680 /nfs/dbraw/zinc/50/36/80/386503680.db2.gz GSSSLGQOLUIGIW-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)CO ZINC000339634799 386503684 /nfs/dbraw/zinc/50/36/84/386503684.db2.gz GSSSLGQOLUIGIW-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)CO ZINC000339634799 386503691 /nfs/dbraw/zinc/50/36/91/386503691.db2.gz GSSSLGQOLUIGIW-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899191 386508388 /nfs/dbraw/zinc/50/83/88/386508388.db2.gz CGSUNCAMWPRBDG-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899191 386508392 /nfs/dbraw/zinc/50/83/92/386508392.db2.gz CGSUNCAMWPRBDG-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP Cc1nc(F)ccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000278319071 386510311 /nfs/dbraw/zinc/51/03/11/386510311.db2.gz DTDPXDJRMCRAKO-JTQLQIEISA-N 2 1 239.338 1.959 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CCNC(C)(C)C ZINC000415026608 386517014 /nfs/dbraw/zinc/51/70/14/386517014.db2.gz UYWXLJGSCXSLCB-JTQLQIEISA-N 2 1 201.358 1.092 20 0 BDADMP C[C@@H](CCC[NH3+])NCC[NH2+]C(C)(C)C ZINC000415026608 386517020 /nfs/dbraw/zinc/51/70/20/386517020.db2.gz UYWXLJGSCXSLCB-JTQLQIEISA-N 2 1 201.358 1.092 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H](c3cccnc3)C2)CC[NH2+]C1 ZINC000335449128 386517537 /nfs/dbraw/zinc/51/75/37/386517537.db2.gz VOUCUBPNXYPZDE-GJZGRUSLSA-N 2 1 245.370 1.871 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000415041095 386527302 /nfs/dbraw/zinc/52/73/02/386527302.db2.gz QSFAPEPRDCKGBI-YABSGUDNSA-N 2 1 248.326 1.011 20 0 BDADMP CCn1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cn1 ZINC000414910841 386455002 /nfs/dbraw/zinc/45/50/02/386455002.db2.gz SURCWLQEONJZNJ-CYBMUJFWSA-N 2 1 236.363 1.382 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770134 386456793 /nfs/dbraw/zinc/45/67/93/386456793.db2.gz XTROPQCYCOZFIP-MCIONIFRSA-N 3 1 237.391 1.060 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CC(C)C ZINC000417363036 386578134 /nfs/dbraw/zinc/57/81/34/386578134.db2.gz LDUYGKWIVYQHFW-HZSPNIEDSA-N 2 1 242.407 1.977 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1(C)C)C1CC1 ZINC000336644089 386588367 /nfs/dbraw/zinc/58/83/67/386588367.db2.gz BQUNUPDVMVDTMP-GFCCVEGCSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1(C)C)C1CC1 ZINC000336644089 386588373 /nfs/dbraw/zinc/58/83/73/386588373.db2.gz BQUNUPDVMVDTMP-GFCCVEGCSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC1(C)C)C1CC1 ZINC000336644089 386588379 /nfs/dbraw/zinc/58/83/79/386588379.db2.gz BQUNUPDVMVDTMP-GFCCVEGCSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC1(C)C)C1CC1 ZINC000336644089 386588385 /nfs/dbraw/zinc/58/83/85/386588385.db2.gz BQUNUPDVMVDTMP-GFCCVEGCSA-N 2 1 226.364 1.316 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+]CC(C)(C)[NH3+])cc12 ZINC000414800356 386588443 /nfs/dbraw/zinc/58/84/43/386588443.db2.gz HSVQHOYHMHXROL-UHFFFAOYSA-N 2 1 233.319 1.093 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000519698003 386531584 /nfs/dbraw/zinc/53/15/84/386531584.db2.gz AHOUYIMUKVHDDQ-CHWSQXEVSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911669 386533680 /nfs/dbraw/zinc/53/36/80/386533680.db2.gz MFEHWYIUWSNTSR-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000414922745 386596715 /nfs/dbraw/zinc/59/67/15/386596715.db2.gz GLPNKFNKIBMSLE-BBBLOLIVSA-N 2 1 200.351 1.080 20 0 BDADMP C(=C/c1ccccc1)\C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415053364 386534218 /nfs/dbraw/zinc/53/42/18/386534218.db2.gz DSLDSPMPIURYLC-FFYXAOPGSA-N 2 1 214.312 1.507 20 0 BDADMP Cc1ccsc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415048748 386535346 /nfs/dbraw/zinc/53/53/46/386535346.db2.gz XGJYATBVRGGWTL-NSHDSACASA-N 2 1 240.372 1.525 20 0 BDADMP Cc1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1C ZINC000415047495 386535377 /nfs/dbraw/zinc/53/53/77/386535377.db2.gz ARFTUJBHLVOBBI-ZDUSSCGKSA-N 2 1 222.332 1.055 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCSC1 ZINC000415057770 386539309 /nfs/dbraw/zinc/53/93/09/386539309.db2.gz UBCAMMOSGVRQRE-GUBZILKMSA-N 2 1 200.351 1.161 20 0 BDADMP CC(C)(C)[C@@H](CN)[NH2+]Cc1ccncc1 ZINC000415061585 386540162 /nfs/dbraw/zinc/54/01/62/386540162.db2.gz YRZMFATUUBFKIF-LLVKDONJSA-N 2 1 207.321 1.545 20 0 BDADMP Oc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000335459724 386540904 /nfs/dbraw/zinc/54/09/04/386540904.db2.gz CHZVNDKCBUNDIZ-AWEZNQCLSA-N 2 1 232.327 1.579 20 0 BDADMP Cc1ncccc1C[NH2+][C@H](CN)C(C)(C)C ZINC000415061167 386541849 /nfs/dbraw/zinc/54/18/49/386541849.db2.gz YCFQBYADCZGDMX-GFCCVEGCSA-N 2 1 221.348 1.853 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414789962 386541972 /nfs/dbraw/zinc/54/19/72/386541972.db2.gz GCUMDESEXONOCB-AWEZNQCLSA-N 2 1 249.358 1.718 20 0 BDADMP c1cc2c(o1)CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335461693 386543593 /nfs/dbraw/zinc/54/35/93/386543593.db2.gz KTOYPYURWPOXAK-LLVKDONJSA-N 2 1 206.289 1.466 20 0 BDADMP CCc1ncc(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000415064601 386543700 /nfs/dbraw/zinc/54/37/00/386543700.db2.gz CYJBQRJMAMNVLP-UHFFFAOYSA-N 2 1 239.388 1.937 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415064563 386545045 /nfs/dbraw/zinc/54/50/45/386545045.db2.gz KZRIDLSGNUSPAC-DGCLKSJQSA-N 2 1 236.363 1.379 20 0 BDADMP COc1ccccc1/C=C\C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415066486 386547642 /nfs/dbraw/zinc/54/76/42/386547642.db2.gz SXJUSZMXLURCCL-OVHMKQCGSA-N 2 1 244.338 1.516 20 0 BDADMP Cc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])c(C)s1 ZINC000415065439 386547928 /nfs/dbraw/zinc/54/79/28/386547928.db2.gz GHZSGKFLECKMLR-NSHDSACASA-N 2 1 228.361 1.116 20 0 BDADMP Cc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])c(C)s1 ZINC000415065439 386547934 /nfs/dbraw/zinc/54/79/34/386547934.db2.gz GHZSGKFLECKMLR-NSHDSACASA-N 2 1 228.361 1.116 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336780472 386552429 /nfs/dbraw/zinc/55/24/29/386552429.db2.gz RKQDHIZCNXUNFI-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CC(C)[C@@H](N)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414794279 386557714 /nfs/dbraw/zinc/55/77/14/386557714.db2.gz LQOUCJJFZBSJNW-MCIGGMRASA-N 2 1 213.369 1.077 20 0 BDADMP C[C@@H](O)CCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000278656551 386560901 /nfs/dbraw/zinc/56/09/01/386560901.db2.gz MWPUQIVJNILGOR-LLVKDONJSA-N 2 1 237.347 1.398 20 0 BDADMP Cc1cccc(C[NH2+][C@@H](CN)C2CC2)c1 ZINC000414802764 386597667 /nfs/dbraw/zinc/59/76/67/386597667.db2.gz NDFDOHATJVYZEE-ZDUSSCGKSA-N 2 1 204.317 1.822 20 0 BDADMP Cc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414802764 386597671 /nfs/dbraw/zinc/59/76/71/386597671.db2.gz NDFDOHATJVYZEE-ZDUSSCGKSA-N 2 1 204.317 1.822 20 0 BDADMP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1Cl ZINC000415071921 386562874 /nfs/dbraw/zinc/56/28/74/386562874.db2.gz UTPXJNMJYJJTPL-LLVKDONJSA-N 2 1 242.750 1.400 20 0 BDADMP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1Cl ZINC000415071921 386562879 /nfs/dbraw/zinc/56/28/79/386562879.db2.gz UTPXJNMJYJJTPL-LLVKDONJSA-N 2 1 242.750 1.400 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415072058 386564472 /nfs/dbraw/zinc/56/44/72/386564472.db2.gz VFXHSUYHKDJVSS-WOPDTQHZSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000415110833 386620423 /nfs/dbraw/zinc/62/04/23/386620423.db2.gz SXPCFTFCQJBNTO-JSGCOSHPSA-N 2 1 242.407 1.843 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000415124824 386626811 /nfs/dbraw/zinc/62/68/11/386626811.db2.gz CQUJOIIYBAIKND-UHFFFAOYSA-N 2 1 232.331 1.604 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(C[NH3+])CC1 ZINC000414813732 386636825 /nfs/dbraw/zinc/63/68/25/386636825.db2.gz MSWWRSDACOZMTL-BPCQOVAHSA-N 3 1 227.396 1.611 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000415132959 386640446 /nfs/dbraw/zinc/64/04/46/386640446.db2.gz DEFFGIIIPBKEIV-XJFOESAGSA-N 2 1 240.391 1.922 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414814562 386642138 /nfs/dbraw/zinc/64/21/38/386642138.db2.gz ZHSFUNPHFQPAJY-SMDDNHRTSA-N 2 1 248.370 1.953 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCC2)CCCO1 ZINC000313343372 386648414 /nfs/dbraw/zinc/64/84/14/386648414.db2.gz BMSIMGUSPZARPL-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP Cc1cccnc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415081789 386599584 /nfs/dbraw/zinc/59/95/84/386599584.db2.gz NLMOCPLXXCDGJN-ZDUSSCGKSA-N 2 1 219.332 1.479 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414807857 386612391 /nfs/dbraw/zinc/61/23/91/386612391.db2.gz RPNJBTPMTTYTEF-WDEREUQCSA-N 2 1 222.336 1.325 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000414823727 386681427 /nfs/dbraw/zinc/68/14/27/386681427.db2.gz IXMNQWDJIVNHTL-LBPRGKRZSA-N 2 1 236.359 1.825 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCNc2ccccc21 ZINC000335468251 386684406 /nfs/dbraw/zinc/68/44/06/386684406.db2.gz OFQHDJRFIFIODT-ZWNOBZJWSA-N 2 1 219.332 1.870 20 0 BDADMP C[NH+](C)CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000042388492 386689855 /nfs/dbraw/zinc/68/98/55/386689855.db2.gz QMORJSNJSPDHOF-CQSZACIVSA-N 2 1 239.407 1.260 20 0 BDADMP C[NH+](C)CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000042388496 386692885 /nfs/dbraw/zinc/69/28/85/386692885.db2.gz QMORJSNJSPDHOF-AWEZNQCLSA-N 2 1 239.407 1.260 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCc2ccccc21 ZINC000357022671 386693609 /nfs/dbraw/zinc/69/36/09/386693609.db2.gz BJVHRYDBYQDTLF-AWEZNQCLSA-N 2 1 234.343 1.581 20 0 BDADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCOCC[NH3+] ZINC000357071208 386711869 /nfs/dbraw/zinc/71/18/69/386711869.db2.gz JNGSCYUIFPOOLH-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP COc1ccsc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414828326 386696994 /nfs/dbraw/zinc/69/69/94/386696994.db2.gz MCEIJAVLARRIPA-SNVBAGLBSA-N 2 1 240.372 1.846 20 0 BDADMP CC(C)(C)[NH2+]CCNCC[C@@H]1CCC[NH2+]C1 ZINC000414836568 386732827 /nfs/dbraw/zinc/73/28/27/386732827.db2.gz JPWUMLIHWTVNRU-LBPRGKRZSA-N 2 1 227.396 1.354 20 0 BDADMP CC(C)(C)NCC[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414836568 386732832 /nfs/dbraw/zinc/73/28/32/386732832.db2.gz JPWUMLIHWTVNRU-LBPRGKRZSA-N 2 1 227.396 1.354 20 0 BDADMP CC[N@H+](CC[NH2+]CC1(C)COC1)C(C)C ZINC000336760880 386724751 /nfs/dbraw/zinc/72/47/51/386724751.db2.gz MAQFWOOYCTYOPN-UHFFFAOYSA-N 2 1 214.353 1.343 20 0 BDADMP CC[N@@H+](CC[NH2+]CC1(C)COC1)C(C)C ZINC000336760880 386724758 /nfs/dbraw/zinc/72/47/58/386724758.db2.gz MAQFWOOYCTYOPN-UHFFFAOYSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H]2CCCO)CC[NH2+]C1 ZINC000340700388 386745640 /nfs/dbraw/zinc/74/56/40/386745640.db2.gz HOSGXFXVJZAZPG-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP COc1ccsc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414930437 386748789 /nfs/dbraw/zinc/74/87/89/386748789.db2.gz AWNXJKNTVJTPNW-UHFFFAOYSA-N 2 1 240.372 1.988 20 0 BDADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414840695 386750946 /nfs/dbraw/zinc/75/09/46/386750946.db2.gz GZEYGEGPXJWGJO-NWDGAFQWSA-N 2 1 214.353 1.533 20 0 BDADMP CCNCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414839347 386741407 /nfs/dbraw/zinc/74/14/07/386741407.db2.gz FXLKKLYSRXMCDK-ZDUSSCGKSA-N 2 1 248.370 1.752 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414839347 386741414 /nfs/dbraw/zinc/74/14/14/386741414.db2.gz FXLKKLYSRXMCDK-ZDUSSCGKSA-N 2 1 248.370 1.752 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000414838846 386741670 /nfs/dbraw/zinc/74/16/70/386741670.db2.gz LRNKLZXCOZAADD-XQQFMLRXSA-N 2 1 227.396 1.162 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000414838846 386741678 /nfs/dbraw/zinc/74/16/78/386741678.db2.gz LRNKLZXCOZAADD-XQQFMLRXSA-N 3 1 227.396 1.162 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000414838846 386741683 /nfs/dbraw/zinc/74/16/83/386741683.db2.gz LRNKLZXCOZAADD-XQQFMLRXSA-N 3 1 227.396 1.162 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1F ZINC000122305470 386742028 /nfs/dbraw/zinc/74/20/28/386742028.db2.gz RTTHBULMCQWFEZ-GHMZBOCLSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c[nH]nc21 ZINC000334143246 386743646 /nfs/dbraw/zinc/74/36/46/386743646.db2.gz RAPFSMSVVRMCSR-GHMZBOCLSA-N 2 1 244.342 1.732 20 0 BDADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CC2)s1 ZINC000336761994 386792386 /nfs/dbraw/zinc/79/23/86/386792386.db2.gz NIOBZWUNTQONIE-UHFFFAOYSA-N 2 1 225.361 1.704 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000192469868 386773177 /nfs/dbraw/zinc/77/31/77/386773177.db2.gz YWMZWJDEXLUWDA-MBNYWOFBSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000192546487 386802172 /nfs/dbraw/zinc/80/21/72/386802172.db2.gz ZYOKHKAIRKWDKW-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000192546487 386802177 /nfs/dbraw/zinc/80/21/77/386802177.db2.gz ZYOKHKAIRKWDKW-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCO)[C@H](C)C1 ZINC000192935120 386803793 /nfs/dbraw/zinc/80/37/93/386803793.db2.gz NCFYUCDKFQUMNX-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP CO[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000300039375 386803951 /nfs/dbraw/zinc/80/39/51/386803951.db2.gz GTXOWTFNCRTIRZ-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000414847182 386831571 /nfs/dbraw/zinc/83/15/71/386831571.db2.gz VKKWQDJSMHKLQA-VIFPVBQESA-N 2 1 228.286 1.910 20 0 BDADMP CS[C@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000425337492 386850443 /nfs/dbraw/zinc/85/04/43/386850443.db2.gz ADFIGHIFJXQCCN-QWRGUYRKSA-N 2 1 225.361 1.675 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000425337493 386851033 /nfs/dbraw/zinc/85/10/33/386851033.db2.gz ADFIGHIFJXQCCN-WDEREUQCSA-N 2 1 225.361 1.675 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051919141 386872409 /nfs/dbraw/zinc/87/24/09/386872409.db2.gz DQRRMQIZWMGART-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1ccc(F)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000334833815 386873238 /nfs/dbraw/zinc/87/32/38/386873238.db2.gz SOJLECNTWFIXKP-ITGUQSILSA-N 2 1 220.291 1.442 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000334837430 386878665 /nfs/dbraw/zinc/87/86/65/386878665.db2.gz MGKMGQFKCPTJEK-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCOCC1 ZINC000334864352 386919821 /nfs/dbraw/zinc/91/98/21/386919821.db2.gz OXXMLHCLOWSZEH-LBPRGKRZSA-N 2 1 226.364 1.533 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358176601 386907730 /nfs/dbraw/zinc/90/77/30/386907730.db2.gz WVXBQSCGTQOGHT-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000358176601 386907735 /nfs/dbraw/zinc/90/77/35/386907735.db2.gz WVXBQSCGTQOGHT-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000334854886 386907788 /nfs/dbraw/zinc/90/77/88/386907788.db2.gz VLGXREKIAALRMG-VXGBXAGGSA-N 2 1 220.316 1.819 20 0 BDADMP C[C@@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358259134 386921085 /nfs/dbraw/zinc/92/10/85/386921085.db2.gz ULKDDHCJKLFZDQ-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358259134 386921089 /nfs/dbraw/zinc/92/10/89/386921089.db2.gz ULKDDHCJKLFZDQ-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257539 386921661 /nfs/dbraw/zinc/92/16/61/386921661.db2.gz SASNKOAEXPEFGE-UONOGXRCSA-N 2 1 240.391 1.778 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257539 386921666 /nfs/dbraw/zinc/92/16/66/386921666.db2.gz SASNKOAEXPEFGE-UONOGXRCSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCC2)CC[N@H+]1C ZINC000358314108 386932523 /nfs/dbraw/zinc/93/25/23/386932523.db2.gz FAMIASFSXBLLBT-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000331996305 386938774 /nfs/dbraw/zinc/93/87/74/386938774.db2.gz OCAOOROJMAQXIW-IWSPIJDZSA-N 2 1 240.269 1.159 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395201223 386985357 /nfs/dbraw/zinc/98/53/57/386985357.db2.gz VZVBGVPFLFMIPN-BFHYXJOUSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@H](NC(=O)[C@H]1CCCN1C)c1ncc[nH]1 ZINC000331294495 387008809 /nfs/dbraw/zinc/00/88/09/387008809.db2.gz YCWKUKOHJGJZBV-VHSXEESVSA-N 2 1 236.319 1.071 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000334978885 387066416 /nfs/dbraw/zinc/06/64/16/387066416.db2.gz CTWLPCFIZHRRMG-OLZOCXBDSA-N 2 1 249.358 1.805 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000107980474 387038480 /nfs/dbraw/zinc/03/84/80/387038480.db2.gz BRSCWPUTIRHHJA-ZYHUDNBSSA-N 2 1 222.307 1.995 20 0 BDADMP c1cc2[nH+]ccc(N[C@H]3CC[NH2+]C3)c2s1 ZINC000334979827 387066636 /nfs/dbraw/zinc/06/66/36/387066636.db2.gz JLWHTUOJODKYFD-QMMMGPOBSA-N 2 1 219.313 1.492 20 0 BDADMP CCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369357923 387041410 /nfs/dbraw/zinc/04/14/10/387041410.db2.gz IUQKOMLHCLYNRI-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000336764471 387051497 /nfs/dbraw/zinc/05/14/97/387051497.db2.gz QAKLUXQLXGHQIE-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1cc(N(C)C[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC000334970269 387054772 /nfs/dbraw/zinc/05/47/72/387054772.db2.gz SZNHNPLJAFTFCO-ZDUSSCGKSA-N 2 1 219.332 1.920 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369555470 387055175 /nfs/dbraw/zinc/05/51/75/387055175.db2.gz CTVBPYVZFNRNSD-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369555470 387055177 /nfs/dbraw/zinc/05/51/77/387055177.db2.gz CTVBPYVZFNRNSD-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1NCC2 ZINC000336225315 387066240 /nfs/dbraw/zinc/06/62/40/387066240.db2.gz ICOAEKLRCQPGON-VXGBXAGGSA-N 2 1 245.370 1.824 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000228155188 387078335 /nfs/dbraw/zinc/07/83/35/387078335.db2.gz APKUWKBEDXOJDC-RDBSUJKOSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C(C)C ZINC000228155188 387078341 /nfs/dbraw/zinc/07/83/41/387078341.db2.gz APKUWKBEDXOJDC-RDBSUJKOSA-N 2 1 240.391 1.874 20 0 BDADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000334994870 387086144 /nfs/dbraw/zinc/08/61/44/387086144.db2.gz VSXCLHJKXVVSFR-KBPBESRZSA-N 2 1 238.375 1.631 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000418088555 387096597 /nfs/dbraw/zinc/09/65/97/387096597.db2.gz KKLMSMORRRGMAZ-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000423300473 387132609 /nfs/dbraw/zinc/13/26/09/387132609.db2.gz DYJPYWUVRHCKHM-CRWXNKLISA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)CCOCC1CC1 ZINC000119421566 387131375 /nfs/dbraw/zinc/13/13/75/387131375.db2.gz ZPLMWSUBDMKBHT-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCOCC1CC1 ZINC000119421566 387131380 /nfs/dbraw/zinc/13/13/80/387131380.db2.gz ZPLMWSUBDMKBHT-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335008952 387103197 /nfs/dbraw/zinc/10/31/97/387103197.db2.gz FKCJYXLMGBBTFM-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1cnccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228657725 387104938 /nfs/dbraw/zinc/10/49/38/387104938.db2.gz SVDHQCGXHILRQP-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228657725 387104940 /nfs/dbraw/zinc/10/49/40/387104940.db2.gz SVDHQCGXHILRQP-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370296928 387106841 /nfs/dbraw/zinc/10/68/41/387106841.db2.gz IWWPOSPBONLBLP-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370296928 387106848 /nfs/dbraw/zinc/10/68/48/387106848.db2.gz IWWPOSPBONLBLP-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCSC1)c1c[nH+]ccc1N ZINC000335025474 387116402 /nfs/dbraw/zinc/11/64/02/387116402.db2.gz SWMFGGOZFCEJHL-RKDXNWHRSA-N 2 1 223.345 1.650 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335026234 387119523 /nfs/dbraw/zinc/11/95/23/387119523.db2.gz FMJRZRVNUARLLK-CYBMUJFWSA-N 2 1 237.391 1.202 20 0 BDADMP COCC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423300733 387132100 /nfs/dbraw/zinc/13/21/00/387132100.db2.gz FFHCGRIORCVVSE-AGIUHOORSA-N 2 1 226.364 1.533 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000335030677 387124400 /nfs/dbraw/zinc/12/44/00/387124400.db2.gz NTRSOWSIEUTEGM-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000335030675 387125042 /nfs/dbraw/zinc/12/50/42/387125042.db2.gz NTRSOWSIEUTEGM-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000335030032 387125292 /nfs/dbraw/zinc/12/52/92/387125292.db2.gz MRQVHMGVJAXLAP-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353391373 387192309 /nfs/dbraw/zinc/19/23/09/387192309.db2.gz CDNJBYSEHDOWBB-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP CCOCCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000571723424 387153364 /nfs/dbraw/zinc/15/33/64/387153364.db2.gz NGEDPSMGDPCETM-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP CCOCCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000571723424 387153367 /nfs/dbraw/zinc/15/33/67/387153367.db2.gz NGEDPSMGDPCETM-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[C@H](NCC1(C)CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423322918 387164431 /nfs/dbraw/zinc/16/44/31/387164431.db2.gz HLZGRRMOXCMWSV-NWDGAFQWSA-N 2 1 225.380 1.106 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cnn(C)c1 ZINC000423323216 387164824 /nfs/dbraw/zinc/16/48/24/387164824.db2.gz OPNGKNCDINJNJX-NWDGAFQWSA-N 2 1 222.336 1.198 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423332662 387178304 /nfs/dbraw/zinc/17/83/04/387178304.db2.gz QXQFIUMBDQJVHY-FVCCEPFGSA-N 2 1 226.364 1.519 20 0 BDADMP CC(C)[C@@H]([NH2+][C@H](C)C[NH3+])c1cccnc1 ZINC000423333924 387180620 /nfs/dbraw/zinc/18/06/20/387180620.db2.gz RXAGMRCFIAXCBX-ZYHUDNBSSA-N 2 1 207.321 1.716 20 0 BDADMP COc1cccc2c1CCC[C@H]2[NH2+]CC[NH3+] ZINC000643495776 387182931 /nfs/dbraw/zinc/18/29/31/387182931.db2.gz GGZXCJPCCXUOKQ-GFCCVEGCSA-N 2 1 220.316 1.621 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1C ZINC000423335894 387183082 /nfs/dbraw/zinc/18/30/82/387183082.db2.gz SIAGTIOZCLHHGI-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000423335894 387183088 /nfs/dbraw/zinc/18/30/88/387183088.db2.gz SIAGTIOZCLHHGI-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1C ZINC000423335894 387183092 /nfs/dbraw/zinc/18/30/92/387183092.db2.gz SIAGTIOZCLHHGI-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000228831726 387133154 /nfs/dbraw/zinc/13/31/54/387133154.db2.gz ODNFTYFHGLXADF-NSHDSACASA-N 2 1 236.363 1.933 20 0 BDADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228856662 387134285 /nfs/dbraw/zinc/13/42/85/387134285.db2.gz SPPSXPBPGVCRJS-NWDGAFQWSA-N 2 1 228.380 1.874 20 0 BDADMP C1CC([C@@H]2CC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423302191 387134411 /nfs/dbraw/zinc/13/44/11/387134411.db2.gz JFIFRYGEGJYWTD-RWMBFGLXSA-N 2 1 208.349 1.907 20 0 BDADMP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000423303247 387137098 /nfs/dbraw/zinc/13/70/98/387137098.db2.gz IPMHPYZBLDWXHN-IUCAKERBSA-N 2 1 240.303 1.312 20 0 BDADMP CC1(C)[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@H]2CCCO[C@H]21 ZINC000423305478 387138935 /nfs/dbraw/zinc/13/89/35/387138935.db2.gz QSULZDFQPKPGBW-UMSGYPCISA-N 2 1 238.375 1.532 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000229936109 387204873 /nfs/dbraw/zinc/20/48/73/387204873.db2.gz HETXUOGAPBDYNE-IJLUTSLNSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000229936109 387204876 /nfs/dbraw/zinc/20/48/76/387204876.db2.gz HETXUOGAPBDYNE-IJLUTSLNSA-N 2 1 225.380 1.151 20 0 BDADMP COC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000423355066 387205822 /nfs/dbraw/zinc/20/58/22/387205822.db2.gz DTYZFRJCJLXCDZ-WOPDTQHZSA-N 2 1 214.353 1.245 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000423357095 387208756 /nfs/dbraw/zinc/20/87/56/387208756.db2.gz HSEWDQVFJQAPLL-ZYHUDNBSSA-N 2 1 222.336 1.213 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C12CCC2 ZINC000423359177 387211112 /nfs/dbraw/zinc/21/11/12/387211112.db2.gz CTYOPRYSXAKACQ-HBNTYKKESA-N 2 1 212.337 1.271 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[NH3+])CC2 ZINC000423359142 387211250 /nfs/dbraw/zinc/21/12/50/387211250.db2.gz CQAIDGJYBZWHTR-GWCFXTLKSA-N 2 1 204.317 1.919 20 0 BDADMP C[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@H+]1C1CC1 ZINC000423364142 387214787 /nfs/dbraw/zinc/21/47/87/387214787.db2.gz ATVSQSNRDRWKBH-XQHKEYJVSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CN1C1CC1 ZINC000423364142 387214791 /nfs/dbraw/zinc/21/47/91/387214791.db2.gz ATVSQSNRDRWKBH-XQHKEYJVSA-N 2 1 237.391 1.342 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423362885 387215123 /nfs/dbraw/zinc/21/51/23/387215123.db2.gz ILNAFWKYGVYRBV-HBNTYKKESA-N 2 1 214.353 1.515 20 0 BDADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423369313 387222081 /nfs/dbraw/zinc/22/20/81/387222081.db2.gz OGICHQWKKOKXDN-UWVGGRQHSA-N 2 1 235.331 1.643 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)OC ZINC000353554855 387228021 /nfs/dbraw/zinc/22/80/21/387228021.db2.gz APYQYAXNBGEDPW-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cnn(C)c1 ZINC000423325478 387228634 /nfs/dbraw/zinc/22/86/34/387228634.db2.gz JVAKEXLIFQHOSJ-DGCLKSJQSA-N 2 1 236.363 1.460 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423326859 387231889 /nfs/dbraw/zinc/23/18/89/387231889.db2.gz NBAYICIRJNMHSG-NXEZZACHSA-N 2 1 208.305 1.177 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423401351 387238791 /nfs/dbraw/zinc/23/87/91/387238791.db2.gz VZBKKRHULVVCCL-UHXUPSOCSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423401351 387238795 /nfs/dbraw/zinc/23/87/95/387238795.db2.gz VZBKKRHULVVCCL-UHXUPSOCSA-N 2 1 237.391 1.329 20 0 BDADMP CSCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000120415228 387245764 /nfs/dbraw/zinc/24/57/64/387245764.db2.gz DULYJAIKZXIVMW-UHFFFAOYSA-N 2 1 216.394 1.767 20 0 BDADMP CSCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000120415228 387245772 /nfs/dbraw/zinc/24/57/72/387245772.db2.gz DULYJAIKZXIVMW-UHFFFAOYSA-N 2 1 216.394 1.767 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCOCC1 ZINC000360236161 387248146 /nfs/dbraw/zinc/24/81/46/387248146.db2.gz AWSDQNZRPJJQKB-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCCCN1 ZINC000423465977 387312791 /nfs/dbraw/zinc/31/27/91/387312791.db2.gz AGTITRPOTRULHB-MELADBBJSA-N 2 1 239.407 1.639 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+]1C ZINC000423467223 387315183 /nfs/dbraw/zinc/31/51/83/387315183.db2.gz DIGOQQMMMBLXTR-OUAUKWLOSA-N 2 1 247.333 1.056 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@@H](C)O1 ZINC000423382808 387266275 /nfs/dbraw/zinc/26/62/75/387266275.db2.gz ITSOFNSLHVDRDE-FVCCEPFGSA-N 2 1 240.391 1.920 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000423385053 387268740 /nfs/dbraw/zinc/26/87/40/387268740.db2.gz LKKFGXNNRWZSMM-XQHKEYJVSA-N 2 1 237.391 1.471 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000423385053 387268744 /nfs/dbraw/zinc/26/87/44/387268744.db2.gz LKKFGXNNRWZSMM-XQHKEYJVSA-N 2 1 237.391 1.471 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000423386093 387272121 /nfs/dbraw/zinc/27/21/21/387272121.db2.gz RDNCNVSLBZOZIN-RFGFWPKPSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423391414 387275693 /nfs/dbraw/zinc/27/56/93/387275693.db2.gz PKAKSMGPHJUNMP-STQMWFEESA-N 3 1 241.423 1.872 20 0 BDADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[NH2+]C ZINC000423394602 387281132 /nfs/dbraw/zinc/28/11/32/387281132.db2.gz QJVGDUHPASCJFS-SDDRHHMPSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423431499 387284518 /nfs/dbraw/zinc/28/45/18/387284518.db2.gz LPSLLVQNPSAYGV-REWJHTLYSA-N 3 1 241.423 1.822 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000423431499 387284523 /nfs/dbraw/zinc/28/45/23/387284523.db2.gz LPSLLVQNPSAYGV-REWJHTLYSA-N 2 1 241.423 1.822 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]([NH3+])C2CCC2)cc[nH+]1 ZINC000423434085 387286483 /nfs/dbraw/zinc/28/64/83/387286483.db2.gz NTKHYRUXVMXCOB-LBPRGKRZSA-N 2 1 248.330 1.214 20 0 BDADMP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423439084 387287518 /nfs/dbraw/zinc/28/75/18/387287518.db2.gz SFIWPWFBUKKNJW-RQJABVFESA-N 2 1 232.302 1.620 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC)cc1 ZINC000423439464 387290295 /nfs/dbraw/zinc/29/02/95/387290295.db2.gz SHFQRZJZOCIVRP-BARDWOONSA-N 2 1 246.354 1.954 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000353924380 387299514 /nfs/dbraw/zinc/29/95/14/387299514.db2.gz BWUAVFRLTQPOED-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000423450043 387300276 /nfs/dbraw/zinc/30/02/76/387300276.db2.gz HCIYYMJDEQVWHE-IJLUTSLNSA-N 2 1 213.369 1.234 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)on1 ZINC000353947740 387301793 /nfs/dbraw/zinc/30/17/93/387301793.db2.gz OUHOQMQFHUHATO-CHWSQXEVSA-N 2 1 249.358 1.742 20 0 BDADMP CC[N@@H+](C)CCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000395701500 387308838 /nfs/dbraw/zinc/30/88/38/387308838.db2.gz BAWYCAPAKPEQEN-LLVKDONJSA-N 2 1 243.395 1.079 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423525518 387355224 /nfs/dbraw/zinc/35/52/24/387355224.db2.gz UHPGGYNIGIVIGH-GHMZBOCLSA-N 2 1 240.372 1.777 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527289 387355373 /nfs/dbraw/zinc/35/53/73/387355373.db2.gz MFPIXZDIFGAOHB-VHDGCEQUSA-N 3 1 247.386 1.459 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360859762 387360657 /nfs/dbraw/zinc/36/06/57/387360657.db2.gz OEKSEDNANPZBDU-JHJVBQTASA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360859762 387360659 /nfs/dbraw/zinc/36/06/59/387360659.db2.gz OEKSEDNANPZBDU-JHJVBQTASA-N 2 1 248.374 1.480 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423541182 387366527 /nfs/dbraw/zinc/36/65/27/387366527.db2.gz FIRTWWLCBPEPRT-FDYHWXHSSA-N 2 1 226.364 1.532 20 0 BDADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502644 387367043 /nfs/dbraw/zinc/36/70/43/387367043.db2.gz MFOXJNBYEUJQBO-MELADBBJSA-N 2 1 240.391 1.923 20 0 BDADMP CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423544186 387367991 /nfs/dbraw/zinc/36/79/91/387367991.db2.gz IDKJNXQLLCLMLM-IGQOVBAYSA-N 2 1 240.391 1.779 20 0 BDADMP C1C[C@@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)CC[N@H+]2C1 ZINC000423550959 387373441 /nfs/dbraw/zinc/37/34/41/387373441.db2.gz IVTYCPHPDVWZJK-HZSPNIEDSA-N 2 1 237.391 1.345 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423573754 387380018 /nfs/dbraw/zinc/38/00/18/387380018.db2.gz ZLUIRENGTRIXIJ-WCQYABFASA-N 3 1 225.380 1.236 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462772 387321836 /nfs/dbraw/zinc/32/18/36/387321836.db2.gz LBHJWBZPUBIVIB-GMXVVIOVSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000643462772 387321840 /nfs/dbraw/zinc/32/18/40/387321840.db2.gz LBHJWBZPUBIVIB-GMXVVIOVSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462912 387321872 /nfs/dbraw/zinc/32/18/72/387321872.db2.gz YFGKGOTXMRPPDA-YUTCNCBUSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000336497887 387323443 /nfs/dbraw/zinc/32/34/43/387323443.db2.gz FURNHEFLBJTYJL-LLVKDONJSA-N 2 1 231.343 1.435 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423483716 387330119 /nfs/dbraw/zinc/33/01/19/387330119.db2.gz YXRWJZUIVUHWJQ-XQHKEYJVSA-N 3 1 225.380 1.092 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423484898 387331141 /nfs/dbraw/zinc/33/11/41/387331141.db2.gz RGQIDVOKKQEDET-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423484898 387331144 /nfs/dbraw/zinc/33/11/44/387331144.db2.gz RGQIDVOKKQEDET-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423484901 387332435 /nfs/dbraw/zinc/33/24/35/387332435.db2.gz RGQIDVOKKQEDET-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423484901 387332437 /nfs/dbraw/zinc/33/24/37/387332437.db2.gz RGQIDVOKKQEDET-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP COC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423501956 387343371 /nfs/dbraw/zinc/34/33/71/387343371.db2.gz LQCDDXZHNRPVGR-STQMWFEESA-N 2 1 226.364 1.519 20 0 BDADMP CC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000572356851 387344186 /nfs/dbraw/zinc/34/41/86/387344186.db2.gz YINHOGFKYRJXNZ-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)[C@@H]1CC1(C)C ZINC000423516152 387349391 /nfs/dbraw/zinc/34/93/91/387349391.db2.gz NMQQOBFFKCSQJD-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423517185 387351118 /nfs/dbraw/zinc/35/11/18/387351118.db2.gz OBWZCNPWXBLTSR-KBPBESRZSA-N 2 1 239.407 1.448 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501317 387351346 /nfs/dbraw/zinc/35/13/46/387351346.db2.gz CTRBNGRTNXAKOH-HBNTYKKESA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C[NH2+]1 ZINC000306573030 387425988 /nfs/dbraw/zinc/42/59/88/387425988.db2.gz HXUZDOPKTPJPAP-GMTAPVOTSA-N 2 1 214.378 1.470 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CC1 ZINC000374423763 387453225 /nfs/dbraw/zinc/45/32/25/387453225.db2.gz XOHXCENTOHZEIR-RDBSUJKOSA-N 2 1 238.375 1.580 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000361399441 387453956 /nfs/dbraw/zinc/45/39/56/387453956.db2.gz FNXOYGHNRCRIGF-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000361399441 387453960 /nfs/dbraw/zinc/45/39/60/387453960.db2.gz FNXOYGHNRCRIGF-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361399441 387453962 /nfs/dbraw/zinc/45/39/62/387453962.db2.gz FNXOYGHNRCRIGF-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361395725 387454540 /nfs/dbraw/zinc/45/45/40/387454540.db2.gz BDIWSPHLWKBZKK-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361395725 387454544 /nfs/dbraw/zinc/45/45/44/387454544.db2.gz BDIWSPHLWKBZKK-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361395725 387454548 /nfs/dbraw/zinc/45/45/48/387454548.db2.gz BDIWSPHLWKBZKK-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122322352 387514364 /nfs/dbraw/zinc/51/43/64/387514364.db2.gz XEZYKXFAZSAPEV-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP FCCCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310093709 387534554 /nfs/dbraw/zinc/53/45/54/387534554.db2.gz GQRIKGXNPOVJJJ-ZDUSSCGKSA-N 2 1 243.370 1.106 20 0 BDADMP C[C@H](C[NH2+][C@H](C)c1cn[nH]c1)C[NH+]1CCCC1 ZINC000310309642 387538352 /nfs/dbraw/zinc/53/83/52/387538352.db2.gz TXFMSDGQXJFXSA-VXGBXAGGSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471308 387479977 /nfs/dbraw/zinc/47/99/77/387479977.db2.gz QZSNHBWHQYFBBN-IKWCTNDRSA-N 2 1 226.364 1.125 20 0 BDADMP C(C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[NH2+]C1CC1 ZINC000643508015 387482435 /nfs/dbraw/zinc/48/24/35/387482435.db2.gz ZUERLTDYGWSPBI-CHWSQXEVSA-N 2 1 208.349 1.907 20 0 BDADMP c1nc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c[nH]1 ZINC000336629773 387482888 /nfs/dbraw/zinc/48/28/88/387482888.db2.gz ZCNUWHUGRLOXMT-JQWIXIFHSA-N 2 1 221.304 1.411 20 0 BDADMP c1ncc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)[nH]1 ZINC000336629773 387482891 /nfs/dbraw/zinc/48/28/91/387482891.db2.gz ZCNUWHUGRLOXMT-JQWIXIFHSA-N 2 1 221.304 1.411 20 0 BDADMP CO[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000374698477 387483535 /nfs/dbraw/zinc/48/35/35/387483535.db2.gz JLOYVLPZZVKZIE-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507506 387486009 /nfs/dbraw/zinc/48/60/09/387486009.db2.gz GYWPIOITWORXKU-WCQYABFASA-N 2 1 226.364 1.533 20 0 BDADMP Cc1cnn(CC[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000336722304 387583074 /nfs/dbraw/zinc/58/30/74/387583074.db2.gz YCWMTGKGRYUPKM-ZDUSSCGKSA-N 2 1 238.379 1.497 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000430545496 387628433 /nfs/dbraw/zinc/62/84/33/387628433.db2.gz BCMUSACDLFYFJN-CQSZACIVSA-N 2 1 249.358 1.249 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422558480 387600536 /nfs/dbraw/zinc/60/05/36/387600536.db2.gz AUVLXBDILNYKNZ-RFGFWPKPSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422558480 387600542 /nfs/dbraw/zinc/60/05/42/387600542.db2.gz AUVLXBDILNYKNZ-RFGFWPKPSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422637597 387610902 /nfs/dbraw/zinc/61/09/02/387610902.db2.gz OZXCOXLNWNRUJM-RQJABVFESA-N 3 1 239.407 1.291 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422690349 387612656 /nfs/dbraw/zinc/61/26/56/387612656.db2.gz GDOGFQGZYDRVGU-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422690349 387612660 /nfs/dbraw/zinc/61/26/60/387612660.db2.gz GDOGFQGZYDRVGU-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422690349 387612662 /nfs/dbraw/zinc/61/26/62/387612662.db2.gz GDOGFQGZYDRVGU-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP C[N@@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000124327495 387613080 /nfs/dbraw/zinc/61/30/80/387613080.db2.gz KEUDVTICPJWEOI-UHFFFAOYSA-N 2 1 230.315 1.800 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CCC[NH2+]1 ZINC000400755636 387613359 /nfs/dbraw/zinc/61/33/59/387613359.db2.gz WXGZIFXUWUKTMK-RKDXNWHRSA-N 2 1 206.280 1.762 20 0 BDADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000643516000 387616794 /nfs/dbraw/zinc/61/67/94/387616794.db2.gz KYAHGVQAUSAZQE-LLVKDONJSA-N 2 1 234.343 1.874 20 0 BDADMP COc1cc(C)ccc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000643516001 387617433 /nfs/dbraw/zinc/61/74/33/387617433.db2.gz KYAHGVQAUSAZQE-NSHDSACASA-N 2 1 234.343 1.874 20 0 BDADMP Cc1cnc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000122930687 387620075 /nfs/dbraw/zinc/62/00/75/387620075.db2.gz TVFDTYWVXYPBEY-ONGXEEELSA-N 2 1 239.388 1.881 20 0 BDADMP CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422709675 387622623 /nfs/dbraw/zinc/62/26/23/387622623.db2.gz ZOEIHLXNVLFOSA-GRYCIOLGSA-N 2 1 241.379 1.021 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422707910 387623659 /nfs/dbraw/zinc/62/36/59/387623659.db2.gz IKFQGLSGKGAHLA-ZIAGYGMSSA-N 2 1 241.423 1.825 20 0 BDADMP CCCCN(C)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422707910 387623663 /nfs/dbraw/zinc/62/36/63/387623663.db2.gz IKFQGLSGKGAHLA-ZIAGYGMSSA-N 2 1 241.423 1.825 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422711397 387625961 /nfs/dbraw/zinc/62/59/61/387625961.db2.gz NBAPKSXJPDGYKY-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305111662 387555444 /nfs/dbraw/zinc/55/54/44/387555444.db2.gz GEBJVDUWZLMOLK-REWJHTLYSA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000305119115 387555537 /nfs/dbraw/zinc/55/55/37/387555537.db2.gz JAVFHMGPNPNBGJ-MEBFFEOJSA-N 2 1 242.407 1.712 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CC2 ZINC000305130424 387559948 /nfs/dbraw/zinc/55/99/48/387559948.db2.gz MULJAMFQHSTTJJ-DZGCQCFKSA-N 2 1 248.370 1.494 20 0 BDADMP C[C@H]([NH2+]CCC[NH3+])c1nc2ccccc2n1C ZINC000037713352 387565363 /nfs/dbraw/zinc/56/53/63/387565363.db2.gz FJTKZIHUMPERQO-JTQLQIEISA-N 2 1 232.331 1.573 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422719146 387631893 /nfs/dbraw/zinc/63/18/93/387631893.db2.gz XQFSFSNLCNHAHU-RVMXOQNASA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000422719501 387633032 /nfs/dbraw/zinc/63/30/32/387633032.db2.gz YHEVJRFIKYWPMB-HZSPNIEDSA-N 3 1 241.423 1.824 20 0 BDADMP CC[C@H]([NH2+]CCc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000422733535 387639974 /nfs/dbraw/zinc/63/99/74/387639974.db2.gz RCIDARAIZWHFSE-KBPBESRZSA-N 2 1 233.359 1.744 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000125098923 387643261 /nfs/dbraw/zinc/64/32/61/387643261.db2.gz ZXVPRCBYUXMDRZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000125098923 387643265 /nfs/dbraw/zinc/64/32/65/387643265.db2.gz ZXVPRCBYUXMDRZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000125098923 387643270 /nfs/dbraw/zinc/64/32/70/387643270.db2.gz ZXVPRCBYUXMDRZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000125098923 387643273 /nfs/dbraw/zinc/64/32/73/387643273.db2.gz ZXVPRCBYUXMDRZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000422739854 387644808 /nfs/dbraw/zinc/64/48/08/387644808.db2.gz MAWYYMCSQXKWNT-OLZOCXBDSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N(C)C ZINC000422738125 387646225 /nfs/dbraw/zinc/64/62/25/387646225.db2.gz JFKKLBQDBMCVRH-GRYCIOLGSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCO1)c1c[nH+]ccc1N ZINC000422740892 387648889 /nfs/dbraw/zinc/64/88/89/387648889.db2.gz CMLKNIJSCCQSKA-NXEZZACHSA-N 2 1 221.304 1.324 20 0 BDADMP CC[C@@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746704 387649856 /nfs/dbraw/zinc/64/98/56/387649856.db2.gz WYOYHQNTXVMIEF-YUTCNCBUSA-N 2 1 237.391 1.343 20 0 BDADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000422747406 387651527 /nfs/dbraw/zinc/65/15/27/387651527.db2.gz YMOKRHUWDOQSSO-KBPBESRZSA-N 2 1 239.407 1.578 20 0 BDADMP CCCC[N@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043401927 387653964 /nfs/dbraw/zinc/65/39/64/387653964.db2.gz CKEBTWFQPNWQDN-UHFFFAOYSA-N 2 1 240.351 1.885 20 0 BDADMP CCCC[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043401927 387653973 /nfs/dbraw/zinc/65/39/73/387653973.db2.gz CKEBTWFQPNWQDN-UHFFFAOYSA-N 2 1 240.351 1.885 20 0 BDADMP CSC[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422751110 387654888 /nfs/dbraw/zinc/65/48/88/387654888.db2.gz FDUHJWVCJLUFKW-OPRDCNLKSA-N 2 1 202.367 1.468 20 0 BDADMP CC[C@H]([NH2+]CCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000422750074 387655185 /nfs/dbraw/zinc/65/51/85/387655185.db2.gz CAXKTYZCPUQQNT-RYUDHWBXSA-N 2 1 222.336 1.003 20 0 BDADMP COC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123145190 387659002 /nfs/dbraw/zinc/65/90/02/387659002.db2.gz JPSDNPFRNBLINR-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643519712 387659246 /nfs/dbraw/zinc/65/92/46/387659246.db2.gz PMPJIUXPFMQXNT-RISCZKNCSA-N 2 1 218.344 1.871 20 0 BDADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000422758036 387661875 /nfs/dbraw/zinc/66/18/75/387661875.db2.gz DQIBDXLGZXXUFI-YNEHKIRRSA-N 2 1 240.391 1.778 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422765515 387664765 /nfs/dbraw/zinc/66/47/65/387664765.db2.gz WJAGNYYNFOFBRB-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422765515 387664768 /nfs/dbraw/zinc/66/47/68/387664768.db2.gz WJAGNYYNFOFBRB-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn2ccccc2n1 ZINC000422763461 387665800 /nfs/dbraw/zinc/66/58/00/387665800.db2.gz JAMORPZUMQVIIR-WDEREUQCSA-N 2 1 232.331 1.550 20 0 BDADMP CC[C@H](F)CN1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000440711268 387677392 /nfs/dbraw/zinc/67/73/92/387677392.db2.gz INMOKVCCXWHVOB-RYUDHWBXSA-N 2 1 246.370 1.512 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694622 387687011 /nfs/dbraw/zinc/68/70/11/387687011.db2.gz YBBSLWASIJUQOT-SAXRGWBVSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694622 387687018 /nfs/dbraw/zinc/68/70/18/387687018.db2.gz YBBSLWASIJUQOT-SAXRGWBVSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)C1CC1 ZINC000422744731 387693631 /nfs/dbraw/zinc/69/36/31/387693631.db2.gz UCECSMOOQJSHIY-FKJOKYEKSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCOC1 ZINC000356902901 387743756 /nfs/dbraw/zinc/74/37/56/387743756.db2.gz RVJJALCLYXCDIZ-JSGCOSHPSA-N 2 1 238.375 1.653 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CCCO)C1 ZINC000452117852 387743901 /nfs/dbraw/zinc/74/39/01/387743901.db2.gz IQBMBTLROCOSAB-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452117852 387743909 /nfs/dbraw/zinc/74/39/09/387743909.db2.gz IQBMBTLROCOSAB-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](CCCO)C1 ZINC000452117852 387743914 /nfs/dbraw/zinc/74/39/14/387743914.db2.gz IQBMBTLROCOSAB-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCOC1 ZINC000356902903 387744229 /nfs/dbraw/zinc/74/42/29/387744229.db2.gz RVJJALCLYXCDIZ-OCCSQVGLSA-N 2 1 238.375 1.653 20 0 BDADMP CCC[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128368727 387745238 /nfs/dbraw/zinc/74/52/38/387745238.db2.gz AHJXEIVUWGTEGC-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000422879384 387754714 /nfs/dbraw/zinc/75/47/14/387754714.db2.gz VFEKERFUYKHPSW-GMTAPVOTSA-N 2 1 214.378 1.470 20 0 BDADMP CCc1cnc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000422796949 387699554 /nfs/dbraw/zinc/69/95/54/387699554.db2.gz ZPDPCRMQXLVOII-RKDXNWHRSA-N 2 1 227.377 1.921 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000422805747 387704306 /nfs/dbraw/zinc/70/43/06/387704306.db2.gz HHTYTDZCYACAHY-TUAOUCFPSA-N 2 1 228.380 1.778 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000422805746 387705127 /nfs/dbraw/zinc/70/51/27/387705127.db2.gz HHTYTDZCYACAHY-SRVKXCTJSA-N 2 1 228.380 1.778 20 0 BDADMP COCc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422808558 387707689 /nfs/dbraw/zinc/70/76/89/387707689.db2.gz OKLZXFUNFLCZDX-KBPBESRZSA-N 2 1 234.343 1.802 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC000527740292 387707951 /nfs/dbraw/zinc/70/79/51/387707951.db2.gz RHNSYHWCZZKHKA-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422876215 387755248 /nfs/dbraw/zinc/75/52/48/387755248.db2.gz FHHXSCIQAKZTKP-QWHCGFSZSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H](NCc1cccc(C[NH+](C)C)c1)C1C[NH2+]C1 ZINC000422812828 387711905 /nfs/dbraw/zinc/71/19/05/387711905.db2.gz WZZNLFJBWUYGHR-GFCCVEGCSA-N 2 1 247.386 1.446 20 0 BDADMP CC[NH+](CC)CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356739172 387712367 /nfs/dbraw/zinc/71/23/67/387712367.db2.gz JMCGQOIQMWFUKV-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422824119 387720635 /nfs/dbraw/zinc/72/06/35/387720635.db2.gz MYIDCHLRENINNO-RYUDHWBXSA-N 2 1 215.385 1.434 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422830796 387724429 /nfs/dbraw/zinc/72/44/29/387724429.db2.gz DAQZHIDRBVIPRM-FQUUOJAGSA-N 3 1 239.407 1.576 20 0 BDADMP c1cnn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128007444 387732654 /nfs/dbraw/zinc/73/26/54/387732654.db2.gz GDALCKUHQHPTJD-CHWSQXEVSA-N 2 1 234.347 1.100 20 0 BDADMP CC[C@@H]([NH2+]CCOCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422891518 387764238 /nfs/dbraw/zinc/76/42/38/387764238.db2.gz VODHXGYPKAWKSV-OLZOCXBDSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000643527560 387765692 /nfs/dbraw/zinc/76/56/92/387765692.db2.gz OMTKQRXQZLUZGT-MNOVXSKESA-N 2 1 221.348 1.750 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000643527559 387765966 /nfs/dbraw/zinc/76/59/66/387765966.db2.gz OMTKQRXQZLUZGT-GHMZBOCLSA-N 2 1 221.348 1.750 20 0 BDADMP C[C@H]([NH2+]Cc1cnc2ccccc2c1)C1C[NH2+]C1 ZINC000422909024 387768664 /nfs/dbraw/zinc/76/86/64/387768664.db2.gz FBQQQWZTNMNBNF-NSHDSACASA-N 2 1 241.338 1.932 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422910281 387768705 /nfs/dbraw/zinc/76/87/05/387768705.db2.gz QDIWCILGBBICFQ-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422910281 387768709 /nfs/dbraw/zinc/76/87/09/387768709.db2.gz QDIWCILGBBICFQ-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422911029 387770051 /nfs/dbraw/zinc/77/00/51/387770051.db2.gz JWODGWJZEGKAKG-QWHCGFSZSA-N 2 1 233.359 1.722 20 0 BDADMP C[C@H]([NH3+])CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000643528924 387772462 /nfs/dbraw/zinc/77/24/62/387772462.db2.gz QVJVRDCYEFOLPG-YDHLFZDLSA-N 2 1 247.386 1.444 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CC12CC2 ZINC000527892089 387776338 /nfs/dbraw/zinc/77/63/38/387776338.db2.gz NAIHGOFEWWARJY-ZYHUDNBSSA-N 2 1 219.332 1.741 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422921039 387776388 /nfs/dbraw/zinc/77/63/88/387776388.db2.gz ONBYDEKPIJKHOZ-UTLUCORTSA-N 2 1 200.351 1.222 20 0 BDADMP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422928206 387780220 /nfs/dbraw/zinc/78/02/20/387780220.db2.gz JMUMVJKXJPPXIS-ZIAGYGMSSA-N 2 1 234.343 1.843 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000527945426 387781417 /nfs/dbraw/zinc/78/14/17/387781417.db2.gz RCMJDFMVJFTTNM-YPMHNXCESA-N 2 1 208.349 1.882 20 0 BDADMP C[C@@H](NC[C@H]1CCC[N@H+]1C)[C@H]1CCCC[NH2+]1 ZINC000422901525 387787396 /nfs/dbraw/zinc/78/73/96/387787396.db2.gz LFZCXGQSDWFIDM-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP CCCOc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cn1 ZINC000422978950 387789748 /nfs/dbraw/zinc/78/97/48/387789748.db2.gz LCRJIBATKGLATM-NSHDSACASA-N 2 1 249.358 1.568 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422978909 387789958 /nfs/dbraw/zinc/78/99/58/387789958.db2.gz KWWPRBPEZAJICH-IJLUTSLNSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)CC[N@H+]1C ZINC000527980427 387798893 /nfs/dbraw/zinc/79/88/93/387798893.db2.gz KAVIKMCVNZSHRW-IGJPJIBNSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880919 387758215 /nfs/dbraw/zinc/75/82/15/387758215.db2.gz XUEMCGTWQYRBRU-WVWOOGAGSA-N 2 1 237.391 1.199 20 0 BDADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643527008 387759807 /nfs/dbraw/zinc/75/98/07/387759807.db2.gz JSCSWZLSKHABCR-UWVGGRQHSA-N 2 1 235.331 1.643 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423006494 387829656 /nfs/dbraw/zinc/82/96/56/387829656.db2.gz VMGPRXOFCUMDMZ-XQQFMLRXSA-N 2 1 242.407 1.617 20 0 BDADMP CC(C)OCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423034417 387848455 /nfs/dbraw/zinc/84/84/55/387848455.db2.gz PWLFXJUXMHHKDD-STQMWFEESA-N 2 1 228.380 1.779 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423039798 387852634 /nfs/dbraw/zinc/85/26/34/387852634.db2.gz RRKRPCLMBKIGJB-ZIAGYGMSSA-N 2 1 237.391 1.226 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000433027812 387852680 /nfs/dbraw/zinc/85/26/80/387852680.db2.gz XBUBOENTJIYYPH-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CC1=CC[N@H+](CCN[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423039274 387852790 /nfs/dbraw/zinc/85/27/90/387852790.db2.gz QAKLMLZJFXKBAP-OLZOCXBDSA-N 2 1 225.380 1.354 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423039274 387852793 /nfs/dbraw/zinc/85/27/93/387852793.db2.gz QAKLMLZJFXKBAP-OLZOCXBDSA-N 2 1 225.380 1.354 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051710 387859580 /nfs/dbraw/zinc/85/95/80/387859580.db2.gz OBQBSFCNFGVDMC-RYUDHWBXSA-N 2 1 226.364 1.127 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])C(F)(F)F ZINC000423053653 387862147 /nfs/dbraw/zinc/86/21/47/387862147.db2.gz SEBYPEUVPUARLR-PRJMDXOYSA-N 2 1 210.243 1.654 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423056679 387862957 /nfs/dbraw/zinc/86/29/57/387862957.db2.gz XXZIFNLGSPHXCL-SPXIEQKPSA-N 2 1 212.337 1.044 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(F)(F)F ZINC000423053651 387863638 /nfs/dbraw/zinc/86/36/38/387863638.db2.gz SEBYPEUVPUARLR-CSMHCCOUSA-N 2 1 210.243 1.654 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000423059572 387864396 /nfs/dbraw/zinc/86/43/96/387864396.db2.gz FVTLSHNTHOKAJQ-USZNOCQGSA-N 2 1 212.337 1.020 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@@H]1CCC[NH2+]1 ZINC000423063704 387868211 /nfs/dbraw/zinc/86/82/11/387868211.db2.gz PJQHXBXNUQZVBJ-AGIUHOORSA-N 2 1 248.374 1.318 20 0 BDADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000422962942 387813818 /nfs/dbraw/zinc/81/38/18/387813818.db2.gz HECUUTXXQUDZAV-FUNVUKJBSA-N 2 1 247.342 1.463 20 0 BDADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccco1 ZINC000422963080 387814430 /nfs/dbraw/zinc/81/44/30/387814430.db2.gz HJWWGNGABMDPEG-QJPTWQEYSA-N 2 1 237.347 1.352 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423069806 387872657 /nfs/dbraw/zinc/87/26/57/387872657.db2.gz MFLANNUNQYODGV-ZRUFSTJUSA-N 2 1 200.326 1.140 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527976852 387815854 /nfs/dbraw/zinc/81/58/54/387815854.db2.gz GKJQJHZNFKUNHK-KGLIPLIRSA-N 2 1 238.375 1.770 20 0 BDADMP CCSCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423102888 387889979 /nfs/dbraw/zinc/88/99/79/387889979.db2.gz AGEMRSLMHZAMBN-QWRGUYRKSA-N 2 1 216.394 1.717 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423105126 387891610 /nfs/dbraw/zinc/89/16/10/387891610.db2.gz BUOHGNLNRXMWBU-LMLFDSFASA-N 2 1 248.317 1.877 20 0 BDADMP CCC(CC)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542476 387893624 /nfs/dbraw/zinc/89/36/24/387893624.db2.gz DKBLNUBFNDDECD-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CCC(CC)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194542476 387893629 /nfs/dbraw/zinc/89/36/29/387893629.db2.gz DKBLNUBFNDDECD-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CCC(CC)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194542476 387893631 /nfs/dbraw/zinc/89/36/31/387893631.db2.gz DKBLNUBFNDDECD-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423112239 387896256 /nfs/dbraw/zinc/89/62/56/387896256.db2.gz RUHTXIUUBSQILQ-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423080918 387875966 /nfs/dbraw/zinc/87/59/66/387875966.db2.gz UACGFNJUKUQJCI-STQMWFEESA-N 3 1 241.423 1.824 20 0 BDADMP CCN(CC)[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423083349 387878426 /nfs/dbraw/zinc/87/84/26/387878426.db2.gz FWONTDHRZDFYDF-SDDRHHMPSA-N 2 1 215.385 1.432 20 0 BDADMP CC[C@@H]([NH2+]CCc1cnccn1)[C@@H]1CCCC[NH2+]1 ZINC000423085600 387879985 /nfs/dbraw/zinc/87/99/85/387879985.db2.gz KWTTUAVXMHSCCO-KGLIPLIRSA-N 2 1 248.374 1.529 20 0 BDADMP CC[C@H]([NH2+]CCc1cnccn1)[C@@H]1CCC[NH2+]1 ZINC000423085596 387881130 /nfs/dbraw/zinc/88/11/30/387881130.db2.gz KWOXBUYQAXKPFF-STQMWFEESA-N 2 1 234.347 1.139 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423093087 387882157 /nfs/dbraw/zinc/88/21/57/387882157.db2.gz FSMKEKMGQCPDPR-XEZLXBQYSA-N 2 1 208.349 1.763 20 0 BDADMP COCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423116277 387898618 /nfs/dbraw/zinc/89/86/18/387898618.db2.gz PDEMUCTZDQAMAN-NWDGAFQWSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000423100091 387886620 /nfs/dbraw/zinc/88/66/20/387886620.db2.gz GEPSDQJROJIKMW-NHCYSSNCSA-N 2 1 236.363 1.587 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000423100089 387887066 /nfs/dbraw/zinc/88/70/66/387887066.db2.gz GEPSDQJROJIKMW-JBLDHEPKSA-N 2 1 236.363 1.587 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000423141912 387918887 /nfs/dbraw/zinc/91/88/87/387918887.db2.gz SJBCBHYYYCUREI-MJBXVCDLSA-N 2 1 241.423 1.824 20 0 BDADMP COCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423117596 387899385 /nfs/dbraw/zinc/89/93/85/387899385.db2.gz WEICHDDFDHROHL-LLVKDONJSA-N 2 1 249.358 1.961 20 0 BDADMP CC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173591743 387899941 /nfs/dbraw/zinc/89/99/41/387899941.db2.gz MSDLFYFLFSZETM-CQSZACIVSA-N 2 1 238.375 1.773 20 0 BDADMP CC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173591743 387899946 /nfs/dbraw/zinc/89/99/46/387899946.db2.gz MSDLFYFLFSZETM-CQSZACIVSA-N 2 1 238.375 1.773 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423120414 387900437 /nfs/dbraw/zinc/90/04/37/387900437.db2.gz GLBKPGAOWRIHRY-XQQFMLRXSA-N 2 1 227.396 1.445 20 0 BDADMP COc1ccncc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423125875 387904237 /nfs/dbraw/zinc/90/42/37/387904237.db2.gz IGYWWYLQCGXZAI-DGCLKSJQSA-N 2 1 249.358 1.568 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423128045 387905710 /nfs/dbraw/zinc/90/57/10/387905710.db2.gz UTPDVFHAWRUFJH-NEPJUHHUSA-N 2 1 228.380 1.637 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423130713 387906673 /nfs/dbraw/zinc/90/66/73/387906673.db2.gz YRSJHVGCJQBQLX-XQQFMLRXSA-N 2 1 229.412 1.822 20 0 BDADMP CCCCN(C)C[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423130713 387906676 /nfs/dbraw/zinc/90/66/76/387906676.db2.gz YRSJHVGCJQBQLX-XQQFMLRXSA-N 2 1 229.412 1.822 20 0 BDADMP CN(C)c1cccnc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423130801 387907710 /nfs/dbraw/zinc/90/77/10/387907710.db2.gz ZDVXXGSDMJEHOO-RYUDHWBXSA-N 2 1 248.374 1.365 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423141911 387917640 /nfs/dbraw/zinc/91/76/40/387917640.db2.gz SJBCBHYYYCUREI-MGPQQGTHSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423155063 387933828 /nfs/dbraw/zinc/93/38/28/387933828.db2.gz ISVFQFUAPYGHIT-QJPTWQEYSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]([NH2+][C@@H]1COCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423156025 387934736 /nfs/dbraw/zinc/93/47/36/387934736.db2.gz LXRSYUCZHXQGFZ-GMTAPVOTSA-N 2 1 212.337 1.142 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[C@@H]1[NH3+] ZINC000423144664 387921462 /nfs/dbraw/zinc/92/14/62/387921462.db2.gz ZJDCDAMNVSYKNE-AGIUHOORSA-N 2 1 227.396 1.576 20 0 BDADMP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H](O)CC ZINC000423167102 387952249 /nfs/dbraw/zinc/95/22/49/387952249.db2.gz WKPXFHTVEWVPRO-USZNOCQGSA-N 2 1 214.353 1.266 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423159543 387940820 /nfs/dbraw/zinc/94/08/20/387940820.db2.gz FVWMRDSHIIBAPD-WUHRBBMRSA-N 2 1 226.364 1.673 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423160467 387942082 /nfs/dbraw/zinc/94/20/82/387942082.db2.gz HKMDYVMOARCURE-RVMXOQNASA-N 2 1 226.364 1.674 20 0 BDADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423161821 387942932 /nfs/dbraw/zinc/94/29/32/387942932.db2.gz JTCFYPBYVTVVCA-WDEREUQCSA-N 2 1 235.331 1.307 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423161760 387943144 /nfs/dbraw/zinc/94/31/44/387943144.db2.gz JNYMTTYZXZOIHJ-NWDGAFQWSA-N 3 1 227.396 1.576 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423165652 387948124 /nfs/dbraw/zinc/94/81/24/387948124.db2.gz UNUPEXNIEVNONZ-WDEREUQCSA-N 2 1 228.380 1.371 20 0 BDADMP COc1cccnc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423165778 387948849 /nfs/dbraw/zinc/94/88/49/387948849.db2.gz QHOIBGXOXYUQHE-VXGBXAGGSA-N 2 1 249.358 1.697 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423166616 387950992 /nfs/dbraw/zinc/95/09/92/387950992.db2.gz RHANTASHMJKTEI-NNYUYHANSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000226926667 387951414 /nfs/dbraw/zinc/95/14/14/387951414.db2.gz DIWMYSJGLMMPMZ-JOYOIKCWSA-N 2 1 237.347 1.851 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000226926667 387951416 /nfs/dbraw/zinc/95/14/16/387951416.db2.gz DIWMYSJGLMMPMZ-JOYOIKCWSA-N 2 1 237.347 1.851 20 0 BDADMP COCC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423172103 387959313 /nfs/dbraw/zinc/95/93/13/387959313.db2.gz RIGMFXJYVXAFLC-TUAOUCFPSA-N 2 1 214.353 1.247 20 0 BDADMP C[C@@H](CCc1ccccc1F)[NH2+]CC[NH3+] ZINC000423176250 387962176 /nfs/dbraw/zinc/96/21/76/387962176.db2.gz FWAPFASCYFJBPO-JTQLQIEISA-N 2 1 210.296 1.695 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423178347 387964399 /nfs/dbraw/zinc/96/43/99/387964399.db2.gz BVJVMTDATMIFSE-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245599178 387964744 /nfs/dbraw/zinc/96/47/44/387964744.db2.gz IHPXWKKVGKMWRH-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245599178 387964746 /nfs/dbraw/zinc/96/47/46/387964746.db2.gz IHPXWKKVGKMWRH-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245599178 387964749 /nfs/dbraw/zinc/96/47/49/387964749.db2.gz IHPXWKKVGKMWRH-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1c[nH+]ccc1N ZINC000423188796 387972917 /nfs/dbraw/zinc/97/29/17/387972917.db2.gz QKJDKAXHUJQNCO-NOOOWODRSA-N 2 1 249.358 1.958 20 0 BDADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423197311 387981712 /nfs/dbraw/zinc/98/17/12/387981712.db2.gz YWEYOPPWZXXKPK-STQMWFEESA-N 2 1 236.363 1.249 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccncn2)C1 ZINC000453090651 387982249 /nfs/dbraw/zinc/98/22/49/387982249.db2.gz KQIVCKKOCCUEGX-CHWSQXEVSA-N 2 1 248.374 1.859 20 0 BDADMP CC(C)[C@@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424341346 387982427 /nfs/dbraw/zinc/98/24/27/387982427.db2.gz VBZBJMODVMQSCW-SECBINFHSA-N 2 1 238.335 1.844 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCCC[C@H]1C ZINC000453103384 387984344 /nfs/dbraw/zinc/98/43/44/387984344.db2.gz RPWNVNHGAFWADY-RQJABVFESA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423214327 387997539 /nfs/dbraw/zinc/99/75/39/387997539.db2.gz OQDYPNZMAIBJBW-FRRDWIJNSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423214327 387997542 /nfs/dbraw/zinc/99/75/42/387997542.db2.gz OQDYPNZMAIBJBW-FRRDWIJNSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@H+]1C1CC1 ZINC000424371335 387997570 /nfs/dbraw/zinc/99/75/70/387997570.db2.gz FUPJNEBRRXIZKG-OIMNJJJWSA-N 2 1 237.391 1.471 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CN1C1CC1 ZINC000424371335 387997573 /nfs/dbraw/zinc/99/75/73/387997573.db2.gz FUPJNEBRRXIZKG-OIMNJJJWSA-N 2 1 237.391 1.471 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156612595 388010990 /nfs/dbraw/zinc/01/09/90/388010990.db2.gz YKQMSXPMDWLUTG-GRYCIOLGSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156612595 388010994 /nfs/dbraw/zinc/01/09/94/388010994.db2.gz YKQMSXPMDWLUTG-GRYCIOLGSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000420411542 387999638 /nfs/dbraw/zinc/99/96/38/387999638.db2.gz RVFANXZISXYXND-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423221200 388002730 /nfs/dbraw/zinc/00/27/30/388002730.db2.gz ZHAOCNBEWCYCQT-QWRGUYRKSA-N 2 1 237.322 1.871 20 0 BDADMP COCCCC[N@@H+](C)CCCn1ccnc1C ZINC000159226851 388003216 /nfs/dbraw/zinc/00/32/16/388003216.db2.gz RMCUKVOMUKKOAA-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP COCCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000159226851 388003217 /nfs/dbraw/zinc/00/32/17/388003217.db2.gz RMCUKVOMUKKOAA-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP COCCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000159226851 388003219 /nfs/dbraw/zinc/00/32/19/388003219.db2.gz RMCUKVOMUKKOAA-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423224194 388005938 /nfs/dbraw/zinc/00/59/38/388005938.db2.gz IMQYLFXCKJHBCI-IJLUTSLNSA-N 2 1 224.348 1.143 20 0 BDADMP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1CCOC1)C(C)C ZINC000156581473 388006196 /nfs/dbraw/zinc/00/61/96/388006196.db2.gz KSVPNGQZCADZPG-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1CCOC1)C(C)C ZINC000156581473 388006203 /nfs/dbraw/zinc/00/62/03/388006203.db2.gz KSVPNGQZCADZPG-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453198522 388007570 /nfs/dbraw/zinc/00/75/70/388007570.db2.gz PCIDMXVPSNHSPZ-KGLIPLIRSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453198522 388007575 /nfs/dbraw/zinc/00/75/75/388007575.db2.gz PCIDMXVPSNHSPZ-KGLIPLIRSA-N 2 1 238.375 1.221 20 0 BDADMP COc1cc([C@H](C)[NH2+]CC[C@H](C)[NH3+])c(F)cn1 ZINC000423225583 388007743 /nfs/dbraw/zinc/00/77/43/388007743.db2.gz NJGGNUQRVCANKT-IUCAKERBSA-N 2 1 241.310 1.617 20 0 BDADMP COC(=O)c1coc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000423225899 388009654 /nfs/dbraw/zinc/00/96/54/388009654.db2.gz ORMFPHPSQZTEBP-DTWKUNHWSA-N 2 1 240.303 1.454 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400554436 388025255 /nfs/dbraw/zinc/02/52/55/388025255.db2.gz PHWRKRNXRNUGQX-XJFOESAGSA-N 2 1 240.391 1.718 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423231192 388016716 /nfs/dbraw/zinc/01/67/16/388016716.db2.gz GCBXQTPZLFXCPW-HZSPNIEDSA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423232319 388016733 /nfs/dbraw/zinc/01/67/33/388016733.db2.gz BWNKOHWGOWEWIM-VHDGCEQUSA-N 2 1 247.386 1.616 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423252153 388033007 /nfs/dbraw/zinc/03/30/07/388033007.db2.gz XDQFZZCOJZAYGX-NEPJUHHUSA-N 2 1 236.363 1.255 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000423252503 388033020 /nfs/dbraw/zinc/03/30/20/388033020.db2.gz XSAWHABLTXVZPG-QWRGUYRKSA-N 2 1 200.326 1.001 20 0 BDADMP CCOC(=O)C1(C)CCC([NH2+]CC[NH2+]C)CC1 ZINC000423252219 388034407 /nfs/dbraw/zinc/03/44/07/388034407.db2.gz XNWZJMXXUVRITA-UHFFFAOYSA-N 2 1 242.363 1.307 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1nccn1C ZINC000423265963 388044465 /nfs/dbraw/zinc/04/44/65/388044465.db2.gz BMGXMZLSBAWFCC-QJPTWQEYSA-N 2 1 236.363 1.588 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000423262612 388040532 /nfs/dbraw/zinc/04/05/32/388040532.db2.gz MWHFHHLMPNSKRA-RWMBFGLXSA-N 2 1 228.380 1.765 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423263046 388041059 /nfs/dbraw/zinc/04/10/59/388041059.db2.gz ALYYWSMUJOZNFT-UMSGYPCISA-N 2 1 227.396 1.288 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423264264 388041728 /nfs/dbraw/zinc/04/17/28/388041728.db2.gz PRTNANDUMCWNTP-OUCADQQQSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159981381 388042612 /nfs/dbraw/zinc/04/26/12/388042612.db2.gz KQFXAKGHKYXZFF-YNEHKIRRSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccncc1F ZINC000423272346 388051883 /nfs/dbraw/zinc/05/18/83/388051883.db2.gz JXOWBLQRYQDQBM-VHSXEESVSA-N 2 1 225.311 1.727 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000423273481 388052953 /nfs/dbraw/zinc/05/29/53/388052953.db2.gz IZVRGLBCYMOITR-XQQFMLRXSA-N 2 1 208.349 1.892 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423274772 388054547 /nfs/dbraw/zinc/05/45/47/388054547.db2.gz MJOGDHRIKCLNJK-NWDGAFQWSA-N 2 1 236.363 1.370 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423274774 388055003 /nfs/dbraw/zinc/05/50/03/388055003.db2.gz MJOGDHRIKCLNJK-VXGBXAGGSA-N 2 1 236.363 1.370 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423274693 388055133 /nfs/dbraw/zinc/05/51/33/388055133.db2.gz KUEURNKSHIPLRJ-BJDJZHNGSA-N 3 1 213.369 1.219 20 0 BDADMP COCC1CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000423279297 388059929 /nfs/dbraw/zinc/05/99/29/388059929.db2.gz RDYCJPSNMUOWFQ-GDKBPFBDSA-N 2 1 226.364 1.519 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423278577 388060011 /nfs/dbraw/zinc/06/00/11/388060011.db2.gz QWQIYTSIQSUZRF-RAIGVLPGSA-N 2 1 225.380 1.042 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423278577 388060014 /nfs/dbraw/zinc/06/00/14/388060014.db2.gz QWQIYTSIQSUZRF-RAIGVLPGSA-N 2 1 225.380 1.042 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423279690 388062077 /nfs/dbraw/zinc/06/20/77/388062077.db2.gz STNZGQPLQKPUHN-UWVGGRQHSA-N 2 1 225.311 1.727 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000423281003 388064290 /nfs/dbraw/zinc/06/42/90/388064290.db2.gz VFZWHKMXTMTYRB-UWVGGRQHSA-N 2 1 236.363 1.600 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423283273 388065917 /nfs/dbraw/zinc/06/59/17/388065917.db2.gz FCVICCMNIYPKNM-QWHCGFSZSA-N 2 1 239.407 1.720 20 0 BDADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccncc1 ZINC000423285504 388068891 /nfs/dbraw/zinc/06/88/91/388068891.db2.gz YIYBDVVMZQWEAW-STQMWFEESA-N 2 1 219.332 1.860 20 0 BDADMP Cc1ccncc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287356 388071505 /nfs/dbraw/zinc/07/15/05/388071505.db2.gz LRXSKBUIGJCBGG-SNVBAGLBSA-N 2 1 207.321 1.778 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1CCSC1)C1CC1 ZINC000453409395 388076208 /nfs/dbraw/zinc/07/62/08/388076208.db2.gz UBSBVDVKDVTEOQ-LLVKDONJSA-N 2 1 228.405 1.956 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423294608 388077279 /nfs/dbraw/zinc/07/72/79/388077279.db2.gz CIZYJGMKTUSDFA-XQQFMLRXSA-N 2 1 239.407 1.719 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423297089 388078331 /nfs/dbraw/zinc/07/83/31/388078331.db2.gz IRGLACPRLHCFAN-DDHJBXDOSA-N 2 1 214.353 1.659 20 0 BDADMP CN(C)c1nc(N2CCC[C@H](CC[NH3+])C2)cc[nH+]1 ZINC000085432224 388088599 /nfs/dbraw/zinc/08/85/99/388088599.db2.gz QAIRJHIJRPJMNJ-LLVKDONJSA-N 2 1 249.362 1.108 20 0 BDADMP Cn1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453599326 388089789 /nfs/dbraw/zinc/08/97/89/388089789.db2.gz QPUOKDAKSAWEPP-UHFFFAOYSA-N 2 1 235.375 1.989 20 0 BDADMP CCC(CC)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789850 388096122 /nfs/dbraw/zinc/09/61/22/388096122.db2.gz QSSIMDCYRRHLBK-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP CCC(CC)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789850 388096123 /nfs/dbraw/zinc/09/61/23/388096123.db2.gz QSSIMDCYRRHLBK-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000085789715 388096197 /nfs/dbraw/zinc/09/61/97/388096197.db2.gz BPMLUDZEMMFQMD-CYZMBNFOSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000085789715 388096200 /nfs/dbraw/zinc/09/62/00/388096200.db2.gz BPMLUDZEMMFQMD-CYZMBNFOSA-N 2 1 224.348 1.238 20 0 BDADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000086873063 388109654 /nfs/dbraw/zinc/10/96/54/388109654.db2.gz XRPOVFJZSCZYGC-LBPRGKRZSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(CO)c1 ZINC000423267280 388045076 /nfs/dbraw/zinc/04/50/76/388045076.db2.gz CTDBHCALNJCBMR-HZMBPMFUSA-N 2 1 234.343 1.567 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1C(C)(C)C1(C)C ZINC000446969920 388045565 /nfs/dbraw/zinc/04/55/65/388045565.db2.gz SHNZJCKFNLWREV-MNOVXSKESA-N 2 1 242.407 1.569 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000449243830 388162013 /nfs/dbraw/zinc/16/20/13/388162013.db2.gz NRGUQWHBGLUECT-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000449243830 388162014 /nfs/dbraw/zinc/16/20/14/388162014.db2.gz NRGUQWHBGLUECT-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449076776 388139693 /nfs/dbraw/zinc/13/96/93/388139693.db2.gz HYIFKYCEDPGGGB-YNEHKIRRSA-N 2 1 244.379 1.110 20 0 BDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC1CC1)CCO2 ZINC000646104700 388142958 /nfs/dbraw/zinc/14/29/58/388142958.db2.gz UGZWQOKHTKTRME-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)[C@@H](C)C1 ZINC000449451554 388209368 /nfs/dbraw/zinc/20/93/68/388209368.db2.gz RLBOVNAEWCGQQC-AVGNSLFASA-N 2 1 242.407 1.856 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000449569334 388234935 /nfs/dbraw/zinc/23/49/35/388234935.db2.gz BEBNIGLPCXUSRY-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1[C@H](O)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000451463254 388276009 /nfs/dbraw/zinc/27/60/09/388276009.db2.gz UVEGWHZCQJEFHR-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CCSCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000233827510 388349602 /nfs/dbraw/zinc/34/96/02/388349602.db2.gz XNRHNGDQYYTIDH-JTQLQIEISA-N 2 1 202.367 1.410 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000163541815 388364459 /nfs/dbraw/zinc/36/44/59/388364459.db2.gz RCDDHLHRFCIKDH-UTUOFQBUSA-N 2 1 214.353 1.328 20 0 BDADMP CN(C)c1cc(NC(=O)CC(C)(C)[NH3+])cc[nH+]1 ZINC000646512562 388373928 /nfs/dbraw/zinc/37/39/28/388373928.db2.gz BVDOHISAPJIRPN-UHFFFAOYSA-N 2 1 236.319 1.214 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCC(F)(F)C1 ZINC000300936986 388392844 /nfs/dbraw/zinc/39/28/44/388392844.db2.gz CUGXWOWJBZFQTR-SNVBAGLBSA-N 2 1 236.306 1.329 20 0 BDADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000315698185 388402130 /nfs/dbraw/zinc/40/21/30/388402130.db2.gz FORSYSKDPPOFBT-CQSZACIVSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322705331 388444252 /nfs/dbraw/zinc/44/42/52/388444252.db2.gz MUMGSSRYJHPZGV-OFIBSPLFSA-N 2 1 240.416 1.953 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000336345883 388457896 /nfs/dbraw/zinc/45/78/96/388457896.db2.gz HDHWVJXYTVQFAI-GJZGRUSLSA-N 3 1 249.402 1.465 20 0 BDADMP C[NH+]1CC=C(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000336345883 388457898 /nfs/dbraw/zinc/45/78/98/388457898.db2.gz HDHWVJXYTVQFAI-GJZGRUSLSA-N 3 1 249.402 1.465 20 0 BDADMP C[NH+]1CC=C(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336345883 388457900 /nfs/dbraw/zinc/45/79/00/388457900.db2.gz HDHWVJXYTVQFAI-GJZGRUSLSA-N 3 1 249.402 1.465 20 0 BDADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCO1 ZINC000336726930 388469726 /nfs/dbraw/zinc/46/97/26/388469726.db2.gz VPWAVFDWTMLWTO-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP CCc1cc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000649253112 388471069 /nfs/dbraw/zinc/47/10/69/388471069.db2.gz NCJFIHWLPSOABA-VXGBXAGGSA-N 2 1 249.358 1.321 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000295656742 388413517 /nfs/dbraw/zinc/41/35/17/388413517.db2.gz IAOLVJPAOAMDDH-LLVKDONJSA-N 2 1 221.348 1.677 20 0 BDADMP CCc1cc(N[C@H](C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000307766682 388425289 /nfs/dbraw/zinc/42/52/89/388425289.db2.gz FGNDZAXMCCCLBW-GFCCVEGCSA-N 2 1 249.358 1.777 20 0 BDADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000336886905 388427168 /nfs/dbraw/zinc/42/71/68/388427168.db2.gz CKCMLXGUCYEVRZ-CYBMUJFWSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1C[C@H]1C ZINC000322335334 388432302 /nfs/dbraw/zinc/43/23/02/388432302.db2.gz QCAQVOJFKNFEQM-MDZLAQPJSA-N 2 1 208.349 1.882 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000393522302 388432709 /nfs/dbraw/zinc/43/27/09/388432709.db2.gz QGSOOUUZVCNUDB-NAKRPEOUSA-N 2 1 232.318 1.960 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000649287338 388543859 /nfs/dbraw/zinc/54/38/59/388543859.db2.gz SHCMWTYJARNSCJ-QWHCGFSZSA-N 2 1 237.347 1.681 20 0 BDADMP Cc1sccc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000339349477 388482083 /nfs/dbraw/zinc/48/20/83/388482083.db2.gz PVXFAGAJGJKKDW-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1sccc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000339349477 388482086 /nfs/dbraw/zinc/48/20/86/388482086.db2.gz PVXFAGAJGJKKDW-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1sccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000339349477 388482088 /nfs/dbraw/zinc/48/20/88/388482088.db2.gz PVXFAGAJGJKKDW-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1sccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000339349477 388482090 /nfs/dbraw/zinc/48/20/90/388482090.db2.gz PVXFAGAJGJKKDW-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000342805884 388499373 /nfs/dbraw/zinc/49/93/73/388499373.db2.gz KXEDSFGEZFWNDR-UPJWGTAASA-N 2 1 240.391 1.610 20 0 BDADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)nc1 ZINC000345171540 388511179 /nfs/dbraw/zinc/51/11/79/388511179.db2.gz JITQSYQOCGLRLP-UHFFFAOYSA-N 2 1 231.343 1.742 20 0 BDADMP COC(=O)CC1(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000520833202 388514765 /nfs/dbraw/zinc/51/47/65/388514765.db2.gz OUGMBFJOZHISFW-MNOVXSKESA-N 2 1 240.347 1.141 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCN2CC=CCC2)CC[N@H+]1C ZINC000359037482 388556279 /nfs/dbraw/zinc/55/62/79/388556279.db2.gz QWEHEYYZKXVQCU-ZIAGYGMSSA-N 2 1 237.391 1.321 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000385061707 388573844 /nfs/dbraw/zinc/57/38/44/388573844.db2.gz UPBDZKFUKABZEG-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](OC)C1 ZINC000191782287 388670282 /nfs/dbraw/zinc/67/02/82/388670282.db2.gz XHFRQCJCOLAUPS-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](OC)C1 ZINC000191782287 388670283 /nfs/dbraw/zinc/67/02/83/388670283.db2.gz XHFRQCJCOLAUPS-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000247957838 388671482 /nfs/dbraw/zinc/67/14/82/388671482.db2.gz FVDNQNUPZUIZCM-XJFOESAGSA-N 2 1 240.391 1.610 20 0 BDADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248557737 388682816 /nfs/dbraw/zinc/68/28/16/388682816.db2.gz LQGUNSNPUSZUJB-IGQOVBAYSA-N 2 1 238.375 1.506 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1c[nH+]ccc1N ZINC000530208600 388626301 /nfs/dbraw/zinc/62/63/01/388626301.db2.gz FPESEPYPSMZMMB-RYUDHWBXSA-N 2 1 249.358 1.961 20 0 BDADMP [NH3+]CC1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530217642 388630072 /nfs/dbraw/zinc/63/00/72/388630072.db2.gz URWNAXHJPDWMLU-BPCQOVAHSA-N 2 1 237.391 1.378 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189307500 388630133 /nfs/dbraw/zinc/63/01/33/388630133.db2.gz MCBKVEJMAGFNAQ-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530217986 388630151 /nfs/dbraw/zinc/63/01/51/388630151.db2.gz HYPZGCDEEHVTKY-RYUDHWBXSA-N 2 1 224.348 1.286 20 0 BDADMP COC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530217983 388630451 /nfs/dbraw/zinc/63/04/51/388630451.db2.gz HYPZGCDEEHVTKY-NEPJUHHUSA-N 2 1 224.348 1.286 20 0 BDADMP Cc1cnccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000530223879 388634635 /nfs/dbraw/zinc/63/46/35/388634635.db2.gz INAGAPZSHIRRTN-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000530223879 388634638 /nfs/dbraw/zinc/63/46/38/388634638.db2.gz INAGAPZSHIRRTN-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000530245396 388638783 /nfs/dbraw/zinc/63/87/83/388638783.db2.gz XIAQGJXSOFLZSI-GFCCVEGCSA-N 2 1 238.375 1.820 20 0 BDADMP C[C@@H]1C[C@H](CN[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000530245088 388638816 /nfs/dbraw/zinc/63/88/16/388638816.db2.gz SSRBUQXHDGVEHA-JHJVBQTASA-N 2 1 237.391 1.249 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222603860 388640930 /nfs/dbraw/zinc/64/09/30/388640930.db2.gz SFIOXRLCQXVQNE-YNEHKIRRSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222603860 388640932 /nfs/dbraw/zinc/64/09/32/388640932.db2.gz SFIOXRLCQXVQNE-YNEHKIRRSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2(C)C)CC[N@@H+]1C ZINC000328384386 388642586 /nfs/dbraw/zinc/64/25/86/388642586.db2.gz LNTYFJYJEYSXEK-IJLUTSLNSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2(C)C)CC[N@H+]1C ZINC000328384386 388642588 /nfs/dbraw/zinc/64/25/88/388642588.db2.gz LNTYFJYJEYSXEK-IJLUTSLNSA-N 2 1 226.364 1.626 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000222680689 388643221 /nfs/dbraw/zinc/64/32/21/388643221.db2.gz YAHRIYBSWOHYLL-AVGNSLFASA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)COC)C1 ZINC000248587531 388685255 /nfs/dbraw/zinc/68/52/55/388685255.db2.gz WYHFLRGKIWMARJ-RYUDHWBXSA-N 2 1 214.353 1.200 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000247088491 388658515 /nfs/dbraw/zinc/65/85/15/388658515.db2.gz RKOFEVNHNWYZGE-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000247088491 388658517 /nfs/dbraw/zinc/65/85/17/388658517.db2.gz RKOFEVNHNWYZGE-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247095774 388658676 /nfs/dbraw/zinc/65/86/76/388658676.db2.gz RZQWFTWAZCDXSE-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1CC[C@@H](NCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247095774 388658679 /nfs/dbraw/zinc/65/86/79/388658679.db2.gz RZQWFTWAZCDXSE-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1CC[C@@H](NCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247095774 388658681 /nfs/dbraw/zinc/65/86/81/388658681.db2.gz RZQWFTWAZCDXSE-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CCn1ccnc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166269 388660180 /nfs/dbraw/zinc/66/01/80/388660180.db2.gz DESQKOVHNTXCSV-UHFFFAOYSA-N 2 1 236.363 1.334 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000128283937 388744517 /nfs/dbraw/zinc/74/45/17/388744517.db2.gz QXFSWXYKJWRIFG-ZFWWWQNUSA-N 2 1 248.370 1.995 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552357679 388696583 /nfs/dbraw/zinc/69/65/83/388696583.db2.gz MKVLRXMCBJDUAE-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552357679 388696584 /nfs/dbraw/zinc/69/65/84/388696584.db2.gz MKVLRXMCBJDUAE-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552357679 388696587 /nfs/dbraw/zinc/69/65/87/388696587.db2.gz MKVLRXMCBJDUAE-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]1CO ZINC000248941153 388699385 /nfs/dbraw/zinc/69/93/85/388699385.db2.gz NYNRJIIERZFAIW-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP FC(F)OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000194036733 388721271 /nfs/dbraw/zinc/72/12/71/388721271.db2.gz YKICSOKLRNBIDQ-GHMZBOCLSA-N 2 1 248.317 1.832 20 0 BDADMP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253233066 388810900 /nfs/dbraw/zinc/81/09/00/388810900.db2.gz LQGUNSNPUSZUJB-XUXIUFHCSA-N 2 1 238.375 1.506 20 0 BDADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129457979 388843769 /nfs/dbraw/zinc/84/37/69/388843769.db2.gz PSPOBDYMHQGCPN-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000300420432 388837071 /nfs/dbraw/zinc/83/70/71/388837071.db2.gz ITMNPIWPJUPVRD-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP COCCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129841509 388872473 /nfs/dbraw/zinc/87/24/73/388872473.db2.gz NLZAAYBVEINAEZ-OLZOCXBDSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCn2ccnc2)CC[N@H+]1C ZINC000129503258 388850486 /nfs/dbraw/zinc/85/04/86/388850486.db2.gz VCJYLTAWLZHEQU-CHWSQXEVSA-N 2 1 236.363 1.346 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268879654 389006133 /nfs/dbraw/zinc/00/61/33/389006133.db2.gz RDECVQUMEZJIMG-QWRGUYRKSA-N 2 1 225.336 1.595 20 0 BDADMP CC[NH+]1CCC(NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000223240503 535474166 /nfs/dbraw/zinc/47/41/66/535474166.db2.gz UXADNPJJXPODDL-LBPRGKRZSA-N 2 1 239.407 1.543 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261537689 533377625 /nfs/dbraw/zinc/37/76/25/533377625.db2.gz WDOVRKWXQRPASI-WOPDTQHZSA-N 2 1 226.389 1.281 20 0 BDADMP Cc1cc(N2CC[NH2+]C(C)(C)C2)nc(C)[nH+]1 ZINC000133198098 132237491 /nfs/dbraw/zinc/23/74/91/132237491.db2.gz YQNWKXNRHINZTL-UHFFFAOYSA-N 2 1 220.320 1.282 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000333919617 132245433 /nfs/dbraw/zinc/24/54/33/132245433.db2.gz PGVUOEHOSHLMST-VHSXEESVSA-N 2 1 243.314 1.004 20 0 BDADMP Cc1cc(N2CCC([C@@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000111612609 132268194 /nfs/dbraw/zinc/26/81/94/132268194.db2.gz DSHXNVLHHXTCLP-SNVBAGLBSA-N 2 1 234.347 1.657 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000336054536 134065965 /nfs/dbraw/zinc/06/59/65/134065965.db2.gz LKUCSKWSPFZCBD-QPUJVOFHSA-N 2 1 222.336 1.196 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000336054536 134065966 /nfs/dbraw/zinc/06/59/66/134065966.db2.gz LKUCSKWSPFZCBD-QPUJVOFHSA-N 2 1 222.336 1.196 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@H]1[NH3+] ZINC000336055829 134066267 /nfs/dbraw/zinc/06/62/67/134066267.db2.gz PIQNPUOWVIIDOJ-BXUZGUMPSA-N 2 1 245.370 1.824 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000336126741 134093389 /nfs/dbraw/zinc/09/33/89/134093389.db2.gz GNVCESUNUZSBJF-BXKDBHETSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000336126741 134093390 /nfs/dbraw/zinc/09/33/90/134093390.db2.gz GNVCESUNUZSBJF-BXKDBHETSA-N 2 1 237.347 1.715 20 0 BDADMP C([C@H]1CC[N@@H+]([C@@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000336180203 134119302 /nfs/dbraw/zinc/11/93/02/134119302.db2.gz JBBZASGKXXCYOS-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C([C@H]1CC[N@H+]([C@@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000336180203 134119303 /nfs/dbraw/zinc/11/93/03/134119303.db2.gz JBBZASGKXXCYOS-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H]1n1ccnc1 ZINC000336197866 134127238 /nfs/dbraw/zinc/12/72/38/134127238.db2.gz HXNWQDKSXZGDNV-NWDGAFQWSA-N 2 1 236.363 1.503 20 0 BDADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H]1n1ccnc1 ZINC000336197866 134127239 /nfs/dbraw/zinc/12/72/39/134127239.db2.gz HXNWQDKSXZGDNV-NWDGAFQWSA-N 2 1 236.363 1.503 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(CCC(=O)OC)C1 ZINC000177035691 134293706 /nfs/dbraw/zinc/29/37/06/134293706.db2.gz ZJJOPFGFXGWJHK-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)OC)C1 ZINC000177035691 134293707 /nfs/dbraw/zinc/29/37/07/134293707.db2.gz ZJJOPFGFXGWJHK-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)OC)C1 ZINC000177035691 134293708 /nfs/dbraw/zinc/29/37/08/134293708.db2.gz ZJJOPFGFXGWJHK-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)OC)C1 ZINC000177035691 134293709 /nfs/dbraw/zinc/29/37/09/134293709.db2.gz ZJJOPFGFXGWJHK-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)OC)C1 ZINC000177035691 134293710 /nfs/dbraw/zinc/29/37/10/134293710.db2.gz ZJJOPFGFXGWJHK-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnn(C)c1 ZINC000177301906 134299315 /nfs/dbraw/zinc/29/93/15/134299315.db2.gz YBAYWRLVYDVEJL-KGLIPLIRSA-N 2 1 248.374 1.479 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220340016 134301701 /nfs/dbraw/zinc/30/17/01/134301701.db2.gz CSPHSWJNPDHTAP-DGCLKSJQSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220340016 134301702 /nfs/dbraw/zinc/30/17/02/134301702.db2.gz CSPHSWJNPDHTAP-DGCLKSJQSA-N 2 1 236.363 1.633 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178976457 134314254 /nfs/dbraw/zinc/31/42/54/134314254.db2.gz OKMXISGYQRKUCF-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220959243 134315017 /nfs/dbraw/zinc/31/50/17/134315017.db2.gz PUHGDRDOVSKPQF-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220959243 134315018 /nfs/dbraw/zinc/31/50/18/134315018.db2.gz PUHGDRDOVSKPQF-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220959243 134315019 /nfs/dbraw/zinc/31/50/19/134315019.db2.gz PUHGDRDOVSKPQF-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ncc[nH]1 ZINC000221146865 134316958 /nfs/dbraw/zinc/31/69/58/134316958.db2.gz WCMJJOBFQJTFHV-SRVKXCTJSA-N 2 1 234.347 1.687 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222912822 134336016 /nfs/dbraw/zinc/33/60/16/134336016.db2.gz IPQUNRKRTJEZPF-JHJVBQTASA-N 2 1 239.407 1.541 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182185713 134342661 /nfs/dbraw/zinc/34/26/61/134342661.db2.gz XVOSWJNALVZZBV-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCSC1 ZINC000224373310 134346543 /nfs/dbraw/zinc/34/65/43/134346543.db2.gz KIRNSRQIRFFANN-LLVKDONJSA-N 2 1 240.416 1.956 20 0 BDADMP c1cn(CCC[N@H+]2CC[C@H](N3CCCC3)C2)cn1 ZINC000183171441 134349119 /nfs/dbraw/zinc/34/91/19/134349119.db2.gz IXOWKNRPUABMKD-AWEZNQCLSA-N 2 1 248.374 1.443 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CCCCCO ZINC000227116430 134372947 /nfs/dbraw/zinc/37/29/47/134372947.db2.gz DKSCAPUJZHJVEN-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCCCO ZINC000227116430 134372948 /nfs/dbraw/zinc/37/29/48/134372948.db2.gz DKSCAPUJZHJVEN-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000227077480 134374397 /nfs/dbraw/zinc/37/43/97/134374397.db2.gz HMIPZTUOTQXGQM-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)C[C@@H]1CCC[N@H+]1C ZINC000086189469 134593396 /nfs/dbraw/zinc/59/33/96/134593396.db2.gz UHFOCANZFIPYJG-STQMWFEESA-N 2 1 227.396 1.386 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248794324 135021262 /nfs/dbraw/zinc/02/12/62/135021262.db2.gz YNIJWNPZWLTDMU-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC[N@@H+]1C ZINC000250050522 135048819 /nfs/dbraw/zinc/04/88/19/135048819.db2.gz LWMZCXCTOLOJDV-RKQHYHRCSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC[N@H+]1C ZINC000250050522 135048821 /nfs/dbraw/zinc/04/88/21/135048821.db2.gz LWMZCXCTOLOJDV-RKQHYHRCSA-N 2 1 238.375 1.626 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250091032 135049498 /nfs/dbraw/zinc/04/94/98/135049498.db2.gz WTFLSUSSPXSQCJ-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CCN(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250091032 135049499 /nfs/dbraw/zinc/04/94/99/135049499.db2.gz WTFLSUSSPXSQCJ-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)COC1 ZINC000250813170 135058905 /nfs/dbraw/zinc/05/89/05/135058905.db2.gz VRVOXQQZVTXNRN-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CS1 ZINC000251673902 135073640 /nfs/dbraw/zinc/07/36/40/135073640.db2.gz AFHKPTXINZJKDM-WYUUTHIRSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CS1 ZINC000251673902 135073642 /nfs/dbraw/zinc/07/36/42/135073642.db2.gz AFHKPTXINZJKDM-WYUUTHIRSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@H]1CSCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251858566 135079153 /nfs/dbraw/zinc/07/91/53/135079153.db2.gz SFHYONGJBDWGIJ-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1C ZINC000252212782 135086497 /nfs/dbraw/zinc/08/64/97/135086497.db2.gz YNPXCVUJEZCOCF-UPJWGTAASA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1C ZINC000252212782 135086499 /nfs/dbraw/zinc/08/64/99/135086499.db2.gz YNPXCVUJEZCOCF-UPJWGTAASA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1C ZINC000252212782 135086502 /nfs/dbraw/zinc/08/65/02/135086502.db2.gz YNPXCVUJEZCOCF-UPJWGTAASA-N 2 1 237.391 1.295 20 0 BDADMP CCCCOCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697883 135094040 /nfs/dbraw/zinc/09/40/40/135094040.db2.gz JYSOKKVUVOIJRY-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CSCCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086701662 135094178 /nfs/dbraw/zinc/09/41/78/135094178.db2.gz OWLOTBXEDDEKEG-UHFFFAOYSA-N 2 1 216.394 1.671 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000252675229 135095936 /nfs/dbraw/zinc/09/59/36/135095936.db2.gz YSVXISZSSYYNNN-KGLIPLIRSA-N 2 1 231.343 1.798 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000252675229 135095937 /nfs/dbraw/zinc/09/59/37/135095937.db2.gz YSVXISZSSYYNNN-KGLIPLIRSA-N 2 1 231.343 1.798 20 0 BDADMP CC(C)(C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668159 135096045 /nfs/dbraw/zinc/09/60/45/135096045.db2.gz STIRWBLUBRJMMU-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)(C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668159 135096046 /nfs/dbraw/zinc/09/60/46/135096046.db2.gz STIRWBLUBRJMMU-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000252668309 135096234 /nfs/dbraw/zinc/09/62/34/135096234.db2.gz UJGQEAFLMIVLKR-KBPBESRZSA-N 2 1 248.374 1.619 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000252668309 135096236 /nfs/dbraw/zinc/09/62/36/135096236.db2.gz UJGQEAFLMIVLKR-KBPBESRZSA-N 2 1 248.374 1.619 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252690456 135096981 /nfs/dbraw/zinc/09/69/81/135096981.db2.gz UZMLCYFRVLLQKE-CYDGBPFRSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252690456 135096982 /nfs/dbraw/zinc/09/69/82/135096982.db2.gz UZMLCYFRVLLQKE-CYDGBPFRSA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703316 135098825 /nfs/dbraw/zinc/09/88/25/135098825.db2.gz UJDVILIIVPKLJE-UPJWGTAASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccncc1 ZINC000252715218 135101476 /nfs/dbraw/zinc/10/14/76/135101476.db2.gz UYMHCBOVIRGFFN-GXTWGEPZSA-N 2 1 233.359 1.554 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000252733009 135104630 /nfs/dbraw/zinc/10/46/30/135104630.db2.gz XMGKHLIQBKAUEV-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000252733009 135104631 /nfs/dbraw/zinc/10/46/31/135104631.db2.gz XMGKHLIQBKAUEV-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP CCOC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252741069 135105646 /nfs/dbraw/zinc/10/56/46/135105646.db2.gz KSEZDVZKHZGETA-AHPWVWPOSA-N 2 1 238.375 1.770 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252770882 135108138 /nfs/dbraw/zinc/10/81/38/135108138.db2.gz LGRBKLUTXMBCKX-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@]1(C[N@H+]2CCC3(CCC3)C2)CC[NH2+]C1 ZINC000261554515 135109092 /nfs/dbraw/zinc/10/90/92/135109092.db2.gz UIQWWGVXLBYWJZ-GFCCVEGCSA-N 2 1 208.349 1.862 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC000252848347 135112686 /nfs/dbraw/zinc/11/26/86/135112686.db2.gz GNMZVQZSKOPIIK-YIYPIFLZSA-N 2 1 238.375 1.472 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252869957 135113638 /nfs/dbraw/zinc/11/36/38/135113638.db2.gz SCBUIJYRLYLVKS-AVGNSLFASA-N 2 1 226.364 1.472 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000258884654 135135365 /nfs/dbraw/zinc/13/53/65/135135365.db2.gz GQZJEGYPKRHNMB-QWHCGFSZSA-N 2 1 204.317 1.964 20 0 BDADMP Cc1ccncc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257674196 135139478 /nfs/dbraw/zinc/13/94/78/135139478.db2.gz JFDGUTNRDKWYNF-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257674196 135139479 /nfs/dbraw/zinc/13/94/79/135139479.db2.gz JFDGUTNRDKWYNF-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ncccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257691052 135139549 /nfs/dbraw/zinc/13/95/49/135139549.db2.gz NNVYQLLBVAILMA-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257691052 135139550 /nfs/dbraw/zinc/13/95/50/135139550.db2.gz NNVYQLLBVAILMA-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000257742542 135141887 /nfs/dbraw/zinc/14/18/87/135141887.db2.gz ZDVHIDJLPDZWOM-KGLIPLIRSA-N 2 1 238.375 1.631 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261545339 135143395 /nfs/dbraw/zinc/14/33/95/135143395.db2.gz FYWYWJSIAOCGHK-SMDDNHRTSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000261545338 135143557 /nfs/dbraw/zinc/14/35/57/135143557.db2.gz FYWYWJSIAOCGHK-RISCZKNCSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000261532080 135161505 /nfs/dbraw/zinc/16/15/05/135161505.db2.gz JAQWPZSOUAWLQS-GXFFZTMASA-N 2 1 204.317 1.953 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000261532080 135161506 /nfs/dbraw/zinc/16/15/06/135161506.db2.gz JAQWPZSOUAWLQS-GXFFZTMASA-N 2 1 204.317 1.953 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000261532081 135161800 /nfs/dbraw/zinc/16/18/00/135161800.db2.gz JAQWPZSOUAWLQS-MFKMUULPSA-N 2 1 204.317 1.953 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000261532081 135161802 /nfs/dbraw/zinc/16/18/02/135161802.db2.gz JAQWPZSOUAWLQS-MFKMUULPSA-N 2 1 204.317 1.953 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000261532440 135162280 /nfs/dbraw/zinc/16/22/80/135162280.db2.gz BMEWYWSUQLJXTR-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CCc1cc(NC[C@H](C)[NH2+]C)nc(C)[nH+]1 ZINC000261532223 135162718 /nfs/dbraw/zinc/16/27/18/135162718.db2.gz JRUXQJMHTAEYAD-QMMMGPOBSA-N 2 1 208.309 1.367 20 0 BDADMP CN(Cc1noc(C[NH3+])n1)CC1CCCC1 ZINC000261532976 135164468 /nfs/dbraw/zinc/16/44/68/135164468.db2.gz FEQXTBXKBDPEEU-UHFFFAOYSA-N 2 1 224.308 1.150 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H](C)O ZINC000269680744 135166394 /nfs/dbraw/zinc/16/63/94/135166394.db2.gz DUHVBTXZYYCVTK-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H](C)O ZINC000269680744 135166395 /nfs/dbraw/zinc/16/63/95/135166395.db2.gz DUHVBTXZYYCVTK-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)[C@H](C)[NH3+] ZINC000261535823 135170430 /nfs/dbraw/zinc/17/04/30/135170430.db2.gz PHZHYRZJNBMEFY-OPQQBVKSSA-N 2 1 204.317 1.999 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000261535700 135170532 /nfs/dbraw/zinc/17/05/32/135170532.db2.gz PCDQAZNZUQFFBE-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000261538992 135176845 /nfs/dbraw/zinc/17/68/45/135176845.db2.gz BHQKFWYAGSLIER-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000261538990 135177287 /nfs/dbraw/zinc/17/72/87/135177287.db2.gz BHQKFWYAGSLIER-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP CCOC(=O)C[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261539617 135178908 /nfs/dbraw/zinc/17/89/08/135178908.db2.gz AMVGFWVXKXOWTB-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000261540354 135179149 /nfs/dbraw/zinc/17/91/49/135179149.db2.gz GFRGGDJNIFQADD-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1CSCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261540850 135179913 /nfs/dbraw/zinc/17/99/13/135179913.db2.gz FJHVZNNDILCIFP-LLVKDONJSA-N 2 1 228.405 1.671 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000261540959 135180459 /nfs/dbraw/zinc/18/04/59/135180459.db2.gz ASEXFAYHKQSRKF-CYBMUJFWSA-N 2 1 233.359 1.868 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261542157 135182816 /nfs/dbraw/zinc/18/28/16/135182816.db2.gz BWNDORPPFRHSFD-HUUCEWRRSA-N 2 1 230.355 1.770 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544372 135185384 /nfs/dbraw/zinc/18/53/84/135185384.db2.gz DVLCVNPOGCKNSJ-CYZMBNFOSA-N 2 1 235.331 1.461 20 0 BDADMP CC[C@]1(C)CCC[N@@H+](CCOCC[NH3+])C1 ZINC000261550810 135190109 /nfs/dbraw/zinc/19/01/09/135190109.db2.gz PSRUULYPNHWSGQ-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)[C@H](C)[NH3+] ZINC000261551596 135190817 /nfs/dbraw/zinc/19/08/17/135190817.db2.gz MIHSMHJSPLWEJH-AEJSXWLSSA-N 2 1 236.315 1.802 20 0 BDADMP C[N@H+](Cc1ccon1)CC1CC[NH2+]CC1 ZINC000261553822 135193598 /nfs/dbraw/zinc/19/35/98/135193598.db2.gz SVQZHBOHIHRZIP-UHFFFAOYSA-N 2 1 209.293 1.106 20 0 BDADMP C[C@@H]1CCSCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261555760 135195636 /nfs/dbraw/zinc/19/56/36/135195636.db2.gz VGMMKGVHAFETMV-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(C)[nH+]1 ZINC000261557144 135198033 /nfs/dbraw/zinc/19/80/33/135198033.db2.gz RGYIDGVIBQJPDK-VXGBXAGGSA-N 2 1 232.331 1.139 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261562419 135204222 /nfs/dbraw/zinc/20/42/22/135204222.db2.gz BGVZUBQEFSETFD-GHMZBOCLSA-N 2 1 237.372 1.493 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261562419 135204224 /nfs/dbraw/zinc/20/42/24/135204224.db2.gz BGVZUBQEFSETFD-GHMZBOCLSA-N 2 1 237.372 1.493 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261565226 135207287 /nfs/dbraw/zinc/20/72/87/135207287.db2.gz CYNXXJPPPIUAFA-VHSXEESVSA-N 2 1 237.734 1.781 20 0 BDADMP C(C[N@H+]1CCC2(C1)CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000261567058 135209190 /nfs/dbraw/zinc/20/91/90/135209190.db2.gz ZLYDQPRQHGXWJG-ZDUSSCGKSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261567837 135209429 /nfs/dbraw/zinc/20/94/29/135209429.db2.gz ITFFOCLJFVNHRC-KKUMJFAQSA-N 2 1 245.370 1.949 20 0 BDADMP Cc1cccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH+]1 ZINC000261569514 135211446 /nfs/dbraw/zinc/21/14/46/135211446.db2.gz GIQGLBSFKMYXQX-VXGBXAGGSA-N 2 1 217.316 1.578 20 0 BDADMP Cn1cc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261569887 135211848 /nfs/dbraw/zinc/21/18/48/135211848.db2.gz KCFMJVFORBCBOF-JSGCOSHPSA-N 2 1 248.374 1.557 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261573406 135215908 /nfs/dbraw/zinc/21/59/08/135215908.db2.gz IUFKMNGLDPXLOR-WCQYABFASA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2cccnc2)C1 ZINC000261576664 135218575 /nfs/dbraw/zinc/21/85/75/135218575.db2.gz KMUWDTCYXIPAQA-ZDUSSCGKSA-N 2 1 219.332 1.295 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261576784 135218752 /nfs/dbraw/zinc/21/87/52/135218752.db2.gz NZTQZTWGAOCNLZ-VXGBXAGGSA-N 2 1 247.342 1.137 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261576784 135218753 /nfs/dbraw/zinc/21/87/53/135218753.db2.gz NZTQZTWGAOCNLZ-VXGBXAGGSA-N 2 1 247.342 1.137 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261580658 135221806 /nfs/dbraw/zinc/22/18/06/135221806.db2.gz NBIQFEDYPOCWMC-CMPLNLGQSA-N 2 1 219.332 1.559 20 0 BDADMP Cn1cc([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000261583403 135224101 /nfs/dbraw/zinc/22/41/01/135224101.db2.gz RRUWPGLOOKLMPY-KGLIPLIRSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1cc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000261583403 135224102 /nfs/dbraw/zinc/22/41/02/135224102.db2.gz RRUWPGLOOKLMPY-KGLIPLIRSA-N 2 1 248.374 1.557 20 0 BDADMP C[C@@H]1C[C@@H](N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000261584833 135225854 /nfs/dbraw/zinc/22/58/54/135225854.db2.gz QBGLPVOWVIQHCW-MNOVXSKESA-N 2 1 213.369 1.138 20 0 BDADMP COCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164392589 135226582 /nfs/dbraw/zinc/22/65/82/135226582.db2.gz JBGNIOJYOZUUSS-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261587929 135228215 /nfs/dbraw/zinc/22/82/15/135228215.db2.gz RYUNGSWYDMZDAM-PWSUYJOCSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ncsc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261589968 135231211 /nfs/dbraw/zinc/23/12/11/135231211.db2.gz UGCBDMBVNAIXCF-LLVKDONJSA-N 2 1 239.388 1.929 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000261592092 135232731 /nfs/dbraw/zinc/23/27/31/135232731.db2.gz YEZWVTGXAMXKMB-PWSUYJOCSA-N 2 1 248.326 1.503 20 0 BDADMP CCCO[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])CC1 ZINC000261594272 135234010 /nfs/dbraw/zinc/23/40/10/135234010.db2.gz XKQFBDBXQAMNDX-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CCCO[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])CC1 ZINC000261594272 135234012 /nfs/dbraw/zinc/23/40/12/135234012.db2.gz XKQFBDBXQAMNDX-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261596174 135235830 /nfs/dbraw/zinc/23/58/30/135235830.db2.gz YOVHKFXWZPGIFH-VXGBXAGGSA-N 2 1 212.337 1.084 20 0 BDADMP Fc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261545932 135237430 /nfs/dbraw/zinc/23/74/30/135237430.db2.gz GKBVEKFFQSZRHF-STQMWFEESA-N 2 1 234.318 1.867 20 0 BDADMP Fc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261545932 135237431 /nfs/dbraw/zinc/23/74/31/135237431.db2.gz GKBVEKFFQSZRHF-STQMWFEESA-N 2 1 234.318 1.867 20 0 BDADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccon2)CC1 ZINC000261546020 135238444 /nfs/dbraw/zinc/23/84/44/135238444.db2.gz KOHYSXGMBFFXCS-SECBINFHSA-N 2 1 209.293 1.234 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000261645531 135242979 /nfs/dbraw/zinc/24/29/79/135242979.db2.gz XNEHSGACFPHNBZ-WDEREUQCSA-N 2 1 237.347 1.762 20 0 BDADMP C[C@H](CNC1=[NH+]CCCN1)[N@H+]1CCC[C@H](C)C1 ZINC000261699472 135247011 /nfs/dbraw/zinc/24/70/11/135247011.db2.gz CJMWWFSCWRTOFE-NWDGAFQWSA-N 2 1 238.379 1.046 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000261728734 135248163 /nfs/dbraw/zinc/24/81/63/135248163.db2.gz OEHLCPQZYUHTKL-AWEZNQCLSA-N 2 1 244.342 1.734 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261734710 135249183 /nfs/dbraw/zinc/24/91/83/135249183.db2.gz HPNGHVSAAIGICJ-XBFCOCLRSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261734710 135249185 /nfs/dbraw/zinc/24/91/85/135249185.db2.gz HPNGHVSAAIGICJ-XBFCOCLRSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261749224 135249793 /nfs/dbraw/zinc/24/97/93/135249793.db2.gz CBSKYKYCVNPEET-ZIAGYGMSSA-N 2 1 240.391 1.471 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261821872 135255140 /nfs/dbraw/zinc/25/51/40/135255140.db2.gz XZSRQJUCXCZVFC-OAHLLOKOSA-N 2 1 245.370 1.825 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261819443 135255434 /nfs/dbraw/zinc/25/54/34/135255434.db2.gz IGYYTWGFLNBVTL-AWEZNQCLSA-N 2 1 240.391 1.471 20 0 BDADMP COC(=O)[C@@]1(C)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261835701 135256210 /nfs/dbraw/zinc/25/62/10/135256210.db2.gz JJSIECQNWOHUCO-CYBMUJFWSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@H]([NH3+])CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000261852150 135256867 /nfs/dbraw/zinc/25/68/67/135256867.db2.gz OVGGQTFKQMHTQX-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H](CNC1=[NH+]CCCN1)[N@H+]1CCCC[C@H]1C ZINC000261872596 135259070 /nfs/dbraw/zinc/25/90/70/135259070.db2.gz PDCCTNXEGVWDJD-NEPJUHHUSA-N 2 1 238.379 1.188 20 0 BDADMP c1cn(C[C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261932041 135264193 /nfs/dbraw/zinc/26/41/93/135264193.db2.gz LREIKDXLGGILBN-KGLIPLIRSA-N 3 1 248.374 1.347 20 0 BDADMP CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261953969 135266376 /nfs/dbraw/zinc/26/63/76/135266376.db2.gz GKFAVNJUEIDVRW-YPMHNXCESA-N 2 1 242.363 1.260 20 0 BDADMP Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[NH2+]C1 ZINC000079047927 135268031 /nfs/dbraw/zinc/26/80/31/135268031.db2.gz CJIIPZUIOFVLGM-NSHDSACASA-N 2 1 244.342 1.985 20 0 BDADMP CCN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000261978237 135269033 /nfs/dbraw/zinc/26/90/33/135269033.db2.gz RBXDFVFJULENBW-GFCCVEGCSA-N 2 1 248.374 1.318 20 0 BDADMP CCN(C)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000261978237 135269035 /nfs/dbraw/zinc/26/90/35/135269035.db2.gz RBXDFVFJULENBW-GFCCVEGCSA-N 2 1 248.374 1.318 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261975079 135269198 /nfs/dbraw/zinc/26/91/98/135269198.db2.gz QQXZKNKRAPZIBB-MNOVXSKESA-N 2 1 242.363 1.245 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261998122 135271161 /nfs/dbraw/zinc/27/11/61/135271161.db2.gz TVQNWBLQSCWQFF-FPMFFAJLSA-N 2 1 248.374 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261998122 135271163 /nfs/dbraw/zinc/27/11/63/135271163.db2.gz TVQNWBLQSCWQFF-FPMFFAJLSA-N 2 1 248.374 1.633 20 0 BDADMP CCC[N@@H+](CC[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000262034456 135274747 /nfs/dbraw/zinc/27/47/47/135274747.db2.gz XPDUGSUPXMLPLM-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1C ZINC000262037171 135275312 /nfs/dbraw/zinc/27/53/12/135275312.db2.gz XWZIWWDNVXVWIQ-CQSZACIVSA-N 2 1 239.407 1.258 20 0 BDADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)on1 ZINC000334313669 135351656 /nfs/dbraw/zinc/35/16/56/135351656.db2.gz YFEJDVBPNURQRW-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000335354131 135411317 /nfs/dbraw/zinc/41/13/17/135411317.db2.gz GCHMWYFUFXAGIY-GFCCVEGCSA-N 2 1 238.375 1.770 20 0 BDADMP CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343245314 135462449 /nfs/dbraw/zinc/46/24/49/135462449.db2.gz BUSUUASGNMBQRS-UPJWGTAASA-N 2 1 226.364 1.533 20 0 BDADMP Cc1c(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cnn1C ZINC000335017908 135878350 /nfs/dbraw/zinc/87/83/50/135878350.db2.gz BBWKFJHJMMDCQY-OLZOCXBDSA-N 2 1 236.363 1.478 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)[C@H](C)C1 ZINC000348185647 136044640 /nfs/dbraw/zinc/04/46/40/136044640.db2.gz QGSOOUUZVCNUDB-CHWFTXMASA-N 2 1 232.318 1.960 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC000335569730 136108603 /nfs/dbraw/zinc/10/86/03/136108603.db2.gz DAKKXWSPMIAGPM-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000335569730 136108604 /nfs/dbraw/zinc/10/86/04/136108604.db2.gz DAKKXWSPMIAGPM-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000335569730 136108605 /nfs/dbraw/zinc/10/86/05/136108605.db2.gz DAKKXWSPMIAGPM-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC[NH2+]C1 ZINC000647514050 397771408 /nfs/dbraw/zinc/77/14/08/397771408.db2.gz DHNLECZQGVWBJP-TZMCWYRMSA-N 2 1 248.374 1.589 20 0 BDADMP c1cc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647514038 397771651 /nfs/dbraw/zinc/77/16/51/397771651.db2.gz AYZWPHMQMHBVCX-STQMWFEESA-N 2 1 248.374 1.589 20 0 BDADMP C[C@@H]1[C@H](C)N(C[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000649573197 397965331 /nfs/dbraw/zinc/96/53/31/397965331.db2.gz XIVZMWRSPDPRRD-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000649547188 397938463 /nfs/dbraw/zinc/93/84/63/397938463.db2.gz NIZGKKQYSUEZKD-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000649547188 397938467 /nfs/dbraw/zinc/93/84/67/397938467.db2.gz NIZGKKQYSUEZKD-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000649547188 397938468 /nfs/dbraw/zinc/93/84/68/397938468.db2.gz NIZGKKQYSUEZKD-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156882525 397926780 /nfs/dbraw/zinc/92/67/80/397926780.db2.gz CISAFUFOWDBYMA-WRWGMCAJSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156882525 397926786 /nfs/dbraw/zinc/92/67/86/397926786.db2.gz CISAFUFOWDBYMA-WRWGMCAJSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H](C)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373311681 398020445 /nfs/dbraw/zinc/02/04/45/398020445.db2.gz SUGAUWDUUGACDU-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@](C)(F)C2)CC[NH2+]1 ZINC000414764838 398027885 /nfs/dbraw/zinc/02/78/85/398027885.db2.gz BEKXLAOCUFVXLT-AGIUHOORSA-N 2 1 243.370 1.008 20 0 BDADMP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]1 ZINC000414764838 398027890 /nfs/dbraw/zinc/02/78/90/398027890.db2.gz BEKXLAOCUFVXLT-AGIUHOORSA-N 2 1 243.370 1.008 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414829650 398050953 /nfs/dbraw/zinc/05/09/53/398050953.db2.gz MYGJRIHPKATSQT-IUCAKERBSA-N 2 1 224.270 1.917 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000527105195 398113621 /nfs/dbraw/zinc/11/36/21/398113621.db2.gz ZXKBFHMCKHMMRT-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000527105195 398113625 /nfs/dbraw/zinc/11/36/25/398113625.db2.gz ZXKBFHMCKHMMRT-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000527105195 398113629 /nfs/dbraw/zinc/11/36/29/398113629.db2.gz ZXKBFHMCKHMMRT-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000527105195 398113632 /nfs/dbraw/zinc/11/36/32/398113632.db2.gz ZXKBFHMCKHMMRT-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414969926 398132112 /nfs/dbraw/zinc/13/21/12/398132112.db2.gz FTSIBVMUCAHKLM-BFHYXJOUSA-N 2 1 241.423 1.694 20 0 BDADMP Cn1cnc2cc(C[NH2+]CC(C)(C)[NH3+])ccc21 ZINC000258794755 322877637 /nfs/dbraw/zinc/87/76/37/322877637.db2.gz JRBUEJVVIGLXSW-UHFFFAOYSA-N 2 1 232.331 1.400 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N[C@H]1CCC[NH2+]C1 ZINC000260052754 322883423 /nfs/dbraw/zinc/88/34/23/322883423.db2.gz DWGTXCKTVLZXOQ-JTQLQIEISA-N 2 1 249.314 1.422 20 0 BDADMP OCCC1([NH2+]Cc2c[nH]cn2)CCCC1 ZINC000308873200 487570911 /nfs/dbraw/zinc/57/09/11/487570911.db2.gz LQRZNLCSAIZRBT-UHFFFAOYSA-N 2 1 209.293 1.195 20 0 BDADMP C([NH2+][C@@H]1CCCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000308866153 487570962 /nfs/dbraw/zinc/57/09/62/487570962.db2.gz XARUIWNZJSZGMK-NEPJUHHUSA-N 2 1 212.337 1.287 20 0 BDADMP CC(C)OCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374616285 167231118 /nfs/dbraw/zinc/23/11/18/167231118.db2.gz YPJHBQGWMNEPMU-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)OCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374616285 167231119 /nfs/dbraw/zinc/23/11/19/167231119.db2.gz YPJHBQGWMNEPMU-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)OCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000147522018 167232798 /nfs/dbraw/zinc/23/27/98/167232798.db2.gz KPIYYETZVAMBBB-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662264209 409560405 /nfs/dbraw/zinc/56/04/05/409560405.db2.gz CGIUPBSCYXOKQU-RAIGVLPGSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@H+](CCC(=O)Nc1ccccc1)CC(C)(C)[NH3+] ZINC000662293999 409625027 /nfs/dbraw/zinc/62/50/27/409625027.db2.gz ZBHGMDQAOTZQBM-UHFFFAOYSA-N 2 1 249.358 1.684 20 0 BDADMP C[N@@H+](CCC(=O)Nc1ccccc1)CC(C)(C)[NH3+] ZINC000662293999 409625036 /nfs/dbraw/zinc/62/50/36/409625036.db2.gz ZBHGMDQAOTZQBM-UHFFFAOYSA-N 2 1 249.358 1.684 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662273188 409580504 /nfs/dbraw/zinc/58/05/04/409580504.db2.gz MKUHWSDEEAQJRN-UWVGGRQHSA-N 2 1 234.290 1.081 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662273188 409580512 /nfs/dbraw/zinc/58/05/12/409580512.db2.gz MKUHWSDEEAQJRN-UWVGGRQHSA-N 2 1 234.290 1.081 20 0 BDADMP Cn1c[nH+]cc1CCCN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662275331 409585153 /nfs/dbraw/zinc/58/51/53/409585153.db2.gz AMBIQGJOTJXRLC-JSGCOSHPSA-N 2 1 248.374 1.037 20 0 BDADMP C1=CCC(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662276417 409591609 /nfs/dbraw/zinc/59/16/09/409591609.db2.gz MMAWBWSWTWUAAM-CHWSQXEVSA-N 2 1 206.333 1.636 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CC1(C)C ZINC000662344741 409658061 /nfs/dbraw/zinc/65/80/61/409658061.db2.gz SEGIGUAZJDSJQB-NWDGAFQWSA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CC1(C)C ZINC000662344741 409658072 /nfs/dbraw/zinc/65/80/72/409658072.db2.gz SEGIGUAZJDSJQB-NWDGAFQWSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662344741 409658080 /nfs/dbraw/zinc/65/80/80/409658080.db2.gz SEGIGUAZJDSJQB-NWDGAFQWSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662344741 409658089 /nfs/dbraw/zinc/65/80/89/409658089.db2.gz SEGIGUAZJDSJQB-NWDGAFQWSA-N 2 1 228.380 1.277 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCC[NH2+]1 ZINC000422746349 409713828 /nfs/dbraw/zinc/71/38/28/409713828.db2.gz NTFXBYIMEHTSSF-OOCWMUITSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621829 409793650 /nfs/dbraw/zinc/79/36/50/409793650.db2.gz XAACXYSNUYEGHJ-QWRGUYRKSA-N 2 1 241.379 1.103 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709306 410339743 /nfs/dbraw/zinc/33/97/43/410339743.db2.gz QBXHTNCMBLMBCQ-STQMWFEESA-N 2 1 234.347 1.279 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000650712144 410342061 /nfs/dbraw/zinc/34/20/61/410342061.db2.gz SJDCVVJKDZBZGI-JSGCOSHPSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650712179 410342893 /nfs/dbraw/zinc/34/28/93/410342893.db2.gz UXDCQYXTYVBLDC-GXFFZTMASA-N 2 1 236.363 1.667 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650712179 410342897 /nfs/dbraw/zinc/34/28/97/410342897.db2.gz UXDCQYXTYVBLDC-GXFFZTMASA-N 2 1 236.363 1.667 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650712179 410342899 /nfs/dbraw/zinc/34/28/99/410342899.db2.gz UXDCQYXTYVBLDC-GXFFZTMASA-N 2 1 236.363 1.667 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650712179 410342902 /nfs/dbraw/zinc/34/29/02/410342902.db2.gz UXDCQYXTYVBLDC-GXFFZTMASA-N 2 1 236.363 1.667 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC2CC2)C1 ZINC000650723186 410359317 /nfs/dbraw/zinc/35/93/17/410359317.db2.gz IQYNYWOSIZAZIM-HZSPNIEDSA-N 2 1 238.375 1.757 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000650740402 410372638 /nfs/dbraw/zinc/37/26/38/410372638.db2.gz LYGSEUUCFMZAIO-KGLIPLIRSA-N 2 1 241.423 1.552 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000650747920 410386896 /nfs/dbraw/zinc/38/68/96/410386896.db2.gz KIKZPYNQMRIBLS-XBFCOCLRSA-N 2 1 245.370 1.753 20 0 BDADMP C[C@H]([NH2+][C@H]1CNc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000650747916 410387042 /nfs/dbraw/zinc/38/70/42/410387042.db2.gz KIKZPYNQMRIBLS-IACUBPJLSA-N 2 1 245.370 1.753 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000650756300 410403318 /nfs/dbraw/zinc/40/33/18/410403318.db2.gz YXKJWQCAYLSNFA-UONOGXRCSA-N 3 1 233.359 1.375 20 0 BDADMP CC[C@H](NCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000650762259 410412764 /nfs/dbraw/zinc/41/27/64/410412764.db2.gz YITXQNRKHZXXHO-KBPBESRZSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000301019655 410642461 /nfs/dbraw/zinc/64/24/61/410642461.db2.gz NHIMHXJAXVEVAK-WOPDTQHZSA-N 2 1 212.337 1.143 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000308791384 410746060 /nfs/dbraw/zinc/74/60/60/410746060.db2.gz BCXNMHWXTXBKLY-GFCCVEGCSA-N 2 1 216.369 1.419 20 0 BDADMP CCCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000308791384 410746065 /nfs/dbraw/zinc/74/60/65/410746065.db2.gz BCXNMHWXTXBKLY-GFCCVEGCSA-N 2 1 216.369 1.419 20 0 BDADMP CCCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000308791384 410746069 /nfs/dbraw/zinc/74/60/69/410746069.db2.gz BCXNMHWXTXBKLY-GFCCVEGCSA-N 2 1 216.369 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(CC)C1 ZINC000309276217 410701915 /nfs/dbraw/zinc/70/19/15/410701915.db2.gz SCNOLNNIWDFORI-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(CC)C1 ZINC000309276217 410701919 /nfs/dbraw/zinc/70/19/19/410701919.db2.gz SCNOLNNIWDFORI-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(CC)C1 ZINC000309276217 410701929 /nfs/dbraw/zinc/70/19/29/410701929.db2.gz SCNOLNNIWDFORI-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H](COCC1CC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665236587 410727076 /nfs/dbraw/zinc/72/70/76/410727076.db2.gz QAIIAMPTSHSFSM-XBFCOCLRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1nccn1C ZINC000665282707 410761203 /nfs/dbraw/zinc/76/12/03/410761203.db2.gz AARKCQTYGHYNLT-HBNTYKKESA-N 2 1 222.336 1.198 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000042589490 166822067 /nfs/dbraw/zinc/82/20/67/166822067.db2.gz ZKNMHTVIQHFACG-CHWSQXEVSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2C)CCO1 ZINC000394864324 410828891 /nfs/dbraw/zinc/82/88/91/410828891.db2.gz SHWJVGZJJSMFOZ-RFGFWPKPSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(COC)CC1 ZINC000665298634 410829617 /nfs/dbraw/zinc/82/96/17/410829617.db2.gz ZFXKHVIIZNYZDA-VOMCLLRMSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H](NC[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396458297 410881595 /nfs/dbraw/zinc/88/15/95/410881595.db2.gz OGYMXMUNIAEWDK-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](Cn1cccn1)C(C)C ZINC000665297649 410818540 /nfs/dbraw/zinc/81/85/40/410818540.db2.gz JEXMHYDCUUJJKD-NWDGAFQWSA-N 2 1 224.352 1.105 20 0 BDADMP CC(C)[NH2+]C1(CO)CC[NH+](C(C)C)CC1 ZINC000038115488 167094562 /nfs/dbraw/zinc/09/45/62/167094562.db2.gz ZCWDUOWAFMOFCC-UHFFFAOYSA-N 2 1 214.353 1.220 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CCC[C@H](C)O)CC1 ZINC000336650858 167095361 /nfs/dbraw/zinc/09/53/61/167095361.db2.gz HQXOOVSVVMCVEQ-LBPRGKRZSA-N 2 1 228.380 1.610 20 0 BDADMP CC(C)OCCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000336747412 167223760 /nfs/dbraw/zinc/22/37/60/167223760.db2.gz SAEPNVIXGGMOKO-LBPRGKRZSA-N 2 1 214.353 1.519 20 0 BDADMP CC(C)OCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123305515 167227789 /nfs/dbraw/zinc/22/77/89/167227789.db2.gz BOSUFESBIKJLFU-STQMWFEESA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123305515 167227796 /nfs/dbraw/zinc/22/77/96/167227796.db2.gz BOSUFESBIKJLFU-STQMWFEESA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123305515 167227804 /nfs/dbraw/zinc/22/78/04/167227804.db2.gz BOSUFESBIKJLFU-STQMWFEESA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123305515 167227807 /nfs/dbraw/zinc/22/78/07/167227807.db2.gz BOSUFESBIKJLFU-STQMWFEESA-N 2 1 228.380 1.826 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000398463828 410967255 /nfs/dbraw/zinc/96/72/55/410967255.db2.gz ZKNRWEGIUYZPFH-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000398463824 410967306 /nfs/dbraw/zinc/96/73/06/410967306.db2.gz ZKNRWEGIUYZPFH-IJLUTSLNSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398190925 410948008 /nfs/dbraw/zinc/94/80/08/410948008.db2.gz WWISZZUELIIBHU-BXUZGUMPSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398190925 410948016 /nfs/dbraw/zinc/94/80/16/410948016.db2.gz WWISZZUELIIBHU-BXUZGUMPSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000300016277 411076383 /nfs/dbraw/zinc/07/63/83/411076383.db2.gz MFQBZAQSIBGTQS-QWHCGFSZSA-N 2 1 236.363 1.022 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000400676888 411159018 /nfs/dbraw/zinc/15/90/18/411159018.db2.gz UZWHSHJJBILITO-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H](O)C[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000655948938 411161672 /nfs/dbraw/zinc/16/16/72/411161672.db2.gz INOPXPGNUPTHDH-LBPRGKRZSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000652151471 411161877 /nfs/dbraw/zinc/16/18/77/411161877.db2.gz UBURMMDOCYVZDW-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)CCO1 ZINC000300391427 411120583 /nfs/dbraw/zinc/12/05/83/411120583.db2.gz XNKPZHFVVMPKKH-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000652286171 411187530 /nfs/dbraw/zinc/18/75/30/411187530.db2.gz OQKHXMUZEDKJMZ-YRGRVCCFSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000652286171 411187531 /nfs/dbraw/zinc/18/75/31/411187531.db2.gz OQKHXMUZEDKJMZ-YRGRVCCFSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1nccn1CC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661700460 411191717 /nfs/dbraw/zinc/19/17/17/411191717.db2.gz MKOPOMWKQLGZAB-QWHCGFSZSA-N 2 1 235.331 1.160 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656200384 411204231 /nfs/dbraw/zinc/20/42/31/411204231.db2.gz LURBMTFQOXCYCW-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@@H](C)C1 ZINC000223540252 411208104 /nfs/dbraw/zinc/20/81/04/411208104.db2.gz AWDSUEGGDNNFMY-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H](O)C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000653902540 411217964 /nfs/dbraw/zinc/21/79/64/411217964.db2.gz VYKLAABVVIHJGR-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H](C)O)C1CC1 ZINC000653902468 411218758 /nfs/dbraw/zinc/21/87/58/411218758.db2.gz TZQYNKXSNAWCOP-JTQLQIEISA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C[C@H](C)O)C1CC1 ZINC000653902468 411218761 /nfs/dbraw/zinc/21/87/61/411218761.db2.gz TZQYNKXSNAWCOP-JTQLQIEISA-N 2 1 223.320 1.037 20 0 BDADMP COC1CC(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000658057878 411225915 /nfs/dbraw/zinc/22/59/15/411225915.db2.gz ZWUKZFRBWAVCSY-ZIHBUVQPSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422903572 411234452 /nfs/dbraw/zinc/23/44/52/411234452.db2.gz FRQDHOBUBHHWKU-QJPTWQEYSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050952665 411269610 /nfs/dbraw/zinc/26/96/10/411269610.db2.gz CNFNVQLWTQCVTA-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402606139 411272843 /nfs/dbraw/zinc/27/28/43/411272843.db2.gz ULYMXMXAHZFFPI-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000658164113 411277593 /nfs/dbraw/zinc/27/75/93/411277593.db2.gz VAXHNEUBCHNKDC-JOCQHMNTSA-N 2 1 226.364 1.628 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000051889996 411285205 /nfs/dbraw/zinc/28/52/05/411285205.db2.gz ZTBPMYHYQOTFEG-ZDUSSCGKSA-N 2 1 234.343 1.737 20 0 BDADMP COc1cccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000051890069 411285679 /nfs/dbraw/zinc/28/56/79/411285679.db2.gz CABARAVIMODVOI-CYBMUJFWSA-N 2 1 234.343 1.737 20 0 BDADMP CC[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655777420 411295825 /nfs/dbraw/zinc/29/58/25/411295825.db2.gz SIFMIBWSAQRNID-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000401719408 411299307 /nfs/dbraw/zinc/29/93/07/411299307.db2.gz INFAMZNVMVVBPV-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661764167 411308353 /nfs/dbraw/zinc/30/83/53/411308353.db2.gz AOMLAJRYSOJBCN-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CC2)CC[N@H+]1C ZINC000658252118 411314420 /nfs/dbraw/zinc/31/44/20/411314420.db2.gz YQAQSCLMYIKVPQ-MRVWCRGKSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H]1C[N@@H+](CCC[NH3+])[C@@H](CC)CO1 ZINC000403734698 411356507 /nfs/dbraw/zinc/35/65/07/411356507.db2.gz IIKMAPYMEVWNMT-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000130522992 411357604 /nfs/dbraw/zinc/35/76/04/411357604.db2.gz JKKPCTSJCNICJL-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783622 411361668 /nfs/dbraw/zinc/36/16/68/411361668.db2.gz RJTNOCWNBPUJHJ-VXGBXAGGSA-N 2 1 219.332 1.527 20 0 BDADMP c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)co1 ZINC000656785453 411364657 /nfs/dbraw/zinc/36/46/57/411364657.db2.gz HSSPHMLLAXFPNK-ZDUSSCGKSA-N 2 1 249.358 1.886 20 0 BDADMP CC1(C)COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000042463148 167972632 /nfs/dbraw/zinc/97/26/32/167972632.db2.gz XPUOTKFNIDDTSC-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CC1(C)COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000042463148 167972636 /nfs/dbraw/zinc/97/26/36/167972636.db2.gz XPUOTKFNIDDTSC-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000656788054 411367871 /nfs/dbraw/zinc/36/78/71/411367871.db2.gz NEOTYQUVIMYQBF-SDDRHHMPSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000656791589 411369960 /nfs/dbraw/zinc/36/99/60/411369960.db2.gz IGKBXIRIQBLFPI-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP c1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CCO2 ZINC000063012752 411333656 /nfs/dbraw/zinc/33/36/56/411333656.db2.gz YCJMOZBBZBVIRH-UHFFFAOYSA-N 2 1 246.354 1.881 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)CC[N@H+]1C ZINC000658330412 411338568 /nfs/dbraw/zinc/33/85/68/411338568.db2.gz JGPXGNFKBMKDHN-AGIUHOORSA-N 2 1 240.391 1.874 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659850430 411342277 /nfs/dbraw/zinc/34/22/77/411342277.db2.gz PMSINIXMUVPRIY-YOTBANQPSA-N 2 1 206.333 1.184 20 0 BDADMP CC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)COC1 ZINC000336689747 168026497 /nfs/dbraw/zinc/02/64/97/168026497.db2.gz HUXRKNRDEUDFDW-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+](C)C ZINC000340031828 168170818 /nfs/dbraw/zinc/17/08/18/168170818.db2.gz FQSPCDUCTPOBGY-LLVKDONJSA-N 2 1 226.368 1.193 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCF)[C@H]1CC[NH3+] ZINC000404305401 411389810 /nfs/dbraw/zinc/38/98/10/411389810.db2.gz RUMMUZWIUMSQLP-MNOVXSKESA-N 2 1 202.317 1.795 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000309433512 411383659 /nfs/dbraw/zinc/38/36/59/411383659.db2.gz MTDTULINGGQIEY-GXFFZTMASA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000309433512 411383661 /nfs/dbraw/zinc/38/36/61/411383661.db2.gz MTDTULINGGQIEY-GXFFZTMASA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CO1 ZINC000657305974 411456661 /nfs/dbraw/zinc/45/66/61/411456661.db2.gz WNUKFRYWAQZTLN-CHWSQXEVSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CO1 ZINC000657313683 411460436 /nfs/dbraw/zinc/46/04/36/411460436.db2.gz MPPYWACTQBQCJE-IGQOVBAYSA-N 2 1 238.375 1.770 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657315063 411461812 /nfs/dbraw/zinc/46/18/12/411461812.db2.gz HILBFHHUEUHXSX-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657315063 411461814 /nfs/dbraw/zinc/46/18/14/411461814.db2.gz HILBFHHUEUHXSX-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653562114 411421606 /nfs/dbraw/zinc/42/16/06/411421606.db2.gz DLKXEPCCEPBJKD-BETUJISGSA-N 2 1 235.331 1.216 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653562114 411421608 /nfs/dbraw/zinc/42/16/08/411421608.db2.gz DLKXEPCCEPBJKD-BETUJISGSA-N 2 1 235.331 1.216 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1C[NH3+] ZINC000405278004 411422937 /nfs/dbraw/zinc/42/29/37/411422937.db2.gz ZDUYVGNJVPPUAE-TZMCWYRMSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1C[NH3+] ZINC000405278004 411422940 /nfs/dbraw/zinc/42/29/40/411422940.db2.gz ZDUYVGNJVPPUAE-TZMCWYRMSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2ccc(C)nc2)C[C@H]1C[NH3+] ZINC000405276379 411423288 /nfs/dbraw/zinc/42/32/88/411423288.db2.gz YAOHZLCTMMFPTI-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C)nc2)C[C@H]1C[NH3+] ZINC000405276379 411423291 /nfs/dbraw/zinc/42/32/91/411423291.db2.gz YAOHZLCTMMFPTI-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C[NH3+] ZINC000405385905 411427722 /nfs/dbraw/zinc/42/77/22/411427722.db2.gz PLWADGUGYREYTF-IJLUTSLNSA-N 2 1 214.353 1.328 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)CO1 ZINC000657317402 411462796 /nfs/dbraw/zinc/46/27/96/411462796.db2.gz AOWAPYXYBRVGFI-OLZOCXBDSA-N 2 1 237.347 1.739 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C[NH3+] ZINC000405449876 411429143 /nfs/dbraw/zinc/42/91/43/411429143.db2.gz NTKYUFSNYJUXAK-HUUCEWRRSA-N 2 1 248.370 1.791 20 0 BDADMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1ccccc1 ZINC000123288618 411440586 /nfs/dbraw/zinc/44/05/86/411440586.db2.gz QMSVAEKJBHAHQB-UHFFFAOYSA-N 2 1 235.331 1.296 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655738919 411444187 /nfs/dbraw/zinc/44/41/87/411444187.db2.gz QKVKOAFBHABZKZ-CYBMUJFWSA-N 2 1 246.358 1.570 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655738919 411444191 /nfs/dbraw/zinc/44/41/91/411444191.db2.gz QKVKOAFBHABZKZ-CYBMUJFWSA-N 2 1 246.358 1.570 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc2c1NCC2 ZINC000414792023 411445877 /nfs/dbraw/zinc/44/58/77/411445877.db2.gz IHFHAJSOCUUTLQ-ZDUSSCGKSA-N 2 1 233.359 1.728 20 0 BDADMP COCc1csc(C[NH2+]CCC[NH+](C)C)c1 ZINC000657287730 411447293 /nfs/dbraw/zinc/44/72/93/411447293.db2.gz UGPNZQPDDVWGPO-UHFFFAOYSA-N 2 1 242.388 1.936 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000414831366 411449739 /nfs/dbraw/zinc/44/97/39/411449739.db2.gz DASJJSRFSNPBJW-JTQLQIEISA-N 2 1 238.379 1.652 20 0 BDADMP C[C@@H](NCc1cnc2n1CCC2)c1cnn(C)c1 ZINC000657373756 411482549 /nfs/dbraw/zinc/48/25/49/411482549.db2.gz BAVKDULXJBHXJZ-SNVBAGLBSA-N 2 1 245.330 1.414 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415011685 411488105 /nfs/dbraw/zinc/48/81/05/411488105.db2.gz HUZMQFIRQDZCED-NWDGAFQWSA-N 2 1 215.385 1.467 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659925512 411500956 /nfs/dbraw/zinc/50/09/56/411500956.db2.gz JPDRSVHKPHLVSG-WDEREUQCSA-N 2 1 248.317 1.294 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659925512 411500958 /nfs/dbraw/zinc/50/09/58/411500958.db2.gz JPDRSVHKPHLVSG-WDEREUQCSA-N 2 1 248.317 1.294 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CCC1 ZINC000659939481 411504256 /nfs/dbraw/zinc/50/42/56/411504256.db2.gz HQIRXKKEQPZIKM-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000659939481 411504258 /nfs/dbraw/zinc/50/42/58/411504258.db2.gz HQIRXKKEQPZIKM-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000659939481 411504259 /nfs/dbraw/zinc/50/42/59/411504259.db2.gz HQIRXKKEQPZIKM-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CC2)[C@@H](C)C1 ZINC000655817260 411528274 /nfs/dbraw/zinc/52/82/74/411528274.db2.gz JYKIUYJNFXEBRB-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(C)ccc2O)C1 ZINC000103342890 170007198 /nfs/dbraw/zinc/00/71/98/170007198.db2.gz BGMJTRZABXFNDO-LBPRGKRZSA-N 2 1 249.358 1.527 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc(C)ccc2O)C1 ZINC000103342890 170007200 /nfs/dbraw/zinc/00/72/00/170007200.db2.gz BGMJTRZABXFNDO-LBPRGKRZSA-N 2 1 249.358 1.527 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC)C[C@@H]1C ZINC000336643136 170008862 /nfs/dbraw/zinc/00/88/62/170008862.db2.gz BPPLEZYZHOLHCR-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC)C[C@@H]1C ZINC000336643136 170008864 /nfs/dbraw/zinc/00/88/64/170008864.db2.gz BPPLEZYZHOLHCR-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH3+])C[C@@H]1C ZINC000309786298 170010214 /nfs/dbraw/zinc/01/02/14/170010214.db2.gz ODXBFKNCVVQDMC-NWDGAFQWSA-N 2 1 213.369 1.140 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000360412252 170016136 /nfs/dbraw/zinc/01/61/36/170016136.db2.gz GAANYNLLNBBEQI-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000353910404 170016582 /nfs/dbraw/zinc/01/65/82/170016582.db2.gz DLNCTJLCDZCIND-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cn2cccn2)C1 ZINC000122132616 170017125 /nfs/dbraw/zinc/01/71/25/170017125.db2.gz HRYYWSYVGIIJLZ-QWHCGFSZSA-N 2 1 236.363 1.203 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367596086 170017259 /nfs/dbraw/zinc/01/72/59/170017259.db2.gz DBDLQSPWQDWUHS-DGCLKSJQSA-N 2 1 248.374 1.719 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000309186120 170017317 /nfs/dbraw/zinc/01/73/17/170017317.db2.gz BHZDAIMCYRTYIR-CHWSQXEVSA-N 3 1 227.396 1.435 20 0 BDADMP CCN1CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000309186120 170017318 /nfs/dbraw/zinc/01/73/18/170017318.db2.gz BHZDAIMCYRTYIR-CHWSQXEVSA-N 2 1 227.396 1.435 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC)C[C@@H]1C ZINC000336643137 170019255 /nfs/dbraw/zinc/01/92/55/170019255.db2.gz BPPLEZYZHOLHCR-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC)C[C@@H]1C ZINC000336643137 170019257 /nfs/dbraw/zinc/01/92/57/170019257.db2.gz BPPLEZYZHOLHCR-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC)C[C@@H]1C ZINC000336643137 170019258 /nfs/dbraw/zinc/01/92/58/170019258.db2.gz BPPLEZYZHOLHCR-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCO2)C[C@H]1C ZINC000336682232 170019290 /nfs/dbraw/zinc/01/92/90/170019290.db2.gz DAQXADRQWFUXPO-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCO2)C[C@H]1C ZINC000336682232 170019292 /nfs/dbraw/zinc/01/92/92/170019292.db2.gz DAQXADRQWFUXPO-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCO2)C[C@H]1C ZINC000336682232 170019294 /nfs/dbraw/zinc/01/92/94/170019294.db2.gz DAQXADRQWFUXPO-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H](C)O)C[C@@H]1C ZINC000336721336 170019384 /nfs/dbraw/zinc/01/93/84/170019384.db2.gz SODCCDZGGYBWSU-IHRRRGAJSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@H](C)O)C[C@@H]1C ZINC000336721336 170019386 /nfs/dbraw/zinc/01/93/86/170019386.db2.gz SODCCDZGGYBWSU-IHRRRGAJSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@H](C)O)C[C@@H]1C ZINC000336721336 170019387 /nfs/dbraw/zinc/01/93/87/170019387.db2.gz SODCCDZGGYBWSU-IHRRRGAJSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)[C@H](C)C1 ZINC000305091763 170021164 /nfs/dbraw/zinc/02/11/64/170021164.db2.gz XXCKJDQECAIBHG-RYSNWHEDSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(C)C)[C@H](C)C1 ZINC000305099270 170021376 /nfs/dbraw/zinc/02/13/76/170021376.db2.gz AJKVUIMFBRTDHP-RDBSUJKOSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)[C@H](C)C1 ZINC000268988987 170021581 /nfs/dbraw/zinc/02/15/81/170021581.db2.gz FSDOJYBFMIGVKM-HIFRSBDPSA-N 2 1 247.386 1.944 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](C)O)[C@H](C)C1 ZINC000336777294 170022076 /nfs/dbraw/zinc/02/20/76/170022076.db2.gz IAASXGZKKZLXKH-NDBYEHHHSA-N 2 1 228.380 1.466 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000355334732 170036149 /nfs/dbraw/zinc/03/61/49/170036149.db2.gz SMCQOMYAUNVBJX-MJBXVCDLSA-N 2 1 241.423 1.647 20 0 BDADMP CCOC(=O)C[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094042599 170217237 /nfs/dbraw/zinc/21/72/37/170217237.db2.gz ZKBQGICRBYHZHG-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000660253650 411559984 /nfs/dbraw/zinc/55/99/84/411559984.db2.gz KPYQKXLTQARMNH-LBPRGKRZSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2ccoc2)CC1 ZINC000657652493 411569894 /nfs/dbraw/zinc/56/98/94/411569894.db2.gz NUGHYIGWDPCVAI-UHFFFAOYSA-N 2 1 208.305 1.506 20 0 BDADMP CCOCC[N@@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000121115876 170395008 /nfs/dbraw/zinc/39/50/08/170395008.db2.gz RKWQJWBPEFJREY-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[NH+](CC)CC[C@@H]1CCC[N@@H+]1C ZINC000121115876 170395009 /nfs/dbraw/zinc/39/50/09/170395009.db2.gz RKWQJWBPEFJREY-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[NH+](CC)CC[C@@H]1CCC[N@H+]1C ZINC000121115876 170395010 /nfs/dbraw/zinc/39/50/10/170395010.db2.gz RKWQJWBPEFJREY-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C1=CCC(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000660419699 411582755 /nfs/dbraw/zinc/58/27/55/411582755.db2.gz KWPCGDFKELVHRW-UHFFFAOYSA-N 2 1 232.331 1.498 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000314077719 411586810 /nfs/dbraw/zinc/58/68/10/411586810.db2.gz CYYBYVIUJXOKIE-RYUDHWBXSA-N 2 1 237.347 1.102 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCF)C2 ZINC000660654919 411613351 /nfs/dbraw/zinc/61/33/51/411613351.db2.gz DBKNGYFIZAZCLQ-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCF)C2 ZINC000660654919 411613352 /nfs/dbraw/zinc/61/33/52/411613352.db2.gz DBKNGYFIZAZCLQ-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCF)C2 ZINC000660654919 411613354 /nfs/dbraw/zinc/61/33/54/411613354.db2.gz DBKNGYFIZAZCLQ-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)O)C2 ZINC000660661007 411615298 /nfs/dbraw/zinc/61/52/98/411615298.db2.gz YNBXKNQRWDZPKR-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)O)C2 ZINC000660661007 411615300 /nfs/dbraw/zinc/61/53/00/411615300.db2.gz YNBXKNQRWDZPKR-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)O)C2 ZINC000660661007 411615302 /nfs/dbraw/zinc/61/53/02/411615302.db2.gz YNBXKNQRWDZPKR-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086727096 487536271 /nfs/dbraw/zinc/53/62/71/487536271.db2.gz KQKWEYPATTXOFE-VHSXEESVSA-N 2 1 210.346 1.631 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000663509841 411691706 /nfs/dbraw/zinc/69/17/06/411691706.db2.gz AVCNGFLQIIGLSB-GFCCVEGCSA-N 2 1 248.370 1.752 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C(C)(C)CC ZINC000661231737 411738093 /nfs/dbraw/zinc/73/80/93/411738093.db2.gz PZHGLRVBOIBNJD-NWDGAFQWSA-N 2 1 230.396 1.713 20 0 BDADMP Cc1cc(N(C)CC2C[NH+](C)C2)nc(C)[nH+]1 ZINC000664331055 411922357 /nfs/dbraw/zinc/92/23/57/411922357.db2.gz OAXWQMCESAXHCA-UHFFFAOYSA-N 2 1 220.320 1.091 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661966652 411922395 /nfs/dbraw/zinc/92/23/95/411922395.db2.gz LAJBOZMZAKYDPG-AVGNSLFASA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661966652 411922399 /nfs/dbraw/zinc/92/23/99/411922399.db2.gz LAJBOZMZAKYDPG-AVGNSLFASA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966652 411922403 /nfs/dbraw/zinc/92/24/03/411922403.db2.gz LAJBOZMZAKYDPG-AVGNSLFASA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966652 411922407 /nfs/dbraw/zinc/92/24/07/411922407.db2.gz LAJBOZMZAKYDPG-AVGNSLFASA-N 2 1 226.364 1.029 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662235774 412033594 /nfs/dbraw/zinc/03/35/94/412033594.db2.gz SNCYKTGVRYRADU-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662235774 412033598 /nfs/dbraw/zinc/03/35/98/412033598.db2.gz SNCYKTGVRYRADU-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H](CC(F)F)C[N@@H+]1CCC[NH2+]CC1 ZINC000662241856 412037274 /nfs/dbraw/zinc/03/72/74/412037274.db2.gz XVGXEQNGVJBSQS-JTQLQIEISA-N 2 1 220.307 1.963 20 0 BDADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[NH2+]CC1 ZINC000662241856 412037275 /nfs/dbraw/zinc/03/72/75/412037275.db2.gz XVGXEQNGVJBSQS-JTQLQIEISA-N 2 1 220.307 1.963 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C1CCCC1 ZINC000662244926 412041988 /nfs/dbraw/zinc/04/19/88/412041988.db2.gz PQKDDNWQQSLRBX-FPMFFAJLSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+](CCO[C@@H]1CC1(F)F)CC(C)(C)C[NH3+] ZINC000662248265 412046884 /nfs/dbraw/zinc/04/68/84/412046884.db2.gz XNRPPQINDKVMJA-SECBINFHSA-N 2 1 236.306 1.327 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253475 412048875 /nfs/dbraw/zinc/04/88/75/412048875.db2.gz WGZCHNKODHACDB-QWRGUYRKSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254665 412049454 /nfs/dbraw/zinc/04/94/54/412049454.db2.gz SCQYDFNTPGUGDV-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256601 412050771 /nfs/dbraw/zinc/05/07/71/412050771.db2.gz WSXCCYYUKDPVSW-UPJWGTAASA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662264248 412055562 /nfs/dbraw/zinc/05/55/62/412055562.db2.gz HADRUDYXUPLSLZ-NAWOPXAZSA-N 2 1 208.349 1.702 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310485279 171038650 /nfs/dbraw/zinc/03/86/50/171038650.db2.gz GAQLLHOYDLSLMA-BZPMIXESSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310485279 171038652 /nfs/dbraw/zinc/03/86/52/171038652.db2.gz GAQLLHOYDLSLMA-BZPMIXESSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310485279 171038653 /nfs/dbraw/zinc/03/86/53/171038653.db2.gz GAQLLHOYDLSLMA-BZPMIXESSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310485279 171038654 /nfs/dbraw/zinc/03/86/54/171038654.db2.gz GAQLLHOYDLSLMA-BZPMIXESSA-N 2 1 240.391 1.704 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ncn1 ZINC000662272252 412062378 /nfs/dbraw/zinc/06/23/78/412062378.db2.gz CZRVYHGBHPKHPR-BETUJISGSA-N 2 1 246.358 1.216 20 0 BDADMP Cc1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)co1 ZINC000662274293 412064593 /nfs/dbraw/zinc/06/45/93/412064593.db2.gz ULMZQCBPFBSQQD-CYBMUJFWSA-N 2 1 249.358 1.805 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274253 412064810 /nfs/dbraw/zinc/06/48/10/412064810.db2.gz SJONQBIKAPVXBY-CHWSQXEVSA-N 2 1 249.358 1.805 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662279834 412070827 /nfs/dbraw/zinc/07/08/27/412070827.db2.gz MEYDOFZTHBUCHI-JHJVBQTASA-N 2 1 238.375 1.770 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])OC ZINC000662285310 412076821 /nfs/dbraw/zinc/07/68/21/412076821.db2.gz JJFNYFSUVPYCRL-AGIUHOORSA-N 2 1 244.379 1.097 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000662285507 412076974 /nfs/dbraw/zinc/07/69/74/412076974.db2.gz KRQJDIQJWJHVEI-GWCFXTLKSA-N 2 1 237.347 1.932 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662283744 412074859 /nfs/dbraw/zinc/07/48/59/412074859.db2.gz KCLLDCBIZWJTIY-KXUCPTDWSA-N 2 1 234.290 1.222 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000662283744 412074862 /nfs/dbraw/zinc/07/48/62/412074862.db2.gz KCLLDCBIZWJTIY-KXUCPTDWSA-N 2 1 234.290 1.222 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662284426 412075844 /nfs/dbraw/zinc/07/58/44/412075844.db2.gz YEZMXBURYLWZCL-GHMZBOCLSA-N 2 1 237.347 1.654 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662284426 412075849 /nfs/dbraw/zinc/07/58/49/412075849.db2.gz YEZMXBURYLWZCL-GHMZBOCLSA-N 2 1 237.347 1.654 20 0 BDADMP CC[C@H](C)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304631523 171283348 /nfs/dbraw/zinc/28/33/48/171283348.db2.gz VNLNKVRYLZYWCN-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000662297127 412083604 /nfs/dbraw/zinc/08/36/04/412083604.db2.gz BCGKOIWXOIHHKW-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000336732934 171308674 /nfs/dbraw/zinc/30/86/74/171308674.db2.gz JSNVWNHWHNHHKQ-AGIUHOORSA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000336732934 171308675 /nfs/dbraw/zinc/30/86/75/171308675.db2.gz JSNVWNHWHNHHKQ-AGIUHOORSA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000336732934 171308677 /nfs/dbraw/zinc/30/86/77/171308677.db2.gz JSNVWNHWHNHHKQ-AGIUHOORSA-N 2 1 227.396 1.256 20 0 BDADMP CCO[C@@H]1C[N@@H+](CC2CC=CC2)C[C@H]1C[NH3+] ZINC000662286130 412078363 /nfs/dbraw/zinc/07/83/63/412078363.db2.gz ONILOOKWLSYWCO-CHWSQXEVSA-N 2 1 224.348 1.248 20 0 BDADMP c1ccc(O[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000662316141 412095588 /nfs/dbraw/zinc/09/55/88/412095588.db2.gz IWMMCSJADQHLDN-DZGCQCFKSA-N 2 1 246.354 1.749 20 0 BDADMP C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000662317419 412098624 /nfs/dbraw/zinc/09/86/24/412098624.db2.gz OVJQMGNGAFCAOC-KGLIPLIRSA-N 2 1 238.375 1.344 20 0 BDADMP C[NH2+]CCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662328217 412104642 /nfs/dbraw/zinc/10/46/42/412104642.db2.gz ZNCHTGALNKAHHN-OKILXGFUSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@@]1(C(F)F)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000662336489 412107270 /nfs/dbraw/zinc/10/72/70/412107270.db2.gz YBTBAVBPECEQPT-JQWIXIFHSA-N 2 1 248.317 1.342 20 0 BDADMP CC(C)O[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000665241881 412184037 /nfs/dbraw/zinc/18/40/37/412184037.db2.gz CFCRBJLKYDZIIQ-SRVKXCTJSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)F ZINC000665261866 412204275 /nfs/dbraw/zinc/20/42/75/412204275.db2.gz NIAIRDXRIKXLNK-ZJUUUORDSA-N 2 1 202.317 1.712 20 0 BDADMP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665267529 412210433 /nfs/dbraw/zinc/21/04/33/412210433.db2.gz YHCSJAFZUZNDNX-GUBZILKMSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@]1(C)CC1(F)F ZINC000665267246 412210763 /nfs/dbraw/zinc/21/07/63/412210763.db2.gz SNIHKVUHVCWSGP-VWYCJHECSA-N 2 1 248.317 1.388 20 0 BDADMP Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000665232473 412170179 /nfs/dbraw/zinc/17/01/79/412170179.db2.gz NOISSLRWLYRPEE-NWDGAFQWSA-N 2 1 205.305 1.238 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccn1 ZINC000665232966 412172167 /nfs/dbraw/zinc/17/21/67/412172167.db2.gz YMRORLCSBNAQIU-BZPMIXESSA-N 2 1 233.359 1.773 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665274246 412216712 /nfs/dbraw/zinc/21/67/12/412216712.db2.gz MGQZTSFFPDPSFV-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665274246 412216714 /nfs/dbraw/zinc/21/67/14/412216714.db2.gz MGQZTSFFPDPSFV-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP CCc1nocc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000339286271 172101829 /nfs/dbraw/zinc/10/18/29/172101829.db2.gz XQPQSBOPFBIVOK-CMPLNLGQSA-N 2 1 237.347 1.809 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000234207241 172165035 /nfs/dbraw/zinc/16/50/35/172165035.db2.gz CNXUFTMXRTZCAP-GFCCVEGCSA-N 2 1 222.336 1.074 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000234207241 172165036 /nfs/dbraw/zinc/16/50/36/172165036.db2.gz CNXUFTMXRTZCAP-GFCCVEGCSA-N 2 1 222.336 1.074 20 0 BDADMP C[NH+](C)[C@@H](C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000336751895 172521084 /nfs/dbraw/zinc/52/10/84/172521084.db2.gz FRTALALBPZDMOE-JQWIXIFHSA-N 2 1 228.405 1.669 20 0 BDADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335396970 487625294 /nfs/dbraw/zinc/62/52/94/487625294.db2.gz CKQTVBHPYAYITA-JQWIXIFHSA-N 2 1 225.336 1.376 20 0 BDADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335396970 487625298 /nfs/dbraw/zinc/62/52/98/487625298.db2.gz CKQTVBHPYAYITA-JQWIXIFHSA-N 2 1 225.336 1.376 20 0 BDADMP C[NH+]1CCC(CC[NH2+]Cc2csnn2)CC1 ZINC000122476704 172984241 /nfs/dbraw/zinc/98/42/41/172984241.db2.gz XCDOMNMMJANIDG-UHFFFAOYSA-N 2 1 240.376 1.360 20 0 BDADMP C[NH+]1CCC([NH2+]CCCOCC2CC2)CC1 ZINC000020190325 172996353 /nfs/dbraw/zinc/99/63/53/172996353.db2.gz ZZFHHQJVMTWLPD-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccon3)C2)CC1 ZINC000374074953 173002842 /nfs/dbraw/zinc/00/28/42/173002842.db2.gz ORLQWNQOWSZYGI-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cncs2)CC1 ZINC000076674571 173021168 /nfs/dbraw/zinc/02/11/68/173021168.db2.gz HGSORMXJEXEQQP-SNVBAGLBSA-N 2 1 225.361 1.717 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cncs2)CC1 ZINC000076674571 173021171 /nfs/dbraw/zinc/02/11/71/173021171.db2.gz HGSORMXJEXEQQP-SNVBAGLBSA-N 2 1 225.361 1.717 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000336712393 173036104 /nfs/dbraw/zinc/03/61/04/173036104.db2.gz RWSBANOOBFVENB-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000336712393 173036107 /nfs/dbraw/zinc/03/61/07/173036107.db2.gz RWSBANOOBFVENB-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000336712393 173036109 /nfs/dbraw/zinc/03/61/09/173036109.db2.gz RWSBANOOBFVENB-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CN1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000054243463 173042098 /nfs/dbraw/zinc/04/20/98/173042098.db2.gz PEZXABHZEQGMEF-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+]1CCC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000054243463 173042101 /nfs/dbraw/zinc/04/21/01/173042101.db2.gz PEZXABHZEQGMEF-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+]1CCC[C@@H](NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000054243463 173042105 /nfs/dbraw/zinc/04/21/05/173042105.db2.gz PEZXABHZEQGMEF-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[N@H+](C)C2)C1 ZINC000054243463 173042108 /nfs/dbraw/zinc/04/21/08/173042108.db2.gz PEZXABHZEQGMEF-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000054243463 173042110 /nfs/dbraw/zinc/04/21/10/173042110.db2.gz PEZXABHZEQGMEF-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCCO)C1CC1 ZINC000305717269 173049572 /nfs/dbraw/zinc/04/95/72/173049572.db2.gz HZWQTOQGDCFKND-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCCO)C1CC1 ZINC000305717269 173049574 /nfs/dbraw/zinc/04/95/74/173049574.db2.gz HZWQTOQGDCFKND-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCCO)C1CC1 ZINC000305717269 173049576 /nfs/dbraw/zinc/04/95/76/173049576.db2.gz HZWQTOQGDCFKND-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](CO)C(C)(C)C ZINC000305704666 173050617 /nfs/dbraw/zinc/05/06/17/173050617.db2.gz XQIIPCANZNQTKP-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](CO)C(C)(C)C ZINC000305704666 173050620 /nfs/dbraw/zinc/05/06/20/173050620.db2.gz XQIIPCANZNQTKP-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](CO)C(C)(C)C ZINC000305704666 173050622 /nfs/dbraw/zinc/05/06/22/173050622.db2.gz XQIIPCANZNQTKP-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CO)C1 ZINC000305635257 173051412 /nfs/dbraw/zinc/05/14/12/173051412.db2.gz GVXPOWVMAYHYKU-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000305635257 173051415 /nfs/dbraw/zinc/05/14/15/173051415.db2.gz GVXPOWVMAYHYKU-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CO)C1 ZINC000305635257 173051418 /nfs/dbraw/zinc/05/14/18/173051418.db2.gz GVXPOWVMAYHYKU-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+](CC(N)=O)C(C)(C)C ZINC000125662753 173051860 /nfs/dbraw/zinc/05/18/60/173051860.db2.gz SNHDPWYNIKEPPG-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+](CC(N)=O)C(C)(C)C ZINC000125662753 173051863 /nfs/dbraw/zinc/05/18/63/173051863.db2.gz SNHDPWYNIKEPPG-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+](CC(N)=O)C(C)(C)C ZINC000125662753 173051865 /nfs/dbraw/zinc/05/18/65/173051865.db2.gz SNHDPWYNIKEPPG-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+](CC(N)=O)C(C)(C)C ZINC000125662753 173051868 /nfs/dbraw/zinc/05/18/68/173051868.db2.gz SNHDPWYNIKEPPG-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(CO)CCCC1 ZINC000309599331 173053737 /nfs/dbraw/zinc/05/37/37/173053737.db2.gz XFCSXOLUHVDJKP-LBPRGKRZSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)O)CC[C@H]21 ZINC000227342838 173059879 /nfs/dbraw/zinc/05/98/79/173059879.db2.gz MIVWTGCJAXXQQG-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(C)O)CC[C@H]21 ZINC000227342838 173059881 /nfs/dbraw/zinc/05/98/81/173059881.db2.gz MIVWTGCJAXXQQG-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(C)O)CC[C@H]21 ZINC000227342838 173059883 /nfs/dbraw/zinc/05/98/83/173059883.db2.gz MIVWTGCJAXXQQG-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293652105 173062725 /nfs/dbraw/zinc/06/27/25/173062725.db2.gz NBJJISYATNMDPH-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293652105 173062727 /nfs/dbraw/zinc/06/27/27/173062727.db2.gz NBJJISYATNMDPH-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293652105 173062731 /nfs/dbraw/zinc/06/27/31/173062731.db2.gz NBJJISYATNMDPH-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293652105 173062734 /nfs/dbraw/zinc/06/27/34/173062734.db2.gz NBJJISYATNMDPH-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP C[N@H+]1CCN(CC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000040925755 173079482 /nfs/dbraw/zinc/07/94/82/173079482.db2.gz YAWRDKUULPJXES-CQSZACIVSA-N 2 1 247.386 1.712 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCSC3)[C@H]2C1 ZINC000366032282 173134718 /nfs/dbraw/zinc/13/47/18/173134718.db2.gz VUIJXBVQTWYCDE-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCSC3)[C@H]2C1 ZINC000366032282 173134719 /nfs/dbraw/zinc/13/47/19/173134719.db2.gz VUIJXBVQTWYCDE-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CCSC3)[C@H]2C1 ZINC000366032282 173134722 /nfs/dbraw/zinc/13/47/22/173134722.db2.gz VUIJXBVQTWYCDE-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CCSC3)[C@H]2C1 ZINC000366032282 173134724 /nfs/dbraw/zinc/13/47/24/173134724.db2.gz VUIJXBVQTWYCDE-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@H]2CCC[C@@H]21 ZINC000353640282 173152215 /nfs/dbraw/zinc/15/22/15/173152215.db2.gz BYDQQCAFTLHADS-RDBSUJKOSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2CC2)[C@@H]2CCC[C@H]21 ZINC000367639971 173152932 /nfs/dbraw/zinc/15/29/32/173152932.db2.gz YFPQLUIAEHNQTI-RWMBFGLXSA-N 2 1 208.349 1.859 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@H]2CCC[C@@H]21 ZINC000367884929 173155349 /nfs/dbraw/zinc/15/53/49/173155349.db2.gz IXZCQJASWFEMET-CRWXNKLISA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCC2CCCCC2)C1 ZINC000361594262 173164003 /nfs/dbraw/zinc/16/40/03/173164003.db2.gz MLXARIHXPDWFLM-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]CCC2CCCCC2)C1 ZINC000361594262 173164006 /nfs/dbraw/zinc/16/40/06/173164006.db2.gz MLXARIHXPDWFLM-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CCCCC2)C1 ZINC000336759830 173164410 /nfs/dbraw/zinc/16/44/10/173164410.db2.gz JEZCEWJRBONGLP-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CCCCC2)C1 ZINC000336759830 173164412 /nfs/dbraw/zinc/16/44/12/173164412.db2.gz JEZCEWJRBONGLP-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000358258971 173165044 /nfs/dbraw/zinc/16/50/44/173165044.db2.gz TXYAKFLCRURDRE-RDBSUJKOSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000358258971 173165045 /nfs/dbraw/zinc/16/50/45/173165045.db2.gz TXYAKFLCRURDRE-RDBSUJKOSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)C(C)(C)C)C2)C1 ZINC000335569837 173166327 /nfs/dbraw/zinc/16/63/27/173166327.db2.gz IOHFXJDGNWSXFE-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)C(C)(C)C)C2)C1 ZINC000335569837 173166329 /nfs/dbraw/zinc/16/63/29/173166329.db2.gz IOHFXJDGNWSXFE-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)C(C)(C)C)C2)C1 ZINC000335569837 173166331 /nfs/dbraw/zinc/16/63/31/173166331.db2.gz IOHFXJDGNWSXFE-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292866984 173168261 /nfs/dbraw/zinc/16/82/61/173168261.db2.gz VXJWUKPGCIQINF-AWEZNQCLSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292866984 173168262 /nfs/dbraw/zinc/16/82/62/173168262.db2.gz VXJWUKPGCIQINF-AWEZNQCLSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292866984 173168264 /nfs/dbraw/zinc/16/82/64/173168264.db2.gz VXJWUKPGCIQINF-AWEZNQCLSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292866984 173168265 /nfs/dbraw/zinc/16/82/65/173168265.db2.gz VXJWUKPGCIQINF-AWEZNQCLSA-N 2 1 233.359 1.553 20 0 BDADMP C[NH2+]C1CC[NH+](CCc2cccnc2)CC1 ZINC000037718534 173322759 /nfs/dbraw/zinc/32/27/59/173322759.db2.gz XWRYSFSZDIRFKD-UHFFFAOYSA-N 2 1 219.332 1.308 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)nc2)C1 ZINC000062053796 173381630 /nfs/dbraw/zinc/38/16/30/173381630.db2.gz MXESFEDREBLHKP-CYBMUJFWSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000062053796 173381631 /nfs/dbraw/zinc/38/16/31/173381631.db2.gz MXESFEDREBLHKP-CYBMUJFWSA-N 2 1 219.332 1.431 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000336719739 174073942 /nfs/dbraw/zinc/07/39/42/174073942.db2.gz RTSBSDZZCCGTIG-RWMBFGLXSA-N 2 1 242.407 1.977 20 0 BDADMP COCC1(CC[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000339454470 174093828 /nfs/dbraw/zinc/09/38/28/174093828.db2.gz ZQCSZGSBUCJREL-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000336724594 174105247 /nfs/dbraw/zinc/10/52/47/174105247.db2.gz UQMYYHYCEIGENW-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000356363524 174111461 /nfs/dbraw/zinc/11/14/61/174111461.db2.gz QXVNFGQFXADHDQ-OLZOCXBDSA-N 2 1 238.375 1.772 20 0 BDADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000355033979 174143897 /nfs/dbraw/zinc/14/38/97/174143897.db2.gz FRWLXDUEGKHVHW-CHWSQXEVSA-N 2 1 242.407 1.979 20 0 BDADMP COCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000234684927 174143961 /nfs/dbraw/zinc/14/39/61/174143961.db2.gz YUFWWKCSLIAOHA-SNVBAGLBSA-N 2 1 200.326 1.001 20 0 BDADMP COCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567044 174177724 /nfs/dbraw/zinc/17/77/24/174177724.db2.gz CFOIPCVBCHVDLM-CYBMUJFWSA-N 2 1 226.364 1.489 20 0 BDADMP COCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000044659200 174195090 /nfs/dbraw/zinc/19/50/90/174195090.db2.gz VICKWRAWTYSDCB-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP COCCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000082666895 174220196 /nfs/dbraw/zinc/22/01/96/174220196.db2.gz CXRMSEUIIWKVGU-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP COCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000363560189 174233955 /nfs/dbraw/zinc/23/39/55/174233955.db2.gz LSNQCIKTIXWOQA-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP COCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000120408482 174279291 /nfs/dbraw/zinc/27/92/91/174279291.db2.gz POGUOBXHIKSBHZ-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP COCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000120408482 174279293 /nfs/dbraw/zinc/27/92/93/174279293.db2.gz POGUOBXHIKSBHZ-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP COCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000120408482 174279294 /nfs/dbraw/zinc/27/92/94/174279294.db2.gz POGUOBXHIKSBHZ-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP COCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000120408482 174279296 /nfs/dbraw/zinc/27/92/96/174279296.db2.gz POGUOBXHIKSBHZ-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911786 174297113 /nfs/dbraw/zinc/29/71/13/174297113.db2.gz CWWHFTPMGSUPLU-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000401641495 487629057 /nfs/dbraw/zinc/62/90/57/487629057.db2.gz HYXIGUYALPHDHE-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000401641494 487629017 /nfs/dbraw/zinc/62/90/17/487629017.db2.gz HYXIGUYALPHDHE-SRVKXCTJSA-N 2 1 212.337 1.143 20 0 BDADMP COc1ccc(C)cc1C[NH+]1CCC([NH3+])CC1 ZINC000036754469 175074378 /nfs/dbraw/zinc/07/43/78/175074378.db2.gz UFYXKJDOMYMRJG-UHFFFAOYSA-N 2 1 234.343 1.927 20 0 BDADMP COc1ccc(CC[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000036300492 175089546 /nfs/dbraw/zinc/08/95/46/175089546.db2.gz SCHHPTXYIQLCDN-UHFFFAOYSA-N 2 1 248.370 1.922 20 0 BDADMP COc1ccc([C@H](C)[NH2+]CCC[NH3+])c(F)c1 ZINC000037713769 175188424 /nfs/dbraw/zinc/18/84/24/175188424.db2.gz MOEQXRXXWPJSBP-VIFPVBQESA-N 2 1 226.295 1.834 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126888773 175328182 /nfs/dbraw/zinc/32/81/82/175328182.db2.gz GEJBXUYNUIHZTO-NEPJUHHUSA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+]CC[NH3+] ZINC000037712944 175332505 /nfs/dbraw/zinc/33/25/05/175332505.db2.gz GYRBCMTYVGBBNC-JTQLQIEISA-N 2 1 208.305 1.175 20 0 BDADMP C[C@@H](c1cccnc1)[NH+]1CCC([NH3+])CC1 ZINC000020521507 176028551 /nfs/dbraw/zinc/02/85/51/176028551.db2.gz QXZKHLPLHOGBGI-JTQLQIEISA-N 2 1 205.305 1.566 20 0 BDADMP C[C@@H]1CC([NH2+][C@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000369846498 176055661 /nfs/dbraw/zinc/05/56/61/176055661.db2.gz NJEDSKGMVDIPJK-UTUOFQBUSA-N 2 1 249.358 1.744 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000276627368 176150672 /nfs/dbraw/zinc/15/06/72/176150672.db2.gz ITPIUJGWLMKYRH-ZYHUDNBSSA-N 2 1 207.321 1.741 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000132015338 176173332 /nfs/dbraw/zinc/17/33/32/176173332.db2.gz LIIJGHWEHZTNSE-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309750365 176268198 /nfs/dbraw/zinc/26/81/98/176268198.db2.gz GODXGLXDGAZTDP-ZJUUUORDSA-N 2 1 232.318 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CC1(C)C ZINC000336773082 176270909 /nfs/dbraw/zinc/27/09/09/176270909.db2.gz YQJYYXSRQUDIQT-IJLUTSLNSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCn1ccnc1 ZINC000041119543 176278949 /nfs/dbraw/zinc/27/89/49/176278949.db2.gz QNZZIYSCIVTMEZ-JHJVBQTASA-N 2 1 236.363 1.201 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2CC2)CCCO1 ZINC000309752009 176289316 /nfs/dbraw/zinc/28/93/16/176289316.db2.gz GYVIFZHLWILBOM-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251694899 176294501 /nfs/dbraw/zinc/29/45/01/176294501.db2.gz IMXDXAUKJSDLQD-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000051919010 176294820 /nfs/dbraw/zinc/29/48/20/176294820.db2.gz IJCXMGYUXOSRLV-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000252681937 176300219 /nfs/dbraw/zinc/30/02/19/176300219.db2.gz BGWUVXGADHHMKI-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000310059687 176341258 /nfs/dbraw/zinc/34/12/58/176341258.db2.gz JZDGJALIDLUTGY-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000310059687 176341259 /nfs/dbraw/zinc/34/12/59/176341259.db2.gz JZDGJALIDLUTGY-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000304581784 176353347 /nfs/dbraw/zinc/35/33/47/176353347.db2.gz YLYIQEXMIBTMBT-MDZLAQPJSA-N 2 1 240.416 1.812 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235381677 176369453 /nfs/dbraw/zinc/36/94/53/176369453.db2.gz QPXMERORNCXHHA-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCC2)CC[N@@H+]1C ZINC000353510914 176378130 /nfs/dbraw/zinc/37/81/30/176378130.db2.gz OKVKEMPVEURROO-XBFCOCLRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCC2)CC[N@H+]1C ZINC000353510914 176378131 /nfs/dbraw/zinc/37/81/31/176378131.db2.gz OKVKEMPVEURROO-XBFCOCLRSA-N 2 1 240.391 1.610 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)co1 ZINC000310345189 487636803 /nfs/dbraw/zinc/63/68/03/487636803.db2.gz PBOSKHDJLDLKSR-NSHDSACASA-N 2 1 223.320 1.544 20 0 BDADMP C[C@H](CO)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000678043910 487637081 /nfs/dbraw/zinc/63/70/81/487637081.db2.gz JDEMJAHIDCQLAO-QJPTWQEYSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000678043910 487637085 /nfs/dbraw/zinc/63/70/85/487637085.db2.gz JDEMJAHIDCQLAO-QJPTWQEYSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000678043910 487637088 /nfs/dbraw/zinc/63/70/88/487637088.db2.gz JDEMJAHIDCQLAO-QJPTWQEYSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000678043910 487637094 /nfs/dbraw/zinc/63/70/94/487637094.db2.gz JDEMJAHIDCQLAO-QJPTWQEYSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000678043910 487637099 /nfs/dbraw/zinc/63/70/99/487637099.db2.gz JDEMJAHIDCQLAO-QJPTWQEYSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361982977 177234484 /nfs/dbraw/zinc/23/44/84/177234484.db2.gz SEUVRQFXMIAMEB-GFJIZPEISA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361982977 177234486 /nfs/dbraw/zinc/23/44/86/177234486.db2.gz SEUVRQFXMIAMEB-GFJIZPEISA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000042896770 177252918 /nfs/dbraw/zinc/25/29/18/177252918.db2.gz SYFLEGHKHAFYIJ-JSGCOSHPSA-N 2 1 234.343 1.735 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000049709428 177263804 /nfs/dbraw/zinc/26/38/04/177263804.db2.gz JQRRWFTWLBWDHW-GWCFXTLKSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000049709428 177263805 /nfs/dbraw/zinc/26/38/05/177263805.db2.gz JQRRWFTWLBWDHW-GWCFXTLKSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235699308 177324370 /nfs/dbraw/zinc/32/43/70/177324370.db2.gz QPXMERORNCXHHA-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c[nH]nc21 ZINC000334143248 177324626 /nfs/dbraw/zinc/32/46/26/177324626.db2.gz RAPFSMSVVRMCSR-QWRGUYRKSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC(C)(C)[NH+](C)C ZINC000036908114 177330925 /nfs/dbraw/zinc/33/09/25/177330925.db2.gz DZOSUHWCFLDIIK-FRRDWIJNSA-N 2 1 241.423 1.645 20 0 BDADMP C[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308999903 177345139 /nfs/dbraw/zinc/34/51/39/177345139.db2.gz RGADXXFYXDOZBO-WDEREUQCSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccsc1 ZINC000126717276 177361121 /nfs/dbraw/zinc/36/11/21/177361121.db2.gz GYPUCNSCKUJHPE-GXSJLCMTSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CC[NH2+]1 ZINC000334866416 177370557 /nfs/dbraw/zinc/37/05/57/177370557.db2.gz VZAIQOFAFPUSFA-GXSJLCMTSA-N 2 1 210.346 1.978 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000369846497 177371352 /nfs/dbraw/zinc/37/13/52/177371352.db2.gz NJEDSKGMVDIPJK-RNJOBUHISA-N 2 1 249.358 1.744 20 0 BDADMP C[C@H](Cn1ccnc1)N[C@H]1C[C@H](C)n2ccnc21 ZINC000345349516 177371764 /nfs/dbraw/zinc/37/17/64/177371764.db2.gz GSJHZCBSOZUYRN-WOPDTQHZSA-N 2 1 245.330 1.764 20 0 BDADMP CC1(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CCC1 ZINC000313349091 487640502 /nfs/dbraw/zinc/64/05/02/487640502.db2.gz UWNDDIDGDVEABE-NSHDSACASA-N 2 1 212.337 1.226 20 0 BDADMP CC1(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CCC1 ZINC000313349091 487640507 /nfs/dbraw/zinc/64/05/07/487640507.db2.gz UWNDDIDGDVEABE-NSHDSACASA-N 2 1 212.337 1.226 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000400389323 225143079 /nfs/dbraw/zinc/14/30/79/225143079.db2.gz MUHLFBQSLPFIDS-IJLUTSLNSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484512565 225249344 /nfs/dbraw/zinc/24/93/44/225249344.db2.gz SEUVRQFXMIAMEB-AAVRWANBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484512565 225249348 /nfs/dbraw/zinc/24/93/48/225249348.db2.gz SEUVRQFXMIAMEB-AAVRWANBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]([NH2+]CCCc1nccs1)[C@H]1CCC[NH2+]1 ZINC000400318886 226340307 /nfs/dbraw/zinc/34/03/07/226340307.db2.gz AKMDZKXJVMKCJY-WDEREUQCSA-N 2 1 239.388 1.806 20 0 BDADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000400350555 226341367 /nfs/dbraw/zinc/34/13/67/226341367.db2.gz JVWYGNSAJIBQFM-YUTCNCBUSA-N 2 1 246.354 1.720 20 0 BDADMP C[C@H](NCCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000400360840 226341723 /nfs/dbraw/zinc/34/17/23/226341723.db2.gz DARINEFCCJOTEL-RYUDHWBXSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@H]([NH2+][C@@H]1COCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000400433590 226343413 /nfs/dbraw/zinc/34/34/13/226343413.db2.gz LXRSYUCZHXQGFZ-HBNTYKKESA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400499579 226345117 /nfs/dbraw/zinc/34/51/17/226345117.db2.gz FMXNORZHYJKXMZ-GRYCIOLGSA-N 2 1 222.336 1.002 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1cncn1C ZINC000314899753 487669772 /nfs/dbraw/zinc/66/97/72/487669772.db2.gz NFIBPAIYIDAVCX-NEPJUHHUSA-N 2 1 236.363 1.164 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000228783574 487724478 /nfs/dbraw/zinc/72/44/78/487724478.db2.gz IOJDICGHYJSJKG-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP Fc1ccccc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000681111989 487730763 /nfs/dbraw/zinc/73/07/63/487730763.db2.gz QSVBBQCXNXTCHV-BETUJISGSA-N 2 1 234.318 1.519 20 0 BDADMP Fc1ccccc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000681111989 487730769 /nfs/dbraw/zinc/73/07/69/487730769.db2.gz QSVBBQCXNXTCHV-BETUJISGSA-N 2 1 234.318 1.519 20 0 BDADMP C[N@@H+](C[C@@H]1CNCCO1)[C@H]1CCc2ccccc21 ZINC000250416510 487732287 /nfs/dbraw/zinc/73/22/87/487732287.db2.gz OPJCKKZZDUACLA-ZFWWWQNUSA-N 2 1 246.354 1.594 20 0 BDADMP CN(C[C@@H]1C[NH2+]CCO1)[C@H]1CCc2ccccc21 ZINC000250416510 487732290 /nfs/dbraw/zinc/73/22/90/487732290.db2.gz OPJCKKZZDUACLA-ZFWWWQNUSA-N 2 1 246.354 1.594 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000226538003 487754929 /nfs/dbraw/zinc/75/49/29/487754929.db2.gz SKNMXKYBBQULEA-GVXVVHGQSA-N 2 1 219.332 1.812 20 0 BDADMP CC[C@H]1C[N@@H+](CCCOC)CC[C@H]1[NH3+] ZINC000251522777 487764472 /nfs/dbraw/zinc/76/44/72/487764472.db2.gz AAOVAPLQARYOGN-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000459495617 487766059 /nfs/dbraw/zinc/76/60/59/487766059.db2.gz DYPBZICFJUTUDI-ZDUSSCGKSA-N 2 1 237.347 1.103 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@H]2CCC[C@@H]21 ZINC000671749740 487765956 /nfs/dbraw/zinc/76/59/56/487765956.db2.gz NCSOZURWYMQWPA-AGIUHOORSA-N 2 1 238.375 1.221 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H](CO)C1CCCC1 ZINC000459495614 487766173 /nfs/dbraw/zinc/76/61/73/487766173.db2.gz DYPBZICFJUTUDI-CYBMUJFWSA-N 2 1 237.347 1.103 20 0 BDADMP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000668458693 487782378 /nfs/dbraw/zinc/78/23/78/487782378.db2.gz HKJBVBYQUSHCKU-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000668458693 487782382 /nfs/dbraw/zinc/78/23/82/487782382.db2.gz HKJBVBYQUSHCKU-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CO)[C@@H]2CCC[C@@H]21 ZINC000671753813 487795690 /nfs/dbraw/zinc/79/56/90/487795690.db2.gz VEKTUSDZOFYMTJ-AVGNSLFASA-N 2 1 240.391 1.467 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC(C)(C)O)C1CC1 ZINC000191840699 487800086 /nfs/dbraw/zinc/80/00/86/487800086.db2.gz SUOBDYLEVXZBNQ-UHFFFAOYSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC000309238385 487801193 /nfs/dbraw/zinc/80/11/93/487801193.db2.gz KAAUKSSVCYQVQM-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC000309238385 487801201 /nfs/dbraw/zinc/80/12/01/487801201.db2.gz KAAUKSSVCYQVQM-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC000309238385 487801205 /nfs/dbraw/zinc/80/12/05/487801205.db2.gz KAAUKSSVCYQVQM-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)CC[C@H]1[NH3+] ZINC000251868619 487803677 /nfs/dbraw/zinc/80/36/77/487803677.db2.gz UFNQSYLQQQMIRM-IJLUTSLNSA-N 2 1 234.347 1.597 20 0 BDADMP CC[C@@H]1C[N@H+]([C@H](C)c2cnccn2)CC[C@H]1[NH3+] ZINC000251868619 487803682 /nfs/dbraw/zinc/80/36/82/487803682.db2.gz UFNQSYLQQQMIRM-IJLUTSLNSA-N 2 1 234.347 1.597 20 0 BDADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCC[NH3+] ZINC000414702204 487818537 /nfs/dbraw/zinc/81/85/37/487818537.db2.gz HTRCEOKNODABCM-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CCC[NH3+])C1 ZINC000414757893 487821481 /nfs/dbraw/zinc/82/14/81/487821481.db2.gz UEVGWICEVMTCLN-RFGFWPKPSA-N 2 1 240.391 1.597 20 0 BDADMP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1CCC[NH3+] ZINC000414757567 487822323 /nfs/dbraw/zinc/82/23/23/487822323.db2.gz LJELVOXNQUQKOQ-BDAKNGLRSA-N 2 1 224.270 1.998 20 0 BDADMP CC(C)(C)[C@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000414762395 487823235 /nfs/dbraw/zinc/82/32/35/487823235.db2.gz LAHUSHZMYMLQMS-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)(C)[C@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000414762395 487823242 /nfs/dbraw/zinc/82/32/42/487823242.db2.gz LAHUSHZMYMLQMS-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C)nc1 ZINC000414813807 487824964 /nfs/dbraw/zinc/82/49/64/487824964.db2.gz UPGTUFNETKPFIR-UHFFFAOYSA-N 2 1 221.348 1.997 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000414921791 487829117 /nfs/dbraw/zinc/82/91/17/487829117.db2.gz FWNHTLUWVGMRSN-DGAVXFQQSA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000414921791 487829119 /nfs/dbraw/zinc/82/91/19/487829119.db2.gz FWNHTLUWVGMRSN-DGAVXFQQSA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000414921791 487829123 /nfs/dbraw/zinc/82/91/23/487829123.db2.gz FWNHTLUWVGMRSN-DGAVXFQQSA-N 3 1 239.407 1.576 20 0 BDADMP BrC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000846777043 588287726 /nfs/dbraw/zinc/28/77/26/588287726.db2.gz CLFMYJYCPLRZNU-RKDXNWHRSA-N 2 1 245.164 1.065 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000666770575 487877400 /nfs/dbraw/zinc/87/74/00/487877400.db2.gz KBLNUDZWHQTQFK-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770462 487877620 /nfs/dbraw/zinc/87/76/20/487877620.db2.gz BZRPFFVTCGMQGH-OLZOCXBDSA-N 2 1 228.380 1.923 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc2ccccn12 ZINC000666805851 487883456 /nfs/dbraw/zinc/88/34/56/487883456.db2.gz NAHOTGIFGPCFOR-UHFFFAOYSA-N 2 1 218.304 1.033 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403790145 487887874 /nfs/dbraw/zinc/88/78/74/487887874.db2.gz YDYSLBONFGAKMB-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403790145 487887880 /nfs/dbraw/zinc/88/78/80/487887880.db2.gz YDYSLBONFGAKMB-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1-n1cncn1 ZINC000666910460 487901834 /nfs/dbraw/zinc/90/18/34/487901834.db2.gz PIOUCTFERUHDCM-GFCCVEGCSA-N 2 1 245.330 1.094 20 0 BDADMP COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000157124413 487906318 /nfs/dbraw/zinc/90/63/18/487906318.db2.gz WFOYLPKWNTXWQR-UHFFFAOYSA-N 2 1 249.358 1.522 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C)C1 ZINC000666947806 487912241 /nfs/dbraw/zinc/91/22/41/487912241.db2.gz IRJSNLRGAOPMBI-MROQNXINSA-N 2 1 243.370 1.006 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955423 487916862 /nfs/dbraw/zinc/91/68/62/487916862.db2.gz JGNIIVPPHUOWOZ-LLVKDONJSA-N 3 1 225.380 1.106 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCF)C1 ZINC000652363591 487932534 /nfs/dbraw/zinc/93/25/34/487932534.db2.gz IXSXHBLSFDOIML-JHJVBQTASA-N 2 1 244.354 1.707 20 0 BDADMP FC1(F)C[C@]12CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000652364257 487933046 /nfs/dbraw/zinc/93/30/46/487933046.db2.gz BMYWDYSCIZAHLC-ZJUUUORDSA-N 2 1 216.275 1.327 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000247251019 323012535 /nfs/dbraw/zinc/01/25/35/323012535.db2.gz ZSHZKVCJLAFNML-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H](C)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562382974 323018732 /nfs/dbraw/zinc/01/87/32/323018732.db2.gz CYCSXQLCRSHQJR-LLVKDONJSA-N 2 1 222.336 1.578 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000562744385 323029783 /nfs/dbraw/zinc/02/97/83/323029783.db2.gz DJSQAKRDKCMZLR-GHMZBOCLSA-N 2 1 202.342 1.232 20 0 BDADMP CC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000569837692 323042112 /nfs/dbraw/zinc/04/21/12/323042112.db2.gz UFEXGGTVMBMSQI-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221675957 323090965 /nfs/dbraw/zinc/09/09/65/323090965.db2.gz VWVQUVDJXWYFRJ-RYUDHWBXSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896414 323097978 /nfs/dbraw/zinc/09/79/78/323097978.db2.gz JVQOICJXHKWJBL-RWMBFGLXSA-N 3 1 225.380 1.045 20 0 BDADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000401833902 323127733 /nfs/dbraw/zinc/12/77/33/323127733.db2.gz HGSSUDWLJKXRTK-WCQYABFASA-N 2 1 237.347 1.367 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000310541203 323133008 /nfs/dbraw/zinc/13/30/08/323133008.db2.gz QYHQBOUQQSGBAS-HZSPNIEDSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@](C)(O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249367933 323139015 /nfs/dbraw/zinc/13/90/15/323139015.db2.gz MUACZSFLIAYLIY-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@](C)(O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000249367933 323139016 /nfs/dbraw/zinc/13/90/16/323139016.db2.gz MUACZSFLIAYLIY-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@](C)(O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000249367933 323139017 /nfs/dbraw/zinc/13/90/17/323139017.db2.gz MUACZSFLIAYLIY-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000571295605 323140578 /nfs/dbraw/zinc/14/05/78/323140578.db2.gz ACLZGQFBDGCRMR-AAEUAGOBSA-N 2 1 228.380 1.766 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000571295606 323140605 /nfs/dbraw/zinc/14/06/05/323140605.db2.gz ACLZGQFBDGCRMR-DGCLKSJQSA-N 2 1 228.380 1.766 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC[NH2+]C(C)C)[C@H](C)C1 ZINC000571431254 323144708 /nfs/dbraw/zinc/14/47/08/323144708.db2.gz NEVUDSIWIMZHNX-ZIAGYGMSSA-N 2 1 241.423 1.694 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH2+]C(C)C)[C@H](C)C1 ZINC000571431254 323144709 /nfs/dbraw/zinc/14/47/09/323144709.db2.gz NEVUDSIWIMZHNX-ZIAGYGMSSA-N 3 1 241.423 1.694 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH2+]C(C)C)[C@H](C)C1 ZINC000571431254 323144710 /nfs/dbraw/zinc/14/47/10/323144710.db2.gz NEVUDSIWIMZHNX-ZIAGYGMSSA-N 3 1 241.423 1.694 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000305630850 323171202 /nfs/dbraw/zinc/17/12/02/323171202.db2.gz MLCMERUGQGCOQA-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000395120054 323187843 /nfs/dbraw/zinc/18/78/43/323187843.db2.gz GHAXBXIBFPAYCJ-JHJVBQTASA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000395158487 323189353 /nfs/dbraw/zinc/18/93/53/323189353.db2.gz MRQMNAQRAACVMK-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000309176539 323324046 /nfs/dbraw/zinc/32/40/46/323324046.db2.gz CVSMZCVFXCWWGV-LLVKDONJSA-N 2 1 225.336 1.188 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CSC ZINC000309301267 323341509 /nfs/dbraw/zinc/34/15/09/323341509.db2.gz YJPSCZZXOXPBHN-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CSC ZINC000309301267 323341505 /nfs/dbraw/zinc/34/15/05/323341505.db2.gz YJPSCZZXOXPBHN-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CSC ZINC000309301267 323341501 /nfs/dbraw/zinc/34/15/01/323341501.db2.gz YJPSCZZXOXPBHN-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527855753 323710633 /nfs/dbraw/zinc/71/06/33/323710633.db2.gz OATVGQYTZQFRJV-CMPLNLGQSA-N 2 1 219.332 1.970 20 0 BDADMP CO[C@H]1C[N@@H+](CCCn2ccnc2)CC[C@@H]1C ZINC000189274725 324194542 /nfs/dbraw/zinc/19/45/42/324194542.db2.gz WKVXCOVZAVHAGH-STQMWFEESA-N 2 1 237.347 1.630 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000231689957 324207016 /nfs/dbraw/zinc/20/70/16/324207016.db2.gz AWPGZEXBPZBFHZ-WUHRBBMRSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000231689957 324207019 /nfs/dbraw/zinc/20/70/19/324207019.db2.gz AWPGZEXBPZBFHZ-WUHRBBMRSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000123398148 324364738 /nfs/dbraw/zinc/36/47/38/324364738.db2.gz DNCWOUHRVFXRCO-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccncc1 ZINC000530225429 324544719 /nfs/dbraw/zinc/54/47/19/324544719.db2.gz ZTFPFXJEBYTECP-JQWIXIFHSA-N 2 1 205.305 1.137 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130233721 325026025 /nfs/dbraw/zinc/02/60/25/325026025.db2.gz VAHAWEQVYJWPDO-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP CCOCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000130230547 325027071 /nfs/dbraw/zinc/02/70/71/325027071.db2.gz QPWASNQCMCTUAY-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP CCCCNC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000566411893 326041212 /nfs/dbraw/zinc/04/12/12/326041212.db2.gz MSQJWVGNFLCSCG-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCN(C)c1ccccc1 ZINC000566412584 326041383 /nfs/dbraw/zinc/04/13/83/326041383.db2.gz HZACMSQRLOVWME-ZIAGYGMSSA-N 2 1 247.386 1.934 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000566549538 326063392 /nfs/dbraw/zinc/06/33/92/326063392.db2.gz JARDAZGIJCNZDO-ZYHUDNBSSA-N 2 1 214.353 1.376 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000567375504 326177861 /nfs/dbraw/zinc/17/78/61/326177861.db2.gz IIQAYCRZOGLSRB-ZJUUUORDSA-N 2 1 247.342 1.569 20 0 BDADMP C[C@@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000156052706 326217713 /nfs/dbraw/zinc/21/77/13/326217713.db2.gz WCDHLTYOIBGRKE-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP [NH3+]Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000567589426 326223860 /nfs/dbraw/zinc/22/38/60/326223860.db2.gz QFLMHCVDGDJWGR-YIONKMFJSA-N 2 1 245.370 1.518 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000568261432 326336878 /nfs/dbraw/zinc/33/68/78/326336878.db2.gz UMEMEEMSPWFOBP-QWHCGFSZSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000568261432 326336879 /nfs/dbraw/zinc/33/68/79/326336879.db2.gz UMEMEEMSPWFOBP-QWHCGFSZSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000568261432 326336880 /nfs/dbraw/zinc/33/68/80/326336880.db2.gz UMEMEEMSPWFOBP-QWHCGFSZSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000568261432 326336882 /nfs/dbraw/zinc/33/68/82/326336882.db2.gz UMEMEEMSPWFOBP-QWHCGFSZSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H](C)O ZINC000569230353 326396247 /nfs/dbraw/zinc/39/62/47/326396247.db2.gz VRVQGKOUWNKIIV-MJBXVCDLSA-N 2 1 242.407 2.000 20 0 BDADMP CC[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1C ZINC000677197238 488002935 /nfs/dbraw/zinc/00/29/35/488002935.db2.gz YAUISLOUOPQOLJ-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000309210377 488035972 /nfs/dbraw/zinc/03/59/72/488035972.db2.gz DIJDMEXJIFEWCJ-RYUDHWBXSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000309210377 488035978 /nfs/dbraw/zinc/03/59/78/488035978.db2.gz DIJDMEXJIFEWCJ-RYUDHWBXSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCSC1 ZINC000309210377 488035982 /nfs/dbraw/zinc/03/59/82/488035982.db2.gz DIJDMEXJIFEWCJ-RYUDHWBXSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCSC1 ZINC000309210377 488035988 /nfs/dbraw/zinc/03/59/88/488035988.db2.gz DIJDMEXJIFEWCJ-RYUDHWBXSA-N 2 1 246.420 1.125 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C1CCC1)C1CCC1 ZINC000653695900 488051987 /nfs/dbraw/zinc/05/19/87/488051987.db2.gz CYOLNRXRUGSJDE-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C1CCC1)C1CCC1 ZINC000653695900 488051992 /nfs/dbraw/zinc/05/19/92/488051992.db2.gz CYOLNRXRUGSJDE-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP Cc1ncc(C[N@H+](C[C@H](C)O)C(C)C)n1C ZINC000667602957 488057381 /nfs/dbraw/zinc/05/73/81/488057381.db2.gz SYZFVEGYIZJAKU-JTQLQIEISA-N 2 1 225.336 1.320 20 0 BDADMP C[C@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667618916 488060714 /nfs/dbraw/zinc/06/07/14/488060714.db2.gz NFPJEFRJJQOFOC-JTQLQIEISA-N 2 1 205.305 1.814 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000402142635 970763240 /nfs/dbraw/zinc/76/32/40/970763240.db2.gz MKAIUZNKGIBALD-XQQFMLRXSA-N 2 1 226.364 1.533 20 0 BDADMP Cc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)cc[nH+]1 ZINC000682918186 488064056 /nfs/dbraw/zinc/06/40/56/488064056.db2.gz CBRVPMGOXBTTOD-UHFFFAOYSA-N 2 1 249.358 1.283 20 0 BDADMP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226271830 488083752 /nfs/dbraw/zinc/08/37/52/488083752.db2.gz PTIUQMLIXIWWRY-RNJOBUHISA-N 2 1 224.348 1.116 20 0 BDADMP CO[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000230316202 488084216 /nfs/dbraw/zinc/08/42/16/488084216.db2.gz HTZJHBAXRVSPNQ-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000389467084 488097922 /nfs/dbraw/zinc/09/79/22/488097922.db2.gz UBSRJWWTUICBRL-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000389467084 488097927 /nfs/dbraw/zinc/09/79/27/488097927.db2.gz UBSRJWWTUICBRL-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP CCC[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000389715083 488108682 /nfs/dbraw/zinc/10/86/82/488108682.db2.gz GFTCVLJAUVTYNZ-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)([NH3+])CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000669510503 488112400 /nfs/dbraw/zinc/11/24/00/488112400.db2.gz VGFKAKHGXWOIFH-UHFFFAOYSA-N 2 1 247.342 1.250 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667822674 488128962 /nfs/dbraw/zinc/12/89/62/488128962.db2.gz QHHMDALPHQQFHJ-CHWSQXEVSA-N 2 1 235.331 1.349 20 0 BDADMP C[N@H+](CCc1ccc2c(c1)CCO2)CC(C)(C)[NH3+] ZINC000258747907 488132228 /nfs/dbraw/zinc/13/22/28/488132228.db2.gz GDNKUXNQTSSQDW-UHFFFAOYSA-N 2 1 248.370 1.833 20 0 BDADMP C[N@@H+](CCc1ccc2c(c1)CCO2)CC(C)(C)[NH3+] ZINC000258747907 488132235 /nfs/dbraw/zinc/13/22/35/488132235.db2.gz GDNKUXNQTSSQDW-UHFFFAOYSA-N 2 1 248.370 1.833 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCc1ccccc1 ZINC000309747378 487540890 /nfs/dbraw/zinc/54/08/90/487540890.db2.gz UWJHTLMVDPEMDA-HIFRSBDPSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000571304306 487530195 /nfs/dbraw/zinc/53/01/95/487530195.db2.gz HUHJSKFCPDPVPU-YUELXQCFSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000571304306 487530201 /nfs/dbraw/zinc/53/02/01/487530201.db2.gz HUHJSKFCPDPVPU-YUELXQCFSA-N 2 1 248.370 1.792 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1C1CC1)C1CC1 ZINC000685562397 487545707 /nfs/dbraw/zinc/54/57/07/487545707.db2.gz CKSLWCLFCUTMBO-ZIAGYGMSSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1C1CC1)C1CC1 ZINC000685562397 487545711 /nfs/dbraw/zinc/54/57/11/487545711.db2.gz CKSLWCLFCUTMBO-ZIAGYGMSSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CC1)C1CC1 ZINC000685562397 487545714 /nfs/dbraw/zinc/54/57/14/487545714.db2.gz CKSLWCLFCUTMBO-ZIAGYGMSSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CC1)C1CC1 ZINC000685562397 487545719 /nfs/dbraw/zinc/54/57/19/487545719.db2.gz CKSLWCLFCUTMBO-ZIAGYGMSSA-N 2 1 238.375 1.316 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000227065776 487493053 /nfs/dbraw/zinc/49/30/53/487493053.db2.gz QHFGHUGEYDOZRJ-FRRDWIJNSA-N 2 1 228.380 1.859 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000231984935 487495253 /nfs/dbraw/zinc/49/52/53/487495253.db2.gz QBMLMAVTNUHXOK-ZYHUDNBSSA-N 2 1 212.337 1.238 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000381082915 487495497 /nfs/dbraw/zinc/49/54/97/487495497.db2.gz RXALDGRPKUPATA-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000227735043 487504572 /nfs/dbraw/zinc/50/45/72/487504572.db2.gz QXNFBJPIFKSNDP-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266950 487504976 /nfs/dbraw/zinc/50/49/76/487504976.db2.gz QYPDPWQJLGPRME-WDEREUQCSA-N 2 1 246.301 1.096 20 0 BDADMP FC1(F)C[C@@H]1OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266950 487504980 /nfs/dbraw/zinc/50/49/80/487504980.db2.gz QYPDPWQJLGPRME-WDEREUQCSA-N 2 1 246.301 1.096 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000308804695 487512418 /nfs/dbraw/zinc/51/24/18/487512418.db2.gz FTFVWUIAWPVQBD-RNJOBUHISA-N 2 1 210.365 1.996 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662267796 487509055 /nfs/dbraw/zinc/50/90/55/487509055.db2.gz YTQJAHXYBKQJPR-DRZSPHRISA-N 2 1 235.331 1.542 20 0 BDADMP Cc1ncccc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000304553755 487510653 /nfs/dbraw/zinc/51/06/53/487510653.db2.gz KKEBQSBGVYJKLX-ZDUSSCGKSA-N 2 1 221.348 1.853 20 0 BDADMP Cc1nnsc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000390237888 488141923 /nfs/dbraw/zinc/14/19/23/488141923.db2.gz GOLUBGJDGGKWJM-SNVBAGLBSA-N 2 1 240.376 1.407 20 0 BDADMP c1nc2n(c1C[N@H+]1CC[C@H]3COC[C@H]3C1)CCC2 ZINC000668705927 488145660 /nfs/dbraw/zinc/14/56/60/488145660.db2.gz OLRZQOAJYGRXJC-NWDGAFQWSA-N 2 1 247.342 1.298 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC1(F)CC1)C2 ZINC000390308788 488145887 /nfs/dbraw/zinc/14/58/87/488145887.db2.gz FJMOAXYMIHWYIA-QWRGUYRKSA-N 2 1 212.312 1.549 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC12CCOCC2 ZINC000683525951 488186513 /nfs/dbraw/zinc/18/65/13/488186513.db2.gz NKKDAKGCFBYUSG-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC12CCOCC2 ZINC000683525951 488186515 /nfs/dbraw/zinc/18/65/15/488186515.db2.gz NKKDAKGCFBYUSG-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC12CCOCC2 ZINC000683525951 488186517 /nfs/dbraw/zinc/18/65/17/488186517.db2.gz NKKDAKGCFBYUSG-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP CC[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000678081877 488192972 /nfs/dbraw/zinc/19/29/72/488192972.db2.gz GDVPCYAIGKKEQS-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000678081877 488192974 /nfs/dbraw/zinc/19/29/74/488192974.db2.gz GDVPCYAIGKKEQS-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000678081877 488192977 /nfs/dbraw/zinc/19/29/77/488192977.db2.gz GDVPCYAIGKKEQS-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)[C@@H](C)C1 ZINC000669544123 488197061 /nfs/dbraw/zinc/19/70/61/488197061.db2.gz SSYHBVBOVDAHDY-XQQFMLRXSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@@]1(C)CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668203782 488223719 /nfs/dbraw/zinc/22/37/19/488223719.db2.gz SSDMHPWNWMRKKX-AWEZNQCLSA-N 2 1 249.358 1.688 20 0 BDADMP c1nc(C2CC2)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000683832169 488229666 /nfs/dbraw/zinc/22/96/66/488229666.db2.gz QDDNLOBCADYYMY-GHMZBOCLSA-N 2 1 249.383 1.672 20 0 BDADMP COc1ncccc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130014100 490203300 /nfs/dbraw/zinc/20/33/00/490203300.db2.gz USJXYBIKLIUVHN-AAEUAGOBSA-N 2 1 249.358 1.663 20 0 BDADMP CN(C)c1cccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000647990379 490359461 /nfs/dbraw/zinc/35/94/61/490359461.db2.gz UYKIQHPYLFMDHH-AWEZNQCLSA-N 2 1 247.386 1.794 20 0 BDADMP Cc1ccccc1[C@H](C)N(C)C[C@@H]1C[NH2+]CCO1 ZINC000125443469 490501525 /nfs/dbraw/zinc/50/15/25/490501525.db2.gz CLOHFFTZDLLYIP-KBPBESRZSA-N 2 1 248.370 1.976 20 0 BDADMP C[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400726923 533836443 /nfs/dbraw/zinc/83/64/43/533836443.db2.gz PRJIDNIWXIZFTI-RYUDHWBXSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000309094694 533899958 /nfs/dbraw/zinc/89/99/58/533899958.db2.gz CJQGZCOSNSAITF-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000309094694 533899964 /nfs/dbraw/zinc/89/99/64/533899964.db2.gz CJQGZCOSNSAITF-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP COc1ccccc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400352931 534047261 /nfs/dbraw/zinc/04/72/61/534047261.db2.gz ACXMHZHZQQGGJG-GXTWGEPZSA-N 2 1 248.370 1.968 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261570080 535870599 /nfs/dbraw/zinc/87/05/99/535870599.db2.gz GOXJSMWTNMTARL-GFCCVEGCSA-N 2 1 222.336 1.074 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261570080 535870606 /nfs/dbraw/zinc/87/06/06/535870606.db2.gz GOXJSMWTNMTARL-GFCCVEGCSA-N 2 1 222.336 1.074 20 0 BDADMP CCc1nc(N2CC[C@]3(CC[NH2+]C3)C2)cc(C)[nH+]1 ZINC000261575976 536125358 /nfs/dbraw/zinc/12/53/58/536125358.db2.gz NMBNBUCQFRQDRL-AWEZNQCLSA-N 2 1 246.358 1.537 20 0 BDADMP CCc1nc(N2C[C@H](C)[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000261589614 536126617 /nfs/dbraw/zinc/12/66/17/536126617.db2.gz TYNMCISZXIVLKF-WCBMZHEXSA-N 2 1 220.320 1.131 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261775990 536137749 /nfs/dbraw/zinc/13/77/49/536137749.db2.gz FBKRDWNHVOSYDJ-KGLIPLIRSA-N 3 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261775990 536137751 /nfs/dbraw/zinc/13/77/51/536137751.db2.gz FBKRDWNHVOSYDJ-KGLIPLIRSA-N 3 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC000173364387 527884111 /nfs/dbraw/zinc/88/41/11/527884111.db2.gz ZBFONQGKCCCOEW-YPMHNXCESA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC000173364387 527884114 /nfs/dbraw/zinc/88/41/14/527884114.db2.gz ZBFONQGKCCCOEW-YPMHNXCESA-N 2 1 236.363 1.240 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400509122 527966688 /nfs/dbraw/zinc/96/66/88/527966688.db2.gz KWWPRBPEZAJICH-SDDRHHMPSA-N 2 1 214.353 1.124 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400514698 528485012 /nfs/dbraw/zinc/48/50/12/528485012.db2.gz MOQPCNCGCHIYKC-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000165078720 528655737 /nfs/dbraw/zinc/65/57/37/528655737.db2.gz ZJGJTPSZNOQPEQ-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400331977 528865598 /nfs/dbraw/zinc/86/55/98/528865598.db2.gz DZFDJCBVUFUGPY-CYZMBNFOSA-N 2 1 228.380 1.514 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000471760315 528965684 /nfs/dbraw/zinc/96/56/84/528965684.db2.gz QEZMAZHENFBZQS-OLZOCXBDSA-N 2 1 242.407 2.000 20 0 BDADMP CCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519999 534937678 /nfs/dbraw/zinc/93/76/78/534937678.db2.gz QZMBVKVGAHPKPY-UHFFFAOYSA-N 2 1 235.331 1.622 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC000178975233 535041259 /nfs/dbraw/zinc/04/12/59/535041259.db2.gz OCQFKBNZMCFIAR-TXEJJXNPSA-N 2 1 208.349 1.574 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCOCC2(CCC2)C1 ZINC000261573456 535199866 /nfs/dbraw/zinc/19/98/66/535199866.db2.gz IVLWKXLHCLFVSU-UHFFFAOYSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCOCC2(CCC2)C1 ZINC000261573456 535199873 /nfs/dbraw/zinc/19/98/73/535199873.db2.gz IVLWKXLHCLFVSU-UHFFFAOYSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336054874 535234855 /nfs/dbraw/zinc/23/48/55/535234855.db2.gz PCCNXHNVAAFOSY-UONOGXRCSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000336054874 535234857 /nfs/dbraw/zinc/23/48/57/535234857.db2.gz PCCNXHNVAAFOSY-UONOGXRCSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@H]1CN(C)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000336054874 535234861 /nfs/dbraw/zinc/23/48/61/535234861.db2.gz PCCNXHNVAAFOSY-UONOGXRCSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC1(O)CCCC1 ZINC000178466329 535502682 /nfs/dbraw/zinc/50/26/82/535502682.db2.gz BGVQZSKXRQQESZ-UHFFFAOYSA-N 2 1 242.407 1.955 20 0 BDADMP CCOCC[N@@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000084385924 535586016 /nfs/dbraw/zinc/58/60/16/535586016.db2.gz WMFURZVOHJEIMC-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP CCOC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000260173239 535648902 /nfs/dbraw/zinc/64/89/02/535648902.db2.gz FVKHBIYNZNWYKB-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000260173239 535648908 /nfs/dbraw/zinc/64/89/08/535648908.db2.gz FVKHBIYNZNWYKB-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CCS[C@H]1CCCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261535360 535724924 /nfs/dbraw/zinc/72/49/24/535724924.db2.gz OGZGUJBFNIAYER-QWRGUYRKSA-N 2 1 216.394 1.941 20 0 BDADMP CCc1cc(N2CCC(C[NH3+])CC2)nc(C)[nH+]1 ZINC000045954869 536145138 /nfs/dbraw/zinc/14/51/38/536145138.db2.gz NFLAMSYPQAKKHC-UHFFFAOYSA-N 2 1 234.347 1.523 20 0 BDADMP C[NH2+][C@H](C)CNc1cc[nH+]cc1Br ZINC000261530460 536404472 /nfs/dbraw/zinc/40/44/72/536404472.db2.gz ZZWBQCXSVHITDW-SSDOTTSWSA-N 2 1 244.136 1.864 20 0 BDADMP COC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCC1 ZINC000185230417 536682482 /nfs/dbraw/zinc/68/24/82/536682482.db2.gz WQHFAHAXWVXDLO-UHFFFAOYSA-N 2 1 249.358 1.806 20 0 BDADMP CO[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000299908408 536708320 /nfs/dbraw/zinc/70/83/20/536708320.db2.gz JNIGNSLGELRHJN-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000299908408 536708325 /nfs/dbraw/zinc/70/83/25/536708325.db2.gz JNIGNSLGELRHJN-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@]1(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420929 566396395 /nfs/dbraw/zinc/39/63/95/566396395.db2.gz QPISGUGSODTTBX-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420929 566396404 /nfs/dbraw/zinc/39/64/04/566396404.db2.gz QPISGUGSODTTBX-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP CCn1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000133530469 566434235 /nfs/dbraw/zinc/43/42/35/566434235.db2.gz JNBSJAQJTFMQND-ZDUSSCGKSA-N 2 1 238.379 1.708 20 0 BDADMP CCn1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000133530469 566434242 /nfs/dbraw/zinc/43/42/42/566434242.db2.gz JNBSJAQJTFMQND-ZDUSSCGKSA-N 2 1 238.379 1.708 20 0 BDADMP CCCSC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000893605930 583171544 /nfs/dbraw/zinc/17/15/44/583171544.db2.gz LCWTZIWYWHURDO-NWDGAFQWSA-N 2 1 246.420 1.174 20 0 BDADMP CCCSC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000893605930 583171545 /nfs/dbraw/zinc/17/15/45/583171545.db2.gz LCWTZIWYWHURDO-NWDGAFQWSA-N 2 1 246.420 1.174 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)Nc1cc[nH+]cc1CO ZINC000893905098 583243054 /nfs/dbraw/zinc/24/30/54/583243054.db2.gz LVYBUXAZMMFQSM-NSHDSACASA-N 2 1 237.347 1.136 20 0 BDADMP NC[C@H]1CCCC[N@@H+]1CCC1SCCS1 ZINC000853022957 588716794 /nfs/dbraw/zinc/71/67/94/588716794.db2.gz IZSHBVNHIYVKNE-SNVBAGLBSA-N 2 1 246.445 1.996 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCC1SCCS1 ZINC000853022957 588716796 /nfs/dbraw/zinc/71/67/96/588716796.db2.gz IZSHBVNHIYVKNE-SNVBAGLBSA-N 2 1 246.445 1.996 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]1CCC1SCCS1 ZINC000853022957 588716797 /nfs/dbraw/zinc/71/67/97/588716797.db2.gz IZSHBVNHIYVKNE-SNVBAGLBSA-N 2 1 246.445 1.996 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000853248332 588728993 /nfs/dbraw/zinc/72/89/93/588728993.db2.gz DEYTWJZQQJALOZ-ZDCRXTMVSA-N 2 1 246.445 1.564 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)C1C[NH2+]C1 ZINC000854229603 588780907 /nfs/dbraw/zinc/78/09/07/588780907.db2.gz SDKIARQKIRWQEE-QCZZGDTMSA-N 2 1 232.327 1.362 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000891660187 582706434 /nfs/dbraw/zinc/70/64/34/582706434.db2.gz NFFIGSPHMYNIAX-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000891783490 582720489 /nfs/dbraw/zinc/72/04/89/582720489.db2.gz HLLUJARQLMNCFA-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)C[C@H](C)Nc1nc(N)cc(C)[nH+]1 ZINC000892032034 582767011 /nfs/dbraw/zinc/76/70/11/582767011.db2.gz FJBVXEAHDZEJSB-JTQLQIEISA-N 2 1 237.351 1.509 20 0 BDADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])N2CCCCC2)C1 ZINC000849004158 582821882 /nfs/dbraw/zinc/82/18/82/582821882.db2.gz CVPHRWAGZIJUDU-LBPRGKRZSA-N 2 1 238.379 1.338 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000849006067 582822539 /nfs/dbraw/zinc/82/25/39/582822539.db2.gz QFBRWHDHNFKGHA-GFCCVEGCSA-N 2 1 238.379 1.527 20 0 BDADMP CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000849013684 582825796 /nfs/dbraw/zinc/82/57/96/582825796.db2.gz IRJBJBDTBFFRMT-LBPRGKRZSA-N 2 1 240.395 1.488 20 0 BDADMP CCCC[N@@H+](C)CCNc1cc[nH+]cc1CO ZINC000892491685 582897995 /nfs/dbraw/zinc/89/79/95/582897995.db2.gz FICLUWBPKVDOKR-UHFFFAOYSA-N 2 1 237.347 1.140 20 0 BDADMP Cc1cc(F)ncc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000892762690 582977851 /nfs/dbraw/zinc/97/78/51/582977851.db2.gz CVQKUUMOAWBLFS-NSHDSACASA-N 2 1 239.338 1.959 20 0 BDADMP C[N@@H+](CCNCc1c[nH]cn1)C1CCCCC1 ZINC000894206961 583351304 /nfs/dbraw/zinc/35/13/04/583351304.db2.gz QMVLWJOKAKZZFN-UHFFFAOYSA-N 2 1 236.363 1.764 20 0 BDADMP C[N@H+](CCNCc1cnc[nH]1)C1CCCCC1 ZINC000894206961 583351305 /nfs/dbraw/zinc/35/13/05/583351305.db2.gz QMVLWJOKAKZZFN-UHFFFAOYSA-N 2 1 236.363 1.764 20 0 BDADMP C[N@@H+](CCNCc1cnc[nH]1)C1CCCCC1 ZINC000894206961 583351308 /nfs/dbraw/zinc/35/13/08/583351308.db2.gz QMVLWJOKAKZZFN-UHFFFAOYSA-N 2 1 236.363 1.764 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCOCC23CC3)CC1 ZINC000894278386 583406758 /nfs/dbraw/zinc/40/67/58/583406758.db2.gz FUSJJDGZUGERSC-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H]1CNc1cc[nH+]cc1CO ZINC000894476993 583469900 /nfs/dbraw/zinc/46/99/00/583469900.db2.gz VUMZSMBNYQXAOJ-LBPRGKRZSA-N 2 1 249.358 1.281 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]2C2CC2)CC1 ZINC000894690986 583508375 /nfs/dbraw/zinc/50/83/75/583508375.db2.gz WLQWZBYXPVHIEA-CYBMUJFWSA-N 2 1 208.349 1.813 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000894806751 583522994 /nfs/dbraw/zinc/52/29/94/583522994.db2.gz KGKCZOZAIDVVQA-LLVKDONJSA-N 2 1 242.363 1.402 20 0 BDADMP CCn1nccc1C[NH2+]Cc1c(C)ccnc1N ZINC000895359418 583659181 /nfs/dbraw/zinc/65/91/81/583659181.db2.gz DRYOLRUMDZKTKR-UHFFFAOYSA-N 2 1 245.330 1.478 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000895386801 583663315 /nfs/dbraw/zinc/66/33/15/583663315.db2.gz YCCILGUTEXEEBY-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP Cc1cc(F)ncc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895428476 583668676 /nfs/dbraw/zinc/66/86/76/583668676.db2.gz HBUSMJPWIYJWSS-NSHDSACASA-N 2 1 239.338 1.959 20 0 BDADMP C[C@H]1[C@H](Nc2nccc(N(C)C)n2)CC[N@H+]1C ZINC000895740216 583714030 /nfs/dbraw/zinc/71/40/30/583714030.db2.gz MKVVPFJSCMBDLQ-VHSXEESVSA-N 2 1 235.335 1.047 20 0 BDADMP CN1CC[C@H]1CNc1nccc(N2CCCC2)n1 ZINC000895772266 583725452 /nfs/dbraw/zinc/72/54/52/583725452.db2.gz ZQWZLFYVLVVTLL-NSHDSACASA-N 2 1 247.346 1.193 20 0 BDADMP C[C@H]1[C@H](NCc2cn(C)nc2C2CC2)CC[N@@H+]1C ZINC000896554529 583811561 /nfs/dbraw/zinc/81/15/61/583811561.db2.gz UTOZHNCVFWWLQG-GXFFZTMASA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H]1[C@H](NCc2cn(C)nc2C2CC2)CC[N@H+]1C ZINC000896554529 583811563 /nfs/dbraw/zinc/81/15/63/583811563.db2.gz UTOZHNCVFWWLQG-GXFFZTMASA-N 2 1 248.374 1.480 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCC[S@](C)=O)CC1(C)C ZINC000858138767 588934804 /nfs/dbraw/zinc/93/48/04/588934804.db2.gz ARNUAULNWLFQBL-ZBEGNZNMSA-N 2 1 246.420 1.217 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC[S@](C)=O)CC1(C)C ZINC000858138767 588934806 /nfs/dbraw/zinc/93/48/06/588934806.db2.gz ARNUAULNWLFQBL-ZBEGNZNMSA-N 2 1 246.420 1.217 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)C2CC2)CC1(C)C ZINC000858138071 588934994 /nfs/dbraw/zinc/93/49/94/588934994.db2.gz NJIVFFUGAJVKIN-VXGBXAGGSA-N 2 1 226.364 1.220 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000250661910 583963671 /nfs/dbraw/zinc/96/36/71/583963671.db2.gz YXXJCERVRPLCDC-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])N[C@@H]1C[C@@H]1C)C(C)C ZINC000864456777 584006263 /nfs/dbraw/zinc/00/62/63/584006263.db2.gz MHIVGPIGVKZECD-WDEREUQCSA-N 2 1 226.368 1.239 20 0 BDADMP CC[C@@](C)(C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000897620193 584032212 /nfs/dbraw/zinc/03/22/12/584032212.db2.gz IPIHCFIQCATDFJ-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@](C)(C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000897620193 584032213 /nfs/dbraw/zinc/03/22/13/584032213.db2.gz IPIHCFIQCATDFJ-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@](C)(C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000897620193 584032214 /nfs/dbraw/zinc/03/22/14/584032214.db2.gz IPIHCFIQCATDFJ-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP CCCOc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000841063498 584126798 /nfs/dbraw/zinc/12/67/98/584126798.db2.gz KUGAGUMIKVXQMA-NSHDSACASA-N 2 1 222.332 1.912 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@H]1CCC[NH2+]1 ZINC000873281529 584128864 /nfs/dbraw/zinc/12/88/64/584128864.db2.gz KTUHKJSWYGCKMJ-QSLWVIQJSA-N 2 1 238.375 1.674 20 0 BDADMP Cl/C=C/C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000898430180 584134221 /nfs/dbraw/zinc/13/42/21/584134221.db2.gz WEPIJGPZUXTOFT-ZGTSGANGSA-N 2 1 244.766 1.582 20 0 BDADMP C[C@@H](NC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000899264351 584189015 /nfs/dbraw/zinc/18/90/15/584189015.db2.gz CJSZNXAWIWARTJ-VHSXEESVSA-N 2 1 238.379 1.382 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899265382 584189479 /nfs/dbraw/zinc/18/94/79/584189479.db2.gz AMYUNEGLYYBXHA-LLVKDONJSA-N 2 1 240.395 1.629 20 0 BDADMP C[C@@H](NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000899272120 584192063 /nfs/dbraw/zinc/19/20/63/584192063.db2.gz YIFLMQGMWCTISV-MWLCHTKSSA-N 2 1 247.346 1.110 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCN2CCCC2)C1 ZINC000902326671 584560768 /nfs/dbraw/zinc/56/07/68/584560768.db2.gz CTIBYRBJFMEXOI-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]CCN2CCCC2)C1 ZINC000902326672 584560888 /nfs/dbraw/zinc/56/08/88/584560888.db2.gz CTIBYRBJFMEXOI-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP COc1cccc([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902416640 584590687 /nfs/dbraw/zinc/59/06/87/584590687.db2.gz VJDRNFIJMULEBC-JTQLQIEISA-N 2 1 220.316 1.837 20 0 BDADMP C[C@@H](Cc1ccsc1)[NH2+]CC1([NH3+])CC1 ZINC000902416844 584591275 /nfs/dbraw/zinc/59/12/75/584591275.db2.gz OPYDBSYRFNENNH-VIFPVBQESA-N 2 1 210.346 1.760 20 0 BDADMP C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)C1C[NH2+]C1 ZINC000902429764 584594999 /nfs/dbraw/zinc/59/49/99/584594999.db2.gz GTPVWFFMFPNEON-NSHDSACASA-N 2 1 248.374 1.381 20 0 BDADMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c(C)n1 ZINC000902414040 584599620 /nfs/dbraw/zinc/59/96/20/584599620.db2.gz QZGDSNDPATWYCM-SNVBAGLBSA-N 2 1 219.332 1.840 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@H+]1C1CC1 ZINC000902474496 584601824 /nfs/dbraw/zinc/60/18/24/584601824.db2.gz FPECVYALCYHSLE-SSYGJKRZSA-N 2 1 235.375 1.094 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902474644 584601975 /nfs/dbraw/zinc/60/19/75/584601975.db2.gz HEYJNYPHODZYKI-FHUSYTEZSA-N 2 1 238.375 1.673 20 0 BDADMP C1C[C@@H]2C[C@H](N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@H+]2C1 ZINC000902475290 584602678 /nfs/dbraw/zinc/60/26/78/584602678.db2.gz HRZQXTNTZMTROF-XGFWRYKXSA-N 2 1 235.375 1.096 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478520 584603273 /nfs/dbraw/zinc/60/32/73/584603273.db2.gz YCUAIXONOBYWJP-MROQNXINSA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000902448960 584605442 /nfs/dbraw/zinc/60/54/42/584605442.db2.gz KCZQUMPZARESTF-FRRDWIJNSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCCC[NH2+]1 ZINC000902454726 584608452 /nfs/dbraw/zinc/60/84/52/584608452.db2.gz UIQPQOBZIZAJEH-SRJSSNNKSA-N 2 1 236.359 1.282 20 0 BDADMP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000902454777 584609133 /nfs/dbraw/zinc/60/91/33/584609133.db2.gz VLCAVPLIYDBTMY-PDWLFKFUSA-N 2 1 234.343 1.036 20 0 BDADMP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470391 584616835 /nfs/dbraw/zinc/61/68/35/584616835.db2.gz WIEBLKPKJPFEFO-REWJHTLYSA-N 2 1 248.374 1.390 20 0 BDADMP O[C@@H](CC[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000902506669 584621877 /nfs/dbraw/zinc/62/18/77/584621877.db2.gz ZLBWNWLSYJLICU-STQMWFEESA-N 2 1 238.375 1.412 20 0 BDADMP C[C@@H]([NH2+]CC[C@H](O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000902506273 584621963 /nfs/dbraw/zinc/62/19/63/584621963.db2.gz XSNZBUXUHDPWSE-WXHSDQCUSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482992 584624311 /nfs/dbraw/zinc/62/43/11/584624311.db2.gz OIXGLFLVBRRJOE-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCCN1 ZINC000902484968 584624945 /nfs/dbraw/zinc/62/49/45/584624945.db2.gz XPWXGMULNIQTIL-OLZOCXBDSA-N 2 1 227.396 1.626 20 0 BDADMP C[C@H](CCCC[NH3+])NC[C@@H]1CCCCC[NH2+]1 ZINC000902484968 584624946 /nfs/dbraw/zinc/62/49/46/584624946.db2.gz XPWXGMULNIQTIL-OLZOCXBDSA-N 2 1 227.396 1.626 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000902487736 584626890 /nfs/dbraw/zinc/62/68/90/584626890.db2.gz LXASAWKBOPQVPJ-ZDEQEGDKSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000902487736 584626891 /nfs/dbraw/zinc/62/68/91/584626891.db2.gz LXASAWKBOPQVPJ-ZDEQEGDKSA-N 2 1 225.380 1.044 20 0 BDADMP Cc1ncccc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000902514664 584629712 /nfs/dbraw/zinc/62/97/12/584629712.db2.gz UGTULVIVCKNHQQ-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C/C=C\Cl ZINC000902518137 584630855 /nfs/dbraw/zinc/63/08/55/584630855.db2.gz KXCQDYQBPHESMJ-UPINEFLWSA-N 2 1 202.729 1.989 20 0 BDADMP Cc1cc(F)ncc1C[NH2+]CCc1c[nH+]cn1C ZINC000902621689 584645351 /nfs/dbraw/zinc/64/53/51/584645351.db2.gz OQIZMEGVDOYZIH-UHFFFAOYSA-N 2 1 248.305 1.595 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1OC ZINC000903067371 584723247 /nfs/dbraw/zinc/72/32/47/584723247.db2.gz SEORFMNHNWIYRG-STQMWFEESA-N 2 1 244.379 1.112 20 0 BDADMP CC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903201332 584735364 /nfs/dbraw/zinc/73/53/64/584735364.db2.gz XLAJNZPPFNETQX-ZHDCTAKOSA-N 2 1 238.375 1.505 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201822 584735618 /nfs/dbraw/zinc/73/56/18/584735618.db2.gz OLACNCNALWQVDC-FZMZJTMJSA-N 2 1 248.374 1.187 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201822 584735619 /nfs/dbraw/zinc/73/56/19/584735619.db2.gz OLACNCNALWQVDC-FZMZJTMJSA-N 2 1 248.374 1.187 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435103 584762033 /nfs/dbraw/zinc/76/20/33/584762033.db2.gz ONIXAKRXEYNOMV-NEPJUHHUSA-N 2 1 228.380 1.454 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000903442265 584767238 /nfs/dbraw/zinc/76/72/38/584767238.db2.gz MZAJTRRJQIARMH-RWMBFGLXSA-N 2 1 248.374 1.717 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903445065 584769743 /nfs/dbraw/zinc/76/97/43/584769743.db2.gz XRTTYKMIAIRAFR-BFHYXJOUSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC000903447050 584770743 /nfs/dbraw/zinc/77/07/43/584770743.db2.gz BSKUCECNUGBZSW-GFCCVEGCSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903447095 584770763 /nfs/dbraw/zinc/77/07/63/584770763.db2.gz DIYNWIOGCSPXKP-NGDQXYMTSA-N 2 1 244.329 1.947 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903449786 584771204 /nfs/dbraw/zinc/77/12/04/584771204.db2.gz GDPORDPTNUAXTP-XQQFMLRXSA-N 3 1 225.380 1.175 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903449785 584771573 /nfs/dbraw/zinc/77/15/73/584771573.db2.gz GDPORDPTNUAXTP-UPJWGTAASA-N 3 1 225.380 1.175 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903454394 584773207 /nfs/dbraw/zinc/77/32/07/584773207.db2.gz BIMBVPSJVNRTKE-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP CCSCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903467352 584774931 /nfs/dbraw/zinc/77/49/31/584774931.db2.gz AJPKPUPAUPUIOW-JTQLQIEISA-N 2 1 214.378 1.614 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000903476076 584776551 /nfs/dbraw/zinc/77/65/51/584776551.db2.gz MTELHJZPJZXFFH-GRYCIOLGSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000903476076 584776553 /nfs/dbraw/zinc/77/65/53/584776553.db2.gz MTELHJZPJZXFFH-GRYCIOLGSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000903476078 584776627 /nfs/dbraw/zinc/77/66/27/584776627.db2.gz MTELHJZPJZXFFH-QJPTWQEYSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000903476078 584776628 /nfs/dbraw/zinc/77/66/28/584776628.db2.gz MTELHJZPJZXFFH-QJPTWQEYSA-N 2 1 226.389 1.423 20 0 BDADMP CC(C)[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[N@H+]1C ZINC000903476383 584777683 /nfs/dbraw/zinc/77/76/83/584777683.db2.gz VQUMSNAYJKILPL-HZSPNIEDSA-N 2 1 239.407 1.114 20 0 BDADMP C(COCC1CC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483524 584779236 /nfs/dbraw/zinc/77/92/36/584779236.db2.gz INDUIQFWESEKEU-CYBMUJFWSA-N 2 1 238.375 1.677 20 0 BDADMP Cc1cnn(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484864 584779415 /nfs/dbraw/zinc/77/94/15/584779415.db2.gz XEMGMQHFKLLAMM-CYBMUJFWSA-N 2 1 248.374 1.456 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(N)c2)C[C@H]1CC[NH3+] ZINC000903498764 584780047 /nfs/dbraw/zinc/78/00/47/584780047.db2.gz DGBSSEYRGUXIKB-DGCLKSJQSA-N 2 1 233.359 1.686 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1CC[NH3+] ZINC000903500036 584780056 /nfs/dbraw/zinc/78/00/56/584780056.db2.gz RMTUOCDYCWXSCR-ZIAGYGMSSA-N 3 1 241.423 1.812 20 0 BDADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000903563548 584782235 /nfs/dbraw/zinc/78/22/35/584782235.db2.gz HLHPMLLOZBWZGM-GFCCVEGCSA-N 2 1 244.379 1.241 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903560057 584782460 /nfs/dbraw/zinc/78/24/60/584782460.db2.gz RWCGGMDKUCXKMK-DCAQKATOSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903560057 584782461 /nfs/dbraw/zinc/78/24/61/584782461.db2.gz RWCGGMDKUCXKMK-DCAQKATOSA-N 2 1 212.337 1.081 20 0 BDADMP CC1(C)C[N@@H+](CCCCCCC[NH3+])C[C@@H]1N ZINC000903558884 584783239 /nfs/dbraw/zinc/78/32/39/584783239.db2.gz SIFYUUAGYFDJRH-LBPRGKRZSA-N 3 1 227.396 1.565 20 0 BDADMP CC1(C)CN(CCCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000903558884 584783240 /nfs/dbraw/zinc/78/32/40/584783240.db2.gz SIFYUUAGYFDJRH-LBPRGKRZSA-N 3 1 227.396 1.565 20 0 BDADMP CC1(C)C[N@H+](CCCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000903558884 584783242 /nfs/dbraw/zinc/78/32/42/584783242.db2.gz SIFYUUAGYFDJRH-LBPRGKRZSA-N 3 1 227.396 1.565 20 0 BDADMP CC1(C)C[N@@H+](CCCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000903558884 584783244 /nfs/dbraw/zinc/78/32/44/584783244.db2.gz SIFYUUAGYFDJRH-LBPRGKRZSA-N 3 1 227.396 1.565 20 0 BDADMP CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000903716656 584791624 /nfs/dbraw/zinc/79/16/24/584791624.db2.gz AVNYHWROGJTWAJ-LOWVWBTDSA-N 2 1 242.363 1.149 20 0 BDADMP CCCC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718117 584792302 /nfs/dbraw/zinc/79/23/02/584792302.db2.gz ZYISPAVFQAOBOA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CC(C)C2)CCO1 ZINC000903716912 584792367 /nfs/dbraw/zinc/79/23/67/584792367.db2.gz DTXFZPIMLWGHGL-ADPBJBESSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CC(C)C2)CCO1 ZINC000903716912 584792368 /nfs/dbraw/zinc/79/23/68/584792368.db2.gz DTXFZPIMLWGHGL-ADPBJBESSA-N 2 1 212.337 1.081 20 0 BDADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000903717396 584792470 /nfs/dbraw/zinc/79/24/70/584792470.db2.gz QGHPRGYXDAQRPV-HSBZDZAISA-N 3 1 239.407 1.578 20 0 BDADMP CC1(C)CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730835 584792834 /nfs/dbraw/zinc/79/28/34/584792834.db2.gz ZXGZBPFEPUEUPH-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903712989 584793364 /nfs/dbraw/zinc/79/33/64/584793364.db2.gz CTWWRZKHXKLSIH-CPCZMJQVSA-N 2 1 210.365 1.964 20 0 BDADMP [NH3+]C1CC[NH+](CCOC2CCSCC2)CC1 ZINC000903713657 584793705 /nfs/dbraw/zinc/79/37/05/584793705.db2.gz YXSSNOQCZNGHRH-UHFFFAOYSA-N 2 1 244.404 1.322 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903712991 584793827 /nfs/dbraw/zinc/79/38/27/584793827.db2.gz CTWWRZKHXKLSIH-OTTFEQOBSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H]1CCCC[NH2+]C1 ZINC000903752432 584795378 /nfs/dbraw/zinc/79/53/78/584795378.db2.gz NVSLYWLYIMTIPO-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H]1CCCC[NH2+]C1 ZINC000903752430 584795747 /nfs/dbraw/zinc/79/57/47/584795747.db2.gz NVSLYWLYIMTIPO-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734086 584796341 /nfs/dbraw/zinc/79/63/41/584796341.db2.gz UYLQLMWGOYOFDU-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000903767137 584798146 /nfs/dbraw/zinc/79/81/46/584798146.db2.gz UQPKHBWTWJKSOT-MQYQWHSLSA-N 2 1 236.359 1.097 20 0 BDADMP Nc1cccc(C[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903800345 584801489 /nfs/dbraw/zinc/80/14/89/584801489.db2.gz GSMQHYLEHJVYBI-DZGCQCFKSA-N 2 1 245.370 1.972 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903800345 584801491 /nfs/dbraw/zinc/80/14/91/584801491.db2.gz GSMQHYLEHJVYBI-DZGCQCFKSA-N 2 1 245.370 1.972 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903825959 584804490 /nfs/dbraw/zinc/80/44/90/584804490.db2.gz GFRCQFQMPJOGHP-AAEUAGOBSA-N 2 1 240.416 1.813 20 0 BDADMP C[C@H]1CSCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903829354 584805751 /nfs/dbraw/zinc/80/57/51/584805751.db2.gz DOHXCEPKLSUFAC-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000903853082 584807970 /nfs/dbraw/zinc/80/79/70/584807970.db2.gz DIGSKRYYZMMGQJ-QWHCGFSZSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000903853082 584807973 /nfs/dbraw/zinc/80/79/73/584807973.db2.gz DIGSKRYYZMMGQJ-QWHCGFSZSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCCCF ZINC000903859002 584810861 /nfs/dbraw/zinc/81/08/61/584810861.db2.gz KTUKCXXGSAPRFK-VXGBXAGGSA-N 2 1 214.328 1.939 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCCCF ZINC000903859002 584810863 /nfs/dbraw/zinc/81/08/63/584810863.db2.gz KTUKCXXGSAPRFK-VXGBXAGGSA-N 2 1 214.328 1.939 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCc1ccncc1 ZINC000903859322 584811110 /nfs/dbraw/zinc/81/11/10/584811110.db2.gz MIAHNUDWXUYLIU-GJZGRUSLSA-N 2 1 245.370 1.827 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCc1ccncc1 ZINC000903859322 584811111 /nfs/dbraw/zinc/81/11/11/584811111.db2.gz MIAHNUDWXUYLIU-GJZGRUSLSA-N 2 1 245.370 1.827 20 0 BDADMP Cc1[nH+]ccn1CCCN1CCC[C@@]12CC[NH2+]C2 ZINC000903865239 584812770 /nfs/dbraw/zinc/81/27/70/584812770.db2.gz BMFGAFMELFVCSC-AWEZNQCLSA-N 2 1 248.374 1.410 20 0 BDADMP OC[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903888444 584813921 /nfs/dbraw/zinc/81/39/21/584813921.db2.gz CDOORBCKMIRLHM-GFCCVEGCSA-N 2 1 246.354 1.147 20 0 BDADMP COC[C@@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C(C)C ZINC000903869273 584814620 /nfs/dbraw/zinc/81/46/20/584814620.db2.gz FTKWEVVAULZXBN-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1CC1 ZINC000903870681 584814723 /nfs/dbraw/zinc/81/47/23/584814723.db2.gz PGTLPYJAQDNQPE-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CC1 ZINC000903870681 584814724 /nfs/dbraw/zinc/81/47/24/584814724.db2.gz PGTLPYJAQDNQPE-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872730 584815274 /nfs/dbraw/zinc/81/52/74/584815274.db2.gz AYNBZVPKVQCFFW-FJCXZIGKSA-N 3 1 237.391 1.186 20 0 BDADMP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903879657 584817350 /nfs/dbraw/zinc/81/73/50/584817350.db2.gz GPRRSHWYAHHHFW-GFCCVEGCSA-N 2 1 249.362 1.187 20 0 BDADMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903879657 584817352 /nfs/dbraw/zinc/81/73/52/584817352.db2.gz GPRRSHWYAHHHFW-GFCCVEGCSA-N 2 1 249.362 1.187 20 0 BDADMP Cc1cc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000903884132 584818258 /nfs/dbraw/zinc/81/82/58/584818258.db2.gz SLSZMSVOTNFVPU-YHWZYXNKSA-N 2 1 249.358 1.945 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903905376 584821292 /nfs/dbraw/zinc/82/12/92/584821292.db2.gz DDSLUXZEOVSUTI-ZJUUUORDSA-N 3 1 235.322 1.030 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903905376 584821293 /nfs/dbraw/zinc/82/12/93/584821293.db2.gz DDSLUXZEOVSUTI-ZJUUUORDSA-N 3 1 235.322 1.030 20 0 BDADMP N[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903905376 584821294 /nfs/dbraw/zinc/82/12/94/584821294.db2.gz DDSLUXZEOVSUTI-ZJUUUORDSA-N 2 1 235.322 1.030 20 0 BDADMP N[C@@H](CC(F)F)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903905376 584821295 /nfs/dbraw/zinc/82/12/95/584821295.db2.gz DDSLUXZEOVSUTI-ZJUUUORDSA-N 2 1 235.322 1.030 20 0 BDADMP C[N@@H+](CCCCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909306 584822099 /nfs/dbraw/zinc/82/20/99/584822099.db2.gz DSDXLPXVTJRGKI-YHWZYXNKSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903918609 584822348 /nfs/dbraw/zinc/82/23/48/584822348.db2.gz CQCGSQJZZWKEQF-BDAKNGLRSA-N 3 1 223.311 1.076 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC000903912207 584822707 /nfs/dbraw/zinc/82/27/07/584822707.db2.gz BNMFNYKFELLIAB-URSGVKGYSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C1CCOCC1 ZINC000903921834 584822859 /nfs/dbraw/zinc/82/28/59/584822859.db2.gz RDSOTIQXGXCSGF-WPRPVWTQSA-N 2 1 236.306 1.374 20 0 BDADMP [NH3+][C@H](C[NH2+]CCc1ccc(F)cc1)CC(F)F ZINC000903925639 584823659 /nfs/dbraw/zinc/82/36/59/584823659.db2.gz OYFWTOXCJIVEKD-NSHDSACASA-N 2 1 246.276 1.940 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903918144 584826799 /nfs/dbraw/zinc/82/67/99/584826799.db2.gz TUFWMQJHGSXUSJ-UHFFFAOYSA-N 3 1 233.359 1.159 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CN1 ZINC000903917955 584827053 /nfs/dbraw/zinc/82/70/53/584827053.db2.gz PFODJWTZDCXGRX-YJBUHQLJSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C[NH2+]1 ZINC000903917955 584827054 /nfs/dbraw/zinc/82/70/54/584827054.db2.gz PFODJWTZDCXGRX-YJBUHQLJSA-N 2 1 237.391 1.199 20 0 BDADMP Cn1ncc(Cl)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000903940141 584828855 /nfs/dbraw/zinc/82/88/55/584828855.db2.gz YMZKEZUTLOGLGS-UHFFFAOYSA-N 2 1 230.743 1.291 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955963 584832009 /nfs/dbraw/zinc/83/20/09/584832009.db2.gz DDTYMQYQDBCSMD-MXWKQRLJSA-N 3 1 247.333 1.091 20 0 BDADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964595 584834082 /nfs/dbraw/zinc/83/40/82/584834082.db2.gz RBPPTAPYCYOQDR-JTNHKYCSSA-N 2 1 236.334 1.954 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H](N)C(C)(C)C2)CC[NH2+]1 ZINC000903987036 584835592 /nfs/dbraw/zinc/83/55/92/584835592.db2.gz XBBQLRXBOXQKLX-WOPDTQHZSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[C@@H](CN2C[C@H]([NH3+])C(C)(C)C2)CC[NH2+]1 ZINC000903987036 584835593 /nfs/dbraw/zinc/83/55/93/584835593.db2.gz XBBQLRXBOXQKLX-WOPDTQHZSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904299487 584860659 /nfs/dbraw/zinc/86/06/59/584860659.db2.gz FQGOJEYBISLBHM-WFASDCNBSA-N 3 1 247.386 1.847 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904299487 584860661 /nfs/dbraw/zinc/86/06/61/584860661.db2.gz FQGOJEYBISLBHM-WFASDCNBSA-N 3 1 247.386 1.847 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299708 584860902 /nfs/dbraw/zinc/86/09/02/584860902.db2.gz MDDHFADAUOGDAY-WFASDCNBSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904300827 584861347 /nfs/dbraw/zinc/86/13/47/584861347.db2.gz BURZKLFXYDKOCF-AVGNSLFASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904300827 584861348 /nfs/dbraw/zinc/86/13/48/584861348.db2.gz BURZKLFXYDKOCF-AVGNSLFASA-N 3 1 225.380 1.045 20 0 BDADMP Cn1cccc1[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303738 584862180 /nfs/dbraw/zinc/86/21/80/584862180.db2.gz FNZPQWABDYDEPZ-SCRDCRAPSA-N 2 1 233.359 1.899 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000904315987 584862657 /nfs/dbraw/zinc/86/26/57/584862657.db2.gz HVKVHQMBFPLALB-TUAOUCFPSA-N 2 1 234.347 1.674 20 0 BDADMP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311867 584862737 /nfs/dbraw/zinc/86/27/37/584862737.db2.gz JJVREEKKBMRNFL-YUELXQCFSA-N 2 1 248.370 1.607 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](CO)C1 ZINC000904315993 584862935 /nfs/dbraw/zinc/86/29/35/584862935.db2.gz IEPYXLCTGQZQMY-NWDGAFQWSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@H](CO)C1 ZINC000904315993 584862937 /nfs/dbraw/zinc/86/29/37/584862937.db2.gz IEPYXLCTGQZQMY-NWDGAFQWSA-N 2 1 228.380 1.454 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2CN2CCCC2)C1 ZINC000904313876 584863527 /nfs/dbraw/zinc/86/35/27/584863527.db2.gz MJZFEOMUBBNGDX-MJBXVCDLSA-N 2 1 237.391 1.284 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904318887 584863978 /nfs/dbraw/zinc/86/39/78/584863978.db2.gz YTQFBCJJIJZMCV-PHIMTYICSA-N 2 1 214.353 1.064 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321824 584864613 /nfs/dbraw/zinc/86/46/13/584864613.db2.gz HMEBNCMIXVOEAI-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H](O)CC[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904321678 584864831 /nfs/dbraw/zinc/86/48/31/584864831.db2.gz BQAKHUNKLBROSF-NWDGAFQWSA-N 2 1 230.396 1.843 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904321678 584864832 /nfs/dbraw/zinc/86/48/32/584864832.db2.gz BQAKHUNKLBROSF-NWDGAFQWSA-N 2 1 230.396 1.843 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1n1ccnc1 ZINC000904327957 584865281 /nfs/dbraw/zinc/86/52/81/584865281.db2.gz JZQQUUAIOHJIHO-IGQOVBAYSA-N 2 1 248.374 1.503 20 0 BDADMP Cn1cc(C[C@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cn1 ZINC000904326352 584865499 /nfs/dbraw/zinc/86/54/99/584865499.db2.gz HLIJQCLOTUKSIP-BZPMIXESSA-N 2 1 248.374 1.022 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904332576 584865760 /nfs/dbraw/zinc/86/57/60/584865760.db2.gz RXDDVOLJUBRIDT-RWMBFGLXSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCC[C@H]1O ZINC000904328566 584866160 /nfs/dbraw/zinc/86/61/60/584866160.db2.gz GXHDIDZPQFNPIG-WUHRBBMRSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904330749 584866248 /nfs/dbraw/zinc/86/62/48/584866248.db2.gz BHQCWPGBTOXVQQ-GMXVVIOVSA-N 2 1 219.332 1.812 20 0 BDADMP CCN1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340718 584866385 /nfs/dbraw/zinc/86/63/85/584866385.db2.gz LBRPMFXUJSDWOR-QNWHQSFQSA-N 2 1 225.380 1.138 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1Cc2ccccc2C1 ZINC000904335928 584866427 /nfs/dbraw/zinc/86/64/27/584866427.db2.gz JRMNZVQJILAOCM-VDISTLRHSA-N 2 1 230.355 1.823 20 0 BDADMP CC[N@@H+](CCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904342224 584867110 /nfs/dbraw/zinc/86/71/10/584867110.db2.gz ZUPWXHIIBDNIDX-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)[C@H]1CO ZINC000904341774 584867397 /nfs/dbraw/zinc/86/73/97/584867397.db2.gz VUXOFVRSZGRCBV-AGIUHOORSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)[C@H]1CO ZINC000904341774 584867398 /nfs/dbraw/zinc/86/73/98/584867398.db2.gz VUXOFVRSZGRCBV-AGIUHOORSA-N 2 1 242.407 1.843 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340916 584867411 /nfs/dbraw/zinc/86/74/11/584867411.db2.gz NVXSRQIGLXFUIF-IGQOVBAYSA-N 3 1 239.407 1.528 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340916 584867412 /nfs/dbraw/zinc/86/74/12/584867412.db2.gz NVXSRQIGLXFUIF-IGQOVBAYSA-N 3 1 239.407 1.528 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340916 584867414 /nfs/dbraw/zinc/86/74/14/584867414.db2.gz NVXSRQIGLXFUIF-IGQOVBAYSA-N 3 1 239.407 1.528 20 0 BDADMP CCN1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340916 584867416 /nfs/dbraw/zinc/86/74/16/584867416.db2.gz NVXSRQIGLXFUIF-IGQOVBAYSA-N 2 1 239.407 1.528 20 0 BDADMP CCN1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340916 584867418 /nfs/dbraw/zinc/86/74/18/584867418.db2.gz NVXSRQIGLXFUIF-IGQOVBAYSA-N 2 1 239.407 1.528 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOCC3(CCC3)C2)C1 ZINC000904346550 584868507 /nfs/dbraw/zinc/86/85/07/584868507.db2.gz TVZLIDDNMRPKTL-TXEJJXNPSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000904350503 584868817 /nfs/dbraw/zinc/86/88/17/584868817.db2.gz NKSUELOLIBTYFN-MQYQWHSLSA-N 3 1 237.391 1.045 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904351418 584869284 /nfs/dbraw/zinc/86/92/84/584869284.db2.gz YBVMZIVWWGECTP-OAHLLOKOSA-N 3 1 247.386 1.849 20 0 BDADMP CC(C)C[C@@H](CN)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904352771 584869922 /nfs/dbraw/zinc/86/99/22/584869922.db2.gz AEGKTXPKQHKHCG-AWEZNQCLSA-N 2 1 235.375 1.608 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904352771 584869923 /nfs/dbraw/zinc/86/99/23/584869923.db2.gz AEGKTXPKQHKHCG-AWEZNQCLSA-N 3 1 235.375 1.608 20 0 BDADMP CC1(NCc2ccc(C[NH3+])cc2)CC[NH2+]CC1 ZINC000904354538 584870365 /nfs/dbraw/zinc/87/03/65/584870365.db2.gz BTVDMABOKDYSPA-UHFFFAOYSA-N 2 1 233.359 1.377 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000904355476 584871204 /nfs/dbraw/zinc/87/12/04/584871204.db2.gz ODQFXRSJFKURAQ-RISCZKNCSA-N 2 1 233.359 1.233 20 0 BDADMP [NH3+]Cc1ccc(CN[C@H](C[NH3+])C2CCCC2)cc1 ZINC000904359018 584871686 /nfs/dbraw/zinc/87/16/86/584871686.db2.gz WALULMGLSLCLTF-OAHLLOKOSA-N 2 1 247.386 1.752 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000904359018 584871687 /nfs/dbraw/zinc/87/16/87/584871687.db2.gz WALULMGLSLCLTF-OAHLLOKOSA-N 3 1 247.386 1.752 20 0 BDADMP [NH3+]Cc1ccc(CNCCC[NH2+]C2CC2)cc1 ZINC000904359066 584871715 /nfs/dbraw/zinc/87/17/15/584871715.db2.gz XYMYGWXFRUGSPP-UHFFFAOYSA-N 2 1 233.359 1.377 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904372220 584873108 /nfs/dbraw/zinc/87/31/08/584873108.db2.gz ZSSIOLDTMIPQMQ-SWLSCSKDSA-N 3 1 247.386 1.562 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNC[C@H]2c2ccccc2)C1 ZINC000904371678 584873474 /nfs/dbraw/zinc/87/34/74/584873474.db2.gz QVCUMFFZMGSYIT-CFVMTHIKSA-N 2 1 245.370 1.370 20 0 BDADMP [NH3+][C@H]1C[C@@H](CN2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC000904371678 584873475 /nfs/dbraw/zinc/87/34/75/584873475.db2.gz QVCUMFFZMGSYIT-CFVMTHIKSA-N 2 1 245.370 1.370 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904373552 584873998 /nfs/dbraw/zinc/87/39/98/584873998.db2.gz SYNLNTRVAVDNEE-MLGHIDQZSA-N 3 1 225.380 1.029 20 0 BDADMP CC(C)(C)CC[C@@H](N)C[NH2+]CCC1(C[NH3+])CC1 ZINC000904375891 584875576 /nfs/dbraw/zinc/87/55/76/584875576.db2.gz JROVKGTTZCMMRG-GFCCVEGCSA-N 2 1 241.423 1.859 20 0 BDADMP CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)Cc2cccnc21 ZINC000904383825 584877081 /nfs/dbraw/zinc/87/70/81/584877081.db2.gz FFWNQDVWKXPGPY-BJHJDKERSA-N 2 1 246.358 1.071 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904385483 584877688 /nfs/dbraw/zinc/87/76/88/584877688.db2.gz ZDPHAKPJPNITJW-MBNYWOFBSA-N 2 1 239.407 1.421 20 0 BDADMP CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904385483 584877689 /nfs/dbraw/zinc/87/76/89/584877689.db2.gz ZDPHAKPJPNITJW-MBNYWOFBSA-N 2 1 239.407 1.421 20 0 BDADMP CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904385483 584877690 /nfs/dbraw/zinc/87/76/90/584877690.db2.gz ZDPHAKPJPNITJW-MBNYWOFBSA-N 2 1 239.407 1.421 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CC[NH3+])C2)CC[NH2+]1 ZINC000904407106 584878391 /nfs/dbraw/zinc/87/83/91/584878391.db2.gz NITMXAUTXWEEQC-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1CC[NH3+] ZINC000904388201 584878402 /nfs/dbraw/zinc/87/84/02/584878402.db2.gz GEXSGPZSKFVZHV-IUODEOHRSA-N 3 1 247.386 1.562 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000904407093 584878410 /nfs/dbraw/zinc/87/84/10/584878410.db2.gz NFZDDIYYZJNECI-NSHDSACASA-N 2 1 207.321 1.196 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC000904410551 584878897 /nfs/dbraw/zinc/87/88/97/584878897.db2.gz HJZBBNQLASQRGS-JQWIXIFHSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@@H]1C[NH3+] ZINC000904410923 584879209 /nfs/dbraw/zinc/87/92/09/584879209.db2.gz RSKDDXOKMPUQJV-GRYCIOLGSA-N 2 1 228.405 1.656 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000904410233 584879212 /nfs/dbraw/zinc/87/92/12/584879212.db2.gz MUUJLJBOKGZTPL-DGAVXFQQSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1C[NH3+] ZINC000904410917 584879384 /nfs/dbraw/zinc/87/93/84/584879384.db2.gz RSEHBIOTRIALNU-DOMZBBRYSA-N 3 1 247.386 1.562 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncs2)CC[C@@H]1C[NH3+] ZINC000904412570 584879820 /nfs/dbraw/zinc/87/98/20/584879820.db2.gz WMYBOELXWBZKAJ-VHSXEESVSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCCCCC[NH3+] ZINC000842476777 584897837 /nfs/dbraw/zinc/89/78/37/584897837.db2.gz VKKKLURAHUVXHN-MCIONIFRSA-N 3 1 241.423 1.872 20 0 BDADMP C[C@@H]1CC[C@@H](C)C1[NH2+]CCc1c[nH+]cn1C ZINC000838989527 585084665 /nfs/dbraw/zinc/08/46/65/585084665.db2.gz VREDVSYIOARVHV-GHMZBOCLSA-N 2 1 221.348 1.987 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCCCCO)C1 ZINC000743847422 585140865 /nfs/dbraw/zinc/14/08/65/585140865.db2.gz CHDVMPHPFSSBPK-AWEZNQCLSA-N 2 1 242.407 1.813 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000886838394 585182476 /nfs/dbraw/zinc/18/24/76/585182476.db2.gz WTLODZFEVIKEBD-ZOBORPQBSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000886838394 585182477 /nfs/dbraw/zinc/18/24/77/585182477.db2.gz WTLODZFEVIKEBD-ZOBORPQBSA-N 2 1 236.359 1.097 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCF)C1 ZINC000759347555 585370425 /nfs/dbraw/zinc/37/04/25/585370425.db2.gz QETYOFVRWKNXQL-GFCCVEGCSA-N 2 1 232.343 1.389 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000766271874 585500297 /nfs/dbraw/zinc/50/02/97/585500297.db2.gz GTDXRIDGWBNNEH-MCIONIFRSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1CCC[NH+]1CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000766271874 585500298 /nfs/dbraw/zinc/50/02/98/585500298.db2.gz GTDXRIDGWBNNEH-MCIONIFRSA-N 2 1 239.407 1.543 20 0 BDADMP O=C(CC[N@H+]1CCC[C@H](n2ccnc2)C1)C1CC1 ZINC000767371369 585518199 /nfs/dbraw/zinc/51/81/99/585518199.db2.gz VVFBIKVBQJBCMP-ZDUSSCGKSA-N 2 1 247.342 1.889 20 0 BDADMP C[C@@H]1C[C@@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000770460186 585574242 /nfs/dbraw/zinc/57/42/42/585574242.db2.gz DADVOKGFGBNZNO-MNOVXSKESA-N 2 1 249.362 1.437 20 0 BDADMP C[C@@H]1C[C@@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@H+]1C ZINC000770460186 585574243 /nfs/dbraw/zinc/57/42/43/585574243.db2.gz DADVOKGFGBNZNO-MNOVXSKESA-N 2 1 249.362 1.437 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000779339786 585751639 /nfs/dbraw/zinc/75/16/39/585751639.db2.gz FCIBATHNCVSOFC-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)CCO)[NH+]1CCCC1 ZINC000779344271 585752286 /nfs/dbraw/zinc/75/22/86/585752286.db2.gz UPGYTCFARHABQH-NWDGAFQWSA-N 2 1 214.353 1.221 20 0 BDADMP CN(C)c1cc[nH+]c(NCC2CC[NH+](C)CC2)n1 ZINC000784145626 585851565 /nfs/dbraw/zinc/85/15/65/585851565.db2.gz CWWNZQZSPDLAMN-UHFFFAOYSA-N 2 1 249.362 1.296 20 0 BDADMP CC(C)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000786672815 585896004 /nfs/dbraw/zinc/89/60/04/585896004.db2.gz YFEAINLAZCLVBP-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000786672815 585896005 /nfs/dbraw/zinc/89/60/05/585896005.db2.gz YFEAINLAZCLVBP-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000788471070 585925199 /nfs/dbraw/zinc/92/51/99/585925199.db2.gz SSKLKAVAPQUZJZ-RYUDHWBXSA-N 2 1 226.364 1.437 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000790756467 585968170 /nfs/dbraw/zinc/96/81/70/585968170.db2.gz QAVZZEGYXOVYJC-PWSUYJOCSA-N 2 1 240.347 1.012 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000795118122 586068670 /nfs/dbraw/zinc/06/86/70/586068670.db2.gz ZXTFSQIWYMOOPD-LLVKDONJSA-N 2 1 205.305 1.612 20 0 BDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCO)cc1 ZINC000799739015 586195583 /nfs/dbraw/zinc/19/55/83/586195583.db2.gz GXDDHHZXJHJDNR-UHFFFAOYSA-N 2 1 236.359 1.562 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCC=CO1 ZINC000809750407 586516923 /nfs/dbraw/zinc/51/69/23/586516923.db2.gz UUJWINRZADHKBW-ZDUSSCGKSA-N 2 1 226.364 1.953 20 0 BDADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817888942 586832151 /nfs/dbraw/zinc/83/21/51/586832151.db2.gz LZSNYQAYZSWOGH-MGPQQGTHSA-N 2 1 234.343 1.498 20 0 BDADMP Cc1ncc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000817915181 586832267 /nfs/dbraw/zinc/83/22/67/586832267.db2.gz IIGOXGBNXYQYFI-JOYOIKCWSA-N 2 1 239.388 1.582 20 0 BDADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817888940 586832304 /nfs/dbraw/zinc/83/23/04/586832304.db2.gz LZSNYQAYZSWOGH-HZSPNIEDSA-N 2 1 234.343 1.498 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000817911428 586838426 /nfs/dbraw/zinc/83/84/26/586838426.db2.gz AHFBMIXKWBTMEG-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000817911428 586838428 /nfs/dbraw/zinc/83/84/28/586838428.db2.gz AHFBMIXKWBTMEG-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP c1n[nH]c2c1[C@@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000817941241 586845310 /nfs/dbraw/zinc/84/53/10/586845310.db2.gz OHIDQWNLQSIFQQ-LBPRGKRZSA-N 2 1 234.347 1.376 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000817940377 586845676 /nfs/dbraw/zinc/84/56/76/586845676.db2.gz MEFVUQBQNFYATN-SECBINFHSA-N 2 1 227.739 1.995 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccnc1Cl ZINC000817962218 586853294 /nfs/dbraw/zinc/85/32/94/586853294.db2.gz JFYIYTYKKOWOCE-RKDXNWHRSA-N 2 1 227.739 1.980 20 0 BDADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000817971668 586859786 /nfs/dbraw/zinc/85/97/86/586859786.db2.gz OSIXPWZSUNVTBT-MFKMUULPSA-N 2 1 204.317 1.919 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)CCO2 ZINC000817976803 586860532 /nfs/dbraw/zinc/86/05/32/586860532.db2.gz UPEHDKGXSOLDSD-GCVYGYKWSA-N 2 1 244.338 1.490 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000818615949 586907198 /nfs/dbraw/zinc/90/71/98/586907198.db2.gz RVWQYAKDJOIHRV-NQBHXWOUSA-N 2 1 234.347 1.647 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000818615950 586907337 /nfs/dbraw/zinc/90/73/37/586907337.db2.gz RVWQYAKDJOIHRV-NTZNESFSSA-N 2 1 234.347 1.647 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)C1CC1 ZINC000818965446 586918483 /nfs/dbraw/zinc/91/84/83/586918483.db2.gz IEIFBIRDDCQBOP-GXFFZTMASA-N 2 1 237.347 1.188 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818984905 586919247 /nfs/dbraw/zinc/91/92/47/586919247.db2.gz MUABTTZSSVDASO-TZMCWYRMSA-N 2 1 240.391 1.467 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818981217 586920152 /nfs/dbraw/zinc/92/01/52/586920152.db2.gz STIIILNIMOIQIB-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCCC1 ZINC000823184285 587207173 /nfs/dbraw/zinc/20/71/73/587207173.db2.gz CSQGPBYNYWNEIT-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP CC[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCCC1 ZINC000823199979 587208181 /nfs/dbraw/zinc/20/81/81/587208181.db2.gz LOWIUDUJBNGUHP-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP C[C@]1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1(Cl)Cl ZINC000827457981 587381812 /nfs/dbraw/zinc/38/18/12/587381812.db2.gz NFTMKZOODURWOB-OPRDCNLKSA-N 2 1 249.185 1.722 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH3+] ZINC000834340779 587752572 /nfs/dbraw/zinc/75/25/72/587752572.db2.gz CMKKPNVPKOZSTK-GFCCVEGCSA-N 2 1 243.395 1.210 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](C)CN1 ZINC000842473911 588029397 /nfs/dbraw/zinc/02/93/97/588029397.db2.gz RZFMULWJROFSMV-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]1CN(CCCCCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000842473911 588029399 /nfs/dbraw/zinc/02/93/99/588029399.db2.gz RZFMULWJROFSMV-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP OCCCCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843345321 588102161 /nfs/dbraw/zinc/10/21/61/588102161.db2.gz AFOXNPMQMKXTOT-UHFFFAOYSA-N 2 1 240.391 1.756 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843355678 588103404 /nfs/dbraw/zinc/10/34/04/588103404.db2.gz SXZUGHHDPJBJJC-IYXRBSQSSA-N 3 1 239.407 1.578 20 0 BDADMP Cc1cc([C@H]2CCC[N@@H+]2CCOCC[NH3+])no1 ZINC000843356986 588103761 /nfs/dbraw/zinc/10/37/61/588103761.db2.gz LYHFNYWXMBWZRN-GFCCVEGCSA-N 2 1 239.319 1.095 20 0 BDADMP Cc1cc([C@H]2CCC[N@H+]2CCOCC[NH3+])no1 ZINC000843356986 588103763 /nfs/dbraw/zinc/10/37/63/588103763.db2.gz LYHFNYWXMBWZRN-GFCCVEGCSA-N 2 1 239.319 1.095 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843364526 588104433 /nfs/dbraw/zinc/10/44/33/588104433.db2.gz LMYAGVVSKFQNJB-CHWSQXEVSA-N 3 1 227.396 1.565 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000843360233 588104657 /nfs/dbraw/zinc/10/46/57/588104657.db2.gz IEYDTBFRQWNBGT-RLAWYHOSSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC[C@H]1CC[NH2+]C1 ZINC000843360233 588104659 /nfs/dbraw/zinc/10/46/59/588104659.db2.gz IEYDTBFRQWNBGT-RLAWYHOSSA-N 2 1 237.391 1.330 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843378079 588105915 /nfs/dbraw/zinc/10/59/15/588105915.db2.gz ZBQDXGJVARFLTL-KBPBESRZSA-N 3 1 241.423 1.955 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000846220727 588260071 /nfs/dbraw/zinc/26/00/71/588260071.db2.gz OESUAGRDWREXLZ-LBPRGKRZSA-N 2 1 237.351 1.044 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846217693 588260308 /nfs/dbraw/zinc/26/03/08/588260308.db2.gz MBFKBOITGVYJKN-LBPRGKRZSA-N 3 1 213.369 1.189 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846217693 588260309 /nfs/dbraw/zinc/26/03/09/588260309.db2.gz MBFKBOITGVYJKN-LBPRGKRZSA-N 3 1 213.369 1.189 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217967 588260339 /nfs/dbraw/zinc/26/03/39/588260339.db2.gz PPGDIKDSEQDOLZ-QWHCGFSZSA-N 2 1 227.396 1.565 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846220806 588261174 /nfs/dbraw/zinc/26/11/74/588261174.db2.gz VFBBNUKNPVROSP-CHWSQXEVSA-N 2 1 227.396 1.565 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000846221123 588261219 /nfs/dbraw/zinc/26/12/19/588261219.db2.gz SUDDXSUDPZQCSN-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000846221123 588261220 /nfs/dbraw/zinc/26/12/20/588261220.db2.gz SUDDXSUDPZQCSN-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846220807 588261486 /nfs/dbraw/zinc/26/14/86/588261486.db2.gz VFBBNUKNPVROSP-OLZOCXBDSA-N 2 1 227.396 1.565 20 0 BDADMP Cl/C=C\C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000846223740 588261573 /nfs/dbraw/zinc/26/15/73/588261573.db2.gz NELBQXRVSGJNFF-KTAJNNJTSA-N 2 1 200.713 1.567 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846223047 588261602 /nfs/dbraw/zinc/26/16/02/588261602.db2.gz GMGQTPGXVTVPIE-CHWSQXEVSA-N 3 1 227.396 1.422 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000848981012 588423516 /nfs/dbraw/zinc/42/35/16/588423516.db2.gz VCHSIAXICASTTD-MNOVXSKESA-N 2 1 226.368 1.383 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000848999201 588429825 /nfs/dbraw/zinc/42/98/25/588429825.db2.gz CGEWSZZEWBPISC-JTQLQIEISA-N 2 1 226.368 1.383 20 0 BDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N(C)C ZINC000848999143 588430054 /nfs/dbraw/zinc/43/00/54/588430054.db2.gz XAJDMEFLIINYRF-LBPRGKRZSA-N 2 1 240.395 1.727 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@H+]1CC ZINC000849005994 588432752 /nfs/dbraw/zinc/43/27/52/588432752.db2.gz JLJQHRHXPLZBGF-VXGBXAGGSA-N 2 1 240.395 1.773 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])NC1CCC1)C1CCCC1 ZINC000849006297 588433042 /nfs/dbraw/zinc/43/30/42/588433042.db2.gz TYMWAPMLPYCQNZ-UHFFFAOYSA-N 2 1 238.379 1.527 20 0 BDADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N1CCC1 ZINC000849009662 588434280 /nfs/dbraw/zinc/43/42/80/588434280.db2.gz RDEHINASBBPHST-UHFFFAOYSA-N 2 1 235.335 1.202 20 0 BDADMP CCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000849012717 588435964 /nfs/dbraw/zinc/43/59/64/588435964.db2.gz VCMLBRTUSGUEPN-LLVKDONJSA-N 2 1 226.368 1.098 20 0 BDADMP CCc1cccc(NC(=[NH2+])NCC[NH+]2CCC2)c1 ZINC000849014654 588436264 /nfs/dbraw/zinc/43/62/64/588436264.db2.gz KBNCCFFAQWNLRY-UHFFFAOYSA-N 2 1 246.358 1.891 20 0 BDADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849041609 588447910 /nfs/dbraw/zinc/44/79/10/588447910.db2.gz SORZNUYUWFINQQ-LLVKDONJSA-N 2 1 240.395 1.631 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852750171 588700232 /nfs/dbraw/zinc/70/02/32/588700232.db2.gz XJDCTDSLOYMHNQ-GHMZBOCLSA-N 2 1 248.317 1.547 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC000852774786 588702013 /nfs/dbraw/zinc/70/20/13/588702013.db2.gz ZFWFTWXKBNSFQE-CHWSQXEVSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000863545890 589297651 /nfs/dbraw/zinc/29/76/51/589297651.db2.gz ARKIMTZARHBDJW-ZDUSSCGKSA-N 2 1 227.396 1.435 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC000863545890 589297652 /nfs/dbraw/zinc/29/76/52/589297652.db2.gz ARKIMTZARHBDJW-ZDUSSCGKSA-N 2 1 227.396 1.435 20 0 BDADMP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C[NH2+]1 ZINC000863546556 589298172 /nfs/dbraw/zinc/29/81/72/589298172.db2.gz KXKKPTNEXGBQGB-GWOFURMSSA-N 2 1 244.429 1.318 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C12CCC2 ZINC000864055654 589336322 /nfs/dbraw/zinc/33/63/22/589336322.db2.gz VEIPYSCCMRDTJV-NWDGAFQWSA-N 2 1 235.306 1.580 20 0 BDADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000864465675 589370818 /nfs/dbraw/zinc/37/08/18/589370818.db2.gz BLBTWITYUYJNLT-QWRGUYRKSA-N 2 1 238.379 1.383 20 0 BDADMP C[C@@H](C[N@H+](CC[NH3+])CCO)CC(C)(C)C ZINC000866660799 589508205 /nfs/dbraw/zinc/50/82/05/589508205.db2.gz LZELSTVULNYUEW-LLVKDONJSA-N 2 1 216.369 1.312 20 0 BDADMP C[C@@H](C[N@@H+](CC[NH3+])CCO)CC(C)(C)C ZINC000866660799 589508206 /nfs/dbraw/zinc/50/82/06/589508206.db2.gz LZELSTVULNYUEW-LLVKDONJSA-N 2 1 216.369 1.312 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660757 589508231 /nfs/dbraw/zinc/50/82/31/589508231.db2.gz KWFKEOHWLIOYBW-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC1SCCS1 ZINC000866681692 589511509 /nfs/dbraw/zinc/51/15/09/589511509.db2.gz BAENJWUGIOVOJL-BDAKNGLRSA-N 2 1 232.418 1.604 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC1SCCS1 ZINC000866681692 589511510 /nfs/dbraw/zinc/51/15/10/589511510.db2.gz BAENJWUGIOVOJL-BDAKNGLRSA-N 2 1 232.418 1.604 20 0 BDADMP CO[C@@H](C[N@H+]1CC[NH2+]CCC1(C)C)C1CCC1 ZINC000866697711 589512750 /nfs/dbraw/zinc/51/27/50/589512750.db2.gz WHRFYIPKZGQJSP-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866703723 589513307 /nfs/dbraw/zinc/51/33/07/589513307.db2.gz LABWXYJXPTWWAE-OLZOCXBDSA-N 2 1 240.416 1.671 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866704724 589513639 /nfs/dbraw/zinc/51/36/39/589513639.db2.gz XFGPXCBIHMDSDR-GXTWGEPZSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866704724 589513640 /nfs/dbraw/zinc/51/36/40/589513640.db2.gz XFGPXCBIHMDSDR-GXTWGEPZSA-N 3 1 239.407 1.293 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722929 589515184 /nfs/dbraw/zinc/51/51/84/589515184.db2.gz ASYKBOZIJORAKR-IHRRRGAJSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722929 589515185 /nfs/dbraw/zinc/51/51/85/589515185.db2.gz ASYKBOZIJORAKR-IHRRRGAJSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C1CC[NH2+]CC1 ZINC000866724128 589516024 /nfs/dbraw/zinc/51/60/24/589516024.db2.gz INEYSXRDZHVCIA-KGLIPLIRSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C1CC[NH2+]CC1 ZINC000866724128 589516025 /nfs/dbraw/zinc/51/60/25/589516025.db2.gz INEYSXRDZHVCIA-KGLIPLIRSA-N 3 1 237.391 1.202 20 0 BDADMP Cn1c[nH+]cc1CCCN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866724262 589516048 /nfs/dbraw/zinc/51/60/48/589516048.db2.gz MKPAMYANHADQQX-KBPBESRZSA-N 2 1 248.374 1.179 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)CC ZINC000872032981 589857348 /nfs/dbraw/zinc/85/73/48/589857348.db2.gz DPYGRVIMDAVLAY-NWDGAFQWSA-N 2 1 230.396 1.713 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CC1(C)C ZINC000872127494 589877337 /nfs/dbraw/zinc/87/73/37/589877337.db2.gz VDNAIYLQWCFVNO-SRVKXCTJSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000872145633 589884082 /nfs/dbraw/zinc/88/40/82/589884082.db2.gz VQEFOMCMSSXLKX-NEPJUHHUSA-N 2 1 240.391 1.909 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C1 ZINC000872144502 589884106 /nfs/dbraw/zinc/88/41/06/589884106.db2.gz GROWSIUVZMLSAB-OUAUKWLOSA-N 2 1 214.353 1.374 20 0 BDADMP NCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157556 589885932 /nfs/dbraw/zinc/88/59/32/589885932.db2.gz PPCXTHRXTKRYHE-TZMCWYRMSA-N 2 1 239.407 1.565 20 0 BDADMP NCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157556 589885934 /nfs/dbraw/zinc/88/59/34/589885934.db2.gz PPCXTHRXTKRYHE-TZMCWYRMSA-N 2 1 239.407 1.565 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212163 589995968 /nfs/dbraw/zinc/99/59/68/589995968.db2.gz IWRPARWEMQEEAI-SNVBAGLBSA-N 3 1 239.388 1.221 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000873221887 589999442 /nfs/dbraw/zinc/99/94/42/589999442.db2.gz SGFOUOFLESPWNQ-NEPJUHHUSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000873221887 589999444 /nfs/dbraw/zinc/99/94/44/589999444.db2.gz SGFOUOFLESPWNQ-NEPJUHHUSA-N 2 1 228.380 1.453 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CC[NH2+]C(C)(C)C)CC[C@H]21 ZINC000873222055 589999785 /nfs/dbraw/zinc/99/97/85/589999785.db2.gz YCVJGNOOXVYPEZ-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)CCCCCC[NH3+] ZINC000873231594 590003050 /nfs/dbraw/zinc/00/30/50/590003050.db2.gz QOMUCGXVKPMLFC-ZDUSSCGKSA-N 3 1 229.412 1.668 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCOC1 ZINC000873234559 590004228 /nfs/dbraw/zinc/00/42/28/590004228.db2.gz GNTUYUOADFEBQQ-RWMBFGLXSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CCC[NH2+]1 ZINC000873238544 590006135 /nfs/dbraw/zinc/00/61/35/590006135.db2.gz BFYUXSUGYATYJI-CLSQCYNNSA-N 2 1 236.359 1.140 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000873248482 590006933 /nfs/dbraw/zinc/00/69/33/590006933.db2.gz BJMZCZRMJCKUKG-NDKCEZKHSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000873248482 590006936 /nfs/dbraw/zinc/00/69/36/590006936.db2.gz BJMZCZRMJCKUKG-NDKCEZKHSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1N)C1CC[NH2+]CC1 ZINC000873273275 590016834 /nfs/dbraw/zinc/01/68/34/590016834.db2.gz ZVTDNEHBOZBISJ-IACUBPJLSA-N 2 1 239.407 1.624 20 0 BDADMP Nc1cc(F)cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000873291080 590023480 /nfs/dbraw/zinc/02/34/80/590023480.db2.gz UCLMVXWUEDWVNA-NEPJUHHUSA-N 2 1 223.295 1.377 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC000873297093 590024889 /nfs/dbraw/zinc/02/48/89/590024889.db2.gz RBZYTERIFSPTSB-SLEUVZQESA-N 2 1 247.386 1.416 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC2OCCO2)CC[N@@H+]1C ZINC000124550071 590050232 /nfs/dbraw/zinc/05/02/32/590050232.db2.gz YQPUMNZRBBAQOD-VXGBXAGGSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC2OCCO2)CC[N@H+]1C ZINC000124550071 590050236 /nfs/dbraw/zinc/05/02/36/590050236.db2.gz YQPUMNZRBBAQOD-VXGBXAGGSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCC2OCCO2)CC[NH+]1C ZINC000124550071 590050237 /nfs/dbraw/zinc/05/02/37/590050237.db2.gz YQPUMNZRBBAQOD-VXGBXAGGSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2OCCO2)CC[NH+]1C ZINC000124550071 590050240 /nfs/dbraw/zinc/05/02/40/590050240.db2.gz YQPUMNZRBBAQOD-VXGBXAGGSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000020205680 590084456 /nfs/dbraw/zinc/08/44/56/590084456.db2.gz OJMJQMCWGQMBJD-JQWIXIFHSA-N 2 1 212.337 1.238 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCCO)[C@H](C)C1 ZINC000126225637 590254959 /nfs/dbraw/zinc/25/49/59/590254959.db2.gz QCAFRSAZADTSRW-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000877153041 590292782 /nfs/dbraw/zinc/29/27/82/590292782.db2.gz DUUBBIJMFAVSMV-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@H]1CCC[N@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000877153041 590292784 /nfs/dbraw/zinc/29/27/84/590292784.db2.gz DUUBBIJMFAVSMV-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(C)CC3)CC[C@@H]21 ZINC000877738226 590405233 /nfs/dbraw/zinc/40/52/33/590405233.db2.gz ASHHRMGHGYPETP-NEPJUHHUSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(C)CC3)CC[C@@H]21 ZINC000877738226 590405234 /nfs/dbraw/zinc/40/52/34/590405234.db2.gz ASHHRMGHGYPETP-NEPJUHHUSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(C)CC3)CC[C@@H]21 ZINC000877738226 590405237 /nfs/dbraw/zinc/40/52/37/590405237.db2.gz ASHHRMGHGYPETP-NEPJUHHUSA-N 2 1 208.349 1.813 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877740206 590407393 /nfs/dbraw/zinc/40/73/93/590407393.db2.gz IZOTUOQDRZLJHV-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877740206 590407394 /nfs/dbraw/zinc/40/73/94/590407394.db2.gz IZOTUOQDRZLJHV-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740206 590407396 /nfs/dbraw/zinc/40/73/96/590407396.db2.gz IZOTUOQDRZLJHV-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740206 590407398 /nfs/dbraw/zinc/40/73/98/590407398.db2.gz IZOTUOQDRZLJHV-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP FCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748306 590618222 /nfs/dbraw/zinc/61/82/22/590618222.db2.gz VDZYNBKUGVRUFJ-UHFFFAOYSA-N 2 1 223.295 1.563 20 0 BDADMP CCOCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573623 590808804 /nfs/dbraw/zinc/80/88/04/590808804.db2.gz ZUJNZIZAEMVUJO-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573623 590808807 /nfs/dbraw/zinc/80/88/07/590808807.db2.gz ZUJNZIZAEMVUJO-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573623 590808810 /nfs/dbraw/zinc/80/88/10/590808810.db2.gz ZUJNZIZAEMVUJO-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573623 590808812 /nfs/dbraw/zinc/80/88/12/590808812.db2.gz ZUJNZIZAEMVUJO-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571793 590810996 /nfs/dbraw/zinc/81/09/96/590810996.db2.gz CCOHGODYLZOPPE-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571793 590811001 /nfs/dbraw/zinc/81/10/01/590811001.db2.gz CCOHGODYLZOPPE-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879571793 590811005 /nfs/dbraw/zinc/81/10/05/590811005.db2.gz CCOHGODYLZOPPE-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571793 590811008 /nfs/dbraw/zinc/81/10/08/590811008.db2.gz CCOHGODYLZOPPE-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCCO)CC[C@H]21 ZINC000879573828 590812762 /nfs/dbraw/zinc/81/27/62/590812762.db2.gz SGVWLLHBMVPAEY-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCCO)CC[C@H]21 ZINC000879573828 590812765 /nfs/dbraw/zinc/81/27/65/590812765.db2.gz SGVWLLHBMVPAEY-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCCO)CC[C@H]21 ZINC000879573828 590812767 /nfs/dbraw/zinc/81/27/67/590812767.db2.gz SGVWLLHBMVPAEY-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCCO)CC[C@H]21 ZINC000879573828 590812770 /nfs/dbraw/zinc/81/27/70/590812770.db2.gz SGVWLLHBMVPAEY-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[Si](C)(C)C)CC[C@@H]21 ZINC000879573794 590814989 /nfs/dbraw/zinc/81/49/89/590814989.db2.gz RQVHPTOFXJPRHP-NEPJUHHUSA-N 2 1 226.440 1.890 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000879573794 590814992 /nfs/dbraw/zinc/81/49/92/590814992.db2.gz RQVHPTOFXJPRHP-NEPJUHHUSA-N 2 1 226.440 1.890 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000879573794 590814995 /nfs/dbraw/zinc/81/49/95/590814995.db2.gz RQVHPTOFXJPRHP-NEPJUHHUSA-N 2 1 226.440 1.890 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879579491 590818643 /nfs/dbraw/zinc/81/86/43/590818643.db2.gz MQQDZMBFEOIGNO-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879579491 590818646 /nfs/dbraw/zinc/81/86/46/590818646.db2.gz MQQDZMBFEOIGNO-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000879579491 590818648 /nfs/dbraw/zinc/81/86/48/590818648.db2.gz MQQDZMBFEOIGNO-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000879579491 590818650 /nfs/dbraw/zinc/81/86/50/590818650.db2.gz MQQDZMBFEOIGNO-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580865 590820659 /nfs/dbraw/zinc/82/06/59/590820659.db2.gz VDCBAHXXZBFNKK-HZSPNIEDSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580865 590820662 /nfs/dbraw/zinc/82/06/62/590820662.db2.gz VDCBAHXXZBFNKK-HZSPNIEDSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580865 590820664 /nfs/dbraw/zinc/82/06/64/590820664.db2.gz VDCBAHXXZBFNKK-HZSPNIEDSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582099 590820808 /nfs/dbraw/zinc/82/08/08/590820808.db2.gz PPTXXAIQEPKVIL-YNEHKIRRSA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582099 590820810 /nfs/dbraw/zinc/82/08/10/590820810.db2.gz PPTXXAIQEPKVIL-YNEHKIRRSA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582099 590820812 /nfs/dbraw/zinc/82/08/12/590820812.db2.gz PPTXXAIQEPKVIL-YNEHKIRRSA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582096 590821612 /nfs/dbraw/zinc/82/16/12/590821612.db2.gz PPTXXAIQEPKVIL-FRRDWIJNSA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582096 590821614 /nfs/dbraw/zinc/82/16/14/590821614.db2.gz PPTXXAIQEPKVIL-FRRDWIJNSA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582096 590821617 /nfs/dbraw/zinc/82/16/17/590821617.db2.gz PPTXXAIQEPKVIL-FRRDWIJNSA-N 2 1 226.364 1.029 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CF)C1 ZINC000880297220 590990346 /nfs/dbraw/zinc/99/03/46/590990346.db2.gz KXMIQQDFWBVRRX-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](CF)C1 ZINC000880297220 590990348 /nfs/dbraw/zinc/99/03/48/590990348.db2.gz KXMIQQDFWBVRRX-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](CF)C1 ZINC000880297220 590990353 /nfs/dbraw/zinc/99/03/53/590990353.db2.gz KXMIQQDFWBVRRX-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1[C@@H](C)CC[C@H]1CO ZINC000880440008 591042126 /nfs/dbraw/zinc/04/21/26/591042126.db2.gz PULLFHYQXRQGDE-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473477 591053981 /nfs/dbraw/zinc/05/39/81/591053981.db2.gz FOEBCXAHCWNCMM-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CCC(CC)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128566035 591125899 /nfs/dbraw/zinc/12/58/99/591125899.db2.gz GCDNVHKIWDKVGR-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H](C)C(C)(C)CO ZINC000925206886 636383677 /nfs/dbraw/zinc/38/36/77/636383677.db2.gz VBZWLZLOIWFMAD-GFCCVEGCSA-N 2 1 230.396 1.715 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)C(C)(C)CO ZINC000925206886 636383682 /nfs/dbraw/zinc/38/36/82/636383682.db2.gz VBZWLZLOIWFMAD-GFCCVEGCSA-N 2 1 230.396 1.715 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@H](O)C[NH3+] ZINC000883430107 591661493 /nfs/dbraw/zinc/66/14/93/591661493.db2.gz NHOZWILPWWWEAR-VHSXEESVSA-N 2 1 236.306 1.063 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000883442652 591669437 /nfs/dbraw/zinc/66/94/37/591669437.db2.gz PPYUCSMWJURXDX-UWVGGRQHSA-N 2 1 239.750 1.950 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000883442922 591669622 /nfs/dbraw/zinc/66/96/22/591669622.db2.gz VZJLSUWDAUBOLH-NXEZZACHSA-N 2 1 239.750 1.950 20 0 BDADMP C[C@@]1(c2ccccc2)CCC[N@H+]1CCOCC[NH3+] ZINC000883460081 591673766 /nfs/dbraw/zinc/67/37/66/591673766.db2.gz OPWIOXWLSSVKDK-HNNXBMFYSA-N 2 1 248.370 1.973 20 0 BDADMP [NH3+]CCOCC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000883461743 591674409 /nfs/dbraw/zinc/67/44/09/591674409.db2.gz BZHFOZIXTRWLTL-WFASDCNBSA-N 2 1 246.354 1.896 20 0 BDADMP CCCNc1cc(NC[C@H](C)[NH+](C)C)nc[nH+]1 ZINC000132221665 591694097 /nfs/dbraw/zinc/69/40/97/591694097.db2.gz CNTMXGGXOSSRHC-JTQLQIEISA-N 2 1 237.351 1.661 20 0 BDADMP CC[S@@](=O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000133511512 591809796 /nfs/dbraw/zinc/80/97/96/591809796.db2.gz FWGZJAAFOXGJLT-INIZCTEOSA-N 2 1 246.420 1.217 20 0 BDADMP COC(CN(C)CC[C@@H]1CCCC[N@H+]1C)OC ZINC000136774751 592150929 /nfs/dbraw/zinc/15/09/29/592150929.db2.gz HTXJAOAQTCBMQI-LBPRGKRZSA-N 2 1 244.379 1.412 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215883 592177978 /nfs/dbraw/zinc/17/79/78/592177978.db2.gz SLNMWNNUTQRBOH-VXGBXAGGSA-N 2 1 248.317 1.030 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215883 592177979 /nfs/dbraw/zinc/17/79/79/592177979.db2.gz SLNMWNNUTQRBOH-VXGBXAGGSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215883 592177981 /nfs/dbraw/zinc/17/79/81/592177981.db2.gz SLNMWNNUTQRBOH-VXGBXAGGSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215883 592177983 /nfs/dbraw/zinc/17/79/83/592177983.db2.gz SLNMWNNUTQRBOH-VXGBXAGGSA-N 2 1 248.317 1.030 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000219375397 592222963 /nfs/dbraw/zinc/22/29/63/592222963.db2.gz VBDQQSSJLNPTGJ-CYBMUJFWSA-N 2 1 226.364 1.999 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1[NH3+] ZINC000886829437 592352261 /nfs/dbraw/zinc/35/22/61/592352261.db2.gz AFSBHTZEDXHHDU-XQHKEYJVSA-N 2 1 224.348 1.082 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886837323 592358815 /nfs/dbraw/zinc/35/88/15/592358815.db2.gz FCYAUPCVXIOWLR-ZOBORPQBSA-N 2 1 238.375 1.472 20 0 BDADMP C(C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1)[C@H]1CC[NH2+]C1 ZINC000886859948 592372809 /nfs/dbraw/zinc/37/28/09/592372809.db2.gz LNPSLCCICXHDMP-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874641 592376442 /nfs/dbraw/zinc/37/64/42/592376442.db2.gz SIDOQJDNAPOJML-CQSZACIVSA-N 2 1 248.374 1.386 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874641 592376445 /nfs/dbraw/zinc/37/64/45/592376445.db2.gz SIDOQJDNAPOJML-CQSZACIVSA-N 2 1 248.374 1.386 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874640 592377027 /nfs/dbraw/zinc/37/70/27/592377027.db2.gz SIDOQJDNAPOJML-AWEZNQCLSA-N 2 1 248.374 1.386 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874640 592377031 /nfs/dbraw/zinc/37/70/31/592377031.db2.gz SIDOQJDNAPOJML-AWEZNQCLSA-N 2 1 248.374 1.386 20 0 BDADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCO ZINC000887133289 592449563 /nfs/dbraw/zinc/44/95/63/592449563.db2.gz YDHCOFQNSQSCGI-ZDUSSCGKSA-N 2 1 249.358 1.365 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300214503 592504752 /nfs/dbraw/zinc/50/47/52/592504752.db2.gz JTEKQHHQMKMMCJ-UPJWGTAASA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](C)CO1 ZINC000223223072 592522073 /nfs/dbraw/zinc/52/20/73/592522073.db2.gz ZNXHJOOTSDQJRU-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@H]1CC[N@@H+](CC(C)(C)O)CC[C@@H]1C[NH3+] ZINC001246024160 987302930 /nfs/dbraw/zinc/30/29/30/987302930.db2.gz QRGMLDSVUXOEHB-WDEREUQCSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)O1 ZINC000925710593 634408973 /nfs/dbraw/zinc/40/89/73/634408973.db2.gz QDUWIABUJIWACL-UPJWGTAASA-N 2 1 238.375 1.818 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ncc[nH]1 ZINC000124668726 634431470 /nfs/dbraw/zinc/43/14/70/634431470.db2.gz AEDQEIQPDFPNOU-LPEHRKFASA-N 2 1 208.309 1.330 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000124778119 634432897 /nfs/dbraw/zinc/43/28/97/634432897.db2.gz BJUMLZLOGXTPAN-ZDUSSCGKSA-N 2 1 226.364 1.365 20 0 BDADMP C([C@@H]1CCOC1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257687940 634462407 /nfs/dbraw/zinc/46/24/07/634462407.db2.gz MSEHDPXMNMKDSJ-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257687940 634462412 /nfs/dbraw/zinc/46/24/12/634462412.db2.gz MSEHDPXMNMKDSJ-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP Cn1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257691075 634466909 /nfs/dbraw/zinc/46/69/09/634466909.db2.gz NOFFZBWKGAURJB-UHFFFAOYSA-N 2 1 233.359 1.601 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727988 634527366 /nfs/dbraw/zinc/52/73/66/634527366.db2.gz RTNKCPZLAWUPGK-HPCHECBXSA-N 3 1 237.391 1.247 20 0 BDADMP CC(C)[N@@H+]1CCC[C@H]1c1nc(CC[NH3+])no1 ZINC000258098174 634565449 /nfs/dbraw/zinc/56/54/49/634565449.db2.gz RXLYLJPMEPPSQO-VIFPVBQESA-N 2 1 224.308 1.116 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]1c1nc(CC[NH3+])no1 ZINC000258098174 634565461 /nfs/dbraw/zinc/56/54/61/634565461.db2.gz RXLYLJPMEPPSQO-VIFPVBQESA-N 2 1 224.308 1.116 20 0 BDADMP C1CC1[C@@H]1OCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925821788 635399783 /nfs/dbraw/zinc/39/97/83/635399783.db2.gz JCOFDISILCIDSH-QEASNPOISA-N 2 1 248.370 1.140 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000227539416 635451581 /nfs/dbraw/zinc/45/15/81/635451581.db2.gz FSGVHGZVTFPSMO-ZLKJLUDKSA-N 2 1 231.343 1.425 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000925857958 635549725 /nfs/dbraw/zinc/54/97/25/635549725.db2.gz NWPZRBXKIRNNGN-QWRGUYRKSA-N 2 1 237.347 1.696 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000925877947 635602087 /nfs/dbraw/zinc/60/20/87/635602087.db2.gz ZNJQHOXJUUXDNW-CRWXNKLISA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000925877947 635602091 /nfs/dbraw/zinc/60/20/91/635602091.db2.gz ZNJQHOXJUUXDNW-CRWXNKLISA-N 2 1 239.407 1.434 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925881801 635610173 /nfs/dbraw/zinc/61/01/73/635610173.db2.gz UZMVDSGIBBQFHH-RNJOBUHISA-N 2 1 208.349 1.764 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000083527339 631426396 /nfs/dbraw/zinc/42/63/96/631426396.db2.gz GWISWGPXPDECLT-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCO1 ZINC000083527339 631426401 /nfs/dbraw/zinc/42/64/01/631426401.db2.gz GWISWGPXPDECLT-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCCn3ccnc3)C[C@]2(C)C1 ZINC000933736654 631497741 /nfs/dbraw/zinc/49/77/41/631497741.db2.gz ZWCANKNCCFZQPF-KGLIPLIRSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCn3ccnc3)C[C@]2(C)C1 ZINC000933736654 631497745 /nfs/dbraw/zinc/49/77/45/631497745.db2.gz ZWCANKNCCFZQPF-KGLIPLIRSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCn3ccnc3)C[C@]2(C)C1 ZINC000933736654 631497749 /nfs/dbraw/zinc/49/77/49/631497749.db2.gz ZWCANKNCCFZQPF-KGLIPLIRSA-N 2 1 248.374 1.157 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[Si](C)(C)C)C[C@]2(C)C1 ZINC000933740898 631498340 /nfs/dbraw/zinc/49/83/40/631498340.db2.gz PARMNAYFVSEATG-NEPJUHHUSA-N 2 1 226.440 1.747 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[Si](C)(C)C)C[C@]2(C)C1 ZINC000933740898 631498354 /nfs/dbraw/zinc/49/83/54/631498354.db2.gz PARMNAYFVSEATG-NEPJUHHUSA-N 2 1 226.440 1.747 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[Si](C)(C)C)C[C@]2(C)C1 ZINC000933740898 631498367 /nfs/dbraw/zinc/49/83/67/631498367.db2.gz PARMNAYFVSEATG-NEPJUHHUSA-N 2 1 226.440 1.747 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[Si](C)(C)C)C[C@]2(C)C1 ZINC000933740898 631498379 /nfs/dbraw/zinc/49/83/79/631498379.db2.gz PARMNAYFVSEATG-NEPJUHHUSA-N 2 1 226.440 1.747 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCSC[C@H]1C ZINC000934297554 631763759 /nfs/dbraw/zinc/76/37/59/631763759.db2.gz HRJWCXBBSVNOKE-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCSC[C@H]1C ZINC000934297554 631763762 /nfs/dbraw/zinc/76/37/62/631763762.db2.gz HRJWCXBBSVNOKE-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCSC[C@H]1C ZINC000934297554 631763766 /nfs/dbraw/zinc/76/37/66/631763766.db2.gz HRJWCXBBSVNOKE-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CCC[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056088 631832471 /nfs/dbraw/zinc/83/24/71/631832471.db2.gz BKHSZXGZPGVZHT-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056088 631832477 /nfs/dbraw/zinc/83/24/77/631832477.db2.gz BKHSZXGZPGVZHT-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056086 631832569 /nfs/dbraw/zinc/83/25/69/631832569.db2.gz BKHSZXGZPGVZHT-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056086 631832571 /nfs/dbraw/zinc/83/25/71/631832571.db2.gz BKHSZXGZPGVZHT-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849012723 631935930 /nfs/dbraw/zinc/93/59/30/631935930.db2.gz VLUHDODCPSTOEM-GFCCVEGCSA-N 2 1 238.379 1.194 20 0 BDADMP C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122299633 632059014 /nfs/dbraw/zinc/05/90/14/632059014.db2.gz BIPSYPDTMOIWKU-UONOGXRCSA-N 2 1 248.370 1.982 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250452400 635697575 /nfs/dbraw/zinc/69/75/75/635697575.db2.gz GNNHKDZEOAWYER-IGQOVBAYSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250452400 635697579 /nfs/dbraw/zinc/69/75/79/635697579.db2.gz GNNHKDZEOAWYER-IGQOVBAYSA-N 2 1 238.375 1.770 20 0 BDADMP C1=CC[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000309495278 632417068 /nfs/dbraw/zinc/41/70/68/632417068.db2.gz JWOHJGDPVZIDQR-MELADBBJSA-N 2 1 220.360 1.884 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCO ZINC000308927499 632471002 /nfs/dbraw/zinc/47/10/02/632471002.db2.gz INMFQEUGEJQAMW-VXGBXAGGSA-N 2 1 216.369 1.467 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCO ZINC000308927499 632471009 /nfs/dbraw/zinc/47/10/09/632471009.db2.gz INMFQEUGEJQAMW-VXGBXAGGSA-N 2 1 216.369 1.467 20 0 BDADMP C[N@@H+](CCC[NH3+])CCc1ccc2c(c1)OCO2 ZINC000034436616 632596737 /nfs/dbraw/zinc/59/67/37/632596737.db2.gz DXISLICMJSDMHP-UHFFFAOYSA-N 2 1 236.315 1.238 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000091996066 632775653 /nfs/dbraw/zinc/77/56/53/632775653.db2.gz MCOGEGLCRCBZBR-NSHDSACASA-N 2 1 235.331 1.266 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000926796179 633081491 /nfs/dbraw/zinc/08/14/91/633081491.db2.gz BZWLFSQVNSBSDJ-SJWJCTCFSA-N 2 1 248.292 1.867 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000306999923 635978900 /nfs/dbraw/zinc/97/89/00/635978900.db2.gz ABNLTJMCCOHVHZ-HBNTYKKESA-N 2 1 214.378 1.612 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000232673069 636021414 /nfs/dbraw/zinc/02/14/14/636021414.db2.gz ODQIBPBVVCZBJQ-STQMWFEESA-N 2 1 228.380 1.576 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1nccn1C ZINC000665282725 636102566 /nfs/dbraw/zinc/10/25/66/636102566.db2.gz ALBODNKLNUBFJG-IVZWLZJFSA-N 2 1 210.325 1.197 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328546026 633773882 /nfs/dbraw/zinc/77/38/82/633773882.db2.gz NHNBUTJCHWHBFB-MZHQWRCYSA-N 2 1 249.402 1.057 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCC1SCCS1 ZINC000853023350 633796665 /nfs/dbraw/zinc/79/66/65/633796665.db2.gz UPEAMPKHYCYMOH-SNVBAGLBSA-N 2 1 246.445 1.866 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCC1SCCS1 ZINC000853023350 633796670 /nfs/dbraw/zinc/79/66/70/633796670.db2.gz UPEAMPKHYCYMOH-SNVBAGLBSA-N 2 1 246.445 1.866 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000309396779 633907436 /nfs/dbraw/zinc/90/74/36/633907436.db2.gz ILUYTEDGPYRZAY-MDZLAQPJSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309396779 633907438 /nfs/dbraw/zinc/90/74/38/633907438.db2.gz ILUYTEDGPYRZAY-MDZLAQPJSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccncc1 ZINC000925541076 633956223 /nfs/dbraw/zinc/95/62/23/633956223.db2.gz HHMKQDTXXXVCPR-BZPMIXESSA-N 2 1 233.359 1.915 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000310039925 634103301 /nfs/dbraw/zinc/10/33/01/634103301.db2.gz XKUWHMBOVVVNDC-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000310039925 634103304 /nfs/dbraw/zinc/10/33/04/634103304.db2.gz XKUWHMBOVVVNDC-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925611121 634150344 /nfs/dbraw/zinc/15/03/44/634150344.db2.gz KIPBZLOMYFYFBO-NEPJUHHUSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925614400 634156112 /nfs/dbraw/zinc/15/61/12/634156112.db2.gz YAFHNZIVPCYKDZ-QWHCGFSZSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccc1O ZINC000925615658 634158154 /nfs/dbraw/zinc/15/81/54/634158154.db2.gz HHEHGIRMTKRREL-WCQYABFASA-N 2 1 234.343 1.665 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925618990 634172866 /nfs/dbraw/zinc/17/28/66/634172866.db2.gz YXILXJYXLNBMPW-LBPRGKRZSA-N 2 1 240.391 1.802 20 0 BDADMP CN(C[C@@H]1CCC[N@H+]1C)C[C@@]1(C)CCC[NH2+]C1 ZINC000092633414 634197512 /nfs/dbraw/zinc/19/75/12/634197512.db2.gz JWXFMNCSCJZUAF-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925675251 634260658 /nfs/dbraw/zinc/26/06/58/634260658.db2.gz MPAQEFNXKPKYSG-WDEREUQCSA-N 2 1 212.337 1.142 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925681944 634282035 /nfs/dbraw/zinc/28/20/35/634282035.db2.gz ZFIOFQNJQQPWON-GHMZBOCLSA-N 2 1 214.353 1.532 20 0 BDADMP C[NH2+]CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925687762 634304322 /nfs/dbraw/zinc/30/43/22/634304322.db2.gz AVYINTQJRMJZIS-KGLIPLIRSA-N 3 1 239.407 1.354 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925698136 634362095 /nfs/dbraw/zinc/36/20/95/634362095.db2.gz CFIAJVIQEIOQRL-IRCOFANPSA-N 2 1 212.337 1.128 20 0 BDADMP C[C@@H](N)[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1 ZINC000925700101 634368193 /nfs/dbraw/zinc/36/81/93/634368193.db2.gz RKVDCXYMUSOXJW-DOMZBBRYSA-N 2 1 245.370 1.584 20 0 BDADMP [NH3+]CCC[C@H](NCC1([NH3+])CCC1)c1ccccc1 ZINC000925700624 634370955 /nfs/dbraw/zinc/37/09/55/634370955.db2.gz WAGJXYOMLAVZEK-AWEZNQCLSA-N 2 1 247.386 1.938 20 0 BDADMP NC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000925700624 634370960 /nfs/dbraw/zinc/37/09/60/634370960.db2.gz WAGJXYOMLAVZEK-AWEZNQCLSA-N 2 1 247.386 1.938 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@@H](NCC(F)(F)C[NH3+])C1 ZINC000925700872 634372451 /nfs/dbraw/zinc/37/24/51/634372451.db2.gz XCTUDMVSQOCTQT-DTWKUNHWSA-N 2 1 235.322 1.076 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C[C@H]1OC ZINC000925780866 635272929 /nfs/dbraw/zinc/27/29/29/635272929.db2.gz BSVYUAGILODHHT-FDYHWXHSSA-N 2 1 240.391 1.778 20 0 BDADMP C[NH+]1CCC(CN2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000094449186 635347286 /nfs/dbraw/zinc/34/72/86/635347286.db2.gz NUCIEAGIRDMPPP-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@@H]1OCC[C@@H]1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580872 635867764 /nfs/dbraw/zinc/86/77/64/635867764.db2.gz VGYDEOXNBWNGFS-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580872 635867768 /nfs/dbraw/zinc/86/77/68/635867768.db2.gz VGYDEOXNBWNGFS-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580872 635867770 /nfs/dbraw/zinc/86/77/70/635867770.db2.gz VGYDEOXNBWNGFS-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580872 635867775 /nfs/dbraw/zinc/86/77/75/635867775.db2.gz VGYDEOXNBWNGFS-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580872 635867779 /nfs/dbraw/zinc/86/77/79/635867779.db2.gz VGYDEOXNBWNGFS-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864455908 636763627 /nfs/dbraw/zinc/76/36/27/636763627.db2.gz ATNBRVGVCDYDNS-GARJFASQSA-N 2 1 226.368 1.239 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621485 636825320 /nfs/dbraw/zinc/82/53/20/636825320.db2.gz CZNVCFBVHKBOKL-FRRDWIJNSA-N 2 1 226.364 1.152 20 0 BDADMP COC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621485 636825323 /nfs/dbraw/zinc/82/53/23/636825323.db2.gz CZNVCFBVHKBOKL-FRRDWIJNSA-N 2 1 226.364 1.152 20 0 BDADMP COC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621485 636825325 /nfs/dbraw/zinc/82/53/25/636825325.db2.gz CZNVCFBVHKBOKL-FRRDWIJNSA-N 2 1 226.364 1.152 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccnn1C ZINC000322819752 636881861 /nfs/dbraw/zinc/88/18/61/636881861.db2.gz BXDYBPXCWJJUKZ-ODWCKFRGSA-N 2 1 248.374 1.696 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnn1C ZINC000322819752 636881864 /nfs/dbraw/zinc/88/18/64/636881864.db2.gz BXDYBPXCWJJUKZ-ODWCKFRGSA-N 2 1 248.374 1.696 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000866704334 636933872 /nfs/dbraw/zinc/93/38/72/636933872.db2.gz SSVYOGQFPQVMEW-VXGBXAGGSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)OCCC[NH+](C)C ZINC000923887989 636962572 /nfs/dbraw/zinc/96/25/72/636962572.db2.gz KDUBVCRGFVGXHS-GFCCVEGCSA-N 2 1 242.363 1.354 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)C[NH+](C)C ZINC000926960867 636972954 /nfs/dbraw/zinc/97/29/54/636972954.db2.gz NNAVWDGLXFLQEM-XQQFMLRXSA-N 2 1 244.379 1.110 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)[C@@H](C)CC)C[NH+](C)C ZINC000926962461 636973284 /nfs/dbraw/zinc/97/32/84/636973284.db2.gz MLIINZPZHMMNQI-RWMBFGLXSA-N 2 1 230.396 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)CC)C[NH+](C)C ZINC000926966845 636976587 /nfs/dbraw/zinc/97/65/87/636976587.db2.gz YKHREESUFGYTPX-WDEREUQCSA-N 2 1 202.342 1.341 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)C(C)C)C[NH+](C)C ZINC000926967072 636978680 /nfs/dbraw/zinc/97/86/80/636978680.db2.gz ZQWMAZNRAJSRRV-NWDGAFQWSA-N 2 1 216.369 1.587 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000903529219 637368525 /nfs/dbraw/zinc/36/85/25/637368525.db2.gz PTXNBFSZQSMZJH-ZDUSSCGKSA-N 3 1 227.396 1.579 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000903529219 637368532 /nfs/dbraw/zinc/36/85/32/637368532.db2.gz PTXNBFSZQSMZJH-ZDUSSCGKSA-N 3 1 227.396 1.579 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903566381 637371710 /nfs/dbraw/zinc/37/17/10/637371710.db2.gz RNTSZUHWKKTMRR-DGCLKSJQSA-N 2 1 234.347 1.167 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903566381 637371717 /nfs/dbraw/zinc/37/17/17/637371717.db2.gz RNTSZUHWKKTMRR-DGCLKSJQSA-N 2 1 234.347 1.167 20 0 BDADMP CCCC[N@@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719079 637376925 /nfs/dbraw/zinc/37/69/25/637376925.db2.gz VARZPXGGQFDFOA-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000903722110 637380234 /nfs/dbraw/zinc/38/02/34/637380234.db2.gz HEUQIPQHDWKWPX-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP O[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1F ZINC000903841590 637385291 /nfs/dbraw/zinc/38/52/91/637385291.db2.gz YJHJBEJYKIRYSM-CHWSQXEVSA-N 2 1 244.354 1.171 20 0 BDADMP COc1ccccc1/C=C/C[NH2+]CC1([NH3+])CC1 ZINC000904450210 637416551 /nfs/dbraw/zinc/41/65/51/637416551.db2.gz OZLBAVGSSUPICJ-GQCTYLIASA-N 2 1 232.327 1.789 20 0 BDADMP COc1ccccc1/C=C\C[NH2+]CC1([NH3+])CC1 ZINC000904450212 637417250 /nfs/dbraw/zinc/41/72/50/637417250.db2.gz OZLBAVGSSUPICJ-XQRVVYSFSA-N 2 1 232.327 1.789 20 0 BDADMP Cc1ccc(C[NH2+]CC2([NH3+])CC2)cc1F ZINC000904450292 637417425 /nfs/dbraw/zinc/41/74/25/637417425.db2.gz QWBMLMZJUKKAFK-UHFFFAOYSA-N 2 1 208.280 1.715 20 0 BDADMP CCNCc1noc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000904495793 637422713 /nfs/dbraw/zinc/42/27/13/637422713.db2.gz XMDVWBONCAJMLM-JTQLQIEISA-N 2 1 238.335 1.724 20 0 BDADMP CCNCc1noc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000904495793 637422721 /nfs/dbraw/zinc/42/27/21/637422721.db2.gz XMDVWBONCAJMLM-JTQLQIEISA-N 2 1 238.335 1.724 20 0 BDADMP CC(C)[N@H+](C)Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000905059895 637593120 /nfs/dbraw/zinc/59/31/20/637593120.db2.gz YEQNUJLSQQWWSD-GFCCVEGCSA-N 2 1 237.351 1.043 20 0 BDADMP CC(C)[N@@H+](C)Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000905059895 637593124 /nfs/dbraw/zinc/59/31/24/637593124.db2.gz YEQNUJLSQQWWSD-GFCCVEGCSA-N 2 1 237.351 1.043 20 0 BDADMP C[C@H]([NH2+]C[C@@](C)(O)C(F)F)C1=CC[N@@H+](C)CC1 ZINC000905202201 637694551 /nfs/dbraw/zinc/69/45/51/637694551.db2.gz GFVBYGGXPDCHNF-JOYOIKCWSA-N 2 1 248.317 1.243 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])CC2CC2)n1 ZINC000905305883 637764236 /nfs/dbraw/zinc/76/42/36/637764236.db2.gz YSULRDSHQYOZDH-APPZFPTMSA-N 2 1 224.308 1.020 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@H]([NH3+])CC2CC2)n1 ZINC000905305886 637764484 /nfs/dbraw/zinc/76/44/84/637764484.db2.gz YSULRDSHQYOZDH-VXNVDRBHSA-N 2 1 224.308 1.020 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C[C@](C)(O)C(F)F ZINC000905870269 637956438 /nfs/dbraw/zinc/95/64/38/637956438.db2.gz GNXMQRYQVVXBAI-NSHDSACASA-N 2 1 238.322 1.324 20 0 BDADMP COc1ccc(OC)c(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906508005 638179352 /nfs/dbraw/zinc/17/93/52/638179352.db2.gz GXORIOPDJYKURJ-UHFFFAOYSA-N 2 1 236.315 1.283 20 0 BDADMP Cc1cccc2ncc(C[NH2+]C3CC([NH3+])C3)n21 ZINC000906510708 638183881 /nfs/dbraw/zinc/18/38/81/638183881.db2.gz ROSLGRYAGDISLG-UHFFFAOYSA-N 2 1 230.315 1.222 20 0 BDADMP COC/C(C)=C\C[N@H+](C)CCC[NH+]1CCCC1 ZINC000930310072 639695225 /nfs/dbraw/zinc/69/52/25/639695225.db2.gz ALHGRYIZBKRAFL-AUWJEWJLSA-N 2 1 240.391 1.997 20 0 BDADMP COC/C(C)=C\C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000930310072 639695232 /nfs/dbraw/zinc/69/52/32/639695232.db2.gz ALHGRYIZBKRAFL-AUWJEWJLSA-N 2 1 240.391 1.997 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)CCOC1CC1 ZINC000930310748 639695649 /nfs/dbraw/zinc/69/56/49/639695649.db2.gz NSMXONAYTWBQPW-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCOC1CC1 ZINC000930310748 639695655 /nfs/dbraw/zinc/69/56/55/639695655.db2.gz NSMXONAYTWBQPW-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOC3CC3)C2)C1 ZINC000930575766 639812904 /nfs/dbraw/zinc/81/29/04/639812904.db2.gz DOXHTRDVDXRMLF-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000911843940 639838281 /nfs/dbraw/zinc/83/82/81/639838281.db2.gz CFVAXJPSVGISGB-JTQLQIEISA-N 2 1 247.342 1.739 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931277343 640131025 /nfs/dbraw/zinc/13/10/25/640131025.db2.gz JPDJUKBOERBJOS-BJJPWKGXSA-N 2 1 238.375 1.293 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931277343 640131030 /nfs/dbraw/zinc/13/10/30/640131030.db2.gz JPDJUKBOERBJOS-BJJPWKGXSA-N 2 1 238.375 1.293 20 0 BDADMP COCCCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310180 640146476 /nfs/dbraw/zinc/14/64/76/640146476.db2.gz JCDXHRCPSMPCRY-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310180 640146479 /nfs/dbraw/zinc/14/64/79/640146479.db2.gz JCDXHRCPSMPCRY-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310180 640146483 /nfs/dbraw/zinc/14/64/83/640146483.db2.gz JCDXHRCPSMPCRY-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310180 640146486 /nfs/dbraw/zinc/14/64/86/640146486.db2.gz JCDXHRCPSMPCRY-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310180 640146487 /nfs/dbraw/zinc/14/64/87/640146487.db2.gz JCDXHRCPSMPCRY-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310181 640148368 /nfs/dbraw/zinc/14/83/68/640148368.db2.gz JCDXHRCPSMPCRY-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CC[C@H](CO)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316228 640155457 /nfs/dbraw/zinc/15/54/57/640155457.db2.gz HSRLQYJNLPTAPQ-AGIUHOORSA-N 2 1 226.364 1.031 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC000931435130 640203543 /nfs/dbraw/zinc/20/35/43/640203543.db2.gz HIANKQXXXSLMBT-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC000931435130 640203549 /nfs/dbraw/zinc/20/35/49/640203549.db2.gz HIANKQXXXSLMBT-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC000931435130 640203553 /nfs/dbraw/zinc/20/35/53/640203553.db2.gz HIANKQXXXSLMBT-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nc1 ZINC000931439892 640208278 /nfs/dbraw/zinc/20/82/78/640208278.db2.gz PEHZRLMHKGMDBU-KGLIPLIRSA-N 2 1 245.370 1.774 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nc1 ZINC000931439892 640208286 /nfs/dbraw/zinc/20/82/86/640208286.db2.gz PEHZRLMHKGMDBU-KGLIPLIRSA-N 2 1 245.370 1.774 20 0 BDADMP C[C@H](C1CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442177 640208996 /nfs/dbraw/zinc/20/89/96/640208996.db2.gz WXQMCOAFURFBBD-KGYLQXTDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H](C1CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442177 640209004 /nfs/dbraw/zinc/20/90/04/640209004.db2.gz WXQMCOAFURFBBD-KGYLQXTDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H](C1CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442177 640209009 /nfs/dbraw/zinc/20/90/09/640209009.db2.gz WXQMCOAFURFBBD-KGYLQXTDSA-N 2 1 208.349 1.668 20 0 BDADMP COCCCCC[N@H+]1CCc2nccc(N)c2C1 ZINC000931511510 640244092 /nfs/dbraw/zinc/24/40/92/640244092.db2.gz NYKIRTAEFPBVEP-UHFFFAOYSA-N 2 1 249.358 1.839 20 0 BDADMP COCCCCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931511510 640244095 /nfs/dbraw/zinc/24/40/95/640244095.db2.gz NYKIRTAEFPBVEP-UHFFFAOYSA-N 2 1 249.358 1.839 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CCOC3CC3)CC[C@@H]21 ZINC000931548282 640265632 /nfs/dbraw/zinc/26/56/32/640265632.db2.gz XXXFOQYURXEDJO-YPMHNXCESA-N 2 1 224.348 1.191 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOC3CC3)CC[C@@H]21 ZINC000931548282 640265644 /nfs/dbraw/zinc/26/56/44/640265644.db2.gz XXXFOQYURXEDJO-YPMHNXCESA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC3CC3)CC[C@@H]21 ZINC000931548282 640265649 /nfs/dbraw/zinc/26/56/49/640265649.db2.gz XXXFOQYURXEDJO-YPMHNXCESA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC3CC3)CC[C@@H]21 ZINC000931548282 640265656 /nfs/dbraw/zinc/26/56/56/640265656.db2.gz XXXFOQYURXEDJO-YPMHNXCESA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC3CC3)CC[C@@H]21 ZINC000931548282 640265665 /nfs/dbraw/zinc/26/56/65/640265665.db2.gz XXXFOQYURXEDJO-YPMHNXCESA-N 2 1 224.348 1.191 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000055144510 640438933 /nfs/dbraw/zinc/43/89/33/640438933.db2.gz OVNYSXASBLRYHL-BPCQOVAHSA-N 2 1 226.364 1.757 20 0 BDADMP C[N@@H+](CCCn1ccnc1)Cc1cccc(=O)[nH]1 ZINC000933398876 640713547 /nfs/dbraw/zinc/71/35/47/640713547.db2.gz NJUQVCLZQRWKCR-UHFFFAOYSA-N 2 1 246.314 1.506 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCS(=O)CC1 ZINC000226333064 640747276 /nfs/dbraw/zinc/74/72/76/640747276.db2.gz QVHKILZSOITOSH-UHFFFAOYSA-N 2 1 246.420 1.217 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000226315202 640748087 /nfs/dbraw/zinc/74/80/87/640748087.db2.gz FEDGTEOJABDKGX-RKDXNWHRSA-N 2 1 240.269 1.113 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000226315202 640748088 /nfs/dbraw/zinc/74/80/88/640748088.db2.gz FEDGTEOJABDKGX-RKDXNWHRSA-N 2 1 240.269 1.113 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCC3CC3)C[C@]2(C)C1 ZINC000933731825 640755066 /nfs/dbraw/zinc/75/50/66/640755066.db2.gz BUAHUXZPXBZGEE-OLZOCXBDSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000933731825 640755073 /nfs/dbraw/zinc/75/50/73/640755073.db2.gz BUAHUXZPXBZGEE-OLZOCXBDSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000933731825 640755080 /nfs/dbraw/zinc/75/50/80/640755080.db2.gz BUAHUXZPXBZGEE-OLZOCXBDSA-N 2 1 208.349 1.670 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@]2(C)C1 ZINC000933734127 640758388 /nfs/dbraw/zinc/75/83/88/640758388.db2.gz PAPNMZGYYFKOJA-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@]2(C)C1 ZINC000933734127 640758391 /nfs/dbraw/zinc/75/83/91/640758391.db2.gz PAPNMZGYYFKOJA-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@]2(C)C1 ZINC000933734127 640758393 /nfs/dbraw/zinc/75/83/93/640758393.db2.gz PAPNMZGYYFKOJA-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734104 640758925 /nfs/dbraw/zinc/75/89/25/640758925.db2.gz LOTAKYIYZDWTOJ-QNWHQSFQSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734104 640758931 /nfs/dbraw/zinc/75/89/31/640758931.db2.gz LOTAKYIYZDWTOJ-QNWHQSFQSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734104 640758938 /nfs/dbraw/zinc/75/89/38/640758938.db2.gz LOTAKYIYZDWTOJ-QNWHQSFQSA-N 2 1 208.349 1.526 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227431873 640833941 /nfs/dbraw/zinc/83/39/41/640833941.db2.gz TZPLNBZKGADAKJ-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227431873 640833943 /nfs/dbraw/zinc/83/39/43/640833943.db2.gz TZPLNBZKGADAKJ-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228851548 640900397 /nfs/dbraw/zinc/90/03/97/640900397.db2.gz QCFIWQOXKNHPGH-YIYPIFLZSA-N 2 1 246.354 1.880 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCCCCO ZINC000229306738 640944250 /nfs/dbraw/zinc/94/42/50/640944250.db2.gz FFEGGBLVHQZELM-UHFFFAOYSA-N 2 1 202.342 1.080 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)CCCO1 ZINC000061932303 641008467 /nfs/dbraw/zinc/00/84/67/641008467.db2.gz YGOSNUJEJJHPNU-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CCCO1 ZINC000061932303 641008469 /nfs/dbraw/zinc/00/84/69/641008469.db2.gz YGOSNUJEJJHPNU-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000230315710 641047757 /nfs/dbraw/zinc/04/77/57/641047757.db2.gz RZDXTAGHZWAMMM-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000934119609 641082195 /nfs/dbraw/zinc/08/21/95/641082195.db2.gz XSUPHLNALRFLKJ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862484 641099742 /nfs/dbraw/zinc/09/97/42/641099742.db2.gz MULGBWQEHZIKNE-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP COC(C)(C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000231024420 641125706 /nfs/dbraw/zinc/12/57/06/641125706.db2.gz BSBSDBUURYDTJJ-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000307931423 641196080 /nfs/dbraw/zinc/19/60/80/641196080.db2.gz CAMIPFAAFRJEMA-HLTSFMKQSA-N 2 1 240.269 1.111 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000307931423 641196089 /nfs/dbraw/zinc/19/60/89/641196089.db2.gz CAMIPFAAFRJEMA-HLTSFMKQSA-N 2 1 240.269 1.111 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000307931427 641196383 /nfs/dbraw/zinc/19/63/83/641196383.db2.gz CAMIPFAAFRJEMA-IWSPIJDZSA-N 2 1 240.269 1.111 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000307931427 641196386 /nfs/dbraw/zinc/19/63/86/641196386.db2.gz CAMIPFAAFRJEMA-IWSPIJDZSA-N 2 1 240.269 1.111 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)nc1 ZINC000088135764 641317303 /nfs/dbraw/zinc/31/73/03/641317303.db2.gz DOYJDQWSQHGNIH-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)nc1 ZINC000088135764 641317309 /nfs/dbraw/zinc/31/73/09/641317309.db2.gz DOYJDQWSQHGNIH-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929695175 641401131 /nfs/dbraw/zinc/40/11/31/641401131.db2.gz GDJHPRSMYIERGH-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313140419 641534919 /nfs/dbraw/zinc/53/49/19/641534919.db2.gz QKWPVRNTPZZPLO-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000042570124 641553772 /nfs/dbraw/zinc/55/37/72/641553772.db2.gz MKRKSJHGQATBGY-NEPJUHHUSA-N 2 1 216.369 1.467 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000042570130 641554092 /nfs/dbraw/zinc/55/40/92/641554092.db2.gz MKRKSJHGQATBGY-VXGBXAGGSA-N 2 1 216.369 1.467 20 0 BDADMP C[C@H](CNC(=O)CCCCC[NH3+])[N@@H+](C)C1CC1 ZINC000155649650 641577034 /nfs/dbraw/zinc/57/70/34/641577034.db2.gz IPDJNUXTULMFOC-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000157745326 641623302 /nfs/dbraw/zinc/62/33/02/641623302.db2.gz ZODRGUIMAKIMTH-DCAQKATOSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000157745326 641623305 /nfs/dbraw/zinc/62/33/05/641623305.db2.gz ZODRGUIMAKIMTH-DCAQKATOSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@@H]1CC[N@H+](C/C=C\Cl)C[C@@H]1C[NH3+] ZINC000308103998 642366846 /nfs/dbraw/zinc/36/68/46/642366846.db2.gz CCBWIFRVKYZHKZ-IMDSDMBUSA-N 2 1 202.729 1.656 20 0 BDADMP C[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@@H]1C[NH3+] ZINC000308103998 642366850 /nfs/dbraw/zinc/36/68/50/642366850.db2.gz CCBWIFRVKYZHKZ-IMDSDMBUSA-N 2 1 202.729 1.656 20 0 BDADMP C[C@@H]1CC[N@H+](C/C=C\Cl)C[C@H]1C[NH3+] ZINC000308103997 642366185 /nfs/dbraw/zinc/36/61/85/642366185.db2.gz CCBWIFRVKYZHKZ-AXBRGNRRSA-N 2 1 202.729 1.656 20 0 BDADMP C[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@H]1C[NH3+] ZINC000308103997 642366194 /nfs/dbraw/zinc/36/61/94/642366194.db2.gz CCBWIFRVKYZHKZ-AXBRGNRRSA-N 2 1 202.729 1.656 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000233518822 642674170 /nfs/dbraw/zinc/67/41/70/642674170.db2.gz XCISFHWJHCIZCK-WDEREUQCSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC(C)(C)C1 ZINC000069794567 642907199 /nfs/dbraw/zinc/90/71/99/642907199.db2.gz BSGZGLFKSCEOQL-NEPJUHHUSA-N 2 1 210.365 1.964 20 0 BDADMP COC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000081066148 643192575 /nfs/dbraw/zinc/19/25/75/643192575.db2.gz LQJPUJSOSAMYRN-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCCOC1 ZINC000082545735 643340390 /nfs/dbraw/zinc/34/03/90/643340390.db2.gz VOOWHGRQHJACKQ-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000082560286 643342383 /nfs/dbraw/zinc/34/23/83/643342383.db2.gz NSLXTUYDHOIZRO-OCCSQVGLSA-N 2 1 218.344 1.974 20 0 BDADMP C[NH+](C)C1(C[NH2+]C2CCCC2)CCOCC1 ZINC000073008919 643352476 /nfs/dbraw/zinc/35/24/76/643352476.db2.gz NIQRUBOKZFLCQV-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000082952630 643390219 /nfs/dbraw/zinc/39/02/19/643390219.db2.gz OCLVCFJWICUIOD-JTQLQIEISA-N 2 1 210.346 1.919 20 0 BDADMP CCc1cc(N2CC[C@@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC000234156405 643544126 /nfs/dbraw/zinc/54/41/26/643544126.db2.gz FEFYASKOAUOQRV-ZDUSSCGKSA-N 2 1 234.347 1.523 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921580679 643613048 /nfs/dbraw/zinc/61/30/48/643613048.db2.gz FPVIZJXWTSZWPK-CYBMUJFWSA-N 2 1 249.358 1.609 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846222445 643650301 /nfs/dbraw/zinc/65/03/01/643650301.db2.gz CTTNEWAQPHSHPG-MCIONIFRSA-N 3 1 241.423 1.811 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000084216577 643650439 /nfs/dbraw/zinc/65/04/39/643650439.db2.gz YBCUHVYYOLPYPZ-PWSUYJOCSA-N 2 1 223.320 1.590 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCCO1 ZINC000084385785 643660134 /nfs/dbraw/zinc/66/01/34/643660134.db2.gz ZSCGDHLMPDFEAZ-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CCOCC[N@@H+](C)CCCCCC[NH3+] ZINC000087977856 643692224 /nfs/dbraw/zinc/69/22/24/643692224.db2.gz BXFNVUNDQNIWJY-UHFFFAOYSA-N 2 1 202.342 1.474 20 0 BDADMP CC(C)(C)[N@@H+]1CC[C@H](NCc2cc[nH]c(=O)c2)C1 ZINC000922237654 643914849 /nfs/dbraw/zinc/91/48/49/643914849.db2.gz MFKIQSCPIWPXRK-LBPRGKRZSA-N 2 1 249.358 1.750 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](NCc2cc[nH]c(=O)c2)C1 ZINC000922237654 643914859 /nfs/dbraw/zinc/91/48/59/643914859.db2.gz MFKIQSCPIWPXRK-LBPRGKRZSA-N 2 1 249.358 1.750 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)C[NH+](C)C ZINC000922757664 644087591 /nfs/dbraw/zinc/08/75/91/644087591.db2.gz JLTXKALJOOKFIY-RWMBFGLXSA-N 2 1 244.379 1.110 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C[NH+](C)C ZINC000922754913 644087824 /nfs/dbraw/zinc/08/78/24/644087824.db2.gz VFRHMISFDZNJDM-YVECIDJPSA-N 2 1 244.379 1.109 20 0 BDADMP CCO[C@H](C[NH2+]C[C@H](C)CC)C[NH+](C)C ZINC000922758044 644088481 /nfs/dbraw/zinc/08/84/81/644088481.db2.gz OZKGTPNEWRQTLX-VXGBXAGGSA-N 2 1 216.369 1.589 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279018 644312522 /nfs/dbraw/zinc/31/25/22/644312522.db2.gz AIMPPMGCONWAMI-CYBMUJFWSA-N 2 1 228.380 1.467 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000923280555 644314288 /nfs/dbraw/zinc/31/42/88/644314288.db2.gz BOMXGPHNQKFSLG-UONOGXRCSA-N 2 1 242.407 1.715 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923282633 644318621 /nfs/dbraw/zinc/31/86/21/644318621.db2.gz XNEKVDSUQRXCCW-HUUCEWRRSA-N 2 1 248.370 1.261 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923288741 644324252 /nfs/dbraw/zinc/32/42/52/644324252.db2.gz CEFJUKNVQGSCEX-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300084 644326498 /nfs/dbraw/zinc/32/64/98/644326498.db2.gz NQXBTPRJXNFACZ-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000923290967 644326509 /nfs/dbraw/zinc/32/65/09/644326509.db2.gz PSNHWMXEMYKGLG-DZGCQCFKSA-N 2 1 248.370 1.570 20 0 BDADMP C[C@@H](CN)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292444 644328315 /nfs/dbraw/zinc/32/83/15/644328315.db2.gz YDGCJTGYZFRZKC-WODVXLOZSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H](C[NH3+])N(C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292444 644328322 /nfs/dbraw/zinc/32/83/22/644328322.db2.gz YDGCJTGYZFRZKC-WODVXLOZSA-N 2 1 225.380 1.186 20 0 BDADMP NC[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293111 644329844 /nfs/dbraw/zinc/32/98/44/644329844.db2.gz NLVHRGNAHBADLI-WTUNAVPPSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293111 644329851 /nfs/dbraw/zinc/32/98/51/644329851.db2.gz NLVHRGNAHBADLI-WTUNAVPPSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293111 644329857 /nfs/dbraw/zinc/32/98/57/644329857.db2.gz NLVHRGNAHBADLI-WTUNAVPPSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293111 644329862 /nfs/dbraw/zinc/32/98/62/644329862.db2.gz NLVHRGNAHBADLI-WTUNAVPPSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923293613 644330690 /nfs/dbraw/zinc/33/06/90/644330690.db2.gz ZGWCDUXOAKFCQX-KBPBESRZSA-N 2 1 234.343 1.013 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923293613 644330694 /nfs/dbraw/zinc/33/06/94/644330694.db2.gz ZGWCDUXOAKFCQX-KBPBESRZSA-N 2 1 234.343 1.013 20 0 BDADMP CC(C)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923307994 644337929 /nfs/dbraw/zinc/33/79/29/644337929.db2.gz YOYIWIXEIVEKAK-GFCCVEGCSA-N 2 1 224.348 1.238 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312284 644340298 /nfs/dbraw/zinc/34/02/98/644340298.db2.gz DCGHZNKEAQFFPT-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000923317565 644344745 /nfs/dbraw/zinc/34/47/45/644344745.db2.gz FIQRQQHFHIREFT-JSGCOSHPSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000923317565 644344753 /nfs/dbraw/zinc/34/47/53/644344753.db2.gz FIQRQQHFHIREFT-JSGCOSHPSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309059 644346313 /nfs/dbraw/zinc/34/63/13/644346313.db2.gz IXLYECFVRJYRIK-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@H]21 ZINC000923330701 644350674 /nfs/dbraw/zinc/35/06/74/644350674.db2.gz CEPGNAFHQXUFHS-IACUBPJLSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2CN(CCC[NH2+]C3CC3)C[C@H]21 ZINC000923330701 644350682 /nfs/dbraw/zinc/35/06/82/644350682.db2.gz CEPGNAFHQXUFHS-IACUBPJLSA-N 2 1 237.391 1.188 20 0 BDADMP c1cnn(C[C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923322488 644352159 /nfs/dbraw/zinc/35/21/59/644352159.db2.gz LUJWADDRNCYCAU-CQSZACIVSA-N 2 1 248.374 1.490 20 0 BDADMP Fc1cccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000923349090 644362449 /nfs/dbraw/zinc/36/24/49/644362449.db2.gz QRZMEFMYYQTZIE-BETUJISGSA-N 2 1 234.318 1.519 20 0 BDADMP Fc1cccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000923349090 644362456 /nfs/dbraw/zinc/36/24/56/644362456.db2.gz QRZMEFMYYQTZIE-BETUJISGSA-N 2 1 234.318 1.519 20 0 BDADMP CCOCCOCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923352370 644370125 /nfs/dbraw/zinc/37/01/25/644370125.db2.gz DHCGNIVZTSGONR-ZDUSSCGKSA-N 2 1 244.379 1.243 20 0 BDADMP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354980 644372941 /nfs/dbraw/zinc/37/29/41/644372941.db2.gz XRBWOBTZYZXKMH-APYLGABCSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354980 644372947 /nfs/dbraw/zinc/37/29/47/644372947.db2.gz XRBWOBTZYZXKMH-APYLGABCSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1[C@H](N)CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354980 644372952 /nfs/dbraw/zinc/37/29/52/644372952.db2.gz XRBWOBTZYZXKMH-APYLGABCSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@H]1[C@H](N)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354980 644372956 /nfs/dbraw/zinc/37/29/56/644372956.db2.gz XRBWOBTZYZXKMH-APYLGABCSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1[NH3+] ZINC000923365003 644374552 /nfs/dbraw/zinc/37/45/52/644374552.db2.gz BWLXAWGXSLDHSM-BPLDGKMQSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1[NH3+] ZINC000923365003 644374553 /nfs/dbraw/zinc/37/45/53/644374553.db2.gz BWLXAWGXSLDHSM-BPLDGKMQSA-N 2 1 248.370 1.259 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923363589 644375723 /nfs/dbraw/zinc/37/57/23/644375723.db2.gz DAYNGBZGFZTYMS-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H](O)CC1CCCC1 ZINC000923370716 644380010 /nfs/dbraw/zinc/38/00/10/644380010.db2.gz QJWFYNSOLVJKJP-OLZOCXBDSA-N 2 1 242.407 1.891 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923360326 644384355 /nfs/dbraw/zinc/38/43/55/644384355.db2.gz ZZXBQIMSCGUNLP-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923373446 644388567 /nfs/dbraw/zinc/38/85/67/644388567.db2.gz MWXSJKQTPIHGBI-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923373446 644388573 /nfs/dbraw/zinc/38/85/73/644388573.db2.gz MWXSJKQTPIHGBI-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP c1cn([C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923383421 644396857 /nfs/dbraw/zinc/39/68/57/644396857.db2.gz ZRNUXCBWBROVLY-CYBMUJFWSA-N 2 1 249.362 1.057 20 0 BDADMP c1cn([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923383421 644396861 /nfs/dbraw/zinc/39/68/61/644396861.db2.gz ZRNUXCBWBROVLY-CYBMUJFWSA-N 2 1 249.362 1.057 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923410392 644412123 /nfs/dbraw/zinc/41/21/23/644412123.db2.gz GLKWHALVTNFDBQ-AVGNSLFASA-N 2 1 228.380 1.310 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000923413191 644417527 /nfs/dbraw/zinc/41/75/27/644417527.db2.gz UPKBSCVMWONHMW-NWANDNLSSA-N 2 1 248.370 1.555 20 0 BDADMP CCN1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084220330 644421524 /nfs/dbraw/zinc/42/15/24/644421524.db2.gz SRMXHVVMPIANOE-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923437501 644424434 /nfs/dbraw/zinc/42/44/34/644424434.db2.gz SLGUGECBYCAQPS-IGQOVBAYSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC[C@H]1CCC[NH2+]C1 ZINC000923437501 644424437 /nfs/dbraw/zinc/42/44/37/644424437.db2.gz SLGUGECBYCAQPS-IGQOVBAYSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923437500 644425424 /nfs/dbraw/zinc/42/54/24/644425424.db2.gz SLGUGECBYCAQPS-FQUUOJAGSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC[C@@H]1CCC[NH2+]C1 ZINC000923437500 644425429 /nfs/dbraw/zinc/42/54/29/644425429.db2.gz SLGUGECBYCAQPS-FQUUOJAGSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCC1CC[NH2+]CC1 ZINC000923438441 644431849 /nfs/dbraw/zinc/43/18/49/644431849.db2.gz ZGMYYAHJMDCXKF-RWMBFGLXSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CCC1CC[NH2+]CC1 ZINC000923438441 644431845 /nfs/dbraw/zinc/43/18/45/644431845.db2.gz ZGMYYAHJMDCXKF-RWMBFGLXSA-N 2 1 239.407 1.447 20 0 BDADMP CN(C)c1nc(NCC[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000085432162 644440942 /nfs/dbraw/zinc/44/09/42/644440942.db2.gz JNIZTXDCXYBRDU-LLVKDONJSA-N 2 1 249.362 1.344 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454361 644444430 /nfs/dbraw/zinc/44/44/30/644444430.db2.gz HHUHGYFFCVROFD-MROQNXINSA-N 2 1 208.349 1.716 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454361 644444435 /nfs/dbraw/zinc/44/44/35/644444435.db2.gz HHUHGYFFCVROFD-MROQNXINSA-N 2 1 208.349 1.716 20 0 BDADMP CCc1noc([C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923486327 644456715 /nfs/dbraw/zinc/45/67/15/644456715.db2.gz PSHOLVJSAVYHAB-ZJUUUORDSA-N 2 1 238.335 1.364 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000086189387 644457728 /nfs/dbraw/zinc/45/77/28/644457728.db2.gz FPASCJKSGOYHLY-FRRDWIJNSA-N 2 1 225.380 1.140 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495161 644462095 /nfs/dbraw/zinc/46/20/95/644462095.db2.gz UQSFFYIFNFYUEG-GHMZBOCLSA-N 2 1 237.347 1.654 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495163 644462893 /nfs/dbraw/zinc/46/28/93/644462893.db2.gz UQSFFYIFNFYUEG-QWRGUYRKSA-N 2 1 237.347 1.654 20 0 BDADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496345 644463355 /nfs/dbraw/zinc/46/33/55/644463355.db2.gz HMVDQEBVHKXWBM-TUAOUCFPSA-N 2 1 242.363 1.245 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)nn1 ZINC000923490569 644465193 /nfs/dbraw/zinc/46/51/93/644465193.db2.gz DNLNAHJCOMEJAH-MFKMUULPSA-N 2 1 248.374 1.510 20 0 BDADMP C[C@@H]1C[N@@H+](CCOC(F)F)CC[C@H]1C[NH3+] ZINC000923490317 644465758 /nfs/dbraw/zinc/46/57/58/644465758.db2.gz MTXGLYDQUNKYHR-BDAKNGLRSA-N 2 1 222.279 1.142 20 0 BDADMP C[C@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@H]1C[NH3+] ZINC000923492626 644468415 /nfs/dbraw/zinc/46/84/15/644468415.db2.gz YATVIFPPBOBGQK-JQWIXIFHSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923502025 644469418 /nfs/dbraw/zinc/46/94/18/644469418.db2.gz WBJOGBJGEHZXCE-TZMCWYRMSA-N 3 1 239.407 1.293 20 0 BDADMP Clc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086725103 644469712 /nfs/dbraw/zinc/46/97/12/644469712.db2.gz IWOLIUZLHLCYEJ-GFCCVEGCSA-N 2 1 224.735 1.834 20 0 BDADMP C[C@H]1C[N@@H+](CCOC2CC2)CC[C@@H]1C[NH3+] ZINC000923494142 644469828 /nfs/dbraw/zinc/46/98/28/644469828.db2.gz VWSVTDASHBKGGH-WDEREUQCSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923498795 644471891 /nfs/dbraw/zinc/47/18/91/644471891.db2.gz LPVDSHWCIUJCCC-WCABBAIRSA-N 2 1 238.335 1.356 20 0 BDADMP CCc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923499450 644472562 /nfs/dbraw/zinc/47/25/62/644472562.db2.gz KXOPQQIMSMXOOE-MNOVXSKESA-N 2 1 237.347 1.654 20 0 BDADMP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500658 644472754 /nfs/dbraw/zinc/47/27/54/644472754.db2.gz WMEUAVJCCBXQQI-SDDRHHMPSA-N 2 1 242.363 1.245 20 0 BDADMP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500661 644474112 /nfs/dbraw/zinc/47/41/12/644474112.db2.gz WMEUAVJCCBXQQI-WOPDTQHZSA-N 2 1 242.363 1.245 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCCCC1 ZINC000923510799 644477464 /nfs/dbraw/zinc/47/74/64/644477464.db2.gz DEZCDCNTHVCLCP-BNOWGMLFSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCCCC1 ZINC000923510799 644477467 /nfs/dbraw/zinc/47/74/67/644477467.db2.gz DEZCDCNTHVCLCP-BNOWGMLFSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516832 644479035 /nfs/dbraw/zinc/47/90/35/644479035.db2.gz UMVUBRFVAMSVAL-RWMBFGLXSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515084 644479196 /nfs/dbraw/zinc/47/91/96/644479196.db2.gz CNTRSWCCAVRNNT-RVMXOQNASA-N 2 1 224.348 1.095 20 0 BDADMP c1cncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923517002 644480142 /nfs/dbraw/zinc/48/01/42/644480142.db2.gz CFQVOWCBZBDJIA-QWHCGFSZSA-N 2 1 217.316 1.123 20 0 BDADMP c1cncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923517002 644480147 /nfs/dbraw/zinc/48/01/47/644480147.db2.gz CFQVOWCBZBDJIA-QWHCGFSZSA-N 2 1 217.316 1.123 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515467 644481193 /nfs/dbraw/zinc/48/11/93/644481193.db2.gz HHTYCAQRTWEWHW-NWDGAFQWSA-N 2 1 249.358 1.587 20 0 BDADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515467 644481198 /nfs/dbraw/zinc/48/11/98/644481198.db2.gz HHTYCAQRTWEWHW-NWDGAFQWSA-N 2 1 249.358 1.587 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533743 644490246 /nfs/dbraw/zinc/49/02/46/644490246.db2.gz NWMGTQDHQBMPDY-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533743 644490253 /nfs/dbraw/zinc/49/02/53/644490253.db2.gz NWMGTQDHQBMPDY-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP COCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534069 644490681 /nfs/dbraw/zinc/49/06/81/644490681.db2.gz NMTIWFYGYRPUJX-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534069 644490684 /nfs/dbraw/zinc/49/06/84/644490684.db2.gz NMTIWFYGYRPUJX-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH2+]1 ZINC000923554713 644497586 /nfs/dbraw/zinc/49/75/86/644497586.db2.gz OLMKIYZZYSDUMB-KGLIPLIRSA-N 2 1 239.407 1.401 20 0 BDADMP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923556359 644501495 /nfs/dbraw/zinc/50/14/95/644501495.db2.gz WNDYTVWQAWPWJH-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP C(C1CC1)[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923556359 644501500 /nfs/dbraw/zinc/50/15/00/644501500.db2.gz WNDYTVWQAWPWJH-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000089749317 644564853 /nfs/dbraw/zinc/56/48/53/644564853.db2.gz GBAISRMOYHXHFL-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCCCO1 ZINC000250434400 644757498 /nfs/dbraw/zinc/75/74/98/644757498.db2.gz RTNQAFUVTPQUBR-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[N@@H+](C[C@H]1CCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000250792930 644780019 /nfs/dbraw/zinc/78/00/19/644780019.db2.gz KEJPGBWGEZWQIG-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@H]1[NH3+] ZINC000251563659 644810115 /nfs/dbraw/zinc/81/01/15/644810115.db2.gz BPHLACHCHZATFF-BPLDGKMQSA-N 2 1 248.370 1.779 20 0 BDADMP C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000843129418 645267480 /nfs/dbraw/zinc/26/74/80/645267480.db2.gz UADQNHGSKWTZIM-FZMZJTMJSA-N 2 1 233.359 1.375 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@H+]1CCCCCCC[NH3+] ZINC000843368999 645286022 /nfs/dbraw/zinc/28/60/22/645286022.db2.gz AWEJBNDDEQTDNH-BETUJISGSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CCCCCCC[NH3+] ZINC000843368999 645286026 /nfs/dbraw/zinc/28/60/26/645286026.db2.gz AWEJBNDDEQTDNH-BETUJISGSA-N 2 1 227.396 1.578 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CC1(F)F ZINC000926738554 645394223 /nfs/dbraw/zinc/39/42/23/645394223.db2.gz ULEQUGXJYXZFMD-FBTJUVTCSA-N 2 1 244.329 1.962 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC(=O)O2)CC[N@@H+]1C ZINC000851796304 645469046 /nfs/dbraw/zinc/46/90/46/645469046.db2.gz AOAOYVOYPXKJFN-IJLUTSLNSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC(=O)O2)CC[N@H+]1C ZINC000851796304 645469053 /nfs/dbraw/zinc/46/90/53/645469053.db2.gz AOAOYVOYPXKJFN-IJLUTSLNSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC(=O)O2)CC[NH+]1C ZINC000851796304 645469058 /nfs/dbraw/zinc/46/90/58/645469058.db2.gz AOAOYVOYPXKJFN-IJLUTSLNSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC(=O)O2)CC[NH+]1C ZINC000851796304 645469063 /nfs/dbraw/zinc/46/90/63/645469063.db2.gz AOAOYVOYPXKJFN-IJLUTSLNSA-N 2 1 240.347 1.107 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NCC(C)C)C1CC1 ZINC000221886901 645893812 /nfs/dbraw/zinc/89/38/12/645893812.db2.gz WORKOTXYYVFODE-UHFFFAOYSA-N 2 1 226.368 1.241 20 0 BDADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccnnc1 ZINC000924527288 646048004 /nfs/dbraw/zinc/04/80/04/646048004.db2.gz RGTFCIFXIFIBLE-LLVKDONJSA-N 2 1 236.363 1.715 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000924646264 646081473 /nfs/dbraw/zinc/08/14/73/646081473.db2.gz DLJAONOMSQBHLR-VXGBXAGGSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1cccc2c1[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CC2 ZINC000924993486 646152277 /nfs/dbraw/zinc/15/22/77/646152277.db2.gz LJVRLRAFWOGPSS-UONOGXRCSA-N 2 1 248.370 1.494 20 0 BDADMP CC(C)C(C(C)C)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924990636 646152855 /nfs/dbraw/zinc/15/28/55/646152855.db2.gz JCVGLOLQXCYQHR-QWHCGFSZSA-N 2 1 244.423 1.815 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@](C)(O)C1CC1 ZINC000925040398 646165421 /nfs/dbraw/zinc/16/54/21/646165421.db2.gz MJRPKSGFSHLEDU-OWZDMKDPSA-N 2 1 238.375 1.077 20 0 BDADMP CSCCCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925098024 646184930 /nfs/dbraw/zinc/18/49/30/646184930.db2.gz LOYSPOVHUXLXLO-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP CSCCCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925098024 646184940 /nfs/dbraw/zinc/18/49/40/646184940.db2.gz LOYSPOVHUXLXLO-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925479481 646291392 /nfs/dbraw/zinc/29/13/92/646291392.db2.gz BNEMAVLNRHKCKN-GARJFASQSA-N 2 1 214.353 1.124 20 0 BDADMP c1cn(CCCCN[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000925495636 646301974 /nfs/dbraw/zinc/30/19/74/646301974.db2.gz QPJSUQGWHAKGDZ-CYBMUJFWSA-N 3 1 248.374 1.538 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CCCO1 ZINC000925503155 646305858 /nfs/dbraw/zinc/30/58/58/646305858.db2.gz NJIOMJVTLYEUQH-NEPJUHHUSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCOC2CC2)CC[N@@H+]1C ZINC000929782925 646308426 /nfs/dbraw/zinc/30/84/26/646308426.db2.gz NFCXQEYCDLPBCU-NEPJUHHUSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCOC2CC2)CC[N@H+]1C ZINC000929782925 646308431 /nfs/dbraw/zinc/30/84/31/646308431.db2.gz NFCXQEYCDLPBCU-NEPJUHHUSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCOC2CC2)CC[NH+]1C ZINC000929782925 646308437 /nfs/dbraw/zinc/30/84/37/646308437.db2.gz NFCXQEYCDLPBCU-NEPJUHHUSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC2CC2)CC[NH+]1C ZINC000929782925 646308441 /nfs/dbraw/zinc/30/84/41/646308441.db2.gz NFCXQEYCDLPBCU-NEPJUHHUSA-N 2 1 226.364 1.580 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925510337 646308726 /nfs/dbraw/zinc/30/87/26/646308726.db2.gz UZNVRUWGBQKIGY-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP C[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511553 646310257 /nfs/dbraw/zinc/31/02/57/646310257.db2.gz OYQGIPDXOOMKNM-DGCLKSJQSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925522452 646315530 /nfs/dbraw/zinc/31/55/30/646315530.db2.gz RRRAKUVVIINCDK-UPJWGTAASA-N 3 1 241.423 1.822 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925529201 646317365 /nfs/dbraw/zinc/31/73/65/646317365.db2.gz ZPSMIGWRVYCPKN-STQMWFEESA-N 2 1 242.407 1.905 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000925530380 646320507 /nfs/dbraw/zinc/32/05/07/646320507.db2.gz KDYOLGLKICUNDP-IGQOVBAYSA-N 2 1 240.391 1.658 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925536202 646321509 /nfs/dbraw/zinc/32/15/09/646321509.db2.gz CIWIEPGEGWMVSI-AGIUHOORSA-N 2 1 248.374 1.286 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C[N@H+]1C1CC1 ZINC000925544278 646325389 /nfs/dbraw/zinc/32/53/89/646325389.db2.gz ZBDDQGOTZYMHOB-XWUBHJNHSA-N 2 1 249.402 1.471 20 0 BDADMP COC1CCC(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925543116 646325413 /nfs/dbraw/zinc/32/54/13/646325413.db2.gz QPJAOCMCVUMZJF-GFJIZPEISA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925550839 646328853 /nfs/dbraw/zinc/32/88/53/646328853.db2.gz DJTQVXPLFCNYQI-SAXRGWBVSA-N 2 1 249.402 1.329 20 0 BDADMP C[C@@H](CCCO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925550948 646329894 /nfs/dbraw/zinc/32/98/94/646329894.db2.gz VDUVHRCZCJRHOE-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925579349 646344379 /nfs/dbraw/zinc/34/43/79/646344379.db2.gz DHSPGPSAYPRQNX-NWDGAFQWSA-N 2 1 226.364 1.268 20 0 BDADMP CC[C@@H](O)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925582018 646344502 /nfs/dbraw/zinc/34/45/02/646344502.db2.gz VSZYEBVDQOUOBL-GHMZBOCLSA-N 2 1 214.353 1.268 20 0 BDADMP c1coc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925611258 646359609 /nfs/dbraw/zinc/35/96/09/646359609.db2.gz LIYKXICHOBPEIG-GFCCVEGCSA-N 2 1 220.316 1.696 20 0 BDADMP CC(C)[C@@H](O)C1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925636930 646379521 /nfs/dbraw/zinc/37/95/21/646379521.db2.gz WCCIFYDQEASONM-VXGBXAGGSA-N 2 1 240.391 1.514 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925643715 646384256 /nfs/dbraw/zinc/38/42/56/646384256.db2.gz HPEYRAQPOAKEKJ-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP CC(C)(O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925645127 646387826 /nfs/dbraw/zinc/38/78/26/646387826.db2.gz QFOLZIHHDJJAQU-NSHDSACASA-N 2 1 226.364 1.412 20 0 BDADMP FCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925657435 646393356 /nfs/dbraw/zinc/39/33/56/646393356.db2.gz SHYIBUXIDGMIDI-RYUDHWBXSA-N 2 1 214.328 1.714 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925669498 646400809 /nfs/dbraw/zinc/40/08/09/646400809.db2.gz UPBSIYOJCYQMIR-AGIUHOORSA-N 2 1 248.374 1.286 20 0 BDADMP C[C@@H](CN(C)C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671755 646400930 /nfs/dbraw/zinc/40/09/30/646400930.db2.gz FPNSJTUYWPDHLM-SRVKXCTJSA-N 2 1 227.396 1.432 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C12CCC2 ZINC000925686744 646413422 /nfs/dbraw/zinc/41/34/22/646413422.db2.gz VYSZZCMBVDJBBG-SDDRHHMPSA-N 2 1 238.375 1.674 20 0 BDADMP C[NH2+]CCCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925689677 646415058 /nfs/dbraw/zinc/41/50/58/646415058.db2.gz HVZHBNRGVVCHQX-CQSZACIVSA-N 2 1 235.375 1.666 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000925689365 646415268 /nfs/dbraw/zinc/41/52/68/646415268.db2.gz IEPPREMUFPBOBV-WOPDTQHZSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925689535 646417221 /nfs/dbraw/zinc/41/72/21/646417221.db2.gz BLRBEMNOGAAKLZ-WPPJOMGTSA-N 3 1 247.386 1.934 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925696264 646421878 /nfs/dbraw/zinc/42/18/78/646421878.db2.gz YOSPAKIXJPLEBT-SDDRHHMPSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CS1 ZINC000925697512 646421918 /nfs/dbraw/zinc/42/19/18/646421918.db2.gz OUJZRVKVFNXSHE-GMTAPVOTSA-N 2 1 226.389 1.755 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925697689 646423335 /nfs/dbraw/zinc/42/33/35/646423335.db2.gz HJOHUINQKBAGQL-XBFCOCLRSA-N 3 1 239.407 1.339 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925712490 646436378 /nfs/dbraw/zinc/43/63/78/646436378.db2.gz HBLLKBCSHWTLRL-TZMCWYRMSA-N 2 1 245.370 1.887 20 0 BDADMP CC(C)CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925719974 646444522 /nfs/dbraw/zinc/44/45/22/646444522.db2.gz RHBLOZCJECZSRY-QWHCGFSZSA-N 2 1 240.391 1.658 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925719973 646444637 /nfs/dbraw/zinc/44/46/37/646444637.db2.gz RHBLOZCJECZSRY-OLZOCXBDSA-N 2 1 240.391 1.658 20 0 BDADMP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727185 646451565 /nfs/dbraw/zinc/45/15/65/646451565.db2.gz NGNKMPSYTBNNOF-CRWXNKLISA-N 2 1 249.402 1.391 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])c2nccn21 ZINC000925738681 646463004 /nfs/dbraw/zinc/46/30/04/646463004.db2.gz SJINIMDZWQAOQP-NXEZZACHSA-N 2 1 222.336 1.606 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(=O)[nH]n1 ZINC000925779708 646477387 /nfs/dbraw/zinc/47/73/87/646477387.db2.gz OUXOGVBTZQBHRS-GUBZILKMSA-N 2 1 236.319 1.103 20 0 BDADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000930178376 646480830 /nfs/dbraw/zinc/48/08/30/646480830.db2.gz XIVZMWRSPDPRRD-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP CSC1CC([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000925810459 646490337 /nfs/dbraw/zinc/49/03/37/646490337.db2.gz AJLJBOVVASNNJI-WHXUTIOJSA-N 2 1 237.372 1.682 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925815694 646492294 /nfs/dbraw/zinc/49/22/94/646492294.db2.gz YNRUNZMHOSAINK-WOPDTQHZSA-N 2 1 235.331 1.213 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC=CC1 ZINC000925830357 646501646 /nfs/dbraw/zinc/50/16/46/646501646.db2.gz CVEONTAXYUSJHC-WCQYABFASA-N 2 1 208.349 1.930 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840578 646506261 /nfs/dbraw/zinc/50/62/61/646506261.db2.gz MUCAXMIHBVISLO-FDYHWXHSSA-N 3 1 225.380 1.234 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839681 646506577 /nfs/dbraw/zinc/50/65/77/646506577.db2.gz JAJIWZLSKBEOMF-XJFOESAGSA-N 3 1 237.391 1.236 20 0 BDADMP CC(C)[C@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925849822 646510118 /nfs/dbraw/zinc/51/01/18/646510118.db2.gz QNINLCSOSFFTIH-AWEZNQCLSA-N 2 1 241.423 1.696 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000925853975 646511720 /nfs/dbraw/zinc/51/17/20/646511720.db2.gz DCZYVPFRNBHNNV-TUAOUCFPSA-N 2 1 214.353 1.268 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC000925879460 646529771 /nfs/dbraw/zinc/52/97/71/646529771.db2.gz FEIGGCXNDIKSTG-RNJOBUHISA-N 2 1 225.380 1.363 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879417 646529774 /nfs/dbraw/zinc/52/97/74/646529774.db2.gz DLDRNCCOOGWOBU-RJZRQDKASA-N 3 1 247.386 1.792 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000925881211 646531198 /nfs/dbraw/zinc/53/11/98/646531198.db2.gz ZHFKDZQTKKILPF-UMNHJUIQSA-N 2 1 234.347 1.504 20 0 BDADMP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)[C@H]1CCC[NH2+]1 ZINC000925892454 646535016 /nfs/dbraw/zinc/53/50/16/646535016.db2.gz BJJLZKSGGQCIJF-UPJWGTAASA-N 2 1 238.375 1.818 20 0 BDADMP C1CC1C1([NH2+][C@@H]2C[N@@H+]3C[C@@H]2CCC3)CC1 ZINC000925896632 646535089 /nfs/dbraw/zinc/53/50/89/646535089.db2.gz PPUXTZLEJRLFCD-CMPLNLGQSA-N 2 1 206.333 1.613 20 0 BDADMP C1CC1C1([NH2+][C@@H]2C[N@H+]3C[C@@H]2CCC3)CC1 ZINC000925896632 646535097 /nfs/dbraw/zinc/53/50/97/646535097.db2.gz PPUXTZLEJRLFCD-CMPLNLGQSA-N 2 1 206.333 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000926175649 646589647 /nfs/dbraw/zinc/58/96/47/646589647.db2.gz ZRJNBZMXEYVFLD-MROQNXINSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000926175649 646589654 /nfs/dbraw/zinc/58/96/54/646589654.db2.gz ZRJNBZMXEYVFLD-MROQNXINSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000926259823 646607240 /nfs/dbraw/zinc/60/72/40/646607240.db2.gz QHHHUQAJSWHFGA-VJBQPNPTSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337989 646619359 /nfs/dbraw/zinc/61/93/59/646619359.db2.gz UUPKGQZVAVAIHC-RYSNWHEDSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)CC[C@H]1[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926421946 646634124 /nfs/dbraw/zinc/63/41/24/646634124.db2.gz QILQBAFZCHKLFT-QJPTWQEYSA-N 2 1 208.349 1.859 20 0 BDADMP CC1(C)CC[C@H]1[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926421946 646634131 /nfs/dbraw/zinc/63/41/31/646634131.db2.gz QILQBAFZCHKLFT-QJPTWQEYSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)CC[NH+]1CCC([NH2+]CCN(C)C)CC1 ZINC000926422635 646635605 /nfs/dbraw/zinc/63/56/05/646635605.db2.gz YPCJEVISICSKDL-UHFFFAOYSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926507721 646667160 /nfs/dbraw/zinc/66/71/60/646667160.db2.gz JQKMZDDXLGUBPB-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926507721 646667165 /nfs/dbraw/zinc/66/71/65/646667165.db2.gz JQKMZDDXLGUBPB-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887421 711543440 /nfs/dbraw/zinc/54/34/40/711543440.db2.gz MYIDVCCSLUYRFP-IJLUTSLNSA-N 2 1 214.353 1.186 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000723962529 711548200 /nfs/dbraw/zinc/54/82/00/711548200.db2.gz FNDCHNOBXUNWEQ-LBPRGKRZSA-N 2 1 236.363 1.289 20 0 BDADMP CCCCC1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000934202999 711574985 /nfs/dbraw/zinc/57/49/85/711574985.db2.gz MLYSTFKDFUMWLG-ZDUSSCGKSA-N 2 1 240.391 1.754 20 0 BDADMP CCCCC1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000934202999 711574988 /nfs/dbraw/zinc/57/49/88/711574988.db2.gz MLYSTFKDFUMWLG-ZDUSSCGKSA-N 2 1 240.391 1.754 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H](C[NH+](C)C)C2)c(C)[nH+]1 ZINC000724775803 711613257 /nfs/dbraw/zinc/61/32/57/711613257.db2.gz INAZLOPYXZWIPG-LBPRGKRZSA-N 2 1 236.363 1.410 20 0 BDADMP CCCc1[nH+]ccn1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309062971 711660958 /nfs/dbraw/zinc/66/09/58/711660958.db2.gz XEBSYTDAECUNKE-MNOVXSKESA-N 2 1 207.321 1.963 20 0 BDADMP CC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397291413 711705265 /nfs/dbraw/zinc/70/52/65/711705265.db2.gz AIBHNLYKEOBXGU-WYUUTHIRSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000925711354 711711086 /nfs/dbraw/zinc/71/10/86/711711086.db2.gz MUEKDYJCQJPCDP-RYUDHWBXSA-N 3 1 213.369 1.236 20 0 BDADMP COc1ccc(CC[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000083827527 711810429 /nfs/dbraw/zinc/81/04/29/711810429.db2.gz PDPHJWVBSLDKHC-LLVKDONJSA-N 2 1 222.332 1.517 20 0 BDADMP COc1ccc(CC[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000083827527 711810430 /nfs/dbraw/zinc/81/04/30/711810430.db2.gz PDPHJWVBSLDKHC-LLVKDONJSA-N 2 1 222.332 1.517 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721913905 711918248 /nfs/dbraw/zinc/91/82/48/711918248.db2.gz QQKQFULMHPWAHT-IHRRRGAJSA-N 2 1 242.407 1.964 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000721921285 711937122 /nfs/dbraw/zinc/93/71/22/711937122.db2.gz XJCHHXPTFYJVBA-FVCCEPFGSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000721921285 711937123 /nfs/dbraw/zinc/93/71/23/711937123.db2.gz XJCHHXPTFYJVBA-FVCCEPFGSA-N 2 1 224.348 1.095 20 0 BDADMP C[N@H+]1CCCC[C@H](CNCc2c[nH]cn2)C1 ZINC000700786885 712005051 /nfs/dbraw/zinc/00/50/51/712005051.db2.gz TXRUSXVCNUKXBT-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000703162658 712067140 /nfs/dbraw/zinc/06/71/40/712067140.db2.gz JLYQLRHLENLJKP-XKGSQUFQSA-N 2 1 212.337 1.081 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000707582534 712175447 /nfs/dbraw/zinc/17/54/47/712175447.db2.gz NDBWLJQVFLVGMV-UPJWGTAASA-N 2 1 226.364 1.200 20 0 BDADMP CC1(C)CO[C@@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000708322244 712186117 /nfs/dbraw/zinc/18/61/17/712186117.db2.gz DVYOIGXRSWTMEX-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000708322244 712186119 /nfs/dbraw/zinc/18/61/19/712186119.db2.gz DVYOIGXRSWTMEX-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713585666 712466228 /nfs/dbraw/zinc/46/62/28/712466228.db2.gz KSMLQNWNSIQRDJ-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCCCC1CC1)C1CC1 ZINC000716383448 712557758 /nfs/dbraw/zinc/55/77/58/712557758.db2.gz BZOTUVZXIDADKS-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCC1CC1)C1CC1 ZINC000716383448 712557759 /nfs/dbraw/zinc/55/77/59/712557759.db2.gz BZOTUVZXIDADKS-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](C)CC1 ZINC000716944978 712598561 /nfs/dbraw/zinc/59/85/61/712598561.db2.gz NWKNWSRJGRGDQT-WDEREUQCSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000717456300 712659000 /nfs/dbraw/zinc/65/90/00/712659000.db2.gz UMTLJOHHISJFNE-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000717456301 712659002 /nfs/dbraw/zinc/65/90/02/712659002.db2.gz UMTLJOHHISJFNE-FRRDWIJNSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)cc[nH+]1 ZINC000719571293 712810596 /nfs/dbraw/zinc/81/05/96/712810596.db2.gz SBVQACKUBZBOGD-CMPLNLGQSA-N 2 1 205.305 1.316 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000719777662 712824404 /nfs/dbraw/zinc/82/44/04/712824404.db2.gz HPFULGVLGHYGEA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000719780188 712824894 /nfs/dbraw/zinc/82/48/94/712824894.db2.gz UUPLATLBOLOFDM-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720161330 712828677 /nfs/dbraw/zinc/82/86/77/712828677.db2.gz CYTPMFVYSWBWGT-STQMWFEESA-N 2 1 240.391 1.779 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720808997 712866880 /nfs/dbraw/zinc/86/68/80/712866880.db2.gz YQTONXHARKNMKX-XHNCKOQMSA-N 2 1 240.269 1.090 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720808997 712866882 /nfs/dbraw/zinc/86/68/82/712866882.db2.gz YQTONXHARKNMKX-XHNCKOQMSA-N 2 1 240.269 1.090 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000381389613 710631609 /nfs/dbraw/zinc/63/16/09/710631609.db2.gz MZYLZUBJAWALIE-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1OCC[N@@H+](CCCCCC[NH3+])[C@@H]1C ZINC000380422783 712900800 /nfs/dbraw/zinc/90/08/00/712900800.db2.gz DBSHMNQOHITQCW-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000723891293 710733351 /nfs/dbraw/zinc/73/33/51/710733351.db2.gz MQLWQDPJVIWPMP-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396716768 710907528 /nfs/dbraw/zinc/90/75/28/710907528.db2.gz UEBIIDMRLFSDES-UTUOFQBUSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382954676 710975627 /nfs/dbraw/zinc/97/56/27/710975627.db2.gz ZJXWDNIKPCTPRC-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382954676 710975630 /nfs/dbraw/zinc/97/56/30/710975630.db2.gz ZJXWDNIKPCTPRC-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000382945705 710975866 /nfs/dbraw/zinc/97/58/66/710975866.db2.gz SCJCZKIDQQJNFZ-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000383874804 710986473 /nfs/dbraw/zinc/98/64/73/710986473.db2.gz BPFBQWDXXTWNKQ-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000383874804 710986474 /nfs/dbraw/zinc/98/64/74/710986474.db2.gz BPFBQWDXXTWNKQ-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP CC/C=C/C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000384743686 710995395 /nfs/dbraw/zinc/99/53/95/710995395.db2.gz MILDLNNLRKNZPQ-IIIFSAJQSA-N 2 1 206.333 1.539 20 0 BDADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC000385419367 711012940 /nfs/dbraw/zinc/01/29/40/711012940.db2.gz XVCQUAMHFIVXPF-NDNKKMJESA-N 2 1 248.374 1.696 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C)c1 ZINC000385419367 711012942 /nfs/dbraw/zinc/01/29/42/711012942.db2.gz XVCQUAMHFIVXPF-NDNKKMJESA-N 2 1 248.374 1.696 20 0 BDADMP CCn1ccnc1C[NH2+]CCC(C)(C)[NH3+] ZINC000385550694 711014327 /nfs/dbraw/zinc/01/43/27/711014327.db2.gz WZQXTCGEMSOMEB-UHFFFAOYSA-N 2 1 210.325 1.120 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000389552609 711080392 /nfs/dbraw/zinc/08/03/92/711080392.db2.gz PNYNUFLOWKQUNB-PMKSJIGOSA-N 2 1 249.402 1.057 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000389552610 711080681 /nfs/dbraw/zinc/08/06/81/711080681.db2.gz PNYNUFLOWKQUNB-UQGHGMQMSA-N 2 1 249.402 1.057 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCCCO)C1 ZINC000389611023 711082457 /nfs/dbraw/zinc/08/24/57/711082457.db2.gz DKRWOJPAWDXNLS-LBPRGKRZSA-N 2 1 214.353 1.210 20 0 BDADMP O=c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc[nH]1 ZINC000392753303 711152006 /nfs/dbraw/zinc/15/20/06/711152006.db2.gz KSNBMYFPTIFMRG-QWHCGFSZSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc[nH]1 ZINC000392753303 711152012 /nfs/dbraw/zinc/15/20/12/711152012.db2.gz KSNBMYFPTIFMRG-QWHCGFSZSA-N 2 1 247.342 1.504 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000396622160 711361641 /nfs/dbraw/zinc/36/16/41/711361641.db2.gz HVRIGPUELPICKZ-RISCZKNCSA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000396589264 711353664 /nfs/dbraw/zinc/35/36/64/711353664.db2.gz BOQVJNIRQSGRSS-QWRGUYRKSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000396594317 711358587 /nfs/dbraw/zinc/35/85/87/711358587.db2.gz KWJYMUBNVVLUMH-OLZOCXBDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)[N@@H+](C)C1CC1 ZINC000396713668 711367149 /nfs/dbraw/zinc/36/71/49/711367149.db2.gz QKQQMLYGQAXFRN-NTZNESFSSA-N 2 1 225.380 1.199 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396716411 711367580 /nfs/dbraw/zinc/36/75/80/711367580.db2.gz RIFCLHWTZZYDRK-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(F)F ZINC000396647654 711362539 /nfs/dbraw/zinc/36/25/39/711362539.db2.gz COQXIOGRCWSKQK-RKDXNWHRSA-N 2 1 206.280 1.762 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000396686233 711364262 /nfs/dbraw/zinc/36/42/62/711364262.db2.gz YHCAMVUJHRIQTE-WYTNZGFTSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000396680937 711364635 /nfs/dbraw/zinc/36/46/35/711364635.db2.gz VVITZNXQIVCNFB-TUAOUCFPSA-N 2 1 210.321 1.409 20 0 BDADMP CC(C)COCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396689086 711365221 /nfs/dbraw/zinc/36/52/21/711365221.db2.gz ZQAMFEGNBYFYKM-QWHCGFSZSA-N 2 1 228.380 1.779 20 0 BDADMP Cc1ncsc1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396724969 711367729 /nfs/dbraw/zinc/36/77/29/711367729.db2.gz VLBGCECONZAXOZ-KOLCDFICSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000397302715 711381262 /nfs/dbraw/zinc/38/12/62/711381262.db2.gz LDRXSKAWULCUKC-MCIONIFRSA-N 2 1 242.407 1.844 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000397708732 711389690 /nfs/dbraw/zinc/38/96/90/711389690.db2.gz OCCYSJWOHKNPJN-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC2CCC1CC2 ZINC000399964088 711437480 /nfs/dbraw/zinc/43/74/80/711437480.db2.gz BYENNLGWFCTTRO-RUXDESIVSA-N 2 1 240.391 1.720 20 0 BDADMP C[N@H+]1CCCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000891438716 711520290 /nfs/dbraw/zinc/52/02/90/711520290.db2.gz RYIXITLJTBCADX-UHFFFAOYSA-N 2 1 240.738 1.459 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000723691950 711534040 /nfs/dbraw/zinc/53/40/40/711534040.db2.gz VWVHUEVYIFWVBW-SNVBAGLBSA-N 2 1 209.293 1.154 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000723877259 711542152 /nfs/dbraw/zinc/54/21/52/711542152.db2.gz SZBTZKIPEURQHQ-DGCLKSJQSA-N 2 1 233.359 1.725 20 0 BDADMP CCc1cnc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723894517 711544084 /nfs/dbraw/zinc/54/40/84/711544084.db2.gz MGAQRTJOGODLEN-GHMZBOCLSA-N 2 1 237.347 1.654 20 0 BDADMP Cc1cn(C)nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000723965945 711548131 /nfs/dbraw/zinc/54/81/31/711548131.db2.gz ZIVOSIVMPDGYBB-AVGNSLFASA-N 2 1 248.374 1.288 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000723965945 711548134 /nfs/dbraw/zinc/54/81/34/711548134.db2.gz ZIVOSIVMPDGYBB-AVGNSLFASA-N 2 1 248.374 1.288 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(C)[nH+]1 ZINC000724791559 711614577 /nfs/dbraw/zinc/61/45/77/711614577.db2.gz YIZDHLBCXFAUTD-ZIAGYGMSSA-N 2 1 248.374 1.695 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(C)[nH+]1 ZINC000724791559 711614581 /nfs/dbraw/zinc/61/45/81/711614581.db2.gz YIZDHLBCXFAUTD-ZIAGYGMSSA-N 2 1 248.374 1.695 20 0 BDADMP CC[NH+](CC)C[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000132334977 711635297 /nfs/dbraw/zinc/63/52/97/711635297.db2.gz LYOOXVBJPRDOHX-JTQLQIEISA-N 2 1 237.351 1.661 20 0 BDADMP C1=C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925712268 711711892 /nfs/dbraw/zinc/71/18/92/711711892.db2.gz QYYGDYCGEXAYLI-RYUDHWBXSA-N 2 1 206.333 1.969 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716028 711712943 /nfs/dbraw/zinc/71/29/43/711712943.db2.gz OGIRRMSIYKWIBA-FRRDWIJNSA-N 3 1 241.423 1.855 20 0 BDADMP CC(C)n1ncnc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125528114 711729709 /nfs/dbraw/zinc/72/97/09/711729709.db2.gz QZDTVYWHNPSYDU-NSHDSACASA-N 2 1 237.351 1.030 20 0 BDADMP CC(C)n1ncnc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125528114 711729710 /nfs/dbraw/zinc/72/97/10/711729710.db2.gz QZDTVYWHNPSYDU-NSHDSACASA-N 2 1 237.351 1.030 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC[C@H]1CCCO1 ZINC000931719503 711748222 /nfs/dbraw/zinc/74/82/22/711748222.db2.gz ATTRPIMAJKESGW-BFHYXJOUSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC[C@H]1CCCO1 ZINC000931719503 711748224 /nfs/dbraw/zinc/74/82/24/711748224.db2.gz ATTRPIMAJKESGW-BFHYXJOUSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC[C@H]1CCCO1 ZINC000931719503 711748226 /nfs/dbraw/zinc/74/82/26/711748226.db2.gz ATTRPIMAJKESGW-BFHYXJOUSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC[C@H]1CCCO1 ZINC000931719503 711748228 /nfs/dbraw/zinc/74/82/28/711748228.db2.gz ATTRPIMAJKESGW-BFHYXJOUSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC[C@@H]1CCCO1 ZINC000931719504 711748497 /nfs/dbraw/zinc/74/84/97/711748497.db2.gz ATTRPIMAJKESGW-MJBXVCDLSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC[C@@H]1CCCO1 ZINC000931719504 711748499 /nfs/dbraw/zinc/74/84/99/711748499.db2.gz ATTRPIMAJKESGW-MJBXVCDLSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC[C@@H]1CCCO1 ZINC000931719504 711748500 /nfs/dbraw/zinc/74/85/00/711748500.db2.gz ATTRPIMAJKESGW-MJBXVCDLSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC[C@@H]1CCCO1 ZINC000931719504 711748502 /nfs/dbraw/zinc/74/85/02/711748502.db2.gz ATTRPIMAJKESGW-MJBXVCDLSA-N 2 1 238.375 1.724 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875452 711761607 /nfs/dbraw/zinc/76/16/07/711761607.db2.gz HKZBKSFZQKSYKA-IEBDPFPHSA-N 2 1 222.336 1.496 20 0 BDADMP c1ccc2c(c1)CCO[C@H]2CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000925879583 711762149 /nfs/dbraw/zinc/76/21/49/711762149.db2.gz ABLVSHYPIHZQJM-HIFRSBDPSA-N 2 1 246.354 1.642 20 0 BDADMP CN1CC[C@@H]2C[N@H+](CCC(=O)C3CC3)CC[C@@H]21 ZINC000879581619 711770797 /nfs/dbraw/zinc/77/07/97/711770797.db2.gz MYWICYRADYTQNW-OLZOCXBDSA-N 2 1 236.359 1.382 20 0 BDADMP CN1CC[C@@H]2C[N@@H+](CCC(=O)C3CC3)CC[C@@H]21 ZINC000879581619 711770798 /nfs/dbraw/zinc/77/07/98/711770798.db2.gz MYWICYRADYTQNW-OLZOCXBDSA-N 2 1 236.359 1.382 20 0 BDADMP CCOC(CC[NH2+]C1CC[NH+](C)CC1)OCC ZINC000160191585 711805975 /nfs/dbraw/zinc/80/59/75/711805975.db2.gz VYYLMPICYDWYIU-UHFFFAOYSA-N 2 1 244.379 1.459 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925473662 711878688 /nfs/dbraw/zinc/87/86/88/711878688.db2.gz NWXRYPJMMRHPPA-STQMWFEESA-N 3 1 248.374 1.441 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](COC)C(C)C ZINC000721913694 711918183 /nfs/dbraw/zinc/91/81/83/711918183.db2.gz PNDKXAUZESOYRG-QWHCGFSZSA-N 2 1 228.380 1.589 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000700631845 712003924 /nfs/dbraw/zinc/00/39/24/712003924.db2.gz UXNVBYVDCUJYAR-SNVBAGLBSA-N 2 1 225.361 1.622 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000700793549 712005354 /nfs/dbraw/zinc/00/53/54/712005354.db2.gz RQJOFLPLRWJURF-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700809699 712006638 /nfs/dbraw/zinc/00/66/38/712006638.db2.gz RPTXOZKLEDBXLQ-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CCO[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000701674963 712026966 /nfs/dbraw/zinc/02/69/66/712026966.db2.gz WTSCYBBSVJBQDM-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000702076682 712037983 /nfs/dbraw/zinc/03/79/83/712037983.db2.gz FKNSXCFWUMYXKF-QNWHQSFQSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOc1ccccc1)C2 ZINC000702105251 712038777 /nfs/dbraw/zinc/03/87/77/712038777.db2.gz YFKDOXZNKVLLNC-DZGCQCFKSA-N 2 1 246.354 1.607 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1ccccc1)C2 ZINC000702105251 712038779 /nfs/dbraw/zinc/03/87/79/712038779.db2.gz YFKDOXZNKVLLNC-DZGCQCFKSA-N 2 1 246.354 1.607 20 0 BDADMP CCC(CC)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119736 712039525 /nfs/dbraw/zinc/03/95/25/712039525.db2.gz HJTXLWFFDPWGNK-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H](O)CCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702284222 712044995 /nfs/dbraw/zinc/04/49/95/712044995.db2.gz GVLYLCHDPGJTKM-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)CCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702284222 712044996 /nfs/dbraw/zinc/04/49/96/712044996.db2.gz GVLYLCHDPGJTKM-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)CCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702284222 712044998 /nfs/dbraw/zinc/04/49/98/712044998.db2.gz GVLYLCHDPGJTKM-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc2cnccc2c1 ZINC000702763527 712060809 /nfs/dbraw/zinc/06/08/09/712060809.db2.gz FYLVSSSPOUXKOQ-JTQLQIEISA-N 2 1 215.300 1.672 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)CC[N@@H+]1C ZINC000703018635 712065228 /nfs/dbraw/zinc/06/52/28/712065228.db2.gz YIBSFZMXQKALDG-RJZJGCCBSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)CC[N@H+]1C ZINC000703018635 712065229 /nfs/dbraw/zinc/06/52/29/712065229.db2.gz YIBSFZMXQKALDG-RJZJGCCBSA-N 2 1 240.391 1.752 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(C)(O)CC1 ZINC000703025358 712065263 /nfs/dbraw/zinc/06/52/63/712065263.db2.gz VNAULXVBLAGERC-UHFFFAOYSA-N 2 1 242.407 2.000 20 0 BDADMP COC1CC(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)C1 ZINC000703296884 712071384 /nfs/dbraw/zinc/07/13/84/712071384.db2.gz BQECTJHTKGLTDD-CPCZMJQVSA-N 2 1 226.364 1.485 20 0 BDADMP COC1CC(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000703390576 712075083 /nfs/dbraw/zinc/07/50/83/712075083.db2.gz QCRJBFAYCGKKMU-WXRRBKDZSA-N 2 1 228.380 1.717 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC(OC)C2)C1 ZINC000703867405 712091655 /nfs/dbraw/zinc/09/16/55/712091655.db2.gz WTLMJUDEUHDGMF-HIFPTAJRSA-N 2 1 226.364 1.343 20 0 BDADMP COc1cncc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000704207345 712101385 /nfs/dbraw/zinc/10/13/85/712101385.db2.gz MJBVIELFZYJIIE-YPMHNXCESA-N 2 1 249.358 1.663 20 0 BDADMP COc1cncc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000704207345 712101386 /nfs/dbraw/zinc/10/13/86/712101386.db2.gz MJBVIELFZYJIIE-YPMHNXCESA-N 2 1 249.358 1.663 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC000706988425 712164355 /nfs/dbraw/zinc/16/43/55/712164355.db2.gz QMTYYTSCSOYZQN-LFAHVKQVSA-N 3 1 249.402 1.010 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC000706988425 712164356 /nfs/dbraw/zinc/16/43/56/712164356.db2.gz QMTYYTSCSOYZQN-LFAHVKQVSA-N 3 1 249.402 1.010 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC000706988425 712164357 /nfs/dbraw/zinc/16/43/57/712164357.db2.gz QMTYYTSCSOYZQN-LFAHVKQVSA-N 3 1 249.402 1.010 20 0 BDADMP CN1C[C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC000706988425 712164358 /nfs/dbraw/zinc/16/43/58/712164358.db2.gz QMTYYTSCSOYZQN-LFAHVKQVSA-N 2 1 249.402 1.010 20 0 BDADMP CN1C[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC000706988425 712164359 /nfs/dbraw/zinc/16/43/59/712164359.db2.gz QMTYYTSCSOYZQN-LFAHVKQVSA-N 2 1 249.402 1.010 20 0 BDADMP C[N@@H+](CCn1cccn1)C[C@]1(C)CCC[NH2+]C1 ZINC000707397415 712170335 /nfs/dbraw/zinc/17/03/35/712170335.db2.gz VSDFBKHTJMVFFZ-CYBMUJFWSA-N 2 1 236.363 1.205 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)[C@H]1C[NH3+] ZINC000708321847 712186635 /nfs/dbraw/zinc/18/66/35/712186635.db2.gz AQNIBZMNBJAWJR-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)[C@H]1C[NH3+] ZINC000708321847 712186636 /nfs/dbraw/zinc/18/66/36/712186636.db2.gz AQNIBZMNBJAWJR-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000708679286 712196063 /nfs/dbraw/zinc/19/60/63/712196063.db2.gz DXINWFGVKJIKPY-WYUUTHIRSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000708861261 712201343 /nfs/dbraw/zinc/20/13/43/712201343.db2.gz GKFJXWDIRRPLME-VXGBXAGGSA-N 2 1 214.353 1.066 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000708898451 712203543 /nfs/dbraw/zinc/20/35/43/712203543.db2.gz LTLYUASTFWZETL-TUAOUCFPSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H](O)CCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709772389 712220985 /nfs/dbraw/zinc/22/09/85/712220985.db2.gz IWOUACCEHIFKDG-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[N@@H+](C3CC3)C1)[NH2+]2 ZINC000709487732 712222830 /nfs/dbraw/zinc/22/28/30/712222830.db2.gz BRFSBNGTNKGYDP-CYHVGBIXSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[N@H+](C3CC3)C1)[NH2+]2 ZINC000709487732 712222833 /nfs/dbraw/zinc/22/28/33/712222833.db2.gz BRFSBNGTNKGYDP-CYHVGBIXSA-N 2 1 249.402 1.342 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000709823591 712228649 /nfs/dbraw/zinc/22/86/49/712228649.db2.gz PYRHQTHBAOSFJA-IHRRRGAJSA-N 2 1 216.328 1.998 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CCCO1)C2 ZINC000709828353 712228733 /nfs/dbraw/zinc/22/87/33/712228733.db2.gz UVODKOZETDKPGE-ZDEQEGDKSA-N 2 1 224.348 1.367 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000709892627 712231113 /nfs/dbraw/zinc/23/11/13/712231113.db2.gz NSBQTRIWCRLVKB-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP CCOC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710704686 712255056 /nfs/dbraw/zinc/25/50/56/712255056.db2.gz CTPMSSFLBWVIQA-NSHDSACASA-N 2 1 230.352 1.389 20 0 BDADMP Cn1nccc1CC[N@@H+](C)CCCCCC[NH3+] ZINC000710714969 712255273 /nfs/dbraw/zinc/25/52/73/712255273.db2.gz WVXCVNQHWFWIMG-UHFFFAOYSA-N 2 1 238.379 1.414 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+](C)CCCCCC[NH3+] ZINC000710714766 712255895 /nfs/dbraw/zinc/25/58/95/712255895.db2.gz USLRJRZEDPZUPK-GFCCVEGCSA-N 2 1 236.363 1.989 20 0 BDADMP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000710956384 712267874 /nfs/dbraw/zinc/26/78/74/712267874.db2.gz FORYRNSRRPEXPP-NEPJUHHUSA-N 2 1 242.363 1.069 20 0 BDADMP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000710956384 712267875 /nfs/dbraw/zinc/26/78/75/712267875.db2.gz FORYRNSRRPEXPP-NEPJUHHUSA-N 2 1 242.363 1.069 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](CF)C1 ZINC000711449887 712301492 /nfs/dbraw/zinc/30/14/92/712301492.db2.gz IJGJTRZEFKKTEX-OLZOCXBDSA-N 2 1 244.354 1.125 20 0 BDADMP CC[C@H]1C[N@@H+](CCOC2CC2)CC[C@@H]1[NH3+] ZINC000711731112 712320018 /nfs/dbraw/zinc/32/00/18/712320018.db2.gz MAERFDKLNGBMDP-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@@H+]1CCCCCC[NH3+] ZINC000923434914 712322643 /nfs/dbraw/zinc/32/26/43/712322643.db2.gz CJIAHTVVLPEDHP-FRRDWIJNSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCCCCC[NH3+] ZINC000923434914 712322645 /nfs/dbraw/zinc/32/26/45/712322645.db2.gz CJIAHTVVLPEDHP-FRRDWIJNSA-N 2 1 227.396 1.576 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000923479007 712334771 /nfs/dbraw/zinc/33/47/71/712334771.db2.gz LHOKYHCRADDGEW-SNVBAGLBSA-N 2 1 235.331 1.723 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000379787013 712398761 /nfs/dbraw/zinc/39/87/61/712398761.db2.gz IENXQESMUOOYPU-JVGWCMFKSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2CC[NH2+]CCC23CCC3)O1 ZINC000713209542 712455276 /nfs/dbraw/zinc/45/52/76/712455276.db2.gz CIKWYQYNKAOPDM-STQMWFEESA-N 2 1 238.375 1.772 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](CCCOC(F)(F)F)C1 ZINC000713398450 712458981 /nfs/dbraw/zinc/45/89/81/712458981.db2.gz KROYSDAAILCNNA-VIFPVBQESA-N 2 1 240.269 1.584 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCOC(F)(F)F)C1 ZINC000713398450 712458983 /nfs/dbraw/zinc/45/89/83/712458983.db2.gz KROYSDAAILCNNA-VIFPVBQESA-N 2 1 240.269 1.584 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000713428023 712459512 /nfs/dbraw/zinc/45/95/12/712459512.db2.gz CXFZEKILGPYDBG-VIFPVBQESA-N 2 1 240.269 1.584 20 0 BDADMP C[N@@H+](C[C@@H]1CCC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000713584457 712466116 /nfs/dbraw/zinc/46/61/16/712466116.db2.gz FUNOEYPCBLRWJF-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)OC1 ZINC000713597979 712466396 /nfs/dbraw/zinc/46/63/96/712466396.db2.gz XFJLLBSZHJKWCM-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP C=C/C=C/CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000713759796 712471767 /nfs/dbraw/zinc/47/17/67/712471767.db2.gz TZBKZDHTVLDSJB-AAOUONPWSA-N 2 1 210.321 1.168 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCC(C)(C)O1 ZINC000714332614 712482286 /nfs/dbraw/zinc/48/22/86/712482286.db2.gz ZRYSPPROGLGFOY-GFCCVEGCSA-N 2 1 244.379 1.241 20 0 BDADMP CCCn1cc(CNCC2=CC[N@@H+](C)CC2)nn1 ZINC000714413604 712485847 /nfs/dbraw/zinc/48/58/47/712485847.db2.gz BDJMZFGSMDPAON-UHFFFAOYSA-N 2 1 249.362 1.040 20 0 BDADMP CCCn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)nn1 ZINC000714413604 712485848 /nfs/dbraw/zinc/48/58/48/712485848.db2.gz BDJMZFGSMDPAON-UHFFFAOYSA-N 2 1 249.362 1.040 20 0 BDADMP CCCn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)nn1 ZINC000714413604 712485850 /nfs/dbraw/zinc/48/58/50/712485850.db2.gz BDJMZFGSMDPAON-UHFFFAOYSA-N 2 1 249.362 1.040 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000715464196 712519927 /nfs/dbraw/zinc/51/99/27/712519927.db2.gz ZQWIJKHFHGNCAQ-AOOOYVTPSA-N 2 1 216.275 1.183 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715509178 712524759 /nfs/dbraw/zinc/52/47/59/712524759.db2.gz MIUQNUNEVZQLKV-UBHSHLNASA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]([NH2+]CCC1(C)OCCO1)[C@@H]1CCCC[NH2+]1 ZINC000716002392 712552120 /nfs/dbraw/zinc/55/21/20/712552120.db2.gz ZCVITBJFUHWVNH-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP Cc1[nH]nc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000716459876 712562666 /nfs/dbraw/zinc/56/26/66/712562666.db2.gz BOQRVFNLLRGZCV-OLZOCXBDSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1[nH]nc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000716459876 712562668 /nfs/dbraw/zinc/56/26/68/712562668.db2.gz BOQRVFNLLRGZCV-OLZOCXBDSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000716459876 712562669 /nfs/dbraw/zinc/56/26/69/712562669.db2.gz BOQRVFNLLRGZCV-OLZOCXBDSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000716459876 712562671 /nfs/dbraw/zinc/56/26/71/712562671.db2.gz BOQRVFNLLRGZCV-OLZOCXBDSA-N 2 1 248.374 1.743 20 0 BDADMP C[N@@H+](CCCF)C[C@]1(C)CCC[NH2+]C1 ZINC000716754730 712572487 /nfs/dbraw/zinc/57/24/87/712572487.db2.gz VXLDGKOVBYRILU-LLVKDONJSA-N 2 1 202.317 1.668 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000716803541 712575353 /nfs/dbraw/zinc/57/53/53/712575353.db2.gz VKHYKZLQQJTJFO-YVECIDJPSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000716803541 712575354 /nfs/dbraw/zinc/57/53/54/712575354.db2.gz VKHYKZLQQJTJFO-YVECIDJPSA-N 2 1 228.380 1.608 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925492977 712619235 /nfs/dbraw/zinc/61/92/35/712619235.db2.gz JAOMISTWWJZAJL-CQSZACIVSA-N 2 1 248.370 1.968 20 0 BDADMP C1CC1[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925495706 712698618 /nfs/dbraw/zinc/69/86/18/712698618.db2.gz NGHNQCLHGOSVHA-TZMCWYRMSA-N 2 1 249.402 1.487 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000717922908 712733649 /nfs/dbraw/zinc/73/36/49/712733649.db2.gz NWBIXSVGGSETND-RNJOBUHISA-N 2 1 226.364 1.613 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC=CCC1)C1CC1 ZINC000718065464 712741518 /nfs/dbraw/zinc/74/15/18/712741518.db2.gz AEIKMQPBOZGSOO-AWEZNQCLSA-N 2 1 238.375 1.530 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC=CCC1)C1CC1 ZINC000718065464 712741520 /nfs/dbraw/zinc/74/15/20/712741520.db2.gz AEIKMQPBOZGSOO-AWEZNQCLSA-N 2 1 238.375 1.530 20 0 BDADMP COCC(C)(C)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000718765479 712781873 /nfs/dbraw/zinc/78/18/73/712781873.db2.gz USUNCXWFBZEDNK-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC000719620160 712817087 /nfs/dbraw/zinc/81/70/87/712817087.db2.gz VEWMMZWNKFZYGI-JWURUJNWSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000719620160 712817088 /nfs/dbraw/zinc/81/70/88/712817088.db2.gz VEWMMZWNKFZYGI-JWURUJNWSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000719620160 712817089 /nfs/dbraw/zinc/81/70/89/712817089.db2.gz VEWMMZWNKFZYGI-JWURUJNWSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC000719620160 712817090 /nfs/dbraw/zinc/81/70/90/712817090.db2.gz VEWMMZWNKFZYGI-JWURUJNWSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC000719620160 712817091 /nfs/dbraw/zinc/81/70/91/712817091.db2.gz VEWMMZWNKFZYGI-JWURUJNWSA-N 2 1 237.391 1.294 20 0 BDADMP Cc1conc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000720383924 712837665 /nfs/dbraw/zinc/83/76/65/712837665.db2.gz FEDMKASYEHJTHR-CYBMUJFWSA-N 2 1 249.358 1.947 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720754985 712863686 /nfs/dbraw/zinc/86/36/86/712863686.db2.gz HOHIVOKHQKHSAF-GFCCVEGCSA-N 2 1 246.354 1.792 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720844849 712869573 /nfs/dbraw/zinc/86/95/73/712869573.db2.gz IDGVXDUHFPIKHR-UBHSHLNASA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC2)C[C@H]1C(F)(F)F ZINC000720874699 712872649 /nfs/dbraw/zinc/87/26/49/712872649.db2.gz ZDAWAWPBVWRCHG-VHSXEESVSA-N 2 1 236.281 1.856 20 0 BDADMP COCCCC[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001209220354 957363014 /nfs/dbraw/zinc/36/30/14/957363014.db2.gz ZHHNFBWUNYLZDS-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001209220354 957363022 /nfs/dbraw/zinc/36/30/22/957363022.db2.gz ZHHNFBWUNYLZDS-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCOC1 ZINC000693578395 958868730 /nfs/dbraw/zinc/86/87/30/958868730.db2.gz LIGLQLLNRNDLOL-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCC1(F)F ZINC000708501076 959525680 /nfs/dbraw/zinc/52/56/80/959525680.db2.gz AWODCCGLOKSNFO-GHMZBOCLSA-N 2 1 248.317 1.329 20 0 BDADMP CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309377641 959898343 /nfs/dbraw/zinc/89/83/43/959898343.db2.gz GBAAKEUKADEIHS-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309377641 959898351 /nfs/dbraw/zinc/89/83/51/959898351.db2.gz GBAAKEUKADEIHS-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000695656303 960326968 /nfs/dbraw/zinc/32/69/68/960326968.db2.gz PTWFFPKEUKSZBZ-VIFPVBQESA-N 2 1 227.739 1.941 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001204763234 963371278 /nfs/dbraw/zinc/37/12/78/963371278.db2.gz IKCHKUQWEBHGJO-QNWHQSFQSA-N 2 1 206.333 1.622 20 0 BDADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1O ZINC001168314468 964418806 /nfs/dbraw/zinc/41/88/06/964418806.db2.gz LZAXQEVCZIUPLV-WTIISPKJSA-N 2 1 226.364 1.172 20 0 BDADMP Cc1ccncc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697888619 964637397 /nfs/dbraw/zinc/63/73/97/964637397.db2.gz PEZYMJDUEBDHLE-GFCCVEGCSA-N 2 1 221.348 1.820 20 0 BDADMP COC(=[NH2+])c1cccc(NCC[NH+](C)C)c1 ZINC001161671236 964678329 /nfs/dbraw/zinc/67/83/29/964678329.db2.gz LQGDMFXQNQISRF-UHFFFAOYSA-N 2 1 221.304 1.632 20 0 BDADMP CN(C)c1cccc(N(C)CC[NH+](C)C)[nH+]1 ZINC001163590306 965467050 /nfs/dbraw/zinc/46/70/50/965467050.db2.gz ZNGZMVDLGHNFTR-UHFFFAOYSA-N 2 1 222.336 1.145 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204599271 967097572 /nfs/dbraw/zinc/09/75/72/967097572.db2.gz VKXWOYRCCFYZTO-QWRGUYRKSA-N 2 1 212.337 1.585 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(CO)o2)CC1 ZINC001205110311 967361847 /nfs/dbraw/zinc/36/18/47/967361847.db2.gz RVXROLIIIGZCAA-JTQLQIEISA-N 2 1 224.304 1.085 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(CO)o2)CC1 ZINC001205110311 967361854 /nfs/dbraw/zinc/36/18/54/967361854.db2.gz RVXROLIIIGZCAA-JTQLQIEISA-N 2 1 224.304 1.085 20 0 BDADMP COCCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255873 967442959 /nfs/dbraw/zinc/44/29/59/967442959.db2.gz MLYANGGLGNYTBH-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001205257907 967452214 /nfs/dbraw/zinc/45/22/14/967452214.db2.gz YLZFHGDKSMIGON-CQSZACIVSA-N 3 1 239.407 1.532 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)[nH]n1 ZINC001205545522 967691140 /nfs/dbraw/zinc/69/11/40/967691140.db2.gz IWIWQVDGPAPBNY-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)n[nH]1 ZINC001205545522 967691168 /nfs/dbraw/zinc/69/11/68/967691168.db2.gz IWIWQVDGPAPBNY-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)n[nH]1 ZINC001205545522 967691179 /nfs/dbraw/zinc/69/11/79/967691179.db2.gz IWIWQVDGPAPBNY-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001206607256 968413500 /nfs/dbraw/zinc/41/35/00/968413500.db2.gz YRUCPCFPFTYVLN-CHWSQXEVSA-N 2 1 224.348 1.740 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001252120000 968604966 /nfs/dbraw/zinc/60/49/66/968604966.db2.gz LGJTUGJBNWEJIG-AVGNSLFASA-N 2 1 228.380 1.467 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001252120001 968606498 /nfs/dbraw/zinc/60/64/98/968606498.db2.gz LGJTUGJBNWEJIG-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP CCN(CC)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207392031 968748132 /nfs/dbraw/zinc/74/81/32/968748132.db2.gz UFVGFLDVALPKHA-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CC[NH+](CC)CCN(C)CC1CC[NH+](C)CC1 ZINC001207392031 968748137 /nfs/dbraw/zinc/74/81/37/968748137.db2.gz UFVGFLDVALPKHA-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CCCO[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207398524 968752061 /nfs/dbraw/zinc/75/20/61/968752061.db2.gz XAVMABZEKCAPTN-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC001207436839 968768227 /nfs/dbraw/zinc/76/82/27/968768227.db2.gz RTPWFCCJGCCRGT-VXGBXAGGSA-N 2 1 232.318 1.758 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001207483851 968798490 /nfs/dbraw/zinc/79/84/90/968798490.db2.gz IOFHMUZXCKOYIM-STQMWFEESA-N 2 1 224.348 1.191 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CC[C@H]1O ZINC001207479965 968799080 /nfs/dbraw/zinc/79/90/80/968799080.db2.gz QVCTWIATSPIKSJ-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001252804326 968991164 /nfs/dbraw/zinc/99/11/64/968991164.db2.gz KUXNDSLVNTYUDD-CRWXNKLISA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CC[C@H]1O ZINC001208107053 968998611 /nfs/dbraw/zinc/99/86/11/968998611.db2.gz IXDVPQDIJWMULV-CHWSQXEVSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CCCO1 ZINC001208105630 969001178 /nfs/dbraw/zinc/00/11/78/969001178.db2.gz APHWJDQPNVWYEA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H]1COCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208598066 969148265 /nfs/dbraw/zinc/14/82/65/969148265.db2.gz RZVVPJPDDYPEFG-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001208593142 969151731 /nfs/dbraw/zinc/15/17/31/969151731.db2.gz OJWQLZZHNAMIPM-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208613446 969172878 /nfs/dbraw/zinc/17/28/78/969172878.db2.gz UGJZPRXRUDXUAP-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208613446 969172881 /nfs/dbraw/zinc/17/28/81/969172881.db2.gz UGJZPRXRUDXUAP-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208613446 969172884 /nfs/dbraw/zinc/17/28/84/969172884.db2.gz UGJZPRXRUDXUAP-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCOCCC[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001209032715 969327897 /nfs/dbraw/zinc/32/78/97/969327897.db2.gz UDVCPPHVHWYSGT-QWHCGFSZSA-N 2 1 242.363 1.023 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)CO)C2 ZINC001169081554 969405015 /nfs/dbraw/zinc/40/50/15/969405015.db2.gz SUQRWIABARGRIP-ZSBIGDGJSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H](C[NH3+])CN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110522 969448048 /nfs/dbraw/zinc/44/80/48/969448048.db2.gz MANUGRIDDQCYCI-WUHRBBMRSA-N 2 1 225.380 1.138 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108067 969449143 /nfs/dbraw/zinc/44/91/43/969449143.db2.gz NVIRNDQFIWXJMK-CLLJXQQHSA-N 2 1 238.375 1.959 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(C)(C)C(C)(C)[NH3+])C2 ZINC001169109920 969445958 /nfs/dbraw/zinc/44/59/58/969445958.db2.gz JRYJFATUXQNWDC-CNDDSTCGSA-N 2 1 239.407 1.717 20 0 BDADMP CC[NH+]1CCC([NH2+]C2(C)CCOCC2)CC1 ZINC001169219733 969486297 /nfs/dbraw/zinc/48/62/97/969486297.db2.gz IVDOLMBZFCYQEY-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CC3(COC3)C2)CC1 ZINC001169225288 969493671 /nfs/dbraw/zinc/49/36/71/969493671.db2.gz QWGCNZNFQAITIJ-UHFFFAOYSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001254515697 969686930 /nfs/dbraw/zinc/68/69/30/969686930.db2.gz AZOZPRRXHWTLDN-YNEHKIRRSA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001254515697 969686935 /nfs/dbraw/zinc/68/69/35/969686935.db2.gz AZOZPRRXHWTLDN-YNEHKIRRSA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001254515697 969686946 /nfs/dbraw/zinc/68/69/46/969686946.db2.gz AZOZPRRXHWTLDN-YNEHKIRRSA-N 2 1 244.354 1.266 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC(C3COC3)C2)CC1 ZINC001254516990 969695742 /nfs/dbraw/zinc/69/57/42/969695742.db2.gz QTXWZSDHXOCOAF-ZDUSSCGKSA-N 2 1 224.348 1.049 20 0 BDADMP COC[C@@H]1CCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517838 969697110 /nfs/dbraw/zinc/69/71/10/969697110.db2.gz ZAJFAUBPJUXLDG-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@@H]1CCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254517838 969697115 /nfs/dbraw/zinc/69/71/15/969697115.db2.gz ZAJFAUBPJUXLDG-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@@H]1CCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254517838 969697120 /nfs/dbraw/zinc/69/71/20/969697120.db2.gz ZAJFAUBPJUXLDG-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001254518105 969698293 /nfs/dbraw/zinc/69/82/93/969698293.db2.gz ATHJEMQQSJCTMP-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001254518105 969698304 /nfs/dbraw/zinc/69/83/04/969698304.db2.gz ATHJEMQQSJCTMP-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001254518105 969698325 /nfs/dbraw/zinc/69/83/25/969698325.db2.gz ATHJEMQQSJCTMP-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254525834 969718235 /nfs/dbraw/zinc/71/82/35/969718235.db2.gz NFWCCIDMRWPJJI-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254525834 969718245 /nfs/dbraw/zinc/71/82/45/969718245.db2.gz NFWCCIDMRWPJJI-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254525834 969718255 /nfs/dbraw/zinc/71/82/55/969718255.db2.gz NFWCCIDMRWPJJI-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254525834 969718267 /nfs/dbraw/zinc/71/82/67/969718267.db2.gz NFWCCIDMRWPJJI-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCSCC3)C2)C1 ZINC001255094027 969932722 /nfs/dbraw/zinc/93/27/22/969932722.db2.gz KVPYHBWRTOEYCW-CYBMUJFWSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCSCC3)C2)C1 ZINC001255094027 969932731 /nfs/dbraw/zinc/93/27/31/969932731.db2.gz KVPYHBWRTOEYCW-CYBMUJFWSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCSCC3)C2)C1 ZINC001255094027 969932738 /nfs/dbraw/zinc/93/27/38/969932738.db2.gz KVPYHBWRTOEYCW-CYBMUJFWSA-N 2 1 240.416 1.910 20 0 BDADMP CN(c1cccn2cc[nH+]c12)C(C)(C)C[NH3+] ZINC001170058760 970109408 /nfs/dbraw/zinc/10/94/08/970109408.db2.gz DZLQVXHXTASYLT-UHFFFAOYSA-N 2 1 218.304 1.508 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@H]1CCC[NH+](C)C1 ZINC001255470326 970199551 /nfs/dbraw/zinc/19/95/51/970199551.db2.gz KWPPMKYGPULJPP-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCCN[C@H]1CCC[N@H+](C)C1 ZINC001255470326 970199559 /nfs/dbraw/zinc/19/95/59/970199559.db2.gz KWPPMKYGPULJPP-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCCN[C@H]1CCC[N@@H+](C)C1 ZINC001255470326 970199566 /nfs/dbraw/zinc/19/95/66/970199566.db2.gz KWPPMKYGPULJPP-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[N@H+](C)CCC[NH2+][C@H]1CCCN(C)C1 ZINC001255470326 970199575 /nfs/dbraw/zinc/19/95/75/970199575.db2.gz KWPPMKYGPULJPP-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCCN(C)C1 ZINC001255470326 970199587 /nfs/dbraw/zinc/19/95/87/970199587.db2.gz KWPPMKYGPULJPP-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(O)CC1 ZINC001255955192 970590973 /nfs/dbraw/zinc/59/09/73/970590973.db2.gz QAHMKFJNZALOAR-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1C[C@H]([N@@H+](C)C2CCN(C)CC2)CCO1 ZINC001170202314 970596523 /nfs/dbraw/zinc/59/65/23/970596523.db2.gz GEAGPPZERLPWLO-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001255957081 970598474 /nfs/dbraw/zinc/59/84/74/970598474.db2.gz ORXOGGABIHNRAR-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](OC)C1 ZINC001255957018 970598502 /nfs/dbraw/zinc/59/85/02/970598502.db2.gz OAIDQBJTRNQGQP-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@H](O)C1 ZINC001255958142 970598680 /nfs/dbraw/zinc/59/86/80/970598680.db2.gz YSSYQWFNOYQQHY-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)[C@@H]1CCOC1 ZINC001255964416 970601538 /nfs/dbraw/zinc/60/15/38/970601538.db2.gz SAZXTUJMYBUWLG-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCC(=O)NC ZINC001255960218 970604218 /nfs/dbraw/zinc/60/42/18/970604218.db2.gz FXXDKMOBDLLECA-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(C)C ZINC001170235081 970609773 /nfs/dbraw/zinc/60/97/73/970609773.db2.gz XLMHGKFMRKSVSP-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000400630450 970613042 /nfs/dbraw/zinc/61/30/42/970613042.db2.gz RKGMKALYWOSQSK-NWDGAFQWSA-N 2 1 212.337 1.084 20 0 BDADMP CCOC(=O)CC(C)(C)[NH2+]C1CC[NH+](C)CC1 ZINC001256194821 970691636 /nfs/dbraw/zinc/69/16/36/970691636.db2.gz PTASEHSLLLSZGH-UHFFFAOYSA-N 2 1 242.363 1.402 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001256208693 970714697 /nfs/dbraw/zinc/71/46/97/970714697.db2.gz MVDVLHBVTRHCLM-CYBMUJFWSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001256208693 970714699 /nfs/dbraw/zinc/71/46/99/970714699.db2.gz MVDVLHBVTRHCLM-CYBMUJFWSA-N 2 1 224.348 1.336 20 0 BDADMP CCSC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173312378 975224544 /nfs/dbraw/zinc/22/45/44/975224544.db2.gz TWBWFYXDFRALEH-SDDRHHMPSA-N 2 1 228.405 1.621 20 0 BDADMP CCSC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173312378 975224551 /nfs/dbraw/zinc/22/45/51/975224551.db2.gz TWBWFYXDFRALEH-SDDRHHMPSA-N 2 1 228.405 1.621 20 0 BDADMP CCOC(=O)C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC001335284603 976924440 /nfs/dbraw/zinc/92/44/40/976924440.db2.gz FEYZDKLFTDVNNM-TUAOUCFPSA-N 2 1 240.347 1.141 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001336169869 977548445 /nfs/dbraw/zinc/54/84/45/977548445.db2.gz IFJQFGIMHAINDN-MGCOHNPYSA-N 2 1 222.336 1.287 20 0 BDADMP CC(C)OCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277658206 978044850 /nfs/dbraw/zinc/04/48/50/978044850.db2.gz OSNYEUYAQANIMK-OKILXGFUSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)OCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277658206 978044855 /nfs/dbraw/zinc/04/48/55/978044855.db2.gz OSNYEUYAQANIMK-OKILXGFUSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)OCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277658206 978044862 /nfs/dbraw/zinc/04/48/62/978044862.db2.gz OSNYEUYAQANIMK-OKILXGFUSA-N 2 1 240.391 1.685 20 0 BDADMP CCc1[nH]c(CN2C[C@H]([NH3+])C[C@H](F)C2)c(C)[nH+]1 ZINC001206404523 978785265 /nfs/dbraw/zinc/78/52/65/978785265.db2.gz LTPRPEUXQKRICT-VHSXEESVSA-N 2 1 240.326 1.152 20 0 BDADMP CCOCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277856907 978836317 /nfs/dbraw/zinc/83/63/17/978836317.db2.gz XOFPXBPNUHVQLM-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCCOC)CC1 ZINC001180257488 978849765 /nfs/dbraw/zinc/84/97/65/978849765.db2.gz DMEFVIHGJSTVEC-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@@H](N)C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151324 978980686 /nfs/dbraw/zinc/98/06/86/978980686.db2.gz GEIBBWIYYJAJNH-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH3+])CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151324 978980691 /nfs/dbraw/zinc/98/06/91/978980691.db2.gz GEIBBWIYYJAJNH-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1CC(OC)C1 ZINC001181586869 979183155 /nfs/dbraw/zinc/18/31/55/979183155.db2.gz DUPXSNUZFYYIKK-MOKVOYLWSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1CC(OC)C1 ZINC001181586869 979183146 /nfs/dbraw/zinc/18/31/46/979183146.db2.gz DUPXSNUZFYYIKK-MOKVOYLWSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCc1cccs1)C2 ZINC001235981942 979261801 /nfs/dbraw/zinc/26/18/01/979261801.db2.gz YTHXTMGTBJRFLD-ZYHUDNBSSA-N 2 1 222.357 1.714 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCc1cccs1)C2 ZINC001235981942 979261808 /nfs/dbraw/zinc/26/18/08/979261808.db2.gz YTHXTMGTBJRFLD-ZYHUDNBSSA-N 2 1 222.357 1.714 20 0 BDADMP CCC[C@H]1CN(CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001236177027 979436212 /nfs/dbraw/zinc/43/62/12/979436212.db2.gz PXZMPJOJCPZDAW-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222063 979455546 /nfs/dbraw/zinc/45/55/46/979455546.db2.gz KQLZFLKKMLORON-MGPQQGTHSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236414116 979586364 /nfs/dbraw/zinc/58/63/64/979586364.db2.gz JSOYFHZBKPLADY-WCQYABFASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@H]([NH3+])CCCN1CCC1CC[NH2+]CC1 ZINC001236414116 979586368 /nfs/dbraw/zinc/58/63/68/979586368.db2.gz JSOYFHZBKPLADY-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@H](N)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236414116 979586374 /nfs/dbraw/zinc/58/63/74/979586374.db2.gz JSOYFHZBKPLADY-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@H](N)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236414116 979586382 /nfs/dbraw/zinc/58/63/82/979586382.db2.gz JSOYFHZBKPLADY-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)n1C ZINC001205264036 979812475 /nfs/dbraw/zinc/81/24/75/979812475.db2.gz GYMVPXPIYDGITF-CYBMUJFWSA-N 2 1 236.363 1.432 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1C ZINC001205264036 979812477 /nfs/dbraw/zinc/81/24/77/979812477.db2.gz GYMVPXPIYDGITF-CYBMUJFWSA-N 2 1 236.363 1.432 20 0 BDADMP CC1(C[N@@H+]2C[C@H]([NH3+])C3(COC3)C2)CCCCC1 ZINC001237177055 979829368 /nfs/dbraw/zinc/82/93/68/979829368.db2.gz WIWGVAJRBCPTAD-LBPRGKRZSA-N 2 1 238.375 1.616 20 0 BDADMP CC1(C[N@H+]2C[C@H]([NH3+])C3(COC3)C2)CCCCC1 ZINC001237177055 979829373 /nfs/dbraw/zinc/82/93/73/979829373.db2.gz WIWGVAJRBCPTAD-LBPRGKRZSA-N 2 1 238.375 1.616 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001345103462 980549765 /nfs/dbraw/zinc/54/97/65/980549765.db2.gz FSOAZOPXTHCMPD-XJFOESAGSA-N 3 1 239.407 1.495 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CCCC[C@H]21 ZINC001195835002 982360044 /nfs/dbraw/zinc/36/00/44/982360044.db2.gz XJIKJHSMIVAECJ-MGPQQGTHSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CCCC[C@H]21 ZINC001195835002 982360053 /nfs/dbraw/zinc/36/00/53/982360053.db2.gz XJIKJHSMIVAECJ-MGPQQGTHSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001195835002 982360063 /nfs/dbraw/zinc/36/00/63/982360063.db2.gz XJIKJHSMIVAECJ-MGPQQGTHSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001195835002 982360070 /nfs/dbraw/zinc/36/00/70/982360070.db2.gz XJIKJHSMIVAECJ-MGPQQGTHSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCCC[NH3+] ZINC001205902551 983115167 /nfs/dbraw/zinc/11/51/67/983115167.db2.gz KGVUQDOJUFESRE-QWHCGFSZSA-N 3 1 227.396 1.565 20 0 BDADMP CC[C@H](C)C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201514304 983274692 /nfs/dbraw/zinc/27/46/92/983274692.db2.gz DEIUJQYRTBBEKA-NSHDSACASA-N 2 1 207.321 1.787 20 0 BDADMP CC[C@H](C)C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201514304 983274694 /nfs/dbraw/zinc/27/46/94/983274694.db2.gz DEIUJQYRTBBEKA-NSHDSACASA-N 2 1 207.321 1.787 20 0 BDADMP CC[C@H](CC(C)C)[N@H+](CC[NH3+])CCO ZINC001172387408 974733271 /nfs/dbraw/zinc/73/32/71/974733271.db2.gz VQLDXIUJHBRADA-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP CC[C@H](CC(C)C)[N@@H+](CC[NH3+])CCO ZINC001172387408 974733274 /nfs/dbraw/zinc/73/32/74/974733274.db2.gz VQLDXIUJHBRADA-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001222533099 972553045 /nfs/dbraw/zinc/55/30/45/972553045.db2.gz SFWNYHSEHKTNKC-UHFFFAOYSA-N 2 1 241.285 1.484 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCCOCC2)CCC1(F)F ZINC001246553704 972744990 /nfs/dbraw/zinc/74/49/90/972744990.db2.gz BXTBTPLJROKTBQ-MNOVXSKESA-N 2 1 248.317 1.471 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@@H](C)[NH2+]C)[C@H](C)C1 ZINC001327838033 972754785 /nfs/dbraw/zinc/75/47/85/972754785.db2.gz CPXHZNNKZOLGSP-UPJWGTAASA-N 2 1 227.396 1.304 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)[C@H](C)C1 ZINC001327838033 972754796 /nfs/dbraw/zinc/75/47/96/972754796.db2.gz CPXHZNNKZOLGSP-UPJWGTAASA-N 3 1 227.396 1.304 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)[C@H](C)C1 ZINC001327838033 972754803 /nfs/dbraw/zinc/75/48/03/972754803.db2.gz CPXHZNNKZOLGSP-UPJWGTAASA-N 3 1 227.396 1.304 20 0 BDADMP CSCC[C@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557314 972776682 /nfs/dbraw/zinc/77/66/82/972776682.db2.gz HUJBSYODJNUIBK-NWDGAFQWSA-N 2 1 246.420 1.304 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246609299 973031369 /nfs/dbraw/zinc/03/13/69/973031369.db2.gz MDEYIGRBUHEFTA-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP CC1(C)CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922394 973506404 /nfs/dbraw/zinc/50/64/04/973506404.db2.gz WDNCIZUUZKJSGN-CMPLNLGQSA-N 2 1 208.349 1.859 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922394 973506416 /nfs/dbraw/zinc/50/64/16/973506416.db2.gz WDNCIZUUZKJSGN-CMPLNLGQSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)[NH+]1CC(OCC2CC[NH+](C)CC2)C1 ZINC001224451160 973658963 /nfs/dbraw/zinc/65/89/63/973658963.db2.gz SVIXZCSEZFEUMV-UHFFFAOYSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256404143 970807979 /nfs/dbraw/zinc/80/79/79/970807979.db2.gz FIQCBENNKUYOFI-RYUDHWBXSA-N 2 1 221.348 1.539 20 0 BDADMP CCOC1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001256424854 970830913 /nfs/dbraw/zinc/83/09/13/970830913.db2.gz ZHNYKMWVJMNKEX-UHFFFAOYSA-N 2 1 214.353 1.661 20 0 BDADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC001256570121 970867841 /nfs/dbraw/zinc/86/78/41/970867841.db2.gz YLCYJVAKINJUOH-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP Cc1cc(C[NH3+])nn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614219 970878818 /nfs/dbraw/zinc/87/88/18/970878818.db2.gz IUGGRRBKYJKYMO-FUNVUKJBSA-N 2 1 234.347 1.448 20 0 BDADMP C[C@@H]1COCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621876 970887362 /nfs/dbraw/zinc/88/73/62/970887362.db2.gz ASGGRXGJFFICMH-ICIURTGMSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1COCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256621876 970887365 /nfs/dbraw/zinc/88/73/65/970887365.db2.gz ASGGRXGJFFICMH-ICIURTGMSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1COCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256621876 970887367 /nfs/dbraw/zinc/88/73/67/970887367.db2.gz ASGGRXGJFFICMH-ICIURTGMSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256622894 970888644 /nfs/dbraw/zinc/88/86/44/970888644.db2.gz MDHQQFFKWLDFKV-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256622894 970888651 /nfs/dbraw/zinc/88/86/51/970888651.db2.gz MDHQQFFKWLDFKV-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256622894 970888657 /nfs/dbraw/zinc/88/86/57/970888657.db2.gz MDHQQFFKWLDFKV-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256622894 970888660 /nfs/dbraw/zinc/88/86/60/970888660.db2.gz MDHQQFFKWLDFKV-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256624365 970891370 /nfs/dbraw/zinc/89/13/70/970891370.db2.gz XPKOHCMWHSJTIP-ACJTYDJDSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256624365 970891374 /nfs/dbraw/zinc/89/13/74/970891374.db2.gz XPKOHCMWHSJTIP-ACJTYDJDSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256624365 970891379 /nfs/dbraw/zinc/89/13/79/970891379.db2.gz XPKOHCMWHSJTIP-ACJTYDJDSA-N 2 1 208.349 1.953 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCOCC2)CCC1(F)F ZINC000403217078 970895791 /nfs/dbraw/zinc/89/57/91/970895791.db2.gz GWUWZQMOOXQEKH-NSHDSACASA-N 2 1 248.317 1.329 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+]C(C)(C)C[NH3+] ZINC001256719458 970936362 /nfs/dbraw/zinc/93/63/62/970936362.db2.gz PYCKHVUOMBMCSB-SNVBAGLBSA-N 2 1 207.321 1.340 20 0 BDADMP CCC1CCC([NH2+]C[C@H](C[NH3+])C(=O)OC)CC1 ZINC001256867010 971000182 /nfs/dbraw/zinc/00/01/82/971000182.db2.gz SJOWILQROARWJR-CXQJBGSLSA-N 2 1 242.363 1.293 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC001170503096 971002486 /nfs/dbraw/zinc/00/24/86/971002486.db2.gz BZPVGYLNGQRKAM-VXGBXAGGSA-N 2 1 242.363 1.387 20 0 BDADMP CNc1cc(Nc2c[nH+]ncc2N)cc[nH+]1 ZINC001216334465 971048901 /nfs/dbraw/zinc/04/89/01/971048901.db2.gz WCAMCXZIEFFEOX-UHFFFAOYSA-N 2 1 216.248 1.239 20 0 BDADMP C[C@H]1CC([N@@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC001257088308 971102958 /nfs/dbraw/zinc/10/29/58/971102958.db2.gz YQFXPKPHNPZCIN-RYUDHWBXSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC001257214296 971130122 /nfs/dbraw/zinc/13/01/22/971130122.db2.gz AAEGWMNBLHQUKT-YPMHNXCESA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC001257214296 971130129 /nfs/dbraw/zinc/13/01/29/971130129.db2.gz AAEGWMNBLHQUKT-YPMHNXCESA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)N1CCC([N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001257215067 971134369 /nfs/dbraw/zinc/13/43/69/971134369.db2.gz RSNKYIGUAQWXQJ-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001257215067 971134380 /nfs/dbraw/zinc/13/43/80/971134380.db2.gz RSNKYIGUAQWXQJ-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001257215067 971134385 /nfs/dbraw/zinc/13/43/85/971134385.db2.gz RSNKYIGUAQWXQJ-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[C@@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001257307165 971196814 /nfs/dbraw/zinc/19/68/14/971196814.db2.gz FAJQJFKQJOTUKL-GHMZBOCLSA-N 2 1 230.352 1.435 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](N)C23CCC3)CC1 ZINC000405197021 971209306 /nfs/dbraw/zinc/20/93/06/971209306.db2.gz AVQJWEHGYCHLFU-CHWSQXEVSA-N 2 1 237.391 1.188 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405237163 971213253 /nfs/dbraw/zinc/21/32/53/971213253.db2.gz UDAKSFYQABOKDE-QWHCGFSZSA-N 2 1 248.374 1.396 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405242432 971221185 /nfs/dbraw/zinc/22/11/85/971221185.db2.gz WXCRCUUJACJLQT-FRRDWIJNSA-N 2 1 237.391 1.188 20 0 BDADMP CCC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257321096 971222615 /nfs/dbraw/zinc/22/26/15/971222615.db2.gz JSJONMIXJCRGNT-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257321096 971222622 /nfs/dbraw/zinc/22/26/22/971222622.db2.gz JSJONMIXJCRGNT-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001257321096 971222628 /nfs/dbraw/zinc/22/26/28/971222628.db2.gz JSJONMIXJCRGNT-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001257321096 971222634 /nfs/dbraw/zinc/22/26/34/971222634.db2.gz JSJONMIXJCRGNT-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1c(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cnn1C ZINC000405306454 971232971 /nfs/dbraw/zinc/23/29/71/971232971.db2.gz KYZAJNOJBXWPLB-NEPJUHHUSA-N 2 1 234.347 1.088 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cnn(C)c1 ZINC000405334119 971236063 /nfs/dbraw/zinc/23/60/63/971236063.db2.gz XZNZMJLUZBXIEL-WCQGTBRESA-N 2 1 234.347 1.341 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2C1 ZINC001257354600 971267321 /nfs/dbraw/zinc/26/73/21/971267321.db2.gz JVAZAEWFKCKFLN-TXEJJXNPSA-N 2 1 208.349 1.813 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2C1 ZINC001257354600 971267325 /nfs/dbraw/zinc/26/73/25/971267325.db2.gz JVAZAEWFKCKFLN-TXEJJXNPSA-N 2 1 208.349 1.813 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCCC3)C[C@@H]2C1 ZINC001257354600 971267315 /nfs/dbraw/zinc/26/73/15/971267315.db2.gz JVAZAEWFKCKFLN-TXEJJXNPSA-N 2 1 208.349 1.813 20 0 BDADMP C[C@@H]1OC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@@H]1C ZINC000405654990 971285700 /nfs/dbraw/zinc/28/57/00/971285700.db2.gz NYTZQGZYAYRWLC-NTZNESFSSA-N 2 1 224.348 1.261 20 0 BDADMP CCCCCc1nnc([C@H]([NH3+])CCC[NH3+])o1 ZINC001217694891 971330634 /nfs/dbraw/zinc/33/06/34/971330634.db2.gz FWFNSGLXFANGIH-SECBINFHSA-N 2 1 226.324 1.541 20 0 BDADMP [NH3+]CCCC[C@@H]([NH3+])c1nnc(C2CCC2)o1 ZINC001217699104 971335279 /nfs/dbraw/zinc/33/52/79/971335279.db2.gz LAVXDTOGRBYTIU-SECBINFHSA-N 2 1 224.308 1.466 20 0 BDADMP CCCc1nnc([C@@H]([NH3+])CCCC[NH+](C)C)o1 ZINC001217713458 971355760 /nfs/dbraw/zinc/35/57/60/971355760.db2.gz UETHOWNBGLJOSR-JTQLQIEISA-N 2 1 240.351 1.754 20 0 BDADMP CC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257445978 971364353 /nfs/dbraw/zinc/36/43/53/971364353.db2.gz VYXRVVOIBZDTBX-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257445978 971364362 /nfs/dbraw/zinc/36/43/62/971364362.db2.gz VYXRVVOIBZDTBX-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001257445978 971364374 /nfs/dbraw/zinc/36/43/74/971364374.db2.gz VYXRVVOIBZDTBX-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001257445978 971364381 /nfs/dbraw/zinc/36/43/81/971364381.db2.gz VYXRVVOIBZDTBX-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP C[NH+](C)CCCCO[C@H]1CCC[N@@H+](C)C1 ZINC001224991721 974121475 /nfs/dbraw/zinc/12/14/75/974121475.db2.gz ZNFIEFKGSRTKGB-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CCCCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001257508945 971429259 /nfs/dbraw/zinc/42/92/59/971429259.db2.gz MHTCYHNJNKABDN-CYBMUJFWSA-N 2 1 230.396 1.859 20 0 BDADMP C[N@H+]1CCCC[C@H]1CO[C@@H]1CCC[NH2+]C1 ZINC001217859180 971451997 /nfs/dbraw/zinc/45/19/97/971451997.db2.gz FAEKVJQPGMFLMT-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP CC[N@H+]1CCC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217889981 971487008 /nfs/dbraw/zinc/48/70/08/971487008.db2.gz JWQDXZPDGDKUQE-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(C[NH3+])cn1)C2 ZINC001172108035 974366601 /nfs/dbraw/zinc/36/66/01/974366601.db2.gz OCKWYZSEMUBHIK-CLLJXQQHSA-N 2 1 234.347 1.530 20 0 BDADMP COC(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)OC ZINC001172106245 974367752 /nfs/dbraw/zinc/36/77/52/974367752.db2.gz OBONQEUZCLWXCO-CNDDSTCGSA-N 2 1 242.363 1.210 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCCOCC1 ZINC001170777325 971803762 /nfs/dbraw/zinc/80/37/62/971803762.db2.gz ZFMHHQOEHBXJFW-GFCCVEGCSA-N 2 1 214.353 1.615 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCOCC1 ZINC001170804420 971854715 /nfs/dbraw/zinc/85/47/15/971854715.db2.gz NWRFZYGICUHFLV-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC1(C)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983783 971908516 /nfs/dbraw/zinc/90/85/16/971908516.db2.gz QOFVPTRXEPBLSC-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP c1cn2c(n1)CC[N@@H+]([C@@H]1CCCOCC1)CC2 ZINC001170831479 971951769 /nfs/dbraw/zinc/95/17/69/971951769.db2.gz PUABZLKSABAWIF-GFCCVEGCSA-N 2 1 235.331 1.310 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+]([C@@H]1CCCOCC1)CC2 ZINC001170831479 971951782 /nfs/dbraw/zinc/95/17/82/971951782.db2.gz PUABZLKSABAWIF-GFCCVEGCSA-N 2 1 235.331 1.310 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+]([C@@H]1CCCOCC1)CC2 ZINC001170831479 971951792 /nfs/dbraw/zinc/95/17/92/971951792.db2.gz PUABZLKSABAWIF-GFCCVEGCSA-N 2 1 235.331 1.310 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n(C)n1 ZINC000310325110 971969768 /nfs/dbraw/zinc/96/97/68/971969768.db2.gz AIJJGAVWUHIIDA-GFCCVEGCSA-N 2 1 236.363 1.289 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n(C)n1 ZINC000310325110 971969771 /nfs/dbraw/zinc/96/97/71/971969771.db2.gz AIJJGAVWUHIIDA-GFCCVEGCSA-N 2 1 236.363 1.289 20 0 BDADMP CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349427 972005481 /nfs/dbraw/zinc/00/54/81/972005481.db2.gz KTOKWBNRMIMTIN-ZDUSSCGKSA-N 2 1 247.342 1.567 20 0 BDADMP CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349427 972005489 /nfs/dbraw/zinc/00/54/89/972005489.db2.gz KTOKWBNRMIMTIN-ZDUSSCGKSA-N 2 1 247.342 1.567 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC001135979612 972016547 /nfs/dbraw/zinc/01/65/47/972016547.db2.gz HRGVDTKRNSJWLI-RYUDHWBXSA-N 2 1 243.395 1.221 20 0 BDADMP CCCNc1nc(NCC[C@@H](C)[NH3+])[nH+]cc1C ZINC001170886440 972030566 /nfs/dbraw/zinc/03/05/66/972030566.db2.gz BONWGGZGYINHFI-SNVBAGLBSA-N 2 1 237.351 1.756 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246019516 972118729 /nfs/dbraw/zinc/11/87/29/972118729.db2.gz IPNVNMHRLXJTBK-IJLUTSLNSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246031399 972122496 /nfs/dbraw/zinc/12/24/96/972122496.db2.gz PREKOQDQHTZHEJ-JHJVBQTASA-N 2 1 242.407 1.700 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246089908 972143902 /nfs/dbraw/zinc/14/39/02/972143902.db2.gz HREBXWNLHXCXHK-NWDGAFQWSA-N 2 1 222.332 1.942 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246085164 972139833 /nfs/dbraw/zinc/13/98/33/972139833.db2.gz OFKDVKFOWMWQFX-USZNOCQGSA-N 2 1 240.347 1.058 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCSC2)[NH2+]C1 ZINC001246102351 972161713 /nfs/dbraw/zinc/16/17/13/972161713.db2.gz DFTZALFFSIXBJC-IJLUTSLNSA-N 2 1 228.405 1.860 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246111619 972177164 /nfs/dbraw/zinc/17/71/64/972177164.db2.gz KSYQXIARTAISSM-XJFOESAGSA-N 3 1 239.407 1.352 20 0 BDADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246107450 972173223 /nfs/dbraw/zinc/17/32/23/972173223.db2.gz BEVQAOACVMBPHX-VHSXEESVSA-N 2 1 218.291 1.763 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@@H+](C)C2)[NH2+]C1 ZINC001246111287 972175058 /nfs/dbraw/zinc/17/50/58/972175058.db2.gz JATSZAKHKONSFN-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246116518 972180291 /nfs/dbraw/zinc/18/02/91/972180291.db2.gz FWZTYKXXSMZOLL-MROQNXINSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)CC[NH2+]1 ZINC001246184583 972210597 /nfs/dbraw/zinc/21/05/97/972210597.db2.gz MDVKBCYZDGSKJD-ONGXEEELSA-N 2 1 246.314 1.453 20 0 BDADMP C(N[C@H]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC001246187604 972213087 /nfs/dbraw/zinc/21/30/87/972213087.db2.gz RDZWDXJNSUMNPH-QWHCGFSZSA-N 2 1 237.391 1.250 20 0 BDADMP [NH2+]=C(Nc1cccc2c1COC2)SCC[NH3+] ZINC001167912566 956879320 /nfs/dbraw/zinc/87/93/20/956879320.db2.gz QEAMOEVHESVAJJ-UHFFFAOYSA-N 2 1 237.328 1.755 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)C[NH2+]1 ZINC001246231976 972237050 /nfs/dbraw/zinc/23/70/50/972237050.db2.gz YNEXSQLLVGUJCN-NDBYEHHHSA-N 3 1 225.380 1.234 20 0 BDADMP Cc1[nH+]cc2n1CCN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208607242 957088494 /nfs/dbraw/zinc/08/84/94/957088494.db2.gz KSRDPKWPVYSVPR-ZDUSSCGKSA-N 2 1 248.374 1.349 20 0 BDADMP Cc1[nH+]cc2n1CCN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208607242 957088500 /nfs/dbraw/zinc/08/85/00/957088500.db2.gz KSRDPKWPVYSVPR-ZDUSSCGKSA-N 2 1 248.374 1.349 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1COC(C)(C)C1 ZINC000396634014 957093631 /nfs/dbraw/zinc/09/36/31/957093631.db2.gz HCDDZNXYCUXHCB-NXEZZACHSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000396846564 957309749 /nfs/dbraw/zinc/30/97/49/957309749.db2.gz HFXUGKKAWDBNAZ-GRYCIOLGSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000396846564 957309759 /nfs/dbraw/zinc/30/97/59/957309759.db2.gz HFXUGKKAWDBNAZ-GRYCIOLGSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)CC[NH2+]1 ZINC001246303627 972264376 /nfs/dbraw/zinc/26/43/76/972264376.db2.gz HOGPXQHZGJGXIG-KOLCDFICSA-N 2 1 223.295 1.451 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC001346190636 957427027 /nfs/dbraw/zinc/42/70/27/957427027.db2.gz INKPCHFOBBROGW-HUUCEWRRSA-N 2 1 248.370 1.131 20 0 BDADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)CC(C)C ZINC001266413464 957495483 /nfs/dbraw/zinc/49/54/83/957495483.db2.gz NXRHIEUVNJTVTH-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC2(CCC2)C1 ZINC001209730013 957525810 /nfs/dbraw/zinc/52/58/10/957525810.db2.gz CXMYZZXYPIUTHP-UHFFFAOYSA-N 2 1 217.316 1.870 20 0 BDADMP C[NH+](C)[C@@H](C[NH2+]C1CCOCC1)C1CC1 ZINC000164441922 957601567 /nfs/dbraw/zinc/60/15/67/957601567.db2.gz VBJLQUHTUQIZNK-LBPRGKRZSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N)n2)C[N@@H+]1C1CC1 ZINC001348031620 958258628 /nfs/dbraw/zinc/25/86/28/958258628.db2.gz OREMUBRBTDZVLF-RKDXNWHRSA-N 2 1 233.319 1.096 20 0 BDADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N)n2)C[N@H+]1C1CC1 ZINC001348031620 958258645 /nfs/dbraw/zinc/25/86/45/958258645.db2.gz OREMUBRBTDZVLF-RKDXNWHRSA-N 2 1 233.319 1.096 20 0 BDADMP C1CC2(C1)COCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000707202056 958403233 /nfs/dbraw/zinc/40/32/33/958403233.db2.gz YBWWQXAFUAOISR-FUNVUKJBSA-N 2 1 236.359 1.524 20 0 BDADMP C1CC2(C1)COCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000707202056 958403238 /nfs/dbraw/zinc/40/32/38/958403238.db2.gz YBWWQXAFUAOISR-FUNVUKJBSA-N 2 1 236.359 1.524 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)C[NH2+]1 ZINC000398962408 958458556 /nfs/dbraw/zinc/45/85/56/958458556.db2.gz NXDZCYAVUYTQQW-DDHJBXDOSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000399005455 958483274 /nfs/dbraw/zinc/48/32/74/958483274.db2.gz XMDMTBXMPKCQHN-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399025627 958491669 /nfs/dbraw/zinc/49/16/69/958491669.db2.gz JDDYBICGFAUTQI-VXGBXAGGSA-N 2 1 214.353 1.532 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399033064 958492086 /nfs/dbraw/zinc/49/20/86/958492086.db2.gz MWOJHBNFDJKCPG-WOPDTQHZSA-N 2 1 214.353 1.124 20 0 BDADMP CCC1(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)COC1 ZINC000399132307 958535976 /nfs/dbraw/zinc/53/59/76/958535976.db2.gz YANQMBUIKPRJAT-WDEREUQCSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)CO1 ZINC000403727599 958835148 /nfs/dbraw/zinc/83/51/48/958835148.db2.gz GPPRAVRGMYEWKW-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)CO1 ZINC000403727599 958835152 /nfs/dbraw/zinc/83/51/52/958835152.db2.gz GPPRAVRGMYEWKW-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001207282948 958873807 /nfs/dbraw/zinc/87/38/07/958873807.db2.gz RDWHOPKHJKWYII-CNDDSTCGSA-N 2 1 228.355 1.722 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237452 972415311 /nfs/dbraw/zinc/41/53/11/972415311.db2.gz KGUGHEALFLOMLP-JHJVBQTASA-N 2 1 208.349 1.860 20 0 BDADMP Cc1ncc(CN2CCC[C@]23CCC[NH2+]C3)[nH]1 ZINC001222249524 972418738 /nfs/dbraw/zinc/41/87/38/972418738.db2.gz TVVHLHMMOOAKMJ-ZDUSSCGKSA-N 2 1 234.347 1.436 20 0 BDADMP Cc1n[nH]cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000724777581 959445658 /nfs/dbraw/zinc/44/56/58/959445658.db2.gz AQKKOMUZFKANOB-YPMHNXCESA-N 2 1 234.347 1.102 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000724777581 959445669 /nfs/dbraw/zinc/44/56/69/959445669.db2.gz AQKKOMUZFKANOB-YPMHNXCESA-N 2 1 234.347 1.102 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000724777581 959445681 /nfs/dbraw/zinc/44/56/81/959445681.db2.gz AQKKOMUZFKANOB-YPMHNXCESA-N 2 1 234.347 1.102 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693880243 959461084 /nfs/dbraw/zinc/46/10/84/959461084.db2.gz WABPEDCATMTWRP-YNEHKIRRSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](CCC2CCOCC2)C1 ZINC000405791892 959514621 /nfs/dbraw/zinc/51/46/21/959514621.db2.gz LHVAHYBVBNRBMS-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](CCC2CCOCC2)C1 ZINC000405791892 959514633 /nfs/dbraw/zinc/51/46/33/959514633.db2.gz LHVAHYBVBNRBMS-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347099 972440643 /nfs/dbraw/zinc/44/06/43/972440643.db2.gz WBKRVZPRYIPPCV-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347099 972440646 /nfs/dbraw/zinc/44/06/46/972440646.db2.gz WBKRVZPRYIPPCV-CQSZACIVSA-N 2 1 237.391 1.204 20 0 BDADMP Cc1c(C[N@H+]2CCC[C@@H]([NH3+])CC2)cnn1C ZINC000708591037 959643775 /nfs/dbraw/zinc/64/37/75/959643775.db2.gz NWPCRKRRTLFYAB-GFCCVEGCSA-N 2 1 222.336 1.042 20 0 BDADMP c1cn2c([nH+]1)CC[C@@H](OC[C@@H]1CCC[NH2+]C1)C2 ZINC001217900417 959733586 /nfs/dbraw/zinc/73/35/86/959733586.db2.gz ZHGLTZQLOYPVOV-VXGBXAGGSA-N 2 1 235.331 1.214 20 0 BDADMP C[C@H]1C[N@@H+](CCCC(F)(F)F)C[C@H]1C[NH3+] ZINC000708861277 959985868 /nfs/dbraw/zinc/98/58/68/959985868.db2.gz GRFFOJIRNBRYAO-DTWKUNHWSA-N 2 1 224.270 1.856 20 0 BDADMP OCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222420531 972471398 /nfs/dbraw/zinc/47/13/98/972471398.db2.gz DRZOPPBYQXSPOO-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222420531 972471410 /nfs/dbraw/zinc/47/14/10/972471410.db2.gz DRZOPPBYQXSPOO-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925502800 960216465 /nfs/dbraw/zinc/21/64/65/960216465.db2.gz ISNFYEVSUOQQCV-VHSXEESVSA-N 2 1 214.378 1.612 20 0 BDADMP CO[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@@H]1F ZINC001207478998 960346209 /nfs/dbraw/zinc/34/62/09/960346209.db2.gz AGGKWAUBAILDHP-QWHCGFSZSA-N 2 1 244.354 1.387 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237998 960501594 /nfs/dbraw/zinc/50/15/94/960501594.db2.gz XZYZCDOVRRVCBZ-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCCN1CCC[C@@]12CCC[NH2+]C2 ZINC001222237998 960501602 /nfs/dbraw/zinc/50/16/02/960501602.db2.gz XZYZCDOVRRVCBZ-CQSZACIVSA-N 2 1 239.407 1.724 20 0 BDADMP c1ccc2c(c1)OC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709380780 960547143 /nfs/dbraw/zinc/54/71/43/960547143.db2.gz DPRIAFCBKOIGCN-BRZZBQFESA-N 2 1 244.338 1.993 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1CO ZINC000709415932 960584141 /nfs/dbraw/zinc/58/41/41/960584141.db2.gz SQGWVKAHQIMUFL-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC(C2COC2)C1 ZINC001140800107 960591160 /nfs/dbraw/zinc/59/11/60/960591160.db2.gz VDUMRHMWMQDILM-UHFFFAOYSA-N 2 1 243.310 1.641 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(C)c1 ZINC000709458703 960617165 /nfs/dbraw/zinc/61/71/65/960617165.db2.gz NEOOIQBTEIAHAY-MDFVCYEDSA-N 2 1 234.347 1.354 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](OC2CC[NH+](C)CC2)C1 ZINC001222503983 960662197 /nfs/dbraw/zinc/66/21/97/960662197.db2.gz MALACXJFCKHKSU-AWEZNQCLSA-N 2 1 240.391 1.970 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC[NH2+]C1 ZINC000925701143 960692159 /nfs/dbraw/zinc/69/21/59/960692159.db2.gz ZVDAECMDLYTDPY-ZDUSSCGKSA-N 3 1 235.375 1.170 20 0 BDADMP [NH3+]C[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925702544 960700529 /nfs/dbraw/zinc/70/05/29/960700529.db2.gz BMILKVYGDCSEKW-UPJWGTAASA-N 2 1 237.391 1.378 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3cocn3)C2)CC1 ZINC001141130680 960882873 /nfs/dbraw/zinc/88/28/73/960882873.db2.gz VNNHTQJQEBUFIQ-UHFFFAOYSA-N 2 1 235.331 1.592 20 0 BDADMP CC[C@@H]([NH3+])C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727710 962080463 /nfs/dbraw/zinc/08/04/63/962080463.db2.gz LCPMPDANNFBGPZ-GFCCVEGCSA-N 3 1 225.380 1.189 20 0 BDADMP CC[C@@H](N)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727710 962080478 /nfs/dbraw/zinc/08/04/78/962080478.db2.gz LCPMPDANNFBGPZ-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP CC[C@@H](N)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727710 962080496 /nfs/dbraw/zinc/08/04/96/962080496.db2.gz LCPMPDANNFBGPZ-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP CC[C@@H]([NH3+])CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204727710 962080518 /nfs/dbraw/zinc/08/05/18/962080518.db2.gz LCPMPDANNFBGPZ-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP COc1ccnc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206631933 962126942 /nfs/dbraw/zinc/12/69/42/962126942.db2.gz DDQZDMQKGAZPGS-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ccnc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206631933 962126956 /nfs/dbraw/zinc/12/69/56/962126956.db2.gz DDQZDMQKGAZPGS-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001206633079 962149701 /nfs/dbraw/zinc/14/97/01/962149701.db2.gz SMIQQNWLXUNBMZ-LLVKDONJSA-N 2 1 248.374 1.459 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001206633079 962149731 /nfs/dbraw/zinc/14/97/31/962149731.db2.gz SMIQQNWLXUNBMZ-LLVKDONJSA-N 2 1 248.374 1.459 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]c(N)n2)C1 ZINC000132279913 962403891 /nfs/dbraw/zinc/40/38/91/962403891.db2.gz HBWCXCYJXREXNR-JTQLQIEISA-N 2 1 235.335 1.201 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c(N)n2)C1 ZINC000132279913 962403910 /nfs/dbraw/zinc/40/39/10/962403910.db2.gz HBWCXCYJXREXNR-JTQLQIEISA-N 2 1 235.335 1.201 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000688054354 962853954 /nfs/dbraw/zinc/85/39/54/962853954.db2.gz WBQMQEBTCAEGJQ-MFKMUULPSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC1CC1 ZINC000925005850 962857506 /nfs/dbraw/zinc/85/75/06/962857506.db2.gz PWZDBDSNEUHLNY-PBWFPOADSA-N 2 1 238.375 1.343 20 0 BDADMP Cc1cc[nH+]c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001155620371 963122095 /nfs/dbraw/zinc/12/20/95/963122095.db2.gz VDABGTZZEQRHFF-GXTWGEPZSA-N 2 1 247.342 1.713 20 0 BDADMP Cc1cc[nH+]c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001155620373 963123857 /nfs/dbraw/zinc/12/38/57/963123857.db2.gz VDABGTZZEQRHFF-OCCSQVGLSA-N 2 1 247.342 1.713 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000696592695 963269481 /nfs/dbraw/zinc/26/94/81/963269481.db2.gz DZPRHQZZXLPDIC-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NC1CCCC1 ZINC000066245425 963273268 /nfs/dbraw/zinc/27/32/68/963273268.db2.gz PJPRFQWMKWQMFK-UHFFFAOYSA-N 2 1 240.395 1.773 20 0 BDADMP C[NH+](C)Cc1ccnc(N[C@H]2CC[N@@H+](C)C2)c1 ZINC001156581319 963393562 /nfs/dbraw/zinc/39/35/62/963393562.db2.gz KBFYEWCXZHWATH-LBPRGKRZSA-N 2 1 234.347 1.259 20 0 BDADMP Cn1ccc2c1cc[nH+]c2N[C@H]1CC[N@@H+](C)C1 ZINC001156580217 963395259 /nfs/dbraw/zinc/39/52/59/963395259.db2.gz HJNGLBYNYLWBMY-JTQLQIEISA-N 2 1 230.315 1.689 20 0 BDADMP CC[C@H](C)Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001157237408 963559775 /nfs/dbraw/zinc/55/97/75/963559775.db2.gz KCTDKSIEAJTVEY-JTQLQIEISA-N 2 1 249.362 1.615 20 0 BDADMP CNc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204684046 963596196 /nfs/dbraw/zinc/59/61/96/963596196.db2.gz FCKJEDCNJPTPMJ-UHFFFAOYSA-N 2 1 219.332 1.524 20 0 BDADMP CNc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204684046 963596200 /nfs/dbraw/zinc/59/62/00/963596200.db2.gz FCKJEDCNJPTPMJ-UHFFFAOYSA-N 2 1 219.332 1.524 20 0 BDADMP CCc1cc(N[C@H]2C[NH2+]CC[C@H]2F)nc(C)[nH+]1 ZINC001157450123 963608967 /nfs/dbraw/zinc/60/89/67/963608967.db2.gz HFJGKKJVTWOHBN-MNOVXSKESA-N 2 1 238.310 1.459 20 0 BDADMP Cc1cnc(NC2C[NH+](C(C)C)C2)c(C[NH3+])c1 ZINC001157530954 963644583 /nfs/dbraw/zinc/64/45/83/963644583.db2.gz JVLQCTFCYSVRQD-UHFFFAOYSA-N 2 1 234.347 1.353 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697084294 963709721 /nfs/dbraw/zinc/70/97/21/963709721.db2.gz KLMSTXOEELMORI-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@](F)(C[NH3+])C2)c1 ZINC001157808716 963734157 /nfs/dbraw/zinc/73/41/57/963734157.db2.gz JQOLYJBEQYICAJ-NSHDSACASA-N 2 1 209.268 1.267 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCC([NH+]3CCC3)CC2)CCO1 ZINC001168145840 963861416 /nfs/dbraw/zinc/86/14/16/963861416.db2.gz UXFLPFCAGNFRLI-TZMCWYRMSA-N 2 1 238.375 1.724 20 0 BDADMP CC1(Nc2cccn3cc[nH+]c23)CC[NH2+]CC1 ZINC001168187979 963949300 /nfs/dbraw/zinc/94/93/00/963949300.db2.gz ZAQSMHSSHCFSIO-UHFFFAOYSA-N 2 1 230.315 1.888 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC000725661330 964227639 /nfs/dbraw/zinc/22/76/39/964227639.db2.gz MJYXLKQMIYFGTB-GHMZBOCLSA-N 2 1 214.378 1.695 20 0 BDADMP Cc1ccnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1 ZINC001160508082 964317065 /nfs/dbraw/zinc/31/70/65/964317065.db2.gz CNHLZRVQTYQJSH-AWEZNQCLSA-N 2 1 246.358 1.225 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315021 964424971 /nfs/dbraw/zinc/42/49/71/964424971.db2.gz OYGSEPPLVPWZFC-XVSSEFHLSA-N 2 1 226.364 1.314 20 0 BDADMP CC(=O)C[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168315311 964426468 /nfs/dbraw/zinc/42/64/68/964426468.db2.gz UJKXCXOPFQKGMB-UHFFFAOYSA-N 2 1 212.337 1.380 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001168319507 964440279 /nfs/dbraw/zinc/44/02/79/964440279.db2.gz VUVQLKHSDYBVAD-VTXSZYRJSA-N 2 1 238.375 1.437 20 0 BDADMP COC(=O)[C@H](C)[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168324784 964447445 /nfs/dbraw/zinc/44/74/45/964447445.db2.gz XFKRVRHEDREPLT-UNXYVOJBSA-N 2 1 242.363 1.353 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCn3cncc3C2)CC1 ZINC001168326563 964454189 /nfs/dbraw/zinc/45/41/89/964454189.db2.gz BHOGPOYOTOOFGA-UHFFFAOYSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccno2)CC1 ZINC001168329437 964458497 /nfs/dbraw/zinc/45/84/97/964458497.db2.gz UCZZXMXEDMOKMV-UHFFFAOYSA-N 2 1 237.347 1.979 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001168327868 964459759 /nfs/dbraw/zinc/45/97/59/964459759.db2.gz RPQYTTPFWVRYTF-GFJIZPEISA-N 2 1 238.375 1.580 20 0 BDADMP [NH3+]C/C=C/CNc1cccc(C2CC2)[nH+]1 ZINC001160982587 964465164 /nfs/dbraw/zinc/46/51/64/964465164.db2.gz OCORCDAEAIQHCI-OWOJBTEDSA-N 2 1 203.289 1.886 20 0 BDADMP Nc1cc[nH+]c(N[C@H]2CC[N@H+](C3CCC3)C2)c1 ZINC001161176640 964548788 /nfs/dbraw/zinc/54/87/88/964548788.db2.gz ZXYTUNHEAJJFAL-NSHDSACASA-N 2 1 232.331 1.703 20 0 BDADMP Cc1c[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)nc1NC(C)C ZINC001162325195 964931400 /nfs/dbraw/zinc/93/14/00/964931400.db2.gz RVCKZTRDGQKUOH-GSJFWJNXSA-N 2 1 249.362 1.897 20 0 BDADMP Cc1cc2c[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)nc2[nH]1 ZINC001162390184 964950293 /nfs/dbraw/zinc/95/02/93/964950293.db2.gz CRKUKGSZXAQGPK-MNOVXSKESA-N 2 1 245.330 1.900 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](Nc2c[nH+]c3c(c2)CCCN3)C1 ZINC001162405810 964965895 /nfs/dbraw/zinc/96/58/95/964965895.db2.gz WWUCIDUWAHGXGN-VXGBXAGGSA-N 2 1 246.358 1.409 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(N)[nH+]c1 ZINC001162458008 964984882 /nfs/dbraw/zinc/98/48/82/964984882.db2.gz SKOCMFPIDJTXLL-WDEREUQCSA-N 2 1 234.347 1.711 20 0 BDADMP Cc1cc[nH+]c2cc(N[C@@H]3COC[C@@H]3[NH3+])ccc12 ZINC001162924681 965209737 /nfs/dbraw/zinc/20/97/37/965209737.db2.gz FJTKFUIVDZWOOM-GXTWGEPZSA-N 2 1 243.310 1.681 20 0 BDADMP CC(C)[N@@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC000094012433 965367516 /nfs/dbraw/zinc/36/75/16/965367516.db2.gz KMKCCDWRJNSPFO-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]CC1([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168422402 965394865 /nfs/dbraw/zinc/39/48/65/965394865.db2.gz WRMPVBHJIMMLHN-CYBMUJFWSA-N 2 1 234.318 1.764 20 0 BDADMP COc1[nH+]ccc(N[C@H](C)C[NH+](C)C)c1N ZINC001163778975 965585732 /nfs/dbraw/zinc/58/57/32/965585732.db2.gz SYXSZTGWFOHSTN-MRVPVSSYSA-N 2 1 224.308 1.034 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@@H]3CCCOC3)C[C@H]2C1 ZINC000715066406 965667471 /nfs/dbraw/zinc/66/74/71/965667471.db2.gz ZWNHSJGBPPTCPW-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC001205093553 965715257 /nfs/dbraw/zinc/71/52/57/965715257.db2.gz BNBASHPILPIYLP-LLVKDONJSA-N 2 1 246.314 1.536 20 0 BDADMP COc1cnccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094291 965725995 /nfs/dbraw/zinc/72/59/95/965725995.db2.gz LBSUVMMREGXSBJ-GFCCVEGCSA-N 2 1 235.331 1.403 20 0 BDADMP COc1cnccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094291 965726002 /nfs/dbraw/zinc/72/60/02/965726002.db2.gz LBSUVMMREGXSBJ-GFCCVEGCSA-N 2 1 235.331 1.403 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC001205095041 965736284 /nfs/dbraw/zinc/73/62/84/965736284.db2.gz TXOGZHGBRWEZPU-LBPRGKRZSA-N 2 1 220.316 1.705 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001205095407 965741778 /nfs/dbraw/zinc/74/17/78/965741778.db2.gz XPPSDVCKOCDLGU-JTQLQIEISA-N 2 1 221.304 1.100 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001205095407 965741786 /nfs/dbraw/zinc/74/17/86/965741786.db2.gz XPPSDVCKOCDLGU-JTQLQIEISA-N 2 1 221.304 1.100 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699260573 965824749 /nfs/dbraw/zinc/82/47/49/965824749.db2.gz NVNPMJGXKRNIPU-FUDCBSFHSA-N 2 1 238.375 1.485 20 0 BDADMP COC(=[NH2+])c1cccc(N2CC[C@@H]([NH3+])C2)c1 ZINC001164286033 965828903 /nfs/dbraw/zinc/82/89/03/965828903.db2.gz DAGDXYNXRJQFEI-SNVBAGLBSA-N 2 1 219.288 1.196 20 0 BDADMP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205109692 965829938 /nfs/dbraw/zinc/82/99/38/965829938.db2.gz JJRJROANRVWWDW-ZDUSSCGKSA-N 2 1 249.358 1.794 20 0 BDADMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205109692 965829946 /nfs/dbraw/zinc/82/99/46/965829946.db2.gz JJRJROANRVWWDW-ZDUSSCGKSA-N 2 1 249.358 1.794 20 0 BDADMP C[N@H+]1CC[C@H](c2ccc(N3CC[C@H]([NH3+])C3)cc2)C1 ZINC001164288268 965831525 /nfs/dbraw/zinc/83/15/25/965831525.db2.gz NFWSPTYRUZJLFK-KBPBESRZSA-N 2 1 245.370 1.643 20 0 BDADMP CCn1cncc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123525 965881497 /nfs/dbraw/zinc/88/14/97/965881497.db2.gz BUCMSDGXFJOOFU-NSHDSACASA-N 2 1 222.336 1.216 20 0 BDADMP CCn1cncc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123525 965881498 /nfs/dbraw/zinc/88/14/98/965881498.db2.gz BUCMSDGXFJOOFU-NSHDSACASA-N 2 1 222.336 1.216 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000699500005 965920103 /nfs/dbraw/zinc/92/01/03/965920103.db2.gz ZOPDAKVBMZWGOL-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000699597657 966006186 /nfs/dbraw/zinc/00/61/86/966006186.db2.gz LXZHEZHHVUGRIK-BFHYXJOUSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1cc(C[NH2+]CCCn2cc[nH+]c2C)no1 ZINC000699606040 966007905 /nfs/dbraw/zinc/00/79/05/966007905.db2.gz RPUQYPQINOOEFT-UHFFFAOYSA-N 2 1 234.303 1.668 20 0 BDADMP C1C[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC[N@H+]2C1 ZINC000829383719 966053830 /nfs/dbraw/zinc/05/38/30/966053830.db2.gz UPFGDVNHQLNVIG-PEUVFPKISA-N 2 1 249.402 1.440 20 0 BDADMP [NH3+][C@@]12CC[C@H]1CN(Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001235987088 966204558 /nfs/dbraw/zinc/20/45/58/966204558.db2.gz FNZHLVFBAQIPLD-SMDDNHRTSA-N 2 1 242.326 1.486 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3c2CCN3)C1 ZINC001236052414 966256150 /nfs/dbraw/zinc/25/61/50/966256150.db2.gz QUYPXITYBWBGBZ-AAEUAGOBSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001236052414 966256154 /nfs/dbraw/zinc/25/61/54/966256154.db2.gz QUYPXITYBWBGBZ-AAEUAGOBSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3c2CCN3)C1 ZINC001236052419 966256217 /nfs/dbraw/zinc/25/62/17/966256217.db2.gz QUYPXITYBWBGBZ-DGCLKSJQSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001236052419 966256232 /nfs/dbraw/zinc/25/62/32/966256232.db2.gz QUYPXITYBWBGBZ-DGCLKSJQSA-N 2 1 245.370 1.824 20 0 BDADMP CC1(C[NH3+])C[NH+](CCc2cccs2)C1 ZINC001206712289 966265125 /nfs/dbraw/zinc/26/51/25/966265125.db2.gz ZHUQPCIFBNVAFE-UHFFFAOYSA-N 2 1 210.346 1.571 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@]1(C)CCCNC1 ZINC001236200751 966308056 /nfs/dbraw/zinc/30/80/56/966308056.db2.gz JHQFVJPMEXZPDO-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@]1(C)CCCNC1 ZINC001236200751 966308071 /nfs/dbraw/zinc/30/80/71/966308071.db2.gz JHQFVJPMEXZPDO-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316380 966367065 /nfs/dbraw/zinc/36/70/65/966367065.db2.gz RMGARNFQHDPSDO-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP CCC[N@@H+](CCCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC001236833056 966561507 /nfs/dbraw/zinc/56/15/07/966561507.db2.gz YPTSERGPYSNOIQ-GFCCVEGCSA-N 3 1 213.369 1.047 20 0 BDADMP CCC1(Nc2cc[nH+]c(N3CCCC3)n2)C[NH2+]C1 ZINC001168580725 966913938 /nfs/dbraw/zinc/91/39/38/966913938.db2.gz NRWLTDOJFCUWDI-UHFFFAOYSA-N 2 1 247.346 1.241 20 0 BDADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204599271 967097561 /nfs/dbraw/zinc/09/75/61/967097561.db2.gz VKXWOYRCCFYZTO-QWRGUYRKSA-N 2 1 212.337 1.585 20 0 BDADMP C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204598608 967100403 /nfs/dbraw/zinc/10/04/03/967100403.db2.gz MDPCOSOQXVUXGM-SRVKXCTJSA-N 2 1 226.364 1.974 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000691347999 967253945 /nfs/dbraw/zinc/25/39/45/967253945.db2.gz AUEFDRWYTRRESQ-ZDUSSCGKSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000691352318 967262504 /nfs/dbraw/zinc/26/25/04/967262504.db2.gz XROASRFJBFQDFQ-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000691351866 967263056 /nfs/dbraw/zinc/26/30/56/967263056.db2.gz UKHGEVGFTAYYIL-ZDUSSCGKSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cccc(N)c1 ZINC001205082158 967330515 /nfs/dbraw/zinc/33/05/15/967330515.db2.gz AQKUSXDHCJGKJX-GWCFXTLKSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc(N)c1 ZINC001205082158 967330525 /nfs/dbraw/zinc/33/05/25/967330525.db2.gz AQKUSXDHCJGKJX-GWCFXTLKSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(N)c1 ZINC001205082158 967330541 /nfs/dbraw/zinc/33/05/41/967330541.db2.gz AQKUSXDHCJGKJX-GWCFXTLKSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(N)c1 ZINC001205082158 967330554 /nfs/dbraw/zinc/33/05/54/967330554.db2.gz AQKUSXDHCJGKJX-GWCFXTLKSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001205083800 967331093 /nfs/dbraw/zinc/33/10/93/967331093.db2.gz ZBYHRBKGAKGDGO-FZMZJTMJSA-N 2 1 233.359 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001205083800 967331109 /nfs/dbraw/zinc/33/11/09/967331109.db2.gz ZBYHRBKGAKGDGO-FZMZJTMJSA-N 2 1 233.359 1.457 20 0 BDADMP CS[C@H](C)CC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094817 967337180 /nfs/dbraw/zinc/33/71/80/967337180.db2.gz QKZQCTUTWIIATB-MNOVXSKESA-N 2 1 216.394 1.941 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)[nH]1 ZINC001205093722 967340438 /nfs/dbraw/zinc/34/04/38/967340438.db2.gz FGWVNXDTHYHQKW-LLVKDONJSA-N 2 1 236.363 1.594 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)[nH]1 ZINC001205093722 967340445 /nfs/dbraw/zinc/34/04/45/967340445.db2.gz FGWVNXDTHYHQKW-LLVKDONJSA-N 2 1 236.363 1.594 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC001205093600 967342820 /nfs/dbraw/zinc/34/28/20/967342820.db2.gz CCJYXKHYEJCHBN-GFCCVEGCSA-N 2 1 220.316 1.705 20 0 BDADMP COc1cc(C)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205117870 967363643 /nfs/dbraw/zinc/36/36/43/967363643.db2.gz XLDCXIUHCNVCDM-ZDUSSCGKSA-N 2 1 249.358 1.712 20 0 BDADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205117870 967363650 /nfs/dbraw/zinc/36/36/50/967363650.db2.gz XLDCXIUHCNVCDM-ZDUSSCGKSA-N 2 1 249.358 1.712 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205117876 967366294 /nfs/dbraw/zinc/36/62/94/967366294.db2.gz XOLGRTIKIDSJJV-SNVBAGLBSA-N 2 1 209.293 1.296 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205117876 967366301 /nfs/dbraw/zinc/36/63/01/967366301.db2.gz XOLGRTIKIDSJJV-SNVBAGLBSA-N 2 1 209.293 1.296 20 0 BDADMP C[C@H]1C[N@@H+](Cc2[nH]nc3ccccc32)C[C@H]1C[NH3+] ZINC001205136312 967384358 /nfs/dbraw/zinc/38/43/58/967384358.db2.gz XISNUZWMSYZBFM-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@H+](Cc2n[nH]c3ccccc32)C[C@H]1C[NH3+] ZINC001205136312 967384382 /nfs/dbraw/zinc/38/43/82/967384382.db2.gz XISNUZWMSYZBFM-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@@H+](Cc2n[nH]c3ccccc32)C[C@H]1C[NH3+] ZINC001205136312 967384389 /nfs/dbraw/zinc/38/43/89/967384389.db2.gz XISNUZWMSYZBFM-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnc1C ZINC001205146175 967391972 /nfs/dbraw/zinc/39/19/72/967391972.db2.gz RRHULYBVTSSQRJ-SMDDNHRTSA-N 2 1 233.359 1.725 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1C ZINC001205156227 967396168 /nfs/dbraw/zinc/39/61/68/967396168.db2.gz UAJDJZRPPIINMU-CMPLNLGQSA-N 2 1 249.358 1.425 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1C ZINC001205156227 967396175 /nfs/dbraw/zinc/39/61/75/967396175.db2.gz UAJDJZRPPIINMU-CMPLNLGQSA-N 2 1 249.358 1.425 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001205171756 967413683 /nfs/dbraw/zinc/41/36/83/967413683.db2.gz XJBJGOBQPYYOCA-VXGBXAGGSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001205171756 967413690 /nfs/dbraw/zinc/41/36/90/967413690.db2.gz XJBJGOBQPYYOCA-VXGBXAGGSA-N 2 1 225.380 1.140 20 0 BDADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CC2CCCCC2)CC1 ZINC001205212307 967431121 /nfs/dbraw/zinc/43/11/21/967431121.db2.gz YMGMUDYTGJHSHO-CQSZACIVSA-N 2 1 240.391 1.742 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001205257906 967449842 /nfs/dbraw/zinc/44/98/42/967449842.db2.gz YLZFHGDKSMIGON-AWEZNQCLSA-N 3 1 239.407 1.532 20 0 BDADMP COc1cnccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265628 967457412 /nfs/dbraw/zinc/45/74/12/967457412.db2.gz QAIHTCNKACOYPK-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cnccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265628 967457419 /nfs/dbraw/zinc/45/74/19/967457419.db2.gz QAIHTCNKACOYPK-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(F)n2)CC1 ZINC001205274329 967467501 /nfs/dbraw/zinc/46/75/01/967467501.db2.gz VKBBBFLAXQVYBG-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(F)n2)CC1 ZINC001205274329 967467504 /nfs/dbraw/zinc/46/75/04/967467504.db2.gz VKBBBFLAXQVYBG-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2[nH]nc3c2CCC3)CC1 ZINC001205280724 967472215 /nfs/dbraw/zinc/47/22/15/967472215.db2.gz HFLJGFKXQHEVRI-CQSZACIVSA-N 2 1 248.374 1.602 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2[nH]nc3c2CCC3)CC1 ZINC001205280724 967472219 /nfs/dbraw/zinc/47/22/19/967472219.db2.gz HFLJGFKXQHEVRI-CQSZACIVSA-N 2 1 248.374 1.602 20 0 BDADMP COc1ccnc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205281658 967477870 /nfs/dbraw/zinc/47/78/70/967477870.db2.gz XFMWLRUIBXPUKI-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccnc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205281658 967477878 /nfs/dbraw/zinc/47/78/78/967477878.db2.gz XFMWLRUIBXPUKI-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@H]1CCNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205324909 967529793 /nfs/dbraw/zinc/52/97/93/967529793.db2.gz HUIFHYMINGORPK-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC001205324909 967529823 /nfs/dbraw/zinc/52/98/23/967529823.db2.gz HUIFHYMINGORPK-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001205536901 967672032 /nfs/dbraw/zinc/67/20/32/967672032.db2.gz BSZHYJMQVUCYJK-OTTFEQOBSA-N 3 1 241.354 1.021 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccncc2)CC1 ZINC001205545446 967690354 /nfs/dbraw/zinc/69/03/54/967690354.db2.gz HIRJZUGTNVNDFE-ZDUSSCGKSA-N 2 1 237.322 1.735 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc[nH]c2)CC1 ZINC001205571259 967702498 /nfs/dbraw/zinc/70/24/98/967702498.db2.gz SCJWXMPHRSFVBH-GFCCVEGCSA-N 2 1 225.311 1.668 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccns2)CC1 ZINC001205582743 967704840 /nfs/dbraw/zinc/70/48/40/967704840.db2.gz YMKPNWPQTPSUPH-LLVKDONJSA-N 2 1 243.351 1.796 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cn(C)cn2)CC[C@@H]1C[NH3+] ZINC001205602639 967718800 /nfs/dbraw/zinc/71/88/00/967718800.db2.gz KUCNJDUXZGVSEK-VXGBXAGGSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cn(C)cn2)CC[C@H]1C[NH3+] ZINC001205602638 967721057 /nfs/dbraw/zinc/72/10/57/967721057.db2.gz KUCNJDUXZGVSEK-RYUDHWBXSA-N 2 1 236.363 1.227 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)n1 ZINC001205617855 967728908 /nfs/dbraw/zinc/72/89/08/967728908.db2.gz OOTAITULVKWNSE-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnccc2N)CC[C@@H]1C[NH3+] ZINC001205618577 967730978 /nfs/dbraw/zinc/73/09/78/967730978.db2.gz XGVFYPRDMLMERG-VXGBXAGGSA-N 2 1 248.374 1.301 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncco2)CC[C@H]1C[NH3+] ZINC001205629195 967734924 /nfs/dbraw/zinc/73/49/24/967734924.db2.gz YIILZCHQJRFFOM-QWRGUYRKSA-N 2 1 223.320 1.481 20 0 BDADMP Cc1ncoc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205627693 967737106 /nfs/dbraw/zinc/73/71/06/967737106.db2.gz RRUSOCFMQZJISV-CMPLNLGQSA-N 2 1 237.347 1.790 20 0 BDADMP CC(C)CCC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662867 967748103 /nfs/dbraw/zinc/74/81/03/967748103.db2.gz DZCDLZFQRCEJMH-CYBMUJFWSA-N 2 1 228.380 1.598 20 0 BDADMP Cc1nonc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205655367 967750383 /nfs/dbraw/zinc/75/03/83/967750383.db2.gz ZPFVIUMSOBLGDT-KOLCDFICSA-N 2 1 238.335 1.185 20 0 BDADMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)o1 ZINC001276484597 967824323 /nfs/dbraw/zinc/82/43/23/967824323.db2.gz SGRHZLZBUXZPSG-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)o1 ZINC001276484597 967824324 /nfs/dbraw/zinc/82/43/24/967824324.db2.gz SGRHZLZBUXZPSG-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)o1 ZINC001276484597 967824325 /nfs/dbraw/zinc/82/43/25/967824325.db2.gz SGRHZLZBUXZPSG-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@](C)(F)CC2)O1 ZINC001205855874 967856720 /nfs/dbraw/zinc/85/67/20/967856720.db2.gz PYPHTWAFXCCOBP-WCQYABFASA-N 2 1 244.354 1.925 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@](C)(F)CC2)O1 ZINC001205855874 967856722 /nfs/dbraw/zinc/85/67/22/967856722.db2.gz PYPHTWAFXCCOBP-WCQYABFASA-N 2 1 244.354 1.925 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001205863487 967862648 /nfs/dbraw/zinc/86/26/48/967862648.db2.gz XOIPXXFEXDPVQZ-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001205863487 967862653 /nfs/dbraw/zinc/86/26/53/967862653.db2.gz XOIPXXFEXDPVQZ-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCCO ZINC001205902253 967881088 /nfs/dbraw/zinc/88/10/88/967881088.db2.gz JIMWHUVPZNFNAP-NEPJUHHUSA-N 2 1 214.353 1.208 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@H]1O ZINC001205938526 967890556 /nfs/dbraw/zinc/89/05/56/967890556.db2.gz ITDTUBQJLUYARQ-ZIAGYGMSSA-N 2 1 234.343 1.013 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001205946421 967897200 /nfs/dbraw/zinc/89/72/00/967897200.db2.gz LVZYWKINYGTDRO-GHMZBOCLSA-N 2 1 248.317 1.206 20 0 BDADMP C[C@H]1C[N@@H+](CCCCC[NH3+])CCC[C@@H]1C[NH3+] ZINC001205984231 967931392 /nfs/dbraw/zinc/93/13/92/967931392.db2.gz RLPFTEMBHJWBHR-QWHCGFSZSA-N 3 1 227.396 1.422 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCC[C@H]1C[NH3+] ZINC001205995242 967951672 /nfs/dbraw/zinc/95/16/72/967951672.db2.gz NJIKVOZRMBTUEX-YPMHNXCESA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnn2)CCC[C@@H]1C[NH3+] ZINC001206005633 967956815 /nfs/dbraw/zinc/95/68/15/967956815.db2.gz YWMQSAJKMIVJPZ-NWDGAFQWSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccns2)CCC[C@@H]1C[NH3+] ZINC001206012388 967966160 /nfs/dbraw/zinc/96/61/60/967966160.db2.gz LAIISDODMSMKPU-GHMZBOCLSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccc3c2CCN3)C[C@H]1[NH3+] ZINC001206043760 968007459 /nfs/dbraw/zinc/00/74/59/968007459.db2.gz WOPVTOIURSFWEW-BXUZGUMPSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCN3)C[C@H]1[NH3+] ZINC001206043760 968007470 /nfs/dbraw/zinc/00/74/70/968007470.db2.gz WOPVTOIURSFWEW-BXUZGUMPSA-N 2 1 245.370 1.824 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccoc2)CC[C@@H]1F ZINC001206163658 968101055 /nfs/dbraw/zinc/10/10/55/968101055.db2.gz DPGBRUILWDOJGX-QWRGUYRKSA-N 2 1 212.268 1.541 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccoc2)CC[C@@H]1F ZINC001206163658 968101066 /nfs/dbraw/zinc/10/10/66/968101066.db2.gz DPGBRUILWDOJGX-QWRGUYRKSA-N 2 1 212.268 1.541 20 0 BDADMP CO[C@H](C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001206214998 968146972 /nfs/dbraw/zinc/14/69/72/968146972.db2.gz JFXIPZFCURFSBW-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP C[NH+](C)CCO[C@@H]1CCC[N@@H+](C)CC1 ZINC001206272228 968191499 /nfs/dbraw/zinc/19/14/99/968191499.db2.gz DWXJCOYYSAAJQX-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccncn2)CC1 ZINC001206311887 968219034 /nfs/dbraw/zinc/21/90/34/968219034.db2.gz WKQVVQVGJYOMTI-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP Cc1ncc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206540961 968367095 /nfs/dbraw/zinc/36/70/95/968367095.db2.gz DTCHUANSUIVCEB-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1ncc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206540961 968367098 /nfs/dbraw/zinc/36/70/98/968367098.db2.gz DTCHUANSUIVCEB-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccnn2)C1 ZINC001206556406 968379070 /nfs/dbraw/zinc/37/90/70/968379070.db2.gz RFIRIQLCVARVDU-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccnn2)C1 ZINC001206556406 968379076 /nfs/dbraw/zinc/37/90/76/968379076.db2.gz RFIRIQLCVARVDU-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206607381 968415560 /nfs/dbraw/zinc/41/55/60/968415560.db2.gz ZTQQUBBZPVABLT-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206607381 968415564 /nfs/dbraw/zinc/41/55/64/968415564.db2.gz ZTQQUBBZPVABLT-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP CC1(C)OC[C@H](C[N@H+]2CCCC[C@@H](C[NH3+])C2)O1 ZINC001206606102 968415834 /nfs/dbraw/zinc/41/58/34/968415834.db2.gz DIRMFSJZROGXPV-RYUDHWBXSA-N 2 1 242.363 1.199 20 0 BDADMP N[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCC1(F)F ZINC001206649259 968428469 /nfs/dbraw/zinc/42/84/69/968428469.db2.gz RZSQLQHALNISMT-LLVKDONJSA-N 2 1 247.333 1.044 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n1C ZINC001206793000 968476158 /nfs/dbraw/zinc/47/61/58/968476158.db2.gz RQDQYWQWJKLPIG-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1ncc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)n1C ZINC001206793000 968476164 /nfs/dbraw/zinc/47/61/64/968476164.db2.gz RQDQYWQWJKLPIG-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1ncc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)n1C ZINC001206793000 968476168 /nfs/dbraw/zinc/47/61/68/968476168.db2.gz RQDQYWQWJKLPIG-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)n1C ZINC001206795725 968483257 /nfs/dbraw/zinc/48/32/57/968483257.db2.gz LADCPLLLZPDOJK-CYBMUJFWSA-N 2 1 248.374 1.397 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)n1C ZINC001206795725 968483260 /nfs/dbraw/zinc/48/32/60/968483260.db2.gz LADCPLLLZPDOJK-CYBMUJFWSA-N 2 1 248.374 1.397 20 0 BDADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCCOCC1 ZINC000085869335 968507804 /nfs/dbraw/zinc/50/78/04/968507804.db2.gz DGWOTZPIDXDBKB-CPCZMJQVSA-N 2 1 226.364 1.757 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207005219 968538493 /nfs/dbraw/zinc/53/84/93/968538493.db2.gz YVKLNAABNTYHBX-YPMHNXCESA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207005219 968538497 /nfs/dbraw/zinc/53/84/97/968538497.db2.gz YVKLNAABNTYHBX-YPMHNXCESA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207005219 968538503 /nfs/dbraw/zinc/53/85/03/968538503.db2.gz YVKLNAABNTYHBX-YPMHNXCESA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@](C)(O)C1 ZINC001207279329 968713052 /nfs/dbraw/zinc/71/30/52/968713052.db2.gz KPLVWTPLDFOXGG-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001207398764 968749526 /nfs/dbraw/zinc/74/95/26/968749526.db2.gz NQULTLLNWZOLRM-QWHCGFSZSA-N 2 1 224.348 1.049 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CCC1=O ZINC001207395930 968751790 /nfs/dbraw/zinc/75/17/90/968751790.db2.gz ZSISFTMGHAOGAF-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP F[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]2C[C@@H]21 ZINC001207436262 968767559 /nfs/dbraw/zinc/76/75/59/968767559.db2.gz ZCEAMLPJWVZVHI-SRVKXCTJSA-N 2 1 212.312 1.276 20 0 BDADMP OC[C@H]1CCC(F)(F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436847 968769502 /nfs/dbraw/zinc/76/95/02/968769502.db2.gz SOUVPWMKIBSCIF-LLVKDONJSA-N 2 1 248.317 1.078 20 0 BDADMP OC[C@H]1CCC(F)(F)C[N@H+]1CC1CC[NH2+]CC1 ZINC001207436847 968769505 /nfs/dbraw/zinc/76/95/05/968769505.db2.gz SOUVPWMKIBSCIF-LLVKDONJSA-N 2 1 248.317 1.078 20 0 BDADMP C[N@H+](CC(=O)c1ccccc1)CC1CC[NH2+]CC1 ZINC001207441014 968773756 /nfs/dbraw/zinc/77/37/56/968773756.db2.gz OGGKCETWUZKXRU-UHFFFAOYSA-N 2 1 246.354 1.801 20 0 BDADMP FC[C@H]1[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001207438596 968774603 /nfs/dbraw/zinc/77/46/03/968774603.db2.gz BCGOJRRNOOIRRF-CNDDSTCGSA-N 2 1 212.312 1.133 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001207470376 968788282 /nfs/dbraw/zinc/78/82/82/968788282.db2.gz QSVWENUIHJXAFM-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC001207479052 968793897 /nfs/dbraw/zinc/79/38/97/968793897.db2.gz BYBFPYOCKCIYSO-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC001207484887 968799393 /nfs/dbraw/zinc/79/93/93/968799393.db2.gz OJQKUWFOFAUHRE-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001207487977 968804127 /nfs/dbraw/zinc/80/41/27/968804127.db2.gz ANIJVWLHWQZEPV-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)cc(N(C)C)[nH+]1 ZINC001154977084 968828803 /nfs/dbraw/zinc/82/88/03/968828803.db2.gz MSYOQEOMOKVPJY-QWRGUYRKSA-N 2 1 249.362 1.533 20 0 BDADMP Nc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]c1 ZINC001154976005 968830057 /nfs/dbraw/zinc/83/00/57/968830057.db2.gz KCWMPHHVJPJLJL-PSASIEDQSA-N 2 1 206.293 1.346 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105711 969000580 /nfs/dbraw/zinc/00/05/80/969000580.db2.gz BDHZMXJATPJLMR-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001208108333 969001084 /nfs/dbraw/zinc/00/10/84/969001084.db2.gz SQWJRECOFDKQHP-RYUDHWBXSA-N 2 1 244.354 1.123 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107919 969001111 /nfs/dbraw/zinc/00/11/11/969001111.db2.gz NGANCAHFYZNHGR-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC001208105574 969002221 /nfs/dbraw/zinc/00/22/21/969002221.db2.gz YCUOUNHZBYJKST-CYBMUJFWSA-N 2 1 240.391 1.423 20 0 BDADMP CCO[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208110385 969007351 /nfs/dbraw/zinc/00/73/51/969007351.db2.gz CCJGMAFRJXTXFW-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CC[N@@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208189044 969118980 /nfs/dbraw/zinc/11/89/80/969118980.db2.gz PUMSRAHUSXEJMA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208189044 969118985 /nfs/dbraw/zinc/11/89/85/969118985.db2.gz PUMSRAHUSXEJMA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001208593434 969152618 /nfs/dbraw/zinc/15/26/18/969152618.db2.gz SDJRLVVERIIYHR-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP CCC[NH+]1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608072 969161887 /nfs/dbraw/zinc/16/18/87/969161887.db2.gz FOMWXBHLKWYDJO-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]12 ZINC001208618301 969178012 /nfs/dbraw/zinc/17/80/12/969178012.db2.gz WAWJUOOJXGQHOR-XJFOESAGSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1CO[C@@H]2C[NH+](C[C@H]3CCC[N@H+](C)C3)C[C@H]12 ZINC001208618301 969178020 /nfs/dbraw/zinc/17/80/20/969178020.db2.gz WAWJUOOJXGQHOR-XJFOESAGSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1CO[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](C)C3)C[C@H]12 ZINC001208618301 969178026 /nfs/dbraw/zinc/17/80/26/969178026.db2.gz WAWJUOOJXGQHOR-XJFOESAGSA-N 2 1 238.375 1.295 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883887 969278063 /nfs/dbraw/zinc/27/80/63/969278063.db2.gz APNOEQOYDLJJCB-MJBXVCDLSA-N 2 1 236.359 1.563 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883887 969278072 /nfs/dbraw/zinc/27/80/72/969278072.db2.gz APNOEQOYDLJJCB-MJBXVCDLSA-N 2 1 236.359 1.563 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883887 969278078 /nfs/dbraw/zinc/27/80/78/969278078.db2.gz APNOEQOYDLJJCB-MJBXVCDLSA-N 2 1 236.359 1.563 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883884 969279015 /nfs/dbraw/zinc/27/90/15/969279015.db2.gz APNOEQOYDLJJCB-HZSPNIEDSA-N 2 1 236.359 1.563 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883884 969279020 /nfs/dbraw/zinc/27/90/20/969279020.db2.gz APNOEQOYDLJJCB-HZSPNIEDSA-N 2 1 236.359 1.563 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883884 969279027 /nfs/dbraw/zinc/27/90/27/969279027.db2.gz APNOEQOYDLJJCB-HZSPNIEDSA-N 2 1 236.359 1.563 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC001205996048 969324143 /nfs/dbraw/zinc/32/41/43/969324143.db2.gz UFPDFOBMSQATQY-DGCLKSJQSA-N 2 1 248.374 1.592 20 0 BDADMP Cc1cnc(C[NH3+])n1-c1cccn2c[nH+]cc12 ZINC001169030862 969354383 /nfs/dbraw/zinc/35/43/83/969354383.db2.gz OHYXGGLGFBEWHG-UHFFFAOYSA-N 2 1 227.271 1.287 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncccc2N)CCC[C@H]1C[NH3+] ZINC001205996339 969364845 /nfs/dbraw/zinc/36/48/45/969364845.db2.gz WHLZSCXOBOQNTO-NEPJUHHUSA-N 2 1 248.374 1.471 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1C[C@H](F)C1)C2 ZINC001169097824 969392776 /nfs/dbraw/zinc/39/27/76/969392776.db2.gz CDHBPDUAAGGHOY-VJYNRISKSA-N 2 1 226.339 1.949 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](F)C1)C2 ZINC001169098629 969393638 /nfs/dbraw/zinc/39/36/38/969393638.db2.gz KEAUYRUCIFTINA-NMZKHRHQSA-N 2 1 212.312 1.702 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)C2 ZINC001169099158 969394218 /nfs/dbraw/zinc/39/42/18/969394218.db2.gz OHXFURQORISAIS-XYYAHUGASA-N 2 1 247.342 1.502 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C2 ZINC001169100972 969395389 /nfs/dbraw/zinc/39/53/89/969395389.db2.gz NGSDBUOYFWRUQX-QSLWVIQJSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1nccc1C[NH3+])C2 ZINC001169077866 969396152 /nfs/dbraw/zinc/39/61/52/969396152.db2.gz AVFRMBNICLJBQO-PEGIJTEDSA-N 2 1 220.320 1.140 20 0 BDADMP CCOC(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078814 969396793 /nfs/dbraw/zinc/39/67/93/969396793.db2.gz HJZNGJSDFCOVAD-ZSBIGDGJSA-N 2 1 240.347 1.154 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCO)C2 ZINC001169080953 969402989 /nfs/dbraw/zinc/40/29/89/969402989.db2.gz NYQYASKAZPWTLW-XYYAHUGASA-N 2 1 226.364 1.364 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001169082308 969403036 /nfs/dbraw/zinc/40/30/36/969403036.db2.gz YOZYXSMGICOMPV-IEECTRCBSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC=CC1)C2 ZINC001169090684 969406234 /nfs/dbraw/zinc/40/62/34/969406234.db2.gz KRTYYAJHJVSOEZ-CLLJXQQHSA-N 2 1 206.333 1.920 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(C[NH3+])cc1=N)C2 ZINC001169091185 969406402 /nfs/dbraw/zinc/40/64/02/969406402.db2.gz PAGDJAFXXUXADU-ITGUQSILSA-N 2 1 246.358 1.224 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC[N@@H+]1C)C2 ZINC001169090679 969406420 /nfs/dbraw/zinc/40/64/20/969406420.db2.gz KPVJYQLYUFYEDH-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090679 969406424 /nfs/dbraw/zinc/40/64/24/969406424.db2.gz KPVJYQLYUFYEDH-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090679 969406431 /nfs/dbraw/zinc/40/64/31/969406431.db2.gz KPVJYQLYUFYEDH-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090679 969406434 /nfs/dbraw/zinc/40/64/34/969406434.db2.gz KPVJYQLYUFYEDH-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090679 969406438 /nfs/dbraw/zinc/40/64/38/969406438.db2.gz KPVJYQLYUFYEDH-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(C[NH3+])n1)C2 ZINC001169092086 969407792 /nfs/dbraw/zinc/40/77/92/969407792.db2.gz XCSIALHXOFQGCM-GDNZZTSVSA-N 2 1 220.320 1.140 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)O ZINC001169119412 969414750 /nfs/dbraw/zinc/41/47/50/969414750.db2.gz SVTNVVICCWNZIV-WISYIIOYSA-N 2 1 226.364 1.361 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@](C)(CO)C1)C2 ZINC001169125413 969423872 /nfs/dbraw/zinc/42/38/72/969423872.db2.gz HZCMGCATGSANOX-XJFOESAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@](C)(CO)C1)C2 ZINC001169125413 969423879 /nfs/dbraw/zinc/42/38/79/969423879.db2.gz HZCMGCATGSANOX-XJFOESAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@](C)(CO)C1)C2 ZINC001169125413 969423881 /nfs/dbraw/zinc/42/38/81/969423881.db2.gz HZCMGCATGSANOX-XJFOESAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124847 969424586 /nfs/dbraw/zinc/42/45/86/969424586.db2.gz FLQPZOHCYNRWTD-HPCHECBXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124847 969424593 /nfs/dbraw/zinc/42/45/93/969424593.db2.gz FLQPZOHCYNRWTD-HPCHECBXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124847 969424600 /nfs/dbraw/zinc/42/46/00/969424600.db2.gz FLQPZOHCYNRWTD-HPCHECBXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124847 969424607 /nfs/dbraw/zinc/42/46/07/969424607.db2.gz FLQPZOHCYNRWTD-HPCHECBXSA-N 2 1 238.375 1.457 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](O)CC1)C2 ZINC001169126331 969432163 /nfs/dbraw/zinc/43/21/63/969432163.db2.gz RWCSKXFQTIFRJO-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](O)CC1)C2 ZINC001169126331 969432167 /nfs/dbraw/zinc/43/21/67/969432167.db2.gz RWCSKXFQTIFRJO-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](O)CC1)C2 ZINC001169126331 969432171 /nfs/dbraw/zinc/43/21/71/969432171.db2.gz RWCSKXFQTIFRJO-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(CO)CC1)C2 ZINC001169131618 969435718 /nfs/dbraw/zinc/43/57/18/969435718.db2.gz WNHNXJJQFPIEBO-BTTYYORXSA-N 2 1 238.375 1.316 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108067 969449136 /nfs/dbraw/zinc/44/91/36/969449136.db2.gz NVIRNDQFIWXJMK-CLLJXQQHSA-N 2 1 238.375 1.959 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CCC1CC3)C2 ZINC001169147012 969465292 /nfs/dbraw/zinc/46/52/92/969465292.db2.gz REIPSRQQEKWZAH-FICVDOATSA-N 2 1 249.402 1.392 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001169155366 969471913 /nfs/dbraw/zinc/47/19/13/969471913.db2.gz NURUYIUIRSNCQT-HQXUFTRPSA-N 2 1 238.350 1.759 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001169155366 969471922 /nfs/dbraw/zinc/47/19/22/969471922.db2.gz NURUYIUIRSNCQT-HQXUFTRPSA-N 2 1 238.350 1.759 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001169155366 969471927 /nfs/dbraw/zinc/47/19/27/969471927.db2.gz NURUYIUIRSNCQT-HQXUFTRPSA-N 2 1 238.350 1.759 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001169155367 969475619 /nfs/dbraw/zinc/47/56/19/969475619.db2.gz NURUYIUIRSNCQT-XUYNTYLMSA-N 2 1 238.350 1.759 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001169155367 969475630 /nfs/dbraw/zinc/47/56/30/969475630.db2.gz NURUYIUIRSNCQT-XUYNTYLMSA-N 2 1 238.350 1.759 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001169155367 969475641 /nfs/dbraw/zinc/47/56/41/969475641.db2.gz NURUYIUIRSNCQT-XUYNTYLMSA-N 2 1 238.350 1.759 20 0 BDADMP CO[C@H](C)C1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169154423 969476256 /nfs/dbraw/zinc/47/62/56/969476256.db2.gz QDGFDLRHOJEFRJ-ZZVYKPCYSA-N 2 1 238.375 1.578 20 0 BDADMP CC[NH+]1CCC([NH2+]C2(COC)CCC2)CC1 ZINC001169224258 969495096 /nfs/dbraw/zinc/49/50/96/969495096.db2.gz GUYIPTKTLGQUBV-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001209433429 969502344 /nfs/dbraw/zinc/50/23/44/969502344.db2.gz UCGVEJVQCTVXIV-LPWJVIDDSA-N 2 1 208.349 1.668 20 0 BDADMP C(C[NH+]1CC(C2COC2)C1)C[NH+]1CCCCC1 ZINC001209448516 969520438 /nfs/dbraw/zinc/52/04/38/969520438.db2.gz WLYYQGQBAFUOMJ-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@]23CCOC3)CC1 ZINC001169264544 969521579 /nfs/dbraw/zinc/52/15/79/969521579.db2.gz HMXZZTALUIDKEJ-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@]23CCOC3)CC1 ZINC001169264544 969521581 /nfs/dbraw/zinc/52/15/81/969521581.db2.gz HMXZZTALUIDKEJ-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](OC(C)C)C2)CC1 ZINC001169266580 969525330 /nfs/dbraw/zinc/52/53/30/969525330.db2.gz WOWYRTHTMURVJI-AWEZNQCLSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](OC(C)C)C2)CC1 ZINC001169266580 969525339 /nfs/dbraw/zinc/52/53/39/969525339.db2.gz WOWYRTHTMURVJI-AWEZNQCLSA-N 2 1 240.391 1.970 20 0 BDADMP CCN1CCC([N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC001169246236 969535014 /nfs/dbraw/zinc/53/50/14/969535014.db2.gz QHKUUROPBAUJDL-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC001169246236 969535018 /nfs/dbraw/zinc/53/50/18/969535018.db2.gz QHKUUROPBAUJDL-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC001169246236 969535021 /nfs/dbraw/zinc/53/50/21/969535021.db2.gz QHKUUROPBAUJDL-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CCN1CCC([N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC001169247102 969536128 /nfs/dbraw/zinc/53/61/28/969536128.db2.gz ZWGDAQZIMYEDBJ-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC001169247102 969536135 /nfs/dbraw/zinc/53/61/35/969536135.db2.gz ZWGDAQZIMYEDBJ-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC001169247102 969536139 /nfs/dbraw/zinc/53/61/39/969536139.db2.gz ZWGDAQZIMYEDBJ-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209729920 969585917 /nfs/dbraw/zinc/58/59/17/969585917.db2.gz BCAWYWLHXAAOTP-ZDUSSCGKSA-N 2 1 249.358 1.884 20 0 BDADMP COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209729920 969585927 /nfs/dbraw/zinc/58/59/27/969585927.db2.gz BCAWYWLHXAAOTP-ZDUSSCGKSA-N 2 1 249.358 1.884 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCCOC1)C2 ZINC001254388582 969609415 /nfs/dbraw/zinc/60/94/15/969609415.db2.gz FDARQYYJZAYSJU-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c[nH]1 ZINC001206011830 969634143 /nfs/dbraw/zinc/63/41/43/969634143.db2.gz GTFKVFVZHAJGTQ-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001206011830 969634155 /nfs/dbraw/zinc/63/41/55/969634155.db2.gz GTFKVFVZHAJGTQ-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC001206011830 969634160 /nfs/dbraw/zinc/63/41/60/969634160.db2.gz GTFKVFVZHAJGTQ-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCN2CCCCO2)CC1 ZINC001254498276 969660183 /nfs/dbraw/zinc/66/01/83/969660183.db2.gz UNTQXPYTMSUEQU-CYBMUJFWSA-N 2 1 241.379 1.088 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499599 969660638 /nfs/dbraw/zinc/66/06/38/969660638.db2.gz KPLYMHLQZRLPHN-YNEHKIRRSA-N 2 1 225.380 1.330 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499599 969660644 /nfs/dbraw/zinc/66/06/44/969660644.db2.gz KPLYMHLQZRLPHN-YNEHKIRRSA-N 3 1 225.380 1.330 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499599 969660653 /nfs/dbraw/zinc/66/06/53/969660653.db2.gz KPLYMHLQZRLPHN-YNEHKIRRSA-N 3 1 225.380 1.330 20 0 BDADMP Cc1cnc(CC[NH2+][C@H]2CCC[N@H+](C)CC2)nc1 ZINC001254497151 969663240 /nfs/dbraw/zinc/66/32/40/969663240.db2.gz GKJGGQURMNBLPE-ZDUSSCGKSA-N 2 1 248.374 1.401 20 0 BDADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](C[C@H](C)[NH3+])C1 ZINC001209846873 969664898 /nfs/dbraw/zinc/66/48/98/969664898.db2.gz WQZGBXFBVJHSKJ-AAEUAGOBSA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC001209846873 969664905 /nfs/dbraw/zinc/66/49/05/969664905.db2.gz WQZGBXFBVJHSKJ-AAEUAGOBSA-N 2 1 242.363 1.389 20 0 BDADMP CCC1([NH2+][C@@H]2CCC[N@H+](C)CC2)COC1 ZINC001254503807 969669137 /nfs/dbraw/zinc/66/91/37/969669137.db2.gz PNQJYZHWXYQLBG-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP CCC1([NH2+][C@@H]2CCC[N@@H+](C)CC2)COC1 ZINC001254503807 969669144 /nfs/dbraw/zinc/66/91/44/969669144.db2.gz PNQJYZHWXYQLBG-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP COc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)n1 ZINC001254509103 969677459 /nfs/dbraw/zinc/67/74/59/969677459.db2.gz WFURYUNXPGIHKY-GFCCVEGCSA-N 2 1 249.358 1.664 20 0 BDADMP COc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001254509103 969677472 /nfs/dbraw/zinc/67/74/72/969677472.db2.gz WFURYUNXPGIHKY-GFCCVEGCSA-N 2 1 249.358 1.664 20 0 BDADMP COC(=O)CCCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254507790 969678313 /nfs/dbraw/zinc/67/83/13/969678313.db2.gz DXTWNHWAXAIYPS-LBPRGKRZSA-N 2 1 242.363 1.404 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)nc2)CC1 ZINC001254508184 969678775 /nfs/dbraw/zinc/67/87/75/969678775.db2.gz HUXVVMYNOYEHKE-GFCCVEGCSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)nc2)CC1 ZINC001254508184 969678785 /nfs/dbraw/zinc/67/87/85/969678785.db2.gz HUXVVMYNOYEHKE-GFCCVEGCSA-N 2 1 237.322 1.795 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CC[C@]1(C)O ZINC001254517358 969694870 /nfs/dbraw/zinc/69/48/70/969694870.db2.gz UXIGIIGPTNEAEO-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CC[C@]1(C)O ZINC001254517358 969694879 /nfs/dbraw/zinc/69/48/79/969694879.db2.gz UXIGIIGPTNEAEO-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CC[C@]1(C)O ZINC001254517358 969694890 /nfs/dbraw/zinc/69/48/90/969694890.db2.gz UXIGIIGPTNEAEO-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517792 969695883 /nfs/dbraw/zinc/69/58/83/969695883.db2.gz YRSQGHHBXAFQHJ-IJLUTSLNSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517792 969695889 /nfs/dbraw/zinc/69/58/89/969695889.db2.gz YRSQGHHBXAFQHJ-IJLUTSLNSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254517792 969695899 /nfs/dbraw/zinc/69/58/99/969695899.db2.gz YRSQGHHBXAFQHJ-IJLUTSLNSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517792 969695904 /nfs/dbraw/zinc/69/59/04/969695904.db2.gz YRSQGHHBXAFQHJ-IJLUTSLNSA-N 2 1 214.328 1.903 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001254519701 969699379 /nfs/dbraw/zinc/69/93/79/969699379.db2.gz KBWMCTUUHYLTEJ-JHJVBQTASA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001254519701 969699387 /nfs/dbraw/zinc/69/93/87/969699387.db2.gz KBWMCTUUHYLTEJ-JHJVBQTASA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001254519701 969699390 /nfs/dbraw/zinc/69/93/90/969699390.db2.gz KBWMCTUUHYLTEJ-JHJVBQTASA-N 2 1 224.348 1.334 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC001169656443 969800284 /nfs/dbraw/zinc/80/02/84/969800284.db2.gz MATFWAXMUIJZAA-SMDDNHRTSA-N 2 1 249.358 1.449 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC[C@@H]2COCC[N@H+]2C)cc1 ZINC001169656443 969800287 /nfs/dbraw/zinc/80/02/87/969800287.db2.gz MATFWAXMUIJZAA-SMDDNHRTSA-N 2 1 249.358 1.449 20 0 BDADMP C[C@@H]1CN([C@H]2CC3CC[NH+](CC3)C2)CC[N@H+]1C ZINC001254860307 969811749 /nfs/dbraw/zinc/81/17/49/969811749.db2.gz KNYJORMJLOAOOY-OCCSQVGLSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254921310 969819119 /nfs/dbraw/zinc/81/91/19/969819119.db2.gz AUUQDBKAWKQENC-WOPDTQHZSA-N 2 1 236.359 1.285 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254921310 969819124 /nfs/dbraw/zinc/81/91/24/969819124.db2.gz AUUQDBKAWKQENC-WOPDTQHZSA-N 2 1 236.359 1.285 20 0 BDADMP [NH3+]CCCC[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC001210196529 969828635 /nfs/dbraw/zinc/82/86/35/969828635.db2.gz OMESFAQALRDXMD-CQSZACIVSA-N 2 1 233.359 1.372 20 0 BDADMP [NH3+]CCCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210196529 969828638 /nfs/dbraw/zinc/82/86/38/969828638.db2.gz OMESFAQALRDXMD-CQSZACIVSA-N 2 1 233.359 1.372 20 0 BDADMP C[NH+](C)CCC(C)(C)Nc1ccc(N)[nH+]c1 ZINC001169717821 969832794 /nfs/dbraw/zinc/83/27/94/969832794.db2.gz GCBXERXSQPMBOW-UHFFFAOYSA-N 2 1 222.336 1.806 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254944325 969832997 /nfs/dbraw/zinc/83/29/97/969832997.db2.gz QAJDTKHXKBGDNX-GDNZZTSVSA-N 2 1 247.342 1.705 20 0 BDADMP C[N@@H+](CCO)CCC[NH2+]C1Cc2ccccc2C1 ZINC001255018840 969849485 /nfs/dbraw/zinc/84/94/85/969849485.db2.gz GRIWQJGSRDNQJP-UHFFFAOYSA-N 2 1 248.370 1.058 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCOCC3)C[C@@H]2C1 ZINC001255045156 969864556 /nfs/dbraw/zinc/86/45/56/969864556.db2.gz ATMNELBQTYGMGV-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255045156 969864559 /nfs/dbraw/zinc/86/45/59/969864559.db2.gz ATMNELBQTYGMGV-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255045156 969864563 /nfs/dbraw/zinc/86/45/63/969864563.db2.gz ATMNELBQTYGMGV-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP Cc1nc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c[nH]1 ZINC001276682418 969868989 /nfs/dbraw/zinc/86/89/89/969868989.db2.gz MAXILIPUJJOGIR-AWEZNQCLSA-N 2 1 248.374 1.636 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCSCC3)C[C@@H]2C1 ZINC001255096355 969930309 /nfs/dbraw/zinc/93/03/09/969930309.db2.gz MFVPEIFMLMICRS-TXEJJXNPSA-N 2 1 240.416 1.766 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCSCC3)C[C@@H]2C1 ZINC001255096355 969930319 /nfs/dbraw/zinc/93/03/19/969930319.db2.gz MFVPEIFMLMICRS-TXEJJXNPSA-N 2 1 240.416 1.766 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCSCC3)C[C@@H]2C1 ZINC001255096355 969930328 /nfs/dbraw/zinc/93/03/28/969930328.db2.gz MFVPEIFMLMICRS-TXEJJXNPSA-N 2 1 240.416 1.766 20 0 BDADMP [NH3+]CC1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255106009 969937467 /nfs/dbraw/zinc/93/74/67/969937467.db2.gz JRTWNQCGWHEZGU-CQSZACIVSA-N 2 1 245.370 1.342 20 0 BDADMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCC(C)(C)CC1 ZINC001255297973 970062279 /nfs/dbraw/zinc/06/22/79/970062279.db2.gz QCZWJZRZNWXXEN-JTQLQIEISA-N 2 1 242.363 1.293 20 0 BDADMP C[N@H+]1CC[C@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001255417701 970138881 /nfs/dbraw/zinc/13/88/81/970138881.db2.gz OCVXJJZZFOQIQK-NSHDSACASA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@@H](n2nc(CC[NH3+])c3ccccc32)C1 ZINC001255417410 970140689 /nfs/dbraw/zinc/14/06/89/970140689.db2.gz MGVGFQSHUJZRFP-LLVKDONJSA-N 2 1 244.342 1.414 20 0 BDADMP CCN(CC[NH+]1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC001255436056 970167128 /nfs/dbraw/zinc/16/71/28/970167128.db2.gz ONGMJKGYFMJUOR-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP C[N@H+]1CC[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001255436114 970167342 /nfs/dbraw/zinc/16/73/42/970167342.db2.gz PCNFBMSLGUCKSK-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001255443179 970175121 /nfs/dbraw/zinc/17/51/21/970175121.db2.gz KUCHPBRPRUSQBA-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001255443179 970175126 /nfs/dbraw/zinc/17/51/26/970175126.db2.gz KUCHPBRPRUSQBA-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001255443179 970175130 /nfs/dbraw/zinc/17/51/30/970175130.db2.gz KUCHPBRPRUSQBA-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CC[C@H](N2CC[NH+](C)CC23CCCC3)C1 ZINC001255443548 970177299 /nfs/dbraw/zinc/17/72/99/970177299.db2.gz PKUJUHLHOCBVIC-ZDUSSCGKSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CC[C@H](N2CC[N@H+](C)CC23CCCC3)C1 ZINC001255443548 970177305 /nfs/dbraw/zinc/17/73/05/970177305.db2.gz PKUJUHLHOCBVIC-ZDUSSCGKSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CC[C@H](N2CC[N@@H+](C)CC23CCCC3)C1 ZINC001255443548 970177307 /nfs/dbraw/zinc/17/73/07/970177307.db2.gz PKUJUHLHOCBVIC-ZDUSSCGKSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@@H+](C1CC1)C1CCN([C@H]2CC[NH+](C)C2)CC1 ZINC001255445343 970180661 /nfs/dbraw/zinc/18/06/61/970180661.db2.gz UQFJJFOMCKXKPR-AWEZNQCLSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)C1CCN([C@H]2CC[N@H+](C)C2)CC1 ZINC001255445343 970180664 /nfs/dbraw/zinc/18/06/64/970180664.db2.gz UQFJJFOMCKXKPR-AWEZNQCLSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)C1CCN([C@H]2CC[N@@H+](C)C2)CC1 ZINC001255445343 970180668 /nfs/dbraw/zinc/18/06/68/970180668.db2.gz UQFJJFOMCKXKPR-AWEZNQCLSA-N 2 1 237.391 1.249 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2ccc(C[NH3+])nc2)C1 ZINC001255475859 970206387 /nfs/dbraw/zinc/20/63/87/970206387.db2.gz XCKRXRRFSVXLII-GFCCVEGCSA-N 2 1 220.320 1.046 20 0 BDADMP CC[N@@H+](C)C1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001255495494 970261833 /nfs/dbraw/zinc/26/18/33/970261833.db2.gz QMELTKABHHALGL-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](C)C1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001255495494 970261843 /nfs/dbraw/zinc/26/18/43/970261843.db2.gz QMELTKABHHALGL-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](C)C1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001255495494 970261848 /nfs/dbraw/zinc/26/18/48/970261848.db2.gz QMELTKABHHALGL-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001170147703 970442921 /nfs/dbraw/zinc/44/29/21/970442921.db2.gz DXGTVCIZGHNAAF-NWDGAFQWSA-N 2 1 219.332 1.930 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001170147703 970442924 /nfs/dbraw/zinc/44/29/24/970442924.db2.gz DXGTVCIZGHNAAF-NWDGAFQWSA-N 2 1 219.332 1.930 20 0 BDADMP CCC[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255667471 970448296 /nfs/dbraw/zinc/44/82/96/970448296.db2.gz JHNXWNWGXOERPY-FUDCBSFHSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255667471 970448312 /nfs/dbraw/zinc/44/83/12/970448312.db2.gz JHNXWNWGXOERPY-FUDCBSFHSA-N 2 1 240.391 1.752 20 0 BDADMP Cc1cnc(C[NH3+])n1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255668930 970448645 /nfs/dbraw/zinc/44/86/45/970448645.db2.gz PJGRCXMFRXVDBB-FUNVUKJBSA-N 2 1 248.374 1.838 20 0 BDADMP C[C@@H]1COCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674301 970450168 /nfs/dbraw/zinc/45/01/68/970450168.db2.gz ODSDQOGAHLNEAA-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1COCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674301 970450171 /nfs/dbraw/zinc/45/01/71/970450171.db2.gz ODSDQOGAHLNEAA-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1COCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674301 970450173 /nfs/dbraw/zinc/45/01/73/970450173.db2.gz ODSDQOGAHLNEAA-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1COCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674301 970450177 /nfs/dbraw/zinc/45/01/77/970450177.db2.gz ODSDQOGAHLNEAA-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690417071 970519085 /nfs/dbraw/zinc/51/90/85/970519085.db2.gz VVBGFWPGUSSILF-OLZOCXBDSA-N 2 1 226.364 1.474 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000400072208 970548234 /nfs/dbraw/zinc/54/82/34/970548234.db2.gz HZDDYAZZVUXTIY-GRYCIOLGSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@H]1CCC[NH2+]1 ZINC000400383361 970584405 /nfs/dbraw/zinc/58/44/05/970584405.db2.gz XOVHSNACCVRKJE-SDDRHHMPSA-N 2 1 210.321 1.409 20 0 BDADMP C[C@H]([NH2+]CCSC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400382455 970584589 /nfs/dbraw/zinc/58/45/89/970584589.db2.gz KRZNXXGLCFVOLF-JGVFFNPUSA-N 2 1 242.310 1.970 20 0 BDADMP Cc1[nH]ncc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400434916 970589678 /nfs/dbraw/zinc/58/96/78/970589678.db2.gz MJBUPABXAANBOV-VIFPVBQESA-N 2 1 222.336 1.196 20 0 BDADMP CC[C@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001170202307 970596244 /nfs/dbraw/zinc/59/62/44/970596244.db2.gz GBOGTNHMQWWHTI-RYUDHWBXSA-N 2 1 237.347 1.905 20 0 BDADMP C1CC1[NH+]1CCC(N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001256077127 970647079 /nfs/dbraw/zinc/64/70/79/970647079.db2.gz MMEKDJQPEHKTTE-OAHLLOKOSA-N 2 1 249.402 1.393 20 0 BDADMP CCCNc1cc[nH+]c(NCC2C[NH+](C)C2)n1 ZINC001170249275 970655786 /nfs/dbraw/zinc/65/57/86/970655786.db2.gz APDXVHLGMCOVFK-UHFFFAOYSA-N 2 1 235.335 1.272 20 0 BDADMP C[NH+]1CC(CNc2cc[nH+]c(N3CCCC3)n2)C1 ZINC001170253273 970661545 /nfs/dbraw/zinc/66/15/45/970661545.db2.gz WPINSUSLTGJHNG-UHFFFAOYSA-N 2 1 247.346 1.050 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@H+]1C1CCN(C)CC1 ZINC001256207196 970708634 /nfs/dbraw/zinc/70/86/34/970708634.db2.gz BSLLPPLOJSMBKL-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP CN1CCC([N@@H+]2CCC[C@H](F)C2)CC1 ZINC001256208178 970712788 /nfs/dbraw/zinc/71/27/88/970712788.db2.gz YCVBYYNZXSBMDJ-JTQLQIEISA-N 2 1 200.301 1.515 20 0 BDADMP CN1CCC([N@H+]2CCC[C@H](F)C2)CC1 ZINC001256208178 970712795 /nfs/dbraw/zinc/71/27/95/970712795.db2.gz YCVBYYNZXSBMDJ-JTQLQIEISA-N 2 1 200.301 1.515 20 0 BDADMP CCCCC[C@H](CC)[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246542463 972583791 /nfs/dbraw/zinc/58/37/91/972583791.db2.gz QOHAMCMTZCJSJN-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP CCCCC[C@H](CC)[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246542463 972583799 /nfs/dbraw/zinc/58/37/99/972583799.db2.gz QOHAMCMTZCJSJN-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP C[C@H](CC(F)(F)F)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543075 972589302 /nfs/dbraw/zinc/58/93/02/972589302.db2.gz SHZRELBHETYGSS-DJLDLDEBSA-N 2 1 224.270 1.854 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2COC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246544318 972616492 /nfs/dbraw/zinc/61/64/92/972616492.db2.gz XRYRBHMYYFJMRS-AXFHLTTASA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246546638 972645605 /nfs/dbraw/zinc/64/56/05/972645605.db2.gz NBVBBPXALHFJMR-PDWCTOEPSA-N 2 1 237.391 1.423 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@@H]1CCCSC1 ZINC001246547344 972671126 /nfs/dbraw/zinc/67/11/26/972671126.db2.gz PEZGFINSXBUECX-GARJFASQSA-N 2 1 214.378 1.694 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1CCCSC1 ZINC001246547344 972671133 /nfs/dbraw/zinc/67/11/33/972671133.db2.gz PEZGFINSXBUECX-GARJFASQSA-N 2 1 214.378 1.694 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@](C)(O)CC2)CC[NH2+]1 ZINC001246552783 972738560 /nfs/dbraw/zinc/73/85/60/972738560.db2.gz VEVBGGIMLQNCJZ-REWJHTLYSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@](C)(O)CC2)CC[NH2+]1 ZINC001246552779 972738876 /nfs/dbraw/zinc/73/88/76/972738876.db2.gz VEVBGGIMLQNCJZ-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553615 972743760 /nfs/dbraw/zinc/74/37/60/972743760.db2.gz BNEOQQJGGNXRRC-OUAUKWLOSA-N 2 1 248.317 1.470 20 0 BDADMP CC1CCC([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246556843 972772658 /nfs/dbraw/zinc/77/26/58/972772658.db2.gz GONMVOVKPADCRK-RUXDESIVSA-N 2 1 240.391 1.741 20 0 BDADMP CC1CCC([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246556838 972776264 /nfs/dbraw/zinc/77/62/64/972776264.db2.gz GONMVOVKPADCRK-JXQTWKCFSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246558485 972779281 /nfs/dbraw/zinc/77/92/81/972779281.db2.gz QIMBFKPUARULJU-FRRDWIJNSA-N 2 1 237.391 1.188 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246565369 972809880 /nfs/dbraw/zinc/80/98/80/972809880.db2.gz CNRVXZQNTDNASN-GRYCIOLGSA-N 2 1 242.363 1.387 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568050 972824548 /nfs/dbraw/zinc/82/45/48/972824548.db2.gz PETZZKHFJHBSGM-GMTAPVOTSA-N 2 1 200.326 1.081 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568050 972824550 /nfs/dbraw/zinc/82/45/50/972824550.db2.gz PETZZKHFJHBSGM-GMTAPVOTSA-N 2 1 200.326 1.081 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246581998 972941781 /nfs/dbraw/zinc/94/17/81/972941781.db2.gz LYSFVZJDJXJBQH-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCSC2)C1 ZINC001246588006 972981068 /nfs/dbraw/zinc/98/10/68/972981068.db2.gz XLPXRXKDLLQNIL-NWDGAFQWSA-N 2 1 228.405 1.943 20 0 BDADMP CCCC[C@@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246612693 973031039 /nfs/dbraw/zinc/03/10/39/973031039.db2.gz CJBJXEPSPAYEOV-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246609299 973031358 /nfs/dbraw/zinc/03/13/58/973031358.db2.gz MDEYIGRBUHEFTA-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP CCCC[C@H](CC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246623152 973040048 /nfs/dbraw/zinc/04/00/48/973040048.db2.gz JHAIWRUTLHUFAX-UONOGXRCSA-N 2 1 239.407 1.593 20 0 BDADMP CCCC[C@H](CC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246623147 973041148 /nfs/dbraw/zinc/04/11/48/973041148.db2.gz JHAIWRUTLHUFAX-KBPBESRZSA-N 2 1 239.407 1.593 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246627682 973045887 /nfs/dbraw/zinc/04/58/87/973045887.db2.gz YKAOBRAFFYBWCK-MGPQQGTHSA-N 2 1 240.391 1.731 20 0 BDADMP C1C[C@@H]2[C@H](CC[N@H+]2C2CCC3(CC[NH2+]C3)CC2)[NH2+]1 ZINC001246636270 973047302 /nfs/dbraw/zinc/04/73/02/973047302.db2.gz UKTILOGBVFWTDO-RAFNIBEQSA-N 3 1 249.402 1.345 20 0 BDADMP C1C[C@@H]2[C@H](CCN2C2CCC3(CC[NH2+]C3)CC2)[NH2+]1 ZINC001246636270 973047314 /nfs/dbraw/zinc/04/73/14/973047314.db2.gz UKTILOGBVFWTDO-RAFNIBEQSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246636039 973051324 /nfs/dbraw/zinc/05/13/24/973051324.db2.gz BPTRJDPOXZJPNK-OLZOCXBDSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246637542 973054689 /nfs/dbraw/zinc/05/46/89/973054689.db2.gz YKOAAXXRYVQURV-RNJOBUHISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246637542 973054701 /nfs/dbraw/zinc/05/47/01/973054701.db2.gz YKOAAXXRYVQURV-RNJOBUHISA-N 2 1 224.348 1.095 20 0 BDADMP CC[C@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668618 973073137 /nfs/dbraw/zinc/07/31/37/973073137.db2.gz ZVNYGVMBQLWPFF-XJFOESAGSA-N 3 1 237.391 1.330 20 0 BDADMP CC[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668618 973073151 /nfs/dbraw/zinc/07/31/51/973073151.db2.gz ZVNYGVMBQLWPFF-XJFOESAGSA-N 3 1 237.391 1.330 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246661314 973077167 /nfs/dbraw/zinc/07/71/67/973077167.db2.gz LAJOPWKEMIYYIE-ZYHUDNBSSA-N 2 1 234.347 1.148 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810498 973112027 /nfs/dbraw/zinc/11/20/27/973112027.db2.gz WZCYFCKQILXWKC-WJTVCTBASA-N 3 1 223.364 1.081 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810498 973112055 /nfs/dbraw/zinc/11/20/55/973112055.db2.gz WZCYFCKQILXWKC-WJTVCTBASA-N 3 1 223.364 1.081 20 0 BDADMP COC(=O)c1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC001328682421 973265834 /nfs/dbraw/zinc/26/58/34/973265834.db2.gz TZAWMYLTBRZDJZ-VHSXEESVSA-N 2 1 236.315 1.299 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246908966 973414281 /nfs/dbraw/zinc/41/42/81/973414281.db2.gz HJZCSSDMJKUFFH-ZDEQEGDKSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246908966 973414288 /nfs/dbraw/zinc/41/42/88/973414288.db2.gz HJZCSSDMJKUFFH-ZDEQEGDKSA-N 2 1 225.380 1.329 20 0 BDADMP CCC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923454 973549840 /nfs/dbraw/zinc/54/98/40/973549840.db2.gz YLZGTFAQHSETRV-MVKMKZAISA-N 2 1 208.349 1.859 20 0 BDADMP CCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923454 973549853 /nfs/dbraw/zinc/54/98/53/973549853.db2.gz YLZGTFAQHSETRV-MVKMKZAISA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCc2cccc(F)c2C1 ZINC001246981967 973747418 /nfs/dbraw/zinc/74/74/18/973747418.db2.gz VARNMXZLFQAJRZ-JQWIXIFHSA-N 2 1 236.334 1.962 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCc2cccc(F)c2C1 ZINC001246981967 973747431 /nfs/dbraw/zinc/74/74/31/973747431.db2.gz VARNMXZLFQAJRZ-JQWIXIFHSA-N 2 1 236.334 1.962 20 0 BDADMP COC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000234793109 973761430 /nfs/dbraw/zinc/76/14/30/973761430.db2.gz VTJRIAQGNDUQJL-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000234798690 973764249 /nfs/dbraw/zinc/76/42/49/973764249.db2.gz QGWOGOLIECSWEY-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP CO[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000234798792 973766264 /nfs/dbraw/zinc/76/62/64/973766264.db2.gz DUICZXQNVFNKIF-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C1=C2NCC[N@@H+]([C@H]3CCC[NH2+]CC3)[C@H]2CCC1 ZINC001246991789 973781207 /nfs/dbraw/zinc/78/12/07/973781207.db2.gz BXILAIFYMRCFRO-JSGCOSHPSA-N 2 1 235.375 1.470 20 0 BDADMP C1=C2NCC[N@H+]([C@H]3CCC[NH2+]CC3)[C@H]2CCC1 ZINC001246991789 973781216 /nfs/dbraw/zinc/78/12/16/973781216.db2.gz BXILAIFYMRCFRO-JSGCOSHPSA-N 2 1 235.375 1.470 20 0 BDADMP CC[N@H+]1CC[C@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224701895 973865471 /nfs/dbraw/zinc/86/54/71/973865471.db2.gz JBKBGANDWHEWBW-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CC[C@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224701895 973865473 /nfs/dbraw/zinc/86/54/73/973865473.db2.gz JBKBGANDWHEWBW-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CC[C@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224701895 973865474 /nfs/dbraw/zinc/86/54/74/973865474.db2.gz JBKBGANDWHEWBW-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP Cc1cc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc(C)[nH+]1 ZINC001329939838 974044704 /nfs/dbraw/zinc/04/47/04/974044704.db2.gz VZNBIMQUUWJUKJ-MNOVXSKESA-N 2 1 248.330 1.074 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC001330167923 974137235 /nfs/dbraw/zinc/13/72/35/974137235.db2.gz IESBCVKWSCZCKV-GXSJLCMTSA-N 2 1 247.333 1.056 20 0 BDADMP CC1(C[NH2+][C@@H]2CCC[NH2+]C2)CC(F)(F)C1 ZINC000720991350 974178312 /nfs/dbraw/zinc/17/83/12/974178312.db2.gz AFYMXQWEHPPXRD-SECBINFHSA-N 2 1 218.291 1.763 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153727 974233400 /nfs/dbraw/zinc/23/34/00/974233400.db2.gz FIZATJBYKACFJX-MNOVXSKESA-N 2 1 232.343 1.563 20 0 BDADMP COC(C)(C)CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153727 974233412 /nfs/dbraw/zinc/23/34/12/974233412.db2.gz FIZATJBYKACFJX-MNOVXSKESA-N 2 1 232.343 1.563 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCc2ccccc2)CC[C@H]1F ZINC001206154141 974319552 /nfs/dbraw/zinc/31/95/52/974319552.db2.gz GVRMTOUQRNHWPG-ZIAGYGMSSA-N 2 1 236.334 1.990 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccccc2)CC[C@H]1F ZINC001206154141 974319562 /nfs/dbraw/zinc/31/95/62/974319562.db2.gz GVRMTOUQRNHWPG-ZIAGYGMSSA-N 2 1 236.334 1.990 20 0 BDADMP N[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)CC[C@H]1F ZINC001206156938 974327888 /nfs/dbraw/zinc/32/78/88/974327888.db2.gz UOEICFQMQFIJQR-IJLUTSLNSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCCO2)CC[C@H]1F ZINC001206156938 974327916 /nfs/dbraw/zinc/32/79/16/974327916.db2.gz UOEICFQMQFIJQR-IJLUTSLNSA-N 2 1 230.327 1.317 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001172098925 974336858 /nfs/dbraw/zinc/33/68/58/974336858.db2.gz DMEVEQNBQARPAG-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172099444 974337581 /nfs/dbraw/zinc/33/75/81/974337581.db2.gz HLWAKLYBNPZXDB-ZSOGYDGISA-N 2 1 248.374 1.525 20 0 BDADMP N[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1F ZINC001206156183 974340296 /nfs/dbraw/zinc/34/02/96/974340296.db2.gz OKWWGVFFGFRPEH-STQMWFEESA-N 2 1 243.370 1.137 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1F ZINC001206156183 974340301 /nfs/dbraw/zinc/34/03/01/974340301.db2.gz OKWWGVFFGFRPEH-STQMWFEESA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1F ZINC001206156183 974340306 /nfs/dbraw/zinc/34/03/06/974340306.db2.gz OKWWGVFFGFRPEH-STQMWFEESA-N 3 1 243.370 1.137 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206155973 974342302 /nfs/dbraw/zinc/34/23/02/974342302.db2.gz NPMSTYKULGISGK-GHMZBOCLSA-N 2 1 218.316 1.174 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206155973 974342308 /nfs/dbraw/zinc/34/23/08/974342308.db2.gz NPMSTYKULGISGK-GHMZBOCLSA-N 2 1 218.316 1.174 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100834 974344572 /nfs/dbraw/zinc/34/45/72/974344572.db2.gz SOSOXBWQRFRLGA-XJFOESAGSA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100834 974344579 /nfs/dbraw/zinc/34/45/79/974344579.db2.gz SOSOXBWQRFRLGA-XJFOESAGSA-N 2 1 240.391 1.608 20 0 BDADMP COCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100292 974345298 /nfs/dbraw/zinc/34/52/98/974345298.db2.gz OQQBUOZHLAAILV-CLLJXQQHSA-N 2 1 226.364 1.628 20 0 BDADMP COC[C@@H]1CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130079 974353228 /nfs/dbraw/zinc/35/32/28/974353228.db2.gz HAGCLHZMQYZXSS-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130079 974353231 /nfs/dbraw/zinc/35/32/31/974353231.db2.gz HAGCLHZMQYZXSS-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130079 974353246 /nfs/dbraw/zinc/35/32/46/974353246.db2.gz HAGCLHZMQYZXSS-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP CC(C)N(CC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103507 974360666 /nfs/dbraw/zinc/36/06/66/974360666.db2.gz VQPPHUZBRDVNLV-BTTYYORXSA-N 2 1 239.407 1.671 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(F)COC1)C2 ZINC001172105123 974363988 /nfs/dbraw/zinc/36/39/88/974363988.db2.gz HBAHHNASOQUUKX-CNDDSTCGSA-N 2 1 242.338 1.330 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103667 974366131 /nfs/dbraw/zinc/36/61/31/974366131.db2.gz WKQZYDKUPPMYIT-XDQVBPFNSA-N 2 1 239.407 1.541 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001172107941 974369792 /nfs/dbraw/zinc/36/97/92/974369792.db2.gz LZODCYMUYVRLNO-MQYQWHSLSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H]([NH3+])C1)C2 ZINC001172103761 974370268 /nfs/dbraw/zinc/37/02/68/974370268.db2.gz XMLPJIYEGNAGHA-NDBYEHHHSA-N 2 1 223.364 1.035 20 0 BDADMP CN(CC[NH+](C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112853 974375107 /nfs/dbraw/zinc/37/51/07/974375107.db2.gz GDORGGUSMUGHMX-WDNDVIMCSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnco1)C2 ZINC001172108394 974376896 /nfs/dbraw/zinc/37/68/96/974376896.db2.gz WCEBLTHOTANBJN-CNDDSTCGSA-N 2 1 235.331 1.780 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnco1)C2 ZINC001172108394 974376907 /nfs/dbraw/zinc/37/69/07/974376907.db2.gz WCEBLTHOTANBJN-CNDDSTCGSA-N 2 1 235.331 1.780 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001172108826 974377446 /nfs/dbraw/zinc/37/74/46/974377446.db2.gz ZVQGZVJQMBKEEN-KLLCGCCRSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001172108826 974377450 /nfs/dbraw/zinc/37/74/50/974377450.db2.gz ZVQGZVJQMBKEEN-KLLCGCCRSA-N 2 1 238.375 1.505 20 0 BDADMP C[C@@H](CO)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118610 974378953 /nfs/dbraw/zinc/37/89/53/974378953.db2.gz SCVCQNCPAGDUEK-YIYPIFLZSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](C[NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113639 974380427 /nfs/dbraw/zinc/38/04/27/974380427.db2.gz DZVLTJTXYQIRTR-FVCCEPFGSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113639 974380435 /nfs/dbraw/zinc/38/04/35/974380435.db2.gz DZVLTJTXYQIRTR-FVCCEPFGSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113639 974380448 /nfs/dbraw/zinc/38/04/48/974380448.db2.gz DZVLTJTXYQIRTR-FVCCEPFGSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H](C[NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113645 974383361 /nfs/dbraw/zinc/38/33/61/974383361.db2.gz DZVLTJTXYQIRTR-ZDEQEGDKSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113645 974383370 /nfs/dbraw/zinc/38/33/70/974383370.db2.gz DZVLTJTXYQIRTR-ZDEQEGDKSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113645 974383377 /nfs/dbraw/zinc/38/33/77/974383377.db2.gz DZVLTJTXYQIRTR-ZDEQEGDKSA-N 3 1 225.380 1.186 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121417 974392322 /nfs/dbraw/zinc/39/23/22/974392322.db2.gz QBYHINBYAJUVRK-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121417 974392327 /nfs/dbraw/zinc/39/23/27/974392327.db2.gz QBYHINBYAJUVRK-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121417 974392333 /nfs/dbraw/zinc/39/23/33/974392333.db2.gz QBYHINBYAJUVRK-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+](C1CCC([NH3+])CC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172230487 974470771 /nfs/dbraw/zinc/47/07/71/974470771.db2.gz FGTBRFAHTIUWIV-ZRRUAHMRSA-N 2 1 236.359 1.674 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163476 974488845 /nfs/dbraw/zinc/48/88/45/974488845.db2.gz CKOFOJUJEYXHPT-NEPJUHHUSA-N 2 1 241.310 1.553 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163476 974488851 /nfs/dbraw/zinc/48/88/51/974488851.db2.gz CKOFOJUJEYXHPT-NEPJUHHUSA-N 2 1 241.310 1.553 20 0 BDADMP CO[C@H]1CCC[C@@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001172915823 974966380 /nfs/dbraw/zinc/96/63/80/974966380.db2.gz WYMCVWFRWTXZPL-PWSUYJOCSA-N 2 1 223.320 1.514 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC001173168605 975060095 /nfs/dbraw/zinc/06/00/95/975060095.db2.gz QCSREBZNIGJZRA-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001173275053 975155986 /nfs/dbraw/zinc/15/59/86/975155986.db2.gz LHACSQGTQWETAJ-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP CC[N@H+]1CC[C@@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001173349612 975292470 /nfs/dbraw/zinc/29/24/70/975292470.db2.gz BXJYWXUQPKQHFR-GFCCVEGCSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](n2ccc([C@H](C)[NH3+])n2)C1 ZINC001173350662 975295241 /nfs/dbraw/zinc/29/52/41/975295241.db2.gz OJBOLRFFKOORBP-UWVGGRQHSA-N 2 1 208.309 1.170 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001173355184 975309464 /nfs/dbraw/zinc/30/94/64/975309464.db2.gz NFFBWHXXBARXFI-GXTWGEPZSA-N 2 1 245.370 1.991 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C2CC[NH+](C)CC2)C1 ZINC001173356355 975314521 /nfs/dbraw/zinc/31/45/21/975314521.db2.gz HDZDQVUFPCBWLM-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP CCN1CC[C@H]([N@H+]2C[C@H]3CCCN(C)[C@H]3C2)C1 ZINC001173366731 975350901 /nfs/dbraw/zinc/35/09/01/975350901.db2.gz BJNDDSFNIKZKRU-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@@H+]1CC[C@H](N2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001173366731 975350908 /nfs/dbraw/zinc/35/09/08/975350908.db2.gz BJNDDSFNIKZKRU-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001173366731 975350919 /nfs/dbraw/zinc/35/09/19/975350919.db2.gz BJNDDSFNIKZKRU-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@H]3CCC[N@H+](C)[C@H]3C2)C1 ZINC001173366731 975350927 /nfs/dbraw/zinc/35/09/27/975350927.db2.gz BJNDDSFNIKZKRU-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C1 ZINC001173366731 975350936 /nfs/dbraw/zinc/35/09/36/975350936.db2.gz BJNDDSFNIKZKRU-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001173366981 975351064 /nfs/dbraw/zinc/35/10/64/975351064.db2.gz CUTIXAZJYQNVOE-LBPRGKRZSA-N 2 1 219.332 1.401 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC001333319910 975657874 /nfs/dbraw/zinc/65/78/74/975657874.db2.gz KQFGRRBLDSSGSB-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCOCC3CC3)C[C@]2(C)C1 ZINC001333388756 975740559 /nfs/dbraw/zinc/74/05/59/975740559.db2.gz NHQGAWBZCFVGSL-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCOCC3CC3)C[C@]2(C)C1 ZINC001333388756 975740576 /nfs/dbraw/zinc/74/05/76/975740576.db2.gz NHQGAWBZCFVGSL-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCOCC3CC3)C[C@]2(C)C1 ZINC001333388756 975740586 /nfs/dbraw/zinc/74/05/86/975740586.db2.gz NHQGAWBZCFVGSL-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC001333528895 975830983 /nfs/dbraw/zinc/83/09/83/975830983.db2.gz IJPFJOAOXPKNNF-NDKCEZKHSA-N 2 1 238.375 1.349 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001335469552 977078275 /nfs/dbraw/zinc/07/82/75/977078275.db2.gz NBWHKZQTIOLUBF-XWLWVQCSSA-N 2 1 214.353 1.074 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c[nH]nc32)C[C@H]1C[NH3+] ZINC001336119316 977516602 /nfs/dbraw/zinc/51/66/02/977516602.db2.gz PNVWLUGGPYCFPV-ZWNOBZJWSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011024 977841771 /nfs/dbraw/zinc/84/17/71/977841771.db2.gz GMNPPTJTAZBUSZ-ZWNOBZJWSA-N 2 1 245.326 1.908 20 0 BDADMP c1c(C[N@@H+]2CC[C@@]23CCOC3)[nH]c2cc[nH+]cc12 ZINC001232018576 977843414 /nfs/dbraw/zinc/84/34/14/977843414.db2.gz MLACZJCXZMZBHE-AWEZNQCLSA-N 2 1 243.310 1.928 20 0 BDADMP c1c(C[N@H+]2CC[C@@]23CCOC3)[nH]c2cc[nH+]cc12 ZINC001232018576 977843421 /nfs/dbraw/zinc/84/34/21/977843421.db2.gz MLACZJCXZMZBHE-AWEZNQCLSA-N 2 1 243.310 1.928 20 0 BDADMP C[C@@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)CC[N@H+]1C ZINC001232015403 977844465 /nfs/dbraw/zinc/84/44/65/977844465.db2.gz GWGCNIFXNDSNNT-LLVKDONJSA-N 2 1 244.342 1.699 20 0 BDADMP c1c2c[nH+]ccc2[nH]c1CN1CC[N@H+]2CC[C@H]2C1 ZINC001232018422 977846474 /nfs/dbraw/zinc/84/64/74/977846474.db2.gz KYNJRAAUEHXMDA-ZDUSSCGKSA-N 2 1 242.326 1.453 20 0 BDADMP COC[C@H]1CC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018195 977846671 /nfs/dbraw/zinc/84/66/71/977846671.db2.gz GOPNDERQZPHUKK-GFCCVEGCSA-N 2 1 231.299 1.784 20 0 BDADMP COC[C@H]1CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018195 977846673 /nfs/dbraw/zinc/84/66/73/977846673.db2.gz GOPNDERQZPHUKK-GFCCVEGCSA-N 2 1 231.299 1.784 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(N)c1 ZINC001206263215 977986441 /nfs/dbraw/zinc/98/64/41/977986441.db2.gz ROWCVDFQWDQVDI-NSHDSACASA-N 2 1 219.332 1.453 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(N)c1 ZINC001206263215 977986450 /nfs/dbraw/zinc/98/64/50/977986450.db2.gz ROWCVDFQWDQVDI-NSHDSACASA-N 2 1 219.332 1.453 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176281682 978009300 /nfs/dbraw/zinc/00/93/00/978009300.db2.gz ONYITLPOOFENAP-AVGNSLFASA-N 2 1 249.358 1.361 20 0 BDADMP COCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296917 978308690 /nfs/dbraw/zinc/30/86/90/978308690.db2.gz VKQBXKRXSXTWRH-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP COCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296925 978308796 /nfs/dbraw/zinc/30/87/96/978308796.db2.gz VLZPBBMBLJFPHC-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnoc2)CC1 ZINC001206305441 978387088 /nfs/dbraw/zinc/38/70/88/978387088.db2.gz ZLIWGCOEPHOTNL-GFCCVEGCSA-N 2 1 223.320 1.626 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001233189222 978489656 /nfs/dbraw/zinc/48/96/56/978489656.db2.gz QYSNUOADZDBMAJ-UHFFFAOYSA-N 2 1 249.358 1.622 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001233189222 978489662 /nfs/dbraw/zinc/48/96/62/978489662.db2.gz QYSNUOADZDBMAJ-UHFFFAOYSA-N 2 1 249.358 1.622 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000069860934 978765819 /nfs/dbraw/zinc/76/58/19/978765819.db2.gz IIVUJKWTLRGDEG-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP CCC(=O)C[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001277852317 978825450 /nfs/dbraw/zinc/82/54/50/978825450.db2.gz RQXUBOSGHJZADY-OLZOCXBDSA-N 2 1 224.348 1.620 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(C)[nH+]1 ZINC001234653734 978890471 /nfs/dbraw/zinc/89/04/71/978890471.db2.gz BWQYDLIKHTWAPL-JSGCOSHPSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c(C)[nH+]1 ZINC001234653734 978890475 /nfs/dbraw/zinc/89/04/75/978890475.db2.gz BWQYDLIKHTWAPL-JSGCOSHPSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)oc1C ZINC001234981825 978942329 /nfs/dbraw/zinc/94/23/29/978942329.db2.gz LUIDESZGOMTKSO-AWEZNQCLSA-N 2 1 249.358 1.034 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235073813 978968525 /nfs/dbraw/zinc/96/85/25/978968525.db2.gz XMPUGZMZCVSXPY-XVIXHAIJSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235073813 978968529 /nfs/dbraw/zinc/96/85/29/978968529.db2.gz XMPUGZMZCVSXPY-XVIXHAIJSA-N 2 1 238.375 1.626 20 0 BDADMP CCC1(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)COC1 ZINC001235126099 978979503 /nfs/dbraw/zinc/97/95/03/978979503.db2.gz RZSCBJZXFYMKIB-CQSZACIVSA-N 2 1 238.375 1.631 20 0 BDADMP CCC1(C[N@H+]2CCCC[C@]23CC[NH2+]C3)COC1 ZINC001235126099 978979506 /nfs/dbraw/zinc/97/95/06/978979506.db2.gz RZSCBJZXFYMKIB-CQSZACIVSA-N 2 1 238.375 1.631 20 0 BDADMP COCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123126 978979665 /nfs/dbraw/zinc/97/96/65/978979665.db2.gz JAKZHOKYGZTETB-CYBMUJFWSA-N 2 1 226.364 1.631 20 0 BDADMP COCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123126 978979668 /nfs/dbraw/zinc/97/96/68/978979668.db2.gz JAKZHOKYGZTETB-CYBMUJFWSA-N 2 1 226.364 1.631 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC001235138633 978980709 /nfs/dbraw/zinc/98/07/09/978980709.db2.gz BSUOOQHLJCRDGA-LBPRGKRZSA-N 2 1 245.370 1.793 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC2(CC(F)C2)CC1 ZINC001235135884 978982157 /nfs/dbraw/zinc/98/21/57/978982157.db2.gz QWDBFQHTFSQAII-VIFPVBQESA-N 2 1 200.301 1.548 20 0 BDADMP C(C[N@H+]1CCCC[C@@]12CCC[NH2+]C2)C1C[NH2+]C1 ZINC001235174709 978989873 /nfs/dbraw/zinc/98/98/73/978989873.db2.gz VDZFAPUWVSZLEY-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C(CN1CCCC[C@@]12CCC[NH2+]C2)C1C[NH2+]C1 ZINC001235174709 978989882 /nfs/dbraw/zinc/98/98/82/978989882.db2.gz VDZFAPUWVSZLEY-AWEZNQCLSA-N 2 1 237.391 1.204 20 0 BDADMP OCCCCC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190994 978992601 /nfs/dbraw/zinc/99/26/01/978992601.db2.gz NGYRKTRREAJOLQ-UHFFFAOYSA-N 2 1 240.391 1.757 20 0 BDADMP OCCCCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190994 978992602 /nfs/dbraw/zinc/99/26/02/978992602.db2.gz NGYRKTRREAJOLQ-UHFFFAOYSA-N 2 1 240.391 1.757 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccnc1N ZINC001181176172 979013028 /nfs/dbraw/zinc/01/30/28/979013028.db2.gz XRHMGTAPKPIJML-UHFFFAOYSA-N 2 1 245.330 1.349 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235453109 979048827 /nfs/dbraw/zinc/04/88/27/979048827.db2.gz SZMQPYMFYCHACB-ZDUSSCGKSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1CC1(C)CC[NH2+]CC1 ZINC001235453109 979048832 /nfs/dbraw/zinc/04/88/32/979048832.db2.gz SZMQPYMFYCHACB-ZDUSSCGKSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001235474784 979051402 /nfs/dbraw/zinc/05/14/02/979051402.db2.gz YVBTXGBPSRORAY-ZDUSSCGKSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@@H]1CN(CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001235474784 979051409 /nfs/dbraw/zinc/05/14/09/979051409.db2.gz YVBTXGBPSRORAY-ZDUSSCGKSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@@H+](CCCC[NH3+])C1CCN(C)CC1 ZINC001235676696 979116123 /nfs/dbraw/zinc/11/61/23/979116123.db2.gz DDAVPHASSKJJDI-UHFFFAOYSA-N 2 1 213.369 1.141 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001235691634 979122958 /nfs/dbraw/zinc/12/29/58/979122958.db2.gz LNGNYXVUBAKNME-CYBMUJFWSA-N 2 1 235.331 1.274 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702110 979130921 /nfs/dbraw/zinc/13/09/21/979130921.db2.gz JKXCWXVRBUOBIR-NSHDSACASA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001235726572 979136130 /nfs/dbraw/zinc/13/61/30/979136130.db2.gz TYHOOHHRAZWLGZ-CYBMUJFWSA-N 2 1 233.359 2.000 20 0 BDADMP COC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC001235827841 979151852 /nfs/dbraw/zinc/15/18/52/979151852.db2.gz RCPBRFOTBHPJSM-UWVGGRQHSA-N 2 1 200.326 1.223 20 0 BDADMP OCCC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001235890401 979180035 /nfs/dbraw/zinc/18/00/35/979180035.db2.gz FDCJKJKIPMYYRW-UHFFFAOYSA-N 2 1 244.354 1.267 20 0 BDADMP COC(=O)[C@]1(C)CCC[N@@H+](CCCC[NH3+])C1 ZINC001235887092 979181668 /nfs/dbraw/zinc/18/16/68/979181668.db2.gz GXNCCVDSWWFCLD-GFCCVEGCSA-N 2 1 228.336 1.000 20 0 BDADMP CC(C)[N@@H+](CCN)CC[C@H]1CCC[NH2+]C1 ZINC001235948119 979219976 /nfs/dbraw/zinc/21/99/76/979219976.db2.gz JUFZHKOMDOMETK-GFCCVEGCSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)N(CC[NH3+])CC[C@H]1CCC[NH2+]C1 ZINC001235948119 979219985 /nfs/dbraw/zinc/21/99/85/979219985.db2.gz JUFZHKOMDOMETK-GFCCVEGCSA-N 2 1 213.369 1.045 20 0 BDADMP CSCCC[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235977492 979241910 /nfs/dbraw/zinc/24/19/10/979241910.db2.gz GUQAHRHJFNFKOS-ZJUUUORDSA-N 2 1 200.351 1.163 20 0 BDADMP CSCCC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235977492 979241922 /nfs/dbraw/zinc/24/19/22/979241922.db2.gz GUQAHRHJFNFKOS-ZJUUUORDSA-N 2 1 200.351 1.163 20 0 BDADMP C[C@@H]([NH3+])CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001235972934 979242377 /nfs/dbraw/zinc/24/23/77/979242377.db2.gz ISJPKKPXMWZVBZ-HZSPNIEDSA-N 2 1 239.407 1.672 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001235977324 979243454 /nfs/dbraw/zinc/24/34/54/979243454.db2.gz GNBDFIITDLRFLJ-MBNYWOFBSA-N 2 1 238.375 1.615 20 0 BDADMP Cc1cccc(CC[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235978276 979253929 /nfs/dbraw/zinc/25/39/29/979253929.db2.gz KCDSSARHYBBPIT-CABCVRRESA-N 2 1 230.355 1.961 20 0 BDADMP Cc1cccc(CC[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235978276 979253941 /nfs/dbraw/zinc/25/39/41/979253941.db2.gz KCDSSARHYBBPIT-CABCVRRESA-N 2 1 230.355 1.961 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCC1CCOCC1)C2 ZINC001235978175 979254081 /nfs/dbraw/zinc/25/40/81/979254081.db2.gz JAUWTTRUQSGYHU-STQMWFEESA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+][C@]12CC[C@@H]1CN(Cc1[nH+]cc3ccccn31)C2 ZINC001235982929 979267216 /nfs/dbraw/zinc/26/72/16/979267216.db2.gz XVOGGXFPSBWJKD-RISCZKNCSA-N 2 1 242.326 1.257 20 0 BDADMP CCCCC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994649 979287734 /nfs/dbraw/zinc/28/77/34/979287734.db2.gz UBWPDKONDLBDQL-FOSCPWQOSA-N 2 1 212.337 1.082 20 0 BDADMP COc1ccc(C[C@H]2CCC[N@H+](CCN)C2)cc1 ZINC001236093632 979385279 /nfs/dbraw/zinc/38/52/79/979385279.db2.gz VDCFZHFXZACAPD-CQSZACIVSA-N 2 1 248.370 1.908 20 0 BDADMP COc1ccc(C[C@H]2CCC[N@@H+](CCN)C2)cc1 ZINC001236093632 979385282 /nfs/dbraw/zinc/38/52/82/979385282.db2.gz VDCFZHFXZACAPD-CQSZACIVSA-N 2 1 248.370 1.908 20 0 BDADMP CCCC[C@@H]1C[N@H+](CCC2C[NH2+]C2)CCN1 ZINC001236134852 979403232 /nfs/dbraw/zinc/40/32/32/979403232.db2.gz IAOKFIHUTZJPMD-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP CCCC[C@@H]1C[N@@H+](CCC2C[NH2+]C2)CCN1 ZINC001236134852 979403245 /nfs/dbraw/zinc/40/32/45/979403245.db2.gz IAOKFIHUTZJPMD-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP CCC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1 ZINC001236177027 979436209 /nfs/dbraw/zinc/43/62/09/979436209.db2.gz PXZMPJOJCPZDAW-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP CCC[C@H]1C[N@H+](CCCCCC[NH3+])CCN1 ZINC001236176915 979436997 /nfs/dbraw/zinc/43/69/97/979436997.db2.gz PGEBETLOWQADCB-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP CCC[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1 ZINC001236176915 979437005 /nfs/dbraw/zinc/43/70/05/979437005.db2.gz PGEBETLOWQADCB-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCCC[C@H]1N ZINC001236211427 979448072 /nfs/dbraw/zinc/44/80/72/979448072.db2.gz HZGDQGGDRATNHY-CHWSQXEVSA-N 2 1 227.396 1.707 20 0 BDADMP CN(CCCCCC[NH3+])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236211427 979448076 /nfs/dbraw/zinc/44/80/76/979448076.db2.gz HZGDQGGDRATNHY-CHWSQXEVSA-N 2 1 227.396 1.707 20 0 BDADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001182308209 979494422 /nfs/dbraw/zinc/49/44/22/979494422.db2.gz HCZHSQAGLLEUHH-AGIUHOORSA-N 2 1 238.375 1.485 20 0 BDADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001182308209 979494427 /nfs/dbraw/zinc/49/44/27/979494427.db2.gz HCZHSQAGLLEUHH-AGIUHOORSA-N 2 1 238.375 1.485 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314275 979523607 /nfs/dbraw/zinc/52/36/07/979523607.db2.gz ANMNPAJQAUTOHK-BETUJISGSA-N 2 1 249.358 1.723 20 0 BDADMP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206506836 979530941 /nfs/dbraw/zinc/53/09/41/979530941.db2.gz SDQXYULQSIYACY-RDBSUJKOSA-N 2 1 240.391 1.620 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCCO)C[C@@H]2C1 ZINC001236323228 979537347 /nfs/dbraw/zinc/53/73/47/979537347.db2.gz ZFMBKNCZTGYBKS-BETUJISGSA-N 2 1 226.364 1.033 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCCO)C[C@@H]2C1 ZINC001236323228 979537353 /nfs/dbraw/zinc/53/73/53/979537353.db2.gz ZFMBKNCZTGYBKS-BETUJISGSA-N 2 1 226.364 1.033 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1C[C@@H]2CC[C@H]1CN2 ZINC001236424518 979597598 /nfs/dbraw/zinc/59/75/98/979597598.db2.gz KQHZOLKZPNUSCP-KBPBESRZSA-N 2 1 249.402 1.202 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1C[C@@H]2CC[C@H]1CN2 ZINC001236424518 979597606 /nfs/dbraw/zinc/59/76/06/979597606.db2.gz KQHZOLKZPNUSCP-KBPBESRZSA-N 2 1 249.402 1.202 20 0 BDADMP C[C@@H](N)C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551681 979633739 /nfs/dbraw/zinc/63/37/39/979633739.db2.gz KTMKMQZTEUGTMH-RAIGVLPGSA-N 2 1 225.380 1.316 20 0 BDADMP [NH3+]CCCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553179 979634257 /nfs/dbraw/zinc/63/42/57/979634257.db2.gz UIOJADJCXMTVMO-HDJSIYSDSA-N 3 1 239.407 1.707 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001342169669 979688724 /nfs/dbraw/zinc/68/87/24/979688724.db2.gz AZWVLHLQXZHAGV-TXEJJXNPSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1cnccc1O[C@H]1CC[N@@H+](CCCO)C1 ZINC001236663376 979689045 /nfs/dbraw/zinc/68/90/45/979689045.db2.gz KKNHHEOWKYJCHO-LBPRGKRZSA-N 2 1 236.315 1.226 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC001206556237 979719246 /nfs/dbraw/zinc/71/92/46/979719246.db2.gz PEQSKJNZHMUYDD-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP C[C@@H](N)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768908 979722328 /nfs/dbraw/zinc/72/23/28/979722328.db2.gz SLGKKGABCRGFHR-JHJVBQTASA-N 2 1 241.423 1.952 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccncn2)C1 ZINC001206556417 979724690 /nfs/dbraw/zinc/72/46/90/979724690.db2.gz RMWSPOYXRIBIFY-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccncn2)C1 ZINC001206556417 979724699 /nfs/dbraw/zinc/72/46/99/979724699.db2.gz RMWSPOYXRIBIFY-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CCCCC[NH3+])CC1 ZINC001205257425 979760723 /nfs/dbraw/zinc/76/07/23/979760723.db2.gz VLGMIMJXEJZXAT-LBPRGKRZSA-N 3 1 213.369 1.319 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255812 979737798 /nfs/dbraw/zinc/73/77/98/979737798.db2.gz LCTHXVKZDAOLER-ZDUSSCGKSA-N 2 1 221.348 1.728 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001205256178 979738319 /nfs/dbraw/zinc/73/83/19/979738319.db2.gz NSOKSFMDTPGQBY-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cn[nH]c2)CC1 ZINC001205255814 979740079 /nfs/dbraw/zinc/74/00/79/979740079.db2.gz LFSBDKIWVFQBRG-NSHDSACASA-N 2 1 208.309 1.113 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001205256924 979748422 /nfs/dbraw/zinc/74/84/22/979748422.db2.gz SHTMOVRJQBKJSF-QWHCGFSZSA-N 2 1 226.364 1.759 20 0 BDADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237173237 979827824 /nfs/dbraw/zinc/82/78/24/979827824.db2.gz OFHBRPFMYVBFLF-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP CCCC[C@@H](CC)C[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237173237 979827825 /nfs/dbraw/zinc/82/78/25/979827825.db2.gz OFHBRPFMYVBFLF-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccnc(F)c2)CC1 ZINC001205273158 979832063 /nfs/dbraw/zinc/83/20/63/979832063.db2.gz GNWJNVUIMPYKME-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccnc(F)c2)CC1 ZINC001205273158 979832069 /nfs/dbraw/zinc/83/20/69/979832069.db2.gz GNWJNVUIMPYKME-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP C1=C2NCC[N@H+](CC[C@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001237220996 979852532 /nfs/dbraw/zinc/85/25/32/979852532.db2.gz URQAAOVYKSKXFA-UKRRQHHQSA-N 2 1 249.402 1.718 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)n1C ZINC001237380832 979876600 /nfs/dbraw/zinc/87/66/00/979876600.db2.gz HQFAJHBJPBFXBE-JSGCOSHPSA-N 2 1 248.374 1.302 20 0 BDADMP Oc1cccnc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395518 979886482 /nfs/dbraw/zinc/88/64/82/979886482.db2.gz XQBNRFAMEYKVKE-VXGBXAGGSA-N 2 1 247.342 1.361 20 0 BDADMP Oc1cccnc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395518 979886489 /nfs/dbraw/zinc/88/64/89/979886489.db2.gz XQBNRFAMEYKVKE-VXGBXAGGSA-N 2 1 247.342 1.361 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237416952 979888787 /nfs/dbraw/zinc/88/87/87/979888787.db2.gz RJWOYTIYHGCXOV-DZGCQCFKSA-N 2 1 245.370 1.843 20 0 BDADMP C[N@H+]1CCCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238103553 980149948 /nfs/dbraw/zinc/14/99/48/980149948.db2.gz MEHRLGCGCSRZQD-UHFFFAOYSA-N 2 1 244.342 1.472 20 0 BDADMP COC[C@@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102737 980150185 /nfs/dbraw/zinc/15/01/85/980150185.db2.gz HYUWVFSEXIEUPY-AWEZNQCLSA-N 2 1 245.326 1.945 20 0 BDADMP COC[C@@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102737 980150191 /nfs/dbraw/zinc/15/01/91/980150191.db2.gz HYUWVFSEXIEUPY-AWEZNQCLSA-N 2 1 245.326 1.945 20 0 BDADMP c1cc(C2=CCC[NH2+]CC2)c2c([nH+]1)NCC2 ZINC001238950535 980390344 /nfs/dbraw/zinc/39/03/44/980390344.db2.gz OXYWXKZPFCQVNU-UHFFFAOYSA-N 2 1 215.300 1.816 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC001345103457 980549622 /nfs/dbraw/zinc/54/96/22/980549622.db2.gz FSOAZOPXTHCMPD-AAVRWANBSA-N 3 1 239.407 1.495 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)CO1 ZINC001347098686 980969219 /nfs/dbraw/zinc/96/92/19/980969219.db2.gz REOPKULGQMLSOP-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnn2)CC[C@@H]1C[NH3+] ZINC001205626549 981274744 /nfs/dbraw/zinc/27/47/44/981274744.db2.gz HBXWLCWHWXEKPY-NWDGAFQWSA-N 2 1 234.347 1.283 20 0 BDADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCCC[C@H]1N ZINC001348840941 981457328 /nfs/dbraw/zinc/45/73/28/981457328.db2.gz PCIZBAQPEKVPAB-VXGBXAGGSA-N 2 1 241.379 1.008 20 0 BDADMP O[C@@]1(C[N@H+]2CC[C@H](C3CCC3)C2)CCC[NH2+]C1 ZINC001580878602 981676522 /nfs/dbraw/zinc/67/65/22/981676522.db2.gz SKYPZAFUDLXMEA-KBPBESRZSA-N 2 1 238.375 1.223 20 0 BDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC001580885648 981706753 /nfs/dbraw/zinc/70/67/53/981706753.db2.gz IPYJITXJGZBGND-QWHCGFSZSA-N 2 1 246.310 1.103 20 0 BDADMP c1ncc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)s1 ZINC001580897183 981731979 /nfs/dbraw/zinc/73/19/79/981731979.db2.gz IQGHSKWHAYNUHQ-ZJUUUORDSA-N 2 1 223.345 1.184 20 0 BDADMP c1ncc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)s1 ZINC001580897183 981731986 /nfs/dbraw/zinc/73/19/86/981731986.db2.gz IQGHSKWHAYNUHQ-ZJUUUORDSA-N 2 1 223.345 1.184 20 0 BDADMP CC1CC(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC001351411603 982316376 /nfs/dbraw/zinc/31/63/76/982316376.db2.gz OYHTUTBCICHHOO-UHFFFAOYSA-N 2 1 234.347 1.578 20 0 BDADMP C[NH+](C)Cc1ccc(C2=CC[N@@H+](C)CC2)nc1 ZINC001241313018 982463324 /nfs/dbraw/zinc/46/33/24/982463324.db2.gz SHEAMIGSJJUACG-UHFFFAOYSA-N 2 1 231.343 1.862 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001205806623 982572218 /nfs/dbraw/zinc/57/22/18/982572218.db2.gz UYTXXUXTTPSFPS-FEPKRQSRSA-N 2 1 237.391 1.317 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N(CCC23CC([NH3+])(C2)C3)C1 ZINC001205806623 982572223 /nfs/dbraw/zinc/57/22/23/982572223.db2.gz UYTXXUXTTPSFPS-FEPKRQSRSA-N 2 1 237.391 1.317 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@H](C)CC[C@H]2CN)c1 ZINC001205843934 982773866 /nfs/dbraw/zinc/77/38/66/982773866.db2.gz UVNBWVURQHNYRB-MFKMUULPSA-N 2 1 249.358 1.655 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205843934 982773899 /nfs/dbraw/zinc/77/38/99/982773899.db2.gz UVNBWVURQHNYRB-MFKMUULPSA-N 2 1 249.358 1.655 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205843934 982773915 /nfs/dbraw/zinc/77/39/15/982773915.db2.gz UVNBWVURQHNYRB-MFKMUULPSA-N 2 1 249.358 1.655 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC000690529666 983013654 /nfs/dbraw/zinc/01/36/54/983013654.db2.gz NYZNYWVRDFHDIR-AGIUHOORSA-N 2 1 226.364 1.330 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)nc(N)[nH+]1 ZINC001354393912 983297667 /nfs/dbraw/zinc/29/76/67/983297667.db2.gz DCBQEIRGAURPRI-GARJFASQSA-N 2 1 247.346 1.119 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](C[NH3+])C2)C[C@@H]1C ZINC000082841774 983384807 /nfs/dbraw/zinc/38/48/07/983384807.db2.gz WDEMJAFDHNFTOH-MROQNXINSA-N 2 1 226.364 1.471 20 0 BDADMP CSCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201696220 983406685 /nfs/dbraw/zinc/40/66/85/983406685.db2.gz IOLMZBZRVPAFGU-UHFFFAOYSA-N 2 1 225.361 1.494 20 0 BDADMP CSCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201696220 983406689 /nfs/dbraw/zinc/40/66/89/983406689.db2.gz IOLMZBZRVPAFGU-UHFFFAOYSA-N 2 1 225.361 1.494 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@]12CCOC2 ZINC001574799659 984119370 /nfs/dbraw/zinc/11/93/70/984119370.db2.gz FHXHCMHTUDSGER-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC001576572272 984173210 /nfs/dbraw/zinc/17/32/10/984173210.db2.gz KGPTUYOUYKMVOC-TZMCWYRMSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001576690639 984180705 /nfs/dbraw/zinc/18/07/05/984180705.db2.gz LHKBIRDVGMOCKY-MCIONIFRSA-N 2 1 240.391 1.781 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001578622163 984216543 /nfs/dbraw/zinc/21/65/43/984216543.db2.gz PMBLOBKIJBYWDS-WCQYABFASA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)CCC[C@@H]1C[NH3+] ZINC001205984472 984217161 /nfs/dbraw/zinc/21/71/61/984217161.db2.gz SCSOIVVQJCEMIH-MGPQQGTHSA-N 2 1 238.375 1.986 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+](C)CCc1ccc(C)cc1 ZINC001578653437 984219651 /nfs/dbraw/zinc/21/96/51/984219651.db2.gz YIUZKXZWVAWGCP-AWEZNQCLSA-N 2 1 236.359 1.050 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)CCc1ccc(C)cc1 ZINC001578653437 984219660 /nfs/dbraw/zinc/21/96/60/984219660.db2.gz YIUZKXZWVAWGCP-AWEZNQCLSA-N 2 1 236.359 1.050 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC001579460957 984276455 /nfs/dbraw/zinc/27/64/55/984276455.db2.gz VHXQLOBQRGYOGY-PWSUYJOCSA-N 2 1 248.374 1.243 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cnc1F ZINC001579601656 984295597 /nfs/dbraw/zinc/29/55/97/984295597.db2.gz YLZBPNLKXAZKTA-VXGBXAGGSA-N 2 1 249.333 1.889 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH2+]1 ZINC000718223580 984406301 /nfs/dbraw/zinc/40/63/01/984406301.db2.gz CCCTUOKZWCZENX-IZMFDJJNSA-N 2 1 236.359 1.236 20 0 BDADMP COCCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274936954 984410536 /nfs/dbraw/zinc/41/05/36/984410536.db2.gz MPDOAVIHWRDSIV-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001274936954 984410549 /nfs/dbraw/zinc/41/05/49/984410549.db2.gz MPDOAVIHWRDSIV-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001274936954 984410559 /nfs/dbraw/zinc/41/05/59/984410559.db2.gz MPDOAVIHWRDSIV-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH2+]1 ZINC000718223581 984412196 /nfs/dbraw/zinc/41/21/96/984412196.db2.gz CCCTUOKZWCZENX-QQKNPXLJSA-N 2 1 236.359 1.236 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[NH2+]1 ZINC000718224003 984412632 /nfs/dbraw/zinc/41/26/32/984412632.db2.gz DIUKZJHPDOYRLD-GLBINXAQSA-N 2 1 236.359 1.236 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275045628 984444157 /nfs/dbraw/zinc/44/41/57/984444157.db2.gz QPWOQKIKLPJSKO-BETUJISGSA-N 2 1 233.359 1.788 20 0 BDADMP C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275045628 984444179 /nfs/dbraw/zinc/44/41/79/984444179.db2.gz QPWOQKIKLPJSKO-BETUJISGSA-N 2 1 233.359 1.788 20 0 BDADMP C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275045628 984444196 /nfs/dbraw/zinc/44/41/96/984444196.db2.gz QPWOQKIKLPJSKO-BETUJISGSA-N 2 1 233.359 1.788 20 0 BDADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001275182354 984515708 /nfs/dbraw/zinc/51/57/08/984515708.db2.gz RCTJUYTXFHGSRO-OKILXGFUSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@@H+]1[C@H](C)CN(C(=O)CC(C)(C)[NH3+])C[C@@H]1C ZINC001577781864 984789461 /nfs/dbraw/zinc/78/94/61/984789461.db2.gz SAPZBNFFNQWHFC-PHIMTYICSA-N 2 1 241.379 1.055 20 0 BDADMP CCN[C@H](C)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001577887240 984815130 /nfs/dbraw/zinc/81/51/30/984815130.db2.gz WXFKCPQBFIYLNC-GFCCVEGCSA-N 2 1 227.396 1.306 20 0 BDADMP CCOC(=O)CCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001577945857 984827248 /nfs/dbraw/zinc/82/72/48/984827248.db2.gz NVXQJNKWKBVMCI-UHFFFAOYSA-N 2 1 242.363 1.261 20 0 BDADMP CCOC(C)(C)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001578071306 984838541 /nfs/dbraw/zinc/83/85/41/984838541.db2.gz DWDLEQXMUUQDNF-MRVPVSSYSA-N 2 1 242.285 1.671 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])[C@H]1OC ZINC001578148906 984856256 /nfs/dbraw/zinc/85/62/56/984856256.db2.gz NQBGFSOIQYGMRQ-SYLRKERUSA-N 2 1 242.363 1.038 20 0 BDADMP CCOc1cncc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1 ZINC001578203974 984870228 /nfs/dbraw/zinc/87/02/28/984870228.db2.gz NACSWVWPPWERKI-PHIMTYICSA-N 2 1 221.304 1.060 20 0 BDADMP CCC[C@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257307771 984878683 /nfs/dbraw/zinc/87/86/83/984878683.db2.gz UAWRKHOPDPHEEH-VHSXEESVSA-N 2 1 216.325 1.045 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC001578241895 984893886 /nfs/dbraw/zinc/89/38/86/984893886.db2.gz QZRDXIKTXBVWHA-PZWNZHSQSA-N 2 1 212.337 1.282 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1N[C@H]1CCC[N@@H+](CC)C1 ZINC001578241589 984894410 /nfs/dbraw/zinc/89/44/10/984894410.db2.gz CXLJGVKQATZSRK-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC001578241894 984895186 /nfs/dbraw/zinc/89/51/86/984895186.db2.gz QZRDXIKTXBVWHA-MTVMDMGHSA-N 2 1 212.337 1.282 20 0 BDADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3C[C@H]([NH3+])C3)c12 ZINC001578245784 984897932 /nfs/dbraw/zinc/89/79/32/984897932.db2.gz JVNPQINRTOUHMB-CZMCAQCFSA-N 2 1 245.330 1.621 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001578297201 984960488 /nfs/dbraw/zinc/96/04/88/984960488.db2.gz XXFKFVCUYJQCNR-ZYHUDNBSSA-N 2 1 234.347 1.066 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001578297201 984960508 /nfs/dbraw/zinc/96/05/08/984960508.db2.gz XXFKFVCUYJQCNR-ZYHUDNBSSA-N 2 1 234.347 1.066 20 0 BDADMP C[N@H+](C[C@@](C)(O)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578440601 985066568 /nfs/dbraw/zinc/06/65/68/985066568.db2.gz JVNLUBCPKYRQLI-CBBWQLFWSA-N 2 1 246.354 1.044 20 0 BDADMP C[N@@H+](C[C@@](C)(O)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578440601 985066578 /nfs/dbraw/zinc/06/65/78/985066578.db2.gz JVNLUBCPKYRQLI-CBBWQLFWSA-N 2 1 246.354 1.044 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@]1(O)CCC[NH2+]C1 ZINC001578448142 985083163 /nfs/dbraw/zinc/08/31/63/985083163.db2.gz LHKIYMSHLXBTJH-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[C@H]1O ZINC001578451351 985084042 /nfs/dbraw/zinc/08/40/42/985084042.db2.gz IIKZDAZJNPTTIA-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@@H]1CCCC[C@@H]1O ZINC001578451113 985085609 /nfs/dbraw/zinc/08/56/09/985085609.db2.gz DWTXJLHRIRZVDB-FQUUOJAGSA-N 2 1 240.391 1.597 20 0 BDADMP C[N@@H+](CCC(=O)OC(C)(C)C)CC1(C[NH3+])CC1 ZINC001578461367 985094033 /nfs/dbraw/zinc/09/40/33/985094033.db2.gz KXUPAKALWKZNHQ-UHFFFAOYSA-N 2 1 242.363 1.389 20 0 BDADMP C[N@@H+](C[C@@H]1COC(C)(C)O1)CC1CC[NH2+]CC1 ZINC001578457660 985095711 /nfs/dbraw/zinc/09/57/11/985095711.db2.gz DHXFVERXDUKTMC-GFCCVEGCSA-N 2 1 242.363 1.069 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000691985180 985107696 /nfs/dbraw/zinc/10/76/96/985107696.db2.gz JYAIXOYTKROGDR-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](CCc1cnccn1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578480892 985108988 /nfs/dbraw/zinc/10/89/88/985108988.db2.gz NPHRLJVMCPOOBH-NWDGAFQWSA-N 2 1 234.347 1.078 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC001578525307 985147434 /nfs/dbraw/zinc/14/74/34/985147434.db2.gz VFDVTFOKRXFGMA-NDBYEHHHSA-N 2 1 237.391 1.342 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000687189786 985255313 /nfs/dbraw/zinc/25/53/13/985255313.db2.gz AUTGLLVQBHUIFF-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP CO[C@@H]1CC[C@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000687204874 985258486 /nfs/dbraw/zinc/25/84/86/985258486.db2.gz LXWSWQIBZMTQIR-WCQYABFASA-N 2 1 226.364 1.628 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)CC1CCCCCC1 ZINC001578651983 985267572 /nfs/dbraw/zinc/26/75/72/985267572.db2.gz CGNRRPLPXVMPGE-ZDUSSCGKSA-N 2 1 228.380 1.469 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC001578653848 985272339 /nfs/dbraw/zinc/27/23/39/985272339.db2.gz FBKYTSHSFJFTEZ-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@]12CCOC2 ZINC001578687066 985292934 /nfs/dbraw/zinc/29/29/34/985292934.db2.gz JILWKVWTLHSJGJ-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP COC(=O)[C@@]1(C)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001578779031 985344197 /nfs/dbraw/zinc/34/41/97/985344197.db2.gz XUHNRZVRAPNCFO-ZDUSSCGKSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC001578798718 985368183 /nfs/dbraw/zinc/36/81/83/985368183.db2.gz ZDUZZRCRRZSYRT-NXEZZACHSA-N 2 1 230.352 1.291 20 0 BDADMP COC(=O)CC1CC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001578803474 985376538 /nfs/dbraw/zinc/37/65/38/985376538.db2.gz QLHSVHJOIFKHCR-HBIQZDMRSA-N 2 1 240.347 1.058 20 0 BDADMP COC(=O)[C@H](C)[N@@H+](C)CCCCCCC[NH3+] ZINC001578845891 985420840 /nfs/dbraw/zinc/42/08/40/985420840.db2.gz HGWGECCYUUBVIE-NSHDSACASA-N 2 1 230.352 1.389 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCN[C@@H]1C ZINC001578897203 985470329 /nfs/dbraw/zinc/47/03/29/985470329.db2.gz SZSYRNYJKPSANK-ZRUFSTJUSA-N 2 1 200.326 1.140 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001578897203 985470348 /nfs/dbraw/zinc/47/03/48/985470348.db2.gz SZSYRNYJKPSANK-ZRUFSTJUSA-N 2 1 200.326 1.140 20 0 BDADMP CO[C@@H](C)CN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001578899955 985476166 /nfs/dbraw/zinc/47/61/66/985476166.db2.gz AHUSOKBODXBIST-ZWKOPEQDSA-N 2 1 220.316 1.236 20 0 BDADMP CO[C@H](CC(C)C)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC001578900095 985477054 /nfs/dbraw/zinc/47/70/54/985477054.db2.gz BSKBRTZBTPXRBL-NEPJUHHUSA-N 2 1 228.380 1.717 20 0 BDADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCC[NH2+]CC1 ZINC001578914613 985512696 /nfs/dbraw/zinc/51/26/96/985512696.db2.gz CRVCDJCZCLPUHJ-HNNXBMFYSA-N 2 1 248.370 1.539 20 0 BDADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC001578914613 985512715 /nfs/dbraw/zinc/51/27/15/985512715.db2.gz CRVCDJCZCLPUHJ-HNNXBMFYSA-N 2 1 248.370 1.539 20 0 BDADMP COC1(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578926870 985522843 /nfs/dbraw/zinc/52/28/43/985522843.db2.gz PCUZEAIJQKQMGW-DGCLKSJQSA-N 2 1 224.348 1.369 20 0 BDADMP Cc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)nn1C ZINC000688058748 985542564 /nfs/dbraw/zinc/54/25/64/985542564.db2.gz QVWPXUQUOOBTLW-UHFFFAOYSA-N 2 1 236.363 1.430 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCC2 ZINC001578935713 985546155 /nfs/dbraw/zinc/54/61/55/985546155.db2.gz KNDZQEAURZAWIA-KKOKHZNYSA-N 2 1 224.348 1.142 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC001578940270 985554667 /nfs/dbraw/zinc/55/46/67/985554667.db2.gz CZNOSDPGWRPKSF-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP Cc1cc(/C=C/C2CC[NH2+]CC2)c[nH+]c1N ZINC001243895933 985581214 /nfs/dbraw/zinc/58/12/14/985581214.db2.gz JICXEOOOJWBPJB-NSCUHMNNSA-N 2 1 217.316 1.985 20 0 BDADMP COC[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)C(C)C ZINC001578961318 985584501 /nfs/dbraw/zinc/58/45/01/985584501.db2.gz HHWJFKZXGBBMIS-VXGBXAGGSA-N 2 1 214.353 1.232 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+]Cc1cccc(C)c1 ZINC001579002374 985654091 /nfs/dbraw/zinc/65/40/91/985654091.db2.gz AWRIKDXABRHWLD-CYBMUJFWSA-N 2 1 222.332 1.448 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1F ZINC001579004541 985669309 /nfs/dbraw/zinc/66/93/09/985669309.db2.gz USFMAYNFOILDTE-GARJFASQSA-N 2 1 218.316 1.221 20 0 BDADMP COc1cc(CC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)ccn1 ZINC001579150168 985817064 /nfs/dbraw/zinc/81/70/64/985817064.db2.gz GITUKQVYZUCDQM-DGCLKSJQSA-N 2 1 249.358 1.220 20 0 BDADMP COc1cncc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC001579321399 985840508 /nfs/dbraw/zinc/84/05/08/985840508.db2.gz IBDMCVLMVGUDIP-PWSUYJOCSA-N 2 1 235.331 1.035 20 0 BDADMP CSC1(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001579364864 985860210 /nfs/dbraw/zinc/86/02/10/985860210.db2.gz DFCCLTLJGIGYRB-RKDXNWHRSA-N 2 1 200.351 1.080 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cscn2)C[C@H]1C[NH3+] ZINC001579440669 985923762 /nfs/dbraw/zinc/92/37/62/985923762.db2.gz OBAAQRXDLQAXPB-NXEZZACHSA-N 2 1 225.361 1.212 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC001579454618 985939326 /nfs/dbraw/zinc/93/93/26/985939326.db2.gz PCGZNXMXSFUPCP-AGIUHOORSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC001579460929 985956827 /nfs/dbraw/zinc/95/68/27/985956827.db2.gz UFQFYJSSUZAVLP-MFKMUULPSA-N 2 1 246.358 1.299 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CCC[C@H]1CCOC1)C2 ZINC001579474004 985979561 /nfs/dbraw/zinc/97/95/61/985979561.db2.gz UGFYGHBBAKGXDN-MJBXVCDLSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](C[C@H]1CC1(Cl)Cl)C2 ZINC001579474093 985980590 /nfs/dbraw/zinc/98/05/90/985980590.db2.gz XFFJLQNGSNRWTN-BBBLOLIVSA-N 2 1 249.185 1.722 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@H]1CC1(Cl)Cl)C2 ZINC001579474093 985980597 /nfs/dbraw/zinc/98/05/97/985980597.db2.gz XFFJLQNGSNRWTN-BBBLOLIVSA-N 2 1 249.185 1.722 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCCO1 ZINC001461126928 986011998 /nfs/dbraw/zinc/01/19/98/986011998.db2.gz NDXYPFBXIUUJHO-ZDUSSCGKSA-N 2 1 249.358 1.806 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001579544442 986074422 /nfs/dbraw/zinc/07/44/22/986074422.db2.gz ZAARCFPEHKHIPE-FUNVUKJBSA-N 2 1 247.342 1.468 20 0 BDADMP Cc1cc(C)cc(C[NH2+]C[C@]2(O)CC[NH2+]C2)c1 ZINC001579581043 986092379 /nfs/dbraw/zinc/09/23/79/986092379.db2.gz FEMKIGGJTGLXHU-AWEZNQCLSA-N 2 1 234.343 1.117 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCOC[C@@H]2C)CC1 ZINC001461865605 986205219 /nfs/dbraw/zinc/20/52/19/986205219.db2.gz FJIMISSKOXMJCE-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1cccc(C[NH2+]C[C@]2(O)CC[NH2+]C2)c1C ZINC001579761011 986218194 /nfs/dbraw/zinc/21/81/94/986218194.db2.gz URLWDRSXGHHTLU-AWEZNQCLSA-N 2 1 234.343 1.117 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001579819788 986244098 /nfs/dbraw/zinc/24/40/98/986244098.db2.gz RQQJOPPJPDNPJT-ADEWGFFLSA-N 2 1 234.347 1.373 20 0 BDADMP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001579819788 986244115 /nfs/dbraw/zinc/24/41/15/986244115.db2.gz RQQJOPPJPDNPJT-ADEWGFFLSA-N 2 1 234.347 1.373 20 0 BDADMP CNc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001461944110 986244803 /nfs/dbraw/zinc/24/48/03/986244803.db2.gz WTIYUBXSBGBITJ-BETUJISGSA-N 2 1 231.343 1.380 20 0 BDADMP Cc1nc(C(C)(C)[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)no1 ZINC001579846159 986266055 /nfs/dbraw/zinc/26/60/55/986266055.db2.gz WGVRFVMXRHZXNT-VHSXEESVSA-N 2 1 238.335 1.330 20 0 BDADMP Cc1nnc([C@H]2CC[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)[nH]1 ZINC001579853053 986276507 /nfs/dbraw/zinc/27/65/07/986276507.db2.gz NRHFETGSKQPTEM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1n[nH]c([C@H]2CC[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)n1 ZINC001579853053 986276522 /nfs/dbraw/zinc/27/65/22/986276522.db2.gz NRHFETGSKQPTEM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1n[nH]c([C@H]2CC[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)n1 ZINC001579853053 986276535 /nfs/dbraw/zinc/27/65/35/986276535.db2.gz NRHFETGSKQPTEM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1nc([C@H]2CC[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)n[nH]1 ZINC001579853053 986276550 /nfs/dbraw/zinc/27/65/50/986276550.db2.gz NRHFETGSKQPTEM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1nc([C@H]2CC[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)n[nH]1 ZINC001579853053 986276558 /nfs/dbraw/zinc/27/65/58/986276558.db2.gz NRHFETGSKQPTEM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCn2ccnc21 ZINC001462145301 986299198 /nfs/dbraw/zinc/29/91/98/986299198.db2.gz HHIOFXXQQWGHER-LBPRGKRZSA-N 2 1 245.330 1.513 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001579971714 986374821 /nfs/dbraw/zinc/37/48/21/986374821.db2.gz WOKWNOXSBORBDF-OLZOCXBDSA-N 2 1 219.332 1.066 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCOCC3)[C@@H]2C1 ZINC001462668173 986498454 /nfs/dbraw/zinc/49/84/54/986498454.db2.gz MUBYTEQIIJKMDY-FQUUOJAGSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+]CC1(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CCC1 ZINC001580244500 986696068 /nfs/dbraw/zinc/69/60/68/986696068.db2.gz ZDMSPVPVDOHUTI-FUNVUKJBSA-N 2 1 238.375 1.208 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC001580387045 986811548 /nfs/dbraw/zinc/81/15/48/986811548.db2.gz HHMHSRPILPXAGE-IGQOVBAYSA-N 2 1 238.375 1.208 20 0 BDADMP C[N@H+]1C[C@H]2CCCN([C@H]3CCC[NH+](C)C3)[C@@H]2C1 ZINC001255490816 986988688 /nfs/dbraw/zinc/98/86/88/986988688.db2.gz YIGHTGYVKSIBKE-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2CCCN([C@H]3CCC[N@H+](C)C3)[C@@H]2C1 ZINC001255490816 986988701 /nfs/dbraw/zinc/98/87/01/986988701.db2.gz YIGHTGYVKSIBKE-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2CCCN([C@H]3CCC[N@@H+](C)C3)[C@@H]2C1 ZINC001255490816 986988713 /nfs/dbraw/zinc/98/87/13/986988713.db2.gz YIGHTGYVKSIBKE-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@H+]1C[C@H]2CCCN([C@H]3CCC[NH+](C)C3)[C@H]2C1 ZINC001255490819 986990040 /nfs/dbraw/zinc/99/00/40/986990040.db2.gz YIGHTGYVKSIBKE-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2CCCN([C@H]3CCC[N@H+](C)C3)[C@H]2C1 ZINC001255490819 986990046 /nfs/dbraw/zinc/99/00/46/986990046.db2.gz YIGHTGYVKSIBKE-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2CCCN([C@H]3CCC[N@@H+](C)C3)[C@H]2C1 ZINC001255490819 986990050 /nfs/dbraw/zinc/99/00/50/986990050.db2.gz YIGHTGYVKSIBKE-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001245972890 987246313 /nfs/dbraw/zinc/24/63/13/987246313.db2.gz FUTOZSIQUVUECE-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)[NH2+]C1 ZINC001245989559 987272750 /nfs/dbraw/zinc/27/27/50/987272750.db2.gz GZAXOMGWLMVZCS-UTUOFQBUSA-N 2 1 228.380 1.371 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@@H](O)C(C)(C)C ZINC001246016549 987301816 /nfs/dbraw/zinc/30/18/16/987301816.db2.gz LYBLKFTUJHXQAR-GARJFASQSA-N 2 1 214.353 1.205 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@@H](O)C(C)(C)C ZINC001246016549 987301823 /nfs/dbraw/zinc/30/18/23/987301823.db2.gz LYBLKFTUJHXQAR-GARJFASQSA-N 2 1 214.353 1.205 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016539 987300726 /nfs/dbraw/zinc/30/07/26/987300726.db2.gz LWZLVZGBYABQBH-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693715918 987313025 /nfs/dbraw/zinc/31/30/25/987313025.db2.gz GFLRGSLVXFMDAD-FRRDWIJNSA-N 2 1 248.374 1.584 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](C[C@@H](O)C(F)(F)F)CC1 ZINC001246022907 987313518 /nfs/dbraw/zinc/31/35/18/987313518.db2.gz QVGOLNWDAFHXDS-RKDXNWHRSA-N 2 1 240.269 1.113 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H](O)C(F)(F)F)CC1 ZINC001246022907 987313524 /nfs/dbraw/zinc/31/35/24/987313524.db2.gz QVGOLNWDAFHXDS-RKDXNWHRSA-N 2 1 240.269 1.113 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246025346 987316541 /nfs/dbraw/zinc/31/65/41/987316541.db2.gz WWWSCXFZBIBQBA-ZIAGYGMSSA-N 2 1 242.407 1.988 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246025918 987321240 /nfs/dbraw/zinc/32/12/40/987321240.db2.gz YHIQSBVKTVPORE-AAEUAGOBSA-N 2 1 246.370 1.546 20 0 BDADMP CCC[C@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246027586 987323093 /nfs/dbraw/zinc/32/30/93/987323093.db2.gz AXHUQGSZWFKQHG-STQMWFEESA-N 2 1 226.364 1.365 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246027586 987323098 /nfs/dbraw/zinc/32/30/98/987323098.db2.gz AXHUQGSZWFKQHG-STQMWFEESA-N 2 1 226.364 1.365 20 0 BDADMP CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246033677 987337696 /nfs/dbraw/zinc/33/76/96/987337696.db2.gz ONBDNLRCEUBGIT-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246033677 987337700 /nfs/dbraw/zinc/33/77/00/987337700.db2.gz ONBDNLRCEUBGIT-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246050278 987340163 /nfs/dbraw/zinc/34/01/63/987340163.db2.gz FLOCLDWYXQCMAI-XQQFMLRXSA-N 2 1 226.364 1.079 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078238 987368199 /nfs/dbraw/zinc/36/81/99/987368199.db2.gz CGIOQMFFUQHDCM-AXFHLTTASA-N 2 1 228.336 1.058 20 0 BDADMP C1=C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000698176361 987369000 /nfs/dbraw/zinc/36/90/00/987369000.db2.gz NHJZQWANWPHKDP-LIBFEPKXSA-N 2 1 204.317 1.291 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C[NH2+]1 ZINC001246079298 987373739 /nfs/dbraw/zinc/37/37/39/987373739.db2.gz JRRSHJGFIZULRQ-QCNOEVLYSA-N 2 1 236.359 1.474 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246082188 987375819 /nfs/dbraw/zinc/37/58/19/987375819.db2.gz VKWMCBMZBPILRH-SRVKXCTJSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@]1(C[NH2+]C2CC[NH2+]CC2)CCCC[NH2+]C1 ZINC001246089053 987389017 /nfs/dbraw/zinc/38/90/17/987389017.db2.gz BDJAKRZKJDGLSA-CYBMUJFWSA-N 3 1 225.380 1.108 20 0 BDADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)CO1 ZINC001246092046 987398496 /nfs/dbraw/zinc/39/84/96/987398496.db2.gz RTAGEONVPNBLBN-MNOVXSKESA-N 2 1 212.337 1.286 20 0 BDADMP CC(C)(C)[C@H]1C[C@H](NCC2(F)C[NH2+]C2)CC[NH2+]1 ZINC001246090963 987398641 /nfs/dbraw/zinc/39/86/41/987398641.db2.gz AOAIRODIAQDNMH-GHMZBOCLSA-N 2 1 243.370 1.054 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246093082 987402828 /nfs/dbraw/zinc/40/28/28/987402828.db2.gz VCJZHEPRBRHJJD-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C[NH2+]1 ZINC001246094498 987405965 /nfs/dbraw/zinc/40/59/65/987405965.db2.gz MWKZYBDWOCSHBD-WHOHXGKFSA-N 2 1 212.337 1.020 20 0 BDADMP C(C[NH2+][C@H]1CCCCNC1)CC1CC[NH2+]CC1 ZINC001246103189 987426687 /nfs/dbraw/zinc/42/66/87/987426687.db2.gz GHZRVZDLHBAWNP-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001246103482 987427866 /nfs/dbraw/zinc/42/78/66/987427866.db2.gz VMQCCWVHSBZVJZ-MPPDQPJWSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105429 987431667 /nfs/dbraw/zinc/43/16/67/987431667.db2.gz MMJQFBFHVIJOCJ-OCCSQVGLSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246109883 987440884 /nfs/dbraw/zinc/44/08/84/987440884.db2.gz KUGJMOSOCFZQHD-ZNSHCXBVSA-N 2 1 200.301 1.607 20 0 BDADMP C[NH2+]CCC[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246112080 987447932 /nfs/dbraw/zinc/44/79/32/987447932.db2.gz KNVDLWCELVQCFN-NWDGAFQWSA-N 3 1 227.396 1.352 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCSC2)[NH2+]C1 ZINC001246116155 987453017 /nfs/dbraw/zinc/45/30/17/987453017.db2.gz UYCUVKGUTLDGRS-MXWKQRLJSA-N 2 1 214.378 1.470 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C)CC[NH2+]1 ZINC001246114935 987453488 /nfs/dbraw/zinc/45/34/88/987453488.db2.gz QKNXDBKLCWKAQC-OLZOCXBDSA-N 3 1 227.396 1.496 20 0 BDADMP C1CC2(C[NH2+]1)CCC([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246119566 987464524 /nfs/dbraw/zinc/46/45/24/987464524.db2.gz HKIOZFIKDHVMOY-MOKVOYLWSA-N 3 1 237.391 1.250 20 0 BDADMP CSCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127126 987472389 /nfs/dbraw/zinc/47/23/89/987472389.db2.gz ANZOQZUQKYTKQC-ZJUUUORDSA-N 2 1 214.378 1.470 20 0 BDADMP C1CC12C[NH2+]C[C@H]2[NH2+]C1CCSCC1 ZINC001246132806 987473266 /nfs/dbraw/zinc/47/32/66/987473266.db2.gz MEHCTDBOZJTGGG-SNVBAGLBSA-N 2 1 212.362 1.224 20 0 BDADMP C1[C@H]2C[NH2+]C[C@@]12[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246132469 987480746 /nfs/dbraw/zinc/48/07/46/987480746.db2.gz DEBYAPDUXGKEGE-PPWQZUPISA-N 3 1 249.402 1.250 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246131497 987482447 /nfs/dbraw/zinc/48/24/47/987482447.db2.gz ZCXFLSMYKWROBM-FIQHERPVSA-N 2 1 208.349 1.763 20 0 BDADMP c1nc2c(s1)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246131476 987483946 /nfs/dbraw/zinc/48/39/46/987483946.db2.gz YSCRLXMUPPFSQN-ZJUUUORDSA-N 2 1 237.372 1.342 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246162352 987523525 /nfs/dbraw/zinc/52/35/25/987523525.db2.gz OZWGTRDCUMUHBX-KBPBESRZSA-N 3 1 239.407 1.593 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(N)=O)CC[NH2+]1 ZINC001246181576 987552602 /nfs/dbraw/zinc/55/26/02/987552602.db2.gz ZTTSXDWJBHSYEU-ZYHUDNBSSA-N 2 1 247.342 1.016 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246200661 987596657 /nfs/dbraw/zinc/59/66/57/987596657.db2.gz ALCZLKYYTFLZCM-BFHYXJOUSA-N 3 1 241.423 1.966 20 0 BDADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246204609 987600239 /nfs/dbraw/zinc/60/02/39/987600239.db2.gz ICGJICFAHTYCLG-SRVKXCTJSA-N 2 1 240.347 1.060 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC3CCN(CC3)C2)C1 ZINC001246205503 987602267 /nfs/dbraw/zinc/60/22/67/987602267.db2.gz OIMILGLZHUHYOW-MCIONIFRSA-N 2 1 237.391 1.330 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCCO)C1 ZINC001116505161 987607084 /nfs/dbraw/zinc/60/70/84/987607084.db2.gz CMXBZZBYAYCUNF-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001116499172 987609411 /nfs/dbraw/zinc/60/94/11/987609411.db2.gz YSMBKXQXURCKLZ-HZSPNIEDSA-N 2 1 242.407 2.000 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246232124 987629059 /nfs/dbraw/zinc/62/90/59/987629059.db2.gz WHSSQZNXHROGPA-RFGFWPKPSA-N 3 1 239.407 1.623 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CCC(=O)CC2)C[NH2+]1 ZINC001246237347 987634525 /nfs/dbraw/zinc/63/45/25/987634525.db2.gz SDJOUROJVZKLOL-GXSJLCMTSA-N 2 1 210.321 1.228 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246236481 987635851 /nfs/dbraw/zinc/63/58/51/987635851.db2.gz LFLJSVXCGUNDHM-DGAVXFQQSA-N 3 1 239.407 1.767 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC001246254620 987653878 /nfs/dbraw/zinc/65/38/78/987653878.db2.gz ZGABNNYBIKRNHQ-DGCLKSJQSA-N 2 1 225.380 1.106 20 0 BDADMP C[NH+](C)CCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246262564 987658334 /nfs/dbraw/zinc/65/83/34/987658334.db2.gz IGEAXSNFXOMFEN-FUNVUKJBSA-N 3 1 239.407 1.589 20 0 BDADMP O=C1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246265646 987659187 /nfs/dbraw/zinc/65/91/87/987659187.db2.gz PCLBKVHUCPRUBQ-AYLPWXGPSA-N 2 1 222.332 1.371 20 0 BDADMP CC[NH2+]CC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246268755 987663018 /nfs/dbraw/zinc/66/30/18/987663018.db2.gz APIMTXCWRQCSSV-UHFFFAOYSA-N 3 1 239.407 1.498 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246275613 987669537 /nfs/dbraw/zinc/66/95/37/987669537.db2.gz AWTSERPHDZGDCV-PDWCTOEPSA-N 3 1 239.407 1.765 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246274955 987670882 /nfs/dbraw/zinc/67/08/82/987670882.db2.gz XMJGHYMWUWPIST-MCIONIFRSA-N 3 1 239.407 1.495 20 0 BDADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246297503 987688701 /nfs/dbraw/zinc/68/87/01/987688701.db2.gz GTBPRYJPVPJKBH-XUXIUFHCSA-N 2 1 242.407 1.761 20 0 BDADMP CCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246299790 987692341 /nfs/dbraw/zinc/69/23/41/987692341.db2.gz MWDQACFPNRKJKK-YNEHKIRRSA-N 2 1 228.380 1.515 20 0 BDADMP CCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246299489 987693198 /nfs/dbraw/zinc/69/31/98/987693198.db2.gz LDADDNSNEDJPLG-FRRDWIJNSA-N 2 1 228.380 1.515 20 0 BDADMP CC1(C)CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246301245 987696389 /nfs/dbraw/zinc/69/63/89/987696389.db2.gz WZXLYIYXBMKHJB-PWSUYJOCSA-N 2 1 226.364 1.125 20 0 BDADMP CC(C)([NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC001246310844 987713249 /nfs/dbraw/zinc/71/32/49/987713249.db2.gz NSHAJCIUNXSLLF-UHFFFAOYSA-N 2 1 219.332 1.658 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246311636 987713800 /nfs/dbraw/zinc/71/38/00/987713800.db2.gz WYRUERQNANEPTQ-AVGNSLFASA-N 2 1 228.380 1.371 20 0 BDADMP CC[C@@H](N)C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246314021 987714505 /nfs/dbraw/zinc/71/45/05/987714505.db2.gz MWFXSGNMWXCFED-IYXRBSQSSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[NH2+]1 ZINC001246316040 987719558 /nfs/dbraw/zinc/71/95/58/987719558.db2.gz OKVIZYYGSYKQLH-LVGORTOPSA-N 2 1 246.354 1.375 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@](C)(CO)c2ccccc2)CC[NH2+]1 ZINC001246326855 987730846 /nfs/dbraw/zinc/73/08/46/987730846.db2.gz OVJPATSXBJMSEF-VHDGCEQUSA-N 2 1 248.370 1.624 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2Oc3ccccc3O2)CC[NH2+]1 ZINC001246328140 987735929 /nfs/dbraw/zinc/73/59/29/987735929.db2.gz XEGPYQKDQSMDLX-GHMZBOCLSA-N 2 1 248.326 1.514 20 0 BDADMP C[C@H]1C[C@H](NCC[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC001246358427 987764164 /nfs/dbraw/zinc/76/41/64/987764164.db2.gz FEKHPZJSEBVIAY-YNEHKIRRSA-N 3 1 225.380 1.201 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC001246358427 987764170 /nfs/dbraw/zinc/76/41/70/987764170.db2.gz FEKHPZJSEBVIAY-YNEHKIRRSA-N 3 1 225.380 1.201 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC001246358427 987764178 /nfs/dbraw/zinc/76/41/78/987764178.db2.gz FEKHPZJSEBVIAY-YNEHKIRRSA-N 3 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH2+]1 ZINC001246359827 987767039 /nfs/dbraw/zinc/76/70/39/987767039.db2.gz CZFSFNZIVRVDTO-BNOWGMLFSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC001246361339 987767097 /nfs/dbraw/zinc/76/70/97/987767097.db2.gz LCBTZPWVMIDGOH-OLZOCXBDSA-N 2 1 225.380 1.058 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246362498 987768494 /nfs/dbraw/zinc/76/84/94/987768494.db2.gz MAGFWZFOVLYNBU-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246360264 987768573 /nfs/dbraw/zinc/76/85/73/987768573.db2.gz WQHNDBWZYRFFFG-FRRDWIJNSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@H]1C[C@@H](NCc2[nH+]cn3ccccc23)CC[NH2+]1 ZINC001246397680 987784895 /nfs/dbraw/zinc/78/48/95/987784895.db2.gz SWHNTJIXWXHKOS-RYUDHWBXSA-N 2 1 244.342 1.564 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001246402307 987784998 /nfs/dbraw/zinc/78/49/98/987784998.db2.gz VTHDQPNPPTUVDY-MXWKQRLJSA-N 2 1 228.336 1.045 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2CCF)CC[NH2+]1 ZINC001246427278 987796639 /nfs/dbraw/zinc/79/66/39/987796639.db2.gz KBFJPVIEFRWUKH-MNOVXSKESA-N 2 1 240.326 1.083 20 0 BDADMP c1cncc(CC2(C[NH2+][C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246435471 987798690 /nfs/dbraw/zinc/79/86/90/987798690.db2.gz RALJMMDCMRJRCW-AWEZNQCLSA-N 2 1 245.370 1.746 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453833 987810516 /nfs/dbraw/zinc/81/05/16/987810516.db2.gz PYVRYOSAMDOOMH-NWDGAFQWSA-N 3 1 213.369 1.093 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)C1CC1 ZINC001474756352 987818200 /nfs/dbraw/zinc/81/82/00/987818200.db2.gz CVCBODRNAKOLIH-WKSBVSIWSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C[NH2+]1 ZINC001246460550 987819754 /nfs/dbraw/zinc/81/97/54/987819754.db2.gz UVMGKUWEXODURW-OBPIAQAESA-N 2 1 208.349 1.905 20 0 BDADMP c1ccc2c(c1)NC[C@@H]2C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246475592 987831790 /nfs/dbraw/zinc/83/17/90/987831790.db2.gz UZHBGTMDGOHLPD-RYUDHWBXSA-N 2 1 231.343 1.537 20 0 BDADMP Cc1ncncc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246473221 987832465 /nfs/dbraw/zinc/83/24/65/987832465.db2.gz HFOHTKYOPXNISL-CABZTGNLSA-N 2 1 220.320 1.015 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@H]2N)CC1 ZINC001246480286 987838224 /nfs/dbraw/zinc/83/82/24/987838224.db2.gz YHQISJHCJITDLT-PQAZSJQKSA-N 2 1 239.407 1.719 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@@H]2CNCC[C@@H]2F)CC1 ZINC001246482008 987839980 /nfs/dbraw/zinc/83/99/80/987839980.db2.gz KUYWNLLPHQYEOF-IFWUJCSASA-N 2 1 243.370 1.149 20 0 BDADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488272 987843394 /nfs/dbraw/zinc/84/33/94/987843394.db2.gz JKAZOKVKQJYOSY-HUUCEWRRSA-N 2 1 247.386 1.159 20 0 BDADMP CCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246490141 987844313 /nfs/dbraw/zinc/84/43/13/987844313.db2.gz OJZIKONNHHPDEY-QWHCGFSZSA-N 2 1 227.396 1.496 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246489418 987845075 /nfs/dbraw/zinc/84/50/75/987845075.db2.gz NKTGULGGUVKQPQ-CHWSQXEVSA-N 2 1 227.396 1.352 20 0 BDADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2)C1 ZINC001246491516 987847216 /nfs/dbraw/zinc/84/72/16/987847216.db2.gz SRCQWKJLLCONSE-RYUDHWBXSA-N 2 1 225.380 1.106 20 0 BDADMP CCCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246491043 987848154 /nfs/dbraw/zinc/84/81/54/987848154.db2.gz SGWLYFQQYQQRFJ-UONOGXRCSA-N 2 1 241.423 1.886 20 0 BDADMP c1cn2cc(C[NH2+]C3CC[NH2+]CC3)ccc2n1 ZINC001246495530 987849603 /nfs/dbraw/zinc/84/96/03/987849603.db2.gz PTLSLDJNNKAJEM-UHFFFAOYSA-N 2 1 230.315 1.176 20 0 BDADMP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@@H]2CCCNC2)C1 ZINC001246495054 987851114 /nfs/dbraw/zinc/85/11/14/987851114.db2.gz FBQSUIMQEBCPCO-UONOGXRCSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CCCNC2)C1 ZINC001246495054 987851115 /nfs/dbraw/zinc/85/11/15/987851115.db2.gz FBQSUIMQEBCPCO-UONOGXRCSA-N 2 1 239.407 1.579 20 0 BDADMP Cc1ccc([C@@H](CO)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246500093 987853517 /nfs/dbraw/zinc/85/35/17/987853517.db2.gz OKTMOBFGDMNSOX-BPLDGKMQSA-N 2 1 248.370 1.759 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CCCO1 ZINC001246517663 987867067 /nfs/dbraw/zinc/86/70/67/987867067.db2.gz AUPLNLCSAGTSBA-BJDJZHNGSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C2CC(F)(F)C2)CC[NH2+]1 ZINC001246523306 987873537 /nfs/dbraw/zinc/87/35/37/987873537.db2.gz AOFZQLGOEMWLRE-BDAKNGLRSA-N 2 1 218.291 1.856 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CC(F)(F)C2)CC[NH2+]1 ZINC001246523306 987873542 /nfs/dbraw/zinc/87/35/42/987873542.db2.gz AOFZQLGOEMWLRE-BDAKNGLRSA-N 2 1 218.291 1.856 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[NH2+]CC1)C2 ZINC001246522320 987873619 /nfs/dbraw/zinc/87/36/19/987873619.db2.gz CEIRDHNYTSQOBS-WDNDVIMCSA-N 2 1 237.391 1.297 20 0 BDADMP C1CO[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246526245 987880227 /nfs/dbraw/zinc/88/02/27/987880227.db2.gz OQSRLTPNHLAJJK-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP C1CO[C@H]2CC[N@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246526245 987880231 /nfs/dbraw/zinc/88/02/31/987880231.db2.gz OQSRLTPNHLAJJK-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246539062 987899263 /nfs/dbraw/zinc/89/92/63/987899263.db2.gz AOXXUCHCNWMMAO-HIFPTAJRSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246543105 987908092 /nfs/dbraw/zinc/90/80/92/987908092.db2.gz TVLOEZJUKZTTEZ-TUAOUCFPSA-N 2 1 212.337 1.367 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542556 987908526 /nfs/dbraw/zinc/90/85/26/987908526.db2.gz QKRPSKKHOHWWTG-DGAVXFQQSA-N 3 1 239.407 1.290 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542556 987908542 /nfs/dbraw/zinc/90/85/42/987908542.db2.gz QKRPSKKHOHWWTG-DGAVXFQQSA-N 3 1 239.407 1.290 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246542020 987909675 /nfs/dbraw/zinc/90/96/75/987909675.db2.gz IODLXQGXMOSBJU-NOOOWODRSA-N 2 1 240.347 1.140 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246542020 987909687 /nfs/dbraw/zinc/90/96/87/987909687.db2.gz IODLXQGXMOSBJU-NOOOWODRSA-N 2 1 240.347 1.140 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1C[NH3+] ZINC001246541022 987911166 /nfs/dbraw/zinc/91/11/66/987911166.db2.gz LKDDVCNUKTUBGH-OFTGVCEQSA-N 2 1 222.376 1.948 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2Cc3cccc(F)c3C2)C[C@H]1C[NH3+] ZINC001246544761 987917795 /nfs/dbraw/zinc/91/77/95/987917795.db2.gz YQKURBTUXUDTEQ-UHTWSYAYSA-N 2 1 248.345 1.820 20 0 BDADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC001246544590 987922569 /nfs/dbraw/zinc/92/25/69/987922569.db2.gz RGAHBCGCVQIITC-NWDGAFQWSA-N 2 1 244.404 1.058 20 0 BDADMP C[C@@H]1CC([N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549692 987932890 /nfs/dbraw/zinc/93/28/90/987932890.db2.gz HQHALNSEQRGOFV-UMSGYPCISA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1CC([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549692 987932899 /nfs/dbraw/zinc/93/28/99/987932899.db2.gz HQHALNSEQRGOFV-UMSGYPCISA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246548196 987939506 /nfs/dbraw/zinc/93/95/06/987939506.db2.gz SPLYOHDTJUXIPH-JSGCOSHPSA-N 2 1 233.359 1.826 20 0 BDADMP CC1CC[NH+](CCCNc2cc(N)[nH+]cn2)CC1 ZINC001321565887 987940968 /nfs/dbraw/zinc/94/09/68/987940968.db2.gz FHVYWUIEYQRKRH-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001246550900 987946007 /nfs/dbraw/zinc/94/60/07/987946007.db2.gz ZIJZSRFAIZAFOQ-ABXWRUBCSA-N 2 1 239.407 1.671 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246552951 987952522 /nfs/dbraw/zinc/95/25/22/987952522.db2.gz WLRZJHXSTBGJDS-QWHCGFSZSA-N 3 1 243.370 1.281 20 0 BDADMP CC[C@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)CCO1 ZINC001246552697 987955810 /nfs/dbraw/zinc/95/58/10/987955810.db2.gz YXKZYXSYCOMAKD-NOOOWODRSA-N 2 1 212.337 1.366 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554569 987956765 /nfs/dbraw/zinc/95/67/65/987956765.db2.gz WPAILHBBSMCLQY-OLZOCXBDSA-N 2 1 225.380 1.284 20 0 BDADMP CCN1CC[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554569 987956779 /nfs/dbraw/zinc/95/67/79/987956779.db2.gz WPAILHBBSMCLQY-OLZOCXBDSA-N 2 1 225.380 1.284 20 0 BDADMP CCN1CC[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554569 987956790 /nfs/dbraw/zinc/95/67/90/987956790.db2.gz WPAILHBBSMCLQY-OLZOCXBDSA-N 2 1 225.380 1.284 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554570 987957440 /nfs/dbraw/zinc/95/74/40/987957440.db2.gz WPAILHBBSMCLQY-QWHCGFSZSA-N 2 1 225.380 1.284 20 0 BDADMP CCN1CC[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554570 987957449 /nfs/dbraw/zinc/95/74/49/987957449.db2.gz WPAILHBBSMCLQY-QWHCGFSZSA-N 2 1 225.380 1.284 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554570 987957459 /nfs/dbraw/zinc/95/74/59/987957459.db2.gz WPAILHBBSMCLQY-QWHCGFSZSA-N 2 1 225.380 1.284 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246553444 987963271 /nfs/dbraw/zinc/96/32/71/987963271.db2.gz SFTVROFWFAIXRX-QWHCGFSZSA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246553444 987963281 /nfs/dbraw/zinc/96/32/81/987963281.db2.gz SFTVROFWFAIXRX-QWHCGFSZSA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246553444 987963286 /nfs/dbraw/zinc/96/32/86/987963286.db2.gz SFTVROFWFAIXRX-QWHCGFSZSA-N 2 1 225.380 1.284 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CCO1 ZINC001246555359 987971177 /nfs/dbraw/zinc/97/11/77/987971177.db2.gz DUEHSHMGSRWCKP-RFQIPJPRSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557839 987976110 /nfs/dbraw/zinc/97/61/10/987976110.db2.gz IWPARWSYGYTLTE-QJPTWQEYSA-N 2 1 214.353 1.205 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(C)nc1 ZINC001118020462 987989277 /nfs/dbraw/zinc/98/92/77/987989277.db2.gz WRQIYTROIAMFBW-SNVBAGLBSA-N 2 1 207.321 1.478 20 0 BDADMP CCc1ccc(C[C@H](C)[N@H+]2C[C@@H](N)[C@H](O)C2)cc1 ZINC001246560935 987990117 /nfs/dbraw/zinc/99/01/17/987990117.db2.gz VQIANGXMIAONTJ-NILFDRSVSA-N 2 1 248.370 1.184 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC[C@H]1C[NH3+] ZINC001246562446 988005042 /nfs/dbraw/zinc/00/50/42/988005042.db2.gz MWQYSBXKPAQZQO-JZAZDWQXSA-N 3 1 249.402 1.352 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563661 988005507 /nfs/dbraw/zinc/00/55/07/988005507.db2.gz LGOUDTCPOPQCIO-ZBBUEOHVSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563661 988005523 /nfs/dbraw/zinc/00/55/23/988005523.db2.gz LGOUDTCPOPQCIO-ZBBUEOHVSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1CC[N@H+](C2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001246562716 988006976 /nfs/dbraw/zinc/00/69/76/988006976.db2.gz WESDKQWPPKKEHV-STQMWFEESA-N 2 1 239.407 1.387 20 0 BDADMP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001246562716 988006994 /nfs/dbraw/zinc/00/69/94/988006994.db2.gz WESDKQWPPKKEHV-STQMWFEESA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001246562716 988007011 /nfs/dbraw/zinc/00/70/11/988007011.db2.gz WESDKQWPPKKEHV-STQMWFEESA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCOC2)CCC[C@H]1C[NH3+] ZINC001246563045 988008529 /nfs/dbraw/zinc/00/85/29/988008529.db2.gz CAPJDRAFAIYQAM-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)nn1C ZINC001118122262 988025352 /nfs/dbraw/zinc/02/53/52/988025352.db2.gz SGUIYHVGOHUGJN-KOLCDFICSA-N 2 1 224.352 1.235 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001246571852 988062699 /nfs/dbraw/zinc/06/26/99/988062699.db2.gz XJUCSLJADULJPP-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CO1 ZINC001246574436 988073906 /nfs/dbraw/zinc/07/39/06/988073906.db2.gz YBYVDZLCEDXVAI-GARJFASQSA-N 2 1 230.327 1.315 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CO1 ZINC001246574436 988073922 /nfs/dbraw/zinc/07/39/22/988073922.db2.gz YBYVDZLCEDXVAI-GARJFASQSA-N 2 1 230.327 1.315 20 0 BDADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578752 988088964 /nfs/dbraw/zinc/08/89/64/988088964.db2.gz BXMXIIGFXJPUJO-ZNMIVQPWSA-N 2 1 248.370 1.259 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCSC2)CC[C@H]1F ZINC001246578712 988102094 /nfs/dbraw/zinc/10/20/94/988102094.db2.gz BLRGKYWDIYLBDD-OPRDCNLKSA-N 2 1 218.341 1.253 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCSC2)CC[C@H]1F ZINC001246578712 988102099 /nfs/dbraw/zinc/10/20/99/988102099.db2.gz BLRGKYWDIYLBDD-OPRDCNLKSA-N 2 1 218.341 1.253 20 0 BDADMP C[C@@H]1CC(N2CCC(F)(F)[C@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246581458 988107769 /nfs/dbraw/zinc/10/77/69/988107769.db2.gz KTURAQMVQDHJFV-FXPVBKGRSA-N 2 1 247.333 1.184 20 0 BDADMP C[C@H]1CC[C@@H]([NH+]2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246581577 988110227 /nfs/dbraw/zinc/11/02/27/988110227.db2.gz RTIZGAVJSPUBTP-WCQYABFASA-N 3 1 225.380 1.188 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246582672 988121249 /nfs/dbraw/zinc/12/12/49/988121249.db2.gz SBMDWPVZQGNKIC-STQMWFEESA-N 3 1 227.396 1.435 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1F ZINC001246585405 988137620 /nfs/dbraw/zinc/13/76/20/988137620.db2.gz KFOWOKHXVVAYDQ-IYKVGLELSA-N 2 1 212.312 1.546 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1F ZINC001246585405 988137627 /nfs/dbraw/zinc/13/76/27/988137627.db2.gz KFOWOKHXVVAYDQ-IYKVGLELSA-N 2 1 212.312 1.546 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1F ZINC001246585406 988140490 /nfs/dbraw/zinc/14/04/90/988140490.db2.gz KFOWOKHXVVAYDQ-KZZRWZIVSA-N 2 1 212.312 1.546 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1F ZINC001246585406 988140502 /nfs/dbraw/zinc/14/05/02/988140502.db2.gz KFOWOKHXVVAYDQ-KZZRWZIVSA-N 2 1 212.312 1.546 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586564 988148208 /nfs/dbraw/zinc/14/82/08/988148208.db2.gz RGSBJDUSWQZTGG-ZDEQEGDKSA-N 2 1 240.391 1.453 20 0 BDADMP CC(C)CC(CC(C)C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246588954 988153793 /nfs/dbraw/zinc/15/37/93/988153793.db2.gz YBPCWYDHSMKMDY-GXTWGEPZSA-N 2 1 242.407 1.699 20 0 BDADMP CC[NH+]1CCC(N2CCC(F)(F)[C@@H]([NH3+])C2)CC1 ZINC001246588031 988159463 /nfs/dbraw/zinc/15/94/63/988159463.db2.gz BBCMVGRBAOQWHO-NSHDSACASA-N 2 1 247.333 1.139 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OC)cc1F ZINC001118294597 988193596 /nfs/dbraw/zinc/19/35/96/988193596.db2.gz DWBYYGHOTAKZHO-JTQLQIEISA-N 2 1 240.322 1.922 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246601351 988209898 /nfs/dbraw/zinc/20/98/98/988209898.db2.gz UWDVHYCHCMJLIU-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CO1 ZINC001246607611 988230739 /nfs/dbraw/zinc/23/07/39/988230739.db2.gz GTYDLKRBCWDGST-JSGCOSHPSA-N 2 1 238.375 1.772 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)CO1 ZINC001246607611 988230759 /nfs/dbraw/zinc/23/07/59/988230759.db2.gz GTYDLKRBCWDGST-JSGCOSHPSA-N 2 1 238.375 1.772 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246630261 988308998 /nfs/dbraw/zinc/30/89/98/988308998.db2.gz HZZBRRMGGWLIFX-SDDRHHMPSA-N 2 1 224.348 1.380 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246634550 988317445 /nfs/dbraw/zinc/31/74/45/988317445.db2.gz OFXWDOBFOFUELG-CLRIEMFWSA-N 3 1 237.391 1.295 20 0 BDADMP C[NH+](C)C1CCC(N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246634550 988317458 /nfs/dbraw/zinc/31/74/58/988317458.db2.gz OFXWDOBFOFUELG-CLRIEMFWSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1CC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001246641661 988349851 /nfs/dbraw/zinc/34/98/51/988349851.db2.gz WXRZBILFMHUNHE-FPQZTECRSA-N 2 1 224.348 1.379 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2C2CCSCC2)[NH2+]1 ZINC001246642021 988350651 /nfs/dbraw/zinc/35/06/51/988350651.db2.gz ZBDFCWLUHWYWCL-GHMZBOCLSA-N 2 1 212.362 1.318 20 0 BDADMP C1CO[C@@H]2C[N@H+](C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001246648423 988374156 /nfs/dbraw/zinc/37/41/56/988374156.db2.gz PQRBAFVRLFXJNK-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246651331 988377842 /nfs/dbraw/zinc/37/78/42/988377842.db2.gz CUDITRFFZDNZMP-ODXJTPSBSA-N 2 1 235.375 1.035 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246677224 988419905 /nfs/dbraw/zinc/41/99/05/988419905.db2.gz HBDADJAJJBAHOK-YPMHNXCESA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCc3cc(O)ccc3C2)CC[NH2+]1 ZINC001246694833 988444381 /nfs/dbraw/zinc/44/43/81/988444381.db2.gz XAWVEBRMVPRMEK-BXUZGUMPSA-N 2 1 246.354 1.891 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCc3cc(O)ccc3C2)CC[NH2+]1 ZINC001246694833 988444389 /nfs/dbraw/zinc/44/43/89/988444389.db2.gz XAWVEBRMVPRMEK-BXUZGUMPSA-N 2 1 246.354 1.891 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCNC[C@H]2C(C)C)CC1 ZINC001246696736 988445003 /nfs/dbraw/zinc/44/50/03/988445003.db2.gz PKAVMJPZSNDGMW-RUXDESIVSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246793778 988472148 /nfs/dbraw/zinc/47/21/48/988472148.db2.gz DMPHEEIGHIPEKT-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2cnccn2)CC[NH2+]1 ZINC001246798584 988480954 /nfs/dbraw/zinc/48/09/54/988480954.db2.gz VLZSUMCCWCXTLO-DYEKYZERSA-N 2 1 246.358 1.754 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cnccn2)CC[NH2+]1 ZINC001246798584 988480960 /nfs/dbraw/zinc/48/09/60/988480960.db2.gz VLZSUMCCWCXTLO-DYEKYZERSA-N 2 1 246.358 1.754 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246812330 988497241 /nfs/dbraw/zinc/49/72/41/988497241.db2.gz YUIFUENSWDECDY-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[nH]n1 ZINC001323331455 988498883 /nfs/dbraw/zinc/49/88/83/988498883.db2.gz PTFMSCPMMWSEKR-JSGCOSHPSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n[nH]1 ZINC001323331455 988498887 /nfs/dbraw/zinc/49/88/87/988498887.db2.gz PTFMSCPMMWSEKR-JSGCOSHPSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n[nH]1 ZINC001323331455 988498897 /nfs/dbraw/zinc/49/88/97/988498897.db2.gz PTFMSCPMMWSEKR-JSGCOSHPSA-N 2 1 248.374 1.634 20 0 BDADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@H]3CCC[C@@H]31)CCN2 ZINC001246822293 988511613 /nfs/dbraw/zinc/51/16/13/988511613.db2.gz YCTVJRIZIZXZEV-RDBSUJKOSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@@H]1C[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC[NH2+]1 ZINC001246832616 988528190 /nfs/dbraw/zinc/52/81/90/988528190.db2.gz MUHWBAZTHHPLPH-XJFOESAGSA-N 2 1 237.391 1.153 20 0 BDADMP CC(C)[C@@H]1COCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246835414 988531520 /nfs/dbraw/zinc/53/15/20/988531520.db2.gz JISSERXHTVMVBC-LBPRGKRZSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1C1CC[NH2+]CC1 ZINC001246835414 988531528 /nfs/dbraw/zinc/53/15/28/988531528.db2.gz JISSERXHTVMVBC-LBPRGKRZSA-N 2 1 212.337 1.095 20 0 BDADMP CCC(CC)[N@@H+](CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246841111 988547947 /nfs/dbraw/zinc/54/79/47/988547947.db2.gz SXPOFKFBPIDVPW-ZDUSSCGKSA-N 2 1 239.407 1.591 20 0 BDADMP CSCC[C@H](C)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246851390 988570402 /nfs/dbraw/zinc/57/04/02/988570402.db2.gz FQNISXQEQLKEJB-HBNTYKKESA-N 2 1 214.378 1.551 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)C[NH2+]1 ZINC001246856301 988578166 /nfs/dbraw/zinc/57/81/66/988578166.db2.gz WTPITQMZPIUOMU-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)CCCOC3)C[NH2+]1 ZINC001246856301 988578177 /nfs/dbraw/zinc/57/81/77/988578177.db2.gz WTPITQMZPIUOMU-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCOC3)CC[NH2+]1 ZINC001246855072 988579410 /nfs/dbraw/zinc/57/94/10/988579410.db2.gz SGLCLDWCIZICLW-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246859915 988584268 /nfs/dbraw/zinc/58/42/68/988584268.db2.gz MPAYCNIFCHUQNT-JABUTEAWSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246862091 988600703 /nfs/dbraw/zinc/60/07/03/988600703.db2.gz PWJAKPINCZCQMN-KWCYVHTRSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246862091 988600710 /nfs/dbraw/zinc/60/07/10/988600710.db2.gz PWJAKPINCZCQMN-KWCYVHTRSA-N 2 1 231.343 1.436 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246861360 988600889 /nfs/dbraw/zinc/60/08/89/988600889.db2.gz PBJFJRKBAUVNPF-QPSCCSFWSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246861360 988600901 /nfs/dbraw/zinc/60/09/01/988600901.db2.gz PBJFJRKBAUVNPF-QPSCCSFWSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246861360 988600914 /nfs/dbraw/zinc/60/09/14/988600914.db2.gz PBJFJRKBAUVNPF-QPSCCSFWSA-N 2 1 249.402 1.332 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246862643 988601473 /nfs/dbraw/zinc/60/14/73/988601473.db2.gz MFBNYPBUPLXRLU-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865046 988606610 /nfs/dbraw/zinc/60/66/10/988606610.db2.gz XPWNYDBFWNKCTD-URGYJCLVSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865046 988606643 /nfs/dbraw/zinc/60/66/43/988606643.db2.gz XPWNYDBFWNKCTD-URGYJCLVSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865046 988606669 /nfs/dbraw/zinc/60/66/69/988606669.db2.gz XPWNYDBFWNKCTD-URGYJCLVSA-N 2 1 249.402 1.332 20 0 BDADMP c1cnc2c(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246864975 988615902 /nfs/dbraw/zinc/61/59/02/988615902.db2.gz QYOGVVLXRPIMOJ-PBWFPOADSA-N 2 1 243.354 1.723 20 0 BDADMP c1cnc2c(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246864975 988615925 /nfs/dbraw/zinc/61/59/25/988615925.db2.gz QYOGVVLXRPIMOJ-PBWFPOADSA-N 2 1 243.354 1.723 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCc3ccccc3CC1)C2 ZINC001246866680 988617431 /nfs/dbraw/zinc/61/74/31/988617431.db2.gz GKAQEHOOFCVNAG-GDBMZVCRSA-N 2 1 242.366 1.967 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCc3ccccc3CC1)C2 ZINC001246866680 988617439 /nfs/dbraw/zinc/61/74/39/988617439.db2.gz GKAQEHOOFCVNAG-GDBMZVCRSA-N 2 1 242.366 1.967 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246869545 988625741 /nfs/dbraw/zinc/62/57/41/988625741.db2.gz MHRXFFMFNJXBKT-NHCYSSNCSA-N 2 1 228.405 1.940 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246869545 988625751 /nfs/dbraw/zinc/62/57/51/988625751.db2.gz MHRXFFMFNJXBKT-NHCYSSNCSA-N 2 1 228.405 1.940 20 0 BDADMP CC(C)OC1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246868686 988631238 /nfs/dbraw/zinc/63/12/38/988631238.db2.gz KGXLNDGLEULLCE-BLYZHGLHSA-N 2 1 238.375 1.756 20 0 BDADMP CC(C)OC1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246868686 988631253 /nfs/dbraw/zinc/63/12/53/988631253.db2.gz KGXLNDGLEULLCE-BLYZHGLHSA-N 2 1 238.375 1.756 20 0 BDADMP CC[C@H](CC(C)C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC001246870536 988633993 /nfs/dbraw/zinc/63/39/93/988633993.db2.gz LUUXWJCXLUMNRY-CQSZACIVSA-N 2 1 241.423 1.648 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001246875089 988644591 /nfs/dbraw/zinc/64/45/91/988644591.db2.gz XMRFLOFEABQONM-MJVIPROJSA-N 2 1 232.302 1.326 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001246875089 988644599 /nfs/dbraw/zinc/64/45/99/988644599.db2.gz XMRFLOFEABQONM-MJVIPROJSA-N 2 1 232.302 1.326 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC001246893634 988659654 /nfs/dbraw/zinc/65/96/54/988659654.db2.gz LKASUJNQBLESHX-RTXFEEFZSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC001246893634 988659660 /nfs/dbraw/zinc/65/96/60/988659660.db2.gz LKASUJNQBLESHX-RTXFEEFZSA-N 2 1 224.348 1.238 20 0 BDADMP CC[N@H+](CCNC)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246890717 988660340 /nfs/dbraw/zinc/66/03/40/988660340.db2.gz KVNGMMMKTXVKMY-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CCNC)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246890717 988660351 /nfs/dbraw/zinc/66/03/51/988660351.db2.gz KVNGMMMKTXVKMY-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[N@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246893212 988666092 /nfs/dbraw/zinc/66/60/92/988666092.db2.gz IPAVYXHHANQKQK-TZMCWYRMSA-N 3 1 239.407 1.591 20 0 BDADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246893212 988666095 /nfs/dbraw/zinc/66/60/95/988666095.db2.gz IPAVYXHHANQKQK-TZMCWYRMSA-N 3 1 239.407 1.591 20 0 BDADMP CCC1(N)C[NH+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246896702 988669192 /nfs/dbraw/zinc/66/91/92/988669192.db2.gz ZHZUNELCTJOATB-OLZOCXBDSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCc3ccc(N)cc3C2)CC[NH2+]1 ZINC001246905213 988684179 /nfs/dbraw/zinc/68/41/79/988684179.db2.gz MJJXOBFVMVQHFO-ABAIWWIYSA-N 2 1 245.370 1.767 20 0 BDADMP CC[N@@H+](CCC(=O)OC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246918553 988712791 /nfs/dbraw/zinc/71/27/91/988712791.db2.gz FGPQZOLLUVRGHH-WDEREUQCSA-N 2 1 228.336 1.012 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCCN(C)[C@H]3C2)CC[NH2+]1 ZINC001246919850 988723001 /nfs/dbraw/zinc/72/30/01/988723001.db2.gz SCVXOZATYXWRHW-SYQHCUMBSA-N 2 1 237.391 1.153 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)C1 ZINC001246919066 988724295 /nfs/dbraw/zinc/72/42/95/988724295.db2.gz MGQFVAJSHUKJJQ-SDDRHHMPSA-N 2 1 208.349 1.859 20 0 BDADMP C1[NH2+][C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924887 988749471 /nfs/dbraw/zinc/74/94/71/988749471.db2.gz NIOTZTBVIWTOSD-LQULJDIASA-N 3 1 249.402 1.202 20 0 BDADMP C1N[C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924887 988749488 /nfs/dbraw/zinc/74/94/88/988749488.db2.gz NIOTZTBVIWTOSD-LQULJDIASA-N 2 1 249.402 1.202 20 0 BDADMP C1N[C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924887 988749505 /nfs/dbraw/zinc/74/95/05/988749505.db2.gz NIOTZTBVIWTOSD-LQULJDIASA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+][C@H]2CN(C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924887 988749533 /nfs/dbraw/zinc/74/95/33/988749533.db2.gz NIOTZTBVIWTOSD-LQULJDIASA-N 2 1 249.402 1.202 20 0 BDADMP C1[C@@H]2C[C@@H]([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@H]12 ZINC001246933120 988761020 /nfs/dbraw/zinc/76/10/20/988761020.db2.gz PZGVYVQPDUSVSC-RVOPOGNISA-N 2 1 220.360 1.716 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246932036 988761911 /nfs/dbraw/zinc/76/19/11/988761911.db2.gz OUYJBRFVNGLPRX-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP CN1CCC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246933094 988764131 /nfs/dbraw/zinc/76/41/31/988764131.db2.gz PQBCXNBZCDPNKI-MJBXVCDLSA-N 2 1 237.391 1.012 20 0 BDADMP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246944275 988783462 /nfs/dbraw/zinc/78/34/62/988783462.db2.gz WNOHMGCSHRDNSK-HZSPNIEDSA-N 2 1 237.391 1.012 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246981901 988809427 /nfs/dbraw/zinc/80/94/27/988809427.db2.gz UFZAGCUPZDLLSM-FQUUOJAGSA-N 2 1 239.407 1.671 20 0 BDADMP CC[NH+]1C[C@@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C1 ZINC001246981479 988810225 /nfs/dbraw/zinc/81/02/25/988810225.db2.gz WYJYSUABUMRQQP-ARJVPZMDSA-N 2 1 249.402 1.153 20 0 BDADMP CCN1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C1 ZINC001246981479 988810228 /nfs/dbraw/zinc/81/02/28/988810228.db2.gz WYJYSUABUMRQQP-ARJVPZMDSA-N 2 1 249.402 1.153 20 0 BDADMP CC(C)[N@H+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980772 988811730 /nfs/dbraw/zinc/81/17/30/988811730.db2.gz SMYFBYCJTRUOMJ-RDBSUJKOSA-N 2 1 239.407 1.541 20 0 BDADMP CC[C@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988541 988818878 /nfs/dbraw/zinc/81/88/78/988818878.db2.gz JTERAECWRUBTIA-VXGBXAGGSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988541 988818879 /nfs/dbraw/zinc/81/88/79/988818879.db2.gz JTERAECWRUBTIA-VXGBXAGGSA-N 2 1 226.364 1.471 20 0 BDADMP C1=C2NCC[N@H+]([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@@H]2CCC1 ZINC001246997168 988829662 /nfs/dbraw/zinc/82/96/62/988829662.db2.gz QYIJUYKPRCKSBD-QVHKTLOISA-N 2 1 247.386 1.326 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC[C@H]3[NH3+])CC2)C[NH2+]1 ZINC001247000697 988831297 /nfs/dbraw/zinc/83/12/97/988831297.db2.gz HGVIPDZEVIHONZ-FRRDWIJNSA-N 3 1 237.391 1.330 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC001246998907 988831388 /nfs/dbraw/zinc/83/13/88/988831388.db2.gz HPIQXRZBQFQBQF-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC001246997926 988832699 /nfs/dbraw/zinc/83/26/99/988832699.db2.gz WDWGGQBVTRAPLR-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC[C@@H]3[NH3+])CC2)C[NH2+]1 ZINC001247000691 988832883 /nfs/dbraw/zinc/83/28/83/988832883.db2.gz HGVIPDZEVIHONZ-AGIUHOORSA-N 3 1 237.391 1.330 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997358 988833309 /nfs/dbraw/zinc/83/33/09/988833309.db2.gz UDPYIDZINOGPTG-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP C1C[NH2+][C@H]2CC[N@@H+](C3CCSCC3)C[C@H]2C1 ZINC001247013124 988834584 /nfs/dbraw/zinc/83/45/84/988834584.db2.gz FVZISJGXGHJQIP-YPMHNXCESA-N 2 1 240.416 1.956 20 0 BDADMP C1C[NH2+][C@H]2CC[N@H+](C3CCSCC3)C[C@H]2C1 ZINC001247013124 988834594 /nfs/dbraw/zinc/83/45/94/988834594.db2.gz FVZISJGXGHJQIP-YPMHNXCESA-N 2 1 240.416 1.956 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C[C@H]1C ZINC001247002726 988835169 /nfs/dbraw/zinc/83/51/69/988835169.db2.gz TYGWWTROAYGBCB-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001247004181 988836011 /nfs/dbraw/zinc/83/60/11/988836011.db2.gz PMECSPMAZLJLAE-JLLWLGSASA-N 2 1 210.321 1.180 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001247004181 988836014 /nfs/dbraw/zinc/83/60/14/988836014.db2.gz PMECSPMAZLJLAE-JLLWLGSASA-N 2 1 210.321 1.180 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247014494 988838967 /nfs/dbraw/zinc/83/89/67/988838967.db2.gz KLZINODFVZAPPW-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247014494 988838971 /nfs/dbraw/zinc/83/89/71/988838971.db2.gz KLZINODFVZAPPW-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP COC1(C[NH2+]CC2=CC[N@@H+](C)CC2)CCC1 ZINC001119242094 988859459 /nfs/dbraw/zinc/85/94/59/988859459.db2.gz RGZWHEQWEJIFKD-UHFFFAOYSA-N 2 1 224.348 1.407 20 0 BDADMP COC1(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC001119245511 988862290 /nfs/dbraw/zinc/86/22/90/988862290.db2.gz RABZUTNZOAHPDA-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cncc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247508345 988906686 /nfs/dbraw/zinc/90/66/86/988906686.db2.gz QRRFWBFBYQDNEW-JTQLQIEISA-N 2 1 247.302 1.179 20 0 BDADMP Cc1cccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247508118 988907543 /nfs/dbraw/zinc/90/75/43/988907543.db2.gz PCJYTNHQPYABBO-LLVKDONJSA-N 2 1 246.314 1.784 20 0 BDADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC001247696325 988994484 /nfs/dbraw/zinc/99/44/84/988994484.db2.gz VWYPEKPJEYKKDV-VIFPVBQESA-N 2 1 247.302 1.260 20 0 BDADMP CC[C@H](C[NH+]1CCCC1)Nc1cc[nH+]c(N)n1 ZINC001515471580 989053061 /nfs/dbraw/zinc/05/30/61/989053061.db2.gz XTVMXIBXRQTTJS-SNVBAGLBSA-N 2 1 235.335 1.345 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC001325744296 989247257 /nfs/dbraw/zinc/24/72/57/989247257.db2.gz UGVPDPYYQKUMKK-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1cc(N)nc(NCC[N@H+](C)C(C)C)n1 ZINC001119938748 989489435 /nfs/dbraw/zinc/48/94/35/989489435.db2.gz MHNXNGAMENMMIY-UHFFFAOYSA-N 2 1 223.324 1.119 20 0 BDADMP Cc1cc(N)nc(NCC[N@@H+](C)C(C)C)[nH+]1 ZINC001119938748 989489449 /nfs/dbraw/zinc/48/94/49/989489449.db2.gz MHNXNGAMENMMIY-UHFFFAOYSA-N 2 1 223.324 1.119 20 0 BDADMP Cc1cc(N)nc(NCC[N@H+](C)C(C)C)[nH+]1 ZINC001119938748 989489460 /nfs/dbraw/zinc/48/94/60/989489460.db2.gz MHNXNGAMENMMIY-UHFFFAOYSA-N 2 1 223.324 1.119 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2cccnc21 ZINC001326474459 989574378 /nfs/dbraw/zinc/57/43/78/989574378.db2.gz XSEDXRUQTPZIJE-AAEUAGOBSA-N 2 1 233.359 1.904 20 0 BDADMP CSC[C@H](O)C[NH2+]CCC[N@@H+](C)C(C)C ZINC001120569604 989736208 /nfs/dbraw/zinc/73/62/08/989736208.db2.gz CLOPQHXICCZRKW-LLVKDONJSA-N 2 1 234.409 1.030 20 0 BDADMP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc[nH+]c(N)n1 ZINC001120816626 989901040 /nfs/dbraw/zinc/90/10/40/989901040.db2.gz ALUYBXGLTLQTIX-LLVKDONJSA-N 2 1 249.362 1.369 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc[nH+]c(N)n1 ZINC001120816626 989901048 /nfs/dbraw/zinc/90/10/48/989901048.db2.gz ALUYBXGLTLQTIX-LLVKDONJSA-N 2 1 249.362 1.369 20 0 BDADMP CC[N@H+]1CCC[C@H](CNc2cc[nH+]cc2)C1 ZINC001120864834 989935242 /nfs/dbraw/zinc/93/52/42/989935242.db2.gz PFLJGEWOVVTPRL-GFCCVEGCSA-N 2 1 219.332 1.647 20 0 BDADMP CC1(C[NH3+])CN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001206723254 990875594 /nfs/dbraw/zinc/87/55/94/990875594.db2.gz NEMXJGCHXHIQDM-UHFFFAOYSA-N 2 1 230.315 1.344 20 0 BDADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H](C)CCC=C(C)C ZINC001258076955 990973492 /nfs/dbraw/zinc/97/34/92/990973492.db2.gz UHNWQVOAEVYCJM-NWDGAFQWSA-N 2 1 242.363 1.459 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001258103524 991018592 /nfs/dbraw/zinc/01/85/92/991018592.db2.gz ARGJMTDWMYAPEF-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001258103524 991018601 /nfs/dbraw/zinc/01/86/01/991018601.db2.gz ARGJMTDWMYAPEF-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP CSCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001258211187 991126574 /nfs/dbraw/zinc/12/65/74/991126574.db2.gz GVAPSEIOSWSCRS-LLVKDONJSA-N 2 1 234.409 1.032 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)C(F)F ZINC001308791289 991134968 /nfs/dbraw/zinc/13/49/68/991134968.db2.gz HKRBYDBWXQGCTB-NXEZZACHSA-N 2 1 236.306 1.075 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@H+](CCN)CCO ZINC001258314309 991239518 /nfs/dbraw/zinc/23/95/18/991239518.db2.gz CLTZPONVYVSOKV-SNVBAGLBSA-N 2 1 234.409 1.160 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@@H+](CCN)CCO ZINC001258314309 991239527 /nfs/dbraw/zinc/23/95/27/991239527.db2.gz CLTZPONVYVSOKV-SNVBAGLBSA-N 2 1 234.409 1.160 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)[C@H]1CCCO1 ZINC001308984901 991250581 /nfs/dbraw/zinc/25/05/81/991250581.db2.gz QFHXKHLBJGQZKT-MEBFFEOJSA-N 2 1 238.375 1.484 20 0 BDADMP CCCCC[C@H](CC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001258432308 991365988 /nfs/dbraw/zinc/36/59/88/991365988.db2.gz OQLJIFCFLCKGKA-NEPJUHHUSA-N 2 1 244.379 1.683 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCSCC3)[C@H]2C1 ZINC001560623516 991527710 /nfs/dbraw/zinc/52/77/10/991527710.db2.gz ZPRGEOYSTALLFM-WCFLWFBJSA-N 2 1 240.416 1.812 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1cccnc1 ZINC001258615198 991542203 /nfs/dbraw/zinc/54/22/03/991542203.db2.gz FCVAAWNYXHIBAB-VXGBXAGGSA-N 2 1 221.348 1.539 20 0 BDADMP C[C@H](Cc1cccnc1)n1cc[nH+]c1CCC[NH3+] ZINC001258620501 991551836 /nfs/dbraw/zinc/55/18/36/991551836.db2.gz MQYVOMNWXSNBCZ-GFCCVEGCSA-N 2 1 244.342 1.973 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258630265 991571035 /nfs/dbraw/zinc/57/10/35/991571035.db2.gz QEWDFCUCHUOPLW-YUELXQCFSA-N 2 1 245.370 1.506 20 0 BDADMP C[C@H](Cc1cccnc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258630265 991571044 /nfs/dbraw/zinc/57/10/44/991571044.db2.gz QEWDFCUCHUOPLW-YUELXQCFSA-N 2 1 245.370 1.506 20 0 BDADMP C[C@H](Cc1cccnc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258630265 991571053 /nfs/dbraw/zinc/57/10/53/991571053.db2.gz QEWDFCUCHUOPLW-YUELXQCFSA-N 2 1 245.370 1.506 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C)n[nH]2)C1 ZINC001318629608 991689952 /nfs/dbraw/zinc/68/99/52/991689952.db2.gz FZWCRNRAOFVGMO-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)n[nH]2)C1 ZINC001318629608 991689972 /nfs/dbraw/zinc/68/99/72/991689972.db2.gz FZWCRNRAOFVGMO-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001258771642 991741372 /nfs/dbraw/zinc/74/13/72/991741372.db2.gz MPAMGCFTAGGTIE-QWHCGFSZSA-N 2 1 244.354 1.266 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001258771642 991741363 /nfs/dbraw/zinc/74/13/63/991741363.db2.gz MPAMGCFTAGGTIE-QWHCGFSZSA-N 2 1 244.354 1.266 20 0 BDADMP CCC[NH+]1CCC(N(CC)C2C[NH+](C)C2)CC1 ZINC001258776904 991743367 /nfs/dbraw/zinc/74/33/67/991743367.db2.gz IOZYYAQEUQZENS-UHFFFAOYSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC001319189387 991812632 /nfs/dbraw/zinc/81/26/32/991812632.db2.gz FSHVKRIEVBXEJN-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)[C@H]1CCOC1 ZINC001319394424 991857340 /nfs/dbraw/zinc/85/73/40/991857340.db2.gz PJLALAGFRSMCRJ-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001258879180 991887178 /nfs/dbraw/zinc/88/71/78/991887178.db2.gz CNKAHEDFXPSOHA-LLVKDONJSA-N 2 1 236.359 1.953 20 0 BDADMP CC(C)(C[NH2+][C@@H]1CCC[NH2+]C1)C1(O)CCCC1 ZINC001573481767 992615745 /nfs/dbraw/zinc/61/57/45/992615745.db2.gz DKZRNIPHZXMHMA-GFCCVEGCSA-N 2 1 240.391 1.659 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001262043340 992628747 /nfs/dbraw/zinc/62/87/47/992628747.db2.gz PCCWTQCUCTWRHL-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001573735680 992689966 /nfs/dbraw/zinc/68/99/66/992689966.db2.gz QHPNITJYDRXKQC-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP COc1cncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC001574052069 992802664 /nfs/dbraw/zinc/80/26/64/992802664.db2.gz FZXIQSICAMMZAU-GFCCVEGCSA-N 2 1 249.358 1.569 20 0 BDADMP COc1cncc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC001574052069 992802665 /nfs/dbraw/zinc/80/26/65/992802665.db2.gz FZXIQSICAMMZAU-GFCCVEGCSA-N 2 1 249.358 1.569 20 0 BDADMP CC(C)(C)[N@@H+](CCCCCCC[NH3+])CC(N)=O ZINC001575142092 992996595 /nfs/dbraw/zinc/99/65/95/992996595.db2.gz VVROPXPVCKACRU-UHFFFAOYSA-N 2 1 243.395 1.481 20 0 BDADMP CC(C)(C[NH3+])C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001575314895 993007313 /nfs/dbraw/zinc/00/73/13/993007313.db2.gz BPRCSBBXUZERAQ-BDAKNGLRSA-N 2 1 218.291 1.558 20 0 BDADMP CC[N@@H+](CCNc1nccn2cncc12)C1CC1 ZINC001262682431 993020660 /nfs/dbraw/zinc/02/06/60/993020660.db2.gz YIQOUGYOWACXNE-UHFFFAOYSA-N 2 1 245.330 1.626 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001575422891 993042701 /nfs/dbraw/zinc/04/27/01/993042701.db2.gz NYCCTZYBZVSNHR-MELADBBJSA-N 2 1 240.391 1.312 20 0 BDADMP CC(C)[C@H](CO)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575436501 993043380 /nfs/dbraw/zinc/04/33/80/993043380.db2.gz ZPVOZHWIRHHZMT-DTWKUNHWSA-N 2 1 242.285 1.120 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc2nccn21 ZINC001575459866 993046584 /nfs/dbraw/zinc/04/65/84/993046584.db2.gz CTPSVAHEEXJECV-LBPRGKRZSA-N 2 1 232.331 1.407 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575548883 993070343 /nfs/dbraw/zinc/07/03/43/993070343.db2.gz CIMFNGZRUPGAAA-RKDXNWHRSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575618908 993086856 /nfs/dbraw/zinc/08/68/56/993086856.db2.gz PMYIAYGUVHTUBZ-BDAKNGLRSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC001575689187 993096674 /nfs/dbraw/zinc/09/66/74/993096674.db2.gz MHGFGOYLPNNCHK-ZDUSSCGKSA-N 2 1 249.402 1.964 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC001575689187 993096675 /nfs/dbraw/zinc/09/66/75/993096675.db2.gz MHGFGOYLPNNCHK-ZDUSSCGKSA-N 2 1 249.402 1.964 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001575910176 993123301 /nfs/dbraw/zinc/12/33/01/993123301.db2.gz VWZGOKLWGUXVBI-AOOOYVTPSA-N 2 1 208.309 1.043 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC001575967773 993143755 /nfs/dbraw/zinc/14/37/55/993143755.db2.gz QTRNYSNPKRBKBB-GHMZBOCLSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Cn1ccnc1 ZINC001576032530 993162297 /nfs/dbraw/zinc/16/22/97/993162297.db2.gz GPTNRERZTUNFGT-NXEZZACHSA-N 2 1 246.305 1.091 20 0 BDADMP C[C@@H](CNC[C@H]([NH3+])CC(F)F)[N@@H+](C)C1CC1 ZINC001576032346 993162404 /nfs/dbraw/zinc/16/24/04/993162404.db2.gz CHZQFMOGLKKPPG-DTWKUNHWSA-N 2 1 235.322 1.041 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000585382618 993262167 /nfs/dbraw/zinc/26/21/67/993262167.db2.gz QYOOJCSSMPLVDM-RYUDHWBXSA-N 2 1 217.316 1.388 20 0 BDADMP CC1(C)C[C@@](C)([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C(=O)O1 ZINC001576388998 993289193 /nfs/dbraw/zinc/28/91/93/993289193.db2.gz DGPQZQBELMFVCK-OPQQBVKSSA-N 2 1 240.347 1.188 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)CC(C)C ZINC000379993862 993301215 /nfs/dbraw/zinc/30/12/15/993301215.db2.gz YZZOOZGDHQOROA-GFCCVEGCSA-N 2 1 216.369 1.277 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000380684777 993341430 /nfs/dbraw/zinc/34/14/30/993341430.db2.gz HFWVMXWZQLDURQ-VXGBXAGGSA-N 2 1 228.380 1.454 20 0 BDADMP CC1(c2ccccc2)C[NH+](CC2(C[NH3+])CC2)C1 ZINC001576562898 993345539 /nfs/dbraw/zinc/34/55/39/993345539.db2.gz MRYCDGPPRLXGCI-UHFFFAOYSA-N 2 1 230.355 1.999 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCO1 ZINC001576598206 993364669 /nfs/dbraw/zinc/36/46/69/993364669.db2.gz MQTIPJUNQRBBRM-RQJABVFESA-N 2 1 238.375 1.343 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CC[N@@H+]1C ZINC001576623968 993373950 /nfs/dbraw/zinc/37/39/50/993373950.db2.gz NJUHNTBQPKXTSA-SGGXFHKZSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CC[N@H+]1C ZINC001576623968 993373954 /nfs/dbraw/zinc/37/39/54/993373954.db2.gz NJUHNTBQPKXTSA-SGGXFHKZSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1CCC(=O)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC001576635541 993377690 /nfs/dbraw/zinc/37/76/90/993377690.db2.gz BCUVJFYFYOADDI-WDEREUQCSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H]1CCC(=O)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC001576635541 993377698 /nfs/dbraw/zinc/37/76/98/993377698.db2.gz BCUVJFYFYOADDI-WDEREUQCSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1CC2(CC([NH2+][C@@H]3C[NH2+]C[C@H]3C)C2)CO1 ZINC001576637368 993378824 /nfs/dbraw/zinc/37/88/24/993378824.db2.gz RHNMULJYUDXSPZ-BFCCFQBASA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]1CCC(=O)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001576637060 993380254 /nfs/dbraw/zinc/38/02/54/993380254.db2.gz OZWFAFVPQRQHDW-NSHDSACASA-N 2 1 224.348 1.430 20 0 BDADMP C[C@H]1CCC(=O)C[N@H+]1CCC1CC[NH2+]CC1 ZINC001576637060 993380257 /nfs/dbraw/zinc/38/02/57/993380257.db2.gz OZWFAFVPQRQHDW-NSHDSACASA-N 2 1 224.348 1.430 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000381243529 993383745 /nfs/dbraw/zinc/38/37/45/993383745.db2.gz MPQBUQRLVBTQPD-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]12CCOC2 ZINC000381506773 993402216 /nfs/dbraw/zinc/40/22/16/993402216.db2.gz FFHZWNPUHNWXIG-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCC[NH2+]C1CC1 ZINC001576730988 993408357 /nfs/dbraw/zinc/40/83/57/993408357.db2.gz BPRBWXUQKRSAAB-YRGRVCCFSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C[C@H]1C[NH3+] ZINC001576731686 993410595 /nfs/dbraw/zinc/41/05/95/993410595.db2.gz MVSLRVJEHNTKJU-UTUOFQBUSA-N 2 1 242.363 1.055 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC001576729536 993410977 /nfs/dbraw/zinc/41/09/77/993410977.db2.gz QEDCICAIHADYSM-JWURUJNWSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCOC(F)(F)F)CC1 ZINC000381742498 993415515 /nfs/dbraw/zinc/41/55/15/993415515.db2.gz PFGYZBOTQXBJRV-VIFPVBQESA-N 2 1 240.269 1.597 20 0 BDADMP COC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000381802510 993426759 /nfs/dbraw/zinc/42/67/59/993426759.db2.gz DROJZPLHJHWKEQ-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001576849663 993431421 /nfs/dbraw/zinc/43/14/21/993431421.db2.gz HQQGPUUYMUUGFT-HTXLXMOSSA-N 2 1 208.349 1.619 20 0 BDADMP C[C@H](C[NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382028572 993437515 /nfs/dbraw/zinc/43/75/15/993437515.db2.gz CCTUAMCFVLGZFV-HIFRSBDPSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000382028572 993437517 /nfs/dbraw/zinc/43/75/17/993437517.db2.gz CCTUAMCFVLGZFV-HIFRSBDPSA-N 2 1 247.386 1.445 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n(C)n1 ZINC000382009286 993437871 /nfs/dbraw/zinc/43/78/71/993437871.db2.gz LVIZCUABTZUOJA-LLVKDONJSA-N 2 1 222.336 1.042 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n(C)n1 ZINC000382009286 993437877 /nfs/dbraw/zinc/43/78/77/993437877.db2.gz LVIZCUABTZUOJA-LLVKDONJSA-N 2 1 222.336 1.042 20 0 BDADMP C[C@H]1Cc2n[nH]cc2C[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001576861800 993439254 /nfs/dbraw/zinc/43/92/54/993439254.db2.gz HYAZJZCTQNDBIM-RYUDHWBXSA-N 2 1 248.374 1.404 20 0 BDADMP C[C@@H]1OCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@H]1C ZINC001576903136 993450328 /nfs/dbraw/zinc/45/03/28/993450328.db2.gz GWLLUBLTZDSTMF-FIQHERPVSA-N 2 1 212.337 1.223 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576963349 993470440 /nfs/dbraw/zinc/47/04/40/993470440.db2.gz YDMFMXHENHKABQ-YVECIDJPSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576963349 993470445 /nfs/dbraw/zinc/47/04/45/993470445.db2.gz YDMFMXHENHKABQ-YVECIDJPSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC001576967715 993472610 /nfs/dbraw/zinc/47/26/10/993472610.db2.gz WHLAJIBDDNPSRV-IRCOFANPSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC001576967715 993472613 /nfs/dbraw/zinc/47/26/13/993472613.db2.gz WHLAJIBDDNPSRV-IRCOFANPSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@@H](C)C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(=O)OC ZINC001576984253 993480648 /nfs/dbraw/zinc/48/06/48/993480648.db2.gz IPRWAKBJRXESNG-WYUUTHIRSA-N 2 1 242.363 1.291 20 0 BDADMP CC[C@@H](C)C[NH2+]CCCCC[NH+]1CCNCC1 ZINC001576992825 993481810 /nfs/dbraw/zinc/48/18/10/993481810.db2.gz PCULJMPPNLKUPB-CQSZACIVSA-N 2 1 241.423 1.698 20 0 BDADMP CC[C@@H](C)C[C@@H]([NH2+]C1CC(C[NH3+])C1)C(=O)OC ZINC001576985405 993482270 /nfs/dbraw/zinc/48/22/70/993482270.db2.gz VPHFFQZPUVKXIX-HBIQZDMRSA-N 2 1 242.363 1.291 20 0 BDADMP CC[C@H](C)[N@@H+](CCO)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996423 993482510 /nfs/dbraw/zinc/48/25/10/993482510.db2.gz RDJYWSREIZGNCU-SDDRHHMPSA-N 2 1 214.353 1.207 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cncc(F)c2)C1 ZINC000383567590 993501286 /nfs/dbraw/zinc/50/12/86/993501286.db2.gz BKEPBYNUNFTUJJ-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000383567590 993501302 /nfs/dbraw/zinc/50/13/02/993501302.db2.gz BKEPBYNUNFTUJJ-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC000384000678 993535541 /nfs/dbraw/zinc/53/55/41/993535541.db2.gz OLLAPCJVVJXYOE-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)nc1 ZINC000384016294 993535650 /nfs/dbraw/zinc/53/56/50/993535650.db2.gz QLTYXWNTTDVMPI-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP CC[C@@]1(C)CCC[N@@H+](C[C@]2(O)CC[NH2+]C2)C1 ZINC001577205655 993547729 /nfs/dbraw/zinc/54/77/29/993547729.db2.gz VVTYUEMRNDHTJA-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577220932 993551394 /nfs/dbraw/zinc/55/13/94/993551394.db2.gz PFICNYVZDNGIDM-YNEHKIRRSA-N 2 1 226.364 1.351 20 0 BDADMP CCC[C@@]1(COC)CCC[N@H+]1CCC[NH2+]C ZINC001577374600 993635249 /nfs/dbraw/zinc/63/52/49/993635249.db2.gz ANDQLUIHNQKNOE-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001577400578 993641762 /nfs/dbraw/zinc/64/17/62/993641762.db2.gz ALPBREDMDNLHJO-TUAOUCFPSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001577400578 993641765 /nfs/dbraw/zinc/64/17/65/993641765.db2.gz ALPBREDMDNLHJO-TUAOUCFPSA-N 2 1 241.379 1.055 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CCC(O)CC3)C[C@H]21 ZINC000385119470 993650932 /nfs/dbraw/zinc/65/09/32/993650932.db2.gz JYMJFQCRTDRISG-TWASESMYSA-N 2 1 238.375 1.029 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CCC(O)CC3)C[C@H]21 ZINC000385119470 993650936 /nfs/dbraw/zinc/65/09/36/993650936.db2.gz JYMJFQCRTDRISG-TWASESMYSA-N 2 1 238.375 1.029 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCC[NH+]1CCCC1 ZINC000385198502 993651863 /nfs/dbraw/zinc/65/18/63/993651863.db2.gz AXFHWJDFIJDAFE-UHFFFAOYSA-N 3 1 213.369 1.143 20 0 BDADMP C[N@H+](CCCC[NH3+])CCCN1CCCC1 ZINC000385198502 993651869 /nfs/dbraw/zinc/65/18/69/993651869.db2.gz AXFHWJDFIJDAFE-UHFFFAOYSA-N 2 1 213.369 1.143 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCCN1CCCC1 ZINC000385198502 993651873 /nfs/dbraw/zinc/65/18/73/993651873.db2.gz AXFHWJDFIJDAFE-UHFFFAOYSA-N 2 1 213.369 1.143 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577447493 993663168 /nfs/dbraw/zinc/66/31/68/993663168.db2.gz HGVYGRULECMRQY-AHPWVWPOSA-N 3 1 239.407 1.576 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577447493 993663179 /nfs/dbraw/zinc/66/31/79/993663179.db2.gz HGVYGRULECMRQY-AHPWVWPOSA-N 3 1 239.407 1.576 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC1([NH3+])CC1 ZINC001577445335 993664797 /nfs/dbraw/zinc/66/47/97/993664797.db2.gz NJBRCYGGUGILAQ-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[N@H+](CCO)C[C@H]([NH3+])CC(F)(F)F ZINC001577454783 993667860 /nfs/dbraw/zinc/66/78/60/993667860.db2.gz OXKAQRZUFLDCEF-SECBINFHSA-N 2 1 242.285 1.361 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](CC)[NH2+]C ZINC001577510174 993676466 /nfs/dbraw/zinc/67/64/66/993676466.db2.gz DULJRNRMPFNWCF-RYUDHWBXSA-N 2 1 243.395 1.221 20 0 BDADMP CCC[N@@H+](CCC1C[NH2+]C1)CCN(CC)CC ZINC001577519032 993678014 /nfs/dbraw/zinc/67/80/14/993678014.db2.gz FIPLUHJYYZKECC-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP CCCN(CCC1C[NH2+]C1)CC[NH+](CC)CC ZINC001577519032 993678027 /nfs/dbraw/zinc/67/80/27/993678027.db2.gz FIPLUHJYYZKECC-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP CCCn1cncc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001577625013 993699178 /nfs/dbraw/zinc/69/91/78/993699178.db2.gz VYRFTTZXXZBGIX-OLZOCXBDSA-N 2 1 248.374 1.334 20 0 BDADMP CCCn1cncc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001577625013 993699187 /nfs/dbraw/zinc/69/91/87/993699187.db2.gz VYRFTTZXXZBGIX-OLZOCXBDSA-N 2 1 248.374 1.334 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CCC[NH+](C)CC2)C1 ZINC000389315887 993743834 /nfs/dbraw/zinc/74/38/34/993743834.db2.gz GPGNUTHYGYRUCU-KBPBESRZSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CC[C@H](N[C@H]2CCC[N@H+](C)CC2)C1 ZINC000389315887 993743842 /nfs/dbraw/zinc/74/38/42/993743842.db2.gz GPGNUTHYGYRUCU-KBPBESRZSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](C)CC2)C1 ZINC000389315887 993743851 /nfs/dbraw/zinc/74/38/51/993743851.db2.gz GPGNUTHYGYRUCU-KBPBESRZSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)N1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC000389315887 993743860 /nfs/dbraw/zinc/74/38/60/993743860.db2.gz GPGNUTHYGYRUCU-KBPBESRZSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)N1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC000389315887 993743870 /nfs/dbraw/zinc/74/38/70/993743870.db2.gz GPGNUTHYGYRUCU-KBPBESRZSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC([NH2+]CCOCc2ccccc2)CC1 ZINC000390697629 993803415 /nfs/dbraw/zinc/80/34/15/993803415.db2.gz AVXYQMQXRIENFW-UHFFFAOYSA-N 2 1 248.370 1.887 20 0 BDADMP CCn1cncc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392275534 993848977 /nfs/dbraw/zinc/84/89/77/993848977.db2.gz ZQFAGVPVXRVDEB-UHFFFAOYSA-N 2 1 234.347 1.255 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH3+] ZINC000724414092 994064467 /nfs/dbraw/zinc/06/44/67/994064467.db2.gz JXABGDJTPCDKSJ-PRULPYPASA-N 2 1 226.364 1.469 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)[nH]1 ZINC000724778260 994075309 /nfs/dbraw/zinc/07/53/09/994075309.db2.gz FGYSBIVJLQEAGU-GZMMTYOYSA-N 2 1 222.336 1.053 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001332816928 994368973 /nfs/dbraw/zinc/36/89/73/994368973.db2.gz ZOWWKRHDPZUFFI-OLZOCXBDSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001306695842 995251604 /nfs/dbraw/zinc/25/16/04/995251604.db2.gz JXDBNJKBFXZFLV-DGCLKSJQSA-N 2 1 247.342 1.399 20 0 BDADMP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(C)[nH+]1 ZINC001306695842 995251608 /nfs/dbraw/zinc/25/16/08/995251608.db2.gz JXDBNJKBFXZFLV-DGCLKSJQSA-N 2 1 247.342 1.399 20 0 BDADMP C[C@H]([C@H](C)O)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC001307609223 995415397 /nfs/dbraw/zinc/41/53/97/995415397.db2.gz MRFFDGKJKIDSMV-NEPJUHHUSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CC[C@@H]2CN(CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001307784838 995460678 /nfs/dbraw/zinc/46/06/78/995460678.db2.gz IMXYALLJCWNCDU-MCIONIFRSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001307784838 995460680 /nfs/dbraw/zinc/46/06/80/995460680.db2.gz IMXYALLJCWNCDU-MCIONIFRSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001307784838 995460683 /nfs/dbraw/zinc/46/06/83/995460683.db2.gz IMXYALLJCWNCDU-MCIONIFRSA-N 2 1 237.391 1.107 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040231 995527038 /nfs/dbraw/zinc/52/70/38/995527038.db2.gz KLOLVBQWNACVRO-UPJWGTAASA-N 2 1 249.358 1.361 20 0 BDADMP C[N@@H+](CCn1ccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000336686078 187320958 /nfs/dbraw/zinc/32/09/58/187320958.db2.gz FUYGIIGYEJRWOE-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP C[NH+](CCn1ccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336686078 187320959 /nfs/dbraw/zinc/32/09/59/187320959.db2.gz FUYGIIGYEJRWOE-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP C[NH+](CCn1ccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336686078 187320961 /nfs/dbraw/zinc/32/09/61/187320961.db2.gz FUYGIIGYEJRWOE-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP CCC(CC)(CC)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357957508 168313630 /nfs/dbraw/zinc/31/36/30/168313630.db2.gz IGQFQWKXQYHFPN-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP CCC(CC)(CC)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357957508 168313633 /nfs/dbraw/zinc/31/36/33/168313633.db2.gz IGQFQWKXQYHFPN-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000257658365 349470393 /nfs/dbraw/zinc/47/03/93/349470393.db2.gz RSFLPMGJTNTHNM-GHMZBOCLSA-N 2 1 220.320 1.633 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422939380 398158723 /nfs/dbraw/zinc/15/87/23/398158723.db2.gz RGNBDCUZVZNROR-OPRDCNLKSA-N 2 1 202.367 1.326 20 0 BDADMP CC(C)[C@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000336762205 187322971 /nfs/dbraw/zinc/32/29/71/187322971.db2.gz NXWSYUHWDHIVPG-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H](CCO)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000649869707 398155124 /nfs/dbraw/zinc/15/51/24/398155124.db2.gz KJFLMZISFSGHIS-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](CCO)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000649869707 398155128 /nfs/dbraw/zinc/15/51/28/398155128.db2.gz KJFLMZISFSGHIS-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](CCO)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000649869707 398155132 /nfs/dbraw/zinc/15/51/32/398155132.db2.gz KJFLMZISFSGHIS-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCOCC3)CC[N@H+]2C1 ZINC000157464724 136213828 /nfs/dbraw/zinc/21/38/28/136213828.db2.gz KVJXTTURKVJTNR-MGPQQGTHSA-N 2 1 238.375 1.772 20 0 BDADMP OCC1([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415088036 398157262 /nfs/dbraw/zinc/15/72/62/398157262.db2.gz LMNWWESHGPHRNB-ZIAGYGMSSA-N 2 1 246.354 1.594 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cnn(C)c1 ZINC000044532718 398178391 /nfs/dbraw/zinc/17/83/91/398178391.db2.gz HXUBFJVZKLIKJE-NWDGAFQWSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000044532718 398178394 /nfs/dbraw/zinc/17/83/94/398178394.db2.gz HXUBFJVZKLIKJE-NWDGAFQWSA-N 2 1 236.363 1.413 20 0 BDADMP CC(C)C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000380055515 398182116 /nfs/dbraw/zinc/18/21/16/398182116.db2.gz YEBGHNRLMBDBRU-LBPRGKRZSA-N 2 1 216.369 1.275 20 0 BDADMP CC(C)C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000380055515 398182119 /nfs/dbraw/zinc/18/21/19/398182119.db2.gz YEBGHNRLMBDBRU-LBPRGKRZSA-N 2 1 216.369 1.275 20 0 BDADMP CC(C)C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000380055515 398182122 /nfs/dbraw/zinc/18/21/22/398182122.db2.gz YEBGHNRLMBDBRU-LBPRGKRZSA-N 2 1 216.369 1.275 20 0 BDADMP Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)nc(C)[nH+]1 ZINC000228085045 178122814 /nfs/dbraw/zinc/12/28/14/178122814.db2.gz PRRWMTOLUUNLIH-KOLCDFICSA-N 2 1 220.320 1.267 20 0 BDADMP COCC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164693228 398202990 /nfs/dbraw/zinc/20/29/90/398202990.db2.gz JIFBDKNHFKXVIN-GFCCVEGCSA-N 2 1 239.363 1.986 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C ZINC000380980431 398216530 /nfs/dbraw/zinc/21/65/30/398216530.db2.gz CHGXLPNFZFJTGS-CHWSQXEVSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000380980431 398216535 /nfs/dbraw/zinc/21/65/35/398216535.db2.gz CHGXLPNFZFJTGS-CHWSQXEVSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1C ZINC000380980431 398216540 /nfs/dbraw/zinc/21/65/40/398216540.db2.gz CHGXLPNFZFJTGS-CHWSQXEVSA-N 2 1 228.380 1.562 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000386750725 398219086 /nfs/dbraw/zinc/21/90/86/398219086.db2.gz GLZVNXHCCAOQHT-STQMWFEESA-N 2 1 236.363 1.169 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000649414033 398212227 /nfs/dbraw/zinc/21/22/27/398212227.db2.gz CEIGYEYQSDQGFC-ZDUSSCGKSA-N 2 1 236.363 1.475 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000649414033 398212229 /nfs/dbraw/zinc/21/22/29/398212229.db2.gz CEIGYEYQSDQGFC-ZDUSSCGKSA-N 2 1 236.363 1.475 20 0 BDADMP Cc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000050163685 178179288 /nfs/dbraw/zinc/17/92/88/178179288.db2.gz FGRIOCNSTJADHP-CMPLNLGQSA-N 2 1 234.347 1.893 20 0 BDADMP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430762604 398231196 /nfs/dbraw/zinc/23/11/96/398231196.db2.gz OPKPKMPFNRUYFU-QJPTWQEYSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000167102265 538940172 /nfs/dbraw/zinc/94/01/72/538940172.db2.gz WVAISFWRELLGNY-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)OCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000576718287 365668835 /nfs/dbraw/zinc/66/88/35/365668835.db2.gz ZVZFTQCMEIFOCI-UHFFFAOYSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000576718287 365668841 /nfs/dbraw/zinc/66/88/41/365668841.db2.gz ZVZFTQCMEIFOCI-UHFFFAOYSA-N 2 1 226.364 1.615 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000036300544 398260803 /nfs/dbraw/zinc/26/08/03/398260803.db2.gz HPCPRDNRFWPCFQ-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000381609176 398266888 /nfs/dbraw/zinc/26/68/88/398266888.db2.gz RJZKPHYSXXMWKF-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCC2)[C@H](C)C1 ZINC000162221742 349593942 /nfs/dbraw/zinc/59/39/42/349593942.db2.gz FXFPQRNEHWDHOD-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ncc[nH]1 ZINC000067672098 342713051 /nfs/dbraw/zinc/71/30/51/342713051.db2.gz GNQHDPYLMGKUBA-UHFFFAOYSA-N 2 1 219.292 1.095 20 0 BDADMP c1csc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031993291 342796067 /nfs/dbraw/zinc/79/60/67/342796067.db2.gz ICPUKNLFHLGDPL-LBPRGKRZSA-N 2 1 222.357 1.934 20 0 BDADMP COCCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131895229 398294516 /nfs/dbraw/zinc/29/45/16/398294516.db2.gz LHBMGKLIOHGJIO-ZDUSSCGKSA-N 2 1 236.315 1.571 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634216 136241406 /nfs/dbraw/zinc/24/14/06/136241406.db2.gz NSQXKOAFABTUCH-OLZOCXBDSA-N 2 1 248.374 1.242 20 0 BDADMP CCCC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000390751328 539027346 /nfs/dbraw/zinc/02/73/46/539027346.db2.gz CWCHVRWKEAXQOC-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP CC(C)C[C@H](C)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313354102 259334080 /nfs/dbraw/zinc/33/40/80/259334080.db2.gz QARRZMCEJUKDFR-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223288994 259334045 /nfs/dbraw/zinc/33/40/45/259334045.db2.gz MRINAFGAROUDOV-TUAOUCFPSA-N 2 1 214.353 1.220 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351816796 136255377 /nfs/dbraw/zinc/25/53/77/136255377.db2.gz SNTGQPADZXJHCM-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351816796 136255378 /nfs/dbraw/zinc/25/53/78/136255378.db2.gz SNTGQPADZXJHCM-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853557 136258067 /nfs/dbraw/zinc/25/80/67/136258067.db2.gz PBDDZJGHUDDIKJ-GXSJLCMTSA-N 2 1 237.347 1.715 20 0 BDADMP CC(C)C[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357089474 187213836 /nfs/dbraw/zinc/21/38/36/187213836.db2.gz UGBHOKDZMWXEFB-ZDUSSCGKSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000351856750 136258399 /nfs/dbraw/zinc/25/83/99/136258399.db2.gz WATJLUKKLBQJAV-CHWSQXEVSA-N 2 1 247.386 1.922 20 0 BDADMP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000235244055 342999272 /nfs/dbraw/zinc/99/92/72/342999272.db2.gz RHOSTCIIEVJPDV-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1C(C)(C)O ZINC000162589529 349759605 /nfs/dbraw/zinc/75/96/05/349759605.db2.gz LZWPCFPQKRSIJL-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000162589529 349759609 /nfs/dbraw/zinc/75/96/09/349759609.db2.gz LZWPCFPQKRSIJL-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000162589529 349759613 /nfs/dbraw/zinc/75/96/13/349759613.db2.gz LZWPCFPQKRSIJL-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCOC1 ZINC000305250995 529621345 /nfs/dbraw/zinc/62/13/45/529621345.db2.gz HLBSECYRTHQGMQ-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218022 187221301 /nfs/dbraw/zinc/22/13/01/187221301.db2.gz DXCAXNNPOBQSAK-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1CCCC1 ZINC000309199363 259342256 /nfs/dbraw/zinc/34/22/56/259342256.db2.gz BFCFSLGUNSCKPT-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CCCC1 ZINC000309199363 259342258 /nfs/dbraw/zinc/34/22/58/259342258.db2.gz BFCFSLGUNSCKPT-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1CCCC1 ZINC000309199363 259342260 /nfs/dbraw/zinc/34/22/60/259342260.db2.gz BFCFSLGUNSCKPT-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CCCC1 ZINC000309199363 259342261 /nfs/dbraw/zinc/34/22/61/259342261.db2.gz BFCFSLGUNSCKPT-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000386386018 343053300 /nfs/dbraw/zinc/05/33/00/343053300.db2.gz DWJPACUSQAXIRU-AVGNSLFASA-N 2 1 226.364 1.676 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000127926910 187233009 /nfs/dbraw/zinc/23/30/09/187233009.db2.gz LNSQVRFMNHHJOJ-MGPQQGTHSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000127926910 187233011 /nfs/dbraw/zinc/23/30/11/187233011.db2.gz LNSQVRFMNHHJOJ-MGPQQGTHSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000127926910 187233013 /nfs/dbraw/zinc/23/30/13/187233013.db2.gz LNSQVRFMNHHJOJ-MGPQQGTHSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000634679503 343143526 /nfs/dbraw/zinc/14/35/26/343143526.db2.gz WXBDQRZPTDBPEM-QWHCGFSZSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1CCC1 ZINC000379926024 365738489 /nfs/dbraw/zinc/73/84/89/365738489.db2.gz UEXDOBVQASXGDW-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1CCC1 ZINC000379926024 365738497 /nfs/dbraw/zinc/73/84/97/365738497.db2.gz UEXDOBVQASXGDW-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1CCC1 ZINC000379926024 365738506 /nfs/dbraw/zinc/73/85/06/365738506.db2.gz UEXDOBVQASXGDW-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1CCC1 ZINC000379926024 365738511 /nfs/dbraw/zinc/73/85/11/365738511.db2.gz UEXDOBVQASXGDW-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP COC[C@H](C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000379927845 365738813 /nfs/dbraw/zinc/73/88/13/365738813.db2.gz MNXCMHBUXCOMOQ-LLVKDONJSA-N 2 1 212.337 1.120 20 0 BDADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000379926986 365738945 /nfs/dbraw/zinc/73/89/45/365738945.db2.gz LYHVJXIHQSGUPG-GFCCVEGCSA-N 2 1 207.321 1.741 20 0 BDADMP Cn1nccc1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634688217 343246605 /nfs/dbraw/zinc/24/66/05/343246605.db2.gz LXTCJAZCUZWJPB-AWEZNQCLSA-N 2 1 248.374 1.038 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)O1 ZINC000634688511 343247975 /nfs/dbraw/zinc/24/79/75/343247975.db2.gz VBFUBPYLCHSQQP-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)O1 ZINC000634688492 343248162 /nfs/dbraw/zinc/24/81/62/343248162.db2.gz UMMMRWYGDUSARF-MXWKQRLJSA-N 2 1 214.353 1.517 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)O1 ZINC000634688540 343249123 /nfs/dbraw/zinc/24/91/23/343249123.db2.gz VVAOQCYLSOQWDY-SYQHCUMBSA-N 2 1 238.375 1.485 20 0 BDADMP Cn1ccnc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635224 136300533 /nfs/dbraw/zinc/30/05/33/136300533.db2.gz SBROSVGWARVCTJ-OLZOCXBDSA-N 2 1 248.374 1.242 20 0 BDADMP CSCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000134997798 343372378 /nfs/dbraw/zinc/37/23/78/343372378.db2.gz GFOINUROYWNRDL-UHFFFAOYSA-N 2 1 225.361 1.600 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635194 136300755 /nfs/dbraw/zinc/30/07/55/136300755.db2.gz QXEHSDVTOTWGAU-CHWSQXEVSA-N 2 1 248.374 1.540 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635194 136300757 /nfs/dbraw/zinc/30/07/57/136300757.db2.gz QXEHSDVTOTWGAU-CHWSQXEVSA-N 2 1 248.374 1.540 20 0 BDADMP C1CSC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000335643551 136304028 /nfs/dbraw/zinc/30/40/28/136304028.db2.gz PIFBTMCAPZSKOQ-GHMZBOCLSA-N 2 1 214.378 1.614 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000335675823 136318600 /nfs/dbraw/zinc/31/86/00/136318600.db2.gz PSLZWCZWKASMAT-GFJIZPEISA-N 3 1 239.407 1.576 20 0 BDADMP CCN1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000335675823 136318601 /nfs/dbraw/zinc/31/86/01/136318601.db2.gz PSLZWCZWKASMAT-GFJIZPEISA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)C ZINC000166255768 136326559 /nfs/dbraw/zinc/32/65/59/136326559.db2.gz VWHCZMKWABGXSK-XBFCOCLRSA-N 3 1 239.407 1.256 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000040734858 343408203 /nfs/dbraw/zinc/40/82/03/343408203.db2.gz CRMDENIYKFCUHR-UHFFFAOYSA-N 2 1 234.343 1.619 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)C ZINC000166255858 136326724 /nfs/dbraw/zinc/32/67/24/136326724.db2.gz VWHCZMKWABGXSK-UBHSHLNASA-N 3 1 239.407 1.256 20 0 BDADMP Cn1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000335729630 136348339 /nfs/dbraw/zinc/34/83/39/136348339.db2.gz VDNOMDIOYJWNGD-AWEZNQCLSA-N 2 1 248.374 1.338 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335854127 136355930 /nfs/dbraw/zinc/35/59/30/136355930.db2.gz VTOGQOSFSVYIPY-ABXWRUBCSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000353969707 136356874 /nfs/dbraw/zinc/35/68/74/136356874.db2.gz CFCYDHFKFHPFDI-SYQHCUMBSA-N 2 1 240.391 1.589 20 0 BDADMP Cc1cc(NC[C@@H]([NH3+])C2CC2)nc(C)[nH+]1 ZINC000082593884 343450032 /nfs/dbraw/zinc/45/00/32/343450032.db2.gz NXJFGKLEFCQPOA-SNVBAGLBSA-N 2 1 206.293 1.243 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC2(C1)CCOCC2 ZINC000261542389 136374462 /nfs/dbraw/zinc/37/44/62/136374462.db2.gz BZASAJNHSSJMJS-UHFFFAOYSA-N 2 1 238.375 1.489 20 0 BDADMP COCC[N@H+](C)CCC[NH2+]CC1(F)CC1 ZINC000379923827 365751279 /nfs/dbraw/zinc/75/12/79/365751279.db2.gz JSYYAOATRGFKBE-UHFFFAOYSA-N 2 1 218.316 1.046 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]CC1(F)CC1 ZINC000379923827 365751283 /nfs/dbraw/zinc/75/12/83/365751283.db2.gz JSYYAOATRGFKBE-UHFFFAOYSA-N 2 1 218.316 1.046 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000310533193 343528021 /nfs/dbraw/zinc/52/80/21/343528021.db2.gz ONNNGKYBOGMUMO-IGQOVBAYSA-N 2 1 242.407 1.713 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000379944597 365755614 /nfs/dbraw/zinc/75/56/14/365755614.db2.gz ISZVXNYIAJWLRN-RYUDHWBXSA-N 2 1 216.369 1.587 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000379944597 365755619 /nfs/dbraw/zinc/75/56/19/365755619.db2.gz ISZVXNYIAJWLRN-RYUDHWBXSA-N 2 1 216.369 1.587 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cnn(C)c1 ZINC000044500608 343504316 /nfs/dbraw/zinc/50/43/16/343504316.db2.gz JGYSYZXSKHNGMC-WDEREUQCSA-N 2 1 224.352 1.411 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccncc1 ZINC000049330103 343595873 /nfs/dbraw/zinc/59/58/73/343595873.db2.gz CGAKKLFHOBRYOW-NSHDSACASA-N 2 1 230.315 1.937 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000049330119 343596089 /nfs/dbraw/zinc/59/60/89/343596089.db2.gz MNCIOXBENLVVLT-PWSUYJOCSA-N 2 1 223.320 1.349 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000049537316 343601306 /nfs/dbraw/zinc/60/13/06/343601306.db2.gz KRMYBANYDAWHQZ-UHFFFAOYSA-N 2 1 221.348 1.599 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000379995836 365785916 /nfs/dbraw/zinc/78/59/16/365785916.db2.gz JHAVUNSGZIOPJE-QWRGUYRKSA-N 2 1 214.328 1.951 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CNCCO1 ZINC000399148508 488227786 /nfs/dbraw/zinc/22/77/86/488227786.db2.gz GFFCKFGKZRTEOE-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000379969852 343662315 /nfs/dbraw/zinc/66/23/15/343662315.db2.gz ATPFRHSOCIOCJV-PWSUYJOCSA-N 2 1 207.321 1.741 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccnc1 ZINC000049329985 187269987 /nfs/dbraw/zinc/26/99/87/187269987.db2.gz GFPQQMQWRICNOD-UHFFFAOYSA-N 2 1 216.288 1.376 20 0 BDADMP CSCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178642456 346961622 /nfs/dbraw/zinc/96/16/22/346961622.db2.gz KNHOPYAVEAHOOQ-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CSCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178642456 346961626 /nfs/dbraw/zinc/96/16/26/346961626.db2.gz KNHOPYAVEAHOOQ-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CSCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178642456 346961631 /nfs/dbraw/zinc/96/16/31/346961631.db2.gz KNHOPYAVEAHOOQ-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414295 187274756 /nfs/dbraw/zinc/27/47/56/187274756.db2.gz LWJZDVZDGZUYGZ-MGPQQGTHSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414295 187274757 /nfs/dbraw/zinc/27/47/57/187274757.db2.gz LWJZDVZDGZUYGZ-MGPQQGTHSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414295 187274759 /nfs/dbraw/zinc/27/47/59/187274759.db2.gz LWJZDVZDGZUYGZ-MGPQQGTHSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414295 187274761 /nfs/dbraw/zinc/27/47/61/187274761.db2.gz LWJZDVZDGZUYGZ-MGPQQGTHSA-N 2 1 236.359 1.382 20 0 BDADMP Cc1ccc(O)c(CNCCC[NH+]2CCC2)n1 ZINC000577005511 343822530 /nfs/dbraw/zinc/82/25/30/343822530.db2.gz ZNZGMIKMNSWKSG-UHFFFAOYSA-N 2 1 235.331 1.281 20 0 BDADMP C[N@H+](CC[NH2+]CC[C@H]1CCOC1)C1CCCC1 ZINC000400521258 529917179 /nfs/dbraw/zinc/91/71/79/529917179.db2.gz CSUGLLOQCPGGKO-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](CC[NH2+]CC[C@H]1CCOC1)C1CCCC1 ZINC000400521258 529917181 /nfs/dbraw/zinc/91/71/81/529917181.db2.gz CSUGLLOQCPGGKO-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CN([C@H]2CC[N@@H+](C)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000382849559 343899011 /nfs/dbraw/zinc/89/90/11/343899011.db2.gz WPEGXRKVEWMARA-YIYPIFLZSA-N 3 1 239.407 1.243 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000382849559 343899013 /nfs/dbraw/zinc/89/90/13/343899013.db2.gz WPEGXRKVEWMARA-YIYPIFLZSA-N 3 1 239.407 1.243 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000382849559 343899014 /nfs/dbraw/zinc/89/90/14/343899014.db2.gz WPEGXRKVEWMARA-YIYPIFLZSA-N 3 1 239.407 1.243 20 0 BDADMP COc1ccccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401864012 343915422 /nfs/dbraw/zinc/91/54/22/343915422.db2.gz YXYXFZPDXDCHAC-UHFFFAOYSA-N 2 1 245.326 1.761 20 0 BDADMP C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919582 187357844 /nfs/dbraw/zinc/35/78/44/187357844.db2.gz LFKHSYNDUJJOKI-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130362392 344133185 /nfs/dbraw/zinc/13/31/85/344133185.db2.gz WBTPEHHHIIROGC-LBPRGKRZSA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130362392 344133186 /nfs/dbraw/zinc/13/31/86/344133186.db2.gz WBTPEHHHIIROGC-LBPRGKRZSA-N 2 1 225.336 1.284 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403218 344216787 /nfs/dbraw/zinc/21/67/87/344216787.db2.gz YVYHYWCLCNZAMP-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403218 344216788 /nfs/dbraw/zinc/21/67/88/344216788.db2.gz YVYHYWCLCNZAMP-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403218 344216789 /nfs/dbraw/zinc/21/67/89/344216789.db2.gz YVYHYWCLCNZAMP-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP COC(=O)CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000600700819 344359662 /nfs/dbraw/zinc/35/96/62/344359662.db2.gz FICUQDFAXZWNPZ-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000600700819 344359663 /nfs/dbraw/zinc/35/96/63/344359663.db2.gz FICUQDFAXZWNPZ-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCC(=O)OC ZINC000600703138 344359694 /nfs/dbraw/zinc/35/96/94/344359694.db2.gz LLXXPVRBJPPIPH-NSHDSACASA-N 2 1 228.336 1.014 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCC(=O)OC ZINC000600703138 344359695 /nfs/dbraw/zinc/35/96/95/344359695.db2.gz LLXXPVRBJPPIPH-NSHDSACASA-N 2 1 228.336 1.014 20 0 BDADMP COC(=O)CCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000600710536 344360698 /nfs/dbraw/zinc/36/06/98/344360698.db2.gz OKBXSMDQZAQZSK-DGCLKSJQSA-N 2 1 240.347 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000600710536 344360700 /nfs/dbraw/zinc/36/07/00/344360700.db2.gz OKBXSMDQZAQZSK-DGCLKSJQSA-N 2 1 240.347 1.143 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132708078 344306637 /nfs/dbraw/zinc/30/66/37/344306637.db2.gz XWVWYXCDNRVOEB-WOPDTQHZSA-N 2 1 214.353 1.199 20 0 BDADMP CCc1nc(NC[C@H](C)C[NH2+]C)cc(C)[nH+]1 ZINC000304277535 344369786 /nfs/dbraw/zinc/36/97/86/344369786.db2.gz DRQDXNQHFUISCW-SECBINFHSA-N 2 1 222.336 1.615 20 0 BDADMP CC[NH+]1CCN([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000107369463 347050559 /nfs/dbraw/zinc/05/05/59/347050559.db2.gz VTEORMQGTZZPJA-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP Cc1nc(N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000634808548 344393165 /nfs/dbraw/zinc/39/31/65/344393165.db2.gz WLPTVYMOAOPNPN-QPUJVOFHSA-N 2 1 234.347 1.954 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000236910214 344455237 /nfs/dbraw/zinc/45/52/37/344455237.db2.gz UMLUECFJZDETAC-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158242767 344570614 /nfs/dbraw/zinc/57/06/14/344570614.db2.gz WDUPICAVDWSCGT-QWRGUYRKSA-N 2 1 242.363 1.258 20 0 BDADMP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)no1 ZINC000044514314 344541303 /nfs/dbraw/zinc/54/13/03/344541303.db2.gz AEYMNCFETOZJMJ-UHFFFAOYSA-N 2 1 209.293 1.154 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000382006637 347054762 /nfs/dbraw/zinc/05/47/62/347054762.db2.gz BHJHPNKJPYHSFC-XKNYDFJKSA-N 2 1 218.291 1.712 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000382006637 347054765 /nfs/dbraw/zinc/05/47/65/347054765.db2.gz BHJHPNKJPYHSFC-XKNYDFJKSA-N 2 1 218.291 1.712 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@]21C ZINC000626103491 344741080 /nfs/dbraw/zinc/74/10/80/344741080.db2.gz BVQVVBJWLYSBDX-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@]21C ZINC000626103491 344741081 /nfs/dbraw/zinc/74/10/81/344741081.db2.gz BVQVVBJWLYSBDX-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103491 344741083 /nfs/dbraw/zinc/74/10/83/344741083.db2.gz BVQVVBJWLYSBDX-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103491 344741084 /nfs/dbraw/zinc/74/10/84/344741084.db2.gz BVQVVBJWLYSBDX-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000382030639 347073588 /nfs/dbraw/zinc/07/35/88/347073588.db2.gz DGEJQYLXLBRLEN-YNEHKIRRSA-N 2 1 226.364 1.208 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C1CCCC1 ZINC000583388967 344871967 /nfs/dbraw/zinc/87/19/67/344871967.db2.gz RETAECXEDARMJS-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C1CCCC1 ZINC000583388967 344871970 /nfs/dbraw/zinc/87/19/70/344871970.db2.gz RETAECXEDARMJS-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1CCCC1 ZINC000583388967 344871971 /nfs/dbraw/zinc/87/19/71/344871971.db2.gz RETAECXEDARMJS-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1CCCC1 ZINC000583388967 344871973 /nfs/dbraw/zinc/87/19/73/344871973.db2.gz RETAECXEDARMJS-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339069038 537870888 /nfs/dbraw/zinc/87/08/88/537870888.db2.gz UJZVDLDKDHHOBS-XDQVBPFNSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)O)[C@H](C)C1 ZINC000079462627 344976544 /nfs/dbraw/zinc/97/65/44/344976544.db2.gz COWUYRKVGNKKMN-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CCC(CC)C[N@@H+]1CCO[C@@H](CN(C)C)C1 ZINC000153881812 344992192 /nfs/dbraw/zinc/99/21/92/344992192.db2.gz PAPAGJHWBFZALO-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP CCC(CC)C[N@H+]1CCO[C@@H](CN(C)C)C1 ZINC000153881812 344992193 /nfs/dbraw/zinc/99/21/93/344992193.db2.gz PAPAGJHWBFZALO-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000248131986 345051258 /nfs/dbraw/zinc/05/12/58/345051258.db2.gz OOIIJDVXAFDBBI-UONOGXRCSA-N 2 1 248.374 1.336 20 0 BDADMP CCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000050888237 345018531 /nfs/dbraw/zinc/01/85/31/345018531.db2.gz HDJWJMQHMYMVLG-MNOVXSKESA-N 2 1 202.342 1.077 20 0 BDADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000154261137 345022576 /nfs/dbraw/zinc/02/25/76/345022576.db2.gz WDUFQMYNGHBXIP-WFASDCNBSA-N 2 1 248.370 1.494 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCCC ZINC000154550985 345041905 /nfs/dbraw/zinc/04/19/05/345041905.db2.gz OVWWYHYHPRVTKD-GFCCVEGCSA-N 2 1 243.395 1.352 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000634991596 345177451 /nfs/dbraw/zinc/17/74/51/345177451.db2.gz KHRBBZXVFYFJDK-DGAVXFQQSA-N 3 1 239.407 1.277 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000634993480 345190733 /nfs/dbraw/zinc/19/07/33/345190733.db2.gz WBBRXVGBVHKRLH-GQKFXUNGSA-N 2 1 249.402 1.155 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634995080 345183626 /nfs/dbraw/zinc/18/36/26/345183626.db2.gz UNCQMEKSTMJIAW-ZIAGYGMSSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)[C@H](C[NH3+])CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634995080 345183627 /nfs/dbraw/zinc/18/36/27/345183627.db2.gz UNCQMEKSTMJIAW-ZIAGYGMSSA-N 2 1 239.407 1.293 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000634993794 345191886 /nfs/dbraw/zinc/19/18/86/345191886.db2.gz GTYWKOVMWCMMAP-OLZOCXBDSA-N 2 1 227.396 1.278 20 0 BDADMP C[C@H]1C[N@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000634999607 345200166 /nfs/dbraw/zinc/20/01/66/345200166.db2.gz WZHAAVNZECMOND-DTWKUNHWSA-N 2 1 211.334 1.170 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000634999607 345200167 /nfs/dbraw/zinc/20/01/67/345200167.db2.gz WZHAAVNZECMOND-DTWKUNHWSA-N 2 1 211.334 1.170 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000635003132 345205820 /nfs/dbraw/zinc/20/58/20/345205820.db2.gz GPAMMYMMYJWHPO-IJLUTSLNSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635003637 345206239 /nfs/dbraw/zinc/20/62/39/345206239.db2.gz BCSCFDHWBMKPTE-YDHLFZDLSA-N 3 1 249.402 1.662 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008429 345215998 /nfs/dbraw/zinc/21/59/98/345215998.db2.gz UFMRDWNOASOIII-QJPTWQEYSA-N 3 1 227.396 1.480 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCOC)C1 ZINC000446780485 537896348 /nfs/dbraw/zinc/89/63/48/537896348.db2.gz KNKPKLVGKRDNCM-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446780485 537896356 /nfs/dbraw/zinc/89/63/56/537896356.db2.gz KNKPKLVGKRDNCM-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446780485 537896360 /nfs/dbraw/zinc/89/63/60/537896360.db2.gz KNKPKLVGKRDNCM-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367601845 187302180 /nfs/dbraw/zinc/30/21/80/187302180.db2.gz PWQNXLLAKGCHPE-MGPQQGTHSA-N 2 1 248.374 1.681 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000158587134 345352742 /nfs/dbraw/zinc/35/27/42/345352742.db2.gz MRNQIJPBLXSYQZ-JTQLQIEISA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158587591 345352895 /nfs/dbraw/zinc/35/28/95/345352895.db2.gz BGWUVXGADHHMKI-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP COCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000158707917 345368819 /nfs/dbraw/zinc/36/88/19/345368819.db2.gz ATHULPHXJVTDGX-FUNVUKJBSA-N 2 1 226.364 1.628 20 0 BDADMP COCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158906328 345389529 /nfs/dbraw/zinc/38/95/29/345389529.db2.gz CDLYIXOXIZCYQS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158906328 345389531 /nfs/dbraw/zinc/38/95/31/345389531.db2.gz CDLYIXOXIZCYQS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158906328 345389538 /nfs/dbraw/zinc/38/95/38/345389538.db2.gz CDLYIXOXIZCYQS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)[NH3+] ZINC000082241809 345497591 /nfs/dbraw/zinc/49/75/91/345497591.db2.gz MBXASHPPIODBLK-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)[NH+](CC[NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000336666949 187305417 /nfs/dbraw/zinc/30/54/17/187305417.db2.gz QIIUXJSHMJCECQ-ZDUSSCGKSA-N 3 1 229.412 1.822 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000194353027 192089090 /nfs/dbraw/zinc/08/90/90/192089090.db2.gz QCECMKHAGQJGNW-ZDUSSCGKSA-N 2 1 248.374 1.805 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000090454033 345568562 /nfs/dbraw/zinc/56/85/62/345568562.db2.gz ZLVOCVLDUUAMKN-RTXFEEFZSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000090454033 345568567 /nfs/dbraw/zinc/56/85/67/345568567.db2.gz ZLVOCVLDUUAMKN-RTXFEEFZSA-N 2 1 248.374 1.197 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)oc1C ZINC000252863973 345584178 /nfs/dbraw/zinc/58/41/78/345584178.db2.gz OXPGAPWMRFQOPS-RWMBFGLXSA-N 2 1 249.358 1.851 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)oc1C ZINC000252863973 345584181 /nfs/dbraw/zinc/58/41/81/345584181.db2.gz OXPGAPWMRFQOPS-RWMBFGLXSA-N 2 1 249.358 1.851 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cn1 ZINC000194349341 192089365 /nfs/dbraw/zinc/08/93/65/192089365.db2.gz CAICEVOGNHXKGE-GFCCVEGCSA-N 2 1 234.347 1.415 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cn1 ZINC000194349341 192089366 /nfs/dbraw/zinc/08/93/66/192089366.db2.gz CAICEVOGNHXKGE-GFCCVEGCSA-N 2 1 234.347 1.415 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000215637830 345742953 /nfs/dbraw/zinc/74/29/53/345742953.db2.gz CCYVYGQSZQIONZ-ZDUSSCGKSA-N 2 1 204.317 1.489 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CO)CC1 ZINC000207051772 345734223 /nfs/dbraw/zinc/73/42/23/345734223.db2.gz FEOZECIXQDQOLW-GFCCVEGCSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336744583 187309970 /nfs/dbraw/zinc/30/99/70/187309970.db2.gz QGMCYXMSDVDCPT-RKDXNWHRSA-N 2 1 242.285 1.230 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310225405 187311633 /nfs/dbraw/zinc/31/16/33/187311633.db2.gz GSXMCVHTQYMHRR-AWEZNQCLSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCOCC1 ZINC000119021350 187311845 /nfs/dbraw/zinc/31/18/45/187311845.db2.gz PZGOPBRVWUOTJM-JQWIXIFHSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCOCC1 ZINC000119021350 187311847 /nfs/dbraw/zinc/31/18/47/187311847.db2.gz PZGOPBRVWUOTJM-JQWIXIFHSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1cc(N2CCC[N@H+](C)CC2)cc[nH+]1 ZINC000145650543 345940079 /nfs/dbraw/zinc/94/00/79/345940079.db2.gz YWOQBKWAIJAGLY-UHFFFAOYSA-N 2 1 205.305 1.532 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641749858 362671146 /nfs/dbraw/zinc/67/11/46/362671146.db2.gz YGVDQFAIPHEOPQ-DSYXLKISSA-N 2 1 249.358 1.564 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000641747574 362674156 /nfs/dbraw/zinc/67/41/56/362674156.db2.gz LKVFVMOQIGRLLC-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000641747574 362674160 /nfs/dbraw/zinc/67/41/60/362674160.db2.gz LKVFVMOQIGRLLC-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+](CC[NH2+]C[C@@H](C)COC)C(C)C ZINC000380316681 346366545 /nfs/dbraw/zinc/36/65/45/346366545.db2.gz JCGUFTMUJIKPGX-GFCCVEGCSA-N 2 1 216.369 1.589 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000300358107 346340888 /nfs/dbraw/zinc/34/08/88/346340888.db2.gz BNMZFLFIBLBRDU-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CC[N@@H+](CC[NH2+]C[C@@H](C)COC)C(C)C ZINC000380316681 346366549 /nfs/dbraw/zinc/36/65/49/346366549.db2.gz JCGUFTMUJIKPGX-GFCCVEGCSA-N 2 1 216.369 1.589 20 0 BDADMP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157906605 346417330 /nfs/dbraw/zinc/41/73/30/346417330.db2.gz PTIUQMLIXIWWRY-NDBYEHHHSA-N 2 1 224.348 1.116 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641797615 362744818 /nfs/dbraw/zinc/74/48/18/362744818.db2.gz DLHCSSIWFIUFHZ-WCQYABFASA-N 2 1 236.363 1.022 20 0 BDADMP CCc1nc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000641799663 362747958 /nfs/dbraw/zinc/74/79/58/362747958.db2.gz YTUKYOOIXBYMDE-KOLCDFICSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000641799661 362748768 /nfs/dbraw/zinc/74/87/68/362748768.db2.gz YTUKYOOIXBYMDE-GXSJLCMTSA-N 2 1 237.347 1.715 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803943 362761840 /nfs/dbraw/zinc/76/18/40/362761840.db2.gz WEZJPDOKIJIBME-VXGBXAGGSA-N 3 1 236.363 1.297 20 0 BDADMP CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876424 346561668 /nfs/dbraw/zinc/56/16/68/346561668.db2.gz ZBSUHEDLACQRPZ-UHFFFAOYSA-N 2 1 207.321 1.695 20 0 BDADMP COC[C@H](C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+])OC ZINC000641810426 362766615 /nfs/dbraw/zinc/76/66/15/362766615.db2.gz WVLAHTNOHYIYHN-RNJOBUHISA-N 2 1 244.379 1.096 20 0 BDADMP COC[C@H](C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+])OC ZINC000641810426 362766619 /nfs/dbraw/zinc/76/66/19/362766619.db2.gz WVLAHTNOHYIYHN-RNJOBUHISA-N 2 1 244.379 1.096 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)COC)C1 ZINC000187387680 346572839 /nfs/dbraw/zinc/57/28/39/346572839.db2.gz OZZAPYVEVAEXSY-ZIAGYGMSSA-N 2 1 242.407 1.933 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187387680 346572842 /nfs/dbraw/zinc/57/28/42/346572842.db2.gz OZZAPYVEVAEXSY-ZIAGYGMSSA-N 2 1 242.407 1.933 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187387680 346572845 /nfs/dbraw/zinc/57/28/45/346572845.db2.gz OZZAPYVEVAEXSY-ZIAGYGMSSA-N 2 1 242.407 1.933 20 0 BDADMP Cc1cccc(N2CC[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000293088008 179122784 /nfs/dbraw/zinc/12/27/84/179122784.db2.gz OIJRVBSOZSELPZ-LBPRGKRZSA-N 2 1 219.332 1.778 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121012 346682994 /nfs/dbraw/zinc/68/29/94/346682994.db2.gz LNQHZYYARYMFQB-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H]1CCCCC[N@H+]1C[C@H](O)CN(C)CC ZINC000380087976 365870385 /nfs/dbraw/zinc/87/03/85/365870385.db2.gz UETPJJKNFDXQNF-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000380087976 365870388 /nfs/dbraw/zinc/87/03/88/365870388.db2.gz UETPJJKNFDXQNF-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000380087976 365870391 /nfs/dbraw/zinc/87/03/91/365870391.db2.gz UETPJJKNFDXQNF-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000380087976 365870395 /nfs/dbraw/zinc/87/03/95/365870395.db2.gz UETPJJKNFDXQNF-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000380087976 365870400 /nfs/dbraw/zinc/87/04/00/365870400.db2.gz UETPJJKNFDXQNF-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@@H+]1C ZINC000378687110 346806540 /nfs/dbraw/zinc/80/65/40/346806540.db2.gz FSDPOVKUYFUQII-FIQHERPVSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@H+]1C ZINC000378687110 346806544 /nfs/dbraw/zinc/80/65/44/346806544.db2.gz FSDPOVKUYFUQII-FIQHERPVSA-N 2 1 214.328 1.949 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000622004327 370655913 /nfs/dbraw/zinc/65/59/13/370655913.db2.gz NKUHWALLMLFBER-UPJWGTAASA-N 2 1 224.348 1.226 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000309634801 347126087 /nfs/dbraw/zinc/12/60/87/347126087.db2.gz JCHVLJCTPACPKI-LBPRGKRZSA-N 2 1 226.364 1.344 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@H](N)C[C@@H]1C ZINC000601329064 347217754 /nfs/dbraw/zinc/21/77/54/347217754.db2.gz DOOPZLGPUJLQQI-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@H](N)C[C@@H]1C ZINC000601329064 347217757 /nfs/dbraw/zinc/21/77/57/347217757.db2.gz DOOPZLGPUJLQQI-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601329064 347217759 /nfs/dbraw/zinc/21/77/59/347217759.db2.gz DOOPZLGPUJLQQI-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601329064 347217762 /nfs/dbraw/zinc/21/77/62/347217762.db2.gz DOOPZLGPUJLQQI-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP CCCC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000310120219 347234545 /nfs/dbraw/zinc/23/45/45/347234545.db2.gz DJZWWAJUVDNHDJ-OCCSQVGLSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310120219 347234547 /nfs/dbraw/zinc/23/45/47/347234547.db2.gz DJZWWAJUVDNHDJ-OCCSQVGLSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310120219 347234550 /nfs/dbraw/zinc/23/45/50/347234550.db2.gz DJZWWAJUVDNHDJ-OCCSQVGLSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310120219 347234553 /nfs/dbraw/zinc/23/45/53/347234553.db2.gz DJZWWAJUVDNHDJ-OCCSQVGLSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310120219 347234555 /nfs/dbraw/zinc/23/45/55/347234555.db2.gz DJZWWAJUVDNHDJ-OCCSQVGLSA-N 2 1 242.407 1.952 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000310460608 347285773 /nfs/dbraw/zinc/28/57/73/347285773.db2.gz ASHDJBKEEVROGI-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCC[C@H]21 ZINC000310460608 347285774 /nfs/dbraw/zinc/28/57/74/347285774.db2.gz ASHDJBKEEVROGI-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCC[C@H]21 ZINC000310460608 347285776 /nfs/dbraw/zinc/28/57/76/347285776.db2.gz ASHDJBKEEVROGI-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000310460608 347285777 /nfs/dbraw/zinc/28/57/77/347285777.db2.gz ASHDJBKEEVROGI-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000310460608 347285779 /nfs/dbraw/zinc/28/57/79/347285779.db2.gz ASHDJBKEEVROGI-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631158551 347289366 /nfs/dbraw/zinc/28/93/66/347289366.db2.gz WMASFQPCJQSBPF-GFCCVEGCSA-N 2 1 249.358 1.609 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H](C)C1 ZINC000310538074 347293863 /nfs/dbraw/zinc/29/38/63/347293863.db2.gz PVKXKIWEHXIEMG-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H](C)C1 ZINC000310538074 347293867 /nfs/dbraw/zinc/29/38/67/347293867.db2.gz PVKXKIWEHXIEMG-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000310538074 347293871 /nfs/dbraw/zinc/29/38/71/347293871.db2.gz PVKXKIWEHXIEMG-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000310538074 347293873 /nfs/dbraw/zinc/29/38/73/347293873.db2.gz PVKXKIWEHXIEMG-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP [NH3+][C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000250655245 362815892 /nfs/dbraw/zinc/81/58/92/362815892.db2.gz UYCYGECWSULEDD-HUUCEWRRSA-N 2 1 245.370 1.294 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@](C)(O)C1 ZINC000191804538 347360337 /nfs/dbraw/zinc/36/03/37/347360337.db2.gz VGCSBSRCDYPMNB-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccn1 ZINC000382576411 347366670 /nfs/dbraw/zinc/36/66/70/347366670.db2.gz FWKCJRSLPATIAS-LLVKDONJSA-N 2 1 219.332 1.874 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C)O2)CC[C@@H]1[NH3+] ZINC000149786337 347517440 /nfs/dbraw/zinc/51/74/40/347517440.db2.gz TZBXVQJDUAHLEG-RNJOBUHISA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])O1 ZINC000149780810 347518291 /nfs/dbraw/zinc/51/82/91/347518291.db2.gz RDGPMMVRCIHPAD-WDEREUQCSA-N 2 1 214.353 1.471 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1COC(C)(C)C1 ZINC000401700733 347604829 /nfs/dbraw/zinc/60/48/29/347604829.db2.gz OKIJDSHOZPTIQV-SNVBAGLBSA-N 2 1 223.320 1.120 20 0 BDADMP Cc1cc[nH+]c(N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000082479215 347623674 /nfs/dbraw/zinc/62/36/74/347623674.db2.gz NXJDEXZLTBTHPC-NSHDSACASA-N 2 1 219.332 1.954 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCF ZINC000308458242 347669598 /nfs/dbraw/zinc/66/95/98/347669598.db2.gz FMBDFVUGSULKIB-GHMZBOCLSA-N 2 1 202.317 1.938 20 0 BDADMP CSCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181479 347759517 /nfs/dbraw/zinc/75/95/17/347759517.db2.gz FIAQBENYOGJNAW-UHFFFAOYSA-N 2 1 244.404 1.146 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252978501 347825353 /nfs/dbraw/zinc/82/53/53/347825353.db2.gz CEJJQPSULBUAFI-QWRGUYRKSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252978501 347825356 /nfs/dbraw/zinc/82/53/56/347825356.db2.gz CEJJQPSULBUAFI-QWRGUYRKSA-N 2 1 222.336 1.072 20 0 BDADMP COC(=O)[C@@H]([NH2+]CC1CC[NH2+]CC1)C(C)(C)C ZINC000592429545 347785023 /nfs/dbraw/zinc/78/50/23/347785023.db2.gz NLSZXGVTVMRFPQ-LLVKDONJSA-N 2 1 242.363 1.163 20 0 BDADMP C[C@@H](CSCCF)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000595025623 348172797 /nfs/dbraw/zinc/17/27/97/348172797.db2.gz HUYSEARBPUAEPU-NSHDSACASA-N 2 1 246.395 1.929 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000161854464 179373566 /nfs/dbraw/zinc/37/35/66/179373566.db2.gz TWCMTKUYPFKWMR-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP Cc1cccnc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000161859098 179371203 /nfs/dbraw/zinc/37/12/03/179371203.db2.gz PLDGEBZVJQYTDL-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Cc1cccnc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000161859098 179371204 /nfs/dbraw/zinc/37/12/04/179371204.db2.gz PLDGEBZVJQYTDL-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000221640151 179376342 /nfs/dbraw/zinc/37/63/42/179376342.db2.gz MSDFBFGAHOITEZ-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000221640151 179376343 /nfs/dbraw/zinc/37/63/43/179376343.db2.gz MSDFBFGAHOITEZ-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000037248646 348291199 /nfs/dbraw/zinc/29/11/99/348291199.db2.gz JCPHERHCWRVVTB-UHFFFAOYSA-N 2 1 210.346 1.932 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000397610204 362896344 /nfs/dbraw/zinc/89/63/44/362896344.db2.gz BTNNGNCRDUSMLR-AVGNSLFASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000397400544 362884847 /nfs/dbraw/zinc/88/48/47/362884847.db2.gz QVFVXOTWPKCYRB-MDZLAQPJSA-N 2 1 236.363 1.257 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2CC[NH3+])O1 ZINC000251604753 362889502 /nfs/dbraw/zinc/88/95/02/362889502.db2.gz CUSAWALKDKAXSJ-FRRDWIJNSA-N 2 1 226.364 1.757 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623496825 362921451 /nfs/dbraw/zinc/92/14/51/362921451.db2.gz MCLOHXQQQAFCBY-AGIUHOORSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCC(=O)OC ZINC000595873620 348387177 /nfs/dbraw/zinc/38/71/77/348387177.db2.gz NWMHWNDMXPZDJP-UHFFFAOYSA-N 2 1 244.379 1.650 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCC(=O)OC ZINC000595873620 348387178 /nfs/dbraw/zinc/38/71/78/348387178.db2.gz NWMHWNDMXPZDJP-UHFFFAOYSA-N 2 1 244.379 1.650 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)C ZINC000308823832 348761481 /nfs/dbraw/zinc/76/14/81/348761481.db2.gz KIGDRJGSNPEVPS-LLVKDONJSA-N 2 1 216.369 1.277 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)C ZINC000308823832 348761484 /nfs/dbraw/zinc/76/14/84/348761484.db2.gz KIGDRJGSNPEVPS-LLVKDONJSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)C ZINC000308823832 348761486 /nfs/dbraw/zinc/76/14/86/348761486.db2.gz KIGDRJGSNPEVPS-LLVKDONJSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)C ZINC000308823832 348761488 /nfs/dbraw/zinc/76/14/88/348761488.db2.gz KIGDRJGSNPEVPS-LLVKDONJSA-N 2 1 216.369 1.277 20 0 BDADMP C([NH2+][C@H]1CCCOC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000070013470 490197389 /nfs/dbraw/zinc/19/73/89/490197389.db2.gz FUMLCSKGSILTDK-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623510183 362935428 /nfs/dbraw/zinc/93/54/28/362935428.db2.gz KUISMFKGRPGVLN-RYUDHWBXSA-N 2 1 228.380 1.610 20 0 BDADMP COc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000054240374 348961162 /nfs/dbraw/zinc/96/11/62/348961162.db2.gz ZVUCZYCVSQSXSG-ZDUSSCGKSA-N 2 1 249.358 1.522 20 0 BDADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000054240374 348961165 /nfs/dbraw/zinc/96/11/65/348961165.db2.gz ZVUCZYCVSQSXSG-ZDUSSCGKSA-N 2 1 249.358 1.522 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000250779834 349179772 /nfs/dbraw/zinc/17/97/72/349179772.db2.gz XJBOOIHAQVDJFM-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252880602 349221354 /nfs/dbraw/zinc/22/13/54/349221354.db2.gz YKNLSSYEXKWTAE-AVGNSLFASA-N 2 1 248.374 1.462 20 0 BDADMP CCn1ccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252880602 349221358 /nfs/dbraw/zinc/22/13/58/349221358.db2.gz YKNLSSYEXKWTAE-AVGNSLFASA-N 2 1 248.374 1.462 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CO1 ZINC000402064093 349288885 /nfs/dbraw/zinc/28/88/85/349288885.db2.gz VMEFTOBJIZPZBJ-OAACRXHESA-N 2 1 232.327 1.898 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccnn1C ZINC000219255274 350118171 /nfs/dbraw/zinc/11/81/71/350118171.db2.gz GGTXGYIHAYRLLK-GFCCVEGCSA-N 2 1 238.379 1.801 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccnn1C ZINC000219255274 350118176 /nfs/dbraw/zinc/11/81/76/350118176.db2.gz GGTXGYIHAYRLLK-GFCCVEGCSA-N 2 1 238.379 1.801 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccnn1C ZINC000219255274 350118181 /nfs/dbraw/zinc/11/81/81/350118181.db2.gz GGTXGYIHAYRLLK-GFCCVEGCSA-N 2 1 238.379 1.801 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133524098 191040410 /nfs/dbraw/zinc/04/04/10/191040410.db2.gz PTJYATGIGQCPLR-UPJWGTAASA-N 2 1 228.380 1.466 20 0 BDADMP CCC[N@H+](CCO)CCCc1c[nH+]cn1C ZINC000314095100 350167260 /nfs/dbraw/zinc/16/72/60/350167260.db2.gz AXKBZDVFGJHZBS-UHFFFAOYSA-N 2 1 225.336 1.057 20 0 BDADMP CCC[N@@H+](CCO)CCCc1c[nH+]cn1C ZINC000314095100 350167264 /nfs/dbraw/zinc/16/72/64/350167264.db2.gz AXKBZDVFGJHZBS-UHFFFAOYSA-N 2 1 225.336 1.057 20 0 BDADMP C[C@H](O)[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000315049214 350178451 /nfs/dbraw/zinc/17/84/51/350178451.db2.gz JCVOJFCKSPCCAO-RYUDHWBXSA-N 2 1 237.347 1.055 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000315049214 350178454 /nfs/dbraw/zinc/17/84/54/350178454.db2.gz JCVOJFCKSPCCAO-RYUDHWBXSA-N 2 1 237.347 1.055 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309585074 490358240 /nfs/dbraw/zinc/35/82/40/490358240.db2.gz RXXBEEVOSSVLQI-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000309385890 180146262 /nfs/dbraw/zinc/14/62/62/180146262.db2.gz DRKPMKDIJGHBCL-BXKDBHETSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000309385890 180146264 /nfs/dbraw/zinc/14/62/64/180146264.db2.gz DRKPMKDIJGHBCL-BXKDBHETSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000122328444 180146770 /nfs/dbraw/zinc/14/67/70/180146770.db2.gz CSDMFMUZWMTKSO-WCBMZHEXSA-N 2 1 225.361 1.621 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000083425470 350204892 /nfs/dbraw/zinc/20/48/92/350204892.db2.gz SOBIREDKPMVNQE-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1nccc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000272255988 180194651 /nfs/dbraw/zinc/19/46/51/180194651.db2.gz ZGWRULAEXWESPT-VXGBXAGGSA-N 2 1 232.331 1.315 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000309238426 350214643 /nfs/dbraw/zinc/21/46/43/350214643.db2.gz KBBAPYAOVDCDDN-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000309238426 350214646 /nfs/dbraw/zinc/21/46/46/350214646.db2.gz KBBAPYAOVDCDDN-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125548711 180220713 /nfs/dbraw/zinc/22/07/13/180220713.db2.gz KACLUMYAAJCOMC-ZDUSSCGKSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125548711 180220715 /nfs/dbraw/zinc/22/07/15/180220715.db2.gz KACLUMYAAJCOMC-ZDUSSCGKSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305755920 180239772 /nfs/dbraw/zinc/23/97/72/180239772.db2.gz BJCZHRRJNZWTKJ-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305755920 180239774 /nfs/dbraw/zinc/23/97/74/180239774.db2.gz BJCZHRRJNZWTKJ-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCOCC1 ZINC000336694289 180236219 /nfs/dbraw/zinc/23/62/19/180236219.db2.gz IYGGIZCNBQKFNE-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCOCC1 ZINC000336694289 180236222 /nfs/dbraw/zinc/23/62/22/180236222.db2.gz IYGGIZCNBQKFNE-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(C)c1 ZINC000136351388 180237324 /nfs/dbraw/zinc/23/73/24/180237324.db2.gz LIGOPGVDMHGKJB-UHFFFAOYSA-N 2 1 247.346 1.447 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(C)c1 ZINC000136351388 180237325 /nfs/dbraw/zinc/23/73/25/180237325.db2.gz LIGOPGVDMHGKJB-UHFFFAOYSA-N 2 1 247.346 1.447 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CC1=CCCOC1 ZINC000269316577 180245687 /nfs/dbraw/zinc/24/56/87/180245687.db2.gz XLJUKAAMKDCFPG-UHFFFAOYSA-N 2 1 235.331 1.518 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CSC[C@H]1C ZINC000285421650 180247278 /nfs/dbraw/zinc/24/72/78/180247278.db2.gz BWCXOFJKVXNUKV-PWSUYJOCSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1[nH+]ccn1CCC[NH+]1CC(O)(C2CC2)C1 ZINC000373753676 180241863 /nfs/dbraw/zinc/24/18/63/180241863.db2.gz LDFREJIYGXRVDL-UHFFFAOYSA-N 2 1 235.331 1.038 20 0 BDADMP Cc1nccn1CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365843314 180242557 /nfs/dbraw/zinc/24/25/57/180242557.db2.gz DZCUYFNMBMGAIG-OKILXGFUSA-N 2 1 248.374 1.075 20 0 BDADMP Cc1nccn1CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365843314 180242560 /nfs/dbraw/zinc/24/25/60/180242560.db2.gz DZCUYFNMBMGAIG-OKILXGFUSA-N 2 1 248.374 1.075 20 0 BDADMP Cc1nccn1CCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365843314 180242561 /nfs/dbraw/zinc/24/25/61/180242561.db2.gz DZCUYFNMBMGAIG-OKILXGFUSA-N 2 1 248.374 1.075 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357089945 180242629 /nfs/dbraw/zinc/24/26/29/180242629.db2.gz QDYRXJSOPPUTPU-ZIAGYGMSSA-N 2 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357089945 180242631 /nfs/dbraw/zinc/24/26/31/180242631.db2.gz QDYRXJSOPPUTPU-ZIAGYGMSSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357089945 180242633 /nfs/dbraw/zinc/24/26/33/180242633.db2.gz QDYRXJSOPPUTPU-ZIAGYGMSSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nncn1C ZINC000358788493 180244438 /nfs/dbraw/zinc/24/44/38/180244438.db2.gz GJPGBIMBKMCAAF-JTQLQIEISA-N 2 1 248.334 1.061 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1 ZINC000334854820 538078728 /nfs/dbraw/zinc/07/87/28/538078728.db2.gz GBCHHJFMSISHJH-MNOVXSKESA-N 2 1 248.317 1.219 20 0 BDADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000295055193 180273462 /nfs/dbraw/zinc/27/34/62/180273462.db2.gz QQNUBYINOFNIJO-WCQYABFASA-N 2 1 248.374 1.400 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCOC1 ZINC000088702331 180268618 /nfs/dbraw/zinc/26/86/18/180268618.db2.gz RTOROFOWIWLRBW-ZYHUDNBSSA-N 2 1 223.320 1.206 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228065404 180337569 /nfs/dbraw/zinc/33/75/69/180337569.db2.gz QQZHHTURQJYNBZ-BXKDBHETSA-N 2 1 236.363 1.206 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC[C@@H](C)O2)CC1 ZINC000336696150 350451584 /nfs/dbraw/zinc/45/15/84/350451584.db2.gz QGQMPMSAAGYZKI-TZMCWYRMSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC[C@@H](C)O2)CC1 ZINC000336696150 350451591 /nfs/dbraw/zinc/45/15/91/350451591.db2.gz QGQMPMSAAGYZKI-TZMCWYRMSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538154 362957224 /nfs/dbraw/zinc/95/72/24/362957224.db2.gz YYPKGFFJDMGUQB-QWHCGFSZSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)c1nccn1C)N(C)C ZINC000070007900 350490334 /nfs/dbraw/zinc/49/03/34/350490334.db2.gz WNNSTCZCWRONMW-ZJUUUORDSA-N 2 1 210.325 1.021 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](C)O ZINC000623540338 362958553 /nfs/dbraw/zinc/95/85/53/362958553.db2.gz VPZFCKKVMNPYCW-TUAOUCFPSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227192142 350487383 /nfs/dbraw/zinc/48/73/83/350487383.db2.gz CGMRGDHGNPGZHT-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227192142 350487388 /nfs/dbraw/zinc/48/73/88/350487388.db2.gz CGMRGDHGNPGZHT-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)SCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400654458 362963482 /nfs/dbraw/zinc/96/34/82/362963482.db2.gz QQHSSVQFMCTHLR-GHMZBOCLSA-N 2 1 216.394 1.858 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000563270978 350747014 /nfs/dbraw/zinc/74/70/14/350747014.db2.gz ICHKUDKEISINAV-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)O1 ZINC000251898936 362981353 /nfs/dbraw/zinc/98/13/53/362981353.db2.gz SJLGAHGNYGNTEG-QCNOEVLYSA-N 2 1 212.337 1.223 20 0 BDADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623561177 362986297 /nfs/dbraw/zinc/98/62/97/362986297.db2.gz DLYQDVFTPFQZBS-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](CC)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000343503427 350973223 /nfs/dbraw/zinc/97/32/23/350973223.db2.gz FQFDIAVGBBKLAP-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000216244299 351040509 /nfs/dbraw/zinc/04/05/09/351040509.db2.gz DFKKZGFUPXDPTR-PSASIEDQSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000216244299 351040511 /nfs/dbraw/zinc/04/05/11/351040511.db2.gz DFKKZGFUPXDPTR-PSASIEDQSA-N 2 1 225.361 1.763 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(F)(F)F ZINC000063100439 351140424 /nfs/dbraw/zinc/14/04/24/351140424.db2.gz FHGMCPAUAMWOLK-JGVFFNPUSA-N 2 1 210.243 1.750 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(F)(F)F ZINC000063100439 351140426 /nfs/dbraw/zinc/14/04/26/351140426.db2.gz FHGMCPAUAMWOLK-JGVFFNPUSA-N 2 1 210.243 1.750 20 0 BDADMP C[C@H](O)C1([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000628351370 351313530 /nfs/dbraw/zinc/31/35/30/351313530.db2.gz CSYNVZDVLOOOEC-QWRGUYRKSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H](O)C1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000628351370 351313533 /nfs/dbraw/zinc/31/35/33/351313533.db2.gz CSYNVZDVLOOOEC-QWRGUYRKSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252715728 538100718 /nfs/dbraw/zinc/10/07/18/538100718.db2.gz WNXPUIUVPOEQGQ-WYUUTHIRSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252715728 538100719 /nfs/dbraw/zinc/10/07/19/538100719.db2.gz WNXPUIUVPOEQGQ-WYUUTHIRSA-N 2 1 214.353 1.076 20 0 BDADMP C[N@@H+](CCC[C@@H]1CCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930629 351807143 /nfs/dbraw/zinc/80/71/43/351807143.db2.gz QKRGUOSASIKLBA-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCC[C@@H]1CCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930629 351807144 /nfs/dbraw/zinc/80/71/44/351807144.db2.gz QKRGUOSASIKLBA-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCC[C@@H]1CCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930629 351807146 /nfs/dbraw/zinc/80/71/46/351807146.db2.gz QKRGUOSASIKLBA-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCC[C@H]1CCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930627 351807231 /nfs/dbraw/zinc/80/72/31/351807231.db2.gz QKRGUOSASIKLBA-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCC[C@H]1CCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930627 351807233 /nfs/dbraw/zinc/80/72/33/351807233.db2.gz QKRGUOSASIKLBA-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCC[C@H]1CCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930627 351807235 /nfs/dbraw/zinc/80/72/35/351807235.db2.gz QKRGUOSASIKLBA-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638077939 351951351 /nfs/dbraw/zinc/95/13/51/351951351.db2.gz YORPZGQNJUCWHN-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000638131962 352001841 /nfs/dbraw/zinc/00/18/41/352001841.db2.gz FFLARHYDPZMPPC-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000638131962 352001844 /nfs/dbraw/zinc/00/18/44/352001844.db2.gz FFLARHYDPZMPPC-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000638131962 352001848 /nfs/dbraw/zinc/00/18/48/352001848.db2.gz FFLARHYDPZMPPC-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638131962 352001849 /nfs/dbraw/zinc/00/18/49/352001849.db2.gz FFLARHYDPZMPPC-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638131962 352001852 /nfs/dbraw/zinc/00/18/52/352001852.db2.gz FFLARHYDPZMPPC-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638280387 352116502 /nfs/dbraw/zinc/11/65/02/352116502.db2.gz FCQAYJLLNHYZTG-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+]1CCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638280387 352116505 /nfs/dbraw/zinc/11/65/05/352116505.db2.gz FCQAYJLLNHYZTG-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)Cn2cccn2)CC1 ZINC000037154804 358468874 /nfs/dbraw/zinc/46/88/74/358468874.db2.gz AZNJFYSSBBEBFR-GFCCVEGCSA-N 2 1 236.363 1.346 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH2+]CC ZINC000638439447 352249171 /nfs/dbraw/zinc/24/91/71/352249171.db2.gz STJOHYQBQGBRQE-LLVKDONJSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000638589098 352420155 /nfs/dbraw/zinc/42/01/55/352420155.db2.gz RDAIAHNSURRVBQ-AXFHLTTASA-N 2 1 232.318 1.962 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638588778 352420238 /nfs/dbraw/zinc/42/02/38/352420238.db2.gz NNDMZKJBMHYNQB-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000300369265 352561004 /nfs/dbraw/zinc/56/10/04/352561004.db2.gz WKRKIFXPUPCWMC-RYUDHWBXSA-N 2 1 225.380 1.330 20 0 BDADMP CCN(CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000300369265 352561007 /nfs/dbraw/zinc/56/10/07/352561007.db2.gz WKRKIFXPUPCWMC-RYUDHWBXSA-N 2 1 225.380 1.330 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000300368875 352561120 /nfs/dbraw/zinc/56/11/20/352561120.db2.gz UZZOZJXRNHKHMM-XQQFMLRXSA-N 2 1 227.396 1.576 20 0 BDADMP CC[C@H](C)N(C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000300368875 352561122 /nfs/dbraw/zinc/56/11/22/352561122.db2.gz UZZOZJXRNHKHMM-XQQFMLRXSA-N 2 1 227.396 1.576 20 0 BDADMP CCCc1noc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000044513528 352654056 /nfs/dbraw/zinc/65/40/56/352654056.db2.gz HQVXASPCPZHQEF-UHFFFAOYSA-N 2 1 238.335 1.193 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000412048490 191243647 /nfs/dbraw/zinc/24/36/47/191243647.db2.gz UVPJCSAURYOSLJ-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000412048490 191243650 /nfs/dbraw/zinc/24/36/50/191243650.db2.gz UVPJCSAURYOSLJ-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC(C)(C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000412048490 191243651 /nfs/dbraw/zinc/24/36/51/191243651.db2.gz UVPJCSAURYOSLJ-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC(C)(C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000412048490 191243654 /nfs/dbraw/zinc/24/36/54/191243654.db2.gz UVPJCSAURYOSLJ-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)[C@@H](C)C1 ZINC000342811194 352862024 /nfs/dbraw/zinc/86/20/24/352862024.db2.gz CSIZWIJSCIGFBM-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000343034563 352941892 /nfs/dbraw/zinc/94/18/92/352941892.db2.gz NTKPLJQOETZULN-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)(O)C[NH+]1CCC([NH2+]C2(C)CCC2)CC1 ZINC000638895462 353056679 /nfs/dbraw/zinc/05/66/79/353056679.db2.gz TURSANRQZFKYDD-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP CC(C)[C@H](C[NH2+][C@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000310349926 188001573 /nfs/dbraw/zinc/00/15/73/188001573.db2.gz GVZMQFJWDZTELR-KGLIPLIRSA-N 3 1 241.423 1.824 20 0 BDADMP C([NH2+]C[C@H]1CCCOC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000111319960 188006806 /nfs/dbraw/zinc/00/68/06/188006806.db2.gz CUKDYYXYEAOMDQ-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CC1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334867935 188009212 /nfs/dbraw/zinc/00/92/12/188009212.db2.gz GCUOVKSPYUMVSQ-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP C([C@H]1CC[N@H+](C[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000336722205 188012846 /nfs/dbraw/zinc/01/28/46/188012846.db2.gz ZTTVDCFPLLNWOU-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCO)cc1 ZINC000268734816 188023342 /nfs/dbraw/zinc/02/33/42/188023342.db2.gz NOFZDISKBLTSQU-NSHDSACASA-N 2 1 245.326 1.824 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000283960235 188033853 /nfs/dbraw/zinc/03/38/53/188033853.db2.gz LMSHRAAUMSUHJD-GFCCVEGCSA-N 2 1 225.336 1.222 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](CNCc2ncc[nH]2)C1 ZINC000066593989 188050963 /nfs/dbraw/zinc/05/09/63/188050963.db2.gz DGKMXNKPJLQKQI-LBPRGKRZSA-N 2 1 236.363 1.620 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000011891317 188058433 /nfs/dbraw/zinc/05/84/33/188058433.db2.gz KEXJSQLYGNSPTM-GFCCVEGCSA-N 2 1 220.316 1.476 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000134542662 538113022 /nfs/dbraw/zinc/11/30/22/538113022.db2.gz QXIGSJPPNRRUSK-VIFPVBQESA-N 2 1 210.325 1.320 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)CCCCO)CC1 ZINC000336771198 353305322 /nfs/dbraw/zinc/30/53/22/353305322.db2.gz UGTJYVWGJXBRSR-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP Cc1ccc(CC[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000639049165 353347752 /nfs/dbraw/zinc/34/77/52/353347752.db2.gz JJCDNOCQQAKMDU-HNNXBMFYSA-N 2 1 248.370 1.194 20 0 BDADMP Cc1ccc(CC[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000639049165 353347755 /nfs/dbraw/zinc/34/77/55/353347755.db2.gz JJCDNOCQQAKMDU-HNNXBMFYSA-N 2 1 248.370 1.194 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000132241499 353378515 /nfs/dbraw/zinc/37/85/15/353378515.db2.gz ZOQDWSGIKGEULQ-ZJUUUORDSA-N 2 1 200.326 1.094 20 0 BDADMP Cc1ncsc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282159 538116050 /nfs/dbraw/zinc/11/60/50/538116050.db2.gz YSPRCYFNHKWDPX-UWVGGRQHSA-N 2 1 223.345 1.103 20 0 BDADMP CO[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000230314933 353486051 /nfs/dbraw/zinc/48/60/51/353486051.db2.gz OTUINOLSYIESRG-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+](Cc1ccccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000094918314 353518192 /nfs/dbraw/zinc/51/81/92/353518192.db2.gz PPCIVLRFAJXQPB-AWEZNQCLSA-N 2 1 233.359 1.903 20 0 BDADMP CC[N@@H+](Cc1ccccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000094918314 353518194 /nfs/dbraw/zinc/51/81/94/353518194.db2.gz PPCIVLRFAJXQPB-AWEZNQCLSA-N 2 1 233.359 1.903 20 0 BDADMP Cc1c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cnn1C ZINC000231458308 353611824 /nfs/dbraw/zinc/61/18/24/353611824.db2.gz XYJAMVARCCAXBM-CYBMUJFWSA-N 2 1 236.363 1.302 20 0 BDADMP Cc1c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cnn1C ZINC000231458308 353611826 /nfs/dbraw/zinc/61/18/26/353611826.db2.gz XYJAMVARCCAXBM-CYBMUJFWSA-N 2 1 236.363 1.302 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000119996508 353690824 /nfs/dbraw/zinc/69/08/24/353690824.db2.gz JUSIIVSPKBVNDH-ZDUSSCGKSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]1C[N@@H+](CCCn2ccnc2)C[C@H]1C ZINC000343324204 353705430 /nfs/dbraw/zinc/70/54/30/353705430.db2.gz WFARLGIGNBEQPL-TXEJJXNPSA-N 2 1 207.321 1.861 20 0 BDADMP C[C@H]1[N@@H+](CCCn2ccnc2)CCOC1(C)C ZINC000343324303 353705443 /nfs/dbraw/zinc/70/54/43/353705443.db2.gz WUBRCMUYZKYOQS-GFCCVEGCSA-N 2 1 237.347 1.773 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCC[C@@H]3CCO3)C[C@@H]2C1 ZINC000639113708 353707752 /nfs/dbraw/zinc/70/77/52/353707752.db2.gz SHRIOLSZTHUPQZ-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCC[C@@H]3CCO3)C[C@@H]2C1 ZINC000639113708 353707754 /nfs/dbraw/zinc/70/77/54/353707754.db2.gz SHRIOLSZTHUPQZ-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCC[C@@H]3CCO3)C[C@@H]2C1 ZINC000639113708 353707756 /nfs/dbraw/zinc/70/77/56/353707756.db2.gz SHRIOLSZTHUPQZ-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP CC[C@@](C)(C[N@@H+](C)CCC[NH+](C)C)OC ZINC000639167696 354038702 /nfs/dbraw/zinc/03/87/02/354038702.db2.gz JPVZIHWOBDWIBR-LBPRGKRZSA-N 2 1 216.369 1.685 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@H]2CCC[C@H]21 ZINC000343980370 354058109 /nfs/dbraw/zinc/05/81/09/354058109.db2.gz IXZCQJASWFEMET-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529545368 324335025 /nfs/dbraw/zinc/33/50/25/324335025.db2.gz VSHTZRKIGMSZEO-KOLCDFICSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529545368 324335029 /nfs/dbraw/zinc/33/50/29/324335029.db2.gz VSHTZRKIGMSZEO-KOLCDFICSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H]1C[C@@H](CO)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000344137929 354151798 /nfs/dbraw/zinc/15/17/98/354151798.db2.gz KADOROJGTGXWLV-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@@H](CO)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000344137929 354151801 /nfs/dbraw/zinc/15/18/01/354151801.db2.gz KADOROJGTGXWLV-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@@H](CO)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000344137929 354151804 /nfs/dbraw/zinc/15/18/04/354151804.db2.gz KADOROJGTGXWLV-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000577960583 366145362 /nfs/dbraw/zinc/14/53/62/366145362.db2.gz MHCVXRKLEAIUSW-JHJVBQTASA-N 3 1 225.380 1.188 20 0 BDADMP COC(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383608620 354380714 /nfs/dbraw/zinc/38/07/14/354380714.db2.gz SAWIDZSKDQUSFW-AAEUAGOBSA-N 2 1 240.347 1.000 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000344772164 354359696 /nfs/dbraw/zinc/35/96/96/354359696.db2.gz MMWWIBIADFUOHD-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000344772164 354359699 /nfs/dbraw/zinc/35/96/99/354359699.db2.gz MMWWIBIADFUOHD-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344772164 354359702 /nfs/dbraw/zinc/35/97/02/354359702.db2.gz MMWWIBIADFUOHD-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CC(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504406 354601206 /nfs/dbraw/zinc/60/12/06/354601206.db2.gz UOMCUXZXBHVKEZ-LBPRGKRZSA-N 2 1 243.395 1.031 20 0 BDADMP CC(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504406 354601209 /nfs/dbraw/zinc/60/12/09/354601209.db2.gz UOMCUXZXBHVKEZ-LBPRGKRZSA-N 2 1 243.395 1.031 20 0 BDADMP CC(C)COCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000232640044 363378100 /nfs/dbraw/zinc/37/81/00/363378100.db2.gz UONYYSYDLMTWCK-LBPRGKRZSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)COCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000232640044 363378101 /nfs/dbraw/zinc/37/81/01/363378101.db2.gz UONYYSYDLMTWCK-LBPRGKRZSA-N 2 1 214.353 1.328 20 0 BDADMP CCCCOCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232987628 363390915 /nfs/dbraw/zinc/39/09/15/363390915.db2.gz VAAFPPUHHRWUOK-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP COCCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000234705924 363427799 /nfs/dbraw/zinc/42/77/99/363427799.db2.gz GZKRPEKVACQBNZ-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218659 324535459 /nfs/dbraw/zinc/53/54/59/324535459.db2.gz JHCAQSLRRITZKR-MNOVXSKESA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+]1C ZINC000335218940 355058003 /nfs/dbraw/zinc/05/80/03/355058003.db2.gz RLWNHFLSUAENOE-ABXWRUBCSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@H+]1C ZINC000335218940 355058006 /nfs/dbraw/zinc/05/80/06/355058006.db2.gz RLWNHFLSUAENOE-ABXWRUBCSA-N 3 1 239.407 1.576 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000335219723 355059447 /nfs/dbraw/zinc/05/94/47/355059447.db2.gz NDZMZHRKBCYIOK-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2Cc3cccc(O)c3C2)CC1 ZINC000335234860 355095990 /nfs/dbraw/zinc/09/59/90/355095990.db2.gz BIPXAXPPWAXXKN-ZDUSSCGKSA-N 2 1 246.354 1.543 20 0 BDADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000346891049 355145431 /nfs/dbraw/zinc/14/54/31/355145431.db2.gz VWPBGUGLHCPDEL-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP COCCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113511985 355248100 /nfs/dbraw/zinc/24/81/00/355248100.db2.gz UREUXIHCVBVCHJ-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@H]1C[N@@H+](C)CCN1c1cc(NC2CC2)ncn1 ZINC000413145442 191359235 /nfs/dbraw/zinc/35/92/35/191359235.db2.gz ZVEAGIGRUDFDSG-JTQLQIEISA-N 2 1 247.346 1.191 20 0 BDADMP C[C@H]1CN(C)CCN1c1cc(NC2CC2)ncn1 ZINC000413145442 191359238 /nfs/dbraw/zinc/35/92/38/191359238.db2.gz ZVEAGIGRUDFDSG-JTQLQIEISA-N 2 1 247.346 1.191 20 0 BDADMP COCCCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000412970948 191345595 /nfs/dbraw/zinc/34/55/95/191345595.db2.gz IXNZVBNDSNTULI-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP COCCCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000412970948 191345597 /nfs/dbraw/zinc/34/55/97/191345597.db2.gz IXNZVBNDSNTULI-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP COCCCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000412970948 191345598 /nfs/dbraw/zinc/34/55/98/191345598.db2.gz IXNZVBNDSNTULI-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000639245359 355266755 /nfs/dbraw/zinc/26/67/55/355266755.db2.gz WTHXWBHLALNPRC-QWHCGFSZSA-N 2 1 248.374 1.400 20 0 BDADMP CC[NH+](CC)CCCN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000347664105 355255084 /nfs/dbraw/zinc/25/50/84/355255084.db2.gz OUUBWNIOEFUOPT-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000414196826 191458972 /nfs/dbraw/zinc/45/89/72/191458972.db2.gz WDYXFFHACJEEEC-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP CCOCC(C)(C)[NH2+]CCCc1c[nH+]cn1C ZINC000314678463 355364050 /nfs/dbraw/zinc/36/40/50/355364050.db2.gz JYFVJMMOOYNIRR-UHFFFAOYSA-N 2 1 239.363 1.757 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2nccs2)CC1 ZINC000350143782 355614539 /nfs/dbraw/zinc/61/45/39/355614539.db2.gz BBCBERPLHOYJQP-UHFFFAOYSA-N 2 1 239.388 1.917 20 0 BDADMP CO[C@H](C[N@@H+](C)CC1CN(C)C1)C1CCCC1 ZINC000639310615 355664000 /nfs/dbraw/zinc/66/40/00/355664000.db2.gz UOISGVBVNGWEBD-CQSZACIVSA-N 2 1 240.391 1.685 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000353986712 355749516 /nfs/dbraw/zinc/74/95/16/355749516.db2.gz KPAVGTXIXRQNCZ-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000353986712 355749520 /nfs/dbraw/zinc/74/95/20/355749520.db2.gz KPAVGTXIXRQNCZ-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP Nc1ncc(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352540741 181209368 /nfs/dbraw/zinc/20/93/68/181209368.db2.gz OVZDBMOGGBTDKH-SECBINFHSA-N 2 1 240.376 1.259 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216026854 355798044 /nfs/dbraw/zinc/79/80/44/355798044.db2.gz ICLRNIILWSLOKQ-NWDGAFQWSA-N 2 1 234.343 1.864 20 0 BDADMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000216035430 355798909 /nfs/dbraw/zinc/79/89/09/355798909.db2.gz SQDDZDPJYZROHE-WCQYABFASA-N 2 1 234.343 1.864 20 0 BDADMP CC1(NCc2ccc(-n3ccnc3)cc2)COC1 ZINC000639382139 355927387 /nfs/dbraw/zinc/92/73/87/355927387.db2.gz NAFWYDPISLJKQB-UHFFFAOYSA-N 2 1 243.310 1.751 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000351612172 356028191 /nfs/dbraw/zinc/02/81/91/356028191.db2.gz UZMWSLPIDKDEQV-STQMWFEESA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000351612172 356028195 /nfs/dbraw/zinc/02/81/95/356028195.db2.gz UZMWSLPIDKDEQV-STQMWFEESA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000351863478 356100187 /nfs/dbraw/zinc/10/01/87/356100187.db2.gz UBWTYRIOBSURGO-UONOGXRCSA-N 2 1 247.386 1.792 20 0 BDADMP C[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCCCC1 ZINC000335917018 356160111 /nfs/dbraw/zinc/16/01/11/356160111.db2.gz DQBZQKHQDHWGTL-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP Cc1cnn(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000335917787 356163518 /nfs/dbraw/zinc/16/35/18/356163518.db2.gz MEPPXCCAGLEIRU-AWEZNQCLSA-N 2 1 248.374 1.219 20 0 BDADMP Cc1cnn(CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000335917787 356163522 /nfs/dbraw/zinc/16/35/22/356163522.db2.gz MEPPXCCAGLEIRU-AWEZNQCLSA-N 2 1 248.374 1.219 20 0 BDADMP Cc1cnn(CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000335917787 356163526 /nfs/dbraw/zinc/16/35/26/356163526.db2.gz MEPPXCCAGLEIRU-AWEZNQCLSA-N 2 1 248.374 1.219 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000335917787 356163530 /nfs/dbraw/zinc/16/35/30/356163530.db2.gz MEPPXCCAGLEIRU-AWEZNQCLSA-N 2 1 248.374 1.219 20 0 BDADMP C[C@H]([NH3+])[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000420265440 192192770 /nfs/dbraw/zinc/19/27/70/192192770.db2.gz QBKNFFVLCLSVAT-IUCAKERBSA-N 2 1 235.335 1.446 20 0 BDADMP C[NH2+]C[C@@H](C)CNc1nc(C)[nH+]c(C)c1C ZINC000420219106 192193623 /nfs/dbraw/zinc/19/36/23/192193623.db2.gz YKYNPNPXOIBMGX-MRVPVSSYSA-N 2 1 222.336 1.091 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]2CO)c(C)n1 ZINC000639475107 356265585 /nfs/dbraw/zinc/26/55/85/356265585.db2.gz LDPUUIDALNMAKX-ZDUSSCGKSA-N 2 1 234.343 1.964 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000420259868 192190289 /nfs/dbraw/zinc/19/02/89/192190289.db2.gz ZKVZJEWMSDCKEK-GXSJLCMTSA-N 2 1 249.314 1.184 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000420291406 192203773 /nfs/dbraw/zinc/20/37/73/192203773.db2.gz KKZZKZYJTKNWOP-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420297379 192204970 /nfs/dbraw/zinc/20/49/70/192204970.db2.gz YTFLFECHPQJPOR-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420297379 192204972 /nfs/dbraw/zinc/20/49/72/192204972.db2.gz YTFLFECHPQJPOR-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@@H+](CCCO)CC[C@H]1CCC[NH2+]C1 ZINC000420299228 192205242 /nfs/dbraw/zinc/20/52/42/192205242.db2.gz IKUDYMOLJFLQLM-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420272915 192197607 /nfs/dbraw/zinc/19/76/07/192197607.db2.gz MSSWYIPCAAEYPV-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420272915 192197609 /nfs/dbraw/zinc/19/76/09/192197609.db2.gz MSSWYIPCAAEYPV-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000639488501 356305171 /nfs/dbraw/zinc/30/51/71/356305171.db2.gz IRYRKECHTPVNMX-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000420288587 192201190 /nfs/dbraw/zinc/20/11/90/192201190.db2.gz JINFUQCIUYNNCE-LBPRGKRZSA-N 2 1 228.336 1.045 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420289666 192202254 /nfs/dbraw/zinc/20/22/54/192202254.db2.gz KPWIEKHIXHZSIF-KGLIPLIRSA-N 3 1 241.423 1.778 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420289666 192202256 /nfs/dbraw/zinc/20/22/56/192202256.db2.gz KPWIEKHIXHZSIF-KGLIPLIRSA-N 3 1 241.423 1.778 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)n1 ZINC000420300252 192207264 /nfs/dbraw/zinc/20/72/64/192207264.db2.gz CFCJNBKKKVLZAI-KKUMJFAQSA-N 2 1 245.370 1.868 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295646 192202944 /nfs/dbraw/zinc/20/29/44/192202944.db2.gz VVRVTZAUYHREIJ-MJBXVCDLSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340608 192216322 /nfs/dbraw/zinc/21/63/22/192216322.db2.gz MVURAPPUBVWRMQ-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)n1 ZINC000420300256 192208038 /nfs/dbraw/zinc/20/80/38/192208038.db2.gz CFCJNBKKKVLZAI-RRFJBIMHSA-N 2 1 245.370 1.868 20 0 BDADMP CCOC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420307015 192209101 /nfs/dbraw/zinc/20/91/01/192209101.db2.gz LPRRYAAFLZCDOO-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420306998 192209272 /nfs/dbraw/zinc/20/92/72/192209272.db2.gz LOQWOKNKEHXERE-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP CC(C)(C)C[N@@H+](CCCO)CC[C@H]1CC[NH2+]C1 ZINC000420306620 192209545 /nfs/dbraw/zinc/20/95/45/192209545.db2.gz QOMVPFHKHXTKKN-CYBMUJFWSA-N 2 1 242.407 1.717 20 0 BDADMP CCN1C[C@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000420366399 192226014 /nfs/dbraw/zinc/22/60/14/192226014.db2.gz ULPIZEQUXZINPV-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP CCOCCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420369961 192227163 /nfs/dbraw/zinc/22/71/63/192227163.db2.gz VMRLRVLHHHZFHW-JTQLQIEISA-N 2 1 202.342 1.376 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420371105 192227273 /nfs/dbraw/zinc/22/72/73/192227273.db2.gz ZMJZBMRIZOIJJV-NWDGAFQWSA-N 2 1 242.363 1.117 20 0 BDADMP C(C[N@H+]1CCOC[C@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420370266 192227665 /nfs/dbraw/zinc/22/76/65/192227665.db2.gz YVVOSYSSFMQHAY-AAEUAGOBSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420372230 192228959 /nfs/dbraw/zinc/22/89/59/192228959.db2.gz QBPRNGVKBLSEFY-AAVRWANBSA-N 3 1 239.407 1.352 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCc2ccsc2C1 ZINC000420355283 192219588 /nfs/dbraw/zinc/21/95/88/192219588.db2.gz FDYRJCBOQDDFOR-UHFFFAOYSA-N 2 1 210.346 1.716 20 0 BDADMP C[NH2+]CCC[N@H+]1CCc2ccsc2C1 ZINC000420355283 192219589 /nfs/dbraw/zinc/21/95/89/192219589.db2.gz FDYRJCBOQDDFOR-UHFFFAOYSA-N 2 1 210.346 1.716 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1[NH3+] ZINC000420357591 192219751 /nfs/dbraw/zinc/21/97/51/192219751.db2.gz DNJGCKDSVOOIDV-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CCC[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420355725 192220350 /nfs/dbraw/zinc/22/03/50/192220350.db2.gz FQQUDZPKYAMPKE-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CCCCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420355695 192220734 /nfs/dbraw/zinc/22/07/34/192220734.db2.gz CFTGXWRRVLCKDS-JHJVBQTASA-N 2 1 228.380 1.779 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCOC1)C1CCCCC1 ZINC000420364322 192224224 /nfs/dbraw/zinc/22/42/24/192224224.db2.gz KHCFUTUCMSYLRH-DGCLKSJQSA-N 2 1 226.364 1.520 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1ccccc1OC ZINC000420369354 192225573 /nfs/dbraw/zinc/22/55/73/192225573.db2.gz IRSMYZAKOSQOFB-LLVKDONJSA-N 2 1 222.332 1.955 20 0 BDADMP COCC[C@H]1CCCC[N@@H+](C[C@@H](C)N)C1 ZINC000420368230 192225635 /nfs/dbraw/zinc/22/56/35/192225635.db2.gz HSUGVELHUIAPBK-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@H]([NH3+])CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420383709 192234523 /nfs/dbraw/zinc/23/45/23/192234523.db2.gz ZWBWSHZWZBUKBO-SGMGOOAPSA-N 2 1 237.391 1.282 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000420381530 192235523 /nfs/dbraw/zinc/23/55/23/192235523.db2.gz XOFOWPBQRCQZKE-WFASDCNBSA-N 2 1 248.370 1.920 20 0 BDADMP CCC(C)(C)CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420393777 192236972 /nfs/dbraw/zinc/23/69/72/192236972.db2.gz RAXJMBHZKYFKMW-GFCCVEGCSA-N 2 1 228.380 1.862 20 0 BDADMP FCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420409948 192239920 /nfs/dbraw/zinc/23/99/20/192239920.db2.gz XRTGPZVEICGTFY-NWDGAFQWSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420413212 192240595 /nfs/dbraw/zinc/24/05/95/192240595.db2.gz SUWUCASPQRCLGQ-MGPQQGTHSA-N 2 1 239.407 1.293 20 0 BDADMP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H](C)[NH3+])C1 ZINC000420377199 192231095 /nfs/dbraw/zinc/23/10/95/192231095.db2.gz RXNKUIKHRVHYOV-WCQYABFASA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000420377199 192231096 /nfs/dbraw/zinc/23/10/96/192231096.db2.gz RXNKUIKHRVHYOV-WCQYABFASA-N 2 1 242.363 1.245 20 0 BDADMP CC[N@@H+]1CCN(CCCn2ccnc2)[C@@H](C)C1 ZINC000352702674 356404771 /nfs/dbraw/zinc/40/47/71/356404771.db2.gz XYGKHEIXXQNUDX-ZDUSSCGKSA-N 2 1 236.363 1.299 20 0 BDADMP CC[N@H+]1CCN(CCCn2ccnc2)[C@@H](C)C1 ZINC000352702674 356404774 /nfs/dbraw/zinc/40/47/74/356404774.db2.gz XYGKHEIXXQNUDX-ZDUSSCGKSA-N 2 1 236.363 1.299 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420380666 192233336 /nfs/dbraw/zinc/23/33/36/192233336.db2.gz YNECDMJKUGVTSC-RWMBFGLXSA-N 2 1 228.380 1.778 20 0 BDADMP COCCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420379610 192233356 /nfs/dbraw/zinc/23/33/56/192233356.db2.gz XSVXMIBCSHFCMQ-ZDUSSCGKSA-N 2 1 228.380 1.910 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420378405 192233828 /nfs/dbraw/zinc/23/38/28/192233828.db2.gz UBWANCZCPXKLTB-STQMWFEESA-N 2 1 248.374 1.936 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414919681 491092286 /nfs/dbraw/zinc/09/22/86/491092286.db2.gz VPWKJCBPRMMNBW-NDBYEHHHSA-N 3 1 225.380 1.377 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000389634210 356496805 /nfs/dbraw/zinc/49/68/05/356496805.db2.gz NKNUBGPDGPYPOZ-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C ZINC000389634210 356496809 /nfs/dbraw/zinc/49/68/09/356496809.db2.gz NKNUBGPDGPYPOZ-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C ZINC000389634210 356496816 /nfs/dbraw/zinc/49/68/16/356496816.db2.gz NKNUBGPDGPYPOZ-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000389634210 356496817 /nfs/dbraw/zinc/49/68/17/356496817.db2.gz NKNUBGPDGPYPOZ-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@@H](O)C1 ZINC000420967940 192285202 /nfs/dbraw/zinc/28/52/02/192285202.db2.gz UZIKUASOSOPVEM-BETUJISGSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1occc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000320995243 259466540 /nfs/dbraw/zinc/46/65/40/259466540.db2.gz ANFHZVDDSGTDJT-SNVBAGLBSA-N 2 1 210.321 1.875 20 0 BDADMP Cc1nccn1CCC[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000421014929 192301992 /nfs/dbraw/zinc/30/19/92/192301992.db2.gz KUTYERRIHGCYSZ-YPMHNXCESA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000421014929 192301995 /nfs/dbraw/zinc/30/19/95/192301995.db2.gz KUTYERRIHGCYSZ-YPMHNXCESA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000421014929 192301997 /nfs/dbraw/zinc/30/19/97/192301997.db2.gz KUTYERRIHGCYSZ-YPMHNXCESA-N 2 1 237.347 1.427 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000639676530 356585789 /nfs/dbraw/zinc/58/57/89/356585789.db2.gz UHGQVMRICLYMSV-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000422968852 192530934 /nfs/dbraw/zinc/53/09/34/192530934.db2.gz SGQGEYZKPITNMP-IUCAKERBSA-N 2 1 224.270 1.917 20 0 BDADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423026416 192543968 /nfs/dbraw/zinc/54/39/68/192543968.db2.gz NMLBHMZKORLMPY-LOWDOPEQSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088330012 356661896 /nfs/dbraw/zinc/66/18/96/356661896.db2.gz HVGYHZQHAJYPEQ-WCFLWFBJSA-N 2 1 217.316 1.294 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088330012 356661899 /nfs/dbraw/zinc/66/18/99/356661899.db2.gz HVGYHZQHAJYPEQ-WCFLWFBJSA-N 2 1 217.316 1.294 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088330013 356662354 /nfs/dbraw/zinc/66/23/54/356662354.db2.gz HVGYHZQHAJYPEQ-RTXFEEFZSA-N 2 1 217.316 1.294 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088330013 356662355 /nfs/dbraw/zinc/66/23/55/356662355.db2.gz HVGYHZQHAJYPEQ-RTXFEEFZSA-N 2 1 217.316 1.294 20 0 BDADMP Fc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000088287504 356654860 /nfs/dbraw/zinc/65/48/60/356654860.db2.gz BTTDIMNLLKVONV-VXGBXAGGSA-N 2 1 220.291 1.477 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)on1 ZINC000167676324 134153857 /nfs/dbraw/zinc/15/38/57/134153857.db2.gz MYGZDYOEZWMMIO-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)on1 ZINC000167676324 134153858 /nfs/dbraw/zinc/15/38/58/134153858.db2.gz MYGZDYOEZWMMIO-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP c1cn(CCC[N@H+]2CCC[C@@H]2c2cn[nH]c2)cn1 ZINC000639779252 356726369 /nfs/dbraw/zinc/72/63/69/356726369.db2.gz ZJPQLUWBYUZIIO-CYBMUJFWSA-N 2 1 245.330 1.833 20 0 BDADMP C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342057 356742888 /nfs/dbraw/zinc/74/28/88/356742888.db2.gz DGFZZEYNDZXNIW-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623342057 356742889 /nfs/dbraw/zinc/74/28/89/356742889.db2.gz DGFZZEYNDZXNIW-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342057 356742891 /nfs/dbraw/zinc/74/28/91/356742891.db2.gz DGFZZEYNDZXNIW-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000450466512 202176064 /nfs/dbraw/zinc/17/60/64/202176064.db2.gz JACQOPFKICKVFS-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450466512 202176067 /nfs/dbraw/zinc/17/60/67/202176067.db2.gz JACQOPFKICKVFS-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450466512 202176070 /nfs/dbraw/zinc/17/60/70/202176070.db2.gz JACQOPFKICKVFS-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000450466512 202176072 /nfs/dbraw/zinc/17/60/72/202176072.db2.gz JACQOPFKICKVFS-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000450466512 202176073 /nfs/dbraw/zinc/17/60/73/202176073.db2.gz JACQOPFKICKVFS-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000450462517 202171327 /nfs/dbraw/zinc/17/13/27/202171327.db2.gz HAVIEJWDPDRLDE-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000450462517 202171329 /nfs/dbraw/zinc/17/13/29/202171329.db2.gz HAVIEJWDPDRLDE-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000450462517 202171333 /nfs/dbraw/zinc/17/13/33/202171333.db2.gz HAVIEJWDPDRLDE-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423159190 192596729 /nfs/dbraw/zinc/59/67/29/192596729.db2.gz FMXWBBOJVKKYCJ-AGIUHOORSA-N 2 1 226.364 1.268 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623384635 356910204 /nfs/dbraw/zinc/91/02/04/356910204.db2.gz AQXLMMJFHSADQB-GFCCVEGCSA-N 2 1 242.407 2.000 20 0 BDADMP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223779193 357059070 /nfs/dbraw/zinc/05/90/70/357059070.db2.gz VUIWIJJROVPWOP-SDDRHHMPSA-N 2 1 246.420 1.173 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000392236355 357143614 /nfs/dbraw/zinc/14/36/14/357143614.db2.gz WLMNAMHXKIILNU-OLZOCXBDSA-N 3 1 223.364 1.108 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179903 357156554 /nfs/dbraw/zinc/15/65/54/357156554.db2.gz WXVQZLYBIHNSEN-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1C1CCSCC1 ZINC000168804609 357240543 /nfs/dbraw/zinc/24/05/43/357240543.db2.gz WYARSQZDHUENEU-JTQLQIEISA-N 2 1 200.351 1.305 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1C1CCSCC1 ZINC000168804609 357240545 /nfs/dbraw/zinc/24/05/45/357240545.db2.gz WYARSQZDHUENEU-JTQLQIEISA-N 2 1 200.351 1.305 20 0 BDADMP C[C@@H]1C[N@H+](C2CCSCC2)C[C@H]1[NH3+] ZINC000300048678 357176004 /nfs/dbraw/zinc/17/60/04/357176004.db2.gz LQBKOHAIGIWYFC-PSASIEDQSA-N 2 1 200.351 1.161 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C[C@H]1C[NH3+] ZINC000393358738 357307563 /nfs/dbraw/zinc/30/75/63/357307563.db2.gz RNTPFJANOVWFOQ-XJFOESAGSA-N 2 1 240.391 1.454 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(CC(F)F)CC[C@@H]21 ZINC000178639839 538819626 /nfs/dbraw/zinc/81/96/26/538819626.db2.gz PPOKXJKJBGUYBB-ZJUUUORDSA-N 2 1 218.291 1.668 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000393244028 357279614 /nfs/dbraw/zinc/27/96/14/357279614.db2.gz NJBCPXSWQWYFON-LPWJVIDDSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000582540555 357338775 /nfs/dbraw/zinc/33/87/75/357338775.db2.gz ZBALEWDJJIYHJR-HZSPNIEDSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000582540555 357338778 /nfs/dbraw/zinc/33/87/78/357338778.db2.gz ZBALEWDJJIYHJR-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000582540555 357338780 /nfs/dbraw/zinc/33/87/80/357338780.db2.gz ZBALEWDJJIYHJR-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000582540555 357338783 /nfs/dbraw/zinc/33/87/83/357338783.db2.gz ZBALEWDJJIYHJR-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000394864858 357384606 /nfs/dbraw/zinc/38/46/06/357384606.db2.gz SVESRHZMWHVXPQ-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000394864858 357384612 /nfs/dbraw/zinc/38/46/12/357384612.db2.gz SVESRHZMWHVXPQ-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)CC1(C)C ZINC000623408245 357404604 /nfs/dbraw/zinc/40/46/04/357404604.db2.gz OGXRKNXGAWXMSC-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP CC[NH2+]CCC[NH2+]C1CCN(C2CC2)CC1 ZINC000583138334 357499409 /nfs/dbraw/zinc/49/94/09/357499409.db2.gz YNJFILIASUHDRQ-UHFFFAOYSA-N 2 1 225.380 1.202 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397313909 357511954 /nfs/dbraw/zinc/51/19/54/357511954.db2.gz PXOQJIWPRWXAPD-LPWJVIDDSA-N 2 1 228.380 1.574 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000158294286 538855872 /nfs/dbraw/zinc/85/58/72/538855872.db2.gz ODEXWCOPGQNGQF-LBPRGKRZSA-N 2 1 221.348 1.820 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](OC)C2)CC1 ZINC000231691271 357622109 /nfs/dbraw/zinc/62/21/09/357622109.db2.gz ZVYYVTSOFLGDHS-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000233515603 357731829 /nfs/dbraw/zinc/73/18/29/357731829.db2.gz VVKUDPABUYVMNJ-PNESKVBLSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+][C@H](C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000583271280 357788771 /nfs/dbraw/zinc/78/87/71/357788771.db2.gz ZLCNOZUXAPXJLZ-MRVPVSSYSA-N 2 1 224.308 1.468 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000217416412 357907478 /nfs/dbraw/zinc/90/74/78/357907478.db2.gz WKRKIFXPUPCWMC-NEPJUHHUSA-N 2 1 225.380 1.330 20 0 BDADMP CCN(CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000217416412 357907482 /nfs/dbraw/zinc/90/74/82/357907482.db2.gz WKRKIFXPUPCWMC-NEPJUHHUSA-N 2 1 225.380 1.330 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000583812277 357959959 /nfs/dbraw/zinc/95/99/59/357959959.db2.gz ARJCNHXVVCRGCL-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000217614611 134249373 /nfs/dbraw/zinc/24/93/73/134249373.db2.gz MZCIHUVLXBCLKW-NQBHXWOUSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000217614611 134249374 /nfs/dbraw/zinc/24/93/74/134249374.db2.gz MZCIHUVLXBCLKW-NQBHXWOUSA-N 2 1 225.380 1.186 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ncccc2O)CC1 ZINC000584806408 358182767 /nfs/dbraw/zinc/18/27/67/358182767.db2.gz ANUKBUMEJVEXNZ-GFCCVEGCSA-N 2 1 249.358 1.703 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ncccc2O)CC1 ZINC000584806408 358182773 /nfs/dbraw/zinc/18/27/73/358182773.db2.gz ANUKBUMEJVEXNZ-GFCCVEGCSA-N 2 1 249.358 1.703 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450640505 202222838 /nfs/dbraw/zinc/22/28/38/202222838.db2.gz CZOQZWVJOYEDNM-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)[C@H]1CN(C[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000640141120 358232339 /nfs/dbraw/zinc/23/23/39/358232339.db2.gz YHYLBFCTECAFOD-UONOGXRCSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000640141120 358232343 /nfs/dbraw/zinc/23/23/43/358232343.db2.gz YHYLBFCTECAFOD-UONOGXRCSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000640141120 358232345 /nfs/dbraw/zinc/23/23/45/358232345.db2.gz YHYLBFCTECAFOD-UONOGXRCSA-N 2 1 239.407 1.353 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224405899 358233397 /nfs/dbraw/zinc/23/33/97/358233397.db2.gz JIHRHXSBPQNBBY-RYUDHWBXSA-N 2 1 228.405 1.671 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000040622105 358243127 /nfs/dbraw/zinc/24/31/27/358243127.db2.gz ACVDGWFKABYGEV-CYBMUJFWSA-N 2 1 233.359 1.902 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000040622105 358243131 /nfs/dbraw/zinc/24/31/31/358243131.db2.gz ACVDGWFKABYGEV-CYBMUJFWSA-N 2 1 233.359 1.902 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040622828 358243956 /nfs/dbraw/zinc/24/39/56/358243956.db2.gz BCJWAOIJATXYQK-GFCCVEGCSA-N 2 1 236.363 1.538 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622828 358243959 /nfs/dbraw/zinc/24/39/59/358243959.db2.gz BCJWAOIJATXYQK-GFCCVEGCSA-N 2 1 236.363 1.538 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000225713780 358331585 /nfs/dbraw/zinc/33/15/85/358331585.db2.gz XBBCLTDJDKWVKL-NEPJUHHUSA-N 2 1 214.353 1.330 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000226703696 358343649 /nfs/dbraw/zinc/34/36/49/358343649.db2.gz DKVITQHNNNYLDK-NEPJUHHUSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@H]([N@@H+](C)CCN1CC[NH2+]CC1)C(C)(C)C ZINC000042781575 358358304 /nfs/dbraw/zinc/35/83/04/358358304.db2.gz ZZKJSXFUOBBUST-LBPRGKRZSA-N 2 1 227.396 1.258 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623426876 358431148 /nfs/dbraw/zinc/43/11/48/358431148.db2.gz BXVNPNOZQOHANX-VXGBXAGGSA-N 2 1 228.380 1.874 20 0 BDADMP C1CC1[N@H+]1CC[C@@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000130212301 358614382 /nfs/dbraw/zinc/61/43/82/358614382.db2.gz VXWBCPPDCUIEKU-UMVBOHGHSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000130212301 358614385 /nfs/dbraw/zinc/61/43/85/358614385.db2.gz VXWBCPPDCUIEKU-UMVBOHGHSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1[NH+]1CC[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000130212301 358614386 /nfs/dbraw/zinc/61/43/86/358614386.db2.gz VXWBCPPDCUIEKU-UMVBOHGHSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000130212301 358614389 /nfs/dbraw/zinc/61/43/89/358614389.db2.gz VXWBCPPDCUIEKU-UMVBOHGHSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1N1CC[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000130212301 358614391 /nfs/dbraw/zinc/61/43/91/358614391.db2.gz VXWBCPPDCUIEKU-UMVBOHGHSA-N 2 1 249.402 1.440 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000049554349 358694375 /nfs/dbraw/zinc/69/43/75/358694375.db2.gz CKPNOMJQOTWHTH-NSHDSACASA-N 2 1 249.358 1.215 20 0 BDADMP CCCC1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000049545119 358694583 /nfs/dbraw/zinc/69/45/83/358694583.db2.gz OVSYOAMDRZHGRC-JXQTWKCFSA-N 2 1 242.407 1.857 20 0 BDADMP FCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000133289574 358749873 /nfs/dbraw/zinc/74/98/73/358749873.db2.gz FPOXFSJDVCITLK-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000133578455 358759809 /nfs/dbraw/zinc/75/98/09/358759809.db2.gz LPMGKFTVJOXSES-ZDEQEGDKSA-N 2 1 228.380 1.466 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000133671486 358762406 /nfs/dbraw/zinc/76/24/06/358762406.db2.gz MDUIJXTUAGIJLC-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP CCOC(=O)CC[N@H+](C)CCn1cc[nH+]c1C ZINC000050067249 358712516 /nfs/dbraw/zinc/71/25/16/358712516.db2.gz KMRGTHGXWMFANZ-UHFFFAOYSA-N 2 1 239.319 1.077 20 0 BDADMP CCOC(=O)CC[N@@H+](C)CCn1cc[nH+]c1C ZINC000050067249 358712517 /nfs/dbraw/zinc/71/25/17/358712517.db2.gz KMRGTHGXWMFANZ-UHFFFAOYSA-N 2 1 239.319 1.077 20 0 BDADMP CCCn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000219715211 134290335 /nfs/dbraw/zinc/29/03/35/134290335.db2.gz QYBKGFPGCGAHIR-LBPRGKRZSA-N 2 1 236.363 1.464 20 0 BDADMP COCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134903612 358810272 /nfs/dbraw/zinc/81/02/72/358810272.db2.gz JCXTUSMOVQFHGD-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP COCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134903612 358810273 /nfs/dbraw/zinc/81/02/73/358810273.db2.gz JCXTUSMOVQFHGD-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)CC[N@H+]1C ZINC000135074442 358819183 /nfs/dbraw/zinc/81/91/83/358819183.db2.gz GUOSSUQGAXQYOM-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(CCC(=O)OC)C1 ZINC000177035669 134293815 /nfs/dbraw/zinc/29/38/15/134293815.db2.gz ZJJOPFGFXGWJHK-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)OC)C1 ZINC000177035669 134293816 /nfs/dbraw/zinc/29/38/16/134293816.db2.gz ZJJOPFGFXGWJHK-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)OC)C1 ZINC000177035669 134293817 /nfs/dbraw/zinc/29/38/17/134293817.db2.gz ZJJOPFGFXGWJHK-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)OC)C1 ZINC000177035669 134293818 /nfs/dbraw/zinc/29/38/18/134293818.db2.gz ZJJOPFGFXGWJHK-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)OC)C1 ZINC000177035669 134293819 /nfs/dbraw/zinc/29/38/19/134293819.db2.gz ZJJOPFGFXGWJHK-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000219839793 134292124 /nfs/dbraw/zinc/29/21/24/134292124.db2.gz SNSQLZNZXHDZDW-NSHDSACASA-N 2 1 222.336 1.245 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000219839793 134292125 /nfs/dbraw/zinc/29/21/25/134292125.db2.gz SNSQLZNZXHDZDW-NSHDSACASA-N 2 1 222.336 1.245 20 0 BDADMP CCN1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403436 358967985 /nfs/dbraw/zinc/96/79/85/358967985.db2.gz KFHRKPBVUXIHDM-AAEUAGOBSA-N 2 1 225.380 1.330 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403436 358967987 /nfs/dbraw/zinc/96/79/87/358967987.db2.gz KFHRKPBVUXIHDM-AAEUAGOBSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000177322484 134299346 /nfs/dbraw/zinc/29/93/46/134299346.db2.gz WANFCZNGEIZNHA-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](NCCn1ccnc1)c1cnccn1 ZINC000070025515 359038598 /nfs/dbraw/zinc/03/85/98/359038598.db2.gz ILEIWKAJVCEFQF-JTQLQIEISA-N 2 1 217.276 1.024 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(O)c1 ZINC000423333633 192712740 /nfs/dbraw/zinc/71/27/40/192712740.db2.gz RZRQBPJBBUEDSX-SNVBAGLBSA-N 2 1 220.316 1.924 20 0 BDADMP COC[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000075639178 359186606 /nfs/dbraw/zinc/18/66/06/359186606.db2.gz XKTYKVFFFADOSH-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000423360268 192731536 /nfs/dbraw/zinc/73/15/36/192731536.db2.gz QIDIIXXBZGRLRC-QJPTWQEYSA-N 2 1 212.337 1.143 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2)[C@@H](C)C1 ZINC000247249742 359205119 /nfs/dbraw/zinc/20/51/19/359205119.db2.gz YUYZMELRSSWHIM-GXTWGEPZSA-N 2 1 233.359 1.902 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2)[C@@H](C)C1 ZINC000247249742 359205120 /nfs/dbraw/zinc/20/51/20/359205120.db2.gz YUYZMELRSSWHIM-GXTWGEPZSA-N 2 1 233.359 1.902 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000247314126 359211259 /nfs/dbraw/zinc/21/12/59/359211259.db2.gz RJNWOJLUENXGSN-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000247314126 359211262 /nfs/dbraw/zinc/21/12/62/359211262.db2.gz RJNWOJLUENXGSN-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000247314126 359211263 /nfs/dbraw/zinc/21/12/63/359211263.db2.gz RJNWOJLUENXGSN-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000247392386 359217751 /nfs/dbraw/zinc/21/77/51/359217751.db2.gz WANFCZNGEIZNHA-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623444949 359338299 /nfs/dbraw/zinc/33/82/99/359338299.db2.gz XRBDBLGTIBIIKP-VXGBXAGGSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623451329 359345442 /nfs/dbraw/zinc/34/54/42/359345442.db2.gz SZSHGNXFUIHFAT-RYUDHWBXSA-N 2 1 228.380 1.610 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CO)CC1(C)C ZINC000623467276 359673572 /nfs/dbraw/zinc/67/35/72/359673572.db2.gz BKECOZJGVCDRGG-LLVKDONJSA-N 2 1 228.380 1.467 20 0 BDADMP CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000045954974 359746937 /nfs/dbraw/zinc/74/69/37/359746937.db2.gz LZGXOZKSAHUQIH-LLVKDONJSA-N 2 1 234.347 1.759 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000578379529 366545707 /nfs/dbraw/zinc/54/57/07/366545707.db2.gz BQGZRHKXZGDGKB-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000578368537 366541217 /nfs/dbraw/zinc/54/12/17/366541217.db2.gz VPXBFECQYPBDJG-DGAVXFQQSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000578368537 366541222 /nfs/dbraw/zinc/54/12/22/366541222.db2.gz VPXBFECQYPBDJG-DGAVXFQQSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@@H+](C[C@H](O)CN1CCC[C@](C)(F)C1)C1CC1 ZINC000451112898 202354950 /nfs/dbraw/zinc/35/49/50/202354950.db2.gz IUXCIOWOKPGDJM-STQMWFEESA-N 2 1 244.354 1.266 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC1(C)C ZINC000623471607 359876265 /nfs/dbraw/zinc/87/62/65/359876265.db2.gz HHBUMOXYGGLKED-JHJVBQTASA-N 2 1 240.391 1.752 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000087409479 359910925 /nfs/dbraw/zinc/91/09/25/359910925.db2.gz GCCQTHBAHCJZHL-GHMZBOCLSA-N 2 1 238.379 1.719 20 0 BDADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCCCC[NH3+] ZINC000578768401 366630713 /nfs/dbraw/zinc/63/07/13/366630713.db2.gz ZCYHHGGBJWEAJX-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C[C@H](C)O1 ZINC000578723023 366631250 /nfs/dbraw/zinc/63/12/50/366631250.db2.gz WLNAHEQUKJWHOE-XCCSTKFXSA-N 2 1 240.391 1.872 20 0 BDADMP COCc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000088555199 359965599 /nfs/dbraw/zinc/96/55/99/359965599.db2.gz QLOWBMCPBAVXEX-UHFFFAOYSA-N 2 1 234.343 1.756 20 0 BDADMP CCc1cc(NC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000088760134 359977200 /nfs/dbraw/zinc/97/72/00/359977200.db2.gz UYOHJIKCCIYZRA-UHFFFAOYSA-N 2 1 234.347 1.854 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000089140141 359992894 /nfs/dbraw/zinc/99/28/94/359992894.db2.gz RLMMKGXGAVDKTE-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP CC(C)CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749408 360036802 /nfs/dbraw/zinc/03/68/02/360036802.db2.gz UNCGOKCDOYTMDH-AWEZNQCLSA-N 2 1 239.407 1.260 20 0 BDADMP C([NH2+]C1CCCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000090714942 360085311 /nfs/dbraw/zinc/08/53/11/360085311.db2.gz RXOKRQOWJSFHCE-ZIAGYGMSSA-N 2 1 238.375 1.772 20 0 BDADMP C([NH2+]C1CCCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000090714942 360085315 /nfs/dbraw/zinc/08/53/15/360085315.db2.gz RXOKRQOWJSFHCE-ZIAGYGMSSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000381036285 360536735 /nfs/dbraw/zinc/53/67/35/360536735.db2.gz FHNTUEZNTUHSHG-OLZOCXBDSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000156258763 360959532 /nfs/dbraw/zinc/95/95/32/360959532.db2.gz YYFYXFAXAUQNSB-QJPTWQEYSA-N 2 1 213.369 1.009 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000309645119 491153496 /nfs/dbraw/zinc/15/34/96/491153496.db2.gz MANAALCZXJUCQO-ZDUSSCGKSA-N 2 1 226.364 1.221 20 0 BDADMP CCO[C@H](C[N@@H+]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000629507460 361105804 /nfs/dbraw/zinc/10/58/04/361105804.db2.gz FNSFTQOWMMAWDW-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@H](C[N@H+]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000629507460 361105806 /nfs/dbraw/zinc/10/58/06/361105806.db2.gz FNSFTQOWMMAWDW-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])CO2 ZINC000629515934 361109663 /nfs/dbraw/zinc/10/96/63/361109663.db2.gz YOPYWDQCAHZVHD-IACUBPJLSA-N 2 1 246.354 1.768 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCC[C@@H]1C[NH2+]C)C1CC1 ZINC000629513977 361110923 /nfs/dbraw/zinc/11/09/23/361110923.db2.gz NPZOZGRCGVNQFU-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@@H]1C[NH2+]C)C1CC1 ZINC000629513977 361110927 /nfs/dbraw/zinc/11/09/27/361110927.db2.gz NPZOZGRCGVNQFU-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCOC1CCOCC1)CC(C)(C)C[NH3+] ZINC000629515177 361112580 /nfs/dbraw/zinc/11/25/80/361112580.db2.gz ZYORSJCNXKKNAZ-UHFFFAOYSA-N 2 1 244.379 1.099 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccncc1 ZINC000629522824 361123372 /nfs/dbraw/zinc/12/33/72/361123372.db2.gz CETPFMIBLXJPPF-NSHDSACASA-N 2 1 235.331 1.240 20 0 BDADMP CCSCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000158584196 361205321 /nfs/dbraw/zinc/20/53/21/361205321.db2.gz RFBRKHBRDRNICZ-UHFFFAOYSA-N 2 1 204.383 1.656 20 0 BDADMP C[C@H]1SCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000158589802 361205571 /nfs/dbraw/zinc/20/55/71/361205571.db2.gz KLYSPFIISZCWLJ-GHMZBOCLSA-N 2 1 228.405 1.812 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CC1 ZINC000629539306 361405070 /nfs/dbraw/zinc/40/50/70/361405070.db2.gz ZXRKFYAJBFMZCO-HBJVGIJOSA-N 2 1 240.391 1.778 20 0 BDADMP CCC[C@@H](C)CCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000629539179 361405113 /nfs/dbraw/zinc/40/51/13/361405113.db2.gz VPESFBSPBNNEGB-NEPJUHHUSA-N 2 1 216.369 1.454 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629536511 361398470 /nfs/dbraw/zinc/39/84/70/361398470.db2.gz GOJMAODWALUSOB-UPJWGTAASA-N 2 1 228.380 1.778 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309864583 491157665 /nfs/dbraw/zinc/15/76/65/491157665.db2.gz NYAWYFZFCLBZAK-CHWSQXEVSA-N 2 1 219.332 1.970 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535862 361411306 /nfs/dbraw/zinc/41/13/06/361411306.db2.gz DHZNECDGRHYESE-GRYCIOLGSA-N 2 1 213.369 1.234 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000353495081 366789091 /nfs/dbraw/zinc/78/90/91/366789091.db2.gz MFCZBXXLDFHJDM-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CO)C2CCCC2)CC1 ZINC000353495082 366789818 /nfs/dbraw/zinc/78/98/18/366789818.db2.gz MFCZBXXLDFHJDM-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000629545822 361426527 /nfs/dbraw/zinc/42/65/27/361426527.db2.gz CTINFGMDYXOXRH-AHLTXXRQSA-N 2 1 238.375 1.674 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCCC1 ZINC000629546850 361428749 /nfs/dbraw/zinc/42/87/49/361428749.db2.gz XZHYQMPLLSVEFU-CYZMBNFOSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000629546835 361429756 /nfs/dbraw/zinc/42/97/56/361429756.db2.gz XWYFIPVAZWRIED-YYHQMBLXSA-N 2 1 238.375 1.530 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000629547797 361431466 /nfs/dbraw/zinc/43/14/66/361431466.db2.gz UTXCRTYFJALCDB-MRTXSQPYSA-N 2 1 237.391 1.199 20 0 BDADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000629553312 361439026 /nfs/dbraw/zinc/43/90/26/361439026.db2.gz VXBJFTLAGKJSHR-YNEHKIRRSA-N 2 1 248.374 1.398 20 0 BDADMP CC1(C)CC(C[N@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000629551978 361444232 /nfs/dbraw/zinc/44/42/32/361444232.db2.gz ZAWLUIPHBOQADN-UHFFFAOYSA-N 2 1 208.349 1.846 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629542609 361419650 /nfs/dbraw/zinc/41/96/50/361419650.db2.gz GZCXZGAYQOGEGZ-WUHRBBMRSA-N 2 1 226.364 1.674 20 0 BDADMP CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564493 361459412 /nfs/dbraw/zinc/45/94/12/361459412.db2.gz LNBAQWNDAKEFFC-RKDXNWHRSA-N 2 1 224.270 1.856 20 0 BDADMP COCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566529 361457813 /nfs/dbraw/zinc/45/78/13/361457813.db2.gz ZLTQZNVXWUANCO-DTWKUNHWSA-N 2 1 240.269 1.092 20 0 BDADMP COCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566529 361457817 /nfs/dbraw/zinc/45/78/17/361457817.db2.gz ZLTQZNVXWUANCO-DTWKUNHWSA-N 2 1 240.269 1.092 20 0 BDADMP [NH3+]C1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000629651534 361557568 /nfs/dbraw/zinc/55/75/68/361557568.db2.gz JATLXAWPZGCFEZ-UHFFFAOYSA-N 2 1 244.338 1.886 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccn(C)c1 ZINC000629646814 361535485 /nfs/dbraw/zinc/53/54/85/361535485.db2.gz FKIVJTRKMXXCJF-PWSUYJOCSA-N 2 1 207.321 1.194 20 0 BDADMP COCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152413385 201197636 /nfs/dbraw/zinc/19/76/36/201197636.db2.gz XYHQBXZPDGXTBH-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP COCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152413385 201197637 /nfs/dbraw/zinc/19/76/37/201197637.db2.gz XYHQBXZPDGXTBH-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP C1=C(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)COCC1 ZINC000629655372 361560775 /nfs/dbraw/zinc/56/07/75/361560775.db2.gz VNWWMRLYDPOJMD-OLZOCXBDSA-N 2 1 222.332 1.017 20 0 BDADMP C1=C(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)COCC1 ZINC000629655372 361560780 /nfs/dbraw/zinc/56/07/80/361560780.db2.gz VNWWMRLYDPOJMD-OLZOCXBDSA-N 2 1 222.332 1.017 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccn(C)c1 ZINC000629649896 361546398 /nfs/dbraw/zinc/54/63/98/361546398.db2.gz JVWCGXHAEUFATP-ZYHUDNBSSA-N 2 1 207.321 1.337 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCC(C)(C)C ZINC000629653173 361551058 /nfs/dbraw/zinc/55/10/58/361551058.db2.gz HLIZZIAKORNJRE-UHFFFAOYSA-N 2 1 216.369 1.590 20 0 BDADMP CCC[C@@H](C)C[N@@H+](C)CCOCC[NH2+]C ZINC000629654290 361554635 /nfs/dbraw/zinc/55/46/35/361554635.db2.gz PCICPQSGCKBAAU-GFCCVEGCSA-N 2 1 216.369 1.590 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629668187 361588362 /nfs/dbraw/zinc/58/83/62/361588362.db2.gz RYVXFJPQTVFZEV-OKILXGFUSA-N 2 1 233.359 1.457 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629668187 361588368 /nfs/dbraw/zinc/58/83/68/361588368.db2.gz RYVXFJPQTVFZEV-OKILXGFUSA-N 2 1 233.359 1.457 20 0 BDADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)C1CC1 ZINC000153790065 201249301 /nfs/dbraw/zinc/24/93/01/201249301.db2.gz CLRDALRXHOINON-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@@H+](CCCCCO)CCC[NH+]1CCCCC1 ZINC000434689549 201233913 /nfs/dbraw/zinc/23/39/13/201233913.db2.gz BSFKKCNCJWCWQY-UHFFFAOYSA-N 2 1 242.407 1.957 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154185071 201265344 /nfs/dbraw/zinc/26/53/44/201265344.db2.gz RNDUHYKHDZTRPV-FIQHERPVSA-N 2 1 246.420 1.171 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154185071 201265346 /nfs/dbraw/zinc/26/53/46/201265346.db2.gz RNDUHYKHDZTRPV-FIQHERPVSA-N 2 1 246.420 1.171 20 0 BDADMP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000435395513 201268531 /nfs/dbraw/zinc/26/85/31/201268531.db2.gz TUTIHUOZBYKCQA-KGLIPLIRSA-N 3 1 239.407 1.450 20 0 BDADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000435395513 201268533 /nfs/dbraw/zinc/26/85/33/201268533.db2.gz TUTIHUOZBYKCQA-KGLIPLIRSA-N 3 1 239.407 1.450 20 0 BDADMP CC[N@H+](Cc1cnn(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435389116 201268583 /nfs/dbraw/zinc/26/85/83/201268583.db2.gz JBHLDBXBPICKCZ-ZDUSSCGKSA-N 2 1 236.363 1.384 20 0 BDADMP CC[N@@H+](Cc1cnn(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435389116 201268587 /nfs/dbraw/zinc/26/85/87/201268587.db2.gz JBHLDBXBPICKCZ-ZDUSSCGKSA-N 2 1 236.363 1.384 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000435868939 201291194 /nfs/dbraw/zinc/29/11/94/201291194.db2.gz HOSQNVLZYGYDJR-AWEZNQCLSA-N 2 1 236.359 1.651 20 0 BDADMP CCC[NH+]1CCC(NC[C@H]2CCC[N@H+]2C)CC1 ZINC000154505846 201281486 /nfs/dbraw/zinc/28/14/86/201281486.db2.gz FFGLPSFHCYKLOF-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000154505846 201281490 /nfs/dbraw/zinc/28/14/90/201281490.db2.gz FFGLPSFHCYKLOF-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP [NH3+]C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000094079170 181342706 /nfs/dbraw/zinc/34/27/06/181342706.db2.gz JQGWLUJHJUMXGQ-HOAMVYINSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+]C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000094079170 181342708 /nfs/dbraw/zinc/34/27/08/181342708.db2.gz JQGWLUJHJUMXGQ-HOAMVYINSA-N 3 1 237.391 1.473 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154338490 201274455 /nfs/dbraw/zinc/27/44/55/201274455.db2.gz VAFBFERLLLHSLN-AVGNSLFASA-N 2 1 230.396 1.713 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(CCC[NH2+]C)C1 ZINC000435881819 201295711 /nfs/dbraw/zinc/29/57/11/201295711.db2.gz QJXHPERSMWINQF-ZDUSSCGKSA-N 2 1 227.396 1.260 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000155964959 201378137 /nfs/dbraw/zinc/37/81/37/201378137.db2.gz QLHHBHRJUQJNRZ-AAEUAGOBSA-N 2 1 222.332 1.752 20 0 BDADMP CC[C@H](C[NH2+]CC[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000438075692 201386278 /nfs/dbraw/zinc/38/62/78/201386278.db2.gz GCYVNCGTZGGKOU-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156093835 201398457 /nfs/dbraw/zinc/39/84/57/201398457.db2.gz USLBHJZIYQYGLI-WOPDTQHZSA-N 2 1 214.353 1.341 20 0 BDADMP C[NH+](C)C1(C[NH2+]CC2(C)CCC2)CCOCC1 ZINC000434768845 541334396 /nfs/dbraw/zinc/33/43/96/541334396.db2.gz LUUJLBZORRMDJA-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000399017583 364723739 /nfs/dbraw/zinc/72/37/39/364723739.db2.gz DWKHHJXJOSIZRC-USWWRNFRSA-N 2 1 212.337 1.142 20 0 BDADMP CCc1nc(NC[C@H](C)C[NH+](C)C)cc(C)[nH+]1 ZINC000292017046 364772016 /nfs/dbraw/zinc/77/20/16/364772016.db2.gz ZYBMJRVPMFNKRM-JTQLQIEISA-N 2 1 236.363 1.957 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000580514359 364776798 /nfs/dbraw/zinc/77/67/98/364776798.db2.gz NPXYLMYZZFUHDW-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[C@H](C)NC2)CCCC1 ZINC000399072722 364780314 /nfs/dbraw/zinc/78/03/14/364780314.db2.gz OJMGZNQCWFRERR-NWDGAFQWSA-N 2 1 226.364 1.676 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCCC1 ZINC000399072722 364780318 /nfs/dbraw/zinc/78/03/18/364780318.db2.gz OJMGZNQCWFRERR-NWDGAFQWSA-N 2 1 226.364 1.676 20 0 BDADMP Cc1nc(C[NH2+]CC2=CC[N@H+](C)CC2)[nH]c1C ZINC000573505881 364850767 /nfs/dbraw/zinc/85/07/67/364850767.db2.gz GQMUSOWAVQSOGS-UHFFFAOYSA-N 2 1 234.347 1.378 20 0 BDADMP Cc1nc(C[NH2+]CC2=CC[N@@H+](C)CC2)[nH]c1C ZINC000573505881 364850776 /nfs/dbraw/zinc/85/07/76/364850776.db2.gz GQMUSOWAVQSOGS-UHFFFAOYSA-N 2 1 234.347 1.378 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCCO1 ZINC000335011689 541418912 /nfs/dbraw/zinc/41/89/12/541418912.db2.gz XDYGYCZRKIBIQC-KGLIPLIRSA-N 2 1 238.375 1.631 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C[C@@H]1C ZINC000574050129 364977424 /nfs/dbraw/zinc/97/74/24/364977424.db2.gz BVFOWPJFJQVCRD-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C[C@@H]1C ZINC000574050129 364977428 /nfs/dbraw/zinc/97/74/28/364977428.db2.gz BVFOWPJFJQVCRD-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000574050129 364977431 /nfs/dbraw/zinc/97/74/31/364977431.db2.gz BVFOWPJFJQVCRD-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000574050129 364977434 /nfs/dbraw/zinc/97/74/34/364977434.db2.gz BVFOWPJFJQVCRD-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H]([NH2+]CC1(O)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000574073451 364982625 /nfs/dbraw/zinc/98/26/25/364982625.db2.gz DLAFBZXHFDJPOZ-LBPRGKRZSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1CN(c2ccnc(N(C)C)n2)[C@@H](C)C[N@H+]1C ZINC000443502030 193021822 /nfs/dbraw/zinc/02/18/22/193021822.db2.gz QNQUOYZULFPZCW-MNOVXSKESA-N 2 1 249.362 1.071 20 0 BDADMP Cn1cccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000172627121 365358216 /nfs/dbraw/zinc/35/82/16/365358216.db2.gz LOSHCRNDCCKRPB-UHFFFAOYSA-N 2 1 247.386 1.989 20 0 BDADMP Cc1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)co1 ZINC000310131340 541465211 /nfs/dbraw/zinc/46/52/11/541465211.db2.gz ALCZNRCMAAEFKU-SECBINFHSA-N 2 1 223.320 1.542 20 0 BDADMP C=Cn1cc(CNC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000194352253 367281072 /nfs/dbraw/zinc/28/10/72/367281072.db2.gz IHPXYGSWIZPYBJ-GFCCVEGCSA-N 2 1 234.347 1.415 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000194352253 367281086 /nfs/dbraw/zinc/28/10/86/367281086.db2.gz IHPXYGSWIZPYBJ-GFCCVEGCSA-N 2 1 234.347 1.415 20 0 BDADMP C[NH+](C)C1(C[NH2+]CC2(C)CC2)CCOCC1 ZINC000381443558 367404769 /nfs/dbraw/zinc/40/47/69/367404769.db2.gz AFUSBJHNYIMUJR-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP COCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381617393 367439153 /nfs/dbraw/zinc/43/91/53/367439153.db2.gz WGKLZMFFRHOQCP-BETUJISGSA-N 2 1 226.364 1.344 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000381714345 367449793 /nfs/dbraw/zinc/44/97/93/367449793.db2.gz KUZNSFLEVBFAAE-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1ccc(CCC[N@@H+](C)CCC[NH3+])cn1 ZINC000581488610 367519217 /nfs/dbraw/zinc/51/92/17/367519217.db2.gz QIHOOEYYQVMLNC-UHFFFAOYSA-N 2 1 221.348 1.603 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000581489208 367520169 /nfs/dbraw/zinc/52/01/69/367520169.db2.gz PJBQJACLSLIDAG-XQQFMLRXSA-N 2 1 226.364 1.079 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C)CC1 ZINC000581613087 367634214 /nfs/dbraw/zinc/63/42/14/367634214.db2.gz QZUZEFKHISEELV-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000384928424 367760671 /nfs/dbraw/zinc/76/06/71/367760671.db2.gz SAUCFQCVIQKJKZ-UPJWGTAASA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H](C)O1 ZINC000385224286 367810948 /nfs/dbraw/zinc/81/09/48/367810948.db2.gz SXHNDPGLPRQNQY-POQQGIQPSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H](C)O1 ZINC000385098822 367791222 /nfs/dbraw/zinc/79/12/22/367791222.db2.gz HHWORCLBQKTIBX-XGFWRYKXSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](C)O1 ZINC000385098822 367791227 /nfs/dbraw/zinc/79/12/27/367791227.db2.gz HHWORCLBQKTIBX-XGFWRYKXSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cn[nH]c1 ZINC000581860470 367848055 /nfs/dbraw/zinc/84/80/55/367848055.db2.gz PYGBTMOWGWBCHU-WCQYABFASA-N 2 1 236.363 1.935 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cn[nH]c1 ZINC000581860470 367848060 /nfs/dbraw/zinc/84/80/60/367848060.db2.gz PYGBTMOWGWBCHU-WCQYABFASA-N 2 1 236.363 1.935 20 0 BDADMP CS[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386108312 367912572 /nfs/dbraw/zinc/91/25/72/367912572.db2.gz KZXBFHIIYSRAGN-MXWKQRLJSA-N 2 1 216.394 1.858 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386105133 367912595 /nfs/dbraw/zinc/91/25/95/367912595.db2.gz KMFHGSYAOUTHPU-GARJFASQSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@@H]([NH2+]CC1(O)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000385987448 367892627 /nfs/dbraw/zinc/89/26/27/367892627.db2.gz DPACHEKLJPULSJ-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000386016231 367898874 /nfs/dbraw/zinc/89/88/74/367898874.db2.gz NSHFXOUPHCSCBS-UPJWGTAASA-N 2 1 228.380 1.922 20 0 BDADMP CCC[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000386016230 367898986 /nfs/dbraw/zinc/89/89/86/367898986.db2.gz NSHFXOUPHCSCBS-JHJVBQTASA-N 2 1 228.380 1.922 20 0 BDADMP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000581948282 367976144 /nfs/dbraw/zinc/97/61/44/367976144.db2.gz FNJCKOPDYZZKNB-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+](CC(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000386979668 368040652 /nfs/dbraw/zinc/04/06/52/368040652.db2.gz ZHMAUBQBLJGFMI-NXEZZACHSA-N 2 1 220.307 1.962 20 0 BDADMP CC[N@@H+](CC(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000386979668 368040657 /nfs/dbraw/zinc/04/06/57/368040657.db2.gz ZHMAUBQBLJGFMI-NXEZZACHSA-N 2 1 220.307 1.962 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)C[C@H](C)OC ZINC000566425805 326044144 /nfs/dbraw/zinc/04/41/44/326044144.db2.gz YVFJFYYWWRNRSW-LBPRGKRZSA-N 2 1 239.363 1.710 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)C[C@H](C)OC ZINC000566425805 326044147 /nfs/dbraw/zinc/04/41/47/326044147.db2.gz YVFJFYYWWRNRSW-LBPRGKRZSA-N 2 1 239.363 1.710 20 0 BDADMP [NH3+]CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000037039674 368268865 /nfs/dbraw/zinc/26/88/65/368268865.db2.gz XFYPAISEZASUMJ-UHFFFAOYSA-N 2 1 239.407 1.533 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000086402318 368880171 /nfs/dbraw/zinc/88/01/71/368880171.db2.gz GEUWIUCEQLKVGE-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+][C@H]1CCC[C@@H](NCC[NH+]2CCCCC2)C1 ZINC000086403683 368880210 /nfs/dbraw/zinc/88/02/10/368880210.db2.gz JBSXVYPGKVWMEN-QWHCGFSZSA-N 2 1 225.380 1.332 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000623657229 368998180 /nfs/dbraw/zinc/99/81/80/368998180.db2.gz LSWQXAYDKFHDEC-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H](C)O1 ZINC000623657136 368998186 /nfs/dbraw/zinc/99/81/86/368998186.db2.gz KIPXFXNWIXXATD-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000623657820 368999781 /nfs/dbraw/zinc/99/97/81/368999781.db2.gz ZSFHUAOOCMESHS-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000623657820 368999783 /nfs/dbraw/zinc/99/97/83/368999783.db2.gz ZSFHUAOOCMESHS-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657772 368999829 /nfs/dbraw/zinc/99/98/29/368999829.db2.gz YRGAZRNQCVHIRL-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000631827140 368991343 /nfs/dbraw/zinc/99/13/43/368991343.db2.gz GJXGMQFSTHLEAS-UJPOAAIJSA-N 2 1 226.364 1.388 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC2)C1 ZINC000623655775 368991370 /nfs/dbraw/zinc/99/13/70/368991370.db2.gz FCVCHOGWKOABFT-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000623655870 368991434 /nfs/dbraw/zinc/99/14/34/368991434.db2.gz HUQJDWARACYUHJ-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623655870 368991438 /nfs/dbraw/zinc/99/14/38/368991438.db2.gz HUQJDWARACYUHJ-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655870 368991439 /nfs/dbraw/zinc/99/14/39/368991439.db2.gz HUQJDWARACYUHJ-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655870 368991444 /nfs/dbraw/zinc/99/14/44/368991444.db2.gz HUQJDWARACYUHJ-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655870 368991446 /nfs/dbraw/zinc/99/14/46/368991446.db2.gz HUQJDWARACYUHJ-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000623656521 368993073 /nfs/dbraw/zinc/99/30/73/368993073.db2.gz VYYKPWQGEUCRIW-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656521 368993081 /nfs/dbraw/zinc/99/30/81/368993081.db2.gz VYYKPWQGEUCRIW-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1cccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656594 368993157 /nfs/dbraw/zinc/99/31/57/368993157.db2.gz XYDFNPNPXTVMRH-ZDUSSCGKSA-N 2 1 235.375 1.847 20 0 BDADMP C[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623656178 368993373 /nfs/dbraw/zinc/99/33/73/368993373.db2.gz OQEXLSZGIQGPHZ-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CN1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623656178 368993380 /nfs/dbraw/zinc/99/33/80/368993380.db2.gz OQEXLSZGIQGPHZ-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CN1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623656178 368993384 /nfs/dbraw/zinc/99/33/84/368993384.db2.gz OQEXLSZGIQGPHZ-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC000567471894 326199776 /nfs/dbraw/zinc/19/97/76/326199776.db2.gz VMQCCWVHSBZVJZ-SBFPOUOMSA-N 2 1 226.364 1.530 20 0 BDADMP CC[NH+]1CC[C@H](NCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC000155750180 326210770 /nfs/dbraw/zinc/21/07/70/326210770.db2.gz RZQWFTWAZCDXSE-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1CC[C@H](NCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000155750180 326210773 /nfs/dbraw/zinc/21/07/73/326210773.db2.gz RZQWFTWAZCDXSE-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2(F)CC2)CC12CCOCC2 ZINC000567588628 326224158 /nfs/dbraw/zinc/22/41/58/326224158.db2.gz CXOVQRGKPAGKDC-LLVKDONJSA-N 2 1 242.338 1.176 20 0 BDADMP C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459395648 203272844 /nfs/dbraw/zinc/27/28/44/203272844.db2.gz BIOQTTJBFYCJEW-AGIUHOORSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000631840760 369311656 /nfs/dbraw/zinc/31/16/56/369311656.db2.gz VGJMSUJULZLNQX-ZYHUDNBSSA-N 2 1 205.305 1.108 20 0 BDADMP CCOc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107574314 369353846 /nfs/dbraw/zinc/35/38/46/369353846.db2.gz SIRHJJZAVZPVMM-KBPBESRZSA-N 2 1 246.354 1.737 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000459724302 203342601 /nfs/dbraw/zinc/34/26/01/203342601.db2.gz ALLLOZSGJHVWKI-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000459736635 203347266 /nfs/dbraw/zinc/34/72/66/203347266.db2.gz QCSREBZNIGJZRA-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP COC1CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459795385 203373110 /nfs/dbraw/zinc/37/31/10/203373110.db2.gz VFATZFBTAQGHHJ-HIFPTAJRSA-N 2 1 226.364 1.485 20 0 BDADMP CSCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000252687782 370115586 /nfs/dbraw/zinc/11/55/86/370115586.db2.gz MHYJDWZOSZXQEO-MNOVXSKESA-N 2 1 216.394 1.669 20 0 BDADMP COCCCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000568181213 326321498 /nfs/dbraw/zinc/32/14/98/326321498.db2.gz NVPOTPSDZQRWPW-UHFFFAOYSA-N 2 1 239.363 1.711 20 0 BDADMP COCCCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000568181213 326321499 /nfs/dbraw/zinc/32/14/99/326321499.db2.gz NVPOTPSDZQRWPW-UHFFFAOYSA-N 2 1 239.363 1.711 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccnc(C)c2)CC[C@H]1[NH3+] ZINC000621775349 370523143 /nfs/dbraw/zinc/52/31/43/370523143.db2.gz MQCPAHIKBWKTGK-UONOGXRCSA-N 2 1 233.359 1.949 20 0 BDADMP CCn1nccc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000621775832 370523498 /nfs/dbraw/zinc/52/34/98/370523498.db2.gz ZWFPZYMXQPXLBX-GXTWGEPZSA-N 2 1 248.374 1.129 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000621775832 370523503 /nfs/dbraw/zinc/52/35/03/370523503.db2.gz ZWFPZYMXQPXLBX-GXTWGEPZSA-N 2 1 248.374 1.129 20 0 BDADMP CC(C)OCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621777337 370526301 /nfs/dbraw/zinc/52/63/01/370526301.db2.gz AWRVAVAJAIXPSS-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621777337 370526307 /nfs/dbraw/zinc/52/63/07/370526307.db2.gz AWRVAVAJAIXPSS-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000621778457 370527858 /nfs/dbraw/zinc/52/78/58/370527858.db2.gz PRGSGJBIICBQTF-ZIAGYGMSSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000621778457 370527862 /nfs/dbraw/zinc/52/78/62/370527862.db2.gz PRGSGJBIICBQTF-ZIAGYGMSSA-N 2 1 216.328 2.000 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782700 370531880 /nfs/dbraw/zinc/53/18/80/370531880.db2.gz RPVDZYMWOROMIS-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782700 370531888 /nfs/dbraw/zinc/53/18/88/370531888.db2.gz RPVDZYMWOROMIS-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCc1cccnc1)C2 ZINC000621782976 370532350 /nfs/dbraw/zinc/53/23/50/370532350.db2.gz VMCMJXMVDNNZID-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCc1cccnc1)C2 ZINC000621782976 370532353 /nfs/dbraw/zinc/53/23/53/370532353.db2.gz VMCMJXMVDNNZID-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000568649545 326369277 /nfs/dbraw/zinc/36/92/77/326369277.db2.gz MPBIDPHNJBGXRA-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000568649545 326369279 /nfs/dbraw/zinc/36/92/79/326369279.db2.gz MPBIDPHNJBGXRA-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631044815 371030347 /nfs/dbraw/zinc/03/03/47/371030347.db2.gz OAYWXXHDEJXCDH-LBPRGKRZSA-N 2 1 235.331 1.219 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000623786536 371092898 /nfs/dbraw/zinc/09/28/98/371092898.db2.gz WMABSQNIQCQQLA-RDBSUJKOSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623786536 371092903 /nfs/dbraw/zinc/09/29/03/371092903.db2.gz WMABSQNIQCQQLA-RDBSUJKOSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623786536 371092909 /nfs/dbraw/zinc/09/29/09/371092909.db2.gz WMABSQNIQCQQLA-RDBSUJKOSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623786536 371092913 /nfs/dbraw/zinc/09/29/13/371092913.db2.gz WMABSQNIQCQQLA-RDBSUJKOSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623786536 371092920 /nfs/dbraw/zinc/09/29/20/371092920.db2.gz WMABSQNIQCQQLA-RDBSUJKOSA-N 2 1 237.391 1.297 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000623867091 371133820 /nfs/dbraw/zinc/13/38/20/371133820.db2.gz QQJQFOGHRXIEGW-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCSC)[C@H](C)C1 ZINC000154756449 371159022 /nfs/dbraw/zinc/15/90/22/371159022.db2.gz KWWOFWUPDSJOMM-MNOVXSKESA-N 2 1 216.394 1.669 20 0 BDADMP C[NH+](C)CCCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000390293447 371193510 /nfs/dbraw/zinc/19/35/10/371193510.db2.gz PYCKAHLFRNDOLJ-UHFFFAOYSA-N 2 1 246.358 1.994 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000624298607 371464301 /nfs/dbraw/zinc/46/43/01/371464301.db2.gz VRKSCPQFPRWGPP-USZNOCQGSA-N 2 1 212.337 1.236 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000624298607 371464307 /nfs/dbraw/zinc/46/43/07/371464307.db2.gz VRKSCPQFPRWGPP-USZNOCQGSA-N 2 1 212.337 1.236 20 0 BDADMP FC(F)(F)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000131251411 371576996 /nfs/dbraw/zinc/57/69/96/371576996.db2.gz QAOZMGGSXZQZED-IUCAKERBSA-N 2 1 222.254 1.480 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000573075967 326428283 /nfs/dbraw/zinc/42/82/83/326428283.db2.gz SYJMLXRLEKPOTF-GXTWGEPZSA-N 3 1 239.407 1.483 20 0 BDADMP CC(C)(F)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631189243 372222245 /nfs/dbraw/zinc/22/22/45/372222245.db2.gz QLSLQXFAZSQQIT-QWRGUYRKSA-N 2 1 214.328 1.951 20 0 BDADMP CC(C)(F)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631189243 372222251 /nfs/dbraw/zinc/22/22/51/372222251.db2.gz QLSLQXFAZSQQIT-QWRGUYRKSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631823671 372587340 /nfs/dbraw/zinc/58/73/40/372587340.db2.gz KVZDCBNOLPCBEC-QCNOEVLYSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000631822623 372598600 /nfs/dbraw/zinc/59/86/00/372598600.db2.gz JMICQCRONFGKOL-UMNHJUIQSA-N 2 1 212.337 1.128 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000631827672 372607845 /nfs/dbraw/zinc/60/78/45/372607845.db2.gz UHOLKMFNFISUIP-MELADBBJSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1nccnc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000631828675 372608709 /nfs/dbraw/zinc/60/87/09/372608709.db2.gz VHIQJKMIWPIPCD-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000631828675 372608719 /nfs/dbraw/zinc/60/87/19/372608719.db2.gz VHIQJKMIWPIPCD-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP N[C@H]1CCCCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000631835085 372621256 /nfs/dbraw/zinc/62/12/56/372621256.db2.gz MBGFYLNQYAKIIX-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@H]1CCCCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000631835085 372621258 /nfs/dbraw/zinc/62/12/58/372621258.db2.gz MBGFYLNQYAKIIX-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838019 372630809 /nfs/dbraw/zinc/63/08/09/372630809.db2.gz YPUUUXODOLAQIK-QWRGUYRKSA-N 2 1 235.331 1.117 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838019 372630816 /nfs/dbraw/zinc/63/08/16/372630816.db2.gz YPUUUXODOLAQIK-QWRGUYRKSA-N 2 1 235.331 1.117 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[C@H]2C[NH2+]3)c1C ZINC000631849521 372647352 /nfs/dbraw/zinc/64/73/52/372647352.db2.gz LZSACRCQNUJSOI-RYUDHWBXSA-N 2 1 247.342 1.253 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000631825478 372604199 /nfs/dbraw/zinc/60/41/99/372604199.db2.gz JZEIIXHJZPQYJK-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000631826400 372605375 /nfs/dbraw/zinc/60/53/75/372605375.db2.gz MMQQCWBYTCLTFW-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP Cn1cc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC000631888882 372685281 /nfs/dbraw/zinc/68/52/81/372685281.db2.gz CRMWDLCVQMZUCA-UONOGXRCSA-N 2 1 248.374 1.037 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890899 372687028 /nfs/dbraw/zinc/68/70/28/372687028.db2.gz ULAQVZPTWJLAMY-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453380754 205803130 /nfs/dbraw/zinc/80/31/30/205803130.db2.gz RFFNKVPHQKLESH-XJFOESAGSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000424328851 206037182 /nfs/dbraw/zinc/03/71/82/206037182.db2.gz RACFKRABAYWVRL-WYUUTHIRSA-N 2 1 208.349 1.857 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2cncn2C)CCCO1 ZINC000459426275 206126345 /nfs/dbraw/zinc/12/63/45/206126345.db2.gz DGVJWVQLNQVKTP-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP OC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000336711316 183019073 /nfs/dbraw/zinc/01/90/73/183019073.db2.gz LZVXKKAWVWOWPK-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP O=C1NCCC[C@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328651785 183024604 /nfs/dbraw/zinc/02/46/04/183024604.db2.gz JUDHOOXHWILBQH-LLVKDONJSA-N 2 1 248.330 1.708 20 0 BDADMP OCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000303375734 183048177 /nfs/dbraw/zinc/04/81/77/183048177.db2.gz NYLKSEXKWCJFNT-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515612 183076928 /nfs/dbraw/zinc/07/69/28/183076928.db2.gz TZXXUXLFLQDNDF-UHFFFAOYSA-N 2 1 248.370 1.275 20 0 BDADMP OCC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217384 183098162 /nfs/dbraw/zinc/09/81/62/183098162.db2.gz KRKJNMPKOLTSHE-CYBMUJFWSA-N 2 1 226.364 1.080 20 0 BDADMP OC[C@H]1CCCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000372885863 183146258 /nfs/dbraw/zinc/14/62/58/183146258.db2.gz WSXFNLNVDHHMIO-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP O[C@@H](C[NH2+]Cc1ccccc1)C[NH+]1CCCC1 ZINC000037859669 183180933 /nfs/dbraw/zinc/18/09/33/183180933.db2.gz MYAKUNIIRCKROH-AWEZNQCLSA-N 2 1 234.343 1.233 20 0 BDADMP CCC[N@@H+](C)CC(=O)N(CC)CCC[NH+](C)C ZINC000338895149 169065827 /nfs/dbraw/zinc/06/58/27/169065827.db2.gz NCJWDHRINHUALT-UHFFFAOYSA-N 2 1 243.395 1.128 20 0 BDADMP O[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC12CC2 ZINC000364602485 183243312 /nfs/dbraw/zinc/24/33/12/183243312.db2.gz RHPNJRKQRJWULZ-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP O[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC12CC2 ZINC000364602485 183243315 /nfs/dbraw/zinc/24/33/15/183243315.db2.gz RHPNJRKQRJWULZ-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP CCC[N@@H+](CCC(=O)OCC)C1CC[NH2+]CC1 ZINC000042430817 169139765 /nfs/dbraw/zinc/13/97/65/169139765.db2.gz OQVKOIMIOLOKTM-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)O ZINC000336712192 169171273 /nfs/dbraw/zinc/17/12/73/169171273.db2.gz OAJUWLNKQSGAPL-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000336712192 169171275 /nfs/dbraw/zinc/17/12/75/169171275.db2.gz OAJUWLNKQSGAPL-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000336712192 169171277 /nfs/dbraw/zinc/17/12/77/169171277.db2.gz OAJUWLNKQSGAPL-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000091007364 169188883 /nfs/dbraw/zinc/18/88/83/169188883.db2.gz XZDMDWAWGOBLIZ-UHFFFAOYSA-N 2 1 235.375 1.989 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093210644 169189145 /nfs/dbraw/zinc/18/91/45/169189145.db2.gz HYNKZMJBJZAVPH-OCCSQVGLSA-N 3 1 239.407 1.720 20 0 BDADMP CCC[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000341898835 169190415 /nfs/dbraw/zinc/19/04/15/169190415.db2.gz UQNGRWHXWDTIPQ-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000341898835 169190419 /nfs/dbraw/zinc/19/04/19/169190419.db2.gz UQNGRWHXWDTIPQ-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000360621897 169194973 /nfs/dbraw/zinc/19/49/73/169194973.db2.gz TWBPIFOKPUHUCL-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000353518655 169207101 /nfs/dbraw/zinc/20/71/01/169207101.db2.gz LIZIVGJJDVZBCQ-HSBZDZAISA-N 2 1 240.391 1.611 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000336764430 169209022 /nfs/dbraw/zinc/20/90/22/169209022.db2.gz PXSSUWJPSMANDS-JHJVBQTASA-N 2 1 210.365 1.964 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340205432 169209455 /nfs/dbraw/zinc/20/94/55/169209455.db2.gz XLRPLHCBTBMFGD-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222568445 134332819 /nfs/dbraw/zinc/33/28/19/134332819.db2.gz ZOFMIKFPLXVOGC-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CO)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000222561872 134332983 /nfs/dbraw/zinc/33/29/83/134332983.db2.gz XZJQNFSKUYIUSV-NSHDSACASA-N 2 1 214.353 1.079 20 0 BDADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCSC1 ZINC000224340850 134345749 /nfs/dbraw/zinc/34/57/49/134345749.db2.gz XFOYTAQJZRRXSL-AVGNSLFASA-N 2 1 240.416 1.956 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCSC1 ZINC000224340850 134345750 /nfs/dbraw/zinc/34/57/50/134345750.db2.gz XFOYTAQJZRRXSL-AVGNSLFASA-N 2 1 240.416 1.956 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000226723355 134370820 /nfs/dbraw/zinc/37/08/20/134370820.db2.gz ZILMTXOBIKHCSQ-WRWGMCAJSA-N 2 1 226.364 1.076 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000226723355 134370821 /nfs/dbraw/zinc/37/08/21/134370821.db2.gz ZILMTXOBIKHCSQ-WRWGMCAJSA-N 2 1 226.364 1.076 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCC[NH3+] ZINC000237078172 383865883 /nfs/dbraw/zinc/86/58/83/383865883.db2.gz IADPLDAGVSEJIS-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP C[N@@H+](Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000036777704 383909811 /nfs/dbraw/zinc/90/98/11/383909811.db2.gz CAFWITQUZWKKRA-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+](Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000036777704 383909834 /nfs/dbraw/zinc/90/98/34/383909834.db2.gz CAFWITQUZWKKRA-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@@H+](Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000036777703 383909888 /nfs/dbraw/zinc/90/98/88/383909888.db2.gz CAFWITQUZWKKRA-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+](Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000036777703 383909892 /nfs/dbraw/zinc/90/98/92/383909892.db2.gz CAFWITQUZWKKRA-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COCC2(C)C)CC[N@@H+]1C ZINC000313121837 383910710 /nfs/dbraw/zinc/91/07/10/383910710.db2.gz LFLHNYXWWQUJMW-UTUOFQBUSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COCC2(C)C)CC[N@H+]1C ZINC000313121837 383910713 /nfs/dbraw/zinc/91/07/13/383910713.db2.gz LFLHNYXWWQUJMW-UTUOFQBUSA-N 2 1 226.364 1.484 20 0 BDADMP N[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1 ZINC000304206588 383897218 /nfs/dbraw/zinc/89/72/18/383897218.db2.gz PUMSQVVDKKEHPJ-QWHCGFSZSA-N 2 1 222.307 1.773 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000518547197 383996625 /nfs/dbraw/zinc/99/66/25/383996625.db2.gz YDTZXNKERHOTQT-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000401787178 384004109 /nfs/dbraw/zinc/00/41/09/384004109.db2.gz LMTMTZNFLNGVDF-VXGBXAGGSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000037859663 384029392 /nfs/dbraw/zinc/02/93/92/384029392.db2.gz KWNBOCLGPHDICH-ZFWWWQNUSA-N 2 1 248.370 1.794 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000309440543 384078153 /nfs/dbraw/zinc/07/81/53/384078153.db2.gz IKKDFCOTUQWXJZ-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310250785 384104908 /nfs/dbraw/zinc/10/49/08/384104908.db2.gz KIASKEBFSJBVCT-OCCSQVGLSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CO1 ZINC000401849816 384121923 /nfs/dbraw/zinc/12/19/23/384121923.db2.gz CIGPTHVGHQEWMC-VOAKCMCISA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CO1 ZINC000401849816 384121931 /nfs/dbraw/zinc/12/19/31/384121931.db2.gz CIGPTHVGHQEWMC-VOAKCMCISA-N 2 1 224.348 1.380 20 0 BDADMP CC[NH+](CC)C[C@H](C)NCc1c[nH+]c(C)n1C ZINC000569504790 384141653 /nfs/dbraw/zinc/14/16/53/384141653.db2.gz XXEFHJKMSOHYQN-NSHDSACASA-N 2 1 238.379 1.548 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2nccn2C)CC[NH2+]1 ZINC000235366469 384171644 /nfs/dbraw/zinc/17/16/44/384171644.db2.gz RRYWZNJHCXTATK-VXGBXAGGSA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC[NH2+]C ZINC000394307626 384175164 /nfs/dbraw/zinc/17/51/64/384175164.db2.gz WPZJWNBNIQFBSY-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446183 384190650 /nfs/dbraw/zinc/19/06/50/384190650.db2.gz HJXITIXBKNPWJP-DZGCQCFKSA-N 2 1 248.370 1.479 20 0 BDADMP C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446177 384192075 /nfs/dbraw/zinc/19/20/75/384192075.db2.gz HJXITIXBKNPWJP-ZFWWWQNUSA-N 2 1 248.370 1.479 20 0 BDADMP COCC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000081713379 384198308 /nfs/dbraw/zinc/19/83/08/384198308.db2.gz IWQDWQGLCODYGF-JTQLQIEISA-N 2 1 211.309 1.206 20 0 BDADMP C[N@H+](Cc1cccnc1)CC(C)(C)C[NH3+] ZINC000051217635 384234821 /nfs/dbraw/zinc/23/48/21/384234821.db2.gz MWAFMZOAJYKRRQ-UHFFFAOYSA-N 2 1 207.321 1.498 20 0 BDADMP C[N@@H+](Cc1cccnc1)CC(C)(C)C[NH3+] ZINC000051217635 384234827 /nfs/dbraw/zinc/23/48/27/384234827.db2.gz MWAFMZOAJYKRRQ-UHFFFAOYSA-N 2 1 207.321 1.498 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnn1C ZINC000300124095 384221584 /nfs/dbraw/zinc/22/15/84/384221584.db2.gz UJNKEQFLEGLEBX-AVGNSLFASA-N 2 1 248.374 1.698 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnn1C ZINC000300124095 384221594 /nfs/dbraw/zinc/22/15/94/384221594.db2.gz UJNKEQFLEGLEBX-AVGNSLFASA-N 2 1 248.374 1.698 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000069626943 384247220 /nfs/dbraw/zinc/24/72/20/384247220.db2.gz BMZOIXQLSXRUND-MNOVXSKESA-N 2 1 223.320 1.542 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000069626943 384247224 /nfs/dbraw/zinc/24/72/24/384247224.db2.gz BMZOIXQLSXRUND-MNOVXSKESA-N 2 1 223.320 1.542 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC000228474052 384258030 /nfs/dbraw/zinc/25/80/30/384258030.db2.gz MSRUTIOSCBMISJ-IVZWLZJFSA-N 2 1 236.281 1.998 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000228556066 384277597 /nfs/dbraw/zinc/27/75/97/384277597.db2.gz RMEZHPMMNGDEKS-VHSXEESVSA-N 2 1 200.351 1.081 20 0 BDADMP C[C@@H]1Cc2ccccc2C[N@H+]1CCC[NH3+] ZINC000082791054 384266139 /nfs/dbraw/zinc/26/61/39/384266139.db2.gz MNVVJXZMRZPVJE-LLVKDONJSA-N 2 1 204.317 1.782 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOC)C1 ZINC000174219510 384306644 /nfs/dbraw/zinc/30/66/44/384306644.db2.gz NIFMGLIZMHVNQO-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[C@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000133732475 384311539 /nfs/dbraw/zinc/31/15/39/384311539.db2.gz YVGTVZXNWNYTRN-LBPRGKRZSA-N 2 1 223.320 1.384 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc2ccccn12 ZINC000647509183 384338174 /nfs/dbraw/zinc/33/81/74/384338174.db2.gz SERPAOGMWHJHOG-RYUDHWBXSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300372919 384359646 /nfs/dbraw/zinc/35/96/46/384359646.db2.gz XNKMSFVYEFTWKH-WOPDTQHZSA-N 2 1 214.353 1.220 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000335600554 384370968 /nfs/dbraw/zinc/37/09/68/384370968.db2.gz QHMRECFFJZGMME-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000335603046 384373262 /nfs/dbraw/zinc/37/32/62/384373262.db2.gz ISLDQBLSBJIEDR-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccoc1 ZINC000566087701 384389270 /nfs/dbraw/zinc/38/92/70/384389270.db2.gz BUFWIOKYZFOCNB-GHMZBOCLSA-N 2 1 208.305 1.930 20 0 BDADMP Cc1ccncc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000135456675 384446541 /nfs/dbraw/zinc/44/65/41/384446541.db2.gz DGXXPRVJXSYRHC-GFCCVEGCSA-N 2 1 221.348 1.820 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CCC[NH+](C)C ZINC000036864606 384460260 /nfs/dbraw/zinc/46/02/60/384460260.db2.gz ZUFODMSYUYJKCF-UHFFFAOYSA-N 2 1 210.325 1.068 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000647515913 384462036 /nfs/dbraw/zinc/46/20/36/384462036.db2.gz ZTZLPFHYKMVAOP-STQMWFEESA-N 2 1 226.364 1.080 20 0 BDADMP COCC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000556762286 384473956 /nfs/dbraw/zinc/47/39/56/384473956.db2.gz XIWMEJBNDUXYCY-LBPRGKRZSA-N 2 1 239.363 1.938 20 0 BDADMP COCC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000556762286 384473966 /nfs/dbraw/zinc/47/39/66/384473966.db2.gz XIWMEJBNDUXYCY-LBPRGKRZSA-N 2 1 239.363 1.938 20 0 BDADMP C[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1F ZINC000037713315 384513427 /nfs/dbraw/zinc/51/34/27/384513427.db2.gz IRMBWYFOSZJKNR-QMMMGPOBSA-N 2 1 214.259 1.964 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590673 384520719 /nfs/dbraw/zinc/52/07/19/384520719.db2.gz PTPCHCLMAWZAIG-VHSXEESVSA-N 2 1 200.351 1.305 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCOC1 ZINC000643056837 384558115 /nfs/dbraw/zinc/55/81/15/384558115.db2.gz ZDBYVPUTSRMIOG-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCCO1 ZINC000643067113 384578972 /nfs/dbraw/zinc/57/89/72/384578972.db2.gz YBVDXOYYIPJSAR-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCCO1 ZINC000643067113 384578982 /nfs/dbraw/zinc/57/89/82/384578982.db2.gz YBVDXOYYIPJSAR-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@H]1CCCOC1 ZINC000356905179 384567354 /nfs/dbraw/zinc/56/73/54/384567354.db2.gz UQDSKQUFLGYRSQ-UBHSHLNASA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCF)CC[N@@H+]1C ZINC000151374804 384567915 /nfs/dbraw/zinc/56/79/15/384567915.db2.gz MMVKDWRESAMAER-WDEREUQCSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCF)CC[N@H+]1C ZINC000151374804 384567922 /nfs/dbraw/zinc/56/79/22/384567922.db2.gz MMVKDWRESAMAER-WDEREUQCSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCCF)CC[NH+]1C ZINC000151374804 384567926 /nfs/dbraw/zinc/56/79/26/384567926.db2.gz MMVKDWRESAMAER-WDEREUQCSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCCF)CC[NH+]1C ZINC000151374804 384567935 /nfs/dbraw/zinc/56/79/35/384567935.db2.gz MMVKDWRESAMAER-WDEREUQCSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCF)CC[N@@H+]1C ZINC000151374855 384568035 /nfs/dbraw/zinc/56/80/35/384568035.db2.gz MMVKDWRESAMAER-MNOVXSKESA-N 2 1 202.317 1.761 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCF)CC[N@H+]1C ZINC000151374855 384568041 /nfs/dbraw/zinc/56/80/41/384568041.db2.gz MMVKDWRESAMAER-MNOVXSKESA-N 2 1 202.317 1.761 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCCF)CC[NH+]1C ZINC000151374855 384568046 /nfs/dbraw/zinc/56/80/46/384568046.db2.gz MMVKDWRESAMAER-MNOVXSKESA-N 2 1 202.317 1.761 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCF)CC[NH+]1C ZINC000151374855 384568048 /nfs/dbraw/zinc/56/80/48/384568048.db2.gz MMVKDWRESAMAER-MNOVXSKESA-N 2 1 202.317 1.761 20 0 BDADMP Cc1nnsc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000309785680 384609168 /nfs/dbraw/zinc/60/91/68/384609168.db2.gz SMCKBGYYVPUGIS-WPRPVWTQSA-N 2 1 240.376 1.276 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CC2)CC[N@H+]1C ZINC000309792772 384612904 /nfs/dbraw/zinc/61/29/04/384612904.db2.gz UTHBUSOUNKPSOE-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP CC1([NH3+])CC[NH+](Cc2cccc(O)c2)CC1 ZINC000647531473 384619432 /nfs/dbraw/zinc/61/94/32/384619432.db2.gz ZAAAEYXBWTWMJN-UHFFFAOYSA-N 2 1 220.316 1.705 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000400735977 384641535 /nfs/dbraw/zinc/64/15/35/384641535.db2.gz RRVRCXAQFAVIGC-OOCWMUITSA-N 2 1 212.337 1.282 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000309678214 384724630 /nfs/dbraw/zinc/72/46/30/384724630.db2.gz YPUCIWLOOORXIU-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP CCOCC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316070302 384724782 /nfs/dbraw/zinc/72/47/82/384724782.db2.gz HKDTYJCXWCSXLI-WOPDTQHZSA-N 2 1 214.353 1.471 20 0 BDADMP CCOCC[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316070302 384724787 /nfs/dbraw/zinc/72/47/87/384724787.db2.gz HKDTYJCXWCSXLI-WOPDTQHZSA-N 2 1 214.353 1.471 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCOCC1 ZINC000309926876 384725693 /nfs/dbraw/zinc/72/56/93/384725693.db2.gz VRVWPWRHZFYBQE-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725454 384677971 /nfs/dbraw/zinc/67/79/71/384677971.db2.gz YIAMFISHEZWLON-GHMZBOCLSA-N 2 1 208.305 1.552 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000086729738 384679471 /nfs/dbraw/zinc/67/94/71/384679471.db2.gz VOTXWHXMHNLYCL-ZDUSSCGKSA-N 2 1 204.317 1.489 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000151667266 384687624 /nfs/dbraw/zinc/68/76/24/384687624.db2.gz OGRLEHAZHAIGFI-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000335424665 384708627 /nfs/dbraw/zinc/70/86/27/384708627.db2.gz GLTNCYRMIYWLQK-ZYHUDNBSSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000086887271 384711988 /nfs/dbraw/zinc/71/19/88/384711988.db2.gz VMUAHBQJFIWCDK-GHMZBOCLSA-N 2 1 205.305 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccncc2)C1 ZINC000173891950 384731496 /nfs/dbraw/zinc/73/14/96/384731496.db2.gz JCKBDXFKGDVBCU-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000173891950 384731505 /nfs/dbraw/zinc/73/15/05/384731505.db2.gz JCKBDXFKGDVBCU-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000173891950 384731512 /nfs/dbraw/zinc/73/15/12/384731512.db2.gz JCKBDXFKGDVBCU-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000647550510 384747315 /nfs/dbraw/zinc/74/73/15/384747315.db2.gz VHYHAURSUDPQMW-CHWSQXEVSA-N 2 1 240.391 1.517 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CNC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000647549656 384747780 /nfs/dbraw/zinc/74/77/80/384747780.db2.gz LJPGNMNNFRLGHP-CYDGBPFRSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)[C@@H]1CCCO1 ZINC000647549656 384747787 /nfs/dbraw/zinc/74/77/87/384747787.db2.gz LJPGNMNNFRLGHP-CYDGBPFRSA-N 2 1 226.364 1.532 20 0 BDADMP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@H]3CCCCNC3)CC[C@@H]12 ZINC000647548185 384750677 /nfs/dbraw/zinc/75/06/77/384750677.db2.gz XZFBANQLQCKPNT-FQUUOJAGSA-N 2 1 237.391 1.106 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000647551773 384754268 /nfs/dbraw/zinc/75/42/68/384754268.db2.gz KHBZULBVDWRVBE-OLZOCXBDSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163388382 384755141 /nfs/dbraw/zinc/75/51/41/384755141.db2.gz LAXLFGMSEYMUOV-CHWSQXEVSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000423358593 384832549 /nfs/dbraw/zinc/83/25/49/384832549.db2.gz BWUNWJBSYKKCDH-DCAQKATOSA-N 2 1 234.347 1.415 20 0 BDADMP CCCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115548897 384805629 /nfs/dbraw/zinc/80/56/29/384805629.db2.gz ZPCGYIXQVUKZNU-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340203819 384955948 /nfs/dbraw/zinc/95/59/48/384955948.db2.gz XQMVGLFANCUMMN-SNPRPXQTSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340203819 384955955 /nfs/dbraw/zinc/95/59/55/384955955.db2.gz XQMVGLFANCUMMN-SNPRPXQTSA-N 2 1 248.370 1.792 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCOC ZINC000127655877 384910885 /nfs/dbraw/zinc/91/08/85/384910885.db2.gz VNYUZJMUVXPBAP-NWDGAFQWSA-N 2 1 216.369 1.731 20 0 BDADMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000259214867 384958995 /nfs/dbraw/zinc/95/89/95/384958995.db2.gz XJCYNSHYVGNUHM-QWHCGFSZSA-N 2 1 220.316 1.665 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1F ZINC000258903251 384945152 /nfs/dbraw/zinc/94/51/52/384945152.db2.gz HSXMCRORCBHEJK-NWDGAFQWSA-N 2 1 238.306 1.804 20 0 BDADMP C[C@@H](O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000566230502 384964882 /nfs/dbraw/zinc/96/48/82/384964882.db2.gz HVQIVWQHFIMPOO-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000404486968 385022226 /nfs/dbraw/zinc/02/22/26/385022226.db2.gz CTFPKOZBDRGMOD-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP CC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000644588780 384991712 /nfs/dbraw/zinc/99/17/12/384991712.db2.gz UFEXGGTVMBMSQI-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000300861496 385007530 /nfs/dbraw/zinc/00/75/30/385007530.db2.gz NUAOWTAJVJXAFZ-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000310095648 385008320 /nfs/dbraw/zinc/00/83/20/385008320.db2.gz UZRAPCWLPKPVFC-CYBMUJFWSA-N 2 1 235.331 1.261 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000310095648 385008324 /nfs/dbraw/zinc/00/83/24/385008324.db2.gz UZRAPCWLPKPVFC-CYBMUJFWSA-N 2 1 235.331 1.261 20 0 BDADMP Cc1cccnc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404763641 385055624 /nfs/dbraw/zinc/05/56/24/385055624.db2.gz DZRGBLGWKTUCNB-NWDGAFQWSA-N 2 1 219.332 1.605 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000312991467 385055572 /nfs/dbraw/zinc/05/55/72/385055572.db2.gz XETGGFWRGITDSP-NSHDSACASA-N 2 1 212.337 1.095 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000404781006 385065077 /nfs/dbraw/zinc/06/50/77/385065077.db2.gz NGRUAUHIFFYYOO-NEPJUHHUSA-N 2 1 247.342 1.001 20 0 BDADMP Cc1cccc(N2CC[C@@H]([NH3+])[C@@H](C)C2)[nH+]1 ZINC000227078432 385087004 /nfs/dbraw/zinc/08/70/04/385087004.db2.gz RVIKRALGWLUYKM-GXSJLCMTSA-N 2 1 205.305 1.564 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000306557819 385088624 /nfs/dbraw/zinc/08/86/24/385088624.db2.gz JLTWNSHHLRJZOK-MWLCHTKSSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000310498655 385091669 /nfs/dbraw/zinc/09/16/69/385091669.db2.gz LGYQFLLEJMCYGN-RISCZKNCSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000646975041 385103472 /nfs/dbraw/zinc/10/34/72/385103472.db2.gz VPHFJWSWMUCHSN-CYBMUJFWSA-N 2 1 247.342 1.568 20 0 BDADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000646975041 385103481 /nfs/dbraw/zinc/10/34/81/385103481.db2.gz VPHFJWSWMUCHSN-CYBMUJFWSA-N 2 1 247.342 1.568 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310852123 385192496 /nfs/dbraw/zinc/19/24/96/385192496.db2.gz MIMUEFGCGYCBJB-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CC[N@H+]1C ZINC000178161856 385193996 /nfs/dbraw/zinc/19/39/96/385193996.db2.gz DAJXDVBFFRSIQM-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422708362 385194643 /nfs/dbraw/zinc/19/46/43/385194643.db2.gz BUKZIBQJNZYMSX-IYXRBSQSSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000305141382 385200381 /nfs/dbraw/zinc/20/03/81/385200381.db2.gz QFOXEDJOIHQZHU-PDWCTOEPSA-N 2 1 242.407 1.712 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCOC3)C2)C1 ZINC000644784222 385168148 /nfs/dbraw/zinc/16/81/48/385168148.db2.gz WKKJNCGJSSBYPI-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCOC3)C2)C1 ZINC000644784222 385168154 /nfs/dbraw/zinc/16/81/54/385168154.db2.gz WKKJNCGJSSBYPI-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCOC3)C2)C1 ZINC000644784222 385168157 /nfs/dbraw/zinc/16/81/57/385168157.db2.gz WKKJNCGJSSBYPI-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[C@H](CCN(C)C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000308860084 385222497 /nfs/dbraw/zinc/22/24/97/385222497.db2.gz PBPJJBWTVOEANP-NWDGAFQWSA-N 2 1 215.385 1.434 20 0 BDADMP CCc1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359326168 385231421 /nfs/dbraw/zinc/23/14/21/385231421.db2.gz WZPRHYYPFSEPKD-IYBDPMFKSA-N 2 1 244.382 1.943 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000308873846 385237401 /nfs/dbraw/zinc/23/74/01/385237401.db2.gz MASBQCMWIMWXME-LLVKDONJSA-N 2 1 216.394 1.669 20 0 BDADMP CON1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000323070669 385243729 /nfs/dbraw/zinc/24/37/29/385243729.db2.gz PIOLQQCAYBKULI-DGCLKSJQSA-N 2 1 241.379 1.085 20 0 BDADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000323070669 385243734 /nfs/dbraw/zinc/24/37/34/385243734.db2.gz PIOLQQCAYBKULI-DGCLKSJQSA-N 2 1 241.379 1.085 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CS[C@H](C)C1 ZINC000308843246 385205325 /nfs/dbraw/zinc/20/53/25/385205325.db2.gz ZAPSECZZVHJTKM-MWLCHTKSSA-N 2 1 225.361 1.675 20 0 BDADMP COc1c(C)c[nH+]c(CN2CCC[C@H]2C[NH3+])c1C ZINC000019844463 385259446 /nfs/dbraw/zinc/25/94/46/385259446.db2.gz YCFCNGFXKMGSJO-LBPRGKRZSA-N 2 1 249.358 1.630 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1nccn1C ZINC000344295466 385271968 /nfs/dbraw/zinc/27/19/68/385271968.db2.gz SPHWREZODKKPOI-NSHDSACASA-N 2 1 234.347 1.333 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nccn1C ZINC000344295466 385271971 /nfs/dbraw/zinc/27/19/71/385271971.db2.gz SPHWREZODKKPOI-NSHDSACASA-N 2 1 234.347 1.333 20 0 BDADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000647490730 385282742 /nfs/dbraw/zinc/28/27/42/385282742.db2.gz LXKRTFZGYNBRDG-VIFPVBQESA-N 2 1 237.372 1.801 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000647490730 385282751 /nfs/dbraw/zinc/28/27/51/385282751.db2.gz LXKRTFZGYNBRDG-VIFPVBQESA-N 2 1 237.372 1.801 20 0 BDADMP COCC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316500509 385296566 /nfs/dbraw/zinc/29/65/66/385296566.db2.gz ZHIXQJYRQGDNID-MXWKQRLJSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316500509 385296568 /nfs/dbraw/zinc/29/65/68/385296568.db2.gz ZHIXQJYRQGDNID-MXWKQRLJSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCO ZINC000179149422 385368508 /nfs/dbraw/zinc/36/85/08/385368508.db2.gz FOFKWJUHVFXLEF-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCCO ZINC000179149198 385369840 /nfs/dbraw/zinc/36/98/40/385369840.db2.gz JBAVDQDLACSSRB-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@H+]1C[C@H]2CCN(CC[NH+]3CCCCC3)[C@H]2C1 ZINC000644736609 385387083 /nfs/dbraw/zinc/38/70/83/385387083.db2.gz OHVOVXHMZAVVEM-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000400168274 385327514 /nfs/dbraw/zinc/32/75/14/385327514.db2.gz MCXUCKVLLWXSAE-RISCZKNCSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000168988358 385398739 /nfs/dbraw/zinc/39/87/39/385398739.db2.gz HJFBMSZDFDPSOG-HZSPNIEDSA-N 2 1 248.374 1.488 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000168988358 385398744 /nfs/dbraw/zinc/39/87/44/385398744.db2.gz HJFBMSZDFDPSOG-HZSPNIEDSA-N 2 1 248.374 1.488 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2c(C)n[nH]c2C)CC[C@H]1[NH3+] ZINC000647498208 385415393 /nfs/dbraw/zinc/41/53/93/385415393.db2.gz CPAZUZDFDUGZEU-DGCLKSJQSA-N 2 1 236.363 1.586 20 0 BDADMP C[C@@]1(C[NH+]2CCSCC2)CC[NH2+]C1 ZINC000062911004 385438984 /nfs/dbraw/zinc/43/89/84/385438984.db2.gz WUBCEVOYOGRSGM-SNVBAGLBSA-N 2 1 200.351 1.035 20 0 BDADMP COCC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309131720 385431531 /nfs/dbraw/zinc/43/15/31/385431531.db2.gz XZCKIJQJHBHZAQ-NWDGAFQWSA-N 2 1 216.369 1.730 20 0 BDADMP COCC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309131720 385431535 /nfs/dbraw/zinc/43/15/35/385431535.db2.gz XZCKIJQJHBHZAQ-NWDGAFQWSA-N 2 1 216.369 1.730 20 0 BDADMP COC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000179502967 385470045 /nfs/dbraw/zinc/47/00/45/385470045.db2.gz GRYADXIJUFJVCX-LLVKDONJSA-N 2 1 225.336 1.548 20 0 BDADMP COC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000179502967 385470050 /nfs/dbraw/zinc/47/00/50/385470050.db2.gz GRYADXIJUFJVCX-LLVKDONJSA-N 2 1 225.336 1.548 20 0 BDADMP CCC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309291135 385513289 /nfs/dbraw/zinc/51/32/89/385513289.db2.gz VUMDRGJRQJFBFN-ZDUSSCGKSA-N 2 1 226.364 1.364 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000309333883 385536722 /nfs/dbraw/zinc/53/67/22/385536722.db2.gz JSBCADISTXRFTC-UMSGYPCISA-N 2 1 228.380 1.730 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CCCN1CCCC1 ZINC000309352162 385543382 /nfs/dbraw/zinc/54/33/82/385543382.db2.gz MRVAEKUYHPHECI-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP COCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250169958 385598304 /nfs/dbraw/zinc/59/83/04/385598304.db2.gz LXNYVVLCWABEMQ-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250169958 385598310 /nfs/dbraw/zinc/59/83/10/385598310.db2.gz LXNYVVLCWABEMQ-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@]1(C)CCCO1 ZINC000309427431 385578668 /nfs/dbraw/zinc/57/86/68/385578668.db2.gz AXIVSYCWNMLWNJ-WCQYABFASA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+](CCN[C@H]1C[NH+](C)C[C@@H]1C)C1CC1 ZINC000309493203 385614434 /nfs/dbraw/zinc/61/44/34/385614434.db2.gz XSHOKEULVPPQDY-AAEUAGOBSA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH+](C)C[C@@H]1C)C1CC1 ZINC000309493203 385614439 /nfs/dbraw/zinc/61/44/39/385614439.db2.gz XSHOKEULVPPQDY-AAEUAGOBSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@H+](C)C[C@@H]1C)C1CC1 ZINC000309493203 385614445 /nfs/dbraw/zinc/61/44/45/385614445.db2.gz XSHOKEULVPPQDY-AAEUAGOBSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000309493203 385614450 /nfs/dbraw/zinc/61/44/50/385614450.db2.gz XSHOKEULVPPQDY-AAEUAGOBSA-N 2 1 225.380 1.010 20 0 BDADMP C[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000309495046 385615981 /nfs/dbraw/zinc/61/59/81/385615981.db2.gz KOQHNIIHGSJLJP-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(C)ccc1OC ZINC000414848792 385618786 /nfs/dbraw/zinc/61/87/86/385618786.db2.gz XJIQPAWDFUGDDW-GFCCVEGCSA-N 2 1 236.359 1.949 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000082645563 385627285 /nfs/dbraw/zinc/62/72/85/385627285.db2.gz HZUHCUBNNLRXTF-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000414850277 385632038 /nfs/dbraw/zinc/63/20/38/385632038.db2.gz IFCHUTVYZLAQSY-OLZOCXBDSA-N 2 1 233.359 1.868 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000336724096 385611843 /nfs/dbraw/zinc/61/18/43/385611843.db2.gz BAIVNXGAASJQIW-WUHRBBMRSA-N 2 1 226.364 1.220 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)C1CC1 ZINC000353108720 385644445 /nfs/dbraw/zinc/64/44/45/385644445.db2.gz IJQRNFCUODBGIL-ZDUSSCGKSA-N 2 1 249.358 1.256 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1CC1 ZINC000308984119 385680078 /nfs/dbraw/zinc/68/00/78/385680078.db2.gz GATGWQCTONSGRK-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1CC1 ZINC000308984119 385680084 /nfs/dbraw/zinc/68/00/84/385680084.db2.gz GATGWQCTONSGRK-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CC1CC1 ZINC000308984119 385680090 /nfs/dbraw/zinc/68/00/90/385680090.db2.gz GATGWQCTONSGRK-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CC1CC1 ZINC000308984119 385680097 /nfs/dbraw/zinc/68/00/97/385680097.db2.gz GATGWQCTONSGRK-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337537207 385699780 /nfs/dbraw/zinc/69/97/80/385699780.db2.gz HBFXDHRMAASFGH-MNOVXSKESA-N 2 1 248.317 1.831 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCOC1 ZINC000309580873 385714296 /nfs/dbraw/zinc/71/42/96/385714296.db2.gz QIGUBWUTYQDRQN-DGCLKSJQSA-N 2 1 224.348 1.263 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336692309 385734238 /nfs/dbraw/zinc/73/42/38/385734238.db2.gz HTLSNIJTGRWRGB-ZIAGYGMSSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336692309 385734243 /nfs/dbraw/zinc/73/42/43/385734243.db2.gz HTLSNIJTGRWRGB-ZIAGYGMSSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336692309 385734248 /nfs/dbraw/zinc/73/42/48/385734248.db2.gz HTLSNIJTGRWRGB-ZIAGYGMSSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336692309 385734253 /nfs/dbraw/zinc/73/42/53/385734253.db2.gz HTLSNIJTGRWRGB-ZIAGYGMSSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336692309 385734259 /nfs/dbraw/zinc/73/42/59/385734259.db2.gz HTLSNIJTGRWRGB-ZIAGYGMSSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]([NH2+]CCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763851 385734880 /nfs/dbraw/zinc/73/48/80/385734880.db2.gz CEPUASABVJAJSO-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCO[C@@H]12 ZINC000414859406 385741848 /nfs/dbraw/zinc/74/18/48/385741848.db2.gz AUYOGBHKKWYXRT-LPWJVIDDSA-N 2 1 236.359 1.286 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000309626351 385753380 /nfs/dbraw/zinc/75/33/80/385753380.db2.gz GOPSJNAPYYUDTH-UPJWGTAASA-N 2 1 228.380 1.874 20 0 BDADMP C[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309648206 385768363 /nfs/dbraw/zinc/76/83/63/385768363.db2.gz MZPKXGUHUDYNGI-XQQFMLRXSA-N 2 1 225.380 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309648206 385768366 /nfs/dbraw/zinc/76/83/66/385768366.db2.gz MZPKXGUHUDYNGI-XQQFMLRXSA-N 2 1 225.380 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309648206 385768371 /nfs/dbraw/zinc/76/83/71/385768371.db2.gz MZPKXGUHUDYNGI-XQQFMLRXSA-N 2 1 225.380 1.010 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309665072 385776866 /nfs/dbraw/zinc/77/68/66/385776866.db2.gz SXJQCWPLRJPNCF-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000336713149 385803454 /nfs/dbraw/zinc/80/34/54/385803454.db2.gz OFJQUJHLDSAAEO-MBNYWOFBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000336713149 385803459 /nfs/dbraw/zinc/80/34/59/385803459.db2.gz OFJQUJHLDSAAEO-MBNYWOFBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000336713149 385803462 /nfs/dbraw/zinc/80/34/62/385803462.db2.gz OFJQUJHLDSAAEO-MBNYWOFBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000336713149 385803465 /nfs/dbraw/zinc/80/34/65/385803465.db2.gz OFJQUJHLDSAAEO-MBNYWOFBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000394867176 385806343 /nfs/dbraw/zinc/80/63/43/385806343.db2.gz DCSRVYIDGBWYKE-VHSXEESVSA-N 2 1 220.307 1.962 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414948100 385806682 /nfs/dbraw/zinc/80/66/82/385806682.db2.gz XNNZSQOXYOCZSM-YPMHNXCESA-N 2 1 236.363 1.552 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H](COC)CC(C)C ZINC000414950615 385818516 /nfs/dbraw/zinc/81/85/16/385818516.db2.gz GDNUASDYHALGFZ-VXGBXAGGSA-N 2 1 216.369 1.635 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000412977986 385825602 /nfs/dbraw/zinc/82/56/02/385825602.db2.gz OLRSFUNAKCPWSH-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CC(C)Oc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414951211 385827955 /nfs/dbraw/zinc/82/79/55/385827955.db2.gz ITLWWMBPHUTCQD-NSHDSACASA-N 2 1 222.332 1.911 20 0 BDADMP CC[N@@H+](CCCn1ccnc1)CCOC ZINC000271898526 385858099 /nfs/dbraw/zinc/85/80/99/385858099.db2.gz GHFBQJRZLRNGLJ-UHFFFAOYSA-N 2 1 211.309 1.242 20 0 BDADMP C[C@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000128576742 385835495 /nfs/dbraw/zinc/83/54/95/385835495.db2.gz YPVXAYLRRFTJQM-WCQYABFASA-N 2 1 237.391 1.295 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CC[NH2+]1 ZINC000414955415 385836357 /nfs/dbraw/zinc/83/63/57/385836357.db2.gz UGPCPWJTMVDAMA-GXTWGEPZSA-N 2 1 247.386 1.983 20 0 BDADMP C[C@@H](C[NH3+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414944201 385789386 /nfs/dbraw/zinc/78/93/86/385789386.db2.gz NSMTXEWTVCRCMK-IPYPFGDCSA-N 2 1 247.386 1.444 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414961253 385883641 /nfs/dbraw/zinc/88/36/41/385883641.db2.gz YRGGMINVWWCHLM-UWVGGRQHSA-N 2 1 239.388 1.936 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122184010 385892516 /nfs/dbraw/zinc/89/25/16/385892516.db2.gz RWAIRJHDUJCTKK-GHMZBOCLSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@H](CN)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647843180 385892913 /nfs/dbraw/zinc/89/29/13/385892913.db2.gz BWOYIQOWKAQGFW-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP C[C@H](C[NH3+])N(C)CCCC1CC[NH2+]CC1 ZINC000647843180 385892918 /nfs/dbraw/zinc/89/29/18/385892918.db2.gz BWOYIQOWKAQGFW-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP CC1(C)CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000647852233 385903083 /nfs/dbraw/zinc/90/30/83/385903083.db2.gz OQJMBCVRELYNSG-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000647852233 385903088 /nfs/dbraw/zinc/90/30/88/385903088.db2.gz OQJMBCVRELYNSG-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP Cc1noc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)n1 ZINC000647811479 385863749 /nfs/dbraw/zinc/86/37/49/385863749.db2.gz WFJKAEGHCQBBNW-MRVPVSSYSA-N 2 1 224.308 1.110 20 0 BDADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000647815322 385867887 /nfs/dbraw/zinc/86/78/87/385867887.db2.gz ZIOLNLNRHNKAPC-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000353562694 385877450 /nfs/dbraw/zinc/87/74/50/385877450.db2.gz BMTVJIWCTBDVDF-GFCCVEGCSA-N 2 1 221.348 1.409 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000353562694 385877453 /nfs/dbraw/zinc/87/74/53/385877453.db2.gz BMTVJIWCTBDVDF-GFCCVEGCSA-N 2 1 221.348 1.409 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647836859 385881898 /nfs/dbraw/zinc/88/18/98/385881898.db2.gz JZDNNWFXXAZAOA-AWEZNQCLSA-N 3 1 239.407 1.308 20 0 BDADMP CCN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335019227 385977649 /nfs/dbraw/zinc/97/76/49/385977649.db2.gz LUKIJDIPZXASIT-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335019227 385977651 /nfs/dbraw/zinc/97/76/51/385977651.db2.gz LUKIJDIPZXASIT-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000335018956 385977926 /nfs/dbraw/zinc/97/79/26/385977926.db2.gz XYKURWZWBFPYOB-NFTFJBJSSA-N 2 1 236.281 1.915 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)c(F)c1 ZINC000414972619 385989007 /nfs/dbraw/zinc/98/90/07/385989007.db2.gz BACRQJHMPVXVLD-LLVKDONJSA-N 2 1 210.296 1.961 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414967959 385934219 /nfs/dbraw/zinc/93/42/19/385934219.db2.gz CDAOINICKFORQU-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414878168 385934583 /nfs/dbraw/zinc/93/45/83/385934583.db2.gz NXTQKIURUHKRDL-UPJWGTAASA-N 3 1 227.396 1.482 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000335043067 385935957 /nfs/dbraw/zinc/93/59/57/385935957.db2.gz MKCYULUBJMFPLT-MLGOLLRUSA-N 2 1 244.382 1.989 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414060132 385936356 /nfs/dbraw/zinc/93/63/56/385936356.db2.gz JBKLKXWHORIXLA-XQQFMLRXSA-N 2 1 228.380 1.589 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414060133 385937257 /nfs/dbraw/zinc/93/72/57/385937257.db2.gz JBKLKXWHORIXLA-YNEHKIRRSA-N 2 1 228.380 1.589 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000425399840 385948774 /nfs/dbraw/zinc/94/87/74/385948774.db2.gz FDGKFPTYVTURIR-AAEUAGOBSA-N 2 1 226.364 1.295 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000304326606 385953383 /nfs/dbraw/zinc/95/33/83/385953383.db2.gz CXXKEOUASYVYRY-RYUDHWBXSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000251475715 385954200 /nfs/dbraw/zinc/95/42/00/385954200.db2.gz FDYCDIQGHIIYFD-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1CCO ZINC000338313275 385963261 /nfs/dbraw/zinc/96/32/61/385963261.db2.gz DMRJVSDBEUKOBS-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CC[N@H+](CC[NH2+][C@H]1CCOC[C@@H]1C)C(C)C ZINC000336770040 385997506 /nfs/dbraw/zinc/99/75/06/385997506.db2.gz SSFCAUVHQDKQLC-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H]1CCOC[C@@H]1C)C(C)C ZINC000336770040 385997511 /nfs/dbraw/zinc/99/75/11/385997511.db2.gz SSFCAUVHQDKQLC-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CC1(C)C ZINC000336750367 386003711 /nfs/dbraw/zinc/00/37/11/386003711.db2.gz USMJNFBUNCOJDG-LOWVWBTDSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000336750367 386003715 /nfs/dbraw/zinc/00/37/15/386003715.db2.gz USMJNFBUNCOJDG-LOWVWBTDSA-N 2 1 226.364 1.077 20 0 BDADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414883578 386028595 /nfs/dbraw/zinc/02/85/95/386028595.db2.gz NLTIAEXAZDQHQW-ZIAGYGMSSA-N 2 1 218.344 1.959 20 0 BDADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000414196818 386035768 /nfs/dbraw/zinc/03/57/68/386035768.db2.gz WDYXFFHACJEEEC-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1c(F)cccc1F ZINC000414884887 386052137 /nfs/dbraw/zinc/05/21/37/386052137.db2.gz WMJGHDXZIXWBIK-QMMMGPOBSA-N 2 1 214.259 1.649 20 0 BDADMP [NH3+]CC1(CN2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000414662646 386103087 /nfs/dbraw/zinc/10/30/87/386103087.db2.gz ZLWHZOCEOBVYLV-CYBMUJFWSA-N 2 1 237.391 1.189 20 0 BDADMP COC1([C@@H](C)[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000414312640 386113245 /nfs/dbraw/zinc/11/32/45/386113245.db2.gz JLMCXDOWOHKVCY-LLVKDONJSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1cccc(OCC[N@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000647873424 386120612 /nfs/dbraw/zinc/12/06/12/386120612.db2.gz HSMRWAGDYLPBKI-CQSZACIVSA-N 2 1 248.370 1.915 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638587072 386058076 /nfs/dbraw/zinc/05/80/76/386058076.db2.gz AGMLMASJRAWZNR-YIYPIFLZSA-N 2 1 222.376 1.964 20 0 BDADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000414205996 386058780 /nfs/dbraw/zinc/05/87/80/386058780.db2.gz PPLOAJOSKVVVMT-AVGNSLFASA-N 2 1 228.380 1.589 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000414206001 386059210 /nfs/dbraw/zinc/05/92/10/386059210.db2.gz PPLOAJOSKVVVMT-YNEHKIRRSA-N 2 1 228.380 1.589 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336753531 386063828 /nfs/dbraw/zinc/06/38/28/386063828.db2.gz GXPPLVZSPYUQFS-MNOVXSKESA-N 2 1 212.337 1.261 20 0 BDADMP CC[N@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000414887762 386094946 /nfs/dbraw/zinc/09/49/46/386094946.db2.gz ZLHIHZWLKBTVNQ-RYUDHWBXSA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000414676373 386150718 /nfs/dbraw/zinc/15/07/18/386150718.db2.gz NEZXYDIWUDHEQX-CHWSQXEVSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000425482438 386152262 /nfs/dbraw/zinc/15/22/62/386152262.db2.gz QSJVNYVQWBFNBO-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336722763 386164497 /nfs/dbraw/zinc/16/44/97/386164497.db2.gz TVCZETOLZBOQGQ-ZDUSSCGKSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000414683104 386166258 /nfs/dbraw/zinc/16/62/58/386166258.db2.gz AQASNPJCKSUANA-NWDGAFQWSA-N 2 1 241.379 1.090 20 0 BDADMP CCc1nc(N[C@@H]2CCC[NH2+]CC2)cc(C)[nH+]1 ZINC000310276029 386173005 /nfs/dbraw/zinc/17/30/05/386173005.db2.gz TVSIMKVXETVPSQ-LLVKDONJSA-N 2 1 234.347 1.901 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)CC1(C)C ZINC000414691371 386189174 /nfs/dbraw/zinc/18/91/74/386189174.db2.gz BKBGKRSMMYZLFV-GFCCVEGCSA-N 2 1 227.396 1.386 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346086183 386140936 /nfs/dbraw/zinc/14/09/36/386140936.db2.gz IFMYMCVVWLVKAR-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346086183 386140943 /nfs/dbraw/zinc/14/09/43/386140943.db2.gz IFMYMCVVWLVKAR-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1(CO)CC1 ZINC000190028365 386142276 /nfs/dbraw/zinc/14/22/76/386142276.db2.gz QAOBTHAPPRDLEH-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1(CO)CC1 ZINC000190028365 386142280 /nfs/dbraw/zinc/14/22/80/386142280.db2.gz QAOBTHAPPRDLEH-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1(CO)CC1 ZINC000190028365 386142285 /nfs/dbraw/zinc/14/22/85/386142285.db2.gz QAOBTHAPPRDLEH-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP [NH3+]CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414704149 386213736 /nfs/dbraw/zinc/21/37/36/386213736.db2.gz JKJIFXOMVPDFIQ-GXTWGEPZSA-N 2 1 237.391 1.284 20 0 BDADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCC[NH3+])C1 ZINC000414712642 386229937 /nfs/dbraw/zinc/22/99/37/386229937.db2.gz UXCMPICJZYUFFE-MNOVXSKESA-N 2 1 216.394 1.941 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414715018 386234895 /nfs/dbraw/zinc/23/48/95/386234895.db2.gz VZGOORIKIVZLOX-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1occc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000414385346 386239893 /nfs/dbraw/zinc/23/98/93/386239893.db2.gz FEZVYFCEALJWPC-GFCCVEGCSA-N 2 1 222.332 1.972 20 0 BDADMP Cc1occc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000414385346 386239897 /nfs/dbraw/zinc/23/98/97/386239897.db2.gz FEZVYFCEALJWPC-GFCCVEGCSA-N 2 1 222.332 1.972 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000125288980 386241212 /nfs/dbraw/zinc/24/12/12/386241212.db2.gz GVAXNYAVRNFRIV-NWDGAFQWSA-N 2 1 214.353 1.484 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH2+]C)C2)CCO1 ZINC000347096315 386246934 /nfs/dbraw/zinc/24/69/34/386246934.db2.gz HTCHKTQXHWMFOQ-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414694875 386192918 /nfs/dbraw/zinc/19/29/18/386192918.db2.gz GIPCKADZWOFQNN-NEPJUHHUSA-N 2 1 242.363 1.387 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414694875 386192924 /nfs/dbraw/zinc/19/29/24/386192924.db2.gz GIPCKADZWOFQNN-NEPJUHHUSA-N 2 1 242.363 1.387 20 0 BDADMP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414694878 386193811 /nfs/dbraw/zinc/19/38/11/386193811.db2.gz GIPCKADZWOFQNN-VXGBXAGGSA-N 2 1 242.363 1.387 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414694878 386193817 /nfs/dbraw/zinc/19/38/17/386193817.db2.gz GIPCKADZWOFQNN-VXGBXAGGSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698165 386199575 /nfs/dbraw/zinc/19/95/75/386199575.db2.gz IQIKNZIIQVGANB-ZOBORPQBSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@@H](CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698165 386199579 /nfs/dbraw/zinc/19/95/79/386199579.db2.gz IQIKNZIIQVGANB-ZOBORPQBSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC000414729354 386282155 /nfs/dbraw/zinc/28/21/55/386282155.db2.gz DXVZOFREDYAVAZ-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@](C)(CN)C2)CC[NH2+]1 ZINC000414729354 386282160 /nfs/dbraw/zinc/28/21/60/386282160.db2.gz DXVZOFREDYAVAZ-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](C)(CN)C2)CC[NH2+]1 ZINC000414729354 386282165 /nfs/dbraw/zinc/28/21/65/386282165.db2.gz DXVZOFREDYAVAZ-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336662284 386282430 /nfs/dbraw/zinc/28/24/30/386282430.db2.gz JBBYBZVPGOBKGE-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336662284 386282432 /nfs/dbraw/zinc/28/24/32/386282432.db2.gz JBBYBZVPGOBKGE-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336662284 386282437 /nfs/dbraw/zinc/28/24/37/386282437.db2.gz JBBYBZVPGOBKGE-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335263311 386292297 /nfs/dbraw/zinc/29/22/97/386292297.db2.gz UTOJCKHDDZOWKL-NOZJJQNGSA-N 2 1 236.363 1.443 20 0 BDADMP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)ccn1 ZINC000647987988 386294401 /nfs/dbraw/zinc/29/44/01/386294401.db2.gz BRAQWEUERNQMIT-JSGCOSHPSA-N 2 1 231.343 1.828 20 0 BDADMP c1cc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)ccn1 ZINC000647987987 386294529 /nfs/dbraw/zinc/29/45/29/386294529.db2.gz BRAQWEUERNQMIT-GXTWGEPZSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000336193759 386295571 /nfs/dbraw/zinc/29/55/71/386295571.db2.gz JLUFRLBHIRSITO-LLVKDONJSA-N 2 1 247.342 1.202 20 0 BDADMP C[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000336193759 386295579 /nfs/dbraw/zinc/29/55/79/386295579.db2.gz JLUFRLBHIRSITO-LLVKDONJSA-N 2 1 247.342 1.202 20 0 BDADMP C[N@@H+](CCCn1ccnc1)Cc1ccc(F)cn1 ZINC000276282874 386296448 /nfs/dbraw/zinc/29/64/48/386296448.db2.gz UMFOAFQDCQGWOW-UHFFFAOYSA-N 2 1 248.305 1.939 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000091393702 386296555 /nfs/dbraw/zinc/29/65/55/386296555.db2.gz ZRHNBLGBOZTKMT-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000091393702 386296561 /nfs/dbraw/zinc/29/65/61/386296561.db2.gz ZRHNBLGBOZTKMT-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091394998 386297916 /nfs/dbraw/zinc/29/79/16/386297916.db2.gz IWSGTHNHLUFWDW-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091394998 386297921 /nfs/dbraw/zinc/29/79/21/386297921.db2.gz IWSGTHNHLUFWDW-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]1CO ZINC000414733917 386300128 /nfs/dbraw/zinc/30/01/28/386300128.db2.gz FEKCKFKGCZFGKV-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)CC[C@H](C)O)CC1 ZINC000336674052 386305106 /nfs/dbraw/zinc/30/51/06/386305106.db2.gz LAVGWBWCMSZGAF-LBPRGKRZSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000414735250 386310499 /nfs/dbraw/zinc/31/04/99/386310499.db2.gz GRFNKPJVHUFEME-OLZOCXBDSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)CC[NH2+]1 ZINC000414738236 386316837 /nfs/dbraw/zinc/31/68/37/386316837.db2.gz OZIVJDRQYZYFRZ-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP COC1(C)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336680011 386320522 /nfs/dbraw/zinc/32/05/22/386320522.db2.gz DKJZKMZLBZTIID-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000335262208 386323060 /nfs/dbraw/zinc/32/30/60/386323060.db2.gz RGLIHYZSIDUHLU-DGCLKSJQSA-N 2 1 219.332 1.620 20 0 BDADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884613 386263307 /nfs/dbraw/zinc/26/33/07/386263307.db2.gz OVRNUHMXWHTYTD-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884613 386263311 /nfs/dbraw/zinc/26/33/11/386263311.db2.gz OVRNUHMXWHTYTD-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[N@H+](Cc1cnc(C)cn1)C1CC[NH2+]CC1 ZINC000347156948 386264004 /nfs/dbraw/zinc/26/40/04/386264004.db2.gz DRACCEZMQFAUAN-UHFFFAOYSA-N 2 1 248.374 1.749 20 0 BDADMP CCC[N@@H+](Cc1cnc(C)cn1)C1CC[NH2+]CC1 ZINC000347156948 386264007 /nfs/dbraw/zinc/26/40/07/386264007.db2.gz DRACCEZMQFAUAN-UHFFFAOYSA-N 2 1 248.374 1.749 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000336656782 386274200 /nfs/dbraw/zinc/27/42/00/386274200.db2.gz MCHLRJKPUAPSIR-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000081066848 386277577 /nfs/dbraw/zinc/27/75/77/386277577.db2.gz XKMZXXWIVQBTLI-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336682777 386341954 /nfs/dbraw/zinc/34/19/54/386341954.db2.gz FDABTLCNCJDMGS-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000414746597 386346461 /nfs/dbraw/zinc/34/64/61/386346461.db2.gz SLFKVKJNSBQEQR-WOPDTQHZSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000414746597 386346468 /nfs/dbraw/zinc/34/64/68/386346468.db2.gz SLFKVKJNSBQEQR-WOPDTQHZSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000414745662 386351271 /nfs/dbraw/zinc/35/12/71/386351271.db2.gz PUUUFCVNMDVRKM-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000414745662 386351276 /nfs/dbraw/zinc/35/12/76/386351276.db2.gz PUUUFCVNMDVRKM-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269648 386353098 /nfs/dbraw/zinc/35/30/98/386353098.db2.gz LVWWGUHPCZWHLK-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCNC(C)(C)C2)CC[NH2+]1 ZINC000335270738 386355334 /nfs/dbraw/zinc/35/53/34/386355334.db2.gz RSSOVJCAQMEFSO-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@@H](CN2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC000335270738 386355338 /nfs/dbraw/zinc/35/53/38/386355338.db2.gz RSSOVJCAQMEFSO-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336732319 386386761 /nfs/dbraw/zinc/38/67/61/386386761.db2.gz ZJGASPQDDGYSEA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336732319 386386766 /nfs/dbraw/zinc/38/67/66/386386766.db2.gz ZJGASPQDDGYSEA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336732319 386386770 /nfs/dbraw/zinc/38/67/70/386386770.db2.gz ZJGASPQDDGYSEA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336732319 386386774 /nfs/dbraw/zinc/38/67/74/386386774.db2.gz ZJGASPQDDGYSEA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@@H]1CC[N@H+](CCCC(C)C)[C@@H](C[NH3+])C1 ZINC000165659400 386357032 /nfs/dbraw/zinc/35/70/32/386357032.db2.gz IBYFJYDFWCOTIU-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCCC(C)C)[C@@H](C[NH3+])C1 ZINC000165659400 386357035 /nfs/dbraw/zinc/35/70/35/386357035.db2.gz IBYFJYDFWCOTIU-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](C3CC3)C2)CC[NH2+]1 ZINC000414748038 386359045 /nfs/dbraw/zinc/35/90/45/386359045.db2.gz UBGTXONFJMMING-BZPMIXESSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C3CC3)C2)CC[NH2+]1 ZINC000414748045 386359900 /nfs/dbraw/zinc/35/99/00/386359900.db2.gz UBGTXONFJMMING-YRGRVCCFSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC2(C)COC2)CC[N@@H+]1C ZINC000336694969 386369922 /nfs/dbraw/zinc/36/99/22/386369922.db2.gz FLJZKTZBSCMZAK-VXGBXAGGSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC2(C)COC2)CC[N@H+]1C ZINC000336694969 386369927 /nfs/dbraw/zinc/36/99/27/386369927.db2.gz FLJZKTZBSCMZAK-VXGBXAGGSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC2(C)COC2)CC[NH+]1C ZINC000336694969 386369930 /nfs/dbraw/zinc/36/99/30/386369930.db2.gz FLJZKTZBSCMZAK-VXGBXAGGSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC2(C)COC2)CC[NH+]1C ZINC000336694969 386369935 /nfs/dbraw/zinc/36/99/35/386369935.db2.gz FLJZKTZBSCMZAK-VXGBXAGGSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCOC2)CC[N@@H+]1C ZINC000336690431 386372351 /nfs/dbraw/zinc/37/23/51/386372351.db2.gz AXDHVFYRKFFGIJ-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCOC2)CC[N@H+]1C ZINC000336690431 386372354 /nfs/dbraw/zinc/37/23/54/386372354.db2.gz AXDHVFYRKFFGIJ-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCOC2)CC[NH+]1C ZINC000336690431 386372357 /nfs/dbraw/zinc/37/23/57/386372357.db2.gz AXDHVFYRKFFGIJ-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCOC2)CC[NH+]1C ZINC000336690431 386372362 /nfs/dbraw/zinc/37/23/62/386372362.db2.gz AXDHVFYRKFFGIJ-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCCCCO ZINC000414750366 386372597 /nfs/dbraw/zinc/37/25/97/386372597.db2.gz XSYOBEMXBRTZON-GFCCVEGCSA-N 2 1 216.369 1.454 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000414906820 386372841 /nfs/dbraw/zinc/37/28/41/386372841.db2.gz AJOUDCROCBDLFR-WOPDTQHZSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@H]1C[C@H](O)C[N@H+]1Cc1cccc2nccn21 ZINC000334495052 386374351 /nfs/dbraw/zinc/37/43/51/386374351.db2.gz CRZQANCYCBXESO-JQWIXIFHSA-N 2 1 231.299 1.289 20 0 BDADMP CCn1nccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414903292 386337228 /nfs/dbraw/zinc/33/72/28/386337228.db2.gz LPQOEXZGCHTHPE-CYBMUJFWSA-N 2 1 236.363 1.382 20 0 BDADMP CCn1nccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414903293 386338830 /nfs/dbraw/zinc/33/88/30/386338830.db2.gz LPQOEXZGCHTHPE-ZDUSSCGKSA-N 2 1 236.363 1.382 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCOC2)C1 ZINC000336717887 386439324 /nfs/dbraw/zinc/43/93/24/386439324.db2.gz WOIBNVKBOIJSGD-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336717887 386439330 /nfs/dbraw/zinc/43/93/30/386439330.db2.gz WOIBNVKBOIJSGD-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336717887 386439335 /nfs/dbraw/zinc/43/93/35/386439335.db2.gz WOIBNVKBOIJSGD-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1(C)COC1 ZINC000336700027 386388259 /nfs/dbraw/zinc/38/82/59/386388259.db2.gz KXMIBHBGZFXXHF-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000647891610 386393014 /nfs/dbraw/zinc/39/30/14/386393014.db2.gz WYUWNEWKXQYPRZ-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000647891610 386393019 /nfs/dbraw/zinc/39/30/19/386393019.db2.gz WYUWNEWKXQYPRZ-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647990747 386393106 /nfs/dbraw/zinc/39/31/06/386393106.db2.gz BTECKEBVLRDDJU-QWHCGFSZSA-N 2 1 248.374 1.773 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336700317 386402245 /nfs/dbraw/zinc/40/22/45/386402245.db2.gz KTHQPJHZLJXTFS-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1O ZINC000414757890 386405691 /nfs/dbraw/zinc/40/56/91/386405691.db2.gz LXUYXGOCNIVZQT-FDYHWXHSSA-N 2 1 226.364 1.077 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647991142 386408002 /nfs/dbraw/zinc/40/80/02/386408002.db2.gz CFVMPPRQQIUDNI-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP COCC[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647991125 386408985 /nfs/dbraw/zinc/40/89/85/386408985.db2.gz AWJYLKWSHQQHQG-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC[C@H]2CCCO2)CC[NH2+]1 ZINC000414759967 386414664 /nfs/dbraw/zinc/41/46/64/386414664.db2.gz PMEINXCSWQWPLN-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cnn(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000336709558 386421224 /nfs/dbraw/zinc/42/12/24/386421224.db2.gz OLWWIDPCEFJAQE-CYBMUJFWSA-N 2 1 236.363 1.075 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000336709558 386421228 /nfs/dbraw/zinc/42/12/28/386421228.db2.gz OLWWIDPCEFJAQE-CYBMUJFWSA-N 2 1 236.363 1.075 20 0 BDADMP Cc1cc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000647991320 386422619 /nfs/dbraw/zinc/42/26/19/386422619.db2.gz ZIHIAWJRIIUGAA-LBPRGKRZSA-N 2 1 248.374 1.507 20 0 BDADMP CC[N@@H+](CCn1ccnc1C)C[C@H]1CCCO1 ZINC000336710303 386426575 /nfs/dbraw/zinc/42/65/75/386426575.db2.gz QNFLWJWSFYCZQC-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)C[C@H]1CCCO1 ZINC000336710303 386426576 /nfs/dbraw/zinc/42/65/76/386426576.db2.gz QNFLWJWSFYCZQC-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336710704 386426721 /nfs/dbraw/zinc/42/67/21/386426721.db2.gz LKOXHGATAWNKGG-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336710704 386426724 /nfs/dbraw/zinc/42/67/24/386426724.db2.gz LKOXHGATAWNKGG-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336710704 386426732 /nfs/dbraw/zinc/42/67/32/386426732.db2.gz LKOXHGATAWNKGG-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000399160967 386426892 /nfs/dbraw/zinc/42/68/92/386426892.db2.gz KTZIUJBFMMYFIE-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1CCCC[C@H]1C[N@H+](CC[NH3+])CCO ZINC000414912175 386466784 /nfs/dbraw/zinc/46/67/84/386466784.db2.gz JNNBGVCSKXSBPB-RYUDHWBXSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@H]1CCCC[C@H]1C[N@@H+](CC[NH3+])CCO ZINC000414912175 386466788 /nfs/dbraw/zinc/46/67/88/386466788.db2.gz JNNBGVCSKXSBPB-RYUDHWBXSA-N 2 1 214.353 1.066 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2ccnc(C)c2)CC1 ZINC000391182452 386468071 /nfs/dbraw/zinc/46/80/71/386468071.db2.gz URMOGFKHBCSNIA-UHFFFAOYSA-N 2 1 233.359 1.964 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[NH2+]1 ZINC000414775855 386475417 /nfs/dbraw/zinc/47/54/17/386475417.db2.gz WDSSGBXRWUARHV-MQYQWHSLSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[NH2+]1 ZINC000414775855 386475425 /nfs/dbraw/zinc/47/54/25/386475425.db2.gz WDSSGBXRWUARHV-MQYQWHSLSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415011106 386485647 /nfs/dbraw/zinc/48/56/47/386485647.db2.gz QDSCNCVDZODPLZ-BDAKNGLRSA-N 2 1 218.304 1.388 20 0 BDADMP CCC1(C[N@@H+](C)C2CC([NH3+])C2)CCOCC1 ZINC000414778541 386489858 /nfs/dbraw/zinc/48/98/58/386489858.db2.gz QHZNJNDGUUPTHI-UHFFFAOYSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000062053645 386490415 /nfs/dbraw/zinc/49/04/15/386490415.db2.gz KHOTZERNNRBJNQ-MFKMUULPSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000062053645 386490417 /nfs/dbraw/zinc/49/04/17/386490417.db2.gz KHOTZERNNRBJNQ-MFKMUULPSA-N 2 1 219.332 1.559 20 0 BDADMP CC[C@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000415052064 386508107 /nfs/dbraw/zinc/50/81/07/386508107.db2.gz GYOHNRHRPFXNSI-RNJOBUHISA-N 2 1 226.364 1.613 20 0 BDADMP Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1C ZINC000415032631 386519569 /nfs/dbraw/zinc/51/95/69/386519569.db2.gz GDZXDSQWVIUWNU-OAHLLOKOSA-N 2 1 248.370 1.772 20 0 BDADMP C[C@H](CC1CCCCC1)C[N@H+](CC[NH3+])CCO ZINC000414916018 386522318 /nfs/dbraw/zinc/52/23/18/386522318.db2.gz RUTFCMHKBDUPEI-CYBMUJFWSA-N 2 1 242.407 1.846 20 0 BDADMP C[C@H](CC1CCCCC1)C[N@@H+](CC[NH3+])CCO ZINC000414916018 386522323 /nfs/dbraw/zinc/52/23/23/386522323.db2.gz RUTFCMHKBDUPEI-CYBMUJFWSA-N 2 1 242.407 1.846 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000336754620 386523635 /nfs/dbraw/zinc/52/36/35/386523635.db2.gz FTHGAZVMTZZLOV-RWMBFGLXSA-N 2 1 228.380 1.587 20 0 BDADMP CCCN1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415043352 386530458 /nfs/dbraw/zinc/53/04/58/386530458.db2.gz RTRNRQFAOSUUDY-GXTWGEPZSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415036320 386524588 /nfs/dbraw/zinc/52/45/88/386524588.db2.gz JQXVAYYJMQOUMT-AWEZNQCLSA-N 2 1 234.343 1.463 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@H](CN)C1CC1 ZINC000647973465 386524967 /nfs/dbraw/zinc/52/49/67/386524967.db2.gz GCYRORANTIBVST-CQSZACIVSA-N 2 1 239.407 1.435 20 0 BDADMP CN(CCCC1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000647973465 386524978 /nfs/dbraw/zinc/52/49/78/386524978.db2.gz GCYRORANTIBVST-CQSZACIVSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)(C)NCC[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415041684 386527139 /nfs/dbraw/zinc/52/71/39/386527139.db2.gz QBQKSLSFVQTYAE-WDEREUQCSA-N 2 1 213.369 1.092 20 0 BDADMP CC(C)(C)[NH2+]CCN[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415041684 386527144 /nfs/dbraw/zinc/52/71/44/386527144.db2.gz QBQKSLSFVQTYAE-WDEREUQCSA-N 2 1 213.369 1.092 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)C(C)(C)C)CCN1C ZINC000336724057 386456514 /nfs/dbraw/zinc/45/65/14/386456514.db2.gz ZCFBERSSHCRDSF-UPJWGTAASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C(C)(C)C)CC[N@@H+]1C ZINC000336724057 386456518 /nfs/dbraw/zinc/45/65/18/386456518.db2.gz ZCFBERSSHCRDSF-UPJWGTAASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C(C)(C)C)CC[N@H+]1C ZINC000336724057 386456521 /nfs/dbraw/zinc/45/65/21/386456521.db2.gz ZCFBERSSHCRDSF-UPJWGTAASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C(C)(C)C)CC[NH+]1C ZINC000336724057 386456527 /nfs/dbraw/zinc/45/65/27/386456527.db2.gz ZCFBERSSHCRDSF-UPJWGTAASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)C(C)(C)C)CC[NH+]1C ZINC000336724057 386456529 /nfs/dbraw/zinc/45/65/29/386456529.db2.gz ZCFBERSSHCRDSF-UPJWGTAASA-N 2 1 242.407 1.808 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000336725913 386461629 /nfs/dbraw/zinc/46/16/29/386461629.db2.gz RRRNVPLGXLRUAC-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP CCc1cc(OC)ccc1C[NH2+][C@H](C)C[NH3+] ZINC000414921421 386583876 /nfs/dbraw/zinc/58/38/76/386583876.db2.gz BFQABSWAJLPPHV-SNVBAGLBSA-N 2 1 222.332 1.694 20 0 BDADMP CC(C)CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789764 386537932 /nfs/dbraw/zinc/53/79/32/386537932.db2.gz YXMZENIVBNMOCL-CYBMUJFWSA-N 2 1 240.391 1.720 20 0 BDADMP Oc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000335459725 386541017 /nfs/dbraw/zinc/54/10/17/386541017.db2.gz CHZVNDKCBUNDIZ-CQSZACIVSA-N 2 1 232.327 1.579 20 0 BDADMP CCCC1CCC(C[N@@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000415067970 386551953 /nfs/dbraw/zinc/55/19/53/386551953.db2.gz LVZXWHUSCJYTBU-JXQTWKCFSA-N 2 1 242.407 1.844 20 0 BDADMP COc1ccccc1C1([NH2+]C[C@@H]2CC[NH2+]C2)CC1 ZINC000647996321 386572045 /nfs/dbraw/zinc/57/20/45/386572045.db2.gz SDSISQVIRTTWKU-GFCCVEGCSA-N 2 1 246.354 1.883 20 0 BDADMP C[C@@H]([NH2+]CCC[NH3+])c1nc2c(s1)CCC2 ZINC000415116161 386630242 /nfs/dbraw/zinc/63/02/42/386630242.db2.gz VVHOZINCDVGLTO-MRVPVSSYSA-N 2 1 225.361 1.631 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCC(C)(C)C(=O)OC ZINC000415129000 386634849 /nfs/dbraw/zinc/63/48/49/386634849.db2.gz TWVIDIBNIXKQGV-UHFFFAOYSA-N 2 1 230.352 1.117 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300990150 386636076 /nfs/dbraw/zinc/63/60/76/386636076.db2.gz LNAATQAWGVTGSO-GRYCIOLGSA-N 2 1 228.380 1.872 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300990150 386636088 /nfs/dbraw/zinc/63/60/88/386636088.db2.gz LNAATQAWGVTGSO-GRYCIOLGSA-N 2 1 228.380 1.872 20 0 BDADMP c1ccc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000415082483 386599506 /nfs/dbraw/zinc/59/95/06/386599506.db2.gz LVLLWFPZUDDECQ-KGLIPLIRSA-N 2 1 245.370 1.464 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1cnccc1C ZINC000414805593 386603608 /nfs/dbraw/zinc/60/36/08/386603608.db2.gz GTVXKRKVOWEHME-UHFFFAOYSA-N 2 1 221.348 1.997 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cn1cccn1 ZINC000414807251 386618713 /nfs/dbraw/zinc/61/87/13/386618713.db2.gz CKDNNJVDXLCMQZ-RYUDHWBXSA-N 2 1 224.352 1.379 20 0 BDADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000414926795 386673154 /nfs/dbraw/zinc/67/31/54/386673154.db2.gz KYANXPBBAVGBEQ-STQMWFEESA-N 2 1 240.391 1.781 20 0 BDADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000414926793 386673637 /nfs/dbraw/zinc/67/36/37/386673637.db2.gz KYANXPBBAVGBEQ-OLZOCXBDSA-N 2 1 240.391 1.781 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000414823920 386680231 /nfs/dbraw/zinc/68/02/31/386680231.db2.gz JEELUHPYBJSVKQ-ZDUSSCGKSA-N 2 1 234.343 1.362 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414927161 386682878 /nfs/dbraw/zinc/68/28/78/386682878.db2.gz LJUFRBHWBFWJER-NXEZZACHSA-N 2 1 210.296 1.866 20 0 BDADMP Cc1cn[nH]c1CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000352834775 386681865 /nfs/dbraw/zinc/68/18/65/386681865.db2.gz JFUSYHDDZHBNIO-RYUDHWBXSA-N 2 1 236.363 1.681 20 0 BDADMP CC[C@@H](C)[C@H](C)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357079851 386711097 /nfs/dbraw/zinc/71/10/97/386711097.db2.gz LPMCUGVRVLDIMR-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCOCC[NH3+] ZINC000357077013 386711683 /nfs/dbraw/zinc/71/16/83/386711683.db2.gz IZONBHGLFBAUFS-UKRRQHHQSA-N 2 1 248.370 1.840 20 0 BDADMP COc1c(O)cccc1C[NH2+]CC[C@H](C)[NH3+] ZINC000414825685 386691842 /nfs/dbraw/zinc/69/18/42/386691842.db2.gz UECOQVSLJDICBF-VIFPVBQESA-N 2 1 224.304 1.228 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000414830391 386707936 /nfs/dbraw/zinc/70/79/36/386707936.db2.gz CCMJFZJXRBCKEH-SECBINFHSA-N 2 1 228.286 1.910 20 0 BDADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCOCC[NH3+] ZINC000357068165 386708558 /nfs/dbraw/zinc/70/85/58/386708558.db2.gz DKMIEJZDGVGLDH-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414837947 386736906 /nfs/dbraw/zinc/73/69/06/386736906.db2.gz HOXRATYLTPNFBE-UHFFFAOYSA-N 2 1 236.363 1.480 20 0 BDADMP CC(C)C[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357089471 386714301 /nfs/dbraw/zinc/71/43/01/386714301.db2.gz UGBHOKDZMWXEFB-CYBMUJFWSA-N 2 1 228.380 1.862 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000414840336 386740091 /nfs/dbraw/zinc/74/00/91/386740091.db2.gz NBRLQQCGKGJXRV-GFCCVEGCSA-N 3 1 241.423 1.694 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H](N)c1ccccc1 ZINC000414836926 386730241 /nfs/dbraw/zinc/73/02/41/386730241.db2.gz TUOCJMXRTYOALJ-AWEZNQCLSA-N 2 1 244.342 1.816 20 0 BDADMP CC[NH2+]CC[NH2+]C1CCC(OC)CC1 ZINC000414840705 386751702 /nfs/dbraw/zinc/75/17/02/386751702.db2.gz HAYBXMUMBZGWEH-UHFFFAOYSA-N 2 1 200.326 1.143 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166224344 386765053 /nfs/dbraw/zinc/76/50/53/386765053.db2.gz KRSCNJXARALWMJ-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP COC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)C ZINC000336761489 386765795 /nfs/dbraw/zinc/76/57/95/386765795.db2.gz KOIIQQSHFBUTNO-ZDUSSCGKSA-N 2 1 226.364 1.509 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414843668 386766651 /nfs/dbraw/zinc/76/66/51/386766651.db2.gz KCZZMUDGEZTKCJ-NEPJUHHUSA-N 2 1 214.353 1.389 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414931863 386767089 /nfs/dbraw/zinc/76/70/89/386767089.db2.gz RYHJOQDADPZMRC-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP CC(C)[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269254144 386767176 /nfs/dbraw/zinc/76/71/76/386767176.db2.gz IPANDHSXXXQPEN-LLVKDONJSA-N 2 1 236.319 1.069 20 0 BDADMP COC1CCC([NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC000414838947 386743400 /nfs/dbraw/zinc/74/34/00/386743400.db2.gz KZZCYZQEYZGSIP-CPCZMJQVSA-N 2 1 228.380 1.907 20 0 BDADMP CC[C@](C)(CCO)[NH2+]CC[NH2+]C(C)(C)C ZINC000228637449 386776428 /nfs/dbraw/zinc/77/64/28/386776428.db2.gz FGIFEZHFFDOQCK-GFCCVEGCSA-N 2 1 216.369 1.515 20 0 BDADMP [NH3+]CCC[N@H+](CC1CCCC1)C[C@H]1CC[NH2+]C1 ZINC000647965997 386796455 /nfs/dbraw/zinc/79/64/55/386796455.db2.gz DEZKGAOBQOCADO-AWEZNQCLSA-N 3 1 239.407 1.437 20 0 BDADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1CC[NH2+]C1 ZINC000647965997 386796463 /nfs/dbraw/zinc/79/64/63/386796463.db2.gz DEZKGAOBQOCADO-AWEZNQCLSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414934411 386801033 /nfs/dbraw/zinc/80/10/33/386801033.db2.gz UOXDZBLAWCWTFJ-GFCCVEGCSA-N 2 1 233.359 1.592 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000316625174 259696686 /nfs/dbraw/zinc/69/66/86/259696686.db2.gz SCSRSGMHLPTSDF-WCFLWFBJSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)n1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000336672592 386825755 /nfs/dbraw/zinc/82/57/55/386825755.db2.gz BFYCVQSMWKXCQP-LBPRGKRZSA-N 2 1 238.379 1.751 20 0 BDADMP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000414935868 386826909 /nfs/dbraw/zinc/82/69/09/386826909.db2.gz UTIKIPYWKOLSDX-IUODEOHRSA-N 2 1 247.386 1.910 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(O)c1OC ZINC000414847410 386830071 /nfs/dbraw/zinc/83/00/71/386830071.db2.gz VUKQIIMZSKMWOI-JTQLQIEISA-N 2 1 238.331 1.346 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)CO ZINC000293547823 386836971 /nfs/dbraw/zinc/83/69/71/386836971.db2.gz YRAUDLBOEFZDIR-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)CO ZINC000293547823 386836979 /nfs/dbraw/zinc/83/69/79/386836979.db2.gz YRAUDLBOEFZDIR-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000334787874 386849311 /nfs/dbraw/zinc/84/93/11/386849311.db2.gz YPSNOVMPDQIKDL-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH3+])C[C@H]1C ZINC000414938975 386866493 /nfs/dbraw/zinc/86/64/93/386866493.db2.gz FTICLBCDIAWVBB-WRWGMCAJSA-N 2 1 242.363 1.291 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH3+])C[C@H]1C ZINC000414938974 386867233 /nfs/dbraw/zinc/86/72/33/386867233.db2.gz FTICLBCDIAWVBB-NOOOWODRSA-N 2 1 242.363 1.291 20 0 BDADMP C[C@H](CCC(F)(F)F)[NH2+]C[C@H](O)C[NH+](C)C ZINC000336744580 386867937 /nfs/dbraw/zinc/86/79/37/386867937.db2.gz QGMCYXMSDVDCPT-BDAKNGLRSA-N 2 1 242.285 1.230 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1F ZINC000334832905 386871044 /nfs/dbraw/zinc/87/10/44/386871044.db2.gz HRMUPKZUPKEHIS-PJXYFTJBSA-N 2 1 220.291 1.442 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000334832895 386871117 /nfs/dbraw/zinc/87/11/17/386871117.db2.gz HJMWHQUQUOFAIZ-PJXYFTJBSA-N 2 1 220.291 1.442 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@H]3CCOC3)C2)n1 ZINC000335747808 386871818 /nfs/dbraw/zinc/87/18/18/386871818.db2.gz FMKJNQYARVQHKM-VXGBXAGGSA-N 2 1 235.331 1.626 20 0 BDADMP Clc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000334833575 386872297 /nfs/dbraw/zinc/87/22/97/386872297.db2.gz QNCIPMLWYJLOLJ-GDNZZTSVSA-N 2 1 222.719 1.647 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000300043890 386882499 /nfs/dbraw/zinc/88/24/99/386882499.db2.gz ZVGPINTUKXLBDV-GHMZBOCLSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000300043890 386882506 /nfs/dbraw/zinc/88/25/06/386882506.db2.gz ZVGPINTUKXLBDV-GHMZBOCLSA-N 2 1 200.326 1.081 20 0 BDADMP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358161266 386902518 /nfs/dbraw/zinc/90/25/18/386902518.db2.gz FPJVRACXSQGDDR-HNNXBMFYSA-N 2 1 248.370 1.405 20 0 BDADMP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358161266 386902522 /nfs/dbraw/zinc/90/25/22/386902522.db2.gz FPJVRACXSQGDDR-HNNXBMFYSA-N 2 1 248.370 1.405 20 0 BDADMP CC[C@H](CO)[N@H+](C)CCCn1cc[nH+]c1C ZINC000293915213 386904009 /nfs/dbraw/zinc/90/40/09/386904009.db2.gz OSVOBEAIYZUIHF-GFCCVEGCSA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000293915213 386904010 /nfs/dbraw/zinc/90/40/10/386904010.db2.gz OSVOBEAIYZUIHF-GFCCVEGCSA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000358168292 386904687 /nfs/dbraw/zinc/90/46/87/386904687.db2.gz NETXQKLBQMYKKG-HZSPNIEDSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+]1CCCC12CCN(Cc1c[nH]cn1)CC2 ZINC000334856893 386909662 /nfs/dbraw/zinc/90/96/62/386909662.db2.gz IBFQQWJIOPYMGV-UHFFFAOYSA-N 2 1 234.347 1.470 20 0 BDADMP C[N@@H+]1CCCC12CCN(Cc1cnc[nH]1)CC2 ZINC000334856893 386909666 /nfs/dbraw/zinc/90/96/66/386909666.db2.gz IBFQQWJIOPYMGV-UHFFFAOYSA-N 2 1 234.347 1.470 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358263116 386924535 /nfs/dbraw/zinc/92/45/35/386924535.db2.gz XJFNSTGRNQORIU-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358263116 386924537 /nfs/dbraw/zinc/92/45/37/386924537.db2.gz XJFNSTGRNQORIU-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334868486 386926680 /nfs/dbraw/zinc/92/66/80/386926680.db2.gz KJVZTVXRZYCAQO-GXTWGEPZSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334868486 386926683 /nfs/dbraw/zinc/92/66/83/386926683.db2.gz KJVZTVXRZYCAQO-GXTWGEPZSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cc(O)cc(F)c2)CC[NH2+]1 ZINC000334871092 386930677 /nfs/dbraw/zinc/93/06/77/386930677.db2.gz XVBPQLZREIEDHQ-JOYOIKCWSA-N 2 1 238.306 1.761 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417886013 386936018 /nfs/dbraw/zinc/93/60/18/386936018.db2.gz VKNLISGVEGAXJN-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000332345059 386972366 /nfs/dbraw/zinc/97/23/66/386972366.db2.gz OGLQDHUGMKQGRF-MGPQQGTHSA-N 2 1 239.407 1.626 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534991 387050190 /nfs/dbraw/zinc/05/01/90/387050190.db2.gz KXQJBTXWDOJBHO-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCC2)CC[N@@H+]1C ZINC000359077101 387053193 /nfs/dbraw/zinc/05/31/93/387053193.db2.gz XUMISZBBYKKXTA-BNOWGMLFSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCC2)CC[N@H+]1C ZINC000359077101 387053198 /nfs/dbraw/zinc/05/31/98/387053198.db2.gz XUMISZBBYKKXTA-BNOWGMLFSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000228037042 387062079 /nfs/dbraw/zinc/06/20/79/387062079.db2.gz DHJZECHXPNMWAW-RWMBFGLXSA-N 2 1 226.364 1.364 20 0 BDADMP NC[C@H]1c2ccccc2CC[N@H+]1CC1CC1 ZINC000019929463 387063946 /nfs/dbraw/zinc/06/39/46/387063946.db2.gz NIGWUWKHQLYCOZ-AWEZNQCLSA-N 2 1 216.328 1.955 20 0 BDADMP NC[C@H]1c2ccccc2CC[N@@H+]1CC1CC1 ZINC000019929463 387063949 /nfs/dbraw/zinc/06/39/49/387063949.db2.gz NIGWUWKHQLYCOZ-AWEZNQCLSA-N 2 1 216.328 1.955 20 0 BDADMP CC[C@@H](NC(=O)[C@H]1CCCN1C)c1ncc[nH]1 ZINC000331294492 387010727 /nfs/dbraw/zinc/01/07/27/387010727.db2.gz YCWKUKOHJGJZBV-NXEZZACHSA-N 2 1 236.319 1.071 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCOC2)CC[NH2+]1 ZINC000398890664 387012686 /nfs/dbraw/zinc/01/26/86/387012686.db2.gz MQLWUQHKMKDAMC-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000126353336 387016424 /nfs/dbraw/zinc/01/64/24/387016424.db2.gz NEKKISLGMGJKGR-VXGBXAGGSA-N 2 1 249.358 1.581 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@H]1CCCC[NH2+]1 ZINC000333344068 387028904 /nfs/dbraw/zinc/02/89/04/387028904.db2.gz YTPWISBWASLALW-KGYLQXTDSA-N 2 1 248.374 1.387 20 0 BDADMP CC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766718 387071050 /nfs/dbraw/zinc/07/10/50/387071050.db2.gz OLKZROSAKHJZHS-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766718 387071052 /nfs/dbraw/zinc/07/10/52/387071052.db2.gz OLKZROSAKHJZHS-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCOCC1 ZINC000118942443 387080420 /nfs/dbraw/zinc/08/04/20/387080420.db2.gz VSHUZUQVZKJONP-RISCZKNCSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000334994656 387086363 /nfs/dbraw/zinc/08/63/63/387086363.db2.gz FVSFWSAMQVSCMG-OAHLLOKOSA-N 2 1 245.370 1.884 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000334994656 387086367 /nfs/dbraw/zinc/08/63/67/387086367.db2.gz FVSFWSAMQVSCMG-OAHLLOKOSA-N 2 1 245.370 1.884 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCOCC(F)F)CC[N@H+]1C ZINC000188744146 387087474 /nfs/dbraw/zinc/08/74/74/387087474.db2.gz RNUAPQAQWMJXAQ-ZJUUUORDSA-N 2 1 236.306 1.340 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)n1 ZINC000334998181 387090879 /nfs/dbraw/zinc/09/08/79/387090879.db2.gz LRLKSWCDCCFAGP-QMTHXVAHSA-N 2 1 233.359 1.868 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)n1 ZINC000334998181 387090882 /nfs/dbraw/zinc/09/08/82/387090882.db2.gz LRLKSWCDCCFAGP-QMTHXVAHSA-N 2 1 233.359 1.868 20 0 BDADMP Oc1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000334997956 387090978 /nfs/dbraw/zinc/09/09/78/387090978.db2.gz JRFRHPBOKPZDED-GFCCVEGCSA-N 2 1 246.354 1.750 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cccc2c1OCCO2 ZINC000228395215 387093687 /nfs/dbraw/zinc/09/36/87/387093687.db2.gz OXANQCYPZYZZIE-UHFFFAOYSA-N 2 1 236.315 1.157 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250349729 387114945 /nfs/dbraw/zinc/11/49/45/387114945.db2.gz IWSGTHNHLUFWDW-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000250349729 387114947 /nfs/dbraw/zinc/11/49/47/387114947.db2.gz IWSGTHNHLUFWDW-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025566 387116576 /nfs/dbraw/zinc/11/65/76/387116576.db2.gz SQQMBRRMZRTWJE-CHWSQXEVSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025566 387116583 /nfs/dbraw/zinc/11/65/83/387116583.db2.gz SQQMBRRMZRTWJE-CHWSQXEVSA-N 2 1 239.407 1.306 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CC2C[NH2+]C2)c(C)o1 ZINC000423306176 387141892 /nfs/dbraw/zinc/14/18/92/387141892.db2.gz SGUKJDAMNQBECT-SECBINFHSA-N 2 1 208.305 1.766 20 0 BDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423308051 387143005 /nfs/dbraw/zinc/14/30/05/387143005.db2.gz XESKAVZPDHICPE-QMMMGPOBSA-N 2 1 226.270 1.835 20 0 BDADMP CCOc1ccccc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423307380 387143166 /nfs/dbraw/zinc/14/31/66/387143166.db2.gz VUZOJEAZMDAMLS-LLVKDONJSA-N 2 1 234.343 1.955 20 0 BDADMP CCC[NH2+]CCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423309927 387145667 /nfs/dbraw/zinc/14/56/67/387145667.db2.gz MPHOIDWJNFUNLY-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000459631832 387146054 /nfs/dbraw/zinc/14/60/54/387146054.db2.gz KSEZDVZKHZGETA-XDQVBPFNSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccncc1 ZINC000423320273 387161028 /nfs/dbraw/zinc/16/10/28/387161028.db2.gz MHWAQQBJQIDJAV-BXKDBHETSA-N 2 1 205.305 1.470 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423320318 387161440 /nfs/dbraw/zinc/16/14/40/387161440.db2.gz GDYSCGZHHLSZPZ-JRKPZEMJSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccncc1 ZINC000423320277 387162795 /nfs/dbraw/zinc/16/27/95/387162795.db2.gz MHWAQQBJQIDJAV-SKDRFNHKSA-N 2 1 205.305 1.470 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C12CCCC2 ZINC000423327528 387170595 /nfs/dbraw/zinc/17/05/95/387170595.db2.gz NJLTZGNLRMHOSQ-GRYCIOLGSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423327766 387170882 /nfs/dbraw/zinc/17/08/82/387170882.db2.gz NSTRIYKBGKSPJE-GMTAPVOTSA-N 2 1 202.317 1.842 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206380 387171590 /nfs/dbraw/zinc/17/15/90/387171590.db2.gz YKWZUJDMYMDDDV-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccncc1 ZINC000423330922 387174754 /nfs/dbraw/zinc/17/47/54/387174754.db2.gz UJZOBTHFBDITPP-STQMWFEESA-N 2 1 219.332 1.860 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000571819724 387177091 /nfs/dbraw/zinc/17/70/91/387177091.db2.gz INLPEMMZFZMTSE-NSHDSACASA-N 2 1 246.358 1.698 20 0 BDADMP CCOC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] ZINC000423342922 387193804 /nfs/dbraw/zinc/19/38/04/387193804.db2.gz ZLYMLSZBCMQBAE-OUAUKWLOSA-N 2 1 200.326 1.128 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)Cn1cncn1 ZINC000423299985 387132667 /nfs/dbraw/zinc/13/26/67/387132667.db2.gz QRAKFLKCVNZTLX-NWDGAFQWSA-N 2 1 239.367 1.164 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](COC)C(C)C ZINC000423301505 387134428 /nfs/dbraw/zinc/13/44/28/387134428.db2.gz UBAIWGXLKPRYAV-RYUDHWBXSA-N 2 1 216.369 1.765 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000120558227 387192148 /nfs/dbraw/zinc/19/21/48/387192148.db2.gz RIHRZFMKVFOOIS-QWHCGFSZSA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@@H](C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000120558227 387192154 /nfs/dbraw/zinc/19/21/54/387192154.db2.gz RIHRZFMKVFOOIS-QWHCGFSZSA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@@H](C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000120558227 387192157 /nfs/dbraw/zinc/19/21/57/387192157.db2.gz RIHRZFMKVFOOIS-QWHCGFSZSA-N 2 1 228.380 1.543 20 0 BDADMP C[C@]12C[C@H]1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423303059 387137596 /nfs/dbraw/zinc/13/75/96/387137596.db2.gz KXFAFMNQTGPHSP-VOAKCMCISA-N 2 1 208.349 1.907 20 0 BDADMP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000423352997 387205632 /nfs/dbraw/zinc/20/56/32/387205632.db2.gz AVWDARTWAMRFSA-OLZOCXBDSA-N 2 1 236.363 1.603 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1(O)CCC1 ZINC000353486364 387211353 /nfs/dbraw/zinc/21/13/53/387211353.db2.gz XRFYNDYQBXWZPO-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1(O)CCC1 ZINC000353486364 387211355 /nfs/dbraw/zinc/21/13/55/387211355.db2.gz XRFYNDYQBXWZPO-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1(O)CCC1 ZINC000353486364 387211358 /nfs/dbraw/zinc/21/13/58/387211358.db2.gz XRFYNDYQBXWZPO-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1(O)CCC1 ZINC000353486365 387212808 /nfs/dbraw/zinc/21/28/08/387212808.db2.gz XRFYNDYQBXWZPO-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1(O)CCC1 ZINC000353486365 387212813 /nfs/dbraw/zinc/21/28/13/387212813.db2.gz XRFYNDYQBXWZPO-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1(O)CCC1 ZINC000353486365 387212816 /nfs/dbraw/zinc/21/28/16/387212816.db2.gz XRFYNDYQBXWZPO-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423364922 387214959 /nfs/dbraw/zinc/21/49/59/387214959.db2.gz KDURKZSJVJKYHS-WUHRBBMRSA-N 2 1 226.364 1.519 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353491986 387215723 /nfs/dbraw/zinc/21/57/23/387215723.db2.gz MBKXNEGTQOYFMW-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423362872 387216042 /nfs/dbraw/zinc/21/60/42/387216042.db2.gz ILEDWMWURYAKEZ-GZBFAFLISA-N 2 1 247.386 1.586 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365931 387217356 /nfs/dbraw/zinc/21/73/56/387217356.db2.gz CFFKMOJDJLFMHK-SFTQSGBHSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365931 387217364 /nfs/dbraw/zinc/21/73/64/387217364.db2.gz CFFKMOJDJLFMHK-SFTQSGBHSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCCOC1 ZINC000423365181 387218260 /nfs/dbraw/zinc/21/82/60/387218260.db2.gz PIDKNLGRHFSXKI-XQHKEYJVSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cnn(C)c1 ZINC000423325817 387228989 /nfs/dbraw/zinc/22/89/89/387228989.db2.gz JVAKEXLIFQHOSJ-YPMHNXCESA-N 2 1 236.363 1.460 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cnn(C)c1 ZINC000423325477 387230181 /nfs/dbraw/zinc/23/01/81/387230181.db2.gz JVAKEXLIFQHOSJ-AAEUAGOBSA-N 2 1 236.363 1.460 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423326747 387233215 /nfs/dbraw/zinc/23/32/15/387233215.db2.gz MWYRAZAVODOAID-ZJUUUORDSA-N 2 1 220.316 1.715 20 0 BDADMP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000423403614 387239551 /nfs/dbraw/zinc/23/95/51/387239551.db2.gz YQXCHVDGZGMPDU-FMSGJZPZSA-N 2 1 237.391 1.342 20 0 BDADMP N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423415254 387248498 /nfs/dbraw/zinc/24/84/98/387248498.db2.gz AKDNJIBSLQVRKF-FDYHWXHSSA-N 2 1 225.380 1.221 20 0 BDADMP C[C@@H](N[C@@H](C)CCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000423425476 387252204 /nfs/dbraw/zinc/25/22/04/387252204.db2.gz GUSFZPZFMTXWLU-QJPTWQEYSA-N 2 1 213.369 1.234 20 0 BDADMP CCCN1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423345109 387194993 /nfs/dbraw/zinc/19/49/93/387194993.db2.gz NPNFCWHRAIUXAY-UHFFFAOYSA-N 2 1 237.391 1.370 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccnn1C ZINC000423344997 387195562 /nfs/dbraw/zinc/19/55/62/387195562.db2.gz OQKIGCFTEMZUEX-YPMHNXCESA-N 2 1 236.363 1.460 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)[C@@H]1C ZINC000423468027 387314961 /nfs/dbraw/zinc/31/49/61/387314961.db2.gz FCCKQEYEZLZNSA-DBIOUOCHSA-N 2 1 232.318 1.865 20 0 BDADMP COCC1CCC([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000423380246 387263063 /nfs/dbraw/zinc/26/30/63/387263063.db2.gz NLZXMYLYHCQJFW-RYSNWHEDSA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423382809 387265379 /nfs/dbraw/zinc/26/53/79/387265379.db2.gz PDTOFDBIQURVPR-UMSGYPCISA-N 2 1 225.380 1.057 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]([NH3+])C2CCC2)cc[nH+]1 ZINC000423434076 387286452 /nfs/dbraw/zinc/28/64/52/387286452.db2.gz NTKHYRUXVMXCOB-GFCCVEGCSA-N 2 1 248.330 1.214 20 0 BDADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OC)c1 ZINC000423438227 387288692 /nfs/dbraw/zinc/28/86/92/387288692.db2.gz QYPUWPZHILOMGQ-LJISPDSOSA-N 2 1 246.354 1.954 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)OCO2 ZINC000423447110 387298077 /nfs/dbraw/zinc/29/80/77/387298077.db2.gz ZJKGPQFPMUJGFW-GJTWSCIVSA-N 2 1 246.310 1.284 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423454250 387301873 /nfs/dbraw/zinc/30/18/73/387301873.db2.gz BYPBILJPSJKJLE-RQJABVFESA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423454250 387301876 /nfs/dbraw/zinc/30/18/76/387301876.db2.gz BYPBILJPSJKJLE-RQJABVFESA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)C[N@H+]1C1CC1 ZINC000643501581 387356862 /nfs/dbraw/zinc/35/68/62/387356862.db2.gz LLYREGGCYPXKEL-AGIUHOORSA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423530784 387357946 /nfs/dbraw/zinc/35/79/46/387357946.db2.gz ZFDOAMVSMHDQDZ-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1C ZINC000423532934 387358564 /nfs/dbraw/zinc/35/85/64/387358564.db2.gz SDNCKAHMPLRZGQ-BNOWGMLFSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H](NC1CCC([NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000423540191 387366384 /nfs/dbraw/zinc/36/63/84/387366384.db2.gz DANGXGYTRMELAL-BLYZHGLHSA-N 2 1 239.407 1.589 20 0 BDADMP CC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423544187 387367585 /nfs/dbraw/zinc/36/75/85/387367585.db2.gz IDKJNXQLLCLMLM-REWJHTLYSA-N 2 1 240.391 1.779 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000423542912 387368178 /nfs/dbraw/zinc/36/81/78/387368178.db2.gz BKUZAMIDBJSDFE-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H](NCCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423546086 387370810 /nfs/dbraw/zinc/37/08/10/387370810.db2.gz YNYUIEOMOZBFDN-KGLIPLIRSA-N 2 1 237.391 1.416 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000423498389 387340089 /nfs/dbraw/zinc/34/00/89/387340089.db2.gz BRUVPHDPHSZMDD-UPJWGTAASA-N 2 1 243.370 1.008 20 0 BDADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CCOC1 ZINC000423505085 387343427 /nfs/dbraw/zinc/34/34/27/387343427.db2.gz HEPQYKVVIYAXRL-MELADBBJSA-N 2 1 240.391 1.909 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423770400 387420826 /nfs/dbraw/zinc/42/08/26/387420826.db2.gz HKDIGEMHYABWTE-QJPTWQEYSA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@@H](C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304631504 387497540 /nfs/dbraw/zinc/49/75/40/387497540.db2.gz VNLNKVRYLZYWCN-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396846550 387500683 /nfs/dbraw/zinc/50/06/83/387500683.db2.gz HECIXRUTPKRIIL-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396875269 387507986 /nfs/dbraw/zinc/50/79/86/387507986.db2.gz IDYSRUKDVUCKCJ-GFCCVEGCSA-N 2 1 228.380 1.874 20 0 BDADMP CC[NH+](CC)CCN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375215795 387516093 /nfs/dbraw/zinc/51/60/93/387516093.db2.gz PQNXBDVMSVAEAF-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000425364868 387526384 /nfs/dbraw/zinc/52/63/84/387526384.db2.gz ZSKDZBOBSHFZKA-CYZMBNFOSA-N 2 1 240.416 1.954 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000643506288 387466167 /nfs/dbraw/zinc/46/61/67/387466167.db2.gz QZFWTWMABQTAOI-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471054 387477929 /nfs/dbraw/zinc/47/79/29/387477929.db2.gz QZSNHBWHQYFBBN-RVMXOQNASA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCSCC1 ZINC000643507638 387479612 /nfs/dbraw/zinc/47/96/12/387479612.db2.gz LJFKRXFTANHVFA-SNVBAGLBSA-N 2 1 228.405 1.860 20 0 BDADMP CCC1(O)CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000643474197 387488286 /nfs/dbraw/zinc/48/82/86/387488286.db2.gz NHMKRRRDZUILEO-AHPWVWPOSA-N 2 1 240.391 1.658 20 0 BDADMP c1cn(CC[N@H+]2CCCO[C@H]3CCC[C@@H]32)cn1 ZINC000362181339 387582403 /nfs/dbraw/zinc/58/24/03/387582403.db2.gz RPQIYCDJIBHTKJ-STQMWFEESA-N 2 1 235.331 1.527 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000643510607 387582613 /nfs/dbraw/zinc/58/26/13/387582613.db2.gz WUTSQBKFBZKDKN-CMPLNLGQSA-N 2 1 236.363 1.758 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422561433 387601997 /nfs/dbraw/zinc/60/19/97/387601997.db2.gz LETNTBNWMFHIAI-WCQGTBRESA-N 2 1 236.363 1.523 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422561433 387602002 /nfs/dbraw/zinc/60/20/02/387602002.db2.gz LETNTBNWMFHIAI-WCQGTBRESA-N 2 1 236.363 1.523 20 0 BDADMP CC[C@@H](NCC[N@@H+](C)CC)[C@@H]1CCCC[NH2+]1 ZINC000422716811 387629251 /nfs/dbraw/zinc/62/92/51/387629251.db2.gz NXEXZOUMPJPEIV-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP CC(C)OCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422631878 387610750 /nfs/dbraw/zinc/61/07/50/387610750.db2.gz GAEADGUEKHVZAC-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422689967 387612452 /nfs/dbraw/zinc/61/24/52/387612452.db2.gz FXYAAHOYWNKHGE-NWDGAFQWSA-N 2 1 248.374 1.487 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@@H+](C)C1CCCCC1 ZINC000422702321 387617633 /nfs/dbraw/zinc/61/76/33/387617633.db2.gz KKSWEHPGISGPOT-OLZOCXBDSA-N 2 1 241.423 1.966 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000422702760 387617843 /nfs/dbraw/zinc/61/78/43/387617843.db2.gz LMTGLPPQSXWPNA-AVGNSLFASA-N 2 1 226.364 1.676 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422702411 387618560 /nfs/dbraw/zinc/61/85/60/387618560.db2.gz FCFKSADYZMOJRN-UBHSHLNASA-N 2 1 242.407 1.904 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422707202 387620734 /nfs/dbraw/zinc/62/07/34/387620734.db2.gz GSTHYIVRRXRSJG-KBPBESRZSA-N 2 1 241.423 1.696 20 0 BDADMP CCCCN(C)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422707202 387620739 /nfs/dbraw/zinc/62/07/39/387620739.db2.gz GSTHYIVRRXRSJG-KBPBESRZSA-N 2 1 241.423 1.696 20 0 BDADMP CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422709678 387622602 /nfs/dbraw/zinc/62/26/02/387622602.db2.gz ZOEIHLXNVLFOSA-WOPDTQHZSA-N 2 1 241.379 1.021 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000430537815 387625149 /nfs/dbraw/zinc/62/51/49/387625149.db2.gz HXSOEDTZCCEANX-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP CN(CC[NH2+][C@](C)(C[NH3+])C1CC1)c1ccccc1 ZINC000430548003 387626809 /nfs/dbraw/zinc/62/68/09/387626809.db2.gz LUTZYNJUBXYTGF-OAHLLOKOSA-N 2 1 247.386 1.840 20 0 BDADMP C[N@H+](C/C=C\c1ccncc1)C[C@H]1CC[NH+](C)C1 ZINC000426168151 387546941 /nfs/dbraw/zinc/54/69/41/387546941.db2.gz XYVVEFSUGNBQHN-ABCZVMIZSA-N 2 1 245.370 1.978 20 0 BDADMP C[N@@H+](C/C=C\c1ccncc1)C[C@H]1CC[NH+](C)C1 ZINC000426168151 387546944 /nfs/dbraw/zinc/54/69/44/387546944.db2.gz XYVVEFSUGNBQHN-ABCZVMIZSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C/C=C\c1ccncc1)C[C@H]1CC[N@H+](C)C1 ZINC000426168151 387546946 /nfs/dbraw/zinc/54/69/46/387546946.db2.gz XYVVEFSUGNBQHN-ABCZVMIZSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C/C=C\c1ccncc1)C[C@H]1CC[N@@H+](C)C1 ZINC000426168151 387546948 /nfs/dbraw/zinc/54/69/48/387546948.db2.gz XYVVEFSUGNBQHN-ABCZVMIZSA-N 2 1 245.370 1.978 20 0 BDADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000305107253 387553355 /nfs/dbraw/zinc/55/33/55/387553355.db2.gz DKTIDKJKMRVGAO-OSAQELSMSA-N 2 1 248.370 1.432 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000305119117 387555862 /nfs/dbraw/zinc/55/58/62/387555862.db2.gz JAVFHMGPNPNBGJ-ODXJTPSBSA-N 2 1 242.407 1.712 20 0 BDADMP C[C@@H]1[C@H](C)C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000399588421 387556831 /nfs/dbraw/zinc/55/68/31/387556831.db2.gz JUBYIHHUBNDEQW-NRWUCQMLSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@@H]1[C@H](C)C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000399588421 387556834 /nfs/dbraw/zinc/55/68/34/387556834.db2.gz JUBYIHHUBNDEQW-NRWUCQMLSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@@H]1[C@H](C)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000399588421 387556837 /nfs/dbraw/zinc/55/68/37/387556837.db2.gz JUBYIHHUBNDEQW-NRWUCQMLSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@@H]1[C@H](C)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000399588421 387556840 /nfs/dbraw/zinc/55/68/40/387556840.db2.gz JUBYIHHUBNDEQW-NRWUCQMLSA-N 2 1 240.391 1.418 20 0 BDADMP CC(C)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000305164051 387566525 /nfs/dbraw/zinc/56/65/25/387566525.db2.gz XVDZVAPSAQFHPA-UONOGXRCSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000422716670 387627857 /nfs/dbraw/zinc/62/78/57/387627857.db2.gz UYNQRBPDFCYSIN-CHWSQXEVSA-N 3 1 239.407 1.306 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C12CCC2 ZINC000422790758 387694586 /nfs/dbraw/zinc/69/45/86/387694586.db2.gz XUVFNLYPMKQYQT-QJPTWQEYSA-N 2 1 224.348 1.286 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422724545 387632592 /nfs/dbraw/zinc/63/25/92/387632592.db2.gz VYQDRJDHWBNTRY-CHWSQXEVSA-N 3 1 236.363 1.299 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000422720979 387632704 /nfs/dbraw/zinc/63/27/04/387632704.db2.gz NARVEVKYKJGRKB-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430603645 387633792 /nfs/dbraw/zinc/63/37/92/387633792.db2.gz YYNGPXZZDYSEJR-NSHDSACASA-N 2 1 243.395 1.158 20 0 BDADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430603645 387633794 /nfs/dbraw/zinc/63/37/94/387633794.db2.gz YYNGPXZZDYSEJR-NSHDSACASA-N 2 1 243.395 1.158 20 0 BDADMP CCCCOCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422726192 387635680 /nfs/dbraw/zinc/63/56/80/387635680.db2.gz DJWADCDJRKRCMO-OLZOCXBDSA-N 2 1 228.380 1.781 20 0 BDADMP CCOCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422724652 387636106 /nfs/dbraw/zinc/63/61/06/387636106.db2.gz WJGLCWOEBPPIJP-RYUDHWBXSA-N 2 1 214.353 1.391 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422734113 387641690 /nfs/dbraw/zinc/64/16/90/387641690.db2.gz RVPNQQLFZLPQKH-IUODEOHRSA-N 2 1 248.370 1.825 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000422735974 387643084 /nfs/dbraw/zinc/64/30/84/387643084.db2.gz FRONCIKYHXQGFU-DCAQKATOSA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000422735974 387643087 /nfs/dbraw/zinc/64/30/87/387643087.db2.gz FRONCIKYHXQGFU-DCAQKATOSA-N 2 1 213.369 1.185 20 0 BDADMP C[N@H+](CCOCC1CC1)CC[C@H]1CCC[NH+]1C ZINC000125208537 387645879 /nfs/dbraw/zinc/64/58/79/387645879.db2.gz AZCNLOLQBGTXKD-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCOCC1CC1)CC[C@H]1CCC[NH+]1C ZINC000125208537 387645882 /nfs/dbraw/zinc/64/58/82/387645882.db2.gz AZCNLOLQBGTXKD-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCOCC1CC1)CC[C@H]1CCC[N@@H+]1C ZINC000125208537 387645886 /nfs/dbraw/zinc/64/58/86/387645886.db2.gz AZCNLOLQBGTXKD-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCOCC1CC1)CC[C@H]1CCC[N@H+]1C ZINC000125208537 387645891 /nfs/dbraw/zinc/64/58/91/387645891.db2.gz AZCNLOLQBGTXKD-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCO1)c1c[nH+]ccc1N ZINC000422740894 387647400 /nfs/dbraw/zinc/64/74/00/387647400.db2.gz CMLKNIJSCCQSKA-VHSXEESVSA-N 2 1 221.304 1.324 20 0 BDADMP COCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422741874 387647508 /nfs/dbraw/zinc/64/75/08/387647508.db2.gz FISJDTVNCMAWBO-AAEUAGOBSA-N 2 1 222.332 1.181 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422745443 387648902 /nfs/dbraw/zinc/64/89/02/387648902.db2.gz VEENQLOZTAADBS-MCIONIFRSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H](CN[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000422747237 387651100 /nfs/dbraw/zinc/65/11/00/387651100.db2.gz YDXHFJXXLXOMHQ-NTZNESFSSA-N 2 1 225.380 1.057 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422750022 387655178 /nfs/dbraw/zinc/65/51/78/387655178.db2.gz BWNLKYZSSVDVQQ-JHJVBQTASA-N 2 1 228.380 1.922 20 0 BDADMP COc1ccccc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422756017 387659181 /nfs/dbraw/zinc/65/91/81/387659181.db2.gz IPNZJYQVTYKQOX-GXTWGEPZSA-N 2 1 248.370 1.825 20 0 BDADMP C[C@@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000430918483 387661461 /nfs/dbraw/zinc/66/14/61/387661461.db2.gz NEJRHVROUONIPJ-UKRRQHHQSA-N 2 1 247.386 1.792 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422760286 387663254 /nfs/dbraw/zinc/66/32/54/387663254.db2.gz LSTBEVCNVXFLBY-RYUDHWBXSA-N 2 1 214.353 1.389 20 0 BDADMP CSCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422766413 387664728 /nfs/dbraw/zinc/66/47/28/387664728.db2.gz XETLYGJCXGMRIA-MNOVXSKESA-N 2 1 216.394 1.717 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000422763454 387666155 /nfs/dbraw/zinc/66/61/55/387666155.db2.gz JAMORPZUMQVIIR-GHMZBOCLSA-N 2 1 232.331 1.550 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422781137 387680092 /nfs/dbraw/zinc/68/00/92/387680092.db2.gz KLEOGUYBUDWRIY-NWDGAFQWSA-N 3 1 227.396 1.576 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422781138 387680472 /nfs/dbraw/zinc/68/04/72/387680472.db2.gz KLEOGUYBUDWRIY-RYUDHWBXSA-N 3 1 227.396 1.576 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C12CCC2 ZINC000422790760 387692757 /nfs/dbraw/zinc/69/27/57/387692757.db2.gz XUVFNLYPMKQYQT-SDDRHHMPSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000422791339 387693575 /nfs/dbraw/zinc/69/35/75/387693575.db2.gz UVKRDNVKSVLHNS-CHWSQXEVSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)C1CC1 ZINC000422744730 387693978 /nfs/dbraw/zinc/69/39/78/387693978.db2.gz UCECSMOOQJSHIY-ACJTYDJDSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862090 387743754 /nfs/dbraw/zinc/74/37/54/387743754.db2.gz NJVMRFHSXYPWOY-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000643525335 387743903 /nfs/dbraw/zinc/74/39/03/387743903.db2.gz XCNIBFKJNFUTQM-XQHKEYJVSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422861984 387744787 /nfs/dbraw/zinc/74/47/87/387744787.db2.gz PGOBPEAJEDUIBY-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422861984 387744793 /nfs/dbraw/zinc/74/47/93/387744793.db2.gz PGOBPEAJEDUIBY-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)OCO2 ZINC000643526214 387749414 /nfs/dbraw/zinc/74/94/14/387749414.db2.gz UWHQFHGREIYBIB-DTWKUNHWSA-N 2 1 222.288 1.413 20 0 BDADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CCOC1 ZINC000128596033 387750004 /nfs/dbraw/zinc/75/00/04/387750004.db2.gz XEMWZAOQWCZMSF-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OC ZINC000643525711 387753123 /nfs/dbraw/zinc/75/31/23/387753123.db2.gz CIYWAOZYKDSZIL-NXEZZACHSA-N 2 1 238.331 1.702 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422876216 387753960 /nfs/dbraw/zinc/75/39/60/387753960.db2.gz FHHXSCIQAKZTKP-STQMWFEESA-N 2 1 227.396 1.576 20 0 BDADMP CC[N@@H+](CCN[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422876910 387754175 /nfs/dbraw/zinc/75/41/75/387754175.db2.gz GRKZTBBYPVUQPH-WDEREUQCSA-N 2 1 213.369 1.186 20 0 BDADMP CCN(CC[NH2+][C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422876910 387754180 /nfs/dbraw/zinc/75/41/80/387754180.db2.gz GRKZTBBYPVUQPH-WDEREUQCSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000157155455 387754779 /nfs/dbraw/zinc/75/47/79/387754779.db2.gz OLVGMQRJMPQBKO-IUCAKERBSA-N 2 1 224.270 1.869 20 0 BDADMP CCc1cnc(C[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000422796947 387700056 /nfs/dbraw/zinc/70/00/56/387700056.db2.gz ZPDPCRMQXLVOII-DTWKUNHWSA-N 2 1 227.377 1.921 20 0 BDADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422802271 387703503 /nfs/dbraw/zinc/70/35/03/387703503.db2.gz DFJCNJNQJMAIQQ-HZSPNIEDSA-N 2 1 242.407 1.619 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000422805749 387704349 /nfs/dbraw/zinc/70/43/49/387704349.db2.gz HHTYTDZCYACAHY-WOPDTQHZSA-N 2 1 228.380 1.778 20 0 BDADMP COCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422806863 387705435 /nfs/dbraw/zinc/70/54/35/387705435.db2.gz NZNGIQFJAODQNQ-ZIAGYGMSSA-N 2 1 234.343 1.802 20 0 BDADMP Cc1csc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000422805776 387706410 /nfs/dbraw/zinc/70/64/10/387706410.db2.gz HKVPVQKIELYZIJ-YUMQZZPRSA-N 2 1 213.350 1.667 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000045107832 387707421 /nfs/dbraw/zinc/70/74/21/387707421.db2.gz JNDJICDSFUGCLY-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCCC2 ZINC000422808625 387708932 /nfs/dbraw/zinc/70/89/32/387708932.db2.gz QLVYJTMSYWWPDI-JHJVBQTASA-N 2 1 238.375 1.676 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000422811681 387710916 /nfs/dbraw/zinc/71/09/16/387710916.db2.gz VCQIMHKEIWPKIW-XQQFMLRXSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000643520999 387711700 /nfs/dbraw/zinc/71/17/00/387711700.db2.gz WZJFPQVFGLMQFH-MBNYWOFBSA-N 3 1 239.407 1.304 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422818473 387715634 /nfs/dbraw/zinc/71/56/34/387715634.db2.gz GJTOXGKDVLVTQD-KGLIPLIRSA-N 2 1 241.423 1.839 20 0 BDADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000422821575 387716863 /nfs/dbraw/zinc/71/68/63/387716863.db2.gz XDHXDNYZFONJJY-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000422822447 387717459 /nfs/dbraw/zinc/71/74/59/387717459.db2.gz KAQVNFHSLCHDCP-TUAOUCFPSA-N 2 1 245.436 1.139 20 0 BDADMP COCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422878066 387755592 /nfs/dbraw/zinc/75/55/92/387755592.db2.gz IURDVDTZLMPTFB-GHMZBOCLSA-N 2 1 200.326 1.001 20 0 BDADMP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000422838640 387728327 /nfs/dbraw/zinc/72/83/27/387728327.db2.gz XWFRVWWYAAYKOE-VXGBXAGGSA-N 2 1 234.347 1.117 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000422847145 387735585 /nfs/dbraw/zinc/73/55/85/387735585.db2.gz HLOIFJBDCWGSRZ-WRWGMCAJSA-N 2 1 226.364 1.530 20 0 BDADMP Cc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1C ZINC000128091750 387737916 /nfs/dbraw/zinc/73/79/16/387737916.db2.gz VHVBRZWURZTJIU-UONOGXRCSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1C ZINC000128091750 387737920 /nfs/dbraw/zinc/73/79/20/387737920.db2.gz VHVBRZWURZTJIU-UONOGXRCSA-N 2 1 248.374 1.445 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000422853095 387738680 /nfs/dbraw/zinc/73/86/80/387738680.db2.gz RWFQBRYXJILWAS-WUHRBBMRSA-N 2 1 240.391 1.920 20 0 BDADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527148 387763747 /nfs/dbraw/zinc/76/37/47/387763747.db2.gz DFCJSZOYKAPMBZ-ZWNOBZJWSA-N 2 1 204.317 1.919 20 0 BDADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527546 387766616 /nfs/dbraw/zinc/76/66/16/387766616.db2.gz OIHXSPNHSKNMMI-UFBFGSQYSA-N 2 1 238.306 1.758 20 0 BDADMP CCOCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422897698 387766805 /nfs/dbraw/zinc/76/68/05/387766805.db2.gz KECIZCFCYVIARC-SECBINFHSA-N 2 1 209.293 1.181 20 0 BDADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643528826 387772044 /nfs/dbraw/zinc/77/20/44/387772044.db2.gz PRMPHFBKTINGBO-CBAPKCEASA-N 2 1 225.361 1.766 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000422916906 387772954 /nfs/dbraw/zinc/77/29/54/387772954.db2.gz BWZRWSDJRZSLOM-VWYCJHECSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000643529123 387773848 /nfs/dbraw/zinc/77/38/48/387773848.db2.gz VOSKHCDVILHTRF-RYUDHWBXSA-N 2 1 244.342 1.870 20 0 BDADMP COC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432357874 387784557 /nfs/dbraw/zinc/78/45/57/387784557.db2.gz NLEAAWUVOCWBOG-OLZOCXBDSA-N 2 1 244.379 1.112 20 0 BDADMP COC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432357874 387784560 /nfs/dbraw/zinc/78/45/60/387784560.db2.gz NLEAAWUVOCWBOG-OLZOCXBDSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422903630 387787660 /nfs/dbraw/zinc/78/76/60/387787660.db2.gz OQHBDOKJWHFESR-FVCCEPFGSA-N 2 1 226.364 1.532 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422977961 387789394 /nfs/dbraw/zinc/78/93/94/387789394.db2.gz YCSPWTSFLOUIPL-RWMBFGLXSA-N 2 1 227.396 1.434 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422977961 387789397 /nfs/dbraw/zinc/78/93/97/387789397.db2.gz YCSPWTSFLOUIPL-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422977961 387789402 /nfs/dbraw/zinc/78/94/02/387789402.db2.gz YCSPWTSFLOUIPL-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422978917 387790138 /nfs/dbraw/zinc/79/01/38/387790138.db2.gz KYTRLIOKZBQMQH-TUAOUCFPSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCOC2)CC[N@H+]1C ZINC000527929297 387794388 /nfs/dbraw/zinc/79/43/88/387794388.db2.gz PKMASZMFVRPQQS-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCOC)CC1 ZINC000157446940 387795837 /nfs/dbraw/zinc/79/58/37/387795837.db2.gz JKFIMZAGNZNGRT-UHFFFAOYSA-N 2 1 200.326 1.049 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCOC)CC1 ZINC000157446940 387795843 /nfs/dbraw/zinc/79/58/43/387795843.db2.gz JKFIMZAGNZNGRT-UHFFFAOYSA-N 2 1 200.326 1.049 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000527975239 387813157 /nfs/dbraw/zinc/81/31/57/387813157.db2.gz SKACMEXZNXQANE-MRTXSQPYSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422991479 387800397 /nfs/dbraw/zinc/80/03/97/387800397.db2.gz BFBZNVQDVJFTDB-UTUOFQBUSA-N 2 1 228.380 1.514 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)[nH]n1 ZINC000422993702 387803325 /nfs/dbraw/zinc/80/33/25/387803325.db2.gz TZIXQLOLTMLZKM-GAFUQQFSSA-N 2 1 236.363 1.379 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n[nH]1 ZINC000422993702 387803328 /nfs/dbraw/zinc/80/33/28/387803328.db2.gz TZIXQLOLTMLZKM-GAFUQQFSSA-N 2 1 236.363 1.379 20 0 BDADMP C[C@@H]([NH2+]CC1(CCO)CCC1)c1c[nH+]ccc1N ZINC000422994340 387803518 /nfs/dbraw/zinc/80/35/18/387803518.db2.gz VBXGWRQZUYUODS-LLVKDONJSA-N 2 1 249.358 1.697 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423001008 387805635 /nfs/dbraw/zinc/80/56/35/387805635.db2.gz HHBGGLGPODRGTQ-UPJWGTAASA-N 2 1 242.407 1.760 20 0 BDADMP COC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(C)o1 ZINC000423001194 387805656 /nfs/dbraw/zinc/80/56/56/387805656.db2.gz DEQCLDHDKSJEMG-UMNHJUIQSA-N 2 1 240.347 1.991 20 0 BDADMP COc1cccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423001892 387805685 /nfs/dbraw/zinc/80/56/85/387805685.db2.gz FDVNOUSWUPPACJ-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000422882462 387757577 /nfs/dbraw/zinc/75/75/77/387757577.db2.gz SIRKYMFUGKFYFP-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[N@H+](C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422880425 387757759 /nfs/dbraw/zinc/75/77/59/387757759.db2.gz OBCGODZNFONGFB-MNOVXSKESA-N 2 1 201.358 1.042 20 0 BDADMP CC(C)N(C)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422880425 387757762 /nfs/dbraw/zinc/75/77/62/387757762.db2.gz OBCGODZNFONGFB-MNOVXSKESA-N 2 1 201.358 1.042 20 0 BDADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422975086 387823380 /nfs/dbraw/zinc/82/33/80/387823380.db2.gz SHROYWZXLZCQRG-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1c[nH+]ccc1N ZINC000423003364 387826840 /nfs/dbraw/zinc/82/68/40/387826840.db2.gz HPEYWQPUOHELLB-QJPTWQEYSA-N 2 1 249.358 1.696 20 0 BDADMP C[C@@H]([NH2+]CCc1ccncc1)c1c[nH+]ccc1N ZINC000423005876 387827925 /nfs/dbraw/zinc/82/79/25/387827925.db2.gz NKGQPLXVASRJSB-LLVKDONJSA-N 2 1 242.326 1.782 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423006491 387829302 /nfs/dbraw/zinc/82/93/02/387829302.db2.gz VMGPRXOFCUMDMZ-AGIUHOORSA-N 2 1 242.407 1.617 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000423017909 387841515 /nfs/dbraw/zinc/84/15/15/387841515.db2.gz PWDBAAFEYBHZCA-BDAKNGLRSA-N 2 1 227.739 1.950 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423019519 387841809 /nfs/dbraw/zinc/84/18/09/387841809.db2.gz WBDWZJIHOWWTOI-QNWHQSFQSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@H]([NH2+][C@H](CO)CC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423032807 387848216 /nfs/dbraw/zinc/84/82/16/387848216.db2.gz YRRRVMHYUVBCIV-UBHSHLNASA-N 2 1 240.391 1.658 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423038797 387854120 /nfs/dbraw/zinc/85/41/20/387854120.db2.gz PCHZKHFUSLQBTD-UONOGXRCSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000423043124 387854552 /nfs/dbraw/zinc/85/45/52/387854552.db2.gz NIXROLVWNAJPLG-VOAKCMCISA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000423043121 387856215 /nfs/dbraw/zinc/85/62/15/387856215.db2.gz NIXROLVWNAJPLG-CYDGBPFRSA-N 2 1 226.364 1.674 20 0 BDADMP COc1ncccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193638786 387859721 /nfs/dbraw/zinc/85/97/21/387859721.db2.gz XUWZOADRYYTYKE-BETUJISGSA-N 2 1 247.342 1.084 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000527974813 387813775 /nfs/dbraw/zinc/81/37/75/387813775.db2.gz PLNMPGXTBXXCCO-DGAVXFQQSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC000194539420 387890814 /nfs/dbraw/zinc/89/08/14/387890814.db2.gz MCZKIKLFKAQWFA-MELADBBJSA-N 2 1 220.360 1.836 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC000194539420 387890818 /nfs/dbraw/zinc/89/08/18/387890818.db2.gz MCZKIKLFKAQWFA-MELADBBJSA-N 2 1 220.360 1.836 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC000194539420 387890824 /nfs/dbraw/zinc/89/08/24/387890824.db2.gz MCZKIKLFKAQWFA-MELADBBJSA-N 2 1 220.360 1.836 20 0 BDADMP CC(C)SCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423107600 387891901 /nfs/dbraw/zinc/89/19/01/387891901.db2.gz LCFIJIPFBKMLMZ-MNOVXSKESA-N 2 1 216.394 1.716 20 0 BDADMP C[C@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085180 387879057 /nfs/dbraw/zinc/87/90/57/387879057.db2.gz JYAFECFJMMQXIN-AAEUAGOBSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085180 387879061 /nfs/dbraw/zinc/87/90/61/387879061.db2.gz JYAFECFJMMQXIN-AAEUAGOBSA-N 2 1 239.407 1.304 20 0 BDADMP CC[C@@H]([NH2+]CCc1cnccn1)[C@H]1CCCC[NH2+]1 ZINC000423085602 387881018 /nfs/dbraw/zinc/88/10/18/387881018.db2.gz KWTTUAVXMHSCCO-ZIAGYGMSSA-N 2 1 248.374 1.529 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423104222 387888556 /nfs/dbraw/zinc/88/85/56/387888556.db2.gz GWGVPDXYXLOEDS-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP CCCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423104222 387888560 /nfs/dbraw/zinc/88/85/60/387888560.db2.gz GWGVPDXYXLOEDS-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP CCSCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423102886 387888714 /nfs/dbraw/zinc/88/87/14/387888714.db2.gz AGEMRSLMHZAMBN-GHMZBOCLSA-N 2 1 216.394 1.717 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](OC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423140538 387918953 /nfs/dbraw/zinc/91/89/53/387918953.db2.gz YXQHFLCJFPDRGG-AGIUHOORSA-N 2 1 226.364 1.532 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423115941 387899437 /nfs/dbraw/zinc/89/94/37/387899437.db2.gz ZBXBHQWHMJXBMF-YNEHKIRRSA-N 2 1 225.380 1.330 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423140283 387919191 /nfs/dbraw/zinc/91/91/91/387919191.db2.gz MFLANNUNQYODGV-ZNSHCXBVSA-N 2 1 200.326 1.140 20 0 BDADMP CC[C@@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCC[NH2+]1 ZINC000423124743 387903058 /nfs/dbraw/zinc/90/30/58/387903058.db2.gz OZHKDGPDUFORPE-NEPJUHHUSA-N 2 1 222.336 1.072 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423125479 387905972 /nfs/dbraw/zinc/90/59/72/387905972.db2.gz QQCSRWJZINVWKG-QWHCGFSZSA-N 3 1 229.412 1.824 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423125479 387905975 /nfs/dbraw/zinc/90/59/75/387905975.db2.gz QQCSRWJZINVWKG-QWHCGFSZSA-N 3 1 229.412 1.824 20 0 BDADMP N[C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130988 387907720 /nfs/dbraw/zinc/90/77/20/387907720.db2.gz HIZQBVKTZJGBOT-ZIAGYGMSSA-N 2 1 239.407 1.722 20 0 BDADMP C[C@@H](F)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423137309 387914600 /nfs/dbraw/zinc/91/46/00/387914600.db2.gz QSZBDGZSYBOWHC-RKDXNWHRSA-N 2 1 211.284 1.893 20 0 BDADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc[nH]c(=O)c1 ZINC000423139288 387915654 /nfs/dbraw/zinc/91/56/54/387915654.db2.gz VGWKURKQENUHOR-JBLDHEPKSA-N 2 1 235.331 1.578 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423155062 387934818 /nfs/dbraw/zinc/93/48/18/387934818.db2.gz ISVFQFUAPYGHIT-IJLUTSLNSA-N 2 1 214.353 1.125 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000423144669 387920123 /nfs/dbraw/zinc/92/01/23/387920123.db2.gz ZJDCDAMNVSYKNE-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP COCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCCC1 ZINC000423159201 387939181 /nfs/dbraw/zinc/93/91/81/387939181.db2.gz FNHHQINCZBUGCE-STQMWFEESA-N 2 1 240.391 1.781 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423162821 387946800 /nfs/dbraw/zinc/94/68/00/387946800.db2.gz QHFWCOJUYPUTIN-ZDEQEGDKSA-N 2 1 226.364 1.125 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423166618 387950880 /nfs/dbraw/zinc/95/08/80/387950880.db2.gz RHANTASHMJKTEI-WYUUTHIRSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1ccc(C[C@H]([NH2+]CC[NH3+])C2CC2)cc1 ZINC000423175988 387961883 /nfs/dbraw/zinc/96/18/83/387961883.db2.gz BJUZLSWESDBWNC-AWEZNQCLSA-N 2 1 218.344 1.864 20 0 BDADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[NH3+] ZINC000423178745 387963912 /nfs/dbraw/zinc/96/39/12/387963912.db2.gz IKBVZYPFQBRRDM-SECBINFHSA-N 2 1 239.294 1.091 20 0 BDADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[NH3+] ZINC000423186978 387972211 /nfs/dbraw/zinc/97/22/11/387972211.db2.gz OSPAAUHXEDPYGK-JTQLQIEISA-N 2 1 218.300 1.912 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC[NH3+] ZINC000423180122 387965167 /nfs/dbraw/zinc/96/51/67/387965167.db2.gz IDYJZWWWKHBYSL-VHSXEESVSA-N 2 1 200.326 1.128 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000423180075 387966463 /nfs/dbraw/zinc/96/64/63/387966463.db2.gz DYJPYWUVRHCKHM-RFGFWPKPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH3+])C1 ZINC000423182373 387968166 /nfs/dbraw/zinc/96/81/66/387968166.db2.gz LPRQRUWFAPWAPZ-GXTWGEPZSA-N 2 1 233.359 1.370 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000423188041 387970710 /nfs/dbraw/zinc/97/07/10/387970710.db2.gz QBAMPSWTXGGZTJ-GWOFURMSSA-N 2 1 200.301 1.737 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])c1cc2c(s1)CCC2 ZINC000423195245 387980190 /nfs/dbraw/zinc/98/01/90/387980190.db2.gz ZBEOHZYXSLTABY-QMMMGPOBSA-N 2 1 210.346 1.846 20 0 BDADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[NH3+] ZINC000423190179 387975696 /nfs/dbraw/zinc/97/56/96/387975696.db2.gz SCEVKQJIPHBOKH-ZDUSSCGKSA-N 2 1 234.343 1.966 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423192934 387978031 /nfs/dbraw/zinc/97/80/31/387978031.db2.gz QIDIIXXBZGRLRC-WOPDTQHZSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000423192931 387978072 /nfs/dbraw/zinc/97/80/72/387978072.db2.gz QIDIIXXBZGRLRC-SRVKXCTJSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000086435906 135084170 /nfs/dbraw/zinc/08/41/70/135084170.db2.gz FIWANSGFDNYDJD-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@H+]1C1CC1 ZINC000424371334 387997461 /nfs/dbraw/zinc/99/74/61/387997461.db2.gz FUPJNEBRRXIZKG-HBJVGIJOSA-N 2 1 237.391 1.471 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CN1C1CC1 ZINC000424371334 387997465 /nfs/dbraw/zinc/99/74/65/387997465.db2.gz FUPJNEBRRXIZKG-HBJVGIJOSA-N 2 1 237.391 1.471 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000156551947 387998596 /nfs/dbraw/zinc/99/85/96/387998596.db2.gz FQEGEXYBEFFCNQ-AGIUHOORSA-N 2 1 228.380 1.730 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000156551947 387998599 /nfs/dbraw/zinc/99/85/99/387998599.db2.gz FQEGEXYBEFFCNQ-AGIUHOORSA-N 2 1 228.380 1.730 20 0 BDADMP c1cnn(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420405898 387998736 /nfs/dbraw/zinc/99/87/36/387998736.db2.gz UESZNRORZXTEIS-UONOGXRCSA-N 2 1 248.374 1.347 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424375173 387998818 /nfs/dbraw/zinc/99/88/18/387998818.db2.gz MMZXZBLTMTXJBH-FMKGYKFTSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424376529 387999246 /nfs/dbraw/zinc/99/92/46/387999246.db2.gz PMQUTBZUICFCLG-MGAJPHDKSA-N 2 1 208.349 1.763 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423221201 388002393 /nfs/dbraw/zinc/00/23/93/388002393.db2.gz ZHAOCNBEWCYCQT-WDEREUQCSA-N 2 1 237.322 1.871 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccncc1F ZINC000423223038 388003437 /nfs/dbraw/zinc/00/34/37/388003437.db2.gz DPJXVEFRQIXGKZ-IUCAKERBSA-N 2 1 211.284 1.609 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423225060 388008235 /nfs/dbraw/zinc/00/82/35/388008235.db2.gz LDTKAKJWSLZATD-NEPJUHHUSA-N 2 1 228.380 1.635 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000420397654 387996731 /nfs/dbraw/zinc/99/67/31/387996731.db2.gz XSXJJXFCXUFBSG-LBPRGKRZSA-N 2 1 214.353 1.487 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000309671743 388011576 /nfs/dbraw/zinc/01/15/76/388011576.db2.gz WFZZUAOJLDDSHW-OLZOCXBDSA-N 2 1 228.380 1.590 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229382 388014905 /nfs/dbraw/zinc/01/49/05/388014905.db2.gz BCEGHWRUOSGYHV-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423230020 388015228 /nfs/dbraw/zinc/01/52/28/388015228.db2.gz CNRFNFXHRGIONG-RWMBFGLXSA-N 2 1 240.391 1.920 20 0 BDADMP C[NH2+]CCCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156650290 388016206 /nfs/dbraw/zinc/01/62/06/388016206.db2.gz RDUYKMCPYUXVCS-NWDGAFQWSA-N 2 1 213.369 1.010 20 0 BDADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]C ZINC000423235394 388018324 /nfs/dbraw/zinc/01/83/24/388018324.db2.gz ASCWXEAADCRRSC-MNOVXSKESA-N 2 1 200.326 1.001 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423237746 388019993 /nfs/dbraw/zinc/01/99/93/388019993.db2.gz DSFIGLXXLQUHEE-YNEHKIRRSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCO2)CC[N@H+]1C ZINC000453295610 388036953 /nfs/dbraw/zinc/03/69/53/388036953.db2.gz XNDPVXOEVNKIOQ-QJPTWQEYSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1cc[nH+]c(N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000082647368 388038311 /nfs/dbraw/zinc/03/83/11/388038311.db2.gz IKRMBQCIRNLIFC-NEPJUHHUSA-N 2 1 219.332 1.954 20 0 BDADMP C[N@H+](Cc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000082666710 388039281 /nfs/dbraw/zinc/03/92/81/388039281.db2.gz YHFWOAKUARATMU-ZDUSSCGKSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@@H+](Cc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000082666710 388039283 /nfs/dbraw/zinc/03/92/83/388039283.db2.gz YHFWOAKUARATMU-ZDUSSCGKSA-N 2 1 219.332 1.656 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423263790 388042066 /nfs/dbraw/zinc/04/20/66/388042066.db2.gz OWUSJFLWINODMN-LOWVWBTDSA-N 2 1 228.380 1.907 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C[C@H]1OC ZINC000423274972 388055320 /nfs/dbraw/zinc/05/53/20/388055320.db2.gz LBQQZWPGAZILTR-YNEHKIRRSA-N 2 1 240.391 1.907 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000423277748 388057817 /nfs/dbraw/zinc/05/78/17/388057817.db2.gz QCADIRYBFFIOEH-VXGBXAGGSA-N 2 1 236.363 1.370 20 0 BDADMP CCn1cc([C@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cn1 ZINC000423277033 388057983 /nfs/dbraw/zinc/05/79/83/388057983.db2.gz PIXPTQPDCPTFMS-QWRGUYRKSA-N 2 1 224.352 1.409 20 0 BDADMP C[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000083683316 388059126 /nfs/dbraw/zinc/05/91/26/388059126.db2.gz MMJPWRUCOVCUFQ-YUELXQCFSA-N 2 1 230.355 1.941 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCCOC ZINC000423294809 388077110 /nfs/dbraw/zinc/07/71/10/388077110.db2.gz CUEHBNDGPLAJEP-RYUDHWBXSA-N 2 1 216.369 1.909 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423297639 388079268 /nfs/dbraw/zinc/07/92/68/388079268.db2.gz LCNLVUUUYVVLGM-SCRDCRAPSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1nc2ccccc2n1C ZINC000423297445 388080286 /nfs/dbraw/zinc/08/02/86/388080286.db2.gz KHABEBVMUFKHLK-WDEREUQCSA-N 2 1 246.358 1.819 20 0 BDADMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000085282066 388085809 /nfs/dbraw/zinc/08/58/09/388085809.db2.gz ZRJXRIQCPTXJSQ-PHIMTYICSA-N 2 1 208.330 1.399 20 0 BDADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000085282066 388085811 /nfs/dbraw/zinc/08/58/11/388085811.db2.gz ZRJXRIQCPTXJSQ-PHIMTYICSA-N 2 1 208.330 1.399 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccnn1C ZINC000086496272 388103904 /nfs/dbraw/zinc/10/39/04/388103904.db2.gz BQHJGQHSBKCYMN-GHMZBOCLSA-N 2 1 222.336 1.040 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000643493598 388110437 /nfs/dbraw/zinc/11/04/37/388110437.db2.gz QLERLZKVICHRRE-FQPOAREZSA-N 2 1 218.300 1.244 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000643493600 388110536 /nfs/dbraw/zinc/11/05/36/388110536.db2.gz QLERLZKVICHRRE-OTMMVIPVSA-N 2 1 218.300 1.244 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423268128 388047003 /nfs/dbraw/zinc/04/70/03/388047003.db2.gz GBSBTFYVQLHLBL-RISCZKNCSA-N 2 1 236.359 1.813 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H]1CCOC1 ZINC000423268250 388048242 /nfs/dbraw/zinc/04/82/42/388048242.db2.gz UPLMOEAWXDMEGO-IACUBPJLSA-N 2 1 240.391 1.909 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000449243367 388161683 /nfs/dbraw/zinc/16/16/83/388161683.db2.gz KIBXYZBGDMAQSO-UONOGXRCSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000449243367 388161685 /nfs/dbraw/zinc/16/16/85/388161685.db2.gz KIBXYZBGDMAQSO-UONOGXRCSA-N 2 1 240.391 1.611 20 0 BDADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CCC1)CCO2 ZINC000646104501 388142979 /nfs/dbraw/zinc/14/29/79/388142979.db2.gz ODRJHYAADHJASI-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449107281 388143997 /nfs/dbraw/zinc/14/39/97/388143997.db2.gz OWTWBERIVRUNLH-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000449112939 388144943 /nfs/dbraw/zinc/14/49/43/388144943.db2.gz DXLGBGDCSZVKCB-RYUDHWBXSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@H]1[C@H](CO)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000488750516 388193816 /nfs/dbraw/zinc/19/38/16/388193816.db2.gz UMCUWDLYZCPCGF-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)[C@H](C)C1 ZINC000449410198 388197944 /nfs/dbraw/zinc/19/79/44/388197944.db2.gz YLNYOQIYDTZJDD-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)O)[C@@H](C)C1 ZINC000449451556 388209674 /nfs/dbraw/zinc/20/96/74/388209674.db2.gz RLBOVNAEWCGQQC-XQQFMLRXSA-N 2 1 242.407 1.856 20 0 BDADMP CCSCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000233827816 388349451 /nfs/dbraw/zinc/34/94/51/388349451.db2.gz XNRHNGDQYYTIDH-SNVBAGLBSA-N 2 1 202.367 1.410 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(C)c1 ZINC000276621854 388350662 /nfs/dbraw/zinc/35/06/62/388350662.db2.gz IAIQLLVHVZGZMT-SNVBAGLBSA-N 2 1 233.319 1.047 20 0 BDADMP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000572760945 388374194 /nfs/dbraw/zinc/37/41/94/388374194.db2.gz KMEVKWBCBXRJOK-NEPJUHHUSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@@H]1CCCO1 ZINC000261534915 135168753 /nfs/dbraw/zinc/16/87/53/135168753.db2.gz NJURZUOJJVAPDD-RYUDHWBXSA-N 2 1 214.353 1.519 20 0 BDADMP CC(C)[C@@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308638480 388445765 /nfs/dbraw/zinc/44/57/65/388445765.db2.gz WPWDXQNWXFVTTL-LBPRGKRZSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335349700 388449939 /nfs/dbraw/zinc/44/99/39/388449939.db2.gz VIGPVRRJUOXJBC-TZMCWYRMSA-N 2 1 233.359 1.807 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000336345884 388457681 /nfs/dbraw/zinc/45/76/81/388457681.db2.gz HDHWVJXYTVQFAI-HUUCEWRRSA-N 3 1 249.402 1.465 20 0 BDADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000336345884 388457682 /nfs/dbraw/zinc/45/76/82/388457682.db2.gz HDHWVJXYTVQFAI-HUUCEWRRSA-N 3 1 249.402 1.465 20 0 BDADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336345884 388457684 /nfs/dbraw/zinc/45/76/84/388457684.db2.gz HDHWVJXYTVQFAI-HUUCEWRRSA-N 3 1 249.402 1.465 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000397414502 388468428 /nfs/dbraw/zinc/46/84/28/388468428.db2.gz XJQGDTXUCRFUCH-DYEKYZERSA-N 2 1 233.359 1.887 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000296603794 388425095 /nfs/dbraw/zinc/42/50/95/388425095.db2.gz YRRBMDDBZCTCNG-ZDUSSCGKSA-N 2 1 245.370 1.964 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H]1C ZINC000322335343 388432446 /nfs/dbraw/zinc/43/24/46/388432446.db2.gz QCAQVOJFKNFEQM-NTZNESFSSA-N 2 1 208.349 1.882 20 0 BDADMP CC(C)(C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000393613600 388435157 /nfs/dbraw/zinc/43/51/57/388435157.db2.gz KNYKNFKOQIBQPT-TXEJJXNPSA-N 2 1 210.365 1.964 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000649287339 388543017 /nfs/dbraw/zinc/54/30/17/388543017.db2.gz SHCMWTYJARNSCJ-STQMWFEESA-N 2 1 237.347 1.681 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000340489091 388490932 /nfs/dbraw/zinc/49/09/32/388490932.db2.gz QSWZKFMVCFSLNF-HBJVGIJOSA-N 2 1 240.391 1.730 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000340490149 388491627 /nfs/dbraw/zinc/49/16/27/388491627.db2.gz LTZNQJHHCMTYQG-KGYLQXTDSA-N 2 1 226.364 1.484 20 0 BDADMP CO[C@@H](C[NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000378751539 388495286 /nfs/dbraw/zinc/49/52/86/388495286.db2.gz OZEXUALDMKWIBB-LBPRGKRZSA-N 2 1 223.320 1.206 20 0 BDADMP CC[C@@]1(C)C[N@@H+](CCCn2ccnc2)CCO1 ZINC000135699524 388505237 /nfs/dbraw/zinc/50/52/37/388505237.db2.gz GHKKLOCZLKCESA-ZDUSSCGKSA-N 2 1 237.347 1.774 20 0 BDADMP CCCn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000345179937 388510962 /nfs/dbraw/zinc/51/09/62/388510962.db2.gz WYLSEMFAWZTEON-UHFFFAOYSA-N 2 1 248.374 1.645 20 0 BDADMP Cc1nocc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000550114360 388599516 /nfs/dbraw/zinc/59/95/16/388599516.db2.gz CQCSIPOPILXJHW-GFCCVEGCSA-N 2 1 237.347 1.803 20 0 BDADMP C[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631842925 388610776 /nfs/dbraw/zinc/61/07/76/388610776.db2.gz HMBYCCJLCRYWGS-CHWSQXEVSA-N 2 1 234.343 1.592 20 0 BDADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(C)(F)F ZINC000357716213 388551875 /nfs/dbraw/zinc/55/18/75/388551875.db2.gz MKJGTFHOJUJLRE-VHSXEESVSA-N 2 1 236.306 1.388 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1nccs1 ZINC000359199779 388556237 /nfs/dbraw/zinc/55/62/37/388556237.db2.gz FJYNOUTXKLVOCJ-UHFFFAOYSA-N 2 1 239.388 1.965 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1nccs1 ZINC000359199779 388556239 /nfs/dbraw/zinc/55/62/39/388556239.db2.gz FJYNOUTXKLVOCJ-UHFFFAOYSA-N 2 1 239.388 1.965 20 0 BDADMP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)F ZINC000520878341 388557019 /nfs/dbraw/zinc/55/70/19/388557019.db2.gz VVLIUSPRXBZMAL-NSHDSACASA-N 2 1 248.317 1.076 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000521226013 388565423 /nfs/dbraw/zinc/56/54/23/388565423.db2.gz ZKVDCKARTFLXRA-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000247767327 388669285 /nfs/dbraw/zinc/66/92/85/388669285.db2.gz SUIYHDNQDAJEAX-IGQOVBAYSA-N 2 1 238.375 1.243 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000247982335 388671369 /nfs/dbraw/zinc/67/13/69/388671369.db2.gz INDOTURNRCUUBV-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000247982335 388671371 /nfs/dbraw/zinc/67/13/71/388671371.db2.gz INDOTURNRCUUBV-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000247982335 388671373 /nfs/dbraw/zinc/67/13/73/388671373.db2.gz INDOTURNRCUUBV-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248142083 388674331 /nfs/dbraw/zinc/67/43/31/388674331.db2.gz PTJYATGIGQCPLR-FRRDWIJNSA-N 2 1 228.380 1.466 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)OC)C1 ZINC000248452715 388680913 /nfs/dbraw/zinc/68/09/13/388680913.db2.gz YVCLAIWCYXRMDC-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC000248452715 388680915 /nfs/dbraw/zinc/68/09/15/388680915.db2.gz YVCLAIWCYXRMDC-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC000248452715 388680916 /nfs/dbraw/zinc/68/09/16/388680916.db2.gz YVCLAIWCYXRMDC-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@H]([NH3+])CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000521619821 388619199 /nfs/dbraw/zinc/61/91/99/388619199.db2.gz AIQIEEXBSOIERG-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP Cn1cc2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2n1 ZINC000530217124 388630424 /nfs/dbraw/zinc/63/04/24/388630424.db2.gz FWEVMKVSBCNCNM-OLZOCXBDSA-N 2 1 244.342 1.543 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ncccc1F ZINC000530220560 388632734 /nfs/dbraw/zinc/63/27/34/388632734.db2.gz AJJBCMQFDQDXGA-AEJSXWLSSA-N 2 1 225.311 1.997 20 0 BDADMP CC[C@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCCC[NH2+]1 ZINC000530223318 388633967 /nfs/dbraw/zinc/63/39/67/388633967.db2.gz TXZXQYINVTUUPC-QPPOZKHWSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000189503797 388634432 /nfs/dbraw/zinc/63/44/32/388634432.db2.gz OZSDSONLRTVVLJ-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCO2)CC[N@H+]1C ZINC000189503797 388634434 /nfs/dbraw/zinc/63/44/34/388634434.db2.gz OZSDSONLRTVVLJ-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCCO2)CC[NH+]1C ZINC000189503797 388634437 /nfs/dbraw/zinc/63/44/37/388634437.db2.gz OZSDSONLRTVVLJ-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCCO2)CC[NH+]1C ZINC000189503797 388634439 /nfs/dbraw/zinc/63/44/39/388634439.db2.gz OZSDSONLRTVVLJ-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[C@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000530228871 388636853 /nfs/dbraw/zinc/63/68/53/388636853.db2.gz HEBNOZXXMFVEAC-CQSZACIVSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000530228871 388636856 /nfs/dbraw/zinc/63/68/56/388636856.db2.gz HEBNOZXXMFVEAC-CQSZACIVSA-N 2 1 239.407 1.306 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCCCO1 ZINC000246682726 388648747 /nfs/dbraw/zinc/64/87/47/388648747.db2.gz BDVHJRWKFSPLOB-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CCCCO1 ZINC000246682726 388648750 /nfs/dbraw/zinc/64/87/50/388648750.db2.gz BDVHJRWKFSPLOB-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CCCCO1 ZINC000246682726 388648751 /nfs/dbraw/zinc/64/87/51/388648751.db2.gz BDVHJRWKFSPLOB-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247075129 388659073 /nfs/dbraw/zinc/65/90/73/388659073.db2.gz QJLZJUBUBXQEIY-MJBXVCDLSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247075129 388659075 /nfs/dbraw/zinc/65/90/75/388659075.db2.gz QJLZJUBUBXQEIY-MJBXVCDLSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247075129 388659077 /nfs/dbraw/zinc/65/90/77/388659077.db2.gz QJLZJUBUBXQEIY-MJBXVCDLSA-N 2 1 241.423 1.789 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000224410813 388663842 /nfs/dbraw/zinc/66/38/42/388663842.db2.gz QCHXHZYLZIVIHD-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224410813 388663844 /nfs/dbraw/zinc/66/38/44/388663844.db2.gz QCHXHZYLZIVIHD-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@@H]1C[C@H](NCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000128217797 388740641 /nfs/dbraw/zinc/74/06/41/388740641.db2.gz YUVQGINIXMYXRM-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000126176968 388689497 /nfs/dbraw/zinc/68/94/97/388689497.db2.gz QMVCRHJAVNNVQL-TZMCWYRMSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCN1C ZINC000126176968 388689499 /nfs/dbraw/zinc/68/94/99/388689499.db2.gz QMVCRHJAVNNVQL-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126269335 388691926 /nfs/dbraw/zinc/69/19/26/388691926.db2.gz MUYLLRQJQFBHQE-JSGCOSHPSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126269335 388691928 /nfs/dbraw/zinc/69/19/28/388691928.db2.gz MUYLLRQJQFBHQE-JSGCOSHPSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248982415 388702423 /nfs/dbraw/zinc/70/24/23/388702423.db2.gz FWENTQYXOJLASG-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](OC)C2)[C@H](C)C1 ZINC000249015495 388704880 /nfs/dbraw/zinc/70/48/80/388704880.db2.gz JFMYQWBKZCXZEW-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)OC)[C@@H](C)C1 ZINC000249088219 388708518 /nfs/dbraw/zinc/70/85/18/388708518.db2.gz MVYMPXPVNGPWEO-SRVKXCTJSA-N 2 1 214.353 1.341 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422330 388718727 /nfs/dbraw/zinc/71/87/27/388718727.db2.gz AKWSTVFHFIXRPW-VHSXEESVSA-N 2 1 202.367 1.409 20 0 BDADMP FC(F)OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000194036766 388721673 /nfs/dbraw/zinc/72/16/73/388721673.db2.gz YKICSOKLRNBIDQ-WDEREUQCSA-N 2 1 248.317 1.832 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000249499552 388723735 /nfs/dbraw/zinc/72/37/35/388723735.db2.gz HIODOOAIRIBOFF-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000249499552 388723736 /nfs/dbraw/zinc/72/37/36/388723736.db2.gz HIODOOAIRIBOFF-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000249499552 388723739 /nfs/dbraw/zinc/72/37/39/388723739.db2.gz HIODOOAIRIBOFF-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@H](C)C1 ZINC000552576454 388728678 /nfs/dbraw/zinc/72/86/78/388728678.db2.gz XXCKJDQECAIBHG-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCO ZINC000229601854 388797034 /nfs/dbraw/zinc/79/70/34/388797034.db2.gz YKPGEGGCBLIIBH-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000228063199 388767627 /nfs/dbraw/zinc/76/76/27/388767627.db2.gz WKXYHMTWPWFCEF-WHOHXGKFSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000228738401 388772869 /nfs/dbraw/zinc/77/28/69/388772869.db2.gz HDMZDYKCWPQSPH-STQMWFEESA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000252713147 388773571 /nfs/dbraw/zinc/77/35/71/388773571.db2.gz OLVGMQRJMPQBKO-DTWKUNHWSA-N 2 1 224.270 1.869 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000252715189 388775500 /nfs/dbraw/zinc/77/55/00/388775500.db2.gz UWNTXNVPEVMXSD-GXTWGEPZSA-N 2 1 233.359 1.554 20 0 BDADMP CC[C@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000564652342 388883110 /nfs/dbraw/zinc/88/31/10/388883110.db2.gz YOPNKPKQNJXPAT-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166871 388920214 /nfs/dbraw/zinc/92/02/14/388920214.db2.gz VCGGDYGMGRQQPC-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166871 388920220 /nfs/dbraw/zinc/92/02/20/388920220.db2.gz VCGGDYGMGRQQPC-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166871 388920227 /nfs/dbraw/zinc/92/02/27/388920227.db2.gz VCGGDYGMGRQQPC-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166871 388920217 /nfs/dbraw/zinc/92/02/17/388920217.db2.gz VCGGDYGMGRQQPC-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166871 388920223 /nfs/dbraw/zinc/92/02/23/388920223.db2.gz VCGGDYGMGRQQPC-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP [NH3+]CCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000565704674 388963325 /nfs/dbraw/zinc/96/33/25/388963325.db2.gz LGABVONRUVJMBS-SECBINFHSA-N 2 1 240.269 1.379 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000565704674 388963329 /nfs/dbraw/zinc/96/33/29/388963329.db2.gz LGABVONRUVJMBS-SECBINFHSA-N 2 1 240.269 1.379 20 0 BDADMP C[C@@H](NCC1(C)CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400720696 533355501 /nfs/dbraw/zinc/35/55/01/533355501.db2.gz OKAMMBNDENJFQS-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]CCc1ccccn1)[C@H]1CCC[NH2+]1 ZINC000400371952 533405830 /nfs/dbraw/zinc/40/58/30/533405830.db2.gz HFYZPEGWQUQOJE-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400481806 533498863 /nfs/dbraw/zinc/49/88/63/533498863.db2.gz FTBIXFRIICFLOK-WFASDCNBSA-N 2 1 248.370 1.968 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000167103438 133965786 /nfs/dbraw/zinc/96/57/86/133965786.db2.gz VONMUADHCBEFLA-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCOC2)C1)C1CC[NH2+]CC1 ZINC000336081011 134075228 /nfs/dbraw/zinc/07/52/28/134075228.db2.gz YTVSKWWIGBELFO-AWEZNQCLSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@H](CN[C@@H]1CCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000217536477 134248308 /nfs/dbraw/zinc/24/83/08/134248308.db2.gz YUYHNMXRYUNXOX-VXGBXAGGSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N(C)C1CC1 ZINC000217536477 134248309 /nfs/dbraw/zinc/24/83/09/134248309.db2.gz YUYHNMXRYUNXOX-VXGBXAGGSA-N 2 1 225.380 1.201 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C1CCC([NH3+])CC1 ZINC000217732566 134250546 /nfs/dbraw/zinc/25/05/46/134250546.db2.gz UIUCMYRTHNWUJO-UHFFFAOYSA-N 3 1 227.396 1.578 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C1CCC([NH3+])CC1 ZINC000217732566 134250547 /nfs/dbraw/zinc/25/05/47/134250547.db2.gz UIUCMYRTHNWUJO-UHFFFAOYSA-N 3 1 227.396 1.578 20 0 BDADMP CCCn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000219715211 134290336 /nfs/dbraw/zinc/29/03/36/134290336.db2.gz QYBKGFPGCGAHIR-LBPRGKRZSA-N 2 1 236.363 1.464 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178706491 134313265 /nfs/dbraw/zinc/31/32/65/134313265.db2.gz MLFXQTREPFAZHA-NWDGAFQWSA-N 2 1 239.363 1.842 20 0 BDADMP Cn1cc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cn1 ZINC000178980362 134314159 /nfs/dbraw/zinc/31/41/59/134314159.db2.gz SYOHOPKBWKLOEK-CQSZACIVSA-N 2 1 248.374 1.557 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222912886 134336202 /nfs/dbraw/zinc/33/62/02/134336202.db2.gz IPQUNRKRTJEZPF-UPJWGTAASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCOCC2CC2)CC[N@H+]1C ZINC000223378315 134338825 /nfs/dbraw/zinc/33/88/25/134338825.db2.gz RUOHJBQAFPCMPA-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCO1 ZINC000227911236 134399203 /nfs/dbraw/zinc/39/92/03/134399203.db2.gz WJQADPZNLFFCHD-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCO1 ZINC000227911236 134399204 /nfs/dbraw/zinc/39/92/04/134399204.db2.gz WJQADPZNLFFCHD-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)CSC)CC1 ZINC000133996408 134697940 /nfs/dbraw/zinc/69/79/40/134697940.db2.gz XNFHYCFYHHFODS-JTQLQIEISA-N 2 1 216.394 1.812 20 0 BDADMP CC[C@@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249052759 135030883 /nfs/dbraw/zinc/03/08/83/135030883.db2.gz XUXIEZKAWCCLOE-JWURUJNWSA-N 2 1 240.391 1.608 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249848595 135046489 /nfs/dbraw/zinc/04/64/89/135046489.db2.gz IDMIUYIQHQEQPD-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250245267 135050236 /nfs/dbraw/zinc/05/02/36/135050236.db2.gz HWLYQCBYACABFC-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250367078 135053153 /nfs/dbraw/zinc/05/31/53/135053153.db2.gz YOGFCDWFMPLNAP-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP CC(C)OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250575925 135054210 /nfs/dbraw/zinc/05/42/10/135054210.db2.gz DJMXOYUARCCXKW-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)CCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000250597433 135055894 /nfs/dbraw/zinc/05/58/94/135055894.db2.gz OWDKQKKIKNWBFC-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CCC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000250597433 135055897 /nfs/dbraw/zinc/05/58/97/135055897.db2.gz OWDKQKKIKNWBFC-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCOCC[NH3+] ZINC000086435654 135084070 /nfs/dbraw/zinc/08/40/70/135084070.db2.gz JNVGUBHXAMGNHE-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN(C)C[C@H]1CCC[N@H+]1C ZINC000252581981 135092066 /nfs/dbraw/zinc/09/20/66/135092066.db2.gz UHFOCANZFIPYJG-CHWSQXEVSA-N 2 1 227.396 1.386 20 0 BDADMP CC(C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539040 135092155 /nfs/dbraw/zinc/09/21/55/135092155.db2.gz BCRRVYLIFQLUGH-RWMBFGLXSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539040 135092157 /nfs/dbraw/zinc/09/21/57/135092157.db2.gz BCRRVYLIFQLUGH-RWMBFGLXSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725370 135095407 /nfs/dbraw/zinc/09/54/07/135095407.db2.gz SPHZGKPGBSCXBW-GXTWGEPZSA-N 2 1 218.344 1.959 20 0 BDADMP Fc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086724488 135095624 /nfs/dbraw/zinc/09/56/24/135095624.db2.gz SBBULGTXGKTPMH-LBPRGKRZSA-N 2 1 208.280 1.320 20 0 BDADMP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000086730377 135096109 /nfs/dbraw/zinc/09/61/09/135096109.db2.gz KCOJQYFQGQFZJH-ONGXEEELSA-N 2 1 224.373 1.939 20 0 BDADMP CCSCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000252691196 135096976 /nfs/dbraw/zinc/09/69/76/135096976.db2.gz XGXNPNJTYKMUJU-QWRGUYRKSA-N 2 1 216.394 1.941 20 0 BDADMP CCSCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000252691196 135096977 /nfs/dbraw/zinc/09/69/77/135096977.db2.gz XGXNPNJTYKMUJU-QWRGUYRKSA-N 2 1 216.394 1.941 20 0 BDADMP C[C@@H]1CN(C)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000257772794 135100312 /nfs/dbraw/zinc/10/03/12/135100312.db2.gz DOALNLRSWXMMOR-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000252714030 135100609 /nfs/dbraw/zinc/10/06/09/135100609.db2.gz QVUQVTGUCCZOPM-NWDGAFQWSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252714926 135101487 /nfs/dbraw/zinc/10/14/87/135101487.db2.gz UBIOBESAUSEZGJ-XBFCOCLRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252714926 135101488 /nfs/dbraw/zinc/10/14/88/135101488.db2.gz UBIOBESAUSEZGJ-XBFCOCLRSA-N 2 1 238.375 1.628 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000086935436 135104210 /nfs/dbraw/zinc/10/42/10/135104210.db2.gz DJBPUGUMYCBLAH-CMPLNLGQSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252759514 135107705 /nfs/dbraw/zinc/10/77/05/135107705.db2.gz LLHPGXSPCFPGKC-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261575985 135110312 /nfs/dbraw/zinc/11/03/12/135110312.db2.gz NMHLMKPMEAHNDD-CFVMTHIKSA-N 2 1 246.354 1.864 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000261570102 135110397 /nfs/dbraw/zinc/11/03/97/135110397.db2.gz GQCHSTGFNBPLIN-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCCC2(CCOCC2)C1 ZINC000261570102 135110399 /nfs/dbraw/zinc/11/03/99/135110399.db2.gz GQCHSTGFNBPLIN-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252790140 135110522 /nfs/dbraw/zinc/11/05/22/135110522.db2.gz YOEJPNQXGVUCCV-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253250405 135125579 /nfs/dbraw/zinc/12/55/79/135125579.db2.gz VWJQNUIRWKETFM-UONOGXRCSA-N 2 1 242.407 1.966 20 0 BDADMP CC[C@@H](CCO)C[NH2+]C1CC[NH+](C)CC1 ZINC000087362655 135126625 /nfs/dbraw/zinc/12/66/25/135126625.db2.gz VCVJVKYPQSLIDW-NSHDSACASA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@H](CCO)C[NH2+]C1CC[NH+](C)CC1 ZINC000087362656 135126661 /nfs/dbraw/zinc/12/66/61/135126661.db2.gz VCVJVKYPQSLIDW-LLVKDONJSA-N 2 1 214.353 1.079 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2nccs2)CC1 ZINC000087391429 135128116 /nfs/dbraw/zinc/12/81/16/135128116.db2.gz HRAHOQCHHVHTKH-UHFFFAOYSA-N 2 1 225.361 1.575 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257638631 135137288 /nfs/dbraw/zinc/13/72/88/135137288.db2.gz AFXKNIJFQNCALL-AWEZNQCLSA-N 2 1 248.374 1.602 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257638631 135137290 /nfs/dbraw/zinc/13/72/90/135137290.db2.gz AFXKNIJFQNCALL-AWEZNQCLSA-N 2 1 248.374 1.602 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257644440 135137794 /nfs/dbraw/zinc/13/77/94/135137794.db2.gz BTVWAHQUGVFTNI-QWHCGFSZSA-N 2 1 240.416 1.815 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257713852 135140613 /nfs/dbraw/zinc/14/06/13/135140613.db2.gz UGRRRVTWYZXGQE-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257719909 135140906 /nfs/dbraw/zinc/14/09/06/135140906.db2.gz VKDCWPHOIWSURT-AWEZNQCLSA-N 2 1 231.343 1.310 20 0 BDADMP CCS[C@@H]1CC[C@@H]([N@H+](C)CCN)C1 ZINC000261529165 135155093 /nfs/dbraw/zinc/15/50/93/135155093.db2.gz PSHNKWQFAPHVEU-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCN)C1 ZINC000261529165 135155094 /nfs/dbraw/zinc/15/50/94/135155094.db2.gz PSHNKWQFAPHVEU-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@@H]1CC[C@@H]([N@H+](C)CC[NH3+])C1 ZINC000261529165 135155096 /nfs/dbraw/zinc/15/50/96/135155096.db2.gz PSHNKWQFAPHVEU-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC[NH3+])C1 ZINC000261529165 135155097 /nfs/dbraw/zinc/15/50/97/135155097.db2.gz PSHNKWQFAPHVEU-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261529842 135156856 /nfs/dbraw/zinc/15/68/56/135156856.db2.gz BNRHRYUUIPFQOH-BDAKNGLRSA-N 2 1 222.254 1.480 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261529842 135156858 /nfs/dbraw/zinc/15/68/58/135156858.db2.gz BNRHRYUUIPFQOH-BDAKNGLRSA-N 2 1 222.254 1.480 20 0 BDADMP Cc1cccc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000087653300 135160967 /nfs/dbraw/zinc/16/09/67/135160967.db2.gz KUPXCGDHTIARGJ-UHFFFAOYSA-N 2 1 204.317 1.917 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000261532441 135162391 /nfs/dbraw/zinc/16/23/91/135162391.db2.gz BMEWYWSUQLJXTR-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)C[C@H]2C)CC[NH2+]1 ZINC000261533050 135164043 /nfs/dbraw/zinc/16/40/43/135164043.db2.gz GIYIOZUMWLIMNE-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000261534093 135166069 /nfs/dbraw/zinc/16/60/69/135166069.db2.gz MZCIHUVLXBCLKW-MDZLAQPJSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000261534093 135166070 /nfs/dbraw/zinc/16/60/70/135166070.db2.gz MZCIHUVLXBCLKW-MDZLAQPJSA-N 2 1 225.380 1.186 20 0 BDADMP C[N@@H+](C[C@H]1CCSC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261534656 135167923 /nfs/dbraw/zinc/16/79/23/135167923.db2.gz SKYPPNSZABBOCH-FKJOKYEKSA-N 2 1 240.416 1.954 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]12 ZINC000261534867 135168773 /nfs/dbraw/zinc/16/87/73/135168773.db2.gz NGOWVAFESPMHPF-HRDYMLBCSA-N 2 1 222.254 1.608 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000261535429 135169764 /nfs/dbraw/zinc/16/97/64/135169764.db2.gz YTTYXAJJWPTPPX-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000261535413 135169930 /nfs/dbraw/zinc/16/99/30/135169930.db2.gz YJFYXVHBHSJJRY-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000261535664 135170302 /nfs/dbraw/zinc/17/03/02/135170302.db2.gz OYYUQVNZQXIDMZ-CYBMUJFWSA-N 2 1 208.349 1.862 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000261535625 135170447 /nfs/dbraw/zinc/17/04/47/135170447.db2.gz OVGQLVPDYDSWTL-GARJFASQSA-N 2 1 212.337 1.142 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261535803 135170669 /nfs/dbraw/zinc/17/06/69/135170669.db2.gz PGVRWERXTDXRAT-NWDGAFQWSA-N 2 1 228.405 1.800 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C2)CCCS1 ZINC000087793274 135172189 /nfs/dbraw/zinc/17/21/89/135172189.db2.gz DIOOYYNTYHEOIM-NXEZZACHSA-N 2 1 200.351 1.224 20 0 BDADMP Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261536395 135172412 /nfs/dbraw/zinc/17/24/12/135172412.db2.gz ROLNNQWVQFDLHN-YPMHNXCESA-N 2 1 204.317 1.917 20 0 BDADMP Cc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261536395 135172414 /nfs/dbraw/zinc/17/24/14/135172414.db2.gz ROLNNQWVQFDLHN-YPMHNXCESA-N 2 1 204.317 1.917 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261539968 135178739 /nfs/dbraw/zinc/17/87/39/135178739.db2.gz CVHGVEFHNFIGBR-MELADBBJSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cocn2)CC1 ZINC000261540508 135179107 /nfs/dbraw/zinc/17/91/07/135179107.db2.gz DZPAAVKZHINXAD-SECBINFHSA-N 2 1 209.293 1.234 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCCOC2)CC[NH2+]1 ZINC000261540299 135179235 /nfs/dbraw/zinc/17/92/35/135179235.db2.gz FSOIHWPROGGADR-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCCO1 ZINC000261540746 135180077 /nfs/dbraw/zinc/18/00/77/135180077.db2.gz HQCVBHMGKNJZDQ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+](CCOCC[NH3+])Cc1ccc(F)cc1F ZINC000261543055 135184249 /nfs/dbraw/zinc/18/42/49/135184249.db2.gz CRHFPJZMQLKEOQ-UHFFFAOYSA-N 2 1 244.285 1.372 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(F)cc1F ZINC000261543055 135184250 /nfs/dbraw/zinc/18/42/50/135184250.db2.gz CRHFPJZMQLKEOQ-UHFFFAOYSA-N 2 1 244.285 1.372 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000261544104 135185666 /nfs/dbraw/zinc/18/56/66/135185666.db2.gz WRKLOPRUANJEPS-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000261544972 135186084 /nfs/dbraw/zinc/18/60/84/135186084.db2.gz FLEMVSCIIZWRAK-RRFJBIMHSA-N 2 1 230.355 1.898 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000084149026 135187779 /nfs/dbraw/zinc/18/77/79/135187779.db2.gz PKNKFKWVGXSJSK-SNVBAGLBSA-N 2 1 225.361 1.541 20 0 BDADMP CCc1nc(N2CCCC[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000261552215 135191087 /nfs/dbraw/zinc/19/10/87/135191087.db2.gz MQXDCQUBIOMYTI-NSHDSACASA-N 2 1 234.347 1.665 20 0 BDADMP CCC1(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CCOCC1 ZINC000261553255 135192787 /nfs/dbraw/zinc/19/27/87/135192787.db2.gz NRAOLTIZDGRUQR-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nccs1 ZINC000084220506 135192979 /nfs/dbraw/zinc/19/29/79/135192979.db2.gz JAOWQVHYKVZTSP-BDAKNGLRSA-N 2 1 211.334 1.360 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+](C)CC[NH2+]C)CCO1 ZINC000261553952 135193973 /nfs/dbraw/zinc/19/39/73/135193973.db2.gz SYFLJJGUIAPESF-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CC[NH2+]C)CCO1 ZINC000261553952 135193974 /nfs/dbraw/zinc/19/39/74/135193974.db2.gz SYFLJJGUIAPESF-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC[NH3+])C1 ZINC000261554511 135194603 /nfs/dbraw/zinc/19/46/03/135194603.db2.gz UIFOQNCPMACZLK-CMPLNLGQSA-N 2 1 214.353 1.112 20 0 BDADMP c1cncc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261556857 135196884 /nfs/dbraw/zinc/19/68/84/135196884.db2.gz REOMWZLOGHTPQI-ZIAGYGMSSA-N 2 1 231.343 1.308 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261556857 135196885 /nfs/dbraw/zinc/19/68/85/135196885.db2.gz REOMWZLOGHTPQI-ZIAGYGMSSA-N 2 1 231.343 1.308 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261560526 135201172 /nfs/dbraw/zinc/20/11/72/135201172.db2.gz UTAQLBJGYTWVCI-YUTCNCBUSA-N 2 1 231.343 1.559 20 0 BDADMP CCc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000261563377 135205356 /nfs/dbraw/zinc/20/53/56/135205356.db2.gz WZRKGTZNHWWAMW-UHFFFAOYSA-N 2 1 236.359 1.656 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261563693 135205516 /nfs/dbraw/zinc/20/55/16/135205516.db2.gz XDSFVNQAFHQHOB-CHWSQXEVSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261563693 135205518 /nfs/dbraw/zinc/20/55/18/135205518.db2.gz XDSFVNQAFHQHOB-CHWSQXEVSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564624 135207058 /nfs/dbraw/zinc/20/70/58/135207058.db2.gz XTWVIVHTFUOKRF-CYBMUJFWSA-N 2 1 236.363 1.208 20 0 BDADMP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000163978997 135209910 /nfs/dbraw/zinc/20/99/10/135209910.db2.gz SNBNQAYFWZODRZ-CHWSQXEVSA-N 2 1 238.375 1.362 20 0 BDADMP CCC[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000261571779 135214040 /nfs/dbraw/zinc/21/40/40/135214040.db2.gz HVLUVKXGYDRQIT-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000164138779 135214173 /nfs/dbraw/zinc/21/41/73/135214173.db2.gz ZXMUGHBCPZRKEZ-NSHDSACASA-N 2 1 222.307 1.915 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261572478 135215223 /nfs/dbraw/zinc/21/52/23/135215223.db2.gz LPYYRDMJHNXDSQ-ZIAGYGMSSA-N 2 1 246.354 1.737 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261572478 135215224 /nfs/dbraw/zinc/21/52/24/135215224.db2.gz LPYYRDMJHNXDSQ-ZIAGYGMSSA-N 2 1 246.354 1.737 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000084385595 135217857 /nfs/dbraw/zinc/21/78/57/135217857.db2.gz LRWULZNGZSAONH-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ncsc1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000084386000 135218379 /nfs/dbraw/zinc/21/83/79/135218379.db2.gz XFYQNYVSHXKOSQ-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261578467 135220130 /nfs/dbraw/zinc/22/01/30/135220130.db2.gz PADCJAKRNZJABK-HIFRSBDPSA-N 2 1 246.354 1.879 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261578467 135220131 /nfs/dbraw/zinc/22/01/31/135220131.db2.gz PADCJAKRNZJABK-HIFRSBDPSA-N 2 1 246.354 1.879 20 0 BDADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261578607 135220160 /nfs/dbraw/zinc/22/01/60/135220160.db2.gz LUCVCGAZLABNHP-NWDGAFQWSA-N 2 1 217.316 1.123 20 0 BDADMP c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261578607 135220161 /nfs/dbraw/zinc/22/01/61/135220161.db2.gz LUCVCGAZLABNHP-NWDGAFQWSA-N 2 1 217.316 1.123 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261590779 135231312 /nfs/dbraw/zinc/23/13/12/135231312.db2.gz UTDCYTAAXSJGBB-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261590779 135231313 /nfs/dbraw/zinc/23/13/13/135231313.db2.gz UTDCYTAAXSJGBB-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261591451 135231823 /nfs/dbraw/zinc/23/18/23/135231823.db2.gz VJTJLCVPCDSZIU-AVGNSLFASA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261591451 135231824 /nfs/dbraw/zinc/23/18/24/135231824.db2.gz VJTJLCVPCDSZIU-AVGNSLFASA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]12 ZINC000261595253 135235002 /nfs/dbraw/zinc/23/50/02/135235002.db2.gz XZORXWRVIICXJB-JHJVBQTASA-N 2 1 224.348 1.082 20 0 BDADMP CCc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)nc(C)[nH+]1 ZINC000261599065 135237918 /nfs/dbraw/zinc/23/79/18/135237918.db2.gz ZTXHSROXFMYHDF-GZMMTYOYSA-N 2 1 220.320 1.273 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261545982 135238650 /nfs/dbraw/zinc/23/86/50/135238650.db2.gz GNJOYDMIZFXODE-MJBXVCDLSA-N 2 1 231.343 1.559 20 0 BDADMP C[C@@H]1OCC[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000261547393 135240043 /nfs/dbraw/zinc/24/00/43/135240043.db2.gz MHUNNKFTNARLAI-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1OCC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000261547393 135240045 /nfs/dbraw/zinc/24/00/45/135240045.db2.gz MHUNNKFTNARLAI-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000261645522 135242723 /nfs/dbraw/zinc/24/27/23/135242723.db2.gz XNEHSGACFPHNBZ-MNOVXSKESA-N 2 1 237.347 1.762 20 0 BDADMP O=c1[nH]ccc2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261694755 135246989 /nfs/dbraw/zinc/24/69/89/135246989.db2.gz HSRMEANEVYOEHL-NSHDSACASA-N 2 1 247.342 1.145 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261710729 135247533 /nfs/dbraw/zinc/24/75/33/135247533.db2.gz PMMUIMISVRYBDY-YPMHNXCESA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261710726 135247592 /nfs/dbraw/zinc/24/75/92/135247592.db2.gz PMMUIMISVRYBDY-AAEUAGOBSA-N 2 1 233.359 1.828 20 0 BDADMP C[N@@H+](CCOc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261765662 135250934 /nfs/dbraw/zinc/25/09/34/135250934.db2.gz LXPJTSFKDPXDHA-OAHLLOKOSA-N 2 1 248.370 1.997 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261782115 135252733 /nfs/dbraw/zinc/25/27/33/135252733.db2.gz FLQVKWLWDABNJI-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C(C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)[C@H]1CCOC1 ZINC000261807643 135254217 /nfs/dbraw/zinc/25/42/17/135254217.db2.gz HMTVQXJVRAVWOJ-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP CCC[C@@]1(CO)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261811344 135254426 /nfs/dbraw/zinc/25/44/26/135254426.db2.gz HRIHHOKRPPIRET-KBPBESRZSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)[C@H](C)O1 ZINC000261823101 135255121 /nfs/dbraw/zinc/25/51/21/135255121.db2.gz INHXESLTEFFMLL-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)[C@H](C)O1 ZINC000261823101 135255122 /nfs/dbraw/zinc/25/51/22/135255122.db2.gz INHXESLTEFFMLL-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP CCC[N@H+](C)Cc1nc(C[C@@H](C)[NH2+]C)no1 ZINC000261824486 135255182 /nfs/dbraw/zinc/25/51/82/135255182.db2.gz QULKOZFFGCRNKX-SECBINFHSA-N 2 1 226.324 1.062 20 0 BDADMP CCC[N@@H+](C)Cc1nc(C[C@@H](C)[NH2+]C)no1 ZINC000261824486 135255183 /nfs/dbraw/zinc/25/51/83/135255183.db2.gz QULKOZFFGCRNKX-SECBINFHSA-N 2 1 226.324 1.062 20 0 BDADMP CC(C)(C)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000261908579 135261412 /nfs/dbraw/zinc/26/14/12/135261412.db2.gz ZMNFAMIBMMJNPZ-CYBMUJFWSA-N 2 1 240.391 1.733 20 0 BDADMP O=c1[nH]ccc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000261901622 135261514 /nfs/dbraw/zinc/26/15/14/135261514.db2.gz YPYKWNMDINCVFZ-UHFFFAOYSA-N 2 1 247.342 1.145 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261922860 135263237 /nfs/dbraw/zinc/26/32/37/135263237.db2.gz KRECXHWALBYCLY-MNOVXSKESA-N 2 1 242.363 1.245 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000262030866 135273657 /nfs/dbraw/zinc/27/36/57/135273657.db2.gz XDJQIAAEAVIQBN-KGLIPLIRSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000262046564 135275780 /nfs/dbraw/zinc/27/57/80/135275780.db2.gz YZBGGKAOJAXBEZ-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044553 135275981 /nfs/dbraw/zinc/27/59/81/135275981.db2.gz PNRVUJZZESORPO-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC[NH2+]C1 ZINC000262042158 135276080 /nfs/dbraw/zinc/27/60/80/135276080.db2.gz PGVZXRZRNBGXBL-OCCSQVGLSA-N 2 1 248.374 1.589 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CC(C)(C)[NH3+])C[C@H]1C ZINC000262041774 135276333 /nfs/dbraw/zinc/27/63/33/135276333.db2.gz YJEXNTXNNPFRGM-VXGBXAGGSA-N 2 1 227.396 1.528 20 0 BDADMP C[N@@H+](CCOCC(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000262078568 135277621 /nfs/dbraw/zinc/27/76/21/135277621.db2.gz DPKZXKMRYAOIJX-SNVBAGLBSA-N 2 1 236.306 1.342 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262128317 135280903 /nfs/dbraw/zinc/28/09/03/135280903.db2.gz CVKJPJVLLIYWIN-GFCCVEGCSA-N 3 1 225.380 1.047 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)CC[C@@H]1CCC[NH+]1C ZINC000342607393 135302794 /nfs/dbraw/zinc/30/27/94/135302794.db2.gz RWAMHLBMILFIKC-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCO1)CC[C@@H]1CCC[N@@H+]1C ZINC000342607393 135302796 /nfs/dbraw/zinc/30/27/96/135302796.db2.gz RWAMHLBMILFIKC-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCO1)CC[C@@H]1CCC[N@H+]1C ZINC000342607393 135302798 /nfs/dbraw/zinc/30/27/98/135302798.db2.gz RWAMHLBMILFIKC-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000334287808 135340160 /nfs/dbraw/zinc/34/01/60/135340160.db2.gz YHKRRZQZEPGLQC-CYBMUJFWSA-N 2 1 248.374 1.481 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000334312618 135351630 /nfs/dbraw/zinc/35/16/30/135351630.db2.gz UIXQGXRCJYQWLU-KCJUWKMLSA-N 2 1 222.336 1.196 20 0 BDADMP C[C@@H]1COCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000334370661 135375088 /nfs/dbraw/zinc/37/50/88/135375088.db2.gz PANMSGXEJFWNRP-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1COCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000334370661 135375090 /nfs/dbraw/zinc/37/50/90/135375090.db2.gz PANMSGXEJFWNRP-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1COCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000334370661 135375091 /nfs/dbraw/zinc/37/50/91/135375091.db2.gz PANMSGXEJFWNRP-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)CC[C@H]1C ZINC000299919808 135381598 /nfs/dbraw/zinc/38/15/98/135381598.db2.gz XEHDDTCYRCLPHF-JHJVBQTASA-N 2 1 228.380 1.717 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)CC[C@H]1C ZINC000299919808 135381599 /nfs/dbraw/zinc/38/15/99/135381599.db2.gz XEHDDTCYRCLPHF-JHJVBQTASA-N 2 1 228.380 1.717 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334412718 135396125 /nfs/dbraw/zinc/39/61/25/135396125.db2.gz LKNRXLAUDXYINP-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334412718 135396126 /nfs/dbraw/zinc/39/61/26/135396126.db2.gz LKNRXLAUDXYINP-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP Cc1cc[nH+]c(NCC2CC[NH+](CCO)CC2)c1 ZINC000347719769 136003732 /nfs/dbraw/zinc/00/37/32/136003732.db2.gz BKSSLZOJJDLJOT-UHFFFAOYSA-N 2 1 249.358 1.506 20 0 BDADMP Cc1csc(C[NH2+][C@H]2CCc3[nH]cnc3C2)n1 ZINC000335306164 136021785 /nfs/dbraw/zinc/02/17/85/136021785.db2.gz HPYUANOPHWOCHM-VIFPVBQESA-N 2 1 248.355 1.822 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C(F)F)CC1 ZINC000348145061 136039354 /nfs/dbraw/zinc/03/93/54/136039354.db2.gz CCUWWCMNLHUCGN-NXEZZACHSA-N 2 1 218.291 1.714 20 0 BDADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)no1 ZINC000335394223 136091905 /nfs/dbraw/zinc/09/19/05/136091905.db2.gz DTXGTKUXTVRVST-PHIMTYICSA-N 2 1 221.304 1.106 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)Nc1cc[nH+]c2ccsc21 ZINC000335595576 136104537 /nfs/dbraw/zinc/10/45/37/136104537.db2.gz OEARDAKSAINKKT-SFYZADRCSA-N 2 1 221.329 1.866 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH3+])[C@@H](C)C2 ZINC000335564593 136107044 /nfs/dbraw/zinc/10/70/44/136107044.db2.gz LAYZAJOQQCSVHR-GXFFZTMASA-N 2 1 204.317 1.777 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000300907529 397784466 /nfs/dbraw/zinc/78/44/66/397784466.db2.gz LMVIJQWTRQMBKK-RYUDHWBXSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)C[C@H](C)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000300907529 397784470 /nfs/dbraw/zinc/78/44/70/397784470.db2.gz LMVIJQWTRQMBKK-RYUDHWBXSA-N 2 1 214.353 1.328 20 0 BDADMP CN1CCC[C@@H]1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000649548820 397944529 /nfs/dbraw/zinc/94/45/29/397944529.db2.gz JBLSNYAKUNARJS-CYBMUJFWSA-N 2 1 248.374 1.683 20 0 BDADMP CCc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000382415200 397948247 /nfs/dbraw/zinc/94/82/47/397948247.db2.gz GXCOMBSUBOSBKG-GHMZBOCLSA-N 2 1 234.347 1.451 20 0 BDADMP Cc1[nH]c2nc[nH+]c(N(C)CCC[NH3+])c2c1C ZINC000647704711 397954396 /nfs/dbraw/zinc/95/43/96/397954396.db2.gz GXDPSVSZNOLBIY-UHFFFAOYSA-N 2 1 233.319 1.360 20 0 BDADMP C[C@H]([NH2+]CC(C)(F)F)C1CC[NH+](C)CC1 ZINC000382173785 397917857 /nfs/dbraw/zinc/91/78/57/397917857.db2.gz XFXMKRXXMDEKSM-VIFPVBQESA-N 2 1 220.307 1.962 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000649617652 398000403 /nfs/dbraw/zinc/00/04/03/398000403.db2.gz RYQLYYFEVCIZNT-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CC[C@]2(CCN(C[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000649617652 398000404 /nfs/dbraw/zinc/00/04/04/398000404.db2.gz RYQLYYFEVCIZNT-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CC[C@]2(CCN(C[C@H]3CCC[N@H+]3C)C2)C1 ZINC000649617652 398000405 /nfs/dbraw/zinc/00/04/05/398000405.db2.gz RYQLYYFEVCIZNT-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP CCC[N@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414676560 398014517 /nfs/dbraw/zinc/01/45/17/398014517.db2.gz VGXBZNLFJXOUME-NWDGAFQWSA-N 2 1 242.363 1.260 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414826540 398048860 /nfs/dbraw/zinc/04/88/60/398048860.db2.gz FQEHQFGKWGMMEL-IHRRRGAJSA-N 3 1 239.407 1.306 20 0 BDADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414826540 398048866 /nfs/dbraw/zinc/04/88/66/398048866.db2.gz FQEHQFGKWGMMEL-IHRRRGAJSA-N 2 1 239.407 1.306 20 0 BDADMP CCC[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)OC ZINC000392292266 398049941 /nfs/dbraw/zinc/04/99/41/398049941.db2.gz MURSIYPYJNOBIG-CYBMUJFWSA-N 2 1 226.364 1.653 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054243814 397972635 /nfs/dbraw/zinc/97/26/35/397972635.db2.gz HPZCPULEFGPAFR-RYUDHWBXSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)CC[N@@H+]1C ZINC000186399522 398065684 /nfs/dbraw/zinc/06/56/84/398065684.db2.gz PQOXHGXWFQVMNG-UPJWGTAASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)CC[N@H+]1C ZINC000186399522 398065689 /nfs/dbraw/zinc/06/56/89/398065689.db2.gz PQOXHGXWFQVMNG-UPJWGTAASA-N 2 1 242.407 1.856 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3c2NCC3)CCC1 ZINC000414869304 398076562 /nfs/dbraw/zinc/07/65/62/398076562.db2.gz AMKYLZMFCOYXSC-UHFFFAOYSA-N 2 1 231.343 1.626 20 0 BDADMP CCOc1cccc(C[NH2+][C@H](C)CC[NH3+])n1 ZINC000414890693 398083265 /nfs/dbraw/zinc/08/32/65/398083265.db2.gz UWFXKGPMSRWYQE-SNVBAGLBSA-N 2 1 223.320 1.307 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322737756 398111284 /nfs/dbraw/zinc/11/12/84/398111284.db2.gz VXVREWIVHOAPEN-PBYDBYKOSA-N 2 1 226.364 1.625 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000527105194 398113774 /nfs/dbraw/zinc/11/37/74/398113774.db2.gz ZXKBFHMCKHMMRT-JHJVBQTASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000527105194 398113778 /nfs/dbraw/zinc/11/37/78/398113778.db2.gz ZXKBFHMCKHMMRT-JHJVBQTASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000527105194 398113782 /nfs/dbraw/zinc/11/37/82/398113782.db2.gz ZXKBFHMCKHMMRT-JHJVBQTASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000527105194 398113783 /nfs/dbraw/zinc/11/37/83/398113783.db2.gz ZXKBFHMCKHMMRT-JHJVBQTASA-N 2 1 226.364 1.295 20 0 BDADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000227923412 487568336 /nfs/dbraw/zinc/56/83/36/487568336.db2.gz FKWGXXWDEDIVLF-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000662265846 409562099 /nfs/dbraw/zinc/56/20/99/409562099.db2.gz JEVUVYFEKZQZTR-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000662265957 409565204 /nfs/dbraw/zinc/56/52/04/409565204.db2.gz UZRDWSJTBBMNAG-SCZZXKLOSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000662265957 409565210 /nfs/dbraw/zinc/56/52/10/409565210.db2.gz UZRDWSJTBBMNAG-SCZZXKLOSA-N 2 1 209.293 1.152 20 0 BDADMP CO[C@@H](C[N@@H+]1CC[C@@H](N)C1)C1CCCC1 ZINC000662241291 409528131 /nfs/dbraw/zinc/52/81/31/409528131.db2.gz RWBFLFXFSZKLJF-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@@H](C[N@@H+]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662241291 409528138 /nfs/dbraw/zinc/52/81/38/409528138.db2.gz RWBFLFXFSZKLJF-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662241291 409528143 /nfs/dbraw/zinc/52/81/43/409528143.db2.gz RWBFLFXFSZKLJF-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000662244138 409534882 /nfs/dbraw/zinc/53/48/82/409534882.db2.gz CRKCLSGTRUXEJG-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC000662244137 409535708 /nfs/dbraw/zinc/53/57/08/409535708.db2.gz CRKCLSGTRUXEJG-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662245750 409539396 /nfs/dbraw/zinc/53/93/96/409539396.db2.gz OGUJSTYOFSLLLO-MWLCHTKSSA-N 2 1 223.320 1.542 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662245750 409539404 /nfs/dbraw/zinc/53/94/04/409539404.db2.gz OGUJSTYOFSLLLO-MWLCHTKSSA-N 2 1 223.320 1.542 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2OCC[C@@H]21)C1CC[NH2+]CC1 ZINC000662297087 409626574 /nfs/dbraw/zinc/62/65/74/409626574.db2.gz AAIOAVRXTDFPMH-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000662310195 409633137 /nfs/dbraw/zinc/63/31/37/409633137.db2.gz HPYROSCTNAMCAI-KGLIPLIRSA-N 2 1 238.375 1.344 20 0 BDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2CCC2)CCO1 ZINC000662318904 409637372 /nfs/dbraw/zinc/63/73/72/409637372.db2.gz ARPUVEORNFXOMX-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662273189 409580150 /nfs/dbraw/zinc/58/01/50/409580150.db2.gz MKUHWSDEEAQJRN-VHSXEESVSA-N 2 1 234.290 1.081 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662273189 409580156 /nfs/dbraw/zinc/58/01/56/409580156.db2.gz MKUHWSDEEAQJRN-VHSXEESVSA-N 2 1 234.290 1.081 20 0 BDADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC([NH3+])C1 ZINC000662274935 409585180 /nfs/dbraw/zinc/58/51/80/409585180.db2.gz ZBSBUVBMZLKNJP-UHFFFAOYSA-N 2 1 245.370 1.254 20 0 BDADMP CN(Cc1cccc2c1CC[NH2+]C2)C1CC([NH3+])C1 ZINC000662274935 409585189 /nfs/dbraw/zinc/58/51/89/409585189.db2.gz ZBSBUVBMZLKNJP-UHFFFAOYSA-N 2 1 245.370 1.254 20 0 BDADMP CC(C)=CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662277480 409593782 /nfs/dbraw/zinc/59/37/82/409593782.db2.gz VFJDVQNBMKEIJG-CQSZACIVSA-N 2 1 237.391 1.322 20 0 BDADMP CC[N@H+]1CCCN(C[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000660790036 409748748 /nfs/dbraw/zinc/74/87/48/409748748.db2.gz TYIATRZBMVTPFJ-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCCN(C[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000660790036 409748754 /nfs/dbraw/zinc/74/87/54/409748754.db2.gz TYIATRZBMVTPFJ-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCCN(C[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000660790036 409748760 /nfs/dbraw/zinc/74/87/60/409748760.db2.gz TYIATRZBMVTPFJ-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000214068558 409793482 /nfs/dbraw/zinc/79/34/82/409793482.db2.gz DIEGNJCHXUMNGW-NWDGAFQWSA-N 2 1 249.358 1.710 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC1([NH3+])CC1 ZINC000662791867 409921406 /nfs/dbraw/zinc/92/14/06/409921406.db2.gz NJBRCYGGUGILAQ-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CCn1nccc1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000663512668 410282582 /nfs/dbraw/zinc/28/25/82/410282582.db2.gz HGDPZFVYGDDGTR-VXGBXAGGSA-N 2 1 236.363 1.523 20 0 BDADMP c1cc2c(c(C[N@@H+]3CCC[NH2+]CC3)c1)CCC2 ZINC000650702615 410332346 /nfs/dbraw/zinc/33/23/46/410332346.db2.gz MTNXIOOSIYVGNO-UHFFFAOYSA-N 2 1 230.355 1.971 20 0 BDADMP c1cc2c(c(C[N@H+]3CCC[NH2+]CC3)c1)CCC2 ZINC000650702615 410332350 /nfs/dbraw/zinc/33/23/50/410332350.db2.gz MTNXIOOSIYVGNO-UHFFFAOYSA-N 2 1 230.355 1.971 20 0 BDADMP CCN1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650714347 410347540 /nfs/dbraw/zinc/34/75/40/410347540.db2.gz ZQTQWRFMGXMMNT-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP C[N@H+]1CCN(CCC[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000650720523 410358500 /nfs/dbraw/zinc/35/85/00/410358500.db2.gz RUWNZOGNAOHECB-HNNXBMFYSA-N 2 1 247.386 1.194 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1c[nH+]ccc1N ZINC000650742938 410376842 /nfs/dbraw/zinc/37/68/42/410376842.db2.gz IRAXHICPKKTLAX-ZFWZSOMGSA-N 2 1 233.315 1.465 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[NH3+])cc1F ZINC000650755783 410400472 /nfs/dbraw/zinc/40/04/72/410400472.db2.gz MQRQMERNCXKGEY-VHSXEESVSA-N 2 1 239.338 1.500 20 0 BDADMP C[C@@H](COCC1CC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000650761068 410408765 /nfs/dbraw/zinc/40/87/65/410408765.db2.gz RKUGHEWZUGOGDH-GVXVVHGQSA-N 2 1 226.364 1.532 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC1(C)C ZINC000309268268 410690398 /nfs/dbraw/zinc/69/03/98/410690398.db2.gz QOOFGHANSKGHMG-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC1(C)C ZINC000309268268 410690405 /nfs/dbraw/zinc/69/04/05/410690405.db2.gz QOOFGHANSKGHMG-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000309268268 410690410 /nfs/dbraw/zinc/69/04/10/410690410.db2.gz QOOFGHANSKGHMG-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000309268268 410690416 /nfs/dbraw/zinc/69/04/16/410690416.db2.gz QOOFGHANSKGHMG-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000665271723 410741120 /nfs/dbraw/zinc/74/11/20/410741120.db2.gz RDPZPEVHPZQCRH-ONERCXAPSA-N 2 1 245.370 1.986 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH2+]C)C12CCCC2 ZINC000665296004 410803121 /nfs/dbraw/zinc/80/31/21/410803121.db2.gz LNBUEMIQRBCSRF-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000309300777 410748602 /nfs/dbraw/zinc/74/86/02/410748602.db2.gz YFGNPWYWPGUZRD-UPJWGTAASA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000309300777 410748606 /nfs/dbraw/zinc/74/86/06/410748606.db2.gz YFGNPWYWPGUZRD-UPJWGTAASA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000336677710 167390702 /nfs/dbraw/zinc/39/07/02/167390702.db2.gz QGYAWMPBCJDWMX-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP CCO[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000042425558 411005417 /nfs/dbraw/zinc/00/54/17/411005417.db2.gz NWISSPOWZRFQTP-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000042425558 411005421 /nfs/dbraw/zinc/00/54/21/411005421.db2.gz NWISSPOWZRFQTP-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655936657 411159232 /nfs/dbraw/zinc/15/92/32/411159232.db2.gz KHDAFYZZFZMQCH-LLVKDONJSA-N 2 1 245.326 1.651 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2COC(C)(C)C2)C1 ZINC000659989134 411159385 /nfs/dbraw/zinc/15/93/85/411159385.db2.gz CLRYRCGZAIGBMW-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659989134 411159390 /nfs/dbraw/zinc/15/93/90/411159390.db2.gz CLRYRCGZAIGBMW-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659989134 411159392 /nfs/dbraw/zinc/15/93/92/411159392.db2.gz CLRYRCGZAIGBMW-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP COC1([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CCC1 ZINC000657936566 411173372 /nfs/dbraw/zinc/17/33/72/411173372.db2.gz GHIOLEIZOSNUPP-LBPRGKRZSA-N 2 1 238.375 1.796 20 0 BDADMP C[N@@H+](CCN1CC[NH2+]CC1)CCC(C)(C)C ZINC000070800419 411183519 /nfs/dbraw/zinc/18/35/19/411183519.db2.gz PMHQUBXJKDWXBL-UHFFFAOYSA-N 2 1 227.396 1.260 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000655754902 411184329 /nfs/dbraw/zinc/18/43/29/411184329.db2.gz XMOPJAOBRMRNOD-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP CCOc1ncccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198016 411203098 /nfs/dbraw/zinc/20/30/98/411203098.db2.gz BODRQZLCFQOUBC-OLZOCXBDSA-N 2 1 249.358 1.840 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000656197374 411203329 /nfs/dbraw/zinc/20/33/29/411203329.db2.gz DCVJUIJKSHSDFB-RDBSUJKOSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)C1 ZINC000656197374 411203331 /nfs/dbraw/zinc/20/33/31/411203331.db2.gz DCVJUIJKSHSDFB-RDBSUJKOSA-N 2 1 237.391 1.330 20 0 BDADMP COCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000656200018 411204009 /nfs/dbraw/zinc/20/40/09/411204009.db2.gz IJVHIZPPNUNCQR-GHMZBOCLSA-N 2 1 212.337 1.001 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCC(C)(C)C ZINC000652341671 411206474 /nfs/dbraw/zinc/20/64/74/411206474.db2.gz FYOBFTKKOKWMBX-LBPRGKRZSA-N 2 1 216.369 1.325 20 0 BDADMP Cc1ncsc1C[NH2+]CC1([NH3+])CCCC1 ZINC000070838195 411231645 /nfs/dbraw/zinc/23/16/45/411231645.db2.gz XMIAPCXGAZZFIE-UHFFFAOYSA-N 2 1 225.361 1.813 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)C1CCSCC1 ZINC000423327041 411238754 /nfs/dbraw/zinc/23/87/54/411238754.db2.gz NHJGLCRQQUVRMT-BDAKNGLRSA-N 2 1 202.367 1.455 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658170997 411281222 /nfs/dbraw/zinc/28/12/22/411281222.db2.gz ZBHIFHPBGWIZFP-OUAUKWLOSA-N 2 1 200.326 1.094 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C12CCC2 ZINC000401689631 411283689 /nfs/dbraw/zinc/28/36/89/411283689.db2.gz ZVEYHJZHCBFUDG-STQMWFEESA-N 2 1 249.358 1.510 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)CC[N@H+]1C ZINC000658202072 411291198 /nfs/dbraw/zinc/29/11/98/411291198.db2.gz UPFZLGNAFRIDLK-YPMHNXCESA-N 2 1 222.332 1.894 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)C1CCOCC1 ZINC000401715192 411299031 /nfs/dbraw/zinc/29/90/31/411299031.db2.gz KPZPLMSCHDUTPL-DMDPSCGWSA-N 2 1 226.364 1.389 20 0 BDADMP CC[C@H]([NH2+]C)c1nc(C2([NH3+])CCCC2)no1 ZINC000656561779 411301890 /nfs/dbraw/zinc/30/18/90/411301890.db2.gz WZVXANFMAORWRL-QMMMGPOBSA-N 2 1 224.308 1.468 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309322484 411324245 /nfs/dbraw/zinc/32/42/45/411324245.db2.gz HFDRYQUOZOGSAF-OLZOCXBDSA-N 3 1 229.412 1.824 20 0 BDADMP CC(C)(C)[C@@H]([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656441315 411260261 /nfs/dbraw/zinc/26/02/61/411260261.db2.gz YRMCAQGERUWIKO-NSHDSACASA-N 2 1 231.303 1.708 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(N)c1 ZINC000656785097 411354267 /nfs/dbraw/zinc/35/42/67/411354267.db2.gz LHEKWYVZIJEZMY-ZDUSSCGKSA-N 2 1 221.348 1.732 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656784553 411361407 /nfs/dbraw/zinc/36/14/07/411361407.db2.gz BWSFUAIDBPKOCJ-MNOVXSKESA-N 3 1 233.359 1.158 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)CC(C)(C)[NH3+])c1 ZINC000656784272 411361832 /nfs/dbraw/zinc/36/18/32/411361832.db2.gz DCGIMEOQQIDXKY-UHFFFAOYSA-N 2 1 237.347 1.568 20 0 BDADMP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000656789582 411369387 /nfs/dbraw/zinc/36/93/87/411369387.db2.gz RPZFGDLERZZWTF-JHJVBQTASA-N 2 1 237.391 1.236 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000656791751 411371914 /nfs/dbraw/zinc/37/19/14/411371914.db2.gz JLLXGYOPYRHAKJ-AGIUHOORSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCCCO1 ZINC000216164688 411345293 /nfs/dbraw/zinc/34/52/93/411345293.db2.gz HLSTXJOTOCQHAY-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309436175 411383261 /nfs/dbraw/zinc/38/32/61/411383261.db2.gz MWQBFPHAKWZNMD-WCQYABFASA-N 2 1 219.332 1.813 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927430 411384026 /nfs/dbraw/zinc/38/40/26/411384026.db2.gz QKIRUHTVPFPIDK-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CO1 ZINC000657294487 411455474 /nfs/dbraw/zinc/45/54/74/411455474.db2.gz REXGNRDIMZTHAH-RYUDHWBXSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])on1 ZINC000404376644 411392657 /nfs/dbraw/zinc/39/26/57/411392657.db2.gz KYNONUQTLKMFSZ-GWCFXTLKSA-N 2 1 237.347 1.932 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN1Cc2ccccc2[C@H]1C ZINC000653562822 411421686 /nfs/dbraw/zinc/42/16/86/411421686.db2.gz LEVCHFUJULKHPS-TZMCWYRMSA-N 2 1 248.370 1.876 20 0 BDADMP CCO[C@@H]1C[N@@H+]([C@H](C)c2ccccn2)C[C@H]1C[NH3+] ZINC000405269735 411422230 /nfs/dbraw/zinc/42/22/30/411422230.db2.gz UIUHBBJFCYJTNU-YRGRVCCFSA-N 2 1 249.358 1.438 20 0 BDADMP CCO[C@@H]1C[N@H+]([C@H](C)c2ccccn2)C[C@H]1C[NH3+] ZINC000405269735 411422233 /nfs/dbraw/zinc/42/22/33/411422233.db2.gz UIUHBBJFCYJTNU-YRGRVCCFSA-N 2 1 249.358 1.438 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568298 411423223 /nfs/dbraw/zinc/42/32/23/411423223.db2.gz QETRUWZNKOZIOM-CQSZACIVSA-N 2 1 249.358 1.465 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568298 411423225 /nfs/dbraw/zinc/42/32/25/411423225.db2.gz QETRUWZNKOZIOM-CQSZACIVSA-N 2 1 249.358 1.465 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000653593806 411429076 /nfs/dbraw/zinc/42/90/76/411429076.db2.gz QQJKGPFIPMZJJM-SNVBAGLBSA-N 2 1 243.301 1.940 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000653593806 411429080 /nfs/dbraw/zinc/42/90/80/411429080.db2.gz QQJKGPFIPMZJJM-SNVBAGLBSA-N 2 1 243.301 1.940 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000414707562 411440221 /nfs/dbraw/zinc/44/02/21/411440221.db2.gz IAVBJZRVQBKPPF-SRVKXCTJSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](C)(F)C2)CC[NH2+]1 ZINC000414755974 411443612 /nfs/dbraw/zinc/44/36/12/411443612.db2.gz IOJNFKVTLXEEGS-UTUOFQBUSA-N 2 1 214.328 1.808 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H](C)C1 ZINC000653642421 411452239 /nfs/dbraw/zinc/45/22/39/411452239.db2.gz DEPCMSIYKVXBCS-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H](C)C1 ZINC000653642421 411452242 /nfs/dbraw/zinc/45/22/42/411452242.db2.gz DEPCMSIYKVXBCS-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000653642421 411452245 /nfs/dbraw/zinc/45/22/45/411452245.db2.gz DEPCMSIYKVXBCS-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000653642421 411452246 /nfs/dbraw/zinc/45/22/46/411452246.db2.gz DEPCMSIYKVXBCS-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H](NCc1cnc2n1CCC2)c1cnn(C)c1 ZINC000657373755 411482519 /nfs/dbraw/zinc/48/25/19/411482519.db2.gz BAVKDULXJBHXJZ-JTQLQIEISA-N 2 1 245.330 1.414 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CO1 ZINC000657376525 411485688 /nfs/dbraw/zinc/48/56/88/411485688.db2.gz RRJIMERWVSTKBG-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CO1 ZINC000657376525 411485691 /nfs/dbraw/zinc/48/56/91/411485691.db2.gz RRJIMERWVSTKBG-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)C[C@H](N)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415011686 411488161 /nfs/dbraw/zinc/48/81/61/411488161.db2.gz HUZMQFIRQDZCED-RYUDHWBXSA-N 2 1 215.385 1.467 20 0 BDADMP CCC(CC)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000660420056 411492903 /nfs/dbraw/zinc/49/29/03/411492903.db2.gz NMMPMHGYDDCTNH-UHFFFAOYSA-N 2 1 236.363 1.968 20 0 BDADMP CC[NH+]1CCC([NH2+]C2(CO)CCCC2)CC1 ZINC000336648204 169954525 /nfs/dbraw/zinc/95/45/25/169954525.db2.gz BCGBRJSVTLVTON-UHFFFAOYSA-N 2 1 226.364 1.365 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000659929026 411501430 /nfs/dbraw/zinc/50/14/30/411501430.db2.gz WIPCOOOROTWWLF-ZDUSSCGKSA-N 2 1 208.349 1.836 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CO1 ZINC000657427392 411504149 /nfs/dbraw/zinc/50/41/49/411504149.db2.gz MXPKQVXYEYEVGF-OLZOCXBDSA-N 2 1 224.348 1.405 20 0 BDADMP COC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000659983457 411518241 /nfs/dbraw/zinc/51/82/41/411518241.db2.gz MOPOQBXOORGKFO-AVGNSLFASA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000659983457 411518244 /nfs/dbraw/zinc/51/82/44/411518244.db2.gz MOPOQBXOORGKFO-AVGNSLFASA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000659983457 411518246 /nfs/dbraw/zinc/51/82/46/411518246.db2.gz MOPOQBXOORGKFO-AVGNSLFASA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000659983457 411518249 /nfs/dbraw/zinc/51/82/49/411518249.db2.gz MOPOQBXOORGKFO-AVGNSLFASA-N 2 1 244.379 1.062 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(COC)CC2)[C@H](C)C1 ZINC000655817259 411528391 /nfs/dbraw/zinc/52/83/91/411528391.db2.gz JYKIUYJNFXEBRB-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371299443 170004261 /nfs/dbraw/zinc/00/42/61/170004261.db2.gz HAWMDVSBFFVRPD-GRYCIOLGSA-N 2 1 212.337 1.190 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000037484297 170008661 /nfs/dbraw/zinc/00/86/61/170008661.db2.gz PJCMVWKBNBQIRA-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484189 170008742 /nfs/dbraw/zinc/00/87/42/170008742.db2.gz PUXBJHISYDHREO-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484189 170008743 /nfs/dbraw/zinc/00/87/43/170008743.db2.gz PUXBJHISYDHREO-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000120281468 170016031 /nfs/dbraw/zinc/01/60/31/170016031.db2.gz SLDVMTLEWAVPDO-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484196 170016116 /nfs/dbraw/zinc/01/61/16/170016116.db2.gz PXYBXPAPGHKADS-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000085590813 170016566 /nfs/dbraw/zinc/01/65/66/170016566.db2.gz UORDSATTXYUXBQ-CYBMUJFWSA-N 2 1 221.348 1.457 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@]2(C)CCCO2)C1 ZINC000340189019 170016571 /nfs/dbraw/zinc/01/65/71/170016571.db2.gz SIGVGVBEZJMWOJ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CCn1cc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cn1 ZINC000050539552 170016671 /nfs/dbraw/zinc/01/66/71/170016671.db2.gz PQOXNAFYRQJXBA-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cn1 ZINC000050539552 170016672 /nfs/dbraw/zinc/01/66/72/170016672.db2.gz PQOXNAFYRQJXBA-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328440713 170016675 /nfs/dbraw/zinc/01/66/75/170016675.db2.gz MJWXFPQWAMTDLR-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCOC2)[C@@H](C)C1 ZINC000336717193 170018634 /nfs/dbraw/zinc/01/86/34/170018634.db2.gz WEQIMNQLBVDWTG-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCOC2)[C@@H](C)C1 ZINC000336717193 170018635 /nfs/dbraw/zinc/01/86/35/170018635.db2.gz WEQIMNQLBVDWTG-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCOC2)[C@@H](C)C1 ZINC000336717193 170018637 /nfs/dbraw/zinc/01/86/37/170018637.db2.gz WEQIMNQLBVDWTG-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOC2)C[C@@H]1C ZINC000336692754 170019860 /nfs/dbraw/zinc/01/98/60/170019860.db2.gz IRVYKIJNRODLQF-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCOC2)C[C@@H]1C ZINC000336692754 170019862 /nfs/dbraw/zinc/01/98/62/170019862.db2.gz IRVYKIJNRODLQF-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCOC2)C[C@@H]1C ZINC000336692754 170019863 /nfs/dbraw/zinc/01/98/63/170019863.db2.gz IRVYKIJNRODLQF-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCO2)[C@@H](C)C1 ZINC000336712199 170019952 /nfs/dbraw/zinc/01/99/52/170019952.db2.gz RPLOZQBBNNFJSL-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCO2)[C@@H](C)C1 ZINC000336712199 170019953 /nfs/dbraw/zinc/01/99/53/170019953.db2.gz RPLOZQBBNNFJSL-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCO2)[C@@H](C)C1 ZINC000336712199 170019955 /nfs/dbraw/zinc/01/99/55/170019955.db2.gz RPLOZQBBNNFJSL-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnccn2)[C@H](C)C1 ZINC000341887059 170020279 /nfs/dbraw/zinc/02/02/79/170020279.db2.gz KEFQGJDNPRKXLA-OCCSQVGLSA-N 2 1 248.374 1.339 20 0 BDADMP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000657559775 411550807 /nfs/dbraw/zinc/55/08/07/411550807.db2.gz QSRDEZGBZBLGKI-MJBXVCDLSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660268683 411562451 /nfs/dbraw/zinc/56/24/51/411562451.db2.gz IBCRJZFLIHGOPH-RQJABVFESA-N 2 1 242.407 1.571 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660268683 411562453 /nfs/dbraw/zinc/56/24/53/411562453.db2.gz IBCRJZFLIHGOPH-RQJABVFESA-N 2 1 242.407 1.571 20 0 BDADMP CCOCC(C)(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000339374460 170354748 /nfs/dbraw/zinc/35/47/48/170354748.db2.gz BUWBHAVLAJQEOV-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000120002138 170374829 /nfs/dbraw/zinc/37/48/29/170374829.db2.gz SPQJQGPXDYEWAX-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CCOCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336655787 170375425 /nfs/dbraw/zinc/37/54/25/170375425.db2.gz AAMJCZMEFGUDAM-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP CCOCC[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000082537226 170394870 /nfs/dbraw/zinc/39/48/70/170394870.db2.gz GYMPXIHELVCDSP-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657822747 411607141 /nfs/dbraw/zinc/60/71/41/411607141.db2.gz AKBBTUOYMZNIBO-NSHDSACASA-N 2 1 228.405 1.956 20 0 BDADMP CCOCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656050 411613138 /nfs/dbraw/zinc/61/31/38/411613138.db2.gz PINGXMAHOGXGJY-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656050 411613139 /nfs/dbraw/zinc/61/31/39/411613139.db2.gz PINGXMAHOGXGJY-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656050 411613142 /nfs/dbraw/zinc/61/31/42/411613142.db2.gz PINGXMAHOGXGJY-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCCO1)C2 ZINC000660655067 411613432 /nfs/dbraw/zinc/61/34/32/411613432.db2.gz KGZUIUHWVHEEST-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCCO1)C2 ZINC000660655067 411613434 /nfs/dbraw/zinc/61/34/34/411613434.db2.gz KGZUIUHWVHEEST-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCCO1)C2 ZINC000660655067 411613435 /nfs/dbraw/zinc/61/34/35/411613435.db2.gz KGZUIUHWVHEEST-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657865272 411614303 /nfs/dbraw/zinc/61/43/03/411614303.db2.gz WEXFGRXZBPIXOJ-LBPRGKRZSA-N 2 1 235.331 1.493 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1cn[nH]c1)C2 ZINC000660661747 411614682 /nfs/dbraw/zinc/61/46/82/411614682.db2.gz FYWJYJWMRBHSBO-AWEZNQCLSA-N 2 1 248.374 1.370 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1cn[nH]c1)C2 ZINC000660661747 411614683 /nfs/dbraw/zinc/61/46/83/411614683.db2.gz FYWJYJWMRBHSBO-AWEZNQCLSA-N 2 1 248.374 1.370 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1cn[nH]c1)C2 ZINC000660661747 411614685 /nfs/dbraw/zinc/61/46/85/411614685.db2.gz FYWJYJWMRBHSBO-AWEZNQCLSA-N 2 1 248.374 1.370 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C(F)F ZINC000657874869 411614970 /nfs/dbraw/zinc/61/49/70/411614970.db2.gz BURDNDMYKFFANT-BDAKNGLRSA-N 2 1 238.322 1.178 20 0 BDADMP OCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675041 411616920 /nfs/dbraw/zinc/61/69/20/411616920.db2.gz WKDLPOBZZAHVSR-UHFFFAOYSA-N 2 1 248.370 1.623 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1C ZINC000133121541 411621518 /nfs/dbraw/zinc/62/15/18/411621518.db2.gz GOZIUUAOASGQDA-SWLSCSKDSA-N 2 1 248.370 1.751 20 0 BDADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000663578592 411705824 /nfs/dbraw/zinc/70/58/24/411705824.db2.gz GUFNOJUQBNLXQI-LBPRGKRZSA-N 2 1 249.358 1.636 20 0 BDADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000663578592 411705827 /nfs/dbraw/zinc/70/58/27/411705827.db2.gz GUFNOJUQBNLXQI-LBPRGKRZSA-N 2 1 249.358 1.636 20 0 BDADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000663578592 411705831 /nfs/dbraw/zinc/70/58/31/411705831.db2.gz GUFNOJUQBNLXQI-LBPRGKRZSA-N 2 1 249.358 1.636 20 0 BDADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086727097 487536467 /nfs/dbraw/zinc/53/64/67/487536467.db2.gz KQKWEYPATTXOFE-NXEZZACHSA-N 2 1 210.346 1.631 20 0 BDADMP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086727099 487536648 /nfs/dbraw/zinc/53/66/48/487536648.db2.gz KQKWEYPATTXOFE-UWVGGRQHSA-N 2 1 210.346 1.631 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000663504147 411687016 /nfs/dbraw/zinc/68/70/16/411687016.db2.gz WVIGLINYJYFUHP-BFHYXJOUSA-N 2 1 241.423 1.680 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000663504147 411687023 /nfs/dbraw/zinc/68/70/23/411687023.db2.gz WVIGLINYJYFUHP-BFHYXJOUSA-N 3 1 241.423 1.680 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000663504147 411687027 /nfs/dbraw/zinc/68/70/27/411687027.db2.gz WVIGLINYJYFUHP-BFHYXJOUSA-N 3 1 241.423 1.680 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000663504149 411687807 /nfs/dbraw/zinc/68/78/07/411687807.db2.gz WVIGLINYJYFUHP-MGPQQGTHSA-N 2 1 241.423 1.680 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000663504149 411687813 /nfs/dbraw/zinc/68/78/13/411687813.db2.gz WVIGLINYJYFUHP-MGPQQGTHSA-N 3 1 241.423 1.680 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000663504149 411687817 /nfs/dbraw/zinc/68/78/17/411687817.db2.gz WVIGLINYJYFUHP-MGPQQGTHSA-N 3 1 241.423 1.680 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661701983 411848193 /nfs/dbraw/zinc/84/81/93/411848193.db2.gz UFLMNFJFECZFSC-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661701983 411848197 /nfs/dbraw/zinc/84/81/97/411848197.db2.gz UFLMNFJFECZFSC-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661701983 411848201 /nfs/dbraw/zinc/84/82/01/411848201.db2.gz UFLMNFJFECZFSC-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661824767 411892865 /nfs/dbraw/zinc/89/28/65/411892865.db2.gz COZGOCLZZSHWNO-STQMWFEESA-N 2 1 249.358 1.246 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664244095 411896100 /nfs/dbraw/zinc/89/61/00/411896100.db2.gz VTZKYEHTAJYPKR-STQMWFEESA-N 2 1 249.358 1.333 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664244095 411896105 /nfs/dbraw/zinc/89/61/05/411896105.db2.gz VTZKYEHTAJYPKR-STQMWFEESA-N 2 1 249.358 1.333 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030213 411946135 /nfs/dbraw/zinc/94/61/35/411946135.db2.gz LHUKBMFCPQSQGF-QWHCGFSZSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030213 411946140 /nfs/dbraw/zinc/94/61/40/411946140.db2.gz LHUKBMFCPQSQGF-QWHCGFSZSA-N 2 1 249.358 1.321 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662244968 412040826 /nfs/dbraw/zinc/04/08/26/412040826.db2.gz KHMLACWFYIJWMJ-NWDGAFQWSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662244968 412040827 /nfs/dbraw/zinc/04/08/27/412040827.db2.gz KHMLACWFYIJWMJ-NWDGAFQWSA-N 2 1 234.347 1.344 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](OC)C1CCC1 ZINC000662244599 412041147 /nfs/dbraw/zinc/04/11/47/412041147.db2.gz IUJPHDJZDMXBCW-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](OC)C1CCC1 ZINC000662244599 412041149 /nfs/dbraw/zinc/04/11/49/412041149.db2.gz IUJPHDJZDMXBCW-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP CCCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248875 412046007 /nfs/dbraw/zinc/04/60/07/412046007.db2.gz DLQLOGRVHRZHFO-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662249317 412046848 /nfs/dbraw/zinc/04/68/48/412046848.db2.gz SWPFFRJMVQDKKS-GFCCVEGCSA-N 2 1 224.348 1.382 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C ZINC000662251360 412048404 /nfs/dbraw/zinc/04/84/04/412048404.db2.gz AQGXYACFTBBASM-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662253452 412049053 /nfs/dbraw/zinc/04/90/53/412049053.db2.gz WBKXNSPXHZYRMJ-CYBMUJFWSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000662256974 412051867 /nfs/dbraw/zinc/05/18/67/412051867.db2.gz KVIBUHXAYIEEIV-UPJWGTAASA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662257449 412051950 /nfs/dbraw/zinc/05/19/50/412051950.db2.gz SDPUCDSOJXLNGA-GFCCVEGCSA-N 2 1 224.348 1.382 20 0 BDADMP CCC[N@@H+](C[C@H](COC)OC)C1CC[NH2+]CC1 ZINC000662262000 412052802 /nfs/dbraw/zinc/05/28/02/412052802.db2.gz CSZNHPKSNQGEMF-CYBMUJFWSA-N 2 1 244.379 1.112 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258860 412053207 /nfs/dbraw/zinc/05/32/07/412053207.db2.gz MWMPVPJOELXIFE-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(C2CC2)no1 ZINC000662264747 412055740 /nfs/dbraw/zinc/05/57/40/412055740.db2.gz KMWBHJGEEJCNAG-UWVGGRQHSA-N 2 1 235.331 1.721 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(C2CC2)no1 ZINC000662264747 412055743 /nfs/dbraw/zinc/05/57/43/412055743.db2.gz KMWBHJGEEJCNAG-UWVGGRQHSA-N 2 1 235.331 1.721 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)C1CCC1 ZINC000662264730 412056007 /nfs/dbraw/zinc/05/60/07/412056007.db2.gz JZZIBWUBGCERCY-GMXVVIOVSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662264249 412056181 /nfs/dbraw/zinc/05/61/81/412056181.db2.gz HADRUDYXUPLSLZ-NJMOYASZSA-N 2 1 208.349 1.702 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C1CCC1 ZINC000662264729 412056598 /nfs/dbraw/zinc/05/65/98/412056598.db2.gz JZZIBWUBGCERCY-DMDPSCGWSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)C1CCCC1 ZINC000662266430 412057943 /nfs/dbraw/zinc/05/79/43/412057943.db2.gz YZCZLOVVKCDGMO-SGMGOOAPSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000042451977 171112123 /nfs/dbraw/zinc/11/21/23/171112123.db2.gz JHQOVMSFVBTHLZ-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cc(C)ncn2)CC[C@H]1[NH3+] ZINC000662273639 412064793 /nfs/dbraw/zinc/06/47/93/412064793.db2.gz XFXZJKNBCQCRQR-DGCLKSJQSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)CC[C@H]1[NH3+] ZINC000662273639 412064796 /nfs/dbraw/zinc/06/47/96/412064796.db2.gz XFXZJKNBCQCRQR-DGCLKSJQSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000346083261 171129279 /nfs/dbraw/zinc/12/92/79/171129279.db2.gz QSUKYNCTVXFONZ-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C1CCC1 ZINC000662280831 412071071 /nfs/dbraw/zinc/07/10/71/412071071.db2.gz GECCOVXTEAQBCX-IACUBPJLSA-N 2 1 240.391 1.718 20 0 BDADMP Cc1ccccc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285327 412076737 /nfs/dbraw/zinc/07/67/37/412076737.db2.gz ANTSZWWABOUTST-UHFFFAOYSA-N 2 1 234.343 1.199 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000662284813 412076909 /nfs/dbraw/zinc/07/69/09/412076909.db2.gz PQUPSSPJGBQRGY-HNNXBMFYSA-N 2 1 248.370 1.841 20 0 BDADMP Cc1cccc(C)c1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285945 412077060 /nfs/dbraw/zinc/07/70/60/412077060.db2.gz BNTDCGZKEUDUFQ-UHFFFAOYSA-N 2 1 248.370 1.508 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)nc(C)n1 ZINC000662282263 412072019 /nfs/dbraw/zinc/07/20/19/412072019.db2.gz ODZLXBKMFRYVMF-GXFFZTMASA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)nc(C)n1 ZINC000662282263 412072021 /nfs/dbraw/zinc/07/20/21/412072021.db2.gz ODZLXBKMFRYVMF-GXFFZTMASA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ncn1 ZINC000662282032 412073133 /nfs/dbraw/zinc/07/31/33/412073133.db2.gz BBDBHWYCCMOLDI-UHTWSYAYSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ncn1 ZINC000662282032 412073134 /nfs/dbraw/zinc/07/31/34/412073134.db2.gz BBDBHWYCCMOLDI-UHTWSYAYSA-N 2 1 248.374 1.590 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000300424441 171305949 /nfs/dbraw/zinc/30/59/49/171305949.db2.gz TXPMSMVGWISGFH-NWDGAFQWSA-N 2 1 243.395 1.064 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662287127 412079482 /nfs/dbraw/zinc/07/94/82/412079482.db2.gz WHMWFLTZSVWXMM-JTQLQIEISA-N 2 1 212.337 1.238 20 0 BDADMP CO[C@H](C[N@H+](C)CC(C)(C)[NH3+])C1CCC1 ZINC000662293219 412082092 /nfs/dbraw/zinc/08/20/92/412082092.db2.gz DJLLXWBTWSSIQI-LLVKDONJSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CCC1 ZINC000662293219 412082094 /nfs/dbraw/zinc/08/20/94/412082094.db2.gz DJLLXWBTWSSIQI-LLVKDONJSA-N 2 1 214.353 1.471 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2CC1(C)C2 ZINC000662385597 412138038 /nfs/dbraw/zinc/13/80/38/412138038.db2.gz XQRDOBYRRZNOHO-OTTFEQOBSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2CC1(C)C2 ZINC000662385597 412138042 /nfs/dbraw/zinc/13/80/42/412138042.db2.gz XQRDOBYRRZNOHO-OTTFEQOBSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2CC1(C)C2 ZINC000662385597 412138045 /nfs/dbraw/zinc/13/80/45/412138045.db2.gz XQRDOBYRRZNOHO-OTTFEQOBSA-N 2 1 208.349 1.955 20 0 BDADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662301737 412089877 /nfs/dbraw/zinc/08/98/77/412089877.db2.gz SCKLWUSGUBCDLI-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662306628 412090543 /nfs/dbraw/zinc/09/05/43/412090543.db2.gz RINLTXXYPITIAG-CQSZACIVSA-N 2 1 240.391 1.864 20 0 BDADMP C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000662315458 412096129 /nfs/dbraw/zinc/09/61/29/412096129.db2.gz PVOTUUVYTOVADB-CHWSQXEVSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662317606 412098568 /nfs/dbraw/zinc/09/85/68/412098568.db2.gz XVVZGTGUYDSLNH-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC[NH3+] ZINC000662318999 412098715 /nfs/dbraw/zinc/09/87/15/412098715.db2.gz IQUGBMXCLLGNDG-YOGCLGLASA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319256 412098999 /nfs/dbraw/zinc/09/89/99/412098999.db2.gz LLJZVIFAEQIYTM-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000662318271 412099266 /nfs/dbraw/zinc/09/92/66/412099266.db2.gz XNLUBENJFRPGGD-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP CC[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321248 412100084 /nfs/dbraw/zinc/10/00/84/412100084.db2.gz ABDOHHFZIOJOOE-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326189 412102741 /nfs/dbraw/zinc/10/27/41/412102741.db2.gz VZYBSNAFIGHQOZ-STQMWFEESA-N 2 1 244.379 1.064 20 0 BDADMP C[NH2+]CCC[N@H+](C)CC1=CCSC1 ZINC000662328154 412104809 /nfs/dbraw/zinc/10/48/09/412104809.db2.gz ZJQITAKZKLSEHG-UHFFFAOYSA-N 2 1 200.351 1.201 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC1=CCSC1 ZINC000662328154 412104813 /nfs/dbraw/zinc/10/48/13/412104813.db2.gz ZJQITAKZKLSEHG-UHFFFAOYSA-N 2 1 200.351 1.201 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328804 412105372 /nfs/dbraw/zinc/10/53/72/412105372.db2.gz VHVOPLPIOZAYEH-DCBWTQNWSA-N 2 1 216.328 1.955 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328804 412105376 /nfs/dbraw/zinc/10/53/76/412105376.db2.gz VHVOPLPIOZAYEH-DCBWTQNWSA-N 2 1 216.328 1.955 20 0 BDADMP CC12CC(C1)C[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000662337036 412106817 /nfs/dbraw/zinc/10/68/17/412106817.db2.gz ILLKDFMGNBTKAY-PNESKVBLSA-N 2 1 208.349 1.860 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000665236748 412175838 /nfs/dbraw/zinc/17/58/38/412175838.db2.gz SSXZJOXHKBCWBI-AVGNSLFASA-N 2 1 239.407 1.576 20 0 BDADMP Cc1ccncc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000665239694 412181301 /nfs/dbraw/zinc/18/13/01/412181301.db2.gz XQWOSQRNGBUNTB-GXTWGEPZSA-N 2 1 233.359 1.520 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cn[nH]c1 ZINC000665246634 412190338 /nfs/dbraw/zinc/19/03/38/412190338.db2.gz JYIGIQCRZXQJNL-VIFPVBQESA-N 2 1 208.309 1.332 20 0 BDADMP CC[C@@H]([NH2+]CCc1ccoc1)[C@@H]1CCC[NH2+]1 ZINC000665263381 412205967 /nfs/dbraw/zinc/20/59/67/412205967.db2.gz LNHSBWJGUOZRGB-OLZOCXBDSA-N 2 1 222.332 1.942 20 0 BDADMP CC[C@H]([NH2+]C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000662537401 412208325 /nfs/dbraw/zinc/20/83/25/412208325.db2.gz HNZIUTCBUHBOCV-JTQLQIEISA-N 2 1 236.319 1.084 20 0 BDADMP COC1CC(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000665230003 412168401 /nfs/dbraw/zinc/16/84/01/412168401.db2.gz HJBITECZGZVKJC-IKWCTNDRSA-N 2 1 226.364 1.389 20 0 BDADMP CC[C@@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CCC[NH2+]1 ZINC000665232111 412170627 /nfs/dbraw/zinc/17/06/27/412170627.db2.gz GDNSJBOHEFYJFT-KGLIPLIRSA-N 2 1 233.359 1.889 20 0 BDADMP Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000665233328 412172601 /nfs/dbraw/zinc/17/26/01/412172601.db2.gz DYIXRFMQGHXLDD-GJZGRUSLSA-N 2 1 245.370 1.985 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665274140 412216969 /nfs/dbraw/zinc/21/69/69/412216969.db2.gz KPBKTTHBRUULMV-IHRRRGAJSA-N 2 1 239.407 1.720 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665274140 412216972 /nfs/dbraw/zinc/21/69/72/412216972.db2.gz KPBKTTHBRUULMV-IHRRRGAJSA-N 2 1 239.407 1.720 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000665274382 412217509 /nfs/dbraw/zinc/21/75/09/412217509.db2.gz PAEQJILZUDEYCT-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000665280883 412226453 /nfs/dbraw/zinc/22/64/53/412226453.db2.gz OAGJLXHBQIGJQP-MELADBBJSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000665280883 412226456 /nfs/dbraw/zinc/22/64/56/412226456.db2.gz OAGJLXHBQIGJQP-MELADBBJSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000665280883 412226457 /nfs/dbraw/zinc/22/64/57/412226457.db2.gz OAGJLXHBQIGJQP-MELADBBJSA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662608865 412240065 /nfs/dbraw/zinc/24/00/65/412240065.db2.gz QPCKYJDBKWOEMN-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000662621519 412244537 /nfs/dbraw/zinc/24/45/37/412244537.db2.gz ITYKAYVIDMXABB-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000662965002 412357345 /nfs/dbraw/zinc/35/73/45/412357345.db2.gz GRSXPGDWTOWANZ-YPMHNXCESA-N 2 1 249.358 1.013 20 0 BDADMP C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[N@H+]1C ZINC000132947206 412373740 /nfs/dbraw/zinc/37/37/40/412373740.db2.gz COXPFZLUEBXOID-QWRGUYRKSA-N 2 1 241.379 1.103 20 0 BDADMP CCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000307963328 172245071 /nfs/dbraw/zinc/24/50/71/172245071.db2.gz GTXBNPSPAZRBKY-LBPRGKRZSA-N 2 1 236.363 1.300 20 0 BDADMP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127756802 172396647 /nfs/dbraw/zinc/39/66/47/172396647.db2.gz ACADFWCLNGWPQD-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309657333 172493962 /nfs/dbraw/zinc/49/39/62/172493962.db2.gz QJPBXYWFVPNJAC-JHJVBQTASA-N 2 1 226.364 1.077 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(O)C1 ZINC000300332538 173008435 /nfs/dbraw/zinc/00/84/35/173008435.db2.gz MFJAAVYXFPUNKI-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](C)(O)C1 ZINC000300332538 173008438 /nfs/dbraw/zinc/00/84/38/173008438.db2.gz MFJAAVYXFPUNKI-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](C)(O)C1 ZINC000300332538 173008440 /nfs/dbraw/zinc/00/84/40/173008440.db2.gz MFJAAVYXFPUNKI-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC000370556869 173020641 /nfs/dbraw/zinc/02/06/41/173020641.db2.gz IPHJBOPIQYDSGB-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)C1CCC1 ZINC000336662438 173027006 /nfs/dbraw/zinc/02/70/06/173027006.db2.gz MRHPAYBFBMLQHS-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)C1CCC1 ZINC000336662438 173027007 /nfs/dbraw/zinc/02/70/07/173027007.db2.gz MRHPAYBFBMLQHS-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)C1CCC1 ZINC000336662438 173027010 /nfs/dbraw/zinc/02/70/10/173027010.db2.gz MRHPAYBFBMLQHS-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000368463268 173027613 /nfs/dbraw/zinc/02/76/13/173027613.db2.gz UAYBWNTVYIGULL-RDBSUJKOSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000336704724 173040537 /nfs/dbraw/zinc/04/05/37/173040537.db2.gz NNYGKVNGOCOASV-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C[C@@H]1CCCOC1)C[C@H]1CCC[N@H+](C)C1 ZINC000336704724 173040539 /nfs/dbraw/zinc/04/05/39/173040539.db2.gz NNYGKVNGOCOASV-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C[C@@H]1CCCOC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336704724 173040540 /nfs/dbraw/zinc/04/05/40/173040540.db2.gz NNYGKVNGOCOASV-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000052048217 173041536 /nfs/dbraw/zinc/04/15/36/173041536.db2.gz BHLSGESONPHCJI-GFCCVEGCSA-N 2 1 246.358 1.965 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000044535255 173042677 /nfs/dbraw/zinc/04/26/77/173042677.db2.gz HMMTZGYPJXYZQA-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000044535255 173042678 /nfs/dbraw/zinc/04/26/78/173042678.db2.gz HMMTZGYPJXYZQA-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000336701015 173042689 /nfs/dbraw/zinc/04/26/89/173042689.db2.gz LUDDRDUIVWCKKK-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@@H]1CCOC1)C[C@H]1CCC[N@H+](C)C1 ZINC000336701015 173042691 /nfs/dbraw/zinc/04/26/91/173042691.db2.gz LUDDRDUIVWCKKK-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@@H]1CCOC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336701015 173042693 /nfs/dbraw/zinc/04/26/93/173042693.db2.gz LUDDRDUIVWCKKK-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCOC(C)(C)C1 ZINC000372424975 173052004 /nfs/dbraw/zinc/05/20/04/173052004.db2.gz IYQMSQOPQSNNLB-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCOC(C)(C)C1 ZINC000372424975 173052006 /nfs/dbraw/zinc/05/20/06/173052006.db2.gz IYQMSQOPQSNNLB-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCOC(C)(C)C1 ZINC000372424975 173052009 /nfs/dbraw/zinc/05/20/09/173052009.db2.gz IYQMSQOPQSNNLB-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CO)C1CCCC1 ZINC000352708736 173052912 /nfs/dbraw/zinc/05/29/12/173052912.db2.gz XMQJFLYWTSQJGR-UONOGXRCSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](n2cncn2)C1 ZINC000364536333 173053459 /nfs/dbraw/zinc/05/34/59/173053459.db2.gz ZPEGWJDLKMHYIS-STQMWFEESA-N 2 1 249.362 1.009 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](n2cncn2)C1 ZINC000364536333 173053461 /nfs/dbraw/zinc/05/34/61/173053461.db2.gz ZPEGWJDLKMHYIS-STQMWFEESA-N 2 1 249.362 1.009 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364536333 173053466 /nfs/dbraw/zinc/05/34/66/173053466.db2.gz ZPEGWJDLKMHYIS-STQMWFEESA-N 2 1 249.362 1.009 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364536333 173053467 /nfs/dbraw/zinc/05/34/67/173053467.db2.gz ZPEGWJDLKMHYIS-STQMWFEESA-N 2 1 249.362 1.009 20 0 BDADMP C[N@H+]1CCC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000336669730 173055517 /nfs/dbraw/zinc/05/55/17/173055517.db2.gz AQGWELMVNUXOEU-AWEZNQCLSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(C)COC3)CC[C@@H]21 ZINC000336689570 173058325 /nfs/dbraw/zinc/05/83/25/173058325.db2.gz HSZZJYRTKZKMMF-STQMWFEESA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(C)COC3)CC[C@@H]21 ZINC000336689570 173058326 /nfs/dbraw/zinc/05/83/26/173058326.db2.gz HSZZJYRTKZKMMF-STQMWFEESA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(C)COC3)CC[C@@H]21 ZINC000336689570 173058327 /nfs/dbraw/zinc/05/83/27/173058327.db2.gz HSZZJYRTKZKMMF-STQMWFEESA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCC2CCCCC2)C1 ZINC000361594263 173137989 /nfs/dbraw/zinc/13/79/89/173137989.db2.gz MLXARIHXPDWFLM-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCC2CCCCC2)C1 ZINC000361594263 173137991 /nfs/dbraw/zinc/13/79/91/173137991.db2.gz MLXARIHXPDWFLM-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C/C=C\c2ccccc2)C1 ZINC000358170485 173139609 /nfs/dbraw/zinc/13/96/09/173139609.db2.gz RIUHHFWKWDAMRZ-GTBONMDNSA-N 2 1 246.354 1.356 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C/C=C\c2ccccc2)C1 ZINC000358170485 173139612 /nfs/dbraw/zinc/13/96/12/173139612.db2.gz RIUHHFWKWDAMRZ-GTBONMDNSA-N 2 1 246.354 1.356 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037894288 173146400 /nfs/dbraw/zinc/14/64/00/173146400.db2.gz OUCMJTULPQWRHZ-GFCCVEGCSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@H]2CCC[C@H]21 ZINC000368607978 173151801 /nfs/dbraw/zinc/15/18/01/173151801.db2.gz KCBWPPZTLSNUEG-HZSPNIEDSA-N 2 1 248.374 1.346 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@H]2CCC[C@H]21 ZINC000309485088 173151839 /nfs/dbraw/zinc/15/18/39/173151839.db2.gz VDIYMHOJTQHRFZ-GRYCIOLGSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCF)[C@@H]2CCC[C@H]21 ZINC000306939465 173152696 /nfs/dbraw/zinc/15/26/96/173152696.db2.gz KMAWFFWXGOEKAX-GARJFASQSA-N 2 1 200.301 1.418 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@@H]2CCC[C@H]21 ZINC000353391233 173153471 /nfs/dbraw/zinc/15/34/71/173153471.db2.gz BILIBESGWFOOQJ-MELADBBJSA-N 2 1 248.374 1.346 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCCCF)C[C@@H]2C1 ZINC000367525237 173197217 /nfs/dbraw/zinc/19/72/17/173197217.db2.gz RZKNEMCYOYGNNS-PHIMTYICSA-N 2 1 200.301 1.230 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCF)C[C@@H]2C1 ZINC000367525237 173197219 /nfs/dbraw/zinc/19/72/19/173197219.db2.gz RZKNEMCYOYGNNS-PHIMTYICSA-N 2 1 200.301 1.230 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCCF)C[C@@H]2C1 ZINC000367525237 173197221 /nfs/dbraw/zinc/19/72/21/173197221.db2.gz RZKNEMCYOYGNNS-PHIMTYICSA-N 2 1 200.301 1.230 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000124787429 173346321 /nfs/dbraw/zinc/34/63/21/173346321.db2.gz GJVBMDQRFRUODK-UHFFFAOYSA-N 2 1 234.343 1.663 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000124787429 173346323 /nfs/dbraw/zinc/34/63/23/173346323.db2.gz GJVBMDQRFRUODK-UHFFFAOYSA-N 2 1 234.343 1.663 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000070798604 173370633 /nfs/dbraw/zinc/37/06/33/173370633.db2.gz FLBUBILKTKEUIG-NSHDSACASA-N 2 1 223.320 1.333 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000070798604 173370634 /nfs/dbraw/zinc/37/06/34/173370634.db2.gz FLBUBILKTKEUIG-NSHDSACASA-N 2 1 223.320 1.333 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000011891945 173370696 /nfs/dbraw/zinc/37/06/96/173370696.db2.gz QXJKOZUMXHZEPF-LBPRGKRZSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC000011891945 173370697 /nfs/dbraw/zinc/37/06/97/173370697.db2.gz QXJKOZUMXHZEPF-LBPRGKRZSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359224019 173378723 /nfs/dbraw/zinc/37/87/23/173378723.db2.gz SOFIINONFGLXLC-CQSZACIVSA-N 2 1 239.407 1.308 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000011888927 173379386 /nfs/dbraw/zinc/37/93/86/173379386.db2.gz CIZOJMWQOFFNMQ-CQSZACIVSA-N 2 1 248.370 1.997 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000011888927 173379388 /nfs/dbraw/zinc/37/93/88/173379388.db2.gz CIZOJMWQOFFNMQ-CQSZACIVSA-N 2 1 248.370 1.997 20 0 BDADMP COC1CC([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000336773596 174017857 /nfs/dbraw/zinc/01/78/57/174017857.db2.gz YUHAFFGLIVQKEX-UHFFFAOYSA-N 2 1 210.321 1.015 20 0 BDADMP COC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000342214066 174028658 /nfs/dbraw/zinc/02/86/58/174028658.db2.gz YGDGSBOZDFBYAD-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP COC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336698138 174029088 /nfs/dbraw/zinc/02/90/88/174029088.db2.gz IDICIBXXUJMOIX-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP COCC1(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CCC1 ZINC000361294226 174099420 /nfs/dbraw/zinc/09/94/20/174099420.db2.gz DCEZCZGZEZRTDS-CYBMUJFWSA-N 2 1 240.391 1.687 20 0 BDADMP COCC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000069633126 174118328 /nfs/dbraw/zinc/11/83/28/174118328.db2.gz NYVGSUFRJDBEHA-UHFFFAOYSA-N 2 1 200.326 1.082 20 0 BDADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000355033980 174143981 /nfs/dbraw/zinc/14/39/81/174143981.db2.gz FRWLXDUEGKHVHW-OLZOCXBDSA-N 2 1 242.407 1.979 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342080673 174179295 /nfs/dbraw/zinc/17/92/95/174179295.db2.gz GVIMLHGYJCDIPD-IHRRRGAJSA-N 2 1 240.391 1.862 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377387929 174189418 /nfs/dbraw/zinc/18/94/18/174189418.db2.gz CEGLWWKBMAFZQT-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358179073 174363603 /nfs/dbraw/zinc/36/36/03/174363603.db2.gz QXDDADCXFCIXKM-RWMBFGLXSA-N 2 1 244.379 1.110 20 0 BDADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358179073 174363605 /nfs/dbraw/zinc/36/36/05/174363605.db2.gz QXDDADCXFCIXKM-RWMBFGLXSA-N 2 1 244.379 1.110 20 0 BDADMP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000337376812 174397385 /nfs/dbraw/zinc/39/73/85/174397385.db2.gz AYBNCHMIRKFRME-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@@](C)(C[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000336682835 174789610 /nfs/dbraw/zinc/78/96/10/174789610.db2.gz YRWJMWPZCUDVCA-ZDUSSCGKSA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000093232457 175095343 /nfs/dbraw/zinc/09/53/43/175095343.db2.gz RKZMKTBOLZVIIS-UHFFFAOYSA-N 2 1 238.331 1.102 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994661 175259523 /nfs/dbraw/zinc/25/95/23/175259523.db2.gz FOKRVXILERDVEL-OAHLLOKOSA-N 2 1 246.354 1.881 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994661 175259524 /nfs/dbraw/zinc/25/95/24/175259524.db2.gz FOKRVXILERDVEL-OAHLLOKOSA-N 2 1 246.354 1.881 20 0 BDADMP COc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049708106 175328240 /nfs/dbraw/zinc/32/82/40/175328240.db2.gz SLGGHJRVLNHHOF-YPMHNXCESA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049708106 175328241 /nfs/dbraw/zinc/32/82/41/175328241.db2.gz SLGGHJRVLNHHOF-YPMHNXCESA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H](CSCC[NH+]1CCOCC1)[NH+](C)C ZINC000358865649 175764589 /nfs/dbraw/zinc/76/45/89/175764589.db2.gz NMABSBYGHBLDGP-NSHDSACASA-N 2 1 232.393 1.002 20 0 BDADMP C[C@@H](c1ccccc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313383720 176021295 /nfs/dbraw/zinc/02/12/95/176021295.db2.gz JKRVEHOBUXUYHI-GXTWGEPZSA-N 2 1 234.343 1.797 20 0 BDADMP C[C@@H](c1cnccn1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000184572617 176035742 /nfs/dbraw/zinc/03/57/42/176035742.db2.gz CQOAKSXANGLKBT-QWHCGFSZSA-N 2 1 248.374 1.811 20 0 BDADMP C[C@@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310122258 176063526 /nfs/dbraw/zinc/06/35/26/176063526.db2.gz VJUKJHPTKKWVCT-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310122258 176063528 /nfs/dbraw/zinc/06/35/28/176063528.db2.gz VJUKJHPTKKWVCT-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310122258 176063531 /nfs/dbraw/zinc/06/35/31/176063531.db2.gz VJUKJHPTKKWVCT-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310122258 176063533 /nfs/dbraw/zinc/06/35/33/176063533.db2.gz VJUKJHPTKKWVCT-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCOC1 ZINC000070963728 176070334 /nfs/dbraw/zinc/07/03/34/176070334.db2.gz ZWLAAUDIYCDONZ-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000037886728 176123667 /nfs/dbraw/zinc/12/36/67/176123667.db2.gz JDCXRYZXFFMYSI-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000328157914 176153116 /nfs/dbraw/zinc/15/31/16/176153116.db2.gz HGALIYHYRKALJA-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)O1 ZINC000370722862 176204241 /nfs/dbraw/zinc/20/42/41/176204241.db2.gz UNWDUZXSTGOVJL-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000128241569 176268426 /nfs/dbraw/zinc/26/84/26/176268426.db2.gz YAPSHFDAYZPXIJ-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000128241569 176268428 /nfs/dbraw/zinc/26/84/28/176268428.db2.gz YAPSHFDAYZPXIJ-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000128241569 176268430 /nfs/dbraw/zinc/26/84/30/176268430.db2.gz YAPSHFDAYZPXIJ-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000309806509 176268795 /nfs/dbraw/zinc/26/87/95/176268795.db2.gz SGPUECNGKOBGKM-ZJUUUORDSA-N 2 1 236.306 1.546 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000361525999 176268906 /nfs/dbraw/zinc/26/89/06/176268906.db2.gz OTHKSSYUBNBKJQ-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000357839232 176268979 /nfs/dbraw/zinc/26/89/79/176268979.db2.gz HUKKCHGERCXPMP-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000340521007 176269252 /nfs/dbraw/zinc/26/92/52/176269252.db2.gz ARVHBDMTCHVDJX-WYUUTHIRSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000340521007 176269254 /nfs/dbraw/zinc/26/92/54/176269254.db2.gz ARVHBDMTCHVDJX-WYUUTHIRSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000335606861 176270060 /nfs/dbraw/zinc/27/00/60/176270060.db2.gz YWAQYMGCMNPTKH-YPMHNXCESA-N 2 1 224.348 1.263 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1O ZINC000358220659 176270876 /nfs/dbraw/zinc/27/08/76/176270876.db2.gz KLMXMCYBADNWOO-TZMCWYRMSA-N 2 1 248.370 1.865 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000300418756 176278362 /nfs/dbraw/zinc/27/83/62/176278362.db2.gz BLFYUDLSDHGJGO-SYQHCUMBSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000300418755 176278365 /nfs/dbraw/zinc/27/83/65/176278365.db2.gz BLFYUDLSDHGJGO-MQYQWHSLSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918621 176292279 /nfs/dbraw/zinc/29/22/79/176292279.db2.gz OYGYTWWCMINTHW-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000336674719 176299076 /nfs/dbraw/zinc/29/90/76/176299076.db2.gz BYISUMQCFZSCAH-YRGRVCCFSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000336674719 176299079 /nfs/dbraw/zinc/29/90/79/176299079.db2.gz BYISUMQCFZSCAH-YRGRVCCFSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000336674719 176299080 /nfs/dbraw/zinc/29/90/80/176299080.db2.gz BYISUMQCFZSCAH-YRGRVCCFSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000336674719 176299082 /nfs/dbraw/zinc/29/90/82/176299082.db2.gz BYISUMQCFZSCAH-YRGRVCCFSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC[C@@H]1[NH3+] ZINC000336537750 176304382 /nfs/dbraw/zinc/30/43/82/176304382.db2.gz IEBAYBHRRZGWPX-MFKMUULPSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CC[C@@H]1[NH3+] ZINC000336537843 176305676 /nfs/dbraw/zinc/30/56/76/176305676.db2.gz QBRLYTHPSHBMBV-MFKMUULPSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1COCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000360603961 176333440 /nfs/dbraw/zinc/33/34/40/176333440.db2.gz HBNJSPHEDGWBGF-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP C[C@@H]1COCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000360603961 176333441 /nfs/dbraw/zinc/33/34/41/176333441.db2.gz HBNJSPHEDGWBGF-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000309733767 176344054 /nfs/dbraw/zinc/34/40/54/176344054.db2.gz BUVIQXSGDQZPHM-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000336773824 176353624 /nfs/dbraw/zinc/35/36/24/176353624.db2.gz ZFRSRHNHIQRAAK-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304370213 176354534 /nfs/dbraw/zinc/35/45/34/176354534.db2.gz FVGHEBHJPFAQHY-XQHKEYJVSA-N 2 1 240.416 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)CCN1C ZINC000336724054 176371928 /nfs/dbraw/zinc/37/19/28/176371928.db2.gz ZCFBERSSHCRDSF-FRRDWIJNSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C(C)(C)C)CC[N@@H+]1C ZINC000336724054 176371931 /nfs/dbraw/zinc/37/19/31/176371931.db2.gz ZCFBERSSHCRDSF-FRRDWIJNSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C(C)(C)C)CC[N@H+]1C ZINC000336724054 176371934 /nfs/dbraw/zinc/37/19/34/176371934.db2.gz ZCFBERSSHCRDSF-FRRDWIJNSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C(C)(C)C)CC[NH+]1C ZINC000336724054 176371935 /nfs/dbraw/zinc/37/19/35/176371935.db2.gz ZCFBERSSHCRDSF-FRRDWIJNSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)CC[NH+]1C ZINC000336724054 176371937 /nfs/dbraw/zinc/37/19/37/176371937.db2.gz ZCFBERSSHCRDSF-FRRDWIJNSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCC2)CC[N@H+]1C ZINC000358314109 176375797 /nfs/dbraw/zinc/37/57/97/176375797.db2.gz FAMIASFSXBLLBT-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccnn1C ZINC000235433823 176909999 /nfs/dbraw/zinc/90/99/99/176909999.db2.gz AHHGVUFFIALTGP-MNOVXSKESA-N 2 1 224.352 1.411 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccn1C ZINC000290645742 177234234 /nfs/dbraw/zinc/23/42/34/177234234.db2.gz YVTNWSSJLZHSDB-GXTWGEPZSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccn1C ZINC000290645742 177234235 /nfs/dbraw/zinc/23/42/35/177234235.db2.gz YVTNWSSJLZHSDB-GXTWGEPZSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccn1C ZINC000290645742 177234236 /nfs/dbraw/zinc/23/42/36/177234236.db2.gz YVTNWSSJLZHSDB-GXTWGEPZSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccn1C ZINC000290645742 177234237 /nfs/dbraw/zinc/23/42/37/177234237.db2.gz YVTNWSSJLZHSDB-GXTWGEPZSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000300415038 177238326 /nfs/dbraw/zinc/23/83/26/177238326.db2.gz RLKXJAFINOQZOV-ODXJTPSBSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000061919025 177245981 /nfs/dbraw/zinc/24/59/81/177245981.db2.gz REPRWEKBLNQSPZ-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049710157 177264173 /nfs/dbraw/zinc/26/41/73/177264173.db2.gz OZQSYSNGTLWOMC-GWCFXTLKSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049710157 177264174 /nfs/dbraw/zinc/26/41/74/177264174.db2.gz OZQSYSNGTLWOMC-GWCFXTLKSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC[NH3+] ZINC000023361637 177264896 /nfs/dbraw/zinc/26/48/96/177264896.db2.gz AXBRQZAHNADPAJ-ZDUSSCGKSA-N 2 1 233.359 1.151 20 0 BDADMP C[C@H]1CSCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251627799 177304697 /nfs/dbraw/zinc/30/46/97/177304697.db2.gz FHAXUIDBHUFNHA-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000235699333 177324425 /nfs/dbraw/zinc/32/44/25/177324425.db2.gz ANNDEBCMAWPCFP-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCC1 ZINC000336783269 177331695 /nfs/dbraw/zinc/33/16/95/177331695.db2.gz ZYHNOMRDLOTUFT-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2nccs2)CC[N@H+]1C ZINC000127840789 177332636 /nfs/dbraw/zinc/33/26/36/177332636.db2.gz IPLFDPLRWVTZTH-QWRGUYRKSA-N 2 1 239.388 1.758 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC000090721489 177334093 /nfs/dbraw/zinc/33/40/93/177334093.db2.gz ABBALKRZIRVNSV-AAEUAGOBSA-N 2 1 219.332 1.654 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)CC[N@H+]1C ZINC000090721489 177334095 /nfs/dbraw/zinc/33/40/95/177334095.db2.gz ABBALKRZIRVNSV-AAEUAGOBSA-N 2 1 219.332 1.654 20 0 BDADMP C[C@H]1C[C@H](N(C)Cc2ccnc(N)c2)CC[N@H+]1C ZINC000298811177 177364061 /nfs/dbraw/zinc/36/40/61/177364061.db2.gz AHCFGWWKDWSEOF-WCQYABFASA-N 2 1 248.374 1.578 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000300425472 177369104 /nfs/dbraw/zinc/36/91/04/177369104.db2.gz ZBTCGFHPWPIASL-PJIALRRASA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308999902 177380907 /nfs/dbraw/zinc/38/09/07/177380907.db2.gz RGADXXFYXDOZBO-QWRGUYRKSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000313339233 487640655 /nfs/dbraw/zinc/64/06/55/487640655.db2.gz BWIOLBFBDXUMMN-RYUDHWBXSA-N 2 1 228.380 1.718 20 0 BDADMP COC[C@]1(C)CC[N@@H+](CCn2ccnc2C)C1 ZINC000487033609 225282281 /nfs/dbraw/zinc/28/22/81/225282281.db2.gz HLYZORCBYCZGJL-CYBMUJFWSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1cn[nH]c1CNCC[C@@H](C)[NH+](C)C ZINC000895292132 583637945 /nfs/dbraw/zinc/63/79/45/583637945.db2.gz FBCHBLXIKVREOI-SNVBAGLBSA-N 2 1 210.325 1.148 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C)N1CCCc1c[nH+]cn1C ZINC000314855896 487668257 /nfs/dbraw/zinc/66/82/57/487668257.db2.gz ITXZGHWWIBWQJP-TXEJJXNPSA-N 2 1 236.363 1.035 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000383738627 487669860 /nfs/dbraw/zinc/66/98/60/487669860.db2.gz HYZNATPGPKKLJU-GXFFZTMASA-N 2 1 236.363 1.070 20 0 BDADMP Cc1cccnc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000404950854 229239113 /nfs/dbraw/zinc/23/91/13/229239113.db2.gz QHGSBEMLFHPSDD-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000383926245 487682500 /nfs/dbraw/zinc/68/25/00/487682500.db2.gz DSRQGENTWMCAQP-MCIONIFRSA-N 2 1 242.407 1.950 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313349748 487685115 /nfs/dbraw/zinc/68/51/15/487685115.db2.gz IWNHWTCSBALAAY-YPMHNXCESA-N 2 1 235.331 1.192 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313349748 487685120 /nfs/dbraw/zinc/68/51/20/487685120.db2.gz IWNHWTCSBALAAY-YPMHNXCESA-N 2 1 235.331 1.192 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000250524436 487733938 /nfs/dbraw/zinc/73/39/38/487733938.db2.gz QMIRMCQQHAWJDK-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250493202 487734005 /nfs/dbraw/zinc/73/40/05/487734005.db2.gz IUBKRRVESYVQJA-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000672554914 487756212 /nfs/dbraw/zinc/75/62/12/487756212.db2.gz ABXGQNWNHGRPPL-WCQYABFASA-N 2 1 236.315 1.163 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C)C2)[C@H](C)C1 ZINC000675768005 487774591 /nfs/dbraw/zinc/77/45/91/487774591.db2.gz VHHBXONLGQJIOW-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000675768005 487774597 /nfs/dbraw/zinc/77/45/97/487774597.db2.gz VHHBXONLGQJIOW-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000675768005 487774602 /nfs/dbraw/zinc/77/46/02/487774602.db2.gz VHHBXONLGQJIOW-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000675768005 487774607 /nfs/dbraw/zinc/77/46/07/487774607.db2.gz VHHBXONLGQJIOW-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000675768005 487774611 /nfs/dbraw/zinc/77/46/11/487774611.db2.gz VHHBXONLGQJIOW-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C)C2)[C@H](C)C1 ZINC000675768001 487775076 /nfs/dbraw/zinc/77/50/76/487775076.db2.gz VHHBXONLGQJIOW-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000675768001 487775085 /nfs/dbraw/zinc/77/50/85/487775085.db2.gz VHHBXONLGQJIOW-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000675768001 487775090 /nfs/dbraw/zinc/77/50/90/487775090.db2.gz VHHBXONLGQJIOW-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000675768001 487775095 /nfs/dbraw/zinc/77/50/95/487775095.db2.gz VHHBXONLGQJIOW-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000675768001 487775098 /nfs/dbraw/zinc/77/50/98/487775098.db2.gz VHHBXONLGQJIOW-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@@H+](CCOCc1ccccc1)C1CC([NH3+])C1 ZINC000307254460 487777636 /nfs/dbraw/zinc/77/76/36/487777636.db2.gz XWXLDRNPVZLUSY-UHFFFAOYSA-N 2 1 234.343 1.625 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000251794169 487797810 /nfs/dbraw/zinc/79/78/10/487797810.db2.gz NSTXOXLRPYUPIW-GXTWGEPZSA-N 2 1 234.343 1.951 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ncc[nH]1 ZINC000414189210 487797945 /nfs/dbraw/zinc/79/79/45/487797945.db2.gz QQNIGMCLKKBXQO-NEPJUHHUSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251858537 487803301 /nfs/dbraw/zinc/80/33/01/487803301.db2.gz SFBFZVGBKOIOMW-NQBHXWOUSA-N 2 1 219.332 1.812 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000234362662 487808162 /nfs/dbraw/zinc/80/81/62/487808162.db2.gz KHCWSCDTZFKLDU-VXGBXAGGSA-N 2 1 206.333 1.988 20 0 BDADMP COCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C)C1 ZINC000414752513 487822159 /nfs/dbraw/zinc/82/21/59/487822159.db2.gz KXMDRLQLZPTDEV-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000224122263 487822778 /nfs/dbraw/zinc/82/27/78/487822778.db2.gz RAUPOLPJXUIJNN-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@H+]1C ZINC000224122263 487822782 /nfs/dbraw/zinc/82/27/82/487822782.db2.gz RAUPOLPJXUIJNN-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000252683604 487829338 /nfs/dbraw/zinc/82/93/38/487829338.db2.gz DYHAABCEJSMVPF-YIYPIFLZSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000252683604 487829345 /nfs/dbraw/zinc/82/93/45/487829345.db2.gz DYHAABCEJSMVPF-YIYPIFLZSA-N 2 1 240.391 1.861 20 0 BDADMP CCC(CC)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252684548 487829443 /nfs/dbraw/zinc/82/94/43/487829443.db2.gz GNXKKLAWUVXWDC-JQWIXIFHSA-N 2 1 214.353 1.471 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ncccc2C)CC[C@H]1[NH3+] ZINC000252779321 487832168 /nfs/dbraw/zinc/83/21/68/487832168.db2.gz PTVHWHHWDKVNTI-QWHCGFSZSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cncs2)CC[C@H]1[NH3+] ZINC000252787218 487833666 /nfs/dbraw/zinc/83/36/66/487833666.db2.gz WFGZCOWZZKZNOI-MWLCHTKSSA-N 2 1 225.361 1.702 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cncs2)CC[C@H]1[NH3+] ZINC000252787218 487833672 /nfs/dbraw/zinc/83/36/72/487833672.db2.gz WFGZCOWZZKZNOI-MWLCHTKSSA-N 2 1 225.361 1.702 20 0 BDADMP Cc1ccc2[nH]c(C[NH2+]CCC[NH3+])nc2c1 ZINC000415079109 487836092 /nfs/dbraw/zinc/83/60/92/487836092.db2.gz HOJYGSDYXWCZLY-UHFFFAOYSA-N 2 1 218.304 1.310 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@H](C)CO ZINC000252966305 487840711 /nfs/dbraw/zinc/84/07/11/487840711.db2.gz XLWMIQIIFHDQCX-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](CCOC(C)(C)C)CC1CC[NH2+]CC1 ZINC000164502787 487841316 /nfs/dbraw/zinc/84/13/16/487841316.db2.gz SXJSCYNUCQRJDM-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CCO)C2)CC[NH2+]1 ZINC000666638443 487849967 /nfs/dbraw/zinc/84/99/67/487849967.db2.gz OGUIOMYELKHVQV-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770901 487855441 /nfs/dbraw/zinc/85/54/41/487855441.db2.gz ZCCPGKNPHFHSCE-BPCQOVAHSA-N 3 1 225.380 1.236 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C(C)C ZINC000234708757 487861642 /nfs/dbraw/zinc/86/16/42/487861642.db2.gz ZKSCNSIKJWCAOZ-NWDGAFQWSA-N 2 1 214.353 1.389 20 0 BDADMP CSCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000373143780 487861399 /nfs/dbraw/zinc/86/13/99/487861399.db2.gz XVQOKZWYHHDGDV-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000373143780 487861403 /nfs/dbraw/zinc/86/14/03/487861403.db2.gz XVQOKZWYHHDGDV-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000373143780 487861407 /nfs/dbraw/zinc/86/14/07/487861407.db2.gz XVQOKZWYHHDGDV-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000373143780 487861409 /nfs/dbraw/zinc/86/14/09/487861409.db2.gz XVQOKZWYHHDGDV-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1CNCc1ccc(CO)cc1 ZINC000133022014 487868143 /nfs/dbraw/zinc/86/81/43/487868143.db2.gz WAZRSMRQOGAHBZ-OAHLLOKOSA-N 2 1 248.370 1.753 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNCc1ccc(CO)cc1 ZINC000133022014 487868152 /nfs/dbraw/zinc/86/81/52/487868152.db2.gz WAZRSMRQOGAHBZ-OAHLLOKOSA-N 2 1 248.370 1.753 20 0 BDADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769849 487875324 /nfs/dbraw/zinc/87/53/24/487875324.db2.gz FZNVVLUHNQAEPH-JSGCOSHPSA-N 2 1 240.391 1.923 20 0 BDADMP CCSCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129059965 487876132 /nfs/dbraw/zinc/87/61/32/487876132.db2.gz MLGUESVIURUJTG-MNOVXSKESA-N 2 1 216.394 1.812 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000666770361 487877478 /nfs/dbraw/zinc/87/74/78/487877478.db2.gz WECUXOKXTGYLNL-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770464 487877738 /nfs/dbraw/zinc/87/77/38/487877738.db2.gz BZRPFFVTCGMQGH-STQMWFEESA-N 2 1 228.380 1.923 20 0 BDADMP C[C@]1(C[NH2+]CC2(F)CC2)CCC[NH2+]C1 ZINC000666844140 487889391 /nfs/dbraw/zinc/88/93/91/487889391.db2.gz JYOLHUVGPHHVMI-JTQLQIEISA-N 2 1 200.301 1.468 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)CO1 ZINC000403799452 487889415 /nfs/dbraw/zinc/88/94/15/487889415.db2.gz DYKNGEOJCKJKGV-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](CC)CO1 ZINC000403806404 487891461 /nfs/dbraw/zinc/89/14/61/487891461.db2.gz LPHYOLWQBDUJBV-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccnn2CC)CC[C@@H]1[NH3+] ZINC000157093404 487904088 /nfs/dbraw/zinc/90/40/88/487904088.db2.gz PXUQDPHHRRMGBZ-AAEUAGOBSA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccnn2CC)CC[C@@H]1[NH3+] ZINC000157093404 487904090 /nfs/dbraw/zinc/90/40/90/487904090.db2.gz PXUQDPHHRRMGBZ-AAEUAGOBSA-N 2 1 236.363 1.462 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)=C(C)C1 ZINC000582554672 487916529 /nfs/dbraw/zinc/91/65/29/487916529.db2.gz TWPNYQJISGDYLZ-ZDUSSCGKSA-N 2 1 226.364 1.341 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)=C(C)C1 ZINC000582554672 487916532 /nfs/dbraw/zinc/91/65/32/487916532.db2.gz TWPNYQJISGDYLZ-ZDUSSCGKSA-N 2 1 226.364 1.341 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000582554672 487916537 /nfs/dbraw/zinc/91/65/37/487916537.db2.gz TWPNYQJISGDYLZ-ZDUSSCGKSA-N 2 1 226.364 1.341 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC(C)=C(C)C1 ZINC000582554672 487916543 /nfs/dbraw/zinc/91/65/43/487916543.db2.gz TWPNYQJISGDYLZ-ZDUSSCGKSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]1 ZINC000667048433 487932967 /nfs/dbraw/zinc/93/29/67/487932967.db2.gz WLHAJFHYIUSGBN-FQUUOJAGSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000235289759 487941044 /nfs/dbraw/zinc/94/10/44/487941044.db2.gz ZYMCLBYTRDGCGM-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP c1cnn(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000049326180 487946891 /nfs/dbraw/zinc/94/68/91/487946891.db2.gz HQBDXROEGDIWGG-KBPBESRZSA-N 2 1 248.374 1.347 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000682405023 487949341 /nfs/dbraw/zinc/94/93/41/487949341.db2.gz PPYCPCXVDQOEIN-ZDUSSCGKSA-N 2 1 234.343 1.776 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000682405023 487949343 /nfs/dbraw/zinc/94/93/43/487949343.db2.gz PPYCPCXVDQOEIN-ZDUSSCGKSA-N 2 1 234.343 1.776 20 0 BDADMP C[C@H]1C[C@@H](CO)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000561793728 323007090 /nfs/dbraw/zinc/00/70/90/323007090.db2.gz KADOROJGTGXWLV-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[C@@H](CO)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000561793728 323007091 /nfs/dbraw/zinc/00/70/91/323007091.db2.gz KADOROJGTGXWLV-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[C@@H](CO)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000561793728 323007092 /nfs/dbraw/zinc/00/70/92/323007092.db2.gz KADOROJGTGXWLV-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128485727 323007183 /nfs/dbraw/zinc/00/71/83/323007183.db2.gz JNJCGIABNAEIFR-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP C[C@H]1C[C@@H](NCc2ccccc2CO)CC[N@H+]1C ZINC000151774885 323026818 /nfs/dbraw/zinc/02/68/18/323026818.db2.gz QUPNLMQCCJDXSY-WFASDCNBSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1C ZINC000151774885 323026820 /nfs/dbraw/zinc/02/68/20/323026820.db2.gz QUPNLMQCCJDXSY-WFASDCNBSA-N 2 1 248.370 1.751 20 0 BDADMP CNC(=O)[C@@H](C)C[N@@H+](C)CCc1ccncc1C ZINC000569718498 323038900 /nfs/dbraw/zinc/03/89/00/323038900.db2.gz BAHWPOZDXYYCAS-LBPRGKRZSA-N 2 1 249.358 1.246 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000569918930 323044294 /nfs/dbraw/zinc/04/42/94/323044294.db2.gz XYKBYMSUOJITCW-JTQLQIEISA-N 2 1 210.325 1.070 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000569988856 323046725 /nfs/dbraw/zinc/04/67/25/323046725.db2.gz XEQAKTCJDFIHGE-HZSPNIEDSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000570409593 323058837 /nfs/dbraw/zinc/05/88/37/323058837.db2.gz BYRITCWYTHYDHS-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000390310879 323084223 /nfs/dbraw/zinc/08/42/23/323084223.db2.gz FWKQWDOFEUJTMM-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)COCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397301883 323090305 /nfs/dbraw/zinc/09/03/05/323090305.db2.gz KRWQRTRINBFFTJ-MJBXVCDLSA-N 2 1 242.407 1.964 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CO1 ZINC000563121835 323093687 /nfs/dbraw/zinc/09/36/87/323093687.db2.gz GYGBQMSGZBYPJX-PWSUYJOCSA-N 2 1 235.331 1.415 20 0 BDADMP CCc1cnc(C[NH+]2CCC(CC[NH3+])CC2)o1 ZINC000563275558 323107460 /nfs/dbraw/zinc/10/74/60/323107460.db2.gz NJLQMHFJWUNGGP-UHFFFAOYSA-N 2 1 237.347 1.798 20 0 BDADMP Cc1noc([C@H](C)[N@H+](C)CC[C@@H]2CC[NH2+]C2)n1 ZINC000563421848 323124128 /nfs/dbraw/zinc/12/41/28/323124128.db2.gz VIDIDTMGMJYSHG-ONGXEEELSA-N 2 1 238.335 1.370 20 0 BDADMP Cc1noc([C@H](C)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)n1 ZINC000563421848 323124129 /nfs/dbraw/zinc/12/41/29/323124129.db2.gz VIDIDTMGMJYSHG-ONGXEEELSA-N 2 1 238.335 1.370 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cnccn1 ZINC000401815370 323127417 /nfs/dbraw/zinc/12/74/17/323127417.db2.gz WYFGXRSBLZNMIO-SNVBAGLBSA-N 2 1 231.303 1.103 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2cncn2C)CC[N@H+]1C ZINC000401866383 323128284 /nfs/dbraw/zinc/12/82/84/323128284.db2.gz HSWOCCATVUJBJR-NWDGAFQWSA-N 3 1 236.363 1.035 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2cncn2C)CCN1C ZINC000401866383 323128285 /nfs/dbraw/zinc/12/82/85/323128285.db2.gz HSWOCCATVUJBJR-NWDGAFQWSA-N 3 1 236.363 1.035 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000571157213 323136996 /nfs/dbraw/zinc/13/69/96/323136996.db2.gz RZUMCJRALUQBNR-XQQFMLRXSA-N 3 1 225.380 1.236 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC000414668583 323151143 /nfs/dbraw/zinc/15/11/43/323151143.db2.gz JILMNXHNECIXPP-RKQHYHRCSA-N 3 1 237.391 1.044 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]CC1(F)CC1 ZINC000308489063 323174890 /nfs/dbraw/zinc/17/48/90/323174890.db2.gz AWZXTYICPACALC-UHFFFAOYSA-N 2 1 202.317 1.808 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]CC1(F)CC1 ZINC000308489063 323174891 /nfs/dbraw/zinc/17/48/91/323174891.db2.gz AWZXTYICPACALC-UHFFFAOYSA-N 2 1 202.317 1.808 20 0 BDADMP C[C@H](CC1CC1)[NH2+]CCc1c[nH+]cn1C ZINC000308838843 323179845 /nfs/dbraw/zinc/17/98/45/323179845.db2.gz JGOXSANCRAANCB-SNVBAGLBSA-N 2 1 207.321 1.741 20 0 BDADMP COC(C)(C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000535764273 323190705 /nfs/dbraw/zinc/19/07/05/323190705.db2.gz PRABPWFHAVGDKB-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP COC(C)(C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000535764273 323190706 /nfs/dbraw/zinc/19/07/06/323190706.db2.gz PRABPWFHAVGDKB-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP COC(C)(C)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000535764273 323190707 /nfs/dbraw/zinc/19/07/07/323190707.db2.gz PRABPWFHAVGDKB-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)C(C)C)[C@@H](C)[NH3+] ZINC000399377393 323205298 /nfs/dbraw/zinc/20/52/98/323205298.db2.gz BREXNHKAEMDZRS-VXGBXAGGSA-N 2 1 243.395 1.062 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000328460289 323251903 /nfs/dbraw/zinc/25/19/03/323251903.db2.gz GYGFEHSPBDWGQJ-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000571894801 323500595 /nfs/dbraw/zinc/50/05/95/323500595.db2.gz LFFJLDVPLQQIKE-NWDGAFQWSA-N 2 1 248.374 1.507 20 0 BDADMP FC(F)(F)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000083889811 487960704 /nfs/dbraw/zinc/96/07/04/487960704.db2.gz MGCYKHZMJXESMS-VIFPVBQESA-N 2 1 236.281 1.870 20 0 BDADMP Fc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000529532365 324327052 /nfs/dbraw/zinc/32/70/52/324327052.db2.gz ITWCWRQJDLJKNX-NSHDSACASA-N 2 1 249.333 1.795 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076000757 325325678 /nfs/dbraw/zinc/32/56/78/325325678.db2.gz PZJICEQLUCNXIF-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCn1ccnc1C[NH2+]CCCn1cc[nH+]c1C ZINC000548873972 325490537 /nfs/dbraw/zinc/49/05/37/325490537.db2.gz DZAVKNADDOZXKD-UHFFFAOYSA-N 2 1 247.346 1.588 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566480977 326055603 /nfs/dbraw/zinc/05/56/03/326055603.db2.gz CXZWEHAVMWVGAI-XQQFMLRXSA-N 2 1 227.396 1.575 20 0 BDADMP CC[C@H](O)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000567345704 326169138 /nfs/dbraw/zinc/16/91/38/326169138.db2.gz QSLRIZPQJDKLDW-JQWIXIFHSA-N 2 1 225.336 1.188 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000155750180 326210769 /nfs/dbraw/zinc/21/07/69/326210769.db2.gz RZQWFTWAZCDXSE-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H]1OCC[C@]1(C)[NH2+]CCCc1c[nH+]cn1C ZINC000314172700 326294173 /nfs/dbraw/zinc/29/41/73/326294173.db2.gz OYWRIYCOPPNJTK-YPMHNXCESA-N 2 1 237.347 1.510 20 0 BDADMP COC[C@@H](C)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000568473304 326358407 /nfs/dbraw/zinc/35/84/07/326358407.db2.gz VLDQOKNZKGINMO-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP COC[C@@H](C)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000568473304 326358409 /nfs/dbraw/zinc/35/84/09/326358409.db2.gz VLDQOKNZKGINMO-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(C)C)C1 ZINC000568649545 326369275 /nfs/dbraw/zinc/36/92/75/326369275.db2.gz MPBIDPHNJBGXRA-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568632359 326369245 /nfs/dbraw/zinc/36/92/45/326369245.db2.gz OPFIBDBGEPERHA-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(C)C)C1 ZINC000568649546 326369312 /nfs/dbraw/zinc/36/93/12/326369312.db2.gz MPBIDPHNJBGXRA-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000568649546 326369313 /nfs/dbraw/zinc/36/93/13/326369313.db2.gz MPBIDPHNJBGXRA-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC000568649546 326369314 /nfs/dbraw/zinc/36/93/14/326369314.db2.gz MPBIDPHNJBGXRA-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000569104359 326390185 /nfs/dbraw/zinc/39/01/85/326390185.db2.gz GVOQFDNJUBYAEB-CYBMUJFWSA-N 2 1 235.331 1.194 20 0 BDADMP Cc1cc(N[C@@H]2CC[NH2+][C@@H](C)C2)nc(C)[nH+]1 ZINC000235690613 488005631 /nfs/dbraw/zinc/00/56/31/488005631.db2.gz HTJMZZDVKOXORD-GZMMTYOYSA-N 2 1 220.320 1.646 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227534561 488011430 /nfs/dbraw/zinc/01/14/30/488011430.db2.gz VITXGOQHFNYKKG-ZWKOPEQDSA-N 2 1 220.316 1.756 20 0 BDADMP CC[C@H]1C[N@@H+](CCOC(C)C)CC[C@@H]1[NH3+] ZINC000147411360 488014239 /nfs/dbraw/zinc/01/42/39/488014239.db2.gz GEUNXQUJZSVHMC-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cnn(CC)c2)CC[C@@H]1[NH3+] ZINC000147502721 488031110 /nfs/dbraw/zinc/03/11/10/488031110.db2.gz GFUZPTHNLHNGFZ-STQMWFEESA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cnn(CC)c2)CC[C@@H]1[NH3+] ZINC000147502721 488031114 /nfs/dbraw/zinc/03/11/14/488031114.db2.gz GFUZPTHNLHNGFZ-STQMWFEESA-N 2 1 236.363 1.462 20 0 BDADMP Cc1ncc(C[N@H+](C[C@@H](C)O)C(C)C)n1C ZINC000667602958 488057447 /nfs/dbraw/zinc/05/74/47/488057447.db2.gz SYZFVEGYIZJAKU-SNVBAGLBSA-N 2 1 225.336 1.320 20 0 BDADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CC2)CC1 ZINC000221854309 488063052 /nfs/dbraw/zinc/06/30/52/488063052.db2.gz OTBGYJCOXWMEAQ-CYBMUJFWSA-N 2 1 224.348 1.382 20 0 BDADMP C[N@H+]1CCN(Cc2cnc3n2CCC3)C(C)(C)C1 ZINC000667644303 488068041 /nfs/dbraw/zinc/06/80/41/488068041.db2.gz DDMUEJLHQJOJBR-UHFFFAOYSA-N 2 1 248.374 1.355 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)CC1([NH3+])CCC1 ZINC000226407763 488085422 /nfs/dbraw/zinc/08/54/22/488085422.db2.gz RZRZADZRIWBJFN-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000402844342 488103708 /nfs/dbraw/zinc/10/37/08/488103708.db2.gz PYHIVCZISGXSMR-QWHCGFSZSA-N 2 1 248.374 1.400 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CC[N@H+]1C ZINC000227648883 488108518 /nfs/dbraw/zinc/10/85/18/488108518.db2.gz CHLZALHRWNTUIO-RJZJGCCBSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667763690 488111229 /nfs/dbraw/zinc/11/12/29/488111229.db2.gz GVCRIOJCNQKPAA-KBPBESRZSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001172754922 974929721 /nfs/dbraw/zinc/92/97/21/974929721.db2.gz ZRGOQLZIFNAPAN-JTQLQIEISA-N 2 1 228.336 1.188 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667822676 488128645 /nfs/dbraw/zinc/12/86/45/488128645.db2.gz QHHMDALPHQQFHJ-QWHCGFSZSA-N 2 1 235.331 1.349 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000310547557 488130759 /nfs/dbraw/zinc/13/07/59/488130759.db2.gz SVBSQOYFWIPSCF-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000310543762 488130804 /nfs/dbraw/zinc/13/08/04/488130804.db2.gz RTEHVZZWIHTIRL-RDBSUJKOSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000310543762 488130806 /nfs/dbraw/zinc/13/08/06/488130806.db2.gz RTEHVZZWIHTIRL-RDBSUJKOSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000310543762 488130808 /nfs/dbraw/zinc/13/08/08/488130808.db2.gz RTEHVZZWIHTIRL-RDBSUJKOSA-N 2 1 242.407 1.665 20 0 BDADMP CO[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)C1CCC1 ZINC000662238815 487471319 /nfs/dbraw/zinc/47/13/19/487471319.db2.gz XIYIKSZMKPADIW-ZDUSSCGKSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)O1 ZINC000227063513 487491541 /nfs/dbraw/zinc/49/15/41/487491541.db2.gz PYZBKLVKWMLOHC-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000380973045 487492199 /nfs/dbraw/zinc/49/21/99/487492199.db2.gz AWMRLGLWQRJVHH-ZDUSSCGKSA-N 2 1 230.396 1.808 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000380973045 487492200 /nfs/dbraw/zinc/49/22/00/487492200.db2.gz AWMRLGLWQRJVHH-ZDUSSCGKSA-N 2 1 230.396 1.808 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000380973045 487492202 /nfs/dbraw/zinc/49/22/02/487492202.db2.gz AWMRLGLWQRJVHH-ZDUSSCGKSA-N 2 1 230.396 1.808 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381019339 487493670 /nfs/dbraw/zinc/49/36/70/487493670.db2.gz ORGBYBGOOLWMJQ-ZFWWWQNUSA-N 2 1 245.370 1.951 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1(C)C ZINC000381061217 487494979 /nfs/dbraw/zinc/49/49/79/487494979.db2.gz LCTXCTDCWCEFLE-GFCCVEGCSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC1(C)C ZINC000381061217 487494988 /nfs/dbraw/zinc/49/49/88/487494988.db2.gz LCTXCTDCWCEFLE-GFCCVEGCSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC1(C)C ZINC000381061217 487494995 /nfs/dbraw/zinc/49/49/95/487494995.db2.gz LCTXCTDCWCEFLE-GFCCVEGCSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCC(C)(C)C ZINC000399690520 487495115 /nfs/dbraw/zinc/49/51/15/487495115.db2.gz VSMGSEVZGCZXJA-LBPRGKRZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCC(C)(C)C ZINC000399690520 487495121 /nfs/dbraw/zinc/49/51/21/487495121.db2.gz VSMGSEVZGCZXJA-LBPRGKRZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCC(C)(C)C ZINC000399690520 487495129 /nfs/dbraw/zinc/49/51/29/487495129.db2.gz VSMGSEVZGCZXJA-LBPRGKRZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCC(C)(C)C ZINC000399690520 487495133 /nfs/dbraw/zinc/49/51/33/487495133.db2.gz VSMGSEVZGCZXJA-LBPRGKRZSA-N 2 1 230.396 1.667 20 0 BDADMP FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266949 487505729 /nfs/dbraw/zinc/50/57/29/487505729.db2.gz QYPDPWQJLGPRME-QWRGUYRKSA-N 2 1 246.301 1.096 20 0 BDADMP FC1(F)C[C@@H]1OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266949 487505732 /nfs/dbraw/zinc/50/57/32/487505732.db2.gz QYPDPWQJLGPRME-QWRGUYRKSA-N 2 1 246.301 1.096 20 0 BDADMP C[C@@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000666126507 487510573 /nfs/dbraw/zinc/51/05/73/487510573.db2.gz PXJQDCVOOSWZCI-CYBMUJFWSA-N 2 1 248.370 1.405 20 0 BDADMP C[C@@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000666126507 487510576 /nfs/dbraw/zinc/51/05/76/487510576.db2.gz PXJQDCVOOSWZCI-CYBMUJFWSA-N 2 1 248.370 1.405 20 0 BDADMP COC(C)(C)C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000310246717 488148460 /nfs/dbraw/zinc/14/84/60/488148460.db2.gz JPSMRNIMNZCWQC-LBPRGKRZSA-N 2 1 246.395 1.044 20 0 BDADMP COC(C)(C)C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000310246717 488148463 /nfs/dbraw/zinc/14/84/63/488148463.db2.gz JPSMRNIMNZCWQC-LBPRGKRZSA-N 2 1 246.395 1.044 20 0 BDADMP COC(C)(C)C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000310246717 488148466 /nfs/dbraw/zinc/14/84/66/488148466.db2.gz JPSMRNIMNZCWQC-LBPRGKRZSA-N 2 1 246.395 1.044 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1cncn1C ZINC000314401035 487665392 /nfs/dbraw/zinc/66/53/92/487665392.db2.gz TWNBSKUCMBUXCO-RYUDHWBXSA-N 2 1 236.363 1.022 20 0 BDADMP COC(C)(C)C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000310246716 488148344 /nfs/dbraw/zinc/14/83/44/488148344.db2.gz JPSMRNIMNZCWQC-GFCCVEGCSA-N 2 1 246.395 1.044 20 0 BDADMP COC(C)(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000310246716 488148347 /nfs/dbraw/zinc/14/83/47/488148347.db2.gz JPSMRNIMNZCWQC-GFCCVEGCSA-N 2 1 246.395 1.044 20 0 BDADMP COC(C)(C)C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000310246716 488148351 /nfs/dbraw/zinc/14/83/51/488148351.db2.gz JPSMRNIMNZCWQC-GFCCVEGCSA-N 2 1 246.395 1.044 20 0 BDADMP COC(C)(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000310246716 488148357 /nfs/dbraw/zinc/14/83/57/488148357.db2.gz JPSMRNIMNZCWQC-GFCCVEGCSA-N 2 1 246.395 1.044 20 0 BDADMP COC(C)(C)C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000310246717 488148457 /nfs/dbraw/zinc/14/84/57/488148457.db2.gz JPSMRNIMNZCWQC-LBPRGKRZSA-N 2 1 246.395 1.044 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745771 488150648 /nfs/dbraw/zinc/15/06/48/488150648.db2.gz GEDBKNTXRHDDKM-AAEUAGOBSA-N 2 1 236.363 1.022 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667924287 488159063 /nfs/dbraw/zinc/15/90/63/488159063.db2.gz LAFYIWPMNOMJKP-ZIAGYGMSSA-N 2 1 236.359 1.405 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1 ZINC000060312862 488170896 /nfs/dbraw/zinc/17/08/96/488170896.db2.gz UMJCCKMIKBLHPL-UHFFFAOYSA-N 2 1 215.300 1.752 20 0 BDADMP CN(C)c1nc(N2CCCC[C@H]2CC[NH3+])cc[nH+]1 ZINC000085432211 488171453 /nfs/dbraw/zinc/17/14/53/488171453.db2.gz XLQVWOUGRZNYRS-NSHDSACASA-N 2 1 249.362 1.250 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000390672035 488173071 /nfs/dbraw/zinc/17/30/71/488173071.db2.gz VSSQQKZMEPAZKE-CYBMUJFWSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000390672035 488173074 /nfs/dbraw/zinc/17/30/74/488173074.db2.gz VSSQQKZMEPAZKE-CYBMUJFWSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000390672035 488173077 /nfs/dbraw/zinc/17/30/77/488173077.db2.gz VSSQQKZMEPAZKE-CYBMUJFWSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CC1 ZINC000380123657 488175345 /nfs/dbraw/zinc/17/53/45/488175345.db2.gz VEILTSPJCSGDAW-LBPRGKRZSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC1CC1 ZINC000380123657 488175348 /nfs/dbraw/zinc/17/53/48/488175348.db2.gz VEILTSPJCSGDAW-LBPRGKRZSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CC1 ZINC000380123657 488175350 /nfs/dbraw/zinc/17/53/50/488175350.db2.gz VEILTSPJCSGDAW-LBPRGKRZSA-N 2 1 214.353 1.029 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H](O)C(C)(C)C2)n1C ZINC000668031958 488190908 /nfs/dbraw/zinc/19/09/08/488190908.db2.gz NTYSUEBLHAKBBQ-LBPRGKRZSA-N 2 1 237.347 1.321 20 0 BDADMP Cc1ncc(CN2CC[C@H](O)C(C)(C)C2)n1C ZINC000668031958 488190911 /nfs/dbraw/zinc/19/09/11/488190911.db2.gz NTYSUEBLHAKBBQ-LBPRGKRZSA-N 2 1 237.347 1.321 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)n1C ZINC000668031957 488191135 /nfs/dbraw/zinc/19/11/35/488191135.db2.gz NTYSUEBLHAKBBQ-GFCCVEGCSA-N 2 1 237.347 1.321 20 0 BDADMP Cc1ncc(CN2CC[C@@H](O)C(C)(C)C2)n1C ZINC000668031957 488191140 /nfs/dbraw/zinc/19/11/40/488191140.db2.gz NTYSUEBLHAKBBQ-GFCCVEGCSA-N 2 1 237.347 1.321 20 0 BDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cn[nH]c2)C1 ZINC000678285538 488237151 /nfs/dbraw/zinc/23/71/51/488237151.db2.gz MCHJMNHVNZKGAR-CYBMUJFWSA-N 2 1 248.374 1.573 20 0 BDADMP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343385 488243402 /nfs/dbraw/zinc/24/34/02/488243402.db2.gz SNWZRFUMKOMUEL-WCVJEAGWSA-N 2 1 242.366 1.941 20 0 BDADMP c1nc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000678342781 488243546 /nfs/dbraw/zinc/24/35/46/488243546.db2.gz HUNSNBZNPQRKSE-TXEJJXNPSA-N 2 1 242.326 1.214 20 0 BDADMP c1nc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000678342781 488243549 /nfs/dbraw/zinc/24/35/49/488243549.db2.gz HUNSNBZNPQRKSE-TXEJJXNPSA-N 2 1 242.326 1.214 20 0 BDADMP c1nc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2[nH]1 ZINC000678342781 488243550 /nfs/dbraw/zinc/24/35/50/488243550.db2.gz HUNSNBZNPQRKSE-TXEJJXNPSA-N 2 1 242.326 1.214 20 0 BDADMP c1nc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2[nH]1 ZINC000678342781 488243552 /nfs/dbraw/zinc/24/35/52/488243552.db2.gz HUNSNBZNPQRKSE-TXEJJXNPSA-N 2 1 242.326 1.214 20 0 BDADMP c1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000684022757 488256395 /nfs/dbraw/zinc/25/63/95/488256395.db2.gz QYRCNGKNDVICIS-CHWSQXEVSA-N 2 1 241.338 1.819 20 0 BDADMP C[C@@H](CCN(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000049553830 488303638 /nfs/dbraw/zinc/30/36/38/488303638.db2.gz BRXAUJAPKFRAQY-STQMWFEESA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000665283032 490096167 /nfs/dbraw/zinc/09/61/67/490096167.db2.gz GLDNGFHPKLHVFB-GARJFASQSA-N 3 1 201.358 1.075 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000133533364 490194025 /nfs/dbraw/zinc/19/40/25/490194025.db2.gz WJSBJMMLUQHNHA-AGIUHOORSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC[NH3+] ZINC000414765699 490211823 /nfs/dbraw/zinc/21/18/23/490211823.db2.gz QEFKUFXDJWTPGN-HTQZYQBOSA-N 2 1 210.243 1.608 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396721982 490220545 /nfs/dbraw/zinc/22/05/45/490220545.db2.gz WNZVTHGMNSXTOY-GHMZBOCLSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300333674 490557070 /nfs/dbraw/zinc/55/70/70/490557070.db2.gz QNWZKBIBXOODHO-RHYQMDGZSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300333674 490557074 /nfs/dbraw/zinc/55/70/74/490557074.db2.gz QNWZKBIBXOODHO-RHYQMDGZSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)O1 ZINC000300351523 490557648 /nfs/dbraw/zinc/55/76/48/490557648.db2.gz BEKQYVJLHIGCSH-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP Cn1cncc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000401633307 490581638 /nfs/dbraw/zinc/58/16/38/490581638.db2.gz BEWQCXFPXYADHA-STQMWFEESA-N 2 1 248.374 1.179 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401893119 490588824 /nfs/dbraw/zinc/58/88/24/490588824.db2.gz YYTTZYMDOGDOJG-WCQYABFASA-N 2 1 237.347 1.510 20 0 BDADMP C[N@H+](Cc1ccc(O)cc1)C[C@H]1CC[NH+](C)C1 ZINC000131445744 490639248 /nfs/dbraw/zinc/63/92/48/490639248.db2.gz LWENVPRZQFWQFT-ZDUSSCGKSA-N 2 1 234.343 1.776 20 0 BDADMP C[NH+](Cc1ccc(O)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000131445744 490639251 /nfs/dbraw/zinc/63/92/51/490639251.db2.gz LWENVPRZQFWQFT-ZDUSSCGKSA-N 2 1 234.343 1.776 20 0 BDADMP C[NH+](Cc1ccc(O)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000131445744 490639254 /nfs/dbraw/zinc/63/92/54/490639254.db2.gz LWENVPRZQFWQFT-ZDUSSCGKSA-N 2 1 234.343 1.776 20 0 BDADMP CN(C)Cc1cc(C[NH2+]CCC[NH3+])ccc1F ZINC000415110201 491092572 /nfs/dbraw/zinc/09/25/72/491092572.db2.gz QJDRXLUIRJICSI-UHFFFAOYSA-N 2 1 239.338 1.326 20 0 BDADMP Cc1ncccc1C[N@@H+](C)[C@H]1CN2CCC1CC2 ZINC000639397703 491123634 /nfs/dbraw/zinc/12/36/34/491123634.db2.gz NTPLKXVGOHCCBK-HNNXBMFYSA-N 2 1 245.370 1.916 20 0 BDADMP Cc1ncccc1C[N@H+](C)[C@H]1CN2CCC1CC2 ZINC000639397703 491123635 /nfs/dbraw/zinc/12/36/35/491123635.db2.gz NTPLKXVGOHCCBK-HNNXBMFYSA-N 2 1 245.370 1.916 20 0 BDADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000310335522 491161079 /nfs/dbraw/zinc/16/10/79/491161079.db2.gz MRGSISYEFFRETH-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000083425632 491161644 /nfs/dbraw/zinc/16/16/44/491161644.db2.gz RPLXFCCWENYZML-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000400446948 533908933 /nfs/dbraw/zinc/90/89/33/533908933.db2.gz PUNQFUSZSLRREC-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000488318914 534017869 /nfs/dbraw/zinc/01/78/69/534017869.db2.gz BRQJTNINRNGEBP-AGIUHOORSA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000488318914 534017875 /nfs/dbraw/zinc/01/78/75/534017875.db2.gz BRQJTNINRNGEBP-AGIUHOORSA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000488318914 534017883 /nfs/dbraw/zinc/01/78/83/534017883.db2.gz BRQJTNINRNGEBP-AGIUHOORSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000070657830 536120939 /nfs/dbraw/zinc/12/09/39/536120939.db2.gz IRKVWCZGBHLILB-ODWCKFRGSA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)NC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041697 582839096 /nfs/dbraw/zinc/83/90/96/582839096.db2.gz VPHQUGSMNROAPE-LLVKDONJSA-N 2 1 226.368 1.241 20 0 BDADMP CC(C)CNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041645 582839344 /nfs/dbraw/zinc/83/93/44/582839344.db2.gz UMCYBJZIDLXCTB-LBPRGKRZSA-N 2 1 240.395 1.488 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000238851045 525728530 /nfs/dbraw/zinc/72/85/30/525728530.db2.gz DUQNWNUTORGVJR-NOOOWODRSA-N 2 1 214.353 1.076 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]2C)C1 ZINC000488355147 527819507 /nfs/dbraw/zinc/81/95/07/527819507.db2.gz RONBSJMKVOGAAF-AGIUHOORSA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488355147 527819512 /nfs/dbraw/zinc/81/95/12/527819512.db2.gz RONBSJMKVOGAAF-AGIUHOORSA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488355147 527819518 /nfs/dbraw/zinc/81/95/18/527819518.db2.gz RONBSJMKVOGAAF-AGIUHOORSA-N 2 1 210.365 1.916 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000305129668 527879512 /nfs/dbraw/zinc/87/95/12/527879512.db2.gz JLVMKBUFDMVSNY-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000400768822 528154065 /nfs/dbraw/zinc/15/40/65/528154065.db2.gz ZRPYUKRVAWMCPF-QJPTWQEYSA-N 2 1 214.353 1.532 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000475354289 528267724 /nfs/dbraw/zinc/26/77/24/528267724.db2.gz SMCQOMYAUNVBJX-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP CCCCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400556725 528611765 /nfs/dbraw/zinc/61/17/65/528611765.db2.gz ZITQUOATPPWHIB-NEPJUHHUSA-N 2 1 214.353 1.533 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494158925 529051373 /nfs/dbraw/zinc/05/13/73/529051373.db2.gz ARWFFTIULBWORB-ZDUSSCGKSA-N 2 1 242.407 1.981 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC[C@H](C)[NH3+] ZINC000252582921 535584524 /nfs/dbraw/zinc/58/45/24/535584524.db2.gz WNOFEWCRYPRBHQ-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223192003 535590362 /nfs/dbraw/zinc/59/03/62/535590362.db2.gz VOCCZUXRNFBRGP-IHRRRGAJSA-N 2 1 241.423 1.789 20 0 BDADMP CCOC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173891897 535650720 /nfs/dbraw/zinc/65/07/20/535650720.db2.gz WHBGWIDXMOTMQT-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173891897 535650724 /nfs/dbraw/zinc/65/07/24/535650724.db2.gz WHBGWIDXMOTMQT-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173891897 535650730 /nfs/dbraw/zinc/65/07/30/535650730.db2.gz WHBGWIDXMOTMQT-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173891897 535650732 /nfs/dbraw/zinc/65/07/32/535650732.db2.gz WHBGWIDXMOTMQT-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@@H](C)C1 ZINC000223404248 535768696 /nfs/dbraw/zinc/76/86/96/535768696.db2.gz LGAAQKHEHAOQOK-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([NH2+]C)C2)CCO1 ZINC000262034384 535896964 /nfs/dbraw/zinc/89/69/64/535896964.db2.gz OJONPJUBCVNPHR-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH2+]C)C2)CCO1 ZINC000262034384 535896967 /nfs/dbraw/zinc/89/69/67/535896967.db2.gz OJONPJUBCVNPHR-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000086874850 535955335 /nfs/dbraw/zinc/95/53/35/535955335.db2.gz UKHCWLQWQZGAKH-GHMZBOCLSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCF)C1 ZINC000351758796 535964745 /nfs/dbraw/zinc/96/47/45/535964745.db2.gz QVOVNZYKXQAZAS-LLVKDONJSA-N 2 1 202.317 1.620 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251134984 536091962 /nfs/dbraw/zinc/09/19/62/536091962.db2.gz ZCPWBDBCAZWYII-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP CCc1nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C)[nH+]1 ZINC000261579746 536125847 /nfs/dbraw/zinc/12/58/47/536125847.db2.gz PSKRJQZLANPHHO-NEPJUHHUSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000224315092 536344340 /nfs/dbraw/zinc/34/43/40/536344340.db2.gz ZRORNDWLQVPWTF-SNVBAGLBSA-N 2 1 214.378 1.423 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@@H](C(C)C)[NH+](C)C)n1 ZINC000261871482 536349880 /nfs/dbraw/zinc/34/98/80/536349880.db2.gz VGNJDCWJWHWQPA-GXSJLCMTSA-N 2 1 240.351 1.479 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCOC3)C2)C1 ZINC000335901306 536395525 /nfs/dbraw/zinc/39/55/25/536395525.db2.gz XEKNDRKJRCSNER-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000335901306 536395527 /nfs/dbraw/zinc/39/55/27/536395527.db2.gz XEKNDRKJRCSNER-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC000335901306 536395529 /nfs/dbraw/zinc/39/55/29/536395529.db2.gz XEKNDRKJRCSNER-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261776941 536412457 /nfs/dbraw/zinc/41/24/57/536412457.db2.gz OUCUSHHLQCLNCE-ZDUSSCGKSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261776941 536412460 /nfs/dbraw/zinc/41/24/60/536412460.db2.gz OUCUSHHLQCLNCE-ZDUSSCGKSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+]1CCN(C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000336053131 536414927 /nfs/dbraw/zinc/41/49/27/536414927.db2.gz ICLRDJOIZZEZSU-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCC1SCCS1 ZINC000853022694 588716338 /nfs/dbraw/zinc/71/63/38/588716338.db2.gz DKPITWJBKGQGMM-UHFFFAOYSA-N 2 1 234.434 1.724 20 0 BDADMP COC[C@@H](C)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757129099 582504442 /nfs/dbraw/zinc/50/44/42/582504442.db2.gz KSMJPFZQHSTENW-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757129099 582504443 /nfs/dbraw/zinc/50/44/43/582504443.db2.gz KSMJPFZQHSTENW-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP CCN1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000891993956 582756358 /nfs/dbraw/zinc/75/63/58/582756358.db2.gz XJCMVOAZVAMDIT-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+]1CCN(CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000891993956 582756362 /nfs/dbraw/zinc/75/63/62/582756362.db2.gz XJCMVOAZVAMDIT-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CCN(CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000891993956 582756363 /nfs/dbraw/zinc/75/63/63/582756363.db2.gz XJCMVOAZVAMDIT-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000892058683 582778986 /nfs/dbraw/zinc/77/89/86/582778986.db2.gz CPZNOLYYSAOYEN-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000892058683 582778988 /nfs/dbraw/zinc/77/89/88/582778988.db2.gz CPZNOLYYSAOYEN-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892069233 582784253 /nfs/dbraw/zinc/78/42/53/582784253.db2.gz GSEHTIRPNADZKN-GFCCVEGCSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCc3c[nH]nc3C2)CC1 ZINC000892091949 582789542 /nfs/dbraw/zinc/78/95/42/582789542.db2.gz PQHCTZGLIUYUGJ-UHFFFAOYSA-N 2 1 234.347 1.110 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892178914 582805738 /nfs/dbraw/zinc/80/57/38/582805738.db2.gz DWPAGIZOWFNKBS-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCC ZINC000848998843 582821317 /nfs/dbraw/zinc/82/13/17/582821317.db2.gz BQUOHRUJQMQHNX-LBPRGKRZSA-N 2 1 240.395 1.775 20 0 BDADMP CC(C)CCNC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000849016917 582827432 /nfs/dbraw/zinc/82/74/32/582827432.db2.gz RKWKQKKFZFNPDR-UHFFFAOYSA-N 2 1 238.379 1.408 20 0 BDADMP CCCCNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041748 582839332 /nfs/dbraw/zinc/83/93/32/582839332.db2.gz WKLSEDGEHYDIEN-LBPRGKRZSA-N 2 1 240.395 1.632 20 0 BDADMP CN1CC[N@@H+](CCCCCCC[NH3+])C(C)(C)C1 ZINC000857087545 588887147 /nfs/dbraw/zinc/88/71/47/588887147.db2.gz UFVKLMRAHLCQHC-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1c(C)ccnc1N ZINC000894211122 583375489 /nfs/dbraw/zinc/37/54/89/583375489.db2.gz LFBAVLGEWCQTLN-UHFFFAOYSA-N 2 1 245.330 1.267 20 0 BDADMP CO[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000894252921 583392994 /nfs/dbraw/zinc/39/29/94/583392994.db2.gz CSQMBZATLOXKPT-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000894454881 583464543 /nfs/dbraw/zinc/46/45/43/583464543.db2.gz BJCARHCSKMQFHI-AAEUAGOBSA-N 2 1 242.363 1.258 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000894456888 583464913 /nfs/dbraw/zinc/46/49/13/583464913.db2.gz RPLLMDKLBSQFHD-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]2C2CC2)CC1 ZINC000894690987 583509026 /nfs/dbraw/zinc/50/90/26/583509026.db2.gz WLQWZBYXPVHIEA-ZDUSSCGKSA-N 2 1 208.349 1.813 20 0 BDADMP Cc1ccnc(N)c1C[N@H+]1CC[C@@H](F)C1 ZINC000894873647 583540954 /nfs/dbraw/zinc/54/09/54/583540954.db2.gz JYPZQEHXSUMNJI-SECBINFHSA-N 2 1 209.268 1.516 20 0 BDADMP Cc1ccnc(N)c1CN(C)C[C@H]1CCC[N@H+]1C ZINC000895036696 583570406 /nfs/dbraw/zinc/57/04/06/583570406.db2.gz PDXDAAOYOKIGES-GFCCVEGCSA-N 2 1 248.374 1.498 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857852954 588913423 /nfs/dbraw/zinc/91/34/23/588913423.db2.gz HLJUYWIVZRTOMJ-ZDUSSCGKSA-N 2 1 248.374 1.719 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC ZINC000895128350 583600123 /nfs/dbraw/zinc/60/01/23/583600123.db2.gz XIQXXIUDIKMWCS-TUAOUCFPSA-N 2 1 242.363 1.258 20 0 BDADMP C[C@H](CC[NH2+]Cc1ccc2c[nH]nc2c1)[NH+](C)C ZINC000895298457 583640225 /nfs/dbraw/zinc/64/02/25/583640225.db2.gz WMHBTXORXHWUQN-LLVKDONJSA-N 2 1 246.358 1.993 20 0 BDADMP COc1ccc(C[N@@H+](C)CC2CN(C)C2)nc1 ZINC000895361980 583661004 /nfs/dbraw/zinc/66/10/04/583661004.db2.gz IGLWYYBRQUDTSQ-UHFFFAOYSA-N 2 1 235.331 1.084 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000895587294 583694466 /nfs/dbraw/zinc/69/44/66/583694466.db2.gz ODQXEUVDJAYESO-AAEUAGOBSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@@H]1[C@@H](NCc2cn(C)nc2C2CC2)CC[N@@H+]1C ZINC000896554530 583811936 /nfs/dbraw/zinc/81/19/36/583811936.db2.gz UTOZHNCVFWWLQG-MFKMUULPSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@@H]1[C@@H](NCc2cn(C)nc2C2CC2)CC[N@H+]1C ZINC000896554530 583811937 /nfs/dbraw/zinc/81/19/37/583811937.db2.gz UTOZHNCVFWWLQG-MFKMUULPSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000896577911 583814349 /nfs/dbraw/zinc/81/43/49/583814349.db2.gz DKBQPSPSBZBSKL-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C)C1CC(N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858185758 588937736 /nfs/dbraw/zinc/93/77/36/588937736.db2.gz YDABQVKHUMNRPK-HIFPTAJRSA-N 2 1 239.407 1.541 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858100144 588932970 /nfs/dbraw/zinc/93/29/70/588932970.db2.gz LEKKZRYXTPCJBY-LBPRGKRZSA-N 2 1 237.322 1.652 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858100144 588932972 /nfs/dbraw/zinc/93/29/72/588932972.db2.gz LEKKZRYXTPCJBY-LBPRGKRZSA-N 2 1 237.322 1.652 20 0 BDADMP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897818106 584050997 /nfs/dbraw/zinc/05/09/97/584050997.db2.gz FDOGGJZXWWICTD-RLWKQIJDSA-N 2 1 248.370 1.379 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CC2)[C@H](C)C1 ZINC000898202879 584089595 /nfs/dbraw/zinc/08/95/95/584089595.db2.gz DXZDVCZEMIXIGW-XBFCOCLRSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257307 584128193 /nfs/dbraw/zinc/12/81/93/584128193.db2.gz RXHCFJXCWMIEFN-HGNGGELXSA-N 2 1 208.309 1.106 20 0 BDADMP Cl/C=C/C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000898430177 584134512 /nfs/dbraw/zinc/13/45/12/584134512.db2.gz WEPIJGPZUXTOFT-FDQQOCSASA-N 2 1 244.766 1.582 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490082 588960392 /nfs/dbraw/zinc/96/03/92/588960392.db2.gz AXOUBGPBPJTZEJ-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000899266865 584190553 /nfs/dbraw/zinc/19/05/53/584190553.db2.gz IGBMNBSCYHTBRE-WDEREUQCSA-N 2 1 238.379 1.241 20 0 BDADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000900008746 584265022 /nfs/dbraw/zinc/26/50/22/584265022.db2.gz AFPTZHBNPLHVFD-IVZWLZJFSA-N 2 1 240.351 1.656 20 0 BDADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902407631 584574915 /nfs/dbraw/zinc/57/49/15/584574915.db2.gz SMUBWORLOPGQSO-DGCLKSJQSA-N 2 1 234.343 1.844 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392463 584582780 /nfs/dbraw/zinc/58/27/80/584582780.db2.gz HPKGIXFQFRDGQK-CYBMUJFWSA-N 3 1 241.423 1.742 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401760 584587509 /nfs/dbraw/zinc/58/75/09/584587509.db2.gz CXFACHGWTFXQPH-AGIUHOORSA-N 2 1 239.407 1.210 20 0 BDADMP NOCCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000902414994 584600155 /nfs/dbraw/zinc/60/01/55/584600155.db2.gz IVZYNBZPGLAOOU-KGLIPLIRSA-N 2 1 249.358 1.350 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)C1CC[NH+](C)CC1 ZINC000902473002 584601039 /nfs/dbraw/zinc/60/10/39/584601039.db2.gz NWSJJXBUOQXJRJ-RUZUBIRVSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC[NH+](C)CC1 ZINC000902473002 584601041 /nfs/dbraw/zinc/60/10/41/584601041.db2.gz NWSJJXBUOQXJRJ-RUZUBIRVSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000902475970 584602904 /nfs/dbraw/zinc/60/29/04/584602904.db2.gz KQBDHXUECULBAZ-MTVMDMGHSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000902475969 584602934 /nfs/dbraw/zinc/60/29/34/584602934.db2.gz KQBDHXUECULBAZ-LDMBFOFVSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902448555 584605792 /nfs/dbraw/zinc/60/57/92/584605792.db2.gz GNNAPCYBSNTHML-KGYLQXTDSA-N 2 1 237.391 1.057 20 0 BDADMP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000902453241 584607882 /nfs/dbraw/zinc/60/78/82/584607882.db2.gz OGEJXOOVUACVCZ-WZBKEBKWSA-N 2 1 248.370 1.427 20 0 BDADMP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000902453240 584608285 /nfs/dbraw/zinc/60/82/85/584608285.db2.gz OGEJXOOVUACVCZ-QUGYJXMDSA-N 2 1 248.370 1.427 20 0 BDADMP C[C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@H+]1C1CC1 ZINC000902465014 584613089 /nfs/dbraw/zinc/61/30/89/584613089.db2.gz FPECVYALCYHSLE-FFNLUWKOSA-N 2 1 235.375 1.094 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000902464256 584613240 /nfs/dbraw/zinc/61/32/40/584613240.db2.gz AWJMYYYNLJTCQN-MRTXSQPYSA-N 2 1 238.375 1.673 20 0 BDADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470461 584616825 /nfs/dbraw/zinc/61/68/25/584616825.db2.gz YAXMFKJTXJEFIA-LOWDOPEQSA-N 2 1 236.359 1.428 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482993 584624039 /nfs/dbraw/zinc/62/40/39/584624039.db2.gz ONEYNNYPFQHRFV-IJLUTSLNSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)[C@H]1CCCO1 ZINC000902482467 584623689 /nfs/dbraw/zinc/62/36/89/584623689.db2.gz LPHAMVIOGVLLRU-RWMBFGLXSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486948 584625759 /nfs/dbraw/zinc/62/57/59/584625759.db2.gz HYCHZFHYRJIMTJ-CYUUQNCZSA-N 3 1 247.386 1.272 20 0 BDADMP CC(C)(C)N1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902487213 584625841 /nfs/dbraw/zinc/62/58/41/584625841.db2.gz KOGGWVOTMCFUHY-AULYBMBSSA-N 2 1 239.407 1.576 20 0 BDADMP Cc1ncccc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000902514665 584629657 /nfs/dbraw/zinc/62/96/57/584629657.db2.gz UGTULVIVCKNHQQ-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902516292 584630124 /nfs/dbraw/zinc/63/01/24/584630124.db2.gz CQVGQRJNUMWMBY-ZBAXXZLZSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000902517108 584630269 /nfs/dbraw/zinc/63/02/69/584630269.db2.gz HDTJPVAZAXGNFE-ASEORRQLSA-N 2 1 238.375 1.532 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]1OC)C[NH+](C)C ZINC000903224271 584738124 /nfs/dbraw/zinc/73/81/24/584738124.db2.gz SYZCZXFLWXNKAY-FRRDWIJNSA-N 2 1 244.379 1.110 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@@H+]1C ZINC000903266144 584741007 /nfs/dbraw/zinc/74/10/07/584741007.db2.gz UDAZZPVCYSWMMR-CABNGKKXSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1C ZINC000903266144 584741008 /nfs/dbraw/zinc/74/10/08/584741008.db2.gz UDAZZPVCYSWMMR-CABNGKKXSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903393340 584756572 /nfs/dbraw/zinc/75/65/72/584756572.db2.gz LILZTPGDSSNKKL-GRYCIOLGSA-N 2 1 226.364 1.484 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430823 584761661 /nfs/dbraw/zinc/76/16/61/584761661.db2.gz CXKSJPHGKWQURH-UPJWGTAASA-N 2 1 226.364 1.200 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903422341 584764186 /nfs/dbraw/zinc/76/41/86/584764186.db2.gz YZNXESREWWWVGL-WISYIIOYSA-N 2 1 244.329 1.948 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903424982 584765263 /nfs/dbraw/zinc/76/52/63/584765263.db2.gz NUNHEMHERVZNAB-YFKTTZPYSA-N 2 1 244.329 1.962 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903424982 584765265 /nfs/dbraw/zinc/76/52/65/584765265.db2.gz NUNHEMHERVZNAB-YFKTTZPYSA-N 2 1 244.329 1.962 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000903442699 584768034 /nfs/dbraw/zinc/76/80/34/584768034.db2.gz ZAOJTTXALRSXCZ-AGIUHOORSA-N 2 1 248.374 1.445 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451707 584771827 /nfs/dbraw/zinc/77/18/27/584771827.db2.gz CPGIRDBITYMORD-AGIUHOORSA-N 3 1 225.380 1.317 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000903450459 584772228 /nfs/dbraw/zinc/77/22/28/584772228.db2.gz WIKXCGXXXUFBCJ-MROQNXINSA-N 3 1 225.380 1.173 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903454590 584773490 /nfs/dbraw/zinc/77/34/90/584773490.db2.gz DLXACHGKPMZAHA-RFGFWPKPSA-N 2 1 239.407 1.256 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454824 584773679 /nfs/dbraw/zinc/77/36/79/584773679.db2.gz KETUXBGZZKQRQW-FHUSYTEZSA-N 3 1 225.380 1.090 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2ncc[nH]2)C1 ZINC000903457044 584773881 /nfs/dbraw/zinc/77/38/81/584773881.db2.gz LEIPCGQUZDEVOI-TUAOUCFPSA-N 2 1 234.347 1.674 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOC1CC1 ZINC000903455315 584774195 /nfs/dbraw/zinc/77/41/95/584774195.db2.gz UBAILKBDAOPRHT-JFGNBEQYSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471304 584775546 /nfs/dbraw/zinc/77/55/46/584775546.db2.gz IIPNYVSWRLEXAV-VHSXEESVSA-N 2 1 200.301 1.609 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)O1 ZINC000903470832 584775606 /nfs/dbraw/zinc/77/56/06/584775606.db2.gz DUUHPKSPKDGAKB-GRYCIOLGSA-N 2 1 224.348 1.428 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCCO1 ZINC000903473108 584775861 /nfs/dbraw/zinc/77/58/61/584775861.db2.gz ZWNMRPDFWXRCOY-VXGBXAGGSA-N 2 1 224.348 1.430 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCO1 ZINC000903473106 584775971 /nfs/dbraw/zinc/77/59/71/584775971.db2.gz ZWNMRPDFWXRCOY-NWDGAFQWSA-N 2 1 224.348 1.430 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000903472335 584776278 /nfs/dbraw/zinc/77/62/78/584776278.db2.gz SDJQMWPNYZWVNM-RYUDHWBXSA-N 2 1 226.364 1.532 20 0 BDADMP c1cncc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903472402 584776326 /nfs/dbraw/zinc/77/63/26/584776326.db2.gz YJXOPPDUUWSTBQ-ZDUSSCGKSA-N 2 1 231.343 1.498 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903476474 584777379 /nfs/dbraw/zinc/77/73/79/584777379.db2.gz XVXBCHYKXDKOPO-WOPDTQHZSA-N 2 1 226.364 1.207 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000903481909 584778088 /nfs/dbraw/zinc/77/80/88/584778088.db2.gz QBCYSFAEBUYJEM-DGAVXFQQSA-N 2 1 238.375 1.615 20 0 BDADMP COCC1([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)CCC1 ZINC000903482494 584778698 /nfs/dbraw/zinc/77/86/98/584778698.db2.gz JJVGYLKJDNLLPU-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(C)nn1 ZINC000903482847 584779114 /nfs/dbraw/zinc/77/91/14/584779114.db2.gz VONUMFCXRNFJJI-RYUDHWBXSA-N 2 1 234.347 1.309 20 0 BDADMP CC1(C)C[N@H+](Cc2cccc(N)c2)C[C@@H]1N ZINC000903557861 584783188 /nfs/dbraw/zinc/78/31/88/584783188.db2.gz FLENLOLVYNUQJZ-LBPRGKRZSA-N 2 1 219.332 1.438 20 0 BDADMP CC1(C)C[N@@H+](Cc2cccc(N)c2)C[C@@H]1N ZINC000903557861 584783190 /nfs/dbraw/zinc/78/31/90/584783190.db2.gz FLENLOLVYNUQJZ-LBPRGKRZSA-N 2 1 219.332 1.438 20 0 BDADMP CC1(C)CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903730837 584792790 /nfs/dbraw/zinc/79/27/90/584792790.db2.gz ZXGZBPFEPUEUPH-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903727361 584793249 /nfs/dbraw/zinc/79/32/49/584793249.db2.gz SWBSTAGQSPXHFG-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP CC1([NH3+])CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903745365 584794312 /nfs/dbraw/zinc/79/43/12/584794312.db2.gz DZXCCFBAPTWEPO-LBPRGKRZSA-N 3 1 225.380 1.189 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903748826 584794730 /nfs/dbraw/zinc/79/47/30/584794730.db2.gz BCWUTYQMIGPOCZ-IFWUJCSASA-N 2 1 208.349 1.716 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903764493 584797646 /nfs/dbraw/zinc/79/76/46/584797646.db2.gz SQDUEWUIXQLMCK-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+](CC1=CCCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000903766121 584797652 /nfs/dbraw/zinc/79/76/52/584797652.db2.gz PCILUGOMEFVXEG-ZDUSSCGKSA-N 2 1 238.375 1.655 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000903761586 584797656 /nfs/dbraw/zinc/79/76/56/584797656.db2.gz WUKAGLPOAVZZBD-KPFVRQRISA-N 2 1 210.365 1.949 20 0 BDADMP C[N@H+]1CCN(C[C@@H]2CCCC[NH2+]C2)C(C)(C)C1 ZINC000903769597 584797805 /nfs/dbraw/zinc/79/78/05/584797805.db2.gz KAKQZYGHBJPVSE-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CC1CC(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000903780859 584799709 /nfs/dbraw/zinc/79/97/09/584799709.db2.gz MSZQGNQUGXDUGU-IFWUJCSASA-N 2 1 208.349 1.574 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827431 584804884 /nfs/dbraw/zinc/80/48/84/584804884.db2.gz SJKQLFIVSKNMNX-GFCCVEGCSA-N 2 1 228.405 1.813 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903831955 584806222 /nfs/dbraw/zinc/80/62/22/584806222.db2.gz OYHMCGODYHQOGU-JTQLQIEISA-N 2 1 225.361 1.356 20 0 BDADMP C[C@H]1CSCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903831908 584806233 /nfs/dbraw/zinc/80/62/33/584806233.db2.gz NPDDZIPPWNGBTP-TUAOUCFPSA-N 2 1 228.405 1.941 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903831663 584806268 /nfs/dbraw/zinc/80/62/68/584806268.db2.gz MCMAOULHDKYATA-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2CC1CC=CC1 ZINC000903856619 584808860 /nfs/dbraw/zinc/80/88/60/584808860.db2.gz AOJBSSJUPWXYKE-CHWSQXEVSA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC1CC=CC1 ZINC000903856619 584808862 /nfs/dbraw/zinc/80/88/62/584808862.db2.gz AOJBSSJUPWXYKE-CHWSQXEVSA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC1CC=CC1 ZINC000903856619 584808863 /nfs/dbraw/zinc/80/88/63/584808863.db2.gz AOJBSSJUPWXYKE-CHWSQXEVSA-N 2 1 206.333 1.766 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903855414 584809058 /nfs/dbraw/zinc/80/90/58/584809058.db2.gz MTLRVTHZVUXTGA-ZIAGYGMSSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855414 584809059 /nfs/dbraw/zinc/80/90/59/584809059.db2.gz MTLRVTHZVUXTGA-ZIAGYGMSSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855414 584809060 /nfs/dbraw/zinc/80/90/60/584809060.db2.gz MTLRVTHZVUXTGA-ZIAGYGMSSA-N 2 1 240.391 1.862 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903855498 584809332 /nfs/dbraw/zinc/80/93/32/584809332.db2.gz OKCYNYCQWOPVST-WDEREUQCSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855498 584809333 /nfs/dbraw/zinc/80/93/33/584809333.db2.gz OKCYNYCQWOPVST-WDEREUQCSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855498 584809335 /nfs/dbraw/zinc/80/93/35/584809335.db2.gz OKCYNYCQWOPVST-WDEREUQCSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855498 584809336 /nfs/dbraw/zinc/80/93/36/584809336.db2.gz OKCYNYCQWOPVST-WDEREUQCSA-N 2 1 214.378 1.553 20 0 BDADMP CC1(C)CO[C@H](C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903861273 584811480 /nfs/dbraw/zinc/81/14/80/584811480.db2.gz WTSOEJFAPMZLTR-OBJOEFQTSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903861273 584811482 /nfs/dbraw/zinc/81/14/82/584811482.db2.gz WTSOEJFAPMZLTR-OBJOEFQTSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903860989 584811767 /nfs/dbraw/zinc/81/17/67/584811767.db2.gz VERDMQJFKHRPRN-RVMXOQNASA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903860989 584811768 /nfs/dbraw/zinc/81/17/68/584811768.db2.gz VERDMQJFKHRPRN-RVMXOQNASA-N 2 1 224.348 1.225 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2CCCCCC[NH3+] ZINC000903861428 584812114 /nfs/dbraw/zinc/81/21/14/584812114.db2.gz WWOTYSPEAKZDJG-CHWSQXEVSA-N 2 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861428 584812115 /nfs/dbraw/zinc/81/21/15/584812115.db2.gz WWOTYSPEAKZDJG-CHWSQXEVSA-N 3 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861428 584812116 /nfs/dbraw/zinc/81/21/16/584812116.db2.gz WWOTYSPEAKZDJG-CHWSQXEVSA-N 3 1 225.380 1.319 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861116 584812465 /nfs/dbraw/zinc/81/24/65/584812465.db2.gz VHLSRJFWDZBQRY-XQHKEYJVSA-N 2 1 208.349 1.846 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861116 584812466 /nfs/dbraw/zinc/81/24/66/584812466.db2.gz VHLSRJFWDZBQRY-XQHKEYJVSA-N 2 1 208.349 1.846 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903864292 584812930 /nfs/dbraw/zinc/81/29/30/584812930.db2.gz HJWLKJNZYHRWPO-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903864292 584812931 /nfs/dbraw/zinc/81/29/31/584812931.db2.gz HJWLKJNZYHRWPO-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP CC1CC(C[N@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903870669 584814637 /nfs/dbraw/zinc/81/46/37/584814637.db2.gz PFQKEXHLADXKJF-WXRRBKDZSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1O ZINC000903909295 584821496 /nfs/dbraw/zinc/82/14/96/584821496.db2.gz SVNLAMKSCBTAMS-JWURUJNWSA-N 2 1 238.375 1.220 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000903909608 584821710 /nfs/dbraw/zinc/82/17/10/584821710.db2.gz GJMSMSPGLFRCLH-GARJFASQSA-N 2 1 248.317 1.327 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000903909608 584821712 /nfs/dbraw/zinc/82/17/12/584821712.db2.gz GJMSMSPGLFRCLH-GARJFASQSA-N 2 1 248.317 1.327 20 0 BDADMP C[N@@H+](CCCCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903911257 584822436 /nfs/dbraw/zinc/82/24/36/584822436.db2.gz ZZSGJCUNOGJGJE-UHFFFAOYSA-N 2 1 248.370 1.537 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903918612 584822671 /nfs/dbraw/zinc/82/26/71/584822671.db2.gz CQCGSQJZZWKEQF-RKDXNWHRSA-N 3 1 223.311 1.076 20 0 BDADMP C([NH2+][C@H]1CCCCNC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918865 584823062 /nfs/dbraw/zinc/82/30/62/584823062.db2.gz JMKTYPBNBRDZHX-GSPSYOTPSA-N 2 1 237.391 1.249 20 0 BDADMP [NH3+][C@@H](C[NH2+]CCc1ccccc1F)CC(F)F ZINC000903919476 584823124 /nfs/dbraw/zinc/82/31/24/584823124.db2.gz CRWCPCLBXRPRAT-SNVBAGLBSA-N 2 1 246.276 1.940 20 0 BDADMP [NH3+][C@@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)CC(F)F ZINC000903920971 584823202 /nfs/dbraw/zinc/82/32/02/584823202.db2.gz YXBGYKJQEKBNKF-ZJUUUORDSA-N 3 1 235.322 1.091 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934015 584825043 /nfs/dbraw/zinc/82/50/43/584825043.db2.gz YWCVWBGVZOPFFJ-OEWLLCOZSA-N 2 1 249.402 1.330 20 0 BDADMP N[C@]12CCC[C@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934015 584825045 /nfs/dbraw/zinc/82/50/45/584825045.db2.gz YWCVWBGVZOPFFJ-OEWLLCOZSA-N 2 1 249.402 1.330 20 0 BDADMP N[C@]12CCC[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934015 584825046 /nfs/dbraw/zinc/82/50/46/584825046.db2.gz YWCVWBGVZOPFFJ-OEWLLCOZSA-N 2 1 249.402 1.330 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000903934421 584825629 /nfs/dbraw/zinc/82/56/29/584825629.db2.gz GUPQGTSLGDGGEW-WYTNZGFTSA-N 3 1 237.391 1.247 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H](N)CC(F)F ZINC000903937869 584826091 /nfs/dbraw/zinc/82/60/91/584826091.db2.gz SZNJWHSGUHQYQL-SNVBAGLBSA-N 2 1 237.338 1.420 20 0 BDADMP CN(CCCCCC[NH3+])C[C@H]([NH3+])CC(F)F ZINC000903937869 584826092 /nfs/dbraw/zinc/82/60/92/584826092.db2.gz SZNJWHSGUHQYQL-SNVBAGLBSA-N 2 1 237.338 1.420 20 0 BDADMP FC1(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903959496 584827881 /nfs/dbraw/zinc/82/78/81/584827881.db2.gz IZRSXTXJINHZMA-LBPRGKRZSA-N 2 1 226.339 1.954 20 0 BDADMP FC1(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903959496 584827882 /nfs/dbraw/zinc/82/78/82/584827882.db2.gz IZRSXTXJINHZMA-LBPRGKRZSA-N 2 1 226.339 1.954 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000903953697 584831628 /nfs/dbraw/zinc/83/16/28/584831628.db2.gz JEPSASZRNGYPIY-HTOAHKCRSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969773 584832055 /nfs/dbraw/zinc/83/20/55/584832055.db2.gz KXIWKLIXDQQDNW-FRRDWIJNSA-N 2 1 238.375 1.391 20 0 BDADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccncc1 ZINC000903955264 584832214 /nfs/dbraw/zinc/83/22/14/584832214.db2.gz OBFZIVUUCXNKFG-LLVKDONJSA-N 2 1 241.285 1.416 20 0 BDADMP C[C@@H]1C[N@@H+](CC2=CCCOC2)C[C@H]1CC[NH3+] ZINC000903978367 584833287 /nfs/dbraw/zinc/83/32/87/584833287.db2.gz MTNKSDKOYHDJMW-DGCLKSJQSA-N 2 1 224.348 1.250 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC000903964356 584833981 /nfs/dbraw/zinc/83/39/81/584833981.db2.gz KCNZSODYASMKEM-KOLCDFICSA-N 2 1 240.297 1.910 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903968413 584834948 /nfs/dbraw/zinc/83/49/48/584834948.db2.gz VMBPOIIFWSOZGE-OLZOCXBDSA-N 3 1 239.407 1.306 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903986542 584835575 /nfs/dbraw/zinc/83/55/75/584835575.db2.gz LYIKAPZGZMLOCG-YNEHKIRRSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903986542 584835576 /nfs/dbraw/zinc/83/55/76/584835576.db2.gz LYIKAPZGZMLOCG-YNEHKIRRSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299917 584860876 /nfs/dbraw/zinc/86/08/76/584860876.db2.gz RNQZQCQABOMFRU-AWEZNQCLSA-N 3 1 233.359 1.187 20 0 BDADMP C[NH2+]C[C@@H]1CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299917 584860877 /nfs/dbraw/zinc/86/08/77/584860877.db2.gz RNQZQCQABOMFRU-AWEZNQCLSA-N 2 1 233.359 1.187 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904300829 584861068 /nfs/dbraw/zinc/86/10/68/584861068.db2.gz BURZKLFXYDKOCF-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904300829 584861069 /nfs/dbraw/zinc/86/10/69/584861069.db2.gz BURZKLFXYDKOCF-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP CCC[C@H]1CNCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904300849 584861305 /nfs/dbraw/zinc/86/13/05/584861305.db2.gz CDCBWZXLFKONHH-HNNXBMFYSA-N 2 1 247.386 1.719 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904300849 584861306 /nfs/dbraw/zinc/86/13/06/584861306.db2.gz CDCBWZXLFKONHH-HNNXBMFYSA-N 2 1 247.386 1.719 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCOC1 ZINC000904309951 584863035 /nfs/dbraw/zinc/86/30/35/584863035.db2.gz TXMGNCVHBJMXCM-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C1CC1)C1CC1 ZINC000904314234 584863176 /nfs/dbraw/zinc/86/31/76/584863176.db2.gz USBZYNRBJNLGDO-WVSHTKLVSA-N 2 1 208.349 1.844 20 0 BDADMP COc1ccccc1CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904318176 584863954 /nfs/dbraw/zinc/86/39/54/584863954.db2.gz NQDYSXQBNLQGGZ-XBXGTLAGSA-N 2 1 248.370 1.907 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000904323737 584864743 /nfs/dbraw/zinc/86/47/43/584864743.db2.gz RPJUPCMVFJHOTN-MCIONIFRSA-N 3 1 237.391 1.141 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322074 584864859 /nfs/dbraw/zinc/86/48/59/584864859.db2.gz NXKWEZGETJTYDP-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@]1(C)CO ZINC000904341530 584867090 /nfs/dbraw/zinc/86/70/90/584867090.db2.gz UCDXAQVADDDFGO-TZMCWYRMSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@]1(C)CO ZINC000904341530 584867091 /nfs/dbraw/zinc/86/70/91/584867091.db2.gz UCDXAQVADDDFGO-TZMCWYRMSA-N 2 1 242.407 1.987 20 0 BDADMP C[NH+]1CCC2(CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904342064 584867475 /nfs/dbraw/zinc/86/74/75/584867475.db2.gz WHJHVFJSUUMLRW-BETUJISGSA-N 3 1 237.391 1.284 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000904343495 584867690 /nfs/dbraw/zinc/86/76/90/584867690.db2.gz UPIFMSILMBAWOL-LPWJVIDDSA-N 2 1 224.348 1.082 20 0 BDADMP CC1(C)C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346510 584868063 /nfs/dbraw/zinc/86/80/63/584868063.db2.gz SHPQFLCEELKBDV-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP CCCC[C@H](CN)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904350095 584868931 /nfs/dbraw/zinc/86/89/31/584868931.db2.gz HWRYNFRFBMEAAT-CQSZACIVSA-N 2 1 235.375 1.752 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904350095 584868932 /nfs/dbraw/zinc/86/89/32/584868932.db2.gz HWRYNFRFBMEAAT-CQSZACIVSA-N 3 1 235.375 1.752 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000904353629 584870526 /nfs/dbraw/zinc/87/05/26/584870526.db2.gz PHXHWRHAVIMAEE-UHFFFAOYSA-N 3 1 247.386 1.897 20 0 BDADMP C[C@@]1(CNCc2ccc(C[NH3+])cc2)CCC[NH2+]C1 ZINC000904355293 584870624 /nfs/dbraw/zinc/87/06/24/584870624.db2.gz MGQVDUOSNMZIOY-OAHLLOKOSA-N 2 1 247.386 1.625 20 0 BDADMP C[C@H]1CC2(C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1)CCOCC2 ZINC000904374339 584873599 /nfs/dbraw/zinc/87/35/99/584873599.db2.gz QERSKGMGOONTJZ-RWMBFGLXSA-N 2 1 238.375 1.615 20 0 BDADMP NC[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904373054 584873909 /nfs/dbraw/zinc/87/39/09/584873909.db2.gz AJDYULMDXZLKDX-LNSITVRQSA-N 2 1 245.370 1.282 20 0 BDADMP [NH3+]C[C@H]1c2ccccc2CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904373054 584873910 /nfs/dbraw/zinc/87/39/10/584873910.db2.gz AJDYULMDXZLKDX-LNSITVRQSA-N 2 1 245.370 1.282 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nccn1C1CC1 ZINC000904373818 584873969 /nfs/dbraw/zinc/87/39/69/584873969.db2.gz KNNALCUHPVZXOL-VHSXEESVSA-N 2 1 222.336 1.433 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000904376248 584876244 /nfs/dbraw/zinc/87/62/44/584876244.db2.gz NHKARBJZXCDIEV-RVMXOQNASA-N 3 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904376505 584876439 /nfs/dbraw/zinc/87/64/39/584876439.db2.gz UVNDMPQARZSZDY-RISCZKNCSA-N 3 1 233.359 1.457 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(C[NH3+])cc1 ZINC000904376505 584876440 /nfs/dbraw/zinc/87/64/40/584876440.db2.gz UVNDMPQARZSZDY-RISCZKNCSA-N 2 1 233.359 1.457 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000904380154 584876837 /nfs/dbraw/zinc/87/68/37/584876837.db2.gz JIZUDONORIAXLR-GJZGRUSLSA-N 3 1 245.370 1.459 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000904380154 584876838 /nfs/dbraw/zinc/87/68/38/584876838.db2.gz JIZUDONORIAXLR-GJZGRUSLSA-N 3 1 245.370 1.459 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406660 584878434 /nfs/dbraw/zinc/87/84/34/584878434.db2.gz UAFUROGTJWPOBL-SNVBAGLBSA-N 2 1 240.372 1.927 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410603 584879001 /nfs/dbraw/zinc/87/90/01/584879001.db2.gz PPAIRWRQTKHFHN-MCIONIFRSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412177 584879473 /nfs/dbraw/zinc/87/94/73/584879473.db2.gz RUTMRIOKRARMCU-CMPLNLGQSA-N 2 1 236.363 1.145 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412339 584879511 /nfs/dbraw/zinc/87/95/11/584879511.db2.gz SXMCVYKXBHSPFP-NEPJUHHUSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1ccnc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412675 584879636 /nfs/dbraw/zinc/87/96/36/584879636.db2.gz WBSWLOUWKMDOSK-VXGBXAGGSA-N 2 1 236.363 1.320 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411318 584879851 /nfs/dbraw/zinc/87/98/51/584879851.db2.gz UMHHBDUGLWBDON-IJLUTSLNSA-N 2 1 214.353 1.186 20 0 BDADMP C[C@H]([NH3+])CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000877102261 584889994 /nfs/dbraw/zinc/88/99/94/584889994.db2.gz CZLRDPQZTMZBRK-WCQYABFASA-N 2 1 249.358 1.095 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000842476776 584897805 /nfs/dbraw/zinc/89/78/05/584897805.db2.gz VKKKLURAHUVXHN-HZSPNIEDSA-N 3 1 241.423 1.872 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000817913699 584991426 /nfs/dbraw/zinc/99/14/26/584991426.db2.gz QUCNESMWVSAIAF-RDBSUJKOSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@H](CCO)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000840810287 585049277 /nfs/dbraw/zinc/04/92/77/585049277.db2.gz QIVCZJHYZGMNOD-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP O[C@H](C[N@H+]1CC[C@@H](Oc2ccncc2)C1)C1CC1 ZINC000838977964 585083886 /nfs/dbraw/zinc/08/38/86/585083886.db2.gz YJFREKBGHWESCH-ZIAGYGMSSA-N 2 1 248.326 1.306 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCCCCO)C1 ZINC000743847423 585140606 /nfs/dbraw/zinc/14/06/06/585140606.db2.gz CHDVMPHPFSSBPK-CQSZACIVSA-N 2 1 242.407 1.813 20 0 BDADMP CN(CCF)CC[C@H]1CCCC[N@H+]1C ZINC000759347477 585370755 /nfs/dbraw/zinc/37/07/55/585370755.db2.gz OECQAJHCMVCUBZ-LLVKDONJSA-N 2 1 202.317 1.762 20 0 BDADMP CN(CC[NH+]1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000760835385 585398608 /nfs/dbraw/zinc/39/86/08/585398608.db2.gz ZNMBHEWLBVHWCU-AWEZNQCLSA-N 2 1 237.391 1.251 20 0 BDADMP c1c[nH+]c(C2CCN(CC[NH+]3CCCC3)CC2)[nH]1 ZINC000760842621 585399476 /nfs/dbraw/zinc/39/94/76/585399476.db2.gz BJNVLNCZWSHOEY-UHFFFAOYSA-N 2 1 248.374 1.685 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)C1CC1 ZINC000763069126 585442828 /nfs/dbraw/zinc/44/28/28/585442828.db2.gz SEGQLNYOXTWANY-CYBMUJFWSA-N 2 1 237.347 1.332 20 0 BDADMP COCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768241253 585534507 /nfs/dbraw/zinc/53/45/07/585534507.db2.gz QPGSZJNCSMEKJV-UHFFFAOYSA-N 2 1 236.359 1.826 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCO ZINC000779340599 585751750 /nfs/dbraw/zinc/75/17/50/585751750.db2.gz LHRWTMJUOGZSIT-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCO ZINC000779340599 585751751 /nfs/dbraw/zinc/75/17/51/585751751.db2.gz LHRWTMJUOGZSIT-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCO ZINC000779340738 585751838 /nfs/dbraw/zinc/75/18/38/585751838.db2.gz LHRWTMJUOGZSIT-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCO ZINC000779340738 585751839 /nfs/dbraw/zinc/75/18/39/585751839.db2.gz LHRWTMJUOGZSIT-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCO ZINC000779401052 585753404 /nfs/dbraw/zinc/75/34/04/585753404.db2.gz SFCADWUYMDEZOG-WDEREUQCSA-N 2 1 202.342 1.077 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCO ZINC000779401052 585753405 /nfs/dbraw/zinc/75/34/05/585753405.db2.gz SFCADWUYMDEZOG-WDEREUQCSA-N 2 1 202.342 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCS1 ZINC000788482239 585925402 /nfs/dbraw/zinc/92/54/02/585925402.db2.gz KHGXXTMQUVSPIF-LLVKDONJSA-N 2 1 228.405 1.766 20 0 BDADMP C[C@H](C[S@](C)=O)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000788490083 585925568 /nfs/dbraw/zinc/92/55/68/585925568.db2.gz XEKKSZILXCXXST-BZNIZROVSA-N 2 1 246.420 1.027 20 0 BDADMP C[C@H](C[S@@](C)=O)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000788490082 585925681 /nfs/dbraw/zinc/92/56/81/585925681.db2.gz XEKKSZILXCXXST-BDJLRTHQSA-N 2 1 246.420 1.027 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000859314241 589030160 /nfs/dbraw/zinc/03/01/60/589030160.db2.gz HIJXSLJPRWSZOR-JXQTWKCFSA-N 2 1 238.375 1.439 20 0 BDADMP COC1CC(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000859314241 589030162 /nfs/dbraw/zinc/03/01/62/589030162.db2.gz HIJXSLJPRWSZOR-JXQTWKCFSA-N 2 1 238.375 1.439 20 0 BDADMP COC1CC(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000859314241 589030164 /nfs/dbraw/zinc/03/01/64/589030164.db2.gz HIJXSLJPRWSZOR-JXQTWKCFSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)cn1 ZINC000808387611 586470253 /nfs/dbraw/zinc/47/02/53/586470253.db2.gz WKGOFZLVEWBZRE-LLVKDONJSA-N 2 1 247.346 1.351 20 0 BDADMP CC[N@@H+](Cc1cccc2nccn21)[C@H](C)CO ZINC000814169692 586614712 /nfs/dbraw/zinc/61/47/12/586614712.db2.gz LVKXRAJMGADBRW-LLVKDONJSA-N 2 1 233.315 1.537 20 0 BDADMP Cc1cccc(F)c1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817897474 586835282 /nfs/dbraw/zinc/83/52/82/586835282.db2.gz QHWGNGHUPMLOAB-JTQLQIEISA-N 2 1 222.307 1.832 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912349 586837868 /nfs/dbraw/zinc/83/78/68/586837868.db2.gz GJFOLGAYJMAQTG-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000817911448 586838583 /nfs/dbraw/zinc/83/85/83/586838583.db2.gz AMHFYNNTPZYVRA-YUELXQCFSA-N 2 1 248.370 1.624 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(F)n1 ZINC000817916533 586839022 /nfs/dbraw/zinc/83/90/22/586839022.db2.gz HBBRJYICXGEJLD-BDAKNGLRSA-N 2 1 211.284 1.436 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])N1CCCCC1 ZINC000817914681 586839043 /nfs/dbraw/zinc/83/90/43/586839043.db2.gz XZHMNPLVIGGMNQ-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1c[nH+]ccc1N ZINC000817913304 586839221 /nfs/dbraw/zinc/83/92/21/586839221.db2.gz NLNWRHMZOAMETA-NWDGAFQWSA-N 2 1 248.374 1.629 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)N1CCCCC1 ZINC000817913898 586839390 /nfs/dbraw/zinc/83/93/90/586839390.db2.gz PZCPYQDQJCSTOA-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(F)n1 ZINC000817916541 586839606 /nfs/dbraw/zinc/83/96/06/586839606.db2.gz HBBRJYICXGEJLD-IUCAKERBSA-N 2 1 211.284 1.436 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000817918919 586840391 /nfs/dbraw/zinc/84/03/91/586840391.db2.gz ZPKDKAWMARJEMY-CMPLNLGQSA-N 2 1 237.322 1.698 20 0 BDADMP CC[C@@H]([NH2+]CCc1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000817923299 586841693 /nfs/dbraw/zinc/84/16/93/586841693.db2.gz WPFIPXUFYDRHOZ-OLZOCXBDSA-N 2 1 236.363 1.083 20 0 BDADMP COc1cc(C)c([C@@H](C)[NH2+]CC[NH3+])cc1C ZINC000817935435 586842978 /nfs/dbraw/zinc/84/29/78/586842978.db2.gz VWOVRHWJXDFLEA-LLVKDONJSA-N 2 1 222.332 1.921 20 0 BDADMP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000817950818 586847315 /nfs/dbraw/zinc/84/73/15/586847315.db2.gz ZTWYFWOFPITHAW-QWHCGFSZSA-N 2 1 238.375 1.677 20 0 BDADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC000817969324 586856431 /nfs/dbraw/zinc/85/64/31/586856431.db2.gz BSXLHFGPCFLIGK-GXFFZTMASA-N 2 1 204.317 1.919 20 0 BDADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000817971669 586858117 /nfs/dbraw/zinc/85/81/17/586858117.db2.gz OSIXPWZSUNVTBT-ZWNOBZJWSA-N 2 1 204.317 1.919 20 0 BDADMP COCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820806019 587073792 /nfs/dbraw/zinc/07/37/92/587073792.db2.gz XQMMUBJXVLIXGD-QXMXGUDHSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000832564031 587666576 /nfs/dbraw/zinc/66/65/76/587666576.db2.gz AQHLUNADOOYNED-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000832564031 587666578 /nfs/dbraw/zinc/66/65/78/587666578.db2.gz AQHLUNADOOYNED-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841036700 587937819 /nfs/dbraw/zinc/93/78/19/587937819.db2.gz VWKARXOROYXHMG-GMTAPVOTSA-N 2 1 246.445 1.565 20 0 BDADMP FCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474674 588028471 /nfs/dbraw/zinc/02/84/71/588028471.db2.gz WTGCPDJYVPEPFN-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP FCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474674 588028473 /nfs/dbraw/zinc/02/84/73/588028473.db2.gz WTGCPDJYVPEPFN-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP c1ccc([C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC000842476115 588029844 /nfs/dbraw/zinc/02/98/44/588029844.db2.gz HCLJUPBDGYIJEF-KGLIPLIRSA-N 2 1 245.370 1.871 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843047192 588076355 /nfs/dbraw/zinc/07/63/55/588076355.db2.gz JIHYUQVIHZXCCI-CYBMUJFWSA-N 2 1 246.354 1.888 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCC[NH3+])[C@H](C)C1 ZINC000843126543 588084435 /nfs/dbraw/zinc/08/44/35/588084435.db2.gz IOFGVLJKQOKKAB-KGLIPLIRSA-N 3 1 241.423 1.825 20 0 BDADMP CCN1CC[C@H]([NH2+]CCCCCC[NH3+])[C@H](C)C1 ZINC000843126543 588084437 /nfs/dbraw/zinc/08/44/37/588084437.db2.gz IOFGVLJKQOKKAB-KGLIPLIRSA-N 2 1 241.423 1.825 20 0 BDADMP CC[NH2+]Cc1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC000843143433 588086407 /nfs/dbraw/zinc/08/64/07/588086407.db2.gz OPJDPMHXEZBSBQ-UHFFFAOYSA-N 2 1 243.270 1.494 20 0 BDADMP [NH3+]CCCCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000843342228 588100887 /nfs/dbraw/zinc/10/08/87/588100887.db2.gz OSIQWDLRCFKVLO-GFCCVEGCSA-N 2 1 236.363 1.896 20 0 BDADMP [NH3+]CCCCCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000843342230 588100990 /nfs/dbraw/zinc/10/09/90/588100990.db2.gz OSIQWDLRCFKVLO-LBPRGKRZSA-N 2 1 236.363 1.896 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342698 588101282 /nfs/dbraw/zinc/10/12/82/588101282.db2.gz SGTUJNPGHQLKOV-JTQLQIEISA-N 2 1 224.352 1.888 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342699 588101356 /nfs/dbraw/zinc/10/13/56/588101356.db2.gz SGTUJNPGHQLKOV-SNVBAGLBSA-N 2 1 224.352 1.888 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843345973 588102072 /nfs/dbraw/zinc/10/20/72/588102072.db2.gz IJYVJGKTSZEVCN-AWEZNQCLSA-N 3 1 241.423 1.827 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCCCCC[NH3+] ZINC000843356494 588103344 /nfs/dbraw/zinc/10/33/44/588103344.db2.gz SGKRMBXDOLFYOZ-CYBMUJFWSA-N 3 1 229.412 1.859 20 0 BDADMP Cc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000843358766 588103834 /nfs/dbraw/zinc/10/38/34/588103834.db2.gz ZGGOZBZPZIIKJF-ZDUSSCGKSA-N 2 1 230.355 1.963 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843364528 588104537 /nfs/dbraw/zinc/10/45/37/588104537.db2.gz LMYAGVVSKFQNJB-OLZOCXBDSA-N 3 1 227.396 1.565 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843377996 588105499 /nfs/dbraw/zinc/10/54/99/588105499.db2.gz DCUNERFHIVTLRX-CQSZACIVSA-N 3 1 241.423 1.956 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843378081 588105932 /nfs/dbraw/zinc/10/59/32/588105932.db2.gz ZBQDXGJVARFLTL-UONOGXRCSA-N 3 1 241.423 1.955 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)NC(C)(C)C[NH3+] ZINC000844164731 588171748 /nfs/dbraw/zinc/17/17/48/588171748.db2.gz OVVDBMHDXJFRPS-UHFFFAOYSA-N 2 1 243.395 1.352 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460133 588197036 /nfs/dbraw/zinc/19/70/36/588197036.db2.gz VWJKELVALQPPAE-PHIMTYICSA-N 2 1 241.285 1.779 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460133 588197038 /nfs/dbraw/zinc/19/70/38/588197038.db2.gz VWJKELVALQPPAE-PHIMTYICSA-N 2 1 241.285 1.779 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000846217080 588260252 /nfs/dbraw/zinc/26/02/52/588260252.db2.gz ZEYMZRXRRBAZHZ-GFCCVEGCSA-N 2 1 213.369 1.176 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217966 588260474 /nfs/dbraw/zinc/26/04/74/588260474.db2.gz PPGDIKDSEQDOLZ-OLZOCXBDSA-N 2 1 227.396 1.565 20 0 BDADMP CC(C)[C@H]1C[N@H+](CCCCCC[NH3+])CCN1 ZINC000846220805 588261256 /nfs/dbraw/zinc/26/12/56/588261256.db2.gz VCZIPDLTKVBOLJ-CYBMUJFWSA-N 2 1 227.396 1.435 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1 ZINC000846220805 588261257 /nfs/dbraw/zinc/26/12/57/588261257.db2.gz VCZIPDLTKVBOLJ-CYBMUJFWSA-N 2 1 227.396 1.435 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000846220534 588261425 /nfs/dbraw/zinc/26/14/25/588261425.db2.gz JYJQCIRHWAMWAC-CQSZACIVSA-N 2 1 239.407 1.581 20 0 BDADMP CCCOC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000846227168 588261649 /nfs/dbraw/zinc/26/16/49/588261649.db2.gz HZBLHOVTXCZYMU-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCC[NH3+] ZINC000846708852 588283587 /nfs/dbraw/zinc/28/35/87/588283587.db2.gz WJTOGKXSMYJXMM-RYUDHWBXSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCCC[NH3+] ZINC000846706852 588283703 /nfs/dbraw/zinc/28/37/03/588283703.db2.gz BPGKIPRMXVCUQM-CHWSQXEVSA-N 3 1 227.396 1.707 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccnc2F)C1 ZINC000848719892 588408267 /nfs/dbraw/zinc/40/82/67/588408267.db2.gz GDTIYTWBVLOMHA-WDEREUQCSA-N 2 1 223.295 1.580 20 0 BDADMP CN(C)c1cc[nH+]c(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000848754633 588412191 /nfs/dbraw/zinc/41/21/91/588412191.db2.gz WYMPEUUHOPTPIO-PHIMTYICSA-N 2 1 249.362 1.295 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])N1CCCCC1 ZINC000848987011 588426156 /nfs/dbraw/zinc/42/61/56/588426156.db2.gz DXMXSBLEGJLIPW-UHFFFAOYSA-N 2 1 249.362 1.592 20 0 BDADMP CCN(CC)C(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987570 588426296 /nfs/dbraw/zinc/42/62/96/588426296.db2.gz HSUDZTXAILDZFZ-UHFFFAOYSA-N 2 1 228.384 1.583 20 0 BDADMP CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987275 588426300 /nfs/dbraw/zinc/42/63/00/588426300.db2.gz WXOMLJACCBEQHJ-GHMZBOCLSA-N 2 1 226.368 1.383 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNC1=[NH+]CCCN1C ZINC000848987478 588426493 /nfs/dbraw/zinc/42/64/93/588426493.db2.gz AFNCGZBYPPCTSC-GFCCVEGCSA-N 2 1 238.379 1.142 20 0 BDADMP C[C@H](CNC(=[NH2+])N1CCCCCC1)[NH+](C)C ZINC000848996540 588429174 /nfs/dbraw/zinc/42/91/74/588429174.db2.gz CZMUQBLRBSMNNS-LLVKDONJSA-N 2 1 226.368 1.337 20 0 BDADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849004713 588432216 /nfs/dbraw/zinc/43/22/16/588432216.db2.gz WYTMEWWWUMOPIJ-JTQLQIEISA-N 2 1 226.368 1.241 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000849005804 588432478 /nfs/dbraw/zinc/43/24/78/588432478.db2.gz SHXXIBIHTQLWGS-UHFFFAOYSA-N 2 1 226.368 1.337 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000849006313 588433007 /nfs/dbraw/zinc/43/30/07/588433007.db2.gz VUEZPHSPJRFEGW-LLVKDONJSA-N 2 1 240.395 1.773 20 0 BDADMP CCN(CC)C(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849040709 588447479 /nfs/dbraw/zinc/44/74/79/588447479.db2.gz CLWQEBMHRJLDOH-LBPRGKRZSA-N 2 1 240.395 1.584 20 0 BDADMP CCCCNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041747 588448430 /nfs/dbraw/zinc/44/84/30/588448430.db2.gz WKLSEDGEHYDIEN-GFCCVEGCSA-N 2 1 240.395 1.632 20 0 BDADMP CCN(CC)C(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849047523 588450860 /nfs/dbraw/zinc/45/08/60/588450860.db2.gz ZXQQTCNASRZAOU-UHFFFAOYSA-N 2 1 242.411 1.830 20 0 BDADMP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c[nH]1 ZINC000850395893 588543553 /nfs/dbraw/zinc/54/35/53/588543553.db2.gz DIHFCOKFAGQJIP-AWEZNQCLSA-N 2 1 249.358 1.358 20 0 BDADMP C[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850538889 588558856 /nfs/dbraw/zinc/55/88/56/588558856.db2.gz NSZBHXSOVCJYJW-STQMWFEESA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H](CCO)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850538889 588558857 /nfs/dbraw/zinc/55/88/57/588558857.db2.gz NSZBHXSOVCJYJW-STQMWFEESA-N 2 1 240.391 1.754 20 0 BDADMP COC(CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000851796889 588629884 /nfs/dbraw/zinc/62/98/84/588629884.db2.gz LUIBMBBUEVGKAF-VXGBXAGGSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000851796889 588629885 /nfs/dbraw/zinc/62/98/85/588629885.db2.gz LUIBMBBUEVGKAF-VXGBXAGGSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000851796889 588629886 /nfs/dbraw/zinc/62/98/86/588629886.db2.gz LUIBMBBUEVGKAF-VXGBXAGGSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000851796889 588629887 /nfs/dbraw/zinc/62/98/87/588629887.db2.gz LUIBMBBUEVGKAF-VXGBXAGGSA-N 2 1 244.379 1.410 20 0 BDADMP CO[C@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC000852009085 588654751 /nfs/dbraw/zinc/65/47/51/588654751.db2.gz YCVPPNRWMYRLAV-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP COC(=O)C12CC(C1)C[N@H+]2CCCCCC[NH3+] ZINC000852755179 588700534 /nfs/dbraw/zinc/70/05/34/588700534.db2.gz GEWKQWRJHCRWSC-UHFFFAOYSA-N 2 1 240.347 1.143 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]C ZINC000852921677 588713703 /nfs/dbraw/zinc/71/37/03/588713703.db2.gz QGOSVAVVCPSUSK-LBPRGKRZSA-N 2 1 243.395 1.223 20 0 BDADMP NC(=[NH2+])NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000864357990 589355578 /nfs/dbraw/zinc/35/55/78/589355578.db2.gz CNJMFAYMJRVXLI-NSHDSACASA-N 2 1 224.352 1.267 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864455270 589366279 /nfs/dbraw/zinc/36/62/79/589366279.db2.gz LIXWZUDFJMJRGE-WOPDTQHZSA-N 2 1 238.379 1.239 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583720 589501662 /nfs/dbraw/zinc/50/16/62/589501662.db2.gz LJNXWAJBIAZWMS-SDDRHHMPSA-N 2 1 212.337 1.047 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583720 589501664 /nfs/dbraw/zinc/50/16/64/589501664.db2.gz LJNXWAJBIAZWMS-SDDRHHMPSA-N 2 1 212.337 1.047 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583720 589501665 /nfs/dbraw/zinc/50/16/65/589501665.db2.gz LJNXWAJBIAZWMS-SDDRHHMPSA-N 2 1 212.337 1.047 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583633 589501915 /nfs/dbraw/zinc/50/19/15/589501915.db2.gz DAKWRRUCETWUCL-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583633 589501916 /nfs/dbraw/zinc/50/19/16/589501916.db2.gz DAKWRRUCETWUCL-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583633 589501917 /nfs/dbraw/zinc/50/19/17/589501917.db2.gz DAKWRRUCETWUCL-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583633 589501918 /nfs/dbraw/zinc/50/19/18/589501918.db2.gz DAKWRRUCETWUCL-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703717 589513236 /nfs/dbraw/zinc/51/32/36/589513236.db2.gz KTYGXBKQAHCKKH-HIFRSBDPSA-N 2 1 245.370 1.795 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703717 589513237 /nfs/dbraw/zinc/51/32/37/589513237.db2.gz KTYGXBKQAHCKKH-HIFRSBDPSA-N 2 1 245.370 1.795 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703717 589513239 /nfs/dbraw/zinc/51/32/39/589513239.db2.gz KTYGXBKQAHCKKH-HIFRSBDPSA-N 2 1 245.370 1.795 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704476 589513828 /nfs/dbraw/zinc/51/38/28/589513828.db2.gz VQLDGESQWHWNFG-BFHYXJOUSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704476 589513830 /nfs/dbraw/zinc/51/38/30/589513830.db2.gz VQLDGESQWHWNFG-BFHYXJOUSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704476 589513831 /nfs/dbraw/zinc/51/38/31/589513831.db2.gz VQLDGESQWHWNFG-BFHYXJOUSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704476 589513833 /nfs/dbraw/zinc/51/38/33/589513833.db2.gz VQLDGESQWHWNFG-BFHYXJOUSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704476 589513834 /nfs/dbraw/zinc/51/38/34/589513834.db2.gz VQLDGESQWHWNFG-BFHYXJOUSA-N 3 1 237.391 1.012 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866722789 589515456 /nfs/dbraw/zinc/51/54/56/589515456.db2.gz DQILOAFYUUOSMF-RNJOBUHISA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866722789 589515460 /nfs/dbraw/zinc/51/54/60/589515460.db2.gz DQILOAFYUUOSMF-RNJOBUHISA-N 2 1 224.348 1.238 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723776 589515652 /nfs/dbraw/zinc/51/56/52/589515652.db2.gz IXUHILZSLODDCJ-STQMWFEESA-N 2 1 226.364 1.365 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723776 589515653 /nfs/dbraw/zinc/51/56/53/589515653.db2.gz IXUHILZSLODDCJ-STQMWFEESA-N 2 1 226.364 1.365 20 0 BDADMP C1=CCC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000866724977 589516175 /nfs/dbraw/zinc/51/61/75/589516175.db2.gz QBEBSGWYHNFVGA-CHWSQXEVSA-N 2 1 206.333 1.779 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867998575 589543142 /nfs/dbraw/zinc/54/31/42/589543142.db2.gz DKLMZWBJSKRJBS-MFKMUULPSA-N 2 1 247.342 1.027 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867998575 589543144 /nfs/dbraw/zinc/54/31/44/589543144.db2.gz DKLMZWBJSKRJBS-MFKMUULPSA-N 2 1 247.342 1.027 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000872127265 589876709 /nfs/dbraw/zinc/87/67/09/589876709.db2.gz RXUAAMCHMLWNBN-HTVCTNPSSA-N 2 1 238.375 1.220 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872142637 589883106 /nfs/dbraw/zinc/88/31/06/589883106.db2.gz BUGBEBPEJZIGMG-CHWSQXEVSA-N 2 1 249.358 1.805 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000872154823 589885792 /nfs/dbraw/zinc/88/57/92/589885792.db2.gz ZPFOKTGHQYAATG-BFHYXJOUSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC[C@H]1CC[NH2+]C1 ZINC000872155192 589886581 /nfs/dbraw/zinc/88/65/81/589886581.db2.gz GOULNFDETAXIMO-CYBMUJFWSA-N 3 1 227.396 1.437 20 0 BDADMP COCC1([N@@H+](C)C[C@H]2CC[NH2+]C2)CCC1 ZINC000872157657 589886594 /nfs/dbraw/zinc/88/65/94/589886594.db2.gz PNONJEXPZWMGDG-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000872253846 589900949 /nfs/dbraw/zinc/90/09/49/589900949.db2.gz KVJDYYAVXXMNLL-AGIUHOORSA-N 3 1 239.407 1.495 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316073 589909895 /nfs/dbraw/zinc/90/98/95/589909895.db2.gz FJEWDXUPCNCABR-OLZOCXBDSA-N 2 1 235.331 1.264 20 0 BDADMP C[N@@H+]1C[C@H]2CN(c3cc[nH+]cc3C3CC3)C[C@H]2C1 ZINC000872526232 589946891 /nfs/dbraw/zinc/94/68/91/589946891.db2.gz ZOXGNRXIAZKRJM-BETUJISGSA-N 2 1 243.354 1.957 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213436 589997266 /nfs/dbraw/zinc/99/72/66/589997266.db2.gz ZMOODAGUKLPHQY-IUCAKERBSA-N 3 1 239.388 1.219 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H](O)CC(C)(C)C2)CC[NH2+]C1 ZINC000873218958 589998836 /nfs/dbraw/zinc/99/88/36/589998836.db2.gz BDXRXYNIDURMTA-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCCCC[NH3+])CC[NH2+]1 ZINC000873231432 590002899 /nfs/dbraw/zinc/00/28/99/590002899.db2.gz IUICLOSHEWCZTH-ZIAGYGMSSA-N 3 1 241.423 1.825 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCCCCC[NH3+] ZINC000873231621 590003601 /nfs/dbraw/zinc/00/36/01/590003601.db2.gz SQKONVOMLVTHRG-ZDUSSCGKSA-N 3 1 229.412 1.811 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)CCCCCC[NH3+] ZINC000873231621 590003604 /nfs/dbraw/zinc/00/36/04/590003604.db2.gz SQKONVOMLVTHRG-ZDUSSCGKSA-N 2 1 229.412 1.811 20 0 BDADMP CC(C)C[C@H](N)C[N@H+](C)CCCCCC[NH3+] ZINC000873231621 590003607 /nfs/dbraw/zinc/00/36/07/590003607.db2.gz SQKONVOMLVTHRG-ZDUSSCGKSA-N 2 1 229.412 1.811 20 0 BDADMP CC(C)C[C@H](N)C[N@@H+](C)CCCCCC[NH3+] ZINC000873231621 590003609 /nfs/dbraw/zinc/00/36/09/590003609.db2.gz SQKONVOMLVTHRG-ZDUSSCGKSA-N 2 1 229.412 1.811 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000873236010 590003849 /nfs/dbraw/zinc/00/38/49/590003849.db2.gz SRVICZSRAKKGPX-UTUOFQBUSA-N 2 1 228.405 1.717 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236498 590004583 /nfs/dbraw/zinc/00/45/83/590004583.db2.gz HQJXQJQZMGALTL-AGIUHOORSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnn1C ZINC000873276222 590018039 /nfs/dbraw/zinc/01/80/39/590018039.db2.gz RVDYDGOKEJUSOL-WSMDXJOWSA-N 2 1 234.347 1.354 20 0 BDADMP COCC(C)(C)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000873283028 590019449 /nfs/dbraw/zinc/01/94/49/590019449.db2.gz YEDZSYQYVGDKJW-VXGBXAGGSA-N 2 1 228.380 1.637 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000873296297 590023885 /nfs/dbraw/zinc/02/38/85/590023885.db2.gz WXCKBBXEHNFILH-NGZCFLSTSA-N 2 1 222.336 1.561 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000020205676 590084907 /nfs/dbraw/zinc/08/49/07/590084907.db2.gz OJMJQMCWGQMBJD-PWSUYJOCSA-N 2 1 212.337 1.238 20 0 BDADMP CSC1(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000877743767 590410931 /nfs/dbraw/zinc/41/09/31/590410931.db2.gz YFZVQLQDOCXVJR-NEPJUHHUSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000877743767 590410932 /nfs/dbraw/zinc/41/09/32/590410932.db2.gz YFZVQLQDOCXVJR-NEPJUHHUSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000877743767 590410935 /nfs/dbraw/zinc/41/09/35/590410935.db2.gz YFZVQLQDOCXVJR-NEPJUHHUSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000877743767 590410938 /nfs/dbraw/zinc/41/09/38/590410938.db2.gz YFZVQLQDOCXVJR-NEPJUHHUSA-N 2 1 240.416 1.908 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CCF)C2)CC1 ZINC000878867629 590636322 /nfs/dbraw/zinc/63/63/22/590636322.db2.gz VHKRDMLSDCIILX-UHFFFAOYSA-N 2 1 200.301 1.374 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000878868087 590636991 /nfs/dbraw/zinc/63/69/91/590636991.db2.gz LCAKNMMFTLVXRW-LBPRGKRZSA-N 2 1 244.455 1.252 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccccn3)CC[C@@H]21 ZINC000879570069 590807784 /nfs/dbraw/zinc/80/77/84/590807784.db2.gz WZVGWYUUZXSQCB-ZFWWWQNUSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccccn3)CC[C@@H]21 ZINC000879570069 590807789 /nfs/dbraw/zinc/80/77/89/590807789.db2.gz WZVGWYUUZXSQCB-ZFWWWQNUSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccccn3)CC[C@@H]21 ZINC000879570069 590807792 /nfs/dbraw/zinc/80/77/92/590807792.db2.gz WZVGWYUUZXSQCB-ZFWWWQNUSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccccn3)CC[C@@H]21 ZINC000879570069 590807797 /nfs/dbraw/zinc/80/77/97/590807797.db2.gz WZVGWYUUZXSQCB-ZFWWWQNUSA-N 2 1 245.370 1.650 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580030 590817717 /nfs/dbraw/zinc/81/77/17/590817717.db2.gz DICCNKUPFYANBT-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580030 590817720 /nfs/dbraw/zinc/81/77/20/590817720.db2.gz DICCNKUPFYANBT-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580030 590817724 /nfs/dbraw/zinc/81/77/24/590817724.db2.gz DICCNKUPFYANBT-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCF)CC[C@H]21 ZINC000879580235 590819720 /nfs/dbraw/zinc/81/97/20/590819720.db2.gz FVIYITKTWRQQHU-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCF)CC[C@H]21 ZINC000879580235 590819722 /nfs/dbraw/zinc/81/97/22/590819722.db2.gz FVIYITKTWRQQHU-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCF)CC[C@H]21 ZINC000879580235 590819723 /nfs/dbraw/zinc/81/97/23/590819723.db2.gz FVIYITKTWRQQHU-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCF)CC[C@H]21 ZINC000879580235 590819725 /nfs/dbraw/zinc/81/97/25/590819725.db2.gz FVIYITKTWRQQHU-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP CC(C)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208937 590958761 /nfs/dbraw/zinc/95/87/61/590958761.db2.gz NAMLZBFGXLUAFW-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208937 590958762 /nfs/dbraw/zinc/95/87/62/590958762.db2.gz NAMLZBFGXLUAFW-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccncc2N)C1 ZINC000883028476 591519929 /nfs/dbraw/zinc/51/99/29/591519929.db2.gz LNVKJTGXTXPCEU-OLZOCXBDSA-N 2 1 248.374 1.626 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@H](C)C1 ZINC000883321108 591616636 /nfs/dbraw/zinc/61/66/36/591616636.db2.gz LNTMBCDWYOQIQA-YIYPIFLZSA-N 2 1 240.391 1.731 20 0 BDADMP Cn1cncc1CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000883417646 591653057 /nfs/dbraw/zinc/65/30/57/591653057.db2.gz IKRDHUJNUKDUFM-UHFFFAOYSA-N 2 1 236.363 1.164 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCOC(F)(F)F ZINC000883418688 591654251 /nfs/dbraw/zinc/65/42/51/591654251.db2.gz OWGSZBFDNGCYNO-VIFPVBQESA-N 2 1 242.285 1.876 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424575 591659176 /nfs/dbraw/zinc/65/91/76/591659176.db2.gz XCPMBWKJIIVCIM-UHFFFAOYSA-N 2 1 234.347 1.028 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000883442923 591669571 /nfs/dbraw/zinc/66/95/71/591669571.db2.gz VZJLSUWDAUBOLH-UWVGGRQHSA-N 2 1 239.750 1.950 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H](OC)C1CCC1 ZINC000883450323 591671369 /nfs/dbraw/zinc/67/13/69/591671369.db2.gz JRQGTAODZRTHDO-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H](OC)C1CCC1 ZINC000883450323 591671372 /nfs/dbraw/zinc/67/13/72/591671372.db2.gz JRQGTAODZRTHDO-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)[C@H]1CC[NH2+]C1 ZINC000883459069 591674428 /nfs/dbraw/zinc/67/44/28/591674428.db2.gz ITUIARHHTGAVFI-CYBMUJFWSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@@H+]1CCNCCC12CCC2)[C@H]1CC[NH2+]C1 ZINC000883459069 591674429 /nfs/dbraw/zinc/67/44/29/591674429.db2.gz ITUIARHHTGAVFI-CYBMUJFWSA-N 2 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCNCCC12CCC2)[C@H]1CC[NH2+]C1 ZINC000883459069 591674433 /nfs/dbraw/zinc/67/44/33/591674433.db2.gz ITUIARHHTGAVFI-CYBMUJFWSA-N 2 1 237.391 1.204 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])[C@H]1CCOC1 ZINC000134716096 591947330 /nfs/dbraw/zinc/94/73/30/591947330.db2.gz JJEPBAVOJXZHOJ-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000219739499 592241370 /nfs/dbraw/zinc/24/13/70/592241370.db2.gz WKJOTVVNGGDGPP-HJHHMULASA-N 2 1 216.328 1.980 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886829436 592351347 /nfs/dbraw/zinc/35/13/47/592351347.db2.gz AFSBHTZEDXHHDU-VOAKCMCISA-N 2 1 224.348 1.082 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886828235 592352028 /nfs/dbraw/zinc/35/20/28/592352028.db2.gz ZZIWNHOJTBJRLD-XQQFMLRXSA-N 2 1 224.348 1.084 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832968 592356946 /nfs/dbraw/zinc/35/69/46/592356946.db2.gz QRANYWUFSKQWBS-RDBSUJKOSA-N 2 1 236.359 1.098 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886841715 592363946 /nfs/dbraw/zinc/36/39/46/592363946.db2.gz TVQMDUWZBKQYKD-FDYHWXHSSA-N 2 1 224.348 1.225 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859840 592372783 /nfs/dbraw/zinc/37/27/83/592372783.db2.gz HDGVUBVSASBEGR-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865848 592373991 /nfs/dbraw/zinc/37/39/91/592373991.db2.gz WJDTUESFLMHZHP-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865848 592373995 /nfs/dbraw/zinc/37/39/95/592373995.db2.gz WJDTUESFLMHZHP-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP c1cnn(CC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886872591 592377228 /nfs/dbraw/zinc/37/72/28/592377228.db2.gz WIMJDFOCOZMQDO-AWEZNQCLSA-N 2 1 248.374 1.349 20 0 BDADMP CC[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133076 592448545 /nfs/dbraw/zinc/44/85/45/592448545.db2.gz SSEAZDWVQVJRAU-OCCSQVGLSA-N 2 1 249.358 1.363 20 0 BDADMP COCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130299 592449186 /nfs/dbraw/zinc/44/91/86/592449186.db2.gz BBMVVXDMCFSACK-CYBMUJFWSA-N 2 1 249.358 1.629 20 0 BDADMP COC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132862 592449914 /nfs/dbraw/zinc/44/99/14/592449914.db2.gz OTEFBLZVQZEAIV-QWHCGFSZSA-N 2 1 249.358 1.627 20 0 BDADMP CC(C)CNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000221874908 592454961 /nfs/dbraw/zinc/45/49/61/592454961.db2.gz CCADUENSANNBAW-UHFFFAOYSA-N 2 1 228.384 1.487 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NCC1CC1 ZINC000887348734 592484739 /nfs/dbraw/zinc/48/47/39/592484739.db2.gz UUOHGFVOPOWLSW-LLVKDONJSA-N 2 1 238.379 1.385 20 0 BDADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887351035 592485346 /nfs/dbraw/zinc/48/53/46/592485346.db2.gz DIHADIGWCFCTSF-VIFPVBQESA-N 2 1 248.321 1.097 20 0 BDADMP C[N@@H+](CCCCNC(=[NH2+])NCC1CC1)C1CC1 ZINC000887361720 592490825 /nfs/dbraw/zinc/49/08/25/592490825.db2.gz HPOFXQLCKGPLJQ-UHFFFAOYSA-N 2 1 238.379 1.385 20 0 BDADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887361601 592490831 /nfs/dbraw/zinc/49/08/31/592490831.db2.gz BVNCFKFAFFHBAE-GFCCVEGCSA-N 2 1 238.379 1.242 20 0 BDADMP OCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300414537 592511947 /nfs/dbraw/zinc/51/19/47/592511947.db2.gz LWHDFAATPMXIRW-KGLIPLIRSA-N 2 1 240.391 1.756 20 0 BDADMP CCCC[N@@H+](CCO)C[C@H]([NH3+])CC(F)(F)F ZINC001577454783 993667868 /nfs/dbraw/zinc/66/78/68/993667868.db2.gz OXKAQRZUFLDCEF-SECBINFHSA-N 2 1 242.285 1.361 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC001576959820 993468794 /nfs/dbraw/zinc/46/87/94/993468794.db2.gz ICZVCFXLNXUKLC-KXNHARMFSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)O1 ZINC000925706774 634391531 /nfs/dbraw/zinc/39/15/31/634391531.db2.gz GKDBFGNSJMDBMW-WOPDTQHZSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1(F)F ZINC000925707431 634395831 /nfs/dbraw/zinc/39/58/31/634395831.db2.gz JFKWZVYOEDMPHA-ZJUUUORDSA-N 2 1 230.302 1.906 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925709361 634406982 /nfs/dbraw/zinc/40/69/82/634406982.db2.gz IPUSJOQDIYVWIV-ZIAGYGMSSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925710598 634407383 /nfs/dbraw/zinc/40/73/83/634407383.db2.gz QHLULAHMINSWSZ-MBNYWOFBSA-N 3 1 235.375 1.792 20 0 BDADMP C[C@H](CCC[NH3+])N[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925710598 634407393 /nfs/dbraw/zinc/40/73/93/634407393.db2.gz QHLULAHMINSWSZ-MBNYWOFBSA-N 2 1 235.375 1.792 20 0 BDADMP C[C@@H](CCC[NH3+])N[C@H]1CC[NH2+]C12CCCC2 ZINC000925712925 634416581 /nfs/dbraw/zinc/41/65/81/634416581.db2.gz VZZNEVGAUXXHEK-RYUDHWBXSA-N 2 1 225.380 1.378 20 0 BDADMP N[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])C12CCC2 ZINC000925714180 634420403 /nfs/dbraw/zinc/42/04/03/634420403.db2.gz WJEJSTRKPSSMAN-RYUDHWBXSA-N 2 1 225.380 1.365 20 0 BDADMP COC1CC(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925714755 634433207 /nfs/dbraw/zinc/43/32/07/634433207.db2.gz WCSJRRWVQGGUSU-YWPUVAFDSA-N 2 1 226.364 1.532 20 0 BDADMP C([C@H]1CCOC1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257687934 634461840 /nfs/dbraw/zinc/46/18/40/634461840.db2.gz MSEHDPXMNMKDSJ-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257687934 634461843 /nfs/dbraw/zinc/46/18/43/634461843.db2.gz MSEHDPXMNMKDSJ-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257709466 634477347 /nfs/dbraw/zinc/47/73/47/634477347.db2.gz SKEBXAWYBSXQBM-STQMWFEESA-N 2 1 240.416 1.958 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257709466 634477349 /nfs/dbraw/zinc/47/73/49/634477349.db2.gz SKEBXAWYBSXQBM-STQMWFEESA-N 2 1 240.416 1.958 20 0 BDADMP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1CCCCO1 ZINC000257742502 634488354 /nfs/dbraw/zinc/48/83/54/634488354.db2.gz ZCFAFORKHXNPRR-UONOGXRCSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1CCCCO1 ZINC000257742502 634488368 /nfs/dbraw/zinc/48/83/68/634488368.db2.gz ZCFAFORKHXNPRR-UONOGXRCSA-N 2 1 238.375 1.774 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)C1CC[NH2+]CC1 ZINC000925728257 634527955 /nfs/dbraw/zinc/52/79/55/634527955.db2.gz KFAALEJMKGBONB-WCFLWFBJSA-N 2 1 237.391 1.234 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000398643348 634608167 /nfs/dbraw/zinc/60/81/67/634608167.db2.gz YRASFKVLVIFAAG-RDBSUJKOSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000398643348 634608173 /nfs/dbraw/zinc/60/81/73/634608173.db2.gz YRASFKVLVIFAAG-RDBSUJKOSA-N 2 1 240.391 1.754 20 0 BDADMP CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000220902038 635398258 /nfs/dbraw/zinc/39/82/58/635398258.db2.gz PTYKBYOKEQSSJU-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000236647718 635605188 /nfs/dbraw/zinc/60/51/88/635605188.db2.gz GGQOLNAUHKQCRW-UHFFFAOYSA-N 2 1 241.379 1.055 20 0 BDADMP C[C@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891695998 631451913 /nfs/dbraw/zinc/45/19/13/631451913.db2.gz GZFXVLFEKLEABJ-NSHDSACASA-N 2 1 212.337 1.049 20 0 BDADMP CCC(C)(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309060138 631835783 /nfs/dbraw/zinc/83/57/83/631835783.db2.gz VOMOUVQSPCVZQC-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CCC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309060138 631835786 /nfs/dbraw/zinc/83/57/86/631835786.db2.gz VOMOUVQSPCVZQC-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000235366680 632027417 /nfs/dbraw/zinc/02/74/17/632027417.db2.gz CDCPFULDZKEZAO-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP C[N@@H+](C[C@H]1CCC[C@H]1O)CC1CC[NH+](C)CC1 ZINC000250578378 635700314 /nfs/dbraw/zinc/70/03/14/635700314.db2.gz FRDWKSYMCRMFLQ-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000393791930 635728818 /nfs/dbraw/zinc/72/88/18/635728818.db2.gz ZZPSMZAQNSVCJR-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000393791930 635728824 /nfs/dbraw/zinc/72/88/24/635728824.db2.gz ZZPSMZAQNSVCJR-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000393791930 635728827 /nfs/dbraw/zinc/72/88/27/635728827.db2.gz ZZPSMZAQNSVCJR-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000393791930 635728832 /nfs/dbraw/zinc/72/88/32/635728832.db2.gz ZZPSMZAQNSVCJR-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP COC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252090248 632438513 /nfs/dbraw/zinc/43/85/13/632438513.db2.gz DNBYOIAVILFMKG-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926558579 632525837 /nfs/dbraw/zinc/52/58/37/632525837.db2.gz JMYVUQYYIAFKIH-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000219762505 632566840 /nfs/dbraw/zinc/56/68/40/632566840.db2.gz FXVFGHRGBONARJ-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2cnns2)CC1 ZINC000309731375 632661126 /nfs/dbraw/zinc/66/11/26/632661126.db2.gz FGPQCXWFVQJCKJ-UHFFFAOYSA-N 2 1 240.376 1.360 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000235707255 632818302 /nfs/dbraw/zinc/81/83/02/632818302.db2.gz PCDQAZNZUQFFBE-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000229596462 632979733 /nfs/dbraw/zinc/97/97/33/632979733.db2.gz UBFKHFTWBVBXLD-VHSXEESVSA-N 2 1 235.335 1.095 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)O)C[C@@H]2C1 ZINC000309343215 633899279 /nfs/dbraw/zinc/89/92/79/633899279.db2.gz LOIRKRXQTFNCIF-NEPJUHHUSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)O)C[C@@H]2C1 ZINC000309343215 633899282 /nfs/dbraw/zinc/89/92/82/633899282.db2.gz LOIRKRXQTFNCIF-NEPJUHHUSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)O)C[C@@H]2C1 ZINC000309343215 633899286 /nfs/dbraw/zinc/89/92/86/633899286.db2.gz LOIRKRXQTFNCIF-NEPJUHHUSA-N 2 1 226.364 1.031 20 0 BDADMP Cc1cc(C[N@H+](C)CCC[NH3+])cnc1Cl ZINC000309735771 634000301 /nfs/dbraw/zinc/00/03/01/634000301.db2.gz CIVKUNWWLMMCGY-UHFFFAOYSA-N 2 1 227.739 1.824 20 0 BDADMP Cc1cc(C[N@@H+](C)CCC[NH3+])cnc1Cl ZINC000309735771 634000305 /nfs/dbraw/zinc/00/03/05/634000305.db2.gz CIVKUNWWLMMCGY-UHFFFAOYSA-N 2 1 227.739 1.824 20 0 BDADMP Cc1noc(CCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000925591953 634106610 /nfs/dbraw/zinc/10/66/10/634106610.db2.gz DXCXECPNPYZDQQ-MWLCHTKSSA-N 2 1 238.335 1.041 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCn2ccnc21 ZINC000925607702 634139106 /nfs/dbraw/zinc/13/91/06/634139106.db2.gz REHNNFAESUAVAJ-NEPJUHHUSA-N 2 1 248.374 1.491 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925611125 634151258 /nfs/dbraw/zinc/15/12/58/634151258.db2.gz KLLFSVNVZMWUOO-CHWSQXEVSA-N 2 1 240.391 1.802 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccc1O ZINC000925615657 634159717 /nfs/dbraw/zinc/15/97/17/634159717.db2.gz HHEHGIRMTKRREL-DGCLKSJQSA-N 2 1 234.343 1.665 20 0 BDADMP C1=CO[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925643997 634195579 /nfs/dbraw/zinc/19/55/79/634195579.db2.gz LKEDADVJWTXYEH-NEPJUHHUSA-N 2 1 222.332 1.553 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCC[NH2+][C@@H]1C ZINC000925676491 634265057 /nfs/dbraw/zinc/26/50/57/634265057.db2.gz MQERRNAVSQKQCI-MJBXVCDLSA-N 2 1 241.423 1.837 20 0 BDADMP CC1(C)C[C@@H]([NH2+][C@H]2CCn3ccnc32)C[C@@H]([NH3+])C1 ZINC000925679980 634275839 /nfs/dbraw/zinc/27/58/39/634275839.db2.gz LZIVOBPJOFAGAS-WOPDTQHZSA-N 2 1 248.374 1.824 20 0 BDADMP NCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925689739 634310184 /nfs/dbraw/zinc/31/01/84/634310184.db2.gz IGHKXXIEZNTTDX-GFCCVEGCSA-N 2 1 207.321 1.015 20 0 BDADMP [NH3+]CCC[C@@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000925689739 634310186 /nfs/dbraw/zinc/31/01/86/634310186.db2.gz IGHKXXIEZNTTDX-GFCCVEGCSA-N 3 1 207.321 1.015 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000925691981 634322734 /nfs/dbraw/zinc/32/27/34/634322734.db2.gz NXGSRWIBYKYLNS-JQWIXIFHSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1)[NH2+]2 ZINC000925699261 634366616 /nfs/dbraw/zinc/36/66/16/634366616.db2.gz JRICZIUBGQLBKF-RKQHYHRCSA-N 3 1 237.391 1.247 20 0 BDADMP CC1(C)C[C@@H](N[C@H]2CCC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925700224 634370585 /nfs/dbraw/zinc/37/05/85/634370585.db2.gz NVVFQLCPDCOBOY-AGIUHOORSA-N 2 1 239.407 1.624 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000925700225 634371195 /nfs/dbraw/zinc/37/11/95/634371195.db2.gz NVVFQLCPDCOBOY-FRRDWIJNSA-N 2 1 239.407 1.624 20 0 BDADMP CSCCN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721238 635276584 /nfs/dbraw/zinc/27/65/84/635276584.db2.gz LJRDXZQLEKDIOM-MNOVXSKESA-N 2 1 214.378 1.518 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000925786234 635304235 /nfs/dbraw/zinc/30/42/35/635304235.db2.gz SOWHBEQVIYKJBJ-RAIGVLPGSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925787020 635306807 /nfs/dbraw/zinc/30/68/07/635306807.db2.gz RUYRLKSDFLDBPY-NTZNESFSSA-N 2 1 222.332 1.798 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925204676 636381888 /nfs/dbraw/zinc/38/18/88/636381888.db2.gz NGKWPFKYYDDKDN-WDNDVIMCSA-N 2 1 242.407 1.979 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925204676 636381898 /nfs/dbraw/zinc/38/18/98/636381898.db2.gz NGKWPFKYYDDKDN-WDNDVIMCSA-N 2 1 242.407 1.979 20 0 BDADMP CCn1nccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322815676 636882111 /nfs/dbraw/zinc/88/21/11/636882111.db2.gz AQNQMRSRLJZDLN-YHWZYXNKSA-N 2 1 248.374 1.618 20 0 BDADMP CCO[C@H](C[NH2+]C1CC(C(C)C)C1)C[NH+](C)C ZINC000926963115 636974986 /nfs/dbraw/zinc/97/49/86/636974986.db2.gz SIYFRFKJOXYMSI-JXQTWKCFSA-N 2 1 242.407 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](COC)C(C)C)C[NH+](C)C ZINC000926966052 636976554 /nfs/dbraw/zinc/97/65/54/636976554.db2.gz VNVVHNPRCJYDJR-OLZOCXBDSA-N 2 1 246.395 1.214 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(C)n1 ZINC000924712200 637021263 /nfs/dbraw/zinc/02/12/63/637021263.db2.gz GRZUPIUDWKBEOS-SNVBAGLBSA-N 2 1 248.334 1.061 20 0 BDADMP CSC1CC([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000924717021 637029683 /nfs/dbraw/zinc/02/96/83/637029683.db2.gz KNLNEYNXHXSBLQ-MCIGGMRASA-N 2 1 228.405 1.810 20 0 BDADMP Cc1cccc(C[N@@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000042435708 637247156 /nfs/dbraw/zinc/24/71/56/637247156.db2.gz YGZQYEZJDQZVBU-UHFFFAOYSA-N 2 1 248.370 1.935 20 0 BDADMP Cc1cccc(C[N@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000042435708 637247162 /nfs/dbraw/zinc/24/71/62/637247162.db2.gz YGZQYEZJDQZVBU-UHFFFAOYSA-N 2 1 248.370 1.935 20 0 BDADMP Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000903463865 637364882 /nfs/dbraw/zinc/36/48/82/637364882.db2.gz QHBHXXUVFQGQGM-GDPRMGEGSA-N 2 1 238.335 1.498 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903566383 637370926 /nfs/dbraw/zinc/37/09/26/637370926.db2.gz RNTSZUHWKKTMRR-YPMHNXCESA-N 2 1 234.347 1.167 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903566383 637370928 /nfs/dbraw/zinc/37/09/28/637370928.db2.gz RNTSZUHWKKTMRR-YPMHNXCESA-N 2 1 234.347 1.167 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903566714 637372280 /nfs/dbraw/zinc/37/22/80/637372280.db2.gz ZDCCTLOEBHWWCK-DYEKYZERSA-N 2 1 248.374 1.684 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)C ZINC000903721436 637377574 /nfs/dbraw/zinc/37/75/74/637377574.db2.gz AHPATWDKRAZGMH-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+](CC1CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723018 637378161 /nfs/dbraw/zinc/37/81/61/637378161.db2.gz RYSHRWGNUOZHNC-CHWSQXEVSA-N 2 1 224.348 1.097 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722111 637379153 /nfs/dbraw/zinc/37/91/53/637379153.db2.gz HEUQIPQHDWKWPX-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000903722108 637379328 /nfs/dbraw/zinc/37/93/28/637379328.db2.gz HEUQIPQHDWKWPX-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](CC1CC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722565 637380345 /nfs/dbraw/zinc/38/03/45/637380345.db2.gz MSQUFYCAQYXIOZ-CYBMUJFWSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903788525 637381723 /nfs/dbraw/zinc/38/17/23/637381723.db2.gz NDAUIGLYJGPBAC-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+][C@@H](C[NH2+]C1([C@@H]2CCCCO2)CC1)CC(F)F ZINC000904442107 637410947 /nfs/dbraw/zinc/41/09/47/637410947.db2.gz AHISZPXSNBVNCR-ZJUUUORDSA-N 2 1 248.317 1.660 20 0 BDADMP C[C@@H](C[NH2+]CC1([NH3+])CC1)c1ccccc1 ZINC000904443161 637411235 /nfs/dbraw/zinc/41/12/35/637411235.db2.gz HUYBVYSCHYSMGG-NSHDSACASA-N 2 1 204.317 1.871 20 0 BDADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000904448538 637415033 /nfs/dbraw/zinc/41/50/33/637415033.db2.gz AUJGGGHRRZIYSW-UPHRSURJSA-N 2 1 220.291 1.920 20 0 BDADMP C[C@@]1([NH3+])CCCC[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905324749 637753084 /nfs/dbraw/zinc/75/30/84/637753084.db2.gz QAKKFKTUDVURLJ-LDYMZIIASA-N 2 1 236.319 1.392 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)C1CC1 ZINC000905667953 637876737 /nfs/dbraw/zinc/87/67/37/637876737.db2.gz SNJUCPZBWSMEJJ-IGHBBLSQSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)C1CC1 ZINC000905667953 637876739 /nfs/dbraw/zinc/87/67/39/637876739.db2.gz SNJUCPZBWSMEJJ-IGHBBLSQSA-N 2 1 238.375 1.220 20 0 BDADMP CCn1nc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1C ZINC000906507998 638178576 /nfs/dbraw/zinc/17/85/76/638178576.db2.gz GSJNHEISCIVGKZ-XYPYZODXSA-N 2 1 222.336 1.099 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000906508330 638180405 /nfs/dbraw/zinc/18/04/05/638180405.db2.gz NDOSKXMOEKBQRU-KYZUINATSA-N 2 1 211.696 1.314 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000906510771 638183190 /nfs/dbraw/zinc/18/31/90/638183190.db2.gz WKRMUGUZKQZAGX-UHFFFAOYSA-N 2 1 212.243 1.544 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000906518323 638188325 /nfs/dbraw/zinc/18/83/25/638188325.db2.gz WKRMUGUZKQZAGX-XYPYZODXSA-N 2 1 212.243 1.544 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000712557929 711472915 /nfs/dbraw/zinc/47/29/15/711472915.db2.gz OWGAEQBBDADNTN-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOC3CC3)C2)C1 ZINC000930555792 639811066 /nfs/dbraw/zinc/81/10/66/639811066.db2.gz QJMWTHMEKADJJI-CYBMUJFWSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOC3CC3)C2)C1 ZINC000930555792 639811067 /nfs/dbraw/zinc/81/10/67/639811067.db2.gz QJMWTHMEKADJJI-CYBMUJFWSA-N 2 1 224.348 1.193 20 0 BDADMP CC1CC(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000930903707 639978495 /nfs/dbraw/zinc/97/84/95/639978495.db2.gz OHWQUNPYMGCNEB-JXQTWKCFSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1[C@@H]([NH+](C)C)CCN1C[C@H]1CCC[N@H+]1C ZINC000931036511 640031789 /nfs/dbraw/zinc/03/17/89/640031789.db2.gz GMCXHBYTGXLVLT-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC000931275986 640125220 /nfs/dbraw/zinc/12/52/20/640125220.db2.gz CRIQZGIMRFHUKX-WYUUTHIRSA-N 2 1 244.329 1.914 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC000931275986 640125229 /nfs/dbraw/zinc/12/52/29/640125229.db2.gz CRIQZGIMRFHUKX-WYUUTHIRSA-N 2 1 244.329 1.914 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3CCCO3)C[C@@]2(C)C1 ZINC000931305803 640142543 /nfs/dbraw/zinc/14/25/43/640142543.db2.gz DNKGIWCGHCJSLN-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310987 640145290 /nfs/dbraw/zinc/14/52/90/640145290.db2.gz NEILWTZPHGLHCV-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CN1C[C@]2(C)C[N@@H+](CCCF)C[C@]2(C)C1 ZINC000931311774 640147204 /nfs/dbraw/zinc/14/72/04/640147204.db2.gz STKJEKCBKLCWDA-TXEJJXNPSA-N 2 1 214.328 1.620 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCF)C[C@]2(C)C1 ZINC000931311774 640147209 /nfs/dbraw/zinc/14/72/09/640147209.db2.gz STKJEKCBKLCWDA-TXEJJXNPSA-N 2 1 214.328 1.620 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](CCCF)C[C@]2(C)C1 ZINC000931311774 640147215 /nfs/dbraw/zinc/14/72/15/640147215.db2.gz STKJEKCBKLCWDA-TXEJJXNPSA-N 2 1 214.328 1.620 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC000931428916 640197816 /nfs/dbraw/zinc/19/78/16/640197816.db2.gz CDGOYOVWFMVFHU-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC000931428916 640197817 /nfs/dbraw/zinc/19/78/17/640197817.db2.gz CDGOYOVWFMVFHU-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC000931428916 640197822 /nfs/dbraw/zinc/19/78/22/640197822.db2.gz CDGOYOVWFMVFHU-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1nocc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931435435 640203340 /nfs/dbraw/zinc/20/33/40/640203340.db2.gz BAUAXJKXGICTID-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1nocc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931435435 640203343 /nfs/dbraw/zinc/20/33/43/640203343.db2.gz BAUAXJKXGICTID-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435435 640203348 /nfs/dbraw/zinc/20/33/48/640203348.db2.gz BAUAXJKXGICTID-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435435 640203353 /nfs/dbraw/zinc/20/33/53/640203353.db2.gz BAUAXJKXGICTID-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP CC[C@H](C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000931441252 640208829 /nfs/dbraw/zinc/20/88/29/640208829.db2.gz FTVLPHDIQFHAAJ-YNEHKIRRSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)OC ZINC000931441252 640208833 /nfs/dbraw/zinc/20/88/33/640208833.db2.gz FTVLPHDIQFHAAJ-YNEHKIRRSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)OC ZINC000931441252 640208841 /nfs/dbraw/zinc/20/88/41/640208841.db2.gz FTVLPHDIQFHAAJ-YNEHKIRRSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931507764 640240143 /nfs/dbraw/zinc/24/01/43/640240143.db2.gz CCVNQSDQFVEZML-UHFFFAOYSA-N 2 1 205.305 1.678 20 0 BDADMP CC(C)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931507764 640240148 /nfs/dbraw/zinc/24/01/48/640240148.db2.gz CCVNQSDQFVEZML-UHFFFAOYSA-N 2 1 205.305 1.678 20 0 BDADMP CC[C@@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519459 640250505 /nfs/dbraw/zinc/25/05/05/640250505.db2.gz UIZLKRKNGKFANG-SECBINFHSA-N 2 1 205.305 1.820 20 0 BDADMP CC[C@@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519459 640250509 /nfs/dbraw/zinc/25/05/09/640250509.db2.gz UIZLKRKNGKFANG-SECBINFHSA-N 2 1 205.305 1.820 20 0 BDADMP CC(C)CN1CC[NH+](CCCCCC[NH3+])CC1 ZINC000055083693 640433867 /nfs/dbraw/zinc/43/38/67/640433867.db2.gz BGEMFJZLUTVAGA-UHFFFAOYSA-N 2 1 241.423 1.779 20 0 BDADMP C[N@@H+](Cc1cncs1)C1CCC([NH3+])CC1 ZINC000166665580 640662870 /nfs/dbraw/zinc/66/28/70/640662870.db2.gz IFHKWNBWLSPHFZ-UHFFFAOYSA-N 2 1 225.361 1.845 20 0 BDADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1cccc(=O)[nH]1 ZINC000933398912 640713341 /nfs/dbraw/zinc/71/33/41/640713341.db2.gz NYTGBZHTDGEYKP-ZDUSSCGKSA-N 2 1 249.358 1.703 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccncc3)C[C@]2(C)C1 ZINC000933731604 640752306 /nfs/dbraw/zinc/75/23/06/640752306.db2.gz DFDDKBLONFGBOK-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccncc3)C[C@]2(C)C1 ZINC000933731604 640752311 /nfs/dbraw/zinc/75/23/11/640752311.db2.gz DFDDKBLONFGBOK-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccncc3)C[C@]2(C)C1 ZINC000933731604 640752315 /nfs/dbraw/zinc/75/23/15/640752315.db2.gz DFDDKBLONFGBOK-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)O1 ZINC000933731846 640754548 /nfs/dbraw/zinc/75/45/48/640754548.db2.gz ILOLHMPFQCTRCF-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCCCCO ZINC000226431524 640764059 /nfs/dbraw/zinc/76/40/59/640764059.db2.gz UBDIPRMUXWILLS-CYBMUJFWSA-N 2 1 230.396 1.844 20 0 BDADMP CC[N@@H+](CCc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000226439464 640765925 /nfs/dbraw/zinc/76/59/25/640765925.db2.gz KAJQTKWVTWDPCL-CQSZACIVSA-N 2 1 247.386 1.946 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(C[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000227337193 640829112 /nfs/dbraw/zinc/82/91/12/640829112.db2.gz CBTMESAILZACTP-MELADBBJSA-N 2 1 237.391 1.155 20 0 BDADMP CSCC(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000934670322 641242630 /nfs/dbraw/zinc/24/26/30/641242630.db2.gz MZKYQJHQYOVLON-NSHDSACASA-N 2 1 246.420 1.173 20 0 BDADMP CSCC(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000934670322 641242639 /nfs/dbraw/zinc/24/26/39/641242639.db2.gz MZKYQJHQYOVLON-NSHDSACASA-N 2 1 246.420 1.173 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000075150849 641747351 /nfs/dbraw/zinc/74/73/51/641747351.db2.gz ASAPAGRLRBCUNK-NSHDSACASA-N 2 1 222.307 1.996 20 0 BDADMP C[N@@H+]1CCO[C@H](CSCC[NH+]2CCCC2)C1 ZINC000917909285 642138998 /nfs/dbraw/zinc/13/89/98/642138998.db2.gz JLEVZRPDEUBNIB-LBPRGKRZSA-N 2 1 244.404 1.146 20 0 BDADMP C[N@H+]1CCO[C@H](CSCC[NH+]2CCCC2)C1 ZINC000917909285 642139005 /nfs/dbraw/zinc/13/90/05/642139005.db2.gz JLEVZRPDEUBNIB-LBPRGKRZSA-N 2 1 244.404 1.146 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000097929576 642642343 /nfs/dbraw/zinc/64/23/43/642642343.db2.gz ZHMHYZOMGABNEW-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@H](C)S1 ZINC000069909092 642933473 /nfs/dbraw/zinc/93/34/73/642933473.db2.gz NIIIGSBFCMBYNK-PHIMTYICSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@H](C)S1 ZINC000069909092 642933479 /nfs/dbraw/zinc/93/34/79/642933479.db2.gz NIIIGSBFCMBYNK-PHIMTYICSA-N 2 1 228.405 1.954 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2nonc2C)CC1 ZINC000070269672 643007864 /nfs/dbraw/zinc/00/78/64/643007864.db2.gz PXBFTZZWWYEGGC-UHFFFAOYSA-N 2 1 238.335 1.200 20 0 BDADMP CCCCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070916430 643082402 /nfs/dbraw/zinc/08/24/02/643082402.db2.gz OMQSHWQIZITYAJ-UHFFFAOYSA-N 2 1 227.396 1.404 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083525974 643583686 /nfs/dbraw/zinc/58/36/86/643583686.db2.gz UFCQMJACQQTLNM-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014653 643679150 /nfs/dbraw/zinc/67/91/50/643679150.db2.gz QPKTVNKLBDJKPF-YPMHNXCESA-N 2 1 219.332 1.641 20 0 BDADMP C[C@H]1CSCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085016062 643681164 /nfs/dbraw/zinc/68/11/64/643681164.db2.gz ZQNWILQGGKNDCP-AXFHLTTASA-N 2 1 214.378 1.551 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ncccc2C)CC[C@@H]1[NH3+] ZINC000166344758 643812496 /nfs/dbraw/zinc/81/24/96/643812496.db2.gz PTVHWHHWDKVNTI-STQMWFEESA-N 2 1 233.359 1.949 20 0 BDADMP C[N@@H+](C/C=C/Cl)C1CCC([NH3+])CC1 ZINC000085869941 643824769 /nfs/dbraw/zinc/82/47/69/643824769.db2.gz RAUNPALCOBHGGX-FARCUNLSSA-N 2 1 202.729 1.941 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922283635 643952632 /nfs/dbraw/zinc/95/26/32/643952632.db2.gz FUFHUTUTUJIRAJ-ZDUSSCGKSA-N 2 1 249.358 1.609 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@@H]1CC=CCC1)C[NH+](C)C ZINC000922761310 644085251 /nfs/dbraw/zinc/08/52/51/644085251.db2.gz QUJWAFNVTLBVSY-KGLIPLIRSA-N 2 1 240.391 1.899 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@]2(C)CCCCO2)CC1 ZINC000922818069 644107299 /nfs/dbraw/zinc/10/72/99/644107299.db2.gz UDOOUYIYGHAZBQ-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP Clc1c[nH+]ccc1NC[C@H]1CCC[NH2+]1 ZINC000086839809 644185934 /nfs/dbraw/zinc/18/59/34/644185934.db2.gz IAZSMBVPLODLGG-MRVPVSSYSA-N 2 1 211.696 1.899 20 0 BDADMP C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000923279357 644312047 /nfs/dbraw/zinc/31/20/47/644312047.db2.gz MCURNAZYZFWLLJ-OAHLLOKOSA-N 2 1 248.370 1.274 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282418 644315678 /nfs/dbraw/zinc/31/56/78/644315678.db2.gz VVFUGGRFYZOBGS-CHWSQXEVSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@H]([NH3+])C1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923284833 644317854 /nfs/dbraw/zinc/31/78/54/644317854.db2.gz VOAYRNUMCYONSG-NSHDSACASA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923282963 644318141 /nfs/dbraw/zinc/31/81/41/644318141.db2.gz ZFUAMTPPLGZIGJ-PBNFFQIGSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]([NH3+])C1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923284832 644318542 /nfs/dbraw/zinc/31/85/42/644318542.db2.gz VOAYRNUMCYONSG-LLVKDONJSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH2+]CC1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923289999 644322742 /nfs/dbraw/zinc/32/27/42/644322742.db2.gz LAUZTQGXFQPZFL-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300083 644326959 /nfs/dbraw/zinc/32/69/59/644326959.db2.gz NQXBTPRJXNFACZ-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299954 644327009 /nfs/dbraw/zinc/32/70/09/644327009.db2.gz KDELNESDAJMFBM-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923292740 644328131 /nfs/dbraw/zinc/32/81/31/644328131.db2.gz KXNRCIJGPKILSY-QWHCGFSZSA-N 2 1 228.380 1.741 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923292740 644328136 /nfs/dbraw/zinc/32/81/36/644328136.db2.gz KXNRCIJGPKILSY-QWHCGFSZSA-N 2 1 228.380 1.741 20 0 BDADMP CCC[N@@H+](CC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300294 644329277 /nfs/dbraw/zinc/32/92/77/644329277.db2.gz QNBGCWXPVKCUGO-CYBMUJFWSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298343 644336893 /nfs/dbraw/zinc/33/68/93/644336893.db2.gz AQFYZJVLHJWGDK-AWEZNQCLSA-N 2 1 246.354 1.497 20 0 BDADMP CC(C)C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923313577 644342389 /nfs/dbraw/zinc/34/23/89/644342389.db2.gz WIKWDLJDVBFREB-VOAKCMCISA-N 2 1 226.364 1.205 20 0 BDADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC2(CCC2)C1 ZINC000923315305 644343010 /nfs/dbraw/zinc/34/30/10/644343010.db2.gz GLXITOPZWNBTFG-GFCCVEGCSA-N 2 1 236.359 1.241 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCc3ccccc3C2)C1 ZINC000923311575 644345859 /nfs/dbraw/zinc/34/58/59/644345859.db2.gz PEBJYMKHUVAQDE-KKUMJFAQSA-N 2 1 246.354 1.285 20 0 BDADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc[nH]n1 ZINC000923322440 644352410 /nfs/dbraw/zinc/35/24/10/644352410.db2.gz LIWMPLOBZKEBCX-YHWZYXNKSA-N 2 1 248.374 1.762 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333863 644355123 /nfs/dbraw/zinc/35/51/23/644355123.db2.gz YMHSPJZXRXWRQT-RDBSUJKOSA-N 2 1 242.407 1.987 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356604 644371211 /nfs/dbraw/zinc/37/12/11/644371211.db2.gz SZDUJFXUAQYPSM-ZDUSSCGKSA-N 2 1 237.347 1.716 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356604 644371219 /nfs/dbraw/zinc/37/12/19/644371219.db2.gz SZDUJFXUAQYPSM-ZDUSSCGKSA-N 2 1 237.347 1.716 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356029 644371454 /nfs/dbraw/zinc/37/14/54/644371454.db2.gz DOKVYUVQZUFFHL-ZIAGYGMSSA-N 2 1 242.407 1.987 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356029 644371459 /nfs/dbraw/zinc/37/14/59/644371459.db2.gz DOKVYUVQZUFFHL-ZIAGYGMSSA-N 2 1 242.407 1.987 20 0 BDADMP CCOCCOCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923368383 644381813 /nfs/dbraw/zinc/38/18/13/644381813.db2.gz BLYHUBLAQXVJQS-YNEHKIRRSA-N 2 1 244.379 1.016 20 0 BDADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC([NH3+])C1 ZINC000923360735 644386904 /nfs/dbraw/zinc/38/69/04/644386904.db2.gz FDSZXVKCJSMJHP-LJZITESISA-N 3 1 237.391 1.329 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363143 644388183 /nfs/dbraw/zinc/38/81/83/644388183.db2.gz VIMJZSKCPQZKTR-XQQFMLRXSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923373353 644388941 /nfs/dbraw/zinc/38/89/41/644388941.db2.gz MXHPYMONWYVEEY-YNEHKIRRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923387254 644398355 /nfs/dbraw/zinc/39/83/55/644398355.db2.gz CFQUHOJBGAPJHY-YPMHNXCESA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H](C)C1 ZINC000923387646 644399105 /nfs/dbraw/zinc/39/91/05/644399105.db2.gz YCZHJRPKBMJVHU-UPJWGTAASA-N 2 1 238.375 1.485 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923409926 644411832 /nfs/dbraw/zinc/41/18/32/644411832.db2.gz CMDRKZOVJRQHRE-RDBSUJKOSA-N 2 1 242.407 1.844 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000923412590 644415185 /nfs/dbraw/zinc/41/51/85/644415185.db2.gz RJFHNACUHCHJHG-YPMHNXCESA-N 2 1 236.334 1.895 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000923412589 644415283 /nfs/dbraw/zinc/41/52/83/644415283.db2.gz RJFHNACUHCHJHG-WCQYABFASA-N 2 1 236.334 1.895 20 0 BDADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](CCO)C1)C1CCCC1 ZINC000923428716 644422717 /nfs/dbraw/zinc/42/27/17/644422717.db2.gz YVEFIIVHZLFMCJ-TZMCWYRMSA-N 2 1 240.391 1.598 20 0 BDADMP [NH3+]C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000084565836 644428677 /nfs/dbraw/zinc/42/86/77/644428677.db2.gz BAYLUVAKAZTKMP-UHFFFAOYSA-N 2 1 246.354 1.935 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016301 644436485 /nfs/dbraw/zinc/43/64/85/644436485.db2.gz UYSJEDZYCBRQAB-FRRDWIJNSA-N 2 1 225.380 1.140 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CCCO1 ZINC000923457265 644438141 /nfs/dbraw/zinc/43/81/41/644438141.db2.gz YBVDXOYYIPJSAR-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CCCO1 ZINC000923457265 644438148 /nfs/dbraw/zinc/43/81/48/644438148.db2.gz YBVDXOYYIPJSAR-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+](C[C@H](O)C(F)(F)F)C1CCC([NH3+])CC1 ZINC000085869829 644452084 /nfs/dbraw/zinc/45/20/84/644452084.db2.gz LACVKCVIWRJREY-HACHORDNSA-N 2 1 240.269 1.111 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000923480416 644458639 /nfs/dbraw/zinc/45/86/39/644458639.db2.gz YCODKYOBUKBWMR-JHJVBQTASA-N 2 1 224.348 1.084 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000923481199 644458691 /nfs/dbraw/zinc/45/86/91/644458691.db2.gz GWGINHIBTTZABI-LLVKDONJSA-N 2 1 249.358 1.724 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000923481941 644458975 /nfs/dbraw/zinc/45/89/75/644458975.db2.gz VNQBTWVLWGRQQC-SNVBAGLBSA-N 2 1 235.331 1.723 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000923495539 644463265 /nfs/dbraw/zinc/46/32/65/644463265.db2.gz BZFJDAHFQANYCJ-QWHCGFSZSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923490502 644465570 /nfs/dbraw/zinc/46/55/70/644465570.db2.gz NYRWGTZHCLTXRK-JOYOIKCWSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1csc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086403413 644466404 /nfs/dbraw/zinc/46/64/04/644466404.db2.gz XMLNTMFRJVPMPL-UWVGGRQHSA-N 2 1 225.361 1.811 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491479 644468451 /nfs/dbraw/zinc/46/84/51/644468451.db2.gz IDGVBIWFGGRMNQ-RDBSUJKOSA-N 2 1 242.407 1.700 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496907 644469558 /nfs/dbraw/zinc/46/95/58/644469558.db2.gz KEYGXZMTUHTESP-SRVKXCTJSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493717 644470919 /nfs/dbraw/zinc/47/09/19/644470919.db2.gz UMCLZBBCHLTLFW-MNOVXSKESA-N 2 1 222.336 1.135 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493717 644470923 /nfs/dbraw/zinc/47/09/23/644470923.db2.gz UMCLZBBCHLTLFW-MNOVXSKESA-N 2 1 222.336 1.135 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923493551 644471379 /nfs/dbraw/zinc/47/13/79/644471379.db2.gz ILILARGFBSHSQG-DLOVCJGASA-N 2 1 237.347 1.961 20 0 BDADMP CCc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923499453 644471989 /nfs/dbraw/zinc/47/19/89/644471989.db2.gz KXOPQQIMSMXOOE-WDEREUQCSA-N 2 1 237.347 1.654 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923500254 644472406 /nfs/dbraw/zinc/47/24/06/644472406.db2.gz MWNHBKZQTJTHKP-GXTWGEPZSA-N 2 1 233.359 1.541 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccs2)CC[C@@H]1C[NH3+] ZINC000923499856 644472672 /nfs/dbraw/zinc/47/26/72/644472672.db2.gz MNVSBTQMRLYCKX-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)oc1C ZINC000923497335 644474178 /nfs/dbraw/zinc/47/41/78/644474178.db2.gz DPKAQBSNTURWLZ-SKDRFNHKSA-N 2 1 237.347 1.708 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccno2)CC[C@H]1C[NH3+] ZINC000923501131 644474894 /nfs/dbraw/zinc/47/48/94/644474894.db2.gz ZDQSVUILPYRTMD-ZJUUUORDSA-N 2 1 209.293 1.091 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(N)c2)CC[C@@H]1C[NH3+] ZINC000923501324 644476081 /nfs/dbraw/zinc/47/60/81/644476081.db2.gz QLIGTBIVCBLFOH-DGCLKSJQSA-N 2 1 233.359 1.686 20 0 BDADMP CCSCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500923 644476444 /nfs/dbraw/zinc/47/64/44/644476444.db2.gz RXVCPKWUQUUORN-WDEREUQCSA-N 2 1 216.394 1.656 20 0 BDADMP [NH3+]CC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549226 644495411 /nfs/dbraw/zinc/49/54/11/644495411.db2.gz GLTJZVWEAVMMTC-GFCCVEGCSA-N 2 1 212.337 1.084 20 0 BDADMP [NH3+]CC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549226 644495413 /nfs/dbraw/zinc/49/54/13/644495413.db2.gz GLTJZVWEAVMMTC-GFCCVEGCSA-N 2 1 212.337 1.084 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923550476 644498485 /nfs/dbraw/zinc/49/84/85/644498485.db2.gz YCVGOXWEWWWFMA-CYBMUJFWSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000923555906 644501779 /nfs/dbraw/zinc/50/17/79/644501779.db2.gz YEZAYUMTGCSFOP-MNOVXSKESA-N 2 1 235.331 1.075 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000923555906 644501784 /nfs/dbraw/zinc/50/17/84/644501784.db2.gz YEZAYUMTGCSFOP-MNOVXSKESA-N 2 1 235.331 1.075 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)CC[NH2+]C(C)(C)C ZINC000092627553 644663949 /nfs/dbraw/zinc/66/39/49/644663949.db2.gz MXUPCKRRXZDVED-ZDUSSCGKSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](C)C1 ZINC000251165650 644795900 /nfs/dbraw/zinc/79/59/00/644795900.db2.gz CZBHCOBYFQXUSM-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C)C1 ZINC000251165650 644795904 /nfs/dbraw/zinc/79/59/04/644795904.db2.gz CZBHCOBYFQXUSM-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1N(C)C ZINC000251847162 644826848 /nfs/dbraw/zinc/82/68/48/644826848.db2.gz RBFYVLGVORSIME-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140430 644885948 /nfs/dbraw/zinc/88/59/48/644885948.db2.gz NJCHDMBXKWQWLR-RDBSUJKOSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@@H](CN2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140430 644885952 /nfs/dbraw/zinc/88/59/52/644885952.db2.gz NJCHDMBXKWQWLR-RDBSUJKOSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]CCC(C)(C)[NH3+])CC1 ZINC000304581967 644913877 /nfs/dbraw/zinc/91/38/77/644913877.db2.gz JWKKOPZRGSHXDW-UHFFFAOYSA-N 3 1 227.396 1.576 20 0 BDADMP FCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388572 645288218 /nfs/dbraw/zinc/28/82/18/645288218.db2.gz RZJYODKVCHNQSH-WDEREUQCSA-N 2 1 200.301 1.277 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CCOC(F)F)CC[NH2+]CC2 ZINC000852753099 645488818 /nfs/dbraw/zinc/48/88/18/645488818.db2.gz XEWGXSFZWXEGEJ-SNVBAGLBSA-N 2 1 248.317 1.690 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925494021 645726968 /nfs/dbraw/zinc/72/69/68/645726968.db2.gz NHLUXYQMENSXIO-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP CC(C)C(C(C)C)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000924990637 646152300 /nfs/dbraw/zinc/15/23/00/646152300.db2.gz JCVGLOLQXCYQHR-STQMWFEESA-N 2 1 244.423 1.815 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)CO ZINC000925143578 646193255 /nfs/dbraw/zinc/19/32/55/646193255.db2.gz QWLSSBKLLNMXER-UTUOFQBUSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)CO ZINC000925143578 646193264 /nfs/dbraw/zinc/19/32/64/646193264.db2.gz QWLSSBKLLNMXER-UTUOFQBUSA-N 2 1 228.380 1.466 20 0 BDADMP CC1(C)C[C@@H]1C[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925393194 646260081 /nfs/dbraw/zinc/26/00/81/646260081.db2.gz NQAVMOIVFXHIHV-QJPTWQEYSA-N 2 1 208.349 1.716 20 0 BDADMP CC1(C)C[C@@H]1C[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925393194 646260088 /nfs/dbraw/zinc/26/00/88/646260088.db2.gz NQAVMOIVFXHIHV-QJPTWQEYSA-N 2 1 208.349 1.716 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925483667 646294974 /nfs/dbraw/zinc/29/49/74/646294974.db2.gz WYYUHDBVYXQSMB-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925483669 646295734 /nfs/dbraw/zinc/29/57/34/646295734.db2.gz WYYUHDBVYXQSMB-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP c1cn(CCCCN[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000925495638 646302344 /nfs/dbraw/zinc/30/23/44/646302344.db2.gz QPJSUQGWHAKGDZ-ZDUSSCGKSA-N 3 1 248.374 1.538 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CC2)C[C@@H]1C ZINC000929783031 646307218 /nfs/dbraw/zinc/30/72/18/646307218.db2.gz YHRRUZBNEYEBEK-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CC2)C[C@@H]1C ZINC000929783031 646307221 /nfs/dbraw/zinc/30/72/21/646307221.db2.gz YHRRUZBNEYEBEK-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CC2)C[C@@H]1C ZINC000929783031 646307223 /nfs/dbraw/zinc/30/72/23/646307223.db2.gz YHRRUZBNEYEBEK-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1[nH+]ccn1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925533442 646319684 /nfs/dbraw/zinc/31/96/84/646319684.db2.gz BHTPZGTZAOWHSU-CYBMUJFWSA-N 2 1 248.374 1.456 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C(/C)COC)C1 ZINC000929790774 646320401 /nfs/dbraw/zinc/32/04/01/646320401.db2.gz MTCSSCYRNZXEQP-CNTYAEFGSA-N 2 1 240.391 1.853 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C(/C)COC)C1 ZINC000929790774 646320408 /nfs/dbraw/zinc/32/04/08/646320408.db2.gz MTCSSCYRNZXEQP-CNTYAEFGSA-N 2 1 240.391 1.853 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C(/C)COC)C1 ZINC000929790774 646320415 /nfs/dbraw/zinc/32/04/15/646320415.db2.gz MTCSSCYRNZXEQP-CNTYAEFGSA-N 2 1 240.391 1.853 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C(/C)COC)C1 ZINC000929790774 646320419 /nfs/dbraw/zinc/32/04/19/646320419.db2.gz MTCSSCYRNZXEQP-CNTYAEFGSA-N 2 1 240.391 1.853 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925548492 646326979 /nfs/dbraw/zinc/32/69/79/646326979.db2.gz CITWUOKPZTVIDN-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925557292 646334133 /nfs/dbraw/zinc/33/41/33/646334133.db2.gz NNRGJZMCIRLZDF-QWHCGFSZSA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)N(C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925557292 646334138 /nfs/dbraw/zinc/33/41/38/646334138.db2.gz NNRGJZMCIRLZDF-QWHCGFSZSA-N 2 1 241.423 1.822 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925562142 646335152 /nfs/dbraw/zinc/33/51/52/646335152.db2.gz VIEJQODAFLSXBA-RYUDHWBXSA-N 2 1 226.364 1.412 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000925576273 646341263 /nfs/dbraw/zinc/34/12/63/646341263.db2.gz WXNIJDVDECIVCW-CYBMUJFWSA-N 2 1 233.359 1.663 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925582020 646344448 /nfs/dbraw/zinc/34/44/48/646344448.db2.gz VSZYEBVDQOUOBL-QWRGUYRKSA-N 2 1 214.353 1.268 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000925580023 646345459 /nfs/dbraw/zinc/34/54/59/646345459.db2.gz QAQVGTZMOXICNM-LBPRGKRZSA-N 2 1 240.391 1.659 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925605117 646355839 /nfs/dbraw/zinc/35/58/39/646355839.db2.gz BXBHCDXITDJKMZ-GFCCVEGCSA-N 2 1 227.396 1.447 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000925615159 646362270 /nfs/dbraw/zinc/36/22/70/646362270.db2.gz MVSKREZCSRWKQQ-LBPRGKRZSA-N 2 1 219.332 1.354 20 0 BDADMP CCC1(O)CCC([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925617546 646364190 /nfs/dbraw/zinc/36/41/90/646364190.db2.gz XAUIPKJSCQUPJQ-RJZJGCCBSA-N 2 1 240.391 1.800 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000925619020 646367992 /nfs/dbraw/zinc/36/79/92/646367992.db2.gz ZJXBJPCQQUTQLM-NSHDSACASA-N 2 1 226.364 1.412 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCO1 ZINC000925627720 646374437 /nfs/dbraw/zinc/37/44/37/646374437.db2.gz ZPQUVYOBTFZDCM-XQQFMLRXSA-N 2 1 238.375 1.818 20 0 BDADMP c1cn2c([nH+]1)C[C@@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925644750 646384394 /nfs/dbraw/zinc/38/43/94/646384394.db2.gz NJPOOYWSZSTQRK-RYUDHWBXSA-N 2 1 246.358 1.072 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925649575 646389326 /nfs/dbraw/zinc/38/93/26/646389326.db2.gz LLNFIRLDOQGKPY-RYUDHWBXSA-N 2 1 228.380 1.658 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1nccs1 ZINC000925647864 646390083 /nfs/dbraw/zinc/39/00/83/646390083.db2.gz JLSKLXLWHNNWKE-VHSXEESVSA-N 2 1 239.388 1.977 20 0 BDADMP OCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925648230 646390554 /nfs/dbraw/zinc/39/05/54/646390554.db2.gz RIVQNSRTFWZFBX-LLVKDONJSA-N 2 1 224.348 1.023 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925690361 646411403 /nfs/dbraw/zinc/41/14/03/646411403.db2.gz JEOVMVQTQLFPCR-GHMZBOCLSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000925686696 646413185 /nfs/dbraw/zinc/41/31/85/646413185.db2.gz XRKQTUCGAPEUCV-CHWSQXEVSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1NCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000925686505 646413528 /nfs/dbraw/zinc/41/35/28/646413528.db2.gz VPTDVHTUQYKRNA-GXTWGEPZSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000925686505 646413531 /nfs/dbraw/zinc/41/35/31/646413531.db2.gz VPTDVHTUQYKRNA-GXTWGEPZSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000925686505 646413535 /nfs/dbraw/zinc/41/35/35/646413535.db2.gz VPTDVHTUQYKRNA-GXTWGEPZSA-N 3 1 239.407 1.591 20 0 BDADMP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925695435 646421194 /nfs/dbraw/zinc/42/11/94/646421194.db2.gz WVEMVURUKYEMTB-TUAOUCFPSA-N 2 1 224.348 1.022 20 0 BDADMP [NH3+]CCC[C@H](NCC1C[NH2+]C1)c1ccccc1 ZINC000925701130 646425255 /nfs/dbraw/zinc/42/52/55/646425255.db2.gz ZPYIKANATPKHSJ-AWEZNQCLSA-N 2 1 233.359 1.276 20 0 BDADMP C1CC12C[C@H]2[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925705578 646430942 /nfs/dbraw/zinc/43/09/42/646430942.db2.gz LBPIRFXESVATCR-WDEREUQCSA-N 2 1 206.333 1.803 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCC2 ZINC000925705482 646431058 /nfs/dbraw/zinc/43/10/58/646431058.db2.gz JJVBZGPVXIEXKD-QWHCGFSZSA-N 2 1 235.375 1.156 20 0 BDADMP FCCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925715173 646440755 /nfs/dbraw/zinc/44/07/55/646440755.db2.gz ACOPHBUDCSOIGZ-LLVKDONJSA-N 2 1 230.327 1.237 20 0 BDADMP FCCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925715174 646440932 /nfs/dbraw/zinc/44/09/32/646440932.db2.gz ACOPHBUDCSOIGZ-NSHDSACASA-N 2 1 230.327 1.237 20 0 BDADMP C[C@H](N[C@@H]1CC[NH2+]C1(C)C)C1CC[NH2+]CC1 ZINC000925727047 646451453 /nfs/dbraw/zinc/45/14/53/646451453.db2.gz CBEPKXSQUYYCQR-CMPLNLGQSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729238 646453553 /nfs/dbraw/zinc/45/35/53/646453553.db2.gz ZHEBSTXFQFSEGY-VTPLQMEGSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@H]([NH3+])[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729238 646453562 /nfs/dbraw/zinc/45/35/62/646453562.db2.gz ZHEBSTXFQFSEGY-VTPLQMEGSA-N 2 1 233.359 1.402 20 0 BDADMP CC1(C)CO[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925729626 646454787 /nfs/dbraw/zinc/45/47/87/646454787.db2.gz KVHCVQBWNHRAGH-GHMZBOCLSA-N 2 1 226.364 1.532 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccns1 ZINC000925733993 646457759 /nfs/dbraw/zinc/45/77/59/646457759.db2.gz YWZHQJJPFITVBO-NXEZZACHSA-N 2 1 211.334 1.155 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000925733530 646458511 /nfs/dbraw/zinc/45/85/11/646458511.db2.gz WQLQSIVJRSPQTN-RYUDHWBXSA-N 2 1 240.391 1.922 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])nn1C ZINC000925739528 646461990 /nfs/dbraw/zinc/46/19/90/646461990.db2.gz YCUKXWMVIWPABV-SNVBAGLBSA-N 2 1 224.352 1.507 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1nccn1C ZINC000925740787 646462629 /nfs/dbraw/zinc/46/26/29/646462629.db2.gz LLACYZXZRDJDSS-SECBINFHSA-N 2 1 210.325 1.198 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@@H]1CCC[NH2+]1 ZINC000925772502 646471450 /nfs/dbraw/zinc/47/14/50/646471450.db2.gz IGHZIUCQIJMMHY-RQJABVFESA-N 2 1 238.375 1.818 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774941 646473645 /nfs/dbraw/zinc/47/36/45/646473645.db2.gz YDXDHTBKOJWBQJ-CMPLNLGQSA-N 2 1 235.331 1.769 20 0 BDADMP C[C@@H]([NH2+]Cc1nccc2c1CCCC2)C1C[NH2+]C1 ZINC000925806400 646488347 /nfs/dbraw/zinc/48/83/47/646488347.db2.gz PMGGCYYBSBMJNE-LLVKDONJSA-N 2 1 245.370 1.658 20 0 BDADMP C[C@H]([NH2+]Cc1nccc2c1CCCC2)C1C[NH2+]C1 ZINC000925806401 646489178 /nfs/dbraw/zinc/48/91/78/646489178.db2.gz PMGGCYYBSBMJNE-NSHDSACASA-N 2 1 245.370 1.658 20 0 BDADMP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])ccc2O1 ZINC000925829294 646499061 /nfs/dbraw/zinc/49/90/61/646499061.db2.gz AUYAYHIXWVEFGL-DDTOSNHZSA-N 2 1 246.354 1.979 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832844 646501640 /nfs/dbraw/zinc/50/16/40/646501640.db2.gz QDHSHTCGZVIANV-QEYWKRMJSA-N 2 1 236.281 1.915 20 0 BDADMP Cc1cc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)nn1C ZINC000925835610 646503465 /nfs/dbraw/zinc/50/34/65/646503465.db2.gz URZSLYGNAZJXCI-WCQYABFASA-N 2 1 236.363 1.001 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000925853973 646511275 /nfs/dbraw/zinc/51/12/75/646511275.db2.gz DCZYVPFRNBHNNV-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000925853968 646511382 /nfs/dbraw/zinc/51/13/82/646511382.db2.gz DCZYVPFRNBHNNV-QJPTWQEYSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCS1 ZINC000925862263 646514769 /nfs/dbraw/zinc/51/47/69/646514769.db2.gz ZIDQWSIVVADDMC-IRCOFANPSA-N 2 1 228.405 1.858 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879415 646528972 /nfs/dbraw/zinc/52/89/72/646528972.db2.gz DLDRNCCOOGWOBU-MYZSUADSSA-N 3 1 247.386 1.792 20 0 BDADMP Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723889978 711544203 /nfs/dbraw/zinc/54/42/03/711544203.db2.gz CHFPULBWVAKWIW-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000925548888 711700107 /nfs/dbraw/zinc/70/01/07/711700107.db2.gz JIOHORKUSOPPPB-MWLCHTKSSA-N 2 1 222.336 1.405 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000721965237 711845248 /nfs/dbraw/zinc/84/52/48/711845248.db2.gz YSLBHDNDSHAISQ-KGLIPLIRSA-N 2 1 242.407 1.966 20 0 BDADMP COC1CC(C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000703299712 712071463 /nfs/dbraw/zinc/07/14/63/712071463.db2.gz BCONADNOVOUYDR-UHFFFAOYSA-N 2 1 226.364 1.613 20 0 BDADMP COCC1([N@@H+](C)C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000706814922 712156422 /nfs/dbraw/zinc/15/64/22/712156422.db2.gz KGTZMMITZTVCIP-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CC1([NH3+])CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000707658394 712175952 /nfs/dbraw/zinc/17/59/52/712175952.db2.gz LFQBGVYABRGOBL-MRVPVSSYSA-N 2 1 240.269 1.113 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCF)C[C@H]1C(F)(F)F ZINC000709795147 712227649 /nfs/dbraw/zinc/22/76/49/712227649.db2.gz PMKWGCKTUJOKQS-HTQZYQBOSA-N 2 1 228.233 1.415 20 0 BDADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])nn1C ZINC000710800087 712257249 /nfs/dbraw/zinc/25/72/49/712257249.db2.gz SDVQLTNBIZXGGP-UHFFFAOYSA-N 2 1 238.379 1.679 20 0 BDADMP Cc1cnc(C[N@H+](C)CCCCCC[NH3+])nc1 ZINC000710834724 712257929 /nfs/dbraw/zinc/25/79/29/712257929.db2.gz PTWLQVBDCLVFRL-UHFFFAOYSA-N 2 1 236.363 1.736 20 0 BDADMP Cc1cnc(C[N@@H+](C)CCCCCC[NH3+])nc1 ZINC000710834724 712257930 /nfs/dbraw/zinc/25/79/30/712257930.db2.gz PTWLQVBDCLVFRL-UHFFFAOYSA-N 2 1 236.363 1.736 20 0 BDADMP Cc1nonc1C[N@H+](C)CCCCCC[NH3+] ZINC000710749718 712256046 /nfs/dbraw/zinc/25/60/46/712256046.db2.gz JPIKNEFTJYNOBS-UHFFFAOYSA-N 2 1 226.324 1.329 20 0 BDADMP Cc1nonc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710749718 712256047 /nfs/dbraw/zinc/25/60/47/712256047.db2.gz JPIKNEFTJYNOBS-UHFFFAOYSA-N 2 1 226.324 1.329 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479442 712334699 /nfs/dbraw/zinc/33/46/99/712334699.db2.gz OXGISVTZDVYDKM-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP CC[N@H+]1CC[C@H]1CNC1CC[NH+](C(C)C)CC1 ZINC000712584457 712434302 /nfs/dbraw/zinc/43/43/02/712434302.db2.gz BCGNNZYUPSELFF-AWEZNQCLSA-N 2 1 239.407 1.543 20 0 BDADMP CCN1CC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000712583282 712433972 /nfs/dbraw/zinc/43/39/72/712433972.db2.gz UEVOPVAHHFTHFW-AWEZNQCLSA-N 2 1 237.391 1.297 20 0 BDADMP CC[N@@H+]1CC[C@H]1CNC1CC[NH+](C(C)C)CC1 ZINC000712584457 712434301 /nfs/dbraw/zinc/43/43/01/712434301.db2.gz BCGNNZYUPSELFF-AWEZNQCLSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000713606417 712466828 /nfs/dbraw/zinc/46/68/28/712466828.db2.gz LXLYMNOEEBSRGZ-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC([NH3+])C1 ZINC000714801118 712498593 /nfs/dbraw/zinc/49/85/93/712498593.db2.gz MWRIWLRKOPSTDX-XVSSEFHLSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](C)CC1 ZINC000036993513 712527054 /nfs/dbraw/zinc/52/70/54/712527054.db2.gz YCBDDUULFIZLFB-LLVKDONJSA-N 2 1 222.332 1.894 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000716843558 712578348 /nfs/dbraw/zinc/57/83/48/712578348.db2.gz KPFJVHOKFTWTGY-IJLUTSLNSA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000379891515 712621056 /nfs/dbraw/zinc/62/10/56/712621056.db2.gz ANNAOOXGGTUIDU-VHSXEESVSA-N 2 1 220.307 1.947 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000379891515 712621058 /nfs/dbraw/zinc/62/10/58/712621058.db2.gz ANNAOOXGGTUIDU-VHSXEESVSA-N 2 1 220.307 1.947 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000037485312 712650905 /nfs/dbraw/zinc/65/09/05/712650905.db2.gz SRLYDIZYWIIABP-MNOVXSKESA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720874203 712873547 /nfs/dbraw/zinc/87/35/47/712873547.db2.gz WSGJTCHDZYFEGV-IUCAKERBSA-N 2 1 224.270 1.711 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000380456416 712901104 /nfs/dbraw/zinc/90/11/04/712901104.db2.gz KZMKMJUMUSUCAP-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000380456416 712901105 /nfs/dbraw/zinc/90/11/05/712901105.db2.gz KZMKMJUMUSUCAP-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@H]1CC[NH3+] ZINC000723887718 710732614 /nfs/dbraw/zinc/73/26/14/710732614.db2.gz PXBCIGALEAAARM-IJLUTSLNSA-N 2 1 228.405 1.656 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000396706581 710907196 /nfs/dbraw/zinc/90/71/96/710907196.db2.gz NISLZVCLNSWTGT-QJPTWQEYSA-N 2 1 214.353 1.388 20 0 BDADMP CCCC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000383584802 710982638 /nfs/dbraw/zinc/98/26/38/710982638.db2.gz MRNGYKASHWRHCN-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CCCC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000383584802 710982643 /nfs/dbraw/zinc/98/26/43/710982643.db2.gz MRNGYKASHWRHCN-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000383874784 710986932 /nfs/dbraw/zinc/98/69/32/710986932.db2.gz BPFBQWDXXTWNKQ-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000383874784 710986936 /nfs/dbraw/zinc/98/69/36/710986936.db2.gz BPFBQWDXXTWNKQ-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384000606 710987729 /nfs/dbraw/zinc/98/77/29/710987729.db2.gz KVGYYNXJEFRDNU-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384000606 710987732 /nfs/dbraw/zinc/98/77/32/710987732.db2.gz KVGYYNXJEFRDNU-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)O ZINC000386796075 711036440 /nfs/dbraw/zinc/03/64/40/711036440.db2.gz PFZSUTHMTQJBBA-OFIBSPLFSA-N 2 1 226.364 1.361 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000389600486 711082488 /nfs/dbraw/zinc/08/24/88/711082488.db2.gz UFOXCOKFSIUXOM-GFCCVEGCSA-N 2 1 216.369 1.418 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000389600486 711082491 /nfs/dbraw/zinc/08/24/91/711082491.db2.gz UFOXCOKFSIUXOM-GFCCVEGCSA-N 2 1 216.369 1.418 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000389600486 711082494 /nfs/dbraw/zinc/08/24/94/711082494.db2.gz UFOXCOKFSIUXOM-GFCCVEGCSA-N 2 1 216.369 1.418 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CC[N@H+]1C ZINC000390593258 711128603 /nfs/dbraw/zinc/12/86/03/711128603.db2.gz ZUWWFTUNGIMEIT-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000390702257 711132443 /nfs/dbraw/zinc/13/24/43/711132443.db2.gz AEUVDMSMCXTEEX-OAHLLOKOSA-N 2 1 248.370 1.874 20 0 BDADMP C[N@@H+]1CC=C(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000392811051 711151773 /nfs/dbraw/zinc/15/17/73/711151773.db2.gz HEUGAJNXSPRZPW-UHFFFAOYSA-N 2 1 224.352 1.161 20 0 BDADMP O=c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc[nH]1 ZINC000392764679 711152459 /nfs/dbraw/zinc/15/24/59/711152459.db2.gz RWTDYSUTUSKSMU-OLZOCXBDSA-N 2 1 247.342 1.504 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000393795194 711174556 /nfs/dbraw/zinc/17/45/56/711174556.db2.gz IJYIKOWGHMHXCZ-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP COCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396585933 711358038 /nfs/dbraw/zinc/35/80/38/711358038.db2.gz HPCOPAKRDDQHLJ-NEPJUHHUSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000396604323 711358641 /nfs/dbraw/zinc/35/86/41/711358641.db2.gz IAHOHOVKBPHSHB-YVECIDJPSA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1(C)C ZINC000396604336 711359716 /nfs/dbraw/zinc/35/97/16/711359716.db2.gz OKTFBZBHKZAAPH-WHOHXGKFSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1nccs1 ZINC000396610324 711360050 /nfs/dbraw/zinc/36/00/50/711360050.db2.gz JTMNKNNAGCMHDZ-GMTAPVOTSA-N 2 1 239.388 1.977 20 0 BDADMP ClC1(Cl)C[C@@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000399248726 711425942 /nfs/dbraw/zinc/42/59/42/711425942.db2.gz JEJDCLKZFFJRTJ-AEJSXWLSSA-N 2 1 249.185 1.722 20 0 BDADMP ClC1(Cl)C[C@@H]1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000399248726 711425945 /nfs/dbraw/zinc/42/59/45/711425945.db2.gz JEJDCLKZFFJRTJ-AEJSXWLSSA-N 2 1 249.185 1.722 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1C2CCC1CC2 ZINC000399354364 711428708 /nfs/dbraw/zinc/42/87/08/711428708.db2.gz CLJKNIJNWWFTGC-BPCQOVAHSA-N 2 1 224.348 1.070 20 0 BDADMP C[C@@H]1C[C@H](C)CC[N@@H+](CCOCC[NH3+])C1 ZINC000723781664 710730879 /nfs/dbraw/zinc/73/08/79/710730879.db2.gz FNONSPMTDLXQDC-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386572146 711032766 /nfs/dbraw/zinc/03/27/66/711032766.db2.gz LZMLTKUWLRVBCK-AGIUHOORSA-N 2 1 228.380 1.514 20 0 BDADMP C(CC1CC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000394487074 711194137 /nfs/dbraw/zinc/19/41/37/711194137.db2.gz IGLJZTWOXYHXQK-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCC2CC2)CCO1 ZINC000394617542 711195305 /nfs/dbraw/zinc/19/53/05/711195305.db2.gz OXEYGJYVFYMZLQ-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCC2CC2)CCO1 ZINC000394617542 711195309 /nfs/dbraw/zinc/19/53/09/711195309.db2.gz OXEYGJYVFYMZLQ-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)CCOCC[NH2+][C@H]1CCCN[C@@H]1C ZINC000396638163 711361956 /nfs/dbraw/zinc/36/19/56/711361956.db2.gz LVANUSFUXCFGMA-OLZOCXBDSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000396699227 711364536 /nfs/dbraw/zinc/36/45/36/711364536.db2.gz KNZPIGFDCLPZOV-MNOVXSKESA-N 2 1 214.353 1.125 20 0 BDADMP CCSCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396688166 711364579 /nfs/dbraw/zinc/36/45/79/711364579.db2.gz YBJRIPNRBYGGDZ-WDEREUQCSA-N 2 1 216.394 1.860 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000396686232 711364979 /nfs/dbraw/zinc/36/49/79/711364979.db2.gz YHCAMVUJHRIQTE-RKFYDKJMSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000397302712 711381444 /nfs/dbraw/zinc/38/14/44/711381444.db2.gz LDRXSKAWULCUKC-HZSPNIEDSA-N 2 1 242.407 1.844 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000723121345 711505884 /nfs/dbraw/zinc/50/58/84/711505884.db2.gz JLLLYCRDMODAJQ-WYUUTHIRSA-N 2 1 212.337 1.081 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000723121345 711505885 /nfs/dbraw/zinc/50/58/85/711505885.db2.gz JLLLYCRDMODAJQ-WYUUTHIRSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000723622262 711526904 /nfs/dbraw/zinc/52/69/04/711526904.db2.gz VFSZHBQYFOWWLD-LLVKDONJSA-N 2 1 223.320 1.462 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000723622262 711526906 /nfs/dbraw/zinc/52/69/06/711526906.db2.gz VFSZHBQYFOWWLD-LLVKDONJSA-N 2 1 223.320 1.462 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723679392 711533847 /nfs/dbraw/zinc/53/38/47/711533847.db2.gz BSSQBUWQENQVGA-GFCCVEGCSA-N 2 1 236.363 1.635 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC2(CCC2)CO1 ZINC000716296069 711571989 /nfs/dbraw/zinc/57/19/89/711571989.db2.gz VSVDVTHDGJZLIY-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC2(CCC2)CO1 ZINC000716296069 711571990 /nfs/dbraw/zinc/57/19/90/711571990.db2.gz VSVDVTHDGJZLIY-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP c1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cs1 ZINC000383369817 711644778 /nfs/dbraw/zinc/64/47/78/711644778.db2.gz YIFAIUMBVQUVOH-QSLWVIQJSA-N 2 1 248.395 1.877 20 0 BDADMP CC[N@H+](C[C@@H](C)OC)C[C@H](O)C[NH+](C)C(C)C ZINC000383109736 711672486 /nfs/dbraw/zinc/67/24/86/711672486.db2.gz MUPBXMBBLCTWGN-CHWSQXEVSA-N 2 1 246.395 1.044 20 0 BDADMP CC[N@@H+](C[C@@H](C)OC)C[C@H](O)C[NH+](C)C(C)C ZINC000383109736 711672488 /nfs/dbraw/zinc/67/24/88/711672488.db2.gz MUPBXMBBLCTWGN-CHWSQXEVSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C[C@@H](C)OC)C[C@H](O)C[N@H+](C)C(C)C ZINC000383109736 711672489 /nfs/dbraw/zinc/67/24/89/711672489.db2.gz MUPBXMBBLCTWGN-CHWSQXEVSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C[C@@H](C)OC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000383109736 711672492 /nfs/dbraw/zinc/67/24/92/711672492.db2.gz MUPBXMBBLCTWGN-CHWSQXEVSA-N 2 1 246.395 1.044 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H](OC)C2)CC[C@@H]1[NH3+] ZINC000721910749 711694307 /nfs/dbraw/zinc/69/43/07/711694307.db2.gz YLSAMDBBCMMBOZ-RVMXOQNASA-N 2 1 226.364 1.471 20 0 BDADMP CCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCOCC1 ZINC000396598664 711702505 /nfs/dbraw/zinc/70/25/05/711702505.db2.gz MKDMIXSQQKSJOT-CHWSQXEVSA-N 2 1 240.391 1.923 20 0 BDADMP [NH3+]CCC[C@@H](NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700946 711710544 /nfs/dbraw/zinc/71/05/44/711710544.db2.gz XQFWMKTZCICUAX-LSDHHAIUSA-N 2 1 247.386 1.794 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000925711355 711711426 /nfs/dbraw/zinc/71/14/26/711711426.db2.gz MUEKDYJCQJPCDP-VXGBXAGGSA-N 3 1 213.369 1.236 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925712254 711711953 /nfs/dbraw/zinc/71/19/53/711711953.db2.gz XESNYTQRZYBYES-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000925879584 711762048 /nfs/dbraw/zinc/76/20/48/711762048.db2.gz ABLVSHYPIHZQJM-UKRRQHHQSA-N 2 1 246.354 1.642 20 0 BDADMP COC[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000721916466 711918704 /nfs/dbraw/zinc/91/87/04/711918704.db2.gz XMKTYMMDOILBNG-CHWSQXEVSA-N 2 1 228.380 1.576 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000721926794 711937805 /nfs/dbraw/zinc/93/78/05/711937805.db2.gz INUOLFHLWQDZTH-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP CC[NH+]1CCC(CNc2cc(NC)[nH+]cn2)CC1 ZINC000131940950 711951359 /nfs/dbraw/zinc/95/13/59/711951359.db2.gz KUFRKAAPUDNTJC-UHFFFAOYSA-N 2 1 249.362 1.662 20 0 BDADMP COc1cncc(C[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000700010288 711982818 /nfs/dbraw/zinc/98/28/18/711982818.db2.gz CLXWCSPDWZDZDQ-LLVKDONJSA-N 2 1 237.347 1.378 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3COC[C@H]3C2)C1 ZINC000702076683 712037989 /nfs/dbraw/zinc/03/79/89/712037989.db2.gz FKNSXCFWUMYXKF-UMSGYPCISA-N 2 1 224.348 1.082 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCCCF)C2 ZINC000702124764 712039503 /nfs/dbraw/zinc/03/95/03/712039503.db2.gz HVJNFKVSTNCLCF-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703018669 712065335 /nfs/dbraw/zinc/06/53/35/712065335.db2.gz ZDSKVMVVDWORCD-HSBZDZAISA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+](Cc1cccc(F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000703614379 712081106 /nfs/dbraw/zinc/08/11/06/712081106.db2.gz AHIBHDWTWTUGCW-BJHJDKERSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000703603706 712082311 /nfs/dbraw/zinc/08/23/11/712082311.db2.gz FLWAUWVMWVNPBE-GMKTYKIGSA-N 2 1 226.364 1.410 20 0 BDADMP C[C@H]1COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703892419 712092948 /nfs/dbraw/zinc/09/29/48/712092948.db2.gz AQSNINWSWBKJPP-WODVXLOZSA-N 2 1 224.348 1.238 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)OCC ZINC000705378591 712129706 /nfs/dbraw/zinc/12/97/06/712129706.db2.gz YDINLRSEDSYQPO-JHJVBQTASA-N 2 1 228.380 1.922 20 0 BDADMP C[C@H](O)CCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705667206 712135101 /nfs/dbraw/zinc/13/51/01/712135101.db2.gz IKKSPOONLWTSAF-BFHYXJOUSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706895338 712159668 /nfs/dbraw/zinc/15/96/68/712159668.db2.gz BTEQUBHOUSJMAG-VOMCLLRMSA-N 2 1 228.405 1.812 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000707525829 712171920 /nfs/dbraw/zinc/17/19/20/712171920.db2.gz UAPFHVKRKRXLPP-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CC[C@H]1C[NH3+] ZINC000708352839 712189786 /nfs/dbraw/zinc/18/97/86/712189786.db2.gz DKODLEKSQVYTJW-AGIUHOORSA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000708390166 712191678 /nfs/dbraw/zinc/19/16/78/712191678.db2.gz QOMQXTGLBKHLGW-YFKTTZPYSA-N 2 1 212.337 1.223 20 0 BDADMP Cc1ccccc1OCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708841596 712200639 /nfs/dbraw/zinc/20/06/39/712200639.db2.gz UFHSLZLURUIKSD-ZIAGYGMSSA-N 2 1 248.370 1.900 20 0 BDADMP C[C@@H]1C[N@@H+](CCSC(F)(F)F)C[C@H]1C[NH3+] ZINC000708862194 712201039 /nfs/dbraw/zinc/20/10/39/712201039.db2.gz NLCMCBPIMONZPK-HTQZYQBOSA-N 2 1 242.310 1.766 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CC1)C2 ZINC000709862387 712230038 /nfs/dbraw/zinc/23/00/38/712230038.db2.gz NCQGKIHULRUCMY-XQQFMLRXSA-N 2 1 208.349 1.988 20 0 BDADMP OCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709998218 712238926 /nfs/dbraw/zinc/23/89/26/712238926.db2.gz XIXJNVFUABUDCO-AWEZNQCLSA-N 2 1 240.391 1.615 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000710048321 712243602 /nfs/dbraw/zinc/24/36/02/712243602.db2.gz PUSWDWHLFFITSG-LLVKDONJSA-N 2 1 247.346 1.666 20 0 BDADMP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCCCCC[NH3+] ZINC000710752261 712256751 /nfs/dbraw/zinc/25/67/51/712256751.db2.gz XZUUNQKKVPHACN-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000711247446 712291419 /nfs/dbraw/zinc/29/14/19/712291419.db2.gz FENXEABNHOXQMS-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP FC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000711450762 712301535 /nfs/dbraw/zinc/30/15/35/712301535.db2.gz BWOXMBLFPUYTTO-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP FC[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711452124 712302074 /nfs/dbraw/zinc/30/20/74/712302074.db2.gz FWHKGUFRILZUTO-ODWCKFRGSA-N 2 1 226.339 1.808 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CF)C2)CC[NH2+]1 ZINC000711467086 712302457 /nfs/dbraw/zinc/30/24/57/712302457.db2.gz SIGXCGTWOFYKRH-WOPDTQHZSA-N 2 1 214.328 1.666 20 0 BDADMP FC[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000711452231 712302480 /nfs/dbraw/zinc/30/24/80/712302480.db2.gz GTLBKXIOAPUGRX-LLVKDONJSA-N 2 1 200.301 1.277 20 0 BDADMP FC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000711451352 712302516 /nfs/dbraw/zinc/30/25/16/712302516.db2.gz CNQGBRWEIYJIPB-GHMZBOCLSA-N 2 1 200.301 1.277 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711471728 712302924 /nfs/dbraw/zinc/30/29/24/712302924.db2.gz UWDUGUXLWWKJGH-NEPJUHHUSA-N 2 1 224.348 1.369 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)O2)CC1 ZINC000711463404 712304729 /nfs/dbraw/zinc/30/47/29/712304729.db2.gz OSQBWJCUEBAYTB-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOC2CC2)CC[C@H]1[NH3+] ZINC000711731117 712320275 /nfs/dbraw/zinc/32/02/75/712320275.db2.gz MAERFDKLNGBMDP-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOC1CC1)C2 ZINC000711758505 712325931 /nfs/dbraw/zinc/32/59/31/712325931.db2.gz JMEBWYDHUQLNEM-AAEUAGOBSA-N 2 1 224.348 1.226 20 0 BDADMP C[N@H+]1CC=C(C[NH2+]Cc2nccn2C2CC2)CC1 ZINC000711758793 712326462 /nfs/dbraw/zinc/32/64/62/712326462.db2.gz YCIRTKHWDYWUHI-UHFFFAOYSA-N 2 1 246.358 1.570 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2nccn2C2CC2)CC1 ZINC000711758793 712326463 /nfs/dbraw/zinc/32/64/63/712326463.db2.gz YCIRTKHWDYWUHI-UHFFFAOYSA-N 2 1 246.358 1.570 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C1CCC1 ZINC000923480294 712334226 /nfs/dbraw/zinc/33/42/26/712334226.db2.gz WPSMGCRHCKTCOV-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479448 712334586 /nfs/dbraw/zinc/33/45/86/712334586.db2.gz PBCSEKUUSRAOMI-GHMZBOCLSA-N 2 1 220.320 1.208 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCCCCC1 ZINC000383671240 712383858 /nfs/dbraw/zinc/38/38/58/712383858.db2.gz OGDIYBWNRDZEAW-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712437757 712429781 /nfs/dbraw/zinc/42/97/81/712429781.db2.gz KMTXIOMAPWBPQT-OLZOCXBDSA-N 2 1 238.375 1.759 20 0 BDADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)[C@@H]1CCCO1 ZINC000713219047 712455214 /nfs/dbraw/zinc/45/52/14/712455214.db2.gz XEEPRVLJJVERCB-ZDUSSCGKSA-N 2 1 238.375 1.774 20 0 BDADMP CC1(C)CC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)OC1 ZINC000713585566 712466333 /nfs/dbraw/zinc/46/63/33/712466333.db2.gz JTJCUVSMYUWJGE-FRRDWIJNSA-N 2 1 238.375 1.343 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000036779715 712494958 /nfs/dbraw/zinc/49/49/58/712494958.db2.gz RWBKTJACXZVUNS-LBPRGKRZSA-N 2 1 222.307 1.649 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000714692780 712495670 /nfs/dbraw/zinc/49/56/70/712495670.db2.gz WBQHUEFPGDIOBM-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@]1(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC[NH2+]C1 ZINC000715420216 712518282 /nfs/dbraw/zinc/51/82/82/712518282.db2.gz HASKDBBJSYRFQF-KXUCPTDWSA-N 2 1 216.275 1.183 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC[NH2+]C1 ZINC000715420216 712518283 /nfs/dbraw/zinc/51/82/83/712518283.db2.gz HASKDBBJSYRFQF-KXUCPTDWSA-N 2 1 216.275 1.183 20 0 BDADMP CC[C@@H](C[C@H](C)O)[NH2+]C1CC[NH+](CC)CC1 ZINC000716803095 712575337 /nfs/dbraw/zinc/57/53/37/712575337.db2.gz SNELGCRQKDUKAV-RYUDHWBXSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(N)n1 ZINC000221241192 712658600 /nfs/dbraw/zinc/65/86/00/712658600.db2.gz VUGYCKOODKSNNW-SNVBAGLBSA-N 2 1 237.351 1.509 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C1(C2CC2)CCC1)C1CC1 ZINC000717820562 712681497 /nfs/dbraw/zinc/68/14/97/712681497.db2.gz WRGOPGFOGQOSPN-CYBMUJFWSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C1(C2CC2)CCC1)C1CC1 ZINC000717820562 712681499 /nfs/dbraw/zinc/68/14/99/712681499.db2.gz WRGOPGFOGQOSPN-CYBMUJFWSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H]1OCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000717929234 712734816 /nfs/dbraw/zinc/73/48/16/712734816.db2.gz GWLLUBLTZDSTMF-QCNOEVLYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC(C)(F)F)C[C@H]1C[NH3+] ZINC000718608701 712773161 /nfs/dbraw/zinc/77/31/61/712773161.db2.gz PWFRBWCFHIJPEH-NXEZZACHSA-N 2 1 220.307 1.948 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCCCCCC1 ZINC000037876897 712778822 /nfs/dbraw/zinc/77/88/22/712778822.db2.gz FZLIQMUSSZRDSU-CYBMUJFWSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000719720941 712822826 /nfs/dbraw/zinc/82/28/26/712822826.db2.gz GUZFSRXKASYOBI-FUDCBSFHSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720145235 712827682 /nfs/dbraw/zinc/82/76/82/712827682.db2.gz WBHBHZYZMQHVDI-OLZOCXBDSA-N 2 1 240.391 1.923 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000720387977 712837849 /nfs/dbraw/zinc/83/78/49/712837849.db2.gz AAVVJIWRCLGENN-GXFFZTMASA-N 2 1 237.347 1.932 20 0 BDADMP Cc1conc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000720387977 712837851 /nfs/dbraw/zinc/83/78/51/712837851.db2.gz AAVVJIWRCLGENN-GXFFZTMASA-N 2 1 237.347 1.932 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)nn1 ZINC000720568616 712852143 /nfs/dbraw/zinc/85/21/43/712852143.db2.gz USWIBXMWYMVLNL-TVQRCGJNSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)nn1 ZINC000720568616 712852145 /nfs/dbraw/zinc/85/21/45/712852145.db2.gz USWIBXMWYMVLNL-TVQRCGJNSA-N 2 1 234.347 1.263 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720870107 712871912 /nfs/dbraw/zinc/87/19/12/712871912.db2.gz KSIDIFVOUSNYPN-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720870107 712871913 /nfs/dbraw/zinc/87/19/13/712871913.db2.gz KSIDIFVOUSNYPN-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720870794 712872101 /nfs/dbraw/zinc/87/21/01/712872101.db2.gz LPTZYMWRLUTZQS-IGQOVBAYSA-N 2 1 238.375 1.615 20 0 BDADMP CC(C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720869078 712872287 /nfs/dbraw/zinc/87/22/87/712872287.db2.gz CBAWWBCUWDSMBP-YUMQZZPRSA-N 2 1 210.243 1.464 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCF)C[C@@H]1C(F)(F)F ZINC000720872518 712873188 /nfs/dbraw/zinc/87/31/88/712873188.db2.gz PMKWGCKTUJOKQS-YUMQZZPRSA-N 2 1 228.233 1.415 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCF)C[C@@H]1C(F)(F)F ZINC000720872515 712873472 /nfs/dbraw/zinc/87/34/72/712873472.db2.gz PMKWGCKTUJOKQS-SFYZADRCSA-N 2 1 228.233 1.415 20 0 BDADMP CCCO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606172 957094879 /nfs/dbraw/zinc/09/48/79/957094879.db2.gz DHWJTZYDZJJNHZ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCCO[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208606172 957094891 /nfs/dbraw/zinc/09/48/91/957094891.db2.gz DHWJTZYDZJJNHZ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCCO[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208606172 957094900 /nfs/dbraw/zinc/09/49/00/957094900.db2.gz DHWJTZYDZJJNHZ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC2(CCC2)C1 ZINC001209730013 957525816 /nfs/dbraw/zinc/52/58/16/957525816.db2.gz CXMYZZXYPIUTHP-UHFFFAOYSA-N 2 1 217.316 1.870 20 0 BDADMP CN(CC1CC[NH+](C)CC1)c1[nH+]cccc1N ZINC000063120400 721932097 /nfs/dbraw/zinc/93/20/97/721932097.db2.gz DNLDNFSOFUYUSB-UHFFFAOYSA-N 2 1 234.347 1.442 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)C[NH2+]1 ZINC000708244684 959261625 /nfs/dbraw/zinc/26/16/25/959261625.db2.gz VBPQPXBOERSBMS-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CCOC3)C2)C[NH2+]1 ZINC000708244684 959261643 /nfs/dbraw/zinc/26/16/43/959261643.db2.gz VBPQPXBOERSBMS-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000689794485 960368388 /nfs/dbraw/zinc/36/83/88/960368388.db2.gz OICNBKSSDJRGNQ-JSGCOSHPSA-N 2 1 238.375 1.653 20 0 BDADMP CCSC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000709481646 960618293 /nfs/dbraw/zinc/61/82/93/960618293.db2.gz HRGFIPQUGJZTIU-WDEREUQCSA-N 2 1 216.394 1.669 20 0 BDADMP C[NH+](C)C[C@H]1CCCN1c1cccc(N)[nH+]1 ZINC000087727400 961732992 /nfs/dbraw/zinc/73/29/92/961732992.db2.gz PXYKYARDLXSMDH-SNVBAGLBSA-N 2 1 220.320 1.194 20 0 BDADMP C[C@@H]1C[C@@H](NCC[C@@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000710408527 962378862 /nfs/dbraw/zinc/37/88/62/962378862.db2.gz FEKHPZJSEBVIAY-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000710408527 962378871 /nfs/dbraw/zinc/37/88/71/962378871.db2.gz FEKHPZJSEBVIAY-AGIUHOORSA-N 3 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000710408527 962378892 /nfs/dbraw/zinc/37/88/92/962378892.db2.gz FEKHPZJSEBVIAY-AGIUHOORSA-N 3 1 225.380 1.201 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC2(F)F)CC1 ZINC001168290773 964388367 /nfs/dbraw/zinc/38/83/67/964388367.db2.gz XBAPHAIVHSUBBD-UDNWOFFPSA-N 2 1 218.291 1.856 20 0 BDADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CC[C@H]1O ZINC001168313701 964416631 /nfs/dbraw/zinc/41/66/31/964416631.db2.gz GDQXETHIGICRHB-GFJIZPEISA-N 2 1 240.391 1.562 20 0 BDADMP CN(C)[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315002 964427802 /nfs/dbraw/zinc/42/78/02/964427802.db2.gz KLDPFPFPQWRNJU-RUXDESIVSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000698774728 965498416 /nfs/dbraw/zinc/49/84/16/965498416.db2.gz MLTLMTXRILUAKD-GUDRVLHUSA-N 2 1 248.317 1.468 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000715580906 967193025 /nfs/dbraw/zinc/19/30/25/967193025.db2.gz OEGJTRHLNWQSNI-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000715580906 967193034 /nfs/dbraw/zinc/19/30/34/967193034.db2.gz OEGJTRHLNWQSNI-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP Cc1nccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205093890 967338250 /nfs/dbraw/zinc/33/82/50/967338250.db2.gz HLYQRKDMOYVNGK-LLVKDONJSA-N 2 1 220.320 1.098 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205093890 967338259 /nfs/dbraw/zinc/33/82/59/967338259.db2.gz HLYQRKDMOYVNGK-LLVKDONJSA-N 2 1 220.320 1.098 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001205601621 967721407 /nfs/dbraw/zinc/72/14/07/967721407.db2.gz FKKMZYSTOKXDFO-MCIONIFRSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC001206296198 968200432 /nfs/dbraw/zinc/20/04/32/968200432.db2.gz QFTYCAHVDSDGQR-CQSZACIVSA-N 3 1 241.423 1.956 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCCC2)C[C@@H]1O ZINC001206506801 968347875 /nfs/dbraw/zinc/34/78/75/968347875.db2.gz QIWGBMPDQRCERX-KBPBESRZSA-N 2 1 240.391 1.598 20 0 BDADMP C[C@H](CC[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206511841 968343238 /nfs/dbraw/zinc/34/32/38/968343238.db2.gz DKNSNPCGUNRRFR-AGIUHOORSA-N 2 1 242.407 1.700 20 0 BDADMP CC(C)[NH+]1CC(OCC[NH+]2CCCCC2)C1 ZINC001206701241 968436747 /nfs/dbraw/zinc/43/67/47/968436747.db2.gz RNJIGROAEWORNF-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCCOCC1 ZINC001207275242 968705809 /nfs/dbraw/zinc/70/58/09/968705809.db2.gz LCMQSYCRXOAJFB-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCOCC1 ZINC001207275242 968705817 /nfs/dbraw/zinc/70/58/17/968705817.db2.gz LCMQSYCRXOAJFB-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](O)CC1 ZINC001207275248 968705843 /nfs/dbraw/zinc/70/58/43/968705843.db2.gz LGRRWGDMFSKLTD-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207391343 968746460 /nfs/dbraw/zinc/74/64/60/968746460.db2.gz GZEONQAAHADGAD-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP CCO[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207399316 968750059 /nfs/dbraw/zinc/75/00/59/968750059.db2.gz IBUFRBOIBFDRIQ-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001207398737 968752696 /nfs/dbraw/zinc/75/26/96/968752696.db2.gz LSFAYSOXGKZEIQ-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCOC1)C1CCN(C)CC1 ZINC001207468342 968787612 /nfs/dbraw/zinc/78/76/12/968787612.db2.gz OVSSNKSTKJTXPE-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001207482614 968798111 /nfs/dbraw/zinc/79/81/11/968798111.db2.gz ZCPVAWWSADCWMH-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC001207481757 968799796 /nfs/dbraw/zinc/79/97/96/968799796.db2.gz OEEZSZSEBFHLNC-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108033 968987049 /nfs/dbraw/zinc/98/70/49/968987049.db2.gz NPOIRASKDHKEPR-CYBMUJFWSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001252804327 968993100 /nfs/dbraw/zinc/99/31/00/968993100.db2.gz KUXNDSLVNTYUDD-XJFOESAGSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001208116186 969005474 /nfs/dbraw/zinc/00/54/74/969005474.db2.gz PUCQERZYJGOFNI-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC001253187800 969103572 /nfs/dbraw/zinc/10/35/72/969103572.db2.gz JFHMDJFVOLZXDG-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CC2(C)COC2)CC1 ZINC001208597080 969153051 /nfs/dbraw/zinc/15/30/51/969153051.db2.gz CDPXFTLZWGOHCQ-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](CCC1CC1)CC2 ZINC001208688584 969196074 /nfs/dbraw/zinc/19/60/74/969196074.db2.gz OAIQQKQQMJAVMP-UHFFFAOYSA-N 2 1 205.305 1.541 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](CCC1CC1)CC2 ZINC001208688584 969196077 /nfs/dbraw/zinc/19/60/77/969196077.db2.gz OAIQQKQQMJAVMP-UHFFFAOYSA-N 2 1 205.305 1.541 20 0 BDADMP COCOCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001209032391 969326008 /nfs/dbraw/zinc/32/60/08/969326008.db2.gz SOVATWMGPNFUGY-CYBMUJFWSA-N 2 1 242.363 1.025 20 0 BDADMP COCOCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001209032391 969326006 /nfs/dbraw/zinc/32/60/06/969326006.db2.gz SOVATWMGPNFUGY-CYBMUJFWSA-N 2 1 242.363 1.025 20 0 BDADMP CC(C)(C)[C@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001253748965 969366871 /nfs/dbraw/zinc/36/68/71/969366871.db2.gz RFRSRYHHGVOHLD-SNVBAGLBSA-N 2 1 225.336 1.339 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]1(C)CCOC1)C2 ZINC001169119306 969413511 /nfs/dbraw/zinc/41/35/11/969413511.db2.gz RASPPVHCKIYMGH-RNJOBUHISA-N 2 1 224.348 1.380 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001254183712 969535378 /nfs/dbraw/zinc/53/53/78/969535378.db2.gz DMAREIZCVVDYHT-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)C(C)(C)O)CC1 ZINC001254510783 969678993 /nfs/dbraw/zinc/67/89/93/969678993.db2.gz QLFIRPCUTPTNJV-LLVKDONJSA-N 2 1 228.380 1.610 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254504073 969676332 /nfs/dbraw/zinc/67/63/32/969676332.db2.gz SFTAFHWASRVAHI-UTUOFQBUSA-N 2 1 240.347 1.012 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](CO)CC2)CC1 ZINC001254516345 969690736 /nfs/dbraw/zinc/69/07/36/969690736.db2.gz LYTDQJPMNMCMPG-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC001254516345 969690746 /nfs/dbraw/zinc/69/07/46/969690746.db2.gz LYTDQJPMNMCMPG-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC001254516345 969690770 /nfs/dbraw/zinc/69/07/70/969690770.db2.gz LYTDQJPMNMCMPG-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](CC)CCN(C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515894 969690055 /nfs/dbraw/zinc/69/00/55/969690055.db2.gz GFWKTJTYCZDDCQ-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517080 969695656 /nfs/dbraw/zinc/69/56/56/969695656.db2.gz RXZHOUIGHSHCMG-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254517080 969695662 /nfs/dbraw/zinc/69/56/62/969695662.db2.gz RXZHOUIGHSHCMG-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517080 969695664 /nfs/dbraw/zinc/69/56/64/969695664.db2.gz RXZHOUIGHSHCMG-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP COC(C[N@H+](C)[C@H]1CCC[NH+](C)CC1)OC ZINC001254525159 969712796 /nfs/dbraw/zinc/71/27/96/969712796.db2.gz GUYXBNVFVMLHBH-NSHDSACASA-N 2 1 230.352 1.021 20 0 BDADMP COC(C[N@@H+](C)[C@H]1CCC[NH+](C)CC1)OC ZINC001254525159 969712800 /nfs/dbraw/zinc/71/28/00/969712800.db2.gz GUYXBNVFVMLHBH-NSHDSACASA-N 2 1 230.352 1.021 20 0 BDADMP COC(C[NH+](C)[C@H]1CCC[N@H+](C)CC1)OC ZINC001254525159 969712808 /nfs/dbraw/zinc/71/28/08/969712808.db2.gz GUYXBNVFVMLHBH-NSHDSACASA-N 2 1 230.352 1.021 20 0 BDADMP COC(C[NH+](C)[C@H]1CCC[N@@H+](C)CC1)OC ZINC001254525159 969712821 /nfs/dbraw/zinc/71/28/21/969712821.db2.gz GUYXBNVFVMLHBH-NSHDSACASA-N 2 1 230.352 1.021 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001254523519 969710213 /nfs/dbraw/zinc/71/02/13/969710213.db2.gz OTSBJTOMEHHNQU-ZDEQEGDKSA-N 2 1 226.339 1.903 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001254523519 969710216 /nfs/dbraw/zinc/71/02/16/969710216.db2.gz OTSBJTOMEHHNQU-ZDEQEGDKSA-N 2 1 226.339 1.903 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001254523519 969710223 /nfs/dbraw/zinc/71/02/23/969710223.db2.gz OTSBJTOMEHHNQU-ZDEQEGDKSA-N 2 1 226.339 1.903 20 0 BDADMP C[N@H+]1CCN([C@@H]2CCC[NH+](C)CC2)CC1(C)C ZINC001254525746 969718965 /nfs/dbraw/zinc/71/89/65/969718965.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+]1CCN([C@@H]2CCC[N@H+](C)CC2)CC1(C)C ZINC001254525746 969718974 /nfs/dbraw/zinc/71/89/74/969718974.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+]1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1(C)C ZINC001254525746 969718980 /nfs/dbraw/zinc/71/89/80/969718980.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CN1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC1(C)C ZINC001254525746 969718990 /nfs/dbraw/zinc/71/89/90/969718990.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CN1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)CC1(C)C ZINC001254525746 969719005 /nfs/dbraw/zinc/71/90/05/969719005.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CN1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1(C)C ZINC001254525746 969719012 /nfs/dbraw/zinc/71/90/12/969719012.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CN1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1(C)C ZINC001254525746 969719022 /nfs/dbraw/zinc/71/90/22/969719022.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CC(=O)[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532141 969725382 /nfs/dbraw/zinc/72/53/82/969725382.db2.gz QBXWHGFWKAMUGI-QWHCGFSZSA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254532141 969725394 /nfs/dbraw/zinc/72/53/94/969725394.db2.gz QBXWHGFWKAMUGI-QWHCGFSZSA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254532141 969725406 /nfs/dbraw/zinc/72/54/06/969725406.db2.gz QBXWHGFWKAMUGI-QWHCGFSZSA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254532141 969725417 /nfs/dbraw/zinc/72/54/17/969725417.db2.gz QBXWHGFWKAMUGI-QWHCGFSZSA-N 2 1 224.348 1.382 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+]C1CCOCC1 ZINC001255030923 969855167 /nfs/dbraw/zinc/85/51/67/969855167.db2.gz ZJYPVKMKKFIWLO-UHFFFAOYSA-N 2 1 228.380 1.877 20 0 BDADMP CN1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001255038876 969862316 /nfs/dbraw/zinc/86/23/16/969862316.db2.gz SAMKEQSCYXMWGR-UHFFFAOYSA-N 2 1 212.337 1.191 20 0 BDADMP CCCC[C@@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001255316592 970087589 /nfs/dbraw/zinc/08/75/89/970087589.db2.gz ZZOWYPWAPWZZCH-OCCSQVGLSA-N 2 1 239.407 1.578 20 0 BDADMP CC[NH+](CC)[C@H]1CCN([C@H]2CC[N@@H+](C)C2)C1 ZINC001255439037 970168329 /nfs/dbraw/zinc/16/83/29/970168329.db2.gz QCFHCBXYMUGWLN-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001255487778 970238896 /nfs/dbraw/zinc/23/88/96/970238896.db2.gz VJWWTPFMBDANNO-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP COC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001255576473 970374227 /nfs/dbraw/zinc/37/42/27/970374227.db2.gz YVXUJZIDMXKPOO-NSHDSACASA-N 2 1 214.353 1.295 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@H]1C[NH3+] ZINC000400565732 970603660 /nfs/dbraw/zinc/60/36/60/970603660.db2.gz NVHIDDVEIKNTEV-AGIUHOORSA-N 2 1 226.364 1.330 20 0 BDADMP C[NH+]1CCC([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001256203083 970700213 /nfs/dbraw/zinc/70/02/13/970700213.db2.gz QXRQELXBFLXISC-KOLCDFICSA-N 2 1 230.302 1.668 20 0 BDADMP C[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001256203083 970700216 /nfs/dbraw/zinc/70/02/16/970700216.db2.gz QXRQELXBFLXISC-KOLCDFICSA-N 2 1 230.302 1.668 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](CC)C1 ZINC001173350486 975295013 /nfs/dbraw/zinc/29/50/13/975295013.db2.gz PAXJXNFIMAIFKT-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](CC)C1 ZINC001173350486 975295021 /nfs/dbraw/zinc/29/50/21/975295021.db2.gz PAXJXNFIMAIFKT-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CC[NH+](CC)[C@H]1CCN([C@H]2CC[N@@H+](CC)C2)C1 ZINC001173372838 975356802 /nfs/dbraw/zinc/35/68/02/975356802.db2.gz RXXLQHCNPHYLLK-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CCSCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001175203427 977309397 /nfs/dbraw/zinc/30/93/97/977309397.db2.gz NLBAYLQYJFZGPD-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CC2)C12CCC2 ZINC001336051177 977455442 /nfs/dbraw/zinc/45/54/42/977455442.db2.gz NHDZLLOVCRIHIN-FRRDWIJNSA-N 2 1 238.375 1.220 20 0 BDADMP CCCCCC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001336764191 977932924 /nfs/dbraw/zinc/93/29/24/977932924.db2.gz WGTRJIYQSPQKDV-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP COCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235123128 978979452 /nfs/dbraw/zinc/97/94/52/978979452.db2.gz JAKZHOKYGZTETB-ZDUSSCGKSA-N 2 1 226.364 1.631 20 0 BDADMP COCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235123128 978979455 /nfs/dbraw/zinc/97/94/55/978979455.db2.gz JAKZHOKYGZTETB-ZDUSSCGKSA-N 2 1 226.364 1.631 20 0 BDADMP OCCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127588 978982662 /nfs/dbraw/zinc/98/26/62/978982662.db2.gz ZPXZQBKVUNJQAF-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127588 978982668 /nfs/dbraw/zinc/98/26/68/978982668.db2.gz ZPXZQBKVUNJQAF-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP CCN(CC)CC[N@@H+](CC)CCCC[NH3+] ZINC001235692148 979109363 /nfs/dbraw/zinc/10/93/63/979109363.db2.gz OPUNVZJXFSRQFG-UHFFFAOYSA-N 2 1 215.385 1.389 20 0 BDADMP CCN(CCCC[NH3+])CC[NH+](CC)CC ZINC001235692148 979109368 /nfs/dbraw/zinc/10/93/68/979109368.db2.gz OPUNVZJXFSRQFG-UHFFFAOYSA-N 2 1 215.385 1.389 20 0 BDADMP CC1(CN2CC[NH2+]CC2(C)C)CC[NH2+]CC1 ZINC001235823073 979160569 /nfs/dbraw/zinc/16/05/69/979160569.db2.gz VZCNDTQMLWGVBU-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC3CCC2CC3)O1 ZINC001235887876 979180859 /nfs/dbraw/zinc/18/08/59/979180859.db2.gz JDNKJZVKLBTWPF-MCIGGMRASA-N 2 1 224.348 1.585 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC3CCC2CC3)O1 ZINC001235887876 979180864 /nfs/dbraw/zinc/18/08/64/979180864.db2.gz JDNKJZVKLBTWPF-MCIGGMRASA-N 2 1 224.348 1.585 20 0 BDADMP CSCCC[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235977489 979243134 /nfs/dbraw/zinc/24/31/34/979243134.db2.gz GUQAHRHJFNFKOS-NXEZZACHSA-N 2 1 200.351 1.163 20 0 BDADMP CSCCC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235977489 979243151 /nfs/dbraw/zinc/24/31/51/979243151.db2.gz GUQAHRHJFNFKOS-NXEZZACHSA-N 2 1 200.351 1.163 20 0 BDADMP Cc1ccsc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235982266 979258612 /nfs/dbraw/zinc/25/86/12/979258612.db2.gz UYMJPWYLIQCGRO-CMPLNLGQSA-N 2 1 222.357 1.980 20 0 BDADMP Cc1ccsc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235982266 979258626 /nfs/dbraw/zinc/25/86/26/979258626.db2.gz UYMJPWYLIQCGRO-CMPLNLGQSA-N 2 1 222.357 1.980 20 0 BDADMP C[N@H+](CC1(C)CC[NH2+]CC1)[C@]1(C)CCCNC1 ZINC001236199763 979444944 /nfs/dbraw/zinc/44/49/44/979444944.db2.gz FVZBFILIRBOZEP-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC1(C)CC[NH2+]CC1)[C@]1(C)CCCNC1 ZINC001236199763 979444947 /nfs/dbraw/zinc/44/49/47/979444947.db2.gz FVZBFILIRBOZEP-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC001205545664 980947910 /nfs/dbraw/zinc/94/79/10/980947910.db2.gz LJYUGRUFHMJISR-NSHDSACASA-N 2 1 226.299 1.063 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC001205545664 980947913 /nfs/dbraw/zinc/94/79/13/980947913.db2.gz LJYUGRUFHMJISR-NSHDSACASA-N 2 1 226.299 1.063 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c[nH]cn2)CC1 ZINC001205545664 980947916 /nfs/dbraw/zinc/94/79/16/980947916.db2.gz LJYUGRUFHMJISR-NSHDSACASA-N 2 1 226.299 1.063 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC001205600404 981155557 /nfs/dbraw/zinc/15/55/57/981155557.db2.gz BGARMFSBVMPVIJ-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001205902698 983118407 /nfs/dbraw/zinc/11/84/07/983118407.db2.gz KYFRXCCTCJIIJR-NWDGAFQWSA-N 3 1 243.370 1.137 20 0 BDADMP CC(C)CC[C@@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246620854 973040320 /nfs/dbraw/zinc/04/03/20/973040320.db2.gz AUEIVGNWINIEKK-KGLIPLIRSA-N 2 1 239.407 1.448 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053295 970815372 /nfs/dbraw/zinc/81/53/72/970815372.db2.gz QAAANHHNWSFVRW-NXEZZACHSA-N 2 1 212.337 1.271 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053295 970815379 /nfs/dbraw/zinc/81/53/79/970815379.db2.gz QAAANHHNWSFVRW-NXEZZACHSA-N 2 1 212.337 1.271 20 0 BDADMP Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)cc(C)[nH+]1 ZINC000305986681 970823675 /nfs/dbraw/zinc/82/36/75/970823675.db2.gz DPWPFUSFUYPEMF-CYBMUJFWSA-N 2 1 235.331 1.441 20 0 BDADMP Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)cc(C)[nH+]1 ZINC000305986681 970823687 /nfs/dbraw/zinc/82/36/87/970823687.db2.gz DPWPFUSFUYPEMF-CYBMUJFWSA-N 2 1 235.331 1.441 20 0 BDADMP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCCOC1 ZINC000402779798 970851318 /nfs/dbraw/zinc/85/13/18/970851318.db2.gz NHDQLJQNNKMMJW-NXEZZACHSA-N 2 1 236.306 1.470 20 0 BDADMP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCCOC1 ZINC000402779798 970851327 /nfs/dbraw/zinc/85/13/27/970851327.db2.gz NHDQLJQNNKMMJW-NXEZZACHSA-N 2 1 236.306 1.470 20 0 BDADMP C[C@H]1COCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621875 970886559 /nfs/dbraw/zinc/88/65/59/970886559.db2.gz ASGGRXGJFFICMH-HABKJSAYSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@H]1COCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256621875 970886562 /nfs/dbraw/zinc/88/65/62/970886562.db2.gz ASGGRXGJFFICMH-HABKJSAYSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@H]1COCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256621875 970886564 /nfs/dbraw/zinc/88/65/64/970886564.db2.gz ASGGRXGJFFICMH-HABKJSAYSA-N 2 1 238.375 1.580 20 0 BDADMP CCN(CC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621649 970887918 /nfs/dbraw/zinc/88/79/18/970887918.db2.gz ZHUYRKJWZBKJFD-PBWFPOADSA-N 2 1 239.407 1.495 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC2)CCC1(F)F ZINC000403248231 970898010 /nfs/dbraw/zinc/89/80/10/970898010.db2.gz RRUGAAGZCATUAI-SNVBAGLBSA-N 2 1 218.291 1.702 20 0 BDADMP OCCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895433 971013943 /nfs/dbraw/zinc/01/39/43/971013943.db2.gz DAIWEIRVAFARSU-ZDUSSCGKSA-N 2 1 240.391 1.756 20 0 BDADMP OCCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895433 971013952 /nfs/dbraw/zinc/01/39/52/971013952.db2.gz DAIWEIRVAFARSU-ZDUSSCGKSA-N 2 1 240.391 1.756 20 0 BDADMP [NH3+]Cc1ccnn1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894373 971016639 /nfs/dbraw/zinc/01/66/39/971016639.db2.gz HUPYEJZHONNQKN-CQSZACIVSA-N 2 1 248.374 1.921 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCOC[C@H](C)C2)CC1 ZINC001257213691 971127856 /nfs/dbraw/zinc/12/78/56/971127856.db2.gz SMDUYNFLBDHFAX-CYBMUJFWSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCOC[C@H](C)C2)CC1 ZINC001257213691 971127869 /nfs/dbraw/zinc/12/78/69/971127869.db2.gz SMDUYNFLBDHFAX-CYBMUJFWSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[NH+]1CCC(N2C[C@@H]3C[C@H]2C[N@H+]3C)CC1 ZINC001257224301 971135484 /nfs/dbraw/zinc/13/54/84/971135484.db2.gz XJQQWQRIGMIMML-KBPBESRZSA-N 2 1 237.391 1.248 20 0 BDADMP CCC[C@@H](CC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001257250228 971144981 /nfs/dbraw/zinc/14/49/81/971144981.db2.gz KMIDZQQDTNLZAT-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP COC(C)(C)C[N@@H+](C)CCCCCC[NH3+] ZINC000404336058 971158349 /nfs/dbraw/zinc/15/83/49/971158349.db2.gz PXVVFMDBDCDWAA-UHFFFAOYSA-N 2 1 216.369 1.862 20 0 BDADMP CCC(CC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001257290890 971175053 /nfs/dbraw/zinc/17/50/53/971175053.db2.gz MCAFLOPNMSPOKD-CYBMUJFWSA-N 2 1 225.380 1.188 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405201918 971209014 /nfs/dbraw/zinc/20/90/14/971209014.db2.gz BDPNCLNEDUXJIS-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241009 971217677 /nfs/dbraw/zinc/21/76/77/971217677.db2.gz BBKWPHORIJYHHH-RYUDHWBXSA-N 3 1 234.347 1.051 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405294281 971230452 /nfs/dbraw/zinc/23/04/52/971230452.db2.gz ZYLVHEBKLKVNJR-RWMBFGLXSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1C[C@H](NCC[N@H+]2CC=CCC2)C12CCC2 ZINC000405335835 971235523 /nfs/dbraw/zinc/23/55/23/971235523.db2.gz ZFTAWSBLVQOFEY-OLZOCXBDSA-N 2 1 235.375 1.108 20 0 BDADMP [NH3+][C@@H]1C[C@H](NCC[N@@H+]2CC=CCC2)C12CCC2 ZINC000405335835 971235531 /nfs/dbraw/zinc/23/55/31/971235531.db2.gz ZFTAWSBLVQOFEY-OLZOCXBDSA-N 2 1 235.375 1.108 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405437588 971251860 /nfs/dbraw/zinc/25/18/60/971251860.db2.gz UVYPLMFFJLMQBX-STQMWFEESA-N 3 1 235.375 1.108 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405437586 971254319 /nfs/dbraw/zinc/25/43/19/971254319.db2.gz UVYPLMFFJLMQBX-QWHCGFSZSA-N 3 1 235.375 1.108 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000405537263 971269535 /nfs/dbraw/zinc/26/95/35/971269535.db2.gz BSZWMRSQKWXHIP-NQBHXWOUSA-N 2 1 226.364 1.484 20 0 BDADMP [NH3+]CCCC[C@H]([NH3+])c1nnc(C2CCC2)o1 ZINC001217699105 971336194 /nfs/dbraw/zinc/33/61/94/971336194.db2.gz LAVXDTOGRBYTIU-VIFPVBQESA-N 2 1 224.308 1.466 20 0 BDADMP CC(C)Cc1nnc([C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217698462 971334257 /nfs/dbraw/zinc/33/42/57/971334257.db2.gz DGKZHASVSGNLQK-VIFPVBQESA-N 2 1 226.324 1.397 20 0 BDADMP C[C@H]1C[C@@H]1c1nnc([C@H]([NH3+])CCCC[NH3+])o1 ZINC001217722223 971364520 /nfs/dbraw/zinc/36/45/20/971364520.db2.gz LGMXSDIHHROQKK-XHNCKOQMSA-N 2 1 224.308 1.322 20 0 BDADMP C[C@@H]1C[C@H]1c1nnc([C@@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001217733296 971371487 /nfs/dbraw/zinc/37/14/87/971371487.db2.gz QJSISJHHAPAYCB-QNSHHTMESA-N 2 1 236.319 1.192 20 0 BDADMP C[C@@H]1C[C@@H]1c1nnc([C@@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001217733295 971372486 /nfs/dbraw/zinc/37/24/86/971372486.db2.gz QJSISJHHAPAYCB-JEZHCXPESA-N 2 1 236.319 1.192 20 0 BDADMP C[N@H+]1CCC[C@H](OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217832311 971427437 /nfs/dbraw/zinc/42/74/37/971427437.db2.gz NYUGRSFTLOCVEU-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CCC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217829036 971423998 /nfs/dbraw/zinc/42/39/98/971423998.db2.gz DUVFLWFYKBGLAY-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@H](NC=[NH2+])C[N@H+]1Cc1ccccc1 ZINC001171726004 974142291 /nfs/dbraw/zinc/14/22/91/974142291.db2.gz REHHBMWYLDEBIP-YPMHNXCESA-N 2 1 217.316 1.846 20 0 BDADMP [NH3+]CC1([NH2+]C2CCC3(COC3)CC2)CC1 ZINC001257904358 971532874 /nfs/dbraw/zinc/53/28/74/971532874.db2.gz UHGDEAVQIDFZET-UHFFFAOYSA-N 2 1 210.321 1.027 20 0 BDADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001258051413 971575543 /nfs/dbraw/zinc/57/55/43/971575543.db2.gz KGUHQZLPOSSGHJ-QWHCGFSZSA-N 2 1 230.396 1.700 20 0 BDADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001258051413 971575548 /nfs/dbraw/zinc/57/55/48/971575548.db2.gz KGUHQZLPOSSGHJ-QWHCGFSZSA-N 2 1 230.396 1.700 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)o1 ZINC001206156768 974330589 /nfs/dbraw/zinc/33/05/89/974330589.db2.gz SPQTWDVJSCKKJV-VXGBXAGGSA-N 2 1 226.295 1.849 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)o1 ZINC001206156768 974330595 /nfs/dbraw/zinc/33/05/95/974330595.db2.gz SPQTWDVJSCKKJV-VXGBXAGGSA-N 2 1 226.295 1.849 20 0 BDADMP CC1(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)CCOCC1 ZINC001206155621 974334642 /nfs/dbraw/zinc/33/46/42/974334642.db2.gz MVDXMXYAKQUMOZ-NWDGAFQWSA-N 2 1 244.354 1.564 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCOCC1 ZINC001206155621 974334656 /nfs/dbraw/zinc/33/46/56/974334656.db2.gz MVDXMXYAKQUMOZ-NWDGAFQWSA-N 2 1 244.354 1.564 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCOCC1 ZINC001206155621 974334668 /nfs/dbraw/zinc/33/46/68/974334668.db2.gz MVDXMXYAKQUMOZ-NWDGAFQWSA-N 2 1 244.354 1.564 20 0 BDADMP C[NH+](C)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099473 974339700 /nfs/dbraw/zinc/33/97/00/974339700.db2.gz IGCUJBNSOKVXGQ-CLLJXQQHSA-N 2 1 225.380 1.153 20 0 BDADMP CN(C)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099473 974339712 /nfs/dbraw/zinc/33/97/12/974339712.db2.gz IGCUJBNSOKVXGQ-CLLJXQQHSA-N 2 1 225.380 1.153 20 0 BDADMP CN(C)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099473 974339722 /nfs/dbraw/zinc/33/97/22/974339722.db2.gz IGCUJBNSOKVXGQ-CLLJXQQHSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729755 971671258 /nfs/dbraw/zinc/67/12/58/971671258.db2.gz GJDWLBIQLYBQJX-KKOKHZNYSA-N 2 1 210.365 1.948 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCCOCC1 ZINC001170776843 971805562 /nfs/dbraw/zinc/80/55/62/971805562.db2.gz VYNPMDMUFUXPNL-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309918351 971880915 /nfs/dbraw/zinc/88/09/15/971880915.db2.gz PLIWBFHGYQGLHM-DZGCQCFKSA-N 2 1 247.386 1.540 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000217893527 971897064 /nfs/dbraw/zinc/89/70/64/971897064.db2.gz PAQBVEORWNXWGZ-ZDUSSCGKSA-N 3 1 241.423 1.648 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000217893527 971897067 /nfs/dbraw/zinc/89/70/67/971897067.db2.gz PAQBVEORWNXWGZ-ZDUSSCGKSA-N 3 1 241.423 1.648 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC000311235058 971993785 /nfs/dbraw/zinc/99/37/85/971993785.db2.gz SRVLNQSRZULABU-GFCCVEGCSA-N 2 1 249.358 1.656 20 0 BDADMP Cc1nc2cc(N[C@H]([NH3+])CCC[NH3+])ccc2[nH]1 ZINC001170898578 972062150 /nfs/dbraw/zinc/06/21/50/972062150.db2.gz FIUUCYZHGRQAHV-LBPRGKRZSA-N 2 1 233.319 1.307 20 0 BDADMP Cc1cc2nccn2cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899876 972066298 /nfs/dbraw/zinc/06/62/98/972066298.db2.gz MVPAXPVQXVRJLV-LLVKDONJSA-N 2 1 233.319 1.078 20 0 BDADMP N[C@@H](CCC[NH3+])Nc1cccc(C2=[NH+]CCC2)c1 ZINC001170903227 972074623 /nfs/dbraw/zinc/07/46/23/972074623.db2.gz IBRSQPJKRKLAHC-CQSZACIVSA-N 2 1 246.358 1.705 20 0 BDADMP Cn1ccc2c1nccc2N[C@H]([NH3+])CCC[NH3+] ZINC001170906531 972083917 /nfs/dbraw/zinc/08/39/17/972083917.db2.gz WYUOGXJHNVNFPZ-NSHDSACASA-N 2 1 233.319 1.009 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccco2)CC[NH2+]1 ZINC001246080838 972137087 /nfs/dbraw/zinc/13/70/87/972137087.db2.gz KRZPIPJLKWKJAH-GMTAPVOTSA-N 2 1 224.304 1.043 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(F)CC2)C[NH2+]1 ZINC001246082321 972140111 /nfs/dbraw/zinc/14/01/11/972140111.db2.gz QWRJDCKIRPCZBS-YYJSSNLHSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106683 972170883 /nfs/dbraw/zinc/17/08/83/972170883.db2.gz DXKKBSVZILMTNH-QSLWVIQJSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246119627 972185804 /nfs/dbraw/zinc/18/58/04/972185804.db2.gz WRTCEFPMHBYMRI-NDBYEHHHSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)C[NH2+]1 ZINC001246184489 972210886 /nfs/dbraw/zinc/21/08/86/972210886.db2.gz SKZLXBOEAFBPBA-UPJWGTAASA-N 3 1 237.391 1.106 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246206338 972216744 /nfs/dbraw/zinc/21/67/44/972216744.db2.gz ZOJJTMRIYMXDII-NZEXEKPDSA-N 3 1 225.380 1.375 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000396497711 956890258 /nfs/dbraw/zinc/89/02/58/956890258.db2.gz OZROOOKYRNNQMJ-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP CCCCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383169922 956899576 /nfs/dbraw/zinc/89/95/76/956899576.db2.gz NNEXKPXWSGSFRO-YHQUGGNUSA-N 2 1 238.375 1.389 20 0 BDADMP COC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208609110 957101336 /nfs/dbraw/zinc/10/13/36/957101336.db2.gz YCUMBRMOQPIPIL-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208609110 957101355 /nfs/dbraw/zinc/10/13/55/957101355.db2.gz YCUMBRMOQPIPIL-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208609110 957101366 /nfs/dbraw/zinc/10/13/66/957101366.db2.gz YCUMBRMOQPIPIL-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@]23CCOC3)C1 ZINC001208613886 957100897 /nfs/dbraw/zinc/10/08/97/957100897.db2.gz ASXIBBCXNAROPT-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@]23CCOC3)C1 ZINC001208613886 957100910 /nfs/dbraw/zinc/10/09/10/957100910.db2.gz ASXIBBCXNAROPT-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@]23CCOC3)C1 ZINC001208613886 957100926 /nfs/dbraw/zinc/10/09/26/957100926.db2.gz ASXIBBCXNAROPT-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@]23CCOC3)C1 ZINC001208613886 957100939 /nfs/dbraw/zinc/10/09/39/957100939.db2.gz ASXIBBCXNAROPT-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccnn3)C2)CC1 ZINC001139971242 957176451 /nfs/dbraw/zinc/17/64/51/957176451.db2.gz DTADGIJWYWYFKD-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP CC1(C)OCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CO1 ZINC001246243570 972248714 /nfs/dbraw/zinc/24/87/14/972248714.db2.gz IYDCFPSCLREISJ-ZACCUICWSA-N 2 1 240.347 1.011 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CCCC1OCCO1 ZINC001209303474 957392737 /nfs/dbraw/zinc/39/27/37/957392737.db2.gz JYYOZDQAIDDLFS-UHFFFAOYSA-N 2 1 230.352 1.023 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2(c3cccnc3)CC2)CC[NH2+]1 ZINC001246300740 972263622 /nfs/dbraw/zinc/26/36/22/972263622.db2.gz SHCQOWPXIAGAHR-DGCLKSJQSA-N 2 1 231.343 1.801 20 0 BDADMP CCOC(C)(C)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000705653229 957398492 /nfs/dbraw/zinc/39/84/92/957398492.db2.gz YRADGGXFFAGYTR-NSHDSACASA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)O1 ZINC000398094839 957513883 /nfs/dbraw/zinc/51/38/83/957513883.db2.gz POYAYHBTXNPRAF-WRWGMCAJSA-N 2 1 212.337 1.284 20 0 BDADMP C[N@H+]1CC[C@H](Nc2ccc([C@H]3CCC[NH2+]3)cn2)C1 ZINC001167270215 957611580 /nfs/dbraw/zinc/61/15/80/957611580.db2.gz NYCPWBWHDOFHHS-QWHCGFSZSA-N 2 1 246.358 1.622 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CN(c3ccccn3)C2)CC[NH2+]1 ZINC001246368126 972304372 /nfs/dbraw/zinc/30/43/72/972304372.db2.gz NXNYSSFWVZDFNW-VXGBXAGGSA-N 2 1 246.358 1.000 20 0 BDADMP Cc1cccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH3+])c1C ZINC001221314209 972313805 /nfs/dbraw/zinc/31/38/05/972313805.db2.gz NALGBRRRCFWORP-YPMHNXCESA-N 2 1 249.358 1.157 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(N)n1 ZINC001347989495 958238194 /nfs/dbraw/zinc/23/81/94/958238194.db2.gz DGUSEYRFMJQVMK-VHSXEESVSA-N 2 1 235.335 1.344 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2cccc(N)c2)C[NH2+]1 ZINC001246463561 972335509 /nfs/dbraw/zinc/33/55/09/972335509.db2.gz FPEATHSUFPGFPN-SMDDNHRTSA-N 2 1 233.359 1.541 20 0 BDADMP C[C@@H]1CC[C@H](N[C@]2(C)CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246464688 972340836 /nfs/dbraw/zinc/34/08/36/972340836.db2.gz SNIAJACDFCIFSS-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000398957814 958454516 /nfs/dbraw/zinc/45/45/16/958454516.db2.gz JRCLRRHULORGMN-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@@H]2CNCC[C@H]2F)CC1 ZINC001246488602 972353064 /nfs/dbraw/zinc/35/30/64/972353064.db2.gz KUYWNLLPHQYEOF-FIYWTHMPSA-N 2 1 243.370 1.149 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399227183 958573973 /nfs/dbraw/zinc/57/39/73/958573973.db2.gz NOYWIERPOWEDMM-TZMCWYRMSA-N 2 1 248.370 1.968 20 0 BDADMP CCC(CC)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081215 972360066 /nfs/dbraw/zinc/36/00/66/972360066.db2.gz VRIVKWGQVFXGNY-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP CC(C)CC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081699 972360694 /nfs/dbraw/zinc/36/06/94/972360694.db2.gz ZTVNQIUVQVLACC-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP NCC[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222109874 972370931 /nfs/dbraw/zinc/37/09/31/972370931.db2.gz QORGFZJADOGVMX-UHFFFAOYSA-N 2 1 239.407 1.581 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000693585285 958889447 /nfs/dbraw/zinc/88/94/47/958889447.db2.gz LEYVNWCMDSOSHV-YFKTTZPYSA-N 2 1 212.337 1.223 20 0 BDADMP OCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155291 972397948 /nfs/dbraw/zinc/39/79/48/972397948.db2.gz ZHPAAIMLQFNGAW-CYBMUJFWSA-N 2 1 226.364 1.225 20 0 BDADMP CC(=O)CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001167629984 959136856 /nfs/dbraw/zinc/13/68/56/959136856.db2.gz QKIDFHVBYPQUCQ-UHFFFAOYSA-N 2 1 244.298 1.022 20 0 BDADMP CCOCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172409623 974670667 /nfs/dbraw/zinc/67/06/67/974670667.db2.gz XWMGVRGVPDSLDH-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CCC[NH2+]C1 ZINC000724810875 959317607 /nfs/dbraw/zinc/31/76/07/959317607.db2.gz KRVZENSTFZWRSZ-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724811037 959319176 /nfs/dbraw/zinc/31/91/76/959319176.db2.gz IMAYXLZHWRWIMN-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP O=c1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc[nH]1 ZINC001222237679 972420035 /nfs/dbraw/zinc/42/00/35/972420035.db2.gz PWUMSUZOENZLMA-CQSZACIVSA-N 2 1 247.342 1.505 20 0 BDADMP O=c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc[nH]1 ZINC001222237679 972420040 /nfs/dbraw/zinc/42/00/40/972420040.db2.gz PWUMSUZOENZLMA-CQSZACIVSA-N 2 1 247.342 1.505 20 0 BDADMP COCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238022 972420192 /nfs/dbraw/zinc/42/01/92/972420192.db2.gz YOJGCWQAEWHHAH-CYBMUJFWSA-N 2 1 226.364 1.631 20 0 BDADMP Nc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222254562 972424612 /nfs/dbraw/zinc/42/46/12/972424612.db2.gz ZWSRODJSXCBMSF-OAHLLOKOSA-N 2 1 245.370 1.987 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222254562 972424614 /nfs/dbraw/zinc/42/46/14/972424614.db2.gz ZWSRODJSXCBMSF-OAHLLOKOSA-N 2 1 245.370 1.987 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCc3ncsc3C2)C1 ZINC001246528829 972425073 /nfs/dbraw/zinc/42/50/73/972425073.db2.gz IGPKMIWGYMVTRK-SKDRFNHKSA-N 2 1 237.372 1.424 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCc3ncsc3C2)C1 ZINC001246528829 972425093 /nfs/dbraw/zinc/42/50/93/972425093.db2.gz IGPKMIWGYMVTRK-SKDRFNHKSA-N 2 1 237.372 1.424 20 0 BDADMP C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[N@@H+](C)C1CC1 ZINC000405238374 959424339 /nfs/dbraw/zinc/42/43/39/959424339.db2.gz VBHCKBJEIZUSPJ-RAIGVLPGSA-N 2 1 237.391 1.329 20 0 BDADMP CCSC[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246530864 972436745 /nfs/dbraw/zinc/43/67/45/972436745.db2.gz OOWWVOZOEHXRQF-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP CCSC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246530864 972436757 /nfs/dbraw/zinc/43/67/57/972436757.db2.gz OOWWVOZOEHXRQF-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP OCCCCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222307962 972437963 /nfs/dbraw/zinc/43/79/63/972437963.db2.gz CVNLLSUKCKJKMO-AWEZNQCLSA-N 2 1 240.391 1.757 20 0 BDADMP COc1cccc(N)c1NC(=[NH2+])SCC[NH3+] ZINC001167913258 959602895 /nfs/dbraw/zinc/60/28/95/959602895.db2.gz WIFUXDWLZNNING-UHFFFAOYSA-N 2 1 240.332 1.316 20 0 BDADMP C[C@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000708873296 959995280 /nfs/dbraw/zinc/99/52/80/959995280.db2.gz ZUADBSPECOFXHU-GXSJLCMTSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000708873296 959995290 /nfs/dbraw/zinc/99/52/90/959995290.db2.gz ZUADBSPECOFXHU-GXSJLCMTSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@@]1(C)O ZINC001207436524 960089164 /nfs/dbraw/zinc/08/91/64/960089164.db2.gz MMBYHJHGQOUPOA-TZMCWYRMSA-N 2 1 240.391 1.469 20 0 BDADMP O=C1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001207442904 960133035 /nfs/dbraw/zinc/13/30/35/960133035.db2.gz IIOZDHYAHTZYJL-STQMWFEESA-N 2 1 236.359 1.287 20 0 BDADMP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000689794476 960368928 /nfs/dbraw/zinc/36/89/28/960368928.db2.gz OICNBKSSDJRGNQ-GXTWGEPZSA-N 2 1 238.375 1.653 20 0 BDADMP O[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@H]1F ZINC001140802263 960585857 /nfs/dbraw/zinc/58/58/57/960585857.db2.gz SOHRXFSNNYXXIN-AAEUAGOBSA-N 2 1 249.289 1.468 20 0 BDADMP O[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@H]1F ZINC001140802263 960585860 /nfs/dbraw/zinc/58/58/60/960585860.db2.gz SOHRXFSNNYXXIN-AAEUAGOBSA-N 2 1 249.289 1.468 20 0 BDADMP CCCCC[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491638 972516384 /nfs/dbraw/zinc/51/63/84/972516384.db2.gz FYOLOFHGTNNLCR-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(O)CC2)CC[NH2+]1 ZINC000709492792 960628668 /nfs/dbraw/zinc/62/86/68/960628668.db2.gz CPLOXASMGQDDCM-JHJVBQTASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925725659 960820793 /nfs/dbraw/zinc/82/07/93/960820793.db2.gz MIAWHRAPTPDJAD-FDYHWXHSSA-N 3 1 225.380 1.234 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001141053713 960844212 /nfs/dbraw/zinc/84/42/12/960844212.db2.gz MPIHHXMJFLKZGL-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000423279188 960859204 /nfs/dbraw/zinc/85/92/04/960859204.db2.gz RRLUFBWKGWRYON-MNOVXSKESA-N 2 1 222.336 1.360 20 0 BDADMP c1n[nH]c2c1[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423487682 960882569 /nfs/dbraw/zinc/88/25/69/960882569.db2.gz UNXHTFODMZRDPS-WCQYABFASA-N 2 1 248.374 1.909 20 0 BDADMP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000925771255 961063840 /nfs/dbraw/zinc/06/38/40/961063840.db2.gz AKDDISPIAOTPLU-BSOLPCOYSA-N 2 1 222.376 1.866 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000724388428 961365482 /nfs/dbraw/zinc/36/54/82/961365482.db2.gz JXABGDJTPCDKSJ-UJPOAAIJSA-N 2 1 226.364 1.469 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000710302514 962360060 /nfs/dbraw/zinc/36/00/60/962360060.db2.gz GXZMRZJRDVRPDL-BXUZGUMPSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000710302514 962360048 /nfs/dbraw/zinc/36/00/48/962360048.db2.gz GXZMRZJRDVRPDL-BXUZGUMPSA-N 2 1 240.391 1.610 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167952380 962706602 /nfs/dbraw/zinc/70/66/02/962706602.db2.gz OLJDGVWOFUPCCQ-ZSBIGDGJSA-N 2 1 217.316 1.540 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+]([C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167952380 962706610 /nfs/dbraw/zinc/70/66/10/962706610.db2.gz OLJDGVWOFUPCCQ-ZSBIGDGJSA-N 2 1 217.316 1.540 20 0 BDADMP Nc1nc(N[C@@H]2C[NH2+]Cc3ccsc32)cc[nH+]1 ZINC001155565274 963108976 /nfs/dbraw/zinc/10/89/76/963108976.db2.gz MHPCTPXKESJSDC-MRVPVSSYSA-N 2 1 247.327 1.377 20 0 BDADMP Nc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]c1 ZINC001155583785 963117046 /nfs/dbraw/zinc/11/70/46/963117046.db2.gz RFCDWCTWYQGBSE-MIMYLULJSA-N 2 1 218.304 1.074 20 0 BDADMP COc1cc2[nH+]ccn2cc1NCC[NH+](C)C ZINC001161671248 963119943 /nfs/dbraw/zinc/11/99/43/963119943.db2.gz MGDPSTMWXXDPHK-UHFFFAOYSA-N 2 1 234.303 1.316 20 0 BDADMP Cc1c[nH+]c(N(C)C2CC[NH2+]CC2)c(C)c1 ZINC001156171575 963273567 /nfs/dbraw/zinc/27/35/67/963273567.db2.gz DLMPRKQXOHSDHI-UHFFFAOYSA-N 2 1 219.332 1.887 20 0 BDADMP C[N@@H+]1CCC[C@@H](CCNc2cc[nH+]c(N)n2)C1 ZINC001156389737 963333152 /nfs/dbraw/zinc/33/31/52/963333152.db2.gz RFEZMNVWIYDDNW-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2cc[nH+]c(N)n2)C1 ZINC001156389737 963333171 /nfs/dbraw/zinc/33/31/71/963333171.db2.gz RFEZMNVWIYDDNW-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP Cc1c[nH+]c(NCc2ccc(N)[nH+]c2C)cc1N ZINC001156981448 963506118 /nfs/dbraw/zinc/50/61/18/963506118.db2.gz VAABXLVHZBJTFA-UHFFFAOYSA-N 2 1 243.314 1.870 20 0 BDADMP C[C@]1([NH3+])CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001204782796 963541043 /nfs/dbraw/zinc/54/10/43/963541043.db2.gz JJBADSZHUAJPBK-ZDUSSCGKSA-N 2 1 230.315 1.486 20 0 BDADMP C[C@H](C[NH+](C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000714003610 963572995 /nfs/dbraw/zinc/57/29/95/963572995.db2.gz WKQZYDKUPPMYIT-RLAWYHOSSA-N 2 1 239.407 1.541 20 0 BDADMP C[N@H+](CC1=CCCOC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000696927770 963584244 /nfs/dbraw/zinc/58/42/44/963584244.db2.gz DVDXEJCPCHAGLX-YPMHNXCESA-N 2 1 224.348 1.392 20 0 BDADMP CC[N@H+]1CCN(c2cc(N)cc[nH+]2)C(C)(C)C1 ZINC001158560454 963886088 /nfs/dbraw/zinc/88/60/88/963886088.db2.gz CHDISNKRPAXUIS-UHFFFAOYSA-N 2 1 234.347 1.584 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(NCC[C@H]3CCC[NH2+]3)c12 ZINC001158628961 963897990 /nfs/dbraw/zinc/89/79/90/963897990.db2.gz RXVGUJOXCYGRMI-SNVBAGLBSA-N 2 1 245.330 1.772 20 0 BDADMP F[C@@H]1CC[NH2+]C[C@@H]1Nc1cccn2cc[nH+]c12 ZINC001168227065 964006286 /nfs/dbraw/zinc/00/62/86/964006286.db2.gz LDFZZPIQGZHJSE-KOLCDFICSA-N 2 1 234.278 1.446 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C)C[C@@H](C)C[NH3+])C2 ZINC001168245323 964052562 /nfs/dbraw/zinc/05/25/62/964052562.db2.gz WRQWEKDRFNNRFM-FZMZJTMJSA-N 2 1 248.370 1.689 20 0 BDADMP Cc1cccc2[nH+]cc(NC3=CCC[NH2+]C3)n21 ZINC001159364588 964069659 /nfs/dbraw/zinc/06/96/59/964069659.db2.gz TXZCJSYNKHPVDZ-UHFFFAOYSA-N 2 1 228.299 1.932 20 0 BDADMP Nc1cccc(Nc2ccc(C[NH3+])nc2)[nH+]1 ZINC001160402596 964299425 /nfs/dbraw/zinc/29/94/25/964299425.db2.gz WUWGGXNCYQDZLP-UHFFFAOYSA-N 2 1 215.260 1.261 20 0 BDADMP Cc1c(N)cc[nH+]c1NC1C[NH+](C(C)C)C1 ZINC001168311574 964409920 /nfs/dbraw/zinc/40/99/20/964409920.db2.gz BXTAOQFCVIHJOH-UHFFFAOYSA-N 2 1 220.320 1.477 20 0 BDADMP C[C@@H]1COCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315366 964426446 /nfs/dbraw/zinc/42/64/46/964426446.db2.gz VJZZLEZXJHJYBL-HSBZDZAISA-N 2 1 240.391 1.828 20 0 BDADMP CCOC(=O)C[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168319078 964437183 /nfs/dbraw/zinc/43/71/83/964437183.db2.gz NQOBSDFYSQHSOG-UHFFFAOYSA-N 2 1 242.363 1.354 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001168328785 964459427 /nfs/dbraw/zinc/45/94/27/964459427.db2.gz KGXCGEGYZBTPBI-TUUUFIMRSA-N 2 1 224.348 1.332 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328429 964459016 /nfs/dbraw/zinc/45/90/16/964459016.db2.gz GARQGBIUECRLLI-IYXRBSQSSA-N 2 1 238.375 1.770 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]23CCOC3)CC1 ZINC001168331127 964463783 /nfs/dbraw/zinc/46/37/83/964463783.db2.gz ZOPRGMXLARKZNN-RUXDESIVSA-N 2 1 238.375 1.724 20 0 BDADMP [NH3+]C/C=C/CNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001160982868 964469413 /nfs/dbraw/zinc/46/94/13/964469413.db2.gz SCSQIMYFEXJKBA-OWOJBTEDSA-N 2 1 242.326 1.978 20 0 BDADMP O=C1CC(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168357512 964520259 /nfs/dbraw/zinc/52/02/59/964520259.db2.gz DTIBDSABWKVUIC-UHFFFAOYSA-N 2 1 236.359 1.430 20 0 BDADMP Cc1ncsc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697887054 964633684 /nfs/dbraw/zinc/63/36/84/964633684.db2.gz KFJXJVFLLVIPGB-VIFPVBQESA-N 2 1 227.377 1.881 20 0 BDADMP CC(C)CNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001161644721 964658921 /nfs/dbraw/zinc/65/89/21/964658921.db2.gz HOZMQVYDHALZQP-UHFFFAOYSA-N 2 1 234.347 1.559 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](Nc2nc3[nH]ccc3c[nH+]2)C1 ZINC001162394418 964957004 /nfs/dbraw/zinc/95/70/04/964957004.db2.gz ZMQVYRAGOTWEQK-ZJUUUORDSA-N 2 1 231.303 1.591 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](Nc2nc3[nH]ccc3c[nH+]2)C1 ZINC001162394415 964957277 /nfs/dbraw/zinc/95/72/77/964957277.db2.gz ZMQVYRAGOTWEQK-NXEZZACHSA-N 2 1 231.303 1.591 20 0 BDADMP Cn1c([NH2+][C@H]2CCC[C@H]([NH3+])C2)cccc1=O ZINC001162402542 964963992 /nfs/dbraw/zinc/96/39/92/964963992.db2.gz UAELYCCULJSBRI-UWVGGRQHSA-N 2 1 221.304 1.067 20 0 BDADMP C1=C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000698205075 965108330 /nfs/dbraw/zinc/10/83/30/965108330.db2.gz NMYDZAAWFJFNCH-RWMBFGLXSA-N 2 1 206.333 1.921 20 0 BDADMP CCc1ccc[nH+]c1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163102662 965258007 /nfs/dbraw/zinc/25/80/07/965258007.db2.gz YSXBFIIWUQOHMF-JHJVBQTASA-N 2 1 247.342 1.290 20 0 BDADMP Cc1ccc[nH+]c1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163305473 965327368 /nfs/dbraw/zinc/32/73/68/965327368.db2.gz MSJURDZURFKSAS-GXTWGEPZSA-N 2 1 247.342 1.713 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](Nc2cc[nH+]c(N)n2)[C@@H](C)C1 ZINC001163365120 965371762 /nfs/dbraw/zinc/37/17/62/965371762.db2.gz HKZQBCFOZJCNLZ-QWRGUYRKSA-N 2 1 249.362 1.590 20 0 BDADMP CC(C)[N@H+]1CC[C@H](Nc2cc[nH+]c(N)n2)[C@@H](C)C1 ZINC001163365120 965371774 /nfs/dbraw/zinc/37/17/74/965371774.db2.gz HKZQBCFOZJCNLZ-QWRGUYRKSA-N 2 1 249.362 1.590 20 0 BDADMP CC[N@H+]1CCCN(c2ncc(C)cc2C[NH3+])CC1 ZINC001163776202 965583671 /nfs/dbraw/zinc/58/36/71/965583671.db2.gz LMVYODRXMPSTPI-UHFFFAOYSA-N 2 1 248.374 1.381 20 0 BDADMP Cc1[nH+]ccn1CCNc1ccc(C)c(N)[nH+]1 ZINC001163920105 965634203 /nfs/dbraw/zinc/63/42/03/965634203.db2.gz QNHLGQBQBDRJHN-UHFFFAOYSA-N 2 1 231.303 1.589 20 0 BDADMP Cc1[nH+]ccn1CCNc1ccc([C@H](C)[NH3+])nc1 ZINC001163933005 965645352 /nfs/dbraw/zinc/64/53/52/965645352.db2.gz JFCOUVOFCWTAHS-JTQLQIEISA-N 2 1 245.330 1.718 20 0 BDADMP Cc1cc(C)[nH+]c(N2CC([NH+](C)C)C2)c1 ZINC001163932289 965646004 /nfs/dbraw/zinc/64/60/04/965646004.db2.gz LQARTVHYFMWJPB-UHFFFAOYSA-N 2 1 205.305 1.449 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205094775 965731959 /nfs/dbraw/zinc/73/19/59/965731959.db2.gz PCLWHSYQPRABPZ-LLVKDONJSA-N 2 1 208.305 1.901 20 0 BDADMP COc1cc[nH+]cc1N(CCC[NH3+])C(C)C ZINC001164122464 965741730 /nfs/dbraw/zinc/74/17/30/965741730.db2.gz DPSDYTWEDUBOSH-UHFFFAOYSA-N 2 1 223.320 1.654 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095599 965753801 /nfs/dbraw/zinc/75/38/01/965753801.db2.gz ZYVHNDSBKBYGKP-LBPRGKRZSA-N 2 1 222.336 1.042 20 0 BDADMP COC(=O)C(C)(C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715178299 965773070 /nfs/dbraw/zinc/77/30/70/965773070.db2.gz YMCNEGLHIHNOOQ-UHFFFAOYSA-N 2 1 242.363 1.400 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699208760 965814188 /nfs/dbraw/zinc/81/41/88/965814188.db2.gz GMWOOYSUSXDVQJ-WTUNAVPPSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1ncn(C)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116591 965865502 /nfs/dbraw/zinc/86/55/02/965865502.db2.gz DJMBTZQXJHRMNL-LLVKDONJSA-N 2 1 222.336 1.042 20 0 BDADMP Cc1ncn(C)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116591 965865496 /nfs/dbraw/zinc/86/54/96/965865496.db2.gz DJMBTZQXJHRMNL-LLVKDONJSA-N 2 1 222.336 1.042 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]([N@H+](C)C3CC3)C2)c(C)[nH+]1 ZINC001234655625 965870966 /nfs/dbraw/zinc/87/09/66/965870966.db2.gz SYUKEIXVJDXCHC-ZDUSSCGKSA-N 2 1 248.374 1.695 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]([N@@H+](C)C3CC3)C2)c(C)[nH+]1 ZINC001234655625 965870971 /nfs/dbraw/zinc/87/09/71/965870971.db2.gz SYUKEIXVJDXCHC-ZDUSSCGKSA-N 2 1 248.374 1.695 20 0 BDADMP CCn1cncc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123520 965884481 /nfs/dbraw/zinc/88/44/81/965884481.db2.gz BUCMSDGXFJOOFU-LLVKDONJSA-N 2 1 222.336 1.216 20 0 BDADMP CCn1cncc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123520 965884493 /nfs/dbraw/zinc/88/44/93/965884493.db2.gz BUCMSDGXFJOOFU-LLVKDONJSA-N 2 1 222.336 1.216 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000699532181 965940718 /nfs/dbraw/zinc/94/07/18/965940718.db2.gz KYJRUOVWQXZHEH-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000699529044 965942563 /nfs/dbraw/zinc/94/25/63/965942563.db2.gz ABGFJNWIVJOOBN-LOWDOPEQSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000699529044 965942577 /nfs/dbraw/zinc/94/25/77/965942577.db2.gz ABGFJNWIVJOOBN-LOWDOPEQSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000699528295 965944161 /nfs/dbraw/zinc/94/41/61/965944161.db2.gz XUMFEUQOCWCBQK-NEPJUHHUSA-N 2 1 223.320 1.206 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC000715227468 965978386 /nfs/dbraw/zinc/97/83/86/965978386.db2.gz LGLGJSWAGBIEQB-BPCQOVAHSA-N 3 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CC[C@](C)(N)C2)CC1 ZINC000715227468 965978399 /nfs/dbraw/zinc/97/83/99/965978399.db2.gz LGLGJSWAGBIEQB-BPCQOVAHSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@](C)(N)C2)CC1 ZINC000715227468 965978417 /nfs/dbraw/zinc/97/84/17/965978417.db2.gz LGLGJSWAGBIEQB-BPCQOVAHSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC(N2CC[C@](C)([NH3+])C2)CC1 ZINC000715227468 965978427 /nfs/dbraw/zinc/97/84/27/965978427.db2.gz LGLGJSWAGBIEQB-BPCQOVAHSA-N 2 1 225.380 1.282 20 0 BDADMP CC(C)[N@@H+]1CCN(c2cccc(N)[nH+]2)C[C@H]1C ZINC001165199356 965983450 /nfs/dbraw/zinc/98/34/50/965983450.db2.gz RETABCGYZCAXID-LLVKDONJSA-N 2 1 234.347 1.583 20 0 BDADMP CC(C)[N@H+]1CCN(c2cccc(N)[nH+]2)C[C@H]1C ZINC001165199356 965983457 /nfs/dbraw/zinc/98/34/57/965983457.db2.gz RETABCGYZCAXID-LLVKDONJSA-N 2 1 234.347 1.583 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000699606685 966004783 /nfs/dbraw/zinc/00/47/83/966004783.db2.gz RYZXXRGCWRAUMK-STQMWFEESA-N 2 1 237.347 1.596 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000699742071 966052863 /nfs/dbraw/zinc/05/28/63/966052863.db2.gz KUNPUXJKZQZATL-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000699742073 966055039 /nfs/dbraw/zinc/05/50/39/966055039.db2.gz KUNPUXJKZQZATL-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[C@@H]1CNCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001235457857 966062714 /nfs/dbraw/zinc/06/27/14/966062714.db2.gz HWYDZNXNEDTLSO-HNNXBMFYSA-N 2 1 247.386 1.575 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001235457857 966062734 /nfs/dbraw/zinc/06/27/34/966062734.db2.gz HWYDZNXNEDTLSO-HNNXBMFYSA-N 2 1 247.386 1.575 20 0 BDADMP Cc1ccc2cc[nH+]c(N3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)c2c1 ZINC001165382681 966070421 /nfs/dbraw/zinc/07/04/21/966070421.db2.gz CPQINGLTZOGKPJ-BTTYYORXSA-N 2 1 239.322 1.937 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCNC1 ZINC001236003768 966222314 /nfs/dbraw/zinc/22/23/14/966222314.db2.gz AKQGAKXCUWADOP-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCNC1 ZINC001236003768 966222307 /nfs/dbraw/zinc/22/23/07/966222307.db2.gz AKQGAKXCUWADOP-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1N ZINC001236210345 966309699 /nfs/dbraw/zinc/30/96/99/966309699.db2.gz CDJLSRFWNFBDHS-CHWSQXEVSA-N 2 1 225.380 1.188 20 0 BDADMP CCc1[nH]c(CN2CC[NH+]3CCC2CC3)c(C)[nH+]1 ZINC001203247201 966583993 /nfs/dbraw/zinc/58/39/93/966583993.db2.gz VAWIZZCLQONZRH-UHFFFAOYSA-N 2 1 248.374 1.561 20 0 BDADMP [NH3+]CCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380772 966653056 /nfs/dbraw/zinc/65/30/56/966653056.db2.gz HKRUKVNEITXBOX-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380772 966653070 /nfs/dbraw/zinc/65/30/70/966653070.db2.gz HKRUKVNEITXBOX-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)CC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210815 966848455 /nfs/dbraw/zinc/84/84/55/966848455.db2.gz RLXMKBFVHICSRU-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001204104806 966893712 /nfs/dbraw/zinc/89/37/12/966893712.db2.gz SMHJHLATYGNZJF-LBPRGKRZSA-N 2 1 238.379 1.630 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]2C1 ZINC001204242090 966934670 /nfs/dbraw/zinc/93/46/70/966934670.db2.gz SSVNHZXCVQCARH-OLZOCXBDSA-N 2 1 220.316 1.663 20 0 BDADMP Cc1c[nH+]ccc1Nc1c[nH+]c(N)c(C)c1 ZINC001249778462 967053424 /nfs/dbraw/zinc/05/34/24/967053424.db2.gz GQODCDCJLUTMMR-UHFFFAOYSA-N 2 1 214.272 1.841 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001204763455 967156128 /nfs/dbraw/zinc/15/61/28/967156128.db2.gz LDTYMRDUOLSFMW-AAEUAGOBSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(N)[nH+]cn2)C1 ZINC000715569792 967182091 /nfs/dbraw/zinc/18/20/91/967182091.db2.gz HQPUOEOYNCVCOV-NXEZZACHSA-N 2 1 235.335 1.344 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(N)nc[nH+]2)C1 ZINC000715569792 967182094 /nfs/dbraw/zinc/18/20/94/967182094.db2.gz HQPUOEOYNCVCOV-NXEZZACHSA-N 2 1 235.335 1.344 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001205101677 967344167 /nfs/dbraw/zinc/34/41/67/967344167.db2.gz IWKVOAAPKIHFGB-CYBMUJFWSA-N 2 1 244.342 1.876 20 0 BDADMP CCCn1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205102644 967346854 /nfs/dbraw/zinc/34/68/54/967346854.db2.gz VCIBOGDRNMEKPL-ZDUSSCGKSA-N 2 1 236.363 1.606 20 0 BDADMP CCCn1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205102644 967346859 /nfs/dbraw/zinc/34/68/59/967346859.db2.gz VCIBOGDRNMEKPL-ZDUSSCGKSA-N 2 1 236.363 1.606 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205101675 967349188 /nfs/dbraw/zinc/34/91/88/967349188.db2.gz IWFOETSWVWWAKJ-CYBMUJFWSA-N 2 1 236.363 1.777 20 0 BDADMP CC(C)n1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205101675 967349197 /nfs/dbraw/zinc/34/91/97/967349197.db2.gz IWFOETSWVWWAKJ-CYBMUJFWSA-N 2 1 236.363 1.777 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3ncccc3[nH]2)CC1 ZINC001205116970 967362576 /nfs/dbraw/zinc/36/25/76/967362576.db2.gz KEZQCTZBDZFWAC-NSHDSACASA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(CCO)cc2)CC1 ZINC001205116669 967367237 /nfs/dbraw/zinc/36/72/37/967367237.db2.gz GDGJJXYQFJKDTR-HNNXBMFYSA-N 2 1 248.370 1.535 20 0 BDADMP COc1cccc(CC[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205130838 967377465 /nfs/dbraw/zinc/37/74/65/967377465.db2.gz LPZNJVDKEZPWEC-GXTWGEPZSA-N 2 1 248.370 1.764 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc3ccnn32)C[C@H]1C[NH3+] ZINC001205136274 967379956 /nfs/dbraw/zinc/37/99/56/967379956.db2.gz UMDKWNABNROJAX-NWDGAFQWSA-N 2 1 244.342 1.361 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3ccnn32)C[C@H]1C[NH3+] ZINC001205136274 967379966 /nfs/dbraw/zinc/37/99/66/967379966.db2.gz UMDKWNABNROJAX-NWDGAFQWSA-N 2 1 244.342 1.361 20 0 BDADMP COc1ncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC001205136075 967384025 /nfs/dbraw/zinc/38/40/25/967384025.db2.gz KRPFQEKWJMQIQV-WCQYABFASA-N 2 1 249.358 1.425 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)C[C@H]1C[NH3+] ZINC001205146383 967387272 /nfs/dbraw/zinc/38/72/72/967387272.db2.gz SXFQUBZPMILTFD-CMPLNLGQSA-N 2 1 248.374 1.324 20 0 BDADMP Cc1cccc(CC[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205171464 967412468 /nfs/dbraw/zinc/41/24/68/967412468.db2.gz RTXIQWCWXISPFN-TZMCWYRMSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1cccc(CC[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205171464 967412474 /nfs/dbraw/zinc/41/24/74/967412474.db2.gz RTXIQWCWXISPFN-TZMCWYRMSA-N 2 1 218.344 1.959 20 0 BDADMP CC(C)(C)CC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209718 967427391 /nfs/dbraw/zinc/42/73/91/967427391.db2.gz KWAWSKKYXQEDMR-CYBMUJFWSA-N 2 1 228.380 1.598 20 0 BDADMP Cn1cnc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205266715 967456793 /nfs/dbraw/zinc/45/67/93/967456793.db2.gz WOITXRFNLAYMJK-LBPRGKRZSA-N 2 1 222.336 1.123 20 0 BDADMP Cn1cnc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205266715 967456798 /nfs/dbraw/zinc/45/67/98/967456798.db2.gz WOITXRFNLAYMJK-LBPRGKRZSA-N 2 1 222.336 1.123 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205266957 967457462 /nfs/dbraw/zinc/45/74/62/967457462.db2.gz YVZPBPJYROXUAG-GFCCVEGCSA-N 2 1 222.336 1.123 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265337 967459363 /nfs/dbraw/zinc/45/93/63/967459363.db2.gz PYNMHAPAQBPGTR-CYBMUJFWSA-N 2 1 236.363 1.432 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(F)n2)CC1 ZINC001205274330 967467744 /nfs/dbraw/zinc/46/77/44/967467744.db2.gz VKBBBFLAXQVYBG-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(F)n2)CC1 ZINC001205274330 967467745 /nfs/dbraw/zinc/46/77/45/967467745.db2.gz VKBBBFLAXQVYBG-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(N)n2)CC1 ZINC001205280949 967469732 /nfs/dbraw/zinc/46/97/32/967469732.db2.gz MVKSHNXDEPOEDO-CYBMUJFWSA-N 2 1 234.347 1.367 20 0 BDADMP CC1(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)COC1 ZINC001205539258 967678592 /nfs/dbraw/zinc/67/85/92/967678592.db2.gz VDNMZNCAODMYQK-LBPRGKRZSA-N 2 1 230.327 1.176 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205539158 967680390 /nfs/dbraw/zinc/68/03/90/967680390.db2.gz TUHGTSRYMVSCQT-LBPRGKRZSA-N 2 1 246.326 1.093 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cnccn2)CC1 ZINC001205546245 967689173 /nfs/dbraw/zinc/68/91/73/967689173.db2.gz SSHJWQFHNFBNPG-GFCCVEGCSA-N 2 1 238.310 1.130 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC001205546276 967692651 /nfs/dbraw/zinc/69/26/51/967692651.db2.gz TZXPQVNWTRCESM-LLVKDONJSA-N 2 1 226.299 1.063 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ncc[nH]2)CC1 ZINC001205546276 967692658 /nfs/dbraw/zinc/69/26/58/967692658.db2.gz TZXPQVNWTRCESM-LLVKDONJSA-N 2 1 226.299 1.063 20 0 BDADMP Cc1nc[nH]c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602802 967720656 /nfs/dbraw/zinc/72/06/56/967720656.db2.gz MPERNXQAPXPPTD-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2[O-])CC[C@H]1C[NH3+] ZINC001205627551 967736472 /nfs/dbraw/zinc/73/64/72/967736472.db2.gz QNFXYYLGRGMFIB-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ccncc2O)CC[C@H]1C[NH3+] ZINC001205627551 967736485 /nfs/dbraw/zinc/73/64/85/967736485.db2.gz QNFXYYLGRGMFIB-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2O)CC[C@H]1C[NH3+] ZINC001205627551 967736494 /nfs/dbraw/zinc/73/64/94/967736494.db2.gz QNFXYYLGRGMFIB-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@H+](Cc2csnn2)CC[C@H]1C[NH3+] ZINC001205627118 967737611 /nfs/dbraw/zinc/73/76/11/967737611.db2.gz MWISUDPDQWKZMG-UWVGGRQHSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2csnn2)CC[C@H]1C[NH3+] ZINC001205627118 967737625 /nfs/dbraw/zinc/73/76/25/967737625.db2.gz MWISUDPDQWKZMG-UWVGGRQHSA-N 2 1 240.376 1.345 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)o1 ZINC001205662578 967744787 /nfs/dbraw/zinc/74/47/87/967744787.db2.gz CJLVLAUZYVARCW-CYBMUJFWSA-N 2 1 238.331 1.264 20 0 BDADMP CC/C=C\CCC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664512 967747615 /nfs/dbraw/zinc/74/76/15/967747615.db2.gz NPVZZZZDCAUJQA-NQHOJNORSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001205057978 967859737 /nfs/dbraw/zinc/85/97/37/967859737.db2.gz BKUBADZTSPEVJX-STQMWFEESA-N 2 1 239.407 1.530 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1CC1(C)CC[NH+](C)CC1 ZINC001205057978 967859743 /nfs/dbraw/zinc/85/97/43/967859743.db2.gz BKUBADZTSPEVJX-STQMWFEESA-N 2 1 239.407 1.530 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903032 967878924 /nfs/dbraw/zinc/87/89/24/967878924.db2.gz NDRCOINVFWPWEK-CHWSQXEVSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(N)c1 ZINC001205916115 967884252 /nfs/dbraw/zinc/88/42/52/967884252.db2.gz RXFCOWLHLNUGNP-DGCLKSJQSA-N 2 1 233.359 1.828 20 0 BDADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205952804 967900276 /nfs/dbraw/zinc/90/02/76/967900276.db2.gz ARFPVQOXUBYBKF-ZIAGYGMSSA-N 2 1 234.343 1.197 20 0 BDADMP COCOCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205983090 967932656 /nfs/dbraw/zinc/93/26/56/967932656.db2.gz NQYKWOUKQVLNAG-STQMWFEESA-N 2 1 244.379 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCC[C@@H]1C[NH3+] ZINC001205991343 967941740 /nfs/dbraw/zinc/94/17/40/967941740.db2.gz ADSBEFSSLKJBFZ-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCC[C@H]1C[NH3+] ZINC001205985661 967943600 /nfs/dbraw/zinc/94/36/00/967943600.db2.gz ZKONAMMIJGWNKW-KBPBESRZSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CCC[C@@H]1C[NH3+] ZINC001205996162 967949682 /nfs/dbraw/zinc/94/96/82/967949682.db2.gz VOHAPINWGRKFRN-VXGBXAGGSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnoc2)CCC[C@H]1C[NH3+] ZINC001205996377 967950926 /nfs/dbraw/zinc/95/09/26/967950926.db2.gz WPTJUUYPYWGMND-PWSUYJOCSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2N)CCC[C@H]1C[NH3+] ZINC001206003237 967959350 /nfs/dbraw/zinc/95/93/50/967959350.db2.gz FYNABMKKXFYRSY-NEPJUHHUSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnn2)CCC[C@@H]1C[NH3+] ZINC001206005635 967961612 /nfs/dbraw/zinc/96/16/12/967961612.db2.gz YWMQSAJKMIVJPZ-VXGBXAGGSA-N 2 1 234.347 1.283 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)s1 ZINC001206167152 968098488 /nfs/dbraw/zinc/09/84/88/968098488.db2.gz XJHBWHMAMPGEAL-MNOVXSKESA-N 2 1 243.351 1.713 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)s1 ZINC001206167152 968098499 /nfs/dbraw/zinc/09/84/99/968098499.db2.gz XJHBWHMAMPGEAL-MNOVXSKESA-N 2 1 243.351 1.713 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206197210 968125535 /nfs/dbraw/zinc/12/55/35/968125535.db2.gz GUIDJZAQLBSWTO-QWRGUYRKSA-N 2 1 241.310 1.553 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206197210 968125548 /nfs/dbraw/zinc/12/55/48/968125548.db2.gz GUIDJZAQLBSWTO-QWRGUYRKSA-N 2 1 241.310 1.553 20 0 BDADMP Cc1cnsc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206196953 968127040 /nfs/dbraw/zinc/12/70/40/968127040.db2.gz FICIIRXZBMMBLP-UWVGGRQHSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1cnsc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206196953 968127057 /nfs/dbraw/zinc/12/70/57/968127057.db2.gz FICIIRXZBMMBLP-UWVGGRQHSA-N 2 1 243.351 1.713 20 0 BDADMP CCc1n[nH]cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206200822 968133154 /nfs/dbraw/zinc/13/31/54/968133154.db2.gz SYPQFLFQHRNHAC-WDEREUQCSA-N 2 1 240.326 1.233 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206200822 968133164 /nfs/dbraw/zinc/13/31/64/968133164.db2.gz SYPQFLFQHRNHAC-WDEREUQCSA-N 2 1 240.326 1.233 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001206263018 968182349 /nfs/dbraw/zinc/18/23/49/968182349.db2.gz LMHCQFRUZFHTAH-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc2c1CCN2 ZINC001206263018 968182356 /nfs/dbraw/zinc/18/23/56/968182356.db2.gz LMHCQFRUZFHTAH-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304885 968214387 /nfs/dbraw/zinc/21/43/87/968214387.db2.gz QMQMUTHNTGTSSR-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304884 968215606 /nfs/dbraw/zinc/21/56/06/968215606.db2.gz QMQMUTHNTGTSSR-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccncn2)CC1 ZINC001206311886 968216930 /nfs/dbraw/zinc/21/69/30/968216930.db2.gz WKQVVQVGJYOMTI-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP Cc1cc(C)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206511977 968345168 /nfs/dbraw/zinc/34/51/68/968345168.db2.gz FXAKGWOWIJGMQQ-KBPBESRZSA-N 2 1 234.343 1.055 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206548156 968370904 /nfs/dbraw/zinc/37/09/04/968370904.db2.gz HQJBUOPRQMULEN-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)cn2)C1 ZINC001206563689 968386303 /nfs/dbraw/zinc/38/63/03/968386303.db2.gz HDTVFZGMVLWGNK-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)cn2)C1 ZINC001206563689 968386308 /nfs/dbraw/zinc/38/63/08/968386308.db2.gz HDTVFZGMVLWGNK-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001206606540 968414670 /nfs/dbraw/zinc/41/46/70/968414670.db2.gz ONAQIGIQEVXAOC-KGLIPLIRSA-N 2 1 239.407 1.437 20 0 BDADMP Cc1cc(CN2CCCC[C@H](C[NH3+])C2)n[nH]1 ZINC001206606357 968415352 /nfs/dbraw/zinc/41/53/52/968415352.db2.gz LQLSRSMNKUQFIG-LLVKDONJSA-N 2 1 222.336 1.279 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)[nH]n1 ZINC001206606357 968415356 /nfs/dbraw/zinc/41/53/56/968415356.db2.gz LQLSRSMNKUQFIG-LLVKDONJSA-N 2 1 222.336 1.279 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)[nH]n1 ZINC001206606357 968415361 /nfs/dbraw/zinc/41/53/61/968415361.db2.gz LQLSRSMNKUQFIG-LLVKDONJSA-N 2 1 222.336 1.279 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001206616069 968417986 /nfs/dbraw/zinc/41/79/86/968417986.db2.gz NHYJNVYDDBQZSB-LBPRGKRZSA-N 2 1 235.331 1.348 20 0 BDADMP CCc1nccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206616926 968418966 /nfs/dbraw/zinc/41/89/66/968418966.db2.gz UJRQCIAZRXMMDF-LBPRGKRZSA-N 2 1 248.374 1.600 20 0 BDADMP CCc1nccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206616926 968418970 /nfs/dbraw/zinc/41/89/70/968418970.db2.gz UJRQCIAZRXMMDF-LBPRGKRZSA-N 2 1 248.374 1.600 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccnn2)C1 ZINC001206622554 968423150 /nfs/dbraw/zinc/42/31/50/968423150.db2.gz FQWBMRFGHPMMQS-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccnn2)C1 ZINC001206622554 968423156 /nfs/dbraw/zinc/42/31/56/968423156.db2.gz FQWBMRFGHPMMQS-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](O)COCC ZINC001252032244 968453422 /nfs/dbraw/zinc/45/34/22/968453422.db2.gz GQTATOKXCCLEMT-CYBMUJFWSA-N 2 1 246.395 1.048 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749799 968454254 /nfs/dbraw/zinc/45/42/54/968454254.db2.gz NNTHPBWGCJNXJN-CYBMUJFWSA-N 2 1 247.386 1.326 20 0 BDADMP CCCC[C@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001252095563 968575481 /nfs/dbraw/zinc/57/54/81/968575481.db2.gz AEWHCFOXIAPXJK-ZDUSSCGKSA-N 2 1 230.396 1.811 20 0 BDADMP CN(Cc1[nH+]cc2ccccn21)[C@@H]1CC[N@H+](C)C1 ZINC001207053743 968584950 /nfs/dbraw/zinc/58/49/50/968584950.db2.gz XQDZQZUSAFRBIF-CYBMUJFWSA-N 2 1 244.342 1.470 20 0 BDADMP CN(Cc1[nH+]cc2ccccn21)[C@@H]1CC[N@@H+](C)C1 ZINC001207053743 968584954 /nfs/dbraw/zinc/58/49/54/968584954.db2.gz XQDZQZUSAFRBIF-CYBMUJFWSA-N 2 1 244.342 1.470 20 0 BDADMP CCCC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC001252108913 968592901 /nfs/dbraw/zinc/59/29/01/968592901.db2.gz SXRGVEYVDUAZAH-GFCCVEGCSA-N 2 1 225.336 1.332 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001252119999 968605829 /nfs/dbraw/zinc/60/58/29/968605829.db2.gz LGJTUGJBNWEJIG-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1nonc1[C@@H](C)NCCn1cc[nH+]c1C ZINC000825284208 968640425 /nfs/dbraw/zinc/64/04/25/968640425.db2.gz VCKJMKUIQFNRLM-MRVPVSSYSA-N 2 1 235.291 1.234 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985648 968669092 /nfs/dbraw/zinc/66/90/92/968669092.db2.gz ZCKLESAVYSESNO-RNJOBUHISA-N 2 1 210.365 1.949 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@](C)(O)C1 ZINC001207286511 968691552 /nfs/dbraw/zinc/69/15/52/968691552.db2.gz VNYIOPULSLZFFN-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207399895 968750667 /nfs/dbraw/zinc/75/06/67/968750667.db2.gz YNNQWXWURMPCNX-KBPBESRZSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC(C[NH+]2CC(N3CCCC3)C2)CC1 ZINC001207398408 968752532 /nfs/dbraw/zinc/75/25/32/968752532.db2.gz NIGOYAYXCMMOOC-UHFFFAOYSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC001207436539 968770246 /nfs/dbraw/zinc/77/02/46/968770246.db2.gz NKPGRTHOFDYJAK-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCCCC12COC2 ZINC001207437236 968771393 /nfs/dbraw/zinc/77/13/93/968771393.db2.gz FLLHVDFJPPXESX-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C2(CC2)C1 ZINC001207441177 968773465 /nfs/dbraw/zinc/77/34/65/968773465.db2.gz VGFZUMFPCDFFEJ-NSHDSACASA-N 2 1 208.349 1.860 20 0 BDADMP FC1C[C@@H]2COC[C@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001207439400 968773944 /nfs/dbraw/zinc/77/39/44/968773944.db2.gz SBTOZBDEQSPVLM-YHWZYXNKSA-N 2 1 242.338 1.187 20 0 BDADMP C([C@H]1CCCOC1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207469556 968790780 /nfs/dbraw/zinc/79/07/80/968790780.db2.gz MWBSAGMTFYGHHZ-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479740 968793965 /nfs/dbraw/zinc/79/39/65/968793965.db2.gz MNVBCQQLJQNNPP-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480002 968794609 /nfs/dbraw/zinc/79/46/09/968794609.db2.gz SEZJFSFDGZNOLP-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1COCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480140 968796697 /nfs/dbraw/zinc/79/66/97/968796697.db2.gz UTKLYSHEQHGKLU-ZDUSSCGKSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CCO1 ZINC001207479963 968797041 /nfs/dbraw/zinc/79/70/41/968797041.db2.gz QUQPDRLUTGETFZ-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CCCO1 ZINC001207479992 968798762 /nfs/dbraw/zinc/79/87/62/968798762.db2.gz RMVJEEYBTHCQAY-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001207489326 968802323 /nfs/dbraw/zinc/80/23/23/968802323.db2.gz ZBWVMWRFQHISOG-ZIAGYGMSSA-N 2 1 238.375 1.582 20 0 BDADMP Nc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]c1 ZINC001154976007 968828231 /nfs/dbraw/zinc/82/82/31/968828231.db2.gz KCWMPHHVJPJLJL-WCBMZHEXSA-N 2 1 206.293 1.346 20 0 BDADMP Cc1cc2c(nc[nH+]c2N[C@@H]2CCC[C@@H]([NH3+])C2)[nH]1 ZINC001154985962 968839613 /nfs/dbraw/zinc/83/96/13/968839613.db2.gz PNASCSWEPSSTCT-NXEZZACHSA-N 2 1 245.330 1.948 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)[C@H]2C1 ZINC001207836538 968895267 /nfs/dbraw/zinc/89/52/67/968895267.db2.gz IYUFUFQXYOKIMD-LOVFCKMRSA-N 2 1 234.387 1.962 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001207836614 968896346 /nfs/dbraw/zinc/89/63/46/968896346.db2.gz KARBTFVSPVSBSF-RXDNMWQFSA-N 2 1 224.348 1.094 20 0 BDADMP Cc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001207835406 968896596 /nfs/dbraw/zinc/89/65/96/968896596.db2.gz BTNUCRQEUSJLCS-CYZMBNFOSA-N 2 1 235.331 1.413 20 0 BDADMP Cc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001207835406 968896598 /nfs/dbraw/zinc/89/65/98/968896598.db2.gz BTNUCRQEUSJLCS-CYZMBNFOSA-N 2 1 235.331 1.413 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC001207963335 968960584 /nfs/dbraw/zinc/96/05/84/968960584.db2.gz GCDCQUDYLGXUOL-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC001207963335 968960589 /nfs/dbraw/zinc/96/05/89/968960589.db2.gz GCDCQUDYLGXUOL-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC001207963335 968960593 /nfs/dbraw/zinc/96/05/93/968960593.db2.gz GCDCQUDYLGXUOL-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[N@H+]2CC1(C)CC[NH+](C)CC1 ZINC001208108254 968999470 /nfs/dbraw/zinc/99/94/70/968999470.db2.gz CFLRPCHOTZUTTK-STQMWFEESA-N 2 1 237.391 1.107 20 0 BDADMP CO[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1F ZINC001208105666 969001679 /nfs/dbraw/zinc/00/16/79/969001679.db2.gz AWENHSXWQCBEQD-NWDGAFQWSA-N 2 1 244.354 1.387 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1O ZINC001208105656 969001830 /nfs/dbraw/zinc/00/18/30/969001830.db2.gz AURMQFSWQCJINF-NWDGAFQWSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001208592225 969148523 /nfs/dbraw/zinc/14/85/23/969148523.db2.gz FFSUEQFGTFSUGV-QWHCGFSZSA-N 2 1 244.354 1.123 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCN(C)C2)CC1 ZINC001208597620 969149552 /nfs/dbraw/zinc/14/95/52/969149552.db2.gz JRVZKTLAQCQBPW-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001208605200 969156285 /nfs/dbraw/zinc/15/62/85/969156285.db2.gz ANIFJAFNASZDCK-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001208605200 969156294 /nfs/dbraw/zinc/15/62/94/969156294.db2.gz ANIFJAFNASZDCK-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001208605200 969156296 /nfs/dbraw/zinc/15/62/96/969156296.db2.gz ANIFJAFNASZDCK-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@]3(CCOC3)C2)C1 ZINC001208605190 969156452 /nfs/dbraw/zinc/15/64/52/969156452.db2.gz ALVOHTUVMOTEEL-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@]3(CCOC3)C2)C1 ZINC001208605190 969156454 /nfs/dbraw/zinc/15/64/54/969156454.db2.gz ALVOHTUVMOTEEL-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@]3(CCOC3)C2)C1 ZINC001208605190 969156456 /nfs/dbraw/zinc/15/64/56/969156456.db2.gz ALVOHTUVMOTEEL-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP CC[N@H+]1CCCN(C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208603288 969158193 /nfs/dbraw/zinc/15/81/93/969158193.db2.gz AEEMDKRYQWPTTI-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP CC[NH+]1CCCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208603288 969158197 /nfs/dbraw/zinc/15/81/97/969158197.db2.gz AEEMDKRYQWPTTI-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP CC[NH+]1CCCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603288 969158198 /nfs/dbraw/zinc/15/81/98/969158198.db2.gz AEEMDKRYQWPTTI-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](O)CC1 ZINC001208608018 969161369 /nfs/dbraw/zinc/16/13/69/969161369.db2.gz OQJJUKDJZPPYHK-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](O)CC1 ZINC001208608018 969161376 /nfs/dbraw/zinc/16/13/76/969161376.db2.gz OQJJUKDJZPPYHK-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[C@H](O)CC1 ZINC001208608018 969161380 /nfs/dbraw/zinc/16/13/80/969161380.db2.gz OQJJUKDJZPPYHK-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[C@H](O)CC1 ZINC001208608018 969161386 /nfs/dbraw/zinc/16/13/86/969161386.db2.gz OQJJUKDJZPPYHK-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP Nc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC001242023519 969175973 /nfs/dbraw/zinc/17/59/73/969175973.db2.gz DUUVPXZEZYRXDN-MNOVXSKESA-N 2 1 201.273 1.572 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)CCC[C@H]1C[NH3+] ZINC001205991344 969203521 /nfs/dbraw/zinc/20/35/21/969203521.db2.gz AEOBVJBARTWUPG-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP CCCCC[C@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001253550924 969225507 /nfs/dbraw/zinc/22/55/07/969225507.db2.gz LKIFAFMYSMXRCT-NSHDSACASA-N 2 1 225.336 1.483 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205996355 969365491 /nfs/dbraw/zinc/36/54/91/969365491.db2.gz WKENIJWCJTXTKC-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205996355 969365498 /nfs/dbraw/zinc/36/54/98/969365498.db2.gz WKENIJWCJTXTKC-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205996355 969365506 /nfs/dbraw/zinc/36/55/06/969365506.db2.gz WKENIJWCJTXTKC-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCc3ccncc3)C[C@@H]2C1 ZINC001209189095 969378271 /nfs/dbraw/zinc/37/82/71/969378271.db2.gz NNRLIDNUCDPODI-GASCZTMLSA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CC[N@H+](C)C1)C2 ZINC001169095745 969386205 /nfs/dbraw/zinc/38/62/05/969386205.db2.gz SKOIKEPDOLOTMF-YIYPIFLZSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095745 969386210 /nfs/dbraw/zinc/38/62/10/969386210.db2.gz SKOIKEPDOLOTMF-YIYPIFLZSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095745 969386214 /nfs/dbraw/zinc/38/62/14/969386214.db2.gz SKOIKEPDOLOTMF-YIYPIFLZSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C2 ZINC001169095745 969386218 /nfs/dbraw/zinc/38/62/18/969386218.db2.gz SKOIKEPDOLOTMF-YIYPIFLZSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[N@H+](C)C1)C2 ZINC001169095745 969386227 /nfs/dbraw/zinc/38/62/27/969386227.db2.gz SKOIKEPDOLOTMF-YIYPIFLZSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095745 969386233 /nfs/dbraw/zinc/38/62/33/969386233.db2.gz SKOIKEPDOLOTMF-YIYPIFLZSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095745 969386239 /nfs/dbraw/zinc/38/62/39/969386239.db2.gz SKOIKEPDOLOTMF-YIYPIFLZSA-N 3 1 237.391 1.153 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001253768106 969387292 /nfs/dbraw/zinc/38/72/92/969387292.db2.gz RGHXFUSVEDURFK-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001253768106 969387299 /nfs/dbraw/zinc/38/72/99/969387299.db2.gz RGHXFUSVEDURFK-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCOC1)C2 ZINC001169094551 969387558 /nfs/dbraw/zinc/38/75/58/969387558.db2.gz MKJBPCYVSRPMMB-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001169097892 969393470 /nfs/dbraw/zinc/39/34/70/969393470.db2.gz DWJUISPRVOENSN-XXCSZPINSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC(F)(F)C1)C2 ZINC001169078423 969395316 /nfs/dbraw/zinc/39/53/16/969395316.db2.gz FIXLKKMHSBBDID-UIKWRGBMSA-N 2 1 230.302 1.999 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079706 969396029 /nfs/dbraw/zinc/39/60/29/969396029.db2.gz KPPHOGSYMMAOMD-SYQHCUMBSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cccnc1)C2 ZINC001169081334 969401599 /nfs/dbraw/zinc/40/15/99/969401599.db2.gz RIZAWXIIRHUFEX-QDMKHBRRSA-N 2 1 245.370 1.839 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)C2 ZINC001169079800 969401851 /nfs/dbraw/zinc/40/18/51/969401851.db2.gz LPKAGGYWTNQOSU-RKQHYHRCSA-N 2 1 238.375 1.362 20 0 BDADMP Cn1cccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081608 969404559 /nfs/dbraw/zinc/40/45/59/969404559.db2.gz UHJMZJRPSSAOCA-XYYAHUGASA-N 2 1 233.359 1.740 20 0 BDADMP Cn1cccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081608 969404562 /nfs/dbraw/zinc/40/45/62/969404562.db2.gz UHJMZJRPSSAOCA-XYYAHUGASA-N 2 1 233.359 1.740 20 0 BDADMP CC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169079824 969404744 /nfs/dbraw/zinc/40/47/44/969404744.db2.gz LVONMXWPLPFKFZ-PAZDGXDMSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001169125380 969426870 /nfs/dbraw/zinc/42/68/70/969426870.db2.gz HMHNDUAAMNJCKF-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001169125380 969426874 /nfs/dbraw/zinc/42/68/74/969426874.db2.gz HMHNDUAAMNJCKF-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001169125380 969426877 /nfs/dbraw/zinc/42/68/77/969426877.db2.gz HMHNDUAAMNJCKF-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126786 969431251 /nfs/dbraw/zinc/43/12/51/969431251.db2.gz XPKOHCMWHSJTIP-RVMXOQNASA-N 2 1 208.349 1.953 20 0 BDADMP C[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126786 969431258 /nfs/dbraw/zinc/43/12/58/969431258.db2.gz XPKOHCMWHSJTIP-RVMXOQNASA-N 2 1 208.349 1.953 20 0 BDADMP C[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126786 969431264 /nfs/dbraw/zinc/43/12/64/969431264.db2.gz XPKOHCMWHSJTIP-RVMXOQNASA-N 2 1 208.349 1.953 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H](O)C1)C2 ZINC001169126164 969431492 /nfs/dbraw/zinc/43/14/92/969431492.db2.gz QMCFDZHYPODNJJ-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H](O)C1)C2 ZINC001169126164 969431495 /nfs/dbraw/zinc/43/14/95/969431495.db2.gz QMCFDZHYPODNJJ-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H](O)C1)C2 ZINC001169126164 969431503 /nfs/dbraw/zinc/43/15/03/969431503.db2.gz QMCFDZHYPODNJJ-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001169131638 969440383 /nfs/dbraw/zinc/44/03/83/969440383.db2.gz WTTPIXPCACRIGX-KCLGILNXSA-N 2 1 236.359 1.190 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001169131638 969440394 /nfs/dbraw/zinc/44/03/94/969440394.db2.gz WTTPIXPCACRIGX-KCLGILNXSA-N 2 1 236.359 1.190 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001169131638 969440398 /nfs/dbraw/zinc/44/03/98/969440398.db2.gz WTTPIXPCACRIGX-KCLGILNXSA-N 2 1 236.359 1.190 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169109306 969445626 /nfs/dbraw/zinc/44/56/26/969445626.db2.gz AFNADMDTOBMMOV-YIYPIFLZSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3CC(C3)C1)C2 ZINC001169153655 969472274 /nfs/dbraw/zinc/47/22/74/969472274.db2.gz KTCZFQOJHNBXHS-TWASESMYSA-N 2 1 220.360 1.953 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3CC(C3)C1)C2 ZINC001169153655 969472279 /nfs/dbraw/zinc/47/22/79/969472279.db2.gz KTCZFQOJHNBXHS-TWASESMYSA-N 2 1 220.360 1.953 20 0 BDADMP COC(=O)CC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153576 969475219 /nfs/dbraw/zinc/47/52/19/969475219.db2.gz JVQWKDBBSWHLEJ-ZSBIGDGJSA-N 2 1 240.347 1.107 20 0 BDADMP COC(=O)CC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153576 969475228 /nfs/dbraw/zinc/47/52/28/969475228.db2.gz JVQWKDBBSWHLEJ-ZSBIGDGJSA-N 2 1 240.347 1.107 20 0 BDADMP COC(=O)CC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153576 969475236 /nfs/dbraw/zinc/47/52/36/969475236.db2.gz JVQWKDBBSWHLEJ-ZSBIGDGJSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc[nH]c2)CCC[C@H]1C[NH3+] ZINC001206004174 969478166 /nfs/dbraw/zinc/47/81/66/969478166.db2.gz QWXQRZLYTKXSGD-AAEUAGOBSA-N 2 1 221.348 1.822 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209430013 969498530 /nfs/dbraw/zinc/49/85/30/969498530.db2.gz IYICIFHLGUBVEF-RQJABVFESA-N 2 1 222.376 1.916 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209430013 969498535 /nfs/dbraw/zinc/49/85/35/969498535.db2.gz IYICIFHLGUBVEF-RQJABVFESA-N 2 1 222.376 1.916 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209430013 969498541 /nfs/dbraw/zinc/49/85/41/969498541.db2.gz IYICIFHLGUBVEF-RQJABVFESA-N 2 1 222.376 1.916 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001209433430 969502767 /nfs/dbraw/zinc/50/27/67/969502767.db2.gz UCGVEJVQCTVXIV-XQHKEYJVSA-N 2 1 208.349 1.668 20 0 BDADMP CC[NH+]1CCC(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC001169266261 969526202 /nfs/dbraw/zinc/52/62/02/969526202.db2.gz VKDACTYQLCZKPM-GXTWGEPZSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CCC(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC001169266261 969526210 /nfs/dbraw/zinc/52/62/10/969526210.db2.gz VKDACTYQLCZKPM-GXTWGEPZSA-N 2 1 237.391 1.107 20 0 BDADMP CCN1CCC([N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC001169246237 969536894 /nfs/dbraw/zinc/53/68/94/969536894.db2.gz QHKUUROPBAUJDL-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC001169246237 969536901 /nfs/dbraw/zinc/53/69/01/969536901.db2.gz QHKUUROPBAUJDL-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC001169246237 969536909 /nfs/dbraw/zinc/53/69/09/969536909.db2.gz QHKUUROPBAUJDL-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([NH+]2CCC(C)(OC)CC2)CC1 ZINC001169245726 969536967 /nfs/dbraw/zinc/53/69/67/969536967.db2.gz HRTAPQNRAXGTHA-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[N@@H+]1C[C@H]2CN(Cc3c[nH]nc3C)C[C@H]2C1 ZINC001209559662 969545093 /nfs/dbraw/zinc/54/50/93/969545093.db2.gz ZTULJARCHPIMGV-OKILXGFUSA-N 2 1 248.374 1.492 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOC1 ZINC001254367786 969581114 /nfs/dbraw/zinc/58/11/14/969581114.db2.gz MAMFILHUMZSKPC-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCCOC1 ZINC001254373834 969588422 /nfs/dbraw/zinc/58/84/22/969588422.db2.gz DLXLVRMMQNSZGC-JTQLQIEISA-N 2 1 209.293 1.126 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC2(CC2)C1 ZINC001209730172 969589849 /nfs/dbraw/zinc/58/98/49/969589849.db2.gz UPDCBNTWPLLFIB-UHFFFAOYSA-N 2 1 203.289 1.480 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC2(CC2)C1 ZINC001209730172 969589854 /nfs/dbraw/zinc/58/98/54/969589854.db2.gz UPDCBNTWPLLFIB-UHFFFAOYSA-N 2 1 203.289 1.480 20 0 BDADMP C1CC[NH+](C2CC[NH+]([C@H]3CCCOC3)CC2)C1 ZINC001254376673 969591058 /nfs/dbraw/zinc/59/10/58/969591058.db2.gz XKJGUMHRLRLYGV-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(Cc3c[nH+]ccc3N)C[C@H]21 ZINC001209733017 969593205 /nfs/dbraw/zinc/59/32/05/969593205.db2.gz OYOWIZDCTCEUOQ-BXUZGUMPSA-N 2 1 246.358 1.020 20 0 BDADMP C[N@H+](Cc1cnccc1N)CC1CC[NH+](C)CC1 ZINC001209734455 969598089 /nfs/dbraw/zinc/59/80/89/969598089.db2.gz PVXLMIMHVWDHDL-UHFFFAOYSA-N 2 1 248.374 1.268 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001209737367 969600123 /nfs/dbraw/zinc/60/01/23/969600123.db2.gz LFWBUCKOVUCUQB-CQSZACIVSA-N 2 1 247.342 1.497 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001209737367 969600125 /nfs/dbraw/zinc/60/01/25/969600125.db2.gz LFWBUCKOVUCUQB-CQSZACIVSA-N 2 1 247.342 1.497 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)n1C ZINC001254499791 969657623 /nfs/dbraw/zinc/65/76/23/969657623.db2.gz APCZUOXKZFZFEU-ZDUSSCGKSA-N 2 1 235.375 1.907 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccc(CC[NH3+])n2)CC1 ZINC001254499792 969659270 /nfs/dbraw/zinc/65/92/70/969659270.db2.gz ARRJDIFVMQVFOB-GFCCVEGCSA-N 2 1 222.336 1.041 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254497846 969662456 /nfs/dbraw/zinc/66/24/56/969662456.db2.gz OIVHZAWVRIKAIA-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254497846 969662465 /nfs/dbraw/zinc/66/24/65/969662465.db2.gz OIVHZAWVRIKAIA-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccc(C[NH3+])c2)CC1 ZINC001254505462 969676286 /nfs/dbraw/zinc/67/62/86/969676286.db2.gz GORIMQGJGSWDSQ-LBPRGKRZSA-N 2 1 207.321 1.604 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC3(C2)CCOC3)CC1 ZINC001254516392 969685444 /nfs/dbraw/zinc/68/54/44/969685444.db2.gz MHHUORGSYAWGDF-GFCCVEGCSA-N 2 1 224.348 1.193 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001254515695 969691471 /nfs/dbraw/zinc/69/14/71/969691471.db2.gz AZOZPRRXHWTLDN-RWMBFGLXSA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001254515695 969691480 /nfs/dbraw/zinc/69/14/80/969691480.db2.gz AZOZPRRXHWTLDN-RWMBFGLXSA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001254515695 969691487 /nfs/dbraw/zinc/69/14/87/969691487.db2.gz AZOZPRRXHWTLDN-RWMBFGLXSA-N 2 1 244.354 1.266 20 0 BDADMP CCC[N@@H+](CCOC)[C@H]1CCC[NH+](C)CC1 ZINC001254515873 969691723 /nfs/dbraw/zinc/69/17/23/969691723.db2.gz FROCZQLANUHISV-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCC[NH+](CCOC)[C@H]1CCC[N@H+](C)CC1 ZINC001254515873 969691731 /nfs/dbraw/zinc/69/17/31/969691731.db2.gz FROCZQLANUHISV-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCC[NH+](CCOC)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515873 969691746 /nfs/dbraw/zinc/69/17/46/969691746.db2.gz FROCZQLANUHISV-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254521209 969700149 /nfs/dbraw/zinc/70/01/49/969700149.db2.gz SRXBZFDWFVMERN-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254521209 969700156 /nfs/dbraw/zinc/70/01/56/969700156.db2.gz SRXBZFDWFVMERN-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254521209 969700165 /nfs/dbraw/zinc/70/01/65/969700165.db2.gz SRXBZFDWFVMERN-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@](C)(O)C2)CC1 ZINC001254524389 969704503 /nfs/dbraw/zinc/70/45/03/969704503.db2.gz WHTCCIYXRHYILA-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001254524389 969704513 /nfs/dbraw/zinc/70/45/13/969704513.db2.gz WHTCCIYXRHYILA-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001254524389 969704521 /nfs/dbraw/zinc/70/45/21/969704521.db2.gz WHTCCIYXRHYILA-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254527524 969721063 /nfs/dbraw/zinc/72/10/63/969721063.db2.gz ZBPMIKUEVFVZAE-YNEHKIRRSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254527524 969721069 /nfs/dbraw/zinc/72/10/69/969721069.db2.gz ZBPMIKUEVFVZAE-YNEHKIRRSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254527524 969721076 /nfs/dbraw/zinc/72/10/76/969721076.db2.gz ZBPMIKUEVFVZAE-YNEHKIRRSA-N 2 1 208.349 1.955 20 0 BDADMP CCC1(O)CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525213 969722902 /nfs/dbraw/zinc/72/29/02/969722902.db2.gz HGYMFCHGBALRSC-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCOCC23CCC3)CC1 ZINC001254526766 969723484 /nfs/dbraw/zinc/72/34/84/969723484.db2.gz UNDYZGLRVVXIMT-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCOCC23CCC3)CC1 ZINC001254526766 969723491 /nfs/dbraw/zinc/72/34/91/969723491.db2.gz UNDYZGLRVVXIMT-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCOCC23CCC3)CC1 ZINC001254526766 969723500 /nfs/dbraw/zinc/72/35/00/969723500.db2.gz UNDYZGLRVVXIMT-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCOCC23CCC3)CC1 ZINC001254526766 969723507 /nfs/dbraw/zinc/72/35/07/969723507.db2.gz UNDYZGLRVVXIMT-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254922195 969822024 /nfs/dbraw/zinc/82/20/24/969822024.db2.gz MVLYPRIHUJZRDB-RYUDHWBXSA-N 2 1 238.375 1.803 20 0 BDADMP C[NH+](C)CCC[N@H+](C)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254943997 969833709 /nfs/dbraw/zinc/83/37/09/969833709.db2.gz OBVWMZGFUBNSPV-VXGBXAGGSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254943997 969833713 /nfs/dbraw/zinc/83/37/13/969833713.db2.gz OBVWMZGFUBNSPV-VXGBXAGGSA-N 2 1 238.375 1.628 20 0 BDADMP CCOC(=O)C1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001255249085 970016226 /nfs/dbraw/zinc/01/62/26/970016226.db2.gz GPDJXRHZCJLVRD-UHFFFAOYSA-N 2 1 242.363 1.435 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCSC1)C2 ZINC001255293164 970055253 /nfs/dbraw/zinc/05/52/53/970055253.db2.gz KOCKSQZLWQZPFE-GRYCIOLGSA-N 2 1 226.389 1.375 20 0 BDADMP CC[NH+](CC)C1CCN([C@@H]2CC[N@@H+](C)C2)CC1 ZINC001255435290 970159339 /nfs/dbraw/zinc/15/93/39/970159339.db2.gz DFMLQCJSSCBMKX-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@H+]1CC[C@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC001255435253 970161334 /nfs/dbraw/zinc/16/13/34/970161334.db2.gz CMFRDSSYOXIPPJ-AWEZNQCLSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@H+]1CC[C@@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001255441344 970171457 /nfs/dbraw/zinc/17/14/57/970171457.db2.gz NPGHGLVEVZEKKD-LLVKDONJSA-N 2 1 205.305 1.010 20 0 BDADMP C[N@H+]1CCC[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001255468030 970192647 /nfs/dbraw/zinc/19/26/47/970192647.db2.gz OELLWORNEORRPN-ZIAGYGMSSA-N 2 1 245.370 1.471 20 0 BDADMP C[N@H+]1CCC[C@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001255468028 970195210 /nfs/dbraw/zinc/19/52/10/970195210.db2.gz OELLWORNEORRPN-KGLIPLIRSA-N 2 1 245.370 1.471 20 0 BDADMP Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC001255466626 970196414 /nfs/dbraw/zinc/19/64/14/970196414.db2.gz XSZPEUWAJZBWJS-CYBMUJFWSA-N 2 1 248.374 1.379 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1CCC[NH+](C)C1 ZINC001255484200 970226267 /nfs/dbraw/zinc/22/62/67/970226267.db2.gz WZNJIMMHVXXTMW-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CCC[N@H+](C)C1 ZINC001255484200 970226278 /nfs/dbraw/zinc/22/62/78/970226278.db2.gz WZNJIMMHVXXTMW-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CCC[N@@H+](C)C1 ZINC001255484200 970226290 /nfs/dbraw/zinc/22/62/90/970226290.db2.gz WZNJIMMHVXXTMW-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001255493369 970256557 /nfs/dbraw/zinc/25/65/57/970256557.db2.gz CGJCRWLNJRUBDW-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001255493369 970256568 /nfs/dbraw/zinc/25/65/68/970256568.db2.gz CGJCRWLNJRUBDW-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001255493369 970256572 /nfs/dbraw/zinc/25/65/72/970256572.db2.gz CGJCRWLNJRUBDW-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1(CC)COC1 ZINC001255946605 970581572 /nfs/dbraw/zinc/58/15/72/970581572.db2.gz WRZFKJBRYOUGMP-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP CCN([C@@H](C)CC[NH+](CC)CC)C1C[NH+](C)C1 ZINC001255971753 970607937 /nfs/dbraw/zinc/60/79/37/970607937.db2.gz KPNQHWHDQOJIRJ-ZDUSSCGKSA-N 2 1 241.423 1.743 20 0 BDADMP C[C@]1(CO)CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073303 970639342 /nfs/dbraw/zinc/63/93/42/970639342.db2.gz QKSAZNNISZYLJX-AWEZNQCLSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@]1(CO)CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073303 970639347 /nfs/dbraw/zinc/63/93/47/970639347.db2.gz QKSAZNNISZYLJX-AWEZNQCLSA-N 2 1 238.375 1.318 20 0 BDADMP OC[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073338 970640870 /nfs/dbraw/zinc/64/08/70/970640870.db2.gz RRNHOVJUMNSDIL-GFCCVEGCSA-N 2 1 238.375 1.318 20 0 BDADMP OC[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073338 970640875 /nfs/dbraw/zinc/64/08/75/970640875.db2.gz RRNHOVJUMNSDIL-GFCCVEGCSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC([NH2+]C2(Cc3cccnc3)CC2)CC1 ZINC001256201453 970696102 /nfs/dbraw/zinc/69/61/02/970696102.db2.gz KCOKSQUWMGQZBU-UHFFFAOYSA-N 2 1 245.370 1.841 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001256203451 970704402 /nfs/dbraw/zinc/70/44/02/970704402.db2.gz YPKSUXHEPMZCKK-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001256203451 970704416 /nfs/dbraw/zinc/70/44/16/970704416.db2.gz YPKSUXHEPMZCKK-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001256211469 970719405 /nfs/dbraw/zinc/71/94/05/970719405.db2.gz XYVRIVVOGRJVMY-AWEZNQCLSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001256211388 970721839 /nfs/dbraw/zinc/72/18/39/970721839.db2.gz VULIADGHULVSQF-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP CN1CCC([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001256211388 970721844 /nfs/dbraw/zinc/72/18/44/970721844.db2.gz VULIADGHULVSQF-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP CN1CCC([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001256211388 970721857 /nfs/dbraw/zinc/72/18/57/970721857.db2.gz VULIADGHULVSQF-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CCOC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246544673 972606807 /nfs/dbraw/zinc/60/68/07/972606807.db2.gz YAMZXALAQFNKNP-TUAOUCFPSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545288 972629521 /nfs/dbraw/zinc/62/95/21/972629521.db2.gz ASNPHBOTKZCUNO-RWMBFGLXSA-N 3 1 243.370 1.280 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246547445 972671267 /nfs/dbraw/zinc/67/12/67/972671267.db2.gz PQABBCIVICXZBW-VXGBXAGGSA-N 2 1 226.364 1.757 20 0 BDADMP COC(=O)CC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548322 972680758 /nfs/dbraw/zinc/68/07/58/972680758.db2.gz FXUDATRRRYWLJT-AAEUAGOBSA-N 2 1 242.363 1.531 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C2CCN(C3CC3)CC2)CC1 ZINC001246550338 972699806 /nfs/dbraw/zinc/69/98/06/972699806.db2.gz XTHUZBBLVLTZOS-GFCCVEGCSA-N 2 1 237.391 1.426 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2CCN(C3CC3)CC2)CC1 ZINC001246550338 972699818 /nfs/dbraw/zinc/69/98/18/972699818.db2.gz XTHUZBBLVLTZOS-GFCCVEGCSA-N 2 1 237.391 1.426 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246553900 972743112 /nfs/dbraw/zinc/74/31/12/972743112.db2.gz TVHNJENLXVBIGG-YVECIDJPSA-N 2 1 208.349 1.988 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cncs1 ZINC001327841419 972755970 /nfs/dbraw/zinc/75/59/70/972755970.db2.gz WRKCZAXHSSIBPP-IUCAKERBSA-N 2 1 213.350 1.792 20 0 BDADMP CCCC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246557217 972773283 /nfs/dbraw/zinc/77/32/83/972773283.db2.gz GMAGBYCCLNOJPG-NWINJMCUSA-N 2 1 240.391 1.739 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246558383 972779447 /nfs/dbraw/zinc/77/94/47/972779447.db2.gz LFDVAULTUBDDND-YVECIDJPSA-N 2 1 240.391 1.595 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](F)CC2)CC[NH2+]1 ZINC001246558758 972782636 /nfs/dbraw/zinc/78/26/36/972782636.db2.gz NOLDZASYWKXFNV-IJLUTSLNSA-N 2 1 214.328 1.951 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246561609 972792645 /nfs/dbraw/zinc/79/26/45/972792645.db2.gz QZVIKTIPKWQYLF-ZIAGYGMSSA-N 2 1 242.407 1.987 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246564128 972802764 /nfs/dbraw/zinc/80/27/64/972802764.db2.gz YWOJZCOCPKYQSS-WOPDTQHZSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)([NH3+])CNc1cc2[nH+]c[nH]c2cc1F ZINC001171193610 972843482 /nfs/dbraw/zinc/84/34/82/972843482.db2.gz BUBQEXWHPFSNQH-UHFFFAOYSA-N 2 1 222.267 1.851 20 0 BDADMP CN1CC[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246571328 972850688 /nfs/dbraw/zinc/85/06/88/972850688.db2.gz BEZMXSIUPLVSPE-STQMWFEESA-N 2 1 225.380 1.141 20 0 BDADMP CC[C@@H]1C[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246579683 972912908 /nfs/dbraw/zinc/91/29/08/972912908.db2.gz CXKCLMUYVYFHSR-OUAUKWLOSA-N 2 1 247.333 1.185 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246587239 972980501 /nfs/dbraw/zinc/98/05/01/972980501.db2.gz WITBRLAOQYTDDT-MJBXVCDLSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246588505 972989260 /nfs/dbraw/zinc/98/92/60/972989260.db2.gz QJLNWZGGLYYZQX-RWMBFGLXSA-N 2 1 243.370 1.232 20 0 BDADMP CC(C)=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246587559 972992225 /nfs/dbraw/zinc/99/22/25/972992225.db2.gz UUGQLNHHLVIMFV-RWMBFGLXSA-N 2 1 226.364 1.373 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2CCCC2)CC[C@H]1F ZINC001246593414 973008756 /nfs/dbraw/zinc/00/87/56/973008756.db2.gz WYEWHTZIFRPTIW-GHMZBOCLSA-N 2 1 200.301 1.690 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2CCCC2)CC[C@H]1F ZINC001246593414 973008769 /nfs/dbraw/zinc/00/87/69/973008769.db2.gz WYEWHTZIFRPTIW-GHMZBOCLSA-N 2 1 200.301 1.690 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246610100 973032452 /nfs/dbraw/zinc/03/24/52/973032452.db2.gz ORDYNMDJIPYQKJ-ZIAGYGMSSA-N 2 1 237.391 1.299 20 0 BDADMP CCCC[C@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246612691 973032627 /nfs/dbraw/zinc/03/26/27/973032627.db2.gz CJBJXEPSPAYEOV-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246627904 973045247 /nfs/dbraw/zinc/04/52/47/973045247.db2.gz AWRPRQATZMDUOJ-BYNSBNAKSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C[NH2+]1 ZINC001246769996 973091740 /nfs/dbraw/zinc/09/17/40/973091740.db2.gz MCQSAYOBCKQKOL-UHFZAUJKSA-N 2 1 212.312 1.559 20 0 BDADMP C[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]1C ZINC001246792855 973092845 /nfs/dbraw/zinc/09/28/45/973092845.db2.gz YCNNJAIQJBYUOD-JHJVBQTASA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+](CC(C)(C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246799843 973102673 /nfs/dbraw/zinc/10/26/73/973102673.db2.gz PBIXWDHQYFBUTH-LLVKDONJSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246854633 973171871 /nfs/dbraw/zinc/17/18/71/973171871.db2.gz QMDLOAKGZKHEMV-GFJIZPEISA-N 3 1 237.391 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001246854633 973171886 /nfs/dbraw/zinc/17/18/86/973171886.db2.gz QMDLOAKGZKHEMV-GFJIZPEISA-N 2 1 237.391 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001246854633 973171898 /nfs/dbraw/zinc/17/18/98/973171898.db2.gz QMDLOAKGZKHEMV-GFJIZPEISA-N 2 1 237.391 1.282 20 0 BDADMP CC[C@H](C)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711422 973228576 /nfs/dbraw/zinc/22/85/76/973228576.db2.gz RSOKVGPVSWGMDF-LBPRGKRZSA-N 2 1 243.395 1.080 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246870266 973250565 /nfs/dbraw/zinc/25/05/65/973250565.db2.gz ODSWMXURFLBYBI-YNEHKIRRSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246870266 973250579 /nfs/dbraw/zinc/25/05/79/973250579.db2.gz ODSWMXURFLBYBI-YNEHKIRRSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)CCC[C@H]([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246876272 973309193 /nfs/dbraw/zinc/30/91/93/973309193.db2.gz YPADUIUDWXCJQC-NTZNESFSSA-N 2 1 208.349 1.988 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246876272 973309205 /nfs/dbraw/zinc/30/92/05/973309205.db2.gz YPADUIUDWXCJQC-NTZNESFSSA-N 2 1 208.349 1.988 20 0 BDADMP C[C@H](N)C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001246980431 973720580 /nfs/dbraw/zinc/72/05/80/973720580.db2.gz IMUMUCUYBPVDHC-LBPRGKRZSA-N 2 1 248.374 1.329 20 0 BDADMP C[C@H](N)C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001246980431 973720585 /nfs/dbraw/zinc/72/05/85/973720585.db2.gz IMUMUCUYBPVDHC-LBPRGKRZSA-N 2 1 248.374 1.329 20 0 BDADMP CO[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000234938302 973787520 /nfs/dbraw/zinc/78/75/20/973787520.db2.gz BNISHDPIAWRENN-CQSZACIVSA-N 2 1 246.354 1.553 20 0 BDADMP C([N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC001329802117 973944334 /nfs/dbraw/zinc/94/43/34/973944334.db2.gz ZLOWYODZNRWWOL-DKNRTOFZSA-N 2 1 236.359 1.239 20 0 BDADMP C([N@H+]1CC[C@@H]2OCCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC001329802117 973944353 /nfs/dbraw/zinc/94/43/53/973944353.db2.gz ZLOWYODZNRWWOL-DKNRTOFZSA-N 2 1 236.359 1.239 20 0 BDADMP C[NH+]1C(C)(C)CC([NH2+]C2CC(=O)C2)CC1(C)C ZINC001171620628 974113254 /nfs/dbraw/zinc/11/32/54/974113254.db2.gz AKNFIWKRKLQXAJ-UHFFFAOYSA-N 2 1 238.375 1.959 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171767926 974144947 /nfs/dbraw/zinc/14/49/47/974144947.db2.gz DCCRZLMUXZSIAS-CYBMUJFWSA-N 2 1 248.345 1.977 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCN(CC)C(=O)C1 ZINC001172023692 974283082 /nfs/dbraw/zinc/28/30/82/974283082.db2.gz PSFZFQBTUBNPAB-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(C)(C)C[NH3+])C2 ZINC001172099383 974336090 /nfs/dbraw/zinc/33/60/90/974336090.db2.gz KCQRVJKBQRPBTM-ZSBIGDGJSA-N 2 1 225.380 1.329 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1CC[NH3+])C2 ZINC001172098160 974337853 /nfs/dbraw/zinc/33/78/53/974337853.db2.gz AVQKMRAUXBZYJT-DABQJJPHSA-N 2 1 248.374 1.572 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100483 974343367 /nfs/dbraw/zinc/34/33/67/974343367.db2.gz RGHTWCDQEWJELE-UJPOAAIJSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100483 974343374 /nfs/dbraw/zinc/34/33/74/974343374.db2.gz RGHTWCDQEWJELE-UJPOAAIJSA-N 2 1 208.349 2.000 20 0 BDADMP COC[C@H]1CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130081 974348610 /nfs/dbraw/zinc/34/86/10/974348610.db2.gz HAGCLHZMQYZXSS-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130081 974348624 /nfs/dbraw/zinc/34/86/24/974348624.db2.gz HAGCLHZMQYZXSS-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130081 974348631 /nfs/dbraw/zinc/34/86/31/974348631.db2.gz HAGCLHZMQYZXSS-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP CC[N@H+](C1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125379 974352269 /nfs/dbraw/zinc/35/22/69/974352269.db2.gz PVDVWXIMARJVPS-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP CC[N@@H+](C1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125379 974352276 /nfs/dbraw/zinc/35/22/76/974352276.db2.gz PVDVWXIMARJVPS-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP CC[NH+](C1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125379 974352281 /nfs/dbraw/zinc/35/22/81/974352281.db2.gz PVDVWXIMARJVPS-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP CC[NH+](C1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125379 974352287 /nfs/dbraw/zinc/35/22/87/974352287.db2.gz PVDVWXIMARJVPS-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)COC1)C2 ZINC001172102692 974361509 /nfs/dbraw/zinc/36/15/09/974361509.db2.gz ODZNMQPPKPGRRM-ZSBIGDGJSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)COC1)C2 ZINC001172102692 974361516 /nfs/dbraw/zinc/36/15/16/974361516.db2.gz ODZNMQPPKPGRRM-ZSBIGDGJSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[NH3+])C2 ZINC001172108217 974365872 /nfs/dbraw/zinc/36/58/72/974365872.db2.gz SGWAMEKZMRXKLF-CLLJXQQHSA-N 3 1 225.380 1.330 20 0 BDADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[NH3+])C2 ZINC001172108217 974365879 /nfs/dbraw/zinc/36/58/79/974365879.db2.gz SGWAMEKZMRXKLF-CLLJXQQHSA-N 2 1 225.380 1.330 20 0 BDADMP CN([C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH3+] ZINC001172107602 974367351 /nfs/dbraw/zinc/36/73/51/974367351.db2.gz FTJNVPDFWHUGOF-CLLJXQQHSA-N 2 1 239.407 1.671 20 0 BDADMP CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105702 974367596 /nfs/dbraw/zinc/36/75/96/974367596.db2.gz JHNXWNWGXOERPY-XDQVBPFNSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105702 974367602 /nfs/dbraw/zinc/36/76/02/974367602.db2.gz JHNXWNWGXOERPY-XDQVBPFNSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@]1(C)CCOC1)C2 ZINC001172111877 974373818 /nfs/dbraw/zinc/37/38/18/974373818.db2.gz XSCNGQMCZCDYIC-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@]1(C)CCOC1)C2 ZINC001172111877 974373826 /nfs/dbraw/zinc/37/38/26/974373826.db2.gz XSCNGQMCZCDYIC-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP N[C@H]1CC[N@@H+](CCC23CC([NH3+])(C2)C3)CC[C@H]1F ZINC001206157175 974377731 /nfs/dbraw/zinc/37/77/31/974377731.db2.gz XATFJFVOZTXADS-IALDZJHCSA-N 3 1 241.354 1.019 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC23CC([NH3+])(C2)C3)CC[C@H]1F ZINC001206157175 974377741 /nfs/dbraw/zinc/37/77/41/974377741.db2.gz XATFJFVOZTXADS-IALDZJHCSA-N 3 1 241.354 1.019 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC23CC([NH3+])(C2)C3)CC[C@H]1F ZINC001206157175 974377753 /nfs/dbraw/zinc/37/77/53/974377753.db2.gz XATFJFVOZTXADS-IALDZJHCSA-N 3 1 241.354 1.019 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](O)C1)C2 ZINC001172113178 974386550 /nfs/dbraw/zinc/38/65/50/974386550.db2.gz HHTFROZEAPGJOV-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](O)C1)C2 ZINC001172113178 974386553 /nfs/dbraw/zinc/38/65/53/974386553.db2.gz HHTFROZEAPGJOV-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](O)C1)C2 ZINC001172113178 974386559 /nfs/dbraw/zinc/38/65/59/974386559.db2.gz HHTFROZEAPGJOV-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](O)C1)C2 ZINC001172113178 974386564 /nfs/dbraw/zinc/38/65/64/974386564.db2.gz HHTFROZEAPGJOV-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001172122193 974389756 /nfs/dbraw/zinc/38/97/56/974389756.db2.gz XJXRXWSSWDPASL-PDWCTOEPSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001172122193 974389768 /nfs/dbraw/zinc/38/97/68/974389768.db2.gz XJXRXWSSWDPASL-PDWCTOEPSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1O ZINC001172122193 974389785 /nfs/dbraw/zinc/38/97/85/974389785.db2.gz XJXRXWSSWDPASL-PDWCTOEPSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1O ZINC001172122193 974389793 /nfs/dbraw/zinc/38/97/93/974389793.db2.gz XJXRXWSSWDPASL-PDWCTOEPSA-N 2 1 238.375 1.314 20 0 BDADMP CO[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121414 974390807 /nfs/dbraw/zinc/39/08/07/974390807.db2.gz QBYHINBYAJUVRK-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121414 974390817 /nfs/dbraw/zinc/39/08/17/974390817.db2.gz QBYHINBYAJUVRK-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121414 974390821 /nfs/dbraw/zinc/39/08/21/974390821.db2.gz QBYHINBYAJUVRK-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172228604 974467946 /nfs/dbraw/zinc/46/79/46/974467946.db2.gz MZZNEFKGBZKQJM-YHWZYXNKSA-N 2 1 233.315 1.267 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ncccc2O)CC[C@H]1F ZINC001206163491 974489293 /nfs/dbraw/zinc/48/92/93/974489293.db2.gz CNPPSPRFOBONTI-ZJUUUORDSA-N 2 1 239.294 1.048 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172239618 974501062 /nfs/dbraw/zinc/50/10/62/974501062.db2.gz FNFJJKINRCKCDY-YHWZYXNKSA-N 2 1 224.348 1.356 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+](CC[NH3+])CCO)C[C@@H]1C ZINC001172359529 974629069 /nfs/dbraw/zinc/62/90/69/974629069.db2.gz JZFHFGAEJOMTDZ-GRYCIOLGSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+](CC[NH3+])CCO)C[C@@H]1C ZINC001172359529 974629074 /nfs/dbraw/zinc/62/90/74/974629074.db2.gz JZFHFGAEJOMTDZ-GRYCIOLGSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172442079 974801438 /nfs/dbraw/zinc/80/14/38/974801438.db2.gz RHIJNENBSCWHAU-NEPJUHHUSA-N 2 1 216.369 1.717 20 0 BDADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C1(C[NH3+])CC1)CC2 ZINC001172837732 974951490 /nfs/dbraw/zinc/95/14/90/974951490.db2.gz MLPZEULXKYKZBH-AWEZNQCLSA-N 2 1 230.355 1.933 20 0 BDADMP CC[NH+](CC)C1CCC([N@@H+](C)C2COC2)CC1 ZINC001173115036 975027107 /nfs/dbraw/zinc/02/71/07/975027107.db2.gz WDDFQBDVGACVIE-UHFFFAOYSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2ncsc2C1 ZINC001173122707 975033449 /nfs/dbraw/zinc/03/34/49/975033449.db2.gz RXQJQAQISBKGMK-VIFPVBQESA-N 2 1 248.355 1.571 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC001173174366 975053196 /nfs/dbraw/zinc/05/31/96/975053196.db2.gz SDWMYLZXZGZXJN-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC001173174366 975053203 /nfs/dbraw/zinc/05/32/03/975053203.db2.gz SDWMYLZXZGZXJN-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC001173174366 975053210 /nfs/dbraw/zinc/05/32/10/975053210.db2.gz SDWMYLZXZGZXJN-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC(CCN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC001332400050 975095900 /nfs/dbraw/zinc/09/59/00/975095900.db2.gz HKYZSUQESDVBJF-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@H]1CC[C@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)C1 ZINC001173266531 975128558 /nfs/dbraw/zinc/12/85/58/975128558.db2.gz LYAVPAXODBMWBX-SDDRHHMPSA-N 2 1 242.363 1.435 20 0 BDADMP CCSC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001173297105 975184732 /nfs/dbraw/zinc/18/47/32/975184732.db2.gz BXPSUYSYTZVNFZ-LLVKDONJSA-N 2 1 234.409 1.032 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[NH+](CC)C1 ZINC001173350543 975294526 /nfs/dbraw/zinc/29/45/26/975294526.db2.gz PQNZZMDDIFTUPX-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCCN[C@@H]1CC[N@H+](CC)C1 ZINC001173350543 975294536 /nfs/dbraw/zinc/29/45/36/975294536.db2.gz PQNZZMDDIFTUPX-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCCN[C@@H]1CC[N@@H+](CC)C1 ZINC001173350543 975294542 /nfs/dbraw/zinc/29/45/42/975294542.db2.gz PQNZZMDDIFTUPX-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](CC)C1 ZINC001173350486 975295007 /nfs/dbraw/zinc/29/50/07/975295007.db2.gz PAXJXNFIMAIFKT-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001173361316 975333584 /nfs/dbraw/zinc/33/35/84/975333584.db2.gz USDWEDBJOFDXKQ-STQMWFEESA-N 2 1 245.370 1.643 20 0 BDADMP CCN([C@H]1CC[N@@H+](CC)C1)C1CC[NH+](C)CC1 ZINC001173363606 975337913 /nfs/dbraw/zinc/33/79/13/975337913.db2.gz PGRAIIYWVQZBHL-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@@H]([NH+](C)C3CC3)C2)C1 ZINC001173366513 975340201 /nfs/dbraw/zinc/34/02/01/975340201.db2.gz ACFOSALAVRMZKB-ZIAGYGMSSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@@H]([N@H+](C)C3CC3)C2)C1 ZINC001173366513 975340210 /nfs/dbraw/zinc/34/02/10/975340210.db2.gz ACFOSALAVRMZKB-ZIAGYGMSSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@@H]([N@@H+](C)C3CC3)C2)C1 ZINC001173366513 975340215 /nfs/dbraw/zinc/34/02/15/975340215.db2.gz ACFOSALAVRMZKB-ZIAGYGMSSA-N 2 1 237.391 1.249 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001173370268 975358546 /nfs/dbraw/zinc/35/85/46/975358546.db2.gz GIJJTKQLFZRANN-UONOGXRCSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC001173370268 975358553 /nfs/dbraw/zinc/35/85/53/975358553.db2.gz GIJJTKQLFZRANN-UONOGXRCSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC001173370268 975358559 /nfs/dbraw/zinc/35/85/59/975358559.db2.gz GIJJTKQLFZRANN-UONOGXRCSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc[nH]c(=O)c1 ZINC001333764859 976069902 /nfs/dbraw/zinc/06/99/02/976069902.db2.gz PCPJCYIRHUUGKM-AAEUAGOBSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc[nH]c(=O)c1 ZINC001333764859 976069919 /nfs/dbraw/zinc/06/99/19/976069919.db2.gz PCPJCYIRHUUGKM-AAEUAGOBSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC001333764859 976069946 /nfs/dbraw/zinc/06/99/46/976069946.db2.gz PCPJCYIRHUUGKM-AAEUAGOBSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC001333764859 976069962 /nfs/dbraw/zinc/06/99/62/976069962.db2.gz PCPJCYIRHUUGKM-AAEUAGOBSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC001334742033 976612150 /nfs/dbraw/zinc/61/21/50/976612150.db2.gz GHCYUSCQEOLEOZ-CHWSQXEVSA-N 2 1 236.363 1.393 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)O ZINC001335413265 977040960 /nfs/dbraw/zinc/04/09/60/977040960.db2.gz OISYTGSSHKVNFM-RYUDHWBXSA-N 2 1 216.369 1.323 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001335465599 977076398 /nfs/dbraw/zinc/07/63/98/977076398.db2.gz KJTXKLZABBCQBB-NHCYSSNCSA-N 2 1 228.336 1.010 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001335465599 977076413 /nfs/dbraw/zinc/07/64/13/977076413.db2.gz KJTXKLZABBCQBB-NHCYSSNCSA-N 2 1 228.336 1.010 20 0 BDADMP CCSCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001175203427 977309382 /nfs/dbraw/zinc/30/93/82/977309382.db2.gz NLBAYLQYJFZGPD-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP CCSCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001175203427 977309389 /nfs/dbraw/zinc/30/93/89/977309389.db2.gz NLBAYLQYJFZGPD-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001336050913 977457578 /nfs/dbraw/zinc/45/75/78/977457578.db2.gz JVFKTBTWERHXDG-NNYUYHANSA-N 2 1 226.364 1.218 20 0 BDADMP Cc1[nH+]cn(C)c1NC1=CCC[N@@H+](C)C1 ZINC001175577421 977589821 /nfs/dbraw/zinc/58/98/21/977589821.db2.gz TVGWKBGABAXMCS-UHFFFAOYSA-N 2 1 206.293 1.360 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC001336264031 977607346 /nfs/dbraw/zinc/60/73/46/977607346.db2.gz XHVDUYAWKYOXSK-NEPJUHHUSA-N 3 1 227.396 1.352 20 0 BDADMP c1c[nH+]c(N2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC001336396840 977659389 /nfs/dbraw/zinc/65/93/89/977659389.db2.gz VHUBOFLZFJIXQI-UHFFFAOYSA-N 2 1 229.287 1.131 20 0 BDADMP CC[C@@H](CNc1nc(N)cc(C)[nH+]1)[NH+]1CCCC1 ZINC001336478847 977707101 /nfs/dbraw/zinc/70/71/01/977707101.db2.gz JEGPKGXGXXOULJ-NSHDSACASA-N 2 1 249.362 1.654 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNc1nccnc1C[NH3+] ZINC001336504967 977732499 /nfs/dbraw/zinc/73/24/99/977732499.db2.gz FGHNTMVFCROXHB-JTQLQIEISA-N 2 1 237.351 1.078 20 0 BDADMP CO[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011768 977837476 /nfs/dbraw/zinc/83/74/76/977837476.db2.gz OYNGTYHIKURUCF-GFCCVEGCSA-N 2 1 231.299 1.784 20 0 BDADMP OC[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232013993 977838986 /nfs/dbraw/zinc/83/89/86/977838986.db2.gz FMKSXRXHHGQLQJ-JTQLQIEISA-N 2 1 231.299 1.377 20 0 BDADMP C[C@H](Nc1cc[nH+]cc1)[C@H](C)[NH+]1CCOCC1 ZINC001336908749 978049755 /nfs/dbraw/zinc/04/97/55/978049755.db2.gz HWYPCBBHURAQNM-RYUDHWBXSA-N 2 1 235.331 1.025 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cc(F)ccn3)C2)CC1 ZINC001232494912 978147135 /nfs/dbraw/zinc/14/71/35/978147135.db2.gz IXKQZSWRRRGDAA-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)O1 ZINC001206285280 978196449 /nfs/dbraw/zinc/19/64/49/978196449.db2.gz KRELEXGQSNYKMV-XQQFMLRXSA-N 2 1 238.375 1.833 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)O1 ZINC001206285280 978196454 /nfs/dbraw/zinc/19/64/54/978196454.db2.gz KRELEXGQSNYKMV-XQQFMLRXSA-N 2 1 238.375 1.833 20 0 BDADMP C[NH+](C)CCO[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001206288125 978256669 /nfs/dbraw/zinc/25/66/69/978256669.db2.gz VWZNDFQGXIAXCV-ITGUQSILSA-N 2 1 226.364 1.295 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC(C)(C)C[NH+](C)C)C1 ZINC000328315356 978270109 /nfs/dbraw/zinc/27/01/09/978270109.db2.gz CKKCOTJLQFWWLQ-GFCCVEGCSA-N 2 1 227.396 1.258 20 0 BDADMP CCN1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000328315356 978270113 /nfs/dbraw/zinc/27/01/13/978270113.db2.gz CKKCOTJLQFWWLQ-GFCCVEGCSA-N 2 1 227.396 1.258 20 0 BDADMP Cn1c[nH+]cc1N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277765246 978472981 /nfs/dbraw/zinc/47/29/81/978472981.db2.gz DCKMPHASCXMHFI-AWEZNQCLSA-N 2 1 248.374 1.732 20 0 BDADMP OCc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC001337804436 978505890 /nfs/dbraw/zinc/50/58/90/978505890.db2.gz DIBKUZNWBVDHKH-KBPBESRZSA-N 2 1 247.342 1.613 20 0 BDADMP Nc1nc(NC[C@@H]2CCCC[N@@H+]2C2CC2)cc[nH+]1 ZINC001337853886 978527997 /nfs/dbraw/zinc/52/79/97/978527997.db2.gz HTBJNLXXOAWNMR-NSHDSACASA-N 2 1 247.346 1.488 20 0 BDADMP Nc1nc(NC[C@@H]2CCCC[N@H+]2C2CC2)cc[nH+]1 ZINC001337853886 978528002 /nfs/dbraw/zinc/52/80/02/978528002.db2.gz HTBJNLXXOAWNMR-NSHDSACASA-N 2 1 247.346 1.488 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]ccc2=O)CC1 ZINC001206325716 978541379 /nfs/dbraw/zinc/54/13/79/978541379.db2.gz HWWRWGWTDKCVLO-AWEZNQCLSA-N 2 1 249.358 1.326 20 0 BDADMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nn1 ZINC001178916955 978641833 /nfs/dbraw/zinc/64/18/33/978641833.db2.gz RXKUKXCQFYEIBA-ZDUSSCGKSA-N 2 1 248.374 1.607 20 0 BDADMP CC[C@H](C)[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277806783 978682770 /nfs/dbraw/zinc/68/27/70/978682770.db2.gz ICDAZSWURHBDRS-IHRRRGAJSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+]1CCC(Oc2ccc3[nH+]ccn3c2)CC1 ZINC001233748062 978687859 /nfs/dbraw/zinc/68/78/59/978687859.db2.gz DVQCAWUWRFHDMS-UHFFFAOYSA-N 2 1 231.299 1.807 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](NCc3cnsc3)[C@@H]2C1 ZINC001179814915 978759085 /nfs/dbraw/zinc/75/90/85/978759085.db2.gz BRJOJEDZOOBIHZ-QJPTWQEYSA-N 2 1 237.372 1.573 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnsc3)[C@@H]2C1 ZINC001179814915 978759090 /nfs/dbraw/zinc/75/90/90/978759090.db2.gz BRJOJEDZOOBIHZ-QJPTWQEYSA-N 2 1 237.372 1.573 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnsc3)[C@@H]2C1 ZINC001179814915 978759095 /nfs/dbraw/zinc/75/90/95/978759095.db2.gz BRJOJEDZOOBIHZ-QJPTWQEYSA-N 2 1 237.372 1.573 20 0 BDADMP CC[NH+](CC)CCN(C)Cc1[nH]c(C)[nH+]c1C ZINC001234594103 978867757 /nfs/dbraw/zinc/86/77/57/978867757.db2.gz JBXXPKNSRBPIRE-UHFFFAOYSA-N 2 1 238.379 1.800 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001339669934 978891147 /nfs/dbraw/zinc/89/11/47/978891147.db2.gz JASBBNPYKYJREA-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP CC/C=C\CCCN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234983362 978942816 /nfs/dbraw/zinc/94/28/16/978942816.db2.gz YYMORHMNQVUYAT-VQTKUKTRSA-N 2 1 237.391 1.370 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](Nc3ccccn3)[C@H]2C1 ZINC001339999999 978954628 /nfs/dbraw/zinc/95/46/28/978954628.db2.gz QZQDOGVFCHIOST-SRVKXCTJSA-N 2 1 217.316 1.834 20 0 BDADMP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001235079381 978971323 /nfs/dbraw/zinc/97/13/23/978971323.db2.gz WUSXPEKTEROZFN-JHJVBQTASA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001235079381 978971326 /nfs/dbraw/zinc/97/13/26/978971326.db2.gz WUSXPEKTEROZFN-JHJVBQTASA-N 2 1 238.375 1.628 20 0 BDADMP OCCCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151639 978982284 /nfs/dbraw/zinc/98/22/84/978982284.db2.gz IRULNPOCHSCDCR-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP CC[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234498 979003342 /nfs/dbraw/zinc/00/33/42/979003342.db2.gz YWTZWPAPNPPJLH-KBPBESRZSA-N 3 1 239.407 1.578 20 0 BDADMP OCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378389 979032830 /nfs/dbraw/zinc/03/28/30/979032830.db2.gz HJHPJOSIOWOBJC-CABCVRRESA-N 2 1 246.354 1.058 20 0 BDADMP [NH3+]C1([C@@H]2C[N@@H+](CCCCCO)C[C@@H]2CF)CC1 ZINC001235398393 979036399 /nfs/dbraw/zinc/03/63/99/979036399.db2.gz VIISTFYDAOVAGE-NWDGAFQWSA-N 2 1 244.354 1.158 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429460 979045054 /nfs/dbraw/zinc/04/50/54/979045054.db2.gz YDSUAHLXRSAQJW-IHRRRGAJSA-N 2 1 239.407 1.435 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429460 979045060 /nfs/dbraw/zinc/04/50/60/979045060.db2.gz YDSUAHLXRSAQJW-IHRRRGAJSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)[C@@H]1CNCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001235456017 979050391 /nfs/dbraw/zinc/05/03/91/979050391.db2.gz IGBIHIYTRZWMBS-HNNXBMFYSA-N 2 1 247.386 1.575 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001235456017 979050396 /nfs/dbraw/zinc/05/03/96/979050396.db2.gz IGBIHIYTRZWMBS-HNNXBMFYSA-N 2 1 247.386 1.575 20 0 BDADMP C(C[N@H+]1CCCC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001235711139 979128560 /nfs/dbraw/zinc/12/85/60/979128560.db2.gz KJLAGXANXSNUNM-ZDUSSCGKSA-N 3 1 237.391 1.062 20 0 BDADMP C(CN1CCCC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001235711139 979128567 /nfs/dbraw/zinc/12/85/67/979128567.db2.gz KJLAGXANXSNUNM-ZDUSSCGKSA-N 2 1 237.391 1.062 20 0 BDADMP [NH3+]C[C@@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235750272 979139537 /nfs/dbraw/zinc/13/95/37/979139537.db2.gz OBWIGFHJXWOCQR-ZDUSSCGKSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235750272 979139542 /nfs/dbraw/zinc/13/95/42/979139542.db2.gz OBWIGFHJXWOCQR-ZDUSSCGKSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1cnccn1 ZINC001235760031 979144175 /nfs/dbraw/zinc/14/41/75/979144175.db2.gz LSXKGZYMZUMERU-LBPRGKRZSA-N 2 1 220.320 1.352 20 0 BDADMP CC1(C[N@H+]2CCNCC2(C)C)CC[NH2+]CC1 ZINC001235823073 979160564 /nfs/dbraw/zinc/16/05/64/979160564.db2.gz VZCNDTQMLWGVBU-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCN[C@H](c2ccccc2)C1 ZINC001235858869 979174020 /nfs/dbraw/zinc/17/40/20/979174020.db2.gz JQRSOSVCRBYGLG-HNNXBMFYSA-N 2 1 247.386 1.762 20 0 BDADMP [NH3+]CCCCCN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235858869 979174028 /nfs/dbraw/zinc/17/40/28/979174028.db2.gz JQRSOSVCRBYGLG-HNNXBMFYSA-N 2 1 247.386 1.762 20 0 BDADMP CC(=O)[C@H]1CCC[N@H+](C[C@@H]2CNC(C)(C)O2)C1 ZINC001235950076 979220867 /nfs/dbraw/zinc/22/08/67/979220867.db2.gz NORIFHWVAFXAMA-RYUDHWBXSA-N 2 1 240.347 1.012 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235976979 979237961 /nfs/dbraw/zinc/23/79/61/979237961.db2.gz DRDNKYHLRAQCBC-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCC1CCOCC1)C2 ZINC001235978173 979250071 /nfs/dbraw/zinc/25/00/71/979250071.db2.gz JAUWTTRUQSGYHU-OLZOCXBDSA-N 2 1 224.348 1.226 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C[C@H](C)O1 ZINC001235978894 979250631 /nfs/dbraw/zinc/25/06/31/979250631.db2.gz LOVZQEMIDWUCOT-NDKCEZKHSA-N 2 1 238.375 1.613 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235980003 979253492 /nfs/dbraw/zinc/25/34/92/979253492.db2.gz PNOZZCGBCVJBNT-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001235981821 979261028 /nfs/dbraw/zinc/26/10/28/979261028.db2.gz XSJIHKYGKLXMJI-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP Nc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235992211 979277120 /nfs/dbraw/zinc/27/71/20/979277120.db2.gz QXSBKYDEXPAYMR-DGCLKSJQSA-N 2 1 217.316 1.192 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235992211 979277135 /nfs/dbraw/zinc/27/71/35/979277135.db2.gz QXSBKYDEXPAYMR-DGCLKSJQSA-N 2 1 217.316 1.192 20 0 BDADMP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CCO1 ZINC001236017745 979306435 /nfs/dbraw/zinc/30/64/35/979306435.db2.gz SXSJUACPGKMXNC-MDZLAQPJSA-N 2 1 224.348 1.225 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CCO1 ZINC001236017745 979306445 /nfs/dbraw/zinc/30/64/45/979306445.db2.gz SXSJUACPGKMXNC-MDZLAQPJSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@H]1C[C@H](N)C[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001236046006 979341911 /nfs/dbraw/zinc/34/19/11/979341911.db2.gz ZSDFVDDDKPSUKJ-RYUDHWBXSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1C[C@H](N)C[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001236046006 979341924 /nfs/dbraw/zinc/34/19/24/979341924.db2.gz ZSDFVDDDKPSUKJ-RYUDHWBXSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C)N1CC[C@@H]1CCC[NH2+]C1 ZINC001236103679 979394005 /nfs/dbraw/zinc/39/40/05/979394005.db2.gz BZKXBRYBSJHIQN-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CCCC[C@H]1C[N@H+](CCC2C[NH2+]C2)CCN1 ZINC001236134853 979404762 /nfs/dbraw/zinc/40/47/62/979404762.db2.gz IAOKFIHUTZJPMD-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP CCCC[C@H]1C[N@@H+](CCC2C[NH2+]C2)CCN1 ZINC001236134853 979404770 /nfs/dbraw/zinc/40/47/70/979404770.db2.gz IAOKFIHUTZJPMD-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CCCC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236141072 979408863 /nfs/dbraw/zinc/40/88/63/979408863.db2.gz FVIVKWPJURNDEO-UHFFFAOYSA-N 3 1 247.386 1.503 20 0 BDADMP C[N@@H+](CCCC[NH3+])Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236142371 979409743 /nfs/dbraw/zinc/40/97/43/979409743.db2.gz WQVZNCUVDBFCOM-UHFFFAOYSA-N 3 1 247.386 1.503 20 0 BDADMP CCC[N@@H+](CCCC[NH3+])C1CC[NH2+]CC1 ZINC001236180572 979439165 /nfs/dbraw/zinc/43/91/65/979439165.db2.gz MFFQZRDFCJVWRS-UHFFFAOYSA-N 3 1 213.369 1.189 20 0 BDADMP CCC[N@H+](CCCC[NH3+])C1CCNCC1 ZINC001236180572 979439168 /nfs/dbraw/zinc/43/91/68/979439168.db2.gz MFFQZRDFCJVWRS-UHFFFAOYSA-N 2 1 213.369 1.189 20 0 BDADMP CCC[N@@H+](CCCC[NH3+])C1CCNCC1 ZINC001236180572 979439169 /nfs/dbraw/zinc/43/91/69/979439169.db2.gz MFFQZRDFCJVWRS-UHFFFAOYSA-N 2 1 213.369 1.189 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCCC[C@H]1N ZINC001236211428 979450394 /nfs/dbraw/zinc/45/03/94/979450394.db2.gz HZGDQGGDRATNHY-OLZOCXBDSA-N 2 1 227.396 1.707 20 0 BDADMP CN(CCCCCC[NH3+])[C@H]1CCCC[C@H]1[NH3+] ZINC001236211428 979450396 /nfs/dbraw/zinc/45/03/96/979450396.db2.gz HZGDQGGDRATNHY-OLZOCXBDSA-N 2 1 227.396 1.707 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H](NC2CC2)C1 ZINC001236216151 979452864 /nfs/dbraw/zinc/45/28/64/979452864.db2.gz KRXXZTZROTZJRD-AWEZNQCLSA-N 2 1 237.391 1.202 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H](NC2CC2)C1 ZINC001236216151 979452870 /nfs/dbraw/zinc/45/28/70/979452870.db2.gz KRXXZTZROTZJRD-AWEZNQCLSA-N 2 1 237.391 1.202 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)CCCC[NH3+])CC1 ZINC001236212677 979454645 /nfs/dbraw/zinc/45/46/45/979454645.db2.gz LQRLQDQFSPLLGE-UHFFFAOYSA-N 3 1 213.369 1.188 20 0 BDADMP C[N@H+](Cc1cccc(C[NH3+])c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213683 979455483 /nfs/dbraw/zinc/45/54/83/979455483.db2.gz CYKDTPFHEGWXQO-GJZGRUSLSA-N 3 1 247.386 1.847 20 0 BDADMP C[N@@H+](Cc1cccc(C[NH3+])c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213683 979455492 /nfs/dbraw/zinc/45/54/92/979455492.db2.gz CYKDTPFHEGWXQO-GJZGRUSLSA-N 3 1 247.386 1.847 20 0 BDADMP C[N@@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCCC[C@H]1N ZINC001236214680 979455712 /nfs/dbraw/zinc/45/57/12/979455712.db2.gz UQPVNCUAYMZOJU-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP CN(CC1(C)CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214680 979455724 /nfs/dbraw/zinc/45/57/24/979455724.db2.gz UQPVNCUAYMZOJU-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP O=c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc[nH]1 ZINC001236315627 979528912 /nfs/dbraw/zinc/52/89/12/979528912.db2.gz LSVOHCCIHOLMFY-BETUJISGSA-N 2 1 247.342 1.219 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC001341778459 979555433 /nfs/dbraw/zinc/55/54/33/979555433.db2.gz SFBFHGONHJHGKB-NWDGAFQWSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC001205255090 979731896 /nfs/dbraw/zinc/73/18/96/979731896.db2.gz GLONLSSBQJUPBW-ZDUSSCGKSA-N 3 1 227.396 1.709 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CCCCC[NH3+])CC1 ZINC001205257424 979759931 /nfs/dbraw/zinc/75/99/31/979759931.db2.gz VLGMIMJXEJZXAT-GFCCVEGCSA-N 3 1 213.369 1.319 20 0 BDADMP Cc1ccc(CCC[N@@H+](C)C[C@H](C)[NH3+])o1 ZINC001236885716 979781575 /nfs/dbraw/zinc/78/15/75/979781575.db2.gz PURNEYQQZQCBRJ-JTQLQIEISA-N 2 1 210.321 1.800 20 0 BDADMP Cc1ccc(CCC[N@H+](C)C[C@H](C)[NH3+])o1 ZINC001236885716 979781586 /nfs/dbraw/zinc/78/15/86/979781586.db2.gz PURNEYQQZQCBRJ-JTQLQIEISA-N 2 1 210.321 1.800 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2c1ccn2C ZINC001236895591 979785762 /nfs/dbraw/zinc/78/57/62/979785762.db2.gz TWXSJHXOSVNKTH-NSHDSACASA-N 2 1 231.343 1.957 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2c1ccn2C ZINC001236895591 979785768 /nfs/dbraw/zinc/78/57/68/979785768.db2.gz TWXSJHXOSVNKTH-NSHDSACASA-N 2 1 231.343 1.957 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001205263789 979813408 /nfs/dbraw/zinc/81/34/08/979813408.db2.gz CBNFXSHLRPHGML-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237376073 979876658 /nfs/dbraw/zinc/87/66/58/979876658.db2.gz OPGQHGWMTMTZAU-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@H+]1CCC[C@H](CNc2nc(N)cc(C)[nH+]2)C1 ZINC001342862529 979918705 /nfs/dbraw/zinc/91/87/05/979918705.db2.gz DHXVDZVKGSYDGS-LLVKDONJSA-N 2 1 249.362 1.511 20 0 BDADMP [NH3+]CCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001343021215 979980991 /nfs/dbraw/zinc/98/09/91/979980991.db2.gz IRZMANNUSPECBG-UHFFFAOYSA-N 2 1 248.330 1.359 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(C(F)F)C3)[C@H]2C1 ZINC001184389160 980062813 /nfs/dbraw/zinc/06/28/13/980062813.db2.gz VIHOCNCPJBEKFK-PFEFSLHISA-N 2 1 244.329 1.960 20 0 BDADMP C[NH+](C)CCCc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001250163868 980125416 /nfs/dbraw/zinc/12/54/16/980125416.db2.gz AFAIBCDYUKHVQY-UHFFFAOYSA-N 2 1 248.370 1.357 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238103130 980152972 /nfs/dbraw/zinc/15/29/72/980152972.db2.gz LKUFSLKSROQLSZ-MFKMUULPSA-N 2 1 231.299 1.289 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238103130 980152976 /nfs/dbraw/zinc/15/29/76/980152976.db2.gz LKUFSLKSROQLSZ-MFKMUULPSA-N 2 1 231.299 1.289 20 0 BDADMP C[C@]1(O)CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238105114 980156307 /nfs/dbraw/zinc/15/63/07/980156307.db2.gz CINZNKCIARMFSQ-ZDUSSCGKSA-N 2 1 231.299 1.291 20 0 BDADMP C[C@]1(O)CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238105114 980156312 /nfs/dbraw/zinc/15/63/12/980156312.db2.gz CINZNKCIARMFSQ-ZDUSSCGKSA-N 2 1 231.299 1.291 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cncs2)CC1 ZINC001205546000 980943781 /nfs/dbraw/zinc/94/37/81/980943781.db2.gz OGVCXOPBORPQQB-NSHDSACASA-N 2 1 243.351 1.796 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2nccn2C)CC[C@H]1C[NH3+] ZINC001205600437 981154527 /nfs/dbraw/zinc/15/45/27/981154527.db2.gz BSOWVDRUGCBFMA-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC001205600405 981154644 /nfs/dbraw/zinc/15/46/44/981154644.db2.gz BGARMFSBVMPVIJ-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC001205600442 981155899 /nfs/dbraw/zinc/15/58/99/981155899.db2.gz BSOWVDRUGCBFMA-VXGBXAGGSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccn2C)CC[C@@H]1C[NH3+] ZINC001205602768 981170793 /nfs/dbraw/zinc/17/07/93/981170793.db2.gz MGDFALCOMFPJEW-CHWSQXEVSA-N 2 1 235.375 1.832 20 0 BDADMP CC(C)C[N@@H+]1CC[C@H](CNc2cc(N)[nH+]cn2)C1 ZINC001348031286 981251681 /nfs/dbraw/zinc/25/16/81/981251681.db2.gz KLYQCVWUIOPZOH-LLVKDONJSA-N 2 1 249.362 1.449 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](CNc2cc(N)[nH+]cn2)C1 ZINC001348031286 981251692 /nfs/dbraw/zinc/25/16/92/981251692.db2.gz KLYQCVWUIOPZOH-LLVKDONJSA-N 2 1 249.362 1.449 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(O)c1 ZINC001348515318 981381622 /nfs/dbraw/zinc/38/16/22/981381622.db2.gz LGENHMJWONSUDV-SNVBAGLBSA-N 2 1 208.305 1.480 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001348840493 981454658 /nfs/dbraw/zinc/45/46/58/981454658.db2.gz MJNOLYYOUXIHJZ-BFHYXJOUSA-N 2 1 239.407 1.306 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(C2=CCC[NH2+]C2)n1 ZINC001240656674 981566219 /nfs/dbraw/zinc/56/62/19/981566219.db2.gz GMWWPKRSJRXHTN-UHFFFAOYSA-N 2 1 241.298 1.347 20 0 BDADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)O ZINC001194176799 981589289 /nfs/dbraw/zinc/58/92/89/981589289.db2.gz QIZCGEMVWDTRDP-OLZOCXBDSA-N 2 1 242.407 1.856 20 0 BDADMP OC1(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC001580880497 981673724 /nfs/dbraw/zinc/67/37/24/981673724.db2.gz QGVXDOQEIGYUOQ-QWHCGFSZSA-N 2 1 238.375 1.223 20 0 BDADMP CCCCCC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662943 981765686 /nfs/dbraw/zinc/76/56/86/981765686.db2.gz GBJWDAIPWIJSKP-ZDUSSCGKSA-N 2 1 228.380 1.742 20 0 BDADMP CCC(CC)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664110 981808627 /nfs/dbraw/zinc/80/86/27/981808627.db2.gz LTJGNSVUNLSBGY-ZDUSSCGKSA-N 2 1 228.380 1.598 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccs2)C1 ZINC001205664156 981816365 /nfs/dbraw/zinc/81/63/65/981816365.db2.gz MQSFFSITDKGVKK-LBPRGKRZSA-N 2 1 240.372 1.424 20 0 BDADMP C[N@@H+]1CC=C(c2[nH+]ccc3c2CCN3)CC1 ZINC001241309450 982452867 /nfs/dbraw/zinc/45/28/67/982452867.db2.gz SKIUBWZIHKOJOE-UHFFFAOYSA-N 2 1 215.300 1.769 20 0 BDADMP CCO[C@H](C[NH2+]CCC(C)C)C[NH+](C)C ZINC001352089219 982466890 /nfs/dbraw/zinc/46/68/90/982466890.db2.gz WIYFNXFDYIWDPY-GFCCVEGCSA-N 2 1 216.369 1.589 20 0 BDADMP C[NH+]1CCc2ncnc(C3=CC[N@@H+](C)CC3)c2C1 ZINC001241318132 982476332 /nfs/dbraw/zinc/47/63/32/982476332.db2.gz YXADNNAZNFXBHM-UHFFFAOYSA-N 2 1 244.342 1.183 20 0 BDADMP C[NH+]1CC=C(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001241318132 982476345 /nfs/dbraw/zinc/47/63/45/982476345.db2.gz YXADNNAZNFXBHM-UHFFFAOYSA-N 2 1 244.342 1.183 20 0 BDADMP C[NH+]1CC=C(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001241318132 982476357 /nfs/dbraw/zinc/47/63/57/982476357.db2.gz YXADNNAZNFXBHM-UHFFFAOYSA-N 2 1 244.342 1.183 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001205804280 982562939 /nfs/dbraw/zinc/56/29/39/982562939.db2.gz MLZBHJANFDWGIA-CHWSQXEVSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CC2(C)CC[NH2+]CC2)C1 ZINC001205804280 982562946 /nfs/dbraw/zinc/56/29/46/982562946.db2.gz MLZBHJANFDWGIA-CHWSQXEVSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCCn2cccn2)C1 ZINC001205804379 982568682 /nfs/dbraw/zinc/56/86/82/982568682.db2.gz NLUXJICKTWBPIS-OLZOCXBDSA-N 2 1 236.363 1.332 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCCn2cccn2)C1 ZINC001205804379 982568688 /nfs/dbraw/zinc/56/86/88/982568688.db2.gz NLUXJICKTWBPIS-OLZOCXBDSA-N 2 1 236.363 1.332 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001205902699 983117130 /nfs/dbraw/zinc/11/71/30/983117130.db2.gz KYFRXCCTCJIIJR-RYUDHWBXSA-N 3 1 243.370 1.137 20 0 BDADMP CC(C)C[C@H](CNc1cc[nH+]c(N)n1)[NH+](C)C ZINC001354072638 983138192 /nfs/dbraw/zinc/13/81/92/983138192.db2.gz XZNYYNLRDDIVLT-SNVBAGLBSA-N 2 1 237.351 1.447 20 0 BDADMP Cc1c[nH+]c(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1N ZINC001242022449 983234161 /nfs/dbraw/zinc/23/41/61/983234161.db2.gz SLKGOESBFMLQMN-MNOVXSKESA-N 2 1 215.300 1.880 20 0 BDADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CC)CC1 ZINC001201583076 983347587 /nfs/dbraw/zinc/34/75/87/983347587.db2.gz SYMWORUSKXITHL-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CC)CC1 ZINC001201583076 983347592 /nfs/dbraw/zinc/34/75/92/983347592.db2.gz SYMWORUSKXITHL-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]2C1 ZINC001355374924 983480402 /nfs/dbraw/zinc/48/04/02/983480402.db2.gz WCNKMRYJLALQRJ-MBNYWOFBSA-N 2 1 248.374 1.572 20 0 BDADMP C[C@@](O)(C[NH2+]CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001253115771 983971898 /nfs/dbraw/zinc/97/18/98/983971898.db2.gz VKXBGPCNZKEOJY-CQSZACIVSA-N 2 1 245.326 1.450 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC[NH2+]1 ZINC001576597832 984175932 /nfs/dbraw/zinc/17/59/32/984175932.db2.gz JEPSASZRNGYPIY-XHJNMGKDSA-N 2 1 238.375 1.077 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001253551549 984203307 /nfs/dbraw/zinc/20/33/07/984203307.db2.gz PJFPQUHRJNSLEX-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnsc2)C1 ZINC001202750323 984213749 /nfs/dbraw/zinc/21/37/49/984213749.db2.gz QYHBKHWMRIWODY-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001578620852 984216018 /nfs/dbraw/zinc/21/60/18/984216018.db2.gz ADPWIDQWXMLFLZ-AAEUAGOBSA-N 2 1 228.380 1.325 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC([NH3+])CC3)[C@H]2C1 ZINC001578520741 984217630 /nfs/dbraw/zinc/21/76/30/984217630.db2.gz GEPUEUARRLXNOD-ASUPZPJHSA-N 3 1 237.391 1.186 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001578620856 984218101 /nfs/dbraw/zinc/21/81/01/984218101.db2.gz ADPWIDQWXMLFLZ-DGCLKSJQSA-N 2 1 228.380 1.325 20 0 BDADMP CC[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275086443 984478195 /nfs/dbraw/zinc/47/81/95/984478195.db2.gz MDAFHVGXKCUJIW-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1[nH+]cn2ccccc12 ZINC001275139484 984500851 /nfs/dbraw/zinc/50/08/51/984500851.db2.gz PLVFRSWVFJVLSU-TXEJJXNPSA-N 2 1 242.326 1.223 20 0 BDADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1[nH+]cn2ccccc12 ZINC001275139484 984500857 /nfs/dbraw/zinc/50/08/57/984500857.db2.gz PLVFRSWVFJVLSU-TXEJJXNPSA-N 2 1 242.326 1.223 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(=O)OC ZINC001275159180 984507352 /nfs/dbraw/zinc/50/73/52/984507352.db2.gz YSBFUUBPYCOBDC-YOGCLGLASA-N 2 1 240.347 1.154 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cn[nH]c1)CC2 ZINC001275211123 984521748 /nfs/dbraw/zinc/52/17/48/984521748.db2.gz JTSQBKOJAPYAKJ-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP CC[NH+]1CCC(CN[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001577763605 984738434 /nfs/dbraw/zinc/73/84/34/984738434.db2.gz FWDRMSUWCIXVOC-RDBSUJKOSA-N 2 1 237.391 1.201 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)CC1 ZINC001577763605 984738477 /nfs/dbraw/zinc/73/84/77/984738477.db2.gz FWDRMSUWCIXVOC-RDBSUJKOSA-N 2 1 237.391 1.201 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001577771076 984774143 /nfs/dbraw/zinc/77/41/43/984774143.db2.gz RLMXAONJPZUEKK-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP CCN1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC001577778266 984777960 /nfs/dbraw/zinc/77/79/60/984777960.db2.gz OVSNAMPHAPQSMY-FRRDWIJNSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H](Cc1ccncc1)n1cc[nH+]c1CCC[NH3+] ZINC001256733167 984801855 /nfs/dbraw/zinc/80/18/55/984801855.db2.gz JNYULQUDFYYKOC-LBPRGKRZSA-N 2 1 244.342 1.973 20 0 BDADMP CC[NH2+]C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC001577821639 984806356 /nfs/dbraw/zinc/80/63/56/984806356.db2.gz ZYJFSBBAHBZEOB-UHFFFAOYSA-N 2 1 222.336 1.026 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001276104167 984817484 /nfs/dbraw/zinc/81/74/84/984817484.db2.gz ZQJQAWUVRRUDNS-UHFFFAOYSA-N 2 1 233.359 1.932 20 0 BDADMP Cn1cnc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001276271829 984838158 /nfs/dbraw/zinc/83/81/58/984838158.db2.gz XZQNRAFJUSDHTB-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC001578076002 984841971 /nfs/dbraw/zinc/84/19/71/984841971.db2.gz YBZBMLILEFLMFE-HZSPNIEDSA-N 2 1 238.375 1.343 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001578124428 984854781 /nfs/dbraw/zinc/85/47/81/984854781.db2.gz AKASSQPJCLMHNL-JGVFFNPUSA-N 2 1 228.258 1.281 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001578124429 984856139 /nfs/dbraw/zinc/85/61/39/984856139.db2.gz AKASSQPJCLMHNL-YUMQZZPRSA-N 2 1 228.258 1.281 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H](COC)CC(C)C ZINC001578241549 984891263 /nfs/dbraw/zinc/89/12/63/984891263.db2.gz APGRGCVAPXRNQT-XQQFMLRXSA-N 2 1 228.380 1.778 20 0 BDADMP CCc1ccc2c(c1)CC[N@H+](C[C@@](C)(O)C[NH3+])C2 ZINC001578263735 984913878 /nfs/dbraw/zinc/91/38/78/984913878.db2.gz VBBNGJPCVGWUOT-HNNXBMFYSA-N 2 1 248.370 1.317 20 0 BDADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH2+]C)cc1 ZINC001578263697 984917827 /nfs/dbraw/zinc/91/78/27/984917827.db2.gz SURKGTKPYHLKDB-RISCZKNCSA-N 2 1 236.359 1.480 20 0 BDADMP CCn1cnc(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC001578357463 984997466 /nfs/dbraw/zinc/99/74/66/984997466.db2.gz VYYBLOIEWIVHPT-MRVPVSSYSA-N 2 1 230.743 1.383 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000685995346 985032064 /nfs/dbraw/zinc/03/20/64/985032064.db2.gz VZSIVTSAMSEEKP-WDEREUQCSA-N 2 1 248.317 1.030 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000685995346 985032076 /nfs/dbraw/zinc/03/20/76/985032076.db2.gz VZSIVTSAMSEEKP-WDEREUQCSA-N 2 1 248.317 1.030 20 0 BDADMP CN(C)C1(C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC001578408835 985043339 /nfs/dbraw/zinc/04/33/39/985043339.db2.gz DDWVKVWCSNLCBS-GFCCVEGCSA-N 2 1 241.423 1.824 20 0 BDADMP C[N@H+](C[C@@H]1CCC2(CCC2)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450781 985084723 /nfs/dbraw/zinc/08/47/23/985084723.db2.gz ZSPNKHBPPOTMKO-WUHRBBMRSA-N 2 1 236.359 1.238 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(CCC2)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450781 985084739 /nfs/dbraw/zinc/08/47/39/985084739.db2.gz ZSPNKHBPPOTMKO-WUHRBBMRSA-N 2 1 236.359 1.238 20 0 BDADMP CN(CCC[NH2+]C1CC1)CC[N@@H+](C)C1CC1 ZINC001578469365 985098577 /nfs/dbraw/zinc/09/85/77/985098577.db2.gz XYCQVQWSMRVXDR-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP C[N@@H+](CCCOC(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578469235 985101677 /nfs/dbraw/zinc/10/16/77/985101677.db2.gz MDHNJGGUWYVGQK-BRPSZJMVSA-N 2 1 238.253 1.063 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000691985181 985109305 /nfs/dbraw/zinc/10/93/05/985109305.db2.gz JYAIXOYTKROGDR-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+](Cc1cc(C2C[NH2+]C2)no1)CC1CCC1 ZINC001578486125 985115212 /nfs/dbraw/zinc/11/52/12/985115212.db2.gz PSLFKBBOIZWDSX-UHFFFAOYSA-N 2 1 235.331 1.593 20 0 BDADMP C[N@H+](Cc1cc(O)cc(Cl)c1)C1CC([NH3+])C1 ZINC001578486262 985118605 /nfs/dbraw/zinc/11/86/05/985118605.db2.gz YQARQIRRXAIGEB-UHFFFAOYSA-N 2 1 240.734 1.967 20 0 BDADMP C[N@@H+](Cc1cc(O)cc(Cl)c1)C1CC([NH3+])C1 ZINC001578486262 985118610 /nfs/dbraw/zinc/11/86/10/985118610.db2.gz YQARQIRRXAIGEB-UHFFFAOYSA-N 2 1 240.734 1.967 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001578520349 985136843 /nfs/dbraw/zinc/13/68/43/985136843.db2.gz ANHBHSXNTZAVFA-REVZXKJASA-N 2 1 249.402 1.199 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001578520349 985136845 /nfs/dbraw/zinc/13/68/45/985136845.db2.gz ANHBHSXNTZAVFA-REVZXKJASA-N 3 1 249.402 1.199 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001578520349 985136847 /nfs/dbraw/zinc/13/68/47/985136847.db2.gz ANHBHSXNTZAVFA-REVZXKJASA-N 3 1 249.402 1.199 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)[C@H]2C1 ZINC001578520782 985139014 /nfs/dbraw/zinc/13/90/14/985139014.db2.gz GNJWRIOZZTVYHJ-BJJPWKGXSA-N 3 1 237.391 1.044 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(CC[NH3+])C3)[C@@H]2C1 ZINC001578520892 985142167 /nfs/dbraw/zinc/14/21/67/985142167.db2.gz IUETXAKSZHUIJN-IYIPPKHMSA-N 3 1 237.391 1.044 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3CC[C@]32CN)CC1 ZINC001578524421 985150893 /nfs/dbraw/zinc/15/08/93/985150893.db2.gz WFJWDJPPZJODGG-KBPBESRZSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC001578524421 985150904 /nfs/dbraw/zinc/15/09/04/985150904.db2.gz WFJWDJPPZJODGG-KBPBESRZSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC001578524421 985150911 /nfs/dbraw/zinc/15/09/11/985150911.db2.gz WFJWDJPPZJODGG-KBPBESRZSA-N 3 1 237.391 1.141 20 0 BDADMP O[C@@H](C[N@@H+]1C[C@@H]2CCCC[C@@H]21)C[NH+]1CCCC1 ZINC000686607224 985153329 /nfs/dbraw/zinc/15/33/29/985153329.db2.gz UFSHPOZZONUTTA-MJBXVCDLSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@@H](C[N@H+]1C[C@@H]2CCCC[C@@H]21)C[NH+]1CCCC1 ZINC000686607224 985153338 /nfs/dbraw/zinc/15/33/38/985153338.db2.gz UFSHPOZZONUTTA-MJBXVCDLSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+]1CCC[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC001578528958 985154566 /nfs/dbraw/zinc/15/45/66/985154566.db2.gz NDNGXYVBFBCNHX-BPLDGKMQSA-N 2 1 245.370 1.295 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC001578528958 985154576 /nfs/dbraw/zinc/15/45/76/985154576.db2.gz NDNGXYVBFBCNHX-BPLDGKMQSA-N 2 1 245.370 1.295 20 0 BDADMP CN1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC001578529582 985154711 /nfs/dbraw/zinc/15/47/11/985154711.db2.gz ZKJMBMNTXZKYIG-STQMWFEESA-N 2 1 225.380 1.188 20 0 BDADMP C[NH2+]C[C@@H](O)C[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC001578653650 985268438 /nfs/dbraw/zinc/26/84/38/985268438.db2.gz BBHLTBNBENOZFB-CQSZACIVSA-N 2 1 248.370 1.544 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000687214324 985270948 /nfs/dbraw/zinc/27/09/48/985270948.db2.gz IXAJRMMHBFTJBG-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]CCC[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001578687099 985300011 /nfs/dbraw/zinc/30/00/11/985300011.db2.gz LRZNKJGLBPIHBT-GHMZBOCLSA-N 2 1 200.326 1.095 20 0 BDADMP COC(=O)[C@]1(C)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001578779030 985340861 /nfs/dbraw/zinc/34/08/61/985340861.db2.gz XUHNRZVRAPNCFO-CYBMUJFWSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)[C@@H]1C ZINC001578790514 985360230 /nfs/dbraw/zinc/36/02/30/985360230.db2.gz YDFVBOIREWDCPM-PWSUYJOCSA-N 2 1 240.347 1.012 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)C1 ZINC001578832013 985406116 /nfs/dbraw/zinc/40/61/16/985406116.db2.gz FINDIDDEQPTRGR-MNOVXSKESA-N 2 1 242.363 1.306 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000688021082 985493677 /nfs/dbraw/zinc/49/36/77/985493677.db2.gz INJUVQXKYZHSLN-RHYQMDGZSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000688021082 985493706 /nfs/dbraw/zinc/49/37/06/985493706.db2.gz INJUVQXKYZHSLN-RHYQMDGZSA-N 2 1 212.337 1.094 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)CC(C)C ZINC001578913076 985514147 /nfs/dbraw/zinc/51/41/47/985514147.db2.gz RAOKRSLZZGLNER-NEPJUHHUSA-N 2 1 214.353 1.374 20 0 BDADMP COC1(C[NH2+][C@]23CCC[C@H]2C[NH2+]C3)CCC1 ZINC001578930845 985534413 /nfs/dbraw/zinc/53/44/13/985534413.db2.gz WJBREPBLISVCMM-AAEUAGOBSA-N 2 1 224.348 1.287 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])C12CCC2 ZINC001578936365 985547281 /nfs/dbraw/zinc/54/72/81/985547281.db2.gz RAKDUNYFBWLVLK-ZJUUUORDSA-N 2 1 212.337 1.271 20 0 BDADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578937116 985548117 /nfs/dbraw/zinc/54/81/17/985548117.db2.gz GTDZWKICPIPCGZ-NDBYEHHHSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1CC[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC001578938352 985550071 /nfs/dbraw/zinc/55/00/71/985550071.db2.gz RESUUCMNBNTQLM-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])CC1 ZINC001578937814 985556125 /nfs/dbraw/zinc/55/61/25/985556125.db2.gz OYNUWWKBTCAPCW-WDEREUQCSA-N 2 1 214.353 1.661 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[NH2+][C@@H]2C)CCC1 ZINC001578984020 985608115 /nfs/dbraw/zinc/60/81/15/985608115.db2.gz BMBOQOMBNLJJGX-MNOVXSKESA-N 2 1 212.337 1.143 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+]CCOc1ccccc1 ZINC001579002420 985652113 /nfs/dbraw/zinc/65/21/13/985652113.db2.gz BRNLRCIJLBYGBH-GFCCVEGCSA-N 2 1 238.331 1.019 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)c1cccs1 ZINC001579414998 985886608 /nfs/dbraw/zinc/88/66/08/985886608.db2.gz VBOYATNIWLNUPK-MWLCHTKSSA-N 2 1 226.345 1.123 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@]1(C)CCCO ZINC001579454398 985945441 /nfs/dbraw/zinc/94/54/41/985945441.db2.gz AIRJZPUIXIJIJS-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC001579455732 985946694 /nfs/dbraw/zinc/94/66/94/985946694.db2.gz OZMVTRBYTSDLTH-XBFCOCLRSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC001579455732 985946705 /nfs/dbraw/zinc/94/67/05/985946705.db2.gz OZMVTRBYTSDLTH-XBFCOCLRSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@]12CSC[C@@H]1C[N@@H+](CCC1C[NH2+]C1)C2 ZINC001579475483 985990210 /nfs/dbraw/zinc/99/02/10/985990210.db2.gz DJUBGWFREZXQSU-NWDGAFQWSA-N 2 1 226.389 1.281 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC001579499575 986026461 /nfs/dbraw/zinc/02/64/61/986026461.db2.gz UKRDMZOTQCYDQT-SEZDTBSWSA-N 2 1 218.291 1.760 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001579505380 986047664 /nfs/dbraw/zinc/04/76/64/986047664.db2.gz YUQBVISYGRLWNT-MOLYVOAJSA-N 2 1 236.359 1.284 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(F)nc2)C1 ZINC001206614851 986067974 /nfs/dbraw/zinc/06/79/74/986067974.db2.gz ADDQBJCZCJYTFZ-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC001206614851 986067993 /nfs/dbraw/zinc/06/79/93/986067993.db2.gz ADDQBJCZCJYTFZ-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP Cc1cc(C)cc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579581235 986093872 /nfs/dbraw/zinc/09/38/72/986093872.db2.gz LZEJSCSOIYKXQV-FICVDOATSA-N 2 1 230.355 1.953 20 0 BDADMP Cc1cc(C)cc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579581235 986093889 /nfs/dbraw/zinc/09/38/89/986093889.db2.gz LZEJSCSOIYKXQV-FICVDOATSA-N 2 1 230.355 1.953 20 0 BDADMP Cc1ccc([C@@H](O)C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001579672052 986172564 /nfs/dbraw/zinc/17/25/64/986172564.db2.gz XOVNDFWITNUGIF-LJISPDSOSA-N 2 1 246.354 1.178 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001579672052 986172601 /nfs/dbraw/zinc/17/26/01/986172601.db2.gz XOVNDFWITNUGIF-LJISPDSOSA-N 2 1 246.354 1.178 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[NH2+]C2)c1C ZINC001579761012 986219867 /nfs/dbraw/zinc/21/98/67/986219867.db2.gz URLWDRSXGHHTLU-CQSZACIVSA-N 2 1 234.343 1.117 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)[C@H]2CO)CC1 ZINC001462092776 986280059 /nfs/dbraw/zinc/28/00/59/986280059.db2.gz KJWPARMDGQMRNM-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001579887510 986306954 /nfs/dbraw/zinc/30/69/54/986306954.db2.gz FCMDQBVDDBTCDV-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccn3C3CC3)C[C@@H]2C1 ZINC001327950980 986307956 /nfs/dbraw/zinc/30/79/56/986307956.db2.gz AASMUPRFKRGUJX-BETUJISGSA-N 2 1 245.370 1.816 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccn3C3CC3)C[C@@H]2C1 ZINC001327950980 986307973 /nfs/dbraw/zinc/30/79/73/986307973.db2.gz AASMUPRFKRGUJX-BETUJISGSA-N 2 1 245.370 1.816 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccn3C3CC3)C[C@@H]2C1 ZINC001327950980 986307981 /nfs/dbraw/zinc/30/79/81/986307981.db2.gz AASMUPRFKRGUJX-BETUJISGSA-N 2 1 245.370 1.816 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccn3C3CC3)C[C@@H]2C1 ZINC001327950980 986307990 /nfs/dbraw/zinc/30/79/90/986307990.db2.gz AASMUPRFKRGUJX-BETUJISGSA-N 2 1 245.370 1.816 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC001579969077 986367955 /nfs/dbraw/zinc/36/79/55/986367955.db2.gz BUHFEMSVVHETBK-YUTCNCBUSA-N 2 1 248.374 1.194 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2)CC(F)(F)F ZINC001580131093 986603649 /nfs/dbraw/zinc/60/36/49/986603649.db2.gz ACUNRVVAYKTINZ-BZNPZCIMSA-N 2 1 238.253 1.176 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516245 986659562 /nfs/dbraw/zinc/65/95/62/986659562.db2.gz LEMPVIYLUSCASQ-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP [NH3+]C[C@H]([NH2+]CCCCCCO)C1CCCC1 ZINC001580229705 986677885 /nfs/dbraw/zinc/67/78/85/986677885.db2.gz SHRWTBCUTKBQIE-ZDUSSCGKSA-N 2 1 228.380 1.646 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC23CCC(CC2)C3)CCO1 ZINC001580274042 986721887 /nfs/dbraw/zinc/72/18/87/986721887.db2.gz CPEATLIWGCKVCJ-CPCZMJQVSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](CC23CCC(CC2)C3)CCO1 ZINC001580274042 986721885 /nfs/dbraw/zinc/72/18/85/986721885.db2.gz CPEATLIWGCKVCJ-CPCZMJQVSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@](F)(CO)C1 ZINC001580293185 986736713 /nfs/dbraw/zinc/73/67/13/986736713.db2.gz WEMMDDVTSZYACI-GFCCVEGCSA-N 2 1 232.343 1.302 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C1CCOCC1 ZINC001255047605 986803226 /nfs/dbraw/zinc/80/32/26/986803226.db2.gz VFJRKOBUBACNAO-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@@H]1CC[C@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C[NH2+]1 ZINC000383901636 986832099 /nfs/dbraw/zinc/83/20/99/986832099.db2.gz NSIXZRCILUOBGP-RDBSUJKOSA-N 2 1 237.391 1.155 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3ccncn3)C2)C1 ZINC001580418856 986837129 /nfs/dbraw/zinc/83/71/29/986837129.db2.gz IOOQRXPGFNYBEF-UPJWGTAASA-N 2 1 246.358 1.393 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC001580422642 986838446 /nfs/dbraw/zinc/83/84/46/986838446.db2.gz BAGOXARSJYRVJY-DTORHVGOSA-N 2 1 233.271 1.113 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000393255112 986859183 /nfs/dbraw/zinc/85/91/83/986859183.db2.gz KWPIUEBWUHBPNK-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP CCN(C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC001255488056 986988913 /nfs/dbraw/zinc/98/89/13/986988913.db2.gz XIGRZXOFJNMBCS-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CCN(C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC001255488056 986988923 /nfs/dbraw/zinc/98/89/23/986988923.db2.gz XIGRZXOFJNMBCS-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+](C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001255583107 987033465 /nfs/dbraw/zinc/03/34/65/987033465.db2.gz JNWFBFZBFZRQGT-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001255583107 987033477 /nfs/dbraw/zinc/03/34/77/987033477.db2.gz JNWFBFZBFZRQGT-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP C[C@@H](Cc1ccncc1)n1c[nH+]cc1CC[NH3+] ZINC001256715916 987274199 /nfs/dbraw/zinc/27/41/99/987274199.db2.gz JWYITNQMPMRPOX-NSHDSACASA-N 2 1 230.315 1.583 20 0 BDADMP C[C@H](Cc1ccncc1)n1c[nH+]cc1CC[NH3+] ZINC001256715915 987275098 /nfs/dbraw/zinc/27/50/98/987275098.db2.gz JWYITNQMPMRPOX-LLVKDONJSA-N 2 1 230.315 1.583 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000692517941 987290061 /nfs/dbraw/zinc/29/00/61/987290061.db2.gz XUGXWOLGABKKAW-UHFFFAOYSA-N 2 1 248.374 1.607 20 0 BDADMP C[C@@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692950605 987300657 /nfs/dbraw/zinc/30/06/57/987300657.db2.gz SGVWJRNMKBWVSV-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692950606 987301477 /nfs/dbraw/zinc/30/14/77/987301477.db2.gz SGVWJRNMKBWVSV-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001246017023 987303533 /nfs/dbraw/zinc/30/35/33/987303533.db2.gz PRHQDNGGTXOQGI-UONOGXRCSA-N 2 1 234.343 1.533 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246019901 987305196 /nfs/dbraw/zinc/30/51/96/987305196.db2.gz IYADGHULFSODLI-FRRDWIJNSA-N 2 1 228.380 1.310 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246020607 987306831 /nfs/dbraw/zinc/30/68/31/987306831.db2.gz IWHJAHBYATZLGE-KGLIPLIRSA-N 2 1 242.407 1.988 20 0 BDADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000693484731 987309989 /nfs/dbraw/zinc/30/99/89/987309989.db2.gz ZZSYGMLFWUZDLN-UHFFFAOYSA-N 2 1 236.363 1.762 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246026433 987323238 /nfs/dbraw/zinc/32/32/38/987323238.db2.gz VDLPVFMVLUQHHB-AVGNSLFASA-N 2 1 228.380 1.597 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246026433 987323245 /nfs/dbraw/zinc/32/32/45/987323245.db2.gz VDLPVFMVLUQHHB-AVGNSLFASA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027712 987324740 /nfs/dbraw/zinc/32/47/40/987324740.db2.gz YGXAODZFSLFGDB-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246026577 987326394 /nfs/dbraw/zinc/32/63/94/987326394.db2.gz UVDDUQDLAQIXBL-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246033675 987335207 /nfs/dbraw/zinc/33/52/07/987335207.db2.gz ONBDNLRCEUBGIT-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246033675 987335214 /nfs/dbraw/zinc/33/52/14/987335214.db2.gz ONBDNLRCEUBGIT-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[C@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246036880 987335802 /nfs/dbraw/zinc/33/58/02/987335802.db2.gz VIYVFZNXBIANIX-OLZOCXBDSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246036880 987335809 /nfs/dbraw/zinc/33/58/09/987335809.db2.gz VIYVFZNXBIANIX-OLZOCXBDSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054465 987347818 /nfs/dbraw/zinc/34/78/18/987347818.db2.gz ZPZGALTYOMRUBB-XQQFMLRXSA-N 2 1 240.391 1.325 20 0 BDADMP CC(C)(C)[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246054464 987350349 /nfs/dbraw/zinc/35/03/49/987350349.db2.gz ZPZGALTYOMRUBB-FRRDWIJNSA-N 2 1 240.391 1.325 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078404 987368369 /nfs/dbraw/zinc/36/83/69/987368369.db2.gz DHPZPTWWXUFJBM-XQQFMLRXSA-N 2 1 228.380 1.920 20 0 BDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOC1 ZINC000699316186 987372881 /nfs/dbraw/zinc/37/28/81/987372881.db2.gz XLYTXQUCULEJIY-WVMKXHBISA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699314180 987374022 /nfs/dbraw/zinc/37/40/22/987374022.db2.gz IUIALRAWVUTQQA-ODWCKFRGSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1CC[C@H](N[C@@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246080822 987377118 /nfs/dbraw/zinc/37/71/18/987377118.db2.gz OTEGNHNIELYWQX-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP C[N@H+]1CCC[C@H](NCC2([NH3+])CCCC2)CC1 ZINC001246084805 987382454 /nfs/dbraw/zinc/38/24/54/987382454.db2.gz RMNOXVLNZTVXDZ-LBPRGKRZSA-N 2 1 225.380 1.332 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086219 987385222 /nfs/dbraw/zinc/38/52/22/987385222.db2.gz SMZUSXCTDZIAEX-OBJOEFQTSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246086451 987387282 /nfs/dbraw/zinc/38/72/82/987387282.db2.gz AHRGTXPTCKMFOK-VOAKCMCISA-N 3 1 239.407 1.493 20 0 BDADMP F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246086599 987387605 /nfs/dbraw/zinc/38/76/05/987387605.db2.gz DSOBNPYSNOXNAR-MXWKQRLJSA-N 2 1 200.301 1.609 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246087658 987390504 /nfs/dbraw/zinc/39/05/04/987390504.db2.gz ZRWMARUUHFEZHX-USZNOCQGSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@]1(O)CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246089651 987393422 /nfs/dbraw/zinc/39/34/22/987393422.db2.gz AJPDORMTYCKAGM-UTUOFQBUSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[NH2+]1 ZINC001246090548 987394931 /nfs/dbraw/zinc/39/49/31/987394931.db2.gz YKFSBTLPKUVDKG-IRCOFANPSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2F)C[NH2+]1 ZINC001246090971 987396460 /nfs/dbraw/zinc/39/64/60/987396460.db2.gz CHFVDHNADLMSLW-WRWGMCAJSA-N 2 1 214.328 1.855 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246092611 987398292 /nfs/dbraw/zinc/39/82/92/987398292.db2.gz FFYMOSYVCHENMI-MCIONIFRSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCCCNC1 ZINC001246095437 987405615 /nfs/dbraw/zinc/40/56/15/987405615.db2.gz IQDCYFTTZIHGPY-HZSPNIEDSA-N 2 1 239.407 1.354 20 0 BDADMP C1C[C@H]2CC([NH2+][C@@H]3CCC[NH2+]CC3)C[C@@H]1[NH2+]2 ZINC001246096982 987409546 /nfs/dbraw/zinc/40/95/46/987409546.db2.gz MDNQOQSLTCJEGF-FKJOKYEKSA-N 3 1 223.364 1.001 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246098975 987414988 /nfs/dbraw/zinc/41/49/88/987414988.db2.gz QSHYTQBWPDFXLD-OLZOCXBDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCC[N@@H+](C)CC1 ZINC001246101816 987425343 /nfs/dbraw/zinc/42/53/43/987425343.db2.gz MMWGDZNCCDWVHN-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP CSCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246102530 987428119 /nfs/dbraw/zinc/42/81/19/987428119.db2.gz QAFAKHHFSJZGMX-OUAUKWLOSA-N 2 1 216.394 1.716 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C)CC2)C[NH2+]1 ZINC001246103830 987429967 /nfs/dbraw/zinc/42/99/67/987429967.db2.gz XZMLHHNOYXPHGC-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@@H+](C)CC2)[NH2+]C1 ZINC001246115386 987454922 /nfs/dbraw/zinc/45/49/22/987454922.db2.gz RRBZKYGNFZUMRG-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246116208 987458740 /nfs/dbraw/zinc/45/87/40/987458740.db2.gz VYTNKYTZBVHEFH-NFAWXSAZSA-N 2 1 247.386 1.990 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246117099 987460064 /nfs/dbraw/zinc/46/00/64/987460064.db2.gz IGWQXYIZXUNWRE-SYCZCVCYSA-N 3 1 237.391 1.247 20 0 BDADMP CCOC(=O)CCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246119556 987463307 /nfs/dbraw/zinc/46/33/07/987463307.db2.gz HDWQLSYLKNPVBQ-RYUDHWBXSA-N 2 1 242.363 1.450 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246123486 987472182 /nfs/dbraw/zinc/47/21/82/987472182.db2.gz APUMSRVPVJLHCY-AGIUHOORSA-N 2 1 237.391 1.249 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]C1)C1CC2(C1)CC[NH2+]CC2 ZINC001246123697 987474522 /nfs/dbraw/zinc/47/45/22/987474522.db2.gz AFUJKZNKQBSGQM-CYBMUJFWSA-N 3 1 237.391 1.108 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246129602 987476566 /nfs/dbraw/zinc/47/65/66/987476566.db2.gz GFHAUDMMXKBOFW-QJPTWQEYSA-N 2 1 224.348 1.286 20 0 BDADMP C[NH+](C)C1CCC(N[C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246129719 987477805 /nfs/dbraw/zinc/47/78/05/987477805.db2.gz HHFBZHFGMIDNNV-WXRRBKDZSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@@H](C)C1 ZINC001246132447 987484437 /nfs/dbraw/zinc/48/44/37/987484437.db2.gz CXTLJQLLVBSWMO-GSZZWUTPSA-N 2 1 238.375 1.388 20 0 BDADMP CCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246150005 987507586 /nfs/dbraw/zinc/50/75/86/987507586.db2.gz FAJQJFKQJOTUKL-MNOVXSKESA-N 2 1 230.352 1.435 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[NH2+]1 ZINC001246152960 987513473 /nfs/dbraw/zinc/51/34/73/987513473.db2.gz OKVIZYYGSYKQLH-UEEZHKSASA-N 2 1 246.354 1.375 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@H]1CCCC[NH2+]C1 ZINC001246161311 987520014 /nfs/dbraw/zinc/52/00/14/987520014.db2.gz JFRCPGVIUAADKM-AWEZNQCLSA-N 2 1 241.423 1.840 20 0 BDADMP CCOC(CCC[NH2+][C@@H]1CCC[NH2+]C1)OCC ZINC001246163833 987528862 /nfs/dbraw/zinc/52/88/62/987528862.db2.gz KRVDBXGROJXMPJ-GFCCVEGCSA-N 2 1 244.379 1.507 20 0 BDADMP [NH3+]CCCCCC[NH2+][C@@H]1CCCCNC1 ZINC001246165902 987529628 /nfs/dbraw/zinc/52/96/28/987529628.db2.gz RZVGANZEICRGOR-GFCCVEGCSA-N 2 1 213.369 1.237 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[NH2+]C1 ZINC001246168894 987534781 /nfs/dbraw/zinc/53/47/81/987534781.db2.gz FWXNYQCHKZDCLH-GFCCVEGCSA-N 2 1 213.369 1.060 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246176033 987542326 /nfs/dbraw/zinc/54/23/26/987542326.db2.gz JXTRRCMHSPHOHO-KOLCDFICSA-N 3 1 222.336 1.006 20 0 BDADMP C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC001246186235 987566309 /nfs/dbraw/zinc/56/63/09/987566309.db2.gz GPUISYGIJRZHJR-MGPQQGTHSA-N 2 1 237.391 1.250 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2(C3CCOCC3)CC2)C[NH2+]1 ZINC001246194220 987585969 /nfs/dbraw/zinc/58/59/69/987585969.db2.gz GRDJPUQWDMGSPO-WCQYABFASA-N 2 1 238.375 1.676 20 0 BDADMP [NH3+]Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246196299 987591407 /nfs/dbraw/zinc/59/14/07/987591407.db2.gz SKQAAQHMGQZLOW-YIONKMFJSA-N 2 1 245.370 1.518 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CCC[NH2+]C1)C2 ZINC001246199579 987595083 /nfs/dbraw/zinc/59/50/83/987595083.db2.gz XIIYOPHLNIKOQY-XDQVBPFNSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC001246199579 987595089 /nfs/dbraw/zinc/59/50/89/987595089.db2.gz XIIYOPHLNIKOQY-XDQVBPFNSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC001246199579 987595097 /nfs/dbraw/zinc/59/50/97/987595097.db2.gz XIIYOPHLNIKOQY-XDQVBPFNSA-N 3 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246203458 987600443 /nfs/dbraw/zinc/60/04/43/987600443.db2.gz AVMBQERDJZMAAZ-AAVRWANBSA-N 3 1 239.407 1.482 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206015 987601983 /nfs/dbraw/zinc/60/19/83/987601983.db2.gz WHSSQZNXHROGPA-MQYQWHSLSA-N 3 1 239.407 1.623 20 0 BDADMP C1CC2(C[NH2+]1)CCC([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246214354 987609033 /nfs/dbraw/zinc/60/90/33/987609033.db2.gz HKIOZFIKDHVMOY-ROKHWSDSSA-N 3 1 237.391 1.250 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246223214 987620139 /nfs/dbraw/zinc/62/01/39/987620139.db2.gz QLDQYLFDGAMJJE-CABZTGNLSA-N 2 1 220.320 1.015 20 0 BDADMP Cc1c(F)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC001246225465 987621450 /nfs/dbraw/zinc/62/14/50/987621450.db2.gz MXURQRKZNXZMDH-UHFFFAOYSA-N 2 1 222.307 1.976 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH3+])CC[NH2+]1 ZINC001246253490 987651616 /nfs/dbraw/zinc/65/16/16/987651616.db2.gz YSMLFWQYQSRZGB-OLZOCXBDSA-N 3 1 241.423 1.872 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2=O)CC[NH2+]1 ZINC001246262067 987651893 /nfs/dbraw/zinc/65/18/93/987651893.db2.gz HLTQHZITIXSWRG-OUAUKWLOSA-N 2 1 210.321 1.228 20 0 BDADMP CCCC[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH3+])CC[NH2+]1 ZINC001246253493 987652486 /nfs/dbraw/zinc/65/24/86/987652486.db2.gz YSMLFWQYQSRZGB-QWHCGFSZSA-N 3 1 241.423 1.872 20 0 BDADMP CCCC(CCC)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246299533 987693770 /nfs/dbraw/zinc/69/37/70/987693770.db2.gz LRVHMKGIQULNDI-ZYHUDNBSSA-N 2 1 214.353 1.125 20 0 BDADMP CC[C@@H]1CC([NH2+][C@@H](C)CC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246301679 987698151 /nfs/dbraw/zinc/69/81/51/987698151.db2.gz UVSQUMQTHALNTE-QJPTWQEYSA-N 3 1 227.396 1.623 20 0 BDADMP CC[C@H](N)C[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246310953 987712598 /nfs/dbraw/zinc/71/25/98/987712598.db2.gz AWHUNVMVHMBYFU-XQQFMLRXSA-N 2 1 225.380 1.236 20 0 BDADMP [NH3+][C@@]12CC[C@@]([NH2+]C3CC[NH2+]CC3)(C1)CCC2 ZINC001246341012 987750151 /nfs/dbraw/zinc/75/01/51/987750151.db2.gz NGHKVLYVGJKSDU-QWHCGFSZSA-N 3 1 223.364 1.132 20 0 BDADMP [NH3+][C@@]12CC[C@@]([NH2+]C3C[C@@H]4C=C[C@H](C3)[NH2+]4)(C1)CCC2 ZINC001246342819 987753184 /nfs/dbraw/zinc/75/31/84/987753184.db2.gz VDTQIWIXWGNJJE-FIBILERRSA-N 3 1 247.386 1.439 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CCC[NH+](C)C1 ZINC001474556493 987758519 /nfs/dbraw/zinc/75/85/19/987758519.db2.gz BIEPSNLTEMWSIB-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[NH+](C)C1 ZINC001474556493 987758527 /nfs/dbraw/zinc/75/85/27/987758527.db2.gz BIEPSNLTEMWSIB-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CCC[N@H+](C)C1 ZINC001474556493 987758532 /nfs/dbraw/zinc/75/85/32/987758532.db2.gz BIEPSNLTEMWSIB-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CCC[N@@H+](C)C1 ZINC001474556493 987758537 /nfs/dbraw/zinc/75/85/37/987758537.db2.gz BIEPSNLTEMWSIB-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246356419 987763833 /nfs/dbraw/zinc/76/38/33/987763833.db2.gz HDWQLSYLKNPVBQ-VXGBXAGGSA-N 2 1 242.363 1.450 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CN(c3ccccn3)C2)CC[NH2+]1 ZINC001246368110 987770968 /nfs/dbraw/zinc/77/09/68/987770968.db2.gz NXNYSSFWVZDFNW-NEPJUHHUSA-N 2 1 246.358 1.000 20 0 BDADMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246369902 987773338 /nfs/dbraw/zinc/77/33/38/987773338.db2.gz DJBXMQZCZNTZGG-OAHLLOKOSA-N 2 1 230.355 1.743 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246372332 987775706 /nfs/dbraw/zinc/77/57/06/987775706.db2.gz LEALCWMYOKZECJ-GRYCIOLGSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cncn2CC2CC2)CC[NH2+]1 ZINC001246426670 987796771 /nfs/dbraw/zinc/79/67/71/987796771.db2.gz IWWNNGRRMZBOIC-WCQYABFASA-N 2 1 248.374 1.523 20 0 BDADMP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246442287 987798033 /nfs/dbraw/zinc/79/80/33/987798033.db2.gz CUJMGJUJKBNGNN-BQBZGAKWSA-N 2 1 208.227 1.279 20 0 BDADMP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)CS2 ZINC001246444261 987803801 /nfs/dbraw/zinc/80/38/01/987803801.db2.gz JLGAHZYKBKGPPC-YPMHNXCESA-N 2 1 246.379 1.655 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453835 987809048 /nfs/dbraw/zinc/80/90/48/987809048.db2.gz PYVRYOSAMDOOMH-VXGBXAGGSA-N 3 1 213.369 1.093 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)C[NH2+]1 ZINC001246460853 987820238 /nfs/dbraw/zinc/82/02/38/987820238.db2.gz KFOHMPZZMRTUFA-RNJOBUHISA-N 2 1 226.364 1.410 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)C[NH2+]1 ZINC001246460959 987820368 /nfs/dbraw/zinc/82/03/68/987820368.db2.gz LXBKFPFHSAKFKM-CYDGBPFRSA-N 2 1 226.364 1.268 20 0 BDADMP c1ccc2c(c1)NC[C@H]2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246475594 987830589 /nfs/dbraw/zinc/83/05/89/987830589.db2.gz UZHBGTMDGOHLPD-VXGBXAGGSA-N 2 1 231.343 1.537 20 0 BDADMP CCCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246489509 987843269 /nfs/dbraw/zinc/84/32/69/987843269.db2.gz NPYAGWZYVIPGGU-STQMWFEESA-N 2 1 227.396 1.496 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246489421 987844329 /nfs/dbraw/zinc/84/43/29/987844329.db2.gz NKTGULGGUVKQPQ-OLZOCXBDSA-N 2 1 227.396 1.352 20 0 BDADMP CCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246490181 987844783 /nfs/dbraw/zinc/84/47/83/987844783.db2.gz OUAHBDBTPRBJQK-QWHCGFSZSA-N 2 1 227.396 1.496 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246490519 987845392 /nfs/dbraw/zinc/84/53/92/987845392.db2.gz DCHPTFMRKFPNJC-FEPKRQSRSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@H]1CC[C@H](NC2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246490519 987845396 /nfs/dbraw/zinc/84/53/96/987845396.db2.gz DCHPTFMRKFPNJC-FEPKRQSRSA-N 2 1 237.391 1.249 20 0 BDADMP CCCC[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246497011 987852937 /nfs/dbraw/zinc/85/29/37/987852937.db2.gz NPPHWJQOOJTQEN-ZIAGYGMSSA-N 2 1 241.423 1.742 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC001246511493 987863006 /nfs/dbraw/zinc/86/30/06/987863006.db2.gz BWEMTUNHMZKQRN-RDBSUJKOSA-N 2 1 239.407 1.447 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CO1 ZINC001246539716 987905081 /nfs/dbraw/zinc/90/50/81/987905081.db2.gz IGGGQYQFZCQIIV-GHMZBOCLSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246541979 987914633 /nfs/dbraw/zinc/91/46/33/987914633.db2.gz HZPQOBKWTRFACI-RDBSUJKOSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@@H]1COC(C)(C)C1 ZINC001246547009 987924811 /nfs/dbraw/zinc/92/48/11/987924811.db2.gz OQRWYONJJDOCFX-DCAQKATOSA-N 2 1 212.337 1.366 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1COC(C)(C)C1 ZINC001246547009 987924816 /nfs/dbraw/zinc/92/48/16/987924816.db2.gz OQRWYONJJDOCFX-DCAQKATOSA-N 2 1 212.337 1.366 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001246561748 987999070 /nfs/dbraw/zinc/99/90/70/987999070.db2.gz LAXDLWAUHFLTLI-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246563271 988001900 /nfs/dbraw/zinc/00/19/00/988001900.db2.gz PTRAUMDBKGXJLQ-XJFOESAGSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563928 988012982 /nfs/dbraw/zinc/01/29/82/988012982.db2.gz YHIVVAFXSXOVBQ-RFGFWPKPSA-N 2 1 239.407 1.434 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C)cn1 ZINC001118122091 988025070 /nfs/dbraw/zinc/02/50/70/988025070.db2.gz OPTSYCBXPIYMSX-GHMZBOCLSA-N 2 1 224.352 1.552 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(C)nn1C ZINC001118122261 988027167 /nfs/dbraw/zinc/02/71/67/988027167.db2.gz SGUIYHVGOHUGJN-GXSJLCMTSA-N 2 1 224.352 1.235 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](N)[C@H](F)CC2)CCO1 ZINC001246570944 988055511 /nfs/dbraw/zinc/05/55/11/988055511.db2.gz QUJQVLMMIPILMO-IRCOFANPSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCO1 ZINC001246570944 988055527 /nfs/dbraw/zinc/05/55/27/988055527.db2.gz QUJQVLMMIPILMO-IRCOFANPSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCO1 ZINC001246570944 988055540 /nfs/dbraw/zinc/05/55/40/988055540.db2.gz QUJQVLMMIPILMO-IRCOFANPSA-N 2 1 230.327 1.315 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CO1 ZINC001246574435 988076775 /nfs/dbraw/zinc/07/67/75/988076775.db2.gz YBYVDZLCEDXVAI-DCAQKATOSA-N 2 1 230.327 1.315 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CO1 ZINC001246574435 988076791 /nfs/dbraw/zinc/07/67/91/988076791.db2.gz YBYVDZLCEDXVAI-DCAQKATOSA-N 2 1 230.327 1.315 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246575213 988077228 /nfs/dbraw/zinc/07/72/28/988077228.db2.gz ZVKWODHSQUVTHD-UMSGYPCISA-N 2 1 244.354 1.705 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246575213 988077240 /nfs/dbraw/zinc/07/72/40/988077240.db2.gz ZVKWODHSQUVTHD-UMSGYPCISA-N 2 1 244.354 1.705 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246576492 988077665 /nfs/dbraw/zinc/07/76/65/988077665.db2.gz KLJWXMRZYGHWPW-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(CO)CC2)CC[NH2+]1 ZINC001246577448 988092546 /nfs/dbraw/zinc/09/25/46/988092546.db2.gz RKTVYEAFRJDHGH-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(CO)CC2)CC[NH2+]1 ZINC001246577445 988093364 /nfs/dbraw/zinc/09/33/64/988093364.db2.gz RKTVYEAFRJDHGH-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@]1(F)CCCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246579107 988102241 /nfs/dbraw/zinc/10/22/41/988102241.db2.gz YAFHKZICYXIAMY-LBPRGKRZSA-N 2 1 214.328 1.953 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246581993 988115264 /nfs/dbraw/zinc/11/52/64/988115264.db2.gz LYSFVZJDJXJBQH-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246582817 988123668 /nfs/dbraw/zinc/12/36/68/988123668.db2.gz TZEOVWBWUSEMBJ-FRRDWIJNSA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246582817 988123687 /nfs/dbraw/zinc/12/36/87/988123687.db2.gz TZEOVWBWUSEMBJ-FRRDWIJNSA-N 2 1 244.354 1.707 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246582940 988128560 /nfs/dbraw/zinc/12/85/60/988128560.db2.gz PILGMMDKILXTTP-NWDGAFQWSA-N 3 1 213.369 1.045 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246582940 988128567 /nfs/dbraw/zinc/12/85/67/988128567.db2.gz PILGMMDKILXTTP-NWDGAFQWSA-N 3 1 213.369 1.045 20 0 BDADMP CCC(CC)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246586697 988149911 /nfs/dbraw/zinc/14/99/11/988149911.db2.gz MZODBIBQZDILOI-QWRGUYRKSA-N 2 1 202.317 1.936 20 0 BDADMP CCC(CC)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246586697 988149917 /nfs/dbraw/zinc/14/99/17/988149917.db2.gz MZODBIBQZDILOI-QWRGUYRKSA-N 2 1 202.317 1.936 20 0 BDADMP CCCCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246588768 988158542 /nfs/dbraw/zinc/15/85/42/988158542.db2.gz XQTIKJSSXCLNDE-GRYCIOLGSA-N 2 1 214.353 1.207 20 0 BDADMP CC1(C[NH3+])C[NH+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246589600 988165310 /nfs/dbraw/zinc/16/53/10/988165310.db2.gz POYFNWBOXQIWKH-LBPRGKRZSA-N 2 1 248.345 1.964 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246590258 988165961 /nfs/dbraw/zinc/16/59/61/988165961.db2.gz RZEMEXWOQOHHFO-FDYHWXHSSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246590258 988165977 /nfs/dbraw/zinc/16/59/77/988165977.db2.gz RZEMEXWOQOHHFO-FDYHWXHSSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)O ZINC001246593041 988177443 /nfs/dbraw/zinc/17/74/43/988177443.db2.gz RJPDQIQJFHSFCG-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2CCCC2)CC[C@@H]1F ZINC001246594546 988183785 /nfs/dbraw/zinc/18/37/85/988183785.db2.gz WYEWHTZIFRPTIW-WDEREUQCSA-N 2 1 200.301 1.690 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2CCCC2)CC[C@@H]1F ZINC001246594546 988183796 /nfs/dbraw/zinc/18/37/96/988183796.db2.gz WYEWHTZIFRPTIW-WDEREUQCSA-N 2 1 200.301 1.690 20 0 BDADMP OCc1ccc2c(c1)CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246597158 988194176 /nfs/dbraw/zinc/19/41/76/988194176.db2.gz WMITUBNRIGRNOY-UHFFFAOYSA-N 2 1 246.354 1.289 20 0 BDADMP OCc1ccc2c(c1)CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246597158 988194189 /nfs/dbraw/zinc/19/41/89/988194189.db2.gz WMITUBNRIGRNOY-UHFFFAOYSA-N 2 1 246.354 1.289 20 0 BDADMP CCOC(=O)CCC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246601353 988204557 /nfs/dbraw/zinc/20/45/57/988204557.db2.gz UWDVHYCHCMJLIU-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP C1C[N@@H+](C2CC[NH2+]CC2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246609555 988232500 /nfs/dbraw/zinc/23/25/00/988232500.db2.gz ZMXKGTMXCTXOPJ-CQSZACIVSA-N 2 1 237.391 1.347 20 0 BDADMP C1CN(C2CC[NH2+]CC2)[C@@]2(C1)CCC[NH2+]CC2 ZINC001246609555 988232519 /nfs/dbraw/zinc/23/25/19/988232519.db2.gz ZMXKGTMXCTXOPJ-CQSZACIVSA-N 2 1 237.391 1.347 20 0 BDADMP C1CC12CNCC[N@H+]2[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246621299 988264584 /nfs/dbraw/zinc/26/45/84/988264584.db2.gz CIUNJOBBHTTWQZ-KBPBESRZSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12C[NH2+]CCN2[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246621299 988264609 /nfs/dbraw/zinc/26/46/09/988264609.db2.gz CIUNJOBBHTTWQZ-KBPBESRZSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12CNCC[N@H+]2[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246621301 988269871 /nfs/dbraw/zinc/26/98/71/988269871.db2.gz CIUNJOBBHTTWQZ-UONOGXRCSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12C[NH2+]CCN2[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246621301 988269883 /nfs/dbraw/zinc/26/98/83/988269883.db2.gz CIUNJOBBHTTWQZ-UONOGXRCSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628055 988291348 /nfs/dbraw/zinc/29/13/48/988291348.db2.gz LZAUMBYYKQTIII-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1CC[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628055 988291375 /nfs/dbraw/zinc/29/13/75/988291375.db2.gz LZAUMBYYKQTIII-YIYPIFLZSA-N 2 1 237.391 1.058 20 0 BDADMP CC1(C)[C@@H]2C[C@H](N3CC[NH2+]C[C@]34CC[NH2+]C4)C[C@@H]21 ZINC001246629526 988304507 /nfs/dbraw/zinc/30/45/07/988304507.db2.gz OLIOGWKWVFZINO-QVHKTLOISA-N 2 1 249.402 1.058 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639032 988340746 /nfs/dbraw/zinc/34/07/46/988340746.db2.gz MXVUVTOTOOKDLZ-OLZOCXBDSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639032 988340762 /nfs/dbraw/zinc/34/07/62/988340762.db2.gz MXVUVTOTOOKDLZ-OLZOCXBDSA-N 3 1 237.391 1.202 20 0 BDADMP CCCCC[C@@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246640732 988346935 /nfs/dbraw/zinc/34/69/35/988346935.db2.gz GWNFNHWELXAZIY-KGLIPLIRSA-N 2 1 239.407 1.593 20 0 BDADMP CC1(C)CC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246642720 988350633 /nfs/dbraw/zinc/35/06/33/988350633.db2.gz NELSKEBUPXFJOK-TZMCWYRMSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)CC[C@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642971 988355180 /nfs/dbraw/zinc/35/51/80/988355180.db2.gz NQUBCXVLGLEJDH-UONOGXRCSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645515 988365511 /nfs/dbraw/zinc/36/55/11/988365511.db2.gz BYHCNMRWUGTRTL-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP C1CO[C@H]2C[N@H+](C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001246648421 988368190 /nfs/dbraw/zinc/36/81/90/988368190.db2.gz PQRBAFVRLFXJNK-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246649984 988372775 /nfs/dbraw/zinc/37/27/75/988372775.db2.gz ALKNEEBHRNCOHC-STQMWFEESA-N 3 1 237.391 1.345 20 0 BDADMP C[C@H]1C[C@@H](N2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246649984 988372785 /nfs/dbraw/zinc/37/27/85/988372785.db2.gz ALKNEEBHRNCOHC-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP CCCC[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656140 988387596 /nfs/dbraw/zinc/38/75/96/988387596.db2.gz IVDFXZKWGJUXKH-MEBFFEOJSA-N 3 1 237.391 1.186 20 0 BDADMP CCCC[C@H]1C[C@H](N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656140 988387607 /nfs/dbraw/zinc/38/76/07/988387607.db2.gz IVDFXZKWGJUXKH-MEBFFEOJSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@H]1CNCC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246675859 988420819 /nfs/dbraw/zinc/42/08/19/988420819.db2.gz YOIXEGOZXJYYTJ-IHRRRGAJSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246677219 988422475 /nfs/dbraw/zinc/42/24/75/988422475.db2.gz HBDADJAJJBAHOK-DGCLKSJQSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246687609 988435153 /nfs/dbraw/zinc/43/51/53/988435153.db2.gz AWJJZOAAYKLIJU-RVMXOQNASA-N 2 1 225.380 1.151 20 0 BDADMP C(C1CC1)[N@H+]1CCC2(CN([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246722536 988448901 /nfs/dbraw/zinc/44/89/01/988448901.db2.gz QWDADMSSLRAAGT-AWEZNQCLSA-N 2 1 249.402 1.156 20 0 BDADMP CO[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246761735 988455050 /nfs/dbraw/zinc/45/50/50/988455050.db2.gz WJFVIIRJRJLRKT-ZOBORPQBSA-N 2 1 238.375 1.485 20 0 BDADMP c1ccc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)nc1 ZINC001246790903 988469950 /nfs/dbraw/zinc/46/99/50/988469950.db2.gz OKYRHUFJVDGRIX-CQSZACIVSA-N 2 1 231.343 1.971 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246793775 988473038 /nfs/dbraw/zinc/47/30/38/988473038.db2.gz DMPHEEIGHIPEKT-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](n3cncn3)C2)CC[NH2+]1 ZINC001246823122 988511489 /nfs/dbraw/zinc/51/14/89/988511489.db2.gz NCKOUQSDHKELDE-UPJWGTAASA-N 2 1 249.362 1.056 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCO3)CC2)CC[NH2+]1 ZINC001246832891 988526949 /nfs/dbraw/zinc/52/69/49/988526949.db2.gz CTXCHEOXWAGKLE-RYUDHWBXSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CCCOC3)C[NH2+]1 ZINC001246856304 988581197 /nfs/dbraw/zinc/58/11/97/988581197.db2.gz WTPITQMZPIUOMU-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CCCOC3)C[NH2+]1 ZINC001246856304 988581201 /nfs/dbraw/zinc/58/12/01/988581201.db2.gz WTPITQMZPIUOMU-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H](CC1CC1)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858864 988591967 /nfs/dbraw/zinc/59/19/67/988591967.db2.gz IWGIPQLVOBDQAD-KYTZWMPUSA-N 2 1 224.348 1.081 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CC3(C2)C[C@@H](F)CS3)CC[NH2+]1 ZINC001246863779 988614001 /nfs/dbraw/zinc/61/40/01/988614001.db2.gz ZBAPQYJQYKVXFB-MXWKQRLJSA-N 2 1 244.379 1.656 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@H]1CCc3cc(F)ccc3C1)C2 ZINC001246868731 988624700 /nfs/dbraw/zinc/62/47/00/988624700.db2.gz KXSZGXZYOCUPQW-QEJZJMRPSA-N 2 1 246.329 1.716 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@H]1CCc3cc(F)ccc3C1)C2 ZINC001246868731 988624707 /nfs/dbraw/zinc/62/47/07/988624707.db2.gz KXSZGXZYOCUPQW-QEJZJMRPSA-N 2 1 246.329 1.716 20 0 BDADMP [NH3+][C@]12C[C@H]1CN([C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001246867909 988626012 /nfs/dbraw/zinc/62/60/12/988626012.db2.gz IPRVTRSEILOHHP-QEJZJMRPSA-N 2 1 249.402 1.426 20 0 BDADMP CC(C)OC1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246868685 988629711 /nfs/dbraw/zinc/62/97/11/988629711.db2.gz KGXLNDGLEULLCE-ABXWRUBCSA-N 2 1 238.375 1.756 20 0 BDADMP CC(C)OC1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246868685 988629725 /nfs/dbraw/zinc/62/97/25/988629725.db2.gz KGXLNDGLEULLCE-ABXWRUBCSA-N 2 1 238.375 1.756 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246875352 988640885 /nfs/dbraw/zinc/64/08/85/988640885.db2.gz KLUZLRDMMBAJES-UKIXVXPJSA-N 2 1 238.375 1.769 20 0 BDADMP F[C@H]1COC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246881517 988649162 /nfs/dbraw/zinc/64/91/62/988649162.db2.gz UOYIIONDMMPOTB-LLVKDONJSA-N 2 1 242.338 1.331 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246882444 988650623 /nfs/dbraw/zinc/65/06/23/988650623.db2.gz QPNHYKJBXIKDKN-AKJUYKBHSA-N 2 1 237.391 1.343 20 0 BDADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CCCC[NH3+])CC[NH2+]1 ZINC001246890657 988659569 /nfs/dbraw/zinc/65/95/69/988659569.db2.gz KOJBIFPXMJDURB-ZIAGYGMSSA-N 3 1 241.423 1.968 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246896226 988668898 /nfs/dbraw/zinc/66/88/98/988668898.db2.gz VWTYNNFRRCFKBC-WCQGTBRESA-N 2 1 210.321 1.038 20 0 BDADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246915824 988707485 /nfs/dbraw/zinc/70/74/85/988707485.db2.gz FXLSFLHOEGCAPR-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246915824 988707491 /nfs/dbraw/zinc/70/74/91/988707491.db2.gz FXLSFLHOEGCAPR-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP CC1(C)CC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC(C)(C)O1 ZINC001246923880 988738548 /nfs/dbraw/zinc/73/85/48/988738548.db2.gz ZZUONDVSORYTDD-PWSUYJOCSA-N 2 1 238.375 1.626 20 0 BDADMP CC1(C)CC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC(C)(C)O1 ZINC001246923880 988738569 /nfs/dbraw/zinc/73/85/69/988738569.db2.gz ZZUONDVSORYTDD-PWSUYJOCSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC001246923700 988741091 /nfs/dbraw/zinc/74/10/91/988741091.db2.gz YWJLTHPTNRDZIU-OBPIAQAESA-N 2 1 208.349 1.715 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC001246923703 988743393 /nfs/dbraw/zinc/74/33/93/988743393.db2.gz YWJLTHPTNRDZIU-RXGFPQBGSA-N 2 1 208.349 1.715 20 0 BDADMP C1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246931005 988757434 /nfs/dbraw/zinc/75/74/34/988757434.db2.gz LYPBNSRBKAWHCX-TXEJJXNPSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@H](N)C[N@@H+](C)C1CCC2(C[NH2+]C2)CC1 ZINC001246973975 988803957 /nfs/dbraw/zinc/80/39/57/988803957.db2.gz MBHYWTKCXBSXPR-NSHDSACASA-N 2 1 225.380 1.188 20 0 BDADMP CC[C@H]([NH3+])CN(C)C1CCC2(C[NH2+]C2)CC1 ZINC001246973975 988803959 /nfs/dbraw/zinc/80/39/59/988803959.db2.gz MBHYWTKCXBSXPR-NSHDSACASA-N 2 1 225.380 1.188 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1cccnc1 ZINC001246975386 988804957 /nfs/dbraw/zinc/80/49/57/988804957.db2.gz UCFRQBKKLHUEQN-AAEUAGOBSA-N 2 1 221.348 1.682 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1cccnc1 ZINC001246975386 988804960 /nfs/dbraw/zinc/80/49/60/988804960.db2.gz UCFRQBKKLHUEQN-AAEUAGOBSA-N 2 1 221.348 1.682 20 0 BDADMP C[C@H](N)C[N@@H+](C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246980383 988812273 /nfs/dbraw/zinc/81/22/73/988812273.db2.gz HZVVTRYCKOYADC-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246980383 988812279 /nfs/dbraw/zinc/81/22/79/988812279.db2.gz HZVVTRYCKOYADC-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](N)C[N@@H+](C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246981867 988812551 /nfs/dbraw/zinc/81/25/51/988812551.db2.gz SLGXQYXLXASCPL-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246981867 988812555 /nfs/dbraw/zinc/81/25/55/988812555.db2.gz SLGXQYXLXASCPL-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C[C@H](C)N ZINC001246982457 988813953 /nfs/dbraw/zinc/81/39/53/988813953.db2.gz VMQPIFSUDSJREX-QWHCGFSZSA-N 2 1 229.412 1.776 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)N(C)C[C@H](C)[NH3+] ZINC001246982457 988813959 /nfs/dbraw/zinc/81/39/59/988813959.db2.gz VMQPIFSUDSJREX-QWHCGFSZSA-N 2 1 229.412 1.776 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C[NH2+]1 ZINC001246987533 988820201 /nfs/dbraw/zinc/82/02/01/988820201.db2.gz HTUGCINDAXQUCR-AAVRWANBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C[NH2+]1 ZINC001246987533 988820207 /nfs/dbraw/zinc/82/02/07/988820207.db2.gz HTUGCINDAXQUCR-AAVRWANBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H]2CF)CC[NH2+]1 ZINC001246990066 988822614 /nfs/dbraw/zinc/82/26/14/988822614.db2.gz UQMYQJHLUZKUFH-GARJFASQSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2CF)CC[NH2+]1 ZINC001246990066 988822619 /nfs/dbraw/zinc/82/26/19/988822619.db2.gz UQMYQJHLUZKUFH-GARJFASQSA-N 2 1 200.301 1.561 20 0 BDADMP CC1(C)CCC[C@H]([N@@H+]2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001246992985 988826227 /nfs/dbraw/zinc/82/62/27/988826227.db2.gz YCONMVLGEDVFSJ-RYUDHWBXSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001246992985 988826232 /nfs/dbraw/zinc/82/62/32/988826232.db2.gz YCONMVLGEDVFSJ-RYUDHWBXSA-N 2 1 238.375 1.615 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[NH2+][C@H](C)C2)C(C)(C)C1 ZINC001246994571 988827367 /nfs/dbraw/zinc/82/73/67/988827367.db2.gz PVWKATVHCKEKMK-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC001246995256 988827985 /nfs/dbraw/zinc/82/79/85/988827985.db2.gz SNSVGWPSNXLGAU-GFCCVEGCSA-N 2 1 225.380 1.155 20 0 BDADMP CC(C)O[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246995215 988829318 /nfs/dbraw/zinc/82/93/18/988829318.db2.gz RXAVVATYAOYZHH-RWMBFGLXSA-N 2 1 226.364 1.626 20 0 BDADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001247001763 988831857 /nfs/dbraw/zinc/83/18/57/988831857.db2.gz LACDUOHBPXEZPO-BHOIJHMLSA-N 3 1 249.402 1.471 20 0 BDADMP Cc1ccnc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247506824 988906078 /nfs/dbraw/zinc/90/60/78/988906078.db2.gz HFCFAAGAAFBOGM-SECBINFHSA-N 2 1 247.302 1.179 20 0 BDADMP Cc1cccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)n1 ZINC001247507509 988906417 /nfs/dbraw/zinc/90/64/17/988906417.db2.gz LCDONVSZDNNZEC-VIFPVBQESA-N 2 1 247.302 1.179 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCC3CC3)CC[C@@H]21 ZINC001119317384 988933065 /nfs/dbraw/zinc/93/30/65/988933065.db2.gz LYQKQENWBJVRSS-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCOCC3CC3)CC[C@@H]21 ZINC001119317384 988933079 /nfs/dbraw/zinc/93/30/79/988933079.db2.gz LYQKQENWBJVRSS-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCOCC3CC3)CC[C@@H]21 ZINC001119317384 988933096 /nfs/dbraw/zinc/93/30/96/988933096.db2.gz LYQKQENWBJVRSS-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCC3CC3)CC[C@@H]21 ZINC001119317384 988933115 /nfs/dbraw/zinc/93/31/15/988933115.db2.gz LYQKQENWBJVRSS-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+](CCNc1nccnc1C[NH3+])C1CCCC1 ZINC001515445630 989049685 /nfs/dbraw/zinc/04/96/85/989049685.db2.gz VIVWOUYAWFURAH-UHFFFAOYSA-N 2 1 249.362 1.222 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(=O)[nH]n1 ZINC001325887680 989299151 /nfs/dbraw/zinc/29/91/51/989299151.db2.gz IOJIYAFHHDOWJN-SNVBAGLBSA-N 2 1 248.330 1.095 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC001119688506 989334574 /nfs/dbraw/zinc/33/45/74/989334574.db2.gz HLSMUQIBWOPCFZ-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001119852922 989445673 /nfs/dbraw/zinc/44/56/73/989445673.db2.gz YSHZNXNWPYSSCS-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H]([NH3+])c1nc([C@H](N)c2ccccc2)no1 ZINC001326485648 989576158 /nfs/dbraw/zinc/57/61/58/989576158.db2.gz GRRQYXFEDREJDT-NXEZZACHSA-N 2 1 232.287 1.528 20 0 BDADMP CC(C)(C[NH3+])c1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001326487606 989582927 /nfs/dbraw/zinc/58/29/27/989582927.db2.gz UUQFWELNBWIHMI-SNVBAGLBSA-N 2 1 246.314 1.354 20 0 BDADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC001326688032 989652736 /nfs/dbraw/zinc/65/27/36/989652736.db2.gz MZZSKYQQHYKABO-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP C[NH+](C)C1(CNc2cc[nH+]c(N)n2)CCCCC1 ZINC001120793035 989885161 /nfs/dbraw/zinc/88/51/61/989885161.db2.gz JLDMTPDZMLMLET-UHFFFAOYSA-N 2 1 249.362 1.735 20 0 BDADMP C[NH+](C)[C@H](CNc1cc[nH+]c(N)n1)c1ccco1 ZINC001120876227 989938905 /nfs/dbraw/zinc/93/89/05/989938905.db2.gz RVNSRRRQAPKJPV-SECBINFHSA-N 2 1 247.302 1.367 20 0 BDADMP C[NH+](C)C1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001122024748 990196090 /nfs/dbraw/zinc/19/60/90/990196090.db2.gz YZGQRIABQTXIPM-UHFFFAOYSA-N 2 1 245.326 1.323 20 0 BDADMP C[NH+]1CC2(C1)CC[NH+](Cc1ncccc1O)CC2 ZINC001138395694 990935601 /nfs/dbraw/zinc/93/56/01/990935601.db2.gz JOXKMGFIHOLBQI-UHFFFAOYSA-N 2 1 247.342 1.315 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001258105960 991017162 /nfs/dbraw/zinc/01/71/62/991017162.db2.gz VFOBLPUGDMYOLU-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258113460 991021999 /nfs/dbraw/zinc/02/19/99/991021999.db2.gz WCUIQJNZOGPIHO-RYUDHWBXSA-N 2 1 244.379 1.635 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001308553892 991033807 /nfs/dbraw/zinc/03/38/07/991033807.db2.gz NFQCTMJCBBBDIA-FRRDWIJNSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001308553892 991033813 /nfs/dbraw/zinc/03/38/13/991033813.db2.gz NFQCTMJCBBBDIA-FRRDWIJNSA-N 2 1 248.374 1.158 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCCO)CC1 ZINC001308715608 991109174 /nfs/dbraw/zinc/10/91/74/991109174.db2.gz ZREZOQPAGDVDFD-UHFFFAOYSA-N 2 1 214.353 1.033 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC001308803357 991140733 /nfs/dbraw/zinc/14/07/33/991140733.db2.gz WEJRBJFMDGLDKB-KBPBESRZSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC001308803357 991140740 /nfs/dbraw/zinc/14/07/40/991140740.db2.gz WEJRBJFMDGLDKB-KBPBESRZSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC001308803357 991140745 /nfs/dbraw/zinc/14/07/45/991140745.db2.gz WEJRBJFMDGLDKB-KBPBESRZSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308983622 991250831 /nfs/dbraw/zinc/25/08/31/991250831.db2.gz GHEIQXQJHIXDCO-XJFOESAGSA-N 2 1 240.391 1.730 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC(C)(C[NH3+])C2)c1C ZINC001206736839 991281461 /nfs/dbraw/zinc/28/14/61/991281461.db2.gz IGGWNAGGCSRVBI-UHFFFAOYSA-N 2 1 249.358 1.488 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)[C@@H]2CCOC2)CC1 ZINC001258775319 991736981 /nfs/dbraw/zinc/73/69/81/991736981.db2.gz KCNCLJCZKJWHPX-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC001258775403 991739600 /nfs/dbraw/zinc/73/96/00/991739600.db2.gz NPXLECKOQLGCBO-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC001258775403 991739611 /nfs/dbraw/zinc/73/96/11/991739611.db2.gz NPXLECKOQLGCBO-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](COC)C2)CC1 ZINC001258772722 991739728 /nfs/dbraw/zinc/73/97/28/991739728.db2.gz XTQATMCKYLURFV-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC001258772552 991741958 /nfs/dbraw/zinc/74/19/58/991741958.db2.gz SPQACOFPGACSSK-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC(N(C)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001258775196 991742001 /nfs/dbraw/zinc/74/20/01/991742001.db2.gz DUGINDOSHPGXJY-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](OCC)C2)CC1 ZINC001258777552 991745650 /nfs/dbraw/zinc/74/56/50/991745650.db2.gz XWSFXJWOMIUYAN-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=O)CCC[NH+](C)C ZINC001566486938 991857273 /nfs/dbraw/zinc/85/72/73/991857273.db2.gz MULSGOJRLHJAQA-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001258906983 991894662 /nfs/dbraw/zinc/89/46/62/991894662.db2.gz CKFBERQHXUPHQG-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@](N)(CC)CO ZINC001258902288 991896061 /nfs/dbraw/zinc/89/60/61/991896061.db2.gz RWRCYUHNPJVTSW-CHWSQXEVSA-N 2 1 245.411 1.144 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001258898753 991896879 /nfs/dbraw/zinc/89/68/79/991896879.db2.gz RLNKQXZWDXPJOU-LBPRGKRZSA-N 3 1 229.412 1.824 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC001261566400 992386626 /nfs/dbraw/zinc/38/66/26/992386626.db2.gz FSZQXTALRBVCLZ-NSHDSACASA-N 2 1 238.379 1.337 20 0 BDADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)C(C)C ZINC001570746562 992517205 /nfs/dbraw/zinc/51/72/05/992517205.db2.gz XQBUNMPSRYRRQS-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)C(C)C ZINC001570746562 992517215 /nfs/dbraw/zinc/51/72/15/992517215.db2.gz XQBUNMPSRYRRQS-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)C(C)C ZINC001570746562 992517222 /nfs/dbraw/zinc/51/72/22/992517222.db2.gz XQBUNMPSRYRRQS-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)CC1(OC)CCC1 ZINC001262010450 992595625 /nfs/dbraw/zinc/59/56/25/992595625.db2.gz FQUHZUKKSVPHKO-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP C1=C(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CCC1 ZINC001574774042 992901762 /nfs/dbraw/zinc/90/17/62/992901762.db2.gz IRMWBWSUZPYGSN-OLZOCXBDSA-N 2 1 206.333 1.638 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001574801502 992914960 /nfs/dbraw/zinc/91/49/60/992914960.db2.gz QMYANWCGVQZENL-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC001574816468 992919144 /nfs/dbraw/zinc/91/91/44/992919144.db2.gz FRDMQEYHBJSOBN-WRWGMCAJSA-N 2 1 206.333 1.659 20 0 BDADMP CC(C)(CCCO)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001575301661 993008351 /nfs/dbraw/zinc/00/83/51/993008351.db2.gz FGMJCFLKHHXHLY-VIFPVBQESA-N 2 1 238.322 1.357 20 0 BDADMP CC1(C)C[N@H+](CCNc2cc[nH+]cc2)CCO1 ZINC001262671577 993013637 /nfs/dbraw/zinc/01/36/37/993013637.db2.gz KNPMWBLXYKGXCU-UHFFFAOYSA-N 2 1 235.331 1.026 20 0 BDADMP CC1(C)C[N@@H+](CCNc2cc[nH+]cc2)CCO1 ZINC001262671577 993013643 /nfs/dbraw/zinc/01/36/43/993013643.db2.gz KNPMWBLXYKGXCU-UHFFFAOYSA-N 2 1 235.331 1.026 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cccc2nccn21 ZINC001575358593 993023710 /nfs/dbraw/zinc/02/37/10/993023710.db2.gz ZJVSZYYLUYRRHU-UHFFFAOYSA-N 2 1 218.304 1.161 20 0 BDADMP CC(C)(O)C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001575380344 993031297 /nfs/dbraw/zinc/03/12/97/993031297.db2.gz UMXSVAFXPNUIHP-WDEREUQCSA-N 2 1 226.364 1.349 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001575472975 993050156 /nfs/dbraw/zinc/05/01/56/993050156.db2.gz ROGJPFGAHPOYFH-JHJVBQTASA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]C(C)(C)C[NH3+] ZINC001575941050 993132683 /nfs/dbraw/zinc/13/26/83/993132683.db2.gz HXOGJCCWJHKTDM-UWVGGRQHSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC001575961252 993141169 /nfs/dbraw/zinc/14/11/69/993141169.db2.gz CRHFXJDIEHNSOD-UTLUCORTSA-N 2 1 208.309 1.216 20 0 BDADMP C[C@@H](CO)[N@H+](CC1CCC1)C[C@H]1CCC[NH2+]1 ZINC001576037504 993162940 /nfs/dbraw/zinc/16/29/40/993162940.db2.gz QSOAAWICOZVXKE-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CO)[N@@H+](CC1CCC1)C[C@H]1CCC[NH2+]1 ZINC001576037504 993162943 /nfs/dbraw/zinc/16/29/43/993162943.db2.gz QSOAAWICOZVXKE-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001576066144 993171196 /nfs/dbraw/zinc/17/11/96/993171196.db2.gz KXDMPGMLIJTMIX-DMDPSCGWSA-N 2 1 234.347 1.138 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001576263137 993241907 /nfs/dbraw/zinc/24/19/07/993241907.db2.gz FVNOENRFSIUPOI-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](O)[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576269016 993242963 /nfs/dbraw/zinc/24/29/63/993242963.db2.gz KHYDPDTTXQDPDV-YVECIDJPSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@@H](C[NH2+]C[C@H]([NH3+])CC(F)(F)F)C[C@H](C)O ZINC001576272199 993250378 /nfs/dbraw/zinc/25/03/78/993250378.db2.gz JTWLDPXXIJJKHW-HRDYMLBCSA-N 2 1 242.285 1.263 20 0 BDADMP C[C@H](O)C[N@H+](CC(F)F)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576273470 993254093 /nfs/dbraw/zinc/25/40/93/993254093.db2.gz WEHBYNLQYXXWRU-LPEHRKFASA-N 2 1 236.306 1.062 20 0 BDADMP C[C@H](O)C[N@@H+](CC(F)F)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576273470 993254099 /nfs/dbraw/zinc/25/40/99/993254099.db2.gz WEHBYNLQYXXWRU-LPEHRKFASA-N 2 1 236.306 1.062 20 0 BDADMP CC1(C)OC[C@H](C[N@@H+]2CCCCC[C@@H]([NH3+])C2)O1 ZINC001576494507 993321057 /nfs/dbraw/zinc/32/10/57/993321057.db2.gz BYHOLOOMFNLEFJ-NEPJUHHUSA-N 2 1 242.363 1.341 20 0 BDADMP CC1(C)OC[C@H](C[N@H+]2CCCCC[C@@H]([NH3+])C2)O1 ZINC001576494507 993321060 /nfs/dbraw/zinc/32/10/60/993321060.db2.gz BYHOLOOMFNLEFJ-NEPJUHHUSA-N 2 1 242.363 1.341 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)C[NH2+]CCO1 ZINC001576519434 993331539 /nfs/dbraw/zinc/33/15/39/993331539.db2.gz OZBBPCAVLMGWMX-JHJVBQTASA-N 2 1 224.348 1.143 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)Nc1cc(N)[nH+]cn1 ZINC000380773980 993343592 /nfs/dbraw/zinc/34/35/92/993343592.db2.gz ZODYZQCZUDQHIL-VIFPVBQESA-N 2 1 223.324 1.199 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)Nc1cc(N)[nH+]cn1 ZINC000380773980 993343600 /nfs/dbraw/zinc/34/36/00/993343600.db2.gz ZODYZQCZUDQHIL-VIFPVBQESA-N 2 1 223.324 1.199 20 0 BDADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000381306657 993385277 /nfs/dbraw/zinc/38/52/77/993385277.db2.gz KNPFACONALWIPV-PWSUYJOCSA-N 2 1 217.316 1.541 20 0 BDADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000381306660 993385743 /nfs/dbraw/zinc/38/57/43/993385743.db2.gz KNPFACONALWIPV-ZYHUDNBSSA-N 2 1 217.316 1.541 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)C[NH2+]CCO2)CS1 ZINC001576669860 993389098 /nfs/dbraw/zinc/38/90/98/993389098.db2.gz AZXZIEYANGXJND-IJLUTSLNSA-N 2 1 244.404 1.239 20 0 BDADMP C[C@H]1CCC[N@H+](CC2=NOCC2)[C@H]1CC[NH3+] ZINC001576704063 993400107 /nfs/dbraw/zinc/40/01/07/993400107.db2.gz LDBGYUILYKTFQS-JQWIXIFHSA-N 2 1 225.336 1.212 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2=NOCC2)[C@H]1CC[NH3+] ZINC001576704063 993400111 /nfs/dbraw/zinc/40/01/11/993400111.db2.gz LDBGYUILYKTFQS-JQWIXIFHSA-N 2 1 225.336 1.212 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001576748668 993411953 /nfs/dbraw/zinc/41/19/53/993411953.db2.gz KTDPFPDNEMRXFX-DYEKYZERSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@]1(C)CO ZINC001576800575 993428962 /nfs/dbraw/zinc/42/89/62/993428962.db2.gz KHOQLFUDCWQQGV-MCIONIFRSA-N 2 1 240.391 1.326 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@@H](C)CN1C ZINC001576806114 993429399 /nfs/dbraw/zinc/42/93/99/993429399.db2.gz BOOMMDSWPMSUFG-MROQNXINSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@H](C)CN1C ZINC001576806113 993429736 /nfs/dbraw/zinc/42/97/36/993429736.db2.gz BOOMMDSWPMSUFG-FVCCEPFGSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576904246 993449962 /nfs/dbraw/zinc/44/99/62/993449962.db2.gz SSUTZNQPOVTHAN-ZSVAQUKISA-N 2 1 224.348 1.367 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001576965390 993472744 /nfs/dbraw/zinc/47/27/44/993472744.db2.gz AEVGZSVOERIJIZ-DMDPSCGWSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001576965390 993472747 /nfs/dbraw/zinc/47/27/47/993472747.db2.gz AEVGZSVOERIJIZ-DMDPSCGWSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC001576966425 993473800 /nfs/dbraw/zinc/47/38/00/993473800.db2.gz IGWARFMTKWBBHM-FIQHERPVSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC001576966425 993473805 /nfs/dbraw/zinc/47/38/05/993473805.db2.gz IGWARFMTKWBBHM-FIQHERPVSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001576996408 993482563 /nfs/dbraw/zinc/48/25/63/993482563.db2.gz FEQMPEZWRXHICO-SRVKXCTJSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001576996408 993482566 /nfs/dbraw/zinc/48/25/66/993482566.db2.gz FEQMPEZWRXHICO-SRVKXCTJSA-N 2 1 212.337 1.238 20 0 BDADMP CCC(CC)[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001577078072 993495265 /nfs/dbraw/zinc/49/52/65/993495265.db2.gz PQZMNLNBLQSXCX-LLVKDONJSA-N 2 1 200.326 1.143 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743771 993510866 /nfs/dbraw/zinc/51/08/66/993510866.db2.gz ISJIXHPBOTYFPK-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743771 993510876 /nfs/dbraw/zinc/51/08/76/993510876.db2.gz ISJIXHPBOTYFPK-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743771 993510882 /nfs/dbraw/zinc/51/08/82/993510882.db2.gz ISJIXHPBOTYFPK-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CCC[C@H](N2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743771 993510892 /nfs/dbraw/zinc/51/08/92/993510892.db2.gz ISJIXHPBOTYFPK-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743771 993510900 /nfs/dbraw/zinc/51/09/00/993510900.db2.gz ISJIXHPBOTYFPK-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2nonc2c1 ZINC001577124592 993511798 /nfs/dbraw/zinc/51/17/98/993511798.db2.gz JQYALMGMKIUMKD-SECBINFHSA-N 2 1 220.276 1.050 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577220915 993549222 /nfs/dbraw/zinc/54/92/22/993549222.db2.gz PFICNYVZDNGIDM-XQQFMLRXSA-N 2 1 226.364 1.351 20 0 BDADMP CC[C@]1(O)CCC[N@@H+](CC2(C[NH3+])CCC2)C1 ZINC001577233233 993549583 /nfs/dbraw/zinc/54/95/83/993549583.db2.gz GKYFVWOWHPOQKN-ZDUSSCGKSA-N 2 1 226.364 1.352 20 0 BDADMP Cc1nccn1CC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000384148967 993551482 /nfs/dbraw/zinc/55/14/82/993551482.db2.gz PJJXIMZAZKEMAU-CYBMUJFWSA-N 2 1 236.363 1.265 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000384148967 993551489 /nfs/dbraw/zinc/55/14/89/993551489.db2.gz PJJXIMZAZKEMAU-CYBMUJFWSA-N 3 1 236.363 1.265 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000384148967 993551501 /nfs/dbraw/zinc/55/15/01/993551501.db2.gz PJJXIMZAZKEMAU-CYBMUJFWSA-N 3 1 236.363 1.265 20 0 BDADMP CC[C@H]1C[C@H](C[NH2+]CC[NH2+]C2CC2)CCO1 ZINC001577240730 993555102 /nfs/dbraw/zinc/55/51/02/993555102.db2.gz LQGRXGWRSFKJRG-YPMHNXCESA-N 2 1 226.364 1.533 20 0 BDADMP CC[NH+](CC)C1CC[NH+](C[C@@H](C)O)CC1 ZINC000384221193 993557875 /nfs/dbraw/zinc/55/78/75/993557875.db2.gz DHBJBQCZZWBXNV-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@]2(O)CCC[NH2+]C2)[C@@H]1C ZINC001577262172 993564716 /nfs/dbraw/zinc/56/47/16/993564716.db2.gz FNAVJCSMITZNKL-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC001577263956 993571348 /nfs/dbraw/zinc/57/13/48/993571348.db2.gz WBLVDIFUNPIVRQ-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CCC[C@H](CCO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577358452 993588083 /nfs/dbraw/zinc/58/80/83/993588083.db2.gz ZQINEBHHCYAKKT-RKDXNWHRSA-N 2 1 242.285 1.407 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001577328613 993599507 /nfs/dbraw/zinc/59/95/07/993599507.db2.gz UGEBTIWZEXQEMH-WCQYABFASA-N 2 1 241.379 1.057 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001577335785 993600078 /nfs/dbraw/zinc/60/00/78/993600078.db2.gz BQMPXZRKZOEZEC-TUAOUCFPSA-N 2 1 214.353 1.125 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001577400579 993639770 /nfs/dbraw/zinc/63/97/70/993639770.db2.gz ALPBREDMDNLHJO-UTUOFQBUSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001577400579 993639781 /nfs/dbraw/zinc/63/97/81/993639781.db2.gz ALPBREDMDNLHJO-UTUOFQBUSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC001577410526 993650778 /nfs/dbraw/zinc/65/07/78/993650778.db2.gz MELMBJAKKOUUAT-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC001577410523 993651634 /nfs/dbraw/zinc/65/16/34/993651634.db2.gz MELMBJAKKOUUAT-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NCC(C)(C)[NH3+] ZINC001577510443 993667395 /nfs/dbraw/zinc/66/73/95/993667395.db2.gz OFKBXQUTEVZFCZ-NSHDSACASA-N 2 1 215.385 1.434 20 0 BDADMP CCCC[N@@H+](CCOC)CC(C)(C)C[NH3+] ZINC001577458128 993667679 /nfs/dbraw/zinc/66/76/79/993667679.db2.gz VPCHIUBJNMJIPO-UHFFFAOYSA-N 2 1 216.369 1.720 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CC1([NH3+])CC1 ZINC001577510518 993676163 /nfs/dbraw/zinc/67/61/63/993676163.db2.gz QQLCEIDQIDBXDS-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577510237 993677578 /nfs/dbraw/zinc/67/75/78/993677578.db2.gz GJNUGZMVMLJSJH-UPJWGTAASA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577510237 993677580 /nfs/dbraw/zinc/67/75/80/993677580.db2.gz GJNUGZMVMLJSJH-UPJWGTAASA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577535507 993679175 /nfs/dbraw/zinc/67/91/75/993679175.db2.gz CZHQWHGCEXCFAG-QPPOZKHWSA-N 3 1 237.391 1.330 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577535507 993679181 /nfs/dbraw/zinc/67/91/81/993679181.db2.gz CZHQWHGCEXCFAG-QPPOZKHWSA-N 3 1 237.391 1.330 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](C)O ZINC000386751858 993694899 /nfs/dbraw/zinc/69/48/99/993694899.db2.gz GSNFNXGFECUSOZ-LPWJVIDDSA-N 2 1 226.364 1.362 20 0 BDADMP CCCn1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001577625047 993701752 /nfs/dbraw/zinc/70/17/52/993701752.db2.gz XPBKARNGYNEYQZ-NEPJUHHUSA-N 2 1 236.363 1.238 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(CC2(C[NH3+])CCC2)C1 ZINC001577654894 993704572 /nfs/dbraw/zinc/70/45/72/993704572.db2.gz KTNSVBBCZHLNJU-GFCCVEGCSA-N 2 1 225.380 1.141 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC001577654369 993706965 /nfs/dbraw/zinc/70/69/65/993706965.db2.gz BURBCMQXETWICV-CHWSQXEVSA-N 2 1 227.396 1.243 20 0 BDADMP CCN(C)[C@@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001577654369 993706973 /nfs/dbraw/zinc/70/69/73/993706973.db2.gz BURBCMQXETWICV-CHWSQXEVSA-N 2 1 227.396 1.243 20 0 BDADMP CCN(C)[C@@H]1CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001577654369 993706982 /nfs/dbraw/zinc/70/69/82/993706982.db2.gz BURBCMQXETWICV-CHWSQXEVSA-N 2 1 227.396 1.243 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654844 993710235 /nfs/dbraw/zinc/71/02/35/993710235.db2.gz JASVSIBHLFAREE-MELADBBJSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654844 993710243 /nfs/dbraw/zinc/71/02/43/993710243.db2.gz JASVSIBHLFAREE-MELADBBJSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654844 993710252 /nfs/dbraw/zinc/71/02/52/993710252.db2.gz JASVSIBHLFAREE-MELADBBJSA-N 3 1 239.407 1.387 20 0 BDADMP CCSCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000389292117 993744315 /nfs/dbraw/zinc/74/43/15/993744315.db2.gz CUDLMRRCMCHCDB-LLVKDONJSA-N 2 1 216.394 1.813 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCc2cnccn2)CC1 ZINC000390076667 993776392 /nfs/dbraw/zinc/77/63/92/993776392.db2.gz XEZKEHVBXFPHTB-LBPRGKRZSA-N 2 1 234.347 1.093 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2CO)CC1 ZINC000390537933 993795186 /nfs/dbraw/zinc/79/51/86/993795186.db2.gz PSJKNINNKGVRRP-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP COc1cncc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000700050429 993818919 /nfs/dbraw/zinc/81/89/19/993818919.db2.gz DVINQIWGEOWYTE-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP COc1cncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000700050429 993818924 /nfs/dbraw/zinc/81/89/24/993818924.db2.gz DVINQIWGEOWYTE-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700785187 993852722 /nfs/dbraw/zinc/85/27/22/993852722.db2.gz CNPYVRJUUMGGJZ-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392644116 993874133 /nfs/dbraw/zinc/87/41/33/993874133.db2.gz QOGRRNWLZIGERM-GFCCVEGCSA-N 2 1 235.331 1.361 20 0 BDADMP Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC000393169716 993910906 /nfs/dbraw/zinc/91/09/06/993910906.db2.gz AHUPKQACKNLGTL-GFCCVEGCSA-N 2 1 219.332 1.703 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000702057712 993956896 /nfs/dbraw/zinc/95/68/96/993956896.db2.gz FWNSZZWMHLWQEO-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000702057712 993956908 /nfs/dbraw/zinc/95/69/08/993956908.db2.gz FWNSZZWMHLWQEO-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1nccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC000393885650 994017347 /nfs/dbraw/zinc/01/73/47/994017347.db2.gz RSXNTSGVPPABMK-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP Cc1nccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC000393885650 994017357 /nfs/dbraw/zinc/01/73/57/994017357.db2.gz RSXNTSGVPPABMK-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP CCC1(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)COC1 ZINC000393965334 994023667 /nfs/dbraw/zinc/02/36/67/994023667.db2.gz NKSKRNDREQHWDD-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H](O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC001307609228 995416128 /nfs/dbraw/zinc/41/61/28/995416128.db2.gz MRFFDGKJKIDSMV-VXGBXAGGSA-N 2 1 226.364 1.316 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000336728187 398136443 /nfs/dbraw/zinc/13/64/43/398136443.db2.gz WONMKRKVVYBXHX-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000336728187 398136444 /nfs/dbraw/zinc/13/64/44/398136444.db2.gz WONMKRKVVYBXHX-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cn[nH]c1 ZINC000340524375 398137003 /nfs/dbraw/zinc/13/70/03/398137003.db2.gz IYHAAAYDMPJFTH-GBIKHYSHSA-N 2 1 234.347 1.543 20 0 BDADMP COCCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000062032009 398139112 /nfs/dbraw/zinc/13/91/12/398139112.db2.gz GYQNAQVGDCKNKO-UHFFFAOYSA-N 2 1 214.353 1.344 20 0 BDADMP CCC(CC)(CC)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358281387 168315532 /nfs/dbraw/zinc/31/55/32/168315532.db2.gz BBWKRNWFGXFEEX-AWEZNQCLSA-N 2 1 242.407 1.859 20 0 BDADMP CCC(CC)(CC)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358281387 168315534 /nfs/dbraw/zinc/31/55/34/168315534.db2.gz BBWKRNWFGXFEEX-AWEZNQCLSA-N 2 1 242.407 1.859 20 0 BDADMP C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000336699989 187321559 /nfs/dbraw/zinc/32/15/59/187321559.db2.gz JZWDFBGAOIMWCU-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H]1CCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336699989 187321561 /nfs/dbraw/zinc/32/15/61/187321561.db2.gz JZWDFBGAOIMWCU-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H]1CCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336699989 187321563 /nfs/dbraw/zinc/32/15/63/187321563.db2.gz JZWDFBGAOIMWCU-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000336699990 187321683 /nfs/dbraw/zinc/32/16/83/187321683.db2.gz JZWDFBGAOIMWCU-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336699990 187321685 /nfs/dbraw/zinc/32/16/85/187321685.db2.gz JZWDFBGAOIMWCU-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336699990 187321687 /nfs/dbraw/zinc/32/16/87/187321687.db2.gz JZWDFBGAOIMWCU-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336722207 187321943 /nfs/dbraw/zinc/32/19/43/187321943.db2.gz ZTTVDCFPLLNWOU-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC000389917345 398149389 /nfs/dbraw/zinc/14/93/89/398149389.db2.gz DIENIAJKCYESSW-SNVBAGLBSA-N 2 1 236.306 1.076 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000228544106 178009089 /nfs/dbraw/zinc/00/90/89/178009089.db2.gz AIHQDCGVYRSLOW-CYZMBNFOSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cnn(C)c1 ZINC000044532714 398178589 /nfs/dbraw/zinc/17/85/89/398178589.db2.gz HXUBFJVZKLIKJE-RYUDHWBXSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000044532714 398178594 /nfs/dbraw/zinc/17/85/94/398178594.db2.gz HXUBFJVZKLIKJE-RYUDHWBXSA-N 2 1 236.363 1.413 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000422944067 398160418 /nfs/dbraw/zinc/16/04/18/398160418.db2.gz RKVXBKUNNZGNCA-QWHCGFSZSA-N 2 1 238.306 1.674 20 0 BDADMP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1C ZINC000396714361 398167113 /nfs/dbraw/zinc/16/71/13/398167113.db2.gz QPOQORHKYYHOGG-CYDGBPFRSA-N 2 1 225.380 1.199 20 0 BDADMP CCOC[C@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] ZINC000313297503 398190244 /nfs/dbraw/zinc/19/02/44/398190244.db2.gz QYKQCVXANHBEOS-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP CCOC[C@H]1CCCC[N@H+]1CC(C)(C)[NH3+] ZINC000313297503 398190247 /nfs/dbraw/zinc/19/02/47/398190247.db2.gz QYKQCVXANHBEOS-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334260147 398194770 /nfs/dbraw/zinc/19/47/70/398194770.db2.gz RKCLILJIDLWLMO-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334260147 398194772 /nfs/dbraw/zinc/19/47/72/398194772.db2.gz RKCLILJIDLWLMO-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430920062 192027593 /nfs/dbraw/zinc/02/75/93/192027593.db2.gz NJGRDNBBAZIJNZ-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000069724529 398214201 /nfs/dbraw/zinc/21/42/01/398214201.db2.gz FDYCDIQGHIIYFD-AVGNSLFASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346976 365573486 /nfs/dbraw/zinc/57/34/86/365573486.db2.gz VKJMUXGFLQAORI-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346977 365573574 /nfs/dbraw/zinc/57/35/74/365573574.db2.gz VKJMUXGFLQAORI-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000381009226 398218461 /nfs/dbraw/zinc/21/84/61/398218461.db2.gz ROPPZXNOPPVMRA-ZYHUDNBSSA-N 2 1 222.336 1.011 20 0 BDADMP Cc1cc(C)n(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)n1 ZINC000649419994 398218554 /nfs/dbraw/zinc/21/85/54/398218554.db2.gz LPGFGJKVGUZERI-LBPRGKRZSA-N 2 1 238.379 1.463 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000649413775 398211928 /nfs/dbraw/zinc/21/19/28/398211928.db2.gz CNNHBELQXNEWFO-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP Cc1cc(NCC[NH+]2CCN(C)CC2)cc[nH+]1 ZINC000162718125 178161299 /nfs/dbraw/zinc/16/12/99/178161299.db2.gz YXNYAZRYMSZRQG-UHFFFAOYSA-N 2 1 234.347 1.049 20 0 BDADMP Cc1cc(NC[C@H]2CCC[NH2+]2)nc(C)[nH+]1 ZINC000053255073 178170383 /nfs/dbraw/zinc/17/03/83/178170383.db2.gz ICFZQMWWQLUBFS-SNVBAGLBSA-N 2 1 206.293 1.257 20 0 BDADMP C(C[NH+]1CCCC1)C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366772404 136222716 /nfs/dbraw/zinc/22/27/16/136222716.db2.gz IWXDUIPBHNLEIR-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000430764838 398231255 /nfs/dbraw/zinc/23/12/55/398231255.db2.gz UDIVDUDBZVDEGY-UTUOFQBUSA-N 2 1 241.379 1.103 20 0 BDADMP Cc1cc(NCC[N@H+]2CC=CCC2)nc(C)[nH+]1 ZINC000280385641 538937097 /nfs/dbraw/zinc/93/70/97/538937097.db2.gz ZRLZSWMEDMYJOH-UHFFFAOYSA-N 2 1 232.331 1.767 20 0 BDADMP Cc1cc(NCC[N@@H+]2CC=CCC2)nc(C)[nH+]1 ZINC000280385641 538937099 /nfs/dbraw/zinc/93/70/99/538937099.db2.gz ZRLZSWMEDMYJOH-UHFFFAOYSA-N 2 1 232.331 1.767 20 0 BDADMP FCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336715502 398241251 /nfs/dbraw/zinc/24/12/51/398241251.db2.gz WTKFDZILJKVUIM-UHFFFAOYSA-N 2 1 214.328 1.953 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC12CCC2 ZINC000576531172 365617451 /nfs/dbraw/zinc/61/74/51/365617451.db2.gz ZSZOEWDGCYRBNU-GFCCVEGCSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167425723 538941962 /nfs/dbraw/zinc/94/19/62/538941962.db2.gz YFMPHPQYRMLXTO-PWSUYJOCSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@](C)(C[NH2+]C1CC[NH+](C)CC1)OC ZINC000323075912 259313514 /nfs/dbraw/zinc/31/35/14/259313514.db2.gz XSCZSBAWIWMTFB-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC(F)F ZINC000178317962 538953035 /nfs/dbraw/zinc/95/30/35/538953035.db2.gz GNDHRSWGBWMUSV-JTQLQIEISA-N 2 1 229.274 1.921 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCOC1 ZINC000178704537 538954068 /nfs/dbraw/zinc/95/40/68/538954068.db2.gz IROORZDLJYHPTL-YPMHNXCESA-N 2 1 237.347 1.596 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000270286423 187335057 /nfs/dbraw/zinc/33/50/57/187335057.db2.gz ZBTJUWSSBMEMTH-UHFFFAOYSA-N 2 1 247.346 1.413 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCOC1 ZINC000165715625 361844505 /nfs/dbraw/zinc/84/45/05/361844505.db2.gz NDQKJRJJEWNJAQ-LLVKDONJSA-N 2 1 200.326 1.095 20 0 BDADMP Cc1[nH]ncc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000038011318 538964752 /nfs/dbraw/zinc/96/47/52/538964752.db2.gz RFWLGIRCSNUTLM-SNVBAGLBSA-N 2 1 236.363 1.538 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1F ZINC000583928839 342727772 /nfs/dbraw/zinc/72/77/72/342727772.db2.gz SPXUWDHIULKAOT-CMPLNLGQSA-N 2 1 237.322 1.828 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000335610925 136236905 /nfs/dbraw/zinc/23/69/05/136236905.db2.gz HCAXYXNUHMOGFA-YPMHNXCESA-N 2 1 233.359 1.686 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccncc2F)CC1 ZINC000449253343 398285921 /nfs/dbraw/zinc/28/59/21/398285921.db2.gz SPSZCJDUQJSDQO-UHFFFAOYSA-N 2 1 235.306 1.572 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CC2)CC[N@@H+]1C ZINC000381787367 539007227 /nfs/dbraw/zinc/00/72/27/539007227.db2.gz ZEUKQFRVYAQVIR-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CC2)CC[N@H+]1C ZINC000381787367 539007229 /nfs/dbraw/zinc/00/72/29/539007229.db2.gz ZEUKQFRVYAQVIR-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1C[C@H]2CN(c3cc[nH+]cc3Cl)C[C@H]2C1 ZINC000192806552 538997661 /nfs/dbraw/zinc/99/76/61/538997661.db2.gz SYNUWWFJZYJUFN-AOOOYVTPSA-N 2 1 237.734 1.733 20 0 BDADMP C[N@@H+]1C[C@H]2CN(c3cc[nH+]cc3Cl)C[C@H]2C1 ZINC000192806552 538997662 /nfs/dbraw/zinc/99/76/62/538997662.db2.gz SYNUWWFJZYJUFN-AOOOYVTPSA-N 2 1 237.734 1.733 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000390616059 539026816 /nfs/dbraw/zinc/02/68/16/539026816.db2.gz GWWGQQJUPMKQHS-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000390616059 539026817 /nfs/dbraw/zinc/02/68/17/539026817.db2.gz GWWGQQJUPMKQHS-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000562280592 323014869 /nfs/dbraw/zinc/01/48/69/323014869.db2.gz DGPWQESEFRBNEA-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cccc2c1OCCO2 ZINC000382061286 398301595 /nfs/dbraw/zinc/30/15/95/398301595.db2.gz MRGDTMRMBCTDML-UHFFFAOYSA-N 2 1 236.315 1.238 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cccc2c1OCCO2 ZINC000382061286 398301596 /nfs/dbraw/zinc/30/15/96/398301596.db2.gz MRGDTMRMBCTDML-UHFFFAOYSA-N 2 1 236.315 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCF ZINC000127015492 342864665 /nfs/dbraw/zinc/86/46/65/342864665.db2.gz DIQLJVSNTUDVEO-GMTAPVOTSA-N 2 1 202.317 1.664 20 0 BDADMP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1cccnc1 ZINC000289330198 398310624 /nfs/dbraw/zinc/31/06/24/398310624.db2.gz HMTKQFUKFBZZCW-SMDDNHRTSA-N 2 1 249.358 1.187 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@H+]1C ZINC000335771563 398342434 /nfs/dbraw/zinc/34/24/34/398342434.db2.gz HZGWWEOKHZFDLY-OCCSQVGLSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CC[NH+]1C ZINC000335771563 398342435 /nfs/dbraw/zinc/34/24/35/398342435.db2.gz HZGWWEOKHZFDLY-OCCSQVGLSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC[NH+]1C ZINC000335771563 398342436 /nfs/dbraw/zinc/34/24/36/398342436.db2.gz HZGWWEOKHZFDLY-OCCSQVGLSA-N 3 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CCN1C ZINC000335771563 398342437 /nfs/dbraw/zinc/34/24/37/398342437.db2.gz HZGWWEOKHZFDLY-OCCSQVGLSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCN1C ZINC000335771563 398342438 /nfs/dbraw/zinc/34/24/38/398342438.db2.gz HZGWWEOKHZFDLY-OCCSQVGLSA-N 2 1 237.391 1.321 20 0 BDADMP CCCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368313 192055672 /nfs/dbraw/zinc/05/56/72/192055672.db2.gz VKLXMNCEBWEXAR-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313360715 259333511 /nfs/dbraw/zinc/33/35/11/259333511.db2.gz WPXOSKSIPAIBBH-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)OC1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000189534554 346895857 /nfs/dbraw/zinc/89/58/57/346895857.db2.gz KVYJKWUPMOKLKF-HSBZDZAISA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)OC1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000189534574 346896202 /nfs/dbraw/zinc/89/62/02/346896202.db2.gz KVYJKWUPMOKLKF-IYXRBSQSSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313350927 259333880 /nfs/dbraw/zinc/33/38/80/259333880.db2.gz LBYMDSPWBHLWAF-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C/C=C\c2ccccc2)CCCO1 ZINC000313342644 259334099 /nfs/dbraw/zinc/33/40/99/259334099.db2.gz GXKNFJRSEDNGDU-UVCVVPOWSA-N 2 1 246.354 1.749 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C/C=C\c2ccccc2)CCCO1 ZINC000313342644 259334100 /nfs/dbraw/zinc/33/41/00/259334100.db2.gz GXKNFJRSEDNGDU-UVCVVPOWSA-N 2 1 246.354 1.749 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000107933276 192056836 /nfs/dbraw/zinc/05/68/36/192056836.db2.gz WYPLPSQCHCNULW-WCQYABFASA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCOCC[NH3+] ZINC000357077012 187213646 /nfs/dbraw/zinc/21/36/46/187213646.db2.gz IZONBHGLFBAUFS-HIFRSBDPSA-N 2 1 248.370 1.840 20 0 BDADMP CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000308853875 259340334 /nfs/dbraw/zinc/34/03/34/259340334.db2.gz NOEDKIAXBLROIR-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000308853875 259340336 /nfs/dbraw/zinc/34/03/36/259340336.db2.gz NOEDKIAXBLROIR-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000308853875 259340338 /nfs/dbraw/zinc/34/03/38/259340338.db2.gz NOEDKIAXBLROIR-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000308853875 259340340 /nfs/dbraw/zinc/34/03/40/259340340.db2.gz NOEDKIAXBLROIR-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP C1C[C@@H]([N@H+]2C[C@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CO1 ZINC000371464048 187221790 /nfs/dbraw/zinc/22/17/90/187221790.db2.gz NXWCKYBZTHVKSX-SYQHCUMBSA-N 2 1 236.359 1.191 20 0 BDADMP C1C[C@@H]([NH+]2C[C@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CO1 ZINC000371464048 187221792 /nfs/dbraw/zinc/22/17/92/187221792.db2.gz NXWCKYBZTHVKSX-SYQHCUMBSA-N 2 1 236.359 1.191 20 0 BDADMP C1C[C@@H]([NH+]2C[C@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CO1 ZINC000371464048 187221794 /nfs/dbraw/zinc/22/17/94/187221794.db2.gz NXWCKYBZTHVKSX-SYQHCUMBSA-N 2 1 236.359 1.191 20 0 BDADMP CC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650605 343061139 /nfs/dbraw/zinc/06/11/39/343061139.db2.gz QDUWEQHXNPBOCT-LLVKDONJSA-N 2 1 223.320 1.073 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650605 343061140 /nfs/dbraw/zinc/06/11/40/343061140.db2.gz QDUWEQHXNPBOCT-LLVKDONJSA-N 2 1 223.320 1.073 20 0 BDADMP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000235926827 343067380 /nfs/dbraw/zinc/06/73/80/343067380.db2.gz UOLZSMPEPQFEIQ-VHSXEESVSA-N 2 1 225.361 1.811 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224354833 259348742 /nfs/dbraw/zinc/34/87/42/259348742.db2.gz XYJXZINTUUSKSR-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275193991 187237961 /nfs/dbraw/zinc/23/79/61/187237961.db2.gz PHCOBUVCNHPIFO-VIFPVBQESA-N 2 1 219.292 1.265 20 0 BDADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000050596278 343177489 /nfs/dbraw/zinc/17/74/89/343177489.db2.gz CFRXIPWWFRVUFX-LBPRGKRZSA-N 2 1 221.348 1.457 20 0 BDADMP CC1CC[NH+](CCN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093215418 343151353 /nfs/dbraw/zinc/15/13/53/343151353.db2.gz QPQRYNBTQJTFQN-KBPBESRZSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000576976319 365740393 /nfs/dbraw/zinc/74/03/93/365740393.db2.gz YDLDRBLTADRYGU-SMDDNHRTSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091326 136284275 /nfs/dbraw/zinc/28/42/75/136284275.db2.gz PUHGDRDOVSKPQF-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091326 136284276 /nfs/dbraw/zinc/28/42/76/136284276.db2.gz PUHGDRDOVSKPQF-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091326 136284277 /nfs/dbraw/zinc/28/42/77/136284277.db2.gz PUHGDRDOVSKPQF-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP Cc1nccn1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000348750726 136296945 /nfs/dbraw/zinc/29/69/45/136296945.db2.gz PNKWLWTYJHZBCE-BFHYXJOUSA-N 2 1 248.374 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000348750726 136296946 /nfs/dbraw/zinc/29/69/46/136296946.db2.gz PNKWLWTYJHZBCE-BFHYXJOUSA-N 3 1 248.374 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000348750726 136296947 /nfs/dbraw/zinc/29/69/47/136296947.db2.gz PNKWLWTYJHZBCE-BFHYXJOUSA-N 3 1 248.374 1.251 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000022222631 187254824 /nfs/dbraw/zinc/25/48/24/187254824.db2.gz KJZQIAWYGQECRX-UHFFFAOYSA-N 2 1 235.331 1.424 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[NH2+][C@@H](C)[C@H]1C ZINC000348755678 136297873 /nfs/dbraw/zinc/29/78/73/136297873.db2.gz ILQJQDDWBBUYAJ-NWDGAFQWSA-N 2 1 236.363 1.264 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000070624132 343335921 /nfs/dbraw/zinc/33/59/21/343335921.db2.gz MLBRZJPXVLNBRW-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000335641598 136308712 /nfs/dbraw/zinc/30/87/12/136308712.db2.gz UFVFNBPLLQAMDR-LDYMZIIASA-N 2 1 239.388 1.990 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000310203324 343381603 /nfs/dbraw/zinc/38/16/03/343381603.db2.gz CGWUOBNBIILCLB-IGQOVBAYSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000277519222 187339776 /nfs/dbraw/zinc/33/97/76/187339776.db2.gz QRNFFFVKKADXAW-ZYHUDNBSSA-N 2 1 223.320 1.206 20 0 BDADMP CCC[C@H]([NH3+])c1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641155848 362243105 /nfs/dbraw/zinc/24/31/05/362243105.db2.gz HGCWTJUBPVBYBB-JTQLQIEISA-N 2 1 248.334 1.466 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000353969704 136357095 /nfs/dbraw/zinc/35/70/95/136357095.db2.gz CFCYDHFKFHPFDI-AAVRWANBSA-N 2 1 240.391 1.589 20 0 BDADMP C[NH2+]CCC[N@H+](Cc1ccccn1)C(C)C ZINC000576993884 365747164 /nfs/dbraw/zinc/74/71/64/365747164.db2.gz FYEVCADSZGCBNX-UHFFFAOYSA-N 2 1 221.348 1.902 20 0 BDADMP C[NH2+]CCC[N@@H+](Cc1ccccn1)C(C)C ZINC000576993884 365747167 /nfs/dbraw/zinc/74/71/67/365747167.db2.gz FYEVCADSZGCBNX-UHFFFAOYSA-N 2 1 221.348 1.902 20 0 BDADMP CCc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)nc(C)[nH+]1 ZINC000216163851 136364859 /nfs/dbraw/zinc/36/48/59/136364859.db2.gz GPMYWZNVAAURAL-GXSJLCMTSA-N 2 1 234.347 1.521 20 0 BDADMP Cc1ncsc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000082634210 343458438 /nfs/dbraw/zinc/45/84/38/343458438.db2.gz PDBKOHYBSBGSOU-UHFFFAOYSA-N 2 1 227.377 1.868 20 0 BDADMP Cc1ncsc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000082634210 343458439 /nfs/dbraw/zinc/45/84/39/343458439.db2.gz PDBKOHYBSBGSOU-UHFFFAOYSA-N 2 1 227.377 1.868 20 0 BDADMP CCOCCC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000083551621 343490359 /nfs/dbraw/zinc/49/03/59/343490359.db2.gz PGRSYPJQIAQLKF-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000083551621 343490362 /nfs/dbraw/zinc/49/03/62/343490362.db2.gz PGRSYPJQIAQLKF-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH3+])C12CCCC2 ZINC000082945692 343473020 /nfs/dbraw/zinc/47/30/20/343473020.db2.gz QKUBZEFABWBVEL-WDEREUQCSA-N 2 1 212.337 1.273 20 0 BDADMP Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000084011164 343513518 /nfs/dbraw/zinc/51/35/18/343513518.db2.gz WOUYUFVCOGNHQU-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000084011164 343513521 /nfs/dbraw/zinc/51/35/21/343513521.db2.gz WOUYUFVCOGNHQU-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cn1cccn1 ZINC000049330374 343596150 /nfs/dbraw/zinc/59/61/50/343596150.db2.gz NBRVBFUPBPKUQA-NSHDSACASA-N 2 1 233.319 1.066 20 0 BDADMP C[C@@H]([NH2+]CCOCC1CCC1)c1c[nH+]ccc1N ZINC000584107292 343597440 /nfs/dbraw/zinc/59/74/40/343597440.db2.gz GMZZEGACFILHIH-LLVKDONJSA-N 2 1 249.358 1.961 20 0 BDADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000584107249 343597498 /nfs/dbraw/zinc/59/74/98/343597498.db2.gz AKXQBAFDUQINHJ-LLVKDONJSA-N 2 1 234.347 1.269 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1scnc1C ZINC000086070721 343610662 /nfs/dbraw/zinc/61/06/62/343610662.db2.gz OUADRRSEIJTUNW-QMMMGPOBSA-N 2 1 213.350 1.397 20 0 BDADMP CC[C@H]1CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000379969850 343662278 /nfs/dbraw/zinc/66/22/78/343662278.db2.gz ATPFRHSOCIOCJV-CMPLNLGQSA-N 2 1 207.321 1.741 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H]2C)C1 ZINC000309055981 346958082 /nfs/dbraw/zinc/95/80/82/346958082.db2.gz UKDGXTOYUHEIKS-YNEHKIRRSA-N 2 1 210.365 1.964 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000049330121 187270451 /nfs/dbraw/zinc/27/04/51/187270451.db2.gz MNCIOXBENLVVLT-CMPLNLGQSA-N 2 1 223.320 1.349 20 0 BDADMP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000576187630 343722593 /nfs/dbraw/zinc/72/25/93/343722593.db2.gz AARRYUZOEBRRAL-KBPBESRZSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+][C@@H](c1nc(C2([NH3+])CCCC2)no1)C1CCC1 ZINC000584112736 343759458 /nfs/dbraw/zinc/75/94/58/343759458.db2.gz GUDBYCYGYNNIJR-SECBINFHSA-N 2 1 236.319 1.598 20 0 BDADMP C(C1CC[NH2+]CC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940914 187273744 /nfs/dbraw/zinc/27/37/44/187273744.db2.gz LDHWXALBGGOKGA-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP CC[C@@H](O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309222258 346995165 /nfs/dbraw/zinc/99/51/65/346995165.db2.gz GXINGQPPAZYKCW-CYBMUJFWSA-N 2 1 226.364 1.364 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428081 187355251 /nfs/dbraw/zinc/35/52/51/187355251.db2.gz PCWORDFDCCWCOI-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428081 187355252 /nfs/dbraw/zinc/35/52/52/187355252.db2.gz PCWORDFDCCWCOI-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP CCc1[nH+]ccn1C[C@H](O)C[N@H+](C)C(C)C ZINC000381100252 343973658 /nfs/dbraw/zinc/97/36/58/343973658.db2.gz XOXDJZUYMAHHRF-LLVKDONJSA-N 2 1 225.336 1.147 20 0 BDADMP CCc1[nH+]ccn1C[C@H](O)C[N@@H+](C)C(C)C ZINC000381100252 343973660 /nfs/dbraw/zinc/97/36/60/343973660.db2.gz XOXDJZUYMAHHRF-LLVKDONJSA-N 2 1 225.336 1.147 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000381162675 344074197 /nfs/dbraw/zinc/07/41/97/344074197.db2.gz RTDJZAAHNXJNCB-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000049707609 187357246 /nfs/dbraw/zinc/35/72/46/187357246.db2.gz KFNFSPZBMNIOGG-FZMZJTMJSA-N 2 1 234.343 1.864 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000634733511 344113075 /nfs/dbraw/zinc/11/30/75/344113075.db2.gz HEIWQUCYOLASRA-AVGNSLFASA-N 2 1 239.407 1.624 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(C[NH3+])CC2)C1 ZINC000634733772 344113907 /nfs/dbraw/zinc/11/39/07/344113907.db2.gz NIZLNTRLINQFJS-NSHDSACASA-N 3 1 225.380 1.093 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892965 344117486 /nfs/dbraw/zinc/11/74/86/344117486.db2.gz GBMCZXVDDHUPMH-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892965 344117487 /nfs/dbraw/zinc/11/74/87/344117487.db2.gz GBMCZXVDDHUPMH-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP CC[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000400032223 344238537 /nfs/dbraw/zinc/23/85/37/344238537.db2.gz IYZICOBISJWXDT-AAEUAGOBSA-N 2 1 237.347 1.055 20 0 BDADMP CC[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000400032223 344238541 /nfs/dbraw/zinc/23/85/41/344238541.db2.gz IYZICOBISJWXDT-AAEUAGOBSA-N 2 1 237.347 1.055 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328453351 344298422 /nfs/dbraw/zinc/29/84/22/344298422.db2.gz DQZDSIFVFSQFJH-UMSGYPCISA-N 2 1 226.364 1.207 20 0 BDADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000093210717 344312057 /nfs/dbraw/zinc/31/20/57/344312057.db2.gz DDQXVMQNKOILGM-BFHYXJOUSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](CN1CCCCC1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093214335 344312387 /nfs/dbraw/zinc/31/23/87/344312387.db2.gz QFJPMOUPCFTOPQ-RDBSUJKOSA-N 2 1 239.407 1.720 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000600699736 344359619 /nfs/dbraw/zinc/35/96/19/344359619.db2.gz CQNIZDPWNRHACN-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP COC(=O)CCCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000600712295 344361635 /nfs/dbraw/zinc/36/16/35/344361635.db2.gz WQOCYAARNPTXCS-JTQLQIEISA-N 2 1 230.352 1.293 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000600712511 344361763 /nfs/dbraw/zinc/36/17/63/344361763.db2.gz XSYCTHCLANPDNO-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000600712243 344361825 /nfs/dbraw/zinc/36/18/25/344361825.db2.gz VGWQDZVQJLVPTH-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CCC(C)(C)C(=O)OC ZINC000600776078 344370890 /nfs/dbraw/zinc/37/08/90/344370890.db2.gz ONKWKTBYYWCUOG-WDEREUQCSA-N 2 1 242.363 1.306 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2ccsc2)CC1 ZINC000042598619 344460383 /nfs/dbraw/zinc/46/03/83/344460383.db2.gz AEGSNFRYQCBHIX-UHFFFAOYSA-N 2 1 224.373 1.974 20 0 BDADMP CC[C@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000042681168 344461840 /nfs/dbraw/zinc/46/18/40/344461840.db2.gz PXEWAPNKYYIDIW-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000042681168 344461843 /nfs/dbraw/zinc/46/18/43/344461843.db2.gz PXEWAPNKYYIDIW-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)on1 ZINC000044531275 344541237 /nfs/dbraw/zinc/54/12/37/344541237.db2.gz QFFPSWDNQVSXNS-SNVBAGLBSA-N 2 1 209.293 1.154 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)on1 ZINC000044531275 344541241 /nfs/dbraw/zinc/54/12/41/344541241.db2.gz QFFPSWDNQVSXNS-SNVBAGLBSA-N 2 1 209.293 1.154 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000158323580 344597123 /nfs/dbraw/zinc/59/71/23/344597123.db2.gz KRIPSXDDAYIKFF-DGCLKSJQSA-N 2 1 249.358 1.649 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000158323580 344597126 /nfs/dbraw/zinc/59/71/26/344597126.db2.gz KRIPSXDDAYIKFF-DGCLKSJQSA-N 2 1 249.358 1.649 20 0 BDADMP CCCCOCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000049264097 344601430 /nfs/dbraw/zinc/60/14/30/344601430.db2.gz LEJIPASDLXZMIJ-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000119889086 344642016 /nfs/dbraw/zinc/64/20/16/344642016.db2.gz ZRFUEICMNGSVSF-CMPLNLGQSA-N 2 1 212.337 1.238 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000050193321 344731002 /nfs/dbraw/zinc/73/10/02/344731002.db2.gz DNHONCCQKXUWDI-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CC1(C)C ZINC000574288782 344732616 /nfs/dbraw/zinc/73/26/16/344732616.db2.gz UDHOXMHPJQYZFP-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158591960 344689488 /nfs/dbraw/zinc/68/94/88/344689488.db2.gz UXQJLXYQKHBJLG-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000487568355 530047482 /nfs/dbraw/zinc/04/74/82/530047482.db2.gz COIHYTIZDRXAAF-NSCUHMNNSA-N 2 1 243.354 1.946 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)[C@H](C)C1 ZINC000432422009 192369670 /nfs/dbraw/zinc/36/96/70/192369670.db2.gz RSIXNXWAEBBIJZ-RYSNWHEDSA-N 2 1 240.391 1.467 20 0 BDADMP COc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000583391497 344877338 /nfs/dbraw/zinc/87/73/38/344877338.db2.gz XGAOQFCJCUGVJO-UHFFFAOYSA-N 2 1 234.343 1.881 20 0 BDADMP C(CN1CC[N@H+]2CCCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000227380496 187297236 /nfs/dbraw/zinc/29/72/36/187297236.db2.gz YTWZVWYPEHKWGM-UONOGXRCSA-N 2 1 237.391 1.156 20 0 BDADMP C(C[N@H+]1CCN2CCCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000227380496 187297239 /nfs/dbraw/zinc/29/72/39/187297239.db2.gz YTWZVWYPEHKWGM-UONOGXRCSA-N 2 1 237.391 1.156 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000228556074 187298356 /nfs/dbraw/zinc/29/83/56/187298356.db2.gz RMEZHPMMNGDEKS-UWVGGRQHSA-N 2 1 200.351 1.081 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156009998 345117220 /nfs/dbraw/zinc/11/72/20/345117220.db2.gz YKLGLHWILXGARU-HZSPNIEDSA-N 2 1 248.374 1.488 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000634990786 345173569 /nfs/dbraw/zinc/17/35/69/345173569.db2.gz CMBDKVFGYJQGAF-FRRDWIJNSA-N 3 1 227.396 1.277 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000634990786 345173571 /nfs/dbraw/zinc/17/35/71/345173571.db2.gz CMBDKVFGYJQGAF-FRRDWIJNSA-N 3 1 227.396 1.277 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC000634991047 345174194 /nfs/dbraw/zinc/17/41/94/345174194.db2.gz NXWSPEQWVHFPEK-STQMWFEESA-N 3 1 227.396 1.149 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC000634991047 345174197 /nfs/dbraw/zinc/17/41/97/345174197.db2.gz NXWSPEQWVHFPEK-STQMWFEESA-N 3 1 227.396 1.149 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000156572650 345180896 /nfs/dbraw/zinc/18/08/96/345180896.db2.gz BMGOUZFZERTTDL-ZIAGYGMSSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000156572650 345180903 /nfs/dbraw/zinc/18/09/03/345180903.db2.gz BMGOUZFZERTTDL-ZIAGYGMSSA-N 2 1 241.423 1.789 20 0 BDADMP C([N@H+]1CCC[C@H]2COCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634994788 345182938 /nfs/dbraw/zinc/18/29/38/345182938.db2.gz MSLIWDIFYUGIRE-QPPOZKHWSA-N 2 1 236.359 1.239 20 0 BDADMP CO[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC[C@H]1C ZINC000634993827 345192218 /nfs/dbraw/zinc/19/22/18/345192218.db2.gz HLRPRWYXPGDLMQ-IGJPJIBNSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC[C@H]1C ZINC000634993827 345192219 /nfs/dbraw/zinc/19/22/19/345192219.db2.gz HLRPRWYXPGDLMQ-IGJPJIBNSA-N 2 1 224.348 1.095 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CC23CC(C2)C[NH2+]3)C[C@H]1C ZINC000634994051 345192640 /nfs/dbraw/zinc/19/26/40/345192640.db2.gz PDZWPIMLCORFDQ-IWMBGFJWSA-N 2 1 237.391 1.153 20 0 BDADMP C([N@H+]1CC[C@H]2CCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634994245 345192857 /nfs/dbraw/zinc/19/28/57/345192857.db2.gz WSXAYJPWMGFTFK-QZQSVVMZSA-N 2 1 206.333 1.613 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CC23CC(C2)C[NH2+]3)C[C@@H]1C ZINC000634994053 345192867 /nfs/dbraw/zinc/19/28/67/345192867.db2.gz PDZWPIMLCORFDQ-MRFVTOPCSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000634997594 345197612 /nfs/dbraw/zinc/19/76/12/345197612.db2.gz OOVGMDMKYVSEMM-QJPTWQEYSA-N 2 1 208.349 1.907 20 0 BDADMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000634998584 345198229 /nfs/dbraw/zinc/19/82/29/345198229.db2.gz HZMNDJMAWHUEOI-VXGBXAGGSA-N 2 1 249.358 1.507 20 0 BDADMP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000634998584 345198231 /nfs/dbraw/zinc/19/82/31/345198231.db2.gz HZMNDJMAWHUEOI-VXGBXAGGSA-N 2 1 249.358 1.507 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1c[nH+]ccc1N ZINC000635007733 345214936 /nfs/dbraw/zinc/21/49/36/345214936.db2.gz XNOCSLDUKSXTQT-IJLUTSLNSA-N 3 1 248.374 1.662 20 0 BDADMP C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000635008058 345215652 /nfs/dbraw/zinc/21/56/52/345215652.db2.gz YPUBBINCOJAVOA-ZDEQEGDKSA-N 2 1 225.380 1.234 20 0 BDADMP CCC(O)(CC)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000626111413 345271624 /nfs/dbraw/zinc/27/16/24/345271624.db2.gz NNARTVBXFZTAMJ-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CCSCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000158566901 345349655 /nfs/dbraw/zinc/34/96/55/345349655.db2.gz KCBYDEIZIMXUDC-NSHDSACASA-N 2 1 216.394 1.671 20 0 BDADMP CCSCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000158579099 345351755 /nfs/dbraw/zinc/35/17/55/345351755.db2.gz NEFYHUHYLDXJSM-GHMZBOCLSA-N 2 1 216.394 1.799 20 0 BDADMP CCC[C@@H](C)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000051297825 345399243 /nfs/dbraw/zinc/39/92/43/345399243.db2.gz KHSBVDWQEVYCGD-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000051297825 345399244 /nfs/dbraw/zinc/39/92/44/345399244.db2.gz KHSBVDWQEVYCGD-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C=Cn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000194339468 192089143 /nfs/dbraw/zinc/08/91/43/192089143.db2.gz LZUDOLIMEMJWIU-UHFFFAOYSA-N 2 1 236.363 1.661 20 0 BDADMP Cc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc(C)[nH+]1 ZINC000641673747 362597319 /nfs/dbraw/zinc/59/73/19/362597319.db2.gz SWFNGXZUEQGBKF-VXGBXAGGSA-N 2 1 234.347 1.988 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000309267331 187308591 /nfs/dbraw/zinc/30/85/91/187308591.db2.gz RIHWXCODHACHMC-JHJVBQTASA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000309267331 187308592 /nfs/dbraw/zinc/30/85/92/187308592.db2.gz RIHWXCODHACHMC-JHJVBQTASA-N 2 1 228.380 1.872 20 0 BDADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400727627 345643763 /nfs/dbraw/zinc/64/37/63/345643763.db2.gz PUUMMYRAYGFCPT-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP COC[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000678884334 488293346 /nfs/dbraw/zinc/29/33/46/488293346.db2.gz GBOKXRMQQAEFRG-GFCCVEGCSA-N 2 1 223.320 1.384 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)OCC1CC1 ZINC000428029922 345704519 /nfs/dbraw/zinc/70/45/19/345704519.db2.gz GBUCCUOGHLHEAY-STQMWFEESA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)OCC1CC1 ZINC000428029922 345704521 /nfs/dbraw/zinc/70/45/21/345704521.db2.gz GBUCCUOGHLHEAY-STQMWFEESA-N 2 1 224.348 1.097 20 0 BDADMP Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418991984 192091524 /nfs/dbraw/zinc/09/15/24/192091524.db2.gz FJZZYBHQENVMTH-CHWSQXEVSA-N 2 1 249.358 1.281 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000335919822 345875546 /nfs/dbraw/zinc/87/55/46/345875546.db2.gz DFKRBILIFASHJM-LBPRGKRZSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]1C[C@@H](NC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000307707842 345926493 /nfs/dbraw/zinc/92/64/93/345926493.db2.gz ZVLDAQXNAAUMPE-GXTWGEPZSA-N 2 1 245.370 1.211 20 0 BDADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000310431756 187312609 /nfs/dbraw/zinc/31/26/09/187312609.db2.gz QIMXCKITZRFMAG-LLVKDONJSA-N 2 1 237.347 1.378 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000300900133 187312670 /nfs/dbraw/zinc/31/26/70/187312670.db2.gz VZKYISKZYHTMRK-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C=Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000194354496 187316359 /nfs/dbraw/zinc/31/63/59/187316359.db2.gz CAXGLDYRHQXDKI-KGLIPLIRSA-N 2 1 248.374 1.946 20 0 BDADMP Cc1nc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)[nH]c1C ZINC000628240545 346202524 /nfs/dbraw/zinc/20/25/24/346202524.db2.gz JJEHKQCIBNUJSQ-UWVGGRQHSA-N 2 1 236.363 1.551 20 0 BDADMP Cc1c[nH]c(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000628240398 346202686 /nfs/dbraw/zinc/20/26/86/346202686.db2.gz CTIDPDCWUWKPPZ-QWRGUYRKSA-N 2 1 222.336 1.243 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000381511933 346217965 /nfs/dbraw/zinc/21/79/65/346217965.db2.gz RIHWXCODHACHMC-YNEHKIRRSA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000381511933 346217967 /nfs/dbraw/zinc/21/79/67/346217967.db2.gz RIHWXCODHACHMC-YNEHKIRRSA-N 2 1 228.380 1.872 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C)c1O ZINC000090320166 537956650 /nfs/dbraw/zinc/95/66/50/537956650.db2.gz FHVGQBNQBZQTFC-OKILXGFUSA-N 2 1 246.354 1.660 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000641747572 362673997 /nfs/dbraw/zinc/67/39/97/362673997.db2.gz LKVFVMOQIGRLLC-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000641747572 362674001 /nfs/dbraw/zinc/67/40/01/362674001.db2.gz LKVFVMOQIGRLLC-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000300358106 346340437 /nfs/dbraw/zinc/34/04/37/346340437.db2.gz BNMZFLFIBLBRDU-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc[nH]c1 ZINC000641772869 362712996 /nfs/dbraw/zinc/71/29/96/362712996.db2.gz UMYCHMCHYBMGAL-ZDUSSCGKSA-N 2 1 239.363 1.197 20 0 BDADMP Cc1ncc(C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000641774129 362718478 /nfs/dbraw/zinc/71/84/78/362718478.db2.gz CBNKHXCKXXYAAH-UHFFFAOYSA-N 2 1 220.276 1.049 20 0 BDADMP CCc1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000641799665 362748378 /nfs/dbraw/zinc/74/83/78/362748378.db2.gz YTUKYOOIXBYMDE-MWLCHTKSSA-N 2 1 237.347 1.715 20 0 BDADMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC000358164104 179093963 /nfs/dbraw/zinc/09/39/63/179093963.db2.gz MVJVKURGDOFAEU-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1C ZINC000358164104 179093967 /nfs/dbraw/zinc/09/39/67/179093967.db2.gz MVJVKURGDOFAEU-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP CCC[C@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC000641798144 362739779 /nfs/dbraw/zinc/73/97/79/362739779.db2.gz LJDORQCOVACUQX-ZDUSSCGKSA-N 2 1 236.363 1.037 20 0 BDADMP CCCCCNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802766 362763468 /nfs/dbraw/zinc/76/34/68/362763468.db2.gz OMUMCECGVQEHKJ-QWRGUYRKSA-N 2 1 241.379 1.008 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000641801967 362758112 /nfs/dbraw/zinc/75/81/12/362758112.db2.gz WPUBRBHCJNIEAK-MNOVXSKESA-N 2 1 239.750 1.950 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)nc(C)n1 ZINC000641802225 362758796 /nfs/dbraw/zinc/75/87/96/362758796.db2.gz ZSKJIEKBGHHHNJ-VXGBXAGGSA-N 2 1 234.347 1.309 20 0 BDADMP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CCCc2n[nH]cc21 ZINC000375854276 346566351 /nfs/dbraw/zinc/56/63/51/346566351.db2.gz SVHHMTRIDNAMGE-WCQYABFASA-N 2 1 248.374 1.861 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CCCc2n[nH]cc21 ZINC000375854276 346566355 /nfs/dbraw/zinc/56/63/55/346566355.db2.gz SVHHMTRIDNAMGE-WCQYABFASA-N 2 1 248.374 1.861 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000187179884 346558949 /nfs/dbraw/zinc/55/89/49/346558949.db2.gz OWUAHAZMVRQQQT-LBPRGKRZSA-N 2 1 228.380 1.543 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@@H]1C ZINC000380044355 365825291 /nfs/dbraw/zinc/82/52/91/365825291.db2.gz VIWOEYCMDPOREB-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@@H]1C ZINC000380044355 365825296 /nfs/dbraw/zinc/82/52/96/365825296.db2.gz VIWOEYCMDPOREB-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000380044355 365825298 /nfs/dbraw/zinc/82/52/98/365825298.db2.gz VIWOEYCMDPOREB-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000380044355 365825301 /nfs/dbraw/zinc/82/53/01/365825301.db2.gz VIWOEYCMDPOREB-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP Cc1cccc(N2C[C@@H](C[NH3+])C[C@@H]2C)[nH+]1 ZINC000127021282 179123263 /nfs/dbraw/zinc/12/32/63/179123263.db2.gz LWAPMWPICMEGSF-WDEREUQCSA-N 2 1 205.305 1.564 20 0 BDADMP Cc1cccc(N2C[C@H](C[NH3+])C[C@H]2C)[nH+]1 ZINC000228083738 179123528 /nfs/dbraw/zinc/12/35/28/179123528.db2.gz LWAPMWPICMEGSF-MNOVXSKESA-N 2 1 205.305 1.564 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000187865714 346635729 /nfs/dbraw/zinc/63/57/29/346635729.db2.gz RDRKDGINXGQPTI-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000252690018 346762256 /nfs/dbraw/zinc/76/22/56/346762256.db2.gz SXSJKYREIGUMPP-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP NC[C@@H]1CCC[N@H+]1[C@@H]1CCCSC1 ZINC000168798760 346743852 /nfs/dbraw/zinc/74/38/52/346743852.db2.gz RTPXFDFDEAEDNS-VHSXEESVSA-N 2 1 200.351 1.305 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CCCSC1 ZINC000168798760 346743855 /nfs/dbraw/zinc/74/38/55/346743855.db2.gz RTPXFDFDEAEDNS-VHSXEESVSA-N 2 1 200.351 1.305 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000309634800 347126075 /nfs/dbraw/zinc/12/60/75/347126075.db2.gz JCHVLJCTPACPKI-GFCCVEGCSA-N 2 1 226.364 1.344 20 0 BDADMP Cc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358251461 179182412 /nfs/dbraw/zinc/18/24/12/179182412.db2.gz MFVSTBRKOUDHMQ-HIFRSBDPSA-N 2 1 248.370 1.712 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250614569 362812907 /nfs/dbraw/zinc/81/29/07/362812907.db2.gz NOFHWFNVOUCDJN-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP CO[C@H]([C@H](C)[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000388278709 347286809 /nfs/dbraw/zinc/28/68/09/347286809.db2.gz KRQCKVCHYZUQLP-GXFFZTMASA-N 2 1 226.364 1.484 20 0 BDADMP CCC1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCC1 ZINC000382605600 347372926 /nfs/dbraw/zinc/37/29/26/347372926.db2.gz SIXWEYFDPLBECC-CYBMUJFWSA-N 2 1 240.391 1.754 20 0 BDADMP CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCC1 ZINC000382605600 347372928 /nfs/dbraw/zinc/37/29/28/347372928.db2.gz SIXWEYFDPLBECC-CYBMUJFWSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000577231796 365893122 /nfs/dbraw/zinc/89/31/22/365893122.db2.gz RCVBLLSWSCTAOV-CHWSQXEVSA-N 2 1 239.407 1.720 20 0 BDADMP Cc1cnc(C)nc1NC[C@H](C)[N@@H+](C)C1CC1 ZINC000577231864 365893476 /nfs/dbraw/zinc/89/34/76/365893476.db2.gz RYVAQXSMKMRWGB-JTQLQIEISA-N 2 1 234.347 1.410 20 0 BDADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000591272384 347636637 /nfs/dbraw/zinc/63/66/37/347636637.db2.gz FTUUJEJHRDRZNB-NSHDSACASA-N 2 1 242.363 1.246 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000252904862 347691908 /nfs/dbraw/zinc/69/19/08/347691908.db2.gz QYMYTJKSHAVKLF-KKUMJFAQSA-N 2 1 245.370 1.949 20 0 BDADMP C[N@@H+](CC1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000082546004 347800673 /nfs/dbraw/zinc/80/06/73/347800673.db2.gz WPEDRHGQTYYNDK-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)COC)C1 ZINC000151140465 192371143 /nfs/dbraw/zinc/37/11/43/192371143.db2.gz SNOQTMKNSNAEAM-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000070909037 179376415 /nfs/dbraw/zinc/37/64/15/179376415.db2.gz MSDFBFGAHOITEZ-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000070909037 179376417 /nfs/dbraw/zinc/37/64/17/179376417.db2.gz MSDFBFGAHOITEZ-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cc(N[C@@H]2CC[NH2+][C@H](C)C2)nc(C)[nH+]1 ZINC000235390495 490157273 /nfs/dbraw/zinc/15/72/73/490157273.db2.gz HTJMZZDVKOXORD-LDYMZIIASA-N 2 1 220.320 1.646 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623488010 362911931 /nfs/dbraw/zinc/91/19/31/362911931.db2.gz DRSOOGCEJVNYBN-NEPJUHHUSA-N 2 1 244.379 1.110 20 0 BDADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000361414747 535074501 /nfs/dbraw/zinc/07/45/01/535074501.db2.gz LPXFHXUHBTXAAZ-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000361414747 535074504 /nfs/dbraw/zinc/07/45/04/535074504.db2.gz LPXFHXUHBTXAAZ-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000361414747 535074512 /nfs/dbraw/zinc/07/45/12/535074512.db2.gz LPXFHXUHBTXAAZ-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)CC1(C)C ZINC000623505328 362928959 /nfs/dbraw/zinc/92/89/59/362928959.db2.gz YVUUJRUZDGYRDN-RWMBFGLXSA-N 2 1 240.391 1.610 20 0 BDADMP CCSC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000596654223 348607606 /nfs/dbraw/zinc/60/76/06/348607606.db2.gz YUDDCIVKAANQCR-GHMZBOCLSA-N 2 1 228.405 1.860 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C(=O)OC)C2)CC1 ZINC000597244312 348687392 /nfs/dbraw/zinc/68/73/92/348687392.db2.gz WQGPNEMJNOUCLQ-UMSPYCQHSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829954 362930996 /nfs/dbraw/zinc/93/09/96/362930996.db2.gz NJKWUPZMLQTWIG-YVECIDJPSA-N 2 1 226.364 1.756 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829954 362931002 /nfs/dbraw/zinc/93/10/02/362931002.db2.gz NJKWUPZMLQTWIG-YVECIDJPSA-N 2 1 226.364 1.756 20 0 BDADMP CCC[N@@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669383810 538012325 /nfs/dbraw/zinc/01/23/25/538012325.db2.gz YKPMPYOSZQSSML-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C([NH2+][C@H]1CCCOC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070013464 490197408 /nfs/dbraw/zinc/19/74/08/490197408.db2.gz FUMLCSKGSILTDK-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CCOCC2)CC[N@H+]1C ZINC000397894948 362932586 /nfs/dbraw/zinc/93/25/86/362932586.db2.gz UPUYEMUCQYYQCC-AAEUAGOBSA-N 2 1 224.348 1.405 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361982973 490228538 /nfs/dbraw/zinc/22/85/38/490228538.db2.gz SEUVRQFXMIAMEB-ABXWRUBCSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361982973 490228543 /nfs/dbraw/zinc/22/85/43/490228543.db2.gz SEUVRQFXMIAMEB-ABXWRUBCSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250627782 349177062 /nfs/dbraw/zinc/17/70/62/349177062.db2.gz QNHGDAWSKDRIJP-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250627782 349177066 /nfs/dbraw/zinc/17/70/66/349177066.db2.gz QNHGDAWSKDRIJP-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250627782 349177069 /nfs/dbraw/zinc/17/70/69/349177069.db2.gz QNHGDAWSKDRIJP-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP CCSCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000159236487 349155913 /nfs/dbraw/zinc/15/59/13/349155913.db2.gz UPCVDEQKIIOHRJ-FOSCPWQOSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCO1 ZINC000530214222 323216363 /nfs/dbraw/zinc/21/63/63/323216363.db2.gz CIZOASOKBFYWAU-TUAOUCFPSA-N 2 1 224.348 1.428 20 0 BDADMP CC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623528546 362946868 /nfs/dbraw/zinc/94/68/68/362946868.db2.gz SMZPSWIXISAJPH-RYUDHWBXSA-N 2 1 228.380 1.874 20 0 BDADMP CCCc1[nH+]ccn1Cc1nc(C(C)(C)[NH3+])no1 ZINC000070424590 350006481 /nfs/dbraw/zinc/00/64/81/350006481.db2.gz BAQKQBDTSONOGO-UHFFFAOYSA-N 2 1 249.318 1.461 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC000121866433 350014227 /nfs/dbraw/zinc/01/42/27/350014227.db2.gz GLDMTLVYEQXYEV-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000070909061 350075441 /nfs/dbraw/zinc/07/54/41/350075441.db2.gz NMHDNAVRAATBSO-RYUDHWBXSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000070909061 350075443 /nfs/dbraw/zinc/07/54/43/350075443.db2.gz NMHDNAVRAATBSO-RYUDHWBXSA-N 2 1 219.332 1.702 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CO1 ZINC000402208863 350043843 /nfs/dbraw/zinc/04/38/43/350043843.db2.gz IXEAMSKMEXGYGD-NJMOYASZSA-N 2 1 226.364 1.482 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000422702762 192434885 /nfs/dbraw/zinc/43/48/85/192434885.db2.gz LMTGLPPQSXWPNA-XQQFMLRXSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H](CO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219291877 350120397 /nfs/dbraw/zinc/12/03/97/350120397.db2.gz RYHYEUUPHVLTEB-FUDCBSFHSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CC[N@H+]1C ZINC000133121601 191037903 /nfs/dbraw/zinc/03/79/03/191037903.db2.gz HWLMYZLTJWUJPR-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000532531149 323273968 /nfs/dbraw/zinc/27/39/68/323273968.db2.gz SBQRJQNMRXEMOI-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000532531149 323273971 /nfs/dbraw/zinc/27/39/71/323273971.db2.gz SBQRJQNMRXEMOI-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000532531149 323273974 /nfs/dbraw/zinc/27/39/74/323273974.db2.gz SBQRJQNMRXEMOI-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000228202734 180146828 /nfs/dbraw/zinc/14/68/28/180146828.db2.gz IHLNRMZRNTYSIZ-WPRPVWTQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000228202734 180146830 /nfs/dbraw/zinc/14/68/30/180146830.db2.gz IHLNRMZRNTYSIZ-WPRPVWTQSA-N 2 1 225.361 1.621 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000309210525 350191384 /nfs/dbraw/zinc/19/13/84/350191384.db2.gz DLCRYDDHGKTZIW-UPJWGTAASA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000309210525 350191385 /nfs/dbraw/zinc/19/13/85/350191385.db2.gz DLCRYDDHGKTZIW-UPJWGTAASA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000309210525 350191388 /nfs/dbraw/zinc/19/13/88/350191388.db2.gz DLCRYDDHGKTZIW-UPJWGTAASA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000309210520 350191430 /nfs/dbraw/zinc/19/14/30/350191430.db2.gz DLCRYDDHGKTZIW-AGIUHOORSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000309210520 350191431 /nfs/dbraw/zinc/19/14/31/350191431.db2.gz DLCRYDDHGKTZIW-AGIUHOORSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000309210520 350191433 /nfs/dbraw/zinc/19/14/33/350191433.db2.gz DLCRYDDHGKTZIW-AGIUHOORSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000083425469 350205076 /nfs/dbraw/zinc/20/50/76/350205076.db2.gz SOBIREDKPMVNQE-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000334858784 180222553 /nfs/dbraw/zinc/22/25/53/180222553.db2.gz VFPUMQBOKHLPJZ-GWCFXTLKSA-N 2 1 219.332 1.478 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000338011635 180246851 /nfs/dbraw/zinc/24/68/51/180246851.db2.gz KZFFPDLBLBOVAL-AAEUAGOBSA-N 2 1 237.347 1.596 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000337948131 180248222 /nfs/dbraw/zinc/24/82/22/180248222.db2.gz KQBWHDBUZTXHKR-DGCLKSJQSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCN1CCC[C@@H]([NH+](C)C)C1 ZINC000336711617 180249189 /nfs/dbraw/zinc/24/91/89/180249189.db2.gz RLCSBNKPYSGEJK-CYBMUJFWSA-N 2 1 236.363 1.218 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000336703729 180249440 /nfs/dbraw/zinc/24/94/40/180249440.db2.gz BRPNZPOBGOSDCW-GFCCVEGCSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](CO)C(C)(C)C ZINC000336703729 180249443 /nfs/dbraw/zinc/24/94/43/180249443.db2.gz BRPNZPOBGOSDCW-GFCCVEGCSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352664514 180251607 /nfs/dbraw/zinc/25/16/07/180251607.db2.gz CCMJPBSINMQLIO-NWDGAFQWSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352664514 180251609 /nfs/dbraw/zinc/25/16/09/180251609.db2.gz CCMJPBSINMQLIO-NWDGAFQWSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[NH+](CC2CC2)CC1 ZINC000336722602 180255971 /nfs/dbraw/zinc/25/59/71/180255971.db2.gz YEUGRHOEQZSVMT-UHFFFAOYSA-N 2 1 248.374 1.219 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCCC1 ZINC000309275204 350252236 /nfs/dbraw/zinc/25/22/36/350252236.db2.gz RXALDGRPKUPATA-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(O)CC1 ZINC000269138984 180241533 /nfs/dbraw/zinc/24/15/33/180241533.db2.gz YYDDYZZNJUCHTB-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000278947463 180243248 /nfs/dbraw/zinc/24/32/48/180243248.db2.gz YVAUOJAZUWMZDJ-ZDUSSCGKSA-N 2 1 235.331 1.864 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccnn1C ZINC000338012491 180244769 /nfs/dbraw/zinc/24/47/69/180244769.db2.gz RIEJQCREGJNNFX-NSHDSACASA-N 2 1 247.346 1.666 20 0 BDADMP Cc1cnc(C[NH2+]CCCn2cc[nH+]c2C)n1C ZINC000341115828 180245261 /nfs/dbraw/zinc/24/52/61/180245261.db2.gz BEXHUPCQONKETC-UHFFFAOYSA-N 2 1 247.346 1.413 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H](C)CCSC ZINC000309292291 350256049 /nfs/dbraw/zinc/25/60/49/350256049.db2.gz WBXYJNZGBOGEJE-NEPJUHHUSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)CCSC ZINC000309292291 350256054 /nfs/dbraw/zinc/25/60/54/350256054.db2.gz WBXYJNZGBOGEJE-NEPJUHHUSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)CCSC ZINC000309292291 350256056 /nfs/dbraw/zinc/25/60/56/350256056.db2.gz WBXYJNZGBOGEJE-NEPJUHHUSA-N 2 1 248.436 1.372 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(C)c1 ZINC000237395304 180266221 /nfs/dbraw/zinc/26/62/21/180266221.db2.gz LFWIQJKEPQUKOS-NSHDSACASA-N 2 1 247.346 1.351 20 0 BDADMP C[C@H](C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000384320565 350280967 /nfs/dbraw/zinc/28/09/67/350280967.db2.gz OOAMAFRDVUUMGE-DGCLKSJQSA-N 2 1 222.332 1.042 20 0 BDADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000384320565 350280970 /nfs/dbraw/zinc/28/09/70/350280970.db2.gz OOAMAFRDVUUMGE-DGCLKSJQSA-N 2 1 222.332 1.042 20 0 BDADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000325109076 350313867 /nfs/dbraw/zinc/31/38/67/350313867.db2.gz YWDTZKXAJAQAPG-KGLIPLIRSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ncsc1CC[N@H+](C)C1CC[NH2+]CC1 ZINC000050285414 180306813 /nfs/dbraw/zinc/30/68/13/180306813.db2.gz SVASOBLWNLHBAN-UHFFFAOYSA-N 2 1 239.388 1.678 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000309253545 323332952 /nfs/dbraw/zinc/33/29/52/323332952.db2.gz NRQDEHOMIAYHDP-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000563953326 323333770 /nfs/dbraw/zinc/33/37/70/323333770.db2.gz HZWMOYMZHYJXDT-CYBMUJFWSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)CC[C@H]1[NH3+] ZINC000328218634 350393564 /nfs/dbraw/zinc/39/35/64/350393564.db2.gz XRXZPDBSYHRCPX-YVECIDJPSA-N 2 1 226.364 1.207 20 0 BDADMP Cc1ncsc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271869031 180320879 /nfs/dbraw/zinc/32/08/79/180320879.db2.gz KCCHKDPFAYBNFY-UHFFFAOYSA-N 2 1 237.372 1.803 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228152825 180337120 /nfs/dbraw/zinc/33/71/20/180337120.db2.gz KCICMBJTOVTUGS-JOYOIKCWSA-N 2 1 236.363 1.206 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228065387 180338453 /nfs/dbraw/zinc/33/84/53/180338453.db2.gz QQZHHTURQJYNBZ-SKDRFNHKSA-N 2 1 236.363 1.206 20 0 BDADMP CC[N@@H+]1CCCN(CCn2cc[nH+]c2C)CC1 ZINC000336681464 350441473 /nfs/dbraw/zinc/44/14/73/350441473.db2.gz CTROXGRMJJDOSE-UHFFFAOYSA-N 2 1 236.363 1.219 20 0 BDADMP CC[N@H+]1CCCN(CCn2cc[nH+]c2C)CC1 ZINC000336681464 350441477 /nfs/dbraw/zinc/44/14/77/350441477.db2.gz CTROXGRMJJDOSE-UHFFFAOYSA-N 2 1 236.363 1.219 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COCC2(C)C)CC1(C)C ZINC000623541682 362959510 /nfs/dbraw/zinc/95/95/10/362959510.db2.gz TWFZMRDYPGWJTN-NWDGAFQWSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000163315883 350517193 /nfs/dbraw/zinc/51/71/93/350517193.db2.gz DLNCTJLCDZCIND-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000577499542 365970704 /nfs/dbraw/zinc/97/07/04/365970704.db2.gz YYBQIKWGURQLHN-LLVKDONJSA-N 2 1 238.379 1.767 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1c[nH]nc1-c1cccnc1 ZINC000571045688 350693280 /nfs/dbraw/zinc/69/32/80/350693280.db2.gz CATRKLRELAWBNL-UHFFFAOYSA-N 2 1 245.330 1.252 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250563172 350882058 /nfs/dbraw/zinc/88/20/58/350882058.db2.gz CVVQDPHRRJZZGI-UWVGGRQHSA-N 2 1 200.351 1.033 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1(CO)CC1 ZINC000623563811 362989009 /nfs/dbraw/zinc/98/90/09/362989009.db2.gz KQHVIVAABDUYJE-VXGBXAGGSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000336648634 191133344 /nfs/dbraw/zinc/13/33/44/191133344.db2.gz GFTOHNYLBHWGND-ZDUSSCGKSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000336648634 191133345 /nfs/dbraw/zinc/13/33/45/191133345.db2.gz GFTOHNYLBHWGND-ZDUSSCGKSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336648634 191133338 /nfs/dbraw/zinc/13/33/38/191133338.db2.gz GFTOHNYLBHWGND-ZDUSSCGKSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336648634 191133341 /nfs/dbraw/zinc/13/33/41/191133341.db2.gz GFTOHNYLBHWGND-ZDUSSCGKSA-N 2 1 226.364 1.314 20 0 BDADMP COC1(C[N@@H+]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000379945236 351295412 /nfs/dbraw/zinc/29/54/12/351295412.db2.gz QJHQSKAFHGXSMV-LLVKDONJSA-N 2 1 212.337 1.369 20 0 BDADMP COC1(C[N@H+]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000379945236 351295414 /nfs/dbraw/zinc/29/54/14/351295414.db2.gz QJHQSKAFHGXSMV-LLVKDONJSA-N 2 1 212.337 1.369 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223646585 535159948 /nfs/dbraw/zinc/15/99/48/535159948.db2.gz XEOFSBYGMBMROK-UMSGYPCISA-N 2 1 228.380 1.322 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNCc1nccn1CC ZINC000218319169 351505852 /nfs/dbraw/zinc/50/58/52/351505852.db2.gz ZQNAJHUGRBBPLD-LBPRGKRZSA-N 2 1 238.379 1.723 20 0 BDADMP CC(C)(O)CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000674231302 487527590 /nfs/dbraw/zinc/52/75/90/487527590.db2.gz LNIIUPWOQCRKCQ-LBPRGKRZSA-N 2 1 237.347 1.681 20 0 BDADMP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000637828714 351676629 /nfs/dbraw/zinc/67/66/29/351676629.db2.gz GRERSXLIGXENQP-LLVKDONJSA-N 2 1 247.342 1.121 20 0 BDADMP C[C@@H]1CN(C2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000307273618 351826888 /nfs/dbraw/zinc/82/68/88/351826888.db2.gz OMSLHDLMYOARAV-CYBMUJFWSA-N 2 1 245.370 1.165 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@@H]1CCCOC1 ZINC000414854742 351906032 /nfs/dbraw/zinc/90/60/32/351906032.db2.gz VIXIJBABMHZXFU-RYUDHWBXSA-N 2 1 214.353 1.376 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000638077617 351950992 /nfs/dbraw/zinc/95/09/92/351950992.db2.gz VTFWXGXZSBTGTF-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP C(C[C@@H]1CCO1)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638088701 351967001 /nfs/dbraw/zinc/96/70/01/351967001.db2.gz FXSFHJAXVMIFQE-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[C@@H]1CCO1)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638088701 351967004 /nfs/dbraw/zinc/96/70/04/351967004.db2.gz FXSFHJAXVMIFQE-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC000414870097 351988232 /nfs/dbraw/zinc/98/82/32/351988232.db2.gz RZLMJEQQGVATAN-FRRDWIJNSA-N 2 1 226.364 1.533 20 0 BDADMP C[N@@H+](CC(=O)NC(C)(C)CC[NH3+])CC(C)(C)C ZINC000638356246 352168856 /nfs/dbraw/zinc/16/88/56/352168856.db2.gz ZBBOELPWFVYZCD-UHFFFAOYSA-N 2 1 243.395 1.208 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414978911 352417488 /nfs/dbraw/zinc/41/74/88/352417488.db2.gz STRHOQXYAPZGPZ-KGLIPLIRSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CS1 ZINC000252162581 363187632 /nfs/dbraw/zinc/18/76/32/363187632.db2.gz QALNUVGOHTWSRJ-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CSC2)CC[N@@H+]1C ZINC000307677800 352755001 /nfs/dbraw/zinc/75/50/01/352755001.db2.gz MLDNZPWJOGVGTH-RKDXNWHRSA-N 2 1 200.351 1.174 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CSC2)CC[N@H+]1C ZINC000307677800 352755003 /nfs/dbraw/zinc/75/50/03/352755003.db2.gz MLDNZPWJOGVGTH-RKDXNWHRSA-N 2 1 200.351 1.174 20 0 BDADMP CC[NH+]1CCC([NH2+][C@]2(C)CCCOC2)CC1 ZINC000334188797 352779096 /nfs/dbraw/zinc/77/90/96/352779096.db2.gz JWXWRYWXTLIWCJ-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(Cc2cncn2C)C[C@@H]1C ZINC000334198471 352790960 /nfs/dbraw/zinc/79/09/60/352790960.db2.gz LQBJYLXBDGWCJQ-NWDGAFQWSA-N 2 1 236.363 1.335 20 0 BDADMP C[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334209158 352805109 /nfs/dbraw/zinc/80/51/09/352805109.db2.gz MPRBUBASFJETPY-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1CCCn1ccnc1 ZINC000412063483 191256464 /nfs/dbraw/zinc/25/64/64/191256464.db2.gz BEBWYOBGSOWITN-CHWSQXEVSA-N 2 1 237.347 1.366 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCCC2(CCOCC2)C1 ZINC000261797830 535196872 /nfs/dbraw/zinc/19/68/72/535196872.db2.gz OXBZFBJMEHLEMB-UHFFFAOYSA-N 2 1 226.364 1.616 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC[C@@H]3CCO3)[C@@H]2C1 ZINC000638917218 353081172 /nfs/dbraw/zinc/08/11/72/353081172.db2.gz CTUAHXPXEFCCEE-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC[C@@H]3CCO3)[C@@H]2C1 ZINC000638917218 353081173 /nfs/dbraw/zinc/08/11/73/353081173.db2.gz CTUAHXPXEFCCEE-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC[C@@H]3CCO3)[C@@H]2C1 ZINC000638917218 353081175 /nfs/dbraw/zinc/08/11/75/353081175.db2.gz CTUAHXPXEFCCEE-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC[C@@H]3CCO3)[C@@H]2C1 ZINC000638917218 353081177 /nfs/dbraw/zinc/08/11/77/353081177.db2.gz CTUAHXPXEFCCEE-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336664668 188011718 /nfs/dbraw/zinc/01/17/18/188011718.db2.gz FWISXNKOQPNORJ-YNEHKIRRSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336664668 188011720 /nfs/dbraw/zinc/01/17/20/188011720.db2.gz FWISXNKOQPNORJ-YNEHKIRRSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336664668 188011722 /nfs/dbraw/zinc/01/17/22/188011722.db2.gz FWISXNKOQPNORJ-YNEHKIRRSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336664668 188011724 /nfs/dbraw/zinc/01/17/24/188011724.db2.gz FWISXNKOQPNORJ-YNEHKIRRSA-N 2 1 228.380 1.418 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000128258587 188047891 /nfs/dbraw/zinc/04/78/91/188047891.db2.gz JYCVTVSQGIAMRJ-GFCCVEGCSA-N 2 1 236.363 1.289 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093210635 188050233 /nfs/dbraw/zinc/05/02/33/188050233.db2.gz KVJMXZGTHHPYBR-JSGCOSHPSA-N 3 1 239.407 1.719 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291752545 188050598 /nfs/dbraw/zinc/05/05/98/188050598.db2.gz QIPZRGGXJMQCOR-SNVBAGLBSA-N 2 1 224.352 1.016 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCOCC1 ZINC000045692151 353151308 /nfs/dbraw/zinc/15/13/08/353151308.db2.gz GQAZHERTOFLCJH-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CCC[N@@H+](C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638997854 353240303 /nfs/dbraw/zinc/24/03/03/353240303.db2.gz YEHSMYAMZYQGJF-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP COc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251860794 353292440 /nfs/dbraw/zinc/29/24/40/353292440.db2.gz SLGGHJRVLNHHOF-DGCLKSJQSA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251860794 353292442 /nfs/dbraw/zinc/29/24/42/353292442.db2.gz SLGGHJRVLNHHOF-DGCLKSJQSA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251942159 353294028 /nfs/dbraw/zinc/29/40/28/353294028.db2.gz ZRDQUJUQLMWZKT-DGCLKSJQSA-N 2 1 219.332 1.293 20 0 BDADMP CC(C)C[C@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000343272472 353295426 /nfs/dbraw/zinc/29/54/26/353295426.db2.gz UOOAWCPRKCQQJI-MGPQQGTHSA-N 2 1 241.423 1.502 20 0 BDADMP CC(C)C[C@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000343272472 353295429 /nfs/dbraw/zinc/29/54/29/353295429.db2.gz UOOAWCPRKCQQJI-MGPQQGTHSA-N 2 1 241.423 1.502 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000252448236 353299792 /nfs/dbraw/zinc/29/97/92/353299792.db2.gz UFXDKUDDDMDYPR-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000252448236 353299795 /nfs/dbraw/zinc/29/97/95/353299795.db2.gz UFXDKUDDDMDYPR-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP Oc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000085282318 538116047 /nfs/dbraw/zinc/11/60/47/538116047.db2.gz PYUMLAZQWWJKAR-VXGBXAGGSA-N 2 1 218.300 1.043 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000226541526 538116727 /nfs/dbraw/zinc/11/67/27/538116727.db2.gz QLNCLPXQOMMNJI-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CC[C@@H]1CCOC1 ZINC000343627882 353948252 /nfs/dbraw/zinc/94/82/52/353948252.db2.gz VRKUXSWICMGYET-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000344068296 354131879 /nfs/dbraw/zinc/13/18/79/354131879.db2.gz VGXPXKODCKVSGM-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000344068296 354131882 /nfs/dbraw/zinc/13/18/82/354131882.db2.gz VGXPXKODCKVSGM-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344068296 354131884 /nfs/dbraw/zinc/13/18/84/354131884.db2.gz VGXPXKODCKVSGM-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CN(CCC[N@@H+](C)CC1CC1)CC[NH+](C)C ZINC000344039783 354104962 /nfs/dbraw/zinc/10/49/62/354104962.db2.gz URRXSGCCRYZVDP-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@]1(OC)CCOC1 ZINC000639176559 354199845 /nfs/dbraw/zinc/19/98/45/354199845.db2.gz YMYWZHHVGYKMPU-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP Cc1cn[nH]c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334584769 354207210 /nfs/dbraw/zinc/20/72/10/354207210.db2.gz IKHFEGOBAJISCK-ZDUSSCGKSA-N 2 1 248.374 1.682 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000344411686 354251953 /nfs/dbraw/zinc/25/19/53/354251953.db2.gz RIEIFJWDFMXIOF-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000344411686 354251955 /nfs/dbraw/zinc/25/19/55/354251955.db2.gz RIEIFJWDFMXIOF-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000344511174 354291536 /nfs/dbraw/zinc/29/15/36/354291536.db2.gz IINBRCMIBPJHGX-GXTWGEPZSA-N 2 1 238.375 1.653 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000334615297 354300965 /nfs/dbraw/zinc/30/09/65/354300965.db2.gz HPHSXXWNFHFHFA-CHWSQXEVSA-N 2 1 244.342 1.922 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000344772167 354359815 /nfs/dbraw/zinc/35/98/15/354359815.db2.gz MMWWIBIADFUOHD-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000344772167 354359818 /nfs/dbraw/zinc/35/98/18/354359818.db2.gz MMWWIBIADFUOHD-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000344772167 354359820 /nfs/dbraw/zinc/35/98/20/354359820.db2.gz MMWWIBIADFUOHD-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC000334674111 354416626 /nfs/dbraw/zinc/41/66/26/354416626.db2.gz IWLXLRXZBDQDKA-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC000334674111 354416630 /nfs/dbraw/zinc/41/66/30/354416630.db2.gz IWLXLRXZBDQDKA-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP CN1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334674111 354416640 /nfs/dbraw/zinc/41/66/40/354416640.db2.gz IWLXLRXZBDQDKA-AWEZNQCLSA-N 3 1 248.374 1.301 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203044 354609018 /nfs/dbraw/zinc/60/90/18/354609018.db2.gz GBNCQDSNXSXKMB-CQSZACIVSA-N 2 1 247.342 1.315 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203044 354609021 /nfs/dbraw/zinc/60/90/21/354609021.db2.gz GBNCQDSNXSXKMB-CQSZACIVSA-N 2 1 247.342 1.315 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203044 354609022 /nfs/dbraw/zinc/60/90/22/354609022.db2.gz GBNCQDSNXSXKMB-CQSZACIVSA-N 2 1 247.342 1.315 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203044 354609025 /nfs/dbraw/zinc/60/90/25/354609025.db2.gz GBNCQDSNXSXKMB-CQSZACIVSA-N 2 1 247.342 1.315 20 0 BDADMP CCC[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000639204287 354615999 /nfs/dbraw/zinc/61/59/99/354615999.db2.gz QIDBTGDHDJLBFW-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](CCN(C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400943895 491069090 /nfs/dbraw/zinc/06/90/90/491069090.db2.gz CDJMHCZHXONSJC-XJFOESAGSA-N 2 1 239.407 1.304 20 0 BDADMP CCOc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000346629586 354997633 /nfs/dbraw/zinc/99/76/33/354997633.db2.gz BFUZEGNSFQBDDA-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000346629586 354997638 /nfs/dbraw/zinc/99/76/38/354997638.db2.gz BFUZEGNSFQBDDA-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346685900 355011342 /nfs/dbraw/zinc/01/13/42/355011342.db2.gz QTHPLSZDBOYCKW-CHWSQXEVSA-N 3 1 227.396 1.291 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346685900 355011346 /nfs/dbraw/zinc/01/13/46/355011346.db2.gz QTHPLSZDBOYCKW-CHWSQXEVSA-N 3 1 227.396 1.291 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000346645624 355017166 /nfs/dbraw/zinc/01/71/66/355017166.db2.gz DZMNFRCXGUYGDQ-AAVRWANBSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCSC3)C2)C1 ZINC000335228629 355070746 /nfs/dbraw/zinc/07/07/46/355070746.db2.gz NVTQVRYIHWWMKJ-QWHCGFSZSA-N 2 1 240.416 1.767 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCSC3)C2)C1 ZINC000335228629 355070747 /nfs/dbraw/zinc/07/07/47/355070747.db2.gz NVTQVRYIHWWMKJ-QWHCGFSZSA-N 2 1 240.416 1.767 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCSC3)C2)C1 ZINC000335228629 355070749 /nfs/dbraw/zinc/07/07/49/355070749.db2.gz NVTQVRYIHWWMKJ-QWHCGFSZSA-N 2 1 240.416 1.767 20 0 BDADMP C1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2(C1)CCOCC2 ZINC000335182216 355079311 /nfs/dbraw/zinc/07/93/11/355079311.db2.gz SKOPCETXLMCJHQ-QWHCGFSZSA-N 2 1 238.375 1.677 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+]1C ZINC000335218947 355057965 /nfs/dbraw/zinc/05/79/65/355057965.db2.gz RLWNHFLSUAENOE-RYSNWHEDSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@H+]1C ZINC000335218947 355057968 /nfs/dbraw/zinc/05/79/68/355057968.db2.gz RLWNHFLSUAENOE-RYSNWHEDSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H](CC(N)=O)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000346745555 355090982 /nfs/dbraw/zinc/09/09/82/355090982.db2.gz GDFAJIXOMQCULF-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346842277 355134864 /nfs/dbraw/zinc/13/48/64/355134864.db2.gz IBDKRYBBXPHVNW-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346842277 355134868 /nfs/dbraw/zinc/13/48/68/355134868.db2.gz IBDKRYBBXPHVNW-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000346848397 355136774 /nfs/dbraw/zinc/13/67/74/355136774.db2.gz QJWCSYPXYYMGSP-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000346848397 355136776 /nfs/dbraw/zinc/13/67/76/355136776.db2.gz QJWCSYPXYYMGSP-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCc1ccccc1O)CC1CC[NH2+]CC1 ZINC000346973803 355209120 /nfs/dbraw/zinc/20/91/20/355209120.db2.gz IHYBVVDYFDSRRM-UHFFFAOYSA-N 2 1 248.370 1.866 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000346969085 355173910 /nfs/dbraw/zinc/17/39/10/355173910.db2.gz FAAVFCOGYDJYCG-LBPRGKRZSA-N 2 1 227.396 1.387 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346996102 355194955 /nfs/dbraw/zinc/19/49/55/355194955.db2.gz WJDWGJLQAHVVMS-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346997565 355196175 /nfs/dbraw/zinc/19/61/75/355196175.db2.gz WZDZPTOSTUOXHF-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000335259560 355199676 /nfs/dbraw/zinc/19/96/76/355199676.db2.gz XBGLBNCQRONFPH-TVQRCGJNSA-N 2 1 238.306 1.619 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000347005400 355201785 /nfs/dbraw/zinc/20/17/85/355201785.db2.gz PFIXQZHRGQTQTN-UONOGXRCSA-N 2 1 239.407 1.260 20 0 BDADMP CC[C@@H](C[N@H+](C)C1CC[NH+](CC)CC1)OC ZINC000412975269 191346767 /nfs/dbraw/zinc/34/67/67/191346767.db2.gz DZXDOFPYTWIQHZ-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP CC[C@@H](C[N@@H+](C)C1CC[NH+](CC)CC1)OC ZINC000412975269 191346770 /nfs/dbraw/zinc/34/67/70/191346770.db2.gz DZXDOFPYTWIQHZ-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP CCC[C@@H](C)[C@H](CO)[NH2+]CCn1cc[nH+]c1C ZINC000583503066 355335031 /nfs/dbraw/zinc/33/50/31/355335031.db2.gz PHPAJVJICCJFHX-YPMHNXCESA-N 2 1 239.363 1.578 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000623749933 355369127 /nfs/dbraw/zinc/36/91/27/355369127.db2.gz UMTPJENZAQATNC-KLPPZKSPSA-N 2 1 235.331 1.008 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000349854380 355496205 /nfs/dbraw/zinc/49/62/05/355496205.db2.gz OHMVNXVPRILKBR-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000414857078 191601565 /nfs/dbraw/zinc/60/15/65/191601565.db2.gz OUTYVRCUHYKLKL-WCQYABFASA-N 2 1 236.363 1.381 20 0 BDADMP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C2)cn1 ZINC000414865564 191605668 /nfs/dbraw/zinc/60/56/68/191605668.db2.gz DFHVOFHQWWINFY-CYBMUJFWSA-N 2 1 219.332 1.274 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCCO ZINC000349937129 355532044 /nfs/dbraw/zinc/53/20/44/355532044.db2.gz SDTPGRAOMYCLNP-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCCO ZINC000349937129 355532047 /nfs/dbraw/zinc/53/20/47/355532047.db2.gz SDTPGRAOMYCLNP-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP C[N@@H+](CCCCO)CC[C@@H]1CCC[NH+]1C ZINC000349922297 355528684 /nfs/dbraw/zinc/52/86/84/355528684.db2.gz QOUWRGKHPRHZGL-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP C[NH+](CCCCO)CC[C@@H]1CCC[N@@H+]1C ZINC000349922297 355528688 /nfs/dbraw/zinc/52/86/88/355528688.db2.gz QOUWRGKHPRHZGL-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP C[NH+](CCCCO)CC[C@@H]1CCC[N@H+]1C ZINC000349922297 355528691 /nfs/dbraw/zinc/52/86/91/355528691.db2.gz QOUWRGKHPRHZGL-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223288308 324683731 /nfs/dbraw/zinc/68/37/31/324683731.db2.gz VEXUQNIEEMTNRC-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+]1C ZINC000639323882 355717617 /nfs/dbraw/zinc/71/76/17/355717617.db2.gz FUMMIQCOSYOBTR-NJMOYASZSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@H+]1C ZINC000639323882 355717620 /nfs/dbraw/zinc/71/76/20/355717620.db2.gz FUMMIQCOSYOBTR-NJMOYASZSA-N 2 1 208.349 1.857 20 0 BDADMP CS[C@@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000425337488 191814217 /nfs/dbraw/zinc/81/42/17/191814217.db2.gz ADFIGHIFJXQCCN-GHMZBOCLSA-N 2 1 225.361 1.675 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000353997171 355776750 /nfs/dbraw/zinc/77/67/50/355776750.db2.gz QMPAYROBLSJJCW-VXGBXAGGSA-N 2 1 237.347 1.598 20 0 BDADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351472304 355997706 /nfs/dbraw/zinc/99/77/06/355997706.db2.gz AOZKFPBMGLWEEA-DRZSPHRISA-N 2 1 249.358 1.715 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000167103203 355958031 /nfs/dbraw/zinc/95/80/31/355958031.db2.gz ZTRSPKDZLUDMAD-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)CC1 ZINC000379473566 358501108 /nfs/dbraw/zinc/50/11/08/358501108.db2.gz VJEBJPZEQIFPQF-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000379473566 358501109 /nfs/dbraw/zinc/50/11/09/358501109.db2.gz VJEBJPZEQIFPQF-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000379473566 358501111 /nfs/dbraw/zinc/50/11/11/358501111.db2.gz VJEBJPZEQIFPQF-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420299966 192207492 /nfs/dbraw/zinc/20/74/92/192207492.db2.gz BZKXBRYBSJHIQN-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC[C@@H]1CCC[NH2+]C1 ZINC000420299966 192207494 /nfs/dbraw/zinc/20/74/94/192207494.db2.gz BZKXBRYBSJHIQN-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420300439 192206200 /nfs/dbraw/zinc/20/62/00/192206200.db2.gz HKESUZKRAJLRLP-ZDUSSCGKSA-N 2 1 244.379 1.683 20 0 BDADMP NC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420299505 192206478 /nfs/dbraw/zinc/20/64/78/192206478.db2.gz UANZHLUBCWPMHC-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420299505 192206480 /nfs/dbraw/zinc/20/64/80/192206480.db2.gz UANZHLUBCWPMHC-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP Nc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccn1 ZINC000420316405 192213122 /nfs/dbraw/zinc/21/31/22/192213122.db2.gz YCLQABWQWADEHZ-AVGNSLFASA-N 2 1 246.358 1.053 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420317316 192213350 /nfs/dbraw/zinc/21/33/50/192213350.db2.gz ZJBINLKTWZNSTO-BFHYXJOUSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420317316 192213351 /nfs/dbraw/zinc/21/33/51/192213351.db2.gz ZJBINLKTWZNSTO-BFHYXJOUSA-N 3 1 239.407 1.387 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420318308 192214576 /nfs/dbraw/zinc/21/45/76/192214576.db2.gz OKHRZPUJTQEGBO-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336114 192214848 /nfs/dbraw/zinc/21/48/48/192214848.db2.gz LHINNPMBDUALCT-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP FCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334901 192215050 /nfs/dbraw/zinc/21/50/50/192215050.db2.gz UNMGCEFZOYFNCG-VXGBXAGGSA-N 2 1 214.328 1.668 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000420358475 192218808 /nfs/dbraw/zinc/21/88/08/192218808.db2.gz JBKFXDWEPMXONR-CYBMUJFWSA-N 2 1 219.332 1.828 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000420358475 192218810 /nfs/dbraw/zinc/21/88/10/192218810.db2.gz JBKFXDWEPMXONR-CYBMUJFWSA-N 2 1 219.332 1.828 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345538 192215604 /nfs/dbraw/zinc/21/56/04/192215604.db2.gz VQNZFNSYLOFEOY-IHRRRGAJSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345538 192215605 /nfs/dbraw/zinc/21/56/05/192215605.db2.gz VQNZFNSYLOFEOY-IHRRRGAJSA-N 3 1 237.391 1.060 20 0 BDADMP CSc1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349252 192217532 /nfs/dbraw/zinc/21/75/32/192217532.db2.gz CGNOXWAILRWIJQ-LLVKDONJSA-N 2 1 240.372 1.160 20 0 BDADMP CSc1ccccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349252 192217534 /nfs/dbraw/zinc/21/75/34/192217534.db2.gz CGNOXWAILRWIJQ-LLVKDONJSA-N 2 1 240.372 1.160 20 0 BDADMP CCCCOCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420352987 192217780 /nfs/dbraw/zinc/21/77/80/192217780.db2.gz BDYJREGWPDDJLY-NSHDSACASA-N 2 1 216.369 1.766 20 0 BDADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000420353672 192218238 /nfs/dbraw/zinc/21/82/38/192218238.db2.gz NQFFEJVXKVXSLQ-AGIUHOORSA-N 2 1 228.380 1.454 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420305429 192208621 /nfs/dbraw/zinc/20/86/21/192208621.db2.gz KFTGTZBKEJZQPU-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000420305429 192208623 /nfs/dbraw/zinc/20/86/23/192208623.db2.gz KFTGTZBKEJZQPU-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP COCCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000420306770 192209731 /nfs/dbraw/zinc/20/97/31/192209731.db2.gz BGVXTGOLMWIZEQ-UHFFFAOYSA-N 2 1 228.380 1.864 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420310883 192210124 /nfs/dbraw/zinc/21/01/24/192210124.db2.gz QHBGVFNJNWOBJL-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP CCC[C@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000420310883 192210125 /nfs/dbraw/zinc/21/01/25/192210125.db2.gz QHBGVFNJNWOBJL-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]12 ZINC000420308309 192210764 /nfs/dbraw/zinc/21/07/64/192210764.db2.gz NKHOFJKRHFUSOO-ZOBORPQBSA-N 2 1 238.375 1.615 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420311976 192210882 /nfs/dbraw/zinc/21/08/82/192210882.db2.gz HKENCBHXMRQWRC-CHWSQXEVSA-N 2 1 248.374 1.589 20 0 BDADMP CC[N@@H+]1CCN(CCn2cc[nH+]c2C)[C@H](C)C1 ZINC000352666761 356400020 /nfs/dbraw/zinc/40/00/20/356400020.db2.gz IHKGYQVIPCPNEQ-GFCCVEGCSA-N 2 1 236.363 1.218 20 0 BDADMP CC[N@H+]1CCN(CCn2cc[nH+]c2C)[C@H](C)C1 ZINC000352666761 356400022 /nfs/dbraw/zinc/40/00/22/356400022.db2.gz IHKGYQVIPCPNEQ-GFCCVEGCSA-N 2 1 236.363 1.218 20 0 BDADMP CCOCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420371927 192229672 /nfs/dbraw/zinc/22/96/72/192229672.db2.gz PWWISKRHNSXEJI-GFCCVEGCSA-N 2 1 214.353 1.520 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420324256 192230576 /nfs/dbraw/zinc/23/05/76/192230576.db2.gz UWAVRTFWRIBUHO-CHWSQXEVSA-N 3 1 227.396 1.387 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420324256 192230578 /nfs/dbraw/zinc/23/05/78/192230578.db2.gz UWAVRTFWRIBUHO-CHWSQXEVSA-N 3 1 227.396 1.387 20 0 BDADMP CCC[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420355723 192220381 /nfs/dbraw/zinc/22/03/81/192220381.db2.gz FQQUDZPKYAMPKE-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCCc2ccccc21 ZINC000420356618 192220865 /nfs/dbraw/zinc/22/08/65/192220865.db2.gz RCCOURJRCBQFBS-JSGCOSHPSA-N 2 1 234.343 1.315 20 0 BDADMP FC(F)COCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361420 192221597 /nfs/dbraw/zinc/22/15/97/192221597.db2.gz GYHMLHOAWNQUNO-GFCCVEGCSA-N 2 1 248.317 1.344 20 0 BDADMP FC(F)COCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361420 192221598 /nfs/dbraw/zinc/22/15/98/192221598.db2.gz GYHMLHOAWNQUNO-GFCCVEGCSA-N 2 1 248.317 1.344 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCOC1)C1CCCCC1 ZINC000420364321 192223191 /nfs/dbraw/zinc/22/31/91/192223191.db2.gz KHCFUTUCMSYLRH-AAEUAGOBSA-N 2 1 226.364 1.520 20 0 BDADMP CC[N@H+]1CCN(CC[NH+]2CCCCC2)[C@H](C)C1 ZINC000352657621 356397809 /nfs/dbraw/zinc/39/78/09/356397809.db2.gz BDLULNYINRQGQD-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CCOCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420381871 192234528 /nfs/dbraw/zinc/23/45/28/192234528.db2.gz CUMLKTUQZWFRLT-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420381831 192235241 /nfs/dbraw/zinc/23/52/41/192235241.db2.gz ZLAYHTPGVCFREY-DMDPSCGWSA-N 2 1 242.363 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000420387051 192235512 /nfs/dbraw/zinc/23/55/12/192235512.db2.gz GGIHWRJLAWNBPY-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000420387051 192235514 /nfs/dbraw/zinc/23/55/14/192235514.db2.gz GGIHWRJLAWNBPY-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CCOCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420387389 192235823 /nfs/dbraw/zinc/23/58/23/192235823.db2.gz WBLNCRGJTSEKGX-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000420393473 192236667 /nfs/dbraw/zinc/23/66/67/192236667.db2.gz CDPGFOXIUJUZOZ-CABCVRRESA-N 2 1 247.386 1.631 20 0 BDADMP CC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000639543727 356402699 /nfs/dbraw/zinc/40/26/99/356402699.db2.gz OBPVHNJRLIYDKE-UHFFFAOYSA-N 2 1 209.293 1.102 20 0 BDADMP CC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000639543727 356402702 /nfs/dbraw/zinc/40/27/02/356402702.db2.gz OBPVHNJRLIYDKE-UHFFFAOYSA-N 2 1 209.293 1.102 20 0 BDADMP COCCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420375641 192232241 /nfs/dbraw/zinc/23/22/41/192232241.db2.gz TZSNAJXYTXQHPS-SDDRHHMPSA-N 2 1 214.353 1.389 20 0 BDADMP COCCCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420381225 192233488 /nfs/dbraw/zinc/23/34/88/192233488.db2.gz ZBICWHCIYBKPLN-JHJVBQTASA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1CCOCC1 ZINC000420377758 192233528 /nfs/dbraw/zinc/23/35/28/192233528.db2.gz WNEOCBVAWNTARN-WZRBSPASSA-N 2 1 226.364 1.389 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000639635965 356550819 /nfs/dbraw/zinc/55/08/19/356550819.db2.gz WFGREMSAOPYHHX-YPMHNXCESA-N 2 1 237.347 1.103 20 0 BDADMP CC[N@@H+](CCc1cncn1C)[C@H]1CCOC1 ZINC000639651368 356563250 /nfs/dbraw/zinc/56/32/50/356563250.db2.gz VSSHGUVRQWYTEN-LBPRGKRZSA-N 2 1 223.320 1.073 20 0 BDADMP COCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682356 356592134 /nfs/dbraw/zinc/59/21/34/356592134.db2.gz UMRPEXQXDRWESA-UHFFFAOYSA-N 2 1 235.331 1.240 20 0 BDADMP C[C@H](O)CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756520 356660810 /nfs/dbraw/zinc/66/08/10/356660810.db2.gz WNZXIKZYTKWBKN-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP Cn1cncc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756931 356663800 /nfs/dbraw/zinc/66/38/00/356663800.db2.gz AKEUXSVFNPEQRM-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP CCC[C@@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000450339547 202134841 /nfs/dbraw/zinc/13/48/41/202134841.db2.gz RDXLCBJKPYMCLB-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP Cc1nnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)[nH]1 ZINC000639754473 356656285 /nfs/dbraw/zinc/65/62/85/356656285.db2.gz AHBJQFYOLSCJBD-UHFFFAOYSA-N 2 1 249.362 1.031 20 0 BDADMP Cc1nnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)[nH]1 ZINC000639754473 356656286 /nfs/dbraw/zinc/65/62/86/356656286.db2.gz AHBJQFYOLSCJBD-UHFFFAOYSA-N 2 1 249.362 1.031 20 0 BDADMP COCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754643 356657097 /nfs/dbraw/zinc/65/70/97/356657097.db2.gz DEQWHUJGCUCEBQ-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CCCCCO)C2)CC1 ZINC000639758583 356669169 /nfs/dbraw/zinc/66/91/69/356669169.db2.gz VLAKKGPSZFLBSL-UHFFFAOYSA-N 2 1 240.391 1.567 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])o1 ZINC000423131829 192580005 /nfs/dbraw/zinc/58/00/05/192580005.db2.gz OMUDKXCQQXSAJW-IUCAKERBSA-N 2 1 225.336 1.761 20 0 BDADMP CC(C)=CC[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639765532 356695366 /nfs/dbraw/zinc/69/53/66/356695366.db2.gz IYGYWJGFCTULIY-CYBMUJFWSA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)=CC[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639765532 356695371 /nfs/dbraw/zinc/69/53/71/356695371.db2.gz IYGYWJGFCTULIY-CYBMUJFWSA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)=CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765532 356695376 /nfs/dbraw/zinc/69/53/76/356695376.db2.gz IYGYWJGFCTULIY-CYBMUJFWSA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)=CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765532 356695382 /nfs/dbraw/zinc/69/53/82/356695382.db2.gz IYGYWJGFCTULIY-CYBMUJFWSA-N 2 1 226.364 1.341 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]1[NH3+] ZINC000423144668 192586653 /nfs/dbraw/zinc/58/66/53/192586653.db2.gz ZJDCDAMNVSYKNE-JHJVBQTASA-N 2 1 227.396 1.576 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCn2ccnc2)CC1(C)C ZINC000623338624 356734636 /nfs/dbraw/zinc/73/46/36/356734636.db2.gz IXVAFBBAHJXIFG-LBPRGKRZSA-N 3 1 236.363 1.346 20 0 BDADMP CN1CC[C@H]([NH2+]CCn2ccnc2)CC1(C)C ZINC000623338624 356734639 /nfs/dbraw/zinc/73/46/39/356734639.db2.gz IXVAFBBAHJXIFG-LBPRGKRZSA-N 3 1 236.363 1.346 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000383698758 538664597 /nfs/dbraw/zinc/66/45/97/538664597.db2.gz VGLADBNNUUTJCX-KBPBESRZSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000383698758 538664599 /nfs/dbraw/zinc/66/45/99/538664599.db2.gz VGLADBNNUUTJCX-KBPBESRZSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383698758 538664601 /nfs/dbraw/zinc/66/46/01/538664601.db2.gz VGLADBNNUUTJCX-KBPBESRZSA-N 2 1 242.407 1.952 20 0 BDADMP CCc1cc(NCC[N@H+]2CCCOCC2)cc[nH+]1 ZINC000450475073 202177833 /nfs/dbraw/zinc/17/78/33/202177833.db2.gz VJLLTZLHYQIMSQ-UHFFFAOYSA-N 2 1 249.358 1.200 20 0 BDADMP CCOCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623361122 356807305 /nfs/dbraw/zinc/80/73/05/356807305.db2.gz OCRANHDHEUOCHC-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358227318 356862830 /nfs/dbraw/zinc/86/28/30/356862830.db2.gz DPHMEFPXYKMBKX-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358227318 356862835 /nfs/dbraw/zinc/86/28/35/356862835.db2.gz DPHMEFPXYKMBKX-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000423195046 192620974 /nfs/dbraw/zinc/62/09/74/192620974.db2.gz XHXBHGXIIPLBJQ-LPWJVIDDSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCCC[NH3+] ZINC000389783439 357031273 /nfs/dbraw/zinc/03/12/73/357031273.db2.gz JSTMEGMHFJWMSC-UKRRQHHQSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCC[NH3+] ZINC000389783439 357031276 /nfs/dbraw/zinc/03/12/76/357031276.db2.gz JSTMEGMHFJWMSC-UKRRQHHQSA-N 2 1 247.386 1.445 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC1(C)C ZINC000389853178 357054697 /nfs/dbraw/zinc/05/46/97/357054697.db2.gz YGXNWZXDRNUNQI-LLVKDONJSA-N 2 1 207.321 1.741 20 0 BDADMP CC(C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374420306 357160215 /nfs/dbraw/zinc/16/02/15/357160215.db2.gz LECCIDXFUONFQU-MGPQQGTHSA-N 2 1 240.391 1.826 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000393754648 357296104 /nfs/dbraw/zinc/29/61/04/357296104.db2.gz VTJNWKAZWFGUGZ-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP COC1CC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000628425274 357253009 /nfs/dbraw/zinc/25/30/09/357253009.db2.gz GDZSKEKYFSBJOV-HIFPTAJRSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000393244023 357279502 /nfs/dbraw/zinc/27/95/02/357279502.db2.gz NJBCPXSWQWYFON-FDYHWXHSSA-N 2 1 226.364 1.349 20 0 BDADMP CN(C[C@@H](O)C[N@@H+](C)C(C)(C)C)C1CC1 ZINC000394264188 357342207 /nfs/dbraw/zinc/34/22/07/357342207.db2.gz OVNIVMNTEIJIKE-LLVKDONJSA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000394264188 357342210 /nfs/dbraw/zinc/34/22/10/357342210.db2.gz OVNIVMNTEIJIKE-LLVKDONJSA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000394264188 357342214 /nfs/dbraw/zinc/34/22/14/357342214.db2.gz OVNIVMNTEIJIKE-LLVKDONJSA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C(C)(C)C)C1CC1 ZINC000394264188 357342218 /nfs/dbraw/zinc/34/22/18/357342218.db2.gz OVNIVMNTEIJIKE-LLVKDONJSA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C(C)(C)C)C1CC1 ZINC000394264188 357342220 /nfs/dbraw/zinc/34/22/20/357342220.db2.gz OVNIVMNTEIJIKE-LLVKDONJSA-N 2 1 214.353 1.172 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000394864862 357384551 /nfs/dbraw/zinc/38/45/51/357384551.db2.gz SVESRHZMWHVXPQ-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000394864862 357384555 /nfs/dbraw/zinc/38/45/55/357384555.db2.gz SVESRHZMWHVXPQ-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC000583263195 357738725 /nfs/dbraw/zinc/73/87/25/357738725.db2.gz OGMCMQMMJZGUKN-DOMZBBRYSA-N 2 1 247.386 1.623 20 0 BDADMP CC[NH+](CC)CCC[N@H+](CCO)C1CC1 ZINC000191439100 357771544 /nfs/dbraw/zinc/77/15/44/357771544.db2.gz NFVZCXZQWFLJSH-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CCO)C1CC1 ZINC000191439100 357771547 /nfs/dbraw/zinc/77/15/47/357771547.db2.gz NFVZCXZQWFLJSH-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000397898664 357792257 /nfs/dbraw/zinc/79/22/57/357792257.db2.gz RJPANCVZYBHXSD-PWSUYJOCSA-N 2 1 239.388 1.694 20 0 BDADMP C[C@@H](O)[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000583807824 357955045 /nfs/dbraw/zinc/95/50/45/357955045.db2.gz CRPSNSWLSHTVHL-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCSCC2)CC[N@@H+]1C ZINC000090720978 363594985 /nfs/dbraw/zinc/59/49/85/363594985.db2.gz ZPTWLKRRDHGITJ-PWSUYJOCSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCSCC2)CC[N@H+]1C ZINC000090720978 363594986 /nfs/dbraw/zinc/59/49/86/363594986.db2.gz ZPTWLKRRDHGITJ-PWSUYJOCSA-N 2 1 228.405 1.954 20 0 BDADMP CCC1([NH+]2CCCC2)CC[NH+](CCCO)CC1 ZINC000639987865 358027248 /nfs/dbraw/zinc/02/72/48/358027248.db2.gz JBTJMKALTPRYAK-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000217921481 134251204 /nfs/dbraw/zinc/25/12/04/134251204.db2.gz KHOTZERNNRBJNQ-GXFFZTMASA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000217921481 134251205 /nfs/dbraw/zinc/25/12/05/134251205.db2.gz KHOTZERNNRBJNQ-GXFFZTMASA-N 2 1 219.332 1.559 20 0 BDADMP COC[C@H](C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000584575577 358084066 /nfs/dbraw/zinc/08/40/66/358084066.db2.gz IIVHLAJBIIIVMD-OLZOCXBDSA-N 2 1 228.380 1.590 20 0 BDADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000584590241 358095714 /nfs/dbraw/zinc/09/57/14/358095714.db2.gz RLPMHPXBDXXGGZ-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](O)(CC)C1 ZINC000640035853 358135501 /nfs/dbraw/zinc/13/55/01/358135501.db2.gz OARWHLRMHRMYEL-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623421195 358165622 /nfs/dbraw/zinc/16/56/22/358165622.db2.gz BEEAECBAEGOJHZ-VXGBXAGGSA-N 2 1 228.380 1.466 20 0 BDADMP FC(F)(F)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000083889810 491126642 /nfs/dbraw/zinc/12/66/42/491126642.db2.gz MGCYKHZMJXESMS-SECBINFHSA-N 2 1 236.281 1.870 20 0 BDADMP C[N@@H+](CCNC(=O)C(C)(C)[NH3+])C1CCCCC1 ZINC000077388846 325376938 /nfs/dbraw/zinc/37/69/38/325376938.db2.gz MCVHZLCCDLKRLK-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000226969387 358346669 /nfs/dbraw/zinc/34/66/69/358346669.db2.gz QEDBWNVHVXBPST-SDDRHHMPSA-N 2 1 234.347 1.597 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000226969387 358346670 /nfs/dbraw/zinc/34/66/70/358346670.db2.gz QEDBWNVHVXBPST-SDDRHHMPSA-N 2 1 234.347 1.597 20 0 BDADMP Cc1ncsc1CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228180774 358369816 /nfs/dbraw/zinc/36/98/16/358369816.db2.gz IDNHWHDNKHABDE-KOLCDFICSA-N 2 1 239.388 1.806 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)nc1 ZINC000228337137 358373844 /nfs/dbraw/zinc/37/38/44/358373844.db2.gz BKKGLUXPCKBNQH-VXGBXAGGSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)nc1 ZINC000228337137 358373850 /nfs/dbraw/zinc/37/38/50/358373850.db2.gz BKKGLUXPCKBNQH-VXGBXAGGSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])cc1F ZINC000227742113 358362698 /nfs/dbraw/zinc/36/26/98/358362698.db2.gz DZMAJBJWMZBSEO-UHFFFAOYSA-N 2 1 210.296 1.915 20 0 BDADMP CCCCC[N@@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000042551775 358526657 /nfs/dbraw/zinc/52/66/57/358526657.db2.gz GFSQHYNKFFFLET-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(C)CCOCC2)CC1 ZINC000130588305 358632529 /nfs/dbraw/zinc/63/25/29/358632529.db2.gz UVAPPKKZGXTCOU-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000049313103 358681253 /nfs/dbraw/zinc/68/12/53/358681253.db2.gz IJPVRHAVVJWGLU-SECBINFHSA-N 2 1 240.269 1.379 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000049313103 358681258 /nfs/dbraw/zinc/68/12/58/358681258.db2.gz IJPVRHAVVJWGLU-SECBINFHSA-N 2 1 240.269 1.379 20 0 BDADMP C[NH2+][C@H]1CCCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000214039302 358753238 /nfs/dbraw/zinc/75/32/38/358753238.db2.gz JPEAYWVERHJDJD-LBPRGKRZSA-N 2 1 249.358 1.582 20 0 BDADMP COC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000050068526 358712523 /nfs/dbraw/zinc/71/25/23/358712523.db2.gz JCEHCDLDUXEOAI-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP COC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000050068526 358712525 /nfs/dbraw/zinc/71/25/25/358712525.db2.gz JCEHCDLDUXEOAI-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP COC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000050068526 358712527 /nfs/dbraw/zinc/71/25/27/358712527.db2.gz JCEHCDLDUXEOAI-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP C[NH+](C)C1(C[NH2+]CC2(C)COC2)CCCC1 ZINC000132964275 358741057 /nfs/dbraw/zinc/74/10/57/358741057.db2.gz IDXGESSVOVQXHT-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCCC1 ZINC000052338868 358779933 /nfs/dbraw/zinc/77/99/33/358779933.db2.gz ZYEJYVCLNXIOLD-ZIAGYGMSSA-N 2 1 242.407 1.857 20 0 BDADMP OCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134886655 358809701 /nfs/dbraw/zinc/80/97/01/358809701.db2.gz FEQFXSJEBYBJMS-JSGCOSHPSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134886655 358809705 /nfs/dbraw/zinc/80/97/05/358809705.db2.gz FEQFXSJEBYBJMS-JSGCOSHPSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134886655 358809707 /nfs/dbraw/zinc/80/97/07/358809707.db2.gz FEQFXSJEBYBJMS-JSGCOSHPSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134886655 358809709 /nfs/dbraw/zinc/80/97/09/358809709.db2.gz FEQFXSJEBYBJMS-JSGCOSHPSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000578338030 366528030 /nfs/dbraw/zinc/52/80/30/366528030.db2.gz ZQMQISAPNDTFBR-UPJWGTAASA-N 3 1 225.380 1.236 20 0 BDADMP FC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000308857016 491139132 /nfs/dbraw/zinc/13/91/32/491139132.db2.gz RUIUQWDPGPZDAS-QWRGUYRKSA-N 2 1 212.312 1.705 20 0 BDADMP FC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000308857016 491139133 /nfs/dbraw/zinc/13/91/33/491139133.db2.gz RUIUQWDPGPZDAS-QWRGUYRKSA-N 2 1 212.312 1.705 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000247070590 359192819 /nfs/dbraw/zinc/19/28/19/359192819.db2.gz OGRLEHAZHAIGFI-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000246678259 359157290 /nfs/dbraw/zinc/15/72/90/359157290.db2.gz GCZIDCWGIBDUCF-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000423392751 192764204 /nfs/dbraw/zinc/76/42/04/192764204.db2.gz LZUOEESMCKDPCL-GMXVVIOVSA-N 2 1 236.363 1.552 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCCF)CC1(C)C ZINC000623453485 359451775 /nfs/dbraw/zinc/45/17/75/359451775.db2.gz RAKAWVOEHQHVQC-SNVBAGLBSA-N 2 1 202.317 1.808 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423561033 192812547 /nfs/dbraw/zinc/81/25/47/192812547.db2.gz PMFUZUXILWIALK-AAEUAGOBSA-N 2 1 222.332 1.942 20 0 BDADMP C[NH+]1CCC(NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000044535166 359707966 /nfs/dbraw/zinc/70/79/66/359707966.db2.gz CPJLASQHADVAHK-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000578355141 366537265 /nfs/dbraw/zinc/53/72/65/366537265.db2.gz ZCJROPXSZAEPJW-KOLCDFICSA-N 2 1 248.330 1.084 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224003175 491145929 /nfs/dbraw/zinc/14/59/29/491145929.db2.gz WNXPUIUVPOEQGQ-NOOOWODRSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224003175 491145930 /nfs/dbraw/zinc/14/59/30/491145930.db2.gz WNXPUIUVPOEQGQ-NOOOWODRSA-N 2 1 214.353 1.076 20 0 BDADMP Cc1cccn2c(C[N@H+](C)CCC[NH3+])cnc12 ZINC000578769454 366645469 /nfs/dbraw/zinc/64/54/69/366645469.db2.gz RTVAISGSUVQXDI-UHFFFAOYSA-N 2 1 232.331 1.423 20 0 BDADMP Cc1cccn2c(C[N@@H+](C)CCC[NH3+])cnc12 ZINC000578769454 366645475 /nfs/dbraw/zinc/64/54/75/366645475.db2.gz RTVAISGSUVQXDI-UHFFFAOYSA-N 2 1 232.331 1.423 20 0 BDADMP COCc1cccc(C[NH2+]CCC[NH+](C)C)c1 ZINC000088552646 359965589 /nfs/dbraw/zinc/96/55/89/359965589.db2.gz COCUXIBUJPAMLN-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000089147733 359994256 /nfs/dbraw/zinc/99/42/56/359994256.db2.gz IPFOZEKAYJUQQA-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)nn2C)C1 ZINC000089182769 359997884 /nfs/dbraw/zinc/99/78/84/359997884.db2.gz REQGBZSPHDOOKC-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)nn2C)C1 ZINC000089182769 359997889 /nfs/dbraw/zinc/99/78/89/359997889.db2.gz REQGBZSPHDOOKC-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP C1C[C@H]2C[C@H]([NH2+]C3CCOCC3)CC[N@H+]2C1 ZINC000090714579 360085355 /nfs/dbraw/zinc/08/53/55/360085355.db2.gz BVZBHRHPPHGKLX-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP CC[NH+](CC)C[C@H]1CCN(Cc2cnc[nH]2)C1 ZINC000093693247 360272364 /nfs/dbraw/zinc/27/23/64/360272364.db2.gz CXYGJXHMPMEPQF-GFCCVEGCSA-N 2 1 236.363 1.573 20 0 BDADMP CCCCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874362 360286199 /nfs/dbraw/zinc/28/61/99/360286199.db2.gz HJGSCTNHHFSJDK-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP CCCCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874362 360286201 /nfs/dbraw/zinc/28/62/01/360286201.db2.gz HJGSCTNHHFSJDK-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP C[N@@H+]1CCN(Cc2cnc[nH]2)C2(CCCCC2)C1 ZINC000093872007 360286283 /nfs/dbraw/zinc/28/62/83/360286283.db2.gz VAOXLNGXFOZWQV-UHFFFAOYSA-N 2 1 248.374 1.860 20 0 BDADMP C[N@H+]1CCN(Cc2cnc[nH]2)C2(CCCCC2)C1 ZINC000093872007 360286285 /nfs/dbraw/zinc/28/62/85/360286285.db2.gz VAOXLNGXFOZWQV-UHFFFAOYSA-N 2 1 248.374 1.860 20 0 BDADMP C[C@@H]([NH2+]Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000414860480 200772732 /nfs/dbraw/zinc/77/27/32/200772732.db2.gz VQEYZCBQQKBWJW-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000629405433 361052463 /nfs/dbraw/zinc/05/24/63/361052463.db2.gz AQJYEUPNUSCTFK-LPEHRKFASA-N 2 1 200.351 1.222 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](COC)C1CC1 ZINC000629526469 361128218 /nfs/dbraw/zinc/12/82/18/361128218.db2.gz VPPWURAUNRJFLG-QJPTWQEYSA-N 2 1 212.337 1.142 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000629530679 361145810 /nfs/dbraw/zinc/14/58/10/361145810.db2.gz NHXYJVDIIDJGRA-QWHCGFSZSA-N 2 1 226.364 1.472 20 0 BDADMP CCO[C@@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000629532051 361151198 /nfs/dbraw/zinc/15/11/98/361151198.db2.gz JLMVABYKSKQOGN-STQMWFEESA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000629532051 361151205 /nfs/dbraw/zinc/15/12/05/361151205.db2.gz JLMVABYKSKQOGN-STQMWFEESA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H](CC[NH3+])NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000579006278 366694468 /nfs/dbraw/zinc/69/44/68/366694468.db2.gz XVQVKRMBOQMIDB-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1nccn1C ZINC000622045351 370679908 /nfs/dbraw/zinc/67/99/08/370679908.db2.gz OHXHOJZSAUCPAP-VHSXEESVSA-N 2 1 210.325 1.198 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000191824260 361370550 /nfs/dbraw/zinc/37/05/50/361370550.db2.gz XHESZVVKEPGWCP-ZYHUDNBSSA-N 2 1 212.337 1.095 20 0 BDADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000429107857 201067320 /nfs/dbraw/zinc/06/73/20/201067320.db2.gz RTAOGYBIOFWPFD-ZDUSSCGKSA-N 2 1 249.358 1.144 20 0 BDADMP CCOC1CC([NH2+]C2CC[NH+](C)CC2)C1 ZINC000162840557 361367121 /nfs/dbraw/zinc/36/71/21/361367121.db2.gz XSFSOQSQUJBZBX-UHFFFAOYSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429147771 201074099 /nfs/dbraw/zinc/07/40/99/201074099.db2.gz BIYJUROKJPAZLQ-AAEUAGOBSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429147771 201074101 /nfs/dbraw/zinc/07/41/01/201074101.db2.gz BIYJUROKJPAZLQ-AAEUAGOBSA-N 2 1 237.347 1.427 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOC ZINC000429244801 201083310 /nfs/dbraw/zinc/08/33/10/201083310.db2.gz HSCOQRBACKTABN-UHFFFAOYSA-N 2 1 239.363 1.804 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOC ZINC000429244801 201083313 /nfs/dbraw/zinc/08/33/13/201083313.db2.gz HSCOQRBACKTABN-UHFFFAOYSA-N 2 1 239.363 1.804 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C1CC1 ZINC000629539308 361404586 /nfs/dbraw/zinc/40/45/86/361404586.db2.gz ZXRKFYAJBFMZCO-ZMJPVWNMSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@H]([NH2+]CCOCCC[NH3+])c1cscn1 ZINC000629540511 361414208 /nfs/dbraw/zinc/41/42/08/361414208.db2.gz VHPOLYWZCCTLSO-VIFPVBQESA-N 2 1 229.349 1.159 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629544710 361423166 /nfs/dbraw/zinc/42/31/66/361423166.db2.gz LYULJVVGRUQFDI-LOWDOPEQSA-N 2 1 240.391 1.919 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C[C@H]1OC ZINC000629546705 361428871 /nfs/dbraw/zinc/42/88/71/361428871.db2.gz XCDJOWQBNZAUIM-UMSGYPCISA-N 2 1 240.391 1.920 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCC2 ZINC000629546884 361429237 /nfs/dbraw/zinc/42/92/37/361429237.db2.gz YNTJAFMUWGNQGQ-RNJOBUHISA-N 2 1 238.375 1.674 20 0 BDADMP CC[C@@H]([NH2+]CCN(C)CC(F)F)[C@@H]1CCC[NH2+]1 ZINC000629554928 361436779 /nfs/dbraw/zinc/43/67/79/361436779.db2.gz OTYNIBLDAKMKNU-MNOVXSKESA-N 2 1 249.349 1.304 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629553720 361439572 /nfs/dbraw/zinc/43/95/72/361439572.db2.gz XFEAQJNZPUDREV-AXFHLTTASA-N 2 1 232.318 1.819 20 0 BDADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000629550635 361443298 /nfs/dbraw/zinc/44/32/98/361443298.db2.gz OWONWNZLUWUNOU-MXWKQRLJSA-N 2 1 230.302 1.858 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000629551474 361443988 /nfs/dbraw/zinc/44/39/88/361443988.db2.gz UECOTXCTSUZOLA-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000629551474 361443994 /nfs/dbraw/zinc/44/39/94/361443994.db2.gz UECOTXCTSUZOLA-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C[NH2+]1 ZINC000629542391 361419820 /nfs/dbraw/zinc/41/98/20/361419820.db2.gz YNEXSQLLVGUJCN-XVSSEFHLSA-N 3 1 225.380 1.234 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000629569394 361461612 /nfs/dbraw/zinc/46/16/12/361461612.db2.gz BQMMVBOXQGRUIS-LBPRGKRZSA-N 2 1 237.347 1.310 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccnc(C)c1 ZINC000629572523 361463779 /nfs/dbraw/zinc/46/37/79/361463779.db2.gz VUTASEPTSSTHIK-UHFFFAOYSA-N 2 1 237.347 1.058 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000629572415 361463892 /nfs/dbraw/zinc/46/38/92/361463892.db2.gz SENKAPNFJMLXKY-MCIONIFRSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+](C)CCOCC[NH3+] ZINC000629578838 361465100 /nfs/dbraw/zinc/46/51/00/361465100.db2.gz VKLYFDKSEUFOLW-NSHDSACASA-N 2 1 223.320 1.050 20 0 BDADMP CCc1ccccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629578827 361465121 /nfs/dbraw/zinc/46/51/21/361465121.db2.gz VBABAHKIYIJXGT-UHFFFAOYSA-N 2 1 236.359 1.656 20 0 BDADMP CO[C@H](C[N@@H+](C)CCOCC[NH3+])C1CCCC1 ZINC000629581201 361471627 /nfs/dbraw/zinc/47/16/27/361471627.db2.gz RHAYYCRHZQCGEL-CYBMUJFWSA-N 2 1 244.379 1.099 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593216 361485494 /nfs/dbraw/zinc/48/54/94/361485494.db2.gz ITGCTSFYSLNRGJ-ZDEQEGDKSA-N 2 1 208.349 1.574 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562481 361456484 /nfs/dbraw/zinc/45/64/84/361456484.db2.gz AKSUAVIKLTVEKC-RKDXNWHRSA-N 2 1 224.270 1.854 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1C ZINC000629566255 361457471 /nfs/dbraw/zinc/45/74/71/361457471.db2.gz IRQSWHOIZBQDTH-UHFFFAOYSA-N 2 1 236.359 1.663 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn[nH]c1 ZINC000381612596 361495908 /nfs/dbraw/zinc/49/59/08/361495908.db2.gz VHGXJZYJJSRZSR-UHFFFAOYSA-N 2 1 219.292 1.095 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629655802 361560219 /nfs/dbraw/zinc/56/02/19/361560219.db2.gz YOWHOLUHOVILTO-ZJUUUORDSA-N 2 1 200.351 1.305 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccncc1C ZINC000629648160 361539451 /nfs/dbraw/zinc/53/94/51/361539451.db2.gz QCBDMQAJRMZWQU-ZDUSSCGKSA-N 2 1 221.348 1.997 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccn(C)c1 ZINC000629648341 361540784 /nfs/dbraw/zinc/54/07/84/361540784.db2.gz SUDTWMAVTJBJQK-GFCCVEGCSA-N 2 1 209.337 1.488 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000629648337 361540982 /nfs/dbraw/zinc/54/09/82/361540982.db2.gz STTJXWZZULCKNU-CYBMUJFWSA-N 2 1 221.348 1.853 20 0 BDADMP C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H](C)[NH3+] ZINC000629649056 361543077 /nfs/dbraw/zinc/54/30/77/361543077.db2.gz GNYOCHDYZFVCRE-WDEREUQCSA-N 2 1 232.327 1.788 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000629660471 361566349 /nfs/dbraw/zinc/56/63/49/361566349.db2.gz USDZIJYKAIWQLD-VOAKCMCISA-N 3 1 225.380 1.105 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCCC1 ZINC000629650014 361546675 /nfs/dbraw/zinc/54/66/75/361546675.db2.gz OHNRRSRVBHESTQ-JSGCOSHPSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H](C)C1(F)F ZINC000629650192 361547680 /nfs/dbraw/zinc/54/76/80/361547680.db2.gz QLDARUHHKUWQQU-DTORHVGOSA-N 2 1 220.307 1.947 20 0 BDADMP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H](C)C1(F)F ZINC000629650192 361547683 /nfs/dbraw/zinc/54/76/83/361547683.db2.gz QLDARUHHKUWQQU-DTORHVGOSA-N 2 1 220.307 1.947 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000629652169 361549831 /nfs/dbraw/zinc/54/98/31/361549831.db2.gz XIPYMGUOWLAXEZ-HUUCEWRRSA-N 2 1 247.386 1.989 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccn(C)c1 ZINC000629652183 361550339 /nfs/dbraw/zinc/55/03/39/361550339.db2.gz XKOFVEDURXWLAQ-ZDUSSCGKSA-N 2 1 223.364 1.830 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000629652452 361551105 /nfs/dbraw/zinc/55/11/05/361551105.db2.gz BSLYVTLOMQVEDM-LBPRGKRZSA-N 2 1 207.321 1.463 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629652941 361551672 /nfs/dbraw/zinc/55/16/72/361551672.db2.gz FSTUPUMFNQBORP-ZDUSSCGKSA-N 2 1 224.348 1.536 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629668706 361588884 /nfs/dbraw/zinc/58/88/84/361588884.db2.gz JEFSNBXWYFEHQI-BFHYXJOUSA-N 2 1 240.391 1.454 20 0 BDADMP CC[C@@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000153730782 201247677 /nfs/dbraw/zinc/24/76/77/201247677.db2.gz HPJDMHYVFBPBOM-OLZOCXBDSA-N 2 1 230.396 1.979 20 0 BDADMP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000434671578 201231280 /nfs/dbraw/zinc/23/12/80/201231280.db2.gz IMCNOUKNDVXQMA-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000434764247 201237242 /nfs/dbraw/zinc/23/72/42/201237242.db2.gz IHPPVYXLIVMQBF-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000434764247 201237244 /nfs/dbraw/zinc/23/72/44/201237244.db2.gz IHPPVYXLIVMQBF-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@@H+](CC1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435396082 201267342 /nfs/dbraw/zinc/26/73/42/201267342.db2.gz WNLHISLRGODYBJ-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc21 ZINC000132085528 181342263 /nfs/dbraw/zinc/34/22/63/181342263.db2.gz BIWBCXLRUHKBDH-FBDPFYNOSA-N 2 1 245.370 1.991 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCN(C)c1ccccc1 ZINC000435875383 201292137 /nfs/dbraw/zinc/29/21/37/201292137.db2.gz RWMSQKKFCNJVHW-UHFFFAOYSA-N 2 1 235.375 1.664 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000437589855 201358957 /nfs/dbraw/zinc/35/89/57/201358957.db2.gz LBNRVCKJASMIDI-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC[C@H]1CCOC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000437589855 201358961 /nfs/dbraw/zinc/35/89/61/201358961.db2.gz LBNRVCKJASMIDI-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC[C@H]1CCOC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000437589855 201358964 /nfs/dbraw/zinc/35/89/64/201358964.db2.gz LBNRVCKJASMIDI-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCOC2)CCN1C ZINC000438105833 201390958 /nfs/dbraw/zinc/39/09/58/201390958.db2.gz PEFHJSHXFNIHSO-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCOC2)CC[N@@H+]1C ZINC000438105833 201390961 /nfs/dbraw/zinc/39/09/61/201390961.db2.gz PEFHJSHXFNIHSO-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCOC2)CC[N@H+]1C ZINC000438105833 201390964 /nfs/dbraw/zinc/39/09/64/201390964.db2.gz PEFHJSHXFNIHSO-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCOC2)CC[NH+]1C ZINC000438105833 201390968 /nfs/dbraw/zinc/39/09/68/201390968.db2.gz PEFHJSHXFNIHSO-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCOC2)CC[NH+]1C ZINC000438105833 201390971 /nfs/dbraw/zinc/39/09/71/201390971.db2.gz PEFHJSHXFNIHSO-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CCc1nc(N[C@H]2CC[NH2+]C23CCC3)cc(C)[nH+]1 ZINC000630524592 364210564 /nfs/dbraw/zinc/21/05/64/364210564.db2.gz PPXNWYIRYAEFBR-NSHDSACASA-N 2 1 246.358 1.466 20 0 BDADMP CC[NH+](CC)Cc1cn(CC(C)(C)C[NH3+])nn1 ZINC000630592421 364307427 /nfs/dbraw/zinc/30/74/27/364307427.db2.gz PPQXTAAYEUVURS-UHFFFAOYSA-N 2 1 239.367 1.105 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399034815 364737235 /nfs/dbraw/zinc/73/72/35/364737235.db2.gz OAHIQJICFPGSMV-WDEREUQCSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccccc1 ZINC000573379414 364816552 /nfs/dbraw/zinc/81/65/52/364816552.db2.gz GKVVDTLXYJPHQT-ZDUSSCGKSA-N 2 1 222.332 1.089 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccccc1 ZINC000573379414 364816556 /nfs/dbraw/zinc/81/65/56/364816556.db2.gz GKVVDTLXYJPHQT-ZDUSSCGKSA-N 2 1 222.332 1.089 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000328376897 364841500 /nfs/dbraw/zinc/84/15/00/364841500.db2.gz UFSYIUORQXFZLU-RFQIPJPRSA-N 2 1 238.375 1.221 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000573570874 364864292 /nfs/dbraw/zinc/86/42/92/364864292.db2.gz NGGRZGOCPKHKIK-RYUDHWBXSA-N 2 1 246.420 1.030 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCC2)[C@@H](C)C1 ZINC000248496856 541429931 /nfs/dbraw/zinc/42/99/31/541429931.db2.gz QXZJSBAKRHSORI-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+]CCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000036732161 181380139 /nfs/dbraw/zinc/38/01/39/181380139.db2.gz FTTVVYULJWWQGA-CYBMUJFWSA-N 2 1 226.364 1.759 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000574188352 365006889 /nfs/dbraw/zinc/00/68/89/365006889.db2.gz BBJVXDOILGNKQP-TZMCWYRMSA-N 3 1 239.407 1.306 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000034492677 181381185 /nfs/dbraw/zinc/38/11/85/181381185.db2.gz UVORGVYHGZVQCX-LBPRGKRZSA-N 2 1 205.305 1.567 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000093232462 181398902 /nfs/dbraw/zinc/39/89/02/181398902.db2.gz KHSCZBYSPAZYPZ-AWEZNQCLSA-N 2 1 234.343 1.451 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@H](C)CC[NH2+]2)n1 ZINC000574876324 365165313 /nfs/dbraw/zinc/16/53/13/365165313.db2.gz DEEPPGPRZVFHKM-BBBLOLIVSA-N 2 1 238.335 1.281 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc(N(C)C)n1 ZINC000443502039 193022100 /nfs/dbraw/zinc/02/21/00/193022100.db2.gz QNQUOYZULFPZCW-WDEREUQCSA-N 2 1 249.362 1.071 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000379855685 365320176 /nfs/dbraw/zinc/32/01/76/365320176.db2.gz BYIWUNWEWSNLMF-PWSUYJOCSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000379855685 365320183 /nfs/dbraw/zinc/32/01/83/365320183.db2.gz BYIWUNWEWSNLMF-PWSUYJOCSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C1CC1 ZINC000379855685 365320190 /nfs/dbraw/zinc/32/01/90/365320190.db2.gz BYIWUNWEWSNLMF-PWSUYJOCSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000379855685 365320196 /nfs/dbraw/zinc/32/01/96/365320196.db2.gz BYIWUNWEWSNLMF-PWSUYJOCSA-N 2 1 214.353 1.029 20 0 BDADMP CCOC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000579822542 367024209 /nfs/dbraw/zinc/02/42/09/367024209.db2.gz JPJRBANBZLWYMY-NWDGAFQWSA-N 2 1 240.347 1.108 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@@H](O)CN(C)CC ZINC000381090976 367350342 /nfs/dbraw/zinc/35/03/42/367350342.db2.gz VCWPMAWRHJOMDV-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000381090976 367350348 /nfs/dbraw/zinc/35/03/48/367350348.db2.gz VCWPMAWRHJOMDV-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000381090976 367350351 /nfs/dbraw/zinc/35/03/51/367350351.db2.gz VCWPMAWRHJOMDV-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000381090976 367350355 /nfs/dbraw/zinc/35/03/55/367350355.db2.gz VCWPMAWRHJOMDV-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000381090976 367350357 /nfs/dbraw/zinc/35/03/57/367350357.db2.gz VCWPMAWRHJOMDV-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](CC(C)C)C1CC1 ZINC000381094469 367350669 /nfs/dbraw/zinc/35/06/69/367350669.db2.gz WCSZFXWDXQRABS-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](CC(C)C)C1CC1 ZINC000381094469 367350674 /nfs/dbraw/zinc/35/06/74/367350674.db2.gz WCSZFXWDXQRABS-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC(C)C)C1CC1 ZINC000381094469 367350678 /nfs/dbraw/zinc/35/06/78/367350678.db2.gz WCSZFXWDXQRABS-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC(C)C)C1CC1 ZINC000381094469 367350681 /nfs/dbraw/zinc/35/06/81/367350681.db2.gz WCSZFXWDXQRABS-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC(C)C)C1CC1 ZINC000381094469 367350686 /nfs/dbraw/zinc/35/06/86/367350686.db2.gz WCSZFXWDXQRABS-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP Cn1cncc1CCC[N@@H+](C)Cc1cnccn1 ZINC000581377792 367408729 /nfs/dbraw/zinc/40/87/29/367408729.db2.gz PCORRNITLPWJGG-UHFFFAOYSA-N 2 1 245.330 1.275 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cnccn1 ZINC000581377792 367408739 /nfs/dbraw/zinc/40/87/39/367408739.db2.gz PCORRNITLPWJGG-UHFFFAOYSA-N 2 1 245.330 1.275 20 0 BDADMP CCSCCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381237860 367369330 /nfs/dbraw/zinc/36/93/30/367369330.db2.gz LFAIWBANGGXAMQ-GFCCVEGCSA-N 2 1 246.420 1.174 20 0 BDADMP CCSCCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381237860 367369334 /nfs/dbraw/zinc/36/93/34/367369334.db2.gz LFAIWBANGGXAMQ-GFCCVEGCSA-N 2 1 246.420 1.174 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000381908708 367469599 /nfs/dbraw/zinc/46/95/99/367469599.db2.gz AIJVORZDXGFITB-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCC1 ZINC000382771691 367555271 /nfs/dbraw/zinc/55/52/71/367555271.db2.gz LZDAGZOCGUKSNV-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]CC1 ZINC000383279822 367611215 /nfs/dbraw/zinc/61/12/15/367611215.db2.gz IJBYSJRBHCTZJV-BFHYXJOUSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH+](C)CC1 ZINC000399134461 367646168 /nfs/dbraw/zinc/64/61/68/367646168.db2.gz PTEXZKSQKCBLTE-YRGRVCCFSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000384566458 367701071 /nfs/dbraw/zinc/70/10/71/367701071.db2.gz ILPPGGHIPBEFDW-JFGNBEQYSA-N 2 1 212.337 1.236 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000383939414 367660653 /nfs/dbraw/zinc/66/06/53/367660653.db2.gz KZXGOLXDKKPFTI-OAHLLOKOSA-N 2 1 248.370 1.874 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000384728024 367721771 /nfs/dbraw/zinc/72/17/71/367721771.db2.gz ITVWMNZSRZONAY-IJLUTSLNSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000384728024 367721779 /nfs/dbraw/zinc/72/17/79/367721779.db2.gz ITVWMNZSRZONAY-IJLUTSLNSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000384728025 367722106 /nfs/dbraw/zinc/72/21/06/367722106.db2.gz ITVWMNZSRZONAY-UTUOFQBUSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000384728025 367722111 /nfs/dbraw/zinc/72/21/11/367722111.db2.gz ITVWMNZSRZONAY-UTUOFQBUSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC000399176051 367851408 /nfs/dbraw/zinc/85/14/08/367851408.db2.gz JUMAUHPUENDMIB-RFGFWPKPSA-N 2 1 237.391 1.343 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000386049325 367904916 /nfs/dbraw/zinc/90/49/16/367904916.db2.gz VCQIMHKEIWPKIW-JHJVBQTASA-N 2 1 228.380 1.778 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386387134 367960213 /nfs/dbraw/zinc/96/02/13/367960213.db2.gz FCFKSADYZMOJRN-MRVWCRGKSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(C)O)[C@H]1CCCC[NH2+]1 ZINC000386622711 368003494 /nfs/dbraw/zinc/00/34/94/368003494.db2.gz YKKGHNQVRYDKTJ-GHMZBOCLSA-N 2 1 214.353 1.268 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000566423163 326044440 /nfs/dbraw/zinc/04/44/40/326044440.db2.gz BZAKABKPWMNPFX-GRYCIOLGSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000111320307 368856912 /nfs/dbraw/zinc/85/69/12/368856912.db2.gz RMVQYHBINMRXKQ-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP OC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000087459861 368894466 /nfs/dbraw/zinc/89/44/66/368894466.db2.gz ZTFWISQTTQEWAV-GFCCVEGCSA-N 2 1 238.375 1.365 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623808719 368953843 /nfs/dbraw/zinc/95/38/43/368953843.db2.gz ALDXNUPTUNRCHO-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCCCO1 ZINC000631827596 368992800 /nfs/dbraw/zinc/99/28/00/368992800.db2.gz RCVNEMUSOVQKAI-QWRGUYRKSA-N 2 1 214.353 1.519 20 0 BDADMP C[NH+]1CCC(NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623656177 368992803 /nfs/dbraw/zinc/99/28/03/368992803.db2.gz OQEXLSZGIQGPHZ-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CN1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623656177 368992804 /nfs/dbraw/zinc/99/28/04/368992804.db2.gz OQEXLSZGIQGPHZ-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CN1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623656177 368992805 /nfs/dbraw/zinc/99/28/05/368992805.db2.gz OQEXLSZGIQGPHZ-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836835 369084016 /nfs/dbraw/zinc/08/40/16/369084016.db2.gz HQZXUEVWTXVJOM-NWDGAFQWSA-N 2 1 219.332 1.417 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](C)O)C[C@@H]1C ZINC000459356912 203267200 /nfs/dbraw/zinc/26/72/00/203267200.db2.gz LNZMECABCNOBID-SDDRHHMPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CCc1cncn1C ZINC000459356411 203268788 /nfs/dbraw/zinc/26/87/88/203268788.db2.gz BWOFNKDQDGQFHB-LLVKDONJSA-N 2 1 223.320 1.073 20 0 BDADMP CC[C@@H]1COCCN1CCc1cncn1C ZINC000459356411 203268792 /nfs/dbraw/zinc/26/87/92/203268792.db2.gz BWOFNKDQDGQFHB-LLVKDONJSA-N 2 1 223.320 1.073 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1C[C@H]1C ZINC000401670116 369368645 /nfs/dbraw/zinc/36/86/45/369368645.db2.gz KUOIOOHNEFNFDB-SCVCMEIPSA-N 2 1 207.321 1.597 20 0 BDADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000459557019 203302459 /nfs/dbraw/zinc/30/24/59/203302459.db2.gz KVBFRPZECWPISF-GFCCVEGCSA-N 2 1 238.375 1.221 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000459630790 203323098 /nfs/dbraw/zinc/32/30/98/203323098.db2.gz JAHBVNPYXCGZLS-FQUUOJAGSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459779879 203364692 /nfs/dbraw/zinc/36/46/92/203364692.db2.gz LPVDOCLZKRNAAV-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000165327274 203382751 /nfs/dbraw/zinc/38/27/51/203382751.db2.gz LHBHRESAHWALFA-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000165269309 203383147 /nfs/dbraw/zinc/38/31/47/203383147.db2.gz MYJCSSNUNBXRTF-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000459784630 203368584 /nfs/dbraw/zinc/36/85/84/203368584.db2.gz AHFGUQBRRAHFRS-WOPDTQHZSA-N 2 1 226.389 1.660 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459784630 203368587 /nfs/dbraw/zinc/36/85/87/203368587.db2.gz AHFGUQBRRAHFRS-WOPDTQHZSA-N 2 1 226.389 1.660 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459784630 203368590 /nfs/dbraw/zinc/36/85/90/203368590.db2.gz AHFGUQBRRAHFRS-WOPDTQHZSA-N 2 1 226.389 1.660 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C)C1CCCC1 ZINC000631862777 369583870 /nfs/dbraw/zinc/58/38/70/369583870.db2.gz SOPGTKWPPAPIQI-WCFLWFBJSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C)C1CCCC1 ZINC000631862777 369583872 /nfs/dbraw/zinc/58/38/72/369583872.db2.gz SOPGTKWPPAPIQI-WCFLWFBJSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000314228151 326294853 /nfs/dbraw/zinc/29/48/53/326294853.db2.gz WSDGKTSGZFEXOY-RYUDHWBXSA-N 2 1 237.347 1.367 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)oc1C ZINC000252863972 370137179 /nfs/dbraw/zinc/13/71/79/370137179.db2.gz OXPGAPWMRFQOPS-AVGNSLFASA-N 2 1 249.358 1.851 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)oc1C ZINC000252863972 370137187 /nfs/dbraw/zinc/13/71/87/370137187.db2.gz OXPGAPWMRFQOPS-AVGNSLFASA-N 2 1 249.358 1.851 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCc1ccncc1)C2 ZINC000621784317 370536127 /nfs/dbraw/zinc/53/61/27/370536127.db2.gz NBSKITPRTZEXAD-GJZGRUSLSA-N 2 1 245.370 1.827 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000621784317 370536134 /nfs/dbraw/zinc/53/61/34/370536134.db2.gz NBSKITPRTZEXAD-GJZGRUSLSA-N 2 1 245.370 1.827 20 0 BDADMP CCn1cc(CC[NH2+][C@](C)(C[NH3+])C(C)C)cn1 ZINC000621775022 370521966 /nfs/dbraw/zinc/52/19/66/370521966.db2.gz CWUIPNGALKXCFY-CYBMUJFWSA-N 2 1 238.379 1.409 20 0 BDADMP CCn1cc(CC[NH2+][C@](C)(C[NH3+])C2CC2)cn1 ZINC000621775263 370522952 /nfs/dbraw/zinc/52/29/52/370522952.db2.gz JZXYRCIEARZRHA-CYBMUJFWSA-N 2 1 236.363 1.163 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000621775727 370523364 /nfs/dbraw/zinc/52/33/64/370523364.db2.gz XNKTVWBKUAYEQH-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000621775727 370523370 /nfs/dbraw/zinc/52/33/70/370523370.db2.gz XNKTVWBKUAYEQH-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccn1 ZINC000621775514 370523434 /nfs/dbraw/zinc/52/34/34/370523434.db2.gz QQILKKUYXBEFQG-UHFFFAOYSA-N 2 1 219.332 1.703 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784480 370535217 /nfs/dbraw/zinc/53/52/17/370535217.db2.gz PNJUQRKJEWUDRJ-RDBSUJKOSA-N 3 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784480 370535222 /nfs/dbraw/zinc/53/52/22/370535222.db2.gz PNJUQRKJEWUDRJ-RDBSUJKOSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784480 370535225 /nfs/dbraw/zinc/53/52/25/370535225.db2.gz PNJUQRKJEWUDRJ-RDBSUJKOSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC1CC=CC1)C2 ZINC000621784504 370535401 /nfs/dbraw/zinc/53/54/01/370535401.db2.gz PWFDQAXUOMBWNB-STQMWFEESA-N 2 1 206.333 1.766 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000631890338 371005309 /nfs/dbraw/zinc/00/53/09/371005309.db2.gz OVQZZJZXNOCPCV-MCIONIFRSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000631890338 371005313 /nfs/dbraw/zinc/00/53/13/371005313.db2.gz OVQZZJZXNOCPCV-MCIONIFRSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H]1C[C@@H](NCc2ccc[nH]c2=O)C[N@@H+]1C1CC1 ZINC000623777951 371089201 /nfs/dbraw/zinc/08/92/01/371089201.db2.gz YGAMIDPUOIYWGR-ZYHUDNBSSA-N 2 1 247.342 1.502 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccnc(C)c2)C1 ZINC000391332378 371286043 /nfs/dbraw/zinc/28/60/43/371286043.db2.gz VBHSTLNZSQYZTA-ZDUSSCGKSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000391332378 371286048 /nfs/dbraw/zinc/28/60/48/371286048.db2.gz VBHSTLNZSQYZTA-ZDUSSCGKSA-N 2 1 219.332 1.431 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000624100811 371306818 /nfs/dbraw/zinc/30/68/18/371306818.db2.gz JOZOLLDQHBAEDZ-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000624100811 371306822 /nfs/dbraw/zinc/30/68/22/371306822.db2.gz JOZOLLDQHBAEDZ-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000624100811 371306827 /nfs/dbraw/zinc/30/68/27/371306827.db2.gz JOZOLLDQHBAEDZ-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN2C)[C@H](C)C1 ZINC000624100811 371306830 /nfs/dbraw/zinc/30/68/30/371306830.db2.gz JOZOLLDQHBAEDZ-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN2C)[C@H](C)C1 ZINC000624100811 371306836 /nfs/dbraw/zinc/30/68/36/371306836.db2.gz JOZOLLDQHBAEDZ-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000624122888 371323464 /nfs/dbraw/zinc/32/34/64/371323464.db2.gz ASKPIBKKCJFIQX-HSBZDZAISA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000624123524 371324999 /nfs/dbraw/zinc/32/49/99/371324999.db2.gz NPUUGENICQTFPM-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@@H+]1C ZINC000624258376 371444855 /nfs/dbraw/zinc/44/48/55/371444855.db2.gz IHSJNJQTUUDRAN-JQWIXIFHSA-N 2 1 235.331 1.360 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@H+]1C ZINC000624258376 371444859 /nfs/dbraw/zinc/44/48/59/371444859.db2.gz IHSJNJQTUUDRAN-JQWIXIFHSA-N 2 1 235.331 1.360 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000624300603 371468037 /nfs/dbraw/zinc/46/80/37/371468037.db2.gz LZGQFRPPAVMFOM-QSLWVIQJSA-N 2 1 238.375 1.626 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000624309734 371472618 /nfs/dbraw/zinc/47/26/18/371472618.db2.gz WBQHUEFPGDIOBM-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]C1)C1CCSCC1 ZINC000229220143 372128352 /nfs/dbraw/zinc/12/83/52/372128352.db2.gz OQFAABUCMWDGLS-NSHDSACASA-N 2 1 214.378 1.471 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820501 372593467 /nfs/dbraw/zinc/59/34/67/372593467.db2.gz BBWWORVPCJPKGN-NWDGAFQWSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000631821115 372595873 /nfs/dbraw/zinc/59/58/73/372595873.db2.gz PGQVHRMIVMVSBS-WDEREUQCSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000631822039 372597274 /nfs/dbraw/zinc/59/72/74/372597274.db2.gz RCKGMUIHXMMRKK-GHMZBOCLSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000631827670 372607886 /nfs/dbraw/zinc/60/78/86/372607886.db2.gz UHOLKMFNFISUIP-BFHYXJOUSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631859368 372657900 /nfs/dbraw/zinc/65/79/00/372657900.db2.gz NEJZSEIFODMLRB-MNOVXSKESA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631859368 372657906 /nfs/dbraw/zinc/65/79/06/372657906.db2.gz NEJZSEIFODMLRB-MNOVXSKESA-N 2 1 200.326 1.223 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@H+](CCOCC2CC2)C1 ZINC000631833882 372618459 /nfs/dbraw/zinc/61/84/59/372618459.db2.gz KWKKBEVTJSMAEP-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@@H+](CCOCC2CC2)C1 ZINC000631833882 372618466 /nfs/dbraw/zinc/61/84/66/372618466.db2.gz KWKKBEVTJSMAEP-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)COCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835181 372622852 /nfs/dbraw/zinc/62/28/52/372622852.db2.gz OBUABQIZQMATHY-CYBMUJFWSA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)COCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835181 372622860 /nfs/dbraw/zinc/62/28/60/372622860.db2.gz OBUABQIZQMATHY-CYBMUJFWSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631836721 372625908 /nfs/dbraw/zinc/62/59/08/372625908.db2.gz FTKHCKMVVAAXRH-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000631838325 372632289 /nfs/dbraw/zinc/63/22/89/372632289.db2.gz MBTKSTBJAZVMSZ-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000631838325 372632292 /nfs/dbraw/zinc/63/22/92/372632292.db2.gz MBTKSTBJAZVMSZ-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000631826340 372605870 /nfs/dbraw/zinc/60/58/70/372605870.db2.gz LHEAFVGYZAHRFM-QNWHQSFQSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000631826340 372605875 /nfs/dbraw/zinc/60/58/75/372605875.db2.gz LHEAFVGYZAHRFM-QNWHQSFQSA-N 2 1 224.348 1.095 20 0 BDADMP CCO[C@H](C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)C1CC1 ZINC000631867615 372669641 /nfs/dbraw/zinc/66/96/41/372669641.db2.gz XPRPXWBJJCAJGJ-MCIONIFRSA-N 2 1 238.375 1.533 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631883899 372679305 /nfs/dbraw/zinc/67/93/05/372679305.db2.gz DAWMGYCYFGWGLD-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP COCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890081 372683967 /nfs/dbraw/zinc/68/39/67/372683967.db2.gz LZXDMOWLJNOQSO-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP COCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890081 372683971 /nfs/dbraw/zinc/68/39/71/372683971.db2.gz LZXDMOWLJNOQSO-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP Cn1cc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000631888881 372684183 /nfs/dbraw/zinc/68/41/83/372684183.db2.gz CRMWDLCVQMZUCA-KGLIPLIRSA-N 2 1 248.374 1.037 20 0 BDADMP CC(C)n1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414958469 205793728 /nfs/dbraw/zinc/79/37/28/205793728.db2.gz OWSKCXLJJZXLMP-YPMHNXCESA-N 2 1 236.363 1.552 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccncc2)C1 ZINC000459730597 206014262 /nfs/dbraw/zinc/01/42/62/206014262.db2.gz KTWLQWXCFWRJSY-AWEZNQCLSA-N 2 1 233.359 1.903 20 0 BDADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000165112913 206139273 /nfs/dbraw/zinc/13/92/73/206139273.db2.gz HGOGWEQAJWXORT-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC)C1 ZINC000304707763 169078706 /nfs/dbraw/zinc/07/87/06/169078706.db2.gz LCOZQQKEEJOERJ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC)C1 ZINC000304707763 169078708 /nfs/dbraw/zinc/07/87/08/169078708.db2.gz LCOZQQKEEJOERJ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CC)C1 ZINC000304707763 169078710 /nfs/dbraw/zinc/07/87/10/169078710.db2.gz LCOZQQKEEJOERJ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@](C)([NH3+])CCC ZINC000226407791 169121074 /nfs/dbraw/zinc/12/10/74/169121074.db2.gz PMRCSVCVMDDBMB-CYBMUJFWSA-N 2 1 243.395 1.352 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000300360310 169122191 /nfs/dbraw/zinc/12/21/91/169122191.db2.gz WVUABACHWGUDGS-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000300360310 169122193 /nfs/dbraw/zinc/12/21/93/169122193.db2.gz WVUABACHWGUDGS-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]CC[C@@H]1CCOC1 ZINC000310020593 169122442 /nfs/dbraw/zinc/12/24/42/169122442.db2.gz NCJCPXLZEHRATG-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]CC[C@@H]1CCOC1 ZINC000310020593 169122444 /nfs/dbraw/zinc/12/24/44/169122444.db2.gz NCJCPXLZEHRATG-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000336738996 169124116 /nfs/dbraw/zinc/12/41/16/169124116.db2.gz OQZSKHNNYMERLD-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000336738996 169124118 /nfs/dbraw/zinc/12/41/18/169124118.db2.gz OQZSKHNNYMERLD-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336738996 169124119 /nfs/dbraw/zinc/12/41/19/169124119.db2.gz OQZSKHNNYMERLD-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](C)CC1 ZINC000353075695 169127395 /nfs/dbraw/zinc/12/73/95/169127395.db2.gz YRZYXIGSQDEACG-ZDUSSCGKSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCC[C@@H](C)O)CC1 ZINC000336722924 169186866 /nfs/dbraw/zinc/18/68/66/169186866.db2.gz TXULEIRIAFBMGL-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCCCO)CC1 ZINC000303987899 169187071 /nfs/dbraw/zinc/18/70/71/169187071.db2.gz JOMXPOYEXHDHSV-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP CCC[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000020360519 169188863 /nfs/dbraw/zinc/18/88/63/169188863.db2.gz BVGVBMQRLSVEBX-UHFFFAOYSA-N 2 1 235.375 1.989 20 0 BDADMP CCC[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000341898837 169189965 /nfs/dbraw/zinc/18/99/65/169189965.db2.gz UQNGRWHXWDTIPQ-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000341898837 169189968 /nfs/dbraw/zinc/18/99/68/169189968.db2.gz UQNGRWHXWDTIPQ-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+]([C@H]3CCOC3)C2)n1 ZINC000336553997 183328245 /nfs/dbraw/zinc/32/82/45/183328245.db2.gz YZHYVBONUNSFDT-MNOVXSKESA-N 2 1 221.304 1.378 20 0 BDADMP CCC[N@H+](Cc1cnn(C)c1)C1CC[NH2+]CC1 ZINC000037539295 169178312 /nfs/dbraw/zinc/17/83/12/169178312.db2.gz RVMDJZVKIJSTHG-UHFFFAOYSA-N 2 1 236.363 1.384 20 0 BDADMP CCC[N@@H+](Cc1cnn(C)c1)C1CC[NH2+]CC1 ZINC000037539295 169178313 /nfs/dbraw/zinc/17/83/13/169178313.db2.gz RVMDJZVKIJSTHG-UHFFFAOYSA-N 2 1 236.363 1.384 20 0 BDADMP CCCNC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000052041114 169211998 /nfs/dbraw/zinc/21/19/98/169211998.db2.gz SPKQUFJBMBRKAC-LBPRGKRZSA-N 2 1 240.395 1.775 20 0 BDADMP c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000250248404 183395357 /nfs/dbraw/zinc/39/53/57/183395357.db2.gz NHUGJRHRYWUHQN-GJZGRUSLSA-N 2 1 245.370 1.841 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000222584859 134332736 /nfs/dbraw/zinc/33/27/36/134332736.db2.gz XTXMTVKUYCCXRQ-IGQOVBAYSA-N 2 1 242.407 1.713 20 0 BDADMP CC[NH+]1CCC([N@H+](CCCOC)C2CC2)CC1 ZINC000367013884 535459062 /nfs/dbraw/zinc/45/90/62/535459062.db2.gz RONWUYHDLOPTQZ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@@H+](CCCOC)C2CC2)CC1 ZINC000367013884 535459066 /nfs/dbraw/zinc/45/90/66/535459066.db2.gz RONWUYHDLOPTQZ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000224683577 134349561 /nfs/dbraw/zinc/34/95/61/134349561.db2.gz IZVDAFGDQHNSTL-ZFDZMSFRSA-N 2 1 226.364 1.626 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000224683577 134349562 /nfs/dbraw/zinc/34/95/62/134349562.db2.gz IZVDAFGDQHNSTL-ZFDZMSFRSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000307661862 532962464 /nfs/dbraw/zinc/96/24/64/532962464.db2.gz VKKQNTABBKSMGE-ZIAGYGMSSA-N 2 1 247.386 1.540 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@@H+]1C ZINC000252733470 383822598 /nfs/dbraw/zinc/82/25/98/383822598.db2.gz ZNAWAEVKCQSJIF-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1C ZINC000252733470 383822606 /nfs/dbraw/zinc/82/26/06/383822606.db2.gz ZNAWAEVKCQSJIF-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@]1(C[NH2+]Cc2cncs2)CCC[NH2+]C1 ZINC000131566726 383836879 /nfs/dbraw/zinc/83/68/79/383836879.db2.gz WJWHFQAJAHMGLC-LLVKDONJSA-N 2 1 225.361 1.622 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000087646410 383857778 /nfs/dbraw/zinc/85/77/78/383857778.db2.gz TYDXRZGMZXCJLW-QWRGUYRKSA-N 2 1 208.305 1.930 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313090357 383866461 /nfs/dbraw/zinc/86/64/61/383866461.db2.gz ACQLIBKQBBEQLB-RFGFWPKPSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH2+]C1 ZINC000036776470 383909115 /nfs/dbraw/zinc/90/91/15/383909115.db2.gz NNRXMLHVZNPTBM-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH2+]C1 ZINC000036776470 383909121 /nfs/dbraw/zinc/90/91/21/383909121.db2.gz NNRXMLHVZNPTBM-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCOC1)C2 ZINC000643611306 383927395 /nfs/dbraw/zinc/92/73/95/383927395.db2.gz JFOYBJKGKQLLBJ-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCOC1)C2 ZINC000643611306 383927403 /nfs/dbraw/zinc/92/74/03/383927403.db2.gz JFOYBJKGKQLLBJ-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCOC1)C2 ZINC000643611306 383927414 /nfs/dbraw/zinc/92/74/14/383927414.db2.gz JFOYBJKGKQLLBJ-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)[C@H](C)O1 ZINC000401732466 383883142 /nfs/dbraw/zinc/88/31/42/383883142.db2.gz PEBQQQCWMKXWDV-RNWYCLNJSA-N 2 1 212.337 1.140 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401736625 383886813 /nfs/dbraw/zinc/88/68/13/383886813.db2.gz YWXWNSFDNIGFIR-MWLCHTKSSA-N 2 1 225.361 1.304 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224613591 383974556 /nfs/dbraw/zinc/97/45/56/383974556.db2.gz PGVRWERXTDXRAT-NEPJUHHUSA-N 2 1 228.405 1.800 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCCNC1)C1CC[NH+](C)CC1 ZINC000643545310 384012042 /nfs/dbraw/zinc/01/20/42/384012042.db2.gz YBJMMTYPBHGQTH-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2(O)CCCC2)CC1 ZINC000336514471 384044861 /nfs/dbraw/zinc/04/48/61/384044861.db2.gz JXNKRKFQCWWNAW-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2ccccc2)C1 ZINC000235438781 384230185 /nfs/dbraw/zinc/23/01/85/384230185.db2.gz AAUAJOPHONLHPR-AWEZNQCLSA-N 2 1 218.344 1.900 20 0 BDADMP COC1(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)CCCC1 ZINC000319229998 384213941 /nfs/dbraw/zinc/21/39/41/384213941.db2.gz VBNXAYLFBAIROM-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@H](C)C1 ZINC000173647387 384244684 /nfs/dbraw/zinc/24/46/84/384244684.db2.gz ZTPMKOLFQFEDGW-MNOVXSKESA-N 2 1 214.353 1.077 20 0 BDADMP COC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000173792066 384263004 /nfs/dbraw/zinc/26/30/04/384263004.db2.gz VTMUJJHESIKAFA-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000173792066 384263009 /nfs/dbraw/zinc/26/30/09/384263009.db2.gz VTMUJJHESIKAFA-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173792066 384263019 /nfs/dbraw/zinc/26/30/19/384263019.db2.gz VTMUJJHESIKAFA-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000564471716 384267653 /nfs/dbraw/zinc/26/76/53/384267653.db2.gz ZIYRQHGMQRAMQM-NWDGAFQWSA-N 2 1 235.331 1.450 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000228538486 384276000 /nfs/dbraw/zinc/27/60/00/384276000.db2.gz WKQWHMVRYXFAFN-HBNTYKKESA-N 2 1 237.372 1.702 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000228538486 384276003 /nfs/dbraw/zinc/27/60/03/384276003.db2.gz WKQWHMVRYXFAFN-HBNTYKKESA-N 2 1 237.372 1.702 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(N)nc1 ZINC000647506084 384289065 /nfs/dbraw/zinc/28/90/65/384289065.db2.gz DIAKKZKTGYBWBQ-LBPRGKRZSA-N 2 1 236.363 1.299 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N)nc1 ZINC000647506084 384289073 /nfs/dbraw/zinc/28/90/73/384289073.db2.gz DIAKKZKTGYBWBQ-LBPRGKRZSA-N 2 1 236.363 1.299 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000083425047 384302687 /nfs/dbraw/zinc/30/26/87/384302687.db2.gz KSTOXNUJLLXLNZ-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP Cc1cc[nH+]c(N(C)C2CC[NH2+]CC2)c1 ZINC000095070645 384337361 /nfs/dbraw/zinc/33/73/61/384337361.db2.gz LHWWIZBUOTUULX-UHFFFAOYSA-N 2 1 205.305 1.578 20 0 BDADMP CC1(C)CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000069793380 384354287 /nfs/dbraw/zinc/35/42/87/384354287.db2.gz ZEDGKPYCRDLGFS-UHFFFAOYSA-N 2 1 225.380 1.014 20 0 BDADMP CO[C@H](CC(C)C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000642705283 384414547 /nfs/dbraw/zinc/41/45/47/384414547.db2.gz ILTLNBINXXMAFR-HZSPNIEDSA-N 2 1 240.391 1.541 20 0 BDADMP CO[C@H](CC(C)C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000642705283 384414551 /nfs/dbraw/zinc/41/45/51/384414551.db2.gz ILTLNBINXXMAFR-HZSPNIEDSA-N 2 1 240.391 1.541 20 0 BDADMP CO[C@H](CC(C)C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000642705283 384414560 /nfs/dbraw/zinc/41/45/60/384414560.db2.gz ILTLNBINXXMAFR-HZSPNIEDSA-N 2 1 240.391 1.541 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])on1 ZINC000084221123 384378196 /nfs/dbraw/zinc/37/81/96/384378196.db2.gz HHGRKWCNOMCUQE-ONGXEEELSA-N 2 1 209.293 1.200 20 0 BDADMP C[N@@H+](Cc1ccc(N)nc1)C[C@@H]1CCC[NH+](C)C1 ZINC000647513954 384428537 /nfs/dbraw/zinc/42/85/37/384428537.db2.gz XWJUHYSZZWSUEP-CYBMUJFWSA-N 2 1 248.374 1.268 20 0 BDADMP C[N@H+](Cc1ccc(N)nc1)C[C@@H]1CCC[NH+](C)C1 ZINC000647513954 384428544 /nfs/dbraw/zinc/42/85/44/384428544.db2.gz XWJUHYSZZWSUEP-CYBMUJFWSA-N 2 1 248.374 1.268 20 0 BDADMP C[NH+](Cc1ccc(N)nc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000647513954 384428547 /nfs/dbraw/zinc/42/85/47/384428547.db2.gz XWJUHYSZZWSUEP-CYBMUJFWSA-N 2 1 248.374 1.268 20 0 BDADMP C[NH+](Cc1ccc(N)nc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000647513954 384428552 /nfs/dbraw/zinc/42/85/52/384428552.db2.gz XWJUHYSZZWSUEP-CYBMUJFWSA-N 2 1 248.374 1.268 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000276205715 384437350 /nfs/dbraw/zinc/43/73/50/384437350.db2.gz AEUHDKKBFTXLDK-PWSUYJOCSA-N 2 1 223.320 1.120 20 0 BDADMP CCc1nocc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000561042885 384460092 /nfs/dbraw/zinc/46/00/92/384460092.db2.gz AIPQFIOQBSGSSL-LLVKDONJSA-N 2 1 237.347 1.668 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOC)[C@H](C)C1 ZINC000175720425 384476375 /nfs/dbraw/zinc/47/63/75/384476375.db2.gz DLSVTZIRRIHKAE-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOC)[C@H](C)C1 ZINC000175720425 384476378 /nfs/dbraw/zinc/47/63/78/384476378.db2.gz DLSVTZIRRIHKAE-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOC)[C@H](C)C1 ZINC000175720425 384476381 /nfs/dbraw/zinc/47/63/81/384476381.db2.gz DLSVTZIRRIHKAE-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP COCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785162 384508010 /nfs/dbraw/zinc/50/80/10/384508010.db2.gz ISHDKPSJLSTFEK-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP C[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1F ZINC000037713316 384513051 /nfs/dbraw/zinc/51/30/51/384513051.db2.gz IRMBWYFOSZJKNR-MRVPVSSYSA-N 2 1 214.259 1.964 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CO[C@H](C)C1 ZINC000647179690 384532200 /nfs/dbraw/zinc/53/22/00/384532200.db2.gz LCVPUFTYSKABJM-NQBHXWOUSA-N 2 1 237.347 1.595 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000162041803 384562836 /nfs/dbraw/zinc/56/28/36/384562836.db2.gz SZAZNQCWROCLLF-MRVPVSSYSA-N 2 1 243.148 1.886 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151149681 384545396 /nfs/dbraw/zinc/54/53/96/384545396.db2.gz HDXXEGMXZACHTO-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccncc1 ZINC000019905720 384556596 /nfs/dbraw/zinc/55/65/96/384556596.db2.gz QMPOMPIYBTYJFR-UHFFFAOYSA-N 2 1 221.348 1.759 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000643057851 384562265 /nfs/dbraw/zinc/56/22/65/384562265.db2.gz MBQBDQYMKXSEKG-ZDUSSCGKSA-N 2 1 242.407 1.717 20 0 BDADMP CC(C)[NH2+]C1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000569609224 384539304 /nfs/dbraw/zinc/53/93/04/384539304.db2.gz VJTRVCWQKSTOMA-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789868 384568254 /nfs/dbraw/zinc/56/82/54/384568254.db2.gz VTQRXDVEGFMFTA-VXGBXAGGSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789868 384568261 /nfs/dbraw/zinc/56/82/61/384568261.db2.gz VTQRXDVEGFMFTA-VXGBXAGGSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccncc1 ZINC000020121028 384576954 /nfs/dbraw/zinc/57/69/54/384576954.db2.gz RQATVKOIEMYSSI-LLVKDONJSA-N 2 1 219.332 1.826 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000162139694 384578405 /nfs/dbraw/zinc/57/84/05/384578405.db2.gz FNDGMSMFWIXBRJ-GFCCVEGCSA-N 2 1 223.320 1.242 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)O1 ZINC000304615873 384606803 /nfs/dbraw/zinc/60/68/03/384606803.db2.gz SIDDUPKRVZDWBZ-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](C)CC1 ZINC000336650639 384612598 /nfs/dbraw/zinc/61/25/98/384612598.db2.gz DUBSSVNRLCQDFV-LBPRGKRZSA-N 2 1 227.396 1.399 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334624980 384617748 /nfs/dbraw/zinc/61/77/48/384617748.db2.gz SEEGXRPWHTWIFS-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334624980 384617751 /nfs/dbraw/zinc/61/77/51/384617751.db2.gz SEEGXRPWHTWIFS-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334624980 384617755 /nfs/dbraw/zinc/61/77/55/384617755.db2.gz SEEGXRPWHTWIFS-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC3CCC3)C2)nn1 ZINC000643080237 384619763 /nfs/dbraw/zinc/61/97/63/384619763.db2.gz KZCHNLIPMCBHKK-ZDUSSCGKSA-N 2 1 249.362 1.174 20 0 BDADMP CCSCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000336653175 384627971 /nfs/dbraw/zinc/62/79/71/384627971.db2.gz LKKJRRNTFVOOJC-JTQLQIEISA-N 2 1 204.383 1.703 20 0 BDADMP FC(F)C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703922 384677708 /nfs/dbraw/zinc/67/77/08/384677708.db2.gz AAWPTJYCABCKSW-UHFFFAOYSA-N 2 1 218.291 1.716 20 0 BDADMP FC(F)C[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703922 384677710 /nfs/dbraw/zinc/67/77/10/384677710.db2.gz AAWPTJYCABCKSW-UHFFFAOYSA-N 2 1 218.291 1.716 20 0 BDADMP Cc1cnccc1NC(=O)N1CC[NH+](C)CC1 ZINC000271115170 384726655 /nfs/dbraw/zinc/72/66/55/384726655.db2.gz HKZMQOHPWUPAKQ-UHFFFAOYSA-N 2 1 234.303 1.169 20 0 BDADMP Cn1cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cn1 ZINC000051919538 384701957 /nfs/dbraw/zinc/70/19/57/384701957.db2.gz UJOQRUCIUPUNCD-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000647546231 384729803 /nfs/dbraw/zinc/72/98/03/384729803.db2.gz GEWQWGFMUPTGCZ-IGQOVBAYSA-N 3 1 237.391 1.106 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546160 384730282 /nfs/dbraw/zinc/73/02/82/384730282.db2.gz BVJQFDNQDXTROZ-AAVRWANBSA-N 3 1 239.407 1.338 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccnc2)C1 ZINC000173897847 384732259 /nfs/dbraw/zinc/73/22/59/384732259.db2.gz FYDAUNCWVFYDEE-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000173897847 384732265 /nfs/dbraw/zinc/73/22/65/384732265.db2.gz FYDAUNCWVFYDEE-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000173897847 384732271 /nfs/dbraw/zinc/73/22/71/384732271.db2.gz FYDAUNCWVFYDEE-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP FC1(F)CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000259007122 384735912 /nfs/dbraw/zinc/73/59/12/384735912.db2.gz XJJDGWDWBVESQN-JTQLQIEISA-N 2 1 218.291 1.717 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)nc1 ZINC000334856737 384746056 /nfs/dbraw/zinc/74/60/56/384746056.db2.gz KDNMLYYEYRXEPM-DGCLKSJQSA-N 2 1 219.332 1.478 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000647550199 384746464 /nfs/dbraw/zinc/74/64/64/384746464.db2.gz FMCYYLXIQNKVGC-CHWSQXEVSA-N 2 1 242.407 1.763 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547990 384750580 /nfs/dbraw/zinc/75/05/80/384750580.db2.gz QJUBRCGVHQUSTI-XDQVBPFNSA-N 3 1 239.407 1.339 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547991 384751522 /nfs/dbraw/zinc/75/15/22/384751522.db2.gz QJUBRCGVHQUSTI-XUXIUFHCSA-N 3 1 239.407 1.339 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000309973285 384754406 /nfs/dbraw/zinc/75/44/06/384754406.db2.gz OZOZBQDMHFRDRQ-OAHLLOKOSA-N 2 1 248.370 1.874 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000223563136 384758660 /nfs/dbraw/zinc/75/86/60/384758660.db2.gz JJMNVTOQGJEKTI-MWLCHTKSSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(O)cc(F)c1 ZINC000223563136 384758665 /nfs/dbraw/zinc/75/86/65/384758665.db2.gz JJMNVTOQGJEKTI-MWLCHTKSSA-N 2 1 238.306 1.700 20 0 BDADMP FC1CCC(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000647553266 384767401 /nfs/dbraw/zinc/76/74/01/384767401.db2.gz NPLWSIQMNIZIHP-MCIGGMRASA-N 2 1 214.328 1.856 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(C)C ZINC000361816285 384820423 /nfs/dbraw/zinc/82/04/23/384820423.db2.gz XKEAPAPPRGEQJS-IGQOVBAYSA-N 2 1 242.407 1.976 20 0 BDADMP CC(C)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310089023 384829515 /nfs/dbraw/zinc/82/95/15/384829515.db2.gz IIAPPNQYVFFQHF-JSGCOSHPSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310089023 384829519 /nfs/dbraw/zinc/82/95/19/384829519.db2.gz IIAPPNQYVFFQHF-JSGCOSHPSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310089023 384829523 /nfs/dbraw/zinc/82/95/23/384829523.db2.gz IIAPPNQYVFFQHF-JSGCOSHPSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310089023 384829528 /nfs/dbraw/zinc/82/95/28/384829528.db2.gz IIAPPNQYVFFQHF-JSGCOSHPSA-N 2 1 240.391 1.419 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000310012550 384783287 /nfs/dbraw/zinc/78/32/87/384783287.db2.gz JEUCCRJXAVOAAX-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP CO[C@@H](C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000308529708 384784994 /nfs/dbraw/zinc/78/49/94/384784994.db2.gz RKJGNJAEQMTKLU-JTQLQIEISA-N 2 1 200.326 1.095 20 0 BDADMP C[NH+]1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000335600578 384794292 /nfs/dbraw/zinc/79/42/92/384794292.db2.gz XADFEKYOOKQELO-UHFFFAOYSA-N 2 1 218.291 1.716 20 0 BDADMP Cc1noc([C@H](C)N(C)CCc2c[nH+]cn2C)n1 ZINC000518211178 384797957 /nfs/dbraw/zinc/79/79/57/384797957.db2.gz CQSAJDJBVYYZPC-VIFPVBQESA-N 2 1 249.318 1.347 20 0 BDADMP FC(F)OCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000398271961 384879491 /nfs/dbraw/zinc/87/94/91/384879491.db2.gz GNJKFTHSMFNBJX-UHFFFAOYSA-N 2 1 248.317 1.832 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000310106001 384841482 /nfs/dbraw/zinc/84/14/82/384841482.db2.gz ALMMEZIOIBDKDT-LLVKDONJSA-N 2 1 240.322 1.874 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000310106001 384841489 /nfs/dbraw/zinc/84/14/89/384841489.db2.gz ALMMEZIOIBDKDT-LLVKDONJSA-N 2 1 240.322 1.874 20 0 BDADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340203824 384955212 /nfs/dbraw/zinc/95/52/12/384955212.db2.gz XQMVGLFANCUMMN-YUELXQCFSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340203824 384955216 /nfs/dbraw/zinc/95/52/16/384955216.db2.gz XQMVGLFANCUMMN-YUELXQCFSA-N 2 1 248.370 1.792 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)CCOC ZINC000127655666 384911549 /nfs/dbraw/zinc/91/15/49/384911549.db2.gz VNYUZJMUVXPBAP-RYUDHWBXSA-N 2 1 216.369 1.731 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251354767 384915744 /nfs/dbraw/zinc/91/57/44/384915744.db2.gz CGECBUXDRCIOCS-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP CCCn1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000310260351 384930662 /nfs/dbraw/zinc/93/06/62/384930662.db2.gz QIWIOKLKCQRGPT-LBPRGKRZSA-N 2 1 238.379 1.580 20 0 BDADMP C[NH2+]CCC[N@H+](CCOC)Cc1ccccc1 ZINC000307337818 384989761 /nfs/dbraw/zinc/98/97/61/384989761.db2.gz SEHJOIAICDNAKM-UHFFFAOYSA-N 2 1 236.359 1.745 20 0 BDADMP C[NH2+]CCC[N@@H+](CCOC)Cc1ccccc1 ZINC000307337818 384989766 /nfs/dbraw/zinc/98/97/66/384989766.db2.gz SEHJOIAICDNAKM-UHFFFAOYSA-N 2 1 236.359 1.745 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+](C)CC1 ZINC000360244656 384997073 /nfs/dbraw/zinc/99/70/73/384997073.db2.gz DVGWNLGLOVXFQN-GFCCVEGCSA-N 2 1 233.359 1.696 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397281 385006579 /nfs/dbraw/zinc/00/65/79/385006579.db2.gz DTOJTHXRXBZCFB-WCQYABFASA-N 2 1 243.395 1.350 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399643 385009192 /nfs/dbraw/zinc/00/91/92/385009192.db2.gz JFMWSKZWXFSPBK-GXFFZTMASA-N 2 1 241.379 1.103 20 0 BDADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]CC1CCOCC1)C2 ZINC000364122144 385014550 /nfs/dbraw/zinc/01/45/50/385014550.db2.gz AOPZCGMJFUZHMI-GFCCVEGCSA-N 2 1 235.331 1.214 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000404472525 385015684 /nfs/dbraw/zinc/01/56/84/385015684.db2.gz SIYWXXOEJHEMNF-GMTAPVOTSA-N 2 1 239.388 1.948 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000404472525 385015688 /nfs/dbraw/zinc/01/56/88/385015688.db2.gz SIYWXXOEJHEMNF-GMTAPVOTSA-N 2 1 239.388 1.948 20 0 BDADMP CCSCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000130007710 385017759 /nfs/dbraw/zinc/01/77/59/385017759.db2.gz UYALTSQUKJDBFK-NSHDSACASA-N 2 1 216.394 1.943 20 0 BDADMP C[C@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCCOC1 ZINC000336322418 385052660 /nfs/dbraw/zinc/05/26/60/385052660.db2.gz UWHIQTMJRNQMFK-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH+](C)C1(C[NH2+][C@H]2CCSC2)CCCC1 ZINC000105838450 385057645 /nfs/dbraw/zinc/05/76/45/385057645.db2.gz AGMNDATYYICVQT-NSHDSACASA-N 2 1 228.405 1.956 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000306535359 385058111 /nfs/dbraw/zinc/05/81/11/385058111.db2.gz JVGQAPFWAOISCP-WDEREUQCSA-N 2 1 214.378 1.564 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000340458297 385064297 /nfs/dbraw/zinc/06/42/97/385064297.db2.gz FRTKVSBCXGONLH-HBNTYKKESA-N 2 1 202.317 1.807 20 0 BDADMP C[N@H+](Cc1cc(F)cc(F)c1)C1CC([NH3+])C1 ZINC000336233512 385064801 /nfs/dbraw/zinc/06/48/01/385064801.db2.gz YAAIDALDJRMVFQ-UHFFFAOYSA-N 2 1 226.270 1.886 20 0 BDADMP C[N@@H+](Cc1cc(F)cc(F)c1)C1CC([NH3+])C1 ZINC000336233512 385064805 /nfs/dbraw/zinc/06/48/05/385064805.db2.gz YAAIDALDJRMVFQ-UHFFFAOYSA-N 2 1 226.270 1.886 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000340458296 385065444 /nfs/dbraw/zinc/06/54/44/385065444.db2.gz FRTKVSBCXGONLH-GARJFASQSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000310473596 385077822 /nfs/dbraw/zinc/07/78/22/385077822.db2.gz BGKRDPOBPOWCPF-CYBMUJFWSA-N 3 1 241.423 1.968 20 0 BDADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)sn1 ZINC000404514014 385025594 /nfs/dbraw/zinc/02/55/94/385025594.db2.gz TXAVGPUBYLMFGX-UHFFFAOYSA-N 2 1 236.344 1.517 20 0 BDADMP CC[C@@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000644665961 385083014 /nfs/dbraw/zinc/08/30/14/385083014.db2.gz YOPNKPKQNJXPAT-GFCCVEGCSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310403645 385044844 /nfs/dbraw/zinc/04/48/44/385044844.db2.gz LFZDCBIZEWOIRL-MCIONIFRSA-N 2 1 238.375 1.364 20 0 BDADMP COCC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310583467 385117770 /nfs/dbraw/zinc/11/77/70/385117770.db2.gz SNWCRAHJVXXHLX-FRRDWIJNSA-N 2 1 244.379 1.110 20 0 BDADMP COCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310583467 385117778 /nfs/dbraw/zinc/11/77/78/385117778.db2.gz SNWCRAHJVXXHLX-FRRDWIJNSA-N 2 1 244.379 1.110 20 0 BDADMP COCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310583470 385120760 /nfs/dbraw/zinc/12/07/60/385120760.db2.gz SNWCRAHJVXXHLX-YNEHKIRRSA-N 2 1 244.379 1.110 20 0 BDADMP COCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310583470 385120767 /nfs/dbraw/zinc/12/07/67/385120767.db2.gz SNWCRAHJVXXHLX-YNEHKIRRSA-N 2 1 244.379 1.110 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000163478795 385128326 /nfs/dbraw/zinc/12/83/26/385128326.db2.gz JSDQYWJUGFUARG-CMPLNLGQSA-N 2 1 249.358 1.512 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(CO)cc1 ZINC000401642262 385135095 /nfs/dbraw/zinc/13/50/95/385135095.db2.gz IPWZTSAXWZMCMZ-UHFFFAOYSA-N 2 1 245.326 1.245 20 0 BDADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000518753916 385106274 /nfs/dbraw/zinc/10/62/74/385106274.db2.gz WUYHYCBTCWGOLK-STQMWFEESA-N 2 1 227.396 1.306 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000518753916 385106280 /nfs/dbraw/zinc/10/62/80/385106280.db2.gz WUYHYCBTCWGOLK-STQMWFEESA-N 3 1 227.396 1.306 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000518753916 385106287 /nfs/dbraw/zinc/10/62/87/385106287.db2.gz WUYHYCBTCWGOLK-STQMWFEESA-N 3 1 227.396 1.306 20 0 BDADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000310539227 385106678 /nfs/dbraw/zinc/10/66/78/385106678.db2.gz BQQDKHNOUITWAW-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](C[NH2+]Cc1cncs1)C[NH+]1CCCC1 ZINC000062079022 385153973 /nfs/dbraw/zinc/15/39/73/385153973.db2.gz PGFQHWCNPPOYPY-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@]1(C)CCCO1 ZINC000559767191 385165197 /nfs/dbraw/zinc/16/51/97/385165197.db2.gz QWXYEGPKTVCWID-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CCOC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000044688337 385218187 /nfs/dbraw/zinc/21/81/87/385218187.db2.gz MJOSHONAGJERKH-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000300990155 385222040 /nfs/dbraw/zinc/22/20/40/385222040.db2.gz LNAATQAWGVTGSO-SDDRHHMPSA-N 2 1 228.380 1.872 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000300990155 385222045 /nfs/dbraw/zinc/22/20/45/385222045.db2.gz LNAATQAWGVTGSO-SDDRHHMPSA-N 2 1 228.380 1.872 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715661 385224805 /nfs/dbraw/zinc/22/48/05/385224805.db2.gz WIKYGJONFZTGHZ-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000037621325 385233384 /nfs/dbraw/zinc/23/33/84/385233384.db2.gz OJJHAFAFIFAIBO-WCQYABFASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252729645 385234828 /nfs/dbraw/zinc/23/48/28/385234828.db2.gz HQKKGJKWHZXJBV-ZDEQEGDKSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252729645 385234835 /nfs/dbraw/zinc/23/48/35/385234835.db2.gz HQKKGJKWHZXJBV-ZDEQEGDKSA-N 2 1 226.364 1.220 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000036866961 385307093 /nfs/dbraw/zinc/30/70/93/385307093.db2.gz WGZDRVVRNSVCON-JTQLQIEISA-N 2 1 210.346 1.919 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)NC[C@@H]1CCC[N@@H+]1C ZINC000178650559 385312163 /nfs/dbraw/zinc/31/21/63/385312163.db2.gz PSRNUIWOKANYRK-PWSUYJOCSA-N 2 1 236.363 1.473 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)COC)[C@H](C)C1 ZINC000178669442 385316893 /nfs/dbraw/zinc/31/68/93/385316893.db2.gz UEJRSMKBGCPYOA-UPJWGTAASA-N 2 1 228.380 1.589 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCn2cccn2)[C@@H]1C ZINC000316795305 385331022 /nfs/dbraw/zinc/33/10/22/385331022.db2.gz GNNSJHICLCLTGS-JHJVBQTASA-N 2 1 236.363 1.331 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCn2cccn2)[C@@H]1C ZINC000316795305 385331024 /nfs/dbraw/zinc/33/10/24/385331024.db2.gz GNNSJHICLCLTGS-JHJVBQTASA-N 2 1 236.363 1.331 20 0 BDADMP CSCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000178824432 385331225 /nfs/dbraw/zinc/33/12/25/385331225.db2.gz XGHJJWCWQWIFBQ-UHFFFAOYSA-N 2 1 216.394 1.812 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)nc2)C1 ZINC000158083870 385339592 /nfs/dbraw/zinc/33/95/92/385339592.db2.gz PIIMUPBJFROGHE-ZDUSSCGKSA-N 2 1 249.358 1.522 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)nc2)C1 ZINC000158083870 385339596 /nfs/dbraw/zinc/33/95/96/385339596.db2.gz PIIMUPBJFROGHE-ZDUSSCGKSA-N 2 1 249.358 1.522 20 0 BDADMP Cc1cncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000299932447 385326970 /nfs/dbraw/zinc/32/69/70/385326970.db2.gz YHTRSBVMKSCJRN-SOUVJXGZSA-N 2 1 245.370 1.949 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000168926650 385392665 /nfs/dbraw/zinc/39/26/65/385392665.db2.gz AHXFKWWMJVOWQP-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000181438543 385407600 /nfs/dbraw/zinc/40/76/00/385407600.db2.gz WMPNLWIBTNYFOG-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647498837 385422089 /nfs/dbraw/zinc/42/20/89/385422089.db2.gz RVFXADAVONOKLM-OLZOCXBDSA-N 3 1 225.380 1.045 20 0 BDADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336714242 385422939 /nfs/dbraw/zinc/42/29/39/385422939.db2.gz WAFNYOAZQIGPJA-YNEHKIRRSA-N 2 1 210.365 1.964 20 0 BDADMP Fc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000364441894 385444601 /nfs/dbraw/zinc/44/46/01/385444601.db2.gz GOQKCHLADPWMIB-OLZOCXBDSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000364441894 385444606 /nfs/dbraw/zinc/44/46/06/385444606.db2.gz GOQKCHLADPWMIB-OLZOCXBDSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000364441894 385444610 /nfs/dbraw/zinc/44/46/10/385444610.db2.gz GOQKCHLADPWMIB-OLZOCXBDSA-N 2 1 249.333 1.937 20 0 BDADMP C[C@H](C[NH2+]Cc1cccnc1)C[NH+](C)C ZINC000291676115 385465885 /nfs/dbraw/zinc/46/58/85/385465885.db2.gz HCDTYQZWXGKLBL-LLVKDONJSA-N 2 1 207.321 1.369 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000360933145 385469566 /nfs/dbraw/zinc/46/95/66/385469566.db2.gz JVZKHTUWSXSJCV-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360933145 385469569 /nfs/dbraw/zinc/46/95/69/385469569.db2.gz JVZKHTUWSXSJCV-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000302338738 385515576 /nfs/dbraw/zinc/51/55/76/385515576.db2.gz OAGSILISLQGWTI-ZDUSSCGKSA-N 3 1 241.423 1.696 20 0 BDADMP Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc(C)[nH+]1 ZINC000643033775 385536000 /nfs/dbraw/zinc/53/60/00/385536000.db2.gz PWBQNKMZSXLAAC-NWDGAFQWSA-N 2 1 232.331 1.282 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000336728282 385520384 /nfs/dbraw/zinc/52/03/84/385520384.db2.gz WUAWFOSDSGDHFD-LBPRGKRZSA-N 2 1 241.423 1.966 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309429040 385578646 /nfs/dbraw/zinc/57/86/46/385578646.db2.gz FUFOIDBUOJGZKR-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1[nH]c2nc[nH+]c(N[C@H](C)CC[NH3+])c2c1C ZINC000647705674 385580980 /nfs/dbraw/zinc/58/09/80/385580980.db2.gz HEZHBSQNOBYPLR-SSDOTTSWSA-N 2 1 233.319 1.724 20 0 BDADMP CCOC[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000309479126 385605675 /nfs/dbraw/zinc/60/56/75/385605675.db2.gz SNOZQQJNQNYCTM-NSHDSACASA-N 2 1 225.336 1.596 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000082645557 385626967 /nfs/dbraw/zinc/62/69/67/385626967.db2.gz ZOSDDKYYVJHOQR-DGCLKSJQSA-N 2 1 219.332 1.641 20 0 BDADMP Cc1oncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000128937613 385635258 /nfs/dbraw/zinc/63/52/58/385635258.db2.gz MFJSLMSKJXQHPJ-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000128937613 385635261 /nfs/dbraw/zinc/63/52/61/385635261.db2.gz MFJSLMSKJXQHPJ-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000128937613 385635264 /nfs/dbraw/zinc/63/52/64/385635264.db2.gz MFJSLMSKJXQHPJ-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000128937613 385635269 /nfs/dbraw/zinc/63/52/69/385635269.db2.gz MFJSLMSKJXQHPJ-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000336650613 385607541 /nfs/dbraw/zinc/60/75/41/385607541.db2.gz DTSMQSXSIQFYRR-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000336650613 385607546 /nfs/dbraw/zinc/60/75/46/385607546.db2.gz DTSMQSXSIQFYRR-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+](CCN[C@@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000309493206 385613016 /nfs/dbraw/zinc/61/30/16/385613016.db2.gz XSHOKEULVPPQDY-DGCLKSJQSA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000309493206 385613021 /nfs/dbraw/zinc/61/30/21/385613021.db2.gz XSHOKEULVPPQDY-DGCLKSJQSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000309493206 385613027 /nfs/dbraw/zinc/61/30/27/385613027.db2.gz XSHOKEULVPPQDY-DGCLKSJQSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000309493206 385613030 /nfs/dbraw/zinc/61/30/30/385613030.db2.gz XSHOKEULVPPQDY-DGCLKSJQSA-N 2 1 225.380 1.010 20 0 BDADMP CN(C[C@@H](O)C[N@@H+](C)C1CCCC1)C1CC1 ZINC000336650016 385613587 /nfs/dbraw/zinc/61/35/87/385613587.db2.gz HGVPLHFBKFYMQG-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000336650016 385613589 /nfs/dbraw/zinc/61/35/89/385613589.db2.gz HGVPLHFBKFYMQG-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000336650016 385613594 /nfs/dbraw/zinc/61/35/94/385613594.db2.gz HGVPLHFBKFYMQG-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CCCC1)C1CC1 ZINC000336650016 385613599 /nfs/dbraw/zinc/61/35/99/385613599.db2.gz HGVPLHFBKFYMQG-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CCCC1)C1CC1 ZINC000336650016 385613603 /nfs/dbraw/zinc/61/36/03/385613603.db2.gz HGVPLHFBKFYMQG-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](C)CCC(F)(F)F ZINC000414850412 385641030 /nfs/dbraw/zinc/64/10/30/385641030.db2.gz SCPQFVPGAYYEIT-QMMMGPOBSA-N 2 1 212.259 1.917 20 0 BDADMP CC(C)n1cc(C[NH2+]CC2=CC[N@H+](C)CC2)nn1 ZINC000290169352 385646684 /nfs/dbraw/zinc/64/66/84/385646684.db2.gz QUSHLEAUWMUJPJ-UHFFFAOYSA-N 2 1 249.362 1.211 20 0 BDADMP CC(C)n1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)nn1 ZINC000290169352 385646688 /nfs/dbraw/zinc/64/66/88/385646688.db2.gz QUSHLEAUWMUJPJ-UHFFFAOYSA-N 2 1 249.362 1.211 20 0 BDADMP CC(C)CCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336685319 385687091 /nfs/dbraw/zinc/68/70/91/385687091.db2.gz FWBFWOSNBREINX-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336685319 385687094 /nfs/dbraw/zinc/68/70/94/385687094.db2.gz FWBFWOSNBREINX-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCOC1 ZINC000309580872 385714093 /nfs/dbraw/zinc/71/40/93/385714093.db2.gz QIGUBWUTYQDRQN-AAEUAGOBSA-N 2 1 224.348 1.263 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414857980 385729022 /nfs/dbraw/zinc/72/90/22/385729022.db2.gz GYWLIVGJJIWCIX-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000336654984 385744654 /nfs/dbraw/zinc/74/46/54/385744654.db2.gz HCWQCIGWDCINOU-CYBMUJFWSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]([NH2+]Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000414860478 385747729 /nfs/dbraw/zinc/74/77/29/385747729.db2.gz VQEYZCBQQKBWJW-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC[C@H]1CCOC1 ZINC000336739842 385787246 /nfs/dbraw/zinc/78/72/46/385787246.db2.gz POSMSFPXVFUGDC-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC[C@H]1CCOC1 ZINC000336739842 385787253 /nfs/dbraw/zinc/78/72/53/385787253.db2.gz POSMSFPXVFUGDC-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309657332 385777038 /nfs/dbraw/zinc/77/70/38/385777038.db2.gz QJPBXYWFVPNJAC-FRRDWIJNSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000521426618 385814322 /nfs/dbraw/zinc/81/43/22/385814322.db2.gz JOMMKFXASQDQEJ-IHRRRGAJSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951277 385822769 /nfs/dbraw/zinc/82/27/69/385822769.db2.gz PMXBMYWCOZKXDG-MROQNXINSA-N 3 1 225.380 1.247 20 0 BDADMP CC(C)n1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414958465 385858028 /nfs/dbraw/zinc/85/80/28/385858028.db2.gz OWSKCXLJJZXLMP-AAEUAGOBSA-N 2 1 236.363 1.552 20 0 BDADMP Cc1c(C[N@@H+](C)CCCn2ccnc2)cnn1C ZINC000271745889 385848645 /nfs/dbraw/zinc/84/86/45/385848645.db2.gz XNYHLHVOJDOZOP-UHFFFAOYSA-N 2 1 247.346 1.447 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@@H]2CCO2)CC[N@@H+]1C ZINC000638115489 385850900 /nfs/dbraw/zinc/85/09/00/385850900.db2.gz DDWKGGWHPBKKEQ-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@@H]2CCO2)CC[N@H+]1C ZINC000638115489 385850905 /nfs/dbraw/zinc/85/09/05/385850905.db2.gz DDWKGGWHPBKKEQ-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCC[C@@H]2CCO2)CC[NH+]1C ZINC000638115489 385850908 /nfs/dbraw/zinc/85/09/08/385850908.db2.gz DDWKGGWHPBKKEQ-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC[C@@H]2CCO2)CC[NH+]1C ZINC000638115489 385850911 /nfs/dbraw/zinc/85/09/11/385850911.db2.gz DDWKGGWHPBKKEQ-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CCCn1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414957604 385853079 /nfs/dbraw/zinc/85/30/79/385853079.db2.gz WCPNADOYBQKYMK-WCQYABFASA-N 2 1 236.363 1.523 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCOCC1 ZINC000336726276 385890594 /nfs/dbraw/zinc/89/05/94/385890594.db2.gz GEQVIXVPXUKTOD-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCOCC1 ZINC000336726276 385890598 /nfs/dbraw/zinc/89/05/98/385890598.db2.gz GEQVIXVPXUKTOD-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCSC1 ZINC000273667439 385890703 /nfs/dbraw/zinc/89/07/03/385890703.db2.gz YXXBJAVGWYJQNK-NSHDSACASA-N 2 1 237.372 1.743 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647844878 385895291 /nfs/dbraw/zinc/89/52/91/385895291.db2.gz YOWRHUNDKFGXFH-TZMCWYRMSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000294801554 385896994 /nfs/dbraw/zinc/89/69/94/385896994.db2.gz LLIYSCVOHSYCCO-ZDUSSCGKSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000294801554 385897001 /nfs/dbraw/zinc/89/70/01/385897001.db2.gz LLIYSCVOHSYCCO-ZDUSSCGKSA-N 2 1 233.359 1.774 20 0 BDADMP C[C@@H](CCn1cccn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000272485537 385906227 /nfs/dbraw/zinc/90/62/27/385906227.db2.gz JSZYGLKHVNTIAX-ZDUSSCGKSA-N 2 1 248.374 1.513 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000342098412 385926869 /nfs/dbraw/zinc/92/68/69/385926869.db2.gz IHDKJKQWHYEEPL-RFQIPJPRSA-N 3 1 237.391 1.045 20 0 BDADMP CCSCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000336725830 385862848 /nfs/dbraw/zinc/86/28/48/385862848.db2.gz BWNLUBUGOCWXOU-UHFFFAOYSA-N 2 1 246.420 1.440 20 0 BDADMP CCC(C)(C)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835650 385879497 /nfs/dbraw/zinc/87/94/97/385879497.db2.gz HBENEYCDYWUTKE-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000647830269 385880724 /nfs/dbraw/zinc/88/07/24/385880724.db2.gz FHXHGTSXWNMGJJ-ZDUSSCGKSA-N 2 1 219.332 1.295 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC000647837441 385882240 /nfs/dbraw/zinc/88/22/40/385882240.db2.gz LHRUETVEJGVYOA-SECBINFHSA-N 2 1 238.335 1.370 20 0 BDADMP CCOC[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000189359144 385987483 /nfs/dbraw/zinc/98/74/83/385987483.db2.gz QEPKTFABFFPSFJ-CYBMUJFWSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@@H+](CCOCC(F)F)CC(C)(C)C[NH3+] ZINC000336746609 385956003 /nfs/dbraw/zinc/95/60/03/385956003.db2.gz RNTZVJIPGSRUGA-UHFFFAOYSA-N 2 1 224.295 1.185 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335058782 385960160 /nfs/dbraw/zinc/96/01/60/385960160.db2.gz KGITZXKPMRLODA-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000335058782 385960165 /nfs/dbraw/zinc/96/01/65/385960165.db2.gz KGITZXKPMRLODA-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1CCO ZINC000338313274 385963053 /nfs/dbraw/zinc/96/30/53/385963053.db2.gz DMRJVSDBEUKOBS-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000414970873 385968056 /nfs/dbraw/zinc/96/80/56/385968056.db2.gz HEMOWCAADGYDQJ-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000336750800 386004757 /nfs/dbraw/zinc/00/47/57/386004757.db2.gz ZVMNIFBXRFQKPQ-WUHRBBMRSA-N 2 1 228.380 1.730 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393903060 386025139 /nfs/dbraw/zinc/02/51/39/386025139.db2.gz ITHHUOWOUMUFOI-NZFPMDFQSA-N 2 1 232.318 1.958 20 0 BDADMP C[NH2+][C@@H](C)C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414980235 386051838 /nfs/dbraw/zinc/05/18/38/386051838.db2.gz WBUIVELZWUETOZ-NEPJUHHUSA-N 2 1 228.380 1.637 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414986584 386111602 /nfs/dbraw/zinc/11/16/02/386111602.db2.gz XTZKSKUGMRFGOT-NSHDSACASA-N 2 1 218.304 1.390 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666727 386112548 /nfs/dbraw/zinc/11/25/48/386112548.db2.gz XFCZHWSMNZFQTK-FDYHWXHSSA-N 3 1 225.380 1.044 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1F ZINC000414886053 386066311 /nfs/dbraw/zinc/06/63/11/386066311.db2.gz CGEAJKWIAIYRIP-ZDUSSCGKSA-N 2 1 222.307 1.961 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414981696 386068523 /nfs/dbraw/zinc/06/85/23/386068523.db2.gz QYPAFJWLMGUKKF-CYBMUJFWSA-N 2 1 244.342 1.904 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000425449766 386083176 /nfs/dbraw/zinc/08/31/76/386083176.db2.gz TZWMMFVCSJFROB-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000425449766 386083180 /nfs/dbraw/zinc/08/31/80/386083180.db2.gz TZWMMFVCSJFROB-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000425449766 386083189 /nfs/dbraw/zinc/08/31/89/386083189.db2.gz TZWMMFVCSJFROB-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414673868 386146402 /nfs/dbraw/zinc/14/64/02/386146402.db2.gz CZLBAFWGFWMELO-UTUOFQBUSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CO)C2)CC[NH2+]1 ZINC000414677508 386157679 /nfs/dbraw/zinc/15/76/79/386157679.db2.gz WOFVIKMVOFRFBK-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000336722405 386160185 /nfs/dbraw/zinc/16/01/85/386160185.db2.gz YDXBKOOYNVMJAI-QWHCGFSZSA-N 2 1 237.347 1.596 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CCO)C1CCCC1 ZINC000414679477 386162657 /nfs/dbraw/zinc/16/26/57/386162657.db2.gz ZXBJJZQEEKYIOR-GFCCVEGCSA-N 2 1 228.380 1.597 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+]C[C@@H]([NH3+])C3CC3)cc12 ZINC000414894960 386180981 /nfs/dbraw/zinc/18/09/81/386180981.db2.gz MEDUIQREKVJDPV-GFCCVEGCSA-N 2 1 245.330 1.093 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nn1C ZINC000414668167 386127622 /nfs/dbraw/zinc/12/76/22/386127622.db2.gz ZLSFUJWWTMYOPN-UBHSHLNASA-N 2 1 248.374 1.288 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nn1C ZINC000414668167 386127629 /nfs/dbraw/zinc/12/76/29/386127629.db2.gz ZLSFUJWWTMYOPN-UBHSHLNASA-N 2 1 248.374 1.288 20 0 BDADMP CC(C)CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365504183 386136576 /nfs/dbraw/zinc/13/65/76/386136576.db2.gz BVQONXGOFPHXTB-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365504183 386136579 /nfs/dbraw/zinc/13/65/79/386136579.db2.gz BVQONXGOFPHXTB-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000365504183 386136583 /nfs/dbraw/zinc/13/65/83/386136583.db2.gz BVQONXGOFPHXTB-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H](C)O1 ZINC000414699421 386205824 /nfs/dbraw/zinc/20/58/24/386205824.db2.gz YOGDCOJRSNNUPN-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000414700308 386205859 /nfs/dbraw/zinc/20/58/59/386205859.db2.gz JMGKEJKKPCCIIB-UONOGXRCSA-N 2 1 241.423 1.633 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCC[C@H]2O)CC[NH2+]1 ZINC000414700519 386208372 /nfs/dbraw/zinc/20/83/72/386208372.db2.gz GAZSBLPMBGISMW-AAVRWANBSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414703295 386210148 /nfs/dbraw/zinc/21/01/48/386210148.db2.gz JMJPXDRIDAUQEM-CYBMUJFWSA-N 2 1 241.423 1.648 20 0 BDADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCC[NH3+] ZINC000414707396 386217550 /nfs/dbraw/zinc/21/75/50/386217550.db2.gz NVNFPOUJYWWHCI-OLZOCXBDSA-N 2 1 241.379 1.057 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414706022 386220019 /nfs/dbraw/zinc/22/00/19/386220019.db2.gz OFTDSZWOFVUFQU-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@@](C)([NH2+]CCC[NH3+])c1nccs1 ZINC000414710243 386226929 /nfs/dbraw/zinc/22/69/29/386226929.db2.gz PTUWLPPKMDOFSX-SNVBAGLBSA-N 2 1 213.350 1.707 20 0 BDADMP CC[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccncc1 ZINC000453198097 386231176 /nfs/dbraw/zinc/23/11/76/386231176.db2.gz ODCQJPYFLKPIIA-UONOGXRCSA-N 2 1 249.358 1.189 20 0 BDADMP CC[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccncc1 ZINC000453198097 386231179 /nfs/dbraw/zinc/23/11/79/386231179.db2.gz ODCQJPYFLKPIIA-UONOGXRCSA-N 2 1 249.358 1.189 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000347114102 386231778 /nfs/dbraw/zinc/23/17/78/386231778.db2.gz SDCDJROLUDYZCO-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000347125381 386237429 /nfs/dbraw/zinc/23/74/29/386237429.db2.gz YFPDQGAISILSDJ-BFHYXJOUSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)(C)NCC[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415002366 386242940 /nfs/dbraw/zinc/24/29/40/386242940.db2.gz MDJXCVSCSXJZLK-VXGBXAGGSA-N 2 1 227.396 1.482 20 0 BDADMP CC(C)(C)[NH2+]CCNC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415002366 386242943 /nfs/dbraw/zinc/24/29/43/386242943.db2.gz MDJXCVSCSXJZLK-VXGBXAGGSA-N 2 1 227.396 1.482 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH2+]C)C2)CCO1 ZINC000347096331 386246760 /nfs/dbraw/zinc/24/67/60/386246760.db2.gz HTCHKTQXHWMFOQ-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000336645494 386250967 /nfs/dbraw/zinc/25/09/67/386250967.db2.gz IAWGZVGJSXBQGU-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000336647229 386256997 /nfs/dbraw/zinc/25/69/97/386256997.db2.gz FKFUREGGPURJRD-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414729782 386280327 /nfs/dbraw/zinc/28/03/27/386280327.db2.gz FJUUKRBBPFFGAO-LBPRGKRZSA-N 3 1 227.396 1.435 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414729782 386280329 /nfs/dbraw/zinc/28/03/29/386280329.db2.gz FJUUKRBBPFFGAO-LBPRGKRZSA-N 3 1 227.396 1.435 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cnc(C)[nH]1 ZINC000264907295 386282714 /nfs/dbraw/zinc/28/27/14/386282714.db2.gz YJVIPSKTTMENRF-SECBINFHSA-N 2 1 238.335 1.178 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336662285 386283127 /nfs/dbraw/zinc/28/31/27/386283127.db2.gz JBBYBZVPGOBKGE-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336662285 386283128 /nfs/dbraw/zinc/28/31/28/386283128.db2.gz JBBYBZVPGOBKGE-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336662285 386283131 /nfs/dbraw/zinc/28/31/31/386283131.db2.gz JBBYBZVPGOBKGE-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP CN(C)c1ccccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347222910 386289607 /nfs/dbraw/zinc/28/96/07/386289607.db2.gz ULEKKCQWEHXUDK-UHFFFAOYSA-N 2 1 247.386 1.936 20 0 BDADMP CN(C)c1ccccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347222910 386289616 /nfs/dbraw/zinc/28/96/16/386289616.db2.gz ULEKKCQWEHXUDK-UHFFFAOYSA-N 2 1 247.386 1.936 20 0 BDADMP c1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)ccn1 ZINC000647987989 386294177 /nfs/dbraw/zinc/29/41/77/386294177.db2.gz BRAQWEUERNQMIT-OCCSQVGLSA-N 2 1 231.343 1.828 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000414739956 386313449 /nfs/dbraw/zinc/31/34/49/386313449.db2.gz CNBXCFBUOUEVRA-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000414739956 386313453 /nfs/dbraw/zinc/31/34/53/386313453.db2.gz CNBXCFBUOUEVRA-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](O)[C@@H](C)C2)CC[NH2+]1 ZINC000414738454 386319855 /nfs/dbraw/zinc/31/98/55/386319855.db2.gz JJBZKTGXQMDYHH-UMSGYPCISA-N 2 1 226.364 1.077 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000091996156 386319977 /nfs/dbraw/zinc/31/99/77/386319977.db2.gz UOXRDKKKQCSWLW-LBPRGKRZSA-N 2 1 249.358 1.656 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2(CO)CC2)CC[NH2+]1 ZINC000414739221 386320901 /nfs/dbraw/zinc/32/09/01/386320901.db2.gz KDBUXVZEQOJIQB-RYUDHWBXSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H](O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336650318 386263359 /nfs/dbraw/zinc/26/33/59/386263359.db2.gz SLHPZITVGONUFJ-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336650318 386263362 /nfs/dbraw/zinc/26/33/62/386263362.db2.gz SLHPZITVGONUFJ-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336650318 386263364 /nfs/dbraw/zinc/26/33/64/386263364.db2.gz SLHPZITVGONUFJ-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336650318 386263367 /nfs/dbraw/zinc/26/33/67/386263367.db2.gz SLHPZITVGONUFJ-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647884686 386264760 /nfs/dbraw/zinc/26/47/60/386264760.db2.gz WXLFYJPEBSIYHQ-RYUDHWBXSA-N 2 1 234.343 1.995 20 0 BDADMP CCCO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884537 386265547 /nfs/dbraw/zinc/26/55/47/386265547.db2.gz BTAHZJXPLOCNPN-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000336656784 386274821 /nfs/dbraw/zinc/27/48/21/386274821.db2.gz MCHLRJKPUAPSIR-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP OCC[N@@H+](CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647885653 386279556 /nfs/dbraw/zinc/27/95/56/386279556.db2.gz BFATYGFNZQECGS-HNNXBMFYSA-N 2 1 248.370 1.133 20 0 BDADMP CC[C@H]1c2ccccc2CC[N@@H+]1CCOCC[NH3+] ZINC000647885701 386279603 /nfs/dbraw/zinc/27/96/03/386279603.db2.gz HCFXSQNIZADIEQ-HNNXBMFYSA-N 2 1 248.370 1.971 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)[C@H](C)C1 ZINC000347308499 386350506 /nfs/dbraw/zinc/35/05/06/386350506.db2.gz BSBCAHQIWSUVSJ-XBFCOCLRSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000414745665 386351147 /nfs/dbraw/zinc/35/11/47/386351147.db2.gz PUUUFCVNMDVRKM-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000414745665 386351151 /nfs/dbraw/zinc/35/11/51/386351151.db2.gz PUUUFCVNMDVRKM-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414747535 386355150 /nfs/dbraw/zinc/35/51/50/386355150.db2.gz URGWFLQCKCPTNI-ZDUSSCGKSA-N 2 1 228.380 1.611 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414747535 386355153 /nfs/dbraw/zinc/35/51/53/386355153.db2.gz URGWFLQCKCPTNI-ZDUSSCGKSA-N 2 1 228.380 1.611 20 0 BDADMP CC[NH+](CC)CCC[NH+]1CCC(OC)CC1 ZINC000340605250 386358515 /nfs/dbraw/zinc/35/85/15/386358515.db2.gz YOHAGZQQBPLLFW-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000647889429 386360950 /nfs/dbraw/zinc/36/09/50/386360950.db2.gz PTOQBKGQLSJIJS-YNEHKIRRSA-N 2 1 240.416 1.956 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000647889429 386360958 /nfs/dbraw/zinc/36/09/58/386360958.db2.gz PTOQBKGQLSJIJS-YNEHKIRRSA-N 2 1 240.416 1.956 20 0 BDADMP C[NH+](C)C1(C[NH2+]C2CC(C)(C)C2)CCOCC1 ZINC000347391881 386378696 /nfs/dbraw/zinc/37/86/96/386378696.db2.gz PLRYHDDXZKZEFE-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1ccon1)CC[NH2+]CC2 ZINC000335276625 386339404 /nfs/dbraw/zinc/33/94/04/386339404.db2.gz GTLVKVLICLLIHS-NSHDSACASA-N 2 1 235.331 1.639 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)C(C)C ZINC000336722078 386448852 /nfs/dbraw/zinc/44/88/52/386448852.db2.gz SSDHKOLYXRAYGA-TZMCWYRMSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)C(C)C ZINC000336722078 386448854 /nfs/dbraw/zinc/44/88/54/386448854.db2.gz SSDHKOLYXRAYGA-TZMCWYRMSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)C(C)C ZINC000336722078 386448860 /nfs/dbraw/zinc/44/88/60/386448860.db2.gz SSDHKOLYXRAYGA-TZMCWYRMSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)C(C)C ZINC000336722078 386448866 /nfs/dbraw/zinc/44/88/66/386448866.db2.gz SSDHKOLYXRAYGA-TZMCWYRMSA-N 2 1 242.407 1.808 20 0 BDADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647990746 386394256 /nfs/dbraw/zinc/39/42/56/386394256.db2.gz BTECKEBVLRDDJU-OLZOCXBDSA-N 2 1 248.374 1.773 20 0 BDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C[C@@H](C)[NH3+])C1 ZINC000442663557 386420517 /nfs/dbraw/zinc/42/05/17/386420517.db2.gz SRDBAZJAWXDLAS-VXGBXAGGSA-N 2 1 236.363 1.430 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414761941 386421257 /nfs/dbraw/zinc/42/12/57/386421257.db2.gz VCJJASVTVYFENC-IKOXMDCHSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000414763894 386430657 /nfs/dbraw/zinc/43/06/57/386430657.db2.gz YFDMNYPEOYENBS-MELADBBJSA-N 2 1 239.407 1.386 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336732592 386471585 /nfs/dbraw/zinc/47/15/85/386471585.db2.gz ZTIQETXGFGDPML-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CCNC(C)(C)C ZINC000415011697 386489845 /nfs/dbraw/zinc/48/98/45/386489845.db2.gz HXBKAUDKOSPGKQ-NSHDSACASA-N 2 1 215.385 1.482 20 0 BDADMP C[C@@H](CCCC[NH3+])NCC[NH2+]C(C)(C)C ZINC000415011697 386489850 /nfs/dbraw/zinc/48/98/50/386489850.db2.gz HXBKAUDKOSPGKQ-NSHDSACASA-N 2 1 215.385 1.482 20 0 BDADMP CC[NH+](CC)CCCN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339621219 386491983 /nfs/dbraw/zinc/49/19/83/386491983.db2.gz HGVMTWKUOAYZJC-OKILXGFUSA-N 2 1 241.423 1.743 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000414779181 386492685 /nfs/dbraw/zinc/49/26/85/386492685.db2.gz FMZASWQUEOCSMV-LLVKDONJSA-N 2 1 222.336 1.421 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000414779181 386492687 /nfs/dbraw/zinc/49/26/87/386492687.db2.gz FMZASWQUEOCSMV-LLVKDONJSA-N 2 1 222.336 1.421 20 0 BDADMP CC[C@H]1C[N@@H+](CCOCC2CC2)CC[C@H]1[NH3+] ZINC000647936510 386529628 /nfs/dbraw/zinc/52/96/28/386529628.db2.gz GLQXTHZYILOPCX-QWHCGFSZSA-N 2 1 226.364 1.472 20 0 BDADMP COC1(C[NH2+]C2CC([NH+](C)C)C2)CCCC1 ZINC000519607738 386503840 /nfs/dbraw/zinc/50/38/40/386503840.db2.gz HKSHSJVEJFHMMD-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)nc(C)n2)C1 ZINC000267181014 386505864 /nfs/dbraw/zinc/50/58/64/386505864.db2.gz BPAFIBRPYVJMOG-CYBMUJFWSA-N 2 1 248.374 1.871 20 0 BDADMP CC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000267181014 386505872 /nfs/dbraw/zinc/50/58/72/386505872.db2.gz BPAFIBRPYVJMOG-CYBMUJFWSA-N 2 1 248.374 1.871 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000267181014 386505878 /nfs/dbraw/zinc/50/58/78/386505878.db2.gz BPAFIBRPYVJMOG-CYBMUJFWSA-N 2 1 248.374 1.871 20 0 BDADMP [NH3+]CCC[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000415052337 386509008 /nfs/dbraw/zinc/50/90/08/386509008.db2.gz KRIKBWJHURBZLD-HNNXBMFYSA-N 2 1 247.386 1.808 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414785516 386513671 /nfs/dbraw/zinc/51/36/71/386513671.db2.gz JGSJQPWDTWBGBC-SDDRHHMPSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414785516 386513675 /nfs/dbraw/zinc/51/36/75/386513675.db2.gz JGSJQPWDTWBGBC-SDDRHHMPSA-N 2 1 226.389 1.423 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000519641835 386514130 /nfs/dbraw/zinc/51/41/30/386514130.db2.gz HQXGBIGXFALMPK-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000519642650 386516869 /nfs/dbraw/zinc/51/68/69/386516869.db2.gz AAOMFXDGBUZTHE-KGLIPLIRSA-N 2 1 249.358 1.606 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000519642650 386516878 /nfs/dbraw/zinc/51/68/78/386516878.db2.gz AAOMFXDGBUZTHE-KGLIPLIRSA-N 2 1 249.358 1.606 20 0 BDADMP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415037991 386524315 /nfs/dbraw/zinc/52/43/15/386524315.db2.gz LRQBWRTUTBWECB-UFRMUOTOSA-N 2 1 246.354 1.668 20 0 BDADMP CC[C@H]1C[N@@H+](CCCOC(C)C)CC[C@H]1[NH3+] ZINC000647936458 386525267 /nfs/dbraw/zinc/52/52/67/386525267.db2.gz FJBMZKJLKOXXFW-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH2+]CC1 ZINC000414774519 386464145 /nfs/dbraw/zinc/46/41/45/386464145.db2.gz BLKDGGIFSKDGSQ-TZMCWYRMSA-N 3 1 239.407 1.639 20 0 BDADMP C[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977595 386578793 /nfs/dbraw/zinc/57/87/93/386578793.db2.gz DXFXCNBRHWBVCH-XQQFMLRXSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977595 386578797 /nfs/dbraw/zinc/57/87/97/386578797.db2.gz DXFXCNBRHWBVCH-XQQFMLRXSA-N 2 1 225.380 1.045 20 0 BDADMP CO[C@@H](C[NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1 ZINC000415076494 386579391 /nfs/dbraw/zinc/57/93/91/386579391.db2.gz CPDDSAPCXOEZSI-LBPRGKRZSA-N 2 1 240.322 1.840 20 0 BDADMP CCn1cncc1CN1CCN(C2CC2)CC1 ZINC000417708698 386583963 /nfs/dbraw/zinc/58/39/63/386583963.db2.gz WATSNUXGXCRPNE-UHFFFAOYSA-N 2 1 234.347 1.183 20 0 BDADMP COc1ccccc1/C=C\C[NH2+][C@H](C)C[NH3+] ZINC000414921718 386585361 /nfs/dbraw/zinc/58/53/61/386585361.db2.gz BMSVPICVQWYTSL-JPVGGKMYSA-N 2 1 220.316 1.645 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415080547 386591267 /nfs/dbraw/zinc/59/12/67/386591267.db2.gz YTESVKJAAUFNKP-VXGBXAGGSA-N 2 1 222.336 1.003 20 0 BDADMP COc1ccc(C[NH2+][C@H](CN)C2CC2)cc1F ZINC000414799610 386592598 /nfs/dbraw/zinc/59/25/98/386592598.db2.gz KEKUADXJWSUGBG-GFCCVEGCSA-N 2 1 238.306 1.661 20 0 BDADMP C[C@@]1(C[NH2+]Cc2cnc(N)s2)CCC[NH2+]C1 ZINC000414917332 386532407 /nfs/dbraw/zinc/53/24/07/386532407.db2.gz RHSDLZPZBNFTOY-LLVKDONJSA-N 2 1 240.376 1.035 20 0 BDADMP CN(C)c1cc(NC(=O)/C=C/C[NH+](C)C)cc[nH+]1 ZINC000267364631 386533017 /nfs/dbraw/zinc/53/30/17/386533017.db2.gz WZFVAZZAMVIWNY-AATRIKPKSA-N 2 1 248.330 1.204 20 0 BDADMP CC(C)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415053245 386534414 /nfs/dbraw/zinc/53/44/14/386534414.db2.gz MDLMHMOACMKWCG-UHFFFAOYSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000063125163 386537156 /nfs/dbraw/zinc/53/71/56/386537156.db2.gz ADQXGNAIRKOYFD-AWEZNQCLSA-N 3 1 239.407 1.260 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC000647995362 386537365 /nfs/dbraw/zinc/53/73/65/386537365.db2.gz RPIGZJNYKRHUMH-CHWSQXEVSA-N 3 1 237.391 1.060 20 0 BDADMP c1cncc([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000647995328 386539241 /nfs/dbraw/zinc/53/92/41/386539241.db2.gz OZKDJGMNQUKKIP-OCCSQVGLSA-N 2 1 231.343 1.480 20 0 BDADMP CCN(CC)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000062980223 386540703 /nfs/dbraw/zinc/54/07/03/386540703.db2.gz QGRHWNJMMLEXEE-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+](CC)[C@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000062980223 386540706 /nfs/dbraw/zinc/54/07/06/386540706.db2.gz QGRHWNJMMLEXEE-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC(=O)CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267453849 386544708 /nfs/dbraw/zinc/54/47/08/386544708.db2.gz SGOBUYUQPTWUKF-NSHDSACASA-N 2 1 221.304 1.568 20 0 BDADMP C[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000415063795 386544791 /nfs/dbraw/zinc/54/47/91/386544791.db2.gz AZIZNWUNGSUGFN-MFKMUULPSA-N 2 1 240.322 1.181 20 0 BDADMP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000415063795 386544798 /nfs/dbraw/zinc/54/47/98/386544798.db2.gz AZIZNWUNGSUGFN-MFKMUULPSA-N 2 1 240.322 1.181 20 0 BDADMP C[C@@H](CC1CCCCC1)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415064444 386545946 /nfs/dbraw/zinc/54/59/46/386545946.db2.gz CNXNYCCVZWHIKI-GXTWGEPZSA-N 2 1 242.407 1.844 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000063223690 386546091 /nfs/dbraw/zinc/54/60/91/386546091.db2.gz SOVDBYKAIABSIZ-JSGCOSHPSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000063223690 386546095 /nfs/dbraw/zinc/54/60/95/386546095.db2.gz SOVDBYKAIABSIZ-JSGCOSHPSA-N 2 1 233.359 1.826 20 0 BDADMP Cc1cc(Cl)ccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415064798 386546964 /nfs/dbraw/zinc/54/69/64/386546964.db2.gz DMZYQUIIVKEDRV-LBPRGKRZSA-N 2 1 242.750 1.400 20 0 BDADMP Cc1cc(Cl)ccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415064798 386546967 /nfs/dbraw/zinc/54/69/67/386546967.db2.gz DMZYQUIIVKEDRV-LBPRGKRZSA-N 2 1 242.750 1.400 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065389 386548394 /nfs/dbraw/zinc/54/83/94/386548394.db2.gz GBVHPRNXOATLCO-IHRRRGAJSA-N 2 1 234.343 1.042 20 0 BDADMP C[C@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+](C)C ZINC000291634725 386559683 /nfs/dbraw/zinc/55/96/83/386559683.db2.gz ARDNEWPHMRDMSC-SECBINFHSA-N 2 1 233.319 1.568 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000415073371 386560037 /nfs/dbraw/zinc/56/00/37/386560037.db2.gz AZKMKFMVMMGREZ-CYBMUJFWSA-N 2 1 225.380 1.202 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000336756355 386564240 /nfs/dbraw/zinc/56/42/40/386564240.db2.gz GYFIOJGUXNWBAC-ZDUSSCGKSA-N 2 1 228.380 1.731 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267645044 386566152 /nfs/dbraw/zinc/56/61/52/386566152.db2.gz WOWDRMQGCJWSJB-NSHDSACASA-N 2 1 245.330 1.523 20 0 BDADMP Cc1noc(C)c1CC[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415074577 386566813 /nfs/dbraw/zinc/56/68/13/386566813.db2.gz CVPWYUWIHIPNAO-GFCCVEGCSA-N 2 1 239.363 1.797 20 0 BDADMP CN(C)c1ccccc1C[NH2+]CC(C)(C)[NH3+] ZINC000414809275 386626609 /nfs/dbraw/zinc/62/66/09/386626609.db2.gz VJFICXFDDWMTBA-UHFFFAOYSA-N 2 1 221.348 1.580 20 0 BDADMP CCC(N)(CC)C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414812846 386643702 /nfs/dbraw/zinc/64/37/02/386643702.db2.gz SBQHZULQSALDKB-RYUDHWBXSA-N 2 1 227.396 1.482 20 0 BDADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1C ZINC000414802138 386603996 /nfs/dbraw/zinc/60/39/96/386603996.db2.gz HWSBKDPCOOZUMP-ZDUSSCGKSA-N 2 1 234.343 1.831 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000414804903 386607774 /nfs/dbraw/zinc/60/77/74/386607774.db2.gz YGAZWSSIANGMNQ-AGIUHOORSA-N 3 1 227.396 1.290 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414807852 386611505 /nfs/dbraw/zinc/61/15/05/386611505.db2.gz RPNJBTPMTTYTEF-GHMZBOCLSA-N 2 1 222.336 1.325 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2CCO)CC[NH2+]1 ZINC000415090395 386611732 /nfs/dbraw/zinc/61/17/32/386611732.db2.gz ALLGJYWPISGBGF-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)c1ccnn1C)C[NH+](C)C ZINC000336645598 386615246 /nfs/dbraw/zinc/61/52/46/386615246.db2.gz AVSVFTDPPMAFPQ-QWRGUYRKSA-N 2 1 224.352 1.268 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000337220022 386661691 /nfs/dbraw/zinc/66/16/91/386661691.db2.gz CYCZTEKCOHGEMJ-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000337220022 386661702 /nfs/dbraw/zinc/66/17/02/386661702.db2.gz CYCZTEKCOHGEMJ-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414925873 386662741 /nfs/dbraw/zinc/66/27/41/386662741.db2.gz KFQQALJRFOIFII-FDYHWXHSSA-N 2 1 226.364 1.389 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH+](C)C[C@H]1C)C(C)C ZINC000336759473 386664444 /nfs/dbraw/zinc/66/44/44/386664444.db2.gz JBEGMFRCCPDCFF-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000336759473 386664460 /nfs/dbraw/zinc/66/44/60/386664460.db2.gz JBEGMFRCCPDCFF-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP C[NH2+]CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414820669 386664912 /nfs/dbraw/zinc/66/49/12/386664912.db2.gz CNMJEXLKZCGXDO-ZFWWWQNUSA-N 2 1 247.386 1.631 20 0 BDADMP C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000165113080 386681340 /nfs/dbraw/zinc/68/13/40/386681340.db2.gz UIDBOKOTWWIKAX-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCOCC[NH3+] ZINC000357069955 386710898 /nfs/dbraw/zinc/71/08/98/386710898.db2.gz IDUIBVMIEAKXKU-DZGCQCFKSA-N 2 1 248.370 1.840 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414927185 386683639 /nfs/dbraw/zinc/68/36/39/386683639.db2.gz LNZQHFRTDQMCFL-QJPTWQEYSA-N 2 1 226.364 1.532 20 0 BDADMP COc1c(O)cccc1C[NH2+]CC[C@@H](C)[NH3+] ZINC000414825684 386690686 /nfs/dbraw/zinc/69/06/86/386690686.db2.gz UECOQVSLJDICBF-SECBINFHSA-N 2 1 224.304 1.228 20 0 BDADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cnn(C)c1 ZINC000268807298 386699259 /nfs/dbraw/zinc/69/92/59/386699259.db2.gz LEKOXXBRZZEDEP-ZDUSSCGKSA-N 2 1 247.346 1.666 20 0 BDADMP [NH3+]C[C@H]([NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000414830229 386707767 /nfs/dbraw/zinc/70/77/67/386707767.db2.gz ATUGTQYEJTVZDH-RUXDESIVSA-N 3 1 239.407 1.754 20 0 BDADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCC1 ZINC000325061428 386715133 /nfs/dbraw/zinc/71/51/33/386715133.db2.gz XIBFXUPVFWPLPG-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247483502 386719556 /nfs/dbraw/zinc/71/95/56/386719556.db2.gz SWHRMLJCYZXOFU-UKRRQHHQSA-N 2 1 248.370 1.604 20 0 BDADMP [NH3+]C[C@H]([NH2+]C1CCOCC1)C1CCCCC1 ZINC000414841544 386754777 /nfs/dbraw/zinc/75/47/77/386754777.db2.gz NJSAADXXBMHUPC-ZDUSSCGKSA-N 2 1 226.364 1.663 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+]CC2(N)CCCCC2)CC[NH2+]1 ZINC000414842835 386755130 /nfs/dbraw/zinc/75/51/30/386755130.db2.gz NAHIAURLQRZSLU-OLZOCXBDSA-N 2 1 239.407 1.626 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCCCS1 ZINC000087683684 386759849 /nfs/dbraw/zinc/75/98/49/386759849.db2.gz DFCMRQPEOYRHMS-ZJUUUORDSA-N 2 1 200.351 1.224 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192482547 386774221 /nfs/dbraw/zinc/77/42/21/386774221.db2.gz RULXVBHCVZSNAI-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC000125356384 386800981 /nfs/dbraw/zinc/80/09/81/386800981.db2.gz YCCNZERKOYRNLI-MELADBBJSA-N 2 1 238.375 1.472 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000334790430 386853022 /nfs/dbraw/zinc/85/30/22/386853022.db2.gz YCJQTEOCECGENG-ZIAGYGMSSA-N 2 1 248.374 1.368 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000358100032 386893143 /nfs/dbraw/zinc/89/31/43/386893143.db2.gz RPGDAVFMLDLKPT-QJPTWQEYSA-N 2 1 239.363 1.841 20 0 BDADMP C[C@@H]1COc2ccccc2C[N@@H+]1CCC[NH3+] ZINC000334832653 386870516 /nfs/dbraw/zinc/87/05/16/386870516.db2.gz GURVMCARVGZRFF-LLVKDONJSA-N 2 1 220.316 1.618 20 0 BDADMP C[C@@H]1COc2ccccc2C[N@H+]1CCC[NH3+] ZINC000334832653 386870521 /nfs/dbraw/zinc/87/05/21/386870521.db2.gz GURVMCARVGZRFF-LLVKDONJSA-N 2 1 220.316 1.618 20 0 BDADMP Cc1ccc(C)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000334833551 386873252 /nfs/dbraw/zinc/87/32/52/386873252.db2.gz PVRWVOJSAITZHR-WDNDVIMCSA-N 2 1 216.328 1.611 20 0 BDADMP Cc1nc(C)c(C)c(N(C)CC[N@@H+](C)C2CC2)n1 ZINC000302235011 386916376 /nfs/dbraw/zinc/91/63/76/386916376.db2.gz DXEPTUHDOOSOJN-UHFFFAOYSA-N 2 1 248.374 1.932 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443083 386900488 /nfs/dbraw/zinc/90/04/88/386900488.db2.gz CQQAJEOZQBEDKU-NTZNESFSSA-N 2 1 249.358 1.921 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443083 386900492 /nfs/dbraw/zinc/90/04/92/386900492.db2.gz CQQAJEOZQBEDKU-NTZNESFSSA-N 2 1 249.358 1.921 20 0 BDADMP CCn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000395509538 386907785 /nfs/dbraw/zinc/90/77/85/386907785.db2.gz OWBPOZLLTDZMET-GHMZBOCLSA-N 2 1 222.336 1.120 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000162187342 386946982 /nfs/dbraw/zinc/94/69/82/386946982.db2.gz CUHYHOOCBKVKES-GHMZBOCLSA-N 2 1 235.331 1.265 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000161708740 386927432 /nfs/dbraw/zinc/92/74/32/386927432.db2.gz JVPXDOPBNYMPKD-DGCLKSJQSA-N 2 1 219.332 1.293 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000334869033 386929342 /nfs/dbraw/zinc/92/93/42/386929342.db2.gz ODIJOLLPMSLPNA-WCQYABFASA-N 2 1 219.332 1.620 20 0 BDADMP C[N@H+](Cc1cccc2c1NCC2)C1CC([NH3+])C1 ZINC000334870175 386930153 /nfs/dbraw/zinc/93/01/53/386930153.db2.gz URMWQWCSDSZVNM-UHFFFAOYSA-N 2 1 231.343 1.576 20 0 BDADMP C[N@@H+](Cc1cccc2c1NCC2)C1CC([NH3+])C1 ZINC000334870175 386930157 /nfs/dbraw/zinc/93/01/57/386930157.db2.gz URMWQWCSDSZVNM-UHFFFAOYSA-N 2 1 231.343 1.576 20 0 BDADMP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000334873138 386935459 /nfs/dbraw/zinc/93/54/59/386935459.db2.gz HIOFYIXMNPSIGO-QWHCGFSZSA-N 3 1 225.380 1.108 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000334820053 386947920 /nfs/dbraw/zinc/94/79/20/386947920.db2.gz LCTKJRZYXZANSY-JOYOIKCWSA-N 2 1 236.363 1.443 20 0 BDADMP CS[C@@H]1CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000425353846 386963010 /nfs/dbraw/zinc/96/30/10/386963010.db2.gz NJYSVHUZTDGBFC-VXGBXAGGSA-N 2 1 226.389 1.732 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000162200693 386977427 /nfs/dbraw/zinc/97/74/27/386977427.db2.gz KMENJHUBIJXLIX-BDAKNGLRSA-N 2 1 225.723 1.909 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000334822902 386951091 /nfs/dbraw/zinc/95/10/91/386951091.db2.gz YQAQXLBEEUGCDY-ONGXEEELSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000334822898 386952055 /nfs/dbraw/zinc/95/20/55/386952055.db2.gz YQAQXLBEEUGCDY-KOLCDFICSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000334978886 387066692 /nfs/dbraw/zinc/06/66/92/387066692.db2.gz CTWLPCFIZHRRMG-QWHCGFSZSA-N 2 1 249.358 1.805 20 0 BDADMP C[N@H+](CCOCC(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000126770575 387045337 /nfs/dbraw/zinc/04/53/37/387045337.db2.gz XYMSVQYTWKVFKN-VIFPVBQESA-N 2 1 240.269 1.234 20 0 BDADMP C[N@@H+](CCOCC(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000126770575 387045340 /nfs/dbraw/zinc/04/53/40/387045340.db2.gz XYMSVQYTWKVFKN-VIFPVBQESA-N 2 1 240.269 1.234 20 0 BDADMP C(C[N@H+]1CCOCC2(CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000334968757 387051986 /nfs/dbraw/zinc/05/19/86/387051986.db2.gz MGPBRTZMODUWNP-ZDUSSCGKSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@H](C)CN1C ZINC000334970282 387054710 /nfs/dbraw/zinc/05/47/10/387054710.db2.gz UGYMIWJZXYHQQT-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000353076382 387058265 /nfs/dbraw/zinc/05/82/65/387058265.db2.gz AZHXFJJDDFXSPY-CQSZACIVSA-N 2 1 249.358 1.398 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000228005505 387059802 /nfs/dbraw/zinc/05/98/02/387059802.db2.gz TXPMSMVGWISGFH-NEPJUHHUSA-N 2 1 243.395 1.064 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCOCC23CC3)CC[NH2+]1 ZINC000334882509 387025818 /nfs/dbraw/zinc/02/58/18/387025818.db2.gz NCAWYJSZACMHER-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)C[C@H]12 ZINC000359223265 387069011 /nfs/dbraw/zinc/06/90/11/387069011.db2.gz QYZVIOFNJCBZQR-HZSPNIEDSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359220985 387070135 /nfs/dbraw/zinc/07/01/35/387070135.db2.gz OEVUBBWCCYRVKM-DGCLKSJQSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCCCN1 ZINC000333883487 387070559 /nfs/dbraw/zinc/07/05/59/387070559.db2.gz WRMJQEVCFCZWLT-QNWHQSFQSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)[C@H]1CCCCN1 ZINC000333883494 387070737 /nfs/dbraw/zinc/07/07/37/387070737.db2.gz WRMJQEVCFCZWLT-ZDEQEGDKSA-N 2 1 225.380 1.234 20 0 BDADMP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334984435 387072448 /nfs/dbraw/zinc/07/24/48/387072448.db2.gz ZBXQABDROGEMPI-DGCLKSJQSA-N 2 1 235.331 1.639 20 0 BDADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334984435 387072453 /nfs/dbraw/zinc/07/24/53/387072453.db2.gz ZBXQABDROGEMPI-DGCLKSJQSA-N 2 1 235.331 1.639 20 0 BDADMP CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380461 387077012 /nfs/dbraw/zinc/07/70/12/387077012.db2.gz NNWKWUHXYPXGBK-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380461 387077017 /nfs/dbraw/zinc/07/70/17/387077017.db2.gz NNWKWUHXYPXGBK-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473148 387088188 /nfs/dbraw/zinc/08/81/88/387088188.db2.gz SZDAQJWGADSQOH-BFHYXJOUSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC000334998439 387090124 /nfs/dbraw/zinc/09/01/24/387090124.db2.gz QLXMNSKOBUDXNM-GFCCVEGCSA-N 2 1 219.332 1.479 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000336765518 387094334 /nfs/dbraw/zinc/09/43/34/387094334.db2.gz ODGMESIPVAXMPQ-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000336765518 387094337 /nfs/dbraw/zinc/09/43/37/387094337.db2.gz ODGMESIPVAXMPQ-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP C[N@H+](CCc1ccccc1)CCN1CC[NH2+]CC1 ZINC000071148790 387094527 /nfs/dbraw/zinc/09/45/27/387094527.db2.gz YRVVHMPWBVEVNM-UHFFFAOYSA-N 2 1 247.386 1.066 20 0 BDADMP Cc1c[nH+]ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000336302828 387131414 /nfs/dbraw/zinc/13/14/14/387131414.db2.gz DLCYLVHFGLYXLS-NSHDSACASA-N 2 1 228.299 1.435 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[NH2+]C2)c1C ZINC000071311522 387102753 /nfs/dbraw/zinc/10/27/53/387102753.db2.gz XTHUCDFGIWQCMG-LBPRGKRZSA-N 2 1 249.358 1.501 20 0 BDADMP C[C@@H](O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336279072 387110418 /nfs/dbraw/zinc/11/04/18/387110418.db2.gz SPKIZONSTSUZAK-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000397243688 387110397 /nfs/dbraw/zinc/11/03/97/387110397.db2.gz SNWCORYAFJBABM-MCIONIFRSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397243688 387110404 /nfs/dbraw/zinc/11/04/04/387110404.db2.gz SNWCORYAFJBABM-MCIONIFRSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@H](O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336279073 387110950 /nfs/dbraw/zinc/11/09/50/387110950.db2.gz SPKIZONSTSUZAK-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000335030031 387124918 /nfs/dbraw/zinc/12/49/18/387124918.db2.gz MRQVHMGVJAXLAP-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP NC[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359215326 387068468 /nfs/dbraw/zinc/06/84/68/387068468.db2.gz JTXNOQKWBKEXHJ-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000359215326 387068472 /nfs/dbraw/zinc/06/84/72/387068472.db2.gz JTXNOQKWBKEXHJ-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccn1 ZINC000423308690 387144076 /nfs/dbraw/zinc/14/40/76/387144076.db2.gz YDUOEGIKOSJVEI-AWEZNQCLSA-N 2 1 233.359 1.978 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(CC)CC ZINC000423320314 387162841 /nfs/dbraw/zinc/16/28/41/387162841.db2.gz GDWOLBIZHJALJN-IJLUTSLNSA-N 2 1 228.380 1.907 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(CC)CC ZINC000423320316 387162912 /nfs/dbraw/zinc/16/29/12/387162912.db2.gz GDWOLBIZHJALJN-WOPDTQHZSA-N 2 1 228.380 1.907 20 0 BDADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H](C)O ZINC000571790787 387171536 /nfs/dbraw/zinc/17/15/36/387171536.db2.gz AFLYRCADHBTTCL-IALDZJHCSA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@@H]([NH2+]CCCC[NH3+])[C@H]1CCCCN1 ZINC000423330609 387173395 /nfs/dbraw/zinc/17/33/95/387173395.db2.gz PJPXOCRSQJRROR-VXGBXAGGSA-N 2 1 213.369 1.236 20 0 BDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423330230 387175885 /nfs/dbraw/zinc/17/58/85/387175885.db2.gz UCBRSPWYYATHLJ-NSHDSACASA-N 2 1 248.374 1.868 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccncc1 ZINC000423330919 387175901 /nfs/dbraw/zinc/17/59/01/387175901.db2.gz UJZOBTHFBDITPP-CHWSQXEVSA-N 2 1 219.332 1.860 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@@H+]1C ZINC000120181008 387178188 /nfs/dbraw/zinc/17/81/88/387178188.db2.gz IFSAETZKOXPFIQ-XUXIUFHCSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1C ZINC000120181008 387178192 /nfs/dbraw/zinc/17/81/92/387178192.db2.gz IFSAETZKOXPFIQ-XUXIUFHCSA-N 2 1 240.391 1.610 20 0 BDADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423338546 387188156 /nfs/dbraw/zinc/18/81/56/387188156.db2.gz WAWUPMYZFMMCIJ-NQBHXWOUSA-N 2 1 222.332 1.699 20 0 BDADMP CCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371302000 387188791 /nfs/dbraw/zinc/18/87/91/387188791.db2.gz XGVPZUJKJLHMQC-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1CC[N@H+](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000309751977 387133397 /nfs/dbraw/zinc/13/33/97/387133397.db2.gz GYBMSDZOLWNJMI-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000309751977 387133401 /nfs/dbraw/zinc/13/34/01/387133401.db2.gz GYBMSDZOLWNJMI-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000370665021 387135053 /nfs/dbraw/zinc/13/50/53/387135053.db2.gz MLWHGGFZTOFZDM-LLVKDONJSA-N 2 1 202.317 1.762 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000423301959 387135729 /nfs/dbraw/zinc/13/57/29/387135729.db2.gz UTSJTYFHMVZGTB-YNEHKIRRSA-N 2 1 228.380 1.909 20 0 BDADMP COc1ccsc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423303847 387137196 /nfs/dbraw/zinc/13/71/96/387137196.db2.gz MQUWWDHWBQOVQI-QMMMGPOBSA-N 2 1 226.345 1.627 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423357019 387207429 /nfs/dbraw/zinc/20/74/29/387207429.db2.gz RRBPXCMVZSBHDW-DGCLKSJQSA-N 3 1 223.364 1.026 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000423357019 387207433 /nfs/dbraw/zinc/20/74/33/387207433.db2.gz RRBPXCMVZSBHDW-DGCLKSJQSA-N 2 1 223.364 1.026 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H](C)C[NH3+])C[C@H]1OC ZINC000423361414 387212380 /nfs/dbraw/zinc/21/23/80/387212380.db2.gz GQJAVDVKHNEHAQ-HBNTYKKESA-N 2 1 214.353 1.517 20 0 BDADMP C[C@@H](C[NH3+])N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423362874 387215104 /nfs/dbraw/zinc/21/51/04/387215104.db2.gz ILEDWMWURYAKEZ-KCQAQPDRSA-N 2 1 247.386 1.586 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C1CC(O)C1 ZINC000353498373 387215954 /nfs/dbraw/zinc/21/59/54/387215954.db2.gz VCELLXASVXWPAF-HIFPTAJRSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C1CC(O)C1 ZINC000353498373 387215964 /nfs/dbraw/zinc/21/59/64/387215964.db2.gz VCELLXASVXWPAF-HIFPTAJRSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C1CC(O)C1 ZINC000353498373 387215968 /nfs/dbraw/zinc/21/59/68/387215968.db2.gz VCELLXASVXWPAF-HIFPTAJRSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000120260690 387216534 /nfs/dbraw/zinc/21/65/34/387216534.db2.gz YMSOLVLADSQKEY-LOWDOPEQSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366720 387218469 /nfs/dbraw/zinc/21/84/69/387218469.db2.gz QIBWBPVFYUMHEF-YRGRVCCFSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366720 387218471 /nfs/dbraw/zinc/21/84/71/387218471.db2.gz QIBWBPVFYUMHEF-YRGRVCCFSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423366942 387219172 /nfs/dbraw/zinc/21/91/72/387219172.db2.gz LXTVPSSKSBTJJR-RNJOBUHISA-N 2 1 225.380 1.363 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353517295 387220089 /nfs/dbraw/zinc/22/00/89/387220089.db2.gz JWOVRFWEGTWXDA-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423368617 387221372 /nfs/dbraw/zinc/22/13/72/387221372.db2.gz NKVSQRTVQGLTLU-GWCFXTLKSA-N 2 1 204.317 1.919 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353528745 387223424 /nfs/dbraw/zinc/22/34/24/387223424.db2.gz HPJSAZKHDRNHMW-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+]1CC[C@@H](CSCC[NH+]2CCOCC2)C1 ZINC000187677235 387224817 /nfs/dbraw/zinc/22/48/17/387224817.db2.gz BYCRXAMGODHQKZ-GFCCVEGCSA-N 2 1 244.404 1.004 20 0 BDADMP C[N@H+]1CC[C@@H](CSCC[NH+]2CCOCC2)C1 ZINC000187677235 387224819 /nfs/dbraw/zinc/22/48/19/387224819.db2.gz BYCRXAMGODHQKZ-GFCCVEGCSA-N 2 1 244.404 1.004 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CC=CCC1 ZINC000572054791 387225897 /nfs/dbraw/zinc/22/58/97/387225897.db2.gz ATKWHLIUVBTGGN-ZIAGYGMSSA-N 2 1 240.391 1.587 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CC=CCC1 ZINC000572054791 387225899 /nfs/dbraw/zinc/22/58/99/387225899.db2.gz ATKWHLIUVBTGGN-ZIAGYGMSSA-N 2 1 240.391 1.587 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000572054791 387225900 /nfs/dbraw/zinc/22/59/00/387225900.db2.gz ATKWHLIUVBTGGN-ZIAGYGMSSA-N 2 1 240.391 1.587 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000572054791 387225902 /nfs/dbraw/zinc/22/59/02/387225902.db2.gz ATKWHLIUVBTGGN-ZIAGYGMSSA-N 2 1 240.391 1.587 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423372520 387227844 /nfs/dbraw/zinc/22/78/44/387227844.db2.gz VXHSQNACFROTJP-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372520 387227845 /nfs/dbraw/zinc/22/78/45/387227845.db2.gz VXHSQNACFROTJP-JHJVBQTASA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372520 387227851 /nfs/dbraw/zinc/22/78/51/387227851.db2.gz VXHSQNACFROTJP-JHJVBQTASA-N 3 1 225.380 1.058 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)n1 ZINC000353568535 387230189 /nfs/dbraw/zinc/23/01/89/387230189.db2.gz LUZQWAGGZOTUNY-GFCCVEGCSA-N 2 1 249.358 1.479 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)n1 ZINC000353568535 387230191 /nfs/dbraw/zinc/23/01/91/387230191.db2.gz LUZQWAGGZOTUNY-GFCCVEGCSA-N 2 1 249.358 1.479 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000423373285 387230358 /nfs/dbraw/zinc/23/03/58/387230358.db2.gz JCGRYNCUQGGILQ-RFHZTLPTSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423401512 387238429 /nfs/dbraw/zinc/23/84/29/387238429.db2.gz QXQFIUMBDQJVHY-ZDEQEGDKSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353610549 387241231 /nfs/dbraw/zinc/24/12/31/387241231.db2.gz WRTGAISBWUGYTQ-IGQOVBAYSA-N 2 1 240.391 1.610 20 0 BDADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423407584 387242399 /nfs/dbraw/zinc/24/23/99/387242399.db2.gz WAWUPMYZFMMCIJ-DMDPSCGWSA-N 2 1 222.332 1.699 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000352488928 387251273 /nfs/dbraw/zinc/25/12/73/387251273.db2.gz WEAYTHSNLFSKBE-AWEZNQCLSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccnn1C ZINC000423344992 387194847 /nfs/dbraw/zinc/19/48/47/387194847.db2.gz OQKIGCFTEMZUEX-AAEUAGOBSA-N 2 1 236.363 1.460 20 0 BDADMP [NH3+]CC(F)(F)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423348964 387200531 /nfs/dbraw/zinc/20/05/31/387200531.db2.gz VJWCOYSEENQTRL-GHMZBOCLSA-N 2 1 241.285 1.315 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423375263 387257849 /nfs/dbraw/zinc/25/78/49/387257849.db2.gz XTOQFAXQACBZEA-WCQYABFASA-N 2 1 219.332 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423375678 387258287 /nfs/dbraw/zinc/25/82/87/387258287.db2.gz DBPWQWLJHKDTAQ-JHJVBQTASA-N 2 1 239.407 1.304 20 0 BDADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[NH3+])CC2 ZINC000423378220 387259737 /nfs/dbraw/zinc/25/97/37/387259737.db2.gz WGDSVMZDUABZCZ-ZANVPECISA-N 2 1 220.316 1.619 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000423378301 387260868 /nfs/dbraw/zinc/26/08/68/387260868.db2.gz KSLDWGMPOJQIGG-YVECIDJPSA-N 3 1 225.380 1.234 20 0 BDADMP CC[NH2+][C@H](C)CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423383498 387267238 /nfs/dbraw/zinc/26/72/38/387267238.db2.gz PGPWBMCQLUOPAM-LOWVWBTDSA-N 2 1 225.380 1.057 20 0 BDADMP CC[NH2+][C@H](C)CN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423383501 387268018 /nfs/dbraw/zinc/26/80/18/387268018.db2.gz PGPWBMCQLUOPAM-WZRBSPASSA-N 2 1 225.380 1.057 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423391032 387275413 /nfs/dbraw/zinc/27/54/13/387275413.db2.gz PAQPMOCZZHZPSW-AAVRWANBSA-N 2 1 239.407 1.447 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000423391527 387275513 /nfs/dbraw/zinc/27/55/13/387275513.db2.gz WYKHBYHKWOGCIJ-WOPDTQHZSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423391473 387276390 /nfs/dbraw/zinc/27/63/90/387276390.db2.gz PMISUJXWHTXCJD-NWDGAFQWSA-N 3 1 227.396 1.482 20 0 BDADMP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000423395168 387281641 /nfs/dbraw/zinc/28/16/41/387281641.db2.gz NGAGPHVSSLNMBN-CZXHOFHRSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CN1C1CC1 ZINC000423395168 387281645 /nfs/dbraw/zinc/28/16/45/387281645.db2.gz NGAGPHVSSLNMBN-CZXHOFHRSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)COC2 ZINC000423434604 387286661 /nfs/dbraw/zinc/28/66/61/387286661.db2.gz OGFGUWIRESVVRJ-FHOOGIDHSA-N 2 1 244.338 1.585 20 0 BDADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000423440685 387291195 /nfs/dbraw/zinc/29/11/95/387291195.db2.gz AWHNRBONPGEXSO-KOLCDFICSA-N 2 1 236.315 1.803 20 0 BDADMP Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000423444077 387293384 /nfs/dbraw/zinc/29/33/84/387293384.db2.gz WJMHGWHEMUNDIY-UXCLJVHYSA-N 2 1 222.357 1.925 20 0 BDADMP Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000423444342 387294587 /nfs/dbraw/zinc/29/45/87/387294587.db2.gz LQMBRDJUJFBSHU-VWYCJHECSA-N 2 1 207.321 1.776 20 0 BDADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423444741 387294705 /nfs/dbraw/zinc/29/47/05/387294705.db2.gz XFBCKCPFRBRIOB-LJISPDSOSA-N 2 1 244.338 1.490 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000423450049 387300289 /nfs/dbraw/zinc/30/02/89/387300289.db2.gz HCIYYMJDEQVWHE-SDDRHHMPSA-N 2 1 213.369 1.234 20 0 BDADMP c1ccc2c(c1)CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000643499646 387303325 /nfs/dbraw/zinc/30/33/25/387303325.db2.gz CBMBLVIBGVELPO-CABCVRRESA-N 2 1 230.355 1.886 20 0 BDADMP CC[C@H]1C[C@@H](C[NH2+]CCC[NH+]2CCC2)CCO1 ZINC000514872485 387305888 /nfs/dbraw/zinc/30/58/88/387305888.db2.gz HYSYTHRVALQXLI-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000160579540 387308244 /nfs/dbraw/zinc/30/82/44/387308244.db2.gz UNGGKDNKPBTEKU-MWLCHTKSSA-N 2 1 210.346 1.917 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NCCC[NH2+]C2CC2)C1 ZINC000423523332 387354725 /nfs/dbraw/zinc/35/47/25/387354725.db2.gz IFZIYQWFGMNSIW-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423530766 387357674 /nfs/dbraw/zinc/35/76/74/387357674.db2.gz ZDVYXFWSPULLQY-JHJVBQTASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502354 387363893 /nfs/dbraw/zinc/36/38/93/387363893.db2.gz DHXJOVUFVZAICR-NWDGAFQWSA-N 3 1 213.369 1.236 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000515338116 387365150 /nfs/dbraw/zinc/36/51/50/387365150.db2.gz WSSVUGFKEOXFAY-CYBMUJFWSA-N 2 1 244.342 1.699 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423541183 387366357 /nfs/dbraw/zinc/36/63/57/387366357.db2.gz FIRTWWLCBPEPRT-LOWDOPEQSA-N 2 1 226.364 1.532 20 0 BDADMP CCOC(=O)C[N@@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000515516696 387384335 /nfs/dbraw/zinc/38/43/35/387384335.db2.gz GEWXBAUBVYNHDL-VXGBXAGGSA-N 2 1 242.363 1.260 20 0 BDADMP CCOC(=O)C[N@@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000515516695 387384458 /nfs/dbraw/zinc/38/44/58/387384458.db2.gz GEWXBAUBVYNHDL-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000643502971 387367954 /nfs/dbraw/zinc/36/79/54/387367954.db2.gz WQKWIVHXXFQTLN-FRRDWIJNSA-N 2 1 226.364 1.676 20 0 BDADMP FC(F)O[C@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000515358252 387369119 /nfs/dbraw/zinc/36/91/19/387369119.db2.gz UQOGQSFLGHOBHW-JTQLQIEISA-N 2 1 245.273 1.587 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423566313 387377771 /nfs/dbraw/zinc/37/77/71/387377771.db2.gz UBUYHDUNTBABQD-DYEKYZERSA-N 2 1 237.391 1.201 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccnn1C ZINC000192245496 387322539 /nfs/dbraw/zinc/32/25/39/387322539.db2.gz ITSXDOJLHUHYPV-LBPRGKRZSA-N 2 1 238.379 1.803 20 0 BDADMP CC[C@@H](NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423480090 387326204 /nfs/dbraw/zinc/32/62/04/387326204.db2.gz MVIKJZQMFUMSDR-MCIONIFRSA-N 2 1 239.407 1.639 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423503917 387342475 /nfs/dbraw/zinc/34/24/75/387342475.db2.gz NEXAQOPJXUJNOO-DGCLKSJQSA-N 3 1 227.396 1.611 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CC1CC1 ZINC000515178108 387344299 /nfs/dbraw/zinc/34/42/99/387344299.db2.gz GLAHVOKCKNSZOD-UHFFFAOYSA-N 2 1 207.321 1.695 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC1CC1 ZINC000515178108 387344305 /nfs/dbraw/zinc/34/43/05/387344305.db2.gz GLAHVOKCKNSZOD-UHFFFAOYSA-N 2 1 207.321 1.695 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423511464 387348690 /nfs/dbraw/zinc/34/86/90/387348690.db2.gz TUMVBHPSWFCNCG-DLOVCJGASA-N 2 1 212.337 1.271 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423514431 387350330 /nfs/dbraw/zinc/35/03/30/387350330.db2.gz WOEOUDCNGDDLFG-UMNHJUIQSA-N 2 1 214.353 1.517 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000423516929 387351182 /nfs/dbraw/zinc/35/11/82/387351182.db2.gz YICDQTFUOWBOEW-RTXFEEFZSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@@H]1CN([C@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423516346 387351439 /nfs/dbraw/zinc/35/14/39/387351439.db2.gz WPEGXRKVEWMARA-RFQIPJPRSA-N 3 1 239.407 1.243 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000423518397 387352093 /nfs/dbraw/zinc/35/20/93/387352093.db2.gz ONFWARTVMLTENA-RDBSUJKOSA-N 2 1 237.391 1.058 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000572423551 387424590 /nfs/dbraw/zinc/42/45/90/387424590.db2.gz DJZXGMACBNWRMJ-VXGBXAGGSA-N 2 1 236.363 1.824 20 0 BDADMP C[Si](C)(C)C[N@H+]1CCCC[C@H]1C(=N)NO ZINC000374175553 387430840 /nfs/dbraw/zinc/43/08/40/387430840.db2.gz PAQQGROKBSNVMP-VIFPVBQESA-N 2 1 229.400 1.674 20 0 BDADMP COCC1([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000643470259 387444140 /nfs/dbraw/zinc/44/41/40/387444140.db2.gz KHRZTRYLSXQFDJ-QWHCGFSZSA-N 2 1 232.327 1.900 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)OC ZINC000361572276 387497839 /nfs/dbraw/zinc/49/78/39/387497839.db2.gz CQFMPVWHRJDCCV-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H]1CCOC1 ZINC000361591462 387499265 /nfs/dbraw/zinc/49/92/65/387499265.db2.gz ZWGJGPZELLQGFY-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000306589502 387507895 /nfs/dbraw/zinc/50/78/95/387507895.db2.gz XCCTXTAKJXLJNV-RCWTZXSCSA-N 2 1 214.378 1.611 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122322792 387514566 /nfs/dbraw/zinc/51/45/66/387514566.db2.gz XEZYKXFAZSAPEV-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192795663 387534362 /nfs/dbraw/zinc/53/43/62/387534362.db2.gz BIOQTTJBFYCJEW-RWMBFGLXSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361803406 387537220 /nfs/dbraw/zinc/53/72/20/387537220.db2.gz FVQAGDXNLBQTFU-REWJHTLYSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361803406 387537225 /nfs/dbraw/zinc/53/72/25/387537225.db2.gz FVQAGDXNLBQTFU-REWJHTLYSA-N 2 1 242.407 1.856 20 0 BDADMP C(C[NH2+][C@H]1CCCC12CCOCC2)[NH2+]C1CC1 ZINC000643507742 387479142 /nfs/dbraw/zinc/47/91/42/387479142.db2.gz OCIIQQCPFVDYGP-ZDUSSCGKSA-N 2 1 238.375 1.677 20 0 BDADMP C[N@H+](CC[NH2+]CC1(C)COC1)C1CCCCC1 ZINC000352783108 387480256 /nfs/dbraw/zinc/48/02/56/387480256.db2.gz XGENGLUDWOSIKY-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](CC[NH2+]CC1(C)COC1)C1CCCCC1 ZINC000352783108 387480264 /nfs/dbraw/zinc/48/02/64/387480264.db2.gz XGENGLUDWOSIKY-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP COCC[C@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507505 387486952 /nfs/dbraw/zinc/48/69/52/387486952.db2.gz GYWPIOITWORXKU-DGCLKSJQSA-N 2 1 226.364 1.533 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422715583 387628216 /nfs/dbraw/zinc/62/82/16/387628216.db2.gz SOIKNQAOQPQBGK-IJLUTSLNSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000528761752 387594135 /nfs/dbraw/zinc/59/41/35/387594135.db2.gz ZNXFKUWZNGCFGQ-KQXIARHKSA-N 2 1 237.347 1.364 20 0 BDADMP CCC(N)(CC)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643513487 387597887 /nfs/dbraw/zinc/59/78/87/387597887.db2.gz CNTCSLDJVBCQAG-GFCCVEGCSA-N 2 1 241.423 1.824 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422689969 387612305 /nfs/dbraw/zinc/61/23/05/387612305.db2.gz FXYAAHOYWNKHGE-VXGBXAGGSA-N 2 1 248.374 1.487 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422694712 387613249 /nfs/dbraw/zinc/61/32/49/387613249.db2.gz OIMTYDMOLVLGFI-ROKHWSDSSA-N 3 1 239.407 1.435 20 0 BDADMP CCN1CC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422694712 387613252 /nfs/dbraw/zinc/61/32/52/387613252.db2.gz OIMTYDMOLVLGFI-ROKHWSDSSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000422699706 387615299 /nfs/dbraw/zinc/61/52/99/387615299.db2.gz DWJPACUSQAXIRU-UPJWGTAASA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H]([NH2+]Cc1ccc2ccccc2n1)C1C[NH2+]C1 ZINC000422700273 387615606 /nfs/dbraw/zinc/61/56/06/387615606.db2.gz GFINPZPXQKJUOD-NSHDSACASA-N 2 1 241.338 1.932 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000422699703 387615957 /nfs/dbraw/zinc/61/59/57/387615957.db2.gz DWJPACUSQAXIRU-AGIUHOORSA-N 2 1 226.364 1.676 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422702412 387617717 /nfs/dbraw/zinc/61/77/17/387617717.db2.gz FCFKSADYZMOJRN-XBFCOCLRSA-N 2 1 242.407 1.904 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422708082 387622208 /nfs/dbraw/zinc/62/22/08/387622208.db2.gz BIVXBBUDJGFXOQ-NWDGAFQWSA-N 2 1 213.369 1.188 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422708261 387623434 /nfs/dbraw/zinc/62/34/34/387623434.db2.gz ISTVTSITBPASTD-NEPJUHHUSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H](CCC1CCCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305126369 387559706 /nfs/dbraw/zinc/55/97/06/387559706.db2.gz LIDSTHSLWRAZKP-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000305170939 387570020 /nfs/dbraw/zinc/57/00/20/387570020.db2.gz UGODTCVPVIYRIZ-IGQOVBAYSA-N 2 1 242.407 1.712 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000422722862 387632259 /nfs/dbraw/zinc/63/22/59/387632259.db2.gz PXMCNUYBIRTBHS-GFCCVEGCSA-N 3 1 238.379 1.689 20 0 BDADMP CC[N@@H+](C)CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422722522 387632495 /nfs/dbraw/zinc/63/24/95/387632495.db2.gz YGAKNUAGHYIKAT-HIFRSBDPSA-N 2 1 249.402 1.486 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000422727871 387636124 /nfs/dbraw/zinc/63/61/24/387636124.db2.gz IICUMGURVIRQKY-FZMZJTMJSA-N 2 1 236.334 1.956 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000126798136 387694871 /nfs/dbraw/zinc/69/48/71/387694871.db2.gz KCHNGLLKAJYCLZ-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422730174 387637472 /nfs/dbraw/zinc/63/74/72/387637472.db2.gz LSJXDBMHAIJMDH-NWDGAFQWSA-N 3 1 215.385 1.434 20 0 BDADMP COC[C@@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000123055114 387640613 /nfs/dbraw/zinc/64/06/13/387640613.db2.gz DQISKYBABURMPI-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CCOCC1 ZINC000422734435 387643253 /nfs/dbraw/zinc/64/32/53/387643253.db2.gz SIBJJXOYRIVHCC-DGCLKSJQSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+](C)C1CCCC1 ZINC000422736205 387643834 /nfs/dbraw/zinc/64/38/34/387643834.db2.gz FUNBVIIKPGWEGQ-NWDGAFQWSA-N 2 1 227.396 1.576 20 0 BDADMP CCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422739066 387646562 /nfs/dbraw/zinc/64/65/62/387646562.db2.gz ZVELCWIUDYPSGT-AAEUAGOBSA-N 2 1 206.333 1.945 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000527637866 387646756 /nfs/dbraw/zinc/64/67/56/387646756.db2.gz QAJTYECQVSVIKW-AWEZNQCLSA-N 2 1 245.370 1.964 20 0 BDADMP CCC(CC)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000149321906 387650238 /nfs/dbraw/zinc/65/02/38/387650238.db2.gz RGOPMINPPRAJTA-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CCC(CC)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000149321906 387650243 /nfs/dbraw/zinc/65/02/43/387650243.db2.gz RGOPMINPPRAJTA-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422746144 387650251 /nfs/dbraw/zinc/65/02/51/387650251.db2.gz VZYODZUUPXZBKQ-DYEKYZERSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000422746144 387650256 /nfs/dbraw/zinc/65/02/56/387650256.db2.gz VZYODZUUPXZBKQ-DYEKYZERSA-N 2 1 237.391 1.201 20 0 BDADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000422747408 387650804 /nfs/dbraw/zinc/65/08/04/387650804.db2.gz YMOKRHUWDOQSSO-UONOGXRCSA-N 2 1 239.407 1.578 20 0 BDADMP CC(C)COCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422794554 387695284 /nfs/dbraw/zinc/69/52/84/387695284.db2.gz ZAGZBUAGEQAHRZ-OLZOCXBDSA-N 2 1 228.380 1.637 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000430803188 387654802 /nfs/dbraw/zinc/65/48/02/387654802.db2.gz RAKLQKVZCPBHIB-WOPDTQHZSA-N 2 1 241.379 1.055 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422758806 387660026 /nfs/dbraw/zinc/66/00/26/387660026.db2.gz JZFONUKJWVAJPA-UPJWGTAASA-N 2 1 242.407 1.904 20 0 BDADMP C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)C1C[NH2+]C1 ZINC000422756464 387661215 /nfs/dbraw/zinc/66/12/15/387661215.db2.gz LMWRBPVKFHNMNG-SWLSCSKDSA-N 2 1 247.386 1.487 20 0 BDADMP CCCCOCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422792815 387695699 /nfs/dbraw/zinc/69/56/99/387695699.db2.gz ZMRFFGQRHBLVPF-OLZOCXBDSA-N 2 1 228.380 1.923 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422761480 387663737 /nfs/dbraw/zinc/66/37/37/387663737.db2.gz MQLWNXGQMYPSBI-RFGFWPKPSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000422761480 387663745 /nfs/dbraw/zinc/66/37/45/387663745.db2.gz MQLWNXGQMYPSBI-RFGFWPKPSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H](C)C1C[NH2+]C1 ZINC000422769550 387667067 /nfs/dbraw/zinc/66/70/67/387667067.db2.gz VEJLPXUFSGYDJD-JHJVBQTASA-N 2 1 239.407 1.304 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422767326 387667781 /nfs/dbraw/zinc/66/77/81/387667781.db2.gz RXOSYKAKWXWRMD-GJZGRUSLSA-N 2 1 247.386 1.588 20 0 BDADMP CN(CC[NH2+][C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422767326 387667787 /nfs/dbraw/zinc/66/77/87/387667787.db2.gz RXOSYKAKWXWRMD-GJZGRUSLSA-N 2 1 247.386 1.588 20 0 BDADMP CSCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000362925755 387675474 /nfs/dbraw/zinc/67/54/74/387675474.db2.gz LXDWCRLSNGSDNW-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362925755 387675481 /nfs/dbraw/zinc/67/54/81/387675481.db2.gz LXDWCRLSNGSDNW-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362925755 387675487 /nfs/dbraw/zinc/67/54/87/387675487.db2.gz LXDWCRLSNGSDNW-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000452000976 387696130 /nfs/dbraw/zinc/69/61/30/387696130.db2.gz CEHFBWDCABONTE-YPMHNXCESA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000452000976 387696137 /nfs/dbraw/zinc/69/61/37/387696137.db2.gz CEHFBWDCABONTE-YPMHNXCESA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC(C)(C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000452000976 387696143 /nfs/dbraw/zinc/69/61/43/387696143.db2.gz CEHFBWDCABONTE-YPMHNXCESA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC(C)(C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000452000976 387696149 /nfs/dbraw/zinc/69/61/49/387696149.db2.gz CEHFBWDCABONTE-YPMHNXCESA-N 2 1 240.391 1.704 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000126363498 387680450 /nfs/dbraw/zinc/68/04/50/387680450.db2.gz CZBKVARVXZXKDF-SMDDNHRTSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnn(C)c1 ZINC000044498877 387683012 /nfs/dbraw/zinc/68/30/12/387683012.db2.gz ZFJQGQFWLIBPAU-VXGBXAGGSA-N 2 1 248.374 1.555 20 0 BDADMP C[C@H]([NH2+]CCCOCC1CC1)c1c[nH+]ccc1N ZINC000422787712 387687689 /nfs/dbraw/zinc/68/76/89/387687689.db2.gz QFXWRRLBIFOYSG-NSHDSACASA-N 2 1 249.358 1.961 20 0 BDADMP C[C@H](CN[C@H]1CCC[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422862917 387742956 /nfs/dbraw/zinc/74/29/56/387742956.db2.gz OFAPJCXSGMWNMR-SYQHCUMBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861056 387743352 /nfs/dbraw/zinc/74/33/52/387743352.db2.gz IWPSFOKHDXQSHP-CIQGVGRVSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862098 387744389 /nfs/dbraw/zinc/74/43/89/387744389.db2.gz NJVMRFHSXYPWOY-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422859742 387745285 /nfs/dbraw/zinc/74/52/85/387745285.db2.gz KFOIGPKWTNXLPZ-IGQOVBAYSA-N 2 1 241.423 1.965 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCCC[C@H]1C ZINC000422859742 387745289 /nfs/dbraw/zinc/74/52/89/387745289.db2.gz KFOIGPKWTNXLPZ-IGQOVBAYSA-N 2 1 241.423 1.965 20 0 BDADMP C[N@H+]1CCN(CC[NH2+]CC(C)(C)C)CC1(C)C ZINC000441350873 387748424 /nfs/dbraw/zinc/74/84/24/387748424.db2.gz RMSLZFNEJIOZSV-UHFFFAOYSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871384 387750297 /nfs/dbraw/zinc/75/02/97/387750297.db2.gz ZYKKWJFGZYPKMM-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000643525995 387754532 /nfs/dbraw/zinc/75/45/32/387754532.db2.gz LUKHDMXZWQLSEX-VHSXEESVSA-N 2 1 236.315 1.456 20 0 BDADMP COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422808561 387707206 /nfs/dbraw/zinc/70/72/06/387707206.db2.gz OKLZXFUNFLCZDX-ZIAGYGMSSA-N 2 1 234.343 1.802 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422810909 387707799 /nfs/dbraw/zinc/70/77/99/387707799.db2.gz UYFCIKKECAVSQV-KBPBESRZSA-N 2 1 247.342 1.614 20 0 BDADMP C[N@@H+](CCCO)CCC[NH+]1CCCCC1 ZINC000440942944 387712488 /nfs/dbraw/zinc/71/24/88/387712488.db2.gz GXLFQXPUWPFCGA-UHFFFAOYSA-N 2 1 214.353 1.177 20 0 BDADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000422821975 387716508 /nfs/dbraw/zinc/71/65/08/387716508.db2.gz ZMNMCCSFWKMRFQ-BXUZGUMPSA-N 2 1 218.344 1.945 20 0 BDADMP C[C@H]1C[C@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000452069428 387722531 /nfs/dbraw/zinc/72/25/31/387722531.db2.gz MQWZCUKOGFWYLI-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000367549882 387723755 /nfs/dbraw/zinc/72/37/55/387723755.db2.gz HPITZKCKVRGVRT-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367549882 387723759 /nfs/dbraw/zinc/72/37/59/387723759.db2.gz HPITZKCKVRGVRT-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367549882 387723760 /nfs/dbraw/zinc/72/37/60/387723760.db2.gz HPITZKCKVRGVRT-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127726349 387724607 /nfs/dbraw/zinc/72/46/07/387724607.db2.gz LJVZVUQDZNIGEK-UPJWGTAASA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422835740 387729154 /nfs/dbraw/zinc/72/91/54/387729154.db2.gz IZAAMTCDUQSORD-OBJOEFQTSA-N 2 1 233.359 1.743 20 0 BDADMP CC[N@@H+](CCN[C@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000422877912 387755807 /nfs/dbraw/zinc/75/58/07/387755807.db2.gz IUUOBFMBWQHEIW-ZIAGYGMSSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422842466 387732670 /nfs/dbraw/zinc/73/26/70/387732670.db2.gz YGOXZWOPANSOAA-CYDGBPFRSA-N 3 1 227.396 1.575 20 0 BDADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000356847769 387733809 /nfs/dbraw/zinc/73/38/09/387733809.db2.gz JTPNUYOBFHNYPH-BFHYXJOUSA-N 2 1 244.423 1.959 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1(C)C ZINC000422852637 387736979 /nfs/dbraw/zinc/73/69/79/387736979.db2.gz QUHJSSYRRIVLQI-NOOOWODRSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422852726 387738778 /nfs/dbraw/zinc/73/87/78/387738778.db2.gz BCBDZBZELMODKG-YIYPIFLZSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000643527927 387763116 /nfs/dbraw/zinc/76/31/16/387763116.db2.gz VRVRVUVNEUDXDE-GXFFZTMASA-N 2 1 219.332 1.860 20 0 BDADMP CC[C@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000422898546 387766827 /nfs/dbraw/zinc/76/68/27/387766827.db2.gz FIJQALZGYBTYNZ-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422909509 387768465 /nfs/dbraw/zinc/76/84/65/387768465.db2.gz OEZNWYRHNOBTCS-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422910131 387769968 /nfs/dbraw/zinc/76/99/68/387769968.db2.gz PVWLZNAGFHXQQP-WOPDTQHZSA-N 2 1 215.385 1.432 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000643528818 387773287 /nfs/dbraw/zinc/77/32/87/387773287.db2.gz PLFHSWZBSUMVPL-KWBADKCTSA-N 2 1 204.317 1.857 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000643528725 387773327 /nfs/dbraw/zinc/77/33/27/387773327.db2.gz NPOMIHDLDMUXOA-NXEZZACHSA-N 2 1 208.305 1.177 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000422932980 387780971 /nfs/dbraw/zinc/78/09/71/387780971.db2.gz CWRMTUAVRJEYGZ-JQWIXIFHSA-N 2 1 236.363 1.894 20 0 BDADMP Cc1cccc(NC[C@@H]2CCN(C[C@@H](C)[NH3+])C2)n1 ZINC000442657253 387813659 /nfs/dbraw/zinc/81/36/59/387813659.db2.gz HFUAQLFCNKIFHC-YPMHNXCESA-N 3 1 248.374 1.471 20 0 BDADMP C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422944567 387785578 /nfs/dbraw/zinc/78/55/78/387785578.db2.gz SJHJZITWOZNBSS-DRZSPHRISA-N 2 1 248.374 1.387 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000527975283 387812742 /nfs/dbraw/zinc/81/27/42/387812742.db2.gz UAWZIGMUIPGTIQ-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422978919 387788202 /nfs/dbraw/zinc/78/82/02/387788202.db2.gz KYTRLIOKZBQMQH-WOPDTQHZSA-N 2 1 214.353 1.125 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000527975283 387812745 /nfs/dbraw/zinc/81/27/45/387812745.db2.gz UAWZIGMUIPGTIQ-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)n1 ZINC000359973245 387791387 /nfs/dbraw/zinc/79/13/87/387791387.db2.gz KBTLWFHZJFRTSC-LLVKDONJSA-N 2 1 245.330 1.143 20 0 BDADMP Cn1ccc(CN2CC[C@@H](c3nccn3C)C2)n1 ZINC000359973245 387791393 /nfs/dbraw/zinc/79/13/93/387791393.db2.gz KBTLWFHZJFRTSC-LLVKDONJSA-N 2 1 245.330 1.143 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)[C@@H]1CCC[NH2+]1 ZINC000422979750 387792404 /nfs/dbraw/zinc/79/24/04/387792404.db2.gz NRTTTYNYGKZTEK-FIQHERPVSA-N 2 1 246.420 1.219 20 0 BDADMP CC[C@@H](CCO)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422982170 387794734 /nfs/dbraw/zinc/79/47/34/387794734.db2.gz VTUVGPMSFAVZHG-UWVGGRQHSA-N 2 1 223.320 1.306 20 0 BDADMP COCCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422986845 387795106 /nfs/dbraw/zinc/79/51/06/387795106.db2.gz DLRPKLBVUKZJGY-NEPJUHHUSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000422984564 387795765 /nfs/dbraw/zinc/79/57/65/387795765.db2.gz AZLAAYQEQDWKGS-IJLUTSLNSA-N 2 1 249.358 1.960 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527982541 387800411 /nfs/dbraw/zinc/80/04/11/387800411.db2.gz SVJDTKARMJNEAC-IGYKFCIQSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422993099 387801161 /nfs/dbraw/zinc/80/11/61/387801161.db2.gz SIMBTVVBGMRRGL-RYUDHWBXSA-N 2 1 226.364 1.127 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000422999796 387805893 /nfs/dbraw/zinc/80/58/93/387805893.db2.gz YLDLZJCNQJDTGJ-RYUDHWBXSA-N 2 1 228.380 1.373 20 0 BDADMP COCC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432117503 387757850 /nfs/dbraw/zinc/75/78/50/387757850.db2.gz UDARIJFSFHYAAZ-LBPRGKRZSA-N 2 1 249.358 1.655 20 0 BDADMP C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880918 387758115 /nfs/dbraw/zinc/75/81/15/387758115.db2.gz XUEMCGTWQYRBRU-UVLXDEKHSA-N 2 1 237.391 1.199 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422882527 387758545 /nfs/dbraw/zinc/75/85/45/387758545.db2.gz SMNSRPVSWGNUNQ-OLZOCXBDSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@H]([NH2+]CC1(O)CCCCC1)c1c[nH+]ccc1N ZINC000422971555 387820628 /nfs/dbraw/zinc/82/06/28/387820628.db2.gz JBVKFYQMZAFVDD-NSHDSACASA-N 2 1 249.358 1.840 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422974471 387823118 /nfs/dbraw/zinc/82/31/18/387823118.db2.gz RCEZBMWNDJREJI-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422974471 387823123 /nfs/dbraw/zinc/82/31/23/387823123.db2.gz RCEZBMWNDJREJI-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422974471 387823127 /nfs/dbraw/zinc/82/31/27/387823127.db2.gz RCEZBMWNDJREJI-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422975490 387823924 /nfs/dbraw/zinc/82/39/24/387823924.db2.gz GYKWMPOUQVJFKG-MFKMUULPSA-N 2 1 237.347 1.696 20 0 BDADMP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1c[nH+]ccc1N ZINC000422975244 387824019 /nfs/dbraw/zinc/82/40/19/387824019.db2.gz GGNSOIOGITZNPK-TVQRCGJNSA-N 2 1 235.331 1.306 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCN(C)c1ccccc1 ZINC000442765894 387835602 /nfs/dbraw/zinc/83/56/02/387835602.db2.gz KATQLMUJOFGHAI-UONOGXRCSA-N 2 1 247.386 1.792 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000423074112 387873425 /nfs/dbraw/zinc/87/34/25/387873425.db2.gz TZAFYIWXPKSMCI-GMTAPVOTSA-N 2 1 235.331 1.712 20 0 BDADMP C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423016941 387842218 /nfs/dbraw/zinc/84/22/18/387842218.db2.gz UYTZWNWYQXJXSB-XYJRDEOASA-N 2 1 224.348 1.284 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000423026876 387842766 /nfs/dbraw/zinc/84/27/66/387842766.db2.gz CKGZBKAQRZFRGA-NNYUYHANSA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000423026876 387842770 /nfs/dbraw/zinc/84/27/70/387842770.db2.gz CKGZBKAQRZFRGA-NNYUYHANSA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)C1C[NH2+]C1 ZINC000423075353 387873743 /nfs/dbraw/zinc/87/37/43/387873743.db2.gz OGFVSQUXVRPMEV-NSHDSACASA-N 2 1 245.370 1.658 20 0 BDADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423026419 387843614 /nfs/dbraw/zinc/84/36/14/387843614.db2.gz NMLBHMZKORLMPY-LPWJVIDDSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)c1nccs1)[C@@H]1CCC[NH2+]1 ZINC000423031449 387845804 /nfs/dbraw/zinc/84/58/04/387845804.db2.gz DJSBVVVSPLCRML-AXFHLTTASA-N 2 1 239.388 1.977 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000643459655 387850124 /nfs/dbraw/zinc/85/01/24/387850124.db2.gz LMWZHLLJFVNWNU-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423037079 387850968 /nfs/dbraw/zinc/85/09/68/387850968.db2.gz MGYAPQRJSQJRQL-CHWSQXEVSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423038021 387851295 /nfs/dbraw/zinc/85/12/95/387851295.db2.gz XOARGAKBTHSDTN-DGAVXFQQSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000423040519 387853998 /nfs/dbraw/zinc/85/39/98/387853998.db2.gz UKRFGFNMIOFQCC-HZSPNIEDSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000423042898 387855487 /nfs/dbraw/zinc/85/54/87/387855487.db2.gz MPDLCNNFOHUOAG-UPJWGTAASA-N 2 1 226.364 1.533 20 0 BDADMP Cc1cncc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193606518 387857999 /nfs/dbraw/zinc/85/79/99/387857999.db2.gz GQELZNQQGPHKND-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP CCSCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193623298 387859333 /nfs/dbraw/zinc/85/93/33/387859333.db2.gz CCJANKOXFRSYAS-PHIMTYICSA-N 2 1 214.378 1.233 20 0 BDADMP CCSCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193623298 387859336 /nfs/dbraw/zinc/85/93/36/387859336.db2.gz CCJANKOXFRSYAS-PHIMTYICSA-N 2 1 214.378 1.233 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H](CCO)c1ccco1 ZINC000423051807 387861015 /nfs/dbraw/zinc/86/10/15/387861015.db2.gz PELCAMDGPNCKRH-SDDRHHMPSA-N 2 1 238.331 1.420 20 0 BDADMP CCOC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000423074318 387874450 /nfs/dbraw/zinc/87/44/50/387874450.db2.gz UNLZRUSTSZBQCE-YNEHKIRRSA-N 2 1 228.380 1.778 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423056677 387863556 /nfs/dbraw/zinc/86/35/56/387863556.db2.gz XXZIFNLGSPHXCL-OYGSNPQQSA-N 2 1 212.337 1.044 20 0 BDADMP CC[C@H](N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536260 387867983 /nfs/dbraw/zinc/86/79/83/387867983.db2.gz PIHKCBDVOVWVFS-AVGNSLFASA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000423062862 387868485 /nfs/dbraw/zinc/86/84/85/387868485.db2.gz UZIORZUYKMARHS-RXGFPQBGSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH2+]CCc1ccc(CO)cc1)[C@H]1CCC[NH2+]1 ZINC000643478233 387815017 /nfs/dbraw/zinc/81/50/17/387815017.db2.gz KBTNMXASZQEGSD-SWLSCSKDSA-N 2 1 248.370 1.452 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422970287 387818409 /nfs/dbraw/zinc/81/84/09/387818409.db2.gz FTVWDYSWKQFQAW-CFVMTHIKSA-N 2 1 248.370 1.698 20 0 BDADMP C[C@H]([NH2+]CCC1(O)CCC1)c1c[nH+]ccc1N ZINC000423113826 387895104 /nfs/dbraw/zinc/89/51/04/387895104.db2.gz ZHIBJEZZLJJYDE-JTQLQIEISA-N 2 1 235.331 1.450 20 0 BDADMP C1=CC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423098854 387886844 /nfs/dbraw/zinc/88/68/44/387886844.db2.gz SRPDWDMSBPPZTC-PBWFPOADSA-N 2 1 235.375 1.121 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1c[nH+]ccc1N ZINC000423102486 387888442 /nfs/dbraw/zinc/88/84/42/387888442.db2.gz FIGMIYLCCFYRTA-SRVKXCTJSA-N 2 1 249.358 1.817 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000423163803 387918090 /nfs/dbraw/zinc/91/80/90/387918090.db2.gz NKTHRJGSXGDNHW-MXWKQRLJSA-N 2 1 235.331 1.712 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000423120283 387901711 /nfs/dbraw/zinc/90/17/11/387901711.db2.gz GRQDVQFSFGNJHN-RCWTZXSCSA-N 2 1 200.301 1.465 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423126703 387904767 /nfs/dbraw/zinc/90/47/67/387904767.db2.gz SMFHBKLKEKXFBH-BZPMIXESSA-N 2 1 246.354 1.893 20 0 BDADMP C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000423126709 387905267 /nfs/dbraw/zinc/90/52/67/387905267.db2.gz SMFHBKLKEKXFBH-SGMGOOAPSA-N 2 1 246.354 1.893 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423125477 387905629 /nfs/dbraw/zinc/90/56/29/387905629.db2.gz QQCSRWJZINVWKG-CHWSQXEVSA-N 3 1 229.412 1.824 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423125477 387905633 /nfs/dbraw/zinc/90/56/33/387905633.db2.gz QQCSRWJZINVWKG-CHWSQXEVSA-N 3 1 229.412 1.824 20 0 BDADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423130802 387907675 /nfs/dbraw/zinc/90/76/75/387907675.db2.gz ZDVXXGSDMJEHOO-VXGBXAGGSA-N 2 1 248.374 1.365 20 0 BDADMP C[C@H]([NH2+][C@H](CO)CC1CCC1)[C@H]1CCC[NH2+]1 ZINC000423135801 387914013 /nfs/dbraw/zinc/91/40/13/387914013.db2.gz ULHAEWJVCDEZGN-WCFLWFBJSA-N 2 1 226.364 1.268 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423163834 387922237 /nfs/dbraw/zinc/92/22/37/387922237.db2.gz NPAMZXZWMOLLCO-JSGCOSHPSA-N 3 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C(F)F ZINC000423145194 387922835 /nfs/dbraw/zinc/92/28/35/387922835.db2.gz JNBMVEDBHRBQCB-IUCAKERBSA-N 2 1 224.295 1.374 20 0 BDADMP CCC[C@@H](C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000423150480 387928366 /nfs/dbraw/zinc/92/83/66/387928366.db2.gz ZDNOJDAWJRIZTN-XQQFMLRXSA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H](O)CC ZINC000423167101 387952189 /nfs/dbraw/zinc/95/21/89/387952189.db2.gz WKPXFHTVEWVPRO-QCNOEVLYSA-N 2 1 214.353 1.266 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000424285568 387952775 /nfs/dbraw/zinc/95/27/75/387952775.db2.gz FWVSTHNCCWIUIJ-JHJVBQTASA-N 2 1 225.380 1.236 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423167286 387953154 /nfs/dbraw/zinc/95/31/54/387953154.db2.gz RYCMPLGOPNKDII-FVCCEPFGSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000423170066 387954591 /nfs/dbraw/zinc/95/45/91/387954591.db2.gz XIGHXPVPVCCBGX-SCUASFONSA-N 2 1 234.343 1.058 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1c[nH+]ccc1N ZINC000423169882 387954607 /nfs/dbraw/zinc/95/46/07/387954607.db2.gz WUQXEOGYGKAPNF-GMTAPVOTSA-N 2 1 235.331 1.712 20 0 BDADMP COCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCCC1 ZINC000423159200 387939415 /nfs/dbraw/zinc/93/94/15/387939415.db2.gz FNHHQINCZBUGCE-QWHCGFSZSA-N 2 1 240.391 1.781 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOC)[C@H](C)C1 ZINC000158235339 387942456 /nfs/dbraw/zinc/94/24/56/387942456.db2.gz DPRWJBNIKFFRSV-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP COc1cccnc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423162067 387943366 /nfs/dbraw/zinc/94/33/66/387943366.db2.gz KEXJZZHYFRDZRH-VHSXEESVSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162811 387944874 /nfs/dbraw/zinc/94/48/74/387944874.db2.gz QGBOLVFYZHZWJJ-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162811 387944878 /nfs/dbraw/zinc/94/48/78/387944878.db2.gz QGBOLVFYZHZWJJ-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP CC/C=C/C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423162934 387944971 /nfs/dbraw/zinc/94/49/71/387944971.db2.gz UYOSPZWQZBTIEQ-SZRIJTSKSA-N 2 1 238.375 1.699 20 0 BDADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000392255636 387947027 /nfs/dbraw/zinc/94/70/27/387947027.db2.gz XNLNEQZHGCZSSV-UHFFFAOYSA-N 2 1 247.342 1.442 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000423166716 387950205 /nfs/dbraw/zinc/95/02/05/387950205.db2.gz VYFYYFWGQGVNBU-JQWIXIFHSA-N 2 1 237.347 1.844 20 0 BDADMP COCCCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282682 387950422 /nfs/dbraw/zinc/95/04/22/387950422.db2.gz AAKCGKQNLNXJND-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000245597163 387964599 /nfs/dbraw/zinc/96/45/99/387964599.db2.gz HTLFEPKSNCURGM-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000245597163 387964602 /nfs/dbraw/zinc/96/46/02/387964602.db2.gz HTLFEPKSNCURGM-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CCCO1 ZINC000245597163 387964606 /nfs/dbraw/zinc/96/46/06/387964606.db2.gz HTLFEPKSNCURGM-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423177504 387964833 /nfs/dbraw/zinc/96/48/33/387964833.db2.gz AUYOGBHKKWYXRT-QNWHQSFQSA-N 2 1 236.359 1.286 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC2([NH3+])CCCCC2)C1 ZINC000423179879 387966701 /nfs/dbraw/zinc/96/67/01/387966701.db2.gz MRUGVSCJBKOMFX-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1C[C@@H](C)[C@@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000423179879 387966704 /nfs/dbraw/zinc/96/67/04/387966704.db2.gz MRUGVSCJBKOMFX-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH2+]CCc1cnc(C)cn1)[C@@H]1CCC[NH2+]1 ZINC000423170808 387957232 /nfs/dbraw/zinc/95/72/32/387957232.db2.gz YXRRQYYAHYQRIJ-KBPBESRZSA-N 2 1 248.374 1.448 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170881 387957685 /nfs/dbraw/zinc/95/76/85/387957685.db2.gz NAEWIVHUIZEIFZ-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170881 387957688 /nfs/dbraw/zinc/95/76/88/387957688.db2.gz NAEWIVHUIZEIFZ-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170881 387957693 /nfs/dbraw/zinc/95/76/93/387957693.db2.gz NAEWIVHUIZEIFZ-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP CC1(C)[C@H]([NH2+]CC[NH3+])C[C@H]1OCc1ccccc1 ZINC000423189223 387972837 /nfs/dbraw/zinc/97/28/37/387972837.db2.gz QPDCNXZGSJZGQZ-ZIAGYGMSSA-N 2 1 248.370 1.919 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192136 387977446 /nfs/dbraw/zinc/97/74/46/387977446.db2.gz PNQPUFPZAPUQDI-AVGNSLFASA-N 2 1 226.364 1.533 20 0 BDADMP CC(C)([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000424331258 387977607 /nfs/dbraw/zinc/97/76/07/387977607.db2.gz AAMFTMTUJXRWON-UHFFFAOYSA-N 2 1 232.287 1.389 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000423209274 387993751 /nfs/dbraw/zinc/99/37/51/387993751.db2.gz IVUVZGAPMPAKRE-NEPJUHHUSA-N 2 1 236.363 1.553 20 0 BDADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213253 387995989 /nfs/dbraw/zinc/99/59/89/387995989.db2.gz NEDRTFWPBCOYMZ-GWCFXTLKSA-N 2 1 248.374 1.744 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000453102370 387983404 /nfs/dbraw/zinc/98/34/04/387983404.db2.gz PKAJQLOFOKWWME-VOAKCMCISA-N 2 1 228.380 1.323 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423223357 388003678 /nfs/dbraw/zinc/00/36/78/388003678.db2.gz GDNHXIWRVJRMSK-NWDGAFQWSA-N 2 1 236.359 1.996 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423232320 388016751 /nfs/dbraw/zinc/01/67/51/388016751.db2.gz BWNKOHWGOWEWIM-YUELXQCFSA-N 2 1 247.386 1.616 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423236883 388021360 /nfs/dbraw/zinc/02/13/60/388021360.db2.gz OZHKXDFSRRAIDV-CMPLNLGQSA-N 2 1 208.305 1.552 20 0 BDADMP C[NH2+]CC[NH2+]C1CCC(COC)CC1 ZINC000423250586 388032801 /nfs/dbraw/zinc/03/28/01/388032801.db2.gz UPYNUQAIWRLHNV-UHFFFAOYSA-N 2 1 200.326 1.001 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCOC[C@@H]1C ZINC000423263177 388040449 /nfs/dbraw/zinc/04/04/49/388040449.db2.gz OABJCVWOQIECPE-QJPTWQEYSA-N 2 1 214.353 1.374 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1nccn1C ZINC000423265965 388043474 /nfs/dbraw/zinc/04/34/74/388043474.db2.gz BMGXMZLSBAWFCC-SRVKXCTJSA-N 2 1 236.363 1.588 20 0 BDADMP CCCCOCC[N@H+](C)CCC[NH2+]C ZINC000087472716 135142203 /nfs/dbraw/zinc/14/22/03/135142203.db2.gz CGQBIINGHAFPSK-UHFFFAOYSA-N 2 1 202.342 1.344 20 0 BDADMP CCCCOCC[N@@H+](C)CCC[NH2+]C ZINC000087472716 135142204 /nfs/dbraw/zinc/14/22/04/135142204.db2.gz CGQBIINGHAFPSK-UHFFFAOYSA-N 2 1 202.342 1.344 20 0 BDADMP CC[C@H](NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272072 388050900 /nfs/dbraw/zinc/05/09/00/388050900.db2.gz JQWOEWFHGFNGRR-IHRRRGAJSA-N 2 1 239.407 1.496 20 0 BDADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccncc1 ZINC000423281767 388063131 /nfs/dbraw/zinc/06/31/31/388063131.db2.gz BOQDTSGPLWIWKA-LLVKDONJSA-N 2 1 207.321 1.860 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423283271 388064867 /nfs/dbraw/zinc/06/48/67/388064867.db2.gz FCVICCMNIYPKNM-OLZOCXBDSA-N 2 1 239.407 1.720 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000423283104 388065641 /nfs/dbraw/zinc/06/56/41/388065641.db2.gz XDLKNMKIXXODOT-NWDGAFQWSA-N 2 1 221.348 1.896 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccncc1 ZINC000423284482 388066926 /nfs/dbraw/zinc/06/69/26/388066926.db2.gz YBNZRIRIKDSYAP-JQWIXIFHSA-N 2 1 207.321 1.716 20 0 BDADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccncc1 ZINC000423285503 388068521 /nfs/dbraw/zinc/06/85/21/388068521.db2.gz YIYBDVVMZQWEAW-QWHCGFSZSA-N 2 1 219.332 1.860 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402159 388073921 /nfs/dbraw/zinc/07/39/21/388073921.db2.gz NFHWAJPWTHVYBZ-RYUDHWBXSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453419319 388080020 /nfs/dbraw/zinc/08/00/20/388080020.db2.gz YSEQYSZMHVSOKA-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000084565846 388080456 /nfs/dbraw/zinc/08/04/56/388080456.db2.gz IKZGADBIPFOKLP-UHFFFAOYSA-N 2 1 246.354 1.805 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000447584670 388081194 /nfs/dbraw/zinc/08/11/94/388081194.db2.gz GPPPMNJJMCTWBZ-RKFYDKJMSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000447584670 388081196 /nfs/dbraw/zinc/08/11/96/388081196.db2.gz GPPPMNJJMCTWBZ-RKFYDKJMSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000447584670 388081201 /nfs/dbraw/zinc/08/12/01/388081201.db2.gz GPPPMNJJMCTWBZ-RKFYDKJMSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000447584670 388081204 /nfs/dbraw/zinc/08/12/04/388081204.db2.gz GPPPMNJJMCTWBZ-RKFYDKJMSA-N 2 1 237.391 1.151 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000085381145 388086291 /nfs/dbraw/zinc/08/62/91/388086291.db2.gz LTJRMXVYZKUHRN-OLZOCXBDSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1cn[nH]c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453602530 388090979 /nfs/dbraw/zinc/09/09/79/388090979.db2.gz WNZOAVCQNLHKDG-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453602530 388090980 /nfs/dbraw/zinc/09/09/80/388090980.db2.gz WNZOAVCQNLHKDG-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453602530 388090982 /nfs/dbraw/zinc/09/09/82/388090982.db2.gz WNZOAVCQNLHKDG-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP COc1ccc2c(c1)[C@@H]([NH2+]CC[NH3+])CCC2 ZINC000086119231 388100347 /nfs/dbraw/zinc/10/03/47/388100347.db2.gz NGGSPDONDKEHET-ZDUSSCGKSA-N 2 1 220.316 1.621 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336661405 388103941 /nfs/dbraw/zinc/10/39/41/388103941.db2.gz JYSYGKRGQFUYRP-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@H](Cn1cncn1)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423267520 388045782 /nfs/dbraw/zinc/04/57/82/388045782.db2.gz TWHVZEMSLOQNRH-VXGBXAGGSA-N 2 1 239.367 1.020 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1C(C)(C)C1(C)C ZINC000446969921 388045946 /nfs/dbraw/zinc/04/59/46/388045946.db2.gz SHNZJCKFNLWREV-QWRGUYRKSA-N 2 1 242.407 1.569 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000488444456 388179505 /nfs/dbraw/zinc/17/95/05/388179505.db2.gz HTPACOBWSKPWFF-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H](Cc1[nH]cc[nH+]1)OCC1CC[NH2+]CC1 ZINC000646070840 388136877 /nfs/dbraw/zinc/13/68/77/388136877.db2.gz CHKQASFTPLVIPV-JTQLQIEISA-N 2 1 223.320 1.357 20 0 BDADMP CCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103790 388142974 /nfs/dbraw/zinc/14/29/74/388142974.db2.gz OTHIATUDXNSPEH-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP CCSCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261527979 135152921 /nfs/dbraw/zinc/15/29/21/135152921.db2.gz IJDMYIABWSOESS-NSHDSACASA-N 2 1 214.378 1.425 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449663439 388250766 /nfs/dbraw/zinc/25/07/66/388250766.db2.gz AKLMUEMEOALXEI-UHFFFAOYSA-N 2 1 247.342 1.570 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000166661241 388255025 /nfs/dbraw/zinc/25/50/25/388255025.db2.gz OAXZFQPDYBHHGP-VHSXEESVSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000166661241 388255027 /nfs/dbraw/zinc/25/50/27/388255027.db2.gz OAXZFQPDYBHHGP-VHSXEESVSA-N 2 1 225.361 1.702 20 0 BDADMP CC[C@](C)(C[NH2+]CCn1cc[nH+]c1C)OC ZINC000322984523 388257650 /nfs/dbraw/zinc/25/76/50/388257650.db2.gz ZYRQUNUCXOMBEX-GFCCVEGCSA-N 2 1 225.336 1.596 20 0 BDADMP C[C@@H](CCC[NH3+])NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000449574039 388236140 /nfs/dbraw/zinc/23/61/40/388236140.db2.gz VGLWZLWOUDXBMN-SDDRHHMPSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@H]1[NH3+] ZINC000261528609 135154622 /nfs/dbraw/zinc/15/46/22/135154622.db2.gz MQXPNUCEMJRQNO-KXUCPTDWSA-N 2 1 200.351 1.019 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CC[C@@](O)(C(F)F)C1 ZINC000451426028 388272406 /nfs/dbraw/zinc/27/24/06/388272406.db2.gz HTXYRYPECDNROV-JQWIXIFHSA-N 2 1 248.317 1.173 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000451426028 388272408 /nfs/dbraw/zinc/27/24/08/388272408.db2.gz HTXYRYPECDNROV-JQWIXIFHSA-N 2 1 248.317 1.173 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000451426028 388272409 /nfs/dbraw/zinc/27/24/09/388272409.db2.gz HTXYRYPECDNROV-JQWIXIFHSA-N 2 1 248.317 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451426028 388272411 /nfs/dbraw/zinc/27/24/11/388272411.db2.gz HTXYRYPECDNROV-JQWIXIFHSA-N 2 1 248.317 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451426028 388272412 /nfs/dbraw/zinc/27/24/12/388272412.db2.gz HTXYRYPECDNROV-JQWIXIFHSA-N 2 1 248.317 1.173 20 0 BDADMP CC[C@@H](C)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276646442 388350996 /nfs/dbraw/zinc/35/09/96/388350996.db2.gz LRKXHMQRCWUHNM-MNOVXSKESA-N 2 1 209.337 1.987 20 0 BDADMP COC[C@H](C)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000163374174 388360972 /nfs/dbraw/zinc/36/09/72/388360972.db2.gz LNQDPJAMFSSMKQ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP COc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000234883744 388361612 /nfs/dbraw/zinc/36/16/12/388361612.db2.gz DULSQTVJHMXLLP-NXEZZACHSA-N 2 1 208.305 1.693 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc[nH+]1 ZINC000646512640 388373659 /nfs/dbraw/zinc/37/36/59/388373659.db2.gz LNKJSKUWWCZPTD-NSHDSACASA-N 2 1 248.330 1.084 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572855499 388381403 /nfs/dbraw/zinc/38/14/03/388381403.db2.gz BJFOIOWIUKFJJS-MCIONIFRSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316092867 388405981 /nfs/dbraw/zinc/40/59/81/388405981.db2.gz BMICRERHZPOPRA-KGYLQXTDSA-N 2 1 226.364 1.077 20 0 BDADMP CC[C@@H](C)[N@H+](CCO)CCCc1c[nH+]cn1C ZINC000313907193 388395705 /nfs/dbraw/zinc/39/57/05/388395705.db2.gz SOSHMEYQGZWPMM-GFCCVEGCSA-N 2 1 239.363 1.446 20 0 BDADMP CC[C@@H](C)[N@@H+](CCO)CCCc1c[nH+]cn1C ZINC000313907193 388395707 /nfs/dbraw/zinc/39/57/07/388395707.db2.gz SOSHMEYQGZWPMM-GFCCVEGCSA-N 2 1 239.363 1.446 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300825246 388396172 /nfs/dbraw/zinc/39/61/72/388396172.db2.gz GSWHNBYKLKMRND-VHSXEESVSA-N 2 1 218.291 1.845 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300825246 388396173 /nfs/dbraw/zinc/39/61/73/388396173.db2.gz GSWHNBYKLKMRND-VHSXEESVSA-N 2 1 218.291 1.845 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631668437 388402697 /nfs/dbraw/zinc/40/26/97/388402697.db2.gz XTBNSAFVMPVUNF-UPJWGTAASA-N 2 1 228.380 1.610 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631668437 388402698 /nfs/dbraw/zinc/40/26/98/388402698.db2.gz XTBNSAFVMPVUNF-UPJWGTAASA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000322653810 388442986 /nfs/dbraw/zinc/44/29/86/388442986.db2.gz YGNCBULPZXMSTR-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334999003 388448405 /nfs/dbraw/zinc/44/84/05/388448405.db2.gz YYRBQZRCNVVTPW-AOOOYVTPSA-N 2 1 236.281 1.870 20 0 BDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CC1(F)CC1 ZINC000525985371 388449731 /nfs/dbraw/zinc/44/97/31/388449731.db2.gz TVXMLQSXJRXIID-GFCCVEGCSA-N 2 1 244.354 1.315 20 0 BDADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CC1(F)CC1 ZINC000525985372 388450208 /nfs/dbraw/zinc/45/02/08/388450208.db2.gz TVXMLQSXJRXIID-LBPRGKRZSA-N 2 1 244.354 1.315 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000336345882 388457246 /nfs/dbraw/zinc/45/72/46/388457246.db2.gz HDHWVJXYTVQFAI-CABCVRRESA-N 3 1 249.402 1.465 20 0 BDADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000336345882 388457249 /nfs/dbraw/zinc/45/72/49/388457249.db2.gz HDHWVJXYTVQFAI-CABCVRRESA-N 3 1 249.402 1.465 20 0 BDADMP C[NH+]1CC=C(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336345882 388457252 /nfs/dbraw/zinc/45/72/52/388457252.db2.gz HDHWVJXYTVQFAI-CABCVRRESA-N 3 1 249.402 1.465 20 0 BDADMP COCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397350027 388460961 /nfs/dbraw/zinc/46/09/61/388460961.db2.gz ZQSUFYQGTVFYBI-UTUOFQBUSA-N 2 1 214.353 1.328 20 0 BDADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336712672 388466738 /nfs/dbraw/zinc/46/67/38/388466738.db2.gz SSWZVZXVPQVRDE-SDDRHHMPSA-N 2 1 246.420 1.173 20 0 BDADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336712672 388466741 /nfs/dbraw/zinc/46/67/41/388466741.db2.gz SSWZVZXVPQVRDE-SDDRHHMPSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000397486141 388474491 /nfs/dbraw/zinc/47/44/91/388474491.db2.gz UZXYSUQWDZDFKS-MBNYWOFBSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCC2)CC[N@H+]1C ZINC000316335370 388410398 /nfs/dbraw/zinc/41/03/98/388410398.db2.gz GWFZXTGRIIWQPO-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000296603792 388425216 /nfs/dbraw/zinc/42/52/16/388425216.db2.gz YRRBMDDBZCTCNG-CYBMUJFWSA-N 2 1 245.370 1.964 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@H](C)C1 ZINC000167042798 388437582 /nfs/dbraw/zinc/43/75/82/388437582.db2.gz RBHQNCPZKRRJDY-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC2)[C@H](C)C1 ZINC000178308642 388498465 /nfs/dbraw/zinc/49/84/65/388498465.db2.gz VRHPDRLFQSSWEN-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCCC2)[C@H](C)C1 ZINC000178308642 388498467 /nfs/dbraw/zinc/49/84/67/388498467.db2.gz VRHPDRLFQSSWEN-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCCC2)[C@H](C)C1 ZINC000178308642 388498469 /nfs/dbraw/zinc/49/84/69/388498469.db2.gz VRHPDRLFQSSWEN-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000397800446 388500634 /nfs/dbraw/zinc/50/06/34/388500634.db2.gz WCJJSXUQVIGSTF-RFQIPJPRSA-N 2 1 242.407 1.713 20 0 BDADMP COC(=O)CC1(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000520833201 388515064 /nfs/dbraw/zinc/51/50/64/388515064.db2.gz OUGMBFJOZHISFW-GHMZBOCLSA-N 2 1 240.347 1.141 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347682140 388524683 /nfs/dbraw/zinc/52/46/83/388524683.db2.gz PCSMCXMNDAHVGM-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000356670323 388550172 /nfs/dbraw/zinc/55/01/72/388550172.db2.gz FVJKSZYKLOVAGQ-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000379221206 388599797 /nfs/dbraw/zinc/59/97/97/388599797.db2.gz PVBSCTATORFXQW-GXTWGEPZSA-N 2 1 234.343 1.655 20 0 BDADMP c1cn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C2CC2)n1 ZINC000530129886 388614122 /nfs/dbraw/zinc/61/41/22/388614122.db2.gz QAABUSHZQMXWHE-BETUJISGSA-N 2 1 247.342 1.624 20 0 BDADMP c1cn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C2CC2)n1 ZINC000530129886 388614124 /nfs/dbraw/zinc/61/41/24/388614124.db2.gz QAABUSHZQMXWHE-BETUJISGSA-N 2 1 247.342 1.624 20 0 BDADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000358248874 388554286 /nfs/dbraw/zinc/55/42/86/388554286.db2.gz IHSABZUOUVPOPD-HIFRSBDPSA-N 2 1 247.386 1.862 20 0 BDADMP COCCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000517698578 388557584 /nfs/dbraw/zinc/55/75/84/388557584.db2.gz RFHMIVXSPGKJOF-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP COCCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000517698578 388557586 /nfs/dbraw/zinc/55/75/86/388557586.db2.gz RFHMIVXSPGKJOF-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP COCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000517698578 388557588 /nfs/dbraw/zinc/55/75/88/388557588.db2.gz RFHMIVXSPGKJOF-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP COCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000517698578 388557590 /nfs/dbraw/zinc/55/75/90/388557590.db2.gz RFHMIVXSPGKJOF-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cccc(C)c1 ZINC000517575441 256828374 /nfs/dbraw/zinc/82/83/74/256828374.db2.gz AEYDLKBKAZDHNO-CQSZACIVSA-N 2 1 236.359 1.397 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cccc(C)c1 ZINC000517575441 256828377 /nfs/dbraw/zinc/82/83/77/256828377.db2.gz AEYDLKBKAZDHNO-CQSZACIVSA-N 2 1 236.359 1.397 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOCC)C1 ZINC000081516461 388580392 /nfs/dbraw/zinc/58/03/92/388580392.db2.gz IVEGWQXLZHABMS-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOCC)C1 ZINC000081516461 388580396 /nfs/dbraw/zinc/58/03/96/388580396.db2.gz IVEGWQXLZHABMS-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOCC)C1 ZINC000081516461 388580399 /nfs/dbraw/zinc/58/03/99/388580399.db2.gz IVEGWQXLZHABMS-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP C[N@H+]1CCN(CCC[NH+]2CCCC2)CC1(C)C ZINC000551040559 388620677 /nfs/dbraw/zinc/62/06/77/388620677.db2.gz MGVODINOFDTAPK-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)C[N@H+]1C1CC1 ZINC000530179946 388622770 /nfs/dbraw/zinc/62/27/70/388622770.db2.gz ZAEJYUAEVZIECD-DYEKYZERSA-N 2 1 249.402 1.486 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000125962495 388684260 /nfs/dbraw/zinc/68/42/60/388684260.db2.gz NIFRVSQNTRBHMY-GFCCVEGCSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000125962495 388684264 /nfs/dbraw/zinc/68/42/64/388684264.db2.gz NIFRVSQNTRBHMY-GFCCVEGCSA-N 2 1 248.374 1.302 20 0 BDADMP CC[C@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCC[NH2+]1 ZINC000530223303 388633663 /nfs/dbraw/zinc/63/36/63/388633663.db2.gz SZPMVRZPUZAAGQ-ZFQMDJOTSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccncc1 ZINC000530225431 388635990 /nfs/dbraw/zinc/63/59/90/388635990.db2.gz ZTFPFXJEBYTECP-ZYHUDNBSSA-N 2 1 205.305 1.137 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000530230668 388636470 /nfs/dbraw/zinc/63/64/70/388636470.db2.gz CINKJJBTLXCBGF-SECBINFHSA-N 2 1 206.280 1.716 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000530230668 388636474 /nfs/dbraw/zinc/63/64/74/388636474.db2.gz CINKJJBTLXCBGF-SECBINFHSA-N 2 1 206.280 1.716 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000530244509 388638715 /nfs/dbraw/zinc/63/87/15/388638715.db2.gz MAETXEIGKGDSJZ-WCQYABFASA-N 2 1 219.332 1.527 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2(C)C)CC[N@@H+]1C ZINC000328384389 388642507 /nfs/dbraw/zinc/64/25/07/388642507.db2.gz LNTYFJYJEYSXEK-UTUOFQBUSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2(C)C)CC[N@H+]1C ZINC000328384389 388642509 /nfs/dbraw/zinc/64/25/09/388642509.db2.gz LNTYFJYJEYSXEK-UTUOFQBUSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223287065 388649892 /nfs/dbraw/zinc/64/98/92/388649892.db2.gz VBRHIENIQIYFBW-IJLUTSLNSA-N 2 1 228.380 1.323 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223482851 388653202 /nfs/dbraw/zinc/65/32/02/388653202.db2.gz VJLQTRDDUNBMOP-SRVKXCTJSA-N 2 1 214.353 1.220 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC000247185801 388659857 /nfs/dbraw/zinc/65/98/57/388659857.db2.gz BMYLVIBLLSEFOK-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cscn1 ZINC000124198136 388661254 /nfs/dbraw/zinc/66/12/54/388661254.db2.gz HRVZGNMDGYFDEX-PWSUYJOCSA-N 2 1 239.388 1.615 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)CC[N@@H+]1C ZINC000251726097 388752700 /nfs/dbraw/zinc/75/27/00/388752700.db2.gz CFDCVPUVCOYHBM-WOPDTQHZSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)CC[N@H+]1C ZINC000251726097 388752705 /nfs/dbraw/zinc/75/27/05/388752705.db2.gz CFDCVPUVCOYHBM-WOPDTQHZSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000126177199 388690227 /nfs/dbraw/zinc/69/02/27/388690227.db2.gz QMVCRHJAVNNVQL-GXTWGEPZSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCN1C ZINC000126177199 388690229 /nfs/dbraw/zinc/69/02/29/388690229.db2.gz QMVCRHJAVNNVQL-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000552338806 388694712 /nfs/dbraw/zinc/69/47/12/388694712.db2.gz PYBUBPNGHAQMNQ-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000552338806 388694714 /nfs/dbraw/zinc/69/47/14/388694714.db2.gz PYBUBPNGHAQMNQ-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249082495 388707955 /nfs/dbraw/zinc/70/79/55/388707955.db2.gz DIQREXVGAWIWBR-NOOOWODRSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)CC[N@H+]1C ZINC000249114672 388709662 /nfs/dbraw/zinc/70/96/62/388709662.db2.gz RSXDMRQQRDXCFL-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249114645 388709904 /nfs/dbraw/zinc/70/99/04/388709904.db2.gz RULXVBHCVZSNAI-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000249188099 388711178 /nfs/dbraw/zinc/71/11/78/388711178.db2.gz MAFHMEBIIJDDJF-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP C[N@@H+](C[C@@H]1CCSC1)[C@@H]1CCC[NH2+]CC1 ZINC000226447312 388719388 /nfs/dbraw/zinc/71/93/88/388719388.db2.gz AULVOYLFWMYDLB-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP FC(F)OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000194036749 388721408 /nfs/dbraw/zinc/72/14/08/388721408.db2.gz YKICSOKLRNBIDQ-MNOVXSKESA-N 2 1 248.317 1.832 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000229936115 388804573 /nfs/dbraw/zinc/80/45/73/388804573.db2.gz HETXUOGAPBDYNE-TUAOUCFPSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000229936115 388804574 /nfs/dbraw/zinc/80/45/74/388804574.db2.gz HETXUOGAPBDYNE-TUAOUCFPSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nccs1 ZINC000252714540 388775661 /nfs/dbraw/zinc/77/56/61/388775661.db2.gz SFHXAKUBPBUYRE-WDEREUQCSA-N 2 1 239.388 1.615 20 0 BDADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccn(C)n1 ZINC000541743569 388865827 /nfs/dbraw/zinc/86/58/27/388865827.db2.gz LEEKUGFXCXIREU-LBPRGKRZSA-N 2 1 247.346 1.666 20 0 BDADMP C[C@H]1C[C@@H](NCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000129810902 388871674 /nfs/dbraw/zinc/87/16/74/388871674.db2.gz JJAIQDMKPHJXOE-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@@H]1C[C@H](NCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000129810253 388871712 /nfs/dbraw/zinc/87/17/12/388871712.db2.gz JJAIQDMKPHJXOE-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCOCC2CC2)CC[N@H+]1C ZINC000129821433 388872559 /nfs/dbraw/zinc/87/25/59/388872559.db2.gz OFSXUOFVNNYPLX-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000565166872 388920474 /nfs/dbraw/zinc/92/04/74/388920474.db2.gz VCGGDYGMGRQQPC-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC(C)(C)C1 ZINC000565166872 388920479 /nfs/dbraw/zinc/92/04/79/388920479.db2.gz VCGGDYGMGRQQPC-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000565166872 388920483 /nfs/dbraw/zinc/92/04/83/388920483.db2.gz VCGGDYGMGRQQPC-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC(C)(C)C1 ZINC000565166872 388920476 /nfs/dbraw/zinc/92/04/76/388920476.db2.gz VCGGDYGMGRQQPC-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000565166872 388920481 /nfs/dbraw/zinc/92/04/81/388920481.db2.gz VCGGDYGMGRQQPC-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226404 388928480 /nfs/dbraw/zinc/92/84/80/388928480.db2.gz KUNMWKTYXSPHSW-BFHYXJOUSA-N 3 1 239.407 1.720 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226404 388928478 /nfs/dbraw/zinc/92/84/78/388928478.db2.gz KUNMWKTYXSPHSW-BFHYXJOUSA-N 3 1 239.407 1.720 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565226411 388928554 /nfs/dbraw/zinc/92/85/54/388928554.db2.gz KUNMWKTYXSPHSW-MELADBBJSA-N 3 1 239.407 1.720 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565226411 388928556 /nfs/dbraw/zinc/92/85/56/388928556.db2.gz KUNMWKTYXSPHSW-MELADBBJSA-N 3 1 239.407 1.720 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000565645373 388959581 /nfs/dbraw/zinc/95/95/81/388959581.db2.gz IJRWFIXJROVMRU-VHSXEESVSA-N 2 1 202.342 1.232 20 0 BDADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[NH3+])c1 ZINC000565357458 388939197 /nfs/dbraw/zinc/93/91/97/388939197.db2.gz YVRLBQVUQAKWKF-LLVKDONJSA-N 2 1 235.331 1.260 20 0 BDADMP CC[C@H]([NH2+]CCc1cc(C)no1)[C@@H]1CCC[NH2+]1 ZINC000566088750 388986972 /nfs/dbraw/zinc/98/69/72/388986972.db2.gz HBZOIGRWTWUNGT-STQMWFEESA-N 2 1 237.347 1.646 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)c1ccncc1)C[NH+](C)C ZINC000293637323 389016104 /nfs/dbraw/zinc/01/61/04/389016104.db2.gz KPNCXOSCIANZHQ-RYUDHWBXSA-N 2 1 221.348 1.930 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]CC2=CCCOC2)CC1 ZINC000271890523 389026331 /nfs/dbraw/zinc/02/63/31/389026331.db2.gz OMENWLOSIQCZNA-UHFFFAOYSA-N 2 1 222.332 1.185 20 0 BDADMP C[C@@H]([NH2+]CCCc1nccs1)[C@H]1CCC[NH2+]1 ZINC000400318883 533390567 /nfs/dbraw/zinc/39/05/67/533390567.db2.gz AKMDZKXJVMKCJY-GHMZBOCLSA-N 2 1 239.388 1.806 20 0 BDADMP COc1cccc(CCC[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000507314042 533457039 /nfs/dbraw/zinc/45/70/39/533457039.db2.gz ZAXKCAQPEBZIKL-ZDUSSCGKSA-N 2 1 234.343 1.579 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000333919618 132245511 /nfs/dbraw/zinc/24/55/11/132245511.db2.gz PGVUOEHOSHLMST-ZJUUUORDSA-N 2 1 243.314 1.004 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368450756 132283539 /nfs/dbraw/zinc/28/35/39/132283539.db2.gz SPJYAWHDVBNCRT-GXTWGEPZSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc(N2CCC([C@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000111612611 132401849 /nfs/dbraw/zinc/40/18/49/132401849.db2.gz DSHXNVLHHXTCLP-JTQLQIEISA-N 2 1 234.347 1.657 20 0 BDADMP Cc1[nH+]ccn1CCN(C)CC[N@H+](C)C1CC1 ZINC000351953420 134016365 /nfs/dbraw/zinc/01/63/65/134016365.db2.gz GJSULCAWSGJFCA-UHFFFAOYSA-N 2 1 236.363 1.218 20 0 BDADMP Cc1[nH+]ccn1CCN(C)CC[N@@H+](C)C1CC1 ZINC000351953420 134016366 /nfs/dbraw/zinc/01/63/66/134016366.db2.gz GJSULCAWSGJFCA-UHFFFAOYSA-N 2 1 236.363 1.218 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](CO)SC)CC1 ZINC000168016880 134155190 /nfs/dbraw/zinc/15/51/90/134155190.db2.gz QVNAVBFTIXGQMA-ZYHUDNBSSA-N 2 1 246.420 1.173 20 0 BDADMP CCc1cc(NC[C@H](C)C[NH2+]C)nc(C)[nH+]1 ZINC000168362532 134197756 /nfs/dbraw/zinc/19/77/56/134197756.db2.gz ABSFNJKZKLNPEC-SECBINFHSA-N 2 1 222.336 1.615 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)CC[N@H+]1C ZINC000221588401 134325373 /nfs/dbraw/zinc/32/53/73/134325373.db2.gz VBXRCEXIOIQSHG-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP CC[NH+]1CCC(NCCC[N@@H+](C)C(C)C)CC1 ZINC000221924657 134326708 /nfs/dbraw/zinc/32/67/08/134326708.db2.gz YZTGXHQIKIDCIO-UHFFFAOYSA-N 3 1 241.423 1.791 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222022229 134329072 /nfs/dbraw/zinc/32/90/72/134329072.db2.gz UKNTWFIVPHQNNZ-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC1CC[NH+](CC)CC1 ZINC000223096074 134336225 /nfs/dbraw/zinc/33/62/25/134336225.db2.gz PHISBFDRXCTTIZ-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000224388150 134346430 /nfs/dbraw/zinc/34/64/30/134346430.db2.gz UXMYIHMHGIMOHV-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@H](C)C1 ZINC000183829990 134356486 /nfs/dbraw/zinc/35/64/86/134356486.db2.gz QXJYHZGGAVSNPG-LPWJVIDDSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]CC1(C)COC1 ZINC000226329216 134360557 /nfs/dbraw/zinc/36/05/57/134360557.db2.gz KWOGPTFQGDFNKH-UHFFFAOYSA-N 2 1 214.353 1.343 20 0 BDADMP CO[C@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248419144 135008472 /nfs/dbraw/zinc/00/84/72/135008472.db2.gz KWIKCIIRNFSLRB-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248794321 135021788 /nfs/dbraw/zinc/02/17/88/135021788.db2.gz YNIJWNPZWLTDMU-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000249132933 135034718 /nfs/dbraw/zinc/03/47/18/135034718.db2.gz MEBWZHRODJBBNR-UJPOAAIJSA-N 2 1 240.391 1.464 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000250065473 135048237 /nfs/dbraw/zinc/04/82/37/135048237.db2.gz QDEIJOFPMLXHHU-RYUDHWBXSA-N 2 1 213.369 1.045 20 0 BDADMP CCN(C)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000250065473 135048239 /nfs/dbraw/zinc/04/82/39/135048239.db2.gz QDEIJOFPMLXHHU-RYUDHWBXSA-N 2 1 213.369 1.045 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250091024 135049837 /nfs/dbraw/zinc/04/98/37/135049837.db2.gz WTFLSUSSPXSQCJ-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CCN(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250091024 135049840 /nfs/dbraw/zinc/04/98/40/135049840.db2.gz WTFLSUSSPXSQCJ-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250628253 135057509 /nfs/dbraw/zinc/05/75/09/135057509.db2.gz ZMGNWTREFRXLQG-KGLIPLIRSA-N 2 1 248.374 1.179 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000250856229 135057849 /nfs/dbraw/zinc/05/78/49/135057849.db2.gz PIMFVWPUJYBDPW-MELADBBJSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250898942 135060579 /nfs/dbraw/zinc/06/05/79/135060579.db2.gz YMGCCXFCOQIXQJ-KBPBESRZSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250898942 135060581 /nfs/dbraw/zinc/06/05/81/135060581.db2.gz YMGCCXFCOQIXQJ-KBPBESRZSA-N 2 1 248.374 1.445 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(Cl)c1 ZINC000086435465 135084262 /nfs/dbraw/zinc/08/42/62/135084262.db2.gz YVZDAJYMUVEQBP-UHFFFAOYSA-N 2 1 242.750 1.747 20 0 BDADMP CCCCC[N@@H+](CCOCC[NH3+])C(C)C ZINC000086435540 135084371 /nfs/dbraw/zinc/08/43/71/135084371.db2.gz YLCBRODOIAARPC-UHFFFAOYSA-N 2 1 216.369 1.862 20 0 BDADMP CC[C@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000086435838 135084891 /nfs/dbraw/zinc/08/48/91/135084891.db2.gz WDQGHVDFVYEUCJ-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252191055 135086980 /nfs/dbraw/zinc/08/69/80/135086980.db2.gz UYBNLMMLNRWGKD-UPJWGTAASA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252191055 135086981 /nfs/dbraw/zinc/08/69/81/135086981.db2.gz UYBNLMMLNRWGKD-UPJWGTAASA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH3+] ZINC000086501012 135087230 /nfs/dbraw/zinc/08/72/30/135087230.db2.gz LNOBKBSHJOAXAE-VXGBXAGGSA-N 3 1 213.369 1.236 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564607 135091702 /nfs/dbraw/zinc/09/17/02/135091702.db2.gz YDBSNLVOTKQDKL-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564607 135091704 /nfs/dbraw/zinc/09/17/04/135091704.db2.gz YDBSNLVOTKQDKL-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703248 135098076 /nfs/dbraw/zinc/09/80/76/135098076.db2.gz MDUIJXTUAGIJLC-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252709088 135098103 /nfs/dbraw/zinc/09/81/03/135098103.db2.gz BYFRJQGZPSPSDW-YVECIDJPSA-N 2 1 228.380 1.466 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730925 135104061 /nfs/dbraw/zinc/10/40/61/135104061.db2.gz NMKKRVILNCXHMV-UTUOFQBUSA-N 2 1 228.405 1.954 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000252838390 135111541 /nfs/dbraw/zinc/11/15/41/135111541.db2.gz AIHQDCGVYRSLOW-WCFLWFBJSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C)COC1 ZINC000087197227 135112384 /nfs/dbraw/zinc/11/23/84/135112384.db2.gz NOTFGIYFFXMXGK-GRYCIOLGSA-N 2 1 226.364 1.341 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252849330 135112889 /nfs/dbraw/zinc/11/28/89/135112889.db2.gz HBOCQKPTLQONLS-FIQHERPVSA-N 2 1 212.337 1.081 20 0 BDADMP CC(C)C[N@@H+](CCOCC[NH3+])C1CCCC1 ZINC000087286713 135119408 /nfs/dbraw/zinc/11/94/08/135119408.db2.gz YFKVULXKCDVWTM-UHFFFAOYSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000253196834 135123935 /nfs/dbraw/zinc/12/39/35/135123935.db2.gz UCYSVDWPLVMUDC-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000253196834 135123936 /nfs/dbraw/zinc/12/39/36/135123936.db2.gz UCYSVDWPLVMUDC-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)CCCO)CC1 ZINC000087358100 135124329 /nfs/dbraw/zinc/12/43/29/135124329.db2.gz GULZESKSRGNAOL-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000258811941 135134728 /nfs/dbraw/zinc/13/47/28/135134728.db2.gz CPAAMCHTHUNDIQ-STQMWFEESA-N 2 1 204.317 1.964 20 0 BDADMP CN(C[C@@H]1CCC[NH2+]C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000258945229 135136215 /nfs/dbraw/zinc/13/62/15/135136215.db2.gz IEVYYTKYJDFZBR-KGLIPLIRSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257684175 135139284 /nfs/dbraw/zinc/13/92/84/135139284.db2.gz LUMKZHYVGSFQPB-CYBMUJFWSA-N 2 1 234.347 1.212 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257684175 135139285 /nfs/dbraw/zinc/13/92/85/135139285.db2.gz LUMKZHYVGSFQPB-CYBMUJFWSA-N 2 1 234.347 1.212 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257675208 135139363 /nfs/dbraw/zinc/13/93/63/135139363.db2.gz JNDIMTAKGWCTBL-LBPRGKRZSA-N 2 1 240.416 1.815 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257684176 135139407 /nfs/dbraw/zinc/13/94/07/135139407.db2.gz LUMKZHYVGSFQPB-ZDUSSCGKSA-N 2 1 234.347 1.212 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257684176 135139408 /nfs/dbraw/zinc/13/94/08/135139408.db2.gz LUMKZHYVGSFQPB-ZDUSSCGKSA-N 2 1 234.347 1.212 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257719340 135141030 /nfs/dbraw/zinc/14/10/30/135141030.db2.gz PICXSJUHUMHCNX-JSGCOSHPSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257719340 135141032 /nfs/dbraw/zinc/14/10/32/135141032.db2.gz PICXSJUHUMHCNX-JSGCOSHPSA-N 2 1 231.343 1.828 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1cccnc1 ZINC000087472792 135142232 /nfs/dbraw/zinc/14/22/32/135142232.db2.gz IUGUPZZKICNDHC-UHFFFAOYSA-N 2 1 207.321 1.165 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000087478941 135144091 /nfs/dbraw/zinc/14/40/91/135144091.db2.gz OEWDKMXAAWOSJK-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP C[N@@H+](C[C@H]1CCSC1)[C@H]1CCC[NH2+]CC1 ZINC000261529469 135155490 /nfs/dbraw/zinc/15/54/90/135155490.db2.gz AULVOYLFWMYDLB-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CCSCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261529966 135156442 /nfs/dbraw/zinc/15/64/42/135156442.db2.gz WJNFIHNZNATSAA-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261529966 135156443 /nfs/dbraw/zinc/15/64/43/135156443.db2.gz WJNFIHNZNATSAA-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncs3)C[C@H]12 ZINC000261529646 135156982 /nfs/dbraw/zinc/15/69/82/135156982.db2.gz BGDUTHWUCFHKPQ-DVVUODLYSA-N 2 1 223.345 1.312 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]12 ZINC000261529646 135156983 /nfs/dbraw/zinc/15/69/83/135156983.db2.gz BGDUTHWUCFHKPQ-DVVUODLYSA-N 2 1 223.345 1.312 20 0 BDADMP Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)nc(C)[nH+]1 ZINC000261530589 135158522 /nfs/dbraw/zinc/15/85/22/135158522.db2.gz CSYRVRRZSCLXJD-SCZZXKLOSA-N 2 1 206.293 1.019 20 0 BDADMP CCC1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCOCC1 ZINC000261531497 135160602 /nfs/dbraw/zinc/16/06/02/135160602.db2.gz GTNFGTJRIAUSDF-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H]([NH3+])C2)CCOCC1 ZINC000261531497 135160603 /nfs/dbraw/zinc/16/06/03/135160603.db2.gz GTNFGTJRIAUSDF-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261531697 135160804 /nfs/dbraw/zinc/16/08/04/135160804.db2.gz HNCOLRYTGPZFEX-TUAOUCFPSA-N 2 1 226.389 1.423 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000261532082 135161545 /nfs/dbraw/zinc/16/15/45/135161545.db2.gz JAQWPZSOUAWLQS-ZWNOBZJWSA-N 2 1 204.317 1.953 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000261532082 135161546 /nfs/dbraw/zinc/16/15/46/135161546.db2.gz JAQWPZSOUAWLQS-ZWNOBZJWSA-N 2 1 204.317 1.953 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000261532740 135163178 /nfs/dbraw/zinc/16/31/78/135163178.db2.gz DMCQVHFLWACOOH-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000261534102 135166153 /nfs/dbraw/zinc/16/61/53/135166153.db2.gz NBDJCEAGCSTTJY-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@H+](CCc1cccs1)C[C@@H](C)[NH3+] ZINC000261535957 135170539 /nfs/dbraw/zinc/17/05/39/135170539.db2.gz PUXXKEMNIBUNQQ-SNVBAGLBSA-N 2 1 212.362 1.960 20 0 BDADMP CC[N@@H+](CCc1cccs1)C[C@@H](C)[NH3+] ZINC000261535957 135170541 /nfs/dbraw/zinc/17/05/41/135170541.db2.gz PUXXKEMNIBUNQQ-SNVBAGLBSA-N 2 1 212.362 1.960 20 0 BDADMP CC1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000261535665 135170627 /nfs/dbraw/zinc/17/06/27/135170627.db2.gz OYYUQVNZQXIDMZ-ZDUSSCGKSA-N 2 1 208.349 1.862 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261537853 135175072 /nfs/dbraw/zinc/17/50/72/135175072.db2.gz WLOKXUNHFYPQAR-SRVKXCTJSA-N 2 1 212.337 1.081 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261538079 135175296 /nfs/dbraw/zinc/17/52/96/135175296.db2.gz XJKWQILQZPZPGK-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261538256 135175383 /nfs/dbraw/zinc/17/53/83/135175383.db2.gz XOOKIDVEOIXBTD-RKDXNWHRSA-N 2 1 222.254 1.623 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261538256 135175384 /nfs/dbraw/zinc/17/53/84/135175384.db2.gz XOOKIDVEOIXBTD-RKDXNWHRSA-N 2 1 222.254 1.623 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261540426 135179118 /nfs/dbraw/zinc/17/91/18/135179118.db2.gz ADFMASSMHUHMNF-CABCVRRESA-N 2 1 230.355 1.913 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000261540952 135179733 /nfs/dbraw/zinc/17/97/33/135179733.db2.gz ARTUXYJVRKYLDA-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000261540952 135179734 /nfs/dbraw/zinc/17/97/34/135179734.db2.gz ARTUXYJVRKYLDA-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CC[NH+](C)C2)CC[NH2+]1 ZINC000261541889 135182077 /nfs/dbraw/zinc/18/20/77/135182077.db2.gz MACGMSFOEGFVPY-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[NH+](C)C[C@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000261541889 135182079 /nfs/dbraw/zinc/18/20/79/135182079.db2.gz MACGMSFOEGFVPY-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[NH+](C)C[C@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000261541889 135182081 /nfs/dbraw/zinc/18/20/81/135182081.db2.gz MACGMSFOEGFVPY-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCN(C)C2)CC[NH2+]1 ZINC000261541889 135182083 /nfs/dbraw/zinc/18/20/83/135182083.db2.gz MACGMSFOEGFVPY-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCN(C)C2)CC[NH2+]1 ZINC000261541889 135182085 /nfs/dbraw/zinc/18/20/85/135182085.db2.gz MACGMSFOEGFVPY-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)OC(C)(C)C2)CC[NH2+]1 ZINC000261542873 135183192 /nfs/dbraw/zinc/18/31/92/135183192.db2.gz QZMPJHMGKKFISC-FRRDWIJNSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261544354 135185117 /nfs/dbraw/zinc/18/51/17/135185117.db2.gz DTTFGHRVXBJJHE-XQHKEYJVSA-N 2 1 231.343 1.812 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000261544206 135185519 /nfs/dbraw/zinc/18/55/19/135185519.db2.gz IOYLIOOFQFWZFS-ZDUSSCGKSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1nc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000084220494 135192508 /nfs/dbraw/zinc/19/25/08/135192508.db2.gz ZVHVWTICZJDEIM-ONGXEEELSA-N 2 1 225.361 1.669 20 0 BDADMP CCc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc(C)[nH+]1 ZINC000261553720 135192616 /nfs/dbraw/zinc/19/26/16/135192616.db2.gz ANCRDNABUGMMJS-AAEUAGOBSA-N 2 1 246.358 1.536 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216724 135192637 /nfs/dbraw/zinc/19/26/37/135192637.db2.gz QDEIJOFPMLXHHU-NEPJUHHUSA-N 2 1 213.369 1.045 20 0 BDADMP CCN(C)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216724 135192638 /nfs/dbraw/zinc/19/26/38/135192638.db2.gz QDEIJOFPMLXHHU-NEPJUHHUSA-N 2 1 213.369 1.045 20 0 BDADMP CC1(C)CCC(C[N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000261553895 135193935 /nfs/dbraw/zinc/19/39/35/135193935.db2.gz OLLFVHXHKORPNB-CYBMUJFWSA-N 2 1 240.391 1.862 20 0 BDADMP CC1(C)CCC(C[N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000261553895 135193937 /nfs/dbraw/zinc/19/39/37/135193937.db2.gz OLLFVHXHKORPNB-CYBMUJFWSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)(C)CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261554563 135194489 /nfs/dbraw/zinc/19/44/89/135194489.db2.gz OYOPGQGLPOBPMD-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CCc1nc(N2CCC[C@H](CC[NH3+])C2)cc(C)[nH+]1 ZINC000261556679 135196909 /nfs/dbraw/zinc/19/69/09/135196909.db2.gz CDNZXTRITKCWLU-GFCCVEGCSA-N 2 1 248.374 1.913 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557184 135197562 /nfs/dbraw/zinc/19/75/62/135197562.db2.gz RMKGOUANGOQELV-CHWSQXEVSA-N 2 1 232.327 1.434 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557184 135197563 /nfs/dbraw/zinc/19/75/63/135197563.db2.gz RMKGOUANGOQELV-CHWSQXEVSA-N 2 1 232.327 1.434 20 0 BDADMP C[C@@H]1CCSCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261557878 135198316 /nfs/dbraw/zinc/19/83/16/135198316.db2.gz XTXLFYRUZHDCGQ-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261562721 135204542 /nfs/dbraw/zinc/20/45/42/135204542.db2.gz GOUNZVCATUVSPF-DZGCQCFKSA-N 2 1 246.354 1.749 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261562721 135204544 /nfs/dbraw/zinc/20/45/44/135204544.db2.gz GOUNZVCATUVSPF-DZGCQCFKSA-N 2 1 246.354 1.749 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261563696 135205288 /nfs/dbraw/zinc/20/52/88/135205288.db2.gz XDSFVNQAFHQHOB-QWHCGFSZSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261563696 135205289 /nfs/dbraw/zinc/20/52/89/135205289.db2.gz XDSFVNQAFHQHOB-QWHCGFSZSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1csc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261568697 135210617 /nfs/dbraw/zinc/21/06/17/135210617.db2.gz FTFAOTHYTGHCBL-GARJFASQSA-N 2 1 237.372 1.621 20 0 BDADMP Cc1csc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261568697 135210619 /nfs/dbraw/zinc/21/06/19/135210619.db2.gz FTFAOTHYTGHCBL-GARJFASQSA-N 2 1 237.372 1.621 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]12 ZINC000261572819 135215344 /nfs/dbraw/zinc/21/53/44/135215344.db2.gz IIMMPEVUXFGDGF-YNEHKIRRSA-N 2 1 217.316 1.251 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2CN(c3cc[nH+]cc3Cl)C[C@@H]12 ZINC000261576623 135217793 /nfs/dbraw/zinc/21/77/93/135217793.db2.gz KLKFQWBHNHAJNN-IQJOONFLSA-N 2 1 237.734 1.909 20 0 BDADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261578608 135220022 /nfs/dbraw/zinc/22/00/22/135220022.db2.gz LUCVCGAZLABNHP-RYUDHWBXSA-N 2 1 217.316 1.123 20 0 BDADMP c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261578608 135220023 /nfs/dbraw/zinc/22/00/23/135220023.db2.gz LUCVCGAZLABNHP-RYUDHWBXSA-N 2 1 217.316 1.123 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261579701 135220454 /nfs/dbraw/zinc/22/04/54/135220454.db2.gz PQOGSUVXDXWWLJ-UBHSHLNASA-N 2 1 248.374 1.206 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC000261579616 135221032 /nfs/dbraw/zinc/22/10/32/135221032.db2.gz MKGXGBICJXZZQD-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000261579616 135221033 /nfs/dbraw/zinc/22/10/33/135221033.db2.gz MKGXGBICJXZZQD-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C(C1CC1)C1CC1 ZINC000261580676 135221673 /nfs/dbraw/zinc/22/16/73/135221673.db2.gz NCCREKUPYIEZKF-UHFFFAOYSA-N 2 1 212.337 1.082 20 0 BDADMP CCc1[nH+]ccn1[C@H]1CCCN(CC[NH3+])C1 ZINC000261582457 135223126 /nfs/dbraw/zinc/22/31/26/135223126.db2.gz OIKDJQONKYVWMO-NSHDSACASA-N 2 1 222.336 1.041 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000261596813 135235614 /nfs/dbraw/zinc/23/56/14/135235614.db2.gz YXAAPUBXMKZEAF-LBPRGKRZSA-N 2 1 212.337 1.084 20 0 BDADMP CC[C@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC000261596186 135236286 /nfs/dbraw/zinc/23/62/86/135236286.db2.gz YOYVULYDGFZLCO-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC000261596186 135236287 /nfs/dbraw/zinc/23/62/87/135236287.db2.gz YOYVULYDGFZLCO-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)(O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261545925 135238064 /nfs/dbraw/zinc/23/80/64/135238064.db2.gz GJWUQJAELZYUMH-OLZOCXBDSA-N 2 1 234.343 1.882 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261547000 135239397 /nfs/dbraw/zinc/23/93/97/135239397.db2.gz HQMYNTOTQNIQTD-OLZOCXBDSA-N 2 1 231.343 1.574 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261547000 135239398 /nfs/dbraw/zinc/23/93/98/135239398.db2.gz HQMYNTOTQNIQTD-OLZOCXBDSA-N 2 1 231.343 1.574 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261547395 135240397 /nfs/dbraw/zinc/24/03/97/135240397.db2.gz MHUNNKFTNARLAI-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261547395 135240399 /nfs/dbraw/zinc/24/03/99/135240399.db2.gz MHUNNKFTNARLAI-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@]1(C)COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261644353 135242215 /nfs/dbraw/zinc/24/22/15/135242215.db2.gz AOJSWMVHCPLJAA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@]1(C)COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261644353 135242217 /nfs/dbraw/zinc/24/22/17/135242217.db2.gz AOJSWMVHCPLJAA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCOCC2(CCC2)C1 ZINC000261644318 135242896 /nfs/dbraw/zinc/24/28/96/135242896.db2.gz ANBBETVFQIPFCX-UHFFFAOYSA-N 2 1 238.375 1.489 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H](C)[NH3+] ZINC000261687883 135246121 /nfs/dbraw/zinc/24/61/21/135246121.db2.gz BVQRRPNTOGTXAX-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1ccncc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000261780309 135252724 /nfs/dbraw/zinc/25/27/24/135252724.db2.gz FJZNCTYFFCSVIA-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP Cc1ccncc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000261780309 135252726 /nfs/dbraw/zinc/25/27/26/135252726.db2.gz FJZNCTYFFCSVIA-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP CC(C)C[C@@H]1CCC[N@@H+]1Cc1noc(CN)n1 ZINC000261796939 135253364 /nfs/dbraw/zinc/25/33/64/135253364.db2.gz QNKUWMRBLSJTFD-JTQLQIEISA-N 2 1 238.335 1.539 20 0 BDADMP CC(C)C[C@@H]1CCC[N@H+]1Cc1noc(CN)n1 ZINC000261796939 135253365 /nfs/dbraw/zinc/25/33/65/135253365.db2.gz QNKUWMRBLSJTFD-JTQLQIEISA-N 2 1 238.335 1.539 20 0 BDADMP CC(C)[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000261797708 135253478 /nfs/dbraw/zinc/25/34/78/135253478.db2.gz GQNHUTZXLCIDQK-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000261797708 135253479 /nfs/dbraw/zinc/25/34/79/135253479.db2.gz GQNHUTZXLCIDQK-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261827444 135255997 /nfs/dbraw/zinc/25/59/97/135255997.db2.gz IVWQYMLMGCGOSX-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261827442 135256354 /nfs/dbraw/zinc/25/63/54/135256354.db2.gz IVWQYMLMGCGOSX-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]1CC[N@@H+](C)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000261900371 135261696 /nfs/dbraw/zinc/26/16/96/135261696.db2.gz VWJACXDCKHZOKI-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1CC[N@@H+](C)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261900372 135261943 /nfs/dbraw/zinc/26/19/43/135261943.db2.gz VWJACXDCKHZOKI-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CN(CC[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000261903154 135262073 /nfs/dbraw/zinc/26/20/73/135262073.db2.gz WTSJXTINIWGWRF-HNNXBMFYSA-N 2 1 247.386 1.794 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)[C@@H](C)O1 ZINC000261921898 135263426 /nfs/dbraw/zinc/26/34/26/135263426.db2.gz KPMAJPRVFJVTON-IJLUTSLNSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@H](C)[N@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000261935952 135264177 /nfs/dbraw/zinc/26/41/77/135264177.db2.gz MBZPEDNCGVSZDU-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1C ZINC000261948673 135264906 /nfs/dbraw/zinc/26/49/06/135264906.db2.gz NQFIROXBAPMAOL-UHFFFAOYSA-N 2 1 234.343 1.927 20 0 BDADMP CCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000079054198 135268058 /nfs/dbraw/zinc/26/80/58/135268058.db2.gz OWRLYXWUMORUJS-GASCZTMLSA-N 2 1 230.355 1.900 20 0 BDADMP C[C@H]1[C@H](C)[N@@H+](CC2CC[NH2+]CC2)CCN1C ZINC000261975199 135268701 /nfs/dbraw/zinc/26/87/01/135268701.db2.gz QSIJKTDHNUASNU-RYUDHWBXSA-N 2 1 225.380 1.010 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262009410 135271977 /nfs/dbraw/zinc/27/19/77/135271977.db2.gz UZNGBRMZPFPEAL-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP CCC[C@@]1(CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262016173 135272898 /nfs/dbraw/zinc/27/28/98/135272898.db2.gz VROLVXUSWOCYQJ-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000262048859 135275541 /nfs/dbraw/zinc/27/55/41/135275541.db2.gz ZJUJMLVBIQROOB-ZDUSSCGKSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CC[NH2+]C1 ZINC000262042155 135275786 /nfs/dbraw/zinc/27/57/86/135275786.db2.gz PGVZXRZRNBGXBL-JSGCOSHPSA-N 2 1 248.374 1.589 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000262046566 135275921 /nfs/dbraw/zinc/27/59/21/135275921.db2.gz YZBGGKAOJAXBEZ-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP CC1(C)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000342571898 135290825 /nfs/dbraw/zinc/29/08/25/135290825.db2.gz FIDZXLUIBSTAKA-CYBMUJFWSA-N 2 1 240.391 1.611 20 0 BDADMP CCC1CC([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000342694906 135306014 /nfs/dbraw/zinc/30/60/14/135306014.db2.gz FWQJPJLBAATDJU-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C)CN(CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263022783 135327434 /nfs/dbraw/zinc/32/74/34/135327434.db2.gz QZPUUAUQROMHCE-UHFFFAOYSA-N 2 1 247.386 1.542 20 0 BDADMP Cn1cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334283652 135339497 /nfs/dbraw/zinc/33/94/97/135339497.db2.gz ZITVQUIGZJSEEV-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1cccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334283652 135339499 /nfs/dbraw/zinc/33/94/99/135339499.db2.gz ZITVQUIGZJSEEV-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1cccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334283652 135339501 /nfs/dbraw/zinc/33/95/01/135339501.db2.gz ZITVQUIGZJSEEV-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1cccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334283652 135339503 /nfs/dbraw/zinc/33/95/03/135339503.db2.gz ZITVQUIGZJSEEV-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000334287810 135339881 /nfs/dbraw/zinc/33/98/81/135339881.db2.gz YHKRRZQZEPGLQC-ZDUSSCGKSA-N 2 1 248.374 1.481 20 0 BDADMP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000306367317 135372624 /nfs/dbraw/zinc/37/26/24/135372624.db2.gz BRTVYMIGMKUFFW-GXSJLCMTSA-N 2 1 214.378 1.422 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299893953 135381064 /nfs/dbraw/zinc/38/10/64/135381064.db2.gz QWILHNZOHWUPLU-AVGNSLFASA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299893953 135381066 /nfs/dbraw/zinc/38/10/66/135381066.db2.gz QWILHNZOHWUPLU-AVGNSLFASA-N 2 1 224.348 1.097 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000344379372 135770082 /nfs/dbraw/zinc/77/00/82/135770082.db2.gz SRTOYKCYGKQOSN-UONOGXRCSA-N 2 1 249.358 1.739 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCOC2)C1)[C@H]1CC[NH2+]C1 ZINC000334783901 135811977 /nfs/dbraw/zinc/81/19/77/135811977.db2.gz DMSPJYNOFPQBCC-OLZOCXBDSA-N 2 1 224.348 1.098 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cncn2C)CCO1 ZINC000347744746 136010807 /nfs/dbraw/zinc/01/08/07/136010807.db2.gz HTSIGNSGPXIFSF-GFCCVEGCSA-N 2 1 223.320 1.073 20 0 BDADMP CC[C@@H]1CN(CCc2cncn2C)CCO1 ZINC000347744746 136010808 /nfs/dbraw/zinc/01/08/08/136010808.db2.gz HTSIGNSGPXIFSF-GFCCVEGCSA-N 2 1 223.320 1.073 20 0 BDADMP CC[C@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000348105959 136037011 /nfs/dbraw/zinc/03/70/11/136037011.db2.gz OWVRTGHPJDYQRP-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000348141632 136039154 /nfs/dbraw/zinc/03/91/54/136039154.db2.gz ZDFRSTGVUCLFPL-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000348145062 136039335 /nfs/dbraw/zinc/03/93/35/136039335.db2.gz CCUWWCMNLHUCGN-UWVGGRQHSA-N 2 1 218.291 1.714 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC(C[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000335348201 136067527 /nfs/dbraw/zinc/06/75/27/136067527.db2.gz DLOONKNKZZRPIG-BLYZHGLHSA-N 2 1 239.407 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](C2CCC(C[NH3+])CC2)C[C@@]1(C)CN ZINC000335348201 136067528 /nfs/dbraw/zinc/06/75/28/136067528.db2.gz DLOONKNKZZRPIG-BLYZHGLHSA-N 2 1 239.407 1.421 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC(C[NH3+])CC2)C[C@@]1(C)CN ZINC000335348201 136067529 /nfs/dbraw/zinc/06/75/29/136067529.db2.gz DLOONKNKZZRPIG-BLYZHGLHSA-N 2 1 239.407 1.421 20 0 BDADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccnn1C ZINC000348371790 136073615 /nfs/dbraw/zinc/07/36/15/136073615.db2.gz XNHARHLWBPKXNG-LBPRGKRZSA-N 2 1 236.363 1.336 20 0 BDADMP CC1(C[NH2+][C@H]2CCCCC[C@@H]2N)CC[NH2+]CC1 ZINC000335567219 136107723 /nfs/dbraw/zinc/10/77/23/136107723.db2.gz DUIIJKAFIHLXCX-STQMWFEESA-N 2 1 239.407 1.626 20 0 BDADMP [NH3+]CC[NH2+]C1CCc2ccccc2CC1 ZINC000335569410 136108524 /nfs/dbraw/zinc/10/85/24/136108524.db2.gz XOOMXCSXFUUBBY-UHFFFAOYSA-N 2 1 204.317 1.482 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(COC)CCC2)C1 ZINC000380230090 397833002 /nfs/dbraw/zinc/83/30/02/397833002.db2.gz XXPUHSJCQPQSLO-CYBMUJFWSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC(C)(C)C1)C1CC1 ZINC000310113068 397878501 /nfs/dbraw/zinc/87/85/01/397878501.db2.gz RYQKNZWPYNBZKZ-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC(C)(C)C1)C1CC1 ZINC000310113068 397878504 /nfs/dbraw/zinc/87/85/04/397878504.db2.gz RYQKNZWPYNBZKZ-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000310113068 397878507 /nfs/dbraw/zinc/87/85/07/397878507.db2.gz RYQKNZWPYNBZKZ-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000310113068 397878509 /nfs/dbraw/zinc/87/85/09/397878509.db2.gz RYQKNZWPYNBZKZ-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000449078312 397951576 /nfs/dbraw/zinc/95/15/76/397951576.db2.gz LVYSGETTXODVEH-VXGBXAGGSA-N 2 1 246.420 1.296 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C2CCC2)CC1 ZINC000649530951 397922148 /nfs/dbraw/zinc/92/21/48/397922148.db2.gz QHMSCMQXJZSLRS-CQSZACIVSA-N 2 1 237.391 1.251 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156882810 397926447 /nfs/dbraw/zinc/92/64/47/397926447.db2.gz CISAFUFOWDBYMA-KXNHARMFSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156882810 397926454 /nfs/dbraw/zinc/92/64/54/397926454.db2.gz CISAFUFOWDBYMA-KXNHARMFSA-N 2 1 214.353 1.482 20 0 BDADMP CC(C)[C@H]1C[NH+](C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649618314 398001093 /nfs/dbraw/zinc/00/10/93/398001093.db2.gz TUIPXCNGQGGTNO-ZIAGYGMSSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@H]1C[NH+](C)CCN1C[C@H]1CCC[N@H+]1C ZINC000649618314 398001096 /nfs/dbraw/zinc/00/10/96/398001096.db2.gz TUIPXCNGQGGTNO-ZIAGYGMSSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414824289 398045742 /nfs/dbraw/zinc/04/57/42/398045742.db2.gz QPMOQCDKLPMOLG-RQJABVFESA-N 3 1 239.407 1.495 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000383179184 398009898 /nfs/dbraw/zinc/00/98/98/398009898.db2.gz JLMVAPSKXCBWIW-IHRRRGAJSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000383179184 398009900 /nfs/dbraw/zinc/00/99/00/398009900.db2.gz JLMVAPSKXCBWIW-IHRRRGAJSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000383179184 398009904 /nfs/dbraw/zinc/00/99/04/398009904.db2.gz JLMVAPSKXCBWIW-IHRRRGAJSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000383179189 398010070 /nfs/dbraw/zinc/01/00/70/398010070.db2.gz JLMVAPSKXCBWIW-RDBSUJKOSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000383179189 398010074 /nfs/dbraw/zinc/01/00/74/398010074.db2.gz JLMVAPSKXCBWIW-RDBSUJKOSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000383179189 398010078 /nfs/dbraw/zinc/01/00/78/398010078.db2.gz JLMVAPSKXCBWIW-RDBSUJKOSA-N 2 1 240.391 1.562 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000414705538 398021151 /nfs/dbraw/zinc/02/11/51/398021151.db2.gz KMGFRADJNYXWSU-NSHDSACASA-N 2 1 249.362 1.210 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)[C@@H](C)C1 ZINC000649700275 398047980 /nfs/dbraw/zinc/04/79/80/398047980.db2.gz DZEUWCRBPCAUSY-HTVCTNPSSA-N 2 1 240.391 1.872 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414829649 398050494 /nfs/dbraw/zinc/05/04/94/398050494.db2.gz MYGJRIHPKATSQT-DTWKUNHWSA-N 2 1 224.270 1.917 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CC1 ZINC000414797580 398041530 /nfs/dbraw/zinc/04/15/30/398041530.db2.gz BGBFCIHAURNORW-HUUCEWRRSA-N 2 1 230.355 1.871 20 0 BDADMP CC[C@](C)([NH3+])c1cn(CCn2cc[nH+]c2C)nn1 ZINC000384140045 398070226 /nfs/dbraw/zinc/07/02/26/398070226.db2.gz DAOOXSJGDXHTQP-LBPRGKRZSA-N 2 1 248.334 1.067 20 0 BDADMP Cc1ccccc1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000086762926 398058891 /nfs/dbraw/zinc/05/88/91/398058891.db2.gz XHQDTJRJGCAWCH-ZDUSSCGKSA-N 2 1 204.317 1.489 20 0 BDADMP C[NH2+]CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062034025 398110538 /nfs/dbraw/zinc/11/05/38/398110538.db2.gz VFLGQTLTEVLOFD-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP C[N@@H+](C[C@@H]1CCOc2ccccc21)C1CC([NH3+])C1 ZINC000384849611 398111923 /nfs/dbraw/zinc/11/19/23/398111923.db2.gz BGKORUHYPVVYAI-HIFPTAJRSA-N 2 1 246.354 1.974 20 0 BDADMP CS[C@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC000294487138 398127706 /nfs/dbraw/zinc/12/77/06/398127706.db2.gz XYXMEHUGYFBWMQ-NSHDSACASA-N 2 1 225.361 1.629 20 0 BDADMP C[C@@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436379 398130275 /nfs/dbraw/zinc/13/02/75/398130275.db2.gz PGPQDISKVNFHKQ-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP COC[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)OC ZINC000662276182 487529205 /nfs/dbraw/zinc/52/92/05/487529205.db2.gz GPTJCRLJSXAPTL-STQMWFEESA-N 2 1 244.379 1.145 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000393734088 487579190 /nfs/dbraw/zinc/57/91/90/487579190.db2.gz ADGDNNDJXJZZFX-XQQFMLRXSA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000393734088 487579200 /nfs/dbraw/zinc/57/92/00/487579200.db2.gz ADGDNNDJXJZZFX-XQQFMLRXSA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000393734088 487579206 /nfs/dbraw/zinc/57/92/06/487579206.db2.gz ADGDNNDJXJZZFX-XQQFMLRXSA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336732791 167258388 /nfs/dbraw/zinc/25/83/88/167258388.db2.gz GEFNQHVLEVXUPE-AGIUHOORSA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336732791 167258394 /nfs/dbraw/zinc/25/83/94/167258394.db2.gz GEFNQHVLEVXUPE-AGIUHOORSA-N 2 1 228.380 1.872 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CCO1 ZINC000070356916 487590001 /nfs/dbraw/zinc/59/00/01/487590001.db2.gz OZQWIKWLHYHXBE-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP c1ccc2c(c1)CC([NH2+]C[C@H]1CCCC[NH2+]1)C2 ZINC000232459879 487596250 /nfs/dbraw/zinc/59/62/50/487596250.db2.gz FCKPSZXHJUKFSE-CQSZACIVSA-N 2 1 230.355 1.886 20 0 BDADMP CC[N@@H+](CCc1cncn1C)C[C@@H](C)OC ZINC000297659038 487603613 /nfs/dbraw/zinc/60/36/13/487603613.db2.gz NRJUCPYBAJWPKK-LLVKDONJSA-N 2 1 225.336 1.319 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662265667 409564851 /nfs/dbraw/zinc/56/48/51/409564851.db2.gz HSRPSJNJHFLTGY-PSASIEDQSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662265667 409564859 /nfs/dbraw/zinc/56/48/59/409564859.db2.gz HSRPSJNJHFLTGY-PSASIEDQSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662245752 409539451 /nfs/dbraw/zinc/53/94/51/409539451.db2.gz OGUJSTYOFSLLLO-ONGXEEELSA-N 2 1 223.320 1.542 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662245752 409539458 /nfs/dbraw/zinc/53/94/58/409539458.db2.gz OGUJSTYOFSLLLO-ONGXEEELSA-N 2 1 223.320 1.542 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C)C1 ZINC000178313332 487610317 /nfs/dbraw/zinc/61/03/17/487610317.db2.gz KNJSFKDHHQYPPF-RGDJUOJXSA-N 2 1 238.375 1.626 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 ZINC000308818061 409905294 /nfs/dbraw/zinc/90/52/94/409905294.db2.gz BNCWYDPRARZRJS-STQMWFEESA-N 2 1 208.349 1.847 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000663501604 410277779 /nfs/dbraw/zinc/27/77/79/410277779.db2.gz ABGLBLSBAJOEGJ-RWMBFGLXSA-N 3 1 227.396 1.480 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC[NH2+]C1 ZINC000650709722 410339196 /nfs/dbraw/zinc/33/91/96/410339196.db2.gz NVMDTCJVAXSAEX-MJBXVCDLSA-N 3 1 237.391 1.047 20 0 BDADMP C[C@@]1(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC[NH2+]C1 ZINC000650709722 410339200 /nfs/dbraw/zinc/33/92/00/410339200.db2.gz NVMDTCJVAXSAEX-MJBXVCDLSA-N 2 1 237.391 1.047 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000650739826 410372753 /nfs/dbraw/zinc/37/27/53/410372753.db2.gz AAHTXQZDZMUMGM-KBPBESRZSA-N 2 1 241.423 1.681 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000650739826 410372759 /nfs/dbraw/zinc/37/27/59/410372759.db2.gz AAHTXQZDZMUMGM-KBPBESRZSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000650739826 410372767 /nfs/dbraw/zinc/37/27/67/410372767.db2.gz AAHTXQZDZMUMGM-KBPBESRZSA-N 3 1 241.423 1.681 20 0 BDADMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCCCN1 ZINC000650747711 410387144 /nfs/dbraw/zinc/38/71/44/410387144.db2.gz GDLIMMRQFMZSLK-RYUDHWBXSA-N 2 1 225.380 1.236 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000650761073 410409798 /nfs/dbraw/zinc/40/97/98/410409798.db2.gz RKUGHEWZUGOGDH-WZRBSPASSA-N 2 1 226.364 1.532 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761553 410410470 /nfs/dbraw/zinc/41/04/70/410410470.db2.gz CCTNHXWCBYNPSN-UONOGXRCSA-N 2 1 239.407 1.626 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[C@H](C)[NH3+] ZINC000664718691 410620589 /nfs/dbraw/zinc/62/05/89/410620589.db2.gz IBSCLBBVPCTNTH-NSHDSACASA-N 2 1 243.395 1.350 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274007 410742886 /nfs/dbraw/zinc/74/28/86/410742886.db2.gz HPBLYSDYNDNDPI-UTLUCORTSA-N 2 1 232.318 1.865 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000665273840 410743803 /nfs/dbraw/zinc/74/38/03/410743803.db2.gz FLIVTRNSRDDYQT-UTUOFQBUSA-N 2 1 213.369 1.186 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000665273840 410743809 /nfs/dbraw/zinc/74/38/09/410743809.db2.gz FLIVTRNSRDDYQT-UTUOFQBUSA-N 2 1 213.369 1.186 20 0 BDADMP Cc1cnccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000395390828 410850661 /nfs/dbraw/zinc/85/06/61/410850661.db2.gz WNTHGCFEZIBAQU-CHWSQXEVSA-N 2 1 217.316 1.041 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396452294 410882782 /nfs/dbraw/zinc/88/27/82/410882782.db2.gz VPMJKHZLSSISNS-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP CC(C)[NH2+]CCN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000375596112 167104108 /nfs/dbraw/zinc/10/41/08/167104108.db2.gz JHCSXCAJCNYWGS-LBPRGKRZSA-N 2 1 236.363 1.587 20 0 BDADMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120646649 167120667 /nfs/dbraw/zinc/12/06/67/167120667.db2.gz CWTQSPRSZMXSTP-HNNXBMFYSA-N 2 1 248.370 1.751 20 0 BDADMP CC(C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370612631 167133792 /nfs/dbraw/zinc/13/37/92/167133792.db2.gz OQSJHGQNQCFOSL-MGPQQGTHSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370612631 167133796 /nfs/dbraw/zinc/13/37/96/167133796.db2.gz OQSJHGQNQCFOSL-MGPQQGTHSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000336677712 167391935 /nfs/dbraw/zinc/39/19/35/167391935.db2.gz QGYAWMPBCJDWMX-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1cnccc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000397549060 410925950 /nfs/dbraw/zinc/92/59/50/410925950.db2.gz YURMLEVCLOVTBB-OKILXGFUSA-N 2 1 231.343 1.084 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398190927 410947984 /nfs/dbraw/zinc/94/79/84/410947984.db2.gz WWISZZUELIIBHU-RISCZKNCSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398190927 410947994 /nfs/dbraw/zinc/94/79/94/410947994.db2.gz WWISZZUELIIBHU-RISCZKNCSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccnc1 ZINC000019958510 411072901 /nfs/dbraw/zinc/07/29/01/411072901.db2.gz OMGJXSWFISFWJT-LLVKDONJSA-N 2 1 207.321 1.684 20 0 BDADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000651762883 411142267 /nfs/dbraw/zinc/14/22/67/411142267.db2.gz VGIMCMWGDQSGPL-MJBXVCDLSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000651762883 411142268 /nfs/dbraw/zinc/14/22/68/411142268.db2.gz VGIMCMWGDQSGPL-MJBXVCDLSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCOC1 ZINC000651866156 411148180 /nfs/dbraw/zinc/14/81/80/411148180.db2.gz XBANSWKCVSTUJV-GFCCVEGCSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H](O)C[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000655948937 411161316 /nfs/dbraw/zinc/16/13/16/411161316.db2.gz INOPXPGNUPTHDH-GFCCVEGCSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000652151470 411162162 /nfs/dbraw/zinc/16/21/62/411162162.db2.gz UBURMMDOCYVZDW-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000300717281 411125331 /nfs/dbraw/zinc/12/53/31/411125331.db2.gz ONFOVAYUDWSOHL-WCQYABFASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC2CCCC2)CCO1 ZINC000300717281 411125334 /nfs/dbraw/zinc/12/53/34/411125334.db2.gz ONFOVAYUDWSOHL-WCQYABFASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2cccs2)C1 ZINC000401682199 411170111 /nfs/dbraw/zinc/17/01/11/411170111.db2.gz SRVNRDPIJYNXPO-GHMZBOCLSA-N 2 1 224.373 1.878 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222109 411175455 /nfs/dbraw/zinc/17/54/55/411175455.db2.gz FVVNBDAJHKZTAS-OLZOCXBDSA-N 2 1 230.396 1.977 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C2CC2)CC1 ZINC000653694426 411185749 /nfs/dbraw/zinc/18/57/49/411185749.db2.gz DTJUBMBJKGMTOB-AWEZNQCLSA-N 2 1 240.391 1.421 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656192621 411198771 /nfs/dbraw/zinc/19/87/71/411198771.db2.gz MCCCPNQIFGCSFY-PNKOWGENSA-N 3 1 223.364 1.129 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656193172 411199499 /nfs/dbraw/zinc/19/94/99/411199499.db2.gz WMLWPNDCSVZRLX-WYUUTHIRSA-N 3 1 211.353 1.116 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656198200 411203191 /nfs/dbraw/zinc/20/31/91/411203191.db2.gz MOSHYDYODLHDLB-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656198200 411203192 /nfs/dbraw/zinc/20/31/92/411203192.db2.gz MOSHYDYODLHDLB-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656198200 411203193 /nfs/dbraw/zinc/20/31/93/411203193.db2.gz MOSHYDYODLHDLB-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]1 ZINC000656200087 411204749 /nfs/dbraw/zinc/20/47/49/411204749.db2.gz JKLPVUFXWGAHQJ-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345366 411209247 /nfs/dbraw/zinc/20/92/47/411209247.db2.gz ANFGABXSIWROHG-AVGNSLFASA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000652356443 411215545 /nfs/dbraw/zinc/21/55/45/411215545.db2.gz JVFMZCQPVJBWKJ-TZMCWYRMSA-N 2 1 249.358 1.064 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360801 411216897 /nfs/dbraw/zinc/21/68/97/411216897.db2.gz QOYXAVJEWNGDCJ-UTUOFQBUSA-N 2 1 212.337 1.367 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000310215232 411224783 /nfs/dbraw/zinc/22/47/83/411224783.db2.gz DZIGCZBIAKMASS-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@@H]1C[N@@H+](CCn2cc(C)cn2)CC[C@H]1[NH3+] ZINC000310311740 411232533 /nfs/dbraw/zinc/23/25/33/411232533.db2.gz UYGJWOBALFCNKT-CHWSQXEVSA-N 2 1 236.363 1.251 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422883827 411233853 /nfs/dbraw/zinc/23/38/53/411233853.db2.gz VRFNWXHDOFNGTP-KBPBESRZSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000422938907 411235007 /nfs/dbraw/zinc/23/50/07/411235007.db2.gz LHOGKNAJSFGYNJ-BDAKNGLRSA-N 2 1 205.305 1.943 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423173553 411236220 /nfs/dbraw/zinc/23/62/20/411236220.db2.gz ZDKHFHQPVKFAJX-STQMWFEESA-N 3 1 227.396 1.435 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CS1 ZINC000423193714 411237861 /nfs/dbraw/zinc/23/78/61/411237861.db2.gz WAPVBHUOJWNMPU-ZNSHCXBVSA-N 2 1 214.378 1.468 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC12CCCC2 ZINC000653776611 411165666 /nfs/dbraw/zinc/16/56/66/411165666.db2.gz KSIRTLOOAYHAPD-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC12CCCC2 ZINC000653776611 411165669 /nfs/dbraw/zinc/16/56/69/411165669.db2.gz KSIRTLOOAYHAPD-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC12CCCC2 ZINC000653776611 411165671 /nfs/dbraw/zinc/16/56/71/411165671.db2.gz KSIRTLOOAYHAPD-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC12CCCC2 ZINC000653776611 411165674 /nfs/dbraw/zinc/16/56/74/411165674.db2.gz KSIRTLOOAYHAPD-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP COc1ccccc1CC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401659336 411273661 /nfs/dbraw/zinc/27/36/61/411273661.db2.gz WTWJKSBQFZDDGR-OCCSQVGLSA-N 2 1 248.370 1.825 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401659277 411273704 /nfs/dbraw/zinc/27/37/04/411273704.db2.gz WNTATYFKUKAIJW-RYUDHWBXSA-N 2 1 214.353 1.389 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000658161233 411274443 /nfs/dbraw/zinc/27/44/43/411274443.db2.gz JAHBVNPYXCGZLS-XDQVBPFNSA-N 2 1 240.391 1.874 20 0 BDADMP c1ccc2c(c1)C[NH+](C[C@H]1CC[NH2+]C1)C2 ZINC000051890187 411286328 /nfs/dbraw/zinc/28/63/28/411286328.db2.gz FAXZLJJOGRTILR-NSHDSACASA-N 2 1 202.301 1.612 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCn2nccc21 ZINC000658239486 411308173 /nfs/dbraw/zinc/30/81/73/411308173.db2.gz VIGDNCWRUJMWAG-STQMWFEESA-N 2 1 248.374 1.792 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCn2nccc21 ZINC000658239486 411308175 /nfs/dbraw/zinc/30/81/75/411308175.db2.gz VIGDNCWRUJMWAG-STQMWFEESA-N 2 1 248.374 1.792 20 0 BDADMP COCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402799819 411316004 /nfs/dbraw/zinc/31/60/04/411316004.db2.gz XFFIJJGJVUZHIY-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658256826 411317416 /nfs/dbraw/zinc/31/74/16/411317416.db2.gz WCHKASFYHQFHAI-QWHCGFSZSA-N 2 1 238.375 1.364 20 0 BDADMP FC1(F)CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000629559034 411324695 /nfs/dbraw/zinc/32/46/95/411324695.db2.gz PLWWOWKUNCDXPD-UHFFFAOYSA-N 2 1 247.333 1.013 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784160 411361053 /nfs/dbraw/zinc/36/10/53/411361053.db2.gz ZEGGCLIMTIXWHR-CYBMUJFWSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784160 411361057 /nfs/dbraw/zinc/36/10/57/411361057.db2.gz ZEGGCLIMTIXWHR-CYBMUJFWSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787414 411365567 /nfs/dbraw/zinc/36/55/67/411365567.db2.gz YHVHYYSELFROCX-OAHLLOKOSA-N 3 1 247.386 1.405 20 0 BDADMP Nc1ncc(C[NH2+]CC2([NH3+])CCCC2)s1 ZINC000656788764 411368551 /nfs/dbraw/zinc/36/85/51/411368551.db2.gz CBNIRXVKCDPVOX-UHFFFAOYSA-N 2 1 226.349 1.086 20 0 BDADMP C[C@H]1C[C@H](C[NH2+]CC2(N)CCCC2)CC[NH2+]1 ZINC000656789523 411369544 /nfs/dbraw/zinc/36/95/44/411369544.db2.gz PMCTYUNWWFLVKX-NWDGAFQWSA-N 2 1 225.380 1.236 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000656708387 411334661 /nfs/dbraw/zinc/33/46/61/411334661.db2.gz CVHPNFVXZCTFDF-RQJABVFESA-N 2 1 240.391 1.325 20 0 BDADMP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655731599 411379056 /nfs/dbraw/zinc/37/90/56/411379056.db2.gz UCYBKVATPCDKAU-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCOC)CO1 ZINC000657308051 411460057 /nfs/dbraw/zinc/46/00/57/411460057.db2.gz LUDYLLYRULUBLR-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000404507342 411399085 /nfs/dbraw/zinc/39/90/85/411399085.db2.gz BOZBHRMZLISWGR-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070360484 411408201 /nfs/dbraw/zinc/40/82/01/411408201.db2.gz SRPGDTSUASHCSU-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070360482 411408889 /nfs/dbraw/zinc/40/88/89/411408889.db2.gz SRPGDTSUASHCSU-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CCc2ccccc21 ZINC000404843258 411409362 /nfs/dbraw/zinc/40/93/62/411409362.db2.gz CMIALSDOLWRBFL-CYBMUJFWSA-N 2 1 248.370 1.624 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657315042 411461970 /nfs/dbraw/zinc/46/19/70/411461970.db2.gz GOOHGMYTHBNYSW-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657315042 411461972 /nfs/dbraw/zinc/46/19/72/411461972.db2.gz GOOHGMYTHBNYSW-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP CCC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653568604 411424565 /nfs/dbraw/zinc/42/45/65/411424565.db2.gz DVFSTWWPYWAKBO-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000653568604 411424568 /nfs/dbraw/zinc/42/45/68/411424568.db2.gz DVFSTWWPYWAKBO-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000653568604 411424570 /nfs/dbraw/zinc/42/45/70/411424570.db2.gz DVFSTWWPYWAKBO-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccc(C)cn2)CC[C@@H]1[NH3+] ZINC000122307943 411428094 /nfs/dbraw/zinc/42/80/94/411428094.db2.gz RQZNFAKZERMUOO-OCCSQVGLSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)cn2)CC[C@@H]1[NH3+] ZINC000122307943 411428098 /nfs/dbraw/zinc/42/80/98/411428098.db2.gz RQZNFAKZERMUOO-OCCSQVGLSA-N 2 1 233.359 1.949 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126918880 411463267 /nfs/dbraw/zinc/46/32/67/411463267.db2.gz VNXORVDSBRUFLW-GHMZBOCLSA-N 2 1 236.363 1.152 20 0 BDADMP FCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655733816 411442383 /nfs/dbraw/zinc/44/23/83/411442383.db2.gz RSPLKYHYTNIREI-GFCCVEGCSA-N 2 1 230.327 1.189 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)CO1 ZINC000657292328 411453428 /nfs/dbraw/zinc/45/34/28/411453428.db2.gz HZPPUAYTTOUTKS-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657337178 411471476 /nfs/dbraw/zinc/47/14/76/411471476.db2.gz LKPCZMHTFPYVSJ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnn2c1CCC2 ZINC000657338288 411472973 /nfs/dbraw/zinc/47/29/73/411472973.db2.gz UNDRESGMTWTOHT-UHFFFAOYSA-N 2 1 245.330 1.124 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)CO1 ZINC000657338351 411472997 /nfs/dbraw/zinc/47/29/97/411472997.db2.gz VVVDDXIUNFIBNT-NEPJUHHUSA-N 2 1 223.320 1.349 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC(C)C)C1 ZINC000307846836 411486869 /nfs/dbraw/zinc/48/68/69/411486869.db2.gz ONTRJSYBGIZXQW-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000307846836 411486872 /nfs/dbraw/zinc/48/68/72/411486872.db2.gz ONTRJSYBGIZXQW-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000307846836 411486875 /nfs/dbraw/zinc/48/68/75/411486875.db2.gz ONTRJSYBGIZXQW-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309490708 411498653 /nfs/dbraw/zinc/49/86/53/411498653.db2.gz ZSASFRCQKCAYHO-AGIUHOORSA-N 2 1 226.364 1.330 20 0 BDADMP c1cc(C[NH2+]CCC[NH+]2CCC2)n(CC2CC2)n1 ZINC000657422820 411502724 /nfs/dbraw/zinc/50/27/24/411502724.db2.gz AMQOFHHWTUUDJC-UHFFFAOYSA-N 2 1 248.374 1.479 20 0 BDADMP Cc1[nH+]cc(CN[C@@H](C)C[N@H+](C)C(C)C)n1C ZINC000657471288 411522964 /nfs/dbraw/zinc/52/29/64/411522964.db2.gz QQQLNNYVZONURX-NSHDSACASA-N 2 1 238.379 1.547 20 0 BDADMP Cc1[nH+]cc(CN[C@@H](C)C[N@@H+](C)C(C)C)n1C ZINC000657471288 411522966 /nfs/dbraw/zinc/52/29/66/411522966.db2.gz QQQLNNYVZONURX-NSHDSACASA-N 2 1 238.379 1.547 20 0 BDADMP CCn1cc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cn1 ZINC000050539551 170007429 /nfs/dbraw/zinc/00/74/29/170007429.db2.gz PQOXNAFYRQJXBA-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cn1 ZINC000050539551 170007430 /nfs/dbraw/zinc/00/74/30/170007430.db2.gz PQOXNAFYRQJXBA-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000309469014 170017159 /nfs/dbraw/zinc/01/71/59/170017159.db2.gz UARYFVHIBRTFGB-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)OC)C[C@H]1C ZINC000336673353 170018492 /nfs/dbraw/zinc/01/84/92/170018492.db2.gz KQHVNGLAHBKBSI-UPJWGTAASA-N 2 1 228.380 1.826 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)OC)C[C@H]1C ZINC000336673353 170018493 /nfs/dbraw/zinc/01/84/93/170018493.db2.gz KQHVNGLAHBKBSI-UPJWGTAASA-N 2 1 228.380 1.826 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)OC)C[C@H]1C ZINC000336673353 170018494 /nfs/dbraw/zinc/01/84/94/170018494.db2.gz KQHVNGLAHBKBSI-UPJWGTAASA-N 2 1 228.380 1.826 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H](C)O)[C@H](C)C1 ZINC000336730886 170019782 /nfs/dbraw/zinc/01/97/82/170019782.db2.gz YJRUQKRNGZWRPV-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@H](C)O)[C@H](C)C1 ZINC000336730886 170019783 /nfs/dbraw/zinc/01/97/83/170019783.db2.gz YJRUQKRNGZWRPV-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@H](C)O)[C@H](C)C1 ZINC000336730886 170019785 /nfs/dbraw/zinc/01/97/85/170019785.db2.gz YJRUQKRNGZWRPV-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCCO)[C@H](C)C1 ZINC000352785132 170022599 /nfs/dbraw/zinc/02/25/99/170022599.db2.gz ZIWIHXREJZKRBL-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](C)O)[C@@H](C)C1 ZINC000336777295 170022656 /nfs/dbraw/zinc/02/26/56/170022656.db2.gz IAASXGZKKZLXKH-RNJOBUHISA-N 2 1 228.380 1.466 20 0 BDADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)OCC)CC1 ZINC000113656049 170111414 /nfs/dbraw/zinc/11/14/14/170111414.db2.gz RGSTVYCROJKTNW-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000151377364 170114449 /nfs/dbraw/zinc/11/44/49/170114449.db2.gz URNOCCKZTSHEBL-ZDUSSCGKSA-N 2 1 249.358 1.015 20 0 BDADMP CCNCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000238237516 170116510 /nfs/dbraw/zinc/11/65/10/170116510.db2.gz CVCOAOAZIRYYHV-AWEZNQCLSA-N 2 1 218.344 1.743 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000238237516 170116511 /nfs/dbraw/zinc/11/65/11/170116511.db2.gz CVCOAOAZIRYYHV-AWEZNQCLSA-N 2 1 218.344 1.743 20 0 BDADMP CCOC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043638795 170246750 /nfs/dbraw/zinc/24/67/50/170246750.db2.gz ROIWWWMHCIXXCY-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657670929 411575340 /nfs/dbraw/zinc/57/53/40/411575340.db2.gz XUZRNOXVHWBTKU-SNVBAGLBSA-N 2 1 218.291 1.716 20 0 BDADMP c1c[nH]c(CN[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000657674679 411575728 /nfs/dbraw/zinc/57/57/28/411575728.db2.gz LKMMKSGLDBJMSN-LBPRGKRZSA-N 2 1 248.374 1.906 20 0 BDADMP CCOCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336681894 170374490 /nfs/dbraw/zinc/37/44/90/170374490.db2.gz RVBOSZYWRAPZQA-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336681894 170374492 /nfs/dbraw/zinc/37/44/92/170374492.db2.gz RVBOSZYWRAPZQA-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336681894 170374493 /nfs/dbraw/zinc/37/44/93/170374493.db2.gz RVBOSZYWRAPZQA-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523930 170380560 /nfs/dbraw/zinc/38/05/60/170380560.db2.gz RLYQDPCDGZQFDB-YHWZYXNKSA-N 2 1 226.364 1.628 20 0 BDADMP CCOCCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000336683547 170383484 /nfs/dbraw/zinc/38/34/84/170383484.db2.gz JDNAHLIAEIQTLO-LLVKDONJSA-N 2 1 202.342 1.376 20 0 BDADMP CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336674140 170391364 /nfs/dbraw/zinc/39/13/64/170391364.db2.gz LJIZDFIDAALLKC-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336674140 170391366 /nfs/dbraw/zinc/39/13/66/170391366.db2.gz LJIZDFIDAALLKC-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336674140 170391367 /nfs/dbraw/zinc/39/13/67/170391367.db2.gz LJIZDFIDAALLKC-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP C[NH+]1CCC([NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC000657696668 411581091 /nfs/dbraw/zinc/58/10/91/411581091.db2.gz COANPZUGKYVJJL-UHFFFAOYSA-N 2 1 238.375 1.221 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1CCOC1 ZINC000657792340 411597875 /nfs/dbraw/zinc/59/78/75/411597875.db2.gz JDZKSODXCUVLLJ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1CCOC1 ZINC000657792340 411597877 /nfs/dbraw/zinc/59/78/77/411597877.db2.gz JDZKSODXCUVLLJ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H](O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660813 411613469 /nfs/dbraw/zinc/61/34/69/411613469.db2.gz AWGCXOMRKVMIFN-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660813 411613470 /nfs/dbraw/zinc/61/34/70/411613470.db2.gz AWGCXOMRKVMIFN-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660813 411613472 /nfs/dbraw/zinc/61/34/72/411613472.db2.gz AWGCXOMRKVMIFN-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cccn1)C2 ZINC000660659772 411614396 /nfs/dbraw/zinc/61/43/96/411614396.db2.gz QRSOXGHEKTYFNP-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cccn1)C2 ZINC000660659772 411614397 /nfs/dbraw/zinc/61/43/97/411614397.db2.gz QRSOXGHEKTYFNP-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCn1cccn1)C2 ZINC000660659772 411614398 /nfs/dbraw/zinc/61/43/98/411614398.db2.gz QRSOXGHEKTYFNP-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCn1cccn1)C2 ZINC000660659772 411614399 /nfs/dbraw/zinc/61/43/99/411614399.db2.gz QRSOXGHEKTYFNP-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCn1cccn1)C2 ZINC000660659770 411614719 /nfs/dbraw/zinc/61/47/19/411614719.db2.gz QRSOXGHEKTYFNP-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCn1cccn1)C2 ZINC000660659770 411614721 /nfs/dbraw/zinc/61/47/21/411614721.db2.gz QRSOXGHEKTYFNP-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCn1cccn1)C2 ZINC000660659770 411614722 /nfs/dbraw/zinc/61/47/22/411614722.db2.gz QRSOXGHEKTYFNP-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCn1cccn1)C2 ZINC000660659770 411614724 /nfs/dbraw/zinc/61/47/24/411614724.db2.gz QRSOXGHEKTYFNP-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP c1ccc2c(c1)CC([NH2+]CC13CC(C1)C[NH2+]3)C2 ZINC000663498606 411680589 /nfs/dbraw/zinc/68/05/89/411680589.db2.gz QXTCXAWTYURNRN-UHFFFAOYSA-N 2 1 228.339 1.495 20 0 BDADMP CN(c1ccccc1)[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000663501938 411685698 /nfs/dbraw/zinc/68/56/98/411685698.db2.gz ZTTDCSKHKNLAOS-AWEZNQCLSA-N 2 1 247.386 1.934 20 0 BDADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000663501938 411685703 /nfs/dbraw/zinc/68/57/03/411685703.db2.gz ZTTDCSKHKNLAOS-AWEZNQCLSA-N 2 1 247.386 1.934 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000663514756 411695084 /nfs/dbraw/zinc/69/50/84/411695084.db2.gz SQPKJWOSAXWRDC-DGCLKSJQSA-N 2 1 210.365 1.964 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CO)C1CCC1 ZINC000661153053 411720202 /nfs/dbraw/zinc/72/02/02/411720202.db2.gz HYWRGHSLAMBSKU-CYBMUJFWSA-N 2 1 237.347 1.103 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700501 411845428 /nfs/dbraw/zinc/84/54/28/411845428.db2.gz MRPVPSHZZABHFL-KBPBESRZSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700501 411845432 /nfs/dbraw/zinc/84/54/32/411845432.db2.gz MRPVPSHZZABHFL-KBPBESRZSA-N 2 1 249.358 1.550 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000661766307 411876158 /nfs/dbraw/zinc/87/61/58/411876158.db2.gz CKGKBLSAYJGNCW-RWMBFGLXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H](O)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000661766307 411876163 /nfs/dbraw/zinc/87/61/63/411876163.db2.gz CKGKBLSAYJGNCW-RWMBFGLXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H](O)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000661766307 411876169 /nfs/dbraw/zinc/87/61/69/411876169.db2.gz CKGKBLSAYJGNCW-RWMBFGLXSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC[C@@H](C)O ZINC000662176303 412019166 /nfs/dbraw/zinc/01/91/66/412019166.db2.gz CQLKKUBMVMWCJB-GFCCVEGCSA-N 2 1 230.396 1.857 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC[C@@H](C)O ZINC000662176303 412019174 /nfs/dbraw/zinc/01/91/74/412019174.db2.gz CQLKKUBMVMWCJB-GFCCVEGCSA-N 2 1 230.396 1.857 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC(C)(C)O ZINC000662174728 412019969 /nfs/dbraw/zinc/01/99/69/412019969.db2.gz DOHCIOSZFTWNMP-UHFFFAOYSA-N 2 1 230.396 1.857 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC(C)(C)O ZINC000662174728 412019970 /nfs/dbraw/zinc/01/99/70/412019970.db2.gz DOHCIOSZFTWNMP-UHFFFAOYSA-N 2 1 230.396 1.857 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CCO ZINC000662216813 412029504 /nfs/dbraw/zinc/02/95/04/412029504.db2.gz PJXVCJOMOMHHKN-JSGCOSHPSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000662266876 412059104 /nfs/dbraw/zinc/05/91/04/412059104.db2.gz PZCROQYOHWWVTG-GXSJLCMTSA-N 2 1 235.331 1.721 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662266876 412059107 /nfs/dbraw/zinc/05/91/07/412059107.db2.gz PZCROQYOHWWVTG-GXSJLCMTSA-N 2 1 235.331 1.721 20 0 BDADMP CO[C@H](C[N@H+](C)[C@@H](C)CN)C1CCC1 ZINC000662244981 412040801 /nfs/dbraw/zinc/04/08/01/412040801.db2.gz QTJDAZSSBXEACN-GXSJLCMTSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@@H](C)CN)C1CCC1 ZINC000662244981 412040804 /nfs/dbraw/zinc/04/08/04/412040804.db2.gz QTJDAZSSBXEACN-GXSJLCMTSA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000662245250 412042170 /nfs/dbraw/zinc/04/21/70/412042170.db2.gz JMCNDVPBJUQHTA-VHSXEESVSA-N 2 1 220.307 1.948 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3c2CC[NH2+]C3)CCC1 ZINC000662267891 412059801 /nfs/dbraw/zinc/05/98/01/412059801.db2.gz ZTTWDGOULFNIOX-UHFFFAOYSA-N 3 1 245.370 1.303 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249400 412046808 /nfs/dbraw/zinc/04/68/08/412046808.db2.gz MDJWWBMLZNMSSF-NWDGAFQWSA-N 2 1 224.348 1.382 20 0 BDADMP CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000309429743 171011720 /nfs/dbraw/zinc/01/17/20/171011720.db2.gz MGKMDBBHCLSRBF-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000309429743 171011722 /nfs/dbraw/zinc/01/17/22/171011722.db2.gz MGKMDBBHCLSRBF-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000309429743 171011725 /nfs/dbraw/zinc/01/17/25/171011725.db2.gz MGKMDBBHCLSRBF-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309429743 171011727 /nfs/dbraw/zinc/01/17/27/171011727.db2.gz MGKMDBBHCLSRBF-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000134091899 412058421 /nfs/dbraw/zinc/05/84/21/412058421.db2.gz NSTXOXLRPYUPIW-OCCSQVGLSA-N 2 1 234.343 1.951 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH2+]C)CCS1 ZINC000123786624 171081333 /nfs/dbraw/zinc/08/13/33/171081333.db2.gz DNWCHMSCCLVEFF-SNVBAGLBSA-N 2 1 202.367 1.423 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919052 171105777 /nfs/dbraw/zinc/10/57/77/171105777.db2.gz UPYOKBKEEKUOLW-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCc1nocc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000662274010 412064609 /nfs/dbraw/zinc/06/46/09/412064609.db2.gz RLJZFHFEXVRAEE-GFCCVEGCSA-N 2 1 237.347 1.940 20 0 BDADMP CCc1nocc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000662274010 412064613 /nfs/dbraw/zinc/06/46/13/412064613.db2.gz RLJZFHFEXVRAEE-GFCCVEGCSA-N 2 1 237.347 1.940 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000662273550 412064743 /nfs/dbraw/zinc/06/47/43/412064743.db2.gz OELRZWOYUVFJQP-HZSPNIEDSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000355682809 171119999 /nfs/dbraw/zinc/11/99/99/171119999.db2.gz MHVWGNLPXJOPPG-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)OC ZINC000662276180 412067382 /nfs/dbraw/zinc/06/73/82/412067382.db2.gz GPTJCRLJSXAPTL-OLZOCXBDSA-N 2 1 244.379 1.145 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662275393 412067591 /nfs/dbraw/zinc/06/75/91/412067591.db2.gz BVYDHYLYLPSQBB-LXTVHRRPSA-N 2 1 249.402 1.012 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC1CC=CC1 ZINC000662277589 412069206 /nfs/dbraw/zinc/06/92/06/412069206.db2.gz QGLXIRVLMMLNBF-NTZNESFSSA-N 2 1 208.349 1.929 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351602513 171161453 /nfs/dbraw/zinc/16/14/53/171161453.db2.gz ILGPIEJEGVUMCN-MRVWCRGKSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351602513 171161455 /nfs/dbraw/zinc/16/14/55/171161455.db2.gz ILGPIEJEGVUMCN-MRVWCRGKSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351602513 171161456 /nfs/dbraw/zinc/16/14/56/171161456.db2.gz ILGPIEJEGVUMCN-MRVWCRGKSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351602513 171161459 /nfs/dbraw/zinc/16/14/59/171161459.db2.gz ILGPIEJEGVUMCN-MRVWCRGKSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000662278511 412071354 /nfs/dbraw/zinc/07/13/54/412071354.db2.gz YWRPXQMHVBJHHS-ZNSHCXBVSA-N 2 1 248.317 1.387 20 0 BDADMP C[N@@H+](CC[C@H]1CCCCO1)CC(C)(C)[NH3+] ZINC000662296165 412083313 /nfs/dbraw/zinc/08/33/13/412083313.db2.gz XDRKKOHQDIEDAL-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662302859 412088582 /nfs/dbraw/zinc/08/85/82/412088582.db2.gz OOXGVBJLEGGRDF-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662301738 412089646 /nfs/dbraw/zinc/08/96/46/412089646.db2.gz SCKLWUSGUBCDLI-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CCc1ccccc1 ZINC000662304812 412091006 /nfs/dbraw/zinc/09/10/06/412091006.db2.gz CADXIGMOSZZMLD-UHFFFAOYSA-N 2 1 216.328 1.652 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CCc1ccccc1 ZINC000662304812 412091008 /nfs/dbraw/zinc/09/10/08/412091008.db2.gz CADXIGMOSZZMLD-UHFFFAOYSA-N 2 1 216.328 1.652 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCC1CCC1 ZINC000662305855 412091483 /nfs/dbraw/zinc/09/14/83/412091483.db2.gz MQEQJQKEVGJASL-UHFFFAOYSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CCCC1CCC1 ZINC000662305855 412091485 /nfs/dbraw/zinc/09/14/85/412091485.db2.gz MQEQJQKEVGJASL-UHFFFAOYSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCCCF ZINC000662307313 412093130 /nfs/dbraw/zinc/09/31/30/412093130.db2.gz ZRLXMFZUWRJFLT-UHFFFAOYSA-N 2 1 200.301 1.549 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CCCCCF ZINC000662307313 412093131 /nfs/dbraw/zinc/09/31/31/412093131.db2.gz ZRLXMFZUWRJFLT-UHFFFAOYSA-N 2 1 200.301 1.549 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000662312535 412094700 /nfs/dbraw/zinc/09/47/00/412094700.db2.gz HQUNDULDBXLKRD-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CCOCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318542 412098519 /nfs/dbraw/zinc/09/85/19/412098519.db2.gz BFCMDHZHKBZQJR-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP CCOCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318542 412098523 /nfs/dbraw/zinc/09/85/23/412098523.db2.gz BFCMDHZHKBZQJR-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP N[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC[C@H]1F ZINC000662326100 412102069 /nfs/dbraw/zinc/10/20/69/412102069.db2.gz NRWIIGXARAKPEH-CHWSQXEVSA-N 2 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CN(CCCC2CC[NH2+]CC2)CC[C@H]1F ZINC000662326100 412102073 /nfs/dbraw/zinc/10/20/73/412102073.db2.gz NRWIIGXARAKPEH-CHWSQXEVSA-N 2 1 243.370 1.137 20 0 BDADMP C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665244293 412186465 /nfs/dbraw/zinc/18/64/65/412186465.db2.gz KJDGRIDZKGZFKP-GUBZILKMSA-N 2 1 234.290 1.141 20 0 BDADMP C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665244298 412187428 /nfs/dbraw/zinc/18/74/28/412187428.db2.gz KJDGRIDZKGZFKP-UTLUCORTSA-N 2 1 234.290 1.141 20 0 BDADMP CCCCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000665243125 412187716 /nfs/dbraw/zinc/18/77/16/412187716.db2.gz XDHXDNYZFONJJY-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000665249472 412195278 /nfs/dbraw/zinc/19/52/78/412195278.db2.gz RALGXADXZAWGDL-NSHDSACASA-N 2 1 236.363 1.825 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)CN1CCC(C)CC1 ZINC000665272521 412214214 /nfs/dbraw/zinc/21/42/14/412214214.db2.gz GWTNOZQQUFLXRP-BFHYXJOUSA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000665280688 412225131 /nfs/dbraw/zinc/22/51/31/412225131.db2.gz JBXLTCHAIDZEEX-BNOWGMLFSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000665280688 412225132 /nfs/dbraw/zinc/22/51/32/412225132.db2.gz JBXLTCHAIDZEEX-BNOWGMLFSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000665281535 412225770 /nfs/dbraw/zinc/22/57/70/412225770.db2.gz FULAGUMDFXHHHY-TUAOUCFPSA-N 2 1 236.363 1.852 20 0 BDADMP C[C@H]([NH2+]CCCc1ccco1)[C@H]1CCC[NH2+]1 ZINC000665283730 412229462 /nfs/dbraw/zinc/22/94/62/412229462.db2.gz SZBXSPSHMCZIQE-WCQYABFASA-N 2 1 222.332 1.942 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000665294565 412234492 /nfs/dbraw/zinc/23/44/92/412234492.db2.gz RAQMDDVOBOXHGA-QWRGUYRKSA-N 2 1 210.321 1.798 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000665298354 412246939 /nfs/dbraw/zinc/24/69/39/412246939.db2.gz VGQKXKVZKIROTG-QJPTWQEYSA-N 2 1 228.380 1.776 20 0 BDADMP C[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000662964979 412357353 /nfs/dbraw/zinc/35/73/53/412357353.db2.gz GRSXPGDWTOWANZ-WCQYABFASA-N 2 1 249.358 1.013 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133034842 412392243 /nfs/dbraw/zinc/39/22/43/412392243.db2.gz QYADTXJATSSEKQ-HNNXBMFYSA-N 2 1 248.370 1.610 20 0 BDADMP c1cc2[nH+]ccc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2s1 ZINC000663239439 412397799 /nfs/dbraw/zinc/39/77/99/412397799.db2.gz PUWWIQOSBUYURT-VROVMSAKSA-N 2 1 231.324 1.348 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129356817 172041024 /nfs/dbraw/zinc/04/10/24/172041024.db2.gz UIDFBPQSVXMYSD-GFCCVEGCSA-N 2 1 236.363 1.214 20 0 BDADMP CCn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000070543154 172163519 /nfs/dbraw/zinc/16/35/19/172163519.db2.gz DZZBYTKIOYTHJJ-CYBMUJFWSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000070543154 172163521 /nfs/dbraw/zinc/16/35/21/172163521.db2.gz DZZBYTKIOYTHJJ-CYBMUJFWSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000050539370 172169753 /nfs/dbraw/zinc/16/97/53/172169753.db2.gz SLWCZWBTEBWNDM-UHFFFAOYSA-N 2 1 238.379 1.580 20 0 BDADMP CCn1nccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000160234027 172266271 /nfs/dbraw/zinc/26/62/71/172266271.db2.gz JKPKEOGDRXZAGT-GFCCVEGCSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1nccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000160234027 172266272 /nfs/dbraw/zinc/26/62/72/172266272.db2.gz JKPKEOGDRXZAGT-GFCCVEGCSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1nccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000269837155 172271410 /nfs/dbraw/zinc/27/14/10/172271410.db2.gz BCMVVJJWALZORO-UHFFFAOYSA-N 2 1 247.346 1.588 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cncnc2)CC1 ZINC000368967483 173003003 /nfs/dbraw/zinc/00/30/03/173003003.db2.gz YIUQGVYXIVOOTC-UHFFFAOYSA-N 2 1 246.358 1.537 20 0 BDADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cncnc2)CC1 ZINC000368967483 173003004 /nfs/dbraw/zinc/00/30/04/173003004.db2.gz YIUQGVYXIVOOTC-UHFFFAOYSA-N 2 1 246.358 1.537 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C(C)(C)C1 ZINC000335310120 173007059 /nfs/dbraw/zinc/00/70/59/173007059.db2.gz DXRDAUSNKVIDHJ-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000335310120 173007062 /nfs/dbraw/zinc/00/70/62/173007062.db2.gz DXRDAUSNKVIDHJ-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000335310120 173007064 /nfs/dbraw/zinc/00/70/64/173007064.db2.gz DXRDAUSNKVIDHJ-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)C(C)(C)C ZINC000309555868 173026828 /nfs/dbraw/zinc/02/68/28/173026828.db2.gz JQRFOFSOCJEKHK-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H](n2cncn2)C1 ZINC000364536331 173028003 /nfs/dbraw/zinc/02/80/03/173028003.db2.gz ZPEGWJDLKMHYIS-OLZOCXBDSA-N 2 1 249.362 1.009 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364536331 173028009 /nfs/dbraw/zinc/02/80/09/173028009.db2.gz ZPEGWJDLKMHYIS-OLZOCXBDSA-N 2 1 249.362 1.009 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364536331 173028011 /nfs/dbraw/zinc/02/80/11/173028011.db2.gz ZPEGWJDLKMHYIS-OLZOCXBDSA-N 2 1 249.362 1.009 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+]2CCC[C@H]2C1 ZINC000245607085 173028274 /nfs/dbraw/zinc/02/82/74/173028274.db2.gz KGJAJHMWYSPBCE-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245607085 173028275 /nfs/dbraw/zinc/02/82/75/173028275.db2.gz KGJAJHMWYSPBCE-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000245607085 173028277 /nfs/dbraw/zinc/02/82/77/173028277.db2.gz KGJAJHMWYSPBCE-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP Cn1cccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000162272767 173040441 /nfs/dbraw/zinc/04/04/41/173040441.db2.gz DXTVHGOCHIITCB-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1cccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000162272767 173040445 /nfs/dbraw/zinc/04/04/45/173040445.db2.gz DXTVHGOCHIITCB-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1cccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000162272767 173040448 /nfs/dbraw/zinc/04/04/48/173040448.db2.gz DXTVHGOCHIITCB-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1cccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000162272767 173040451 /nfs/dbraw/zinc/04/04/51/173040451.db2.gz DXTVHGOCHIITCB-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCSC1 ZINC000245704430 173049980 /nfs/dbraw/zinc/04/99/80/173049980.db2.gz YFDRDLDEPYSRBN-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCSC1 ZINC000245704430 173049984 /nfs/dbraw/zinc/04/99/84/173049984.db2.gz YFDRDLDEPYSRBN-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCSC1 ZINC000245704430 173049986 /nfs/dbraw/zinc/04/99/86/173049986.db2.gz YFDRDLDEPYSRBN-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)O)CC[C@@H]21 ZINC000220947070 173059791 /nfs/dbraw/zinc/05/97/91/173059791.db2.gz MIVWTGCJAXXQQG-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000220947070 173059792 /nfs/dbraw/zinc/05/97/92/173059792.db2.gz MIVWTGCJAXXQQG-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000220947070 173059794 /nfs/dbraw/zinc/05/97/94/173059794.db2.gz MIVWTGCJAXXQQG-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C/C=C/c2ccccc2)C1 ZINC000358170514 173138381 /nfs/dbraw/zinc/13/83/81/173138381.db2.gz RIUHHFWKWDAMRZ-SBJJXXPASA-N 2 1 246.354 1.356 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C/C=C/c2ccccc2)C1 ZINC000358170514 173138382 /nfs/dbraw/zinc/13/83/82/173138382.db2.gz RIUHHFWKWDAMRZ-SBJJXXPASA-N 2 1 246.354 1.356 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@@H]2CCC[C@H]21 ZINC000353433996 173152547 /nfs/dbraw/zinc/15/25/47/173152547.db2.gz HZNYEXNYTPONCJ-XDQVBPFNSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)[C@@H]2CCC[C@H]21 ZINC000336775589 173154879 /nfs/dbraw/zinc/15/48/79/173154879.db2.gz ZKQQUFCFLZAYPA-MROQNXINSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCOC(C)(C)C)C2)C1 ZINC000368313650 173167093 /nfs/dbraw/zinc/16/70/93/173167093.db2.gz DHNYEHHRTJHENZ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCOC(C)(C)C)C2)C1 ZINC000368313650 173167094 /nfs/dbraw/zinc/16/70/94/173167094.db2.gz DHNYEHHRTJHENZ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOC(C)(C)C)C2)C1 ZINC000368313650 173167097 /nfs/dbraw/zinc/16/70/97/173167097.db2.gz DHNYEHHRTJHENZ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000042465493 173346353 /nfs/dbraw/zinc/34/63/53/173346353.db2.gz QQHMWURBXRRIJR-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000042465493 173346354 /nfs/dbraw/zinc/34/63/54/173346354.db2.gz QQHMWURBXRRIJR-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnccc2C)C1 ZINC000135498742 173368369 /nfs/dbraw/zinc/36/83/69/173368369.db2.gz YMCGWTBVTZEHIN-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnccc2C)C1 ZINC000135498742 173368371 /nfs/dbraw/zinc/36/83/71/173368371.db2.gz YMCGWTBVTZEHIN-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCCF ZINC000308494437 173368916 /nfs/dbraw/zinc/36/89/16/173368916.db2.gz SHMJGRPGLCDORG-NSHDSACASA-N 2 1 202.317 1.810 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCCF ZINC000308494437 173368915 /nfs/dbraw/zinc/36/89/15/173368915.db2.gz SHMJGRPGLCDORG-NSHDSACASA-N 2 1 202.317 1.810 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000053031114 173381341 /nfs/dbraw/zinc/38/13/41/173381341.db2.gz WRGGGCRRRIEAIO-NWDGAFQWSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000053031114 173381342 /nfs/dbraw/zinc/38/13/42/173381342.db2.gz WRGGGCRRRIEAIO-NWDGAFQWSA-N 2 1 219.332 1.684 20 0 BDADMP COC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000336729322 174000407 /nfs/dbraw/zinc/00/04/07/174000407.db2.gz XFLXIDPNUQWSQO-UHFFFAOYSA-N 2 1 238.375 1.772 20 0 BDADMP COC1(C[NH2+]C2CC[NH+](C)CC2)CCCC1 ZINC000336764222 174001419 /nfs/dbraw/zinc/00/14/19/174001419.db2.gz NANULMMVMFRSIJ-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP COC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336698136 174027767 /nfs/dbraw/zinc/02/77/67/174027767.db2.gz IDICIBXXUJMOIX-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336651017 174076485 /nfs/dbraw/zinc/07/64/85/174076485.db2.gz HUCJJMIUJGEALW-RYUDHWBXSA-N 2 1 228.380 1.731 20 0 BDADMP COCCCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000336748612 174180662 /nfs/dbraw/zinc/18/06/62/174180662.db2.gz SUMCVFDPNMFZJJ-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP COCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000044657367 174202828 /nfs/dbraw/zinc/20/28/28/174202828.db2.gz RMZBIJVLGHGLDW-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000082645398 174228086 /nfs/dbraw/zinc/22/80/86/174228086.db2.gz PDWIDPNMDMEYEO-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372991269 174231354 /nfs/dbraw/zinc/23/13/54/174231354.db2.gz UAGUPIAGYQALCE-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP COCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599844 174235492 /nfs/dbraw/zinc/23/54/92/174235492.db2.gz GRXZOJHLEXZNLE-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599844 174235494 /nfs/dbraw/zinc/23/54/94/174235494.db2.gz GRXZOJHLEXZNLE-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599844 174235495 /nfs/dbraw/zinc/23/54/95/174235495.db2.gz GRXZOJHLEXZNLE-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000309494765 174260677 /nfs/dbraw/zinc/26/06/77/174260677.db2.gz YAVJTRQHQXMALH-DGCLKSJQSA-N 2 1 228.380 1.731 20 0 BDADMP COCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911785 174297020 /nfs/dbraw/zinc/29/70/20/174297020.db2.gz CWWHFTPMGSUPLU-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP COCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371209819 174306175 /nfs/dbraw/zinc/30/61/75/174306175.db2.gz WGERZOBHURRKDM-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371209819 174306176 /nfs/dbraw/zinc/30/61/76/174306176.db2.gz WGERZOBHURRKDM-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363257437 174318580 /nfs/dbraw/zinc/31/85/80/174318580.db2.gz XPIRAWZYDMBUGW-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363257437 174318581 /nfs/dbraw/zinc/31/85/81/174318581.db2.gz XPIRAWZYDMBUGW-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363257437 174318582 /nfs/dbraw/zinc/31/85/82/174318582.db2.gz XPIRAWZYDMBUGW-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375898309 174339495 /nfs/dbraw/zinc/33/94/95/174339495.db2.gz QZURJRCTXDBGDX-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000564823889 322931450 /nfs/dbraw/zinc/93/14/50/322931450.db2.gz RPGSSXKYNXBGJK-QWRGUYRKSA-N 2 1 224.352 1.679 20 0 BDADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357031648 176015543 /nfs/dbraw/zinc/01/55/43/176015543.db2.gz RATGSEXHLMIOLH-NSHDSACASA-N 2 1 240.322 1.794 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049712723 176030608 /nfs/dbraw/zinc/03/06/08/176030608.db2.gz JVVDIEXSALMAES-MDZLAQPJSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049712723 176030609 /nfs/dbraw/zinc/03/06/09/176030609.db2.gz JVVDIEXSALMAES-MDZLAQPJSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361219312 176051219 /nfs/dbraw/zinc/05/12/19/176051219.db2.gz CIYTYAKMTKEBFK-UPJWGTAASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310480784 176080379 /nfs/dbraw/zinc/08/03/79/176080379.db2.gz CXSNBSLTVGMLNS-XBFCOCLRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310480784 176080381 /nfs/dbraw/zinc/08/03/81/176080381.db2.gz CXSNBSLTVGMLNS-XBFCOCLRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)O1 ZINC000336713024 176225065 /nfs/dbraw/zinc/22/50/65/176225065.db2.gz OCHACNPZQKRABO-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)O1 ZINC000336713024 176225066 /nfs/dbraw/zinc/22/50/66/176225066.db2.gz OCHACNPZQKRABO-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)O1 ZINC000336713024 176225068 /nfs/dbraw/zinc/22/50/68/176225068.db2.gz OCHACNPZQKRABO-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[NH+](CC(C)(C)[NH3+])C[C@@H](C)S1 ZINC000069910171 176285313 /nfs/dbraw/zinc/28/53/13/176285313.db2.gz UYUGFXPMIAYOKD-RKDXNWHRSA-N 2 1 202.367 1.550 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000336678277 176269323 /nfs/dbraw/zinc/26/93/23/176269323.db2.gz BPKKZIWCBDMJJN-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000037738676 176280004 /nfs/dbraw/zinc/28/00/04/176280004.db2.gz DLVHGFPLVJLPRA-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000035786776 176288672 /nfs/dbraw/zinc/28/86/72/176288672.db2.gz NQPUKESXVSIXMQ-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccnc2)CC[C@@H]1[NH3+] ZINC000049712931 176293681 /nfs/dbraw/zinc/29/36/81/176293681.db2.gz ZRDQUJUQLMWZKT-YPMHNXCESA-N 2 1 219.332 1.293 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccs2)CC[C@@H]1[NH3+] ZINC000049712287 176293763 /nfs/dbraw/zinc/29/37/63/176293763.db2.gz VPECSFKSULBOID-PWSUYJOCSA-N 2 1 224.373 1.960 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000022130140 176294608 /nfs/dbraw/zinc/29/46/08/176294608.db2.gz LRHHXVNCKIHDJJ-OCCSQVGLSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C1CC1 ZINC000363540440 176300224 /nfs/dbraw/zinc/30/02/24/176300224.db2.gz WMINODZKKXJTES-MRVWCRGKSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C1CC1 ZINC000363540440 176300226 /nfs/dbraw/zinc/30/02/26/176300226.db2.gz WMINODZKKXJTES-MRVWCRGKSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000309733769 176340150 /nfs/dbraw/zinc/34/01/50/176340150.db2.gz BUVIQXSGDQZPHM-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000302164280 176340645 /nfs/dbraw/zinc/34/06/45/176340645.db2.gz MNEMTNJGHWPBJM-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000302164278 176344475 /nfs/dbraw/zinc/34/44/75/176344475.db2.gz MNEMTNJGHWPBJM-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCC(F)(F)F ZINC000122331846 176367258 /nfs/dbraw/zinc/36/72/58/176367258.db2.gz AVTKQDHDHHKQTF-BDAKNGLRSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCC(F)(F)F ZINC000122331846 176367259 /nfs/dbraw/zinc/36/72/59/176367259.db2.gz AVTKQDHDHHKQTF-BDAKNGLRSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCOCC1 ZINC000122307774 176367668 /nfs/dbraw/zinc/36/76/68/176367668.db2.gz ZROPDWXAVBUZMA-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CC[NH2+]1 ZINC000235379411 176367867 /nfs/dbraw/zinc/36/78/67/176367867.db2.gz MACGMSFOEGFVPY-HZSPNIEDSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000235379411 176367868 /nfs/dbraw/zinc/36/78/68/176367868.db2.gz MACGMSFOEGFVPY-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000235379411 176367869 /nfs/dbraw/zinc/36/78/69/176367869.db2.gz MACGMSFOEGFVPY-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCN(C)C2)CC[NH2+]1 ZINC000235379411 176367870 /nfs/dbraw/zinc/36/78/70/176367870.db2.gz MACGMSFOEGFVPY-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCN(C)C2)CC[NH2+]1 ZINC000235379411 176367871 /nfs/dbraw/zinc/36/78/71/176367871.db2.gz MACGMSFOEGFVPY-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CC2)CC[N@H+]1C ZINC000309792778 176376402 /nfs/dbraw/zinc/37/64/02/176376402.db2.gz UTHBUSOUNKPSOE-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCC2)CC[N@@H+]1C ZINC000359077102 176378139 /nfs/dbraw/zinc/37/81/39/176378139.db2.gz XUMISZBBYKKXTA-KWCYVHTRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCC2)CC[N@H+]1C ZINC000359077102 176378141 /nfs/dbraw/zinc/37/81/41/176378141.db2.gz XUMISZBBYKKXTA-KWCYVHTRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000309141589 176397059 /nfs/dbraw/zinc/39/70/59/176397059.db2.gz TYPJUCIIGDKYEH-IJLUTSLNSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2CCOCC2)CC[NH2+]1 ZINC000235364860 176412803 /nfs/dbraw/zinc/41/28/03/176412803.db2.gz WNIFWKQWSUOAEN-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000305823741 177009329 /nfs/dbraw/zinc/00/93/29/177009329.db2.gz RRZVZBUWHLZVDN-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000305823741 177009330 /nfs/dbraw/zinc/00/93/30/177009330.db2.gz RRZVZBUWHLZVDN-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000305823741 177009332 /nfs/dbraw/zinc/00/93/32/177009332.db2.gz RRZVZBUWHLZVDN-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000341900597 177078701 /nfs/dbraw/zinc/07/87/01/177078701.db2.gz QMQIQNMLSMFHIJ-WOPDTQHZSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000341900597 177078703 /nfs/dbraw/zinc/07/87/03/177078703.db2.gz QMQIQNMLSMFHIJ-WOPDTQHZSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H]1CCN(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000336363463 177156988 /nfs/dbraw/zinc/15/69/88/177156988.db2.gz BEOHRHRTSNKKRM-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1CC[N@@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336363474 177157038 /nfs/dbraw/zinc/15/70/38/177157038.db2.gz DULVOPPJNQKNIZ-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H](CO)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000678043912 487637294 /nfs/dbraw/zinc/63/72/94/487637294.db2.gz JDEMJAHIDCQLAO-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000678043912 487637297 /nfs/dbraw/zinc/63/72/97/487637297.db2.gz JDEMJAHIDCQLAO-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000678043912 487637301 /nfs/dbraw/zinc/63/73/01/487637301.db2.gz JDEMJAHIDCQLAO-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000678043912 487637306 /nfs/dbraw/zinc/63/73/06/487637306.db2.gz JDEMJAHIDCQLAO-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000678043912 487637309 /nfs/dbraw/zinc/63/73/09/487637309.db2.gz JDEMJAHIDCQLAO-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C1 ZINC000336684925 177257680 /nfs/dbraw/zinc/25/76/80/177257680.db2.gz FPJZHECYJJZMNU-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C1 ZINC000336684925 177257681 /nfs/dbraw/zinc/25/76/81/177257681.db2.gz FPJZHECYJJZMNU-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C1 ZINC000336684925 177257683 /nfs/dbraw/zinc/25/76/83/177257683.db2.gz FPJZHECYJJZMNU-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1 ZINC000336684925 177257684 /nfs/dbraw/zinc/25/76/84/177257684.db2.gz FPJZHECYJJZMNU-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000021949365 177258134 /nfs/dbraw/zinc/25/81/34/177258134.db2.gz OBIXGXWSTBYACR-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000021949365 177258135 /nfs/dbraw/zinc/25/81/35/177258135.db2.gz OBIXGXWSTBYACR-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000062912202 177259614 /nfs/dbraw/zinc/25/96/14/177259614.db2.gz KHKQWDAJWJKMMI-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000062912202 177259615 /nfs/dbraw/zinc/25/96/15/177259615.db2.gz KHKQWDAJWJKMMI-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1CSCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000069760993 177305434 /nfs/dbraw/zinc/30/54/34/177305434.db2.gz SFHYONGJBDWGIJ-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]1CSCC[N@H+]1CC1CC[NH2+]CC1 ZINC000069760987 177305491 /nfs/dbraw/zinc/30/54/91/177305491.db2.gz FHLDLVBBIKCMIF-JTQLQIEISA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334141052 177324570 /nfs/dbraw/zinc/32/45/70/177324570.db2.gz DOQIKTSGDHRSQX-JQWIXIFHSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@H]1C[C@@H](N(C)Cc2ccnc(N)c2)CC[N@H+]1C ZINC000298811154 177326459 /nfs/dbraw/zinc/32/64/59/177326459.db2.gz AHCFGWWKDWSEOF-AAEUAGOBSA-N 2 1 248.374 1.578 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccccc1 ZINC000042896801 177327191 /nfs/dbraw/zinc/32/71/91/177327191.db2.gz DQPXIWALSRBRSJ-STQMWFEESA-N 2 1 234.343 1.877 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](C)CC1 ZINC000036908600 177330563 /nfs/dbraw/zinc/33/05/63/177330563.db2.gz OYZLVNPZPCHLKQ-MBNYWOFBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000300412669 177331280 /nfs/dbraw/zinc/33/12/80/177331280.db2.gz UXMYIHMHGIMOHV-FRRDWIJNSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CC2CCOCC2)CC[NH2+]1 ZINC000235723618 177361246 /nfs/dbraw/zinc/36/12/46/177361246.db2.gz WNIFWKQWSUOAEN-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cccnc1 ZINC000049712942 177365310 /nfs/dbraw/zinc/36/53/10/177365310.db2.gz UJLRIBFFXZPVDK-WCQYABFASA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2ccccn2)CC[N@H+]1C ZINC000129522179 177370411 /nfs/dbraw/zinc/37/04/11/177370411.db2.gz PMHDAMZRJLRMEV-GXTWGEPZSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000229596469 177396923 /nfs/dbraw/zinc/39/69/23/177396923.db2.gz UBFKHFTWBVBXLD-NXEZZACHSA-N 2 1 235.335 1.095 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494934024 226271493 /nfs/dbraw/zinc/27/14/93/226271493.db2.gz UPDWJQDWFZOCKJ-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400541954 226346003 /nfs/dbraw/zinc/34/60/03/226346003.db2.gz KUKJULOLJIJHHQ-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CN(CCCc2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC000314990734 487669094 /nfs/dbraw/zinc/66/90/94/487669094.db2.gz YVQCSTQPBFSYRX-NEPJUHHUSA-N 2 1 236.363 1.035 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000314961873 487669194 /nfs/dbraw/zinc/66/91/94/487669194.db2.gz VMINSILHOCEJIC-TZMCWYRMSA-N 2 1 248.374 1.037 20 0 BDADMP Cn1c[nH+]cc1CCCN1CCCC[C@@H]1C[NH3+] ZINC000314938578 487670157 /nfs/dbraw/zinc/67/01/57/487670157.db2.gz RVADQXGSXMNISF-GFCCVEGCSA-N 2 1 236.363 1.166 20 0 BDADMP CO[C@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000510091899 229291190 /nfs/dbraw/zinc/29/11/90/229291190.db2.gz JXHWAKGQORFCBE-BETUJISGSA-N 2 1 237.347 1.691 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000510091899 229291194 /nfs/dbraw/zinc/29/11/94/229291194.db2.gz JXHWAKGQORFCBE-BETUJISGSA-N 2 1 237.347 1.691 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1CCC1 ZINC000383844330 487677910 /nfs/dbraw/zinc/67/79/10/487677910.db2.gz ZWGXPSNATFBSNC-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1CCC1 ZINC000383844330 487677914 /nfs/dbraw/zinc/67/79/14/487677914.db2.gz ZWGXPSNATFBSNC-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1CCC1 ZINC000383844330 487677918 /nfs/dbraw/zinc/67/79/18/487677918.db2.gz ZWGXPSNATFBSNC-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CN(C)c1ccccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000414781639 487682422 /nfs/dbraw/zinc/68/24/22/487682422.db2.gz VZTGMLVDMKWYLT-UHFFFAOYSA-N 2 1 233.359 1.674 20 0 BDADMP CN(C)c1ccccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414781639 487682428 /nfs/dbraw/zinc/68/24/28/487682428.db2.gz VZTGMLVDMKWYLT-UHFFFAOYSA-N 2 1 233.359 1.674 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000384025326 487687000 /nfs/dbraw/zinc/68/70/00/487687000.db2.gz QNIPEBVAFFZVOG-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000384025326 487687005 /nfs/dbraw/zinc/68/70/05/487687005.db2.gz QNIPEBVAFFZVOG-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000384025326 487687009 /nfs/dbraw/zinc/68/70/09/487687009.db2.gz QNIPEBVAFFZVOG-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(F)c1 ZINC000228618970 487695061 /nfs/dbraw/zinc/69/50/61/487695061.db2.gz JLPDOMIYKNQTKX-SNVBAGLBSA-N 2 1 238.306 1.615 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(F)c1 ZINC000228618970 487695066 /nfs/dbraw/zinc/69/50/66/487695066.db2.gz JLPDOMIYKNQTKX-SNVBAGLBSA-N 2 1 238.306 1.615 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC000228619384 487695879 /nfs/dbraw/zinc/69/58/79/487695879.db2.gz XYXVXUFUAUOPJH-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC000228619384 487695886 /nfs/dbraw/zinc/69/58/86/487695886.db2.gz XYXVXUFUAUOPJH-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000395218162 262784791 /nfs/dbraw/zinc/78/47/91/262784791.db2.gz RWFQBRYXJILWAS-MROQNXINSA-N 2 1 240.391 1.920 20 0 BDADMP FCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000088026317 487699237 /nfs/dbraw/zinc/69/92/37/487699237.db2.gz SOPUWIHJXOQWAU-VXGBXAGGSA-N 2 1 214.328 1.810 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206166653 974881715 /nfs/dbraw/zinc/88/17/15/974881715.db2.gz TXWBYPRNXABNAR-NXEZZACHSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206166653 974881718 /nfs/dbraw/zinc/88/17/18/974881718.db2.gz TXWBYPRNXABNAR-NXEZZACHSA-N 2 1 243.351 1.713 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000228713526 487718412 /nfs/dbraw/zinc/71/84/12/487718412.db2.gz JIYVQNDWMPCVJM-GFCCVEGCSA-N 2 1 234.343 1.752 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000226436242 487745441 /nfs/dbraw/zinc/74/54/41/487745441.db2.gz QWJFMBDKMPTJQX-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@@H]2CCC[C@H]21 ZINC000671749743 487765835 /nfs/dbraw/zinc/76/58/35/487765835.db2.gz NCSOZURWYMQWPA-RWMBFGLXSA-N 2 1 238.375 1.221 20 0 BDADMP CC(C)[C@@H]1CN(C[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000649592834 487766677 /nfs/dbraw/zinc/76/66/77/487766677.db2.gz YHYLBFCTECAFOD-KBPBESRZSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000649592834 487766683 /nfs/dbraw/zinc/76/66/83/487766683.db2.gz YHYLBFCTECAFOD-KBPBESRZSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000649592834 487766686 /nfs/dbraw/zinc/76/66/86/487766686.db2.gz YHYLBFCTECAFOD-KBPBESRZSA-N 2 1 239.407 1.353 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000459512450 487768327 /nfs/dbraw/zinc/76/83/27/487768327.db2.gz NJOFBMHBYZQCAU-RYUDHWBXSA-N 2 1 237.347 1.366 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)CCO)[NH+]1CCCC1 ZINC000779344270 585752177 /nfs/dbraw/zinc/75/21/77/585752177.db2.gz UPGYTCFARHABQH-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccc(C)cn2)CC[C@H]1[NH3+] ZINC000251849966 487802374 /nfs/dbraw/zinc/80/23/74/487802374.db2.gz RQZNFAKZERMUOO-GXTWGEPZSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(C)cn2)CC[C@H]1[NH3+] ZINC000251849966 487802377 /nfs/dbraw/zinc/80/23/77/487802377.db2.gz RQZNFAKZERMUOO-GXTWGEPZSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@H](C)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251944129 487809510 /nfs/dbraw/zinc/80/95/10/487809510.db2.gz SVBMYSZGKKDEQN-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@H](C)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251944129 487809514 /nfs/dbraw/zinc/80/95/14/487809514.db2.gz SVBMYSZGKKDEQN-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCC[NH3+])C1 ZINC000414748522 487821450 /nfs/dbraw/zinc/82/14/50/487821450.db2.gz WRDYGDWUMHDZGH-DGCLKSJQSA-N 2 1 219.332 1.813 20 0 BDADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CCC[NH3+] ZINC000414751563 487821598 /nfs/dbraw/zinc/82/15/98/487821598.db2.gz APNTYRYTDFMHRD-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CCC[NH3+])C1 ZINC000414757895 487822074 /nfs/dbraw/zinc/82/20/74/487822074.db2.gz UEVGWICEVMTCLN-RQJABVFESA-N 2 1 240.391 1.597 20 0 BDADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000414908142 487827822 /nfs/dbraw/zinc/82/78/22/487827822.db2.gz RGYDZRYZZYCVIR-CYBMUJFWSA-N 2 1 219.332 1.622 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252724370 487831229 /nfs/dbraw/zinc/83/12/29/487831229.db2.gz XCGTXMZQEZCTMS-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](CCCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668103220 487839041 /nfs/dbraw/zinc/83/90/41/487839041.db2.gz FWXGAZXDSVIDKW-UHFFFAOYSA-N 2 1 246.314 1.082 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000252966304 487840796 /nfs/dbraw/zinc/84/07/96/487840796.db2.gz XLWMIQIIFHDQCX-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCCCCC[NH3+] ZINC000866681987 589507684 /nfs/dbraw/zinc/50/76/84/589507684.db2.gz DPCFOBIZOTYPAW-RYUDHWBXSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCCCCC[NH3+] ZINC000866681987 589507685 /nfs/dbraw/zinc/50/76/85/589507685.db2.gz DPCFOBIZOTYPAW-RYUDHWBXSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CN1CCCCCCC[NH3+] ZINC000866681987 589507686 /nfs/dbraw/zinc/50/76/86/589507686.db2.gz DPCFOBIZOTYPAW-RYUDHWBXSA-N 2 1 213.369 1.317 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000666638411 487849875 /nfs/dbraw/zinc/84/98/75/487849875.db2.gz LXZPYHRXDVZWRN-QWHCGFSZSA-N 2 1 228.380 1.454 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CC1 ZINC000666746340 487870932 /nfs/dbraw/zinc/87/09/32/487870932.db2.gz QZAHTFYXJYIJBC-TZMCWYRMSA-N 2 1 246.354 1.880 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000666770362 487877560 /nfs/dbraw/zinc/87/75/60/487877560.db2.gz WECUXOKXTGYLNL-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403813905 487890541 /nfs/dbraw/zinc/89/05/41/487890541.db2.gz LKFKCGZCJZYCQD-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccsc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856476 487891132 /nfs/dbraw/zinc/89/11/32/487891132.db2.gz KVWMAVARXIHROL-SNVBAGLBSA-N 2 1 240.372 1.988 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857765 487892243 /nfs/dbraw/zinc/89/22/43/487892243.db2.gz IIJDIUJFZPQFGC-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857765 487892247 /nfs/dbraw/zinc/89/22/47/487892247.db2.gz IIJDIUJFZPQFGC-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857765 487892252 /nfs/dbraw/zinc/89/22/52/487892252.db2.gz IIJDIUJFZPQFGC-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc2cnccc2c1 ZINC000666868629 487894508 /nfs/dbraw/zinc/89/45/08/487894508.db2.gz FYLVSSSPOUXKOQ-SNVBAGLBSA-N 2 1 215.300 1.672 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccccn23)CC[NH2+]1 ZINC000666872543 487895190 /nfs/dbraw/zinc/89/51/90/487895190.db2.gz QLDMXEYUNWUHRT-NEPJUHHUSA-N 2 1 244.342 1.564 20 0 BDADMP CCn1nccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996802 487924503 /nfs/dbraw/zinc/92/45/03/487924503.db2.gz GHQFVSGLXJXGBA-GFCCVEGCSA-N 2 1 248.374 1.667 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000404662940 487930544 /nfs/dbraw/zinc/93/05/44/487930544.db2.gz XHHAILUZVBISLW-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP Clc1cscc1C[NH2+]C[C@@H]1CNCCO1 ZINC000667036175 487933100 /nfs/dbraw/zinc/93/31/00/487933100.db2.gz OHJBZMQAWXLPRL-VIFPVBQESA-N 2 1 246.763 1.480 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000235270927 487939646 /nfs/dbraw/zinc/93/96/46/487939646.db2.gz ZYMCLBYTRDGCGM-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000090515139 487947803 /nfs/dbraw/zinc/94/78/03/487947803.db2.gz AGHFYDJFMWXCEU-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1cc(NCCC[NH+](C)C)nc(C)[nH+]1 ZINC000037498665 322828999 /nfs/dbraw/zinc/82/89/99/322828999.db2.gz SBGWDURSULURMN-UHFFFAOYSA-N 2 1 208.309 1.457 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)COC)[C@@H](C)C1 ZINC000247161032 323012232 /nfs/dbraw/zinc/01/22/32/323012232.db2.gz UEJRSMKBGCPYOA-AVGNSLFASA-N 2 1 228.380 1.589 20 0 BDADMP C[C@@H](O)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000562746407 323029808 /nfs/dbraw/zinc/02/98/08/323029808.db2.gz HDPUDQOASUMIKH-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP CCNCC[NH2+][C@@H](C)CCc1ccco1 ZINC000567638460 323034232 /nfs/dbraw/zinc/03/42/32/323034232.db2.gz BCDZDTQYOWGGNS-NSHDSACASA-N 2 1 210.321 1.800 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccco1 ZINC000567638460 323034233 /nfs/dbraw/zinc/03/42/33/323034233.db2.gz BCDZDTQYOWGGNS-NSHDSACASA-N 2 1 210.321 1.800 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000563007273 323079494 /nfs/dbraw/zinc/07/94/94/323079494.db2.gz HQKXIUOXBVPTPQ-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1CCCCC1 ZINC000308885193 323081560 /nfs/dbraw/zinc/08/15/60/323081560.db2.gz SITJHJSKRJZTDL-UHFFFAOYSA-N 2 1 207.321 1.885 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@H+]1C ZINC000563154160 323095721 /nfs/dbraw/zinc/09/57/21/323095721.db2.gz PVMGZFORPFZWFD-DOMZBBRYSA-N 3 1 247.386 1.718 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCN1C ZINC000563154160 323095722 /nfs/dbraw/zinc/09/57/22/323095722.db2.gz PVMGZFORPFZWFD-DOMZBBRYSA-N 2 1 247.386 1.718 20 0 BDADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000563154160 323095723 /nfs/dbraw/zinc/09/57/23/323095723.db2.gz PVMGZFORPFZWFD-DOMZBBRYSA-N 2 1 247.386 1.718 20 0 BDADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[N@H+]1C ZINC000563154160 323095724 /nfs/dbraw/zinc/09/57/24/323095724.db2.gz PVMGZFORPFZWFD-DOMZBBRYSA-N 2 1 247.386 1.718 20 0 BDADMP CCc1nc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000563422838 323124212 /nfs/dbraw/zinc/12/42/12/323124212.db2.gz CCUXJJQRAQOYMT-IVZWLZJFSA-N 2 1 237.351 1.288 20 0 BDADMP Cc1nc(C)c(C[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000399245252 323201517 /nfs/dbraw/zinc/20/15/17/323201517.db2.gz IFRAAFLHFOSHJC-SNVBAGLBSA-N 2 1 225.361 1.587 20 0 BDADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)C(C)C)[C@H](C)[NH3+] ZINC000399377391 323205276 /nfs/dbraw/zinc/20/52/76/323205276.db2.gz BREXNHKAEMDZRS-NWDGAFQWSA-N 2 1 243.395 1.062 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000526119508 323230625 /nfs/dbraw/zinc/23/06/25/323230625.db2.gz UOJIPJVCVGCNFV-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000526119508 323230629 /nfs/dbraw/zinc/23/06/29/323230629.db2.gz UOJIPJVCVGCNFV-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000309253549 323332835 /nfs/dbraw/zinc/33/28/35/323332835.db2.gz NRQDEHOMIAYHDP-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000563953326 323333766 /nfs/dbraw/zinc/33/37/66/323333766.db2.gz HZWMOYMZHYJXDT-CYBMUJFWSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1C(C)C ZINC000309293259 323341132 /nfs/dbraw/zinc/34/11/32/323341132.db2.gz WJKRKEUNXMCEDY-LLVKDONJSA-N 2 1 225.336 1.319 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1C(C)C ZINC000309293259 323341135 /nfs/dbraw/zinc/34/11/35/323341135.db2.gz WJKRKEUNXMCEDY-LLVKDONJSA-N 2 1 225.336 1.319 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000571682172 323346813 /nfs/dbraw/zinc/34/68/13/323346813.db2.gz KWEDRHVELGOSSG-UHFFFAOYSA-N 2 1 235.331 1.723 20 0 BDADMP C[C@@H](NCC1=CC[N@@H+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000392272985 323376743 /nfs/dbraw/zinc/37/67/43/323376743.db2.gz FBXCSYIPIUSSIP-TZMCWYRMSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000392272985 323376746 /nfs/dbraw/zinc/37/67/46/323376746.db2.gz FBXCSYIPIUSSIP-TZMCWYRMSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000392272985 323376748 /nfs/dbraw/zinc/37/67/48/323376748.db2.gz FBXCSYIPIUSSIP-TZMCWYRMSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCCN1 ZINC000392272985 323376751 /nfs/dbraw/zinc/37/67/51/323376751.db2.gz FBXCSYIPIUSSIP-TZMCWYRMSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCCN1 ZINC000392272985 323376755 /nfs/dbraw/zinc/37/67/55/323376755.db2.gz FBXCSYIPIUSSIP-TZMCWYRMSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000530224087 324543400 /nfs/dbraw/zinc/54/34/00/324543400.db2.gz KXXSHZQFDTYXCK-LVTVNPDKSA-N 2 1 226.364 1.528 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000071012023 325050319 /nfs/dbraw/zinc/05/03/19/325050319.db2.gz CAXILOIFHYMSSX-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP CSC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000133960299 325334013 /nfs/dbraw/zinc/33/40/13/325334013.db2.gz VXWYEWUXEXSNAU-SECBINFHSA-N 2 1 202.367 1.422 20 0 BDADMP CC[C@@H](C)[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309448620 487967503 /nfs/dbraw/zinc/96/75/03/487967503.db2.gz PNZVWCJPLVHTMC-YPMHNXCESA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309448620 487967507 /nfs/dbraw/zinc/96/75/07/487967507.db2.gz PNZVWCJPLVHTMC-YPMHNXCESA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309448620 487967511 /nfs/dbraw/zinc/96/75/11/487967511.db2.gz PNZVWCJPLVHTMC-YPMHNXCESA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309448620 487967512 /nfs/dbraw/zinc/96/75/12/487967512.db2.gz PNZVWCJPLVHTMC-YPMHNXCESA-N 2 1 228.380 1.562 20 0 BDADMP CCCCNC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000566411895 326041142 /nfs/dbraw/zinc/04/11/42/326041142.db2.gz MSQJWVGNFLCSCG-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP [NH3+]C1(c2noc(C[NH2+]CC3CC3)n2)CCCC1 ZINC000566678179 326073511 /nfs/dbraw/zinc/07/35/11/326073511.db2.gz UMBVZTYOODNYJG-UHFFFAOYSA-N 2 1 236.319 1.297 20 0 BDADMP c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000566678680 326073612 /nfs/dbraw/zinc/07/36/12/326073612.db2.gz HUTUVBAVGQGXMM-NWDGAFQWSA-N 2 1 235.331 1.496 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566689806 326075365 /nfs/dbraw/zinc/07/53/65/326075365.db2.gz VKEDBPZXVWWSSW-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCN(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566689806 326075367 /nfs/dbraw/zinc/07/53/67/326075367.db2.gz VKEDBPZXVWWSSW-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@@H+](CCCC[NH2+]CC1(O)CCCC1)C1CC1 ZINC000566969080 326096353 /nfs/dbraw/zinc/09/63/53/326096353.db2.gz SEXUMCWQVVSIPT-UHFFFAOYSA-N 2 1 240.391 1.756 20 0 BDADMP FC(F)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000567471863 326198246 /nfs/dbraw/zinc/19/82/46/326198246.db2.gz QHISUVSDXVCXFK-GDNZZTSVSA-N 2 1 238.281 1.932 20 0 BDADMP C[C@@H](Cc1[nH]cc[nH+]1)OCC[C@H]1CC[NH2+]C1 ZINC000567810841 326260867 /nfs/dbraw/zinc/26/08/67/326260867.db2.gz JJYKOFHTHBWDSJ-WDEREUQCSA-N 2 1 223.320 1.357 20 0 BDADMP Cc1noc(CCC[NH2+][C@](C)(C[NH3+])C2CC2)n1 ZINC000567897505 326278680 /nfs/dbraw/zinc/27/86/80/326278680.db2.gz YOIWELDOVCJCHW-GFCCVEGCSA-N 2 1 238.335 1.028 20 0 BDADMP OCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000568771807 326376802 /nfs/dbraw/zinc/37/68/02/326376802.db2.gz GPUQSLRCAFWYFP-UHFFFAOYSA-N 2 1 246.354 1.289 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000573204566 326435142 /nfs/dbraw/zinc/43/51/42/326435142.db2.gz AQFKFHITWSIWMS-VIFPVBQESA-N 2 1 221.304 1.206 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000235510038 487975584 /nfs/dbraw/zinc/97/55/84/487975584.db2.gz WBCZKVQOQCCANP-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172745334 974918559 /nfs/dbraw/zinc/91/85/59/974918559.db2.gz CUMKSRRCFHZFNV-SNVBAGLBSA-N 2 1 230.352 1.434 20 0 BDADMP Cc1[nH+]ccn1Cc1cccc2c1CC[NH2+]C2 ZINC000142693909 487978994 /nfs/dbraw/zinc/97/89/94/487978994.db2.gz RBZDWEACGQBNCQ-UHFFFAOYSA-N 2 1 227.311 1.886 20 0 BDADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cn1 ZINC000220429315 487983035 /nfs/dbraw/zinc/98/30/35/487983035.db2.gz WYPSHRWGNYEKFF-LBPRGKRZSA-N 2 1 249.358 1.522 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cn1 ZINC000220429315 487983040 /nfs/dbraw/zinc/98/30/40/487983040.db2.gz WYPSHRWGNYEKFF-LBPRGKRZSA-N 2 1 249.358 1.522 20 0 BDADMP CC[C@@H]1CO[C@@H](C)CN1Cc1c[nH+]c(C)n1C ZINC000667475080 488020295 /nfs/dbraw/zinc/02/02/95/488020295.db2.gz CRCUPCVERQIWEZ-CMPLNLGQSA-N 2 1 237.347 1.728 20 0 BDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947025 488023457 /nfs/dbraw/zinc/02/34/57/488023457.db2.gz JMCCDHSNEDQKRE-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947025 488023460 /nfs/dbraw/zinc/02/34/60/488023460.db2.gz JMCCDHSNEDQKRE-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947025 488023463 /nfs/dbraw/zinc/02/34/63/488023463.db2.gz JMCCDHSNEDQKRE-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947025 488023467 /nfs/dbraw/zinc/02/34/67/488023467.db2.gz JMCCDHSNEDQKRE-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP CCOCC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147435725 488023665 /nfs/dbraw/zinc/02/36/65/488023665.db2.gz YRYLSENWZNCVFI-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947028 488023737 /nfs/dbraw/zinc/02/37/37/488023737.db2.gz JMCCDHSNEDQKRE-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947028 488023741 /nfs/dbraw/zinc/02/37/41/488023741.db2.gz JMCCDHSNEDQKRE-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947028 488023744 /nfs/dbraw/zinc/02/37/44/488023744.db2.gz JMCCDHSNEDQKRE-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947028 488023747 /nfs/dbraw/zinc/02/37/47/488023747.db2.gz JMCCDHSNEDQKRE-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000147449129 488024389 /nfs/dbraw/zinc/02/43/89/488024389.db2.gz SZTMSVLJDDDWEF-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000045706807 488026674 /nfs/dbraw/zinc/02/66/74/488026674.db2.gz NTVNTMFXQSKBCA-VWYCJHECSA-N 2 1 200.326 1.081 20 0 BDADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)on1 ZINC000677475164 488045303 /nfs/dbraw/zinc/04/53/03/488045303.db2.gz XTBWVXOLMHXZLY-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)on1 ZINC000677475164 488045306 /nfs/dbraw/zinc/04/53/06/488045306.db2.gz XTBWVXOLMHXZLY-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)on1 ZINC000677475164 488045309 /nfs/dbraw/zinc/04/53/09/488045309.db2.gz XTBWVXOLMHXZLY-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)on1 ZINC000677475164 488045312 /nfs/dbraw/zinc/04/53/12/488045312.db2.gz XTBWVXOLMHXZLY-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000389467086 488097660 /nfs/dbraw/zinc/09/76/60/488097660.db2.gz UBSRJWWTUICBRL-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000389467086 488097666 /nfs/dbraw/zinc/09/76/66/488097666.db2.gz UBSRJWWTUICBRL-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000402844334 488103914 /nfs/dbraw/zinc/10/39/14/488103914.db2.gz PYHIVCZISGXSMR-CHWSQXEVSA-N 2 1 248.374 1.400 20 0 BDADMP CCOCC[N@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000382417685 487541783 /nfs/dbraw/zinc/54/17/83/487541783.db2.gz NYJDYOMVACAYTE-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP CCOCC[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000382417685 487541792 /nfs/dbraw/zinc/54/17/92/487541792.db2.gz NYJDYOMVACAYTE-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP CCOCC[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000382417685 487541797 /nfs/dbraw/zinc/54/17/97/487541797.db2.gz NYJDYOMVACAYTE-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP CCOCC[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000382417685 487541805 /nfs/dbraw/zinc/54/18/05/487541805.db2.gz NYJDYOMVACAYTE-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674301989 487554862 /nfs/dbraw/zinc/55/48/62/487554862.db2.gz IJIWRWVVPXPNIV-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CCCn1nccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000310267297 487490088 /nfs/dbraw/zinc/49/00/88/487490088.db2.gz RVTCEOYBGYTKJY-LBPRGKRZSA-N 2 1 238.379 1.580 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399710074 487496651 /nfs/dbraw/zinc/49/66/51/487496651.db2.gz YIHFSEHRVWDOMB-RNJOBUHISA-N 2 1 228.380 1.275 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399710074 487496658 /nfs/dbraw/zinc/49/66/58/487496658.db2.gz YIHFSEHRVWDOMB-RNJOBUHISA-N 2 1 228.380 1.275 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399710074 487496665 /nfs/dbraw/zinc/49/66/65/487496665.db2.gz YIHFSEHRVWDOMB-RNJOBUHISA-N 2 1 228.380 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399710074 487496672 /nfs/dbraw/zinc/49/66/72/487496672.db2.gz YIHFSEHRVWDOMB-RNJOBUHISA-N 2 1 228.380 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399710074 487496676 /nfs/dbraw/zinc/49/66/76/487496676.db2.gz YIHFSEHRVWDOMB-RNJOBUHISA-N 2 1 228.380 1.275 20 0 BDADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000679997365 487512534 /nfs/dbraw/zinc/51/25/34/487512534.db2.gz LIZJYEFSJGABBS-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662267794 487509405 /nfs/dbraw/zinc/50/94/05/487509405.db2.gz YTQJAHXYBKQJPR-CYZMBNFOSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274261 487522945 /nfs/dbraw/zinc/52/29/45/487522945.db2.gz SJONQBIKAPVXBY-STQMWFEESA-N 2 1 249.358 1.805 20 0 BDADMP C[C@H](O)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000666128665 487525161 /nfs/dbraw/zinc/52/51/61/487525161.db2.gz SXTZWCJYUFAAKD-XQQFMLRXSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@H](CO)C(C)(C)C ZINC000393974657 488092718 /nfs/dbraw/zinc/09/27/18/488092718.db2.gz SUQXVXGRWAWTMM-SNVBAGLBSA-N 2 1 216.369 1.371 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667860360 488140505 /nfs/dbraw/zinc/14/05/05/488140505.db2.gz NGPVMLIVGYTJRS-BNOWGMLFSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC2CCC2)CCO1 ZINC000398647295 488147529 /nfs/dbraw/zinc/14/75/29/488147529.db2.gz KFYZYSKWWJFBEQ-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC2CCC2)CCO1 ZINC000398647295 488147531 /nfs/dbraw/zinc/14/75/31/488147531.db2.gz KFYZYSKWWJFBEQ-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1ccnn1C ZINC000230745515 488150457 /nfs/dbraw/zinc/15/04/57/488150457.db2.gz SPAWECSDJGCLLO-AAEUAGOBSA-N 2 1 236.363 1.164 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1ccnn1C ZINC000230745515 488150459 /nfs/dbraw/zinc/15/04/59/488150459.db2.gz SPAWECSDJGCLLO-AAEUAGOBSA-N 2 1 236.363 1.164 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCC(C)C ZINC000379850855 488154758 /nfs/dbraw/zinc/15/47/58/488154758.db2.gz AOYRKZZJDXSMRF-GFCCVEGCSA-N 2 1 216.369 1.277 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC(C)C ZINC000379850855 488154764 /nfs/dbraw/zinc/15/47/64/488154764.db2.gz AOYRKZZJDXSMRF-GFCCVEGCSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCC(C)C ZINC000379850855 488154766 /nfs/dbraw/zinc/15/47/66/488154766.db2.gz AOYRKZZJDXSMRF-GFCCVEGCSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC(C)C ZINC000379850855 488154771 /nfs/dbraw/zinc/15/47/71/488154771.db2.gz AOYRKZZJDXSMRF-GFCCVEGCSA-N 2 1 216.369 1.277 20 0 BDADMP CN(C)c1nc(NC[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000085432094 488171380 /nfs/dbraw/zinc/17/13/80/488171380.db2.gz FKEODPHWZQHDGZ-SNVBAGLBSA-N 2 1 235.335 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc3n2CCC3)CC[C@@H]1O ZINC000668011439 488184281 /nfs/dbraw/zinc/18/42/81/488184281.db2.gz BBJDMYOPGSENOX-PWSUYJOCSA-N 2 1 235.331 1.032 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCOC1 ZINC000678073240 488192307 /nfs/dbraw/zinc/19/23/07/488192307.db2.gz OGYTXIUZDUWFEF-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000678073240 488192310 /nfs/dbraw/zinc/19/23/10/488192310.db2.gz OGYTXIUZDUWFEF-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCOC1 ZINC000678073240 488192314 /nfs/dbraw/zinc/19/23/14/488192314.db2.gz OGYTXIUZDUWFEF-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP c1nc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000678342780 488243208 /nfs/dbraw/zinc/24/32/08/488243208.db2.gz HUNSNBZNPQRKSE-RYUDHWBXSA-N 2 1 242.326 1.214 20 0 BDADMP c1nc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2[nH]1 ZINC000678342780 488243211 /nfs/dbraw/zinc/24/32/11/488243211.db2.gz HUNSNBZNPQRKSE-RYUDHWBXSA-N 2 1 242.326 1.214 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCOC2)CC[N@@H+]1C ZINC000678549702 488266618 /nfs/dbraw/zinc/26/66/18/488266618.db2.gz WKKCDGKJBJAVTB-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCOC2)CC[N@H+]1C ZINC000678549702 488266621 /nfs/dbraw/zinc/26/66/21/488266621.db2.gz WKKCDGKJBJAVTB-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000684372539 488302166 /nfs/dbraw/zinc/30/21/66/488302166.db2.gz QYFWMVAMCNIXIM-MJBXVCDLSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679334034 488341163 /nfs/dbraw/zinc/34/11/63/488341163.db2.gz FKXUSOXDXXGLEL-CYZMBNFOSA-N 2 1 248.374 1.996 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679334034 488341165 /nfs/dbraw/zinc/34/11/65/488341165.db2.gz FKXUSOXDXXGLEL-CYZMBNFOSA-N 2 1 248.374 1.996 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000679338265 488341321 /nfs/dbraw/zinc/34/13/21/488341321.db2.gz JTTVAECQHVFVQV-VIFPVBQESA-N 2 1 233.319 1.574 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679340020 488341833 /nfs/dbraw/zinc/34/18/33/488341833.db2.gz MYYYOBLAOVTHAT-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccn2ccnc2c1 ZINC000684853167 488348627 /nfs/dbraw/zinc/34/86/27/488348627.db2.gz GNNMKMNKVKYVIG-UHFFFAOYSA-N 2 1 246.314 1.613 20 0 BDADMP CC(C)N(C)CC(=O)Nc1ccn2ccnc2c1 ZINC000684853167 488348630 /nfs/dbraw/zinc/34/86/30/488348630.db2.gz GNNMKMNKVKYVIG-UHFFFAOYSA-N 2 1 246.314 1.613 20 0 BDADMP [NH3+]CCC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000415121858 490214823 /nfs/dbraw/zinc/21/48/23/490214823.db2.gz KYLFOKRPWZSZRP-CHWSQXEVSA-N 2 1 220.316 1.143 20 0 BDADMP Cc1ncccc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000655938258 490264428 /nfs/dbraw/zinc/26/44/28/490264428.db2.gz QEMPYCODDBGXNQ-ZDUSSCGKSA-N 2 1 219.332 1.607 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335516677 490394820 /nfs/dbraw/zinc/39/48/20/490394820.db2.gz RZHINHCZPVQNDU-GFJIZPEISA-N 3 1 239.407 1.447 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CO)[C@H](C)C1 ZINC000131072320 490484786 /nfs/dbraw/zinc/48/47/86/490484786.db2.gz IWTSZTYEOWJOQJ-VXGBXAGGSA-N 2 1 228.380 1.325 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C1CSC1 ZINC000075127678 490515786 /nfs/dbraw/zinc/51/57/86/490515786.db2.gz ODNINOWCWUJQTP-UHFFFAOYSA-N 2 1 202.367 1.423 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000300916495 490572789 /nfs/dbraw/zinc/57/27/89/490572789.db2.gz YXKOLQJYPHSCPT-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000300916493 490573254 /nfs/dbraw/zinc/57/32/54/490573254.db2.gz YXKOLQJYPHSCPT-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCS[C@H]2C)CC1 ZINC000220513056 490604206 /nfs/dbraw/zinc/60/42/06/490604206.db2.gz XKTKUAUOLUJJGF-CMPLNLGQSA-N 2 1 228.405 1.954 20 0 BDADMP Cc1cncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000227300547 491057079 /nfs/dbraw/zinc/05/70/79/491057079.db2.gz JXXSGZYMCBCUPA-STQMWFEESA-N 2 1 217.316 1.041 20 0 BDADMP Cc1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)cn1 ZINC000655937805 491098784 /nfs/dbraw/zinc/09/87/84/491098784.db2.gz GDDOKERWEMYNES-CYBMUJFWSA-N 2 1 219.332 1.607 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000400613438 491132917 /nfs/dbraw/zinc/13/29/17/491132917.db2.gz XFTBOVRZIUZWSU-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CCCCO ZINC000309381691 491147717 /nfs/dbraw/zinc/14/77/17/491147717.db2.gz SAUGKNWZFLLQSD-ZDUSSCGKSA-N 2 1 230.396 1.857 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000309810842 491156402 /nfs/dbraw/zinc/15/64/02/491156402.db2.gz YXSHRFSJYPRXRN-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000309094697 533896732 /nfs/dbraw/zinc/89/67/32/533896732.db2.gz CJQGZCOSNSAITF-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000309094697 533896740 /nfs/dbraw/zinc/89/67/40/533896740.db2.gz CJQGZCOSNSAITF-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000846220784 582652505 /nfs/dbraw/zinc/65/25/05/582652505.db2.gz QBNOQBHYGRIZPH-OKILXGFUSA-N 3 1 239.407 1.437 20 0 BDADMP COc1ccccc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400352936 534046761 /nfs/dbraw/zinc/04/67/61/534046761.db2.gz ACXMHZHZQQGGJG-TZMCWYRMSA-N 2 1 248.370 1.968 20 0 BDADMP CCc1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C)[nH+]1 ZINC000261586619 536126165 /nfs/dbraw/zinc/12/61/65/536126165.db2.gz UNTOSTHXXNSADI-TUAOUCFPSA-N 2 1 246.358 1.521 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000336119418 536135773 /nfs/dbraw/zinc/13/57/73/536135773.db2.gz NAQMRNHHZWFPMM-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1[N@@H+](CC2CC[NH+](C)CC2)CCOC1(C)C ZINC000892068414 582783528 /nfs/dbraw/zinc/78/35/28/582783528.db2.gz NEQMXMWODARTNY-LBPRGKRZSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CO)C1 ZINC000225974689 536353487 /nfs/dbraw/zinc/35/34/87/536353487.db2.gz AFBUHSODFOFKFZ-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](CO)C1 ZINC000225974689 536353488 /nfs/dbraw/zinc/35/34/88/536353488.db2.gz AFBUHSODFOFKFZ-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](CO)C1 ZINC000225974689 536353491 /nfs/dbraw/zinc/35/34/91/536353491.db2.gz AFBUHSODFOFKFZ-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CC(C)(C)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257680728 534606036 /nfs/dbraw/zinc/60/60/36/534606036.db2.gz GXOVKIPWUKIJEY-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261852109 534613325 /nfs/dbraw/zinc/61/33/25/534613325.db2.gz BGMRCRFMYTVLTA-JHJVBQTASA-N 2 1 240.391 1.779 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC000173364403 527805843 /nfs/dbraw/zinc/80/58/43/527805843.db2.gz ZBFONQGKCCCOEW-DGCLKSJQSA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC000173364403 527805849 /nfs/dbraw/zinc/80/58/49/527805849.db2.gz ZBFONQGKCCCOEW-DGCLKSJQSA-N 2 1 236.363 1.240 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400551017 528824274 /nfs/dbraw/zinc/82/42/74/528824274.db2.gz XNPGPEOOHWBGTA-RYUDHWBXSA-N 2 1 213.369 1.057 20 0 BDADMP CC[C@H](C)NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400767971 529154511 /nfs/dbraw/zinc/15/45/11/529154511.db2.gz ZOEIHLXNVLFOSA-QJPTWQEYSA-N 2 1 241.379 1.021 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249107069 534958301 /nfs/dbraw/zinc/95/83/01/534958301.db2.gz PTBSYXJZTINQMW-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000261582486 535176605 /nfs/dbraw/zinc/17/66/05/535176605.db2.gz OJLAMPWZEBMRHP-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)C(C)C)CC1 ZINC000087538358 535457238 /nfs/dbraw/zinc/45/72/38/535457238.db2.gz APINKNPMYCHBOC-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)C(C)C)CC1 ZINC000087538358 535457241 /nfs/dbraw/zinc/45/72/41/535457241.db2.gz APINKNPMYCHBOC-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2nccs2)CC1 ZINC000087391461 535459750 /nfs/dbraw/zinc/45/97/50/535459750.db2.gz YFYCBLNVVKXSKG-UHFFFAOYSA-N 2 1 239.388 1.965 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H](C)C1 ZINC000335676429 535767901 /nfs/dbraw/zinc/76/79/01/535767901.db2.gz PSLZWCZWKASMAT-RYSNWHEDSA-N 3 1 239.407 1.576 20 0 BDADMP CCN1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H](C)C1 ZINC000335676429 535767904 /nfs/dbraw/zinc/76/79/04/535767904.db2.gz PSLZWCZWKASMAT-RYSNWHEDSA-N 2 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCC2)[C@@H](C)C1 ZINC000248409398 535768776 /nfs/dbraw/zinc/76/87/76/535768776.db2.gz FXFPQRNEHWDHOD-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251889073 535846436 /nfs/dbraw/zinc/84/64/36/535846436.db2.gz WSQIXEOSQQLNLT-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251889073 535846442 /nfs/dbraw/zinc/84/64/42/535846442.db2.gz WSQIXEOSQQLNLT-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000251889073 535846443 /nfs/dbraw/zinc/84/64/43/535846443.db2.gz WSQIXEOSQQLNLT-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000179637542 535944760 /nfs/dbraw/zinc/94/47/60/535944760.db2.gz OSWYXJXRHIHLDP-LBPRGKRZSA-N 2 1 224.348 1.217 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252724116 535994591 /nfs/dbraw/zinc/99/45/91/535994591.db2.gz WKXYHMTWPWFCEF-WISYIIOYSA-N 2 1 214.353 1.076 20 0 BDADMP CCc1nc(NCC[C@@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000261564598 536126369 /nfs/dbraw/zinc/12/63/69/536126369.db2.gz XTOCJSLJMWNCKI-NSHDSACASA-N 2 1 234.347 1.759 20 0 BDADMP C[N@@H+](CCC1CCOCC1)CC1CC[NH2+]CC1 ZINC000178974651 536326298 /nfs/dbraw/zinc/32/62/98/536326298.db2.gz LVLKOZUXXAWJPY-UHFFFAOYSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)CC1 ZINC000335724490 536345918 /nfs/dbraw/zinc/34/59/18/536345918.db2.gz YTNDTZUEBFLCDA-ZDUSSCGKSA-N 2 1 248.374 1.573 20 0 BDADMP C[N@@H+](CCOCC1CC1)C1CC[NH2+]CC1 ZINC000087399732 536393559 /nfs/dbraw/zinc/39/35/59/536393559.db2.gz YRWNJIUAECTERK-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000335901305 536395259 /nfs/dbraw/zinc/39/52/59/536395259.db2.gz XEKNDRKJRCSNER-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000335901305 536395260 /nfs/dbraw/zinc/39/52/60/536395260.db2.gz XEKNDRKJRCSNER-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000335901305 536395262 /nfs/dbraw/zinc/39/52/62/536395262.db2.gz XEKNDRKJRCSNER-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1SCCS1 ZINC000853022929 588716594 /nfs/dbraw/zinc/71/65/94/588716594.db2.gz HVRWQTITVIBUST-ZJUUUORDSA-N 2 1 246.445 1.852 20 0 BDADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1SCCS1 ZINC000853023372 588716751 /nfs/dbraw/zinc/71/67/51/588716751.db2.gz VDPMGSVNBJBFIO-AOOOYVTPSA-N 2 1 244.429 1.334 20 0 BDADMP c1ncc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000112341326 588794730 /nfs/dbraw/zinc/79/47/30/588794730.db2.gz BJZRZLCECQCESE-CHWSQXEVSA-N 2 1 232.331 1.193 20 0 BDADMP CCN1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1C ZINC000891993955 582756036 /nfs/dbraw/zinc/75/60/36/582756036.db2.gz XJCMVOAZVAMDIT-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+]1CCN(CC2CC[NH+](C)CC2)C[C@H]1C ZINC000891993955 582756039 /nfs/dbraw/zinc/75/60/39/582756039.db2.gz XJCMVOAZVAMDIT-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CCN(CC2CC[NH+](C)CC2)C[C@H]1C ZINC000891993955 582756040 /nfs/dbraw/zinc/75/60/40/582756040.db2.gz XJCMVOAZVAMDIT-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892034752 582766899 /nfs/dbraw/zinc/76/68/99/582766899.db2.gz UGKPJINXTTXWHF-AWEZNQCLSA-N 3 1 239.407 1.212 20 0 BDADMP CN(C)C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892034752 582766901 /nfs/dbraw/zinc/76/69/01/582766901.db2.gz UGKPJINXTTXWHF-AWEZNQCLSA-N 2 1 239.407 1.212 20 0 BDADMP CN(C)C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892034752 582766903 /nfs/dbraw/zinc/76/69/03/582766903.db2.gz UGKPJINXTTXWHF-AWEZNQCLSA-N 2 1 239.407 1.212 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCOC3(CCC3)C2)CC1 ZINC000892106210 582792479 /nfs/dbraw/zinc/79/24/79/582792479.db2.gz UAKKQSKWSBAOCL-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC[N@H+](CC[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000892802830 582985008 /nfs/dbraw/zinc/98/50/08/582985008.db2.gz WEARDBYOTLPYRX-UHFFFAOYSA-N 3 1 241.423 1.648 20 0 BDADMP CC[N@@H+](CC[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000892802830 582985009 /nfs/dbraw/zinc/98/50/09/582985009.db2.gz WEARDBYOTLPYRX-UHFFFAOYSA-N 3 1 241.423 1.648 20 0 BDADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2CO)C[N@H+]1C1CC1 ZINC000892875631 583001995 /nfs/dbraw/zinc/00/19/95/583001995.db2.gz HEOIOACYRPJDHV-ZYHUDNBSSA-N 2 1 247.342 1.033 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000893399995 583136491 /nfs/dbraw/zinc/13/64/91/583136491.db2.gz BZAHXFLOZZRFOH-AWEZNQCLSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCOCC3)CC[C@H]21 ZINC000877744558 583345487 /nfs/dbraw/zinc/34/54/87/583345487.db2.gz VKOFIEHOBXNYKM-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCOCC3)CC[C@H]21 ZINC000877744558 583345491 /nfs/dbraw/zinc/34/54/91/583345491.db2.gz VKOFIEHOBXNYKM-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCOCC3)CC[C@H]21 ZINC000877744558 583345492 /nfs/dbraw/zinc/34/54/92/583345492.db2.gz VKOFIEHOBXNYKM-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCOCC3)CC[C@H]21 ZINC000877744558 583345495 /nfs/dbraw/zinc/34/54/95/583345495.db2.gz VKOFIEHOBXNYKM-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)[C@H](O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000878163169 583365449 /nfs/dbraw/zinc/36/54/49/583365449.db2.gz OLIRJONFFCYOMI-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000878163169 583365452 /nfs/dbraw/zinc/36/54/52/583365452.db2.gz OLIRJONFFCYOMI-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000878163169 583365455 /nfs/dbraw/zinc/36/54/55/583365455.db2.gz OLIRJONFFCYOMI-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000878163169 583365457 /nfs/dbraw/zinc/36/54/57/583365457.db2.gz OLIRJONFFCYOMI-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000857226502 588896138 /nfs/dbraw/zinc/89/61/38/588896138.db2.gz QDDMBJULAAGOHI-AVGNSLFASA-N 2 1 224.348 1.226 20 0 BDADMP C[C@H]1C[C@@H]1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894377752 583441615 /nfs/dbraw/zinc/44/16/15/583441615.db2.gz FWZZOIKECRLHAT-UONOGXRCSA-N 2 1 239.407 1.260 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000894456890 583464175 /nfs/dbraw/zinc/46/41/75/583464175.db2.gz RPLLMDKLBSQFHD-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP CN(CC[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000894477338 583470115 /nfs/dbraw/zinc/47/01/15/583470115.db2.gz ONQPCWMNNMQWCC-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894984791 583564323 /nfs/dbraw/zinc/56/43/23/583564323.db2.gz KNGUDXONAJRRBT-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CC3(C)CCC3)C[C@@H]2C1 ZINC000335217232 583613114 /nfs/dbraw/zinc/61/31/14/583613114.db2.gz JNIRNIPDICFQCG-TXEJJXNPSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3(C)CCC3)C[C@@H]2C1 ZINC000335217232 583613116 /nfs/dbraw/zinc/61/31/16/583613116.db2.gz JNIRNIPDICFQCG-TXEJJXNPSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3(C)CCC3)C[C@@H]2C1 ZINC000335217232 583613118 /nfs/dbraw/zinc/61/31/18/583613118.db2.gz JNIRNIPDICFQCG-TXEJJXNPSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](CCF)C2)CC1 ZINC000895628285 583698333 /nfs/dbraw/zinc/69/83/33/583698333.db2.gz OMYGCFOLZCLAGE-CYBMUJFWSA-N 2 1 244.354 1.389 20 0 BDADMP C[C@H]1[C@H](Nc2cc(NC3CC3)ncn2)CC[N@H+]1C ZINC000895736248 583717768 /nfs/dbraw/zinc/71/77/68/583717768.db2.gz IRTFUIIBNHLDBL-GXSJLCMTSA-N 2 1 247.346 1.555 20 0 BDADMP C[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC000895767570 583723375 /nfs/dbraw/zinc/72/33/75/583723375.db2.gz NXIDKCXVRLJVGX-MRVPVSSYSA-N 2 1 245.248 1.638 20 0 BDADMP CC[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c(C)c1 ZINC000895802248 583731795 /nfs/dbraw/zinc/73/17/95/583731795.db2.gz PZMIKFOQELRLIK-CYBMUJFWSA-N 2 1 249.358 1.335 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858132149 588934658 /nfs/dbraw/zinc/93/46/58/588934658.db2.gz UKKPGWBBZCSIIX-LBPRGKRZSA-N 2 1 237.322 1.652 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858132149 588934660 /nfs/dbraw/zinc/93/46/60/588934660.db2.gz UKKPGWBBZCSIIX-LBPRGKRZSA-N 2 1 237.322 1.652 20 0 BDADMP Cc1conc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000872142822 583948213 /nfs/dbraw/zinc/94/82/13/583948213.db2.gz FMVJHZXMFGMHGO-ZDUSSCGKSA-N 2 1 249.358 1.805 20 0 BDADMP OCc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000858346462 588947709 /nfs/dbraw/zinc/94/77/09/588947709.db2.gz NABVTHXIIXDXLJ-NSHDSACASA-N 2 1 247.342 1.470 20 0 BDADMP OCc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000858346461 588947722 /nfs/dbraw/zinc/94/77/22/588947722.db2.gz NABVTHXIIXDXLJ-LLVKDONJSA-N 2 1 247.342 1.470 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC3(C)CC3)C[C@]2(C)C1 ZINC000897620055 584032387 /nfs/dbraw/zinc/03/23/87/584032387.db2.gz FNJVNXOVPICPCD-YPMHNXCESA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3(C)CC3)C[C@]2(C)C1 ZINC000897620055 584032389 /nfs/dbraw/zinc/03/23/89/584032389.db2.gz FNJVNXOVPICPCD-YPMHNXCESA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3(C)CC3)C[C@]2(C)C1 ZINC000897620055 584032391 /nfs/dbraw/zinc/03/23/91/584032391.db2.gz FNJVNXOVPICPCD-YPMHNXCESA-N 2 1 208.349 1.670 20 0 BDADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858402929 588951326 /nfs/dbraw/zinc/95/13/26/588951326.db2.gz OEXUXYVDRPDBAI-NSHDSACASA-N 2 1 235.331 1.328 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CC2)[C@@H](C)C1 ZINC000898202878 584089761 /nfs/dbraw/zinc/08/97/61/584089761.db2.gz DXZDVCZEMIXIGW-UBHSHLNASA-N 2 1 240.391 1.467 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+](C)CC1=CCCOC1 ZINC000898308312 584109560 /nfs/dbraw/zinc/10/95/60/584109560.db2.gz XMAHCANLVMDLEQ-UHFFFAOYSA-N 2 1 240.391 1.853 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC1=CCCOC1 ZINC000898308312 584109563 /nfs/dbraw/zinc/10/95/63/584109563.db2.gz XMAHCANLVMDLEQ-UHFFFAOYSA-N 2 1 240.391 1.853 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000866666708 584121572 /nfs/dbraw/zinc/12/15/72/584121572.db2.gz VFPHVHBOZLIKCD-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](O)CC(C)(C)C2)CC[NH2+]1 ZINC000873221796 584127196 /nfs/dbraw/zinc/12/71/96/584127196.db2.gz QHHWARBPAOLLGI-JHJVBQTASA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])N[C@H](C)C1CC1)C1CC1 ZINC000899264336 584188741 /nfs/dbraw/zinc/18/87/41/584188741.db2.gz BUPPCEIVZZCYPW-SNVBAGLBSA-N 2 1 238.379 1.383 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899264620 584188758 /nfs/dbraw/zinc/18/87/58/584188758.db2.gz ISLPYTCTKXJDKY-JTQLQIEISA-N 2 1 226.368 1.239 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899264415 584188970 /nfs/dbraw/zinc/18/89/70/584188970.db2.gz FELYECUBGRNXBJ-QWRGUYRKSA-N 2 1 240.395 1.629 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C1CCCC1 ZINC000899912387 584253430 /nfs/dbraw/zinc/25/34/30/584253430.db2.gz JCFSQIGLUXDMIO-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C1CCCC1 ZINC000899912387 584253431 /nfs/dbraw/zinc/25/34/31/584253431.db2.gz JCFSQIGLUXDMIO-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1C1CCCC1 ZINC000899912387 584253432 /nfs/dbraw/zinc/25/34/32/584253432.db2.gz JCFSQIGLUXDMIO-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1C1CCCC1 ZINC000899912387 584253433 /nfs/dbraw/zinc/25/34/33/584253433.db2.gz JCFSQIGLUXDMIO-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000858620499 588971264 /nfs/dbraw/zinc/97/12/64/588971264.db2.gz LIRFFURGGBFTRW-ZDUSSCGKSA-N 2 1 249.358 1.859 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000902405639 584573019 /nfs/dbraw/zinc/57/30/19/584573019.db2.gz JOWBBSKFYMKGBF-ZDUSSCGKSA-N 2 1 232.327 1.851 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902407572 584574546 /nfs/dbraw/zinc/57/45/46/584574546.db2.gz QVQAAKHUAJGMOG-QWRGUYRKSA-N 2 1 212.337 1.273 20 0 BDADMP C[C@@H](CCC(F)(F)F)[NH2+]CC1([NH3+])CC1 ZINC000902407764 584575043 /nfs/dbraw/zinc/57/50/43/584575043.db2.gz UAMJCZLKJJVIET-ZETCQYMHSA-N 2 1 210.243 1.798 20 0 BDADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccncc1 ZINC000902408248 584575305 /nfs/dbraw/zinc/57/53/05/584575305.db2.gz YNZUFRCRWGLNED-NSHDSACASA-N 2 1 205.305 1.614 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402222 584587201 /nfs/dbraw/zinc/58/72/01/584587201.db2.gz JENIAEMEDABCSF-LLVKDONJSA-N 3 1 227.396 1.482 20 0 BDADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CC1)CC2 ZINC000902415576 584589655 /nfs/dbraw/zinc/58/96/55/584589655.db2.gz JBRKPKSSKLDHQI-CYBMUJFWSA-N 2 1 232.327 1.763 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)COC2 ZINC000902415579 584589748 /nfs/dbraw/zinc/58/97/48/584589748.db2.gz JCKOIVOVYSBJFM-SNVBAGLBSA-N 2 1 232.327 1.859 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000902446178 584593927 /nfs/dbraw/zinc/59/39/27/584593927.db2.gz SGDYNZYBLKPIFD-WDEREUQCSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429485 584594568 /nfs/dbraw/zinc/59/45/68/584594568.db2.gz LZYDCQCYVYWIGT-RQJABVFESA-N 2 1 240.391 1.658 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000902431717 584595683 /nfs/dbraw/zinc/59/56/83/584595683.db2.gz UFTFMULUGTYLHT-AGIUHOORSA-N 2 1 238.375 1.674 20 0 BDADMP NOCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000902414996 584600423 /nfs/dbraw/zinc/60/04/23/584600423.db2.gz IVZYNBZPGLAOOU-ZIAGYGMSSA-N 2 1 249.358 1.350 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000902473955 584602288 /nfs/dbraw/zinc/60/22/88/584602288.db2.gz AWJMYYYNLJTCQN-MBJXGIAVSA-N 2 1 238.375 1.673 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCSCC1 ZINC000902447767 584604682 /nfs/dbraw/zinc/60/46/82/584604682.db2.gz VLAXBPWQSADTDM-JTQLQIEISA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000902449427 584606061 /nfs/dbraw/zinc/60/60/61/584606061.db2.gz OGCIAGJQRPHTMO-VWYCJHECSA-N 2 1 212.337 1.142 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000902453634 584608232 /nfs/dbraw/zinc/60/82/32/584608232.db2.gz CVPCRXLVYIQLNI-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000902453634 584608234 /nfs/dbraw/zinc/60/82/34/584608234.db2.gz CVPCRXLVYIQLNI-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902454167 584608686 /nfs/dbraw/zinc/60/86/86/584608686.db2.gz GPPIJCZPZFFECV-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]2CCC[C@@H]21 ZINC000902470621 584616656 /nfs/dbraw/zinc/61/66/56/584616656.db2.gz YXFWHCNSIRCEOQ-VMCMIOBHSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1c[nH+]ccc1N ZINC000902502914 584620367 /nfs/dbraw/zinc/62/03/67/584620367.db2.gz HKVOAUGYWLVKOK-TVQRCGJNSA-N 2 1 235.331 1.306 20 0 BDADMP Nc1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000902503879 584621245 /nfs/dbraw/zinc/62/12/45/584621245.db2.gz YJZAMUNTITXRSS-WCBMZHEXSA-N 2 1 240.376 1.332 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCCC[NH2+]2)CC[N@H+]1C ZINC000902481206 584623494 /nfs/dbraw/zinc/62/34/94/584623494.db2.gz BGTCMQOQECQYLX-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCCN1 ZINC000902484969 584624598 /nfs/dbraw/zinc/62/45/98/584624598.db2.gz XPWXGMULNIQTIL-QWHCGFSZSA-N 2 1 227.396 1.626 20 0 BDADMP C[C@@H](CCCC[NH3+])NC[C@H]1CCCCC[NH2+]1 ZINC000902484969 584624599 /nfs/dbraw/zinc/62/45/99/584624599.db2.gz XPWXGMULNIQTIL-QWHCGFSZSA-N 2 1 227.396 1.626 20 0 BDADMP C1CC1[C@@H]1COC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000902517155 584630108 /nfs/dbraw/zinc/63/01/08/584630108.db2.gz HPWGTSQNANDAEA-XQQFMLRXSA-N 2 1 236.359 1.286 20 0 BDADMP CN1CC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316720 584750032 /nfs/dbraw/zinc/75/00/32/584750032.db2.gz QNMNUVMJQCSPDP-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@](C[NH3+])([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC1 ZINC000903427091 584761245 /nfs/dbraw/zinc/76/12/45/584761245.db2.gz SCCVGFJHGXSUQN-IELRGYKMSA-N 2 1 244.329 1.995 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC000903431694 584762237 /nfs/dbraw/zinc/76/22/37/584762237.db2.gz VNOXCAOXFUEOJB-YNEHKIRRSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421709 584763575 /nfs/dbraw/zinc/76/35/75/584763575.db2.gz RXNWGNSCCPXBBY-QNWHQSFQSA-N 2 1 225.380 1.316 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421709 584763576 /nfs/dbraw/zinc/76/35/76/584763576.db2.gz RXNWGNSCCPXBBY-QNWHQSFQSA-N 2 1 225.380 1.316 20 0 BDADMP CCC[C@](C)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(=O)OC ZINC000903458652 584765133 /nfs/dbraw/zinc/76/51/33/584765133.db2.gz GJTVKLHFCOOBRN-MDZLAQPJSA-N 2 1 242.363 1.435 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C(C)C ZINC000903459272 584766163 /nfs/dbraw/zinc/76/61/63/584766163.db2.gz FTXNQURCJJPIJF-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+](Cc1cnn(C)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442285 584767178 /nfs/dbraw/zinc/76/71/78/584767178.db2.gz NXJZDXSZMVVLJJ-YPMHNXCESA-N 2 1 236.363 1.369 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445363 584769317 /nfs/dbraw/zinc/76/93/17/584769317.db2.gz JASVSIBHLFAREE-RDBSUJKOSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445363 584769318 /nfs/dbraw/zinc/76/93/18/584769318.db2.gz JASVSIBHLFAREE-RDBSUJKOSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445363 584769320 /nfs/dbraw/zinc/76/93/20/584769320.db2.gz JASVSIBHLFAREE-RDBSUJKOSA-N 3 1 239.407 1.387 20 0 BDADMP COC[C@H](C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000903464592 584771869 /nfs/dbraw/zinc/77/18/69/584771869.db2.gz SRAPFVQBMYUROL-MJBXVCDLSA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000903450461 584771943 /nfs/dbraw/zinc/77/19/43/584771943.db2.gz WIKXCGXXXUFBCJ-VOAKCMCISA-N 3 1 225.380 1.173 20 0 BDADMP COC[C@H](C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000903464591 584772113 /nfs/dbraw/zinc/77/21/13/584772113.db2.gz SRAPFVQBMYUROL-MELADBBJSA-N 2 1 240.391 1.718 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3CSC[C@@H]3C2)C1 ZINC000903475765 584776592 /nfs/dbraw/zinc/77/65/92/584776592.db2.gz CIGKQYODIXJFSE-ZDEQEGDKSA-N 2 1 240.416 1.799 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903476473 584777199 /nfs/dbraw/zinc/77/71/99/584777199.db2.gz XVXBCHYKXDKOPO-GRYCIOLGSA-N 2 1 226.364 1.207 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCOC2CC2)C1 ZINC000903476381 584777554 /nfs/dbraw/zinc/77/75/54/584777554.db2.gz VOSHIZNAXTWBJI-CQSZACIVSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)O1 ZINC000903481575 584778198 /nfs/dbraw/zinc/77/81/98/584778198.db2.gz GVOZRDUGCRJCDQ-AGIUHOORSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903482184 584778712 /nfs/dbraw/zinc/77/87/12/584778712.db2.gz YWZCJLYQKJDMLM-ZOBORPQBSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)C[C@H]1CC[NH3+] ZINC000903498857 584780248 /nfs/dbraw/zinc/78/02/48/584780248.db2.gz LRQMDRSDHQOLJI-XQHKEYJVSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[N@@H+](CCOC(F)F)C[C@H]1CC[NH3+] ZINC000903499445 584780262 /nfs/dbraw/zinc/78/02/62/584780262.db2.gz VOMOIQMWDLRBEJ-RKDXNWHRSA-N 2 1 222.279 1.142 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903560059 584782054 /nfs/dbraw/zinc/78/20/54/584782054.db2.gz RWCGGMDKUCXKMK-HBNTYKKESA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903560059 584782055 /nfs/dbraw/zinc/78/20/55/584782055.db2.gz RWCGGMDKUCXKMK-HBNTYKKESA-N 2 1 212.337 1.081 20 0 BDADMP CC1(C)C[N@@H+](CCCCCC[NH3+])C[C@@H]1N ZINC000903556626 584783260 /nfs/dbraw/zinc/78/32/60/584783260.db2.gz BXVXDJSQCOSIFA-NSHDSACASA-N 3 1 213.369 1.175 20 0 BDADMP CC1(C)CN(CCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000903556626 584783262 /nfs/dbraw/zinc/78/32/62/584783262.db2.gz BXVXDJSQCOSIFA-NSHDSACASA-N 3 1 213.369 1.175 20 0 BDADMP CC1(C)C[N@H+](CCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000903556626 584783264 /nfs/dbraw/zinc/78/32/64/584783264.db2.gz BXVXDJSQCOSIFA-NSHDSACASA-N 3 1 213.369 1.175 20 0 BDADMP CC1(C)C[N@@H+](CCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000903556626 584783266 /nfs/dbraw/zinc/78/32/66/584783266.db2.gz BXVXDJSQCOSIFA-NSHDSACASA-N 3 1 213.369 1.175 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903717549 584792598 /nfs/dbraw/zinc/79/25/98/584792598.db2.gz ROUROUUMKJIFMA-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727156 584792889 /nfs/dbraw/zinc/79/28/89/584792889.db2.gz RFSTZJPPBFGKEH-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903729365 584792908 /nfs/dbraw/zinc/79/29/08/584792908.db2.gz LPOMRMWADOSQSX-CYBMUJFWSA-N 2 1 242.407 1.717 20 0 BDADMP CC[N@@H+](CC1CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729913 584792992 /nfs/dbraw/zinc/79/29/92/584792992.db2.gz SNEOCYLGMWXTJK-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@@H+](CCCO)C[C@H]1CCCC[NH2+]C1 ZINC000903732235 584793215 /nfs/dbraw/zinc/79/32/15/584793215.db2.gz DLRSMXYJFOZPCT-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP CC1CC(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903744383 584796548 /nfs/dbraw/zinc/79/65/48/584796548.db2.gz RMSZICUPDYYZBQ-BPCQOVAHSA-N 2 1 208.349 1.718 20 0 BDADMP OCC[C@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903768683 584798128 /nfs/dbraw/zinc/79/81/28/584798128.db2.gz PABONHHAMZYOOX-UONOGXRCSA-N 2 1 240.391 1.613 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778026 584799619 /nfs/dbraw/zinc/79/96/19/584799619.db2.gz IUGZKINHEJKNOG-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP COCC1([N@@H+](C)C[C@H]2CCCC[NH2+]C2)CCC1 ZINC000903782007 584800391 /nfs/dbraw/zinc/80/03/91/584800391.db2.gz DBPWCBPQQONSQV-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)OCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903796292 584800702 /nfs/dbraw/zinc/80/07/02/584800702.db2.gz UVXWPSVPKQXBHI-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903796292 584800704 /nfs/dbraw/zinc/80/07/04/584800704.db2.gz UVXWPSVPKQXBHI-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812623 584803200 /nfs/dbraw/zinc/80/32/00/584803200.db2.gz UUXIPDKBMFQJLJ-STQMWFEESA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CSCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000903831569 584805920 /nfs/dbraw/zinc/80/59/20/584805920.db2.gz JWSMFYZGKNGGCQ-LLVKDONJSA-N 2 1 228.405 1.956 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903832992 584805964 /nfs/dbraw/zinc/80/59/64/584805964.db2.gz VAQWXEMMEFFOTO-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903831664 584806033 /nfs/dbraw/zinc/80/60/33/584806033.db2.gz MCMAOULHDKYATA-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903831422 584806056 /nfs/dbraw/zinc/80/60/56/584806056.db2.gz JRHVCYHQHTXDSZ-XQQFMLRXSA-N 2 1 236.359 1.097 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903838777 584806476 /nfs/dbraw/zinc/80/64/76/584806476.db2.gz FAXJJCGWFBCCPM-RFGFWPKPSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903838777 584806478 /nfs/dbraw/zinc/80/64/78/584806478.db2.gz FAXJJCGWFBCCPM-RFGFWPKPSA-N 2 1 237.391 1.188 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903855501 584808729 /nfs/dbraw/zinc/80/87/29/584808729.db2.gz OOWMRUMRGMEZTH-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903855501 584808731 /nfs/dbraw/zinc/80/87/31/584808731.db2.gz OOWMRUMRGMEZTH-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855501 584808732 /nfs/dbraw/zinc/80/87/32/584808732.db2.gz OOWMRUMRGMEZTH-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855501 584808733 /nfs/dbraw/zinc/80/87/33/584808733.db2.gz OOWMRUMRGMEZTH-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903855412 584809024 /nfs/dbraw/zinc/80/90/24/584809024.db2.gz MTLRVTHZVUXTGA-KGLIPLIRSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855412 584809026 /nfs/dbraw/zinc/80/90/26/584809026.db2.gz MTLRVTHZVUXTGA-KGLIPLIRSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855412 584809027 /nfs/dbraw/zinc/80/90/27/584809027.db2.gz MTLRVTHZVUXTGA-KGLIPLIRSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1C[C@]12CCOC2 ZINC000903859217 584810676 /nfs/dbraw/zinc/81/06/76/584810676.db2.gz LOUHLWAWIXDPBH-YIYPIFLZSA-N 2 1 236.359 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1C[C@]12CCOC2 ZINC000903859217 584810677 /nfs/dbraw/zinc/81/06/77/584810677.db2.gz LOUHLWAWIXDPBH-YIYPIFLZSA-N 2 1 236.359 1.226 20 0 BDADMP CCO[C@H](C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903860030 584812681 /nfs/dbraw/zinc/81/26/81/584812681.db2.gz QASRLUXJVGFWRI-MGPQQGTHSA-N 2 1 238.375 1.615 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903860030 584812683 /nfs/dbraw/zinc/81/26/83/584812683.db2.gz QASRLUXJVGFWRI-MGPQQGTHSA-N 2 1 238.375 1.615 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])C(C)C ZINC000903863645 584813023 /nfs/dbraw/zinc/81/30/23/584813023.db2.gz NZLZAYBDRCBPDP-IHRRRGAJSA-N 2 1 240.391 1.718 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])C(C)C ZINC000903863645 584813024 /nfs/dbraw/zinc/81/30/24/584813024.db2.gz NZLZAYBDRCBPDP-IHRRRGAJSA-N 2 1 240.391 1.718 20 0 BDADMP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)[C@H]1CCCO1 ZINC000903870974 584814364 /nfs/dbraw/zinc/81/43/64/584814364.db2.gz QJGUDQINDQXXSB-CHWSQXEVSA-N 2 1 224.348 1.383 20 0 BDADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)[C@H]1CCCO1 ZINC000903870974 584814365 /nfs/dbraw/zinc/81/43/65/584814365.db2.gz QJGUDQINDQXXSB-CHWSQXEVSA-N 2 1 224.348 1.383 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869635 584814378 /nfs/dbraw/zinc/81/43/78/584814378.db2.gz JCNCLTASDPIAGA-MJBXVCDLSA-N 2 1 236.359 1.241 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000903871122 584815283 /nfs/dbraw/zinc/81/52/83/584815283.db2.gz NODNSMDHOUITSD-YPMHNXCESA-N 2 1 240.416 1.813 20 0 BDADMP CC(C)[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903873206 584815729 /nfs/dbraw/zinc/81/57/29/584815729.db2.gz MQRKHTISXVZOMM-NSHDSACASA-N 2 1 237.351 1.043 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873524 584815939 /nfs/dbraw/zinc/81/59/39/584815939.db2.gz JBWFXBXASMWHBN-WTUNAVPPSA-N 3 1 237.391 1.201 20 0 BDADMP C[NH2+]C[C@H]1CCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873524 584815940 /nfs/dbraw/zinc/81/59/40/584815940.db2.gz JBWFXBXASMWHBN-WTUNAVPPSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873902 584816025 /nfs/dbraw/zinc/81/60/25/584816025.db2.gz NURKZVFAPRPYIA-RLAWYHOSSA-N 3 1 237.391 1.188 20 0 BDADMP CC[C@@H]1C(=O)NCCC[N@@H+]1CCCCCC[NH3+] ZINC000903883154 584818326 /nfs/dbraw/zinc/81/83/26/584818326.db2.gz UBSLORPFGVOADZ-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913644 584822752 /nfs/dbraw/zinc/82/27/52/584822752.db2.gz QNMURLLAADYNHU-SMDDNHRTSA-N 2 1 246.354 1.287 20 0 BDADMP [NH3+][C@H](C[NH2+]CCc1ccccc1F)CC(F)F ZINC000903919474 584823279 /nfs/dbraw/zinc/82/32/79/584823279.db2.gz CRWCPCLBXRPRAT-JTQLQIEISA-N 2 1 246.276 1.940 20 0 BDADMP N[C@@H](C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CC(F)F ZINC000903919631 584823293 /nfs/dbraw/zinc/82/32/93/584823293.db2.gz OZNMBEGMKWHCKM-GMTAPVOTSA-N 2 1 249.349 1.324 20 0 BDADMP OCC[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929393 584824591 /nfs/dbraw/zinc/82/45/91/584824591.db2.gz DHIDQOFUZPUWFU-WTUNAVPPSA-N 2 1 238.375 1.364 20 0 BDADMP C(N[C@@H]1CC[NH2+]C12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935114 584825929 /nfs/dbraw/zinc/82/59/29/584825929.db2.gz NGNKMPSYTBNNOF-WTUNAVPPSA-N 2 1 249.402 1.391 20 0 BDADMP CC(C)[C@@H](N)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916518 584827326 /nfs/dbraw/zinc/82/73/26/584827326.db2.gz HFKSWPGUANWRFN-WVMKXHBISA-N 2 1 225.380 1.090 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000903947634 584829816 /nfs/dbraw/zinc/82/98/16/584829816.db2.gz CYGQDKSERKFCNV-OLZOCXBDSA-N 3 1 239.407 1.720 20 0 BDADMP [NH3+]C1CCC([NH2+]C[C@@H]2CNCCC2(F)F)CC1 ZINC000903956440 584832314 /nfs/dbraw/zinc/83/23/14/584832314.db2.gz LUBOHKVGHQKRAZ-WHXUTIOJSA-N 2 1 247.333 1.091 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978867 584833083 /nfs/dbraw/zinc/83/30/83/584833083.db2.gz NKZMEKHASREALC-UPJWGTAASA-N 2 1 227.396 1.195 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)[C@@H]1CN ZINC000904299405 584860574 /nfs/dbraw/zinc/86/05/74/584860574.db2.gz CIIPMJBOAPRUQD-SWLSCSKDSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@@H]1CN ZINC000904299405 584860575 /nfs/dbraw/zinc/86/05/75/584860575.db2.gz CIIPMJBOAPRUQD-SWLSCSKDSA-N 2 1 247.386 1.705 20 0 BDADMP CCC[N@H+](Cc1ccc(N)nn1)C1CC[NH2+]CC1 ZINC000904299651 584860827 /nfs/dbraw/zinc/86/08/27/584860827.db2.gz KSMBDFKNYVDVIS-UHFFFAOYSA-N 2 1 249.362 1.023 20 0 BDADMP CCC[N@@H+](Cc1ccc(N)nn1)C1CC[NH2+]CC1 ZINC000904299651 584860828 /nfs/dbraw/zinc/86/08/28/584860828.db2.gz KSMBDFKNYVDVIS-UHFFFAOYSA-N 2 1 249.362 1.023 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000904309891 584862814 /nfs/dbraw/zinc/86/28/14/584862814.db2.gz SCGOBIJADBFOIL-SCRDCRAPSA-N 2 1 231.343 1.956 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000904313226 584863536 /nfs/dbraw/zinc/86/35/36/584863536.db2.gz XDZZWXKJXQLOGY-UTUOFQBUSA-N 2 1 234.347 1.326 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320057 584863969 /nfs/dbraw/zinc/86/39/69/584863969.db2.gz CECLCHGSBINYPL-XQQFMLRXSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+](CCCO)C1CC1 ZINC000904320564 584863988 /nfs/dbraw/zinc/86/39/88/584863988.db2.gz LGHZZIGNASPZBC-LBPRGKRZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+](CCCO)C1CC1 ZINC000904320564 584863989 /nfs/dbraw/zinc/86/39/89/584863989.db2.gz LGHZZIGNASPZBC-LBPRGKRZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320056 584864070 /nfs/dbraw/zinc/86/40/70/584864070.db2.gz CECLCHGSBINYPL-FRRDWIJNSA-N 2 1 226.364 1.471 20 0 BDADMP CCCC[N@@H+](CCOC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320745 584864218 /nfs/dbraw/zinc/86/42/18/584864218.db2.gz NXQGDCGBAHORLF-TXEJJXNPSA-N 2 1 214.353 1.472 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3cc(F)ccc3C2)C1 ZINC000904328929 584865972 /nfs/dbraw/zinc/86/59/72/584865972.db2.gz JBIDOASMDYLVBC-WJONMLJTSA-N 2 1 234.318 1.921 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccc(O)cc3C2)C1 ZINC000904336443 584866366 /nfs/dbraw/zinc/86/63/66/584866366.db2.gz QFQRSHCSQARDCK-GSJFWJNXSA-N 2 1 232.327 1.488 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)[C@@H]1CO ZINC000904341776 584867206 /nfs/dbraw/zinc/86/72/06/584867206.db2.gz VUXOFVRSZGRCBV-JHJVBQTASA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)[C@@H]1CO ZINC000904341776 584867207 /nfs/dbraw/zinc/86/72/07/584867207.db2.gz VUXOFVRSZGRCBV-JHJVBQTASA-N 2 1 242.407 1.843 20 0 BDADMP COCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[C@H](C)C1 ZINC000904346201 584868273 /nfs/dbraw/zinc/86/82/73/584868273.db2.gz QSCCUDUDNOFRKK-IGQOVBAYSA-N 2 1 240.391 1.861 20 0 BDADMP CC1(C)C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346513 584868545 /nfs/dbraw/zinc/86/85/45/584868545.db2.gz SHPQFLCEELKBDV-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346568 584868648 /nfs/dbraw/zinc/86/86/48/584868648.db2.gz UFGAJKAFTLMTJX-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000904350505 584868998 /nfs/dbraw/zinc/86/89/98/584868998.db2.gz NKSUELOLIBTYFN-XDQVBPFNSA-N 3 1 237.391 1.045 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000904350715 584869346 /nfs/dbraw/zinc/86/93/46/584869346.db2.gz PVERPDXNSCTAHL-GJZGRUSLSA-N 3 1 245.370 1.329 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000904350715 584869347 /nfs/dbraw/zinc/86/93/47/584869347.db2.gz PVERPDXNSCTAHL-GJZGRUSLSA-N 3 1 245.370 1.329 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)C1 ZINC000904388580 584874961 /nfs/dbraw/zinc/87/49/61/584874961.db2.gz LANGLWSVEHXLKJ-OJLVUWQFSA-N 2 1 242.366 1.997 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000904389158 584875028 /nfs/dbraw/zinc/87/50/28/584875028.db2.gz SHVLALXITMNNSA-MGPQQGTHSA-N 3 1 239.407 1.293 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCn3nc(C4CC4)cc3C2)C1 ZINC000904389739 584875279 /nfs/dbraw/zinc/87/52/79/584875279.db2.gz SKJGEDDHIHQMAL-KLPPZKSPSA-N 2 1 246.358 1.313 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000904406710 584878703 /nfs/dbraw/zinc/87/87/03/584878703.db2.gz UVQAVZKYCACSIF-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@H]1C[NH3+] ZINC000904410926 584878844 /nfs/dbraw/zinc/87/88/44/584878844.db2.gz RSKDDXOKMPUQJV-UTUOFQBUSA-N 2 1 228.405 1.656 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000904409608 584879249 /nfs/dbraw/zinc/87/92/49/584879249.db2.gz DJGXAINXTXHOJE-NSHDSACASA-N 2 1 248.326 1.586 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410605 584879341 /nfs/dbraw/zinc/87/93/41/584879341.db2.gz PPAIRWRQTKHFHN-RDBSUJKOSA-N 3 1 239.407 1.293 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412341 584879582 /nfs/dbraw/zinc/87/95/82/584879582.db2.gz SXMCVYKXBHSPFP-RYUDHWBXSA-N 2 1 236.363 1.320 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000738312910 585042716 /nfs/dbraw/zinc/04/27/16/585042716.db2.gz ZCDQJVQTCVGFLC-CYBMUJFWSA-N 2 1 226.364 1.297 20 0 BDADMP O[C@@H](C[N@H+]1CC[C@@H](Oc2ccncc2)C1)C1CC1 ZINC000838977963 585083901 /nfs/dbraw/zinc/08/39/01/585083901.db2.gz YJFREKBGHWESCH-KGLIPLIRSA-N 2 1 248.326 1.306 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827003 585180628 /nfs/dbraw/zinc/18/06/28/585180628.db2.gz BLFDMQATCXPKAD-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827003 585180629 /nfs/dbraw/zinc/18/06/29/585180629.db2.gz BLFDMQATCXPKAD-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000749146166 585199872 /nfs/dbraw/zinc/19/98/72/585199872.db2.gz CVPMSDDUGXHPQQ-NSHDSACASA-N 2 1 249.362 1.145 20 0 BDADMP CC(C)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000749334125 585201245 /nfs/dbraw/zinc/20/12/45/585201245.db2.gz BSWUASVDDULIIS-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000749334125 585201246 /nfs/dbraw/zinc/20/12/46/585201246.db2.gz BSWUASVDDULIIS-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP FCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749514801 585203535 /nfs/dbraw/zinc/20/35/35/585203535.db2.gz MDBIFSZQNAUKEK-AAEUAGOBSA-N 2 1 226.339 1.905 20 0 BDADMP FCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749514801 585203536 /nfs/dbraw/zinc/20/35/36/585203536.db2.gz MDBIFSZQNAUKEK-AAEUAGOBSA-N 2 1 226.339 1.905 20 0 BDADMP FCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749514801 585203537 /nfs/dbraw/zinc/20/35/37/585203537.db2.gz MDBIFSZQNAUKEK-AAEUAGOBSA-N 2 1 226.339 1.905 20 0 BDADMP FCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749514801 585203538 /nfs/dbraw/zinc/20/35/38/585203538.db2.gz MDBIFSZQNAUKEK-AAEUAGOBSA-N 2 1 226.339 1.905 20 0 BDADMP CCc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)n[nH]1 ZINC000754792407 585290972 /nfs/dbraw/zinc/29/09/72/585290972.db2.gz BIQFDCHDRGOIGF-JSGCOSHPSA-N 2 1 248.374 1.689 20 0 BDADMP NC(CC1CC1)=[NH+]OCC[NH+]1CCCCC1 ZINC000766711609 585506272 /nfs/dbraw/zinc/50/62/72/585506272.db2.gz KWOVTWVHXBOBOD-UHFFFAOYSA-N 2 1 225.336 1.771 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCF)CC[C@H]21 ZINC000766988924 585512708 /nfs/dbraw/zinc/51/27/08/585512708.db2.gz FRXNWNZSUIEPMG-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCF)CC[C@H]21 ZINC000766988924 585512709 /nfs/dbraw/zinc/51/27/09/585512709.db2.gz FRXNWNZSUIEPMG-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCF)CC[C@H]21 ZINC000766988924 585512710 /nfs/dbraw/zinc/51/27/10/585512710.db2.gz FRXNWNZSUIEPMG-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCF)CC[C@H]21 ZINC000766988924 585512711 /nfs/dbraw/zinc/51/27/11/585512711.db2.gz FRXNWNZSUIEPMG-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[C@H]1CC[N@@H+](CCF)C[C@H]1n1ccnc1 ZINC000767434958 585520061 /nfs/dbraw/zinc/52/00/61/585520061.db2.gz ROPUCCBCFRCIOC-WDEREUQCSA-N 2 1 211.284 1.736 20 0 BDADMP C[C@H]1CCN(CCF)C[C@H]1n1ccnc1 ZINC000767434958 585520062 /nfs/dbraw/zinc/52/00/62/585520062.db2.gz ROPUCCBCFRCIOC-WDEREUQCSA-N 2 1 211.284 1.736 20 0 BDADMP C[C@H]1C[C@@H](NCc2ccc(F)nc2)CC[N@H+]1C ZINC000778172378 585726588 /nfs/dbraw/zinc/72/65/88/585726588.db2.gz IOWKMGIRSLYLOZ-JQWIXIFHSA-N 2 1 237.322 1.793 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)CCN1C ZINC000778172378 585726589 /nfs/dbraw/zinc/72/65/89/585726589.db2.gz IOWKMGIRSLYLOZ-JQWIXIFHSA-N 2 1 237.322 1.793 20 0 BDADMP C[C@H](CCO)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000779344229 585752232 /nfs/dbraw/zinc/75/22/32/585752232.db2.gz GRERAPKQHVGJSZ-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@H](CCO)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000779344229 585752233 /nfs/dbraw/zinc/75/22/33/585752233.db2.gz GRERAPKQHVGJSZ-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000788471069 585925221 /nfs/dbraw/zinc/92/52/21/585925221.db2.gz SSKLKAVAPQUZJZ-NWDGAFQWSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H](C[S@@](C)=O)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000788490084 585925513 /nfs/dbraw/zinc/92/55/13/585925513.db2.gz XEKKSZILXCXXST-MEDUHNTESA-N 2 1 246.420 1.027 20 0 BDADMP CCOCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000795084576 586068191 /nfs/dbraw/zinc/06/81/91/586068191.db2.gz DYEYOHYVJLUDTK-CYBMUJFWSA-N 2 1 249.358 1.629 20 0 BDADMP CC[N@H+]1CCN(CC[NH+]2CCCC2)[C@@H](C)C1 ZINC000796315636 586100444 /nfs/dbraw/zinc/10/04/44/586100444.db2.gz JFPUIZOMZSVTHD-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CO[C@H](C)C[NH+](C)CCC[N@H+](C)C[C@H](C)OC ZINC000796642620 586109186 /nfs/dbraw/zinc/10/91/86/586109186.db2.gz RCBMSOBZOMMSOM-BETUJISGSA-N 2 1 246.395 1.310 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CCC[NH+](C)C[C@H](C)OC ZINC000796642620 586109187 /nfs/dbraw/zinc/10/91/87/586109187.db2.gz RCBMSOBZOMMSOM-BETUJISGSA-N 2 1 246.395 1.310 20 0 BDADMP CO[C@H](C)C[N@H+](C)CCC[NH+](C)C[C@H](C)OC ZINC000796642620 586109188 /nfs/dbraw/zinc/10/91/88/586109188.db2.gz RCBMSOBZOMMSOM-BETUJISGSA-N 2 1 246.395 1.310 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCC=CO1 ZINC000809766379 586518418 /nfs/dbraw/zinc/51/84/18/586518418.db2.gz XHWAHMLBQUSTEE-HZSPNIEDSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCC=CO1 ZINC000809766379 586518419 /nfs/dbraw/zinc/51/84/19/586518419.db2.gz XHWAHMLBQUSTEE-HZSPNIEDSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@H]1CCC=CO1 ZINC000809766379 586518421 /nfs/dbraw/zinc/51/84/21/586518421.db2.gz XHWAHMLBQUSTEE-HZSPNIEDSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000809766379 586518422 /nfs/dbraw/zinc/51/84/22/586518422.db2.gz XHWAHMLBQUSTEE-HZSPNIEDSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325729 586600035 /nfs/dbraw/zinc/60/00/35/586600035.db2.gz JSQOUWZVMVPRBV-NEPJUHHUSA-N 2 1 249.358 1.780 20 0 BDADMP C[C@@H](CNc1nc(N(C)C)cc[nH+]1)C[NH+](C)C ZINC000813614849 586604491 /nfs/dbraw/zinc/60/44/91/586604491.db2.gz MELFUJCCLIGVMQ-JTQLQIEISA-N 2 1 237.351 1.152 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCO)C2)C1 ZINC000815145519 586670598 /nfs/dbraw/zinc/67/05/98/586670598.db2.gz XIQVWSLYIBYTNS-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCO)C2)C1 ZINC000815145519 586670599 /nfs/dbraw/zinc/67/05/99/586670599.db2.gz XIQVWSLYIBYTNS-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCO)C2)C1 ZINC000815145519 586670600 /nfs/dbraw/zinc/67/06/00/586670600.db2.gz XIQVWSLYIBYTNS-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000817903868 586831410 /nfs/dbraw/zinc/83/14/10/586831410.db2.gz MUPZFLIJOSUCBO-AVGNSLFASA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913086 586837999 /nfs/dbraw/zinc/83/79/99/586837999.db2.gz NXHVYTYOFTZGRJ-QCXCNERSSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1c[nH+]ccc1N ZINC000817913306 586839068 /nfs/dbraw/zinc/83/90/68/586839068.db2.gz NLNWRHMZOAMETA-RYUDHWBXSA-N 2 1 248.374 1.629 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1c[nH+]ccc1N ZINC000817923938 586841279 /nfs/dbraw/zinc/84/12/79/586841279.db2.gz ITCJKMOPAMRZDE-MNOVXSKESA-N 2 1 233.315 1.837 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1CCCC[NH2+]1 ZINC000817923800 586841767 /nfs/dbraw/zinc/84/17/67/586841767.db2.gz IPLMRXXAGOMZHX-AGIUHOORSA-N 2 1 224.348 1.799 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)n(C)n1 ZINC000817953591 586849133 /nfs/dbraw/zinc/84/91/33/586849133.db2.gz ORTBOGDJUWWNNV-GFCCVEGCSA-N 2 1 238.379 1.767 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818984902 586919575 /nfs/dbraw/zinc/91/95/75/586919575.db2.gz MUABTTZSSVDASO-JSGCOSHPSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H](CO)CC2)n1C ZINC000826015777 587348321 /nfs/dbraw/zinc/34/83/21/587348321.db2.gz BXFJXHIVFAALJA-GFCCVEGCSA-N 2 1 237.347 1.323 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000834821894 587767697 /nfs/dbraw/zinc/76/76/97/587767697.db2.gz UQFGRHXDDYPCMF-NWDGAFQWSA-N 2 1 243.395 1.350 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000834821895 587767792 /nfs/dbraw/zinc/76/77/92/587767792.db2.gz UQFGRHXDDYPCMF-RYUDHWBXSA-N 2 1 243.395 1.350 20 0 BDADMP CC[N@@H+](CCC[NH3+])C[C@H](O)c1ccc(C)cc1 ZINC000841010675 587935091 /nfs/dbraw/zinc/93/50/91/587935091.db2.gz ZGRDYGRSPYKVFP-AWEZNQCLSA-N 2 1 236.359 1.699 20 0 BDADMP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000841051314 587939951 /nfs/dbraw/zinc/93/99/51/587939951.db2.gz NLNYDTNFYZUGIL-ZETCQYMHSA-N 2 1 230.743 1.209 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000841061581 587941600 /nfs/dbraw/zinc/94/16/00/587941600.db2.gz KQGKMXDIRCOFBS-KOLCDFICSA-N 2 1 239.750 1.965 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCCCCO ZINC000842476343 588028316 /nfs/dbraw/zinc/02/83/16/588028316.db2.gz MCCVOGAXSVVVNA-JHJVBQTASA-N 2 1 228.380 1.515 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCCCCO ZINC000842476342 588028348 /nfs/dbraw/zinc/02/83/48/588028348.db2.gz MCCVOGAXSVVVNA-FRRDWIJNSA-N 2 1 228.380 1.515 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000842478543 588029903 /nfs/dbraw/zinc/02/99/03/588029903.db2.gz KQBOTJMBYJYMGJ-KBPBESRZSA-N 3 1 241.423 1.812 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000843067703 588078338 /nfs/dbraw/zinc/07/83/38/588078338.db2.gz HJBDDHZNABKVSR-LLVKDONJSA-N 2 1 242.363 1.199 20 0 BDADMP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000843129230 588082572 /nfs/dbraw/zinc/08/25/72/588082572.db2.gz ODOVNQMOPQKLCE-SFYZADRCSA-N 2 1 244.770 1.597 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCCCCC[NH3+] ZINC000843351104 588102606 /nfs/dbraw/zinc/10/26/06/588102606.db2.gz GSXZFOQYEDSIKE-UHFFFAOYSA-N 3 1 201.358 1.176 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000843355345 588102901 /nfs/dbraw/zinc/10/29/01/588102901.db2.gz SVMCQZFPCNNPKG-UHFFFAOYSA-N 2 1 244.379 1.637 20 0 BDADMP CCN(C)C(=O)CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355263 588102943 /nfs/dbraw/zinc/10/29/43/588102943.db2.gz OLHMNEQEZVSNDT-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP CCOC(=O)CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354562 588103148 /nfs/dbraw/zinc/10/31/48/588103148.db2.gz CPMNPZWJDBCDEO-UHFFFAOYSA-N 2 1 228.336 1.141 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843354289 588103302 /nfs/dbraw/zinc/10/33/02/588103302.db2.gz XNYIWZODGKSEAZ-STQMWFEESA-N 3 1 227.396 1.565 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843353971 588103379 /nfs/dbraw/zinc/10/33/79/588103379.db2.gz SXMAKQMLIWACCH-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1CCCCCCC[NH3+] ZINC000843365454 588104263 /nfs/dbraw/zinc/10/42/63/588104263.db2.gz JSGNUFIZJMAXJA-AWEZNQCLSA-N 2 1 241.423 1.970 20 0 BDADMP CCC[C@H]1C[NH2+]CCN1CCCCCCC[NH3+] ZINC000843365454 588104264 /nfs/dbraw/zinc/10/42/64/588104264.db2.gz JSGNUFIZJMAXJA-AWEZNQCLSA-N 2 1 241.423 1.970 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843365392 588104346 /nfs/dbraw/zinc/10/43/46/588104346.db2.gz GSCUMRDPJQXNLH-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843383455 588105896 /nfs/dbraw/zinc/10/58/96/588105896.db2.gz WLSJCQIHNTYXIE-ZDUSSCGKSA-N 2 1 227.396 1.566 20 0 BDADMP c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CN2 ZINC000844907634 588218971 /nfs/dbraw/zinc/21/89/71/588218971.db2.gz LIECULZKNDOPQH-STQMWFEESA-N 2 1 231.343 1.365 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218203 588260824 /nfs/dbraw/zinc/26/08/24/588260824.db2.gz UIKOLWMQXUZTHQ-GFCCVEGCSA-N 3 1 213.369 1.047 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000846220833 588261243 /nfs/dbraw/zinc/26/12/43/588261243.db2.gz VOSOTKISONQKFU-MELADBBJSA-N 3 1 239.407 1.565 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000846220390 588261356 /nfs/dbraw/zinc/26/13/56/588261356.db2.gz IDMWCCSDAVKJHN-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000846220390 588261357 /nfs/dbraw/zinc/26/13/57/588261357.db2.gz IDMWCCSDAVKJHN-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000846220832 588261498 /nfs/dbraw/zinc/26/14/98/588261498.db2.gz VOSOTKISONQKFU-IHRRRGAJSA-N 3 1 239.407 1.565 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])[C@H]1CC[NH3+] ZINC000846226405 588261759 /nfs/dbraw/zinc/26/17/59/588261759.db2.gz MPPFAZFWFACWSP-KGLIPLIRSA-N 2 1 241.423 1.955 20 0 BDADMP C[C@H]1C[C@H]1C(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000848520005 588387294 /nfs/dbraw/zinc/38/72/94/588387294.db2.gz NXBRLMFAMORCNO-WDEREUQCSA-N 2 1 225.336 1.627 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000848556708 588397155 /nfs/dbraw/zinc/39/71/55/588397155.db2.gz BYNGOMIEPPAGJQ-NTZNESFSSA-N 2 1 248.374 1.717 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3ccnc32)C1 ZINC000848720969 588408695 /nfs/dbraw/zinc/40/86/95/588408695.db2.gz WDUKKCHZEQJIKM-OUAUKWLOSA-N 2 1 220.320 1.187 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000848720184 588408707 /nfs/dbraw/zinc/40/87/07/588408707.db2.gz SUDPSCWKAFRLML-AGIUHOORSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000848720184 588408709 /nfs/dbraw/zinc/40/87/09/588408709.db2.gz SUDPSCWKAFRLML-AGIUHOORSA-N 2 1 225.380 1.330 20 0 BDADMP CCNC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000848989605 588426633 /nfs/dbraw/zinc/42/66/33/588426633.db2.gz ZPMDIOAUAYUBGY-LBPRGKRZSA-N 2 1 240.395 1.632 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848996160 588428975 /nfs/dbraw/zinc/42/89/75/588428975.db2.gz IABCVJHQYJLBLH-NSHDSACASA-N 2 1 238.379 1.383 20 0 BDADMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000848999914 588430283 /nfs/dbraw/zinc/43/02/83/588430283.db2.gz JGBUZVQQSPMEMJ-LLVKDONJSA-N 2 1 249.362 1.448 20 0 BDADMP C[C@@H](CNC(=[NH2+])NC1CCC1)[N@@H+](C)C1CC1 ZINC000849001581 588430815 /nfs/dbraw/zinc/43/08/15/588430815.db2.gz DUNZVSRZWPSQMP-VIFPVBQESA-N 2 1 224.352 1.136 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000849022982 588439285 /nfs/dbraw/zinc/43/92/85/588439285.db2.gz BMJHPHORIAZCBY-GFCCVEGCSA-N 2 1 238.379 1.526 20 0 BDADMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])NC2CC2)C1 ZINC000849023027 588439458 /nfs/dbraw/zinc/43/94/58/588439458.db2.gz GMVIVHJGSKXIIX-UHFFFAOYSA-N 2 1 238.379 1.385 20 0 BDADMP CC(C)CNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039481 588447024 /nfs/dbraw/zinc/44/70/24/588447024.db2.gz AONPNMVDCBKGSW-UHFFFAOYSA-N 2 1 240.395 1.631 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC1=[NH+]CCCCN1 ZINC000849218481 588463050 /nfs/dbraw/zinc/46/30/50/588463050.db2.gz XEXTYWZAQYKHMH-UHFFFAOYSA-N 2 1 240.395 1.293 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOC(F)F)CC1 ZINC000851985696 588651587 /nfs/dbraw/zinc/65/15/87/588651587.db2.gz PPTYNFWILFEQRY-SNVBAGLBSA-N 2 1 236.306 1.642 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOC(F)F)CC1 ZINC000851985696 588651588 /nfs/dbraw/zinc/65/15/88/588651588.db2.gz PPTYNFWILFEQRY-SNVBAGLBSA-N 2 1 236.306 1.642 20 0 BDADMP C[N@@H+](CCOC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852040325 588657093 /nfs/dbraw/zinc/65/70/93/588657093.db2.gz JZHZKNIIQCKAAE-ZACCUICWSA-N 2 1 248.317 1.783 20 0 BDADMP C[NH+](CCOC(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000852040325 588657094 /nfs/dbraw/zinc/65/70/94/588657094.db2.gz JZHZKNIIQCKAAE-ZACCUICWSA-N 2 1 248.317 1.783 20 0 BDADMP C[NH+](CCOC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000852040325 588657095 /nfs/dbraw/zinc/65/70/95/588657095.db2.gz JZHZKNIIQCKAAE-ZACCUICWSA-N 2 1 248.317 1.783 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C1CCC1 ZINC000852743876 588697856 /nfs/dbraw/zinc/69/78/56/588697856.db2.gz MRJRCHCWRVDIOA-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852748442 588699577 /nfs/dbraw/zinc/69/95/77/588699577.db2.gz VVKHQWKKOYFRDJ-VIFPVBQESA-N 2 1 222.279 1.286 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CCOC(F)F)C1CCCCC1 ZINC000852749996 588699998 /nfs/dbraw/zinc/69/99/98/588699998.db2.gz KMXQKOHVRKUIBK-SNVBAGLBSA-N 2 1 236.306 1.723 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC000852774787 588701919 /nfs/dbraw/zinc/70/19/19/588701919.db2.gz ZFWFTWXKBNSFQE-OLZOCXBDSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC000852774789 588702018 /nfs/dbraw/zinc/70/20/18/588702018.db2.gz ZFWFTWXKBNSFQE-STQMWFEESA-N 2 1 240.391 1.421 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000863641532 589306349 /nfs/dbraw/zinc/30/63/49/589306349.db2.gz GOEDUJNFXOFZTI-NSHDSACASA-N 2 1 207.321 1.196 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864451294 589364710 /nfs/dbraw/zinc/36/47/10/589364710.db2.gz AYIKYSNDODPJNG-MWLCHTKSSA-N 2 1 235.335 1.104 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864458616 589368352 /nfs/dbraw/zinc/36/83/52/589368352.db2.gz OYADDJQYEUKRKY-UTUOFQBUSA-N 2 1 238.379 1.383 20 0 BDADMP [NH2+]=C(NCCC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000864463908 589370134 /nfs/dbraw/zinc/37/01/34/589370134.db2.gz MTJHWQORKGVEJN-NSHDSACASA-N 2 1 247.346 1.112 20 0 BDADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865996931 589472063 /nfs/dbraw/zinc/47/20/63/589472063.db2.gz QSZVXWOWXCGGSA-LBPRGKRZSA-N 2 1 249.358 1.069 20 0 BDADMP C[C@H]1C[C@H](N)C[N@H+]1CCCCCCC[NH3+] ZINC000866681987 589507683 /nfs/dbraw/zinc/50/76/83/589507683.db2.gz DPCFOBIZOTYPAW-RYUDHWBXSA-N 2 1 213.369 1.317 20 0 BDADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1cccc(N)c1 ZINC000866699417 589513006 /nfs/dbraw/zinc/51/30/06/589513006.db2.gz NZABVOPWKWPOOC-UHFFFAOYSA-N 2 1 233.359 1.843 20 0 BDADMP C(C[N@H+]1CC[C@H]2CSC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000866702848 589513719 /nfs/dbraw/zinc/51/37/19/589513719.db2.gz CCBWDFKHMXSPCN-FRRDWIJNSA-N 2 1 240.416 1.671 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1C ZINC000866702883 589513786 /nfs/dbraw/zinc/51/37/86/589513786.db2.gz HUEOTPLHVPDAPD-CQSZACIVSA-N 2 1 241.423 1.778 20 0 BDADMP CC(C)[C@H]1CN(CCCCCC[NH3+])CC[N@@H+]1C ZINC000866702883 589513787 /nfs/dbraw/zinc/51/37/87/589513787.db2.gz HUEOTPLHVPDAPD-CQSZACIVSA-N 2 1 241.423 1.778 20 0 BDADMP CC(C)[C@H]1CN(CCCCCC[NH3+])CC[N@H+]1C ZINC000866702883 589513789 /nfs/dbraw/zinc/51/37/89/589513789.db2.gz HUEOTPLHVPDAPD-CQSZACIVSA-N 2 1 241.423 1.778 20 0 BDADMP C1=CCC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000866724978 589516433 /nfs/dbraw/zinc/51/64/33/589516433.db2.gz QBEBSGWYHNFVGA-OLZOCXBDSA-N 2 1 206.333 1.779 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc(N)c1)C2 ZINC000872153557 589885354 /nfs/dbraw/zinc/88/53/54/589885354.db2.gz DLCKIJNGTYSZOJ-GXTWGEPZSA-N 2 1 231.343 1.310 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000872156405 589885472 /nfs/dbraw/zinc/88/54/72/589885472.db2.gz JDCWJPYOEFBYME-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000872156402 589885507 /nfs/dbraw/zinc/88/55/07/589885507.db2.gz JDCWJPYOEFBYME-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP COCC1([N@@H+](C)CC[C@H]2CC[NH2+]C2)CCC1 ZINC000872157055 589886555 /nfs/dbraw/zinc/88/65/55/589886555.db2.gz HMYURBHNSRNINR-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP COC(=O)CCC(C)(C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000873209437 589994980 /nfs/dbraw/zinc/99/49/80/589994980.db2.gz LUCNSTHYUYLCBU-UHFFFAOYSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccnn1C ZINC000873223023 589999531 /nfs/dbraw/zinc/99/95/31/589999531.db2.gz JNCMZINSXZKPOI-GHMZBOCLSA-N 2 1 222.336 1.213 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC1(C[NH3+])CC1 ZINC000873231556 590003154 /nfs/dbraw/zinc/00/31/54/590003154.db2.gz OCYVZVANQCGEEM-UHFFFAOYSA-N 3 1 213.369 1.176 20 0 BDADMP C[N@H+](CCCCCC[NH3+])CC1(CN)CC1 ZINC000873231556 590003157 /nfs/dbraw/zinc/00/31/57/590003157.db2.gz OCYVZVANQCGEEM-UHFFFAOYSA-N 2 1 213.369 1.176 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC1(CN)CC1 ZINC000873231556 590003160 /nfs/dbraw/zinc/00/31/60/590003160.db2.gz OCYVZVANQCGEEM-UHFFFAOYSA-N 2 1 213.369 1.176 20 0 BDADMP C[C@@H]1C[C@H](CN[C@@]23CCC[C@@H]2[NH2+]CC3)CC[NH2+]1 ZINC000873231857 590003294 /nfs/dbraw/zinc/00/32/94/590003294.db2.gz SAKYRSIBWZCTDL-YIYPIFLZSA-N 2 1 237.391 1.249 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873238231 590006083 /nfs/dbraw/zinc/00/60/83/590006083.db2.gz YLDBGBRVSJFRJR-QWHCGFSZSA-N 2 1 240.391 1.779 20 0 BDADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000873239595 590006109 /nfs/dbraw/zinc/00/61/09/590006109.db2.gz YRQDRCXQFSYVPV-NQBHXWOUSA-N 2 1 248.374 1.894 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000873243466 590006980 /nfs/dbraw/zinc/00/69/80/590006980.db2.gz LLKNSWRKZQYJNR-WOPDTQHZSA-N 2 1 228.405 1.860 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2ccccc21 ZINC000873256254 590011219 /nfs/dbraw/zinc/01/12/19/590011219.db2.gz NEVDETIFTZAXLQ-DMTCVQMQSA-N 2 1 231.343 1.458 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873268559 590015652 /nfs/dbraw/zinc/01/56/52/590015652.db2.gz XAIICRCUICEIGE-YRGRVCCFSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873268559 590015654 /nfs/dbraw/zinc/01/56/54/590015654.db2.gz XAIICRCUICEIGE-YRGRVCCFSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000873272823 590016666 /nfs/dbraw/zinc/01/66/66/590016666.db2.gz WSBIRQRPRJLIOZ-OUCADQQQSA-N 2 1 239.407 1.495 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CC[N@@H+](CC)C1)OC ZINC000876942693 590259205 /nfs/dbraw/zinc/25/92/05/590259205.db2.gz BTQCPWLZVZSSDM-BFHYXJOUSA-N 2 1 242.407 1.979 20 0 BDADMP COC(=O)C1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000877724287 590402632 /nfs/dbraw/zinc/40/26/32/590402632.db2.gz VPZIVCVTHGFNGK-QTAHKJALSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)C1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000877724287 590402635 /nfs/dbraw/zinc/40/26/35/590402635.db2.gz VPZIVCVTHGFNGK-QTAHKJALSA-N 2 1 240.347 1.010 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)C1CC1 ZINC000877741382 590409100 /nfs/dbraw/zinc/40/91/00/590409100.db2.gz VLNLIRDDHFYOLF-HZSPNIEDSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1CC1 ZINC000877741382 590409104 /nfs/dbraw/zinc/40/91/04/590409104.db2.gz VLNLIRDDHFYOLF-HZSPNIEDSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)C1CC1 ZINC000877741382 590409107 /nfs/dbraw/zinc/40/91/07/590409107.db2.gz VLNLIRDDHFYOLF-HZSPNIEDSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCOC3)CC[C@@H]21 ZINC000877743301 590410819 /nfs/dbraw/zinc/41/08/19/590410819.db2.gz VGTIWNFRRFHHJO-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCOC3)CC[C@@H]21 ZINC000877743301 590410821 /nfs/dbraw/zinc/41/08/21/590410821.db2.gz VGTIWNFRRFHHJO-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCOC3)CC[C@@H]21 ZINC000877743301 590410823 /nfs/dbraw/zinc/41/08/23/590410823.db2.gz VGTIWNFRRFHHJO-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)CC[C@@H]21 ZINC000877743301 590410826 /nfs/dbraw/zinc/41/08/26/590410826.db2.gz VGTIWNFRRFHHJO-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877743480 590412275 /nfs/dbraw/zinc/41/22/75/590412275.db2.gz WGQPEGDZYBIFOT-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000877743480 590412276 /nfs/dbraw/zinc/41/22/76/590412276.db2.gz WGQPEGDZYBIFOT-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000877743480 590412277 /nfs/dbraw/zinc/41/22/77/590412277.db2.gz WGQPEGDZYBIFOT-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529713 590792071 /nfs/dbraw/zinc/79/20/71/590792071.db2.gz CWTYPUKASSGKQS-MJBXVCDLSA-N 2 1 238.375 1.197 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529713 590792074 /nfs/dbraw/zinc/79/20/74/590792074.db2.gz CWTYPUKASSGKQS-MJBXVCDLSA-N 2 1 238.375 1.197 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529713 590792080 /nfs/dbraw/zinc/79/20/80/590792080.db2.gz CWTYPUKASSGKQS-MJBXVCDLSA-N 2 1 238.375 1.197 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529713 590792084 /nfs/dbraw/zinc/79/20/84/590792084.db2.gz CWTYPUKASSGKQS-MJBXVCDLSA-N 2 1 238.375 1.197 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCC3)CC[C@H]21 ZINC000879572879 590801039 /nfs/dbraw/zinc/80/10/39/590801039.db2.gz KDMKFIIDQYQIMT-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCC3)CC[C@H]21 ZINC000879572879 590801042 /nfs/dbraw/zinc/80/10/42/590801042.db2.gz KDMKFIIDQYQIMT-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC000879572879 590801045 /nfs/dbraw/zinc/80/10/45/590801045.db2.gz KDMKFIIDQYQIMT-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC000879572879 590801046 /nfs/dbraw/zinc/80/10/46/590801046.db2.gz KDMKFIIDQYQIMT-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570545 590805419 /nfs/dbraw/zinc/80/54/19/590805419.db2.gz GXDKWLRZCABSFK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570545 590805423 /nfs/dbraw/zinc/80/54/23/590805423.db2.gz GXDKWLRZCABSFK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570545 590805425 /nfs/dbraw/zinc/80/54/25/590805425.db2.gz GXDKWLRZCABSFK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570545 590805428 /nfs/dbraw/zinc/80/54/28/590805428.db2.gz GXDKWLRZCABSFK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(O)CCCC3)CC[C@@H]21 ZINC000879573336 590809528 /nfs/dbraw/zinc/80/95/28/590809528.db2.gz NSZRPQUCIBEIKW-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(O)CCCC3)CC[C@@H]21 ZINC000879573336 590809533 /nfs/dbraw/zinc/80/95/33/590809533.db2.gz NSZRPQUCIBEIKW-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(O)CCCC3)CC[C@@H]21 ZINC000879573336 590809538 /nfs/dbraw/zinc/80/95/38/590809538.db2.gz NSZRPQUCIBEIKW-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+]([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570789 590809946 /nfs/dbraw/zinc/80/99/46/590809946.db2.gz FTVMTJHFUJUMPN-REWJHTLYSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570789 590809949 /nfs/dbraw/zinc/80/99/49/590809949.db2.gz FTVMTJHFUJUMPN-REWJHTLYSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570789 590809951 /nfs/dbraw/zinc/80/99/51/590809951.db2.gz FTVMTJHFUJUMPN-REWJHTLYSA-N 2 1 238.375 1.316 20 0 BDADMP CCOCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573416 590810292 /nfs/dbraw/zinc/81/02/92/590810292.db2.gz NWVWJHWVMGEIRS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573416 590810296 /nfs/dbraw/zinc/81/02/96/590810296.db2.gz NWVWJHWVMGEIRS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573416 590810298 /nfs/dbraw/zinc/81/02/98/590810298.db2.gz NWVWJHWVMGEIRS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573416 590810301 /nfs/dbraw/zinc/81/03/01/590810301.db2.gz NWVWJHWVMGEIRS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCCO)CC[C@@H]21 ZINC000879573826 590812904 /nfs/dbraw/zinc/81/29/04/590812904.db2.gz SGVWLLHBMVPAEY-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCCO)CC[C@@H]21 ZINC000879573826 590812907 /nfs/dbraw/zinc/81/29/07/590812907.db2.gz SGVWLLHBMVPAEY-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCCO)CC[C@@H]21 ZINC000879573826 590812911 /nfs/dbraw/zinc/81/29/11/590812911.db2.gz SGVWLLHBMVPAEY-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCCO)CC[C@@H]21 ZINC000879573826 590812916 /nfs/dbraw/zinc/81/29/16/590812916.db2.gz SGVWLLHBMVPAEY-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3(C)COC3)CC[C@@H]21 ZINC000879574273 590813766 /nfs/dbraw/zinc/81/37/66/590813766.db2.gz YWKIONMQJYZVGP-RYUDHWBXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3(C)COC3)CC[C@@H]21 ZINC000879574273 590813771 /nfs/dbraw/zinc/81/37/71/590813771.db2.gz YWKIONMQJYZVGP-RYUDHWBXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(C)COC3)CC[C@@H]21 ZINC000879574273 590813774 /nfs/dbraw/zinc/81/37/74/590813774.db2.gz YWKIONMQJYZVGP-RYUDHWBXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@H]2CN(C[C@H]3CCC[N@@H+]3C)CC[C@@H]21 ZINC000879579055 590816620 /nfs/dbraw/zinc/81/66/20/590816620.db2.gz IXLFVTXVQWMIEF-MJBXVCDLSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579055 590816623 /nfs/dbraw/zinc/81/66/23/590816623.db2.gz IXLFVTXVQWMIEF-MJBXVCDLSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579055 590816626 /nfs/dbraw/zinc/81/66/26/590816626.db2.gz IXLFVTXVQWMIEF-MJBXVCDLSA-N 2 1 237.391 1.107 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580866 590822762 /nfs/dbraw/zinc/82/27/62/590822762.db2.gz VDCBAHXXZBFNKK-MELADBBJSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580866 590822767 /nfs/dbraw/zinc/82/27/67/590822767.db2.gz VDCBAHXXZBFNKK-MELADBBJSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580866 590822771 /nfs/dbraw/zinc/82/27/71/590822771.db2.gz VDCBAHXXZBFNKK-MELADBBJSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261847 590979724 /nfs/dbraw/zinc/97/97/24/590979724.db2.gz YVKJRZPLOREXAI-CHWSQXEVSA-N 2 1 249.358 1.221 20 0 BDADMP C[C@H](CO)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261849 590980849 /nfs/dbraw/zinc/98/08/49/590980849.db2.gz YVKJRZPLOREXAI-QWHCGFSZSA-N 2 1 249.358 1.221 20 0 BDADMP FC[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880298864 590993171 /nfs/dbraw/zinc/99/31/71/590993171.db2.gz LNROPGLYCIQGGF-CHWSQXEVSA-N 2 1 246.345 1.959 20 0 BDADMP C[C@@H]1CC[C@H](CO)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000880439719 591042842 /nfs/dbraw/zinc/04/28/42/591042842.db2.gz ICVFGLHDRUCTBK-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](CO)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000880439719 591042845 /nfs/dbraw/zinc/04/28/45/591042845.db2.gz ICVFGLHDRUCTBK-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](CO)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000880439719 591042847 /nfs/dbraw/zinc/04/28/47/591042847.db2.gz ICVFGLHDRUCTBK-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP CC1(C)[C@H]([NH2+]CCCCCCC[NH3+])C[C@@H]1N ZINC000883441940 591669454 /nfs/dbraw/zinc/66/94/54/591669454.db2.gz ASMAGEYKGGXDTN-NWDGAFQWSA-N 2 1 227.396 1.611 20 0 BDADMP CC1(C)[C@H](N)C[C@H]1[NH2+]CCCCCCC[NH3+] ZINC000883441942 591669942 /nfs/dbraw/zinc/66/99/42/591669942.db2.gz ASMAGEYKGGXDTN-VXGBXAGGSA-N 2 1 227.396 1.611 20 0 BDADMP CCOC(=O)CC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459490 591673697 /nfs/dbraw/zinc/67/36/97/591673697.db2.gz ZESUYVXIVFFJBM-UHFFFAOYSA-N 2 1 240.347 1.158 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459490 591673699 /nfs/dbraw/zinc/67/36/99/591673699.db2.gz ZESUYVXIVFFJBM-UHFFFAOYSA-N 2 1 240.347 1.158 20 0 BDADMP CCC[NH+]1CCC([NH2+]CC[S@](=O)CC)CC1 ZINC000133454500 591797951 /nfs/dbraw/zinc/79/79/51/591797951.db2.gz QAYLIRBSTMIWBV-INIZCTEOSA-N 2 1 246.420 1.219 20 0 BDADMP CSCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000134035812 591875239 /nfs/dbraw/zinc/87/52/39/591875239.db2.gz ITFYPRSJFMJOQO-JTQLQIEISA-N 2 1 216.394 1.812 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC000216574340 592055558 /nfs/dbraw/zinc/05/55/58/592055558.db2.gz WYAWJLBECPBWPE-NWPZZWLHSA-N 2 1 202.729 1.942 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CC3(CCC3)CO2)CC1 ZINC000886290414 592202127 /nfs/dbraw/zinc/20/21/27/592202127.db2.gz DQNINNXXBWNJMY-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000886313100 592205833 /nfs/dbraw/zinc/20/58/33/592205833.db2.gz XSNCLKOMIIAARE-HZSPNIEDSA-N 2 1 238.375 1.772 20 0 BDADMP C(C[C@H]1CCCO1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000886313101 592205892 /nfs/dbraw/zinc/20/58/92/592205892.db2.gz XSNCLKOMIIAARE-MELADBBJSA-N 2 1 238.375 1.772 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCCO1 ZINC000886314438 592207003 /nfs/dbraw/zinc/20/70/03/592207003.db2.gz YFORYZOPHDJAOO-CYBMUJFWSA-N 2 1 249.358 1.806 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886838124 592356529 /nfs/dbraw/zinc/35/65/29/592356529.db2.gz RJJUCFFHOYPPKZ-YNEHKIRRSA-N 2 1 224.348 1.084 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1[NH3+] ZINC000886837321 592358666 /nfs/dbraw/zinc/35/86/66/592358666.db2.gz FCYAUPCVXIOWLR-RQJABVFESA-N 2 1 238.375 1.472 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876193 592379115 /nfs/dbraw/zinc/37/91/15/592379115.db2.gz WBTJPNTUAMUXRG-AWEZNQCLSA-N 2 1 248.374 1.418 20 0 BDADMP CC[C@H](C)[C@H]([NH2+]CCC[NH+](CC)CC)C(N)=O ZINC000887057635 592434133 /nfs/dbraw/zinc/43/41/33/592434133.db2.gz PDSBBDSUPIBYIE-RYUDHWBXSA-N 2 1 243.395 1.208 20 0 BDADMP C[C@H](O)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134854 592449365 /nfs/dbraw/zinc/44/93/65/592449365.db2.gz RCQFNHRNXSUIBW-STQMWFEESA-N 2 1 249.358 1.363 20 0 BDADMP OCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300414536 592511936 /nfs/dbraw/zinc/51/19/36/592511936.db2.gz LWHDFAATPMXIRW-KBPBESRZSA-N 2 1 240.391 1.756 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925703372 634379421 /nfs/dbraw/zinc/37/94/21/634379421.db2.gz DKCSTZNLFALUBQ-LOWDOPEQSA-N 2 1 237.391 1.105 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925704585 634384993 /nfs/dbraw/zinc/38/49/93/634384993.db2.gz YWSHSSGPMDZSHU-FRRDWIJNSA-N 2 1 237.391 1.201 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C ZINC000299911462 634397483 /nfs/dbraw/zinc/39/74/83/634397483.db2.gz MSPWSZALLZWYSW-FVCCEPFGSA-N 2 1 226.364 1.471 20 0 BDADMP COC1CC(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925714752 634432647 /nfs/dbraw/zinc/43/26/47/634432647.db2.gz WCSJRRWVQGGUSU-IKWCTNDRSA-N 2 1 226.364 1.532 20 0 BDADMP C([C@H]1CCCOC1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257703286 634472635 /nfs/dbraw/zinc/47/26/35/634472635.db2.gz QPJBEAIFILIOQA-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257703286 634472640 /nfs/dbraw/zinc/47/26/40/634472640.db2.gz QPJBEAIFILIOQA-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CC[NH2+]CC1 ZINC000925730242 634553626 /nfs/dbraw/zinc/55/36/26/634553626.db2.gz VDQBRIGLPZNCIK-LOWVWBTDSA-N 3 1 225.380 1.105 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000125566557 634556613 /nfs/dbraw/zinc/55/66/13/634556613.db2.gz CIBSWDOQCOZLCO-LBPRGKRZSA-N 2 1 247.342 1.296 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C12CCC2 ZINC000423372109 634588324 /nfs/dbraw/zinc/58/83/24/634588324.db2.gz HWZGBRNEZHMZRQ-MROQNXINSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000398643345 634608295 /nfs/dbraw/zinc/60/82/95/634608295.db2.gz YRASFKVLVIFAAG-HZSPNIEDSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000398643345 634608300 /nfs/dbraw/zinc/60/83/00/634608300.db2.gz YRASFKVLVIFAAG-HZSPNIEDSA-N 2 1 240.391 1.754 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000308508304 631415001 /nfs/dbraw/zinc/41/50/01/631415001.db2.gz QPIJOYDJERLSTM-RKDXNWHRSA-N 2 1 206.280 1.843 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000308508304 631415007 /nfs/dbraw/zinc/41/50/07/631415007.db2.gz QPIJOYDJERLSTM-RKDXNWHRSA-N 2 1 206.280 1.843 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]CCc1c[nH+]cn1C ZINC000926205979 631428232 /nfs/dbraw/zinc/42/82/32/631428232.db2.gz FJHTZFVGZXFLRS-GFCCVEGCSA-N 2 1 244.342 1.578 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085542388 631460629 /nfs/dbraw/zinc/46/06/29/631460629.db2.gz TXYMKJALLGGVQB-BETUJISGSA-N 2 1 226.364 1.759 20 0 BDADMP CCCCOCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933744567 631500442 /nfs/dbraw/zinc/50/04/42/631500442.db2.gz MUYALRIXGHKVNI-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933744567 631500460 /nfs/dbraw/zinc/50/04/60/631500460.db2.gz MUYALRIXGHKVNI-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CCCCOCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933744567 631500476 /nfs/dbraw/zinc/50/04/76/631500476.db2.gz MUYALRIXGHKVNI-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CCCCOCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933744567 631500487 /nfs/dbraw/zinc/50/04/87/631500487.db2.gz MUYALRIXGHKVNI-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)([NH3+])C[NH2+]C[C@H](O)c1ccsc1 ZINC000308696942 631521040 /nfs/dbraw/zinc/52/10/40/631521040.db2.gz TXDMZMKKNURRJB-VIFPVBQESA-N 2 1 214.334 1.108 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934338923 631791013 /nfs/dbraw/zinc/79/10/13/631791013.db2.gz BJYOYYIRFCFLFU-IHRRRGAJSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934338923 631791017 /nfs/dbraw/zinc/79/10/17/631791017.db2.gz BJYOYYIRFCFLFU-IHRRRGAJSA-N 2 1 238.375 1.318 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056614 631832939 /nfs/dbraw/zinc/83/29/39/631832939.db2.gz QPWAYDLRONBAOO-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP OCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309251972 631982640 /nfs/dbraw/zinc/98/26/40/631982640.db2.gz FFHAXUJTUWOQAV-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP c1csc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000309286369 631991066 /nfs/dbraw/zinc/99/10/66/631991066.db2.gz OUHKAIWGAXBPGK-YPMHNXCESA-N 2 1 236.384 1.974 20 0 BDADMP C[NH+](C)C1CC[NH+](CCC2OCCCO2)CC1 ZINC000091465515 632018455 /nfs/dbraw/zinc/01/84/55/632018455.db2.gz PDOGCYCTKUMXDG-UHFFFAOYSA-N 2 1 242.363 1.166 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000075072495 632029913 /nfs/dbraw/zinc/02/99/13/632029913.db2.gz ZMCCKFZJXHOBND-ZDUSSCGKSA-N 2 1 234.343 1.866 20 0 BDADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000052042189 632054743 /nfs/dbraw/zinc/05/47/43/632054743.db2.gz KCTYDXBPBBOODC-LLVKDONJSA-N 2 1 226.368 1.098 20 0 BDADMP C1=C(CN[C@@H]2CC[N@@H+](CC3CC3)C2)COCC1 ZINC000127164700 632475260 /nfs/dbraw/zinc/47/52/60/632475260.db2.gz ISVSEDNBGHOBJM-CQSZACIVSA-N 2 1 236.359 1.407 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCSC[C@H]1C ZINC000235264051 632592101 /nfs/dbraw/zinc/59/21/01/632592101.db2.gz ZYHSVCBBPGABRV-MXWKQRLJSA-N 2 1 214.378 1.279 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000310082813 632700271 /nfs/dbraw/zinc/70/02/71/632700271.db2.gz KQPKKVWPTIBQOL-UONOGXRCSA-N 2 1 240.391 1.598 20 0 BDADMP c1nc2ccccn2c1C[NH2+]CCC[NH+]1CCC1 ZINC000095452894 632722403 /nfs/dbraw/zinc/72/24/03/632722403.db2.gz BPYHHNVIROVKTO-UHFFFAOYSA-N 2 1 244.342 1.520 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000091996150 632776115 /nfs/dbraw/zinc/77/61/15/632776115.db2.gz ITMUOURLWMJEIM-GFCCVEGCSA-N 2 1 249.358 1.799 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccnnc1 ZINC000926753752 632980336 /nfs/dbraw/zinc/98/03/36/632980336.db2.gz IXHTXGMLXVPWNM-STQMWFEESA-N 2 1 248.374 1.859 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccnnc1 ZINC000926753752 632980342 /nfs/dbraw/zinc/98/03/42/632980342.db2.gz IXHTXGMLXVPWNM-STQMWFEESA-N 2 1 248.374 1.859 20 0 BDADMP CCC[NH+]1CCC([N@H+](C)CC(OC)OC)CC1 ZINC000161401762 633005723 /nfs/dbraw/zinc/00/57/23/633005723.db2.gz FBAGOCLFVFJYPM-UHFFFAOYSA-N 2 1 244.379 1.412 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CC(OC)OC)CC1 ZINC000161401762 633005737 /nfs/dbraw/zinc/00/57/37/633005737.db2.gz FBAGOCLFVFJYPM-UHFFFAOYSA-N 2 1 244.379 1.412 20 0 BDADMP CCN1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000894408312 635893310 /nfs/dbraw/zinc/89/33/10/635893310.db2.gz ZLURXMFOGCORBU-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+]1CCN(CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000894408312 635893312 /nfs/dbraw/zinc/89/33/12/635893312.db2.gz ZLURXMFOGCORBU-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CCN(CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000894408312 635893316 /nfs/dbraw/zinc/89/33/16/635893316.db2.gz ZLURXMFOGCORBU-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+](CCNC(=O)CC1([NH3+])CCC1)C(C)C ZINC000167203609 633126331 /nfs/dbraw/zinc/12/63/31/633126331.db2.gz HIBFMYUFYBSQCV-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309511191 633184620 /nfs/dbraw/zinc/18/46/20/633184620.db2.gz PJBTZBYSNSGAHW-OUAUKWLOSA-N 2 1 230.302 1.867 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000123492376 636015158 /nfs/dbraw/zinc/01/51/58/636015158.db2.gz KAXTYSDKLPVSHQ-MXWKQRLJSA-N 2 1 214.378 1.551 20 0 BDADMP c1csc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)n1 ZINC000328561349 633775424 /nfs/dbraw/zinc/77/54/24/633775424.db2.gz GMGWAMLFSKUVCZ-BSFRTMCYSA-N 2 1 249.383 1.272 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925503087 633828831 /nfs/dbraw/zinc/82/88/31/633828831.db2.gz MWAAJCWIPBRCLT-VXGBXAGGSA-N 3 1 227.396 1.434 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000895442711 636145580 /nfs/dbraw/zinc/14/55/80/636145580.db2.gz KIIUVAXSUPZHNS-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP CO[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000309975784 634010305 /nfs/dbraw/zinc/01/03/05/634010305.db2.gz SOFJGCYLESULMO-WODVXLOZSA-N 2 1 226.364 1.626 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000925572316 634070291 /nfs/dbraw/zinc/07/02/91/634070291.db2.gz IBOAKFBFOXGNPV-RKDXNWHRSA-N 2 1 200.351 1.222 20 0 BDADMP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(N)[nH+]1 ZINC000310102137 634073553 /nfs/dbraw/zinc/07/35/53/634073553.db2.gz NUJQYQMPJUPIHF-JTQLQIEISA-N 2 1 237.351 1.508 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000925607704 634140256 /nfs/dbraw/zinc/14/02/56/634140256.db2.gz REHNNFAESUAVAJ-RYUDHWBXSA-N 2 1 248.374 1.491 20 0 BDADMP CCC[N@H+]1CC[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925613447 634152386 /nfs/dbraw/zinc/15/23/86/634152386.db2.gz RBVSTKSDFLMGSQ-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925614402 634156532 /nfs/dbraw/zinc/15/65/32/634156532.db2.gz YAFHNZIVPCYKDZ-STQMWFEESA-N 2 1 240.391 1.658 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCC[NH2+][C@H]1C ZINC000925670390 634250919 /nfs/dbraw/zinc/25/09/19/634250919.db2.gz JMPUAHGTPHFHAB-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCC[NH2+][C@H]1C ZINC000925676487 634265683 /nfs/dbraw/zinc/26/56/83/634265683.db2.gz MQERRNAVSQKQCI-IHRRRGAJSA-N 2 1 241.423 1.837 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]C1(C)C ZINC000925676065 634266245 /nfs/dbraw/zinc/26/62/45/634266245.db2.gz MIDDNORGERTOGV-CHWSQXEVSA-N 2 1 241.423 1.837 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCOC1 ZINC000925678032 634272246 /nfs/dbraw/zinc/27/22/46/634272246.db2.gz BRTAYHICHYHHDR-ZDUSSCGKSA-N 2 1 236.359 1.597 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000925683350 634287070 /nfs/dbraw/zinc/28/70/70/634287070.db2.gz PDDLHIHLBMMUPK-VXGBXAGGSA-N 2 1 244.354 1.483 20 0 BDADMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ncc[nH]1 ZINC000925689523 634308440 /nfs/dbraw/zinc/30/84/40/634308440.db2.gz BATRTMZEAWNPCV-NSHDSACASA-N 2 1 244.342 1.762 20 0 BDADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925697196 634359892 /nfs/dbraw/zinc/35/98/92/634359892.db2.gz ZJENVMJRVSTMFB-FRRDWIJNSA-N 2 1 238.375 1.412 20 0 BDADMP CC1(CN[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]CC1 ZINC000925699370 634366845 /nfs/dbraw/zinc/36/68/45/634366845.db2.gz OIEUXDWUDCEXAI-GFCCVEGCSA-N 2 1 237.391 1.250 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H](N)C23CCC3)C1 ZINC000925701995 634376424 /nfs/dbraw/zinc/37/64/24/634376424.db2.gz JBVJLAWBVLSYLO-QNWHQSFQSA-N 2 1 237.391 1.186 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925771669 635210286 /nfs/dbraw/zinc/21/02/86/635210286.db2.gz COZMYDIXAZNZCS-VXGBXAGGSA-N 2 1 238.375 1.676 20 0 BDADMP CC[C@H](C)[N@H+](C)CCNc1cc(NC)[nH+]cn1 ZINC000219292470 635273401 /nfs/dbraw/zinc/27/34/01/635273401.db2.gz SSXPJHYEEMFLBK-JTQLQIEISA-N 2 1 237.351 1.661 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNc1cc(NC)[nH+]cn1 ZINC000219292470 635273409 /nfs/dbraw/zinc/27/34/09/635273409.db2.gz SSXPJHYEEMFLBK-JTQLQIEISA-N 2 1 237.351 1.661 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832894 635474986 /nfs/dbraw/zinc/47/49/86/635474986.db2.gz QPYOXJZUVMIMSF-RGOKHQFPSA-N 2 1 236.281 1.772 20 0 BDADMP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@@H]1CC[NH2+]C1 ZINC000925873887 635596121 /nfs/dbraw/zinc/59/61/21/635596121.db2.gz MQLYCRPGXPVEBU-ZYHUDNBSSA-N 2 1 248.374 1.385 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CCCCCC[NH3+])CC[C@@H]21 ZINC000866703048 636932403 /nfs/dbraw/zinc/93/24/03/636932403.db2.gz FBQJBXSEHSRPOW-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCC[NH3+])CC[C@@H]21 ZINC000866703048 636932411 /nfs/dbraw/zinc/93/24/11/636932411.db2.gz FBQJBXSEHSRPOW-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCC[NH3+])CC[C@@H]21 ZINC000866703048 636932416 /nfs/dbraw/zinc/93/24/16/636932416.db2.gz FBQJBXSEHSRPOW-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCC[NH3+])CC[C@@H]21 ZINC000866703048 636932420 /nfs/dbraw/zinc/93/24/20/636932420.db2.gz FBQJBXSEHSRPOW-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCC[NH3+])CC[C@@H]21 ZINC000866703048 636932425 /nfs/dbraw/zinc/93/24/25/636932425.db2.gz FBQJBXSEHSRPOW-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704247 637011955 /nfs/dbraw/zinc/01/19/55/637011955.db2.gz CDSPJNFJYRBPCI-NWDGAFQWSA-N 2 1 249.358 1.780 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000054602582 637034951 /nfs/dbraw/zinc/03/49/51/637034951.db2.gz YOJXHQAAAFALSN-FUDCBSFHSA-N 2 1 238.375 1.757 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000054602582 637034957 /nfs/dbraw/zinc/03/49/57/637034957.db2.gz YOJXHQAAAFALSN-FUDCBSFHSA-N 2 1 238.375 1.757 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903437554 637360688 /nfs/dbraw/zinc/36/06/88/637360688.db2.gz JNTBJZONJGFYMV-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903437556 637360384 /nfs/dbraw/zinc/36/03/84/637360384.db2.gz JNTBJZONJGFYMV-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463591 637364761 /nfs/dbraw/zinc/36/47/61/637364761.db2.gz GEXPWAMAQGOXTG-RFQIPJPRSA-N 2 1 240.391 1.597 20 0 BDADMP CCCC[N@@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719077 637377058 /nfs/dbraw/zinc/37/70/58/637377058.db2.gz VARZPXGGQFDFOA-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721811 637378430 /nfs/dbraw/zinc/37/84/30/637378430.db2.gz FICFPJYMPAXXSB-UONOGXRCSA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722940 637378532 /nfs/dbraw/zinc/37/85/32/637378532.db2.gz FKOVVJOQRQGZTQ-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721813 637380386 /nfs/dbraw/zinc/38/03/86/637380386.db2.gz FICFPJYMPAXXSB-ZIAGYGMSSA-N 2 1 238.375 1.628 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903866216 637386867 /nfs/dbraw/zinc/38/68/67/637386867.db2.gz UMVVCJDEHJDSFW-ZDUSSCGKSA-N 2 1 226.364 1.631 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903866216 637386872 /nfs/dbraw/zinc/38/68/72/637386872.db2.gz UMVVCJDEHJDSFW-ZDUSSCGKSA-N 2 1 226.364 1.631 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H]1CCOC1 ZINC000904430649 637401221 /nfs/dbraw/zinc/40/12/21/637401221.db2.gz RXZZUMVZSZRWOY-ZIAGYGMSSA-N 2 1 238.375 1.631 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H]1CCOC1 ZINC000904430649 637401226 /nfs/dbraw/zinc/40/12/26/637401226.db2.gz RXZZUMVZSZRWOY-ZIAGYGMSSA-N 2 1 238.375 1.631 20 0 BDADMP [NH3+]C1(C[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000904442547 637410832 /nfs/dbraw/zinc/41/08/32/637410832.db2.gz DUJRAXMTMRJGCQ-UHFFFAOYSA-N 2 1 246.354 1.635 20 0 BDADMP C[C@H](C[NH2+]CC1([NH3+])CC1)c1ccccc1 ZINC000904443159 637411292 /nfs/dbraw/zinc/41/12/92/637411292.db2.gz HUYBVYSCHYSMGG-LLVKDONJSA-N 2 1 204.317 1.871 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000904451173 637416168 /nfs/dbraw/zinc/41/61/68/637416168.db2.gz WSKQJVXQRFBMJE-UHFFFAOYSA-N 2 1 248.355 1.719 20 0 BDADMP CC(C)[C@H](c1nc(C2([NH3+])CC2)no1)[C@H](C)[NH3+] ZINC000905326475 637757180 /nfs/dbraw/zinc/75/71/80/637757180.db2.gz DMVBMDHSSDHVLO-YUMQZZPRSA-N 2 1 224.308 1.104 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000906507784 638178746 /nfs/dbraw/zinc/17/87/46/638178746.db2.gz BZTAYMWNXMQGIN-HAQNSBGRSA-N 2 1 243.310 1.520 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cnc1Cl ZINC000906508375 638180283 /nfs/dbraw/zinc/18/02/83/638180283.db2.gz QAPNRLPMSIMFAA-MGCOHNPYSA-N 2 1 225.723 1.623 20 0 BDADMP Cc1cccn2c(C[NH2+]C3CC([NH3+])C3)cnc12 ZINC000906511227 638184528 /nfs/dbraw/zinc/18/45/28/638184528.db2.gz ZJXZDTMRSHVBNT-UHFFFAOYSA-N 2 1 230.315 1.222 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C[NH3+])C2)O1 ZINC000149749753 639109676 /nfs/dbraw/zinc/10/96/76/639109676.db2.gz UUZLDKVZQWIUJM-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H](C1CC1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931066265 640053741 /nfs/dbraw/zinc/05/37/41/640053741.db2.gz HRZIVFZWHHXMNQ-RISCZKNCSA-N 2 1 238.375 1.316 20 0 BDADMP CO[C@H](CC(C)C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277574 640130189 /nfs/dbraw/zinc/13/01/89/640130189.db2.gz LPTSWKSNEUNWGA-MQYQWHSLSA-N 2 1 240.391 1.539 20 0 BDADMP CO[C@H](CC(C)C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277574 640130196 /nfs/dbraw/zinc/13/01/96/640130196.db2.gz LPTSWKSNEUNWGA-MQYQWHSLSA-N 2 1 240.391 1.539 20 0 BDADMP CSCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931308457 640144191 /nfs/dbraw/zinc/14/41/91/640144191.db2.gz OCJJIFNVGAYLBL-VXGBXAGGSA-N 2 1 228.405 1.623 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000931347541 640164880 /nfs/dbraw/zinc/16/48/80/640164880.db2.gz AEXGBKAWLYCZMX-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC000931391151 640175084 /nfs/dbraw/zinc/17/50/84/640175084.db2.gz BEEYIYKWROFRTK-OKILXGFUSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC000931434203 640201770 /nfs/dbraw/zinc/20/17/70/640201770.db2.gz PSJOLBFRHRZQSP-KGLIPLIRSA-N 2 1 231.343 1.465 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000931434203 640201772 /nfs/dbraw/zinc/20/17/72/640201772.db2.gz PSJOLBFRHRZQSP-KGLIPLIRSA-N 2 1 231.343 1.465 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000931434203 640201776 /nfs/dbraw/zinc/20/17/76/640201776.db2.gz PSJOLBFRHRZQSP-KGLIPLIRSA-N 2 1 231.343 1.465 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000931440000 640208861 /nfs/dbraw/zinc/20/88/61/640208861.db2.gz RPZSRQIPEKWZHU-KGLIPLIRSA-N 2 1 231.343 1.465 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000931440000 640208866 /nfs/dbraw/zinc/20/88/66/640208866.db2.gz RPZSRQIPEKWZHU-KGLIPLIRSA-N 2 1 231.343 1.465 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2C1 ZINC000931439774 640209090 /nfs/dbraw/zinc/20/90/90/640209090.db2.gz ZTGMXHKRNFRUME-OLZOCXBDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2C1 ZINC000931439774 640209093 /nfs/dbraw/zinc/20/90/93/640209093.db2.gz ZTGMXHKRNFRUME-OLZOCXBDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2C1 ZINC000931439774 640209100 /nfs/dbraw/zinc/20/91/00/640209100.db2.gz ZTGMXHKRNFRUME-OLZOCXBDSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)CCO1 ZINC000932346441 640486917 /nfs/dbraw/zinc/48/69/17/640486917.db2.gz IDZBNXOHUAVZER-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CCO1 ZINC000932346441 640486920 /nfs/dbraw/zinc/48/69/20/640486920.db2.gz IDZBNXOHUAVZER-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224228582 640604583 /nfs/dbraw/zinc/60/45/83/640604583.db2.gz ASTSOWGIOCLJMS-WCQYABFASA-N 2 1 220.316 1.001 20 0 BDADMP CCO[C@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000932969685 640655496 /nfs/dbraw/zinc/65/54/96/640655496.db2.gz ONSKYJQUYZJRPE-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCO[C@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000932969685 640655498 /nfs/dbraw/zinc/65/54/98/640655498.db2.gz ONSKYJQUYZJRPE-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891911 640712151 /nfs/dbraw/zinc/71/21/51/640712151.db2.gz AEQRISFKGSMSQF-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000226422534 640762874 /nfs/dbraw/zinc/76/28/74/640762874.db2.gz LKLUOWMHUZADJF-DGCLKSJQSA-N 2 1 236.363 1.022 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000226677878 640788442 /nfs/dbraw/zinc/78/84/42/640788442.db2.gz WJHQODOVYKYTOF-UKRRQHHQSA-N 2 1 248.370 1.651 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000227072427 640812507 /nfs/dbraw/zinc/81/25/07/640812507.db2.gz UFJSFHSBECHLDI-KWCYVHTRSA-N 2 1 234.343 1.389 20 0 BDADMP C[N@@H+](CCNC(=O)CCCCCC[NH3+])C1CC1 ZINC000059931469 640841689 /nfs/dbraw/zinc/84/16/89/640841689.db2.gz BSNKPPIRPIVJSW-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934114093 641081441 /nfs/dbraw/zinc/08/14/41/641081441.db2.gz QIFPOBNAALDLAN-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934114093 641081444 /nfs/dbraw/zinc/08/14/44/641081444.db2.gz QIFPOBNAALDLAN-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000062862695 641101143 /nfs/dbraw/zinc/10/11/43/641101143.db2.gz VYYCEMWLQXVGPX-CQSZACIVSA-N 2 1 242.407 1.981 20 0 BDADMP C[N@@H+](C[C@H]1CCC[C@@H]1O)CC1CC[NH+](C)CC1 ZINC000063122163 641135300 /nfs/dbraw/zinc/13/53/00/641135300.db2.gz FRDWKSYMCRMFLQ-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779340205 641188392 /nfs/dbraw/zinc/18/83/92/641188392.db2.gz HJKHRHKHGBTXJA-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@@H+](C[C@@H](O)CC(F)(F)F)CC(C)(C)C[NH3+] ZINC000307936219 641193807 /nfs/dbraw/zinc/19/38/07/641193807.db2.gz IIFOFLCUPBCUEO-QMMMGPOBSA-N 2 1 242.285 1.216 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000232148781 641250359 /nfs/dbraw/zinc/25/03/59/641250359.db2.gz BXBLLXDPOIYWBL-OLZOCXBDSA-N 2 1 226.364 1.351 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232148781 641250364 /nfs/dbraw/zinc/25/03/64/641250364.db2.gz BXBLLXDPOIYWBL-OLZOCXBDSA-N 2 1 226.364 1.351 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000323948848 641310595 /nfs/dbraw/zinc/31/05/95/641310595.db2.gz CJTUSLSPVIXATB-NEPJUHHUSA-N 2 1 228.380 1.323 20 0 BDADMP CC1CCN(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089150327 641477603 /nfs/dbraw/zinc/47/76/03/641477603.db2.gz RATBHAAOKKUAFI-UONOGXRCSA-N 2 1 239.407 1.435 20 0 BDADMP Cn1c[nH+]cc1CCCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000314919585 641580177 /nfs/dbraw/zinc/58/01/77/641580177.db2.gz KLXHGKNJYVWDOQ-LBPRGKRZSA-N 2 1 236.363 1.022 20 0 BDADMP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000049056308 641708973 /nfs/dbraw/zinc/70/89/73/641708973.db2.gz VOZDWYJZRVUMMH-VIFPVBQESA-N 2 1 233.319 1.016 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000049056306 641709430 /nfs/dbraw/zinc/70/94/30/641709430.db2.gz VOZDWYJZRVUMMH-SECBINFHSA-N 2 1 233.319 1.016 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253236313 642632414 /nfs/dbraw/zinc/63/24/14/642632414.db2.gz NPILWZJRIFCJCP-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccc(Cl)nc1 ZINC000083347682 643438240 /nfs/dbraw/zinc/43/82/40/643438240.db2.gz GDKDMJDFBVOOMU-UHFFFAOYSA-N 2 1 213.712 1.434 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000082931363 643528505 /nfs/dbraw/zinc/52/85/05/643528505.db2.gz VVYBWFSZGIEJEC-NSHDSACASA-N 2 1 205.305 1.252 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH3+])C12CCCCC2 ZINC000083532410 643585040 /nfs/dbraw/zinc/58/50/40/643585040.db2.gz LGBVAXGNERNNQC-NWDGAFQWSA-N 2 1 226.364 1.663 20 0 BDADMP O=c1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc[nH]1 ZINC000921629600 643633284 /nfs/dbraw/zinc/63/32/84/643633284.db2.gz CUONCGDARQPCOP-LLVKDONJSA-N 2 1 244.298 1.088 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000084215692 643651326 /nfs/dbraw/zinc/65/13/26/643651326.db2.gz MWZIATKQBGNOIL-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922283634 643953366 /nfs/dbraw/zinc/95/33/66/643953366.db2.gz FUFHUTUTUJIRAJ-CYBMUJFWSA-N 2 1 249.358 1.609 20 0 BDADMP CCO[C@H](C[NH2+]CC(CC)CC)C[NH+](C)C ZINC000922762852 644089036 /nfs/dbraw/zinc/08/90/36/644089036.db2.gz ZDASSGBGHGDTHA-CYBMUJFWSA-N 2 1 230.396 1.979 20 0 BDADMP Cc1ccnc(NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000321280837 644116865 /nfs/dbraw/zinc/11/68/65/644116865.db2.gz HFTDYLOEMXWGBW-UHFFFAOYSA-N 2 1 234.347 1.225 20 0 BDADMP COCC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573187 644151605 /nfs/dbraw/zinc/15/16/05/644151605.db2.gz QHSKSIFTGOQKRY-YHWZYXNKSA-N 2 1 226.364 1.485 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923291760 644325769 /nfs/dbraw/zinc/32/57/69/644325769.db2.gz RUZMPYOEIPVMOH-GFCCVEGCSA-N 2 1 216.369 1.598 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923291207 644327128 /nfs/dbraw/zinc/32/71/28/644327128.db2.gz BXILEJLBTMNWTM-RYUDHWBXSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923291207 644327133 /nfs/dbraw/zinc/32/71/33/644327133.db2.gz BXILEJLBTMNWTM-RYUDHWBXSA-N 2 1 214.353 1.207 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923281610 644313753 /nfs/dbraw/zinc/31/37/53/644313753.db2.gz QGCMHXWGKKCCHC-HUUCEWRRSA-N 2 1 248.370 1.261 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923280905 644314323 /nfs/dbraw/zinc/31/43/23/644314323.db2.gz JTCQATBAZRIOBN-NWDGAFQWSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923287229 644321077 /nfs/dbraw/zinc/32/10/77/644321077.db2.gz CKRAFBKNUVTQJI-NWDGAFQWSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923287229 644321082 /nfs/dbraw/zinc/32/10/82/644321082.db2.gz CKRAFBKNUVTQJI-NWDGAFQWSA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923288107 644321611 /nfs/dbraw/zinc/32/16/11/644321611.db2.gz HKMYJBJAMILVAN-RDBSUJKOSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000923290344 644322749 /nfs/dbraw/zinc/32/27/49/644322749.db2.gz HWFBUODPMKEGIJ-GFCCVEGCSA-N 2 1 226.295 1.140 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300082 644325173 /nfs/dbraw/zinc/32/51/73/644325173.db2.gz NQXBTPRJXNFACZ-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000923290971 644325928 /nfs/dbraw/zinc/32/59/28/644325928.db2.gz PSNHWMXEMYKGLG-UKRRQHHQSA-N 2 1 248.370 1.570 20 0 BDADMP CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300281 644330707 /nfs/dbraw/zinc/33/07/07/644330707.db2.gz QACZIEAQELRPMD-IHRRRGAJSA-N 2 1 234.343 1.359 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307370 644337760 /nfs/dbraw/zinc/33/77/60/644337760.db2.gz RYKURNYVLPUQBM-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307366 644338314 /nfs/dbraw/zinc/33/83/14/644338314.db2.gz RYKURNYVLPUQBM-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923314233 644341673 /nfs/dbraw/zinc/34/16/73/644341673.db2.gz DVVBLJKXLDDVOO-WOPDTQHZSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316591 644343890 /nfs/dbraw/zinc/34/38/90/644343890.db2.gz PJCHNKKIEMQXAJ-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310215 644347464 /nfs/dbraw/zinc/34/74/64/644347464.db2.gz ZBWRMVLXWYXFIX-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP Cn1cc([C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)cn1 ZINC000923325272 644352095 /nfs/dbraw/zinc/35/20/95/644352095.db2.gz SQNZFYLUBWPJNM-GFCCVEGCSA-N 2 1 248.374 1.352 20 0 BDADMP [NH3+]CC[N@H+](CCO)C[C@H]1CC2CCC1CC2 ZINC000923331862 644360296 /nfs/dbraw/zinc/36/02/96/644360296.db2.gz OLCGKOAKUKOOBS-WXRRBKDZSA-N 2 1 226.364 1.066 20 0 BDADMP [NH3+]CC[N@@H+](CCO)C[C@H]1CC2CCC1CC2 ZINC000923331862 644360298 /nfs/dbraw/zinc/36/02/98/644360298.db2.gz OLCGKOAKUKOOBS-WXRRBKDZSA-N 2 1 226.364 1.066 20 0 BDADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923348329 644361328 /nfs/dbraw/zinc/36/13/28/644361328.db2.gz CXHTUHODCCXXRO-LFAHVKQVSA-N 3 1 249.402 1.058 20 0 BDADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358989 644367051 /nfs/dbraw/zinc/36/70/51/644367051.db2.gz NSPOZWFIEIKBLM-XQQFMLRXSA-N 2 1 226.364 1.079 20 0 BDADMP CCc1ncc(C[N@@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000923353921 644369854 /nfs/dbraw/zinc/36/98/54/644369854.db2.gz NZSIOHBNCBOTLF-NSHDSACASA-N 2 1 237.347 1.940 20 0 BDADMP CCc1ncc(C[N@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000923353921 644369857 /nfs/dbraw/zinc/36/98/57/644369857.db2.gz NZSIOHBNCBOTLF-NSHDSACASA-N 2 1 237.347 1.940 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923354794 644372072 /nfs/dbraw/zinc/37/20/72/644372072.db2.gz WQRHWOAAKREDIU-ZIAGYGMSSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923355805 644372702 /nfs/dbraw/zinc/37/27/02/644372702.db2.gz OGIAGOAKHYNXBF-GJZGRUSLSA-N 2 1 248.370 1.261 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354982 644372765 /nfs/dbraw/zinc/37/27/65/644372765.db2.gz XRBWOBTZYZXKMH-RKFYDKJMSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354982 644372770 /nfs/dbraw/zinc/37/27/70/644372770.db2.gz XRBWOBTZYZXKMH-RKFYDKJMSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354982 644372774 /nfs/dbraw/zinc/37/27/74/644372774.db2.gz XRBWOBTZYZXKMH-RKFYDKJMSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354982 644372777 /nfs/dbraw/zinc/37/27/77/644372777.db2.gz XRBWOBTZYZXKMH-RKFYDKJMSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC000923366184 644378571 /nfs/dbraw/zinc/37/85/71/644378571.db2.gz KOCJNCPNTDXLDJ-JWURUJNWSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC000923366184 644378572 /nfs/dbraw/zinc/37/85/72/644378572.db2.gz KOCJNCPNTDXLDJ-JWURUJNWSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1N ZINC000923366184 644378575 /nfs/dbraw/zinc/37/85/75/644378575.db2.gz KOCJNCPNTDXLDJ-JWURUJNWSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1N ZINC000923366184 644378578 /nfs/dbraw/zinc/37/85/78/644378578.db2.gz KOCJNCPNTDXLDJ-JWURUJNWSA-N 2 1 237.391 1.186 20 0 BDADMP CC(C)OCC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923366936 644379374 /nfs/dbraw/zinc/37/93/74/644379374.db2.gz BFRRMDBCVXHIHY-VXGBXAGGSA-N 2 1 246.395 1.125 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CCC[NH2+]C2CC2)C[C@H]1C ZINC000923373850 644387969 /nfs/dbraw/zinc/38/79/69/644387969.db2.gz UQMUCWUOQCTHSW-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923373350 644388325 /nfs/dbraw/zinc/38/83/25/644388325.db2.gz MXHPYMONWYVEEY-UPJWGTAASA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+](C[C@H](O)Cc1ccccc1)C1(C[NH3+])CCC1 ZINC000923362898 644389040 /nfs/dbraw/zinc/38/90/40/644389040.db2.gz QKWIUCKWMPIYFN-CQSZACIVSA-N 2 1 248.370 1.403 20 0 BDADMP C[N@@H+](C[C@H](O)Cc1ccccc1)C1(C[NH3+])CCC1 ZINC000923362898 644389047 /nfs/dbraw/zinc/38/90/47/644389047.db2.gz QKWIUCKWMPIYFN-CQSZACIVSA-N 2 1 248.370 1.403 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376299 644391979 /nfs/dbraw/zinc/39/19/79/644391979.db2.gz KSJGFIQKHKKEEC-RWMBFGLXSA-N 2 1 238.375 1.485 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923392233 644398827 /nfs/dbraw/zinc/39/88/27/644398827.db2.gz IZNJGONEFMZTBT-KOLCDFICSA-N 2 1 237.347 1.857 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923392233 644398833 /nfs/dbraw/zinc/39/88/33/644398833.db2.gz IZNJGONEFMZTBT-KOLCDFICSA-N 2 1 237.347 1.857 20 0 BDADMP CCCCCC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923412003 644413461 /nfs/dbraw/zinc/41/34/61/644413461.db2.gz VONUYMRGNSZQCA-NEPJUHHUSA-N 2 1 216.369 1.597 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923412003 644413463 /nfs/dbraw/zinc/41/34/63/644413463.db2.gz VONUYMRGNSZQCA-NEPJUHHUSA-N 2 1 216.369 1.597 20 0 BDADMP CCc1onc(C)c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923412271 644414378 /nfs/dbraw/zinc/41/43/78/644414378.db2.gz QQRNKRCQTKOHDP-KOLCDFICSA-N 2 1 237.347 1.572 20 0 BDADMP CCN1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000084220339 644420980 /nfs/dbraw/zinc/42/09/80/644420980.db2.gz SRMXHVVMPIANOE-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP CSC[C@@H](O)C[N@@H+](C)CCCCCC[NH3+] ZINC000923428576 644422641 /nfs/dbraw/zinc/42/26/41/644422641.db2.gz XZPPRSGTLNOEOF-NSHDSACASA-N 2 1 234.409 1.161 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@@H+]1CCCCCCC[NH3+] ZINC000923436565 644427687 /nfs/dbraw/zinc/42/76/87/644427687.db2.gz PBJPOBRKRNIFID-HZSPNIEDSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCCCCCC[NH3+] ZINC000923436565 644427694 /nfs/dbraw/zinc/42/76/94/644427694.db2.gz PBJPOBRKRNIFID-HZSPNIEDSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@H]1CCC[NH2+]C1 ZINC000085432107 644440291 /nfs/dbraw/zinc/44/02/91/644440291.db2.gz ZJFRCABTFDCEKJ-QWRGUYRKSA-N 2 1 249.362 1.343 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000085869852 644450970 /nfs/dbraw/zinc/45/09/70/644450970.db2.gz SMGNUPOXYCADEG-WXRRBKDZSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000086015450 644456114 /nfs/dbraw/zinc/45/61/14/644456114.db2.gz WHTVMMTVUIIJGB-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP CN(C[C@@H]1CCC[N@H+]1C)C[C@]1(C)CC[NH2+]C1 ZINC000086189444 644458055 /nfs/dbraw/zinc/45/80/55/644458055.db2.gz LCDOCJHWARELDQ-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)nc(C)n1 ZINC000923482275 644460139 /nfs/dbraw/zinc/46/01/39/644460139.db2.gz YCZAZKCJJREQMV-LBPRGKRZSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000923482230 644460189 /nfs/dbraw/zinc/46/01/89/644460189.db2.gz XVWXWEGMZCIVTJ-MNOVXSKESA-N 2 1 223.320 1.715 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496217 644462498 /nfs/dbraw/zinc/46/24/98/644462498.db2.gz GUFFTDNJEAYKLN-RYUDHWBXSA-N 2 1 242.363 1.245 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000923484136 644463146 /nfs/dbraw/zinc/46/31/46/644463146.db2.gz WISURWIBQBXAOF-ZDUSSCGKSA-N 3 1 225.380 1.047 20 0 BDADMP Cc1csc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923496269 644463205 /nfs/dbraw/zinc/46/32/05/644463205.db2.gz GZFRICQRBJSPEQ-GXSJLCMTSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1nccnc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491029 644464974 /nfs/dbraw/zinc/46/49/74/644464974.db2.gz QBAUHZNULNOFKG-PWSUYJOCSA-N 2 1 234.347 1.202 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490676 644465559 /nfs/dbraw/zinc/46/55/59/644465559.db2.gz OQKOZSFCUVXNQP-NEPJUHHUSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@H]1C[N@@H+](CCCc2ccncc2)CC[C@@H]1C[NH3+] ZINC000923492727 644467383 /nfs/dbraw/zinc/46/73/83/644467383.db2.gz CIMJNLROHRKUMR-DZGCQCFKSA-N 2 1 247.386 1.931 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C[NH3+] ZINC000923491874 644467761 /nfs/dbraw/zinc/46/77/61/644467761.db2.gz KBVFYUQEKFPXMP-NDBYEHHHSA-N 3 1 225.380 1.031 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccn1 ZINC000923491908 644468775 /nfs/dbraw/zinc/46/87/75/644468775.db2.gz VBKLJTVCZSWWPG-FZMZJTMJSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCO)CC[C@H]1C[NH3+] ZINC000923502251 644469734 /nfs/dbraw/zinc/46/97/34/644469734.db2.gz YIWQJGVEYDWMAK-OLZOCXBDSA-N 2 1 228.380 1.456 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCO)CC[C@H]1C[NH3+] ZINC000923502255 644469889 /nfs/dbraw/zinc/46/98/89/644469889.db2.gz YIWQJGVEYDWMAK-STQMWFEESA-N 2 1 228.380 1.456 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923493550 644469907 /nfs/dbraw/zinc/46/99/07/644469907.db2.gz ILILARGFBSHSQG-ADEWGFFLSA-N 2 1 237.347 1.961 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923493552 644470708 /nfs/dbraw/zinc/47/07/08/644470708.db2.gz ILILARGFBSHSQG-USWWRNFRSA-N 2 1 237.347 1.961 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923502024 644470751 /nfs/dbraw/zinc/47/07/51/644470751.db2.gz WBJOGBJGEHZXCE-OCCSQVGLSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923516167 644478931 /nfs/dbraw/zinc/47/89/31/644478931.db2.gz ZXIMTONLODFJMV-FBIMIBRVSA-N 2 1 223.320 1.571 20 0 BDADMP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923516167 644478934 /nfs/dbraw/zinc/47/89/34/644478934.db2.gz ZXIMTONLODFJMV-FBIMIBRVSA-N 2 1 223.320 1.571 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516856 644479180 /nfs/dbraw/zinc/47/91/80/644479180.db2.gz WBQCTGWWACABKP-UONOGXRCSA-N 3 1 239.407 1.437 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923529896 644483660 /nfs/dbraw/zinc/48/36/60/644483660.db2.gz CXONMMFRUKWVRR-UONOGXRCSA-N 2 1 240.391 1.613 20 0 BDADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518379 644483929 /nfs/dbraw/zinc/48/39/29/644483929.db2.gz DQWSSGZQJQVREB-GZBLMMOJSA-N 2 1 234.387 1.964 20 0 BDADMP C(C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@H]1CCCO1 ZINC000923533346 644490358 /nfs/dbraw/zinc/49/03/58/644490358.db2.gz KMNWAUWWGQIBFU-KGLIPLIRSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@H]1CCCO1 ZINC000923533346 644490359 /nfs/dbraw/zinc/49/03/59/644490359.db2.gz KMNWAUWWGQIBFU-KGLIPLIRSA-N 2 1 238.375 1.774 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923548932 644495213 /nfs/dbraw/zinc/49/52/13/644495213.db2.gz CKUFCHYEAWOISX-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(=O)[nH]1 ZINC000923555782 644500251 /nfs/dbraw/zinc/50/02/51/644500251.db2.gz WMHSBNIWWHTDRF-UHFFFAOYSA-N 2 1 237.347 1.738 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089147959 644536092 /nfs/dbraw/zinc/53/60/92/644536092.db2.gz SFNMPHFUIHIZRL-JSGCOSHPSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)C[NH+]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091547842 644629782 /nfs/dbraw/zinc/62/97/82/644629782.db2.gz AYZUFUYDILSPAJ-KGLIPLIRSA-N 2 1 239.407 1.387 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782623414 644745075 /nfs/dbraw/zinc/74/50/75/644745075.db2.gz RBHVTNFPYNFBKF-KGLIPLIRSA-N 2 1 249.358 1.286 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782623414 644745081 /nfs/dbraw/zinc/74/50/81/644745081.db2.gz RBHVTNFPYNFBKF-KGLIPLIRSA-N 2 1 249.358 1.286 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)N(C)C ZINC000251205775 644797187 /nfs/dbraw/zinc/79/71/87/644797187.db2.gz LPMAQGBRHRTDQK-HZSPNIEDSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cccs2)CC[C@H]1[NH3+] ZINC000251891183 644830434 /nfs/dbraw/zinc/83/04/34/644830434.db2.gz VPECSFKSULBOID-CMPLNLGQSA-N 2 1 224.373 1.960 20 0 BDADMP [NH3+]CCC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000414756174 644870697 /nfs/dbraw/zinc/87/06/97/644870697.db2.gz IUQSTFSTEDWSGY-OAHLLOKOSA-N 2 1 248.370 1.361 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000414756174 644870700 /nfs/dbraw/zinc/87/07/00/644870700.db2.gz IUQSTFSTEDWSGY-OAHLLOKOSA-N 2 1 248.370 1.361 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000252982441 644929890 /nfs/dbraw/zinc/92/98/90/644929890.db2.gz WJFIIPBTTLAHOK-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1ccccc1OCC[NH2+]CC1([NH3+])CCC1 ZINC000843367679 645286151 /nfs/dbraw/zinc/28/61/51/645286151.db2.gz IWTCBKJQHQKFSF-UHFFFAOYSA-N 2 1 234.343 1.845 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccnnc1 ZINC000926574068 645293026 /nfs/dbraw/zinc/29/30/26/645293026.db2.gz UHIQSABBAHNSPA-OLZOCXBDSA-N 2 1 248.374 1.859 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000927025368 645525317 /nfs/dbraw/zinc/52/53/17/645525317.db2.gz HLVBAMDFTROEQL-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858117095 645670864 /nfs/dbraw/zinc/67/08/64/645670864.db2.gz ZQIIBKQOZWFFHN-OLZOCXBDSA-N 2 1 242.407 1.856 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000886839316 645891463 /nfs/dbraw/zinc/89/14/63/645891463.db2.gz BQOJAXVTFLNYHT-BFHYXJOUSA-N 2 1 236.359 1.241 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000886839316 645891465 /nfs/dbraw/zinc/89/14/65/645891465.db2.gz BQOJAXVTFLNYHT-BFHYXJOUSA-N 2 1 236.359 1.241 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000924654313 646085599 /nfs/dbraw/zinc/08/55/99/646085599.db2.gz BJYKCEGDQPZYIU-NSHDSACASA-N 2 1 248.798 1.704 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924755418 646101802 /nfs/dbraw/zinc/10/18/02/646101802.db2.gz WFNYKZBEKRSETI-STQMWFEESA-N 2 1 248.374 1.859 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924755418 646101810 /nfs/dbraw/zinc/10/18/10/646101810.db2.gz WFNYKZBEKRSETI-STQMWFEESA-N 2 1 248.374 1.859 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925471880 646288990 /nfs/dbraw/zinc/28/89/90/646288990.db2.gz BLZOWIMTOAWLKU-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925471879 646289651 /nfs/dbraw/zinc/28/96/51/646289651.db2.gz BLZOWIMTOAWLKU-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925479014 646291928 /nfs/dbraw/zinc/29/19/28/646291928.db2.gz PRGOHOSHIJCMRE-OLZOCXBDSA-N 2 1 240.391 1.658 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925483668 646294452 /nfs/dbraw/zinc/29/44/52/646294452.db2.gz WYYUHDBVYXQSMB-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925483742 646295466 /nfs/dbraw/zinc/29/54/66/646295466.db2.gz XWICZMGCOKHYIB-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP C[C@H](CN[C@@H]1CC[NH2+]C1(C)C)[N@@H+](C)C1CC1 ZINC000925496303 646301538 /nfs/dbraw/zinc/30/15/38/646301538.db2.gz PZSQRZBCHMYRDY-ZYHUDNBSSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@H](CN[C@H]1CC[NH2+]C1(C)C)[N@@H+](C)C1CC1 ZINC000925496298 646301831 /nfs/dbraw/zinc/30/18/31/646301831.db2.gz PZSQRZBCHMYRDY-JQWIXIFHSA-N 2 1 225.380 1.199 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)CO)C1 ZINC000929777111 646304793 /nfs/dbraw/zinc/30/47/93/646304793.db2.gz AIENVEDEIDPKKG-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925522450 646314705 /nfs/dbraw/zinc/31/47/05/646314705.db2.gz RRRAKUVVIINCDK-FRRDWIJNSA-N 3 1 241.423 1.822 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C(C)(C)C ZINC000925529181 646316866 /nfs/dbraw/zinc/31/68/66/646316866.db2.gz ZMOGEPFFVKCROD-GHMZBOCLSA-N 2 1 228.380 1.778 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000925529250 646320638 /nfs/dbraw/zinc/32/06/38/646320638.db2.gz DEKVZEKAYFCZCZ-NXEZZACHSA-N 2 1 214.378 1.612 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1(C)C ZINC000925543955 646323602 /nfs/dbraw/zinc/32/36/02/646323602.db2.gz XJZHKUSAKXWLSQ-GMTAPVOTSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925557798 646332777 /nfs/dbraw/zinc/33/27/77/646332777.db2.gz QOLQXVNGHZRUGS-IACUBPJLSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000925575053 646342648 /nfs/dbraw/zinc/34/26/48/646342648.db2.gz TZPKEXOXOFMKRR-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000929847189 646358713 /nfs/dbraw/zinc/35/87/13/646358713.db2.gz LUYRGRCWVXRWIU-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929847189 646358717 /nfs/dbraw/zinc/35/87/17/646358717.db2.gz LUYRGRCWVXRWIU-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929847189 646358722 /nfs/dbraw/zinc/35/87/22/646358722.db2.gz LUYRGRCWVXRWIU-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925611164 646359154 /nfs/dbraw/zinc/35/91/54/646359154.db2.gz AXVMAWWOJHQFLW-NWDGAFQWSA-N 2 1 226.364 1.268 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925609344 646360033 /nfs/dbraw/zinc/36/00/33/646360033.db2.gz TVBPDIGGXICSGA-NEPJUHHUSA-N 2 1 226.364 1.412 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925611165 646360609 /nfs/dbraw/zinc/36/06/09/646360609.db2.gz AXVMAWWOJHQFLW-RYUDHWBXSA-N 2 1 226.364 1.268 20 0 BDADMP Cc1occc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925615914 646365770 /nfs/dbraw/zinc/36/57/70/646365770.db2.gz JIMWNKYIDWDMIA-VXGBXAGGSA-N 2 1 220.316 1.948 20 0 BDADMP CCOCCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925622451 646369706 /nfs/dbraw/zinc/36/97/06/646369706.db2.gz NLFORUADXYTNDD-CHWSQXEVSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925623129 646369772 /nfs/dbraw/zinc/36/97/72/646369772.db2.gz OYOQWMIQXUICDC-AGIUHOORSA-N 2 1 237.391 1.330 20 0 BDADMP CC1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)OCCO1 ZINC000925640353 646383137 /nfs/dbraw/zinc/38/31/37/646383137.db2.gz RHKXRYDQRGFMLH-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP OCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925647978 646389404 /nfs/dbraw/zinc/38/94/04/646389404.db2.gz LKAORCIMJLKMSW-LBPRGKRZSA-N 2 1 238.375 1.413 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]CCCCCO)c1ccccc1 ZINC000925653754 646391722 /nfs/dbraw/zinc/39/17/22/646391722.db2.gz NSBHJKSWWKVOLY-JSGCOSHPSA-N 2 1 236.359 1.827 20 0 BDADMP FCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925657437 646395354 /nfs/dbraw/zinc/39/53/54/646395354.db2.gz SHYIBUXIDGMIDI-VXGBXAGGSA-N 2 1 214.328 1.714 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C12CCC2 ZINC000925667199 646397761 /nfs/dbraw/zinc/39/77/61/646397761.db2.gz AORDABWWLNXTIQ-BIMULSAOSA-N 2 1 246.358 1.127 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925672851 646402576 /nfs/dbraw/zinc/40/25/76/646402576.db2.gz KVYQJXMATIEIMX-VXGBXAGGSA-N 2 1 226.364 1.125 20 0 BDADMP OC[C@H](CC1CCC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925674223 646403354 /nfs/dbraw/zinc/40/33/54/646403354.db2.gz QAVLDQLXABKGSA-QWHCGFSZSA-N 2 1 238.375 1.412 20 0 BDADMP COCC1(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000925679509 646406834 /nfs/dbraw/zinc/40/68/34/646406834.db2.gz ZXNAXXGCYXIURV-STQMWFEESA-N 2 1 240.391 1.923 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689528 646416810 /nfs/dbraw/zinc/41/68/10/646416810.db2.gz BLPMFWOYJJWEEH-CHWSQXEVSA-N 3 1 241.423 1.870 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925699897 646422908 /nfs/dbraw/zinc/42/29/08/646422908.db2.gz LVLNDXBKFYQXQT-SYQHCUMBSA-N 3 1 239.407 1.482 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000925701623 646424813 /nfs/dbraw/zinc/42/48/13/646424813.db2.gz CGNFJIBNCSOWIV-OCCSQVGLSA-N 2 1 245.370 1.753 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925701727 646425147 /nfs/dbraw/zinc/42/51/47/646425147.db2.gz DSPSYDBJDWJWOO-GRYCIOLGSA-N 2 1 225.380 1.057 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)C1 ZINC000925704989 646429245 /nfs/dbraw/zinc/42/92/45/646429245.db2.gz HFWOCVCOGIRMFC-QCNOEVLYSA-N 2 1 243.370 1.182 20 0 BDADMP Cc1ccncc1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925708887 646432254 /nfs/dbraw/zinc/43/22/54/646432254.db2.gz SWZCWSQPHHJTPK-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925709359 646434001 /nfs/dbraw/zinc/43/40/01/646434001.db2.gz IPUSJOQDIYVWIV-UONOGXRCSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729234 646454398 /nfs/dbraw/zinc/45/43/98/646454398.db2.gz ZHEBSTXFQFSEGY-IMIFBBOLSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@H]([NH3+])[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729234 646454404 /nfs/dbraw/zinc/45/44/04/646454404.db2.gz ZHEBSTXFQFSEGY-IMIFBBOLSA-N 2 1 233.359 1.402 20 0 BDADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1nccn1C ZINC000925740789 646462844 /nfs/dbraw/zinc/46/28/44/646462844.db2.gz LLACYZXZRDJDSS-VIFPVBQESA-N 2 1 210.325 1.198 20 0 BDADMP CCC1([NH3+])CCN([C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000925755329 646463674 /nfs/dbraw/zinc/46/36/74/646463674.db2.gz DLRUIPLCCWXFNJ-VXGBXAGGSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925756736 646464231 /nfs/dbraw/zinc/46/42/31/646464231.db2.gz YIUDRPANBAHXMV-GHMZBOCLSA-N 2 1 249.358 1.589 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@H]1CCC[NH2+]1 ZINC000925772498 646473345 /nfs/dbraw/zinc/47/33/45/646473345.db2.gz IGHZIUCQIJMMHY-DGAVXFQQSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cnccn1 ZINC000925778245 646474957 /nfs/dbraw/zinc/47/49/57/646474957.db2.gz JFLUDKGNQVUEES-GARJFASQSA-N 2 1 220.320 1.397 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cnccn1 ZINC000925778243 646475984 /nfs/dbraw/zinc/47/59/84/646475984.db2.gz JFLUDKGNQVUEES-DCAQKATOSA-N 2 1 220.320 1.397 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925779686 646477065 /nfs/dbraw/zinc/47/70/65/646477065.db2.gz ZJPLSTSAMWQNIS-QWRGUYRKSA-N 2 1 249.349 1.338 20 0 BDADMP C[C@H]([NH2+]C1CCC(C)(O)CC1)c1c[nH+]ccc1N ZINC000925780104 646477944 /nfs/dbraw/zinc/47/79/44/646477944.db2.gz OKFHSRQNCQCVPG-IFQILLTASA-N 2 1 249.358 1.838 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC=CC1 ZINC000925830359 646499544 /nfs/dbraw/zinc/49/95/44/646499544.db2.gz CVEONTAXYUSJHC-YPMHNXCESA-N 2 1 208.349 1.930 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)nn1C ZINC000925832523 646501016 /nfs/dbraw/zinc/50/10/16/646501016.db2.gz GBMVTEJXVYKGIK-CYBMUJFWSA-N 2 1 248.374 1.145 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925891139 646533576 /nfs/dbraw/zinc/53/35/76/646533576.db2.gz SPDOZHSVVKJUND-MWLCHTKSSA-N 2 1 237.347 1.633 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926173299 646589327 /nfs/dbraw/zinc/58/93/27/646589327.db2.gz JWELVFAVEOWGHB-AWEZNQCLSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926173299 646589328 /nfs/dbraw/zinc/58/93/28/646589328.db2.gz JWELVFAVEOWGHB-AWEZNQCLSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCCOC1 ZINC000926430807 646636735 /nfs/dbraw/zinc/63/67/35/646636735.db2.gz IRWUHHZUUSZSIM-PBWFPOADSA-N 2 1 236.359 1.263 20 0 BDADMP C[C@@H]1COCC[N@@H+](CCCCCC[NH3+])C1 ZINC000399266955 711746362 /nfs/dbraw/zinc/74/63/62/711746362.db2.gz OIKMOBQPPNOAAZ-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](COC)C(C)C)C1 ZINC000721914741 711918485 /nfs/dbraw/zinc/91/84/85/711918485.db2.gz SJVJJXTZBNYODV-STQMWFEESA-N 2 1 228.380 1.446 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000721919450 711920146 /nfs/dbraw/zinc/92/01/46/711920146.db2.gz LUKKIOZBLHVARG-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000703162659 712067414 /nfs/dbraw/zinc/06/74/14/712067414.db2.gz JLYQLRHLENLJKP-YYJSSNLHSA-N 2 1 212.337 1.081 20 0 BDADMP COC1CC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000703851419 712090400 /nfs/dbraw/zinc/09/04/00/712090400.db2.gz XJCHHXPTFYJVBA-POOIEITISA-N 2 1 224.348 1.095 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000703851419 712090403 /nfs/dbraw/zinc/09/04/03/712090403.db2.gz XJCHHXPTFYJVBA-POOIEITISA-N 2 1 224.348 1.095 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000705311253 712127585 /nfs/dbraw/zinc/12/75/85/712127585.db2.gz YWWCBFPBGLIMPI-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP CSC1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000706896552 712159511 /nfs/dbraw/zinc/15/95/11/712159511.db2.gz AOBFNKZOHGZHGT-QKEWWQLBSA-N 2 1 228.405 1.953 20 0 BDADMP CSC1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000706896552 712159513 /nfs/dbraw/zinc/15/95/13/712159513.db2.gz AOBFNKZOHGZHGT-QKEWWQLBSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708338113 712189447 /nfs/dbraw/zinc/18/94/47/712189447.db2.gz REWYFXMKEPDTOI-SDDRHHMPSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000708338526 712189104 /nfs/dbraw/zinc/18/91/04/712189104.db2.gz DLQLYUGQQBEQRL-NSHDSACASA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC000708343018 712189179 /nfs/dbraw/zinc/18/91/79/712189179.db2.gz YJFIASRMCMHGJP-AGIUHOORSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)[C@H](C[NH3+])C1 ZINC000708348688 712190049 /nfs/dbraw/zinc/19/00/49/712190049.db2.gz NSVXYUKFYMNFQC-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)[C@H](C[NH3+])C1 ZINC000708348688 712190052 /nfs/dbraw/zinc/19/00/52/712190052.db2.gz NSVXYUKFYMNFQC-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000709033891 712206234 /nfs/dbraw/zinc/20/62/34/712206234.db2.gz BQLNGAJZZHUPPT-NNYUYHANSA-N 2 1 212.337 1.223 20 0 BDADMP FC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000711440775 712300513 /nfs/dbraw/zinc/30/05/13/712300513.db2.gz FSIJNIIUDSPBIY-VXGBXAGGSA-N 2 1 214.328 1.668 20 0 BDADMP [NH3+][C@H]1CCCCC[N@H+](CCOC2CC2)C1 ZINC000711775679 712328623 /nfs/dbraw/zinc/32/86/23/712328623.db2.gz AEKXWESSKPVMAA-NSHDSACASA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+][C@H]1CCCCC[N@@H+](CCOC2CC2)C1 ZINC000711775679 712328625 /nfs/dbraw/zinc/32/86/25/712328625.db2.gz AEKXWESSKPVMAA-NSHDSACASA-N 2 1 212.337 1.369 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000923480161 712334399 /nfs/dbraw/zinc/33/43/99/712334399.db2.gz WAFSBGLCEGXOLM-JTQLQIEISA-N 2 1 223.320 1.408 20 0 BDADMP CC(C)C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000379704367 712392539 /nfs/dbraw/zinc/39/25/39/712392539.db2.gz RYBKXISKIMWPON-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000712557926 712445711 /nfs/dbraw/zinc/44/57/11/712445711.db2.gz OWGAEQBBDADNTN-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]cc1C ZINC000712565564 712446339 /nfs/dbraw/zinc/44/63/39/712446339.db2.gz QOAZDBKQIUTHPE-NSHDSACASA-N 2 1 205.305 1.318 20 0 BDADMP Cc1[nH+]ccc(NC[C@H]2CC[N@@H+]2C)c1Cl ZINC000712576985 712448390 /nfs/dbraw/zinc/44/83/90/712448390.db2.gz CZQRZJVCWOHUQZ-SECBINFHSA-N 2 1 225.723 1.581 20 0 BDADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)OC1 ZINC000713592941 712466195 /nfs/dbraw/zinc/46/61/95/712466195.db2.gz OQDOYIKBVWPZAQ-NWDGAFQWSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713588934 712466217 /nfs/dbraw/zinc/46/62/17/712466217.db2.gz YGWQFHOKMFDBJT-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP C[N@@H+](CCCF)C[C@H]1CCCC[NH2+]C1 ZINC000716809924 712575770 /nfs/dbraw/zinc/57/57/70/712575770.db2.gz UBDRNEYFUJPQQE-NSHDSACASA-N 2 1 202.317 1.668 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000716853563 712578675 /nfs/dbraw/zinc/57/86/75/712578675.db2.gz PPYUFTGPLFPDKB-CRWXNKLISA-N 2 1 240.391 1.752 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000037485313 712650895 /nfs/dbraw/zinc/65/08/95/712650895.db2.gz SRLYDIZYWIIABP-WDEREUQCSA-N 2 1 208.349 1.859 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCO ZINC000717431336 712657848 /nfs/dbraw/zinc/65/78/48/712657848.db2.gz PTCOAIRYZMUMKX-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCO ZINC000717431336 712657849 /nfs/dbraw/zinc/65/78/49/712657849.db2.gz PTCOAIRYZMUMKX-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCCO ZINC000717431336 712657850 /nfs/dbraw/zinc/65/78/50/712657850.db2.gz PTCOAIRYZMUMKX-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCCO ZINC000717431336 712657851 /nfs/dbraw/zinc/65/78/51/712657851.db2.gz PTCOAIRYZMUMKX-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717613950 712662263 /nfs/dbraw/zinc/66/22/63/712662263.db2.gz JQMXOKUVNIQWOD-QJPTWQEYSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000389706348 712689920 /nfs/dbraw/zinc/68/99/20/712689920.db2.gz LBJJGDKWQYJZNY-OPRDCNLKSA-N 2 1 220.307 1.947 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000389706348 712689921 /nfs/dbraw/zinc/68/99/21/712689921.db2.gz LBJJGDKWQYJZNY-OPRDCNLKSA-N 2 1 220.307 1.947 20 0 BDADMP C[C@H]([NH2+]CCC[NH3+])c1c(F)cccc1F ZINC000037713191 712745049 /nfs/dbraw/zinc/74/50/49/712745049.db2.gz OLCQSFUCJXDFRQ-QMMMGPOBSA-N 2 1 214.259 1.964 20 0 BDADMP Cc1[nH+]ccc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c1Cl ZINC000719569214 712810318 /nfs/dbraw/zinc/81/03/18/712810318.db2.gz HQHNCXFHXVLFCG-ZJUUUORDSA-N 2 1 239.750 1.970 20 0 BDADMP C[C@@H](COCc1ccccc1)C[N@H+](C)CC[NH3+] ZINC000719486255 712809038 /nfs/dbraw/zinc/80/90/38/712809038.db2.gz QSLFHBIHSLJLRX-CYBMUJFWSA-N 2 1 236.359 1.730 20 0 BDADMP C[C@@H](COCc1ccccc1)C[N@@H+](C)CC[NH3+] ZINC000719486255 712809039 /nfs/dbraw/zinc/80/90/39/712809039.db2.gz QSLFHBIHSLJLRX-CYBMUJFWSA-N 2 1 236.359 1.730 20 0 BDADMP CCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720873974 712873110 /nfs/dbraw/zinc/87/31/10/712873110.db2.gz YZYCHPCUVOFZLZ-SFYZADRCSA-N 2 1 210.243 1.465 20 0 BDADMP CC1(C)C[N@@H+](CCC[NH2+]C2CC2)CCCO1 ZINC000381299733 710618492 /nfs/dbraw/zinc/61/84/92/710618492.db2.gz HUSOJISOIWOSDT-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)C1CC1 ZINC000381326871 710622751 /nfs/dbraw/zinc/62/27/51/710622751.db2.gz RJOCASQQZIZWDB-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723702198 710731475 /nfs/dbraw/zinc/73/14/75/710731475.db2.gz ZCQYUGKJTHSMKU-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP OC1CC2(C[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000724987277 710752911 /nfs/dbraw/zinc/75/29/11/710752911.db2.gz UKYZPPLGLXIMGY-YCQMLSDISA-N 2 1 236.359 1.116 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)o1 ZINC000382161812 710801201 /nfs/dbraw/zinc/80/12/01/710801201.db2.gz COSJJBGRLGGGRF-KCJUWKMLSA-N 2 1 223.320 1.603 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)o1 ZINC000382161812 710801205 /nfs/dbraw/zinc/80/12/05/710801205.db2.gz COSJJBGRLGGGRF-KCJUWKMLSA-N 2 1 223.320 1.603 20 0 BDADMP CO[C@H](C)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396544578 710906790 /nfs/dbraw/zinc/90/67/90/710906790.db2.gz BPOBAGGWMGOPOS-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000396706578 710907214 /nfs/dbraw/zinc/90/72/14/710907214.db2.gz NISLZVCLNSWTGT-GRYCIOLGSA-N 2 1 214.353 1.388 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396577107 710907628 /nfs/dbraw/zinc/90/76/28/710907628.db2.gz CZEJCHWSRXMVQJ-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP COC(=O)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000385287049 711009960 /nfs/dbraw/zinc/00/99/60/711009960.db2.gz BKJQFSXYPARSMU-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP C[C@H]([N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)C1(C)CC1 ZINC000385455277 711013204 /nfs/dbraw/zinc/01/32/04/711013204.db2.gz CUVDCKYCLGTSAC-WOPDTQHZSA-N 2 1 210.365 1.962 20 0 BDADMP COCC[C@H](C)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388013116 711050272 /nfs/dbraw/zinc/05/02/72/711050272.db2.gz DARGEBBHELXNOD-VHSXEESVSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388013116 711050273 /nfs/dbraw/zinc/05/02/73/711050273.db2.gz DARGEBBHELXNOD-VHSXEESVSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388013116 711050275 /nfs/dbraw/zinc/05/02/75/711050275.db2.gz DARGEBBHELXNOD-VHSXEESVSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCO ZINC000389329581 711076270 /nfs/dbraw/zinc/07/62/70/711076270.db2.gz URLXJFUSXHAQCZ-WDEREUQCSA-N 2 1 202.342 1.076 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCO ZINC000389329581 711076272 /nfs/dbraw/zinc/07/62/72/711076272.db2.gz URLXJFUSXHAQCZ-WDEREUQCSA-N 2 1 202.342 1.076 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000390433686 711116076 /nfs/dbraw/zinc/11/60/76/711116076.db2.gz QWVUQPAANYQDMN-WHXUTIOJSA-N 2 1 232.318 1.962 20 0 BDADMP c1ccc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)nc1 ZINC000392897041 711153458 /nfs/dbraw/zinc/15/34/58/711153458.db2.gz XYVPRQVJKQZHHY-RCZQDCHWSA-N 2 1 243.354 1.210 20 0 BDADMP CC[C@H](C)C[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000393903023 711178796 /nfs/dbraw/zinc/17/87/96/711178796.db2.gz QJTKZRJRWMEJFU-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000393903023 711178797 /nfs/dbraw/zinc/17/87/97/711178797.db2.gz QJTKZRJRWMEJFU-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H](CCCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000395075112 711200892 /nfs/dbraw/zinc/20/08/92/711200892.db2.gz ZYVVARPCNANONR-RLAWYHOSSA-N 2 1 240.391 1.610 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396604392 711355923 /nfs/dbraw/zinc/35/59/23/711355923.db2.gz IDORMOVTWPUDCJ-RYUDHWBXSA-N 2 1 228.380 1.515 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000396576471 711357289 /nfs/dbraw/zinc/35/72/89/711357289.db2.gz CPYLXWHXYXOPIV-VXGBXAGGSA-N 2 1 226.364 1.269 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396588914 711357775 /nfs/dbraw/zinc/35/77/75/711357775.db2.gz VYXBNDPJFOLIBZ-GUBZILKMSA-N 2 1 202.367 1.468 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)c1nccs1 ZINC000396610334 711359327 /nfs/dbraw/zinc/35/93/27/711359327.db2.gz JTMNKNNAGCMHDZ-OUAUKWLOSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000396611786 711359358 /nfs/dbraw/zinc/35/93/58/711359358.db2.gz REDQPLNHHOGOAL-MNOVXSKESA-N 2 1 241.379 1.021 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000396602613 711359505 /nfs/dbraw/zinc/35/95/05/711359505.db2.gz NVNJLCCCBIMLJO-RWMBFGLXSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000396708652 711367592 /nfs/dbraw/zinc/36/75/92/711367592.db2.gz OKBOFTFNFROMII-CMPLNLGQSA-N 2 1 208.349 1.907 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000398144684 711403547 /nfs/dbraw/zinc/40/35/47/711403547.db2.gz XGAVMIMGVPEBHL-CHWSQXEVSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC(F)F ZINC000398185538 711403899 /nfs/dbraw/zinc/40/38/99/711403899.db2.gz OMPLBVDEVJZRDC-YUMQZZPRSA-N 2 1 208.252 1.037 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC(F)F ZINC000398185538 711403902 /nfs/dbraw/zinc/40/39/02/711403902.db2.gz OMPLBVDEVJZRDC-YUMQZZPRSA-N 2 1 208.252 1.037 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000721961594 710693969 /nfs/dbraw/zinc/69/39/69/710693969.db2.gz FJALMLZKOAYDCS-UONOGXRCSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383186381 710979204 /nfs/dbraw/zinc/97/92/04/710979204.db2.gz QXQDXKZSXYPSIV-UATFONFRSA-N 2 1 248.292 1.913 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396650279 711362821 /nfs/dbraw/zinc/36/28/21/711362821.db2.gz DHAJQMJFPQXGSI-WOPDTQHZSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000396647640 711362906 /nfs/dbraw/zinc/36/29/06/711362906.db2.gz COQXIOGRCWSKQK-BDAKNGLRSA-N 2 1 206.280 1.762 20 0 BDADMP CC(C)COCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396689088 711364565 /nfs/dbraw/zinc/36/45/65/711364565.db2.gz ZQAMFEGNBYFYKM-STQMWFEESA-N 2 1 228.380 1.779 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396721258 711366402 /nfs/dbraw/zinc/36/64/02/711366402.db2.gz WCJRNYYIMHYJLW-SWLSCSKDSA-N 2 1 248.370 1.968 20 0 BDADMP CNc1cc(NCC2([NH+](C)C)CCCC2)nc[nH+]1 ZINC000133711762 711455686 /nfs/dbraw/zinc/45/56/86/711455686.db2.gz RXHRFUYIHDCOKZ-UHFFFAOYSA-N 2 1 249.362 1.805 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721439876 711476413 /nfs/dbraw/zinc/47/64/13/711476413.db2.gz ZZBBAYYRZKJBDN-DTWKUNHWSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723626652 711526701 /nfs/dbraw/zinc/52/67/01/711526701.db2.gz CFIAJVIQEIOQRL-WISYIIOYSA-N 2 1 212.337 1.128 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000723642461 711529548 /nfs/dbraw/zinc/52/95/48/711529548.db2.gz WCVSWXHTZLIPBY-RWMBFGLXSA-N 2 1 249.358 1.851 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)o1 ZINC000723646560 711529892 /nfs/dbraw/zinc/52/98/92/711529892.db2.gz JNBJBRKTHZRPDV-QWHCGFSZSA-N 2 1 249.358 1.865 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)o1 ZINC000723646560 711529893 /nfs/dbraw/zinc/52/98/93/711529893.db2.gz JNBJBRKTHZRPDV-QWHCGFSZSA-N 2 1 249.358 1.865 20 0 BDADMP CCc1cnc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000723678550 711533785 /nfs/dbraw/zinc/53/37/85/711533785.db2.gz VPUJURYFRIUZTK-JTQLQIEISA-N 2 1 239.388 1.876 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000723683044 711533873 /nfs/dbraw/zinc/53/38/73/711533873.db2.gz NWHFEBMUJBIUPV-NSHDSACASA-N 2 1 234.347 1.389 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723678361 711534153 /nfs/dbraw/zinc/53/41/53/711534153.db2.gz KFHPTQWGFFRGNQ-LLVKDONJSA-N 2 1 238.331 1.597 20 0 BDADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711968 711535274 /nfs/dbraw/zinc/53/52/74/711535274.db2.gz BWEPGFUHDIDAEV-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000723703726 711535646 /nfs/dbraw/zinc/53/56/46/711535646.db2.gz VJNBKKGSZHEGKQ-NSHDSACASA-N 2 1 244.342 1.734 20 0 BDADMP CCCCOC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712654 711535740 /nfs/dbraw/zinc/53/57/40/711535740.db2.gz PDBRGPYLBDIGFJ-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP CCOC(=O)[C@@H](CC)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892290 711543947 /nfs/dbraw/zinc/54/39/47/711543947.db2.gz QYXKSQPQWIGNIL-IJLUTSLNSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892595 711544472 /nfs/dbraw/zinc/54/44/72/711544472.db2.gz SGZICNRPRKRQOK-IJLUTSLNSA-N 2 1 234.347 1.454 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nc1 ZINC000723903242 711545029 /nfs/dbraw/zinc/54/50/29/711545029.db2.gz VFYBCPMWYWYFCU-VXGBXAGGSA-N 2 1 234.347 1.202 20 0 BDADMP CC(C)COCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725037066 711645538 /nfs/dbraw/zinc/64/55/38/711645538.db2.gz SRMRDTHCRRDZDK-UHFFFAOYSA-N 2 1 244.379 1.099 20 0 BDADMP CC(C)COCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725037066 711645540 /nfs/dbraw/zinc/64/55/40/711645540.db2.gz SRMRDTHCRRDZDK-UHFFFAOYSA-N 2 1 244.379 1.099 20 0 BDADMP C[C@@H](F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000393953513 711680803 /nfs/dbraw/zinc/68/08/03/711680803.db2.gz RSGPFTWTSAONLL-WAAKLRNESA-N 2 1 214.328 1.949 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721915818 711694172 /nfs/dbraw/zinc/69/41/72/711694172.db2.gz VUGPUCOZTGRKBL-AVGNSLFASA-N 2 1 228.380 1.717 20 0 BDADMP CC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925712256 711711828 /nfs/dbraw/zinc/71/18/28/711711828.db2.gz XESNYTQRZYBYES-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257640199 711721140 /nfs/dbraw/zinc/72/11/40/711721140.db2.gz APNDVFLSEQSNLE-NEPJUHHUSA-N 2 1 226.389 1.567 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257640199 711721142 /nfs/dbraw/zinc/72/11/42/711721142.db2.gz APNDVFLSEQSNLE-NEPJUHHUSA-N 2 1 226.389 1.567 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000722006634 711898126 /nfs/dbraw/zinc/89/81/26/711898126.db2.gz WTDSOEFNAAIUDJ-AXFHLTTASA-N 2 1 212.337 1.081 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000722006634 711898128 /nfs/dbraw/zinc/89/81/28/711898128.db2.gz WTDSOEFNAAIUDJ-AXFHLTTASA-N 2 1 212.337 1.081 20 0 BDADMP C[NH+](C)CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000705692529 712133967 /nfs/dbraw/zinc/13/39/67/712133967.db2.gz WKOCKEPOUAEEIO-NWDGAFQWSA-N 2 1 233.315 1.001 20 0 BDADMP CC(C)[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666298 712135092 /nfs/dbraw/zinc/13/50/92/712135092.db2.gz GOLJDRKHKJKUEB-MCIONIFRSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666298 712135094 /nfs/dbraw/zinc/13/50/94/712135094.db2.gz GOLJDRKHKJKUEB-MCIONIFRSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705666298 712135096 /nfs/dbraw/zinc/13/50/96/712135096.db2.gz GOLJDRKHKJKUEB-MCIONIFRSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705666298 712135097 /nfs/dbraw/zinc/13/50/97/712135097.db2.gz GOLJDRKHKJKUEB-MCIONIFRSA-N 2 1 240.391 1.277 20 0 BDADMP COCC1([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000706415179 712146007 /nfs/dbraw/zinc/14/60/07/712146007.db2.gz CYAOANDRQJCYBW-MNOVXSKESA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000708859009 712201594 /nfs/dbraw/zinc/20/15/94/712201594.db2.gz SVTAQJMCUAKMBO-GXFFZTMASA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])CC(C)(C)C ZINC000709133224 712209827 /nfs/dbraw/zinc/20/98/27/712209827.db2.gz YMHTUMKOUQUNEM-QWRGUYRKSA-N 2 1 216.369 1.310 20 0 BDADMP CC1(C)C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C(C)(C)O1 ZINC000709689618 712215508 /nfs/dbraw/zinc/21/55/08/712215508.db2.gz WNDXHNYZUWLRLL-WDEREUQCSA-N 2 1 226.364 1.613 20 0 BDADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)C(C)(C)O1 ZINC000709689618 712215509 /nfs/dbraw/zinc/21/55/09/712215509.db2.gz WNDXHNYZUWLRLL-WDEREUQCSA-N 2 1 226.364 1.613 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C(C)(C)O1 ZINC000709687393 712215702 /nfs/dbraw/zinc/21/57/02/712215702.db2.gz PRRAMGNZXOOCNC-NWDGAFQWSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccn1)C2 ZINC000709823637 712228718 /nfs/dbraw/zinc/22/87/18/712228718.db2.gz RJWXCZYQTAWBKH-LOWVWBTDSA-N 2 1 217.316 1.393 20 0 BDADMP C(COC1CCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000709845015 712229286 /nfs/dbraw/zinc/22/92/86/712229286.db2.gz YWGISGOMZOBEOR-CHWSQXEVSA-N 2 1 238.375 1.772 20 0 BDADMP C(COC1CCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000709845021 712229324 /nfs/dbraw/zinc/22/93/24/712229324.db2.gz YWGISGOMZOBEOR-STQMWFEESA-N 2 1 238.375 1.772 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000709864930 712230194 /nfs/dbraw/zinc/23/01/94/712230194.db2.gz VOHMIJPUXUENHU-XDQVBPFNSA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000710275091 712250469 /nfs/dbraw/zinc/25/04/69/712250469.db2.gz AVDNGSGPQAAEJM-LLVKDONJSA-N 2 1 228.380 1.861 20 0 BDADMP [NH3+][C@H](C[NH2+][C@]12C[C@H]1CCCC2)CC(F)F ZINC000710353066 712252556 /nfs/dbraw/zinc/25/25/56/712252556.db2.gz JVNNHZJYMFAKQE-WCABBAIRSA-N 2 1 218.291 1.891 20 0 BDADMP CC[C@H](O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710713424 712254731 /nfs/dbraw/zinc/25/47/31/712254731.db2.gz IOSQDUQXGBDUQQ-NSHDSACASA-N 2 1 202.342 1.208 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711249524 712291258 /nfs/dbraw/zinc/29/12/58/712291258.db2.gz LFFHPBKYVIRZOG-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP FC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000711456070 712304610 /nfs/dbraw/zinc/30/46/10/712304610.db2.gz QXPJOGYJCXAGLC-RYUDHWBXSA-N 2 1 214.328 1.668 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CF)C1 ZINC000711458853 712304636 /nfs/dbraw/zinc/30/46/36/712304636.db2.gz YZDSOALUVWZOMZ-WDEREUQCSA-N 2 1 202.317 1.651 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](CF)C1 ZINC000711458853 712304637 /nfs/dbraw/zinc/30/46/37/712304637.db2.gz YZDSOALUVWZOMZ-WDEREUQCSA-N 2 1 202.317 1.651 20 0 BDADMP FC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000711456066 712304769 /nfs/dbraw/zinc/30/47/69/712304769.db2.gz QXPJOGYJCXAGLC-NEPJUHHUSA-N 2 1 214.328 1.668 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000923480412 712335291 /nfs/dbraw/zinc/33/52/91/712335291.db2.gz YCODKYOBUKBWMR-AGIUHOORSA-N 2 1 224.348 1.084 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000379007782 712368061 /nfs/dbraw/zinc/36/80/61/712368061.db2.gz IFYCWOKJZFYWCS-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](CO)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000379007782 712368063 /nfs/dbraw/zinc/36/80/63/712368063.db2.gz IFYCWOKJZFYWCS-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[N@H+](C[C@H]1CCC2(CCC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000712437573 712430097 /nfs/dbraw/zinc/43/00/97/712430097.db2.gz IWODAMVUVGZDCT-OLZOCXBDSA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(CCC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000712437573 712430098 /nfs/dbraw/zinc/43/00/98/712430098.db2.gz IWODAMVUVGZDCT-OLZOCXBDSA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(CCC2)O1)C1CC[NH2+]CC1 ZINC000712437556 712430126 /nfs/dbraw/zinc/43/01/26/712430126.db2.gz IQYSSIXVFFQBLS-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP CCc1cc(NC[C@@H]2CC[N@@H+]2CC)cc[nH+]1 ZINC000712582918 712434122 /nfs/dbraw/zinc/43/41/22/712434122.db2.gz RUPOZBPNROYFLB-ZDUSSCGKSA-N 2 1 219.332 1.572 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000712661900 712439970 /nfs/dbraw/zinc/43/99/70/712439970.db2.gz BVLJDCONQYUXMG-RYUDHWBXSA-N 2 1 228.380 1.576 20 0 BDADMP CC1(C)CC[NH2+]CC[N@@H+]1CCc1cccnc1 ZINC000712539600 712443446 /nfs/dbraw/zinc/44/34/46/712443446.db2.gz DIEYXRFQPILJPL-UHFFFAOYSA-N 2 1 233.359 1.698 20 0 BDADMP CC1(C)CC[NH2+]CC[N@H+]1CCc1cccnc1 ZINC000712539600 712443447 /nfs/dbraw/zinc/44/34/47/712443447.db2.gz DIEYXRFQPILJPL-UHFFFAOYSA-N 2 1 233.359 1.698 20 0 BDADMP Cc1[nH+]ccc(NC[C@H]2CC[N@H+]2C)c1Cl ZINC000712576985 712448389 /nfs/dbraw/zinc/44/83/89/712448389.db2.gz CZQRZJVCWOHUQZ-SECBINFHSA-N 2 1 225.723 1.581 20 0 BDADMP C[N@H+](C[C@@H]1CCC(C)(C)CO1)[C@@H](C[NH3+])C1CC1 ZINC000713585665 712466038 /nfs/dbraw/zinc/46/60/38/712466038.db2.gz KNYZTWYWMKYUAF-STQMWFEESA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+](C[C@@H]1CCC(C)(C)CO1)[C@@H](C[NH3+])C1CC1 ZINC000713585665 712466041 /nfs/dbraw/zinc/46/60/41/712466041.db2.gz KNYZTWYWMKYUAF-STQMWFEESA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000713590862 712466074 /nfs/dbraw/zinc/46/60/74/712466074.db2.gz GUXNXXJLLWQDCZ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000713590862 712466076 /nfs/dbraw/zinc/46/60/76/712466076.db2.gz GUXNXXJLLWQDCZ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)OC1 ZINC000713592940 712466290 /nfs/dbraw/zinc/46/62/90/712466290.db2.gz OQDOYIKBVWPZAQ-NEPJUHHUSA-N 2 1 226.364 1.472 20 0 BDADMP COC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714438394 712487880 /nfs/dbraw/zinc/48/78/80/712487880.db2.gz NCKKXUKDCCZPLL-JTQLQIEISA-N 2 1 242.363 1.245 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000714612226 712488264 /nfs/dbraw/zinc/48/82/64/712488264.db2.gz DXINWFGVKJIKPY-FIQHERPVSA-N 2 1 212.337 1.142 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000714612223 712488388 /nfs/dbraw/zinc/48/83/88/712488388.db2.gz DXINWFGVKJIKPY-DDHJBXDOSA-N 2 1 212.337 1.142 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000036779714 712494865 /nfs/dbraw/zinc/49/48/65/712494865.db2.gz RWBKTJACXZVUNS-GFCCVEGCSA-N 2 1 222.307 1.649 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000714692767 712495985 /nfs/dbraw/zinc/49/59/85/712495985.db2.gz WBQHUEFPGDIOBM-CYDGBPFRSA-N 2 1 226.364 1.484 20 0 BDADMP CCC1([NH3+])CC[NH+](Cc2ccccn2)CC1 ZINC000714757891 712497781 /nfs/dbraw/zinc/49/77/81/712497781.db2.gz OESOUMKDGPMYHE-UHFFFAOYSA-N 2 1 219.332 1.785 20 0 BDADMP C[NH+](C)C1(C)CCC([NH2+]CC(C)(C)N)CC1 ZINC000715489004 712520636 /nfs/dbraw/zinc/52/06/36/712520636.db2.gz ASXBSJFUAWLPBQ-UHFFFAOYSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715493413 712523306 /nfs/dbraw/zinc/52/33/06/712523306.db2.gz BYFRHEVXVUFTFA-BFHYXJOUSA-N 2 1 238.375 1.615 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715493006 712523467 /nfs/dbraw/zinc/52/34/67/712523467.db2.gz BIMNHHNVNVWNSL-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715493006 712523469 /nfs/dbraw/zinc/52/34/69/712523469.db2.gz BIMNHHNVNVWNSL-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715513043 712524300 /nfs/dbraw/zinc/52/43/00/712524300.db2.gz YAWBFWRQYZKYGQ-FPMFFAJLSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715511722 712524560 /nfs/dbraw/zinc/52/45/60/712524560.db2.gz TWYPRSQKBUNVIJ-RUZUBIRVSA-N 2 1 238.375 1.756 20 0 BDADMP C[NH+](C)C1(C)CCC([NH2+]Cc2ccn[nH]2)CC1 ZINC000715513497 712524938 /nfs/dbraw/zinc/52/49/38/712524938.db2.gz QTSQJLOADXTXAN-UHFFFAOYSA-N 2 1 236.363 1.762 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](C)CC1 ZINC000036993512 712527144 /nfs/dbraw/zinc/52/71/44/712527144.db2.gz YCBDDUULFIZLFB-NSHDSACASA-N 2 1 222.332 1.894 20 0 BDADMP Cc1n[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000716460532 712562983 /nfs/dbraw/zinc/56/29/83/712562983.db2.gz FFTKSMHUTZFNKM-YHWZYXNKSA-N 2 1 248.374 1.741 20 0 BDADMP Cc1n[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000716460532 712562984 /nfs/dbraw/zinc/56/29/84/712562984.db2.gz FFTKSMHUTZFNKM-YHWZYXNKSA-N 2 1 248.374 1.741 20 0 BDADMP C[C@H](Nc1cc[nH+]c(N(C)C)n1)C1CC[NH2+]CC1 ZINC000716620124 712567521 /nfs/dbraw/zinc/56/75/21/712567521.db2.gz PGQQKKQLJVCBBT-JTQLQIEISA-N 2 1 249.362 1.343 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925492976 712619251 /nfs/dbraw/zinc/61/92/51/712619251.db2.gz JAOMISTWWJZAJL-AWEZNQCLSA-N 2 1 248.370 1.968 20 0 BDADMP CO[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C ZINC000717984586 712735280 /nfs/dbraw/zinc/73/52/80/712735280.db2.gz MSPWSZALLZWYSW-NDBYEHHHSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000719720942 712822633 /nfs/dbraw/zinc/82/26/33/712822633.db2.gz GUZFSRXKASYOBI-RLAWYHOSSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1CC[N@H+](CCC[NH2+]C2CC2)CCO1 ZINC000719780394 712824820 /nfs/dbraw/zinc/82/48/20/712824820.db2.gz DQAUCCDNEJEGDQ-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP C[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)CCO1 ZINC000719780394 712824822 /nfs/dbraw/zinc/82/48/22/712824822.db2.gz DQAUCCDNEJEGDQ-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000720415089 712841187 /nfs/dbraw/zinc/84/11/87/712841187.db2.gz KODATGCFFGSPCO-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)nn1 ZINC000720568611 712852341 /nfs/dbraw/zinc/85/23/41/712852341.db2.gz USWIBXMWYMVLNL-NOZJJQNGSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)nn1 ZINC000720568611 712852342 /nfs/dbraw/zinc/85/23/42/712852342.db2.gz USWIBXMWYMVLNL-NOZJJQNGSA-N 2 1 234.347 1.263 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cc(C)nnc2C)CC[C@@H]1[NH3+] ZINC000720570098 712852435 /nfs/dbraw/zinc/85/24/35/712852435.db2.gz PUGNHJQUVGXFPK-OCCSQVGLSA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cc(C)nnc2C)CC[C@@H]1[NH3+] ZINC000720570098 712852437 /nfs/dbraw/zinc/85/24/37/712852437.db2.gz PUGNHJQUVGXFPK-OCCSQVGLSA-N 2 1 248.374 1.653 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720643598 712860509 /nfs/dbraw/zinc/86/05/09/712860509.db2.gz BTOAEGSGGNRIAM-FPMFFAJLSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720643598 712860511 /nfs/dbraw/zinc/86/05/11/712860511.db2.gz BTOAEGSGGNRIAM-FPMFFAJLSA-N 2 1 231.343 1.684 20 0 BDADMP Cc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)nc(N)[nH+]1 ZINC000720828647 712869060 /nfs/dbraw/zinc/86/90/60/712869060.db2.gz IXPXFLDOAUIBLA-WDEREUQCSA-N 2 1 247.346 1.040 20 0 BDADMP COC[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208609110 957101375 /nfs/dbraw/zinc/10/13/75/957101375.db2.gz YCUMBRMOQPIPIL-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396704664 957183799 /nfs/dbraw/zinc/18/37/99/957183799.db2.gz OCXZKLILEUXFTG-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cccc(N)[nH+]1 ZINC001164641574 719173773 /nfs/dbraw/zinc/17/37/73/719173773.db2.gz XHXLGYJWJLPQSX-VHSXEESVSA-N 2 1 220.320 1.193 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cccc(N)[nH+]1 ZINC001164641574 719173776 /nfs/dbraw/zinc/17/37/76/719173776.db2.gz XHXLGYJWJLPQSX-VHSXEESVSA-N 2 1 220.320 1.193 20 0 BDADMP Cc1c[nH+]c(N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1N ZINC001164638111 719230228 /nfs/dbraw/zinc/23/02/28/719230228.db2.gz NFYUKROZCKPCQO-WDEREUQCSA-N 2 1 234.347 1.501 20 0 BDADMP Cc1cc(C)[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC001164668559 719371559 /nfs/dbraw/zinc/37/15/59/719371559.db2.gz OLQPVDWUAKGUPD-OLZOCXBDSA-N 2 1 247.342 1.218 20 0 BDADMP Cc1cc(C)[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC001164668559 719371562 /nfs/dbraw/zinc/37/15/62/719371562.db2.gz OLQPVDWUAKGUPD-OLZOCXBDSA-N 2 1 247.342 1.218 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CCCC[NH2+]1 ZINC000398196225 957542748 /nfs/dbraw/zinc/54/27/48/957542748.db2.gz ZILNMUVDQFXNQX-FDYHWXHSSA-N 2 1 226.364 1.674 20 0 BDADMP C[NH+](C)[C@H]1CCCN(c2cccc(N)[nH+]2)C1 ZINC000087731542 721888181 /nfs/dbraw/zinc/88/81/81/721888181.db2.gz NPMBJWGAAMFPGO-JTQLQIEISA-N 2 1 220.320 1.194 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000724152926 958739704 /nfs/dbraw/zinc/73/97/04/958739704.db2.gz FVQBLZKQPKAHJP-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1C ZINC000693587121 958891902 /nfs/dbraw/zinc/89/19/02/958891902.db2.gz YCCZMEJMEIWJST-WYUUTHIRSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@]1(C)O ZINC001207436522 960090843 /nfs/dbraw/zinc/09/08/43/960090843.db2.gz MMBYHJHGQOUPOA-JSGCOSHPSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](O)C2)CC1 ZINC001207480124 960358044 /nfs/dbraw/zinc/35/80/44/960358044.db2.gz UOJMPUXTEJZPFL-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)[nH]n1 ZINC001203075288 960671443 /nfs/dbraw/zinc/67/14/43/960671443.db2.gz CFOHVCAIEQGYMV-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP C[C@@H]1CC(C[N@H+]2CC[C@@](C)([NH3+])C2)C[C@@H](C)O1 ZINC000724417584 961431827 /nfs/dbraw/zinc/43/18/27/961431827.db2.gz LZWGATGDWGEILR-NQBHXWOUSA-N 2 1 226.364 1.613 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001205094000 965723219 /nfs/dbraw/zinc/72/32/19/965723219.db2.gz IKFFBMAXPYCBIH-NSHDSACASA-N 2 1 221.304 1.100 20 0 BDADMP Cc1cc[nH+]c(N2CCC(F)(C[NH3+])CC2)c1 ZINC001165259896 966011162 /nfs/dbraw/zinc/01/11/62/966011162.db2.gz QLNNZLIEFMCEHU-UHFFFAOYSA-N 2 1 223.295 1.657 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000699606670 966005628 /nfs/dbraw/zinc/00/56/28/966005628.db2.gz RYZXXRGCWRAUMK-CHWSQXEVSA-N 2 1 237.347 1.596 20 0 BDADMP CCC[N@H+](CC1CC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204598819 967100193 /nfs/dbraw/zinc/10/01/93/967100193.db2.gz QBRZYAIGRCRNGN-LBPRGKRZSA-N 2 1 226.364 1.833 20 0 BDADMP CCC[N@@H+](CC1CC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204598819 967100199 /nfs/dbraw/zinc/10/01/99/967100199.db2.gz QBRZYAIGRCRNGN-LBPRGKRZSA-N 2 1 226.364 1.833 20 0 BDADMP Cc1cc([C@@H]2CCC[N@H+]2CCCC[NH3+])no1 ZINC001204847462 967195142 /nfs/dbraw/zinc/19/51/42/967195142.db2.gz BHKFEHRZBNWNST-LBPRGKRZSA-N 2 1 223.320 1.859 20 0 BDADMP COC1CC(C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000703840776 967877783 /nfs/dbraw/zinc/87/77/83/967877783.db2.gz FIBPLKIQCZDVDB-UNXYVOJBSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncco2)CCC[C@@H]1C[NH3+] ZINC001206003762 967955323 /nfs/dbraw/zinc/95/53/23/967955323.db2.gz MHWLPEXEWKKADE-GHMZBOCLSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001206037861 968003785 /nfs/dbraw/zinc/00/37/85/968003785.db2.gz YIORQBNFWIZVNZ-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001206037861 968003790 /nfs/dbraw/zinc/00/37/90/968003790.db2.gz YIORQBNFWIZVNZ-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP CCCC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC001252108918 968590525 /nfs/dbraw/zinc/59/05/25/968590525.db2.gz SXRGVEYVDUAZAH-LBPRGKRZSA-N 2 1 225.336 1.332 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+](C)[C@@H]1CCOC1 ZINC001207286464 968716081 /nfs/dbraw/zinc/71/60/81/968716081.db2.gz SDTZMUSKXUZGLM-LLVKDONJSA-N 2 1 214.353 1.295 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)[C@@H]1CCOC1 ZINC001207286464 968716094 /nfs/dbraw/zinc/71/60/94/968716094.db2.gz SDTZMUSKXUZGLM-LLVKDONJSA-N 2 1 214.353 1.295 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)[C@H]1CCCOC1 ZINC001207283658 968716985 /nfs/dbraw/zinc/71/69/85/968716985.db2.gz BTJCMINIQNCMSS-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001207399853 968741172 /nfs/dbraw/zinc/74/11/72/968741172.db2.gz WVZSIQJHULASNU-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP CCC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001252783676 968957288 /nfs/dbraw/zinc/95/72/88/968957288.db2.gz IQVQZERLLXFCLC-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252789036 968966245 /nfs/dbraw/zinc/96/62/45/968966245.db2.gz GYBHPTXQZSREBJ-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001252789036 968966247 /nfs/dbraw/zinc/96/62/47/968966247.db2.gz GYBHPTXQZSREBJ-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001252789036 968966252 /nfs/dbraw/zinc/96/62/52/968966252.db2.gz GYBHPTXQZSREBJ-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001252789974 968971103 /nfs/dbraw/zinc/97/11/03/968971103.db2.gz QFIDZRGAJZDVAL-CYBMUJFWSA-N 2 1 230.396 1.811 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC001208108120 968987751 /nfs/dbraw/zinc/98/77/51/968987751.db2.gz QXKKJCRMIORUAD-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP COC[C@@H]1CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208115288 969005067 /nfs/dbraw/zinc/00/50/67/969005067.db2.gz JIFGJFKHDUIEEG-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP COC(=O)[C@@H](C)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208114411 969008315 /nfs/dbraw/zinc/00/83/15/969008315.db2.gz VIUHBVRMKDTTHB-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP C[NH+](C)CC1(C[NH+]2CC(CO)C2)CCCC1 ZINC001208190620 969122798 /nfs/dbraw/zinc/12/27/98/969122798.db2.gz GZIACLCMYGGYMP-UHFFFAOYSA-N 2 1 226.364 1.033 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCCCC12CC2 ZINC001253394848 969153507 /nfs/dbraw/zinc/15/35/07/969153507.db2.gz SNALUDOZXZYVAS-GFCCVEGCSA-N 2 1 240.391 1.754 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCCCC12CC2 ZINC001253394848 969153511 /nfs/dbraw/zinc/15/35/11/969153511.db2.gz SNALUDOZXZYVAS-GFCCVEGCSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CCC[C@@H]1O ZINC001208608688 969167003 /nfs/dbraw/zinc/16/70/03/969167003.db2.gz VSDCXUYWWTWFSS-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001208607976 969165974 /nfs/dbraw/zinc/16/59/74/969165974.db2.gz DVTSPLTXXBCWRK-UPJWGTAASA-N 2 1 222.376 1.916 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001208607976 969165977 /nfs/dbraw/zinc/16/59/77/969165977.db2.gz DVTSPLTXXBCWRK-UPJWGTAASA-N 2 1 222.376 1.916 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001253547209 969221034 /nfs/dbraw/zinc/22/10/34/969221034.db2.gz FQVUGPZURWGSAY-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP CC[N@H+](CCC[NH+](C)C)Cc1cc[nH]c1 ZINC000289491376 969318650 /nfs/dbraw/zinc/31/86/50/969318650.db2.gz RTMVXBYWBZYIGU-UHFFFAOYSA-N 2 1 209.337 1.788 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc[nH]c1 ZINC000289491376 969318662 /nfs/dbraw/zinc/31/86/62/969318662.db2.gz RTMVXBYWBZYIGU-UHFFFAOYSA-N 2 1 209.337 1.788 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078753 969397779 /nfs/dbraw/zinc/39/77/79/969397779.db2.gz FYQIRSCWRDWBLW-NJMOYASZSA-N 2 1 224.348 1.379 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001169245228 969528743 /nfs/dbraw/zinc/52/87/43/969528743.db2.gz CEPLNNWPVXKBDY-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001169245228 969528746 /nfs/dbraw/zinc/52/87/46/969528746.db2.gz CEPLNNWPVXKBDY-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CNC(C)(C)O2)CC1 ZINC001209845805 969656618 /nfs/dbraw/zinc/65/66/18/969656618.db2.gz MYJWIKJUMDNKGN-NEPJUHHUSA-N 2 1 226.364 1.833 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001209845805 969656626 /nfs/dbraw/zinc/65/66/26/969656626.db2.gz MYJWIKJUMDNKGN-NEPJUHHUSA-N 2 1 226.364 1.833 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001209845805 969656633 /nfs/dbraw/zinc/65/66/33/969656633.db2.gz MYJWIKJUMDNKGN-NEPJUHHUSA-N 2 1 226.364 1.833 20 0 BDADMP CN1CCC[C@@](C)([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254512775 969682230 /nfs/dbraw/zinc/68/22/30/969682230.db2.gz RMAKGTIULXNLCM-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@@H+]1CCC[C@@](C)(N[C@@H]2CCC[NH+](C)CC2)C1 ZINC001254512775 969682238 /nfs/dbraw/zinc/68/22/38/969682238.db2.gz RMAKGTIULXNLCM-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@@](C)(N[C@@H]2CCC[NH+](C)CC2)C1 ZINC001254512775 969682242 /nfs/dbraw/zinc/68/22/42/969682242.db2.gz RMAKGTIULXNLCM-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@@](C)(N[C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254512775 969682249 /nfs/dbraw/zinc/68/22/49/969682249.db2.gz RMAKGTIULXNLCM-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@@](C)(N[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254512775 969682253 /nfs/dbraw/zinc/68/22/53/969682253.db2.gz RMAKGTIULXNLCM-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP CC(C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516473 969688265 /nfs/dbraw/zinc/68/82/65/969688265.db2.gz MTWQBIYIXMTMJL-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@H](C)O1 ZINC001254525739 969704819 /nfs/dbraw/zinc/70/48/19/969704819.db2.gz LSMRUYUEHYVELG-RWMBFGLXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@H](C)O1 ZINC001254525739 969704832 /nfs/dbraw/zinc/70/48/32/969704832.db2.gz LSMRUYUEHYVELG-RWMBFGLXSA-N 2 1 226.364 1.580 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](CCO)C2)CC1 ZINC001254524275 969710567 /nfs/dbraw/zinc/71/05/67/969710567.db2.gz AGABBFWKWYZNQF-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC001254524275 969710575 /nfs/dbraw/zinc/71/05/75/969710575.db2.gz AGABBFWKWYZNQF-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC001254524275 969710580 /nfs/dbraw/zinc/71/05/80/969710580.db2.gz AGABBFWKWYZNQF-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CCCC[C@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001255316591 970088599 /nfs/dbraw/zinc/08/85/99/970088599.db2.gz ZZOWYPWAPWZZCH-JSGCOSHPSA-N 2 1 239.407 1.578 20 0 BDADMP CN1CC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001255411504 970132360 /nfs/dbraw/zinc/13/23/60/970132360.db2.gz GVVKTWQXUIBGDX-AWEZNQCLSA-N 2 1 239.407 1.674 20 0 BDADMP CC[C@@H]1C[C@H](n2c(C)c[nH+]c2CC[NH3+])CCO1 ZINC001170169601 970544665 /nfs/dbraw/zinc/54/46/65/970544665.db2.gz GCJOMVFGVZXFPZ-VXGBXAGGSA-N 2 1 237.347 1.823 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@@H]1CO ZINC001255955916 970584461 /nfs/dbraw/zinc/58/44/61/970584461.db2.gz XQBCWCWUIFBMBY-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001255956242 970592902 /nfs/dbraw/zinc/59/29/02/970592902.db2.gz IXLORQXPINXQOZ-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](OC)C1 ZINC001255957011 970596796 /nfs/dbraw/zinc/59/67/96/970596796.db2.gz OAIDQBJTRNQGQP-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP C[NH+]1CCC([NH2+]CCN2CCC[C@@H](F)C2)CC1 ZINC001256198412 970697058 /nfs/dbraw/zinc/69/70/58/970697058.db2.gz MFWDRPSPJNLGQD-GFCCVEGCSA-N 2 1 243.370 1.104 20 0 BDADMP C[NH+]1CCC([NH+]2CC3(C2)CCOCC3)CC1 ZINC001256207805 970709719 /nfs/dbraw/zinc/70/97/19/970709719.db2.gz QOUMFDVTVFSLKZ-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP CCCC[NH+](C)CCCN[C@H]1CC[N@@H+](CC)C1 ZINC001173350542 975296893 /nfs/dbraw/zinc/29/68/93/975296893.db2.gz PQNZZMDDIFTUPX-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCCN[C@H]1CC[N@H+](CC)C1 ZINC001173350542 975296884 /nfs/dbraw/zinc/29/68/84/975296884.db2.gz PQNZZMDDIFTUPX-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001173367146 975353479 /nfs/dbraw/zinc/35/34/79/975353479.db2.gz GCHBVTGWINRKIO-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001173367146 975353488 /nfs/dbraw/zinc/35/34/88/975353488.db2.gz GCHBVTGWINRKIO-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001173367146 975353498 /nfs/dbraw/zinc/35/34/98/975353498.db2.gz GCHBVTGWINRKIO-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP [NH3+][C@H]1CCCC[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC001333218059 975568881 /nfs/dbraw/zinc/56/88/81/975568881.db2.gz FVMWNFTYRVKJRL-SFYZADRCSA-N 2 1 222.292 1.002 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001335369383 977007769 /nfs/dbraw/zinc/00/77/69/977007769.db2.gz VMUOFBNNZBORRO-KGLIPLIRSA-N 2 1 242.407 1.715 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3ccns3)C2)CC1 ZINC001232192557 977914573 /nfs/dbraw/zinc/91/45/73/977914573.db2.gz OCPLBGDZSLATFU-UHFFFAOYSA-N 2 1 237.372 1.671 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001235734363 979140968 /nfs/dbraw/zinc/14/09/68/979140968.db2.gz BKWLYXUVNYPRLZ-WCQYABFASA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001235734363 979140974 /nfs/dbraw/zinc/14/09/74/979140974.db2.gz BKWLYXUVNYPRLZ-WCQYABFASA-N 2 1 219.332 1.436 20 0 BDADMP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCCC[NH3+] ZINC001235946563 979223035 /nfs/dbraw/zinc/22/30/35/979223035.db2.gz LLZKQABPKKGFGB-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCCO ZINC001235973136 979238213 /nfs/dbraw/zinc/23/82/13/979238213.db2.gz LIKLTWUSTQNNIJ-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCO ZINC001235973136 979238221 /nfs/dbraw/zinc/23/82/21/979238221.db2.gz LIKLTWUSTQNNIJ-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCO ZINC001235973136 979238230 /nfs/dbraw/zinc/23/82/30/979238230.db2.gz LIKLTWUSTQNNIJ-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP NCC[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236109809 979394036 /nfs/dbraw/zinc/39/40/36/979394036.db2.gz XAJGCEQHZJUZBQ-PHIMTYICSA-N 2 1 202.301 1.532 20 0 BDADMP NCC[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001236109809 979394046 /nfs/dbraw/zinc/39/40/46/979394046.db2.gz XAJGCEQHZJUZBQ-PHIMTYICSA-N 2 1 202.301 1.532 20 0 BDADMP CCNCC[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549789 979633826 /nfs/dbraw/zinc/63/38/26/979633826.db2.gz CJFHUMJYQHBHHE-HDJSIYSDSA-N 2 1 241.423 1.824 20 0 BDADMP CCNCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549789 979633837 /nfs/dbraw/zinc/63/38/37/979633837.db2.gz CJFHUMJYQHBHHE-HDJSIYSDSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)C[N@H+](C[C@@H]1CCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549753 979635320 /nfs/dbraw/zinc/63/53/20/979635320.db2.gz ATIJQSGEJDJDLN-IHRRRGAJSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)C[N@@H+](C[C@@H]1CCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549753 979635325 /nfs/dbraw/zinc/63/53/25/979635325.db2.gz ATIJQSGEJDJDLN-IHRRRGAJSA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CC1COC(C)(C)OC1 ZINC001236861169 979767137 /nfs/dbraw/zinc/76/71/37/979767137.db2.gz UXNRVLURIQDPDK-NSHDSACASA-N 2 1 230.352 1.055 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001237249689 979855652 /nfs/dbraw/zinc/85/56/52/979855652.db2.gz QRECZNZFUSZZBB-OLZOCXBDSA-N 2 1 239.407 1.672 20 0 BDADMP c1cc2c(c(C3=CC[NH2+]CC3)[nH+]1)CCN2 ZINC001240464943 981394133 /nfs/dbraw/zinc/39/41/33/981394133.db2.gz DREUPYINYFPYNO-UHFFFAOYSA-N 2 1 201.273 1.426 20 0 BDADMP COCOCCC[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205804318 982561241 /nfs/dbraw/zinc/56/12/41/982561241.db2.gz MTGRVLDAXYLVLC-RYUDHWBXSA-N 2 1 230.352 1.056 20 0 BDADMP COCOCCC[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205804318 982561251 /nfs/dbraw/zinc/56/12/51/982561251.db2.gz MTGRVLDAXYLVLC-RYUDHWBXSA-N 2 1 230.352 1.056 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc[nH]c1 ZINC000281344808 983324275 /nfs/dbraw/zinc/32/42/75/983324275.db2.gz SYMQNTLAKQNCQV-UHFFFAOYSA-N 2 1 221.348 1.932 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc[nH]c1 ZINC000281344808 983324283 /nfs/dbraw/zinc/32/42/83/983324283.db2.gz SYMQNTLAKQNCQV-UHFFFAOYSA-N 2 1 221.348 1.932 20 0 BDADMP CC[C@H](CC(C)C)[NH2+]CCC[N@@H+](C)CCO ZINC001172399929 974761817 /nfs/dbraw/zinc/76/18/17/974761817.db2.gz IKKOLAXGSYMUJA-CYBMUJFWSA-N 2 1 230.396 1.715 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2)CCC[C@@H]1C[NH3+] ZINC001246569693 972824613 /nfs/dbraw/zinc/82/46/13/972824613.db2.gz RXMVFMXUZAWVDG-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580422 972925132 /nfs/dbraw/zinc/92/51/32/972925132.db2.gz GNZKRAHJJXCWBR-JHJVBQTASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580422 972925142 /nfs/dbraw/zinc/92/51/42/972925142.db2.gz GNZKRAHJJXCWBR-JHJVBQTASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580430 972930361 /nfs/dbraw/zinc/93/03/61/972930361.db2.gz GNZKRAHJJXCWBR-UPJWGTAASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CCO1 ZINC001246584216 972954432 /nfs/dbraw/zinc/95/44/32/972954432.db2.gz TWZWUSTYZDPACN-AVGNSLFASA-N 2 1 226.364 1.615 20 0 BDADMP Cc1nc(C[NH+]2CCC(F)(C[NH3+])CC2)cs1 ZINC001222533361 972533439 /nfs/dbraw/zinc/53/34/39/972533439.db2.gz VIUAZTLRLQCPJH-UHFFFAOYSA-N 2 1 243.351 1.714 20 0 BDADMP COC1(C[NH2+]CCn2cc[nH+]c2C)CCC1 ZINC000234713050 973715793 /nfs/dbraw/zinc/71/57/93/973715793.db2.gz TYWDIGVQAOJBAZ-UHFFFAOYSA-N 2 1 223.320 1.350 20 0 BDADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCOC1 ZINC000402708849 970838435 /nfs/dbraw/zinc/83/84/35/970838435.db2.gz RMBZBVLJEMFYJU-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP CCOC1CCC([N@@H+](C)C[C@H](C)C[NH3+])CC1 ZINC001256432240 970837632 /nfs/dbraw/zinc/83/76/32/970837632.db2.gz VEIGZZFQNKONRD-PNESKVBLSA-N 2 1 228.380 1.861 20 0 BDADMP COC[C@@H]1CC[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256577349 970865245 /nfs/dbraw/zinc/86/52/45/970865245.db2.gz JHRWZWSUGIVPGX-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@@H]1CC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256577349 970865248 /nfs/dbraw/zinc/86/52/48/970865248.db2.gz JHRWZWSUGIVPGX-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1cnc(CC[NH3+])n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614417 970879012 /nfs/dbraw/zinc/87/90/12/970879012.db2.gz RGAKAZVNNBHJHV-FUNVUKJBSA-N 2 1 248.374 1.490 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256622928 970887564 /nfs/dbraw/zinc/88/75/64/970887564.db2.gz MLVATAGNAAVGCF-ZBBUEOHVSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256622928 970887572 /nfs/dbraw/zinc/88/75/72/970887572.db2.gz MLVATAGNAAVGCF-ZBBUEOHVSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256622928 970887573 /nfs/dbraw/zinc/88/75/73/970887573.db2.gz MLVATAGNAAVGCF-ZBBUEOHVSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256622928 970887576 /nfs/dbraw/zinc/88/75/76/970887576.db2.gz MLVATAGNAAVGCF-ZBBUEOHVSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256624366 970890754 /nfs/dbraw/zinc/89/07/54/970890754.db2.gz XPKOHCMWHSJTIP-FKJOKYEKSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256624366 970890761 /nfs/dbraw/zinc/89/07/61/970890761.db2.gz XPKOHCMWHSJTIP-FKJOKYEKSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256624366 970890765 /nfs/dbraw/zinc/89/07/65/970890765.db2.gz XPKOHCMWHSJTIP-FKJOKYEKSA-N 2 1 208.349 1.953 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1C ZINC000234843714 973775295 /nfs/dbraw/zinc/77/52/95/973775295.db2.gz FIPIVYQXKZEJCS-QNWHQSFQSA-N 2 1 226.364 1.199 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403480234 970950863 /nfs/dbraw/zinc/95/08/63/970950863.db2.gz RNDFRTHGMXDRLQ-NWBUJAPZSA-N 2 1 208.349 1.905 20 0 BDADMP CC1([NH3+])CN([C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256907859 971020048 /nfs/dbraw/zinc/02/00/48/971020048.db2.gz GMOUGKKIWQUBQM-CYBMUJFWSA-N 2 1 237.391 1.426 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)[C@H]2CCOC2)CC1 ZINC001257216778 971125117 /nfs/dbraw/zinc/12/51/17/971125117.db2.gz ILBILFYTSLQBFG-ZDUSSCGKSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)[C@H]2CCOC2)CC1 ZINC001257216778 971125122 /nfs/dbraw/zinc/12/51/22/971125122.db2.gz ILBILFYTSLQBFG-ZDUSSCGKSA-N 2 1 226.364 1.580 20 0 BDADMP CCO[C@@H]1CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257224282 971125383 /nfs/dbraw/zinc/12/53/83/971125383.db2.gz WFUMKNWJINWTAA-CQSZACIVSA-N 2 1 240.391 1.970 20 0 BDADMP CCO[C@@H]1CC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257224282 971125394 /nfs/dbraw/zinc/12/53/94/971125394.db2.gz WFUMKNWJINWTAA-CQSZACIVSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC001257214348 971126104 /nfs/dbraw/zinc/12/61/04/971126104.db2.gz BTNOXVMMUAPXGR-OCCSQVGLSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC001257214348 971126108 /nfs/dbraw/zinc/12/61/08/971126108.db2.gz BTNOXVMMUAPXGR-OCCSQVGLSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001257208555 971127028 /nfs/dbraw/zinc/12/70/28/971127028.db2.gz MTQLTVHHSGDIAM-QWHCGFSZSA-N 2 1 244.354 1.576 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC001257214349 971129970 /nfs/dbraw/zinc/12/99/70/971129970.db2.gz BTNOXVMMUAPXGR-TZMCWYRMSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC001257214349 971129974 /nfs/dbraw/zinc/12/99/74/971129974.db2.gz BTNOXVMMUAPXGR-TZMCWYRMSA-N 2 1 240.391 1.704 20 0 BDADMP COC(C)(C)C[N@@H+](C)CCC[NH2+]C1CC1 ZINC000404332667 971157204 /nfs/dbraw/zinc/15/72/04/971157204.db2.gz DMGRICDZILGUHI-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@@]1(C[NH+]2CCC(F)(F)CC2)CC[NH2+]C1 ZINC000405048346 971189601 /nfs/dbraw/zinc/18/96/01/971189601.db2.gz GJJSKSAMHOAILO-SNVBAGLBSA-N 2 1 218.291 1.717 20 0 BDADMP C[C@]1(C[NH+]2CCC(F)(F)CC2)CC[NH2+]C1 ZINC000405048345 971190501 /nfs/dbraw/zinc/19/05/01/971190501.db2.gz GJJSKSAMHOAILO-JTQLQIEISA-N 2 1 218.291 1.717 20 0 BDADMP CCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001257315217 971215049 /nfs/dbraw/zinc/21/50/49/971215049.db2.gz WKLKFJUWOFVFIA-LLVKDONJSA-N 2 1 202.342 1.079 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405237161 971215138 /nfs/dbraw/zinc/21/51/38/971215138.db2.gz UDAKSFYQABOKDE-OLZOCXBDSA-N 2 1 248.374 1.396 20 0 BDADMP C[C@@H](Nc1[nH+]ccc2cc[nH]c21)[C@@H]1C[NH2+]CCO1 ZINC001170571442 971215318 /nfs/dbraw/zinc/21/53/18/971215318.db2.gz MOAUOYGCSYWBGZ-KOLCDFICSA-N 2 1 246.314 1.352 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000405253899 971219628 /nfs/dbraw/zinc/21/96/28/971219628.db2.gz LFKABFIJVCEGAC-CHWSQXEVSA-N 2 1 231.343 1.750 20 0 BDADMP C[C@@H](Nc1cccn2cc[nH+]c12)[C@@H]1C[NH2+]CCO1 ZINC001170571810 971221615 /nfs/dbraw/zinc/22/16/15/971221615.db2.gz ZYANHAJGHZVQEV-PWSUYJOCSA-N 2 1 246.314 1.123 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccoc2)C12CCC2 ZINC000405285062 971226166 /nfs/dbraw/zinc/22/61/66/971226166.db2.gz DJJDYABUHIBWRO-MNOVXSKESA-N 2 1 206.289 1.639 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cn[nH]c1 ZINC000405265754 971227481 /nfs/dbraw/zinc/22/74/81/971227481.db2.gz LQQYIOYLCUOJNX-JMJZKYOTSA-N 2 1 220.320 1.330 20 0 BDADMP Cc1c(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cnn1C ZINC000405306456 971231405 /nfs/dbraw/zinc/23/14/05/971231405.db2.gz KYZAJNOJBXWPLB-NWDGAFQWSA-N 2 1 234.347 1.088 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccco2)C12CCC2 ZINC000405298102 971233278 /nfs/dbraw/zinc/23/32/78/971233278.db2.gz HDNZKNBEVKCAGI-QWRGUYRKSA-N 2 1 206.289 1.639 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000405537257 971271191 /nfs/dbraw/zinc/27/11/91/971271191.db2.gz BSZWMRSQKWXHIP-DMDPSCGWSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000405654978 971287176 /nfs/dbraw/zinc/28/71/76/971287176.db2.gz NYTZQGZYAYRWLC-GMXVVIOVSA-N 2 1 224.348 1.261 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CO[C@H]1C ZINC000405661031 971290782 /nfs/dbraw/zinc/29/07/82/971290782.db2.gz NZFAXFLNJHKVMC-MNXVOIDGSA-N 2 1 238.375 1.484 20 0 BDADMP CC(C)CCc1nnc([C@H]([NH3+])CCC[NH3+])o1 ZINC001217694693 971331073 /nfs/dbraw/zinc/33/10/73/971331073.db2.gz DOZGPFIIRICPRY-SECBINFHSA-N 2 1 226.324 1.397 20 0 BDADMP C[N@@H+](CCN1CC[NH+](C)CC1)C1CCCCC1 ZINC001257459266 971379239 /nfs/dbraw/zinc/37/92/39/971379239.db2.gz PJQJDZJRHICZAI-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP C[N@H+]1CCC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217829037 971422682 /nfs/dbraw/zinc/42/26/82/971422682.db2.gz DUVFLWFYKBGLAY-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCCSC1 ZINC001257667691 971470505 /nfs/dbraw/zinc/47/05/05/971470505.db2.gz HZUJXVPHIMRXIC-SNVBAGLBSA-N 2 1 225.361 1.843 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[NH3+] ZINC001217938830 971539793 /nfs/dbraw/zinc/53/97/93/971539793.db2.gz JOOTXLAIABLWLU-ZFWWWQNUSA-N 2 1 248.370 1.872 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC001258011118 971551124 /nfs/dbraw/zinc/55/11/24/971551124.db2.gz ISWFPDWZEUTCTC-GXTWGEPZSA-N 2 1 240.391 1.419 20 0 BDADMP COC[C@H]1CC[N@@H+]1C1CC[NH+](CC(C)C)CC1 ZINC001258020609 971558832 /nfs/dbraw/zinc/55/88/32/971558832.db2.gz WMVGFDOCXQIACR-CQSZACIVSA-N 2 1 240.391 1.828 20 0 BDADMP COC[C@H]1CC[N@H+]1C1CC[NH+](CC(C)C)CC1 ZINC001258020609 971558843 /nfs/dbraw/zinc/55/88/43/971558843.db2.gz WMVGFDOCXQIACR-CQSZACIVSA-N 2 1 240.391 1.828 20 0 BDADMP N[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC001206153250 974254438 /nfs/dbraw/zinc/25/44/38/974254438.db2.gz CJMQIIZDJKJLEQ-YNEHKIRRSA-N 2 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC001206153250 974254453 /nfs/dbraw/zinc/25/44/53/974254453.db2.gz CJMQIIZDJKJLEQ-YNEHKIRRSA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC001206153250 974254467 /nfs/dbraw/zinc/25/44/67/974254467.db2.gz CJMQIIZDJKJLEQ-YNEHKIRRSA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+]CCc1ccc(O[C@H]2C[NH2+]CC2(F)F)cc1 ZINC001218231059 971643075 /nfs/dbraw/zinc/64/30/75/971643075.db2.gz HKFJZMRMEPVCKP-NSHDSACASA-N 2 1 242.269 1.174 20 0 BDADMP [NH3+]Cc1ccccc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218235191 971645355 /nfs/dbraw/zinc/64/53/55/971645355.db2.gz JLJNAWROKICVSC-SNVBAGLBSA-N 2 1 228.242 1.131 20 0 BDADMP CC(C)CC[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206154260 974323905 /nfs/dbraw/zinc/32/39/05/974323905.db2.gz ICLYVAGYKXUPDA-WDEREUQCSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154260 974323917 /nfs/dbraw/zinc/32/39/17/974323917.db2.gz ICLYVAGYKXUPDA-WDEREUQCSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154260 974323930 /nfs/dbraw/zinc/32/39/30/974323930.db2.gz ICLYVAGYKXUPDA-WDEREUQCSA-N 2 1 202.317 1.794 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001206156409 974337479 /nfs/dbraw/zinc/33/74/79/974337479.db2.gz QOJBXOQDGKMBQV-RWMBFGLXSA-N 2 1 243.370 1.089 20 0 BDADMP COCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099093 974335654 /nfs/dbraw/zinc/33/56/54/974335654.db2.gz FFXMQZAUIAIFLW-CNDDSTCGSA-N 2 1 212.337 1.238 20 0 BDADMP C[NH+](C)Cc1ncccc1O[C@@H]1CCC[NH2+]C1 ZINC001218279038 971668236 /nfs/dbraw/zinc/66/82/36/971668236.db2.gz RAOBHQVCZYHZKT-LLVKDONJSA-N 2 1 235.331 1.274 20 0 BDADMP C[C@@H](CO)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104940 974365672 /nfs/dbraw/zinc/36/56/72/974365672.db2.gz GUXOYGLZGFKDEU-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163479 974490378 /nfs/dbraw/zinc/49/03/78/974490378.db2.gz CKOFOJUJEYXHPT-VXGBXAGGSA-N 2 1 241.310 1.553 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163479 974490382 /nfs/dbraw/zinc/49/03/82/974490382.db2.gz CKOFOJUJEYXHPT-VXGBXAGGSA-N 2 1 241.310 1.553 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001218483540 971829939 /nfs/dbraw/zinc/82/99/39/971829939.db2.gz RBXVMZPYCNSSSD-YGRLFVJLSA-N 2 1 248.326 1.205 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCCOCC1 ZINC001170804842 971854689 /nfs/dbraw/zinc/85/46/89/971854689.db2.gz PWCUKUPZZPZCKE-NSHDSACASA-N 2 1 223.320 1.516 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCOCC1 ZINC001170827185 971927092 /nfs/dbraw/zinc/92/70/92/971927092.db2.gz JKCQZNCDYNJHSP-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP Cc1[nH+]ccn1-c1ccc(NCC[C@@H](C)[NH3+])nn1 ZINC001170889510 972037476 /nfs/dbraw/zinc/03/74/76/972037476.db2.gz FYGVRACFDAHHOD-SECBINFHSA-N 2 1 246.318 1.120 20 0 BDADMP C[C@@H]([NH3+])CCNc1[nH+]ccc2ccn(C)c21 ZINC001170890267 972038476 /nfs/dbraw/zinc/03/84/76/972038476.db2.gz UQOJIDBTAXLNIZ-SECBINFHSA-N 2 1 218.304 1.723 20 0 BDADMP C[C@@H]([NH3+])CCNc1cccn2cc[nH+]c12 ZINC001170889737 972040555 /nfs/dbraw/zinc/04/05/55/972040555.db2.gz LITQVQGNMNEUCZ-SECBINFHSA-N 2 1 204.277 1.484 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246019095 972120788 /nfs/dbraw/zinc/12/07/88/972120788.db2.gz CTUUMVTZRJTPFJ-GXTWGEPZSA-N 2 1 242.407 1.844 20 0 BDADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC001246081540 972136548 /nfs/dbraw/zinc/13/65/48/972136548.db2.gz NEVAHOMQTCRZOQ-MBYGNEARSA-N 2 1 236.315 1.186 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246090325 972143369 /nfs/dbraw/zinc/14/33/69/972143369.db2.gz WHSSQZNXHROGPA-RQJABVFESA-N 3 1 239.407 1.623 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246105165 972169631 /nfs/dbraw/zinc/16/96/31/972169631.db2.gz MLKNLNPQOWKMRU-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C1CC12C[NH2+]C[C@@H]2N[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131426 972187486 /nfs/dbraw/zinc/18/74/86/972187486.db2.gz JWDQGGLXZYBEQF-OLZOCXBDSA-N 2 1 249.402 1.250 20 0 BDADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c2ccccc21 ZINC001220331885 972211976 /nfs/dbraw/zinc/21/19/76/972211976.db2.gz DZIUNGHKODLZFD-ICCXJUOJSA-N 2 1 247.342 1.027 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246176549 972208540 /nfs/dbraw/zinc/20/85/40/972208540.db2.gz LOWOKOHOHNQILP-RYUDHWBXSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@H]1CC[C@H](NC2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246176549 972208549 /nfs/dbraw/zinc/20/85/49/972208549.db2.gz LOWOKOHOHNQILP-RYUDHWBXSA-N 2 1 237.391 1.249 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246199152 972214360 /nfs/dbraw/zinc/21/43/60/972214360.db2.gz JDNRTJROLKEMOC-XQQFMLRXSA-N 3 1 225.380 1.106 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208610184 957087797 /nfs/dbraw/zinc/08/77/97/957087797.db2.gz ZNSIPDBZRLWVFJ-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CCN(C[C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001208612520 957097111 /nfs/dbraw/zinc/09/71/11/957097111.db2.gz BIIRRFQHURZFDU-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCN(C[C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC001208612520 957097124 /nfs/dbraw/zinc/09/71/24/957097124.db2.gz BIIRRFQHURZFDU-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCN(C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC001208612520 957097143 /nfs/dbraw/zinc/09/71/43/957097143.db2.gz BIIRRFQHURZFDU-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP COc1cc(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccn1 ZINC001246237497 972243978 /nfs/dbraw/zinc/24/39/78/972243978.db2.gz CBJCPKIYPFKUFP-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2(c3cccnc3)CC2)CC[NH2+]1 ZINC001246300742 972262538 /nfs/dbraw/zinc/26/25/38/972262538.db2.gz SHCQOWPXIAGAHR-YPMHNXCESA-N 2 1 231.343 1.801 20 0 BDADMP CCOC(C)(C)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000705653228 957400219 /nfs/dbraw/zinc/40/02/19/957400219.db2.gz YRADGGXFFAGYTR-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209422863 957439278 /nfs/dbraw/zinc/43/92/78/957439278.db2.gz YZQJJEVCIAJYBL-MNOVXSKESA-N 2 1 205.305 1.397 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209422863 957439284 /nfs/dbraw/zinc/43/92/84/957439284.db2.gz YZQJJEVCIAJYBL-MNOVXSKESA-N 2 1 205.305 1.397 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCCC(C)(C)CO)CC1 ZINC000393370041 957449757 /nfs/dbraw/zinc/44/97/57/957449757.db2.gz DSSQQYQBMPSTAC-CYBMUJFWSA-N 2 1 242.407 1.859 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001209730290 957529533 /nfs/dbraw/zinc/52/95/33/957529533.db2.gz FMPMXYFJPOFZFE-GXSJLCMTSA-N 2 1 203.289 1.478 20 0 BDADMP Nc1ccncc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001209730290 957529521 /nfs/dbraw/zinc/52/95/21/957529521.db2.gz FMPMXYFJPOFZFE-GXSJLCMTSA-N 2 1 203.289 1.478 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001209730290 957529526 /nfs/dbraw/zinc/52/95/26/957529526.db2.gz FMPMXYFJPOFZFE-GXSJLCMTSA-N 2 1 203.289 1.478 20 0 BDADMP c1ccc2c(c1)COC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246320237 972276985 /nfs/dbraw/zinc/27/69/85/972276985.db2.gz PPRPGOHYTOSULN-CQSZACIVSA-N 2 1 232.327 1.600 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001246320654 972279250 /nfs/dbraw/zinc/27/92/50/972279250.db2.gz ZXPXTNBCTAQPGI-GUBZILKMSA-N 2 1 210.321 1.071 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1N[C@H]1CC[N@H+](C)C1 ZINC001167275738 957622167 /nfs/dbraw/zinc/62/21/67/957622167.db2.gz WKUJUZXXEWNPBM-NSHDSACASA-N 2 1 234.347 1.572 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1N[C@H]1CC[N@@H+](C)C1 ZINC001167275738 957622171 /nfs/dbraw/zinc/62/21/71/957622171.db2.gz WKUJUZXXEWNPBM-NSHDSACASA-N 2 1 234.347 1.572 20 0 BDADMP C[N@H+]1CC[C@H](Nc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001167278227 957624658 /nfs/dbraw/zinc/62/46/58/957624658.db2.gz COJBDJNZBKVREA-VIFPVBQESA-N 2 1 231.303 1.261 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000713405701 957909333 /nfs/dbraw/zinc/90/93/33/957909333.db2.gz NFNPKWQFBRBRFZ-RKDXNWHRSA-N 2 1 240.269 1.582 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+](CCCOC(F)(F)F)C1 ZINC000713398443 957910904 /nfs/dbraw/zinc/91/09/04/957910904.db2.gz KROYSDAAILCNNA-SECBINFHSA-N 2 1 240.269 1.584 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCCOC(F)(F)F)C1 ZINC000713398443 957910916 /nfs/dbraw/zinc/91/09/16/957910916.db2.gz KROYSDAAILCNNA-SECBINFHSA-N 2 1 240.269 1.584 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257750972 958352730 /nfs/dbraw/zinc/35/27/30/958352730.db2.gz UVSBBTGEYYVIHD-VXGBXAGGSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCCCCO)C[NH2+]1 ZINC000399038310 958490066 /nfs/dbraw/zinc/49/00/66/958490066.db2.gz PZKOWLSIMPCCAP-VXGBXAGGSA-N 2 1 214.353 1.269 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CCOCC3)C[NH2+]1 ZINC000399028365 958494478 /nfs/dbraw/zinc/49/44/78/958494478.db2.gz KSMUDXBNLLGKMN-WOPDTQHZSA-N 2 1 224.348 1.286 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486096 972353046 /nfs/dbraw/zinc/35/30/46/972353046.db2.gz CSNOMQURKIPJLE-MELADBBJSA-N 2 1 241.423 1.598 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCC(C)(C)CO)C[NH2+]1 ZINC000399119681 958517328 /nfs/dbraw/zinc/51/73/28/958517328.db2.gz OIDZNQHKSRZCQO-NEPJUHHUSA-N 2 1 228.380 1.515 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)CO)C[NH2+]1 ZINC000399119683 958518276 /nfs/dbraw/zinc/51/82/76/958518276.db2.gz OIDZNQHKSRZCQO-NWDGAFQWSA-N 2 1 228.380 1.515 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000724152931 958738447 /nfs/dbraw/zinc/73/84/47/958738447.db2.gz FVQBLZKQPKAHJP-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+](Cc1nccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693585231 958888668 /nfs/dbraw/zinc/88/86/68/958888668.db2.gz JVHZQHCJDYYBRD-DTORHVGOSA-N 2 1 211.334 1.312 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693587082 958892387 /nfs/dbraw/zinc/89/23/87/958892387.db2.gz XVFCLMOXIPWRMR-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)C[NH2+]1 ZINC000708244689 959262799 /nfs/dbraw/zinc/26/27/99/959262799.db2.gz VBPQPXBOERSBMS-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)C[NH2+]1 ZINC000708244689 959262815 /nfs/dbraw/zinc/26/28/15/959262815.db2.gz VBPQPXBOERSBMS-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693880236 959457541 /nfs/dbraw/zinc/45/75/41/959457541.db2.gz WABPEDCATMTWRP-AVGNSLFASA-N 2 1 239.407 1.589 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000708503748 959525626 /nfs/dbraw/zinc/52/56/26/959525626.db2.gz KUWVNMXKWFIVFK-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP FC1(F)C[NH2+]CC[C@@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217780678 959592033 /nfs/dbraw/zinc/59/20/33/959592033.db2.gz DVNOLCSVSONULB-QWRGUYRKSA-N 2 1 248.317 1.390 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000309720762 959689348 /nfs/dbraw/zinc/68/93/48/959689348.db2.gz MDXDRYOGCISULK-CQSZACIVSA-N 2 1 248.370 1.874 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001207399083 959726033 /nfs/dbraw/zinc/72/60/33/959726033.db2.gz YVZMROFQCZSJFK-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP COC(=O)C1CCC([N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001246531685 972454512 /nfs/dbraw/zinc/45/45/12/972454512.db2.gz SAJSNZWNTKDRPL-GCZXYKMCSA-N 2 1 240.347 1.141 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724826613 959797055 /nfs/dbraw/zinc/79/70/55/959797055.db2.gz YBDPNDGXXKDWEA-CHWSQXEVSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1cnc(C[NH+]2CCC(CC[NH3+])CC2)nc1 ZINC000692491609 960028145 /nfs/dbraw/zinc/02/81/45/960028145.db2.gz KZOYOCXPZAITBP-UHFFFAOYSA-N 2 1 234.347 1.346 20 0 BDADMP O[C@]1(CF)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436799 960091547 /nfs/dbraw/zinc/09/15/47/960091547.db2.gz PXYXWNOPQMJQIG-CYBMUJFWSA-N 2 1 244.354 1.173 20 0 BDADMP O=C1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC001207442898 960132362 /nfs/dbraw/zinc/13/23/62/960132362.db2.gz IIOZDHYAHTZYJL-QWHCGFSZSA-N 2 1 236.359 1.287 20 0 BDADMP C[NH2+]CCNc1cc2[nH+]c[nH]c2cc1F ZINC001167726458 960248054 /nfs/dbraw/zinc/24/80/54/960248054.db2.gz ZEWNENQXVDCVGP-UHFFFAOYSA-N 2 1 208.240 1.333 20 0 BDADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140709730 960528290 /nfs/dbraw/zinc/52/82/90/960528290.db2.gz BHYPDUWJSAZRPI-STQMWFEESA-N 2 1 219.332 1.398 20 0 BDADMP CC[N@H+](CCC(N)=O)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804018 960594998 /nfs/dbraw/zinc/59/49/98/960594998.db2.gz ZQKCEZFLIGUYJA-UHFFFAOYSA-N 2 1 246.314 1.260 20 0 BDADMP CC[N@@H+](CCC(N)=O)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804018 960595012 /nfs/dbraw/zinc/59/50/12/960595012.db2.gz ZQKCEZFLIGUYJA-UHFFFAOYSA-N 2 1 246.314 1.260 20 0 BDADMP CC(C)(O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925688500 960608515 /nfs/dbraw/zinc/60/85/15/960608515.db2.gz CWCDIHHQRUGDHP-NSHDSACASA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](CCO)Cc2ccccc2)CC[NH2+]1 ZINC000709478727 960619771 /nfs/dbraw/zinc/61/97/71/960619771.db2.gz ADVRMIHSSBGIKA-HIFRSBDPSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487806 960620428 /nfs/dbraw/zinc/62/04/28/960620428.db2.gz CNGKADBKLQUOKH-YIPFDTCYSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487806 960620439 /nfs/dbraw/zinc/62/04/39/960620439.db2.gz CNGKADBKLQUOKH-YIPFDTCYSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487806 960620447 /nfs/dbraw/zinc/62/04/47/960620447.db2.gz CNGKADBKLQUOKH-YIPFDTCYSA-N 3 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487806 960620453 /nfs/dbraw/zinc/62/04/53/960620453.db2.gz CNGKADBKLQUOKH-YIPFDTCYSA-N 3 1 237.391 1.199 20 0 BDADMP CC[N@H+]1CC[C@H](OC2CC[NH+](C)CC2)C1 ZINC001222504348 972527839 /nfs/dbraw/zinc/52/78/39/972527839.db2.gz RIFOEHWBQGPHKH-LBPRGKRZSA-N 2 1 212.337 1.191 20 0 BDADMP Cc1nccnc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001140938275 960723197 /nfs/dbraw/zinc/72/31/97/960723197.db2.gz HSOMKUAFOPLPHT-UHFFFAOYSA-N 2 1 246.358 1.313 20 0 BDADMP c1n[nH]c2c1[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423487681 960883442 /nfs/dbraw/zinc/88/34/42/960883442.db2.gz UNXHTFODMZRDPS-DGCLKSJQSA-N 2 1 248.374 1.909 20 0 BDADMP C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CCC([NH3+])CC1 ZINC001167901185 961610790 /nfs/dbraw/zinc/61/07/90/961610790.db2.gz CNUQVYQEUPHRDN-HKLPJWPXSA-N 2 1 208.349 1.987 20 0 BDADMP Cc1cc(F)ncc1NC(=[NH2+])SCC[NH3+] ZINC001167912219 961819680 /nfs/dbraw/zinc/81/96/80/961819680.db2.gz BHDHEMPBTFGPAT-UHFFFAOYSA-N 2 1 228.296 1.568 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167923417 961983838 /nfs/dbraw/zinc/98/38/38/961983838.db2.gz CUZOOMUZBGNURK-URLYPYJESA-N 2 1 205.305 1.745 20 0 BDADMP CC[C@H]([NH3+])C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727711 962075301 /nfs/dbraw/zinc/07/53/01/962075301.db2.gz LCPMPDANNFBGPZ-LBPRGKRZSA-N 3 1 225.380 1.189 20 0 BDADMP CC[C@H](N)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727711 962075320 /nfs/dbraw/zinc/07/53/20/962075320.db2.gz LCPMPDANNFBGPZ-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP CC[C@H](N)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727711 962075348 /nfs/dbraw/zinc/07/53/48/962075348.db2.gz LCPMPDANNFBGPZ-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP CC[C@H]([NH3+])CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204727711 962075363 /nfs/dbraw/zinc/07/53/63/962075363.db2.gz LCPMPDANNFBGPZ-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)ccn2)C1 ZINC001206632662 962139863 /nfs/dbraw/zinc/13/98/63/962139863.db2.gz NHJUFMHEQDWBTI-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)ccn2)C1 ZINC001206632662 962139876 /nfs/dbraw/zinc/13/98/76/962139876.db2.gz NHJUFMHEQDWBTI-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]C(C)C ZINC001482162058 962188748 /nfs/dbraw/zinc/18/87/48/962188748.db2.gz PAAZTKITOPNLLS-GFCCVEGCSA-N 2 1 243.395 1.079 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3n2CCC3)C1 ZINC001206648688 962607267 /nfs/dbraw/zinc/60/72/67/962607267.db2.gz OKKICQKJFXAQKT-ZDUSSCGKSA-N 2 1 247.386 1.995 20 0 BDADMP FC[C@@H]1CCC[N@@H+]([C@H]2CCC[NH2+]C2)C1 ZINC000711443579 962706004 /nfs/dbraw/zinc/70/60/04/962706004.db2.gz NAPDFNBMCUCBPN-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP FC[C@@H]1CCC[N@H+]([C@H]2CCC[NH2+]C2)C1 ZINC000711443579 962706023 /nfs/dbraw/zinc/70/60/23/962706023.db2.gz NAPDFNBMCUCBPN-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167956393 962808035 /nfs/dbraw/zinc/80/80/35/962808035.db2.gz PIUJYILRBIJBPO-XHJNMGKDSA-N 2 1 220.360 1.668 20 0 BDADMP Nc1ccc[nH+]c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155114893 962979260 /nfs/dbraw/zinc/97/92/60/962979260.db2.gz GYOQNWPXHJZBBG-LBPRGKRZSA-N 2 1 238.310 1.558 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N(C)C3CC[NH2+]CC3)c12 ZINC001156169657 963270827 /nfs/dbraw/zinc/27/08/27/963270827.db2.gz LBVDXHKJFSVFFH-UHFFFAOYSA-N 2 1 245.330 1.455 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2cc(N)cc[nH+]2)C1 ZINC001156381283 963330681 /nfs/dbraw/zinc/33/06/81/963330681.db2.gz PVQFWOCHJNOVQJ-LLVKDONJSA-N 2 1 234.347 1.808 20 0 BDADMP c1cc2c(cc[nH+]c2N2CC[N@@H+]3CC[C@@H]3C2)[nH]1 ZINC001158426459 963869537 /nfs/dbraw/zinc/86/95/37/963869537.db2.gz ZYLSRZXDBXNZPB-SNVBAGLBSA-N 2 1 228.299 1.457 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCOC1 ZINC000822123836 963939260 /nfs/dbraw/zinc/93/92/60/963939260.db2.gz GDCLUWSUZHSNNQ-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP Nc1ccc(NC=C2CC[NH2+]CC2)c[nH+]1 ZINC001159281417 964052704 /nfs/dbraw/zinc/05/27/04/964052704.db2.gz YJRNMMRGDBIWOM-UHFFFAOYSA-N 2 1 204.277 1.343 20 0 BDADMP N[C@@H](CCC[NH3+])Nc1cc(N2CCCC2)cc[nH+]1 ZINC001159786580 964199182 /nfs/dbraw/zinc/19/91/82/964199182.db2.gz DZBOQCLLULBAPM-GFCCVEGCSA-N 2 1 249.362 1.117 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000697562367 964322794 /nfs/dbraw/zinc/32/27/94/964322794.db2.gz SPEFXJSNRZBWRG-MXWKQRLJSA-N 2 1 232.318 1.962 20 0 BDADMP CCC(F)(F)C[NH2+]CC1CC[NH+](C)CC1 ZINC000697582089 964328451 /nfs/dbraw/zinc/32/84/51/964328451.db2.gz FZUUXDOTJHPYPU-UHFFFAOYSA-N 2 1 220.307 1.963 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@](F)(CO)C2)CC1 ZINC001168315569 964427126 /nfs/dbraw/zinc/42/71/26/964427126.db2.gz ZHMXPPGGQOVSAU-WXRRBKDZSA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC23COC3)CC1 ZINC001168324662 964444576 /nfs/dbraw/zinc/44/45/76/964444576.db2.gz TXTYLCSZUICUDW-UHFFFAOYSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)[C@H]2CCOC2)CC1 ZINC001168324032 964449554 /nfs/dbraw/zinc/44/95/54/964449554.db2.gz HCXXONZRYOFDAL-BPCQOVAHSA-N 2 1 226.364 1.580 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001168331108 964464284 /nfs/dbraw/zinc/46/42/84/964464284.db2.gz ZGWAXYAJRXOOIH-NWINJMCUSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC001168330588 964466092 /nfs/dbraw/zinc/46/60/92/964466092.db2.gz SPJKYTLLSGGAQP-MRFVTOPCSA-N 2 1 240.391 1.968 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)CCF)CC1 ZINC001168334340 964468263 /nfs/dbraw/zinc/46/82/63/964468263.db2.gz RDJSCJUZBNDLJW-UHFFFAOYSA-N 2 1 202.317 1.761 20 0 BDADMP CC(C)N(C(=O)C[N@@H+](C)C(C)C)C(C)(C)C[NH3+] ZINC001142590530 964651438 /nfs/dbraw/zinc/65/14/38/964651438.db2.gz DKARTRIAZUYUPH-UHFFFAOYSA-N 2 1 243.395 1.301 20 0 BDADMP Nc1cc[nH+]c(NCc2[nH+]cn3ccccc23)c1 ZINC001161680368 964683362 /nfs/dbraw/zinc/68/33/62/964683362.db2.gz BYSHYMQYCPVDNU-UHFFFAOYSA-N 2 1 239.282 1.924 20 0 BDADMP F[C@@H]1C[NH2+][C@H](CNc2ccc3[nH]c[nH+]c3c2)C1 ZINC001162481180 964995743 /nfs/dbraw/zinc/99/57/43/964995743.db2.gz LEDWJFJYLREFBX-WPRPVWTQSA-N 2 1 234.278 1.675 20 0 BDADMP CC[N@@H+](CCn1ccnc1)CC1CC[NH2+]CC1 ZINC000094024874 965388566 /nfs/dbraw/zinc/38/85/66/965388566.db2.gz FRJGLWNIFFMKFM-UHFFFAOYSA-N 2 1 236.363 1.205 20 0 BDADMP Cc1[nH+]ccn1CCNc1[nH+]ccc2c1CCN2 ZINC001163919794 965634495 /nfs/dbraw/zinc/63/44/95/965634495.db2.gz LCBPWLZRTIFYNA-UHFFFAOYSA-N 2 1 243.314 1.667 20 0 BDADMP Cc1cc(C[NH3+])nn1-c1ccc2[nH+]c(N)[nH]c2c1 ZINC001163985694 965676959 /nfs/dbraw/zinc/67/69/59/965676959.db2.gz ZGGAWTFZHQJDEA-UHFFFAOYSA-N 2 1 242.286 1.098 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@H]([NH3+])CC1)C(F)(F)F ZINC001205094136 965723708 /nfs/dbraw/zinc/72/37/08/965723708.db2.gz IVSKNFCOHLFKOO-BDAKNGLRSA-N 2 1 224.270 1.998 20 0 BDADMP C[C@@H]1OCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000699206702 965815860 /nfs/dbraw/zinc/81/58/60/965815860.db2.gz XVDYMVLXNFYDSS-WSOGJNRSSA-N 2 1 238.375 1.626 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(O)cn2)CC1 ZINC001205109253 965831571 /nfs/dbraw/zinc/83/15/71/965831571.db2.gz CLNLTMAEIITPOD-JTQLQIEISA-N 2 1 221.304 1.100 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(O)cn2)CC1 ZINC001205109253 965831582 /nfs/dbraw/zinc/83/15/82/965831582.db2.gz CLNLTMAEIITPOD-JTQLQIEISA-N 2 1 221.304 1.100 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])CN1c1[nH+]cccc1N ZINC001164460922 965893361 /nfs/dbraw/zinc/89/33/61/965893361.db2.gz GKYDCUCPLVIDSG-ZJUUUORDSA-N 2 1 220.320 1.227 20 0 BDADMP NC(=O)c1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124375 965893954 /nfs/dbraw/zinc/89/39/54/965893954.db2.gz PMSTTZJGOBESDM-ZDUSSCGKSA-N 2 1 247.342 1.099 20 0 BDADMP NC(=O)c1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124375 965893956 /nfs/dbraw/zinc/89/39/56/965893956.db2.gz PMSTTZJGOBESDM-ZDUSSCGKSA-N 2 1 247.342 1.099 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205124503 965896496 /nfs/dbraw/zinc/89/64/96/965896496.db2.gz SZNUEOIOANHLQO-NSHDSACASA-N 2 1 223.320 1.605 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205124503 965896502 /nfs/dbraw/zinc/89/65/02/965896502.db2.gz SZNUEOIOANHLQO-NSHDSACASA-N 2 1 223.320 1.605 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)C[C@H]1C[NH3+] ZINC001205131412 965937682 /nfs/dbraw/zinc/93/76/82/965937682.db2.gz YCHHAZVVZVKROW-TUAOUCFPSA-N 2 1 210.321 1.206 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000699534802 965946640 /nfs/dbraw/zinc/94/66/40/965946640.db2.gz SOSLJDRUAURRIT-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CN(C)c1cccc(N2CCC[C@H]2C[NH+](C)C)[nH+]1 ZINC001165071935 965952266 /nfs/dbraw/zinc/95/22/66/965952266.db2.gz KQAWRKJSSBMOHP-LBPRGKRZSA-N 2 1 248.374 1.678 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000699555694 965973648 /nfs/dbraw/zinc/97/36/48/965973648.db2.gz CRMJUSWVZDMYTN-RKFYDKJMSA-N 2 1 238.375 1.626 20 0 BDADMP Cc1cc(C)[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC001165144190 965973992 /nfs/dbraw/zinc/97/39/92/965973992.db2.gz HHUIDUGODMEDLO-BETUJISGSA-N 2 1 231.343 1.696 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2cc(C[NH3+])ccn2)C1 ZINC001165253793 966014666 /nfs/dbraw/zinc/01/46/66/966014666.db2.gz RQVWLDJGIZTMDP-LBPRGKRZSA-N 2 1 248.374 1.684 20 0 BDADMP C[N@@H+]1CCC[C@@H](CCNc2cc[nH+]c(CN)c2)C1 ZINC001165289681 966030061 /nfs/dbraw/zinc/03/00/61/966030061.db2.gz IJIOXBRZOJOTLJ-LBPRGKRZSA-N 2 1 248.374 1.684 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2cc[nH+]c(CN)c2)C1 ZINC001165289681 966030080 /nfs/dbraw/zinc/03/00/80/966030080.db2.gz IJIOXBRZOJOTLJ-LBPRGKRZSA-N 2 1 248.374 1.684 20 0 BDADMP c1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)n[nH]1 ZINC001235232634 966033629 /nfs/dbraw/zinc/03/36/29/966033629.db2.gz KKFDSKRWTKZGJW-CQSZACIVSA-N 2 1 248.374 1.764 20 0 BDADMP Cc1cccc2cc[nH+]c(N3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)c12 ZINC001165384357 966078123 /nfs/dbraw/zinc/07/81/23/966078123.db2.gz DFLVJGGAGQADSV-DABQJJPHSA-N 2 1 239.322 1.937 20 0 BDADMP CCc1[nH]c(CN2CC(C)(C[NH3+])C2)c(C)[nH+]1 ZINC001206711169 966194391 /nfs/dbraw/zinc/19/43/91/966194391.db2.gz GFEWHXLRLBNCHS-UHFFFAOYSA-N 2 1 222.336 1.061 20 0 BDADMP C[N@@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1N ZINC001236214683 966310933 /nfs/dbraw/zinc/31/09/33/966310933.db2.gz UQPVNCUAYMZOJU-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP CN(CC1(C)CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214683 966310942 /nfs/dbraw/zinc/31/09/42/966310942.db2.gz UQPVNCUAYMZOJU-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216648 966313271 /nfs/dbraw/zinc/31/32/71/966313271.db2.gz LEEMBQQYGJUQEM-GJZGRUSLSA-N 3 1 247.386 1.847 20 0 BDADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216648 966313279 /nfs/dbraw/zinc/31/32/79/966313279.db2.gz LEEMBQQYGJUQEM-GJZGRUSLSA-N 3 1 247.386 1.847 20 0 BDADMP Cc1cc2c(nc[nH+]c2N2CCC([NH3+])CC2)[nH]1 ZINC001166662445 966355988 /nfs/dbraw/zinc/35/59/88/966355988.db2.gz PNUYJCPFAIBTQT-UHFFFAOYSA-N 2 1 231.303 1.194 20 0 BDADMP CCc1[nH]c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(C)[nH+]1 ZINC001236575306 966454690 /nfs/dbraw/zinc/45/46/90/966454690.db2.gz HZVCRGBMDDIBGI-NXEZZACHSA-N 2 1 236.363 1.463 20 0 BDADMP Cc1cncc(C[NH+]2CC3(C2)CC[NH+](C)CC3)n1 ZINC001203175266 966546639 /nfs/dbraw/zinc/54/66/39/966546639.db2.gz MFFOPRQZMRNUIS-UHFFFAOYSA-N 2 1 246.358 1.313 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001204089072 966888622 /nfs/dbraw/zinc/88/86/22/966888622.db2.gz KCFIULGDQYITSN-QLFBSQMISA-N 2 1 245.370 1.820 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC1=O ZINC000715558804 967158933 /nfs/dbraw/zinc/15/89/33/967158933.db2.gz SJDLKLSZIQCUDN-PNESKVBLSA-N 2 1 238.375 1.770 20 0 BDADMP [NH3+][C@H]1CN(Cc2c[nH]c3cc[nH+]cc23)C[C@H]1F ZINC001204823345 967181953 /nfs/dbraw/zinc/18/19/53/967181953.db2.gz JZFOERQYTSZXTG-MNOVXSKESA-N 2 1 234.278 1.044 20 0 BDADMP C[C@H]1SCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000693561856 967265979 /nfs/dbraw/zinc/26/59/79/967265979.db2.gz KXLZPVWPSHJLMS-ZRUFSTJUSA-N 2 1 214.378 1.550 20 0 BDADMP COc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccn1 ZINC001205093849 967340262 /nfs/dbraw/zinc/34/02/62/967340262.db2.gz GMOVYZZAXWOCBI-LBPRGKRZSA-N 2 1 235.331 1.403 20 0 BDADMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccn1 ZINC001205093849 967340265 /nfs/dbraw/zinc/34/02/65/967340265.db2.gz GMOVYZZAXWOCBI-LBPRGKRZSA-N 2 1 235.331 1.403 20 0 BDADMP Nc1cccc(F)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109863 967353340 /nfs/dbraw/zinc/35/33/40/967353340.db2.gz LMDLMWQRZIRLMN-JTQLQIEISA-N 2 1 237.322 1.721 20 0 BDADMP Nc1cccc(F)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109863 967353353 /nfs/dbraw/zinc/35/33/53/967353353.db2.gz LMDLMWQRZIRLMN-JTQLQIEISA-N 2 1 237.322 1.721 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cnc1F ZINC001205117283 967364418 /nfs/dbraw/zinc/36/44/18/967364418.db2.gz MUSVSUILENACBQ-GFCCVEGCSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cnc1F ZINC001205117283 967364429 /nfs/dbraw/zinc/36/44/29/967364429.db2.gz MUSVSUILENACBQ-GFCCVEGCSA-N 2 1 237.322 1.842 20 0 BDADMP CNc1ncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205117834 967365910 /nfs/dbraw/zinc/36/59/10/967365910.db2.gz WSLZBPCYMMPIDQ-VIFPVBQESA-N 2 1 240.376 1.498 20 0 BDADMP CNc1ncc(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205117834 967365932 /nfs/dbraw/zinc/36/59/32/967365932.db2.gz WSLZBPCYMMPIDQ-VIFPVBQESA-N 2 1 240.376 1.498 20 0 BDADMP COc1ccoc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123486 967373314 /nfs/dbraw/zinc/37/33/14/967373314.db2.gz BJQQDUWINDAGMU-SNVBAGLBSA-N 2 1 224.304 1.601 20 0 BDADMP COc1ccoc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123486 967373322 /nfs/dbraw/zinc/37/33/22/967373322.db2.gz BJQQDUWINDAGMU-SNVBAGLBSA-N 2 1 224.304 1.601 20 0 BDADMP C[C@H]1CN(Cc2[nH+]cn3ccccc23)C[C@H]1C[NH3+] ZINC001205146135 967387137 /nfs/dbraw/zinc/38/71/37/967387137.db2.gz QGFQIQDNDIJYER-NWDGAFQWSA-N 2 1 244.342 1.361 20 0 BDADMP C[C@H]1C[N@H+](Cc2ncn3ccccc23)C[C@H]1C[NH3+] ZINC001205146135 967387145 /nfs/dbraw/zinc/38/71/45/967387145.db2.gz QGFQIQDNDIJYER-NWDGAFQWSA-N 2 1 244.342 1.361 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncn3ccccc23)C[C@H]1C[NH3+] ZINC001205146135 967387158 /nfs/dbraw/zinc/38/71/58/967387158.db2.gz QGFQIQDNDIJYER-NWDGAFQWSA-N 2 1 244.342 1.361 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001205255101 967446617 /nfs/dbraw/zinc/44/66/17/967446617.db2.gz GUAFFOIYJTZTRQ-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP C[NH+](C)CCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001250157931 967450819 /nfs/dbraw/zinc/45/08/19/967450819.db2.gz FKMOGCXHBAVMEA-UHFFFAOYSA-N 2 1 248.370 1.623 20 0 BDADMP Cc1nc(N)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280577 967469997 /nfs/dbraw/zinc/46/99/97/967469997.db2.gz CTTYOJWYFFNOIY-AWEZNQCLSA-N 2 1 248.374 1.676 20 0 BDADMP Cc1ncncc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296908 967497989 /nfs/dbraw/zinc/49/79/89/967497989.db2.gz WVMMKYMMMCEJIV-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296908 967498002 /nfs/dbraw/zinc/49/80/02/967498002.db2.gz WVMMKYMMMCEJIV-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cnccn2)CC1 ZINC001205546246 967686634 /nfs/dbraw/zinc/68/66/34/967686634.db2.gz SSHJWQFHNFBNPG-LBPRGKRZSA-N 2 1 238.310 1.130 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCC2CC2)CC1 ZINC001205545539 967688020 /nfs/dbraw/zinc/68/80/20/967688020.db2.gz JBLQBMIMZCGBFD-GFCCVEGCSA-N 2 1 214.328 1.939 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546184 967688419 /nfs/dbraw/zinc/68/84/19/967688419.db2.gz RJDCWSZUWMDQEI-CYBMUJFWSA-N 2 1 239.338 1.678 20 0 BDADMP COCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545448 967693123 /nfs/dbraw/zinc/69/31/23/967693123.db2.gz HKFSPZGUKJONHS-NSHDSACASA-N 2 1 218.316 1.176 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCO)CC[C@@H]1C[NH3+] ZINC001205603531 967720919 /nfs/dbraw/zinc/72/09/19/967720919.db2.gz PWMOZICGUBMEPM-QWHCGFSZSA-N 2 1 228.380 1.456 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncccn2)CC[C@H]1C[NH3+] ZINC001205617832 967731638 /nfs/dbraw/zinc/73/16/38/967731638.db2.gz OJDFGVSJBCWYDC-RYUDHWBXSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccns2)CC[C@@H]1C[NH3+] ZINC001205637897 967732515 /nfs/dbraw/zinc/73/25/15/967732515.db2.gz JUFNEAMZLPJNKB-GHMZBOCLSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cc[nH]c2)CC[C@H]1C[NH3+] ZINC001205627221 967733305 /nfs/dbraw/zinc/73/33/05/967733305.db2.gz NYSDRROPXXMONT-AAEUAGOBSA-N 2 1 221.348 1.822 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cocn2)CC[C@H]1C[NH3+] ZINC001205628500 967733853 /nfs/dbraw/zinc/73/38/53/967733853.db2.gz VRPGIZFBLBBYOY-MNOVXSKESA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncco2)CC[C@@H]1C[NH3+] ZINC001205629193 967737534 /nfs/dbraw/zinc/73/75/34/967737534.db2.gz YIILZCHQJRFFOM-GHMZBOCLSA-N 2 1 223.320 1.481 20 0 BDADMP Cc1ncncc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205652533 967740844 /nfs/dbraw/zinc/74/08/44/967740844.db2.gz PYLJFTABMZEPKD-YPMHNXCESA-N 2 1 248.374 1.592 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662428 967750438 /nfs/dbraw/zinc/75/04/38/967750438.db2.gz ASRIULAEYMWDTO-NWDGAFQWSA-N 2 1 246.420 1.304 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205803901 967830437 /nfs/dbraw/zinc/83/04/37/967830437.db2.gz KISLLIJVTGSCSQ-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])N(CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205803901 967830440 /nfs/dbraw/zinc/83/04/40/967830440.db2.gz KISLLIJVTGSCSQ-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP COC(=O)C1(C)CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001168754641 967838606 /nfs/dbraw/zinc/83/86/06/967838606.db2.gz IWHMCRAHNSWXJQ-ZBOXLXRLSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)C1(C)CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001168754641 967838604 /nfs/dbraw/zinc/83/86/04/967838604.db2.gz IWHMCRAHNSWXJQ-ZBOXLXRLSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@]1(F)CCC[N@@H+](CCCC[NH3+])CC1 ZINC001205851857 967853633 /nfs/dbraw/zinc/85/36/33/967853633.db2.gz CKXUHSGJIUXDNL-NSHDSACASA-N 2 1 202.317 1.939 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CCSCC2)C[C@@H]1[NH3+] ZINC001205862955 967860426 /nfs/dbraw/zinc/86/04/26/967860426.db2.gz FGMDEDXQQAHHJX-PWSUYJOCSA-N 2 1 228.405 1.799 20 0 BDADMP C[C@H]1C[N@@H+](CC2CCOCC2)CCC[C@H]1C[NH3+] ZINC001205981132 967924774 /nfs/dbraw/zinc/92/47/74/967924774.db2.gz BUYCPSSMAKVLLK-JSGCOSHPSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@H]1C[N@@H+](CC23CC([NH3+])(C2)C3)CCC[C@@H]1C[NH3+] ZINC001205982198 967934192 /nfs/dbraw/zinc/93/41/92/967934192.db2.gz LKYJUXACRRVGQE-MRFVTOPCSA-N 3 1 237.391 1.175 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCO)CCC[C@@H]1C[NH3+] ZINC001205984680 967937236 /nfs/dbraw/zinc/93/72/36/967937236.db2.gz UCWISLVJOUMVPP-VXGBXAGGSA-N 2 1 214.353 1.066 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985670 967939664 /nfs/dbraw/zinc/93/96/64/967939664.db2.gz ZMBJLNLPKWEANY-OLZOCXBDSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CCC[C@H]1C[NH3+] ZINC001205992581 967945018 /nfs/dbraw/zinc/94/50/18/967945018.db2.gz FMDZQFSXZANVCD-AAEUAGOBSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnccc2N)CCC[C@H]1C[NH3+] ZINC001205996597 967948973 /nfs/dbraw/zinc/94/89/73/967948973.db2.gz XONNXTJFDITQNB-RYUDHWBXSA-N 2 1 248.374 1.301 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnoc2)CCC[C@@H]1C[NH3+] ZINC001205996375 967949268 /nfs/dbraw/zinc/94/92/68/967949268.db2.gz WPTJUUYPYWGMND-CMPLNLGQSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CCC[C@H]1C[NH3+] ZINC001205995236 967953724 /nfs/dbraw/zinc/95/37/24/967953724.db2.gz NJIKVOZRMBTUEX-AAEUAGOBSA-N 2 1 236.363 1.227 20 0 BDADMP c1csc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000710446792 967955659 /nfs/dbraw/zinc/95/56/59/967955659.db2.gz YPSPHOSESLFLFC-GHMZBOCLSA-N 2 1 237.372 1.542 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccnnc2)CCC[C@@H]1C[NH3+] ZINC001206005585 967957623 /nfs/dbraw/zinc/95/76/23/967957623.db2.gz YUBGCHDPUOPDAB-DGCLKSJQSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(N)nc2)CCC[C@@H]1C[NH3+] ZINC001206011791 967967863 /nfs/dbraw/zinc/96/78/63/967967863.db2.gz GOSPAWZJXHSXMP-WCQYABFASA-N 2 1 248.374 1.471 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206024530 967980189 /nfs/dbraw/zinc/98/01/89/967980189.db2.gz JSNNUPCLZRYHEO-DGCLKSJQSA-N 2 1 248.374 1.592 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206024531 967983883 /nfs/dbraw/zinc/98/38/83/967983883.db2.gz JSNNUPCLZRYHEO-WCQYABFASA-N 2 1 248.374 1.592 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001206042672 968010315 /nfs/dbraw/zinc/01/03/15/968010315.db2.gz ZKVYAEHZWFXKRO-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](N3CCCC3)C2)C1 ZINC000693569995 968081404 /nfs/dbraw/zinc/08/14/04/968081404.db2.gz UYZGKFBVYPTTIK-HZSPNIEDSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+][C@H]1C[C@@H](CN2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000693569995 968081413 /nfs/dbraw/zinc/08/14/13/968081413.db2.gz UYZGKFBVYPTTIK-HZSPNIEDSA-N 2 1 237.391 1.284 20 0 BDADMP Cc1[nH]c(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(C)[nH+]1 ZINC001206140195 968082908 /nfs/dbraw/zinc/08/29/08/968082908.db2.gz VWDUUTVUKUQSOH-VIFPVBQESA-N 2 1 244.289 1.195 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001206154227 968090057 /nfs/dbraw/zinc/09/00/57/968090057.db2.gz HQEIAXNFOBGNKS-OLZOCXBDSA-N 2 1 243.370 1.089 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001206154227 968090068 /nfs/dbraw/zinc/09/00/68/968090068.db2.gz HQEIAXNFOBGNKS-OLZOCXBDSA-N 3 1 243.370 1.089 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001206154227 968090073 /nfs/dbraw/zinc/09/00/73/968090073.db2.gz HQEIAXNFOBGNKS-OLZOCXBDSA-N 3 1 243.370 1.089 20 0 BDADMP N[C@]1(C(F)(F)F)CC[N@@H+](CCCCC[NH3+])C1 ZINC001206222468 968151781 /nfs/dbraw/zinc/15/17/81/968151781.db2.gz OUALAQVMTYAANN-SECBINFHSA-N 2 1 239.285 1.081 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)no1 ZINC001206305070 968215950 /nfs/dbraw/zinc/21/59/50/968215950.db2.gz SKMMFJFSYHZZCG-ZDUSSCGKSA-N 2 1 237.347 1.934 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cncc(O)c2)CC1 ZINC001206318057 968227646 /nfs/dbraw/zinc/22/76/46/968227646.db2.gz LVXFSESKYUXHPS-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[NH+](C)CCC(C)(C)[NH2+]C[C@@H](O)C(F)(F)F ZINC001250996060 968242830 /nfs/dbraw/zinc/24/28/30/968242830.db2.gz PISFDUKUIMBIPY-MRVPVSSYSA-N 2 1 242.285 1.230 20 0 BDADMP [NH3+][C@H]1C[C@@H](F)CN(Cc2[nH+]cn3ccccc23)C1 ZINC001206434283 968301998 /nfs/dbraw/zinc/30/19/98/968301998.db2.gz HWNREPKEMPHWNS-MNOVXSKESA-N 2 1 248.305 1.205 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001206480755 968334896 /nfs/dbraw/zinc/33/48/96/968334896.db2.gz JQWRUAFQHQUPMZ-LSDHHAIUSA-N 2 1 246.354 1.315 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1O ZINC001206520267 968350911 /nfs/dbraw/zinc/35/09/11/968350911.db2.gz SBANMRJYHDPYTP-AAEUAGOBSA-N 2 1 246.310 1.184 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1O ZINC001206520267 968350920 /nfs/dbraw/zinc/35/09/20/968350920.db2.gz SBANMRJYHDPYTP-AAEUAGOBSA-N 2 1 246.310 1.184 20 0 BDADMP Cn1cccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542002 968365710 /nfs/dbraw/zinc/36/57/10/968365710.db2.gz OZZJLYVGUHPVJI-AWEZNQCLSA-N 2 1 235.375 1.976 20 0 BDADMP Cc1ncc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)o1 ZINC001206564510 968386458 /nfs/dbraw/zinc/38/64/58/968386458.db2.gz PSJVTGHODLUFHP-CYBMUJFWSA-N 2 1 237.347 1.934 20 0 BDADMP Cc1ncc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)o1 ZINC001206564510 968386463 /nfs/dbraw/zinc/38/64/63/968386463.db2.gz PSJVTGHODLUFHP-CYBMUJFWSA-N 2 1 237.347 1.934 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](C)O ZINC001251962628 968402167 /nfs/dbraw/zinc/40/21/67/968402167.db2.gz KSWFDROQEFSCQJ-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP Cc1ncc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC001206606864 968413477 /nfs/dbraw/zinc/41/34/77/968413477.db2.gz VHESQDQTBPNMLO-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP Cc1ncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC001206606864 968413481 /nfs/dbraw/zinc/41/34/81/968413481.db2.gz VHESQDQTBPNMLO-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP Cc1cc(CN2CCCC[C@@H](C[NH3+])C2)n[nH]1 ZINC001206606358 968414126 /nfs/dbraw/zinc/41/41/26/968414126.db2.gz LQLSRSMNKUQFIG-NSHDSACASA-N 2 1 222.336 1.279 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)[nH]n1 ZINC001206606358 968414130 /nfs/dbraw/zinc/41/41/30/968414130.db2.gz LQLSRSMNKUQFIG-NSHDSACASA-N 2 1 222.336 1.279 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)[nH]n1 ZINC001206606358 968414137 /nfs/dbraw/zinc/41/41/37/968414137.db2.gz LQLSRSMNKUQFIG-NSHDSACASA-N 2 1 222.336 1.279 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606411 968415085 /nfs/dbraw/zinc/41/50/85/968415085.db2.gz NBWGZIMDNFKBRJ-ZDUSSCGKSA-N 2 1 227.396 1.566 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206623358 968422775 /nfs/dbraw/zinc/42/27/75/968422775.db2.gz LHGWKRLXGXSMDV-OAHLLOKOSA-N 3 1 247.386 1.706 20 0 BDADMP Cc1cc(O)cc(C)c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206723733 968431940 /nfs/dbraw/zinc/43/19/40/968431940.db2.gz UVYWZWRCHUAKRB-UHFFFAOYSA-N 2 1 234.343 1.790 20 0 BDADMP CCN(CC[NH+](C)C)Cc1c[nH+]c(C)n1C ZINC001206789083 968473898 /nfs/dbraw/zinc/47/38/98/968473898.db2.gz AZCBASGICLYZRW-UHFFFAOYSA-N 2 1 224.352 1.112 20 0 BDADMP CC[NH+](CC)CCN(C)Cc1c[nH+]c(C)n1C ZINC001206790906 968474403 /nfs/dbraw/zinc/47/44/03/968474403.db2.gz XRTINNXIYDYJJW-UHFFFAOYSA-N 2 1 238.379 1.502 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207010926 968548407 /nfs/dbraw/zinc/54/84/07/968548407.db2.gz ZZUYLBRJPBTMLY-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP CC[N@H+](C)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207010926 968548399 /nfs/dbraw/zinc/54/83/99/968548399.db2.gz ZZUYLBRJPBTMLY-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207012799 968551541 /nfs/dbraw/zinc/55/15/41/968551541.db2.gz ZAAVISJAPDTUAN-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207012799 968551547 /nfs/dbraw/zinc/55/15/47/968551547.db2.gz ZAAVISJAPDTUAN-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207012799 968551552 /nfs/dbraw/zinc/55/15/52/968551552.db2.gz ZAAVISJAPDTUAN-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)cn1)CC2 ZINC001207042448 968573372 /nfs/dbraw/zinc/57/33/72/968573372.db2.gz CWXLVRKVNJSXQN-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCC2CC2)CCC1(F)F ZINC000403235152 968671933 /nfs/dbraw/zinc/67/19/33/968671933.db2.gz OAQDIYAEVKXKCE-JTQLQIEISA-N 2 1 218.291 1.702 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCC1OCCO1 ZINC001207282334 968710413 /nfs/dbraw/zinc/71/04/13/968710413.db2.gz IOMIBNMBUSVMKT-UHFFFAOYSA-N 2 1 244.379 1.269 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CC[C@@H]1O ZINC001207276297 968713190 /nfs/dbraw/zinc/71/31/90/968713190.db2.gz VCHNPHOWKPYTID-NEPJUHHUSA-N 2 1 228.380 1.277 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC(=O)C(C)(C)C2)CC1 ZINC001207398853 968749314 /nfs/dbraw/zinc/74/93/14/968749314.db2.gz RISJXJFVAFVRNU-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]1(O)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436532 968768063 /nfs/dbraw/zinc/76/80/63/968768063.db2.gz MWNWSNZZOZSXDX-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP Nc1[nH]c2cc(C=C3CC[NH2+]CC3)ccc2[nH+]1 ZINC001240876705 968785823 /nfs/dbraw/zinc/78/58/23/968785823.db2.gz FAOBOIZDQCTLLX-UHFFFAOYSA-N 2 1 228.299 1.912 20 0 BDADMP CO[C@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479730 968794344 /nfs/dbraw/zinc/79/43/44/968794344.db2.gz MCXRXWYINKOFIZ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479379 968795138 /nfs/dbraw/zinc/79/51/38/968795138.db2.gz HBBVSCWKQRNMGQ-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP CC[N@@H+](CCC1CC[NH+](C)CC1)C1COC1 ZINC001207487336 968798275 /nfs/dbraw/zinc/79/82/75/968798275.db2.gz YKUPYYUDCXFHCJ-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829274883 968826024 /nfs/dbraw/zinc/82/60/24/968826024.db2.gz IFVZBKLZUZTLMK-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207632582 968849980 /nfs/dbraw/zinc/84/99/80/968849980.db2.gz PDDHANRQSFLZJA-BFHYXJOUSA-N 2 1 243.354 1.953 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207632582 968849982 /nfs/dbraw/zinc/84/99/82/968849982.db2.gz PDDHANRQSFLZJA-BFHYXJOUSA-N 2 1 243.354 1.953 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001207835422 968896114 /nfs/dbraw/zinc/89/61/14/968896114.db2.gz CBQBETLIYSJQOA-UMSGYPCISA-N 2 1 226.364 1.341 20 0 BDADMP COCC[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208099971 968995237 /nfs/dbraw/zinc/99/52/37/968995237.db2.gz CBKSFYJUNVLJMU-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC001208107884 968999973 /nfs/dbraw/zinc/99/99/73/968999973.db2.gz LKRQXIVKPSKSJM-CYBMUJFWSA-N 2 1 244.354 1.125 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001208107882 969002617 /nfs/dbraw/zinc/00/26/17/969002617.db2.gz LKCCTIQZWMONLJ-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2CCn3cncc3C2)CC1 ZINC001208114024 969006630 /nfs/dbraw/zinc/00/66/30/969006630.db2.gz PPVOYCSBCYUKOY-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCn3cncc3C2)CC1 ZINC001208114024 969006638 /nfs/dbraw/zinc/00/66/38/969006638.db2.gz PPVOYCSBCYUKOY-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP C[N@@H+](Cc1ccncn1)CC1(C)CC[NH+](C)CC1 ZINC001208116667 969007498 /nfs/dbraw/zinc/00/74/98/969007498.db2.gz ZSFIBEWSYBVILD-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP COC(=O)[C@@H](C)[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208114411 969008308 /nfs/dbraw/zinc/00/83/08/969008308.db2.gz VIUHBVRMKDTTHB-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253187628 969102212 /nfs/dbraw/zinc/10/22/12/969102212.db2.gz FXAADIBSANZMMY-CYDGBPFRSA-N 2 1 244.354 1.121 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253187628 969102217 /nfs/dbraw/zinc/10/22/17/969102217.db2.gz FXAADIBSANZMMY-CYDGBPFRSA-N 2 1 244.354 1.121 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H](O)C2)CCCC1 ZINC001208182020 969112057 /nfs/dbraw/zinc/11/20/57/969112057.db2.gz KTDGDNRASIZTSN-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC001208592047 969146740 /nfs/dbraw/zinc/14/67/40/969146740.db2.gz BWHOJGQMMOXZBO-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001208593221 969148844 /nfs/dbraw/zinc/14/88/44/969148844.db2.gz QMRUSVGLXQFQLV-OLZOCXBDSA-N 2 1 244.354 1.123 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCN(C)CC2)CC1 ZINC001208593199 969151897 /nfs/dbraw/zinc/15/18/97/969151897.db2.gz DZOAWYTWUMBSGE-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP COC1(C)CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208604568 969155346 /nfs/dbraw/zinc/15/53/46/969155346.db2.gz QMYGMFZRGASZGD-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C(C)=O)C2)CC1 ZINC001208603187 969155724 /nfs/dbraw/zinc/15/57/24/969155724.db2.gz VWRUDRBREQRMQG-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+]1CCC(CN2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001208602478 969155865 /nfs/dbraw/zinc/15/58/65/969155865.db2.gz FODIWODSJCZKCA-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CCN3CC[C@H]3C2)CC1 ZINC001208602478 969155870 /nfs/dbraw/zinc/15/58/70/969155870.db2.gz FODIWODSJCZKCA-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCN3CC[C@H]3C2)CC1 ZINC001208602478 969155876 /nfs/dbraw/zinc/15/58/76/969155876.db2.gz FODIWODSJCZKCA-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CCC(CN2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001208602479 969158183 /nfs/dbraw/zinc/15/81/83/969158183.db2.gz FODIWODSJCZKCA-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CCN3CC[C@@H]3C2)CC1 ZINC001208602479 969158186 /nfs/dbraw/zinc/15/81/86/969158186.db2.gz FODIWODSJCZKCA-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCN3CC[C@@H]3C2)CC1 ZINC001208602479 969158188 /nfs/dbraw/zinc/15/81/88/969158188.db2.gz FODIWODSJCZKCA-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001208606879 969161703 /nfs/dbraw/zinc/16/17/03/969161703.db2.gz IQRKVJYDEYYRSM-TUAOUCFPSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001208606879 969161704 /nfs/dbraw/zinc/16/17/04/969161704.db2.gz IQRKVJYDEYYRSM-TUAOUCFPSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001208606879 969161708 /nfs/dbraw/zinc/16/17/08/969161708.db2.gz IQRKVJYDEYYRSM-TUAOUCFPSA-N 2 1 244.329 1.915 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001208607976 969165971 /nfs/dbraw/zinc/16/59/71/969165971.db2.gz DVTSPLTXXBCWRK-UPJWGTAASA-N 2 1 222.376 1.916 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CCC[C@@H]1O ZINC001208608688 969166987 /nfs/dbraw/zinc/16/69/87/969166987.db2.gz VSDCXUYWWTWFSS-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CCC[C@@H]1O ZINC001208608688 969166996 /nfs/dbraw/zinc/16/69/96/969166996.db2.gz VSDCXUYWWTWFSS-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@H+]1CCC[C@@H](CN2CC[NH+]3CCC2CC3)C1 ZINC001208618327 969178530 /nfs/dbraw/zinc/17/85/30/969178530.db2.gz WNGKQECECLIRPD-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP CCCCC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC001253520591 969197997 /nfs/dbraw/zinc/19/79/97/969197997.db2.gz VCQRABCLFASHIR-CYBMUJFWSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCC[C@H]1C[NH3+] ZINC001205994841 969248948 /nfs/dbraw/zinc/24/89/48/969248948.db2.gz MNQSUPRMGVJSQV-AAEUAGOBSA-N 2 1 249.358 1.594 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)CCC(=O)OCC ZINC001209039127 969332589 /nfs/dbraw/zinc/33/25/89/969332589.db2.gz TXACVIGTYYQPPU-UHFFFAOYSA-N 2 1 244.379 1.603 20 0 BDADMP CSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092731 969386457 /nfs/dbraw/zinc/38/64/57/969386457.db2.gz CMPKLBDZYZWXBJ-JGPRNRPPSA-N 2 1 214.378 1.564 20 0 BDADMP CC[N@H+](C)C1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC001253768194 969389097 /nfs/dbraw/zinc/38/90/97/969389097.db2.gz LMQDSTMGNTZARK-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC001253768194 969389103 /nfs/dbraw/zinc/38/91/03/969389103.db2.gz LMQDSTMGNTZARK-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cnccn1)C2 ZINC001169098927 969391386 /nfs/dbraw/zinc/39/13/86/969391386.db2.gz MMKWQFDWNSZAMB-ZSOGYDGISA-N 2 1 246.358 1.234 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccnc1)C2 ZINC001169078831 969395886 /nfs/dbraw/zinc/39/58/86/969395886.db2.gz ICMHXMJFPIFSGH-BTTYYORXSA-N 2 1 231.343 1.796 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccnc1)C2 ZINC001169078831 969395899 /nfs/dbraw/zinc/39/58/99/969395899.db2.gz ICMHXMJFPIFSGH-BTTYYORXSA-N 2 1 231.343 1.796 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)C2 ZINC001169077869 969400759 /nfs/dbraw/zinc/40/07/59/969400759.db2.gz AYCVRPATHSXXSV-VJUFMGLXSA-N 2 1 238.375 1.505 20 0 BDADMP COCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209211470 969401808 /nfs/dbraw/zinc/40/18/08/969401808.db2.gz RBZGQIJGXBGFGO-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169082009 969404296 /nfs/dbraw/zinc/40/42/96/969404296.db2.gz XFFUWNNLFVPVDU-XYYAHUGASA-N 2 1 234.347 1.135 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169082009 969404302 /nfs/dbraw/zinc/40/43/02/969404302.db2.gz XFFUWNNLFVPVDU-XYYAHUGASA-N 2 1 234.347 1.135 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CCOCC1)C2 ZINC001169079769 969405041 /nfs/dbraw/zinc/40/50/41/969405041.db2.gz LJWDAXDZUZGMTM-ZSOGYDGISA-N 2 1 238.375 1.628 20 0 BDADMP COC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169089547 969408605 /nfs/dbraw/zinc/40/86/05/969408605.db2.gz CHCKGXJDISCVIQ-ZSBIGDGJSA-N 2 1 226.364 1.626 20 0 BDADMP CCCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091856 969408652 /nfs/dbraw/zinc/40/86/52/969408652.db2.gz WISAZADYZWVBHD-FQUUOJAGSA-N 2 1 240.391 1.752 20 0 BDADMP COCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001169089655 969409290 /nfs/dbraw/zinc/40/92/90/969409290.db2.gz FIMZEIXGTPEAFY-XYYAHUGASA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001169117358 969412404 /nfs/dbraw/zinc/41/24/04/969412404.db2.gz ZBTCGFHPWPIASL-KSTCHIGDSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCOC[C@@H]1F)C2 ZINC001169119521 969413406 /nfs/dbraw/zinc/41/34/06/969413406.db2.gz SYWYNAHVZIPPQV-IEECTRCBSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCOC[C@@H]1F)C2 ZINC001169119521 969413410 /nfs/dbraw/zinc/41/34/10/969413410.db2.gz SYWYNAHVZIPPQV-IEECTRCBSA-N 2 1 242.338 1.328 20 0 BDADMP Cn1ccnc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123080 969417856 /nfs/dbraw/zinc/41/78/56/969417856.db2.gz IRYRYOOMJKJUGL-CLLJXQQHSA-N 2 1 248.374 1.177 20 0 BDADMP C[C@@H]1COCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124204 969418814 /nfs/dbraw/zinc/41/88/14/969418814.db2.gz ASGGRXGJFFICMH-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1COCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124204 969418819 /nfs/dbraw/zinc/41/88/19/969418819.db2.gz ASGGRXGJFFICMH-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1COCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124204 969418824 /nfs/dbraw/zinc/41/88/24/969418824.db2.gz ASGGRXGJFFICMH-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](CO)C1)C2 ZINC001169122759 969419582 /nfs/dbraw/zinc/41/95/82/969419582.db2.gz CYCMYMKBEYHOIX-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](CO)C1)C2 ZINC001169122759 969419585 /nfs/dbraw/zinc/41/95/85/969419585.db2.gz CYCMYMKBEYHOIX-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](CO)C1)C2 ZINC001169122759 969419589 /nfs/dbraw/zinc/41/95/89/969419589.db2.gz CYCMYMKBEYHOIX-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccncn1)C2 ZINC001169123098 969420576 /nfs/dbraw/zinc/42/05/76/969420576.db2.gz IZDLYRBLXYMBLT-BTTYYORXSA-N 2 1 246.358 1.234 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]1(C)CCCOC1)C2 ZINC001169125347 969425912 /nfs/dbraw/zinc/42/59/12/969425912.db2.gz ZPFUFTYUWFWXHA-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+](CC1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124523 969429228 /nfs/dbraw/zinc/42/92/28/969429228.db2.gz DSNHBJOURZZKKS-CLLJXQQHSA-N 2 1 208.349 1.953 20 0 BDADMP C[NH+](CC1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124523 969429234 /nfs/dbraw/zinc/42/92/34/969429234.db2.gz DSNHBJOURZZKKS-CLLJXQQHSA-N 2 1 208.349 1.953 20 0 BDADMP C[NH+](CC1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124523 969429238 /nfs/dbraw/zinc/42/92/38/969429238.db2.gz DSNHBJOURZZKKS-CLLJXQQHSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001169126970 969430187 /nfs/dbraw/zinc/43/01/87/969430187.db2.gz YNYABJPYUYOPNU-PEBLQZBPSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1O ZINC001169126970 969430195 /nfs/dbraw/zinc/43/01/95/969430195.db2.gz YNYABJPYUYOPNU-PEBLQZBPSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1O ZINC001169126970 969430201 /nfs/dbraw/zinc/43/02/01/969430201.db2.gz YNYABJPYUYOPNU-PEBLQZBPSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(C1)CCOC3)C2 ZINC001169126417 969434716 /nfs/dbraw/zinc/43/47/16/969434716.db2.gz SVFJJDXQYBLDIK-ITGUQSILSA-N 2 1 236.359 1.334 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(C1)CCOC3)C2 ZINC001169126417 969434721 /nfs/dbraw/zinc/43/47/21/969434721.db2.gz SVFJJDXQYBLDIK-ITGUQSILSA-N 2 1 236.359 1.334 20 0 BDADMP CC(C)[N@H+](CCCO)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139416 969445680 /nfs/dbraw/zinc/44/56/80/969445680.db2.gz BXTHOBPLALBGLF-WDNDVIMCSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[N@@H+](CCCO)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139416 969445690 /nfs/dbraw/zinc/44/56/90/969445690.db2.gz BXTHOBPLALBGLF-WDNDVIMCSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](CCCO)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139416 969445705 /nfs/dbraw/zinc/44/57/05/969445705.db2.gz BXTHOBPLALBGLF-WDNDVIMCSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](CCCO)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139416 969445714 /nfs/dbraw/zinc/44/57/14/969445714.db2.gz BXTHOBPLALBGLF-WDNDVIMCSA-N 2 1 240.391 1.704 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1cccnc1C[NH3+])C2 ZINC001169111366 969447055 /nfs/dbraw/zinc/44/70/55/969447055.db2.gz PDDHEYPNTGHCJE-CNDDSTCGSA-N 2 1 246.358 1.577 20 0 BDADMP COC(C)(C)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001209408934 969473801 /nfs/dbraw/zinc/47/38/01/969473801.db2.gz HMIAZPMBTZZSQE-TXEJJXNPSA-N 2 1 226.364 1.295 20 0 BDADMP CC[NH+]1CCC([NH2+]CCOc2ccccn2)CC1 ZINC001169230565 969503591 /nfs/dbraw/zinc/50/35/91/969503591.db2.gz FXNUIOCWSFFDRT-UHFFFAOYSA-N 2 1 249.358 1.534 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC001169266184 969522976 /nfs/dbraw/zinc/52/29/76/969522976.db2.gz TUWLQWOKVCDPJR-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H](OC)CC2)CC1 ZINC001169266184 969522980 /nfs/dbraw/zinc/52/29/80/969522980.db2.gz TUWLQWOKVCDPJR-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([NH+]2CC(C3COC3)C2)CC1 ZINC001169244221 969527944 /nfs/dbraw/zinc/52/79/44/969527944.db2.gz IQIMQPNDRULHJF-UHFFFAOYSA-N 2 1 224.348 1.049 20 0 BDADMP CSC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209729975 969584435 /nfs/dbraw/zinc/58/44/35/969584435.db2.gz CNUVNHFUXQFDAJ-UHFFFAOYSA-N 2 1 237.372 1.822 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001209729525 969584571 /nfs/dbraw/zinc/58/45/71/969584571.db2.gz NFCFEZNBHZDPRH-AWEZNQCLSA-N 2 1 247.342 1.497 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001209729525 969584579 /nfs/dbraw/zinc/58/45/79/969584579.db2.gz NFCFEZNBHZDPRH-AWEZNQCLSA-N 2 1 247.342 1.497 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001209729665 969587885 /nfs/dbraw/zinc/58/78/85/969587885.db2.gz QPOHQTKHBMWDPP-CQSZACIVSA-N 2 1 247.342 1.639 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001209729665 969587891 /nfs/dbraw/zinc/58/78/91/969587891.db2.gz QPOHQTKHBMWDPP-CQSZACIVSA-N 2 1 247.342 1.639 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254381912 969595192 /nfs/dbraw/zinc/59/51/92/969595192.db2.gz ZIIUQBHBTJLOBJ-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254381912 969595199 /nfs/dbraw/zinc/59/51/99/969595199.db2.gz ZIIUQBHBTJLOBJ-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254381912 969595204 /nfs/dbraw/zinc/59/52/04/969595204.db2.gz ZIIUQBHBTJLOBJ-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCCOC1 ZINC001254389622 969606527 /nfs/dbraw/zinc/60/65/27/969606527.db2.gz RBWJBVDMTUTWTI-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254388751 969607873 /nfs/dbraw/zinc/60/78/73/969607873.db2.gz HWXINKHEZNNVSV-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254388751 969607878 /nfs/dbraw/zinc/60/78/78/969607878.db2.gz HWXINKHEZNNVSV-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254388751 969607894 /nfs/dbraw/zinc/60/78/94/969607894.db2.gz HWXINKHEZNNVSV-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)CCO)CC1 ZINC001254500724 969661257 /nfs/dbraw/zinc/66/12/57/969661257.db2.gz KCMKTAGYCHIHSD-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)N(CCC[NH3+])[C@H]1CCC[N@@H+](C)CC1 ZINC001254501832 969668794 /nfs/dbraw/zinc/66/87/94/969668794.db2.gz YUOYCCUDMMSFNA-ZDUSSCGKSA-N 2 1 227.396 1.530 20 0 BDADMP CC(C)[N@H+](CCC[NH3+])[C@H]1CCC[NH+](C)CC1 ZINC001254501832 969668808 /nfs/dbraw/zinc/66/88/08/969668808.db2.gz YUOYCCUDMMSFNA-ZDUSSCGKSA-N 3 1 227.396 1.530 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCC[NH+](C)CC1 ZINC001254501832 969668814 /nfs/dbraw/zinc/66/88/14/969668814.db2.gz YUOYCCUDMMSFNA-ZDUSSCGKSA-N 3 1 227.396 1.530 20 0 BDADMP CC(C)[NH+](CCC[NH3+])[C@H]1CCC[N@H+](C)CC1 ZINC001254501832 969668828 /nfs/dbraw/zinc/66/88/28/969668828.db2.gz YUOYCCUDMMSFNA-ZDUSSCGKSA-N 3 1 227.396 1.530 20 0 BDADMP CC(C)[NH+](CCC[NH3+])[C@H]1CCC[N@@H+](C)CC1 ZINC001254501832 969668836 /nfs/dbraw/zinc/66/88/36/969668836.db2.gz YUOYCCUDMMSFNA-ZDUSSCGKSA-N 3 1 227.396 1.530 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC001254502534 969668906 /nfs/dbraw/zinc/66/89/06/969668906.db2.gz FKMWYZUPZOSYSQ-IHRRRGAJSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254504433 969675686 /nfs/dbraw/zinc/67/56/86/969675686.db2.gz VMRHBLYMRBPTJL-CHWSQXEVSA-N 2 1 248.374 1.482 20 0 BDADMP C[N@H+]1CCC[C@@H](N(CC[NH3+])c2ccccn2)CC1 ZINC001254506449 969675824 /nfs/dbraw/zinc/67/58/24/969675824.db2.gz SNKFBJNCSUVPAD-CYBMUJFWSA-N 2 1 248.374 1.331 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@](C)(CO)C2)CC1 ZINC001254515978 969678334 /nfs/dbraw/zinc/67/83/34/969678334.db2.gz IADOJILSEQSBCR-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001254515978 969678337 /nfs/dbraw/zinc/67/83/37/969678337.db2.gz IADOJILSEQSBCR-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001254515978 969678344 /nfs/dbraw/zinc/67/83/44/969678344.db2.gz IADOJILSEQSBCR-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H](CO)c2ccncc2)CC1 ZINC001254509327 969682685 /nfs/dbraw/zinc/68/26/85/969682685.db2.gz YXFGAMDVDCNXOJ-KBPBESRZSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](CO)c2ccncc2)CC1 ZINC001254509327 969682691 /nfs/dbraw/zinc/68/26/91/969682691.db2.gz YXFGAMDVDCNXOJ-KBPBESRZSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C)(O)CC2)CC1 ZINC001254515835 969690268 /nfs/dbraw/zinc/69/02/68/969690268.db2.gz DUPCMJLMTYUYFZ-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP COCC[N@@H+](C(C)C)[C@H]1CCC[NH+](C)CC1 ZINC001254524243 969713013 /nfs/dbraw/zinc/71/30/13/969713013.db2.gz VKQQGLZKWCSMCN-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP COCC[NH+](C(C)C)[C@H]1CCC[N@H+](C)CC1 ZINC001254524243 969713024 /nfs/dbraw/zinc/71/30/24/969713024.db2.gz VKQQGLZKWCSMCN-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP COCC[NH+](C(C)C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524243 969713035 /nfs/dbraw/zinc/71/30/35/969713035.db2.gz VKQQGLZKWCSMCN-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@H]1CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254534236 969725167 /nfs/dbraw/zinc/72/51/67/969725167.db2.gz UWVQFITZLMXOCY-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP COC[C@H]1CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254534236 969725177 /nfs/dbraw/zinc/72/51/77/969725177.db2.gz UWVQFITZLMXOCY-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP COC[C@H]1CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254534236 969725184 /nfs/dbraw/zinc/72/51/84/969725184.db2.gz UWVQFITZLMXOCY-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001254530186 969732279 /nfs/dbraw/zinc/73/22/79/969732279.db2.gz UUSLPJQMXHYPPQ-ZDEQEGDKSA-N 2 1 226.339 1.618 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001254530186 969732286 /nfs/dbraw/zinc/73/22/86/969732286.db2.gz UUSLPJQMXHYPPQ-ZDEQEGDKSA-N 2 1 226.339 1.618 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001254530186 969732291 /nfs/dbraw/zinc/73/22/91/969732291.db2.gz UUSLPJQMXHYPPQ-ZDEQEGDKSA-N 2 1 226.339 1.618 20 0 BDADMP C[N@H+]1CC[C@H](CN[C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254836491 969798398 /nfs/dbraw/zinc/79/83/98/969798398.db2.gz LZWWNUQSCAKIOB-KGLIPLIRSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CC3CCN(CC3)C2)C1 ZINC001254836491 969798403 /nfs/dbraw/zinc/79/84/03/969798403.db2.gz LZWWNUQSCAKIOB-KGLIPLIRSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CC3CCN(CC3)C2)C1 ZINC001254836491 969798407 /nfs/dbraw/zinc/79/84/07/969798407.db2.gz LZWWNUQSCAKIOB-KGLIPLIRSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H](CN[C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254836493 969799738 /nfs/dbraw/zinc/79/97/38/969799738.db2.gz LZWWNUQSCAKIOB-UONOGXRCSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC3CCN(CC3)C2)C1 ZINC001254836493 969799745 /nfs/dbraw/zinc/79/97/45/969799745.db2.gz LZWWNUQSCAKIOB-UONOGXRCSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC3CCN(CC3)C2)C1 ZINC001254836493 969799751 /nfs/dbraw/zinc/79/97/51/969799751.db2.gz LZWWNUQSCAKIOB-UONOGXRCSA-N 2 1 237.391 1.012 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CC3CCN(CC3)C2)C1 ZINC001254845524 969803390 /nfs/dbraw/zinc/80/33/90/969803390.db2.gz OIMILGLZHUHYOW-IHRRRGAJSA-N 2 1 237.391 1.330 20 0 BDADMP CC1([NH3+])CC[NH+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254847230 969804021 /nfs/dbraw/zinc/80/40/21/969804021.db2.gz GCPAGVAMINAKIA-CYBMUJFWSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851979 969806478 /nfs/dbraw/zinc/80/64/78/969806478.db2.gz DUZRWAULZJASAB-CYBMUJFWSA-N 3 1 248.374 1.431 20 0 BDADMP C1C[C@H]2CN([C@H]3CC4CC[NH+](CC4)C3)CC[N@H+]2C1 ZINC001254862060 969811969 /nfs/dbraw/zinc/81/19/69/969811969.db2.gz GXZZMBVGLQQODB-GJZGRUSLSA-N 2 1 249.402 1.251 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254937229 969823785 /nfs/dbraw/zinc/82/37/85/969823785.db2.gz ZVYUVJCYMOMBOX-GMTAPVOTSA-N 2 1 224.348 1.271 20 0 BDADMP CCC(=O)Nc1cc(-n2ccc(C[NH3+])c2)cc[nH+]1 ZINC001169727346 969827224 /nfs/dbraw/zinc/82/72/24/969827224.db2.gz XGSSLPJVSBKCCP-UHFFFAOYSA-N 2 1 244.298 1.680 20 0 BDADMP Cc1nc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c[nH]1 ZINC001276682440 969868367 /nfs/dbraw/zinc/86/83/67/969868367.db2.gz MAXILIPUJJOGIR-CQSZACIVSA-N 2 1 248.374 1.636 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476002 969899921 /nfs/dbraw/zinc/89/99/21/969899921.db2.gz QTLJQMJQCUVQPT-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001210476002 969899923 /nfs/dbraw/zinc/89/99/23/969899923.db2.gz QTLJQMJQCUVQPT-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001210476002 969899925 /nfs/dbraw/zinc/89/99/25/969899925.db2.gz QTLJQMJQCUVQPT-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476002 969899927 /nfs/dbraw/zinc/89/99/27/969899927.db2.gz QTLJQMJQCUVQPT-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001210474223 969901172 /nfs/dbraw/zinc/90/11/72/969901172.db2.gz DXWWCQRCDOWHLE-LBPRGKRZSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001210474223 969901178 /nfs/dbraw/zinc/90/11/78/969901178.db2.gz DXWWCQRCDOWHLE-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001210474223 969901182 /nfs/dbraw/zinc/90/11/82/969901182.db2.gz DXWWCQRCDOWHLE-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CCN(CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001210474223 969901186 /nfs/dbraw/zinc/90/11/86/969901186.db2.gz DXWWCQRCDOWHLE-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CN1CCC[C@H]2C[N@H+](C3CCSCC3)C[C@@H]21 ZINC001255094766 969931544 /nfs/dbraw/zinc/93/15/44/969931544.db2.gz KHHZPYNSOPVNQW-AAEUAGOBSA-N 2 1 240.416 1.908 20 0 BDADMP [NH2+]=CN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255100385 969935516 /nfs/dbraw/zinc/93/55/16/969935516.db2.gz YBSLLOQFJTVHCE-LBPRGKRZSA-N 2 1 203.289 1.458 20 0 BDADMP [NH2+]=CN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255100385 969935522 /nfs/dbraw/zinc/93/55/22/969935522.db2.gz YBSLLOQFJTVHCE-LBPRGKRZSA-N 2 1 203.289 1.458 20 0 BDADMP CCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001255313470 970080050 /nfs/dbraw/zinc/08/00/50/970080050.db2.gz MIZOXBDVEJLINP-NEPJUHHUSA-N 2 1 244.379 1.825 20 0 BDADMP CCCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001255318568 970089198 /nfs/dbraw/zinc/08/91/98/970089198.db2.gz AFHSGRNKXSKPIE-GFCCVEGCSA-N 2 1 216.369 1.469 20 0 BDADMP COc1cc2[nH+]ccn2cc1N(C)C(C)(C)C[NH3+] ZINC001170059956 970114958 /nfs/dbraw/zinc/11/49/58/970114958.db2.gz ZOPXRWMMSJGJCL-UHFFFAOYSA-N 2 1 248.330 1.516 20 0 BDADMP C[N@H+]1CC[C@H](N(CCC[NH3+])C2CCCCC2)C1 ZINC001255411504 970132354 /nfs/dbraw/zinc/13/23/54/970132354.db2.gz GVVKTWQXUIBGDX-AWEZNQCLSA-N 2 1 239.407 1.674 20 0 BDADMP CN1CC[C@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001255411504 970132356 /nfs/dbraw/zinc/13/23/56/970132356.db2.gz GVVKTWQXUIBGDX-AWEZNQCLSA-N 2 1 239.407 1.674 20 0 BDADMP C[N@H+]1CC[C@@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001255415791 970134944 /nfs/dbraw/zinc/13/49/44/970134944.db2.gz QFODLSGZGQLOCR-LLVKDONJSA-N 2 1 230.315 1.372 20 0 BDADMP COc1ccc(N[C@@H]2CC[N@@H+](C)C2)cc1C[NH3+] ZINC001255422483 970147720 /nfs/dbraw/zinc/14/77/20/970147720.db2.gz RFDOGZQZYFXPON-GFCCVEGCSA-N 2 1 235.331 1.270 20 0 BDADMP C[N@H+]1CC[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001255436113 970166179 /nfs/dbraw/zinc/16/61/79/970166179.db2.gz PCNFBMSLGUCKSK-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH2+]Cc1cccc(N[C@@H]2CC[N@@H+](C)C2)c1 ZINC001255438422 970169833 /nfs/dbraw/zinc/16/98/33/970169833.db2.gz LVQLFEVUMKNPIC-CYBMUJFWSA-N 2 1 219.332 1.522 20 0 BDADMP C[N@H+]1CCC[C@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001255466455 970196378 /nfs/dbraw/zinc/19/63/78/970196378.db2.gz RHIBDJABWYCIHK-NSHDSACASA-N 2 1 244.342 1.762 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@@H]1CCC[NH+](C)C1 ZINC001255470327 970197737 /nfs/dbraw/zinc/19/77/37/970197737.db2.gz KWPPMKYGPULJPP-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCCN[C@@H]1CCC[N@H+](C)C1 ZINC001255470327 970197738 /nfs/dbraw/zinc/19/77/38/970197738.db2.gz KWPPMKYGPULJPP-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCCN[C@@H]1CCC[N@@H+](C)C1 ZINC001255470327 970197746 /nfs/dbraw/zinc/19/77/46/970197746.db2.gz KWPPMKYGPULJPP-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[N@H+](C)CCC[NH2+][C@@H]1CCCN(C)C1 ZINC001255470327 970197751 /nfs/dbraw/zinc/19/77/51/970197751.db2.gz KWPPMKYGPULJPP-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCCN(C)C1 ZINC001255470327 970197755 /nfs/dbraw/zinc/19/77/55/970197755.db2.gz KWPPMKYGPULJPP-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP C[N@H+]1CCC[C@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001255472170 970202473 /nfs/dbraw/zinc/20/24/73/970202473.db2.gz PQTPXEPZYFCBNX-LBPRGKRZSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2ccc(C[NH3+])nc2)C1 ZINC001255475860 970207826 /nfs/dbraw/zinc/20/78/26/970207826.db2.gz XCKRXRRFSVXLII-LBPRGKRZSA-N 2 1 220.320 1.046 20 0 BDADMP CCN(C)c1cc[nH+]c(NC2(C)CC[NH2+]CC2)n1 ZINC001157396608 970244527 /nfs/dbraw/zinc/24/45/27/970244527.db2.gz AIAHDFLSBPNRDH-UHFFFAOYSA-N 2 1 249.362 1.487 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1C ZINC001255488818 970246172 /nfs/dbraw/zinc/24/61/72/970246172.db2.gz HMLVDHNWQDVQLA-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1C ZINC001255488818 970246190 /nfs/dbraw/zinc/24/61/90/970246190.db2.gz HMLVDHNWQDVQLA-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1C ZINC001255488818 970246203 /nfs/dbraw/zinc/24/62/03/970246203.db2.gz HMLVDHNWQDVQLA-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP CCCN(CCC[NH+](C)C)[C@H]1CCC[N@@H+](C)C1 ZINC001255494587 970260599 /nfs/dbraw/zinc/26/05/99/970260599.db2.gz IZHYHFDBGKKZHL-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP C[C@@H]1CC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001170103098 970296652 /nfs/dbraw/zinc/29/66/52/970296652.db2.gz XKWNBUMGJWOIGM-GMTAPVOTSA-N 2 1 223.320 1.106 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170106123 970308196 /nfs/dbraw/zinc/30/81/96/970308196.db2.gz ULNXHZOQKPXXFR-IJLUTSLNSA-N 2 1 242.363 1.435 20 0 BDADMP CCN(c1[nH+]ccc2[nH]ccc21)C1C[NH+](C)C1 ZINC001157453423 970318286 /nfs/dbraw/zinc/31/82/86/970318286.db2.gz DZHMJXQQZJICEE-UHFFFAOYSA-N 2 1 230.315 1.703 20 0 BDADMP CCN(c1cc(N(C)C)cc[nH+]1)C1C[NH+](C)C1 ZINC001157455799 970323935 /nfs/dbraw/zinc/32/39/35/970323935.db2.gz TXSTUUCLERLULE-UHFFFAOYSA-N 2 1 234.347 1.288 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001170125086 970368758 /nfs/dbraw/zinc/36/87/58/970368758.db2.gz JMWQNJHVEAWRMC-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@H]1COCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674302 970451358 /nfs/dbraw/zinc/45/13/58/970451358.db2.gz ODSDQOGAHLNEAA-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1COCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674302 970451372 /nfs/dbraw/zinc/45/13/72/970451372.db2.gz ODSDQOGAHLNEAA-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1COCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674302 970451378 /nfs/dbraw/zinc/45/13/78/970451378.db2.gz ODSDQOGAHLNEAA-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1COCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674302 970451387 /nfs/dbraw/zinc/45/13/87/970451387.db2.gz ODSDQOGAHLNEAA-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001170151701 970458833 /nfs/dbraw/zinc/45/88/33/970458833.db2.gz RQWIVSVMXOAUJZ-KBPBESRZSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001255774576 970479064 /nfs/dbraw/zinc/47/90/64/970479064.db2.gz IFSPAJGQXDIGHY-TZMCWYRMSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001255774576 970479076 /nfs/dbraw/zinc/47/90/76/970479076.db2.gz IFSPAJGQXDIGHY-TZMCWYRMSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@@H]([NH2+]CCSC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400382454 970584992 /nfs/dbraw/zinc/58/49/92/970584992.db2.gz KRZNXXGLCFVOLF-HTQZYQBOSA-N 2 1 242.310 1.970 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1CCC[NH2+]1 ZINC000400383364 970585241 /nfs/dbraw/zinc/58/52/41/970585241.db2.gz XOVHSNACCVRKJE-SRVKXCTJSA-N 2 1 210.321 1.409 20 0 BDADMP COC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073669 970641524 /nfs/dbraw/zinc/64/15/24/970641524.db2.gz YIIFTHUMHWFENQ-UHFFFAOYSA-N 2 1 238.375 1.724 20 0 BDADMP FC[C@H]1[C@@H]2C[N@@H+](C3CC[NH+](C4CC4)CC3)C[C@H]12 ZINC001256080836 970648624 /nfs/dbraw/zinc/64/86/24/970648624.db2.gz DIZFALQNPIQALU-ZSOGYDGISA-N 2 1 238.350 1.761 20 0 BDADMP FC[C@H]1[C@@H]2C[N@H+](C3CC[NH+](C4CC4)CC3)C[C@H]12 ZINC001256080836 970648634 /nfs/dbraw/zinc/64/86/34/970648634.db2.gz DIZFALQNPIQALU-ZSOGYDGISA-N 2 1 238.350 1.761 20 0 BDADMP CC(C)Nc1cc[nH+]c(NCC2C[NH+](C)C2)n1 ZINC001170250091 970650993 /nfs/dbraw/zinc/65/09/93/970650993.db2.gz XSPLSWSSUMGAMS-UHFFFAOYSA-N 2 1 235.335 1.270 20 0 BDADMP Cc1ccnc(CC[NH2+]C2CC[NH+](C)CC2)c1 ZINC001256196487 970689097 /nfs/dbraw/zinc/68/90/97/970689097.db2.gz OLLAGXHEERLLCX-UHFFFAOYSA-N 2 1 233.359 1.616 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2C[C@H](F)C2)CC1 ZINC001256195138 970690473 /nfs/dbraw/zinc/69/04/73/970690473.db2.gz BPTDMXSXNHORAV-MGCOHNPYSA-N 2 1 200.301 1.418 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(c3ccccn3)CC2)CC1 ZINC001256198016 970692023 /nfs/dbraw/zinc/69/20/23/970692023.db2.gz YCOLDXRKJPIBFC-UHFFFAOYSA-N 2 1 245.370 1.797 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@]1(C)O ZINC001256203310 970702425 /nfs/dbraw/zinc/70/24/25/970702425.db2.gz VHLNKZOZLQKUMB-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@]1(C)O ZINC001256203310 970702430 /nfs/dbraw/zinc/70/24/30/970702430.db2.gz VHLNKZOZLQKUMB-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001256202767 970705437 /nfs/dbraw/zinc/70/54/37/970705437.db2.gz LWFYLCMBHRKURC-LBPRGKRZSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001256202767 970705448 /nfs/dbraw/zinc/70/54/48/970705448.db2.gz LWFYLCMBHRKURC-LBPRGKRZSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1C[C@@H]2CCCN(C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001256209479 970714383 /nfs/dbraw/zinc/71/43/83/970714383.db2.gz WWMYIKVGCUSDIU-GXTWGEPZSA-N 2 1 237.391 1.107 20 0 BDADMP CCC[N@@H+](C1CCOCC1)C1CCN(C)CC1 ZINC001256210851 970715977 /nfs/dbraw/zinc/71/59/77/970715977.db2.gz MIFUUMTUWCLJDF-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(C3CC[NH+](C)CC3)C2)C1 ZINC001256211389 970718049 /nfs/dbraw/zinc/71/80/49/970718049.db2.gz VULIADGHULVSQF-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP CN1CCC([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001256211389 970718058 /nfs/dbraw/zinc/71/80/58/970718058.db2.gz VULIADGHULVSQF-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP CN1CCC([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001256211389 970718066 /nfs/dbraw/zinc/71/80/66/970718066.db2.gz VULIADGHULVSQF-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP CCc1cc(-n2[nH]c(=O)c(CC[NH3+])c2C)cc[nH+]1 ZINC001170344488 970737031 /nfs/dbraw/zinc/73/70/31/970737031.db2.gz NEVKCDBLIZVIJH-UHFFFAOYSA-N 2 1 246.314 1.345 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401867999 970744774 /nfs/dbraw/zinc/74/47/74/970744774.db2.gz AEFOSSZTUWHUGF-JHJVBQTASA-N 2 1 226.364 1.484 20 0 BDADMP Cc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)no1 ZINC001222532456 972555297 /nfs/dbraw/zinc/55/52/97/972555297.db2.gz LYVARKMHQXDKAM-UHFFFAOYSA-N 2 1 227.283 1.246 20 0 BDADMP CCSC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545362 972628260 /nfs/dbraw/zinc/62/82/60/972628260.db2.gz JQBHIRVQVIQIHL-AXFHLTTASA-N 2 1 216.394 1.940 20 0 BDADMP CCSC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545362 972628269 /nfs/dbraw/zinc/62/82/69/972628269.db2.gz JQBHIRVQVIQIHL-AXFHLTTASA-N 2 1 216.394 1.940 20 0 BDADMP C(C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21)[C@H]1CCCC[NH2+]1 ZINC001222614138 972604762 /nfs/dbraw/zinc/60/47/62/972604762.db2.gz AFNVOTASZVGOJY-BFHYXJOUSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21)[C@H]1CCCC[NH2+]1 ZINC001222614138 972604769 /nfs/dbraw/zinc/60/47/69/972604769.db2.gz AFNVOTASZVGOJY-BFHYXJOUSA-N 3 1 237.391 1.202 20 0 BDADMP c1nnc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC001327562244 972638859 /nfs/dbraw/zinc/63/88/59/972638859.db2.gz KKIWOSHTZMRBQC-NEPJUHHUSA-N 2 1 249.362 1.016 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246546723 972648717 /nfs/dbraw/zinc/64/87/17/972648717.db2.gz NKGJSTIHSGRWQH-JSGCOSHPSA-N 2 1 233.359 1.826 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001327710481 972708498 /nfs/dbraw/zinc/70/84/98/972708498.db2.gz GIGZFWGEWTXHGL-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001327710481 972708511 /nfs/dbraw/zinc/70/85/11/972708511.db2.gz GIGZFWGEWTXHGL-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001327710481 972708518 /nfs/dbraw/zinc/70/85/18/972708518.db2.gz GIGZFWGEWTXHGL-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](O)CC2)CC[NH2+]1 ZINC001246551911 972729479 /nfs/dbraw/zinc/72/94/79/972729479.db2.gz NVVWNFMKJMAQBY-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cncs1 ZINC001327841416 972753551 /nfs/dbraw/zinc/75/35/51/972753551.db2.gz WRKCZAXHSSIBPP-BDAKNGLRSA-N 2 1 213.350 1.792 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC001327838031 972755027 /nfs/dbraw/zinc/75/50/27/972755027.db2.gz CPXHZNNKZOLGSP-AVGNSLFASA-N 2 1 227.396 1.304 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC001327838031 972755045 /nfs/dbraw/zinc/75/50/45/972755045.db2.gz CPXHZNNKZOLGSP-AVGNSLFASA-N 3 1 227.396 1.304 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC001327838031 972755054 /nfs/dbraw/zinc/75/50/54/972755054.db2.gz CPXHZNNKZOLGSP-AVGNSLFASA-N 3 1 227.396 1.304 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC001327839921 972755388 /nfs/dbraw/zinc/75/53/88/972755388.db2.gz ORWLWUBCOUZRLI-HZSPNIEDSA-N 3 1 241.423 1.885 20 0 BDADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246556290 972761121 /nfs/dbraw/zinc/76/11/21/972761121.db2.gz IXXPWVDMGUPLNV-YNEHKIRRSA-N 2 1 228.380 1.595 20 0 BDADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246556290 972761126 /nfs/dbraw/zinc/76/11/26/972761126.db2.gz IXXPWVDMGUPLNV-YNEHKIRRSA-N 2 1 228.380 1.595 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246558488 972779525 /nfs/dbraw/zinc/77/95/25/972779525.db2.gz QIMBFKPUARULJU-JHJVBQTASA-N 2 1 237.391 1.188 20 0 BDADMP C[C@H]1C[N@H+](C2CCN(C)CC2)CCC[C@@H]1C[NH3+] ZINC001246569684 972823234 /nfs/dbraw/zinc/82/32/34/972823234.db2.gz RVCLFHKNEKGQDS-QWHCGFSZSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@@H]1C[NH3+] ZINC001246569684 972823238 /nfs/dbraw/zinc/82/32/38/972823238.db2.gz RVCLFHKNEKGQDS-QWHCGFSZSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@@H]1C[NH3+] ZINC001246569684 972823243 /nfs/dbraw/zinc/82/32/43/972823243.db2.gz RVCLFHKNEKGQDS-QWHCGFSZSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001246570765 972844164 /nfs/dbraw/zinc/84/41/64/972844164.db2.gz VJOFQHFFTRSHNG-VXGBXAGGSA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1F ZINC001246574310 972866638 /nfs/dbraw/zinc/86/66/38/972866638.db2.gz XVKZVVFJKUBAEQ-ZLOUSURVSA-N 2 1 242.338 1.458 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1F ZINC001246574310 972866641 /nfs/dbraw/zinc/86/66/41/972866641.db2.gz XVKZVVFJKUBAEQ-ZLOUSURVSA-N 2 1 242.338 1.458 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580430 972930358 /nfs/dbraw/zinc/93/03/58/972930358.db2.gz GNZKRAHJJXCWBR-UPJWGTAASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCSC2)C1 ZINC001246588008 972984235 /nfs/dbraw/zinc/98/42/35/972984235.db2.gz XLPXRXKDLLQNIL-RYUDHWBXSA-N 2 1 228.405 1.943 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589917 972988260 /nfs/dbraw/zinc/98/82/60/972988260.db2.gz GNZKRAHJJXCWBR-XQQFMLRXSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589917 972988248 /nfs/dbraw/zinc/98/82/48/972988248.db2.gz GNZKRAHJJXCWBR-XQQFMLRXSA-N 3 1 225.380 1.188 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592584 973000746 /nfs/dbraw/zinc/00/07/46/973000746.db2.gz KOEIVQJJRLZAJY-YIYPIFLZSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592584 973000749 /nfs/dbraw/zinc/00/07/49/973000749.db2.gz KOEIVQJJRLZAJY-YIYPIFLZSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2CCCC2)CC[C@H]1F ZINC001246593417 973006784 /nfs/dbraw/zinc/00/67/84/973006784.db2.gz WYEWHTZIFRPTIW-MNOVXSKESA-N 2 1 200.301 1.690 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2CCCC2)CC[C@H]1F ZINC001246593417 973006794 /nfs/dbraw/zinc/00/67/94/973006794.db2.gz WYEWHTZIFRPTIW-MNOVXSKESA-N 2 1 200.301 1.690 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246661853 973075620 /nfs/dbraw/zinc/07/56/20/973075620.db2.gz HAMCSUBNZRACDO-UXXRCYHCSA-N 3 1 249.402 1.473 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246661853 973075631 /nfs/dbraw/zinc/07/56/31/973075631.db2.gz HAMCSUBNZRACDO-UXXRCYHCSA-N 3 1 249.402 1.473 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C[NH2+]1 ZINC001246769992 973089323 /nfs/dbraw/zinc/08/93/23/973089323.db2.gz MCQSAYOBCKQKOL-HHHUOAJASA-N 2 1 212.312 1.559 20 0 BDADMP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@@H]3CCC[C@@H](C3)C1)CCN2 ZINC001246833673 973129188 /nfs/dbraw/zinc/12/91/88/973129188.db2.gz PKHVNOFIWYOMPX-MJBXVCDLSA-N 2 1 249.402 1.202 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246854868 973168912 /nfs/dbraw/zinc/16/89/12/973168912.db2.gz REOXLGWWSJJIJP-RVMXOQNASA-N 2 1 224.348 1.367 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1CCC(F)(F)CC1)C2 ZINC001246862856 973177838 /nfs/dbraw/zinc/17/78/38/973177838.db2.gz SAZOWGWQQWLPOH-KOLCDFICSA-N 2 1 230.302 1.987 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1CCSCC1)C2 ZINC001246865293 973208319 /nfs/dbraw/zinc/20/83/19/973208319.db2.gz ZFUQINYPPRRZGC-MWLCHTKSSA-N 2 1 212.362 1.305 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001328677784 973257468 /nfs/dbraw/zinc/25/74/68/973257468.db2.gz UXKDAXWNHBHPSV-VIFPVBQESA-N 2 1 227.739 1.680 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCc3ccc(N)cc3C2)CC[NH2+]1 ZINC001246905445 973383955 /nfs/dbraw/zinc/38/39/55/973383955.db2.gz MJJXOBFVMVQHFO-IAQYHMDHSA-N 2 1 245.370 1.767 20 0 BDADMP CC[C@H](N)C[N@@H+](C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246973194 973711767 /nfs/dbraw/zinc/71/17/67/973711767.db2.gz IFFGHHZYOVEZFY-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246973194 973711776 /nfs/dbraw/zinc/71/17/76/973711776.db2.gz IFFGHHZYOVEZFY-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246981806 973752372 /nfs/dbraw/zinc/75/23/72/973752372.db2.gz SCOGNXVJJKQFLV-QJPTWQEYSA-N 2 1 216.369 1.859 20 0 BDADMP NCc1cc(NC[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC001171333076 973860798 /nfs/dbraw/zinc/86/07/98/973860798.db2.gz AXYALODFFWTBQB-NSHDSACASA-N 2 1 220.320 1.094 20 0 BDADMP C[N@H+]1CC[C@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224704449 973871581 /nfs/dbraw/zinc/87/15/81/973871581.db2.gz YXEVTHAJHSAGNP-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CC[C@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224704449 973871586 /nfs/dbraw/zinc/87/15/86/973871586.db2.gz YXEVTHAJHSAGNP-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CC[C@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224704449 973871590 /nfs/dbraw/zinc/87/15/90/973871590.db2.gz YXEVTHAJHSAGNP-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP CCCCC[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148642075 973872683 /nfs/dbraw/zinc/87/26/83/973872683.db2.gz DPSHCTCJFGMMBB-UHFFFAOYSA-N 2 1 243.395 1.224 20 0 BDADMP [NH3+]CC1([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171418306 974032117 /nfs/dbraw/zinc/03/21/17/974032117.db2.gz IZAYBHIJYSABJL-NSHDSACASA-N 2 1 234.318 1.764 20 0 BDADMP Cn1cncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099460 974340239 /nfs/dbraw/zinc/34/02/39/974340239.db2.gz IAKYWOJILNKNLX-XYYAHUGASA-N 2 1 248.374 1.525 20 0 BDADMP C[NH+](C)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099474 974341063 /nfs/dbraw/zinc/34/10/63/974341063.db2.gz IGCUJBNSOKVXGQ-XYYAHUGASA-N 2 1 225.380 1.153 20 0 BDADMP CN(C)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099474 974341070 /nfs/dbraw/zinc/34/10/70/974341070.db2.gz IGCUJBNSOKVXGQ-XYYAHUGASA-N 2 1 225.380 1.153 20 0 BDADMP CN(C)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099474 974341078 /nfs/dbraw/zinc/34/10/78/974341078.db2.gz IGCUJBNSOKVXGQ-XYYAHUGASA-N 2 1 225.380 1.153 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCOCC1)C2 ZINC001172100627 974347195 /nfs/dbraw/zinc/34/71/95/974347195.db2.gz QUARMVGQULBICB-ZSOGYDGISA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCOCC1)C2 ZINC001172100627 974347203 /nfs/dbraw/zinc/34/72/03/974347203.db2.gz QUARMVGQULBICB-ZSOGYDGISA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H]([NH3+])C1)C2 ZINC001172103763 974364169 /nfs/dbraw/zinc/36/41/69/974364169.db2.gz XMLPJIYEGNAGHA-WUHRBBMRSA-N 2 1 223.364 1.035 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001172107942 974367933 /nfs/dbraw/zinc/36/79/33/974367933.db2.gz LZODCYMUYVRLNO-YIYPIFLZSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCO1)C2 ZINC001172108178 974368637 /nfs/dbraw/zinc/36/86/37/974368637.db2.gz QZVKSYPGBUIWRZ-YVECIDJPSA-N 2 1 224.348 1.380 20 0 BDADMP CCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)COC1 ZINC001172108172 974368694 /nfs/dbraw/zinc/36/86/94/974368694.db2.gz QVNDUHKMWPJDRG-XYYAHUGASA-N 2 1 238.375 1.770 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001172108828 974375172 /nfs/dbraw/zinc/37/51/72/974375172.db2.gz ZVQGZVJQMBKEEN-WZNRFSEPSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001172108828 974375188 /nfs/dbraw/zinc/37/51/88/974375188.db2.gz ZVQGZVJQMBKEEN-WZNRFSEPSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218700 974445598 /nfs/dbraw/zinc/44/55/98/974445598.db2.gz BQCYQANVBSNFTG-ZRRUAHMRSA-N 2 1 238.375 1.898 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223309 974460880 /nfs/dbraw/zinc/46/08/80/974460880.db2.gz CAAFRXNOSHFUGE-WYTNZGFTSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223309 974460891 /nfs/dbraw/zinc/46/08/91/974460891.db2.gz CAAFRXNOSHFUGE-WYTNZGFTSA-N 2 1 238.375 1.626 20 0 BDADMP CCC[N@@H+](CCC[NH3+])C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172232677 974473160 /nfs/dbraw/zinc/47/31/60/974473160.db2.gz KRSBBZNMKNSPNB-YHWZYXNKSA-N 2 1 224.348 1.533 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCO)C[C@H]1C ZINC001172365440 974642868 /nfs/dbraw/zinc/64/28/68/974642868.db2.gz BPQZXKJSYXUTJI-MGPQQGTHSA-N 2 1 242.407 1.715 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172433685 974719658 /nfs/dbraw/zinc/71/96/58/974719658.db2.gz RZVRCUHGLHRQIT-LBPRGKRZSA-N 2 1 237.347 1.556 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172433685 974719663 /nfs/dbraw/zinc/71/96/63/974719663.db2.gz RZVRCUHGLHRQIT-LBPRGKRZSA-N 2 1 237.347 1.556 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCOC(C)C ZINC001172432620 974719944 /nfs/dbraw/zinc/71/99/44/974719944.db2.gz BSDWIXPCSIVAQR-LBPRGKRZSA-N 2 1 239.363 1.985 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172389672 974738124 /nfs/dbraw/zinc/73/81/24/974738124.db2.gz PSHQNAFSUBBKEL-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172434942 974741454 /nfs/dbraw/zinc/74/14/54/974741454.db2.gz WBUYIGOWMZLDEK-JTQLQIEISA-N 2 1 202.342 1.517 20 0 BDADMP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172457516 974821234 /nfs/dbraw/zinc/82/12/34/974821234.db2.gz PRNJHWHIUASIQL-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP [NH3+]CC1([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716638 974904115 /nfs/dbraw/zinc/90/41/15/974904115.db2.gz ROGZWLBSABNVFV-LBPRGKRZSA-N 2 1 236.746 1.888 20 0 BDADMP C[NH+]1CCC(CCN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC001332400047 975096143 /nfs/dbraw/zinc/09/61/43/975096143.db2.gz HKYZSUQESDVBJF-CYBMUJFWSA-N 2 1 239.407 1.448 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@H]1CC[NH+](CC)C1 ZINC001173350542 975296878 /nfs/dbraw/zinc/29/68/78/975296878.db2.gz PQNZZMDDIFTUPX-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001173365468 975345538 /nfs/dbraw/zinc/34/55/38/975345538.db2.gz ISCPINRJQWWBIP-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CCN(CCC[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC001173368728 975352776 /nfs/dbraw/zinc/35/27/76/975352776.db2.gz RAUYCVWWAQREBQ-ZDUSSCGKSA-N 2 1 227.396 1.354 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC001333040150 975383526 /nfs/dbraw/zinc/38/35/26/975383526.db2.gz KDVMSSSERKTRTB-NSHDSACASA-N 2 1 238.379 1.385 20 0 BDADMP Cc1cc(NC(=O)C2(C[NH+](C)C)CC2)cc(C)[nH+]1 ZINC001333054316 975384857 /nfs/dbraw/zinc/38/48/57/975384857.db2.gz NZDNKZXFMYAHOC-UHFFFAOYSA-N 2 1 247.342 1.401 20 0 BDADMP COC(=O)CCCC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001173448133 975389675 /nfs/dbraw/zinc/38/96/75/975389675.db2.gz JHLQNCIIESCARX-JTQLQIEISA-N 2 1 228.336 1.189 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2(C[NH3+])CC2)C1 ZINC001173648781 975509506 /nfs/dbraw/zinc/50/95/06/975509506.db2.gz HGGGQURDVWNBHY-GHMZBOCLSA-N 2 1 240.347 1.189 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC001333645281 975921722 /nfs/dbraw/zinc/92/17/22/975921722.db2.gz DSHWCLPJLMPSPF-LBPRGKRZSA-N 2 1 249.358 1.140 20 0 BDADMP CC[N@@H+](CCNc1cc[nH+]cc1CO)C(C)C ZINC001334143311 976327834 /nfs/dbraw/zinc/32/78/34/976327834.db2.gz XTUWYNMHLFPJPQ-UHFFFAOYSA-N 2 1 237.347 1.138 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001335288892 976927002 /nfs/dbraw/zinc/92/70/02/976927002.db2.gz JJSNBIUMPPIXPM-BXKDBHETSA-N 2 1 236.363 1.443 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001335288895 976927425 /nfs/dbraw/zinc/92/74/25/976927425.db2.gz JJSNBIUMPPIXPM-SKDRFNHKSA-N 2 1 236.363 1.443 20 0 BDADMP CSC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001335433202 977057554 /nfs/dbraw/zinc/05/75/54/977057554.db2.gz RWNLROOTPBGSLK-VXGBXAGGSA-N 2 1 246.420 1.032 20 0 BDADMP OCC[N@H+]1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1 ZINC001336423994 977676953 /nfs/dbraw/zinc/67/69/53/977676953.db2.gz QYXGTMKZXWTNRQ-KBPBESRZSA-N 2 1 247.342 1.117 20 0 BDADMP O[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012241 977837652 /nfs/dbraw/zinc/83/76/52/977837652.db2.gz WOOLQQKTBCZPKB-LBPRGKRZSA-N 2 1 231.299 1.520 20 0 BDADMP c1c(C[NH+]2CC3(C2)CCOC3)[nH]c2cc[nH+]cc12 ZINC001232012260 977837877 /nfs/dbraw/zinc/83/78/77/977837877.db2.gz XIMPEEBJALNRNT-UHFFFAOYSA-N 2 1 243.310 1.785 20 0 BDADMP c1c(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232015698 977846755 /nfs/dbraw/zinc/84/67/55/977846755.db2.gz LHNZIOOYKLNAAQ-IINYFYTJSA-N 2 1 243.310 1.784 20 0 BDADMP CC(C)OCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277658813 978048008 /nfs/dbraw/zinc/04/80/08/978048008.db2.gz WVEBJGLOOQPDAK-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H](Nc1cc[nH+]cc1)[C@@H](C)[NH+]1CCOCC1 ZINC001336908750 978049898 /nfs/dbraw/zinc/04/98/98/978049898.db2.gz HWYPCBBHURAQNM-VXGBXAGGSA-N 2 1 235.331 1.025 20 0 BDADMP C[N@H+]1C[C@H]2C[C@@H](C1)N(c1cc[nH+]cc1)C2 ZINC001277693764 978204877 /nfs/dbraw/zinc/20/48/77/978204877.db2.gz LGQSCLILUKABKO-PWSUYJOCSA-N 2 1 203.289 1.222 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000690455923 978286722 /nfs/dbraw/zinc/28/67/22/978286722.db2.gz YILJHWZIRSRSHU-NWDGAFQWSA-N 2 1 212.337 1.084 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)C1 ZINC000328456597 978352417 /nfs/dbraw/zinc/35/24/17/978352417.db2.gz FMOBDDWADZGDLS-AWEZNQCLSA-N 2 1 239.407 1.546 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnoc2)CC1 ZINC001206305442 978388068 /nfs/dbraw/zinc/38/80/68/978388068.db2.gz ZLIWGCOEPHOTNL-LBPRGKRZSA-N 2 1 223.320 1.626 20 0 BDADMP C[C@H]1C[N@H+](CCNc2cc[nH+]cc2)[C@@H](C)CO1 ZINC001337726653 978472950 /nfs/dbraw/zinc/47/29/50/978472950.db2.gz QLNZHSGLTJRISW-RYUDHWBXSA-N 2 1 235.331 1.025 20 0 BDADMP C[C@H]1C[N@@H+](CCNc2cc[nH+]cc2)[C@@H](C)CO1 ZINC001337726653 978472953 /nfs/dbraw/zinc/47/29/53/978472953.db2.gz QLNZHSGLTJRISW-RYUDHWBXSA-N 2 1 235.331 1.025 20 0 BDADMP Nc1nc(NC[C@H]2CCCC[N@@H+]2C2CC2)cc[nH+]1 ZINC001337853885 978528844 /nfs/dbraw/zinc/52/88/44/978528844.db2.gz HTBJNLXXOAWNMR-LLVKDONJSA-N 2 1 247.346 1.488 20 0 BDADMP Nc1nc(NC[C@H]2CCCC[N@H+]2C2CC2)cc[nH+]1 ZINC001337853885 978528846 /nfs/dbraw/zinc/52/88/46/978528846.db2.gz HTBJNLXXOAWNMR-LLVKDONJSA-N 2 1 247.346 1.488 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001338548919 978705343 /nfs/dbraw/zinc/70/53/43/978705343.db2.gz DVEXRBVXQBZJHL-MELADBBJSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001338548919 978705350 /nfs/dbraw/zinc/70/53/50/978705350.db2.gz DVEXRBVXQBZJHL-MELADBBJSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000069890419 978785213 /nfs/dbraw/zinc/78/52/13/978785213.db2.gz NOVIOXLJPNQALI-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CCCNCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001339223716 978820430 /nfs/dbraw/zinc/82/04/30/978820430.db2.gz LPSREINZOVIVFL-YHWZYXNKSA-N 2 1 225.380 1.106 20 0 BDADMP CCC[NH2+]CCNCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001339223716 978820433 /nfs/dbraw/zinc/82/04/33/978820433.db2.gz LPSREINZOVIVFL-YHWZYXNKSA-N 2 1 225.380 1.106 20 0 BDADMP CCCC[N@@H+](C)CCNc1nccnc1C[NH3+] ZINC001339579327 978874510 /nfs/dbraw/zinc/87/45/10/978874510.db2.gz RORJPYQMBXXFBY-UHFFFAOYSA-N 2 1 237.351 1.079 20 0 BDADMP C(C1CCSCC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038602 978957315 /nfs/dbraw/zinc/95/73/15/978957315.db2.gz ORPFVPVEOGJIEI-NWDGAFQWSA-N 2 1 226.389 1.566 20 0 BDADMP C(C1CCSCC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038602 978957327 /nfs/dbraw/zinc/95/73/27/978957327.db2.gz ORPFVPVEOGJIEI-NWDGAFQWSA-N 2 1 226.389 1.566 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC001235156237 978981335 /nfs/dbraw/zinc/98/13/35/978981335.db2.gz NHQKHUSSZYMOCH-RWMBFGLXSA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001235156237 978981338 /nfs/dbraw/zinc/98/13/38/978981338.db2.gz NHQKHUSSZYMOCH-RWMBFGLXSA-N 2 1 206.333 1.766 20 0 BDADMP OCCCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151637 978982453 /nfs/dbraw/zinc/98/24/53/978982453.db2.gz IRULNPOCHSCDCR-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153222 978984829 /nfs/dbraw/zinc/98/48/29/978984829.db2.gz QWSXDBBBIVBRTQ-AWEZNQCLSA-N 3 1 239.407 1.450 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CC1Cc3ccccc3C1)C2 ZINC001235166850 978988277 /nfs/dbraw/zinc/98/82/77/978988277.db2.gz WEUXXMHFSVKPRS-JKSUJKDBSA-N 2 1 242.366 1.825 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235183542 978993026 /nfs/dbraw/zinc/99/30/26/978993026.db2.gz IUOMJYCHRVZGOT-UONOGXRCSA-N 3 1 249.402 1.060 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235183542 978993036 /nfs/dbraw/zinc/99/30/36/978993036.db2.gz IUOMJYCHRVZGOT-UONOGXRCSA-N 3 1 249.402 1.060 20 0 BDADMP CC1(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC[NH2+]CC1 ZINC001235209309 978997164 /nfs/dbraw/zinc/99/71/64/978997164.db2.gz MHEWRNHGCDWXJH-OLZOCXBDSA-N 3 1 237.391 1.060 20 0 BDADMP CC1(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC[NH2+]CC1 ZINC001235209309 978997171 /nfs/dbraw/zinc/99/71/71/978997171.db2.gz MHEWRNHGCDWXJH-OLZOCXBDSA-N 3 1 237.391 1.060 20 0 BDADMP OCC[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001235492465 979054930 /nfs/dbraw/zinc/05/49/30/979054930.db2.gz WLUQPEVQEMDNOE-UHFFFAOYSA-N 2 1 238.375 1.319 20 0 BDADMP OCC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001235492465 979054935 /nfs/dbraw/zinc/05/49/35/979054935.db2.gz WLUQPEVQEMDNOE-UHFFFAOYSA-N 2 1 238.375 1.319 20 0 BDADMP CN1CC[N@@H+](CCCC[NH3+])C[C@@H]1c1ccccc1 ZINC001235675367 979112219 /nfs/dbraw/zinc/11/22/19/979112219.db2.gz WTGLGOKGAZTSSA-OAHLLOKOSA-N 2 1 247.386 1.714 20 0 BDADMP CC(C)[NH+]1CCC(C[N@H+](C)C[C@@H](C)N)CC1 ZINC001235676539 979117332 /nfs/dbraw/zinc/11/73/32/979117332.db2.gz SJXGUHNOTIVGGL-GFCCVEGCSA-N 2 1 227.396 1.386 20 0 BDADMP CC(C)[NH+]1CCC(CN(C)C[C@@H](C)[NH3+])CC1 ZINC001235676539 979117338 /nfs/dbraw/zinc/11/73/38/979117338.db2.gz SJXGUHNOTIVGGL-GFCCVEGCSA-N 2 1 227.396 1.386 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001235679931 979120928 /nfs/dbraw/zinc/12/09/28/979120928.db2.gz SGJNBTXINUXCHS-CQSZACIVSA-N 2 1 239.407 1.676 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001235679931 979120932 /nfs/dbraw/zinc/12/09/32/979120932.db2.gz SGJNBTXINUXCHS-CQSZACIVSA-N 2 1 239.407 1.676 20 0 BDADMP CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCOCC1 ZINC001235694146 979122594 /nfs/dbraw/zinc/12/25/94/979122594.db2.gz MRAZOOOFPQNNDJ-LBPRGKRZSA-N 2 1 242.363 1.212 20 0 BDADMP CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCOCC1 ZINC001235694146 979122598 /nfs/dbraw/zinc/12/25/98/979122598.db2.gz MRAZOOOFPQNNDJ-LBPRGKRZSA-N 2 1 242.363 1.212 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001235695449 979123100 /nfs/dbraw/zinc/12/31/00/979123100.db2.gz UEZXIHLIXDSEBE-CYBMUJFWSA-N 2 1 219.332 1.957 20 0 BDADMP CC[C@@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235768295 979142883 /nfs/dbraw/zinc/14/28/83/979142883.db2.gz FNGPUUVEVCPTGR-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC001235768295 979142885 /nfs/dbraw/zinc/14/28/85/979142885.db2.gz FNGPUUVEVCPTGR-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235891222 979182638 /nfs/dbraw/zinc/18/26/38/979182638.db2.gz DJUYLAJKQIFKCX-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H]([NH3+])CN1CC[C@@H]1CCC[NH2+]C1 ZINC001235891222 979182647 /nfs/dbraw/zinc/18/26/47/979182647.db2.gz DJUYLAJKQIFKCX-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H](N)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235891222 979182656 /nfs/dbraw/zinc/18/26/56/979182656.db2.gz DJUYLAJKQIFKCX-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H](N)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235891222 979182659 /nfs/dbraw/zinc/18/26/59/979182659.db2.gz DJUYLAJKQIFKCX-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@@H+](CCCC[NH3+])CC(=O)OC(C)(C)C ZINC001235947533 979219142 /nfs/dbraw/zinc/21/91/42/979219142.db2.gz DVHYGTSTBOUJCU-UHFFFAOYSA-N 2 1 230.352 1.389 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981806 979244699 /nfs/dbraw/zinc/24/46/99/979244699.db2.gz XJVVNXLEFHKQMF-MFKMUULPSA-N 2 1 224.348 1.415 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981806 979244710 /nfs/dbraw/zinc/24/47/10/979244710.db2.gz XJVVNXLEFHKQMF-MFKMUULPSA-N 2 1 224.348 1.415 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC001235980494 979246112 /nfs/dbraw/zinc/24/61/12/979246112.db2.gz PRVNLFAJTBQILH-TUAOUCFPSA-N 2 1 208.305 1.102 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC001235980494 979246119 /nfs/dbraw/zinc/24/61/19/979246119.db2.gz PRVNLFAJTBQILH-TUAOUCFPSA-N 2 1 208.305 1.102 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC001235979919 979250548 /nfs/dbraw/zinc/25/05/48/979250548.db2.gz OGZJPHMCEQNCEG-KBPBESRZSA-N 2 1 216.328 1.652 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC001235979919 979250561 /nfs/dbraw/zinc/25/05/61/979250561.db2.gz OGZJPHMCEQNCEG-KBPBESRZSA-N 2 1 216.328 1.652 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235980523 979252896 /nfs/dbraw/zinc/25/28/96/979252896.db2.gz MZAHEWNWAPOQKY-KGLIPLIRSA-N 2 1 216.328 1.918 20 0 BDADMP Cc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235980523 979252905 /nfs/dbraw/zinc/25/29/05/979252905.db2.gz MZAHEWNWAPOQKY-KGLIPLIRSA-N 2 1 216.328 1.918 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001235981109 979260644 /nfs/dbraw/zinc/26/06/44/979260644.db2.gz UNNJOCKWFFSBOW-AVGNSLFASA-N 2 1 206.333 1.766 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@H]3C[C@@]3([NH3+])C2)c1C ZINC001236024953 979320302 /nfs/dbraw/zinc/32/03/02/979320302.db2.gz STEOZFWHPYXTKA-BXUZGUMPSA-N 2 1 247.342 1.240 20 0 BDADMP COc1ccc(C[C@@H]2CCC[N@H+](CCN)C2)cc1 ZINC001236093631 979386166 /nfs/dbraw/zinc/38/61/66/979386166.db2.gz VDCFZHFXZACAPD-AWEZNQCLSA-N 2 1 248.370 1.908 20 0 BDADMP COc1ccc(C[C@@H]2CCC[N@@H+](CCN)C2)cc1 ZINC001236093631 979386181 /nfs/dbraw/zinc/38/61/81/979386181.db2.gz VDCFZHFXZACAPD-AWEZNQCLSA-N 2 1 248.370 1.908 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)CCCCCC[NH3+] ZINC000689966400 979425971 /nfs/dbraw/zinc/42/59/71/979425971.db2.gz KQHJCIOSKAXSQE-UHFFFAOYSA-N 2 1 230.396 1.846 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC[NH3+] ZINC001236253397 979470048 /nfs/dbraw/zinc/47/00/48/979470048.db2.gz NCBBDSLKSXVEBW-HNNXBMFYSA-N 2 1 247.386 1.542 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=O)c1ccccc1C[NH3+] ZINC001341683349 979520432 /nfs/dbraw/zinc/52/04/32/979520432.db2.gz GWKAIYPWDZMLCY-UHFFFAOYSA-N 2 1 249.358 1.215 20 0 BDADMP c1cnn(CCC[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313939 979523046 /nfs/dbraw/zinc/52/30/46/979523046.db2.gz AQUORPAMAHWMHR-OKILXGFUSA-N 2 1 248.374 1.205 20 0 BDADMP C[C@@H]1[C@@H](N)CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001236416328 979591758 /nfs/dbraw/zinc/59/17/58/979591758.db2.gz SUTBFJIHUSZERL-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H](N)CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001236416328 979591764 /nfs/dbraw/zinc/59/17/64/979591764.db2.gz SUTBFJIHUSZERL-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH2+]CCC[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551401 979634010 /nfs/dbraw/zinc/63/40/10/979634010.db2.gz PYYWPJKZHFYMBN-HDJSIYSDSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]1CN(Cc2c[nH]c3cc[nH+]cc23)C[C@@H](C)[NH2+]1 ZINC001236575907 979646256 /nfs/dbraw/zinc/64/62/56/979646256.db2.gz BRAZNJAIDIVMSM-GHMZBOCLSA-N 2 1 244.342 1.745 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)[nH]n1 ZINC001205255039 979736243 /nfs/dbraw/zinc/73/62/43/979736243.db2.gz FGOMBJJZSSMUEP-GFCCVEGCSA-N 2 1 222.336 1.421 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)[nH]n1 ZINC001205255039 979736255 /nfs/dbraw/zinc/73/62/55/979736255.db2.gz FGOMBJJZSSMUEP-GFCCVEGCSA-N 2 1 222.336 1.421 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)CC1COC(C)(C)OC1 ZINC001236861169 979767130 /nfs/dbraw/zinc/76/71/30/979767130.db2.gz UXNRVLURIQDPDK-NSHDSACASA-N 2 1 230.352 1.055 20 0 BDADMP C[C@H]([NH3+])CN(C)Cc1c[nH]c2cc[nH+]cc12 ZINC001236900581 979786513 /nfs/dbraw/zinc/78/65/13/979786513.db2.gz TXIKIHJVRGLNGR-VIFPVBQESA-N 2 1 218.304 1.342 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cnccn2)CC1 ZINC001205263833 979813367 /nfs/dbraw/zinc/81/33/67/979813367.db2.gz CORTZAKFRSWKDI-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cnccn2)CC1 ZINC001205263833 979813370 /nfs/dbraw/zinc/81/33/70/979813370.db2.gz CORTZAKFRSWKDI-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP COc1cccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205265702 979816299 /nfs/dbraw/zinc/81/62/99/979816299.db2.gz QTUFYBGRRYOECT-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205265702 979816308 /nfs/dbraw/zinc/81/63/08/979816308.db2.gz QTUFYBGRRYOECT-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205265704 979817736 /nfs/dbraw/zinc/81/77/36/979817736.db2.gz QTUFYBGRRYOECT-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205265704 979817739 /nfs/dbraw/zinc/81/77/39/979817739.db2.gz QTUFYBGRRYOECT-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP C1=C2NCC[N@H+](CCC3CC[NH2+]CC3)[C@H]2CCC1 ZINC001237219098 979849024 /nfs/dbraw/zinc/84/90/24/979849024.db2.gz KBVGFYKDARCKMW-HNNXBMFYSA-N 2 1 249.402 1.718 20 0 BDADMP CCC1(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237376075 979878531 /nfs/dbraw/zinc/87/85/31/979878531.db2.gz OPGQHGWMTMTZAU-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP Oc1cccnc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237395515 979885768 /nfs/dbraw/zinc/88/57/68/979885768.db2.gz XQBNRFAMEYKVKE-NWDGAFQWSA-N 2 1 247.342 1.361 20 0 BDADMP Oc1cccnc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237395515 979885770 /nfs/dbraw/zinc/88/57/70/979885770.db2.gz XQBNRFAMEYKVKE-NWDGAFQWSA-N 2 1 247.342 1.361 20 0 BDADMP Nc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237415557 979890189 /nfs/dbraw/zinc/89/01/89/979890189.db2.gz QAWIEBKTJWYRNX-DZGCQCFKSA-N 2 1 245.370 1.843 20 0 BDADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+]1CCCCC1 ZINC001278146449 980050704 /nfs/dbraw/zinc/05/07/04/980050704.db2.gz NLCJTVRZIGMCSO-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238107765 980156079 /nfs/dbraw/zinc/15/60/79/980156079.db2.gz RPZIUXSNIOSZIP-RISCZKNCSA-N 2 1 245.326 1.537 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238107765 980156087 /nfs/dbraw/zinc/15/60/87/980156087.db2.gz RPZIUXSNIOSZIP-RISCZKNCSA-N 2 1 245.326 1.537 20 0 BDADMP C[C@@]1(O)CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238114298 980160059 /nfs/dbraw/zinc/16/00/59/980160059.db2.gz REKLDQGXWWRTEW-CQSZACIVSA-N 2 1 245.326 1.681 20 0 BDADMP C[C@@]1(O)CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238114298 980160063 /nfs/dbraw/zinc/16/00/63/980160063.db2.gz REKLDQGXWWRTEW-CQSZACIVSA-N 2 1 245.326 1.681 20 0 BDADMP CC[N@@H+](Cc1cccc2c[nH+]cn21)CC(C)(C)O ZINC001238119999 980168490 /nfs/dbraw/zinc/16/84/90/980168490.db2.gz RUWUINDGIBSTCA-UHFFFAOYSA-N 2 1 247.342 1.927 20 0 BDADMP C[NH2+][C@H](C)CCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001345481470 980619082 /nfs/dbraw/zinc/61/90/82/980619082.db2.gz CFIUKDADVANOFW-LOWVWBTDSA-N 2 1 225.380 1.057 20 0 BDADMP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](C)C2)c1 ZINC001346192557 980780408 /nfs/dbraw/zinc/78/04/08/980780408.db2.gz WCOQLLBKGXNOIA-UKRRQHHQSA-N 2 1 248.370 1.570 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC001192139617 981133305 /nfs/dbraw/zinc/13/33/05/981133305.db2.gz HEUGPRPFDKYZKV-ZDUSSCGKSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)CC[C@H]1C[NH3+] ZINC001205601366 981158369 /nfs/dbraw/zinc/15/83/69/981158369.db2.gz DWEOKYCKCCLERH-PWSUYJOCSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnoc2)CC[C@@H]1C[NH3+] ZINC001205601648 981161304 /nfs/dbraw/zinc/16/13/04/981161304.db2.gz FTJHRIKTYKAFTL-CMPLNLGQSA-N 2 1 223.320 1.481 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)o1 ZINC001205637842 981380365 /nfs/dbraw/zinc/38/03/65/981380365.db2.gz JLMKVTXZWQFZSS-ZYHUDNBSSA-N 2 1 237.347 1.790 20 0 BDADMP c1ccc([C@@H]2CC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC001580892652 981726170 /nfs/dbraw/zinc/72/61/70/981726170.db2.gz AZNHFPXJRPPUDM-HNNXBMFYSA-N 2 1 245.370 1.339 20 0 BDADMP c1[nH+]c2n(c1CN[C@]13CCC[C@H]1[NH2+]CC3)CCC2 ZINC001580897038 981732791 /nfs/dbraw/zinc/73/27/91/981732791.db2.gz BZBYRNCTODSKQI-OCCSQVGLSA-N 2 1 246.358 1.204 20 0 BDADMP C[N@H+]1CCc2ncnc(C=C3CC[NH2+]CC3)c2C1 ZINC001240875666 981924005 /nfs/dbraw/zinc/92/40/05/981924005.db2.gz RNELLNCNSPWZRE-UHFFFAOYSA-N 2 1 244.342 1.231 20 0 BDADMP Nc1cc(-c2ccc3c(c2)C[NH2+]CC3)cc[nH+]1 ZINC001241162835 982304775 /nfs/dbraw/zinc/30/47/75/982304775.db2.gz NHWFUYHIMMEBSS-UHFFFAOYSA-N 2 1 225.295 1.977 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205763907 982414415 /nfs/dbraw/zinc/41/44/15/982414415.db2.gz SPMJKCQAFATPLA-NSHDSACASA-N 3 1 249.349 1.421 20 0 BDADMP [NH3+]CCCCCCN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205763907 982414420 /nfs/dbraw/zinc/41/44/20/982414420.db2.gz SPMJKCQAFATPLA-NSHDSACASA-N 2 1 249.349 1.421 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCC1 ZINC001352041101 982444301 /nfs/dbraw/zinc/44/43/01/982444301.db2.gz HJTYIKFPTSKNEM-QWHCGFSZSA-N 2 1 238.375 1.439 20 0 BDADMP COC1(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCC1 ZINC001352041101 982444310 /nfs/dbraw/zinc/44/43/10/982444310.db2.gz HJTYIKFPTSKNEM-QWHCGFSZSA-N 2 1 238.375 1.439 20 0 BDADMP COC1(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCC1 ZINC001352041101 982444322 /nfs/dbraw/zinc/44/43/22/982444322.db2.gz HJTYIKFPTSKNEM-QWHCGFSZSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1c(N)cc[nH+]c1C1=CC[N@@H+](C)CC1 ZINC001241308064 982450507 /nfs/dbraw/zinc/45/05/07/982450507.db2.gz FWXZMQPURSXPDE-UHFFFAOYSA-N 2 1 203.289 1.691 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@H]2CCCCO2)C1 ZINC001205803931 982557297 /nfs/dbraw/zinc/55/72/97/982557297.db2.gz KRSVEXGXNPSDLT-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@H]2CCCCO2)C1 ZINC001205803931 982557305 /nfs/dbraw/zinc/55/73/05/982557305.db2.gz KRSVEXGXNPSDLT-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CC1CCOCC1 ZINC000337288846 982570441 /nfs/dbraw/zinc/57/04/41/982570441.db2.gz BFUXFBYGONNFBS-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP Cc1c[nH+]c(C2=CCC[N@@H+](C)C2)cc1N ZINC001241567367 982813957 /nfs/dbraw/zinc/81/39/57/982813957.db2.gz YKJKTQSZRRIUBK-UHFFFAOYSA-N 2 1 203.289 1.691 20 0 BDADMP Cc1c[nH+]c(C2=CCC[N@H+](C)C2)cc1N ZINC001241567367 982813961 /nfs/dbraw/zinc/81/39/61/982813961.db2.gz YKJKTQSZRRIUBK-UHFFFAOYSA-N 2 1 203.289 1.691 20 0 BDADMP C[NH+](C)CC(C)(C)CNc1cc(N)[nH+]cn1 ZINC000082427808 983069206 /nfs/dbraw/zinc/06/92/06/983069206.db2.gz JUXNEEDHDVZMCY-UHFFFAOYSA-N 2 1 223.324 1.059 20 0 BDADMP C[NH+](C)CC(C)(C)CNc1cc(N)nc[nH+]1 ZINC000082427808 983069224 /nfs/dbraw/zinc/06/92/24/983069224.db2.gz JUXNEEDHDVZMCY-UHFFFAOYSA-N 2 1 223.324 1.059 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)Nc1nccnc1C[NH3+] ZINC001354198014 983190868 /nfs/dbraw/zinc/19/08/68/983190868.db2.gz CMWJXPLDIRJCPF-JTQLQIEISA-N 2 1 237.351 1.076 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001201629763 983359842 /nfs/dbraw/zinc/35/98/42/983359842.db2.gz AWGZBGDWFJSUOE-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001201629763 983359845 /nfs/dbraw/zinc/35/98/45/983359845.db2.gz AWGZBGDWFJSUOE-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001201629763 983359850 /nfs/dbraw/zinc/35/98/50/983359850.db2.gz AWGZBGDWFJSUOE-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP OC1(C[NH2+][C@@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC001357125922 983665544 /nfs/dbraw/zinc/66/55/44/983665544.db2.gz KZQWXDBFVNAKCL-GFCCVEGCSA-N 2 1 249.358 1.483 20 0 BDADMP C[C@H](CCCO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575952542 984137826 /nfs/dbraw/zinc/13/78/26/984137826.db2.gz FKOLFVPXTKTCAW-SFYZADRCSA-N 2 1 228.258 1.017 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2C1 ZINC001202610340 984124860 /nfs/dbraw/zinc/12/48/60/984124860.db2.gz YLGHBTRIRYDUTI-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001202610340 984124868 /nfs/dbraw/zinc/12/48/68/984124868.db2.gz YLGHBTRIRYDUTI-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001202610340 984124876 /nfs/dbraw/zinc/12/48/76/984124876.db2.gz YLGHBTRIRYDUTI-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CC[NH2+]1 ZINC001577400951 984195883 /nfs/dbraw/zinc/19/58/83/984195883.db2.gz PYCIURMXSSHCOU-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP COC(=O)/C(C)=C\C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001578768639 984225673 /nfs/dbraw/zinc/22/56/73/984225673.db2.gz GDUMMJBTMYDOET-WDZFZDKYSA-N 2 1 240.347 1.037 20 0 BDADMP COC(C)(C)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001578893218 984227324 /nfs/dbraw/zinc/22/73/24/984227324.db2.gz ZRDYEUBRBVIYLF-WDEREUQCSA-N 2 1 212.337 1.095 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001578893218 984227336 /nfs/dbraw/zinc/22/73/36/984227336.db2.gz ZRDYEUBRBVIYLF-WDEREUQCSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001579002772 984251472 /nfs/dbraw/zinc/25/14/72/984251472.db2.gz UEOYHPVDAXNNPO-UONOGXRCSA-N 2 1 249.358 1.486 20 0 BDADMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2O)c1C ZINC001579760124 984305728 /nfs/dbraw/zinc/30/57/28/984305728.db2.gz AALNJWCBQGMCRJ-UONOGXRCSA-N 2 1 234.343 1.116 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOCOC ZINC001274929301 984407668 /nfs/dbraw/zinc/40/76/68/984407668.db2.gz LBPFYRSJNAIMGA-YHWZYXNKSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH2+]1 ZINC000718223579 984409786 /nfs/dbraw/zinc/40/97/86/984409786.db2.gz CCCTUOKZWCZENX-GLBINXAQSA-N 2 1 236.359 1.236 20 0 BDADMP CC[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275086442 984481065 /nfs/dbraw/zinc/48/10/65/984481065.db2.gz MDAFHVGXKCUJIW-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275108111 984489936 /nfs/dbraw/zinc/48/99/36/984489936.db2.gz KYEYGXSIZONUJZ-BETUJISGSA-N 2 1 225.380 1.107 20 0 BDADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275117875 984493042 /nfs/dbraw/zinc/49/30/42/984493042.db2.gz NXGDCHDRRNUYCT-OKILXGFUSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@@H+]1CCC2(C[NH+](CC3CCCC3)C2)C1 ZINC001275153571 984504677 /nfs/dbraw/zinc/50/46/77/984504677.db2.gz MGMZYRSXBRCAHM-UHFFFAOYSA-N 2 1 208.349 1.814 20 0 BDADMP C[N@H+]1CCC2(C[NH+](CC3CCCC3)C2)C1 ZINC001275153571 984504684 /nfs/dbraw/zinc/50/46/84/984504684.db2.gz MGMZYRSXBRCAHM-UHFFFAOYSA-N 2 1 208.349 1.814 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](c3cnccn3)C2)C1 ZINC001580387561 984512976 /nfs/dbraw/zinc/51/29/76/984512976.db2.gz MUNLOEYOZJHTKG-YNEHKIRRSA-N 2 1 246.358 1.393 20 0 BDADMP Cn1cccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275234773 984525818 /nfs/dbraw/zinc/52/58/18/984525818.db2.gz VEVXRPJVUOOWJW-UHFFFAOYSA-N 2 1 247.386 1.943 20 0 BDADMP O[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC001580879710 984602453 /nfs/dbraw/zinc/60/24/53/984602453.db2.gz CXELTZKZHJHUDA-LSDHHAIUSA-N 2 1 246.354 1.376 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC001577687895 984636054 /nfs/dbraw/zinc/63/60/54/984636054.db2.gz UZAQQMQNWUCZBT-NWDGAFQWSA-N 3 1 227.396 1.304 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccncc3)C[C@H]2CC1 ZINC001275885519 984706950 /nfs/dbraw/zinc/70/69/50/984706950.db2.gz HYBGUMPOYWSRFB-GASCZTMLSA-N 2 1 245.370 1.855 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2CC1 ZINC001275885519 984706968 /nfs/dbraw/zinc/70/69/68/984706968.db2.gz HYBGUMPOYWSRFB-GASCZTMLSA-N 2 1 245.370 1.855 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2CC1 ZINC001275885519 984707004 /nfs/dbraw/zinc/70/70/04/984707004.db2.gz HYBGUMPOYWSRFB-GASCZTMLSA-N 2 1 245.370 1.855 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccn3)C[C@H]2CC1 ZINC001275871390 984716450 /nfs/dbraw/zinc/71/64/50/984716450.db2.gz YUAKTQDWCICUGV-OKILXGFUSA-N 2 1 245.370 1.855 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CC1 ZINC001275871390 984716484 /nfs/dbraw/zinc/71/64/84/984716484.db2.gz YUAKTQDWCICUGV-OKILXGFUSA-N 2 1 245.370 1.855 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2CC1 ZINC001275871390 984716530 /nfs/dbraw/zinc/71/65/30/984716530.db2.gz YUAKTQDWCICUGV-OKILXGFUSA-N 2 1 245.370 1.855 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001577771074 984780253 /nfs/dbraw/zinc/78/02/53/984780253.db2.gz RLMXAONJPZUEKK-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP CCNC(=O)C[N@H+](CC)CC(CC)(CC)C[NH3+] ZINC001577789391 984787971 /nfs/dbraw/zinc/78/79/71/984787971.db2.gz VAORVGIDCLGEEM-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP CCNC(=O)C[N@@H+](CC)CC(CC)(CC)C[NH3+] ZINC001577789391 984787987 /nfs/dbraw/zinc/78/79/87/984787987.db2.gz VAORVGIDCLGEEM-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP C[N@H+]1CCCC2(CC[NH+](Cc3cnco3)CC2)C1 ZINC001276157291 984821286 /nfs/dbraw/zinc/82/12/86/984821286.db2.gz GONYQTDTQQNKFH-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP CCOC1CC([NH2+][C@H]2CC[NH2+][C@@H]2CC)C1 ZINC001578095505 984847906 /nfs/dbraw/zinc/84/79/06/984847906.db2.gz XHNRHHDWIAFKHT-HCWSGVFWSA-N 2 1 212.337 1.284 20 0 BDADMP CCOC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001578095587 984849068 /nfs/dbraw/zinc/84/90/68/984849068.db2.gz YGZGKXMHNOOHNM-QPCJGGDKSA-N 2 1 210.321 1.036 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578160962 984863646 /nfs/dbraw/zinc/86/36/46/984863646.db2.gz GBNWXJCJHRUQST-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CCOc1cncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC001578203975 984871764 /nfs/dbraw/zinc/87/17/64/984871764.db2.gz NACSWVWPPWERKI-XYPYZODXSA-N 2 1 221.304 1.060 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](COC)CC(C)C ZINC001578241548 984893109 /nfs/dbraw/zinc/89/31/09/984893109.db2.gz APGRGCVAPXRNQT-UPJWGTAASA-N 2 1 228.380 1.778 20 0 BDADMP CCn1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001578354153 984996770 /nfs/dbraw/zinc/99/67/70/984996770.db2.gz ZRMBUPGLDAEPMX-VXGBXAGGSA-N 2 1 236.363 1.320 20 0 BDADMP C[N@H+](CCC(=O)OC(C)(C)C)[C@H](C[NH3+])C1CC1 ZINC001578461394 985096027 /nfs/dbraw/zinc/09/60/27/985096027.db2.gz LZEKKPHWDWNSHN-LLVKDONJSA-N 2 1 242.363 1.387 20 0 BDADMP C[N@@H+](CCC(=O)OC(C)(C)C)[C@H](C[NH3+])C1CC1 ZINC001578461394 985096037 /nfs/dbraw/zinc/09/60/37/985096037.db2.gz LZEKKPHWDWNSHN-LLVKDONJSA-N 2 1 242.363 1.387 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[N@@H+](C)CC(C)(C)[NH3+])cn1 ZINC001578482246 985115400 /nfs/dbraw/zinc/11/54/00/985115400.db2.gz BICLQQKZNHMRIH-CMPLNLGQSA-N 2 1 236.363 1.193 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)CC(C)(C)CO ZINC001578486629 985120767 /nfs/dbraw/zinc/12/07/67/985120767.db2.gz SWXPWKZGDCCDSI-WDEREUQCSA-N 2 1 214.353 1.064 20 0 BDADMP C[N@H+](Cc1cnn2c1CCC2)CC1CC[NH2+]CC1 ZINC001578500682 985125994 /nfs/dbraw/zinc/12/59/94/985125994.db2.gz WIMDUOJLWHKIFB-UHFFFAOYSA-N 2 1 248.374 1.261 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001578520351 985133895 /nfs/dbraw/zinc/13/38/95/985133895.db2.gz ANHBHSXNTZAVFA-ZRGDOOIKSA-N 2 1 249.402 1.199 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001578520351 985133904 /nfs/dbraw/zinc/13/39/04/985133904.db2.gz ANHBHSXNTZAVFA-ZRGDOOIKSA-N 3 1 249.402 1.199 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001578520351 985133910 /nfs/dbraw/zinc/13/39/10/985133910.db2.gz ANHBHSXNTZAVFA-ZRGDOOIKSA-N 3 1 249.402 1.199 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@H]([NH3+])C3(C)C)[C@H]2C1 ZINC001578521177 985141893 /nfs/dbraw/zinc/14/18/93/985141893.db2.gz MJYGAVWFDYMWRC-PJSNJIKXSA-N 2 1 237.391 1.042 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001578524476 985146367 /nfs/dbraw/zinc/14/63/67/985146367.db2.gz XCNWFGHCTRXIDI-UONOGXRCSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001578524476 985146377 /nfs/dbraw/zinc/14/63/77/985146377.db2.gz XCNWFGHCTRXIDI-UONOGXRCSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)CC1 ZINC001578524476 985146391 /nfs/dbraw/zinc/14/63/91/985146391.db2.gz XCNWFGHCTRXIDI-UONOGXRCSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CCC[C@@]3(N)C2)CC1 ZINC001578524476 985146396 /nfs/dbraw/zinc/14/63/96/985146396.db2.gz XCNWFGHCTRXIDI-UONOGXRCSA-N 2 1 237.391 1.141 20 0 BDADMP C[N@H+]1CCC[C@@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC001578528486 985150980 /nfs/dbraw/zinc/15/09/80/985150980.db2.gz IBFZXSBRAMSIMY-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP CN1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C(C)(C)C1 ZINC001578536382 985167383 /nfs/dbraw/zinc/16/73/83/985167383.db2.gz OGKRHIVZPQBTGJ-NWDGAFQWSA-N 2 1 225.380 1.140 20 0 BDADMP CO[C@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000687191480 985255470 /nfs/dbraw/zinc/25/54/70/985255470.db2.gz BGWIHCSNOZIPHW-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccc(C)cc1C ZINC001578653105 985262070 /nfs/dbraw/zinc/26/20/70/985262070.db2.gz SSMTXCYWNJDTEW-AWEZNQCLSA-N 2 1 236.359 1.316 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccc(C)cc1C ZINC001578653105 985262094 /nfs/dbraw/zinc/26/20/94/985262094.db2.gz SSMTXCYWNJDTEW-AWEZNQCLSA-N 2 1 236.359 1.316 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC001578653697 985275697 /nfs/dbraw/zinc/27/56/97/985275697.db2.gz CFNSYNXCCFWOMY-AEGPPILISA-N 2 1 248.370 1.650 20 0 BDADMP C[C@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000688003954 985474711 /nfs/dbraw/zinc/47/47/11/985474711.db2.gz AVEWWLGKHXSYJY-ZZIFITQXSA-N 2 1 224.348 1.236 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578926869 985522303 /nfs/dbraw/zinc/52/23/03/985522303.db2.gz PCUZEAIJQKQMGW-AAEUAGOBSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000688053426 985538976 /nfs/dbraw/zinc/53/89/76/985538976.db2.gz NUJGDQGUDAVCPG-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCc2cn[nH]c2)CC[N@@H+]1C ZINC001459617361 985558055 /nfs/dbraw/zinc/55/80/55/985558055.db2.gz XBNNZRHVKKYSLG-DGCLKSJQSA-N 2 1 236.363 1.367 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCc2cn[nH]c2)CC[N@H+]1C ZINC001459617361 985558083 /nfs/dbraw/zinc/55/80/83/985558083.db2.gz XBNNZRHVKKYSLG-DGCLKSJQSA-N 2 1 236.363 1.367 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCc2cn[nH]c2)CC[NH+]1C ZINC001459617361 985558096 /nfs/dbraw/zinc/55/80/96/985558096.db2.gz XBNNZRHVKKYSLG-DGCLKSJQSA-N 2 1 236.363 1.367 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2cn[nH]c2)CC[NH+]1C ZINC001459617361 985558109 /nfs/dbraw/zinc/55/81/09/985558109.db2.gz XBNNZRHVKKYSLG-DGCLKSJQSA-N 2 1 236.363 1.367 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC001578961778 985564885 /nfs/dbraw/zinc/56/48/85/985564885.db2.gz SGLCQKZDAOTLPA-RWMBFGLXSA-N 2 1 228.380 1.635 20 0 BDADMP COCCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001578994412 985619975 /nfs/dbraw/zinc/61/99/75/985619975.db2.gz HWRIIOFXPCOQPW-QMMMGPOBSA-N 2 1 224.295 1.374 20 0 BDADMP COCC[C@H]([NH3+])C[N@@H+]1CC2(CCC2)[C@H]1C(C)C ZINC001579000040 985645237 /nfs/dbraw/zinc/64/52/37/985645237.db2.gz NHYSUUPKXLUVIN-QWHCGFSZSA-N 2 1 240.391 1.861 20 0 BDADMP COCC[C@H]([NH3+])C[N@H+]1CC2(CCC2)[C@H]1C(C)C ZINC001579000040 985645254 /nfs/dbraw/zinc/64/52/54/985645254.db2.gz NHYSUUPKXLUVIN-QWHCGFSZSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)O1 ZINC000688884130 985745844 /nfs/dbraw/zinc/74/58/44/985745844.db2.gz OOOHDXDSMMHNFT-YVECIDJPSA-N 2 1 226.364 1.674 20 0 BDADMP COc1cc(CC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)ccn1 ZINC001579150170 985815539 /nfs/dbraw/zinc/81/55/39/985815539.db2.gz GITUKQVYZUCDQM-YPMHNXCESA-N 2 1 249.358 1.220 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001579213338 985818370 /nfs/dbraw/zinc/81/83/70/985818370.db2.gz IPKJRVGLLJANON-NEPJUHHUSA-N 2 1 247.342 1.132 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001579213338 985818385 /nfs/dbraw/zinc/81/83/85/985818385.db2.gz IPKJRVGLLJANON-NEPJUHHUSA-N 2 1 247.342 1.132 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC001579454620 985939599 /nfs/dbraw/zinc/93/95/99/985939599.db2.gz PDFNKLJJPQBQRG-GRYCIOLGSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC001579454502 985939814 /nfs/dbraw/zinc/93/98/14/985939814.db2.gz HSIOMQXYYWYYHI-GRYCIOLGSA-N 2 1 228.380 1.181 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC001579454400 985945554 /nfs/dbraw/zinc/94/55/54/985945554.db2.gz AKESLNCNDUJWIZ-AGIUHOORSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC001579455731 985948691 /nfs/dbraw/zinc/94/86/91/985948691.db2.gz OZMVTRBYTSDLTH-KWCYVHTRSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC001579455731 985948714 /nfs/dbraw/zinc/94/87/14/985948714.db2.gz OZMVTRBYTSDLTH-KWCYVHTRSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](CO)c1ccccc1 ZINC001579460907 985955647 /nfs/dbraw/zinc/95/56/47/985955647.db2.gz RNKOZXVTZIZGFI-KWCYVHTRSA-N 2 1 234.343 1.165 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@H]1CCCC[C@@H]1O)C2 ZINC001579473582 985979091 /nfs/dbraw/zinc/97/90/91/985979091.db2.gz GJSVDTFSAZQBTP-MQYQWHSLSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001579495747 986020036 /nfs/dbraw/zinc/02/00/36/986020036.db2.gz FRNJZISHCCQITC-RWMBFGLXSA-N 2 1 226.364 1.079 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnn(C)c1 ZINC001461238446 986025221 /nfs/dbraw/zinc/02/52/21/986025221.db2.gz ZPVRHLZEJCLVEI-UHFFFAOYSA-N 2 1 247.346 1.495 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001276355579 986056415 /nfs/dbraw/zinc/05/64/15/986056415.db2.gz USAMCRCYLRDTJJ-YHWZYXNKSA-N 2 1 247.342 1.502 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001276355579 986056423 /nfs/dbraw/zinc/05/64/23/986056423.db2.gz USAMCRCYLRDTJJ-YHWZYXNKSA-N 2 1 247.342 1.502 20 0 BDADMP C[C@H]1[C@@H](O)CC[N@H+]1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001579507783 986057722 /nfs/dbraw/zinc/05/77/22/986057722.db2.gz LWSQZZJVCYUGTB-CYDGBPFRSA-N 2 1 226.364 1.207 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(F)nc2)C1 ZINC001206614850 986069483 /nfs/dbraw/zinc/06/94/83/986069483.db2.gz ADDQBJCZCJYTFZ-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC001206614850 986069500 /nfs/dbraw/zinc/06/95/00/986069500.db2.gz ADDQBJCZCJYTFZ-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2O)cc1C ZINC001579696980 986187706 /nfs/dbraw/zinc/18/77/06/986187706.db2.gz QPLWMODQKMCOKA-KBPBESRZSA-N 2 1 234.343 1.116 20 0 BDADMP Cc1ccnc(C[NH2+]CC2(C[NH3+])CC2)c1 ZINC001579811084 986230429 /nfs/dbraw/zinc/23/04/29/986230429.db2.gz HMJJLBBSFMXURS-UHFFFAOYSA-N 2 1 205.305 1.219 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(C)CCCCO2)C1 ZINC001462084314 986272148 /nfs/dbraw/zinc/27/21/48/986272148.db2.gz ZYIIXTPUGCUMDK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC001253729522 986343030 /nfs/dbraw/zinc/34/30/30/986343030.db2.gz AGIVXGFKHSGWQD-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CO[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001462656274 986484468 /nfs/dbraw/zinc/48/44/68/986484468.db2.gz WJZPPWVSAYOUQX-RFGFWPKPSA-N 2 1 240.391 1.683 20 0 BDADMP [NH3+][C@H](C[NH2+][C@H](CCO)C1CC1)CC(F)(F)F ZINC001580133437 986603765 /nfs/dbraw/zinc/60/37/65/986603765.db2.gz YRNMHCFBCKNUEU-DTWKUNHWSA-N 2 1 240.269 1.017 20 0 BDADMP [NH3+]C1(CO)CC[NH+](CCCC(F)(F)F)CC1 ZINC001580156898 986627661 /nfs/dbraw/zinc/62/76/61/986627661.db2.gz GONDSJIIAOPHPE-UHFFFAOYSA-N 2 1 240.269 1.115 20 0 BDADMP COC[C@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254517550 986657629 /nfs/dbraw/zinc/65/76/29/986657629.db2.gz VFQREGCBRDOVPO-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254517550 986657636 /nfs/dbraw/zinc/65/76/36/986657636.db2.gz VFQREGCBRDOVPO-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254517550 986657644 /nfs/dbraw/zinc/65/76/44/986657644.db2.gz VFQREGCBRDOVPO-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+](CCOC)C(C)C ZINC000379764131 986673921 /nfs/dbraw/zinc/67/39/21/986673921.db2.gz GONQTMRVPFPWCI-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](CCOC)C(C)C ZINC000379764131 986673930 /nfs/dbraw/zinc/67/39/30/986673930.db2.gz GONQTMRVPFPWCI-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP [NH3+]CC1([NH2+]Cc2cnc3cnccn23)CCCC1 ZINC001580245507 986696967 /nfs/dbraw/zinc/69/69/67/986696967.db2.gz ZNZVUBUWOPNRGF-UHFFFAOYSA-N 2 1 245.330 1.090 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CC1(O)CCCCCC1 ZINC001580247798 986705330 /nfs/dbraw/zinc/70/53/30/986705330.db2.gz MXYURVAOXYBFHE-UHFFFAOYSA-N 2 1 238.375 1.495 20 0 BDADMP [NH3+]C[C@]12C[N@H+](Cc3c[nH]cn3)C[C@@H]1CCCC2 ZINC001580256902 986708428 /nfs/dbraw/zinc/70/84/28/986708428.db2.gz ZOXQHRWNIHMLCE-WCQYABFASA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@]12C[N@@H+](Cc3c[nH]cn3)C[C@@H]1CCCC2 ZINC001580256902 986708437 /nfs/dbraw/zinc/70/84/37/986708437.db2.gz ZOXQHRWNIHMLCE-WCQYABFASA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(=O)[nH]c1)C2 ZINC001580334981 986777864 /nfs/dbraw/zinc/77/78/64/986777864.db2.gz NDEUXQPCIVVXDP-JSGCOSHPSA-N 2 1 247.342 1.348 20 0 BDADMP COc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC000383320448 986801204 /nfs/dbraw/zinc/80/12/04/986801204.db2.gz OVDUCDUFNWZBGU-LLVKDONJSA-N 2 1 235.331 1.403 20 0 BDADMP COc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC000383320448 986801208 /nfs/dbraw/zinc/80/12/08/986801208.db2.gz OVDUCDUFNWZBGU-LLVKDONJSA-N 2 1 235.331 1.403 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](n3cccn3)C2)C1 ZINC001580387610 986812583 /nfs/dbraw/zinc/81/25/83/986812583.db2.gz QCWQQLIHNGFLHZ-YNEHKIRRSA-N 2 1 234.347 1.257 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC001580423224 986841450 /nfs/dbraw/zinc/84/14/50/986841450.db2.gz VMJBKVHTBVQOPS-KNVOCYPGSA-N 2 1 216.737 1.981 20 0 BDADMP Nc1ncccc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001580472383 986868442 /nfs/dbraw/zinc/86/84/42/986868442.db2.gz FFHBCBNLVQZWQV-MNOVXSKESA-N 2 1 232.331 1.023 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3cncnc3)C2)CC1 ZINC001137669170 986888794 /nfs/dbraw/zinc/88/87/94/986888794.db2.gz DVCZLLLVYMFCSI-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255566236 987022000 /nfs/dbraw/zinc/02/20/00/987022000.db2.gz DXHONKYZFFNOSE-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]1CO ZINC001255958066 987100718 /nfs/dbraw/zinc/10/07/18/987100718.db2.gz YECSTJSNPVKOGO-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)C[NH2+]1 ZINC001245998767 987276071 /nfs/dbraw/zinc/27/60/71/987276071.db2.gz ZEZCZEKTGBJGJE-TUAOUCFPSA-N 2 1 214.353 1.125 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001245997744 987278327 /nfs/dbraw/zinc/27/83/27/987278327.db2.gz XKLDJSIDMSICDZ-MCIONIFRSA-N 2 1 242.407 1.905 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1O ZINC000691358412 987282838 /nfs/dbraw/zinc/28/28/38/987282838.db2.gz HLWURWGAZLVAFC-CHWSQXEVSA-N 2 1 226.364 1.031 20 0 BDADMP COC1(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)CCCC1 ZINC000692497770 987291507 /nfs/dbraw/zinc/29/15/07/987291507.db2.gz IQBPQDMRLMUVDJ-LLVKDONJSA-N 2 1 226.364 1.615 20 0 BDADMP COC1(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)CCCC1 ZINC000692497770 987291518 /nfs/dbraw/zinc/29/15/18/987291518.db2.gz IQBPQDMRLMUVDJ-LLVKDONJSA-N 2 1 226.364 1.615 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020752 987306181 /nfs/dbraw/zinc/30/61/81/987306181.db2.gz LSMZBBRCHVRZRU-NEPJUHHUSA-N 2 1 232.343 1.300 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246024439 987317165 /nfs/dbraw/zinc/31/71/65/987317165.db2.gz VRLLHPBILBQEMA-RDBSUJKOSA-N 2 1 242.407 1.844 20 0 BDADMP C[N@@H+](CCCC1CC1)CCOCC[NH3+] ZINC000400722445 987318132 /nfs/dbraw/zinc/31/81/32/987318132.db2.gz HQGHGVSYNHJLCO-UHFFFAOYSA-N 2 1 200.326 1.084 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246025897 987323672 /nfs/dbraw/zinc/32/36/72/987323672.db2.gz ZVYORYVLUQYZCG-CHWSQXEVSA-N 2 1 228.380 1.741 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246031534 987329526 /nfs/dbraw/zinc/32/95/26/987329526.db2.gz QWSZTPBRLQGQTR-CHWSQXEVSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000697034964 987346844 /nfs/dbraw/zinc/34/68/44/987346844.db2.gz QBRBQAWHPBABHV-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)CC[NH2+]1 ZINC001246079754 987372182 /nfs/dbraw/zinc/37/21/82/987372182.db2.gz FUJKMHLNYRHKSY-ONGXEEELSA-N 2 1 239.750 1.965 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)CC[NH2+]1 ZINC001246079746 987373674 /nfs/dbraw/zinc/37/36/74/987373674.db2.gz FUJKMHLNYRHKSY-GXSJLCMTSA-N 2 1 239.750 1.965 20 0 BDADMP C[C@H]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC001246084671 987381048 /nfs/dbraw/zinc/38/10/48/987381048.db2.gz LSBJOBJPPKAVQR-HTVCTNPSSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[NH2+]1 ZINC001246090543 987392415 /nfs/dbraw/zinc/39/24/15/987392415.db2.gz YKFSBTLPKUVDKG-DDHJBXDOSA-N 2 1 214.328 1.997 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC001246089430 987395466 /nfs/dbraw/zinc/39/54/66/987395466.db2.gz FAOBLULRNASHCJ-MOKVOYLWSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCC[NH2+]CC1 ZINC001246093034 987402484 /nfs/dbraw/zinc/40/24/84/987402484.db2.gz GRCCZCBSMWTVKM-STQMWFEESA-N 3 1 225.380 1.108 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246096248 987408067 /nfs/dbraw/zinc/40/80/67/987408067.db2.gz DQRGUPDNTJZSMX-STQMWFEESA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](CN[C@H]2CCC[N@@H+](C)CC2)C1 ZINC001246097182 987409747 /nfs/dbraw/zinc/40/97/47/987409747.db2.gz GNWZFCUGTDUJNY-MJBXVCDLSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC001246097182 987409760 /nfs/dbraw/zinc/40/97/60/987409760.db2.gz GNWZFCUGTDUJNY-MJBXVCDLSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001246097182 987409778 /nfs/dbraw/zinc/40/97/78/987409778.db2.gz GNWZFCUGTDUJNY-MJBXVCDLSA-N 3 1 239.407 1.306 20 0 BDADMP CCCC[C@H]1C[C@H]([NH2+]CCC[NH2+]C)CC[NH2+]1 ZINC001246114936 987454403 /nfs/dbraw/zinc/45/44/03/987454403.db2.gz QKNXDBKLCWKAQC-QWHCGFSZSA-N 3 1 227.396 1.496 20 0 BDADMP c1ccc2c(c1)CC([NH2+][C@H]1C[NH2+]CC13CC3)C2 ZINC001246133402 987489473 /nfs/dbraw/zinc/48/94/73/987489473.db2.gz NUCVYZFFKFZHNW-AWEZNQCLSA-N 2 1 228.339 1.495 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[NH2+]1 ZINC001246152958 987513399 /nfs/dbraw/zinc/51/33/99/987513399.db2.gz OKVIZYYGSYKQLH-HQRZJTNHSA-N 2 1 246.354 1.375 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@@H]1CCCC[NH2+]C1 ZINC001246161312 987521757 /nfs/dbraw/zinc/52/17/57/987521757.db2.gz JFRCPGVIUAADKM-CQSZACIVSA-N 2 1 241.423 1.840 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CN1 ZINC001246177202 987546758 /nfs/dbraw/zinc/54/67/58/987546758.db2.gz RTKCWCWDZAKHLI-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246177202 987546761 /nfs/dbraw/zinc/54/67/61/987546761.db2.gz RTKCWCWDZAKHLI-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246177202 987546768 /nfs/dbraw/zinc/54/67/68/987546768.db2.gz RTKCWCWDZAKHLI-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCc2ccncc2)C[NH2+]1 ZINC001246177983 987549127 /nfs/dbraw/zinc/54/91/27/987549127.db2.gz XEWZQHSGJYTKCC-GXTWGEPZSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CN1 ZINC001246177207 987550339 /nfs/dbraw/zinc/55/03/39/987550339.db2.gz RTKCWCWDZAKHLI-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246177207 987550347 /nfs/dbraw/zinc/55/03/47/987550347.db2.gz RTKCWCWDZAKHLI-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246177207 987550352 /nfs/dbraw/zinc/55/03/52/987550352.db2.gz RTKCWCWDZAKHLI-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H](N[C@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246190066 987576729 /nfs/dbraw/zinc/57/67/29/987576729.db2.gz OTEGNHNIELYWQX-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246197744 987592659 /nfs/dbraw/zinc/59/26/59/987592659.db2.gz LMCZQUXWPJNGEN-VXGBXAGGSA-N 3 1 225.380 1.106 20 0 BDADMP COC(=O)CCCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246199839 987593589 /nfs/dbraw/zinc/59/35/89/987593589.db2.gz LKUOWBQVGLUPBA-NWDGAFQWSA-N 2 1 242.363 1.450 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC[NH2+]C1)C2 ZINC001246199577 987593855 /nfs/dbraw/zinc/59/38/55/987593855.db2.gz XIIYOPHLNIKOQY-FQUUOJAGSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC001246199577 987593861 /nfs/dbraw/zinc/59/38/61/987593861.db2.gz XIIYOPHLNIKOQY-FQUUOJAGSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC001246199577 987593871 /nfs/dbraw/zinc/59/38/71/987593871.db2.gz XIIYOPHLNIKOQY-FQUUOJAGSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204692 987598989 /nfs/dbraw/zinc/59/89/89/987598989.db2.gz KPLYMHLQZRLPHN-JHJVBQTASA-N 3 1 225.380 1.330 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204692 987598994 /nfs/dbraw/zinc/59/89/94/987598994.db2.gz KPLYMHLQZRLPHN-JHJVBQTASA-N 3 1 225.380 1.330 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204692 987599011 /nfs/dbraw/zinc/59/90/11/987599011.db2.gz KPLYMHLQZRLPHN-JHJVBQTASA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@@H](CO)C(C)(C)C)C[NH2+]1 ZINC001246238046 987638454 /nfs/dbraw/zinc/63/84/54/987638454.db2.gz VEQSWAIDXGFJIS-AXFHLTTASA-N 2 1 214.353 1.124 20 0 BDADMP CCOC(CC[NH2+][C@@H]1CCC[NH2+]C1)OCC ZINC001246226511 987622049 /nfs/dbraw/zinc/62/20/49/987622049.db2.gz AJTKLOHOVOEPLR-LLVKDONJSA-N 2 1 230.352 1.117 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC[NH2+]1 ZINC001246228061 987625199 /nfs/dbraw/zinc/62/51/99/987625199.db2.gz MLMOBQUBORMILM-AEGPPILISA-N 2 1 248.370 1.840 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc32)CC[NH2+]1 ZINC001246237344 987635144 /nfs/dbraw/zinc/63/51/44/987635144.db2.gz SCAHWHUZFDIVSQ-WXHSDQCUSA-N 2 1 231.343 1.799 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246238729 987638376 /nfs/dbraw/zinc/63/83/76/987638376.db2.gz ZGIIDMFQWOQJOS-XVSSEFHLSA-N 3 1 225.380 1.329 20 0 BDADMP CCOC(=O)CCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246243700 987646041 /nfs/dbraw/zinc/64/60/41/987646041.db2.gz LBQMYLGBAYECEP-LBPRGKRZSA-N 2 1 242.363 1.452 20 0 BDADMP CCCNCC[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246270372 987665259 /nfs/dbraw/zinc/66/52/59/987665259.db2.gz OEALUINCKKXUQE-UHFFFAOYSA-N 2 1 225.380 1.108 20 0 BDADMP OC[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001246276241 987670794 /nfs/dbraw/zinc/67/07/94/987670794.db2.gz BNNPNVPNQJILFU-HUUCEWRRSA-N 2 1 248.370 1.179 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246299498 987694388 /nfs/dbraw/zinc/69/43/88/987694388.db2.gz LEIIMJBVNZENCF-YNEHKIRRSA-N 2 1 226.364 1.291 20 0 BDADMP CC[C@H]1CC([NH2+]CC[C@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306659 987703809 /nfs/dbraw/zinc/70/38/09/987703809.db2.gz RHFBROUPAIWLTA-SRVKXCTJSA-N 3 1 227.396 1.623 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306658 987704735 /nfs/dbraw/zinc/70/47/35/987704735.db2.gz RHFBROUPAIWLTA-RVMXOQNASA-N 3 1 227.396 1.623 20 0 BDADMP CC[C@@H](C[NH3+])[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246319236 987723474 /nfs/dbraw/zinc/72/34/74/987723474.db2.gz UBHFNLZWDGWWEZ-HSBZDZAISA-N 3 1 239.407 1.626 20 0 BDADMP CC[C@@H](N)C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246317601 987725423 /nfs/dbraw/zinc/72/54/23/987725423.db2.gz OAFMEXSFWXHOFS-PNESKVBLSA-N 2 1 225.380 1.236 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@](C)(CO)c2ccccc2)CC[NH2+]1 ZINC001246326856 987731443 /nfs/dbraw/zinc/73/14/43/987731443.db2.gz OVJPATSXBJMSEF-YUELXQCFSA-N 2 1 248.370 1.624 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH3+])CC[NH2+]1 ZINC001246327382 987732192 /nfs/dbraw/zinc/73/21/92/987732192.db2.gz NCVGNSLBSUWUBG-XQQFMLRXSA-N 3 1 227.396 1.482 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CC[NH2+]1 ZINC001246332340 987738246 /nfs/dbraw/zinc/73/82/46/987738246.db2.gz IHPRGWJLXNDQKY-DGAVXFQQSA-N 3 1 237.391 1.521 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246331792 987740166 /nfs/dbraw/zinc/74/01/66/987740166.db2.gz JNTFFYCTQQXZDO-PDWCTOEPSA-N 3 1 237.391 1.390 20 0 BDADMP COC1CC(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC001474504213 987740672 /nfs/dbraw/zinc/74/06/72/987740672.db2.gz DFDYTPOVMPCGTH-GFJIZPEISA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC001474504213 987740679 /nfs/dbraw/zinc/74/06/79/987740679.db2.gz DFDYTPOVMPCGTH-GFJIZPEISA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC001474504213 987740684 /nfs/dbraw/zinc/74/06/84/987740684.db2.gz DFDYTPOVMPCGTH-GFJIZPEISA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC001474504213 987740691 /nfs/dbraw/zinc/74/06/91/987740691.db2.gz DFDYTPOVMPCGTH-GFJIZPEISA-N 2 1 240.391 1.683 20 0 BDADMP CC(=O)NCCCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246337622 987746830 /nfs/dbraw/zinc/74/68/30/987746830.db2.gz WUSOIHVNMOCRND-WCQYABFASA-N 2 1 241.379 1.023 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCC(F)CC2)CC[NH2+]1 ZINC001246338679 987748035 /nfs/dbraw/zinc/74/80/35/987748035.db2.gz ADKBBGGCLPABHL-YPMHNXCESA-N 2 1 243.370 1.150 20 0 BDADMP FC1(F)CCCN(CC[NH2+][C@H]2CCCNC2)C1 ZINC001246339864 987749603 /nfs/dbraw/zinc/74/96/03/987749603.db2.gz FXLDSPSQHURGDL-NSHDSACASA-N 2 1 247.333 1.059 20 0 BDADMP [NH3+][C@@]12CC[C@@]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)(C1)CCC2 ZINC001246342040 987751724 /nfs/dbraw/zinc/75/17/24/987751724.db2.gz QSIYZYUZBUMDTG-AIEDFZFUSA-N 3 1 249.402 1.663 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC001246357777 987763093 /nfs/dbraw/zinc/76/30/93/987763093.db2.gz MDEAEKUMOUPLFY-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246360214 987768219 /nfs/dbraw/zinc/76/82/19/987768219.db2.gz GKKFPHZWAWNZGQ-MJBXVCDLSA-N 2 1 239.407 1.447 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246360213 987768584 /nfs/dbraw/zinc/76/85/84/987768584.db2.gz GKKFPHZWAWNZGQ-MCIONIFRSA-N 2 1 239.407 1.447 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC001474583985 987770969 /nfs/dbraw/zinc/77/09/69/987770969.db2.gz YYACVIPCUMFVSQ-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246363994 987773579 /nfs/dbraw/zinc/77/35/79/987773579.db2.gz RLEUFCCYBHLACJ-NEPJUHHUSA-N 3 1 241.423 1.870 20 0 BDADMP C[NH2+]CC[C@H](C)[NH2+]C1(CC2CC2)CC[NH2+]CC1 ZINC001246388675 987778426 /nfs/dbraw/zinc/77/84/26/987778426.db2.gz MPKWJXIZBQXWHO-LBPRGKRZSA-N 3 1 239.407 1.496 20 0 BDADMP c1[nH+]c(CNC2CC[NH2+]CC2)c2ccccn12 ZINC001246399257 987782773 /nfs/dbraw/zinc/78/27/73/987782773.db2.gz XZYAFFWVQLBOAI-UHFFFAOYSA-N 2 1 230.315 1.176 20 0 BDADMP CCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246402692 987784279 /nfs/dbraw/zinc/78/42/79/987784279.db2.gz XXCNIBPXVMAHSU-QWRGUYRKSA-N 2 1 230.352 1.435 20 0 BDADMP CC1(C)CCC([NH2+]CCC[NH2+]CCC[NH3+])CC1 ZINC001246451151 987808984 /nfs/dbraw/zinc/80/89/84/987808984.db2.gz FTLACVLUVKKWEU-UHFFFAOYSA-N 3 1 241.423 1.873 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001474756806 987820007 /nfs/dbraw/zinc/82/00/07/987820007.db2.gz MCLGHCQIIOLCCO-ZOBORPQBSA-N 2 1 248.374 1.201 20 0 BDADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccn1 ZINC001246467577 987826802 /nfs/dbraw/zinc/82/68/02/987826802.db2.gz ADPRYSADTYBKMI-GMXVVIOVSA-N 2 1 249.358 1.881 20 0 BDADMP Cc1ncncc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246473223 987830787 /nfs/dbraw/zinc/83/07/87/987830787.db2.gz HFOHTKYOPXNISL-SKDRFNHKSA-N 2 1 220.320 1.015 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246485556 987841179 /nfs/dbraw/zinc/84/11/79/987841179.db2.gz AXBXJPCVLGXXMX-OLZOCXBDSA-N 2 1 225.380 1.272 20 0 BDADMP O=C(CCC[NH2+][C@H]1CCC[NH2+]C1)c1cccnc1 ZINC001246505741 987858619 /nfs/dbraw/zinc/85/86/19/987858619.db2.gz WGKDBZNJARZOQI-ZDUSSCGKSA-N 2 1 247.342 1.386 20 0 BDADMP NC12CC([NH2+]C3CCC4(CCC[NH2+]C4)CC3)(C1)C2 ZINC001246506122 987859844 /nfs/dbraw/zinc/85/98/44/987859844.db2.gz VISVMDQVGYZZGW-UHFFFAOYSA-N 2 1 249.402 1.522 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246513320 987862497 /nfs/dbraw/zinc/86/24/97/987862497.db2.gz COMUAJFBBCBSOJ-HONMWMINSA-N 3 1 237.391 1.105 20 0 BDADMP COc1cccc(C[C@@H](C)[N@@H+]2CCC[NH2+]CC2)c1 ZINC001246524670 987876051 /nfs/dbraw/zinc/87/60/51/987876051.db2.gz NSYSPHVVACSROP-CYBMUJFWSA-N 2 1 248.370 1.922 20 0 BDADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[NH2+]CC2)c1 ZINC001246524670 987876056 /nfs/dbraw/zinc/87/60/56/987876056.db2.gz NSYSPHVVACSROP-CYBMUJFWSA-N 2 1 248.370 1.922 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCCNCC1)C2 ZINC001246525891 987877900 /nfs/dbraw/zinc/87/79/00/987877900.db2.gz SYYQZIDFKVMNAX-UONOGXRCSA-N 2 1 237.391 1.204 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@H](N1CCC[NH2+]CC1)C2 ZINC001246525891 987877903 /nfs/dbraw/zinc/87/79/03/987877903.db2.gz SYYQZIDFKVMNAX-UONOGXRCSA-N 2 1 237.391 1.204 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246527392 987881462 /nfs/dbraw/zinc/88/14/62/987881462.db2.gz TZTGIXLJTABKGZ-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246527392 987881473 /nfs/dbraw/zinc/88/14/73/987881473.db2.gz TZTGIXLJTABKGZ-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP CCC[N@@H+](CCOC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246530930 987886866 /nfs/dbraw/zinc/88/68/66/987886866.db2.gz QKQLHFKBUFGZPQ-RYUDHWBXSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246532581 987890823 /nfs/dbraw/zinc/89/08/23/987890823.db2.gz WXGCMHZESMLCNS-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246532581 987890829 /nfs/dbraw/zinc/89/08/29/987890829.db2.gz WXGCMHZESMLCNS-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP F[C@@H]1CC[N@H+](C2CC[NH2+]CC2)CCC1(F)F ZINC001246535975 987895773 /nfs/dbraw/zinc/89/57/73/987895773.db2.gz BUSSWVYBYZBQEC-SNVBAGLBSA-N 2 1 236.281 1.808 20 0 BDADMP CCSC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538310 987897287 /nfs/dbraw/zinc/89/72/87/987897287.db2.gz AWMZEIWFYBJBRI-WDEREUQCSA-N 2 1 216.394 1.941 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1CCC[N@@H+](C)CC1 ZINC001246537795 987899449 /nfs/dbraw/zinc/89/94/49/987899449.db2.gz LFSXLHLKFONYIC-XQQFMLRXSA-N 2 1 225.380 1.282 20 0 BDADMP CCSC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246538302 987899553 /nfs/dbraw/zinc/89/95/53/987899553.db2.gz AWMZEIWFYBJBRI-GHMZBOCLSA-N 2 1 216.394 1.941 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC001246540722 987904788 /nfs/dbraw/zinc/90/47/88/987904788.db2.gz JZJHKEFXXHPXBE-IRCOFANPSA-N 2 1 236.359 1.271 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246541580 987907457 /nfs/dbraw/zinc/90/74/57/987907457.db2.gz MFGXFHMFEOQJJX-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542555 987910550 /nfs/dbraw/zinc/91/05/50/987910550.db2.gz QKRPSKKHOHWWTG-CRWXNKLISA-N 3 1 239.407 1.290 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542555 987910559 /nfs/dbraw/zinc/91/05/59/987910559.db2.gz QKRPSKKHOHWWTG-CRWXNKLISA-N 3 1 239.407 1.290 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246543104 987912240 /nfs/dbraw/zinc/91/22/40/987912240.db2.gz TVLOEZJUKZTTEZ-SRVKXCTJSA-N 2 1 212.337 1.367 20 0 BDADMP C1CC2(CO1)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246546487 987928613 /nfs/dbraw/zinc/92/86/13/987928613.db2.gz KJYXELWHIFTHFG-LBPRGKRZSA-N 2 1 224.348 1.241 20 0 BDADMP CSCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546101 987931068 /nfs/dbraw/zinc/93/10/68/987931068.db2.gz YFCJPWYYFZRUOJ-NWDGAFQWSA-N 2 1 246.420 1.304 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCCOCC2)CC[C@@H]1C[NH3+] ZINC001246555851 987965767 /nfs/dbraw/zinc/96/57/67/987965767.db2.gz HEMITZWJNCQFMY-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556874 987967958 /nfs/dbraw/zinc/96/79/58/987967958.db2.gz GTCGAGMFQQBNEV-WCQYABFASA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCCOCC2)CC[C@H]1C[NH3+] ZINC001246555850 987968192 /nfs/dbraw/zinc/96/81/92/987968192.db2.gz HEMITZWJNCQFMY-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP CCC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246556773 987968874 /nfs/dbraw/zinc/96/88/74/987968874.db2.gz CZJKMBTUILDGGC-FIYWTHMPSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001246558404 987975188 /nfs/dbraw/zinc/97/51/88/987975188.db2.gz QBJCNHZWIHJBOG-MGPQQGTHSA-N 2 1 239.407 1.530 20 0 BDADMP C[C@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[C@@H]1C[NH3+] ZINC001246557397 987975306 /nfs/dbraw/zinc/97/53/06/987975306.db2.gz LMCASZDJVSFKQE-DRWKLNATSA-N 3 1 249.402 1.352 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CO1 ZINC001246562802 988003473 /nfs/dbraw/zinc/00/34/73/988003473.db2.gz WKQMGLKQJGZRKC-DGCLKSJQSA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246564977 988013559 /nfs/dbraw/zinc/01/35/59/988013559.db2.gz ZDMFORNRHUWJSW-SYQHCUMBSA-N 3 1 239.407 1.434 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246564519 988018911 /nfs/dbraw/zinc/01/89/11/988018911.db2.gz XQGIKSBYTOBIFQ-FRRDWIJNSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCCCNC2)CCC[C@@H]1C[NH3+] ZINC001246564732 988020561 /nfs/dbraw/zinc/02/05/61/988020561.db2.gz GJXRQVYCSQZCQT-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCCNC2)CCC[C@@H]1C[NH3+] ZINC001246564732 988020578 /nfs/dbraw/zinc/02/05/78/988020578.db2.gz GJXRQVYCSQZCQT-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246567167 988031733 /nfs/dbraw/zinc/03/17/33/988031733.db2.gz LMOQBGHDQZCXEN-YVECIDJPSA-N 2 1 228.380 1.859 20 0 BDADMP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1F ZINC001246568124 988042329 /nfs/dbraw/zinc/04/23/29/988042329.db2.gz ZEUQNRJYAQAAAR-ARHMULMVSA-N 2 1 212.312 1.559 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1F ZINC001246568124 988042339 /nfs/dbraw/zinc/04/23/39/988042339.db2.gz ZEUQNRJYAQAAAR-ARHMULMVSA-N 2 1 212.312 1.559 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCc3ncsc3C2)C[C@H]1[NH3+] ZINC001246568382 988045025 /nfs/dbraw/zinc/04/50/25/988045025.db2.gz RPIDGDJVEGGKQX-OPRDCNLKSA-N 2 1 237.372 1.279 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ncsc3C2)C[C@H]1[NH3+] ZINC001246568382 988045040 /nfs/dbraw/zinc/04/50/40/988045040.db2.gz RPIDGDJVEGGKQX-OPRDCNLKSA-N 2 1 237.372 1.279 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC001246573758 988073964 /nfs/dbraw/zinc/07/39/64/988073964.db2.gz ZDMFORNRHUWJSW-REWJHTLYSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(CF)C2)CC[NH2+]1 ZINC001246573972 988076376 /nfs/dbraw/zinc/07/63/76/988076376.db2.gz HEACTTYDCUMSDT-GRYCIOLGSA-N 2 1 214.328 1.808 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCSC2)CC[C@@H]1F ZINC001246578710 988101012 /nfs/dbraw/zinc/10/10/12/988101012.db2.gz BLRGKYWDIYLBDD-KXUCPTDWSA-N 2 1 218.341 1.253 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCSC2)CC[C@@H]1F ZINC001246578710 988101036 /nfs/dbraw/zinc/10/10/36/988101036.db2.gz BLRGKYWDIYLBDD-KXUCPTDWSA-N 2 1 218.341 1.253 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578785 988106093 /nfs/dbraw/zinc/10/60/93/988106093.db2.gz CDRDBMXQOIDGNI-IHRRRGAJSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578785 988106105 /nfs/dbraw/zinc/10/61/05/988106105.db2.gz CDRDBMXQOIDGNI-IHRRRGAJSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C ZINC001246583842 988120874 /nfs/dbraw/zinc/12/08/74/988120874.db2.gz LBKOUFCQXWAAIJ-SJHCENCUSA-N 2 1 226.364 1.063 20 0 BDADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583142 988123212 /nfs/dbraw/zinc/12/32/12/988123212.db2.gz IJRSNOVVRGQGIN-CRWXNKLISA-N 2 1 242.407 1.699 20 0 BDADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583144 988128896 /nfs/dbraw/zinc/12/88/96/988128896.db2.gz IJRSNOVVRGQGIN-MQYQWHSLSA-N 2 1 242.407 1.699 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@]1(C)O ZINC001246587156 988143198 /nfs/dbraw/zinc/14/31/98/988143198.db2.gz FTPCOEUSFYODEE-BEUHCMRWSA-N 2 1 238.375 1.362 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587512 988146014 /nfs/dbraw/zinc/14/60/14/988146014.db2.gz GWUUDKKXUVPAFB-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H](CC1CC1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589130 988155416 /nfs/dbraw/zinc/15/54/16/988155416.db2.gz RUGHDDZWYBFBSR-ADEWGFFLSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589130 988155424 /nfs/dbraw/zinc/15/54/24/988155424.db2.gz RUGHDDZWYBFBSR-ADEWGFFLSA-N 2 1 214.328 1.936 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2CCSCC2)CC[C@H]1F ZINC001246594962 988185979 /nfs/dbraw/zinc/18/59/79/988185979.db2.gz XIPBUAJNTLVBJL-MNOVXSKESA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2CCSCC2)CC[C@H]1F ZINC001246594962 988185988 /nfs/dbraw/zinc/18/59/88/988185988.db2.gz XIPBUAJNTLVBJL-MNOVXSKESA-N 2 1 232.368 1.643 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599121 988209815 /nfs/dbraw/zinc/20/98/15/988209815.db2.gz ARHCVOFCHZEXPS-MCIONIFRSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599121 988209830 /nfs/dbraw/zinc/20/98/30/988209830.db2.gz ARHCVOFCHZEXPS-MCIONIFRSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@H](Cc1ccncc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246603211 988218127 /nfs/dbraw/zinc/21/81/27/988218127.db2.gz YAMSZEFMJZKEDL-LLVKDONJSA-N 2 1 219.332 1.293 20 0 BDADMP C1C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@]2(C1)CCC[NH2+]C2 ZINC001246608809 988224368 /nfs/dbraw/zinc/22/43/68/988224368.db2.gz JYHHTOJUEUCJMF-XGUBFFRZSA-N 2 1 249.402 1.202 20 0 BDADMP C1C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@]2(C1)CCC[NH2+]C2 ZINC001246608810 988225212 /nfs/dbraw/zinc/22/52/12/988225212.db2.gz JYHHTOJUEUCJMF-YJNKXOJESA-N 2 1 249.402 1.202 20 0 BDADMP CCC[C@H](C)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246607701 988232126 /nfs/dbraw/zinc/23/21/26/988232126.db2.gz WSQYHYFRQOSLDZ-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628054 988295545 /nfs/dbraw/zinc/29/55/45/988295545.db2.gz LZAUMBYYKQTIII-MQYQWHSLSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1CC[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628054 988295572 /nfs/dbraw/zinc/29/55/72/988295572.db2.gz LZAUMBYYKQTIII-MQYQWHSLSA-N 2 1 237.391 1.058 20 0 BDADMP OCC[C@H]1CC12CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246632152 988314478 /nfs/dbraw/zinc/31/44/78/988314478.db2.gz ZJXYWUJELIKJSQ-QWHCGFSZSA-N 2 1 238.375 1.223 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246637540 988329606 /nfs/dbraw/zinc/32/96/06/988329606.db2.gz YKOAAXXRYVQURV-QNWHQSFQSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246637540 988329625 /nfs/dbraw/zinc/32/96/25/988329625.db2.gz YKOAAXXRYVQURV-QNWHQSFQSA-N 2 1 224.348 1.095 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246644072 988354248 /nfs/dbraw/zinc/35/42/48/988354248.db2.gz PMXHXELBSPZFJX-KBPBESRZSA-N 2 1 237.391 1.299 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643123 988355559 /nfs/dbraw/zinc/35/55/59/988355559.db2.gz OBIDBUDVHOYNNP-ZIAGYGMSSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)CCO1 ZINC001246643022 988359543 /nfs/dbraw/zinc/35/95/43/988359543.db2.gz LRMXUVCMIWZZAM-HZSPNIEDSA-N 2 1 238.375 1.772 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645354 988361293 /nfs/dbraw/zinc/36/12/93/988361293.db2.gz UMPMPPXRRSZKEW-XPCVCDNBSA-N 2 1 249.402 1.058 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246646767 988362430 /nfs/dbraw/zinc/36/24/30/988362430.db2.gz HWWDQJPFDIZDQZ-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP C1CO[C@@H]2C[N@H+](C3CC[NH2+]CC3)CC[C@H]2C1 ZINC001246648422 988369694 /nfs/dbraw/zinc/36/96/94/988369694.db2.gz PQRBAFVRLFXJNK-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246651332 988376079 /nfs/dbraw/zinc/37/60/79/988376079.db2.gz CUDITRFFZDNZMP-PDWCTOEPSA-N 2 1 235.375 1.035 20 0 BDADMP CC[C@@H]1CC([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246667184 988411235 /nfs/dbraw/zinc/41/12/35/988411235.db2.gz YBSKBUWEFQOCLM-NBUWXKEQSA-N 3 1 237.391 1.185 20 0 BDADMP C[C@H]1CNCC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246675862 988421405 /nfs/dbraw/zinc/42/14/05/988421405.db2.gz YOIXEGOZXJYYTJ-MJBXVCDLSA-N 2 1 237.391 1.202 20 0 BDADMP COC(=O)C1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246679641 988424277 /nfs/dbraw/zinc/42/42/77/988424277.db2.gz XKJIPIVUJXSURS-JQWIXIFHSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)CC[C@H]2O1 ZINC001246696761 988442133 /nfs/dbraw/zinc/44/21/33/988442133.db2.gz RIDFXONPITXUFW-IKOXMDCHSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@H]3CC[NH2+][C@H](C)C3)CC[C@H]2O1 ZINC001246696761 988442143 /nfs/dbraw/zinc/44/21/43/988442143.db2.gz RIDFXONPITXUFW-IKOXMDCHSA-N 2 1 238.375 1.626 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246794570 988475530 /nfs/dbraw/zinc/47/55/30/988475530.db2.gz GAVSSOLGXQKDRY-GFCCVEGCSA-N 3 1 227.396 1.306 20 0 BDADMP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@H]3CCC[C@H]31)CCN2 ZINC001246822292 988507019 /nfs/dbraw/zinc/50/70/19/988507019.db2.gz YCTVJRIZIZXZEV-MGPQQGTHSA-N 2 1 249.402 1.345 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835046 988533540 /nfs/dbraw/zinc/53/35/40/988533540.db2.gz YGJYQMFQOZOORG-IHRRRGAJSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835046 988533547 /nfs/dbraw/zinc/53/35/47/988533547.db2.gz YGJYQMFQOZOORG-IHRRRGAJSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835048 988535778 /nfs/dbraw/zinc/53/57/78/988535778.db2.gz YGJYQMFQOZOORG-MJBXVCDLSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835048 988535783 /nfs/dbraw/zinc/53/57/83/988535783.db2.gz YGJYQMFQOZOORG-MJBXVCDLSA-N 3 1 239.407 1.576 20 0 BDADMP COC(=O)CC[C@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)C1 ZINC001246836303 988538708 /nfs/dbraw/zinc/53/87/08/988538708.db2.gz WOMNCRWMLSHANH-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CC[C@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)C1 ZINC001246836303 988538710 /nfs/dbraw/zinc/53/87/10/988538710.db2.gz WOMNCRWMLSHANH-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246838394 988539882 /nfs/dbraw/zinc/53/98/82/988539882.db2.gz HGGLFAHUGXJBTA-SRVKXCTJSA-N 2 1 240.347 1.154 20 0 BDADMP C[NH+]1CCC2(CC[N@H+](C3CC[NH2+]CC3)C2)CC1 ZINC001246841636 988546652 /nfs/dbraw/zinc/54/66/52/988546652.db2.gz NQZKZLQSOQDKBX-UHFFFAOYSA-N 3 1 237.391 1.156 20 0 BDADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246850702 988560687 /nfs/dbraw/zinc/56/06/87/988560687.db2.gz DCCKKQVYEUCXND-MDZLAQPJSA-N 2 1 220.316 1.634 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246850702 988560699 /nfs/dbraw/zinc/56/06/99/988560699.db2.gz DCCKKQVYEUCXND-MDZLAQPJSA-N 2 1 220.316 1.634 20 0 BDADMP CC[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246849098 988563176 /nfs/dbraw/zinc/56/31/76/988563176.db2.gz PZYRVLCPVYRDPC-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246850664 988566593 /nfs/dbraw/zinc/56/65/93/988566593.db2.gz CNFFIVJRCIIOCJ-MROQNXINSA-N 2 1 208.349 1.988 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4CC[C@]4([NH3+])C3)C[C@@H]21 ZINC001246851807 988569271 /nfs/dbraw/zinc/56/92/71/988569271.db2.gz HPWQBYIUZYMOPW-SSKLVLDBSA-N 2 1 220.360 1.844 20 0 BDADMP CC(=O)[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246859593 988584483 /nfs/dbraw/zinc/58/44/83/988584483.db2.gz GGAWUBIBEOVSJT-KGYLQXTDSA-N 2 1 224.348 1.570 20 0 BDADMP CC(=O)[C@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246859593 988584501 /nfs/dbraw/zinc/58/45/01/988584501.db2.gz GGAWUBIBEOVSJT-KGYLQXTDSA-N 2 1 224.348 1.570 20 0 BDADMP CCC[C@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859550 988591152 /nfs/dbraw/zinc/59/11/52/988591152.db2.gz LGFSVEMXBBPOIK-WSMDXJOWSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C[NH2+]1 ZINC001246859627 988593954 /nfs/dbraw/zinc/59/39/54/988593954.db2.gz MCQSAYOBCKQKOL-HTFCKZLJSA-N 2 1 212.312 1.559 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246862092 988598637 /nfs/dbraw/zinc/59/86/37/988598637.db2.gz PWJAKPINCZCQMN-MRVWCRGKSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246862092 988598662 /nfs/dbraw/zinc/59/86/62/988598662.db2.gz PWJAKPINCZCQMN-MRVWCRGKSA-N 2 1 231.343 1.436 20 0 BDADMP CN(C[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246888932 988654027 /nfs/dbraw/zinc/65/40/27/988654027.db2.gz MXJPETGMQRJCSE-IGQOVBAYSA-N 2 1 237.391 1.295 20 0 BDADMP C1C[NH2+]C[C@H]([NH+]2CCC3(CCCOC3)CC2)C1 ZINC001246898163 988670938 /nfs/dbraw/zinc/67/09/38/988670938.db2.gz MKCXATLMWUMMLC-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP C[N@@H+](CCO)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246910706 988687575 /nfs/dbraw/zinc/68/75/75/988687575.db2.gz CPIFDXHOOUWNAW-GHMZBOCLSA-N 2 1 214.353 1.077 20 0 BDADMP C1[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]12 ZINC001246904152 988684736 /nfs/dbraw/zinc/68/47/36/988684736.db2.gz FFDBIQRYGDFREP-VKYHIEHISA-N 2 1 206.333 1.754 20 0 BDADMP C1[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]12 ZINC001246904152 988684749 /nfs/dbraw/zinc/68/47/49/988684749.db2.gz FFDBIQRYGDFREP-VKYHIEHISA-N 2 1 206.333 1.754 20 0 BDADMP C[N@@H+](CCO)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246910708 988687680 /nfs/dbraw/zinc/68/76/80/988687680.db2.gz CPIFDXHOOUWNAW-QWRGUYRKSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246907417 988689748 /nfs/dbraw/zinc/68/97/48/988689748.db2.gz FSWUGDJQRXPPTM-MGPQQGTHSA-N 2 1 239.407 1.541 20 0 BDADMP NC[C@H]1CCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246907261 988690129 /nfs/dbraw/zinc/69/01/29/988690129.db2.gz JBIKUMILVIXQOM-QWHCGFSZSA-N 2 1 237.391 1.332 20 0 BDADMP COC(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246910642 988690945 /nfs/dbraw/zinc/69/09/45/988690945.db2.gz BDWNJXGEGIVEBS-PWSUYJOCSA-N 2 1 240.347 1.154 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ncsc2C1 ZINC001246917474 988711922 /nfs/dbraw/zinc/71/19/22/988711922.db2.gz RAAVGDSCEKNUSP-NXEZZACHSA-N 2 1 237.372 1.424 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCc2ncsc2C1 ZINC001246917474 988711933 /nfs/dbraw/zinc/71/19/33/988711933.db2.gz RAAVGDSCEKNUSP-NXEZZACHSA-N 2 1 237.372 1.424 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)[C@H]2CC[C@@H](C)NC2)CC1 ZINC001246918577 988720161 /nfs/dbraw/zinc/72/01/61/988720161.db2.gz LBNMSCZYNGKPOA-RYSNWHEDSA-N 2 1 239.407 1.589 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CC[C@@H](C)NC2)CC1 ZINC001246918577 988720182 /nfs/dbraw/zinc/72/01/82/988720182.db2.gz LBNMSCZYNGKPOA-RYSNWHEDSA-N 2 1 239.407 1.589 20 0 BDADMP C1[NH2+][C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924884 988746560 /nfs/dbraw/zinc/74/65/60/988746560.db2.gz NIOTZTBVIWTOSD-FGZQJIAISA-N 3 1 249.402 1.202 20 0 BDADMP C1N[C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924884 988746576 /nfs/dbraw/zinc/74/65/76/988746576.db2.gz NIOTZTBVIWTOSD-FGZQJIAISA-N 2 1 249.402 1.202 20 0 BDADMP C1N[C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924884 988746585 /nfs/dbraw/zinc/74/65/85/988746585.db2.gz NIOTZTBVIWTOSD-FGZQJIAISA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+][C@@H]2CN(C3CCC4(CCC[NH2+]C4)CC3)C[C@H]12 ZINC001246924884 988746592 /nfs/dbraw/zinc/74/65/92/988746592.db2.gz NIOTZTBVIWTOSD-FGZQJIAISA-N 2 1 249.402 1.202 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@@H]1CCCOCC1 ZINC001246928672 988755580 /nfs/dbraw/zinc/75/55/80/988755580.db2.gz BPSZUMDSCOBZEJ-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@@H+](C)C1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246948975 988788573 /nfs/dbraw/zinc/78/85/73/988788573.db2.gz HFVFKCFIWKGZRN-OCCSQVGLSA-N 2 1 239.407 1.543 20 0 BDADMP COC(=O)C[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246970257 988801366 /nfs/dbraw/zinc/80/13/66/988801366.db2.gz YTECPAIIXWQLPB-IJLUTSLNSA-N 2 1 240.347 1.012 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1ccncc1 ZINC001246974319 988807039 /nfs/dbraw/zinc/80/70/39/988807039.db2.gz PLVDFJIYVHEKHH-YPMHNXCESA-N 2 1 221.348 1.682 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1ccncc1 ZINC001246974319 988807048 /nfs/dbraw/zinc/80/70/48/988807048.db2.gz PLVDFJIYVHEKHH-YPMHNXCESA-N 2 1 221.348 1.682 20 0 BDADMP CC(C)[N@H+]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC001246977587 988809015 /nfs/dbraw/zinc/80/90/15/988809015.db2.gz DYMPVEDJQFRBAZ-MELADBBJSA-N 2 1 239.407 1.541 20 0 BDADMP CC[N@@H+]1C[C@H]2CN([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H]2C1 ZINC001246979051 988809611 /nfs/dbraw/zinc/80/96/11/988809611.db2.gz LLRBQHMMXMGQQN-YIYPIFLZSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1cccnc1 ZINC001246982465 988813788 /nfs/dbraw/zinc/81/37/88/988813788.db2.gz VRWMVZXKZOTMPX-QWRGUYRKSA-N 2 1 207.321 1.292 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1cccnc1 ZINC001246982465 988813789 /nfs/dbraw/zinc/81/37/89/988813789.db2.gz VRWMVZXKZOTMPX-QWRGUYRKSA-N 2 1 207.321 1.292 20 0 BDADMP CO[C@@H]1C[N@H+](C2CCC(C(C)C)CC2)C[C@@H]1N ZINC001246982931 988814689 /nfs/dbraw/zinc/81/46/89/988814689.db2.gz JWPFYVGMWPNQSF-CLRIEMFWSA-N 2 1 240.391 1.859 20 0 BDADMP CO[C@@H]1CN(C2CCC(C(C)C)CC2)C[C@@H]1[NH3+] ZINC001246982931 988814693 /nfs/dbraw/zinc/81/46/93/988814693.db2.gz JWPFYVGMWPNQSF-CLRIEMFWSA-N 2 1 240.391 1.859 20 0 BDADMP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CC[NH2+]C ZINC001246997048 988828372 /nfs/dbraw/zinc/82/83/72/988828372.db2.gz USNDCBVUGRJEOV-STQMWFEESA-N 3 1 227.396 1.306 20 0 BDADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CC[NH2+]C ZINC001246997048 988828376 /nfs/dbraw/zinc/82/83/76/988828376.db2.gz USNDCBVUGRJEOV-STQMWFEESA-N 3 1 227.396 1.306 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)C(C)(C)C1 ZINC001246994573 988830194 /nfs/dbraw/zinc/83/01/94/988830194.db2.gz PVWKATVHCKEKMK-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP O=C1CCC[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)C[C@H]12 ZINC001247007895 988834943 /nfs/dbraw/zinc/83/49/43/988834943.db2.gz ZCLUUODHVTVSQS-WOPDTQHZSA-N 2 1 222.332 1.039 20 0 BDADMP O=C1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]12 ZINC001247006162 988836119 /nfs/dbraw/zinc/83/61/19/988836119.db2.gz TWAVRUQGQFBBSE-SYCZCVCYSA-N 2 1 248.370 1.570 20 0 BDADMP O=C1CCC[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC001247007889 988838193 /nfs/dbraw/zinc/83/81/93/988838193.db2.gz ZCLUUODHVTVSQS-GRYCIOLGSA-N 2 1 222.332 1.039 20 0 BDADMP C[NH2+]C[C@@H](C)CNCc1cccc2c1CC[NH2+]C2 ZINC001119611683 989235641 /nfs/dbraw/zinc/23/56/41/989235641.db2.gz WESMQSYHEGNVAX-GFCCVEGCSA-N 2 1 247.386 1.277 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC001325719629 989236700 /nfs/dbraw/zinc/23/67/00/989236700.db2.gz ZFWDMSOQNJWTDU-BDAKNGLRSA-N 2 1 227.377 1.958 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001326074005 989365622 /nfs/dbraw/zinc/36/56/22/989365622.db2.gz CTOZRWFLWXRUKM-SECBINFHSA-N 2 1 227.739 1.823 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326519944 989595718 /nfs/dbraw/zinc/59/57/18/989595718.db2.gz SEDAWSROESYVRH-UHFFFAOYSA-N 3 1 225.380 1.189 20 0 BDADMP CC(C)(N)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326519944 989595724 /nfs/dbraw/zinc/59/57/24/989595724.db2.gz SEDAWSROESYVRH-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)(N)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326519944 989595731 /nfs/dbraw/zinc/59/57/31/989595731.db2.gz SEDAWSROESYVRH-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)([NH3+])CN1CCCC2(CC[NH2+]CC2)C1 ZINC001326519944 989595736 /nfs/dbraw/zinc/59/57/36/989595736.db2.gz SEDAWSROESYVRH-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC001326688134 989654411 /nfs/dbraw/zinc/65/44/11/989654411.db2.gz OYLQGKQWCWHIGD-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP c1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC001120784775 989880667 /nfs/dbraw/zinc/88/06/67/989880667.db2.gz UWRLELQKNJZERN-KGLIPLIRSA-N 2 1 231.343 1.932 20 0 BDADMP CCCC[NH+]1CCC(Nc2cc(N)[nH+]cn2)CC1 ZINC001120890390 989953111 /nfs/dbraw/zinc/95/31/11/989953111.db2.gz RBVFGLHTONXWCP-UHFFFAOYSA-N 2 1 249.362 1.735 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001258102806 991014752 /nfs/dbraw/zinc/01/47/52/991014752.db2.gz IRDPJDVTIZBJHJ-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001258102806 991014757 /nfs/dbraw/zinc/01/47/57/991014757.db2.gz IRDPJDVTIZBJHJ-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001258102805 991016178 /nfs/dbraw/zinc/01/61/78/991016178.db2.gz IRDPJDVTIZBJHJ-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001258102805 991016187 /nfs/dbraw/zinc/01/61/87/991016187.db2.gz IRDPJDVTIZBJHJ-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001308555392 991035281 /nfs/dbraw/zinc/03/52/81/991035281.db2.gz VOMWUDIWFOBCSF-RBSFLKMASA-N 2 1 245.370 1.820 20 0 BDADMP C[C@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCO1 ZINC001308611982 991058422 /nfs/dbraw/zinc/05/84/22/991058422.db2.gz UEOSHFNQVXJUOV-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001258181302 991085032 /nfs/dbraw/zinc/08/50/32/991085032.db2.gz MKNWUJUCMDNPSY-WDEREUQCSA-N 2 1 210.321 1.737 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCn3ccnc32)C1 ZINC001308810475 991151697 /nfs/dbraw/zinc/15/16/97/991151697.db2.gz GWPCAHVXKSUSPZ-QWHCGFSZSA-N 2 1 248.374 1.649 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001308984301 991250398 /nfs/dbraw/zinc/25/03/98/991250398.db2.gz MMNFMNHPRAGAFL-QNWJLWSRSA-N 2 1 208.349 1.715 20 0 BDADMP COC(=O)CC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258365477 991305104 /nfs/dbraw/zinc/30/51/04/991305104.db2.gz ZAURFAGZCPNPMD-SNVBAGLBSA-N 2 1 239.319 1.289 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)CC1(CC)COC1 ZINC001202966507 991350896 /nfs/dbraw/zinc/35/08/96/991350896.db2.gz XYFYLYCUUIMXNN-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055578 991370278 /nfs/dbraw/zinc/37/02/78/991370278.db2.gz FZFDSARDYGHUEL-XQQFMLRXSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055578 991370283 /nfs/dbraw/zinc/37/02/83/991370283.db2.gz FZFDSARDYGHUEL-XQQFMLRXSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@@H](c1cnccn1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001560055578 991370288 /nfs/dbraw/zinc/37/02/88/991370288.db2.gz FZFDSARDYGHUEL-XQQFMLRXSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@@H](c1cnccn1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001560055578 991370295 /nfs/dbraw/zinc/37/02/95/991370295.db2.gz FZFDSARDYGHUEL-XQQFMLRXSA-N 2 1 246.358 1.421 20 0 BDADMP [NH3+]CC1([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC001258509192 991473314 /nfs/dbraw/zinc/47/33/14/991473314.db2.gz QTSCTAODPAKLSM-UHFFFAOYSA-N 2 1 245.370 1.736 20 0 BDADMP CCNc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001560679639 991548376 /nfs/dbraw/zinc/54/83/76/991548376.db2.gz TYEJEOMETHPTTK-OKILXGFUSA-N 2 1 245.370 1.770 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](CC[NH3+])CCO)CC(C)(C)C1 ZINC001258686309 991619306 /nfs/dbraw/zinc/61/93/06/991619306.db2.gz BMMVSFQKKZENTN-NEPJUHHUSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](CC[NH3+])CCO)CC(C)(C)C1 ZINC001258686309 991619310 /nfs/dbraw/zinc/61/93/10/991619310.db2.gz BMMVSFQKKZENTN-NEPJUHHUSA-N 2 1 228.380 1.454 20 0 BDADMP CCCC[C@@H](CCC)[N@H+](CC[NH3+])CCO ZINC001258753201 991697285 /nfs/dbraw/zinc/69/72/85/991697285.db2.gz VRXHIKAAZQSRFV-GFCCVEGCSA-N 2 1 216.369 1.598 20 0 BDADMP CCCC[C@@H](CCC)[N@@H+](CC[NH3+])CCO ZINC001258753201 991697287 /nfs/dbraw/zinc/69/72/87/991697287.db2.gz VRXHIKAAZQSRFV-GFCCVEGCSA-N 2 1 216.369 1.598 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](O)[C@@H](F)C2)CC1 ZINC001561043092 991702926 /nfs/dbraw/zinc/70/29/26/991702926.db2.gz PPCFZLOUWHARMU-STQMWFEESA-N 2 1 244.354 1.123 20 0 BDADMP CCC[NH+]1CCC([NH2+]C2CCC(=O)CC2)CC1 ZINC001258766809 991723403 /nfs/dbraw/zinc/72/34/03/991723403.db2.gz CAVQLUIFYUTGRY-UHFFFAOYSA-N 2 1 238.375 1.962 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001258771679 991730511 /nfs/dbraw/zinc/73/05/11/991730511.db2.gz OEIGILDVRZNJNL-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001258772303 991737371 /nfs/dbraw/zinc/73/73/71/991737371.db2.gz MQXQNNNSHHNEER-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001258772519 991739211 /nfs/dbraw/zinc/73/92/11/991739211.db2.gz RHFWLLGHOUPLDA-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[NH+]1CCC([NH+]2CC([C@H](C)OC)C2)CC1 ZINC001258776534 991745142 /nfs/dbraw/zinc/74/51/42/991745142.db2.gz CYIXQFIJERLXBV-LBPRGKRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)N1CC([NH+](C)C)C1 ZINC001258908106 991900259 /nfs/dbraw/zinc/90/02/59/991900259.db2.gz RKQRKJRQRUYGGC-CYBMUJFWSA-N 2 1 241.423 1.743 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCO)[C@@H](C)C1 ZINC001319604097 991908749 /nfs/dbraw/zinc/90/87/49/991908749.db2.gz QPFFFNSAJVRBPA-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCO)[C@@H](C)C1 ZINC001319604097 991908760 /nfs/dbraw/zinc/90/87/60/991908760.db2.gz QPFFFNSAJVRBPA-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCO)[C@@H](C)C1 ZINC001319604097 991908775 /nfs/dbraw/zinc/90/87/75/991908775.db2.gz QPFFFNSAJVRBPA-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC001261423346 992295979 /nfs/dbraw/zinc/29/59/79/992295979.db2.gz UGVPDPYYQKUMKK-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001573655689 992670564 /nfs/dbraw/zinc/67/05/64/992670564.db2.gz XZPRRXMPZRVLTG-GRYCIOLGSA-N 2 1 212.337 1.001 20 0 BDADMP O[C@]1(C[N@H+]2CCC[C@@H](C3CC3)C2)CCC[NH2+]C1 ZINC001574440439 992857514 /nfs/dbraw/zinc/85/75/14/992857514.db2.gz DOXVIHBJNDIUCA-ZIAGYGMSSA-N 2 1 238.375 1.223 20 0 BDADMP c1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCC2)nc1 ZINC001574440213 992860227 /nfs/dbraw/zinc/86/02/27/992860227.db2.gz PEWJTQIEWFDRQO-CYBMUJFWSA-N 2 1 245.370 1.845 20 0 BDADMP C1C[C@@H]2C[C@@H](N[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@H+]2C1 ZINC001574794678 992909917 /nfs/dbraw/zinc/90/99/17/992909917.db2.gz HRZQXTNTZMTROF-BJJPWKGXSA-N 2 1 235.375 1.096 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCCC[N@H+]([C@H]1CCOC1)C2 ZINC001574801090 992915188 /nfs/dbraw/zinc/91/51/88/992915188.db2.gz NCRIOGFGOSLOBZ-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC001574816466 992918335 /nfs/dbraw/zinc/91/83/35/992918335.db2.gz FRDMQEYHBJSOBN-WHOHXGKFSA-N 2 1 206.333 1.659 20 0 BDADMP CC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001262576206 992931807 /nfs/dbraw/zinc/93/18/07/992931807.db2.gz JVJCZMPYKZCVCQ-GARJFASQSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC2=NOCC2)C1 ZINC001575116717 992982869 /nfs/dbraw/zinc/98/28/69/992982869.db2.gz YNDUMZTVNRLFDL-CYBMUJFWSA-N 2 1 239.363 1.460 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2=NOCC2)C1 ZINC001575116717 992982876 /nfs/dbraw/zinc/98/28/76/992982876.db2.gz YNDUMZTVNRLFDL-CYBMUJFWSA-N 2 1 239.363 1.460 20 0 BDADMP CC(C)(C[NH3+])[NH2+]CC1CCC2(CC1)OCCO2 ZINC001575318403 993010377 /nfs/dbraw/zinc/01/03/77/993010377.db2.gz SRONESHYEHEUIC-UHFFFAOYSA-N 2 1 242.363 1.247 20 0 BDADMP c1cc(NC[C@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC001262672612 993016177 /nfs/dbraw/zinc/01/61/77/993016177.db2.gz FYGWNDKWLNECIQ-CQSZACIVSA-N 2 1 231.343 1.932 20 0 BDADMP C[NH+](C)CCCNc1nccn2c[nH+]cc12 ZINC001262675560 993018000 /nfs/dbraw/zinc/01/80/00/993018000.db2.gz SBWVUMLKOKXVQK-UHFFFAOYSA-N 2 1 219.292 1.093 20 0 BDADMP CCCN(CC[NH+]1CCCC1)c1cc[nH+]c(N)n1 ZINC001262696825 993037417 /nfs/dbraw/zinc/03/74/17/993037417.db2.gz UDRCFFAMKKIDRV-UHFFFAOYSA-N 2 1 249.362 1.371 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC001575472067 993051247 /nfs/dbraw/zinc/05/12/47/993051247.db2.gz LOXKNUVZNPERDK-WDEREUQCSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575470867 993051818 /nfs/dbraw/zinc/05/18/18/993051818.db2.gz FDEQHNSQVXAZDM-IUCAKERBSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001575473614 993054106 /nfs/dbraw/zinc/05/41/06/993054106.db2.gz VNXYIORVCIEOFY-UPJWGTAASA-N 2 1 228.380 1.310 20 0 BDADMP CC(C)Cn1nccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001575681503 993091075 /nfs/dbraw/zinc/09/10/75/993091075.db2.gz NJQKCFSJQUZDCQ-XYPYZODXSA-N 2 1 222.336 1.118 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[N@H+](C)C1 ZINC001575839264 993111981 /nfs/dbraw/zinc/11/19/81/993111981.db2.gz VHDIZUYOXHPUQL-NWDGAFQWSA-N 2 1 213.369 1.044 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1CCC[N@@H+](C)C1 ZINC001575839264 993111985 /nfs/dbraw/zinc/11/19/85/993111985.db2.gz VHDIZUYOXHPUQL-NWDGAFQWSA-N 2 1 213.369 1.044 20 0 BDADMP CC(C)n1cncc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001575904742 993121781 /nfs/dbraw/zinc/12/17/81/993121781.db2.gz YDCVJQIWVRFMIA-NEPJUHHUSA-N 2 1 236.363 1.409 20 0 BDADMP C[C@@H](CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC001575966879 993143350 /nfs/dbraw/zinc/14/33/50/993143350.db2.gz ISMZDJRJXUOTIT-STQMWFEESA-N 3 1 241.423 1.694 20 0 BDADMP C[C@@H](CO)[N@@H+](CC1CCC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC001576038509 993162087 /nfs/dbraw/zinc/16/20/87/993162087.db2.gz VZYYYFQNBWYSOS-DYEKYZERSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001576066145 993170040 /nfs/dbraw/zinc/17/00/40/993170040.db2.gz KXDMPGMLIJTMIX-NQBHXWOUSA-N 2 1 234.347 1.138 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001576104779 993183669 /nfs/dbraw/zinc/18/36/69/993183669.db2.gz IXBGVQBRPBYOOH-SAAXCQNUSA-N 2 1 242.363 1.432 20 0 BDADMP C[C@H]([NH2+]C1CC2(C[C@H]2[NH3+])C1)c1csnn1 ZINC001576238935 993226902 /nfs/dbraw/zinc/22/69/02/993226902.db2.gz JJTUIPWZLGDKHC-KEQQSLRCSA-N 2 1 224.333 1.069 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@]1(C)CCCCO1)C2 ZINC001576503338 993317965 /nfs/dbraw/zinc/31/79/65/993317965.db2.gz OUHZKOZYKTWCBC-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP CC1(C)OC[C@@H](CC[N@@H+]2CCCC[C@H]2C[NH3+])O1 ZINC001576495825 993322973 /nfs/dbraw/zinc/32/29/73/993322973.db2.gz WJJHOQVTAXMPKS-NWDGAFQWSA-N 2 1 242.363 1.341 20 0 BDADMP CC1(C)OC[C@@H](CC[N@H+]2CCCC[C@H]2C[NH3+])O1 ZINC001576495825 993322979 /nfs/dbraw/zinc/32/29/79/993322979.db2.gz WJJHOQVTAXMPKS-NWDGAFQWSA-N 2 1 242.363 1.341 20 0 BDADMP O[C@H](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000380820858 993351799 /nfs/dbraw/zinc/35/17/99/993351799.db2.gz XPJFARNNPIGSNZ-QLFBSQMISA-N 2 1 246.354 1.261 20 0 BDADMP CC1CC(C[N@@H+]2CCO[C@]3(CC[NH2+]C3)C2)C1 ZINC001576597751 993361993 /nfs/dbraw/zinc/36/19/93/993361993.db2.gz HGZAOXOHFPCGOA-BPCQOVAHSA-N 2 1 224.348 1.097 20 0 BDADMP CC1CC(C[N@H+]2CCO[C@]3(CC[NH2+]C3)C2)C1 ZINC001576597751 993361998 /nfs/dbraw/zinc/36/19/98/993361998.db2.gz HGZAOXOHFPCGOA-BPCQOVAHSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001576622180 993373025 /nfs/dbraw/zinc/37/30/25/993373025.db2.gz AURDGLJZAUVHLZ-IRCOFANPSA-N 2 1 212.337 1.284 20 0 BDADMP CCCCC[N@@H+](C)C[C@H](O)C[NH+](CC)CC ZINC000381270479 993382547 /nfs/dbraw/zinc/38/25/47/993382547.db2.gz VJDLUWIPXOUDNQ-ZDUSSCGKSA-N 2 1 230.396 1.811 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C[NH2+]1 ZINC001576665883 993387326 /nfs/dbraw/zinc/38/73/26/993387326.db2.gz HUBWMKWISOSCRF-RKQHYHRCSA-N 2 1 237.391 1.057 20 0 BDADMP CSCC[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000381362416 993389488 /nfs/dbraw/zinc/38/94/88/993389488.db2.gz FXGCICZZKBVPMP-RYUDHWBXSA-N 2 1 246.420 1.174 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1CO ZINC001576728987 993403562 /nfs/dbraw/zinc/40/35/62/993403562.db2.gz BKTZFCILYQWLCP-HZSPNIEDSA-N 2 1 240.391 1.326 20 0 BDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576731937 993408687 /nfs/dbraw/zinc/40/86/87/993408687.db2.gz PQKBGCBNAZNZOI-POQQGIQPSA-N 2 1 240.391 1.323 20 0 BDADMP C[C@H]1C[N@@H+](C[C@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799783 993425456 /nfs/dbraw/zinc/42/54/56/993425456.db2.gz CNZPXQFCLVDGIT-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC001576806041 993429018 /nfs/dbraw/zinc/42/90/18/993429018.db2.gz ALWITKBWAFVTNM-WVWOOGAGSA-N 2 1 248.374 1.193 20 0 BDADMP C[C@@H]1Cc2n[nH]cc2C[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001576861801 993438142 /nfs/dbraw/zinc/43/81/42/993438142.db2.gz HYAZJZCTQNDBIM-VXGBXAGGSA-N 2 1 248.374 1.404 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000382201835 993442521 /nfs/dbraw/zinc/44/25/21/993442521.db2.gz FIHFJJKWHKBEQY-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C[C@H]1CCC[N@H+]1C ZINC001576880934 993442968 /nfs/dbraw/zinc/44/29/68/993442968.db2.gz JINGOSIPRBEJIL-YVECIDJPSA-N 2 1 225.380 1.151 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000382201833 993443634 /nfs/dbraw/zinc/44/36/34/993443634.db2.gz FIHFJJKWHKBEQY-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP CC[C@@](C)(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC001576949876 993464407 /nfs/dbraw/zinc/46/44/07/993464407.db2.gz TYDFGKYDAUQOOJ-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@@H+](C)CCC[NH2+]C)OC ZINC001576960483 993468105 /nfs/dbraw/zinc/46/81/05/993468105.db2.gz DVXJZADGRIWVGR-VXGBXAGGSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001576965739 993472759 /nfs/dbraw/zinc/47/27/59/993472759.db2.gz DHJZDVGTYQFIMB-DDHJBXDOSA-N 2 1 242.363 1.101 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2)OC ZINC001576970372 993475526 /nfs/dbraw/zinc/47/55/26/993475526.db2.gz IPDHRPMBFQSQOF-IGQOVBAYSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577093063 993501981 /nfs/dbraw/zinc/50/19/81/993501981.db2.gz NYUKWCWQGJPJLQ-SFYZADRCSA-N 2 1 228.258 1.281 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000383679791 993511938 /nfs/dbraw/zinc/51/19/38/993511938.db2.gz QLRYSIHGMUGSNX-LBPRGKRZSA-N 2 1 237.347 1.852 20 0 BDADMP CC[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]CC[C@@]2(C)O)[C@H]1C ZINC001577262968 993568117 /nfs/dbraw/zinc/56/81/17/993568117.db2.gz NHFJWVRDXVHQLP-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1CC[N@H+]([C@@H]2C[NH2+]CC[C@@]2(C)O)[C@H]1C ZINC001577262968 993568130 /nfs/dbraw/zinc/56/81/30/993568130.db2.gz NHFJWVRDXVHQLP-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP CCC[C@@](C)(O)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577330773 993595796 /nfs/dbraw/zinc/59/57/96/993595796.db2.gz GDIXVFIBCGSTPU-DTWKUNHWSA-N 2 1 242.285 1.407 20 0 BDADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H](O)C[NH2+]C)C1 ZINC001577371657 993627610 /nfs/dbraw/zinc/62/76/10/993627610.db2.gz GCBUIPSIXSGSBR-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP C[N@@H+](CCCC[NH3+])C[C@@H]1Cc2ccccc2O1 ZINC000385068221 993647720 /nfs/dbraw/zinc/64/77/20/993647720.db2.gz CJUVGNBVCYVOBI-ZDUSSCGKSA-N 2 1 234.343 1.661 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC001577445412 993665535 /nfs/dbraw/zinc/66/55/35/993665535.db2.gz RJZYONYBBGUMRA-VXGBXAGGSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@H+](CC(=O)NC)CC(CC)(CC)C[NH3+] ZINC001577504503 993671236 /nfs/dbraw/zinc/67/12/36/993671236.db2.gz SXKSQLOZNJCMDU-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP CCC[N@@H+](CC(=O)NC)CC(CC)(CC)C[NH3+] ZINC001577504503 993671246 /nfs/dbraw/zinc/67/12/46/993671246.db2.gz SXKSQLOZNJCMDU-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001577510251 993675991 /nfs/dbraw/zinc/67/59/91/993675991.db2.gz HKULHHNMDDQFAJ-SRVKXCTJSA-N 2 1 243.395 1.206 20 0 BDADMP CCCNC(=O)CCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC001577539065 993681767 /nfs/dbraw/zinc/68/17/67/993681767.db2.gz SQZBSWPROFHCTF-CYBMUJFWSA-N 2 1 243.395 1.256 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C(=O)OC ZINC001577600964 993694330 /nfs/dbraw/zinc/69/43/30/993694330.db2.gz XGDAXXXXTIMEPS-IJLUTSLNSA-N 2 1 242.363 1.306 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386807939 993695699 /nfs/dbraw/zinc/69/56/99/993695699.db2.gz CZFNBKZEUSYSNW-OAHLLOKOSA-N 2 1 247.386 1.460 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2CCC[NH+](C)CC2)C1 ZINC000389315889 993744377 /nfs/dbraw/zinc/74/43/77/993744377.db2.gz GPGNUTHYGYRUCU-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CCC[N@H+](C)CC2)C1 ZINC000389315889 993744380 /nfs/dbraw/zinc/74/43/80/993744380.db2.gz GPGNUTHYGYRUCU-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CCC[N@@H+](C)CC2)C1 ZINC000389315889 993744389 /nfs/dbraw/zinc/74/43/89/993744389.db2.gz GPGNUTHYGYRUCU-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)N1CC[C@@H]([NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC000389315889 993744396 /nfs/dbraw/zinc/74/43/96/993744396.db2.gz GPGNUTHYGYRUCU-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)N1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC000389315889 993744406 /nfs/dbraw/zinc/74/44/06/993744406.db2.gz GPGNUTHYGYRUCU-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP Cn1cccc1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000390568359 993795145 /nfs/dbraw/zinc/79/51/45/993795145.db2.gz UJUUFAQRYZYJII-GFCCVEGCSA-N 2 1 221.348 1.599 20 0 BDADMP COc1cncc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000700050425 993817414 /nfs/dbraw/zinc/81/74/14/993817414.db2.gz DVINQIWGEOWYTE-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1cncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000700050425 993817417 /nfs/dbraw/zinc/81/74/17/993817417.db2.gz DVINQIWGEOWYTE-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP CC(C)O[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000701664639 993896102 /nfs/dbraw/zinc/89/61/02/993896102.db2.gz YNBWZKAGXFNCSI-ZDUSSCGKSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000393988161 994027198 /nfs/dbraw/zinc/02/71/98/994027198.db2.gz NYQPSCFCUNVPNL-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP CCOC(C)(C)C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000702680287 994036431 /nfs/dbraw/zinc/03/64/31/994036431.db2.gz ZEGMEMZBKYHGKH-MNOVXSKESA-N 2 1 214.353 1.471 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000702680287 994036439 /nfs/dbraw/zinc/03/64/39/994036439.db2.gz ZEGMEMZBKYHGKH-MNOVXSKESA-N 2 1 214.353 1.471 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000704891929 994051844 /nfs/dbraw/zinc/05/18/44/994051844.db2.gz SULZTABVDUFCDK-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000704891929 994051851 /nfs/dbraw/zinc/05/18/51/994051851.db2.gz SULZTABVDUFCDK-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C(C)C)[NH+](C)C ZINC001282413821 994233346 /nfs/dbraw/zinc/23/33/46/994233346.db2.gz TWHRGGUKBUPQQD-VXGBXAGGSA-N 2 1 243.395 1.172 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCSC1 ZINC000822127074 994417702 /nfs/dbraw/zinc/41/77/02/994417702.db2.gz FFAKEAJWNZEFFH-RYUDHWBXSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]CC2(O)CCC2)C12CCC2 ZINC001335531581 994803855 /nfs/dbraw/zinc/80/38/55/994803855.db2.gz VNGOLIKYORZWNK-VXGBXAGGSA-N 2 1 238.375 1.364 20 0 BDADMP Nc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC001338030392 995225411 /nfs/dbraw/zinc/22/54/11/995225411.db2.gz YOKKVIUGRULFAQ-QWRGUYRKSA-N 2 1 247.346 1.488 20 0 BDADMP Nc1nc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC001338030392 995225423 /nfs/dbraw/zinc/22/54/23/995225423.db2.gz YOKKVIUGRULFAQ-QWRGUYRKSA-N 2 1 247.346 1.488 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378717619 346814900 /nfs/dbraw/zinc/81/49/00/346814900.db2.gz ARVHBDMTCHVDJX-NNYUYHANSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378717619 346814903 /nfs/dbraw/zinc/81/49/03/346814903.db2.gz ARVHBDMTCHVDJX-NNYUYHANSA-N 2 1 214.328 1.807 20 0 BDADMP CC(C)[C@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000336762204 187322799 /nfs/dbraw/zinc/32/27/99/187322799.db2.gz NXWSYUHWDHIVPG-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH+]1C)CCn1cccn1 ZINC000161790633 349497935 /nfs/dbraw/zinc/49/79/35/349497935.db2.gz VMCNACYIPNHTOB-CYBMUJFWSA-N 2 1 236.363 1.299 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CCn1cccn1 ZINC000161790633 349497939 /nfs/dbraw/zinc/49/79/39/349497939.db2.gz VMCNACYIPNHTOB-CYBMUJFWSA-N 2 1 236.363 1.299 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CCn1cccn1 ZINC000161790633 349497941 /nfs/dbraw/zinc/49/79/41/349497941.db2.gz VMCNACYIPNHTOB-CYBMUJFWSA-N 2 1 236.363 1.299 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CCn1cccn1 ZINC000161790633 349497943 /nfs/dbraw/zinc/49/79/43/349497943.db2.gz VMCNACYIPNHTOB-CYBMUJFWSA-N 2 1 236.363 1.299 20 0 BDADMP CCN1CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000415012872 398154399 /nfs/dbraw/zinc/15/43/99/398154399.db2.gz XWRGXYRPMPQELS-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP COC[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000162152617 538921009 /nfs/dbraw/zinc/92/10/09/538921009.db2.gz CFLITSHLUZQPIS-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP COC[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000162152617 538921011 /nfs/dbraw/zinc/92/10/11/538921011.db2.gz CFLITSHLUZQPIS-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000379947463 398178072 /nfs/dbraw/zinc/17/80/72/398178072.db2.gz ZGBBNTOHHAIKRM-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]CCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424291353 398180816 /nfs/dbraw/zinc/18/08/16/398180816.db2.gz NPKUSDJMMKXRGV-GFCCVEGCSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])c1cccc(N2CCOCC2)c1 ZINC000423174051 398164394 /nfs/dbraw/zinc/16/43/94/398164394.db2.gz BCDQRRKMOPGVGI-GFCCVEGCSA-N 2 1 249.358 1.133 20 0 BDADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050580341 178085281 /nfs/dbraw/zinc/08/52/81/178085281.db2.gz NSFNHIIUSCNZJO-LLVKDONJSA-N 2 1 222.307 1.915 20 0 BDADMP [NH3+]C[C@H]1CCCN1c1cc[nH+]cc1Cl ZINC000086840544 398192017 /nfs/dbraw/zinc/19/20/17/398192017.db2.gz BOMMWCFSZHFRGQ-MRVPVSSYSA-N 2 1 211.696 1.663 20 0 BDADMP Clc1c[nH+]ccc1N[C@@H]1CCC[NH2+]C1 ZINC000086839912 398192093 /nfs/dbraw/zinc/19/20/93/398192093.db2.gz HPICNRQERLUFPQ-MRVPVSSYSA-N 2 1 211.696 1.899 20 0 BDADMP C[C@H]1OCC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000380588348 398201518 /nfs/dbraw/zinc/20/15/18/398201518.db2.gz SCBNHUFZRDZPPM-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP c1cnn(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000649408926 398208425 /nfs/dbraw/zinc/20/84/25/398208425.db2.gz JKLVHIZBSZFDHL-UHFFFAOYSA-N 2 1 234.347 1.100 20 0 BDADMP C[C@H]([NH2+]CC(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000386626223 398214293 /nfs/dbraw/zinc/21/42/93/398214293.db2.gz ZBDMYHPOXFSAOJ-QWRGUYRKSA-N 2 1 214.353 1.125 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C ZINC000380980442 398215822 /nfs/dbraw/zinc/21/58/22/398215822.db2.gz CHGXLPNFZFJTGS-STQMWFEESA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000380980442 398215826 /nfs/dbraw/zinc/21/58/26/398215826.db2.gz CHGXLPNFZFJTGS-STQMWFEESA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000380980442 398215831 /nfs/dbraw/zinc/21/58/31/398215831.db2.gz CHGXLPNFZFJTGS-STQMWFEESA-N 2 1 228.380 1.562 20 0 BDADMP CN(CC[N@@H+](C)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000649413009 398211334 /nfs/dbraw/zinc/21/13/34/398211334.db2.gz HKHADRCPGJGDBN-AWEZNQCLSA-N 2 1 247.386 1.664 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000649413857 398211784 /nfs/dbraw/zinc/21/17/84/398211784.db2.gz NRBMPSOFPVMPGS-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000044503069 178166369 /nfs/dbraw/zinc/16/63/69/178166369.db2.gz VFFMAQUSQBHZEE-LLVKDONJSA-N 2 1 220.320 1.505 20 0 BDADMP Cc1cc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)on1 ZINC000647880346 398222888 /nfs/dbraw/zinc/22/28/88/398222888.db2.gz KLLUXWKVHGHEBT-NWDGAFQWSA-N 2 1 235.331 1.729 20 0 BDADMP Cc1cc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)on1 ZINC000647880346 398222894 /nfs/dbraw/zinc/22/28/94/398222894.db2.gz KLLUXWKVHGHEBT-NWDGAFQWSA-N 2 1 235.331 1.729 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000576528316 365619067 /nfs/dbraw/zinc/61/90/67/365619067.db2.gz FKFBUQQYOOBJBG-SNVBAGLBSA-N 2 1 245.330 1.412 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000286036763 538943101 /nfs/dbraw/zinc/94/31/01/538943101.db2.gz KKDSYFBPNWUOKS-WDEREUQCSA-N 2 1 247.346 1.902 20 0 BDADMP C[C@@H](CO)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000162052346 349539059 /nfs/dbraw/zinc/53/90/59/349539059.db2.gz AWNVHPUQAJLVAR-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000306866857 259310416 /nfs/dbraw/zinc/31/04/16/259310416.db2.gz ONBYDEKPIJKHOZ-AEJSXWLSSA-N 2 1 200.351 1.222 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)OC ZINC000381337594 398252259 /nfs/dbraw/zinc/25/22/59/398252259.db2.gz AUEJXUFGEUESIB-BFHYXJOUSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000386834922 398266383 /nfs/dbraw/zinc/26/63/83/398266383.db2.gz WOUCKRLHLWSFTN-YPMHNXCESA-N 2 1 236.363 1.169 20 0 BDADMP FC1(F)C[C@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000650514501 398276626 /nfs/dbraw/zinc/27/66/26/398276626.db2.gz MUKKHRNNPGJVRX-NSHDSACASA-N 2 1 230.302 1.717 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000126295806 398281207 /nfs/dbraw/zinc/28/12/07/398281207.db2.gz NAWATUIMPMSIED-FRRDWIJNSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000335609800 136236679 /nfs/dbraw/zinc/23/66/79/136236679.db2.gz IGMWHTDZABWIDP-PSASIEDQSA-N 2 1 218.291 1.619 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000335610923 136237301 /nfs/dbraw/zinc/23/73/01/136237301.db2.gz HCAXYXNUHMOGFA-WCQYABFASA-N 2 1 233.359 1.686 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000335613719 136237364 /nfs/dbraw/zinc/23/73/64/136237364.db2.gz VUTVNJSYMWDRAF-RYUDHWBXSA-N 2 1 222.336 1.468 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000381110558 538995129 /nfs/dbraw/zinc/99/51/29/538995129.db2.gz ZVCBTBZFFFNDQF-LBPRGKRZSA-N 2 1 228.380 1.590 20 0 BDADMP C[N@H+]1CC[C@@H](NC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000335626074 136240824 /nfs/dbraw/zinc/24/08/24/136240824.db2.gz XDYWCVFTUKMIKG-HIFRSBDPSA-N 2 1 245.370 1.383 20 0 BDADMP C/C=C/C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624199185 342842038 /nfs/dbraw/zinc/84/20/38/342842038.db2.gz IQIXAERSRJRIHA-BAABZTOOSA-N 2 1 238.375 1.796 20 0 BDADMP Cc1nc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000390561475 539026517 /nfs/dbraw/zinc/02/65/17/539026517.db2.gz SCQOZAJEBOTWEY-GHMZBOCLSA-N 2 1 237.372 1.145 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000335634082 136241551 /nfs/dbraw/zinc/24/15/51/136241551.db2.gz MBAJEZLMRACDHQ-UONOGXRCSA-N 2 1 248.374 1.242 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634217 136241918 /nfs/dbraw/zinc/24/19/18/136241918.db2.gz NSQXKOAFABTUCH-QWHCGFSZSA-N 2 1 248.374 1.242 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000335644413 136243529 /nfs/dbraw/zinc/24/35/29/136243529.db2.gz VHGJKBXHXDXMCZ-KBPBESRZSA-N 2 1 246.354 1.504 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000336478598 398319837 /nfs/dbraw/zinc/31/98/37/398319837.db2.gz UAHBIARNEINHPW-JOYOIKCWSA-N 2 1 236.363 1.586 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351618780 136248179 /nfs/dbraw/zinc/24/81/79/136248179.db2.gz IMOIWONXUXTRHM-BNOWGMLFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351618780 136248180 /nfs/dbraw/zinc/24/81/80/136248180.db2.gz IMOIWONXUXTRHM-BNOWGMLFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351618780 136248181 /nfs/dbraw/zinc/24/81/81/136248181.db2.gz IMOIWONXUXTRHM-BNOWGMLFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351618780 136248182 /nfs/dbraw/zinc/24/81/82/136248182.db2.gz IMOIWONXUXTRHM-BNOWGMLFSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@]1(O)CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000495201337 529441337 /nfs/dbraw/zinc/44/13/37/529441337.db2.gz KRTVHGZAARSTIG-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP CC[C@]1(O)CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000495201337 529441338 /nfs/dbraw/zinc/44/13/38/529441338.db2.gz KRTVHGZAARSTIG-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP COC1CC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000234689297 342933529 /nfs/dbraw/zinc/93/35/29/342933529.db2.gz BNJYSNSFDGMFET-HIFPTAJRSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H](F)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000351730528 136250483 /nfs/dbraw/zinc/25/04/83/136250483.db2.gz PHZSIZRRVQMGPU-ZDUSSCGKSA-N 2 1 245.386 1.304 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC1=[NH+]CCCN1 ZINC000448103556 398340077 /nfs/dbraw/zinc/34/00/77/398340077.db2.gz UMSCHQPHVUGRQR-NSHDSACASA-N 2 1 238.379 1.046 20 0 BDADMP CCOCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157352730 398340198 /nfs/dbraw/zinc/34/01/98/398340198.db2.gz WWWSQUIPPDIOIB-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP Cc1nc(C)c(C[N@@H+](C)C2CC([NH3+])C2)s1 ZINC000335479674 398341501 /nfs/dbraw/zinc/34/15/01/398341501.db2.gz UWAVARZSESGTKG-UHFFFAOYSA-N 2 1 225.361 1.681 20 0 BDADMP Cc1nc(C)c(C[N@H+](C)C2CC([NH3+])C2)s1 ZINC000335479674 398341502 /nfs/dbraw/zinc/34/15/02/398341502.db2.gz UWAVARZSESGTKG-UHFFFAOYSA-N 2 1 225.361 1.681 20 0 BDADMP CCc1ccccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313358673 259333842 /nfs/dbraw/zinc/33/38/42/259333842.db2.gz QXVGYXIVFJGDIX-HNNXBMFYSA-N 2 1 248.370 1.799 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCOCC2)[C@H](C)C1 ZINC000176000352 346903724 /nfs/dbraw/zinc/90/37/24/346903724.db2.gz MYMLIVURMNINHL-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000053498768 346905321 /nfs/dbraw/zinc/90/53/21/346905321.db2.gz RBPOJZSHPVZONB-VIFPVBQESA-N 2 1 224.270 1.870 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000053498768 346905323 /nfs/dbraw/zinc/90/53/23/346905323.db2.gz RBPOJZSHPVZONB-VIFPVBQESA-N 2 1 224.270 1.870 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000353440526 187209015 /nfs/dbraw/zinc/20/90/15/187209015.db2.gz KTYIPZNJUDBOOZ-RDBSUJKOSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@]1(O)CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000495201336 529573791 /nfs/dbraw/zinc/57/37/91/529573791.db2.gz KRTVHGZAARSTIG-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP CC[C@@]1(O)CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000495201336 529573794 /nfs/dbraw/zinc/57/37/94/529573794.db2.gz KRTVHGZAARSTIG-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1cccn1C ZINC000020359828 342983627 /nfs/dbraw/zinc/98/36/27/342983627.db2.gz HHGFOZXBBCSMIG-UHFFFAOYSA-N 2 1 223.364 1.847 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000361267155 187218381 /nfs/dbraw/zinc/21/83/81/187218381.db2.gz QRMRPINTRHCHFZ-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCCCCC1 ZINC000310550696 259344639 /nfs/dbraw/zinc/34/46/39/259344639.db2.gz UKJOZNPLEPVHOE-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCCCCC1 ZINC000310550696 259344641 /nfs/dbraw/zinc/34/46/41/259344641.db2.gz UKJOZNPLEPVHOE-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCCCCC1 ZINC000310550696 259344642 /nfs/dbraw/zinc/34/46/42/259344642.db2.gz UKJOZNPLEPVHOE-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCCCCC1 ZINC000310550696 259344644 /nfs/dbraw/zinc/34/46/44/259344644.db2.gz UKJOZNPLEPVHOE-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP C(C[N@@H+]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000224164514 187228691 /nfs/dbraw/zinc/22/86/91/187228691.db2.gz GRXDFTCXTXLLMJ-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP C(C[N@H+]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000224164514 187228692 /nfs/dbraw/zinc/22/86/92/187228692.db2.gz GRXDFTCXTXLLMJ-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000042821735 362026211 /nfs/dbraw/zinc/02/62/11/362026211.db2.gz YPLLHDHUWPWLPF-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394415418 259353105 /nfs/dbraw/zinc/35/31/05/259353105.db2.gz BZZWATWSJYDBHK-ACJTYDJDSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@H](O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394415418 259353107 /nfs/dbraw/zinc/35/31/07/259353107.db2.gz BZZWATWSJYDBHK-ACJTYDJDSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@H](O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394415418 259353109 /nfs/dbraw/zinc/35/31/09/259353109.db2.gz BZZWATWSJYDBHK-ACJTYDJDSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394415420 259352816 /nfs/dbraw/zinc/35/28/16/259352816.db2.gz BZZWATWSJYDBHK-FKJOKYEKSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H](O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394415420 259352817 /nfs/dbraw/zinc/35/28/17/259352817.db2.gz BZZWATWSJYDBHK-FKJOKYEKSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H](O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394415420 259352819 /nfs/dbraw/zinc/35/28/19/259352819.db2.gz BZZWATWSJYDBHK-FKJOKYEKSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000131515944 343183805 /nfs/dbraw/zinc/18/38/05/343183805.db2.gz HUFLUVPXIPNYGN-BXUZGUMPSA-N 2 1 246.354 1.933 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126712518 343171168 /nfs/dbraw/zinc/17/11/68/343171168.db2.gz JWSPZLUWFLHFSD-OUAUKWLOSA-N 2 1 220.320 1.207 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126712518 343171169 /nfs/dbraw/zinc/17/11/69/343171169.db2.gz JWSPZLUWFLHFSD-OUAUKWLOSA-N 2 1 220.320 1.207 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000162513807 343205147 /nfs/dbraw/zinc/20/51/47/343205147.db2.gz IAUOFBXJOSMTKF-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000162513807 343205150 /nfs/dbraw/zinc/20/51/50/343205150.db2.gz IAUOFBXJOSMTKF-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000311232356 136275706 /nfs/dbraw/zinc/27/57/06/136275706.db2.gz UGUDTYUOLMDYJI-OKILXGFUSA-N 2 1 246.354 1.824 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1(C)CC1 ZINC000308778971 187249344 /nfs/dbraw/zinc/24/93/44/187249344.db2.gz BTKVEQITNNYUJF-JTQLQIEISA-N 2 1 207.321 1.970 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000634688067 343246878 /nfs/dbraw/zinc/24/68/78/343246878.db2.gz HEBOOCKBNCQPES-FDYHWXHSSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000634688067 343246881 /nfs/dbraw/zinc/24/68/81/343246881.db2.gz HEBOOCKBNCQPES-FDYHWXHSSA-N 2 1 224.348 1.367 20 0 BDADMP Cn1nccc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000634688655 343248323 /nfs/dbraw/zinc/24/83/23/343248323.db2.gz ZQYVBMAZGCXCCH-OCCSQVGLSA-N 2 1 248.374 1.037 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000348757313 136297591 /nfs/dbraw/zinc/29/75/91/136297591.db2.gz VAOCYXGZXCLIIY-AWEZNQCLSA-N 2 1 248.374 1.267 20 0 BDADMP Cc1nccn1CCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000348754938 136297700 /nfs/dbraw/zinc/29/77/00/136297700.db2.gz DTPNKGQRFFTKLJ-AAEUAGOBSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000348754938 136297701 /nfs/dbraw/zinc/29/77/01/136297701.db2.gz DTPNKGQRFFTKLJ-AAEUAGOBSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000348754938 136297702 /nfs/dbraw/zinc/29/77/02/136297702.db2.gz DTPNKGQRFFTKLJ-AAEUAGOBSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1cccc(NC2CC[NH+](C)CC2)[nH+]1 ZINC000037670658 187253479 /nfs/dbraw/zinc/25/34/79/187253479.db2.gz UPYMWZLDBOLBOA-UHFFFAOYSA-N 2 1 205.305 1.896 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000070624131 343336064 /nfs/dbraw/zinc/33/60/64/343336064.db2.gz MLBRZJPXVLNBRW-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CN1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000037248630 343340851 /nfs/dbraw/zinc/34/08/51/343340851.db2.gz VKDNDUVQMBFNBC-UHFFFAOYSA-N 2 1 220.316 1.576 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335637927 136302823 /nfs/dbraw/zinc/30/28/23/136302823.db2.gz YSSXQUBMHDQEQO-OLZOCXBDSA-N 2 1 248.374 1.242 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2ccncc2)CC1 ZINC000037661377 343350815 /nfs/dbraw/zinc/35/08/15/343350815.db2.gz GQWYKTURFIGKEM-UHFFFAOYSA-N 2 1 219.332 1.308 20 0 BDADMP CCN(CCC[NH+](C)C)Cc1c[nH+]c(C)n1C ZINC000668165973 488212285 /nfs/dbraw/zinc/21/22/85/488212285.db2.gz LSQFVZBGFFRGOT-UHFFFAOYSA-N 2 1 238.379 1.502 20 0 BDADMP c1ccc2c(c1)CC([NH2+][C@@H]1CCCC[NH2+]C1)C2 ZINC000335643078 136308927 /nfs/dbraw/zinc/30/89/27/136308927.db2.gz MPIBDFKBQREQNJ-CQSZACIVSA-N 2 1 230.355 1.886 20 0 BDADMP c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000335642348 136309017 /nfs/dbraw/zinc/30/90/17/136309017.db2.gz IBDSHBXGVCGXEN-CQSZACIVSA-N 2 1 245.370 1.607 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166226663 136314031 /nfs/dbraw/zinc/31/40/31/136314031.db2.gz QOFSTNNYOOKLDP-KCJUWKMLSA-N 2 1 223.320 1.461 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918196 187260612 /nfs/dbraw/zinc/26/06/12/187260612.db2.gz PATZABMBWIVXPY-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000349151974 136326592 /nfs/dbraw/zinc/32/65/92/136326592.db2.gz PFSNJLNSKSNCHW-UTUOFQBUSA-N 2 1 219.332 1.865 20 0 BDADMP CC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000166332384 136350541 /nfs/dbraw/zinc/35/05/41/136350541.db2.gz ZPUUIYUBKCJXPN-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@H]1CCCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351605139 136369784 /nfs/dbraw/zinc/36/97/84/136369784.db2.gz NHVUNVRJRPTUPA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351605139 136369785 /nfs/dbraw/zinc/36/97/85/136369785.db2.gz NHVUNVRJRPTUPA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351605139 136369786 /nfs/dbraw/zinc/36/97/86/136369786.db2.gz NHVUNVRJRPTUPA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351605139 136369787 /nfs/dbraw/zinc/36/97/87/136369787.db2.gz NHVUNVRJRPTUPA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000083527331 343488457 /nfs/dbraw/zinc/48/84/57/343488457.db2.gz PWORWZZUJUJVOV-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000083527331 343488460 /nfs/dbraw/zinc/48/84/60/343488460.db2.gz PWORWZZUJUJVOV-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H](O)C[N@@H+](CCC[NH3+])C1CCCCC1 ZINC000083676400 343495673 /nfs/dbraw/zinc/49/56/73/343495673.db2.gz RKZWFTZBGGQNCW-LLVKDONJSA-N 2 1 214.353 1.351 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1(C)C ZINC000379950622 365761547 /nfs/dbraw/zinc/76/15/47/365761547.db2.gz FDBZLLXLLVBSCG-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1(C)C ZINC000379950622 365761550 /nfs/dbraw/zinc/76/15/50/365761550.db2.gz FDBZLLXLLVBSCG-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC1(C)C ZINC000379950622 365761556 /nfs/dbraw/zinc/76/15/56/365761556.db2.gz FDBZLLXLLVBSCG-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC1(C)C ZINC000379950622 365761559 /nfs/dbraw/zinc/76/15/59/365761559.db2.gz FDBZLLXLLVBSCG-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000379944598 365755584 /nfs/dbraw/zinc/75/55/84/365755584.db2.gz ISZVXNYIAJWLRN-VXGBXAGGSA-N 2 1 216.369 1.587 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000379944598 365755590 /nfs/dbraw/zinc/75/55/90/365755590.db2.gz ISZVXNYIAJWLRN-VXGBXAGGSA-N 2 1 216.369 1.587 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000379584273 343577521 /nfs/dbraw/zinc/57/75/21/343577521.db2.gz ULUYCBHBOAMSCN-CYBMUJFWSA-N 2 1 238.375 1.653 20 0 BDADMP CCC[C@H]([NH3+])c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165339 362248992 /nfs/dbraw/zinc/24/89/92/362248992.db2.gz BQVMHWKUHJQNCG-JTQLQIEISA-N 2 1 246.318 1.104 20 0 BDADMP CO[C@@H](C)C[N@H+](C)CCn1cc[nH+]c1C ZINC000285784348 187345425 /nfs/dbraw/zinc/34/54/25/187345425.db2.gz STJABPNRAJSELG-JTQLQIEISA-N 2 1 211.309 1.158 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000285784348 187345426 /nfs/dbraw/zinc/34/54/26/187345426.db2.gz STJABPNRAJSELG-JTQLQIEISA-N 2 1 211.309 1.158 20 0 BDADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)c1cccs1 ZINC000087619454 343654494 /nfs/dbraw/zinc/65/44/94/343654494.db2.gz BFSRWIIUPPALTF-SNVBAGLBSA-N 2 1 224.373 1.977 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538483 537805976 /nfs/dbraw/zinc/80/59/76/537805976.db2.gz SVVJTLMQVXFJPC-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc2c1OCC2 ZINC000096477834 343746510 /nfs/dbraw/zinc/74/65/10/343746510.db2.gz KSOMJVRYCGZNEI-KBPBESRZSA-N 2 1 244.338 1.273 20 0 BDADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336699164 537826632 /nfs/dbraw/zinc/82/66/32/537826632.db2.gz ZSVLZBMRXOLZHG-AVGNSLFASA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336699164 537826638 /nfs/dbraw/zinc/82/66/38/537826638.db2.gz ZSVLZBMRXOLZHG-AVGNSLFASA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570510014 323061801 /nfs/dbraw/zinc/06/18/01/323061801.db2.gz SYHNPLIEHXQDQA-FRRDWIJNSA-N 2 1 226.364 1.076 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000621775786 343900041 /nfs/dbraw/zinc/90/00/41/343900041.db2.gz YSGRZKVTHYDAPF-CYBMUJFWSA-N 2 1 236.363 1.116 20 0 BDADMP CCC(C)(C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000634725324 343946840 /nfs/dbraw/zinc/94/68/40/343946840.db2.gz OQWXIOLMMGTLAI-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP CCC(C)(C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634725324 343946842 /nfs/dbraw/zinc/94/68/42/343946842.db2.gz OQWXIOLMMGTLAI-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049707578 187357469 /nfs/dbraw/zinc/35/74/69/187357469.db2.gz GWVWTAYJWVNJNN-DOMZBBRYSA-N 2 1 248.370 1.907 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000634732943 344108145 /nfs/dbraw/zinc/10/81/45/344108145.db2.gz SEAVHZFBJAJJEJ-GFCCVEGCSA-N 2 1 233.359 1.949 20 0 BDADMP Cn1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000211853608 344210172 /nfs/dbraw/zinc/21/01/72/344210172.db2.gz XIZGBJFSNSRLSQ-AWEZNQCLSA-N 2 1 248.374 1.384 20 0 BDADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[N@@H+](C)C(C)C ZINC000236664815 187289469 /nfs/dbraw/zinc/28/94/69/187289469.db2.gz KMTWDCVQRFAJBM-ZDUSSCGKSA-N 2 1 243.395 1.206 20 0 BDADMP C[C@@]1(C[N@H+]2CCSC(C)(C)C2)CC[NH2+]C1 ZINC000133335711 344315505 /nfs/dbraw/zinc/31/55/05/344315505.db2.gz UEXBUPMMGDBGIA-GFCCVEGCSA-N 2 1 228.405 1.813 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000600710430 344361000 /nfs/dbraw/zinc/36/10/00/344361000.db2.gz OLEDECXTKGCLDI-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP COC(=O)CCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000600708895 344361141 /nfs/dbraw/zinc/36/11/41/344361141.db2.gz IGWKAGOWRQXWPQ-UHFFFAOYSA-N 2 1 240.347 1.158 20 0 BDADMP COC(=O)CCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000600712292 344361767 /nfs/dbraw/zinc/36/17/67/344361767.db2.gz WIEBZHZTBBTWHT-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000600712292 344361769 /nfs/dbraw/zinc/36/17/69/344361769.db2.gz WIEBZHZTBBTWHT-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP Cc1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000385273076 344385664 /nfs/dbraw/zinc/38/56/64/344385664.db2.gz TVUBWGIRHRFBBF-WCQYABFASA-N 2 1 204.317 1.917 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000385273076 344385667 /nfs/dbraw/zinc/38/56/67/344385667.db2.gz TVUBWGIRHRFBBF-WCQYABFASA-N 2 1 204.317 1.917 20 0 BDADMP C[C@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[NH2+]1 ZINC000634808187 344393103 /nfs/dbraw/zinc/39/31/03/344393103.db2.gz LSPKHDOBVYGNRH-DTWKUNHWSA-N 2 1 231.303 1.510 20 0 BDADMP CCN1CCC([N@@H+](C)CC[C@@H](C)O)CC1 ZINC000044172832 344536699 /nfs/dbraw/zinc/53/66/99/344536699.db2.gz YJOPRTABRAQOGV-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@@H](C)O)CC1 ZINC000044172832 344536701 /nfs/dbraw/zinc/53/67/01/344536701.db2.gz YJOPRTABRAQOGV-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](C)O)CC1 ZINC000044172832 344536703 /nfs/dbraw/zinc/53/67/03/344536703.db2.gz YJOPRTABRAQOGV-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)CCOC)CC1 ZINC000045037584 344554466 /nfs/dbraw/zinc/55/44/66/344554466.db2.gz DEODNGGOGNWPOF-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CC[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000309417862 347058256 /nfs/dbraw/zinc/05/82/56/347058256.db2.gz JMHNVFBNZYSXFS-SSDOTTSWSA-N 2 1 210.281 1.207 20 0 BDADMP CC(C)(C)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000049254495 344601470 /nfs/dbraw/zinc/60/14/70/344601470.db2.gz VGNTYXOMQRRHEN-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)(C)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000049254495 344601472 /nfs/dbraw/zinc/60/14/72/344601472.db2.gz VGNTYXOMQRRHEN-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(C)CC1 ZINC000049551829 344652983 /nfs/dbraw/zinc/65/29/83/344652983.db2.gz QCLBXTJZAKRRCE-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP CC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC000116396735 344728669 /nfs/dbraw/zinc/72/86/69/344728669.db2.gz UYFUTWBBXRCUBH-GHMZBOCLSA-N 2 1 243.395 1.206 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1CSC ZINC000399985260 344747028 /nfs/dbraw/zinc/74/70/28/344747028.db2.gz BJJQRHCRPFSSMG-SNVBAGLBSA-N 2 1 202.367 1.423 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000400002284 344748013 /nfs/dbraw/zinc/74/80/13/344748013.db2.gz OMLPVYFWEFNROD-QWHCGFSZSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400002284 344748014 /nfs/dbraw/zinc/74/80/14/344748014.db2.gz OMLPVYFWEFNROD-QWHCGFSZSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400002284 344748016 /nfs/dbraw/zinc/74/80/16/344748016.db2.gz OMLPVYFWEFNROD-QWHCGFSZSA-N 2 1 226.364 1.031 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493535102 530057044 /nfs/dbraw/zinc/05/70/44/530057044.db2.gz YZQSQNYVZDASFK-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CCN(Cc2nc(C)c[nH]2)C[C@@H]1C ZINC000628168325 344881574 /nfs/dbraw/zinc/88/15/74/344881574.db2.gz RFKHMDBFMIQQGN-NSHDSACASA-N 2 1 222.336 1.244 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CC2 ZINC000305130430 187294172 /nfs/dbraw/zinc/29/41/72/187294172.db2.gz MULJAMFQHSTTJJ-ZFWWWQNUSA-N 2 1 248.370 1.494 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCSC1 ZINC000224621497 344957104 /nfs/dbraw/zinc/95/71/04/344957104.db2.gz GQOMWEAJSGZPQZ-OUAUKWLOSA-N 2 1 214.378 1.551 20 0 BDADMP C([NH2+][C@H]1CCSC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000225018446 187296900 /nfs/dbraw/zinc/29/69/00/187296900.db2.gz MSGUKHMEJOKCJG-QWRGUYRKSA-N 2 1 226.389 1.566 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccoc1 ZINC000579221108 344943595 /nfs/dbraw/zinc/94/35/95/344943595.db2.gz AHHFTTDSPBSBSN-JFGNBEQYSA-N 2 1 208.305 1.928 20 0 BDADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCSC1 ZINC000300234866 187297383 /nfs/dbraw/zinc/29/73/83/187297383.db2.gz XFOYTAQJZRRXSL-FRRDWIJNSA-N 2 1 240.416 1.956 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCSC1 ZINC000300234866 187297385 /nfs/dbraw/zinc/29/73/85/187297385.db2.gz XFOYTAQJZRRXSL-FRRDWIJNSA-N 2 1 240.416 1.956 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227374650 187297611 /nfs/dbraw/zinc/29/76/11/187297611.db2.gz DQBYNFUWAIGCSJ-ZIAGYGMSSA-N 2 1 237.391 1.156 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CCOC2(CCC2)C1 ZINC000154404677 345034281 /nfs/dbraw/zinc/03/42/81/345034281.db2.gz MMGJJRXXXACLKR-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000634990853 345173118 /nfs/dbraw/zinc/17/31/18/345173118.db2.gz FXEHWSQIOOMNSO-FRRDWIJNSA-N 3 1 227.396 1.277 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000634990853 345173122 /nfs/dbraw/zinc/17/31/22/345173122.db2.gz FXEHWSQIOOMNSO-FRRDWIJNSA-N 3 1 227.396 1.277 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000156554937 345175673 /nfs/dbraw/zinc/17/56/73/345175673.db2.gz JDNMREHDHUXTKN-XJFOESAGSA-N 3 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000156554937 345175675 /nfs/dbraw/zinc/17/56/75/345175675.db2.gz JDNMREHDHUXTKN-XJFOESAGSA-N 3 1 239.407 1.541 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000634996893 345186589 /nfs/dbraw/zinc/18/65/89/345186589.db2.gz XULOBXYFYQVZMT-IHRRRGAJSA-N 3 1 239.407 1.278 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000634997597 345197333 /nfs/dbraw/zinc/19/73/33/345197333.db2.gz OOVGMDMKYVSEMM-TUAOUCFPSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1C[NH3+] ZINC000634998701 345198466 /nfs/dbraw/zinc/19/84/66/345198466.db2.gz JLRFVPFQGOQZHN-VHSXEESVSA-N 2 1 210.346 1.775 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000635000136 345201894 /nfs/dbraw/zinc/20/18/94/345201894.db2.gz HWONBRVQXCXUKM-ZYHUDNBSSA-N 2 1 220.316 1.419 20 0 BDADMP c1cc2n(n1)CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000635002088 345203482 /nfs/dbraw/zinc/20/34/82/345203482.db2.gz LIYYHBQYIWSQSI-LLVKDONJSA-N 2 1 220.320 1.060 20 0 BDADMP CC(C)(F)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000635002965 345205591 /nfs/dbraw/zinc/20/55/91/345205591.db2.gz CLAVCRIJHBFHRG-VHSXEESVSA-N 2 1 202.317 1.984 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635005659 345209769 /nfs/dbraw/zinc/20/97/69/345209769.db2.gz WESDZFCPPQPDFH-UTUOFQBUSA-N 2 1 208.349 1.907 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635009416 345211846 /nfs/dbraw/zinc/21/18/46/345211846.db2.gz YKMTWSKOOMCFEN-HAQNSBGRSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000635012208 345214085 /nfs/dbraw/zinc/21/40/85/345214085.db2.gz JMXPTDVBKJYWGJ-UIISKDMLSA-N 2 1 208.227 1.135 20 0 BDADMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)C ZINC000635255062 345288995 /nfs/dbraw/zinc/28/89/95/345288995.db2.gz KTYACGLGYMMFHW-NSHDSACASA-N 2 1 243.395 1.031 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C2CCSCC2)CC1 ZINC000335600515 345416490 /nfs/dbraw/zinc/41/64/90/345416490.db2.gz GKIBCSNUGAPLFW-UHFFFAOYSA-N 2 1 226.389 1.734 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000335604838 345418340 /nfs/dbraw/zinc/41/83/40/345418340.db2.gz UBJYWOZQMWTWKG-JQWIXIFHSA-N 2 1 214.328 1.951 20 0 BDADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCO)C1 ZINC000081636118 345488912 /nfs/dbraw/zinc/48/89/12/345488912.db2.gz ZBEXXIRFEITADC-CYBMUJFWSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCO)C1 ZINC000081636118 345488916 /nfs/dbraw/zinc/48/89/16/345488916.db2.gz ZBEXXIRFEITADC-CYBMUJFWSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCO)C1 ZINC000081636118 345488918 /nfs/dbraw/zinc/48/89/18/345488918.db2.gz ZBEXXIRFEITADC-CYBMUJFWSA-N 2 1 226.364 1.033 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000336650611 187305182 /nfs/dbraw/zinc/30/51/82/187305182.db2.gz DTSMQSXSIQFYRR-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000336650611 187305184 /nfs/dbraw/zinc/30/51/84/187305184.db2.gz DTSMQSXSIQFYRR-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1cc(NC[C@H](C2CC2)[NH+](C)C)nc(C)[nH+]1 ZINC000091481386 345594048 /nfs/dbraw/zinc/59/40/48/345594048.db2.gz HZHLVGNSAFLGOR-GFCCVEGCSA-N 2 1 234.347 1.846 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000309328939 187308326 /nfs/dbraw/zinc/30/83/26/187308326.db2.gz HGYPIKBXHMEASL-FRRDWIJNSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000309328939 187308328 /nfs/dbraw/zinc/30/83/28/187308328.db2.gz HGYPIKBXHMEASL-FRRDWIJNSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)C[C@@H](C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309324246 187308371 /nfs/dbraw/zinc/30/83/71/187308371.db2.gz FYFWHBJWACJRSG-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)C[C@@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309324246 187308373 /nfs/dbraw/zinc/30/83/73/187308373.db2.gz FYFWHBJWACJRSG-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP Nc1cnccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000641707597 362618351 /nfs/dbraw/zinc/61/83/51/362618351.db2.gz JJBDCQRHIJEXFX-STQMWFEESA-N 2 1 246.358 1.380 20 0 BDADMP Nc1cnccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000641707597 362618356 /nfs/dbraw/zinc/61/83/56/362618356.db2.gz JJBDCQRHIJEXFX-STQMWFEESA-N 2 1 246.358 1.380 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCOCC1 ZINC000221038062 535002714 /nfs/dbraw/zinc/00/27/14/535002714.db2.gz WWVGIGXMUGCIPW-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP CC(C)[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309440210 187309308 /nfs/dbraw/zinc/30/93/08/187309308.db2.gz NWFYFJOWWDRVIW-AAEUAGOBSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309440210 187309309 /nfs/dbraw/zinc/30/93/09/187309309.db2.gz NWFYFJOWWDRVIW-AAEUAGOBSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309440210 187309310 /nfs/dbraw/zinc/30/93/10/187309310.db2.gz NWFYFJOWWDRVIW-AAEUAGOBSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309440210 187309311 /nfs/dbraw/zinc/30/93/11/187309311.db2.gz NWFYFJOWWDRVIW-AAEUAGOBSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000070558213 345775677 /nfs/dbraw/zinc/77/56/77/345775677.db2.gz WWIWXLMLSHFWQS-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000070558213 345775679 /nfs/dbraw/zinc/77/56/79/345775679.db2.gz WWIWXLMLSHFWQS-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363576743 345798427 /nfs/dbraw/zinc/79/84/27/345798427.db2.gz CPUYYNNVOGNHHE-SYQHCUMBSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363576743 345798429 /nfs/dbraw/zinc/79/84/29/345798429.db2.gz CPUYYNNVOGNHHE-SYQHCUMBSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363576743 345798431 /nfs/dbraw/zinc/79/84/31/345798431.db2.gz CPUYYNNVOGNHHE-SYQHCUMBSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363576741 345798459 /nfs/dbraw/zinc/79/84/59/345798459.db2.gz CPUYYNNVOGNHHE-AAVRWANBSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363576741 345798460 /nfs/dbraw/zinc/79/84/60/345798460.db2.gz CPUYYNNVOGNHHE-AAVRWANBSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363576741 345798462 /nfs/dbraw/zinc/79/84/62/345798462.db2.gz CPUYYNNVOGNHHE-AAVRWANBSA-N 2 1 238.375 1.173 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000094439560 187361100 /nfs/dbraw/zinc/36/11/00/187361100.db2.gz DQBYNFUWAIGCSJ-KGLIPLIRSA-N 2 1 237.391 1.156 20 0 BDADMP C[N@@H+]1CC=C(CNCc2cnc(C3CC3)o2)CC1 ZINC000628232008 346184794 /nfs/dbraw/zinc/18/47/94/346184794.db2.gz JLZMGWQWWOQNKN-UHFFFAOYSA-N 2 1 247.342 1.904 20 0 BDADMP C[N@H+]1CC=C(C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628232008 346184795 /nfs/dbraw/zinc/18/47/95/346184795.db2.gz JLZMGWQWWOQNKN-UHFFFAOYSA-N 2 1 247.342 1.904 20 0 BDADMP CC(C)(C)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000236617617 346261090 /nfs/dbraw/zinc/26/10/90/346261090.db2.gz DHUHYWJUGQZLQE-CYBMUJFWSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1ccncc1N ZINC000641737460 362663978 /nfs/dbraw/zinc/66/39/78/362663978.db2.gz VXBBVZUUFQGYAW-QMTHXVAHSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1ccncc1N ZINC000641737460 362663982 /nfs/dbraw/zinc/66/39/82/362663982.db2.gz VXBBVZUUFQGYAW-QMTHXVAHSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@H](C[NH2+]Cc1cccc(F)c1N)C[NH+](C)C ZINC000641756234 362681013 /nfs/dbraw/zinc/68/10/13/362681013.db2.gz GJQMJCZGHHRWLS-SNVBAGLBSA-N 2 1 239.338 1.695 20 0 BDADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000156052826 346359427 /nfs/dbraw/zinc/35/94/27/346359427.db2.gz WCDHLTYOIBGRKE-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP Cc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1C ZINC000313345294 179074446 /nfs/dbraw/zinc/07/44/46/179074446.db2.gz FJJOMIJDVIKWJB-OAHLLOKOSA-N 2 1 248.370 1.853 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000641798006 362738533 /nfs/dbraw/zinc/73/85/33/362738533.db2.gz GMIBDEGLJNSWGR-ZDUSSCGKSA-N 2 1 237.347 1.716 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000641798006 362738536 /nfs/dbraw/zinc/73/85/36/362738536.db2.gz GMIBDEGLJNSWGR-ZDUSSCGKSA-N 2 1 237.347 1.716 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1CCc1c[nH+]cn1C ZINC000641797207 362742692 /nfs/dbraw/zinc/74/26/92/362742692.db2.gz XWVQTRFLYPGPGK-AAEUAGOBSA-N 2 1 236.363 1.164 20 0 BDADMP Cn1cncc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641799299 362749180 /nfs/dbraw/zinc/74/91/80/362749180.db2.gz SVYZVQZPLCBUTA-ONXXMXGDSA-N 2 1 248.374 1.177 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801712 362756141 /nfs/dbraw/zinc/75/61/41/362756141.db2.gz FBNYFUNSDSZTMF-VXGBXAGGSA-N 2 1 237.347 1.761 20 0 BDADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccccc2)C[C@@H]1[NH3+] ZINC000641803186 362759434 /nfs/dbraw/zinc/75/94/34/362759434.db2.gz BBIGKLNUTCNKOP-NWDGAFQWSA-N 2 1 247.342 1.341 20 0 BDADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000641804304 362761000 /nfs/dbraw/zinc/76/10/00/362761000.db2.gz YAIIFWLYRXEFST-UTUOFQBUSA-N 2 1 225.380 1.092 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCc2n[nH]cc21 ZINC000375854277 346566319 /nfs/dbraw/zinc/56/63/19/346566319.db2.gz SVHHMTRIDNAMGE-YPMHNXCESA-N 2 1 248.374 1.861 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCCc2n[nH]cc21 ZINC000375854277 346566322 /nfs/dbraw/zinc/56/63/22/346566322.db2.gz SVHHMTRIDNAMGE-YPMHNXCESA-N 2 1 248.374 1.861 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000187707951 346601453 /nfs/dbraw/zinc/60/14/53/346601453.db2.gz ORFFOZQDTCDUIT-MGPQQGTHSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000187707951 346601457 /nfs/dbraw/zinc/60/14/57/346601457.db2.gz ORFFOZQDTCDUIT-MGPQQGTHSA-N 2 1 242.407 1.979 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCC(C)CC1 ZINC000310523156 323132940 /nfs/dbraw/zinc/13/29/40/323132940.db2.gz MLAQYASITRXYHL-RUXDESIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCC(C)CC1 ZINC000310523156 323132941 /nfs/dbraw/zinc/13/29/41/323132941.db2.gz MLAQYASITRXYHL-RUXDESIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247551795 323133628 /nfs/dbraw/zinc/13/36/28/323133628.db2.gz PZJICEQLUCNXIF-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@@H+]1C ZINC000378687111 346806694 /nfs/dbraw/zinc/80/66/94/346806694.db2.gz FSDPOVKUYFUQII-KXNHARMFSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@H+]1C ZINC000378687111 346806696 /nfs/dbraw/zinc/80/66/96/346806696.db2.gz FSDPOVKUYFUQII-KXNHARMFSA-N 2 1 214.328 1.949 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000601326798 347210237 /nfs/dbraw/zinc/21/02/37/347210237.db2.gz PVCQKLRRGXVBFS-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP CCSCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327647 347214333 /nfs/dbraw/zinc/21/43/33/347214333.db2.gz YEDCWDNMBRIGAL-NXEZZACHSA-N 2 1 202.367 1.266 20 0 BDADMP C[N@H+](C[C@@H]1CCCCO1)[C@H](C[NH3+])C1CC1 ZINC000250409889 362803859 /nfs/dbraw/zinc/80/38/59/362803859.db2.gz NOIWJAGNHPZIME-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)[C@H](C[NH3+])C1CC1 ZINC000250409889 362803863 /nfs/dbraw/zinc/80/38/63/362803863.db2.gz NOIWJAGNHPZIME-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC000250806200 362822515 /nfs/dbraw/zinc/82/25/15/362822515.db2.gz CODWDSUDFZCFFS-QWHCGFSZSA-N 2 1 226.364 1.759 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000590656982 347486347 /nfs/dbraw/zinc/48/63/47/347486347.db2.gz ALZVTXWLJXFYEK-NEPJUHHUSA-N 2 1 240.347 1.012 20 0 BDADMP Cc1ccccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000039068446 179275243 /nfs/dbraw/zinc/27/52/43/179275243.db2.gz FLLVXFMTORQHFJ-ZDUSSCGKSA-N 2 1 204.317 1.918 20 0 BDADMP Cc1ccccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000039068446 179275244 /nfs/dbraw/zinc/27/52/44/179275244.db2.gz FLLVXFMTORQHFJ-ZDUSSCGKSA-N 2 1 204.317 1.918 20 0 BDADMP CC(C)OC(=O)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C(C)C ZINC000594583535 348076866 /nfs/dbraw/zinc/07/68/66/348076866.db2.gz UMJAXXLWHBIQFL-NWDGAFQWSA-N 2 1 242.363 1.304 20 0 BDADMP C[N@@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000594709601 348104146 /nfs/dbraw/zinc/10/41/46/348104146.db2.gz NBGWZAHWOAGJAO-SNVBAGLBSA-N 2 1 245.330 1.134 20 0 BDADMP C[N@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000594709601 348104149 /nfs/dbraw/zinc/10/41/49/348104149.db2.gz NBGWZAHWOAGJAO-SNVBAGLBSA-N 2 1 245.330 1.134 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000397610206 362896168 /nfs/dbraw/zinc/89/61/68/362896168.db2.gz BTNNGNCRDUSMLR-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)O1 ZINC000251694541 362899397 /nfs/dbraw/zinc/89/93/97/362899397.db2.gz HJFQXFQBAMJLED-DDHJBXDOSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623489139 362914544 /nfs/dbraw/zinc/91/45/44/362914544.db2.gz RQLNNGXOVSBVNX-SDDRHHMPSA-N 2 1 228.380 1.608 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)CC1(C)C ZINC000623490287 362914560 /nfs/dbraw/zinc/91/45/60/362914560.db2.gz FARWJLQSHOGUDV-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CN(C[C@H]1CCOC1)C(C)(C)C[NH+]1CCCC1 ZINC000419371778 192129439 /nfs/dbraw/zinc/12/94/39/192129439.db2.gz JQUSZGKWFFHSSL-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623510184 362935474 /nfs/dbraw/zinc/93/54/74/362935474.db2.gz KUISMFKGRPGVLN-VXGBXAGGSA-N 2 1 228.380 1.610 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000250648927 538022529 /nfs/dbraw/zinc/02/25/29/538022529.db2.gz WEHLWPKLUSTSML-MELADBBJSA-N 2 1 237.391 1.012 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000054788290 349079579 /nfs/dbraw/zinc/07/95/79/349079579.db2.gz IESYMTNCJLEZGB-LLVKDONJSA-N 2 1 239.388 1.963 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000054788290 349079583 /nfs/dbraw/zinc/07/95/83/349079583.db2.gz IESYMTNCJLEZGB-LLVKDONJSA-N 2 1 239.388 1.963 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250638306 349177935 /nfs/dbraw/zinc/17/79/35/349177935.db2.gz GKOMTNLHHXOVDM-JHJVBQTASA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250638306 349177938 /nfs/dbraw/zinc/17/79/38/349177938.db2.gz GKOMTNLHHXOVDM-JHJVBQTASA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250638306 349177940 /nfs/dbraw/zinc/17/79/40/349177940.db2.gz GKOMTNLHHXOVDM-JHJVBQTASA-N 3 1 237.391 1.330 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000249103390 349155834 /nfs/dbraw/zinc/15/58/34/349155834.db2.gz VADRAAFRJVPMJX-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@H]1CCCO1 ZINC000251697419 349173367 /nfs/dbraw/zinc/17/33/67/349173367.db2.gz BCDMCJMCPHYNAA-IJLUTSLNSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]([NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000530224091 323218629 /nfs/dbraw/zinc/21/86/29/323218629.db2.gz KXXSHZQFDTYXCK-ZEPSMKPISA-N 2 1 226.364 1.528 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000252140382 349196888 /nfs/dbraw/zinc/19/68/88/349196888.db2.gz NDHWLXADEJOHJQ-MCIONIFRSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](Cc1cccs1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000070851771 490242160 /nfs/dbraw/zinc/24/21/60/490242160.db2.gz UWDBZORRRXSJSV-QWRGUYRKSA-N 2 1 242.388 1.191 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524995 362945274 /nfs/dbraw/zinc/94/52/74/362945274.db2.gz ROBSJLHKUVCADH-NWDGAFQWSA-N 2 1 227.396 1.399 20 0 BDADMP O=c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH]1 ZINC000392704400 349316320 /nfs/dbraw/zinc/31/63/20/349316320.db2.gz VLTXOHXHAKKUBI-QWHCGFSZSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c[nH]1 ZINC000392704395 349316425 /nfs/dbraw/zinc/31/64/25/349316425.db2.gz VLTXOHXHAKKUBI-OLZOCXBDSA-N 2 1 247.342 1.504 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccnn1C ZINC000219255210 350118496 /nfs/dbraw/zinc/11/84/96/350118496.db2.gz GGTXGYIHAYRLLK-LBPRGKRZSA-N 2 1 238.379 1.801 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccnn1C ZINC000219255210 350118497 /nfs/dbraw/zinc/11/84/97/350118497.db2.gz GGTXGYIHAYRLLK-LBPRGKRZSA-N 2 1 238.379 1.801 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnn1C ZINC000219255210 350118500 /nfs/dbraw/zinc/11/85/00/350118500.db2.gz GGTXGYIHAYRLLK-LBPRGKRZSA-N 2 1 238.379 1.801 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000132425884 191032120 /nfs/dbraw/zinc/03/21/20/191032120.db2.gz BREAZFHGKSCXPY-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC[C@H](C)O ZINC000305189323 180234205 /nfs/dbraw/zinc/23/42/05/180234205.db2.gz QUFAHXODNWUOGP-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC[C@H](C)O ZINC000305189323 180234206 /nfs/dbraw/zinc/23/42/06/180234206.db2.gz QUFAHXODNWUOGP-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](C)(O)C1 ZINC000124639264 180238700 /nfs/dbraw/zinc/23/87/00/180238700.db2.gz AFNDXKLRIFKONI-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](C)(O)C1 ZINC000124639264 180238702 /nfs/dbraw/zinc/23/87/02/180238702.db2.gz AFNDXKLRIFKONI-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)(C)CO ZINC000295135798 180248692 /nfs/dbraw/zinc/24/86/92/180248692.db2.gz BMYRRCLTIKARGE-UHFFFAOYSA-N 2 1 225.336 1.142 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC(C)(C)CO ZINC000295135798 180248693 /nfs/dbraw/zinc/24/86/93/180248693.db2.gz BMYRRCLTIKARGE-UHFFFAOYSA-N 2 1 225.336 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000362087267 180240741 /nfs/dbraw/zinc/24/07/41/180240741.db2.gz LZGAEAIMVDQZAT-YPMHNXCESA-N 2 1 237.347 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000362087267 180240743 /nfs/dbraw/zinc/24/07/43/180240743.db2.gz LZGAEAIMVDQZAT-YPMHNXCESA-N 2 1 237.347 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000371204734 180240846 /nfs/dbraw/zinc/24/08/46/180240846.db2.gz JKNGECKKSPIPMZ-CQSZACIVSA-N 2 1 249.358 1.694 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000371204734 180240850 /nfs/dbraw/zinc/24/08/50/180240850.db2.gz JKNGECKKSPIPMZ-CQSZACIVSA-N 2 1 249.358 1.694 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000336683856 180241200 /nfs/dbraw/zinc/24/12/00/180241200.db2.gz SZIPPNWORFQCEW-PWSUYJOCSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000336683856 180241201 /nfs/dbraw/zinc/24/12/01/180241201.db2.gz SZIPPNWORFQCEW-PWSUYJOCSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000376740399 180241980 /nfs/dbraw/zinc/24/19/80/180241980.db2.gz UNLYORAGRYNSCM-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000376740399 180241982 /nfs/dbraw/zinc/24/19/82/180241982.db2.gz UNLYORAGRYNSCM-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362087266 180242764 /nfs/dbraw/zinc/24/27/64/180242764.db2.gz LZGAEAIMVDQZAT-WCQYABFASA-N 2 1 237.347 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362087266 180242768 /nfs/dbraw/zinc/24/27/68/180242768.db2.gz LZGAEAIMVDQZAT-WCQYABFASA-N 2 1 237.347 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nccn1C ZINC000264032779 180244190 /nfs/dbraw/zinc/24/41/90/180244190.db2.gz IBYZQAKDJRQILL-UHFFFAOYSA-N 2 1 233.319 1.105 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOCC1 ZINC000338015488 180244511 /nfs/dbraw/zinc/24/45/11/180244511.db2.gz GUHYXAKKFNJYCV-CYBMUJFWSA-N 2 1 237.347 1.740 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)c1ccccc1 ZINC000049330089 180260934 /nfs/dbraw/zinc/26/09/34/180260934.db2.gz YPRUPZKWFMAYNM-CQSZACIVSA-N 2 1 245.326 1.515 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422772151 192461329 /nfs/dbraw/zinc/46/13/29/192461329.db2.gz YXDKWMFWXYVATC-UPJWGTAASA-N 2 1 242.407 1.904 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCSC1 ZINC000167305946 180266815 /nfs/dbraw/zinc/26/68/15/180266815.db2.gz RTXVNRPIQMCWMF-CMPLNLGQSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(C)c1 ZINC000237567289 180267353 /nfs/dbraw/zinc/26/73/53/180267353.db2.gz LFWIQJKEPQUKOS-LLVKDONJSA-N 2 1 247.346 1.351 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427849521 191094883 /nfs/dbraw/zinc/09/48/83/191094883.db2.gz NOGOZVUANUUUEZ-FRRDWIJNSA-N 2 1 248.374 1.128 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427849521 191094886 /nfs/dbraw/zinc/09/48/86/191094886.db2.gz NOGOZVUANUUUEZ-FRRDWIJNSA-N 2 1 248.374 1.128 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000070837085 180317995 /nfs/dbraw/zinc/31/79/95/180317995.db2.gz ZGGBOVXSOJOKKA-PSASIEDQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000070837085 180317997 /nfs/dbraw/zinc/31/79/97/180317997.db2.gz ZGGBOVXSOJOKKA-PSASIEDQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338843 180338290 /nfs/dbraw/zinc/33/82/90/180338290.db2.gz MSZZWIMLAKJBMV-RNCFNFMXSA-N 2 1 236.363 1.206 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338843 180338293 /nfs/dbraw/zinc/33/82/93/180338293.db2.gz MSZZWIMLAKJBMV-RNCFNFMXSA-N 2 1 236.363 1.206 20 0 BDADMP CCOC1CC([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000162781702 350427000 /nfs/dbraw/zinc/42/70/00/350427000.db2.gz FTLLJIRXNBNKTN-PNESKVBLSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)O ZINC000623540340 362958618 /nfs/dbraw/zinc/95/86/18/362958618.db2.gz VPZFCKKVMNPYCW-WOPDTQHZSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000300333672 490556762 /nfs/dbraw/zinc/55/67/62/490556762.db2.gz QNWZKBIBXOODHO-BJDJZHNGSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000300333672 490556765 /nfs/dbraw/zinc/55/67/65/490556765.db2.gz QNWZKBIBXOODHO-BJDJZHNGSA-N 2 1 228.405 1.953 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000083569376 180380654 /nfs/dbraw/zinc/38/06/54/180380654.db2.gz GCIIAYBWRDVOJQ-JTQLQIEISA-N 2 1 224.352 1.331 20 0 BDADMP C[N@@H+](CCC[NH3+])C1Cc2ccccc2C1 ZINC000227743140 350513258 /nfs/dbraw/zinc/51/32/58/350513258.db2.gz RMACWUGQGKZIIZ-UHFFFAOYSA-N 2 1 204.317 1.434 20 0 BDADMP CC(C)C[N@H+]1CCCN(CC[NH2+]C(C)C)CC1 ZINC000366183584 350719544 /nfs/dbraw/zinc/71/95/44/350719544.db2.gz NDHSSHZELXMVTR-UHFFFAOYSA-N 2 1 241.423 1.648 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000623559985 362983654 /nfs/dbraw/zinc/98/36/54/362983654.db2.gz RDPVXFXCGZWQPA-LPWJVIDDSA-N 2 1 238.375 1.769 20 0 BDADMP COCC(C)(C)C[NH2+]CCc1c[nH+]cn1C ZINC000623085759 350842400 /nfs/dbraw/zinc/84/24/00/350842400.db2.gz CTANLGCKHUGRNC-UHFFFAOYSA-N 2 1 225.336 1.225 20 0 BDADMP C/C=C\C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000623739106 350882263 /nfs/dbraw/zinc/88/22/63/350882263.db2.gz IOSKNGPYMAMFKX-PLNGDYQASA-N 2 1 205.305 1.813 20 0 BDADMP CC(C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336707313 351078052 /nfs/dbraw/zinc/07/80/52/351078052.db2.gz RSACDLOBWCUGMO-GFCCVEGCSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336707313 351078055 /nfs/dbraw/zinc/07/80/55/351078055.db2.gz RSACDLOBWCUGMO-GFCCVEGCSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336707313 351078058 /nfs/dbraw/zinc/07/80/58/351078058.db2.gz RSACDLOBWCUGMO-GFCCVEGCSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336707313 351078060 /nfs/dbraw/zinc/07/80/60/351078060.db2.gz RSACDLOBWCUGMO-GFCCVEGCSA-N 2 1 214.353 1.029 20 0 BDADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)sn1 ZINC000404494220 351481977 /nfs/dbraw/zinc/48/19/77/351481977.db2.gz ZTVXNDXMVXQEPJ-GHMZBOCLSA-N 2 1 237.372 1.860 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252727649 538101109 /nfs/dbraw/zinc/10/11/09/538101109.db2.gz LMAWHYNLKLPDIC-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252727649 538101110 /nfs/dbraw/zinc/10/11/10/538101110.db2.gz LMAWHYNLKLPDIC-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252727649 538101111 /nfs/dbraw/zinc/10/11/11/538101111.db2.gz LMAWHYNLKLPDIC-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCC[C@@H]2CCO2)CC1 ZINC000637887281 351754103 /nfs/dbraw/zinc/75/41/03/351754103.db2.gz RIUTZWWKODTHLA-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCC[C@@H]2CCO2)CC1 ZINC000637887281 351754107 /nfs/dbraw/zinc/75/41/07/351754107.db2.gz RIUTZWWKODTHLA-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1CN(C2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000307273619 351826967 /nfs/dbraw/zinc/82/69/67/351826967.db2.gz OMSLHDLMYOARAV-ZDUSSCGKSA-N 2 1 245.370 1.165 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000083825797 351954441 /nfs/dbraw/zinc/95/44/41/351954441.db2.gz ZAWQOQCTVQJLJI-PHIMTYICSA-N 2 1 237.372 1.411 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000083825797 351954443 /nfs/dbraw/zinc/95/44/43/351954443.db2.gz ZAWQOQCTVQJLJI-PHIMTYICSA-N 2 1 237.372 1.411 20 0 BDADMP CC[NH2+][C@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000638134398 352002981 /nfs/dbraw/zinc/00/29/81/352002981.db2.gz OWIVICQSWVNSCP-SECBINFHSA-N 2 1 236.319 1.084 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH2+]CC ZINC000638280206 352117736 /nfs/dbraw/zinc/11/77/36/352117736.db2.gz AKGBIQRHQHKFFU-NWDGAFQWSA-N 2 1 243.395 1.221 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638303874 352132484 /nfs/dbraw/zinc/13/24/84/352132484.db2.gz JNZJFKQMALCNJF-ZSBIGDGJSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H](CCC[NH3+])NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638252576 352096022 /nfs/dbraw/zinc/09/60/22/352096022.db2.gz UGPVWJFCGFILIT-NSHDSACASA-N 2 1 243.395 1.208 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C[C@@H]1CCO1 ZINC000638368427 352179588 /nfs/dbraw/zinc/17/95/88/352179588.db2.gz LDVUADXCULDTMF-MCIONIFRSA-N 2 1 238.375 1.772 20 0 BDADMP CO[C@@H](C[NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000638387147 352196664 /nfs/dbraw/zinc/19/66/64/352196664.db2.gz TWODJSCOBMQITD-ZDUSSCGKSA-N 2 1 237.347 1.596 20 0 BDADMP CC[NH+](CC)CCCN1CCC[N@@H+](C)CC1 ZINC000411158332 191163098 /nfs/dbraw/zinc/16/30/98/191163098.db2.gz SFNPRNJCVWRCHG-UHFFFAOYSA-N 2 1 227.396 1.356 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638409439 352218911 /nfs/dbraw/zinc/21/89/11/352218911.db2.gz MHDKIBGIAZPOLH-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP FC[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000218546987 363130845 /nfs/dbraw/zinc/13/08/45/363130845.db2.gz LDLNCQATVFWQEP-JTQLQIEISA-N 2 1 200.301 1.420 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414949088 352370672 /nfs/dbraw/zinc/37/06/72/352370672.db2.gz ZOJVTBVCZJKYNS-FVCCEPFGSA-N 3 1 225.380 1.105 20 0 BDADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)CC(C)C ZINC000638589385 352420777 /nfs/dbraw/zinc/42/07/77/352420777.db2.gz UBMAZGDFRJHSID-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCO2)CC[N@H+]1C ZINC000638706028 352544604 /nfs/dbraw/zinc/54/46/04/352544604.db2.gz DJZGMKBRCYNMNE-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503693 352599459 /nfs/dbraw/zinc/59/94/59/352599459.db2.gz SVPGHCZWYSZFBE-AAEUAGOBSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1C[C@@H](N2CC([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000307556032 352648005 /nfs/dbraw/zinc/64/80/05/352648005.db2.gz YQIAMNNJLARDCH-SWLSCSKDSA-N 2 1 245.370 1.292 20 0 BDADMP CC(C)C[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000042559826 352623737 /nfs/dbraw/zinc/62/37/37/352623737.db2.gz ATODSQBGJYMFMZ-UHFFFAOYSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1cnn2ccccc12 ZINC000334198564 352790741 /nfs/dbraw/zinc/79/07/41/352790741.db2.gz MQBNDPBQUZPEDQ-WCQYABFASA-N 2 1 244.342 1.374 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000356847770 187890650 /nfs/dbraw/zinc/89/06/50/187890650.db2.gz JTPNUYOBFHNYPH-IHRRRGAJSA-N 2 1 244.423 1.959 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(C)(C)O)C2)C1 ZINC000334269980 352906535 /nfs/dbraw/zinc/90/65/35/352906535.db2.gz RIVVWUBDFWHKCE-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1nocc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334349943 352981138 /nfs/dbraw/zinc/98/11/38/352981138.db2.gz FFVAJRKEXDRULV-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000334349943 352981143 /nfs/dbraw/zinc/98/11/43/352981143.db2.gz FFVAJRKEXDRULV-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334349943 352981149 /nfs/dbraw/zinc/98/11/49/352981149.db2.gz FFVAJRKEXDRULV-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334349943 352981152 /nfs/dbraw/zinc/98/11/52/352981152.db2.gz FFVAJRKEXDRULV-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412099230 191261091 /nfs/dbraw/zinc/26/10/91/191261091.db2.gz WIJXMYQTSWCGPQ-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC1(F)F ZINC000638839220 353016364 /nfs/dbraw/zinc/01/63/64/353016364.db2.gz ZVCRKKGQKHGXQB-GXSJLCMTSA-N 2 1 230.302 1.882 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000638838381 353023359 /nfs/dbraw/zinc/02/33/59/353023359.db2.gz HTOYHAMCTIJRHQ-GFCCVEGCSA-N 2 1 246.358 1.259 20 0 BDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCOC1 ZINC000336704725 188011275 /nfs/dbraw/zinc/01/12/75/188011275.db2.gz NNYGKVNGOCOASV-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CCCOC1 ZINC000336704725 188011276 /nfs/dbraw/zinc/01/12/76/188011276.db2.gz NNYGKVNGOCOASV-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCOC1 ZINC000336704725 188011278 /nfs/dbraw/zinc/01/12/78/188011278.db2.gz NNYGKVNGOCOASV-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCC)C2)cn1 ZINC000194255763 188005166 /nfs/dbraw/zinc/00/51/66/188005166.db2.gz QALNLAHVYYRMEG-CYBMUJFWSA-N 2 1 248.374 1.805 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@H+](CCC)C2)cn1 ZINC000194255763 188005168 /nfs/dbraw/zinc/00/51/68/188005168.db2.gz QALNLAHVYYRMEG-CYBMUJFWSA-N 2 1 248.374 1.805 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000251661549 188047612 /nfs/dbraw/zinc/04/76/12/188047612.db2.gz GWVWTAYJWVNJNN-IUODEOHRSA-N 2 1 248.370 1.907 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000336266207 188054165 /nfs/dbraw/zinc/05/41/65/188054165.db2.gz ICVFAHLXLMMSMJ-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000336266207 188054167 /nfs/dbraw/zinc/05/41/67/188054167.db2.gz ICVFAHLXLMMSMJ-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000336409232 188056427 /nfs/dbraw/zinc/05/64/27/188056427.db2.gz NZTXOAFWMHHFQI-ZDUSSCGKSA-N 2 1 224.348 1.097 20 0 BDADMP CC[C@@H]([NH2+]CCc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000422824008 192481646 /nfs/dbraw/zinc/48/16/46/192481646.db2.gz FWCNRJFGPMKOCZ-KGLIPLIRSA-N 2 1 233.359 1.744 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000250224437 353269419 /nfs/dbraw/zinc/26/94/19/353269419.db2.gz FFHSXKIHQBZPJP-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000250224437 353269422 /nfs/dbraw/zinc/26/94/22/353269422.db2.gz FFHSXKIHQBZPJP-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000343273518 353302152 /nfs/dbraw/zinc/30/21/52/353302152.db2.gz YEDFAKQPIGBWDK-MBNYWOFBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343273518 353302155 /nfs/dbraw/zinc/30/21/55/353302155.db2.gz YEDFAKQPIGBWDK-MBNYWOFBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000343273518 353302158 /nfs/dbraw/zinc/30/21/58/353302158.db2.gz YEDFAKQPIGBWDK-MBNYWOFBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343273518 353302161 /nfs/dbraw/zinc/30/21/61/353302161.db2.gz YEDFAKQPIGBWDK-MBNYWOFBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000343273518 353302164 /nfs/dbraw/zinc/30/21/64/353302164.db2.gz YEDFAKQPIGBWDK-MBNYWOFBSA-N 2 1 237.391 1.010 20 0 BDADMP Cc1ccncc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000135501384 538115284 /nfs/dbraw/zinc/11/52/84/538115284.db2.gz PVUIGJPIPRAIQI-CHWSQXEVSA-N 2 1 217.316 1.041 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000398948539 353368782 /nfs/dbraw/zinc/36/87/82/353368782.db2.gz CLBZDZPYNVGOIS-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000398948540 353369075 /nfs/dbraw/zinc/36/90/75/353369075.db2.gz CLBZDZPYNVGOIS-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP OCC[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000398957182 353376190 /nfs/dbraw/zinc/37/61/90/353376190.db2.gz JBMSDSVQOBIGEU-UHFFFAOYSA-N 2 1 240.391 1.756 20 0 BDADMP Oc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000085281997 538116063 /nfs/dbraw/zinc/11/60/63/538116063.db2.gz MHHDULVKPZNWNW-RYUDHWBXSA-N 2 1 218.300 1.043 20 0 BDADMP Cc1cn[nH]c1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000334509194 353407243 /nfs/dbraw/zinc/40/72/43/353407243.db2.gz STDVOYRFPJTVGD-GXTWGEPZSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cn[nH]c1CN1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000334509194 353407249 /nfs/dbraw/zinc/40/72/49/353407249.db2.gz STDVOYRFPJTVGD-GXTWGEPZSA-N 2 1 248.374 1.634 20 0 BDADMP CC(C)COCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000232635034 353746827 /nfs/dbraw/zinc/74/68/27/353746827.db2.gz CAIGUPJBTJEQPL-PBWFPOADSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000343459320 353896135 /nfs/dbraw/zinc/89/61/35/353896135.db2.gz TUYJMLDVTTZBMY-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C)C2)C1 ZINC000343459320 353896136 /nfs/dbraw/zinc/89/61/36/353896136.db2.gz TUYJMLDVTTZBMY-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C)C2)C1 ZINC000343459320 353896138 /nfs/dbraw/zinc/89/61/38/353896138.db2.gz TUYJMLDVTTZBMY-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccccc21 ZINC000343515055 353925493 /nfs/dbraw/zinc/92/54/93/353925493.db2.gz SXICLDPRJAEKNB-JMSVASOKSA-N 2 1 248.370 1.747 20 0 BDADMP Cc1cncc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000343729517 353960195 /nfs/dbraw/zinc/96/01/95/353960195.db2.gz PPQOCBIHBZCZMC-GXTWGEPZSA-N 2 1 249.358 1.107 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343915929 354040234 /nfs/dbraw/zinc/04/02/34/354040234.db2.gz GALPHUXYVTXSRE-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)C(C)(C)C)CC1 ZINC000343915930 354040541 /nfs/dbraw/zinc/04/05/41/354040541.db2.gz GALPHUXYVTXSRE-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH+](CC)C[C@H]1C)C1CC1 ZINC000343916040 354040661 /nfs/dbraw/zinc/04/06/61/354040661.db2.gz PIOGHSZVLSSONU-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@H+](CC)C[C@H]1C)C1CC1 ZINC000343916040 354040662 /nfs/dbraw/zinc/04/06/62/354040662.db2.gz PIOGHSZVLSSONU-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@@H+](CC)C[C@H]1C)C1CC1 ZINC000343916040 354040663 /nfs/dbraw/zinc/04/06/63/354040663.db2.gz PIOGHSZVLSSONU-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP COc1ccnc(CN2CC[N@@H+](C)C[C@H]2C)c1 ZINC000343794054 353998638 /nfs/dbraw/zinc/99/86/38/353998638.db2.gz ZLOGEEZKXBALPB-LLVKDONJSA-N 2 1 235.331 1.226 20 0 BDADMP COc1ccnc(CN2CCN(C)C[C@H]2C)c1 ZINC000343794054 353998640 /nfs/dbraw/zinc/99/86/40/353998640.db2.gz ZLOGEEZKXBALPB-LLVKDONJSA-N 2 1 235.331 1.226 20 0 BDADMP CC[C@H](C)[C@@H](C[N@@H+](C)CCC[NH+](C)C)OC ZINC000639168408 354073656 /nfs/dbraw/zinc/07/36/56/354073656.db2.gz STJMKBLOYIRODA-QWHCGFSZSA-N 2 1 230.396 1.931 20 0 BDADMP CC[C@@H](C)[C@H](C[N@@H+](C)CCC[NH+](C)C)OC ZINC000639168407 354073701 /nfs/dbraw/zinc/07/37/01/354073701.db2.gz STJMKBLOYIRODA-OLZOCXBDSA-N 2 1 230.396 1.931 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000343938801 354048585 /nfs/dbraw/zinc/04/85/85/354048585.db2.gz QTOVJKWGSXPZLU-HSBZDZAISA-N 2 1 242.407 2.000 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000343938801 354048586 /nfs/dbraw/zinc/04/85/86/354048586.db2.gz QTOVJKWGSXPZLU-HSBZDZAISA-N 2 1 242.407 2.000 20 0 BDADMP C[C@@H](F)CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028051 354089564 /nfs/dbraw/zinc/08/95/64/354089564.db2.gz LZRPDHGUCSKNDJ-CYBMUJFWSA-N 2 1 247.402 1.550 20 0 BDADMP CCN1C[C@@H](C)[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000344304469 354215587 /nfs/dbraw/zinc/21/55/87/354215587.db2.gz UKIMGRNKFYCXTD-OCCSQVGLSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@@H]1[N@@H+](CCC[NH3+])CCC12CCOCC2 ZINC000334837165 491062504 /nfs/dbraw/zinc/06/25/04/491062504.db2.gz JWFNMOXYDFEVIL-NSHDSACASA-N 2 1 212.337 1.226 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000334738525 354541215 /nfs/dbraw/zinc/54/12/15/354541215.db2.gz NGMQZYMKLASEGY-ZFWWWQNUSA-N 2 1 245.370 1.916 20 0 BDADMP CN(C)c1ncc(C[N@H+]2CCC23CCC3)n1C ZINC000335082157 354614900 /nfs/dbraw/zinc/61/49/00/354614900.db2.gz DABNEZFHVPTWEF-UHFFFAOYSA-N 2 1 234.347 1.615 20 0 BDADMP CN(C)c1ncc(CN2CCC23CCC3)n1C ZINC000335082157 354614904 /nfs/dbraw/zinc/61/49/04/354614904.db2.gz DABNEZFHVPTWEF-UHFFFAOYSA-N 2 1 234.347 1.615 20 0 BDADMP CCOCC[N@H+](CC)CCCc1c[nH+]cn1C ZINC000578080140 366228015 /nfs/dbraw/zinc/22/80/15/366228015.db2.gz NYCXHQIYECRZHO-UHFFFAOYSA-N 2 1 239.363 1.711 20 0 BDADMP CCOCC[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000578080140 366228018 /nfs/dbraw/zinc/22/80/18/366228018.db2.gz NYCXHQIYECRZHO-UHFFFAOYSA-N 2 1 239.363 1.711 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000232673931 363377855 /nfs/dbraw/zinc/37/78/55/363377855.db2.gz DQZMEJYTCNNYNW-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232702153 363380239 /nfs/dbraw/zinc/38/02/39/363380239.db2.gz RZCAMRWRKDHEBW-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP Cc1c[nH+]ccc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000335165933 354922827 /nfs/dbraw/zinc/92/28/27/354922827.db2.gz KNPKHUGQMYYIRB-RYUDHWBXSA-N 2 1 231.343 1.849 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000335168618 354929909 /nfs/dbraw/zinc/92/99/09/354929909.db2.gz GJKQMTONEQTWQA-GXTWGEPZSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000335168618 354929911 /nfs/dbraw/zinc/92/99/11/354929911.db2.gz GJKQMTONEQTWQA-GXTWGEPZSA-N 2 1 238.375 1.365 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000346498670 354960539 /nfs/dbraw/zinc/96/05/39/354960539.db2.gz SPJOAMAZINMQLE-STQMWFEESA-N 2 1 244.379 1.112 20 0 BDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCF)[C@H](C)C1 ZINC000346557824 354967754 /nfs/dbraw/zinc/96/77/54/354967754.db2.gz ITCLIZNYFYLSBD-OLZOCXBDSA-N 2 1 246.370 1.683 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCF)[C@H](C)C1 ZINC000346557824 354967756 /nfs/dbraw/zinc/96/77/56/354967756.db2.gz ITCLIZNYFYLSBD-OLZOCXBDSA-N 2 1 246.370 1.683 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000346627929 354997479 /nfs/dbraw/zinc/99/74/79/354997479.db2.gz ADCLFHRVMWJSOJ-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000346627929 354997481 /nfs/dbraw/zinc/99/74/81/354997481.db2.gz ADCLFHRVMWJSOJ-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2C[NH2+]C)CCO1 ZINC000346678601 355010168 /nfs/dbraw/zinc/01/01/68/355010168.db2.gz MEEKTWBJDDQKBM-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346638249 355015540 /nfs/dbraw/zinc/01/55/40/355015540.db2.gz JGFPNFVXVCFSRK-UWVGGRQHSA-N 2 1 240.372 1.926 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCSC3)C2)C1 ZINC000335228627 355070778 /nfs/dbraw/zinc/07/07/78/355070778.db2.gz NVTQVRYIHWWMKJ-CHWSQXEVSA-N 2 1 240.416 1.767 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCSC3)C2)C1 ZINC000335228627 355070780 /nfs/dbraw/zinc/07/07/80/355070780.db2.gz NVTQVRYIHWWMKJ-CHWSQXEVSA-N 2 1 240.416 1.767 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCSC3)C2)C1 ZINC000335228627 355070781 /nfs/dbraw/zinc/07/07/81/355070781.db2.gz NVTQVRYIHWWMKJ-CHWSQXEVSA-N 2 1 240.416 1.767 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc[nH]n3)C2)CC1 ZINC000366955550 355103432 /nfs/dbraw/zinc/10/34/32/355103432.db2.gz RIPMKCWDPPVBFX-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000346881656 355143673 /nfs/dbraw/zinc/14/36/73/355143673.db2.gz OGTXWCAGLCZEGA-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346988470 355189365 /nfs/dbraw/zinc/18/93/65/355189365.db2.gz RGKCPIQJFVCVKO-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346996100 355194422 /nfs/dbraw/zinc/19/44/22/355194422.db2.gz WJDWGJLQAHVVMS-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2C[NH3+])CCO1 ZINC000347011692 355204298 /nfs/dbraw/zinc/20/42/98/355204298.db2.gz GTXOPLKLOZLYPH-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2C[NH3+])CCO1 ZINC000347011692 355204299 /nfs/dbraw/zinc/20/42/99/355204299.db2.gz GTXOPLKLOZLYPH-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)[N@@H+](C)CCNc1cc(NC2CC2)ncn1 ZINC000413118058 191357022 /nfs/dbraw/zinc/35/70/22/191357022.db2.gz YTWLUPZBRQUEIQ-UHFFFAOYSA-N 2 1 249.362 1.803 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+]CCn1cc[nH+]c1C ZINC000583503063 355334898 /nfs/dbraw/zinc/33/48/98/355334898.db2.gz PHPAJVJICCJFHX-AAEUAGOBSA-N 2 1 239.363 1.578 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)C(C)C ZINC000414285297 191480609 /nfs/dbraw/zinc/48/06/09/191480609.db2.gz BDSWIEPRSNDXDI-CHWSQXEVSA-N 2 1 228.380 1.466 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000335774929 355399868 /nfs/dbraw/zinc/39/98/68/355399868.db2.gz YPDDULWIRHSRQU-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP COc1ccsc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335786259 355436222 /nfs/dbraw/zinc/43/62/22/355436222.db2.gz DOFBUFXMZHBXBF-ZJUUUORDSA-N 2 1 240.372 1.926 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335786259 355436224 /nfs/dbraw/zinc/43/62/24/355436224.db2.gz DOFBUFXMZHBXBF-ZJUUUORDSA-N 2 1 240.372 1.926 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414831551 191591191 /nfs/dbraw/zinc/59/11/91/191591191.db2.gz CLULFWRCDSJLAF-GHMZBOCLSA-N 2 1 202.342 1.374 20 0 BDADMP CO[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639347747 355794505 /nfs/dbraw/zinc/79/45/05/355794505.db2.gz PIIUZNXOGJVXAO-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639347746 355794537 /nfs/dbraw/zinc/79/45/37/355794537.db2.gz PIIUZNXOGJVXAO-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000216035473 355798972 /nfs/dbraw/zinc/79/89/72/355798972.db2.gz SQDDZDPJYZROHE-YPMHNXCESA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000224122109 491084260 /nfs/dbraw/zinc/08/42/60/491084260.db2.gz RAUPOLPJXUIJNN-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@H+]1C ZINC000224122109 491084263 /nfs/dbraw/zinc/08/42/63/491084263.db2.gz RAUPOLPJXUIJNN-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP CC[NH+]1CCC(NC[C@H]2CCC[N@H+]2C)CC1 ZINC000166885038 355862007 /nfs/dbraw/zinc/86/20/07/355862007.db2.gz BNBHNRJHVCKFOC-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP Cc1ccncc1C[N@@H+](C)[C@H]1CN2CCC1CC2 ZINC000639397669 356106637 /nfs/dbraw/zinc/10/66/37/356106637.db2.gz NKQQJVGHWZSHJM-HNNXBMFYSA-N 2 1 245.370 1.916 20 0 BDADMP Cc1ccncc1C[N@H+](C)[C@H]1CN2CCC1CC2 ZINC000639397669 356106641 /nfs/dbraw/zinc/10/66/41/356106641.db2.gz NKQQJVGHWZSHJM-HNNXBMFYSA-N 2 1 245.370 1.916 20 0 BDADMP C[N@@H+](CCCCF)CCCN1CC[NH+](C)CC1 ZINC000351732042 356072880 /nfs/dbraw/zinc/07/28/80/356072880.db2.gz ZEAVXUDDOYZWLE-UHFFFAOYSA-N 2 1 245.386 1.305 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639450768 356235569 /nfs/dbraw/zinc/23/55/69/356235569.db2.gz ZIAOGILSEPZTQH-ZDUSSCGKSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000420262121 192191828 /nfs/dbraw/zinc/19/18/28/192191828.db2.gz LXUMTDJVPNSVNB-MNOVXSKESA-N 2 1 249.362 1.036 20 0 BDADMP C[C@@H](C[NH3+])Nc1cc[nH+]c2ccsc21 ZINC000420248124 192186631 /nfs/dbraw/zinc/18/66/31/192186631.db2.gz PVUGTCUYKIAIHL-ZETCQYMHSA-N 2 1 207.302 1.477 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C)CC1 ZINC000379473567 358501339 /nfs/dbraw/zinc/50/13/39/358501339.db2.gz VJEBJPZEQIFPQF-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000379473567 358501344 /nfs/dbraw/zinc/50/13/44/358501344.db2.gz VJEBJPZEQIFPQF-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@H](C)CC1 ZINC000379473567 358501348 /nfs/dbraw/zinc/50/13/48/358501348.db2.gz VJEBJPZEQIFPQF-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000420299221 192204380 /nfs/dbraw/zinc/20/43/80/192204380.db2.gz IJVMVGRXEGHVIL-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP CCC[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000420296037 192205995 /nfs/dbraw/zinc/20/59/95/192205995.db2.gz CWLJCULNZVIVQN-AWEZNQCLSA-N 2 1 239.407 1.404 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420301362 192206498 /nfs/dbraw/zinc/20/64/98/192206498.db2.gz VPRPXPJPNVWZJN-QWHCGFSZSA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420301362 192206500 /nfs/dbraw/zinc/20/65/00/192206500.db2.gz VPRPXPJPNVWZJN-QWHCGFSZSA-N 2 1 226.364 1.759 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000420286407 192201784 /nfs/dbraw/zinc/20/17/84/192201784.db2.gz GHYLKZYJGAMSPE-RYUDHWBXSA-N 2 1 212.337 1.273 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CC[C@H]1CCCO1)C1CC1 ZINC000420286405 192202219 /nfs/dbraw/zinc/20/22/19/192202219.db2.gz GHYLKZYJGAMSPE-NEPJUHHUSA-N 2 1 212.337 1.273 20 0 BDADMP C[C@](C[NH3+])([NH2+]CC[C@H]1CCCO1)C1CC1 ZINC000420286408 192202225 /nfs/dbraw/zinc/20/22/25/192202225.db2.gz GHYLKZYJGAMSPE-VXGBXAGGSA-N 2 1 212.337 1.273 20 0 BDADMP COc1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)cc1 ZINC000420292620 192203401 /nfs/dbraw/zinc/20/34/01/192203401.db2.gz PRNJFHLKMMHCNK-CQSZACIVSA-N 2 1 234.343 1.912 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000420317196 192213370 /nfs/dbraw/zinc/21/33/70/192213370.db2.gz MQIBHKWUPDXOKB-TZMCWYRMSA-N 2 1 237.391 1.155 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420333076 192213813 /nfs/dbraw/zinc/21/38/13/192213813.db2.gz JVUQPNBTCGXWAZ-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420333076 192213815 /nfs/dbraw/zinc/21/38/15/192213815.db2.gz JVUQPNBTCGXWAZ-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420333080 192215089 /nfs/dbraw/zinc/21/50/89/192215089.db2.gz JVUQPNBTCGXWAZ-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420333080 192215092 /nfs/dbraw/zinc/21/50/92/192215092.db2.gz JVUQPNBTCGXWAZ-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000420339709 192215859 /nfs/dbraw/zinc/21/58/59/192215859.db2.gz OVQAGXZEZBDVRJ-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000420339709 192215862 /nfs/dbraw/zinc/21/58/62/192215862.db2.gz OVQAGXZEZBDVRJ-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000639510229 356339776 /nfs/dbraw/zinc/33/97/76/356339776.db2.gz ZAINXVVUTKUQLV-XJFOESAGSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000639510229 356339780 /nfs/dbraw/zinc/33/97/80/356339780.db2.gz ZAINXVVUTKUQLV-XJFOESAGSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639510229 356339783 /nfs/dbraw/zinc/33/97/83/356339783.db2.gz ZAINXVVUTKUQLV-XJFOESAGSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639510229 356339787 /nfs/dbraw/zinc/33/97/87/356339787.db2.gz ZAINXVVUTKUQLV-XJFOESAGSA-N 2 1 240.391 1.826 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420352967 192218356 /nfs/dbraw/zinc/21/83/56/192218356.db2.gz BBTOOKVTCUODAA-LBPRGKRZSA-N 2 1 240.347 1.014 20 0 BDADMP Nc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccn1 ZINC000420357129 192218865 /nfs/dbraw/zinc/21/88/65/192218865.db2.gz DDQIDIVMUAHOKL-ZDUSSCGKSA-N 2 1 248.374 1.491 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000420305725 192208462 /nfs/dbraw/zinc/20/84/62/192208462.db2.gz ZEXNNTJCIXGLKW-GFCCVEGCSA-N 2 1 242.363 1.261 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420307001 192208885 /nfs/dbraw/zinc/20/88/85/192208885.db2.gz LOQWOKNKEHXERE-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP CC[C@@]1(C)CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000420304415 192209354 /nfs/dbraw/zinc/20/93/54/192209354.db2.gz OLKXPNORCJEGGY-AWEZNQCLSA-N 2 1 239.407 1.404 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420305424 192209711 /nfs/dbraw/zinc/20/97/11/192209711.db2.gz KFTGTZBKEJZQPU-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420305424 192209713 /nfs/dbraw/zinc/20/97/13/192209713.db2.gz KFTGTZBKEJZQPU-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccncc3)C[C@@H]12 ZINC000420315699 192212091 /nfs/dbraw/zinc/21/20/91/192212091.db2.gz XGDXWIFVEGIEGX-RBSFLKMASA-N 2 1 245.370 1.683 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000420314673 192212466 /nfs/dbraw/zinc/21/24/66/192212466.db2.gz WAVAWXIEZASFAC-AAVRWANBSA-N 3 1 237.391 1.045 20 0 BDADMP c1cc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)[nH]n1 ZINC000420327754 192229473 /nfs/dbraw/zinc/22/94/73/192229473.db2.gz ZAWIHTIRKQGJBO-GFCCVEGCSA-N 2 1 248.374 1.589 20 0 BDADMP CC(C)OCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420372529 192230734 /nfs/dbraw/zinc/23/07/34/192230734.db2.gz YCKDKWCPEJYDNI-JTQLQIEISA-N 2 1 202.342 1.374 20 0 BDADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420357691 192220241 /nfs/dbraw/zinc/22/02/41/192220241.db2.gz SLLCRVMFVPKMCD-STQMWFEESA-N 2 1 222.332 1.389 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420359973 192221430 /nfs/dbraw/zinc/22/14/30/192221430.db2.gz LITUJIATPWDDOS-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420359724 192222653 /nfs/dbraw/zinc/22/26/53/192222653.db2.gz KFJPBZLFUNJSNW-VXGBXAGGSA-N 3 1 227.396 1.339 20 0 BDADMP Cc1cccc([C@@H]2CCC[N@H+]2CCC[NH3+])n1 ZINC000580408878 358502318 /nfs/dbraw/zinc/50/23/18/358502318.db2.gz DNPVEUSEDOQGRC-ZDUSSCGKSA-N 2 1 219.332 1.876 20 0 BDADMP CC(C)[N@@H+](CCN1CC[NH2+]CC1)CC1CCC1 ZINC000420363715 192223985 /nfs/dbraw/zinc/22/39/85/192223985.db2.gz CCGHKIDSMKNBSC-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP [NH3+]C[C@H]([NH2+]CCCF)C1CCCCC1 ZINC000420365165 192224464 /nfs/dbraw/zinc/22/44/64/192224464.db2.gz KWDKLFHRIVEQGX-NSHDSACASA-N 2 1 202.317 1.843 20 0 BDADMP C[C@@H](C[N@@H+](C)CCOCC[NH3+])c1nccs1 ZINC000420365116 192224483 /nfs/dbraw/zinc/22/44/83/192224483.db2.gz RUPQLHCNIGTMNX-JTQLQIEISA-N 2 1 243.376 1.154 20 0 BDADMP C[N@H+](CCN)CCCOCCc1ccccc1 ZINC000420368531 192225074 /nfs/dbraw/zinc/22/50/74/192225074.db2.gz BBAQZKTVTKHHCA-UHFFFAOYSA-N 2 1 236.359 1.526 20 0 BDADMP COCCCCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420367527 192225152 /nfs/dbraw/zinc/22/51/52/192225152.db2.gz SSTGEPIHFHWSCK-NSHDSACASA-N 2 1 216.369 1.766 20 0 BDADMP C(C[N@H+]1CCOC[C@@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000420368362 192225188 /nfs/dbraw/zinc/22/51/88/192225188.db2.gz WQNQGCFSEBCILI-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP CCN1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000420366402 192225245 /nfs/dbraw/zinc/22/52/45/192225245.db2.gz ULPIZEQUXZINPV-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393809 192236014 /nfs/dbraw/zinc/23/60/14/192236014.db2.gz KACTVROZYLNKLE-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393809 192236016 /nfs/dbraw/zinc/23/60/16/192236016.db2.gz KACTVROZYLNKLE-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393811 192236567 /nfs/dbraw/zinc/23/65/67/192236567.db2.gz KACTVROZYLNKLE-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393811 192236569 /nfs/dbraw/zinc/23/65/69/192236569.db2.gz KACTVROZYLNKLE-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420396983 192237415 /nfs/dbraw/zinc/23/74/15/192237415.db2.gz FPLZBMVWRNTCCW-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC[NH3+] ZINC000420404954 192238200 /nfs/dbraw/zinc/23/82/00/192238200.db2.gz MMNUCOFQZSRLSS-QWRGUYRKSA-N 2 1 200.326 1.128 20 0 BDADMP C[N@H+](CCc1nccs1)CC[C@@H]1CC[NH2+]C1 ZINC000420375010 192231940 /nfs/dbraw/zinc/23/19/40/192231940.db2.gz OORXMTYIKYLVBC-NSHDSACASA-N 2 1 239.388 1.617 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)n1 ZINC000420376617 192232001 /nfs/dbraw/zinc/23/20/01/192232001.db2.gz QVBOSSFXYARSDZ-ZDUSSCGKSA-N 2 1 248.374 1.936 20 0 BDADMP COC(=O)CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380278 192232844 /nfs/dbraw/zinc/23/28/44/192232844.db2.gz RLTMSQAJSNKDNN-CYBMUJFWSA-N 2 1 240.347 1.015 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380278 192232846 /nfs/dbraw/zinc/23/28/46/192232846.db2.gz RLTMSQAJSNKDNN-CYBMUJFWSA-N 2 1 240.347 1.015 20 0 BDADMP CCOC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380204 192233934 /nfs/dbraw/zinc/23/39/34/192233934.db2.gz RJDYPZPADVCKNJ-ZDUSSCGKSA-N 2 1 240.347 1.015 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380204 192233936 /nfs/dbraw/zinc/23/39/36/192233936.db2.gz RJDYPZPADVCKNJ-ZDUSSCGKSA-N 2 1 240.347 1.015 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c(C)n1 ZINC000639551048 356434317 /nfs/dbraw/zinc/43/43/17/356434317.db2.gz GHQGJWIABMFKSS-AAEUAGOBSA-N 2 1 234.343 1.962 20 0 BDADMP CC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639580797 356501664 /nfs/dbraw/zinc/50/16/64/356501664.db2.gz SNHVENIIUPANOD-CHWSQXEVSA-N 2 1 238.375 1.818 20 0 BDADMP CC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639580797 356501667 /nfs/dbraw/zinc/50/16/67/356501667.db2.gz SNHVENIIUPANOD-CHWSQXEVSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000639621960 356540719 /nfs/dbraw/zinc/54/07/19/356540719.db2.gz CCKAZQXSOXCXNA-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000639621959 356541320 /nfs/dbraw/zinc/54/13/20/356541320.db2.gz CCKAZQXSOXCXNA-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000336197906 134127171 /nfs/dbraw/zinc/12/71/71/134127171.db2.gz RFNXHASTPNTHEE-QWHCGFSZSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000421033297 192309205 /nfs/dbraw/zinc/30/92/05/192309205.db2.gz XNICENHWWFUMPG-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000162760415 202057839 /nfs/dbraw/zinc/05/78/39/202057839.db2.gz RBZLZAAZDBDVEM-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756454 356660753 /nfs/dbraw/zinc/66/07/53/356660753.db2.gz VLDFWQOLIVXZIJ-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncc[nH]3)C2)CC1 ZINC000639757048 356663117 /nfs/dbraw/zinc/66/31/17/356663117.db2.gz CMMYYQIAGLIYKW-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758868 356669772 /nfs/dbraw/zinc/66/97/72/356669772.db2.gz XVKREQXVDNXXJX-GFCCVEGCSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2=CCCC2)C1 ZINC000639763523 356688998 /nfs/dbraw/zinc/68/89/98/356688998.db2.gz QWNPPVQEGPRARX-CQSZACIVSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2=CCCC2)C1 ZINC000639763523 356689000 /nfs/dbraw/zinc/68/90/00/356689000.db2.gz QWNPPVQEGPRARX-CQSZACIVSA-N 2 1 238.375 1.485 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000450466513 202176106 /nfs/dbraw/zinc/17/61/06/202176106.db2.gz JACQOPFKICKVFS-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000450466513 202176107 /nfs/dbraw/zinc/17/61/07/202176107.db2.gz JACQOPFKICKVFS-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000450466513 202176110 /nfs/dbraw/zinc/17/61/10/202176110.db2.gz JACQOPFKICKVFS-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000450466513 202176112 /nfs/dbraw/zinc/17/61/12/202176112.db2.gz JACQOPFKICKVFS-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000450466513 202176115 /nfs/dbraw/zinc/17/61/15/202176115.db2.gz JACQOPFKICKVFS-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000423159529 192598064 /nfs/dbraw/zinc/59/80/64/192598064.db2.gz FVAANBORBWGHCV-CYDGBPFRSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2cncn2c1 ZINC000423167687 192604108 /nfs/dbraw/zinc/60/41/08/192604108.db2.gz FNLGDWYABZEKRM-GFCCVEGCSA-N 2 1 246.358 1.941 20 0 BDADMP CCCC[C@@H](COC)[NH2+]CCn1cc[nH+]c1C ZINC000360948005 356913461 /nfs/dbraw/zinc/91/34/61/356913461.db2.gz PGWMMTNZFKQKDN-ZDUSSCGKSA-N 2 1 239.363 1.986 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623395328 357017788 /nfs/dbraw/zinc/01/77/88/357017788.db2.gz HIXLYINVLLIUHI-CYBMUJFWSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623395328 357017789 /nfs/dbraw/zinc/01/77/89/357017789.db2.gz HIXLYINVLLIUHI-CYBMUJFWSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623395328 357017793 /nfs/dbraw/zinc/01/77/93/357017793.db2.gz HIXLYINVLLIUHI-CYBMUJFWSA-N 2 1 241.423 1.789 20 0 BDADMP CCC1(CC)[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000423241279 192647579 /nfs/dbraw/zinc/64/75/79/192647579.db2.gz UWHYPBUVOVTGMF-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP CCSCC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000130047592 357164052 /nfs/dbraw/zinc/16/40/52/357164052.db2.gz SLELGMBKDDXUQA-QWRGUYRKSA-N 2 1 216.394 1.799 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000423253756 192653129 /nfs/dbraw/zinc/65/31/29/192653129.db2.gz ZRLPLRVQBCXGIR-OLZOCXBDSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H](NCC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423272311 192665428 /nfs/dbraw/zinc/66/54/28/192665428.db2.gz JUOMCJIJPVSXPK-YNEHKIRRSA-N 2 1 225.380 1.106 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000393755001 357296199 /nfs/dbraw/zinc/29/61/99/357296199.db2.gz HJWSUGLRYWSZNS-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000393755001 357296203 /nfs/dbraw/zinc/29/62/03/357296203.db2.gz HJWSUGLRYWSZNS-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000393755001 357296208 /nfs/dbraw/zinc/29/62/08/357296208.db2.gz HJWSUGLRYWSZNS-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000393755001 357296211 /nfs/dbraw/zinc/29/62/11/357296211.db2.gz HJWSUGLRYWSZNS-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)C1CCOCC1 ZINC000423297933 192686755 /nfs/dbraw/zinc/68/67/55/192686755.db2.gz MMBWBDICUMBGKL-YPMHNXCESA-N 2 1 228.380 1.909 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CCN1C ZINC000230941143 357582549 /nfs/dbraw/zinc/58/25/49/357582549.db2.gz AWLILJZXUBHZOP-ZWNOBZJWSA-N 2 1 237.322 1.793 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)CC1(C)C ZINC000623412433 357586010 /nfs/dbraw/zinc/58/60/10/357586010.db2.gz KTWUTSSLAFCEPR-GFCCVEGCSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000397898667 357792483 /nfs/dbraw/zinc/79/24/83/357792483.db2.gz RJPANCVZYBHXSD-ZYHUDNBSSA-N 2 1 239.388 1.694 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416038 357828607 /nfs/dbraw/zinc/82/86/07/357828607.db2.gz GTKLDSLCUREWKI-NEPJUHHUSA-N 2 1 228.380 1.610 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC000036321620 358020043 /nfs/dbraw/zinc/02/00/43/358020043.db2.gz ZZUKJNPCAMFKMM-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC1(C)C ZINC000623418331 358062028 /nfs/dbraw/zinc/06/20/28/358062028.db2.gz MCLOHXQQQAFCBY-YNEHKIRRSA-N 2 1 240.391 1.752 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000640017919 358080502 /nfs/dbraw/zinc/08/05/02/358080502.db2.gz MVAZJEQIYCKFID-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000217921567 134250831 /nfs/dbraw/zinc/25/08/31/134250831.db2.gz KHOTZERNNRBJNQ-GWCFXTLKSA-N 2 1 219.332 1.559 20 0 BDADMP CC[C@@]1(O)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000640036880 358136548 /nfs/dbraw/zinc/13/65/48/358136548.db2.gz YOOIRUZQSVECBD-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(O)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000640036880 358136552 /nfs/dbraw/zinc/13/65/52/358136552.db2.gz YOOIRUZQSVECBD-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(O)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000640036880 358136553 /nfs/dbraw/zinc/13/65/53/358136553.db2.gz YOOIRUZQSVECBD-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000222911611 358216353 /nfs/dbraw/zinc/21/63/53/358216353.db2.gz DDQXVMQNKOILGM-HZSPNIEDSA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000040622173 358244683 /nfs/dbraw/zinc/24/46/83/358244683.db2.gz KVYVSELBDLHUPZ-LBPRGKRZSA-N 2 1 236.363 1.240 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000040622173 358244685 /nfs/dbraw/zinc/24/46/85/358244685.db2.gz KVYVSELBDLHUPZ-LBPRGKRZSA-N 2 1 236.363 1.240 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)S1 ZINC000226682670 358342716 /nfs/dbraw/zinc/34/27/16/358342716.db2.gz UMEAXVMVDWXSRF-TUAOUCFPSA-N 2 1 228.405 1.812 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1[C@H]1CCCSC1 ZINC000252689642 366410694 /nfs/dbraw/zinc/41/06/94/366410694.db2.gz RTPXFDFDEAEDNS-ZJUUUORDSA-N 2 1 200.351 1.305 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1CCCSC1 ZINC000252689642 366410701 /nfs/dbraw/zinc/41/07/01/366410701.db2.gz RTPXFDFDEAEDNS-ZJUUUORDSA-N 2 1 200.351 1.305 20 0 BDADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000173744653 134275052 /nfs/dbraw/zinc/27/50/52/134275052.db2.gz FJIIBSPJPYOSFP-LBPRGKRZSA-N 2 1 242.363 1.212 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000173744653 134275053 /nfs/dbraw/zinc/27/50/53/134275053.db2.gz FJIIBSPJPYOSFP-LBPRGKRZSA-N 2 1 242.363 1.212 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000044659218 358392624 /nfs/dbraw/zinc/39/26/24/358392624.db2.gz MZWWXDVKJHYOQT-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000086189488 358444714 /nfs/dbraw/zinc/44/47/14/358444714.db2.gz AHTJBQPOLWHESW-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CN(CC[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@@H+]1C ZINC000086189488 358444718 /nfs/dbraw/zinc/44/47/18/358444718.db2.gz AHTJBQPOLWHESW-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CN(CC[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@H+]1C ZINC000086189488 358444722 /nfs/dbraw/zinc/44/47/22/358444722.db2.gz AHTJBQPOLWHESW-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CC(C)[N@H+](C)CC1CC[NH+](CC[C@@H](C)O)CC1 ZINC000578217415 366452192 /nfs/dbraw/zinc/45/21/92/366452192.db2.gz QCHZRFOQVGPDOC-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]1CC([NH2+]C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000129940512 358602303 /nfs/dbraw/zinc/60/23/03/358602303.db2.gz MPDPXEUTRJCAJI-QWRGUYRKSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCSC1 ZINC000300231327 358589751 /nfs/dbraw/zinc/58/97/51/358589751.db2.gz GQOMWEAJSGZPQZ-MXWKQRLJSA-N 2 1 214.378 1.551 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCCC[C@H]2C[NH3+])c1 ZINC000214125665 358759822 /nfs/dbraw/zinc/75/98/22/358759822.db2.gz UVKZOHGIJQDSKA-ZDUSSCGKSA-N 2 1 249.358 1.712 20 0 BDADMP C[C@]1(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000219863751 134292245 /nfs/dbraw/zinc/29/22/45/134292245.db2.gz SPGFMMYUAVNIKR-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]1(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000219863751 134292246 /nfs/dbraw/zinc/29/22/46/134292246.db2.gz SPGFMMYUAVNIKR-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000219866357 134292346 /nfs/dbraw/zinc/29/23/46/134292346.db2.gz FQHQKMIMLCIRPO-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000135029478 358816693 /nfs/dbraw/zinc/81/66/93/358816693.db2.gz UAQBUVWGFCOYBW-LEWSCRJBSA-N 2 1 234.343 1.882 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1(CO)CCCC1 ZINC000053069149 358806839 /nfs/dbraw/zinc/80/68/39/358806839.db2.gz ABNZVRZXEAESHP-UHFFFAOYSA-N 2 1 223.320 1.086 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000623430870 358890535 /nfs/dbraw/zinc/89/05/35/358890535.db2.gz JNXAVBGLWHZQGV-YNEHKIRRSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCOC1 ZINC000623430867 358890760 /nfs/dbraw/zinc/89/07/60/358890760.db2.gz JNXAVBGLWHZQGV-AVGNSLFASA-N 2 1 240.391 1.874 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000086403519 358967863 /nfs/dbraw/zinc/96/78/63/358967863.db2.gz POJINFDUBJXEJX-IUCAKERBSA-N 2 1 211.334 1.503 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnn1C ZINC000071333392 359076918 /nfs/dbraw/zinc/07/69/18/359076918.db2.gz JIBKVKSYHZOVLH-NQBHXWOUSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnn1C ZINC000071333392 359076921 /nfs/dbraw/zinc/07/69/21/359076921.db2.gz JIBKVKSYHZOVLH-NQBHXWOUSA-N 2 1 236.363 1.238 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247135741 359196883 /nfs/dbraw/zinc/19/68/83/359196883.db2.gz WTVCMKBDEWHXOA-LPWJVIDDSA-N 2 1 228.380 1.466 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000075639181 359186175 /nfs/dbraw/zinc/18/61/75/359186175.db2.gz XKTYKVFFFADOSH-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246786276 359164487 /nfs/dbraw/zinc/16/44/87/359164487.db2.gz MBTYGOTXDJKUMA-AAEUAGOBSA-N 2 1 208.349 1.955 20 0 BDADMP CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246786276 359164491 /nfs/dbraw/zinc/16/44/91/359164491.db2.gz MBTYGOTXDJKUMA-AAEUAGOBSA-N 2 1 208.349 1.955 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246858804 359171404 /nfs/dbraw/zinc/17/14/04/359171404.db2.gz CWSZBOKVOFBBDZ-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP COCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835808 359225155 /nfs/dbraw/zinc/22/51/55/359225155.db2.gz FRRUONDCSJGRAI-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835806 359225374 /nfs/dbraw/zinc/22/53/74/359225374.db2.gz FRRUONDCSJGRAI-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623451328 359345634 /nfs/dbraw/zinc/34/56/34/359345634.db2.gz SZSHGNXFUIHFAT-NWDGAFQWSA-N 2 1 228.380 1.610 20 0 BDADMP CCc1nc(NC[C@@H]2CC[N@H+](C)C2)cc(C)[nH+]1 ZINC000287980794 359537792 /nfs/dbraw/zinc/53/77/92/359537792.db2.gz RHPBYFDNWQKYOV-NSHDSACASA-N 2 1 234.347 1.711 20 0 BDADMP CCc1nc(NC[C@@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000287980794 359537794 /nfs/dbraw/zinc/53/77/94/359537794.db2.gz RHPBYFDNWQKYOV-NSHDSACASA-N 2 1 234.347 1.711 20 0 BDADMP C[C@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCCC[NH2+]1 ZINC000379588839 359556600 /nfs/dbraw/zinc/55/66/00/359556600.db2.gz PSTCQDIDSLXBEX-CMPLNLGQSA-N 2 1 222.336 1.072 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623470273 359770343 /nfs/dbraw/zinc/77/03/43/359770343.db2.gz HBARHLMYAWJOSD-CHWSQXEVSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000578379528 366545764 /nfs/dbraw/zinc/54/57/64/366545764.db2.gz BQGZRHKXZGDGKB-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CCC[NH+](CC)CC ZINC000451161796 202366920 /nfs/dbraw/zinc/36/69/20/202366920.db2.gz ZYXOYGCRAKQAOH-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP Cc1cc(F)ccc1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000087363200 359908537 /nfs/dbraw/zinc/90/85/37/359908537.db2.gz NCYDMRSTSUHWTN-ZDUSSCGKSA-N 2 1 222.307 1.628 20 0 BDADMP c1nc2c(n1CC[N@H+]1CCCOCC1)CCCC2 ZINC000451201000 202379455 /nfs/dbraw/zinc/37/94/55/202379455.db2.gz ZEYLKYWGRBRDMQ-UHFFFAOYSA-N 2 1 249.358 1.484 20 0 BDADMP CCc1cc(N2CCC[C@@H](CC[NH3+])C2)nc(C)[nH+]1 ZINC000088760658 359977593 /nfs/dbraw/zinc/97/75/93/359977593.db2.gz LBYDMMWDJLRJKM-LBPRGKRZSA-N 2 1 248.374 1.913 20 0 BDADMP CCc1cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000578872857 366663127 /nfs/dbraw/zinc/66/31/27/366663127.db2.gz CMJUFGDFYHVSNB-LLVKDONJSA-N 2 1 237.347 1.798 20 0 BDADMP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N(C)C ZINC000089147999 359994377 /nfs/dbraw/zinc/99/43/77/359994377.db2.gz OJQAHQHCXQZMPK-MCIONIFRSA-N 2 1 241.423 1.680 20 0 BDADMP CCOCCN(C)CC[C@@H]1CCC[N@H+]1C ZINC000093316823 360229444 /nfs/dbraw/zinc/22/94/44/360229444.db2.gz XPPDSSUCFZIYQI-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CCOCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000093316823 360229447 /nfs/dbraw/zinc/22/94/47/360229447.db2.gz XPPDSSUCFZIYQI-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CCOCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000093316823 360229449 /nfs/dbraw/zinc/22/94/49/360229449.db2.gz XPPDSSUCFZIYQI-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CCOCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000093316823 360229451 /nfs/dbraw/zinc/22/94/51/360229451.db2.gz XPPDSSUCFZIYQI-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CCOCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000093316823 360229454 /nfs/dbraw/zinc/22/94/54/360229454.db2.gz XPPDSSUCFZIYQI-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CN(C)c1nc(NCC2([NH+](C)C)CCC2)cc[nH+]1 ZINC000097934255 360383998 /nfs/dbraw/zinc/38/39/98/360383998.db2.gz ASOGMATZSKRPGN-UHFFFAOYSA-N 2 1 249.362 1.439 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309470661 491149264 /nfs/dbraw/zinc/14/92/64/491149264.db2.gz ANFZDJPECUVFKU-CHWSQXEVSA-N 2 1 219.332 1.741 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631198924 360760861 /nfs/dbraw/zinc/76/08/61/360760861.db2.gz MWFJXJAOOCQSCP-RDBSUJKOSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCCCO)[NH2+]CCc1c[nH+]cn1C ZINC000309564600 491151659 /nfs/dbraw/zinc/15/16/59/491151659.db2.gz LXXZTGLOZMTIRE-LLVKDONJSA-N 2 1 225.336 1.103 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000629387530 361038901 /nfs/dbraw/zinc/03/89/01/361038901.db2.gz FADUVFGJIRCESI-UZGDPCLZSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@H+]1C1CC1 ZINC000629411965 361060710 /nfs/dbraw/zinc/06/07/10/361060710.db2.gz JEIWQKPBBJEQSF-NDBYEHHHSA-N 2 1 237.391 1.342 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000629507459 361106146 /nfs/dbraw/zinc/10/61/46/361106146.db2.gz FNSFTQOWMMAWDW-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@@H](C[N@H+]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000629507459 361106149 /nfs/dbraw/zinc/10/61/49/361106149.db2.gz FNSFTQOWMMAWDW-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP Nc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000629520027 361120261 /nfs/dbraw/zinc/12/02/61/361120261.db2.gz SITUCHVSGSTIJY-UHTWSYAYSA-N 2 1 246.358 1.223 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000629516726 361115590 /nfs/dbraw/zinc/11/55/90/361115590.db2.gz OHXPUOZJFRUZRW-DMDPSCGWSA-N 2 1 226.364 1.471 20 0 BDADMP C[NH2+]CCOCC[NH2+][C@H](C)c1csc(C)n1 ZINC000629530962 361145746 /nfs/dbraw/zinc/14/57/46/361145746.db2.gz WCIGQANPIRCVKD-SECBINFHSA-N 2 1 243.376 1.338 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccs1 ZINC000629525175 361125518 /nfs/dbraw/zinc/12/55/18/361125518.db2.gz YLIYZLBBWGSLCW-SNVBAGLBSA-N 2 1 240.372 1.907 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCOC)C1 ZINC000158503727 361200113 /nfs/dbraw/zinc/20/01/13/361200113.db2.gz JXUMOQFWXQUDGE-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP C[NH2+]C1CC[NH+](CCOCC(C)C)CC1 ZINC000158915383 361215425 /nfs/dbraw/zinc/21/54/25/361215425.db2.gz KPQNQLBCCAJRLG-UHFFFAOYSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043567 370674494 /nfs/dbraw/zinc/67/44/94/370674494.db2.gz DNBQYYDUGWQJTN-OPRDCNLKSA-N 2 1 218.291 1.619 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000622045133 370678805 /nfs/dbraw/zinc/67/88/05/370678805.db2.gz BYFLYPRDCYCVOM-GXSJLCMTSA-N 2 1 222.336 1.198 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000429528677 201112091 /nfs/dbraw/zinc/11/20/91/201112091.db2.gz NFCIRHWZMNOEOZ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629536507 361398959 /nfs/dbraw/zinc/39/89/59/361398959.db2.gz GOJMAODWALUSOB-AVGNSLFASA-N 2 1 228.380 1.778 20 0 BDADMP COC1(C[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000579408093 366776953 /nfs/dbraw/zinc/77/69/53/366776953.db2.gz VIGASEAODBJGKK-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP COCC1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629535618 361410343 /nfs/dbraw/zinc/41/03/43/361410343.db2.gz CPZPNEXHMWENMU-ABXWRUBCSA-N 2 1 240.391 1.922 20 0 BDADMP CCO[C@@H](C[N@@H+](C)CCC[NH2+]C)C1CC1 ZINC000629540705 361415223 /nfs/dbraw/zinc/41/52/23/361415223.db2.gz SNBQDXBQJXBJLB-LBPRGKRZSA-N 2 1 214.353 1.343 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629534866 361408868 /nfs/dbraw/zinc/40/88/68/361408868.db2.gz BDQZPHTUYOJENX-SRVKXCTJSA-N 2 1 214.353 1.532 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546703 361429253 /nfs/dbraw/zinc/42/92/53/361429253.db2.gz XCDJOWQBNZAUIM-QNWHQSFQSA-N 2 1 240.391 1.920 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000629547801 361431391 /nfs/dbraw/zinc/43/13/91/361431391.db2.gz UTXCRTYFJALCDB-RYMFRWLXSA-N 2 1 237.391 1.199 20 0 BDADMP CC[C@H](C)C[N@@H+](C)CCOCC[NH2+]C ZINC000629569357 361461900 /nfs/dbraw/zinc/46/19/00/361461900.db2.gz PVQXONGKHFZIGD-NSHDSACASA-N 2 1 202.342 1.200 20 0 BDADMP CCc1cccc(OCC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430951061 201158935 /nfs/dbraw/zinc/15/89/35/201158935.db2.gz KEBGEIALEUHXPM-AWEZNQCLSA-N 2 1 248.370 1.908 20 0 BDADMP FCC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629580711 361469402 /nfs/dbraw/zinc/46/94/02/361469402.db2.gz FADQBMAXEHAUNY-STQMWFEESA-N 2 1 244.354 1.437 20 0 BDADMP FCC[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629580704 361469763 /nfs/dbraw/zinc/46/97/63/361469763.db2.gz FACFRZGVFOCJMN-NEPJUHHUSA-N 2 1 230.327 1.046 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1C1CC1 ZINC000629581135 361470680 /nfs/dbraw/zinc/47/06/80/361470680.db2.gz OFFVGAZDMDLERW-UHFFFAOYSA-N 2 1 248.370 1.971 20 0 BDADMP C/C=C/C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629602378 361492085 /nfs/dbraw/zinc/49/20/85/361492085.db2.gz CXBJLSKYZQTZBD-NHZBNJEXSA-N 2 1 248.370 1.645 20 0 BDADMP C/C=C/C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000629602378 361492088 /nfs/dbraw/zinc/49/20/88/361492088.db2.gz CXBJLSKYZQTZBD-NHZBNJEXSA-N 2 1 248.370 1.645 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629651819 361557575 /nfs/dbraw/zinc/55/75/75/361557575.db2.gz KSTXVHOUUANYMK-AAEUAGOBSA-N 2 1 224.348 1.392 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000629647019 361535576 /nfs/dbraw/zinc/53/55/76/361535576.db2.gz JHNJPXGLFFIOIC-PWSUYJOCSA-N 2 1 210.321 1.002 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000629655218 361560119 /nfs/dbraw/zinc/56/01/19/361560119.db2.gz UFNHXWLXMNVURE-HUUCEWRRSA-N 2 1 247.386 1.847 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccncc1 ZINC000629656112 361560920 /nfs/dbraw/zinc/56/09/20/361560920.db2.gz NFXVADLEEFERNU-OBJOEFQTSA-N 2 1 233.359 1.773 20 0 BDADMP C1=C(C[NH+]2CCC3(CC[NH2+]3)CC2)COCC1 ZINC000629647870 361539158 /nfs/dbraw/zinc/53/91/58/361539158.db2.gz CNWZVEIQFININO-UHFFFAOYSA-N 2 1 222.332 1.161 20 0 BDADMP Cc1cnccc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000629647869 361539772 /nfs/dbraw/zinc/53/97/72/361539772.db2.gz CLRJOWFUGDYPSK-CQSZACIVSA-N 2 1 233.359 1.997 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000629660472 361565508 /nfs/dbraw/zinc/56/55/08/361565508.db2.gz USDZIJYKAIWQLD-XQHKEYJVSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC000629660469 361566052 /nfs/dbraw/zinc/56/60/52/361566052.db2.gz USDZIJYKAIWQLD-LPWJVIDDSA-N 3 1 225.380 1.105 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000629652168 361549888 /nfs/dbraw/zinc/54/98/88/361549888.db2.gz XIPYMGUOWLAXEZ-GJZGRUSLSA-N 2 1 247.386 1.989 20 0 BDADMP C[C@H]1CCC[N@H+](CC2=CCCOC2)[C@H]1C[NH3+] ZINC000629652087 361550222 /nfs/dbraw/zinc/55/02/22/361550222.db2.gz VUJWULKDGHDBMQ-AAEUAGOBSA-N 2 1 224.348 1.392 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2=CCCOC2)[C@H]1C[NH3+] ZINC000629652087 361550226 /nfs/dbraw/zinc/55/02/26/361550226.db2.gz VUJWULKDGHDBMQ-AAEUAGOBSA-N 2 1 224.348 1.392 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@H]1[NH3+] ZINC000629652197 361550380 /nfs/dbraw/zinc/55/03/80/361550380.db2.gz XSIAAQMVYWYOBQ-QWHCGFSZSA-N 2 1 221.348 1.584 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000629652470 361551509 /nfs/dbraw/zinc/55/15/09/361551509.db2.gz BUVIFTIYQYGBGE-OKILXGFUSA-N 2 1 233.359 1.457 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCCC(F)(F)CC1 ZINC000629653010 361551915 /nfs/dbraw/zinc/55/19/15/361551915.db2.gz DRVKTKVMXITJPB-UHFFFAOYSA-N 2 1 206.280 1.845 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCCC(F)(F)CC1 ZINC000629653010 361551921 /nfs/dbraw/zinc/55/19/21/361551921.db2.gz DRVKTKVMXITJPB-UHFFFAOYSA-N 2 1 206.280 1.845 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629651423 361556225 /nfs/dbraw/zinc/55/62/25/361556225.db2.gz FXCAHQFNJNHWNY-DGCLKSJQSA-N 2 1 224.348 1.535 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629651423 361556229 /nfs/dbraw/zinc/55/62/29/361556229.db2.gz FXCAHQFNJNHWNY-DGCLKSJQSA-N 2 1 224.348 1.535 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]CC(C)(C)C ZINC000163790729 361577872 /nfs/dbraw/zinc/57/78/72/361577872.db2.gz VAQUITLNMAVUGK-UHFFFAOYSA-N 2 1 216.369 1.590 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cccc2c1NCC2 ZINC000629667213 361588852 /nfs/dbraw/zinc/58/88/52/361588852.db2.gz VUULAYQPKPBBCM-UHFFFAOYSA-N 2 1 249.358 1.062 20 0 BDADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000435389438 201265315 /nfs/dbraw/zinc/26/53/15/201265315.db2.gz MGEWHLCPLQNTJU-AWEZNQCLSA-N 2 1 236.359 1.525 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000435877769 201292819 /nfs/dbraw/zinc/29/28/19/201292819.db2.gz UXDHUSAJOQDFDB-ZDUSSCGKSA-N 2 1 226.364 1.489 20 0 BDADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC[NH2+]C)C1(C)C ZINC000435876917 201293838 /nfs/dbraw/zinc/29/38/38/201293838.db2.gz LOSVMFJMGOLOGQ-RYUDHWBXSA-N 2 1 228.380 1.731 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000435884601 201295127 /nfs/dbraw/zinc/29/51/27/201295127.db2.gz UWZZIUTYTVYDEP-UHFFFAOYSA-N 2 1 247.386 1.808 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)O)CC1 ZINC000083727290 491162806 /nfs/dbraw/zinc/16/28/06/491162806.db2.gz IOFVJJGAHYEWEZ-JTQLQIEISA-N 2 1 214.353 1.220 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000437589857 201359317 /nfs/dbraw/zinc/35/93/17/201359317.db2.gz LBNRVCKJASMIDI-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC[C@@H]1CCOC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000437589857 201359320 /nfs/dbraw/zinc/35/93/20/201359320.db2.gz LBNRVCKJASMIDI-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC[C@@H]1CCOC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000437589857 201359324 /nfs/dbraw/zinc/35/93/24/201359324.db2.gz LBNRVCKJASMIDI-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(N)=[NH2+] ZINC000630387436 364102179 /nfs/dbraw/zinc/10/21/79/364102179.db2.gz PFNHCASMYODGPN-DGCLKSJQSA-N 2 1 246.358 1.238 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H]2CCC[C@H]21 ZINC000631670582 364203528 /nfs/dbraw/zinc/20/35/28/364203528.db2.gz BSZCCDXLUBVNHK-XHJNMGKDSA-N 2 1 238.375 1.220 20 0 BDADMP CCc1cc(N[C@@H]2CC[NH2+][C@H]2C)nc(C)[nH+]1 ZINC000630544959 364240424 /nfs/dbraw/zinc/24/04/24/364240424.db2.gz KICBVUBTDPKTLX-GZMMTYOYSA-N 2 1 220.320 1.510 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000328533582 364868225 /nfs/dbraw/zinc/86/82/25/364868225.db2.gz ZCNUTKSFCHQFGP-NDBYEHHHSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563101 365087503 /nfs/dbraw/zinc/08/75/03/365087503.db2.gz QEHLIVZRRSZRBC-YRGRVCCFSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563101 365087511 /nfs/dbraw/zinc/08/75/11/365087511.db2.gz QEHLIVZRRSZRBC-YRGRVCCFSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443066964 193012277 /nfs/dbraw/zinc/01/22/77/193012277.db2.gz KMEAYPIKFMLVJT-OLZOCXBDSA-N 2 1 239.407 1.258 20 0 BDADMP COC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444589213 193051504 /nfs/dbraw/zinc/05/15/04/193051504.db2.gz AOZJLQLVALZDNP-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)CC[N@H+]1C ZINC000576203765 365520849 /nfs/dbraw/zinc/52/08/49/365520849.db2.gz QKTZEQDOXVQSFT-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000576209784 365523242 /nfs/dbraw/zinc/52/32/42/365523242.db2.gz SFOUHMGSZSODBV-LBPRGKRZSA-N 2 1 249.362 1.174 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000380321522 367178507 /nfs/dbraw/zinc/17/85/07/367178507.db2.gz KPTWKOUKPQMKMT-UPJWGTAASA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132211 367272123 /nfs/dbraw/zinc/27/21/23/367272123.db2.gz DGGZHVPVMOWURG-DOMZBBRYSA-N 3 1 247.386 1.575 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132211 367272125 /nfs/dbraw/zinc/27/21/25/367272125.db2.gz DGGZHVPVMOWURG-DOMZBBRYSA-N 2 1 247.386 1.575 20 0 BDADMP CC[C@H](CSC)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000380973985 367328631 /nfs/dbraw/zinc/32/86/31/367328631.db2.gz BBKGLIKOEHVKCQ-NEPJUHHUSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@H](CSC)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000380973985 367328635 /nfs/dbraw/zinc/32/86/35/367328635.db2.gz BBKGLIKOEHVKCQ-NEPJUHHUSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@H](CSC)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000380973985 367328640 /nfs/dbraw/zinc/32/86/40/367328640.db2.gz BBKGLIKOEHVKCQ-NEPJUHHUSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@H](CSC)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000380973985 367328641 /nfs/dbraw/zinc/32/86/41/367328641.db2.gz BBKGLIKOEHVKCQ-NEPJUHHUSA-N 2 1 248.436 1.372 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000581185123 367287157 /nfs/dbraw/zinc/28/71/57/367287157.db2.gz USUZIRSZLDISKV-ZYHUDNBSSA-N 2 1 235.331 1.769 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000581618012 367637810 /nfs/dbraw/zinc/63/78/10/367637810.db2.gz NCALMWHPFIDRAE-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP CCCCN(C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000581618012 367637815 /nfs/dbraw/zinc/63/78/15/367637815.db2.gz NCALMWHPFIDRAE-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383613674 367644556 /nfs/dbraw/zinc/64/45/56/367644556.db2.gz TVXPOSGGZDYREU-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383613674 367644562 /nfs/dbraw/zinc/64/45/62/367644562.db2.gz TVXPOSGGZDYREU-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000383613676 367645012 /nfs/dbraw/zinc/64/50/12/367645012.db2.gz TVXPOSGGZDYREU-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000383613676 367645020 /nfs/dbraw/zinc/64/50/20/367645020.db2.gz TVXPOSGGZDYREU-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](CC)C1CCCCC1 ZINC000383517583 367631946 /nfs/dbraw/zinc/63/19/46/367631946.db2.gz HSFQIPRQCKMHDS-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CCCCC1 ZINC000383517583 367631949 /nfs/dbraw/zinc/63/19/49/367631949.db2.gz HSFQIPRQCKMHDS-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CCCCC1 ZINC000383517583 367631954 /nfs/dbraw/zinc/63/19/54/367631954.db2.gz HSFQIPRQCKMHDS-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C1CCCCC1 ZINC000383517583 367631958 /nfs/dbraw/zinc/63/19/58/367631958.db2.gz HSFQIPRQCKMHDS-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C1CCCCC1 ZINC000383517583 367631962 /nfs/dbraw/zinc/63/19/62/367631962.db2.gz HSFQIPRQCKMHDS-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000383798360 367654273 /nfs/dbraw/zinc/65/42/73/367654273.db2.gz SIHVWUUUMVXDDM-AAEUAGOBSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000383798360 367654275 /nfs/dbraw/zinc/65/42/75/367654275.db2.gz SIHVWUUUMVXDDM-AAEUAGOBSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](CCC(=O)Nc1ccccc1)C1CC([NH3+])C1 ZINC000384865773 367746676 /nfs/dbraw/zinc/74/66/76/367746676.db2.gz FFZRYTVBRVQKFI-UHFFFAOYSA-N 2 1 247.342 1.437 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962695 367766142 /nfs/dbraw/zinc/76/61/42/367766142.db2.gz SIFVIQTYQHNOGB-SYQHCUMBSA-N 2 1 240.391 1.872 20 0 BDADMP COC[C@H](C)CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000385411766 367826082 /nfs/dbraw/zinc/82/60/82/367826082.db2.gz CLXOXNASYARMHU-VHDGCEQUSA-N 2 1 248.370 1.696 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSCC[C@H]1C ZINC000385409385 367826188 /nfs/dbraw/zinc/82/61/88/367826188.db2.gz SWXFYMYJPRANSO-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSCC[C@H]1C ZINC000385409385 367826191 /nfs/dbraw/zinc/82/61/91/367826191.db2.gz SWXFYMYJPRANSO-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCCC[NH2+]1 ZINC000386066354 367908667 /nfs/dbraw/zinc/90/86/67/367908667.db2.gz YMOWEYIYSVJPSJ-YPMHNXCESA-N 2 1 236.363 1.083 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C[NH2+]1 ZINC000399238934 367910653 /nfs/dbraw/zinc/91/06/53/367910653.db2.gz STVXVGRIHLCGJO-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386091180 367910965 /nfs/dbraw/zinc/91/09/65/367910965.db2.gz IEVBZJONANWBRZ-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385983824 367892600 /nfs/dbraw/zinc/89/26/00/367892600.db2.gz IFGYKDRFNMDHLQ-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386027235 367900132 /nfs/dbraw/zinc/90/01/32/367900132.db2.gz QAVVDMFQRATZKP-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCCN1 ZINC000386576025 367994848 /nfs/dbraw/zinc/99/48/48/367994848.db2.gz NFGZCINXFITQNT-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386584157 367997164 /nfs/dbraw/zinc/99/71/64/367997164.db2.gz PQXBOCBZUTXXTD-RYUDHWBXSA-N 2 1 228.380 1.658 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386451806 367975681 /nfs/dbraw/zinc/97/56/81/367975681.db2.gz OBZUTOYEMXCVDE-ZIAGYGMSSA-N 2 1 241.423 1.837 20 0 BDADMP CC[N@H+](CC(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000386979677 368041067 /nfs/dbraw/zinc/04/10/67/368041067.db2.gz ZHMAUBQBLJGFMI-VHSXEESVSA-N 2 1 220.307 1.962 20 0 BDADMP CC[N@@H+](CC(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000386979677 368041070 /nfs/dbraw/zinc/04/10/70/368041070.db2.gz ZHMAUBQBLJGFMI-VHSXEESVSA-N 2 1 220.307 1.962 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC000252878067 368165327 /nfs/dbraw/zinc/16/53/27/368165327.db2.gz WYZDQOHANGRXNG-AAVRWANBSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2nccs2)CC[NH2+]1 ZINC000387300633 368144663 /nfs/dbraw/zinc/14/46/63/368144663.db2.gz NIJPGSMRTAFDJL-GHMZBOCLSA-N 2 1 239.388 1.963 20 0 BDADMP C[C@H](C[N@@H+](C)CCOCC[NH3+])C(C)(C)C ZINC000399731356 368529620 /nfs/dbraw/zinc/52/96/20/368529620.db2.gz LZCUJKPBRMDLJY-LLVKDONJSA-N 2 1 216.369 1.576 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086404011 368880192 /nfs/dbraw/zinc/88/01/92/368880192.db2.gz FVRSWMCZNYKKQA-RYUDHWBXSA-N 2 1 213.369 1.186 20 0 BDADMP CC(C)N(C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404011 368880194 /nfs/dbraw/zinc/88/01/94/368880194.db2.gz FVRSWMCZNYKKQA-RYUDHWBXSA-N 2 1 213.369 1.186 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623808717 368954075 /nfs/dbraw/zinc/95/40/75/368954075.db2.gz ALDXNUPTUNRCHO-CYDGBPFRSA-N 2 1 224.348 1.380 20 0 BDADMP CCn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000091127555 369005714 /nfs/dbraw/zinc/00/57/14/369005714.db2.gz GWIWDLQYIPIOKR-CYBMUJFWSA-N 2 1 235.375 1.939 20 0 BDADMP Nc1cccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631835764 369048135 /nfs/dbraw/zinc/04/81/35/369048135.db2.gz XDYRQBCDVMBTTL-CQSZACIVSA-N 2 1 233.359 1.972 20 0 BDADMP Nc1cccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631835764 369048142 /nfs/dbraw/zinc/04/81/42/369048142.db2.gz XDYRQBCDVMBTTL-CQSZACIVSA-N 2 1 233.359 1.972 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000623655774 368990968 /nfs/dbraw/zinc/99/09/68/368990968.db2.gz FCVCHOGWKOABFT-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000623655863 368991013 /nfs/dbraw/zinc/99/10/13/368991013.db2.gz HTHXUFDHGVGVBO-CYBMUJFWSA-N 2 1 221.348 1.836 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1C[C@H]1C ZINC000401670113 369368746 /nfs/dbraw/zinc/36/87/46/369368746.db2.gz KUOIOOHNEFNFDB-CKYFFXLPSA-N 2 1 207.321 1.597 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000459634607 203325849 /nfs/dbraw/zinc/32/58/49/203325849.db2.gz OMXWUOIENIVPIP-BETUJISGSA-N 2 1 226.364 1.626 20 0 BDADMP Cc1ncc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459735039 203347635 /nfs/dbraw/zinc/34/76/35/203347635.db2.gz PJOZRMXAQZCXPP-CYBMUJFWSA-N 2 1 248.374 1.607 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459779857 203365669 /nfs/dbraw/zinc/36/56/69/203365669.db2.gz LPVDOCLZKRNAAV-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP COC1CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459795387 203373262 /nfs/dbraw/zinc/37/32/62/203373262.db2.gz VFATZFBTAQGHHJ-PNESKVBLSA-N 2 1 226.364 1.485 20 0 BDADMP CCOC1CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459791757 203371492 /nfs/dbraw/zinc/37/14/92/203371492.db2.gz RVXWTYINDBNFGW-HSBZDZAISA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@H]1CCOC1 ZINC000166219253 203387061 /nfs/dbraw/zinc/38/70/61/203387061.db2.gz UCDZBGWVSQTCPX-DRZSPHRISA-N 2 1 226.364 1.341 20 0 BDADMP CSCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250959324 369622952 /nfs/dbraw/zinc/62/29/52/369622952.db2.gz UDCNLRBJXQEVKE-QWRGUYRKSA-N 2 1 214.378 1.566 20 0 BDADMP Cc1ncccc1CNCc1cnc2n1CCC2 ZINC000623703521 369871108 /nfs/dbraw/zinc/87/11/08/369871108.db2.gz QACALIGBOUMYEJ-UHFFFAOYSA-N 2 1 242.326 1.823 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H](C)C1 ZINC000568165561 326317885 /nfs/dbraw/zinc/31/78/85/326317885.db2.gz QOJHBSWHKQPYDM-RDBSUJKOSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000568165561 326317887 /nfs/dbraw/zinc/31/78/87/326317887.db2.gz QOJHBSWHKQPYDM-RDBSUJKOSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000568165561 326317889 /nfs/dbraw/zinc/31/78/89/326317889.db2.gz QOJHBSWHKQPYDM-RDBSUJKOSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000253178938 370155716 /nfs/dbraw/zinc/15/57/16/370155716.db2.gz CLQLOTDHSXUUAG-WCQYABFASA-N 2 1 219.332 1.498 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000621774666 370521499 /nfs/dbraw/zinc/52/14/99/370521499.db2.gz ZWJULQJOVJFNLR-DGCLKSJQSA-N 2 1 236.363 1.115 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccn1 ZINC000621776716 370525408 /nfs/dbraw/zinc/52/54/08/370525408.db2.gz UCZSZYUNGOUVEX-GJZGRUSLSA-N 2 1 245.370 1.951 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccn1 ZINC000621776586 370525719 /nfs/dbraw/zinc/52/57/19/370525719.db2.gz PQFDCLPQCZJVGG-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CCCO1)C2 ZINC000621784122 370535271 /nfs/dbraw/zinc/53/52/71/370535271.db2.gz KHLZEESPXFLSRY-AGIUHOORSA-N 2 1 224.348 1.369 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC1(C)C ZINC000623777512 371089094 /nfs/dbraw/zinc/08/90/94/371089094.db2.gz IHLFSERNPKCFMJ-GFCCVEGCSA-N 2 1 249.358 1.750 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC1(C)C ZINC000623777512 371089099 /nfs/dbraw/zinc/08/90/99/371089099.db2.gz IHLFSERNPKCFMJ-GFCCVEGCSA-N 2 1 249.358 1.750 20 0 BDADMP C[C@H]1C[C@@H](NCc2ccc[nH]c2=O)C[N@@H+]1C1CC1 ZINC000623777948 371089404 /nfs/dbraw/zinc/08/94/04/371089404.db2.gz YGAMIDPUOIYWGR-CMPLNLGQSA-N 2 1 247.342 1.502 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC1(C)C ZINC000568763979 326376142 /nfs/dbraw/zinc/37/61/42/326376142.db2.gz LQFCWRNNBBUYHD-WDEREUQCSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC1(C)C ZINC000568763979 326376143 /nfs/dbraw/zinc/37/61/43/326376143.db2.gz LQFCWRNNBBUYHD-WDEREUQCSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000568763979 326376144 /nfs/dbraw/zinc/37/61/44/326376144.db2.gz LQFCWRNNBBUYHD-WDEREUQCSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000568763979 326376145 /nfs/dbraw/zinc/37/61/45/326376145.db2.gz LQFCWRNNBBUYHD-WDEREUQCSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890872 371095539 /nfs/dbraw/zinc/09/55/39/371095539.db2.gz UFEXHDAMKQVRMW-FQUUOJAGSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890872 371095544 /nfs/dbraw/zinc/09/55/44/371095544.db2.gz UFEXHDAMKQVRMW-FQUUOJAGSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000623822513 371110449 /nfs/dbraw/zinc/11/04/49/371110449.db2.gz MVZZKBNWGZJQJV-KLPPZKSPSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccn1 ZINC000391311143 371283426 /nfs/dbraw/zinc/28/34/26/371283426.db2.gz IYZRWHYCDPJVPR-MFKMUULPSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccn1 ZINC000391311143 371283431 /nfs/dbraw/zinc/28/34/31/371283431.db2.gz IYZRWHYCDPJVPR-MFKMUULPSA-N 2 1 219.332 1.559 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624121569 371322595 /nfs/dbraw/zinc/32/25/95/371322595.db2.gz YCDAOMTVHCDZAJ-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000624122411 371323087 /nfs/dbraw/zinc/32/30/87/371323087.db2.gz QQXBFASUGHHXRZ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000624124142 371325169 /nfs/dbraw/zinc/32/51/69/371325169.db2.gz YHYMGVRBLXJBCG-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](C[NH2+]Cc1cn[nH]c1)C[NH+]1CCCCC1 ZINC000624214730 371400783 /nfs/dbraw/zinc/40/07/83/371400783.db2.gz BOGKKJFHUFBBHJ-LBPRGKRZSA-N 2 1 236.363 1.621 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000624309735 371473419 /nfs/dbraw/zinc/47/34/19/371473419.db2.gz WBQHUEFPGDIOBM-ZDEQEGDKSA-N 2 1 226.364 1.484 20 0 BDADMP CCC[N@@H+](C[C@@H]1CCO[C@@H]1C)C1CC[NH2+]CC1 ZINC000631822845 372600995 /nfs/dbraw/zinc/60/09/95/372600995.db2.gz QANSYYXTBHQSML-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCO[C@@H]1C ZINC000631822221 372584268 /nfs/dbraw/zinc/58/42/68/372584268.db2.gz WVOQBYIPPWCDDK-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)OCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833281 372616233 /nfs/dbraw/zinc/61/62/33/372616233.db2.gz XFZNASFMJUTFRW-GFCCVEGCSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)OCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833281 372616240 /nfs/dbraw/zinc/61/62/40/372616240.db2.gz XFZNASFMJUTFRW-GFCCVEGCSA-N 2 1 214.353 1.615 20 0 BDADMP N[C@H]1CCCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000631834052 372619152 /nfs/dbraw/zinc/61/91/52/372619152.db2.gz NUDNSFAPILJSJK-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+][C@H]1CCCCCN(C[C@H]2CCOC2)C1 ZINC000631834052 372619159 /nfs/dbraw/zinc/61/91/59/372619159.db2.gz NUDNSFAPILJSJK-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838017 372632415 /nfs/dbraw/zinc/63/24/15/372632415.db2.gz YPUUUXODOLAQIK-GHMZBOCLSA-N 2 1 235.331 1.117 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838017 372632419 /nfs/dbraw/zinc/63/24/19/372632419.db2.gz YPUUUXODOLAQIK-GHMZBOCLSA-N 2 1 235.331 1.117 20 0 BDADMP FC(F)[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000631866182 372666740 /nfs/dbraw/zinc/66/67/40/372666740.db2.gz UWQPDUWVMNFGTL-WDEREUQCSA-N 2 1 248.317 1.342 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890096 372686268 /nfs/dbraw/zinc/68/62/68/372686268.db2.gz MCWNEHULHGQGNZ-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000070348216 374140130 /nfs/dbraw/zinc/14/01/30/374140130.db2.gz MCSWTNOUSODSRP-KGLIPLIRSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC)C[C@H]1C ZINC000336643132 170019002 /nfs/dbraw/zinc/01/90/02/170019002.db2.gz BPPLEZYZHOLHCR-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC)C[C@H]1C ZINC000336643132 170019004 /nfs/dbraw/zinc/01/90/04/170019004.db2.gz BPPLEZYZHOLHCR-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC)C[C@H]1C ZINC000336643132 170019006 /nfs/dbraw/zinc/01/90/06/170019006.db2.gz BPPLEZYZHOLHCR-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCCC[NH3+])C1 ZINC000437795881 206073729 /nfs/dbraw/zinc/07/37/29/206073729.db2.gz HHWPYKFTMNOIPF-HIFRSBDPSA-N 2 1 247.386 1.760 20 0 BDADMP CC(C)[N@@H+](CCc1cncn1C)[C@H]1CCOC1 ZINC000459500637 206132224 /nfs/dbraw/zinc/13/22/24/206132224.db2.gz NARMVWOOYOOLSE-ZDUSSCGKSA-N 2 1 237.347 1.462 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CC[C@@H]1CCOC1 ZINC000220647102 134311906 /nfs/dbraw/zinc/31/19/06/134311906.db2.gz ZHXNBOUWMJHTKK-GFCCVEGCSA-N 2 1 223.320 1.208 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000037619506 169005481 /nfs/dbraw/zinc/00/54/81/169005481.db2.gz BJYIZTVKWOAPNQ-LBPRGKRZSA-N 2 1 241.379 1.057 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC000336701862 169078733 /nfs/dbraw/zinc/07/87/33/169078733.db2.gz JYTVYSSVAOGTKD-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336701862 169078734 /nfs/dbraw/zinc/07/87/34/169078734.db2.gz JYTVYSSVAOGTKD-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336701862 169078735 /nfs/dbraw/zinc/07/87/35/169078735.db2.gz JYTVYSSVAOGTKD-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000300360311 169123554 /nfs/dbraw/zinc/12/35/54/169123554.db2.gz WVUABACHWGUDGS-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000300360311 169123555 /nfs/dbraw/zinc/12/35/55/169123555.db2.gz WVUABACHWGUDGS-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H](C)CCC[NH3+] ZINC000308893494 169123825 /nfs/dbraw/zinc/12/38/25/169123825.db2.gz YRVXUDCPJYNOSZ-GFCCVEGCSA-N 3 1 215.385 1.435 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CCC[NH3+] ZINC000308893494 169123827 /nfs/dbraw/zinc/12/38/27/169123827.db2.gz YRVXUDCPJYNOSZ-GFCCVEGCSA-N 3 1 215.385 1.435 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000353073198 169128537 /nfs/dbraw/zinc/12/85/37/169128537.db2.gz ORMHYOQULKTYON-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000353073198 169128538 /nfs/dbraw/zinc/12/85/38/169128538.db2.gz ORMHYOQULKTYON-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000353073198 169128541 /nfs/dbraw/zinc/12/85/41/169128541.db2.gz ORMHYOQULKTYON-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@H]3CCCO3)C2)n1 ZINC000335445901 183327181 /nfs/dbraw/zinc/32/71/81/183327181.db2.gz LPOBNDLOEUPPFN-VXGBXAGGSA-N 2 1 235.331 1.768 20 0 BDADMP CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374429011 169205727 /nfs/dbraw/zinc/20/57/27/169205727.db2.gz NNFCPVMWZSBNDK-RWMBFGLXSA-N 2 1 226.364 1.580 20 0 BDADMP CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256496 169210490 /nfs/dbraw/zinc/21/04/90/169210490.db2.gz LGGQIRCURAUPAC-FRRDWIJNSA-N 2 1 208.349 1.813 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256496 169210491 /nfs/dbraw/zinc/21/04/91/169210491.db2.gz LGGQIRCURAUPAC-FRRDWIJNSA-N 2 1 208.349 1.813 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256496 169210493 /nfs/dbraw/zinc/21/04/93/169210493.db2.gz LGGQIRCURAUPAC-FRRDWIJNSA-N 2 1 208.349 1.813 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c[nH]1 ZINC000080778859 183353260 /nfs/dbraw/zinc/35/32/60/183353260.db2.gz FZCUACCMZRXDDW-QWHCGFSZSA-N 2 1 219.332 1.731 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c[nH]1 ZINC000080778859 183353262 /nfs/dbraw/zinc/35/32/62/183353262.db2.gz FZCUACCMZRXDDW-QWHCGFSZSA-N 2 1 219.332 1.731 20 0 BDADMP c1cc(CC[N@@H+]2CCC[NH2+]CC2)cc2c1OCC2 ZINC000083256695 183366256 /nfs/dbraw/zinc/36/62/56/183366256.db2.gz NMNJTPGBYKVSFO-UHFFFAOYSA-N 2 1 246.354 1.459 20 0 BDADMP c1cc(CC[N@H+]2CCC[NH2+]CC2)cc2c1OCC2 ZINC000083256695 183366257 /nfs/dbraw/zinc/36/62/57/183366257.db2.gz NMNJTPGBYKVSFO-UHFFFAOYSA-N 2 1 246.354 1.459 20 0 BDADMP c1ccc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107580105 183392181 /nfs/dbraw/zinc/39/21/81/183392181.db2.gz BSHIDQXRMQJSCA-GASCZTMLSA-N 2 1 230.355 1.770 20 0 BDADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000082546184 183397148 /nfs/dbraw/zinc/39/71/48/183397148.db2.gz ANQFXPHCUZQSRM-UHFFFAOYSA-N 2 1 231.343 1.657 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000179255271 134319267 /nfs/dbraw/zinc/31/92/67/134319267.db2.gz BLTASFVXFXYGRK-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)CC[N@H+]1C ZINC000221588453 134325595 /nfs/dbraw/zinc/32/55/95/134325595.db2.gz VBXRCEXIOIQSHG-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP COC(=O)CCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226466851 134363712 /nfs/dbraw/zinc/36/37/12/134363712.db2.gz GLYAZBQYOWDDCS-NSHDSACASA-N 2 1 228.336 1.014 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000087646119 383857053 /nfs/dbraw/zinc/85/70/53/383857053.db2.gz ZCDKIOIWCDFYKT-RYUDHWBXSA-N 2 1 219.332 1.732 20 0 BDADMP COC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000347795099 383875578 /nfs/dbraw/zinc/87/55/78/383875578.db2.gz ZSDLWABDJDLXAN-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000313131323 383923846 /nfs/dbraw/zinc/92/38/46/383923846.db2.gz CAKGOTJRCRKNKN-RNJOBUHISA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000313131323 383923851 /nfs/dbraw/zinc/92/38/51/383923851.db2.gz CAKGOTJRCRKNKN-RNJOBUHISA-N 2 1 228.380 1.608 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)[C@H](C)O1 ZINC000401732464 383884164 /nfs/dbraw/zinc/88/41/64/383884164.db2.gz PEBQQQCWMKXWDV-KKJSVHSVSA-N 2 1 212.337 1.140 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000070558177 383942553 /nfs/dbraw/zinc/94/25/53/383942553.db2.gz MLPSMVRUFKLBJA-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000070558177 383942559 /nfs/dbraw/zinc/94/25/59/383942559.db2.gz MLPSMVRUFKLBJA-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545527 384009242 /nfs/dbraw/zinc/00/92/42/384009242.db2.gz RPAMLOOEJIVNQL-JTQLQIEISA-N 2 1 234.347 1.679 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000020524059 384061251 /nfs/dbraw/zinc/06/12/51/384061251.db2.gz ISEFRBAIUMNGSI-JWURUJNWSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000569458666 384065910 /nfs/dbraw/zinc/06/59/10/384065910.db2.gz GQYARGMVSQQATI-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310250788 384106002 /nfs/dbraw/zinc/10/60/02/384106002.db2.gz KIASKEBFSJBVCT-TZMCWYRMSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CO1 ZINC000401847503 384122950 /nfs/dbraw/zinc/12/29/50/384122950.db2.gz BLUXDAQOEVPXJV-VOAKCMCISA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305287235 384165223 /nfs/dbraw/zinc/16/52/23/384165223.db2.gz DBNPCGQTBCZYEG-RFQIPJPRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccs2)C1 ZINC000235440239 384232756 /nfs/dbraw/zinc/23/27/56/384232756.db2.gz QSRYSYUDWDPYKY-NSHDSACASA-N 2 1 210.346 1.919 20 0 BDADMP Cn1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093088880 384209194 /nfs/dbraw/zinc/20/91/94/384209194.db2.gz BIAWCXGLUPVHLD-UHFFFAOYSA-N 2 1 235.375 1.799 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645427 384253153 /nfs/dbraw/zinc/25/31/53/384253153.db2.gz UQTCOSXEPWFCFC-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133560962 384253269 /nfs/dbraw/zinc/25/32/69/384253269.db2.gz VJLQTRDDUNBMOP-UTUOFQBUSA-N 2 1 214.353 1.220 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3cccnc3)C[C@H]21 ZINC000228472012 384257299 /nfs/dbraw/zinc/25/72/99/384257299.db2.gz ZEBXEIIFILXLPY-RBSFLKMASA-N 2 1 245.370 1.683 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313340149 384269549 /nfs/dbraw/zinc/26/95/49/384269549.db2.gz LPYMHHAPDHKGQF-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC000228547490 384275041 /nfs/dbraw/zinc/27/50/41/384275041.db2.gz ODVDMYXIPXTOQR-XJFOESAGSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCN ZINC000083039059 384278599 /nfs/dbraw/zinc/27/85/99/384278599.db2.gz RYZCTIBSXYQKDO-JQWIXIFHSA-N 2 1 222.307 1.962 20 0 BDADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCN ZINC000083039059 384278604 /nfs/dbraw/zinc/27/86/04/384278604.db2.gz RYZCTIBSXYQKDO-JQWIXIFHSA-N 2 1 222.307 1.962 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC000173903219 384284563 /nfs/dbraw/zinc/28/45/63/384284563.db2.gz GVLWVAGJDOGKSV-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000173903219 384284568 /nfs/dbraw/zinc/28/45/68/384284568.db2.gz GVLWVAGJDOGKSV-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000173903219 384284572 /nfs/dbraw/zinc/28/45/72/384284572.db2.gz GVLWVAGJDOGKSV-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@@H+](CCCCCO)CCCn1ccnc1 ZINC000119745678 384298894 /nfs/dbraw/zinc/29/88/94/384298894.db2.gz RNDFAECUKOYSAD-UHFFFAOYSA-N 2 1 225.336 1.368 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)nc1 ZINC000405445960 384338274 /nfs/dbraw/zinc/33/82/74/384338274.db2.gz FPHAYSQJMKITDT-VXGBXAGGSA-N 2 1 219.332 1.605 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000647509910 384349507 /nfs/dbraw/zinc/34/95/07/384349507.db2.gz TVEYVVMFEOAJAY-NWDGAFQWSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000647509910 384349511 /nfs/dbraw/zinc/34/95/11/384349511.db2.gz TVEYVVMFEOAJAY-NWDGAFQWSA-N 2 1 244.342 1.503 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC)[C@H](C)C1 ZINC000174782304 384365724 /nfs/dbraw/zinc/36/57/24/384365724.db2.gz JAWICQBOHYXGHG-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC)[C@H](C)C1 ZINC000174782304 384365726 /nfs/dbraw/zinc/36/57/26/384365726.db2.gz JAWICQBOHYXGHG-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC)[C@H](C)C1 ZINC000174782304 384365730 /nfs/dbraw/zinc/36/57/30/384365730.db2.gz JAWICQBOHYXGHG-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP FCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308829317 384329237 /nfs/dbraw/zinc/32/92/37/384329237.db2.gz IXJVEZKPHYLQNQ-VXGBXAGGSA-N 2 1 214.328 1.810 20 0 BDADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc1 ZINC000647509086 384332359 /nfs/dbraw/zinc/33/23/59/384332359.db2.gz LKXXAINOAZDALL-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc1 ZINC000647509086 384332366 /nfs/dbraw/zinc/33/23/66/384332366.db2.gz LKXXAINOAZDALL-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000556453768 384392052 /nfs/dbraw/zinc/39/20/52/384392052.db2.gz CLDZQYWLURAICC-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000556453768 384392060 /nfs/dbraw/zinc/39/20/60/384392060.db2.gz CLDZQYWLURAICC-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000566416519 384412831 /nfs/dbraw/zinc/41/28/31/384412831.db2.gz MOIAQALPSUWGED-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335642712 384417996 /nfs/dbraw/zinc/41/79/96/384417996.db2.gz HLFDFWLLHDNUDV-XHDPSFHLSA-N 2 1 230.355 1.884 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598720 384386351 /nfs/dbraw/zinc/38/63/51/384386351.db2.gz SLUCFEFZDPBQQG-AAEUAGOBSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598720 384386354 /nfs/dbraw/zinc/38/63/54/384386354.db2.gz SLUCFEFZDPBQQG-AAEUAGOBSA-N 2 1 204.317 1.823 20 0 BDADMP Cc1ccc([C@@H]([NH2+]CC[NH3+])C2CC2)cc1 ZINC000037712919 384510550 /nfs/dbraw/zinc/51/05/50/384510550.db2.gz ISOSLXLVZRHFSO-CYBMUJFWSA-N 2 1 204.317 1.994 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCOC1 ZINC000161711369 384518946 /nfs/dbraw/zinc/51/89/46/384518946.db2.gz VZDPNKYWXHBHIJ-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCOC1 ZINC000161711369 384518953 /nfs/dbraw/zinc/51/89/53/384518953.db2.gz VZDPNKYWXHBHIJ-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1cncc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000304607357 384526157 /nfs/dbraw/zinc/52/61/57/384526157.db2.gz REUNFJOTAVZVJA-ZDUSSCGKSA-N 2 1 221.348 1.853 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019843431 384545870 /nfs/dbraw/zinc/54/58/70/384545870.db2.gz KRGVBKKPYJKHNB-LLVKDONJSA-N 2 1 205.305 1.252 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019843431 384545875 /nfs/dbraw/zinc/54/58/75/384545875.db2.gz KRGVBKKPYJKHNB-LLVKDONJSA-N 2 1 205.305 1.252 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000643057862 384563278 /nfs/dbraw/zinc/56/32/78/384563278.db2.gz NHNUBSXAMRFYGD-GFCCVEGCSA-N 2 1 228.380 1.326 20 0 BDADMP c1cc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000643057147 384559651 /nfs/dbraw/zinc/55/96/51/384559651.db2.gz GELYJWPMOGAQDH-OLZOCXBDSA-N 2 1 248.374 1.589 20 0 BDADMP OCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000643057849 384561661 /nfs/dbraw/zinc/56/16/61/384561661.db2.gz LGWTUIWNRRJNNE-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP c1cncc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020128957 384581029 /nfs/dbraw/zinc/58/10/29/384581029.db2.gz FTKMQPCPFVZKHD-UHFFFAOYSA-N 2 1 219.332 1.657 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000643058178 384565568 /nfs/dbraw/zinc/56/55/68/384565568.db2.gz KIKJZCAZLHLRQB-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000300837277 384596658 /nfs/dbraw/zinc/59/66/58/384596658.db2.gz CTLKADREZREWTE-RWMBFGLXSA-N 2 1 210.365 1.820 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534566 384646777 /nfs/dbraw/zinc/64/67/77/384646777.db2.gz QPXHWYJQJOATAR-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534566 384646780 /nfs/dbraw/zinc/64/67/80/384646780.db2.gz QPXHWYJQJOATAR-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP Nc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000647535836 384648340 /nfs/dbraw/zinc/64/83/40/384648340.db2.gz YAJDPJYEJSPYGC-NSHDSACASA-N 2 1 234.347 1.055 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCc1cccs1 ZINC000086442226 384650981 /nfs/dbraw/zinc/65/09/81/384650981.db2.gz PVAFBJRWEGARLW-UHFFFAOYSA-N 2 1 228.361 1.198 20 0 BDADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)COC1 ZINC000309835254 384652900 /nfs/dbraw/zinc/65/29/00/384652900.db2.gz AYCXUZQNRRQXDM-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+](CC(F)F)CC1CC[NH2+]CC1 ZINC000086703306 384680203 /nfs/dbraw/zinc/68/02/03/384680203.db2.gz LALOTUPKXSFLQC-UHFFFAOYSA-N 2 1 206.280 1.573 20 0 BDADMP CC[N@@H+](CC(F)F)CC1CC[NH2+]CC1 ZINC000086703306 384680208 /nfs/dbraw/zinc/68/02/08/384680208.db2.gz LALOTUPKXSFLQC-UHFFFAOYSA-N 2 1 206.280 1.573 20 0 BDADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300362995 384696901 /nfs/dbraw/zinc/69/69/01/384696901.db2.gz DHJZECHXPNMWAW-AVGNSLFASA-N 2 1 226.364 1.364 20 0 BDADMP c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000647544004 384716995 /nfs/dbraw/zinc/71/69/95/384716995.db2.gz VJQODPSQXJMBDM-STQMWFEESA-N 2 1 249.358 1.886 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@](C)(O)c2ccccc2)CC1 ZINC000052097666 384717443 /nfs/dbraw/zinc/71/74/43/384717443.db2.gz KREPUWYFFBCXNU-HNNXBMFYSA-N 2 1 248.370 1.578 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300413370 384776151 /nfs/dbraw/zinc/77/61/51/384776151.db2.gz BFEBXNJHRLCPOD-IHRRRGAJSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000647550511 384748203 /nfs/dbraw/zinc/74/82/03/384748203.db2.gz VHYHAURSUDPQMW-OLZOCXBDSA-N 2 1 240.391 1.517 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N)nc2)C[C@@H]1C[NH3+] ZINC000647552183 384758081 /nfs/dbraw/zinc/75/80/81/384758081.db2.gz KUTVMDKFYZJYQG-WZRBSPASSA-N 2 1 248.374 1.299 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CC(C)(C)[NH3+])CCOCC2 ZINC000647553208 384769699 /nfs/dbraw/zinc/76/96/99/384769699.db2.gz IXLKMDGTGAFVDI-NSHDSACASA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571628 384772658 /nfs/dbraw/zinc/77/26/58/384772658.db2.gz QHHDVLIENWCSOO-OLZOCXBDSA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335571628 384772662 /nfs/dbraw/zinc/77/26/62/384772662.db2.gz QHHDVLIENWCSOO-OLZOCXBDSA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335571628 384772669 /nfs/dbraw/zinc/77/26/69/384772669.db2.gz QHHDVLIENWCSOO-OLZOCXBDSA-N 2 1 226.364 1.031 20 0 BDADMP C[N@H+](Cc1cccnc1)CC1CC[NH+](C)CC1 ZINC000104083794 384796276 /nfs/dbraw/zinc/79/62/76/384796276.db2.gz ASQVKVOMONHXDF-UHFFFAOYSA-N 2 1 233.359 1.855 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375661828 384809792 /nfs/dbraw/zinc/80/97/92/384809792.db2.gz WTAFJBQHZUYNGF-CHWSQXEVSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375661828 384809795 /nfs/dbraw/zinc/80/97/95/384809795.db2.gz WTAFJBQHZUYNGF-CHWSQXEVSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)C1C[NH2+]C1 ZINC000335040284 384812000 /nfs/dbraw/zinc/81/20/00/384812000.db2.gz FCSQDMBUSRHFFH-BXUZGUMPSA-N 2 1 246.354 1.934 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CO)CC1 ZINC000339754707 384880838 /nfs/dbraw/zinc/88/08/38/384880838.db2.gz UYMZUKKINSODCI-AWEZNQCLSA-N 2 1 242.407 1.813 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000259005211 384955984 /nfs/dbraw/zinc/95/59/84/384955984.db2.gz NJFJIADWZYUQDD-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000259005211 384955992 /nfs/dbraw/zinc/95/59/92/384955992.db2.gz NJFJIADWZYUQDD-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000259005211 384955998 /nfs/dbraw/zinc/95/59/98/384955998.db2.gz NJFJIADWZYUQDD-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000086875309 384896341 /nfs/dbraw/zinc/89/63/41/384896341.db2.gz OJZRXKPZQRWLMU-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](CCCC(C)(C)C)C[C@@H](O)C[NH3+] ZINC000308668448 384908981 /nfs/dbraw/zinc/90/89/81/384908981.db2.gz UKDWDXAQWUKQIU-JTQLQIEISA-N 2 1 202.342 1.064 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)CCOC ZINC000127656079 384911330 /nfs/dbraw/zinc/91/13/30/384911330.db2.gz VNYUZJMUVXPBAP-NEPJUHHUSA-N 2 1 216.369 1.731 20 0 BDADMP C[C@@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000644522507 384926646 /nfs/dbraw/zinc/92/66/46/384926646.db2.gz JUUJXEJQHSKVIN-HZSPNIEDSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1F ZINC000258750826 384939397 /nfs/dbraw/zinc/93/93/97/384939397.db2.gz GMCOOIBLWWFXCW-UHFFFAOYSA-N 2 1 210.296 1.961 20 0 BDADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)C[NH3+] ZINC000258887471 384942993 /nfs/dbraw/zinc/94/29/93/384942993.db2.gz GVQZOZIXLUEFPY-HNNXBMFYSA-N 2 1 244.338 1.591 20 0 BDADMP C[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH3+] ZINC000258887474 384944696 /nfs/dbraw/zinc/94/46/96/384944696.db2.gz GVQZOZIXLUEFPY-OAHLLOKOSA-N 2 1 244.338 1.591 20 0 BDADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000156739356 384945960 /nfs/dbraw/zinc/94/59/60/384945960.db2.gz JVZKHTUWSXSJCV-RFGFWPKPSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000156739356 384945964 /nfs/dbraw/zinc/94/59/64/384945964.db2.gz JVZKHTUWSXSJCV-RFGFWPKPSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000306437165 384946822 /nfs/dbraw/zinc/94/68/22/384946822.db2.gz IXPOBKGZXNJNFF-IUCAKERBSA-N 2 1 204.264 1.324 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000258867105 384947598 /nfs/dbraw/zinc/94/75/98/384947598.db2.gz ZKRGEUUJXZLMLN-UHFFFAOYSA-N 2 1 246.358 1.615 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000258867105 384947603 /nfs/dbraw/zinc/94/76/03/384947603.db2.gz ZKRGEUUJXZLMLN-UHFFFAOYSA-N 2 1 246.358 1.615 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N[C@@H]1CCC[NH2+]C1 ZINC000260052760 384970548 /nfs/dbraw/zinc/97/05/48/384970548.db2.gz DWGTXCKTVLZXOQ-SNVBAGLBSA-N 2 1 249.314 1.422 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccns1 ZINC000404437393 384988174 /nfs/dbraw/zinc/98/81/74/384988174.db2.gz DMEZSMANBGIIIR-IUCAKERBSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccns1 ZINC000404437393 384988184 /nfs/dbraw/zinc/98/81/84/384988184.db2.gz DMEZSMANBGIIIR-IUCAKERBSA-N 2 1 211.334 1.312 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000300861502 385008119 /nfs/dbraw/zinc/00/81/19/385008119.db2.gz NUAOWTAJVJXAFZ-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226396999 385008407 /nfs/dbraw/zinc/00/84/07/385008407.db2.gz UKCBVXYRCAVIJW-GHMZBOCLSA-N 2 1 243.395 1.206 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000310367242 385008830 /nfs/dbraw/zinc/00/88/30/385008830.db2.gz WNBJQRLDPRZVHT-MGPQQGTHSA-N 2 1 240.391 1.874 20 0 BDADMP CCSCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000130010289 385016077 /nfs/dbraw/zinc/01/60/77/385016077.db2.gz QSMNEHRKMKLQJO-LLVKDONJSA-N 2 1 216.394 1.800 20 0 BDADMP Cc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000226955664 385072567 /nfs/dbraw/zinc/07/25/67/385072567.db2.gz GMLHJVCMILZDLF-CMPLNLGQSA-N 2 1 234.347 1.657 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359224923 385073606 /nfs/dbraw/zinc/07/36/06/385073606.db2.gz UDRCTXBJRDTOOB-JSGCOSHPSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000359224923 385073613 /nfs/dbraw/zinc/07/36/13/385073613.db2.gz UDRCTXBJRDTOOB-JSGCOSHPSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000307510934 385036724 /nfs/dbraw/zinc/03/67/24/385036724.db2.gz BWZRWSDJRZSLOM-AXFHLTTASA-N 2 1 214.378 1.612 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000308738258 385045718 /nfs/dbraw/zinc/04/57/18/385045718.db2.gz MXNHPQFVWZTKFT-DCAQKATOSA-N 2 1 216.394 1.668 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308738258 385045721 /nfs/dbraw/zinc/04/57/21/385045721.db2.gz MXNHPQFVWZTKFT-DCAQKATOSA-N 2 1 216.394 1.668 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCO[C@H]1C ZINC000308798196 385114879 /nfs/dbraw/zinc/11/48/79/385114879.db2.gz CYSKOAKLPLHOCD-SRVKXCTJSA-N 2 1 214.353 1.374 20 0 BDADMP OCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157341765 385149876 /nfs/dbraw/zinc/14/98/76/385149876.db2.gz MKDYMCIWWDBMPI-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP OC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000342810207 385168721 /nfs/dbraw/zinc/16/87/21/385168721.db2.gz PGYOZXJGQZOJOC-QWHCGFSZSA-N 2 1 238.375 1.508 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000161505151 385172494 /nfs/dbraw/zinc/17/24/94/385172494.db2.gz QQJHPEWJSKTBDW-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000063192053 385215362 /nfs/dbraw/zinc/21/53/62/385215362.db2.gz DEROHIDIZJMDOM-AAEUAGOBSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000036871221 385230408 /nfs/dbraw/zinc/23/04/08/385230408.db2.gz WIPHJFHVYZLBHR-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H](C)[NH2+]C2CC2)n1 ZINC000564958925 385245549 /nfs/dbraw/zinc/24/55/49/385245549.db2.gz PKWRLJYMAGYLJB-HTQZYQBOSA-N 2 1 224.308 1.033 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000045107870 385246851 /nfs/dbraw/zinc/24/68/51/385246851.db2.gz JDFQWRCPTCOMSZ-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000157702339 385257753 /nfs/dbraw/zinc/25/77/53/385257753.db2.gz CQEMXRJKFHJNLA-UMSGYPCISA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000157702339 385257771 /nfs/dbraw/zinc/25/77/71/385257771.db2.gz CQEMXRJKFHJNLA-UMSGYPCISA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157897373 385301500 /nfs/dbraw/zinc/30/15/00/385301500.db2.gz XGXUYAWSZFAZRK-VXGBXAGGSA-N 2 1 226.364 1.364 20 0 BDADMP CC(C)OCC[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316860599 385335471 /nfs/dbraw/zinc/33/54/71/385335471.db2.gz NOCCBFBNUJZNTE-UPJWGTAASA-N 2 1 228.380 1.859 20 0 BDADMP CC(C)OCC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316860599 385335478 /nfs/dbraw/zinc/33/54/78/385335478.db2.gz NOCCBFBNUJZNTE-UPJWGTAASA-N 2 1 228.380 1.859 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCCCO)CC[N@H+]1C ZINC000158101140 385346864 /nfs/dbraw/zinc/34/68/64/385346864.db2.gz BUQQEEWUMNJXES-NWDGAFQWSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCO ZINC000179149399 385368781 /nfs/dbraw/zinc/36/87/81/385368781.db2.gz FOFKWJUHVFXLEF-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000180194295 385384604 /nfs/dbraw/zinc/38/46/04/385384604.db2.gz DENKZZUOTMJVRW-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]1C[N@H+](Cc2cnc3ccccn23)CC[C@@H]1[NH3+] ZINC000647496479 385388521 /nfs/dbraw/zinc/38/85/21/385388521.db2.gz HPRAEYGFYOOVRJ-AAEUAGOBSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc3ccccn23)CC[C@@H]1[NH3+] ZINC000647496479 385388523 /nfs/dbraw/zinc/38/85/23/385388523.db2.gz HPRAEYGFYOOVRJ-AAEUAGOBSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCO ZINC000179149436 385444508 /nfs/dbraw/zinc/44/45/08/385444508.db2.gz FOFKWJUHVFXLEF-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000309141593 385433202 /nfs/dbraw/zinc/43/32/02/385433202.db2.gz TYPJUCIIGDKYEH-WOPDTQHZSA-N 2 1 208.349 1.716 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000182193807 385433603 /nfs/dbraw/zinc/43/36/03/385433603.db2.gz MGQNXKAREBZZKD-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@@H](C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000182193807 385433610 /nfs/dbraw/zinc/43/36/10/385433610.db2.gz MGQNXKAREBZZKD-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@@H](C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000182193807 385433613 /nfs/dbraw/zinc/43/36/13/385433613.db2.gz MGQNXKAREBZZKD-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390751579 385469036 /nfs/dbraw/zinc/46/90/36/385469036.db2.gz DESQKYRYEYVDLJ-RWMBFGLXSA-N 2 1 240.416 1.671 20 0 BDADMP CC[C@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309216507 385484416 /nfs/dbraw/zinc/48/44/16/385484416.db2.gz FRPKUMZQEPCBNE-ZDUSSCGKSA-N 2 1 226.364 1.364 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257705477 385490747 /nfs/dbraw/zinc/49/07/47/385490747.db2.gz RCVVBISYTBQCNZ-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000295259646 385507798 /nfs/dbraw/zinc/50/77/98/385507798.db2.gz UYURAYOLGBLQFF-HOSYDEDBSA-N 2 1 223.320 1.347 20 0 BDADMP CC(C)C[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309324247 385531419 /nfs/dbraw/zinc/53/14/19/385531419.db2.gz FYFWHBJWACJRSG-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)C[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309324247 385531423 /nfs/dbraw/zinc/53/14/23/385531423.db2.gz FYFWHBJWACJRSG-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309425127 385577946 /nfs/dbraw/zinc/57/79/46/385577946.db2.gz ANLWIQSFUGDOQY-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309425127 385577950 /nfs/dbraw/zinc/57/79/50/385577950.db2.gz ANLWIQSFUGDOQY-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000319171259 385553312 /nfs/dbraw/zinc/55/33/12/385553312.db2.gz LVVZTFISURXVSW-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000309372488 385554461 /nfs/dbraw/zinc/55/44/61/385554461.db2.gz FMQOMGKGWHNQLJ-MDZLAQPJSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000309372488 385554463 /nfs/dbraw/zinc/55/44/63/385554463.db2.gz FMQOMGKGWHNQLJ-MDZLAQPJSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000309372488 385554466 /nfs/dbraw/zinc/55/44/66/385554466.db2.gz FMQOMGKGWHNQLJ-MDZLAQPJSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000309372488 385554469 /nfs/dbraw/zinc/55/44/69/385554469.db2.gz FMQOMGKGWHNQLJ-MDZLAQPJSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)CC[N@@H+]1C ZINC000250074556 385596537 /nfs/dbraw/zinc/59/65/37/385596537.db2.gz OJLSYMWEEBOHQH-RQJABVFESA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)CC[N@H+]1C ZINC000250074556 385596543 /nfs/dbraw/zinc/59/65/43/385596543.db2.gz OJLSYMWEEBOHQH-RQJABVFESA-N 2 1 240.391 1.610 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NC[C@H]3CC[NH2+]C3)c2c1C ZINC000647707545 385585676 /nfs/dbraw/zinc/58/56/76/385585676.db2.gz XINUNBXHKUGSNA-JTQLQIEISA-N 2 1 245.330 1.596 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCN(C)C ZINC000336680179 385629108 /nfs/dbraw/zinc/62/91/08/385629108.db2.gz GJKPQUHDWUSXSH-QWRGUYRKSA-N 2 1 201.358 1.044 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337537206 385699311 /nfs/dbraw/zinc/69/93/11/385699311.db2.gz HBFXDHRMAASFGH-GHMZBOCLSA-N 2 1 248.317 1.831 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cncs1 ZINC000159652523 385706097 /nfs/dbraw/zinc/70/60/97/385706097.db2.gz WPEJKDAIVLXNFF-DTWKUNHWSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cncs1 ZINC000159652523 385706098 /nfs/dbraw/zinc/70/60/98/385706098.db2.gz WPEJKDAIVLXNFF-DTWKUNHWSA-N 2 1 211.334 1.312 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414857983 385730544 /nfs/dbraw/zinc/73/05/44/385730544.db2.gz GYWLIVGJJIWCIX-YNEHKIRRSA-N 3 1 225.380 1.106 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCCCF ZINC000336696571 385747599 /nfs/dbraw/zinc/74/75/99/385747599.db2.gz UCXUBZHCWSWQPT-LLVKDONJSA-N 2 1 202.317 1.939 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCCCF ZINC000336696571 385747601 /nfs/dbraw/zinc/74/76/01/385747601.db2.gz UCXUBZHCWSWQPT-LLVKDONJSA-N 2 1 202.317 1.939 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCCCF ZINC000336696599 385748552 /nfs/dbraw/zinc/74/85/52/385748552.db2.gz UCXUBZHCWSWQPT-NSHDSACASA-N 2 1 202.317 1.939 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCCCF ZINC000336696599 385748553 /nfs/dbraw/zinc/74/85/53/385748553.db2.gz UCXUBZHCWSWQPT-NSHDSACASA-N 2 1 202.317 1.939 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]CC[C@@H]1CCOC1 ZINC000309652155 385769511 /nfs/dbraw/zinc/76/95/11/385769511.db2.gz OMQPWXXWXCLRQH-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H](C[NH3+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414944353 385777255 /nfs/dbraw/zinc/77/72/55/385777255.db2.gz NSMTXEWTVCRCMK-KCQAQPDRSA-N 2 1 247.386 1.444 20 0 BDADMP COc1ccsc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414952848 385825763 /nfs/dbraw/zinc/82/57/63/385825763.db2.gz RCOCVPMRYRUFAT-VHSXEESVSA-N 2 1 240.372 1.987 20 0 BDADMP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000521434457 385829057 /nfs/dbraw/zinc/82/90/57/385829057.db2.gz ZKPLHHSKPCHWGM-SDDRHHMPSA-N 2 1 241.379 1.103 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112346153 385839301 /nfs/dbraw/zinc/83/93/01/385839301.db2.gz KCEHPBQMVPUTID-NWDGAFQWSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112346153 385839303 /nfs/dbraw/zinc/83/93/03/385839303.db2.gz KCEHPBQMVPUTID-NWDGAFQWSA-N 2 1 234.347 1.137 20 0 BDADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)C[NH3+])c1ccccc1 ZINC000262545578 385858512 /nfs/dbraw/zinc/85/85/12/385858512.db2.gz VBVBOJGAEATARM-AAEUAGOBSA-N 2 1 249.358 1.143 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@H]2CCO2)CC[N@@H+]1C ZINC000638115490 385851072 /nfs/dbraw/zinc/85/10/72/385851072.db2.gz DDWKGGWHPBKKEQ-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@H]2CCO2)CC[N@H+]1C ZINC000638115490 385851076 /nfs/dbraw/zinc/85/10/76/385851076.db2.gz DDWKGGWHPBKKEQ-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCC[C@H]2CCO2)CC[NH+]1C ZINC000638115490 385851078 /nfs/dbraw/zinc/85/10/78/385851078.db2.gz DDWKGGWHPBKKEQ-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[C@H]2CCO2)CC[NH+]1C ZINC000638115490 385851082 /nfs/dbraw/zinc/85/10/82/385851082.db2.gz DDWKGGWHPBKKEQ-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP CCCn1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414957603 385853057 /nfs/dbraw/zinc/85/30/57/385853057.db2.gz WCPNADOYBQKYMK-DGCLKSJQSA-N 2 1 236.363 1.523 20 0 BDADMP CO[C@](C)(C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000638076898 385794763 /nfs/dbraw/zinc/79/47/63/385794763.db2.gz OSNZQNAMEQRXJP-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H]([NH3+])CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000294712591 385885487 /nfs/dbraw/zinc/88/54/87/385885487.db2.gz BNPJMHFQBIMJBI-QWHCGFSZSA-N 2 1 249.358 1.143 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000414961980 385889034 /nfs/dbraw/zinc/88/90/34/385889034.db2.gz ZLEPSDXVELHJAQ-SYQHCUMBSA-N 2 1 239.407 1.447 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000414961980 385889037 /nfs/dbraw/zinc/88/90/37/385889037.db2.gz ZLEPSDXVELHJAQ-SYQHCUMBSA-N 3 1 239.407 1.447 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000414961980 385889039 /nfs/dbraw/zinc/88/90/39/385889039.db2.gz ZLEPSDXVELHJAQ-SYQHCUMBSA-N 3 1 239.407 1.447 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122184230 385891947 /nfs/dbraw/zinc/89/19/47/385891947.db2.gz RWAIRJHDUJCTKK-WDEREUQCSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCN1 ZINC000647842487 385891937 /nfs/dbraw/zinc/89/19/37/385891937.db2.gz BTTOKQMMCHUJHC-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1 ZINC000647842487 385891942 /nfs/dbraw/zinc/89/19/42/385891942.db2.gz BTTOKQMMCHUJHC-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647844876 385895012 /nfs/dbraw/zinc/89/50/12/385895012.db2.gz YOWRHUNDKFGXFH-JSGCOSHPSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000294801550 385897053 /nfs/dbraw/zinc/89/70/53/385897053.db2.gz LLIYSCVOHSYCCO-CYBMUJFWSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000294801550 385897058 /nfs/dbraw/zinc/89/70/58/385897058.db2.gz LLIYSCVOHSYCCO-CYBMUJFWSA-N 2 1 233.359 1.774 20 0 BDADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)CCC[NH3+] ZINC000647848391 385898157 /nfs/dbraw/zinc/89/81/57/385898157.db2.gz PDXUBSTVYAYIAI-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336741744 385907373 /nfs/dbraw/zinc/90/73/73/385907373.db2.gz NLSXHWSYAZHCBI-YNEHKIRRSA-N 2 1 228.380 1.325 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1CCCSC1 ZINC000414876306 385910718 /nfs/dbraw/zinc/91/07/18/385910718.db2.gz VQSSHDHUKQEOJF-SNVBAGLBSA-N 2 1 202.367 1.471 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122353637 385913649 /nfs/dbraw/zinc/91/36/49/385913649.db2.gz GCYQIDRSUDGKFT-HBNTYKKESA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000084126084 385865179 /nfs/dbraw/zinc/86/51/79/385865179.db2.gz VEEVBUFKYYICQY-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647815514 385869152 /nfs/dbraw/zinc/86/91/52/385869152.db2.gz UOHOUMCSDUQVFZ-YPMHNXCESA-N 2 1 249.358 1.087 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647815514 385869155 /nfs/dbraw/zinc/86/91/55/385869155.db2.gz UOHOUMCSDUQVFZ-YPMHNXCESA-N 2 1 249.358 1.087 20 0 BDADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000338021512 385875311 /nfs/dbraw/zinc/87/53/11/385875311.db2.gz PTBCFTPQNDWLPF-CYBMUJFWSA-N 2 1 237.347 1.596 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cnn1C ZINC000335017907 385975814 /nfs/dbraw/zinc/97/58/14/385975814.db2.gz BBWKFJHJMMDCQY-CHWSQXEVSA-N 2 1 236.363 1.478 20 0 BDADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)[C@@H]1CCCO1 ZINC000335018938 385978975 /nfs/dbraw/zinc/97/89/75/385978975.db2.gz XJQXXIDZECADQB-LBPRGKRZSA-N 2 1 224.348 1.383 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000335039996 385931507 /nfs/dbraw/zinc/93/15/07/385931507.db2.gz NYOKTZXOTSDIQM-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000335044226 385938732 /nfs/dbraw/zinc/93/87/32/385938732.db2.gz UTXJVNLRUQPGNQ-RYUDHWBXSA-N 2 1 226.364 1.269 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000335044223 385939393 /nfs/dbraw/zinc/93/93/93/385939393.db2.gz UTXJVNLRUQPGNQ-NEPJUHHUSA-N 2 1 226.364 1.269 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000342192675 385943397 /nfs/dbraw/zinc/94/33/97/385943397.db2.gz BKWWDGWLIRDVDB-UWVGGRQHSA-N 2 1 241.285 1.891 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000338280930 385947036 /nfs/dbraw/zinc/94/70/36/385947036.db2.gz VTSTWVJYMJJQLI-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C1CCC([N@H+]2CC[C@@H](NC3CC[NH2+]CC3)C2)C1 ZINC000335055975 385955906 /nfs/dbraw/zinc/95/59/06/385955906.db2.gz TZOWCDVXEOVSGY-CYBMUJFWSA-N 2 1 237.391 1.345 20 0 BDADMP Cc1noc(C)c1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000335066232 386003640 /nfs/dbraw/zinc/00/36/40/386003640.db2.gz RPLUMYXPENLEAX-GXTWGEPZSA-N 2 1 249.358 1.817 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000336750801 386004595 /nfs/dbraw/zinc/00/45/95/386004595.db2.gz ZVMNIFBXRFQKPQ-YVECIDJPSA-N 2 1 228.380 1.730 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414882729 386020426 /nfs/dbraw/zinc/02/04/26/386020426.db2.gz CFXRFLQTAJEATB-RWMBFGLXSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000414176987 386021001 /nfs/dbraw/zinc/02/10/01/386021001.db2.gz IQLNSFNCARFFNK-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000345160813 386021809 /nfs/dbraw/zinc/02/18/09/386021809.db2.gz QDUPLACHYUQKOW-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343274802 386039929 /nfs/dbraw/zinc/03/99/29/386039929.db2.gz WTRWTVXICVOYKP-MJBXVCDLSA-N 2 1 240.391 1.923 20 0 BDADMP CO[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000425424220 386043626 /nfs/dbraw/zinc/04/36/26/386043626.db2.gz WADZOEZLBPWHNN-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000425424220 386043631 /nfs/dbraw/zinc/04/36/31/386043631.db2.gz WADZOEZLBPWHNN-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000425424220 386043636 /nfs/dbraw/zinc/04/36/36/386043636.db2.gz WADZOEZLBPWHNN-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979006 386049667 /nfs/dbraw/zinc/04/96/67/386049667.db2.gz SZPGZOSIKFOXAA-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH2+][C@H](C)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414980237 386053071 /nfs/dbraw/zinc/05/30/71/386053071.db2.gz WBUIVELZWUETOZ-NWDGAFQWSA-N 2 1 228.380 1.637 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC000414885369 386054594 /nfs/dbraw/zinc/05/45/94/386054594.db2.gz GKFSYMGBLJGENX-FRRDWIJNSA-N 2 1 226.364 1.532 20 0 BDADMP CCN(C)c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cn1 ZINC000414888584 386101715 /nfs/dbraw/zinc/10/17/15/386101715.db2.gz KFONNGOEPUMYOE-ZDUSSCGKSA-N 2 1 248.374 1.365 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665198 386107545 /nfs/dbraw/zinc/10/75/45/386107545.db2.gz UUJDOEKVCJTPSP-RQJABVFESA-N 2 1 239.407 1.434 20 0 BDADMP CC1=CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000334459986 386112141 /nfs/dbraw/zinc/11/21/41/386112141.db2.gz UERNFGXEBMTHKC-CHWSQXEVSA-N 2 1 224.348 1.141 20 0 BDADMP CC1=CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000334459986 386112149 /nfs/dbraw/zinc/11/21/49/386112149.db2.gz UERNFGXEBMTHKC-CHWSQXEVSA-N 2 1 224.348 1.141 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@H]2C)c1C ZINC000054374318 386123993 /nfs/dbraw/zinc/12/39/93/386123993.db2.gz BAOFYQXMFZWMRN-LLVKDONJSA-N 2 1 249.358 1.501 20 0 BDADMP CO[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)C1CC1 ZINC000425443007 386076597 /nfs/dbraw/zinc/07/65/97/386076597.db2.gz LAJGGJXFJYFOOF-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000365401954 386080728 /nfs/dbraw/zinc/08/07/28/386080728.db2.gz HHOANDJQKXQWGF-ZDUSSCGKSA-N 3 1 236.363 1.299 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414660316 386090593 /nfs/dbraw/zinc/09/05/93/386090593.db2.gz MPJQHDPHTXRTCH-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414660316 386090597 /nfs/dbraw/zinc/09/05/97/386090597.db2.gz MPJQHDPHTXRTCH-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000414663327 386097058 /nfs/dbraw/zinc/09/70/58/386097058.db2.gz REEHECCYABFRJY-RYUDHWBXSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+](C)CC(C)(C)CN)CC[NH2+]1 ZINC000414663327 386097064 /nfs/dbraw/zinc/09/70/64/386097064.db2.gz REEHECCYABFRJY-RYUDHWBXSA-N 2 1 227.396 1.291 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(C)(C)CN)CC[NH2+]1 ZINC000414663327 386097066 /nfs/dbraw/zinc/09/70/66/386097066.db2.gz REEHECCYABFRJY-RYUDHWBXSA-N 2 1 227.396 1.291 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662392 386099114 /nfs/dbraw/zinc/09/91/14/386099114.db2.gz QAZJXZJSRPKKFN-MGPQQGTHSA-N 3 1 241.423 1.680 20 0 BDADMP [NH3+]CCOCC[N@@H+](C1CC1)C1CCCCC1 ZINC000647877208 386145458 /nfs/dbraw/zinc/14/54/58/386145458.db2.gz LCOPIMARZWLINA-UHFFFAOYSA-N 2 1 226.364 1.759 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414991956 386150400 /nfs/dbraw/zinc/15/04/00/386150400.db2.gz BIGLPLKCRJFXST-AGIUHOORSA-N 2 1 227.396 1.467 20 0 BDADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000336722404 386160027 /nfs/dbraw/zinc/16/00/27/386160027.db2.gz YDXBKOOYNVMJAI-OLZOCXBDSA-N 2 1 237.347 1.596 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](CCCCO)C2CC2)CC[NH2+]1 ZINC000414687254 386170138 /nfs/dbraw/zinc/17/01/38/386170138.db2.gz BYENULWURVXEGC-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000414687271 386170619 /nfs/dbraw/zinc/17/06/19/386170619.db2.gz CAATZXVOGLXXSU-LBPRGKRZSA-N 2 1 222.307 1.964 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000157419316 386172676 /nfs/dbraw/zinc/17/26/76/386172676.db2.gz RJGOLABGOZFYFB-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000157419316 386172680 /nfs/dbraw/zinc/17/26/80/386172680.db2.gz RJGOLABGOZFYFB-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP C1CC1[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895285 386182975 /nfs/dbraw/zinc/18/29/75/386182975.db2.gz WQAAFYTZMFJGJH-YNEHKIRRSA-N 2 1 208.349 1.907 20 0 BDADMP CC[C@H](F)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000440764934 386139973 /nfs/dbraw/zinc/13/99/73/386139973.db2.gz NNHJVBPGQZMMNN-ZDUSSCGKSA-N 2 1 245.386 1.304 20 0 BDADMP [NH3+]CCC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000414697715 386201262 /nfs/dbraw/zinc/20/12/62/386201262.db2.gz QCRHTURCNKJJAT-HNNXBMFYSA-N 2 1 248.370 1.707 20 0 BDADMP C[C@@H](c1cccnc1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000414700440 386205014 /nfs/dbraw/zinc/20/50/14/386205014.db2.gz SPGJEKPFAPWKKZ-ZDUSSCGKSA-N 2 1 248.374 1.109 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCOC2CCC2)CCN1C ZINC000347052699 386206866 /nfs/dbraw/zinc/20/68/66/386206866.db2.gz KQBVEKUYLXGHQU-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCOC2CCC2)CC[N@@H+]1C ZINC000347052699 386206873 /nfs/dbraw/zinc/20/68/73/386206873.db2.gz KQBVEKUYLXGHQU-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCOC2CCC2)CC[N@H+]1C ZINC000347052699 386206877 /nfs/dbraw/zinc/20/68/77/386206877.db2.gz KQBVEKUYLXGHQU-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCOC2CCC2)CC[NH+]1C ZINC000347052699 386206882 /nfs/dbraw/zinc/20/68/82/386206882.db2.gz KQBVEKUYLXGHQU-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cncs1 ZINC000157456710 386213884 /nfs/dbraw/zinc/21/38/84/386213884.db2.gz YGJQBIYEUFHEKG-UHFFFAOYSA-N 2 1 222.317 1.438 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCn2cccn2)c2ccccc21 ZINC000132048964 386219383 /nfs/dbraw/zinc/21/93/83/386219383.db2.gz BKCRXEYUZDRWQN-ZIAGYGMSSA-N 2 1 242.326 1.618 20 0 BDADMP COc1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647882152 386221388 /nfs/dbraw/zinc/22/13/88/386221388.db2.gz PUXTVMIPWRXOBX-LBPRGKRZSA-N 2 1 246.354 1.663 20 0 BDADMP COc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647882152 386221393 /nfs/dbraw/zinc/22/13/93/386221393.db2.gz PUXTVMIPWRXOBX-LBPRGKRZSA-N 2 1 246.354 1.663 20 0 BDADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH3+])C1 ZINC000414712641 386229010 /nfs/dbraw/zinc/22/90/10/386229010.db2.gz UXCMPICJZYUFFE-GHMZBOCLSA-N 2 1 216.394 1.941 20 0 BDADMP CCC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414712357 386230529 /nfs/dbraw/zinc/23/05/29/386230529.db2.gz UAPCHJANKZFCBX-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CCC[NH3+])CCS1 ZINC000414713411 386232042 /nfs/dbraw/zinc/23/20/42/386232042.db2.gz VSRLLLFFSAUXKS-JTQLQIEISA-N 2 1 202.367 1.409 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414715016 386235764 /nfs/dbraw/zinc/23/57/64/386235764.db2.gz VZGOORIKIVZLOX-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414716026 386243145 /nfs/dbraw/zinc/24/31/45/386243145.db2.gz WMSUZVHOTOKHIO-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)CC[C@@H](C)O ZINC000414717822 386247545 /nfs/dbraw/zinc/24/75/45/386247545.db2.gz YEJYHQDHUPPCMQ-MNOVXSKESA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)CC[C@@H](C)O ZINC000414717822 386247551 /nfs/dbraw/zinc/24/75/51/386247551.db2.gz YEJYHQDHUPPCMQ-MNOVXSKESA-N 2 1 202.342 1.063 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000336645576 386251195 /nfs/dbraw/zinc/25/11/95/386251195.db2.gz IEBHWVHKIMWCST-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698159 386198167 /nfs/dbraw/zinc/19/81/67/386198167.db2.gz IQIKNZIIQVGANB-XDQVBPFNSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H]1C[C@@H](CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698159 386198173 /nfs/dbraw/zinc/19/81/73/386198173.db2.gz IQIKNZIIQVGANB-XDQVBPFNSA-N 2 1 237.391 1.058 20 0 BDADMP CCS[C@@H]1CCCC[N@@H+](CCC[NH3+])C1 ZINC000414698437 386199323 /nfs/dbraw/zinc/19/93/23/386199323.db2.gz QVNUJRRUYNXGBO-LLVKDONJSA-N 2 1 216.394 1.943 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1CO ZINC000414733913 386299714 /nfs/dbraw/zinc/29/97/14/386299714.db2.gz FEKCKFKGCZFGKV-FDYHWXHSSA-N 2 1 226.364 1.077 20 0 BDADMP Cn1nccc1CC[N@@H+](C)CCCn1ccnc1 ZINC000276322529 386302531 /nfs/dbraw/zinc/30/25/31/386302531.db2.gz PBRZRIULPWEILD-UHFFFAOYSA-N 2 1 247.346 1.181 20 0 BDADMP CSCC[N@H+](C)CCn1cc[nH+]c1C ZINC000336669437 386312037 /nfs/dbraw/zinc/31/20/37/386312037.db2.gz DHXNTCUOSYTURY-UHFFFAOYSA-N 2 1 213.350 1.486 20 0 BDADMP CSCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000336669437 386312041 /nfs/dbraw/zinc/31/20/41/386312041.db2.gz DHXNTCUOSYTURY-UHFFFAOYSA-N 2 1 213.350 1.486 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000335260617 386318824 /nfs/dbraw/zinc/31/88/24/386318824.db2.gz ZKUXYCNXZXDZAQ-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335260932 386319013 /nfs/dbraw/zinc/31/90/13/386319013.db2.gz XXCLQTUVRWPKQV-GFCCVEGCSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2NCC3)CC[NH2+]1 ZINC000335261598 386320627 /nfs/dbraw/zinc/32/06/27/386320627.db2.gz ONCPSNVRNDMIEB-RISCZKNCSA-N 2 1 245.370 1.885 20 0 BDADMP Cn1cncc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000265258237 386322628 /nfs/dbraw/zinc/32/26/28/386322628.db2.gz QHMARXLNVJCMSM-ZDUSSCGKSA-N 2 1 249.289 1.382 20 0 BDADMP CC[C@@H](C)[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000336658433 386274643 /nfs/dbraw/zinc/27/46/43/386274643.db2.gz MTLSJBGQQAEFGF-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000336658433 386274648 /nfs/dbraw/zinc/27/46/48/386274648.db2.gz MTLSJBGQQAEFGF-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000336658433 386274655 /nfs/dbraw/zinc/27/46/55/386274655.db2.gz MTLSJBGQQAEFGF-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000647987603 386276033 /nfs/dbraw/zinc/27/60/33/386276033.db2.gz HWYSKDODFWVIEH-RDBSUJKOSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000647987603 386276038 /nfs/dbraw/zinc/27/60/38/386276038.db2.gz HWYSKDODFWVIEH-RDBSUJKOSA-N 3 1 237.391 1.060 20 0 BDADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000647885746 386278858 /nfs/dbraw/zinc/27/88/58/386278858.db2.gz LHKCCFVVDNMCKJ-ZFWWWQNUSA-N 2 1 248.370 1.651 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC000336682733 386340420 /nfs/dbraw/zinc/34/04/20/386340420.db2.gz YPOJKIBVHYNFLB-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336682733 386340427 /nfs/dbraw/zinc/34/04/27/386340427.db2.gz YPOJKIBVHYNFLB-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336682733 386340433 /nfs/dbraw/zinc/34/04/33/386340433.db2.gz YPOJKIBVHYNFLB-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](CCCO)CCCC1CC[NH2+]CC1 ZINC000647888024 386345170 /nfs/dbraw/zinc/34/51/70/386345170.db2.gz BGMWQFOQSFJOSA-UHFFFAOYSA-N 2 1 228.380 1.471 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cn1 ZINC000336687682 386351790 /nfs/dbraw/zinc/35/17/90/386351790.db2.gz AYSJSKFDRHFTLJ-ZIAGYGMSSA-N 2 1 249.358 1.632 20 0 BDADMP CC[C@H]1CCC[C@@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000414905102 386353172 /nfs/dbraw/zinc/35/31/72/386353172.db2.gz AQWYHDSNDNYPDU-QWHCGFSZSA-N 2 1 228.380 1.456 20 0 BDADMP CC[C@H]1CCC[C@@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000414905102 386353173 /nfs/dbraw/zinc/35/31/73/386353173.db2.gz AQWYHDSNDNYPDU-QWHCGFSZSA-N 2 1 228.380 1.456 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000647989580 386358621 /nfs/dbraw/zinc/35/86/21/386358621.db2.gz HMBRRMVLZRIEAK-OCCSQVGLSA-N 2 1 238.375 1.344 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414906080 386372254 /nfs/dbraw/zinc/37/22/54/386372254.db2.gz ORYNMTRTTLIXDQ-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414906080 386372258 /nfs/dbraw/zinc/37/22/58/386372258.db2.gz ORYNMTRTTLIXDQ-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414906080 386372263 /nfs/dbraw/zinc/37/22/63/386372263.db2.gz ORYNMTRTTLIXDQ-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(CCOCC(C)C)C1 ZINC000336695374 386373689 /nfs/dbraw/zinc/37/36/89/386373689.db2.gz OAUFIPJPQSLWNE-AWEZNQCLSA-N 2 1 242.407 1.933 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCC(C)C)C1 ZINC000336695374 386373698 /nfs/dbraw/zinc/37/36/98/386373698.db2.gz OAUFIPJPQSLWNE-AWEZNQCLSA-N 2 1 242.407 1.933 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC(C)C)C1 ZINC000336695374 386373705 /nfs/dbraw/zinc/37/37/05/386373705.db2.gz OAUFIPJPQSLWNE-AWEZNQCLSA-N 2 1 242.407 1.933 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000336695374 386373713 /nfs/dbraw/zinc/37/37/13/386373713.db2.gz OAUFIPJPQSLWNE-AWEZNQCLSA-N 2 1 242.407 1.933 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000336695374 386373718 /nfs/dbraw/zinc/37/37/18/386373718.db2.gz OAUFIPJPQSLWNE-AWEZNQCLSA-N 2 1 242.407 1.933 20 0 BDADMP CCOCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336684302 386333399 /nfs/dbraw/zinc/33/33/99/386333399.db2.gz DZJLXDYEPLOSNY-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CCOCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336684302 386333407 /nfs/dbraw/zinc/33/34/07/386333407.db2.gz DZJLXDYEPLOSNY-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CCOCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336684302 386333411 /nfs/dbraw/zinc/33/34/11/386333411.db2.gz DZJLXDYEPLOSNY-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414740432 386333472 /nfs/dbraw/zinc/33/34/72/386333472.db2.gz LHYIQOWMIBCEKY-UPJWGTAASA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000414767187 386440127 /nfs/dbraw/zinc/44/01/27/386440127.db2.gz IPCQQBHSMYRYRP-MBNYWOFBSA-N 2 1 240.391 1.861 20 0 BDADMP COC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336718971 386444489 /nfs/dbraw/zinc/44/44/89/386444489.db2.gz NITBSALQZXBZIG-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)C(C)C ZINC000336722074 386447411 /nfs/dbraw/zinc/44/74/11/386447411.db2.gz SSDHKOLYXRAYGA-JSGCOSHPSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)C(C)C ZINC000336722074 386447420 /nfs/dbraw/zinc/44/74/20/386447420.db2.gz SSDHKOLYXRAYGA-JSGCOSHPSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)C(C)C ZINC000336722074 386447429 /nfs/dbraw/zinc/44/74/29/386447429.db2.gz SSDHKOLYXRAYGA-JSGCOSHPSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)C(C)C ZINC000336722074 386447435 /nfs/dbraw/zinc/44/74/35/386447435.db2.gz SSDHKOLYXRAYGA-JSGCOSHPSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1c(C)noc1C ZINC000647992217 386450581 /nfs/dbraw/zinc/45/05/81/386450581.db2.gz SNVRBDPFHDNQOB-NWDGAFQWSA-N 2 1 237.347 1.942 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](CN)C1 ZINC000414769734 386450676 /nfs/dbraw/zinc/45/06/76/386450676.db2.gz NPSDXMMPJOFEPH-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C[NH3+])C1 ZINC000414769734 386450682 /nfs/dbraw/zinc/45/06/82/386450682.db2.gz NPSDXMMPJOFEPH-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336700355 386401201 /nfs/dbraw/zinc/40/12/01/386401201.db2.gz KTHQPJHZLJXTFS-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)CC[C@@H]1CCCO1 ZINC000414757398 386402771 /nfs/dbraw/zinc/40/27/71/386402771.db2.gz LBTLKVJJSFVUNF-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000414757398 386402773 /nfs/dbraw/zinc/40/27/73/386402773.db2.gz LBTLKVJJSFVUNF-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP Cn1nccc1[C@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000414758458 386408398 /nfs/dbraw/zinc/40/83/98/386408398.db2.gz CQYZAZUIGVTWJZ-GFCCVEGCSA-N 2 1 222.336 1.296 20 0 BDADMP Cn1nccc1[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000414758458 386408403 /nfs/dbraw/zinc/40/84/03/386408403.db2.gz CQYZAZUIGVTWJZ-GFCCVEGCSA-N 2 1 222.336 1.296 20 0 BDADMP Cc1noc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000336707240 386409651 /nfs/dbraw/zinc/40/96/51/386409651.db2.gz ONJLHHFAEWZKKE-UHFFFAOYSA-N 2 1 238.335 1.152 20 0 BDADMP CCC1(O)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336711626 386412319 /nfs/dbraw/zinc/41/23/19/386412319.db2.gz RMDZARKOZHIRAN-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP COC(=O)C(C)(C)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000339409483 386414415 /nfs/dbraw/zinc/41/44/15/386414415.db2.gz ZMFDETYWMNWONJ-UHFFFAOYSA-N 2 1 244.379 1.492 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399116402 386415769 /nfs/dbraw/zinc/41/57/69/386415769.db2.gz DKRFHRWNMCGHJX-AVGNSLFASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000442664328 386416608 /nfs/dbraw/zinc/41/66/08/386416608.db2.gz WILWGRZRCPHTCA-OLZOCXBDSA-N 2 1 248.374 1.107 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336708513 386418366 /nfs/dbraw/zinc/41/83/66/386418366.db2.gz IJIDWPRRDJAYOK-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000414763896 386430245 /nfs/dbraw/zinc/43/02/45/386430245.db2.gz YFDMNYPEOYENBS-RDBSUJKOSA-N 2 1 239.407 1.386 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775036 386473041 /nfs/dbraw/zinc/47/30/41/386473041.db2.gz GBARUHLFJMYRAF-OLZOCXBDSA-N 2 1 237.391 1.047 20 0 BDADMP NCC1(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775036 386473050 /nfs/dbraw/zinc/47/30/50/386473050.db2.gz GBARUHLFJMYRAF-OLZOCXBDSA-N 2 1 237.391 1.047 20 0 BDADMP NCC1(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775036 386473052 /nfs/dbraw/zinc/47/30/52/386473052.db2.gz GBARUHLFJMYRAF-OLZOCXBDSA-N 2 1 237.391 1.047 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc12 ZINC000415010621 386474641 /nfs/dbraw/zinc/47/46/41/386474641.db2.gz PNYNBKAVADYNIH-YUMQZZPRSA-N 2 1 233.319 1.092 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227517721 386490667 /nfs/dbraw/zinc/49/06/67/386490667.db2.gz MQFQWSNJGFUGOM-KBPBESRZSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227517721 386490669 /nfs/dbraw/zinc/49/06/69/386490669.db2.gz MQFQWSNJGFUGOM-KBPBESRZSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1ccnc1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000062252287 386508249 /nfs/dbraw/zinc/50/82/49/386508249.db2.gz BEJRWPNJIVIBPL-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1ccnc1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000062252287 386508252 /nfs/dbraw/zinc/50/82/52/386508252.db2.gz BEJRWPNJIVIBPL-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@H](c3cccnc3)C2)CC[NH2+]C1 ZINC000335449130 386518025 /nfs/dbraw/zinc/51/80/25/386518025.db2.gz VOUCUBPNXYPZDE-LSDHHAIUSA-N 2 1 245.370 1.871 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415030414 386519983 /nfs/dbraw/zinc/51/99/83/386519983.db2.gz CJGBBXGQYWLXQV-CQSZACIVSA-N 2 1 234.343 1.463 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543656 386522507 /nfs/dbraw/zinc/52/25/07/386522507.db2.gz IAXPNOYMEFOKSA-NWDGAFQWSA-N 2 1 249.362 1.078 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543656 386522512 /nfs/dbraw/zinc/52/25/12/386522512.db2.gz IAXPNOYMEFOKSA-NWDGAFQWSA-N 2 1 249.362 1.078 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543656 386522521 /nfs/dbraw/zinc/52/25/21/386522521.db2.gz IAXPNOYMEFOKSA-NWDGAFQWSA-N 2 1 249.362 1.078 20 0 BDADMP C[C@@H]1OCC[C@@]1(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000336780163 386523866 /nfs/dbraw/zinc/52/38/66/386523866.db2.gz QPSFPMYUBBIAGJ-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccccc1N(C)C ZINC000414787274 386523885 /nfs/dbraw/zinc/52/38/85/386523885.db2.gz CCUHWZFQMGUTCG-ZDUSSCGKSA-N 2 1 235.375 1.826 20 0 BDADMP CCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415038197 386525027 /nfs/dbraw/zinc/52/50/27/386525027.db2.gz NOELTJZCWVNUHE-WDNDVIMCSA-N 2 1 232.327 1.393 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)NC[C@H]2C)CC[NH2+]1 ZINC000414769032 386453325 /nfs/dbraw/zinc/45/33/25/386453325.db2.gz VYZLEZRANQZNAA-YVECIDJPSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC000414769032 386453333 /nfs/dbraw/zinc/45/33/33/386453333.db2.gz VYZLEZRANQZNAA-YVECIDJPSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770222 386455997 /nfs/dbraw/zinc/45/59/97/386455997.db2.gz XVGDKWXUCNRTSF-RYUDHWBXSA-N 2 1 236.363 1.240 20 0 BDADMP CO[C@@]1(C)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336725088 386461206 /nfs/dbraw/zinc/46/12/06/386461206.db2.gz MURRWDQKQJOMQJ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@]1(C)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336725088 386461209 /nfs/dbraw/zinc/46/12/09/386461209.db2.gz MURRWDQKQJOMQJ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH2+]CC1 ZINC000414774514 386465577 /nfs/dbraw/zinc/46/55/77/386465577.db2.gz BLKDGGIFSKDGSQ-GXTWGEPZSA-N 3 1 239.407 1.639 20 0 BDADMP CCN1CCCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415076363 386579728 /nfs/dbraw/zinc/57/97/28/386579728.db2.gz GIAAQCYMMHTRQX-KGLIPLIRSA-N 2 1 239.407 1.593 20 0 BDADMP CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343245311 386582437 /nfs/dbraw/zinc/58/24/37/386582437.db2.gz BUSUUASGNMBQRS-JHJVBQTASA-N 2 1 226.364 1.533 20 0 BDADMP CSCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000519713406 386533364 /nfs/dbraw/zinc/53/33/64/386533364.db2.gz UTKXOERMSOWYBN-UHFFFAOYSA-N 2 1 246.420 1.174 20 0 BDADMP Cc1ccsc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415048746 386534165 /nfs/dbraw/zinc/53/41/65/386534165.db2.gz XGJYATBVRGGWTL-LLVKDONJSA-N 2 1 240.372 1.525 20 0 BDADMP c1cn2c([nH+]1)C[C@H](C[NH2+]CC1CCOCC1)CC2 ZINC000366803495 386534843 /nfs/dbraw/zinc/53/48/43/386534843.db2.gz YVHMNUIXRVSHRV-CYBMUJFWSA-N 2 1 249.358 1.462 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](CN)C(C)(C)C)cn1 ZINC000415056053 386539031 /nfs/dbraw/zinc/53/90/31/386539031.db2.gz PGAZLVNEBYMWOR-LBPRGKRZSA-N 2 1 221.348 1.853 20 0 BDADMP Oc1cccc2c1CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335459745 386540119 /nfs/dbraw/zinc/54/01/19/386540119.db2.gz DHRWAGMEKGUQOV-CYBMUJFWSA-N 2 1 232.327 1.579 20 0 BDADMP CCCn1cc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000415063620 386545761 /nfs/dbraw/zinc/54/57/61/386545761.db2.gz AQFJDFSEELKHTC-UHFFFAOYSA-N 2 1 236.363 1.525 20 0 BDADMP COC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200274 386547804 /nfs/dbraw/zinc/54/78/04/386547804.db2.gz WLWCOXDTFFYZPI-PWSUYJOCSA-N 2 1 240.347 1.012 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC[C@@H]1CCOC1)C1CCCC1 ZINC000415065468 386548165 /nfs/dbraw/zinc/54/81/65/386548165.db2.gz MSUVSBPPNOEJEY-YPMHNXCESA-N 2 1 226.364 1.520 20 0 BDADMP CC[NH+](CC)CCCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336755831 386548281 /nfs/dbraw/zinc/54/82/81/386548281.db2.gz GNLGIAKQYNXRBD-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975108 386549168 /nfs/dbraw/zinc/54/91/68/386549168.db2.gz LNMMAFMAXZAUEE-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC[C@H]1CCOC1)C1CCCC1 ZINC000415065467 386549476 /nfs/dbraw/zinc/54/94/76/386549476.db2.gz MSUVSBPPNOEJEY-WCQYABFASA-N 2 1 226.364 1.520 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415069445 386551045 /nfs/dbraw/zinc/55/10/45/386551045.db2.gz GHSNMHATUDOJEH-OLZOCXBDSA-N 2 1 228.380 1.779 20 0 BDADMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414793399 386553527 /nfs/dbraw/zinc/55/35/27/386553527.db2.gz DHPPNGNJVFBRBD-AWEZNQCLSA-N 2 1 234.343 1.912 20 0 BDADMP CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414793403 386555708 /nfs/dbraw/zinc/55/57/08/386555708.db2.gz DHPPNGNJVFBRBD-CQSZACIVSA-N 2 1 234.343 1.912 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCCOC)CC[C@@H]1[NH3+] ZINC000647936819 386557588 /nfs/dbraw/zinc/55/75/88/386557588.db2.gz LUBLWSUXTWUTMC-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCCNC2)CC[NH2+]1 ZINC000415073547 386564440 /nfs/dbraw/zinc/56/44/40/386564440.db2.gz NPQCICIGZDHHSX-FRRDWIJNSA-N 2 1 225.380 1.106 20 0 BDADMP COCCC[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000062036289 386564679 /nfs/dbraw/zinc/56/46/79/386564679.db2.gz SWOSDBHXGHLPQI-NSHDSACASA-N 2 1 202.342 1.328 20 0 BDADMP COCCC[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000062036289 386564681 /nfs/dbraw/zinc/56/46/81/386564681.db2.gz SWOSDBHXGHLPQI-NSHDSACASA-N 2 1 202.342 1.328 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH2+]C1 ZINC000415074624 386567493 /nfs/dbraw/zinc/56/74/93/386567493.db2.gz DAOICYHHHPPGAF-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP CC[C@H]1CC[C@H](C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000136184927 386568297 /nfs/dbraw/zinc/56/82/97/386568297.db2.gz AMILAOBJIQSWRT-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000415073865 386571179 /nfs/dbraw/zinc/57/11/79/386571179.db2.gz YZGYODJPVZMNFR-AGIUHOORSA-N 2 1 228.380 1.454 20 0 BDADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1 ZINC000415073868 386572291 /nfs/dbraw/zinc/57/22/91/386572291.db2.gz YZGYODJPVZMNFR-JHJVBQTASA-N 2 1 228.380 1.454 20 0 BDADMP COCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976214 386572452 /nfs/dbraw/zinc/57/24/52/386572452.db2.gz LMRYDXZFTHANDG-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP COc1ccsc1C[NH2+]C1CC[NH2+]CC1 ZINC000414795212 386573047 /nfs/dbraw/zinc/57/30/47/386573047.db2.gz WTDRHCHAHUBGSE-UHFFFAOYSA-N 2 1 226.345 1.598 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1cccnc1C ZINC000414809588 386622288 /nfs/dbraw/zinc/62/22/88/386622288.db2.gz VPNWZAZRNUNTCS-UHFFFAOYSA-N 2 1 221.348 1.997 20 0 BDADMP C[C@@H](CO)[N@@H+](CC1CCC1)CC1CC[NH2+]CC1 ZINC000415104766 386624865 /nfs/dbraw/zinc/62/48/65/386624865.db2.gz LNSWLANWAOUYCM-LBPRGKRZSA-N 2 1 240.391 1.469 20 0 BDADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000415104693 386625188 /nfs/dbraw/zinc/62/51/88/386625188.db2.gz LERNMGPIABYQGH-KKUMJFAQSA-N 2 1 246.354 1.716 20 0 BDADMP Cc1ccc(F)cc1C[NH2+]CC(C)(C)[NH3+] ZINC000414809231 386627968 /nfs/dbraw/zinc/62/79/68/386627968.db2.gz VEZCXORMQVPYQP-UHFFFAOYSA-N 2 1 210.296 1.961 20 0 BDADMP COc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414811837 386628683 /nfs/dbraw/zinc/62/86/83/386628683.db2.gz WRDWLYBONAOUNO-ZDUSSCGKSA-N 2 1 220.316 1.522 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCSCC1 ZINC000414810655 386629751 /nfs/dbraw/zinc/62/97/51/386629751.db2.gz ICYPXMYLSQJYRU-NSHDSACASA-N 2 1 216.394 1.989 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000414812029 386638828 /nfs/dbraw/zinc/63/88/28/386638828.db2.gz KFPRVBZAUJXCSN-GHMZBOCLSA-N 2 1 216.394 1.989 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414814560 386642717 /nfs/dbraw/zinc/64/27/17/386642717.db2.gz ZHSFUNPHFQPAJY-RISCZKNCSA-N 2 1 248.370 1.953 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1F ZINC000414925664 386649184 /nfs/dbraw/zinc/64/91/84/386649184.db2.gz IYFHXFVVECQTHX-NXEZZACHSA-N 2 1 210.296 1.694 20 0 BDADMP Cc1cnccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000228674069 386600510 /nfs/dbraw/zinc/60/05/10/386600510.db2.gz ISVAWCVFDLEFIJ-UHFFFAOYSA-N 2 1 233.359 1.966 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414805705 386607208 /nfs/dbraw/zinc/60/72/08/386607208.db2.gz MKLXDWBAKVTFQP-NWDGAFQWSA-N 2 1 214.353 1.374 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000357022163 386693046 /nfs/dbraw/zinc/69/30/46/386693046.db2.gz BDYDPROVVORJBG-LLVKDONJSA-N 2 1 240.372 1.860 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(C)(C)O ZINC000337281728 386698309 /nfs/dbraw/zinc/69/83/09/386698309.db2.gz WPLVSPTVNZEYPU-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000414828976 386700714 /nfs/dbraw/zinc/70/07/14/386700714.db2.gz LSGLMDOQXJGMOO-LBPRGKRZSA-N 2 1 206.333 1.817 20 0 BDADMP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000520580630 386702408 /nfs/dbraw/zinc/70/24/08/386702408.db2.gz DETYIIVKKQJZDB-NXEZZACHSA-N 2 1 238.335 1.535 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnn(C(C)C)c1 ZINC000414830289 386705123 /nfs/dbraw/zinc/70/51/23/386705123.db2.gz CAEPLWITSFTRLV-LLVKDONJSA-N 2 1 224.352 1.409 20 0 BDADMP CC[C@@H](COC)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830353 386705735 /nfs/dbraw/zinc/70/57/35/386705735.db2.gz AYFJCNCDVDTRLG-QWHCGFSZSA-N 2 1 228.380 1.909 20 0 BDADMP CO[C@]1(C)C[C@H]([N@@H+](C)CCOCC[NH3+])C1(C)C ZINC000357080465 386708280 /nfs/dbraw/zinc/70/82/80/386708280.db2.gz MIWHJIDWNDBMTM-WCQYABFASA-N 2 1 244.379 1.097 20 0 BDADMP C[NH2+]CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414837423 386736382 /nfs/dbraw/zinc/73/63/82/386736382.db2.gz XFSOJGXUKCAXKW-UHFFFAOYSA-N 2 1 233.359 1.464 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]1CCSC1 ZINC000414840568 386740102 /nfs/dbraw/zinc/74/01/02/386740102.db2.gz MLRHYQAXIMAKGU-WDEREUQCSA-N 2 1 216.394 1.703 20 0 BDADMP Cc1csc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000335542974 386725133 /nfs/dbraw/zinc/72/51/33/386725133.db2.gz JQLWBMKAYHREKU-ONGXEEELSA-N 2 1 239.388 1.929 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc2c1OCO2 ZINC000414843923 386766001 /nfs/dbraw/zinc/76/60/01/386766001.db2.gz QQQVUKRRMZLBAE-SNVBAGLBSA-N 2 1 236.315 1.360 20 0 BDADMP CC1(C)C[N@@H+](CCn2ccnc2)[C@@H]2COC[C@@H]21 ZINC000334634740 386767768 /nfs/dbraw/zinc/76/77/68/386767768.db2.gz OJUBODDLGVWDEA-NWDGAFQWSA-N 2 1 235.331 1.240 20 0 BDADMP CCn1nc(C)c(C[NH2+]C[C@H](C)C[NH2+]C)c1C ZINC000414839210 386742073 /nfs/dbraw/zinc/74/20/73/386742073.db2.gz LYHNLEODDHMNDF-SNVBAGLBSA-N 2 1 238.379 1.465 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000316625172 259696639 /nfs/dbraw/zinc/69/66/39/259696639.db2.gz SCSRSGMHLPTSDF-DRZSPHRISA-N 2 1 226.364 1.268 20 0 BDADMP C[C@H](C1CCC1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000325330952 386785876 /nfs/dbraw/zinc/78/58/76/386785876.db2.gz HKBMGRUNLQQSAP-RISCZKNCSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H](C1CCC1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000325330952 386785884 /nfs/dbraw/zinc/78/58/84/386785884.db2.gz HKBMGRUNLQQSAP-RISCZKNCSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H](C1CCC1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000325330952 386785889 /nfs/dbraw/zinc/78/58/89/386785889.db2.gz HKBMGRUNLQQSAP-RISCZKNCSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H](C1CCC1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000325330952 386785894 /nfs/dbraw/zinc/78/58/94/386785894.db2.gz HKBMGRUNLQQSAP-RISCZKNCSA-N 2 1 240.391 1.562 20 0 BDADMP Cc1nocc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000293433487 386816341 /nfs/dbraw/zinc/81/63/41/386816341.db2.gz BJPKIRSSVYZICT-JTQLQIEISA-N 2 1 248.330 1.914 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(F)(F)C[NH3+] ZINC000414935352 386806019 /nfs/dbraw/zinc/80/60/19/386806019.db2.gz VMYJUVHWFSPXDP-GHMZBOCLSA-N 2 1 249.349 1.481 20 0 BDADMP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000414935870 386827373 /nfs/dbraw/zinc/82/73/73/386827373.db2.gz UTIKIPYWKOLSDX-SWLSCSKDSA-N 2 1 247.386 1.910 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414847429 386834064 /nfs/dbraw/zinc/83/40/64/386834064.db2.gz VUYNYIHHKAKXDC-QWHCGFSZSA-N 2 1 227.396 1.339 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCOC2)C1)[C@H]1CC[NH2+]C1 ZINC000334783900 386842706 /nfs/dbraw/zinc/84/27/06/386842706.db2.gz DMSPJYNOFPQBCC-CHWSQXEVSA-N 2 1 224.348 1.098 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000417882547 386846856 /nfs/dbraw/zinc/84/68/56/386846856.db2.gz VKAAKDFIQQNYKR-LBPRGKRZSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)C[NH3+])CC1CCOCC1 ZINC000414942621 386891414 /nfs/dbraw/zinc/89/14/14/386891414.db2.gz KGXUSZRWDUQQEH-MNOVXSKESA-N 2 1 214.353 1.376 20 0 BDADMP C[C@H]1COc2ccccc2C[N@@H+]1CCC[NH3+] ZINC000334832654 386870892 /nfs/dbraw/zinc/87/08/92/386870892.db2.gz GURVMCARVGZRFF-NSHDSACASA-N 2 1 220.316 1.618 20 0 BDADMP C[C@H]1COc2ccccc2C[N@H+]1CCC[NH3+] ZINC000334832654 386870894 /nfs/dbraw/zinc/87/08/94/386870894.db2.gz GURVMCARVGZRFF-NSHDSACASA-N 2 1 220.316 1.618 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000334837942 386880078 /nfs/dbraw/zinc/88/00/78/386880078.db2.gz PQAPIXSVDKWUDG-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP [NH3+]C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000334841843 386885424 /nfs/dbraw/zinc/88/54/24/386885424.db2.gz WGILHLJNLKBKCJ-UHFFFAOYSA-N 2 1 230.315 1.486 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCN(C)CC2(C)C)CC[NH2+]1 ZINC000334853498 386905166 /nfs/dbraw/zinc/90/51/66/386905166.db2.gz DFCHGAFCIVIHLL-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358265395 386923670 /nfs/dbraw/zinc/92/36/70/386923670.db2.gz ZUZLJGGHBAKSTJ-LSDHHAIUSA-N 2 1 248.370 1.794 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358265395 386923678 /nfs/dbraw/zinc/92/36/78/386923678.db2.gz ZUZLJGGHBAKSTJ-LSDHHAIUSA-N 2 1 248.370 1.794 20 0 BDADMP C[N@@H+](Cc1cccc2c[nH]nc21)C1CC([NH3+])C1 ZINC000334867444 386926422 /nfs/dbraw/zinc/92/64/22/386926422.db2.gz FQPZCIURCUVEPN-UHFFFAOYSA-N 2 1 230.315 1.484 20 0 BDADMP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000334868009 386926518 /nfs/dbraw/zinc/92/65/18/386926518.db2.gz HRDOWPLCXBHMJQ-ZIAGYGMSSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000334868009 386926523 /nfs/dbraw/zinc/92/65/23/386926523.db2.gz HRDOWPLCXBHMJQ-ZIAGYGMSSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(O)cc(F)c2)CC[NH2+]1 ZINC000334871094 386930410 /nfs/dbraw/zinc/93/04/10/386930410.db2.gz XVBPQLZREIEDHQ-SKDRFNHKSA-N 2 1 238.306 1.761 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000334822896 386953037 /nfs/dbraw/zinc/95/30/37/386953037.db2.gz YQAQXLBEEUGCDY-GXSJLCMTSA-N 2 1 222.336 1.135 20 0 BDADMP C[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)c1cncc(F)c1 ZINC000358411397 386953072 /nfs/dbraw/zinc/95/30/72/386953072.db2.gz XGHMOOHSNPGYNZ-NRUUGDAUSA-N 2 1 237.322 1.821 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000162188048 386948659 /nfs/dbraw/zinc/94/86/59/386948659.db2.gz ZRXCTXRPLBVRIS-JQWIXIFHSA-N 2 1 205.305 1.251 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000216070467 387030940 /nfs/dbraw/zinc/03/09/40/387030940.db2.gz PZIYGENJNIOVTP-QWRGUYRKSA-N 2 1 235.331 1.265 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCOC1 ZINC000398993915 387035085 /nfs/dbraw/zinc/03/50/85/387035085.db2.gz QLENBNDODMFPFZ-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000070074073 387043648 /nfs/dbraw/zinc/04/36/48/387043648.db2.gz JQYPQVFRPGNRAI-CYBMUJFWSA-N 2 1 219.332 1.785 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H]2CCC[C@@H]21 ZINC000417411847 387046607 /nfs/dbraw/zinc/04/66/07/387046607.db2.gz WXINJUWGHVYFDL-DGTMBMJNSA-N 2 1 238.375 1.362 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000333771240 387053705 /nfs/dbraw/zinc/05/37/05/387053705.db2.gz CASJQRKGSUMHDH-NOZJJQNGSA-N 2 1 237.347 1.769 20 0 BDADMP C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@H]1CCCC[NH2+]1 ZINC000333344072 387028871 /nfs/dbraw/zinc/02/88/71/387028871.db2.gz YTPWISBWASLALW-WCFLWFBJSA-N 2 1 248.374 1.387 20 0 BDADMP CC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766715 387070025 /nfs/dbraw/zinc/07/00/25/387070025.db2.gz OLKZROSAKHJZHS-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766715 387070029 /nfs/dbraw/zinc/07/00/29/387070029.db2.gz OLKZROSAKHJZHS-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334984437 387071772 /nfs/dbraw/zinc/07/17/72/387071772.db2.gz ZBXQABDROGEMPI-WCQYABFASA-N 2 1 235.331 1.639 20 0 BDADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334984437 387071777 /nfs/dbraw/zinc/07/17/77/387071777.db2.gz ZBXQABDROGEMPI-WCQYABFASA-N 2 1 235.331 1.639 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000111380886 387077700 /nfs/dbraw/zinc/07/77/00/387077700.db2.gz ONRBDRUNBOBSPW-CQSZACIVSA-N 2 1 233.359 1.827 20 0 BDADMP FC(F)COCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188769555 387080500 /nfs/dbraw/zinc/08/05/00/387080500.db2.gz ZKVVTZIVFIKGFA-WDEREUQCSA-N 2 1 248.317 1.485 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000111695586 387085170 /nfs/dbraw/zinc/08/51/70/387085170.db2.gz RXVCTGGENBYTOL-OCCSQVGLSA-N 2 1 233.359 1.683 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccco1 ZINC000335024438 387116488 /nfs/dbraw/zinc/11/64/88/387116488.db2.gz NIXDTSJVHNSWCW-PWSUYJOCSA-N 2 1 208.305 1.757 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000423298875 387130148 /nfs/dbraw/zinc/13/01/48/387130148.db2.gz PBLZOVWFHYUUPX-BFHYXJOUSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423305707 387142349 /nfs/dbraw/zinc/14/23/49/387142349.db2.gz CIPPMMLKEVAPBU-MROQNXINSA-N 2 1 225.380 1.057 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C12CCC2 ZINC000423318173 387159897 /nfs/dbraw/zinc/15/98/97/387159897.db2.gz CTYOPRYSXAKACQ-OUAUKWLOSA-N 2 1 212.337 1.271 20 0 BDADMP CC[N@@H+]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000423320054 387160747 /nfs/dbraw/zinc/16/07/47/387160747.db2.gz FAGOLIYDXYXDOG-IHRRRGAJSA-N 2 1 239.407 1.306 20 0 BDADMP CCN1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000423320054 387160751 /nfs/dbraw/zinc/16/07/51/387160751.db2.gz FAGOLIYDXYXDOG-IHRRRGAJSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H]1C[C@H](NCC2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000423321344 387165680 /nfs/dbraw/zinc/16/56/80/387165680.db2.gz HISYTJULTXJXFS-QWRGUYRKSA-N 2 1 223.364 1.083 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)CN1C1CC1 ZINC000423321344 387165685 /nfs/dbraw/zinc/16/56/85/387165685.db2.gz HISYTJULTXJXFS-QWRGUYRKSA-N 2 1 223.364 1.083 20 0 BDADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)OCO2 ZINC000423327428 387169987 /nfs/dbraw/zinc/16/99/87/387169987.db2.gz RMAYXWSKINUQSK-JOYOIKCWSA-N 2 1 248.326 1.803 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000423328390 387170760 /nfs/dbraw/zinc/17/07/60/387170760.db2.gz DNTNQJYBNABPAV-MJBXVCDLSA-N 3 1 239.407 1.483 20 0 BDADMP C[N@H+](Cc1cccc(N)c1)[C@H](C[NH3+])C1CC1 ZINC000359881953 387184307 /nfs/dbraw/zinc/18/43/07/387184307.db2.gz RQPIXGBCXLWNTP-CYBMUJFWSA-N 2 1 219.332 1.438 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)[C@H](C[NH3+])C1CC1 ZINC000359881953 387184313 /nfs/dbraw/zinc/18/43/13/387184313.db2.gz RQPIXGBCXLWNTP-CYBMUJFWSA-N 2 1 219.332 1.438 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000229604970 387186031 /nfs/dbraw/zinc/18/60/31/387186031.db2.gz YDXQNUHJVIDENL-IUCAKERBSA-N 2 1 240.269 1.453 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423338425 387187323 /nfs/dbraw/zinc/18/73/23/387187323.db2.gz ZDVCWJHMBZTRNZ-RYUDHWBXSA-N 2 1 234.347 1.124 20 0 BDADMP CCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371302001 387189213 /nfs/dbraw/zinc/18/92/13/387189213.db2.gz XGVPZUJKJLHMQC-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccn(C)n1 ZINC000423304089 387136453 /nfs/dbraw/zinc/13/64/53/387136453.db2.gz JUFDMKIJVKXRDI-VHSXEESVSA-N 2 1 210.325 1.056 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423354116 387205739 /nfs/dbraw/zinc/20/57/39/387205739.db2.gz CORVMZIDVGAEQO-NWDGAFQWSA-N 2 1 219.332 1.874 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423355242 387205950 /nfs/dbraw/zinc/20/59/50/387205950.db2.gz OSCOZKKZHSHQAL-QLFBSQMISA-N 3 1 249.402 1.369 20 0 BDADMP CN1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423355242 387205952 /nfs/dbraw/zinc/20/59/52/387205952.db2.gz OSCOZKKZHSHQAL-QLFBSQMISA-N 2 1 249.402 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423357018 387207825 /nfs/dbraw/zinc/20/78/25/387207825.db2.gz RRBPXCMVZSBHDW-AAEUAGOBSA-N 3 1 223.364 1.026 20 0 BDADMP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000423357018 387207830 /nfs/dbraw/zinc/20/78/30/387207830.db2.gz RRBPXCMVZSBHDW-AAEUAGOBSA-N 2 1 223.364 1.026 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(C2CC2)CC1 ZINC000423355585 387208291 /nfs/dbraw/zinc/20/82/91/387208291.db2.gz IHLSXABTWPPAMS-GFCCVEGCSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289285923 387210597 /nfs/dbraw/zinc/21/05/97/387210597.db2.gz ALBJAAJREBUIDA-IUODEOHRSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289285923 387210600 /nfs/dbraw/zinc/21/06/00/387210600.db2.gz ALBJAAJREBUIDA-IUODEOHRSA-N 2 1 248.370 1.792 20 0 BDADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423426247 387252738 /nfs/dbraw/zinc/25/27/38/387252738.db2.gz HMNNWGISNLELPM-ZZVYKPCYSA-N 2 1 216.328 1.863 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000300424442 387211356 /nfs/dbraw/zinc/21/13/56/387211356.db2.gz TXPMSMVGWISGFH-VXGBXAGGSA-N 2 1 243.395 1.064 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000423361807 387213970 /nfs/dbraw/zinc/21/39/70/387213970.db2.gz MQKMEEDAUFEYPU-DGCLKSJQSA-N 2 1 236.363 1.696 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353500034 387215001 /nfs/dbraw/zinc/21/50/01/387215001.db2.gz VRJUGGLHNSNIRM-XJFOESAGSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365928 387217669 /nfs/dbraw/zinc/21/76/69/387217669.db2.gz CFFKMOJDJLFMHK-FMCLSXCISA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365928 387217675 /nfs/dbraw/zinc/21/76/75/387217675.db2.gz CFFKMOJDJLFMHK-FMCLSXCISA-N 2 1 237.391 1.199 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423367499 387219318 /nfs/dbraw/zinc/21/93/18/387219318.db2.gz MOZVWDVCUJLKKF-SRVKXCTJSA-N 2 1 236.363 1.824 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423367793 387221980 /nfs/dbraw/zinc/22/19/80/387221980.db2.gz RKPKLHJBXHHITC-RQJABVFESA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367793 387221981 /nfs/dbraw/zinc/22/19/81/387221981.db2.gz RKPKLHJBXHHITC-RQJABVFESA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367793 387221982 /nfs/dbraw/zinc/22/19/82/387221982.db2.gz RKPKLHJBXHHITC-RQJABVFESA-N 3 1 239.407 1.447 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C12CCCC2 ZINC000423368588 387222100 /nfs/dbraw/zinc/22/21/00/387222100.db2.gz NJLTZGNLRMHOSQ-TUAOUCFPSA-N 2 1 226.364 1.661 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H](COC)C1CCCC1 ZINC000423370458 387223835 /nfs/dbraw/zinc/22/38/35/387223835.db2.gz DMFBORHIXZJNJE-YPMHNXCESA-N 2 1 228.380 1.779 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000360149790 387234115 /nfs/dbraw/zinc/23/41/15/387234115.db2.gz JRLTWVHJJXFDCN-GFCCVEGCSA-N 2 1 248.374 1.482 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400867 387234836 /nfs/dbraw/zinc/23/48/36/387234836.db2.gz QKXDZTYNQIFCDV-XWUBHJNHSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423400867 387234840 /nfs/dbraw/zinc/23/48/40/387234840.db2.gz QKXDZTYNQIFCDV-XWUBHJNHSA-N 2 1 237.391 1.057 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cnn(C)c1 ZINC000423405588 387240099 /nfs/dbraw/zinc/24/00/99/387240099.db2.gz ZUVKOLCESQWBNC-DRZSPHRISA-N 2 1 236.363 1.601 20 0 BDADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423407585 387243233 /nfs/dbraw/zinc/24/32/33/387243233.db2.gz WAWUPMYZFMMCIJ-GMXVVIOVSA-N 2 1 222.332 1.699 20 0 BDADMP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1c[nH+]ccc1N ZINC000423346199 387195902 /nfs/dbraw/zinc/19/59/02/387195902.db2.gz ZMCVGCYXJKWOIC-LLVKDONJSA-N 3 1 248.374 1.534 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(F)F)CC[N@H+]1C ZINC000423467221 387315685 /nfs/dbraw/zinc/31/56/85/387315685.db2.gz DIGOQQMMMBLXTR-MXWKQRLJSA-N 2 1 247.333 1.056 20 0 BDADMP CO[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)CC[C@@H]1C ZINC000230310901 387259227 /nfs/dbraw/zinc/25/92/27/387259227.db2.gz XEHDDTCYRCLPHF-RWMBFGLXSA-N 2 1 228.380 1.717 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)CC[C@@H]1C ZINC000230310901 387259230 /nfs/dbraw/zinc/25/92/30/387259230.db2.gz XEHDDTCYRCLPHF-RWMBFGLXSA-N 2 1 228.380 1.717 20 0 BDADMP COCC1CCC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000423380244 387261818 /nfs/dbraw/zinc/26/18/18/387261818.db2.gz NLZXMYLYHCQJFW-BLYZHGLHSA-N 2 1 240.391 1.922 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000352494771 387262664 /nfs/dbraw/zinc/26/26/64/387262664.db2.gz FOUJJUBAVYMRFI-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423382987 387264256 /nfs/dbraw/zinc/26/42/56/387264256.db2.gz OYNGGDVOYOWKMR-UTUOFQBUSA-N 2 1 213.369 1.057 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423391471 387276624 /nfs/dbraw/zinc/27/66/24/387276624.db2.gz PMISUJXWHTXCJD-NEPJUHHUSA-N 3 1 227.396 1.482 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423391035 387276778 /nfs/dbraw/zinc/27/67/78/387276778.db2.gz PAQPMOCZZHZPSW-XJFOESAGSA-N 2 1 239.407 1.447 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000423396014 387281210 /nfs/dbraw/zinc/28/12/10/387281210.db2.gz SWPWMQCLRFBKOH-CHWFTXMASA-N 2 1 200.326 1.140 20 0 BDADMP CN(C)c1cc(NC(=O)CC2(C[NH3+])CC2)cc[nH+]1 ZINC000423432533 387283446 /nfs/dbraw/zinc/28/34/46/387283446.db2.gz MKXIVONPDDMOEA-UHFFFAOYSA-N 2 1 248.330 1.215 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423442243 387293279 /nfs/dbraw/zinc/29/32/79/387293279.db2.gz JSFPJCWXXQVSAN-MXWKQRLJSA-N 2 1 222.332 1.565 20 0 BDADMP COc1cccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423444654 387294328 /nfs/dbraw/zinc/29/43/28/387294328.db2.gz WYNUIHSDEBCPNM-QQUHWDOBSA-N 2 1 232.327 1.564 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc2ncccc2c1 ZINC000162048779 387300452 /nfs/dbraw/zinc/30/04/52/387300452.db2.gz SIPVRLFWDYOWLK-JTQLQIEISA-N 2 1 215.300 1.672 20 0 BDADMP COCC(C)(C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000514870035 387305272 /nfs/dbraw/zinc/30/52/72/387305272.db2.gz GPSHHPMHKCRIPO-UHFFFAOYSA-N 2 1 239.363 1.710 20 0 BDADMP COCC(C)(C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000514870035 387305276 /nfs/dbraw/zinc/30/52/76/387305276.db2.gz GPSHHPMHKCRIPO-UHFFFAOYSA-N 2 1 239.363 1.710 20 0 BDADMP C[N@@H+](Cc1cc[nH]c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372547793 387308892 /nfs/dbraw/zinc/30/88/92/387308892.db2.gz ZAPVRXCCGUDJBA-CYBMUJFWSA-N 2 1 244.342 1.906 20 0 BDADMP C[N@H+](Cc1cc[nH]c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372547793 387308895 /nfs/dbraw/zinc/30/88/95/387308895.db2.gz ZAPVRXCCGUDJBA-CYBMUJFWSA-N 2 1 244.342 1.906 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCOCC1 ZINC000423527267 387356246 /nfs/dbraw/zinc/35/62/46/387356246.db2.gz MECIFFBRTJTLGE-SMDDNHRTSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1C ZINC000423532936 387358005 /nfs/dbraw/zinc/35/80/05/387358005.db2.gz SDNCKAHMPLRZGQ-MRVWCRGKSA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000515305618 387360832 /nfs/dbraw/zinc/36/08/32/387360832.db2.gz CEBUMBFIBUJULP-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H](NCCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423536058 387362012 /nfs/dbraw/zinc/36/20/12/387362012.db2.gz GISGBXCANGHSGD-AAEUAGOBSA-N 2 1 223.364 1.026 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423553662 387373142 /nfs/dbraw/zinc/37/31/42/387373142.db2.gz KQNYHZJUQCXYLN-FRRDWIJNSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423498739 387341412 /nfs/dbraw/zinc/34/14/12/387341412.db2.gz BYAOFMLVPVPVJY-NEPJUHHUSA-N 2 1 227.396 1.304 20 0 BDADMP COC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423501952 387343804 /nfs/dbraw/zinc/34/38/04/387343804.db2.gz LQCDDXZHNRPVGR-CHWSQXEVSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]1CN([C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423516342 387351076 /nfs/dbraw/zinc/35/10/76/387351076.db2.gz WPEGXRKVEWMARA-AAVRWANBSA-N 3 1 239.407 1.243 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCC[C@H]1O ZINC000352699401 387443487 /nfs/dbraw/zinc/44/34/87/387443487.db2.gz QRINWZYJSIESRI-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCC[C@H]1O ZINC000352699401 387443488 /nfs/dbraw/zinc/44/34/88/387443488.db2.gz QRINWZYJSIESRI-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCC[C@H]1O ZINC000352699401 387443490 /nfs/dbraw/zinc/44/34/90/387443490.db2.gz QRINWZYJSIESRI-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336562050 387388973 /nfs/dbraw/zinc/38/89/73/387388973.db2.gz XJYYLGADNWCFJI-STQMWFEESA-N 2 1 231.343 1.310 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000162430547 387389013 /nfs/dbraw/zinc/38/90/13/387389013.db2.gz TZPLNBZKGADAKJ-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000162430547 387389018 /nfs/dbraw/zinc/38/90/18/387389018.db2.gz TZPLNBZKGADAKJ-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000336562047 387390252 /nfs/dbraw/zinc/39/02/52/387390252.db2.gz XJYYLGADNWCFJI-CHWSQXEVSA-N 2 1 231.343 1.310 20 0 BDADMP C[NH+](C)CCC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000121633312 387390855 /nfs/dbraw/zinc/39/08/55/387390855.db2.gz NRXIEGTXNAGWOL-UHFFFAOYSA-N 2 1 236.363 1.573 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000423770403 387420794 /nfs/dbraw/zinc/42/07/94/387420794.db2.gz HKDIGEMHYABWTE-TUAOUCFPSA-N 2 1 243.395 1.206 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122322991 387514408 /nfs/dbraw/zinc/51/44/08/387514408.db2.gz XEZYKXFAZSAPEV-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396925139 387516103 /nfs/dbraw/zinc/51/61/03/387516103.db2.gz USFCZQXBWNNBAT-NSHDSACASA-N 2 1 223.320 1.349 20 0 BDADMP C[C@H](c1ccncn1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000396042990 387524635 /nfs/dbraw/zinc/52/46/35/387524635.db2.gz RPPOGEMCCASLRW-NQBHXWOUSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@H](c1ccncn1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000396042990 387524639 /nfs/dbraw/zinc/52/46/39/387524639.db2.gz RPPOGEMCCASLRW-NQBHXWOUSA-N 2 1 234.347 1.454 20 0 BDADMP COc1ccccc1CNC[C@@H]1CCC[N@@H+]1C ZINC000107787847 387528676 /nfs/dbraw/zinc/52/86/76/387528676.db2.gz BIYLVFFBRGKBGN-ZDUSSCGKSA-N 2 1 234.343 1.879 20 0 BDADMP COc1ccccc1CNC[C@@H]1CCC[N@H+]1C ZINC000107787847 387528680 /nfs/dbraw/zinc/52/86/80/387528680.db2.gz BIYLVFFBRGKBGN-ZDUSSCGKSA-N 2 1 234.343 1.879 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192766658 387536721 /nfs/dbraw/zinc/53/67/21/387536721.db2.gz BHGUNCJDHYMXCJ-YRGRVCCFSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000192766658 387536725 /nfs/dbraw/zinc/53/67/25/387536725.db2.gz BHGUNCJDHYMXCJ-YRGRVCCFSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000192766658 387536727 /nfs/dbraw/zinc/53/67/27/387536727.db2.gz BHGUNCJDHYMXCJ-YRGRVCCFSA-N 2 1 238.375 1.316 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000361804914 387537082 /nfs/dbraw/zinc/53/70/82/387537082.db2.gz PLKFJIIBWCYJEB-FRRDWIJNSA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCOC1 ZINC000310198563 387537049 /nfs/dbraw/zinc/53/70/49/387537049.db2.gz ZXQISERLTVHSQC-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCOC1 ZINC000310198563 387537052 /nfs/dbraw/zinc/53/70/52/387537052.db2.gz ZXQISERLTVHSQC-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643507648 387479913 /nfs/dbraw/zinc/47/99/13/387479913.db2.gz LOKOKGHYACVENW-NWDGAFQWSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)O1 ZINC000396708290 387483189 /nfs/dbraw/zinc/48/31/89/387483189.db2.gz OHPGQPVGAYPZDV-OOCWMUITSA-N 2 1 212.337 1.282 20 0 BDADMP CC(C)[C@@H](N)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643511627 387593668 /nfs/dbraw/zinc/59/36/68/387593668.db2.gz PLOALQUSLJYSNK-AAEUAGOBSA-N 2 1 227.396 1.290 20 0 BDADMP CC[N@H+](CCO)CCCCn1cc[nH+]c1C ZINC000305699741 387628655 /nfs/dbraw/zinc/62/86/55/387628655.db2.gz VWYYTEXHVBLORX-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP CC[N@@H+](CCO)CCCCn1cc[nH+]c1C ZINC000305699741 387628660 /nfs/dbraw/zinc/62/86/60/387628660.db2.gz VWYYTEXHVBLORX-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP CCC(N)(CC)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643513488 387597959 /nfs/dbraw/zinc/59/79/59/387597959.db2.gz CNTCSLDJVBCQAG-LBPRGKRZSA-N 2 1 241.423 1.824 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1c[nH]nc1C ZINC000643513656 387597996 /nfs/dbraw/zinc/59/79/96/387597996.db2.gz WVFGYIOJSFRLOG-SECBINFHSA-N 2 1 224.352 1.886 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643514291 387599118 /nfs/dbraw/zinc/59/91/18/387599118.db2.gz DGEPXSWBWWOFMT-GXTWGEPZSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000422635894 387610069 /nfs/dbraw/zinc/61/00/69/387610069.db2.gz LZXJLNXFNIIXIB-YRGRVCCFSA-N 2 1 240.391 1.718 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422700640 387616203 /nfs/dbraw/zinc/61/62/03/387616203.db2.gz AMYRHQHBHRGFHV-KGYLQXTDSA-N 2 1 228.380 1.371 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCCO1)[C@H]1CCCC[NH2+]1 ZINC000422699705 387616330 /nfs/dbraw/zinc/61/63/30/387616330.db2.gz DWJPACUSQAXIRU-JHJVBQTASA-N 2 1 226.364 1.676 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422702981 387617456 /nfs/dbraw/zinc/61/74/56/387617456.db2.gz LZSOHIGRMMKWBQ-UWVGGRQHSA-N 2 1 223.320 1.427 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422702983 387619193 /nfs/dbraw/zinc/61/91/93/387619193.db2.gz LZSOHIGRMMKWBQ-ZJUUUORDSA-N 2 1 223.320 1.427 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422706224 387619902 /nfs/dbraw/zinc/61/99/02/387619902.db2.gz TWZTWHWEIOOMEY-KWCYVHTRSA-N 2 1 240.391 1.515 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422707203 387620621 /nfs/dbraw/zinc/62/06/21/387620621.db2.gz GSTHYIVRRXRSJG-KGLIPLIRSA-N 2 1 241.423 1.696 20 0 BDADMP CCCCN(C)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422707203 387620623 /nfs/dbraw/zinc/62/06/23/387620623.db2.gz GSTHYIVRRXRSJG-KGLIPLIRSA-N 2 1 241.423 1.696 20 0 BDADMP CC[C@H]([NH2+]CCc1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000422710181 387623704 /nfs/dbraw/zinc/62/37/04/387623704.db2.gz FENOQNDSBXORDG-STQMWFEESA-N 2 1 236.363 1.083 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000430537811 387625209 /nfs/dbraw/zinc/62/52/09/387625209.db2.gz HXSOEDTZCCEANX-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422711396 387626127 /nfs/dbraw/zinc/62/61/27/387626127.db2.gz NBAPKSXJPDGYKY-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP Cc1ccc(CC[N@@H+]2CCC[C@H]2CN)cc1 ZINC000430556079 387627225 /nfs/dbraw/zinc/62/72/25/387627225.db2.gz TWQHFQVCTSONBY-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccc(CC[N@H+]2CCC[C@H]2CN)cc1 ZINC000430556079 387627228 /nfs/dbraw/zinc/62/72/28/387627228.db2.gz TWQHFQVCTSONBY-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccc(CC[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000430556079 387627232 /nfs/dbraw/zinc/62/72/32/387627232.db2.gz TWQHFQVCTSONBY-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccc(CC[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000430556079 387627233 /nfs/dbraw/zinc/62/72/33/387627233.db2.gz TWQHFQVCTSONBY-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP CN(CC[NH2+][C@@](C)(C[NH3+])C1CC1)c1ccccc1 ZINC000430548001 387627338 /nfs/dbraw/zinc/62/73/38/387627338.db2.gz LUTZYNJUBXYTGF-HNNXBMFYSA-N 2 1 247.386 1.840 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)O ZINC000305146254 387563715 /nfs/dbraw/zinc/56/37/15/387563715.db2.gz YGPKOPFHJJHPTM-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000305146254 387563720 /nfs/dbraw/zinc/56/37/20/387563720.db2.gz YGPKOPFHJJHPTM-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000305146254 387563725 /nfs/dbraw/zinc/56/37/25/387563725.db2.gz YGPKOPFHJJHPTM-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP COCC(C)(C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000426398785 387564646 /nfs/dbraw/zinc/56/46/46/387564646.db2.gz YMDIKJGKYAULRS-ZDUSSCGKSA-N 2 1 242.407 1.933 20 0 BDADMP COCC(C)(C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000426398785 387564650 /nfs/dbraw/zinc/56/46/50/387564650.db2.gz YMDIKJGKYAULRS-ZDUSSCGKSA-N 2 1 242.407 1.933 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000037893478 387567090 /nfs/dbraw/zinc/56/70/90/387567090.db2.gz ZATOUHJBVNDHQA-ZFWWWQNUSA-N 2 1 248.370 1.576 20 0 BDADMP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422721620 387634347 /nfs/dbraw/zinc/63/43/47/387634347.db2.gz VVCFBPMYIRYRKJ-KBPBESRZSA-N 2 1 233.359 1.722 20 0 BDADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000430699324 387639683 /nfs/dbraw/zinc/63/96/83/387639683.db2.gz YGRRZVCJEGBNPM-DGAVXFQQSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H](O)[C@H]1CCCC[N@H+]1CCCn1ccnc1 ZINC000305757027 387646827 /nfs/dbraw/zinc/64/68/27/387646827.db2.gz AQFKBVGVECTVEC-CHWSQXEVSA-N 2 1 237.347 1.509 20 0 BDADMP C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000422741495 387647730 /nfs/dbraw/zinc/64/77/30/387647730.db2.gz ONNBQKKKQUOKAJ-BZPMIXESSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422746146 387649949 /nfs/dbraw/zinc/64/99/49/387649949.db2.gz VZYODZUUPXZBKQ-YRGRVCCFSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422746146 387649953 /nfs/dbraw/zinc/64/99/53/387649953.db2.gz VZYODZUUPXZBKQ-YRGRVCCFSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430918482 387661132 /nfs/dbraw/zinc/66/11/32/387661132.db2.gz NEJRHVROUONIPJ-HIFRSBDPSA-N 2 1 247.386 1.792 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000422758805 387661959 /nfs/dbraw/zinc/66/19/59/387661959.db2.gz JZFONUKJWVAJPA-JHJVBQTASA-N 2 1 242.407 1.904 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422764125 387664683 /nfs/dbraw/zinc/66/46/83/387664683.db2.gz UOBKQQRAOVDZPV-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422767329 387667597 /nfs/dbraw/zinc/66/75/97/387667597.db2.gz RXOSYKAKWXWRMD-LSDHHAIUSA-N 2 1 247.386 1.588 20 0 BDADMP CN(CC[NH2+][C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422767329 387667602 /nfs/dbraw/zinc/66/76/02/387667602.db2.gz RXOSYKAKWXWRMD-LSDHHAIUSA-N 2 1 247.386 1.588 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400757579 387668240 /nfs/dbraw/zinc/66/82/40/387668240.db2.gz XLQNYODLPBOUSB-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000305947042 387668886 /nfs/dbraw/zinc/66/88/86/387668886.db2.gz GVJZDFHBGNTDQC-RYUDHWBXSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422774424 387671856 /nfs/dbraw/zinc/67/18/56/387671856.db2.gz WZFWKUGDTYCBDS-HZSPNIEDSA-N 2 1 239.407 1.720 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422782430 387680298 /nfs/dbraw/zinc/68/02/98/387680298.db2.gz MYHGBYHMHHSKSK-QJPTWQEYSA-N 2 1 214.353 1.124 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422742841 387691157 /nfs/dbraw/zinc/69/11/57/387691157.db2.gz QTNLCCUISWUGEA-OLZOCXBDSA-N 2 1 220.316 1.148 20 0 BDADMP CCOCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363117232 387691743 /nfs/dbraw/zinc/69/17/43/387691743.db2.gz FQXVXIRHLHFFRH-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363117232 387691749 /nfs/dbraw/zinc/69/17/49/387691749.db2.gz FQXVXIRHLHFFRH-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363117232 387691752 /nfs/dbraw/zinc/69/17/52/387691752.db2.gz FQXVXIRHLHFFRH-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCC2 ZINC000422790756 387692373 /nfs/dbraw/zinc/69/23/73/387692373.db2.gz XUVFNLYPMKQYQT-IJLUTSLNSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCOC1 ZINC000356902899 387743370 /nfs/dbraw/zinc/74/33/70/387743370.db2.gz RVJJALCLYXCDIZ-GXTWGEPZSA-N 2 1 238.375 1.653 20 0 BDADMP C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422862918 387743865 /nfs/dbraw/zinc/74/38/65/387743865.db2.gz OFAPJCXSGMWNMR-YIYPIFLZSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](CN[C@@H](C)C1C[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000422860302 387744224 /nfs/dbraw/zinc/74/42/24/387744224.db2.gz LIWCHEHGOKFIAX-UPJWGTAASA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000422863804 387746607 /nfs/dbraw/zinc/74/66/07/387746607.db2.gz MBHYSJFDLURPIO-UHXUPSOCSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CN1C1CC1 ZINC000422863804 387746613 /nfs/dbraw/zinc/74/66/13/387746613.db2.gz MBHYSJFDLURPIO-UHXUPSOCSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422864851 387746749 /nfs/dbraw/zinc/74/67/49/387746749.db2.gz WMCXWQYLFNHDIO-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000422879386 387756355 /nfs/dbraw/zinc/75/63/55/387756355.db2.gz VFEKERFUYKHPSW-OUAUKWLOSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1C1CC1 ZINC000422871873 387750926 /nfs/dbraw/zinc/75/09/26/387750926.db2.gz ZXQXANVCUAXFRP-UHXUPSOCSA-N 2 1 237.391 1.199 20 0 BDADMP CC[N@@H+](CCN[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422876907 387756435 /nfs/dbraw/zinc/75/64/35/387756435.db2.gz GRKZTBBYPVUQPH-GHMZBOCLSA-N 2 1 213.369 1.186 20 0 BDADMP CCN(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422876907 387756439 /nfs/dbraw/zinc/75/64/39/387756439.db2.gz GRKZTBBYPVUQPH-GHMZBOCLSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000422800582 387698618 /nfs/dbraw/zinc/69/86/18/387698618.db2.gz CIRVWQUBLUYGDD-MRVPVSSYSA-N 2 1 226.270 1.662 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000422796371 387700506 /nfs/dbraw/zinc/70/05/06/387700506.db2.gz JEKQIWGGQYENJV-KBPBESRZSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422802690 387702459 /nfs/dbraw/zinc/70/24/59/387702459.db2.gz BSGKIDMWPWDWQU-CHWSQXEVSA-N 2 1 240.391 1.517 20 0 BDADMP C(CN1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422806975 387704193 /nfs/dbraw/zinc/70/41/93/387704193.db2.gz JESFSVZGRLDSAC-PBWFPOADSA-N 2 1 237.391 1.345 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000422805745 387705911 /nfs/dbraw/zinc/70/59/11/387705911.db2.gz HHTYTDZCYACAHY-SDDRHHMPSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000422805857 387706303 /nfs/dbraw/zinc/70/63/03/387706303.db2.gz JVWYGNSAJIBQFM-BNOWGMLFSA-N 2 1 246.354 1.720 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCCCC1 ZINC000422807944 387706655 /nfs/dbraw/zinc/70/66/55/387706655.db2.gz KMVOJYZAPRRCEE-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000422808609 387708990 /nfs/dbraw/zinc/70/89/90/387708990.db2.gz LDTBMKKEYCHHMT-JHJVBQTASA-N 2 1 234.347 1.318 20 0 BDADMP CCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCOCC1 ZINC000422813822 387710736 /nfs/dbraw/zinc/71/07/36/387710736.db2.gz SMKYPPBQMYRRQV-OLZOCXBDSA-N 2 1 240.391 1.781 20 0 BDADMP CC(C)CN1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422818417 387713329 /nfs/dbraw/zinc/71/33/29/387713329.db2.gz KKYUPWCODLHLGE-ZDUSSCGKSA-N 2 1 241.423 1.824 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422818303 387713740 /nfs/dbraw/zinc/71/37/40/387713740.db2.gz GBAFMISQXBYMMS-STQMWFEESA-N 2 1 227.396 1.306 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422814785 387715124 /nfs/dbraw/zinc/71/51/24/387715124.db2.gz WBMPQYICCJVQIP-ZIAGYGMSSA-N 2 1 239.407 1.722 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422814676 387715161 /nfs/dbraw/zinc/71/51/61/387715161.db2.gz VWLMGXNAVRDEHA-STQMWFEESA-N 2 1 242.407 1.763 20 0 BDADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000422821576 387717915 /nfs/dbraw/zinc/71/79/15/387717915.db2.gz XDHXDNYZFONJJY-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422878976 387755462 /nfs/dbraw/zinc/75/54/62/387755462.db2.gz LPEDEWGNDTXWPK-KGLIPLIRSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422826223 387719525 /nfs/dbraw/zinc/71/95/25/387719525.db2.gz BWYITTKGILZKKP-MBNYWOFBSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]([NH2+]CCc1cccnc1)c1c[nH+]ccc1N ZINC000422824696 387719862 /nfs/dbraw/zinc/71/98/62/387719862.db2.gz HWOMTAGSPWEKME-LLVKDONJSA-N 2 1 242.326 1.782 20 0 BDADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422826222 387720759 /nfs/dbraw/zinc/72/07/59/387720759.db2.gz BWYITTKGILZKKP-DYEKYZERSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@@H]([NH2+]CCc1nccs1)[C@@H]1CCC[NH2+]1 ZINC000422828800 387724394 /nfs/dbraw/zinc/72/43/94/387724394.db2.gz BHMOZIUSIUUGLT-MNOVXSKESA-N 2 1 239.388 1.806 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422832549 387726311 /nfs/dbraw/zinc/72/63/11/387726311.db2.gz XYAMMMLXJOCLHO-KBPBESRZSA-N 2 1 241.423 1.696 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422832552 387726862 /nfs/dbraw/zinc/72/68/62/387726862.db2.gz XYAMMMLXJOCLHO-ZIAGYGMSSA-N 2 1 241.423 1.696 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000422855563 387737083 /nfs/dbraw/zinc/73/70/83/387737083.db2.gz FCWKSFFXUFLEFR-HZSPNIEDSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422855563 387737084 /nfs/dbraw/zinc/73/70/84/387737084.db2.gz FCWKSFFXUFLEFR-HZSPNIEDSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422852747 387738877 /nfs/dbraw/zinc/73/88/77/387738877.db2.gz BFANLPIPXZVKEX-RFGFWPKPSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 ZINC000422852747 387738881 /nfs/dbraw/zinc/73/88/81/387738881.db2.gz BFANLPIPXZVKEX-RFGFWPKPSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000643526067 387756150 /nfs/dbraw/zinc/75/61/50/387756150.db2.gz OPHSHPHCKBJTJY-RYUDHWBXSA-N 2 1 244.342 1.870 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000643527928 387763852 /nfs/dbraw/zinc/76/38/52/387763852.db2.gz VRVRVUVNEUDXDE-MFKMUULPSA-N 2 1 219.332 1.860 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422891858 387764300 /nfs/dbraw/zinc/76/43/00/387764300.db2.gz LSMIPFYZUJJMFM-VHSXEESVSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1C[NH2+]C1 ZINC000422892431 387764423 /nfs/dbraw/zinc/76/44/23/387764423.db2.gz YNYLHUIDMYPZCY-FRRDWIJNSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1N(C)C ZINC000643527562 387765082 /nfs/dbraw/zinc/76/50/82/387765082.db2.gz OMTKQRXQZLUZGT-WDEREUQCSA-N 2 1 221.348 1.750 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccco1 ZINC000422962128 387811955 /nfs/dbraw/zinc/81/19/55/387811955.db2.gz DXMOHORZOYDOSP-PWSUYJOCSA-N 2 1 208.305 1.410 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[NH3+])CC2 ZINC000643528491 387770165 /nfs/dbraw/zinc/77/01/65/387770165.db2.gz KDMRLTGJRGGNLC-GXFFZTMASA-N 2 1 204.317 1.919 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000527975237 387813592 /nfs/dbraw/zinc/81/35/92/387813592.db2.gz SKACMEXZNXQANE-ITGHMWBKSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CC12CC2 ZINC000527892082 387776188 /nfs/dbraw/zinc/77/61/88/387776188.db2.gz NAIHGOFEWWARJY-JQWIXIFHSA-N 2 1 219.332 1.741 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000643529441 387777178 /nfs/dbraw/zinc/77/71/78/387777178.db2.gz ZZJAGMXFMQILTN-QWRGUYRKSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000527945424 387782405 /nfs/dbraw/zinc/78/24/05/387782405.db2.gz RCMJDFMVJFTTNM-DGCLKSJQSA-N 2 1 208.349 1.882 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000131716537 387786500 /nfs/dbraw/zinc/78/65/00/387786500.db2.gz SJMMXOGDWAMKGI-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000422902697 387786898 /nfs/dbraw/zinc/78/68/98/387786898.db2.gz VANOIOMUWMSSIM-SYQHCUMBSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432419011 387788347 /nfs/dbraw/zinc/78/83/47/387788347.db2.gz YGTPFZMCWGALMH-KPHYFBGPSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432419009 387788572 /nfs/dbraw/zinc/78/85/72/387788572.db2.gz YGTPFZMCWGALMH-AYZDXNEBSA-N 2 1 240.391 1.466 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422979895 387791592 /nfs/dbraw/zinc/79/15/92/387791592.db2.gz NUYNRRZHETVVHQ-QJPTWQEYSA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422979896 387792256 /nfs/dbraw/zinc/79/22/56/387792256.db2.gz NUYNRRZHETVVHQ-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC23CC(C2)CO3)CC[N@H+]1C ZINC000527980425 387798227 /nfs/dbraw/zinc/79/82/27/387798227.db2.gz KAVIKMCVNZSHRW-GMKTYKIGSA-N 2 1 224.348 1.238 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422994960 387802780 /nfs/dbraw/zinc/80/27/80/387802780.db2.gz WQQVYAIVIVOSCC-SRVKXCTJSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[N@H+](C)CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422963150 387813277 /nfs/dbraw/zinc/81/32/77/387813277.db2.gz HRPIBUXEQUJDNJ-VXGBXAGGSA-N 2 1 215.385 1.432 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422963150 387813280 /nfs/dbraw/zinc/81/32/80/387813280.db2.gz HRPIBUXEQUJDNJ-VXGBXAGGSA-N 3 1 215.385 1.432 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422963150 387813283 /nfs/dbraw/zinc/81/32/83/387813283.db2.gz HRPIBUXEQUJDNJ-VXGBXAGGSA-N 3 1 215.385 1.432 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CCCO ZINC000422999795 387804644 /nfs/dbraw/zinc/80/46/44/387804644.db2.gz YLDLZJCNQJDTGJ-NWDGAFQWSA-N 2 1 228.380 1.373 20 0 BDADMP COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000423001883 387807343 /nfs/dbraw/zinc/80/73/43/387807343.db2.gz ITJXQEKOMDPROM-ZIAGYGMSSA-N 2 1 234.343 1.973 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000528001127 387808618 /nfs/dbraw/zinc/80/86/18/387808618.db2.gz HPGSEVGWHLTROK-KQXIARHKSA-N 2 1 226.364 1.482 20 0 BDADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000193815652 387809463 /nfs/dbraw/zinc/80/94/63/387809463.db2.gz LYYBHGTXPHINNL-QWRGUYRKSA-N 2 1 228.405 1.954 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422954071 387809925 /nfs/dbraw/zinc/80/99/25/387809925.db2.gz HFNUZQZOPYRISO-SMDDNHRTSA-N 2 1 234.343 1.572 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccco1 ZINC000422962129 387810859 /nfs/dbraw/zinc/81/08/59/387810859.db2.gz DXMOHORZOYDOSP-ZYHUDNBSSA-N 2 1 208.305 1.410 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422882528 387757392 /nfs/dbraw/zinc/75/73/92/387757392.db2.gz SMNSRPVSWGNUNQ-QWHCGFSZSA-N 2 1 227.396 1.304 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000422882463 387758021 /nfs/dbraw/zinc/75/80/21/387758021.db2.gz SIRKYMFUGKFYFP-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]([NH3+])C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000442666882 387819941 /nfs/dbraw/zinc/81/99/41/387819941.db2.gz XDXAKVBDOTVARV-SWLSCSKDSA-N 2 1 248.370 1.706 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000442666882 387819944 /nfs/dbraw/zinc/81/99/44/387819944.db2.gz XDXAKVBDOTVARV-SWLSCSKDSA-N 2 1 248.370 1.706 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422976064 387826310 /nfs/dbraw/zinc/82/63/10/387826310.db2.gz UKXQLMBLDBKPNU-JTQLQIEISA-N 2 1 237.347 1.696 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422976065 387827292 /nfs/dbraw/zinc/82/72/92/387827292.db2.gz UKXQLMBLDBKPNU-SNVBAGLBSA-N 2 1 237.347 1.696 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CC[N@H+]1C ZINC000313313859 387828334 /nfs/dbraw/zinc/82/83/34/387828334.db2.gz ZSGGOFHFLBSNCA-NWDGAFQWSA-N 2 1 236.363 1.035 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423008891 387831201 /nfs/dbraw/zinc/83/12/01/387831201.db2.gz USBRYRUTWMQHOF-RNJOBUHISA-N 2 1 224.348 1.044 20 0 BDADMP CCOCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423008036 387832074 /nfs/dbraw/zinc/83/20/74/387832074.db2.gz ZDZZRUGIUYWQBN-CHWSQXEVSA-N 2 1 240.391 1.781 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000423008959 387832188 /nfs/dbraw/zinc/83/21/88/387832188.db2.gz UXSBQLFJQUDQTR-RYUDHWBXSA-N 2 1 228.380 1.373 20 0 BDADMP CCOCCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423008037 387832304 /nfs/dbraw/zinc/83/23/04/387832304.db2.gz ZDZZRUGIUYWQBN-OLZOCXBDSA-N 2 1 240.391 1.781 20 0 BDADMP COc1cc(F)cc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000423014613 387838581 /nfs/dbraw/zinc/83/85/81/387838581.db2.gz JBCTZJKRTRRMHX-SECBINFHSA-N 2 1 238.306 1.532 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000423026877 387842728 /nfs/dbraw/zinc/84/27/28/387842728.db2.gz CKGZBKAQRZFRGA-YFKTTZPYSA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000423026877 387842733 /nfs/dbraw/zinc/84/27/33/387842733.db2.gz CKGZBKAQRZFRGA-YFKTTZPYSA-N 2 1 213.369 1.185 20 0 BDADMP C1CCC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCO[C@@H]12 ZINC000423033606 387849793 /nfs/dbraw/zinc/84/97/93/387849793.db2.gz XEDDERFOHLEGNT-XQHKEYJVSA-N 2 1 236.359 1.286 20 0 BDADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423038023 387852014 /nfs/dbraw/zinc/85/20/14/387852014.db2.gz XOARGAKBTHSDTN-SYQHCUMBSA-N 2 1 240.391 1.779 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOC)[C@H](C)C1 ZINC000151653463 387874115 /nfs/dbraw/zinc/87/41/15/387874115.db2.gz WOICKGYDXCLTFQ-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000423043128 387855077 /nfs/dbraw/zinc/85/50/77/387855077.db2.gz NIXROLVWNAJPLG-ZDEQEGDKSA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000423044910 387855117 /nfs/dbraw/zinc/85/51/17/387855117.db2.gz CFCRBJLKYDZIIQ-GRYCIOLGSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051709 387859774 /nfs/dbraw/zinc/85/97/74/387859774.db2.gz OBQBSFCNFGVDMC-NWDGAFQWSA-N 2 1 226.364 1.127 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@H+]1CCCC(C)(C)C1 ZINC000423073288 387874579 /nfs/dbraw/zinc/87/45/79/387874579.db2.gz ILRJBRDONHMLGS-CHWSQXEVSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCCC(C)(C)C1 ZINC000423073288 387874582 /nfs/dbraw/zinc/87/45/82/387874582.db2.gz ILRJBRDONHMLGS-CHWSQXEVSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000643535855 387866595 /nfs/dbraw/zinc/86/65/95/387866595.db2.gz JWDGDHCQNIULNB-YNEHKIRRSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCCN1 ZINC000643535855 387866599 /nfs/dbraw/zinc/86/65/99/387866599.db2.gz JWDGDHCQNIULNB-YNEHKIRRSA-N 2 1 237.391 1.249 20 0 BDADMP CC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536261 387867702 /nfs/dbraw/zinc/86/77/02/387867702.db2.gz PIHKCBDVOVWVFS-FRRDWIJNSA-N 2 1 237.391 1.249 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)[C@@H]1CCC[NH2+]1 ZINC000423063705 387868376 /nfs/dbraw/zinc/86/83/76/387868376.db2.gz PJQHXBXNUQZVBJ-AVGNSLFASA-N 2 1 248.374 1.318 20 0 BDADMP Cc1nc(C)c(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000235934232 387868658 /nfs/dbraw/zinc/86/86/58/387868658.db2.gz UMGJWVXFIPOHHF-UHFFFAOYSA-N 2 1 239.388 1.992 20 0 BDADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccco1 ZINC000422963078 387814207 /nfs/dbraw/zinc/81/42/07/387814207.db2.gz HJWWGNGABMDPEG-GRYCIOLGSA-N 2 1 237.347 1.352 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976668 387815406 /nfs/dbraw/zinc/81/54/06/387815406.db2.gz FYFDKQXKPLZQQQ-CQLXCSJHSA-N 2 1 224.348 1.095 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422968788 387819802 /nfs/dbraw/zinc/81/98/02/387819802.db2.gz XSEXQEGWNPJCMT-UHFFFAOYSA-N 3 1 241.423 1.824 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423104216 387889845 /nfs/dbraw/zinc/88/98/45/387889845.db2.gz GWGVPDXYXLOEDS-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423104216 387889846 /nfs/dbraw/zinc/88/98/46/387889846.db2.gz GWGVPDXYXLOEDS-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000423105125 387890767 /nfs/dbraw/zinc/89/07/67/387890767.db2.gz BUOHGNLNRXMWBU-GWOFURMSSA-N 2 1 248.317 1.877 20 0 BDADMP Cc1cccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000423111143 387892880 /nfs/dbraw/zinc/89/28/80/387892880.db2.gz VYNFRKJXMIYVER-IUODEOHRSA-N 2 1 247.386 1.910 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423111943 387895964 /nfs/dbraw/zinc/89/59/64/387895964.db2.gz RIICFFCSUAFTJV-QWRGUYRKSA-N 2 1 237.347 1.409 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423115496 387896813 /nfs/dbraw/zinc/89/68/13/387896813.db2.gz YASUXMWVXBGMME-MBJXGIAVSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085183 387877896 /nfs/dbraw/zinc/87/78/96/387877896.db2.gz JYAFECFJMMQXIN-YPMHNXCESA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085183 387877900 /nfs/dbraw/zinc/87/79/00/387877900.db2.gz JYAFECFJMMQXIN-YPMHNXCESA-N 2 1 239.407 1.304 20 0 BDADMP CSC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423082981 387878154 /nfs/dbraw/zinc/87/81/54/387878154.db2.gz GADXYMJBIQREMN-MNOVXSKESA-N 2 1 228.405 1.860 20 0 BDADMP CSC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423082983 387879135 /nfs/dbraw/zinc/87/91/35/387879135.db2.gz GADXYMJBIQREMN-QWRGUYRKSA-N 2 1 228.405 1.860 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423116120 387899060 /nfs/dbraw/zinc/89/90/60/387899060.db2.gz ZPJMGJAPMFLHLB-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423140281 387918280 /nfs/dbraw/zinc/91/82/80/387918280.db2.gz MFLANNUNQYODGV-VPOLOUISSA-N 2 1 200.326 1.140 20 0 BDADMP C[NH+](C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645775997 387899964 /nfs/dbraw/zinc/89/99/64/387899964.db2.gz ULSRXLUUVNPXHH-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000423120425 387901406 /nfs/dbraw/zinc/90/14/06/387901406.db2.gz GMNDUJTZGBMNLX-MBNYWOFBSA-N 2 1 246.354 1.750 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423128046 387904686 /nfs/dbraw/zinc/90/46/86/387904686.db2.gz UTPDVFHAWRUFJH-NWDGAFQWSA-N 2 1 228.380 1.637 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000423127840 387905098 /nfs/dbraw/zinc/90/50/98/387905098.db2.gz PQNASZRLMJPQHD-GRYCIOLGSA-N 2 1 228.405 1.717 20 0 BDADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423130800 387907494 /nfs/dbraw/zinc/90/74/94/387907494.db2.gz ZDVXXGSDMJEHOO-NWDGAFQWSA-N 2 1 248.374 1.365 20 0 BDADMP CC[C@@H]([NH2+]CCc1nccnc1C)[C@@H]1CCC[NH2+]1 ZINC000423132410 387909336 /nfs/dbraw/zinc/90/93/36/387909336.db2.gz JERFKVILBQJQSL-OCCSQVGLSA-N 2 1 248.374 1.448 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000423136311 387914468 /nfs/dbraw/zinc/91/44/68/387914468.db2.gz PBIOGBVDYRKAOA-NOZJJQNGSA-N 2 1 235.331 1.570 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc[nH]c(=O)c1 ZINC000423139289 387916177 /nfs/dbraw/zinc/91/61/77/387916177.db2.gz VGWKURKQENUHOR-JFGNBEQYSA-N 2 1 235.331 1.578 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423156352 387934246 /nfs/dbraw/zinc/93/42/46/387934246.db2.gz SERMPYHFQNGXQF-SRVKXCTJSA-N 2 1 236.363 1.681 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423156353 387936897 /nfs/dbraw/zinc/93/68/97/387936897.db2.gz SERMPYHFQNGXQF-TUAOUCFPSA-N 2 1 236.363 1.681 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000423143283 387919955 /nfs/dbraw/zinc/91/99/55/387919955.db2.gz WWFQEBMXFVEMOK-SRVKXCTJSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CC1 ZINC000423160003 387940742 /nfs/dbraw/zinc/94/07/42/387940742.db2.gz QFROLDAYPVICDJ-CABNGKKXSA-N 2 1 238.375 1.532 20 0 BDADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423161818 387943523 /nfs/dbraw/zinc/94/35/23/387943523.db2.gz JTCFYPBYVTVVCA-GHMZBOCLSA-N 2 1 235.331 1.307 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@H]1CCC[NH2+]1 ZINC000423165327 387948188 /nfs/dbraw/zinc/94/81/88/387948188.db2.gz PUNQFUSZSLRREC-NOOOWODRSA-N 2 1 212.337 1.284 20 0 BDADMP COCCCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282684 387950257 /nfs/dbraw/zinc/95/02/57/387950257.db2.gz AAKCGKQNLNXJND-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2cncn2c1 ZINC000423172448 387959648 /nfs/dbraw/zinc/95/96/48/387959648.db2.gz SYCKXIODLJABKH-TZMCWYRMSA-N 2 1 244.342 1.551 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)[C@H](C)O1 ZINC000423176239 387961986 /nfs/dbraw/zinc/96/19/86/387961986.db2.gz FUVKSTDZERSEEI-UJPOAAIJSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)[C@@H](C)O1 ZINC000423176238 387962656 /nfs/dbraw/zinc/96/26/56/387962656.db2.gz FUVKSTDZERSEEI-SYLRKERUSA-N 2 1 226.364 1.388 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000423180097 387965451 /nfs/dbraw/zinc/96/54/51/387965451.db2.gz ICHLCYOQNRDWSL-STQMWFEESA-N 2 1 204.317 1.871 20 0 BDADMP CCC1(CC)[C@H]([NH2+]CC[NH3+])C[C@H]1OC ZINC000423180120 387965491 /nfs/dbraw/zinc/96/54/91/387965491.db2.gz IDYJZWWWKHBYSL-NXEZZACHSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[NH3+] ZINC000423182380 387968505 /nfs/dbraw/zinc/96/85/05/387968505.db2.gz LQKFGLAFSXUNOK-JTQLQIEISA-N 2 1 210.296 1.695 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170885 387957711 /nfs/dbraw/zinc/95/77/11/387957711.db2.gz NAEWIVHUIZEIFZ-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170885 387957713 /nfs/dbraw/zinc/95/77/13/387957713.db2.gz NAEWIVHUIZEIFZ-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170885 387957717 /nfs/dbraw/zinc/95/77/17/387957717.db2.gz NAEWIVHUIZEIFZ-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 ZINC000423194312 387979985 /nfs/dbraw/zinc/97/99/85/387979985.db2.gz XRLUVSGFGJSDQD-NWDGAFQWSA-N 2 1 242.363 1.437 20 0 BDADMP CC1(C)[C@@H]([NH2+]CC[NH3+])C[C@@H]1OCc1ccccc1 ZINC000423189220 387973205 /nfs/dbraw/zinc/97/32/05/387973205.db2.gz QPDCNXZGSJZGQZ-KBPBESRZSA-N 2 1 248.370 1.919 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1c[nH+]ccc1N ZINC000423188798 387973470 /nfs/dbraw/zinc/97/34/70/387973470.db2.gz QKJDKAXHUJQNCO-WRWGMCAJSA-N 2 1 249.358 1.958 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423188198 387974221 /nfs/dbraw/zinc/97/42/21/387974221.db2.gz PUHBFSVEVDIIDE-ZIAGYGMSSA-N 2 1 218.344 1.946 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423188206 387974275 /nfs/dbraw/zinc/97/42/75/387974275.db2.gz PUYMFCPGAIATFT-WCQYABFASA-N 2 1 219.332 1.656 20 0 BDADMP CSCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869005 387975189 /nfs/dbraw/zinc/97/51/89/387975189.db2.gz NSCSCYWATGKUSD-VXGBXAGGSA-N 2 1 228.405 1.956 20 0 BDADMP C[N@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423191487 387975519 /nfs/dbraw/zinc/97/55/19/387975519.db2.gz UFVYZTFIAOBQKD-HZSPNIEDSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423191487 387975523 /nfs/dbraw/zinc/97/55/23/387975523.db2.gz UFVYZTFIAOBQKD-HZSPNIEDSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423191487 387975528 /nfs/dbraw/zinc/97/55/28/387975528.db2.gz UFVYZTFIAOBQKD-HZSPNIEDSA-N 3 1 237.391 1.201 20 0 BDADMP COCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423192840 387977867 /nfs/dbraw/zinc/97/78/67/387977867.db2.gz VAGDTYKMOVZZSO-BLYZHGLHSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[NH3+] ZINC000423191996 387977871 /nfs/dbraw/zinc/97/78/71/387977871.db2.gz UYTVYIZGVAYQTH-SNVBAGLBSA-N 2 1 232.331 1.432 20 0 BDADMP CC[C@H]([NH2+]CCC[NH2+]C)c1ccc(F)cn1 ZINC000423204075 387989492 /nfs/dbraw/zinc/98/94/92/387989492.db2.gz UGXWVZPPGSISFP-NSHDSACASA-N 2 1 225.311 1.871 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccncc1F ZINC000423211036 387995232 /nfs/dbraw/zinc/99/52/32/387995232.db2.gz KOUSBMYMOHGEDL-QWRGUYRKSA-N 2 1 237.322 1.871 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000453102372 387984710 /nfs/dbraw/zinc/98/47/10/387984710.db2.gz PKAJQLOFOKWWME-XQHKEYJVSA-N 2 1 228.380 1.323 20 0 BDADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCC1 ZINC000453106743 387986091 /nfs/dbraw/zinc/98/60/91/387986091.db2.gz ZWTNYHSXZRAMCS-UONOGXRCSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000424371565 387996971 /nfs/dbraw/zinc/99/69/71/387996971.db2.gz VKFWIELNDOEICZ-VXGBXAGGSA-N 2 1 245.330 1.089 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC[C@H]1CCCCO1 ZINC000420397652 387997500 /nfs/dbraw/zinc/99/75/00/387997500.db2.gz XSXJJXFCXUFBSG-GFCCVEGCSA-N 2 1 214.353 1.487 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423216089 387997880 /nfs/dbraw/zinc/99/78/80/387997880.db2.gz PJVSDQLNOBWRPF-RYUDHWBXSA-N 2 1 212.337 1.143 20 0 BDADMP NCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000420401742 387999982 /nfs/dbraw/zinc/99/99/82/387999982.db2.gz JGZFGGGTUWXWDA-AWEZNQCLSA-N 2 1 248.326 1.457 20 0 BDADMP [NH3+]CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000420401742 387999987 /nfs/dbraw/zinc/99/99/87/387999987.db2.gz JGZFGGGTUWXWDA-AWEZNQCLSA-N 2 1 248.326 1.457 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252716399 135093998 /nfs/dbraw/zinc/09/39/98/135093998.db2.gz YJNWMJLMSAGYAG-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252716399 135093999 /nfs/dbraw/zinc/09/39/99/135093999.db2.gz YJNWMJLMSAGYAG-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156619780 388010578 /nfs/dbraw/zinc/01/05/78/388010578.db2.gz GIKJYUZLIXAAKB-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423240426 388023878 /nfs/dbraw/zinc/02/38/78/388023878.db2.gz TYMLBLZYFPRATP-LBPRGKRZSA-N 2 1 224.352 1.107 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423237740 388020830 /nfs/dbraw/zinc/02/08/30/388020830.db2.gz DSFIGLXXLQUHEE-FRRDWIJNSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCCN1 ZINC000423238445 388023004 /nfs/dbraw/zinc/02/30/04/388023004.db2.gz AKEWJBHMQKWAEU-AVGNSLFASA-N 2 1 225.380 1.106 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423252549 388032995 /nfs/dbraw/zinc/03/29/95/388032995.db2.gz XXZVTPHTGOFCNE-YNEHKIRRSA-N 2 1 238.375 1.533 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527387 135151360 /nfs/dbraw/zinc/15/13/60/135151360.db2.gz ALGJTEJIFNXTPV-GHMZBOCLSA-N 2 1 214.378 1.410 20 0 BDADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000446757230 388036800 /nfs/dbraw/zinc/03/68/00/388036800.db2.gz SAJONSBGLYTPEU-UKRRQHHQSA-N 2 1 248.370 1.446 20 0 BDADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000446757230 388036806 /nfs/dbraw/zinc/03/68/06/388036806.db2.gz SAJONSBGLYTPEU-UKRRQHHQSA-N 2 1 248.370 1.446 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256078 388037108 /nfs/dbraw/zinc/03/71/08/388037108.db2.gz DJTGVOPWYRTZPQ-HZSPNIEDSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256078 388037111 /nfs/dbraw/zinc/03/71/11/388037111.db2.gz DJTGVOPWYRTZPQ-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP Cc1cccc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000082647355 388039052 /nfs/dbraw/zinc/03/90/52/388039052.db2.gz HRWVAAVQSIDJFH-VXGBXAGGSA-N 2 1 219.332 1.954 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423263045 388040579 /nfs/dbraw/zinc/04/05/79/388040579.db2.gz ALYYWSMUJOZNFT-FDYHWXHSSA-N 2 1 227.396 1.288 20 0 BDADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@H]1CCOC1 ZINC000423263196 388041086 /nfs/dbraw/zinc/04/10/86/388041086.db2.gz OCMUIZGXHJTIAS-AVGNSLFASA-N 2 1 228.380 1.765 20 0 BDADMP CC[N@@H+]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000423245356 388028209 /nfs/dbraw/zinc/02/82/09/388028209.db2.gz OSLZHGKEZYIUIM-CFVMTHIKSA-N 2 1 247.386 1.616 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423248210 388029524 /nfs/dbraw/zinc/02/95/24/388029524.db2.gz QJZGTMSSYSHMNY-QWRGUYRKSA-N 2 1 214.353 1.388 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423246582 388030247 /nfs/dbraw/zinc/03/02/47/388030247.db2.gz NZXRWDFDARJOPK-JHJVBQTASA-N 2 1 226.364 1.391 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156772070 388031631 /nfs/dbraw/zinc/03/16/31/388031631.db2.gz SSETXHWDDIPUFR-UTUOFQBUSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156772070 388031636 /nfs/dbraw/zinc/03/16/36/388031636.db2.gz SSETXHWDDIPUFR-UTUOFQBUSA-N 2 1 214.353 1.220 20 0 BDADMP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cn1 ZINC000423273471 388053468 /nfs/dbraw/zinc/05/34/68/388053468.db2.gz IZJPGDUTGCOKBS-GXFFZTMASA-N 2 1 249.358 1.348 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423273878 388053757 /nfs/dbraw/zinc/05/37/57/388053757.db2.gz LBFMCVAVJZCHRW-SYQHCUMBSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(C)C ZINC000423275344 388056412 /nfs/dbraw/zinc/05/64/12/388056412.db2.gz LSIAIVGIBJXARI-RWMBFGLXSA-N 2 1 240.391 1.905 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423280863 388062344 /nfs/dbraw/zinc/06/23/44/388062344.db2.gz SYYLSJIXYCKHAK-SKDRFNHKSA-N 2 1 208.305 1.538 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423283275 388065579 /nfs/dbraw/zinc/06/55/79/388065579.db2.gz FCVICCMNIYPKNM-STQMWFEESA-N 2 1 239.407 1.720 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423284215 388067333 /nfs/dbraw/zinc/06/73/33/388067333.db2.gz WRIHLDGRDRBAHG-DRZSPHRISA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453393569 388068892 /nfs/dbraw/zinc/06/88/92/388068892.db2.gz VFMBYQQIMFAFKW-IKOXMDCHSA-N 2 1 240.391 1.466 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000423290600 388074856 /nfs/dbraw/zinc/07/48/56/388074856.db2.gz DROYLRYEWBDURX-VIFPVBQESA-N 2 1 210.325 1.578 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)C1CCOCC1 ZINC000423297931 388080346 /nfs/dbraw/zinc/08/03/46/388080346.db2.gz MMBWBDICUMBGKL-DGCLKSJQSA-N 2 1 228.380 1.909 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000447584671 388080487 /nfs/dbraw/zinc/08/04/87/388080487.db2.gz GPPPMNJJMCTWBZ-WYTNZGFTSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@H]1C[NH+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000447584671 388080489 /nfs/dbraw/zinc/08/04/89/388080489.db2.gz GPPPMNJJMCTWBZ-WYTNZGFTSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000447584671 388080493 /nfs/dbraw/zinc/08/04/93/388080493.db2.gz GPPPMNJJMCTWBZ-WYTNZGFTSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000447584671 388080496 /nfs/dbraw/zinc/08/04/96/388080496.db2.gz GPPPMNJJMCTWBZ-WYTNZGFTSA-N 2 1 237.391 1.151 20 0 BDADMP Oc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000085282317 388085940 /nfs/dbraw/zinc/08/59/40/388085940.db2.gz PYUMLAZQWWJKAR-TXEJJXNPSA-N 2 1 218.300 1.043 20 0 BDADMP Oc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000085282317 388085942 /nfs/dbraw/zinc/08/59/42/388085942.db2.gz PYUMLAZQWWJKAR-TXEJJXNPSA-N 2 1 218.300 1.043 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000085417357 388087404 /nfs/dbraw/zinc/08/74/04/388087404.db2.gz NBWHFRNVDVPKIK-QWRGUYRKSA-N 2 1 249.362 1.106 20 0 BDADMP CC(C)[N@H+](C)CCNc1cc[nH+]c(N(C)C)n1 ZINC000085431701 388089143 /nfs/dbraw/zinc/08/91/43/388089143.db2.gz ISGYOXVRKMIOHM-UHFFFAOYSA-N 2 1 237.351 1.295 20 0 BDADMP CC(C)[N@@H+](C)CCNc1cc[nH+]c(N(C)C)n1 ZINC000085431701 388089147 /nfs/dbraw/zinc/08/91/47/388089147.db2.gz ISGYOXVRKMIOHM-UHFFFAOYSA-N 2 1 237.351 1.295 20 0 BDADMP C=Cn1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453601762 388089685 /nfs/dbraw/zinc/08/96/85/388089685.db2.gz VOBXYNHMRFMCPL-UHFFFAOYSA-N 2 1 248.374 1.948 20 0 BDADMP CC(C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789856 388096420 /nfs/dbraw/zinc/09/64/20/388096420.db2.gz BCRRVYLIFQLUGH-YNEHKIRRSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789856 388096421 /nfs/dbraw/zinc/09/64/21/388096421.db2.gz BCRRVYLIFQLUGH-YNEHKIRRSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163911544 388098772 /nfs/dbraw/zinc/09/87/72/388098772.db2.gz UNGKBHREGIHFAV-UMSGYPCISA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccnn1C ZINC000086496269 388103514 /nfs/dbraw/zinc/10/35/14/388103514.db2.gz BQHJGQHSBKCYMN-MNOVXSKESA-N 2 1 222.336 1.040 20 0 BDADMP CC(C)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336661428 388104240 /nfs/dbraw/zinc/10/42/40/388104240.db2.gz CCYYFKCLCVCEQI-OLZOCXBDSA-N 2 1 210.365 1.964 20 0 BDADMP C([NH2+][C@@H]1CCCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086873339 388109592 /nfs/dbraw/zinc/10/95/92/388109592.db2.gz DUPIZUHAGIVNAG-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000449118437 388145351 /nfs/dbraw/zinc/14/53/51/388145351.db2.gz XTACZZHLGFQYCX-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCF ZINC000261528781 135153991 /nfs/dbraw/zinc/15/39/91/135153991.db2.gz NVAQGFHURUTYTE-GHMZBOCLSA-N 2 1 202.317 1.856 20 0 BDADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCF ZINC000261528783 135154115 /nfs/dbraw/zinc/15/41/15/135154115.db2.gz NVAQGFHURUTYTE-QWRGUYRKSA-N 2 1 202.317 1.856 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449521618 388223167 /nfs/dbraw/zinc/22/31/67/388223167.db2.gz IZLQCRPEUYXUOL-REWJHTLYSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C1CC1 ZINC000400194656 256612228 /nfs/dbraw/zinc/61/22/28/256612228.db2.gz XFEZYXNCIDZMQV-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CCS[C@@H]1CC[C@H]([N@H+](C)CCN)C1 ZINC000261529168 135154823 /nfs/dbraw/zinc/15/48/23/135154823.db2.gz PSHNKWQFAPHVEU-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCN)C1 ZINC000261529168 135154824 /nfs/dbraw/zinc/15/48/24/135154824.db2.gz PSHNKWQFAPHVEU-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@@H]1CC[C@H]([N@H+](C)CC[NH3+])C1 ZINC000261529168 135154826 /nfs/dbraw/zinc/15/48/26/135154826.db2.gz PSHNKWQFAPHVEU-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC[NH3+])C1 ZINC000261529168 135154828 /nfs/dbraw/zinc/15/48/28/135154828.db2.gz PSHNKWQFAPHVEU-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP C[C@H]1[C@@H](O)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000451463248 388275411 /nfs/dbraw/zinc/27/54/11/388275411.db2.gz UVEGWHZCQJEFHR-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261531650 135160512 /nfs/dbraw/zinc/16/05/12/135160512.db2.gz HJTDWPXNFWLQQM-SECBINFHSA-N 2 1 222.254 1.624 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000572722682 388371198 /nfs/dbraw/zinc/37/11/98/388371198.db2.gz LIASZEKWVXCSTO-CYBMUJFWSA-N 2 1 235.331 1.194 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235723802 388374714 /nfs/dbraw/zinc/37/47/14/388374714.db2.gz YTTYXAJJWPTPPX-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCS1 ZINC000327525475 388377243 /nfs/dbraw/zinc/37/72/43/388377243.db2.gz TYBHJMRVQKNIDG-TUAOUCFPSA-N 2 1 226.389 1.423 20 0 BDADMP CC[N@H+](CCc1cccs1)C[C@H](C)[NH3+] ZINC000261535956 135170780 /nfs/dbraw/zinc/17/07/80/135170780.db2.gz PUXXKEMNIBUNQQ-JTQLQIEISA-N 2 1 212.362 1.960 20 0 BDADMP CC[N@@H+](CCc1cccs1)C[C@H](C)[NH3+] ZINC000261535956 135170782 /nfs/dbraw/zinc/17/07/82/135170782.db2.gz PUXXKEMNIBUNQQ-JTQLQIEISA-N 2 1 212.362 1.960 20 0 BDADMP C(C1CCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334998939 388448116 /nfs/dbraw/zinc/44/81/16/388448116.db2.gz WSHXSMBPLXAWOD-BETUJISGSA-N 2 1 208.349 1.718 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](CC2(F)CC2)CC1 ZINC000525995893 388452480 /nfs/dbraw/zinc/45/24/80/388452480.db2.gz JRDZKMTZXAUTEQ-NSHDSACASA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2(F)CC2)CC1 ZINC000525995893 388452482 /nfs/dbraw/zinc/45/24/82/388452482.db2.gz JRDZKMTZXAUTEQ-NSHDSACASA-N 2 1 214.328 1.905 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000397264851 388455978 /nfs/dbraw/zinc/45/59/78/388455978.db2.gz ISELQNXNDRMBPI-NFAWXSAZSA-N 2 1 247.386 1.929 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000397358632 388463033 /nfs/dbraw/zinc/46/30/33/388463033.db2.gz FVNFQOYOBFTMDF-YRGRVCCFSA-N 2 1 233.359 1.887 20 0 BDADMP CC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339193511 388481442 /nfs/dbraw/zinc/48/14/42/388481442.db2.gz GRTCIWNKHORDRN-HNGCFSAESA-N 2 1 226.364 1.314 20 0 BDADMP CCc1cc(N[C@@H]2CCc3[nH+]ccn3C2)cc[nH+]1 ZINC000649255012 388471638 /nfs/dbraw/zinc/47/16/38/388471638.db2.gz MNQSICFQPHQCAJ-CYBMUJFWSA-N 2 1 242.326 1.689 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000397486133 388473608 /nfs/dbraw/zinc/47/36/08/388473608.db2.gz UZXYSUQWDZDFKS-BZPMIXESSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC000404488411 388421534 /nfs/dbraw/zinc/42/15/34/388421534.db2.gz FFZFMBSSJAPNEM-BDAKNGLRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000404488411 388421536 /nfs/dbraw/zinc/42/15/36/388421536.db2.gz FFZFMBSSJAPNEM-BDAKNGLRSA-N 2 1 211.334 1.312 20 0 BDADMP CCc1cc(N[C@@H](C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000307766683 388425389 /nfs/dbraw/zinc/42/53/89/388425389.db2.gz FGNDZAXMCCCLBW-LBPRGKRZSA-N 2 1 249.358 1.777 20 0 BDADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000336886906 388427227 /nfs/dbraw/zinc/42/72/27/388427227.db2.gz CKCMLXGUCYEVRZ-ZDUSSCGKSA-N 2 1 237.391 1.297 20 0 BDADMP CCC[C@@]1([NH2+]CCn2cc[nH+]c2C)CCOC1 ZINC000352817202 388539033 /nfs/dbraw/zinc/53/90/33/388539033.db2.gz QGVJBUKMHKHZEY-CYBMUJFWSA-N 2 1 237.347 1.740 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCCC2)[C@H](C)C1 ZINC000178308804 388498159 /nfs/dbraw/zinc/49/81/59/388498159.db2.gz VRHPDRLFQSSWEN-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCCC2)[C@H](C)C1 ZINC000178308804 388498162 /nfs/dbraw/zinc/49/81/62/388498162.db2.gz VRHPDRLFQSSWEN-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCCC2)[C@H](C)C1 ZINC000178308804 388498165 /nfs/dbraw/zinc/49/81/65/388498165.db2.gz VRHPDRLFQSSWEN-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000342805883 388499025 /nfs/dbraw/zinc/49/90/25/388499025.db2.gz KXEDSFGEZFWNDR-JHJVBQTASA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+](C)C)CC1 ZINC000397860850 388507391 /nfs/dbraw/zinc/50/73/91/388507391.db2.gz YEABWGIHOOOONL-VXGBXAGGSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860850 388507393 /nfs/dbraw/zinc/50/73/93/388507393.db2.gz YEABWGIHOOOONL-VXGBXAGGSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860850 388507397 /nfs/dbraw/zinc/50/73/97/388507397.db2.gz YEABWGIHOOOONL-VXGBXAGGSA-N 2 1 225.380 1.010 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+][C@@H](C)[C@H]2C)c1 ZINC000346692069 388520816 /nfs/dbraw/zinc/52/08/16/388520816.db2.gz XOWKRBIQZZHNJA-NWDGAFQWSA-N 2 1 249.358 1.581 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000136083013 388521161 /nfs/dbraw/zinc/52/11/61/388521161.db2.gz SMSPIVDHTJKIPH-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356774736 388550111 /nfs/dbraw/zinc/55/01/11/388550111.db2.gz DHJIVJFAFABEGE-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000186793347 388603675 /nfs/dbraw/zinc/60/36/75/388603675.db2.gz QKULVUDYRQDTFB-FDYHWXHSSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000186793347 388603677 /nfs/dbraw/zinc/60/36/77/388603677.db2.gz QKULVUDYRQDTFB-FDYHWXHSSA-N 2 1 226.364 1.362 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000220587584 388605972 /nfs/dbraw/zinc/60/59/72/388605972.db2.gz ITMNPIWPJUPVRD-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000358084155 388553289 /nfs/dbraw/zinc/55/32/89/388553289.db2.gz LTEZZFDOOOEACO-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000359644403 388557490 /nfs/dbraw/zinc/55/74/90/388557490.db2.gz ZZKJQFTUOHHEOJ-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000359644403 388557493 /nfs/dbraw/zinc/55/74/93/388557493.db2.gz ZZKJQFTUOHHEOJ-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359644403 388557496 /nfs/dbraw/zinc/55/74/96/388557496.db2.gz ZZKJQFTUOHHEOJ-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000359644403 388557498 /nfs/dbraw/zinc/55/74/98/388557498.db2.gz ZZKJQFTUOHHEOJ-UONOGXRCSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000359644403 388557502 /nfs/dbraw/zinc/55/75/02/388557502.db2.gz ZZKJQFTUOHHEOJ-UONOGXRCSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000359644403 388557505 /nfs/dbraw/zinc/55/75/05/388557505.db2.gz ZZKJQFTUOHHEOJ-UONOGXRCSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359644403 388557508 /nfs/dbraw/zinc/55/75/08/388557508.db2.gz ZZKJQFTUOHHEOJ-UONOGXRCSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000361184540 388559877 /nfs/dbraw/zinc/55/98/77/388559877.db2.gz SIWYSGKGQUFRHK-WFASDCNBSA-N 2 1 248.370 1.609 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367615122 388565253 /nfs/dbraw/zinc/56/52/53/388565253.db2.gz JXQJRZLVWVEMIZ-RVMXOQNASA-N 2 1 226.364 1.220 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528760265 388568241 /nfs/dbraw/zinc/56/82/41/388568241.db2.gz JQUXOCJUTOXDDJ-BLFANLJRSA-N 2 1 237.347 1.593 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000385061557 388573644 /nfs/dbraw/zinc/57/36/44/388573644.db2.gz UMRSQPAGKXKTSU-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCO2)CC[N@H+]1C ZINC000224547594 388666117 /nfs/dbraw/zinc/66/61/17/388666117.db2.gz OFNBQZFSERYFTR-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)CC[N@H+]1C ZINC000247981301 388671850 /nfs/dbraw/zinc/67/18/50/388671850.db2.gz IJRAFNAJZQNJDI-RQJABVFESA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178814 388621285 /nfs/dbraw/zinc/62/12/85/388621285.db2.gz OBCCBQVVVNSLAT-KWCYVHTRSA-N 2 1 249.402 1.343 20 0 BDADMP CC1(C)CC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000530219009 388631521 /nfs/dbraw/zinc/63/15/21/388631521.db2.gz IMQRHQXIYVXWFQ-CHWSQXEVSA-N 2 1 222.376 1.964 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000530220593 388633194 /nfs/dbraw/zinc/63/31/94/388633194.db2.gz BNXSZNWVQFIGPQ-OPQQBVKSSA-N 2 1 247.342 1.265 20 0 BDADMP C[C@@H]([NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000530224089 388634190 /nfs/dbraw/zinc/63/41/90/388634190.db2.gz KXXSHZQFDTYXCK-OJEZURLMSA-N 2 1 226.364 1.528 20 0 BDADMP CC(C)[C@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000530229339 388636538 /nfs/dbraw/zinc/63/65/38/388636538.db2.gz NIYGSRWBCLUWIO-ZIAGYGMSSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000530229339 388636540 /nfs/dbraw/zinc/63/65/40/388636540.db2.gz NIYGSRWBCLUWIO-ZIAGYGMSSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000530244508 388639194 /nfs/dbraw/zinc/63/91/94/388639194.db2.gz MAETXEIGKGDSJZ-DGCLKSJQSA-N 2 1 219.332 1.527 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223423237 388652619 /nfs/dbraw/zinc/65/26/19/388652619.db2.gz RPXNLRUFPYNCMS-IACUBPJLSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246822553 388653102 /nfs/dbraw/zinc/65/31/02/388653102.db2.gz ASHFCNFVAAOVJL-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246822553 388653105 /nfs/dbraw/zinc/65/31/05/388653105.db2.gz ASHFCNFVAAOVJL-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000246865161 388653414 /nfs/dbraw/zinc/65/34/14/388653414.db2.gz CFTNRZBZVWYNCJ-FRRDWIJNSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000246865161 388653415 /nfs/dbraw/zinc/65/34/15/388653415.db2.gz CFTNRZBZVWYNCJ-FRRDWIJNSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000246865161 388653417 /nfs/dbraw/zinc/65/34/17/388653417.db2.gz CFTNRZBZVWYNCJ-FRRDWIJNSA-N 2 1 239.407 1.541 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246999553 388656115 /nfs/dbraw/zinc/65/61/15/388656115.db2.gz KPBMKOMEARGXFF-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246999553 388656119 /nfs/dbraw/zinc/65/61/19/388656119.db2.gz KPBMKOMEARGXFF-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246999553 388656124 /nfs/dbraw/zinc/65/61/24/388656124.db2.gz KPBMKOMEARGXFF-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246999553 388656126 /nfs/dbraw/zinc/65/61/26/388656126.db2.gz KPBMKOMEARGXFF-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246999553 388656130 /nfs/dbraw/zinc/65/61/30/388656130.db2.gz KPBMKOMEARGXFF-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246999553 388656133 /nfs/dbraw/zinc/65/61/33/388656133.db2.gz KPBMKOMEARGXFF-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246999553 388656137 /nfs/dbraw/zinc/65/61/37/388656137.db2.gz KPBMKOMEARGXFF-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000246978693 388656376 /nfs/dbraw/zinc/65/63/76/388656376.db2.gz JOZOLLDQHBAEDZ-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000246978693 388656378 /nfs/dbraw/zinc/65/63/78/388656378.db2.gz JOZOLLDQHBAEDZ-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000246978693 388656380 /nfs/dbraw/zinc/65/63/80/388656380.db2.gz JOZOLLDQHBAEDZ-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000246978693 388656382 /nfs/dbraw/zinc/65/63/82/388656382.db2.gz JOZOLLDQHBAEDZ-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000246978693 388656384 /nfs/dbraw/zinc/65/63/84/388656384.db2.gz JOZOLLDQHBAEDZ-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000246978648 388656825 /nfs/dbraw/zinc/65/68/25/388656825.db2.gz JOZOLLDQHBAEDZ-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000246978648 388656828 /nfs/dbraw/zinc/65/68/28/388656828.db2.gz JOZOLLDQHBAEDZ-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000246978648 388656831 /nfs/dbraw/zinc/65/68/31/388656831.db2.gz JOZOLLDQHBAEDZ-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000246978648 388656833 /nfs/dbraw/zinc/65/68/33/388656833.db2.gz JOZOLLDQHBAEDZ-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000246978648 388656836 /nfs/dbraw/zinc/65/68/36/388656836.db2.gz JOZOLLDQHBAEDZ-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247140215 388659778 /nfs/dbraw/zinc/65/97/78/388659778.db2.gz SFIOXRLCQXVQNE-JHJVBQTASA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247140215 388659779 /nfs/dbraw/zinc/65/97/79/388659779.db2.gz SFIOXRLCQXVQNE-JHJVBQTASA-N 2 1 228.380 1.466 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249845499 388734691 /nfs/dbraw/zinc/73/46/91/388734691.db2.gz OIDIIGHFMAOXTC-MGPQQGTHSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000249845499 388734694 /nfs/dbraw/zinc/73/46/94/388734694.db2.gz OIDIIGHFMAOXTC-MGPQQGTHSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251015126 388743481 /nfs/dbraw/zinc/74/34/81/388743481.db2.gz WBANXAPLUPMFLU-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)CC)C1 ZINC000249321015 388717171 /nfs/dbraw/zinc/71/71/71/388717171.db2.gz GDVXPUZILIQSNS-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249321015 388717173 /nfs/dbraw/zinc/71/71/73/388717173.db2.gz GDVXPUZILIQSNS-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249321015 388717177 /nfs/dbraw/zinc/71/71/77/388717177.db2.gz GDVXPUZILIQSNS-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CC)C1 ZINC000249365720 388718493 /nfs/dbraw/zinc/71/84/93/388718493.db2.gz MJINACIOYSNHCZ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000249365720 388718496 /nfs/dbraw/zinc/71/84/96/388718496.db2.gz MJINACIOYSNHCZ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000249365720 388718498 /nfs/dbraw/zinc/71/84/98/388718498.db2.gz MJINACIOYSNHCZ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CSC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249487513 388723276 /nfs/dbraw/zinc/72/32/76/388723276.db2.gz XKZRZIXKOGZODC-QJPTWQEYSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249487513 388723278 /nfs/dbraw/zinc/72/32/78/388723278.db2.gz XKZRZIXKOGZODC-QJPTWQEYSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249487513 388723280 /nfs/dbraw/zinc/72/32/80/388723280.db2.gz XKZRZIXKOGZODC-QJPTWQEYSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249487513 388723282 /nfs/dbraw/zinc/72/32/82/388723282.db2.gz XKZRZIXKOGZODC-QJPTWQEYSA-N 2 1 246.420 1.125 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000249499300 388724345 /nfs/dbraw/zinc/72/43/45/388724345.db2.gz WVBDELDAFGVLOG-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000249499300 388724347 /nfs/dbraw/zinc/72/43/47/388724347.db2.gz WVBDELDAFGVLOG-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000249499300 388724350 /nfs/dbraw/zinc/72/43/50/388724350.db2.gz WVBDELDAFGVLOG-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC000230049390 388811644 /nfs/dbraw/zinc/81/16/44/388811644.db2.gz OPEVDMBEINCADF-FRRDWIJNSA-N 2 1 208.349 1.846 20 0 BDADMP c1cnn(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252703288 388771946 /nfs/dbraw/zinc/77/19/46/388771946.db2.gz QGOBGIVUSXNGAD-KGLIPLIRSA-N 2 1 248.374 1.490 20 0 BDADMP CC[C@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000555338004 388847526 /nfs/dbraw/zinc/84/75/26/388847526.db2.gz VNGBOZYZHRAYBQ-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(C)CCCC1 ZINC000565156452 388918754 /nfs/dbraw/zinc/91/87/54/388918754.db2.gz JMWMOFSNBAWDHD-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](C)C1(C)CCCC1 ZINC000565156452 388918743 /nfs/dbraw/zinc/91/87/43/388918743.db2.gz JMWMOFSNBAWDHD-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1(C)CCCC1 ZINC000565156452 388918746 /nfs/dbraw/zinc/91/87/46/388918746.db2.gz JMWMOFSNBAWDHD-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(C)CCCC1 ZINC000565156452 388918749 /nfs/dbraw/zinc/91/87/49/388918749.db2.gz JMWMOFSNBAWDHD-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1(C)CCCC1 ZINC000565156452 388918752 /nfs/dbraw/zinc/91/87/52/388918752.db2.gz JMWMOFSNBAWDHD-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CCOc1cccc(C[N@@H+](C)CCC[NH3+])n1 ZINC000564968815 388904096 /nfs/dbraw/zinc/90/40/96/388904096.db2.gz IEVOEAYNXMFPCR-UHFFFAOYSA-N 2 1 223.320 1.261 20 0 BDADMP CCOc1cccc(C[N@H+](C)CCC[NH3+])n1 ZINC000564968815 388904093 /nfs/dbraw/zinc/90/40/93/388904093.db2.gz IEVOEAYNXMFPCR-UHFFFAOYSA-N 2 1 223.320 1.261 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000565784158 388970100 /nfs/dbraw/zinc/97/01/00/388970100.db2.gz UXTXVZFZIIUEBM-RYUDHWBXSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCO)CC[N@@H+]1Cc1ccccc1 ZINC000268712579 389003551 /nfs/dbraw/zinc/00/35/51/389003551.db2.gz DYWYLXLLTIVCKS-UKRRQHHQSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCO)CC[N@H+]1Cc1ccccc1 ZINC000268712579 389003554 /nfs/dbraw/zinc/00/35/54/389003554.db2.gz DYWYLXLLTIVCKS-UKRRQHHQSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccncc1 ZINC000293637320 389016528 /nfs/dbraw/zinc/01/65/28/389016528.db2.gz KPNCXOSCIANZHQ-NWDGAFQWSA-N 2 1 221.348 1.930 20 0 BDADMP Cc1ccc(O)c(C[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000271822909 389025381 /nfs/dbraw/zinc/02/53/81/389025381.db2.gz NCKBDJIQEAVEHE-UHFFFAOYSA-N 2 1 247.342 1.447 20 0 BDADMP CC(C)n1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000271805977 389026505 /nfs/dbraw/zinc/02/65/05/389026505.db2.gz JYRQNDIWJJRHKL-UHFFFAOYSA-N 2 1 248.374 1.816 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000300056927 533416597 /nfs/dbraw/zinc/41/65/97/533416597.db2.gz WMSUZVHOTOKHIO-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CCc1cc(N2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000070458527 132230921 /nfs/dbraw/zinc/23/09/21/132230921.db2.gz KXFHOHAXGSSVLD-JTQLQIEISA-N 2 1 220.320 1.275 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C(C)C)C1 ZINC000350216188 133948287 /nfs/dbraw/zinc/94/82/87/133948287.db2.gz PBKLWSUDBBUUAK-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@H](F)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000352023866 134039852 /nfs/dbraw/zinc/03/98/52/134039852.db2.gz BCYNKUQHSRJUHJ-LBPRGKRZSA-N 2 1 246.370 1.513 20 0 BDADMP C[C@H](F)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000352023866 134039853 /nfs/dbraw/zinc/03/98/53/134039853.db2.gz BCYNKUQHSRJUHJ-LBPRGKRZSA-N 2 1 246.370 1.513 20 0 BDADMP C[C@@H](F)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000352023865 134040072 /nfs/dbraw/zinc/04/00/72/134040072.db2.gz BCYNKUQHSRJUHJ-GFCCVEGCSA-N 2 1 246.370 1.513 20 0 BDADMP C[C@@H](F)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000352023865 134040073 /nfs/dbraw/zinc/04/00/73/134040073.db2.gz BCYNKUQHSRJUHJ-GFCCVEGCSA-N 2 1 246.370 1.513 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC000336113247 134087184 /nfs/dbraw/zinc/08/71/84/134087184.db2.gz RQPLJCMOAGIEQV-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@@H]3CCOC3)C2)C1 ZINC000336113247 134087185 /nfs/dbraw/zinc/08/71/85/134087185.db2.gz RQPLJCMOAGIEQV-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@@H]3CCOC3)C2)C1 ZINC000336113247 134087186 /nfs/dbraw/zinc/08/71/86/134087186.db2.gz RQPLJCMOAGIEQV-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@H]([NH3+])CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000336193760 134124729 /nfs/dbraw/zinc/12/47/29/134124729.db2.gz JLUFRLBHIRSITO-NSHDSACASA-N 2 1 247.342 1.202 20 0 BDADMP C[C@H]([NH3+])CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000336193760 134124730 /nfs/dbraw/zinc/12/47/30/134124730.db2.gz JLUFRLBHIRSITO-NSHDSACASA-N 2 1 247.342 1.202 20 0 BDADMP Cc1ccsc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000168800806 134247074 /nfs/dbraw/zinc/24/70/74/134247074.db2.gz LGXNCPHNOHSUTL-JTQLQIEISA-N 2 1 210.346 1.980 20 0 BDADMP Cc1ccsc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000168800806 134247075 /nfs/dbraw/zinc/24/70/75/134247075.db2.gz LGXNCPHNOHSUTL-JTQLQIEISA-N 2 1 210.346 1.980 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000217921567 134250830 /nfs/dbraw/zinc/25/08/30/134250830.db2.gz KHOTZERNNRBJNQ-GWCFXTLKSA-N 2 1 219.332 1.559 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218636178 134257961 /nfs/dbraw/zinc/25/79/61/134257961.db2.gz MDGOXEAIPAVCSB-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218636178 134257962 /nfs/dbraw/zinc/25/79/62/134257962.db2.gz MDGOXEAIPAVCSB-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCO2)C1 ZINC000176284536 134290279 /nfs/dbraw/zinc/29/02/79/134290279.db2.gz CMBPLRFARNKODR-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000176284536 134290280 /nfs/dbraw/zinc/29/02/80/134290280.db2.gz CMBPLRFARNKODR-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000176284536 134290281 /nfs/dbraw/zinc/29/02/81/134290281.db2.gz CMBPLRFARNKODR-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000219866401 134291991 /nfs/dbraw/zinc/29/19/91/134291991.db2.gz FQHQKMIMLCIRPO-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCOC1 ZINC000222017102 134329516 /nfs/dbraw/zinc/32/95/16/134329516.db2.gz AJFPITIXZSCPTK-DGAVXFQQSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCOC1 ZINC000222017102 134329517 /nfs/dbraw/zinc/32/95/17/134329517.db2.gz AJFPITIXZSCPTK-DGAVXFQQSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@@H+]1C ZINC000181522250 134337404 /nfs/dbraw/zinc/33/74/04/134337404.db2.gz XFAPHODHPWZOMX-UPJWGTAASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@H+]1C ZINC000181522250 134337405 /nfs/dbraw/zinc/33/74/05/134337405.db2.gz XFAPHODHPWZOMX-UPJWGTAASA-N 2 1 242.407 1.856 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223504797 134340005 /nfs/dbraw/zinc/34/00/05/134340005.db2.gz YVUYXBOQAJEYMW-DGAVXFQQSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000223819179 134343191 /nfs/dbraw/zinc/34/31/91/134343191.db2.gz VRKUISYUWHJMCD-LLVKDONJSA-N 2 1 236.363 1.935 20 0 BDADMP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1CCSC1 ZINC000224296468 134345898 /nfs/dbraw/zinc/34/58/98/134345898.db2.gz WLRVCIZDMCRGMK-JTQLQIEISA-N 2 1 216.394 1.669 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000224438596 134347146 /nfs/dbraw/zinc/34/71/46/134347146.db2.gz VXVZXHDGGMDKNR-JTQLQIEISA-N 2 1 236.306 1.076 20 0 BDADMP Cc1ccncc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227420724 134380820 /nfs/dbraw/zinc/38/08/20/134380820.db2.gz SVATXGIEJGOGIO-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000227420724 134380821 /nfs/dbraw/zinc/38/08/21/134380821.db2.gz SVATXGIEJGOGIO-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227420724 134380822 /nfs/dbraw/zinc/38/08/22/134380822.db2.gz SVATXGIEJGOGIO-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227420724 134380823 /nfs/dbraw/zinc/38/08/23/134380823.db2.gz SVATXGIEJGOGIO-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@H](O)CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227565394 134383609 /nfs/dbraw/zinc/38/36/09/134383609.db2.gz FTQQWKNBHRXNOX-GDLCADMTSA-N 2 1 234.343 1.882 20 0 BDADMP Cc1cc(NCCC[NH+]2CCCC2)nc(C)[nH+]1 ZINC000062986979 134473153 /nfs/dbraw/zinc/47/31/53/134473153.db2.gz NOBJQSXNAKOZPD-UHFFFAOYSA-N 2 1 234.347 1.991 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)O1 ZINC000248899803 135025919 /nfs/dbraw/zinc/02/59/19/135025919.db2.gz KQOHLIPCNKAQQI-YIYPIFLZSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)O1 ZINC000248899803 135025920 /nfs/dbraw/zinc/02/59/20/135025920.db2.gz KQOHLIPCNKAQQI-YIYPIFLZSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)O1 ZINC000248899803 135025921 /nfs/dbraw/zinc/02/59/21/135025921.db2.gz KQOHLIPCNKAQQI-YIYPIFLZSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)O1 ZINC000248899803 135025922 /nfs/dbraw/zinc/02/59/22/135025922.db2.gz KQOHLIPCNKAQQI-YIYPIFLZSA-N 2 1 240.391 1.968 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250493261 135056563 /nfs/dbraw/zinc/05/65/63/135056563.db2.gz IWGHKVDEDLWTBD-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250871801 135060705 /nfs/dbraw/zinc/06/07/05/135060705.db2.gz SOFOEWPWPHHJPR-YNEHKIRRSA-N 3 1 225.380 1.236 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251162532 135065469 /nfs/dbraw/zinc/06/54/69/135065469.db2.gz CJWZJWKVFHNYDL-SDDRHHMPSA-N 2 1 214.353 1.471 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251191416 135065779 /nfs/dbraw/zinc/06/57/79/135065779.db2.gz JCZKTYSNMAVNGY-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251191416 135065781 /nfs/dbraw/zinc/06/57/81/135065781.db2.gz JCZKTYSNMAVNGY-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C[C@H]1C ZINC000251664906 135073216 /nfs/dbraw/zinc/07/32/16/135073216.db2.gz GFBLZZVYATVVFG-NDBYEHHHSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCO1 ZINC000251688810 135074458 /nfs/dbraw/zinc/07/44/58/135074458.db2.gz WJQADPZNLFFCHD-RFQIPJPRSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCO1 ZINC000251688810 135074459 /nfs/dbraw/zinc/07/44/59/135074459.db2.gz WJQADPZNLFFCHD-RFQIPJPRSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@H]1CCCO1 ZINC000251718742 135075578 /nfs/dbraw/zinc/07/55/78/135075578.db2.gz BXRHWIHVIRVCFW-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP CC1(C)CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000086435880 135084029 /nfs/dbraw/zinc/08/40/29/135084029.db2.gz NVYAYWRJOIWTQV-UHFFFAOYSA-N 2 1 214.353 1.474 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000086435602 135084833 /nfs/dbraw/zinc/08/48/33/135084833.db2.gz DVBDTKYGNLKXDM-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)CCOCC[NH3+] ZINC000086440098 135085520 /nfs/dbraw/zinc/08/55/20/135085520.db2.gz LYHFYUHIOLIMDH-NSHDSACASA-N 2 1 202.342 1.330 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCSC1 ZINC000252433318 135088874 /nfs/dbraw/zinc/08/88/74/135088874.db2.gz CAXPRGPKDNJDJH-MNOVXSKESA-N 2 1 216.394 1.797 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCSC1 ZINC000252433318 135088876 /nfs/dbraw/zinc/08/88/76/135088876.db2.gz CAXPRGPKDNJDJH-MNOVXSKESA-N 2 1 216.394 1.797 20 0 BDADMP CC(C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252560473 135091629 /nfs/dbraw/zinc/09/16/29/135091629.db2.gz VTQRXDVEGFMFTA-RYUDHWBXSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252560473 135091631 /nfs/dbraw/zinc/09/16/31/135091631.db2.gz VTQRXDVEGFMFTA-RYUDHWBXSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000086728674 135095177 /nfs/dbraw/zinc/09/51/77/135095177.db2.gz LCNPRQYQWJESRW-OCCSQVGLSA-N 2 1 218.344 1.878 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667471 135096094 /nfs/dbraw/zinc/09/60/94/135096094.db2.gz KCEHPBQMVPUTID-RYUDHWBXSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667471 135096096 /nfs/dbraw/zinc/09/60/96/135096096.db2.gz KCEHPBQMVPUTID-RYUDHWBXSA-N 2 1 234.347 1.137 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252690457 135096485 /nfs/dbraw/zinc/09/64/85/135096485.db2.gz UZMLCYFRVLLQKE-ZDEQEGDKSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252690457 135096486 /nfs/dbraw/zinc/09/64/86/135096486.db2.gz UZMLCYFRVLLQKE-ZDEQEGDKSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252703210 135098015 /nfs/dbraw/zinc/09/80/15/135098015.db2.gz KQNWNHQFQMWAFK-FVCCEPFGSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252710920 135099318 /nfs/dbraw/zinc/09/93/18/135099318.db2.gz IAEXQGAHTXVWEK-FRRDWIJNSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252709399 135099552 /nfs/dbraw/zinc/09/95/52/135099552.db2.gz CUIOBNKJIFIBLB-UJPOAAIJSA-N 2 1 210.365 1.961 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252713193 135100534 /nfs/dbraw/zinc/10/05/34/135100534.db2.gz OOMSTKVRJUOSMP-QJPTWQEYSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715681 135101698 /nfs/dbraw/zinc/10/16/98/135101698.db2.gz WJSBJMMLUQHNHA-UPJWGTAASA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000252731462 135104870 /nfs/dbraw/zinc/10/48/70/135104870.db2.gz PZWNGVYVTPOUAK-FRRDWIJNSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000252731462 135104871 /nfs/dbraw/zinc/10/48/71/135104871.db2.gz PZWNGVYVTPOUAK-FRRDWIJNSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252759513 135107717 /nfs/dbraw/zinc/10/77/17/135107717.db2.gz LLHPGXSPCFPGKC-CYDGBPFRSA-N 2 1 226.364 1.362 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]12 ZINC000261594310 135109728 /nfs/dbraw/zinc/10/97/28/135109728.db2.gz XLXOFCCMXQRUHU-YNEHKIRRSA-N 2 1 217.316 1.251 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252869959 135113835 /nfs/dbraw/zinc/11/38/35/135113835.db2.gz SCBUIJYRLYLVKS-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP COC[C@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262009406 135114814 /nfs/dbraw/zinc/11/48/14/135114814.db2.gz UZNGBRMZPFPEAL-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252876684 135115107 /nfs/dbraw/zinc/11/51/07/135115107.db2.gz WHVLSIFCVYFHJM-ZDEQEGDKSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@@H+](CCOCC1CC1)CC[C@@H]1CC[NH2+]C1 ZINC000087399849 135129044 /nfs/dbraw/zinc/12/90/44/135129044.db2.gz MWXUVWUEPQVMJN-LBPRGKRZSA-N 2 1 226.364 1.344 20 0 BDADMP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000258670851 135132860 /nfs/dbraw/zinc/13/28/60/135132860.db2.gz AFAFVKDUXPOXTK-UHFFFAOYSA-N 2 1 208.305 1.522 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257641399 135137363 /nfs/dbraw/zinc/13/73/63/135137363.db2.gz AZZBCXLCSLVXBO-NWDGAFQWSA-N 2 1 226.389 1.425 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257670051 135138117 /nfs/dbraw/zinc/13/81/17/135138117.db2.gz DNUWYSKSYMAQLS-CQSZACIVSA-N 2 1 231.343 1.970 20 0 BDADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@H]1CCCCO1 ZINC000257667426 135138309 /nfs/dbraw/zinc/13/83/09/135138309.db2.gz HPVYMUNJSOCJIJ-ZIAGYGMSSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@H]1CCCCO1 ZINC000257667426 135138311 /nfs/dbraw/zinc/13/83/11/135138311.db2.gz HPVYMUNJSOCJIJ-ZIAGYGMSSA-N 2 1 238.375 1.774 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257687973 135139264 /nfs/dbraw/zinc/13/92/64/135139264.db2.gz MSURDEXODRCFPJ-AWEZNQCLSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257687973 135139265 /nfs/dbraw/zinc/13/92/65/135139265.db2.gz MSURDEXODRCFPJ-AWEZNQCLSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257707642 135139695 /nfs/dbraw/zinc/13/96/95/135139695.db2.gz RRCHQUYUZKNANQ-UHFFFAOYSA-N 2 1 245.370 1.966 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCCO1 ZINC000257742541 135141898 /nfs/dbraw/zinc/14/18/98/135141898.db2.gz ZDVHIDJLPDZWOM-KBPBESRZSA-N 2 1 238.375 1.631 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000087478938 135144132 /nfs/dbraw/zinc/14/41/32/135144132.db2.gz OEWDKMXAAWOSJK-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC[NH3+] ZINC000261531086 135158665 /nfs/dbraw/zinc/15/86/65/135158665.db2.gz FDNUJEZXVOEUGO-AAEUAGOBSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[NH3+] ZINC000261531086 135158667 /nfs/dbraw/zinc/15/86/67/135158667.db2.gz FDNUJEZXVOEUGO-AAEUAGOBSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]1C[N@@H+](CCOCC[NH3+])C(C)(C)C1 ZINC000261531282 135159545 /nfs/dbraw/zinc/15/95/45/135159545.db2.gz FZIDKLWBWMDJDM-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261531445 135159882 /nfs/dbraw/zinc/15/98/82/135159882.db2.gz GODWNTBNSCIRMF-NEPJUHHUSA-N 2 1 210.365 1.964 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261531650 135160511 /nfs/dbraw/zinc/16/05/11/135160511.db2.gz HJTDWPXNFWLQQM-SECBINFHSA-N 2 1 222.254 1.624 20 0 BDADMP Cc1cccnc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087647205 135161450 /nfs/dbraw/zinc/16/14/50/135161450.db2.gz WYSKEABXYYQPOZ-GFCCVEGCSA-N 2 1 219.332 1.479 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261532735 135163558 /nfs/dbraw/zinc/16/35/58/135163558.db2.gz DJWXGWALWMAJOS-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CCc1nc(NC[C@H](C)[NH2+]C)cc(C)[nH+]1 ZINC000261534409 135167221 /nfs/dbraw/zinc/16/72/21/135167221.db2.gz MHFGSRWMJBKQQQ-VIFPVBQESA-N 2 1 208.309 1.367 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000261534688 135167882 /nfs/dbraw/zinc/16/78/82/135167882.db2.gz MXSSEKWTNDCVIZ-NEPJUHHUSA-N 2 1 208.349 1.860 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000261534544 135168210 /nfs/dbraw/zinc/16/82/10/135168210.db2.gz RZDXTAGHZWAMMM-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534517 135168241 /nfs/dbraw/zinc/16/82/41/135168241.db2.gz RRCUGPKUYSISFA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000261535824 135170687 /nfs/dbraw/zinc/17/06/87/135170687.db2.gz PHZHYRZJNBMEFY-OUJBWJOFSA-N 2 1 204.317 1.999 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261538454 135176646 /nfs/dbraw/zinc/17/66/46/135176646.db2.gz YEMAZCQPBLFFRI-NSHDSACASA-N 2 1 225.361 1.622 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261538454 135176647 /nfs/dbraw/zinc/17/66/47/135176647.db2.gz YEMAZCQPBLFFRI-NSHDSACASA-N 2 1 225.361 1.622 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261539341 135178040 /nfs/dbraw/zinc/17/80/40/135178040.db2.gz CEIHLMAIGROKGF-AGIUHOORSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@H](C3CC3)C2)CC[NH2+]C1 ZINC000261543685 135185021 /nfs/dbraw/zinc/18/50/21/135185021.db2.gz HXWMLVPRKRPQGX-QWHCGFSZSA-N 2 1 208.349 1.718 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000261544205 135185067 /nfs/dbraw/zinc/18/50/67/135185067.db2.gz IOYLIOOFQFWZFS-CYBMUJFWSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261544374 135185229 /nfs/dbraw/zinc/18/52/29/135185229.db2.gz DVLCVNPOGCKNSJ-UHTWSYAYSA-N 2 1 235.331 1.461 20 0 BDADMP CCc1nc(N2CCC[C@H](C[NH2+]C)C2)cc(C)[nH+]1 ZINC000261553404 135192802 /nfs/dbraw/zinc/19/28/02/135192802.db2.gz AHNPVLFLEDHLRR-GFCCVEGCSA-N 2 1 248.374 1.783 20 0 BDADMP CC[C@H]1C[C@H](C[N@H+](C)CC[NH2+]C)CCO1 ZINC000261553951 135194075 /nfs/dbraw/zinc/19/40/75/135194075.db2.gz SYFLJJGUIAPESF-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@H]1C[C@H](C[N@@H+](C)CC[NH2+]C)CCO1 ZINC000261553951 135194076 /nfs/dbraw/zinc/19/40/76/135194076.db2.gz SYFLJJGUIAPESF-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261560524 135201339 /nfs/dbraw/zinc/20/13/39/135201339.db2.gz UTAQLBJGYTWVCI-UBHSHLNASA-N 2 1 231.343 1.559 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261561526 135202427 /nfs/dbraw/zinc/20/24/27/135202427.db2.gz ARMKKNRHKHUULT-LBPRGKRZSA-N 2 1 237.734 1.925 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261563816 135205616 /nfs/dbraw/zinc/20/56/16/135205616.db2.gz XLSXJIQCWKAXSD-CYBMUJFWSA-N 2 1 233.359 1.868 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564626 135206790 /nfs/dbraw/zinc/20/67/90/135206790.db2.gz XTWVIVHTFUOKRF-ZDUSSCGKSA-N 2 1 236.363 1.208 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261564796 135207258 /nfs/dbraw/zinc/20/72/58/135207258.db2.gz CSAKKLIETVKQLK-GFCCVEGCSA-N 2 1 239.388 1.931 20 0 BDADMP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000261570677 135212487 /nfs/dbraw/zinc/21/24/87/135212487.db2.gz HBHLUTOPLQUOLQ-NEPJUHHUSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000261570677 135212488 /nfs/dbraw/zinc/21/24/88/135212488.db2.gz HBHLUTOPLQUOLQ-NEPJUHHUSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261573404 135215719 /nfs/dbraw/zinc/21/57/19/135215719.db2.gz IUFKMNGLDPXLOR-AAEUAGOBSA-N 2 1 219.332 1.813 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000261577020 135218698 /nfs/dbraw/zinc/21/86/98/135218698.db2.gz KTNXOGHHROCEPJ-SNVBAGLBSA-N 2 1 209.293 1.235 20 0 BDADMP Cc1cccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000261578203 135219000 /nfs/dbraw/zinc/21/90/00/135219000.db2.gz LOHOTBJSMVRYQX-NEPJUHHUSA-N 2 1 217.316 1.436 20 0 BDADMP CN(C)c1nc(NCC2([NH3+])CCCCC2)cc[nH+]1 ZINC000261578084 135219185 /nfs/dbraw/zinc/21/91/85/135219185.db2.gz OUOGXUAOUILFAM-UHFFFAOYSA-N 2 1 249.362 1.616 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000261580064 135220720 /nfs/dbraw/zinc/22/07/20/135220720.db2.gz MQHNJQGFDBSRBT-GHMZBOCLSA-N 2 1 214.353 1.349 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261584040 135224778 /nfs/dbraw/zinc/22/47/78/135224778.db2.gz SAOPIEFKHCQPEO-UBHSHLNASA-N 2 1 246.354 1.864 20 0 BDADMP Cc1cccc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC000261587279 135228153 /nfs/dbraw/zinc/22/81/53/135228153.db2.gz RQFQDYVGXWAGFZ-TUAOUCFPSA-N 2 1 217.316 1.564 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261591453 135231755 /nfs/dbraw/zinc/23/17/55/135231755.db2.gz VJTJLCVPCDSZIU-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261591453 135231757 /nfs/dbraw/zinc/23/17/57/135231757.db2.gz VJTJLCVPCDSZIU-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000261596816 135236160 /nfs/dbraw/zinc/23/61/60/135236160.db2.gz YXOPRGUBMRSKJL-VIFPVBQESA-N 2 1 226.345 1.537 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000261546569 135238763 /nfs/dbraw/zinc/23/87/63/135238763.db2.gz HAGOYBDCLXCZLJ-MRVWCRGKSA-N 2 1 234.318 1.995 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261546967 135239559 /nfs/dbraw/zinc/23/95/59/135239559.db2.gz HORXWZHPOYBBGG-BZPMIXESSA-N 2 1 231.343 1.826 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261546967 135239560 /nfs/dbraw/zinc/23/95/60/135239560.db2.gz HORXWZHPOYBBGG-BZPMIXESSA-N 2 1 231.343 1.826 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC000164402280 135240508 /nfs/dbraw/zinc/24/05/08/135240508.db2.gz TULZYEMYDRUIAB-GARJFASQSA-N 2 1 200.301 1.405 20 0 BDADMP CC[C@@]1(C)COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261644351 135242461 /nfs/dbraw/zinc/24/24/61/135242461.db2.gz AOJSWMVHCPLJAA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@]1(C)COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261644351 135242462 /nfs/dbraw/zinc/24/24/62/135242462.db2.gz AOJSWMVHCPLJAA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+][C@H](C)Cc1noc(C[N@H+](C)C(C)C)n1 ZINC000261701720 135246693 /nfs/dbraw/zinc/24/66/93/135246693.db2.gz IBXRULGAVDTPJB-SECBINFHSA-N 2 1 226.324 1.060 20 0 BDADMP C[NH2+][C@H](C)Cc1noc(C[N@@H+](C)C(C)C)n1 ZINC000261701720 135246694 /nfs/dbraw/zinc/24/66/94/135246694.db2.gz IBXRULGAVDTPJB-SECBINFHSA-N 2 1 226.324 1.060 20 0 BDADMP CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261731085 135248391 /nfs/dbraw/zinc/24/83/91/135248391.db2.gz HECVDVHFVAHRKL-ZIAGYGMSSA-N 2 1 237.391 1.155 20 0 BDADMP CC(C)[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000261797704 135253530 /nfs/dbraw/zinc/25/35/30/135253530.db2.gz GQNHUTZXLCIDQK-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000261797704 135253532 /nfs/dbraw/zinc/25/35/32/135253532.db2.gz GQNHUTZXLCIDQK-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@]1(C)COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261813323 135255649 /nfs/dbraw/zinc/25/56/49/135255649.db2.gz HUQFQBFHJUOKQN-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261825215 135255847 /nfs/dbraw/zinc/25/58/47/135255847.db2.gz IPVDXDZERZZACS-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261831498 135256013 /nfs/dbraw/zinc/25/60/13/135256013.db2.gz JBVKQFVAPFAVNR-MNOVXSKESA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866378 135258013 /nfs/dbraw/zinc/25/80/13/135258013.db2.gz NZXYAMVBEWTCDS-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866400 135258194 /nfs/dbraw/zinc/25/81/94/135258194.db2.gz NZXYAMVBEWTCDS-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H](O)C(C)(C)C2)CC[NH2+]C1 ZINC000261867826 135258432 /nfs/dbraw/zinc/25/84/32/135258432.db2.gz ODHSSCITLFOKPP-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H](CNC1=[NH+]CCCN1)[N@H+]1CCCC[C@@H]1C ZINC000261872600 135258942 /nfs/dbraw/zinc/25/89/42/135258942.db2.gz PDCCTNXEGVWDJD-RYUDHWBXSA-N 2 1 238.379 1.188 20 0 BDADMP COC1CCC([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261909180 135261661 /nfs/dbraw/zinc/26/16/61/135261661.db2.gz XTZSMOBUVVTQJD-RUXDESIVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000261947285 135264846 /nfs/dbraw/zinc/26/48/46/135264846.db2.gz FMQXIYLBHSKBJD-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP Cn1c2ccccc2[nH+]c1NCC[C@@H]1CC[NH2+]C1 ZINC000079048491 135267839 /nfs/dbraw/zinc/26/78/39/135267839.db2.gz NLXOPSQEFLIACM-NSHDSACASA-N 2 1 244.342 1.985 20 0 BDADMP C[C@@H]1[C@H](C)[N@@H+](CC2CC[NH2+]CC2)CCN1C ZINC000261975195 135268910 /nfs/dbraw/zinc/26/89/10/135268910.db2.gz QSIJKTDHNUASNU-NEPJUHHUSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@]1(C[N@H+]2CCc3cc[nH]c(=O)c3C2)CC[NH2+]C1 ZINC000262012260 135272015 /nfs/dbraw/zinc/27/20/15/135272015.db2.gz MHWNSVFGRRFGBJ-AWEZNQCLSA-N 2 1 247.342 1.145 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044556 135275511 /nfs/dbraw/zinc/27/55/11/135275511.db2.gz PNRVUJZZESORPO-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOC1 ZINC000262050284 135275521 /nfs/dbraw/zinc/27/55/21/135275521.db2.gz ZNSRLGQZKNANRE-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOC1 ZINC000262050284 135275523 /nfs/dbraw/zinc/27/55/23/135275523.db2.gz ZNSRLGQZKNANRE-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262042323 135275750 /nfs/dbraw/zinc/27/57/50/135275750.db2.gz YRGRVZYPRBIHGD-RXGFPQBGSA-N 2 1 224.348 1.142 20 0 BDADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCOC1 ZINC000262071220 135277152 /nfs/dbraw/zinc/27/71/52/135277152.db2.gz SBYIHKMVBXOGEV-ZDUSSCGKSA-N 2 1 238.375 1.489 20 0 BDADMP C[N@@H+](CCOCC(F)F)[C@H]1CCC[NH2+]CC1 ZINC000262078567 135278200 /nfs/dbraw/zinc/27/82/00/135278200.db2.gz DPKZXKMRYAOIJX-JTQLQIEISA-N 2 1 236.306 1.342 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000262144492 135281598 /nfs/dbraw/zinc/28/15/98/135281598.db2.gz ZKHSEAZLCJCXFU-DGAVXFQQSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@]1(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000262144492 135281600 /nfs/dbraw/zinc/28/16/00/135281600.db2.gz ZKHSEAZLCJCXFU-DGAVXFQQSA-N 2 1 237.391 1.045 20 0 BDADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000342598972 135300875 /nfs/dbraw/zinc/30/08/75/135300875.db2.gz QRLYMCPNOPCIDD-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000342598972 135300876 /nfs/dbraw/zinc/30/08/76/135300876.db2.gz QRLYMCPNOPCIDD-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NCCC[NH+](C)C(C)C)C1 ZINC000343153630 135366536 /nfs/dbraw/zinc/36/65/36/135366536.db2.gz DOGZDUYSWFMMMR-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@H](NCCC[N@H+](C)C(C)C)C1 ZINC000343153630 135366538 /nfs/dbraw/zinc/36/65/38/135366538.db2.gz DOGZDUYSWFMMMR-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@H](NCCC[N@@H+](C)C(C)C)C1 ZINC000343153630 135366540 /nfs/dbraw/zinc/36/65/40/135366540.db2.gz DOGZDUYSWFMMMR-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H]1C[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309833004 135444501 /nfs/dbraw/zinc/44/45/01/135444501.db2.gz ZCVQLBMGYGRBIP-VHSXEESVSA-N 2 1 239.388 1.950 20 0 BDADMP COC(=O)CN(C)CCCCn1cc[nH+]c1C ZINC000348076560 136033827 /nfs/dbraw/zinc/03/38/27/136033827.db2.gz OBZWCYDLUNSOTN-UHFFFAOYSA-N 2 1 239.319 1.077 20 0 BDADMP Oc1cccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000335325859 136051713 /nfs/dbraw/zinc/05/17/13/136051713.db2.gz CQYOWDLDHCBGLS-LLVKDONJSA-N 2 1 243.310 1.762 20 0 BDADMP Cn1ccnc1C[N@@H+](C)CCCn1ccnc1 ZINC000162306840 397778107 /nfs/dbraw/zinc/77/81/07/397778107.db2.gz ZSGDUCVFXWCFIL-UHFFFAOYSA-N 2 1 233.319 1.139 20 0 BDADMP CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCCC1 ZINC000382608471 397965046 /nfs/dbraw/zinc/96/50/46/397965046.db2.gz WORBABPFJWFGTC-CYBMUJFWSA-N 2 1 242.407 2.000 20 0 BDADMP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649545674 397936301 /nfs/dbraw/zinc/93/63/01/397936301.db2.gz NJKFGRMXUXVQMU-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NCC[C@@H](C)[NH3+])c2c1C ZINC000647704692 397954082 /nfs/dbraw/zinc/95/40/82/397954082.db2.gz FZLWYZLGTRVOGQ-SSDOTTSWSA-N 2 1 233.319 1.724 20 0 BDADMP CC[N@H+]1CCN(C[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000649567611 397959214 /nfs/dbraw/zinc/95/92/14/397959214.db2.gz XXJTUGMUJRHVMX-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000649567611 397959215 /nfs/dbraw/zinc/95/92/15/397959215.db2.gz XXJTUGMUJRHVMX-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000649567611 397959217 /nfs/dbraw/zinc/95/92/17/397959217.db2.gz XXJTUGMUJRHVMX-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C)CC1(C)C ZINC000649572003 397959640 /nfs/dbraw/zinc/95/96/40/397959640.db2.gz GIUXUAQSKBVWCY-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1cn[nH]c1 ZINC000390533095 397895440 /nfs/dbraw/zinc/89/54/40/397895440.db2.gz NCYQZNGMKYAYLV-PWSUYJOCSA-N 2 1 222.336 1.154 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1cn[nH]c1 ZINC000390533095 397895442 /nfs/dbraw/zinc/89/54/42/397895442.db2.gz NCYQZNGMKYAYLV-PWSUYJOCSA-N 2 1 222.336 1.154 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)[C@@H](C)C[N@H+]1C ZINC000649572917 397963878 /nfs/dbraw/zinc/96/38/78/397963878.db2.gz NGTRDOBUJWEZMB-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)[C@@H](C)C[NH+]1C ZINC000649572917 397963881 /nfs/dbraw/zinc/96/38/81/397963881.db2.gz NGTRDOBUJWEZMB-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2C)[C@@H](C)C[NH+]1C ZINC000649572917 397963884 /nfs/dbraw/zinc/96/38/84/397963884.db2.gz NGTRDOBUJWEZMB-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP COc1ccncc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000379764027 397990977 /nfs/dbraw/zinc/99/09/77/397990977.db2.gz GLMWZTWRGBXCFG-WDEREUQCSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000379764027 397990982 /nfs/dbraw/zinc/99/09/82/397990982.db2.gz GLMWZTWRGBXCFG-WDEREUQCSA-N 2 1 235.331 1.259 20 0 BDADMP CCc1nc(N[C@H]2CC[NH2+][C@H](C)C2)cc(C)[nH+]1 ZINC000383071123 397997492 /nfs/dbraw/zinc/99/74/92/397997492.db2.gz QAVWUEFFCKMUSZ-KOLCDFICSA-N 2 1 234.347 1.322 20 0 BDADMP C[C@H]1CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000383194384 398010030 /nfs/dbraw/zinc/01/00/30/398010030.db2.gz SRHLGPWKPZOEAP-REWJHTLYSA-N 2 1 240.391 1.610 20 0 BDADMP CCc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)nc(C)[nH+]1 ZINC000234157296 398023203 /nfs/dbraw/zinc/02/32/03/398023203.db2.gz PQSIJCPODBCSFB-KWQFWETISA-N 2 1 220.320 1.131 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000647934806 398034194 /nfs/dbraw/zinc/03/41/94/398034194.db2.gz REJIQZRGBQEURW-TZMCWYRMSA-N 2 1 233.359 1.828 20 0 BDADMP CCC[C@@H](C)[C@H](CO)[NH2+]CCc1c[nH+]cn1C ZINC000649691642 398038437 /nfs/dbraw/zinc/03/84/37/398038437.db2.gz LXHGSNZOWPBORW-YPMHNXCESA-N 2 1 239.363 1.349 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000414799351 398041264 /nfs/dbraw/zinc/04/12/64/398041264.db2.gz REBZHZOOVOWTLN-YPMHNXCESA-N 2 1 244.342 1.551 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414851177 398059545 /nfs/dbraw/zinc/05/95/45/398059545.db2.gz OURGNAWYFNNXMW-XDQVBPFNSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414853934 398061142 /nfs/dbraw/zinc/06/11/42/398061142.db2.gz LNCOVSVLUGYGAB-AGIUHOORSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000384396830 398084964 /nfs/dbraw/zinc/08/49/64/398084964.db2.gz OMFBCNYQMIVTFS-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@@H+](CCc1cncn1C)[C@@H]1CCCOC1 ZINC000649755061 398085552 /nfs/dbraw/zinc/08/55/52/398085552.db2.gz DEPSRRWYCIXXLU-CYBMUJFWSA-N 2 1 237.347 1.464 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000121344216 398087930 /nfs/dbraw/zinc/08/79/30/398087930.db2.gz NZUMGIFRDMEFRV-DDHJBXDOSA-N 2 1 214.353 1.076 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414829648 398050849 /nfs/dbraw/zinc/05/08/49/398050849.db2.gz MYGJRIHPKATSQT-BDAKNGLRSA-N 2 1 224.270 1.917 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414838129 398052038 /nfs/dbraw/zinc/05/20/38/398052038.db2.gz YQLBKQZFDGEWGU-RYUDHWBXSA-N 2 1 214.353 1.389 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414838131 398052376 /nfs/dbraw/zinc/05/23/76/398052376.db2.gz YQLBKQZFDGEWGU-VXGBXAGGSA-N 2 1 214.353 1.389 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000393915703 398125064 /nfs/dbraw/zinc/12/50/64/398125064.db2.gz SRDFDBKAXUCHOF-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662276261 487528942 /nfs/dbraw/zinc/52/89/42/487528942.db2.gz IHFOQFKNFHNAMY-WRWGMCAJSA-N 2 1 210.365 1.996 20 0 BDADMP COCCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000120411513 174215463 /nfs/dbraw/zinc/21/54/63/174215463.db2.gz LKKOHVOQPRFJOJ-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP COCCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000120411513 174215464 /nfs/dbraw/zinc/21/54/64/174215464.db2.gz LKKOHVOQPRFJOJ-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CO[C@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308880707 487571371 /nfs/dbraw/zinc/57/13/71/487571371.db2.gz CWTDPTZTFMFPEW-SNVBAGLBSA-N 2 1 212.337 1.238 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000238330540 487572891 /nfs/dbraw/zinc/57/28/91/487572891.db2.gz VPYBCACWFKIVHG-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP CC/C=C\C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655773368 487588552 /nfs/dbraw/zinc/58/85/52/487588552.db2.gz XHOJSQNPECIALK-VQTKUKTRSA-N 2 1 238.375 1.796 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662264598 409560444 /nfs/dbraw/zinc/56/04/44/409560444.db2.gz DXMPPBOZSHPHLN-CRWXNKLISA-N 2 1 220.360 1.718 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267411 409568990 /nfs/dbraw/zinc/56/89/90/409568990.db2.gz VEZVTBBFIQCCDV-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267415 409570589 /nfs/dbraw/zinc/57/05/89/409570589.db2.gz VEZVTBBFIQCCDV-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662253590 409551235 /nfs/dbraw/zinc/55/12/35/409551235.db2.gz ANXOVWXQOTXFRC-TUAOUCFPSA-N 2 1 224.348 1.095 20 0 BDADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2CCC2)CCO1 ZINC000662318903 409637435 /nfs/dbraw/zinc/63/74/35/409637435.db2.gz ARPUVEORNFXOMX-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911917 409986306 /nfs/dbraw/zinc/98/63/06/409986306.db2.gz QVLZIAVJODMHJS-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H](COCC1CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000651982857 410126503 /nfs/dbraw/zinc/12/65/03/410126503.db2.gz JCZICZZFWLZZBK-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)C[NH3+] ZINC000653175934 410153048 /nfs/dbraw/zinc/15/30/48/410153048.db2.gz GIUOGKKGPHKXQU-UHFFFAOYSA-N 2 1 243.395 1.065 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000663501603 410277826 /nfs/dbraw/zinc/27/78/26/410277826.db2.gz ABGLBLSBAJOEGJ-JHJVBQTASA-N 3 1 227.396 1.480 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000663512605 410282823 /nfs/dbraw/zinc/28/28/23/410282823.db2.gz GMLFTXGYZYEPMN-SMDDNHRTSA-N 2 1 248.370 1.750 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)[C@H]1CC[NH3+] ZINC000650711749 410341754 /nfs/dbraw/zinc/34/17/54/410341754.db2.gz CAHXNKVQQXSKLQ-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1CC[NH3+] ZINC000650711749 410341760 /nfs/dbraw/zinc/34/17/60/410341760.db2.gz CAHXNKVQQXSKLQ-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2cc[nH]n2)[C@H]1CC[NH3+] ZINC000650711503 410342476 /nfs/dbraw/zinc/34/24/76/410342476.db2.gz VYDVTTRVKHFTEJ-JQWIXIFHSA-N 2 1 222.336 1.359 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cc[nH]n2)[C@H]1CC[NH3+] ZINC000650711503 410342481 /nfs/dbraw/zinc/34/24/81/410342481.db2.gz VYDVTTRVKHFTEJ-JQWIXIFHSA-N 2 1 222.336 1.359 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000650711746 410342741 /nfs/dbraw/zinc/34/27/41/410342741.db2.gz CAHXNKVQQXSKLQ-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000650711746 410342744 /nfs/dbraw/zinc/34/27/44/410342744.db2.gz CAHXNKVQQXSKLQ-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CC[NH3+])CC1 ZINC000650722284 410361005 /nfs/dbraw/zinc/36/10/05/410361005.db2.gz ORIRZBCIDIIMKP-CYBMUJFWSA-N 2 1 227.396 1.421 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1c[nH+]ccc1N ZINC000650742937 410377387 /nfs/dbraw/zinc/37/73/87/410377387.db2.gz IRAXHICPKKTLAX-RQSQLSILSA-N 2 1 233.315 1.465 20 0 BDADMP [NH3+]CC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000650746027 410384496 /nfs/dbraw/zinc/38/44/96/410384496.db2.gz ULMWNQKYFFRZBM-STQMWFEESA-N 2 1 237.391 1.332 20 0 BDADMP N[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc21 ZINC000650747522 410388200 /nfs/dbraw/zinc/38/82/00/410388200.db2.gz BSYYBXZHBYFYIX-KBPBESRZSA-N 2 1 245.370 1.850 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)COCC1CC1)[C@H]1CCC[NH2+]1 ZINC000650761066 410409640 /nfs/dbraw/zinc/40/96/40/410409640.db2.gz RKUGHEWZUGOGDH-DMDPSCGWSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000650761070 410409846 /nfs/dbraw/zinc/40/98/46/410409846.db2.gz RKUGHEWZUGOGDH-MDZLAQPJSA-N 2 1 226.364 1.532 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219861902 410580918 /nfs/dbraw/zinc/58/09/18/410580918.db2.gz QVLZIAVJODMHJS-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000300231725 410616585 /nfs/dbraw/zinc/61/65/85/410616585.db2.gz INXFWLATGFKOAH-IJLUTSLNSA-N 2 1 228.405 1.799 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC1(C)C ZINC000309268271 410690232 /nfs/dbraw/zinc/69/02/32/410690232.db2.gz QOOFGHANSKGHMG-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC1(C)C ZINC000309268271 410690240 /nfs/dbraw/zinc/69/02/40/410690240.db2.gz QOOFGHANSKGHMG-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000309268271 410690242 /nfs/dbraw/zinc/69/02/42/410690242.db2.gz QOOFGHANSKGHMG-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000309268271 410690248 /nfs/dbraw/zinc/69/02/48/410690248.db2.gz QOOFGHANSKGHMG-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000665271722 410741243 /nfs/dbraw/zinc/74/12/43/410741243.db2.gz RDPZPEVHPZQCRH-NZVBXONLSA-N 2 1 245.370 1.986 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000393760410 410760712 /nfs/dbraw/zinc/76/07/12/410760712.db2.gz KVXFDTACKKDBGB-NWDGAFQWSA-N 2 1 222.336 1.011 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCS[C@H](C)C1 ZINC000309302482 410791575 /nfs/dbraw/zinc/79/15/75/410791575.db2.gz YVPQKEYJAHRNHJ-VXGBXAGGSA-N 2 1 246.420 1.125 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396452290 410881822 /nfs/dbraw/zinc/88/18/22/410881822.db2.gz VPMJKHZLSSISNS-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(N)c1 ZINC000653299418 410819711 /nfs/dbraw/zinc/81/97/11/410819711.db2.gz SUAAUWQMZRGCLT-ZWNOBZJWSA-N 2 1 219.332 1.580 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000397245635 410918602 /nfs/dbraw/zinc/91/86/02/410918602.db2.gz NKVQQQGACJUOIW-NEPJUHHUSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398190928 410948255 /nfs/dbraw/zinc/94/82/55/410948255.db2.gz WWISZZUELIIBHU-SMDDNHRTSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398190928 410948264 /nfs/dbraw/zinc/94/82/64/410948264.db2.gz WWISZZUELIIBHU-SMDDNHRTSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000300058209 411076786 /nfs/dbraw/zinc/07/67/86/411076786.db2.gz WBCZKVQOQCCANP-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1[NH3+] ZINC000300082064 411080409 /nfs/dbraw/zinc/08/04/09/411080409.db2.gz CQRYWLXCLVQZSH-MBNYWOFBSA-N 2 1 246.354 1.832 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1[NH3+] ZINC000300082064 411080414 /nfs/dbraw/zinc/08/04/14/411080414.db2.gz CQRYWLXCLVQZSH-MBNYWOFBSA-N 2 1 246.354 1.832 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000651865666 411147838 /nfs/dbraw/zinc/14/78/38/411147838.db2.gz CPUZCZURDWCWFF-ZIAGYGMSSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000651865666 411147839 /nfs/dbraw/zinc/14/78/39/411147839.db2.gz CPUZCZURDWCWFF-ZIAGYGMSSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000651865666 411147840 /nfs/dbraw/zinc/14/78/40/411147840.db2.gz CPUZCZURDWCWFF-ZIAGYGMSSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[N@@H+](C)CCCNCc1nccn1C ZINC000651865969 411147915 /nfs/dbraw/zinc/14/79/15/411147915.db2.gz OVAQZIXHKWGVGX-UHFFFAOYSA-N 2 1 238.379 1.488 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C)C(C)(C)C1 ZINC000653660614 411159613 /nfs/dbraw/zinc/15/96/13/411159613.db2.gz JFSAENJHKAKJMR-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000653660614 411159617 /nfs/dbraw/zinc/15/96/17/411159617.db2.gz JFSAENJHKAKJMR-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000653660614 411159621 /nfs/dbraw/zinc/15/96/21/411159621.db2.gz JFSAENJHKAKJMR-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H](O)C[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000655949021 411161216 /nfs/dbraw/zinc/16/12/16/411161216.db2.gz KGZMYIYVMWDLTQ-NSHDSACASA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C2CC2)C1 ZINC000653677735 411169778 /nfs/dbraw/zinc/16/97/78/411169778.db2.gz BUUYCSXGOBLBNI-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000653677735 411169780 /nfs/dbraw/zinc/16/97/80/411169780.db2.gz BUUYCSXGOBLBNI-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000653677735 411169783 /nfs/dbraw/zinc/16/97/83/411169783.db2.gz BUUYCSXGOBLBNI-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1[nH]ncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401115938 411176998 /nfs/dbraw/zinc/17/69/98/411176998.db2.gz IJGFHZPTHQASHW-NTZNESFSSA-N 2 1 234.347 1.196 20 0 BDADMP CCOCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404309027 411183154 /nfs/dbraw/zinc/18/31/54/411183154.db2.gz JMNPKXJPFYBAKE-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP C(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCC1 ZINC000655754171 411184401 /nfs/dbraw/zinc/18/44/01/411184401.db2.gz LAPHFZGUIYGJOL-ZIAGYGMSSA-N 2 1 237.391 1.299 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CN1CCC1 ZINC000655754171 411184405 /nfs/dbraw/zinc/18/44/05/411184405.db2.gz LAPHFZGUIYGJOL-ZIAGYGMSSA-N 2 1 237.391 1.299 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CN1CCC1 ZINC000655754171 411184408 /nfs/dbraw/zinc/18/44/08/411184408.db2.gz LAPHFZGUIYGJOL-ZIAGYGMSSA-N 2 1 237.391 1.299 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)CO1 ZINC000657980689 411186476 /nfs/dbraw/zinc/18/64/76/411186476.db2.gz CYKJRAFSSRHHAY-CMPLNLGQSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000402138841 411197423 /nfs/dbraw/zinc/19/74/23/411197423.db2.gz LITXSXRJVJBONK-RHYQMDGZSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCCN1 ZINC000656199679 411202603 /nfs/dbraw/zinc/20/26/03/411202603.db2.gz AWKZURVZDGZXLY-MQYQWHSLSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCCN1 ZINC000656199677 411202980 /nfs/dbraw/zinc/20/29/80/411202980.db2.gz AWKZURVZDGZXLY-FQUUOJAGSA-N 2 1 239.407 1.447 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656198202 411203082 /nfs/dbraw/zinc/20/30/82/411203082.db2.gz MOSHYDYODLHDLB-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656198202 411203084 /nfs/dbraw/zinc/20/30/84/411203084.db2.gz MOSHYDYODLHDLB-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656198202 411203085 /nfs/dbraw/zinc/20/30/85/411203085.db2.gz MOSHYDYODLHDLB-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656200387 411204535 /nfs/dbraw/zinc/20/45/35/411204535.db2.gz LURBMTFQOXCYCW-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656200386 411205100 /nfs/dbraw/zinc/20/51/00/411205100.db2.gz LURBMTFQOXCYCW-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360800 411216037 /nfs/dbraw/zinc/21/60/37/411216037.db2.gz QOYXAVJEWNGDCJ-TUAOUCFPSA-N 2 1 212.337 1.367 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000310175921 411218592 /nfs/dbraw/zinc/21/85/92/411218592.db2.gz VDSUSPSFJQPPBZ-KBPBESRZSA-N 2 1 231.343 1.642 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000422883708 411233677 /nfs/dbraw/zinc/23/36/77/411233677.db2.gz VKTUNLYJJQJGOE-KGLIPLIRSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]([NH2+][C@H](C)C1CC1)c1c[nH+]ccc1N ZINC000422938910 411235150 /nfs/dbraw/zinc/23/51/50/411235150.db2.gz LHOGKNAJSFGYNJ-RKDXNWHRSA-N 2 1 205.305 1.943 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CCCC1 ZINC000310508474 411239795 /nfs/dbraw/zinc/23/97/95/411239795.db2.gz JRIJQCHYQWAVJS-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC1CCCC1 ZINC000310508474 411239800 /nfs/dbraw/zinc/23/98/00/411239800.db2.gz JRIJQCHYQWAVJS-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CCCC1 ZINC000310508474 411239804 /nfs/dbraw/zinc/23/98/04/411239804.db2.gz JRIJQCHYQWAVJS-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952670 411268993 /nfs/dbraw/zinc/26/89/93/411268993.db2.gz PUGHFNVCKJCEAK-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000050952280 411269364 /nfs/dbraw/zinc/26/93/64/411269364.db2.gz JFWYGUYIMQQCRF-BETUJISGSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050952757 411269598 /nfs/dbraw/zinc/26/95/98/411269598.db2.gz AYEQQSFLLOLENG-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP c1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889303 411284914 /nfs/dbraw/zinc/28/49/14/411284914.db2.gz GUACTGSTTVNKMC-AWEZNQCLSA-N 2 1 245.370 1.418 20 0 BDADMP CCCNCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643515252 411285435 /nfs/dbraw/zinc/28/54/35/411285435.db2.gz SWKCWYPBSUXJCE-LBPRGKRZSA-N 2 1 227.396 1.306 20 0 BDADMP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)C1CCOCC1 ZINC000401715193 411299326 /nfs/dbraw/zinc/29/93/26/411299326.db2.gz KPZPLMSCHDUTPL-GMXVVIOVSA-N 2 1 226.364 1.389 20 0 BDADMP O[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000656696025 411332750 /nfs/dbraw/zinc/33/27/50/411332750.db2.gz CCLROUGAXBSXTD-MGPQQGTHSA-N 2 1 249.358 1.824 20 0 BDADMP CC[C@@](C)([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656440833 411258676 /nfs/dbraw/zinc/25/86/76/411258676.db2.gz OBKJEFQBOYNFFI-LLVKDONJSA-N 2 1 217.276 1.246 20 0 BDADMP CC[C@](C)([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656440834 411258881 /nfs/dbraw/zinc/25/88/81/411258881.db2.gz OBKJEFQBOYNFFI-NSHDSACASA-N 2 1 217.276 1.246 20 0 BDADMP NC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656785230 411356389 /nfs/dbraw/zinc/35/63/89/411356389.db2.gz FUEVSFDEDVMIML-OAHLLOKOSA-N 2 1 245.370 1.159 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656785230 411356393 /nfs/dbraw/zinc/35/63/93/411356393.db2.gz FUEVSFDEDVMIML-OAHLLOKOSA-N 3 1 245.370 1.159 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000403858813 411363653 /nfs/dbraw/zinc/36/36/53/411363653.db2.gz YTJOVFMVBPSSFX-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000403858813 411363656 /nfs/dbraw/zinc/36/36/56/411363656.db2.gz YTJOVFMVBPSSFX-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP c1cc2c(cc1CNC1CC[NH2+]CC1)C[NH2+]CC2 ZINC000656786423 411366393 /nfs/dbraw/zinc/36/63/93/411366393.db2.gz MNERHKNHXQNYJT-UHFFFAOYSA-N 2 1 245.370 1.174 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000656789592 411369652 /nfs/dbraw/zinc/36/96/52/411369652.db2.gz RSXZCJCXHVYNSI-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)CC[N@H+]1C ZINC000658330419 411337754 /nfs/dbraw/zinc/33/77/54/411337754.db2.gz JGPXGNFKBMKDHN-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@@H+](CCCc2cncn2C)C1 ZINC000401832493 411346231 /nfs/dbraw/zinc/34/62/31/411346231.db2.gz MUTSUCITRGHWPL-WCQYABFASA-N 2 1 237.347 1.055 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000404068223 411374298 /nfs/dbraw/zinc/37/42/98/411374298.db2.gz LCVFLMYDEZISJP-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC1CC([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000335607266 168147870 /nfs/dbraw/zinc/14/78/70/168147870.db2.gz FHFODVSZKHIDTO-KYHHOPLUSA-N 2 1 205.305 1.655 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662432 411376233 /nfs/dbraw/zinc/37/62/33/411376233.db2.gz KDQUBGKKSSUHEG-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662432 411376236 /nfs/dbraw/zinc/37/62/36/411376236.db2.gz KDQUBGKKSSUHEG-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662432 411376237 /nfs/dbraw/zinc/37/62/37/411376237.db2.gz KDQUBGKKSSUHEG-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1CC[NH3+] ZINC000404299983 411390191 /nfs/dbraw/zinc/39/01/91/411390191.db2.gz PRSCZFWEAOYPPG-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP FC(F)CN1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000414865743 411455417 /nfs/dbraw/zinc/45/54/17/411455417.db2.gz LYPAMLWIIUDTOJ-LLVKDONJSA-N 2 1 247.333 1.058 20 0 BDADMP COCCOCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404384926 411392824 /nfs/dbraw/zinc/39/28/24/411392824.db2.gz NWOVVTMSFZSPSD-OLZOCXBDSA-N 2 1 244.379 1.099 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2ccno2)[C@@H]1CC[NH3+] ZINC000404443674 411397543 /nfs/dbraw/zinc/39/75/43/411397543.db2.gz WDLJAINFVJLTLQ-CMPLNLGQSA-N 2 1 223.320 1.624 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccno2)[C@@H]1CC[NH3+] ZINC000404443674 411397545 /nfs/dbraw/zinc/39/75/45/411397545.db2.gz WDLJAINFVJLTLQ-CMPLNLGQSA-N 2 1 223.320 1.624 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000404625108 411402430 /nfs/dbraw/zinc/40/24/30/411402430.db2.gz CDXAXNSWQYPPMP-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CCC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653568603 411423270 /nfs/dbraw/zinc/42/32/70/411423270.db2.gz DVFSTWWPYWAKBO-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000653568603 411423271 /nfs/dbraw/zinc/42/32/71/411423271.db2.gz DVFSTWWPYWAKBO-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000653568603 411423274 /nfs/dbraw/zinc/42/32/74/411423274.db2.gz DVFSTWWPYWAKBO-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H](O)C1CC1 ZINC000653567049 411423657 /nfs/dbraw/zinc/42/36/57/411423657.db2.gz PUGOYRPZRVOPGA-ZDUSSCGKSA-N 2 1 237.347 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H](O)C1CC1 ZINC000653567049 411423660 /nfs/dbraw/zinc/42/36/60/411423660.db2.gz PUGOYRPZRVOPGA-ZDUSSCGKSA-N 2 1 237.347 1.055 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000126441892 411437916 /nfs/dbraw/zinc/43/79/16/411437916.db2.gz HIFFUVSOJAFGJE-OCCSQVGLSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2(CN)CCC2)CC[NH2+]1 ZINC000414789439 411445688 /nfs/dbraw/zinc/44/56/88/411445688.db2.gz OJOMCCAJGSYOFL-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H](CN(C)C2(C[NH3+])CCC2)CC[NH2+]1 ZINC000414789439 411445690 /nfs/dbraw/zinc/44/56/90/411445690.db2.gz OJOMCCAJGSYOFL-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657295042 411454259 /nfs/dbraw/zinc/45/42/59/411454259.db2.gz UNLYORAGRYNSCM-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657295042 411454261 /nfs/dbraw/zinc/45/42/61/411454261.db2.gz UNLYORAGRYNSCM-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000657295801 411454377 /nfs/dbraw/zinc/45/43/77/411454377.db2.gz ZJTDEZQOEPZISF-TZMCWYRMSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000657353901 411473747 /nfs/dbraw/zinc/47/37/47/411473747.db2.gz KXOIWGUQLMUYAY-MGPQQGTHSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000415089065 411491930 /nfs/dbraw/zinc/49/19/30/411491930.db2.gz XFSZGWLHNFXAEZ-JHJVBQTASA-N 2 1 240.391 1.779 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000660437594 411502683 /nfs/dbraw/zinc/50/26/83/411502683.db2.gz PTTXNTNVKJPRFX-KHMAMNHCSA-N 2 1 234.387 1.916 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000660437594 411502686 /nfs/dbraw/zinc/50/26/86/411502686.db2.gz PTTXNTNVKJPRFX-KHMAMNHCSA-N 2 1 234.387 1.916 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000660437594 411502689 /nfs/dbraw/zinc/50/26/89/411502689.db2.gz PTTXNTNVKJPRFX-KHMAMNHCSA-N 2 1 234.387 1.916 20 0 BDADMP CC[NH+]1CCN(CCCC[NH2+]C(C)C)CC1 ZINC000037482910 169989394 /nfs/dbraw/zinc/98/93/94/169989394.db2.gz UFVYGBMRKWKMQE-UHFFFAOYSA-N 2 1 227.396 1.402 20 0 BDADMP Cc1c[nH]c(C[NH2+]CCCC[N@H+](C)C2CC2)n1 ZINC000657488700 411531781 /nfs/dbraw/zinc/53/17/81/411531781.db2.gz VCMPXTQYDRTGAU-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000054788115 170016497 /nfs/dbraw/zinc/01/64/97/170016497.db2.gz QGSXYORUGBAZFW-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000054788115 170016498 /nfs/dbraw/zinc/01/64/98/170016498.db2.gz QGSXYORUGBAZFW-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@]2(C)CCCO2)C1 ZINC000340189017 170016522 /nfs/dbraw/zinc/01/65/22/170016522.db2.gz SIGVGVBEZJMWOJ-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC000037797619 170017107 /nfs/dbraw/zinc/01/71/07/170017107.db2.gz LMFPLAGHABDGDX-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC000037797619 170017108 /nfs/dbraw/zinc/01/71/08/170017108.db2.gz LMFPLAGHABDGDX-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000135451048 170017352 /nfs/dbraw/zinc/01/73/52/170017352.db2.gz HBUWSFJQEJMWBX-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000135451048 170017353 /nfs/dbraw/zinc/01/73/53/170017353.db2.gz HBUWSFJQEJMWBX-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(C)COC2)[C@H](C)C1 ZINC000336714352 170017781 /nfs/dbraw/zinc/01/77/81/170017781.db2.gz TUEWRMYYWUDMMQ-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C)COC2)[C@H](C)C1 ZINC000336714352 170017782 /nfs/dbraw/zinc/01/77/82/170017782.db2.gz TUEWRMYYWUDMMQ-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C)COC2)[C@H](C)C1 ZINC000336714352 170017784 /nfs/dbraw/zinc/01/77/84/170017784.db2.gz TUEWRMYYWUDMMQ-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H](C)O)C[C@H]1C ZINC000336721342 170019771 /nfs/dbraw/zinc/01/97/71/170019771.db2.gz SODCCDZGGYBWSU-RDBSUJKOSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@H](C)O)C[C@H]1C ZINC000336721342 170019773 /nfs/dbraw/zinc/01/97/73/170019773.db2.gz SODCCDZGGYBWSU-RDBSUJKOSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@H](C)O)C[C@H]1C ZINC000336721342 170019775 /nfs/dbraw/zinc/01/97/75/170019775.db2.gz SODCCDZGGYBWSU-RDBSUJKOSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)C)[C@H](C)C1 ZINC000336694028 170019809 /nfs/dbraw/zinc/01/98/09/170019809.db2.gz IFINDLJHJOKYPX-HZSPNIEDSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)C(C)C)[C@H](C)C1 ZINC000336694028 170019811 /nfs/dbraw/zinc/01/98/11/170019811.db2.gz IFINDLJHJOKYPX-HZSPNIEDSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)C(C)C)[C@H](C)C1 ZINC000336694028 170019812 /nfs/dbraw/zinc/01/98/12/170019812.db2.gz IFINDLJHJOKYPX-HZSPNIEDSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(C)C)[C@H](C)C1 ZINC000305121219 170020967 /nfs/dbraw/zinc/02/09/67/170020967.db2.gz HEBDKSWVSAQXIV-HZSPNIEDSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CC2)[C@@H](C)C1 ZINC000340492601 170021102 /nfs/dbraw/zinc/02/11/02/170021102.db2.gz RJNOZLQZJHMGHT-UBHSHLNASA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H](CO)[C@@H](C)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660268681 411562292 /nfs/dbraw/zinc/56/22/92/411562292.db2.gz IBCRJZFLIHGOPH-RFQIPJPRSA-N 2 1 242.407 1.571 20 0 BDADMP C[C@@H](CO)[C@@H](C)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660268681 411562293 /nfs/dbraw/zinc/56/22/93/411562293.db2.gz IBCRJZFLIHGOPH-RFQIPJPRSA-N 2 1 242.407 1.571 20 0 BDADMP CCOC1CC([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000338020433 170327989 /nfs/dbraw/zinc/32/79/89/170327989.db2.gz TXXMXWGWZFPUED-UHFFFAOYSA-N 2 1 237.347 1.739 20 0 BDADMP CCOCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336673585 170371105 /nfs/dbraw/zinc/37/11/05/170371105.db2.gz KWZIVJMCOWMPBL-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336673585 170371107 /nfs/dbraw/zinc/37/11/07/170371107.db2.gz KWZIVJMCOWMPBL-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336673585 170371108 /nfs/dbraw/zinc/37/11/08/170371108.db2.gz KWZIVJMCOWMPBL-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336673585 170371110 /nfs/dbraw/zinc/37/11/10/170371110.db2.gz KWZIVJMCOWMPBL-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000660781014 411628738 /nfs/dbraw/zinc/62/87/38/411628738.db2.gz QQRBBCCPPSYAPZ-ZOBORPQBSA-N 2 1 240.391 1.466 20 0 BDADMP CC1=C[C@@H](C)CN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660460062 411588425 /nfs/dbraw/zinc/58/84/25/411588425.db2.gz QBZWAFBAPCCAON-TZMCWYRMSA-N 2 1 240.391 1.586 20 0 BDADMP CC1=C[C@@H](C)C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660460062 411588427 /nfs/dbraw/zinc/58/84/27/411588427.db2.gz QBZWAFBAPCCAON-TZMCWYRMSA-N 2 1 240.391 1.586 20 0 BDADMP CC1=C[C@@H](C)C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660460062 411588429 /nfs/dbraw/zinc/58/84/29/411588429.db2.gz QBZWAFBAPCCAON-TZMCWYRMSA-N 2 1 240.391 1.586 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000657739338 411588609 /nfs/dbraw/zinc/58/86/09/411588609.db2.gz XZSBYYPWGNFMPK-SNVBAGLBSA-N 2 1 232.318 1.962 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000657786382 411595530 /nfs/dbraw/zinc/59/55/30/411595530.db2.gz PHXMMCCHRRKEOB-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657841118 411610036 /nfs/dbraw/zinc/61/00/36/411610036.db2.gz NKCACWCEKYUOGZ-CHWSQXEVSA-N 2 1 248.374 1.649 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657841118 411610037 /nfs/dbraw/zinc/61/00/37/411610037.db2.gz NKCACWCEKYUOGZ-CHWSQXEVSA-N 2 1 248.374 1.649 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C(F)F ZINC000657874870 411615403 /nfs/dbraw/zinc/61/54/03/411615403.db2.gz BURDNDMYKFFANT-DTWKUNHWSA-N 2 1 238.322 1.178 20 0 BDADMP Cc1cc(CO)cc(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000663452153 411659751 /nfs/dbraw/zinc/65/97/51/411659751.db2.gz JGJODIRMVZBXCC-JTQLQIEISA-N 2 1 237.347 1.634 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCOCCF)CC[N@H+]1C ZINC000663460674 411662243 /nfs/dbraw/zinc/66/22/43/411662243.db2.gz CMFSLRZFOUERLC-WDEREUQCSA-N 2 1 218.316 1.045 20 0 BDADMP C(N1CCC([C@@H]2CCC[NH2+]2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663495924 411676821 /nfs/dbraw/zinc/67/68/21/411676821.db2.gz QXTIPRGTFNNXFG-SOUVJXGZSA-N 2 1 249.402 1.060 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503588 411687964 /nfs/dbraw/zinc/68/79/64/411687964.db2.gz PYKLKTWGYGOMMU-NEPJUHHUSA-N 2 1 246.358 1.223 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503589 411688296 /nfs/dbraw/zinc/68/82/96/411688296.db2.gz PYKLKTWGYGOMMU-NWDGAFQWSA-N 2 1 246.358 1.223 20 0 BDADMP Cc1ccc(NCCC[NH2+]C[C@H](C)O)[nH+]c1 ZINC000517125875 411689935 /nfs/dbraw/zinc/68/99/35/411689935.db2.gz CKVUVDRFSHGJGA-NSHDSACASA-N 2 1 223.320 1.162 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000663509783 411693347 /nfs/dbraw/zinc/69/33/47/411693347.db2.gz AEJNGTYIVRKGGL-WCQYABFASA-N 2 1 248.370 1.750 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000663514754 411695419 /nfs/dbraw/zinc/69/54/19/411695419.db2.gz SQPKJWOSAXWRDC-AAEUAGOBSA-N 2 1 210.365 1.964 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000663514985 411697551 /nfs/dbraw/zinc/69/75/51/411697551.db2.gz XNXORRSOQZLVOE-WDEREUQCSA-N 2 1 224.323 1.954 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CO)CC2)c2ccccc21 ZINC000132210745 411844334 /nfs/dbraw/zinc/84/43/34/411844334.db2.gz YEWXXMMRMZWOAK-OLZOCXBDSA-N 2 1 232.327 1.493 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661824760 411893025 /nfs/dbraw/zinc/89/30/25/411893025.db2.gz COZGOCLZZSHWNO-CHWSQXEVSA-N 2 1 249.358 1.246 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC[C@H](C)O ZINC000662176305 412019566 /nfs/dbraw/zinc/01/95/66/412019566.db2.gz CQLKKUBMVMWCJB-LBPRGKRZSA-N 2 1 230.396 1.857 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC[C@H](C)O ZINC000662176305 412019570 /nfs/dbraw/zinc/01/95/70/412019570.db2.gz CQLKKUBMVMWCJB-LBPRGKRZSA-N 2 1 230.396 1.857 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662029428 411946345 /nfs/dbraw/zinc/94/63/45/411946345.db2.gz GEANJLYMZOPNPS-STQMWFEESA-N 2 1 235.331 1.160 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662029428 411946350 /nfs/dbraw/zinc/94/63/50/411946350.db2.gz GEANJLYMZOPNPS-STQMWFEESA-N 2 1 235.331 1.160 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[NH2+]CC1)C1CCC1 ZINC000662234072 412032315 /nfs/dbraw/zinc/03/23/15/412032315.db2.gz BISKEVJUVMBUDP-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[NH2+]CC1)C1CCC1 ZINC000662234072 412032318 /nfs/dbraw/zinc/03/23/18/412032318.db2.gz BISKEVJUVMBUDP-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000662236529 412034124 /nfs/dbraw/zinc/03/41/24/412034124.db2.gz ZRXIFRAHABKEQC-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000662236529 412034131 /nfs/dbraw/zinc/03/41/31/412034131.db2.gz ZRXIFRAHABKEQC-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)C1CCCC1 ZINC000662238727 412034665 /nfs/dbraw/zinc/03/46/65/412034665.db2.gz UWVNAWSPRPSQPY-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H](C[N@@H+]1CCCC[C@H]1C[NH3+])C1CCC1 ZINC000662242383 412037351 /nfs/dbraw/zinc/03/73/51/412037351.db2.gz DHTVNINJVFSMND-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CCCC[C@H]1C[NH3+])C1CCC1 ZINC000662242383 412037352 /nfs/dbraw/zinc/03/73/52/412037352.db2.gz DHTVNINJVFSMND-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)CC(C)(C)C[NH3+] ZINC000662248168 412046740 /nfs/dbraw/zinc/04/67/40/412046740.db2.gz VPTLZECRKDZPNI-ZSBIGDGJSA-N 2 1 210.365 1.949 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662249318 412047512 /nfs/dbraw/zinc/04/75/12/412047512.db2.gz SWPFFRJMVQDKKS-LBPRGKRZSA-N 2 1 224.348 1.382 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250768 412048944 /nfs/dbraw/zinc/04/89/44/412048944.db2.gz NOXIQUQKTABHQS-OLZOCXBDSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253472 412050269 /nfs/dbraw/zinc/05/02/69/412050269.db2.gz WGZCHNKODHACDB-GHMZBOCLSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]([N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C1(C)CC1 ZINC000662257721 412051288 /nfs/dbraw/zinc/05/12/88/412051288.db2.gz FWKDFMYYRYMZRF-NWDGAFQWSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258859 412054208 /nfs/dbraw/zinc/05/42/08/412054208.db2.gz MWMPVPJOELXIFE-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259033 412054459 /nfs/dbraw/zinc/05/44/59/412054459.db2.gz OMYURUKUEAANPA-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000662266879 412058075 /nfs/dbraw/zinc/05/80/75/412058075.db2.gz PZCROQYOHWWVTG-ONGXEEELSA-N 2 1 235.331 1.721 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662266879 412058079 /nfs/dbraw/zinc/05/80/79/412058079.db2.gz PZCROQYOHWWVTG-ONGXEEELSA-N 2 1 235.331 1.721 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351627234 171001646 /nfs/dbraw/zinc/00/16/46/171001646.db2.gz ILBCAILBEFRASK-KWCYVHTRSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351627234 171001649 /nfs/dbraw/zinc/00/16/49/171001649.db2.gz ILBCAILBEFRASK-KWCYVHTRSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000309429737 171010652 /nfs/dbraw/zinc/01/06/52/171010652.db2.gz MGKMDBBHCLSRBF-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000309429737 171010655 /nfs/dbraw/zinc/01/06/55/171010655.db2.gz MGKMDBBHCLSRBF-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000309429737 171010656 /nfs/dbraw/zinc/01/06/56/171010656.db2.gz MGKMDBBHCLSRBF-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309429737 171010658 /nfs/dbraw/zinc/01/06/58/171010658.db2.gz MGKMDBBHCLSRBF-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000309165324 171043477 /nfs/dbraw/zinc/04/34/77/171043477.db2.gz ISRMDVLCGBCYMW-NEPJUHHUSA-N 2 1 207.321 1.970 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000341009156 171083373 /nfs/dbraw/zinc/08/33/73/171083373.db2.gz LMEPQFPIKUKNOE-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000341009156 171083375 /nfs/dbraw/zinc/08/33/75/171083375.db2.gz LMEPQFPIKUKNOE-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000341009156 171083377 /nfs/dbraw/zinc/08/33/77/171083377.db2.gz LMEPQFPIKUKNOE-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCCO1 ZINC000336719045 171084570 /nfs/dbraw/zinc/08/45/70/171084570.db2.gz RWGOOEUFLKGKFV-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC000336719045 171084572 /nfs/dbraw/zinc/08/45/72/171084572.db2.gz RWGOOEUFLKGKFV-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC000336719045 171084573 /nfs/dbraw/zinc/08/45/73/171084573.db2.gz RWGOOEUFLKGKFV-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000020593533 171111026 /nfs/dbraw/zinc/11/10/26/171111026.db2.gz OKGDFSXFMIYGJM-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000042451989 171111054 /nfs/dbraw/zinc/11/10/54/171111054.db2.gz CGCBKRNMNGPRKH-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000042451989 171111056 /nfs/dbraw/zinc/11/10/56/171111056.db2.gz CGCBKRNMNGPRKH-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000020593535 171112951 /nfs/dbraw/zinc/11/29/51/171112951.db2.gz OKGDFSXFMIYGJM-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662273463 412065659 /nfs/dbraw/zinc/06/56/59/412065659.db2.gz MWWFTNPVGCZTDV-JLQSVIJNSA-N 2 1 234.387 1.964 20 0 BDADMP CCc1nocc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000662273141 412066021 /nfs/dbraw/zinc/06/60/21/412066021.db2.gz UEDUJLGICYXUNC-NSHDSACASA-N 2 1 237.347 1.798 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000355682812 171130493 /nfs/dbraw/zinc/13/04/93/171130493.db2.gz MHVWGNLPXJOPPG-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)OC ZINC000662276181 412067675 /nfs/dbraw/zinc/06/76/75/412067675.db2.gz GPTJCRLJSXAPTL-QWHCGFSZSA-N 2 1 244.379 1.145 20 0 BDADMP C[C@@H]1CCCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279005 412071030 /nfs/dbraw/zinc/07/10/30/412071030.db2.gz DYEJXHZEOFTFDQ-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662267396 412060718 /nfs/dbraw/zinc/06/07/18/412060718.db2.gz VCWJCAYWXJFPSF-ZYHUDNBSSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662267396 412060720 /nfs/dbraw/zinc/06/07/20/412060720.db2.gz VCWJCAYWXJFPSF-ZYHUDNBSSA-N 2 1 234.347 1.263 20 0 BDADMP CC[C@@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310514142 171200239 /nfs/dbraw/zinc/20/02/39/171200239.db2.gz RDPNKKRCROMOGW-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310514142 171200242 /nfs/dbraw/zinc/20/02/42/171200242.db2.gz RDPNKKRCROMOGW-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310514142 171200245 /nfs/dbraw/zinc/20/02/45/171200245.db2.gz RDPNKKRCROMOGW-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310514142 171200249 /nfs/dbraw/zinc/20/02/49/171200249.db2.gz RDPNKKRCROMOGW-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CCOCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298002 412083684 /nfs/dbraw/zinc/08/36/84/412083684.db2.gz SXWLGFVRXISMQV-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP COCC1([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000662298549 412085369 /nfs/dbraw/zinc/08/53/69/412085369.db2.gz NIMILBZTBPNCKI-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000662302125 412089669 /nfs/dbraw/zinc/08/96/69/412089669.db2.gz XDLLNMGCYXPBHG-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000662307693 412092591 /nfs/dbraw/zinc/09/25/91/412092591.db2.gz YAXHGBJJPHOYTH-OAHLLOKOSA-N 2 1 247.386 1.194 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000662313403 412094842 /nfs/dbraw/zinc/09/48/42/412094842.db2.gz KYTCOFARVUOJJC-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C(C[N@H+]1CC[C@H]2COC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662315465 412095445 /nfs/dbraw/zinc/09/54/45/412095445.db2.gz FWXCUEQFXBBZPY-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662315459 412096267 /nfs/dbraw/zinc/09/62/67/412096267.db2.gz FWXCUEQFXBBZPY-BFHYXJOUSA-N 2 1 238.375 1.344 20 0 BDADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000662314661 412096574 /nfs/dbraw/zinc/09/65/74/412096574.db2.gz AJGZYUPCZQGDDW-AWEZNQCLSA-N 2 1 233.359 1.546 20 0 BDADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2CC2)CCO1 ZINC000662318956 412098439 /nfs/dbraw/zinc/09/84/39/412098439.db2.gz CBANCARXSQFTMZ-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C/C=C/CO ZINC000665239678 412181340 /nfs/dbraw/zinc/18/13/40/412181340.db2.gz XFSATLMIAMLKSX-UGAQRHAQSA-N 2 1 234.343 1.083 20 0 BDADMP [NH3+]C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000665248554 412195713 /nfs/dbraw/zinc/19/57/13/412195713.db2.gz ZDKHAGIQYFHNSX-OLZOCXBDSA-N 2 1 237.391 1.474 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000665265680 412208720 /nfs/dbraw/zinc/20/87/20/412208720.db2.gz ZGYDEYNYGUZCJT-KXUCPTDWSA-N 2 1 218.291 1.619 20 0 BDADMP CC[C@@H]([NH2+]C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000662537402 412208927 /nfs/dbraw/zinc/20/89/27/412208927.db2.gz HNZIUTCBUHBOCV-SNVBAGLBSA-N 2 1 236.319 1.084 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000665280882 412226042 /nfs/dbraw/zinc/22/60/42/412226042.db2.gz OAGJLXHBQIGJQP-HZSPNIEDSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000665280882 412226046 /nfs/dbraw/zinc/22/60/46/412226046.db2.gz OAGJLXHBQIGJQP-HZSPNIEDSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000665280882 412226049 /nfs/dbraw/zinc/22/60/49/412226049.db2.gz OAGJLXHBQIGJQP-HZSPNIEDSA-N 3 1 239.407 1.576 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281797 412226689 /nfs/dbraw/zinc/22/66/89/412226689.db2.gz LBTHWWSRWCZYLP-CMPLNLGQSA-N 2 1 236.363 1.809 20 0 BDADMP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1nccn1C ZINC000665281753 412226948 /nfs/dbraw/zinc/22/69/48/412226948.db2.gz KGZQXNZEUMIWFQ-VXGBXAGGSA-N 2 1 238.379 1.834 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000665294566 412234150 /nfs/dbraw/zinc/23/41/50/412234150.db2.gz RAQMDDVOBOXHGA-WDEREUQCSA-N 2 1 210.321 1.798 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000665294392 412237430 /nfs/dbraw/zinc/23/74/30/412237430.db2.gz NVLMYOGHHGWYKP-UWVGGRQHSA-N 2 1 212.362 1.877 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000250332518 172166932 /nfs/dbraw/zinc/16/69/32/172166932.db2.gz GDPNKRQUGJPDFD-GHMZBOCLSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000044500618 172197949 /nfs/dbraw/zinc/19/79/49/172197949.db2.gz BOPNHTQQCWPNCK-NEPJUHHUSA-N 2 1 238.379 1.894 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CCO[C@H](C2CC2)C1 ZINC000362562456 173027966 /nfs/dbraw/zinc/02/79/66/173027966.db2.gz SYXWNCJVNFZQPH-KGLIPLIRSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(C)(C)O ZINC000336754718 173028410 /nfs/dbraw/zinc/02/84/10/173028410.db2.gz FXONTJXWFFXXQN-LLVKDONJSA-N 2 1 228.380 1.610 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CCO ZINC000336680734 173028658 /nfs/dbraw/zinc/02/86/58/173028658.db2.gz XQQZGXYBGQFKEC-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CCO ZINC000336680734 173028659 /nfs/dbraw/zinc/02/86/59/173028659.db2.gz XQQZGXYBGQFKEC-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CCO ZINC000336680734 173028661 /nfs/dbraw/zinc/02/86/61/173028661.db2.gz XQQZGXYBGQFKEC-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](CCn1ccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000336686088 173041622 /nfs/dbraw/zinc/04/16/22/173041622.db2.gz FUYGIIGYEJRWOE-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP C[NH+](CCn1ccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000336686088 173041624 /nfs/dbraw/zinc/04/16/24/173041624.db2.gz FUYGIIGYEJRWOE-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP C[NH+](CCn1ccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336686088 173041626 /nfs/dbraw/zinc/04/16/26/173041626.db2.gz FUYGIIGYEJRWOE-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000076647804 173045918 /nfs/dbraw/zinc/04/59/18/173045918.db2.gz AYRLZPCUMWYMRR-LBPRGKRZSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000076647804 173045919 /nfs/dbraw/zinc/04/59/19/173045919.db2.gz AYRLZPCUMWYMRR-LBPRGKRZSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(C2CC2)C1 ZINC000370085599 173054660 /nfs/dbraw/zinc/05/46/60/173054660.db2.gz WJSCDZYDKCGXHS-KBPBESRZSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370085599 173054662 /nfs/dbraw/zinc/05/46/62/173054662.db2.gz WJSCDZYDKCGXHS-KBPBESRZSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370085599 173054663 /nfs/dbraw/zinc/05/46/63/173054663.db2.gz WJSCDZYDKCGXHS-KBPBESRZSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@H+]1CCN(C(=O)CCCCC[NH3+])CC1(C)C ZINC000104143096 173067508 /nfs/dbraw/zinc/06/75/08/173067508.db2.gz YULXHRRYHIZGCF-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588224 173116992 /nfs/dbraw/zinc/11/69/92/173116992.db2.gz NOFHWFNVOUCDJN-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484628 173118015 /nfs/dbraw/zinc/11/80/15/173118015.db2.gz CVVQDPHRRJZZGI-VHSXEESVSA-N 2 1 200.351 1.033 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCCF)[C@H]2C1 ZINC000367143688 173129892 /nfs/dbraw/zinc/12/98/92/173129892.db2.gz LAJDKWIRFLESTJ-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCCF)[C@H]2C1 ZINC000367143688 173129893 /nfs/dbraw/zinc/12/98/93/173129893.db2.gz LAJDKWIRFLESTJ-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCCF)[C@H]2C1 ZINC000367143688 173129895 /nfs/dbraw/zinc/12/98/95/173129895.db2.gz LAJDKWIRFLESTJ-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCCF)[C@H]2C1 ZINC000367143688 173129896 /nfs/dbraw/zinc/12/98/96/173129896.db2.gz LAJDKWIRFLESTJ-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccn2)C1 ZINC000334153030 173136306 /nfs/dbraw/zinc/13/63/06/173136306.db2.gz NHJUILMIEKSZHM-UKRRQHHQSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccn2)C1 ZINC000334153030 173136309 /nfs/dbraw/zinc/13/63/09/173136309.db2.gz NHJUILMIEKSZHM-UKRRQHHQSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccn2)C1 ZINC000334153030 173136311 /nfs/dbraw/zinc/13/63/11/173136311.db2.gz NHJUILMIEKSZHM-UKRRQHHQSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000264202738 173146657 /nfs/dbraw/zinc/14/66/57/173146657.db2.gz DWDDWFZCUVSMCA-SECBINFHSA-N 2 1 231.303 1.322 20 0 BDADMP C[N@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000264202738 173146659 /nfs/dbraw/zinc/14/66/59/173146659.db2.gz DWDDWFZCUVSMCA-SECBINFHSA-N 2 1 231.303 1.322 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@@H]2CCC[C@@H]21 ZINC000309485090 173151825 /nfs/dbraw/zinc/15/18/25/173151825.db2.gz VDIYMHOJTQHRFZ-SRVKXCTJSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@H]2CCC[C@H]21 ZINC000353391231 173152287 /nfs/dbraw/zinc/15/22/87/173152287.db2.gz BILIBESGWFOOQJ-HZSPNIEDSA-N 2 1 248.374 1.346 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCn3ccnc3)[C@H]2C1 ZINC000375245507 173159623 /nfs/dbraw/zinc/15/96/23/173159623.db2.gz SGBCRBHXJULABQ-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CCCn3ccnc3)[C@H]2C1 ZINC000375245507 173159624 /nfs/dbraw/zinc/15/96/24/173159624.db2.gz SGBCRBHXJULABQ-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CCCn3ccnc3)[C@H]2C1 ZINC000375245507 173159625 /nfs/dbraw/zinc/15/96/25/173159625.db2.gz SGBCRBHXJULABQ-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCn3ccnc3)[C@H]2C1 ZINC000375245507 173159628 /nfs/dbraw/zinc/15/96/28/173159628.db2.gz SGBCRBHXJULABQ-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000040592203 173367984 /nfs/dbraw/zinc/36/79/84/173367984.db2.gz RQXBETJPDOBZKI-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000040592203 173367987 /nfs/dbraw/zinc/36/79/87/173367987.db2.gz RQXBETJPDOBZKI-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000040591975 173368346 /nfs/dbraw/zinc/36/83/46/173368346.db2.gz XUZCWICJYJXJCQ-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000040591975 173368347 /nfs/dbraw/zinc/36/83/47/173368347.db2.gz XUZCWICJYJXJCQ-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC000162429730 173370326 /nfs/dbraw/zinc/37/03/26/173370326.db2.gz WZZBCLCKGQWGGV-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC000162429730 173370328 /nfs/dbraw/zinc/37/03/28/173370328.db2.gz WZZBCLCKGQWGGV-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2scnc2C)C1 ZINC000070837122 173370530 /nfs/dbraw/zinc/37/05/30/173370530.db2.gz XRFBNZPIBURFJJ-JTQLQIEISA-N 2 1 225.361 1.493 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC000070837122 173370531 /nfs/dbraw/zinc/37/05/31/173370531.db2.gz XRFBNZPIBURFJJ-JTQLQIEISA-N 2 1 225.361 1.493 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC000070909087 173371128 /nfs/dbraw/zinc/37/11/28/173371128.db2.gz YKBXRXVYPKGROZ-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC000070909087 173371130 /nfs/dbraw/zinc/37/11/30/173371130.db2.gz YKBXRXVYPKGROZ-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCCF ZINC000308494436 173379977 /nfs/dbraw/zinc/37/99/77/173379977.db2.gz SHMJGRPGLCDORG-LLVKDONJSA-N 2 1 202.317 1.810 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCCF ZINC000308494436 173379979 /nfs/dbraw/zinc/37/99/79/173379979.db2.gz SHMJGRPGLCDORG-LLVKDONJSA-N 2 1 202.317 1.810 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC000070909083 173381754 /nfs/dbraw/zinc/38/17/54/173381754.db2.gz YKBXRXVYPKGROZ-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC000070909083 173381756 /nfs/dbraw/zinc/38/17/56/173381756.db2.gz YKBXRXVYPKGROZ-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300214961 174018921 /nfs/dbraw/zinc/01/89/21/174018921.db2.gz ALDXNUPTUNRCHO-IGJPJIBNSA-N 2 1 224.348 1.380 20 0 BDADMP COC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000342214065 174028432 /nfs/dbraw/zinc/02/84/32/174028432.db2.gz YGDGSBOZDFBYAD-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000336719741 174075047 /nfs/dbraw/zinc/07/50/47/174075047.db2.gz RTSBSDZZCCGTIG-YNEHKIRRSA-N 2 1 242.407 1.977 20 0 BDADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000310391127 174105222 /nfs/dbraw/zinc/10/52/22/174105222.db2.gz IYCNATFZWQDWAV-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP COCCCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000336745064 174180481 /nfs/dbraw/zinc/18/04/81/174180481.db2.gz QMJXUTWMQSSCLL-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336676039 174190163 /nfs/dbraw/zinc/19/01/63/174190163.db2.gz VLXBVZYMNVQECJ-UHFFFAOYSA-N 2 1 226.364 1.489 20 0 BDADMP COCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435485 174193589 /nfs/dbraw/zinc/19/35/89/174193589.db2.gz CAKHANBUEAQPCW-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339435485 174193590 /nfs/dbraw/zinc/19/35/90/174193590.db2.gz CAKHANBUEAQPCW-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339435485 174193592 /nfs/dbraw/zinc/19/35/92/174193592.db2.gz CAKHANBUEAQPCW-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000120411513 174215462 /nfs/dbraw/zinc/21/54/62/174215462.db2.gz LKKOHVOQPRFJOJ-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP COCCC[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000361109557 174233520 /nfs/dbraw/zinc/23/35/20/174233520.db2.gz TZBJWMQAPYHAAA-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000361109557 174233521 /nfs/dbraw/zinc/23/35/21/174233521.db2.gz TZBJWMQAPYHAAA-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000361109557 174233524 /nfs/dbraw/zinc/23/35/24/174233524.db2.gz TZBJWMQAPYHAAA-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000361109557 174233527 /nfs/dbraw/zinc/23/35/27/174233527.db2.gz TZBJWMQAPYHAAA-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000361109557 174233528 /nfs/dbraw/zinc/23/35/28/174233528.db2.gz TZBJWMQAPYHAAA-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000034958916 174246970 /nfs/dbraw/zinc/24/69/70/174246970.db2.gz WAGHFDYVIMTTEP-YOGCLGLASA-N 2 1 212.337 1.238 20 0 BDADMP COCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762327 174275019 /nfs/dbraw/zinc/27/50/19/174275019.db2.gz YAAGOCDSPHIPAC-FOSCPWQOSA-N 2 1 212.337 1.190 20 0 BDADMP COCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762327 174275021 /nfs/dbraw/zinc/27/50/21/174275021.db2.gz YAAGOCDSPHIPAC-FOSCPWQOSA-N 2 1 212.337 1.190 20 0 BDADMP COCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762327 174275022 /nfs/dbraw/zinc/27/50/22/174275022.db2.gz YAAGOCDSPHIPAC-FOSCPWQOSA-N 2 1 212.337 1.190 20 0 BDADMP COCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336662787 174312485 /nfs/dbraw/zinc/31/24/85/174312485.db2.gz CSDVFLMLYGWPNQ-ZDUSSCGKSA-N 2 1 226.364 1.297 20 0 BDADMP COCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336662787 174312487 /nfs/dbraw/zinc/31/24/87/174312487.db2.gz CSDVFLMLYGWPNQ-ZDUSSCGKSA-N 2 1 226.364 1.297 20 0 BDADMP COCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336662787 174312490 /nfs/dbraw/zinc/31/24/90/174312490.db2.gz CSDVFLMLYGWPNQ-ZDUSSCGKSA-N 2 1 226.364 1.297 20 0 BDADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH3+] ZINC000037712576 175207645 /nfs/dbraw/zinc/20/76/45/175207645.db2.gz XCSZIDSOHIODJJ-ZDUSSCGKSA-N 2 1 220.316 1.621 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCCO1)C2 ZINC000383505849 487631044 /nfs/dbraw/zinc/63/10/44/487631044.db2.gz FXPWIPXIXAXWSH-MJBXVCDLSA-N 2 1 238.375 1.616 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1C ZINC000037881929 176144098 /nfs/dbraw/zinc/14/40/98/176144098.db2.gz QSBZWMVNZONPPW-NDBYEHHHSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000128562597 176227350 /nfs/dbraw/zinc/22/73/50/176227350.db2.gz KGRROGCMFNPWFZ-AAVRWANBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000356911290 176268442 /nfs/dbraw/zinc/26/84/42/176268442.db2.gz IRILDYYTWSEIKM-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358308782 176270361 /nfs/dbraw/zinc/27/03/61/176270361.db2.gz ZLVOCVLDUUAMKN-KGYLQXTDSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358308782 176270362 /nfs/dbraw/zinc/27/03/62/176270362.db2.gz ZLVOCVLDUUAMKN-KGYLQXTDSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000358084158 176270567 /nfs/dbraw/zinc/27/05/67/176270567.db2.gz LTEZZFDOOOEACO-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000335592679 176327863 /nfs/dbraw/zinc/32/78/63/176327863.db2.gz RBSWJLHOKOMVLB-MFKMUULPSA-N 2 1 220.316 1.480 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309657761 176340663 /nfs/dbraw/zinc/34/06/63/176340663.db2.gz AHOMNORDUJCSIM-YPMHNXCESA-N 2 1 224.348 1.263 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c[nH]nc21 ZINC000334143247 176368075 /nfs/dbraw/zinc/36/80/75/176368075.db2.gz RAPFSMSVVRMCSR-MNOVXSKESA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])CN1c1cc[nH+]cc1Cl ZINC000127003207 176368753 /nfs/dbraw/zinc/36/87/53/176368753.db2.gz MTGCRJVWUFFLBP-BDAKNGLRSA-N 2 1 225.723 1.909 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000235381711 176369287 /nfs/dbraw/zinc/36/92/87/176369287.db2.gz ANNDEBCMAWPCFP-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CC2)CC[N@H+]1C ZINC000336741619 176376529 /nfs/dbraw/zinc/37/65/29/176376529.db2.gz NHHLJFKHTXMYPP-RTXFEEFZSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000035692147 177045996 /nfs/dbraw/zinc/04/59/96/177045996.db2.gz WRWVQBTZIYZCHS-GHMZBOCLSA-N 2 1 205.305 1.423 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527595 177051774 /nfs/dbraw/zinc/05/17/74/177051774.db2.gz WYORQDPAPJCERW-VXGBXAGGSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@H]1CCCCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000310122256 177070269 /nfs/dbraw/zinc/07/02/69/177070269.db2.gz VJUKJHPTKKWVCT-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310122256 177070271 /nfs/dbraw/zinc/07/02/71/177070271.db2.gz VJUKJHPTKKWVCT-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310122256 177070273 /nfs/dbraw/zinc/07/02/73/177070273.db2.gz VJUKJHPTKKWVCT-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310122256 177070276 /nfs/dbraw/zinc/07/02/76/177070276.db2.gz VJUKJHPTKKWVCT-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310122256 177070277 /nfs/dbraw/zinc/07/02/77/177070277.db2.gz VJUKJHPTKKWVCT-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358247554 177118604 /nfs/dbraw/zinc/11/86/04/177118604.db2.gz IAQWJOLNBKWICI-DGAVXFQQSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358247554 177118605 /nfs/dbraw/zinc/11/86/05/177118605.db2.gz IAQWJOLNBKWICI-DGAVXFQQSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000276627361 177142005 /nfs/dbraw/zinc/14/20/05/177142005.db2.gz ITPIUJGWLMKYRH-CMPLNLGQSA-N 2 1 207.321 1.741 20 0 BDADMP C[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1C[NH3+] ZINC000253191990 177159139 /nfs/dbraw/zinc/15/91/39/177159139.db2.gz MQEDHQMIFYPCHP-DTWKUNHWSA-N 2 1 224.270 1.856 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000375003019 177177122 /nfs/dbraw/zinc/17/71/22/177177122.db2.gz DWUCKKNLAWQXKB-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1CCOCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000375003019 177177123 /nfs/dbraw/zinc/17/71/23/177177123.db2.gz DWUCKKNLAWQXKB-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1CCOCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000375003019 177177124 /nfs/dbraw/zinc/17/71/24/177177124.db2.gz DWUCKKNLAWQXKB-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+](C)CCC[NH+]2CCCC2)O1 ZINC000337217559 177189110 /nfs/dbraw/zinc/18/91/10/177189110.db2.gz INRBZFHGWUCPQU-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)O1 ZINC000337217559 177189112 /nfs/dbraw/zinc/18/91/12/177189112.db2.gz INRBZFHGWUCPQU-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000133272111 177254932 /nfs/dbraw/zinc/25/49/32/177254932.db2.gz WJPBEEFZFZURDJ-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000021949368 177259802 /nfs/dbraw/zinc/25/98/02/177259802.db2.gz OBIXGXWSTBYACR-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000021949368 177259804 /nfs/dbraw/zinc/25/98/04/177259804.db2.gz OBIXGXWSTBYACR-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC1CC[NH2+]CC1 ZINC000094460815 177280045 /nfs/dbraw/zinc/28/00/45/177280045.db2.gz YHTJBSHFGLLJNU-GXTWGEPZSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000335592676 177284716 /nfs/dbraw/zinc/28/47/16/177284716.db2.gz RBSWJLHOKOMVLB-GWCFXTLKSA-N 2 1 220.316 1.480 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCCF ZINC000308506265 177324520 /nfs/dbraw/zinc/32/45/20/177324520.db2.gz YZNINTOJZAPXET-QWRGUYRKSA-N 2 1 202.317 1.795 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000300425473 177330877 /nfs/dbraw/zinc/33/08/77/177330877.db2.gz ZBTCGFHPWPIASL-WSOGJNRSSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000082993030 177332061 /nfs/dbraw/zinc/33/20/61/177332061.db2.gz DUQNWNUTORGVJR-WRWGMCAJSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCNc2ccccn2)CC[N@H+]1C ZINC000268996055 177332176 /nfs/dbraw/zinc/33/21/76/177332176.db2.gz NRGJTDSLZHJIJB-STQMWFEESA-N 2 1 248.374 1.566 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCO)CC[N@@H+]1Cc1ccccc1 ZINC000268712580 177332866 /nfs/dbraw/zinc/33/28/66/177332866.db2.gz DYWYLXLLTIVCKS-ZFWWWQNUSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCO)CC[N@H+]1Cc1ccccc1 ZINC000268712580 177332869 /nfs/dbraw/zinc/33/28/69/177332869.db2.gz DYWYLXLLTIVCKS-ZFWWWQNUSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccncc2)CC[NH2+]1 ZINC000235660034 177361468 /nfs/dbraw/zinc/36/14/68/177361468.db2.gz YUYTXUUWKAKWLV-GXTWGEPZSA-N 2 1 233.359 1.902 20 0 BDADMP CN1CC[N@@H+](CC2CC[NH2+]CC2)CC1(C)C ZINC000082483735 487639858 /nfs/dbraw/zinc/63/98/58/487639858.db2.gz WDCGHQYWAOTBJN-UHFFFAOYSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]1 ZINC000400350552 226341217 /nfs/dbraw/zinc/34/12/17/226341217.db2.gz JVWYGNSAJIBQFM-IACUBPJLSA-N 2 1 246.354 1.720 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400467786 226344222 /nfs/dbraw/zinc/34/42/22/226344222.db2.gz UFHNMYGTEYLQBE-SRVKXCTJSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCC[NH2+]1 ZINC000400565254 226346676 /nfs/dbraw/zinc/34/66/76/226346676.db2.gz MEVPMTOIXARXTF-BXUZGUMPSA-N 2 1 234.343 1.665 20 0 BDADMP Cc1ccc(C[NH2+]CCC[NH2+]C2CC2)nc1 ZINC000400877428 226352210 /nfs/dbraw/zinc/35/22/10/226352210.db2.gz CGMCRHGXSAFMBU-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000087472200 487659791 /nfs/dbraw/zinc/65/97/91/487659791.db2.gz WCQDKVHWCWXZQM-NSHDSACASA-N 2 1 207.321 1.684 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000087472200 487659795 /nfs/dbraw/zinc/65/97/95/487659795.db2.gz WCQDKVHWCWXZQM-NSHDSACASA-N 2 1 207.321 1.684 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335832502 487667958 /nfs/dbraw/zinc/66/79/58/487667958.db2.gz CRMNAGBCQDUXIO-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1cncn1C ZINC000314899757 487670282 /nfs/dbraw/zinc/67/02/82/487670282.db2.gz NFIBPAIYIDAVCX-VXGBXAGGSA-N 2 1 236.363 1.164 20 0 BDADMP C[C@@H]1CNC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000401705188 487684289 /nfs/dbraw/zinc/68/42/89/487684289.db2.gz RGKHQGAEJNHQDY-FZMZJTMJSA-N 2 1 236.334 1.956 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000401705188 487684293 /nfs/dbraw/zinc/68/42/93/487684293.db2.gz RGKHQGAEJNHQDY-FZMZJTMJSA-N 2 1 236.334 1.956 20 0 BDADMP C[N@@H+](CCC[NH3+])CCc1ccc2c(c1)CCO2 ZINC000088100644 487703187 /nfs/dbraw/zinc/70/31/87/487703187.db2.gz HIMKIBMJWAPSSM-UHFFFAOYSA-N 2 1 234.343 1.445 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250366624 487730777 /nfs/dbraw/zinc/73/07/77/487730777.db2.gz PATZABMBWIVXPY-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)CCC(C)(C)[NH3+] ZINC000226407335 487736362 /nfs/dbraw/zinc/73/63/62/487736362.db2.gz RWODVILMBAAFGJ-UHFFFAOYSA-N 2 1 243.395 1.352 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250654746 487737998 /nfs/dbraw/zinc/73/79/98/487737998.db2.gz NLZAXWDGLWIDGP-RQJABVFESA-N 2 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250654746 487738004 /nfs/dbraw/zinc/73/80/04/487738004.db2.gz NLZAXWDGLWIDGP-RQJABVFESA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250654746 487738008 /nfs/dbraw/zinc/73/80/08/487738008.db2.gz NLZAXWDGLWIDGP-RQJABVFESA-N 3 1 237.391 1.473 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccc(C)nc2)CC[C@@H]1[NH3+] ZINC000228859737 487739041 /nfs/dbraw/zinc/73/90/41/487739041.db2.gz LFSVWGWNQZYWCC-KGLIPLIRSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CC[C@@H]1[NH3+] ZINC000228859737 487739049 /nfs/dbraw/zinc/73/90/49/487739049.db2.gz LFSVWGWNQZYWCC-KGLIPLIRSA-N 2 1 233.359 1.949 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163664548 487756409 /nfs/dbraw/zinc/75/64/09/487756409.db2.gz WHVLSIFCVYFHJM-RVMXOQNASA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@H]1C[N@@H+](CCOCC(C)C)CC[C@@H]1[NH3+] ZINC000234198648 487770535 /nfs/dbraw/zinc/77/05/35/487770535.db2.gz ROPXGORIUXYBQE-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000309863604 487775835 /nfs/dbraw/zinc/77/58/35/487775835.db2.gz DVSONRLBXFMHHN-UKRRQHHQSA-N 2 1 248.370 1.872 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251679200 487788909 /nfs/dbraw/zinc/78/89/09/487788909.db2.gz HVBFUIDPJCYZCG-UONOGXRCSA-N 2 1 233.359 1.683 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1COc2ccccc2C1 ZINC000415088455 487809375 /nfs/dbraw/zinc/80/93/75/487809375.db2.gz XNWNMAFJVVBENR-KBPBESRZSA-N 2 1 248.370 1.953 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156059021 487809442 /nfs/dbraw/zinc/80/94/42/487809442.db2.gz QNPCSHOMKHONFJ-MELADBBJSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000252796941 487834287 /nfs/dbraw/zinc/83/42/87/487834287.db2.gz IAVNMOZYYMDCSC-UBHSHLNASA-N 2 1 218.344 1.988 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](C)COC)CC[C@H]1[NH3+] ZINC000253110042 487851358 /nfs/dbraw/zinc/85/13/58/487851358.db2.gz GAWKFIDWUXGHQU-IJLUTSLNSA-N 2 1 214.353 1.328 20 0 BDADMP [NH3+]CCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000666689599 487860853 /nfs/dbraw/zinc/86/08/53/487860853.db2.gz OQUHPMFDQAFNRV-UHFFFAOYSA-N 2 1 220.316 1.142 20 0 BDADMP CCSCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129059472 487875737 /nfs/dbraw/zinc/87/57/37/487875737.db2.gz GMZFJCFKEPLYBU-NWDGAFQWSA-N 2 1 228.405 1.956 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770746 487877374 /nfs/dbraw/zinc/87/73/74/487877374.db2.gz ULPUJRUSEKCAEP-STQMWFEESA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000666770573 487877688 /nfs/dbraw/zinc/87/76/88/487877688.db2.gz KBLNUDZWHQTQFK-FRRDWIJNSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666826028 487887168 /nfs/dbraw/zinc/88/71/68/487887168.db2.gz ISCMQENMBIXOSM-SECBINFHSA-N 2 1 236.294 1.158 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)CO1 ZINC000403799444 487889000 /nfs/dbraw/zinc/88/90/00/487889000.db2.gz DYKNGEOJCKJKGV-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367071 487910822 /nfs/dbraw/zinc/91/08/22/487910822.db2.gz WZTRCIHZRCNMBQ-STQMWFEESA-N 2 1 238.375 1.759 20 0 BDADMP Cc1nc(C)c(C[N@H+](C)CCC[NH3+])s1 ZINC000133224603 487913795 /nfs/dbraw/zinc/91/37/95/487913795.db2.gz IGABKHHYMHHFCU-UHFFFAOYSA-N 2 1 213.350 1.541 20 0 BDADMP Cc1nc(C)c(C[N@@H+](C)CCC[NH3+])s1 ZINC000133224603 487913798 /nfs/dbraw/zinc/91/37/98/487913798.db2.gz IGABKHHYMHHFCU-UHFFFAOYSA-N 2 1 213.350 1.541 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955424 487917242 /nfs/dbraw/zinc/91/72/42/487917242.db2.gz JGNIIVPPHUOWOZ-NSHDSACASA-N 3 1 225.380 1.106 20 0 BDADMP Nc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccn1 ZINC000652352785 487929914 /nfs/dbraw/zinc/92/99/14/487929914.db2.gz WRRNAGRBTUOSDZ-JSGCOSHPSA-N 2 1 246.358 1.055 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]1 ZINC000667048432 487933598 /nfs/dbraw/zinc/93/35/98/487933598.db2.gz WLHAJFHYIUSGBN-DGAVXFQQSA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncnc2C)C1 ZINC000566475520 323000317 /nfs/dbraw/zinc/00/03/17/323000317.db2.gz MFIXYQSGOZPBSS-YPMHNXCESA-N 2 1 248.374 1.777 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncnc2C)C1 ZINC000566475520 323000318 /nfs/dbraw/zinc/00/03/18/323000318.db2.gz MFIXYQSGOZPBSS-YPMHNXCESA-N 2 1 248.374 1.777 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccnn1C ZINC000569918732 323044322 /nfs/dbraw/zinc/04/43/22/323044322.db2.gz NOWRVUXRWCYVEQ-LLVKDONJSA-N 2 1 224.352 1.459 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000570422907 323059074 /nfs/dbraw/zinc/05/90/74/323059074.db2.gz JJVPIOGTQNBZKW-RYUDHWBXSA-N 2 1 244.342 1.698 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])on1 ZINC000570507850 323061582 /nfs/dbraw/zinc/06/15/82/323061582.db2.gz GANBQXNILQQHKF-JOYOIKCWSA-N 2 1 223.320 1.454 20 0 BDADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570510014 323061800 /nfs/dbraw/zinc/06/18/00/323061800.db2.gz SYHNPLIEHXQDQA-FRRDWIJNSA-N 2 1 226.364 1.076 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cccnc1 ZINC000570694533 323067640 /nfs/dbraw/zinc/06/76/40/323067640.db2.gz JIYBIKXIKNCMDE-UHFFFAOYSA-N 2 1 244.342 1.880 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cccnc1 ZINC000570694533 323067641 /nfs/dbraw/zinc/06/76/41/323067641.db2.gz JIYBIKXIKNCMDE-UHFFFAOYSA-N 2 1 244.342 1.880 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000221797854 323096720 /nfs/dbraw/zinc/09/67/20/323096720.db2.gz DOMINLNBDMUOLY-JSGCOSHPSA-N 3 1 239.407 1.543 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401781531 323122725 /nfs/dbraw/zinc/12/27/25/323122725.db2.gz QKVPHDJVDXBLDV-JTQLQIEISA-N 2 1 247.346 1.355 20 0 BDADMP COC1CCC([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000401821231 323127672 /nfs/dbraw/zinc/12/76/72/323127672.db2.gz BKPSJGKFPCXIMR-UHFFFAOYSA-N 2 1 237.347 1.510 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000563616187 323131672 /nfs/dbraw/zinc/13/16/72/323131672.db2.gz NYGSYTIBPQIJKI-JHJVBQTASA-N 2 1 238.375 1.533 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCC(C)CC1 ZINC000310523156 323132938 /nfs/dbraw/zinc/13/29/38/323132938.db2.gz MLAQYASITRXYHL-RUXDESIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC(C)CC1 ZINC000310523156 323132939 /nfs/dbraw/zinc/13/29/39/323132939.db2.gz MLAQYASITRXYHL-RUXDESIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCCc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000563638415 323133301 /nfs/dbraw/zinc/13/33/01/323133301.db2.gz ZEGPSHDIWOENGW-MNOVXSKESA-N 2 1 237.347 1.987 20 0 BDADMP C[C@H](Cc1ccsc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000049181705 323158536 /nfs/dbraw/zinc/15/85/36/323158536.db2.gz WVKNHRIIIOBUSN-ZYHUDNBSSA-N 2 1 242.388 1.191 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CC2)CC[N@@H+]1C ZINC000306635151 323172979 /nfs/dbraw/zinc/17/29/79/323172979.db2.gz YLXNKDSAIURQTR-UWVGGRQHSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CC2)CC[N@H+]1C ZINC000306635151 323172980 /nfs/dbraw/zinc/17/29/80/323172980.db2.gz YLXNKDSAIURQTR-UWVGGRQHSA-N 2 1 200.301 1.561 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000070624298 323205247 /nfs/dbraw/zinc/20/52/47/323205247.db2.gz NTQYTSJNOFSZNF-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCO1 ZINC000530214221 323216572 /nfs/dbraw/zinc/21/65/72/323216572.db2.gz CIZOASOKBFYWAU-SRVKXCTJSA-N 2 1 224.348 1.428 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000309255416 323332811 /nfs/dbraw/zinc/33/28/11/323332811.db2.gz OCDLQVCQKJRSGM-GRYCIOLGSA-N 2 1 246.420 1.125 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000309255416 323332814 /nfs/dbraw/zinc/33/28/14/323332814.db2.gz OCDLQVCQKJRSGM-GRYCIOLGSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000572423549 323627365 /nfs/dbraw/zinc/62/73/65/323627365.db2.gz DJZXGMACBNWRMJ-NWDGAFQWSA-N 2 1 236.363 1.824 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000123398596 324364668 /nfs/dbraw/zinc/36/46/68/324364668.db2.gz DNCWOUHRVFXRCO-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215659 324531009 /nfs/dbraw/zinc/53/10/09/324531009.db2.gz HQGYWWUICFXHNW-WCQYABFASA-N 2 1 246.358 1.282 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000083906936 487964068 /nfs/dbraw/zinc/96/40/68/487964068.db2.gz LGCMZCVYOASHNU-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130126951 325016421 /nfs/dbraw/zinc/01/64/21/325016421.db2.gz VFEZPABTLHQQFR-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000130451645 325053080 /nfs/dbraw/zinc/05/30/80/325053080.db2.gz MHQFTEXEWLOXSH-CHWSQXEVSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000130451645 325053082 /nfs/dbraw/zinc/05/30/82/325053082.db2.gz MHQFTEXEWLOXSH-CHWSQXEVSA-N 2 1 239.407 1.541 20 0 BDADMP COC[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131902783 325190515 /nfs/dbraw/zinc/19/05/15/325190515.db2.gz HPEQPLBULCGKMK-FUDCBSFHSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000134731076 325374132 /nfs/dbraw/zinc/37/41/32/325374132.db2.gz FFSVQIRFJPNWID-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158592433 487968298 /nfs/dbraw/zinc/96/82/98/487968298.db2.gz ASYVUNWSLQITKZ-SNVBAGLBSA-N 2 1 214.378 1.423 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CCCC12CCC2 ZINC000566412397 326041459 /nfs/dbraw/zinc/04/14/59/326041459.db2.gz FQVMDAXLRVLCAT-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC12CCC2 ZINC000566412397 326041461 /nfs/dbraw/zinc/04/14/61/326041461.db2.gz FQVMDAXLRVLCAT-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC12CCC2 ZINC000566412397 326041462 /nfs/dbraw/zinc/04/14/62/326041462.db2.gz FQVMDAXLRVLCAT-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC12CCC2 ZINC000566412397 326041463 /nfs/dbraw/zinc/04/14/63/326041463.db2.gz FQVMDAXLRVLCAT-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC12CCC2 ZINC000566412397 326041465 /nfs/dbraw/zinc/04/14/65/326041465.db2.gz FQVMDAXLRVLCAT-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000566648782 326068808 /nfs/dbraw/zinc/06/88/08/326068808.db2.gz CVCSRHHNYLDSAL-MJBXVCDLSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000566648782 326068812 /nfs/dbraw/zinc/06/88/12/326068812.db2.gz CVCSRHHNYLDSAL-MJBXVCDLSA-N 2 1 241.423 1.787 20 0 BDADMP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000566908998 326092995 /nfs/dbraw/zinc/09/29/95/326092995.db2.gz WBQVDPGBACOUTH-YPMHNXCESA-N 2 1 225.380 1.106 20 0 BDADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cnccn3)C2)C1 ZINC000566959577 326096872 /nfs/dbraw/zinc/09/68/72/326096872.db2.gz ZWGUBDGPRYXMRQ-CQSZACIVSA-N 2 1 246.358 1.394 20 0 BDADMP C[N@H+]1CCC[C@@H](CNCc2ccncc2F)C1 ZINC000567322335 326160193 /nfs/dbraw/zinc/16/01/93/326160193.db2.gz DXXJKNFESVIHDH-NSHDSACASA-N 2 1 237.322 1.652 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000568604869 326366910 /nfs/dbraw/zinc/36/69/10/326366910.db2.gz CDUGHJBCMGWLFW-CYBMUJFWSA-N 2 1 249.358 1.511 20 0 BDADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000682717716 488024891 /nfs/dbraw/zinc/02/48/91/488024891.db2.gz YNKOETKRZPBNII-HZSPNIEDSA-N 2 1 238.375 1.079 20 0 BDADMP Cc1[nH+]cc(CN(C)Cc2ccoc2)n1C ZINC000667544478 488041386 /nfs/dbraw/zinc/04/13/86/488041386.db2.gz IHNZQICDSKDRBH-UHFFFAOYSA-N 2 1 219.288 1.954 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)CS1 ZINC000655756191 488046128 /nfs/dbraw/zinc/04/61/28/488046128.db2.gz BCFNVRLEAFDCHW-GHMZBOCLSA-N 2 1 239.388 1.836 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCOC)[C@@H](C)C1 ZINC000222026301 488047839 /nfs/dbraw/zinc/04/78/39/488047839.db2.gz DPRWJBNIKFFRSV-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H](C)C[NH2+]C ZINC000663509969 488055490 /nfs/dbraw/zinc/05/54/90/488055490.db2.gz BLULXPBUERDGNG-WDEREUQCSA-N 2 1 202.342 1.389 20 0 BDADMP COCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000656200763 488066559 /nfs/dbraw/zinc/06/65/59/488066559.db2.gz PZWNMLUJCDQRIX-JTQLQIEISA-N 2 1 235.331 1.571 20 0 BDADMP C[C@@H](CO)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000121056395 490074674 /nfs/dbraw/zinc/07/46/74/490074674.db2.gz ACBLEKYSOAQDEA-ZIAGYGMSSA-N 2 1 240.391 1.423 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257705551 488084347 /nfs/dbraw/zinc/08/43/47/488084347.db2.gz RFIDONWAGMXELE-HNNXBMFYSA-N 2 1 245.370 1.700 20 0 BDADMP COC(C)(C)CN(C)Cc1cnc(C)n1C ZINC000667700077 488092993 /nfs/dbraw/zinc/09/29/93/488092993.db2.gz QVFUGRVRJFKYGY-UHFFFAOYSA-N 2 1 225.336 1.585 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CC[N@H+]1C ZINC000227648870 488108351 /nfs/dbraw/zinc/10/83/51/488108351.db2.gz CHLZALHRWNTUIO-ZIHBUVQPSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667763691 488111742 /nfs/dbraw/zinc/11/17/42/488111742.db2.gz GVCRIOJCNQKPAA-KGLIPLIRSA-N 2 1 238.375 1.628 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000389846558 488117989 /nfs/dbraw/zinc/11/79/89/488117989.db2.gz OKOJSLRSEBYZDH-ITGUQSILSA-N 2 1 208.349 1.859 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403271930 488120399 /nfs/dbraw/zinc/12/03/99/488120399.db2.gz KKURHXOGCKMKCO-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292308 487541453 /nfs/dbraw/zinc/54/14/53/487541453.db2.gz DHMQIFVNMNGZED-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C1CCC1 ZINC000662275997 487530239 /nfs/dbraw/zinc/53/02/39/487530239.db2.gz GSYODOPBLAFACE-CDGCEXEKSA-N 2 1 240.391 1.778 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674301991 487554470 /nfs/dbraw/zinc/55/44/70/487554470.db2.gz IJIWRWVVPXPNIV-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000680258401 487554889 /nfs/dbraw/zinc/55/48/89/487554889.db2.gz RJVMDQLENACGKQ-SNVBAGLBSA-N 2 1 248.330 1.038 20 0 BDADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCOC1 ZINC000674302562 487554902 /nfs/dbraw/zinc/55/49/02/487554902.db2.gz ODKFQALZJDVPKP-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCOC1 ZINC000674302562 487554903 /nfs/dbraw/zinc/55/49/03/487554903.db2.gz ODKFQALZJDVPKP-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000674302562 487554904 /nfs/dbraw/zinc/55/49/04/487554904.db2.gz ODKFQALZJDVPKP-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000674302562 487554905 /nfs/dbraw/zinc/55/49/05/487554905.db2.gz ODKFQALZJDVPKP-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](NCc2ncc[nH]2)C1 ZINC000657562292 488135338 /nfs/dbraw/zinc/13/53/38/488135338.db2.gz MIQTVUZUKPQYKC-JTQLQIEISA-N 2 1 222.336 1.372 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)C1CCCC1 ZINC000662266431 487502289 /nfs/dbraw/zinc/50/22/89/487502289.db2.gz YZCZLOVVKCDGMO-YRGRVCCFSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381474388 487509833 /nfs/dbraw/zinc/50/98/33/487509833.db2.gz PYNIRNBBBGPSTE-NDBYEHHHSA-N 2 1 208.349 1.703 20 0 BDADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000168535692 487517408 /nfs/dbraw/zinc/51/74/08/487517408.db2.gz YZZWMIYXALLCCU-CYBMUJFWSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274608 487522979 /nfs/dbraw/zinc/52/29/79/487522979.db2.gz XULCCBXOFJYBSI-ZIAGYGMSSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274608 487522982 /nfs/dbraw/zinc/52/29/82/487522982.db2.gz XULCCBXOFJYBSI-ZIAGYGMSSA-N 2 1 240.391 1.861 20 0 BDADMP CC[N@H+]1CCN(c2nc(C)nc(C)c2C)C[C@@H]1C ZINC000677152536 487984939 /nfs/dbraw/zinc/98/49/39/487984939.db2.gz NKFUSYBBOPPNIJ-JTQLQIEISA-N 2 1 248.374 1.932 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]c(C)c2)C[C@H]1C ZINC000681393048 488002671 /nfs/dbraw/zinc/00/26/71/488002671.db2.gz YQMVVCACOBYEBR-GFCCVEGCSA-N 2 1 219.332 1.920 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCOC[C@@H]1C ZINC000677819709 488135909 /nfs/dbraw/zinc/13/59/09/488135909.db2.gz NDCFDTRBCSEWMB-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCOC[C@@H]1C ZINC000677819709 488135914 /nfs/dbraw/zinc/13/59/14/488135914.db2.gz NDCFDTRBCSEWMB-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000667885440 488147799 /nfs/dbraw/zinc/14/77/99/488147799.db2.gz RDFDLWYRXITRNA-ZZVYKPCYSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC[N@H+]1C ZINC000667885440 488147801 /nfs/dbraw/zinc/14/78/01/488147801.db2.gz RDFDLWYRXITRNA-ZZVYKPCYSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C ZINC000379889105 488154261 /nfs/dbraw/zinc/15/42/61/488154261.db2.gz ADRDSKJYWXIRQL-KGLIPLIRSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C ZINC000379889105 488154264 /nfs/dbraw/zinc/15/42/64/488154264.db2.gz ADRDSKJYWXIRQL-KGLIPLIRSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000379855768 488154652 /nfs/dbraw/zinc/15/46/52/488154652.db2.gz BZDFGLUQKGDQFI-VXGBXAGGSA-N 2 1 216.369 1.418 20 0 BDADMP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000379855768 488154657 /nfs/dbraw/zinc/15/46/57/488154657.db2.gz BZDFGLUQKGDQFI-VXGBXAGGSA-N 2 1 216.369 1.418 20 0 BDADMP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000379855768 488154661 /nfs/dbraw/zinc/15/46/61/488154661.db2.gz BZDFGLUQKGDQFI-VXGBXAGGSA-N 2 1 216.369 1.418 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667924286 488159536 /nfs/dbraw/zinc/15/95/36/488159536.db2.gz LAFYIWPMNOMJKP-UONOGXRCSA-N 2 1 236.359 1.405 20 0 BDADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000657877418 488159928 /nfs/dbraw/zinc/15/99/28/488159928.db2.gz RANGWUUOWNDDBW-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@]1(CO)CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000668031541 488191076 /nfs/dbraw/zinc/19/10/76/488191076.db2.gz ZRWJTMYMCNUTDP-CYBMUJFWSA-N 2 1 235.331 1.176 20 0 BDADMP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000647336111 488192434 /nfs/dbraw/zinc/19/24/34/488192434.db2.gz MPDGYYHVIGYHAJ-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn[nH]c2)C[C@H]1C ZINC000678277139 488235212 /nfs/dbraw/zinc/23/52/12/488235212.db2.gz RLTIHDYIUBTOIH-DGCLKSJQSA-N 2 1 236.363 1.714 20 0 BDADMP C[C@@H]1C[C@@H](N(C)Cc2cn[nH]c2)CC[N@H+]1C ZINC000678278118 488235323 /nfs/dbraw/zinc/23/53/23/488235323.db2.gz MNVBDUNZXWAUAA-PWSUYJOCSA-N 2 1 222.336 1.324 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cn[nH]c2)C[C@@H]1n1ccnc1 ZINC000678336758 488242013 /nfs/dbraw/zinc/24/20/13/488242013.db2.gz LKYTVCXUMXSIII-AAEUAGOBSA-N 2 1 245.330 1.689 20 0 BDADMP c1c2ccccc2[nH]c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000684022756 488256167 /nfs/dbraw/zinc/25/61/67/488256167.db2.gz QYRCNGKNDVICIS-BETUJISGSA-N 2 1 241.338 1.819 20 0 BDADMP c1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000684022756 488256170 /nfs/dbraw/zinc/25/61/70/488256170.db2.gz QYRCNGKNDVICIS-BETUJISGSA-N 2 1 241.338 1.819 20 0 BDADMP Cc1c[nH+]ccc1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000684588849 488329033 /nfs/dbraw/zinc/32/90/33/488329033.db2.gz QJKQFTBGYDMBRX-UHFFFAOYSA-N 2 1 249.358 1.283 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000679851534 488369055 /nfs/dbraw/zinc/36/90/55/488369055.db2.gz SBDMNYUAYUJXQE-RYUDHWBXSA-N 2 1 223.320 1.555 20 0 BDADMP CC[C@@H](CC(F)F)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659851293 490093299 /nfs/dbraw/zinc/09/32/99/490093299.db2.gz YPHSSMYOJJSZOB-GARJFASQSA-N 2 1 232.318 1.819 20 0 BDADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000666814069 490097128 /nfs/dbraw/zinc/09/71/28/490097128.db2.gz APDICWFJLYVNBJ-QWHCGFSZSA-N 2 1 246.354 1.894 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000165165070 490232513 /nfs/dbraw/zinc/23/25/13/490232513.db2.gz YRVYUGGXOUBWOH-NEPJUHHUSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cnn(C)c2)[C@H]1CC[NH3+] ZINC000404398658 491098997 /nfs/dbraw/zinc/09/89/97/491098997.db2.gz PURXOYVYUIZBRI-AAEUAGOBSA-N 2 1 236.363 1.369 20 0 BDADMP CC1(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668739018 491133117 /nfs/dbraw/zinc/13/31/17/491133117.db2.gz IOEDNRKRENWGHQ-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP Cc1cccnc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000223291530 491135411 /nfs/dbraw/zinc/13/54/11/491135411.db2.gz VANCZYXBLHTIBJ-QWHCGFSZSA-N 2 1 233.359 1.962 20 0 BDADMP COc1cccc(Cl)c1C[NH2+]CCC[NH3+] ZINC000133387774 491152363 /nfs/dbraw/zinc/15/23/63/491152363.db2.gz RZQCUVNTOBGAIZ-UHFFFAOYSA-N 2 1 228.723 1.787 20 0 BDADMP C[C@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400726922 533834668 /nfs/dbraw/zinc/83/46/68/533834668.db2.gz PRJIDNIWXIZFTI-NWDGAFQWSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@H](NCC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400698869 533838720 /nfs/dbraw/zinc/83/87/20/533838720.db2.gz JPXXKUWCIOKZKV-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484512568 533896898 /nfs/dbraw/zinc/89/68/98/533896898.db2.gz SEUVRQFXMIAMEB-XUXIUFHCSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484512568 533896905 /nfs/dbraw/zinc/89/69/05/533896905.db2.gz SEUVRQFXMIAMEB-XUXIUFHCSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@@H]1C ZINC000494904882 533944563 /nfs/dbraw/zinc/94/45/63/533944563.db2.gz ZYSJMDKDHHNOTD-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000251741139 535859514 /nfs/dbraw/zinc/85/95/14/535859514.db2.gz KWAUYNQQCLGETK-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000163820728 536056538 /nfs/dbraw/zinc/05/65/38/536056538.db2.gz DWCASYPNOGTYRM-DGCLKSJQSA-N 2 1 236.363 1.320 20 0 BDADMP CCc1nc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C)[nH+]1 ZINC000261575061 536125393 /nfs/dbraw/zinc/12/53/93/536125393.db2.gz MWXZSPZCWUTRNU-RYUDHWBXSA-N 2 1 246.358 1.536 20 0 BDADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)C[NH3+] ZINC000259174244 536471297 /nfs/dbraw/zinc/47/12/97/536471297.db2.gz VXCAHYRBSGWAHF-VIFPVBQESA-N 2 1 246.713 1.231 20 0 BDADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)C[NH3+] ZINC000259174244 536471299 /nfs/dbraw/zinc/47/12/99/536471299.db2.gz VXCAHYRBSGWAHF-VIFPVBQESA-N 2 1 246.713 1.231 20 0 BDADMP COC[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261635938 536523576 /nfs/dbraw/zinc/52/35/76/536523576.db2.gz FHHVENLPVHAKPQ-YUELXQCFSA-N 2 1 248.370 1.696 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)C[NH+](CC)CC ZINC000174637769 527966809 /nfs/dbraw/zinc/96/68/09/527966809.db2.gz LGHHFDLJMPCPLE-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400322317 527980335 /nfs/dbraw/zinc/98/03/35/527980335.db2.gz BKTKHZZLAOWFQZ-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000471782152 528964662 /nfs/dbraw/zinc/96/46/62/528964662.db2.gz RHZHTGSMXWIDCQ-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000252715106 535002765 /nfs/dbraw/zinc/00/27/65/535002765.db2.gz UQXNHCAEHLGUFP-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)COC1 ZINC000250813166 535157917 /nfs/dbraw/zinc/15/79/17/535157917.db2.gz VRVOXQQZVTXNRN-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1C ZINC000262037170 535262006 /nfs/dbraw/zinc/26/20/06/535262006.db2.gz XWZIWWDNVXVWIQ-AWEZNQCLSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCC[NH2+]CC1 ZINC000217645076 535300827 /nfs/dbraw/zinc/30/08/27/535300827.db2.gz CBPVWZCGWRLFHQ-ZDUSSCGKSA-N 2 1 227.396 1.450 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)C(C)C)CC1 ZINC000087538357 535456988 /nfs/dbraw/zinc/45/69/88/535456988.db2.gz APINKNPMYCHBOC-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)C(C)C)CC1 ZINC000087538357 535456992 /nfs/dbraw/zinc/45/69/92/535456992.db2.gz APINKNPMYCHBOC-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000171940798 535502351 /nfs/dbraw/zinc/50/23/51/535502351.db2.gz PTXFKAQAMJMEEW-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000171940798 535502356 /nfs/dbraw/zinc/50/23/56/535502356.db2.gz PTXFKAQAMJMEEW-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249794518 535541086 /nfs/dbraw/zinc/54/10/86/535541086.db2.gz ADOQIVYVOHPQBD-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP CCOC1CC(C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000351758332 535754687 /nfs/dbraw/zinc/75/46/87/535754687.db2.gz PCGXEELNJLIFHX-IYXRBSQSSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000351758797 535944069 /nfs/dbraw/zinc/94/40/69/535944069.db2.gz QVOVNZYKXQAZAS-NSHDSACASA-N 2 1 202.317 1.620 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000163820728 536056530 /nfs/dbraw/zinc/05/65/30/536056530.db2.gz DWCASYPNOGTYRM-DGCLKSJQSA-N 2 1 236.363 1.320 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715845 536091302 /nfs/dbraw/zinc/09/13/02/536091302.db2.gz WVMXBZHBRBYCNX-UPJWGTAASA-N 2 1 228.380 1.325 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000252708654 536098144 /nfs/dbraw/zinc/09/81/44/536098144.db2.gz ASUCNIZRSZTFMQ-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000087668000 536344409 /nfs/dbraw/zinc/34/44/09/536344409.db2.gz OHNPZMAAKNXVBN-NSHDSACASA-N 2 1 214.378 1.566 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]2COC[C@H]21 ZINC000367090776 536390345 /nfs/dbraw/zinc/39/03/45/536390345.db2.gz COYYEWGRHGBKEA-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367090776 536390348 /nfs/dbraw/zinc/39/03/48/536390348.db2.gz COYYEWGRHGBKEA-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367090776 536390350 /nfs/dbraw/zinc/39/03/50/536390350.db2.gz COYYEWGRHGBKEA-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261534419 536709232 /nfs/dbraw/zinc/70/92/32/536709232.db2.gz MIRPFMYVLNACPP-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCn1cc(C[NH2+][C@@H](C)CC[NH+](C)C)c(C)n1 ZINC000892764282 582977960 /nfs/dbraw/zinc/97/79/60/582977960.db2.gz WDNKUSSSTCHKNM-NSHDSACASA-N 2 1 238.379 1.641 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000222971080 583179607 /nfs/dbraw/zinc/17/96/07/583179607.db2.gz NBKANAZULQYDFC-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@H]([NH2+][C@@H]1C=CCC1)c1c[nH+]ccc1N ZINC000854221662 588780140 /nfs/dbraw/zinc/78/01/40/588780140.db2.gz RAUWJKGFANSLTM-VHSXEESVSA-N 2 1 203.289 1.863 20 0 BDADMP C[C@@H]([NH2+][C@H]1C=CCC1)c1c[nH+]ccc1N ZINC000854221663 588780170 /nfs/dbraw/zinc/78/01/70/588780170.db2.gz RAUWJKGFANSLTM-ZJUUUORDSA-N 2 1 203.289 1.863 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@@H]1C[C@@H]1c1ccccc1 ZINC000846221349 582653169 /nfs/dbraw/zinc/65/31/69/582653169.db2.gz BZTNIGZXNAUHPD-ZIAGYGMSSA-N 2 1 234.343 1.450 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1CO ZINC000891838913 582728726 /nfs/dbraw/zinc/72/87/26/582728726.db2.gz XKRCSENTQSEVLL-GFCCVEGCSA-N 2 1 249.358 1.282 20 0 BDADMP CC[NH+](CC)C[C@@H](C)Nc1nc(N)cc(C)[nH+]1 ZINC000892032035 582767026 /nfs/dbraw/zinc/76/70/26/582767026.db2.gz FJBVXEAHDZEJSB-SNVBAGLBSA-N 2 1 237.351 1.509 20 0 BDADMP C[C@@H]1OCC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000892048173 582773502 /nfs/dbraw/zinc/77/35/02/582773502.db2.gz IAZZORHYRIOUPK-RYUDHWBXSA-N 2 1 226.364 1.437 20 0 BDADMP CC1=CC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000892070459 582785365 /nfs/dbraw/zinc/78/53/65/582785365.db2.gz SWBVUPYBXFBPNV-UHFFFAOYSA-N 2 1 208.349 1.980 20 0 BDADMP CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000849013680 582825877 /nfs/dbraw/zinc/82/58/77/582825877.db2.gz IRJBJBDTBFFRMT-GFCCVEGCSA-N 2 1 240.395 1.488 20 0 BDADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000892760207 582977459 /nfs/dbraw/zinc/97/74/59/582977459.db2.gz WKLJWPLHQLLPKJ-UHFFFAOYSA-N 2 1 235.287 1.583 20 0 BDADMP Cc1cc(N[C@H](C)C2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000396450350 583082735 /nfs/dbraw/zinc/08/27/35/583082735.db2.gz GFSOZQIKKJSZIS-LLVKDONJSA-N 2 1 248.374 1.658 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnccn1 ZINC000856768744 588876624 /nfs/dbraw/zinc/87/66/24/588876624.db2.gz AZXSXZXSUYAJRM-NSHDSACASA-N 2 1 245.330 1.407 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)[C@@H](C)O1 ZINC000893888605 583244105 /nfs/dbraw/zinc/24/41/05/583244105.db2.gz KPRGVRGOJDUPGD-FRRDWIJNSA-N 2 1 240.391 1.826 20 0 BDADMP Fc1cccc(/C=C/C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000894097797 583302494 /nfs/dbraw/zinc/30/24/94/583302494.db2.gz QDYASIOGKZJCSS-BZRVQBCOSA-N 2 1 246.329 1.990 20 0 BDADMP Cc1cc(N)nc(NCCCC[N@H+](C)C2CC2)[nH+]1 ZINC000894140647 583316842 /nfs/dbraw/zinc/31/68/42/583316842.db2.gz DHHDRLQZPKLHAN-UHFFFAOYSA-N 2 1 249.362 1.654 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879581365 583440729 /nfs/dbraw/zinc/44/07/29/583440729.db2.gz ZADWMRTYYSANFA-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879581365 583440732 /nfs/dbraw/zinc/44/07/32/583440732.db2.gz ZADWMRTYYSANFA-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000879581365 583440734 /nfs/dbraw/zinc/44/07/34/583440734.db2.gz ZADWMRTYYSANFA-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000879581365 583440738 /nfs/dbraw/zinc/44/07/38/583440738.db2.gz ZADWMRTYYSANFA-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP Cc1n[nH]c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC000894581919 583488650 /nfs/dbraw/zinc/48/86/50/583488650.db2.gz WOWSIOPHVCAWAN-TXEJJXNPSA-N 2 1 234.347 1.020 20 0 BDADMP Cc1[nH]nc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000894581919 583488651 /nfs/dbraw/zinc/48/86/51/583488651.db2.gz WOWSIOPHVCAWAN-TXEJJXNPSA-N 2 1 234.347 1.020 20 0 BDADMP Cc1[nH]nc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC000894581919 583488653 /nfs/dbraw/zinc/48/86/53/583488653.db2.gz WOWSIOPHVCAWAN-TXEJJXNPSA-N 2 1 234.347 1.020 20 0 BDADMP COC[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894784825 583521471 /nfs/dbraw/zinc/52/14/71/583521471.db2.gz QOOCRTXBWCICCJ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2COCC2(C)C)C1 ZINC000894984789 583564241 /nfs/dbraw/zinc/56/42/41/583564241.db2.gz KNGUDXONAJRRBT-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CC[NH2+]1 ZINC000895059737 583576172 /nfs/dbraw/zinc/57/61/72/583576172.db2.gz WQSZPCGLNBXGHT-GFCCVEGCSA-N 2 1 234.347 1.672 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC ZINC000895128349 583599972 /nfs/dbraw/zinc/59/99/72/583599972.db2.gz XIQXXIUDIKMWCS-QJPTWQEYSA-N 2 1 242.363 1.258 20 0 BDADMP Cc1ncc(C[N@H+]2CCCCC[C@H]2CO)n1C ZINC000895151731 583607037 /nfs/dbraw/zinc/60/70/37/583607037.db2.gz WWRHGDDCVBXOLK-LBPRGKRZSA-N 2 1 237.347 1.465 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000895301120 583642820 /nfs/dbraw/zinc/64/28/20/583642820.db2.gz ZKFWWMIWIILHGV-UTUOFQBUSA-N 2 1 225.336 1.224 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000895301120 583642821 /nfs/dbraw/zinc/64/28/21/583642821.db2.gz ZKFWWMIWIILHGV-UTUOFQBUSA-N 2 1 225.336 1.224 20 0 BDADMP Cc1nc2c(c(NC[C@H]3CCN3C)n1)CCCC2 ZINC000895771467 583725329 /nfs/dbraw/zinc/72/53/29/583725329.db2.gz ZVQBWGYERQVDSY-LLVKDONJSA-N 2 1 246.358 1.780 20 0 BDADMP C[C@@H]1[C@H](NCc2cn(C)nc2C2CC2)CC[N@@H+]1C ZINC000896554531 583812182 /nfs/dbraw/zinc/81/21/82/583812182.db2.gz UTOZHNCVFWWLQG-ZWNOBZJWSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@@H]1[C@H](NCc2cn(C)nc2C2CC2)CC[N@H+]1C ZINC000896554531 583812183 /nfs/dbraw/zinc/81/21/83/583812183.db2.gz UTOZHNCVFWWLQG-ZWNOBZJWSA-N 2 1 248.374 1.480 20 0 BDADMP CCO[C@H](C[NH2+]C[C@@H]1C[C@H]1C)C[NH+](C)C ZINC000896879714 583844945 /nfs/dbraw/zinc/84/49/45/583844945.db2.gz GHOKFPZWNRJUBL-GRYCIOLGSA-N 2 1 214.353 1.199 20 0 BDADMP CCO[C@@H](C[NH2+]C1CC2(CCC2)C1)C[NH+](C)C ZINC000896880475 583845413 /nfs/dbraw/zinc/84/54/13/583845413.db2.gz WKSTUMIWTNJKSV-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000858093519 588932529 /nfs/dbraw/zinc/93/25/29/588932529.db2.gz AWALWRITLHPAOR-LBPRGKRZSA-N 2 1 249.333 1.795 20 0 BDADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000858093519 588932530 /nfs/dbraw/zinc/93/25/30/588932530.db2.gz AWALWRITLHPAOR-LBPRGKRZSA-N 2 1 249.333 1.795 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000216613678 583897950 /nfs/dbraw/zinc/89/79/50/583897950.db2.gz JTOHZEBWKOOZBW-XJIUSYNZSA-N 2 1 202.729 1.800 20 0 BDADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000897814538 584047177 /nfs/dbraw/zinc/04/71/77/584047177.db2.gz VUHCYAVWWSMUDM-SEBNEYGDSA-N 2 1 248.370 1.379 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CC2)[C@@H](C)C1 ZINC000898202876 584089884 /nfs/dbraw/zinc/08/98/84/584089884.db2.gz DXZDVCZEMIXIGW-FPMFFAJLSA-N 2 1 240.391 1.467 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898204285 584091136 /nfs/dbraw/zinc/09/11/36/584091136.db2.gz REZRGNMQWGHNDA-AWEZNQCLSA-N 2 1 249.358 1.398 20 0 BDADMP CC(C)(O)C[NH+]1CCC([NH2+]C/C=C/Cl)CC1 ZINC000898427752 584132918 /nfs/dbraw/zinc/13/29/18/584132918.db2.gz FHPWRKZAPNQJED-ZZXKWVIFSA-N 2 1 246.782 1.564 20 0 BDADMP Cl/C=C\C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000898430179 584134498 /nfs/dbraw/zinc/13/44/98/584134498.db2.gz WEPIJGPZUXTOFT-RSUUKKISSA-N 2 1 244.766 1.582 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858490081 588960327 /nfs/dbraw/zinc/96/03/27/588960327.db2.gz AXOUBGPBPJTZEJ-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899264416 584188993 /nfs/dbraw/zinc/18/89/93/584188993.db2.gz FELYECUBGRNXBJ-WDEREUQCSA-N 2 1 240.395 1.629 20 0 BDADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899266372 584189756 /nfs/dbraw/zinc/18/97/56/584189756.db2.gz SLADHOODEUWXTK-WDEREUQCSA-N 2 1 238.379 1.241 20 0 BDADMP C[C@@H](NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000899267642 584193200 /nfs/dbraw/zinc/19/32/00/584193200.db2.gz RAKJFNDXXCNUQQ-GHMZBOCLSA-N 2 1 238.379 1.241 20 0 BDADMP C[C@H](Cc1ccccc1F)[NH2+]CC1([NH3+])CC1 ZINC000902406060 584574129 /nfs/dbraw/zinc/57/41/29/584574129.db2.gz KKNAQPQLGQXHFM-SNVBAGLBSA-N 2 1 222.307 1.838 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000902431720 584595637 /nfs/dbraw/zinc/59/56/37/584595637.db2.gz UFTFMULUGTYLHT-AVGNSLFASA-N 2 1 238.375 1.674 20 0 BDADMP NOCCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000902414993 584600491 /nfs/dbraw/zinc/60/04/91/584600491.db2.gz IVZYNBZPGLAOOU-KBPBESRZSA-N 2 1 249.358 1.350 20 0 BDADMP C1C[C@H]2C[C@@H](N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@H+]2C1 ZINC000902475288 584601983 /nfs/dbraw/zinc/60/19/83/584601983.db2.gz HRZQXTNTZMTROF-IKOXMDCHSA-N 2 1 235.375 1.096 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCSCC1 ZINC000902447781 584604739 /nfs/dbraw/zinc/60/47/39/584604739.db2.gz VLAXBPWQSADTDM-SNVBAGLBSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H](CCCC[NH3+])N[C@H]1C[NH2+]CC1(C)C ZINC000902447274 584604966 /nfs/dbraw/zinc/60/49/66/584604966.db2.gz XUOPLVYDYIWIKS-QWRGUYRKSA-N 2 1 213.369 1.092 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448971 584605354 /nfs/dbraw/zinc/60/53/54/584605354.db2.gz KGBHZGDRQKGSJO-NWDGAFQWSA-N 2 1 228.380 1.635 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448973 584605779 /nfs/dbraw/zinc/60/57/79/584605779.db2.gz KGBHZGDRQKGSJO-VXGBXAGGSA-N 2 1 228.380 1.635 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000902450397 584606344 /nfs/dbraw/zinc/60/63/44/584606344.db2.gz RWTPPJJKMYPJLA-UPJWGTAASA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000902454837 584609241 /nfs/dbraw/zinc/60/92/41/584609241.db2.gz IWXRYMOHMCUWHB-UWVGGRQHSA-N 2 1 232.287 1.192 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCCO1 ZINC000902464146 584612174 /nfs/dbraw/zinc/61/21/74/584612174.db2.gz CKMBSZPCKCFBOB-PREPNJAASA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@H+]1C1CC1 ZINC000902465013 584613111 /nfs/dbraw/zinc/61/31/11/584613111.db2.gz FPECVYALCYHSLE-CAFXUDQZSA-N 2 1 235.375 1.094 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H]2CCC[C@H]21 ZINC000902469198 584615899 /nfs/dbraw/zinc/61/58/99/584615899.db2.gz YXFWHCNSIRCEOQ-PEZGRIKUSA-N 2 1 249.402 1.342 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902470817 584616430 /nfs/dbraw/zinc/61/64/30/584616430.db2.gz HEYJNYPHODZYKI-ZOLYEBIHSA-N 2 1 238.375 1.673 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H]2CCC[C@H]21 ZINC000902470622 584616828 /nfs/dbraw/zinc/61/68/28/584616828.db2.gz YXFWHCNSIRCEOQ-XWSJDDSLSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H](O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000902506261 584621745 /nfs/dbraw/zinc/62/17/45/584621745.db2.gz XSNZBUXUHDPWSE-KGYLQXTDSA-N 2 1 226.364 1.268 20 0 BDADMP O[C@@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000902506331 584622247 /nfs/dbraw/zinc/62/22/47/584622247.db2.gz YBJXJVBPRNRCGF-NWDGAFQWSA-N 2 1 224.348 1.022 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCCCC[NH2+]2)CC[N@H+]1C ZINC000902481205 584623005 /nfs/dbraw/zinc/62/30/05/584623005.db2.gz BGTCMQOQECQYLX-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000902488669 584627558 /nfs/dbraw/zinc/62/75/58/584627558.db2.gz ZOAFSPGCDKGIIC-HTVCTNPSSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000902488669 584627559 /nfs/dbraw/zinc/62/75/59/584627559.db2.gz ZOAFSPGCDKGIIC-HTVCTNPSSA-N 2 1 237.391 1.186 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000902488671 584627578 /nfs/dbraw/zinc/62/75/78/584627578.db2.gz ZOAFSPGCDKGIIC-POQQGIQPSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000902488671 584627580 /nfs/dbraw/zinc/62/75/80/584627580.db2.gz ZOAFSPGCDKGIIC-POQQGIQPSA-N 2 1 237.391 1.186 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000902514001 584629270 /nfs/dbraw/zinc/62/92/70/584629270.db2.gz KDHPJLXWYLMSIG-UPJWGTAASA-N 2 1 229.412 1.678 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C)[C@@H](C)C1 ZINC000903321605 584747079 /nfs/dbraw/zinc/74/70/79/584747079.db2.gz AXOQWOHIYNEDNS-AVGNSLFASA-N 2 1 225.380 1.010 20 0 BDADMP CN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316719 584750048 /nfs/dbraw/zinc/75/00/48/584750048.db2.gz QNMNUVMJQCSPDP-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431021 584761775 /nfs/dbraw/zinc/76/17/75/584761775.db2.gz DABMGAWOZBWRDK-OLZOCXBDSA-N 2 1 234.343 1.951 20 0 BDADMP COC[C@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)C(C)C ZINC000903427621 584761858 /nfs/dbraw/zinc/76/18/58/584761858.db2.gz ZNNRSCYNXGBOOY-STQMWFEESA-N 2 1 230.396 1.868 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903420541 584763604 /nfs/dbraw/zinc/76/36/04/584763604.db2.gz BTTLEPUYGIBDIJ-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903459196 584765844 /nfs/dbraw/zinc/76/58/44/584765844.db2.gz DQYZNSIPRHGITP-KSTCHIGDSA-N 3 1 239.407 1.419 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464941 584767160 /nfs/dbraw/zinc/76/71/60/584767160.db2.gz ZWKZIOGTECERQO-VOAKCMCISA-N 2 1 208.349 1.846 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447118 584770617 /nfs/dbraw/zinc/77/06/17/584770617.db2.gz FTSVTNDBOPPJSO-GFCCVEGCSA-N 2 1 246.358 1.613 20 0 BDADMP COC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454870 584773481 /nfs/dbraw/zinc/77/34/81/584773481.db2.gz LZFXCRHWDOYZDN-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOC1CC1 ZINC000903455087 584773649 /nfs/dbraw/zinc/77/36/49/584773649.db2.gz PNYUIERNZNIEQR-SNVBAGLBSA-N 2 1 200.326 1.128 20 0 BDADMP C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903471864 584775393 /nfs/dbraw/zinc/77/53/93/584775393.db2.gz VDYKPXCIRLTZDK-QWHCGFSZSA-N 2 1 237.391 1.250 20 0 BDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000903470915 584775577 /nfs/dbraw/zinc/77/55/77/584775577.db2.gz PPTVFGITZYGIMK-CYBMUJFWSA-N 2 1 248.374 1.374 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)O1 ZINC000903470833 584775630 /nfs/dbraw/zinc/77/56/30/584775630.db2.gz DUUHPKSPKDGAKB-IJLUTSLNSA-N 2 1 224.348 1.428 20 0 BDADMP FC(F)OCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481802 584778093 /nfs/dbraw/zinc/77/80/93/584778093.db2.gz NHJOKCAOMRXUII-VIFPVBQESA-N 2 1 234.290 1.490 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903482181 584778819 /nfs/dbraw/zinc/77/88/19/584778819.db2.gz YWZCJLYQKJDMLM-MQYQWHSLSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@]23CCOC3)C[C@H]1CC[NH3+] ZINC000903499330 584779958 /nfs/dbraw/zinc/77/99/58/584779958.db2.gz RGMYHWLZVJEYLH-SYQHCUMBSA-N 2 1 238.375 1.330 20 0 BDADMP CCCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499711 584780349 /nfs/dbraw/zinc/78/03/49/584780349.db2.gz MBVDCYNVQBULKU-GRYCIOLGSA-N 2 1 242.363 1.245 20 0 BDADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000903563410 584782450 /nfs/dbraw/zinc/78/24/50/584782450.db2.gz BOJHZLOSXMIYGW-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@@H]1[NH3+] ZINC000903560053 584782592 /nfs/dbraw/zinc/78/25/92/584782592.db2.gz RPIVAAUSYNNDOC-GVXVVHGQSA-N 2 1 224.348 1.082 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@@H]1[NH3+] ZINC000903560053 584782593 /nfs/dbraw/zinc/78/25/93/584782593.db2.gz RPIVAAUSYNNDOC-GVXVVHGQSA-N 2 1 224.348 1.082 20 0 BDADMP CNCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000903575248 584784184 /nfs/dbraw/zinc/78/41/84/584784184.db2.gz KNPRGBDNEVCIJL-NEPJUHHUSA-N 2 1 213.369 1.044 20 0 BDADMP CNCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000903575248 584784187 /nfs/dbraw/zinc/78/41/87/584784187.db2.gz KNPRGBDNEVCIJL-NEPJUHHUSA-N 2 1 213.369 1.044 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903717159 584792377 /nfs/dbraw/zinc/79/23/77/584792377.db2.gz IDEPSATZMCOYEG-UONOGXRCSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903717159 584792379 /nfs/dbraw/zinc/79/23/79/584792379.db2.gz IDEPSATZMCOYEG-UONOGXRCSA-N 3 1 241.423 1.681 20 0 BDADMP C[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730644 584792931 /nfs/dbraw/zinc/79/29/31/584792931.db2.gz YFSJDLDJZAHMKL-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903730439 584793015 /nfs/dbraw/zinc/79/30/15/584793015.db2.gz WHFFVTWEJIZAGE-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903713497 584793805 /nfs/dbraw/zinc/79/38/05/584793805.db2.gz SVBZMBDWJYDBJG-NSHDSACASA-N 2 1 240.326 1.023 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903713497 584793806 /nfs/dbraw/zinc/79/38/06/584793806.db2.gz SVBZMBDWJYDBJG-NSHDSACASA-N 2 1 240.326 1.023 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715873 584794251 /nfs/dbraw/zinc/79/42/51/584794251.db2.gz BBDQNLABSKWBAP-MELADBBJSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715873 584794252 /nfs/dbraw/zinc/79/42/52/584794252.db2.gz BBDQNLABSKWBAP-MELADBBJSA-N 3 1 239.407 1.435 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903747249 584795083 /nfs/dbraw/zinc/79/50/83/584795083.db2.gz QMBULJLJDSDCRQ-UONOGXRCSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734382 584796183 /nfs/dbraw/zinc/79/61/83/584796183.db2.gz YSLOXZXBSJIHPV-RFQIPJPRSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903763452 584797021 /nfs/dbraw/zinc/79/70/21/584797021.db2.gz KAHQFSZNWMAPRL-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903767426 584798256 /nfs/dbraw/zinc/79/82/56/584798256.db2.gz XIQVRSRCDKXPQQ-MJBXVCDLSA-N 2 1 238.375 1.344 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2cnn(CCF)c2)C[C@@H]1[NH3+] ZINC000903782273 584800101 /nfs/dbraw/zinc/80/01/01/584800101.db2.gz ISXOBPKQVZAFMK-WDEREUQCSA-N 2 1 240.326 1.068 20 0 BDADMP C[N@@H+](CCCF)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784225 584800222 /nfs/dbraw/zinc/80/02/22/584800222.db2.gz LXUXCRAZVARDHB-RYUDHWBXSA-N 2 1 230.327 1.046 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000903782272 584800282 /nfs/dbraw/zinc/80/02/82/584800282.db2.gz ISXOBPKQVZAFMK-QWRGUYRKSA-N 2 1 240.326 1.068 20 0 BDADMP C(C1CCC1)[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815702 584800991 /nfs/dbraw/zinc/80/09/91/584800991.db2.gz QARUPPQYWVYETP-UHFFFAOYSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])O1 ZINC000903801678 584801927 /nfs/dbraw/zinc/80/19/27/584801927.db2.gz PAOWPLHVNUAHSL-RQJABVFESA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])O1 ZINC000903801678 584801928 /nfs/dbraw/zinc/80/19/28/584801928.db2.gz PAOWPLHVNUAHSL-RQJABVFESA-N 2 1 238.375 1.757 20 0 BDADMP C[C@]12C[N@@H+](CCC[NH3+])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826317 584805075 /nfs/dbraw/zinc/80/50/75/584805075.db2.gz IBJAJNMXKLDIMA-QNWHQSFQSA-N 2 1 206.333 1.479 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903831643 584805952 /nfs/dbraw/zinc/80/59/52/584805952.db2.gz LTDIPFAPBOJFLN-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903831913 584806165 /nfs/dbraw/zinc/80/61/65/584806165.db2.gz NQZKZBXFYYKXME-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903831645 584806254 /nfs/dbraw/zinc/80/62/54/584806254.db2.gz LTDIPFAPBOJFLN-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)OCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903852681 584808099 /nfs/dbraw/zinc/80/80/99/584808099.db2.gz BSUSBPJWBCVGDD-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903852681 584808100 /nfs/dbraw/zinc/80/81/00/584808100.db2.gz BSUSBPJWBCVGDD-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP COCCCCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903854467 584808577 /nfs/dbraw/zinc/80/85/77/584808577.db2.gz JGMCJHAQCLKYDG-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903854467 584808578 /nfs/dbraw/zinc/80/85/78/584808578.db2.gz JGMCJHAQCLKYDG-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CCOCCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857984 584810149 /nfs/dbraw/zinc/81/01/49/584810149.db2.gz XDBTYOVOZABXMR-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857984 584810150 /nfs/dbraw/zinc/81/01/50/584810150.db2.gz XDBTYOVOZABXMR-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1C[C@@]12CCOC2 ZINC000903859215 584811051 /nfs/dbraw/zinc/81/10/51/584811051.db2.gz LOUHLWAWIXDPBH-AAVRWANBSA-N 2 1 236.359 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1C[C@@]12CCOC2 ZINC000903859215 584811052 /nfs/dbraw/zinc/81/10/52/584811052.db2.gz LOUHLWAWIXDPBH-AAVRWANBSA-N 2 1 236.359 1.226 20 0 BDADMP CC1CC(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903864088 584813043 /nfs/dbraw/zinc/81/30/43/584813043.db2.gz QYMSSMUWJMNIPQ-TUUUFIMRSA-N 2 1 208.349 1.846 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903864088 584813044 /nfs/dbraw/zinc/81/30/44/584813044.db2.gz QYMSSMUWJMNIPQ-TUUUFIMRSA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC[C@@H]1CCCCO1 ZINC000903861988 584813405 /nfs/dbraw/zinc/81/34/05/584813405.db2.gz ZTYZLDYGLQSZJL-HZSPNIEDSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC[C@@H]1CCCCO1 ZINC000903861988 584813406 /nfs/dbraw/zinc/81/34/06/584813406.db2.gz ZTYZLDYGLQSZJL-HZSPNIEDSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000903871538 584815388 /nfs/dbraw/zinc/81/53/88/584815388.db2.gz RMEIEHNAPPTCRO-XQQFMLRXSA-N 2 1 240.416 1.671 20 0 BDADMP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)N1 ZINC000903873700 584815855 /nfs/dbraw/zinc/81/58/55/584815855.db2.gz KVEGDHRICJEFFB-LSPKCERGSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC000903873700 584815856 /nfs/dbraw/zinc/81/58/56/584815856.db2.gz KVEGDHRICJEFFB-LSPKCERGSA-N 2 1 237.391 1.199 20 0 BDADMP CC1(C)CNCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873473 584816123 /nfs/dbraw/zinc/81/61/23/584816123.db2.gz ILHODMQVNDQPHD-YHWZYXNKSA-N 2 1 237.391 1.201 20 0 BDADMP CC1(C)C[NH2+]CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873473 584816124 /nfs/dbraw/zinc/81/61/24/584816124.db2.gz ILHODMQVNDQPHD-YHWZYXNKSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903881619 584817665 /nfs/dbraw/zinc/81/76/65/584817665.db2.gz HWFLEHIOVUJSLV-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905733 584821011 /nfs/dbraw/zinc/82/10/11/584821011.db2.gz MRVYTMKKOJVUPX-WTUNAVPPSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@]1(CN)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905733 584821012 /nfs/dbraw/zinc/82/10/12/584821012.db2.gz MRVYTMKKOJVUPX-WTUNAVPPSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@]1(CN)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905733 584821013 /nfs/dbraw/zinc/82/10/13/584821013.db2.gz MRVYTMKKOJVUPX-WTUNAVPPSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905732 584821047 /nfs/dbraw/zinc/82/10/47/584821047.db2.gz MRVYTMKKOJVUPX-GSPSYOTPSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@]1(CN)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905732 584821048 /nfs/dbraw/zinc/82/10/48/584821048.db2.gz MRVYTMKKOJVUPX-GSPSYOTPSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@]1(CN)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903905732 584821049 /nfs/dbraw/zinc/82/10/49/584821049.db2.gz MRVYTMKKOJVUPX-GSPSYOTPSA-N 2 1 237.391 1.188 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903905374 584821323 /nfs/dbraw/zinc/82/13/23/584821323.db2.gz DDSLUXZEOVSUTI-UWVGGRQHSA-N 3 1 235.322 1.030 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903905374 584821324 /nfs/dbraw/zinc/82/13/24/584821324.db2.gz DDSLUXZEOVSUTI-UWVGGRQHSA-N 3 1 235.322 1.030 20 0 BDADMP N[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903905374 584821325 /nfs/dbraw/zinc/82/13/25/584821325.db2.gz DDSLUXZEOVSUTI-UWVGGRQHSA-N 2 1 235.322 1.030 20 0 BDADMP N[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903905374 584821326 /nfs/dbraw/zinc/82/13/26/584821326.db2.gz DDSLUXZEOVSUTI-UWVGGRQHSA-N 2 1 235.322 1.030 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918732 584822844 /nfs/dbraw/zinc/82/28/44/584822844.db2.gz GPYJQCMPEZWUBD-PSEXLTFBSA-N 3 1 239.407 1.480 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903954036 584831197 /nfs/dbraw/zinc/83/11/97/584831197.db2.gz OICQEDRPXKGRFP-GHMZBOCLSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903953676 584831630 /nfs/dbraw/zinc/83/16/30/584831630.db2.gz IULBPTXIUVSATP-HBNTYKKESA-N 2 1 248.317 1.470 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903953676 584831631 /nfs/dbraw/zinc/83/16/31/584831631.db2.gz IULBPTXIUVSATP-HBNTYKKESA-N 2 1 248.317 1.470 20 0 BDADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cccnc1 ZINC000903955234 584832168 /nfs/dbraw/zinc/83/21/68/584832168.db2.gz NLLSNJYKFMSGPR-LLVKDONJSA-N 2 1 241.285 1.416 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903963602 584833652 /nfs/dbraw/zinc/83/36/52/584833652.db2.gz BYPVTCYWMXUPBL-NTZNESFSSA-N 2 1 249.358 1.219 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000903964860 584834562 /nfs/dbraw/zinc/83/45/62/584834562.db2.gz XDIPFYTXBKNCRH-QMTHXVAHSA-N 2 1 216.328 1.351 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903968308 584835243 /nfs/dbraw/zinc/83/52/43/584835243.db2.gz SBZQLSIWVCPPGH-OLZOCXBDSA-N 3 1 239.407 1.304 20 0 BDADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000904299555 584860622 /nfs/dbraw/zinc/86/06/22/584860622.db2.gz HSFJALUZKCSVSR-TXEJJXNPSA-N 3 1 225.380 1.188 20 0 BDADMP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCNCC1 ZINC000904299555 584860623 /nfs/dbraw/zinc/86/06/23/584860623.db2.gz HSFJALUZKCSVSR-TXEJJXNPSA-N 2 1 225.380 1.188 20 0 BDADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCNCC1 ZINC000904299555 584860624 /nfs/dbraw/zinc/86/06/24/584860624.db2.gz HSFJALUZKCSVSR-TXEJJXNPSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000904301492 584861103 /nfs/dbraw/zinc/86/11/03/584861103.db2.gz MDNBSKPOSRTSAT-RUXDESIVSA-N 3 1 239.407 1.578 20 0 BDADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000904301491 584861612 /nfs/dbraw/zinc/86/16/12/584861612.db2.gz MDNBSKPOSRTSAT-JXQTWKCFSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H](C1CC1)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904310303 584862565 /nfs/dbraw/zinc/86/25/65/584862565.db2.gz ZPYNWJDAAZZEIM-FOGDFJRCSA-N 2 1 208.349 1.987 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311819 584862624 /nfs/dbraw/zinc/86/26/24/584862624.db2.gz HTQVNNHHQXBCQO-YPMHNXCESA-N 2 1 242.363 1.117 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000904312741 584863641 /nfs/dbraw/zinc/86/36/41/584863641.db2.gz SBJCRTATKYRLOT-UTUOFQBUSA-N 2 1 234.347 1.326 20 0 BDADMP COC(=O)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904325284 584865193 /nfs/dbraw/zinc/86/51/93/584865193.db2.gz VAWJLSYBPLWCOS-PHIMTYICSA-N 2 1 240.347 1.141 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](CO)C(C)(C)C ZINC000904327019 584865565 /nfs/dbraw/zinc/86/55/65/584865565.db2.gz XCXPCCNXXKBYAZ-AXFHLTTASA-N 2 1 214.353 1.063 20 0 BDADMP Cc1ccc(C[N@@H+](CCO)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904332905 584866139 /nfs/dbraw/zinc/86/61/39/584866139.db2.gz TWCOKOHHZAMHTR-GASCZTMLSA-N 2 1 248.370 1.527 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@H]1O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904329509 584866164 /nfs/dbraw/zinc/86/61/64/584866164.db2.gz ZVRCOBFAWGCDIL-MJBXVCDLSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCC[C@@H]1O ZINC000904328563 584866250 /nfs/dbraw/zinc/86/62/50/584866250.db2.gz GXHDIDZPQFNPIG-NDBYEHHHSA-N 2 1 226.364 1.207 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Cc3ccncc3)C2)C1 ZINC000904341232 584867312 /nfs/dbraw/zinc/86/73/12/584867312.db2.gz LKQPDLUGQQMFBZ-KFWWJZLASA-N 2 1 245.370 1.683 20 0 BDADMP C[N@H+](CCc1cnccn1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904344145 584867677 /nfs/dbraw/zinc/86/76/77/584867677.db2.gz ZVYFMQPFEWYIID-AWEZNQCLSA-N 2 1 248.374 1.341 20 0 BDADMP C[N@@H+](CCc1cnccn1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904344145 584867678 /nfs/dbraw/zinc/86/76/78/584867678.db2.gz ZVYFMQPFEWYIID-AWEZNQCLSA-N 2 1 248.374 1.341 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000904351010 584869328 /nfs/dbraw/zinc/86/93/28/584869328.db2.gz UAJORCTWLQDFQW-HNNXBMFYSA-N 3 1 245.370 1.331 20 0 BDADMP [NH3+]Cc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000904351010 584869329 /nfs/dbraw/zinc/86/93/29/584869329.db2.gz UAJORCTWLQDFQW-HNNXBMFYSA-N 2 1 245.370 1.331 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000904376246 584875820 /nfs/dbraw/zinc/87/58/20/584875820.db2.gz NHKARBJZXCDIEV-FVCCEPFGSA-N 3 1 225.380 1.173 20 0 BDADMP CCC(C)(C)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904376441 584876002 /nfs/dbraw/zinc/87/60/02/584876002.db2.gz SEJIKQJHFPHZSL-BETUJISGSA-N 2 1 239.407 1.530 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000904385731 584877964 /nfs/dbraw/zinc/87/79/64/584877964.db2.gz DDWCTMILXOUKKS-FVCCEPFGSA-N 2 1 224.348 1.225 20 0 BDADMP CCC1([NH3+])CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000904385633 584878082 /nfs/dbraw/zinc/87/80/82/584878082.db2.gz AOHNGPQZVBLQAR-UHFFFAOYSA-N 2 1 247.386 1.849 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904385484 584878142 /nfs/dbraw/zinc/87/81/42/584878142.db2.gz ZDPHAKPJPNITJW-SCRDCRAPSA-N 2 1 239.407 1.421 20 0 BDADMP CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904385484 584878144 /nfs/dbraw/zinc/87/81/44/584878144.db2.gz ZDPHAKPJPNITJW-SCRDCRAPSA-N 2 1 239.407 1.421 20 0 BDADMP CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904385484 584878146 /nfs/dbraw/zinc/87/81/46/584878146.db2.gz ZDPHAKPJPNITJW-SCRDCRAPSA-N 2 1 239.407 1.421 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406272 584878354 /nfs/dbraw/zinc/87/83/54/584878354.db2.gz DRSJHKIMPNWPNL-CHWSQXEVSA-N 3 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@H](CC[NH3+])C1 ZINC000904406272 584878355 /nfs/dbraw/zinc/87/83/55/584878355.db2.gz DRSJHKIMPNWPNL-CHWSQXEVSA-N 2 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@@H](N)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406272 584878356 /nfs/dbraw/zinc/87/83/56/584878356.db2.gz DRSJHKIMPNWPNL-CHWSQXEVSA-N 2 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@@H](N)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406272 584878357 /nfs/dbraw/zinc/87/83/57/584878357.db2.gz DRSJHKIMPNWPNL-CHWSQXEVSA-N 2 1 241.423 1.811 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000904405635 584878400 /nfs/dbraw/zinc/87/84/00/584878400.db2.gz LTGPCACHEQHMFT-LBPRGKRZSA-N 2 1 245.370 1.825 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@H]1C[NH3+] ZINC000904410285 584878909 /nfs/dbraw/zinc/87/89/09/584878909.db2.gz OACHMORCFNDFGG-BDAKNGLRSA-N 2 1 240.376 1.142 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@@H]1C[NH3+] ZINC000904410095 584878981 /nfs/dbraw/zinc/87/89/81/584878981.db2.gz AJUSPKUIMTYGGN-DGCLKSJQSA-N 2 1 234.343 1.809 20 0 BDADMP CC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815146204 584973277 /nfs/dbraw/zinc/97/32/77/584973277.db2.gz NTTZNHZEOYWFBC-ZDUSSCGKSA-N 2 1 224.348 1.383 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738877385 585054003 /nfs/dbraw/zinc/05/40/03/585054003.db2.gz QFSZHVWZYIXHKJ-UHFFFAOYSA-N 3 1 227.396 1.212 20 0 BDADMP CN(C)CCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000738877385 585054004 /nfs/dbraw/zinc/05/40/04/585054004.db2.gz QFSZHVWZYIXHKJ-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP CN(C)CCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738877385 585054005 /nfs/dbraw/zinc/05/40/05/585054005.db2.gz QFSZHVWZYIXHKJ-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)C2CC2)C1 ZINC000838862565 585076052 /nfs/dbraw/zinc/07/60/52/585076052.db2.gz KTBYRPWAGLWNTA-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838862565 585076053 /nfs/dbraw/zinc/07/60/53/585076053.db2.gz KTBYRPWAGLWNTA-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838862565 585076054 /nfs/dbraw/zinc/07/60/54/585076054.db2.gz KTBYRPWAGLWNTA-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000886832173 585181175 /nfs/dbraw/zinc/18/11/75/585181175.db2.gz CFCHUXGCABPSGG-RFQIPJPRSA-N 2 1 236.359 1.239 20 0 BDADMP CCc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)n[nH]1 ZINC000754792403 585291061 /nfs/dbraw/zinc/29/10/61/585291061.db2.gz BIQFDCHDRGOIGF-GXTWGEPZSA-N 2 1 248.374 1.689 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOC1CCC1 ZINC000759159427 585364537 /nfs/dbraw/zinc/36/45/37/585364537.db2.gz VNNSNYBFTYVTQA-UHFFFAOYSA-N 2 1 249.358 1.806 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CCF)C[C@@H]1C ZINC000759342295 585369151 /nfs/dbraw/zinc/36/91/51/585369151.db2.gz GUVJSPAATOGQIX-WDEREUQCSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@@H]1C[C@@H](NCc2ccc(F)nc2)CC[N@H+]1C ZINC000778172379 585726752 /nfs/dbraw/zinc/72/67/52/585726752.db2.gz IOWKMGIRSLYLOZ-PWSUYJOCSA-N 2 1 237.322 1.793 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)CCN1C ZINC000778172379 585726753 /nfs/dbraw/zinc/72/67/53/585726753.db2.gz IOWKMGIRSLYLOZ-PWSUYJOCSA-N 2 1 237.322 1.793 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779411700 585753910 /nfs/dbraw/zinc/75/39/10/585753910.db2.gz GPKLMHJNPRJDIE-KGLIPLIRSA-N 2 1 242.407 1.715 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000780566469 585781509 /nfs/dbraw/zinc/78/15/09/585781509.db2.gz FDKNEHOKLOIFRD-CYBMUJFWSA-N 2 1 247.342 1.930 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)[C@H](C)C1 ZINC000783308801 585833393 /nfs/dbraw/zinc/83/33/93/585833393.db2.gz FTMBDHXIHBTXIO-MCIONIFRSA-N 2 1 238.375 1.999 20 0 BDADMP COCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000788327077 585922032 /nfs/dbraw/zinc/92/20/32/585922032.db2.gz LDGJLYIRNDJBSE-LBPRGKRZSA-N 2 1 235.331 1.239 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788475120 585925102 /nfs/dbraw/zinc/92/51/02/585925102.db2.gz BEHPUTNODOLQDE-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000788475120 585925103 /nfs/dbraw/zinc/92/51/03/585925103.db2.gz BEHPUTNODOLQDE-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000788471072 585925301 /nfs/dbraw/zinc/92/53/01/585925301.db2.gz SSKLKAVAPQUZJZ-VXGBXAGGSA-N 2 1 226.364 1.437 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCOCC23CCC3)CC1 ZINC000788486487 585925509 /nfs/dbraw/zinc/92/55/09/585925509.db2.gz YDUVPBGONHHPBD-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP Cc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)n(C)n1 ZINC000793525697 586021660 /nfs/dbraw/zinc/02/16/60/586021660.db2.gz JPGQXLMLUADHCK-PWSUYJOCSA-N 2 1 238.379 1.719 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000798179440 586138583 /nfs/dbraw/zinc/13/85/83/586138583.db2.gz ALPDKCJNIZPBGM-SNVBAGLBSA-N 2 1 240.347 1.154 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc[nH]3)C2)CC1 ZINC000799179608 586165879 /nfs/dbraw/zinc/16/58/79/586165879.db2.gz PEZUQYGWAGHZRU-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP C[NH+]1CCC2(CCC[N@H+](Cc3c[nH]cn3)C2)CC1 ZINC000799179608 586165881 /nfs/dbraw/zinc/16/58/81/586165881.db2.gz PEZUQYGWAGHZRU-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c[nH]cn3)C2)CC1 ZINC000799179608 586165882 /nfs/dbraw/zinc/16/58/82/586165882.db2.gz PEZUQYGWAGHZRU-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCC=CO1 ZINC000809750406 586517200 /nfs/dbraw/zinc/51/72/00/586517200.db2.gz UUJWINRZADHKBW-CYBMUJFWSA-N 2 1 226.364 1.953 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912790 586837971 /nfs/dbraw/zinc/83/79/71/586837971.db2.gz IONVZQXFYKGTBY-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC000817965684 586854319 /nfs/dbraw/zinc/85/43/19/586854319.db2.gz BSXLHFGPCFLIGK-MFKMUULPSA-N 2 1 204.317 1.919 20 0 BDADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)C2CC2)[nH+]c1 ZINC000819129416 586932361 /nfs/dbraw/zinc/93/23/61/586932361.db2.gz IPZUCSHRECLUCA-CYBMUJFWSA-N 2 1 249.358 1.553 20 0 BDADMP CC(C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820809848 587074164 /nfs/dbraw/zinc/07/41/64/587074164.db2.gz JCYXRJMOKLPIHW-VGPLMAKISA-N 2 1 238.375 1.505 20 0 BDADMP C[C@@H](CCO)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834910689 587770262 /nfs/dbraw/zinc/77/02/62/587770262.db2.gz WDSPMEBMJKFFDZ-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C(F)F)C2)CC[NH2+]1 ZINC000841021714 587935568 /nfs/dbraw/zinc/93/55/68/587935568.db2.gz FFOZRNXJMBERIT-GMTAPVOTSA-N 2 1 248.317 1.340 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000841020162 587935728 /nfs/dbraw/zinc/93/57/28/587935728.db2.gz NTCMXQIOXMVGPS-NSHDSACASA-N 2 1 205.305 1.220 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000841061583 587941653 /nfs/dbraw/zinc/94/16/53/587941653.db2.gz KQGKMXDIRCOFBS-ONGXEEELSA-N 2 1 239.750 1.965 20 0 BDADMP CN(C)c1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000842291923 588014322 /nfs/dbraw/zinc/01/43/22/588014322.db2.gz NLTCWDWXUCUJQC-NXEZZACHSA-N 2 1 235.335 1.224 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842475343 588028487 /nfs/dbraw/zinc/02/84/87/588028487.db2.gz PKEUGXPHIHRQKV-AWEZNQCLSA-N 2 1 240.391 1.615 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843052080 588076665 /nfs/dbraw/zinc/07/66/65/588076665.db2.gz FTPHCPLNZXGYPQ-ZDUSSCGKSA-N 2 1 246.354 1.758 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843052080 588076667 /nfs/dbraw/zinc/07/66/67/588076667.db2.gz FTPHCPLNZXGYPQ-ZDUSSCGKSA-N 2 1 246.354 1.758 20 0 BDADMP C[N@H+](CC[NH2+]C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843055295 588077475 /nfs/dbraw/zinc/07/74/75/588077475.db2.gz WGKZCXHRQSTSBT-UHFFFAOYSA-N 3 1 227.396 1.576 20 0 BDADMP C[N@@H+](CC[NH2+]C(C)(C)C)C1CCC([NH3+])CC1 ZINC000843055295 588077476 /nfs/dbraw/zinc/07/74/76/588077476.db2.gz WGKZCXHRQSTSBT-UHFFFAOYSA-N 3 1 227.396 1.576 20 0 BDADMP Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000843118498 588082661 /nfs/dbraw/zinc/08/26/61/588082661.db2.gz JOWCJMXIBAGDTL-AWEZNQCLSA-N 2 1 246.358 1.239 20 0 BDADMP Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000843118498 588082663 /nfs/dbraw/zinc/08/26/63/588082663.db2.gz JOWCJMXIBAGDTL-AWEZNQCLSA-N 2 1 246.358 1.239 20 0 BDADMP C[C@H]1CNCC[N@@H+]1CCCCCCC[NH3+] ZINC000843347316 588100197 /nfs/dbraw/zinc/10/01/97/588100197.db2.gz QKARBDVIQOWTKK-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP C[C@H]1CNCC[N@H+]1CCCCCCC[NH3+] ZINC000843347316 588100198 /nfs/dbraw/zinc/10/01/98/588100198.db2.gz QKARBDVIQOWTKK-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343709 588101276 /nfs/dbraw/zinc/10/12/76/588101276.db2.gz FSOPBGDOCSKRHH-RYUDHWBXSA-N 3 1 213.369 1.093 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347738 588102480 /nfs/dbraw/zinc/10/24/80/588102480.db2.gz JLNQMVVHGPYDDX-ZDUSSCGKSA-N 3 1 227.396 1.566 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000843352490 588103216 /nfs/dbraw/zinc/10/32/16/588103216.db2.gz HFIYJZJUHMKTFS-ZDUSSCGKSA-N 3 1 227.396 1.579 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000843352490 588103217 /nfs/dbraw/zinc/10/32/17/588103217.db2.gz HFIYJZJUHMKTFS-ZDUSSCGKSA-N 3 1 227.396 1.579 20 0 BDADMP CCCCOC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843362614 588104547 /nfs/dbraw/zinc/10/45/47/588104547.db2.gz LENQZZPCENNHAH-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000843377588 588105284 /nfs/dbraw/zinc/10/52/84/588105284.db2.gz DRSJEIOPFRFMQZ-BETUJISGSA-N 3 1 225.380 1.047 20 0 BDADMP CC[NH2+]CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000844183099 588172001 /nfs/dbraw/zinc/17/20/01/588172001.db2.gz REJQAJBWDWVUKL-UHFFFAOYSA-N 2 1 247.342 1.075 20 0 BDADMP CC[NH2+]CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000844183099 588172003 /nfs/dbraw/zinc/17/20/03/588172003.db2.gz REJQAJBWDWVUKL-UHFFFAOYSA-N 2 1 247.342 1.075 20 0 BDADMP [NH3+]CC1(CC[NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000844919078 588219423 /nfs/dbraw/zinc/21/94/23/588219423.db2.gz BXPQTLYHQMDDAG-LLVKDONJSA-N 2 1 234.347 1.506 20 0 BDADMP NC[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846216927 588259575 /nfs/dbraw/zinc/25/95/75/588259575.db2.gz YCKBNAFEHJVTJD-LBPRGKRZSA-N 2 1 213.369 1.319 20 0 BDADMP [NH3+]CCCCCCN1CCCC[C@H]1C[NH3+] ZINC000846216927 588259576 /nfs/dbraw/zinc/25/95/76/588259576.db2.gz YCKBNAFEHJVTJD-LBPRGKRZSA-N 2 1 213.369 1.319 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220898 588259978 /nfs/dbraw/zinc/25/99/78/588259978.db2.gz XPTUDANFQFTLSA-VXGBXAGGSA-N 3 1 213.369 1.175 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000846217197 588260319 /nfs/dbraw/zinc/26/03/19/588260319.db2.gz CKVOHEBUOVXLHF-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000846217197 588260320 /nfs/dbraw/zinc/26/03/20/588260320.db2.gz CKVOHEBUOVXLHF-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000846220392 588261259 /nfs/dbraw/zinc/26/12/59/588261259.db2.gz IDMWCCSDAVKJHN-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000846220392 588261260 /nfs/dbraw/zinc/26/12/60/588261260.db2.gz IDMWCCSDAVKJHN-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP COC[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000846221380 588261375 /nfs/dbraw/zinc/26/13/75/588261375.db2.gz XYJKQAHLMLNVLG-STQMWFEESA-N 2 1 244.379 1.241 20 0 BDADMP Cc1noc(C[N@H+](C)CCCCCCC[NH3+])n1 ZINC000848600822 588401380 /nfs/dbraw/zinc/40/13/80/588401380.db2.gz VDWCIRVUTXRRSD-UHFFFAOYSA-N 2 1 240.351 1.719 20 0 BDADMP Cc1noc(C[N@@H+](C)CCCCCCC[NH3+])n1 ZINC000848600822 588401382 /nfs/dbraw/zinc/40/13/82/588401382.db2.gz VDWCIRVUTXRRSD-UHFFFAOYSA-N 2 1 240.351 1.719 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCn3ccnc32)C1 ZINC000848720970 588408385 /nfs/dbraw/zinc/40/83/85/588408385.db2.gz WDUKKCHZEQJIKM-VWYCJHECSA-N 2 1 220.320 1.187 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000848719506 588408435 /nfs/dbraw/zinc/40/84/35/588408435.db2.gz HQXZUHLEJWMJJP-NXEZZACHSA-N 2 1 223.295 1.580 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3ccnc32)C1 ZINC000848720967 588408551 /nfs/dbraw/zinc/40/85/51/588408551.db2.gz WDUKKCHZEQJIKM-MXWKQRLJSA-N 2 1 220.320 1.187 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000848981013 588423834 /nfs/dbraw/zinc/42/38/34/588423834.db2.gz VCHSIAXICASTTD-QWRGUYRKSA-N 2 1 226.368 1.383 20 0 BDADMP CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848987277 588426069 /nfs/dbraw/zinc/42/60/69/588426069.db2.gz WXOMLJACCBEQHJ-QWRGUYRKSA-N 2 1 226.368 1.383 20 0 BDADMP CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000848987174 588426224 /nfs/dbraw/zinc/42/62/24/588426224.db2.gz LIVFUOJJZPJNQD-GHMZBOCLSA-N 2 1 226.368 1.241 20 0 BDADMP C[C@H](CNC(=[NH2+])N(C)C)[N@H+]1CCCC[C@@H]1C ZINC000848987409 588426500 /nfs/dbraw/zinc/42/65/00/588426500.db2.gz ULAKZQIIFHUNMV-WDEREUQCSA-N 2 1 226.368 1.335 20 0 BDADMP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996266 588429028 /nfs/dbraw/zinc/42/90/28/588429028.db2.gz NJRPERSDLNYSKQ-GFCCVEGCSA-N 2 1 240.395 1.583 20 0 BDADMP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+](C)C ZINC000848996570 588429232 /nfs/dbraw/zinc/42/92/32/588429232.db2.gz GGSZHHRUFBYPKV-MNOVXSKESA-N 2 1 226.368 1.193 20 0 BDADMP CCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000849023218 588439540 /nfs/dbraw/zinc/43/95/40/588439540.db2.gz ZCLXUNRJTFKLIZ-LLVKDONJSA-N 2 1 224.352 1.137 20 0 BDADMP CCNC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849024008 588439732 /nfs/dbraw/zinc/43/97/32/588439732.db2.gz NXRPGILNISGSIC-SNVBAGLBSA-N 2 1 226.368 1.241 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC1=[NH+]CCCCN1 ZINC000849216019 588462449 /nfs/dbraw/zinc/46/24/49/588462449.db2.gz QCYYICJVMHIWGX-GFCCVEGCSA-N 2 1 238.379 1.190 20 0 BDADMP CON(C)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000850480566 588551136 /nfs/dbraw/zinc/55/11/36/588551136.db2.gz SWAOKFYVVJIELH-UHFFFAOYSA-N 2 1 243.395 1.332 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(OC)OC)C1 ZINC000851798875 588630333 /nfs/dbraw/zinc/63/03/33/588630333.db2.gz JAYPYAGODJEVPS-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(OC)OC)C1 ZINC000851798875 588630334 /nfs/dbraw/zinc/63/03/34/588630334.db2.gz JAYPYAGODJEVPS-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(OC)OC)C1 ZINC000851798875 588630335 /nfs/dbraw/zinc/63/03/35/588630335.db2.gz JAYPYAGODJEVPS-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOC(F)F)CC[C@H]21 ZINC000851812472 588632392 /nfs/dbraw/zinc/63/23/92/588632392.db2.gz GTWORKPCLUSRMU-GHMZBOCLSA-N 2 1 248.317 1.642 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOC(F)F)CC[C@H]21 ZINC000851812472 588632393 /nfs/dbraw/zinc/63/23/93/588632393.db2.gz GTWORKPCLUSRMU-GHMZBOCLSA-N 2 1 248.317 1.642 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOC(F)F)CC[C@H]21 ZINC000851812472 588632394 /nfs/dbraw/zinc/63/23/94/588632394.db2.gz GTWORKPCLUSRMU-GHMZBOCLSA-N 2 1 248.317 1.642 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOC(F)F)CC[C@H]21 ZINC000851812472 588632395 /nfs/dbraw/zinc/63/23/95/588632395.db2.gz GTWORKPCLUSRMU-GHMZBOCLSA-N 2 1 248.317 1.642 20 0 BDADMP CCN(CC)[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000110370694 588659059 /nfs/dbraw/zinc/65/90/59/588659059.db2.gz IILSHCUYLADQJC-CQSZACIVSA-N 2 1 241.423 1.922 20 0 BDADMP CCN(CC)[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000110370694 588659060 /nfs/dbraw/zinc/65/90/60/588659060.db2.gz IILSHCUYLADQJC-CQSZACIVSA-N 2 1 241.423 1.922 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852741584 588698485 /nfs/dbraw/zinc/69/84/85/588698485.db2.gz WDYDVPWJNBUOQD-DTWKUNHWSA-N 2 1 222.279 1.285 20 0 BDADMP FC(F)OCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000852750287 588699032 /nfs/dbraw/zinc/69/90/32/588699032.db2.gz YPRMTIUUGFZXRQ-QWRGUYRKSA-N 2 1 248.317 1.690 20 0 BDADMP FC(F)OCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000852750288 588699035 /nfs/dbraw/zinc/69/90/35/588699035.db2.gz YPRMTIUUGFZXRQ-WDEREUQCSA-N 2 1 248.317 1.690 20 0 BDADMP C[C@@]12COC[C@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000852758927 588700457 /nfs/dbraw/zinc/70/04/57/588700457.db2.gz HKJBMLRHOZTAMP-ZIAGYGMSSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@]12COC[C@@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000852758856 588700697 /nfs/dbraw/zinc/70/06/97/588700697.db2.gz FUOGWAWVKDTPQM-QWHCGFSZSA-N 2 1 226.364 1.474 20 0 BDADMP COC1(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CCCC1 ZINC000863641735 589306300 /nfs/dbraw/zinc/30/63/00/589306300.db2.gz JKBFCTOGGPPOHI-ZDUSSCGKSA-N 2 1 238.375 1.774 20 0 BDADMP COC1(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CCCC1 ZINC000863641735 589306301 /nfs/dbraw/zinc/30/63/01/589306301.db2.gz JKBFCTOGGPPOHI-ZDUSSCGKSA-N 2 1 238.375 1.774 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000863641531 589306586 /nfs/dbraw/zinc/30/65/86/589306586.db2.gz GOEDUJNFXOFZTI-LLVKDONJSA-N 2 1 207.321 1.196 20 0 BDADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@@H]2C)C1 ZINC000864456267 589367112 /nfs/dbraw/zinc/36/71/12/589367112.db2.gz HKLINPXQDOGCFG-QJPTWQEYSA-N 2 1 238.379 1.241 20 0 BDADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000864457598 589368031 /nfs/dbraw/zinc/36/80/31/589368031.db2.gz FJVCDPYYTPJMNF-PWSUYJOCSA-N 2 1 238.379 1.383 20 0 BDADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000864465773 589370874 /nfs/dbraw/zinc/37/08/74/589370874.db2.gz COJBIPKKKKRKJT-UTUOFQBUSA-N 2 1 238.379 1.241 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866208551 589480376 /nfs/dbraw/zinc/48/03/76/589480376.db2.gz NQYLPEIVXVZUOX-OCCSQVGLSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000866219748 589481334 /nfs/dbraw/zinc/48/13/34/589481334.db2.gz XEDNVCFVDDJCDR-LLVKDONJSA-N 2 1 249.362 1.144 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583718 589502007 /nfs/dbraw/zinc/50/20/07/589502007.db2.gz LJNXWAJBIAZWMS-QJPTWQEYSA-N 2 1 212.337 1.047 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583718 589502008 /nfs/dbraw/zinc/50/20/08/589502008.db2.gz LJNXWAJBIAZWMS-QJPTWQEYSA-N 2 1 212.337 1.047 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583718 589502009 /nfs/dbraw/zinc/50/20/09/589502009.db2.gz LJNXWAJBIAZWMS-QJPTWQEYSA-N 2 1 212.337 1.047 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583632 589502133 /nfs/dbraw/zinc/50/21/33/589502133.db2.gz DAKWRRUCETWUCL-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583632 589502136 /nfs/dbraw/zinc/50/21/36/589502136.db2.gz DAKWRRUCETWUCL-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583632 589502137 /nfs/dbraw/zinc/50/21/37/589502137.db2.gz DAKWRRUCETWUCL-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583632 589502138 /nfs/dbraw/zinc/50/21/38/589502138.db2.gz DAKWRRUCETWUCL-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583722 589502192 /nfs/dbraw/zinc/50/21/92/589502192.db2.gz LJNXWAJBIAZWMS-SRVKXCTJSA-N 2 1 212.337 1.047 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583722 589502194 /nfs/dbraw/zinc/50/21/94/589502194.db2.gz LJNXWAJBIAZWMS-SRVKXCTJSA-N 2 1 212.337 1.047 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583722 589502195 /nfs/dbraw/zinc/50/21/95/589502195.db2.gz LJNXWAJBIAZWMS-SRVKXCTJSA-N 2 1 212.337 1.047 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000866661971 589508602 /nfs/dbraw/zinc/50/86/02/589508602.db2.gz MIFWHOWAFVPWPW-UHFFFAOYSA-N 2 1 235.331 1.723 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866703732 589513183 /nfs/dbraw/zinc/51/31/83/589513183.db2.gz LFCVMIWKKPDVMS-AGIUHOORSA-N 2 1 240.416 1.671 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866717597 589514452 /nfs/dbraw/zinc/51/44/52/589514452.db2.gz JSGPOGINVZUTPA-VHSXEESVSA-N 2 1 234.290 1.300 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866717597 589514453 /nfs/dbraw/zinc/51/44/53/589514453.db2.gz JSGPOGINVZUTPA-VHSXEESVSA-N 2 1 234.290 1.300 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1 ZINC000872144230 589883224 /nfs/dbraw/zinc/88/32/24/589883224.db2.gz CWCFTZCUNLNQAY-NJMOYASZSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872145591 589883806 /nfs/dbraw/zinc/88/38/06/589883806.db2.gz UKGWWFHESCZCGS-LPWJVIDDSA-N 2 1 240.391 1.778 20 0 BDADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000872144707 589883846 /nfs/dbraw/zinc/88/38/46/589883846.db2.gz FAKDXLFSXKACLV-SGMGOOAPSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000872144707 589883849 /nfs/dbraw/zinc/88/38/49/589883849.db2.gz FAKDXLFSXKACLV-SGMGOOAPSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872144632 589884001 /nfs/dbraw/zinc/88/40/01/589884001.db2.gz IBNBVIFDDNVNRW-UPJWGTAASA-N 2 1 238.375 1.757 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000872146416 589885122 /nfs/dbraw/zinc/88/51/22/589885122.db2.gz NBZSYFJHDAKKJB-YVECIDJPSA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000872146416 589885123 /nfs/dbraw/zinc/88/51/23/589885123.db2.gz NBZSYFJHDAKKJB-YVECIDJPSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000872156403 589885413 /nfs/dbraw/zinc/88/54/13/589885413.db2.gz JDCWJPYOEFBYME-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP OCC[NH+]1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872388198 589930600 /nfs/dbraw/zinc/93/06/00/589930600.db2.gz ZGOQAMKPZIYGNN-UHFFFAOYSA-N 2 1 247.342 1.073 20 0 BDADMP CC[C@H]1COCC[N@@H+]1CCNc1cc[nH+]cc1C ZINC000872773107 589967904 /nfs/dbraw/zinc/96/79/04/589967904.db2.gz FTUPTMMNHWUXOZ-ZDUSSCGKSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@H]1COCC[N@H+]1CCNc1cc[nH+]cc1C ZINC000872773107 589967905 /nfs/dbraw/zinc/96/79/05/589967905.db2.gz FTUPTMMNHWUXOZ-ZDUSSCGKSA-N 2 1 249.358 1.335 20 0 BDADMP CCCNc1cc(N[C@H](C)[C@@H](C)[NH3+])nc[nH+]1 ZINC000872776444 589968089 /nfs/dbraw/zinc/96/80/89/589968089.db2.gz JSEKFEIKIHPWDN-RKDXNWHRSA-N 2 1 223.324 1.446 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200767 589992638 /nfs/dbraw/zinc/99/26/38/589992638.db2.gz FSOGRUYRIVXFMR-UHFFFAOYSA-N 3 1 239.388 1.174 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200767 589992641 /nfs/dbraw/zinc/99/26/41/589992641.db2.gz FSOGRUYRIVXFMR-UHFFFAOYSA-N 3 1 239.388 1.174 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000873200544 589992997 /nfs/dbraw/zinc/99/29/97/589992997.db2.gz CDEZBLIDLGKVLV-PNESKVBLSA-N 3 1 227.396 1.419 20 0 BDADMP CC[C@](C)(CC(=O)OC)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000873208140 589994028 /nfs/dbraw/zinc/99/40/28/589994028.db2.gz CFFUBNQMGNDVBW-YXMLORGKSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H](O)C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208464 589994186 /nfs/dbraw/zinc/99/41/86/589994186.db2.gz ODVRXDBRQDNZLS-SECBINFHSA-N 2 1 240.372 1.206 20 0 BDADMP CC(C)C[C@H](N)C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220358 589998900 /nfs/dbraw/zinc/99/89/00/589998900.db2.gz LHNUADRYMGTCCQ-AAEUAGOBSA-N 2 1 227.396 1.338 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000873221704 590000063 /nfs/dbraw/zinc/00/00/63/590000063.db2.gz NYDPGRZZRPDFFW-VHSXEESVSA-N 2 1 214.378 1.409 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000873221704 590000065 /nfs/dbraw/zinc/00/00/65/590000065.db2.gz NYDPGRZZRPDFFW-VHSXEESVSA-N 2 1 214.378 1.409 20 0 BDADMP COCCC1([NH2+]Cc2ccccn2)CC[NH2+]CC1 ZINC000873224750 590000386 /nfs/dbraw/zinc/00/03/86/590000386.db2.gz JRPRLSUWOLLGJC-UHFFFAOYSA-N 2 1 249.358 1.330 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000873237564 590003866 /nfs/dbraw/zinc/00/38/66/590003866.db2.gz QYXAOSVTMRVCDE-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCCO1 ZINC000873238300 590005279 /nfs/dbraw/zinc/00/52/79/590005279.db2.gz ZEIRTOFHIBOBQM-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873238233 590005358 /nfs/dbraw/zinc/00/53/58/590005358.db2.gz YLDBGBRVSJFRJR-STQMWFEESA-N 2 1 240.391 1.779 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239225 590005644 /nfs/dbraw/zinc/00/56/44/590005644.db2.gz QBAMPSWTXGGZTJ-ZDCRXTMVSA-N 2 1 200.301 1.737 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccccc21 ZINC000873249863 590007504 /nfs/dbraw/zinc/00/75/04/590007504.db2.gz NEVDETIFTZAXLQ-GIFSMMMISA-N 2 1 231.343 1.458 20 0 BDADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256217 590010607 /nfs/dbraw/zinc/01/06/07/590010607.db2.gz MUXBTGFGENATCX-NMFUWQPSSA-N 2 1 247.386 1.272 20 0 BDADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256216 590011069 /nfs/dbraw/zinc/01/10/69/590011069.db2.gz MUXBTGFGENATCX-NGFQHRJXSA-N 2 1 247.386 1.272 20 0 BDADMP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873280432 590017446 /nfs/dbraw/zinc/01/74/46/590017446.db2.gz AOMGOVBVSCMBQF-PEBLQZBPSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000873281338 590018757 /nfs/dbraw/zinc/01/87/57/590018757.db2.gz HSJAMMAGIZQRIF-UTUOFQBUSA-N 2 1 226.364 1.532 20 0 BDADMP Nc1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000873291082 590023210 /nfs/dbraw/zinc/02/32/10/590023210.db2.gz UCLMVXWUEDWVNA-RYUDHWBXSA-N 2 1 223.295 1.377 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC000873297095 590024624 /nfs/dbraw/zinc/02/46/24/590024624.db2.gz RBZYTERIFSPTSB-ZOWXZIJZSA-N 2 1 247.386 1.416 20 0 BDADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000125647351 590176027 /nfs/dbraw/zinc/17/60/27/590176027.db2.gz KLSXAGPGNMUOAJ-UHFFFAOYSA-N 2 1 216.328 1.927 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000876723170 590233384 /nfs/dbraw/zinc/23/33/84/590233384.db2.gz OPKPKMPFNRUYFU-UTUOFQBUSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000877153039 590293002 /nfs/dbraw/zinc/29/30/02/590293002.db2.gz DUUBBIJMFAVSMV-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000877153039 590293003 /nfs/dbraw/zinc/29/30/03/590293003.db2.gz DUUBBIJMFAVSMV-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739241 590407280 /nfs/dbraw/zinc/40/72/80/590407280.db2.gz FTLHRMAQHDQCQG-FDYHWXHSSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739241 590407281 /nfs/dbraw/zinc/40/72/81/590407281.db2.gz FTLHRMAQHDQCQG-FDYHWXHSSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877739241 590407283 /nfs/dbraw/zinc/40/72/83/590407283.db2.gz FTLHRMAQHDQCQG-FDYHWXHSSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877739241 590407284 /nfs/dbraw/zinc/40/72/84/590407284.db2.gz FTLHRMAQHDQCQG-FDYHWXHSSA-N 2 1 208.349 1.668 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000878645049 590600742 /nfs/dbraw/zinc/60/07/42/590600742.db2.gz GTMRZYAAMJUQSN-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CSC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000127291433 590615361 /nfs/dbraw/zinc/61/53/61/590615361.db2.gz FURIPEWXLZHMOP-WAAKLRNESA-N 2 1 228.405 1.953 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCC3)CC[C@@H]21 ZINC000879572880 590800067 /nfs/dbraw/zinc/80/00/67/590800067.db2.gz KDMKFIIDQYQIMT-STQMWFEESA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCC3)CC[C@@H]21 ZINC000879572880 590800069 /nfs/dbraw/zinc/80/00/69/590800069.db2.gz KDMKFIIDQYQIMT-STQMWFEESA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC000879572880 590800072 /nfs/dbraw/zinc/80/00/72/590800072.db2.gz KDMKFIIDQYQIMT-STQMWFEESA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC000879572880 590800074 /nfs/dbraw/zinc/80/00/74/590800074.db2.gz KDMKFIIDQYQIMT-STQMWFEESA-N 2 1 208.349 1.813 20 0 BDADMP CC(C)OCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569027 590807915 /nfs/dbraw/zinc/80/79/15/590807915.db2.gz HQOPORHRGIOLIL-OLZOCXBDSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569027 590807920 /nfs/dbraw/zinc/80/79/20/590807920.db2.gz HQOPORHRGIOLIL-OLZOCXBDSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569027 590807922 /nfs/dbraw/zinc/80/79/22/590807922.db2.gz HQOPORHRGIOLIL-OLZOCXBDSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569027 590807925 /nfs/dbraw/zinc/80/79/25/590807925.db2.gz HQOPORHRGIOLIL-OLZOCXBDSA-N 2 1 226.364 1.437 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CC=CC3)CC[C@@H]21 ZINC000879578301 590812192 /nfs/dbraw/zinc/81/21/92/590812192.db2.gz CVYYOUQFEYBAKI-KBPBESRZSA-N 2 1 220.360 1.979 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3CC=CC3)CC[C@@H]21 ZINC000879578301 590812196 /nfs/dbraw/zinc/81/21/96/590812196.db2.gz CVYYOUQFEYBAKI-KBPBESRZSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3CC=CC3)CC[C@@H]21 ZINC000879578301 590812202 /nfs/dbraw/zinc/81/22/02/590812202.db2.gz CVYYOUQFEYBAKI-KBPBESRZSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CC=CC3)CC[C@@H]21 ZINC000879578301 590812205 /nfs/dbraw/zinc/81/22/05/590812205.db2.gz CVYYOUQFEYBAKI-KBPBESRZSA-N 2 1 220.360 1.979 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582097 590819797 /nfs/dbraw/zinc/81/97/97/590819797.db2.gz PPTXXAIQEPKVIL-JHJVBQTASA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582097 590819799 /nfs/dbraw/zinc/81/97/99/590819799.db2.gz PPTXXAIQEPKVIL-JHJVBQTASA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582097 590819802 /nfs/dbraw/zinc/81/98/02/590819802.db2.gz PPTXXAIQEPKVIL-JHJVBQTASA-N 2 1 226.364 1.029 20 0 BDADMP COC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583397 590820321 /nfs/dbraw/zinc/82/03/21/590820321.db2.gz YPDDBKMRTFVIBW-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583397 590820326 /nfs/dbraw/zinc/82/03/26/590820326.db2.gz YPDDBKMRTFVIBW-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583397 590820331 /nfs/dbraw/zinc/82/03/31/590820331.db2.gz YPDDBKMRTFVIBW-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583397 590820337 /nfs/dbraw/zinc/82/03/37/590820337.db2.gz YPDDBKMRTFVIBW-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCF)CC[C@@H]21 ZINC000879580232 590822635 /nfs/dbraw/zinc/82/26/35/590822635.db2.gz FVIYITKTWRQQHU-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCF)CC[C@@H]21 ZINC000879580232 590822638 /nfs/dbraw/zinc/82/26/38/590822638.db2.gz FVIYITKTWRQQHU-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCF)CC[C@@H]21 ZINC000879580232 590822639 /nfs/dbraw/zinc/82/26/39/590822639.db2.gz FVIYITKTWRQQHU-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCF)CC[C@@H]21 ZINC000879580232 590822642 /nfs/dbraw/zinc/82/26/42/590822642.db2.gz FVIYITKTWRQQHU-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCc1cccnc1 ZINC000880137719 590939540 /nfs/dbraw/zinc/93/95/40/590939540.db2.gz JLQSJKBUCRFJJY-LSDHHAIUSA-N 2 1 245.370 1.793 20 0 BDADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCc1cccnc1 ZINC000880137719 590939542 /nfs/dbraw/zinc/93/95/42/590939542.db2.gz JLQSJKBUCRFJJY-LSDHHAIUSA-N 2 1 245.370 1.793 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCc1cccnc1 ZINC000880137719 590939545 /nfs/dbraw/zinc/93/95/45/590939545.db2.gz JLQSJKBUCRFJJY-LSDHHAIUSA-N 2 1 245.370 1.793 20 0 BDADMP C[C@H](O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259377 590978621 /nfs/dbraw/zinc/97/86/21/590978621.db2.gz RHWGTANXJFBVNI-OLZOCXBDSA-N 2 1 249.358 1.363 20 0 BDADMP COCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260268 590979705 /nfs/dbraw/zinc/97/97/05/590979705.db2.gz OYIVMSISOBAYBC-LBPRGKRZSA-N 2 1 235.331 1.239 20 0 BDADMP C[C@H](CO)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261850 590979966 /nfs/dbraw/zinc/97/99/66/590979966.db2.gz YVKJRZPLOREXAI-STQMWFEESA-N 2 1 249.358 1.221 20 0 BDADMP FC[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](CF)C2)C1 ZINC000880298865 590992143 /nfs/dbraw/zinc/99/21/43/590992143.db2.gz LNROPGLYCIQGGF-STQMWFEESA-N 2 1 246.345 1.959 20 0 BDADMP CC[N@@H+](CCNc1ncnc(C)c1C)C1CC1 ZINC000881902550 591277235 /nfs/dbraw/zinc/27/72/35/591277235.db2.gz DJNJSRUNJZGQOZ-UHFFFAOYSA-N 2 1 234.347 1.990 20 0 BDADMP Cc1ncnc(NC[C@H]2CC[N@H+](C)C2)c1C ZINC000881916120 591278027 /nfs/dbraw/zinc/27/80/27/591278027.db2.gz VNORVVYKDJRYOQ-LLVKDONJSA-N 2 1 220.320 1.457 20 0 BDADMP CSC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000129482797 591312591 /nfs/dbraw/zinc/31/25/91/591312591.db2.gz HUGYWRXLUACWJK-UHFFFAOYSA-N 2 1 216.394 1.812 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000883364488 591631866 /nfs/dbraw/zinc/63/18/66/591631866.db2.gz HQHMDILETDJCKY-KGLIPLIRSA-N 2 1 238.375 1.772 20 0 BDADMP CCc1ccc(NCc2cncn2C)[nH+]c1 ZINC000883385304 591639821 /nfs/dbraw/zinc/63/98/21/591639821.db2.gz JLTAHLJQIQIZBH-UHFFFAOYSA-N 2 1 216.288 1.990 20 0 BDADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)sn1 ZINC000883424118 591659033 /nfs/dbraw/zinc/65/90/33/591659033.db2.gz GQBXLLNOICHCDT-UHFFFAOYSA-N 2 1 237.372 1.719 20 0 BDADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC[NH3+])cn1 ZINC000883461510 591673755 /nfs/dbraw/zinc/67/37/55/591673755.db2.gz WTETWXCXAXFQOW-QXMXGUDHSA-N 2 1 248.374 1.479 20 0 BDADMP CC[S@](=O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000133511705 591810210 /nfs/dbraw/zinc/81/02/10/591810210.db2.gz FWGZJAAFOXGJLT-MRXNPFEDSA-N 2 1 246.420 1.217 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886330323 592210644 /nfs/dbraw/zinc/21/06/44/592210644.db2.gz QOBBQSULZDHYAD-XQQFMLRXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886330323 592210645 /nfs/dbraw/zinc/21/06/45/592210645.db2.gz QOBBQSULZDHYAD-XQQFMLRXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886330323 592210646 /nfs/dbraw/zinc/21/06/46/592210646.db2.gz QOBBQSULZDHYAD-XQQFMLRXSA-N 2 1 208.349 1.813 20 0 BDADMP Cc1[nH]c(C2CC[NH+](C[C@@H](C)O)CC2)[nH+]c1C ZINC000886660639 592293612 /nfs/dbraw/zinc/29/36/12/592293612.db2.gz BRJLHYBRVGHJJN-SECBINFHSA-N 2 1 237.347 1.587 20 0 BDADMP CCC1([NH+]2CCC2)CC[NH+](CCOC)CC1 ZINC000886707949 592307940 /nfs/dbraw/zinc/30/79/40/592307940.db2.gz XJTOLXXORAUNJW-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](C)OC)CC1 ZINC000886716372 592310190 /nfs/dbraw/zinc/31/01/90/592310190.db2.gz XDTTYDUXSIPKTG-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](C[C@H]1C[C@]12CCOC2)C1CCC([NH3+])CC1 ZINC000886830393 592353567 /nfs/dbraw/zinc/35/35/67/592353567.db2.gz QFBKWXLPOSZXPL-RYSNWHEDSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@]12CCOC2)C1CC1 ZINC000886830877 592354024 /nfs/dbraw/zinc/35/40/24/592354024.db2.gz ZEHLHLBPFOUMHE-XQQFMLRXSA-N 2 1 224.348 1.130 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886838550 592357974 /nfs/dbraw/zinc/35/79/74/592357974.db2.gz ZSYIKGDUPWBJKH-IHRRRGAJSA-N 2 1 238.375 1.616 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000886839878 592359549 /nfs/dbraw/zinc/35/95/49/592359549.db2.gz NUPVOKMCQLWAGR-DGAVXFQQSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000886839878 592359554 /nfs/dbraw/zinc/35/95/54/592359554.db2.gz NUPVOKMCQLWAGR-DGAVXFQQSA-N 2 1 236.359 1.097 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859839 592372265 /nfs/dbraw/zinc/37/22/65/592372265.db2.gz HDGVUBVSASBEGR-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859988 592372467 /nfs/dbraw/zinc/37/24/67/592372467.db2.gz MTKZMKDEVHIIPC-AVGNSLFASA-N 2 1 224.348 1.097 20 0 BDADMP COCCCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872398 592377951 /nfs/dbraw/zinc/37/79/51/592377951.db2.gz RKMADFJPMHIRLU-CQSZACIVSA-N 2 1 240.391 1.879 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872478 592378230 /nfs/dbraw/zinc/37/82/30/592378230.db2.gz SYQZLIMOVJOACB-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000221734909 592445072 /nfs/dbraw/zinc/44/50/72/592445072.db2.gz MMILFXRAWYPNRF-BPLDGKMQSA-N 2 1 248.370 1.792 20 0 BDADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887351034 592485292 /nfs/dbraw/zinc/48/52/92/592485292.db2.gz DIHADIGWCFCTSF-SECBINFHSA-N 2 1 248.321 1.097 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])NCC1CC1)C1CCCC1 ZINC000887353768 592487170 /nfs/dbraw/zinc/48/71/70/592487170.db2.gz BPWBCYGWVQNTGT-UHFFFAOYSA-N 2 1 238.379 1.385 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(F)F ZINC000887359119 592489956 /nfs/dbraw/zinc/48/99/56/592489956.db2.gz GHFKAJFPRLYWFY-VIFPVBQESA-N 2 1 248.321 1.240 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCCCCO)C[C@H]21 ZINC000300417762 592512672 /nfs/dbraw/zinc/51/26/72/592512672.db2.gz NAGTYEZEGSWHHS-BFHYXJOUSA-N 2 1 240.391 1.598 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246018622 987306001 /nfs/dbraw/zinc/30/60/01/987306001.db2.gz FZZPMTQBFCKVPS-NEPJUHHUSA-N 2 1 214.353 1.207 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246066837 987353929 /nfs/dbraw/zinc/35/39/29/987353929.db2.gz SFNYZSZURSEBOA-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246066837 987353935 /nfs/dbraw/zinc/35/39/35/987353935.db2.gz SFNYZSZURSEBOA-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NCCC1=CC[NH2+]CC1 ZINC000925707354 634393771 /nfs/dbraw/zinc/39/37/71/634393771.db2.gz PNMWRYZRECZELU-LBPRGKRZSA-N 2 1 223.364 1.026 20 0 BDADMP C[C@H]1COC[C@H](C)C1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925707301 634394341 /nfs/dbraw/zinc/39/43/41/634394341.db2.gz OZMXXGYNYXGRFR-RYUDHWBXSA-N 2 1 238.375 1.509 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH2+]C1(C)C ZINC000925714209 634420557 /nfs/dbraw/zinc/42/05/57/634420557.db2.gz WZAMRQVSYHMORX-ZDUSSCGKSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925714239 634422669 /nfs/dbraw/zinc/42/26/69/634422669.db2.gz XOXBSGPKSCNMKB-ZIQFBCGOSA-N 2 1 210.321 1.036 20 0 BDADMP CC[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000253075492 634476350 /nfs/dbraw/zinc/47/63/50/634476350.db2.gz QMGOANQNZWKVHO-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000925726365 634518969 /nfs/dbraw/zinc/51/89/69/634518969.db2.gz RWTRWCBTADBTLP-YDQFZURESA-N 2 1 236.359 1.140 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CC[NH2+]CC1 ZINC000925730240 634555024 /nfs/dbraw/zinc/55/50/24/634555024.db2.gz VDQBRIGLPZNCIK-GMXVVIOVSA-N 3 1 225.380 1.105 20 0 BDADMP CC[C@H]([NH2+]CCc1ccns1)[C@@H]1CCC[NH2+]1 ZINC000925731430 634564078 /nfs/dbraw/zinc/56/40/78/634564078.db2.gz KLHTVJKPQHTITQ-RYUDHWBXSA-N 2 1 239.388 1.806 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](C)C1 ZINC000093516019 634559132 /nfs/dbraw/zinc/55/91/32/634559132.db2.gz CZBHCOBYFQXUSM-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C)C1 ZINC000093516019 634559140 /nfs/dbraw/zinc/55/91/40/634559140.db2.gz CZBHCOBYFQXUSM-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000227077297 635446643 /nfs/dbraw/zinc/44/66/43/635446643.db2.gz AJQQHKHJSNMZKC-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)O ZINC000063121329 635469254 /nfs/dbraw/zinc/46/92/54/635469254.db2.gz QFVNMAINBGKNRU-UHFFFAOYSA-N 2 1 214.353 1.031 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000925890530 635616637 /nfs/dbraw/zinc/61/66/37/635616637.db2.gz QBARCONKMDRBHE-RKDXNWHRSA-N 2 1 225.336 1.761 20 0 BDADMP CNc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000234478752 631542837 /nfs/dbraw/zinc/54/28/37/631542837.db2.gz ICGQWEBAVZAGMF-UHFFFAOYSA-N 2 1 221.348 1.770 20 0 BDADMP C[N@@H+](CCOCC1CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000094989954 631583833 /nfs/dbraw/zinc/58/38/33/631583833.db2.gz JQPUJSRUYANXHK-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)(C)[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000308854714 631694985 /nfs/dbraw/zinc/69/49/85/631694985.db2.gz PMEHHDYRSLEMCB-UHFFFAOYSA-N 2 1 228.405 1.954 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCSC[C@H]1C ZINC000934297550 631763057 /nfs/dbraw/zinc/76/30/57/631763057.db2.gz HRJWCXBBSVNOKE-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCSC[C@H]1C ZINC000934297550 631763060 /nfs/dbraw/zinc/76/30/60/631763060.db2.gz HRJWCXBBSVNOKE-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCSC[C@H]1C ZINC000934297550 631763063 /nfs/dbraw/zinc/76/30/63/631763063.db2.gz HRJWCXBBSVNOKE-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@@H]1C[C@H](NCCC(C)(C)[NH3+])CC[N@H+]1C ZINC000308969607 631774487 /nfs/dbraw/zinc/77/44/87/631774487.db2.gz ONGUOWSKSYNQKV-GHMZBOCLSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000308969607 631774491 /nfs/dbraw/zinc/77/44/91/631774491.db2.gz ONGUOWSKSYNQKV-GHMZBOCLSA-N 3 1 213.369 1.186 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CC[N@H+]1C ZINC000308969607 631774495 /nfs/dbraw/zinc/77/44/95/631774495.db2.gz ONGUOWSKSYNQKV-GHMZBOCLSA-N 3 1 213.369 1.186 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C ZINC000309046500 631823974 /nfs/dbraw/zinc/82/39/74/631823974.db2.gz OZHSLILVBNRUOB-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C ZINC000309046500 631823980 /nfs/dbraw/zinc/82/39/80/631823980.db2.gz OZHSLILVBNRUOB-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2ccccc2C1 ZINC000111273146 631861743 /nfs/dbraw/zinc/86/17/43/631861743.db2.gz PZJKABHXLLMNJO-DOMZBBRYSA-N 2 1 230.355 1.900 20 0 BDADMP CC[C@H](CO)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000049752936 631914262 /nfs/dbraw/zinc/91/42/62/631914262.db2.gz XEKCHCHNOYPXCX-VXGBXAGGSA-N 2 1 214.353 1.221 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000075072493 632031095 /nfs/dbraw/zinc/03/10/95/632031095.db2.gz WKKUCAIRMOFXNO-LBPRGKRZSA-N 2 1 234.343 1.866 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC1CC1 ZINC000052041120 632051024 /nfs/dbraw/zinc/05/10/24/632051024.db2.gz JHJYMNBSTKCKJK-NSHDSACASA-N 2 1 238.379 1.527 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@H]1[NH3+] ZINC000251873725 635707133 /nfs/dbraw/zinc/70/71/33/635707133.db2.gz UFJSFHSBECHLDI-MRVWCRGKSA-N 2 1 234.343 1.389 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000924964853 635813466 /nfs/dbraw/zinc/81/34/66/635813466.db2.gz RECBFHHNDKZQMA-WORDMNGFSA-N 2 1 249.402 1.153 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[NH+](C2CC2)C1 ZINC000924964853 635813471 /nfs/dbraw/zinc/81/34/71/635813471.db2.gz RECBFHHNDKZQMA-WORDMNGFSA-N 2 1 249.402 1.153 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[NH+](C2CC2)C1 ZINC000924964853 635813475 /nfs/dbraw/zinc/81/34/75/635813475.db2.gz RECBFHHNDKZQMA-WORDMNGFSA-N 2 1 249.402 1.153 20 0 BDADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924964853 635813481 /nfs/dbraw/zinc/81/34/81/635813481.db2.gz RECBFHHNDKZQMA-WORDMNGFSA-N 2 1 249.402 1.153 20 0 BDADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924964853 635813486 /nfs/dbraw/zinc/81/34/86/635813486.db2.gz RECBFHHNDKZQMA-WORDMNGFSA-N 2 1 249.402 1.153 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)C[C@]1(C)CC[NH2+]C1 ZINC000252578381 632553364 /nfs/dbraw/zinc/55/33/64/632553364.db2.gz LCDOCJHWARELDQ-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC2(CCC2)C1 ZINC000309983541 632689791 /nfs/dbraw/zinc/68/97/91/632689791.db2.gz PSJMEIGXRYHQFJ-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000103522489 633064911 /nfs/dbraw/zinc/06/49/11/633064911.db2.gz QGQWCUYDXACTDI-BJHJDKERSA-N 2 1 226.364 1.364 20 0 BDADMP CCCC[N@@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309451005 633084031 /nfs/dbraw/zinc/08/40/31/633084031.db2.gz MNPNOTDELAQEIQ-NEPJUHHUSA-N 2 1 214.353 1.208 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309474586 633132860 /nfs/dbraw/zinc/13/28/60/633132860.db2.gz UTXVRHRFUNRWBU-QWHCGFSZSA-N 2 1 226.364 1.200 20 0 BDADMP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925503434 633829193 /nfs/dbraw/zinc/82/91/93/633829193.db2.gz JRFQLXMBOCGKFW-NWDGAFQWSA-N 2 1 240.391 1.658 20 0 BDADMP COC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000053172159 633876486 /nfs/dbraw/zinc/87/64/86/633876486.db2.gz DNBYOIAVILFMKG-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000309547215 633950994 /nfs/dbraw/zinc/95/09/94/633950994.db2.gz HDLMSKIEDKZQHF-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309982909 634025588 /nfs/dbraw/zinc/02/55/88/634025588.db2.gz DLYHBDMPNPNMSB-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309982909 634025589 /nfs/dbraw/zinc/02/55/89/634025589.db2.gz DLYHBDMPNPNMSB-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CCCC1 ZINC000309982839 634026230 /nfs/dbraw/zinc/02/62/30/634026230.db2.gz AEUNPZKNQITXHY-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CCSC1 ZINC000925574962 634072534 /nfs/dbraw/zinc/07/25/34/634072534.db2.gz XDECCWMMYGGYRS-WDEREUQCSA-N 2 1 226.389 1.756 20 0 BDADMP C[C@@](O)(C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925610122 634146330 /nfs/dbraw/zinc/14/63/30/634146330.db2.gz YXCTZQQYBSDNLT-NWDGAFQWSA-N 2 1 224.348 1.022 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925682026 634285048 /nfs/dbraw/zinc/28/50/48/634285048.db2.gz RZUIYDZOGRAMET-RYUDHWBXSA-N 2 1 240.391 1.800 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC000931278173 634304054 /nfs/dbraw/zinc/30/40/54/634304054.db2.gz ZHXVSIIMNHWUAY-GDNZZTSVSA-N 2 1 214.328 1.618 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC000931278173 634304060 /nfs/dbraw/zinc/30/40/60/634304060.db2.gz ZHXVSIIMNHWUAY-GDNZZTSVSA-N 2 1 214.328 1.618 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689824 634309196 /nfs/dbraw/zinc/30/91/96/634309196.db2.gz IRYXEAGHNHUVOD-NEPJUHHUSA-N 3 1 227.396 1.482 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925695722 634347864 /nfs/dbraw/zinc/34/78/64/634347864.db2.gz WFJFKOVHDYMBSL-JHJVBQTASA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ncc[nH]1 ZINC000925701351 634375048 /nfs/dbraw/zinc/37/50/48/634375048.db2.gz XZNRWJFBYXIGJA-JTQLQIEISA-N 2 1 242.326 1.864 20 0 BDADMP Cc1noc(C)c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010964 635159970 /nfs/dbraw/zinc/15/99/70/635159970.db2.gz WJUPNILJAJAVAU-UHFFFAOYSA-N 2 1 237.347 1.723 20 0 BDADMP Cc1ccc(CC[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258755224 635195311 /nfs/dbraw/zinc/19/53/11/635195311.db2.gz MOHMUTKNPWRIKT-LBPRGKRZSA-N 2 1 206.333 1.817 20 0 BDADMP Cc1ccc(CC[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258755224 635195319 /nfs/dbraw/zinc/19/53/19/635195319.db2.gz MOHMUTKNPWRIKT-LBPRGKRZSA-N 2 1 206.333 1.817 20 0 BDADMP Cn1nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1C1CC1 ZINC000925873381 635591481 /nfs/dbraw/zinc/59/14/81/635591481.db2.gz JEEUELUXXNZHSL-VXGBXAGGSA-N 2 1 248.374 1.657 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000310369584 635737590 /nfs/dbraw/zinc/73/75/90/635737590.db2.gz NGJSZPRCFJYIMS-KGLIPLIRSA-N 2 1 234.343 1.391 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCS1 ZINC000925258484 636543873 /nfs/dbraw/zinc/54/38/73/636543873.db2.gz PAEKVTZRPKBZHM-DAAZQVBGSA-N 2 1 240.416 1.812 20 0 BDADMP CCO[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CC1 ZINC000863548093 636719235 /nfs/dbraw/zinc/71/92/35/636719235.db2.gz USKBZTVAYOGFSN-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CC1 ZINC000863548093 636719244 /nfs/dbraw/zinc/71/92/44/636719244.db2.gz USKBZTVAYOGFSN-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(CCO)C2)[C@@H](C)C1 ZINC000898010407 636851402 /nfs/dbraw/zinc/85/14/02/636851402.db2.gz GDESALSWIMXMDM-ABXWRUBCSA-N 2 1 240.391 1.467 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)[C@@H](C)CC)C[NH+](C)C ZINC000926962462 636972724 /nfs/dbraw/zinc/97/27/24/636972724.db2.gz MLIINZPZHMMNQI-YNEHKIRRSA-N 2 1 230.396 1.977 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926966533 636976749 /nfs/dbraw/zinc/97/67/49/636976749.db2.gz XJGDBBDRAWLECC-NWDGAFQWSA-N 2 1 216.369 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)C)C[NH+](C)C ZINC000926964196 636975065 /nfs/dbraw/zinc/97/50/65/636975065.db2.gz WQLXETHQALMKBY-HZSPNIEDSA-N 2 1 242.407 1.977 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+](C)C ZINC000926965028 636976699 /nfs/dbraw/zinc/97/66/99/636976699.db2.gz ZKLMISJKXXKWAQ-IGQOVBAYSA-N 2 1 240.391 1.731 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](CC)C1CC1)C[NH+](C)C ZINC000926965105 636978783 /nfs/dbraw/zinc/97/87/83/636978783.db2.gz PAFYMWASBGZOTG-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924706589 637015038 /nfs/dbraw/zinc/01/50/38/637015038.db2.gz QEDGGYVBSQOTEG-NWDGAFQWSA-N 2 1 228.380 1.325 20 0 BDADMP CCCSC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000903093152 637343475 /nfs/dbraw/zinc/34/34/75/637343475.db2.gz PJMSEVJTYVJIJB-QWRGUYRKSA-N 2 1 234.409 1.030 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903437949 637362388 /nfs/dbraw/zinc/36/23/88/637362388.db2.gz OSLGIUOSJCVSPJ-RDBSUJKOSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@]12COC[C@@H]1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463757 637364430 /nfs/dbraw/zinc/36/44/30/637364430.db2.gz LQYVGQDLGQRNSU-MROQNXINSA-N 2 1 224.348 1.082 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721936 637379896 /nfs/dbraw/zinc/37/98/96/637379896.db2.gz GGZAGHDORCOKFQ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903865506 637385795 /nfs/dbraw/zinc/38/57/95/637385795.db2.gz ZLFWPIPOPPLENV-MELADBBJSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903865506 637385800 /nfs/dbraw/zinc/38/58/00/637385800.db2.gz ZLFWPIPOPPLENV-MELADBBJSA-N 2 1 240.391 1.597 20 0 BDADMP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000903867315 637386655 /nfs/dbraw/zinc/38/66/55/637386655.db2.gz PDAIBUKFUDFEHY-KGLIPLIRSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000903867315 637386661 /nfs/dbraw/zinc/38/66/61/637386661.db2.gz PDAIBUKFUDFEHY-KGLIPLIRSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000903865709 637386776 /nfs/dbraw/zinc/38/67/76/637386776.db2.gz FGFJNOTVPKFBFU-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000903865709 637386783 /nfs/dbraw/zinc/38/67/83/637386783.db2.gz FGFJNOTVPKFBFU-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP CC(C)(C[NH3+])C1CCN(CC2(C[NH3+])CC2)CC1 ZINC000904442558 637411579 /nfs/dbraw/zinc/41/15/79/637411579.db2.gz DBKRQMPFXSAZSK-UHFFFAOYSA-N 2 1 239.407 1.422 20 0 BDADMP CCOc1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904451150 637417493 /nfs/dbraw/zinc/41/74/93/637417493.db2.gz WOHZHHPEQSWJGI-UHFFFAOYSA-N 2 1 220.316 1.666 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000904451600 637417734 /nfs/dbraw/zinc/41/77/34/637417734.db2.gz WYUONOHRLFSXGV-UHFFFAOYSA-N 2 1 227.311 1.816 20 0 BDADMP C[C@]1([NH3+])CCCC[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905324747 637753040 /nfs/dbraw/zinc/75/30/40/637753040.db2.gz QAKKFKTUDVURLJ-KCJUWKMLSA-N 2 1 236.319 1.392 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 ZINC000906507984 638179767 /nfs/dbraw/zinc/17/97/67/638179767.db2.gz FTWCRTZAUAJOTF-ZKCHVHJHSA-N 2 1 211.334 1.285 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cccc3c2OCCO3)C1 ZINC000906511216 638184129 /nfs/dbraw/zinc/18/41/29/638184129.db2.gz YZXGFKKZPMBTEM-UHFFFAOYSA-N 2 1 234.299 1.037 20 0 BDADMP CCCC[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000906528002 638192954 /nfs/dbraw/zinc/19/29/54/638192954.db2.gz QZQUTYCQUSUYJL-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP CO[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230309521 638591052 /nfs/dbraw/zinc/59/10/52/638591052.db2.gz SLPQZGWINJSYIL-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](C[NH3+])C2)O1 ZINC000149750115 639110551 /nfs/dbraw/zinc/11/05/51/639110551.db2.gz UUZLDKVZQWIUJM-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP COCC(COC)[N@H+](C)CCC[NH+]1CCCC1 ZINC000930310569 639695496 /nfs/dbraw/zinc/69/54/96/639695496.db2.gz IZGRXFKIDRAHQS-UHFFFAOYSA-N 2 1 244.379 1.066 20 0 BDADMP COCC(COC)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000930310569 639695499 /nfs/dbraw/zinc/69/54/99/639695499.db2.gz IZGRXFKIDRAHQS-UHFFFAOYSA-N 2 1 244.379 1.066 20 0 BDADMP C[NH+](C)C1(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000911648085 639702336 /nfs/dbraw/zinc/70/23/36/639702336.db2.gz HAJQLVGPUDJQRW-UHFFFAOYSA-N 2 1 233.315 1.178 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930602204 639817153 /nfs/dbraw/zinc/81/71/53/639817153.db2.gz MVYRQVIXEPDQKM-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](CO)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930602204 639817154 /nfs/dbraw/zinc/81/71/54/639817154.db2.gz MVYRQVIXEPDQKM-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](CO)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930602204 639817155 /nfs/dbraw/zinc/81/71/55/639817155.db2.gz MVYRQVIXEPDQKM-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](CO)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930602201 639817588 /nfs/dbraw/zinc/81/75/88/639817588.db2.gz MVYRQVIXEPDQKM-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](CO)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930602201 639817589 /nfs/dbraw/zinc/81/75/89/639817589.db2.gz MVYRQVIXEPDQKM-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](CO)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930602201 639817590 /nfs/dbraw/zinc/81/75/90/639817590.db2.gz MVYRQVIXEPDQKM-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931277345 640129250 /nfs/dbraw/zinc/12/92/50/640129250.db2.gz JPDJUKBOERBJOS-POQQGIQPSA-N 2 1 238.375 1.293 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931277345 640129259 /nfs/dbraw/zinc/12/92/59/640129259.db2.gz JPDJUKBOERBJOS-POQQGIQPSA-N 2 1 238.375 1.293 20 0 BDADMP CCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931290306 640136239 /nfs/dbraw/zinc/13/62/39/640136239.db2.gz KVQJHMRZHXSRKV-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP CCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931290306 640136247 /nfs/dbraw/zinc/13/62/47/640136247.db2.gz KVQJHMRZHXSRKV-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000931305805 640143878 /nfs/dbraw/zinc/14/38/78/640143878.db2.gz DNKGIWCGHCJSLN-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000931305805 640143883 /nfs/dbraw/zinc/14/38/83/640143883.db2.gz DNKGIWCGHCJSLN-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000931305805 640143885 /nfs/dbraw/zinc/14/38/85/640143885.db2.gz DNKGIWCGHCJSLN-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000931305805 640143890 /nfs/dbraw/zinc/14/38/90/640143890.db2.gz DNKGIWCGHCJSLN-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC000931440664 640206499 /nfs/dbraw/zinc/20/64/99/640206499.db2.gz WGTZHMJZTYNIFE-FRRDWIJNSA-N 2 1 249.358 1.928 20 0 BDADMP Cc1cnc([C@@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC000931440664 640206501 /nfs/dbraw/zinc/20/65/01/640206501.db2.gz WGTZHMJZTYNIFE-FRRDWIJNSA-N 2 1 249.358 1.928 20 0 BDADMP Cc1cnc([C@@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)o1 ZINC000931440664 640206505 /nfs/dbraw/zinc/20/65/05/640206505.db2.gz WGTZHMJZTYNIFE-FRRDWIJNSA-N 2 1 249.358 1.928 20 0 BDADMP Cc1cnc([C@@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)o1 ZINC000931440664 640206506 /nfs/dbraw/zinc/20/65/06/640206506.db2.gz WGTZHMJZTYNIFE-FRRDWIJNSA-N 2 1 249.358 1.928 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCc3[nH+]ccc(N)c3C2)CCO1 ZINC000931516497 640246962 /nfs/dbraw/zinc/24/69/62/640246962.db2.gz VNFHRFJFODTDMY-GHMZBOCLSA-N 2 1 247.342 1.589 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCc3[nH+]ccc(N)c3C2)CCO1 ZINC000931516497 640246971 /nfs/dbraw/zinc/24/69/71/640246971.db2.gz VNFHRFJFODTDMY-GHMZBOCLSA-N 2 1 247.342 1.589 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2CC[NH+]1CCCC1 ZINC000931622064 640294412 /nfs/dbraw/zinc/29/44/12/640294412.db2.gz ODOPUORFFQVQME-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718881 640333583 /nfs/dbraw/zinc/33/35/83/640333583.db2.gz GRBOLIUATJNENI-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931718881 640333586 /nfs/dbraw/zinc/33/35/86/640333586.db2.gz GRBOLIUATJNENI-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718881 640333593 /nfs/dbraw/zinc/33/35/93/640333593.db2.gz GRBOLIUATJNENI-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP CCCCOCCN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931726461 640341363 /nfs/dbraw/zinc/34/13/63/640341363.db2.gz MLAFIUJBBPADGZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCCCOCC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931726461 640341371 /nfs/dbraw/zinc/34/13/71/640341371.db2.gz MLAFIUJBBPADGZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCCCOCC[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931726461 640341379 /nfs/dbraw/zinc/34/13/79/640341379.db2.gz MLAFIUJBBPADGZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000932348974 640489891 /nfs/dbraw/zinc/48/98/91/640489891.db2.gz CWLZMKAEWZITGZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224882256 640644596 /nfs/dbraw/zinc/64/45/96/640644596.db2.gz IAMRDIPSTPLJLD-BPLDGKMQSA-N 2 1 248.370 1.779 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000226314105 640746181 /nfs/dbraw/zinc/74/61/81/640746181.db2.gz CMHMUPBKLNAGEE-LSDHHAIUSA-N 2 1 248.370 1.923 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)O1 ZINC000933731848 640754242 /nfs/dbraw/zinc/75/42/42/640754242.db2.gz ILOLHMPFQCTRCF-XDQVBPFNSA-N 2 1 238.375 1.437 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741582 640759137 /nfs/dbraw/zinc/75/91/37/640759137.db2.gz XPURAHYTPVSUHQ-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CCOCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933741582 640759142 /nfs/dbraw/zinc/75/91/42/640759142.db2.gz XPURAHYTPVSUHQ-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CCOCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933741582 640759147 /nfs/dbraw/zinc/75/91/47/640759147.db2.gz XPURAHYTPVSUHQ-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734491 640760590 /nfs/dbraw/zinc/76/05/90/640760590.db2.gz UGGXATAVBLLIHV-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734491 640760598 /nfs/dbraw/zinc/76/05/98/640760598.db2.gz UGGXATAVBLLIHV-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000933734491 640760604 /nfs/dbraw/zinc/76/06/04/640760604.db2.gz UGGXATAVBLLIHV-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000933734491 640760609 /nfs/dbraw/zinc/76/06/09/640760609.db2.gz UGGXATAVBLLIHV-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767937 640848382 /nfs/dbraw/zinc/84/83/82/640848382.db2.gz RQFPVWYABRARRT-STQMWFEESA-N 2 1 228.380 1.720 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)CCOCC1CC1 ZINC000087399328 640885604 /nfs/dbraw/zinc/88/56/04/640885604.db2.gz KKGNDLGCAYVCLE-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CCOCC1CC1 ZINC000087399328 640885606 /nfs/dbraw/zinc/88/56/06/640885606.db2.gz KKGNDLGCAYVCLE-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256123 640939536 /nfs/dbraw/zinc/93/95/36/640939536.db2.gz XEADQZCNKMFPGT-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)co1 ZINC000062103623 641021584 /nfs/dbraw/zinc/02/15/84/641021584.db2.gz GPMAMPODDMSPPQ-LLVKDONJSA-N 2 1 220.316 1.854 20 0 BDADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)co1 ZINC000062103623 641021588 /nfs/dbraw/zinc/02/15/88/641021588.db2.gz GPMAMPODDMSPPQ-LLVKDONJSA-N 2 1 220.316 1.854 20 0 BDADMP Cn1ccnc1C[N@H+](C)CCCCCC[NH3+] ZINC000062321945 641037097 /nfs/dbraw/zinc/03/70/97/641037097.db2.gz MSQRUSOPNBQDTC-UHFFFAOYSA-N 2 1 224.352 1.371 20 0 BDADMP Cn1ccnc1C[N@@H+](C)CCCCCC[NH3+] ZINC000062321945 641037099 /nfs/dbraw/zinc/03/70/99/641037099.db2.gz MSQRUSOPNBQDTC-UHFFFAOYSA-N 2 1 224.352 1.371 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000230316155 641047101 /nfs/dbraw/zinc/04/71/01/641047101.db2.gz JHGVASOVXLBRGU-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP CO[C@H]1CC[C@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000934113846 641077901 /nfs/dbraw/zinc/07/79/01/641077901.db2.gz CVBMAXTYYUTNND-OLZOCXBDSA-N 2 1 237.347 1.691 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000934113846 641077904 /nfs/dbraw/zinc/07/79/04/641077904.db2.gz CVBMAXTYYUTNND-OLZOCXBDSA-N 2 1 237.347 1.691 20 0 BDADMP C[N@@H+](CCNCC[NH2+]C(C)(C)C)C1CCCC1 ZINC000230974149 641121918 /nfs/dbraw/zinc/12/19/18/641121918.db2.gz ZHYCLBREIPRYOX-UHFFFAOYSA-N 2 1 241.423 1.839 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000934338504 641128511 /nfs/dbraw/zinc/12/85/11/641128511.db2.gz WAEWQDKPUOFBHZ-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000934338504 641128516 /nfs/dbraw/zinc/12/85/16/641128516.db2.gz WAEWQDKPUOFBHZ-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934338504 641128521 /nfs/dbraw/zinc/12/85/21/641128521.db2.gz WAEWQDKPUOFBHZ-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934338504 641128525 /nfs/dbraw/zinc/12/85/25/641128525.db2.gz WAEWQDKPUOFBHZ-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000231462596 641175373 /nfs/dbraw/zinc/17/53/73/641175373.db2.gz AWCQPKDMEBZTKX-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000231462596 641175376 /nfs/dbraw/zinc/17/53/76/641175376.db2.gz AWCQPKDMEBZTKX-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1[NH3+] ZINC000723460824 711500275 /nfs/dbraw/zinc/50/02/75/711500275.db2.gz MDUQZTCGGCOSDG-UJPOAAIJSA-N 2 1 208.349 1.702 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCCO1 ZINC000042466506 641550936 /nfs/dbraw/zinc/55/09/36/641550936.db2.gz FJVNHZBHCULGAD-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP COCC[N@@H+](C)CCCCCCC[NH3+] ZINC000042460305 641552032 /nfs/dbraw/zinc/55/20/32/641552032.db2.gz IZISZSOEEUGJJC-UHFFFAOYSA-N 2 1 202.342 1.474 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCOC ZINC000042407911 641552450 /nfs/dbraw/zinc/55/24/50/641552450.db2.gz XIHALWJTDVKPAC-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCOC ZINC000042407911 641552454 /nfs/dbraw/zinc/55/24/54/641552454.db2.gz XIHALWJTDVKPAC-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000157745028 641623026 /nfs/dbraw/zinc/62/30/26/641623026.db2.gz ZODRGUIMAKIMTH-GARJFASQSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000157745028 641623028 /nfs/dbraw/zinc/62/30/28/641623028.db2.gz ZODRGUIMAKIMTH-GARJFASQSA-N 2 1 214.353 1.218 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000253361937 642638607 /nfs/dbraw/zinc/63/86/07/642638607.db2.gz FGXJMZWAERCDLY-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccn(C)n1 ZINC000653760389 642816156 /nfs/dbraw/zinc/81/61/56/642816156.db2.gz WROMSDYYHXJYEM-NSHDSACASA-N 2 1 247.346 1.437 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000070171024 642985131 /nfs/dbraw/zinc/98/51/31/642985131.db2.gz NLBAUEVFCDLLLX-UKRRQHHQSA-N 2 1 248.370 1.781 20 0 BDADMP C[N@@H+](CC1CCOCC1)CC(C)(C)C[NH3+] ZINC000082545382 643340540 /nfs/dbraw/zinc/34/05/40/643340540.db2.gz PWRSIASNXQFEAV-UHFFFAOYSA-N 2 1 214.353 1.330 20 0 BDADMP CC(C)CO[C@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C ZINC000082923082 643387490 /nfs/dbraw/zinc/38/74/90/643387490.db2.gz MVOWZINHGMSRFG-MNOVXSKESA-N 2 1 214.353 1.374 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921546967 643600105 /nfs/dbraw/zinc/60/01/05/643600105.db2.gz JWTLLRLTFMXEOL-LBPRGKRZSA-N 2 1 235.331 1.219 20 0 BDADMP CC[NH+](CC)CCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000772140375 643645516 /nfs/dbraw/zinc/64/55/16/643645516.db2.gz ABLHSHVIPCEGFI-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CC)CCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000772140375 643645519 /nfs/dbraw/zinc/64/55/19/643645519.db2.gz ABLHSHVIPCEGFI-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000050247755 643660694 /nfs/dbraw/zinc/66/06/94/643660694.db2.gz IYZKSMLAHKQIOK-LBPRGKRZSA-N 2 1 247.342 1.296 20 0 BDADMP CCO[C@H](C[NH2+]CC(C)(C)COC)C[NH+](C)C ZINC000922754027 644085402 /nfs/dbraw/zinc/08/54/02/644085402.db2.gz LMMBIADAVSQKOA-GFCCVEGCSA-N 2 1 246.395 1.215 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000923286337 644321243 /nfs/dbraw/zinc/32/12/43/644321243.db2.gz ICLGEBCMEJRBIG-HNNXBMFYSA-N 2 1 248.370 1.712 20 0 BDADMP CCc1ncc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000923289828 644322323 /nfs/dbraw/zinc/32/23/23/644322323.db2.gz SRHRTXPJZMVPRU-WDEREUQCSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1ncc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000923289828 644322326 /nfs/dbraw/zinc/32/23/26/644322326.db2.gz SRHRTXPJZMVPRU-WDEREUQCSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923290007 644323298 /nfs/dbraw/zinc/32/32/98/644323298.db2.gz LCVFDDUYLVCGLA-LLVKDONJSA-N 2 1 237.347 1.587 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923290007 644323300 /nfs/dbraw/zinc/32/33/00/644323300.db2.gz LCVFDDUYLVCGLA-LLVKDONJSA-N 2 1 237.347 1.587 20 0 BDADMP CC[NH2+]CC1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923294358 644333339 /nfs/dbraw/zinc/33/33/39/644333339.db2.gz HVLORSXENFGDMI-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313638 644341685 /nfs/dbraw/zinc/34/16/85/644341685.db2.gz IICPBVICFQOVOI-WOPDTQHZSA-N 2 1 224.348 1.095 20 0 BDADMP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000923317568 644345101 /nfs/dbraw/zinc/34/51/01/644345101.db2.gz FIQRQQHFHIREFT-TZMCWYRMSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000923317568 644345106 /nfs/dbraw/zinc/34/51/06/644345106.db2.gz FIQRQQHFHIREFT-TZMCWYRMSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923331101 644349256 /nfs/dbraw/zinc/34/92/56/644349256.db2.gz BSBRVEAJQBGENE-CYBMUJFWSA-N 2 1 238.375 1.616 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923331101 644349261 /nfs/dbraw/zinc/34/92/61/644349261.db2.gz BSBRVEAJQBGENE-CYBMUJFWSA-N 2 1 238.375 1.616 20 0 BDADMP Cc1ccc([C@@H](O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000923330961 644349382 /nfs/dbraw/zinc/34/93/82/644349382.db2.gz DUXOOBURHJNTHF-ZDUSSCGKSA-N 2 1 234.343 1.499 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333870 644354933 /nfs/dbraw/zinc/35/49/33/644354933.db2.gz YQHMKLAKCGUHDY-UPJWGTAASA-N 2 1 228.380 1.453 20 0 BDADMP CCc1ncc(C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000923348432 644361142 /nfs/dbraw/zinc/36/11/42/644361142.db2.gz GYKDGBPRSALHHW-LLVKDONJSA-N 2 1 237.347 1.798 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923357944 644366580 /nfs/dbraw/zinc/36/65/80/644366580.db2.gz BMACFMBLMPQTSR-MELADBBJSA-N 2 1 240.391 1.467 20 0 BDADMP CCCCOC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923368592 644381538 /nfs/dbraw/zinc/38/15/38/644381538.db2.gz RVUNRQYTPXRPDI-RYUDHWBXSA-N 2 1 246.395 1.127 20 0 BDADMP CC[C@H](O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383508 644396288 /nfs/dbraw/zinc/39/62/88/644396288.db2.gz IXMVXWFFETWTMW-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392234 644399118 /nfs/dbraw/zinc/39/91/18/644399118.db2.gz IZNJGONEFMZTBT-MWLCHTKSSA-N 2 1 237.347 1.857 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392234 644399113 /nfs/dbraw/zinc/39/91/13/644399113.db2.gz IZNJGONEFMZTBT-MWLCHTKSSA-N 2 1 237.347 1.857 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923414402 644416654 /nfs/dbraw/zinc/41/66/54/644416654.db2.gz VANJMPDHTQEENJ-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000923414402 644416658 /nfs/dbraw/zinc/41/66/58/644416658.db2.gz VANJMPDHTQEENJ-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923423208 644419639 /nfs/dbraw/zinc/41/96/39/644419639.db2.gz WBHRPDSBGLVKRQ-NWDGAFQWSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455560 644434687 /nfs/dbraw/zinc/43/46/87/644434687.db2.gz XTARFWQPDZRXNI-YVECIDJPSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455560 644434688 /nfs/dbraw/zinc/43/46/88/644434688.db2.gz XTARFWQPDZRXNI-YVECIDJPSA-N 2 1 224.348 1.095 20 0 BDADMP CCC(F)(F)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488380 644465075 /nfs/dbraw/zinc/46/50/75/644465075.db2.gz DWFZAWSMWHOTQE-UWVGGRQHSA-N 2 1 220.307 1.948 20 0 BDADMP CCC(F)(F)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488380 644465078 /nfs/dbraw/zinc/46/50/78/644465078.db2.gz DWFZAWSMWHOTQE-UWVGGRQHSA-N 2 1 220.307 1.948 20 0 BDADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)no1 ZINC000085869844 644452510 /nfs/dbraw/zinc/45/25/10/644452510.db2.gz SLKRLXQZXIIKKD-UHFFFAOYSA-N 2 1 223.320 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C/C=C\Cl)CC[C@@H]1C[NH3+] ZINC000923495425 644461414 /nfs/dbraw/zinc/46/14/14/644461414.db2.gz VKROSHKGTMTVDJ-AXBRGNRRSA-N 2 1 202.729 1.656 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1C[NH3+] ZINC000923495881 644462377 /nfs/dbraw/zinc/46/23/77/644462377.db2.gz DVCZSFMOBIZZGM-CMPLNLGQSA-N 2 1 249.358 1.969 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923491944 644468197 /nfs/dbraw/zinc/46/81/97/644468197.db2.gz VIAKSFPDYTWUKP-QCXCNERSSA-N 2 1 226.364 1.328 20 0 BDADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923492924 644468763 /nfs/dbraw/zinc/46/87/63/644468763.db2.gz ZMHBXMOQILXSKJ-VHSXEESVSA-N 2 1 239.319 1.100 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1C[NH3+] ZINC000923494444 644469445 /nfs/dbraw/zinc/46/94/45/644469445.db2.gz XPQYNQIEAVUEIB-MQYQWHSLSA-N 2 1 238.375 1.330 20 0 BDADMP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC000923493485 644469770 /nfs/dbraw/zinc/46/97/70/644469770.db2.gz HEXPXLGRNDXCPR-QXEWZRGKSA-N 2 1 237.351 1.091 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@H]1C[NH3+] ZINC000923494524 644469968 /nfs/dbraw/zinc/46/99/68/644469968.db2.gz YLXVZBFQQZDRSK-NEPJUHHUSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1C[NH3+] ZINC000923494448 644470331 /nfs/dbraw/zinc/47/03/31/644470331.db2.gz XPQYNQIEAVUEIB-YIYPIFLZSA-N 2 1 238.375 1.330 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502573 644471044 /nfs/dbraw/zinc/47/10/44/644471044.db2.gz CASQSXVWFDLHNS-SKDRFNHKSA-N 2 1 237.347 1.708 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499705 644472613 /nfs/dbraw/zinc/47/26/13/644472613.db2.gz LLGJXFRMBOFOHX-MGPQQGTHSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499702 644472939 /nfs/dbraw/zinc/47/29/39/644472939.db2.gz LLGJXFRMBOFOHX-HZSPNIEDSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(N)c2)CC[C@H]1C[NH3+] ZINC000923501323 644476395 /nfs/dbraw/zinc/47/63/95/644476395.db2.gz QLIGTBIVCBLFOH-AAEUAGOBSA-N 2 1 233.359 1.686 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCCC1 ZINC000923511799 644477568 /nfs/dbraw/zinc/47/75/68/644477568.db2.gz VIFLYQZAGTXBHU-RTXFEEFZSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCCC1 ZINC000923511799 644477574 /nfs/dbraw/zinc/47/75/74/644477574.db2.gz VIFLYQZAGTXBHU-RTXFEEFZSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515085 644480402 /nfs/dbraw/zinc/48/04/02/644480402.db2.gz CNTRSWCCAVRNNT-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP Cl/C=C/C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518313 644483517 /nfs/dbraw/zinc/48/35/17/644483517.db2.gz CSSQENZJLBWIHC-ZNRHVGLYSA-N 2 1 200.713 1.280 20 0 BDADMP Cl/C=C/C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518313 644483523 /nfs/dbraw/zinc/48/35/23/644483523.db2.gz CSSQENZJLBWIHC-ZNRHVGLYSA-N 2 1 200.713 1.280 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923529895 644484064 /nfs/dbraw/zinc/48/40/64/644484064.db2.gz CXONMMFRUKWVRR-KGLIPLIRSA-N 2 1 240.391 1.613 20 0 BDADMP CCn1cnc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000923558860 644496826 /nfs/dbraw/zinc/49/68/26/644496826.db2.gz YECPICBIMVTRLD-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP CCn1cnc2c1CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000923558118 644503011 /nfs/dbraw/zinc/50/30/11/644503011.db2.gz QRWIUIVUKDLSSC-NEPJUHHUSA-N 2 1 248.374 1.389 20 0 BDADMP COC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250461955 644759327 /nfs/dbraw/zinc/75/93/27/644759327.db2.gz LQJPUJSOSAMYRN-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N(C)C ZINC000251847163 644827172 /nfs/dbraw/zinc/82/71/72/644827172.db2.gz RBFYVLGVORSIME-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP OCCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000303621896 644833985 /nfs/dbraw/zinc/83/39/85/644833985.db2.gz ZVPKSUGLWKPKQE-ZDUSSCGKSA-N 2 1 226.364 1.225 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000252549803 644864908 /nfs/dbraw/zinc/86/49/08/644864908.db2.gz OCOGTVGIXAUNPW-MJBXVCDLSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000252549803 644864917 /nfs/dbraw/zinc/86/49/17/644864917.db2.gz OCOGTVGIXAUNPW-MJBXVCDLSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cc[nH+]c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252563062 644865185 /nfs/dbraw/zinc/86/51/85/644865185.db2.gz XDUBJENYUOSWKY-STQMWFEESA-N 2 1 247.342 1.665 20 0 BDADMP Cc1cc[nH+]c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252563062 644865186 /nfs/dbraw/zinc/86/51/86/644865186.db2.gz XDUBJENYUOSWKY-STQMWFEESA-N 2 1 247.342 1.665 20 0 BDADMP C[C@H]1C[N@H+](CCSC(F)(F)F)CC[C@H]1[NH3+] ZINC000253154336 644940443 /nfs/dbraw/zinc/94/04/43/644940443.db2.gz AONWDBIYWIUCGW-JGVFFNPUSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@H]1C[N@@H+](CCSC(F)(F)F)CC[C@H]1[NH3+] ZINC000253154336 644940449 /nfs/dbraw/zinc/94/04/49/644940449.db2.gz AONWDBIYWIUCGW-JGVFFNPUSA-N 2 1 242.310 1.909 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C(C)C)C1CC1)C[NH+](C)C ZINC000926965722 645500433 /nfs/dbraw/zinc/50/04/33/645500433.db2.gz SXTCPVKWBXFVAF-KGLIPLIRSA-N 2 1 242.407 1.977 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@@H](C)C1 ZINC000927149969 645573594 /nfs/dbraw/zinc/57/35/94/645573594.db2.gz HIPINKUMHUPDSN-CYDGBPFRSA-N 2 1 226.364 1.077 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925494103 645731382 /nfs/dbraw/zinc/73/13/82/645731382.db2.gz NJDVRGXIMUDFOB-NWDGAFQWSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccs2)C1 ZINC000235709212 711524276 /nfs/dbraw/zinc/52/42/76/711524276.db2.gz QSRYSYUDWDPYKY-LLVKDONJSA-N 2 1 210.346 1.919 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000924697321 646090544 /nfs/dbraw/zinc/09/05/44/646090544.db2.gz KTERKOAZRBAXJX-XQQFMLRXSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnnc1 ZINC000924696334 646091635 /nfs/dbraw/zinc/09/16/35/646091635.db2.gz OHOPZHOJZRKSQI-YUTCNCBUSA-N 2 1 246.358 1.754 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnnc1 ZINC000924696334 646091641 /nfs/dbraw/zinc/09/16/41/646091641.db2.gz OHOPZHOJZRKSQI-YUTCNCBUSA-N 2 1 246.358 1.754 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1(Cl)CC1 ZINC000924757424 646102411 /nfs/dbraw/zinc/10/24/11/646102411.db2.gz OQWVTSCKOCWYDC-MNOVXSKESA-N 2 1 246.782 1.193 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924755831 646102689 /nfs/dbraw/zinc/10/26/89/646102689.db2.gz XKCSKRVWFZTUCZ-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924951023 646139313 /nfs/dbraw/zinc/13/93/13/646139313.db2.gz BFFUXYZTDOLELT-AVGNSLFASA-N 2 1 242.407 1.977 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000925012807 646157989 /nfs/dbraw/zinc/15/79/89/646157989.db2.gz WQYVNWMURXQGKN-RFQIPJPRSA-N 2 1 240.391 1.589 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC1(C)C ZINC000925392117 646256632 /nfs/dbraw/zinc/25/66/32/646256632.db2.gz CTVWMBKWEHBMHY-FXJUQPSGSA-N 2 1 222.376 1.962 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000925477096 646291280 /nfs/dbraw/zinc/29/12/80/646291280.db2.gz LEHHLZOGNSPGMH-CHWSQXEVSA-N 2 1 240.391 1.658 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925479321 646291492 /nfs/dbraw/zinc/29/14/92/646291492.db2.gz GCGCOAARTVJENJ-MBNYWOFBSA-N 2 1 236.359 1.947 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925479319 646291645 /nfs/dbraw/zinc/29/16/45/646291645.db2.gz GCGCOAARTVJENJ-BZPMIXESSA-N 2 1 236.359 1.947 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925479995 646292654 /nfs/dbraw/zinc/29/26/54/646292654.db2.gz UHHQLDXJXXFTSI-QWRGUYRKSA-N 2 1 236.363 1.416 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925478631 646292701 /nfs/dbraw/zinc/29/27/01/646292701.db2.gz VPEKHIXGOHNODF-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925483543 646294047 /nfs/dbraw/zinc/29/40/47/646294047.db2.gz UJFXCTJUSDZSNV-LBPRGKRZSA-N 2 1 227.396 1.448 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486252 646296968 /nfs/dbraw/zinc/29/69/68/646296968.db2.gz GKSBYOUORKPXKW-SRVKXCTJSA-N 2 1 225.380 1.186 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486252 646296970 /nfs/dbraw/zinc/29/69/70/646296970.db2.gz GKSBYOUORKPXKW-SRVKXCTJSA-N 2 1 225.380 1.186 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000925500220 646304500 /nfs/dbraw/zinc/30/45/00/646304500.db2.gz BHVWMQLSICXSFR-ZDUSSCGKSA-N 2 1 218.344 1.959 20 0 BDADMP CSCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925502516 646305624 /nfs/dbraw/zinc/30/56/24/646305624.db2.gz FPVYOHQXLDLIIH-SNVBAGLBSA-N 2 1 214.378 1.614 20 0 BDADMP C[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511555 646310828 /nfs/dbraw/zinc/31/08/28/646310828.db2.gz OYQGIPDXOOMKNM-YPMHNXCESA-N 2 1 239.407 1.576 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000925529253 646314573 /nfs/dbraw/zinc/31/45/73/646314573.db2.gz DEKVZEKAYFCZCZ-VHSXEESVSA-N 2 1 214.378 1.612 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925527138 646316968 /nfs/dbraw/zinc/31/69/68/646316968.db2.gz MCDVQJGDYJUJQY-QWRGUYRKSA-N 2 1 214.353 1.388 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCNc1ccccn1 ZINC000925537157 646321491 /nfs/dbraw/zinc/32/14/91/646321491.db2.gz JTIQXNQEYXXPON-LBPRGKRZSA-N 2 1 248.374 1.614 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000929790534 646321998 /nfs/dbraw/zinc/32/19/98/646321998.db2.gz KIUZDOPGOCBZRU-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000929790534 646322003 /nfs/dbraw/zinc/32/20/03/646322003.db2.gz KIUZDOPGOCBZRU-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000929790534 646322007 /nfs/dbraw/zinc/32/20/07/646322007.db2.gz KIUZDOPGOCBZRU-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925543336 646323642 /nfs/dbraw/zinc/32/36/42/646323642.db2.gz MPSIEIGORQOYRP-NEPJUHHUSA-N 2 1 234.347 1.146 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccncc1 ZINC000925542713 646324863 /nfs/dbraw/zinc/32/48/63/646324863.db2.gz OKZYSEYARVJINX-AAEUAGOBSA-N 2 1 233.359 1.915 20 0 BDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccn[nH]1 ZINC000925550304 646327312 /nfs/dbraw/zinc/32/73/12/646327312.db2.gz QTTBTEDGERRVIR-GJYTXDDASA-N 2 1 220.320 1.015 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925556713 646331086 /nfs/dbraw/zinc/33/10/86/646331086.db2.gz MDDPLHRNCJFZCB-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925608841 646357617 /nfs/dbraw/zinc/35/76/17/646357617.db2.gz KQUHMVPHNQMYLD-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOC3CC3)CC[C@@H]21 ZINC000929842873 646354634 /nfs/dbraw/zinc/35/46/34/646354634.db2.gz DYPYUUZPRMEATO-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOC3CC3)CC[C@@H]21 ZINC000929842873 646354638 /nfs/dbraw/zinc/35/46/38/646354638.db2.gz DYPYUUZPRMEATO-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOC3CC3)CC[C@@H]21 ZINC000929842873 646354646 /nfs/dbraw/zinc/35/46/46/646354646.db2.gz DYPYUUZPRMEATO-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@](O)(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925607484 646357889 /nfs/dbraw/zinc/35/78/89/646357889.db2.gz BTSPEELANQVKHS-CHWSQXEVSA-N 2 1 238.375 1.412 20 0 BDADMP C[C@](O)(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925607487 646358467 /nfs/dbraw/zinc/35/84/67/646358467.db2.gz BTSPEELANQVKHS-STQMWFEESA-N 2 1 238.375 1.412 20 0 BDADMP C[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925614688 646363428 /nfs/dbraw/zinc/36/34/28/646363428.db2.gz ZZZRLQBBRRLRPJ-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP CCOCCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925622455 646369160 /nfs/dbraw/zinc/36/91/60/646369160.db2.gz NLFORUADXYTNDD-STQMWFEESA-N 2 1 240.391 1.923 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925624787 646369685 /nfs/dbraw/zinc/36/96/85/646369685.db2.gz CDKNIHNGWMTJQP-NSHDSACASA-N 2 1 228.380 1.515 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCO1 ZINC000925627719 646373865 /nfs/dbraw/zinc/37/38/65/646373865.db2.gz ZPQUVYOBTFZDCM-RWMBFGLXSA-N 2 1 238.375 1.818 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCO1 ZINC000925627718 646374417 /nfs/dbraw/zinc/37/44/17/646374417.db2.gz ZPQUVYOBTFZDCM-AVGNSLFASA-N 2 1 238.375 1.818 20 0 BDADMP CC[C@@H](CO)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000929961357 646378529 /nfs/dbraw/zinc/37/85/29/646378529.db2.gz LKBHZSIHSPGYGQ-LBPRGKRZSA-N 2 1 214.353 1.220 20 0 BDADMP CCOC1CC(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925649146 646388837 /nfs/dbraw/zinc/38/88/37/646388837.db2.gz HUNHQINNTOYDLU-GFJIZPEISA-N 2 1 240.391 1.922 20 0 BDADMP CSC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925654725 646393701 /nfs/dbraw/zinc/39/37/01/646393701.db2.gz CFTIUQCRFWJMFN-JTQLQIEISA-N 2 1 226.389 1.756 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925668604 646399563 /nfs/dbraw/zinc/39/95/63/646399563.db2.gz IOOJVYYFLRSZPW-OLZOCXBDSA-N 2 1 239.407 1.589 20 0 BDADMP CC(C)SCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925670214 646399669 /nfs/dbraw/zinc/39/96/69/646399669.db2.gz HZDRNTMFOGLDJC-JTQLQIEISA-N 2 1 216.394 1.858 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925683189 646410443 /nfs/dbraw/zinc/41/04/43/646410443.db2.gz MGAOWUCNCUWRQM-UTUOFQBUSA-N 2 1 224.348 1.428 20 0 BDADMP Cc1cccnc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925683479 646411974 /nfs/dbraw/zinc/41/19/74/646411974.db2.gz QSKSNRVJRSAWRE-AWEZNQCLSA-N 2 1 245.370 1.807 20 0 BDADMP C[C@H]1NCCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000925686508 646413287 /nfs/dbraw/zinc/41/32/87/646413287.db2.gz VPTDVHTUQYKRNA-TZMCWYRMSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000925686508 646413290 /nfs/dbraw/zinc/41/32/90/646413290.db2.gz VPTDVHTUQYKRNA-TZMCWYRMSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000925686508 646413292 /nfs/dbraw/zinc/41/32/92/646413292.db2.gz VPTDVHTUQYKRNA-TZMCWYRMSA-N 3 1 239.407 1.591 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000925689364 646414632 /nfs/dbraw/zinc/41/46/32/646414632.db2.gz IEPPREMUFPBOBV-GRYCIOLGSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000925691229 646416017 /nfs/dbraw/zinc/41/60/17/646416017.db2.gz LGCKBBCNYVPZNB-XYJRDEOASA-N 2 1 208.349 1.763 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925696260 646422270 /nfs/dbraw/zinc/42/22/70/646422270.db2.gz YOSPAKIXJPLEBT-GRYCIOLGSA-N 2 1 212.337 1.001 20 0 BDADMP CC1(C)C[C@@H](N[C@H]2CCC[C@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925697815 646423149 /nfs/dbraw/zinc/42/31/49/646423149.db2.gz AOOUMCQPHXSZGO-RNJOBUHISA-N 2 1 239.407 1.752 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000925703022 646426323 /nfs/dbraw/zinc/42/63/23/646426323.db2.gz RXVZNUVSRMMEJG-YUTCNCBUSA-N 2 1 245.370 1.753 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925703219 646426785 /nfs/dbraw/zinc/42/67/85/646426785.db2.gz COSXMWLQORJMIG-NWDGAFQWSA-N 2 1 239.407 1.589 20 0 BDADMP Cc1ccncc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925704396 646428606 /nfs/dbraw/zinc/42/86/06/646428606.db2.gz GSLGORJDFDUCQX-CQSZACIVSA-N 2 1 245.370 1.807 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925704176 646428634 /nfs/dbraw/zinc/42/86/34/646428634.db2.gz BSDXMQSTXNVGAZ-GFCCVEGCSA-N 2 1 206.333 1.971 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCC2 ZINC000925705476 646431332 /nfs/dbraw/zinc/43/13/32/646431332.db2.gz JJVBZGPVXIEXKD-CHWSQXEVSA-N 2 1 235.375 1.156 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925708344 646432850 /nfs/dbraw/zinc/43/28/50/646432850.db2.gz SJJITEYDXLQMAY-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000925715521 646441344 /nfs/dbraw/zinc/44/13/44/646441344.db2.gz JFSOJWATUZWXEL-AAEUAGOBSA-N 2 1 222.332 1.942 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)[C@@H](C)O1 ZINC000925726056 646452454 /nfs/dbraw/zinc/45/24/54/646452454.db2.gz PUGWROLEIXPZFC-FVCCEPFGSA-N 2 1 238.375 1.817 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729235 646453192 /nfs/dbraw/zinc/45/31/92/646453192.db2.gz ZHEBSTXFQFSEGY-MHDGFBEUSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@@H]([NH3+])[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729235 646453196 /nfs/dbraw/zinc/45/31/96/646453196.db2.gz ZHEBSTXFQFSEGY-MHDGFBEUSA-N 2 1 233.359 1.402 20 0 BDADMP CCn1ccnc1[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925738658 646460079 /nfs/dbraw/zinc/46/00/79/646460079.db2.gz RVBNCUXWRGNJBW-SNVBAGLBSA-N 2 1 224.352 1.681 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cc(N)ccn2)C1 ZINC000925768094 646468679 /nfs/dbraw/zinc/46/86/79/646468679.db2.gz SKFHIQPGRJKLOY-NWDGAFQWSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@H](NCc1cc(N)cc[nH+]1)[C@@H]1CCCO1 ZINC000925767428 646468918 /nfs/dbraw/zinc/46/89/18/646468918.db2.gz OQFUITJVXROFLZ-CABZTGNLSA-N 2 1 221.304 1.321 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925775738 646475364 /nfs/dbraw/zinc/47/53/64/646475364.db2.gz RSZCZQDTTRAJSB-JHJVBQTASA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925783506 646479532 /nfs/dbraw/zinc/47/95/32/646479532.db2.gz CXWPHBIWQJXSCT-XQHKEYJVSA-N 2 1 239.407 1.338 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925787301 646482629 /nfs/dbraw/zinc/48/26/29/646482629.db2.gz YEKVJTCBZGIIKE-USWWRNFRSA-N 2 1 234.347 1.291 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925800285 646487089 /nfs/dbraw/zinc/48/70/89/646487089.db2.gz YHIATTDEMVERIU-XJFOESAGSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000925800285 646487093 /nfs/dbraw/zinc/48/70/93/646487093.db2.gz YHIATTDEMVERIU-XJFOESAGSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829671 646499478 /nfs/dbraw/zinc/49/94/78/646499478.db2.gz FUAFYKBMCLVURI-BJJPWKGXSA-N 2 1 236.359 1.308 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC=CC1 ZINC000925830353 646501683 /nfs/dbraw/zinc/50/16/83/646501683.db2.gz CVEONTAXYUSJHC-AAEUAGOBSA-N 2 1 208.349 1.930 20 0 BDADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccnn1C ZINC000925839677 646506064 /nfs/dbraw/zinc/50/60/64/646506064.db2.gz IYHQGFCWAYSWQW-MRVWCRGKSA-N 2 1 248.374 1.603 20 0 BDADMP N[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000925879439 646528820 /nfs/dbraw/zinc/52/88/20/646528820.db2.gz DQRJBHLWWIPZSG-JLUCKKNBSA-N 2 1 245.370 1.848 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925891140 646533627 /nfs/dbraw/zinc/53/36/27/646533627.db2.gz SPDOZHSVVKJUND-ONGXEEELSA-N 2 1 237.347 1.633 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(F)(F)C1 ZINC000926283104 646610536 /nfs/dbraw/zinc/61/05/36/646610536.db2.gz JBXQYUDEGNRJMZ-SLHIUPAKSA-N 2 1 230.302 1.714 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCCCO ZINC000396617564 711702720 /nfs/dbraw/zinc/70/27/20/711702720.db2.gz GTAYKFQEPSHDAV-VXGBXAGGSA-N 2 1 214.353 1.269 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC000069721152 711893224 /nfs/dbraw/zinc/89/32/24/711893224.db2.gz WYAWJLBECPBWPE-QLCVYAKKSA-N 2 1 202.729 1.942 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000721921287 711937158 /nfs/dbraw/zinc/93/71/58/711937158.db2.gz XJCHHXPTFYJVBA-NDBYEHHHSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000721921287 711937159 /nfs/dbraw/zinc/93/71/59/711937159.db2.gz XJCHHXPTFYJVBA-NDBYEHHHSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC000702111995 712039551 /nfs/dbraw/zinc/03/95/51/712039551.db2.gz VJIQYBTZYLYIFM-QWHCGFSZSA-N 2 1 208.349 1.718 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000704816351 712118346 /nfs/dbraw/zinc/11/83/46/712118346.db2.gz VIGHMECQESQJDT-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708325821 712187146 /nfs/dbraw/zinc/18/71/46/712187146.db2.gz YESNWMVNFSIIAR-GRYCIOLGSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708338117 712189063 /nfs/dbraw/zinc/18/90/63/712189063.db2.gz REWYFXMKEPDTOI-SRVKXCTJSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000711106648 712280755 /nfs/dbraw/zinc/28/07/55/712280755.db2.gz GULXXJZBNJRJTB-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP FC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711440263 712300558 /nfs/dbraw/zinc/30/05/58/712300558.db2.gz DBOCEWLKUXCOCZ-NWDGAFQWSA-N 2 1 242.338 1.189 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOC2CC2)[C@@H]1CC[NH3+] ZINC000711776981 712328766 /nfs/dbraw/zinc/32/87/66/712328766.db2.gz PYLSVRUHZMWSLJ-WCQYABFASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713398394 712459292 /nfs/dbraw/zinc/45/92/92/712459292.db2.gz JXBYOWNORPZUGJ-SECBINFHSA-N 2 1 240.269 1.584 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000713398394 712459293 /nfs/dbraw/zinc/45/92/93/712459293.db2.gz JXBYOWNORPZUGJ-SECBINFHSA-N 2 1 240.269 1.584 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713588927 712465909 /nfs/dbraw/zinc/46/59/09/712465909.db2.gz YGWQFHOKMFDBJT-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)C[C@H]21 ZINC000715458754 712519745 /nfs/dbraw/zinc/51/97/45/712519745.db2.gz KLQKUUIYBOMPNC-PHIMTYICSA-N 2 1 230.302 1.573 20 0 BDADMP C[NH+](C)C1(C)CCC([NH2+]Cc2c[nH]cn2)CC1 ZINC000715514396 712524958 /nfs/dbraw/zinc/52/49/58/712524958.db2.gz WEWYNJNODNVTOO-UHFFFAOYSA-N 2 1 236.363 1.762 20 0 BDADMP CC[C@H](C[C@@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716841461 712578061 /nfs/dbraw/zinc/57/80/61/712578061.db2.gz DZSKUICJAMFLSU-DUJLVANISA-N 2 1 240.391 1.751 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000716853566 712578558 /nfs/dbraw/zinc/57/85/58/712578558.db2.gz PPYUFTGPLFPDKB-DGAVXFQQSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000716843560 712578405 /nfs/dbraw/zinc/57/84/05/712578405.db2.gz KPFJVHOKFTWTGY-QJPTWQEYSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000719784579 712824389 /nfs/dbraw/zinc/82/43/89/712824389.db2.gz YEFMIQMVZKJQRC-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](C)CC2)CC[NH2+]1 ZINC000719777928 712824583 /nfs/dbraw/zinc/82/45/83/712824583.db2.gz JLMSCVWTCPEXBS-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000719768440 712823614 /nfs/dbraw/zinc/82/36/14/712823614.db2.gz IFIXNCAQYANVGN-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@]1(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC[NH2+]C1 ZINC000381570528 710655878 /nfs/dbraw/zinc/65/58/78/710655878.db2.gz WXEAFNKBQXSPPM-MJBXVCDLSA-N 2 1 220.360 1.884 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CC2)CC[N@@H+]1C ZINC000381729339 710689713 /nfs/dbraw/zinc/68/97/13/710689713.db2.gz NDNBIDHVMQJOLV-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CC2)CC[N@H+]1C ZINC000381729339 710689717 /nfs/dbraw/zinc/68/97/17/710689717.db2.gz NDNBIDHVMQJOLV-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000721909856 710690055 /nfs/dbraw/zinc/69/00/55/710690055.db2.gz CFGZQTSUZHGYBA-IHRRRGAJSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000721909856 710690078 /nfs/dbraw/zinc/69/00/78/710690078.db2.gz CFGZQTSUZHGYBA-IHRRRGAJSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000721963721 710694678 /nfs/dbraw/zinc/69/46/78/710694678.db2.gz LDXYPUIHVWRJTG-IHRRRGAJSA-N 2 1 242.407 1.822 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000380502648 712901235 /nfs/dbraw/zinc/90/12/35/712901235.db2.gz GWLLUBLTZDSTMF-KXNHARMFSA-N 2 1 212.337 1.223 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000382082781 710774974 /nfs/dbraw/zinc/77/49/74/710774974.db2.gz FLVQEALGOUYJNN-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000382082781 710774975 /nfs/dbraw/zinc/77/49/75/710774975.db2.gz FLVQEALGOUYJNN-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)o1 ZINC000382161815 710801362 /nfs/dbraw/zinc/80/13/62/710801362.db2.gz COSJJBGRLGGGRF-LDYMZIIASA-N 2 1 223.320 1.603 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)o1 ZINC000382161815 710801365 /nfs/dbraw/zinc/80/13/65/710801365.db2.gz COSJJBGRLGGGRF-LDYMZIIASA-N 2 1 223.320 1.603 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396716766 710906563 /nfs/dbraw/zinc/90/65/63/710906563.db2.gz UEBIIDMRLFSDES-TUAOUCFPSA-N 2 1 214.353 1.125 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396716763 710906580 /nfs/dbraw/zinc/90/65/80/710906580.db2.gz UEBIIDMRLFSDES-IJLUTSLNSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000396715118 710906939 /nfs/dbraw/zinc/90/69/39/710906939.db2.gz QYNAHYUXEHZIBP-WCQYABFASA-N 3 1 225.380 1.058 20 0 BDADMP COCCOCCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396678946 710907393 /nfs/dbraw/zinc/90/73/93/710907393.db2.gz VCHSGHOGBHBQSO-QWHCGFSZSA-N 2 1 244.379 1.160 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396712768 710907964 /nfs/dbraw/zinc/90/79/64/710907964.db2.gz RRTSVNZABPCEEH-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000133089471 710967666 /nfs/dbraw/zinc/96/76/66/710967666.db2.gz WCFZFUMNLKKCJT-NEPJUHHUSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC000385419366 711013035 /nfs/dbraw/zinc/01/30/35/711013035.db2.gz XVCQUAMHFIVXPF-HLVVYCRESA-N 2 1 248.374 1.696 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C)c1 ZINC000385419366 711013040 /nfs/dbraw/zinc/01/30/40/711013040.db2.gz XVCQUAMHFIVXPF-HLVVYCRESA-N 2 1 248.374 1.696 20 0 BDADMP CC[N@@H+](CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000385543575 711015075 /nfs/dbraw/zinc/01/50/75/711015075.db2.gz VAZNFVRNXOFVNV-WPTOEGHWSA-N 2 1 249.402 1.057 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C1 ZINC000389239200 711073932 /nfs/dbraw/zinc/07/39/32/711073932.db2.gz XMCPFFMRQXNANY-VGMNWLOBSA-N 2 1 206.280 1.747 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000389706339 711086488 /nfs/dbraw/zinc/08/64/88/711086488.db2.gz LBJJGDKWQYJZNY-BBBLOLIVSA-N 2 1 220.307 1.947 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000390019674 711104858 /nfs/dbraw/zinc/10/48/58/711104858.db2.gz CMGMPVDEAYUREM-SNVBAGLBSA-N 2 1 220.307 1.963 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CC[N@H+]1C ZINC000390593260 711128514 /nfs/dbraw/zinc/12/85/14/711128514.db2.gz ZUWWFTUNGIMEIT-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP OCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390765897 711133684 /nfs/dbraw/zinc/13/36/84/711133684.db2.gz QNHKCMDPLYGKOR-BETUJISGSA-N 2 1 226.364 1.080 20 0 BDADMP C(CC1CC1)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000394495649 711193641 /nfs/dbraw/zinc/19/36/41/711193641.db2.gz NPJIIKCNDBVEKR-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C(CC1CC1)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000394495649 711193644 /nfs/dbraw/zinc/19/36/44/711193644.db2.gz NPJIIKCNDBVEKR-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000393787864 711174617 /nfs/dbraw/zinc/17/46/17/711174617.db2.gz FYEQJYLUWAEWGN-ZYHUDNBSSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000393787864 711174621 /nfs/dbraw/zinc/17/46/21/711174621.db2.gz FYEQJYLUWAEWGN-ZYHUDNBSSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396612572 711360802 /nfs/dbraw/zinc/36/08/02/711360802.db2.gz KMSDKXYALRYIOI-OLZOCXBDSA-N 2 1 227.396 1.447 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000396570263 711355264 /nfs/dbraw/zinc/35/52/64/711355264.db2.gz AJWPNBWJWKPXCO-CYDGBPFRSA-N 2 1 226.364 1.268 20 0 BDADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396592275 711355564 /nfs/dbraw/zinc/35/55/64/711355564.db2.gz KDBGRNYSCPFVOX-SRVKXCTJSA-N 2 1 241.379 1.021 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000396587937 711356983 /nfs/dbraw/zinc/35/69/83/711356983.db2.gz BBCPDWCZCQUIKB-QJPTWQEYSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000396587941 711357933 /nfs/dbraw/zinc/35/79/33/711357933.db2.gz BBCPDWCZCQUIKB-SDDRHHMPSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000396587455 711357997 /nfs/dbraw/zinc/35/79/97/711357997.db2.gz IGFXKECSQUJYFT-STQMWFEESA-N 2 1 240.391 1.659 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396594433 711358476 /nfs/dbraw/zinc/35/84/76/711358476.db2.gz DSGDQLDOXJCSGB-SDDRHHMPSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000396592013 711359318 /nfs/dbraw/zinc/35/93/18/711359318.db2.gz UDWGPPOILZKIQZ-SFYZADRCSA-N 2 1 242.310 1.970 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000397604533 711388170 /nfs/dbraw/zinc/38/81/70/711388170.db2.gz ADHNNKXICLDFDZ-SDDRHHMPSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]([NH2+]CCc1ccnn1C)[C@H]1CCCC[NH2+]1 ZINC000385965653 711021301 /nfs/dbraw/zinc/02/13/01/711021301.db2.gz GBHFBJACPNWVEZ-DGCLKSJQSA-N 2 1 236.363 1.083 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386572150 711033280 /nfs/dbraw/zinc/03/32/80/711033280.db2.gz LZMLTKUWLRVBCK-RWMBFGLXSA-N 2 1 228.380 1.514 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000392655235 711149812 /nfs/dbraw/zinc/14/98/12/711149812.db2.gz XGHUUMZBSJIMEE-GFCCVEGCSA-N 2 1 235.331 1.219 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396726617 711368513 /nfs/dbraw/zinc/36/85/13/711368513.db2.gz WPSCWPPOECUGCC-GMTAPVOTSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000396722081 711369018 /nfs/dbraw/zinc/36/90/18/711369018.db2.gz UISSNAOLXZGOLH-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)OC ZINC000396729973 711369075 /nfs/dbraw/zinc/36/90/75/711369075.db2.gz XTWKMWQOVNEFDE-UTUOFQBUSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000396723140 711369514 /nfs/dbraw/zinc/36/95/14/711369514.db2.gz USIKJPICBOYDNT-WCBMZHEXSA-N 2 1 218.291 1.762 20 0 BDADMP C=C/C=C\CC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000713757428 711455039 /nfs/dbraw/zinc/45/50/39/711455039.db2.gz IPWPDPAWZRYNII-NTQVKLLNSA-N 2 1 224.348 1.414 20 0 BDADMP c1coc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000383190468 711460336 /nfs/dbraw/zinc/46/03/36/711460336.db2.gz RUIAAECMHRVNMX-SZZQBSIJSA-N 2 1 232.327 1.408 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000723633830 711527687 /nfs/dbraw/zinc/52/76/87/711527687.db2.gz MGRLKPFBLVXKIA-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000723633830 711527688 /nfs/dbraw/zinc/52/76/88/711527688.db2.gz MGRLKPFBLVXKIA-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000891475238 711532330 /nfs/dbraw/zinc/53/23/30/711532330.db2.gz DVJUCDYPCUWVDH-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723708909 711535694 /nfs/dbraw/zinc/53/56/94/711535694.db2.gz IUPVRUGEZXWJGF-LLVKDONJSA-N 2 1 237.347 1.716 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000723909619 711545100 /nfs/dbraw/zinc/54/51/00/711545100.db2.gz RSNBHIFKYLLAKL-DGCLKSJQSA-N 2 1 236.363 1.320 20 0 BDADMP Cc1cn(C)nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000723965948 711548527 /nfs/dbraw/zinc/54/85/27/711548527.db2.gz ZIVOSIVMPDGYBB-XQQFMLRXSA-N 2 1 248.374 1.288 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000723965948 711548529 /nfs/dbraw/zinc/54/85/29/711548529.db2.gz ZIVOSIVMPDGYBB-XQQFMLRXSA-N 2 1 248.374 1.288 20 0 BDADMP CCSCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725049906 711647047 /nfs/dbraw/zinc/64/70/47/711647047.db2.gz VYKJJIZUIYUBOX-UHFFFAOYSA-N 2 1 232.393 1.179 20 0 BDADMP CCSCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725049906 711647049 /nfs/dbraw/zinc/64/70/49/711647049.db2.gz VYKJJIZUIYUBOX-UHFFFAOYSA-N 2 1 232.393 1.179 20 0 BDADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)co1 ZINC000925712215 711711888 /nfs/dbraw/zinc/71/18/88/711711888.db2.gz WZMJQRZPLJUNPI-LBPRGKRZSA-N 2 1 220.316 1.696 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCn3ccnc3)C[C@@H]2C1 ZINC000931439851 711713878 /nfs/dbraw/zinc/71/38/78/711713878.db2.gz OXGMEPKQZMWGHH-KGLIPLIRSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCn3ccnc3)C[C@@H]2C1 ZINC000931439851 711713881 /nfs/dbraw/zinc/71/38/81/711713881.db2.gz OXGMEPKQZMWGHH-KGLIPLIRSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCn3ccnc3)C[C@@H]2C1 ZINC000931439851 711713883 /nfs/dbraw/zinc/71/38/83/711713883.db2.gz OXGMEPKQZMWGHH-KGLIPLIRSA-N 2 1 248.374 1.157 20 0 BDADMP COC(=O)CC[N@@H+](CC1CC[NH2+]CC1)C(C)C ZINC000094025881 711736745 /nfs/dbraw/zinc/73/67/45/711736745.db2.gz GFKYAWMEYBKOMO-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925786710 711751013 /nfs/dbraw/zinc/75/10/13/711751013.db2.gz VFMDMHDRLKGXNK-FVCCEPFGSA-N 2 1 240.391 1.776 20 0 BDADMP c1ccc2c(c1)CCO[C@H]2CC[NH2+][C@H]1CC[NH2+]C1 ZINC000925879585 711762140 /nfs/dbraw/zinc/76/21/40/711762140.db2.gz ABLVSHYPIHZQJM-ZFWWWQNUSA-N 2 1 246.354 1.642 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229066285 711837284 /nfs/dbraw/zinc/83/72/84/711837284.db2.gz JSDQYWJUGFUARG-PWSUYJOCSA-N 2 1 249.358 1.512 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000721912118 711917458 /nfs/dbraw/zinc/91/74/58/711917458.db2.gz BRFNORQOJDDKKV-AGIUHOORSA-N 2 1 226.364 1.199 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000721912118 711917459 /nfs/dbraw/zinc/91/74/59/711917459.db2.gz BRFNORQOJDDKKV-AGIUHOORSA-N 2 1 226.364 1.199 20 0 BDADMP COc1cncc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000700110936 711986272 /nfs/dbraw/zinc/98/62/72/711986272.db2.gz RENQIQNYDVPWAS-UHFFFAOYSA-N 2 1 246.314 1.156 20 0 BDADMP Cc1cnc(C[N@H+](C)C2CCC([NH3+])CC2)o1 ZINC000700332891 711989984 /nfs/dbraw/zinc/98/99/84/711989984.db2.gz LMJJKTXXYYFCON-UHFFFAOYSA-N 2 1 223.320 1.685 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700382836 711991608 /nfs/dbraw/zinc/99/16/08/711991608.db2.gz GIZSLBQXQAWAJM-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC1CCC1)C2 ZINC000702110619 712038919 /nfs/dbraw/zinc/03/89/19/712038919.db2.gz KJGVZFONFWWYFV-QWHCGFSZSA-N 2 1 208.349 1.718 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000702094996 712039041 /nfs/dbraw/zinc/03/90/41/712039041.db2.gz WWLIIQAPALIQEH-KBPBESRZSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCCF)CC[NH2+]1 ZINC000703161286 712067078 /nfs/dbraw/zinc/06/70/78/712067078.db2.gz AJTFIUYKWMEGCW-MNOVXSKESA-N 2 1 202.317 1.666 20 0 BDADMP C(C[N@@H+]1CCC[NH2+]CC1)C1SCCS1 ZINC000703364828 712073740 /nfs/dbraw/zinc/07/37/40/712073740.db2.gz MFGAOUXYRZCVMI-UHFFFAOYSA-N 2 1 232.418 1.478 20 0 BDADMP C(C[N@H+]1CCC[NH2+]CC1)C1SCCS1 ZINC000703364828 712073741 /nfs/dbraw/zinc/07/37/41/712073741.db2.gz MFGAOUXYRZCVMI-UHFFFAOYSA-N 2 1 232.418 1.478 20 0 BDADMP COC1CC(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000703851319 712090437 /nfs/dbraw/zinc/09/04/37/712090437.db2.gz NYWDMLKDWBVMFV-NPBHJFFNSA-N 2 1 224.348 1.081 20 0 BDADMP CCC(F)(F)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000704724651 712114135 /nfs/dbraw/zinc/11/41/35/712114135.db2.gz UTHSXQJWHUTXKQ-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP CCC(F)(F)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000704724651 712114136 /nfs/dbraw/zinc/11/41/36/712114136.db2.gz UTHSXQJWHUTXKQ-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP CN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705138797 712123425 /nfs/dbraw/zinc/12/34/25/712123425.db2.gz RQCGTQLMUAVMTH-MNOVXSKESA-N 2 1 249.349 1.243 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000705311254 712127555 /nfs/dbraw/zinc/12/75/55/712127555.db2.gz YWWCBFPBGLIMPI-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP COC[C@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000705819825 712136477 /nfs/dbraw/zinc/13/64/77/712136477.db2.gz MVIQDNOMMKGFSU-CYBMUJFWSA-N 2 1 244.379 1.243 20 0 BDADMP COCC1([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000706414662 712145744 /nfs/dbraw/zinc/14/57/44/712145744.db2.gz AIHTUQQVUFCUEY-UHFFFAOYSA-N 2 1 214.353 1.616 20 0 BDADMP [NH3+][C@H](C[NH2+][C@H]1CCCC12CC2)CC(F)F ZINC000706581945 712150563 /nfs/dbraw/zinc/15/05/63/712150563.db2.gz LZYJBRZKYQUJBK-IUCAKERBSA-N 2 1 218.291 1.891 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000708080683 712181112 /nfs/dbraw/zinc/18/11/12/712181112.db2.gz BINNJIXDTLLJEG-POQQGIQPSA-N 2 1 238.375 1.471 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708322813 712187312 /nfs/dbraw/zinc/18/73/12/712187312.db2.gz HTLNNJBODGNBGS-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708348304 712190335 /nfs/dbraw/zinc/19/03/35/712190335.db2.gz MLFOAIQXHICKMT-AGIUHOORSA-N 2 1 240.391 1.718 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000708411606 712194142 /nfs/dbraw/zinc/19/41/42/712194142.db2.gz OFXMKFZGWCXZGU-XQQFMLRXSA-N 2 1 238.375 1.343 20 0 BDADMP CC(C)[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000708901363 712203247 /nfs/dbraw/zinc/20/32/47/712203247.db2.gz WDFJKBFVZWAUOM-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000708901363 712203250 /nfs/dbraw/zinc/20/32/50/712203250.db2.gz WDFJKBFVZWAUOM-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])CC(C)(C)C ZINC000709133217 712210127 /nfs/dbraw/zinc/21/01/27/712210127.db2.gz YMHTUMKOUQUNEM-GHMZBOCLSA-N 2 1 216.369 1.310 20 0 BDADMP COCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000709285909 712219412 /nfs/dbraw/zinc/21/94/12/712219412.db2.gz QQLJPQCYWUSPIB-WDEREUQCSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1[NH3+] ZINC000709965341 712235265 /nfs/dbraw/zinc/23/52/65/712235265.db2.gz BJVXZJOTBVVIPW-ONGXEEELSA-N 2 1 225.361 1.355 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H]3COC[C@@H]32)CCC[NH2+]C1 ZINC000710299030 712250977 /nfs/dbraw/zinc/25/09/77/712250977.db2.gz VWCULKRZMZBWCQ-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000710966571 712269557 /nfs/dbraw/zinc/26/95/57/712269557.db2.gz XVNFGVBTLZXKMI-UHFFFAOYSA-N 2 1 210.346 1.846 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711046897 712276833 /nfs/dbraw/zinc/27/68/33/712276833.db2.gz IEDKJVAOWSXHES-ZOBORPQBSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711046897 712276835 /nfs/dbraw/zinc/27/68/35/712276835.db2.gz IEDKJVAOWSXHES-ZOBORPQBSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](CF)C1 ZINC000711417188 712299484 /nfs/dbraw/zinc/29/94/84/712299484.db2.gz UEPZRSVMAVQTJV-MXWKQRLJSA-N 2 1 200.301 1.133 20 0 BDADMP C[N@@H+](C[C@H](O)CN1CCC[C@H](CF)C1)C1CC1 ZINC000711453671 712303857 /nfs/dbraw/zinc/30/38/57/712303857.db2.gz UNKITXNBNQYXAM-YPMHNXCESA-N 2 1 244.354 1.123 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](CF)C1)C1CC1 ZINC000711453671 712303859 /nfs/dbraw/zinc/30/38/59/712303859.db2.gz UNKITXNBNQYXAM-YPMHNXCESA-N 2 1 244.354 1.123 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](CF)C1)C1CC1 ZINC000711453671 712303860 /nfs/dbraw/zinc/30/38/60/712303860.db2.gz UNKITXNBNQYXAM-YPMHNXCESA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](CF)C1)C1CC1 ZINC000711453671 712303861 /nfs/dbraw/zinc/30/38/61/712303861.db2.gz UNKITXNBNQYXAM-YPMHNXCESA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](CF)C1)C1CC1 ZINC000711453671 712303862 /nfs/dbraw/zinc/30/38/62/712303862.db2.gz UNKITXNBNQYXAM-YPMHNXCESA-N 2 1 244.354 1.123 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000711591295 712311093 /nfs/dbraw/zinc/31/10/93/712311093.db2.gz WARXMVKJDXSELS-ZDEQEGDKSA-N 2 1 240.416 1.669 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711751828 712325047 /nfs/dbraw/zinc/32/50/47/712325047.db2.gz IBIGHIMNTFNLRS-NSHDSACASA-N 2 1 212.337 1.226 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711753406 712325092 /nfs/dbraw/zinc/32/50/92/712325092.db2.gz QNMVZSVQXZTKEY-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@H+](CCOC2CC2)C1 ZINC000711775677 712328584 /nfs/dbraw/zinc/32/85/84/712328584.db2.gz AEKXWESSKPVMAA-LLVKDONJSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@@H+](CCOC2CC2)C1 ZINC000711775677 712328586 /nfs/dbraw/zinc/32/85/86/712328586.db2.gz AEKXWESSKPVMAA-LLVKDONJSA-N 2 1 212.337 1.369 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCOC1CC1 ZINC000711778012 712328809 /nfs/dbraw/zinc/32/88/09/712328809.db2.gz ZNKQVKXEKIPSLW-UHFFFAOYSA-N 2 1 214.353 1.616 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480141 712334351 /nfs/dbraw/zinc/33/43/51/712334351.db2.gz VWCMDEKYEYYJNW-OLZOCXBDSA-N 2 1 228.380 1.454 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000923479195 712334379 /nfs/dbraw/zinc/33/43/79/712334379.db2.gz OGFJKELLYHEROU-WISYIIOYSA-N 2 1 244.329 1.948 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000923480309 712334646 /nfs/dbraw/zinc/33/46/46/712334646.db2.gz WSIQIFXCWVKECN-SNVBAGLBSA-N 2 1 246.445 1.853 20 0 BDADMP C[C@@H](c1ncccn1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479450 712334658 /nfs/dbraw/zinc/33/46/58/712334658.db2.gz PBCSEKUUSRAOMI-QWRGUYRKSA-N 2 1 220.320 1.208 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479439 712334717 /nfs/dbraw/zinc/33/47/17/712334717.db2.gz OXGISVTZDVYDKM-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP CCc1cc(NC[C@H]2CC[N@H+]2C)cc[nH+]1 ZINC000712592966 712435475 /nfs/dbraw/zinc/43/54/75/712435475.db2.gz VFYXBNKWTREMAJ-GFCCVEGCSA-N 2 1 205.305 1.182 20 0 BDADMP CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCC1(C)C ZINC000712622269 712438625 /nfs/dbraw/zinc/43/86/25/712438625.db2.gz NEBYVOYKRILYRA-TXEJJXNPSA-N 2 1 225.380 1.140 20 0 BDADMP C[N@@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)CCC1(C)C ZINC000712622269 712438627 /nfs/dbraw/zinc/43/86/27/712438627.db2.gz NEBYVOYKRILYRA-TXEJJXNPSA-N 2 1 225.380 1.140 20 0 BDADMP C[N@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)CCC1(C)C ZINC000712622269 712438628 /nfs/dbraw/zinc/43/86/28/712438628.db2.gz NEBYVOYKRILYRA-TXEJJXNPSA-N 2 1 225.380 1.140 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000712661895 712439914 /nfs/dbraw/zinc/43/99/14/712439914.db2.gz BVLJDCONQYUXMG-NEPJUHHUSA-N 2 1 228.380 1.576 20 0 BDADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]c(C)c1 ZINC000712566161 712446674 /nfs/dbraw/zinc/44/66/74/712446674.db2.gz VEIHGBKMXRKHLC-GFCCVEGCSA-N 2 1 205.305 1.318 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712698348 712448809 /nfs/dbraw/zinc/44/88/09/712448809.db2.gz YFQSBRYCKHXFKS-AGIUHOORSA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712698348 712448810 /nfs/dbraw/zinc/44/88/10/712448810.db2.gz YFQSBRYCKHXFKS-AGIUHOORSA-N 2 1 208.349 1.846 20 0 BDADMP FCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713155648 712453267 /nfs/dbraw/zinc/45/32/67/712453267.db2.gz BHCSADIEJLCSNE-UHFFFAOYSA-N 2 1 200.301 1.564 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2CC[NH2+]CCC23CCC3)O1 ZINC000713209541 712455140 /nfs/dbraw/zinc/45/51/40/712455140.db2.gz CIKWYQYNKAOPDM-QWHCGFSZSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@H](C[NH3+])[N@H+](C)CCCOC(F)(F)F ZINC000713392448 712459100 /nfs/dbraw/zinc/45/91/00/712459100.db2.gz FSOKBGNCVBNOKY-SSDOTTSWSA-N 2 1 214.231 1.192 20 0 BDADMP C[C@H](C[NH3+])[N@@H+](C)CCCOC(F)(F)F ZINC000713392448 712459101 /nfs/dbraw/zinc/45/91/01/712459101.db2.gz FSOKBGNCVBNOKY-SSDOTTSWSA-N 2 1 214.231 1.192 20 0 BDADMP C[N@@H+](CCCOC(F)(F)F)C1CC([NH3+])C1 ZINC000713415645 712459266 /nfs/dbraw/zinc/45/92/66/712459266.db2.gz PQRLEVMPLFBPGP-UHFFFAOYSA-N 2 1 226.242 1.334 20 0 BDADMP C=C/C=C/CC[N@H+](C)CCOCC[NH2+]C ZINC000713755552 712471741 /nfs/dbraw/zinc/47/17/41/712471741.db2.gz OBIDOEVGWBJIPI-AATRIKPKSA-N 2 1 212.337 1.287 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714376437 712485144 /nfs/dbraw/zinc/48/51/44/712485144.db2.gz ZQGWNKULACRXAQ-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000714692772 712495970 /nfs/dbraw/zinc/49/59/70/712495970.db2.gz WBQHUEFPGDIOBM-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP CCC1([NH+](C)C)CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000715229367 712513895 /nfs/dbraw/zinc/51/38/95/712513895.db2.gz SECSWXDEPBZGRH-BETUJISGSA-N 2 1 239.407 1.530 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715421956 712518389 /nfs/dbraw/zinc/51/83/89/712518389.db2.gz DKCRZJWMJRFSFD-FMKGYKFTSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715391240 712522435 /nfs/dbraw/zinc/52/24/35/712522435.db2.gz DKCRZJWMJRFSFD-ZZVYKPCYSA-N 2 1 238.375 1.471 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715503841 712523850 /nfs/dbraw/zinc/52/38/50/712523850.db2.gz RJWDVNGCTHMBIL-WCFLWFBJSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715503829 712523957 /nfs/dbraw/zinc/52/39/57/712523957.db2.gz RJWDVNGCTHMBIL-CYZMBNFOSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715511681 712524589 /nfs/dbraw/zinc/52/45/89/712524589.db2.gz STZVTGUQECZCDC-GHYVTOPFSA-N 2 1 238.375 1.613 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037155266 712549886 /nfs/dbraw/zinc/54/98/86/712549886.db2.gz MDEWHEZQQGLLJE-FUDCBSFHSA-N 2 1 248.374 1.486 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000716843561 712578337 /nfs/dbraw/zinc/57/83/37/712578337.db2.gz KPFJVHOKFTWTGY-TUAOUCFPSA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717647070 712663334 /nfs/dbraw/zinc/66/33/34/712663334.db2.gz BOWAAIKNICMSHS-MNOVXSKESA-N 2 1 228.380 1.765 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717910698 712733042 /nfs/dbraw/zinc/73/30/42/712733042.db2.gz GBNWXJCJHRUQST-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000717954324 712734668 /nfs/dbraw/zinc/73/46/68/712734668.db2.gz CWVLZEWZFZLPGL-YFKTTZPYSA-N 2 1 212.337 1.223 20 0 BDADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000719649988 712820707 /nfs/dbraw/zinc/82/07/07/712820707.db2.gz WKSJGIMEMSQEHL-OCCSQVGLSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C)[C@@H]2C)CC1 ZINC000719649988 712820708 /nfs/dbraw/zinc/82/07/08/712820708.db2.gz WKSJGIMEMSQEHL-OCCSQVGLSA-N 2 1 239.407 1.541 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719834013 712823639 /nfs/dbraw/zinc/82/36/39/712823639.db2.gz USRACWCHAILNRU-JTQLQIEISA-N 2 1 225.361 1.356 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000719784481 712824727 /nfs/dbraw/zinc/82/47/27/712824727.db2.gz XFTUPHSVMUXHLE-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720145240 712827867 /nfs/dbraw/zinc/82/78/67/712827867.db2.gz WBHBHZYZMQHVDI-QWHCGFSZSA-N 2 1 240.391 1.923 20 0 BDADMP CC(C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720294609 712830367 /nfs/dbraw/zinc/83/03/67/712830367.db2.gz LLWWWZIDGYHMLH-LLVKDONJSA-N 2 1 212.337 1.143 20 0 BDADMP CCCCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250814945 712834899 /nfs/dbraw/zinc/83/48/99/712834899.db2.gz ISOKXSLXSBWDRH-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250814945 712834901 /nfs/dbraw/zinc/83/49/01/712834901.db2.gz ISOKXSLXSBWDRH-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP C[NH2+]CC[N@H+](CC[C@H]1CCCO1)C(C)C ZINC000720777001 712865325 /nfs/dbraw/zinc/86/53/25/712865325.db2.gz YGPAYQRHPXLHMG-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP C[NH2+]CC[N@@H+](CC[C@H]1CCCO1)C(C)C ZINC000720777001 712865326 /nfs/dbraw/zinc/86/53/26/712865326.db2.gz YGPAYQRHPXLHMG-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720808999 712867152 /nfs/dbraw/zinc/86/71/52/712867152.db2.gz YQTONXHARKNMKX-YIZRAAEISA-N 2 1 240.269 1.090 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720808999 712867153 /nfs/dbraw/zinc/86/71/53/712867153.db2.gz YQTONXHARKNMKX-YIZRAAEISA-N 2 1 240.269 1.090 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000720829816 712868827 /nfs/dbraw/zinc/86/88/27/712868827.db2.gz FESKHSFPAHOVOT-NIFZNCRKSA-N 2 1 234.387 1.964 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720873530 712873196 /nfs/dbraw/zinc/87/31/96/712873196.db2.gz QNLUBGZUGDVYCV-CRWXNKLISA-N 2 1 238.375 1.615 20 0 BDADMP N=C(Nc1cccn2c[nH+]cc12)SCC[NH3+] ZINC001167912455 956877898 /nfs/dbraw/zinc/87/78/98/956877898.db2.gz OGWGWZCYLFIXPL-UHFFFAOYSA-N 2 1 235.316 1.373 20 0 BDADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cccc(N)[nH+]1 ZINC001164641573 719173589 /nfs/dbraw/zinc/17/35/89/719173589.db2.gz XHXLGYJWJLPQSX-UWVGGRQHSA-N 2 1 220.320 1.193 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cccc(N)[nH+]1 ZINC001164641573 719173603 /nfs/dbraw/zinc/17/36/03/719173603.db2.gz XHXLGYJWJLPQSX-UWVGGRQHSA-N 2 1 220.320 1.193 20 0 BDADMP Cc1cnc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C[NH3+])c1 ZINC001164633412 719224810 /nfs/dbraw/zinc/22/48/10/719224810.db2.gz DLRKJXDEKNQHQC-NEPJUHHUSA-N 2 1 248.374 1.378 20 0 BDADMP Cc1cc(C)[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC001164668561 719371606 /nfs/dbraw/zinc/37/16/06/719371606.db2.gz OLQPVDWUAKGUPD-QWHCGFSZSA-N 2 1 247.342 1.218 20 0 BDADMP Cc1cc(C)[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC001164668561 719371610 /nfs/dbraw/zinc/37/16/10/719371610.db2.gz OLQPVDWUAKGUPD-QWHCGFSZSA-N 2 1 247.342 1.218 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2OC)C1 ZINC000692998895 957413552 /nfs/dbraw/zinc/41/35/52/957413552.db2.gz QCMFCTOMDORRBP-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CSCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399252677 958582693 /nfs/dbraw/zinc/58/26/93/958582693.db2.gz YCTQMCSBDBJQID-VHSXEESVSA-N 2 1 202.367 1.470 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693581588 958870624 /nfs/dbraw/zinc/87/06/24/958870624.db2.gz XWLHVZNHNXEUIX-WISYIIOYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)[C@@H]1CC[NH3+] ZINC000404412733 959249789 /nfs/dbraw/zinc/24/97/89/959249789.db2.gz DTONKUZPQQVSSN-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC000724781530 959488055 /nfs/dbraw/zinc/48/80/55/959488055.db2.gz VTQRUBYKQOJKRS-KCJUWKMLSA-N 2 1 222.336 1.196 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000309466266 959880927 /nfs/dbraw/zinc/88/09/27/959880927.db2.gz SVIJCPRKPLLYOO-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001207480239 960385364 /nfs/dbraw/zinc/38/53/64/960385364.db2.gz XURINAZDIMDNCA-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167903064 961689371 /nfs/dbraw/zinc/68/93/71/961689371.db2.gz SBVGXQZAVJZNHI-WRWGMCAJSA-N 2 1 240.347 1.045 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CF)C2)CC[NH2+]1 ZINC000711468334 962718387 /nfs/dbraw/zinc/71/83/87/962718387.db2.gz WQPWNOWGMPMLDQ-UTUOFQBUSA-N 2 1 214.328 1.808 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cnsc2)C1 ZINC000712901565 963004224 /nfs/dbraw/zinc/00/42/24/963004224.db2.gz SKNUJHYAZBSLRT-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cnsc2)C1 ZINC000712901565 963004237 /nfs/dbraw/zinc/00/42/37/963004237.db2.gz SKNUJHYAZBSLRT-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981712 963064380 /nfs/dbraw/zinc/06/43/80/963064380.db2.gz GJQZYUPBDOTIAW-FUNVUKJBSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315020 964426348 /nfs/dbraw/zinc/42/63/48/964426348.db2.gz OYGSEPPLVPWZFC-IKWCTNDRSA-N 2 1 226.364 1.314 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC001168315234 964427738 /nfs/dbraw/zinc/42/77/38/964427738.db2.gz SKRKYBXVXYIMAM-BPCQOVAHSA-N 2 1 226.364 1.316 20 0 BDADMP CN1CC[C@@H]([N@@H+](C)C2CCC([NH+](C)C)CC2)C1 ZINC001168323813 964449938 /nfs/dbraw/zinc/44/99/38/964449938.db2.gz CVWXRJAKKURKOA-JXQTWKCFSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@H](C[NH+](C)C)Nc1ccc2[nH]c[nH+]c2c1 ZINC001163782744 965586155 /nfs/dbraw/zinc/58/61/55/965586155.db2.gz PUYLPYUAYQHSKV-SECBINFHSA-N 2 1 218.304 1.925 20 0 BDADMP CC(C)N(CCC[NH3+])c1ccc(N)[nH+]c1 ZINC001164122583 965744864 /nfs/dbraw/zinc/74/48/64/965744864.db2.gz JNICYLJCAIKJHI-UHFFFAOYSA-N 2 1 208.309 1.227 20 0 BDADMP Cc1ccsc1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206711125 966192606 /nfs/dbraw/zinc/19/26/06/966192606.db2.gz FOIVLJRDBUKZAA-UHFFFAOYSA-N 2 1 210.346 1.837 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](CCCc2cccnc2)C1 ZINC001204764306 967155456 /nfs/dbraw/zinc/15/54/56/967155456.db2.gz VREQIXNAROVZHL-ZDUSSCGKSA-N 2 1 219.332 1.437 20 0 BDADMP CS[C@@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171332 967409545 /nfs/dbraw/zinc/40/95/45/967409545.db2.gz NDZSBHUKOOMKML-IVZWLZJFSA-N 2 1 202.367 1.550 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171332 967409553 /nfs/dbraw/zinc/40/95/53/967409553.db2.gz NDZSBHUKOOMKML-IVZWLZJFSA-N 2 1 202.367 1.550 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981758 967921596 /nfs/dbraw/zinc/92/15/96/967921596.db2.gz GSROHKQVZDAJFK-UTUOFQBUSA-N 2 1 213.369 1.031 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981758 967921616 /nfs/dbraw/zinc/92/16/16/967921616.db2.gz GSROHKQVZDAJFK-UTUOFQBUSA-N 2 1 213.369 1.031 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC001206607258 968414632 /nfs/dbraw/zinc/41/46/32/968414632.db2.gz YRUCPCFPFTYVLN-OLZOCXBDSA-N 2 1 224.348 1.740 20 0 BDADMP C[N@H+]1CCC[C@H](OCC[NH+]2CCCCC2)CC1 ZINC001206701340 968438357 /nfs/dbraw/zinc/43/83/57/968438357.db2.gz WEVBOPTZPGFOFS-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP CCCC[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252101077 968583029 /nfs/dbraw/zinc/58/30/29/968583029.db2.gz ZXFSGYPMIRBRHX-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CCCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001252113368 968600306 /nfs/dbraw/zinc/60/03/06/968600306.db2.gz YPWFWTUZZZVAHP-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCOCC1 ZINC001207392041 968748270 /nfs/dbraw/zinc/74/82/70/968748270.db2.gz UYHQVKVDHYPLEY-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2CF)CC1 ZINC001207401668 968753058 /nfs/dbraw/zinc/75/30/58/968753058.db2.gz HIQDMXUKOFICLJ-GFCCVEGCSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001207480008 968796602 /nfs/dbraw/zinc/79/66/02/968796602.db2.gz SORNXGWAHDRRAD-ZDUSSCGKSA-N 2 1 244.354 1.125 20 0 BDADMP CC[N@@H+](CC(C)(C)O)CC1(C)CC[NH+](C)CC1 ZINC001208108602 969004273 /nfs/dbraw/zinc/00/42/73/969004273.db2.gz FXOVFNRJKQDBHK-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113269 969007936 /nfs/dbraw/zinc/00/79/36/969007936.db2.gz FZDITONHESXWLT-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1C=CCCC1 ZINC001253211832 969110296 /nfs/dbraw/zinc/11/02/96/969110296.db2.gz KUUYYMHIONSIBB-OLZOCXBDSA-N 2 1 226.364 1.387 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CCCOCC2)CCCC1 ZINC001208182029 969113099 /nfs/dbraw/zinc/11/30/99/969113099.db2.gz KZWHYSMMQARSMQ-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1C=CCCC1 ZINC001253211837 969113495 /nfs/dbraw/zinc/11/34/95/969113495.db2.gz KUUYYMHIONSIBB-STQMWFEESA-N 2 1 226.364 1.387 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)CC[C@H]1O ZINC001208609154 969162132 /nfs/dbraw/zinc/16/21/32/969162132.db2.gz YPAQAQFEDLWGQK-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC[C@H]1O ZINC001208609154 969162146 /nfs/dbraw/zinc/16/21/46/969162146.db2.gz YPAQAQFEDLWGQK-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC[C@H]1O ZINC001208609154 969162157 /nfs/dbraw/zinc/16/21/57/969162157.db2.gz YPAQAQFEDLWGQK-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C(C)C ZINC001208610062 969173166 /nfs/dbraw/zinc/17/31/66/969173166.db2.gz YFLYYTJZCNVQMO-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C(C)C ZINC001208610062 969173172 /nfs/dbraw/zinc/17/31/72/969173172.db2.gz YFLYYTJZCNVQMO-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC001208610062 969173179 /nfs/dbraw/zinc/17/31/79/969173179.db2.gz YFLYYTJZCNVQMO-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC001208610062 969173185 /nfs/dbraw/zinc/17/31/85/969173185.db2.gz YFLYYTJZCNVQMO-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP CC(C)CCC[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001208737111 969228587 /nfs/dbraw/zinc/22/85/87/969228587.db2.gz HJESKAZGYZWVAU-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001169244703 969529923 /nfs/dbraw/zinc/52/99/23/969529923.db2.gz RULVZAUGDJMNMA-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]CC2CC(=O)C2)CC1 ZINC001254502162 969650760 /nfs/dbraw/zinc/65/07/60/969650760.db2.gz BZIHEBIMJZCLHW-NSHDSACASA-N 2 1 210.321 1.039 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CC2CC(=O)C2)CC1 ZINC001254502162 969650774 /nfs/dbraw/zinc/65/07/74/969650774.db2.gz BZIHEBIMJZCLHW-NSHDSACASA-N 2 1 210.321 1.039 20 0 BDADMP CCOC(=O)[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254507483 969681019 /nfs/dbraw/zinc/68/10/19/969681019.db2.gz BZYUPYXCRIVGBS-NWDGAFQWSA-N 2 1 242.363 1.260 20 0 BDADMP CO[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515764 969688542 /nfs/dbraw/zinc/68/85/42/969688542.db2.gz CMVSBJUPGULHHZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254515764 969688547 /nfs/dbraw/zinc/68/85/47/969688547.db2.gz CMVSBJUPGULHHZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515764 969688551 /nfs/dbraw/zinc/68/85/51/969688551.db2.gz CMVSBJUPGULHHZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)[C@@H]1CO ZINC001254517082 969702588 /nfs/dbraw/zinc/70/25/88/969702588.db2.gz RYUDNEYOYNCOIN-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)[C@@H]1CO ZINC001254517082 969702597 /nfs/dbraw/zinc/70/25/97/969702597.db2.gz RYUDNEYOYNCOIN-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)[C@@H]1CO ZINC001254517082 969702606 /nfs/dbraw/zinc/70/26/06/969702606.db2.gz RYUDNEYOYNCOIN-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCO1 ZINC001254529225 969732960 /nfs/dbraw/zinc/73/29/60/969732960.db2.gz LHMYHSPUPVYZSU-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCO1 ZINC001254529225 969732972 /nfs/dbraw/zinc/73/29/72/969732972.db2.gz LHMYHSPUPVYZSU-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001254529225 969732983 /nfs/dbraw/zinc/73/29/83/969732983.db2.gz LHMYHSPUPVYZSU-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1cc[nH+]c(C)c1-n1ccc(C[NH3+])c1 ZINC001169725320 969818464 /nfs/dbraw/zinc/81/84/64/969818464.db2.gz FNWGQEJRYAQRON-UHFFFAOYSA-N 2 1 201.273 1.948 20 0 BDADMP CN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255412729 970129841 /nfs/dbraw/zinc/12/98/41/970129841.db2.gz UWOYQEBTQXKMEQ-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)CCC(C)(C)N[C@H]1CC[N@@H+](C)C1 ZINC001255419217 970140450 /nfs/dbraw/zinc/14/04/50/970140450.db2.gz ZWROSTLBYZLBOF-NSHDSACASA-N 2 1 213.369 1.010 20 0 BDADMP CN1CC[C@H]([NH2+]C(C)(C)CC[NH+](C)C)C1 ZINC001255419217 970140457 /nfs/dbraw/zinc/14/04/57/970140457.db2.gz ZWROSTLBYZLBOF-NSHDSACASA-N 2 1 213.369 1.010 20 0 BDADMP C[C@H]1C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662717 970442142 /nfs/dbraw/zinc/44/21/42/970442142.db2.gz RGHTWCDQEWJELE-OFIBSPLFSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@H]1C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662717 970442155 /nfs/dbraw/zinc/44/21/55/970442155.db2.gz RGHTWCDQEWJELE-OFIBSPLFSA-N 2 1 208.349 2.000 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@](C)(O)C1 ZINC001255955559 970582087 /nfs/dbraw/zinc/58/20/87/970582087.db2.gz BSBVIUAGJMYAGG-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@H](C)N[C@@H]1CC[N@@H+](CC)C1 ZINC001255952635 970589089 /nfs/dbraw/zinc/58/90/89/970589089.db2.gz GDVIXGVZKPBCLI-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@@H](C)CC[NH+](CC)CC)C1 ZINC001255952635 970589093 /nfs/dbraw/zinc/58/90/93/970589093.db2.gz GDVIXGVZKPBCLI-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@](C)(CO)C1 ZINC001255956508 970594715 /nfs/dbraw/zinc/59/47/15/970594715.db2.gz KUSNERYUAWSEKL-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1CO ZINC001255956992 970597124 /nfs/dbraw/zinc/59/71/24/970597124.db2.gz NVHRUZJTNGUCAK-IHRRRGAJSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001256360676 970760871 /nfs/dbraw/zinc/76/08/71/970760871.db2.gz KLPOGQFOQBRCCQ-CYBMUJFWSA-N 2 1 230.396 1.715 20 0 BDADMP CC[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001173275058 975157736 /nfs/dbraw/zinc/15/77/36/975157736.db2.gz LHACSQGTQWETAJ-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP CC[N@H+]1CC[C@H](n2cccc2CC[NH3+])C1 ZINC001173357208 975317002 /nfs/dbraw/zinc/31/70/02/975317002.db2.gz IVDFTXIVBYYLDW-LBPRGKRZSA-N 2 1 207.321 1.256 20 0 BDADMP CCN(CC[NH+](CC)CC)[C@H]1CC[N@@H+](CC)C1 ZINC001173365508 975346528 /nfs/dbraw/zinc/34/65/28/975346528.db2.gz JWLUWWNRGGCQJU-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC001333040149 975383139 /nfs/dbraw/zinc/38/31/39/975383139.db2.gz KDVMSSSERKTRTB-LLVKDONJSA-N 2 1 238.379 1.385 20 0 BDADMP CC[N@@H+]1CC[C@@H](NCC[NH+]2CCC(C)CC2)C1 ZINC000328357734 978306077 /nfs/dbraw/zinc/30/60/77/978306077.db2.gz PHMXLTNFGHTLOZ-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCC(C)CC2)C1 ZINC000328357734 978306090 /nfs/dbraw/zinc/30/60/90/978306090.db2.gz PHMXLTNFGHTLOZ-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000069863058 978765029 /nfs/dbraw/zinc/76/50/29/978765029.db2.gz RGZUYSPEHSGQBW-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP CCc1[nH]c(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(C)[nH+]1 ZINC001206404520 978785737 /nfs/dbraw/zinc/78/57/37/978785737.db2.gz LTPRPEUXQKRICT-NXEZZACHSA-N 2 1 240.326 1.152 20 0 BDADMP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001235713477 979129497 /nfs/dbraw/zinc/12/94/97/979129497.db2.gz FHXKMFMKAAXUSY-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2cc(F)ccc2C1 ZINC001236093218 979385767 /nfs/dbraw/zinc/38/57/67/979385767.db2.gz HUXIBJTUBKRLKM-UHFFFAOYSA-N 2 1 222.307 1.923 20 0 BDADMP OCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236369642 979570595 /nfs/dbraw/zinc/57/05/95/979570595.db2.gz BDHMIJASZRGEQZ-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP CC(C)C[N@@H+](CCCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550279 979632800 /nfs/dbraw/zinc/63/28/00/979632800.db2.gz KMOZYTPGWJTYBJ-HDJSIYSDSA-N 2 1 242.407 1.987 20 0 BDADMP CC[C@H](N)C[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001236858297 979767187 /nfs/dbraw/zinc/76/71/87/979767187.db2.gz AVVGOZWNSMKXRD-ZDUSSCGKSA-N 2 1 227.396 1.387 20 0 BDADMP CC[C@H]([NH3+])CN(C)CC1CC[NH+](CC)CC1 ZINC001236858297 979767194 /nfs/dbraw/zinc/76/71/94/979767194.db2.gz AVVGOZWNSMKXRD-ZDUSSCGKSA-N 2 1 227.396 1.387 20 0 BDADMP [NH3+]CCCC[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001237219759 979851499 /nfs/dbraw/zinc/85/14/99/979851499.db2.gz OCWYORKFBMRAEM-LBPRGKRZSA-N 2 1 209.337 1.067 20 0 BDADMP Cc1[nH]c(CN2C[C@H](C)CC[C@H]2C[NH3+])c(C)[nH+]1 ZINC001205840864 982736483 /nfs/dbraw/zinc/73/64/83/982736483.db2.gz IJANXMCHCXYHHX-SKDRFNHKSA-N 2 1 236.363 1.586 20 0 BDADMP CCC[C@@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001200356931 982872916 /nfs/dbraw/zinc/87/29/16/982872916.db2.gz XWQVDQAAQYNNQW-GFCCVEGCSA-N 2 1 237.347 1.398 20 0 BDADMP CC[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201509006 983270767 /nfs/dbraw/zinc/27/07/67/983270767.db2.gz LKVKDKYSORWZCL-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001201509006 983270776 /nfs/dbraw/zinc/27/07/76/983270776.db2.gz LKVKDKYSORWZCL-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001201509006 983270787 /nfs/dbraw/zinc/27/07/87/983270787.db2.gz LKVKDKYSORWZCL-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201509006 983270759 /nfs/dbraw/zinc/27/07/59/983270759.db2.gz LKVKDKYSORWZCL-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC001573506888 984033544 /nfs/dbraw/zinc/03/35/44/984033544.db2.gz VAIIWSHPKPHTFG-MELADBBJSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172463434 974827225 /nfs/dbraw/zinc/82/72/25/974827225.db2.gz OKHBQCGKHPTSNM-OLZOCXBDSA-N 2 1 230.396 1.964 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172463435 974828599 /nfs/dbraw/zinc/82/85/99/974828599.db2.gz OKHBQCGKHPTSNM-QWHCGFSZSA-N 2 1 230.396 1.964 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(O)C2)CC[NH2+]1 ZINC001246548269 972681530 /nfs/dbraw/zinc/68/15/30/972681530.db2.gz JYPVBDCPYCPAND-FRRDWIJNSA-N 2 1 226.364 1.364 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCC(F)(F)CC1)C2 ZINC001246871546 973247232 /nfs/dbraw/zinc/24/72/32/973247232.db2.gz QKYQHSYQQPEIEA-WPRPVWTQSA-N 2 1 216.275 1.597 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](C1CCC(F)(F)CC1)C2 ZINC001246871546 973247246 /nfs/dbraw/zinc/24/72/46/973247246.db2.gz QKYQHSYQQPEIEA-WPRPVWTQSA-N 2 1 216.275 1.597 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@@H+]1CCC[C@H]1CN ZINC001256399283 970806576 /nfs/dbraw/zinc/80/65/76/970806576.db2.gz KBFINRKUZDSJIY-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@H+]1CCC[C@H]1CN ZINC001256399283 970806579 /nfs/dbraw/zinc/80/65/79/970806579.db2.gz KBFINRKUZDSJIY-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@@H]1O ZINC001256569346 970866121 /nfs/dbraw/zinc/86/61/21/970866121.db2.gz BKVQFWSOQJGAHU-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C([C@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000403442255 970945383 /nfs/dbraw/zinc/94/53/83/970945383.db2.gz CZTJHAFQANYKTE-ZSLBOAEBSA-N 2 1 220.360 1.716 20 0 BDADMP [NH3+][C@H]1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256898486 971011425 /nfs/dbraw/zinc/01/14/25/971011425.db2.gz MCZQVZNGPUCOCR-JSGCOSHPSA-N 2 1 237.391 1.426 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907731 971018622 /nfs/dbraw/zinc/01/86/22/971018622.db2.gz HOHZDSBXEDTZGO-CHWSQXEVSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907731 971018640 /nfs/dbraw/zinc/01/86/40/971018640.db2.gz HOHZDSBXEDTZGO-CHWSQXEVSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC001257088306 971101984 /nfs/dbraw/zinc/10/19/84/971101984.db2.gz YQFXPKPHNPZCIN-CLLJXQQHSA-N 2 1 228.380 1.826 20 0 BDADMP CCC1([NH2+]C2CCN(C(C)C)CC2)COC1 ZINC001257205237 971123827 /nfs/dbraw/zinc/12/38/27/971123827.db2.gz IJHJZUJQXYDTQH-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)N1CCC([N@H+]2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001257217825 971134850 /nfs/dbraw/zinc/13/48/50/971134850.db2.gz PDEJDPZZVKOPIZ-GXTWGEPZSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001257217825 971134857 /nfs/dbraw/zinc/13/48/57/971134857.db2.gz PDEJDPZZVKOPIZ-GXTWGEPZSA-N 2 1 240.391 1.704 20 0 BDADMP CCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001257247062 971137368 /nfs/dbraw/zinc/13/73/68/971137368.db2.gz PCNKNDXLVKZLCN-RYUDHWBXSA-N 2 1 244.379 1.825 20 0 BDADMP CCC[C@H](CC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001257250227 971143399 /nfs/dbraw/zinc/14/33/99/971143399.db2.gz KMIDZQQDTNLZAT-KBPBESRZSA-N 2 1 239.407 1.578 20 0 BDADMP CCc1ccc(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]c1 ZINC001170570786 971215004 /nfs/dbraw/zinc/21/50/04/971215004.db2.gz LBWSZUKMWIZDAP-ZYHUDNBSSA-N 2 1 235.331 1.433 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405227127 971215384 /nfs/dbraw/zinc/21/53/84/971215384.db2.gz PAWKPZQQGNGIBX-FRRDWIJNSA-N 2 1 237.391 1.188 20 0 BDADMP Cc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000405253901 971222173 /nfs/dbraw/zinc/22/21/73/971222173.db2.gz LFKABFIJVCEGAC-OLZOCXBDSA-N 2 1 231.343 1.750 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405294283 971233385 /nfs/dbraw/zinc/23/33/85/971233385.db2.gz ZYLVHEBKLKVNJR-XQQFMLRXSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000405371978 971248540 /nfs/dbraw/zinc/24/85/40/971248540.db2.gz ZISCAPMFNHURIQ-YUTCNCBUSA-N 2 1 249.402 1.330 20 0 BDADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000405371974 971250758 /nfs/dbraw/zinc/25/07/58/971250758.db2.gz ZISCAPMFNHURIQ-MRVWCRGKSA-N 2 1 249.402 1.330 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)C2CCCC2)CC1 ZINC001257345782 971256637 /nfs/dbraw/zinc/25/66/37/971256637.db2.gz MSIKPARMQVPILW-AULYBMBSSA-N 2 1 238.375 1.900 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)C12CCC2 ZINC000405532328 971265146 /nfs/dbraw/zinc/26/51/46/971265146.db2.gz YNCXRCPTJQHPBG-RDBSUJKOSA-N 2 1 246.354 1.580 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000405534848 971270122 /nfs/dbraw/zinc/27/01/22/971270122.db2.gz AVJHEEIVDWFBNR-VOAKCMCISA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO[C@H]1C ZINC000405701117 971296833 /nfs/dbraw/zinc/29/68/33/971296833.db2.gz YXSWYZAUQLIEOJ-MJVIPROJSA-N 2 1 238.375 1.626 20 0 BDADMP CCCCCCc1nnc([C@@H]([NH3+])CCC[NH3+])o1 ZINC001217694840 971330237 /nfs/dbraw/zinc/33/02/37/971330237.db2.gz FJHOGPVOKIIYOS-JTQLQIEISA-N 2 1 240.351 1.931 20 0 BDADMP CC(C)(C)Cc1nnc([C@H]([NH3+])CCCC[NH3+])o1 ZINC001217698812 971336661 /nfs/dbraw/zinc/33/66/61/971336661.db2.gz HPRCLUGUECJGBR-SECBINFHSA-N 2 1 240.351 1.787 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCCCC1 ZINC001257449508 971368009 /nfs/dbraw/zinc/36/80/09/971368009.db2.gz FGXFJPHYODCPSQ-GFCCVEGCSA-N 2 1 242.363 1.579 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@@H]1CCC[NH2+]C1)C2 ZINC001217821249 971418888 /nfs/dbraw/zinc/41/88/88/971418888.db2.gz GOPQLDJDOUUETK-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1CCC[C@@H](OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217832313 971425521 /nfs/dbraw/zinc/42/55/21/971425521.db2.gz NYUGRSFTLOCVEU-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCSC1 ZINC001257668403 971471039 /nfs/dbraw/zinc/47/10/39/971471039.db2.gz QSDXATPASFIIKL-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257673995 971478005 /nfs/dbraw/zinc/47/80/05/971478005.db2.gz PYWXCLASQPTWMP-AGIUHOORSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257673995 971478009 /nfs/dbraw/zinc/47/80/09/971478009.db2.gz PYWXCLASQPTWMP-AGIUHOORSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257673995 971478015 /nfs/dbraw/zinc/47/80/15/971478015.db2.gz PYWXCLASQPTWMP-AGIUHOORSA-N 2 1 240.416 1.766 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)CC[C@@H]1F ZINC001206153689 974224997 /nfs/dbraw/zinc/22/49/97/974224997.db2.gz DRXWTROQUSWGNT-SDDRHHMPSA-N 2 1 228.311 1.440 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCC=CO2)CC[C@@H]1F ZINC001206153689 974225012 /nfs/dbraw/zinc/22/50/12/974225012.db2.gz DRXWTROQUSWGNT-SDDRHHMPSA-N 2 1 228.311 1.440 20 0 BDADMP CCC1(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)COC1 ZINC001206154565 974328034 /nfs/dbraw/zinc/32/80/34/974328034.db2.gz KBCHJYYLFCSKTC-QWRGUYRKSA-N 2 1 230.327 1.174 20 0 BDADMP CCC1(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)COC1 ZINC001206154565 974328041 /nfs/dbraw/zinc/32/80/41/974328041.db2.gz KBCHJYYLFCSKTC-QWRGUYRKSA-N 2 1 230.327 1.174 20 0 BDADMP N[C@@H]1CC[N@@H+](CC2CCSCC2)CC[C@@H]1F ZINC001206156806 974332410 /nfs/dbraw/zinc/33/24/10/974332410.db2.gz SZVRPGOXKPZJAV-NWDGAFQWSA-N 2 1 246.395 1.891 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCSCC2)CC[C@@H]1F ZINC001206156806 974332422 /nfs/dbraw/zinc/33/24/22/974332422.db2.gz SZVRPGOXKPZJAV-NWDGAFQWSA-N 2 1 246.395 1.891 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCSCC2)CC[C@@H]1F ZINC001206156806 974332435 /nfs/dbraw/zinc/33/24/35/974332435.db2.gz SZVRPGOXKPZJAV-NWDGAFQWSA-N 2 1 246.395 1.891 20 0 BDADMP CCOCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099311 974340643 /nfs/dbraw/zinc/34/06/43/974340643.db2.gz HEAKSWQCPBISLZ-CLLJXQQHSA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+]CC1(F)CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001222526516 972540840 /nfs/dbraw/zinc/54/08/40/972540840.db2.gz CLTQUCVEBLIJPQ-LBPRGKRZSA-N 3 1 243.370 1.281 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCCOCC2)CC1 ZINC001170828198 971937980 /nfs/dbraw/zinc/93/79/80/971937980.db2.gz WHXNNBULDWZOQT-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCCOCC2)CC1 ZINC001170828198 971937990 /nfs/dbraw/zinc/93/79/90/971937990.db2.gz WHXNNBULDWZOQT-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)CCO1 ZINC000310244338 971962235 /nfs/dbraw/zinc/96/22/35/971962235.db2.gz UKIFMLRUTCFIAW-OLZOCXBDSA-N 2 1 237.347 1.739 20 0 BDADMP COc1c[nH+]c(NCC[C@@H](C)[NH3+])cc1C ZINC001170890288 972040138 /nfs/dbraw/zinc/04/01/38/972040138.db2.gz VVHOUIYEWPQQIX-SECBINFHSA-N 2 1 209.293 1.548 20 0 BDADMP Nc1cc[nH+]c2cc(N[C@@H](N)CCC[NH3+])ccc12 ZINC001170900394 972066321 /nfs/dbraw/zinc/06/63/21/972066321.db2.gz KWPRDPXSNPTZJM-CYBMUJFWSA-N 2 1 245.330 1.253 20 0 BDADMP CN(C)/C=C/c1ccncc1N[C@H]([NH3+])CCC[NH3+] ZINC001170904266 972077484 /nfs/dbraw/zinc/07/74/84/972077484.db2.gz MSDYJQIPKKCZRI-PPGNKHEKSA-N 2 1 249.362 1.050 20 0 BDADMP CN(C)/C=C/c1ccncc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170904267 972079034 /nfs/dbraw/zinc/07/90/34/972079034.db2.gz MSDYJQIPKKCZRI-YSKGHYERSA-N 2 1 249.362 1.050 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246031538 972122097 /nfs/dbraw/zinc/12/20/97/972122097.db2.gz QWSZTPBRLQGQTR-STQMWFEESA-N 2 1 226.364 1.365 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CC3CCN(CC3)C2)CCCC1 ZINC001246086023 972138617 /nfs/dbraw/zinc/13/86/17/972138617.db2.gz VCHACHLXJPFANF-ZDUSSCGKSA-N 2 1 237.391 1.332 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246090329 972142105 /nfs/dbraw/zinc/14/21/05/972142105.db2.gz WHSSQZNXHROGPA-SYQHCUMBSA-N 3 1 239.407 1.623 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246097530 972149069 /nfs/dbraw/zinc/14/90/69/972149069.db2.gz ORNCNGANRGCPNX-LSGALXMHSA-N 3 1 235.375 1.023 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCOC2)[NH2+]C1 ZINC001246106559 972168968 /nfs/dbraw/zinc/16/89/68/972168968.db2.gz DKSNAJXWGQZOTN-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114476 972180416 /nfs/dbraw/zinc/18/04/16/972180416.db2.gz WQOOWWMCIZZXSF-XQHKEYJVSA-N 3 1 225.380 1.105 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]CCC(C)C ZINC000192950217 972187799 /nfs/dbraw/zinc/18/77/99/972187799.db2.gz YBHKFKPOUSODCK-UHFFFAOYSA-N 2 1 216.369 1.590 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@H]1CCC[NH2+]C1 ZINC001246160196 972200609 /nfs/dbraw/zinc/20/06/09/972200609.db2.gz CROWOYLRGICRSX-ZDUSSCGKSA-N 2 1 227.396 1.450 20 0 BDADMP C[C@H]1CC([NH2+]C[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246216992 972219048 /nfs/dbraw/zinc/21/90/48/972219048.db2.gz UNADWJIHOKRRKP-SRVKXCTJSA-N 3 1 225.380 1.105 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208610183 957090287 /nfs/dbraw/zinc/09/02/87/957090287.db2.gz ZNSIPDBZRLWVFJ-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H](CCCC(C)(C)O)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246234216 972241153 /nfs/dbraw/zinc/24/11/53/972241153.db2.gz UOTKACCROBESMM-RYUDHWBXSA-N 2 1 228.380 1.658 20 0 BDADMP CCC1(N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC001246238918 972244759 /nfs/dbraw/zinc/24/47/59/972244759.db2.gz WYOWPOVWYAZJJJ-QWHCGFSZSA-N 2 1 237.391 1.250 20 0 BDADMP C1=CO[C@@H](C[NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001208888362 957205090 /nfs/dbraw/zinc/20/50/90/957205090.db2.gz WHICCYQYWFTCJM-CQSZACIVSA-N 2 1 236.359 1.849 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000396846567 957308226 /nfs/dbraw/zinc/30/82/26/957308226.db2.gz HFXUGKKAWDBNAZ-WOPDTQHZSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000396846567 957308239 /nfs/dbraw/zinc/30/82/39/957308239.db2.gz HFXUGKKAWDBNAZ-WOPDTQHZSA-N 2 1 226.364 1.484 20 0 BDADMP CCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246310624 972271365 /nfs/dbraw/zinc/27/13/65/972271365.db2.gz UNPLUEDEJRBTJE-AVGNSLFASA-N 2 1 228.380 1.515 20 0 BDADMP C[C@H]1C[N@@H+](CCCC[NH3+])CCC[C@@]1(C)O ZINC001209846631 957542353 /nfs/dbraw/zinc/54/23/53/957542353.db2.gz VGBJDVPCTZDYEJ-NWDGAFQWSA-N 2 1 214.353 1.208 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086818840 957696341 /nfs/dbraw/zinc/69/63/41/957696341.db2.gz GHTMNBFHXWJNLD-ZDUSSCGKSA-N 2 1 239.407 1.545 20 0 BDADMP CC[C@@H](N)C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246318527 972286459 /nfs/dbraw/zinc/28/64/59/972286459.db2.gz RQMYYKRXVIOKRH-GFCCVEGCSA-N 2 1 239.407 1.626 20 0 BDADMP CCCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401551 972311438 /nfs/dbraw/zinc/31/14/38/972311438.db2.gz NBHHFXHLSNYUMN-NEPJUHHUSA-N 2 1 244.379 1.825 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2CCF)CC[NH2+]1 ZINC001246444734 972318980 /nfs/dbraw/zinc/31/89/80/972318980.db2.gz BFYKZXOCLGQJEH-MNOVXSKESA-N 2 1 240.326 1.083 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1(CC)CC ZINC000721456792 958167452 /nfs/dbraw/zinc/16/74/52/958167452.db2.gz OBKXQKKZCQXYJU-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1(CC)CC ZINC000721456792 958167461 /nfs/dbraw/zinc/16/74/61/958167461.db2.gz OBKXQKKZCQXYJU-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC1(CC)CC ZINC000721456792 958167467 /nfs/dbraw/zinc/16/74/67/958167467.db2.gz OBKXQKKZCQXYJU-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC1(CC)CC ZINC000721456792 958167473 /nfs/dbraw/zinc/16/74/73/958167473.db2.gz OBKXQKKZCQXYJU-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693352803 958251798 /nfs/dbraw/zinc/25/17/98/958251798.db2.gz ZQPHXBPICPELNX-ILWJIGKKSA-N 2 1 218.291 1.558 20 0 BDADMP CCc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000708874130 958292921 /nfs/dbraw/zinc/29/29/21/958292921.db2.gz DJRWHLUGFWAPIG-WDEREUQCSA-N 2 1 222.332 1.869 20 0 BDADMP C[C@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000308447608 958415039 /nfs/dbraw/zinc/41/50/39/958415039.db2.gz ADDLBCOBUVYLRJ-YIZRAAEISA-N 2 1 206.280 1.557 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000308447608 958415051 /nfs/dbraw/zinc/41/50/51/958415051.db2.gz ADDLBCOBUVYLRJ-YIZRAAEISA-N 2 1 206.280 1.557 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)C[NH2+]1 ZINC000398962409 958460128 /nfs/dbraw/zinc/46/01/28/958460128.db2.gz NXDZCYAVUYTQQW-WISYIIOYSA-N 2 1 212.337 1.020 20 0 BDADMP CCc1cc(N[C@@H]2CC[NH2+][C@@H]2C)nc(C)[nH+]1 ZINC000707527087 958566393 /nfs/dbraw/zinc/56/63/93/958566393.db2.gz KICBVUBTDPKTLX-LDYMZIIASA-N 2 1 220.320 1.510 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CC[NH2+]1 ZINC000707564113 958587869 /nfs/dbraw/zinc/58/78/69/958587869.db2.gz KIWREYDVEYAZHL-IJLUTSLNSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CC[C@@]1(C)O ZINC001207276451 958850233 /nfs/dbraw/zinc/85/02/33/958850233.db2.gz WWSPKQUPOVIIOX-GXTWGEPZSA-N 2 1 242.407 1.667 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000693567011 958860746 /nfs/dbraw/zinc/86/07/46/958860746.db2.gz FNYUPWZZQAPPEN-RVMXOQNASA-N 2 1 208.349 1.988 20 0 BDADMP Cc1csc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000690740263 958878031 /nfs/dbraw/zinc/87/80/31/958878031.db2.gz TWILOJUDGCKZHW-JTQLQIEISA-N 2 1 225.361 1.622 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000693585280 958889027 /nfs/dbraw/zinc/88/90/27/958889027.db2.gz LEYVNWCMDSOSHV-NNYUYHANSA-N 2 1 212.337 1.223 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000693591675 958902787 /nfs/dbraw/zinc/90/27/87/958902787.db2.gz IOWSDXGGTCKPST-VDISTLRHSA-N 2 1 216.328 1.782 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC[NH2+]CC1 ZINC000693604639 958973879 /nfs/dbraw/zinc/97/38/79/958973879.db2.gz PYSRVKDIVABRTC-YHPBZONMSA-N 2 1 244.329 1.962 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](CC)CO1 ZINC000404107024 959057605 /nfs/dbraw/zinc/05/76/05/959057605.db2.gz UOGSKHMQIPQOQP-ZOBORPQBSA-N 2 1 240.391 1.731 20 0 BDADMP C(C[N@@H+]1CC[C@@]12CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001222190489 972399549 /nfs/dbraw/zinc/39/95/49/972399549.db2.gz CHXIWPULZQXDOS-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@@]12CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001222190489 972399554 /nfs/dbraw/zinc/39/95/54/972399554.db2.gz CHXIWPULZQXDOS-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000690754304 959225749 /nfs/dbraw/zinc/22/57/49/959225749.db2.gz IUNFBCKPCNDEGI-MRVPVSSYSA-N 2 1 223.147 1.976 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232956 972416503 /nfs/dbraw/zinc/41/65/03/972416503.db2.gz ZYDNVNLAASDYAG-AAEUAGOBSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232956 972416524 /nfs/dbraw/zinc/41/65/24/972416524.db2.gz ZYDNVNLAASDYAG-AAEUAGOBSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400045581 959389425 /nfs/dbraw/zinc/38/94/25/959389425.db2.gz RWYBTRHPKPHLQX-UWVGGRQHSA-N 2 1 218.291 1.701 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400045581 959389444 /nfs/dbraw/zinc/38/94/44/959389444.db2.gz RWYBTRHPKPHLQX-UWVGGRQHSA-N 2 1 218.291 1.701 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000693846935 959427057 /nfs/dbraw/zinc/42/70/57/959427057.db2.gz BIPIDJDTMGMHAM-JSGCOSHPSA-N 2 1 246.358 1.346 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000693846935 959427069 /nfs/dbraw/zinc/42/70/69/959427069.db2.gz BIPIDJDTMGMHAM-JSGCOSHPSA-N 2 1 246.358 1.346 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265492 972432752 /nfs/dbraw/zinc/43/27/52/972432752.db2.gz UQPGYWWHRZXRJU-CQSZACIVSA-N 3 1 239.407 1.581 20 0 BDADMP [NH3+]CCC[C@@H]([NH3+])c1nnc(C2CCCC2)o1 ZINC001217696977 959554160 /nfs/dbraw/zinc/55/41/60/959554160.db2.gz UFGOAYBOFYMTII-SECBINFHSA-N 2 1 224.308 1.466 20 0 BDADMP c1nc2c(s1)C[C@@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC001246531017 972439207 /nfs/dbraw/zinc/43/92/07/972439207.db2.gz ZTVJTRNLHGJYDX-JTQLQIEISA-N 2 1 237.372 1.296 20 0 BDADMP c1nc2c(s1)C[C@@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC001246531017 972439209 /nfs/dbraw/zinc/43/92/09/972439209.db2.gz ZTVJTRNLHGJYDX-JTQLQIEISA-N 2 1 237.372 1.296 20 0 BDADMP N=c1cc(C[NH3+])ccn1-c1c[nH+]cc2cc[nH]c21 ZINC001167691086 959813261 /nfs/dbraw/zinc/81/32/61/959813261.db2.gz YAPZLRIDDFIPLE-UHFFFAOYSA-N 2 1 239.282 1.292 20 0 BDADMP C1=CC[C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)C[C@@H]2C1 ZINC000694533239 959907628 /nfs/dbraw/zinc/90/76/28/959907628.db2.gz LJQHHIQVCWYFCC-AKJUYKBHSA-N 2 1 218.344 1.636 20 0 BDADMP COC[C@@H](C[N@@H+](C)C1(C[NH3+])CCCCC1)OC ZINC000694659122 959952660 /nfs/dbraw/zinc/95/26/60/959952660.db2.gz GEUROTIRCLZNDC-GFCCVEGCSA-N 2 1 244.379 1.241 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000708874900 960006470 /nfs/dbraw/zinc/00/64/70/960006470.db2.gz MAWSNXYGYXJBAE-WCBMZHEXSA-N 2 1 209.293 1.010 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000708874900 960006475 /nfs/dbraw/zinc/00/64/75/960006475.db2.gz MAWSNXYGYXJBAE-WCBMZHEXSA-N 2 1 209.293 1.010 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nc1 ZINC000692495221 960033224 /nfs/dbraw/zinc/03/32/24/960033224.db2.gz WWDYLDBNQOCSHZ-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP C[C@H]1C[N@@H+](C2CCN(C3CC3)CC2)C[C@H]1C[NH3+] ZINC000708886990 960076651 /nfs/dbraw/zinc/07/66/51/960076651.db2.gz ATOBSJIEKUWZDQ-NWDGAFQWSA-N 2 1 237.391 1.140 20 0 BDADMP C[C@H]1C[N@H+](C2CCN(C3CC3)CC2)C[C@H]1C[NH3+] ZINC000708886990 960076662 /nfs/dbraw/zinc/07/66/62/960076662.db2.gz ATOBSJIEKUWZDQ-NWDGAFQWSA-N 2 1 237.391 1.140 20 0 BDADMP Cc1ccnc(C)c1NC(=[NH2+])SCC[NH3+] ZINC001167913471 960093992 /nfs/dbraw/zinc/09/39/92/960093992.db2.gz YPZGQNNMQWITCG-UHFFFAOYSA-N 2 1 224.333 1.737 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207439301 960096908 /nfs/dbraw/zinc/09/69/08/960096908.db2.gz NACGHKDXWVPGLI-STQMWFEESA-N 2 1 224.348 1.239 20 0 BDADMP O=c1[nH]ccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207441072 960115536 /nfs/dbraw/zinc/11/55/36/960115536.db2.gz PYEWCQZTFNLGFI-UHFFFAOYSA-N 2 1 247.342 1.145 20 0 BDADMP Cc1cncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000310181551 960173649 /nfs/dbraw/zinc/17/36/49/960173649.db2.gz XHSSSTZLXTVGJO-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925502797 960215283 /nfs/dbraw/zinc/21/52/83/960215283.db2.gz ISNFYEVSUOQQCV-UWVGGRQHSA-N 2 1 214.378 1.612 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)C1CCOCC1 ZINC001207479749 960356651 /nfs/dbraw/zinc/35/66/51/960356651.db2.gz MTSUHUVSJPZQDJ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC1(C)C[C@H](n2c[nH+]cc2CC[NH3+])CO1 ZINC000396665399 960389726 /nfs/dbraw/zinc/38/97/26/960389726.db2.gz QCFLPXXEEYIKQR-JTQLQIEISA-N 2 1 209.293 1.124 20 0 BDADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140707914 960520506 /nfs/dbraw/zinc/52/05/06/960520506.db2.gz IMNJEHIBYBXXET-KBPBESRZSA-N 2 1 233.359 1.788 20 0 BDADMP CC1(C[NH3+])C[NH+](Cc2cccc3c2CCC3)C1 ZINC001206745100 960549738 /nfs/dbraw/zinc/54/97/38/960549738.db2.gz POBSZVHCDSXBAA-UHFFFAOYSA-N 2 1 230.355 1.956 20 0 BDADMP O[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799754 960581759 /nfs/dbraw/zinc/58/17/59/960581759.db2.gz KWZQYNWGJGLXBR-SNVBAGLBSA-N 2 1 217.272 1.130 20 0 BDADMP O[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799754 960581768 /nfs/dbraw/zinc/58/17/68/960581768.db2.gz KWZQYNWGJGLXBR-SNVBAGLBSA-N 2 1 217.272 1.130 20 0 BDADMP c1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)co1 ZINC000692744497 960583846 /nfs/dbraw/zinc/58/38/46/960583846.db2.gz JPHWNJGHRQJJAE-MEBFFEOJSA-N 2 1 232.327 1.408 20 0 BDADMP O[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1F ZINC001140802266 960597650 /nfs/dbraw/zinc/59/76/50/960597650.db2.gz SOHRXFSNNYXXIN-YPMHNXCESA-N 2 1 249.289 1.468 20 0 BDADMP O[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1F ZINC001140802266 960597661 /nfs/dbraw/zinc/59/76/61/960597661.db2.gz SOHRXFSNNYXXIN-YPMHNXCESA-N 2 1 249.289 1.468 20 0 BDADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000709462394 960612554 /nfs/dbraw/zinc/61/25/54/960612554.db2.gz BIQTWVPNMAHRSM-FUNVUKJBSA-N 2 1 217.316 1.454 20 0 BDADMP CSCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000709482743 960622871 /nfs/dbraw/zinc/62/28/71/960622871.db2.gz MIEGQKFOQJBKHW-QWRGUYRKSA-N 2 1 216.394 1.669 20 0 BDADMP C[N@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709496062 960626846 /nfs/dbraw/zinc/62/68/46/960626846.db2.gz WZGARKBSEVNMSJ-ICIURTGMSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709496062 960626858 /nfs/dbraw/zinc/62/68/58/960626858.db2.gz WZGARKBSEVNMSJ-ICIURTGMSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709496062 960626865 /nfs/dbraw/zinc/62/68/65/960626865.db2.gz WZGARKBSEVNMSJ-ICIURTGMSA-N 3 1 237.391 1.201 20 0 BDADMP Cc1c[nH]c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1C ZINC001140862815 960644090 /nfs/dbraw/zinc/64/40/90/960644090.db2.gz NTQZSOGBZHHAEI-BETUJISGSA-N 2 1 233.359 1.625 20 0 BDADMP Cc1c[nH]c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1C ZINC001140862815 960644100 /nfs/dbraw/zinc/64/41/00/960644100.db2.gz NTQZSOGBZHHAEI-BETUJISGSA-N 2 1 233.359 1.625 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC001140862815 960644107 /nfs/dbraw/zinc/64/41/07/960644107.db2.gz NTQZSOGBZHHAEI-BETUJISGSA-N 2 1 233.359 1.625 20 0 BDADMP Cc1c[nH]c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC001140862815 960644118 /nfs/dbraw/zinc/64/41/18/960644118.db2.gz NTQZSOGBZHHAEI-BETUJISGSA-N 2 1 233.359 1.625 20 0 BDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ncco1)CC2 ZINC001141010113 960811599 /nfs/dbraw/zinc/81/15/99/960811599.db2.gz FBFCGSQFXMTIGE-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP Cc1[nH+]c(N)ccc1CNc1c[nH+]cn1C ZINC001167786899 960889698 /nfs/dbraw/zinc/88/96/98/960889698.db2.gz YGMKKUKUBHLNSI-UHFFFAOYSA-N 2 1 217.276 1.318 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2SCCS2)CC[N@H+]1C ZINC000692903988 961210493 /nfs/dbraw/zinc/21/04/93/961210493.db2.gz HKTWVIVLDSJLIG-NXEZZACHSA-N 2 1 246.445 1.865 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1(Cl)CC1 ZINC000925829719 961381449 /nfs/dbraw/zinc/38/14/49/961381449.db2.gz GAEAROILASBQIP-SNVBAGLBSA-N 2 1 246.782 1.193 20 0 BDADMP [NH3+]CCCC[NH+]1CCN([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923230 961979104 /nfs/dbraw/zinc/97/91/04/961979104.db2.gz BBMUECGNPOEFTA-WDNDVIMCSA-N 2 1 237.391 1.141 20 0 BDADMP CCCC[NH2+]CCC[N@@H+](C)CCOC ZINC000389292936 962186625 /nfs/dbraw/zinc/18/66/25/962186625.db2.gz DHOXHAJWJHAXGU-UHFFFAOYSA-N 2 1 202.342 1.344 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639627 962254020 /nfs/dbraw/zinc/25/40/20/962254020.db2.gz FYSMYXQSQZNNMZ-LLVKDONJSA-N 2 1 236.363 1.533 20 0 BDADMP CCc1n[nH]cc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206639627 962254035 /nfs/dbraw/zinc/25/40/35/962254035.db2.gz FYSMYXQSQZNNMZ-LLVKDONJSA-N 2 1 236.363 1.533 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3n2CCC3)C1 ZINC001206648686 962608882 /nfs/dbraw/zinc/60/88/82/962608882.db2.gz OKKICQKJFXAQKT-CYBMUJFWSA-N 2 1 247.386 1.995 20 0 BDADMP [NH3+]CCCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC001206648713 962612396 /nfs/dbraw/zinc/61/23/96/962612396.db2.gz ONJYZZLWUNTMDK-CQSZACIVSA-N 2 1 234.343 1.799 20 0 BDADMP Cc1nc(NC[C@@H]2C[C@H](F)C[NH2+]2)c(C)c(C)[nH+]1 ZINC001155039317 962945261 /nfs/dbraw/zinc/94/52/61/962945261.db2.gz FRQAINVGTGECMS-QWRGUYRKSA-N 2 1 238.310 1.514 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(N)[nH+]cn1 ZINC001155031141 962947014 /nfs/dbraw/zinc/94/70/14/962947014.db2.gz LLOOCMUDIDOENB-VHSXEESVSA-N 2 1 235.335 1.106 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(N)nc[nH+]1 ZINC001155031141 962947021 /nfs/dbraw/zinc/94/70/21/962947021.db2.gz LLOOCMUDIDOENB-VHSXEESVSA-N 2 1 235.335 1.106 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712769359 962975079 /nfs/dbraw/zinc/97/50/79/962975079.db2.gz STYXGGIGLULXPZ-NEPJUHHUSA-N 2 1 240.347 1.095 20 0 BDADMP CC(C)(C)C(=[NH2+])Nc1ncnc2c1CC[NH2+]C2 ZINC001155181745 963008275 /nfs/dbraw/zinc/00/82/75/963008275.db2.gz YVQGRISYDKXCKA-UHFFFAOYSA-N 2 1 233.319 1.558 20 0 BDADMP [NH3+][C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)CCC1(F)F ZINC001206656477 963122413 /nfs/dbraw/zinc/12/24/13/963122413.db2.gz LNVSHDMWDYNAMP-WDEREUQCSA-N 2 1 247.333 1.187 20 0 BDADMP CN(C)c1cc[nH+]c(N[C@H]2CC[N@@H+](C)C2)c1 ZINC001156580772 963392425 /nfs/dbraw/zinc/39/24/25/963392425.db2.gz QPPMJIXTGQMZNK-JTQLQIEISA-N 2 1 220.320 1.264 20 0 BDADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000696779263 963477815 /nfs/dbraw/zinc/47/78/15/963477815.db2.gz QNLWDIHYIAYIIJ-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)CCc1nccs1 ZINC000688696833 963480416 /nfs/dbraw/zinc/48/04/16/963480416.db2.gz BGXRYLPUEUADDA-UHFFFAOYSA-N 2 1 239.388 1.760 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CCc1nccs1 ZINC000688696833 963480423 /nfs/dbraw/zinc/48/04/23/963480423.db2.gz BGXRYLPUEUADDA-UHFFFAOYSA-N 2 1 239.388 1.760 20 0 BDADMP CCCc1cc(NCC[NH2+]C)nc(C)[nH+]1 ZINC001156893815 963487059 /nfs/dbraw/zinc/48/70/59/963487059.db2.gz WBLKITVREPOONL-UHFFFAOYSA-N 2 1 208.309 1.369 20 0 BDADMP CC1(Nc2[nH+]cccc2N)CC[NH2+]CC1 ZINC001157397676 963597146 /nfs/dbraw/zinc/59/71/46/963597146.db2.gz WQWLRDRBDCKAFB-UHFFFAOYSA-N 2 1 206.293 1.218 20 0 BDADMP CCN(c1cc(C[NH+](C)C)ccn1)C1C[NH+](C)C1 ZINC001157461167 963620090 /nfs/dbraw/zinc/62/00/90/963620090.db2.gz CYHFGSFLUFQVNA-UHFFFAOYSA-N 2 1 248.374 1.284 20 0 BDADMP COC(C)(C)C[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000697036388 963665728 /nfs/dbraw/zinc/66/57/28/963665728.db2.gz KWFXCBNFFZTYNK-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001482573183 963803961 /nfs/dbraw/zinc/80/39/61/963803961.db2.gz VJVAKBORUYBQOV-LBPRGKRZSA-N 2 1 243.395 1.077 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC001168139378 963842350 /nfs/dbraw/zinc/84/23/50/963842350.db2.gz SDWMYLZXZGZXJN-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC001168139378 963842353 /nfs/dbraw/zinc/84/23/53/963842353.db2.gz SDWMYLZXZGZXJN-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC001168139378 963842354 /nfs/dbraw/zinc/84/23/54/963842354.db2.gz SDWMYLZXZGZXJN-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP Cc1cc(C)[nH+]c(N2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001158424686 963869667 /nfs/dbraw/zinc/86/96/67/963869667.db2.gz HDXHHIIOYMDKIM-GFCCVEGCSA-N 2 1 217.316 1.593 20 0 BDADMP Cc1cc(C)[nH+]c(N2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001158424686 963869670 /nfs/dbraw/zinc/86/96/70/963869670.db2.gz HDXHHIIOYMDKIM-GFCCVEGCSA-N 2 1 217.316 1.593 20 0 BDADMP [NH2+]=C(NCC[NH+]1CCC1)Nc1ccccc1 ZINC000697388614 963902890 /nfs/dbraw/zinc/90/28/90/963902890.db2.gz VJMDFYPBCBNNMR-UHFFFAOYSA-N 2 1 218.304 1.329 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](CCF)C1 ZINC000689459048 963924808 /nfs/dbraw/zinc/92/48/08/963924808.db2.gz CDFVYNGPPGUULP-UPJWGTAASA-N 2 1 228.355 1.914 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H]1CN)C2 ZINC001168234664 964027681 /nfs/dbraw/zinc/02/76/81/964027681.db2.gz CKWSKXZZSYTEAV-KBPBESRZSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H]1C[NH3+])C2 ZINC001168234664 964027707 /nfs/dbraw/zinc/02/77/07/964027707.db2.gz CKWSKXZZSYTEAV-KBPBESRZSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H]1C[NH3+])C2 ZINC001168234664 964027725 /nfs/dbraw/zinc/02/77/25/964027725.db2.gz CKWSKXZZSYTEAV-KBPBESRZSA-N 2 1 246.354 1.586 20 0 BDADMP C[NH+](C)C1CCC([NH2+]Cc2ncccc2O)CC1 ZINC001168300185 964392485 /nfs/dbraw/zinc/39/24/85/964392485.db2.gz QFVQYKILBNCUGI-UHFFFAOYSA-N 2 1 249.358 1.750 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001168313731 964414142 /nfs/dbraw/zinc/41/41/42/964414142.db2.gz GNKDLUNELRYBFN-MPEURRAXSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC001168315723 964419545 /nfs/dbraw/zinc/41/95/45/964419545.db2.gz LXAHWJXVQKMEAT-VTXSZYRJSA-N 2 1 240.391 1.968 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ncccn2)CC1 ZINC001168315498 964425781 /nfs/dbraw/zinc/42/57/81/964425781.db2.gz WQEVFSNDUCJMDP-UHFFFAOYSA-N 2 1 248.374 1.781 20 0 BDADMP CC(=O)[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328428 964460285 /nfs/dbraw/zinc/46/02/85/964460285.db2.gz GARQGBIUECRLLI-HSBZDZAISA-N 2 1 238.375 1.770 20 0 BDADMP CCC[N@H+]1CC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000697746310 964514760 /nfs/dbraw/zinc/51/47/60/964514760.db2.gz DYJMUHKDYWVRTM-LBPRGKRZSA-N 2 1 238.379 1.047 20 0 BDADMP C[N@H+]1CCCC[C@H]1CO[C@H]1C[NH+]2CCC1CC2 ZINC001224700886 964887788 /nfs/dbraw/zinc/88/77/88/964887788.db2.gz BVPHTCKMTDXHIU-KBPBESRZSA-N 2 1 238.375 1.582 20 0 BDADMP CCC(=O)Nc1cc(-n2cnc(C[NH3+])c2)cc[nH+]1 ZINC001162304606 964918860 /nfs/dbraw/zinc/91/88/60/964918860.db2.gz OOEYIXNKYNEECU-UHFFFAOYSA-N 2 1 245.286 1.075 20 0 BDADMP Cn1ccc2c[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)nc21 ZINC001162390890 964953706 /nfs/dbraw/zinc/95/37/06/964953706.db2.gz JORPYKNUAGYVDH-QWRGUYRKSA-N 2 1 245.330 1.650 20 0 BDADMP CNc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC001162396835 964957315 /nfs/dbraw/zinc/95/73/15/964957315.db2.gz OJHCUKYSPZJZQE-UWVGGRQHSA-N 2 1 220.320 1.805 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]c2ccc3[nH]c(=O)cc-3[nH]2)C1 ZINC001162402720 964961724 /nfs/dbraw/zinc/96/17/24/964961724.db2.gz WBNPJUDCTITGBG-RKDXNWHRSA-N 2 1 246.314 1.258 20 0 BDADMP CC(=O)Nc1cc[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001162555089 965044068 /nfs/dbraw/zinc/04/40/68/965044068.db2.gz LVFGJBLTCPWNAO-MWLCHTKSSA-N 2 1 248.330 1.450 20 0 BDADMP CC[NH+](CC)CCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224921578 965090412 /nfs/dbraw/zinc/09/04/12/965090412.db2.gz AGTIGTQZMUELSS-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001162688496 965121014 /nfs/dbraw/zinc/12/10/14/965121014.db2.gz PTPYMEPGOYGLFX-SMDDNHRTSA-N 2 1 249.358 1.449 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001162688496 965121023 /nfs/dbraw/zinc/12/10/23/965121023.db2.gz PTPYMEPGOYGLFX-SMDDNHRTSA-N 2 1 249.358 1.449 20 0 BDADMP c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]cc1C1CC1 ZINC001163202566 965298687 /nfs/dbraw/zinc/29/86/87/965298687.db2.gz KGBQDXHIMQQOOP-TZMCWYRMSA-N 2 1 245.326 1.502 20 0 BDADMP C[N@@H+](CCc1cccnc1)CC1CC[NH2+]CC1 ZINC000094024855 965388310 /nfs/dbraw/zinc/38/83/10/965388310.db2.gz DQWNHEIRCSNVBH-UHFFFAOYSA-N 2 1 233.359 1.556 20 0 BDADMP Cc1[nH+]ccn1CCNc1ccccc1CC[NH3+] ZINC001163928879 965641564 /nfs/dbraw/zinc/64/15/64/965641564.db2.gz NNKPFNWJWUBOEW-UHFFFAOYSA-N 2 1 244.342 1.805 20 0 BDADMP COC(=O)CC[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094042253 965679271 /nfs/dbraw/zinc/67/92/71/965679271.db2.gz BAIZLCVECPNGIN-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205093506 965715883 /nfs/dbraw/zinc/71/58/83/965715883.db2.gz BEOMGEJTIFQPFO-LBPRGKRZSA-N 2 1 220.320 1.098 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205093506 965715894 /nfs/dbraw/zinc/71/58/94/965715894.db2.gz BEOMGEJTIFQPFO-LBPRGKRZSA-N 2 1 220.320 1.098 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093795 965718969 /nfs/dbraw/zinc/71/89/69/965718969.db2.gz GFUXGTFWPDVWJI-LLVKDONJSA-N 2 1 207.321 1.338 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC001205095034 965734203 /nfs/dbraw/zinc/73/42/03/965734203.db2.gz TXOGZHGBRWEZPU-GFCCVEGCSA-N 2 1 220.316 1.705 20 0 BDADMP C[NH+](C)C1(CNc2cccnc2)CC[NH+](C)CC1 ZINC001164211263 965797136 /nfs/dbraw/zinc/79/71/36/965797136.db2.gz NAAAPOPJKXTKAP-UHFFFAOYSA-N 2 1 248.374 1.520 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699260576 965825713 /nfs/dbraw/zinc/82/57/13/965825713.db2.gz NVNPMJGXKRNIPU-RLAWYHOSSA-N 2 1 238.375 1.485 20 0 BDADMP Cn1cc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000699259058 965825809 /nfs/dbraw/zinc/82/58/09/965825809.db2.gz ISLKAIATHYCHOJ-QXMXGUDHSA-N 2 1 248.374 1.383 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(O)cn2)CC1 ZINC001205109254 965831382 /nfs/dbraw/zinc/83/13/82/965831382.db2.gz CLNLTMAEIITPOD-SNVBAGLBSA-N 2 1 221.304 1.100 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(O)cn2)CC1 ZINC001205109254 965831390 /nfs/dbraw/zinc/83/13/90/965831390.db2.gz CLNLTMAEIITPOD-SNVBAGLBSA-N 2 1 221.304 1.100 20 0 BDADMP Cc1ncn(C)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116592 965864518 /nfs/dbraw/zinc/86/45/18/965864518.db2.gz DJMBTZQXJHRMNL-NSHDSACASA-N 2 1 222.336 1.042 20 0 BDADMP Cc1ncn(C)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116592 965864525 /nfs/dbraw/zinc/86/45/25/965864525.db2.gz DJMBTZQXJHRMNL-NSHDSACASA-N 2 1 222.336 1.042 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccn2C)C[C@H]1C[NH3+] ZINC001205131199 965938331 /nfs/dbraw/zinc/93/83/31/965938331.db2.gz TXWKIIWUSGYBGR-WDEREUQCSA-N 2 1 207.321 1.052 20 0 BDADMP Cc1ccc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)[nH+]c1C ZINC001165146839 965972427 /nfs/dbraw/zinc/97/24/27/965972427.db2.gz GBQDOSSXJVZNKF-STQMWFEESA-N 2 1 231.343 1.696 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)c1 ZINC001165146925 965972663 /nfs/dbraw/zinc/97/26/63/965972663.db2.gz GVCUBPOQDLHJJZ-BETUJISGSA-N 2 1 231.343 1.696 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)c1 ZINC001165146925 965972679 /nfs/dbraw/zinc/97/26/79/965972679.db2.gz GVCUBPOQDLHJJZ-BETUJISGSA-N 2 1 231.343 1.696 20 0 BDADMP C[NH+](C)C[C@]12C[C@H]1CN(c1ccc(N)c[nH+]1)C2 ZINC001165180575 965976240 /nfs/dbraw/zinc/97/62/40/965976240.db2.gz DPCIYHUGRRSQEU-GWCFXTLKSA-N 2 1 232.331 1.052 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2cnc(C[NH3+])nc2)C1 ZINC001165277870 966025016 /nfs/dbraw/zinc/02/50/16/966025016.db2.gz AYWKHAWIQREYMV-LLVKDONJSA-N 2 1 249.362 1.079 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205146424 966042598 /nfs/dbraw/zinc/04/25/98/966042598.db2.gz VURMOHQPEGCLML-WCQYABFASA-N 2 1 233.359 1.725 20 0 BDADMP CCc1nc(N2CC[C@H]3C[C@@]3([NH3+])C2)cc(C)[nH+]1 ZINC001165330455 966058806 /nfs/dbraw/zinc/05/88/06/966058806.db2.gz ZAXXOQGXQSACGE-GXFFZTMASA-N 2 1 232.331 1.275 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)O1 ZINC001235889862 966131835 /nfs/dbraw/zinc/13/18/35/966131835.db2.gz AGINPKWULUYDCL-AVGNSLFASA-N 2 1 238.375 1.975 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H]3CCC[C@@H]32)O1 ZINC001235889862 966131841 /nfs/dbraw/zinc/13/18/41/966131841.db2.gz AGINPKWULUYDCL-AVGNSLFASA-N 2 1 238.375 1.975 20 0 BDADMP C[C@@H]1CNC[C@@H](C)[NH+]1CCCCCC[NH3+] ZINC001236104464 966269581 /nfs/dbraw/zinc/26/95/81/966269581.db2.gz KPSWWGUWNRIXNC-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1CN(Cc2[nH+]cn3ccccc23)C[C@H](C)[NH2+]1 ZINC001236580385 966460426 /nfs/dbraw/zinc/46/04/26/966460426.db2.gz YZZAFFDHOHOHAE-TXEJJXNPSA-N 2 1 244.342 1.517 20 0 BDADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)cc(C)n1 ZINC001203269968 966592522 /nfs/dbraw/zinc/59/25/22/966592522.db2.gz FHLJOWFVNOUZRZ-UHFFFAOYSA-N 2 1 244.342 1.764 20 0 BDADMP CCOC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380662 966654699 /nfs/dbraw/zinc/65/46/99/966654699.db2.gz GQCMYQMRKOZTMV-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380662 966654706 /nfs/dbraw/zinc/65/47/06/966654706.db2.gz GQCMYQMRKOZTMV-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384728 966656474 /nfs/dbraw/zinc/65/64/74/966656474.db2.gz XSBIGMBTGCZHEW-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384728 966656485 /nfs/dbraw/zinc/65/64/85/966656485.db2.gz XSBIGMBTGCZHEW-KGLIPLIRSA-N 2 1 239.407 1.579 20 0 BDADMP Cc1c(N)cc[nH+]c1C1=CCC[NH2+]CC1 ZINC001238939510 966794198 /nfs/dbraw/zinc/79/41/98/966794198.db2.gz VNSXCYFGRFMUDT-UHFFFAOYSA-N 2 1 203.289 1.739 20 0 BDADMP CCC1(Nc2c[nH+]c(N(C)C)cc2C)C[NH2+]C1 ZINC001168583674 966933668 /nfs/dbraw/zinc/93/36/68/966933668.db2.gz QJNDRESZWRHVOB-UHFFFAOYSA-N 2 1 234.347 1.620 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)N1CCC[NH2+]CC1 ZINC001204654949 967116656 /nfs/dbraw/zinc/11/66/56/967116656.db2.gz IWOWQJZUDWVLPO-UHFFFAOYSA-N 2 1 237.391 1.062 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCC[NH2+]CC1 ZINC001204654949 967116649 /nfs/dbraw/zinc/11/66/49/967116649.db2.gz IWOWQJZUDWVLPO-UHFFFAOYSA-N 2 1 237.391 1.062 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CCCNCC1 ZINC001204654949 967116666 /nfs/dbraw/zinc/11/66/66/967116666.db2.gz IWOWQJZUDWVLPO-UHFFFAOYSA-N 2 1 237.391 1.062 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCCNCC1 ZINC001204654949 967116674 /nfs/dbraw/zinc/11/66/74/967116674.db2.gz IWOWQJZUDWVLPO-UHFFFAOYSA-N 2 1 237.391 1.062 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+](CCCc2ccncc2)C1 ZINC001204764309 967150450 /nfs/dbraw/zinc/15/04/50/967150450.db2.gz WASUFCWYTYEPAH-CYBMUJFWSA-N 2 1 219.332 1.437 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](CCCc2ccncc2)C1 ZINC001204764309 967150456 /nfs/dbraw/zinc/15/04/56/967150456.db2.gz WASUFCWYTYEPAH-CYBMUJFWSA-N 2 1 219.332 1.437 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](CCCc2cccnc2)C1 ZINC001204764306 967155448 /nfs/dbraw/zinc/15/54/48/967155448.db2.gz VREQIXNAROVZHL-ZDUSSCGKSA-N 2 1 219.332 1.437 20 0 BDADMP CN(C)CC(C)(C)C[NH+]1CCC(C[NH3+])CC1 ZINC001205026687 967274483 /nfs/dbraw/zinc/27/44/83/967274483.db2.gz WTQGHUNUQWXQRO-UHFFFAOYSA-N 2 1 227.396 1.245 20 0 BDADMP C[NH+](C)CC(C)(C)CN1CCC(C[NH3+])CC1 ZINC001205026687 967274490 /nfs/dbraw/zinc/27/44/90/967274490.db2.gz WTQGHUNUQWXQRO-UHFFFAOYSA-N 2 1 227.396 1.245 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C2CC2)n1 ZINC001205117537 967365323 /nfs/dbraw/zinc/36/53/23/967365323.db2.gz QKNYBRDDUCVVLE-CYBMUJFWSA-N 2 1 248.374 1.611 20 0 BDADMP CS[C@@H](C)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131441 967375613 /nfs/dbraw/zinc/37/56/13/967375613.db2.gz ZZQNRIAJVDDPQT-GARJFASQSA-N 2 1 216.394 1.655 20 0 BDADMP C[C@H]1C[N@@H+](CCCc2cccnc2)C[C@H]1C[NH3+] ZINC001205130680 967375657 /nfs/dbraw/zinc/37/56/57/967375657.db2.gz LJQAKKZKSHWWDR-GXTWGEPZSA-N 2 1 233.359 1.541 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)nc1C ZINC001205131158 967376936 /nfs/dbraw/zinc/37/69/36/967376936.db2.gz RJDWQPFETKTWQE-GFCCVEGCSA-N 2 1 249.358 1.712 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)nc1C ZINC001205131158 967376943 /nfs/dbraw/zinc/37/69/43/967376943.db2.gz RJDWQPFETKTWQE-GFCCVEGCSA-N 2 1 249.358 1.712 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)oc1C ZINC001205135867 967380435 /nfs/dbraw/zinc/38/04/35/967380435.db2.gz AKSQZIYIIVQCNL-CMPLNLGQSA-N 2 1 222.332 1.923 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000721954152 967385054 /nfs/dbraw/zinc/38/50/54/967385054.db2.gz IDAZITTZEBENCT-FQUUOJAGSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000721954152 967385060 /nfs/dbraw/zinc/38/50/60/967385060.db2.gz IDAZITTZEBENCT-FQUUOJAGSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cnccc23)C[C@H]1C[NH3+] ZINC001205146635 967389384 /nfs/dbraw/zinc/38/93/84/967389384.db2.gz ZSFGWQULTWOAIG-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP CC(C)(C)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205208945 967428359 /nfs/dbraw/zinc/42/83/59/967428359.db2.gz GIZKEIXSDNULPS-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205228631 967428889 /nfs/dbraw/zinc/42/88/89/967428889.db2.gz GRQJESRKPWUBKX-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP [NH3+]C[C@]1(O)CCC[N@@H+](CC2CCCC2)CC1 ZINC001205210135 967430424 /nfs/dbraw/zinc/43/04/24/967430424.db2.gz NCSCBTDUJFIHPQ-ZDUSSCGKSA-N 2 1 226.364 1.352 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2N)CC1 ZINC001205287901 967483833 /nfs/dbraw/zinc/48/38/33/967483833.db2.gz CVBDONLAVHCUJV-CQSZACIVSA-N 2 1 233.359 1.972 20 0 BDADMP C[C@@H]1CCNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205324414 967541747 /nfs/dbraw/zinc/54/17/47/967541747.db2.gz AXMZTTDYZQEHOP-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC001205324414 967541773 /nfs/dbraw/zinc/54/17/73/967541773.db2.gz AXMZTTDYZQEHOP-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccnc2)CC1 ZINC001205545319 967689140 /nfs/dbraw/zinc/68/91/40/967689140.db2.gz CZPHAAOLLWEZMN-CYBMUJFWSA-N 2 1 237.322 1.735 20 0 BDADMP C[C@H]1CC[N@@H+](CC23CC([NH3+])(C2)C3)CC[C@@H]1C[NH3+] ZINC001205602533 967717363 /nfs/dbraw/zinc/71/73/63/967717363.db2.gz JFVNDYNCVQWBQR-MRFVTOPCSA-N 3 1 237.391 1.175 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCO)CC[C@H]1C[NH3+] ZINC001205603532 967719296 /nfs/dbraw/zinc/71/92/96/967719296.db2.gz PWMOZICGUBMEPM-STQMWFEESA-N 2 1 228.380 1.456 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001205603590 967720696 /nfs/dbraw/zinc/72/06/96/967720696.db2.gz QPPVIVSCBJDSBY-TZMCWYRMSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1nc[nH]c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602805 967721838 /nfs/dbraw/zinc/72/18/38/967721838.db2.gz MPERNXQAPXPPTD-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1C[NH3+] ZINC001205618056 967725533 /nfs/dbraw/zinc/72/55/33/967725533.db2.gz RACLSVKFQUHQRL-WCQYABFASA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc[nH]c2=O)CC[C@@H]1C[NH3+] ZINC001205617739 967728257 /nfs/dbraw/zinc/72/82/57/967728257.db2.gz NAXGHAMGKYDXPY-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnccn2)CC[C@@H]1C[NH3+] ZINC001205617887 967730826 /nfs/dbraw/zinc/73/08/26/967730826.db2.gz OUAYIWULYZEWBR-NWDGAFQWSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncccc2N)CC[C@H]1C[NH3+] ZINC001205616245 967731401 /nfs/dbraw/zinc/73/14/01/967731401.db2.gz DSKAHALXXYKIGS-RYUDHWBXSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1ncncc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205652528 967743660 /nfs/dbraw/zinc/74/36/60/967743660.db2.gz PYLJFTABMZEPKD-AAEUAGOBSA-N 2 1 248.374 1.592 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CCc2ccccc2)C1 ZINC001205663378 967749914 /nfs/dbraw/zinc/74/99/14/967749914.db2.gz IVBRDQDTPNHBSS-HNNXBMFYSA-N 2 1 248.370 1.405 20 0 BDADMP Cc1cncc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205672817 967762454 /nfs/dbraw/zinc/76/24/54/967762454.db2.gz LWQJIRASMKQTDC-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3cnoc3)C[C@@H]2C1 ZINC001205685054 967778643 /nfs/dbraw/zinc/77/86/43/967778643.db2.gz UKENUXLSDBPEDD-NEPJUHHUSA-N 2 1 221.304 1.058 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnoc3)C[C@@H]2C1 ZINC001205685054 967778646 /nfs/dbraw/zinc/77/86/46/967778646.db2.gz UKENUXLSDBPEDD-NEPJUHHUSA-N 2 1 221.304 1.058 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnoc3)C[C@@H]2C1 ZINC001205685054 967778657 /nfs/dbraw/zinc/77/86/57/967778657.db2.gz UKENUXLSDBPEDD-NEPJUHHUSA-N 2 1 221.304 1.058 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnoc3)C[C@@H]2C1 ZINC001205685054 967778671 /nfs/dbraw/zinc/77/86/71/967778671.db2.gz UKENUXLSDBPEDD-NEPJUHHUSA-N 2 1 221.304 1.058 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnoc3)C[C@@H]2C1 ZINC001205685054 967778679 /nfs/dbraw/zinc/77/86/79/967778679.db2.gz UKENUXLSDBPEDD-NEPJUHHUSA-N 2 1 221.304 1.058 20 0 BDADMP Cc1[nH]c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(C)[nH+]1 ZINC001205840862 967848014 /nfs/dbraw/zinc/84/80/14/967848014.db2.gz IJANXMCHCXYHHX-CABZTGNLSA-N 2 1 236.363 1.586 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(N)c2)C1 ZINC001205839416 967848369 /nfs/dbraw/zinc/84/83/69/967848369.db2.gz FSOMOOWPVQIYAS-FZMZJTMJSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(N)c2)C1 ZINC001205839416 967848371 /nfs/dbraw/zinc/84/83/71/967848371.db2.gz FSOMOOWPVQIYAS-FZMZJTMJSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC[NH3+])CCC1(F)F ZINC001205902251 967879811 /nfs/dbraw/zinc/87/98/11/967879811.db2.gz JHTAUAKJXQDNFH-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205903497 967880649 /nfs/dbraw/zinc/88/06/49/967880649.db2.gz PRTJJPDRACVHGJ-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981759 967926556 /nfs/dbraw/zinc/92/65/56/967926556.db2.gz GSROHKQVZDAJFK-WOPDTQHZSA-N 2 1 213.369 1.031 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981759 967926588 /nfs/dbraw/zinc/92/65/88/967926588.db2.gz GSROHKQVZDAJFK-WOPDTQHZSA-N 2 1 213.369 1.031 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)CCC[C@H]1C[NH3+] ZINC001205994137 967946632 /nfs/dbraw/zinc/94/66/32/967946632.db2.gz JRPPOTYOJCCHRQ-OCCSQVGLSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncco2)CCC[C@@H]1C[NH3+] ZINC001206003765 967956042 /nfs/dbraw/zinc/95/60/42/967956042.db2.gz MHWLPEXEWKKADE-WDEREUQCSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncn2)CCC[C@H]1C[NH3+] ZINC001206003898 967962739 /nfs/dbraw/zinc/96/27/39/967962739.db2.gz NKHFSXQWGAPMEU-NEPJUHHUSA-N 2 1 234.347 1.283 20 0 BDADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000697039916 967987574 /nfs/dbraw/zinc/98/75/74/967987574.db2.gz HHNDGZFBDVNTNX-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1nonc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206036753 967990310 /nfs/dbraw/zinc/99/03/10/967990310.db2.gz PJWDXRFZGSWRIX-MWLCHTKSSA-N 2 1 238.335 1.185 20 0 BDADMP Cc1nc(C[N@H+](C)CC2CC[NH+](C)CC2)co1 ZINC001206068436 968034775 /nfs/dbraw/zinc/03/47/75/968034775.db2.gz YMYFALWEGJIPMQ-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP Cc1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)co1 ZINC001206068436 968034787 /nfs/dbraw/zinc/03/47/87/968034787.db2.gz YMYFALWEGJIPMQ-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCc2ccccc2)CC[C@@H]1F ZINC001206154138 968093514 /nfs/dbraw/zinc/09/35/14/968093514.db2.gz GVRMTOUQRNHWPG-KBPBESRZSA-N 2 1 236.334 1.990 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCc2ccccc2)CC[C@@H]1F ZINC001206154138 968093529 /nfs/dbraw/zinc/09/35/29/968093529.db2.gz GVRMTOUQRNHWPG-KBPBESRZSA-N 2 1 236.334 1.990 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206165779 968102822 /nfs/dbraw/zinc/10/28/22/968102822.db2.gz OTWFLEBDWBFWTE-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001206296118 968200741 /nfs/dbraw/zinc/20/07/41/968200741.db2.gz PPRYKLNQMDWJFV-KBPBESRZSA-N 3 1 239.407 1.437 20 0 BDADMP CC[N@H+]1CCC[C@@H](OCCC[NH+](C)C)C1 ZINC001206294712 968201896 /nfs/dbraw/zinc/20/18/96/968201896.db2.gz BBHYZRFDJKAJLR-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206303589 968209628 /nfs/dbraw/zinc/20/96/28/968209628.db2.gz DHEYFVUQQLJIIV-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206303589 968209639 /nfs/dbraw/zinc/20/96/39/968209639.db2.gz DHEYFVUQQLJIIV-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206303589 968209651 /nfs/dbraw/zinc/20/96/51/968209651.db2.gz DHEYFVUQQLJIIV-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnccn2)CC1 ZINC001206305418 968214620 /nfs/dbraw/zinc/21/46/20/968214620.db2.gz YVLFTFLZZPTSPV-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP [NH3+][C@H]1C[C@H](F)CN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001206423910 968293365 /nfs/dbraw/zinc/29/33/65/968293365.db2.gz MHODKHMCUPJKLG-QWRGUYRKSA-N 2 1 248.305 1.434 20 0 BDADMP CC1(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCCCC1 ZINC001206512635 968346199 /nfs/dbraw/zinc/34/61/99/968346199.db2.gz RZLSBVLYGNHZMW-RYUDHWBXSA-N 2 1 226.364 1.208 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc3ccccc23)C[C@@H]1O ZINC001206524968 968355086 /nfs/dbraw/zinc/35/50/86/968355086.db2.gz DFULPMCVTCUHPN-GWCFXTLKSA-N 2 1 246.310 1.184 20 0 BDADMP Nc1[nH+]c2ccccc2n1-c1cc[nH+]c(N)c1 ZINC001206522434 968355466 /nfs/dbraw/zinc/35/54/66/968355466.db2.gz PMGSTRPHOOPMHD-UHFFFAOYSA-N 2 1 225.255 1.585 20 0 BDADMP COC(=O)[C@@H](C)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541955 968369097 /nfs/dbraw/zinc/36/90/97/968369097.db2.gz OGPFPCFPXOGRAC-AAEUAGOBSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2c[nH]ccc2=O)C1 ZINC001206573456 968395474 /nfs/dbraw/zinc/39/54/74/968395474.db2.gz LAKZLAARDGVJNC-AWEZNQCLSA-N 2 1 249.358 1.326 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]ccc2=O)C1 ZINC001206573456 968395487 /nfs/dbraw/zinc/39/54/87/968395487.db2.gz LAKZLAARDGVJNC-AWEZNQCLSA-N 2 1 249.358 1.326 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749800 968454766 /nfs/dbraw/zinc/45/47/66/968454766.db2.gz NNTHPBWGCJNXJN-ZDUSSCGKSA-N 2 1 247.386 1.326 20 0 BDADMP CCCC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001252090518 968512945 /nfs/dbraw/zinc/51/29/45/968512945.db2.gz LHJCSGGTTIEHDY-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP CN1CCC([N@H+](C)Cc2cccc(=O)[nH]2)CC1 ZINC001207064389 968594985 /nfs/dbraw/zinc/59/49/85/968594985.db2.gz QUSJAIAYGPBEEY-UHFFFAOYSA-N 2 1 235.331 1.313 20 0 BDADMP CN1CCC([N@@H+](C)Cc2cccc(=O)[nH]2)CC1 ZINC001207064389 968595000 /nfs/dbraw/zinc/59/50/00/968595000.db2.gz QUSJAIAYGPBEEY-UHFFFAOYSA-N 2 1 235.331 1.313 20 0 BDADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207279995 968700898 /nfs/dbraw/zinc/70/08/98/968700898.db2.gz QQIAYBXHTZEIHA-NSHDSACASA-N 2 1 242.363 1.069 20 0 BDADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CC[C@@H]1O ZINC001207276299 968712520 /nfs/dbraw/zinc/71/25/20/968712520.db2.gz VCHNPHOWKPYTID-RYUDHWBXSA-N 2 1 228.380 1.277 20 0 BDADMP COC[C@H]1CC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207284942 968718068 /nfs/dbraw/zinc/71/80/68/968718068.db2.gz VHVDHZYHBXNOJK-LLVKDONJSA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@H]1CC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207284942 968718073 /nfs/dbraw/zinc/71/80/73/968718073.db2.gz VHVDHZYHBXNOJK-LLVKDONJSA-N 2 1 214.353 1.295 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001207399390 968752181 /nfs/dbraw/zinc/75/21/81/968752181.db2.gz LPQZQEIRCSPADC-XYYAHUGASA-N 2 1 226.339 1.476 20 0 BDADMP FC1(C2CC2)C[NH+](CC2CC[NH2+]CC2)C1 ZINC001207436841 968771461 /nfs/dbraw/zinc/77/14/61/968771461.db2.gz RXVQJWMDYDDYGB-UHFFFAOYSA-N 2 1 212.312 1.420 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001207470374 968788539 /nfs/dbraw/zinc/78/85/39/968788539.db2.gz QSVWENUIHJXAFM-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207486569 968797349 /nfs/dbraw/zinc/79/73/49/968797349.db2.gz KMXVXGCBYMZJDR-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)C1COC1 ZINC001207483605 968798533 /nfs/dbraw/zinc/79/85/33/968798533.db2.gz GGYKRKHJPVLPDX-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](C)CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000336670428 968824099 /nfs/dbraw/zinc/82/40/99/968824099.db2.gz GRVMIGWKNYUENE-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000336670428 968824106 /nfs/dbraw/zinc/82/41/06/968824106.db2.gz GRVMIGWKNYUENE-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000829274647 968825391 /nfs/dbraw/zinc/82/53/91/968825391.db2.gz GLZVPIMYZGYGEV-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000829274647 968825394 /nfs/dbraw/zinc/82/53/94/968825394.db2.gz GLZVPIMYZGYGEV-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CCN(C)c1cc[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154976405 968828146 /nfs/dbraw/zinc/82/81/46/968828146.db2.gz KUWATZWNBXSIDV-MNOVXSKESA-N 2 1 249.362 1.615 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000829276039 968829182 /nfs/dbraw/zinc/82/91/82/968829182.db2.gz RUPCYTZOKCPZEY-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)cc(N(C)C)[nH+]1 ZINC001154977081 968829613 /nfs/dbraw/zinc/82/96/13/968829613.db2.gz MSYOQEOMOKVPJY-MNOVXSKESA-N 2 1 249.362 1.533 20 0 BDADMP CC[NH+](CC)C1CC[NH+](CC2(C)COC2)CC1 ZINC001207795023 968883541 /nfs/dbraw/zinc/88/35/41/968883541.db2.gz PPZSSAMGEDYLLD-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001207835407 968895840 /nfs/dbraw/zinc/89/58/40/968895840.db2.gz BTNUCRQEUSJLCS-KGYLQXTDSA-N 2 1 235.331 1.413 20 0 BDADMP Cc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001207835407 968895845 /nfs/dbraw/zinc/89/58/45/968895845.db2.gz BTNUCRQEUSJLCS-KGYLQXTDSA-N 2 1 235.331 1.413 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCO1 ZINC001207894697 968920710 /nfs/dbraw/zinc/92/07/10/968920710.db2.gz UKNXQSPPQLQSKH-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[N@H+](C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962682 968960798 /nfs/dbraw/zinc/96/07/98/968960798.db2.gz USMFPCHRHWOTQP-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962682 968960804 /nfs/dbraw/zinc/96/08/04/968960804.db2.gz USMFPCHRHWOTQP-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@H+](CCC[NH+](C)C)C[C@H]1CCCCO1 ZINC001207961753 968961225 /nfs/dbraw/zinc/96/12/25/968961225.db2.gz ATVSPPXEKRNHTI-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCCO1 ZINC001207961753 968961232 /nfs/dbraw/zinc/96/12/32/968961232.db2.gz ATVSPPXEKRNHTI-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP C[N@H+](Cc1ncccn1)CC1(C)CC[NH+](C)CC1 ZINC001208105608 969001355 /nfs/dbraw/zinc/00/13/55/969001355.db2.gz AHYWAKYTKXFQRE-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP C[N@@H+](Cc1ncccn1)CC1(C)CC[NH+](C)CC1 ZINC001208105608 969001368 /nfs/dbraw/zinc/00/13/68/969001368.db2.gz AHYWAKYTKXFQRE-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001208107745 969002131 /nfs/dbraw/zinc/00/21/31/969002131.db2.gz KBCHBHWSNLUSFW-NEPJUHHUSA-N 2 1 244.354 1.123 20 0 BDADMP CC[N@@H+](CC1(C)CC[NH+](C)CC1)C1COC1 ZINC001208114591 969009028 /nfs/dbraw/zinc/00/90/28/969009028.db2.gz ZGRSMFNHPQHEGN-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1[nH]c(CN2CC3(C2)CC[N@@H+](C)C3)c(C)[nH+]1 ZINC001276566688 969132126 /nfs/dbraw/zinc/13/21/26/969132126.db2.gz VPPSUXUGYWGZLQ-UHFFFAOYSA-N 2 1 234.347 1.164 20 0 BDADMP Cc1[nH]c(CN2CC3(C2)CC[N@H+](C)C3)c(C)[nH+]1 ZINC001276566688 969132129 /nfs/dbraw/zinc/13/21/29/969132129.db2.gz VPPSUXUGYWGZLQ-UHFFFAOYSA-N 2 1 234.347 1.164 20 0 BDADMP Cc1ccc(NC[C@H](O)C[NH2+]C(C)(C)C)[nH+]c1 ZINC001253384000 969145563 /nfs/dbraw/zinc/14/55/63/969145563.db2.gz XFLZVPYRSSDXSY-NSHDSACASA-N 2 1 237.347 1.551 20 0 BDADMP CC[NH+]1CCC(C[N@H+](C)Cc2ccon2)CC1 ZINC001208598001 969152579 /nfs/dbraw/zinc/15/25/79/969152579.db2.gz PJEAIYBVJVNWPL-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccon2)CC1 ZINC001208598001 969152586 /nfs/dbraw/zinc/15/25/86/969152586.db2.gz PJEAIYBVJVNWPL-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCOCC23CC3)CC1 ZINC001208602145 969155918 /nfs/dbraw/zinc/15/59/18/969155918.db2.gz ZBEGAQIVVKOMHV-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cncnc2)CC1 ZINC001208602862 969157244 /nfs/dbraw/zinc/15/72/44/969157244.db2.gz PMJIFDWDNYFCKZ-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP CCC[N@H+](CCOC)C[C@@H]1CCC[NH+](C)C1 ZINC001208603316 969158217 /nfs/dbraw/zinc/15/82/17/969158217.db2.gz BACDGWNGISFZLS-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[N@@H+](CCOC)C[C@@H]1CCC[NH+](C)C1 ZINC001208603316 969158218 /nfs/dbraw/zinc/15/82/18/969158218.db2.gz BACDGWNGISFZLS-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[NH+](CCOC)C[C@@H]1CCC[N@H+](C)C1 ZINC001208603316 969158222 /nfs/dbraw/zinc/15/82/22/969158222.db2.gz BACDGWNGISFZLS-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[NH+](CCOC)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603316 969158224 /nfs/dbraw/zinc/15/82/24/969158224.db2.gz BACDGWNGISFZLS-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](O)CC1 ZINC001208608017 969166449 /nfs/dbraw/zinc/16/64/49/969166449.db2.gz OQJJUKDJZPPYHK-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](O)CC1 ZINC001208608017 969166458 /nfs/dbraw/zinc/16/64/58/969166458.db2.gz OQJJUKDJZPPYHK-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CC[C@H](O)CC1 ZINC001208608017 969166469 /nfs/dbraw/zinc/16/64/69/969166469.db2.gz OQJJUKDJZPPYHK-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[C@H](O)CC1 ZINC001208608017 969166476 /nfs/dbraw/zinc/16/64/76/969166476.db2.gz OQJJUKDJZPPYHK-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP COC[C@@H]1CC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208616149 969171933 /nfs/dbraw/zinc/17/19/33/969171933.db2.gz ZIYVHUSSLWWNIP-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H]1CC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208616149 969171939 /nfs/dbraw/zinc/17/19/39/969171939.db2.gz ZIYVHUSSLWWNIP-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H]1CC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208616149 969171944 /nfs/dbraw/zinc/17/19/44/969171944.db2.gz ZIYVHUSSLWWNIP-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]3C[C@H]32)C1 ZINC001208617057 969172304 /nfs/dbraw/zinc/17/23/04/969172304.db2.gz LYSOTOMGYPSMJR-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]3C[C@H]32)C1 ZINC001208617057 969172312 /nfs/dbraw/zinc/17/23/12/969172312.db2.gz LYSOTOMGYPSMJR-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]3C[C@H]32)C1 ZINC001208617057 969172317 /nfs/dbraw/zinc/17/23/17/969172317.db2.gz LYSOTOMGYPSMJR-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]3C[C@H]32)C1 ZINC001208617057 969172322 /nfs/dbraw/zinc/17/23/22/969172322.db2.gz LYSOTOMGYPSMJR-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC2(C1)CCOCC2 ZINC000389372785 969202712 /nfs/dbraw/zinc/20/27/12/969202712.db2.gz MUMQGRPRSXCWNV-UHFFFAOYSA-N 2 1 212.337 1.228 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001253547211 969219925 /nfs/dbraw/zinc/21/99/25/969219925.db2.gz FQVUGPZURWGSAY-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc[nH]c(=O)c1 ZINC001276614891 969348845 /nfs/dbraw/zinc/34/88/45/969348845.db2.gz OSQMOHHHXVLRBX-YHWZYXNKSA-N 2 1 247.342 1.502 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CCCc1ccncc1 ZINC001209180614 969370803 /nfs/dbraw/zinc/37/08/03/969370803.db2.gz DCFXEYFXXNYODJ-UHFFFAOYSA-N 2 1 235.375 1.898 20 0 BDADMP CSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092734 969385199 /nfs/dbraw/zinc/38/51/99/969385199.db2.gz CMPKLBDZYZWXBJ-RTCCRHLQSA-N 2 1 214.378 1.564 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CC[N@H+](C)C1)C2 ZINC001169095742 969385880 /nfs/dbraw/zinc/38/58/80/969385880.db2.gz SKOIKEPDOLOTMF-FQUUOJAGSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095742 969385885 /nfs/dbraw/zinc/38/58/85/969385885.db2.gz SKOIKEPDOLOTMF-FQUUOJAGSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095742 969385890 /nfs/dbraw/zinc/38/58/90/969385890.db2.gz SKOIKEPDOLOTMF-FQUUOJAGSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001169095742 969385891 /nfs/dbraw/zinc/38/58/91/969385891.db2.gz SKOIKEPDOLOTMF-FQUUOJAGSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)C1)C2 ZINC001169095742 969385894 /nfs/dbraw/zinc/38/58/94/969385894.db2.gz SKOIKEPDOLOTMF-FQUUOJAGSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095742 969385897 /nfs/dbraw/zinc/38/58/97/969385897.db2.gz SKOIKEPDOLOTMF-FQUUOJAGSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095742 969385901 /nfs/dbraw/zinc/38/59/01/969385901.db2.gz SKOIKEPDOLOTMF-FQUUOJAGSA-N 3 1 237.391 1.153 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096154 969387531 /nfs/dbraw/zinc/38/75/31/969387531.db2.gz VAEVIKBARYCQOI-LPWJVIDDSA-N 2 1 225.380 1.151 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](O)CC1)C2 ZINC001169097520 969391113 /nfs/dbraw/zinc/39/11/13/969391113.db2.gz AYCVRPATHSXXSV-KLLCGCCRSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](F)C1)C2 ZINC001169098630 969393182 /nfs/dbraw/zinc/39/31/82/969393182.db2.gz KEAUYRUCIFTINA-ZGIVBDMPSA-N 2 1 212.312 1.702 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001169077930 969395360 /nfs/dbraw/zinc/39/53/60/969395360.db2.gz BXNOHEOGCSROBX-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(C)CCOCC1)C2 ZINC001169080425 969402869 /nfs/dbraw/zinc/40/28/69/969402869.db2.gz NGMVZTNUAKPDRP-XYYAHUGASA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)CO)C2 ZINC001169081552 969403144 /nfs/dbraw/zinc/40/31/44/969403144.db2.gz SUQRWIABARGRIP-CNDDSTCGSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)C2 ZINC001169079793 969404760 /nfs/dbraw/zinc/40/47/60/969404760.db2.gz LPKAGGYWTNQOSU-HPCHECBXSA-N 2 1 238.375 1.362 20 0 BDADMP CCOCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081336 969405577 /nfs/dbraw/zinc/40/55/77/969405577.db2.gz RLYQDPCDGZQFDB-CLLJXQQHSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001253785389 969406871 /nfs/dbraw/zinc/40/68/71/969406871.db2.gz UQGVZXMFVIYDAB-FQUUOJAGSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cnoc1)C2 ZINC001169116377 969412771 /nfs/dbraw/zinc/41/27/71/969412771.db2.gz QASQXWCKEJFESQ-XYYAHUGASA-N 2 1 235.331 1.432 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@]1(C)CCOC1)C2 ZINC001169118277 969414435 /nfs/dbraw/zinc/41/44/35/969414435.db2.gz GOSPBEKEPWVOTD-CRWXNKLISA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](CO)C1)C2 ZINC001169122761 969419349 /nfs/dbraw/zinc/41/93/49/969419349.db2.gz CYCMYMKBEYHOIX-YIYPIFLZSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](CO)C1)C2 ZINC001169122761 969419356 /nfs/dbraw/zinc/41/93/56/969419356.db2.gz CYCMYMKBEYHOIX-YIYPIFLZSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](CO)C1)C2 ZINC001169122761 969419360 /nfs/dbraw/zinc/41/93/60/969419360.db2.gz CYCMYMKBEYHOIX-YIYPIFLZSA-N 2 1 238.375 1.316 20 0 BDADMP CC[NH+]1CCC([N@H+](C)Cc2cc[nH]c2)CC1 ZINC000349964628 969420948 /nfs/dbraw/zinc/42/09/48/969420948.db2.gz NBELWIDSALRYEX-UHFFFAOYSA-N 2 1 221.348 1.931 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)Cc2cc[nH]c2)CC1 ZINC000349964628 969420957 /nfs/dbraw/zinc/42/09/57/969420957.db2.gz NBELWIDSALRYEX-UHFFFAOYSA-N 2 1 221.348 1.931 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126289 969431426 /nfs/dbraw/zinc/43/14/26/969431426.db2.gz RDBVKLTVUXYCJP-NAWOPXAZSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126289 969431431 /nfs/dbraw/zinc/43/14/31/969431431.db2.gz RDBVKLTVUXYCJP-NAWOPXAZSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126289 969431438 /nfs/dbraw/zinc/43/14/38/969431438.db2.gz RDBVKLTVUXYCJP-NAWOPXAZSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126289 969431445 /nfs/dbraw/zinc/43/14/45/969431445.db2.gz RDBVKLTVUXYCJP-NAWOPXAZSA-N 2 1 224.348 1.067 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001169126828 969431655 /nfs/dbraw/zinc/43/16/55/969431655.db2.gz XXWBAOSZXDVMSB-KSSYENDESA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001169126828 969431679 /nfs/dbraw/zinc/43/16/79/969431679.db2.gz XXWBAOSZXDVMSB-KSSYENDESA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001169126828 969431686 /nfs/dbraw/zinc/43/16/86/969431686.db2.gz XXWBAOSZXDVMSB-KSSYENDESA-N 2 1 242.338 1.016 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](F)[C@@H](O)C1)C2 ZINC001169126834 969432887 /nfs/dbraw/zinc/43/28/87/969432887.db2.gz XXWBAOSZXDVMSB-SJHCENCUSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](F)[C@@H](O)C1)C2 ZINC001169126834 969432893 /nfs/dbraw/zinc/43/28/93/969432893.db2.gz XXWBAOSZXDVMSB-SJHCENCUSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](F)[C@@H](O)C1)C2 ZINC001169126834 969432903 /nfs/dbraw/zinc/43/29/03/969432903.db2.gz XXWBAOSZXDVMSB-SJHCENCUSA-N 2 1 242.338 1.016 20 0 BDADMP CC[C@@H]1COCCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142611 969452215 /nfs/dbraw/zinc/45/22/15/969452215.db2.gz DLISBCALWCVGQV-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169142174 969452546 /nfs/dbraw/zinc/45/25/46/969452546.db2.gz AJBVOQUIMZROFI-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142174 969452556 /nfs/dbraw/zinc/45/25/56/969452556.db2.gz AJBVOQUIMZROFI-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142174 969452564 /nfs/dbraw/zinc/45/25/64/969452564.db2.gz AJBVOQUIMZROFI-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142174 969452576 /nfs/dbraw/zinc/45/25/76/969452576.db2.gz AJBVOQUIMZROFI-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142174 969452586 /nfs/dbraw/zinc/45/25/86/969452586.db2.gz AJBVOQUIMZROFI-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP CCCC[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC001169224201 969492459 /nfs/dbraw/zinc/49/24/59/969492459.db2.gz COVXWEAKFUNJRX-CYBMUJFWSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001209433421 969502155 /nfs/dbraw/zinc/50/21/55/969502155.db2.gz UCGVEJVQCTVXIV-FDYHWXHSSA-N 2 1 208.349 1.668 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@]23CCOC3)CC1 ZINC001169264543 969521743 /nfs/dbraw/zinc/52/17/43/969521743.db2.gz HMXZZTALUIDKEJ-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@]23CCOC3)CC1 ZINC001169264543 969521746 /nfs/dbraw/zinc/52/17/46/969521746.db2.gz HMXZZTALUIDKEJ-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001169266315 969525037 /nfs/dbraw/zinc/52/50/37/969525037.db2.gz VQXALJPGWMTOMP-WCQYABFASA-N 2 1 224.348 1.191 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001169266315 969525045 /nfs/dbraw/zinc/52/50/45/969525045.db2.gz VQXALJPGWMTOMP-WCQYABFASA-N 2 1 224.348 1.191 20 0 BDADMP CC[NH+]1CCC(N[C@]2(C)CCC[N@@H+](C)C2)CC1 ZINC001169241199 969528276 /nfs/dbraw/zinc/52/82/76/969528276.db2.gz JOVKGQWRQMCPLT-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC001169245201 969530795 /nfs/dbraw/zinc/53/07/95/969530795.db2.gz BRTIHORKCHZKJG-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC001169245201 969530801 /nfs/dbraw/zinc/53/08/01/969530801.db2.gz BRTIHORKCHZKJG-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP CCN1CCC([N@H+]2C[C@@H](CO)CC[C@@H]2C)CC1 ZINC001169246219 969533032 /nfs/dbraw/zinc/53/30/32/969533032.db2.gz PPANYBMJHWQXPF-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@@H](CO)CC[C@@H]2C)CC1 ZINC001169246219 969533042 /nfs/dbraw/zinc/53/30/42/969533042.db2.gz PPANYBMJHWQXPF-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@@H](CO)CC[C@@H]2C)CC1 ZINC001169246219 969533051 /nfs/dbraw/zinc/53/30/51/969533051.db2.gz PPANYBMJHWQXPF-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP CCN1CCC([N@H+]2CCOC[C@@H](C)C2)CC1 ZINC001169246046 969533790 /nfs/dbraw/zinc/53/37/90/969533790.db2.gz NFZGLXDOIAIULP-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC001169246046 969533798 /nfs/dbraw/zinc/53/37/98/969533798.db2.gz NFZGLXDOIAIULP-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC001169245764 969537228 /nfs/dbraw/zinc/53/72/28/969537228.db2.gz IBGCTLBFVGISRL-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC001169245764 969537233 /nfs/dbraw/zinc/53/72/33/969537233.db2.gz IBGCTLBFVGISRL-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([NH+]2CCC(CO)CC2)CC1 ZINC001169251515 969539819 /nfs/dbraw/zinc/53/98/19/969539819.db2.gz XDGIYXYOSZNOBR-UHFFFAOYSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)[C@H]1CO ZINC001209728162 969579375 /nfs/dbraw/zinc/57/93/75/969579375.db2.gz DXUIZHSLGXWDHD-GWCFXTLKSA-N 2 1 235.331 1.087 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)[C@H]1CO ZINC001209728162 969579379 /nfs/dbraw/zinc/57/93/79/969579379.db2.gz DXUIZHSLGXWDHD-GWCFXTLKSA-N 2 1 235.331 1.087 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c[nH+]ccc1N ZINC001209724407 969582344 /nfs/dbraw/zinc/58/23/44/969582344.db2.gz ALAGPLCKEZWHDK-WDEREUQCSA-N 2 1 234.347 1.019 20 0 BDADMP COC[C@@H]1CCCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209730143 969588361 /nfs/dbraw/zinc/58/83/61/969588361.db2.gz TYKSRLMHGDYVOR-LBPRGKRZSA-N 2 1 235.331 1.495 20 0 BDADMP COC[C@@H]1CCCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209730143 969588369 /nfs/dbraw/zinc/58/83/69/969588369.db2.gz TYKSRLMHGDYVOR-LBPRGKRZSA-N 2 1 235.331 1.495 20 0 BDADMP C[N@@H+](C1CC1)[C@@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209732991 969594093 /nfs/dbraw/zinc/59/40/93/969594093.db2.gz OQJZZVZVJMCVCS-CYBMUJFWSA-N 2 1 246.358 1.163 20 0 BDADMP C[N@H+]1CCN(Cc2c[nH+]ccc2N)CC1(C)C ZINC001209736841 969599939 /nfs/dbraw/zinc/59/99/39/969599939.db2.gz JADUJIYAZNNOGL-UHFFFAOYSA-N 2 1 234.347 1.020 20 0 BDADMP C[C@H]1C[N@H+](Cc2c[nH+]ccc2N)C2(CC2)C1 ZINC001209737841 969600281 /nfs/dbraw/zinc/60/02/81/969600281.db2.gz RMRTYKDKYGVOIK-SNVBAGLBSA-N 2 1 217.316 1.869 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH+]ccc2N)C2(CC2)C1 ZINC001209737841 969600285 /nfs/dbraw/zinc/60/02/85/969600285.db2.gz RMRTYKDKYGVOIK-SNVBAGLBSA-N 2 1 217.316 1.869 20 0 BDADMP Cc1cnc(CC[NH3+])n1[C@H]1CCC[N@H+](C)CC1 ZINC001254499830 969648652 /nfs/dbraw/zinc/64/86/52/969648652.db2.gz BVGGIMRHZSIJSK-LBPRGKRZSA-N 2 1 236.363 1.350 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccc(C[NH3+])cc2=N)CC1 ZINC001254501820 969666831 /nfs/dbraw/zinc/66/68/31/969666831.db2.gz YMZCEHBPNPPPBT-LBPRGKRZSA-N 2 1 234.347 1.083 20 0 BDADMP COc1cccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)n1 ZINC001254509104 969679017 /nfs/dbraw/zinc/67/90/17/969679017.db2.gz WFURYUNXPGIHKY-LBPRGKRZSA-N 2 1 249.358 1.664 20 0 BDADMP COc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)n1 ZINC001254509104 969679021 /nfs/dbraw/zinc/67/90/21/969679021.db2.gz WFURYUNXPGIHKY-LBPRGKRZSA-N 2 1 249.358 1.664 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@H](CO)c2ccncc2)CC1 ZINC001254509329 969683820 /nfs/dbraw/zinc/68/38/20/969683820.db2.gz YXFGAMDVDCNXOJ-UONOGXRCSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H](CO)c2ccncc2)CC1 ZINC001254509329 969683831 /nfs/dbraw/zinc/68/38/31/969683831.db2.gz YXFGAMDVDCNXOJ-UONOGXRCSA-N 2 1 249.358 1.189 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254518580 969696955 /nfs/dbraw/zinc/69/69/55/969696955.db2.gz CBVOJMOBKDMJGQ-ZDUSSCGKSA-N 2 1 248.374 1.491 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@H]1CCC[N@H+](C)CC1)C2 ZINC001254518580 969696960 /nfs/dbraw/zinc/69/69/60/969696960.db2.gz CBVOJMOBKDMJGQ-ZDUSSCGKSA-N 2 1 248.374 1.491 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C3CC3)CC2)CC1 ZINC001254517270 969698738 /nfs/dbraw/zinc/69/87/38/969698738.db2.gz SUGUAXSWGXILPA-CYBMUJFWSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](C)CC1 ZINC001254517590 969700950 /nfs/dbraw/zinc/70/09/50/969700950.db2.gz WKKOUVYPIIKIJA-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](C)CC1 ZINC001254517590 969700955 /nfs/dbraw/zinc/70/09/55/969700955.db2.gz WKKOUVYPIIKIJA-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](C)CC1 ZINC001254517590 969700960 /nfs/dbraw/zinc/70/09/60/969700960.db2.gz WKKOUVYPIIKIJA-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254517590 969700967 /nfs/dbraw/zinc/70/09/67/969700967.db2.gz WKKOUVYPIIKIJA-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC[NH+](C)CC2)CC[N@H+]1C ZINC001254527507 969717341 /nfs/dbraw/zinc/71/73/41/969717341.db2.gz YSDPMVDUFYZQEU-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC[N@H+](C)CC2)CC[NH+]1C ZINC001254527507 969717346 /nfs/dbraw/zinc/71/73/46/969717346.db2.gz YSDPMVDUFYZQEU-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC[N@@H+](C)CC2)CC[NH+]1C ZINC001254527507 969717353 /nfs/dbraw/zinc/71/73/53/969717353.db2.gz YSDPMVDUFYZQEU-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001254529291 969727591 /nfs/dbraw/zinc/72/75/91/969727591.db2.gz LQOOGCWIFUJGDG-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001254529291 969727599 /nfs/dbraw/zinc/72/75/99/969727599.db2.gz LQOOGCWIFUJGDG-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001254529291 969727607 /nfs/dbraw/zinc/72/76/07/969727607.db2.gz LQOOGCWIFUJGDG-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001254529291 969727614 /nfs/dbraw/zinc/72/76/14/969727614.db2.gz LQOOGCWIFUJGDG-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCO1 ZINC001254529225 969732952 /nfs/dbraw/zinc/73/29/52/969732952.db2.gz LHMYHSPUPVYZSU-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(=O)Nc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169558991 969756875 /nfs/dbraw/zinc/75/68/75/969756875.db2.gz XEAPXKHOHLRQHS-LLVKDONJSA-N 2 1 248.330 1.594 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CC3CCN(CC3)C2)C1 ZINC001254833270 969796830 /nfs/dbraw/zinc/79/68/30/969796830.db2.gz OIMILGLZHUHYOW-BFHYXJOUSA-N 2 1 237.391 1.330 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254922201 969822595 /nfs/dbraw/zinc/82/25/95/969822595.db2.gz MZXRZATVEGTUFY-RYUDHWBXSA-N 2 1 247.342 1.539 20 0 BDADMP C[C@@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001210474723 969899188 /nfs/dbraw/zinc/89/91/88/969899188.db2.gz IKYPDLQEWNPWGY-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001210474723 969899193 /nfs/dbraw/zinc/89/91/93/969899193.db2.gz IKYPDLQEWNPWGY-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[NH2+][C@H]1CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001156661347 969971570 /nfs/dbraw/zinc/97/15/70/969971570.db2.gz WHSDXVZUWSTSLZ-CYBMUJFWSA-N 2 1 246.358 1.431 20 0 BDADMP C[NH2+][C@H]1CCN1c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001156661347 969971575 /nfs/dbraw/zinc/97/15/75/969971575.db2.gz WHSDXVZUWSTSLZ-CYBMUJFWSA-N 2 1 246.358 1.431 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCSC3)C2)C1 ZINC001255291722 970051912 /nfs/dbraw/zinc/05/19/12/970051912.db2.gz YCTUPOAODLFPAV-VXGBXAGGSA-N 2 1 226.389 1.520 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCSC3)C2)C1 ZINC001255291722 970051920 /nfs/dbraw/zinc/05/19/20/970051920.db2.gz YCTUPOAODLFPAV-VXGBXAGGSA-N 2 1 226.389 1.520 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCSC3)C2)C1 ZINC001255291722 970051932 /nfs/dbraw/zinc/05/19/32/970051932.db2.gz YCTUPOAODLFPAV-VXGBXAGGSA-N 2 1 226.389 1.520 20 0 BDADMP COc1cc[nH+]cc1N(C)C(C)(C)C[NH3+] ZINC001170058725 970109448 /nfs/dbraw/zinc/10/94/48/970109448.db2.gz BXDWYCDUTPZVCT-UHFFFAOYSA-N 2 1 209.293 1.264 20 0 BDADMP C[N@H+]1CC[C@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001255414527 970134916 /nfs/dbraw/zinc/13/49/16/970134916.db2.gz XPDRGBXXTCVHBA-JTQLQIEISA-N 2 1 230.315 1.372 20 0 BDADMP CC(C)N([C@H]1CC[N@@H+](C)C1)C(C)(C)C[NH3+] ZINC001255428493 970154337 /nfs/dbraw/zinc/15/43/37/970154337.db2.gz YOAYZPLWLHAFLO-NSHDSACASA-N 2 1 213.369 1.138 20 0 BDADMP CN1CC[C@H]2[C@@H]1CC[N@H+]2CC1CC[NH+](C)CC1 ZINC001276695349 970162185 /nfs/dbraw/zinc/16/21/85/970162185.db2.gz AEBRYAPYRFOOCB-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH2+]CCc1c(C)nn([C@@H]2CC[N@@H+](C)C2)c1C ZINC001255438473 970169437 /nfs/dbraw/zinc/16/94/37/970169437.db2.gz MOVQPLJYMGDZIP-GFCCVEGCSA-N 2 1 236.363 1.138 20 0 BDADMP CN1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001255438848 970170661 /nfs/dbraw/zinc/17/06/61/970170661.db2.gz PCUJHYSUAUJQDG-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+](C)CCC(C)(C)N[C@H]1CCC[N@H+](C)C1 ZINC001255472044 970201001 /nfs/dbraw/zinc/20/10/01/970201001.db2.gz MFTDMLFFTWETSX-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP C[NH+](C)CCC(C)(C)N[C@H]1CCC[N@@H+](C)C1 ZINC001255472044 970201008 /nfs/dbraw/zinc/20/10/08/970201008.db2.gz MFTDMLFFTWETSX-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001255490383 970245507 /nfs/dbraw/zinc/24/55/07/970245507.db2.gz VGCDZLJLVKEJHP-QWHCGFSZSA-N 2 1 248.374 1.617 20 0 BDADMP CC[N@H+](CCOC)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673510 970449992 /nfs/dbraw/zinc/44/99/92/970449992.db2.gz CHUNESZZCRSINR-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@@H+](CCOC)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673510 970449995 /nfs/dbraw/zinc/44/99/95/970449995.db2.gz CHUNESZZCRSINR-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CCOC)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673510 970450001 /nfs/dbraw/zinc/45/00/01/970450001.db2.gz CHUNESZZCRSINR-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CCOC)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673510 970450006 /nfs/dbraw/zinc/45/00/06/970450006.db2.gz CHUNESZZCRSINR-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H](Cc1ccccc1F)[NH2+]C1(C[NH3+])CC1 ZINC001255838259 970512621 /nfs/dbraw/zinc/51/26/21/970512621.db2.gz MVVVCCGFQPBFEM-JTQLQIEISA-N 2 1 222.307 1.838 20 0 BDADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1C1CCCCCC1 ZINC001255883597 970543898 /nfs/dbraw/zinc/54/38/98/970543898.db2.gz BEGBPCGSAFOUIL-LLVKDONJSA-N 2 1 237.347 1.641 20 0 BDADMP Cc1[nH]ncc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400434915 970590138 /nfs/dbraw/zinc/59/01/38/970590138.db2.gz MJBUPABXAANBOV-SECBINFHSA-N 2 1 222.336 1.196 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001255961166 970603965 /nfs/dbraw/zinc/60/39/65/970603965.db2.gz VIDJTWKTPBHRKS-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@H]1C[NH3+] ZINC000400565736 970604170 /nfs/dbraw/zinc/60/41/70/970604170.db2.gz NVHIDDVEIKNTEV-UPJWGTAASA-N 2 1 226.364 1.330 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001170235520 970611407 /nfs/dbraw/zinc/61/14/07/970611407.db2.gz MZYBPFXTWKDSOJ-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCO1 ZINC001170235520 970611416 /nfs/dbraw/zinc/61/14/16/970611416.db2.gz MZYBPFXTWKDSOJ-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCO1 ZINC001170235520 970611426 /nfs/dbraw/zinc/61/14/26/970611426.db2.gz MZYBPFXTWKDSOJ-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP F[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256068126 970637075 /nfs/dbraw/zinc/63/70/75/970637075.db2.gz WOFWNBLAHULLNX-XYPYZODXSA-N 2 1 226.339 1.951 20 0 BDADMP C[C@H]1COCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073650 970639682 /nfs/dbraw/zinc/63/96/82/970639682.db2.gz XWYVNWBDDWBAIG-GFCCVEGCSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1COCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073650 970639685 /nfs/dbraw/zinc/63/96/85/970639685.db2.gz XWYVNWBDDWBAIG-GFCCVEGCSA-N 2 1 238.375 1.582 20 0 BDADMP O[C@@H]1CCCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073366 970641668 /nfs/dbraw/zinc/64/16/68/970641668.db2.gz SQIGBPSYUUYLGK-CQSZACIVSA-N 2 1 238.375 1.460 20 0 BDADMP O[C@@H]1CCCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073366 970641676 /nfs/dbraw/zinc/64/16/76/970641676.db2.gz SQIGBPSYUUYLGK-CQSZACIVSA-N 2 1 238.375 1.460 20 0 BDADMP C[C@@H]1COCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073652 970643652 /nfs/dbraw/zinc/64/36/52/970643652.db2.gz XWYVNWBDDWBAIG-LBPRGKRZSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1COCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073652 970643658 /nfs/dbraw/zinc/64/36/58/970643658.db2.gz XWYVNWBDDWBAIG-LBPRGKRZSA-N 2 1 238.375 1.582 20 0 BDADMP OC[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073339 970644113 /nfs/dbraw/zinc/64/41/13/970644113.db2.gz RRNHOVJUMNSDIL-LBPRGKRZSA-N 2 1 238.375 1.318 20 0 BDADMP OC[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073339 970644124 /nfs/dbraw/zinc/64/41/24/970644124.db2.gz RRNHOVJUMNSDIL-LBPRGKRZSA-N 2 1 238.375 1.318 20 0 BDADMP Cc1cc2cc[nH+]c(NCC3C[NH+](C)C3)c2[nH]1 ZINC001170252878 970658785 /nfs/dbraw/zinc/65/87/85/970658785.db2.gz RLBCLOCJQAJJGO-UHFFFAOYSA-N 2 1 230.315 1.845 20 0 BDADMP Cc1cc(NCC2C[NH+](C)C2)c2[nH+]ccn2c1 ZINC001170254066 970658931 /nfs/dbraw/zinc/65/89/31/970658931.db2.gz GYUPXZXNTDXIJV-UHFFFAOYSA-N 2 1 230.315 1.616 20 0 BDADMP CCCC[N@@H+](CC)CCNC1CC[NH+](C)CC1 ZINC001256194789 970682470 /nfs/dbraw/zinc/68/24/70/970682470.db2.gz OWHVMJRDWTVTBC-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP CN1CCC([N@@H+](C)CCc2cccnc2)CC1 ZINC001256207854 970710981 /nfs/dbraw/zinc/71/09/81/970710981.db2.gz WKJZDXPUYVPMDQ-UHFFFAOYSA-N 2 1 233.359 1.650 20 0 BDADMP C[N@H+](CCc1cccnc1)C1CC[NH+](C)CC1 ZINC001256207854 970710997 /nfs/dbraw/zinc/71/09/97/970710997.db2.gz WKJZDXPUYVPMDQ-UHFFFAOYSA-N 2 1 233.359 1.650 20 0 BDADMP C[N@@H+](CCc1cccnc1)C1CC[NH+](C)CC1 ZINC001256207854 970711012 /nfs/dbraw/zinc/71/10/12/970711012.db2.gz WKJZDXPUYVPMDQ-UHFFFAOYSA-N 2 1 233.359 1.650 20 0 BDADMP CCO[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC001256207434 970712406 /nfs/dbraw/zinc/71/24/06/970712406.db2.gz JUNKWHZQLVFZBR-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256207434 970712414 /nfs/dbraw/zinc/71/24/14/970712414.db2.gz JUNKWHZQLVFZBR-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256207434 970712426 /nfs/dbraw/zinc/71/24/26/970712426.db2.gz JUNKWHZQLVFZBR-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CN1CCC([N@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001256207612 970714145 /nfs/dbraw/zinc/71/41/45/970714145.db2.gz OHOULISQPVBSRZ-SECBINFHSA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CCC(N2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001256207612 970714158 /nfs/dbraw/zinc/71/41/58/970714158.db2.gz OHOULISQPVBSRZ-SECBINFHSA-N 2 1 236.281 1.965 20 0 BDADMP C[C@H]1C[N@@H+](C2CCN(C)CC2)C2(CC2)C1 ZINC001256211029 970720667 /nfs/dbraw/zinc/72/06/67/970720667.db2.gz QESLHZWKCSUGDA-LLVKDONJSA-N 2 1 208.349 1.955 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[NH+](C)C ZINC000401836101 970736954 /nfs/dbraw/zinc/73/69/54/970736954.db2.gz DZVYPPUPGUJOAM-JQWIXIFHSA-N 2 1 236.363 1.574 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2cccc(F)n2)CC1 ZINC001222537452 972555522 /nfs/dbraw/zinc/55/55/22/972555522.db2.gz CNTXPWVUIPNNQF-UHFFFAOYSA-N 2 1 241.285 1.484 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542288 972568208 /nfs/dbraw/zinc/56/82/08/972568208.db2.gz JUBOINHMJSBREZ-KGLIPLIRSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246545407 972634943 /nfs/dbraw/zinc/63/49/43/972634943.db2.gz KMZBPBKWLQBBLF-AAEUAGOBSA-N 2 1 237.391 1.330 20 0 BDADMP c1nnc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC001327562253 972639618 /nfs/dbraw/zinc/63/96/18/972639618.db2.gz KKIWOSHTZMRBQC-VXGBXAGGSA-N 2 1 249.362 1.016 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246547437 972671947 /nfs/dbraw/zinc/67/19/47/972671947.db2.gz PQABBCIVICXZBW-NWDGAFQWSA-N 2 1 226.364 1.757 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246551778 972730650 /nfs/dbraw/zinc/73/06/50/972730650.db2.gz RCUMGIMYOBFREG-CHWSQXEVSA-N 2 1 244.354 1.708 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246553897 972743808 /nfs/dbraw/zinc/74/38/08/972743808.db2.gz TVHNJENLXVBIGG-RNJOBUHISA-N 2 1 208.349 1.988 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cncs1 ZINC001327841420 972754594 /nfs/dbraw/zinc/75/45/94/972754594.db2.gz WRKCZAXHSSIBPP-RKDXNWHRSA-N 2 1 213.350 1.792 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H](C)CC[C@H]2CN)CC1 ZINC001246561392 972791939 /nfs/dbraw/zinc/79/19/39/972791939.db2.gz WWYHEWPTJCMDFQ-RYSNWHEDSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCCOC2)CC1 ZINC001246577904 972895065 /nfs/dbraw/zinc/89/50/65/972895065.db2.gz QRLGLQOWLTVIHR-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP C[N@@H+]1CCC[C@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CC1 ZINC001246579615 972904797 /nfs/dbraw/zinc/90/47/97/972904797.db2.gz CKMYFRJNJRAQAF-QWRGUYRKSA-N 2 1 247.333 1.139 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CC1 ZINC001246579615 972904803 /nfs/dbraw/zinc/90/48/03/972904803.db2.gz CKMYFRJNJRAQAF-QWRGUYRKSA-N 2 1 247.333 1.139 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC(F)(F)[C@@H](N)C2)CC1 ZINC001246582904 972944734 /nfs/dbraw/zinc/94/47/34/972944734.db2.gz OSVDGHIDCDXHQX-ILDUYXDCSA-N 2 1 247.333 1.185 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246581080 972945386 /nfs/dbraw/zinc/94/53/86/972945386.db2.gz XQYLRRORUJOBMW-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246588512 972985808 /nfs/dbraw/zinc/98/58/08/972985808.db2.gz QJLNWZGGLYYZQX-XQQFMLRXSA-N 2 1 243.370 1.232 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H](C)C1 ZINC001246588364 972986663 /nfs/dbraw/zinc/98/66/63/972986663.db2.gz YZYVOICBZIUTPA-OFTGVCEQSA-N 2 1 226.364 1.063 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592580 972998670 /nfs/dbraw/zinc/99/86/70/972998670.db2.gz KOEIVQJJRLZAJY-ICIURTGMSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592580 972998680 /nfs/dbraw/zinc/99/86/80/972998680.db2.gz KOEIVQJJRLZAJY-ICIURTGMSA-N 3 1 237.391 1.330 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246640202 973059771 /nfs/dbraw/zinc/05/97/71/973059771.db2.gz BXMZQWLYNBFRAI-QWHCGFSZSA-N 3 1 237.391 1.202 20 0 BDADMP C[N@@H+](CC(C)(C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246799855 973100119 /nfs/dbraw/zinc/10/01/19/973100119.db2.gz PBIXWDHQYFBUTH-NSHDSACASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246857760 973168462 /nfs/dbraw/zinc/16/84/62/973168462.db2.gz BRJPVOBUMMIXQE-YIYPIFLZSA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246857760 973168489 /nfs/dbraw/zinc/16/84/89/973168489.db2.gz BRJPVOBUMMIXQE-YIYPIFLZSA-N 3 1 237.391 1.186 20 0 BDADMP Cc1cccc2c1CC[C@H]([N@@H+]1C[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246866626 973197675 /nfs/dbraw/zinc/19/76/75/973197675.db2.gz FYGBNYFTMSOATI-IJEWVQPXSA-N 2 1 242.366 1.885 20 0 BDADMP Cc1cccc2c1CC[C@H]([N@H+]1C[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246866626 973197690 /nfs/dbraw/zinc/19/76/90/973197690.db2.gz FYGBNYFTMSOATI-IJEWVQPXSA-N 2 1 242.366 1.885 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCC(F)(F)CC1)C2 ZINC001246871538 973244829 /nfs/dbraw/zinc/24/48/29/973244829.db2.gz QKYQHSYQQPEIEA-PSASIEDQSA-N 2 1 216.275 1.597 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCC(F)(F)CC1)C2 ZINC001246871538 973244847 /nfs/dbraw/zinc/24/48/47/973244847.db2.gz QKYQHSYQQPEIEA-PSASIEDQSA-N 2 1 216.275 1.597 20 0 BDADMP COC(=O)c1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC001328678909 973264426 /nfs/dbraw/zinc/26/44/26/973264426.db2.gz ZBDQAMDAVOFECD-CYBMUJFWSA-N 2 1 248.326 1.300 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H]1CCC[NH2+]C1 ZINC000720891294 973379488 /nfs/dbraw/zinc/37/94/88/973379488.db2.gz DZMJXKMQTVSACY-MGPQQGTHSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000720891294 973379491 /nfs/dbraw/zinc/37/94/91/973379491.db2.gz DZMJXKMQTVSACY-MGPQQGTHSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000720891294 973379499 /nfs/dbraw/zinc/37/94/99/973379499.db2.gz DZMJXKMQTVSACY-MGPQQGTHSA-N 2 1 237.391 1.155 20 0 BDADMP CC[N@@H+](C)C1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246948977 973683623 /nfs/dbraw/zinc/68/36/23/973683623.db2.gz HFVFKCFIWKGZRN-TZMCWYRMSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)C[N@@H+](C[C@H](C)N)CC1CC[NH+](C)CC1 ZINC001329376965 973719119 /nfs/dbraw/zinc/71/91/19/973719119.db2.gz WESCBBROUGUQCC-ZDUSSCGKSA-N 2 1 241.423 1.633 20 0 BDADMP C1=C2NCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)[C@@H]2CCC1 ZINC001246991472 973781817 /nfs/dbraw/zinc/78/18/17/973781817.db2.gz BAVRKVQZCGBKNJ-TZMCWYRMSA-N 2 1 247.386 1.470 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224700822 973867862 /nfs/dbraw/zinc/86/78/62/973867862.db2.gz BDPOERWZIGTRHR-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CC[C@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224700822 973867870 /nfs/dbraw/zinc/86/78/70/973867870.db2.gz BDPOERWZIGTRHR-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CC[C@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224700822 973867871 /nfs/dbraw/zinc/86/78/71/973867871.db2.gz BDPOERWZIGTRHR-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+]1CCC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224745133 973905548 /nfs/dbraw/zinc/90/55/48/973905548.db2.gz XEKLOHHSYGWOLH-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP c1cn2c([nH+]1)CC[C@H](OCCC[NH+]1CCCC1)C2 ZINC001224749804 973913528 /nfs/dbraw/zinc/91/35/28/973913528.db2.gz NGJAKTKLGPIUBQ-ZDUSSCGKSA-N 2 1 249.358 1.700 20 0 BDADMP CC[N@H+]1CC[C@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224819935 974003895 /nfs/dbraw/zinc/00/38/95/974003895.db2.gz QZLGPQIRGMXCQJ-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP CC[NH+]1CC[C@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224819935 974003908 /nfs/dbraw/zinc/00/39/08/974003908.db2.gz QZLGPQIRGMXCQJ-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP CC[NH+]1CC[C@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224819935 974003922 /nfs/dbraw/zinc/00/39/22/974003922.db2.gz QZLGPQIRGMXCQJ-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]C(C)C ZINC001171731894 974142886 /nfs/dbraw/zinc/14/28/86/974142886.db2.gz PVICGFKHPWMCBM-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP C[C@H]1C[C@H](N[C@@H]2C[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171732026 974143751 /nfs/dbraw/zinc/14/37/51/974143751.db2.gz GJOLVGBEXUVFTN-SPWCGHHHSA-N 2 1 245.370 1.339 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172098341 974336798 /nfs/dbraw/zinc/33/67/98/974336798.db2.gz CBNXOANEULJXOW-XDQVBPFNSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172098341 974336808 /nfs/dbraw/zinc/33/68/08/974336808.db2.gz CBNXOANEULJXOW-XDQVBPFNSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172098341 974336819 /nfs/dbraw/zinc/33/68/19/974336819.db2.gz CBNXOANEULJXOW-XDQVBPFNSA-N 2 1 237.391 1.295 20 0 BDADMP CCOCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099316 974340549 /nfs/dbraw/zinc/34/05/49/974340549.db2.gz HEAKSWQCPBISLZ-XYYAHUGASA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC[C@H]1F ZINC001206156217 974342184 /nfs/dbraw/zinc/34/21/84/974342184.db2.gz ORDZVKMPJTZBGO-RYMFRWLXSA-N 2 1 238.350 1.960 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC[C@H]1F ZINC001206156217 974342191 /nfs/dbraw/zinc/34/21/91/974342191.db2.gz ORDZVKMPJTZBGO-RYMFRWLXSA-N 2 1 238.350 1.960 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100480 974344548 /nfs/dbraw/zinc/34/45/48/974344548.db2.gz RGHTWCDQEWJELE-KVSVUVNWSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100480 974344557 /nfs/dbraw/zinc/34/45/57/974344557.db2.gz RGHTWCDQEWJELE-KVSVUVNWSA-N 2 1 208.349 2.000 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100835 974348201 /nfs/dbraw/zinc/34/82/01/974348201.db2.gz SOSOXBWQRFRLGA-YIYPIFLZSA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100835 974348210 /nfs/dbraw/zinc/34/82/10/974348210.db2.gz SOSOXBWQRFRLGA-YIYPIFLZSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@H+](CC1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125356 974353131 /nfs/dbraw/zinc/35/31/31/974353131.db2.gz PRUDIJFSILSARO-WDNDVIMCSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+](CC1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125356 974353136 /nfs/dbraw/zinc/35/31/36/974353136.db2.gz PRUDIJFSILSARO-WDNDVIMCSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](CC1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125356 974353145 /nfs/dbraw/zinc/35/31/45/974353145.db2.gz PRUDIJFSILSARO-WDNDVIMCSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](CC1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125356 974353151 /nfs/dbraw/zinc/35/31/51/974353151.db2.gz PRUDIJFSILSARO-WDNDVIMCSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+]1CC2(CN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001172132897 974355776 /nfs/dbraw/zinc/35/57/76/974355776.db2.gz PWKQNCIMJUODRV-WDNDVIMCSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172132897 974355780 /nfs/dbraw/zinc/35/57/80/974355780.db2.gz PWKQNCIMJUODRV-WDNDVIMCSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172132897 974355794 /nfs/dbraw/zinc/35/57/94/974355794.db2.gz PWKQNCIMJUODRV-WDNDVIMCSA-N 2 1 249.402 1.249 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCF)C2 ZINC001172102642 974359325 /nfs/dbraw/zinc/35/93/25/974359325.db2.gz NZXHJVGFNZDOBN-JGPRNRPPSA-N 2 1 200.301 1.561 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccnnc1)C2 ZINC001172107608 974367471 /nfs/dbraw/zinc/36/74/71/974367471.db2.gz IPZVVRHHXVZPQB-BTTYYORXSA-N 2 1 246.358 1.582 20 0 BDADMP C[C@H](CO)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104948 974368756 /nfs/dbraw/zinc/36/87/56/974368756.db2.gz GUXOYGLZGFKDEU-RVMXOQNASA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncnc1)C2 ZINC001172108062 974369837 /nfs/dbraw/zinc/36/98/37/974369837.db2.gz OSFTVZXEVQMFCN-ZSOGYDGISA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncnc1)C2 ZINC001172108062 974369843 /nfs/dbraw/zinc/36/98/43/974369843.db2.gz OSFTVZXEVQMFCN-ZSOGYDGISA-N 2 1 246.358 1.582 20 0 BDADMP C[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114696 974379231 /nfs/dbraw/zinc/37/92/31/974379231.db2.gz SIIUCMHNGYLTJW-BTTYYORXSA-N 2 1 237.391 1.249 20 0 BDADMP COC1(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CCC1 ZINC001330638446 974379570 /nfs/dbraw/zinc/37/95/70/974379570.db2.gz GJSJRAKYAFAULY-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP COCC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114298 974383771 /nfs/dbraw/zinc/38/37/71/974383771.db2.gz QBZMWPPKRHCANV-CLLJXQQHSA-N 2 1 226.364 1.580 20 0 BDADMP COCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114298 974383776 /nfs/dbraw/zinc/38/37/76/974383776.db2.gz QBZMWPPKRHCANV-CLLJXQQHSA-N 2 1 226.364 1.580 20 0 BDADMP COCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114298 974383783 /nfs/dbraw/zinc/38/37/83/974383783.db2.gz QBZMWPPKRHCANV-CLLJXQQHSA-N 2 1 226.364 1.580 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](O)C1)C2 ZINC001172113548 974386591 /nfs/dbraw/zinc/38/65/91/974386591.db2.gz KFTJJBGTELYBOU-MROQNXINSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](O)C1)C2 ZINC001172113548 974386595 /nfs/dbraw/zinc/38/65/95/974386595.db2.gz KFTJJBGTELYBOU-MROQNXINSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](O)C1)C2 ZINC001172113548 974386586 /nfs/dbraw/zinc/38/65/86/974386586.db2.gz KFTJJBGTELYBOU-MROQNXINSA-N 2 1 224.348 1.068 20 0 BDADMP [NH3+]CC1([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172199693 974483975 /nfs/dbraw/zinc/48/39/75/974483975.db2.gz DAFDBWNBULOWRD-LLVKDONJSA-N 2 1 234.368 1.784 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ncccc2O)CC[C@@H]1F ZINC001206163489 974490831 /nfs/dbraw/zinc/49/08/31/974490831.db2.gz CNPPSPRFOBONTI-UWVGGRQHSA-N 2 1 239.294 1.048 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC001331418835 974712300 /nfs/dbraw/zinc/71/23/00/974712300.db2.gz LELBFFIEWSYEIA-UTUOFQBUSA-N 3 1 213.369 1.105 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cccnc1C ZINC001331418558 974714030 /nfs/dbraw/zinc/71/40/30/974714030.db2.gz JWSXLSNCIJQALS-JTQLQIEISA-N 2 1 207.321 1.478 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172432004 974715118 /nfs/dbraw/zinc/71/51/18/974715118.db2.gz UGYZQIXKSPCSFL-LBPRGKRZSA-N 2 1 228.380 1.874 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1F ZINC001206167429 974887599 /nfs/dbraw/zinc/88/75/99/974887599.db2.gz YRSQEHKDABKONA-QWRGUYRKSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1F ZINC001206167429 974887604 /nfs/dbraw/zinc/88/76/04/974887604.db2.gz YRSQEHKDABKONA-QWRGUYRKSA-N 2 1 239.294 1.048 20 0 BDADMP CC1(C)CC([N@@H+]2CC[C@@H]([NH3+])C2)CC(C)(C)O1 ZINC001172643988 974893387 /nfs/dbraw/zinc/89/33/87/974893387.db2.gz IIWKUJIIUNOPND-SNVBAGLBSA-N 2 1 226.364 1.756 20 0 BDADMP CC1(C)CC([N@H+]2CC[C@@H]([NH3+])C2)CC(C)(C)O1 ZINC001172643988 974893391 /nfs/dbraw/zinc/89/33/91/974893391.db2.gz IIWKUJIIUNOPND-SNVBAGLBSA-N 2 1 226.364 1.756 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(O)cc3)C[C@H]2C1 ZINC001204098574 974926887 /nfs/dbraw/zinc/92/68/87/974926887.db2.gz HREFUCBIOVEPSE-OKILXGFUSA-N 2 1 246.354 1.776 20 0 BDADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC001204098574 974926891 /nfs/dbraw/zinc/92/68/91/974926891.db2.gz HREFUCBIOVEPSE-OKILXGFUSA-N 2 1 246.354 1.776 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC001204098574 974926899 /nfs/dbraw/zinc/92/68/99/974926899.db2.gz HREFUCBIOVEPSE-OKILXGFUSA-N 2 1 246.354 1.776 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC001204098574 974926903 /nfs/dbraw/zinc/92/69/03/974926903.db2.gz HREFUCBIOVEPSE-OKILXGFUSA-N 2 1 246.354 1.776 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC001204098574 974926907 /nfs/dbraw/zinc/92/69/07/974926907.db2.gz HREFUCBIOVEPSE-OKILXGFUSA-N 2 1 246.354 1.776 20 0 BDADMP CO[C@H]1CCC[C@H](n2c(C)c[nH+]c2CC[NH3+])C1 ZINC001172915051 974962496 /nfs/dbraw/zinc/96/24/96/974962496.db2.gz BHBHJMBYBUUXOP-RYUDHWBXSA-N 2 1 237.347 1.823 20 0 BDADMP CO[C@H]1CCC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001172941250 974998828 /nfs/dbraw/zinc/99/88/28/974998828.db2.gz DVPKXCJNPYXGKG-OLZOCXBDSA-N 2 1 249.358 1.699 20 0 BDADMP CO[C@H]1CCC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001172941250 974998831 /nfs/dbraw/zinc/99/88/31/974998831.db2.gz DVPKXCJNPYXGKG-OLZOCXBDSA-N 2 1 249.358 1.699 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173039090 975014638 /nfs/dbraw/zinc/01/46/38/975014638.db2.gz AZRLSKJDVIRPKD-LBPRGKRZSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173039090 975014643 /nfs/dbraw/zinc/01/46/43/975014643.db2.gz AZRLSKJDVIRPKD-LBPRGKRZSA-N 2 1 238.375 1.759 20 0 BDADMP C([N@H+]1CCCC2(CC[NH2+]CC2)C1)C12CC(C1)C[NH2+]2 ZINC001332314000 975051690 /nfs/dbraw/zinc/05/16/90/975051690.db2.gz PQQZETKNNROPFF-UHFFFAOYSA-N 3 1 249.402 1.204 20 0 BDADMP C(N1CCCC2(CC[NH2+]CC2)C1)C12CC(C1)C[NH2+]2 ZINC001332314000 975051697 /nfs/dbraw/zinc/05/16/97/975051697.db2.gz PQQZETKNNROPFF-UHFFFAOYSA-N 2 1 249.402 1.204 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCO1 ZINC001173174044 975053383 /nfs/dbraw/zinc/05/33/83/975053383.db2.gz AGCLPAVFCHFLSG-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC001173168607 975061042 /nfs/dbraw/zinc/06/10/42/975061042.db2.gz QCSREBZNIGJZRA-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]C1 ZINC001332338370 975062609 /nfs/dbraw/zinc/06/26/09/975062609.db2.gz CURGSCINSVJWIA-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C(C)(C)C)CC1 ZINC001332594700 975223708 /nfs/dbraw/zinc/22/37/08/975223708.db2.gz FWEJZKJCKVBVRR-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2ccc(OC)c(C[NH3+])c2)C1 ZINC001173356499 975316144 /nfs/dbraw/zinc/31/61/44/975316144.db2.gz FETRVZDCYKSWOA-CYBMUJFWSA-N 2 1 249.358 1.660 20 0 BDADMP CC[N@H+]1CC[C@@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001173356144 975316602 /nfs/dbraw/zinc/31/66/02/975316602.db2.gz BDGCSCLCHYWKRE-CYBMUJFWSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001173365930 975344046 /nfs/dbraw/zinc/34/40/46/975344046.db2.gz SGWADYJSFXHAAF-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001173365930 975344055 /nfs/dbraw/zinc/34/40/55/975344055.db2.gz SGWADYJSFXHAAF-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001173365930 975344067 /nfs/dbraw/zinc/34/40/67/975344067.db2.gz SGWADYJSFXHAAF-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CC[C@@H](N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC001173371175 975359733 /nfs/dbraw/zinc/35/97/33/975359733.db2.gz KSRMAJISOVJJOE-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP CC[NH+]1CC[C@@H](N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC001173371175 975359739 /nfs/dbraw/zinc/35/97/39/975359739.db2.gz KSRMAJISOVJJOE-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP CC[NH+]1CC[C@@H](N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC001173371175 975359746 /nfs/dbraw/zinc/35/97/46/975359746.db2.gz KSRMAJISOVJJOE-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC001333559073 975850250 /nfs/dbraw/zinc/85/02/50/975850250.db2.gz NHWJKEYMIHFYDL-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP CNc1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)nc[nH+]1 ZINC001333657806 975940847 /nfs/dbraw/zinc/94/08/47/975940847.db2.gz JBYPIBFFEYCARM-WDEREUQCSA-N 2 1 249.362 1.803 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccon3)C[C@@H]2C1 ZINC001333891622 976144047 /nfs/dbraw/zinc/14/40/47/976144047.db2.gz MIIIYJYMBBJDKT-MBNYWOFBSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335290442 976934835 /nfs/dbraw/zinc/93/48/35/976934835.db2.gz WUUJDKNPYJNENW-NWDGAFQWSA-N 2 1 234.347 1.068 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001335369386 977005064 /nfs/dbraw/zinc/00/50/64/977005064.db2.gz VMUOFBNNZBORRO-ZIAGYGMSSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1cc(NC(=O)C[N@H+](C)C2CCC2)cc(C)n1 ZINC001335406232 977034302 /nfs/dbraw/zinc/03/43/02/977034302.db2.gz GATTXWKLOPMSLW-UHFFFAOYSA-N 2 1 247.342 1.543 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335428039 977049369 /nfs/dbraw/zinc/04/93/69/977049369.db2.gz ATQFONHLUXGEKY-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CC2)C1(C)C ZINC001335469589 977077970 /nfs/dbraw/zinc/07/79/70/977077970.db2.gz NSQQIWKXBVMAFR-SDDRHHMPSA-N 2 1 226.364 1.076 20 0 BDADMP CN(C)c1cc(NC2=CCC[N@@H+](C)C2)cc[nH+]1 ZINC001175576085 977577897 /nfs/dbraw/zinc/57/78/97/977577897.db2.gz DNLJPHFABJSYIO-UHFFFAOYSA-N 2 1 232.331 1.779 20 0 BDADMP OC[C@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011494 977841530 /nfs/dbraw/zinc/84/15/30/977841530.db2.gz DNVOJJSFYSMRFB-GFCCVEGCSA-N 2 1 231.299 1.520 20 0 BDADMP C[N@H+](Cc1cnsc1)CC1CC[NH+](C)CC1 ZINC001232226231 977954730 /nfs/dbraw/zinc/95/47/30/977954730.db2.gz BIHBVURNBDFVOQ-UHFFFAOYSA-N 2 1 239.388 1.917 20 0 BDADMP Cc1nccc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)n1 ZINC001336874868 978018503 /nfs/dbraw/zinc/01/85/03/978018503.db2.gz YXPUVGNBMMTPEX-SDDRHHMPSA-N 2 1 232.331 1.537 20 0 BDADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1 ZINC001277693014 978207290 /nfs/dbraw/zinc/20/72/90/978207290.db2.gz BKYYXIQLHFVUEY-RYUDHWBXSA-N 2 1 203.289 1.364 20 0 BDADMP C[N@@H+]1CCO[C@]2(CCCN(c3cc[nH+]cc3)C2)C1 ZINC001277694714 978209673 /nfs/dbraw/zinc/20/96/73/978209673.db2.gz UJQAWFCWECPJTR-CQSZACIVSA-N 2 1 247.342 1.383 20 0 BDADMP C[N@H+]1CCO[C@]2(CCCN(c3cc[nH+]cc3)C2)C1 ZINC001277694714 978209681 /nfs/dbraw/zinc/20/96/81/978209681.db2.gz UJQAWFCWECPJTR-CQSZACIVSA-N 2 1 247.342 1.383 20 0 BDADMP C[NH+](C)CCCOC1C[NH+](Cc2ccccc2)C1 ZINC001206285603 978220826 /nfs/dbraw/zinc/22/08/26/978220826.db2.gz FDIRUKHMYKOPCX-UHFFFAOYSA-N 2 1 248.370 1.839 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001206295665 978297698 /nfs/dbraw/zinc/29/76/98/978297698.db2.gz MVGFZMGMTXCDMI-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001338491140 978695232 /nfs/dbraw/zinc/69/52/32/978695232.db2.gz FHTXRBVIIAXTDS-AAEUAGOBSA-N 2 1 240.391 1.467 20 0 BDADMP [NH3+][C@H]1C[C@H](F)CN(Cc2[nH+]cc3ccccn32)C1 ZINC001206414905 978848148 /nfs/dbraw/zinc/84/81/48/978848148.db2.gz RUNADKDPHFXILM-QWRGUYRKSA-N 2 1 248.305 1.205 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1CCNc1cc[nH+]c(N)n1 ZINC001339577682 978874437 /nfs/dbraw/zinc/87/44/37/978874437.db2.gz GVXXWBAMTKIUHU-LLVKDONJSA-N 2 1 249.362 1.735 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]c(N)n1 ZINC001339577682 978874440 /nfs/dbraw/zinc/87/44/40/978874440.db2.gz GVXXWBAMTKIUHU-LLVKDONJSA-N 2 1 249.362 1.735 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c(C)[nH+]1 ZINC001234653737 978890922 /nfs/dbraw/zinc/89/09/22/978890922.db2.gz BWQYDLIKHTWAPL-OCCSQVGLSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)c(C)[nH+]1 ZINC001234653737 978890923 /nfs/dbraw/zinc/89/09/23/978890923.db2.gz BWQYDLIKHTWAPL-OCCSQVGLSA-N 2 1 248.374 1.553 20 0 BDADMP CCC[C@H](C)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234981561 978942096 /nfs/dbraw/zinc/94/20/96/978942096.db2.gz OHGOMNOOOPYPHN-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP CC(C)(C)CCN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234981593 978943249 /nfs/dbraw/zinc/94/32/49/978943249.db2.gz OTWGLJYDTHNKDF-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP Cc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235050011 978962607 /nfs/dbraw/zinc/96/26/07/978962607.db2.gz BFHCUZAOWJMOHH-HNNXBMFYSA-N 2 1 245.370 1.132 20 0 BDADMP Cc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235050011 978962610 /nfs/dbraw/zinc/96/26/10/978962610.db2.gz BFHCUZAOWJMOHH-HNNXBMFYSA-N 2 1 245.370 1.132 20 0 BDADMP CCc1[nH]c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(C)[nH+]1 ZINC001235165303 978985481 /nfs/dbraw/zinc/98/54/81/978985481.db2.gz ILTWMDDSPTWTNG-GXFFZTMASA-N 2 1 234.347 1.204 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209816 978996387 /nfs/dbraw/zinc/99/63/87/978996387.db2.gz RAJYQGIREMAVHY-JARUQAPTSA-N 2 1 232.371 1.882 20 0 BDADMP OCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348596 979031584 /nfs/dbraw/zinc/03/15/84/979031584.db2.gz HJHPJOSIOWOBJC-HUUCEWRRSA-N 2 1 246.354 1.058 20 0 BDADMP [NH3+]C1([C@@H]2C[N@@H+](CCCCCO)C[C@H]2CF)CC1 ZINC001235398395 979035655 /nfs/dbraw/zinc/03/56/55/979035655.db2.gz VIISTFYDAOVAGE-VXGBXAGGSA-N 2 1 244.354 1.158 20 0 BDADMP OCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400443 979035765 /nfs/dbraw/zinc/03/57/65/979035765.db2.gz CZEYOMUXEVVLRL-QWHCGFSZSA-N 2 1 244.354 1.173 20 0 BDADMP C[N@@H+](C[C@@H](N)c1ccccc1)CC1CC[NH2+]CC1 ZINC001235433637 979044180 /nfs/dbraw/zinc/04/41/80/979044180.db2.gz NTTDTJNYBSYHMG-OAHLLOKOSA-N 2 1 247.386 1.618 20 0 BDADMP CN(C[C@@H]([NH3+])c1ccccc1)CC1CC[NH2+]CC1 ZINC001235433637 979044182 /nfs/dbraw/zinc/04/41/82/979044182.db2.gz NTTDTJNYBSYHMG-OAHLLOKOSA-N 2 1 247.386 1.618 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001235554320 979100517 /nfs/dbraw/zinc/10/05/17/979100517.db2.gz ICGOJXZHUZBCFI-LSDHHAIUSA-N 2 1 248.370 1.403 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CNC(C)(C)O2)[C@H]1C ZINC001235695617 979125080 /nfs/dbraw/zinc/12/50/80/979125080.db2.gz XEHPZWFDADTZQN-SRVKXCTJSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1C ZINC001235695617 979125085 /nfs/dbraw/zinc/12/50/85/979125085.db2.gz XEHPZWFDADTZQN-SRVKXCTJSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1C ZINC001235695617 979125092 /nfs/dbraw/zinc/12/50/92/979125092.db2.gz XEHPZWFDADTZQN-SRVKXCTJSA-N 2 1 226.364 1.831 20 0 BDADMP C(C[N@H+]1CCCC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001235711137 979129151 /nfs/dbraw/zinc/12/91/51/979129151.db2.gz KJLAGXANXSNUNM-CYBMUJFWSA-N 3 1 237.391 1.062 20 0 BDADMP C(CN1CCCC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001235711137 979129158 /nfs/dbraw/zinc/12/91/58/979129158.db2.gz KJLAGXANXSNUNM-CYBMUJFWSA-N 2 1 237.391 1.062 20 0 BDADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC[NH3+] ZINC001235713010 979130995 /nfs/dbraw/zinc/13/09/95/979130995.db2.gz VNCDPZVBDKUEDT-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CC[C@@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235768297 979145940 /nfs/dbraw/zinc/14/59/40/979145940.db2.gz FNGPUUVEVCPTGR-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC001235768297 979145948 /nfs/dbraw/zinc/14/59/48/979145948.db2.gz FNGPUUVEVCPTGR-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2ccncc2C1 ZINC001235839540 979169550 /nfs/dbraw/zinc/16/95/50/979169550.db2.gz DLLKFSIMHMCZFB-UHFFFAOYSA-N 2 1 205.305 1.179 20 0 BDADMP [NH3+]CCCC[N@H+]1CCNC[C@H]1Cc1ccccc1 ZINC001235847375 979169914 /nfs/dbraw/zinc/16/99/14/979169914.db2.gz HFZWCVNSUUFBCD-OAHLLOKOSA-N 2 1 247.386 1.242 20 0 BDADMP [NH3+]CCCCN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235847375 979169919 /nfs/dbraw/zinc/16/99/19/979169919.db2.gz HFZWCVNSUUFBCD-OAHLLOKOSA-N 2 1 247.386 1.242 20 0 BDADMP c1ccc([C@@H]2C[N@@H+](CCC3C[NH2+]C3)CCN2)cc1 ZINC001235860848 979173817 /nfs/dbraw/zinc/17/38/17/979173817.db2.gz XNVIXPTXJKKVKD-HNNXBMFYSA-N 2 1 245.370 1.242 20 0 BDADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC001235892321 979183521 /nfs/dbraw/zinc/18/35/21/979183521.db2.gz PEYLVBHQGUNHCF-DGCLKSJQSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC001235892321 979183526 /nfs/dbraw/zinc/18/35/26/979183526.db2.gz PEYLVBHQGUNHCF-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H](N)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235892321 979183528 /nfs/dbraw/zinc/18/35/28/979183528.db2.gz PEYLVBHQGUNHCF-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H](N)C[N@H+]1CCC1CC[NH2+]CC1 ZINC001235892321 979183530 /nfs/dbraw/zinc/18/35/30/979183530.db2.gz PEYLVBHQGUNHCF-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929300 979211738 /nfs/dbraw/zinc/21/17/38/979211738.db2.gz KWNAZKGRRNWQNV-MELADBBJSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929300 979211745 /nfs/dbraw/zinc/21/17/45/979211745.db2.gz KWNAZKGRRNWQNV-MELADBBJSA-N 3 1 237.391 1.060 20 0 BDADMP CC(C)[N@H+](CC[NH3+])Cc1ccc2c(c1)CCN2 ZINC001235947689 979221629 /nfs/dbraw/zinc/22/16/29/979221629.db2.gz OENQDFHWICBLNE-UHFFFAOYSA-N 2 1 233.359 1.824 20 0 BDADMP CC(C)[N@@H+](CC[NH3+])Cc1ccc2c(c1)CCN2 ZINC001235947689 979221636 /nfs/dbraw/zinc/22/16/36/979221636.db2.gz OENQDFHWICBLNE-UHFFFAOYSA-N 2 1 233.359 1.824 20 0 BDADMP C[N@H+](CC1CCCC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235958628 979228648 /nfs/dbraw/zinc/22/86/48/979228648.db2.gz NWWJBHWFTVJWJW-LBPRGKRZSA-N 2 1 226.364 1.833 20 0 BDADMP C[N@@H+](CC1CCCC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235958628 979228665 /nfs/dbraw/zinc/22/86/65/979228665.db2.gz NWWJBHWFTVJWJW-LBPRGKRZSA-N 2 1 226.364 1.833 20 0 BDADMP C[N@@H+](CCCC[NH3+])Cc1nc2ccccc2o1 ZINC001235961598 979232666 /nfs/dbraw/zinc/23/26/66/979232666.db2.gz FJAQUWNWMCJLHO-UHFFFAOYSA-N 2 1 233.315 1.999 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC001235980496 979238110 /nfs/dbraw/zinc/23/81/10/979238110.db2.gz PRVNLFAJTBQILH-UTUOFQBUSA-N 2 1 208.305 1.102 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC001235980496 979238123 /nfs/dbraw/zinc/23/81/23/979238123.db2.gz PRVNLFAJTBQILH-UTUOFQBUSA-N 2 1 208.305 1.102 20 0 BDADMP OCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975883 979239570 /nfs/dbraw/zinc/23/95/70/979239570.db2.gz XWPDPFXHRDKORE-UHFFFAOYSA-N 2 1 246.354 1.116 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CC1Cc3ccccc3C1)C2 ZINC001235976995 979246194 /nfs/dbraw/zinc/24/61/94/979246194.db2.gz DTBYRWSXZQNMCH-HOTGVXAUSA-N 2 1 242.366 1.825 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC001235979921 979250673 /nfs/dbraw/zinc/25/06/73/979250673.db2.gz OGZJPHMCEQNCEG-UONOGXRCSA-N 2 1 216.328 1.652 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC001235979921 979250681 /nfs/dbraw/zinc/25/06/81/979250681.db2.gz OGZJPHMCEQNCEG-UONOGXRCSA-N 2 1 216.328 1.652 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001235986114 979265956 /nfs/dbraw/zinc/26/59/56/979265956.db2.gz NULINPGWICZIIL-GFCCVEGCSA-N 2 1 212.337 1.228 20 0 BDADMP COC1CCC(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001236014567 979301445 /nfs/dbraw/zinc/30/14/45/979301445.db2.gz HVQGCKBNDUPMJT-MVKMKZAISA-N 2 1 224.348 1.225 20 0 BDADMP COC1CCC(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001236014567 979301454 /nfs/dbraw/zinc/30/14/54/979301454.db2.gz HVQGCKBNDUPMJT-MVKMKZAISA-N 2 1 224.348 1.225 20 0 BDADMP Cc1cc(C)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206463872 979323197 /nfs/dbraw/zinc/32/31/97/979323197.db2.gz FXAKGWOWIJGMQQ-UONOGXRCSA-N 2 1 234.343 1.055 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@@H+](CCCC[NH3+])C1 ZINC001236043212 979332558 /nfs/dbraw/zinc/33/25/58/979332558.db2.gz VSTGHLMYXAJNKY-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001236043973 979340162 /nfs/dbraw/zinc/34/01/62/979340162.db2.gz HHANUNQMWIRZMF-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001236043973 979340179 /nfs/dbraw/zinc/34/01/79/979340179.db2.gz HHANUNQMWIRZMF-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001236060890 979351378 /nfs/dbraw/zinc/35/13/78/979351378.db2.gz SSJIUZJSPFMXOR-DOMZBBRYSA-N 2 1 245.370 1.249 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001236060890 979351389 /nfs/dbraw/zinc/35/13/89/979351389.db2.gz SSJIUZJSPFMXOR-DOMZBBRYSA-N 2 1 245.370 1.249 20 0 BDADMP Cc1nnc([C@H]2CCC[N@@H+](CCCC[NH3+])C2)o1 ZINC001236098975 979388081 /nfs/dbraw/zinc/38/80/81/979388081.db2.gz WBEKVHMOIPAXQL-NSHDSACASA-N 2 1 238.335 1.296 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C)N1CC1(C)CC[NH2+]CC1 ZINC001236105344 979395557 /nfs/dbraw/zinc/39/55/57/979395557.db2.gz YXXOCIPLDICONL-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CCCC[C@H]1C[N@H+](CCCCCC[NH3+])CCN1 ZINC001236134534 979401807 /nfs/dbraw/zinc/40/18/07/979401807.db2.gz FNMAERXELGYGMU-AWEZNQCLSA-N 2 1 241.423 1.970 20 0 BDADMP CCCC[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1 ZINC001236134534 979401824 /nfs/dbraw/zinc/40/18/24/979401824.db2.gz FNMAERXELGYGMU-AWEZNQCLSA-N 2 1 241.423 1.970 20 0 BDADMP CCCC[C@H]1C[N@H+](CC23CC([NH3+])(C2)C3)CCN1 ZINC001236134503 979405652 /nfs/dbraw/zinc/40/56/52/979405652.db2.gz DKUNHDADEVIBAS-HSBZDZAISA-N 2 1 237.391 1.332 20 0 BDADMP CCCC[C@H]1C[N@@H+](CC23CC([NH3+])(C2)C3)CCN1 ZINC001236134503 979405660 /nfs/dbraw/zinc/40/56/60/979405660.db2.gz DKUNHDADEVIBAS-HSBZDZAISA-N 2 1 237.391 1.332 20 0 BDADMP CC(C)N(C)[C@@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001236207507 979449843 /nfs/dbraw/zinc/44/98/43/979449843.db2.gz BHEGJYALPMBPBR-GFCCVEGCSA-N 2 1 213.369 1.140 20 0 BDADMP CC(C)[N@H+](C)[C@@H]1CCN(CCCC[NH3+])C1 ZINC001236207507 979449846 /nfs/dbraw/zinc/44/98/46/979449846.db2.gz BHEGJYALPMBPBR-GFCCVEGCSA-N 2 1 213.369 1.140 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN(CCCC[NH3+])C1 ZINC001236207507 979449850 /nfs/dbraw/zinc/44/98/50/979449850.db2.gz BHEGJYALPMBPBR-GFCCVEGCSA-N 2 1 213.369 1.140 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1N ZINC001236214210 979452971 /nfs/dbraw/zinc/45/29/71/979452971.db2.gz RHJBCBZXQNYHAU-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP CN(CCC1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214210 979452977 /nfs/dbraw/zinc/45/29/77/979452977.db2.gz RHJBCBZXQNYHAU-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314178 979523750 /nfs/dbraw/zinc/52/37/50/979523750.db2.gz JOEQXDDKJFUGTH-FVCCEPFGSA-N 2 1 208.349 1.574 20 0 BDADMP CCn1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236316415 979527625 /nfs/dbraw/zinc/52/76/25/979527625.db2.gz SDPRDYANJKCXJD-OKILXGFUSA-N 2 1 248.374 1.334 20 0 BDADMP c1coc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236320607 979531113 /nfs/dbraw/zinc/53/11/13/979531113.db2.gz RJAXTSGWPDZDTR-PHIMTYICSA-N 2 1 221.304 1.106 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236336574 979535214 /nfs/dbraw/zinc/53/52/14/979535214.db2.gz SCZBKGSYBYWNPJ-NSHDSACASA-N 2 1 233.359 1.795 20 0 BDADMP Nc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001236354809 979550426 /nfs/dbraw/zinc/55/04/26/979550426.db2.gz LRAGIDVUCZQUSE-UHFFFAOYSA-N 2 1 245.370 1.627 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001236421631 979593301 /nfs/dbraw/zinc/59/33/01/979593301.db2.gz VYBYFJWMBNWCLK-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2c1CCN2 ZINC001236421631 979593306 /nfs/dbraw/zinc/59/33/06/979593306.db2.gz VYBYFJWMBNWCLK-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP CC[N@H+](C)C1CC[NH+](CCCCO)CC1 ZINC001236459728 979604002 /nfs/dbraw/zinc/60/40/02/979604002.db2.gz DKXWONKPTWIVDU-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CCCCO)CC1 ZINC001236459728 979604005 /nfs/dbraw/zinc/60/40/05/979604005.db2.gz DKXWONKPTWIVDU-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP CCNCC[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551748 979634958 /nfs/dbraw/zinc/63/49/58/979634958.db2.gz MRCDAGULIWCOFR-HDJSIYSDSA-N 2 1 239.407 1.578 20 0 BDADMP CCNCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551748 979634965 /nfs/dbraw/zinc/63/49/65/979634965.db2.gz MRCDAGULIWCOFR-HDJSIYSDSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCO)C2CCCC2)CC1 ZINC001236566545 979637721 /nfs/dbraw/zinc/63/77/21/979637721.db2.gz KHUOGZHPPBSSBV-AULYBMBSSA-N 2 1 226.364 1.493 20 0 BDADMP C[C@H](N)C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572961 979638605 /nfs/dbraw/zinc/63/86/05/979638605.db2.gz XXMOGGNTXDCPKM-GVXVVHGQSA-N 2 1 225.380 1.458 20 0 BDADMP C[C@@H](N)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567750 979639877 /nfs/dbraw/zinc/63/98/77/979639877.db2.gz ZJSRKLYCHUHKDJ-YRGRVCCFSA-N 2 1 239.407 1.848 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCO)C2CCCC2)CC1 ZINC001236566093 979640510 /nfs/dbraw/zinc/64/05/10/979640510.db2.gz BLSFKWMBKPYNEV-MQMHXKEQSA-N 2 1 240.391 1.883 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@H](C)N1 ZINC001236576131 979646665 /nfs/dbraw/zinc/64/66/65/979646665.db2.gz BUDMKOWUIPKQSD-BETUJISGSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)C[C@H](C)N1 ZINC001236576131 979646673 /nfs/dbraw/zinc/64/66/73/979646673.db2.gz BUDMKOWUIPKQSD-BETUJISGSA-N 2 1 239.407 1.401 20 0 BDADMP COCOCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255707 979736858 /nfs/dbraw/zinc/73/68/58/979736858.db2.gz KJSBSQKKYRHAMT-LBPRGKRZSA-N 2 1 230.352 1.200 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCC1CCOCC1 ZINC001236859845 979766253 /nfs/dbraw/zinc/76/62/53/979766253.db2.gz NOXZRHKZKXLCAR-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP CCN1CC[N@@H+](CCCC[NH3+])C(C)(C)C1 ZINC001237037181 979807025 /nfs/dbraw/zinc/80/70/25/979807025.db2.gz GNMNGEPZGUUZBH-UHFFFAOYSA-N 2 1 213.369 1.141 20 0 BDADMP CC[N@@H+]1CCN(CCCC[NH3+])C(C)(C)C1 ZINC001237037181 979807034 /nfs/dbraw/zinc/80/70/34/979807034.db2.gz GNMNGEPZGUUZBH-UHFFFAOYSA-N 2 1 213.369 1.141 20 0 BDADMP CC[N@H+]1CCN(CCCC[NH3+])C(C)(C)C1 ZINC001237037181 979807036 /nfs/dbraw/zinc/80/70/36/979807036.db2.gz GNMNGEPZGUUZBH-UHFFFAOYSA-N 2 1 213.369 1.141 20 0 BDADMP C[C@H]([NH3+])C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001237036793 979807535 /nfs/dbraw/zinc/80/75/35/979807535.db2.gz CLMSVISNZMYZHJ-IHRRRGAJSA-N 2 1 245.370 1.402 20 0 BDADMP COc1cncc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205266989 979823557 /nfs/dbraw/zinc/82/35/57/979823557.db2.gz ZKYFLUYNUDHJET-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cncc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205266989 979823559 /nfs/dbraw/zinc/82/35/59/979823559.db2.gz ZKYFLUYNUDHJET-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273469 979838250 /nfs/dbraw/zinc/83/82/50/979838250.db2.gz LPCARZYIPCRVCE-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273469 979838255 /nfs/dbraw/zinc/83/82/55/979838255.db2.gz LPCARZYIPCRVCE-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP C[C@H]1C(=O)CC[N@@H+](CCCC[NH3+])C12CCCC2 ZINC001237190734 979840263 /nfs/dbraw/zinc/84/02/63/979840263.db2.gz IBVSVHRIDXAADU-LBPRGKRZSA-N 2 1 238.375 1.949 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237374716 979877373 /nfs/dbraw/zinc/87/73/73/979877373.db2.gz IMGACBUIEOJYCA-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237374716 979877380 /nfs/dbraw/zinc/87/73/80/979877380.db2.gz IMGACBUIEOJYCA-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237384318 979883591 /nfs/dbraw/zinc/88/35/91/979883591.db2.gz VRNGSRHYNJOGMC-RYUDHWBXSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)[nH]1 ZINC001205288750 979925530 /nfs/dbraw/zinc/92/55/30/979925530.db2.gz OBAFBZSQHUCFHY-CYBMUJFWSA-N 2 1 236.363 1.730 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC001205317986 980153241 /nfs/dbraw/zinc/15/32/41/980153241.db2.gz RKMOUOKOQSJBOR-IUODEOHRSA-N 2 1 247.386 1.562 20 0 BDADMP C[C@@H]1CCN(Cc2cccc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC001205317986 980153250 /nfs/dbraw/zinc/15/32/50/980153250.db2.gz RKMOUOKOQSJBOR-IUODEOHRSA-N 2 1 247.386 1.562 20 0 BDADMP O[C@H]1CCC[N@@H+](Cc2cccc3cncn32)C1 ZINC001238104666 980154094 /nfs/dbraw/zinc/15/40/94/980154094.db2.gz YNBQMXNWAOARCW-ZDUSSCGKSA-N 2 1 231.299 1.291 20 0 BDADMP O[C@H]1CCCN(Cc2cccc3c[nH+]cn32)C1 ZINC001238104666 980154098 /nfs/dbraw/zinc/15/40/98/980154098.db2.gz YNBQMXNWAOARCW-ZDUSSCGKSA-N 2 1 231.299 1.291 20 0 BDADMP OC[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112145 980162268 /nfs/dbraw/zinc/16/22/68/980162268.db2.gz BMVANVGLZYUKQI-NSHDSACASA-N 2 1 231.299 1.149 20 0 BDADMP OC[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112145 980162278 /nfs/dbraw/zinc/16/22/78/980162278.db2.gz BMVANVGLZYUKQI-NSHDSACASA-N 2 1 231.299 1.149 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238119678 980168303 /nfs/dbraw/zinc/16/83/03/980168303.db2.gz PURKOVLQXYCIFM-SMDDNHRTSA-N 2 1 245.326 1.680 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238119678 980168308 /nfs/dbraw/zinc/16/83/08/980168308.db2.gz PURKOVLQXYCIFM-SMDDNHRTSA-N 2 1 245.326 1.680 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001345101209 980547225 /nfs/dbraw/zinc/54/72/25/980547225.db2.gz ZYINLCTURRVEFK-NSHDSACASA-N 2 1 238.379 1.726 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccccn1 ZINC001345481556 980619025 /nfs/dbraw/zinc/61/90/25/980619025.db2.gz CXRRMHALUIBXAV-GHMZBOCLSA-N 2 1 207.321 1.730 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001346190623 980780226 /nfs/dbraw/zinc/78/02/26/980780226.db2.gz HZJFYOWZRCFOGG-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000722691764 980903927 /nfs/dbraw/zinc/90/39/27/980903927.db2.gz ITGJVNYEATWJFL-LPWJVIDDSA-N 2 1 208.349 1.716 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC001205546009 980944619 /nfs/dbraw/zinc/94/46/19/980944619.db2.gz OQIWTUNJQJHERJ-CHWSQXEVSA-N 2 1 242.338 1.832 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@](C)(O)C2)[nH]1 ZINC001203236945 981002436 /nfs/dbraw/zinc/00/24/36/981002436.db2.gz UESJYPPNBQCQLD-LBPRGKRZSA-N 2 1 223.320 1.237 20 0 BDADMP [NH3+][C@H](c1noc(CC2([NH3+])CC2)n1)c1ccccc1 ZINC001347177919 981004158 /nfs/dbraw/zinc/00/41/58/981004158.db2.gz KOIPJCUXPRSNRZ-NSHDSACASA-N 2 1 244.298 1.152 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cn[nH]c2)CC[C@@H]1C[NH3+] ZINC001205601364 981159985 /nfs/dbraw/zinc/15/99/85/981159985.db2.gz DWEOKYCKCCLERH-CMPLNLGQSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC001205603543 981174918 /nfs/dbraw/zinc/17/49/18/981174918.db2.gz PZVIIMAQOTVHTH-WCQYABFASA-N 2 1 236.363 1.227 20 0 BDADMP CC(C)[NH2+]C1CCN(c2cc(N)[nH+]cn2)CC1 ZINC001347981306 981234055 /nfs/dbraw/zinc/23/40/55/981234055.db2.gz OMAORFLVBNPPAJ-UHFFFAOYSA-N 2 1 235.335 1.026 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC001348852303 981461449 /nfs/dbraw/zinc/46/14/49/981461449.db2.gz KHNDTJUFGNVKEQ-UWVGGRQHSA-N 2 1 225.311 1.869 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001349114331 981509386 /nfs/dbraw/zinc/50/93/86/981509386.db2.gz STCWGMXQMYSXID-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP O[C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC001580884642 981702548 /nfs/dbraw/zinc/70/25/48/981702548.db2.gz KKLHUCFFVAFJRT-YIYPIFLZSA-N 2 1 238.375 1.079 20 0 BDADMP c1cnc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cn1 ZINC001580896426 981728379 /nfs/dbraw/zinc/72/83/79/981728379.db2.gz BHEJDHXESMJBFD-CHWSQXEVSA-N 2 1 246.358 1.266 20 0 BDADMP CC1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC001349842308 981787903 /nfs/dbraw/zinc/78/79/03/981787903.db2.gz ZFINORNPYDYZFN-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)ccn1 ZINC001205673976 981891876 /nfs/dbraw/zinc/89/18/76/981891876.db2.gz WXCQASYGUIEPOP-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@H](Cc1nc(C2([NH3+])CC2)no1)n1ccnc1 ZINC001350693842 982048386 /nfs/dbraw/zinc/04/83/86/982048386.db2.gz PTONJMOZJAQZII-MRVPVSSYSA-N 2 1 233.275 1.018 20 0 BDADMP CCOCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196782574 982492472 /nfs/dbraw/zinc/49/24/72/982492472.db2.gz SDKUGCYAPWROGX-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP CCOCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001196782574 982492475 /nfs/dbraw/zinc/49/24/75/982492475.db2.gz SDKUGCYAPWROGX-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP CCOCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001196782574 982492480 /nfs/dbraw/zinc/49/24/80/982492480.db2.gz SDKUGCYAPWROGX-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)O1 ZINC001196781678 982495525 /nfs/dbraw/zinc/49/55/25/982495525.db2.gz FZHWFNXGFMGCER-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)O1 ZINC001196781678 982495529 /nfs/dbraw/zinc/49/55/29/982495529.db2.gz FZHWFNXGFMGCER-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)O1 ZINC001196781678 982495532 /nfs/dbraw/zinc/49/55/32/982495532.db2.gz FZHWFNXGFMGCER-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](O)CC ZINC001251782668 982692673 /nfs/dbraw/zinc/69/26/73/982692673.db2.gz NGKWZJDQVKUKMO-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP C[NH+](C)Cc1ccc(C2=CCC[N@@H+](C)C2)nc1 ZINC001241569010 982815889 /nfs/dbraw/zinc/81/58/89/982815889.db2.gz ZFCVPMSDDSHJTH-UHFFFAOYSA-N 2 1 231.343 1.862 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001199842936 983027953 /nfs/dbraw/zinc/02/79/53/983027953.db2.gz JNRWPRJZKMAPQZ-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](CCN1CC[NH+](C)CC1)CC(C)(C)C ZINC001201442839 983243934 /nfs/dbraw/zinc/24/39/34/983243934.db2.gz KLQVUNOTAHUCHG-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](CCc1ccccc1)CC2 ZINC001201606225 983372199 /nfs/dbraw/zinc/37/21/99/983372199.db2.gz QCQHNNFXHXXZDQ-UHFFFAOYSA-N 2 1 241.338 1.984 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](CCc1ccccc1)CC2 ZINC001201606225 983372206 /nfs/dbraw/zinc/37/22/06/983372206.db2.gz QCQHNNFXHXXZDQ-UHFFFAOYSA-N 2 1 241.338 1.984 20 0 BDADMP CCCC[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201711543 983420272 /nfs/dbraw/zinc/42/02/72/983420272.db2.gz VPIVIXVDJOGFOF-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCCC[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201711543 983420274 /nfs/dbraw/zinc/42/02/74/983420274.db2.gz VPIVIXVDJOGFOF-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCCC[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001201711543 983420279 /nfs/dbraw/zinc/42/02/79/983420279.db2.gz VPIVIXVDJOGFOF-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCCC[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001201711543 983420289 /nfs/dbraw/zinc/42/02/89/983420289.db2.gz VPIVIXVDJOGFOF-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCOC1 ZINC001202528882 983870453 /nfs/dbraw/zinc/87/04/53/983870453.db2.gz HJNNANRIHIVAMW-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP C[C@@H]1CN(CC2CC[NH+](C)CC2)C[C@@H](C)[NH2+]1 ZINC000202092129 984006152 /nfs/dbraw/zinc/00/61/52/984006152.db2.gz ZXXWWCIYRRMDKA-VXGBXAGGSA-N 2 1 225.380 1.010 20 0 BDADMP CN1CCC([NH2+]C[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001561033930 984017041 /nfs/dbraw/zinc/01/70/41/984017041.db2.gz ACUHJMNPPJPOLV-CYBMUJFWSA-N 2 1 237.391 1.012 20 0 BDADMP CC[N@@H+](CCn1ccnc1)CC1CCOCC1 ZINC001202597770 984103993 /nfs/dbraw/zinc/10/39/93/984103993.db2.gz DIZIJFRPICMNCI-UHFFFAOYSA-N 2 1 237.347 1.632 20 0 BDADMP CC[C@H](C)C[C@@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576971204 984187371 /nfs/dbraw/zinc/18/73/71/984187371.db2.gz OEXGFSMGWBVTRC-QCXCNERSSA-N 2 1 226.364 1.125 20 0 BDADMP CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC001576972830 984188203 /nfs/dbraw/zinc/18/82/03/984188203.db2.gz YPDSAZLXPPMMLZ-RFQIPJPRSA-N 2 1 242.407 1.904 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001578241815 984208837 /nfs/dbraw/zinc/20/88/37/984208837.db2.gz MWGLVLGJINWPJN-SYQHCUMBSA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCSC1 ZINC001578241715 984210186 /nfs/dbraw/zinc/21/01/86/984210186.db2.gz IYMWKGFVXVNORD-AEJSXWLSSA-N 2 1 200.351 1.222 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC001578241994 984210843 /nfs/dbraw/zinc/21/08/43/984210843.db2.gz WMBWTDSEUXELJP-QCNOEVLYSA-N 2 1 240.347 1.058 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001578622162 984214427 /nfs/dbraw/zinc/21/44/27/984214427.db2.gz PMBLOBKIJBYWDS-DGCLKSJQSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001578620857 984215221 /nfs/dbraw/zinc/21/52/21/984215221.db2.gz ADPWIDQWXMLFLZ-WCQYABFASA-N 2 1 228.380 1.325 20 0 BDADMP O[C@H](C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1 ZINC001580885619 984617711 /nfs/dbraw/zinc/61/77/11/984617711.db2.gz HREQYDVBBNWBFH-QLFBSQMISA-N 2 1 246.354 1.261 20 0 BDADMP c1nc(C2([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)no1 ZINC001580897197 984623632 /nfs/dbraw/zinc/62/36/32/984623632.db2.gz JFQJWUGYUDUZKB-FGWVZKOKSA-N 2 1 248.330 1.179 20 0 BDADMP CC[N@H+](Cc1ccnc(N)c1)C1CC[NH2+]CC1 ZINC001577740137 984687373 /nfs/dbraw/zinc/68/73/73/984687373.db2.gz FTTDPWHWUCHPBJ-UHFFFAOYSA-N 2 1 234.347 1.238 20 0 BDADMP CC[N@@H+](Cc1ccnc(N)c1)C1CC[NH2+]CC1 ZINC001577740137 984687400 /nfs/dbraw/zinc/68/74/00/984687400.db2.gz FTTDPWHWUCHPBJ-UHFFFAOYSA-N 2 1 234.347 1.238 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccnc3)C[C@H]2CC1 ZINC001275885096 984707229 /nfs/dbraw/zinc/70/72/29/984707229.db2.gz WLUXZHVVLZLHSQ-GASCZTMLSA-N 2 1 245.370 1.855 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2CC1 ZINC001275885096 984707259 /nfs/dbraw/zinc/70/72/59/984707259.db2.gz WLUXZHVVLZLHSQ-GASCZTMLSA-N 2 1 245.370 1.855 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2CC1 ZINC001275885096 984707282 /nfs/dbraw/zinc/70/72/82/984707282.db2.gz WLUXZHVVLZLHSQ-GASCZTMLSA-N 2 1 245.370 1.855 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001577771333 984770481 /nfs/dbraw/zinc/77/04/81/984770481.db2.gz VBBATKGBFJJYJQ-MNOVXSKESA-N 2 1 247.333 1.058 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1O ZINC001275997163 984771248 /nfs/dbraw/zinc/77/12/48/984771248.db2.gz URVYYOMCIIGQJI-YHWZYXNKSA-N 2 1 247.342 1.502 20 0 BDADMP CCN1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC001577778267 984772894 /nfs/dbraw/zinc/77/28/94/984772894.db2.gz OVSNAMPHAPQSMY-RWMBFGLXSA-N 2 1 225.380 1.140 20 0 BDADMP CCNc1ccccc1C[NH2+]CC(C)(C)[NH3+] ZINC001577902341 984815992 /nfs/dbraw/zinc/81/59/92/984815992.db2.gz NTQJVOMVNMFBIE-UHFFFAOYSA-N 2 1 221.348 1.945 20 0 BDADMP Cc1ncoc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276216432 984830959 /nfs/dbraw/zinc/83/09/59/984830959.db2.gz UOJAWOMXOZWFGT-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP CCOC(C)(C)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001578071307 984840608 /nfs/dbraw/zinc/84/06/08/984840608.db2.gz DWDLEQXMUUQDNF-QMMMGPOBSA-N 2 1 242.285 1.671 20 0 BDADMP [NH3+]Cc1ccn([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC001256899035 984844965 /nfs/dbraw/zinc/84/49/65/984844965.db2.gz QTDJEXMJHNEMAU-CQSZACIVSA-N 2 1 248.374 1.921 20 0 BDADMP CCO[C@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001578098212 984847412 /nfs/dbraw/zinc/84/74/12/984847412.db2.gz UMRHUSWGTAZMDS-QWRGUYRKSA-N 2 1 214.353 1.661 20 0 BDADMP CCO[C@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001578098300 984848658 /nfs/dbraw/zinc/84/86/58/984848658.db2.gz WFGUPGIHSDILRJ-AVGNSLFASA-N 2 1 226.364 1.676 20 0 BDADMP CCO[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001578098299 984849305 /nfs/dbraw/zinc/84/93/05/984849305.db2.gz WFGUPGIHSDILRJ-AGIUHOORSA-N 2 1 226.364 1.676 20 0 BDADMP CO[C@H]1CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257214607 984853039 /nfs/dbraw/zinc/85/30/39/984853039.db2.gz HRFHIOMSOSMXAU-ZDUSSCGKSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@H]1CC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257214607 984853043 /nfs/dbraw/zinc/85/30/43/984853043.db2.gz HRFHIOMSOSMXAU-ZDUSSCGKSA-N 2 1 226.364 1.580 20 0 BDADMP CC[N@H+](CC(C)(C)O)C1CC[NH+](C(C)C)CC1 ZINC001257222205 984853814 /nfs/dbraw/zinc/85/38/14/984853814.db2.gz WRPVNPLZJIRZKS-UHFFFAOYSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@@H+](CC(C)(C)O)C1CC[NH+](C(C)C)CC1 ZINC001257222205 984853817 /nfs/dbraw/zinc/85/38/17/984853817.db2.gz WRPVNPLZJIRZKS-UHFFFAOYSA-N 2 1 242.407 1.952 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])CC)[C@]12CCCO2 ZINC001578148870 984854614 /nfs/dbraw/zinc/85/46/14/984854614.db2.gz MJPZOSONYWKOMF-FDYHWXHSSA-N 2 1 242.363 1.040 20 0 BDADMP CCC[C@@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257307765 984878769 /nfs/dbraw/zinc/87/87/69/984878769.db2.gz UAWRKHOPDPHEEH-NXEZZACHSA-N 2 1 216.325 1.045 20 0 BDADMP CCC[C@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257308212 984880956 /nfs/dbraw/zinc/88/09/56/984880956.db2.gz LFQHVPQDFRWADQ-VHSXEESVSA-N 2 1 211.309 1.106 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](C)Cn1cccn1 ZINC001578241590 984894227 /nfs/dbraw/zinc/89/42/27/984894227.db2.gz CZHNJCGMRPHPRZ-TUAOUCFPSA-N 2 1 222.336 1.002 20 0 BDADMP CCc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2O)c1 ZINC001578267012 984916853 /nfs/dbraw/zinc/91/68/53/984916853.db2.gz YZAHQGHKRQPEAQ-ZIAGYGMSSA-N 2 1 234.343 1.061 20 0 BDADMP CCc1ccccc1C[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001578277233 984925910 /nfs/dbraw/zinc/92/59/10/984925910.db2.gz QWKRHHWNRMIRDA-AWEZNQCLSA-N 2 1 234.343 1.063 20 0 BDADMP CCc1nocc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001578336386 984978114 /nfs/dbraw/zinc/97/81/14/984978114.db2.gz MLWBJOHCRBONLL-ZJUUUORDSA-N 2 1 223.320 1.182 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@]12CCOC2)CC1CC[NH2+]CC1 ZINC001578458723 985095748 /nfs/dbraw/zinc/09/57/48/985095748.db2.gz URWGOWBPRUOCCH-ZIAGYGMSSA-N 2 1 238.375 1.344 20 0 BDADMP Cn1ncc(C[NH3+])c1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001578486525 985117144 /nfs/dbraw/zinc/11/71/44/985117144.db2.gz OPYGJXIMMYAXQP-NSHDSACASA-N 2 1 236.363 1.357 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC1(C)C ZINC001578525147 985145419 /nfs/dbraw/zinc/14/54/19/985145419.db2.gz SBORPVFJLRABSD-YNEHKIRRSA-N 2 1 239.407 1.719 20 0 BDADMP COC(CC[NH+]1CCC([NH+](C)C)CC1)OC ZINC000686607894 985146700 /nfs/dbraw/zinc/14/67/00/985146700.db2.gz YVPSORPJOANLKW-UHFFFAOYSA-N 2 1 230.352 1.021 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC001578529064 985154374 /nfs/dbraw/zinc/15/43/74/985154374.db2.gz PTKPESGFPPXQPX-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CNCC1(C[NH3+])CCC1 ZINC001578529647 985156901 /nfs/dbraw/zinc/15/69/01/985156901.db2.gz WPCQIIKXEUSPOB-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP CN1CCCC[C@@H]1C[NH2+]CC1(C[NH3+])CCC1 ZINC001578529647 985156907 /nfs/dbraw/zinc/15/69/07/985156907.db2.gz WPCQIIKXEUSPOB-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP COC(CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000686617464 985175284 /nfs/dbraw/zinc/17/52/84/985175284.db2.gz PILOZHAFCOUWHB-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP COC(CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000686617464 985175303 /nfs/dbraw/zinc/17/53/03/985175303.db2.gz PILOZHAFCOUWHB-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP COC(CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000686617464 985175314 /nfs/dbraw/zinc/17/53/14/985175314.db2.gz PILOZHAFCOUWHB-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC001578622696 985237357 /nfs/dbraw/zinc/23/73/57/985237357.db2.gz YNKPREJXXXLMTD-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000687191458 985254982 /nfs/dbraw/zinc/25/49/82/985254982.db2.gz BGWIHCSNOZIPHW-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+](C)CCC1CCCCCC1 ZINC001578652994 985265544 /nfs/dbraw/zinc/26/55/44/985265544.db2.gz SAEMDUTXOBKXOB-CQSZACIVSA-N 2 1 242.407 1.859 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001578654628 985274896 /nfs/dbraw/zinc/27/48/96/985274896.db2.gz VEDHULSKGOUROR-MJBXVCDLSA-N 2 1 238.375 1.077 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001258105962 985418163 /nfs/dbraw/zinc/41/81/63/985418163.db2.gz VFOBLPUGDMYOLU-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001258105962 985418181 /nfs/dbraw/zinc/41/81/81/985418181.db2.gz VFOBLPUGDMYOLU-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP COC(=O)c1csc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC001578885520 985445982 /nfs/dbraw/zinc/44/59/82/985445982.db2.gz SYEYYKNDFSUERL-KYZUINATSA-N 2 1 240.328 1.114 20 0 BDADMP CO[C@H](CC(C)C)C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578900699 985492773 /nfs/dbraw/zinc/49/27/73/985492773.db2.gz KTPHNMKYTQTFIW-MCIONIFRSA-N 2 1 240.391 1.589 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000688028882 985504944 /nfs/dbraw/zinc/50/49/44/985504944.db2.gz IMWBYNBRCGOEPN-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP COC1(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])CCC1 ZINC001578926742 985528760 /nfs/dbraw/zinc/52/87/60/985528760.db2.gz MTWYQJCAQXAXQU-AAEUAGOBSA-N 2 1 224.348 1.369 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])CCC1 ZINC001578926742 985528765 /nfs/dbraw/zinc/52/87/65/985528765.db2.gz MTWYQJCAQXAXQU-AAEUAGOBSA-N 2 1 224.348 1.369 20 0 BDADMP COC1CC([NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578936088 985547190 /nfs/dbraw/zinc/54/71/90/985547190.db2.gz ODVLHKAOOQFYSM-HCWSGVFWSA-N 2 1 210.321 1.038 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])CC1 ZINC001578937812 985551638 /nfs/dbraw/zinc/55/16/38/985551638.db2.gz OYNUWWKBTCAPCW-QWRGUYRKSA-N 2 1 214.353 1.661 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC001578938350 985556959 /nfs/dbraw/zinc/55/69/59/985556959.db2.gz RESUUCMNBNTQLM-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@](C)(CO)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC001578953957 985563387 /nfs/dbraw/zinc/56/33/87/985563387.db2.gz CCNPMPWUDXUJLO-AAEUAGOBSA-N 2 1 246.395 1.127 20 0 BDADMP COCC1(C[NH2+][C@@H]2C[NH2+]CC23CC3)CCC1 ZINC001578982948 985604882 /nfs/dbraw/zinc/60/48/82/985604882.db2.gz SICGRRDBXZFLSC-LLVKDONJSA-N 2 1 224.348 1.145 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C2CCC2)C1 ZINC000688303245 985606618 /nfs/dbraw/zinc/60/66/18/985606618.db2.gz RMRICIXGBZKSGP-KGYLQXTDSA-N 2 1 208.349 1.988 20 0 BDADMP COCC[C@H]([NH3+])C[N@@H+](CCOC)C1CCCC1 ZINC001579000307 985647769 /nfs/dbraw/zinc/64/77/69/985647769.db2.gz RSECJLIKCOMZDN-LBPRGKRZSA-N 2 1 244.379 1.241 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1F ZINC001579004550 985670319 /nfs/dbraw/zinc/67/03/19/985670319.db2.gz USFMAYNFOILDTE-OUAUKWLOSA-N 2 1 218.316 1.221 20 0 BDADMP CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]1C ZINC001459981821 985685237 /nfs/dbraw/zinc/68/52/37/985685237.db2.gz BXZNLXAIQTWQMF-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]1C ZINC001459981821 985685242 /nfs/dbraw/zinc/68/52/42/985685242.db2.gz BXZNLXAIQTWQMF-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H]1C ZINC001459981821 985685246 /nfs/dbraw/zinc/68/52/46/985685246.db2.gz BXZNLXAIQTWQMF-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H]1C ZINC001459981821 985685252 /nfs/dbraw/zinc/68/52/52/985685252.db2.gz BXZNLXAIQTWQMF-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP COCCc1cc[nH+]c(NC[C@]23C[C@H]2C[NH2+]C3)c1 ZINC001579067647 985688829 /nfs/dbraw/zinc/68/88/29/985688829.db2.gz LMISGNWJUDFHKX-GXTWGEPZSA-N 2 1 247.342 1.292 20 0 BDADMP COCCSCCC[N@H+](C)C1(C[NH3+])CCC1 ZINC001579073667 985692266 /nfs/dbraw/zinc/69/22/66/985692266.db2.gz RGBZERBWOIBNJP-UHFFFAOYSA-N 2 1 246.420 1.569 20 0 BDADMP COCCSCCC[N@@H+](C)C1(C[NH3+])CCC1 ZINC001579073667 985692273 /nfs/dbraw/zinc/69/22/73/985692273.db2.gz RGBZERBWOIBNJP-UHFFFAOYSA-N 2 1 246.420 1.569 20 0 BDADMP COCCc1cc[nH+]c(NC[C@@]2(C)CC[NH2+]C2)c1 ZINC001579068462 985693179 /nfs/dbraw/zinc/69/31/79/985693179.db2.gz SRPZLVSHMKRTIU-AWEZNQCLSA-N 2 1 249.358 1.682 20 0 BDADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)no1 ZINC001276307236 985757061 /nfs/dbraw/zinc/75/70/61/985757061.db2.gz INGSALMLZKSCBK-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)no1 ZINC001276307236 985757080 /nfs/dbraw/zinc/75/70/80/985757080.db2.gz INGSALMLZKSCBK-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)no1 ZINC001276307236 985757100 /nfs/dbraw/zinc/75/71/00/985757100.db2.gz INGSALMLZKSCBK-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP COc1cc(C[C@H](C)[NH2+]C(C)(C)C[NH3+])ccn1 ZINC001579146709 985812448 /nfs/dbraw/zinc/81/24/48/985812448.db2.gz QRZWFEOJFMZJIS-JTQLQIEISA-N 2 1 237.347 1.348 20 0 BDADMP COc1nc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC001579323685 985844879 /nfs/dbraw/zinc/84/48/79/985844879.db2.gz NBSKMFUKCWUXRI-RYUDHWBXSA-N 2 1 249.358 1.568 20 0 BDADMP COc1nc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC001579323685 985844887 /nfs/dbraw/zinc/84/48/87/985844887.db2.gz NBSKMFUKCWUXRI-RYUDHWBXSA-N 2 1 249.358 1.568 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnn3c2CCC3)C[C@H]1CC[NH3+] ZINC001579441548 985926247 /nfs/dbraw/zinc/92/62/47/985926247.db2.gz BLLKOTXJXWUSBM-VXGBXAGGSA-N 2 1 248.374 1.246 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CCC(CO)CC1 ZINC001579454671 985938431 /nfs/dbraw/zinc/93/84/31/985938431.db2.gz URSWNURAIQETKC-ZIHBUVQPSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001579454681 985939300 /nfs/dbraw/zinc/93/93/00/985939300.db2.gz VFSLFWBDSXYKON-AGIUHOORSA-N 2 1 246.358 1.121 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@H]1CCSC1)C2 ZINC001579473540 985948627 /nfs/dbraw/zinc/94/86/27/985948627.db2.gz DGSIIWZPHFQSJC-UTUOFQBUSA-N 2 1 226.389 1.281 20 0 BDADMP C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1[nH+]cc2ccccn21 ZINC001276348417 986044796 /nfs/dbraw/zinc/04/47/96/986044796.db2.gz NBIRTTOXFPSGIO-BETUJISGSA-N 2 1 242.326 1.223 20 0 BDADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1[nH+]cc2ccccn21 ZINC001276348417 986044813 /nfs/dbraw/zinc/04/48/13/986044813.db2.gz NBIRTTOXFPSGIO-BETUJISGSA-N 2 1 242.326 1.223 20 0 BDADMP Cc1cc([C@@H]2CCCC[N@@H+]2CCC[NH3+])[nH]n1 ZINC001579590649 986107167 /nfs/dbraw/zinc/10/71/67/986107167.db2.gz QMFYFQRETFGZAD-LBPRGKRZSA-N 2 1 222.336 1.594 20 0 BDADMP Cc1cc([C@@H]2CCCC[N@H+]2CCC[NH3+])[nH]n1 ZINC001579590649 986107175 /nfs/dbraw/zinc/10/71/75/986107175.db2.gz QMFYFQRETFGZAD-LBPRGKRZSA-N 2 1 222.336 1.594 20 0 BDADMP Cc1cc(C[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)n(C)n1 ZINC001579600798 986119661 /nfs/dbraw/zinc/11/96/61/986119661.db2.gz FJJSZHMCIQOLSP-ZIAGYGMSSA-N 2 1 248.374 1.350 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](OC)C2)CC1 ZINC001258771748 986156214 /nfs/dbraw/zinc/15/62/14/986156214.db2.gz SDSKHRQXKQRSFY-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1ccc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2O)c1 ZINC001579673170 986175673 /nfs/dbraw/zinc/17/56/73/986175673.db2.gz XBZBDSJETTYJNG-ZIAGYGMSSA-N 2 1 234.343 1.116 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001461829116 986189111 /nfs/dbraw/zinc/18/91/11/986189111.db2.gz KTWUGHDCQMHURJ-FRRDWIJNSA-N 2 1 240.391 1.589 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1C ZINC001461832065 986198728 /nfs/dbraw/zinc/19/87/28/986198728.db2.gz VITPJPJLMMFDCT-FRRDWIJNSA-N 2 1 248.374 1.456 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1C ZINC001461832065 986198754 /nfs/dbraw/zinc/19/87/54/986198754.db2.gz VITPJPJLMMFDCT-FRRDWIJNSA-N 2 1 248.374 1.456 20 0 BDADMP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)no1 ZINC001579846068 986272418 /nfs/dbraw/zinc/27/24/18/986272418.db2.gz SFATZCAHKWRGMN-UJNFCWOMSA-N 2 1 224.308 1.156 20 0 BDADMP Cc1ncsc1CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001579888159 986303896 /nfs/dbraw/zinc/30/38/96/986303896.db2.gz QSWLWMVHAJPOQC-NSHDSACASA-N 2 1 239.388 1.665 20 0 BDADMP Cn1cncc1C[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579986083 986386861 /nfs/dbraw/zinc/38/68/61/986386861.db2.gz QTHZAXVMSXOQDX-JSGCOSHPSA-N 2 1 248.374 1.371 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000689403838 986562808 /nfs/dbraw/zinc/56/28/08/986562808.db2.gz DIWYIDVKSDVNGB-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2CCC3(C2)CCOCC3)C[NH2+]1 ZINC000379721053 986674174 /nfs/dbraw/zinc/67/41/74/986674174.db2.gz CWLDSGCHBOYBAQ-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2CCC3(C2)CCOCC3)C[NH2+]1 ZINC000379721053 986674182 /nfs/dbraw/zinc/67/41/82/986674182.db2.gz CWLDSGCHBOYBAQ-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCC[C@H]1CCO1 ZINC001580254678 986712622 /nfs/dbraw/zinc/71/26/22/986712622.db2.gz YWPOONUTLGVJSO-RWMBFGLXSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCC[C@H]1CCO1 ZINC001580254678 986712629 /nfs/dbraw/zinc/71/26/29/986712629.db2.gz YWPOONUTLGVJSO-RWMBFGLXSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]CC[C@@H](O)C[N@@H+](CCC1CC1)CC1CC1 ZINC001580284963 986733359 /nfs/dbraw/zinc/73/33/59/986733359.db2.gz YXCYKKCWDFAAGG-CYBMUJFWSA-N 2 1 226.364 1.208 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001580380369 986805050 /nfs/dbraw/zinc/80/50/50/986805050.db2.gz VKUUEPQSNRDUFW-LLVKDONJSA-N 2 1 212.337 1.105 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2(O)CCCCCC2)C1 ZINC001580380369 986805054 /nfs/dbraw/zinc/80/50/54/986805054.db2.gz VKUUEPQSNRDUFW-LLVKDONJSA-N 2 1 212.337 1.105 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC001580423119 986842826 /nfs/dbraw/zinc/84/28/26/986842826.db2.gz PRIHVWYVUKMMCI-PHIMTYICSA-N 2 1 220.320 1.187 20 0 BDADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCSC3)C2)CC1 ZINC001255289676 986889806 /nfs/dbraw/zinc/88/98/06/986889806.db2.gz AFSRDKNYAHQUSE-LBPRGKRZSA-N 2 1 240.416 1.910 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC([NH+]3CCCCC3)C2)C1 ZINC001255488824 986990900 /nfs/dbraw/zinc/99/09/00/986990900.db2.gz HURLNGOEERCVEY-CYBMUJFWSA-N 2 1 237.391 1.251 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)CC(F)(F)F ZINC001255638444 987038756 /nfs/dbraw/zinc/03/87/56/987038756.db2.gz AWLYUGUFEZVHCG-YUMQZZPRSA-N 2 1 212.259 1.854 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246014856 987296466 /nfs/dbraw/zinc/29/64/66/987296466.db2.gz SIVMVVLSWMSRNR-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246014856 987296473 /nfs/dbraw/zinc/29/64/73/987296473.db2.gz SIVMVVLSWMSRNR-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP C[C@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692950604 987298522 /nfs/dbraw/zinc/29/85/22/987298522.db2.gz SGVWJRNMKBWVSV-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)(O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246020991 987300388 /nfs/dbraw/zinc/30/03/88/987300388.db2.gz KUCAJCJAEFRJTN-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246019123 987305640 /nfs/dbraw/zinc/30/56/40/987305640.db2.gz HIOOELRLRBHMBD-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246022115 987307310 /nfs/dbraw/zinc/30/73/10/987307310.db2.gz OWPOJPBODHRCSU-CHWSQXEVSA-N 2 1 228.380 1.598 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020753 987307722 /nfs/dbraw/zinc/30/77/22/987307722.db2.gz LSMZBBRCHVRZRU-NWDGAFQWSA-N 2 1 232.343 1.300 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246019121 987309045 /nfs/dbraw/zinc/30/90/45/987309045.db2.gz HIOOELRLRBHMBD-NWDGAFQWSA-N 2 1 214.353 1.351 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022034 987312589 /nfs/dbraw/zinc/31/25/89/987312589.db2.gz PCKVBWHPJGMMAP-STQMWFEESA-N 2 1 246.370 1.690 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246026438 987320265 /nfs/dbraw/zinc/32/02/65/987320265.db2.gz VDLPVFMVLUQHHB-XQQFMLRXSA-N 2 1 228.380 1.597 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246026438 987320273 /nfs/dbraw/zinc/32/02/73/987320273.db2.gz VDLPVFMVLUQHHB-XQQFMLRXSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246033264 987335155 /nfs/dbraw/zinc/33/51/55/987335155.db2.gz UPSMPIOLVHCBBR-HBNTYKKESA-N 2 1 232.343 1.155 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246033264 987335159 /nfs/dbraw/zinc/33/51/59/987335159.db2.gz UPSMPIOLVHCBBR-HBNTYKKESA-N 2 1 232.343 1.155 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246059113 987351172 /nfs/dbraw/zinc/35/11/72/987351172.db2.gz ICXCHZKQUCHEMP-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CC[C@@H]1CCCCO1 ZINC000699710732 987381242 /nfs/dbraw/zinc/38/12/42/987381242.db2.gz MYVNALLCRCGTCN-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CCSC[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086969 987385071 /nfs/dbraw/zinc/38/50/71/987385071.db2.gz XMELYPQHTXVZBY-AXFHLTTASA-N 2 1 216.394 1.858 20 0 BDADMP CCOC(=O)CC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090216 987395354 /nfs/dbraw/zinc/39/53/54/987395354.db2.gz JZOFKMTVWVOWGE-NWDGAFQWSA-N 2 1 242.363 1.450 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246096840 987409125 /nfs/dbraw/zinc/40/91/25/987409125.db2.gz NAYSBABUHDRKKL-FVCCEPFGSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096923 987409412 /nfs/dbraw/zinc/40/94/12/987409412.db2.gz NQTLJYBKYBTLJR-IZXDZPFWSA-N 3 1 237.391 1.247 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246096244 987409705 /nfs/dbraw/zinc/40/97/05/987409705.db2.gz DQRGUPDNTJZSMX-QWHCGFSZSA-N 3 1 239.407 1.306 20 0 BDADMP C[NH2+]C1CCC([NH2+]C[C@H]2CC[C@@H](C)CN2)CC1 ZINC001246107422 987435850 /nfs/dbraw/zinc/43/58/50/987435850.db2.gz GTJZIVFDLIOTOP-BLYZHGLHSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108063 987436607 /nfs/dbraw/zinc/43/66/07/987436607.db2.gz BVLBOLLZIJCMSK-XHJNMGKDSA-N 3 1 237.391 1.105 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246111414 987444730 /nfs/dbraw/zinc/44/47/30/987444730.db2.gz OAWZHWAXKCYILH-XJFOESAGSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCCNC1 ZINC001246114160 987449511 /nfs/dbraw/zinc/44/95/11/987449511.db2.gz UTVLQYILWGJMMA-MGPQQGTHSA-N 2 1 239.407 1.354 20 0 BDADMP O=C1C[C@H]2C[C@H]([NH2+][C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246120613 987469981 /nfs/dbraw/zinc/46/99/81/987469981.db2.gz NTJNTEJITZNTHG-WHOHXGKFSA-N 2 1 222.332 1.086 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246123491 987470894 /nfs/dbraw/zinc/47/08/94/987470894.db2.gz APUMSRVPVJLHCY-UPJWGTAASA-N 2 1 237.391 1.249 20 0 BDADMP CCC(CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246149494 987471993 /nfs/dbraw/zinc/47/19/93/987471993.db2.gz BYVYLRNGWKSXCD-NSHDSACASA-N 2 1 230.352 1.435 20 0 BDADMP C[C@H]1CC([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@H](C)C1 ZINC001246132448 987480570 /nfs/dbraw/zinc/48/05/70/987480570.db2.gz CXTLJQLLVBSWMO-OMRXRXQOSA-N 2 1 238.375 1.388 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246136673 987494464 /nfs/dbraw/zinc/49/44/64/987494464.db2.gz VOKMBVANKVPQPD-AAVRWANBSA-N 2 1 238.375 1.698 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccccc2)CC[NH2+]1 ZINC001246153218 987511015 /nfs/dbraw/zinc/51/10/15/987511015.db2.gz MLMOBQUBORMILM-YUELXQCFSA-N 2 1 248.370 1.840 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246161343 987522267 /nfs/dbraw/zinc/52/22/67/987522267.db2.gz JRBORJVROXJCBX-ZIAGYGMSSA-N 2 1 241.423 1.839 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246176030 987543593 /nfs/dbraw/zinc/54/35/93/987543593.db2.gz JXTRRCMHSPHOHO-GXSJLCMTSA-N 3 1 222.336 1.006 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246183104 987552229 /nfs/dbraw/zinc/55/22/29/987552229.db2.gz DGCUZLBZRFDHPK-ZIAGYGMSSA-N 2 1 241.423 1.839 20 0 BDADMP c1nc2c(s1)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246186019 987562083 /nfs/dbraw/zinc/56/20/83/987562083.db2.gz DEZXVKCGECIILU-VHSXEESVSA-N 2 1 237.372 1.342 20 0 BDADMP Cn1cc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1 ZINC001246192576 987579649 /nfs/dbraw/zinc/57/96/49/987579649.db2.gz HJNOBUSWJMNKOD-FUNVUKJBSA-N 2 1 246.358 1.282 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2(C3CCOCC3)CC2)C[NH2+]1 ZINC001246194219 987584170 /nfs/dbraw/zinc/58/41/70/987584170.db2.gz GRDJPUQWDMGSPO-DGCLKSJQSA-N 2 1 238.375 1.676 20 0 BDADMP COC(=O)CCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246198258 987590524 /nfs/dbraw/zinc/59/05/24/987590524.db2.gz DVJNQDMILUPCAJ-NSHDSACASA-N 2 1 228.336 1.061 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246201018 987594304 /nfs/dbraw/zinc/59/43/04/987594304.db2.gz UDKUPUFIUITXLB-KBPBESRZSA-N 3 1 241.423 1.696 20 0 BDADMP [NH3+][C@H]1CC[C@@H](CC[NH2+][C@@H]2CCCCNC2)CC1 ZINC001246202399 987599469 /nfs/dbraw/zinc/59/94/69/987599469.db2.gz OMJDFZWCEKZROK-HZSPNIEDSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2(c3ccncc3)CC2)CC[NH2+]1 ZINC001246210081 987608022 /nfs/dbraw/zinc/60/80/22/987608022.db2.gz IBFZTVKLIWQYIO-DGCLKSJQSA-N 2 1 231.343 1.801 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C[NH2+]1 ZINC001246223748 987622789 /nfs/dbraw/zinc/62/27/89/987622789.db2.gz UVMGKUWEXODURW-RXGFPQBGSA-N 2 1 208.349 1.905 20 0 BDADMP OC[C@H](CC1CCCCC1)[NH2+][C@@H]1CCCNC1 ZINC001246228835 987626490 /nfs/dbraw/zinc/62/64/90/987626490.db2.gz GHZGBEIPGONVDU-KGLIPLIRSA-N 2 1 240.391 1.659 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccnc32)CC[NH2+]1 ZINC001246237343 987634920 /nfs/dbraw/zinc/63/49/20/987634920.db2.gz SCAHWHUZFDIVSQ-RTXFEEFZSA-N 2 1 231.343 1.799 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246240291 987638205 /nfs/dbraw/zinc/63/82/05/987638205.db2.gz UGHBXGAERSXSMP-RVMXOQNASA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)(C[NH3+])C[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246250743 987650304 /nfs/dbraw/zinc/65/03/04/987650304.db2.gz RNWHBZAYPMYZJX-NEPJUHHUSA-N 3 1 241.423 1.728 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2cccs2)CC[NH2+]1 ZINC001246257753 987654922 /nfs/dbraw/zinc/65/49/22/987654922.db2.gz IUEQTFQAMHOSAA-MXWKQRLJSA-N 2 1 240.372 1.512 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ncccc2O)CC[NH2+]1 ZINC001246267690 987661530 /nfs/dbraw/zinc/66/15/30/987661530.db2.gz VWGZIONRDMFMNC-NXEZZACHSA-N 2 1 221.304 1.017 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ncccc2O)CC[NH2+]1 ZINC001246267691 987663346 /nfs/dbraw/zinc/66/33/46/987663346.db2.gz VWGZIONRDMFMNC-UWVGGRQHSA-N 2 1 221.304 1.017 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246269930 987663497 /nfs/dbraw/zinc/66/34/97/987663497.db2.gz CISBGCJQVDALRH-NEPJUHHUSA-N 3 1 241.423 1.870 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[Si](C)(C)C)C[NH2+]1 ZINC001246270944 987664881 /nfs/dbraw/zinc/66/48/81/987664881.db2.gz XBLMFHQQIBAREY-ZJUUUORDSA-N 2 1 200.402 1.594 20 0 BDADMP CCOC(=O)C1(C[NH2+][C@@H]2CCC[NH2+]C2)CCC1 ZINC001246275234 987668469 /nfs/dbraw/zinc/66/84/69/987668469.db2.gz ZRCWPYDBBIFFTC-LLVKDONJSA-N 2 1 240.347 1.061 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246279919 987672589 /nfs/dbraw/zinc/67/25/89/987672589.db2.gz OFKDVKFOWMWQFX-WHOHXGKFSA-N 2 1 240.347 1.058 20 0 BDADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCNC1 ZINC001246285254 987677408 /nfs/dbraw/zinc/67/74/08/987677408.db2.gz QRQXLLBKQKULLR-CABCVRRESA-N 2 1 248.370 1.586 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C[NH2+]1 ZINC001246283658 987677951 /nfs/dbraw/zinc/67/79/51/987677951.db2.gz XDRHVCLLRXTCHW-BNOWGMLFSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccnn32)CC[NH2+]1 ZINC001246291429 987683540 /nfs/dbraw/zinc/68/35/40/987683540.db2.gz INFVOAMCJXKJND-NEPJUHHUSA-N 2 1 244.342 1.564 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246303241 987686894 /nfs/dbraw/zinc/68/68/94/987686894.db2.gz FCNOMCZCYWCNGA-RYUDHWBXSA-N 3 1 215.385 1.434 20 0 BDADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246297500 987689767 /nfs/dbraw/zinc/68/97/67/987689767.db2.gz GTBPRYJPVPJKBH-FQUUOJAGSA-N 2 1 242.407 1.761 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH3+])CC[NH2+]1 ZINC001246299981 987692441 /nfs/dbraw/zinc/69/24/41/987692441.db2.gz LBSKUPMYKLZLHF-UPJWGTAASA-N 3 1 227.396 1.624 20 0 BDADMP CCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246299490 987693103 /nfs/dbraw/zinc/69/31/03/987693103.db2.gz LDADDNSNEDJPLG-RWMBFGLXSA-N 2 1 228.380 1.515 20 0 BDADMP CCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246299787 987693396 /nfs/dbraw/zinc/69/33/96/987693396.db2.gz MWDQACFPNRKJKK-RWMBFGLXSA-N 2 1 228.380 1.515 20 0 BDADMP CCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246299786 987695067 /nfs/dbraw/zinc/69/50/67/987695067.db2.gz MWDQACFPNRKJKK-AVGNSLFASA-N 2 1 228.380 1.515 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246300370 987696613 /nfs/dbraw/zinc/69/66/13/987696613.db2.gz NGACYALOXLAGGP-OLZOCXBDSA-N 3 1 239.407 1.768 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC001116770226 987701515 /nfs/dbraw/zinc/70/15/15/987701515.db2.gz ALZVTXWLJXFYEK-RYUDHWBXSA-N 2 1 240.347 1.012 20 0 BDADMP CCCC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246307986 987707298 /nfs/dbraw/zinc/70/72/98/987707298.db2.gz NRCGPYMAIVVUMP-BFHYXJOUSA-N 2 1 242.407 1.761 20 0 BDADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246307990 987709807 /nfs/dbraw/zinc/70/98/07/987709807.db2.gz NRCGPYMAIVVUMP-MCIONIFRSA-N 2 1 242.407 1.761 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ncccc32)CC[NH2+]1 ZINC001246310241 987710650 /nfs/dbraw/zinc/71/06/50/987710650.db2.gz GGZQGSGRCXIOFT-UHIISALHSA-N 2 1 231.343 1.799 20 0 BDADMP CC[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246310185 987713861 /nfs/dbraw/zinc/71/38/61/987713861.db2.gz ZNYGAXXHOJLTFB-AVGNSLFASA-N 3 1 227.396 1.480 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246329797 987736205 /nfs/dbraw/zinc/73/62/05/987736205.db2.gz XETDAVRYDCPBOG-STQMWFEESA-N 3 1 239.407 1.626 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CCC(CCO)CC2)C[NH2+]1 ZINC001246336476 987745213 /nfs/dbraw/zinc/74/52/13/987745213.db2.gz OPUHTYOVYQCNGV-GFJIZPEISA-N 2 1 240.391 1.658 20 0 BDADMP OCCCCCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246338947 987748910 /nfs/dbraw/zinc/74/89/10/987748910.db2.gz DIJJXFPMJVUJQT-CYBMUJFWSA-N 2 1 228.380 1.661 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2C=C(N)C=CC2)C[C@H](CC)[NH2+]1 ZINC001246356007 987764335 /nfs/dbraw/zinc/76/43/35/987764335.db2.gz RIKSHQQUOLEZRX-WDNDVIMCSA-N 2 1 235.375 1.968 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C=C(N)C=CC2)C[C@H](CC)[NH2+]1 ZINC001246356007 987764340 /nfs/dbraw/zinc/76/43/40/987764340.db2.gz RIKSHQQUOLEZRX-WDNDVIMCSA-N 2 1 235.375 1.968 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246355591 987764893 /nfs/dbraw/zinc/76/48/93/987764893.db2.gz KCZVEERMAINSRY-JTNHKYCSSA-N 2 1 231.343 1.883 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CCC3)C2)CC[NH2+]1 ZINC001246359339 987766951 /nfs/dbraw/zinc/76/69/51/987766951.db2.gz AWXVCTOLXNIVDW-AGIUHOORSA-N 2 1 237.391 1.343 20 0 BDADMP C(C1CC1)C1([NH2+][C@H]2CCC[NH2+]C2)CCOCC1 ZINC001246412129 987790439 /nfs/dbraw/zinc/79/04/39/987790439.db2.gz STGMSSMJEGGHAD-ZDUSSCGKSA-N 2 1 238.375 1.677 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cncn2CC2CC2)CC[NH2+]1 ZINC001246426669 987796529 /nfs/dbraw/zinc/79/65/29/987796529.db2.gz IWWNNGRRMZBOIC-DGCLKSJQSA-N 2 1 248.374 1.523 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]C1)C1(CC2CC2)CC1 ZINC001246433217 987799360 /nfs/dbraw/zinc/79/93/60/987799360.db2.gz QVIPPTUCEPLYKH-LBPRGKRZSA-N 2 1 208.349 1.908 20 0 BDADMP CC[C@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453907 987809455 /nfs/dbraw/zinc/80/94/55/987809455.db2.gz RAIUOWJQYSMBTL-STQMWFEESA-N 3 1 227.396 1.483 20 0 BDADMP CC[C@@H](CC(C)C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246454915 987809613 /nfs/dbraw/zinc/80/96/13/987809613.db2.gz VFYMLNSCHWYAON-ZDUSSCGKSA-N 3 1 229.412 1.729 20 0 BDADMP CC1(C)CCC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246455056 987813576 /nfs/dbraw/zinc/81/35/76/987813576.db2.gz WFOWTIRJMOTGRR-CYBMUJFWSA-N 3 1 241.423 1.873 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)C[NH2+]1 ZINC001246460851 987819639 /nfs/dbraw/zinc/81/96/39/987819639.db2.gz KFOHMPZZMRTUFA-CYDGBPFRSA-N 2 1 226.364 1.410 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCC[C@H]1[NH3+])C2 ZINC001246479329 987837380 /nfs/dbraw/zinc/83/73/80/987837380.db2.gz TVMVXWUKNZQEBA-ITGHMWBKSA-N 2 1 237.391 1.471 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246485558 987839956 /nfs/dbraw/zinc/83/99/56/987839956.db2.gz AXBXJPCVLGXXMX-STQMWFEESA-N 2 1 225.380 1.272 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488887 987845055 /nfs/dbraw/zinc/84/50/55/987845055.db2.gz MIRYBOYSZDBIOC-NEPJUHHUSA-N 2 1 213.369 1.106 20 0 BDADMP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488616 987845298 /nfs/dbraw/zinc/84/52/98/987845298.db2.gz LCKICWRCCZFMEW-IHRRRGAJSA-N 2 1 241.423 1.742 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C[NH2+]1 ZINC001246504371 987858810 /nfs/dbraw/zinc/85/88/10/987858810.db2.gz PUGLIGHPALONAT-QEJZJMRPSA-N 2 1 248.370 1.493 20 0 BDADMP [NH3+]C[C@@H](N[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC001246508278 987862021 /nfs/dbraw/zinc/86/20/21/987862021.db2.gz UBVPPTNSDVSDQS-CBBWQLFWSA-N 2 1 245.370 1.274 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC001246511487 987862478 /nfs/dbraw/zinc/86/24/78/987862478.db2.gz BWEMTUNHMZKQRN-MCIONIFRSA-N 2 1 239.407 1.447 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC001246511484 987863210 /nfs/dbraw/zinc/86/32/10/987863210.db2.gz BWEMTUNHMZKQRN-HZSPNIEDSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CCCSC2)C[C@H]1C[NH3+] ZINC001246542245 987867043 /nfs/dbraw/zinc/86/70/43/987867043.db2.gz NZHGKQOZUBGAQC-HBNTYKKESA-N 2 1 214.378 1.409 20 0 BDADMP CCCC[N@@H+](CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246521315 987869509 /nfs/dbraw/zinc/86/95/09/987869509.db2.gz OHAARLWQBCIEGQ-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP CCCCC[N@@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522732 987873369 /nfs/dbraw/zinc/87/33/69/987873369.db2.gz BSYRSRFTLSRAPP-GFCCVEGCSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246526400 987878970 /nfs/dbraw/zinc/87/89/70/987878970.db2.gz BLGNPDQRYCWQNX-FGNRJIRKSA-N 2 1 210.321 1.120 20 0 BDADMP C1CO[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246526246 987879613 /nfs/dbraw/zinc/87/96/13/987879613.db2.gz OQSRLTPNHLAJJK-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP C1CO[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246526246 987879621 /nfs/dbraw/zinc/87/96/21/987879621.db2.gz OQSRLTPNHLAJJK-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246530602 987886064 /nfs/dbraw/zinc/88/60/64/987886064.db2.gz NERGKGVIUXQZEB-MELADBBJSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246530602 987886070 /nfs/dbraw/zinc/88/60/70/987886070.db2.gz NERGKGVIUXQZEB-MELADBBJSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246530602 987886074 /nfs/dbraw/zinc/88/60/74/987886074.db2.gz NERGKGVIUXQZEB-MELADBBJSA-N 2 1 237.391 1.332 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246531359 987887205 /nfs/dbraw/zinc/88/72/05/987887205.db2.gz PWMOYYZMTSBCRJ-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246531359 987887208 /nfs/dbraw/zinc/88/72/08/987887208.db2.gz PWMOYYZMTSBCRJ-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H](Cc1ccccn1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246536815 987894306 /nfs/dbraw/zinc/89/43/06/987894306.db2.gz FFBSADWSKYDQRP-SCRDCRAPSA-N 2 1 233.359 1.824 20 0 BDADMP C[C@H](Cc1ccccn1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246536815 987894311 /nfs/dbraw/zinc/89/43/11/987894311.db2.gz FFBSADWSKYDQRP-SCRDCRAPSA-N 2 1 233.359 1.824 20 0 BDADMP C[C@@H](Cc1ccco1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538520 987897149 /nfs/dbraw/zinc/89/71/49/987897149.db2.gz CIEOOUZRMLZRJF-SDDRHHMPSA-N 2 1 222.332 1.737 20 0 BDADMP CC[C@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540729 987900499 /nfs/dbraw/zinc/90/04/99/987900499.db2.gz KAMXNZYKHFLTAN-QNWHQSFQSA-N 3 1 225.380 1.044 20 0 BDADMP CC[C@H]1C[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540729 987900504 /nfs/dbraw/zinc/90/05/04/987900504.db2.gz KAMXNZYKHFLTAN-QNWHQSFQSA-N 3 1 225.380 1.044 20 0 BDADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC001246544592 987917044 /nfs/dbraw/zinc/91/70/44/987917044.db2.gz RGAHBCGCVQIITC-RYUDHWBXSA-N 2 1 244.404 1.058 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2CCC3(COC3)CC2)CC1 ZINC001246546913 987925105 /nfs/dbraw/zinc/92/51/05/987925105.db2.gz NXDYJPFJIUYIIR-GFCCVEGCSA-N 2 1 238.375 1.759 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546231 987927524 /nfs/dbraw/zinc/92/75/24/987927524.db2.gz ZBHAZFQZGSSIKL-ZIAGYGMSSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)CC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546228 987928095 /nfs/dbraw/zinc/92/80/95/987928095.db2.gz ZBHAZFQZGSSIKL-KBPBESRZSA-N 2 1 242.407 1.987 20 0 BDADMP COC[C@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246547752 987928921 /nfs/dbraw/zinc/92/89/21/987928921.db2.gz NHWGIJJLNODHPZ-GRYCIOLGSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCSC2)CC1 ZINC001246549173 987936427 /nfs/dbraw/zinc/93/64/27/987936427.db2.gz HOFIJIRDNYGTMG-QWRGUYRKSA-N 2 1 214.378 1.695 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC2(COC2)CC1 ZINC001246549294 987936622 /nfs/dbraw/zinc/93/66/22/987936622.db2.gz JJSZNCNFJXOSAF-ZYHUDNBSSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH2+]CC2)CC[C@]1(C)O ZINC001246551186 987942869 /nfs/dbraw/zinc/94/28/69/987942869.db2.gz PPPVFLIZFUURMA-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)CC[C@]1(C)O ZINC001246551183 987944992 /nfs/dbraw/zinc/94/49/92/987944992.db2.gz PPPVFLIZFUURMA-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246552947 987953971 /nfs/dbraw/zinc/95/39/71/987953971.db2.gz WLRZJHXSTBGJDS-OLZOCXBDSA-N 3 1 243.370 1.281 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](O)CC2)CC[NH2+]1 ZINC001246551905 987954288 /nfs/dbraw/zinc/95/42/88/987954288.db2.gz NVVWNFMKJMAQBY-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246555547 987966190 /nfs/dbraw/zinc/96/61/90/987966190.db2.gz BZHQQUAQEYGCBY-GXTWGEPZSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246556230 987970373 /nfs/dbraw/zinc/97/03/73/987970373.db2.gz YUCLTAQBKQAEHJ-CRWXNKLISA-N 3 1 239.407 1.719 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246556230 987970377 /nfs/dbraw/zinc/97/03/77/987970377.db2.gz YUCLTAQBKQAEHJ-CRWXNKLISA-N 3 1 239.407 1.719 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])N([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001246558402 987978743 /nfs/dbraw/zinc/97/87/43/987978743.db2.gz QBJCNHZWIHJBOG-MCIONIFRSA-N 2 1 239.407 1.530 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246558482 987979131 /nfs/dbraw/zinc/97/91/31/987979131.db2.gz LDDCKFBLTGCTOI-MCIONIFRSA-N 2 1 240.391 1.741 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC001118058464 988002176 /nfs/dbraw/zinc/00/21/76/988002176.db2.gz KHJFXKWKDUPNAY-PWSUYJOCSA-N 2 1 236.363 1.385 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246563541 988004426 /nfs/dbraw/zinc/00/44/26/988004426.db2.gz VHLATRKRJMQHPQ-UPJWGTAASA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246564673 988017060 /nfs/dbraw/zinc/01/70/60/988017060.db2.gz YGXOUROQZSRLST-NELGMTEASA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1N ZINC001246564673 988017071 /nfs/dbraw/zinc/01/70/71/988017071.db2.gz YGXOUROQZSRLST-NELGMTEASA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1N ZINC001246564673 988017087 /nfs/dbraw/zinc/01/70/87/988017087.db2.gz YGXOUROQZSRLST-NELGMTEASA-N 2 1 237.391 1.188 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C2 ZINC001246567105 988026503 /nfs/dbraw/zinc/02/65/03/988026503.db2.gz KTDMBRWMHOQNED-RIEGTJTDSA-N 2 1 246.354 1.441 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C2 ZINC001246567105 988026519 /nfs/dbraw/zinc/02/65/19/988026519.db2.gz KTDMBRWMHOQNED-RIEGTJTDSA-N 2 1 246.354 1.441 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2)CCC[C@H]1C[NH3+] ZINC001246567380 988034405 /nfs/dbraw/zinc/03/44/05/988034405.db2.gz KSKRDEMTNJDAHI-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2)CCC[C@H]1C[NH3+] ZINC001246567380 988034422 /nfs/dbraw/zinc/03/44/22/988034422.db2.gz KSKRDEMTNJDAHI-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](F)C2)CC[NH2+]1 ZINC001246568331 988038362 /nfs/dbraw/zinc/03/83/62/988038362.db2.gz QWZWZAIMSPCMCZ-IJLUTSLNSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](F)C2)CC[NH2+]1 ZINC001246568331 988038382 /nfs/dbraw/zinc/03/83/82/988038382.db2.gz QWZWZAIMSPCMCZ-IJLUTSLNSA-N 2 1 214.328 1.951 20 0 BDADMP C[N@H+]1CCC[C@H](N2C[C@@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246569289 988040293 /nfs/dbraw/zinc/04/02/93/988040293.db2.gz DHPGCBQIAQVKKL-QWRGUYRKSA-N 2 1 247.333 1.139 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246569078 988041120 /nfs/dbraw/zinc/04/11/20/988041120.db2.gz PTRAUMDBKGXJLQ-AAVRWANBSA-N 2 1 240.391 1.861 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246568507 988043440 /nfs/dbraw/zinc/04/34/40/988043440.db2.gz OPSAFIYFDKDCOS-GRYCIOLGSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001246570762 988049296 /nfs/dbraw/zinc/04/92/96/988049296.db2.gz VJOFQHFFTRSHNG-NWDGAFQWSA-N 2 1 225.380 1.045 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246573450 988067070 /nfs/dbraw/zinc/06/70/70/988067070.db2.gz COQFZENLOMTWPH-QWHCGFSZSA-N 2 1 243.370 1.234 20 0 BDADMP C[C@H]([NH3+])[C@H](C)c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001118171856 988071961 /nfs/dbraw/zinc/07/19/61/988071961.db2.gz HWIMVPRTVXVZIJ-QXEWZRGKSA-N 2 1 246.314 1.568 20 0 BDADMP CC(C)CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246573689 988073591 /nfs/dbraw/zinc/07/35/91/988073591.db2.gz ZBNYGPBGXZQUPH-YNEHKIRRSA-N 2 1 228.380 1.595 20 0 BDADMP C[C@]1(CF)CC[N@@H+]([C@H]2CCC[NH2+]C2)C1 ZINC001246576620 988080653 /nfs/dbraw/zinc/08/06/53/988080653.db2.gz LVINYFZXCCYERD-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@]1(CF)CC[N@H+]([C@H]2CCC[NH2+]C2)C1 ZINC001246576620 988080673 /nfs/dbraw/zinc/08/06/73/988080673.db2.gz LVINYFZXCCYERD-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580073 988100427 /nfs/dbraw/zinc/10/04/27/988100427.db2.gz KPRXBIDGIPROGO-RFGFWPKPSA-N 2 1 242.407 1.843 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCSC2)CC[C@@H]1F ZINC001246578711 988104254 /nfs/dbraw/zinc/10/42/54/988104254.db2.gz BLRGKYWDIYLBDD-LPEHRKFASA-N 2 1 218.341 1.253 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCSC2)CC[C@@H]1F ZINC001246578711 988104265 /nfs/dbraw/zinc/10/42/65/988104265.db2.gz BLRGKYWDIYLBDD-LPEHRKFASA-N 2 1 218.341 1.253 20 0 BDADMP C[C@H]1C[C@@H](CF)[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246580858 988112288 /nfs/dbraw/zinc/11/22/88/988112288.db2.gz NYLGPPXPBUDYKP-BJDJZHNGSA-N 2 1 214.328 1.807 20 0 BDADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583657 988121688 /nfs/dbraw/zinc/12/16/88/988121688.db2.gz KPRXBIDGIPROGO-RFQIPJPRSA-N 2 1 242.407 1.843 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246582939 988125969 /nfs/dbraw/zinc/12/59/69/988125969.db2.gz PILGMMDKILXTTP-NEPJUHHUSA-N 3 1 213.369 1.045 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246582939 988125986 /nfs/dbraw/zinc/12/59/86/988125986.db2.gz PILGMMDKILXTTP-NEPJUHHUSA-N 3 1 213.369 1.045 20 0 BDADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587518 988145979 /nfs/dbraw/zinc/14/59/79/988145979.db2.gz GWUUDKKXUVPAFB-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246593404 988176866 /nfs/dbraw/zinc/17/68/66/988176866.db2.gz MSEPVVWXXIOOIK-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP CCC[C@H](CC)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599777 988205579 /nfs/dbraw/zinc/20/55/79/988205579.db2.gz DSDVGACPEAOJIK-ZDUSSCGKSA-N 2 1 239.407 1.593 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246610081 988235013 /nfs/dbraw/zinc/23/50/13/988235013.db2.gz ORDYNMDJIPYQKJ-KBPBESRZSA-N 2 1 237.391 1.299 20 0 BDADMP C[C@@H]1CCC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246621945 988263385 /nfs/dbraw/zinc/26/33/85/988263385.db2.gz FGUHBUUUOMCWEC-RDBSUJKOSA-N 2 1 237.391 1.202 20 0 BDADMP CCCCC[C@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246624604 988279153 /nfs/dbraw/zinc/27/91/53/988279153.db2.gz OBGNJTSECSMZGV-KBPBESRZSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246644244 988353819 /nfs/dbraw/zinc/35/38/19/988353819.db2.gz RHLWSDRQMQGRMN-RDBSUJKOSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCCO[C@H]3C2)CC[NH2+]1 ZINC001246646765 988364463 /nfs/dbraw/zinc/36/44/63/988364463.db2.gz HWWDQJPFDIZDQZ-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246661301 988393305 /nfs/dbraw/zinc/39/33/05/988393305.db2.gz LAJOPWKEMIYYIE-CMPLNLGQSA-N 2 1 234.347 1.148 20 0 BDADMP C1[C@@H]2[C@H]1NCC[N@@H+]2C1CCC2(CC[NH2+]CC2)CC1 ZINC001246659790 988393336 /nfs/dbraw/zinc/39/33/36/988393336.db2.gz HFCCNPXUWIMIRY-UONOGXRCSA-N 2 1 249.402 1.345 20 0 BDADMP C1[C@@H]2[C@H]1[NH2+]CCN2C1CCC2(CC[NH2+]CC2)CC1 ZINC001246659790 988393348 /nfs/dbraw/zinc/39/33/48/988393348.db2.gz HFCCNPXUWIMIRY-UONOGXRCSA-N 2 1 249.402 1.345 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246667177 988412805 /nfs/dbraw/zinc/41/28/05/988412805.db2.gz YBSKBUWEFQOCLM-KXSLGULGSA-N 3 1 237.391 1.185 20 0 BDADMP C[C@H]1CNCC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246671079 988415081 /nfs/dbraw/zinc/41/50/81/988415081.db2.gz GKIXBDVUIHOWML-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1C[NH2+]CCN1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246671079 988415087 /nfs/dbraw/zinc/41/50/87/988415087.db2.gz GKIXBDVUIHOWML-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[C@@H](N2C[C@H](C)[N@@H+](C)C[C@H]2C)C[NH2+]1 ZINC001246688235 988435465 /nfs/dbraw/zinc/43/54/65/988435465.db2.gz DNRCMPARTOHLRM-YVECIDJPSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246687612 988439331 /nfs/dbraw/zinc/43/93/31/988439331.db2.gz AWJJZOAAYKLIJU-WUHRBBMRSA-N 2 1 225.380 1.151 20 0 BDADMP COCC[C@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC001246788593 988469452 /nfs/dbraw/zinc/46/94/52/988469452.db2.gz UKNVZYIHQXCSRK-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP c1cncc([C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246791698 988470462 /nfs/dbraw/zinc/47/04/62/988470462.db2.gz LUFRXHBKGVULNZ-CYBMUJFWSA-N 2 1 231.343 1.623 20 0 BDADMP c1ccc([C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)nc1 ZINC001246799332 988478540 /nfs/dbraw/zinc/47/85/40/988478540.db2.gz YLHLHSCCAMQIMB-GFCCVEGCSA-N 2 1 231.343 1.623 20 0 BDADMP C1[NH2+]CC12C[C@H]([N@H+]1CCC3(CCCC3)C1)CCN2 ZINC001246809001 988490268 /nfs/dbraw/zinc/49/02/68/988490268.db2.gz WDYWTULAWXZWSK-CYBMUJFWSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12C[N@H+](C1CCC3(CC[NH2+]C3)CC1)CCN2 ZINC001246835754 988533853 /nfs/dbraw/zinc/53/38/53/988533853.db2.gz UPSDXCFKVLXTND-UHFFFAOYSA-N 2 1 249.402 1.347 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843064 988548345 /nfs/dbraw/zinc/54/83/45/988548345.db2.gz AWBDMPZPCZNEDL-VXGBXAGGSA-N 2 1 237.391 1.058 20 0 BDADMP C1C[C@]2(C[N@@H+]1[C@@H]1CCC[NH2+]C1)CCCOC2 ZINC001246850687 988566690 /nfs/dbraw/zinc/56/66/90/988566690.db2.gz CWZRXNSIOAKOIE-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@]2(C[N@H+]1[C@@H]1CCC[NH2+]C1)CCCOC2 ZINC001246850687 988566694 /nfs/dbraw/zinc/56/66/94/988566694.db2.gz CWZRXNSIOAKOIE-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246853250 988572770 /nfs/dbraw/zinc/57/27/70/988572770.db2.gz LJJHBIKVPGLIPC-MROQNXINSA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001246855674 988579107 /nfs/dbraw/zinc/57/91/07/988579107.db2.gz VCEHXFFWHMDBME-XUJVJEKNSA-N 2 1 246.329 1.716 20 0 BDADMP CCC[C@H](CC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858745 988588903 /nfs/dbraw/zinc/58/89/03/988588903.db2.gz GKQMJHPTGODUHV-FXJUQPSGSA-N 2 1 226.364 1.471 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246859596 988593102 /nfs/dbraw/zinc/59/31/02/988593102.db2.gz GGAWUBIBEOVSJT-RTXFEEFZSA-N 2 1 224.348 1.570 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246859596 988593126 /nfs/dbraw/zinc/59/31/26/988593126.db2.gz GGAWUBIBEOVSJT-RTXFEEFZSA-N 2 1 224.348 1.570 20 0 BDADMP CCC[C@@H](CC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858743 988595076 /nfs/dbraw/zinc/59/50/76/988595076.db2.gz GKQMJHPTGODUHV-DAAZQVBGSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246866982 988618540 /nfs/dbraw/zinc/61/85/40/988618540.db2.gz LPYGZTLPUXUOJJ-DGCLKSJQSA-N 3 1 248.374 1.663 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001246868729 988628960 /nfs/dbraw/zinc/62/89/60/988628960.db2.gz KXSZGXZYOCUPQW-CFVMTHIKSA-N 2 1 246.329 1.716 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001246868729 988628968 /nfs/dbraw/zinc/62/89/68/988628968.db2.gz KXSZGXZYOCUPQW-CFVMTHIKSA-N 2 1 246.329 1.716 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCc2cc(N)ccc2C1 ZINC001246890380 988658315 /nfs/dbraw/zinc/65/83/15/988658315.db2.gz ULTGNMNISWNIQY-LLVKDONJSA-N 2 1 233.359 1.625 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+](C)CCO)C[C@H](CC)[NH2+]1 ZINC001246915947 988706919 /nfs/dbraw/zinc/70/69/19/988706919.db2.gz ZJRLMPSCWPUVLY-GDNZZTSVSA-N 2 1 214.353 1.220 20 0 BDADMP NC[C@H]1CCC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246917608 988720006 /nfs/dbraw/zinc/72/00/06/988720006.db2.gz RQOGZSDQEAITFE-MCIONIFRSA-N 2 1 237.391 1.332 20 0 BDADMP NC[C@H]1CCC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246917605 988722284 /nfs/dbraw/zinc/72/22/84/988722284.db2.gz RQOGZSDQEAITFE-BFHYXJOUSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC001246919493 988722906 /nfs/dbraw/zinc/72/29/06/988722906.db2.gz NINLNVKXPLGNEA-NAWOPXAZSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC001246919493 988722928 /nfs/dbraw/zinc/72/29/28/988722928.db2.gz NINLNVKXPLGNEA-NAWOPXAZSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCO1 ZINC001246929320 988747749 /nfs/dbraw/zinc/74/77/49/988747749.db2.gz DVBKNXOADZPWHR-MQYQWHSLSA-N 2 1 238.375 1.485 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246925075 988753546 /nfs/dbraw/zinc/75/35/46/988753546.db2.gz LKSMNKKTYCPKOQ-XJFOESAGSA-N 2 1 237.391 1.058 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@H]1CCCSC1 ZINC001246935687 988768550 /nfs/dbraw/zinc/76/85/50/988768550.db2.gz WIXOQUWBQNKIFT-XQQFMLRXSA-N 2 1 240.416 1.813 20 0 BDADMP C[C@H]1CN(C2CCC3(C[NH2+]C3)CC2)C[C@H](C)[NH2+]1 ZINC001246945646 988782000 /nfs/dbraw/zinc/78/20/00/988782000.db2.gz WQZORWUKEDNZGD-RYUDHWBXSA-N 2 1 237.391 1.201 20 0 BDADMP CC[N@@H+](C)C1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246948886 988789869 /nfs/dbraw/zinc/78/98/69/988789869.db2.gz GKUNXDPYYHARLD-JSGCOSHPSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccncc1 ZINC001246980859 988810564 /nfs/dbraw/zinc/81/05/64/988810564.db2.gz LYHMVSDTIGIZBU-QWRGUYRKSA-N 2 1 207.321 1.292 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccncc1 ZINC001246980859 988810570 /nfs/dbraw/zinc/81/05/70/988810570.db2.gz LYHMVSDTIGIZBU-QWRGUYRKSA-N 2 1 207.321 1.292 20 0 BDADMP CC1(C)CCC[C@H]([N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001246992984 988825008 /nfs/dbraw/zinc/82/50/08/988825008.db2.gz YCONMVLGEDVFSJ-NWDGAFQWSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001246992984 988825010 /nfs/dbraw/zinc/82/50/10/988825010.db2.gz YCONMVLGEDVFSJ-NWDGAFQWSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246991483 988826184 /nfs/dbraw/zinc/82/61/84/988826184.db2.gz TZTGIXLJTABKGZ-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246991483 988826185 /nfs/dbraw/zinc/82/61/85/988826185.db2.gz TZTGIXLJTABKGZ-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC001246997927 988831262 /nfs/dbraw/zinc/83/12/62/988831262.db2.gz WDWGGQBVTRAPLR-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+](C3CCSCC3)C[C@H]2C1 ZINC001247013118 988838659 /nfs/dbraw/zinc/83/86/59/988838659.db2.gz FVZISJGXGHJQIP-DGCLKSJQSA-N 2 1 240.416 1.956 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+](C3CCSCC3)C[C@H]2C1 ZINC001247013118 988838653 /nfs/dbraw/zinc/83/86/53/988838653.db2.gz FVZISJGXGHJQIP-DGCLKSJQSA-N 2 1 240.416 1.956 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001247012509 988838674 /nfs/dbraw/zinc/83/86/74/988838674.db2.gz DVHPTRSUTRKMCP-YNEHKIRRSA-N 2 1 240.416 1.956 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001247012509 988838676 /nfs/dbraw/zinc/83/86/76/988838676.db2.gz DVHPTRSUTRKMCP-YNEHKIRRSA-N 2 1 240.416 1.956 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247014492 988840664 /nfs/dbraw/zinc/84/06/64/988840664.db2.gz KLZINODFVZAPPW-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247014492 988840666 /nfs/dbraw/zinc/84/06/66/988840666.db2.gz KLZINODFVZAPPW-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016401 988845102 /nfs/dbraw/zinc/84/51/02/988845102.db2.gz UUFLRNCFEQMMGF-MELADBBJSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1ccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)nc1 ZINC001247507559 988907918 /nfs/dbraw/zinc/90/79/18/988907918.db2.gz LJXJYTPPKUYKTO-SECBINFHSA-N 2 1 247.302 1.179 20 0 BDADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cccnc2)no1 ZINC001247701486 988993104 /nfs/dbraw/zinc/99/31/04/988993104.db2.gz PVRGVAQYNSINEC-SNVBAGLBSA-N 2 1 247.302 1.260 20 0 BDADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1F ZINC001325625561 989220283 /nfs/dbraw/zinc/22/02/83/989220283.db2.gz LRDIIAFFBGOWPR-UHFFFAOYSA-N 2 1 238.306 1.805 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC001119688508 989332335 /nfs/dbraw/zinc/33/23/35/989332335.db2.gz HLSMUQIBWOPCFZ-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326202519 989421419 /nfs/dbraw/zinc/42/14/19/989421419.db2.gz RDDYKDGBRFIARC-CYBMUJFWSA-N 2 1 240.391 1.735 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC001326688532 989653305 /nfs/dbraw/zinc/65/33/05/989653305.db2.gz SOBVYCRYRQUVEM-QJPTWQEYSA-N 2 1 241.379 1.103 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001120521370 989694346 /nfs/dbraw/zinc/69/43/46/989694346.db2.gz JPEYIHDJNGVGFF-QJPTWQEYSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)[C@H](CNc1cc[nH+]c(N)n1)[NH+]1CCCC1 ZINC001120796637 989887470 /nfs/dbraw/zinc/88/74/70/989887470.db2.gz CRGIQPQWXVVSDC-NSHDSACASA-N 2 1 249.362 1.591 20 0 BDADMP CC(C)C[N@@H+](C)CCCNc1cc(N)ncn1 ZINC001120857856 989926555 /nfs/dbraw/zinc/92/65/55/989926555.db2.gz NUTJEANSHRXEMP-UHFFFAOYSA-N 2 1 237.351 1.449 20 0 BDADMP CC(C)C[N@H+](C)CCCNc1cc(N)[nH+]cn1 ZINC001120857856 989926567 /nfs/dbraw/zinc/92/65/67/989926567.db2.gz NUTJEANSHRXEMP-UHFFFAOYSA-N 2 1 237.351 1.449 20 0 BDADMP CC(C)C[N@@H+](C)CCCNc1cc(N)[nH+]cn1 ZINC001120857856 989926577 /nfs/dbraw/zinc/92/65/77/989926577.db2.gz NUTJEANSHRXEMP-UHFFFAOYSA-N 2 1 237.351 1.449 20 0 BDADMP CC(C)C[N@H+](C)CCCNc1cc(N)nc[nH+]1 ZINC001120857856 989926584 /nfs/dbraw/zinc/92/65/84/989926584.db2.gz NUTJEANSHRXEMP-UHFFFAOYSA-N 2 1 237.351 1.449 20 0 BDADMP CC(C)C[N@@H+](C)CCCNc1cc(N)nc[nH+]1 ZINC001120857856 989926594 /nfs/dbraw/zinc/92/65/94/989926594.db2.gz NUTJEANSHRXEMP-UHFFFAOYSA-N 2 1 237.351 1.449 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001524167058 989979242 /nfs/dbraw/zinc/97/92/42/989979242.db2.gz AZWVLHLQXZHAGV-HAQNSBGRSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)=CCC[C@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258075787 990972371 /nfs/dbraw/zinc/97/23/71/990972371.db2.gz DYHRXTZTFKXNJG-STQMWFEESA-N 2 1 226.364 1.781 20 0 BDADMP CC(C)=CCC[C@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258075787 990972378 /nfs/dbraw/zinc/97/23/78/990972378.db2.gz DYHRXTZTFKXNJG-STQMWFEESA-N 2 1 226.364 1.781 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001258113459 991023385 /nfs/dbraw/zinc/02/33/85/991023385.db2.gz WCUIQJNZOGPIHO-NWDGAFQWSA-N 2 1 244.379 1.635 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCn3ccnc32)C1 ZINC001308810469 991149899 /nfs/dbraw/zinc/14/98/99/991149899.db2.gz GWPCAHVXKSUSPZ-CHWSQXEVSA-N 2 1 248.374 1.649 20 0 BDADMP COC(=O)CC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001258365479 991306312 /nfs/dbraw/zinc/30/63/12/991306312.db2.gz ZBSMUQUMBZWCGN-NSHDSACASA-N 2 1 230.352 1.212 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055577 991373629 /nfs/dbraw/zinc/37/36/29/991373629.db2.gz FZFDSARDYGHUEL-UPJWGTAASA-N 2 1 246.358 1.421 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001560055577 991373640 /nfs/dbraw/zinc/37/36/40/991373640.db2.gz FZFDSARDYGHUEL-UPJWGTAASA-N 2 1 246.358 1.421 20 0 BDADMP C[C@H](c1cnccn1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001560055577 991373651 /nfs/dbraw/zinc/37/36/51/991373651.db2.gz FZFDSARDYGHUEL-UPJWGTAASA-N 2 1 246.358 1.421 20 0 BDADMP C[C@H](c1cnccn1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001560055577 991373661 /nfs/dbraw/zinc/37/36/61/991373661.db2.gz FZFDSARDYGHUEL-UPJWGTAASA-N 2 1 246.358 1.421 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)CC1CC1 ZINC001258450661 991399128 /nfs/dbraw/zinc/39/91/28/991399128.db2.gz STXWJWISBBHCDW-PWSUYJOCSA-N 2 1 242.363 1.435 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)CC1CC1 ZINC001258450660 991400784 /nfs/dbraw/zinc/40/07/84/991400784.db2.gz STXWJWISBBHCDW-JQWIXIFHSA-N 2 1 242.363 1.435 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)nc3)[C@H]2C1 ZINC001560623159 991522830 /nfs/dbraw/zinc/52/28/30/991522830.db2.gz QQOPBBWEOTYTID-AVGNSLFASA-N 2 1 249.333 1.651 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)nc3)[C@H]2C1 ZINC001560623159 991522842 /nfs/dbraw/zinc/52/28/42/991522842.db2.gz QQOPBBWEOTYTID-AVGNSLFASA-N 2 1 249.333 1.651 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cccc(F)n3)C2)CC1 ZINC001140134588 991540066 /nfs/dbraw/zinc/54/00/66/991540066.db2.gz PPBHJLVPDBJHFD-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP CCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317468289 991540351 /nfs/dbraw/zinc/54/03/51/991540351.db2.gz VGZUEQPNXUESJQ-LBPRGKRZSA-N 2 1 243.395 1.031 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCO2)CC1 ZINC001560733761 991577318 /nfs/dbraw/zinc/57/73/18/991577318.db2.gz YZSYMVPBUKQPOQ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC001560763912 991588154 /nfs/dbraw/zinc/58/81/54/991588154.db2.gz QHXLUUVRKLWQFF-UONOGXRCSA-N 2 1 238.375 1.033 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](C)OC ZINC001560811190 991611819 /nfs/dbraw/zinc/61/18/19/991611819.db2.gz BFTXQIKMHYIVMU-NSHDSACASA-N 2 1 202.342 1.295 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[nH]n1 ZINC001318368010 991651986 /nfs/dbraw/zinc/65/19/86/991651986.db2.gz PKOPNIKOAYYGRU-NSHDSACASA-N 2 1 234.347 1.292 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[nH]n1 ZINC001318368010 991651994 /nfs/dbraw/zinc/65/19/94/991651994.db2.gz PKOPNIKOAYYGRU-NSHDSACASA-N 2 1 234.347 1.292 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2F)CC1 ZINC001258766787 991726343 /nfs/dbraw/zinc/72/63/43/991726343.db2.gz AILQLYDHSJIQNY-CHWSQXEVSA-N 2 1 244.354 1.577 20 0 BDADMP CCC[NH+]1CCC([NH2+]CC(C)(OC)OC)CC1 ZINC001258768390 991729433 /nfs/dbraw/zinc/72/94/33/991729433.db2.gz LYMJGFDGZUQLEW-UHFFFAOYSA-N 2 1 244.379 1.459 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2COC)CC1 ZINC001258771541 991741675 /nfs/dbraw/zinc/74/16/75/991741675.db2.gz IGJCVRDLZVVVBK-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2COC)CC1 ZINC001258771541 991741686 /nfs/dbraw/zinc/74/16/86/991741686.db2.gz IGJCVRDLZVVVBK-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC001319189384 991811782 /nfs/dbraw/zinc/81/17/82/991811782.db2.gz FSHVKRIEVBXEJN-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CCC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001258811293 991819620 /nfs/dbraw/zinc/81/96/20/991819620.db2.gz XRRTZYORAHVNAA-UTUOFQBUSA-N 2 1 237.347 1.496 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1CN ZINC001258899014 991896250 /nfs/dbraw/zinc/89/62/50/991896250.db2.gz BANGSNQCKCSGQS-KBPBESRZSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001258899014 991896255 /nfs/dbraw/zinc/89/62/55/991896255.db2.gz BANGSNQCKCSGQS-KBPBESRZSA-N 3 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001258899014 991896267 /nfs/dbraw/zinc/89/62/67/991896267.db2.gz BANGSNQCKCSGQS-KBPBESRZSA-N 3 1 241.423 1.920 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cn(C(C)C)nc1C ZINC001261370794 992275216 /nfs/dbraw/zinc/27/52/16/992275216.db2.gz UQRNEOBIIMEFNI-LLVKDONJSA-N 2 1 238.379 1.860 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cn(C(C)C)nc1C ZINC001261370795 992279611 /nfs/dbraw/zinc/27/96/11/992279611.db2.gz UQRNEOBIIMEFNI-NSHDSACASA-N 2 1 238.379 1.860 20 0 BDADMP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)[nH]n1 ZINC001320677197 992309577 /nfs/dbraw/zinc/30/95/77/992309577.db2.gz PTCRNSIYBMEDTB-UHFFFAOYSA-N 2 1 248.374 1.778 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)[nH]n1 ZINC001320677197 992309586 /nfs/dbraw/zinc/30/95/86/992309586.db2.gz PTCRNSIYBMEDTB-UHFFFAOYSA-N 2 1 248.374 1.778 20 0 BDADMP C(C1=NOCC1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001574773882 992903148 /nfs/dbraw/zinc/90/31/48/992903148.db2.gz GDLWVSCLZORCRA-NWDGAFQWSA-N 2 1 237.347 1.084 20 0 BDADMP C1CC2(C1)CC([NH2+][C@H]1C[C@H]3CC[C@@H]1[NH2+]3)C2 ZINC001574795704 992911562 /nfs/dbraw/zinc/91/15/62/992911562.db2.gz OWJWZPUSGHXTRP-USWWRNFRSA-N 2 1 206.333 1.802 20 0 BDADMP CC(=O)Nc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001575028865 992969780 /nfs/dbraw/zinc/96/97/80/992969780.db2.gz IKBDKTNBFWQEAV-TXEJJXNPSA-N 2 1 233.315 1.224 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C1CSC1 ZINC001575130468 992991919 /nfs/dbraw/zinc/99/19/19/992991919.db2.gz NDWUOCRPHRRJOP-SECBINFHSA-N 2 1 216.394 1.845 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@H]1CCC2(C1)OCCO2 ZINC001575148965 992998624 /nfs/dbraw/zinc/99/86/24/992998624.db2.gz BMNAKLNTZWZGHO-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP CC(C)(CCCO)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC001575301656 993006471 /nfs/dbraw/zinc/00/64/71/993006471.db2.gz FGMJCFLKHHXHLY-SECBINFHSA-N 2 1 238.322 1.357 20 0 BDADMP CC(C)(CCO)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575305379 993008342 /nfs/dbraw/zinc/00/83/42/993008342.db2.gz UCXJUMYDRXTSLX-MRVPVSSYSA-N 2 1 242.285 1.264 20 0 BDADMP Cc1[nH+]ccn1CCCCNc1cc[nH+]cc1 ZINC001262671897 993016255 /nfs/dbraw/zinc/01/62/55/993016255.db2.gz YFWLVIDGMNYYLP-UHFFFAOYSA-N 2 1 230.315 1.901 20 0 BDADMP CC(C)(O)[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001575378642 993027761 /nfs/dbraw/zinc/02/77/61/993027761.db2.gz QEBMSQLYSRVHRY-SDDRHHMPSA-N 2 1 226.364 1.207 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC[C@H]1CCO1 ZINC001575453935 993047221 /nfs/dbraw/zinc/04/72/21/993047221.db2.gz XPHKLHDWOYFACY-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001575473359 993053592 /nfs/dbraw/zinc/05/35/92/993053592.db2.gz UMNQUFIBOONIPI-OCCSQVGLSA-N 2 1 242.407 1.700 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001575566300 993073960 /nfs/dbraw/zinc/07/39/60/993073960.db2.gz UIUGYFFVJYMVFL-MCIONIFRSA-N 2 1 240.391 1.325 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575565730 993074288 /nfs/dbraw/zinc/07/42/88/993074288.db2.gz OPROINVVOLLRIH-HZSPNIEDSA-N 2 1 240.391 1.325 20 0 BDADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)CC[NH3+])CC1 ZINC001575574973 993075050 /nfs/dbraw/zinc/07/50/50/993075050.db2.gz SQDUFRXOVWGVKW-CYBMUJFWSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)CC[N@@H+]1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001575574495 993076201 /nfs/dbraw/zinc/07/62/01/993076201.db2.gz LYDSVLRVBGESRU-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[N@H+]1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001575574495 993076211 /nfs/dbraw/zinc/07/62/11/993076211.db2.gz LYDSVLRVBGESRU-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)COC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001575606435 993076511 /nfs/dbraw/zinc/07/65/11/993076511.db2.gz VRLGFPSHPXQYOR-VXGBXAGGSA-N 2 1 242.363 1.102 20 0 BDADMP CC(C)COC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001575606435 993076520 /nfs/dbraw/zinc/07/65/20/993076520.db2.gz VRLGFPSHPXQYOR-VXGBXAGGSA-N 2 1 242.363 1.102 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575591049 993077221 /nfs/dbraw/zinc/07/72/21/993077221.db2.gz FGRBOMCAXSIMNC-MOKVOYLWSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC001575961246 993141443 /nfs/dbraw/zinc/14/14/43/993141443.db2.gz CRHFXJDIEHNSOD-BBBLOLIVSA-N 2 1 208.309 1.216 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1cn2ccccc2n1 ZINC001575987803 993151928 /nfs/dbraw/zinc/15/19/28/993151928.db2.gz ICZMETKSLSCWCV-JTQLQIEISA-N 2 1 218.304 1.019 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1cn2ccccc2n1 ZINC001575987804 993152340 /nfs/dbraw/zinc/15/23/40/993152340.db2.gz ICZMETKSLSCWCV-SNVBAGLBSA-N 2 1 218.304 1.019 20 0 BDADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001576053027 993168240 /nfs/dbraw/zinc/16/82/40/993168240.db2.gz RNFNYNIDUDJVOX-WDMOLILDSA-N 2 1 234.343 1.663 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC001576102763 993181452 /nfs/dbraw/zinc/18/14/52/993181452.db2.gz HMMYSQRTSTWNGA-YUMQZZPRSA-N 2 1 220.276 1.048 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001576116918 993187556 /nfs/dbraw/zinc/18/75/56/993187556.db2.gz BSJUKTMSXBVANK-ZYHUDNBSSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001576155713 993194506 /nfs/dbraw/zinc/19/45/06/993194506.db2.gz BOVWXTWFTJUBIG-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCCC[C@]12CCCOC2 ZINC001576155713 993194514 /nfs/dbraw/zinc/19/45/14/993194514.db2.gz BOVWXTWFTJUBIG-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC000378665152 993197736 /nfs/dbraw/zinc/19/77/36/993197736.db2.gz FPNRRQKTWLYURO-JHJVBQTASA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001576267578 993240442 /nfs/dbraw/zinc/24/04/42/993240442.db2.gz WYPUQDHSRUPYDN-CYDGBPFRSA-N 2 1 226.364 1.077 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000379581621 993256781 /nfs/dbraw/zinc/25/67/81/993256781.db2.gz KWURKAQCAJXSRR-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C[N@H+]1CC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC000379802511 993280309 /nfs/dbraw/zinc/28/03/09/993280309.db2.gz KUAKXKOXGLLNIE-LBPRGKRZSA-N 2 1 206.289 1.228 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[NH2+]C1 ZINC001576434349 993302763 /nfs/dbraw/zinc/30/27/63/993302763.db2.gz RYXLNDUBWRRPGK-GFCCVEGCSA-N 2 1 225.380 1.202 20 0 BDADMP CC1(C)[C@H]2[C@H](CCC[N@H+]2CCC2C[NH2+]C2)[C@@H]1O ZINC001576495635 993321745 /nfs/dbraw/zinc/32/17/45/993321745.db2.gz YMXJUWUFNLKITC-XQQFMLRXSA-N 2 1 238.375 1.077 20 0 BDADMP CC1(C)OC[C@H](C[NH2+][C@H](C[NH3+])C2CCCC2)O1 ZINC001576495277 993322283 /nfs/dbraw/zinc/32/22/83/993322283.db2.gz MWUZTAVJSKJDRR-NWDGAFQWSA-N 2 1 242.363 1.245 20 0 BDADMP CC1(C)OC[C@H](C[N@@H+]2CCCCC[C@H]([NH3+])C2)O1 ZINC001576494508 993322675 /nfs/dbraw/zinc/32/26/75/993322675.db2.gz BYHOLOOMFNLEFJ-RYUDHWBXSA-N 2 1 242.363 1.341 20 0 BDADMP CC1(C)OC[C@H](C[N@H+]2CCCCC[C@H]([NH3+])C2)O1 ZINC001576494508 993322680 /nfs/dbraw/zinc/32/26/80/993322680.db2.gz BYHOLOOMFNLEFJ-RYUDHWBXSA-N 2 1 242.363 1.341 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H](C[NH3+])C2)CCCCO1 ZINC001576503999 993323914 /nfs/dbraw/zinc/32/39/14/993323914.db2.gz ZYJIZVINHGJVNC-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@]1(C[NH2+]CCC2CCCCC2)C[NH2+]CCO1 ZINC001576525584 993330278 /nfs/dbraw/zinc/33/02/78/993330278.db2.gz GXRWZODLUZBMFL-CQSZACIVSA-N 2 1 240.391 1.925 20 0 BDADMP C[C@]1([NH2+]C[C@H]2CCC[NH2+]2)CCO[C@@H]1C1CC1 ZINC001576546055 993339932 /nfs/dbraw/zinc/33/99/32/993339932.db2.gz YMQJVYCZUJRNKQ-UPJWGTAASA-N 2 1 224.348 1.286 20 0 BDADMP C[C@]1(O)CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001576547740 993341381 /nfs/dbraw/zinc/34/13/81/993341381.db2.gz XMIWWLKDSBWEFP-XQQFMLRXSA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H](C[NH3+])C2CC2)CCO1 ZINC001576597629 993360569 /nfs/dbraw/zinc/36/05/69/993360569.db2.gz HEDYDAZMTRKWAK-FOGDFJRCSA-N 2 1 212.337 1.128 20 0 BDADMP C[C@@H]1C[C@H](CO)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576596864 993360638 /nfs/dbraw/zinc/36/06/38/993360638.db2.gz BEFKNWCDHXYQAJ-MROQNXINSA-N 2 1 226.364 1.064 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC001576622182 993373977 /nfs/dbraw/zinc/37/39/77/993373977.db2.gz AURDGLJZAUVHLZ-WISYIIOYSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)C2CC2)[C@@H]1C ZINC001576652535 993383792 /nfs/dbraw/zinc/38/37/92/993383792.db2.gz WZLVRSPBRRQKTR-FPQZTECRSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)C2CC2)[C@@H]1C ZINC001576652535 993383794 /nfs/dbraw/zinc/38/37/94/993383794.db2.gz WZLVRSPBRRQKTR-FPQZTECRSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC2(C)C)CS1 ZINC001576666292 993385778 /nfs/dbraw/zinc/38/57/78/993385778.db2.gz KSJOKPULFQYUNU-VWYCJHECSA-N 2 1 228.405 1.858 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC3(C2)OCCO3)C[NH2+]1 ZINC001576667926 993386670 /nfs/dbraw/zinc/38/66/70/993386670.db2.gz WOONGNWCFHOPCC-UTUOFQBUSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]CC1=NOCC1 ZINC001576690576 993396052 /nfs/dbraw/zinc/39/60/52/993396052.db2.gz KZGIUEBITUAXOG-CMPLNLGQSA-N 2 1 225.336 1.260 20 0 BDADMP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]CC1=NOCC1 ZINC001576690578 993396157 /nfs/dbraw/zinc/39/61/57/993396157.db2.gz KZGIUEBITUAXOG-JQWIXIFHSA-N 2 1 225.336 1.260 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H](C)[C@H]1O ZINC001576806545 993426228 /nfs/dbraw/zinc/42/62/28/993426228.db2.gz HROYJPSMUKFMEK-OBPIAQAESA-N 2 1 226.364 1.063 20 0 BDADMP C1[C@@H]2CCCC[C@@H]2C[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC000381910626 993431682 /nfs/dbraw/zinc/43/16/82/993431682.db2.gz ZSGQHCGQDSDDEH-XQQFMLRXSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001576854454 993436015 /nfs/dbraw/zinc/43/60/15/993436015.db2.gz MVZUKEXAFHFCGR-WHOHXGKFSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@](C)(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)OC ZINC001576949800 993465131 /nfs/dbraw/zinc/46/51/31/993465131.db2.gz QPUMIRZCUKQKHB-RKDXNWHRSA-N 2 1 242.285 1.671 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC001576959821 993467424 /nfs/dbraw/zinc/46/74/24/993467424.db2.gz ICZVCFXLNXUKLC-QCNOEVLYSA-N 2 1 214.353 1.124 20 0 BDADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)OC ZINC001576960943 993470338 /nfs/dbraw/zinc/47/03/38/993470338.db2.gz IUZQMTYZZHZTEW-AVGNSLFASA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@H](C)C[C@@H]([NH2+]C1CC(C[NH3+])C1)C(=O)OC ZINC001576985406 993482551 /nfs/dbraw/zinc/48/25/51/993482551.db2.gz VPHFFQZPUVKXIX-WNYYMSAVSA-N 2 1 242.363 1.291 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383781255 993516874 /nfs/dbraw/zinc/51/68/74/993516874.db2.gz PDPUEMSWQCLHCG-NEPJUHHUSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+]CC[NH2+]C2CC2)CCO1 ZINC001577240728 993557179 /nfs/dbraw/zinc/55/71/79/993557179.db2.gz LQGRXGWRSFKJRG-DGCLKSJQSA-N 2 1 226.364 1.533 20 0 BDADMP CCC[C@H](C)[C@@H](CO)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001577335784 993595888 /nfs/dbraw/zinc/59/58/88/993595888.db2.gz BQMPXZRKZOEZEC-QJPTWQEYSA-N 2 1 214.353 1.125 20 0 BDADMP CCC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC001577368961 993621512 /nfs/dbraw/zinc/62/15/12/993621512.db2.gz MQWXCMQWLALHES-AVGNSLFASA-N 2 1 226.364 1.351 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC001577368961 993621521 /nfs/dbraw/zinc/62/15/21/993621521.db2.gz MQWXCMQWLALHES-AVGNSLFASA-N 2 1 226.364 1.351 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001577403814 993643545 /nfs/dbraw/zinc/64/35/45/993643545.db2.gz JGFVIKUPYWAVSR-WOPDTQHZSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC001577403814 993643557 /nfs/dbraw/zinc/64/35/57/993643557.db2.gz JGFVIKUPYWAVSR-WOPDTQHZSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001577404314 993645299 /nfs/dbraw/zinc/64/52/99/993645299.db2.gz SKZIFWSSHRUYEB-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001577404314 993645302 /nfs/dbraw/zinc/64/53/02/993645302.db2.gz SKZIFWSSHRUYEB-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[N@@H+](CCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC001577454716 993669451 /nfs/dbraw/zinc/66/94/51/993669451.db2.gz LRLQOKUBXOBTTH-TXEJJXNPSA-N 2 1 214.353 1.208 20 0 BDADMP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001332334610 993674813 /nfs/dbraw/zinc/67/48/13/993674813.db2.gz NSVLULRNCGUCTH-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CC1)[C@@H]1COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001332334610 993674822 /nfs/dbraw/zinc/67/48/22/993674822.db2.gz NSVLULRNCGUCTH-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](CC)[NH2+]C ZINC001577510172 993677926 /nfs/dbraw/zinc/67/79/26/993677926.db2.gz DULJRNRMPFNWCF-NEPJUHHUSA-N 2 1 243.395 1.221 20 0 BDADMP OC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000386263236 993685316 /nfs/dbraw/zinc/68/53/16/993685316.db2.gz NDGZCRCAGYKQIP-QWHCGFSZSA-N 2 1 226.364 1.269 20 0 BDADMP CCCn1cc(C[NH2+]CCC[NH2+]C)c(C)n1 ZINC001577621975 993698258 /nfs/dbraw/zinc/69/82/58/993698258.db2.gz CBADJDNIOYIJTJ-UHFFFAOYSA-N 2 1 224.352 1.301 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccco2)C1 ZINC000389642736 993759181 /nfs/dbraw/zinc/75/91/81/993759181.db2.gz RGBPMVZWFGOYTQ-NSHDSACASA-N 2 1 208.305 1.840 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCSCC2)C1 ZINC000389752618 993763017 /nfs/dbraw/zinc/76/30/17/993763017.db2.gz ZKOPMGLBMGTVFG-NSHDSACASA-N 2 1 228.405 1.943 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC000700377872 993832280 /nfs/dbraw/zinc/83/22/80/993832280.db2.gz NADDIKBWKPIYQU-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)O[C@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC000701695917 993901131 /nfs/dbraw/zinc/90/11/31/993901131.db2.gz WXHPOKIKYBVHBB-NSHDSACASA-N 2 1 200.326 1.225 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000393211556 993915447 /nfs/dbraw/zinc/91/54/47/993915447.db2.gz MDSVEXCVNHBBFE-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)(C)[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000393980959 994025641 /nfs/dbraw/zinc/02/56/41/994025641.db2.gz SLLLKZDASVPSEH-ZDUSSCGKSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000724376631 994065865 /nfs/dbraw/zinc/06/58/65/994065865.db2.gz SIJRCKWWYQRYOQ-USZNOCQGSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000724376631 994065870 /nfs/dbraw/zinc/06/58/70/994065870.db2.gz SIJRCKWWYQRYOQ-USZNOCQGSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H](O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC001307609226 995415898 /nfs/dbraw/zinc/41/58/98/995415898.db2.gz MRFFDGKJKIDSMV-RYUDHWBXSA-N 2 1 226.364 1.316 20 0 BDADMP CCC(CC)(CCO)[NH2+]CCn1cc[nH+]c1C ZINC000338376425 168320714 /nfs/dbraw/zinc/32/07/14/168320714.db2.gz LJVBNBXOUJFYIE-UHFFFAOYSA-N 2 1 239.363 1.722 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1C ZINC000086010232 136211883 /nfs/dbraw/zinc/21/18/83/136211883.db2.gz XWSBOEJYIXKJMF-TXEJJXNPSA-N 2 1 210.365 1.964 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000257936209 349497493 /nfs/dbraw/zinc/49/74/93/349497493.db2.gz HOQFISCEPWQIDC-IUCAKERBSA-N 2 1 224.308 1.035 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)n(C)n1 ZINC000336647885 178022185 /nfs/dbraw/zinc/02/21/85/178022185.db2.gz CHBKCUSSIRYZKT-SNVBAGLBSA-N 2 1 224.352 1.016 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2(C)CCC2)CCO1 ZINC000380099811 398185925 /nfs/dbraw/zinc/18/59/25/398185925.db2.gz PICHFMBUQJIORU-GHMZBOCLSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2(C)CCC2)CCO1 ZINC000380099811 398185930 /nfs/dbraw/zinc/18/59/30/398185930.db2.gz PICHFMBUQJIORU-GHMZBOCLSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2(C)CCC2)CCO1 ZINC000380099825 398185939 /nfs/dbraw/zinc/18/59/39/398185939.db2.gz PICHFMBUQJIORU-WDEREUQCSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2(C)CCC2)CCO1 ZINC000380099825 398185941 /nfs/dbraw/zinc/18/59/41/398185941.db2.gz PICHFMBUQJIORU-WDEREUQCSA-N 2 1 212.337 1.225 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342083901 398187905 /nfs/dbraw/zinc/18/79/05/398187905.db2.gz LCIKNKAGNJSAML-AEGPPILISA-N 2 1 245.370 1.828 20 0 BDADMP CN(c1cc[nH+]cc1Cl)[C@H]1CC[NH2+]C1 ZINC000086839898 398192283 /nfs/dbraw/zinc/19/22/83/398192283.db2.gz WHBUFQZCTFIFQO-QMMMGPOBSA-N 2 1 211.696 1.533 20 0 BDADMP Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(C)[nH+]1 ZINC000301458692 178117236 /nfs/dbraw/zinc/11/72/36/178117236.db2.gz NKVHJFLRZCFRDM-CYBMUJFWSA-N 2 1 244.342 1.544 20 0 BDADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430920060 192027541 /nfs/dbraw/zinc/02/75/41/192027541.db2.gz NJGRDNBBAZIJNZ-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)no1 ZINC000069724282 398213771 /nfs/dbraw/zinc/21/37/71/398213771.db2.gz KGPLDUATYWZWTP-LLVKDONJSA-N 2 1 223.320 1.544 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000649411954 398214041 /nfs/dbraw/zinc/21/40/41/398214041.db2.gz ZHKZZDVXLDMDQI-RYUDHWBXSA-N 3 1 234.347 1.199 20 0 BDADMP c1c[nH]c([C@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)n1 ZINC000649411954 398214046 /nfs/dbraw/zinc/21/40/46/398214046.db2.gz ZHKZZDVXLDMDQI-RYUDHWBXSA-N 3 1 234.347 1.199 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069720654 398214060 /nfs/dbraw/zinc/21/40/60/398214060.db2.gz IPWLRGWHFNBUEC-LLVKDONJSA-N 2 1 222.336 1.123 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069720654 398214067 /nfs/dbraw/zinc/21/40/67/398214067.db2.gz IPWLRGWHFNBUEC-LLVKDONJSA-N 2 1 222.336 1.123 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000386777391 398219783 /nfs/dbraw/zinc/21/97/83/398219783.db2.gz LMUGTOIPWIKYSH-AWEZNQCLSA-N 2 1 248.374 1.185 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000649411953 398214332 /nfs/dbraw/zinc/21/43/32/398214332.db2.gz ZHKZZDVXLDMDQI-NWDGAFQWSA-N 3 1 234.347 1.199 20 0 BDADMP c1c[nH]c([C@@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)n1 ZINC000649411953 398214334 /nfs/dbraw/zinc/21/43/34/398214334.db2.gz ZHKZZDVXLDMDQI-NWDGAFQWSA-N 3 1 234.347 1.199 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C ZINC000380980438 398216360 /nfs/dbraw/zinc/21/63/60/398216360.db2.gz CHGXLPNFZFJTGS-QWHCGFSZSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000380980438 398216364 /nfs/dbraw/zinc/21/63/64/398216364.db2.gz CHGXLPNFZFJTGS-QWHCGFSZSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000380980438 398216366 /nfs/dbraw/zinc/21/63/66/398216366.db2.gz CHGXLPNFZFJTGS-QWHCGFSZSA-N 2 1 228.380 1.562 20 0 BDADMP Cc1cc(NCC[N@@H+](C)C2CC2)nc(C)[nH+]1 ZINC000062010329 178159927 /nfs/dbraw/zinc/15/99/27/178159927.db2.gz VZXIPKLBWUELOM-UHFFFAOYSA-N 2 1 220.320 1.600 20 0 BDADMP Cc1cc(NCC[N@H+](C)C2CC2)nc(C)[nH+]1 ZINC000062010329 178159929 /nfs/dbraw/zinc/15/99/29/178159929.db2.gz VZXIPKLBWUELOM-UHFFFAOYSA-N 2 1 220.320 1.600 20 0 BDADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000649414341 398213049 /nfs/dbraw/zinc/21/30/49/398213049.db2.gz UIUCTOAAUVBHHG-GXTWGEPZSA-N 2 1 248.374 1.475 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCn2ccnc2)CCN1C ZINC000162017246 349524183 /nfs/dbraw/zinc/52/41/83/349524183.db2.gz BHRVHZHDOJOYKJ-CHWSQXEVSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCn2ccnc2)CC[N@@H+]1C ZINC000162017246 349524188 /nfs/dbraw/zinc/52/41/88/349524188.db2.gz BHRVHZHDOJOYKJ-CHWSQXEVSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCn2ccnc2)CC[N@H+]1C ZINC000162017246 349524194 /nfs/dbraw/zinc/52/41/94/349524194.db2.gz BHRVHZHDOJOYKJ-CHWSQXEVSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCn2ccnc2)CC[NH+]1C ZINC000162017246 349524197 /nfs/dbraw/zinc/52/41/97/349524197.db2.gz BHRVHZHDOJOYKJ-CHWSQXEVSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCn2ccnc2)CC[NH+]1C ZINC000162017246 349524200 /nfs/dbraw/zinc/52/42/00/349524200.db2.gz BHRVHZHDOJOYKJ-CHWSQXEVSA-N 3 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000229539070 538939791 /nfs/dbraw/zinc/93/97/91/538939791.db2.gz KBXISIOZTSHBLY-YPMHNXCESA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000229539070 538939793 /nfs/dbraw/zinc/93/97/93/538939793.db2.gz KBXISIOZTSHBLY-YPMHNXCESA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000390756816 398247377 /nfs/dbraw/zinc/24/73/77/398247377.db2.gz IIYBACMEANFYOM-RYUDHWBXSA-N 2 1 228.405 1.669 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576703094 365662932 /nfs/dbraw/zinc/66/29/32/365662932.db2.gz AMWOUYPHNRKBAS-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000036300546 398260816 /nfs/dbraw/zinc/26/08/16/398260816.db2.gz HPCPRDNRFWPCFQ-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162139416 349574139 /nfs/dbraw/zinc/57/41/39/349574139.db2.gz IHPXWKKVGKMWRH-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162139416 349574143 /nfs/dbraw/zinc/57/41/43/349574143.db2.gz IHPXWKKVGKMWRH-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162139416 349574146 /nfs/dbraw/zinc/57/41/46/349574146.db2.gz IHPXWKKVGKMWRH-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC1([NH3+])CC[NH+](CCOCC(F)F)CC1 ZINC000381777954 398271143 /nfs/dbraw/zinc/27/11/43/398271143.db2.gz XIDVBAIUZNRWCL-UHFFFAOYSA-N 2 1 222.279 1.081 20 0 BDADMP COC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166569557 361853202 /nfs/dbraw/zinc/85/32/02/361853202.db2.gz AAPKPKCEPJIIRX-LLVKDONJSA-N 2 1 202.342 1.341 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631838659 398285142 /nfs/dbraw/zinc/28/51/42/398285142.db2.gz SKNUIMHOZGJYME-WCQYABFASA-N 2 1 234.343 1.722 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN1CC(CC)(CC)C1 ZINC000309710175 342794422 /nfs/dbraw/zinc/79/44/22/342794422.db2.gz JQDWFAFZDZOKIL-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678045194 488180945 /nfs/dbraw/zinc/18/09/45/488180945.db2.gz YPUQHCICHQSSRA-QWHCGFSZSA-N 2 1 228.380 1.279 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CSC2)CCCO1 ZINC000390510312 539022661 /nfs/dbraw/zinc/02/26/61/539022661.db2.gz ZGJSDVJDXIYARW-LLVKDONJSA-N 2 1 244.404 1.192 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000335634103 136241695 /nfs/dbraw/zinc/24/16/95/136241695.db2.gz MFWBZADRNJSCRE-GJZGRUSLSA-N 2 1 245.370 1.903 20 0 BDADMP CCC[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)OC ZINC000392292267 398317981 /nfs/dbraw/zinc/31/79/81/398317981.db2.gz MURSIYPYJNOBIG-ZDUSSCGKSA-N 2 1 226.364 1.653 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000035151308 342884324 /nfs/dbraw/zinc/88/43/24/342884324.db2.gz ANMMHNXUTBGNLP-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP CCC(CC)[N@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000584002237 342899583 /nfs/dbraw/zinc/89/95/83/342899583.db2.gz QLLHXJFMJBWTLV-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[N@@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000584002237 342899584 /nfs/dbraw/zinc/89/95/84/342899584.db2.gz QLLHXJFMJBWTLV-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[NH+](C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000584002237 342899585 /nfs/dbraw/zinc/89/95/85/342899585.db2.gz QLLHXJFMJBWTLV-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[NH+](C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000584002237 342899586 /nfs/dbraw/zinc/89/95/86/342899586.db2.gz QLLHXJFMJBWTLV-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351482151 136246294 /nfs/dbraw/zinc/24/62/94/136246294.db2.gz ZEYLLXFXAUNSGR-YUTCNCBUSA-N 2 1 231.343 1.438 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000560944281 398337591 /nfs/dbraw/zinc/33/75/91/398337591.db2.gz DMFNJUBIYLOOML-UHFFFAOYSA-N 2 1 225.361 1.720 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccco1 ZINC000401743407 342937123 /nfs/dbraw/zinc/93/71/23/342937123.db2.gz STQLWGMKHXJDAL-UHFFFAOYSA-N 2 1 205.261 1.345 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000358146545 398339251 /nfs/dbraw/zinc/33/92/51/398339251.db2.gz DGEAGZFKWBANNC-YIYPIFLZSA-N 2 1 242.407 1.856 20 0 BDADMP CCOCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157352886 398340244 /nfs/dbraw/zinc/34/02/44/398340244.db2.gz WWWSQUIPPDIOIB-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228074911 398340939 /nfs/dbraw/zinc/34/09/39/398340939.db2.gz WWQCWEMEGJKIDX-LDYMZIIASA-N 2 1 223.320 1.461 20 0 BDADMP CC(C)C[C@H](C)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313354100 259333728 /nfs/dbraw/zinc/33/37/28/259333728.db2.gz QARRZMCEJUKDFR-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@@H](C)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313347214 259333864 /nfs/dbraw/zinc/33/38/64/259333864.db2.gz KBKBQKPNLVPRLT-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313347214 259333866 /nfs/dbraw/zinc/33/38/66/259333866.db2.gz KBKBQKPNLVPRLT-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351816789 136255297 /nfs/dbraw/zinc/25/52/97/136255297.db2.gz SNTGQPADZXJHCM-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351816789 136255298 /nfs/dbraw/zinc/25/52/98/136255298.db2.gz SNTGQPADZXJHCM-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP CCc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000307774995 529556471 /nfs/dbraw/zinc/55/64/71/529556471.db2.gz RWLNMRDHFGAHJL-CQSZACIVSA-N 2 1 248.374 1.302 20 0 BDADMP CCc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)cc[nH+]1 ZINC000307774995 529556476 /nfs/dbraw/zinc/55/64/76/529556476.db2.gz RWLNMRDHFGAHJL-CQSZACIVSA-N 2 1 248.374 1.302 20 0 BDADMP CCc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)cc[nH+]1 ZINC000307774995 529556480 /nfs/dbraw/zinc/55/64/80/529556480.db2.gz RWLNMRDHFGAHJL-CQSZACIVSA-N 2 1 248.374 1.302 20 0 BDADMP FC(F)(F)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000083119681 342966620 /nfs/dbraw/zinc/96/66/20/342966620.db2.gz VHPDMCLOUWEYKA-HTQZYQBOSA-N 2 1 208.227 1.090 20 0 BDADMP CC[C@@]1(O)CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000495260836 529574239 /nfs/dbraw/zinc/57/42/39/529574239.db2.gz HZFZFUUGRZVZRN-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@@]1(O)CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000495260836 529574242 /nfs/dbraw/zinc/57/42/42/529574242.db2.gz HZFZFUUGRZVZRN-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@@]1(O)CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000495260836 529574247 /nfs/dbraw/zinc/57/42/47/529574247.db2.gz HZFZFUUGRZVZRN-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000308853881 259340090 /nfs/dbraw/zinc/34/00/90/259340090.db2.gz NOEDKIAXBLROIR-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000308853881 259340092 /nfs/dbraw/zinc/34/00/92/259340092.db2.gz NOEDKIAXBLROIR-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000308853881 259340094 /nfs/dbraw/zinc/34/00/94/259340094.db2.gz NOEDKIAXBLROIR-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000308853881 259340096 /nfs/dbraw/zinc/34/00/96/259340096.db2.gz NOEDKIAXBLROIR-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000235461663 259343921 /nfs/dbraw/zinc/34/39/21/259343921.db2.gz WDFMOIFNYMDSMO-NXEZZACHSA-N 2 1 210.296 1.694 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000223212348 187228574 /nfs/dbraw/zinc/22/85/74/187228574.db2.gz FYNNBBDYPQHRAH-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000235926718 343067465 /nfs/dbraw/zinc/06/74/65/343067465.db2.gz UOLZSMPEPQFEIQ-NXEZZACHSA-N 2 1 225.361 1.811 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000575564121 343079732 /nfs/dbraw/zinc/07/97/32/343079732.db2.gz AESYNSJGQAAOOB-UONOGXRCSA-N 2 1 216.328 1.728 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000336661620 187231099 /nfs/dbraw/zinc/23/10/99/187231099.db2.gz KCLCRAHUDNXKQB-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000336661620 187231101 /nfs/dbraw/zinc/23/11/01/187231101.db2.gz KCLCRAHUDNXKQB-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336661620 187231102 /nfs/dbraw/zinc/23/11/02/187231102.db2.gz KCLCRAHUDNXKQB-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336661620 187231104 /nfs/dbraw/zinc/23/11/04/187231104.db2.gz KCLCRAHUDNXKQB-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336661620 187231106 /nfs/dbraw/zinc/23/11/06/187231106.db2.gz KCLCRAHUDNXKQB-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400337854 529689862 /nfs/dbraw/zinc/68/98/62/529689862.db2.gz GNCBGPRXOGLXKM-RWMBFGLXSA-N 2 1 227.396 1.447 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000124709782 343163972 /nfs/dbraw/zinc/16/39/72/343163972.db2.gz OVLMGPJUPWOGPH-LBPRGKRZSA-N 2 1 224.348 1.265 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000308885364 346929823 /nfs/dbraw/zinc/92/98/23/346929823.db2.gz WSCFQUHJSCVBQQ-JQWIXIFHSA-N 2 1 228.405 1.812 20 0 BDADMP CCSCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000158732482 343201622 /nfs/dbraw/zinc/20/16/22/343201622.db2.gz NOXGUHBDLRKRQG-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)COC)C1 ZINC000163535810 343206833 /nfs/dbraw/zinc/20/68/33/343206833.db2.gz VSUAQYXDVSQKOS-VXGBXAGGSA-N 2 1 214.353 1.200 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(CC(C)(C)[NH3+])CC[C@H]21 ZINC000088091264 136284317 /nfs/dbraw/zinc/28/43/17/136284317.db2.gz QANFDHHARPRJOT-VXGBXAGGSA-N 2 1 225.380 1.140 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCO)CC[C@@H]21 ZINC000088091300 136284440 /nfs/dbraw/zinc/28/44/40/136284440.db2.gz YEAFRILIHGCUDH-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCO)CC[C@@H]21 ZINC000088091300 136284441 /nfs/dbraw/zinc/28/44/41/136284441.db2.gz YEAFRILIHGCUDH-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCO)CC[C@@H]21 ZINC000088091300 136284442 /nfs/dbraw/zinc/28/44/42/136284442.db2.gz YEAFRILIHGCUDH-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000634687389 343239869 /nfs/dbraw/zinc/23/98/69/343239869.db2.gz JKVBWSKMDPIKEP-RISCZKNCSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1CC[C@@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000634687821 343244908 /nfs/dbraw/zinc/24/49/08/343244908.db2.gz AKEORSITJWIDFK-RNJOBUHISA-N 2 1 224.348 1.286 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000069626880 343286704 /nfs/dbraw/zinc/28/67/04/343286704.db2.gz WXMGAQFTROTTRJ-UWVGGRQHSA-N 2 1 209.293 1.234 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000069626880 343286706 /nfs/dbraw/zinc/28/67/06/343286706.db2.gz WXMGAQFTROTTRJ-UWVGGRQHSA-N 2 1 209.293 1.234 20 0 BDADMP Fc1cccc(CCC[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000348757788 136297953 /nfs/dbraw/zinc/29/79/53/136297953.db2.gz XWANRCPANHHPDF-ZDUSSCGKSA-N 2 1 222.307 1.710 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335634672 136300515 /nfs/dbraw/zinc/30/05/15/136300515.db2.gz GWMXJXYFZKIIQG-NHYWBVRUSA-N 2 1 230.355 1.741 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635195 136300780 /nfs/dbraw/zinc/30/07/80/136300780.db2.gz QXEHSDVTOTWGAU-OLZOCXBDSA-N 2 1 248.374 1.540 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635195 136300782 /nfs/dbraw/zinc/30/07/82/136300782.db2.gz QXEHSDVTOTWGAU-OLZOCXBDSA-N 2 1 248.374 1.540 20 0 BDADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCCOCC1)C2 ZINC000335673748 136317355 /nfs/dbraw/zinc/31/73/55/136317355.db2.gz GYXXDIOMCSNIJD-QWRGUYRKSA-N 2 1 235.331 1.426 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000166221415 136310447 /nfs/dbraw/zinc/31/04/47/136310447.db2.gz NCHNAJDICIPVKV-KCJUWKMLSA-N 2 1 239.388 1.929 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239973 343399068 /nfs/dbraw/zinc/39/90/68/343399068.db2.gz ILDYMNICSUJSCU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239973 343399069 /nfs/dbraw/zinc/39/90/69/343399069.db2.gz ILDYMNICSUJSCU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239973 343399071 /nfs/dbraw/zinc/39/90/71/343399071.db2.gz ILDYMNICSUJSCU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239973 343399072 /nfs/dbraw/zinc/39/90/72/343399072.db2.gz ILDYMNICSUJSCU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239973 343399074 /nfs/dbraw/zinc/39/90/74/343399074.db2.gz ILDYMNICSUJSCU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000349153446 136327096 /nfs/dbraw/zinc/32/70/96/136327096.db2.gz SGRKJOWXVSUKMH-OLZOCXBDSA-N 2 1 249.358 1.636 20 0 BDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)CC1 ZINC000335724489 136346780 /nfs/dbraw/zinc/34/67/80/136346780.db2.gz YTNDTZUEBFLCDA-CYBMUJFWSA-N 2 1 248.374 1.573 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](O)CC1 ZINC000335888800 136358477 /nfs/dbraw/zinc/35/84/77/136358477.db2.gz XVRYKUDFYAFNHO-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](O)CC1 ZINC000335888800 136358478 /nfs/dbraw/zinc/35/84/78/136358478.db2.gz XVRYKUDFYAFNHO-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](O)CC1 ZINC000335888800 136358479 /nfs/dbraw/zinc/35/84/79/136358479.db2.gz XVRYKUDFYAFNHO-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247982692 136373302 /nfs/dbraw/zinc/37/33/02/136373302.db2.gz NETAXUXTSYKSQU-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247983239 136373611 /nfs/dbraw/zinc/37/36/11/136373611.db2.gz IPELLCJSXGBUQM-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP CCc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000258966431 136374343 /nfs/dbraw/zinc/37/43/43/136374343.db2.gz LFNZBASRAAHTHW-ZDUSSCGKSA-N 2 1 222.332 1.000 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000230674155 343490298 /nfs/dbraw/zinc/49/02/98/343490298.db2.gz VRKSCPQFPRWGPP-JYBOHDQNSA-N 2 1 212.337 1.236 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000230674155 343490301 /nfs/dbraw/zinc/49/03/01/343490301.db2.gz VRKSCPQFPRWGPP-JYBOHDQNSA-N 2 1 212.337 1.236 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]CC[NH3+])C12CCCC2 ZINC000082945695 343472714 /nfs/dbraw/zinc/47/27/14/343472714.db2.gz QKUBZEFABWBVEL-QWRGUYRKSA-N 2 1 212.337 1.273 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000398746081 488223693 /nfs/dbraw/zinc/22/36/93/488223693.db2.gz YSLQEQQKIVJKRA-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)OC)CC1 ZINC000602967060 349827880 /nfs/dbraw/zinc/82/78/80/349827880.db2.gz BBMOZCIQUBGTKN-UHFFFAOYSA-N 2 1 242.363 1.356 20 0 BDADMP Cc1nc(CC[N@H+]2CCc3nc[nH]c3C2)cs1 ZINC000625436921 343734522 /nfs/dbraw/zinc/73/45/22/343734522.db2.gz NNWCACHOTUOCNC-UHFFFAOYSA-N 2 1 248.355 1.775 20 0 BDADMP CN1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000054243464 187272183 /nfs/dbraw/zinc/27/21/83/187272183.db2.gz PEZXABHZEQGMEF-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+]1CCC[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000054243464 187272185 /nfs/dbraw/zinc/27/21/85/187272185.db2.gz PEZXABHZEQGMEF-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+]1CCC[C@@H](NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000054243464 187272186 /nfs/dbraw/zinc/27/21/86/187272186.db2.gz PEZXABHZEQGMEF-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+]1CCC[C@@H](CN[C@@H]2CCC[N@H+](C)C2)C1 ZINC000054243464 187272188 /nfs/dbraw/zinc/27/21/88/187272188.db2.gz PEZXABHZEQGMEF-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+]1CCC[C@@H](CN[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000054243464 187272190 /nfs/dbraw/zinc/27/21/90/187272190.db2.gz PEZXABHZEQGMEF-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C(C1CC[NH2+]CC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062940915 187273677 /nfs/dbraw/zinc/27/36/77/187273677.db2.gz LDHWXALBGGOKGA-AWEZNQCLSA-N 2 1 237.391 1.156 20 0 BDADMP C[N@@H+](CCCn1ccnc1)Cc1cnc[nH]1 ZINC000189588243 346981505 /nfs/dbraw/zinc/98/15/05/346981505.db2.gz NNVGRTXYMSVRDI-UHFFFAOYSA-N 2 1 219.292 1.128 20 0 BDADMP C[N@H+](CCCn1ccnc1)Cc1c[nH]cn1 ZINC000189588243 346981508 /nfs/dbraw/zinc/98/15/08/346981508.db2.gz NNVGRTXYMSVRDI-UHFFFAOYSA-N 2 1 219.292 1.128 20 0 BDADMP C[N@@H+](CCCn1ccnc1)Cc1c[nH]cn1 ZINC000189588243 346981511 /nfs/dbraw/zinc/98/15/11/346981511.db2.gz NNVGRTXYMSVRDI-UHFFFAOYSA-N 2 1 219.292 1.128 20 0 BDADMP CC(C)(C[NH3+])C[N@@H+]1CCOC(C)(C)C1 ZINC000051218356 346989956 /nfs/dbraw/zinc/98/99/56/346989956.db2.gz QVQYUMQFJQJMNX-UHFFFAOYSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)(C[NH3+])C[N@H+]1CCOC(C)(C)C1 ZINC000051218356 346989960 /nfs/dbraw/zinc/98/99/60/346989960.db2.gz QVQYUMQFJQJMNX-UHFFFAOYSA-N 2 1 200.326 1.082 20 0 BDADMP C(C1CC1)[NH+]1CCN(CC2CC[NH2+]CC2)CC1 ZINC000042491257 187354962 /nfs/dbraw/zinc/35/49/62/187354962.db2.gz NCSYOAXTKPDZFR-UHFFFAOYSA-N 2 1 237.391 1.014 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000621775787 343899975 /nfs/dbraw/zinc/89/99/75/343899975.db2.gz YSGRZKVTHYDAPF-ZDUSSCGKSA-N 2 1 236.363 1.116 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCC12CC2)C1CC1 ZINC000634723998 343922226 /nfs/dbraw/zinc/92/22/26/343922226.db2.gz HOACXQJODSMPOV-CHWSQXEVSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCC12CC2)C1CC1 ZINC000634723998 343922228 /nfs/dbraw/zinc/92/22/28/343922228.db2.gz HOACXQJODSMPOV-CHWSQXEVSA-N 2 1 238.375 1.364 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1cccs1 ZINC000393791307 343928734 /nfs/dbraw/zinc/92/87/34/343928734.db2.gz MEIILDNCHAOKKK-LLVKDONJSA-N 2 1 242.388 1.493 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000049707579 187357156 /nfs/dbraw/zinc/35/71/56/187357156.db2.gz GWVWTAYJWVNJNN-WFASDCNBSA-N 2 1 248.370 1.907 20 0 BDADMP C[C@@H]1C[C@H](CN[C@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000634733434 344113274 /nfs/dbraw/zinc/11/32/74/344113274.db2.gz FRKNAIIMWKJQFY-SYQHCUMBSA-N 2 1 237.391 1.106 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000086403517 344217026 /nfs/dbraw/zinc/21/70/26/344217026.db2.gz POJINFDUBJXEJX-DTWKUNHWSA-N 2 1 211.334 1.503 20 0 BDADMP Cn1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043276 344288286 /nfs/dbraw/zinc/28/82/86/344288286.db2.gz XQOYRVLFHRWRTC-HUUCEWRRSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043276 344288289 /nfs/dbraw/zinc/28/82/89/344288289.db2.gz XQOYRVLFHRWRTC-HUUCEWRRSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043276 344288292 /nfs/dbraw/zinc/28/82/92/344288292.db2.gz XQOYRVLFHRWRTC-HUUCEWRRSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043276 344288295 /nfs/dbraw/zinc/28/82/95/344288295.db2.gz XQOYRVLFHRWRTC-HUUCEWRRSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043276 344288297 /nfs/dbraw/zinc/28/82/97/344288297.db2.gz XQOYRVLFHRWRTC-HUUCEWRRSA-N 2 1 247.386 1.941 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000093214504 344312606 /nfs/dbraw/zinc/31/26/06/344312606.db2.gz GKOMTNLHHXOVDM-XQQFMLRXSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000093214504 344312610 /nfs/dbraw/zinc/31/26/10/344312610.db2.gz GKOMTNLHHXOVDM-XQQFMLRXSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000093214504 344312611 /nfs/dbraw/zinc/31/26/11/344312611.db2.gz GKOMTNLHHXOVDM-XQQFMLRXSA-N 3 1 237.391 1.330 20 0 BDADMP CN(CCC[NH3+])CC[C@H]1CCCC[N@H+]1C ZINC000133203780 344314803 /nfs/dbraw/zinc/31/48/03/344314803.db2.gz RLIPGTAKBATFJH-GFCCVEGCSA-N 2 1 213.369 1.141 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634782640 344325593 /nfs/dbraw/zinc/32/55/93/344325593.db2.gz VLDKNVAYTMBMRQ-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP COC(=O)[C@@H]1C[N@H+](CCC[NH3+])Cc2ccccc21 ZINC000600776056 344370837 /nfs/dbraw/zinc/37/08/37/344370837.db2.gz VYDKGYQGMMOXKP-CYBMUJFWSA-N 2 1 248.326 1.108 20 0 BDADMP COC(=O)[C@@H]1C[N@@H+](CCC[NH3+])Cc2ccccc21 ZINC000600776056 344370839 /nfs/dbraw/zinc/37/08/39/344370839.db2.gz VYDKGYQGMMOXKP-CYBMUJFWSA-N 2 1 248.326 1.108 20 0 BDADMP Cc1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)nc(C)[nH+]1 ZINC000634813067 344397446 /nfs/dbraw/zinc/39/74/46/344397446.db2.gz YJGQXJDGQXQPQZ-CHWSQXEVSA-N 2 1 246.358 1.672 20 0 BDADMP C[N@@H+](C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000042466481 344456154 /nfs/dbraw/zinc/45/61/54/344456154.db2.gz VKJXJUPPCHARFR-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000381261225 344490678 /nfs/dbraw/zinc/49/06/78/344490678.db2.gz RWQZBJKRNISTHR-GXFFZTMASA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000381261225 344490680 /nfs/dbraw/zinc/49/06/80/344490680.db2.gz RWQZBJKRNISTHR-GXFFZTMASA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H](C1CC1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381261225 344490682 /nfs/dbraw/zinc/49/06/82/344490682.db2.gz RWQZBJKRNISTHR-GXFFZTMASA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H](C1CC1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381261225 344490683 /nfs/dbraw/zinc/49/06/83/344490683.db2.gz RWQZBJKRNISTHR-GXFFZTMASA-N 2 1 226.364 1.172 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000158338198 344603827 /nfs/dbraw/zinc/60/38/27/344603827.db2.gz QMCDIIZDEUICAB-JQWIXIFHSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000158338198 344603829 /nfs/dbraw/zinc/60/38/29/344603829.db2.gz QMCDIIZDEUICAB-JQWIXIFHSA-N 2 1 235.331 1.259 20 0 BDADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)no1 ZINC000158664418 344712723 /nfs/dbraw/zinc/71/27/23/344712723.db2.gz MARDXCAHCNTGLO-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000382030633 347072637 /nfs/dbraw/zinc/07/26/37/347072637.db2.gz DGEJQYLXLBRLEN-FRRDWIJNSA-N 2 1 226.364 1.208 20 0 BDADMP Cc1c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cnn1C ZINC000227566327 187297137 /nfs/dbraw/zinc/29/71/37/187297137.db2.gz CIZQNIOTOKCUPD-JQWIXIFHSA-N 2 1 236.363 1.288 20 0 BDADMP CC(C)COCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226468280 187297306 /nfs/dbraw/zinc/29/73/06/187297306.db2.gz QLQQNTHCTRWGKR-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1nn(C)cc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227852399 187297923 /nfs/dbraw/zinc/29/79/23/187297923.db2.gz UWQPLXPDAOHJKG-GXFFZTMASA-N 2 1 236.363 1.301 20 0 BDADMP C(C[NH+]1CCN(CC2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000089749253 345108922 /nfs/dbraw/zinc/10/89/22/345108922.db2.gz PIFUWZCQMFZCKO-CYBMUJFWSA-N 2 1 237.391 1.014 20 0 BDADMP C[C@H]1C[C@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000634993557 345190598 /nfs/dbraw/zinc/19/05/98/345190598.db2.gz XZWFECVFEIZUIR-RJZJGCCBSA-N 2 1 237.391 1.153 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC000634995910 345185986 /nfs/dbraw/zinc/18/59/86/345185986.db2.gz SMXHQABHEQIPQC-MOKVOYLWSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](CNCc2ccon2)C1 ZINC000634959750 345132857 /nfs/dbraw/zinc/13/28/57/345132857.db2.gz AJHNOYQABAXDCG-GFCCVEGCSA-N 2 1 237.347 1.885 20 0 BDADMP C[C@@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1ccccn1 ZINC000634996388 345187403 /nfs/dbraw/zinc/18/74/03/345187403.db2.gz IMERPDLPJZCKBR-DCBWTQNWSA-N 2 1 231.343 1.527 20 0 BDADMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccon1 ZINC000634967668 345142875 /nfs/dbraw/zinc/14/28/75/345142875.db2.gz UVBOXVONZYQODU-GFCCVEGCSA-N 2 1 241.335 1.121 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634993062 345188559 /nfs/dbraw/zinc/18/85/59/345188559.db2.gz KKWNVYIQPDYWNS-HSBZDZAISA-N 2 1 237.391 1.012 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000156402030 345156177 /nfs/dbraw/zinc/15/61/77/345156177.db2.gz RWGIJINRHXGBFQ-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000128286135 345228881 /nfs/dbraw/zinc/22/88/81/345228881.db2.gz JEJKDUKKJBNMBE-JOYOIKCWSA-N 2 1 222.336 1.040 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000128286135 345228885 /nfs/dbraw/zinc/22/88/85/345228885.db2.gz JEJKDUKKJBNMBE-JOYOIKCWSA-N 2 1 222.336 1.040 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000235438910 537891668 /nfs/dbraw/zinc/89/16/68/537891668.db2.gz DIROSGDUAWTKKK-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999029 345199047 /nfs/dbraw/zinc/19/90/47/345199047.db2.gz PAVGVVYSIXBKHN-VXGBXAGGSA-N 2 1 236.363 1.491 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999029 345199049 /nfs/dbraw/zinc/19/90/49/345199049.db2.gz PAVGVVYSIXBKHN-VXGBXAGGSA-N 2 1 236.363 1.491 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000634999596 345199894 /nfs/dbraw/zinc/19/98/94/345199894.db2.gz WUOATAXGOYUMJZ-MWLCHTKSSA-N 2 1 235.331 1.122 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005132 345209281 /nfs/dbraw/zinc/20/92/81/345209281.db2.gz MQFXEZDLUYYVIN-XUXIUFHCSA-N 2 1 239.407 1.754 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635008114 345215672 /nfs/dbraw/zinc/21/56/72/345215672.db2.gz ZNJZNKMHKXELRK-NAWOPXAZSA-N 2 1 226.364 1.673 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000228451267 345341730 /nfs/dbraw/zinc/34/17/30/345341730.db2.gz ZGAXGIOKAZGFNJ-NWDGAFQWSA-N 2 1 243.395 1.350 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158966457 345392922 /nfs/dbraw/zinc/39/29/22/345392922.db2.gz HZDYTZCEUBXQIZ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158966457 345392925 /nfs/dbraw/zinc/39/29/25/345392925.db2.gz HZDYTZCEUBXQIZ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158966457 345392927 /nfs/dbraw/zinc/39/29/27/345392927.db2.gz HZDYTZCEUBXQIZ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[C@H](C)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000051297826 345398910 /nfs/dbraw/zinc/39/89/10/345398910.db2.gz KHSBVDWQEVYCGD-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000051297826 345398915 /nfs/dbraw/zinc/39/89/15/345398915.db2.gz KHSBVDWQEVYCGD-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308895349 187306819 /nfs/dbraw/zinc/30/68/19/187306819.db2.gz ZDVMPJJSKLUHLC-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308895349 187306821 /nfs/dbraw/zinc/30/68/21/187306821.db2.gz ZDVMPJJSKLUHLC-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000221676216 323090992 /nfs/dbraw/zinc/09/09/92/323090992.db2.gz FUCIQGHWWGRXRT-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000309188851 187308186 /nfs/dbraw/zinc/30/81/86/187308186.db2.gz BWKURIZWCQXTPH-QWHCGFSZSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000309188851 187308187 /nfs/dbraw/zinc/30/81/87/187308187.db2.gz BWKURIZWCQXTPH-QWHCGFSZSA-N 2 1 228.380 1.874 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CC1(C)CCC1 ZINC000235790255 537903803 /nfs/dbraw/zinc/90/38/03/537903803.db2.gz RQONGEZQYOWFON-UHFFFAOYSA-N 2 1 207.321 1.971 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCOCC1 ZINC000221038009 535003205 /nfs/dbraw/zinc/00/32/05/535003205.db2.gz WWVGIGXMUGCIPW-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP Cc1cc(N2CCC[C@@H]2C[NH+](C)C)nc(C)[nH+]1 ZINC000436451576 537916626 /nfs/dbraw/zinc/91/66/26/537916626.db2.gz UFSSZSWYZAHBAW-GFCCVEGCSA-N 2 1 234.347 1.624 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309610779 187310315 /nfs/dbraw/zinc/31/03/15/187310315.db2.gz MQHKJXGXACTOGV-AGIUHOORSA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)[C@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000310349925 187312593 /nfs/dbraw/zinc/31/25/93/187312593.db2.gz GVZMQFJWDZTELR-KBPBESRZSA-N 3 1 241.423 1.824 20 0 BDADMP CC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000380306250 346024419 /nfs/dbraw/zinc/02/44/19/346024419.db2.gz FQYMYRFWFVXBNJ-NSHDSACASA-N 2 1 208.349 1.860 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000163540900 323103628 /nfs/dbraw/zinc/10/36/28/323103628.db2.gz GDFAZGAUGUMLHW-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1[nH+]cc(CN[C@H](C)C[N@H+](C)C(C)C)n1C ZINC000577077981 365807774 /nfs/dbraw/zinc/80/77/74/365807774.db2.gz QQQLNNYVZONURX-LLVKDONJSA-N 2 1 238.379 1.547 20 0 BDADMP Cc1[nH+]cc(CN[C@H](C)C[N@@H+](C)C(C)C)n1C ZINC000577077981 365807782 /nfs/dbraw/zinc/80/77/82/365807782.db2.gz QQQLNNYVZONURX-LLVKDONJSA-N 2 1 238.379 1.547 20 0 BDADMP Cc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313396571 179074953 /nfs/dbraw/zinc/07/49/53/179074953.db2.gz QDKZWZKLDPLVQZ-CQSZACIVSA-N 2 1 234.343 1.545 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CCc1cn[nH]c1)CC[NH2+]CC2 ZINC000641799742 362749685 /nfs/dbraw/zinc/74/96/85/362749685.db2.gz QRTOODRSKRTBKL-LBPRGKRZSA-N 2 1 248.374 1.416 20 0 BDADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)on1 ZINC000641800019 362748713 /nfs/dbraw/zinc/74/87/13/362748713.db2.gz VWPYIVAKWHKQCD-SNVBAGLBSA-N 2 1 239.319 1.244 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)CCC(C)C ZINC000577098025 365814551 /nfs/dbraw/zinc/81/45/51/365814551.db2.gz PFVDEDQPMDBIEV-CYBMUJFWSA-N 2 1 239.363 1.578 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCCN1CCc1c[nH+]cn1C ZINC000641797208 362742382 /nfs/dbraw/zinc/74/23/82/362742382.db2.gz XWVQTRFLYPGPGK-DGCLKSJQSA-N 2 1 236.363 1.164 20 0 BDADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641805401 362762727 /nfs/dbraw/zinc/76/27/27/362762727.db2.gz NSIMTHYKJOHXFX-VHSXEESVSA-N 2 1 241.379 1.007 20 0 BDADMP CC1(C)[C@H]([NH2+]CCCC2CC[NH2+]CC2)C[C@@H]1N ZINC000641802005 362757855 /nfs/dbraw/zinc/75/78/55/362757855.db2.gz XNWSHNRESAULLC-QWHCGFSZSA-N 2 1 239.407 1.482 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000037256232 346679888 /nfs/dbraw/zinc/67/98/88/346679888.db2.gz JTAFKQVULXAHKU-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H]1CCCCC[N@H+]1C[C@H](O)CN(C)CC ZINC000380087975 365870536 /nfs/dbraw/zinc/87/05/36/365870536.db2.gz UETPJJKNFDXQNF-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000380087975 365870541 /nfs/dbraw/zinc/87/05/41/365870541.db2.gz UETPJJKNFDXQNF-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000380087975 365870545 /nfs/dbraw/zinc/87/05/45/365870545.db2.gz UETPJJKNFDXQNF-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000380087975 365870548 /nfs/dbraw/zinc/87/05/48/365870548.db2.gz UETPJJKNFDXQNF-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000380087975 365870553 /nfs/dbraw/zinc/87/05/53/365870553.db2.gz UETPJJKNFDXQNF-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334122 347226537 /nfs/dbraw/zinc/22/65/37/347226537.db2.gz IRQAYZHJKYWRBA-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000149765681 347514085 /nfs/dbraw/zinc/51/40/85/347514085.db2.gz UXPSDSKJQIYQHK-FVCCEPFGSA-N 2 1 226.364 1.613 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccsc2)CCOCC1 ZINC000149805377 347521806 /nfs/dbraw/zinc/52/18/06/347521806.db2.gz ZVDRIFWLAPJZCN-UHFFFAOYSA-N 2 1 226.345 1.346 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310352359 229601570 /nfs/dbraw/zinc/60/15/70/229601570.db2.gz HFIKUMMCOGSXGV-DGCLKSJQSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310352359 229601574 /nfs/dbraw/zinc/60/15/74/229601574.db2.gz HFIKUMMCOGSXGV-DGCLKSJQSA-N 2 1 236.363 1.320 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000070909072 179377268 /nfs/dbraw/zinc/37/72/68/179377268.db2.gz QDJBRVYENJVBHK-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP Cc1cccnc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000161862075 179377853 /nfs/dbraw/zinc/37/78/53/179377853.db2.gz YGSOIUFDHDWJGW-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623488012 362911442 /nfs/dbraw/zinc/91/14/42/362911442.db2.gz DRSOOGCEJVNYBN-RYUDHWBXSA-N 2 1 244.379 1.110 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)O)CC1(C)C ZINC000623496380 362920278 /nfs/dbraw/zinc/92/02/78/362920278.db2.gz SPNNRWNLMWSRAO-NSHDSACASA-N 2 1 228.380 1.610 20 0 BDADMP CCOC(=O)CCCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595900267 348394338 /nfs/dbraw/zinc/39/43/38/348394338.db2.gz XQMPOSNNTCZRJJ-UHFFFAOYSA-N 2 1 230.352 1.389 20 0 BDADMP CSCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906270 348397195 /nfs/dbraw/zinc/39/71/95/348397195.db2.gz IOTZLRPNBNQHNN-GFCCVEGCSA-N 2 1 246.420 1.392 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)O1 ZINC000251798518 362922580 /nfs/dbraw/zinc/92/25/80/362922580.db2.gz LVMUFSPIZVWESH-WISYIIOYSA-N 2 1 212.337 1.366 20 0 BDADMP C[C@@H](C[NH2+]Cc1cnc(C2CC2)nc1)C[NH+](C)C ZINC000419741389 192143878 /nfs/dbraw/zinc/14/38/78/192143878.db2.gz CJYZWNFIFDSAMI-NSHDSACASA-N 2 1 248.374 1.641 20 0 BDADMP CCc1ncc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000419743741 192145055 /nfs/dbraw/zinc/14/50/55/192145055.db2.gz HIGGFLFTTCXBFH-NSHDSACASA-N 2 1 236.363 1.326 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000308799832 348642725 /nfs/dbraw/zinc/64/27/25/348642725.db2.gz ADKTYLHLXNUKQC-UTUOFQBUSA-N 2 1 228.405 1.669 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000309025125 323194363 /nfs/dbraw/zinc/19/43/63/323194363.db2.gz XMBYGWPOENSTMT-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000309025125 323194364 /nfs/dbraw/zinc/19/43/64/323194364.db2.gz XMBYGWPOENSTMT-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000309025125 323194365 /nfs/dbraw/zinc/19/43/65/323194365.db2.gz XMBYGWPOENSTMT-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](CCN)CCCOc1ccccc1 ZINC000061815645 490194271 /nfs/dbraw/zinc/19/42/71/490194271.db2.gz FPOUTFRDJWQWQJ-UHFFFAOYSA-N 2 1 222.332 1.736 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)C ZINC000308823834 348761428 /nfs/dbraw/zinc/76/14/28/348761428.db2.gz KIGDRJGSNPEVPS-NSHDSACASA-N 2 1 216.369 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)C ZINC000308823834 348761430 /nfs/dbraw/zinc/76/14/30/348761430.db2.gz KIGDRJGSNPEVPS-NSHDSACASA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)C ZINC000308823834 348761432 /nfs/dbraw/zinc/76/14/32/348761432.db2.gz KIGDRJGSNPEVPS-NSHDSACASA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)C ZINC000308823834 348761433 /nfs/dbraw/zinc/76/14/33/348761433.db2.gz KIGDRJGSNPEVPS-NSHDSACASA-N 2 1 216.369 1.277 20 0 BDADMP CCC[N@@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669383809 538013332 /nfs/dbraw/zinc/01/33/32/538013332.db2.gz YKPMPYOSZQSSML-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000082847707 348838002 /nfs/dbraw/zinc/83/80/02/348838002.db2.gz RVBYSIPYURROIG-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP CCc1nc(N(C)C2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000420132149 192168477 /nfs/dbraw/zinc/16/84/77/192168477.db2.gz AIVDYKPWJWQHJW-UHFFFAOYSA-N 2 1 234.347 1.536 20 0 BDADMP CCc1cc(N(C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000420138200 192169107 /nfs/dbraw/zinc/16/91/07/192169107.db2.gz MPKUUHXMEYVDNC-UHFFFAOYSA-N 2 1 234.347 1.536 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000250648930 538022581 /nfs/dbraw/zinc/02/25/81/538022581.db2.gz WEHLWPKLUSTSML-MGPQQGTHSA-N 2 1 237.391 1.012 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000250363047 349169449 /nfs/dbraw/zinc/16/94/49/349169449.db2.gz UHNURHIVYYERQM-FRRDWIJNSA-N 2 1 225.380 1.330 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250521233 349174949 /nfs/dbraw/zinc/17/49/49/349174949.db2.gz STRXLTKSFOSKMO-RYUDHWBXSA-N 2 1 228.405 1.812 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250559948 349175145 /nfs/dbraw/zinc/17/51/45/349175145.db2.gz CESWUKKBVMLPFO-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250559948 349175146 /nfs/dbraw/zinc/17/51/46/349175146.db2.gz CESWUKKBVMLPFO-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250559948 349175149 /nfs/dbraw/zinc/17/51/49/349175149.db2.gz CESWUKKBVMLPFO-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000253119075 349224303 /nfs/dbraw/zinc/22/43/03/349224303.db2.gz LCXXFTUKXPZAJV-VOAKCMCISA-N 2 1 226.364 1.328 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623528396 362947403 /nfs/dbraw/zinc/94/74/03/362947403.db2.gz KLBUXXFZUJCILP-IJLUTSLNSA-N 2 1 228.380 1.872 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422708934 192438069 /nfs/dbraw/zinc/43/80/69/192438069.db2.gz JVXFOPUSMXIDOH-STQMWFEESA-N 2 1 227.396 1.435 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(CC)(CC)CC ZINC000309199260 350167882 /nfs/dbraw/zinc/16/78/82/350167882.db2.gz BDEZUFMQTRZZPD-LBPRGKRZSA-N 2 1 230.396 1.857 20 0 BDADMP Cc1ncc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000062862653 180151356 /nfs/dbraw/zinc/15/13/56/180151356.db2.gz BXVNPIGROPXWPX-GFCCVEGCSA-N 2 1 239.388 1.931 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1(CO)CC1 ZINC000353023295 180233859 /nfs/dbraw/zinc/23/38/59/180233859.db2.gz FWZPJBZDOJZECX-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1(CO)CC1 ZINC000353023295 180233860 /nfs/dbraw/zinc/23/38/60/180233860.db2.gz FWZPJBZDOJZECX-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000336726019 180240106 /nfs/dbraw/zinc/24/01/06/180240106.db2.gz UGKYQHRFTMQVKL-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000336726019 180240109 /nfs/dbraw/zinc/24/01/09/180240109.db2.gz UGKYQHRFTMQVKL-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000360000378 180236946 /nfs/dbraw/zinc/23/69/46/180236946.db2.gz KVHBIEBXWGYQHQ-ZDUSSCGKSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](CN)C1CC1 ZINC000360000378 180236949 /nfs/dbraw/zinc/23/69/49/180236949.db2.gz KVHBIEBXWGYQHQ-ZDUSSCGKSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ncc[nH]1 ZINC000174453170 180237114 /nfs/dbraw/zinc/23/71/14/180237114.db2.gz FDJKJDHTJVLSES-UHFFFAOYSA-N 2 1 233.319 1.485 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335137693 133797401 /nfs/dbraw/zinc/79/74/01/133797401.db2.gz NIBXWQGXWYJRRC-TYUFSLCMSA-N 2 1 225.380 1.506 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000427698874 191089211 /nfs/dbraw/zinc/08/92/11/191089211.db2.gz RDZWEZMITDSZFL-MBJXGIAVSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000427698874 191089212 /nfs/dbraw/zinc/08/92/12/191089212.db2.gz RDZWEZMITDSZFL-MBJXGIAVSA-N 2 1 238.375 1.484 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000337946475 180247260 /nfs/dbraw/zinc/24/72/60/180247260.db2.gz NKODIBSZNLYGNC-DGCLKSJQSA-N 2 1 236.363 1.121 20 0 BDADMP Cc1[nH+]ccn1CCN(C)CC[NH+]1CCCC1 ZINC000336720915 180250445 /nfs/dbraw/zinc/25/04/45/180250445.db2.gz YPULXBFNJZEKDE-UHFFFAOYSA-N 2 1 236.363 1.219 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000336712369 180255446 /nfs/dbraw/zinc/25/54/46/180255446.db2.gz OIOUZLFAJOUIHL-KBPBESRZSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000336712369 180255447 /nfs/dbraw/zinc/25/54/47/180255447.db2.gz OIOUZLFAJOUIHL-KBPBESRZSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000336705954 180241342 /nfs/dbraw/zinc/24/13/42/180241342.db2.gz UHOWWMYLNNDYJI-MELADBBJSA-N 2 1 249.358 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000336705954 180241345 /nfs/dbraw/zinc/24/13/45/180241345.db2.gz UHOWWMYLNNDYJI-MELADBBJSA-N 2 1 249.358 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369657248 180242273 /nfs/dbraw/zinc/24/22/73/180242273.db2.gz ULIITORETFDWGC-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369657248 180242275 /nfs/dbraw/zinc/24/22/75/180242275.db2.gz ULIITORETFDWGC-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CC[C@@H]1CCOC1 ZINC000338955344 180244490 /nfs/dbraw/zinc/24/44/90/180244490.db2.gz MSPYJQIKGVALNE-CYBMUJFWSA-N 2 1 237.347 1.598 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)COC(C)C ZINC000337334189 180245139 /nfs/dbraw/zinc/24/51/39/180245139.db2.gz KIDGAADKAOTRAY-LBPRGKRZSA-N 2 1 239.363 1.985 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000277519215 180262679 /nfs/dbraw/zinc/26/26/79/180262679.db2.gz QRNFFFVKKADXAW-JQWIXIFHSA-N 2 1 223.320 1.206 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnn1C ZINC000177557455 180266154 /nfs/dbraw/zinc/26/61/54/180266154.db2.gz CUVRLDKGTXCQRB-NSHDSACASA-N 2 1 247.346 1.351 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccn1C ZINC000119070734 180266409 /nfs/dbraw/zinc/26/64/09/180266409.db2.gz JXOMAVUYDPECIA-GFCCVEGCSA-N 2 1 246.358 1.956 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)CN(C)CC ZINC000309305996 350274452 /nfs/dbraw/zinc/27/44/52/350274452.db2.gz ZRFAOMHQWGBULA-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000309305996 350274455 /nfs/dbraw/zinc/27/44/55/350274455.db2.gz ZRFAOMHQWGBULA-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000309305996 350274458 /nfs/dbraw/zinc/27/44/58/350274458.db2.gz ZRFAOMHQWGBULA-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000309305996 350274461 /nfs/dbraw/zinc/27/44/61/350274461.db2.gz ZRFAOMHQWGBULA-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000309305996 350274463 /nfs/dbraw/zinc/27/44/63/350274463.db2.gz ZRFAOMHQWGBULA-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000565156161 323324531 /nfs/dbraw/zinc/32/45/31/323324531.db2.gz HMNCKOPSASUIBX-RWMBFGLXSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000216244099 180318112 /nfs/dbraw/zinc/31/81/12/180318112.db2.gz ZGGBOVXSOJOKKA-WPRPVWTQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000216244099 180318114 /nfs/dbraw/zinc/31/81/14/180318114.db2.gz ZGGBOVXSOJOKKA-WPRPVWTQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168494761 180318132 /nfs/dbraw/zinc/31/81/32/180318132.db2.gz KSSYCOBDPXIZHD-SCZZXKLOSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291712497 180320001 /nfs/dbraw/zinc/32/00/01/180320001.db2.gz LOTYTXBBCPMHRV-VIFPVBQESA-N 2 1 227.377 1.739 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000427888947 191100333 /nfs/dbraw/zinc/10/03/33/191100333.db2.gz ZBRHOTVRXYRTCK-FRRDWIJNSA-N 2 1 248.374 1.270 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)CC[N@H+]1C ZINC000427888947 191100336 /nfs/dbraw/zinc/10/03/36/191100336.db2.gz ZBRHOTVRXYRTCK-FRRDWIJNSA-N 2 1 248.374 1.270 20 0 BDADMP Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000162777507 350425638 /nfs/dbraw/zinc/42/56/38/350425638.db2.gz NYYYQJIIZXGXPH-ZDUSSCGKSA-N 2 1 234.347 1.048 20 0 BDADMP Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)cc[nH+]1 ZINC000162777507 350425640 /nfs/dbraw/zinc/42/56/40/350425640.db2.gz NYYYQJIIZXGXPH-ZDUSSCGKSA-N 2 1 234.347 1.048 20 0 BDADMP Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)cc[nH+]1 ZINC000162777507 350425642 /nfs/dbraw/zinc/42/56/42/350425642.db2.gz NYYYQJIIZXGXPH-ZDUSSCGKSA-N 2 1 234.347 1.048 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000336701995 350458366 /nfs/dbraw/zinc/45/83/66/350458366.db2.gz MQNPIUSGKOVANJ-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC000336701995 350458367 /nfs/dbraw/zinc/45/83/67/350458367.db2.gz MQNPIUSGKOVANJ-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC2(C)COC2)CC1 ZINC000336709905 350461886 /nfs/dbraw/zinc/46/18/86/350461886.db2.gz XXSPSTNCBVPUOL-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC2(C)COC2)CC1 ZINC000336709905 350461889 /nfs/dbraw/zinc/46/18/89/350461889.db2.gz XXSPSTNCBVPUOL-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000061588892 350518753 /nfs/dbraw/zinc/51/87/53/350518753.db2.gz OHWZEBYOAPHDSK-GFCCVEGCSA-N 2 1 228.405 1.956 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000070624129 350553731 /nfs/dbraw/zinc/55/37/31/350553731.db2.gz MLBRZJPXVLNBRW-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623551745 362971635 /nfs/dbraw/zinc/97/16/35/362971635.db2.gz GBUJXXQAAPISIR-LBPRGKRZSA-N 2 1 239.407 1.543 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623551745 362971640 /nfs/dbraw/zinc/97/16/40/362971640.db2.gz GBUJXXQAAPISIR-LBPRGKRZSA-N 2 1 239.407 1.543 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623551745 362971644 /nfs/dbraw/zinc/97/16/44/362971644.db2.gz GBUJXXQAAPISIR-LBPRGKRZSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000251867419 362972765 /nfs/dbraw/zinc/97/27/65/362972765.db2.gz QHFGHUGEYDOZRJ-JHJVBQTASA-N 2 1 228.380 1.859 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC)C1 ZINC000564794063 350662354 /nfs/dbraw/zinc/66/23/54/350662354.db2.gz SUTUYSQNYLUBNV-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000563270981 350747180 /nfs/dbraw/zinc/74/71/80/350747180.db2.gz ICHKUDKEISINAV-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000575935034 350777986 /nfs/dbraw/zinc/77/79/86/350777986.db2.gz CNVSHRBEBNEZMW-OUAUKWLOSA-N 2 1 234.347 1.127 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)n[nH]c1C ZINC000036864588 358463289 /nfs/dbraw/zinc/46/32/89/358463289.db2.gz HBFAMUGRLSXMON-UHFFFAOYSA-N 2 1 238.379 1.848 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000577739714 366048152 /nfs/dbraw/zinc/04/81/52/366048152.db2.gz BSBUZMDSRFMCHE-QWHCGFSZSA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000577739714 366048155 /nfs/dbraw/zinc/04/81/55/366048155.db2.gz BSBUZMDSRFMCHE-QWHCGFSZSA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000577739714 366048157 /nfs/dbraw/zinc/04/81/57/366048157.db2.gz BSBUZMDSRFMCHE-QWHCGFSZSA-N 3 1 227.396 1.304 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)CC1CCOCC1 ZINC000414791155 351773068 /nfs/dbraw/zinc/77/30/68/351773068.db2.gz AZLFGFYGXZOVJF-RISCZKNCSA-N 2 1 240.391 1.766 20 0 BDADMP C[N@@H+](CCC[C@H]1CCO1)CC1CC[NH+](C)CC1 ZINC000638029655 351910178 /nfs/dbraw/zinc/91/01/78/351910178.db2.gz RJFYVOLSFONKHJ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638077936 351951269 /nfs/dbraw/zinc/95/12/69/351951269.db2.gz YORPZGQNJUCWHN-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083846971 351957705 /nfs/dbraw/zinc/95/77/05/351957705.db2.gz FHRCOVYSEWPSMJ-WODVXLOZSA-N 2 1 226.364 1.626 20 0 BDADMP COC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083846971 351957708 /nfs/dbraw/zinc/95/77/08/351957708.db2.gz FHRCOVYSEWPSMJ-WODVXLOZSA-N 2 1 226.364 1.626 20 0 BDADMP C[NH+]1CCC([NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638303122 352132520 /nfs/dbraw/zinc/13/25/20/352132520.db2.gz BKSAYWSFTGJOTR-UHFFFAOYSA-N 2 1 234.347 1.270 20 0 BDADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638280386 352116387 /nfs/dbraw/zinc/11/63/87/352116387.db2.gz FCQAYJLLNHYZTG-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+]1CCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638280386 352116391 /nfs/dbraw/zinc/11/63/91/352116391.db2.gz FCQAYJLLNHYZTG-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000638380595 352190765 /nfs/dbraw/zinc/19/07/65/352190765.db2.gz CUGWDZKMEDRHHV-QWHCGFSZSA-N 2 1 248.374 1.339 20 0 BDADMP Cc1cc(CN)oc1C(=O)N(C)Cc1c[nH]cn1 ZINC000638402424 352207573 /nfs/dbraw/zinc/20/75/73/352207573.db2.gz MJGNUMUOLIPAEN-UHFFFAOYSA-N 2 1 248.286 1.042 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638409441 352218892 /nfs/dbraw/zinc/21/88/92/352218892.db2.gz MHDKIBGIAZPOLH-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638458712 352270041 /nfs/dbraw/zinc/27/00/41/352270041.db2.gz UYGAEIQPSJILMI-CLLJXQQHSA-N 2 1 219.332 1.827 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000638462476 352273896 /nfs/dbraw/zinc/27/38/96/352273896.db2.gz NPIPRGDKQAZMAA-NSHDSACASA-N 2 1 245.330 1.202 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000307358340 352336528 /nfs/dbraw/zinc/33/65/28/352336528.db2.gz DOHBYGZIWYQULJ-LPEHRKFASA-N 2 1 200.351 1.222 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414949095 352370386 /nfs/dbraw/zinc/37/03/86/352370386.db2.gz ZOJVTBVCZJKYNS-RNJOBUHISA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCO2)CC[N@H+]1C ZINC000638706029 352544772 /nfs/dbraw/zinc/54/47/72/352544772.db2.gz DJZGMKBRCYNMNE-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415013986 352550505 /nfs/dbraw/zinc/55/05/05/352550505.db2.gz WDJJWKZCGGWQHL-MNOVXSKESA-N 2 1 222.332 1.911 20 0 BDADMP C[NH+]1CCC([NH2+][C@]2(C)CCCOC2)CC1 ZINC000334217655 352818531 /nfs/dbraw/zinc/81/85/31/352818531.db2.gz HNSBCVSSJQVPSE-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[N@H+]1CCCn1ccnc1 ZINC000412063484 191256929 /nfs/dbraw/zinc/25/69/29/191256929.db2.gz BEBWYOBGSOWITN-OLZOCXBDSA-N 2 1 237.347 1.366 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]C1CSC1 ZINC000379397093 538106045 /nfs/dbraw/zinc/10/60/45/538106045.db2.gz DGADTFVPIQDZAR-UHFFFAOYSA-N 2 1 202.367 1.422 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1CSC1 ZINC000379397093 538106046 /nfs/dbraw/zinc/10/60/46/538106046.db2.gz DGADTFVPIQDZAR-UHFFFAOYSA-N 2 1 202.367 1.422 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC1(F)F ZINC000638839222 353016487 /nfs/dbraw/zinc/01/64/87/353016487.db2.gz ZVCRKKGQKHGXQB-MWLCHTKSSA-N 2 1 230.302 1.882 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOCc1ccccc1 ZINC000306479117 353018118 /nfs/dbraw/zinc/01/81/18/353018118.db2.gz BCYZOAKKWPAPBT-UHFFFAOYSA-N 2 1 222.332 1.484 20 0 BDADMP CC(C)([NH3+])CN1CCC[N@H+](C2CCCC2)CC1 ZINC000335866091 188003158 /nfs/dbraw/zinc/00/31/58/188003158.db2.gz XWYUPLUDEYTNKQ-UHFFFAOYSA-N 2 1 239.407 1.674 20 0 BDADMP CC(C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231338 188006185 /nfs/dbraw/zinc/00/61/85/188006185.db2.gz NFNJHDINANGKJK-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[N@@H+](C[C@@H](C)O)C[C@@H]1CCC[NH2+]C1 ZINC000220371959 188009442 /nfs/dbraw/zinc/00/94/42/188009442.db2.gz ZEILZACDJMXSQA-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336690391 188011697 /nfs/dbraw/zinc/01/16/97/188011697.db2.gz GVEWLKOMCVWWNN-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000336690391 188011699 /nfs/dbraw/zinc/01/16/99/188011699.db2.gz GVEWLKOMCVWWNN-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000336690391 188011701 /nfs/dbraw/zinc/01/17/01/188011701.db2.gz GVEWLKOMCVWWNN-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)CC2(C)COC2)CC1 ZINC000336720931 188012522 /nfs/dbraw/zinc/01/25/22/188012522.db2.gz YQRWQRZZQMZXOO-UHFFFAOYSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[N@@H+](C[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000041046050 188043055 /nfs/dbraw/zinc/04/30/55/188043055.db2.gz ZTEWQNBYKMRJCL-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043428079 188043085 /nfs/dbraw/zinc/04/30/85/188043085.db2.gz PCWORDFDCCWCOI-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043428079 188043086 /nfs/dbraw/zinc/04/30/86/188043086.db2.gz PCWORDFDCCWCOI-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336411037 188056527 /nfs/dbraw/zinc/05/65/27/188056527.db2.gz KBNCVOKDRLPLPQ-PHIMTYICSA-N 2 1 248.374 1.358 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336411037 188056528 /nfs/dbraw/zinc/05/65/28/188056528.db2.gz KBNCVOKDRLPLPQ-PHIMTYICSA-N 2 1 248.374 1.358 20 0 BDADMP CC(C)C[C@H](CN[C@H]1C[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000343272474 353295614 /nfs/dbraw/zinc/29/56/14/353295614.db2.gz UOOAWCPRKCQQJI-MJBXVCDLSA-N 2 1 241.423 1.502 20 0 BDADMP CC(C)C[C@H](CN[C@H]1C[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000343272474 353295618 /nfs/dbraw/zinc/29/56/18/353295618.db2.gz UOOAWCPRKCQQJI-MJBXVCDLSA-N 2 1 241.423 1.502 20 0 BDADMP Cc1ccc(CC[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000639049166 353347615 /nfs/dbraw/zinc/34/76/15/353347615.db2.gz JJCDNOCQQAKMDU-OAHLLOKOSA-N 2 1 248.370 1.194 20 0 BDADMP Cc1ccc(CC[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000639049166 353347616 /nfs/dbraw/zinc/34/76/16/353347616.db2.gz JJCDNOCQQAKMDU-OAHLLOKOSA-N 2 1 248.370 1.194 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1cccnc1N(C)C ZINC000343284708 353348278 /nfs/dbraw/zinc/34/82/78/353348278.db2.gz URHSLQCTWNCBJI-YPMHNXCESA-N 2 1 248.374 1.187 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cccnc1N(C)C ZINC000343284708 353348280 /nfs/dbraw/zinc/34/82/80/353348280.db2.gz URHSLQCTWNCBJI-YPMHNXCESA-N 2 1 248.374 1.187 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000226543038 538116595 /nfs/dbraw/zinc/11/65/95/538116595.db2.gz YXXJCERVRPLCDC-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cn[nH]c1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000334509196 353407541 /nfs/dbraw/zinc/40/75/41/353407541.db2.gz STDVOYRFPJTVGD-OCCSQVGLSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cn[nH]c1CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000334509196 353407544 /nfs/dbraw/zinc/40/75/44/353407544.db2.gz STDVOYRFPJTVGD-OCCSQVGLSA-N 2 1 248.374 1.634 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC000639103278 353577924 /nfs/dbraw/zinc/57/79/24/353577924.db2.gz JPKHMEFLWXHRSA-ZDUSSCGKSA-N 2 1 249.358 1.703 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC000639103278 353577928 /nfs/dbraw/zinc/57/79/28/353577928.db2.gz JPKHMEFLWXHRSA-ZDUSSCGKSA-N 2 1 249.358 1.703 20 0 BDADMP Cc1cccnc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231461866 353605937 /nfs/dbraw/zinc/60/59/37/353605937.db2.gz LFWIBDJRZJPJCC-CYBMUJFWSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1cccnc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231461866 353605938 /nfs/dbraw/zinc/60/59/38/353605938.db2.gz LFWIBDJRZJPJCC-CYBMUJFWSA-N 2 1 233.359 1.964 20 0 BDADMP CCC[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113786 353714633 /nfs/dbraw/zinc/71/46/33/353714633.db2.gz VIZZATZLNMSHFM-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CCC[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)OC ZINC000639113786 353714635 /nfs/dbraw/zinc/71/46/35/353714635.db2.gz VIZZATZLNMSHFM-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CCC[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)OC ZINC000639113786 353714639 /nfs/dbraw/zinc/71/46/39/353714639.db2.gz VIZZATZLNMSHFM-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000232688739 353749454 /nfs/dbraw/zinc/74/94/54/353749454.db2.gz HBYNSQKINFBVAB-BFHYXJOUSA-N 2 1 240.391 1.718 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000334530255 353907415 /nfs/dbraw/zinc/90/74/15/353907415.db2.gz IRRXFQMPTDSAJH-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000334530255 353907418 /nfs/dbraw/zinc/90/74/18/353907418.db2.gz IRRXFQMPTDSAJH-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC000343559616 353934070 /nfs/dbraw/zinc/93/40/70/353934070.db2.gz FDIJLDUWGMRGRS-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](CC)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC000343559617 353934096 /nfs/dbraw/zinc/93/40/96/353934096.db2.gz FDIJLDUWGMRGRS-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000343686572 353963720 /nfs/dbraw/zinc/96/37/20/353963720.db2.gz BOERNKORFQIGAR-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000343686572 353963723 /nfs/dbraw/zinc/96/37/23/353963723.db2.gz BOERNKORFQIGAR-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000343686570 353963648 /nfs/dbraw/zinc/96/36/48/353963648.db2.gz BOERNKORFQIGAR-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000343686570 353963649 /nfs/dbraw/zinc/96/36/49/353963649.db2.gz BOERNKORFQIGAR-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000343686570 353963651 /nfs/dbraw/zinc/96/36/51/353963651.db2.gz BOERNKORFQIGAR-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000343686570 353963652 /nfs/dbraw/zinc/96/36/52/353963652.db2.gz BOERNKORFQIGAR-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000343686570 353963653 /nfs/dbraw/zinc/96/36/53/353963653.db2.gz BOERNKORFQIGAR-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000343686572 353963713 /nfs/dbraw/zinc/96/37/13/353963713.db2.gz BOERNKORFQIGAR-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[NH+]1CC[C@H](CN[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000343686572 353963715 /nfs/dbraw/zinc/96/37/15/353963715.db2.gz BOERNKORFQIGAR-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[NH+]1CC[C@H](CN[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000343686572 353963718 /nfs/dbraw/zinc/96/37/18/353963718.db2.gz BOERNKORFQIGAR-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CO[C@H](CC(C)C)C[N@@H+](C)CCC[NH+](C)C ZINC000639167715 354038866 /nfs/dbraw/zinc/03/88/66/354038866.db2.gz KDAWRRBUDUVTMJ-CYBMUJFWSA-N 2 1 230.396 1.931 20 0 BDADMP CC(C)CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344017963 354080908 /nfs/dbraw/zinc/08/09/08/354080908.db2.gz FFSKPCJKMXFYAB-UHFFFAOYSA-N 2 1 243.439 1.848 20 0 BDADMP C[C@H](F)CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028052 354089888 /nfs/dbraw/zinc/08/98/88/354089888.db2.gz LZRPDHGUCSKNDJ-ZDUSSCGKSA-N 2 1 247.402 1.550 20 0 BDADMP CN(CCC[N@@H+](C)CC1CCC1)CC[NH+](C)C ZINC000344047150 354120903 /nfs/dbraw/zinc/12/09/03/354120903.db2.gz YNQRYVPSQUWUKZ-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639170739 354125021 /nfs/dbraw/zinc/12/50/21/354125021.db2.gz WVGKUPNRZKHYHN-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639170741 354125300 /nfs/dbraw/zinc/12/53/00/354125300.db2.gz WVGKUPNRZKHYHN-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000334589747 354218510 /nfs/dbraw/zinc/21/85/10/354218510.db2.gz SFYHPJXZWSCGDQ-MFKMUULPSA-N 2 1 236.363 1.490 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000334589747 354218513 /nfs/dbraw/zinc/21/85/13/354218513.db2.gz SFYHPJXZWSCGDQ-MFKMUULPSA-N 2 1 236.363 1.490 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@@]1(OC)CCOC1 ZINC000639176560 354199752 /nfs/dbraw/zinc/19/97/52/354199752.db2.gz YMYWZHHVGYKMPU-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP CC1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000231787475 363354109 /nfs/dbraw/zinc/35/41/09/363354109.db2.gz IIDBZPOJRKGASJ-MOENNCHZSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344331023 354227175 /nfs/dbraw/zinc/22/71/75/354227175.db2.gz ONQSEEWSNXMLDQ-WFASDCNBSA-N 2 1 249.402 1.321 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639187433 354385750 /nfs/dbraw/zinc/38/57/50/354385750.db2.gz AVIHVTVBAPXCOX-QWHCGFSZSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639187433 354385752 /nfs/dbraw/zinc/38/57/52/354385752.db2.gz AVIHVTVBAPXCOX-QWHCGFSZSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cnc(N(C)C)n1C ZINC000335085883 354620098 /nfs/dbraw/zinc/62/00/98/354620098.db2.gz OIGQJTGDVMUPLS-PHIMTYICSA-N 2 1 236.363 1.859 20 0 BDADMP COCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366913408 354772911 /nfs/dbraw/zinc/77/29/11/354772911.db2.gz OBNZRODIXSEPNX-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP CC(C)COCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000232680233 363378937 /nfs/dbraw/zinc/37/89/37/363378937.db2.gz ULLLLBHXCBDGJH-RYUDHWBXSA-N 2 1 214.353 1.328 20 0 BDADMP CCC(=O)CCC[NH+]1CCC(N(C)C)CC1 ZINC000232852208 363385213 /nfs/dbraw/zinc/38/52/13/363385213.db2.gz SPWRVMMTYOSCEG-UHFFFAOYSA-N 2 1 226.364 1.772 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc2C1 ZINC000235460972 363445689 /nfs/dbraw/zinc/44/56/89/363445689.db2.gz CEMVDEKLDYZDKI-ZWNOBZJWSA-N 2 1 204.317 1.481 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@@H+]1C ZINC000639223000 354923925 /nfs/dbraw/zinc/92/39/25/354923925.db2.gz QWCBFYGWQITJKI-NDBYEHHHSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@H+]1C ZINC000639223000 354923929 /nfs/dbraw/zinc/92/39/29/354923929.db2.gz QWCBFYGWQITJKI-NDBYEHHHSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([NH2+]C)C2)CCO1 ZINC000346652375 355002902 /nfs/dbraw/zinc/00/29/02/355002902.db2.gz QNYBGVJMNDTCCR-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH2+]C)C2)CCO1 ZINC000346652375 355002905 /nfs/dbraw/zinc/00/29/05/355002905.db2.gz QNYBGVJMNDTCCR-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccsc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346686653 355012656 /nfs/dbraw/zinc/01/26/56/355012656.db2.gz RZPQPPOIOSDISU-VHSXEESVSA-N 2 1 240.372 1.926 20 0 BDADMP C1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C2(C1)CCOCC2 ZINC000335182217 355079518 /nfs/dbraw/zinc/07/95/18/355079518.db2.gz SKOPCETXLMCJHQ-STQMWFEESA-N 2 1 238.375 1.677 20 0 BDADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000346891046 355145735 /nfs/dbraw/zinc/14/57/35/355145735.db2.gz VWPBGUGLHCPDEL-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000346973906 355209109 /nfs/dbraw/zinc/20/91/09/355209109.db2.gz IMHYYNQKJWRSLO-RYUDHWBXSA-N 2 1 227.396 1.386 20 0 BDADMP CCC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000346988473 355189323 /nfs/dbraw/zinc/18/93/23/355189323.db2.gz RGKCPIQJFVCVKO-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000335259556 355199527 /nfs/dbraw/zinc/19/95/27/355199527.db2.gz XBGLBNCQRONFPH-NOZJJQNGSA-N 2 1 238.306 1.619 20 0 BDADMP CCc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000347007032 355202832 /nfs/dbraw/zinc/20/28/32/355202832.db2.gz DDVKSPANCKITPE-SNVBAGLBSA-N 2 1 239.388 1.876 20 0 BDADMP CCc1ncc(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000347007032 355202834 /nfs/dbraw/zinc/20/28/34/355202834.db2.gz DDVKSPANCKITPE-SNVBAGLBSA-N 2 1 239.388 1.876 20 0 BDADMP CC[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000412978720 191348863 /nfs/dbraw/zinc/34/88/63/191348863.db2.gz QYFXEWAKIVXQIS-ZDUSSCGKSA-N 2 1 228.380 1.874 20 0 BDADMP CCC[C@H](C)[C@@H](CO)[NH2+]CCn1cc[nH+]c1C ZINC000583503065 355335054 /nfs/dbraw/zinc/33/50/54/355335054.db2.gz PHPAJVJICCJFHX-WCQYABFASA-N 2 1 239.363 1.578 20 0 BDADMP CO[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000639256711 355300132 /nfs/dbraw/zinc/30/01/32/355300132.db2.gz DTRLFVRGCCDLHT-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCC2(O)CCC2)CC[N@H+]1C ZINC000639277053 355353405 /nfs/dbraw/zinc/35/34/05/355353405.db2.gz RQZKOPYTUQTOEP-QWHCGFSZSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414698588 191548246 /nfs/dbraw/zinc/54/82/46/191548246.db2.gz DFNABZFIMCPKBT-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1CCCC1 ZINC000166444193 355464004 /nfs/dbraw/zinc/46/40/04/355464004.db2.gz NGNASSOGARBSRM-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000166444193 355464006 /nfs/dbraw/zinc/46/40/06/355464006.db2.gz NGNASSOGARBSRM-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000166444193 355464009 /nfs/dbraw/zinc/46/40/09/355464009.db2.gz NGNASSOGARBSRM-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000414840576 191596036 /nfs/dbraw/zinc/59/60/36/191596036.db2.gz MMBRQEOOVBTUKV-MNOVXSKESA-N 2 1 216.394 1.845 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)nc1 ZINC000414907317 191621920 /nfs/dbraw/zinc/62/19/20/191621920.db2.gz QHKZGKOWLUAQTB-CQSZACIVSA-N 2 1 233.359 1.869 20 0 BDADMP C[C@@H]1CC(C[NH2+]C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000335819085 355510224 /nfs/dbraw/zinc/51/02/24/355510224.db2.gz HETVTODWTWSVTE-VXGBXAGGSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000414974353 191638634 /nfs/dbraw/zinc/63/86/34/191638634.db2.gz JXFKACCTRUJFBJ-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350181311 355621476 /nfs/dbraw/zinc/62/14/76/355621476.db2.gz NMYOMFGJSJVOJY-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOC)C1 ZINC000350182134 355622171 /nfs/dbraw/zinc/62/21/71/355622171.db2.gz XEENISKLZNWXGC-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+]1C ZINC000639323886 355717300 /nfs/dbraw/zinc/71/73/00/355717300.db2.gz FUMMIQCOSYOBTR-RXGFPQBGSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@H+]1C ZINC000639323886 355717303 /nfs/dbraw/zinc/71/73/03/355717303.db2.gz FUMMIQCOSYOBTR-RXGFPQBGSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000350724181 355749423 /nfs/dbraw/zinc/74/94/23/355749423.db2.gz HZURCJKSGXFAIV-VIFPVBQESA-N 2 1 246.314 1.818 20 0 BDADMP CSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129641048 355765884 /nfs/dbraw/zinc/76/58/84/355765884.db2.gz ZHOJNMNVQOYGNL-VHSXEESVSA-N 2 1 202.367 1.422 20 0 BDADMP Cc1nccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000351657978 356046187 /nfs/dbraw/zinc/04/61/87/356046187.db2.gz FRFCZHIGMJBPBJ-BXUZGUMPSA-N 2 1 248.374 1.700 20 0 BDADMP CCC1(C[NH2+][C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000261587995 535296285 /nfs/dbraw/zinc/29/62/85/535296285.db2.gz SCPLQBHOLVSXRX-GFCCVEGCSA-N 2 1 226.364 1.535 20 0 BDADMP C(C[N@H+]1CCC[C@H]1C1CCC1)N1CC[NH2+]CC1 ZINC000420297485 192205053 /nfs/dbraw/zinc/20/50/53/192205053.db2.gz FYNYVPMCJJHUPD-AWEZNQCLSA-N 2 1 237.391 1.156 20 0 BDADMP CO[C@H](C)C[N@@H+](CC[C@H]1CC[NH2+]C1)C(C)C ZINC000420300412 192206703 /nfs/dbraw/zinc/20/67/03/192206703.db2.gz KIFWHEBTOMXJSG-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000420287689 192202110 /nfs/dbraw/zinc/20/21/10/192202110.db2.gz XSYDLPZIFFBVLD-ONGXEEELSA-N 2 1 249.314 1.042 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000420292414 192202562 /nfs/dbraw/zinc/20/25/62/192202562.db2.gz PHWUMXBWAPFOJU-NSHDSACASA-N 2 1 228.336 1.143 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000420292414 192202563 /nfs/dbraw/zinc/20/25/63/192202563.db2.gz PHWUMXBWAPFOJU-NSHDSACASA-N 2 1 228.336 1.143 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420314799 192213292 /nfs/dbraw/zinc/21/32/92/192213292.db2.gz LLGPKOSZWHXOQP-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349706 192217384 /nfs/dbraw/zinc/21/73/84/192217384.db2.gz DRFJXNPPYPHVBS-SKDRFNHKSA-N 2 1 226.295 1.138 20 0 BDADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349706 192217385 /nfs/dbraw/zinc/21/73/85/192217385.db2.gz DRFJXNPPYPHVBS-SKDRFNHKSA-N 2 1 226.295 1.138 20 0 BDADMP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)c(C)n1 ZINC000420304898 192209265 /nfs/dbraw/zinc/20/92/65/192209265.db2.gz JKISZCTUOOZKFK-UHFFFAOYSA-N 2 1 219.332 1.669 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000420317194 192212126 /nfs/dbraw/zinc/21/21/26/192212126.db2.gz MQIBHKWUPDXOKB-JSGCOSHPSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CCn1cccn1 ZINC000420314477 192212656 /nfs/dbraw/zinc/21/26/56/192212656.db2.gz KCAUFYOGFAXOTJ-ZDUSSCGKSA-N 2 1 236.363 1.205 20 0 BDADMP C[C@@H]([NH3+])CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000420367851 192226232 /nfs/dbraw/zinc/22/62/32/192226232.db2.gz WILSLBUBBMCORJ-KOLCDFICSA-N 2 1 249.362 1.209 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000420322742 192227436 /nfs/dbraw/zinc/22/74/36/192227436.db2.gz SVRSHRCFBUQAJL-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC[NH+]1CCCCC1 ZINC000420322742 192227437 /nfs/dbraw/zinc/22/74/37/192227437.db2.gz SVRSHRCFBUQAJL-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322232 192228539 /nfs/dbraw/zinc/22/85/39/192228539.db2.gz WJJRFSVVLZDJST-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326174 192229147 /nfs/dbraw/zinc/22/91/47/192229147.db2.gz JLCTZFUXQJJEJW-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1cc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)no1 ZINC000420326504 192230700 /nfs/dbraw/zinc/23/07/00/192230700.db2.gz XMXGXDFGBNIDFE-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP Cc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)no1 ZINC000420326504 192230702 /nfs/dbraw/zinc/23/07/02/192230702.db2.gz XMXGXDFGBNIDFE-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP CC[N@H+](CCC[NH2+]C)CCc1nccs1 ZINC000420356659 192219443 /nfs/dbraw/zinc/21/94/43/192219443.db2.gz GRFQQYRHJZOUCQ-UHFFFAOYSA-N 2 1 227.377 1.617 20 0 BDADMP CC[N@@H+](CCC[NH2+]C)CCc1nccs1 ZINC000420356659 192219446 /nfs/dbraw/zinc/21/94/46/192219446.db2.gz GRFQQYRHJZOUCQ-UHFFFAOYSA-N 2 1 227.377 1.617 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@H]1CCCO1 ZINC000420361902 192221349 /nfs/dbraw/zinc/22/13/49/192221349.db2.gz MUNDTJJNBOITMF-GHMZBOCLSA-N 2 1 214.353 1.519 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000420362633 192221588 /nfs/dbraw/zinc/22/15/88/192221588.db2.gz AZKBRLHCTDZQJR-UHFFFAOYSA-N 2 1 235.375 1.794 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCCC2(CCCC2)C1 ZINC000420361211 192221674 /nfs/dbraw/zinc/22/16/74/192221674.db2.gz MXHGSTRLVRWCDE-UHFFFAOYSA-N 2 1 226.364 1.618 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1cccnc1 ZINC000420360899 192221826 /nfs/dbraw/zinc/22/18/26/192221826.db2.gz HOSALTRQDPIWKT-MBNYWOFBSA-N 2 1 233.359 1.600 20 0 BDADMP COCCCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420358848 192221832 /nfs/dbraw/zinc/22/18/32/192221832.db2.gz FGTBPWUMYHUBIU-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP COCCCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420358848 192221834 /nfs/dbraw/zinc/22/18/34/192221834.db2.gz FGTBPWUMYHUBIU-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CCOCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361975 192223006 /nfs/dbraw/zinc/22/30/06/192223006.db2.gz HKYBUZAGRDDZPT-CYBMUJFWSA-N 2 1 226.364 1.489 20 0 BDADMP CCC(C)(C)CC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420362670 192223729 /nfs/dbraw/zinc/22/37/29/192223729.db2.gz ZMPGBEMQSKLNHS-SNVBAGLBSA-N 2 1 202.342 1.064 20 0 BDADMP CC(C)COCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420368703 192225675 /nfs/dbraw/zinc/22/56/75/192225675.db2.gz UMYXCYQAHMNRDW-LLVKDONJSA-N 2 1 216.369 1.622 20 0 BDADMP C[C@H]([NH3+])CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420383703 192234959 /nfs/dbraw/zinc/23/49/59/192234959.db2.gz ZWBWSHZWZBUKBO-OUCADQQQSA-N 2 1 237.391 1.282 20 0 BDADMP C[C@H]1CC[N@@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000420410742 192239781 /nfs/dbraw/zinc/23/97/81/192239781.db2.gz RHVMHCVFDWVIBM-WCQYABFASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000167588225 134100357 /nfs/dbraw/zinc/10/03/57/134100357.db2.gz ARBIXILHINXDRB-RYUDHWBXSA-N 2 1 219.332 1.498 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420378404 192233600 /nfs/dbraw/zinc/23/36/00/192233600.db2.gz UBWANCZCPXKLTB-QWHCGFSZSA-N 2 1 248.374 1.936 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420930884 192287653 /nfs/dbraw/zinc/28/76/53/192287653.db2.gz CTYRZQZBXVDJLP-ZIAGYGMSSA-N 2 1 242.407 1.669 20 0 BDADMP Cn1cncc1CNCC[N@H+]1CCCC1(C)C ZINC000449780919 202035667 /nfs/dbraw/zinc/03/56/67/202035667.db2.gz HEFYIDQENYFJRN-UHFFFAOYSA-N 2 1 236.363 1.384 20 0 BDADMP Cn1cncc1C[NH2+]CCN1CCCC1(C)C ZINC000449780919 202035670 /nfs/dbraw/zinc/03/56/70/202035670.db2.gz HEFYIDQENYFJRN-UHFFFAOYSA-N 2 1 236.363 1.384 20 0 BDADMP CCCC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405582275 491095805 /nfs/dbraw/zinc/09/58/05/491095805.db2.gz KJUAFICSCBZZCC-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C1CC1)c1c[nH+]ccc1N ZINC000422938908 192512046 /nfs/dbraw/zinc/51/20/46/192512046.db2.gz LHOGKNAJSFGYNJ-DTWKUNHWSA-N 2 1 205.305 1.943 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422912046 192504562 /nfs/dbraw/zinc/50/45/62/192504562.db2.gz VBKMQCPWVSFZOY-MCIONIFRSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@H]1OCC[C@@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000639676529 356585535 /nfs/dbraw/zinc/58/55/35/356585535.db2.gz UHGQVMRICLYMSV-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ccno2)C[C@@H]1C[NH3+] ZINC000167652349 134153229 /nfs/dbraw/zinc/15/32/29/134153229.db2.gz YPJDZODBYQTTKY-UWVGGRQHSA-N 2 1 209.293 1.091 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccno2)C[C@@H]1C[NH3+] ZINC000167652349 134153230 /nfs/dbraw/zinc/15/32/30/134153230.db2.gz YPJDZODBYQTTKY-UWVGGRQHSA-N 2 1 209.293 1.091 20 0 BDADMP Fc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287702 356657180 /nfs/dbraw/zinc/65/71/80/356657180.db2.gz UYDQLEJYHAWGNK-RYUDHWBXSA-N 2 1 220.291 1.477 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc[nH]3)C2)CC1 ZINC000639758806 356669961 /nfs/dbraw/zinc/66/99/61/356669961.db2.gz WZYZAHWWKBKICC-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP C[NH+]1CCC2(CC[N@H+](Cc3c[nH]cn3)C2)CC1 ZINC000639758806 356669965 /nfs/dbraw/zinc/66/99/65/356669965.db2.gz WZYZAHWWKBKICC-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]cn3)C2)CC1 ZINC000639758806 356669970 /nfs/dbraw/zinc/66/99/70/356669970.db2.gz WZYZAHWWKBKICC-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP CCSCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167667221 134153782 /nfs/dbraw/zinc/15/37/82/134153782.db2.gz GSDVLQOPYKUWTK-WDEREUQCSA-N 2 1 216.394 1.656 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423141744 192585614 /nfs/dbraw/zinc/58/56/14/192585614.db2.gz ROVWLSCEIBYKAZ-NWDGAFQWSA-N 2 1 227.396 1.304 20 0 BDADMP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336829 356728540 /nfs/dbraw/zinc/72/85/40/356728540.db2.gz HQXJEUDXJRGNJT-GFCCVEGCSA-N 2 1 241.423 1.789 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335386 356716932 /nfs/dbraw/zinc/71/69/32/356716932.db2.gz KXDIYPHACVHTLS-QWRGUYRKSA-N 2 1 214.353 1.484 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000353466581 538744359 /nfs/dbraw/zinc/74/43/59/538744359.db2.gz ZRIKLKNRQSFIAV-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cncn1C ZINC000353568422 538749077 /nfs/dbraw/zinc/74/90/77/538749077.db2.gz JACIKUCDJGBYSH-MDZLAQPJSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cncn1C ZINC000353568422 538749085 /nfs/dbraw/zinc/74/90/85/538749085.db2.gz JACIKUCDJGBYSH-MDZLAQPJSA-N 2 1 236.363 1.238 20 0 BDADMP COCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623392677 356986014 /nfs/dbraw/zinc/98/60/14/356986014.db2.gz MBSGZIKGXHNCSV-VXGBXAGGSA-N 2 1 228.380 1.874 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000390578230 357101679 /nfs/dbraw/zinc/10/16/79/357101679.db2.gz WNGNMASAHNRPPR-GZMMTYOYSA-N 2 1 208.309 1.030 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000390578230 357101682 /nfs/dbraw/zinc/10/16/82/357101682.db2.gz WNGNMASAHNRPPR-GZMMTYOYSA-N 2 1 208.309 1.030 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000390678167 357110638 /nfs/dbraw/zinc/11/06/38/357110638.db2.gz YMCQCQMFIIHPGQ-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP Cc1cc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)on1 ZINC000623404058 357079201 /nfs/dbraw/zinc/07/92/01/357079201.db2.gz PKCIHLQFEFDKPE-NSHDSACASA-N 2 1 237.347 1.945 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000390065926 357082180 /nfs/dbraw/zinc/08/21/80/357082180.db2.gz ZUYZTJVSICSXPV-ZYHUDNBSSA-N 2 1 220.320 1.208 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000390065926 357082182 /nfs/dbraw/zinc/08/21/82/357082182.db2.gz ZUYZTJVSICSXPV-ZYHUDNBSSA-N 2 1 220.320 1.208 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000390065925 357082397 /nfs/dbraw/zinc/08/23/97/357082397.db2.gz ZUYZTJVSICSXPV-PWSUYJOCSA-N 2 1 220.320 1.208 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000390065925 357082399 /nfs/dbraw/zinc/08/23/99/357082399.db2.gz ZUYZTJVSICSXPV-PWSUYJOCSA-N 2 1 220.320 1.208 20 0 BDADMP CCn1ccnc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392204427 357143060 /nfs/dbraw/zinc/14/30/60/357143060.db2.gz ABGJDCSSOLDXGJ-UHFFFAOYSA-N 2 1 234.347 1.255 20 0 BDADMP CCn1ccnc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392204427 357143064 /nfs/dbraw/zinc/14/30/64/357143064.db2.gz ABGJDCSSOLDXGJ-UHFFFAOYSA-N 2 1 234.347 1.255 20 0 BDADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305158149 357185922 /nfs/dbraw/zinc/18/59/22/357185922.db2.gz WJODRDJVQGBHEF-MGPQQGTHSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000393244032 357279561 /nfs/dbraw/zinc/27/95/61/357279561.db2.gz NJBCPXSWQWYFON-XQHKEYJVSA-N 2 1 226.364 1.349 20 0 BDADMP Cc1ccncc1C[NH2+]CCC[NH+]1CCC1 ZINC000582976719 357443913 /nfs/dbraw/zinc/44/39/13/357443913.db2.gz YUEOVVQVWBVGMI-UHFFFAOYSA-N 2 1 219.332 1.575 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])[C@H]1COc2ccccc21 ZINC000582786758 357394303 /nfs/dbraw/zinc/39/43/03/357394303.db2.gz CEIAOAYLNLSKOR-MWLCHTKSSA-N 2 1 206.289 1.099 20 0 BDADMP Cn1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000230899552 357578571 /nfs/dbraw/zinc/57/85/71/357578571.db2.gz VLVZQTSHFOAMGE-UONOGXRCSA-N 2 1 248.374 1.179 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361152635 538868049 /nfs/dbraw/zinc/86/80/49/538868049.db2.gz JZFIPTHVXPAWAR-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CCCCOCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671026 357618436 /nfs/dbraw/zinc/61/84/36/357618436.db2.gz RLCHHAYLUXDEFD-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CCCn1ccnc1 ZINC000191272705 357760839 /nfs/dbraw/zinc/76/08/39/357760839.db2.gz XWKNGDVZKRSDHL-FUNVUKJBSA-N 2 1 237.347 1.507 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CCO ZINC000191479540 357773250 /nfs/dbraw/zinc/77/32/50/357773250.db2.gz KDRCWYYLZLTDBW-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP C[C@H]1CSC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000397898658 357792894 /nfs/dbraw/zinc/79/28/94/357792894.db2.gz RJPANCVZYBHXSD-CMPLNLGQSA-N 2 1 239.388 1.694 20 0 BDADMP C[NH+](C)CCC1CC[NH+](Cc2ncccn2)CC1 ZINC000191957901 357806002 /nfs/dbraw/zinc/80/60/02/357806002.db2.gz PGVAPURFSXYWEN-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1C2CCC1CC2)C1CC1 ZINC000399398734 357905654 /nfs/dbraw/zinc/90/56/54/357905654.db2.gz NDMMSGKGQFYAJR-WXRRBKDZSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1C2CCC1CC2)C1CC1 ZINC000399398734 357905657 /nfs/dbraw/zinc/90/56/57/357905657.db2.gz NDMMSGKGQFYAJR-WXRRBKDZSA-N 2 1 224.348 1.068 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000217646055 357909822 /nfs/dbraw/zinc/90/98/22/357909822.db2.gz ONCRVRJGTWQCBW-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP CCCN(CC)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000217646055 357909824 /nfs/dbraw/zinc/90/98/24/357909824.db2.gz ONCRVRJGTWQCBW-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000584404663 357912209 /nfs/dbraw/zinc/91/22/09/357912209.db2.gz JITAAVAFZPZJHW-QWRGUYRKSA-N 3 1 201.358 1.090 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)CC1(C)C ZINC000623417753 357958331 /nfs/dbraw/zinc/95/83/31/357958331.db2.gz NLBPRCIGEXQOTI-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CCCn1cc(C[N@H+](C)CCC[NH3+])cn1 ZINC000220231696 358028637 /nfs/dbraw/zinc/02/86/37/358028637.db2.gz RJNYLSWIJAHFDX-UHFFFAOYSA-N 2 1 210.325 1.074 20 0 BDADMP CCCn1cc(C[N@@H+](C)CCC[NH3+])cn1 ZINC000220231696 358028639 /nfs/dbraw/zinc/02/86/39/358028639.db2.gz RJNYLSWIJAHFDX-UHFFFAOYSA-N 2 1 210.325 1.074 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168701711 134246479 /nfs/dbraw/zinc/24/64/79/134246479.db2.gz CKJSLPODJUYOHU-CYBMUJFWSA-N 3 1 227.396 1.450 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)CC[N@@H+]1C ZINC000090721292 363596393 /nfs/dbraw/zinc/59/63/93/363596393.db2.gz GUYUXYMFHUVLJL-YPMHNXCESA-N 2 1 234.343 1.965 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)CC[N@H+]1C ZINC000090721292 363596395 /nfs/dbraw/zinc/59/63/95/363596395.db2.gz GUYUXYMFHUVLJL-YPMHNXCESA-N 2 1 234.343 1.965 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](CCCCO)CC1 ZINC000640017885 358080590 /nfs/dbraw/zinc/08/05/90/358080590.db2.gz MGNCIHMMXUZLRW-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP CSC[C@@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000584775304 358175088 /nfs/dbraw/zinc/17/50/88/358175088.db2.gz GLBQNQRCTDWRFC-LBPRGKRZSA-N 2 1 246.420 1.174 20 0 BDADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000584714657 358160025 /nfs/dbraw/zinc/16/00/25/358160025.db2.gz XCEHXZVMIWRQDO-NEPJUHHUSA-N 3 1 213.369 1.058 20 0 BDADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000584714660 358160044 /nfs/dbraw/zinc/16/00/44/358160044.db2.gz XCEHXZVMIWRQDO-VXGBXAGGSA-N 3 1 213.369 1.058 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000584839344 358199144 /nfs/dbraw/zinc/19/91/44/358199144.db2.gz ZNTCIOZATMXVLJ-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000223008295 358214104 /nfs/dbraw/zinc/21/41/04/358214104.db2.gz FLWDBVYMNUMRIK-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000222911492 358216096 /nfs/dbraw/zinc/21/60/96/358216096.db2.gz DDQXVMQNKOILGM-MGPQQGTHSA-N 2 1 241.423 1.822 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)COC)C1 ZINC000225713228 358331730 /nfs/dbraw/zinc/33/17/30/358331730.db2.gz VSUAQYXDVSQKOS-NEPJUHHUSA-N 2 1 214.353 1.200 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1CCCSC1 ZINC000252689641 366410499 /nfs/dbraw/zinc/41/04/99/366410499.db2.gz RTPXFDFDEAEDNS-UWVGGRQHSA-N 2 1 200.351 1.305 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1CCCSC1 ZINC000252689641 366410506 /nfs/dbraw/zinc/41/05/06/366410506.db2.gz RTPXFDFDEAEDNS-UWVGGRQHSA-N 2 1 200.351 1.305 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000226880777 358346700 /nfs/dbraw/zinc/34/67/00/358346700.db2.gz QRSYMGPKKGUWMO-SCZZXKLOSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000226880777 358346702 /nfs/dbraw/zinc/34/67/02/358346702.db2.gz QRSYMGPKKGUWMO-SCZZXKLOSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000229662109 358406009 /nfs/dbraw/zinc/40/60/09/358406009.db2.gz PSJKPCVKNZDOSO-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCOC1 ZINC000044982056 358398583 /nfs/dbraw/zinc/39/85/83/358398583.db2.gz JKKMCGOAWBBARK-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](C)CO ZINC000623427465 358436098 /nfs/dbraw/zinc/43/60/98/358436098.db2.gz AQOSHCUVERMWRB-IJLUTSLNSA-N 2 1 228.380 1.466 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000045657423 358564628 /nfs/dbraw/zinc/56/46/28/358564628.db2.gz WZBGEEUIMDKZOT-FDYHWXHSSA-N 2 1 228.380 1.587 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCOCC1 ZINC000129924389 358601623 /nfs/dbraw/zinc/60/16/23/358601623.db2.gz SOCVWICKNNQHHR-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(OC)CC2)C1 ZINC000129996615 358603878 /nfs/dbraw/zinc/60/38/78/358603878.db2.gz IIIPKQGKTPMHGZ-IYXRBSQSSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000131325991 358671482 /nfs/dbraw/zinc/67/14/82/358671482.db2.gz PPHOWPQNJJQMOL-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H](O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000131325991 358671485 /nfs/dbraw/zinc/67/14/85/358671485.db2.gz PPHOWPQNJJQMOL-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(O)CCC1 ZINC000133422089 358754434 /nfs/dbraw/zinc/75/44/34/358754434.db2.gz VNLVVVXPBOSUAR-IJLUTSLNSA-N 2 1 226.364 1.220 20 0 BDADMP CCOC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000050067243 358712477 /nfs/dbraw/zinc/71/24/77/358712477.db2.gz OTTYMMNISFCDDT-UHFFFAOYSA-N 2 1 242.363 1.357 20 0 BDADMP CCOC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000050067243 358712478 /nfs/dbraw/zinc/71/24/78/358712478.db2.gz OTTYMMNISFCDDT-UHFFFAOYSA-N 2 1 242.363 1.357 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)C(C)C ZINC000132390702 358720541 /nfs/dbraw/zinc/72/05/41/358720541.db2.gz IQOUSHBCBUTOIQ-CYBMUJFWSA-N 2 1 239.363 1.578 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000135468198 358839460 /nfs/dbraw/zinc/83/94/60/358839460.db2.gz SVATXGIEJGOGIO-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000135468198 358839464 /nfs/dbraw/zinc/83/94/64/358839464.db2.gz SVATXGIEJGOGIO-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423308869 192696264 /nfs/dbraw/zinc/69/62/64/192696264.db2.gz KFHLORFQEULZTD-NEPJUHHUSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000623430869 358890828 /nfs/dbraw/zinc/89/08/28/358890828.db2.gz JNXAVBGLWHZQGV-XQQFMLRXSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000070351544 359050629 /nfs/dbraw/zinc/05/06/29/359050629.db2.gz PSNZWLHTSQLYNJ-AAVRWANBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000070351544 359050634 /nfs/dbraw/zinc/05/06/34/359050634.db2.gz PSNZWLHTSQLYNJ-AAVRWANBSA-N 2 1 238.375 1.770 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000071293365 359074689 /nfs/dbraw/zinc/07/46/89/359074689.db2.gz SYSGWOZQOXAWER-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP Cc1c[nH+]ccc1N[C@H](C)C[NH+]1CCOCC1 ZINC000070489600 359057156 /nfs/dbraw/zinc/05/71/56/359057156.db2.gz CCKHTFWUYBLQQM-GFCCVEGCSA-N 2 1 235.331 1.523 20 0 BDADMP FC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000308857013 491139114 /nfs/dbraw/zinc/13/91/14/491139114.db2.gz RUIUQWDPGPZDAS-MNOVXSKESA-N 2 1 212.312 1.705 20 0 BDADMP FC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000308857013 491139115 /nfs/dbraw/zinc/13/91/15/491139115.db2.gz RUIUQWDPGPZDAS-MNOVXSKESA-N 2 1 212.312 1.705 20 0 BDADMP FC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000308857011 491139118 /nfs/dbraw/zinc/13/91/18/491139118.db2.gz RUIUQWDPGPZDAS-GHMZBOCLSA-N 2 1 212.312 1.705 20 0 BDADMP FC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000308857011 491139119 /nfs/dbraw/zinc/13/91/19/491139119.db2.gz RUIUQWDPGPZDAS-GHMZBOCLSA-N 2 1 212.312 1.705 20 0 BDADMP CCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247047392 359189497 /nfs/dbraw/zinc/18/94/97/359189497.db2.gz VQBOGSHSWKRVFM-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247047392 359189498 /nfs/dbraw/zinc/18/94/98/359189498.db2.gz VQBOGSHSWKRVFM-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247047392 359189499 /nfs/dbraw/zinc/18/94/99/359189499.db2.gz VQBOGSHSWKRVFM-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccn3)CC[C@H]21 ZINC000247954286 359249131 /nfs/dbraw/zinc/24/91/31/359249131.db2.gz FJPFYDWDUZMQLZ-DZGCQCFKSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccn3)CC[C@H]21 ZINC000247954286 359249136 /nfs/dbraw/zinc/24/91/36/359249136.db2.gz FJPFYDWDUZMQLZ-DZGCQCFKSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000247954286 359249141 /nfs/dbraw/zinc/24/91/41/359249141.db2.gz FJPFYDWDUZMQLZ-DZGCQCFKSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]21 ZINC000247954286 359249143 /nfs/dbraw/zinc/24/91/43/359249143.db2.gz FJPFYDWDUZMQLZ-DZGCQCFKSA-N 2 1 245.370 1.998 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423514428 192799918 /nfs/dbraw/zinc/79/99/18/192799918.db2.gz WOEOUDCNGDDLFG-CKYFFXLPSA-N 2 1 214.353 1.517 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)CC ZINC000379540864 359540526 /nfs/dbraw/zinc/54/05/26/359540526.db2.gz PHPGTKSGXMCGDJ-WDEREUQCSA-N 2 1 202.342 1.029 20 0 BDADMP CC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000379540864 359540528 /nfs/dbraw/zinc/54/05/28/359540528.db2.gz PHPGTKSGXMCGDJ-WDEREUQCSA-N 2 1 202.342 1.029 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000379540864 359540530 /nfs/dbraw/zinc/54/05/30/359540530.db2.gz PHPGTKSGXMCGDJ-WDEREUQCSA-N 2 1 202.342 1.029 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)CC ZINC000379540863 359540616 /nfs/dbraw/zinc/54/06/16/359540616.db2.gz PHPGTKSGXMCGDJ-QWRGUYRKSA-N 2 1 202.342 1.029 20 0 BDADMP CC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000379540863 359540618 /nfs/dbraw/zinc/54/06/18/359540618.db2.gz PHPGTKSGXMCGDJ-QWRGUYRKSA-N 2 1 202.342 1.029 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000379540863 359540623 /nfs/dbraw/zinc/54/06/23/359540623.db2.gz PHPGTKSGXMCGDJ-QWRGUYRKSA-N 2 1 202.342 1.029 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000580434603 359546046 /nfs/dbraw/zinc/54/60/46/359546046.db2.gz BWSVEDVLSFJGMX-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623470276 359770520 /nfs/dbraw/zinc/77/05/20/359770520.db2.gz HBARHLMYAWJOSD-STQMWFEESA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623470275 359770448 /nfs/dbraw/zinc/77/04/48/359770448.db2.gz HBARHLMYAWJOSD-QWHCGFSZSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000578379531 366546259 /nfs/dbraw/zinc/54/62/59/366546259.db2.gz BQGZRHKXZGDGKB-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP CCCC[N@@H+](C)CCNc1nc(C)ncc1C ZINC000578522478 366589016 /nfs/dbraw/zinc/58/90/16/366589016.db2.gz MQXHLMPBQKGQPO-UHFFFAOYSA-N 2 1 236.363 1.659 20 0 BDADMP C[C@H]([N@@H+](C)CCN1CC[NH2+]CC1)C1(C)CC1 ZINC000087364879 359908499 /nfs/dbraw/zinc/90/84/99/359908499.db2.gz NAEFPQGHAIOFTL-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000088102663 359937323 /nfs/dbraw/zinc/93/73/23/359937323.db2.gz HYBZFGDHMZTALY-CQSZACIVSA-N 2 1 246.354 1.587 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000088102663 359937327 /nfs/dbraw/zinc/93/73/27/359937327.db2.gz HYBZFGDHMZTALY-CQSZACIVSA-N 2 1 246.354 1.587 20 0 BDADMP CCN(CC)[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000089749463 360036626 /nfs/dbraw/zinc/03/66/26/360036626.db2.gz SMKJWTLDQVYBBM-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+](CC)[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000089749463 360036628 /nfs/dbraw/zinc/03/66/28/360036628.db2.gz SMKJWTLDQVYBBM-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089358 360216705 /nfs/dbraw/zinc/21/67/05/360216705.db2.gz WLUGMNDECJBRNH-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000093462343 360245905 /nfs/dbraw/zinc/24/59/05/360245905.db2.gz JCCLTYNJEBSOLX-UONOGXRCSA-N 3 1 241.423 1.839 20 0 BDADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874336 360286225 /nfs/dbraw/zinc/28/62/25/360286225.db2.gz JMTWBEPETUAERP-JTQLQIEISA-N 2 1 243.395 1.206 20 0 BDADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874336 360286226 /nfs/dbraw/zinc/28/62/26/360286226.db2.gz JMTWBEPETUAERP-JTQLQIEISA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874175 360286375 /nfs/dbraw/zinc/28/63/75/360286375.db2.gz MEYSHTBCAXTLDL-WDEREUQCSA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874175 360286377 /nfs/dbraw/zinc/28/63/77/360286377.db2.gz MEYSHTBCAXTLDL-WDEREUQCSA-N 2 1 243.395 1.206 20 0 BDADMP CC(C)CNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874142 360286419 /nfs/dbraw/zinc/28/64/19/360286419.db2.gz AQFRLKLRGLBTIB-NSHDSACASA-N 2 1 243.395 1.064 20 0 BDADMP CC(C)CNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874142 360286420 /nfs/dbraw/zinc/28/64/20/360286420.db2.gz AQFRLKLRGLBTIB-NSHDSACASA-N 2 1 243.395 1.064 20 0 BDADMP C[C@@H](CO)CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623474669 360410346 /nfs/dbraw/zinc/41/03/46/360410346.db2.gz LDMZHZKNJYCHBL-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000114481315 360456772 /nfs/dbraw/zinc/45/67/72/360456772.db2.gz BNRNKZZNINUCEE-OLZOCXBDSA-N 2 1 220.316 1.235 20 0 BDADMP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000114481315 360456775 /nfs/dbraw/zinc/45/67/75/360456775.db2.gz BNRNKZZNINUCEE-OLZOCXBDSA-N 2 1 220.316 1.235 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000629384736 361032690 /nfs/dbraw/zinc/03/26/90/361032690.db2.gz BNXZFBWSZWKAEM-QWRGUYRKSA-N 2 1 226.389 1.756 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000629388727 361035111 /nfs/dbraw/zinc/03/51/11/361035111.db2.gz PFRRPFYLMRLMFJ-SCUASFONSA-N 2 1 237.391 1.199 20 0 BDADMP [NH3+]C1(C[NH2+]C/C=C\c2ccccc2)CCOCC1 ZINC000629388356 361041233 /nfs/dbraw/zinc/04/12/33/361041233.db2.gz SYWKNHOIMRVQEM-DAXSKMNVSA-N 2 1 246.354 1.797 20 0 BDADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629409402 361057829 /nfs/dbraw/zinc/05/78/29/361057829.db2.gz APKZKOBJJKULRD-MBNYWOFBSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@H+]1C1CC1 ZINC000629411961 361060797 /nfs/dbraw/zinc/06/07/97/361060797.db2.gz JEIWQKPBBJEQSF-FVCCEPFGSA-N 2 1 237.391 1.342 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCCCO ZINC000309661897 491154089 /nfs/dbraw/zinc/15/40/89/491154089.db2.gz GIWIBQKYEXGHCJ-OLZOCXBDSA-N 2 1 230.396 1.856 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCCCO ZINC000309661897 491154090 /nfs/dbraw/zinc/15/40/90/491154090.db2.gz GIWIBQKYEXGHCJ-OLZOCXBDSA-N 2 1 230.396 1.856 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629521540 361118053 /nfs/dbraw/zinc/11/80/53/361118053.db2.gz UNWBEGUBEMZCSA-RAIGVLPGSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+])C1CC1 ZINC000629515066 361112849 /nfs/dbraw/zinc/11/28/49/361112849.db2.gz QKDRQETZUXQDMU-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+])C1CC1 ZINC000629515066 361112855 /nfs/dbraw/zinc/11/28/55/361112855.db2.gz QKDRQETZUXQDMU-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H](C[N@H+](C)[C@H](CN)C1CC1)C1CC1 ZINC000629532048 361149906 /nfs/dbraw/zinc/14/99/06/361149906.db2.gz JLMVABYKSKQOGN-CHWSQXEVSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@H](C[N@@H+](C)[C@H](CN)C1CC1)C1CC1 ZINC000629532048 361149910 /nfs/dbraw/zinc/14/99/10/361149910.db2.gz JLMVABYKSKQOGN-CHWSQXEVSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)C1CC1 ZINC000629532048 361149913 /nfs/dbraw/zinc/14/99/13/361149913.db2.gz JLMVABYKSKQOGN-CHWSQXEVSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)C1CC1 ZINC000629532048 361149916 /nfs/dbraw/zinc/14/99/16/361149916.db2.gz JLMVABYKSKQOGN-CHWSQXEVSA-N 2 1 226.364 1.471 20 0 BDADMP CSC1(C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000579163938 366726294 /nfs/dbraw/zinc/72/62/94/366726294.db2.gz WHKNOLQVLACXMM-UHFFFAOYSA-N 2 1 216.394 1.766 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C1(CO)CCC1 ZINC000429263176 201085231 /nfs/dbraw/zinc/08/52/31/201085231.db2.gz IQYVKJOQJYTEDN-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP [NH3+]CCCOCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629539419 361405952 /nfs/dbraw/zinc/40/59/52/361405952.db2.gz QYJRRTWHMXUBNL-UONOGXRCSA-N 3 1 249.358 1.086 20 0 BDADMP [NH3+]C1(C[NH2+]CCOc2ccc(F)cc2)CCC1 ZINC000342141400 181333109 /nfs/dbraw/zinc/33/31/09/181333109.db2.gz POIKMOSOKZVXOQ-UHFFFAOYSA-N 2 1 238.306 1.676 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544069 361421701 /nfs/dbraw/zinc/42/17/01/361421701.db2.gz GHYXZVJWHSVCQZ-NEPJUHHUSA-N 2 1 235.331 1.537 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000629545829 361427078 /nfs/dbraw/zinc/42/70/78/361427078.db2.gz CTINFGMDYXOXRH-SCUASFONSA-N 2 1 238.375 1.674 20 0 BDADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cn1 ZINC000629546189 361427813 /nfs/dbraw/zinc/42/78/13/361427813.db2.gz OAALRNAQTSWJDP-GMXVVIOVSA-N 2 1 249.358 1.361 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCC2 ZINC000629546883 361429775 /nfs/dbraw/zinc/42/97/75/361429775.db2.gz YNTJAFMUWGNQGQ-QNWHQSFQSA-N 2 1 238.375 1.674 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000629548537 361434704 /nfs/dbraw/zinc/43/47/04/361434704.db2.gz PTNUQWNZLLQLKZ-YVECIDJPSA-N 2 1 225.380 1.057 20 0 BDADMP CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000629553267 361437583 /nfs/dbraw/zinc/43/75/83/361437583.db2.gz DQIBDXLGZXXUFI-UPJWGTAASA-N 2 1 240.391 1.778 20 0 BDADMP CCCCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000629553546 361439175 /nfs/dbraw/zinc/43/91/75/361439175.db2.gz XDHXDNYZFONJJY-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000629551475 361444147 /nfs/dbraw/zinc/44/41/47/361444147.db2.gz UECOTXCTSUZOLA-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000629551475 361444152 /nfs/dbraw/zinc/44/41/52/361444152.db2.gz UECOTXCTSUZOLA-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000629542038 361418273 /nfs/dbraw/zinc/41/82/73/361418273.db2.gz XFYZCQURTVDSNK-ITGHMWBKSA-N 3 1 237.391 1.105 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000629569382 361461586 /nfs/dbraw/zinc/46/15/86/361461586.db2.gz BQMMVBOXQGRUIS-GFCCVEGCSA-N 2 1 237.347 1.310 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCCC1CCC1 ZINC000629571705 361461874 /nfs/dbraw/zinc/46/18/74/361461874.db2.gz HSPAAQWEBVWPRE-UHFFFAOYSA-N 2 1 228.380 1.735 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000430944704 201158679 /nfs/dbraw/zinc/15/86/79/201158679.db2.gz UPBUDZFSQSLXDT-NSHDSACASA-N 2 1 238.306 1.485 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+](C)CCOCC[NH3+] ZINC000629578564 361465058 /nfs/dbraw/zinc/46/50/58/361465058.db2.gz RIQLWTOJFGYUAH-NSHDSACASA-N 2 1 223.320 1.050 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000629581076 361471252 /nfs/dbraw/zinc/47/12/52/361471252.db2.gz MGUNGCHMMHSQPF-OLZOCXBDSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@](C[NH3+])([NH2+]Cc1cccnc1)C1CC1 ZINC000433493348 201188124 /nfs/dbraw/zinc/18/81/24/201188124.db2.gz JLVLXFODAXSOTI-GFCCVEGCSA-N 2 1 205.305 1.299 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC1(OC)CCCC1 ZINC000629654885 361559102 /nfs/dbraw/zinc/55/91/02/361559102.db2.gz TZKMODRAWNQJNG-UHFFFAOYSA-N 2 1 244.379 1.113 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648048 361538754 /nfs/dbraw/zinc/53/87/54/361538754.db2.gz FUJGJEJVFDBJBB-DYEKYZERSA-N 2 1 235.375 1.830 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]CC1=CCCOC1 ZINC000629647985 361538784 /nfs/dbraw/zinc/53/87/84/361538784.db2.gz NSNHCOLXVRXDHA-GFCCVEGCSA-N 2 1 212.337 1.440 20 0 BDADMP C[N@@H+](CCn1cccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000152473691 201200028 /nfs/dbraw/zinc/20/00/28/201200028.db2.gz IWKXODZHAAUGPJ-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP C[NH+](CCn1cccn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152473691 201200031 /nfs/dbraw/zinc/20/00/31/201200031.db2.gz IWKXODZHAAUGPJ-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP C[NH+](CCn1cccn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152473691 201200034 /nfs/dbraw/zinc/20/00/34/201200034.db2.gz IWKXODZHAAUGPJ-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648567 361540957 /nfs/dbraw/zinc/54/09/57/361540957.db2.gz RBHWPXBGKKKSGC-DGCLKSJQSA-N 2 1 224.348 1.250 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+]CC1(OC)CCCC1 ZINC000629649164 361543478 /nfs/dbraw/zinc/54/34/78/361543478.db2.gz KDOZYAKHJIKMLZ-LLVKDONJSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1ccn(C)c1)CC[NH2+]CC2 ZINC000629650349 361547657 /nfs/dbraw/zinc/54/76/57/361547657.db2.gz SBSQLNGACHTVMZ-CYBMUJFWSA-N 2 1 247.386 1.989 20 0 BDADMP C[C@H]1C[NH+](CC(C)(C)[NH3+])C[C@H](C)C1(F)F ZINC000629650193 361547956 /nfs/dbraw/zinc/54/79/56/361547956.db2.gz QLDARUHHKUWQQU-IUCAKERBSA-N 2 1 220.307 1.947 20 0 BDADMP C1=C(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)COCC1 ZINC000629653455 361553303 /nfs/dbraw/zinc/55/33/03/361553303.db2.gz JBEIEKXEMJCONF-CQSZACIVSA-N 2 1 236.359 1.409 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3=CCCOC3)C[C@H]21 ZINC000629646705 361532542 /nfs/dbraw/zinc/53/25/42/361532542.db2.gz CHBGIHXVFWPJEL-MGPQQGTHSA-N 2 1 236.359 1.392 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629651424 361555802 /nfs/dbraw/zinc/55/58/02/361555802.db2.gz FXCAHQFNJNHWNY-WCQYABFASA-N 2 1 224.348 1.535 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629651424 361555808 /nfs/dbraw/zinc/55/58/08/361555808.db2.gz FXCAHQFNJNHWNY-WCQYABFASA-N 2 1 224.348 1.535 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152867040 201211208 /nfs/dbraw/zinc/21/12/08/201211208.db2.gz QYHWDZUNDSEDRS-UTUOFQBUSA-N 2 1 214.353 1.484 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152867040 201211212 /nfs/dbraw/zinc/21/12/12/201211212.db2.gz QYHWDZUNDSEDRS-UTUOFQBUSA-N 2 1 214.353 1.484 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cccc2c1CCC2 ZINC000629665716 361587524 /nfs/dbraw/zinc/58/75/24/361587524.db2.gz OIRLFQJWSHHOBY-UHFFFAOYSA-N 2 1 248.370 1.582 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCSC1)C2 ZINC000629669853 361589408 /nfs/dbraw/zinc/58/94/08/361589408.db2.gz YHRSPDAFQPYQLX-RWMBFGLXSA-N 2 1 240.416 1.671 20 0 BDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cn[nH]c1 ZINC000448552721 201246440 /nfs/dbraw/zinc/24/64/40/201246440.db2.gz AWQPYNIAZSKQHJ-SECBINFHSA-N 2 1 208.309 1.202 20 0 BDADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C(C)C ZINC000153769907 201247166 /nfs/dbraw/zinc/24/71/66/201247166.db2.gz ZRCAKAROQJYSQP-CYBMUJFWSA-N 2 1 230.396 1.979 20 0 BDADMP COC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000448555564 201261424 /nfs/dbraw/zinc/26/14/24/201261424.db2.gz MQKNAONRSGPCRY-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000448555564 201261426 /nfs/dbraw/zinc/26/14/26/201261426.db2.gz MQKNAONRSGPCRY-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000435877768 201293211 /nfs/dbraw/zinc/29/32/11/201293211.db2.gz UXDHUSAJOQDFDB-CYBMUJFWSA-N 2 1 226.364 1.489 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CCC[NH2+]C)C[C@H]1C ZINC000435878643 201293425 /nfs/dbraw/zinc/29/34/25/201293425.db2.gz DVKJYTYKYXNACJ-OLZOCXBDSA-N 2 1 227.396 1.401 20 0 BDADMP Cc1ccc(F)cc1C[N@@H+](C)CCC[NH3+] ZINC000164144791 361696088 /nfs/dbraw/zinc/69/60/88/361696088.db2.gz GLXYANMEZPTJRS-UHFFFAOYSA-N 2 1 210.296 1.915 20 0 BDADMP CC[N@H+]1C[C@H](NCC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000437107530 201344151 /nfs/dbraw/zinc/34/41/51/201344151.db2.gz PPPWGUYDTXOXFT-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1C[C@H](NCC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000437107530 201344155 /nfs/dbraw/zinc/34/41/55/201344155.db2.gz PPPWGUYDTXOXFT-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000155757954 201351536 /nfs/dbraw/zinc/35/15/36/201351536.db2.gz WSXZCYPCPYIJKV-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000155757954 201351538 /nfs/dbraw/zinc/35/15/38/201351538.db2.gz WSXZCYPCPYIJKV-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000155757954 201351540 /nfs/dbraw/zinc/35/15/40/201351540.db2.gz WSXZCYPCPYIJKV-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCOC2)CC1 ZINC000437593606 201359641 /nfs/dbraw/zinc/35/96/41/201359641.db2.gz USUDTBJZSIGFSA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCOC2)CC1 ZINC000437593606 201359644 /nfs/dbraw/zinc/35/96/44/201359644.db2.gz USUDTBJZSIGFSA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC[C@H]3CCOC3)[C@H]2C1 ZINC000437793075 201374315 /nfs/dbraw/zinc/37/43/15/201374315.db2.gz MUEFYKUZJQGAQT-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CC[C@H]3CCOC3)[C@H]2C1 ZINC000437793075 201374319 /nfs/dbraw/zinc/37/43/19/201374319.db2.gz MUEFYKUZJQGAQT-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CC[C@H]3CCOC3)[C@H]2C1 ZINC000437793075 201374322 /nfs/dbraw/zinc/37/43/22/201374322.db2.gz MUEFYKUZJQGAQT-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC[C@H]3CCOC3)[C@H]2C1 ZINC000437793075 201374324 /nfs/dbraw/zinc/37/43/24/201374324.db2.gz MUEFYKUZJQGAQT-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC000438090054 201388109 /nfs/dbraw/zinc/38/81/09/201388109.db2.gz ACUGZUOHKYGAMX-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000438090054 201388112 /nfs/dbraw/zinc/38/81/12/201388112.db2.gz ACUGZUOHKYGAMX-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438090054 201388114 /nfs/dbraw/zinc/38/81/14/201388114.db2.gz ACUGZUOHKYGAMX-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@@H+]1C ZINC000246967586 541304620 /nfs/dbraw/zinc/30/46/20/541304620.db2.gz IFSAETZKOXPFIQ-IGQOVBAYSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1C ZINC000246967586 541304623 /nfs/dbraw/zinc/30/46/23/541304623.db2.gz IFSAETZKOXPFIQ-IGQOVBAYSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCO1 ZINC000398948512 364202052 /nfs/dbraw/zinc/20/20/52/364202052.db2.gz AUPLNLCSAGTSBA-NOOOWODRSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)[nH+]c(C)c1C ZINC000630525512 364212183 /nfs/dbraw/zinc/21/21/83/364212183.db2.gz HGEDVAJCXXAKDV-NWDGAFQWSA-N 2 1 234.347 1.954 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C[NH2+]1 ZINC000398974871 364400831 /nfs/dbraw/zinc/40/08/31/364400831.db2.gz YINATEPZESDALC-SKDRFNHKSA-N 2 1 208.349 1.905 20 0 BDADMP [NH3+]CC1CCC([NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000333292335 181363731 /nfs/dbraw/zinc/36/37/31/181363731.db2.gz OVGCHMCCHOXFIA-GDKBPFBDSA-N 2 1 248.374 1.894 20 0 BDADMP [NH3+]CC1CCC([NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000333292336 181363763 /nfs/dbraw/zinc/36/37/63/181363763.db2.gz OVGCHMCCHOXFIA-KGPNIALWSA-N 2 1 248.374 1.894 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356774726 366851480 /nfs/dbraw/zinc/85/14/80/366851480.db2.gz DHJIVJFAFABEGE-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2nccnc2Cl)CC1 ZINC000095072733 181365514 /nfs/dbraw/zinc/36/55/14/181365514.db2.gz FLLWBOADPIKOEX-UHFFFAOYSA-N 2 1 240.738 1.301 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000580514360 364777689 /nfs/dbraw/zinc/77/76/89/364777689.db2.gz NPXYLMYZZFUHDW-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000335007728 541419198 /nfs/dbraw/zinc/41/91/98/541419198.db2.gz IQOXLROMUQNURM-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@H]1CCOC1 ZINC000252714936 325692182 /nfs/dbraw/zinc/69/21/82/325692182.db2.gz UCDZBGWVSQTCPX-WCFLWFBJSA-N 2 1 226.364 1.341 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000574069896 364981456 /nfs/dbraw/zinc/98/14/56/364981456.db2.gz AZGBVNOVXQKRQN-KBPBESRZSA-N 3 1 241.423 1.886 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000442928011 193005708 /nfs/dbraw/zinc/00/57/08/193005708.db2.gz PAWYIXSTWLJVJQ-OLZOCXBDSA-N 2 1 225.380 1.047 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000379855686 365320680 /nfs/dbraw/zinc/32/06/80/365320680.db2.gz BYIWUNWEWSNLMF-ZYHUDNBSSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000379855686 365320683 /nfs/dbraw/zinc/32/06/83/365320683.db2.gz BYIWUNWEWSNLMF-ZYHUDNBSSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C1CC1 ZINC000379855686 365320686 /nfs/dbraw/zinc/32/06/86/365320686.db2.gz BYIWUNWEWSNLMF-ZYHUDNBSSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000379855686 365320691 /nfs/dbraw/zinc/32/06/91/365320691.db2.gz BYIWUNWEWSNLMF-ZYHUDNBSSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@@H]([NH2+]CCOCC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000579580619 366887164 /nfs/dbraw/zinc/88/71/64/366887164.db2.gz KKBJLOYFALGNKP-YPMHNXCESA-N 2 1 226.364 1.533 20 0 BDADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000579701763 366984305 /nfs/dbraw/zinc/98/43/05/366984305.db2.gz IABVCNKJDUGHBA-NSHDSACASA-N 2 1 230.315 1.057 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)C(C)C ZINC000579854939 367053035 /nfs/dbraw/zinc/05/30/35/367053035.db2.gz PRZKVBOQWHGCMA-CHWSQXEVSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)C(C)C ZINC000579854939 367053038 /nfs/dbraw/zinc/05/30/38/367053038.db2.gz PRZKVBOQWHGCMA-CHWSQXEVSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H](C)C(C)C ZINC000579854939 367053041 /nfs/dbraw/zinc/05/30/41/367053041.db2.gz PRZKVBOQWHGCMA-CHWSQXEVSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H](C)C(C)C ZINC000579854939 367053047 /nfs/dbraw/zinc/05/30/47/367053047.db2.gz PRZKVBOQWHGCMA-CHWSQXEVSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)C(C)C ZINC000579854941 367053227 /nfs/dbraw/zinc/05/32/27/367053227.db2.gz PRZKVBOQWHGCMA-QWHCGFSZSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)C(C)C ZINC000579854941 367053230 /nfs/dbraw/zinc/05/32/30/367053230.db2.gz PRZKVBOQWHGCMA-QWHCGFSZSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H](C)C(C)C ZINC000579854941 367053235 /nfs/dbraw/zinc/05/32/35/367053235.db2.gz PRZKVBOQWHGCMA-QWHCGFSZSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H](C)C(C)C ZINC000579854941 367053239 /nfs/dbraw/zinc/05/32/39/367053239.db2.gz PRZKVBOQWHGCMA-QWHCGFSZSA-N 2 1 230.396 1.665 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000580963194 367220800 /nfs/dbraw/zinc/22/08/00/367220800.db2.gz OXYGDDSFEHQXJP-STQMWFEESA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1OCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000380534397 367231518 /nfs/dbraw/zinc/23/15/18/367231518.db2.gz MXDOHBTWURBMOE-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000381028061 367337127 /nfs/dbraw/zinc/33/71/27/367337127.db2.gz YSOZUTUSNXUHOY-RYUDHWBXSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000381028061 367337131 /nfs/dbraw/zinc/33/71/31/367337131.db2.gz YSOZUTUSNXUHOY-RYUDHWBXSA-N 2 1 226.364 1.220 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H]2OCC)CC1 ZINC000381336796 367382253 /nfs/dbraw/zinc/38/22/53/367382253.db2.gz WADUHPIODOAILE-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000381460773 367408646 /nfs/dbraw/zinc/40/86/46/367408646.db2.gz KZFUYTQOLTXLAL-CMPLNLGQSA-N 2 1 221.348 1.987 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000381460774 367409503 /nfs/dbraw/zinc/40/95/03/367409503.db2.gz KZFUYTQOLTXLAL-JQWIXIFHSA-N 2 1 221.348 1.987 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000195558596 367369072 /nfs/dbraw/zinc/36/90/72/367369072.db2.gz JAJJHFKDIIARNX-HTOAHKCRSA-N 2 1 238.375 1.242 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCCC1CC1)C1CC1 ZINC000381249308 367370374 /nfs/dbraw/zinc/37/03/74/367370374.db2.gz NYDNVPGYGBMXGR-ZDUSSCGKSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCC1CC1)C1CC1 ZINC000381249308 367370381 /nfs/dbraw/zinc/37/03/81/367370381.db2.gz NYDNVPGYGBMXGR-ZDUSSCGKSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000381552296 367429566 /nfs/dbraw/zinc/42/95/66/367429566.db2.gz NFVYCKYHUCOVHA-NTZNESFSSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000381552296 367429572 /nfs/dbraw/zinc/42/95/72/367429572.db2.gz NFVYCKYHUCOVHA-NTZNESFSSA-N 2 1 225.380 1.009 20 0 BDADMP Oc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000382602017 367548754 /nfs/dbraw/zinc/54/87/54/367548754.db2.gz SLIQRNSCSMWZDC-UHFFFAOYSA-N 2 1 220.316 1.624 20 0 BDADMP C[C@H](C[NH3+])[N@H+](C)CCCOc1ccc(F)cc1 ZINC000382970194 367576472 /nfs/dbraw/zinc/57/64/72/367576472.db2.gz AZPWTNMHBAJLHO-LLVKDONJSA-N 2 1 240.322 1.874 20 0 BDADMP C[C@H](C[NH3+])[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000382970194 367576477 /nfs/dbraw/zinc/57/64/77/367576477.db2.gz AZPWTNMHBAJLHO-LLVKDONJSA-N 2 1 240.322 1.874 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000383497105 367629251 /nfs/dbraw/zinc/62/92/51/367629251.db2.gz DJGNJBXVVACBBG-GXTWGEPZSA-N 2 1 238.375 1.387 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000383497105 367629254 /nfs/dbraw/zinc/62/92/54/367629254.db2.gz DJGNJBXVVACBBG-GXTWGEPZSA-N 2 1 238.375 1.387 20 0 BDADMP C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383613678 367644981 /nfs/dbraw/zinc/64/49/81/367644981.db2.gz TVXPOSGGZDYREU-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383613678 367644988 /nfs/dbraw/zinc/64/49/88/367644988.db2.gz TVXPOSGGZDYREU-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH+](C)CC1 ZINC000399134457 367646274 /nfs/dbraw/zinc/64/62/74/367646274.db2.gz PTEXZKSQKCBLTE-DYEKYZERSA-N 3 1 239.407 1.447 20 0 BDADMP CC[C@H]1[C@H](C)CC[N@H+]1CCOCC[NH3+] ZINC000384048548 367669649 /nfs/dbraw/zinc/66/96/49/367669649.db2.gz RTCBXWCUYYTDLR-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C[NH2+]1 ZINC000399152279 367691282 /nfs/dbraw/zinc/69/12/82/367691282.db2.gz ZVWOGCUZURZPMS-RISCZKNCSA-N 2 1 230.355 1.884 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSCC[C@@H]1C ZINC000385409387 367826369 /nfs/dbraw/zinc/82/63/69/367826369.db2.gz SWXFYMYJPRANSO-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSCC[C@@H]1C ZINC000385409387 367826375 /nfs/dbraw/zinc/82/63/75/367826375.db2.gz SWXFYMYJPRANSO-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cn[nH]c1 ZINC000581860471 367848486 /nfs/dbraw/zinc/84/84/86/367848486.db2.gz PYGBTMOWGWBCHU-YPMHNXCESA-N 2 1 236.363 1.935 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cn[nH]c1 ZINC000581860471 367848491 /nfs/dbraw/zinc/84/84/91/367848491.db2.gz PYGBTMOWGWBCHU-YPMHNXCESA-N 2 1 236.363 1.935 20 0 BDADMP C[C@@H]([NH2+]CCc1ccn(C)n1)[C@H]1CCCC[NH2+]1 ZINC000386066352 367908628 /nfs/dbraw/zinc/90/86/28/367908628.db2.gz YMOWEYIYSVJPSJ-DGCLKSJQSA-N 2 1 236.363 1.083 20 0 BDADMP C[C@H]([NH2+]CC1(O)CCC1)[C@H]1CCCC[NH2+]1 ZINC000385987451 367893099 /nfs/dbraw/zinc/89/30/99/367893099.db2.gz DPACHEKLJPULSJ-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)[C@H]1CCCC[NH2+]1 ZINC000386534590 367987091 /nfs/dbraw/zinc/98/70/91/367987091.db2.gz BJDLEOVGCXKUHN-NNYUYHANSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[NH2+]1 ZINC000386430092 367969638 /nfs/dbraw/zinc/96/96/38/367969638.db2.gz LFZCXGQSDWFIDM-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP Cc1cc(CNC[C@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000089183519 368938816 /nfs/dbraw/zinc/93/88/16/368938816.db2.gz HYCOHVFTEFDLTH-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000089183519 368938828 /nfs/dbraw/zinc/93/88/28/368938828.db2.gz HYCOHVFTEFDLTH-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP CC[C@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000567345705 326169189 /nfs/dbraw/zinc/16/91/89/326169189.db2.gz QSLRIZPQJDKLDW-PWSUYJOCSA-N 2 1 225.336 1.188 20 0 BDADMP COC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656965 368997411 /nfs/dbraw/zinc/99/74/11/368997411.db2.gz GZCQFSISQPKPLW-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830133 369007260 /nfs/dbraw/zinc/00/72/60/369007260.db2.gz KUCAIUNIYUAUTO-XDQVBPFNSA-N 2 1 238.375 1.343 20 0 BDADMP Nc1cccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000631835763 369048539 /nfs/dbraw/zinc/04/85/39/369048539.db2.gz XDYRQBCDVMBTTL-AWEZNQCLSA-N 2 1 233.359 1.972 20 0 BDADMP Nc1cccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000631835763 369048541 /nfs/dbraw/zinc/04/85/41/369048541.db2.gz XDYRQBCDVMBTTL-AWEZNQCLSA-N 2 1 233.359 1.972 20 0 BDADMP C(=C/c1ccccc1)\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107579117 369353673 /nfs/dbraw/zinc/35/36/73/369353673.db2.gz BVOPXUCMTLNRSJ-OYROCLPXSA-N 2 1 228.339 1.851 20 0 BDADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000459557020 203301149 /nfs/dbraw/zinc/30/11/49/203301149.db2.gz KVBFRPZECWPISF-LBPRGKRZSA-N 2 1 238.375 1.221 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404397471 369427968 /nfs/dbraw/zinc/42/79/68/369427968.db2.gz PKUFRTQSBVFXPM-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H](Cc1[nH]cc[nH+]1)OCC[C@@H]1CC[NH2+]C1 ZINC000567810840 326261049 /nfs/dbraw/zinc/26/10/49/326261049.db2.gz JJYKOFHTHBWDSJ-QWRGUYRKSA-N 2 1 223.320 1.357 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOCC2)C1 ZINC000459725012 203341894 /nfs/dbraw/zinc/34/18/94/203341894.db2.gz AWJXLIWBAVECNP-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP Cn1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459733575 203343928 /nfs/dbraw/zinc/34/39/28/203343928.db2.gz NWOFNMATPGDHIE-ZDUSSCGKSA-N 2 1 235.375 1.847 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc[nH]c2)C1 ZINC000459732817 203345935 /nfs/dbraw/zinc/34/59/35/203345935.db2.gz NBFATLXYFBUYHI-GFCCVEGCSA-N 2 1 221.348 1.836 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000459736636 203347866 /nfs/dbraw/zinc/34/78/66/203347866.db2.gz QCSREBZNIGJZRA-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@H](C)C1CC1 ZINC000165256927 203383755 /nfs/dbraw/zinc/38/37/55/203383755.db2.gz YOTYDCZAOANAEF-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C1CC1 ZINC000165256927 203383758 /nfs/dbraw/zinc/38/37/58/203383758.db2.gz YOTYDCZAOANAEF-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000459794888 203370617 /nfs/dbraw/zinc/37/06/17/203370617.db2.gz UVRQVLFAZZZKNE-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1OCC[C@@]1(C)[NH2+]CCCc1c[nH+]cn1C ZINC000314172698 326294062 /nfs/dbraw/zinc/29/40/62/326294062.db2.gz OYWRIYCOPPNJTK-DGCLKSJQSA-N 2 1 237.347 1.510 20 0 BDADMP CSCC[C@@H](C)[N@@H+](C)C[C@H]1CNCCO1 ZINC000253080254 370147546 /nfs/dbraw/zinc/14/75/46/370147546.db2.gz VHVWSPREWZSXEJ-GHMZBOCLSA-N 2 1 232.393 1.048 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000621774419 370519696 /nfs/dbraw/zinc/51/96/96/370519696.db2.gz SVERGSYBRVRYMZ-YPMHNXCESA-N 2 1 236.363 1.115 20 0 BDADMP Nc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621784084 370536271 /nfs/dbraw/zinc/53/62/71/370536271.db2.gz JPEOAKBGDDGVAP-GXTWGEPZSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621784084 370536276 /nfs/dbraw/zinc/53/62/76/370536276.db2.gz JPEOAKBGDDGVAP-GXTWGEPZSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621784085 370536459 /nfs/dbraw/zinc/53/64/59/370536459.db2.gz JPEOAKBGDDGVAP-JSGCOSHPSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621784085 370536460 /nfs/dbraw/zinc/53/64/60/370536460.db2.gz JPEOAKBGDDGVAP-JSGCOSHPSA-N 2 1 231.343 1.582 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000621774668 370521398 /nfs/dbraw/zinc/52/13/98/370521398.db2.gz ZWJULQJOVJFNLR-YPMHNXCESA-N 2 1 236.363 1.115 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000621775726 370523004 /nfs/dbraw/zinc/52/30/04/370523004.db2.gz XNKTVWBKUAYEQH-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000621775726 370523006 /nfs/dbraw/zinc/52/30/06/370523006.db2.gz XNKTVWBKUAYEQH-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP CCn1nccc1CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000621776743 370526137 /nfs/dbraw/zinc/52/61/37/370526137.db2.gz VCGABAKZYOWMOG-LBPRGKRZSA-N 2 1 238.379 1.409 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781413 370530414 /nfs/dbraw/zinc/53/04/14/370530414.db2.gz DQOVXESFPVHOOA-KGLIPLIRSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781413 370530419 /nfs/dbraw/zinc/53/04/19/370530419.db2.gz DQOVXESFPVHOOA-KGLIPLIRSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781413 370530427 /nfs/dbraw/zinc/53/04/27/370530427.db2.gz DQOVXESFPVHOOA-KGLIPLIRSA-N 2 1 237.391 1.189 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)cc1F ZINC000569107743 326390564 /nfs/dbraw/zinc/39/05/64/326390564.db2.gz DHOGYGWTNYZQOS-JTQLQIEISA-N 2 1 240.322 1.779 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccn1 ZINC000391311138 371282950 /nfs/dbraw/zinc/28/29/50/371282950.db2.gz IYZRWHYCDPJVPR-GXFFZTMASA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccn1 ZINC000391311138 371282956 /nfs/dbraw/zinc/28/29/56/371282956.db2.gz IYZRWHYCDPJVPR-GXFFZTMASA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccn1 ZINC000391200579 371277436 /nfs/dbraw/zinc/27/74/36/371277436.db2.gz CEEYSGYMGPUADT-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccn1 ZINC000391200579 371277439 /nfs/dbraw/zinc/27/74/39/371277439.db2.gz CEEYSGYMGPUADT-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624121029 371321678 /nfs/dbraw/zinc/32/16/78/371321678.db2.gz MCFQJCHQSUYFLK-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000624122409 371322801 /nfs/dbraw/zinc/32/28/01/371322801.db2.gz QQXBFASUGHHXRZ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122901 371324845 /nfs/dbraw/zinc/32/48/45/371324845.db2.gz AVLLPKVRGDJPOX-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP C/C=C\C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624199112 371389128 /nfs/dbraw/zinc/38/91/28/371389128.db2.gz GZIFMKLDYAKZIU-ZRMMWKCHSA-N 2 1 224.348 1.405 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000624218830 371406999 /nfs/dbraw/zinc/40/69/99/371406999.db2.gz CKMKAZWPJCMZFG-NDBYEHHHSA-N 2 1 226.364 1.077 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000624268882 371451730 /nfs/dbraw/zinc/45/17/30/371451730.db2.gz JOZOLLDQHBAEDZ-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000624268882 371451736 /nfs/dbraw/zinc/45/17/36/371451736.db2.gz JOZOLLDQHBAEDZ-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000624268882 371451740 /nfs/dbraw/zinc/45/17/40/371451740.db2.gz JOZOLLDQHBAEDZ-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000624309600 371471851 /nfs/dbraw/zinc/47/18/51/371471851.db2.gz RSMXPCCUVOPGBK-IGQOVBAYSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631823867 372602006 /nfs/dbraw/zinc/60/20/06/372602006.db2.gz PMOQNGJMNMKDAO-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCCCO1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820779 372593401 /nfs/dbraw/zinc/59/34/01/372593401.db2.gz FWMSZRLIXCGLQU-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631821373 372594997 /nfs/dbraw/zinc/59/49/97/372594997.db2.gz WJROGGZVZZHCAB-AVGNSLFASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000631822041 372597114 /nfs/dbraw/zinc/59/71/14/372597114.db2.gz RCKGMUIHXMMRKK-QWRGUYRKSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000631823366 372600064 /nfs/dbraw/zinc/60/00/64/372600064.db2.gz CKJNWRULJVDYQC-ZUWCUPBKSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829636 372611207 /nfs/dbraw/zinc/61/12/07/372611207.db2.gz WNSIVSKVZWOFPN-CRWXNKLISA-N 2 1 238.375 1.472 20 0 BDADMP Cn1cc(CC[N@@H+]2CCCCC[C@@H]([NH3+])C2)cn1 ZINC000631833493 372618810 /nfs/dbraw/zinc/61/88/10/372618810.db2.gz BLAFIZUPVCDLTL-CYBMUJFWSA-N 2 1 236.363 1.166 20 0 BDADMP Cn1cc(CC[N@H+]2CCCCC[C@@H]([NH3+])C2)cn1 ZINC000631833493 372618815 /nfs/dbraw/zinc/61/88/15/372618815.db2.gz BLAFIZUPVCDLTL-CYBMUJFWSA-N 2 1 236.363 1.166 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000631838428 372630780 /nfs/dbraw/zinc/63/07/80/372630780.db2.gz OAIUVJNHVBPYEO-WCBMZHEXSA-N 2 1 225.361 1.478 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838220 372631246 /nfs/dbraw/zinc/63/12/46/372631246.db2.gz KRGHAQDZBMARHX-OUAUKWLOSA-N 2 1 220.320 1.064 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838220 372631250 /nfs/dbraw/zinc/63/12/50/372631250.db2.gz KRGHAQDZBMARHX-OUAUKWLOSA-N 2 1 220.320 1.064 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C[NH3+] ZINC000631838482 372631982 /nfs/dbraw/zinc/63/19/82/372631982.db2.gz PFPMQWALAUBUAM-GHMZBOCLSA-N 2 1 202.317 1.653 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631838635 372633863 /nfs/dbraw/zinc/63/38/63/372633863.db2.gz RXFUTSRGOYQZLY-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000631825293 372604355 /nfs/dbraw/zinc/60/43/55/372604355.db2.gz DXZDDGYUMBIBEZ-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP FC(F)[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000631866180 372666955 /nfs/dbraw/zinc/66/69/55/372666955.db2.gz UWQPDUWVMNFGTL-QWRGUYRKSA-N 2 1 248.317 1.342 20 0 BDADMP CO[C@H](C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)C1CCC1 ZINC000631866990 372668331 /nfs/dbraw/zinc/66/83/31/372668331.db2.gz FYDHAPJDDNURPN-MCIONIFRSA-N 2 1 238.375 1.533 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888314 372682130 /nfs/dbraw/zinc/68/21/30/372682130.db2.gz UZULZNPVMFFOGI-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP COCCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888314 372682136 /nfs/dbraw/zinc/68/21/36/372682136.db2.gz UZULZNPVMFFOGI-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887271 372682175 /nfs/dbraw/zinc/68/21/75/372682175.db2.gz PQJOQTVNIPVNKE-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889593 372684143 /nfs/dbraw/zinc/68/41/43/372684143.db2.gz IAJHASGRQBHRHL-LPWJVIDDSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889593 372684149 /nfs/dbraw/zinc/68/41/49/372684149.db2.gz IAJHASGRQBHRHL-LPWJVIDDSA-N 2 1 208.349 1.716 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H]2CN)cc1 ZINC000039068430 372860053 /nfs/dbraw/zinc/86/00/53/372860053.db2.gz GFWPKIGVTOKZON-ZDUSSCGKSA-N 2 1 204.317 1.918 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCOCC2)CCN1C ZINC000172845316 373092668 /nfs/dbraw/zinc/09/26/68/373092668.db2.gz SRBFDNSUFICKBM-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CC2CCOCC2)CC[N@@H+]1C ZINC000172845316 373092671 /nfs/dbraw/zinc/09/26/71/373092671.db2.gz SRBFDNSUFICKBM-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CC2CCOCC2)CC[N@H+]1C ZINC000172845316 373092673 /nfs/dbraw/zinc/09/26/73/373092673.db2.gz SRBFDNSUFICKBM-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCOCC2)CC[NH+]1C ZINC000172845316 373092676 /nfs/dbraw/zinc/09/26/76/373092676.db2.gz SRBFDNSUFICKBM-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCOCC2)CC[NH+]1C ZINC000172845316 373092679 /nfs/dbraw/zinc/09/26/79/373092679.db2.gz SRBFDNSUFICKBM-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP CSCC[NH+]1CCC([NH+](C)C)CC1 ZINC000193818626 205701247 /nfs/dbraw/zinc/70/12/47/205701247.db2.gz XUDQNAPXDRKCLP-UHFFFAOYSA-N 2 1 202.367 1.375 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC12CC2 ZINC000424328847 206037655 /nfs/dbraw/zinc/03/76/55/206037655.db2.gz RACFKRABAYWVRL-KKOKHZNYSA-N 2 1 208.349 1.857 20 0 BDADMP CC(C)(C)C[N@@H+](CCCO)CC1CC[NH2+]CC1 ZINC000178972472 134314088 /nfs/dbraw/zinc/31/40/88/134314088.db2.gz ZBCYZAUTZDPLJO-UHFFFAOYSA-N 2 1 242.407 1.717 20 0 BDADMP CCOCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336681891 170374971 /nfs/dbraw/zinc/37/49/71/170374971.db2.gz RVBOSZYWRAPZQA-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336681891 170374973 /nfs/dbraw/zinc/37/49/73/170374973.db2.gz RVBOSZYWRAPZQA-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336658812 170375354 /nfs/dbraw/zinc/37/53/54/170375354.db2.gz BFXSTWXBGJIGIW-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CCOCCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000336769176 170382184 /nfs/dbraw/zinc/38/21/84/170382184.db2.gz VINUGJQDBSSFKU-NSHDSACASA-N 2 1 200.326 1.130 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178972818 134314324 /nfs/dbraw/zinc/31/43/24/134314324.db2.gz GYZOKNVCVRMAQA-CQSZACIVSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356792030 169073476 /nfs/dbraw/zinc/07/34/76/169073476.db2.gz VWQGGAKKASEBHF-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360621797 169086733 /nfs/dbraw/zinc/08/67/33/169086733.db2.gz RDTVIDSUUHNCMW-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000226407717 169120878 /nfs/dbraw/zinc/12/08/78/169120878.db2.gz CMYCJHVSJLNNTL-RYUDHWBXSA-N 2 1 243.395 1.208 20 0 BDADMP CCC[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336667948 169125495 /nfs/dbraw/zinc/12/54/95/169125495.db2.gz DXMAAIPTMBFASI-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336667948 169125496 /nfs/dbraw/zinc/12/54/96/169125496.db2.gz DXMAAIPTMBFASI-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336667948 169125498 /nfs/dbraw/zinc/12/54/98/169125498.db2.gz DXMAAIPTMBFASI-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336667948 169125499 /nfs/dbraw/zinc/12/54/99/169125499.db2.gz DXMAAIPTMBFASI-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[N@@H+](CC)C[C@H](O)CN(C)C1CC1 ZINC000336667946 169130486 /nfs/dbraw/zinc/13/04/86/169130486.db2.gz DXMAAIPTMBFASI-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336667946 169130488 /nfs/dbraw/zinc/13/04/88/169130488.db2.gz DXMAAIPTMBFASI-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336667946 169130490 /nfs/dbraw/zinc/13/04/90/169130490.db2.gz DXMAAIPTMBFASI-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336667946 169130493 /nfs/dbraw/zinc/13/04/93/169130493.db2.gz DXMAAIPTMBFASI-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336667946 169130495 /nfs/dbraw/zinc/13/04/95/169130495.db2.gz DXMAAIPTMBFASI-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[N@@H+](CCN1CC[NH2+]CC1)CC1CC1 ZINC000042317849 169159714 /nfs/dbraw/zinc/15/97/14/169159714.db2.gz TZQSPYBPONJJRF-UHFFFAOYSA-N 2 1 225.380 1.014 20 0 BDADMP CCC[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC000037653866 169169333 /nfs/dbraw/zinc/16/93/33/169169333.db2.gz UBJLSTZPRDLKIF-UHFFFAOYSA-N 2 1 200.326 1.097 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000336285707 183328209 /nfs/dbraw/zinc/32/82/09/183328209.db2.gz WSJNSFGDJPHRRV-GFCCVEGCSA-N 2 1 234.347 1.546 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(C)COC1 ZINC000309917761 169200806 /nfs/dbraw/zinc/20/08/06/169200806.db2.gz QJEHOSOPPDADKV-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1(C)COC1 ZINC000309917761 169200808 /nfs/dbraw/zinc/20/08/08/169200808.db2.gz QJEHOSOPPDADKV-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000250197610 183337582 /nfs/dbraw/zinc/33/75/82/183337582.db2.gz ZBIOELPCFAJBEO-GJZGRUSLSA-N 2 1 245.370 1.841 20 0 BDADMP c1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c[nH]1 ZINC000360790078 183348324 /nfs/dbraw/zinc/34/83/24/183348324.db2.gz AJHPPZFWZDHEKT-KFWWJZLASA-N 2 1 245.370 1.931 20 0 BDADMP c1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c[nH]1 ZINC000360790078 183348327 /nfs/dbraw/zinc/34/83/27/183348327.db2.gz AJHPPZFWZDHEKT-KFWWJZLASA-N 2 1 245.370 1.931 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c[nH]1 ZINC000360790078 183348329 /nfs/dbraw/zinc/34/83/29/183348329.db2.gz AJHPPZFWZDHEKT-KFWWJZLASA-N 2 1 245.370 1.931 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c[nH]1 ZINC000360790078 183348331 /nfs/dbraw/zinc/34/83/31/183348331.db2.gz AJHPPZFWZDHEKT-KFWWJZLASA-N 2 1 245.370 1.931 20 0 BDADMP c1cc2c(c(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c1)NCC2 ZINC000359457370 183365534 /nfs/dbraw/zinc/36/55/34/183365534.db2.gz NBPFWVMZORYGFI-OKILXGFUSA-N 2 1 243.354 1.306 20 0 BDADMP c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000250248401 183395089 /nfs/dbraw/zinc/39/50/89/183395089.db2.gz NHUGJRHRYWUHQN-CABCVRRESA-N 2 1 245.370 1.841 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000236945529 169389703 /nfs/dbraw/zinc/38/97/03/169389703.db2.gz AXOMRLMSFKEHPZ-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCSC1 ZINC000224379486 134346420 /nfs/dbraw/zinc/34/64/20/134346420.db2.gz JBZZXYQOZYHBCX-RYUDHWBXSA-N 2 1 240.416 1.813 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000224375024 134346452 /nfs/dbraw/zinc/34/64/52/134346452.db2.gz JZLDMBDUKQMWSO-PQAZSJQKSA-N 2 1 238.375 1.770 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000224375024 134346453 /nfs/dbraw/zinc/34/64/53/134346453.db2.gz JZLDMBDUKQMWSO-PQAZSJQKSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000224520569 134348658 /nfs/dbraw/zinc/34/86/58/134348658.db2.gz VECCXYDCQDUMBV-NWDGAFQWSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[N@@H+](C)CCCNC1CC[NH+](C)CC1 ZINC000226312784 134360470 /nfs/dbraw/zinc/36/04/70/134360470.db2.gz DAKUZIHCRRSKAM-UHFFFAOYSA-N 2 1 227.396 1.401 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]C1CCN(C)CC1 ZINC000226312784 134360471 /nfs/dbraw/zinc/36/04/71/134360471.db2.gz DAKUZIHCRRSKAM-UHFFFAOYSA-N 2 1 227.396 1.401 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(C)CC1 ZINC000226312784 134360472 /nfs/dbraw/zinc/36/04/72/134360472.db2.gz DAKUZIHCRRSKAM-UHFFFAOYSA-N 2 1 227.396 1.401 20 0 BDADMP COc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)ccn1 ZINC000558182744 383826991 /nfs/dbraw/zinc/82/69/91/383826991.db2.gz WCVKUGKYMYARKF-LLVKDONJSA-N 2 1 237.347 1.693 20 0 BDADMP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000400177320 383825340 /nfs/dbraw/zinc/82/53/40/383825340.db2.gz PRDQSMFVPOPECY-OCCSQVGLSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@@H+](Cc1ccncc1)C[C@H]1CCC[NH2+]C1 ZINC000036776472 383911110 /nfs/dbraw/zinc/91/11/10/383911110.db2.gz NNRXMLHVZNPTBM-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+](Cc1ccncc1)C[C@H]1CCC[NH2+]C1 ZINC000036776472 383911116 /nfs/dbraw/zinc/91/11/16/383911116.db2.gz NNRXMLHVZNPTBM-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP CO[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000400229015 383927110 /nfs/dbraw/zinc/92/71/10/383927110.db2.gz QULBIOYJTOIEIY-CYBMUJFWSA-N 2 1 224.348 1.263 20 0 BDADMP CC[N@@H+](CCNCc1ncc[nH]1)C(C)C ZINC000067696742 384017599 /nfs/dbraw/zinc/01/75/99/384017599.db2.gz QGHLIAIPZOSPLJ-UHFFFAOYSA-N 2 1 210.325 1.230 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000307243036 384012832 /nfs/dbraw/zinc/01/28/32/384012832.db2.gz JBNYOYGGGFPKPS-ZIAGYGMSSA-N 2 1 234.343 1.482 20 0 BDADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305123180 384014902 /nfs/dbraw/zinc/01/49/02/384014902.db2.gz KGHWGXXFLOSPLK-XDQVBPFNSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227843525 134391254 /nfs/dbraw/zinc/39/12/54/134391254.db2.gz LJIKXHQFXQLEJM-YFKTTZPYSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227843525 134391255 /nfs/dbraw/zinc/39/12/55/134391255.db2.gz LJIKXHQFXQLEJM-YFKTTZPYSA-N 2 1 212.337 1.236 20 0 BDADMP CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC000116396727 384123939 /nfs/dbraw/zinc/12/39/39/384123939.db2.gz UYFUTWBBXRCUBH-QWRGUYRKSA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC000116396734 384124955 /nfs/dbraw/zinc/12/49/55/384124955.db2.gz UYFUTWBBXRCUBH-WDEREUQCSA-N 2 1 243.395 1.206 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1C ZINC000302286611 384131747 /nfs/dbraw/zinc/13/17/47/384131747.db2.gz CGDHRMTWXLHZMZ-UHFFFAOYSA-N 2 1 236.359 1.711 20 0 BDADMP CCOC[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000313250735 384153663 /nfs/dbraw/zinc/15/36/63/384153663.db2.gz SWKHRQJCLCCVFD-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H](C[N@@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000050228052 384169154 /nfs/dbraw/zinc/16/91/54/384169154.db2.gz UJVBWLZXYOCYMM-AAEUAGOBSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H](C[N@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000050228052 384169157 /nfs/dbraw/zinc/16/91/57/384169157.db2.gz UJVBWLZXYOCYMM-AAEUAGOBSA-N 2 1 204.317 1.823 20 0 BDADMP CCOC[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000313265894 384183853 /nfs/dbraw/zinc/18/38/53/384183853.db2.gz MXQYDALODUCJEV-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000401874189 384186708 /nfs/dbraw/zinc/18/67/08/384186708.db2.gz MJQOTGKXNKWGEW-NSHDSACASA-N 2 1 237.347 1.510 20 0 BDADMP Cc1csc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000400324341 384186826 /nfs/dbraw/zinc/18/68/26/384186826.db2.gz CWYMFWPEFXNCRG-GHMZBOCLSA-N 2 1 239.388 1.724 20 0 BDADMP C[N@H+](Cc1ccccn1)CC(C)(C)C[NH3+] ZINC000051217431 384230643 /nfs/dbraw/zinc/23/06/43/384230643.db2.gz LACPGXFPZYPUIB-UHFFFAOYSA-N 2 1 207.321 1.498 20 0 BDADMP C[N@@H+](Cc1ccccn1)CC(C)(C)C[NH3+] ZINC000051217431 384230646 /nfs/dbraw/zinc/23/06/46/384230646.db2.gz LACPGXFPZYPUIB-UHFFFAOYSA-N 2 1 207.321 1.498 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3cccnc3)C[C@H]21 ZINC000228472017 384257395 /nfs/dbraw/zinc/25/73/95/384257395.db2.gz ZEBXEIIFILXLPY-RRFJBIMHSA-N 2 1 245.370 1.683 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000558726695 384263946 /nfs/dbraw/zinc/26/39/46/384263946.db2.gz GAPUTSJMFHFVNH-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000558726694 384264618 /nfs/dbraw/zinc/26/46/18/384264618.db2.gz GAPUTSJMFHFVNH-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCSC1 ZINC000228551611 384276083 /nfs/dbraw/zinc/27/60/83/384276083.db2.gz IMRRBEIAVBPZLD-WOPDTQHZSA-N 2 1 244.404 1.096 20 0 BDADMP C[C@H](CCCCO)[NH2+]C1CC[NH+](C)CC1 ZINC000308834466 384337400 /nfs/dbraw/zinc/33/74/00/384337400.db2.gz HOBOEJITUFAPLR-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000168928640 384353668 /nfs/dbraw/zinc/35/36/68/384353668.db2.gz JKKPCTSJCNICJL-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CO1 ZINC000401976235 384358220 /nfs/dbraw/zinc/35/82/20/384358220.db2.gz UXRQAAMPWVRXCX-IUKMKKQMSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401976235 384358224 /nfs/dbraw/zinc/35/82/24/384358224.db2.gz UXRQAAMPWVRXCX-IUKMKKQMSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CO1 ZINC000401976237 384358377 /nfs/dbraw/zinc/35/83/77/384358377.db2.gz UXRQAAMPWVRXCX-RFLLOBDJSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401976237 384358383 /nfs/dbraw/zinc/35/83/83/384358383.db2.gz UXRQAAMPWVRXCX-RFLLOBDJSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@H+](CCc1ccccc1)CC(C)(C)[NH3+] ZINC000083852842 384332734 /nfs/dbraw/zinc/33/27/34/384332734.db2.gz OBJMTQLJUNDHHB-UHFFFAOYSA-N 2 1 206.333 1.898 20 0 BDADMP C[N@@H+](CCc1ccccc1)CC(C)(C)[NH3+] ZINC000083852842 384332740 /nfs/dbraw/zinc/33/27/40/384332740.db2.gz OBJMTQLJUNDHHB-UHFFFAOYSA-N 2 1 206.333 1.898 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000035732832 384422776 /nfs/dbraw/zinc/42/27/76/384422776.db2.gz BZTNFIYBOXWHDS-NSNUZPRRSA-N 2 1 208.349 2.000 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000084216415 384376694 /nfs/dbraw/zinc/37/66/94/384376694.db2.gz ROUSAOOXFRIRJD-VHSXEESVSA-N 2 1 225.361 1.750 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084215634 384377720 /nfs/dbraw/zinc/37/77/20/384377720.db2.gz QGEXMVZPGGJRAZ-NEPJUHHUSA-N 3 1 213.369 1.045 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccoc1 ZINC000566087702 384388535 /nfs/dbraw/zinc/38/85/35/384388535.db2.gz BUFWIOKYZFOCNB-MNOVXSKESA-N 2 1 208.305 1.930 20 0 BDADMP CC[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000566105912 384451969 /nfs/dbraw/zinc/45/19/69/384451969.db2.gz AWRUXZJIHSGQCN-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000647175052 384471456 /nfs/dbraw/zinc/47/14/56/384471456.db2.gz VULXZARSXZTNAU-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP COCC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000556762276 384474760 /nfs/dbraw/zinc/47/47/60/384474760.db2.gz XIWMEJBNDUXYCY-GFCCVEGCSA-N 2 1 239.363 1.938 20 0 BDADMP COCC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000556762276 384474763 /nfs/dbraw/zinc/47/47/63/384474763.db2.gz XIWMEJBNDUXYCY-GFCCVEGCSA-N 2 1 239.363 1.938 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224622865 384480746 /nfs/dbraw/zinc/48/07/46/384480746.db2.gz GCSPEAWARRXHAX-DCAQKATOSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000449241320 384499036 /nfs/dbraw/zinc/49/90/36/384499036.db2.gz ARDXRQZMXDPLTG-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000449241320 384499039 /nfs/dbraw/zinc/49/90/39/384499039.db2.gz ARDXRQZMXDPLTG-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000565593653 384487532 /nfs/dbraw/zinc/48/75/32/384487532.db2.gz JUUJXEJQHSKVIN-MJBXVCDLSA-N 2 1 242.407 1.715 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146316 384541902 /nfs/dbraw/zinc/54/19/02/384541902.db2.gz BQQRLVDZLLNOBY-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000397398275 384551636 /nfs/dbraw/zinc/55/16/36/384551636.db2.gz QCCGCCMZOSSHIC-GMTAPVOTSA-N 2 1 239.388 1.948 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000397398275 384551645 /nfs/dbraw/zinc/55/16/45/384551645.db2.gz QCCGCCMZOSSHIC-GMTAPVOTSA-N 2 1 239.388 1.948 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000162430424 384556190 /nfs/dbraw/zinc/55/61/90/384556190.db2.gz TZPLNBZKGADAKJ-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000162430424 384556195 /nfs/dbraw/zinc/55/61/95/384556195.db2.gz TZPLNBZKGADAKJ-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000643056838 384557957 /nfs/dbraw/zinc/55/79/57/384557957.db2.gz ZDBYVPUTSRMIOG-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033709 384560407 /nfs/dbraw/zinc/56/04/07/384560407.db2.gz MTYLXNOYOXAAEM-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033709 384560414 /nfs/dbraw/zinc/56/04/14/384560414.db2.gz MTYLXNOYOXAAEM-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000020075010 384575392 /nfs/dbraw/zinc/57/53/92/384575392.db2.gz CIKLRLPGTXSDEQ-UHFFFAOYSA-N 2 1 224.352 1.098 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000647336584 384576095 /nfs/dbraw/zinc/57/60/95/384576095.db2.gz CSCJBOZVDIDECT-IGQOVBAYSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000647336584 384576098 /nfs/dbraw/zinc/57/60/98/384576098.db2.gz CSCJBOZVDIDECT-IGQOVBAYSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1cccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423084329 384566831 /nfs/dbraw/zinc/56/68/31/384566831.db2.gz HRRGRUBOBYZHIM-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000397414458 384600056 /nfs/dbraw/zinc/60/00/56/384600056.db2.gz XILXWYUNYQLAMY-WOPDTQHZSA-N 2 1 236.363 1.225 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000336658973 384676267 /nfs/dbraw/zinc/67/62/67/384676267.db2.gz BGUXYGXAKAMWSY-TUAOUCFPSA-N 2 1 214.353 1.341 20 0 BDADMP CC(C)[N@@H+](C[C@H](C)O)CC1CC[NH2+]CC1 ZINC000086703527 384677677 /nfs/dbraw/zinc/67/76/77/384677677.db2.gz AUWMOBUYOZAFGJ-NSHDSACASA-N 2 1 214.353 1.077 20 0 BDADMP Cc1ccoc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125536165 384726312 /nfs/dbraw/zinc/72/63/12/384726312.db2.gz DTSYDKSJOAIGQE-LBPRGKRZSA-N 2 1 222.332 1.972 20 0 BDADMP Cc1ccoc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125536165 384726320 /nfs/dbraw/zinc/72/63/20/384726320.db2.gz DTSYDKSJOAIGQE-LBPRGKRZSA-N 2 1 222.332 1.972 20 0 BDADMP C[NH2+]C[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000086839887 384699517 /nfs/dbraw/zinc/69/95/17/384699517.db2.gz IMONXDKMTWUXKT-VIFPVBQESA-N 2 1 225.723 1.781 20 0 BDADMP C[NH2+][C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086839799 384701486 /nfs/dbraw/zinc/70/14/86/384701486.db2.gz PJHXXDPQQJFIBD-SECBINFHSA-N 2 1 225.723 1.923 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCOC)C1 ZINC000173908910 384730663 /nfs/dbraw/zinc/73/06/63/384730663.db2.gz OHVCKFGASBXKKR-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCC(N)(CC)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546234 384730908 /nfs/dbraw/zinc/73/09/08/384730908.db2.gz GLDRAKBMGBRFKC-FRRDWIJNSA-N 2 1 239.407 1.482 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546750 384733922 /nfs/dbraw/zinc/73/39/22/384733922.db2.gz ZZVTWTYCLPRHCY-XJFOESAGSA-N 3 1 239.407 1.482 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000647547049 384736979 /nfs/dbraw/zinc/73/69/79/384736979.db2.gz LXTGMCMRJUYYLJ-RWMBFGLXSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000647547050 384737792 /nfs/dbraw/zinc/73/77/92/384737792.db2.gz LXTGMCMRJUYYLJ-XQQFMLRXSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)C1 ZINC000647548677 384740065 /nfs/dbraw/zinc/74/00/65/384740065.db2.gz OONKHJBEBNUUBW-MEBFFEOJSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000647548680 384740963 /nfs/dbraw/zinc/74/09/63/384740963.db2.gz OONKHJBEBNUUBW-VJTDZRGJSA-N 2 1 238.375 1.532 20 0 BDADMP Nc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cn1 ZINC000647548088 384750459 /nfs/dbraw/zinc/75/04/59/384750459.db2.gz UZZNACITLNASAF-GFCCVEGCSA-N 2 1 234.347 1.101 20 0 BDADMP COc1c(O)cccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000647552080 384757096 /nfs/dbraw/zinc/75/70/96/384757096.db2.gz FGMOHTAKENMSRP-ZJUUUORDSA-N 2 1 238.331 1.616 20 0 BDADMP COc1c(O)cccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000647552079 384757878 /nfs/dbraw/zinc/75/78/78/384757878.db2.gz FGMOHTAKENMSRP-VHSXEESVSA-N 2 1 238.331 1.616 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223563606 384759825 /nfs/dbraw/zinc/75/98/25/384759825.db2.gz QFLUMODUCVCOFD-ONGXEEELSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223563606 384759835 /nfs/dbraw/zinc/75/98/35/384759835.db2.gz QFLUMODUCVCOFD-ONGXEEELSA-N 2 1 238.306 1.700 20 0 BDADMP CCSCC[N@H+](C)[C@H](CN)C1CC1 ZINC000126716995 384792911 /nfs/dbraw/zinc/79/29/11/384792911.db2.gz UXFXGPXLWWQOKO-SNVBAGLBSA-N 2 1 202.367 1.409 20 0 BDADMP CCSCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126716995 384792923 /nfs/dbraw/zinc/79/29/23/384792923.db2.gz UXFXGPXLWWQOKO-SNVBAGLBSA-N 2 1 202.367 1.409 20 0 BDADMP CCSCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126716995 384792926 /nfs/dbraw/zinc/79/29/26/384792926.db2.gz UXFXGPXLWWQOKO-SNVBAGLBSA-N 2 1 202.367 1.409 20 0 BDADMP CCCCOCC[N@H+](C)[C@H](CN)C1CC1 ZINC000126724672 384797987 /nfs/dbraw/zinc/79/79/87/384797987.db2.gz IJMMRLZEEUNHAN-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP CCCCOCC[N@@H+](C)[C@H](CN)C1CC1 ZINC000126724672 384797996 /nfs/dbraw/zinc/79/79/96/384797996.db2.gz IJMMRLZEEUNHAN-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP CCCCOCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126724672 384798002 /nfs/dbraw/zinc/79/80/02/384798002.db2.gz IJMMRLZEEUNHAN-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP CCCCOCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126724672 384798010 /nfs/dbraw/zinc/79/80/10/384798010.db2.gz IJMMRLZEEUNHAN-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC000163417652 384884365 /nfs/dbraw/zinc/88/43/65/384884365.db2.gz MHWZGAXTMRKIOR-QWHCGFSZSA-N 2 1 233.359 1.807 20 0 BDADMP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000362975194 384846323 /nfs/dbraw/zinc/84/63/23/384846323.db2.gz DQEZGOSURHLWQO-DGCLKSJQSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000309816607 384854008 /nfs/dbraw/zinc/85/40/08/384854008.db2.gz VJORELOFYKOHML-UWVGGRQHSA-N 2 1 236.306 1.198 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000259005217 384955776 /nfs/dbraw/zinc/95/57/76/384955776.db2.gz NJFJIADWZYUQDD-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2N)C1 ZINC000259005217 384955779 /nfs/dbraw/zinc/95/57/79/384955779.db2.gz NJFJIADWZYUQDD-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2N)C1 ZINC000259005217 384955786 /nfs/dbraw/zinc/95/57/86/384955786.db2.gz NJFJIADWZYUQDD-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](CF)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000306366834 384905174 /nfs/dbraw/zinc/90/51/74/384905174.db2.gz JWHTUYWVFHYVCL-MXWKQRLJSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H](CF)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000306366834 384905181 /nfs/dbraw/zinc/90/51/81/384905181.db2.gz JWHTUYWVFHYVCL-MXWKQRLJSA-N 2 1 200.301 1.561 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCOC ZINC000127656305 384912626 /nfs/dbraw/zinc/91/26/26/384912626.db2.gz VNYUZJMUVXPBAP-VXGBXAGGSA-N 2 1 216.369 1.731 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251354770 384916050 /nfs/dbraw/zinc/91/60/50/384916050.db2.gz CGECBUXDRCIOCS-STQMWFEESA-N 2 1 210.365 1.964 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000257651300 384920670 /nfs/dbraw/zinc/92/06/70/384920670.db2.gz DIIOZTDPGYVLFC-OAHLLOKOSA-N 2 1 245.370 1.700 20 0 BDADMP COc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000259214862 384959487 /nfs/dbraw/zinc/95/94/87/384959487.db2.gz XJCYNSHYVGNUHM-OLZOCXBDSA-N 2 1 220.316 1.665 20 0 BDADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000156739491 384944816 /nfs/dbraw/zinc/94/48/16/384944816.db2.gz JVZKHTUWSXSJCV-XUXIUFHCSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000156739491 384944819 /nfs/dbraw/zinc/94/48/19/384944819.db2.gz JVZKHTUWSXSJCV-XUXIUFHCSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1cc(C)c(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000258846112 384947576 /nfs/dbraw/zinc/94/75/76/384947576.db2.gz DWNVPZMRXULULT-AWEZNQCLSA-N 2 1 236.359 1.363 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccns3)C[C@@H]21 ZINC000404437663 384988049 /nfs/dbraw/zinc/98/80/49/384988049.db2.gz HTIJXFIZSNFWHC-ZMLRMANQSA-N 2 1 237.372 1.702 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccns3)C[C@@H]21 ZINC000404437663 384988057 /nfs/dbraw/zinc/98/80/57/384988057.db2.gz HTIJXFIZSNFWHC-ZMLRMANQSA-N 2 1 237.372 1.702 20 0 BDADMP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000647244201 385047643 /nfs/dbraw/zinc/04/76/43/385047643.db2.gz WAUHZZBLNDFDEQ-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000312991464 385054787 /nfs/dbraw/zinc/05/47/87/385054787.db2.gz XETGGFWRGITDSP-LLVKDONJSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C1CC([NH3+])C1 ZINC000336233362 385062643 /nfs/dbraw/zinc/06/26/43/385062643.db2.gz BVKRDOYRBATUJJ-UHFFFAOYSA-N 2 1 206.289 1.314 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)C1CC([NH3+])C1 ZINC000336233362 385062649 /nfs/dbraw/zinc/06/26/49/385062649.db2.gz BVKRDOYRBATUJJ-UHFFFAOYSA-N 2 1 206.289 1.314 20 0 BDADMP CC[C@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310514147 385101789 /nfs/dbraw/zinc/10/17/89/385101789.db2.gz RDPNKKRCROMOGW-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310514147 385101792 /nfs/dbraw/zinc/10/17/92/385101792.db2.gz RDPNKKRCROMOGW-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310514147 385101794 /nfs/dbraw/zinc/10/17/94/385101794.db2.gz RDPNKKRCROMOGW-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310514147 385101796 /nfs/dbraw/zinc/10/17/96/385101796.db2.gz RDPNKKRCROMOGW-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccn1 ZINC000252710002 385188347 /nfs/dbraw/zinc/18/83/47/385188347.db2.gz FKDGXTVVPQPDFF-GXTWGEPZSA-N 2 1 233.359 1.554 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCO)CC[N@H+]1C ZINC000178161845 385194072 /nfs/dbraw/zinc/19/40/72/385194072.db2.gz DAJXDVBFFRSIQM-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305161627 385199956 /nfs/dbraw/zinc/19/99/56/385199956.db2.gz XFGFYVWIPYTKKR-FPMFFAJLSA-N 2 1 242.407 1.713 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157333946 385146211 /nfs/dbraw/zinc/14/62/11/385146211.db2.gz FIXMLAZIOWKCPC-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nc1 ZINC000222185243 385165224 /nfs/dbraw/zinc/16/52/24/385165224.db2.gz IONTYXJHCGTPPS-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nc1 ZINC000222185243 385165233 /nfs/dbraw/zinc/16/52/33/385165233.db2.gz IONTYXJHCGTPPS-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP Nc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647482410 385209189 /nfs/dbraw/zinc/20/91/89/385209189.db2.gz CUHUBFBXJGWTOJ-UHFFFAOYSA-N 2 1 246.358 1.211 20 0 BDADMP Nc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647482410 385209196 /nfs/dbraw/zinc/20/91/96/385209196.db2.gz CUHUBFBXJGWTOJ-UHFFFAOYSA-N 2 1 246.358 1.211 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000393384206 385215002 /nfs/dbraw/zinc/21/50/02/385215002.db2.gz UVVFHFNXKXEWSB-WXHSDQCUSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000305768827 385227360 /nfs/dbraw/zinc/22/73/60/385227360.db2.gz LEGUSHLHJSAAHZ-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000252729640 385234373 /nfs/dbraw/zinc/23/43/73/385234373.db2.gz HPVLXPMJFBIIFM-PDWCTOEPSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000252729640 385234377 /nfs/dbraw/zinc/23/43/77/385234377.db2.gz HPVLXPMJFBIIFM-PDWCTOEPSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308895346 385246930 /nfs/dbraw/zinc/24/69/30/385246930.db2.gz ZDVMPJJSKLUHLC-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308895346 385246934 /nfs/dbraw/zinc/24/69/34/385246934.db2.gz ZDVMPJJSKLUHLC-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000308946049 385308147 /nfs/dbraw/zinc/30/81/47/385308147.db2.gz NRUHENCPWAQXIT-STQMWFEESA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)(O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157897512 385302067 /nfs/dbraw/zinc/30/20/67/385302067.db2.gz XGXUYAWSZFAZRK-NWDGAFQWSA-N 2 1 226.364 1.364 20 0 BDADMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc[nH+]1 ZINC000192796409 385372103 /nfs/dbraw/zinc/37/21/03/385372103.db2.gz LBDCLPIPRXHCAW-QWHCGFSZSA-N 2 1 249.358 1.281 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnn1C(C)C ZINC000280875054 385379931 /nfs/dbraw/zinc/37/99/31/385379931.db2.gz MVHKYVCPZVNYLZ-UHFFFAOYSA-N 2 1 247.346 1.759 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+]CC1(C)COC1 ZINC000309052298 385386279 /nfs/dbraw/zinc/38/62/79/385386279.db2.gz RNLZCBBZEXXVGD-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000308971376 385327894 /nfs/dbraw/zinc/32/78/94/385327894.db2.gz ZQMGTDKZMHVNDP-LBPRGKRZSA-N 2 1 226.389 1.591 20 0 BDADMP CSC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308973300 385328222 /nfs/dbraw/zinc/32/82/22/385328222.db2.gz HJUHEAJHNCTIOC-SNVBAGLBSA-N 2 1 228.405 1.954 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647498838 385421437 /nfs/dbraw/zinc/42/14/37/385421437.db2.gz RVFXADAVONOKLM-QWHCGFSZSA-N 3 1 225.380 1.045 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647498959 385423363 /nfs/dbraw/zinc/42/33/63/385423363.db2.gz UXDGBYKHROMTRH-VXGBXAGGSA-N 2 1 234.347 1.053 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647498959 385423367 /nfs/dbraw/zinc/42/33/67/385423367.db2.gz UXDGBYKHROMTRH-VXGBXAGGSA-N 2 1 234.347 1.053 20 0 BDADMP C[N@H+](CCN)CCCc1ccc2c(c1)CCO2 ZINC000077369876 385452459 /nfs/dbraw/zinc/45/24/59/385452459.db2.gz CWJGGRZFVCYFLF-UHFFFAOYSA-N 2 1 234.343 1.445 20 0 BDADMP C[N@@H+](CCN)CCCc1ccc2c(c1)CCO2 ZINC000077369876 385452463 /nfs/dbraw/zinc/45/24/63/385452463.db2.gz CWJGGRZFVCYFLF-UHFFFAOYSA-N 2 1 234.343 1.445 20 0 BDADMP C[N@H+](CC[NH3+])CCCc1ccc2c(c1)CCO2 ZINC000077369876 385452467 /nfs/dbraw/zinc/45/24/67/385452467.db2.gz CWJGGRZFVCYFLF-UHFFFAOYSA-N 2 1 234.343 1.445 20 0 BDADMP C[N@@H+](CC[NH3+])CCCc1ccc2c(c1)CCO2 ZINC000077369876 385452472 /nfs/dbraw/zinc/45/24/72/385452472.db2.gz CWJGGRZFVCYFLF-UHFFFAOYSA-N 2 1 234.343 1.445 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000309131723 385430859 /nfs/dbraw/zinc/43/08/59/385430859.db2.gz XZCKIJQJHBHZAQ-RYUDHWBXSA-N 2 1 216.369 1.730 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000309131723 385430862 /nfs/dbraw/zinc/43/08/62/385430862.db2.gz XZCKIJQJHBHZAQ-RYUDHWBXSA-N 2 1 216.369 1.730 20 0 BDADMP COC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309257868 385502016 /nfs/dbraw/zinc/50/20/16/385502016.db2.gz OPJDQFRIDIZXJJ-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000319097776 385543046 /nfs/dbraw/zinc/54/30/46/385543046.db2.gz WAQQDGXQDHINTG-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H](NCCCn1ccnc1)c1ccon1 ZINC000309423375 385577539 /nfs/dbraw/zinc/57/75/39/385577539.db2.gz KCUJYUFXBNHOGD-JTQLQIEISA-N 2 1 220.276 1.612 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309429033 385578681 /nfs/dbraw/zinc/57/86/81/385578681.db2.gz FUFOIDBUOJGZKR-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NC[C@H](C)C[NH3+])c2c1C ZINC000647705642 385580969 /nfs/dbraw/zinc/58/09/69/385580969.db2.gz FOFOCCSBXUEURY-SSDOTTSWSA-N 2 1 233.319 1.581 20 0 BDADMP FCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336680065 385626434 /nfs/dbraw/zinc/62/64/34/385626434.db2.gz IUDCCRMJPNSTKJ-NEPJUHHUSA-N 2 1 214.328 1.953 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000082645559 385627140 /nfs/dbraw/zinc/62/71/40/385627140.db2.gz ZOSDDKYYVJHOQR-YPMHNXCESA-N 2 1 219.332 1.641 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cncc(F)c1 ZINC000414850104 385630446 /nfs/dbraw/zinc/63/04/46/385630446.db2.gz YSHPWHQYDZZAJS-SECBINFHSA-N 2 1 211.284 1.166 20 0 BDADMP CC[NH+](CC)CCCN1CCC[N@@H+](CC)CC1 ZINC000365192225 385633759 /nfs/dbraw/zinc/63/37/59/385633759.db2.gz PIQVCQAIFLFWER-UHFFFAOYSA-N 2 1 241.423 1.746 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000307082271 385653689 /nfs/dbraw/zinc/65/36/89/385653689.db2.gz HKAGCSRXNXVDMN-ONGXEEELSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCF ZINC000336685827 385693711 /nfs/dbraw/zinc/69/37/11/385693711.db2.gz LDERBPSCLZKDIB-QWRGUYRKSA-N 2 1 202.317 1.666 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000307253186 385670225 /nfs/dbraw/zinc/67/02/25/385670225.db2.gz USUZOIACJPMGSB-WDEREUQCSA-N 2 1 200.301 1.561 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414857981 385729862 /nfs/dbraw/zinc/72/98/62/385729862.db2.gz GYWLIVGJJIWCIX-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000034122476 385788251 /nfs/dbraw/zinc/78/82/51/385788251.db2.gz BNRNKZZNINUCEE-STQMWFEESA-N 2 1 220.316 1.235 20 0 BDADMP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000034122476 385788252 /nfs/dbraw/zinc/78/82/52/385788252.db2.gz BNRNKZZNINUCEE-STQMWFEESA-N 2 1 220.316 1.235 20 0 BDADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000414865058 385770840 /nfs/dbraw/zinc/77/08/40/385770840.db2.gz YVPHDOJFONNHJL-KOLCDFICSA-N 2 1 239.388 1.929 20 0 BDADMP C[C@H]1C[C@@H]1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856849 385718983 /nfs/dbraw/zinc/71/89/83/385718983.db2.gz AZCDGWLRBFNPGZ-GXTWGEPZSA-N 2 1 233.359 1.807 20 0 BDADMP CCn1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000414857076 385722737 /nfs/dbraw/zinc/72/27/37/385722737.db2.gz OUTYVRCUHYKLKL-DGCLKSJQSA-N 2 1 236.363 1.381 20 0 BDADMP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000231465532 385799523 /nfs/dbraw/zinc/79/95/23/385799523.db2.gz QUKKAIWGKBRWQH-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000231465532 385799529 /nfs/dbraw/zinc/79/95/29/385799529.db2.gz QUKKAIWGKBRWQH-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414947419 385803674 /nfs/dbraw/zinc/80/36/74/385803674.db2.gz VBQJAUJZOGPRGS-HPOULIHZSA-N 2 1 226.270 1.915 20 0 BDADMP COc1ccsc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952844 385825234 /nfs/dbraw/zinc/82/52/34/385825234.db2.gz RCOCVPMRYRUFAT-NXEZZACHSA-N 2 1 240.372 1.987 20 0 BDADMP CCC[NH2+]CC[NH2+]C1CCSCC1 ZINC000414869254 385837059 /nfs/dbraw/zinc/83/70/59/385837059.db2.gz LGDSRURFZXWBRB-UHFFFAOYSA-N 2 1 202.367 1.471 20 0 BDADMP CCCCOCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336718170 385843495 /nfs/dbraw/zinc/84/34/95/385843495.db2.gz QXGRBSTYAZXKFU-UHFFFAOYSA-N 2 1 240.391 1.879 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@@H+]1C ZINC000638116669 385851561 /nfs/dbraw/zinc/85/15/61/385851561.db2.gz LFADODDNILGOPV-DGCLKSJQSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@H+]1C ZINC000638116669 385851563 /nfs/dbraw/zinc/85/15/63/385851563.db2.gz LFADODDNILGOPV-DGCLKSJQSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1C ZINC000638116669 385851566 /nfs/dbraw/zinc/85/15/66/385851566.db2.gz LFADODDNILGOPV-DGCLKSJQSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1C ZINC000638116669 385851567 /nfs/dbraw/zinc/85/15/67/385851567.db2.gz LFADODDNILGOPV-DGCLKSJQSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC000647841618 385889873 /nfs/dbraw/zinc/88/98/73/385889873.db2.gz FUFAEKQVCYSTLM-BETUJISGSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC000647841618 385889878 /nfs/dbraw/zinc/88/98/78/385889878.db2.gz FUFAEKQVCYSTLM-BETUJISGSA-N 2 1 239.407 1.448 20 0 BDADMP COc1ccsc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414963579 385897694 /nfs/dbraw/zinc/89/76/94/385897694.db2.gz UFXSRFCKWYBYTB-UWVGGRQHSA-N 2 1 240.372 1.844 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000414964536 385907766 /nfs/dbraw/zinc/90/77/66/385907766.db2.gz YOUIUCGUOCUPDK-FDYHWXHSSA-N 3 1 225.380 1.105 20 0 BDADMP COc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000250946041 385929683 /nfs/dbraw/zinc/92/96/83/385929683.db2.gz CELOWKWFACEFIZ-NEPJUHHUSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)nc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000250946041 385929687 /nfs/dbraw/zinc/92/96/87/385929687.db2.gz CELOWKWFACEFIZ-NEPJUHHUSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000250946041 385929688 /nfs/dbraw/zinc/92/96/88/385929688.db2.gz CELOWKWFACEFIZ-NEPJUHHUSA-N 2 1 249.358 1.568 20 0 BDADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000123119666 385859492 /nfs/dbraw/zinc/85/94/92/385859492.db2.gz FPEWAMCRTXOYQM-MNOVXSKESA-N 2 1 214.353 1.341 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647815512 385868171 /nfs/dbraw/zinc/86/81/71/385868171.db2.gz UOHOUMCSDUQVFZ-DGCLKSJQSA-N 2 1 249.358 1.087 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647815512 385868174 /nfs/dbraw/zinc/86/81/74/385868174.db2.gz UOHOUMCSDUQVFZ-DGCLKSJQSA-N 2 1 249.358 1.087 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000272045246 385871994 /nfs/dbraw/zinc/87/19/94/385871994.db2.gz YQUSXBRDNIIRCY-GFCCVEGCSA-N 2 1 248.370 1.924 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cn[nH]c1 ZINC000340471132 385872428 /nfs/dbraw/zinc/87/24/28/385872428.db2.gz BVHJTRNPRHBGDY-LLVKDONJSA-N 2 1 248.374 1.935 20 0 BDADMP C[NH+]1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000338007599 385879423 /nfs/dbraw/zinc/87/94/23/385879423.db2.gz ODMUPRMSOPGYDU-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414971932 385979223 /nfs/dbraw/zinc/97/92/23/385979223.db2.gz XBIOFYLLAAOJAC-LLVKDONJSA-N 2 1 222.336 1.340 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@H+]1C ZINC000335021089 385980958 /nfs/dbraw/zinc/98/09/58/385980958.db2.gz BCCGSEAGSIWXJC-CHWSQXEVSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1C ZINC000335021089 385980965 /nfs/dbraw/zinc/98/09/65/385980965.db2.gz BCCGSEAGSIWXJC-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc2c1NCC2 ZINC000414972232 385982031 /nfs/dbraw/zinc/98/20/31/385982031.db2.gz ALTJGJXGTPHCRE-GFCCVEGCSA-N 2 1 219.332 1.482 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000335040003 385931018 /nfs/dbraw/zinc/93/10/18/385931018.db2.gz NYOKTZXOTSDIQM-UONOGXRCSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC1(C)C)c1c[nH+]ccc1N ZINC000335043108 385935531 /nfs/dbraw/zinc/93/55/31/385935531.db2.gz NKVADYWSYYNWEA-GZMMTYOYSA-N 2 1 205.305 1.943 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC000342088609 385935559 /nfs/dbraw/zinc/93/55/59/385935559.db2.gz ADRCXNCNJJPVPY-MGPQQGTHSA-N 2 1 238.375 1.472 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1C ZINC000414062200 385935961 /nfs/dbraw/zinc/93/59/61/385935961.db2.gz CJCXEPAJUUIDQH-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000647982612 385937847 /nfs/dbraw/zinc/93/78/47/385937847.db2.gz DMGKUZXZSNLPFL-UHFFFAOYSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccoc1 ZINC000335046082 385942096 /nfs/dbraw/zinc/94/20/96/385942096.db2.gz ZLVBXAYNKZGRLC-ZYHUDNBSSA-N 2 1 208.305 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000309256102 385998967 /nfs/dbraw/zinc/99/89/67/385998967.db2.gz GKCQIWUERKJXDV-FDYHWXHSSA-N 2 1 224.348 1.238 20 0 BDADMP CN(CC[NH+]1CCCC1)C[C@@H]1CCC[N@H+]1C ZINC000643256096 386001533 /nfs/dbraw/zinc/00/15/33/386001533.db2.gz QZVAOMCRCBKOIX-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC(C)N1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000336721960 386003244 /nfs/dbraw/zinc/00/32/44/386003244.db2.gz SPQHZTDGSBUXMB-CYBMUJFWSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@H]1C ZINC000414974772 386011797 /nfs/dbraw/zinc/01/17/97/386011797.db2.gz KMTYJDSULRKOSR-RQJABVFESA-N 2 1 239.407 1.304 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000187999326 386012352 /nfs/dbraw/zinc/01/23/52/386012352.db2.gz DXELBUAGDJOCIW-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CO1 ZINC000401976236 386023065 /nfs/dbraw/zinc/02/30/65/386023065.db2.gz UXRQAAMPWVRXCX-KZWUZSNJSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401976236 386023075 /nfs/dbraw/zinc/02/30/75/386023075.db2.gz UXRQAAMPWVRXCX-KZWUZSNJSA-N 2 1 238.375 1.769 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CCOC)[C@@H](C)C1 ZINC000414192881 386032755 /nfs/dbraw/zinc/03/27/55/386032755.db2.gz HVIXDMZCTMQPJR-RDBSUJKOSA-N 2 1 242.407 1.979 20 0 BDADMP CCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343274792 386039229 /nfs/dbraw/zinc/03/92/29/386039229.db2.gz WTRWTVXICVOYKP-MCIONIFRSA-N 2 1 240.391 1.923 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(F)c(C)c1 ZINC000414979799 386046633 /nfs/dbraw/zinc/04/66/33/386046633.db2.gz OOGSYHITDDJEEO-LLVKDONJSA-N 2 1 210.296 1.961 20 0 BDADMP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000414239383 386053371 /nfs/dbraw/zinc/05/33/71/386053371.db2.gz YODYYBFKIVKJSD-FZMZJTMJSA-N 2 1 240.391 1.874 20 0 BDADMP CC1=CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000334459987 386110917 /nfs/dbraw/zinc/11/09/17/386110917.db2.gz UERNFGXEBMTHKC-OLZOCXBDSA-N 2 1 224.348 1.141 20 0 BDADMP CC1=CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000334459987 386110921 /nfs/dbraw/zinc/11/09/21/386110921.db2.gz UERNFGXEBMTHKC-OLZOCXBDSA-N 2 1 224.348 1.141 20 0 BDADMP CC1=CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000334459988 386112190 /nfs/dbraw/zinc/11/21/90/386112190.db2.gz UERNFGXEBMTHKC-QWHCGFSZSA-N 2 1 224.348 1.141 20 0 BDADMP CC1=CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000334459988 386112197 /nfs/dbraw/zinc/11/21/97/386112197.db2.gz UERNFGXEBMTHKC-QWHCGFSZSA-N 2 1 224.348 1.141 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000340240653 386073717 /nfs/dbraw/zinc/07/37/17/386073717.db2.gz VVWKQBKPCIMZQL-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C)[C@@H]2CN)CC[NH2+]1 ZINC000414657089 386085687 /nfs/dbraw/zinc/08/56/87/386085687.db2.gz JMDPILCFOYNLAX-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@H](CN2CCC[C@@H](C)[C@@H]2C[NH3+])CC[NH2+]1 ZINC000414657089 386085690 /nfs/dbraw/zinc/08/56/90/386085690.db2.gz JMDPILCFOYNLAX-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP CC[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000336729157 386099546 /nfs/dbraw/zinc/09/95/46/386099546.db2.gz HNBWYUAZZOENGN-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000414893676 386164604 /nfs/dbraw/zinc/16/46/04/386164604.db2.gz YMOUEOWHUIMOEU-NSHDSACASA-N 2 1 244.342 1.904 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000414682826 386166318 /nfs/dbraw/zinc/16/63/18/386166318.db2.gz AQASNPJCKSUANA-NEPJUHHUSA-N 2 1 241.379 1.090 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](CCO)C(C)C ZINC000414684170 386167579 /nfs/dbraw/zinc/16/75/79/386167579.db2.gz UXLPHXRTUJNIFD-LLVKDONJSA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CCO)C(C)C ZINC000414684170 386167581 /nfs/dbraw/zinc/16/75/81/386167581.db2.gz UXLPHXRTUJNIFD-LLVKDONJSA-N 2 1 202.342 1.063 20 0 BDADMP C[NH+](C)CC(C)(C)CNc1[nH+]cnc2[nH]ccc21 ZINC000263723914 386169872 /nfs/dbraw/zinc/16/98/72/386169872.db2.gz BROWUSZHTOKBTA-UHFFFAOYSA-N 2 1 247.346 1.958 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)CC[N@@H+]1C ZINC000310313686 386172174 /nfs/dbraw/zinc/17/21/74/386172174.db2.gz RKTZPJCLOVJKBQ-XJFOESAGSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)CC[N@H+]1C ZINC000310313686 386172178 /nfs/dbraw/zinc/17/21/78/386172178.db2.gz RKTZPJCLOVJKBQ-XJFOESAGSA-N 2 1 240.391 1.610 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164646889 386174349 /nfs/dbraw/zinc/17/43/49/386174349.db2.gz ZVCAIADUJZJGST-QWHCGFSZSA-N 2 1 228.380 1.720 20 0 BDADMP COCc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414894752 386180863 /nfs/dbraw/zinc/18/08/63/386180863.db2.gz LQCODWAAQIQFHE-CQSZACIVSA-N 2 1 234.343 1.660 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000414690634 386185843 /nfs/dbraw/zinc/18/58/43/386185843.db2.gz HXCQMDMVCHNOOU-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CN(C)C)C2)CC[NH2+]1 ZINC000414690634 386185847 /nfs/dbraw/zinc/18/58/47/386185847.db2.gz HXCQMDMVCHNOOU-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CN(C)C)C2)CC[NH2+]1 ZINC000414690634 386185852 /nfs/dbraw/zinc/18/58/52/386185852.db2.gz HXCQMDMVCHNOOU-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000365484486 386126841 /nfs/dbraw/zinc/12/68/41/386126841.db2.gz OSAVFGVJYWEJCR-NSHDSACASA-N 2 1 219.332 1.930 20 0 BDADMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000365484486 386126844 /nfs/dbraw/zinc/12/68/44/386126844.db2.gz OSAVFGVJYWEJCR-NSHDSACASA-N 2 1 219.332 1.930 20 0 BDADMP C[C@H](c1cccnc1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000414700439 386204810 /nfs/dbraw/zinc/20/48/10/386204810.db2.gz SPGJEKPFAPWKKZ-CYBMUJFWSA-N 2 1 248.374 1.109 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC2CCC2)CCN1C ZINC000347052700 386206436 /nfs/dbraw/zinc/20/64/36/386206436.db2.gz KQBVEKUYLXGHQU-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCOC2CCC2)CC[N@@H+]1C ZINC000347052700 386206442 /nfs/dbraw/zinc/20/64/42/386206442.db2.gz KQBVEKUYLXGHQU-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCOC2CCC2)CC[N@H+]1C ZINC000347052700 386206447 /nfs/dbraw/zinc/20/64/47/386206447.db2.gz KQBVEKUYLXGHQU-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCOC2CCC2)CC[NH+]1C ZINC000347052700 386206453 /nfs/dbraw/zinc/20/64/53/386206453.db2.gz KQBVEKUYLXGHQU-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCC[C@H]2O)CC[NH2+]1 ZINC000414700525 386207923 /nfs/dbraw/zinc/20/79/23/386207923.db2.gz GAZSBLPMBGISMW-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP [NH3+]CCCC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000414897134 386215287 /nfs/dbraw/zinc/21/52/87/386215287.db2.gz AWVWLVHQAJNDQY-UHFFFAOYSA-N 2 1 244.342 1.905 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414709766 386225315 /nfs/dbraw/zinc/22/53/15/386225315.db2.gz RSYWBFLFOLDZAF-WOPDTQHZSA-N 2 1 242.363 1.115 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347038903 386226879 /nfs/dbraw/zinc/22/68/79/386226879.db2.gz IYWPGSUJJUDAEK-TZMCWYRMSA-N 2 1 240.391 1.720 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000347080219 386239148 /nfs/dbraw/zinc/23/91/48/386239148.db2.gz XDODNEFMXVFKIZ-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000347080219 386239150 /nfs/dbraw/zinc/23/91/50/386239150.db2.gz XDODNEFMXVFKIZ-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000125288731 386241319 /nfs/dbraw/zinc/24/13/19/386241319.db2.gz GVAXNYAVRNFRIV-VXGBXAGGSA-N 2 1 214.353 1.484 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000647932617 386242541 /nfs/dbraw/zinc/24/25/41/386242541.db2.gz JPYFERXHQICMPX-UHFFFAOYSA-N 2 1 245.330 1.363 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2nc[nH]c2C1 ZINC000647932617 386242543 /nfs/dbraw/zinc/24/25/43/386242543.db2.gz JPYFERXHQICMPX-UHFFFAOYSA-N 2 1 245.330 1.363 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414716034 386243468 /nfs/dbraw/zinc/24/34/68/386243468.db2.gz WMSUZVHOTOKHIO-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)[NH+](C)C ZINC000353512495 386251682 /nfs/dbraw/zinc/25/16/82/386251682.db2.gz CXBKVGMKIJWWJR-XJFOESAGSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N(C)C ZINC000353512495 386251686 /nfs/dbraw/zinc/25/16/86/386251686.db2.gz CXBKVGMKIJWWJR-XJFOESAGSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)N(C)C ZINC000353512495 386251692 /nfs/dbraw/zinc/25/16/92/386251692.db2.gz CXBKVGMKIJWWJR-XJFOESAGSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@@H+](C)Cc1cccc(CNC(N)=[NH2+])c1 ZINC000263969272 386196311 /nfs/dbraw/zinc/19/63/11/386196311.db2.gz NMJUPNDEDAJOFT-UHFFFAOYSA-N 2 1 220.320 1.121 20 0 BDADMP C[C@H]1CC[N@@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414696874 386199958 /nfs/dbraw/zinc/19/99/58/386199958.db2.gz QPOIWGSYNLEKBI-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP C[C@@H](CO)[N@@H+](C)Cc1cccc2nccn21 ZINC000289521764 386324270 /nfs/dbraw/zinc/32/42/70/386324270.db2.gz VLJCMBFOQNTQKV-JTQLQIEISA-N 2 1 219.288 1.147 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCC(C)(C)O ZINC000347295581 386296496 /nfs/dbraw/zinc/29/64/96/386296496.db2.gz BUUPVLNCXNDDJF-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCC(C)(C)O ZINC000347295581 386296504 /nfs/dbraw/zinc/29/65/04/386296504.db2.gz BUUPVLNCXNDDJF-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCC(C)(C)O ZINC000347295581 386296511 /nfs/dbraw/zinc/29/65/11/386296511.db2.gz BUUPVLNCXNDDJF-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCn2cccn2)CC1 ZINC000157496400 386296818 /nfs/dbraw/zinc/29/68/18/386296818.db2.gz JAHHXGQQNCIIDT-UHFFFAOYSA-N 2 1 236.363 1.299 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCn2cccn2)CC1 ZINC000157496400 386296824 /nfs/dbraw/zinc/29/68/24/386296824.db2.gz JAHHXGQQNCIIDT-UHFFFAOYSA-N 2 1 236.363 1.299 20 0 BDADMP CC(C)Cn1cc(C[NH2+]C[C@H]2CC[NH2+]C2)cn1 ZINC000414901977 386305282 /nfs/dbraw/zinc/30/52/82/386305282.db2.gz GRYUIWINVLLZAP-LBPRGKRZSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000335266636 386305503 /nfs/dbraw/zinc/30/55/03/386305503.db2.gz BVTPCLQBRZXIPV-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000335266636 386305508 /nfs/dbraw/zinc/30/55/08/386305508.db2.gz BVTPCLQBRZXIPV-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](O)[C@H](C)C2)CC[NH2+]1 ZINC000414738449 386319931 /nfs/dbraw/zinc/31/99/31/386319931.db2.gz JJBZKTGXQMDYHH-FDYHWXHSSA-N 2 1 226.364 1.077 20 0 BDADMP c1cc2c(s1)C[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647988795 386321770 /nfs/dbraw/zinc/32/17/70/386321770.db2.gz OLMUQSPSYFNWMV-JTQLQIEISA-N 2 1 222.357 1.716 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000347163278 386265953 /nfs/dbraw/zinc/26/59/53/386265953.db2.gz IPJTXCJWFNQGOG-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000226325712 386267594 /nfs/dbraw/zinc/26/75/94/386267594.db2.gz LPMHYAOMHCBUHK-LBPRGKRZSA-N 2 1 240.372 1.465 20 0 BDADMP Cn1cc([C@@H]2C[N@@H+](CC3CCCC3)C[C@H]2N)cn1 ZINC000335277832 386344044 /nfs/dbraw/zinc/34/40/44/386344044.db2.gz IQTYBNNGAIUYBT-UONOGXRCSA-N 2 1 248.374 1.337 20 0 BDADMP Cn1cc([C@@H]2CN(CC3CCCC3)C[C@H]2[NH3+])cn1 ZINC000335277832 386344053 /nfs/dbraw/zinc/34/40/53/386344053.db2.gz IQTYBNNGAIUYBT-UONOGXRCSA-N 2 1 248.374 1.337 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@](F)(CO)C1 ZINC000347351529 386346389 /nfs/dbraw/zinc/34/63/89/386346389.db2.gz XJLNTRMMIDNNRT-QWHCGFSZSA-N 2 1 244.354 1.267 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000414746741 386347068 /nfs/dbraw/zinc/34/70/68/386347068.db2.gz SSJHIXSXTIUNTE-XQQFMLRXSA-N 2 1 227.396 1.384 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000414746732 386347383 /nfs/dbraw/zinc/34/73/83/386347383.db2.gz SSJHIXSXTIUNTE-AGIUHOORSA-N 2 1 227.396 1.384 20 0 BDADMP C[C@@H](CNc1ccccn1)C[NH+]1CCOCC1 ZINC000265530557 386347603 /nfs/dbraw/zinc/34/76/03/386347603.db2.gz AUKRWGVEPGZOCL-LBPRGKRZSA-N 2 1 235.331 1.462 20 0 BDADMP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)no1 ZINC000336686982 386348885 /nfs/dbraw/zinc/34/88/85/386348885.db2.gz GJAJNYDWHJXACL-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000647889426 386359444 /nfs/dbraw/zinc/35/94/44/386359444.db2.gz PTOQBKGQLSJIJS-JHJVBQTASA-N 2 1 240.416 1.956 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000647889426 386359450 /nfs/dbraw/zinc/35/94/50/386359450.db2.gz PTOQBKGQLSJIJS-JHJVBQTASA-N 2 1 240.416 1.956 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc2nccn21 ZINC000334495055 386373109 /nfs/dbraw/zinc/37/31/09/386373109.db2.gz CRZQANCYCBXESO-ZYHUDNBSSA-N 2 1 231.299 1.289 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc2nccn21 ZINC000334495053 386374723 /nfs/dbraw/zinc/37/47/23/386374723.db2.gz CRZQANCYCBXESO-PWSUYJOCSA-N 2 1 231.299 1.289 20 0 BDADMP C[C@@]1(CN2CC[N@H+]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000094440690 386452649 /nfs/dbraw/zinc/45/26/49/386452649.db2.gz WVLSQKIHKONWAE-ZIAGYGMSSA-N 2 1 237.391 1.156 20 0 BDADMP Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000336754344 386438777 /nfs/dbraw/zinc/43/87/77/386438777.db2.gz WXRBSVLPDCYWEB-ZDUSSCGKSA-N 2 1 222.332 1.055 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1c(C)noc1C ZINC000647992219 386450864 /nfs/dbraw/zinc/45/08/64/386450864.db2.gz SNVRBDPFHDNQOB-VXGBXAGGSA-N 2 1 237.347 1.942 20 0 BDADMP CCC[C@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414756517 386400905 /nfs/dbraw/zinc/40/09/05/386400905.db2.gz JXGDUYUMNZEIAX-ZIAGYGMSSA-N 2 1 242.407 1.987 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336700663 386401725 /nfs/dbraw/zinc/40/17/25/386401725.db2.gz KNJOMLOCDKGBTK-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCO1 ZINC000336732710 386402844 /nfs/dbraw/zinc/40/28/44/386402844.db2.gz FZYTUWRPYOMIOV-AAEUAGOBSA-N 2 1 224.348 1.405 20 0 BDADMP Cc1ccc(CCC[N@@H+]2CCC[C@H]2C[NH3+])cn1 ZINC000339412285 386414904 /nfs/dbraw/zinc/41/49/04/386414904.db2.gz LVOSRDBURPKXPH-AWEZNQCLSA-N 2 1 233.359 1.746 20 0 BDADMP Cc1ccc(CCC[N@H+]2CCC[C@H]2C[NH3+])cn1 ZINC000339412285 386414909 /nfs/dbraw/zinc/41/49/09/386414909.db2.gz LVOSRDBURPKXPH-AWEZNQCLSA-N 2 1 233.359 1.746 20 0 BDADMP CCOC1CC([N@@H+](C)CCn2ccnc2C)C1 ZINC000347471453 386432658 /nfs/dbraw/zinc/43/26/58/386432658.db2.gz WXTHYPURTXTFMJ-UHFFFAOYSA-N 2 1 237.347 1.691 20 0 BDADMP CCOC1CC([N@H+](C)CCn2cc[nH+]c2C)C1 ZINC000347471453 386432662 /nfs/dbraw/zinc/43/26/62/386432662.db2.gz WXTHYPURTXTFMJ-UHFFFAOYSA-N 2 1 237.347 1.691 20 0 BDADMP CCOC1CC([N@@H+](C)CCn2cc[nH+]c2C)C1 ZINC000347471453 386432669 /nfs/dbraw/zinc/43/26/69/386432669.db2.gz WXTHYPURTXTFMJ-UHFFFAOYSA-N 2 1 237.347 1.691 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@H]1CCCOC1 ZINC000336778847 386478559 /nfs/dbraw/zinc/47/85/59/386478559.db2.gz MNBWJBXQODCGAS-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647934663 386482879 /nfs/dbraw/zinc/48/28/79/386482879.db2.gz LZONIMLFNQQUPU-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780338 386495563 /nfs/dbraw/zinc/49/55/63/386495563.db2.gz LIKUCWYIHKKDKM-JHJVBQTASA-N 2 1 238.375 1.330 20 0 BDADMP CCCN1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415043354 386529586 /nfs/dbraw/zinc/52/95/86/386529586.db2.gz RTRNRQFAOSUUDY-OCCSQVGLSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415050200 386507149 /nfs/dbraw/zinc/50/71/49/386507149.db2.gz FMRQNJCLQPWZLR-YIYPIFLZSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@@]1(C)CN ZINC000415050200 386507155 /nfs/dbraw/zinc/50/71/55/386507155.db2.gz FMRQNJCLQPWZLR-YIYPIFLZSA-N 2 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@@]1(C)CN ZINC000415050200 386507159 /nfs/dbraw/zinc/50/71/59/386507159.db2.gz FMRQNJCLQPWZLR-YIYPIFLZSA-N 2 1 239.407 1.291 20 0 BDADMP CCCN1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415043355 386529928 /nfs/dbraw/zinc/52/99/28/386529928.db2.gz RTRNRQFAOSUUDY-TZMCWYRMSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543655 386521443 /nfs/dbraw/zinc/52/14/43/386521443.db2.gz IAXPNOYMEFOKSA-NEPJUHHUSA-N 2 1 249.362 1.078 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543655 386521447 /nfs/dbraw/zinc/52/14/47/386521447.db2.gz IAXPNOYMEFOKSA-NEPJUHHUSA-N 2 1 249.362 1.078 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543655 386521449 /nfs/dbraw/zinc/52/14/49/386521449.db2.gz IAXPNOYMEFOKSA-NEPJUHHUSA-N 2 1 249.362 1.078 20 0 BDADMP CO[C@]1(C)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336725091 386460225 /nfs/dbraw/zinc/46/02/25/386460225.db2.gz MURRWDQKQJOMQJ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@]1(C)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336725091 386460231 /nfs/dbraw/zinc/46/02/31/386460231.db2.gz MURRWDQKQJOMQJ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@]1(C)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336725089 386460346 /nfs/dbraw/zinc/46/03/46/386460346.db2.gz MURRWDQKQJOMQJ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@]1(C)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336725089 386460352 /nfs/dbraw/zinc/46/03/52/386460352.db2.gz MURRWDQKQJOMQJ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000453404238 386589580 /nfs/dbraw/zinc/58/95/80/386589580.db2.gz PJJTXSQWQCWIGB-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000062911681 386531767 /nfs/dbraw/zinc/53/17/67/386531767.db2.gz PJWPFKQNUXFPQN-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H](C)C1 ZINC000417360151 386543742 /nfs/dbraw/zinc/54/37/42/386543742.db2.gz XDAAUNDTSVWJGL-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000063223695 386547324 /nfs/dbraw/zinc/54/73/24/386547324.db2.gz SOVDBYKAIABSIZ-TZMCWYRMSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000063223695 386547330 /nfs/dbraw/zinc/54/73/30/386547330.db2.gz SOVDBYKAIABSIZ-TZMCWYRMSA-N 2 1 233.359 1.826 20 0 BDADMP C[N@@H+](CCC1CCCCCC1)C[C@@H](O)C[NH3+] ZINC000415069241 386550941 /nfs/dbraw/zinc/55/09/41/386550941.db2.gz ONUOLCUKMQGKFG-ZDUSSCGKSA-N 2 1 228.380 1.598 20 0 BDADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])cc(OC)c1 ZINC000414802699 386597485 /nfs/dbraw/zinc/59/74/85/386597485.db2.gz LHJWLKGCPBPPSR-UHFFFAOYSA-N 2 1 238.331 1.531 20 0 BDADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)s1 ZINC000414793803 386555940 /nfs/dbraw/zinc/55/59/40/386555940.db2.gz FANIWPWTDIILAW-LLVKDONJSA-N 2 1 210.346 1.883 20 0 BDADMP Cc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])ccc1Cl ZINC000415073456 386559135 /nfs/dbraw/zinc/55/91/35/386559135.db2.gz YMGNVBNNZMJJGL-NSHDSACASA-N 2 1 242.750 1.400 20 0 BDADMP Cc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])ccc1Cl ZINC000415073456 386559144 /nfs/dbraw/zinc/55/91/44/386559144.db2.gz YMGNVBNNZMJJGL-NSHDSACASA-N 2 1 242.750 1.400 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267645043 386565323 /nfs/dbraw/zinc/56/53/23/386565323.db2.gz WOWDRMQGCJWSJB-LLVKDONJSA-N 2 1 245.330 1.523 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(C2CCOCC2)CC1 ZINC000335409374 386571344 /nfs/dbraw/zinc/57/13/44/386571344.db2.gz YCIAZEIQNGMKMO-LLVKDONJSA-N 2 1 226.364 1.472 20 0 BDADMP CCN1CCCC[C@H]1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415074295 386573561 /nfs/dbraw/zinc/57/35/61/386573561.db2.gz CGCOERKZDCZCHT-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP OCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000415112734 386619963 /nfs/dbraw/zinc/61/99/63/386619963.db2.gz DJYLQFMVVYIRGE-CQSZACIVSA-N 2 1 234.343 1.452 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000335497747 386622895 /nfs/dbraw/zinc/62/28/95/386622895.db2.gz YNBRQERSZDUVFZ-PELKAZGASA-N 2 1 208.280 1.750 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C[NH3+])C2CC2)CCO1 ZINC000414808335 386624145 /nfs/dbraw/zinc/62/41/45/386624145.db2.gz SEVZGTQMBANESW-RTXFEEFZSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@]1(C[NH2+]Cc2cccnc2)CC[NH2+]C1 ZINC000415100904 386624410 /nfs/dbraw/zinc/62/44/10/386624410.db2.gz IKFFYKJGULSIKZ-GFCCVEGCSA-N 2 1 205.305 1.171 20 0 BDADMP C[C@H]([NH3+])c1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414808992 386624551 /nfs/dbraw/zinc/62/45/51/386624551.db2.gz LQJYSEILVHVFSR-JTQLQIEISA-N 3 1 221.348 1.533 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000415126029 386627143 /nfs/dbraw/zinc/62/71/43/386627143.db2.gz LWDNJXXLLUKTKI-SYQHCUMBSA-N 3 1 239.407 1.291 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000415124932 386627193 /nfs/dbraw/zinc/62/71/93/386627193.db2.gz KOIQJWZCCLPISE-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000415124932 386627197 /nfs/dbraw/zinc/62/71/97/386627197.db2.gz KOIQJWZCCLPISE-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000414811035 386634986 /nfs/dbraw/zinc/63/49/86/386634986.db2.gz VYTBYHSUOKAFNH-LBPRGKRZSA-N 2 1 208.280 1.653 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CO)[C@H]2C)CC[NH2+]1 ZINC000415133975 386639973 /nfs/dbraw/zinc/63/99/73/386639973.db2.gz DAJKXHBNXUQZON-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414814566 386644938 /nfs/dbraw/zinc/64/49/38/386644938.db2.gz OBQWLINHRMOBQT-FRRDWIJNSA-N 3 1 227.396 1.482 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)COCC ZINC000414816341 386647012 /nfs/dbraw/zinc/64/70/12/386647012.db2.gz PMJXYLPSGDOHAW-QWRGUYRKSA-N 2 1 202.342 1.519 20 0 BDADMP Cc1ccc(CCC[NH2+][C@@H](C[NH3+])C2CC2)cn1 ZINC000414815460 386650537 /nfs/dbraw/zinc/65/05/37/386650537.db2.gz TZKDFJRZRYZTMC-AWEZNQCLSA-N 2 1 233.359 1.650 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@H](C)C1 ZINC000164387760 386604361 /nfs/dbraw/zinc/60/43/61/386604361.db2.gz AWDSUEGGDNNFMY-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000049311261 386604735 /nfs/dbraw/zinc/60/47/35/386604735.db2.gz IQKCKTPTWVIGKL-VIFPVBQESA-N 2 1 240.269 1.236 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000049311261 386604743 /nfs/dbraw/zinc/60/47/43/386604743.db2.gz IQKCKTPTWVIGKL-VIFPVBQESA-N 2 1 240.269 1.236 20 0 BDADMP Cc1cccc2ncc(C[NH2+]CC(C)(C)[NH3+])n21 ZINC000414806123 386605879 /nfs/dbraw/zinc/60/58/79/386605879.db2.gz PPSXRPYXOLQXBT-UHFFFAOYSA-N 2 1 232.331 1.470 20 0 BDADMP CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)[C@@H]1CCCO1 ZINC000415087649 386606721 /nfs/dbraw/zinc/60/67/21/386606721.db2.gz WHPXGYIJLKFGIS-RYUDHWBXSA-N 2 1 228.380 1.922 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)on1 ZINC000647978654 386613514 /nfs/dbraw/zinc/61/35/14/386613514.db2.gz WHAVLIWMDKXFCC-QWHCGFSZSA-N 2 1 249.358 1.886 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CCO ZINC000415096379 386614172 /nfs/dbraw/zinc/61/41/72/386614172.db2.gz PQGKNQMXOTYLSA-NWDGAFQWSA-N 2 1 214.353 1.207 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cn1cccn1 ZINC000414807254 386618859 /nfs/dbraw/zinc/61/88/59/386618859.db2.gz CKDNNJVDXLCMQZ-VXGBXAGGSA-N 2 1 224.352 1.379 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000337220023 386660118 /nfs/dbraw/zinc/66/01/18/386660118.db2.gz CYCZTEKCOHGEMJ-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000337220023 386660121 /nfs/dbraw/zinc/66/01/21/386660121.db2.gz CYCZTEKCOHGEMJ-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414925874 386662218 /nfs/dbraw/zinc/66/22/18/386662218.db2.gz KFQQALJRFOIFII-LOWDOPEQSA-N 2 1 226.364 1.389 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000352832188 386678202 /nfs/dbraw/zinc/67/82/02/386678202.db2.gz DZJZPMXREBHLTJ-UHFFFAOYSA-N 2 1 236.363 1.540 20 0 BDADMP C[NH2+]CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414823626 386678664 /nfs/dbraw/zinc/67/86/64/386678664.db2.gz IPHLONGSQUCIDW-JTQLQIEISA-N 2 1 210.296 1.738 20 0 BDADMP C[C@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414818067 386657467 /nfs/dbraw/zinc/65/74/67/386657467.db2.gz CQKRBQGDUFQDMB-CMPLNLGQSA-N 2 1 237.322 1.698 20 0 BDADMP CC(C)(C)C[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357071091 386710075 /nfs/dbraw/zinc/71/00/75/386710075.db2.gz BMLFNCRHOWLJFZ-GFCCVEGCSA-N 2 1 228.380 1.862 20 0 BDADMP CCc1ncc(C[NH2+]C[C@H](C)C[NH2+]C)s1 ZINC000414830633 386711274 /nfs/dbraw/zinc/71/12/74/386711274.db2.gz CEUJWLIEFMKGDU-SECBINFHSA-N 2 1 227.377 1.651 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCC1 ZINC000324953412 386702553 /nfs/dbraw/zinc/70/25/53/386702553.db2.gz CBZHHGRZNUTUIV-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP CCCCC[N@@H+](CCO)CCC[NH2+]C ZINC000336648995 386702772 /nfs/dbraw/zinc/70/27/72/386702772.db2.gz CSIRWJBSVWSGOU-UHFFFAOYSA-N 2 1 202.342 1.080 20 0 BDADMP Cc1cn[nH]c1CNC[C@H](C)C[NH+]1CCCC1 ZINC000352844308 386706513 /nfs/dbraw/zinc/70/65/13/386706513.db2.gz FRVWITWOEFQTOT-NSHDSACASA-N 2 1 236.363 1.540 20 0 BDADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CCOCC[NH3+])C1(C)C ZINC000357080461 386707372 /nfs/dbraw/zinc/70/73/72/386707372.db2.gz MIWHJIDWNDBMTM-DGCLKSJQSA-N 2 1 244.379 1.097 20 0 BDADMP C[NH2+]CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414832003 386718227 /nfs/dbraw/zinc/71/82/27/386718227.db2.gz QNEACCHZDQEMGV-ZFWWWQNUSA-N 2 1 247.386 1.316 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000044528007 386724040 /nfs/dbraw/zinc/72/40/40/386724040.db2.gz GHTUYFUNKGGGOK-ZDUSSCGKSA-N 2 1 246.354 1.792 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000414835512 386726346 /nfs/dbraw/zinc/72/63/46/386726346.db2.gz UYGKCKZKGKMLOV-GFCCVEGCSA-N 2 1 236.359 1.825 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C1CCOCC1)C1CCCCC1 ZINC000414841543 386755482 /nfs/dbraw/zinc/75/54/82/386755482.db2.gz NJSAADXXBMHUPC-CYBMUJFWSA-N 2 1 226.364 1.663 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc[nH+]1 ZINC000269254242 386765925 /nfs/dbraw/zinc/76/59/25/386765925.db2.gz IXDAMGBEDYEAIH-UWVGGRQHSA-N 2 1 248.330 1.214 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414929830 386741779 /nfs/dbraw/zinc/74/17/79/386741779.db2.gz OFNYFMKUFKQZSJ-MXQLGCADSA-N 2 1 208.280 1.776 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC1CCOCC1 ZINC000414934276 386790957 /nfs/dbraw/zinc/79/09/57/386790957.db2.gz SSUITVGAPIXECM-GXTWGEPZSA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000396601075 386788067 /nfs/dbraw/zinc/78/80/67/386788067.db2.gz AURDGLJZAUVHLZ-WRWGMCAJSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000414934349 386801373 /nfs/dbraw/zinc/80/13/73/386801373.db2.gz SWDQTEYBLFTPHF-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334775045 386827247 /nfs/dbraw/zinc/82/72/47/386827247.db2.gz DIEVHQQEJNEVLN-LLVKDONJSA-N 2 1 244.342 1.734 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(O)c1OC ZINC000414847412 386829914 /nfs/dbraw/zinc/82/99/14/386829914.db2.gz VUKQIIMZSKMWOI-SNVBAGLBSA-N 2 1 238.331 1.346 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000334784296 386842184 /nfs/dbraw/zinc/84/21/84/386842184.db2.gz BLBJMHGISWVOHF-RYUDHWBXSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000334784296 386842188 /nfs/dbraw/zinc/84/21/88/386842188.db2.gz BLBJMHGISWVOHF-RYUDHWBXSA-N 2 1 226.364 1.472 20 0 BDADMP CC1(C)CCCN[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000414937919 386856131 /nfs/dbraw/zinc/85/61/31/386856131.db2.gz XUPYTNRFJIXPHU-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH3+])C[C@@H]1C ZINC000414938972 386867490 /nfs/dbraw/zinc/86/74/90/386867490.db2.gz FTICLBCDIAWVBB-NNYUYHANSA-N 2 1 242.363 1.291 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C12CCC2 ZINC000308389204 386894797 /nfs/dbraw/zinc/89/47/97/386894797.db2.gz ICLYVSWTGUJJRB-CHWSQXEVSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000300043891 386882946 /nfs/dbraw/zinc/88/29/46/386882946.db2.gz ZVGPINTUKXLBDV-MNOVXSKESA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000300043891 386882950 /nfs/dbraw/zinc/88/29/50/386882950.db2.gz ZVGPINTUKXLBDV-MNOVXSKESA-N 2 1 200.326 1.081 20 0 BDADMP CC[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000302225855 386917666 /nfs/dbraw/zinc/91/76/66/386917666.db2.gz PBTFSIWYVZLRMO-UHFFFAOYSA-N 2 1 248.330 1.077 20 0 BDADMP COC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000334848142 386895778 /nfs/dbraw/zinc/89/57/78/386895778.db2.gz IMCYTYQNENJOIG-CXQJBGSLSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)CC2(C)C)CC[NH2+]1 ZINC000334853496 386903911 /nfs/dbraw/zinc/90/39/11/386903911.db2.gz DFCHGAFCIVIHLL-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000331996309 386939082 /nfs/dbraw/zinc/93/90/82/386939082.db2.gz OCAOOROJMAQXIW-VGMNWLOBSA-N 2 1 240.269 1.159 20 0 BDADMP C[C@@H]([NH2+]CCc1cnn(C)c1)[C@@H]1CCCC[NH2+]1 ZINC000395163391 386952439 /nfs/dbraw/zinc/95/24/39/386952439.db2.gz KBDNXDXQYSELDG-YPMHNXCESA-N 2 1 236.363 1.083 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000425363734 386972938 /nfs/dbraw/zinc/97/29/38/386972938.db2.gz XTVCDTNMNPLTEN-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000395205989 386999279 /nfs/dbraw/zinc/99/92/79/386999279.db2.gz ONNBQKKKQUOKAJ-MBNYWOFBSA-N 2 1 239.407 1.589 20 0 BDADMP CSc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000161982705 387034513 /nfs/dbraw/zinc/03/45/13/387034513.db2.gz GFLIVMNWIWWFJN-VIFPVBQESA-N 2 1 210.346 1.845 20 0 BDADMP C[C@@H]1CCCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000334965848 387047358 /nfs/dbraw/zinc/04/73/58/387047358.db2.gz ADEPKUJDKYIKEJ-CYBMUJFWSA-N 2 1 225.380 1.014 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCC2)CC[N@@H+]1C ZINC000359077103 387052917 /nfs/dbraw/zinc/05/29/17/387052917.db2.gz XUMISZBBYKKXTA-MRVWCRGKSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCC2)CC[N@H+]1C ZINC000359077103 387052922 /nfs/dbraw/zinc/05/29/22/387052922.db2.gz XUMISZBBYKKXTA-MRVWCRGKSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@]1(F)CNCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334969262 387053376 /nfs/dbraw/zinc/05/33/76/387053376.db2.gz BKTKSJWRVHPOKO-QWHCGFSZSA-N 3 1 243.370 1.010 20 0 BDADMP C[C@@]1(F)C[NH2+]CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334969262 387053380 /nfs/dbraw/zinc/05/33/80/387053380.db2.gz BKTKSJWRVHPOKO-QWHCGFSZSA-N 3 1 243.370 1.010 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])c2nccn21 ZINC000333319271 387026628 /nfs/dbraw/zinc/02/66/28/387026628.db2.gz UDIRNZUTEINCEH-KKOKHZNYSA-N 2 1 234.347 1.606 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000359224165 387068940 /nfs/dbraw/zinc/06/89/40/387068940.db2.gz RJGFAPJRCWNZKX-CQSZACIVSA-N 3 1 239.407 1.450 20 0 BDADMP c1ncc2c(n1)C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000359217481 387069373 /nfs/dbraw/zinc/06/93/73/387069373.db2.gz RZGWCQAJTYECJY-UHFFFAOYSA-N 2 1 246.358 1.224 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCCN1 ZINC000333883485 387070617 /nfs/dbraw/zinc/07/06/17/387070617.db2.gz WRMJQEVCFCZWLT-LOWDOPEQSA-N 2 1 225.380 1.234 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)CCOC1 ZINC000353079622 387071746 /nfs/dbraw/zinc/07/17/46/387071746.db2.gz KQTHHRJTTVCOPM-CQSZACIVSA-N 2 1 249.358 1.664 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334983746 387072120 /nfs/dbraw/zinc/07/21/20/387072120.db2.gz NKVCOHOCKFBTJU-OCCSQVGLSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334983746 387072121 /nfs/dbraw/zinc/07/21/21/387072121.db2.gz NKVCOHOCKFBTJU-OCCSQVGLSA-N 2 1 249.358 1.947 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423300535 387132554 /nfs/dbraw/zinc/13/25/54/387132554.db2.gz RSKUFBNKNKGQEG-XQQFMLRXSA-N 2 1 227.396 1.434 20 0 BDADMP CO[C@H](C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370003531 387081080 /nfs/dbraw/zinc/08/10/80/387081080.db2.gz BPYLFLFRWZIKDZ-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](CC)CCC ZINC000228329859 387081597 /nfs/dbraw/zinc/08/15/97/387081597.db2.gz MQKBBNRBBMOLIC-LBPRGKRZSA-N 2 1 243.395 1.352 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000111695583 387085661 /nfs/dbraw/zinc/08/56/61/387085661.db2.gz RXVCTGGENBYTOL-JSGCOSHPSA-N 2 1 233.359 1.683 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334994882 387086297 /nfs/dbraw/zinc/08/62/97/387086297.db2.gz WBLCTIRFOQMYFJ-HNNXBMFYSA-N 2 1 245.370 1.844 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCOCC(F)F)CC[N@H+]1C ZINC000188744128 387088034 /nfs/dbraw/zinc/08/80/34/387088034.db2.gz RNUAPQAQWMJXAQ-VHSXEESVSA-N 2 1 236.306 1.340 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335008955 387102412 /nfs/dbraw/zinc/10/24/12/387102412.db2.gz FKCJYXLMGBBTFM-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)n1 ZINC000335010423 387105152 /nfs/dbraw/zinc/10/51/52/387105152.db2.gz QEHMGBGNTZHNPH-CQSZACIVSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccn1 ZINC000335011434 387106397 /nfs/dbraw/zinc/10/63/97/387106397.db2.gz MBZJQDXSFPNGRN-VXGBXAGGSA-N 2 1 205.305 1.359 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC12CCC2)C1CC1 ZINC000352370014 387112709 /nfs/dbraw/zinc/11/27/09/387112709.db2.gz VNKUZTZQTOSRIY-ZDUSSCGKSA-N 2 1 238.375 1.460 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC12CCC2)C1CC1 ZINC000352370014 387112716 /nfs/dbraw/zinc/11/27/16/387112716.db2.gz VNKUZTZQTOSRIY-ZDUSSCGKSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC12CCC2)C1CC1 ZINC000352370014 387112722 /nfs/dbraw/zinc/11/27/22/387112722.db2.gz VNKUZTZQTOSRIY-ZDUSSCGKSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCCC12CCC2)C1CC1 ZINC000352370014 387112724 /nfs/dbraw/zinc/11/27/24/387112724.db2.gz VNKUZTZQTOSRIY-ZDUSSCGKSA-N 2 1 238.375 1.460 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250349726 387114672 /nfs/dbraw/zinc/11/46/72/387114672.db2.gz IWSGTHNHLUFWDW-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000250349726 387114676 /nfs/dbraw/zinc/11/46/76/387114676.db2.gz IWSGTHNHLUFWDW-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000335025735 387115873 /nfs/dbraw/zinc/11/58/73/387115873.db2.gz KPTLVZLKDWKOAQ-RYUDHWBXSA-N 2 1 205.305 1.359 20 0 BDADMP c1cnn(CCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000336789156 387119425 /nfs/dbraw/zinc/11/94/25/387119425.db2.gz INXLTJXDKCJALS-UHFFFAOYSA-N 2 1 248.374 1.490 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000423305749 387141671 /nfs/dbraw/zinc/14/16/71/387141671.db2.gz CQKRKZXSHIRPAO-QWHCGFSZSA-N 2 1 240.391 1.923 20 0 BDADMP CCc1nc(C)c([C@@H](C)[NH2+]CC2C[NH2+]C2)s1 ZINC000423308390 387144237 /nfs/dbraw/zinc/14/42/37/387144237.db2.gz XRYXQPNMWQSLCX-MRVPVSSYSA-N 2 1 239.388 1.884 20 0 BDADMP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c(F)cn1 ZINC000423312793 387152572 /nfs/dbraw/zinc/15/25/72/387152572.db2.gz VUJVICCBXVQJQS-BDAKNGLRSA-N 2 1 241.310 1.475 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423319535 387160770 /nfs/dbraw/zinc/16/07/70/387160770.db2.gz LQIFKOWFYMVULP-GWCFXTLKSA-N 2 1 219.332 1.778 20 0 BDADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccncc1 ZINC000423320276 387162156 /nfs/dbraw/zinc/16/21/56/387162156.db2.gz MHWAQQBJQIDJAV-JOYOIKCWSA-N 2 1 205.305 1.470 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423323722 387168406 /nfs/dbraw/zinc/16/84/06/387168406.db2.gz KDURKZSJVJKYHS-FVCCEPFGSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423327768 387169658 /nfs/dbraw/zinc/16/96/58/387169658.db2.gz NSTRIYKBGKSPJE-MXWKQRLJSA-N 2 1 202.317 1.842 20 0 BDADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423328507 387170850 /nfs/dbraw/zinc/17/08/50/387170850.db2.gz OGICHQWKKOKXDN-NXEZZACHSA-N 2 1 235.331 1.643 20 0 BDADMP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC000423329205 387171799 /nfs/dbraw/zinc/17/17/99/387171799.db2.gz OQOQBVGKCIPATB-SKDRFNHKSA-N 2 1 220.316 1.619 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CCO)C(C)(C)C)CC1 ZINC000229576800 387172853 /nfs/dbraw/zinc/17/28/53/387172853.db2.gz NSBNNVYERCHKBY-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1C ZINC000423335890 387183457 /nfs/dbraw/zinc/18/34/57/387183457.db2.gz SIAGTIOZCLHHGI-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000423335890 387183463 /nfs/dbraw/zinc/18/34/63/387183463.db2.gz SIAGTIOZCLHHGI-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[N@H+]1C ZINC000423335890 387183470 /nfs/dbraw/zinc/18/34/70/387183470.db2.gz SIAGTIOZCLHHGI-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(CO)c1 ZINC000423335390 387183763 /nfs/dbraw/zinc/18/37/63/387183763.db2.gz XGMNRZQAXXRCKR-QMTHXVAHSA-N 2 1 234.343 1.567 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423338424 387188075 /nfs/dbraw/zinc/18/80/75/387188075.db2.gz ZDVCWJHMBZTRNZ-NWDGAFQWSA-N 2 1 234.347 1.124 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)OCO2 ZINC000423339692 387188113 /nfs/dbraw/zinc/18/81/13/387188113.db2.gz WSZHXTQJSWINQW-JTQLQIEISA-N 2 1 248.326 1.947 20 0 BDADMP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1OC ZINC000423300934 387133086 /nfs/dbraw/zinc/13/30/86/387133086.db2.gz GAZZETLHHHVAFX-CYBMUJFWSA-N 2 1 234.343 1.955 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000300409937 387206087 /nfs/dbraw/zinc/20/60/87/387206087.db2.gz CQUOTEQPPQICLN-KGLIPLIRSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300409937 387206092 /nfs/dbraw/zinc/20/60/92/387206092.db2.gz CQUOTEQPPQICLN-KGLIPLIRSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300409937 387206100 /nfs/dbraw/zinc/20/61/00/387206100.db2.gz CQUOTEQPPQICLN-KGLIPLIRSA-N 2 1 241.423 1.789 20 0 BDADMP CCCCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423357346 387208462 /nfs/dbraw/zinc/20/84/62/387208462.db2.gz ABGWSNOSCURIOE-TUAOUCFPSA-N 2 1 228.380 1.907 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000300413151 387208692 /nfs/dbraw/zinc/20/86/92/387208692.db2.gz YVUYXBOQAJEYMW-FQUUOJAGSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1ncc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)n1 ZINC000423361189 387213349 /nfs/dbraw/zinc/21/33/49/387213349.db2.gz MEJZUUDLUCJDQH-GXFFZTMASA-N 2 1 248.374 1.886 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353517296 387219783 /nfs/dbraw/zinc/21/97/83/387219783.db2.gz JWOVRFWEGTWXDA-XJFOESAGSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353517294 387220418 /nfs/dbraw/zinc/22/04/18/387220418.db2.gz JWOVRFWEGTWXDA-RQJABVFESA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353528748 387223675 /nfs/dbraw/zinc/22/36/75/387223675.db2.gz HPJSAZKHDRNHMW-XJFOESAGSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423425481 387253140 /nfs/dbraw/zinc/25/31/40/387253140.db2.gz GUSFZPZFMTXWLU-WOPDTQHZSA-N 2 1 213.369 1.234 20 0 BDADMP Cc1nc(C[NH2+]CCOCC[NH+](C)C)cs1 ZINC000230005125 387226722 /nfs/dbraw/zinc/22/67/22/387226722.db2.gz HATIVZDHYIQYIG-UHFFFAOYSA-N 2 1 243.376 1.119 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423372523 387227276 /nfs/dbraw/zinc/22/72/76/387227276.db2.gz VXHSQNACFROTJP-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372523 387227278 /nfs/dbraw/zinc/22/72/78/387227278.db2.gz VXHSQNACFROTJP-YNEHKIRRSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372523 387227283 /nfs/dbraw/zinc/22/72/83/387227283.db2.gz VXHSQNACFROTJP-YNEHKIRRSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423396365 387233161 /nfs/dbraw/zinc/23/31/61/387233161.db2.gz NSTRIYKBGKSPJE-AXFHLTTASA-N 2 1 202.317 1.842 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000300687328 387236616 /nfs/dbraw/zinc/23/66/16/387236616.db2.gz LEGUNBJNQYZKBT-KBPBESRZSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000300687328 387236620 /nfs/dbraw/zinc/23/66/20/387236620.db2.gz LEGUNBJNQYZKBT-KBPBESRZSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000300687328 387236624 /nfs/dbraw/zinc/23/66/24/387236624.db2.gz LEGUNBJNQYZKBT-KBPBESRZSA-N 3 1 241.423 1.824 20 0 BDADMP c1cnn([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000336409500 387237949 /nfs/dbraw/zinc/23/79/49/387237949.db2.gz YNOMDLSGJMVJSR-ZIAGYGMSSA-N 2 1 248.374 1.520 20 0 BDADMP Cc1[nH]ncc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353615722 387242932 /nfs/dbraw/zinc/24/29/32/387242932.db2.gz AFJVCXQDEOPERH-UHFFFAOYSA-N 2 1 236.363 1.681 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C1CCC(C(F)F)CC1 ZINC000423406552 387242947 /nfs/dbraw/zinc/24/29/47/387242947.db2.gz UVDDZHVAIRMZOB-UEJVZZJDSA-N 2 1 206.280 1.747 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000514951561 387312589 /nfs/dbraw/zinc/31/25/89/387312589.db2.gz MPPBLYFVKOJCCJ-GFCCVEGCSA-N 2 1 248.374 1.922 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423466483 387315508 /nfs/dbraw/zinc/31/55/08/387315508.db2.gz AQGCKFVVEMJDQP-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430289 387254242 /nfs/dbraw/zinc/25/42/42/387254242.db2.gz KWLZZSLQNJYEQL-BARDWOONSA-N 2 1 228.339 1.871 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)[C@H](C)O1 ZINC000423382814 387265276 /nfs/dbraw/zinc/26/52/76/387265276.db2.gz ITSOFNSLHVDRDE-VOAKCMCISA-N 2 1 240.391 1.920 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423387017 387270750 /nfs/dbraw/zinc/27/07/50/387270750.db2.gz SGYXFJFDUMGSRB-QNWHQSFQSA-N 2 1 227.396 1.303 20 0 BDADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C[NH3+])CC1 ZINC000423388256 387274549 /nfs/dbraw/zinc/27/45/49/387274549.db2.gz ILEBOXVLMUDYAD-ZBOXLXRLSA-N 2 1 242.363 1.435 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000423390572 387276122 /nfs/dbraw/zinc/27/61/22/387276122.db2.gz WICOKKRLKDXFIL-OUAUKWLOSA-N 2 1 200.326 1.142 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423391034 387277319 /nfs/dbraw/zinc/27/73/19/387277319.db2.gz PAQPMOCZZHZPSW-SYQHCUMBSA-N 2 1 239.407 1.447 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000423396017 387281058 /nfs/dbraw/zinc/28/10/58/387281058.db2.gz SWPWMQCLRFBKOH-LMLFDSFASA-N 2 1 200.326 1.140 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[NH2+]C ZINC000423394604 387282080 /nfs/dbraw/zinc/28/20/80/387282080.db2.gz QJVGDUHPASCJFS-WOPDTQHZSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CCCO1 ZINC000423394262 387282262 /nfs/dbraw/zinc/28/22/62/387282262.db2.gz RXAATOJLNOZPMY-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000423432476 387283049 /nfs/dbraw/zinc/28/30/49/387283049.db2.gz MJYAQCSTMWWDLN-RQJABVFESA-N 2 1 216.328 1.945 20 0 BDADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423440144 387291136 /nfs/dbraw/zinc/29/11/36/387291136.db2.gz APKHPHNLOPUKDY-NWBUJAPZSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccsc1 ZINC000423444003 387292574 /nfs/dbraw/zinc/29/25/74/387292574.db2.gz WCYRAGJRWOFINT-CPOMMVLXSA-N 2 1 208.330 1.617 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000423450042 387299719 /nfs/dbraw/zinc/29/97/19/387299719.db2.gz HCIYYMJDEQVWHE-GRYCIOLGSA-N 2 1 213.369 1.234 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000423459912 387309437 /nfs/dbraw/zinc/30/94/37/387309437.db2.gz AHSYPFYPJULYFM-DGAVXFQQSA-N 2 1 239.407 1.624 20 0 BDADMP COCCC[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501528 387355158 /nfs/dbraw/zinc/35/51/58/387355158.db2.gz JPBWDGMJHCRTMU-VXGBXAGGSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H]1CCOC1 ZINC000423531459 387359050 /nfs/dbraw/zinc/35/90/50/387359050.db2.gz QJKRNKCRCBDTGU-CYZMBNFOSA-N 2 1 226.364 1.519 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000515305619 387361759 /nfs/dbraw/zinc/36/17/59/387361759.db2.gz CEBUMBFIBUJULP-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502355 387363160 /nfs/dbraw/zinc/36/31/60/387363160.db2.gz DHXJOVUFVZAICR-RYUDHWBXSA-N 3 1 213.369 1.236 20 0 BDADMP COCC1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000643502230 387364545 /nfs/dbraw/zinc/36/45/45/387364545.db2.gz AMCSRHGVJYDNKE-RUXDESIVSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502637 387366010 /nfs/dbraw/zinc/36/60/10/387366010.db2.gz LXXKBSCUQZQCOH-YPMHNXCESA-N 2 1 222.332 1.942 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000643502973 387367882 /nfs/dbraw/zinc/36/78/82/387367882.db2.gz WQKWIVHXXFQTLN-RWMBFGLXSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000423545675 387371228 /nfs/dbraw/zinc/37/12/28/387371228.db2.gz YHEVFNWONYCMSS-OCCSQVGLSA-N 2 1 237.391 1.416 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423553697 387371974 /nfs/dbraw/zinc/37/19/74/387371974.db2.gz KTQPUNRTJKZEPR-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423553665 387372981 /nfs/dbraw/zinc/37/29/81/387372981.db2.gz KQNYHZJUQCXYLN-UPJWGTAASA-N 2 1 237.391 1.343 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423553696 387373941 /nfs/dbraw/zinc/37/39/41/387373941.db2.gz KTQPUNRTJKZEPR-AXFHLTTASA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121516001 387375398 /nfs/dbraw/zinc/37/53/98/387375398.db2.gz MWCRWBASGYBQEY-YPMHNXCESA-N 2 1 239.363 1.842 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423566315 387376975 /nfs/dbraw/zinc/37/69/75/387376975.db2.gz UBUYHDUNTBABQD-MBNYWOFBSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC[C@@H]1CCOC1 ZINC000514973725 387323030 /nfs/dbraw/zinc/32/30/30/387323030.db2.gz ZBCPBKQDSKLRHJ-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC[C@@H]1CCOC1 ZINC000514973725 387323032 /nfs/dbraw/zinc/32/30/32/387323032.db2.gz ZBCPBKQDSKLRHJ-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC[C@@H]1CCOC1 ZINC000514973725 387323033 /nfs/dbraw/zinc/32/30/33/387323033.db2.gz ZBCPBKQDSKLRHJ-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC[C@@H]1CCOC1 ZINC000514973725 387323035 /nfs/dbraw/zinc/32/30/35/387323035.db2.gz ZBCPBKQDSKLRHJ-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423481998 387328034 /nfs/dbraw/zinc/32/80/34/387328034.db2.gz XHULNTMBVFANIN-RFQIPJPRSA-N 2 1 239.407 1.754 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423482393 387329954 /nfs/dbraw/zinc/32/99/54/387329954.db2.gz RLOOWWVOEMNNLS-UONOGXRCSA-N 2 1 239.407 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423484899 387331900 /nfs/dbraw/zinc/33/19/00/387331900.db2.gz RGQIDVOKKQEDET-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423484899 387331904 /nfs/dbraw/zinc/33/19/04/387331904.db2.gz RGQIDVOKKQEDET-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423503353 387342772 /nfs/dbraw/zinc/34/27/72/387342772.db2.gz FLLXCKDHWULKAX-NWDGAFQWSA-N 2 1 227.396 1.304 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423503355 387342914 /nfs/dbraw/zinc/34/29/14/387342914.db2.gz FLLXCKDHWULKAX-RYUDHWBXSA-N 2 1 227.396 1.304 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000423510328 387345237 /nfs/dbraw/zinc/34/52/37/387345237.db2.gz JNTPQTBMQPWHTF-REWJHTLYSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000423511995 387347228 /nfs/dbraw/zinc/34/72/28/387347228.db2.gz KSOXHRXJFXGLQO-RFGFWPKPSA-N 2 1 239.407 1.304 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000423522743 387353256 /nfs/dbraw/zinc/35/32/56/387353256.db2.gz RPHOSLVZSOJTNL-KBPBESRZSA-N 2 1 237.391 1.058 20 0 BDADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423520214 387353946 /nfs/dbraw/zinc/35/39/46/387353946.db2.gz PXJFIFUROMQAEG-BFHYXJOUSA-N 2 1 241.423 1.694 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@@H]1O ZINC000352665060 387425616 /nfs/dbraw/zinc/42/56/16/387425616.db2.gz DEVKFXBFFCBGPE-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCF ZINC000374419697 387452296 /nfs/dbraw/zinc/45/22/96/387452296.db2.gz IWTPLPHUARFGJK-JHJVBQTASA-N 2 1 244.354 1.530 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC000423777455 387422759 /nfs/dbraw/zinc/42/27/59/387422759.db2.gz RJZYONYBBGUMRA-NWDGAFQWSA-N 2 1 243.395 1.206 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000425364874 387526017 /nfs/dbraw/zinc/52/60/17/387526017.db2.gz ZSKDZBOBSHFZKA-WCFLWFBJSA-N 2 1 240.416 1.954 20 0 BDADMP CCCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368309 387526094 /nfs/dbraw/zinc/52/60/94/387526094.db2.gz VKLXMNCEBWEXAR-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cn1 ZINC000375334833 387529902 /nfs/dbraw/zinc/52/99/02/387529902.db2.gz DCAPRXXMNHXKOV-STQMWFEESA-N 2 1 235.331 1.527 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361803403 387538675 /nfs/dbraw/zinc/53/86/75/387538675.db2.gz FVQAGDXNLBQTFU-DGAVXFQQSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361803403 387538677 /nfs/dbraw/zinc/53/86/77/387538677.db2.gz FVQAGDXNLBQTFU-DGAVXFQQSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304329429 387464139 /nfs/dbraw/zinc/46/41/39/387464139.db2.gz UUMYMFUJBTZORV-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C1CCOCC1 ZINC000643507093 387474300 /nfs/dbraw/zinc/47/43/00/387474300.db2.gz RZRFNYRFHZRTKK-JTQLQIEISA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471309 387479795 /nfs/dbraw/zinc/47/97/95/387479795.db2.gz QZSNHBWHQYFBBN-WTIISPKJSA-N 2 1 226.364 1.125 20 0 BDADMP c1nc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c[nH]1 ZINC000336629775 387483357 /nfs/dbraw/zinc/48/33/57/387483357.db2.gz ZCNUWHUGRLOXMT-ZYHUDNBSSA-N 2 1 221.304 1.411 20 0 BDADMP c1ncc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)[nH]1 ZINC000336629775 387483361 /nfs/dbraw/zinc/48/33/61/387483361.db2.gz ZCNUWHUGRLOXMT-ZYHUDNBSSA-N 2 1 221.304 1.411 20 0 BDADMP CC[N@@H+](CCCc1ccc(C)nc1)CC(N)=O ZINC000355149553 387488180 /nfs/dbraw/zinc/48/81/80/387488180.db2.gz FZSPXJULPLJISK-UHFFFAOYSA-N 2 1 235.331 1.130 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000528761755 387594046 /nfs/dbraw/zinc/59/40/46/387594046.db2.gz ZNXFKUWZNGCFGQ-XZUYRWCXSA-N 2 1 237.347 1.364 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000422552944 387598548 /nfs/dbraw/zinc/59/85/48/387598548.db2.gz ITGQGXRNSMREFJ-IYXRBSQSSA-N 2 1 241.423 1.822 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422558189 387600998 /nfs/dbraw/zinc/60/09/98/387600998.db2.gz AIDVJPLDYUIYDZ-UMNHJUIQSA-N 2 1 236.363 1.523 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000422560107 387601038 /nfs/dbraw/zinc/60/10/38/387601038.db2.gz FQIGFLPUEXNZQH-WXHSDQCUSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000422560107 387601042 /nfs/dbraw/zinc/60/10/42/387601042.db2.gz FQIGFLPUEXNZQH-WXHSDQCUSA-N 2 1 248.374 1.590 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000422560695 387602752 /nfs/dbraw/zinc/60/27/52/387602752.db2.gz HPJZAZIKPIZKGK-MBNYWOFBSA-N 3 1 239.407 1.291 20 0 BDADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccn1 ZINC000527540538 387611983 /nfs/dbraw/zinc/61/19/83/387611983.db2.gz TXTRFAXDJSTASA-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccn1 ZINC000527540538 387611987 /nfs/dbraw/zinc/61/19/87/387611987.db2.gz TXTRFAXDJSTASA-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccn1 ZINC000527540538 387611989 /nfs/dbraw/zinc/61/19/89/387611989.db2.gz TXTRFAXDJSTASA-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccn1 ZINC000527540538 387611991 /nfs/dbraw/zinc/61/19/91/387611991.db2.gz TXTRFAXDJSTASA-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422699916 387615246 /nfs/dbraw/zinc/61/52/46/387615246.db2.gz FLAONTSDQYFUPT-UBHSHLNASA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000422700375 387616057 /nfs/dbraw/zinc/61/60/57/387616057.db2.gz GSHXRCQVNBUYOQ-ZDUSSCGKSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000422700375 387616060 /nfs/dbraw/zinc/61/60/60/387616060.db2.gz GSHXRCQVNBUYOQ-ZDUSSCGKSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000422699565 387616128 /nfs/dbraw/zinc/61/61/28/387616128.db2.gz DQQZMEZNALCFDC-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422701089 387616596 /nfs/dbraw/zinc/61/65/96/387616596.db2.gz BHGGXULCOVXGGB-MELADBBJSA-N 2 1 242.407 1.904 20 0 BDADMP Cc1cnc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000122930459 387619261 /nfs/dbraw/zinc/61/92/61/387619261.db2.gz TVFDTYWVXYPBEY-GXSJLCMTSA-N 2 1 239.388 1.881 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn2ccsc2n1 ZINC000422705336 387621652 /nfs/dbraw/zinc/62/16/52/387621652.db2.gz RGEAKOOZXMATCT-RKDXNWHRSA-N 2 1 238.360 1.611 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422708083 387622638 /nfs/dbraw/zinc/62/26/38/387622638.db2.gz BIVXBBUDJGFXOQ-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP COCC(C)(C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000426398784 387565946 /nfs/dbraw/zinc/56/59/46/387565946.db2.gz YMDIKJGKYAULRS-CYBMUJFWSA-N 2 1 242.407 1.933 20 0 BDADMP COCC(C)(C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000426398784 387565950 /nfs/dbraw/zinc/56/59/50/387565950.db2.gz YMDIKJGKYAULRS-CYBMUJFWSA-N 2 1 242.407 1.933 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2ccon2)CC1 ZINC000430553880 387627668 /nfs/dbraw/zinc/62/76/68/387627668.db2.gz DWHYTVLOPFVSOI-UHFFFAOYSA-N 2 1 223.320 1.496 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422719145 387630330 /nfs/dbraw/zinc/63/03/30/387630330.db2.gz XQFSFSNLCNHAHU-RNJOBUHISA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422718267 387631553 /nfs/dbraw/zinc/63/15/53/387631553.db2.gz WVSWJMDQARLFSC-CYDGBPFRSA-N 2 1 228.380 1.514 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422719459 387633086 /nfs/dbraw/zinc/63/30/86/387633086.db2.gz YEIBNUNKEXZUFT-STQMWFEESA-N 2 1 227.396 1.306 20 0 BDADMP CC(C)n1ccnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000430604903 387633330 /nfs/dbraw/zinc/63/33/30/387633330.db2.gz OZPGRILTMNYAFE-UHFFFAOYSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000042589493 387633512 /nfs/dbraw/zinc/63/35/12/387633512.db2.gz ZKNMHTVIQHFACG-QWHCGFSZSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000422720977 387633644 /nfs/dbraw/zinc/63/36/44/387633644.db2.gz NARVEVKYKJGRKB-AVGNSLFASA-N 3 1 227.396 1.434 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422730176 387637710 /nfs/dbraw/zinc/63/77/10/387637710.db2.gz LSJXDBMHAIJMDH-VXGBXAGGSA-N 3 1 215.385 1.434 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCN[C@H](C)C1C[NH2+]C1 ZINC000422729320 387638430 /nfs/dbraw/zinc/63/84/30/387638430.db2.gz KKICXXWOTUECHC-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000125245711 387649396 /nfs/dbraw/zinc/64/93/96/387649396.db2.gz OENZSRLYDCWJIW-AAEUAGOBSA-N 2 1 221.348 1.455 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000125245711 387649399 /nfs/dbraw/zinc/64/93/99/387649399.db2.gz OENZSRLYDCWJIW-AAEUAGOBSA-N 2 1 221.348 1.455 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000643518503 387649588 /nfs/dbraw/zinc/64/95/88/387649588.db2.gz QJIMMODFAJPSQJ-GWCFXTLKSA-N 2 1 236.363 1.758 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC2=CCCOC2)CC1 ZINC000125271917 387649989 /nfs/dbraw/zinc/64/99/89/387649989.db2.gz AQDQCZVVKOXDBK-UHFFFAOYSA-N 2 1 238.375 1.749 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC2=CCCOC2)CC1 ZINC000125271917 387649994 /nfs/dbraw/zinc/64/99/94/387649994.db2.gz AQDQCZVVKOXDBK-UHFFFAOYSA-N 2 1 238.375 1.749 20 0 BDADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000149255040 387650163 /nfs/dbraw/zinc/65/01/63/387650163.db2.gz XGKDXODWOBUAQE-WDEREUQCSA-N 2 1 200.326 1.095 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH3+])C[C@H]1C ZINC000430799143 387651558 /nfs/dbraw/zinc/65/15/58/387651558.db2.gz APCDWZGBANJMME-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000422748504 387653801 /nfs/dbraw/zinc/65/38/01/387653801.db2.gz UUUQOPCGUPUFNE-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1F ZINC000422749847 387655483 /nfs/dbraw/zinc/65/54/83/387655483.db2.gz BDERMMGQPWAEHT-NWDGAFQWSA-N 2 1 238.306 1.674 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422750593 387655665 /nfs/dbraw/zinc/65/56/65/387655665.db2.gz DIWHNVIBZCRFSC-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000422750269 387656933 /nfs/dbraw/zinc/65/69/33/387656933.db2.gz AJTWHVSZHYVMHJ-UTUOFQBUSA-N 2 1 248.326 1.296 20 0 BDADMP CSC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422751111 387656951 /nfs/dbraw/zinc/65/69/51/387656951.db2.gz FDUHJWVCJLUFKW-UTLUCORTSA-N 2 1 202.367 1.468 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422753279 387657721 /nfs/dbraw/zinc/65/77/21/387657721.db2.gz FZQJTFRXWMFCNN-RDBSUJKOSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422753279 387657727 /nfs/dbraw/zinc/65/77/27/387657727.db2.gz FZQJTFRXWMFCNN-RDBSUJKOSA-N 3 1 241.423 1.824 20 0 BDADMP Cc1cc(C[NH2+]CCC[NH+]2CCC2)ccn1 ZINC000527688271 387658275 /nfs/dbraw/zinc/65/82/75/387658275.db2.gz WYZMCBUZYWOCME-UHFFFAOYSA-N 2 1 219.332 1.575 20 0 BDADMP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000430887389 387659264 /nfs/dbraw/zinc/65/92/64/387659264.db2.gz FQMTYTKTCGXEMK-TUAOUCFPSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422753277 387659454 /nfs/dbraw/zinc/65/94/54/387659454.db2.gz FZQJTFRXWMFCNN-MCIONIFRSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422753277 387659456 /nfs/dbraw/zinc/65/94/56/387659456.db2.gz FZQJTFRXWMFCNN-MCIONIFRSA-N 3 1 241.423 1.824 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422759521 387663093 /nfs/dbraw/zinc/66/30/93/387663093.db2.gz PKCFATHUENIOKW-PIGZVRMJSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccs1 ZINC000422764607 387665075 /nfs/dbraw/zinc/66/50/75/387665075.db2.gz VHFWDZPIJJHSPT-CMPLNLGQSA-N 2 1 224.373 1.878 20 0 BDADMP CSCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422766412 387665860 /nfs/dbraw/zinc/66/58/60/387665860.db2.gz XETLYGJCXGMRIA-GHMZBOCLSA-N 2 1 216.394 1.717 20 0 BDADMP COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422768633 387668978 /nfs/dbraw/zinc/66/89/78/387668978.db2.gz ZIEVGAOYDLLFFI-WDEREUQCSA-N 2 1 234.343 1.954 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1c[nH+]ccc1N ZINC000422775734 387671755 /nfs/dbraw/zinc/67/17/55/387671755.db2.gz CEVCLSLMVTYSDM-COPLHBTASA-N 2 1 249.358 1.696 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422774425 387673575 /nfs/dbraw/zinc/67/35/75/387673575.db2.gz WZFWKUGDTYCBDS-MCIONIFRSA-N 2 1 239.407 1.720 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422782432 387680377 /nfs/dbraw/zinc/68/03/77/387680377.db2.gz MYHGBYHMHHSKSK-SRVKXCTJSA-N 2 1 214.353 1.124 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000126363952 387680412 /nfs/dbraw/zinc/68/04/12/387680412.db2.gz CZBKVARVXZXKDF-BXUZGUMPSA-N 2 1 238.375 1.485 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000126363048 387680811 /nfs/dbraw/zinc/68/08/11/387680811.db2.gz OQFXKPBXWNCVBU-OCCSQVGLSA-N 2 1 240.391 1.731 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422781139 387681076 /nfs/dbraw/zinc/68/10/76/387681076.db2.gz KLEOGUYBUDWRIY-VXGBXAGGSA-N 3 1 227.396 1.576 20 0 BDADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cnn(C)c1 ZINC000044494416 387682829 /nfs/dbraw/zinc/68/28/29/387682829.db2.gz MUZCLOVSNAETDI-LLVKDONJSA-N 2 1 238.379 1.659 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000422786372 387687853 /nfs/dbraw/zinc/68/78/53/387687853.db2.gz QHFWCOJUYPUTIN-MROQNXINSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H](CN[C@@H](C)C1C[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000422860300 387743514 /nfs/dbraw/zinc/74/35/14/387743514.db2.gz LIWCHEHGOKFIAX-AGIUHOORSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H](CN[C@@H](C)C1C[NH2+]C1)[N@H+]1CCCC[C@@H]1C ZINC000422860301 387743603 /nfs/dbraw/zinc/74/36/03/387743603.db2.gz LIWCHEHGOKFIAX-AVGNSLFASA-N 2 1 239.407 1.447 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CCCO)C1 ZINC000452117850 387746991 /nfs/dbraw/zinc/74/69/91/387746991.db2.gz IQBMBTLROCOSAB-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452117850 387746996 /nfs/dbraw/zinc/74/69/96/387746996.db2.gz IQBMBTLROCOSAB-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](CCCO)C1 ZINC000452117850 387747000 /nfs/dbraw/zinc/74/70/00/387747000.db2.gz IQBMBTLROCOSAB-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1C1CC1 ZINC000422871872 387749617 /nfs/dbraw/zinc/74/96/17/387749617.db2.gz ZXQXANVCUAXFRP-NMKXLXIOSA-N 2 1 237.391 1.199 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422875070 387751856 /nfs/dbraw/zinc/75/18/56/387751856.db2.gz BNOULMWJULAZBG-NSHDSACASA-N 2 1 236.363 1.485 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422802692 387701197 /nfs/dbraw/zinc/70/11/97/387701197.db2.gz BSGKIDMWPWDWQU-QWHCGFSZSA-N 2 1 240.391 1.517 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000422805748 387705080 /nfs/dbraw/zinc/70/50/80/387705080.db2.gz HHTYTDZCYACAHY-UTUOFQBUSA-N 2 1 228.380 1.778 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422807574 387705111 /nfs/dbraw/zinc/70/51/11/387705111.db2.gz MUHLFBQSLPFIDS-UTUOFQBUSA-N 2 1 214.353 1.388 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C12CC(C1)CO2 ZINC000527790430 387714545 /nfs/dbraw/zinc/71/45/45/387714545.db2.gz OGEZLYQZONGGLN-QPPOZKHWSA-N 2 1 236.359 1.382 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127491125 387716554 /nfs/dbraw/zinc/71/65/54/387716554.db2.gz HQXKSUSEKWSSAB-MCIONIFRSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000452069429 387722871 /nfs/dbraw/zinc/72/28/71/387722871.db2.gz MQWZCUKOGFWYLI-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422828117 387724260 /nfs/dbraw/zinc/72/42/60/387724260.db2.gz SVVDCGCXIUNUDV-ZIAGYGMSSA-N 2 1 241.423 1.968 20 0 BDADMP CC(C)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115548447 387725222 /nfs/dbraw/zinc/72/52/22/387725222.db2.gz QXBMSLXPVUFNPW-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(CC)CC ZINC000422835068 387729741 /nfs/dbraw/zinc/72/97/41/387729741.db2.gz IDNFIFLIHBOZFS-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422835735 387729794 /nfs/dbraw/zinc/72/97/94/387729794.db2.gz IZAAMTCDUQSORD-BZPMIXESSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422879896 387756647 /nfs/dbraw/zinc/75/66/47/387756647.db2.gz WBSISLKSWHPWSO-WVWOOGAGSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422879896 387756652 /nfs/dbraw/zinc/75/66/52/387756652.db2.gz WBSISLKSWHPWSO-WVWOOGAGSA-N 2 1 237.391 1.186 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000643523528 387729961 /nfs/dbraw/zinc/72/99/61/387729961.db2.gz RGMMZRXFYMNPBM-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422844382 387732600 /nfs/dbraw/zinc/73/26/00/387732600.db2.gz LPJGQHVBZBFONR-SDDRHHMPSA-N 2 1 222.336 1.002 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)[C@H]1CCC[NH2+]1 ZINC000422844381 387733342 /nfs/dbraw/zinc/73/33/42/387733342.db2.gz LPJGQHVBZBFONR-QJPTWQEYSA-N 2 1 222.336 1.002 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422878978 387755896 /nfs/dbraw/zinc/75/58/96/387755896.db2.gz LPEDEWGNDTXWPK-ZIAGYGMSSA-N 2 1 241.423 1.824 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000356880418 387739166 /nfs/dbraw/zinc/73/91/66/387739166.db2.gz UJVRPRFQKKKRES-MCIONIFRSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422857399 387740048 /nfs/dbraw/zinc/74/00/48/387740048.db2.gz HIVKSHLLFYIYLF-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422857397 387742131 /nfs/dbraw/zinc/74/21/31/387742131.db2.gz HIVKSHLLFYIYLF-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1C[NH2+]C1 ZINC000422892433 387763341 /nfs/dbraw/zinc/76/33/41/387763341.db2.gz YNYLHUIDMYPZCY-XQQFMLRXSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000129107681 387764518 /nfs/dbraw/zinc/76/45/18/387764518.db2.gz DBNRQVQADPTEBZ-IGQOVBAYSA-N 2 1 238.375 1.628 20 0 BDADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527545 387766465 /nfs/dbraw/zinc/76/64/65/387766465.db2.gz OIHXSPNHSKNMMI-QPUJVOFHSA-N 2 1 238.306 1.758 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422904252 387767488 /nfs/dbraw/zinc/76/74/88/387767488.db2.gz GNCBGPRXOGLXKM-AGIUHOORSA-N 2 1 227.396 1.447 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422910129 387768480 /nfs/dbraw/zinc/76/84/80/387768480.db2.gz PVWLZNAGFHXQQP-TUAOUCFPSA-N 2 1 215.385 1.432 20 0 BDADMP CN(C)c1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422911030 387768830 /nfs/dbraw/zinc/76/88/30/387768830.db2.gz JWODGWJZEGKAKG-STQMWFEESA-N 2 1 233.359 1.722 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909505 387769357 /nfs/dbraw/zinc/76/93/57/387769357.db2.gz OEZNWYRHNOBTCS-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422909500 387769627 /nfs/dbraw/zinc/76/96/27/387769627.db2.gz OEZNWYRHNOBTCS-BFHYXJOUSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422909501 387769927 /nfs/dbraw/zinc/76/99/27/387769927.db2.gz OEZNWYRHNOBTCS-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000643529245 387772582 /nfs/dbraw/zinc/77/25/82/387772582.db2.gz XNCSBEDQPZWJNZ-PELKAZGASA-N 2 1 208.280 1.750 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422901114 387784545 /nfs/dbraw/zinc/78/45/45/387784545.db2.gz BPTVCWJSMAWKDS-HZSPNIEDSA-N 2 1 241.423 1.694 20 0 BDADMP COC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432357870 387785101 /nfs/dbraw/zinc/78/51/01/387785101.db2.gz NLEAAWUVOCWBOG-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP COC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432357870 387785105 /nfs/dbraw/zinc/78/51/05/387785105.db2.gz NLEAAWUVOCWBOG-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000527975264 387812721 /nfs/dbraw/zinc/81/27/21/387812721.db2.gz SWNDGHFOOWYMSO-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422978923 387788870 /nfs/dbraw/zinc/78/88/70/387788870.db2.gz KZBGZEPWFMJSPO-YWPYICTPSA-N 2 1 248.370 1.911 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422983243 387793271 /nfs/dbraw/zinc/79/32/71/387793271.db2.gz ZCLMYLRFDMORRB-JOYOIKCWSA-N 2 1 223.320 1.306 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422982956 387794331 /nfs/dbraw/zinc/79/43/31/387794331.db2.gz YHECQWHNYFFSMT-MJBXVCDLSA-N 2 1 242.407 1.761 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000527931579 387794931 /nfs/dbraw/zinc/79/49/31/387794931.db2.gz SZBITTKMMQBHFW-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422964322 387813099 /nfs/dbraw/zinc/81/30/99/387813099.db2.gz LISFVMBNAJVMEE-QWHCGFSZSA-N 2 1 227.396 1.304 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000051627712 387800495 /nfs/dbraw/zinc/80/04/95/387800495.db2.gz QTVQBQWADZACIK-KBPBESRZSA-N 2 1 236.359 1.650 20 0 BDADMP CC[C@@H](NCC[N@@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422880874 387757529 /nfs/dbraw/zinc/75/75/29/387757529.db2.gz PEAXIEQMZNPQPA-OLZOCXBDSA-N 2 1 227.396 1.447 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000422880749 387758325 /nfs/dbraw/zinc/75/83/25/387758325.db2.gz MPRPYXMGHDRKQI-RVMXOQNASA-N 2 1 225.380 1.329 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422974473 387824041 /nfs/dbraw/zinc/82/40/41/387824041.db2.gz RCEZBMWNDJREJI-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422974473 387824045 /nfs/dbraw/zinc/82/40/45/387824045.db2.gz RCEZBMWNDJREJI-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422974473 387824046 /nfs/dbraw/zinc/82/40/46/387824046.db2.gz RCEZBMWNDJREJI-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422975084 387824066 /nfs/dbraw/zinc/82/40/66/387824066.db2.gz SHROYWZXLZCQRG-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422975083 387824155 /nfs/dbraw/zinc/82/41/55/387824155.db2.gz SHROYWZXLZCQRG-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567110351 387824613 /nfs/dbraw/zinc/82/46/13/387824613.db2.gz AEODSVSDQFAYOH-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000423003566 387826703 /nfs/dbraw/zinc/82/67/03/387826703.db2.gz HXWKKHKFXUJYRP-XQHKEYJVSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccncc1 ZINC000423009164 387831226 /nfs/dbraw/zinc/83/12/26/387831226.db2.gz VALQMULABKNIKA-DGCLKSJQSA-N 2 1 219.332 1.212 20 0 BDADMP CCc1noc(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442752678 387833955 /nfs/dbraw/zinc/83/39/55/387833955.db2.gz FGTAVSBSJXBWSL-MWLCHTKSSA-N 2 1 237.347 1.715 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CCCC(C)(C)C1 ZINC000423073291 387873497 /nfs/dbraw/zinc/87/34/97/387873497.db2.gz ILRJBRDONHMLGS-STQMWFEESA-N 2 1 241.423 1.824 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCCC(C)(C)C1 ZINC000423073291 387873501 /nfs/dbraw/zinc/87/35/01/387873501.db2.gz ILRJBRDONHMLGS-STQMWFEESA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423016345 387838633 /nfs/dbraw/zinc/83/86/33/387838633.db2.gz MHYCRCKLMKWQAJ-JHJVBQTASA-N 2 1 240.391 1.514 20 0 BDADMP Cc1cnccc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423014834 387839099 /nfs/dbraw/zinc/83/90/99/387839099.db2.gz PSIXYDUCHIMUAX-SMDDNHRTSA-N 2 1 233.359 1.520 20 0 BDADMP CC[C@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCC[NH2+]1 ZINC000423033001 387849675 /nfs/dbraw/zinc/84/96/75/387849675.db2.gz FYNLQPYJYDBXTK-STQMWFEESA-N 2 1 236.363 1.083 20 0 BDADMP CC[C@H]([NH2+]CCOC(C)C)[C@@H]1CCC[NH2+]1 ZINC000423041450 387855695 /nfs/dbraw/zinc/85/56/95/387855695.db2.gz XGFINXNPEAQSHI-RYUDHWBXSA-N 2 1 214.353 1.532 20 0 BDADMP C[N@@H+]1C[C@H]2CN(CCOc3ccccc3)C[C@H]2C1 ZINC000193640724 387860008 /nfs/dbraw/zinc/86/00/08/387860008.db2.gz LWLKBRPMSDMSOL-OKILXGFUSA-N 2 1 246.354 1.559 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccccc3)C[C@@H]2C1 ZINC000193640724 387860012 /nfs/dbraw/zinc/86/00/12/387860012.db2.gz LWLKBRPMSDMSOL-OKILXGFUSA-N 2 1 246.354 1.559 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccccc3)C[C@@H]2C1 ZINC000193640724 387860014 /nfs/dbraw/zinc/86/00/14/387860014.db2.gz LWLKBRPMSDMSOL-OKILXGFUSA-N 2 1 246.354 1.559 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ncccc1F ZINC000423002903 387862727 /nfs/dbraw/zinc/86/27/27/387862727.db2.gz ZUJLYBXLKMPPKE-GHMZBOCLSA-N 2 1 239.294 1.069 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423059571 387864295 /nfs/dbraw/zinc/86/42/95/387864295.db2.gz FVTLSHNTHOKAJQ-RHYQMDGZSA-N 2 1 212.337 1.020 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423059076 387866120 /nfs/dbraw/zinc/86/61/20/387866120.db2.gz KZKYYYBPETXQRN-STQMWFEESA-N 2 1 239.407 1.720 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536423 387867116 /nfs/dbraw/zinc/86/71/16/387867116.db2.gz QSBOSGMPWDYXEK-JHJVBQTASA-N 2 1 237.391 1.378 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423069799 387872448 /nfs/dbraw/zinc/87/24/48/387872448.db2.gz MFLANNUNQYODGV-LNFKQOIKSA-N 2 1 200.326 1.140 20 0 BDADMP CC(C)[N@H+](C)CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422963149 387814350 /nfs/dbraw/zinc/81/43/50/387814350.db2.gz HRPIBUXEQUJDNJ-RYUDHWBXSA-N 2 1 215.385 1.432 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422963149 387814354 /nfs/dbraw/zinc/81/43/54/387814354.db2.gz HRPIBUXEQUJDNJ-RYUDHWBXSA-N 3 1 215.385 1.432 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422963149 387814357 /nfs/dbraw/zinc/81/43/57/387814357.db2.gz HRPIBUXEQUJDNJ-RYUDHWBXSA-N 3 1 215.385 1.432 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422969256 387818263 /nfs/dbraw/zinc/81/82/63/387818263.db2.gz ZIULBFXMUZZKFW-KBPBESRZSA-N 2 1 241.423 1.966 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC000194539432 387890565 /nfs/dbraw/zinc/89/05/65/387890565.db2.gz MCZKIKLFKAQWFA-MCIONIFRSA-N 2 1 220.360 1.836 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC000194539432 387890567 /nfs/dbraw/zinc/89/05/67/387890567.db2.gz MCZKIKLFKAQWFA-MCIONIFRSA-N 2 1 220.360 1.836 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC000194539432 387890572 /nfs/dbraw/zinc/89/05/72/387890572.db2.gz MCZKIKLFKAQWFA-MCIONIFRSA-N 2 1 220.360 1.836 20 0 BDADMP OC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000236486321 387891253 /nfs/dbraw/zinc/89/12/53/387891253.db2.gz BYYJGGBDYQOCLF-DCBWTQNWSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H]([NH2+]CCCOC(F)F)c1c[nH+]ccc1N ZINC000423108789 387894438 /nfs/dbraw/zinc/89/44/38/387894438.db2.gz GKPBKUGXDMNPKW-QMMMGPOBSA-N 2 1 245.273 1.774 20 0 BDADMP COCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423116279 387898983 /nfs/dbraw/zinc/89/89/83/387898983.db2.gz PDEMUCTZDQAMAN-VXGBXAGGSA-N 2 1 226.364 1.391 20 0 BDADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423077041 387876082 /nfs/dbraw/zinc/87/60/82/387876082.db2.gz LERNMGPIABYQGH-QLFBSQMISA-N 2 1 246.354 1.716 20 0 BDADMP CC[C@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C)C1)OC ZINC000322502271 387876172 /nfs/dbraw/zinc/87/61/72/387876172.db2.gz GKXVQPKNXTUNFX-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H]([NH2+]CCc1cnccn1)[C@H]1CCCC[NH2+]1 ZINC000423085601 387879833 /nfs/dbraw/zinc/87/98/33/387879833.db2.gz KWTTUAVXMHSCCO-UONOGXRCSA-N 2 1 248.374 1.529 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423089353 387880473 /nfs/dbraw/zinc/88/04/73/387880473.db2.gz UXPPWWYGZMENQR-IYXRBSQSSA-N 3 1 241.423 1.824 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423085816 387880622 /nfs/dbraw/zinc/88/06/22/387880622.db2.gz LJKMBAHEHDUCPJ-QWHCGFSZSA-N 3 1 229.412 1.824 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000423127842 387904711 /nfs/dbraw/zinc/90/47/11/387904711.db2.gz PQNASZRLMJPQHD-UTUOFQBUSA-N 2 1 228.405 1.717 20 0 BDADMP COCC1(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423128782 387906883 /nfs/dbraw/zinc/90/68/83/387906883.db2.gz DLGOFNJZTNXIJA-STQMWFEESA-N 2 1 240.391 1.781 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000236867351 387911074 /nfs/dbraw/zinc/91/10/74/387911074.db2.gz NGGXGFSDFQCAJL-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000236867351 387911080 /nfs/dbraw/zinc/91/10/80/387911080.db2.gz NGGXGFSDFQCAJL-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423133484 387912471 /nfs/dbraw/zinc/91/24/71/387912471.db2.gz KTKZAMLWTGQAJQ-UMSGYPCISA-N 2 1 244.354 1.481 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000423137318 387913960 /nfs/dbraw/zinc/91/39/60/387913960.db2.gz QTXXFCOYTVBETF-WXHSDQCUSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)[C@H]1CCC[NH2+]1 ZINC000423139287 387915916 /nfs/dbraw/zinc/91/59/16/387915916.db2.gz VGWKURKQENUHOR-HOSYDEDBSA-N 2 1 235.331 1.578 20 0 BDADMP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cc[nH]c(=O)c1 ZINC000423139285 387916880 /nfs/dbraw/zinc/91/68/80/387916880.db2.gz VGWKURKQENUHOR-CKYFFXLPSA-N 2 1 235.331 1.578 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)[C@@H]1CCC[NH2+]1 ZINC000423139292 387917099 /nfs/dbraw/zinc/91/70/99/387917099.db2.gz VGWKURKQENUHOR-UMNHJUIQSA-N 2 1 235.331 1.578 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000423151861 387929326 /nfs/dbraw/zinc/92/93/26/387929326.db2.gz DAQJVEJBKFFXER-ZDEQEGDKSA-N 2 1 228.380 1.778 20 0 BDADMP CCCc1ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])o1 ZINC000423151730 387929448 /nfs/dbraw/zinc/92/94/48/387929448.db2.gz DOHIEXBFFPGCLU-UWVGGRQHSA-N 2 1 225.336 1.843 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000459410485 387936782 /nfs/dbraw/zinc/93/67/82/387936782.db2.gz RZZALCTUEMBWRS-ZIAGYGMSSA-N 2 1 249.358 1.510 20 0 BDADMP CCC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)OC ZINC000423147740 387924575 /nfs/dbraw/zinc/92/45/75/387924575.db2.gz SRGDTSCRKPRZOZ-MNOVXSKESA-N 2 1 237.347 1.960 20 0 BDADMP CC[C@@H](C)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000245528383 387955755 /nfs/dbraw/zinc/95/57/55/387955755.db2.gz DVXYWQZCEJVORA-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423158422 387939803 /nfs/dbraw/zinc/93/98/03/387939803.db2.gz WSYPEUIDKOUVIX-JWURUJNWSA-N 2 1 237.391 1.199 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423160506 387941502 /nfs/dbraw/zinc/94/15/02/387941502.db2.gz HPCKHZHLHUCBTL-WUHRBBMRSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423162358 387944195 /nfs/dbraw/zinc/94/41/95/387944195.db2.gz KSMXLBTUQQIHLS-LPTSXCQYSA-N 2 1 208.349 1.620 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645802430 387946562 /nfs/dbraw/zinc/94/65/62/387946562.db2.gz MVTPCVHTVDMUBU-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170880 387957849 /nfs/dbraw/zinc/95/78/49/387957849.db2.gz NAEWIVHUIZEIFZ-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H](NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170880 387957852 /nfs/dbraw/zinc/95/78/52/387957852.db2.gz NAEWIVHUIZEIFZ-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170880 387957856 /nfs/dbraw/zinc/95/78/56/387957856.db2.gz NAEWIVHUIZEIFZ-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[C@@H]([NH2+]CC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423175741 387962736 /nfs/dbraw/zinc/96/27/36/387962736.db2.gz BAJHUZHWVKXHMV-GFCCVEGCSA-N 2 1 249.314 1.779 20 0 BDADMP Cc1ccccc1C[C@H]([NH2+]CC[NH3+])C1CC1 ZINC000423176422 387962947 /nfs/dbraw/zinc/96/29/47/387962947.db2.gz CFOXUKDKMPQSEV-AWEZNQCLSA-N 2 1 218.344 1.864 20 0 BDADMP C[NH+]1CCC([NH2+]CCCCn2ccnc2)CC1 ZINC000045094444 387964060 /nfs/dbraw/zinc/96/40/60/387964060.db2.gz AXJQSZKNEFZHRQ-UHFFFAOYSA-N 2 1 236.363 1.347 20 0 BDADMP CCOCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000158880178 387968187 /nfs/dbraw/zinc/96/81/87/387968187.db2.gz IXMLDYVMQAUHIR-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000158880178 387968191 /nfs/dbraw/zinc/96/81/91/387968191.db2.gz IXMLDYVMQAUHIR-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000423186880 387970744 /nfs/dbraw/zinc/97/07/44/387970744.db2.gz PDZILEDJASJSRZ-GUTXKFCHSA-N 2 1 246.354 1.750 20 0 BDADMP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CC[NH3+] ZINC000423189222 387974401 /nfs/dbraw/zinc/97/44/01/387974401.db2.gz QPDCNXZGSJZGQZ-UONOGXRCSA-N 2 1 248.370 1.919 20 0 BDADMP CC(C)O[C@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C ZINC000423190982 387976195 /nfs/dbraw/zinc/97/61/95/387976195.db2.gz TXHNALKLABGQQA-UWVGGRQHSA-N 2 1 200.326 1.127 20 0 BDADMP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(F)cn1 ZINC000423204074 387988901 /nfs/dbraw/zinc/98/89/01/387988901.db2.gz UGXWVZPPGSISFP-LLVKDONJSA-N 2 1 225.311 1.871 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CC1CCCCC1 ZINC000086435501 135084053 /nfs/dbraw/zinc/08/40/53/135084053.db2.gz DRAZVRDULCIQFW-UHFFFAOYSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1N ZINC000424368695 387992253 /nfs/dbraw/zinc/99/22/53/387992253.db2.gz AEURYBXOVOJKQA-IJLUTSLNSA-N 2 1 213.369 1.363 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000423208071 387994182 /nfs/dbraw/zinc/99/41/82/387994182.db2.gz YQIPJKZQZGKHTQ-NSHDSACASA-N 2 1 224.352 1.724 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424375409 387998953 /nfs/dbraw/zinc/99/89/53/387998953.db2.gz NBTJCQZACCZERZ-AAVRWANBSA-N 3 1 237.391 1.473 20 0 BDADMP C1CCC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423219975 388001745 /nfs/dbraw/zinc/00/17/45/388001745.db2.gz XEDDERFOHLEGNT-FVCCEPFGSA-N 2 1 236.359 1.286 20 0 BDADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cn1 ZINC000423222645 388004752 /nfs/dbraw/zinc/00/47/52/388004752.db2.gz BYXIZRCKIQCYKT-DTWKUNHWSA-N 2 1 211.284 1.609 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000156589491 388007172 /nfs/dbraw/zinc/00/71/72/388007172.db2.gz WYJMVCXMDXEIPF-WXHSDQCUSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000156589491 388007177 /nfs/dbraw/zinc/00/71/77/388007177.db2.gz WYJMVCXMDXEIPF-WXHSDQCUSA-N 2 1 226.364 1.484 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH2+]C)C12CCCC2 ZINC000423226650 388008971 /nfs/dbraw/zinc/00/89/71/388008971.db2.gz RPDNSJUNBGVDQZ-VXGBXAGGSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423226562 388009126 /nfs/dbraw/zinc/00/91/26/388009126.db2.gz REHKSGPCAMNLLM-IGQOVBAYSA-N 3 1 239.407 1.624 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)CC[N@@H+]1C ZINC000156610300 388010050 /nfs/dbraw/zinc/01/00/50/388010050.db2.gz CFDCVPUVCOYHBM-GRYCIOLGSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)CC[N@H+]1C ZINC000156610300 388010054 /nfs/dbraw/zinc/01/00/54/388010054.db2.gz CFDCVPUVCOYHBM-GRYCIOLGSA-N 2 1 228.405 1.954 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423216105 387996629 /nfs/dbraw/zinc/99/66/29/387996629.db2.gz PLCPOCSXHZXXPX-SYCZCVCYSA-N 2 1 237.391 1.199 20 0 BDADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000423229115 388015140 /nfs/dbraw/zinc/01/51/40/388015140.db2.gz AIKJPQUFMVVXMF-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@H]2CCC[C@@H]21 ZINC000423229543 388015976 /nfs/dbraw/zinc/01/59/76/388015976.db2.gz BLDZYQWTPAHNLR-CRWXNKLISA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@H](CCO)[NH2+]C1CC[NH+](CC)CC1 ZINC000156803288 388036264 /nfs/dbraw/zinc/03/62/64/388036264.db2.gz IYAJEMXOYYZUFA-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP Cc1cccc(N2CCC[C@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000082647354 388038648 /nfs/dbraw/zinc/03/86/48/388038648.db2.gz HRWVAAVQSIDJFH-NEPJUHHUSA-N 2 1 219.332 1.954 20 0 BDADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423243707 388027000 /nfs/dbraw/zinc/02/70/00/388027000.db2.gz WYUDHAORDJHPCD-CHWSQXEVSA-N 2 1 236.363 1.249 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423246581 388029867 /nfs/dbraw/zinc/02/98/67/388029867.db2.gz NZXRWDFDARJOPK-FRRDWIJNSA-N 2 1 226.364 1.391 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)C1CC1 ZINC000423274961 388054812 /nfs/dbraw/zinc/05/48/12/388054812.db2.gz KZPNUXVGFQMURN-KBPBESRZSA-N 2 1 246.354 1.707 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423274694 388055373 /nfs/dbraw/zinc/05/53/73/388055373.db2.gz KUEURNKSHIPLRJ-FIQHERPVSA-N 3 1 213.369 1.219 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000423274343 388055832 /nfs/dbraw/zinc/05/58/32/388055832.db2.gz MAEBTOWYFZZQMD-NXEZZACHSA-N 2 1 225.311 1.727 20 0 BDADMP COC[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453389992 388067424 /nfs/dbraw/zinc/06/74/24/388067424.db2.gz CPXUYMKHQZYXRK-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCSC1 ZINC000261527409 135152238 /nfs/dbraw/zinc/15/22/38/135152238.db2.gz AVZOJQYGYCJSHS-GMTAPVOTSA-N 2 1 214.378 1.409 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423285403 388068647 /nfs/dbraw/zinc/06/86/47/388068647.db2.gz ZMTSQMIMEBELPP-DGAVXFQQSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423285403 388068650 /nfs/dbraw/zinc/06/86/50/388068650.db2.gz ZMTSQMIMEBELPP-DGAVXFQQSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423285403 388068655 /nfs/dbraw/zinc/06/86/55/388068655.db2.gz ZMTSQMIMEBELPP-DGAVXFQQSA-N 3 1 239.407 1.304 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)[C@@H](C)C1 ZINC000453400765 388071954 /nfs/dbraw/zinc/07/19/54/388071954.db2.gz CZCJAVCMILGXAC-CRWXNKLISA-N 2 1 240.391 1.874 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423288021 388073438 /nfs/dbraw/zinc/07/34/38/388073438.db2.gz PYGVFIRQOBNQGQ-RYUDHWBXSA-N 2 1 227.396 1.576 20 0 BDADMP COC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000453402822 388073885 /nfs/dbraw/zinc/07/38/85/388073885.db2.gz NYDKSRVNCKOPEJ-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000423290599 388075114 /nfs/dbraw/zinc/07/51/14/388075114.db2.gz DROYLRYEWBDURX-SECBINFHSA-N 2 1 210.325 1.578 20 0 BDADMP COCC[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453409449 388075711 /nfs/dbraw/zinc/07/57/11/388075711.db2.gz UFYSBZDOGMMNNE-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000336658975 388083260 /nfs/dbraw/zinc/08/32/60/388083260.db2.gz BGUXYGXAKAMWSY-UTUOFQBUSA-N 2 1 214.353 1.341 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000085381137 388086556 /nfs/dbraw/zinc/08/65/56/388086556.db2.gz LTJRMXVYZKUHRN-QWHCGFSZSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000085417360 388087702 /nfs/dbraw/zinc/08/77/02/388087702.db2.gz NBWHFRNVDVPKIK-MNOVXSKESA-N 2 1 249.362 1.106 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000085789719 388096145 /nfs/dbraw/zinc/09/61/45/388096145.db2.gz BPMLUDZEMMFQMD-UHTWSYAYSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000085789719 388096149 /nfs/dbraw/zinc/09/61/49/388096149.db2.gz BPMLUDZEMMFQMD-UHTWSYAYSA-N 2 1 224.348 1.238 20 0 BDADMP CC(C)(C)[C@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000447842209 388096954 /nfs/dbraw/zinc/09/69/54/388096954.db2.gz ASMQIXZESKWVPQ-GFCCVEGCSA-N 2 1 237.347 1.630 20 0 BDADMP CC(C)(C)[C@H]1CN(CCn2ccnc2)CCO1 ZINC000447842209 388096957 /nfs/dbraw/zinc/09/69/57/388096957.db2.gz ASMQIXZESKWVPQ-GFCCVEGCSA-N 2 1 237.347 1.630 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336661009 388097955 /nfs/dbraw/zinc/09/79/55/388097955.db2.gz JUZBFSBHQPIGHQ-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336661009 388097956 /nfs/dbraw/zinc/09/79/56/388097956.db2.gz JUZBFSBHQPIGHQ-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336661013 388098056 /nfs/dbraw/zinc/09/80/56/388098056.db2.gz JUZBFSBHQPIGHQ-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336661013 388098057 /nfs/dbraw/zinc/09/80/57/388098057.db2.gz JUZBFSBHQPIGHQ-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423268126 388047919 /nfs/dbraw/zinc/04/79/19/388047919.db2.gz GBSBTFYVQLHLBL-BXUZGUMPSA-N 2 1 236.359 1.813 20 0 BDADMP C[N@@H+](CCCn1ccnc1)Cc1ccncc1F ZINC000449323933 388172480 /nfs/dbraw/zinc/17/24/80/388172480.db2.gz BVUNOZUKHKEKMA-UHFFFAOYSA-N 2 1 248.305 1.939 20 0 BDADMP CN(CCCn1ccnc1)Cc1ccncc1F ZINC000449323933 388172481 /nfs/dbraw/zinc/17/24/81/388172481.db2.gz BVUNOZUKHKEKMA-UHFFFAOYSA-N 2 1 248.305 1.939 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000488742030 388193049 /nfs/dbraw/zinc/19/30/49/388193049.db2.gz DIDIAPWMNBDSDF-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1 ZINC000261528841 135154027 /nfs/dbraw/zinc/15/40/27/135154027.db2.gz OLMISSFAOQYWQC-JTQLQIEISA-N 2 1 200.326 1.001 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])o1 ZINC000517935775 256555077 /nfs/dbraw/zinc/55/50/77/256555077.db2.gz FTTBYJYPPKJETH-DTWKUNHWSA-N 2 1 240.303 1.282 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)O)CC1 ZINC000164565300 388240087 /nfs/dbraw/zinc/24/00/87/388240087.db2.gz YPXLGLUBVXMZIN-MNOVXSKESA-N 2 1 214.353 1.220 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC2(CC2)CC1 ZINC000629585540 388283145 /nfs/dbraw/zinc/28/31/45/388283145.db2.gz BLJSMBIZOWYRFA-GFCCVEGCSA-N 2 1 208.349 1.862 20 0 BDADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000300066178 388348452 /nfs/dbraw/zinc/34/84/52/388348452.db2.gz QBMLAGXPFHSJDH-FPMFFAJLSA-N 2 1 248.374 1.022 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000233768436 388348655 /nfs/dbraw/zinc/34/86/55/388348655.db2.gz JUEMYVUTQZZUES-LPEHRKFASA-N 2 1 200.326 1.127 20 0 BDADMP CCc1cc(NCc2ccc(N)nc2)nc(C)[nH+]1 ZINC000277698103 388354231 /nfs/dbraw/zinc/35/42/31/388354231.db2.gz CSLATPWSTLTQAE-UHFFFAOYSA-N 2 1 243.314 1.937 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000235218517 388366375 /nfs/dbraw/zinc/36/63/75/388366375.db2.gz YIANNWQKFAQFMH-PWSUYJOCSA-N 2 1 212.337 1.143 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631668436 388403163 /nfs/dbraw/zinc/40/31/63/388403163.db2.gz XTBNSAFVMPVUNF-JHJVBQTASA-N 2 1 228.380 1.610 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631668436 388403164 /nfs/dbraw/zinc/40/31/64/388403164.db2.gz XTBNSAFVMPVUNF-JHJVBQTASA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H]1C[C@@H](N(C)CC2(F)CC2)CC[N@H+]1C ZINC000525978356 388441595 /nfs/dbraw/zinc/44/15/95/388441595.db2.gz PRLQZNWFEQGXPQ-QWRGUYRKSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CC2(F)CC2)CCN1C ZINC000525978356 388441598 /nfs/dbraw/zinc/44/15/98/388441598.db2.gz PRLQZNWFEQGXPQ-QWRGUYRKSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CC2(F)CC2)CCN1C ZINC000525978356 388441599 /nfs/dbraw/zinc/44/15/99/388441599.db2.gz PRLQZNWFEQGXPQ-QWRGUYRKSA-N 2 1 214.328 1.903 20 0 BDADMP CC(C)(O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308632043 388446029 /nfs/dbraw/zinc/44/60/29/388446029.db2.gz FASFYIRKQZJZGE-UHFFFAOYSA-N 2 1 228.380 1.611 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(C)(C)C1)C1CC1 ZINC000336659584 388460551 /nfs/dbraw/zinc/46/05/51/388460551.db2.gz NGRFVYFJAGBNAX-GFCCVEGCSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C)(C)C1)C1CC1 ZINC000336659584 388460553 /nfs/dbraw/zinc/46/05/53/388460553.db2.gz NGRFVYFJAGBNAX-GFCCVEGCSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC(C)(C)C1)C1CC1 ZINC000336659584 388460556 /nfs/dbraw/zinc/46/05/56/388460556.db2.gz NGRFVYFJAGBNAX-GFCCVEGCSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC(C)(C)C1)C1CC1 ZINC000336659584 388460558 /nfs/dbraw/zinc/46/05/58/388460558.db2.gz NGRFVYFJAGBNAX-GFCCVEGCSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000397405819 388467112 /nfs/dbraw/zinc/46/71/12/388467112.db2.gz SZQDZOOSZMHUPF-JHJVBQTASA-N 2 1 233.359 1.887 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000336722194 388468824 /nfs/dbraw/zinc/46/88/24/388468824.db2.gz STUSRHCUKPBNMU-MCIONIFRSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000336722194 388468826 /nfs/dbraw/zinc/46/88/26/388468826.db2.gz STUSRHCUKPBNMU-MCIONIFRSA-N 3 1 239.407 1.720 20 0 BDADMP CC[C@H]1CCCCC[N@H+]1CCOCC[NH3+] ZINC000134366669 388475957 /nfs/dbraw/zinc/47/59/57/388475957.db2.gz PLSITGOZTNUQRT-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC[NH3+] ZINC000307596968 388424727 /nfs/dbraw/zinc/42/47/27/388424727.db2.gz MYWILWJLRKCTRR-OCCSQVGLSA-N 2 1 233.359 1.055 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000393522307 388432620 /nfs/dbraw/zinc/43/26/20/388432620.db2.gz QGSOOUUZVCNUDB-YTWAJWBKSA-N 2 1 232.318 1.960 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000378752804 388496062 /nfs/dbraw/zinc/49/60/62/388496062.db2.gz WAEWQDKPUOFBHZ-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000378752804 388496066 /nfs/dbraw/zinc/49/60/66/388496066.db2.gz WAEWQDKPUOFBHZ-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000378752804 388496067 /nfs/dbraw/zinc/49/60/67/388496067.db2.gz WAEWQDKPUOFBHZ-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000378752804 388496070 /nfs/dbraw/zinc/49/60/70/388496070.db2.gz WAEWQDKPUOFBHZ-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)COC1 ZINC000343634800 388502132 /nfs/dbraw/zinc/50/21/32/388502132.db2.gz VEGNQODASSVAHV-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP COc1cc(F)cc(C[NH2+]CCC[NH+](C)C)c1 ZINC000312254798 388508011 /nfs/dbraw/zinc/50/80/11/388508011.db2.gz MKFDHAOKXHRXGI-UHFFFAOYSA-N 2 1 240.322 1.876 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000348287073 388528085 /nfs/dbraw/zinc/52/80/85/388528085.db2.gz AODSXCBUTHXJCL-ZOBORPQBSA-N 2 1 242.407 1.569 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](CO)C2)CC1 ZINC000348757729 388528390 /nfs/dbraw/zinc/52/83/90/388528390.db2.gz WRKONDVDICNADT-STQMWFEESA-N 2 1 240.391 1.469 20 0 BDADMP CCc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000649304869 388589078 /nfs/dbraw/zinc/58/90/78/388589078.db2.gz ZTVKRPCLCMCKKP-SMDDNHRTSA-N 2 1 249.358 1.197 20 0 BDADMP CCc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000649304869 388589081 /nfs/dbraw/zinc/58/90/81/388589081.db2.gz ZTVKRPCLCMCKKP-SMDDNHRTSA-N 2 1 249.358 1.197 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356900697 388551004 /nfs/dbraw/zinc/55/10/04/388551004.db2.gz OZLHDYOOAOCCHS-YPMHNXCESA-N 2 1 237.347 1.596 20 0 BDADMP CCn1c(C[NH2+]C[C@@H](C)C[NH3+])nc2ccccc21 ZINC000517534093 388552267 /nfs/dbraw/zinc/55/22/67/388552267.db2.gz KFRSBNBMJZYSOG-NSHDSACASA-N 2 1 246.358 1.741 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000359644401 388556853 /nfs/dbraw/zinc/55/68/53/388556853.db2.gz ZZKJQFTUOHHEOJ-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000359644401 388556856 /nfs/dbraw/zinc/55/68/56/388556856.db2.gz ZZKJQFTUOHHEOJ-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359644401 388556858 /nfs/dbraw/zinc/55/68/58/388556858.db2.gz ZZKJQFTUOHHEOJ-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@@H]1C ZINC000359644401 388556860 /nfs/dbraw/zinc/55/68/60/388556860.db2.gz ZZKJQFTUOHHEOJ-KBPBESRZSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@@H]1C ZINC000359644401 388556862 /nfs/dbraw/zinc/55/68/62/388556862.db2.gz ZZKJQFTUOHHEOJ-KBPBESRZSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000359644401 388556864 /nfs/dbraw/zinc/55/68/64/388556864.db2.gz ZZKJQFTUOHHEOJ-KBPBESRZSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359644401 388556866 /nfs/dbraw/zinc/55/68/66/388556866.db2.gz ZZKJQFTUOHHEOJ-KBPBESRZSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000261568389 135209946 /nfs/dbraw/zinc/20/99/46/135209946.db2.gz FNDRXXVXESOJGU-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000248048009 388673439 /nfs/dbraw/zinc/67/34/39/388673439.db2.gz VRHPDRLFQSSWEN-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCCC2)[C@@H](C)C1 ZINC000248048009 388673442 /nfs/dbraw/zinc/67/34/42/388673442.db2.gz VRHPDRLFQSSWEN-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCCC2)[C@@H](C)C1 ZINC000248048009 388673444 /nfs/dbraw/zinc/67/34/44/388673444.db2.gz VRHPDRLFQSSWEN-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCOCC[NH3+])CCS1 ZINC000261598044 135237181 /nfs/dbraw/zinc/23/71/81/135237181.db2.gz ZJDCLIFSKNJQRW-LLVKDONJSA-N 2 1 232.393 1.035 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)CC)[C@H](C)C1 ZINC000248166094 388674010 /nfs/dbraw/zinc/67/40/10/388674010.db2.gz TUAWICSCQYWHFH-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1cnccc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000530210267 388627825 /nfs/dbraw/zinc/62/78/25/388627825.db2.gz IXIOKHQALXZDLO-ZDUSSCGKSA-N 2 1 219.332 1.607 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CC(C)(C)C2)CCO1 ZINC000530212070 388628259 /nfs/dbraw/zinc/62/82/59/388628259.db2.gz OFIJFZWROBWPEN-ZYHUDNBSSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1 ZINC000530212070 388628263 /nfs/dbraw/zinc/62/82/63/388628263.db2.gz OFIJFZWROBWPEN-ZYHUDNBSSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)CC(C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000530220169 388631417 /nfs/dbraw/zinc/63/14/17/388631417.db2.gz SSOZLRHNACXVRS-NSHDSACASA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)CC(C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000530220169 388631419 /nfs/dbraw/zinc/63/14/19/388631419.db2.gz SSOZLRHNACXVRS-NSHDSACASA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218542 388632000 /nfs/dbraw/zinc/63/20/00/388632000.db2.gz WRXQDPWYOMBWLD-VXGBXAGGSA-N 2 1 234.347 1.146 20 0 BDADMP COC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000530223585 388634406 /nfs/dbraw/zinc/63/44/06/388634406.db2.gz TVITYAHYQNZYOK-NEPJUHHUSA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000530229337 388636567 /nfs/dbraw/zinc/63/65/67/388636567.db2.gz NIYGSRWBCLUWIO-KGLIPLIRSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000530229337 388636568 /nfs/dbraw/zinc/63/65/68/388636568.db2.gz NIYGSRWBCLUWIO-KGLIPLIRSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOC)[C@@H](C)C1 ZINC000246440008 388636572 /nfs/dbraw/zinc/63/65/72/388636572.db2.gz DLSVTZIRRIHKAE-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOC)[C@@H](C)C1 ZINC000246440008 388636575 /nfs/dbraw/zinc/63/65/75/388636575.db2.gz DLSVTZIRRIHKAE-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOC)[C@@H](C)C1 ZINC000246440008 388636577 /nfs/dbraw/zinc/63/65/77/388636577.db2.gz DLSVTZIRRIHKAE-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000222794602 388644844 /nfs/dbraw/zinc/64/48/44/388644844.db2.gz CUIOBNKJIFIBLB-NZEXEKPDSA-N 2 1 210.365 1.961 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000222833365 388645593 /nfs/dbraw/zinc/64/55/93/388645593.db2.gz HXGPRGUKLQDBHS-NWDGAFQWSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222833365 388645595 /nfs/dbraw/zinc/64/55/95/388645595.db2.gz HXGPRGUKLQDBHS-NWDGAFQWSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222833365 388645597 /nfs/dbraw/zinc/64/55/97/388645597.db2.gz HXGPRGUKLQDBHS-NWDGAFQWSA-N 2 1 213.369 1.010 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCO)[C@@H](C)C1 ZINC000247113247 388658900 /nfs/dbraw/zinc/65/89/00/388658900.db2.gz PHDOKFSHFSXMJX-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@@H](C)C1 ZINC000247259914 388661132 /nfs/dbraw/zinc/66/11/32/388661132.db2.gz ZTPMKOLFQFEDGW-QWRGUYRKSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000224410767 388663915 /nfs/dbraw/zinc/66/39/15/388663915.db2.gz QCHXHZYLZIVIHD-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224410767 388663917 /nfs/dbraw/zinc/66/39/17/388663917.db2.gz QCHXHZYLZIVIHD-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261527422 388743523 /nfs/dbraw/zinc/74/35/23/388743523.db2.gz BALVWQWTFLTEGA-AXFHLTTASA-N 2 1 214.378 1.409 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000251628199 388750242 /nfs/dbraw/zinc/75/02/42/388750242.db2.gz QYZRBZHJMVXFMN-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000251816609 388754089 /nfs/dbraw/zinc/75/40/89/388754089.db2.gz ZHARNJLTUXVHJO-SNPRPXQTSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+]1CCC[C@@H]1C ZINC000248745536 388691584 /nfs/dbraw/zinc/69/15/84/388691584.db2.gz RPWWCEZVRSEMQO-CLLJXQQHSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCC[C@@H]1C ZINC000248745536 388691586 /nfs/dbraw/zinc/69/15/86/388691586.db2.gz RPWWCEZVRSEMQO-CLLJXQQHSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCC[C@@H]1C ZINC000248745536 388691588 /nfs/dbraw/zinc/69/15/88/388691588.db2.gz RPWWCEZVRSEMQO-CLLJXQQHSA-N 2 1 226.364 1.316 20 0 BDADMP COc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000126359031 388694659 /nfs/dbraw/zinc/69/46/59/388694659.db2.gz YRNOOQJITLTAFV-AAEUAGOBSA-N 2 1 249.358 1.663 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000126359031 388694660 /nfs/dbraw/zinc/69/46/60/388694660.db2.gz YRNOOQJITLTAFV-AAEUAGOBSA-N 2 1 249.358 1.663 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000249084021 388708208 /nfs/dbraw/zinc/70/82/08/388708208.db2.gz SWCCVTKYEMONAZ-QSLWVIQJSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000249084023 388708313 /nfs/dbraw/zinc/70/83/13/388708313.db2.gz SWCCVTKYEMONAZ-RKQHYHRCSA-N 2 1 240.391 1.872 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252924527 388793167 /nfs/dbraw/zinc/79/31/67/388793167.db2.gz LILCIMXMWHUPLF-CHWSQXEVSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252924527 388793171 /nfs/dbraw/zinc/79/31/71/388793171.db2.gz LILCIMXMWHUPLF-CHWSQXEVSA-N 2 1 237.347 1.427 20 0 BDADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccn(C)n1 ZINC000541743564 388865901 /nfs/dbraw/zinc/86/59/01/388865901.db2.gz LEEKUGFXCXIREU-GFCCVEGCSA-N 2 1 247.346 1.666 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnc2)CC[N@H+]1C ZINC000129503715 388850037 /nfs/dbraw/zinc/85/00/37/388850037.db2.gz VCJYLTAWLZHEQU-OLZOCXBDSA-N 2 1 236.363 1.346 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@]1(C)CO ZINC000565645186 388960565 /nfs/dbraw/zinc/96/05/65/388960565.db2.gz FGGYGFZPSDFYTD-NEPJUHHUSA-N 2 1 214.353 1.207 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC2CC2)C1 ZINC000565724107 388966414 /nfs/dbraw/zinc/96/64/14/388966414.db2.gz LTPLOJDIQJYYJL-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000565724107 388966418 /nfs/dbraw/zinc/96/64/18/388966418.db2.gz LTPLOJDIQJYYJL-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000565724107 388966412 /nfs/dbraw/zinc/96/64/12/388966412.db2.gz LTPLOJDIQJYYJL-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC2CC2)C1 ZINC000565724107 388966416 /nfs/dbraw/zinc/96/64/16/388966416.db2.gz LTPLOJDIQJYYJL-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000565724107 388966420 /nfs/dbraw/zinc/96/64/20/388966420.db2.gz LTPLOJDIQJYYJL-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CCCn1nc(C)c(C[N@H+](C)CCC[NH3+])c1C ZINC000565833386 388972417 /nfs/dbraw/zinc/97/24/17/388972417.db2.gz AVKNSBIMULPKFZ-UHFFFAOYSA-N 2 1 238.379 1.691 20 0 BDADMP CCCn1nc(C)c(C[N@@H+](C)CCC[NH3+])c1C ZINC000565833386 388972419 /nfs/dbraw/zinc/97/24/19/388972419.db2.gz AVKNSBIMULPKFZ-UHFFFAOYSA-N 2 1 238.379 1.691 20 0 BDADMP CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566089525 388986343 /nfs/dbraw/zinc/98/63/43/388986343.db2.gz KXCNXVKAJWESCN-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271866065 389023301 /nfs/dbraw/zinc/02/33/01/389023301.db2.gz WFHBOTOFMFLBKR-UHFFFAOYSA-N 2 1 220.320 1.070 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccn2)CC1 ZINC000271792781 389026593 /nfs/dbraw/zinc/02/65/93/389026593.db2.gz HEVCBDXHMWMHHP-UHFFFAOYSA-N 2 1 217.316 1.433 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cn[nH]c1 ZINC000275169700 389053394 /nfs/dbraw/zinc/05/33/94/389053394.db2.gz KTQRUTRUKPHJOG-PWSUYJOCSA-N 2 1 222.336 1.545 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cn[nH]c1 ZINC000275169700 389053397 /nfs/dbraw/zinc/05/33/97/389053397.db2.gz KTQRUTRUKPHJOG-PWSUYJOCSA-N 2 1 222.336 1.545 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000250856226 533369943 /nfs/dbraw/zinc/36/99/43/533369943.db2.gz PIMFVWPUJYBDPW-HZSPNIEDSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400724542 533371777 /nfs/dbraw/zinc/37/17/77/533371777.db2.gz PCWOHMGUYAPRSN-GHMZBOCLSA-N 2 1 241.379 1.021 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC2(CCC2)C1 ZINC000261548367 533374785 /nfs/dbraw/zinc/37/47/85/533374785.db2.gz NPGRNZWZOPSFMY-GFCCVEGCSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@@H](NCCC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400744813 533376687 /nfs/dbraw/zinc/37/66/87/533376687.db2.gz UHDOIBFJXULVMU-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1cccc(N2CCC[C@H](CC[NH3+])C2)[nH+]1 ZINC000069626296 132397810 /nfs/dbraw/zinc/39/78/10/132397810.db2.gz OMMHNQWXOVGUCY-GFCCVEGCSA-N 2 1 219.332 1.955 20 0 BDADMP Cc1nocc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000335943254 134018582 /nfs/dbraw/zinc/01/85/82/134018582.db2.gz ZUBNDJAXVRIIHI-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000335943254 134018583 /nfs/dbraw/zinc/01/85/83/134018583.db2.gz ZUBNDJAXVRIIHI-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000335943254 134018584 /nfs/dbraw/zinc/01/85/84/134018584.db2.gz ZUBNDJAXVRIIHI-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000335943254 134018585 /nfs/dbraw/zinc/01/85/85/134018585.db2.gz ZUBNDJAXVRIIHI-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@@H]1[NH3+] ZINC000336055831 134066583 /nfs/dbraw/zinc/06/65/83/134066583.db2.gz PIQNPUOWVIIDOJ-RISCZKNCSA-N 2 1 245.370 1.824 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)O ZINC000352203207 134102692 /nfs/dbraw/zinc/10/26/92/134102692.db2.gz PYECPSNHHZGBTR-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC000352203207 134102693 /nfs/dbraw/zinc/10/26/93/134102693.db2.gz PYECPSNHHZGBTR-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC000352203207 134102694 /nfs/dbraw/zinc/10/26/94/134102694.db2.gz PYECPSNHHZGBTR-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000219839035 134292409 /nfs/dbraw/zinc/29/24/09/134292409.db2.gz VWCBZWSJGSRPBH-SMDDNHRTSA-N 2 1 234.343 1.864 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000178965321 134313736 /nfs/dbraw/zinc/31/37/36/134313736.db2.gz NDCNSUWVEIGFDW-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP COC1CC([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000220837215 134316255 /nfs/dbraw/zinc/31/62/55/134316255.db2.gz BRPFISKGTJYHAH-JXQTWKCFSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221995954 134327433 /nfs/dbraw/zinc/32/74/33/134327433.db2.gz UYBNLMMLNRWGKD-AGIUHOORSA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221995954 134327434 /nfs/dbraw/zinc/32/74/34/134327434.db2.gz UYBNLMMLNRWGKD-AGIUHOORSA-N 2 1 236.363 1.344 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000181353459 134335806 /nfs/dbraw/zinc/33/58/06/134335806.db2.gz DITXTYVORMTEJH-RAIGVLPGSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000181353459 134335807 /nfs/dbraw/zinc/33/58/07/134335807.db2.gz DITXTYVORMTEJH-RAIGVLPGSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181137042 134336640 /nfs/dbraw/zinc/33/66/40/134336640.db2.gz UGUWOWOPXXZSDW-UPJWGTAASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOCC1CC1 ZINC000223384406 134338653 /nfs/dbraw/zinc/33/86/53/134338653.db2.gz AUISGBRQZWNARA-DYEKYZERSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223755066 134339079 /nfs/dbraw/zinc/33/90/79/134339079.db2.gz NZUMGIFRDMEFRV-IRCOFANPSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000224098692 134345037 /nfs/dbraw/zinc/34/50/37/134345037.db2.gz IAEXQGAHTXVWEK-YNEHKIRRSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000226581760 134367338 /nfs/dbraw/zinc/36/73/38/134367338.db2.gz PSNZWLHTSQLYNJ-SYQHCUMBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000226581760 134367339 /nfs/dbraw/zinc/36/73/39/134367339.db2.gz PSNZWLHTSQLYNJ-SYQHCUMBSA-N 2 1 238.375 1.770 20 0 BDADMP Cc1ccncc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227420732 134380835 /nfs/dbraw/zinc/38/08/35/134380835.db2.gz SVATXGIEJGOGIO-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000227420732 134380836 /nfs/dbraw/zinc/38/08/36/134380836.db2.gz SVATXGIEJGOGIO-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227420732 134380837 /nfs/dbraw/zinc/38/08/37/134380837.db2.gz SVATXGIEJGOGIO-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227420732 134380838 /nfs/dbraw/zinc/38/08/38/134380838.db2.gz SVATXGIEJGOGIO-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000194953189 134833676 /nfs/dbraw/zinc/83/36/76/134833676.db2.gz DUFPYYIFDSVZFJ-LLVKDONJSA-N 2 1 237.347 1.055 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724242 134902280 /nfs/dbraw/zinc/90/22/80/134902280.db2.gz WTZFHDUINBGSIE-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(C)(C)CC1 ZINC000070655335 135004564 /nfs/dbraw/zinc/00/45/64/135004564.db2.gz IQOUVVWSODCHTM-LBPRGKRZSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc[nH+]1 ZINC000248665020 135018218 /nfs/dbraw/zinc/01/82/18/135018218.db2.gz LBDCLPIPRXHCAW-STQMWFEESA-N 2 1 249.358 1.281 20 0 BDADMP c1cnn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250159146 135050171 /nfs/dbraw/zinc/05/01/71/135050171.db2.gz GDALCKUHQHPTJD-STQMWFEESA-N 2 1 234.347 1.100 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000250358134 135052753 /nfs/dbraw/zinc/05/27/53/135052753.db2.gz SPUHRECXDWQPIQ-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH+](C)C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250681778 135057777 /nfs/dbraw/zinc/05/77/77/135057777.db2.gz ACADFWCLNGWPQD-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251318044 135068180 /nfs/dbraw/zinc/06/81/80/135068180.db2.gz LRJTWZTUJXHHKO-AGIUHOORSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251914474 135081395 /nfs/dbraw/zinc/08/13/95/135081395.db2.gz XLLLBAVUSWFOFR-IJLUTSLNSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCCOC1 ZINC000252107580 135083625 /nfs/dbraw/zinc/08/36/25/135083625.db2.gz JCVXEOKSMWMAOC-IJLUTSLNSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1c2ccsc2CC[N@@H+]1CCOCC[NH3+] ZINC000086435567 135084082 /nfs/dbraw/zinc/08/40/82/135084082.db2.gz MEDRGRRPUUAQLI-JTQLQIEISA-N 2 1 240.372 1.643 20 0 BDADMP Cc1ccccc1C[N@@H+](C)CCOCC[NH3+] ZINC000086435462 135084358 /nfs/dbraw/zinc/08/43/58/135084358.db2.gz SYELAYFROUIJEW-UHFFFAOYSA-N 2 1 222.332 1.402 20 0 BDADMP CC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252566021 135092104 /nfs/dbraw/zinc/09/21/04/135092104.db2.gz ZHCRBYREBDHPHY-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252566021 135092107 /nfs/dbraw/zinc/09/21/07/135092107.db2.gz ZHCRBYREBDHPHY-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1c[nH+]ccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539992 135092337 /nfs/dbraw/zinc/09/23/37/135092337.db2.gz CBUZJFZLILZCRT-STQMWFEESA-N 2 1 247.342 1.665 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC000252682036 135095239 /nfs/dbraw/zinc/09/52/39/135095239.db2.gz BMBHQQQCSRGEHT-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000086730374 135096021 /nfs/dbraw/zinc/09/60/21/135096021.db2.gz KCOJQYFQGQFZJH-GXSJLCMTSA-N 2 1 224.373 1.939 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@H]1CCCO1 ZINC000252688915 135097211 /nfs/dbraw/zinc/09/72/11/135097211.db2.gz PSOQIHLSVWJVDI-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2Cl)[C@H](C)C[NH2+]1 ZINC000086840065 135097825 /nfs/dbraw/zinc/09/78/25/135097825.db2.gz VFGRCPHWAKIICA-RKDXNWHRSA-N 2 1 225.723 1.922 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCSCCCO ZINC000252711359 135099702 /nfs/dbraw/zinc/09/97/02/135099702.db2.gz JINLJPYSDZXLFT-NWDGAFQWSA-N 2 1 246.420 1.032 20 0 BDADMP Cc1cccc(N2CC[C@@H]([NH3+])[C@H](C)C2)[nH+]1 ZINC000086887412 135100133 /nfs/dbraw/zinc/10/01/33/135100133.db2.gz RVIKRALGWLUYKM-MWLCHTKSSA-N 2 1 205.305 1.564 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cnn1C ZINC000252726278 135102831 /nfs/dbraw/zinc/10/28/31/135102831.db2.gz SAUOBRRBLJNCEU-ZWNOBZJWSA-N 2 1 236.363 1.158 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cnn1C ZINC000252726278 135102833 /nfs/dbraw/zinc/10/28/33/135102833.db2.gz SAUOBRRBLJNCEU-ZWNOBZJWSA-N 2 1 236.363 1.158 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261568082 135109713 /nfs/dbraw/zinc/10/97/13/135109713.db2.gz FHCPVURVTGSRKH-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1C1CCC1 ZINC000261561195 135109918 /nfs/dbraw/zinc/10/99/18/135109918.db2.gz ALNNCEDSSFGSJB-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000252790944 135110907 /nfs/dbraw/zinc/11/09/07/135110907.db2.gz ZILMTXOBIKHCSQ-RHYQMDGZSA-N 2 1 226.364 1.076 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000252790944 135110910 /nfs/dbraw/zinc/11/09/10/135110910.db2.gz ZILMTXOBIKHCSQ-RHYQMDGZSA-N 2 1 226.364 1.076 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C)COC1 ZINC000087197224 135112450 /nfs/dbraw/zinc/11/24/50/135112450.db2.gz NOTFGIYFFXMXGK-UTUOFQBUSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000253196835 135124036 /nfs/dbraw/zinc/12/40/36/135124036.db2.gz UCYSVDWPLVMUDC-VHSXEESVSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000253196835 135124037 /nfs/dbraw/zinc/12/40/37/135124037.db2.gz UCYSVDWPLVMUDC-VHSXEESVSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000258884651 135135700 /nfs/dbraw/zinc/13/57/00/135135700.db2.gz GQZJEGYPKRHNMB-OLZOCXBDSA-N 2 1 204.317 1.964 20 0 BDADMP CN(C[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258945232 135136143 /nfs/dbraw/zinc/13/61/43/135136143.db2.gz IEVYYTKYJDFZBR-UONOGXRCSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257663551 135138242 /nfs/dbraw/zinc/13/82/42/135138242.db2.gz GTFDYKXQQAEAFK-AWEZNQCLSA-N 2 1 248.374 1.602 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257663551 135138244 /nfs/dbraw/zinc/13/82/44/135138244.db2.gz GTFDYKXQQAEAFK-AWEZNQCLSA-N 2 1 248.374 1.602 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257674227 135139228 /nfs/dbraw/zinc/13/92/28/135139228.db2.gz JGGZEDFLBCRQDQ-UHFFFAOYSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cnn1C ZINC000257726552 135140963 /nfs/dbraw/zinc/14/09/63/135140963.db2.gz WNLYTDLZBJHPBE-AWEZNQCLSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cnn1C ZINC000257726552 135140964 /nfs/dbraw/zinc/14/09/64/135140964.db2.gz WNLYTDLZBJHPBE-AWEZNQCLSA-N 2 1 248.374 1.304 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257741629 135141256 /nfs/dbraw/zinc/14/12/56/135141256.db2.gz YZNVDTSEKMVKHY-CHWSQXEVSA-N 2 1 224.348 1.098 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOCC(F)(F)F ZINC000087472749 135142580 /nfs/dbraw/zinc/14/25/80/135142580.db2.gz INCWLBHRLVDYLR-UHFFFAOYSA-N 2 1 228.258 1.107 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOCC(F)(F)F ZINC000087472749 135142581 /nfs/dbraw/zinc/14/25/81/135142581.db2.gz INCWLBHRLVDYLR-UHFFFAOYSA-N 2 1 228.258 1.107 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1[NH3+] ZINC000261527587 135151858 /nfs/dbraw/zinc/15/18/58/135151858.db2.gz DEHSTNYVUFKKCW-VXNVDRBHSA-N 2 1 211.696 1.518 20 0 BDADMP C[N@@H+](C[C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000261531441 135160325 /nfs/dbraw/zinc/16/03/25/135160325.db2.gz GNOXDRAGIIVTGI-JTQLQIEISA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000261532079 135161601 /nfs/dbraw/zinc/16/16/01/135161601.db2.gz JAQWPZSOUAWLQS-GWCFXTLKSA-N 2 1 204.317 1.953 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000261532079 135161602 /nfs/dbraw/zinc/16/16/02/135161602.db2.gz JAQWPZSOUAWLQS-GWCFXTLKSA-N 2 1 204.317 1.953 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000261535275 135169693 /nfs/dbraw/zinc/16/96/93/135169693.db2.gz XTCSEBDHTWAFJC-XQQFMLRXSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000261535275 135169694 /nfs/dbraw/zinc/16/96/94/135169694.db2.gz XTCSEBDHTWAFJC-XQQFMLRXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C2)CCCS1 ZINC000087793275 135171896 /nfs/dbraw/zinc/17/18/96/135171896.db2.gz DIOOYYNTYHEOIM-ZJUUUORDSA-N 2 1 200.351 1.224 20 0 BDADMP Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261536392 135172164 /nfs/dbraw/zinc/17/21/64/135172164.db2.gz ROLNNQWVQFDLHN-AAEUAGOBSA-N 2 1 204.317 1.917 20 0 BDADMP Cc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261536392 135172166 /nfs/dbraw/zinc/17/21/66/135172166.db2.gz ROLNNQWVQFDLHN-AAEUAGOBSA-N 2 1 204.317 1.917 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261538078 135175248 /nfs/dbraw/zinc/17/52/48/135175248.db2.gz XJKWQILQZPZPGK-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261538251 135175691 /nfs/dbraw/zinc/17/56/91/135175691.db2.gz XOOKIDVEOIXBTD-BDAKNGLRSA-N 2 1 222.254 1.623 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261538251 135175693 /nfs/dbraw/zinc/17/56/93/135175693.db2.gz XOOKIDVEOIXBTD-BDAKNGLRSA-N 2 1 222.254 1.623 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261539344 135177644 /nfs/dbraw/zinc/17/76/44/135177644.db2.gz CEIHLMAIGROKGF-UPJWGTAASA-N 2 1 208.349 1.718 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000261541018 135181082 /nfs/dbraw/zinc/18/10/82/135181082.db2.gz IPJYECXBWVABDI-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000261542679 135182973 /nfs/dbraw/zinc/18/29/73/135182973.db2.gz HDPYCFWMQMUFLH-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000261544741 135186295 /nfs/dbraw/zinc/18/62/95/135186295.db2.gz ZNGNEZAWEMGFMP-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@H](NCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000261548900 135187426 /nfs/dbraw/zinc/18/74/26/135187426.db2.gz OAOPSRSJSOXDDF-OCCSQVGLSA-N 2 1 233.359 1.198 20 0 BDADMP CCc1nc(N2CCC[C@@H](C[NH2+]C)C2)cc(C)[nH+]1 ZINC000261553405 135192815 /nfs/dbraw/zinc/19/28/15/135192815.db2.gz AHNPVLFLEDHLRR-LBPRGKRZSA-N 2 1 248.374 1.783 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nccs1 ZINC000084220518 135192873 /nfs/dbraw/zinc/19/28/73/135192873.db2.gz JAOWQVHYKVZTSP-IUCAKERBSA-N 2 1 211.334 1.360 20 0 BDADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261553876 135193805 /nfs/dbraw/zinc/19/38/05/135193805.db2.gz OJIYMEXOZSVMDN-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1C[C@@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261554201 135193822 /nfs/dbraw/zinc/19/38/22/135193822.db2.gz UAYHTNAICXZIKO-NWDGAFQWSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc(C)[nH+]1 ZINC000261557143 135197545 /nfs/dbraw/zinc/19/75/45/135197545.db2.gz RGYIDGVIBQJPDK-RYUDHWBXSA-N 2 1 232.331 1.139 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261558071 135198646 /nfs/dbraw/zinc/19/86/46/135198646.db2.gz SFEDBQYIZBLQIG-RYUDHWBXSA-N 2 1 235.331 1.333 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261558071 135198648 /nfs/dbraw/zinc/19/86/48/135198648.db2.gz SFEDBQYIZBLQIG-RYUDHWBXSA-N 2 1 235.331 1.333 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557795 135198784 /nfs/dbraw/zinc/19/87/84/135198784.db2.gz SBRUGBYNWDLMOC-ZIAGYGMSSA-N 2 1 231.343 1.165 20 0 BDADMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000261557743 135198859 /nfs/dbraw/zinc/19/88/59/135198859.db2.gz RWYVGEUEZVLNHS-NXEZZACHSA-N 2 1 238.331 1.529 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000261560066 135200328 /nfs/dbraw/zinc/20/03/28/135200328.db2.gz ZMCNCLMPIYBPAL-AAEUAGOBSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1ncccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261561430 135202434 /nfs/dbraw/zinc/20/24/34/135202434.db2.gz VLGRFMLBHPUJSX-AAEUAGOBSA-N 2 1 233.359 1.949 20 0 BDADMP CCc1nc(N[C@@H]2CCC[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000261562306 135203714 /nfs/dbraw/zinc/20/37/14/135203714.db2.gz WFCCRFIFAJLTCV-WDEREUQCSA-N 2 1 234.347 1.887 20 0 BDADMP Cc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000163947864 135211164 /nfs/dbraw/zinc/21/11/64/135211164.db2.gz KZVZNVXTRVDULK-JOYOIKCWSA-N 2 1 234.347 1.515 20 0 BDADMP CCc1nc(NC[C@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000261571013 135213198 /nfs/dbraw/zinc/21/31/98/135213198.db2.gz HHNHCKPVHDRGFP-JTQLQIEISA-N 2 1 220.320 1.369 20 0 BDADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCSC1 ZINC000261573090 135214589 /nfs/dbraw/zinc/21/45/89/135214589.db2.gz IMRRBEIAVBPZLD-UTUOFQBUSA-N 2 1 244.404 1.096 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2cccnc2)C1 ZINC000261576663 135218313 /nfs/dbraw/zinc/21/83/13/135218313.db2.gz KMUWDTCYXIPAQA-CYBMUJFWSA-N 2 1 219.332 1.295 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261578466 135219621 /nfs/dbraw/zinc/21/96/21/135219621.db2.gz PADCJAKRNZJABK-DZGCQCFKSA-N 2 1 246.354 1.879 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261578466 135219623 /nfs/dbraw/zinc/21/96/23/135219623.db2.gz PADCJAKRNZJABK-DZGCQCFKSA-N 2 1 246.354 1.879 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1cccnc1 ZINC000261580332 135221531 /nfs/dbraw/zinc/22/15/31/135221531.db2.gz MZFDXIDCMFCBPH-ZDUSSCGKSA-N 2 1 221.348 1.587 20 0 BDADMP CCc1nc(N2CCC([C@@H](C)[NH3+])CC2)cc(C)[nH+]1 ZINC000261581048 135221768 /nfs/dbraw/zinc/22/17/68/135221768.db2.gz QIVKRFKUXPBOQR-LLVKDONJSA-N 2 1 248.374 1.911 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261581741 135222217 /nfs/dbraw/zinc/22/22/17/135222217.db2.gz NVWAKPAMQSUYLC-GFCCVEGCSA-N 2 1 239.388 1.665 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC000261581690 135222747 /nfs/dbraw/zinc/22/27/47/135222747.db2.gz NRKRCCYSGVLCTH-UHFFFAOYSA-N 2 1 208.280 1.797 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261583870 135225366 /nfs/dbraw/zinc/22/53/66/135225366.db2.gz PHXDRUZNHSNPSU-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]12 ZINC000261594309 135234574 /nfs/dbraw/zinc/23/45/74/135234574.db2.gz XLXOFCCMXQRUHU-RWMBFGLXSA-N 2 1 217.316 1.251 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261596171 135235919 /nfs/dbraw/zinc/23/59/19/135235919.db2.gz YOVHKFXWZPGIFH-NWDGAFQWSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000261547411 135240435 /nfs/dbraw/zinc/24/04/35/135240435.db2.gz HYOJGBQEUHKWBE-ZJUUUORDSA-N 2 1 236.315 1.283 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C[S@](C)=O)CC1 ZINC000164406713 135243395 /nfs/dbraw/zinc/24/33/95/135243395.db2.gz OJZLXLJGIQLWAP-BDJLRTHQSA-N 2 1 246.420 1.216 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](C)[NH3+] ZINC000261687889 135245917 /nfs/dbraw/zinc/24/59/17/135245917.db2.gz BVQRRPNTOGTXAX-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261684113 135246305 /nfs/dbraw/zinc/24/63/05/135246305.db2.gz AFCQOLYDOUUFKG-KGLIPLIRSA-N 2 1 240.391 1.471 20 0 BDADMP C[C@@H](CNC1=[NH+]CCCN1)[N@H+]1CCC[C@@H](C)C1 ZINC000261699471 135246943 /nfs/dbraw/zinc/24/69/43/135246943.db2.gz CJMWWFSCWRTOFE-NEPJUHHUSA-N 2 1 238.379 1.046 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261780267 135252388 /nfs/dbraw/zinc/25/23/88/135252388.db2.gz FIGVGHYNORPXBU-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261796108 135253435 /nfs/dbraw/zinc/25/34/35/135253435.db2.gz GPHJXQAIDFGZEA-NWDGAFQWSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261796108 135253437 /nfs/dbraw/zinc/25/34/37/135253437.db2.gz GPHJXQAIDFGZEA-NWDGAFQWSA-N 2 1 236.363 1.633 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000261833904 135255934 /nfs/dbraw/zinc/25/59/34/135255934.db2.gz QECVFBVTQACUHI-CQSZACIVSA-N 2 1 248.326 1.586 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000261833904 135255935 /nfs/dbraw/zinc/25/59/35/135255935.db2.gz QECVFBVTQACUHI-CQSZACIVSA-N 2 1 248.326 1.586 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000261833777 135256226 /nfs/dbraw/zinc/25/62/26/135256226.db2.gz JIIBOUWMLFHXBU-RDBSUJKOSA-N 2 1 238.375 1.344 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H](C(C)C)[NH+](C)C)n1 ZINC000261871486 135259242 /nfs/dbraw/zinc/25/92/42/135259242.db2.gz VGNJDCWJWHWQPA-MWLCHTKSSA-N 2 1 240.351 1.479 20 0 BDADMP COCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261880378 135260139 /nfs/dbraw/zinc/26/01/39/135260139.db2.gz YMJNXCGFXOCAGM-KGLIPLIRSA-N 2 1 234.343 1.307 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261975074 135268924 /nfs/dbraw/zinc/26/89/24/135268924.db2.gz QQXZKNKRAPZIBB-GHMZBOCLSA-N 2 1 242.363 1.245 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261993979 135270539 /nfs/dbraw/zinc/27/05/39/135270539.db2.gz SQLIUWYDIAKCLX-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261993979 135270540 /nfs/dbraw/zinc/27/05/40/135270540.db2.gz SQLIUWYDIAKCLX-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]C[C@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000262002231 135271498 /nfs/dbraw/zinc/27/14/98/135271498.db2.gz UDZXXIQNYOIVMA-SECBINFHSA-N 2 1 237.372 1.801 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000262002231 135271500 /nfs/dbraw/zinc/27/15/00/135271500.db2.gz UDZXXIQNYOIVMA-SECBINFHSA-N 2 1 237.372 1.801 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262004008 135271514 /nfs/dbraw/zinc/27/15/14/135271514.db2.gz LPGHURNRCVEIQP-UHFFFAOYSA-N 2 1 245.370 1.966 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262006825 135272355 /nfs/dbraw/zinc/27/23/55/135272355.db2.gz LWVNYZFQGFZIEJ-UONOGXRCSA-N 2 1 239.407 1.260 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000262047109 135275552 /nfs/dbraw/zinc/27/55/52/135275552.db2.gz PVAILOIXGHDZPI-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000262047109 135275553 /nfs/dbraw/zinc/27/55/53/135275553.db2.gz PVAILOIXGHDZPI-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044696 135275912 /nfs/dbraw/zinc/27/59/12/135275912.db2.gz PPJNTWBATUJNHI-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000262047106 135276027 /nfs/dbraw/zinc/27/60/27/135276027.db2.gz PVAILOIXGHDZPI-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000262047106 135276029 /nfs/dbraw/zinc/27/60/29/135276029.db2.gz PVAILOIXGHDZPI-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)(C)[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000262103329 135278715 /nfs/dbraw/zinc/27/87/15/135278715.db2.gz VTISRPHXWDVRPG-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000262103329 135278717 /nfs/dbraw/zinc/27/87/17/135278717.db2.gz VTISRPHXWDVRPG-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC000262116248 135279276 /nfs/dbraw/zinc/27/92/76/135279276.db2.gz LHPZRZHIOOWVGK-OUAUKWLOSA-N 2 1 248.317 1.327 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262106159 135280026 /nfs/dbraw/zinc/28/00/26/135280026.db2.gz VYTCJJWKTKUKGA-MELADBBJSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262122157 135280643 /nfs/dbraw/zinc/28/06/43/135280643.db2.gz XIYWXXBQNHEAML-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262122157 135280644 /nfs/dbraw/zinc/28/06/44/135280644.db2.gz XIYWXXBQNHEAML-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(C)(C)[NH3+] ZINC000262653155 135311077 /nfs/dbraw/zinc/31/10/77/135311077.db2.gz SHPPRYXKVQTIGJ-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP Cc1cnc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)n1C ZINC000342779097 135317854 /nfs/dbraw/zinc/31/78/54/135317854.db2.gz OLPGLMBUTMRGEA-OLZOCXBDSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1cnc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C ZINC000342775904 135326975 /nfs/dbraw/zinc/32/69/75/135326975.db2.gz FZANHNKIGYVUNG-OLZOCXBDSA-N 2 1 248.374 1.397 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000334312620 135351416 /nfs/dbraw/zinc/35/14/16/135351416.db2.gz UIXQGXRCJYQWLU-LDYMZIIASA-N 2 1 222.336 1.196 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2cscn2)CC1 ZINC000343123997 135358411 /nfs/dbraw/zinc/35/84/11/135358411.db2.gz XAFCNRYHLMFVHX-UHFFFAOYSA-N 2 1 239.388 1.917 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](C)CC1(C)C ZINC000334345227 135366103 /nfs/dbraw/zinc/36/61/03/135366103.db2.gz ONNYQXGNOKKHOO-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+](C)CC1(C)C ZINC000334345227 135366104 /nfs/dbraw/zinc/36/61/04/135366104.db2.gz ONNYQXGNOKKHOO-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c[nH]1 ZINC000080773808 135385128 /nfs/dbraw/zinc/38/51/28/135385128.db2.gz KZXYKJJOJGOHSW-GFCCVEGCSA-N 2 1 219.332 1.589 20 0 BDADMP CC1CCC([NH2+]C[C@@H]2C[NH2+]CCN2C)CC1 ZINC000334836220 135818406 /nfs/dbraw/zinc/81/84/06/135818406.db2.gz CORMQNOGTDHLDN-BPCQOVAHSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000335308508 136027870 /nfs/dbraw/zinc/02/78/70/136027870.db2.gz LIEKEBOZOODYDX-CYBMUJFWSA-N 2 1 249.358 1.947 20 0 BDADMP CCCC[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000348080885 136034359 /nfs/dbraw/zinc/03/43/59/136034359.db2.gz NGWXKVHZGYPDON-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348175055 136042807 /nfs/dbraw/zinc/04/28/07/136042807.db2.gz YGUXYFXLJLYQCF-CHWSQXEVSA-N 2 1 237.347 1.332 20 0 BDADMP c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1cccnc1)C2 ZINC000335326092 136051693 /nfs/dbraw/zinc/05/16/93/136051693.db2.gz WOSOVTNYEAYPPO-LLVKDONJSA-N 2 1 228.299 1.452 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)o1 ZINC000335325937 136051733 /nfs/dbraw/zinc/05/17/33/136051733.db2.gz KYGYYABITVEJQF-JTQLQIEISA-N 2 1 231.299 1.958 20 0 BDADMP Cc1ccncc1CCC[N@H+](C)C1CC(O)C1 ZINC000348229116 136060260 /nfs/dbraw/zinc/06/02/60/136060260.db2.gz JLNQGIMMAPPISJ-UHFFFAOYSA-N 2 1 234.343 1.778 20 0 BDADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335552521 136098456 /nfs/dbraw/zinc/09/84/56/136098456.db2.gz OAKHWSHYTGEONA-CQSZACIVSA-N 2 1 248.395 1.826 20 0 BDADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335552589 136098487 /nfs/dbraw/zinc/09/84/87/136098487.db2.gz PKXOEZNBTNQVLI-ZDUSSCGKSA-N 2 1 232.327 1.709 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCc2occc21)C1C[NH2+]C1 ZINC000335559279 136100401 /nfs/dbraw/zinc/10/04/01/136100401.db2.gz AWXYTVTZFDGVMZ-JOYOIKCWSA-N 2 1 220.316 1.855 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335566772 136107692 /nfs/dbraw/zinc/10/76/92/136107692.db2.gz WCVHDCDOYHHVTC-OLZOCXBDSA-N 3 1 239.407 1.306 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCCO3)C2)C1 ZINC000335569721 136108562 /nfs/dbraw/zinc/10/85/62/136108562.db2.gz CENMHZXNWDTHGA-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCCCO3)C2)C1 ZINC000335569721 136108563 /nfs/dbraw/zinc/10/85/63/136108563.db2.gz CENMHZXNWDTHGA-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCCCO3)C2)C1 ZINC000335569721 136108564 /nfs/dbraw/zinc/10/85/64/136108564.db2.gz CENMHZXNWDTHGA-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000367048033 136113150 /nfs/dbraw/zinc/11/31/50/136113150.db2.gz PWBBXFPYRDWJTP-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367048033 136113151 /nfs/dbraw/zinc/11/31/51/136113151.db2.gz PWBBXFPYRDWJTP-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367048033 136113152 /nfs/dbraw/zinc/11/31/52/136113152.db2.gz PWBBXFPYRDWJTP-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000367048033 136113153 /nfs/dbraw/zinc/11/31/53/136113153.db2.gz PWBBXFPYRDWJTP-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367048033 136113154 /nfs/dbraw/zinc/11/31/54/136113154.db2.gz PWBBXFPYRDWJTP-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1n[nH]c(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531323 397779563 /nfs/dbraw/zinc/77/95/63/397779563.db2.gz OPBCNITXPJYCKR-UHFFFAOYSA-N 2 1 222.336 1.340 20 0 BDADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)no1 ZINC000110116902 397901790 /nfs/dbraw/zinc/90/17/90/397901790.db2.gz YOXWIWGSWRUMOS-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)no1 ZINC000110116902 397901791 /nfs/dbraw/zinc/90/17/91/397901791.db2.gz YOXWIWGSWRUMOS-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCO1 ZINC000383108894 398001032 /nfs/dbraw/zinc/00/10/32/398001032.db2.gz QLUURWDICMOIDE-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[C@@H]1C[NH+](C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649618312 398001631 /nfs/dbraw/zinc/00/16/31/398001631.db2.gz TUIPXCNGQGGTNO-KGLIPLIRSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@@H]1C[NH+](C)CCN1C[C@H]1CCC[N@H+]1C ZINC000649618312 398001634 /nfs/dbraw/zinc/00/16/34/398001634.db2.gz TUIPXCNGQGGTNO-KGLIPLIRSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000649624532 398005788 /nfs/dbraw/zinc/00/57/88/398005788.db2.gz JAVPOZGDNKTTEO-KGLIPLIRSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+]1CC[C@H](N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000649624532 398005790 /nfs/dbraw/zinc/00/57/90/398005790.db2.gz JAVPOZGDNKTTEO-KGLIPLIRSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+]1CC[C@H](N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000649624532 398005793 /nfs/dbraw/zinc/00/57/93/398005793.db2.gz JAVPOZGDNKTTEO-KGLIPLIRSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000383179182 398010240 /nfs/dbraw/zinc/01/02/40/398010240.db2.gz JLMVAPSKXCBWIW-HZSPNIEDSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000383179182 398010244 /nfs/dbraw/zinc/01/02/44/398010244.db2.gz JLMVAPSKXCBWIW-HZSPNIEDSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000383179182 398010246 /nfs/dbraw/zinc/01/02/46/398010246.db2.gz JLMVAPSKXCBWIW-HZSPNIEDSA-N 2 1 240.391 1.562 20 0 BDADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000373115393 398013675 /nfs/dbraw/zinc/01/36/75/398013675.db2.gz KAKUSJRDVHOFPV-LLVKDONJSA-N 2 1 246.314 1.788 20 0 BDADMP Cc1ccc(CNC[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000383480903 398021912 /nfs/dbraw/zinc/02/19/12/398021912.db2.gz ARXACATWFJKGBV-LBPRGKRZSA-N 2 1 238.331 1.133 20 0 BDADMP C[C@H](CNc1cc(NCC2CC2)[nH+]cn1)[NH+](C)C ZINC000277010553 398024956 /nfs/dbraw/zinc/02/49/56/398024956.db2.gz AVAPSEDWGBKFHU-SNVBAGLBSA-N 2 1 249.362 1.661 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414826544 398048586 /nfs/dbraw/zinc/04/85/86/398048586.db2.gz FQEHQFGKWGMMEL-MJBXVCDLSA-N 3 1 239.407 1.306 20 0 BDADMP CCN1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414826544 398048591 /nfs/dbraw/zinc/04/85/91/398048591.db2.gz FQEHQFGKWGMMEL-MJBXVCDLSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@@H]1CCCOC1 ZINC000389124861 398029229 /nfs/dbraw/zinc/02/92/29/398029229.db2.gz VTJGTMNIZPWISV-YNEHKIRRSA-N 2 1 226.364 1.533 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CC1 ZINC000414797578 398041547 /nfs/dbraw/zinc/04/15/47/398041547.db2.gz BGBFCIHAURNORW-CABCVRRESA-N 2 1 230.355 1.871 20 0 BDADMP CN(CC[NH+](C)C1CC1)C[C@H]1CCC[N@@H+]1C ZINC000649586823 397976439 /nfs/dbraw/zinc/97/64/39/397976439.db2.gz RCBBHIVYEJNXJE-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP CN(CC[NH+](C)C1CC1)C[C@H]1CCC[N@H+]1C ZINC000649586823 397976442 /nfs/dbraw/zinc/97/64/42/397976442.db2.gz RCBBHIVYEJNXJE-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP Cc1ccsc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282320 398050135 /nfs/dbraw/zinc/05/01/35/398050135.db2.gz OOTNZOOJYSOJMY-PHIMTYICSA-N 2 1 222.357 1.708 20 0 BDADMP CC[C@@H]1C[N@@H+](CCn2ccnc2)[C@@H](C)CO1 ZINC000649735842 398076783 /nfs/dbraw/zinc/07/67/83/398076783.db2.gz RLTSWWFPTYYGHD-NWDGAFQWSA-N 2 1 223.320 1.382 20 0 BDADMP CC[C@@H]1CN(CCn2ccnc2)[C@@H](C)CO1 ZINC000649735842 398076785 /nfs/dbraw/zinc/07/67/85/398076785.db2.gz RLTSWWFPTYYGHD-NWDGAFQWSA-N 2 1 223.320 1.382 20 0 BDADMP CN(Cc1cnc[nH]1)CC1([NH+](C)C)CCC1 ZINC000280192612 398054590 /nfs/dbraw/zinc/05/45/90/398054590.db2.gz IFACRBNZZYETPY-UHFFFAOYSA-N 2 1 222.336 1.326 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000308843244 398097378 /nfs/dbraw/zinc/09/73/78/398097378.db2.gz ZAPSECZZVHJTKM-KOLCDFICSA-N 2 1 225.361 1.675 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000527105193 398113582 /nfs/dbraw/zinc/11/35/82/398113582.db2.gz ZXKBFHMCKHMMRT-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000527105193 398113585 /nfs/dbraw/zinc/11/35/85/398113585.db2.gz ZXKBFHMCKHMMRT-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000527105193 398113590 /nfs/dbraw/zinc/11/35/90/398113590.db2.gz ZXKBFHMCKHMMRT-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000527105193 398113595 /nfs/dbraw/zinc/11/35/95/398113595.db2.gz ZXKBFHMCKHMMRT-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP C[C@@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436378 398130269 /nfs/dbraw/zinc/13/02/69/398130269.db2.gz PGPQDISKVNFHKQ-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000336755197 167215036 /nfs/dbraw/zinc/21/50/36/167215036.db2.gz XOEAUCIAGXASMI-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368318921 167214725 /nfs/dbraw/zinc/21/47/25/167214725.db2.gz UTVGBWLMBWXIMY-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368318921 167214728 /nfs/dbraw/zinc/21/47/28/167214728.db2.gz UTVGBWLMBWXIMY-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368318921 167214730 /nfs/dbraw/zinc/21/47/30/167214730.db2.gz UTVGBWLMBWXIMY-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342088831 167217717 /nfs/dbraw/zinc/21/77/17/167217717.db2.gz AQVODVWQMOYNSS-MJBXVCDLSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122346946 167234238 /nfs/dbraw/zinc/23/42/38/167234238.db2.gz LHPYLYUZHBXRHI-GHMZBOCLSA-N 2 1 200.326 1.081 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000383102664 487586998 /nfs/dbraw/zinc/58/69/98/487586998.db2.gz CEVMCRSKTOBQQH-MNOVXSKESA-N 2 1 237.347 1.905 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000383099285 487587169 /nfs/dbraw/zinc/58/71/69/487587169.db2.gz ZOELDUUMQACSGO-REWJHTLYSA-N 2 1 240.391 1.597 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000228163083 487594322 /nfs/dbraw/zinc/59/43/22/487594322.db2.gz HIFFUVSOJAFGJE-GXTWGEPZSA-N 2 1 240.391 1.731 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232449999 487594510 /nfs/dbraw/zinc/59/45/10/487594510.db2.gz QCCAOSSPEKGOQX-NEPJUHHUSA-N 2 1 212.337 1.145 20 0 BDADMP CCc1nocc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000662264770 409562186 /nfs/dbraw/zinc/56/21/86/409562186.db2.gz LJNSIGFGKFOBQT-UWVGGRQHSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000662264770 409562194 /nfs/dbraw/zinc/56/21/94/409562194.db2.gz LJNSIGFGKFOBQT-UWVGGRQHSA-N 2 1 223.320 1.406 20 0 BDADMP Cn1c[nH+]cc1CCCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662263868 409562418 /nfs/dbraw/zinc/56/24/18/409562418.db2.gz GBZNKDGPYWCNLC-CQSZACIVSA-N 2 1 248.374 1.179 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662248771 409549040 /nfs/dbraw/zinc/54/90/40/409549040.db2.gz DAMKBXKYTCKKRI-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP c1cnc2c(n1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000662314979 409635088 /nfs/dbraw/zinc/63/50/88/409635088.db2.gz CDXLNFOGZCGKCD-UHFFFAOYSA-N 2 1 246.358 1.224 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ncn1 ZINC000662272507 409576877 /nfs/dbraw/zinc/57/68/77/409576877.db2.gz GADVWKLQXDZIQY-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ncn1 ZINC000662272507 409576889 /nfs/dbraw/zinc/57/68/89/409576889.db2.gz GADVWKLQXDZIQY-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000308888514 409935335 /nfs/dbraw/zinc/93/53/35/409935335.db2.gz XJQBCCNSIORPBS-VXGBXAGGSA-N 3 1 215.385 1.434 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)CCCC[NH3+] ZINC000653176199 410151772 /nfs/dbraw/zinc/15/17/72/410151772.db2.gz MUVFDMLBCDGRGW-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000663514187 410285154 /nfs/dbraw/zinc/28/51/54/410285154.db2.gz OAXHQBIYHGFMRZ-WDEREUQCSA-N 2 1 224.323 1.954 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]CC2(C[NH3+])CC2)c(F)c1 ZINC000650716954 410355396 /nfs/dbraw/zinc/35/53/96/410355396.db2.gz NZWYYZRJNFCECE-UHFFFAOYSA-N 3 1 237.322 1.113 20 0 BDADMP c1cc2c(c(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c1)CCC2 ZINC000650703255 410335341 /nfs/dbraw/zinc/33/53/41/410335341.db2.gz RPLNYGQPEZORSK-GASCZTMLSA-N 2 1 242.366 1.827 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000650712143 410341303 /nfs/dbraw/zinc/34/13/03/410341303.db2.gz SJDCVVJKDZBZGI-GXTWGEPZSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713803 410344756 /nfs/dbraw/zinc/34/47/56/410344756.db2.gz CMXUHGSKCFDBRM-LLVKDONJSA-N 2 1 213.369 1.078 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)C1CCC1 ZINC000661151529 410304453 /nfs/dbraw/zinc/30/44/53/410304453.db2.gz JQRUEUVEKBVPJV-ZDUSSCGKSA-N 2 1 237.347 1.332 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000650740404 410373210 /nfs/dbraw/zinc/37/32/10/410373210.db2.gz LYGSEUUCFMZAIO-ZIAGYGMSSA-N 2 1 241.423 1.552 20 0 BDADMP [NH3+]CC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000650746026 410386001 /nfs/dbraw/zinc/38/60/01/410386001.db2.gz ULMWNQKYFFRZBM-QWHCGFSZSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@H](NCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000650761643 410410358 /nfs/dbraw/zinc/41/03/58/410410358.db2.gz GDXCIGJOLOBSSH-YPMHNXCESA-N 2 1 225.380 1.106 20 0 BDADMP CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380463 169748257 /nfs/dbraw/zinc/74/82/57/169748257.db2.gz NNWKWUHXYPXGBK-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380463 169748258 /nfs/dbraw/zinc/74/82/58/169748258.db2.gz NNWKWUHXYPXGBK-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC(C)(C)[NH3+] ZINC000664718220 410620482 /nfs/dbraw/zinc/62/04/82/410620482.db2.gz AIGXCGFMTYEJEJ-UHFFFAOYSA-N 2 1 243.395 1.350 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC[NH2+]1 ZINC000653279857 410631911 /nfs/dbraw/zinc/63/19/11/410631911.db2.gz BQQMLXJAAUAUGX-XQHKEYJVSA-N 3 1 225.380 1.186 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)CC1(C)C ZINC000309268266 410689944 /nfs/dbraw/zinc/68/99/44/410689944.db2.gz QOOFGHANSKGHMG-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)CC1(C)C ZINC000309268266 410689949 /nfs/dbraw/zinc/68/99/49/410689949.db2.gz QOOFGHANSKGHMG-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000309268266 410689952 /nfs/dbraw/zinc/68/99/52/410689952.db2.gz QOOFGHANSKGHMG-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000309268266 410689958 /nfs/dbraw/zinc/68/99/58/410689958.db2.gz QOOFGHANSKGHMG-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H](C)CF)CC1 ZINC000308578915 410721914 /nfs/dbraw/zinc/72/19/14/410721914.db2.gz FRORVUFJLGHMLZ-JTQLQIEISA-N 2 1 202.317 1.808 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274005 410743569 /nfs/dbraw/zinc/74/35/69/410743569.db2.gz HPBLYSDYNDNDPI-KXUCPTDWSA-N 2 1 232.318 1.865 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000393862717 410764375 /nfs/dbraw/zinc/76/43/75/410764375.db2.gz KOBDQQQFVFBZOC-MCIONIFRSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000308887957 410788192 /nfs/dbraw/zinc/78/81/92/410788192.db2.gz XJQBCCNSIORPBS-NEPJUHHUSA-N 3 1 215.385 1.434 20 0 BDADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000665297810 410823389 /nfs/dbraw/zinc/82/33/89/410823389.db2.gz LZAFFJPLNYVOTE-LOWDOPEQSA-N 2 1 225.380 1.057 20 0 BDADMP Cc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000395074815 410836335 /nfs/dbraw/zinc/83/63/35/410836335.db2.gz TWMQRDAPOZMHQS-CHWSQXEVSA-N 2 1 234.318 1.785 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(N)c1 ZINC000653299415 410818557 /nfs/dbraw/zinc/81/85/57/410818557.db2.gz SUAAUWQMZRGCLT-GWCFXTLKSA-N 2 1 219.332 1.580 20 0 BDADMP CC(C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000128560742 167114044 /nfs/dbraw/zinc/11/40/44/167114044.db2.gz VPJWPZBPGMWOAN-HNNXBMFYSA-N 2 1 248.370 1.621 20 0 BDADMP CC(C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000128560742 167114048 /nfs/dbraw/zinc/11/40/48/167114048.db2.gz VPJWPZBPGMWOAN-HNNXBMFYSA-N 2 1 248.370 1.621 20 0 BDADMP CC(C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000335497276 167136230 /nfs/dbraw/zinc/13/62/30/167136230.db2.gz SKGLLVJJQAJNTH-QWHCGFSZSA-N 2 1 204.317 1.740 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)CCF)[C@@H](C)C1 ZINC000652019084 410999240 /nfs/dbraw/zinc/99/92/40/410999240.db2.gz JIYCNMMVPJLCQP-SRVKXCTJSA-N 2 1 232.343 1.027 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309322485 411028742 /nfs/dbraw/zinc/02/87/42/411028742.db2.gz HFDRYQUOZOGSAF-QWHCGFSZSA-N 3 1 229.412 1.824 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCOCC1 ZINC000309926875 169799733 /nfs/dbraw/zinc/79/97/33/169799733.db2.gz VRVWPWRHZFYBQE-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000127513059 169800308 /nfs/dbraw/zinc/80/03/08/169800308.db2.gz DFNMTJGADDDDHP-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[NH+](C)C[C@H]1C ZINC000651865664 411147725 /nfs/dbraw/zinc/14/77/25/411147725.db2.gz CPUZCZURDWCWFF-KGLIPLIRSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000651865664 411147726 /nfs/dbraw/zinc/14/77/26/411147726.db2.gz CPUZCZURDWCWFF-KGLIPLIRSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000651865664 411147727 /nfs/dbraw/zinc/14/77/27/411147727.db2.gz CPUZCZURDWCWFF-KGLIPLIRSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000651865147 411148039 /nfs/dbraw/zinc/14/80/39/411148039.db2.gz OVHNRCVCWAGKTI-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000082666939 411152406 /nfs/dbraw/zinc/15/24/06/411152406.db2.gz WFWLODQYNNXXKN-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1noc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)n1 ZINC000655949200 411161870 /nfs/dbraw/zinc/16/18/70/411161870.db2.gz PJZOVNDAGFUFHL-LLVKDONJSA-N 2 1 238.335 1.200 20 0 BDADMP Cc1noc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)n1 ZINC000655949200 411161872 /nfs/dbraw/zinc/16/18/72/411161872.db2.gz PJZOVNDAGFUFHL-LLVKDONJSA-N 2 1 238.335 1.200 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000653779840 411168911 /nfs/dbraw/zinc/16/89/11/411168911.db2.gz FVTLEFXBUZLBST-QWRGUYRKSA-N 2 1 248.317 1.030 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000653779840 411168913 /nfs/dbraw/zinc/16/89/13/411168913.db2.gz FVTLEFXBUZLBST-QWRGUYRKSA-N 2 1 248.317 1.030 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653779840 411168915 /nfs/dbraw/zinc/16/89/15/411168915.db2.gz FVTLEFXBUZLBST-QWRGUYRKSA-N 2 1 248.317 1.030 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653779840 411168917 /nfs/dbraw/zinc/16/89/17/411168917.db2.gz FVTLEFXBUZLBST-QWRGUYRKSA-N 2 1 248.317 1.030 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000653677736 411169285 /nfs/dbraw/zinc/16/92/85/411169285.db2.gz BUUYCSXGOBLBNI-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000653677736 411169289 /nfs/dbraw/zinc/16/92/89/411169289.db2.gz BUUYCSXGOBLBNI-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000653677736 411169293 /nfs/dbraw/zinc/16/92/93/411169293.db2.gz BUUYCSXGOBLBNI-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CCO[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C[NH3+] ZINC000405855608 411191270 /nfs/dbraw/zinc/19/12/70/411191270.db2.gz LHSDFDAZMNDWHL-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCn2nccc21)C[NH+](C)C ZINC000658019515 411199962 /nfs/dbraw/zinc/19/99/62/411199962.db2.gz ZVLAZZJXOBJTET-VXGBXAGGSA-N 2 1 236.363 1.505 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000656193305 411200798 /nfs/dbraw/zinc/20/07/98/411200798.db2.gz FKXNKXBVLAPIMM-SGMGOOAPSA-N 2 1 233.359 1.600 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000656197363 411203324 /nfs/dbraw/zinc/20/33/24/411203324.db2.gz CMTPZJUMBDNTKF-GHMZBOCLSA-N 2 1 223.295 1.580 20 0 BDADMP CCC1(CC)CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652338361 411204120 /nfs/dbraw/zinc/20/41/20/411204120.db2.gz XCQKFWFMVSBBSV-GFCCVEGCSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000656201237 411206224 /nfs/dbraw/zinc/20/62/24/411206224.db2.gz LADZTLZSCVLJQC-SGMGOOAPSA-N 2 1 233.359 1.743 20 0 BDADMP O[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000652353357 411211803 /nfs/dbraw/zinc/21/18/03/411211803.db2.gz BLQHFKQUPPXUPT-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653901924 411216379 /nfs/dbraw/zinc/21/63/79/411216379.db2.gz GQPFYEJTDAJSKY-LLVKDONJSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H](C)O)C1CC1 ZINC000653901924 411216382 /nfs/dbraw/zinc/21/63/82/411216382.db2.gz GQPFYEJTDAJSKY-LLVKDONJSA-N 2 1 237.347 1.427 20 0 BDADMP COCCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422827724 411234048 /nfs/dbraw/zinc/23/40/48/411234048.db2.gz SNZABIXYKNPGQL-NSHDSACASA-N 2 1 237.347 1.961 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000310360593 411235418 /nfs/dbraw/zinc/23/54/18/411235418.db2.gz JZVMNOFYWBJDLN-ZDUSSCGKSA-N 2 1 236.363 1.153 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000310360593 411235419 /nfs/dbraw/zinc/23/54/19/411235419.db2.gz JZVMNOFYWBJDLN-ZDUSSCGKSA-N 2 1 236.363 1.153 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCC2)CC[N@@H+]1C ZINC000658086172 411235872 /nfs/dbraw/zinc/23/58/72/411235872.db2.gz FMUDUDJOWJTZFN-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCC2)CC[N@H+]1C ZINC000658086172 411235875 /nfs/dbraw/zinc/23/58/75/411235875.db2.gz FMUDUDJOWJTZFN-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCC2)CC[N@@H+]1C ZINC000658086174 411236106 /nfs/dbraw/zinc/23/61/06/411236106.db2.gz FMUDUDJOWJTZFN-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCC2)CC[N@H+]1C ZINC000658086174 411236111 /nfs/dbraw/zinc/23/61/11/411236111.db2.gz FMUDUDJOWJTZFN-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP CC1(C)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H]2CCCO[C@H]21 ZINC000423193449 411238233 /nfs/dbraw/zinc/23/82/33/411238233.db2.gz QSULZDFQPKPGBW-FDYHWXHSSA-N 2 1 238.375 1.532 20 0 BDADMP Cc1nc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cs1 ZINC000423307180 411238777 /nfs/dbraw/zinc/23/87/77/411238777.db2.gz MTRKXYNYZYHRER-JGVFFNPUSA-N 2 1 213.350 1.697 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000396726910 411240461 /nfs/dbraw/zinc/24/04/61/411240461.db2.gz ZDZBJCQGKAGLHE-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP c1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000111356922 411166569 /nfs/dbraw/zinc/16/65/69/411166569.db2.gz YTTCZAFETTUDMF-VXGBXAGGSA-N 2 1 220.320 1.126 20 0 BDADMP c1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000111356922 411166571 /nfs/dbraw/zinc/16/65/71/411166571.db2.gz YTTCZAFETTUDMF-VXGBXAGGSA-N 2 1 220.320 1.126 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000401699116 411286215 /nfs/dbraw/zinc/28/62/15/411286215.db2.gz NEBCVMCSANXHMA-DGCLKSJQSA-N 2 1 236.334 1.956 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000401699115 411286466 /nfs/dbraw/zinc/28/64/66/411286466.db2.gz NEBCVMCSANXHMA-AAEUAGOBSA-N 2 1 236.334 1.956 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)CC[N@H+]1C ZINC000658202068 411291379 /nfs/dbraw/zinc/29/13/79/411291379.db2.gz UPFZLGNAFRIDLK-DGCLKSJQSA-N 2 1 222.332 1.894 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661831432 411317305 /nfs/dbraw/zinc/31/73/05/411317305.db2.gz OHKUEMNQNUYAKX-QWHCGFSZSA-N 2 1 249.358 1.475 20 0 BDADMP COC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000653475851 411318525 /nfs/dbraw/zinc/31/85/25/411318525.db2.gz NNZYOYYKQBDOJD-UHFFFAOYSA-N 2 1 237.347 1.464 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782546 411359417 /nfs/dbraw/zinc/35/94/17/411359417.db2.gz HJMLFPSAEPUYJE-CYBMUJFWSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)[NH3+] ZINC000656784557 411361225 /nfs/dbraw/zinc/36/12/25/411361225.db2.gz BWSFUAIDBPKOCJ-WDEREUQCSA-N 3 1 233.359 1.158 20 0 BDADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403851484 411363164 /nfs/dbraw/zinc/36/31/64/411363164.db2.gz WRCSRLIGLWIKNJ-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCCC1CCC1)C1CC1 ZINC000656710882 411337160 /nfs/dbraw/zinc/33/71/60/411337160.db2.gz NKZOBSJFCBROPR-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCC1CCC1)C1CC1 ZINC000656710882 411337162 /nfs/dbraw/zinc/33/71/62/411337162.db2.gz NKZOBSJFCBROPR-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@@H+]1CC=C(C)CC1 ZINC000359564806 168110900 /nfs/dbraw/zinc/11/09/00/168110900.db2.gz LLUFWJNLRIIJSI-UHFFFAOYSA-N 2 1 231.343 1.876 20 0 BDADMP CC1=CC[N@H+](CCNC2CC[NH+](C)CC2)CC1 ZINC000358224754 168112872 /nfs/dbraw/zinc/11/28/72/168112872.db2.gz KGROXYNLPNLSTQ-UHFFFAOYSA-N 2 1 237.391 1.322 20 0 BDADMP CC1=CC[N@@H+](CCNC2CC[NH+](C)CC2)CC1 ZINC000358224754 168112873 /nfs/dbraw/zinc/11/28/73/168112873.db2.gz KGROXYNLPNLSTQ-UHFFFAOYSA-N 2 1 237.391 1.322 20 0 BDADMP CC(C)[NH2+]CC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000659285648 411388862 /nfs/dbraw/zinc/38/88/62/411388862.db2.gz PLCUYGNZIJMODT-UHFFFAOYSA-N 2 1 236.319 1.084 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404370278 411392766 /nfs/dbraw/zinc/39/27/66/411392766.db2.gz IRFZZBCRKQBKQG-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000404409880 411394255 /nfs/dbraw/zinc/39/42/55/411394255.db2.gz BYPHBYIXBKEEHY-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647880307 411412586 /nfs/dbraw/zinc/41/25/86/411412586.db2.gz FCAVLJDYELXGIQ-HIFRSBDPSA-N 2 1 248.370 1.479 20 0 BDADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647880309 411412906 /nfs/dbraw/zinc/41/29/06/411412906.db2.gz FCAVLJDYELXGIQ-ZFWWWQNUSA-N 2 1 248.370 1.479 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc3c[nH]nc3c2)CCC1 ZINC000414890675 411462240 /nfs/dbraw/zinc/46/22/40/411462240.db2.gz USIJMFKRKJYBJT-UHFFFAOYSA-N 2 1 230.315 1.534 20 0 BDADMP COCC1([N@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000653593564 411427985 /nfs/dbraw/zinc/42/79/85/411427985.db2.gz FVELQHOVTYZWEH-UHFFFAOYSA-N 2 1 237.347 1.464 20 0 BDADMP COCC1([N@@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000653593564 411427988 /nfs/dbraw/zinc/42/79/88/411427988.db2.gz FVELQHOVTYZWEH-UHFFFAOYSA-N 2 1 237.347 1.464 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)CO1 ZINC000657317404 411462825 /nfs/dbraw/zinc/46/28/25/411462825.db2.gz AOWAPYXYBRVGFI-QWHCGFSZSA-N 2 1 237.347 1.739 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)(F)C2)CC[NH2+]1 ZINC000414755968 411443720 /nfs/dbraw/zinc/44/37/20/411443720.db2.gz IOJNFKVTLXEEGS-GRYCIOLGSA-N 2 1 214.328 1.808 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)C2(CN)CCC2)CC[NH2+]1 ZINC000414789441 411446118 /nfs/dbraw/zinc/44/61/18/411446118.db2.gz OJOMCCAJGSYOFL-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@H](CN(C)C2(C[NH3+])CCC2)CC[NH2+]1 ZINC000414789441 411446120 /nfs/dbraw/zinc/44/61/20/411446120.db2.gz OJOMCCAJGSYOFL-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP c1[nH+]c2c(n1C[C@H]1CC[NH2+]C1)CCCC2 ZINC000127328824 411484671 /nfs/dbraw/zinc/48/46/71/411484671.db2.gz GKQGPTPUACVEAA-JTQLQIEISA-N 2 1 205.305 1.371 20 0 BDADMP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000415089067 411491952 /nfs/dbraw/zinc/49/19/52/411491952.db2.gz XFSZGWLHNFXAEZ-YNEHKIRRSA-N 2 1 240.391 1.779 20 0 BDADMP COC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000053174510 411493345 /nfs/dbraw/zinc/49/33/45/411493345.db2.gz ZJYZGAFFDLUKLL-JTQLQIEISA-N 2 1 212.337 1.238 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657426845 411503816 /nfs/dbraw/zinc/50/38/16/411503816.db2.gz GPPGGCGOIZOQTE-UHFFFAOYSA-N 2 1 246.358 1.181 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)CO1 ZINC000657450107 411511870 /nfs/dbraw/zinc/51/18/70/411511870.db2.gz IMUIVGLNWIYYSQ-YNEHKIRRSA-N 2 1 249.358 1.603 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000660000702 411526889 /nfs/dbraw/zinc/52/68/89/411526889.db2.gz ZIIAOJGCRANBCX-XQQFMLRXSA-N 2 1 228.380 1.560 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CO1 ZINC000657491136 411532018 /nfs/dbraw/zinc/53/20/18/411532018.db2.gz CGUIKWMHSPFDJX-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000296026762 170007679 /nfs/dbraw/zinc/00/76/79/170007679.db2.gz PUMRYLSZAVXWIK-QWRGUYRKSA-N 2 1 222.336 1.402 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367596087 170009540 /nfs/dbraw/zinc/00/95/40/170009540.db2.gz DBDLQSPWQDWUHS-WCQYABFASA-N 2 1 248.374 1.719 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C)COC2)[C@H](C)C1 ZINC000336714350 170010596 /nfs/dbraw/zinc/01/05/96/170010596.db2.gz TUEWRMYYWUDMMQ-CHWSQXEVSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C)COC2)[C@H](C)C1 ZINC000336714350 170010597 /nfs/dbraw/zinc/01/05/97/170010597.db2.gz TUEWRMYYWUDMMQ-CHWSQXEVSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C)COC2)[C@H](C)C1 ZINC000336714350 170010599 /nfs/dbraw/zinc/01/05/99/170010599.db2.gz TUEWRMYYWUDMMQ-CHWSQXEVSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000340189016 170016642 /nfs/dbraw/zinc/01/66/42/170016642.db2.gz SIGVGVBEZJMWOJ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)C)C[C@H]1C ZINC000336710122 170017919 /nfs/dbraw/zinc/01/79/19/170017919.db2.gz OUVFDSAHVKAFNK-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)C(C)C)C[C@H]1C ZINC000336710122 170017921 /nfs/dbraw/zinc/01/79/21/170017921.db2.gz OUVFDSAHVKAFNK-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)C(C)C)C[C@H]1C ZINC000336710122 170017922 /nfs/dbraw/zinc/01/79/22/170017922.db2.gz OUVFDSAHVKAFNK-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)O)C[C@H]1C ZINC000336691411 170017985 /nfs/dbraw/zinc/01/79/85/170017985.db2.gz LNZMECABCNOBID-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)O)C[C@H]1C ZINC000336691411 170017986 /nfs/dbraw/zinc/01/79/86/170017986.db2.gz LNZMECABCNOBID-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)O)C[C@H]1C ZINC000336691411 170017987 /nfs/dbraw/zinc/01/79/87/170017987.db2.gz LNZMECABCNOBID-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000358024639 170020926 /nfs/dbraw/zinc/02/09/26/170020926.db2.gz RWGIJINRHXGBFQ-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)OC)[C@H](C)C1 ZINC000336777493 170021372 /nfs/dbraw/zinc/02/13/72/170021372.db2.gz IQJZUEDFBXPHOY-UPJWGTAASA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)[C@H](C)C1 ZINC000133479036 170021600 /nfs/dbraw/zinc/02/16/00/170021600.db2.gz VNWTWSIJNHDOPG-HIFRSBDPSA-N 2 1 247.386 1.944 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000336885762 170021993 /nfs/dbraw/zinc/02/19/93/170021993.db2.gz AWSZURGFQSPAHL-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000336885762 170021995 /nfs/dbraw/zinc/02/19/95/170021995.db2.gz AWSZURGFQSPAHL-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000336885762 170021997 /nfs/dbraw/zinc/02/19/97/170021997.db2.gz AWSZURGFQSPAHL-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)[C@H](C)C1 ZINC000336777293 170022983 /nfs/dbraw/zinc/02/29/83/170022983.db2.gz IAASXGZKKZLXKH-LPWJVIDDSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccn1 ZINC000657532171 411545127 /nfs/dbraw/zinc/54/51/27/411545127.db2.gz FTWSGUQSXWFOLO-GFCCVEGCSA-N 2 1 233.359 1.869 20 0 BDADMP CCOC(=O)C[N@@H+](CC1CC[NH2+]CC1)C(C)C ZINC000094026069 170216509 /nfs/dbraw/zinc/21/65/09/170216509.db2.gz PQOZODDNCIEKSD-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP CCOC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199698 170218484 /nfs/dbraw/zinc/21/84/84/170218484.db2.gz LYKOEHSTNFPOOX-LBPRGKRZSA-N 2 1 240.347 1.014 20 0 BDADMP CCOCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336681891 170374975 /nfs/dbraw/zinc/37/49/75/170374975.db2.gz RVBOSZYWRAPZQA-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCC[N@@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000082537251 170394149 /nfs/dbraw/zinc/39/41/49/170394149.db2.gz JGPNHWORWLPJME-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP C([NH2+][C@@H]1CCOC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345933 411632402 /nfs/dbraw/zinc/63/24/02/411632402.db2.gz PDOPOQKHZXNFIN-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C)CC2)O1 ZINC000657663649 411576606 /nfs/dbraw/zinc/57/66/06/411576606.db2.gz JZGCYSGUBITDDS-AAEUAGOBSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000660655459 411613004 /nfs/dbraw/zinc/61/30/04/411613004.db2.gz IANWUSRWGHHGMR-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000660655459 411613005 /nfs/dbraw/zinc/61/30/05/411613005.db2.gz IANWUSRWGHHGMR-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000660655459 411613007 /nfs/dbraw/zinc/61/30/07/411613007.db2.gz IANWUSRWGHHGMR-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCCO)C2 ZINC000660658159 411615018 /nfs/dbraw/zinc/61/50/18/411615018.db2.gz DAZQKWLUHQUFEA-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCCO)C2 ZINC000660658159 411615019 /nfs/dbraw/zinc/61/50/19/411615019.db2.gz DAZQKWLUHQUFEA-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCCO)C2 ZINC000660658159 411615021 /nfs/dbraw/zinc/61/50/21/411615021.db2.gz DAZQKWLUHQUFEA-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCOCCF)CC[N@H+]1C ZINC000663460671 411662098 /nfs/dbraw/zinc/66/20/98/411662098.db2.gz CMFSLRZFOUERLC-GHMZBOCLSA-N 2 1 218.316 1.045 20 0 BDADMP C[N@@H+]1CCO[C@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663481069 411670110 /nfs/dbraw/zinc/67/01/10/411670110.db2.gz VIVWSLUZYGPMOL-SNVBAGLBSA-N 2 1 246.314 1.305 20 0 BDADMP C[N@H+]1CCO[C@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663481069 411670113 /nfs/dbraw/zinc/67/01/13/411670113.db2.gz VIVWSLUZYGPMOL-SNVBAGLBSA-N 2 1 246.314 1.305 20 0 BDADMP Fc1ccccc1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499179 411681545 /nfs/dbraw/zinc/68/15/45/411681545.db2.gz BSGLQMVSTYYYIY-UHFFFAOYSA-N 2 1 234.318 1.710 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000663502502 411685526 /nfs/dbraw/zinc/68/55/26/411685526.db2.gz IAMVQTFLRJEYOL-GRYCIOLGSA-N 3 1 213.369 1.219 20 0 BDADMP Cc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)nn1C ZINC000663503921 411686982 /nfs/dbraw/zinc/68/69/82/411686982.db2.gz TXVGOKJAQYOFIB-GFCCVEGCSA-N 2 1 224.352 1.192 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000663514170 411695560 /nfs/dbraw/zinc/69/55/60/411695560.db2.gz NTANFZKUSJFBCJ-LBPRGKRZSA-N 2 1 221.348 1.520 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661231413 411733943 /nfs/dbraw/zinc/73/39/43/411733943.db2.gz MMYQEDDOLROBRS-DGCLKSJQSA-N 2 1 242.407 1.856 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661231413 411733945 /nfs/dbraw/zinc/73/39/45/411733945.db2.gz MMYQEDDOLROBRS-DGCLKSJQSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]1COC2(CCC2)C[N@H+]1CCCn1ccnc1 ZINC000661470359 411782500 /nfs/dbraw/zinc/78/25/00/411782500.db2.gz SCIBDNWMRYTRKY-ZDUSSCGKSA-N 2 1 249.358 1.917 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)c2ccccc21 ZINC000132211138 411843154 /nfs/dbraw/zinc/84/31/54/411843154.db2.gz YEWXXMMRMZWOAK-CHWSQXEVSA-N 2 1 232.327 1.493 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(COC2)C1 ZINC000662073770 411973571 /nfs/dbraw/zinc/97/35/71/411973571.db2.gz LYRRDXHZGINRJJ-LBPRGKRZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC2(COC2)C1 ZINC000662073770 411973574 /nfs/dbraw/zinc/97/35/74/411973574.db2.gz LYRRDXHZGINRJJ-LBPRGKRZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC2(COC2)C1 ZINC000662073770 411973580 /nfs/dbraw/zinc/97/35/80/411973580.db2.gz LYRRDXHZGINRJJ-LBPRGKRZSA-N 2 1 224.348 1.193 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000303987904 170928184 /nfs/dbraw/zinc/92/81/84/170928184.db2.gz JOYHFCVKMGWIEG-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000662215023 412028410 /nfs/dbraw/zinc/02/84/10/412028410.db2.gz DSAQPNPWDIGGOC-GXTWGEPZSA-N 2 1 240.391 1.469 20 0 BDADMP CO[C@H](C[N@@H+](C)C1CC[NH2+]CC1)C1CCCC1 ZINC000662238728 412034833 /nfs/dbraw/zinc/03/48/33/412034833.db2.gz UWVNAWSPRPSQPY-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCO[C@H]1CC1(F)F)C1CC[NH2+]CC1 ZINC000662238456 412035660 /nfs/dbraw/zinc/03/56/60/412035660.db2.gz QBTRLHNPBHZBBZ-JTQLQIEISA-N 2 1 234.290 1.094 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)CC1CC[NH2+]CC1 ZINC000662237550 412035790 /nfs/dbraw/zinc/03/57/90/412035790.db2.gz WNFWQVFWGAZDQJ-GFCCVEGCSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1[NH3+] ZINC000662242937 412037721 /nfs/dbraw/zinc/03/77/21/412037721.db2.gz FOIITAUPCVRVFJ-UJPOAAIJSA-N 2 1 208.349 1.702 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C1CCC1 ZINC000662243233 412038491 /nfs/dbraw/zinc/03/84/91/412038491.db2.gz GYBUIDVWTLTTOI-WCFLWFBJSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+])C1CCC1 ZINC000662243414 412038732 /nfs/dbraw/zinc/03/87/32/412038732.db2.gz AGVYSEYWXJFPPA-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+])C1CCC1 ZINC000662243414 412038736 /nfs/dbraw/zinc/03/87/36/412038736.db2.gz AGVYSEYWXJFPPA-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000662245252 412041740 /nfs/dbraw/zinc/04/17/40/412041740.db2.gz JMCNDVPBJUQHTA-ZJUUUORDSA-N 2 1 220.307 1.948 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cc(C)nc(C)n2)CC[C@H]1[NH3+] ZINC000662270131 412059673 /nfs/dbraw/zinc/05/96/73/412059673.db2.gz IMLHAGDYBADSTR-GXTWGEPZSA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cc(C)nc(C)n2)CC[C@H]1[NH3+] ZINC000662270131 412059676 /nfs/dbraw/zinc/05/96/76/412059676.db2.gz IMLHAGDYBADSTR-GXTWGEPZSA-N 2 1 248.374 1.653 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662246372 412042927 /nfs/dbraw/zinc/04/29/27/412042927.db2.gz ROPLTMHPPIZTQZ-FPMFFAJLSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662247484 412044167 /nfs/dbraw/zinc/04/41/67/412044167.db2.gz ZZOLLEZTBAKFSZ-AAEUAGOBSA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662247484 412044168 /nfs/dbraw/zinc/04/41/68/412044168.db2.gz ZZOLLEZTBAKFSZ-AAEUAGOBSA-N 2 1 248.374 1.653 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662247555 412045192 /nfs/dbraw/zinc/04/51/92/412045192.db2.gz XPUFULZXVOHERZ-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251530 412048789 /nfs/dbraw/zinc/04/87/89/412048789.db2.gz GMOIABHHBWRFQQ-ZDUSSCGKSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](CC1CCCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253255 412049499 /nfs/dbraw/zinc/04/94/99/412049499.db2.gz GVEFDJRXPULIDF-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000662259153 412053238 /nfs/dbraw/zinc/05/32/38/412053238.db2.gz RBOKMRDZMSYQNP-IJLUTSLNSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCO[C@@H]1CC1(F)F ZINC000662264325 412054486 /nfs/dbraw/zinc/05/44/86/412054486.db2.gz ILDVDOVSIWGQNW-OPRDCNLKSA-N 2 1 234.290 1.080 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662259155 412054600 /nfs/dbraw/zinc/05/46/00/412054600.db2.gz RBOKMRDZMSYQNP-WOPDTQHZSA-N 2 1 224.348 1.238 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000662264574 412056300 /nfs/dbraw/zinc/05/63/00/412056300.db2.gz DTJHEIJWKYDBIY-ITGHMWBKSA-N 2 1 220.360 1.859 20 0 BDADMP CCC[N@H+](Cc1conc1C)C1CC[NH2+]CC1 ZINC000662265121 412056890 /nfs/dbraw/zinc/05/68/90/412056890.db2.gz UUUJVEDYTNYOAX-UHFFFAOYSA-N 2 1 237.347 1.947 20 0 BDADMP CCC[N@@H+](Cc1conc1C)C1CC[NH2+]CC1 ZINC000662265121 412056893 /nfs/dbraw/zinc/05/68/93/412056893.db2.gz UUUJVEDYTNYOAX-UHFFFAOYSA-N 2 1 237.347 1.947 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCOCC[NH3+] ZINC000136250592 171053050 /nfs/dbraw/zinc/05/30/50/171053050.db2.gz NCTYCWHIQAYBIX-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCCCC1(C)C ZINC000662278645 412071604 /nfs/dbraw/zinc/07/16/04/412071604.db2.gz ZTWNGSRGRHBUMG-VXGBXAGGSA-N 2 1 228.380 1.454 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1O ZINC000341009153 171085140 /nfs/dbraw/zinc/08/51/40/171085140.db2.gz LMEPQFPIKUKNOE-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000341009153 171085142 /nfs/dbraw/zinc/08/51/42/171085142.db2.gz LMEPQFPIKUKNOE-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000341009153 171085144 /nfs/dbraw/zinc/08/51/44/171085144.db2.gz LMEPQFPIKUKNOE-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889604 171114837 /nfs/dbraw/zinc/11/48/37/171114837.db2.gz AVHDGDZCKLTXJA-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889604 171114839 /nfs/dbraw/zinc/11/48/39/171114839.db2.gz AVHDGDZCKLTXJA-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C1=CCC(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000662274384 412065070 /nfs/dbraw/zinc/06/50/70/412065070.db2.gz HCEXUPULNRCBDR-QWHCGFSZSA-N 2 1 206.333 1.636 20 0 BDADMP COC[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)OC ZINC000662276178 412067440 /nfs/dbraw/zinc/06/74/40/412067440.db2.gz GPTJCRLJSXAPTL-CHWSQXEVSA-N 2 1 244.379 1.145 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1CC=CC1 ZINC000662277587 412068884 /nfs/dbraw/zinc/06/88/84/412068884.db2.gz QGLXIRVLMMLNBF-NQBHXWOUSA-N 2 1 208.349 1.929 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662279836 412070742 /nfs/dbraw/zinc/07/07/42/412070742.db2.gz MEYDOFZTHBUCHI-XQQFMLRXSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@]1(C)COCC[N@H+]1CCn1ccnc1 ZINC000336687154 171205366 /nfs/dbraw/zinc/20/53/66/171205366.db2.gz XJFJIFODQXHIDW-LBPRGKRZSA-N 2 1 223.320 1.384 20 0 BDADMP CC[C@@]1(C)COCCN1CCn1ccnc1 ZINC000336687154 171205368 /nfs/dbraw/zinc/20/53/68/171205368.db2.gz XJFJIFODQXHIDW-LBPRGKRZSA-N 2 1 223.320 1.384 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000662297126 412083422 /nfs/dbraw/zinc/08/34/22/412083422.db2.gz BCGKOIWXOIHHKW-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662302861 412083661 /nfs/dbraw/zinc/08/36/61/412083661.db2.gz OOXGVBJLEGGRDF-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)[NH+](C)C ZINC000126515224 171307157 /nfs/dbraw/zinc/30/71/57/171307157.db2.gz CXDNQKBAEVVXLY-NWDGAFQWSA-N 2 1 243.395 1.173 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000336732936 171308896 /nfs/dbraw/zinc/30/88/96/171308896.db2.gz JSNVWNHWHNHHKQ-FRRDWIJNSA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000336732936 171308898 /nfs/dbraw/zinc/30/88/98/171308898.db2.gz JSNVWNHWHNHHKQ-FRRDWIJNSA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336732936 171308900 /nfs/dbraw/zinc/30/89/00/171308900.db2.gz JSNVWNHWHNHHKQ-FRRDWIJNSA-N 2 1 227.396 1.256 20 0 BDADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000662300953 412085706 /nfs/dbraw/zinc/08/57/06/412085706.db2.gz NVYYFJVLHNNLAM-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000228509202 171395887 /nfs/dbraw/zinc/39/58/87/171395887.db2.gz CRJKPTLMDMLVAO-TUAOUCFPSA-N 2 1 243.395 1.206 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000662311472 412093929 /nfs/dbraw/zinc/09/39/29/412093929.db2.gz SMMSYMSJMQZJDH-RYUDHWBXSA-N 2 1 232.343 1.028 20 0 BDADMP FCC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000662312188 412094472 /nfs/dbraw/zinc/09/44/72/412094472.db2.gz XAZLQCWLYBTLIF-RYUDHWBXSA-N 2 1 214.328 1.668 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317069 412097941 /nfs/dbraw/zinc/09/79/41/412097941.db2.gz MKIOEENNWGMIJC-ZIAGYGMSSA-N 2 1 240.391 1.469 20 0 BDADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000662319949 412100045 /nfs/dbraw/zinc/10/00/45/412100045.db2.gz RCTLZRKMFCJRDE-FOIKRFTLSA-N 2 1 208.349 1.859 20 0 BDADMP CCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321466 412101337 /nfs/dbraw/zinc/10/13/37/412101337.db2.gz ISESZOOGBPVFQG-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP Cc1ccncc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665239631 412181202 /nfs/dbraw/zinc/18/12/02/412181202.db2.gz WDSVPLIGGQBDDC-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)C1C[NH2+]C1 ZINC000665273848 412214986 /nfs/dbraw/zinc/21/49/86/412214986.db2.gz FOTGBVGAJUUKMV-SNVBAGLBSA-N 2 1 248.374 1.385 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249598 412195109 /nfs/dbraw/zinc/19/51/09/412195109.db2.gz UEVOTDXOURIQAR-AAEUAGOBSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665249598 412195111 /nfs/dbraw/zinc/19/51/11/412195111.db2.gz UEVOTDXOURIQAR-AAEUAGOBSA-N 2 1 237.391 1.330 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH2+]C ZINC000662532579 412206932 /nfs/dbraw/zinc/20/69/32/412206932.db2.gz RRIITTALJGQOLB-RYUDHWBXSA-N 2 1 243.395 1.221 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH2+]C(C)C ZINC000662532109 412207670 /nfs/dbraw/zinc/20/76/70/412207670.db2.gz NHDXERAWESYWAB-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000665274608 412216820 /nfs/dbraw/zinc/21/68/20/412216820.db2.gz UKMZCXYTGMCUMS-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279350 412219218 /nfs/dbraw/zinc/21/92/18/412219218.db2.gz ASIPBJBHUXAORR-QFWMXSHPSA-N 2 1 220.316 1.552 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000665280691 412224980 /nfs/dbraw/zinc/22/49/80/412224980.db2.gz JBXLTCHAIDZEEX-YUTCNCBUSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000665280691 412224982 /nfs/dbraw/zinc/22/49/82/412224982.db2.gz JBXLTCHAIDZEEX-YUTCNCBUSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCn2ccnc21 ZINC000665282421 412228203 /nfs/dbraw/zinc/22/82/03/412228203.db2.gz XXCNYZMWLVIIIE-MNOVXSKESA-N 2 1 222.336 1.291 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000665284045 412230061 /nfs/dbraw/zinc/23/00/61/412230061.db2.gz ZKXSHVZAYRERGI-TUAOUCFPSA-N 3 1 213.369 1.077 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000665295886 412234410 /nfs/dbraw/zinc/23/44/10/412234410.db2.gz LAOOCQUJQLEJMP-IRCOFANPSA-N 2 1 226.364 1.388 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H](C)C[NH2+]C)C[C@H]1OC ZINC000665296900 412245357 /nfs/dbraw/zinc/24/53/57/412245357.db2.gz ZKYBZUWEDYJRBC-QJPTWQEYSA-N 2 1 228.380 1.778 20 0 BDADMP CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000045954977 171768008 /nfs/dbraw/zinc/76/80/08/171768008.db2.gz LZGXOZKSAHUQIH-NSHDSACASA-N 2 1 234.347 1.759 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000050267898 172995565 /nfs/dbraw/zinc/99/55/65/172995565.db2.gz RKPSLVPDUPBEKF-LBPRGKRZSA-N 2 1 210.321 1.363 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CCO[C@H]2CCC[C@@H]21 ZINC000336683389 173026897 /nfs/dbraw/zinc/02/68/97/173026897.db2.gz DSANTGNXZGMPHP-RDBSUJKOSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367245646 173027065 /nfs/dbraw/zinc/02/70/65/173027065.db2.gz ZLUMFMKRPTWELW-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC000336323140 173061825 /nfs/dbraw/zinc/06/18/25/173061825.db2.gz PBRVFBYULUMNSO-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000336323140 173061827 /nfs/dbraw/zinc/06/18/27/173061827.db2.gz PBRVFBYULUMNSO-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC000336323140 173061830 /nfs/dbraw/zinc/06/18/30/173061830.db2.gz PBRVFBYULUMNSO-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]CCO)C[C@@H]1c1ccccc1 ZINC000340181243 173123024 /nfs/dbraw/zinc/12/30/24/173123024.db2.gz NTGRGKKFVPLZQY-ZIAGYGMSSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCO)C[C@@H]1c1ccccc1 ZINC000340181243 173123026 /nfs/dbraw/zinc/12/30/26/173123026.db2.gz NTGRGKKFVPLZQY-ZIAGYGMSSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]CCO)C[C@H]1c1ccccc1 ZINC000340181241 173124478 /nfs/dbraw/zinc/12/44/78/173124478.db2.gz NTGRGKKFVPLZQY-KGLIPLIRSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCO)C[C@H]1c1ccccc1 ZINC000340181241 173124480 /nfs/dbraw/zinc/12/44/80/173124480.db2.gz NTGRGKKFVPLZQY-KGLIPLIRSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccn2)C1 ZINC000334153028 173136412 /nfs/dbraw/zinc/13/64/12/173136412.db2.gz NHJUILMIEKSZHM-DZGCQCFKSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccn2)C1 ZINC000334153028 173136415 /nfs/dbraw/zinc/13/64/15/173136415.db2.gz NHJUILMIEKSZHM-DZGCQCFKSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccn2)C1 ZINC000334153028 173136418 /nfs/dbraw/zinc/13/64/18/173136418.db2.gz NHJUILMIEKSZHM-DZGCQCFKSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC000336510791 173138907 /nfs/dbraw/zinc/13/89/07/173138907.db2.gz MMXNXYPOJLYYHC-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@@H]3CCCO3)C2)C1 ZINC000336510791 173138910 /nfs/dbraw/zinc/13/89/10/173138910.db2.gz MMXNXYPOJLYYHC-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@@H]3CCCO3)C2)C1 ZINC000336510791 173138913 /nfs/dbraw/zinc/13/89/13/173138913.db2.gz MMXNXYPOJLYYHC-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@H]2CCC[C@H]21 ZINC000353609184 173152021 /nfs/dbraw/zinc/15/20/21/173152021.db2.gz BGZSDXQZMFMCRJ-HZSPNIEDSA-N 2 1 248.374 1.415 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000368606787 173152239 /nfs/dbraw/zinc/15/22/39/173152239.db2.gz FVVPJHFFGTVOPR-ILXRZTDVSA-N 2 1 247.386 1.988 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@@H]2CCC[C@H]21 ZINC000353640281 173152599 /nfs/dbraw/zinc/15/25/99/173152599.db2.gz BYDQQCAFTLHADS-MELADBBJSA-N 2 1 237.391 1.155 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353504737 173155316 /nfs/dbraw/zinc/15/53/16/173155316.db2.gz SSZNOEDJKQQGDC-AGIUHOORSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353504737 173155317 /nfs/dbraw/zinc/15/53/17/173155317.db2.gz SSZNOEDJKQQGDC-AGIUHOORSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCC(C)(C)C)C1 ZINC000308971045 173165355 /nfs/dbraw/zinc/16/53/55/173165355.db2.gz ZMDBULIVRZIPLF-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]CCC(C)(C)C)C1 ZINC000308971045 173165358 /nfs/dbraw/zinc/16/53/58/173165358.db2.gz ZMDBULIVRZIPLF-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336659449 173347193 /nfs/dbraw/zinc/34/71/93/173347193.db2.gz BXLKWVINXOTVKC-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000053012411 173370677 /nfs/dbraw/zinc/37/06/77/173370677.db2.gz HVFLJWJXOSICMO-NSHDSACASA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000053012411 173370678 /nfs/dbraw/zinc/37/06/78/173370678.db2.gz HVFLJWJXOSICMO-NSHDSACASA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccccc2C)C1 ZINC000071147370 173370731 /nfs/dbraw/zinc/37/07/31/173370731.db2.gz HQDKMBJGBDELTD-AWEZNQCLSA-N 2 1 248.370 1.915 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000226632108 173371353 /nfs/dbraw/zinc/37/13/53/173371353.db2.gz SZAHDEIIOKEJJQ-RYUDHWBXSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000226632108 173371355 /nfs/dbraw/zinc/37/13/55/173371355.db2.gz SZAHDEIIOKEJJQ-RYUDHWBXSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070914070 173378656 /nfs/dbraw/zinc/37/86/56/173378656.db2.gz HMUJIPYSVHHPMP-SECBINFHSA-N 2 1 224.270 1.870 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070914070 173378657 /nfs/dbraw/zinc/37/86/57/173378657.db2.gz HMUJIPYSVHHPMP-SECBINFHSA-N 2 1 224.270 1.870 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336762512 174075371 /nfs/dbraw/zinc/07/53/71/174075371.db2.gz LKJTWSKSEZLPAL-VXGBXAGGSA-N 2 1 228.380 1.589 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336672930 174193724 /nfs/dbraw/zinc/19/37/24/174193724.db2.gz GRIZIJMPAYCSHL-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP COCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000368617116 174201712 /nfs/dbraw/zinc/20/17/12/174201712.db2.gz GGMZTLXBEOATBV-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP COCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123216265 174220638 /nfs/dbraw/zinc/22/06/38/174220638.db2.gz ICGBLZSNXFKQFZ-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123216265 174220640 /nfs/dbraw/zinc/22/06/40/174220640.db2.gz ICGBLZSNXFKQFZ-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123216265 174220641 /nfs/dbraw/zinc/22/06/41/174220641.db2.gz ICGBLZSNXFKQFZ-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123216265 174220643 /nfs/dbraw/zinc/22/06/43/174220643.db2.gz ICGBLZSNXFKQFZ-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645399 174229096 /nfs/dbraw/zinc/22/90/96/174229096.db2.gz PDWIDPNMDMEYEO-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP COCCC[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000361109567 174233555 /nfs/dbraw/zinc/23/35/55/174233555.db2.gz TZBJWMQAPYHAAA-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000361109567 174233556 /nfs/dbraw/zinc/23/35/56/174233556.db2.gz TZBJWMQAPYHAAA-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000361109567 174233559 /nfs/dbraw/zinc/23/35/59/174233559.db2.gz TZBJWMQAPYHAAA-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000361109567 174233560 /nfs/dbraw/zinc/23/35/60/174233560.db2.gz TZBJWMQAPYHAAA-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000361109567 174233563 /nfs/dbraw/zinc/23/35/63/174233563.db2.gz TZBJWMQAPYHAAA-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309890627 174248362 /nfs/dbraw/zinc/24/83/62/174248362.db2.gz CJHPPCIIWURDTR-UHFFFAOYSA-N 2 1 243.376 1.331 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1CC=CCC1 ZINC000119542693 174275655 /nfs/dbraw/zinc/27/56/55/174275655.db2.gz ZYTQZYGWDXEREQ-AWEZNQCLSA-N 2 1 240.391 1.901 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336778278 174275862 /nfs/dbraw/zinc/27/58/62/174275862.db2.gz KXPJTFWTUYGRGX-RWMBFGLXSA-N 2 1 228.380 1.589 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000340176228 174276158 /nfs/dbraw/zinc/27/61/58/174276158.db2.gz KVNWNVCEZYWBHM-LBPRGKRZSA-N 2 1 244.379 1.112 20 0 BDADMP COCC[N@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000061379689 174278677 /nfs/dbraw/zinc/27/86/77/174278677.db2.gz ABVRDLTXDDFEDW-UHFFFAOYSA-N 2 1 238.335 1.084 20 0 BDADMP COCC[N@@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000061379689 174278678 /nfs/dbraw/zinc/27/86/78/174278678.db2.gz ABVRDLTXDDFEDW-UHFFFAOYSA-N 2 1 238.335 1.084 20 0 BDADMP COCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375898308 174339350 /nfs/dbraw/zinc/33/93/50/174339350.db2.gz QZURJRCTXDBGDX-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375898310 174339481 /nfs/dbraw/zinc/33/94/81/174339481.db2.gz QZURJRCTXDBGDX-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358179076 174363584 /nfs/dbraw/zinc/36/35/84/174363584.db2.gz QXDDADCXFCIXKM-XQQFMLRXSA-N 2 1 244.379 1.110 20 0 BDADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358179076 174363586 /nfs/dbraw/zinc/36/35/86/174363586.db2.gz QXDDADCXFCIXKM-XQQFMLRXSA-N 2 1 244.379 1.110 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000401641491 487628836 /nfs/dbraw/zinc/62/88/36/487628836.db2.gz HYXIGUYALPHDHE-QJPTWQEYSA-N 2 1 212.337 1.143 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[NH3+])CC2 ZINC000133237611 175210681 /nfs/dbraw/zinc/21/06/81/175210681.db2.gz BMCMHASUKPNFAU-LBPRGKRZSA-N 2 1 220.316 1.101 20 0 BDADMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000011888380 175258963 /nfs/dbraw/zinc/25/89/63/175258963.db2.gz ZCGDLFYNBVNLPX-ZDUSSCGKSA-N 2 1 234.343 1.866 20 0 BDADMP COc1ccccc1C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000051890003 175324461 /nfs/dbraw/zinc/32/44/61/175324461.db2.gz YFBGJQIALDUTLE-LBPRGKRZSA-N 2 1 234.343 1.737 20 0 BDADMP COc1ccccc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000051890003 175324462 /nfs/dbraw/zinc/32/44/62/175324462.db2.gz YFBGJQIALDUTLE-LBPRGKRZSA-N 2 1 234.343 1.737 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000011891310 175327935 /nfs/dbraw/zinc/32/79/35/175327935.db2.gz WGNHHGPTAAQICU-LLVKDONJSA-N 2 1 220.316 1.476 20 0 BDADMP CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000082456062 487631175 /nfs/dbraw/zinc/63/11/75/487631175.db2.gz NEAOAYAVKZDXIJ-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309761056 176080917 /nfs/dbraw/zinc/08/09/17/176080917.db2.gz ISYGMNCGHQAWDR-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309761056 176080918 /nfs/dbraw/zinc/08/09/18/176080918.db2.gz ISYGMNCGHQAWDR-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1CO ZINC000305705907 176097783 /nfs/dbraw/zinc/09/77/83/176097783.db2.gz YEKXBHLNCLOALY-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1CO ZINC000305705907 176097785 /nfs/dbraw/zinc/09/77/85/176097785.db2.gz YEKXBHLNCLOALY-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1CO ZINC000305705907 176097787 /nfs/dbraw/zinc/09/77/87/176097787.db2.gz YEKXBHLNCLOALY-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000336713142 176100373 /nfs/dbraw/zinc/10/03/73/176100373.db2.gz OFJQUJHLDSAAEO-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000336713142 176100374 /nfs/dbraw/zinc/10/03/74/176100374.db2.gz OFJQUJHLDSAAEO-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000336713142 176100375 /nfs/dbraw/zinc/10/03/75/176100375.db2.gz OFJQUJHLDSAAEO-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000336713142 176100376 /nfs/dbraw/zinc/10/03/76/176100376.db2.gz OFJQUJHLDSAAEO-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358247549 176113825 /nfs/dbraw/zinc/11/38/25/176113825.db2.gz IAQWJOLNBKWICI-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358247549 176113826 /nfs/dbraw/zinc/11/38/26/176113826.db2.gz IAQWJOLNBKWICI-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000228998862 176137188 /nfs/dbraw/zinc/13/71/88/176137188.db2.gz DLNOHWQLVPKSQA-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000228998862 176137189 /nfs/dbraw/zinc/13/71/89/176137189.db2.gz DLNOHWQLVPKSQA-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000309372489 176172738 /nfs/dbraw/zinc/17/27/38/176172738.db2.gz FMQOMGKGWHNQLJ-NQBHXWOUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000309372489 176172740 /nfs/dbraw/zinc/17/27/40/176172740.db2.gz FMQOMGKGWHNQLJ-NQBHXWOUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000309372489 176172741 /nfs/dbraw/zinc/17/27/41/176172741.db2.gz FMQOMGKGWHNQLJ-NQBHXWOUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000309372489 176172743 /nfs/dbraw/zinc/17/27/43/176172743.db2.gz FMQOMGKGWHNQLJ-NQBHXWOUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)O1 ZINC000370722861 176223456 /nfs/dbraw/zinc/22/34/56/176223456.db2.gz UNWDUZXSTGOVJL-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccn1C ZINC000290645748 176268315 /nfs/dbraw/zinc/26/83/15/176268315.db2.gz YVTNWSSJLZHSDB-OCCSQVGLSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccn1C ZINC000290645748 176268316 /nfs/dbraw/zinc/26/83/16/176268316.db2.gz YVTNWSSJLZHSDB-OCCSQVGLSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccn1C ZINC000290645748 176268318 /nfs/dbraw/zinc/26/83/18/176268318.db2.gz YVTNWSSJLZHSDB-OCCSQVGLSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccn1C ZINC000290645748 176268319 /nfs/dbraw/zinc/26/83/19/176268319.db2.gz YVTNWSSJLZHSDB-OCCSQVGLSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358077749 176271361 /nfs/dbraw/zinc/27/13/61/176271361.db2.gz CAPDZILEYFGOKQ-IUODEOHRSA-N 2 1 248.370 1.865 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000358412124 176275112 /nfs/dbraw/zinc/27/51/12/176275112.db2.gz XZKSRGJISUASFM-SYQHCUMBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358412124 176275114 /nfs/dbraw/zinc/27/51/14/176275114.db2.gz XZKSRGJISUASFM-SYQHCUMBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358412124 176275116 /nfs/dbraw/zinc/27/51/16/176275116.db2.gz XZKSRGJISUASFM-SYQHCUMBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358412124 176275118 /nfs/dbraw/zinc/27/51/18/176275118.db2.gz XZKSRGJISUASFM-SYQHCUMBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358412124 176275120 /nfs/dbraw/zinc/27/51/20/176275120.db2.gz XZKSRGJISUASFM-SYQHCUMBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000361401055 176278709 /nfs/dbraw/zinc/27/87/09/176278709.db2.gz UYLGNUZIYYVCEN-YIYPIFLZSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1[NH3+] ZINC000300048589 176290106 /nfs/dbraw/zinc/29/01/06/176290106.db2.gz LLXFFZCTDNISAI-RKDXNWHRSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1[NH3+] ZINC000300048589 176290107 /nfs/dbraw/zinc/29/01/07/176290107.db2.gz LLXFFZCTDNISAI-RKDXNWHRSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000062912485 176301210 /nfs/dbraw/zinc/30/12/10/176301210.db2.gz FQHQKMIMLCIRPO-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353976512 176339464 /nfs/dbraw/zinc/33/94/64/176339464.db2.gz XWLVUHGNZZXQEU-XJFOESAGSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)CC[N@H+]1C ZINC000353976511 176339545 /nfs/dbraw/zinc/33/95/45/176339545.db2.gz XWLVUHGNZZXQEU-SYQHCUMBSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1CSCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251627798 176351933 /nfs/dbraw/zinc/35/19/33/176351933.db2.gz FHAXUIDBHUFNHA-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1cccnc1 ZINC000122338778 176367843 /nfs/dbraw/zinc/36/78/43/176367843.db2.gz WQGMZIPGEJQBKQ-YPMHNXCESA-N 2 1 219.332 1.293 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCOC2)CCN1C ZINC000336690427 176371366 /nfs/dbraw/zinc/37/13/66/176371366.db2.gz AXDHVFYRKFFGIJ-AGIUHOORSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCOC2)CC[N@@H+]1C ZINC000336690427 176371368 /nfs/dbraw/zinc/37/13/68/176371368.db2.gz AXDHVFYRKFFGIJ-AGIUHOORSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCOC2)CC[N@H+]1C ZINC000336690427 176371369 /nfs/dbraw/zinc/37/13/69/176371369.db2.gz AXDHVFYRKFFGIJ-AGIUHOORSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCOC2)CC[NH+]1C ZINC000336690427 176371371 /nfs/dbraw/zinc/37/13/71/176371371.db2.gz AXDHVFYRKFFGIJ-AGIUHOORSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCOC2)CC[NH+]1C ZINC000336690427 176371373 /nfs/dbraw/zinc/37/13/73/176371373.db2.gz AXDHVFYRKFFGIJ-AGIUHOORSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1C ZINC000177838735 176377978 /nfs/dbraw/zinc/37/79/78/176377978.db2.gz XBLBJAKMWWHMAG-DOMZBBRYSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@H](C)[NH3+] ZINC000277065761 176763812 /nfs/dbraw/zinc/76/38/12/176763812.db2.gz NZLJEESUFNLGKH-BDAKNGLRSA-N 2 1 236.319 1.069 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000037607209 177075052 /nfs/dbraw/zinc/07/50/52/177075052.db2.gz KRBIYCWSKXRIRN-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1CCOCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000374986856 177176970 /nfs/dbraw/zinc/17/69/70/177176970.db2.gz BVFNUOXJOVCHLF-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CCC[NH+]1CCCC1 ZINC000374986856 177176971 /nfs/dbraw/zinc/17/69/71/177176971.db2.gz BVFNUOXJOVCHLF-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000358084152 177233799 /nfs/dbraw/zinc/23/37/99/177233799.db2.gz LTEZZFDOOOEACO-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000220972637 177258150 /nfs/dbraw/zinc/25/81/50/177258150.db2.gz MZPWLMOHSKYRQO-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H]1CN(c2cc[nH+]cc2Cl)C[C@@H]1[NH3+] ZINC000235692792 177277269 /nfs/dbraw/zinc/27/72/69/177277269.db2.gz DEHSTNYVUFKKCW-CBAPKCEASA-N 2 1 211.696 1.518 20 0 BDADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000335592677 177284748 /nfs/dbraw/zinc/28/47/48/177284748.db2.gz RBSWJLHOKOMVLB-GXFFZTMASA-N 2 1 220.316 1.480 20 0 BDADMP C[C@H]1COCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000360603960 177288516 /nfs/dbraw/zinc/28/85/16/177288516.db2.gz HBNJSPHEDGWBGF-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP C[C@H]1COCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000360603960 177288517 /nfs/dbraw/zinc/28/85/17/177288517.db2.gz HBNJSPHEDGWBGF-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCSC[C@@H]2C)CC[NH2+]1 ZINC000235369166 177305244 /nfs/dbraw/zinc/30/52/44/177305244.db2.gz TWUNLLMMFUVFAB-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000216070198 177324419 /nfs/dbraw/zinc/32/44/19/177324419.db2.gz LBUWMSSAESGWPW-AAEUAGOBSA-N 2 1 246.354 1.791 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)O ZINC000083461209 177330395 /nfs/dbraw/zinc/33/03/95/177330395.db2.gz BJXZTTMCGWJRHH-OUAUKWLOSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2cnccn2)CC[N@H+]1C ZINC000341883023 177332593 /nfs/dbraw/zinc/33/25/93/177332593.db2.gz TZKJPRVMKUMOMR-RYUDHWBXSA-N 2 1 234.347 1.091 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309766147 177333816 /nfs/dbraw/zinc/33/38/16/177333816.db2.gz NTCQBSJPJQBIHT-AGIUHOORSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309766147 177333818 /nfs/dbraw/zinc/33/38/18/177333818.db2.gz NTCQBSJPJQBIHT-AGIUHOORSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1 ZINC000122361342 177361248 /nfs/dbraw/zinc/36/12/48/177361248.db2.gz FCSGAFAURXGZER-CMPLNLGQSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCO)CC[N@@H+]1Cc1ccccc1 ZINC000268711022 177369072 /nfs/dbraw/zinc/36/90/72/177369072.db2.gz DYWYLXLLTIVCKS-DZGCQCFKSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCO)CC[N@H+]1Cc1ccccc1 ZINC000268711022 177369073 /nfs/dbraw/zinc/36/90/73/177369073.db2.gz DYWYLXLLTIVCKS-DZGCQCFKSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000111155336 177369603 /nfs/dbraw/zinc/36/96/03/177369603.db2.gz YVAVALSXUFZZIM-DYEKYZERSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H](O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000082993026 177370516 /nfs/dbraw/zinc/37/05/16/177370516.db2.gz DUQNWNUTORGVJR-KXNHARMFSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000036908246 177370898 /nfs/dbraw/zinc/37/08/98/177370898.db2.gz JUDJIKLDQGSGHR-DYEKYZERSA-N 2 1 233.359 1.900 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000036908246 177370901 /nfs/dbraw/zinc/37/09/01/177370901.db2.gz JUDJIKLDQGSGHR-DYEKYZERSA-N 2 1 233.359 1.900 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2cn[nH]c2)CC[N@H+]1C ZINC000289740569 177371025 /nfs/dbraw/zinc/37/10/25/177371025.db2.gz KOXMEOLSQLDEGO-CMPLNLGQSA-N 2 1 222.336 1.025 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000369846499 177371534 /nfs/dbraw/zinc/37/15/34/177371534.db2.gz NJEDSKGMVDIPJK-YVECIDJPSA-N 2 1 249.358 1.744 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336781094 177371972 /nfs/dbraw/zinc/37/19/72/177371972.db2.gz TXZZPWSEVLZXQR-XQHKEYJVSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336781094 177371973 /nfs/dbraw/zinc/37/19/73/177371973.db2.gz TXZZPWSEVLZXQR-XQHKEYJVSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000336781094 177371977 /nfs/dbraw/zinc/37/19/77/177371977.db2.gz TXZZPWSEVLZXQR-XQHKEYJVSA-N 2 1 225.380 1.009 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000401641080 225203589 /nfs/dbraw/zinc/20/35/89/225203589.db2.gz HTURJYOATGBMDW-XQQFMLRXSA-N 2 1 249.358 1.366 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000401641081 225204216 /nfs/dbraw/zinc/20/42/16/225204216.db2.gz HTURJYOATGBMDW-YNEHKIRRSA-N 2 1 249.358 1.366 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494930521 226271677 /nfs/dbraw/zinc/27/16/77/226271677.db2.gz LWXDWMAZKRVMAZ-NHZBNJEXSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000494930521 226271678 /nfs/dbraw/zinc/27/16/78/226271678.db2.gz LWXDWMAZKRVMAZ-NHZBNJEXSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494930510 226271693 /nfs/dbraw/zinc/27/16/93/226271693.db2.gz LWXDWMAZKRVMAZ-BWPKMQGJSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000494930510 226271694 /nfs/dbraw/zinc/27/16/94/226271694.db2.gz LWXDWMAZKRVMAZ-BWPKMQGJSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494934023 226271733 /nfs/dbraw/zinc/27/17/33/226271733.db2.gz UPDWJQDWFZOCKJ-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000400325742 226340398 /nfs/dbraw/zinc/34/03/98/226340398.db2.gz DJSBVVVSPLCRML-MXWKQRLJSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400499585 226344949 /nfs/dbraw/zinc/34/49/49/226344949.db2.gz FMXNORZHYJKXMZ-IJLUTSLNSA-N 2 1 222.336 1.002 20 0 BDADMP C[C@@H]([NH2+]CCOCC1CC1)[C@H]1CCC[NH2+]1 ZINC000400502389 226345126 /nfs/dbraw/zinc/34/51/26/226345126.db2.gz IWIDMVNSZDVWHI-ZYHUDNBSSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400554435 226346254 /nfs/dbraw/zinc/34/62/54/226346254.db2.gz PHWRKRNXRNUGQX-RQJABVFESA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@]1(C)C[NH3+] ZINC000400603985 226347748 /nfs/dbraw/zinc/34/77/48/226347748.db2.gz GFFZFSKTXCZKSY-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335832503 487667679 /nfs/dbraw/zinc/66/76/79/487667679.db2.gz CRMNAGBCQDUXIO-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH+](C)C1CC[NH+](CCOC(C)(C)C)CC1 ZINC000194537379 229163682 /nfs/dbraw/zinc/16/36/82/229163682.db2.gz QQDKFXBKJGVNDO-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP Cc1[nH+]cn(Cc2nc(C(C)(C)[NH3+])no2)c1C ZINC000051927093 487672355 /nfs/dbraw/zinc/67/23/55/487672355.db2.gz PQEPUYZMVMAENP-UHFFFAOYSA-N 2 1 235.291 1.125 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)C12CCC2 ZINC000308365366 229230997 /nfs/dbraw/zinc/23/09/97/229230997.db2.gz KMRPDMOQKOKLGL-STQMWFEESA-N 2 1 249.358 1.739 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOCC1CC1 ZINC000227259426 487685430 /nfs/dbraw/zinc/68/54/30/487685430.db2.gz XVZJPGUJZPNMRF-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOCC1CC1 ZINC000227259439 487685453 /nfs/dbraw/zinc/68/54/53/487685453.db2.gz XVZJPGUJZPNMRF-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328458480 487689059 /nfs/dbraw/zinc/68/90/59/487689059.db2.gz GGEZITMHNUVNJQ-RFQIPJPRSA-N 2 1 238.375 1.364 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328458480 487689067 /nfs/dbraw/zinc/68/90/67/487689067.db2.gz GGEZITMHNUVNJQ-RFQIPJPRSA-N 2 1 238.375 1.364 20 0 BDADMP O[C@H]1CCCC[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328458472 487689657 /nfs/dbraw/zinc/68/96/57/487689657.db2.gz GGEZITMHNUVNJQ-CRWXNKLISA-N 2 1 238.375 1.364 20 0 BDADMP O[C@H]1CCCC[C@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328458472 487689662 /nfs/dbraw/zinc/68/96/62/487689662.db2.gz GGEZITMHNUVNJQ-CRWXNKLISA-N 2 1 238.375 1.364 20 0 BDADMP CCO[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000042425548 487692380 /nfs/dbraw/zinc/69/23/80/487692380.db2.gz OBRHDRDNZWZBNG-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000042425548 487692384 /nfs/dbraw/zinc/69/23/84/487692384.db2.gz OBRHDRDNZWZBNG-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000083701109 487700289 /nfs/dbraw/zinc/70/02/89/487700289.db2.gz QALHXJGVPDMIGJ-JHJVBQTASA-N 2 1 208.349 1.860 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309256096 487707874 /nfs/dbraw/zinc/70/78/74/487707874.db2.gz OGMNRBBAFKUGAK-CHWSQXEVSA-N 2 1 230.396 1.808 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309256096 487707884 /nfs/dbraw/zinc/70/78/84/487707884.db2.gz OGMNRBBAFKUGAK-CHWSQXEVSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOCC(C)C)CC[C@@H]1[NH3+] ZINC000233911106 487751489 /nfs/dbraw/zinc/75/14/89/487751489.db2.gz ROPXGORIUXYBQE-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000675768003 487774524 /nfs/dbraw/zinc/77/45/24/487774524.db2.gz VHHBXONLGQJIOW-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000675768003 487774531 /nfs/dbraw/zinc/77/45/31/487774531.db2.gz VHHBXONLGQJIOW-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000675768003 487774533 /nfs/dbraw/zinc/77/45/33/487774533.db2.gz VHHBXONLGQJIOW-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000675768003 487774539 /nfs/dbraw/zinc/77/45/39/487774539.db2.gz VHHBXONLGQJIOW-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000675768003 487774541 /nfs/dbraw/zinc/77/45/41/487774541.db2.gz VHHBXONLGQJIOW-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000675767993 487775758 /nfs/dbraw/zinc/77/57/58/487775758.db2.gz VHHBXONLGQJIOW-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000675767993 487775767 /nfs/dbraw/zinc/77/57/67/487775767.db2.gz VHHBXONLGQJIOW-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000675767993 487775774 /nfs/dbraw/zinc/77/57/74/487775774.db2.gz VHHBXONLGQJIOW-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000675767993 487775777 /nfs/dbraw/zinc/77/57/77/487775777.db2.gz VHHBXONLGQJIOW-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000675767993 487775782 /nfs/dbraw/zinc/77/57/82/487775782.db2.gz VHHBXONLGQJIOW-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCF)CC[C@@H]21 ZINC000766988926 585512357 /nfs/dbraw/zinc/51/23/57/585512357.db2.gz FRXNWNZSUIEPMG-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCF)CC[C@@H]21 ZINC000766988926 585512358 /nfs/dbraw/zinc/51/23/58/585512358.db2.gz FRXNWNZSUIEPMG-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCF)CC[C@@H]21 ZINC000766988926 585512359 /nfs/dbraw/zinc/51/23/59/585512359.db2.gz FRXNWNZSUIEPMG-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCF)CC[C@@H]21 ZINC000766988926 585512360 /nfs/dbraw/zinc/51/23/60/585512360.db2.gz FRXNWNZSUIEPMG-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675901424 487785007 /nfs/dbraw/zinc/78/50/07/487785007.db2.gz GCYYUARVGOZCBH-ZOBORPQBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675901424 487785016 /nfs/dbraw/zinc/78/50/16/487785016.db2.gz GCYYUARVGOZCBH-ZOBORPQBSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOC2)C1 ZINC000459742401 487792865 /nfs/dbraw/zinc/79/28/65/487792865.db2.gz WDJVTHZIOPJMHZ-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000251799436 487798466 /nfs/dbraw/zinc/79/84/66/487798466.db2.gz NZOPAGFMRSGAQK-QWHCGFSZSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000251799436 487798476 /nfs/dbraw/zinc/79/84/76/487798476.db2.gz NZOPAGFMRSGAQK-QWHCGFSZSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000251867807 487803635 /nfs/dbraw/zinc/80/36/35/487803635.db2.gz UDUZUBLTTLYUAW-DGCLKSJQSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000251867807 487803639 /nfs/dbraw/zinc/80/36/39/487803639.db2.gz UDUZUBLTTLYUAW-DGCLKSJQSA-N 2 1 219.332 1.641 20 0 BDADMP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC[NH3+] ZINC000414765700 487823972 /nfs/dbraw/zinc/82/39/72/487823972.db2.gz QEFKUFXDJWTPGN-JGVFFNPUSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CN1CCCCCCC[NH3+] ZINC000866681985 589511523 /nfs/dbraw/zinc/51/15/23/589511523.db2.gz DPCFOBIZOTYPAW-NEPJUHHUSA-N 2 1 213.369 1.317 20 0 BDADMP C[NH+](C)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000676405456 487847503 /nfs/dbraw/zinc/84/75/03/487847503.db2.gz WORNXIDHXOGAEY-LBPRGKRZSA-N 2 1 212.337 1.191 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769850 487875403 /nfs/dbraw/zinc/87/54/03/487875403.db2.gz FZNVVLUHNQAEPH-OCCSQVGLSA-N 2 1 240.391 1.923 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000666770219 487877058 /nfs/dbraw/zinc/87/70/58/487877058.db2.gz PKDDYKOAJYXNEK-RDBSUJKOSA-N 2 1 240.391 1.922 20 0 BDADMP CO[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000234860733 487886168 /nfs/dbraw/zinc/88/61/68/487886168.db2.gz KAZHPWSFQQNYKK-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000386827696 487896752 /nfs/dbraw/zinc/89/67/52/487896752.db2.gz VGXYXZXAODSCKA-AAEUAGOBSA-N 2 1 236.363 1.312 20 0 BDADMP CN1CC(C[N@@H+](C)Cc2ccccc2)C1 ZINC000668538268 487903096 /nfs/dbraw/zinc/90/30/96/487903096.db2.gz YKHTYHVMZSFJIH-UHFFFAOYSA-N 2 1 204.317 1.680 20 0 BDADMP Cc1cccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000666943492 487910184 /nfs/dbraw/zinc/91/01/84/487910184.db2.gz ORTHGYLDWRUZMN-STQMWFEESA-N 2 1 222.307 1.785 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCCCO ZINC000679332985 487913746 /nfs/dbraw/zinc/91/37/46/487913746.db2.gz AICPACNCJUJFOF-LBPRGKRZSA-N 2 1 239.363 1.722 20 0 BDADMP CC(C)C[C@H](N)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955346 487917095 /nfs/dbraw/zinc/91/70/95/487917095.db2.gz ATPBXLZAWSASMQ-RYUDHWBXSA-N 2 1 225.380 1.092 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000157895886 487928607 /nfs/dbraw/zinc/92/86/07/487928607.db2.gz UDUZUBLTTLYUAW-AAEUAGOBSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000157895886 487928611 /nfs/dbraw/zinc/92/86/11/487928611.db2.gz UDUZUBLTTLYUAW-AAEUAGOBSA-N 2 1 219.332 1.641 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(CO)cc1 ZINC000227474849 487930985 /nfs/dbraw/zinc/93/09/85/487930985.db2.gz OUJMOXYPNNKDHU-UHFFFAOYSA-N 2 1 245.326 1.474 20 0 BDADMP CC(C)[NH2+]C1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000569609220 322972706 /nfs/dbraw/zinc/97/27/06/322972706.db2.gz VJTRVCWQKSTOMA-CYBMUJFWSA-N 2 1 239.407 1.448 20 0 BDADMP Cn1cncc1CCC[N@H+]1CCC[C@]1(C)CO ZINC000569822231 323041894 /nfs/dbraw/zinc/04/18/94/323041894.db2.gz KKDVEADGYJRVIU-CYBMUJFWSA-N 2 1 237.347 1.200 20 0 BDADMP COC[C@H](C)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000153368871 323050996 /nfs/dbraw/zinc/05/09/96/323050996.db2.gz SJXPAVRMRLKWCF-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP COC[C@H](C)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000153368871 323050997 /nfs/dbraw/zinc/05/09/97/323050997.db2.gz SJXPAVRMRLKWCF-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@H+]1C ZINC000563154163 323095841 /nfs/dbraw/zinc/09/58/41/323095841.db2.gz PVMGZFORPFZWFD-WFASDCNBSA-N 3 1 247.386 1.718 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCN1C ZINC000563154163 323095842 /nfs/dbraw/zinc/09/58/42/323095842.db2.gz PVMGZFORPFZWFD-WFASDCNBSA-N 2 1 247.386 1.718 20 0 BDADMP C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000563154163 323095843 /nfs/dbraw/zinc/09/58/43/323095843.db2.gz PVMGZFORPFZWFD-WFASDCNBSA-N 2 1 247.386 1.718 20 0 BDADMP C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[N@H+]1C ZINC000563154163 323095844 /nfs/dbraw/zinc/09/58/44/323095844.db2.gz PVMGZFORPFZWFD-WFASDCNBSA-N 2 1 247.386 1.718 20 0 BDADMP Cc1noc(CCC[NH2+][C@@](C)(C[NH3+])C(C)C)n1 ZINC000563155341 323096049 /nfs/dbraw/zinc/09/60/49/323096049.db2.gz TXPICEZTNDPRIE-LBPRGKRZSA-N 2 1 240.351 1.274 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000563268856 323107266 /nfs/dbraw/zinc/10/72/66/323107266.db2.gz NCTSPJLLKYKPTC-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([N@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC000563550490 323130008 /nfs/dbraw/zinc/13/00/08/323130008.db2.gz ZZLVZLJMRMCSGH-RDBSUJKOSA-N 2 1 238.375 1.759 20 0 BDADMP Cc1nc(CNC[C@H]2CCC[N@@H+]2C)[nH]c1C ZINC000571345660 323142204 /nfs/dbraw/zinc/14/22/04/323142204.db2.gz QXLGUPNXOGNEHK-LLVKDONJSA-N 2 1 222.336 1.210 20 0 BDADMP Cc1nc(C[NH2+]C[C@H]2CCCN2C)[nH]c1C ZINC000571345660 323142205 /nfs/dbraw/zinc/14/22/05/323142205.db2.gz QXLGUPNXOGNEHK-LLVKDONJSA-N 2 1 222.336 1.210 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1ccn(C)n1)CC[NH2+]CC2 ZINC000563803756 323178361 /nfs/dbraw/zinc/17/83/61/323178361.db2.gz ALYHEFRUOBGLIF-GFCCVEGCSA-N 2 1 248.374 1.384 20 0 BDADMP CCC1CC([NH2+]CCc2c[nH+]cn2C)C1 ZINC000308937973 323182170 /nfs/dbraw/zinc/18/21/70/323182170.db2.gz LKAGJUVNMPKUPD-UHFFFAOYSA-N 2 1 207.321 1.741 20 0 BDADMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000535760079 323190752 /nfs/dbraw/zinc/19/07/52/323190752.db2.gz RTQNZJFIGVFAHF-UHFFFAOYSA-N 2 1 234.343 1.881 20 0 BDADMP CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000309025125 323194362 /nfs/dbraw/zinc/19/43/62/323194362.db2.gz XMBYGWPOENSTMT-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243741 323203614 /nfs/dbraw/zinc/20/36/14/323203614.db2.gz UDTXPWJCQGCZNA-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530221238 323218606 /nfs/dbraw/zinc/21/86/06/323218606.db2.gz PBJJWWVMUUZXHS-CHWSQXEVSA-N 2 1 240.391 1.922 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000528005452 323745934 /nfs/dbraw/zinc/74/59/34/323745934.db2.gz SYWTXKATXSYESK-NMKXLXIOSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000122861803 324056810 /nfs/dbraw/zinc/05/68/10/324056810.db2.gz AMODOLHEMRSXOD-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)[C@H](C)O1 ZINC000530218504 324535783 /nfs/dbraw/zinc/53/57/83/324535783.db2.gz WNQFAYDPVZPRDP-RHYQMDGZSA-N 2 1 224.348 1.427 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000653558253 487964607 /nfs/dbraw/zinc/96/46/07/487964607.db2.gz YREHWHGXANOZKT-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CCC1 ZINC000653558253 487964611 /nfs/dbraw/zinc/96/46/11/487964611.db2.gz YREHWHGXANOZKT-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C1CCC1 ZINC000653558253 487964615 /nfs/dbraw/zinc/96/46/15/487964615.db2.gz YREHWHGXANOZKT-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C1CCC1 ZINC000653558253 487964618 /nfs/dbraw/zinc/96/46/18/487964618.db2.gz YREHWHGXANOZKT-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000130739320 325083215 /nfs/dbraw/zinc/08/32/15/325083215.db2.gz CFTNRZBZVWYNCJ-UPJWGTAASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000130739320 325083218 /nfs/dbraw/zinc/08/32/18/325083218.db2.gz CFTNRZBZVWYNCJ-UPJWGTAASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000130739320 325083219 /nfs/dbraw/zinc/08/32/19/325083219.db2.gz CFTNRZBZVWYNCJ-UPJWGTAASA-N 2 1 239.407 1.541 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000131716908 325179434 /nfs/dbraw/zinc/17/94/34/325179434.db2.gz SJMMXOGDWAMKGI-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1cccc(CN[C@@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000133953371 325333380 /nfs/dbraw/zinc/33/33/80/325333380.db2.gz IYWDZQYISRYFAV-JSGCOSHPSA-N 2 1 249.358 1.247 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000566088417 325992125 /nfs/dbraw/zinc/99/21/25/325992125.db2.gz NALTZXQVVBVBNA-NWDGAFQWSA-N 3 1 213.369 1.092 20 0 BDADMP C[NH2+][C@@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000566418644 326043303 /nfs/dbraw/zinc/04/33/03/326043303.db2.gz JPJXIMQDMKUHBF-ZETCQYMHSA-N 2 1 210.281 1.078 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCCOC1 ZINC000566426989 326045165 /nfs/dbraw/zinc/04/51/65/326045165.db2.gz ZMVQIBPLDCBMMI-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCCOC1 ZINC000566426989 326045166 /nfs/dbraw/zinc/04/51/66/326045166.db2.gz ZMVQIBPLDCBMMI-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP CC[N@@H+](CCCO)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566625314 326069587 /nfs/dbraw/zinc/06/95/87/326069587.db2.gz MHOAXOZFPKUESL-UHFFFAOYSA-N 2 1 248.370 1.537 20 0 BDADMP Cc1nccn1CC[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000566854199 326088226 /nfs/dbraw/zinc/08/82/26/326088226.db2.gz XPKPVAMMSAVFDF-CQSZACIVSA-N 2 1 249.358 1.692 20 0 BDADMP CC(C)(C)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567517356 326208889 /nfs/dbraw/zinc/20/88/89/326208889.db2.gz ZPFVXYUKIJAHFP-UHFFFAOYSA-N 2 1 236.363 1.968 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000573075976 326428420 /nfs/dbraw/zinc/42/84/20/326428420.db2.gz SYJMLXRLEKPOTF-OCCSQVGLSA-N 3 1 239.407 1.483 20 0 BDADMP COc1ccc(F)cc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000135285731 488024143 /nfs/dbraw/zinc/02/41/43/488024143.db2.gz VLCCAQKTANZLKV-SECBINFHSA-N 2 1 226.295 1.834 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084385371 488049975 /nfs/dbraw/zinc/04/99/75/488049975.db2.gz RWQOCXZRDPEDMP-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000663509806 488055122 /nfs/dbraw/zinc/05/51/22/488055122.db2.gz MEZOEOMNODBWOW-ZDUSSCGKSA-N 2 1 247.386 1.853 20 0 BDADMP Cc1[nH+]cc(CN2CCOC3(CCCC3)C2)n1C ZINC000667661443 488078628 /nfs/dbraw/zinc/07/86/28/488078628.db2.gz HIBGDHAAYSHNHZ-UHFFFAOYSA-N 2 1 249.358 1.874 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257713839 488083656 /nfs/dbraw/zinc/08/36/56/488083656.db2.gz UGLZEEJPOKOZLL-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257713839 488083663 /nfs/dbraw/zinc/08/36/63/488083663.db2.gz UGLZEEJPOKOZLL-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000236825151 488090856 /nfs/dbraw/zinc/09/08/56/488090856.db2.gz ZRYQDRWTTWYLFR-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC([NH3+])C1 ZINC000403086368 488113485 /nfs/dbraw/zinc/11/34/85/488113485.db2.gz QEWOIMZTXJGTJF-VFPQWFPESA-N 2 1 208.349 1.844 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1COC ZINC000683140587 488118358 /nfs/dbraw/zinc/11/83/58/488118358.db2.gz AXXIXZVGUSXWFH-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667783728 488120050 /nfs/dbraw/zinc/12/00/50/488120050.db2.gz YFSNOUJMZSWSOG-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCO1 ZINC000403325589 488121410 /nfs/dbraw/zinc/12/14/10/488121410.db2.gz BSBPAAJTVJKNOL-YIYPIFLZSA-N 2 1 238.375 1.472 20 0 BDADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086728873 487539258 /nfs/dbraw/zinc/53/92/58/487539258.db2.gz NYKVOABNAGFOTB-CYBMUJFWSA-N 2 1 218.344 1.916 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cn[nH]c1)[NH+]1CCCCC1 ZINC000680147931 487540850 /nfs/dbraw/zinc/54/08/50/487540850.db2.gz QAFWFPYWQJSCMN-LBPRGKRZSA-N 2 1 236.363 1.764 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCc1ccccc1 ZINC000309747381 487541153 /nfs/dbraw/zinc/54/11/53/487541153.db2.gz UWJHTLMVDPEMDA-ZFWWWQNUSA-N 2 1 248.370 1.872 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292307 487541473 /nfs/dbraw/zinc/54/14/73/487541473.db2.gz DHMQIFVNMNGZED-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000168873223 487549261 /nfs/dbraw/zinc/54/92/61/487549261.db2.gz HGCAKZNSQLMQQA-PWSUYJOCSA-N 2 1 236.363 1.152 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000168873223 487549265 /nfs/dbraw/zinc/54/92/65/487549265.db2.gz HGCAKZNSQLMQQA-PWSUYJOCSA-N 2 1 236.363 1.152 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCOC2)C1 ZINC000674302104 487555000 /nfs/dbraw/zinc/55/50/00/487555000.db2.gz JOQWJZCHVNKRAJ-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302104 487555003 /nfs/dbraw/zinc/55/50/03/487555003.db2.gz JOQWJZCHVNKRAJ-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302104 487555005 /nfs/dbraw/zinc/55/50/05/487555005.db2.gz JOQWJZCHVNKRAJ-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCOC2)C1 ZINC000674302105 487555104 /nfs/dbraw/zinc/55/51/04/487555104.db2.gz JOQWJZCHVNKRAJ-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302105 487555108 /nfs/dbraw/zinc/55/51/08/487555108.db2.gz JOQWJZCHVNKRAJ-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302105 487555113 /nfs/dbraw/zinc/55/51/13/487555113.db2.gz JOQWJZCHVNKRAJ-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000324113615 487532898 /nfs/dbraw/zinc/53/28/98/487532898.db2.gz FKKJBLVAJXVDDE-OLZOCXBDSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000324113615 487532899 /nfs/dbraw/zinc/53/28/99/487532899.db2.gz FKKJBLVAJXVDDE-OLZOCXBDSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000324113614 487532906 /nfs/dbraw/zinc/53/29/06/487532906.db2.gz FKKJBLVAJXVDDE-CHWSQXEVSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000324113614 487532909 /nfs/dbraw/zinc/53/29/09/487532909.db2.gz FKKJBLVAJXVDDE-CHWSQXEVSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)O1 ZINC000227067906 487494045 /nfs/dbraw/zinc/49/40/45/487494045.db2.gz HJFQXFQBAMJLED-IRCOFANPSA-N 2 1 212.337 1.223 20 0 BDADMP CC(C)(CC[N@H+]1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000406005490 487495743 /nfs/dbraw/zinc/49/57/43/487495743.db2.gz RRZJJQSCVVQGKY-CYBMUJFWSA-N 2 1 240.391 1.862 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268850913 487502539 /nfs/dbraw/zinc/50/25/39/487502539.db2.gz YAVQHVJWVFWFMJ-NXEZZACHSA-N 2 1 211.309 1.205 20 0 BDADMP c1n[nH]cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000674044908 487504139 /nfs/dbraw/zinc/50/41/39/487504139.db2.gz KUDZJSYENVIEMN-UHFFFAOYSA-N 2 1 248.374 1.906 20 0 BDADMP FC1(F)C[C@H]1OCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266943 487505202 /nfs/dbraw/zinc/50/52/02/487505202.db2.gz QYPDPWQJLGPRME-GHMZBOCLSA-N 2 1 246.301 1.096 20 0 BDADMP FC1(F)C[C@H]1OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266943 487505206 /nfs/dbraw/zinc/50/52/06/487505206.db2.gz QYPDPWQJLGPRME-GHMZBOCLSA-N 2 1 246.301 1.096 20 0 BDADMP C[N@@H+](CCc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000086440975 487509785 /nfs/dbraw/zinc/50/97/85/487509785.db2.gz VMBOFVQWSWNLMF-NSHDSACASA-N 2 1 224.373 1.832 20 0 BDADMP CCOc1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000227742079 487510036 /nfs/dbraw/zinc/51/00/36/487510036.db2.gz JAZDHENVDXWPAK-UHFFFAOYSA-N 2 1 222.332 1.866 20 0 BDADMP Cc1ncccc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000304553750 487510363 /nfs/dbraw/zinc/51/03/63/487510363.db2.gz KKEBQSBGVYJKLX-CYBMUJFWSA-N 2 1 221.348 1.853 20 0 BDADMP CC[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662273649 487521669 /nfs/dbraw/zinc/52/16/69/487521669.db2.gz XHSDJOFSGRZNER-OUAUKWLOSA-N 2 1 248.317 1.470 20 0 BDADMP CC[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662273649 487521671 /nfs/dbraw/zinc/52/16/71/487521671.db2.gz XHSDJOFSGRZNER-OUAUKWLOSA-N 2 1 248.317 1.470 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274259 487523191 /nfs/dbraw/zinc/52/31/91/487523191.db2.gz SJONQBIKAPVXBY-QWHCGFSZSA-N 2 1 249.358 1.805 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C ZINC000379889103 488154695 /nfs/dbraw/zinc/15/46/95/488154695.db2.gz ADRDSKJYWXIRQL-KBPBESRZSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)C[C@H]1CCOC1 ZINC000677981042 488167512 /nfs/dbraw/zinc/16/75/12/488167512.db2.gz RXIJHEMUMJICRP-CYBMUJFWSA-N 2 1 237.347 1.550 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)C[C@H]1CCOC1 ZINC000677981042 488167515 /nfs/dbraw/zinc/16/75/15/488167515.db2.gz RXIJHEMUMJICRP-CYBMUJFWSA-N 2 1 237.347 1.550 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1cncn1C ZINC000314401034 487665361 /nfs/dbraw/zinc/66/53/61/487665361.db2.gz TWNBSKUCMBUXCO-NWDGAFQWSA-N 2 1 236.363 1.022 20 0 BDADMP C[N@@H+](CCc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000259010687 488146802 /nfs/dbraw/zinc/14/68/02/488146802.db2.gz XPNVZRAOMWEXKQ-ZDUSSCGKSA-N 2 1 236.334 1.910 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCn2nccc21 ZINC000657859290 488152891 /nfs/dbraw/zinc/15/28/91/488152891.db2.gz RYOCUQNBYTZTMP-NEPJUHHUSA-N 2 1 236.363 1.648 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C ZINC000379889103 488154690 /nfs/dbraw/zinc/15/46/90/488154690.db2.gz ADRDSKJYWXIRQL-KBPBESRZSA-N 2 1 242.407 1.952 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](CCC(C)C)C1CC1 ZINC000380106666 488173902 /nfs/dbraw/zinc/17/39/02/488173902.db2.gz YRCTXYWNIAPZLZ-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCC(C)C)C1CC1 ZINC000380106666 488173906 /nfs/dbraw/zinc/17/39/06/488173906.db2.gz YRCTXYWNIAPZLZ-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCC(C)C)C1CC1 ZINC000380106666 488173909 /nfs/dbraw/zinc/17/39/09/488173909.db2.gz YRCTXYWNIAPZLZ-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCC(C)C)C1CC1 ZINC000380106666 488173915 /nfs/dbraw/zinc/17/39/15/488173915.db2.gz YRCTXYWNIAPZLZ-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167602799 488180769 /nfs/dbraw/zinc/18/07/69/488180769.db2.gz XCXTZMWZWJIXEH-WOPDTQHZSA-N 2 1 214.353 1.186 20 0 BDADMP Cc1nccn1CCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678073008 488191114 /nfs/dbraw/zinc/19/11/14/488191114.db2.gz HSNQEFWAMVTGLZ-OKILXGFUSA-N 2 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678073008 488191118 /nfs/dbraw/zinc/19/11/18/488191118.db2.gz HSNQEFWAMVTGLZ-OKILXGFUSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678073008 488191122 /nfs/dbraw/zinc/19/11/22/488191122.db2.gz HSNQEFWAMVTGLZ-OKILXGFUSA-N 3 1 248.374 1.123 20 0 BDADMP C[N@H+]1CCCN(CCC[NH2+]CC2(C)CC2)CC1 ZINC000683769723 488218008 /nfs/dbraw/zinc/21/80/08/488218008.db2.gz ZBSPJBMYOCOBHW-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678342997 488243477 /nfs/dbraw/zinc/24/34/77/488243477.db2.gz KBNCVOKDRLPLPQ-QWRGUYRKSA-N 2 1 248.374 1.358 20 0 BDADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@H]1CCC[NH2+]C1 ZINC000666814071 490097105 /nfs/dbraw/zinc/09/71/05/490097105.db2.gz APDICWFJLYVNBJ-STQMWFEESA-N 2 1 246.354 1.894 20 0 BDADMP CC[N@H+](CCN)CCCOc1ccccc1 ZINC000061815645 490194265 /nfs/dbraw/zinc/19/42/65/490194265.db2.gz FPOUTFRDJWQWQJ-UHFFFAOYSA-N 2 1 222.332 1.736 20 0 BDADMP C([NH2+][C@@H]1CCCOC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000070013474 490197597 /nfs/dbraw/zinc/19/75/97/490197597.db2.gz FUMLCSKGSILTDK-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)[C@@H]1CCCO1 ZINC000631890731 490289165 /nfs/dbraw/zinc/28/91/65/490289165.db2.gz SLVPTSZWCUCCPL-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)[C@@H]1CCCO1 ZINC000631890731 490289173 /nfs/dbraw/zinc/28/91/73/490289173.db2.gz SLVPTSZWCUCCPL-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP CCc1nn(C)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000124018477 491121404 /nfs/dbraw/zinc/12/14/04/491121404.db2.gz WEZVNUYCRMVXOC-UHFFFAOYSA-N 2 1 247.346 1.277 20 0 BDADMP COCC(C)(C)C[N@@H+](C)CC1CN(C)C1 ZINC000668538686 491127220 /nfs/dbraw/zinc/12/72/20/491127220.db2.gz ABVVGYXFWPTOSM-UHFFFAOYSA-N 2 1 214.353 1.152 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC(C)(C)COC ZINC000309654169 491153796 /nfs/dbraw/zinc/15/37/96/491153796.db2.gz PBZHKLZDRKZTGT-GFCCVEGCSA-N 2 1 230.396 1.979 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084420597 536138399 /nfs/dbraw/zinc/13/83/99/536138399.db2.gz JHKDCWHDJLVDOL-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000084420597 536138403 /nfs/dbraw/zinc/13/84/03/536138403.db2.gz JHKDCWHDJLVDOL-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP C[N@H+](Cc1cccc2ccccc21)C[C@H](O)C[NH3+] ZINC000259115952 536477589 /nfs/dbraw/zinc/47/75/89/536477589.db2.gz SUONAFSMSXPWAI-CQSZACIVSA-N 2 1 244.338 1.591 20 0 BDADMP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400371790 527977271 /nfs/dbraw/zinc/97/72/71/527977271.db2.gz HBNWEHHZYOCGNJ-MNOVXSKESA-N 2 1 200.326 1.142 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400322310 527979529 /nfs/dbraw/zinc/97/95/29/527979529.db2.gz BKTKHZZLAOWFQZ-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP CCOC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000400469011 528993434 /nfs/dbraw/zinc/99/34/34/528993434.db2.gz UNLZRUSTSZBQCE-AVGNSLFASA-N 2 1 228.380 1.778 20 0 BDADMP CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261552150 535186628 /nfs/dbraw/zinc/18/66/28/535186628.db2.gz QZIOQVCBIGPNBK-QJPTWQEYSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000348358691 535804156 /nfs/dbraw/zinc/80/41/56/535804156.db2.gz PMQNYFSOHSQIGJ-CHWSQXEVSA-N 2 1 237.347 1.739 20 0 BDADMP CCn1nccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000164137001 535867002 /nfs/dbraw/zinc/86/70/02/535867002.db2.gz PRFMPDSZIWVDSR-NSHDSACASA-N 2 1 222.336 1.074 20 0 BDADMP CCn1nccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000164137001 535867007 /nfs/dbraw/zinc/86/70/07/535867007.db2.gz PRFMPDSZIWVDSR-NSHDSACASA-N 2 1 222.336 1.074 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000261897892 535898569 /nfs/dbraw/zinc/89/85/69/535898569.db2.gz WDMBXGIHBGSXFA-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000051631494 535954821 /nfs/dbraw/zinc/95/48/21/535954821.db2.gz VBDZHRRHZWKXML-LSDHHAIUSA-N 2 1 248.370 1.056 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000086886783 536056980 /nfs/dbraw/zinc/05/69/80/536056980.db2.gz QYKHWGGVZQNPKY-ZYHUDNBSSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000086886783 536056985 /nfs/dbraw/zinc/05/69/85/536056985.db2.gz QYKHWGGVZQNPKY-ZYHUDNBSSA-N 2 1 222.336 1.072 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892607164 582928431 /nfs/dbraw/zinc/92/84/31/582928431.db2.gz HVLLPXYJUDBOGG-DRZSPHRISA-N 2 1 240.347 1.154 20 0 BDADMP C[NH+]1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000306276036 536343415 /nfs/dbraw/zinc/34/34/15/536343415.db2.gz DNBZJFOYRJKZIV-UHFFFAOYSA-N 2 1 204.264 1.468 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000252772225 536685200 /nfs/dbraw/zinc/68/52/00/536685200.db2.gz ISVOZFUZQSFADW-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000261535412 536686261 /nfs/dbraw/zinc/68/62/61/536686261.db2.gz YJFYXVHBHSJJRY-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326410 536768455 /nfs/dbraw/zinc/76/84/55/536768455.db2.gz SBMBDAOSCFIDFJ-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000226419779 536872039 /nfs/dbraw/zinc/87/20/39/536872039.db2.gz VPKYTYWPRNLABG-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP COCCCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000226419785 536872706 /nfs/dbraw/zinc/87/27/06/536872706.db2.gz VPKYTYWPRNLABG-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP COc1cccc2c1CC[N@H+](CC(C)(C)[NH3+])CC2 ZINC000261920589 536942495 /nfs/dbraw/zinc/94/24/95/536942495.db2.gz KLUYTHZBKRPMLM-UHFFFAOYSA-N 2 1 248.370 1.833 20 0 BDADMP COc1cccc2c1CC[N@@H+](CC(C)(C)[NH3+])CC2 ZINC000261920589 536942497 /nfs/dbraw/zinc/94/24/97/536942497.db2.gz KLUYTHZBKRPMLM-UHFFFAOYSA-N 2 1 248.370 1.833 20 0 BDADMP C(C1CCC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335623931 566405751 /nfs/dbraw/zinc/40/57/51/566405751.db2.gz RFGZALGNWAYQMV-CYBMUJFWSA-N 2 1 208.349 1.862 20 0 BDADMP NC[C@H]1CCC[N@@H+]1CCC1SCCS1 ZINC000853022951 588716799 /nfs/dbraw/zinc/71/67/99/588716799.db2.gz IWTKRJPCXGUEDH-SECBINFHSA-N 2 1 232.418 1.606 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC1SCCS1 ZINC000853022951 588716801 /nfs/dbraw/zinc/71/68/01/588716801.db2.gz IWTKRJPCXGUEDH-SECBINFHSA-N 2 1 232.418 1.606 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CCC1SCCS1 ZINC000853022951 588716802 /nfs/dbraw/zinc/71/68/02/588716802.db2.gz IWTKRJPCXGUEDH-SECBINFHSA-N 2 1 232.418 1.606 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348100667 582525028 /nfs/dbraw/zinc/52/50/28/582525028.db2.gz HCAKRDNZBCMCPM-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cc(N)nc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000891781388 582720579 /nfs/dbraw/zinc/72/05/79/582720579.db2.gz IGLIXHWRTCGJPV-SNVBAGLBSA-N 2 1 247.346 1.263 20 0 BDADMP Cc1cc(N)nc(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000892081028 582787448 /nfs/dbraw/zinc/78/74/48/582787448.db2.gz UMJUSCFTALAORX-NSHDSACASA-N 2 1 249.362 1.509 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NC1CCC1 ZINC000848987574 582818378 /nfs/dbraw/zinc/81/83/78/582818378.db2.gz IFXQRTXTQVDZCC-UHFFFAOYSA-N 2 1 226.368 1.383 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000892517975 582905160 /nfs/dbraw/zinc/90/51/60/582905160.db2.gz WOTLSVTVKDRBMM-CYBMUJFWSA-N 3 1 241.423 1.648 20 0 BDADMP CCOc1ccc(C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000892758976 582977967 /nfs/dbraw/zinc/97/79/67/582977967.db2.gz QNCQGFZMOZLUDQ-UHFFFAOYSA-N 2 1 249.314 1.973 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000893510963 583155171 /nfs/dbraw/zinc/15/51/71/583155171.db2.gz LCSNHZHLZHRLBH-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP COCC1=CC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000893679834 583197764 /nfs/dbraw/zinc/19/77/64/583197764.db2.gz CECYGNYABZWYNG-UHFFFAOYSA-N 2 1 238.375 1.607 20 0 BDADMP Fc1cccc(/C=C/C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000894097798 583302618 /nfs/dbraw/zinc/30/26/18/583302618.db2.gz QDYASIOGKZJCSS-CKCWQTHVSA-N 2 1 246.329 1.990 20 0 BDADMP Fc1cccc(/C=C/C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000894097798 583302620 /nfs/dbraw/zinc/30/26/20/583302620.db2.gz QDYASIOGKZJCSS-CKCWQTHVSA-N 2 1 246.329 1.990 20 0 BDADMP C[N@@H+](CCCCNc1cc[nH+]cc1CO)C1CC1 ZINC000894143135 583317636 /nfs/dbraw/zinc/31/76/36/583317636.db2.gz SIDIEAZIQAVAHW-UHFFFAOYSA-N 2 1 249.358 1.282 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC000878166775 583364502 /nfs/dbraw/zinc/36/45/02/583364502.db2.gz FNJGCUFGWSWBPQ-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000857226504 588895926 /nfs/dbraw/zinc/89/59/26/588895926.db2.gz QDDMBJULAAGOHI-XQQFMLRXSA-N 2 1 224.348 1.226 20 0 BDADMP Cc1ncoc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000894780960 583520641 /nfs/dbraw/zinc/52/06/41/583520641.db2.gz BJAMBDYJICHRSA-STQMWFEESA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000894780960 583520643 /nfs/dbraw/zinc/52/06/43/583520643.db2.gz BJAMBDYJICHRSA-STQMWFEESA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000894780960 583520644 /nfs/dbraw/zinc/52/06/44/583520644.db2.gz BJAMBDYJICHRSA-STQMWFEESA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000894780960 583520646 /nfs/dbraw/zinc/52/06/46/583520646.db2.gz BJAMBDYJICHRSA-STQMWFEESA-N 2 1 249.358 1.899 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnccn1 ZINC000894984869 583564392 /nfs/dbraw/zinc/56/43/92/583564392.db2.gz MPDDKDDRUVQEGF-OLZOCXBDSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnccn1 ZINC000894984868 583564539 /nfs/dbraw/zinc/56/45/39/583564539.db2.gz MPDDKDDRUVQEGF-CHWSQXEVSA-N 2 1 248.374 1.859 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000895146275 583604533 /nfs/dbraw/zinc/60/45/33/583604533.db2.gz DQBAFBZPNCTSJE-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H](CC[NH2+]Cc1cnc2ccccn12)[NH+](C)C ZINC000895300546 583642245 /nfs/dbraw/zinc/64/22/45/583642245.db2.gz YRXGRBISXPQYAV-GFCCVEGCSA-N 2 1 246.358 1.764 20 0 BDADMP CC1=NO[C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000895307959 583648117 /nfs/dbraw/zinc/64/81/17/583648117.db2.gz VIZVCDVRBPZUCQ-CYBMUJFWSA-N 2 1 239.363 1.614 20 0 BDADMP C[C@@H]1[C@@H](Nc2cc(NC3CC3)ncn2)CC[N@H+]1C ZINC000895736249 583718486 /nfs/dbraw/zinc/71/84/86/583718486.db2.gz IRTFUIIBNHLDBL-KOLCDFICSA-N 2 1 247.346 1.555 20 0 BDADMP Cn1c2cc(F)ccc2nc1NC[C@@H]1CC[N@H+]1C ZINC000895769961 583724562 /nfs/dbraw/zinc/72/45/62/583724562.db2.gz WUTVDHXQHFUOTM-JTQLQIEISA-N 2 1 248.305 1.828 20 0 BDADMP Cc1cc(NC[C@@H]2CCN2C)nc(C2CC2)n1 ZINC000895771498 583725565 /nfs/dbraw/zinc/72/55/65/583725565.db2.gz MENIIZRCTHWKCT-NSHDSACASA-N 2 1 232.331 1.778 20 0 BDADMP C[C@@H]1[C@H](NCc2cnn(C)c2C2CC2)CC[N@@H+]1C ZINC000896555022 583811671 /nfs/dbraw/zinc/81/16/71/583811671.db2.gz WQJKMFCYOKIDKA-ZWNOBZJWSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@@H]1[C@H](NCc2cnn(C)c2C2CC2)CC[N@H+]1C ZINC000896555022 583811673 /nfs/dbraw/zinc/81/16/73/583811673.db2.gz WQJKMFCYOKIDKA-ZWNOBZJWSA-N 2 1 248.374 1.480 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H]1SC)C[NH+](C)C ZINC000896880100 583845040 /nfs/dbraw/zinc/84/50/40/583845040.db2.gz NJMCCMNNCMNRJL-UTUOFQBUSA-N 2 1 246.420 1.437 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858100143 588932632 /nfs/dbraw/zinc/93/26/32/588932632.db2.gz LEKKZRYXTPCJBY-GFCCVEGCSA-N 2 1 237.322 1.652 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858100143 588932633 /nfs/dbraw/zinc/93/26/33/588932633.db2.gz LEKKZRYXTPCJBY-GFCCVEGCSA-N 2 1 237.322 1.652 20 0 BDADMP OCc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)cc[nH+]1 ZINC000858363027 588948737 /nfs/dbraw/zinc/94/87/37/588948737.db2.gz DJXQVRQIQRBTFR-LLVKDONJSA-N 2 1 233.315 1.223 20 0 BDADMP C[C@H]1C[C@H]1NC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000864465567 584008376 /nfs/dbraw/zinc/00/83/76/584008376.db2.gz AADGIMUGXMECMU-CMPLNLGQSA-N 2 1 238.379 1.383 20 0 BDADMP CCC[N@H+]1CC[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858361120 588948841 /nfs/dbraw/zinc/94/88/41/588948841.db2.gz HTFOYYVFEHCCSI-LBPRGKRZSA-N 2 1 249.358 1.718 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H](O)C2CC2)CC1(C)C ZINC000898199993 584098938 /nfs/dbraw/zinc/09/89/38/584098938.db2.gz TWVCFDVNMKUHMQ-OLZOCXBDSA-N 2 1 240.391 1.610 20 0 BDADMP CO[C@@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)C1CC1 ZINC000898306566 584109705 /nfs/dbraw/zinc/10/97/05/584109705.db2.gz MGJAFQIZWDNOKE-ZDUSSCGKSA-N 2 1 242.407 1.931 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c(CO)c2)C[C@@H]1C ZINC000858462954 588957716 /nfs/dbraw/zinc/95/77/16/588957716.db2.gz ZHMSPMOFEILBCM-NWDGAFQWSA-N 2 1 249.358 1.493 20 0 BDADMP C([N@@H+]1CC[C@@H]2CSC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000873222085 584127220 /nfs/dbraw/zinc/12/72/20/584127220.db2.gz YYCRTFLWHYQTOZ-QBHFIFKDSA-N 2 1 238.400 1.423 20 0 BDADMP C([N@H+]1CC[C@@H]2CSC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000873222085 584127222 /nfs/dbraw/zinc/12/72/22/584127222.db2.gz YYCRTFLWHYQTOZ-QBHFIFKDSA-N 2 1 238.400 1.423 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257314 584128286 /nfs/dbraw/zinc/12/82/86/584128286.db2.gz RXHCFJXCWMIEFN-SZEHBUNVSA-N 2 1 208.309 1.106 20 0 BDADMP C[C@H](NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000899267643 584192993 /nfs/dbraw/zinc/19/29/93/584192993.db2.gz RAKJFNDXXCNUQQ-MNOVXSKESA-N 2 1 238.379 1.241 20 0 BDADMP CCn1cncc1CNc1cc(C)[nH+]c(C)n1 ZINC000902169478 584534187 /nfs/dbraw/zinc/53/41/87/584534187.db2.gz DLUDVQOWDKLPJV-UHFFFAOYSA-N 2 1 231.303 1.922 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902432696 584595633 /nfs/dbraw/zinc/59/56/33/584595633.db2.gz WKEKTBOPPRTRFO-AVGNSLFASA-N 2 1 240.391 1.658 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H](C)C1 ZINC000902472936 584601246 /nfs/dbraw/zinc/60/12/46/584601246.db2.gz LZPMZDLMKOMZNI-ZUWCUPBKSA-N 2 1 237.391 1.199 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902474646 584601785 /nfs/dbraw/zinc/60/17/85/584601785.db2.gz HEYJNYPHODZYKI-NZEXEKPDSA-N 2 1 238.375 1.673 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC1(C)C ZINC000902447272 584604879 /nfs/dbraw/zinc/60/48/79/584604879.db2.gz XUOPLVYDYIWIKS-GHMZBOCLSA-N 2 1 213.369 1.092 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)C1(C)C ZINC000902448945 584605879 /nfs/dbraw/zinc/60/58/79/584605879.db2.gz JUMTZIXOYFGJGN-IJLUTSLNSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCCC[NH2+]1 ZINC000902454725 584608975 /nfs/dbraw/zinc/60/89/75/584608975.db2.gz UIQPQOBZIZAJEH-LHWOPQQMSA-N 2 1 236.359 1.282 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@H+]1CCC(C)(C)C1 ZINC000902456655 584610175 /nfs/dbraw/zinc/61/01/75/584610175.db2.gz QADQPTLNIXCPQH-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902470816 584616205 /nfs/dbraw/zinc/61/62/05/584616205.db2.gz HEYJNYPHODZYKI-QWQWKMKNSA-N 2 1 238.375 1.673 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472153 584617105 /nfs/dbraw/zinc/61/71/05/584617105.db2.gz YCUAIXONOBYWJP-WUHRBBMRSA-N 2 1 226.364 1.674 20 0 BDADMP O[C@@H](CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000902506668 584621931 /nfs/dbraw/zinc/62/19/31/584621931.db2.gz ZLBWNWLSYJLICU-QWHCGFSZSA-N 2 1 238.375 1.412 20 0 BDADMP O[C@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000902506320 584622240 /nfs/dbraw/zinc/62/22/40/584622240.db2.gz YBJXJVBPRNRCGF-NEPJUHHUSA-N 2 1 224.348 1.022 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)[C@@H]1CCCO1 ZINC000902482466 584624350 /nfs/dbraw/zinc/62/43/50/584624350.db2.gz LPHAMVIOGVLLRU-AVGNSLFASA-N 2 1 226.364 1.676 20 0 BDADMP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000902485219 584624604 /nfs/dbraw/zinc/62/46/04/584624604.db2.gz JMKKAEGPYCTZJQ-FXPVBKGRSA-N 2 1 220.320 1.114 20 0 BDADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486953 584625865 /nfs/dbraw/zinc/62/58/65/584625865.db2.gz HYCHZFHYRJIMTJ-NGFQHRJXSA-N 3 1 247.386 1.272 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487653 584626534 /nfs/dbraw/zinc/62/65/34/584626534.db2.gz LJGGHLAHWAFDLJ-SZEHBUNVSA-N 2 1 208.309 1.106 20 0 BDADMP C1CC1[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000902517151 584629855 /nfs/dbraw/zinc/62/98/55/584629855.db2.gz HPWGTSQNANDAEA-AVGNSLFASA-N 2 1 236.359 1.286 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902516290 584630201 /nfs/dbraw/zinc/63/02/01/584630201.db2.gz CQVGQRJNUMWMBY-RYDUCSDGSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000902518520 584630560 /nfs/dbraw/zinc/63/05/60/584630560.db2.gz MDLXOWSJUNDWPA-FTYKPCCVSA-N 2 1 224.348 1.142 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902518454 584630798 /nfs/dbraw/zinc/63/07/98/584630798.db2.gz LIXPEGJGBHMEKU-TUAOUCFPSA-N 2 1 224.348 1.142 20 0 BDADMP CCn1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(C)n1 ZINC000902572670 584637023 /nfs/dbraw/zinc/63/70/23/584637023.db2.gz WAICMUIPHRGWOG-LLVKDONJSA-N 2 1 238.379 1.499 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902953233 584704589 /nfs/dbraw/zinc/70/45/89/584704589.db2.gz BIPQVDZOTIZXQU-CRWXNKLISA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902953233 584704590 /nfs/dbraw/zinc/70/45/90/584704590.db2.gz BIPQVDZOTIZXQU-CRWXNKLISA-N 2 1 238.375 1.221 20 0 BDADMP CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903071867 584726332 /nfs/dbraw/zinc/72/63/32/584726332.db2.gz FMIGOEANFGWUKI-QXMXGUDHSA-N 2 1 238.375 1.770 20 0 BDADMP CN1CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903224159 584738062 /nfs/dbraw/zinc/73/80/62/584738062.db2.gz QTWSGJPLOPDBCM-FBAPMCOASA-N 2 1 249.402 1.438 20 0 BDADMP C[N@@H+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903224159 584738064 /nfs/dbraw/zinc/73/80/64/584738064.db2.gz QTWSGJPLOPDBCM-FBAPMCOASA-N 2 1 249.402 1.438 20 0 BDADMP C[N@H+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903224159 584738066 /nfs/dbraw/zinc/73/80/66/584738066.db2.gz QTWSGJPLOPDBCM-FBAPMCOASA-N 2 1 249.402 1.438 20 0 BDADMP C[NH+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903224159 584738068 /nfs/dbraw/zinc/73/80/68/584738068.db2.gz QTWSGJPLOPDBCM-FBAPMCOASA-N 2 1 249.402 1.438 20 0 BDADMP C[NH+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903224159 584738069 /nfs/dbraw/zinc/73/80/69/584738069.db2.gz QTWSGJPLOPDBCM-FBAPMCOASA-N 2 1 249.402 1.438 20 0 BDADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903430913 584761570 /nfs/dbraw/zinc/76/15/70/584761570.db2.gz IHNZPELUEBWYDT-MNOVXSKESA-N 2 1 223.320 1.542 20 0 BDADMP COCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000903435899 584762279 /nfs/dbraw/zinc/76/22/79/584762279.db2.gz ZUDMEACLMWJSMT-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903440739 584763233 /nfs/dbraw/zinc/76/32/33/584763233.db2.gz AYOJHNHWWRAVMC-RDBSUJKOSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000903421650 584763822 /nfs/dbraw/zinc/76/38/22/584763822.db2.gz QBMARDBXBLIPDY-NWDGAFQWSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+](C2CC2)C2CCNCC2)C1 ZINC000903421650 584763823 /nfs/dbraw/zinc/76/38/23/584763823.db2.gz QBMARDBXBLIPDY-NWDGAFQWSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](C2CC2)C2CCNCC2)C1 ZINC000903421650 584763824 /nfs/dbraw/zinc/76/38/24/584763824.db2.gz QBMARDBXBLIPDY-NWDGAFQWSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903458835 584765950 /nfs/dbraw/zinc/76/59/50/584765950.db2.gz LIJZXANOKKIXBT-LPWJVIDDSA-N 3 1 225.380 1.031 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000903460811 584766509 /nfs/dbraw/zinc/76/65/09/584766509.db2.gz IRUQOLJOGODTEB-VWYCJHECSA-N 2 1 230.302 1.573 20 0 BDADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464078 584767191 /nfs/dbraw/zinc/76/71/91/584767191.db2.gz YTUNUXHDOPTOQO-RFGFWPKPSA-N 2 1 240.391 1.325 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000903464150 584767301 /nfs/dbraw/zinc/76/73/01/584767301.db2.gz BFOKGTSJIHODJW-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000903464150 584767303 /nfs/dbraw/zinc/76/73/03/584767303.db2.gz BFOKGTSJIHODJW-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000903444280 584769662 /nfs/dbraw/zinc/76/96/62/584769662.db2.gz RMRDDTQAAUVAHF-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP c1nnsc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447553 584770551 /nfs/dbraw/zinc/77/05/51/584770551.db2.gz XMZJEFPAAKVSLK-UHFFFAOYSA-N 2 1 238.360 1.114 20 0 BDADMP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C[C@@H]21 ZINC000903449854 584771458 /nfs/dbraw/zinc/77/14/58/584771458.db2.gz IUMQGFIVRULTOC-YZCVJGAOSA-N 2 1 242.313 1.429 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1 ZINC000903450192 584772149 /nfs/dbraw/zinc/77/21/49/584772149.db2.gz PCMVQTATSQAYQO-FRRDWIJNSA-N 2 1 225.380 1.044 20 0 BDADMP CC(C)[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000903450192 584772150 /nfs/dbraw/zinc/77/21/50/584772150.db2.gz PCMVQTATSQAYQO-FRRDWIJNSA-N 2 1 225.380 1.044 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC000903454585 584773505 /nfs/dbraw/zinc/77/35/05/584773505.db2.gz CYPSNJQWLDYQTD-MELADBBJSA-N 2 1 245.370 1.998 20 0 BDADMP C(CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000903470278 584774665 /nfs/dbraw/zinc/77/46/65/584774665.db2.gz JODDAMCSWDAFAW-ZDUSSCGKSA-N 2 1 237.391 1.250 20 0 BDADMP c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)nc1 ZINC000903471939 584775661 /nfs/dbraw/zinc/77/56/61/584775661.db2.gz WWNMGQAILIOGBJ-ZDUSSCGKSA-N 2 1 231.343 1.498 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903476521 584777385 /nfs/dbraw/zinc/77/73/85/584777385.db2.gz ZSNVRODFYRJYRU-HZSPNIEDSA-N 2 1 239.407 1.386 20 0 BDADMP C(C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903481688 584778205 /nfs/dbraw/zinc/77/82/05/584778205.db2.gz JVYCAFKAQUFAND-CQSZACIVSA-N 2 1 238.375 1.631 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903482161 584778486 /nfs/dbraw/zinc/77/84/86/584778486.db2.gz YPEFWNZPSVJSTA-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903482161 584778487 /nfs/dbraw/zinc/77/84/87/584778487.db2.gz YPEFWNZPSVJSTA-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000903482264 584778848 /nfs/dbraw/zinc/77/88/48/584778848.db2.gz ZZAGENQZFAOHGW-QWHCGFSZSA-N 2 1 240.391 1.922 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1(CN)CCCCC1 ZINC000903482358 584778961 /nfs/dbraw/zinc/77/89/61/584778961.db2.gz DUIAYOLGTPSPEM-OLZOCXBDSA-N 2 1 239.407 1.707 20 0 BDADMP c1cncc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903483093 584779093 /nfs/dbraw/zinc/77/90/93/584779093.db2.gz DFRTUCKVMSVOIF-CQSZACIVSA-N 2 1 245.370 1.888 20 0 BDADMP COCCCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496861 584780943 /nfs/dbraw/zinc/78/09/43/584780943.db2.gz HXWVVNSUDDBNKJ-CHWSQXEVSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903560056 584782270 /nfs/dbraw/zinc/78/22/70/584782270.db2.gz RWCGGMDKUCXKMK-AXFHLTTASA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903560056 584782271 /nfs/dbraw/zinc/78/22/71/584782271.db2.gz RWCGGMDKUCXKMK-AXFHLTTASA-N 2 1 212.337 1.081 20 0 BDADMP CC1(C)C[N@H+](Cc2cccc(N)c2)C[C@H]1N ZINC000903557860 584783247 /nfs/dbraw/zinc/78/32/47/584783247.db2.gz FLENLOLVYNUQJZ-GFCCVEGCSA-N 2 1 219.332 1.438 20 0 BDADMP CC1(C)C[N@@H+](Cc2cccc(N)c2)C[C@H]1N ZINC000903557860 584783249 /nfs/dbraw/zinc/78/32/49/584783249.db2.gz FLENLOLVYNUQJZ-GFCCVEGCSA-N 2 1 219.332 1.438 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718505 584792391 /nfs/dbraw/zinc/79/23/91/584792391.db2.gz NZKKHWVNUBKFPV-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CC(C)C2)CCO1 ZINC000903716913 584792565 /nfs/dbraw/zinc/79/25/65/584792565.db2.gz DTXFZPIMLWGHGL-POSLAHMBSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CC(C)C2)CCO1 ZINC000903716913 584792566 /nfs/dbraw/zinc/79/25/66/584792566.db2.gz DTXFZPIMLWGHGL-POSLAHMBSA-N 2 1 212.337 1.081 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903730069 584792958 /nfs/dbraw/zinc/79/29/58/584792958.db2.gz TXZPATWJVCBICZ-CHWSQXEVSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+](CCOC1CCSCC1)C1CC([NH3+])C1 ZINC000903749671 584794845 /nfs/dbraw/zinc/79/48/45/584794845.db2.gz OESFHJZLSNGKGH-UHFFFAOYSA-N 2 1 244.404 1.320 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000903761587 584797281 /nfs/dbraw/zinc/79/72/81/584797281.db2.gz WUKAGLPOAVZZBD-MVKMKZAISA-N 2 1 210.365 1.949 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1CF ZINC000903769866 584798106 /nfs/dbraw/zinc/79/81/06/584798106.db2.gz QIAJHXMQYWMVBU-UHFFFAOYSA-N 2 1 240.322 1.563 20 0 BDADMP CCO[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C[NH3+] ZINC000903768755 584798116 /nfs/dbraw/zinc/79/81/16/584798116.db2.gz QCDLNVHQUBQYEJ-FIYWTHMPSA-N 2 1 226.364 1.328 20 0 BDADMP Nc1cccc(C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903800349 584801745 /nfs/dbraw/zinc/80/17/45/584801745.db2.gz GSMQHYLEHJVYBI-ZFWWWQNUSA-N 2 1 245.370 1.972 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903800349 584801746 /nfs/dbraw/zinc/80/17/46/584801746.db2.gz GSMQHYLEHJVYBI-ZFWWWQNUSA-N 2 1 245.370 1.972 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@H]1CCCCO1 ZINC000903801517 584802156 /nfs/dbraw/zinc/80/21/56/584802156.db2.gz OBFFQOKQAUSINT-MGPQQGTHSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@H]1CCCCO1 ZINC000903801517 584802157 /nfs/dbraw/zinc/80/21/57/584802157.db2.gz OBFFQOKQAUSINT-MGPQQGTHSA-N 2 1 238.375 1.759 20 0 BDADMP C[N@H+](Cc1cccc(N)c1)C1(C[NH3+])CCOCC1 ZINC000903808205 584802849 /nfs/dbraw/zinc/80/28/49/584802849.db2.gz CLENZXOBYGQQSX-UHFFFAOYSA-N 2 1 249.358 1.209 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)C1(C[NH3+])CCOCC1 ZINC000903808205 584802850 /nfs/dbraw/zinc/80/28/50/584802850.db2.gz CLENZXOBYGQQSX-UHFFFAOYSA-N 2 1 249.358 1.209 20 0 BDADMP CC(C)CC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903812923 584803530 /nfs/dbraw/zinc/80/35/30/584803530.db2.gz BEYKFHMPIGBSLR-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903825961 584804408 /nfs/dbraw/zinc/80/44/08/584804408.db2.gz GFRCQFQMPJOGHP-WCQYABFASA-N 2 1 240.416 1.813 20 0 BDADMP C[C@]12C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827482 584804969 /nfs/dbraw/zinc/80/49/69/584804969.db2.gz UIDSJXUTWQRYOC-QKGCVVFFSA-N 2 1 232.371 1.740 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000903838596 584806521 /nfs/dbraw/zinc/80/65/21/584806521.db2.gz DGKJPJQHVPUUET-PMOUVXMZSA-N 2 1 246.354 1.532 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCCO)C2 ZINC000903845258 584807703 /nfs/dbraw/zinc/80/77/03/584807703.db2.gz GETFORMYACUBIA-XQQFMLRXSA-N 2 1 226.364 1.351 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903843354 584807786 /nfs/dbraw/zinc/80/77/86/584807786.db2.gz JHKZCCAJYBOERI-FQUUOJAGSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000903849819 584808093 /nfs/dbraw/zinc/80/80/93/584808093.db2.gz HQMWCGQVKZYJFB-KBPBESRZSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000903849819 584808094 /nfs/dbraw/zinc/80/80/94/584808094.db2.gz HQMWCGQVKZYJFB-KBPBESRZSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC1CCOCC1 ZINC000903853084 584808177 /nfs/dbraw/zinc/80/81/77/584808177.db2.gz DIGSKRYYZMMGQJ-STQMWFEESA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000903853084 584808179 /nfs/dbraw/zinc/80/81/79/584808179.db2.gz DIGSKRYYZMMGQJ-STQMWFEESA-N 2 1 224.348 1.226 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CC[C@@]32CN)O1 ZINC000903856630 584808904 /nfs/dbraw/zinc/80/89/04/584808904.db2.gz AQLPANJEPSGGJT-YVECIDJPSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CC[C@@]32CN)O1 ZINC000903856630 584808906 /nfs/dbraw/zinc/80/89/06/584808906.db2.gz AQLPANJEPSGGJT-YVECIDJPSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])O1 ZINC000903856630 584808908 /nfs/dbraw/zinc/80/89/08/584808908.db2.gz AQLPANJEPSGGJT-YVECIDJPSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])O1 ZINC000903856630 584808909 /nfs/dbraw/zinc/80/89/09/584808909.db2.gz AQLPANJEPSGGJT-YVECIDJPSA-N 2 1 224.348 1.367 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2CCC1CC[NH2+]CC1 ZINC000903854128 584809222 /nfs/dbraw/zinc/80/92/22/584809222.db2.gz IDILPSJETCNEKE-UONOGXRCSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCC1CC[NH2+]CC1 ZINC000903854128 584809224 /nfs/dbraw/zinc/80/92/24/584809224.db2.gz IDILPSJETCNEKE-UONOGXRCSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCC1CC[NH2+]CC1 ZINC000903854128 584809225 /nfs/dbraw/zinc/80/92/25/584809225.db2.gz IDILPSJETCNEKE-UONOGXRCSA-N 3 1 237.391 1.189 20 0 BDADMP CCOCCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857986 584810393 /nfs/dbraw/zinc/81/03/93/584810393.db2.gz XDBTYOVOZABXMR-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857986 584810395 /nfs/dbraw/zinc/81/03/95/584810395.db2.gz XDBTYOVOZABXMR-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCC1CC1 ZINC000903860956 584812449 /nfs/dbraw/zinc/81/24/49/584812449.db2.gz VCOMBXNQAXNDDN-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCC1CC1 ZINC000903860956 584812450 /nfs/dbraw/zinc/81/24/50/584812450.db2.gz VCOMBXNQAXNDDN-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863319 584813458 /nfs/dbraw/zinc/81/34/58/584813458.db2.gz BMUAEGFKZPEDQF-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863319 584813459 /nfs/dbraw/zinc/81/34/59/584813459.db2.gz BMUAEGFKZPEDQF-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C(C)C ZINC000903863647 584813483 /nfs/dbraw/zinc/81/34/83/584813483.db2.gz NZLZAYBDRCBPDP-MELADBBJSA-N 2 1 240.391 1.718 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C(C)C ZINC000903863647 584813484 /nfs/dbraw/zinc/81/34/84/584813484.db2.gz NZLZAYBDRCBPDP-MELADBBJSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903870035 584814438 /nfs/dbraw/zinc/81/44/38/584814438.db2.gz COYHISNKCQOUDF-NDBYEHHHSA-N 2 1 240.416 1.799 20 0 BDADMP C=C/C=C\CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870705 584814716 /nfs/dbraw/zinc/81/47/16/584814716.db2.gz PKVXYRRLRGDGAU-SCOBNMCVSA-N 2 1 206.333 1.947 20 0 BDADMP C=C/C=C\CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870705 584814717 /nfs/dbraw/zinc/81/47/17/584814717.db2.gz PKVXYRRLRGDGAU-SCOBNMCVSA-N 2 1 206.333 1.947 20 0 BDADMP C[NH2+]CCC[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903870393 584814847 /nfs/dbraw/zinc/81/48/47/584814847.db2.gz FMFGDKHSTVNTLD-MNOVXSKESA-N 2 1 214.378 1.281 20 0 BDADMP CCCC[N@@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903872561 584815321 /nfs/dbraw/zinc/81/53/21/584815321.db2.gz HFYDVTULMOYXAH-AGUYFDCRSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872732 584815344 /nfs/dbraw/zinc/81/53/44/584815344.db2.gz AYNBZVPKVQCFFW-KZWUZSNJSA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903872837 584815614 /nfs/dbraw/zinc/81/56/14/584815614.db2.gz JYOJJALPHASCMH-NSHDSACASA-N 2 1 249.349 1.385 20 0 BDADMP CC[N@@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903873566 584815804 /nfs/dbraw/zinc/81/58/04/584815804.db2.gz SMVFHYSVOHNEBU-UHFFFAOYSA-N 2 1 234.343 1.147 20 0 BDADMP CC[C@](C)(CCO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903902095 584820691 /nfs/dbraw/zinc/82/06/91/584820691.db2.gz CWEIZYAHDCPICJ-PSASIEDQSA-N 2 1 224.295 1.110 20 0 BDADMP C[C@@H](O)C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903903778 584821305 /nfs/dbraw/zinc/82/13/05/584821305.db2.gz NBQZBFAWEIDFME-LLVKDONJSA-N 2 1 234.343 1.145 20 0 BDADMP C[C@]1(CO)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903908670 584821509 /nfs/dbraw/zinc/82/15/09/584821509.db2.gz NJUHAVCQFXYKMT-WTUNAVPPSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CO ZINC000903908723 584822011 /nfs/dbraw/zinc/82/20/11/584822011.db2.gz OVWOGFBSJBXENW-APYLGABCSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1O ZINC000903909297 584822053 /nfs/dbraw/zinc/82/20/53/584822053.db2.gz SVNLAMKSCBTAMS-RKFYDKJMSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903920514 584823234 /nfs/dbraw/zinc/82/32/34/584823234.db2.gz VMCQAJIKTUZYLX-QWRGUYRKSA-N 3 1 233.359 1.158 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903939277 584823923 /nfs/dbraw/zinc/82/39/23/584823923.db2.gz FGFVBAYEYZUQFY-YNEHKIRRSA-N 3 1 239.407 1.624 20 0 BDADMP Nc1cccc(C[NH2+]C[C@H]([NH3+])CC(F)F)c1 ZINC000903933846 584825094 /nfs/dbraw/zinc/82/50/94/584825094.db2.gz WUQXPVXRTNCNII-SNVBAGLBSA-N 2 1 229.274 1.341 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918303 584826959 /nfs/dbraw/zinc/82/69/59/584826959.db2.gz WMHRJUHGRLSHFN-WTUNAVPPSA-N 3 1 239.407 1.480 20 0 BDADMP C([N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903959895 584827892 /nfs/dbraw/zinc/82/78/92/584827892.db2.gz RKQSKJRFNUYNDO-KFWWJZLASA-N 3 1 249.402 1.062 20 0 BDADMP C([N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903959895 584827893 /nfs/dbraw/zinc/82/78/93/584827893.db2.gz RKQSKJRFNUYNDO-KFWWJZLASA-N 3 1 249.402 1.062 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000903960394 584828175 /nfs/dbraw/zinc/82/81/75/584828175.db2.gz IKVNMXIMTFXFDH-MBNYWOFBSA-N 2 1 246.354 1.750 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC000903939855 584828985 /nfs/dbraw/zinc/82/89/85/584828985.db2.gz PBGKLCBLCPDMDA-NEPJUHHUSA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H](C)C1 ZINC000903939855 584828986 /nfs/dbraw/zinc/82/89/86/584828986.db2.gz PBGKLCBLCPDMDA-NEPJUHHUSA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H](C)C1 ZINC000903939855 584828987 /nfs/dbraw/zinc/82/89/87/584828987.db2.gz PBGKLCBLCPDMDA-NEPJUHHUSA-N 3 1 227.396 1.434 20 0 BDADMP Nc1ccc2c(c1)C[N@@H+](CC1(C[NH3+])CC1)CCO2 ZINC000903944411 584829826 /nfs/dbraw/zinc/82/98/26/584829826.db2.gz KEDOOBRVISYHMG-UHFFFAOYSA-N 2 1 247.342 1.202 20 0 BDADMP Nc1ccc2c(c1)C[N@H+](CC1(C[NH3+])CC1)CCO2 ZINC000903944411 584829827 /nfs/dbraw/zinc/82/98/27/584829827.db2.gz KEDOOBRVISYHMG-UHFFFAOYSA-N 2 1 247.342 1.202 20 0 BDADMP CC[N@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)[C@@H](C)C1 ZINC000903950163 584831162 /nfs/dbraw/zinc/83/11/62/584831162.db2.gz JBYQWMVQHAAIFU-FZMZJTMJSA-N 2 1 248.374 1.484 20 0 BDADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963908 584833964 /nfs/dbraw/zinc/83/39/64/584833964.db2.gz JEQKGLTUHUKEFC-JTNHKYCSSA-N 2 1 236.334 1.954 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903967126 584835141 /nfs/dbraw/zinc/83/51/41/584835141.db2.gz HMOONSDVPNVLFM-RFGFWPKPSA-N 2 1 239.407 1.162 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903967126 584835143 /nfs/dbraw/zinc/83/51/43/584835143.db2.gz HMOONSDVPNVLFM-RFGFWPKPSA-N 3 1 239.407 1.162 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903967126 584835145 /nfs/dbraw/zinc/83/51/45/584835145.db2.gz HMOONSDVPNVLFM-RFGFWPKPSA-N 3 1 239.407 1.162 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299705 584860509 /nfs/dbraw/zinc/86/05/09/584860509.db2.gz MDDHFADAUOGDAY-DOMZBBRYSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904301554 584861406 /nfs/dbraw/zinc/86/14/06/584861406.db2.gz NRRORSCUCNEWEZ-QWHCGFSZSA-N 2 1 226.364 1.080 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334434 584866893 /nfs/dbraw/zinc/86/68/93/584866893.db2.gz WBDWGZHTTCGEIF-KBPBESRZSA-N 3 1 239.407 1.437 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](OCC3CC3)C2)C1 ZINC000904341566 584867041 /nfs/dbraw/zinc/86/70/41/584867041.db2.gz PKWXPHQQSYHCGL-HZSPNIEDSA-N 2 1 238.375 1.615 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340917 584867300 /nfs/dbraw/zinc/86/73/00/584867300.db2.gz NVXSRQIGLXFUIF-MQYQWHSLSA-N 3 1 239.407 1.528 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340917 584867301 /nfs/dbraw/zinc/86/73/01/584867301.db2.gz NVXSRQIGLXFUIF-MQYQWHSLSA-N 3 1 239.407 1.528 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340917 584867302 /nfs/dbraw/zinc/86/73/02/584867302.db2.gz NVXSRQIGLXFUIF-MQYQWHSLSA-N 3 1 239.407 1.528 20 0 BDADMP CCN1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340917 584867303 /nfs/dbraw/zinc/86/73/03/584867303.db2.gz NVXSRQIGLXFUIF-MQYQWHSLSA-N 2 1 239.407 1.528 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340917 584867304 /nfs/dbraw/zinc/86/73/04/584867304.db2.gz NVXSRQIGLXFUIF-MQYQWHSLSA-N 2 1 239.407 1.528 20 0 BDADMP C[C@@H]1CC2(CCC2)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347190 584868355 /nfs/dbraw/zinc/86/83/55/584868355.db2.gz DZGJEZOCSRSWMR-UTUOFQBUSA-N 2 1 208.349 1.988 20 0 BDADMP COC(=O)[C@@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000904348775 584868958 /nfs/dbraw/zinc/86/89/58/584868958.db2.gz VEHYLPKVUMIIGO-MXWKQRLJSA-N 2 1 240.347 1.140 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904350050 584869167 /nfs/dbraw/zinc/86/91/67/584869167.db2.gz GKUHKGWMPAHHPN-CYBMUJFWSA-N 3 1 221.348 1.218 20 0 BDADMP [NH3+]CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCCC1 ZINC000904351470 584869586 /nfs/dbraw/zinc/86/95/86/584869586.db2.gz ZEZZSMYFHIHKCE-OKILXGFUSA-N 3 1 239.407 1.565 20 0 BDADMP CC(C)(C)CC[C@H](N)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000904354850 584870618 /nfs/dbraw/zinc/87/06/18/584870618.db2.gz JTCDUNRFUXVCLP-FRRDWIJNSA-N 2 1 241.423 1.857 20 0 BDADMP C[C@@]1(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000904355171 584870759 /nfs/dbraw/zinc/87/07/59/584870759.db2.gz LFULMUGOMSTYBL-OKILXGFUSA-N 3 1 239.407 1.355 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000904355472 584871153 /nfs/dbraw/zinc/87/11/53/584871153.db2.gz ODQFXRSJFKURAQ-BXUZGUMPSA-N 2 1 233.359 1.233 20 0 BDADMP C[C@H](CO)[N@@H+](CC1CCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904367636 584872607 /nfs/dbraw/zinc/87/26/07/584872607.db2.gz BBRMXRROUAESHF-RTXFEEFZSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904377060 584876298 /nfs/dbraw/zinc/87/62/98/584876298.db2.gz IRLUNJCKGGVWOV-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCC[NH2+]C1 ZINC000904385910 584877658 /nfs/dbraw/zinc/87/76/58/584877658.db2.gz JLZBVDZZQZZLTG-RFQIPJPRSA-N 2 1 238.375 1.079 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405039 584878345 /nfs/dbraw/zinc/87/83/45/584878345.db2.gz HLGDNAKRLXWZID-LLVKDONJSA-N 2 1 242.363 1.246 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000904407092 584878415 /nfs/dbraw/zinc/87/84/15/584878415.db2.gz NFZDDIYYZJNECI-LLVKDONJSA-N 2 1 207.321 1.196 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000904405593 584878417 /nfs/dbraw/zinc/87/84/17/584878417.db2.gz KCYPWRGABWZHMH-GFCCVEGCSA-N 2 1 244.342 1.505 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904409702 584879310 /nfs/dbraw/zinc/87/93/10/584879310.db2.gz GQOCQHCGJLMQHP-AVGNSLFASA-N 2 1 227.396 1.277 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904409702 584879311 /nfs/dbraw/zinc/87/93/11/584879311.db2.gz GQOCQHCGJLMQHP-AVGNSLFASA-N 2 1 227.396 1.277 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412342 584879541 /nfs/dbraw/zinc/87/95/41/584879541.db2.gz SXMCVYKXBHSPFP-VXGBXAGGSA-N 2 1 236.363 1.320 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncs2)CC[C@H]1C[NH3+] ZINC000904412571 584879703 /nfs/dbraw/zinc/87/97/03/584879703.db2.gz WMYBOELXWBZKAJ-ZJUUUORDSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncs2)CC[C@H]1C[NH3+] ZINC000904412569 584879777 /nfs/dbraw/zinc/87/97/77/584879777.db2.gz WMYBOELXWBZKAJ-UWVGGRQHSA-N 2 1 225.361 1.560 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904411089 584879783 /nfs/dbraw/zinc/87/97/83/584879783.db2.gz JYDYSCQYVGDWFK-WCQYABFASA-N 2 1 236.363 1.320 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CSC(C)(C)C ZINC000817966090 584992814 /nfs/dbraw/zinc/99/28/14/584992814.db2.gz GFMHMOWJVUCQCX-BDAKNGLRSA-N 2 1 204.383 1.843 20 0 BDADMP C[C@H](CCO)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000840810131 585048890 /nfs/dbraw/zinc/04/88/90/585048890.db2.gz QIVCZJHYZGMNOD-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000839659412 585333871 /nfs/dbraw/zinc/33/38/71/585333871.db2.gz CTDRAHVYPKYSPK-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000839659412 585333872 /nfs/dbraw/zinc/33/38/72/585333872.db2.gz CTDRAHVYPKYSPK-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP O=C(CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CC1 ZINC000767429207 585519948 /nfs/dbraw/zinc/51/99/48/585519948.db2.gz MDXOCBZKKWPXAT-LBPRGKRZSA-N 2 1 247.342 1.958 20 0 BDADMP C[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000767586330 585522833 /nfs/dbraw/zinc/52/28/33/585522833.db2.gz GAHHHCYYVCZVJV-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP O[C@@H](CN1CCCC1)C[N@H+]1CCCC12CCC2 ZINC000769984067 585568661 /nfs/dbraw/zinc/56/86/61/585568661.db2.gz KFFPAUPXGHLWDL-ZDUSSCGKSA-N 2 1 238.375 1.462 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC12CCC2 ZINC000769984067 585568662 /nfs/dbraw/zinc/56/86/62/585568662.db2.gz KFFPAUPXGHLWDL-ZDUSSCGKSA-N 2 1 238.375 1.462 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC12CCC2 ZINC000769984067 585568663 /nfs/dbraw/zinc/56/86/63/585568663.db2.gz KFFPAUPXGHLWDL-ZDUSSCGKSA-N 2 1 238.375 1.462 20 0 BDADMP C[C@H](CCO)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000779337977 585751580 /nfs/dbraw/zinc/75/15/80/585751580.db2.gz JMKUVGIPXSDLLY-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP c1ccc2c(c1)CC[C@H]2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000780284996 585776900 /nfs/dbraw/zinc/77/69/00/585776900.db2.gz HBAFOMPKTKAWJC-SOUVJXGZSA-N 2 1 242.366 1.868 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000783240775 585831913 /nfs/dbraw/zinc/83/19/13/585831913.db2.gz QPLWXLZKIJGBBG-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)o1 ZINC000787303609 585906428 /nfs/dbraw/zinc/90/64/28/585906428.db2.gz IIZHICWUTUAFET-OKILXGFUSA-N 2 1 234.343 1.890 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)o1 ZINC000787303609 585906429 /nfs/dbraw/zinc/90/64/29/585906429.db2.gz IIZHICWUTUAFET-OKILXGFUSA-N 2 1 234.343 1.890 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)o1 ZINC000787303609 585906430 /nfs/dbraw/zinc/90/64/30/585906430.db2.gz IIZHICWUTUAFET-OKILXGFUSA-N 2 1 234.343 1.890 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)o1 ZINC000787303609 585906431 /nfs/dbraw/zinc/90/64/31/585906431.db2.gz IIZHICWUTUAFET-OKILXGFUSA-N 2 1 234.343 1.890 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000788478853 585925457 /nfs/dbraw/zinc/92/54/57/585925457.db2.gz KCPJGVIFLSKGMC-GFCCVEGCSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799325058 586172103 /nfs/dbraw/zinc/17/21/03/586172103.db2.gz WXVQZLYBIHNSEN-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000806138179 586405241 /nfs/dbraw/zinc/40/52/41/586405241.db2.gz SDUXXGRFPLEDFX-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000806138179 586405242 /nfs/dbraw/zinc/40/52/42/586405242.db2.gz SDUXXGRFPLEDFX-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817888939 586832382 /nfs/dbraw/zinc/83/23/82/586832382.db2.gz LZSNYQAYZSWOGH-BFHYXJOUSA-N 2 1 234.343 1.498 20 0 BDADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817891824 586833066 /nfs/dbraw/zinc/83/30/66/586833066.db2.gz HOUIESMCOILDPX-MELADBBJSA-N 2 1 234.343 1.498 20 0 BDADMP CCN(C)c1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817902660 586836158 /nfs/dbraw/zinc/83/61/58/586836158.db2.gz WKQJMSXZSXXSIZ-LBPRGKRZSA-N 2 1 247.386 1.840 20 0 BDADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000817910075 586838038 /nfs/dbraw/zinc/83/80/38/586838038.db2.gz JGVHVFWYNXTZTL-MGPQQGTHSA-N 2 1 234.343 1.498 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cc1ccco1)[C@H]1CCC[NH2+]1 ZINC000817913824 586839776 /nfs/dbraw/zinc/83/97/76/586839776.db2.gz MFJLOUKNYDGELK-DMDPSCGWSA-N 2 1 222.332 1.941 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000817918922 586840258 /nfs/dbraw/zinc/84/02/58/586840258.db2.gz ZPKDKAWMARJEMY-PWSUYJOCSA-N 2 1 237.322 1.698 20 0 BDADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817928929 586842258 /nfs/dbraw/zinc/84/22/58/586842258.db2.gz IJZXWWPKRMZZBP-RBSFLKMASA-N 2 1 248.370 1.752 20 0 BDADMP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000817949628 586847172 /nfs/dbraw/zinc/84/71/72/586847172.db2.gz LCQKKHUJDAVYSL-AGIUHOORSA-N 2 1 208.349 1.907 20 0 BDADMP c1n[nH]c2c1[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976621 586860193 /nfs/dbraw/zinc/86/01/93/586860193.db2.gz PSLIIIXYFOOALX-AAEUAGOBSA-N 2 1 246.358 1.519 20 0 BDADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C)CC1 ZINC000827372512 587378614 /nfs/dbraw/zinc/37/86/14/587378614.db2.gz AWKNOFYNNCCFEK-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)CC1 ZINC000827372512 587378615 /nfs/dbraw/zinc/37/86/15/587378615.db2.gz AWKNOFYNNCCFEK-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@]1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1(Cl)Cl ZINC000827457980 587381504 /nfs/dbraw/zinc/38/15/04/587381504.db2.gz NFTMKZOODURWOB-LPEHRKFASA-N 2 1 249.185 1.722 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](CCC[NH3+])C2)CC1 ZINC000841022878 587935759 /nfs/dbraw/zinc/93/57/59/587935759.db2.gz RRKGNTUVCMWKKO-UHFFFAOYSA-N 3 1 225.380 1.143 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033137 587936859 /nfs/dbraw/zinc/93/68/59/587936859.db2.gz LOPNZNSNYONFAD-HNNXBMFYSA-N 3 1 249.402 1.651 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000841032319 587937212 /nfs/dbraw/zinc/93/72/12/587937212.db2.gz CKGNAYPITSMKOK-MELADBBJSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1cncc2ccccc21 ZINC000841063889 587941447 /nfs/dbraw/zinc/94/14/47/587941447.db2.gz RVZXJYAFPXXFRC-JTQLQIEISA-N 2 1 215.300 1.672 20 0 BDADMP [NH3+]CCCCCCC[N@@H+](CCO)C1CC1 ZINC000842471459 588028757 /nfs/dbraw/zinc/02/87/57/588028757.db2.gz CFJITNKFDAUDRG-UHFFFAOYSA-N 2 1 214.353 1.352 20 0 BDADMP [NH3+]C1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000843047624 588076279 /nfs/dbraw/zinc/07/62/79/588076279.db2.gz RLPAATYUDWLWNP-UHFFFAOYSA-N 2 1 232.327 1.640 20 0 BDADMP CC(C)C[C@@H](N)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843054895 588077481 /nfs/dbraw/zinc/07/74/81/588077481.db2.gz MMXNQIPPJSDYNB-OTTFEQOBSA-N 2 1 227.396 1.562 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN(C)C1CCC([NH3+])CC1 ZINC000843054895 588077482 /nfs/dbraw/zinc/07/74/82/588077482.db2.gz MMXNQIPPJSDYNB-OTTFEQOBSA-N 2 1 227.396 1.562 20 0 BDADMP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120195 588083457 /nfs/dbraw/zinc/08/34/57/588083457.db2.gz RWESCBVEKZZBKV-UHFFFAOYSA-N 2 1 248.374 1.479 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348334 588102683 /nfs/dbraw/zinc/10/26/83/588102683.db2.gz JWYWTZMZWJFRNJ-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843355677 588103038 /nfs/dbraw/zinc/10/30/38/588103038.db2.gz SXZUGHHDPJBJJC-HSBZDZAISA-N 3 1 239.407 1.578 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843377995 588105701 /nfs/dbraw/zinc/10/57/01/588105701.db2.gz DCUNERFHIVTLRX-AWEZNQCLSA-N 3 1 241.423 1.956 20 0 BDADMP [NH3+]CC1(CC[NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000844919079 588219263 /nfs/dbraw/zinc/21/92/63/588219263.db2.gz BXPQTLYHQMDDAG-NSHDSACASA-N 2 1 234.347 1.506 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000846217175 588260281 /nfs/dbraw/zinc/26/02/81/588260281.db2.gz CAMGDFZQSQNDID-DOMZBBRYSA-N 2 1 248.370 1.576 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846219649 588260843 /nfs/dbraw/zinc/26/08/43/588260843.db2.gz DNXGANXOLCDZNG-UHFFFAOYSA-N 3 1 239.407 1.581 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@H+]1CCCCCC[NH3+] ZINC000846220204 588260915 /nfs/dbraw/zinc/26/09/15/588260915.db2.gz KPSWWGUWNRIXNC-TXEJJXNPSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CCCCCC[NH3+] ZINC000846220204 588260916 /nfs/dbraw/zinc/26/09/16/588260916.db2.gz KPSWWGUWNRIXNC-TXEJJXNPSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@H](C)CN1 ZINC000846220145 588261057 /nfs/dbraw/zinc/26/10/57/588261057.db2.gz DGIBGZPJQNSXFM-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1CN(CCCCCC[NH3+])[C@H](C)C[NH2+]1 ZINC000846220145 588261058 /nfs/dbraw/zinc/26/10/58/588261058.db2.gz DGIBGZPJQNSXFM-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000846220834 588261262 /nfs/dbraw/zinc/26/12/62/588261262.db2.gz VOSOTKISONQKFU-MJBXVCDLSA-N 3 1 239.407 1.565 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@H]1C[C@H]1c1ccccc1 ZINC000846221339 588261365 /nfs/dbraw/zinc/26/13/65/588261365.db2.gz BZTNIGZXNAUHPD-KBPBESRZSA-N 2 1 234.343 1.450 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C1(C(N)=O)CCCC1 ZINC000846220595 588261432 /nfs/dbraw/zinc/26/14/32/588261432.db2.gz MJXOCVFWTNQANB-UHFFFAOYSA-N 2 1 241.379 1.235 20 0 BDADMP CCN1C[C@H](C)[N@@H+](CCCCCC[NH3+])C[C@@H]1C ZINC000846221264 588261461 /nfs/dbraw/zinc/26/14/61/588261461.db2.gz VWRWDUPLYANRQS-KBPBESRZSA-N 2 1 241.423 1.920 20 0 BDADMP CC[N@@H+]1C[C@H](C)N(CCCCCC[NH3+])C[C@@H]1C ZINC000846221264 588261462 /nfs/dbraw/zinc/26/14/62/588261462.db2.gz VWRWDUPLYANRQS-KBPBESRZSA-N 2 1 241.423 1.920 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CCCCCC[NH3+])C[C@@H]1C ZINC000846221264 588261463 /nfs/dbraw/zinc/26/14/63/588261463.db2.gz VWRWDUPLYANRQS-KBPBESRZSA-N 2 1 241.423 1.920 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCCC[NH3+] ZINC000846706953 588283775 /nfs/dbraw/zinc/28/37/75/588283775.db2.gz BPGKIPRMXVCUQM-STQMWFEESA-N 3 1 227.396 1.707 20 0 BDADMP CCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848987007 588425739 /nfs/dbraw/zinc/42/57/39/588425739.db2.gz DOKVTPDBIKHSSY-NWDGAFQWSA-N 2 1 240.395 1.773 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])N1CCC1)C1CCCCC1 ZINC000848987955 588426003 /nfs/dbraw/zinc/42/60/03/588426003.db2.gz SCCYTDZHVPWQFR-UHFFFAOYSA-N 2 1 238.379 1.481 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000848987497 588426235 /nfs/dbraw/zinc/42/62/35/588426235.db2.gz BHJNRVFAQDPHFV-NWDGAFQWSA-N 2 1 240.395 1.631 20 0 BDADMP C[C@@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCCC[C@H]1C ZINC000848987080 588426383 /nfs/dbraw/zinc/42/63/83/588426383.db2.gz HTCXHDVIFJDGLJ-NEPJUHHUSA-N 2 1 238.379 1.479 20 0 BDADMP CCCCNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000849020370 588438511 /nfs/dbraw/zinc/43/85/11/588438511.db2.gz AGUYQZBNPNYVRA-SNVBAGLBSA-N 2 1 235.335 1.112 20 0 BDADMP CC(C)NC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000849023084 588439455 /nfs/dbraw/zinc/43/94/55/588439455.db2.gz KMIGGKUUYTWAHG-UHFFFAOYSA-N 2 1 240.395 1.631 20 0 BDADMP CNC(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000849026020 588440481 /nfs/dbraw/zinc/44/04/81/588440481.db2.gz JPKCYQMNFXOJRK-GFCCVEGCSA-N 2 1 238.379 1.527 20 0 BDADMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCC ZINC000849027678 588441382 /nfs/dbraw/zinc/44/13/82/588441382.db2.gz DFGNMXJAXOASJJ-NSHDSACASA-N 2 1 226.368 1.385 20 0 BDADMP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCC ZINC000849027864 588441448 /nfs/dbraw/zinc/44/14/48/588441448.db2.gz MFLWXFSNDIIFPF-LBPRGKRZSA-N 2 1 240.395 1.775 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])NC1CCC1 ZINC000849047292 588450853 /nfs/dbraw/zinc/45/08/53/588450853.db2.gz UDQXYWFGLJSFMB-UHFFFAOYSA-N 2 1 240.395 1.631 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC1=[NH+]CCCCN1 ZINC000849216020 588462460 /nfs/dbraw/zinc/46/24/60/588462460.db2.gz QCYYICJVMHIWGX-LBPRGKRZSA-N 2 1 238.379 1.190 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNC2=[NH+]CCCCN2)C1 ZINC000849218060 588462525 /nfs/dbraw/zinc/46/25/25/588462525.db2.gz NOLKLHZGAMHFCU-LBPRGKRZSA-N 2 1 238.379 1.047 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H]1CCC[NH2+]1)C2 ZINC000849350073 588474898 /nfs/dbraw/zinc/47/48/98/588474898.db2.gz JPIYYQWLDLINML-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@@H]1CCC[NH2+]1)C2 ZINC000849350073 588474900 /nfs/dbraw/zinc/47/49/00/588474900.db2.gz JPIYYQWLDLINML-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C=CCC1 ZINC000850358664 588539313 /nfs/dbraw/zinc/53/93/13/588539313.db2.gz IYRYBZZNAPXYKK-LBPRGKRZSA-N 2 1 217.316 1.956 20 0 BDADMP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c[nH]1 ZINC000850395894 588544011 /nfs/dbraw/zinc/54/40/11/588544011.db2.gz DIHFCOKFAGQJIP-CQSZACIVSA-N 2 1 249.358 1.358 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000851781865 588628035 /nfs/dbraw/zinc/62/80/35/588628035.db2.gz HCNCGPOBAKHPQP-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000851781865 588628036 /nfs/dbraw/zinc/62/80/36/588628036.db2.gz HCNCGPOBAKHPQP-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000851781865 588628037 /nfs/dbraw/zinc/62/80/37/588628037.db2.gz HCNCGPOBAKHPQP-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000851781865 588628038 /nfs/dbraw/zinc/62/80/38/588628038.db2.gz HCNCGPOBAKHPQP-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[N@H+](CCF)CCCn1cc[nH+]c1C ZINC000852482830 588684679 /nfs/dbraw/zinc/68/46/79/588684679.db2.gz QFNINGYDEFPHQY-UHFFFAOYSA-N 2 1 243.326 1.500 20 0 BDADMP COCC[N@@H+](CCF)CCCn1cc[nH+]c1C ZINC000852482830 588684680 /nfs/dbraw/zinc/68/46/80/588684680.db2.gz QFNINGYDEFPHQY-UHFFFAOYSA-N 2 1 243.326 1.500 20 0 BDADMP FC(F)OCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852747098 588698955 /nfs/dbraw/zinc/69/89/55/588698955.db2.gz XMFLVSFVUGCPSS-UHFFFAOYSA-N 2 1 234.290 1.301 20 0 BDADMP CCc1nocc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000852743755 588698961 /nfs/dbraw/zinc/69/89/61/588698961.db2.gz IYAXBDDPIIDFMA-SNVBAGLBSA-N 2 1 223.320 1.408 20 0 BDADMP CCc1nocc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000852743755 588698962 /nfs/dbraw/zinc/69/89/62/588698962.db2.gz IYAXBDDPIIDFMA-SNVBAGLBSA-N 2 1 223.320 1.408 20 0 BDADMP CN1CC[N@@H+](CCCCCCC[NH3+])CCC1=O ZINC000852759098 588700700 /nfs/dbraw/zinc/70/07/00/588700700.db2.gz JQTZDOLWGXAIGX-UHFFFAOYSA-N 2 1 241.379 1.060 20 0 BDADMP Cc1c(F)nccc1C[NH2+]CCC[NH+](C)C ZINC000862264445 589198237 /nfs/dbraw/zinc/19/82/37/589198237.db2.gz RUKLXPUXOJBXOR-UHFFFAOYSA-N 2 1 225.311 1.570 20 0 BDADMP C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863481310 589292594 /nfs/dbraw/zinc/29/25/94/589292594.db2.gz BWJICYNJSRTMMX-WCQYABFASA-N 2 1 248.374 1.225 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CCSC1 ZINC000863482377 589292669 /nfs/dbraw/zinc/29/26/69/589292669.db2.gz GYHQSFAOTTZKMI-VHSXEESVSA-N 2 1 212.362 1.366 20 0 BDADMP CC[N@@H+](CCN)CCCCCCC[NH3+] ZINC000863550862 589298674 /nfs/dbraw/zinc/29/86/74/589298674.db2.gz DKIXGNDQZLDJQB-UHFFFAOYSA-N 2 1 201.358 1.176 20 0 BDADMP CCN(CC[NH3+])CCCCCCC[NH3+] ZINC000863550862 589298676 /nfs/dbraw/zinc/29/86/76/589298676.db2.gz DKIXGNDQZLDJQB-UHFFFAOYSA-N 2 1 201.358 1.176 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCCC[NH3+] ZINC000863567201 589299524 /nfs/dbraw/zinc/29/95/24/589299524.db2.gz CNHDBPANXNHJMV-NSHDSACASA-N 3 1 201.358 1.175 20 0 BDADMP C[C@H]([NH3+])CN(C)CCCCCCC[NH3+] ZINC000863567201 589299525 /nfs/dbraw/zinc/29/95/25/589299525.db2.gz CNHDBPANXNHJMV-NSHDSACASA-N 2 1 201.358 1.175 20 0 BDADMP C[C@H](N)C[N@H+](C)CCCCCCC[NH3+] ZINC000863567201 589299526 /nfs/dbraw/zinc/29/95/26/589299526.db2.gz CNHDBPANXNHJMV-NSHDSACASA-N 2 1 201.358 1.175 20 0 BDADMP C[C@H](N)C[N@@H+](C)CCCCCCC[NH3+] ZINC000863567201 589299527 /nfs/dbraw/zinc/29/95/27/589299527.db2.gz CNHDBPANXNHJMV-NSHDSACASA-N 2 1 201.358 1.175 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000864055229 589336211 /nfs/dbraw/zinc/33/62/11/589336211.db2.gz KXWFLNVCXJKBOQ-NSHDSACASA-N 2 1 237.347 1.851 20 0 BDADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000864450830 589364548 /nfs/dbraw/zinc/36/45/48/589364548.db2.gz CRTHIJQLJQHGGJ-UTUOFQBUSA-N 2 1 238.379 1.241 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000864453368 589365544 /nfs/dbraw/zinc/36/55/44/589365544.db2.gz YYJHVJHDUGLCTE-LBPRGKRZSA-N 2 1 240.395 1.773 20 0 BDADMP CC[C@H]1CCN(C(=[NH2+])NCC[N@H+](C)C2CC2)C1 ZINC000864457792 589367875 /nfs/dbraw/zinc/36/78/75/589367875.db2.gz UVKWDUDXZJPGAY-NSHDSACASA-N 2 1 238.379 1.337 20 0 BDADMP CC[C@H]1CCN(C(=[NH2+])NCC[N@@H+](C)C2CC2)C1 ZINC000864457792 589367876 /nfs/dbraw/zinc/36/78/76/589367876.db2.gz UVKWDUDXZJPGAY-NSHDSACASA-N 2 1 238.379 1.337 20 0 BDADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000864457579 589367881 /nfs/dbraw/zinc/36/78/81/589367881.db2.gz FJVCDPYYTPJMNF-CMPLNLGQSA-N 2 1 238.379 1.383 20 0 BDADMP CC[C@@H]1CCN(C(=[NH2+])NCC2([NH+](C)C)CC2)C1 ZINC000864468433 589372365 /nfs/dbraw/zinc/37/23/65/589372365.db2.gz FCYLGFUSROYGTA-LLVKDONJSA-N 2 1 238.379 1.337 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000864468925 589372534 /nfs/dbraw/zinc/37/25/34/589372534.db2.gz KZFOUUOQHYCYPT-UHFFFAOYSA-N 2 1 226.368 1.383 20 0 BDADMP Cn1cc([C@@H]2C[N@@H+](CCCC3CC3)C[C@H]2N)cn1 ZINC000866667727 589510341 /nfs/dbraw/zinc/51/03/41/589510341.db2.gz WIRWHWKMAUDZNT-UONOGXRCSA-N 2 1 248.374 1.337 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@H+]1CCCCCCC[NH3+] ZINC000866681985 589511517 /nfs/dbraw/zinc/51/15/17/589511517.db2.gz DPCFOBIZOTYPAW-NEPJUHHUSA-N 2 1 213.369 1.317 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCCCCC[NH3+] ZINC000866681985 589511519 /nfs/dbraw/zinc/51/15/19/589511519.db2.gz DPCFOBIZOTYPAW-NEPJUHHUSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCCCCC[NH3+] ZINC000866681985 589511521 /nfs/dbraw/zinc/51/15/21/589511521.db2.gz DPCFOBIZOTYPAW-NEPJUHHUSA-N 3 1 213.369 1.317 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866704726 589513230 /nfs/dbraw/zinc/51/32/30/589513230.db2.gz XFGPXCBIHMDSDR-OCCSQVGLSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866704726 589513231 /nfs/dbraw/zinc/51/32/31/589513231.db2.gz XFGPXCBIHMDSDR-OCCSQVGLSA-N 3 1 239.407 1.293 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866717329 589514125 /nfs/dbraw/zinc/51/41/25/589514125.db2.gz BSALKOCBYVYZDK-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866717329 589514126 /nfs/dbraw/zinc/51/41/26/589514126.db2.gz BSALKOCBYVYZDK-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706209 589514282 /nfs/dbraw/zinc/51/42/82/589514282.db2.gz NGRBMERKKSLHGX-AAEUAGOBSA-N 2 1 228.380 1.718 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722933 589515168 /nfs/dbraw/zinc/51/51/68/589515168.db2.gz ASYKBOZIJORAKR-MJBXVCDLSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722933 589515169 /nfs/dbraw/zinc/51/51/69/589515169.db2.gz ASYKBOZIJORAKR-MJBXVCDLSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722931 589515440 /nfs/dbraw/zinc/51/54/40/589515440.db2.gz ASYKBOZIJORAKR-MELADBBJSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722931 589515441 /nfs/dbraw/zinc/51/54/41/589515441.db2.gz ASYKBOZIJORAKR-MELADBBJSA-N 3 1 237.391 1.202 20 0 BDADMP CC[C@@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796758 589819773 /nfs/dbraw/zinc/81/97/73/589819773.db2.gz KGMXJPGRTIWDJI-FWKUWYBHSA-N 2 1 236.319 1.477 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1 ZINC000872144501 589884140 /nfs/dbraw/zinc/88/41/40/589884140.db2.gz GROWSIUVZMLSAB-AXFHLTTASA-N 2 1 214.353 1.374 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872144442 589884422 /nfs/dbraw/zinc/88/44/22/589884422.db2.gz ZBOHKZGUIPWBBQ-RWMBFGLXSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000872156404 589884638 /nfs/dbraw/zinc/88/46/38/589884638.db2.gz JDCWJPYOEFBYME-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1csc([C@H]2CC[N@@H+](CCC[NH3+])C2)n1 ZINC000872150041 589885188 /nfs/dbraw/zinc/88/51/88/589885188.db2.gz XLZQQFVOQAMMRA-JTQLQIEISA-N 2 1 225.361 1.590 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCC1 ZINC000872154205 589885252 /nfs/dbraw/zinc/88/52/52/589885252.db2.gz NKKSODFEHGIKQN-BFHYXJOUSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC[C@H]1CCC[NH2+]C1 ZINC000872155519 589885800 /nfs/dbraw/zinc/88/58/00/589885800.db2.gz OGGIINYQIOSVDP-CQSZACIVSA-N 3 1 241.423 1.827 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC[C@@H]1CC[NH2+]C1 ZINC000872155193 589886394 /nfs/dbraw/zinc/88/63/94/589886394.db2.gz GOULNFDETAXIMO-ZDUSSCGKSA-N 3 1 227.396 1.437 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc[nH]n2)C1 ZINC000873224064 590000839 /nfs/dbraw/zinc/00/08/39/590000839.db2.gz XCZUUQDBVUJWKH-CYBMUJFWSA-N 2 1 236.363 1.607 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000873224064 590000842 /nfs/dbraw/zinc/00/08/42/590000842.db2.gz XCZUUQDBVUJWKH-CYBMUJFWSA-N 2 1 236.363 1.607 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCS1 ZINC000873225137 590000895 /nfs/dbraw/zinc/00/08/95/590000895.db2.gz OIQXNOOHCWVUKV-TUAOUCFPSA-N 2 1 228.405 1.812 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000873231505 590002659 /nfs/dbraw/zinc/00/26/59/590002659.db2.gz LEUMRIDIRIQWBB-ZDUSSCGKSA-N 3 1 227.396 1.437 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccccc21 ZINC000873249865 590007829 /nfs/dbraw/zinc/00/78/29/590007829.db2.gz NEVDETIFTZAXLQ-RDBQEKCUSA-N 2 1 231.343 1.458 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873270881 590015934 /nfs/dbraw/zinc/01/59/34/590015934.db2.gz BXLVAHGPSYUFJG-VHSXEESVSA-N 2 1 236.363 1.757 20 0 BDADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000873272825 590017055 /nfs/dbraw/zinc/01/70/55/590017055.db2.gz WSBIRQRPRJLIOZ-SGMGOOAPSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]([NH3+])CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000877102260 590283444 /nfs/dbraw/zinc/28/34/44/590283444.db2.gz CZLRDPQZTMZBRK-DGCLKSJQSA-N 2 1 249.358 1.095 20 0 BDADMP CCSCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738236 590404431 /nfs/dbraw/zinc/40/44/31/590404431.db2.gz ATFLWCNTXBKEFQ-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738236 590404433 /nfs/dbraw/zinc/40/44/33/590404433.db2.gz ATFLWCNTXBKEFQ-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877738236 590404435 /nfs/dbraw/zinc/40/44/35/590404435.db2.gz ATFLWCNTXBKEFQ-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738236 590404438 /nfs/dbraw/zinc/40/44/38/590404438.db2.gz ATFLWCNTXBKEFQ-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3(C)CC3)CC[C@H]21 ZINC000877738227 590404542 /nfs/dbraw/zinc/40/45/42/590404542.db2.gz ASHHRMGHGYPETP-NWDGAFQWSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3(C)CC3)CC[C@H]21 ZINC000877738227 590404543 /nfs/dbraw/zinc/40/45/43/590404543.db2.gz ASHHRMGHGYPETP-NWDGAFQWSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(C)CC3)CC[C@H]21 ZINC000877738227 590404544 /nfs/dbraw/zinc/40/45/44/590404544.db2.gz ASHHRMGHGYPETP-NWDGAFQWSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCSC3)CC[C@H]21 ZINC000877743872 590411079 /nfs/dbraw/zinc/41/10/79/590411079.db2.gz YRUNOKSTOOLJES-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCSC3)CC[C@H]21 ZINC000877743872 590411072 /nfs/dbraw/zinc/41/10/72/590411072.db2.gz YRUNOKSTOOLJES-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCSC3)CC[C@H]21 ZINC000877743872 590411074 /nfs/dbraw/zinc/41/10/74/590411074.db2.gz YRUNOKSTOOLJES-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCSC3)CC[C@H]21 ZINC000877743872 590411077 /nfs/dbraw/zinc/41/10/77/590411077.db2.gz YRUNOKSTOOLJES-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000878105229 590494762 /nfs/dbraw/zinc/49/47/62/590494762.db2.gz YNZWNCMLTCXOQK-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC000878550566 590590249 /nfs/dbraw/zinc/59/02/49/590590249.db2.gz YMZULNTUHJPFGK-OKILXGFUSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CC[C@H](C)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000879320214 590740215 /nfs/dbraw/zinc/74/02/15/590740215.db2.gz DPWBIFKQQQMUKW-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@H](C)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000879320214 590740221 /nfs/dbraw/zinc/74/02/21/590740221.db2.gz DPWBIFKQQQMUKW-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000879320214 590740224 /nfs/dbraw/zinc/74/02/24/590740224.db2.gz DPWBIFKQQQMUKW-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCOC3)CC[C@H]21 ZINC000879571115 590808823 /nfs/dbraw/zinc/80/88/23/590808823.db2.gz MVMOVNUYWPNKKB-JHJVBQTASA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCOC3)CC[C@H]21 ZINC000879571115 590808825 /nfs/dbraw/zinc/80/88/25/590808825.db2.gz MVMOVNUYWPNKKB-JHJVBQTASA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@H]21 ZINC000879571115 590808829 /nfs/dbraw/zinc/80/88/29/590808829.db2.gz MVMOVNUYWPNKKB-JHJVBQTASA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@H]21 ZINC000879571115 590808831 /nfs/dbraw/zinc/80/88/31/590808831.db2.gz MVMOVNUYWPNKKB-JHJVBQTASA-N 2 1 224.348 1.049 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573012 590810260 /nfs/dbraw/zinc/81/02/60/590810260.db2.gz KTEDLQDLAWLCOS-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573012 590810264 /nfs/dbraw/zinc/81/02/64/590810264.db2.gz KTEDLQDLAWLCOS-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573012 590810268 /nfs/dbraw/zinc/81/02/68/590810268.db2.gz KTEDLQDLAWLCOS-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573012 590810270 /nfs/dbraw/zinc/81/02/70/590810270.db2.gz KTEDLQDLAWLCOS-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000879571121 590810587 /nfs/dbraw/zinc/81/05/87/590810587.db2.gz MVMOVNUYWPNKKB-YNEHKIRRSA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000879571121 590810590 /nfs/dbraw/zinc/81/05/90/590810590.db2.gz MVMOVNUYWPNKKB-YNEHKIRRSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000879571121 590810593 /nfs/dbraw/zinc/81/05/93/590810593.db2.gz MVMOVNUYWPNKKB-YNEHKIRRSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000879571121 590810598 /nfs/dbraw/zinc/81/05/98/590810598.db2.gz MVMOVNUYWPNKKB-YNEHKIRRSA-N 2 1 224.348 1.049 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570548 590811606 /nfs/dbraw/zinc/81/16/06/590811606.db2.gz GXDKWLRZCABSFK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570548 590811610 /nfs/dbraw/zinc/81/16/10/590811610.db2.gz GXDKWLRZCABSFK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570548 590811613 /nfs/dbraw/zinc/81/16/13/590811613.db2.gz GXDKWLRZCABSFK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570548 590811616 /nfs/dbraw/zinc/81/16/16/590811616.db2.gz GXDKWLRZCABSFK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578009 590815163 /nfs/dbraw/zinc/81/51/63/590815163.db2.gz AEAJIKGZVMSZOL-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578009 590815168 /nfs/dbraw/zinc/81/51/68/590815168.db2.gz AEAJIKGZVMSZOL-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578009 590815172 /nfs/dbraw/zinc/81/51/72/590815172.db2.gz AEAJIKGZVMSZOL-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879579489 590816480 /nfs/dbraw/zinc/81/64/80/590816480.db2.gz MQQDZMBFEOIGNO-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879579489 590816484 /nfs/dbraw/zinc/81/64/84/590816484.db2.gz MQQDZMBFEOIGNO-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000879579489 590816488 /nfs/dbraw/zinc/81/64/88/590816488.db2.gz MQQDZMBFEOIGNO-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000879579489 590816490 /nfs/dbraw/zinc/81/64/90/590816490.db2.gz MQQDZMBFEOIGNO-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580046 590817774 /nfs/dbraw/zinc/81/77/74/590817774.db2.gz DPYYZRVZYVEYIW-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580046 590817776 /nfs/dbraw/zinc/81/77/76/590817776.db2.gz DPYYZRVZYVEYIW-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580046 590817780 /nfs/dbraw/zinc/81/77/80/590817780.db2.gz DPYYZRVZYVEYIW-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580046 590817782 /nfs/dbraw/zinc/81/77/82/590817782.db2.gz DPYYZRVZYVEYIW-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879581295 590822587 /nfs/dbraw/zinc/82/25/87/590822587.db2.gz XULYMWANUNYLQU-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000879581295 590822589 /nfs/dbraw/zinc/82/25/89/590822589.db2.gz XULYMWANUNYLQU-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000879581295 590822591 /nfs/dbraw/zinc/82/25/91/590822591.db2.gz XULYMWANUNYLQU-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP COC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259712 590980264 /nfs/dbraw/zinc/98/02/64/590980264.db2.gz ZNZWPALFQOLHSA-STQMWFEESA-N 2 1 249.358 1.627 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CF)C1 ZINC000880297429 590991795 /nfs/dbraw/zinc/99/17/95/590991795.db2.gz NXHNFRNAZPDKLE-LBPRGKRZSA-N 2 1 225.311 1.873 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CF)C1 ZINC000880297429 590991797 /nfs/dbraw/zinc/99/17/97/590991797.db2.gz NXHNFRNAZPDKLE-LBPRGKRZSA-N 2 1 225.311 1.873 20 0 BDADMP Cc1cc(C)c(Cn2cc([C@H](C)[NH3+])nn2)c(C)[nH+]1 ZINC000881388411 591199144 /nfs/dbraw/zinc/19/91/44/591199144.db2.gz MOQPXRSQEAKYFY-JTQLQIEISA-N 2 1 245.330 1.666 20 0 BDADMP N[C@@H](C[NH2+]Cc1cncs1)c1ccccc1 ZINC000131591509 591624853 /nfs/dbraw/zinc/62/48/53/591624853.db2.gz ZTVKKPSFGBZZGO-LBPRGKRZSA-N 2 1 233.340 1.933 20 0 BDADMP CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000883441941 591669392 /nfs/dbraw/zinc/66/93/92/591669392.db2.gz ASMAGEYKGGXDTN-RYUDHWBXSA-N 2 1 227.396 1.611 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H](OC)C1CCC1 ZINC000883450324 591670682 /nfs/dbraw/zinc/67/06/82/591670682.db2.gz JRQGTAODZRTHDO-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H](OC)C1CCC1 ZINC000883450324 591670685 /nfs/dbraw/zinc/67/06/85/591670685.db2.gz JRQGTAODZRTHDO-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CCCNc1cc(NC[C@@H](C)[NH+](C)C)nc[nH+]1 ZINC000132221468 591694226 /nfs/dbraw/zinc/69/42/26/591694226.db2.gz CNTMXGGXOSSRHC-SNVBAGLBSA-N 2 1 237.351 1.661 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CC2CC2)cc[nH+]1 ZINC000884229861 591876712 /nfs/dbraw/zinc/87/67/12/591876712.db2.gz CEVMXLBNDHJTDT-NSHDSACASA-N 2 1 248.330 1.214 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000134519301 591932777 /nfs/dbraw/zinc/93/27/77/591932777.db2.gz VZVVDRVDMLOKCX-UHFFFAOYSA-N 2 1 232.331 1.604 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215880 592178058 /nfs/dbraw/zinc/17/80/58/592178058.db2.gz SLNMWNNUTQRBOH-NEPJUHHUSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215880 592178063 /nfs/dbraw/zinc/17/80/63/592178063.db2.gz SLNMWNNUTQRBOH-NEPJUHHUSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215880 592178065 /nfs/dbraw/zinc/17/80/65/592178065.db2.gz SLNMWNNUTQRBOH-NEPJUHHUSA-N 2 1 248.317 1.030 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@H]1C[C@]12CCOC2)C1CC1 ZINC000886830876 592353314 /nfs/dbraw/zinc/35/33/14/592353314.db2.gz ZEHLHLBPFOUMHE-UPJWGTAASA-N 2 1 224.348 1.130 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000886832171 592353931 /nfs/dbraw/zinc/35/39/31/592353931.db2.gz CFCHUXGCABPSGG-CRWXNKLISA-N 2 1 236.359 1.239 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886838383 592358695 /nfs/dbraw/zinc/35/86/95/592358695.db2.gz WOHIEHLOPGQCNB-MELADBBJSA-N 2 1 238.375 1.474 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@@H]1C[NH3+] ZINC000886840346 592361220 /nfs/dbraw/zinc/36/12/20/592361220.db2.gz ZMGWDPQWFMAMKV-ZOBORPQBSA-N 2 1 238.375 1.330 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000886841608 592363792 /nfs/dbraw/zinc/36/37/92/592363792.db2.gz QSLLRKGFQZFXGI-ZOBORPQBSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000886841608 592363798 /nfs/dbraw/zinc/36/37/98/592363798.db2.gz QSLLRKGFQZFXGI-ZOBORPQBSA-N 2 1 236.359 1.239 20 0 BDADMP [NH3+]CCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886857882 592370240 /nfs/dbraw/zinc/37/02/40/592370240.db2.gz DQASVHJZTGRWOU-UWVGGRQHSA-N 2 1 236.281 2.000 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872177 592373098 /nfs/dbraw/zinc/37/30/98/592373098.db2.gz LNPQUSKKUGENHT-ZDUSSCGKSA-N 3 1 225.380 1.062 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872177 592373102 /nfs/dbraw/zinc/37/31/02/592373102.db2.gz LNPQUSKKUGENHT-ZDUSSCGKSA-N 3 1 225.380 1.062 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCF ZINC000887142660 592459272 /nfs/dbraw/zinc/45/92/72/592459272.db2.gz VCWVKYSNEVOYJG-UHFFFAOYSA-N 2 1 213.300 1.644 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCF ZINC000887142660 592459275 /nfs/dbraw/zinc/45/92/75/592459275.db2.gz VCWVKYSNEVOYJG-UHFFFAOYSA-N 2 1 213.300 1.644 20 0 BDADMP C[N@@H+](CCSC(F)(F)F)C1CC[NH2+]CC1 ZINC000123609941 592714519 /nfs/dbraw/zinc/71/45/19/592714519.db2.gz BGBYKGUNLMXOLQ-UHFFFAOYSA-N 2 1 242.310 1.923 20 0 BDADMP C(CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C[C@@H]1CCC[NH2+]1 ZINC000925704447 634384780 /nfs/dbraw/zinc/38/47/80/634384780.db2.gz GWXVPNWGZKJIND-GXYBRJDSSA-N 2 1 249.402 1.105 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000699710732 987381250 /nfs/dbraw/zinc/38/12/50/987381250.db2.gz MYVNALLCRCGTCN-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925712324 634412469 /nfs/dbraw/zinc/41/24/69/634412469.db2.gz ORHPXEARSJQKKC-IVZWLZJFSA-N 2 1 214.378 1.611 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])C12CCC2 ZINC000925714179 634420607 /nfs/dbraw/zinc/42/06/07/634420607.db2.gz WJEJSTRKPSSMAN-NWDGAFQWSA-N 2 1 225.380 1.365 20 0 BDADMP C([C@H]1CCCOC1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257703287 634473320 /nfs/dbraw/zinc/47/33/20/634473320.db2.gz QPJBEAIFILIOQA-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257703287 634473322 /nfs/dbraw/zinc/47/33/22/634473322.db2.gz QPJBEAIFILIOQA-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000313607588 634498843 /nfs/dbraw/zinc/49/88/43/634498843.db2.gz GVYHZQPEDCRLTQ-RRFJBIMHSA-N 2 1 246.354 1.404 20 0 BDADMP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000313607588 634498849 /nfs/dbraw/zinc/49/88/49/634498849.db2.gz GVYHZQPEDCRLTQ-RRFJBIMHSA-N 2 1 246.354 1.404 20 0 BDADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000310116156 634586996 /nfs/dbraw/zinc/58/69/96/634586996.db2.gz CLEOOBCMOAVANA-AAEUAGOBSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000310116156 634587004 /nfs/dbraw/zinc/58/70/04/634587004.db2.gz CLEOOBCMOAVANA-AAEUAGOBSA-N 2 1 242.407 1.713 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000925858000 635548799 /nfs/dbraw/zinc/54/87/99/635548799.db2.gz NWPZRBXKIRNNGN-WDEREUQCSA-N 2 1 237.347 1.696 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000054133572 635611088 /nfs/dbraw/zinc/61/10/88/635611088.db2.gz LGKZQKFMDIMTRX-UHFFFAOYSA-N 2 1 243.395 1.221 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000076647824 631300679 /nfs/dbraw/zinc/30/06/79/631300679.db2.gz NFABYFNSHKBXJN-ZDUSSCGKSA-N 2 1 219.332 1.295 20 0 BDADMP CCOCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000181003076 631643368 /nfs/dbraw/zinc/64/33/68/631643368.db2.gz JJIAFMGMAYMGSZ-UHFFFAOYSA-N 2 1 214.353 1.441 20 0 BDADMP CCOCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000181003076 631643362 /nfs/dbraw/zinc/64/33/62/631643362.db2.gz JJIAFMGMAYMGSZ-UHFFFAOYSA-N 2 1 214.353 1.441 20 0 BDADMP C[C@H]1C[C@H](NCCC(C)(C)[NH3+])CC[N@H+]1C ZINC000308969610 631774729 /nfs/dbraw/zinc/77/47/29/631774729.db2.gz ONGUOWSKSYNQKV-WDEREUQCSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000308969610 631774732 /nfs/dbraw/zinc/77/47/32/631774732.db2.gz ONGUOWSKSYNQKV-WDEREUQCSA-N 3 1 213.369 1.186 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CC[N@H+]1C ZINC000308969610 631774739 /nfs/dbraw/zinc/77/47/39/631774739.db2.gz ONGUOWSKSYNQKV-WDEREUQCSA-N 3 1 213.369 1.186 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn[nH]c1 ZINC000309028089 631809992 /nfs/dbraw/zinc/80/99/92/631809992.db2.gz BYCYCZVMVCWSRN-UHFFFAOYSA-N 2 1 210.325 1.087 20 0 BDADMP CCCC[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000309060184 631835243 /nfs/dbraw/zinc/83/52/43/631835243.db2.gz XMKYKRNPPYSMSO-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CCCC[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000309060184 631835244 /nfs/dbraw/zinc/83/52/44/631835244.db2.gz XMKYKRNPPYSMSO-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000075072494 632030992 /nfs/dbraw/zinc/03/09/92/632030992.db2.gz WKKUCAIRMOFXNO-GFCCVEGCSA-N 2 1 234.343 1.866 20 0 BDADMP C[C@@H](CNC(=[NH2+])NC1CCCCC1)[NH+](C)C ZINC000052047748 632055783 /nfs/dbraw/zinc/05/57/83/632055783.db2.gz UEJVUCPUCUIJDI-JTQLQIEISA-N 2 1 226.368 1.383 20 0 BDADMP Cc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000052207223 632103794 /nfs/dbraw/zinc/10/37/94/632103794.db2.gz VHMRGZDFRFTKRX-SNVBAGLBSA-N 2 1 249.362 1.511 20 0 BDADMP O[C@@H](CC1CCCC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232148656 632128005 /nfs/dbraw/zinc/12/80/05/632128005.db2.gz XGNGCFXZDFTOEX-MJBXVCDLSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000229084073 632519386 /nfs/dbraw/zinc/51/93/86/632519386.db2.gz OQJWCQZFKBXCLG-VHDGCEQUSA-N 2 1 248.370 1.637 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CO[C@H]1C ZINC000926559061 632531508 /nfs/dbraw/zinc/53/15/08/632531508.db2.gz LSFHVVUYDZESQS-OBJOEFQTSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000219759450 632567147 /nfs/dbraw/zinc/56/71/47/632567147.db2.gz LSVQNWKYCGEZLV-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000219759450 632567154 /nfs/dbraw/zinc/56/71/54/632567154.db2.gz LSVQNWKYCGEZLV-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC000235310340 632656378 /nfs/dbraw/zinc/65/63/78/632656378.db2.gz OYNMLFHPFOQNSP-OTIHIVFHSA-N 2 1 202.729 1.811 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CC[N@H+]1C ZINC000235310340 632656380 /nfs/dbraw/zinc/65/63/80/632656380.db2.gz OYNMLFHPFOQNSP-OTIHIVFHSA-N 2 1 202.729 1.811 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235368703 632680623 /nfs/dbraw/zinc/68/06/23/632680623.db2.gz QPXMERORNCXHHA-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCCCO)C2)C1 ZINC000310532026 632756733 /nfs/dbraw/zinc/75/67/33/632756733.db2.gz QCKDJTVQSHDEFX-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CC(C)(C)C1 ZINC000080200308 633029053 /nfs/dbraw/zinc/02/90/53/633029053.db2.gz GOBPLNCMYZWZTJ-AVGNSLFASA-N 2 1 242.407 1.713 20 0 BDADMP CCN1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000894408315 635893253 /nfs/dbraw/zinc/89/32/53/635893253.db2.gz ZLURXMFOGCORBU-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+]1CCN(CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000894408315 635893256 /nfs/dbraw/zinc/89/32/56/635893256.db2.gz ZLURXMFOGCORBU-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CCN(CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000894408315 635893260 /nfs/dbraw/zinc/89/32/60/635893260.db2.gz ZLURXMFOGCORBU-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000311725598 633158922 /nfs/dbraw/zinc/15/89/22/633158922.db2.gz ZSHFMQAJJXDZBY-SNVBAGLBSA-N 2 1 209.293 1.072 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000311725598 633158929 /nfs/dbraw/zinc/15/89/29/633158929.db2.gz ZSHFMQAJJXDZBY-SNVBAGLBSA-N 2 1 209.293 1.072 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)CCn1cccn1 ZINC000090694003 636040079 /nfs/dbraw/zinc/04/00/79/636040079.db2.gz PXPNDCIUPKDXOM-UHFFFAOYSA-N 2 1 236.363 1.205 20 0 BDADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000309734895 633997381 /nfs/dbraw/zinc/99/73/81/633997381.db2.gz CCWDOYQQCUEEGB-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000309734895 633997386 /nfs/dbraw/zinc/99/73/86/633997386.db2.gz CCWDOYQQCUEEGB-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)(CO)CCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925128420 636151210 /nfs/dbraw/zinc/15/12/10/636151210.db2.gz FEUAXWKBSKCCGR-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)(CO)CCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925128420 636151214 /nfs/dbraw/zinc/15/12/14/636151214.db2.gz FEUAXWKBSKCCGR-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000925555169 634022343 /nfs/dbraw/zinc/02/23/43/634022343.db2.gz FRPPXAHRGHPNDL-MGPQQGTHSA-N 2 1 249.402 1.330 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982832 634024461 /nfs/dbraw/zinc/02/44/61/634024461.db2.gz ADCSSJBCUMGZCA-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCSC1 ZINC000925572310 634069839 /nfs/dbraw/zinc/06/98/39/634069839.db2.gz IBOAKFBFOXGNPV-DTWKUNHWSA-N 2 1 200.351 1.222 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCn2ccnc21 ZINC000925607705 634139636 /nfs/dbraw/zinc/13/96/36/634139636.db2.gz REHNNFAESUAVAJ-VXGBXAGGSA-N 2 1 248.374 1.491 20 0 BDADMP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925610121 634145852 /nfs/dbraw/zinc/14/58/52/634145852.db2.gz YXCTZQQYBSDNLT-NEPJUHHUSA-N 2 1 224.348 1.022 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccco1 ZINC000925609322 634146610 /nfs/dbraw/zinc/14/66/10/634146610.db2.gz AAIXWTUCRKDKIZ-LLVKDONJSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000931037456 634190138 /nfs/dbraw/zinc/19/01/38/634190138.db2.gz DIAWRZZVOHFLLD-RDBSUJKOSA-N 2 1 239.407 1.495 20 0 BDADMP C1=CO[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925644003 634196033 /nfs/dbraw/zinc/19/60/33/634196033.db2.gz LKEDADVJWTXYEH-VXGBXAGGSA-N 2 1 222.332 1.553 20 0 BDADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925643365 634196228 /nfs/dbraw/zinc/19/62/28/634196228.db2.gz IIPSYHKMYVMETR-SDDRHHMPSA-N 2 1 224.348 1.164 20 0 BDADMP OC1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925664650 634238081 /nfs/dbraw/zinc/23/80/81/634238081.db2.gz FYAURZYATYCLPM-NSHDSACASA-N 2 1 224.348 1.166 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[NH2+][C@H]1C ZINC000925676486 634264965 /nfs/dbraw/zinc/26/49/65/634264965.db2.gz MQERRNAVSQKQCI-HZSPNIEDSA-N 2 1 241.423 1.837 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCOC1 ZINC000925678031 634271863 /nfs/dbraw/zinc/27/18/63/634271863.db2.gz BRTAYHICHYHHDR-CYBMUJFWSA-N 2 1 236.359 1.597 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925683864 634290725 /nfs/dbraw/zinc/29/07/25/634290725.db2.gz XGRPTKYHYVBPIB-LITXJTQSSA-N 2 1 236.359 1.140 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925687032 634302235 /nfs/dbraw/zinc/30/22/35/634302235.db2.gz YRKDMBZSWQHEGO-ISCIKXKRSA-N 2 1 236.359 1.140 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925687764 634303737 /nfs/dbraw/zinc/30/37/37/634303737.db2.gz AVYINTQJRMJZIS-ZIAGYGMSSA-N 3 1 239.407 1.354 20 0 BDADMP CC1(C)C[C@@H](N[C@H]2CCC[C@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC000925690780 634314859 /nfs/dbraw/zinc/31/48/59/634314859.db2.gz HDXQCYJJLXPRBP-RNJOBUHISA-N 2 1 239.407 1.609 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925691788 634319060 /nfs/dbraw/zinc/31/90/60/634319060.db2.gz JUSYVQYMORMTOC-UBHSHLNASA-N 3 1 239.407 1.482 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000925698188 634362896 /nfs/dbraw/zinc/36/28/96/634362896.db2.gz JJUFPDBWUHLAKX-QJPTWQEYSA-N 3 1 225.380 1.092 20 0 BDADMP CC1(CN[C@H]2CC[NH2+]C23CCC3)CC[NH2+]CC1 ZINC000925699372 634366383 /nfs/dbraw/zinc/36/63/83/634366383.db2.gz OIEUXDWUDCEXAI-LBPRGKRZSA-N 2 1 237.391 1.250 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925700331 634369239 /nfs/dbraw/zinc/36/92/39/634369239.db2.gz RURFPPLQABIQKQ-VXGBXAGGSA-N 3 1 225.380 1.106 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H](NCC(F)(F)C[NH3+])C1 ZINC000925700874 634372157 /nfs/dbraw/zinc/37/21/57/634372157.db2.gz XCTUDMVSQOCTQT-RKDXNWHRSA-N 2 1 235.322 1.076 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925772899 635216871 /nfs/dbraw/zinc/21/68/71/635216871.db2.gz LEQLUUZFYDNRHQ-YNEHKIRRSA-N 2 1 238.375 1.676 20 0 BDADMP Cn1cncc1CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000314834883 635237871 /nfs/dbraw/zinc/23/78/71/635237871.db2.gz GFQQFWATTOECCY-GFCCVEGCSA-N 2 1 236.363 1.023 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@H]1CCC[NH2+]1 ZINC000925775072 635243066 /nfs/dbraw/zinc/24/30/66/635243066.db2.gz ZWFRGLBXGHTYLS-YNEHKIRRSA-N 2 1 238.375 1.676 20 0 BDADMP CCC1(CC)[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1OC ZINC000925780875 635272980 /nfs/dbraw/zinc/27/29/80/635272980.db2.gz BSVYUAGILODHHT-NDBYEHHHSA-N 2 1 240.391 1.778 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000925786235 635305240 /nfs/dbraw/zinc/30/52/40/635305240.db2.gz SOWHBEQVIYKJBJ-RTXFEEFZSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000925802388 635351026 /nfs/dbraw/zinc/35/10/26/635351026.db2.gz FXFNFBJIKWXEIZ-NQBHXWOUSA-N 2 1 248.374 1.622 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000925873961 635595407 /nfs/dbraw/zinc/59/54/07/635595407.db2.gz OKYBTVZFEWIZFO-RWMBFGLXSA-N 2 1 228.380 1.493 20 0 BDADMP CC[C@@]1(C)C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000893907496 635638736 /nfs/dbraw/zinc/63/87/36/635638736.db2.gz MEBOZTXINYRFND-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054242796 636240332 /nfs/dbraw/zinc/24/03/32/636240332.db2.gz CYEHGKGZCKPKMN-AWEZNQCLSA-N 3 1 239.407 1.260 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925145730 636298105 /nfs/dbraw/zinc/29/81/05/636298105.db2.gz YLAZZBLNTNRDKJ-MEBFFEOJSA-N 2 1 240.391 1.730 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925145730 636298112 /nfs/dbraw/zinc/29/81/12/636298112.db2.gz YLAZZBLNTNRDKJ-MEBFFEOJSA-N 2 1 240.391 1.730 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000925204675 636382375 /nfs/dbraw/zinc/38/23/75/636382375.db2.gz NGKWPFKYYDDKDN-STQMWFEESA-N 2 1 242.407 1.979 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000925204675 636382379 /nfs/dbraw/zinc/38/23/79/636382379.db2.gz NGKWPFKYYDDKDN-STQMWFEESA-N 2 1 242.407 1.979 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCS1 ZINC000925258485 636544375 /nfs/dbraw/zinc/54/43/75/636544375.db2.gz PAEKVTZRPKBZHM-FXJUQPSGSA-N 2 1 240.416 1.812 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864455907 636761425 /nfs/dbraw/zinc/76/14/25/636761425.db2.gz ATNBRVGVCDYDNS-DCAQKATOSA-N 2 1 226.368 1.239 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(CCO)C2)[C@@H](C)C1 ZINC000898010410 636851645 /nfs/dbraw/zinc/85/16/45/636851645.db2.gz GDESALSWIMXMDM-GFJIZPEISA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CCCCCC[NH3+])CC[C@H]21 ZINC000866703054 636930780 /nfs/dbraw/zinc/93/07/80/636930780.db2.gz FBQJBXSEHSRPOW-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCC[NH3+])CC[C@H]21 ZINC000866703054 636930786 /nfs/dbraw/zinc/93/07/86/636930786.db2.gz FBQJBXSEHSRPOW-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCC[NH3+])CC[C@H]21 ZINC000866703054 636930789 /nfs/dbraw/zinc/93/07/89/636930789.db2.gz FBQJBXSEHSRPOW-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCC[NH3+])CC[C@H]21 ZINC000866703054 636930794 /nfs/dbraw/zinc/93/07/94/636930794.db2.gz FBQJBXSEHSRPOW-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCC[NH3+])CC[C@H]21 ZINC000866703054 636930798 /nfs/dbraw/zinc/93/07/98/636930798.db2.gz FBQJBXSEHSRPOW-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CCC1(C)C)C[NH+](C)C ZINC000926957379 636970870 /nfs/dbraw/zinc/97/08/70/636970870.db2.gz APDPOYRICRZSQE-RYUDHWBXSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)C(C)(C)OC)C[NH+](C)C ZINC000926957430 636971078 /nfs/dbraw/zinc/97/10/78/636971078.db2.gz BNGFUXKDRJKAQD-VXGBXAGGSA-N 2 1 246.395 1.356 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CCCCO1 ZINC000054602362 637036225 /nfs/dbraw/zinc/03/62/25/637036225.db2.gz DPKIPJBIFBQZDN-WTUNAVPPSA-N 2 1 238.375 1.900 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000042465461 637269209 /nfs/dbraw/zinc/26/92/09/637269209.db2.gz RXNKNADQUWVGKE-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000042465461 637269219 /nfs/dbraw/zinc/26/92/19/637269219.db2.gz RXNKNADQUWVGKE-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)C[C@H]1CCCO1 ZINC000042465463 637269419 /nfs/dbraw/zinc/26/94/19/637269419.db2.gz RXNKNADQUWVGKE-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@H]1CCCO1 ZINC000042465463 637269425 /nfs/dbraw/zinc/26/94/25/637269425.db2.gz RXNKNADQUWVGKE-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP COC1CCC([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903437954 637361706 /nfs/dbraw/zinc/36/17/06/637361706.db2.gz OYKVNXKMFRGEAH-KBHBFKLGSA-N 2 1 240.391 1.731 20 0 BDADMP CCCC[N@@H+](CCOC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903438426 637363177 /nfs/dbraw/zinc/36/31/77/637363177.db2.gz VJLQZKYWAGNEJS-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000903564489 637367562 /nfs/dbraw/zinc/36/75/62/637367562.db2.gz XEWOWIFZYBGJTJ-GFCCVEGCSA-N 2 1 236.363 1.209 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000903564489 637367566 /nfs/dbraw/zinc/36/75/66/637367566.db2.gz XEWOWIFZYBGJTJ-GFCCVEGCSA-N 2 1 236.363 1.209 20 0 BDADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000903565240 637372139 /nfs/dbraw/zinc/37/21/39/637372139.db2.gz HLHPMLLOZBWZGM-LBPRGKRZSA-N 2 1 244.379 1.241 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C3CC3)no1)C2 ZINC000903841892 637385086 /nfs/dbraw/zinc/38/50/86/637385086.db2.gz HUVJWBQURGXAAR-DLOVCJGASA-N 2 1 247.342 1.864 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(C3CC3)no1)C2 ZINC000903841892 637385094 /nfs/dbraw/zinc/38/50/94/637385094.db2.gz HUVJWBQURGXAAR-DLOVCJGASA-N 2 1 247.342 1.864 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904460889 637420686 /nfs/dbraw/zinc/42/06/86/637420686.db2.gz BHDNKUMXWYLZHY-WVMKXHBISA-N 2 1 237.391 1.105 20 0 BDADMP CCNCc1noc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000904495795 637424045 /nfs/dbraw/zinc/42/40/45/637424045.db2.gz XMDVWBONCAJMLM-SNVBAGLBSA-N 2 1 238.335 1.724 20 0 BDADMP CCNCc1noc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000904495795 637424047 /nfs/dbraw/zinc/42/40/47/637424047.db2.gz XMDVWBONCAJMLM-SNVBAGLBSA-N 2 1 238.335 1.724 20 0 BDADMP C[N@@H+](Cc1cn(CCCC[NH3+])nn1)C(C)(C)C ZINC000905056511 637589816 /nfs/dbraw/zinc/58/98/16/637589816.db2.gz CIRXRCKYDTUOLW-UHFFFAOYSA-N 2 1 239.367 1.247 20 0 BDADMP [NH3+]CCCCCCc1nc(C2([NH3+])CC2)no1 ZINC000905318229 637744198 /nfs/dbraw/zinc/74/41/98/637744198.db2.gz NVJOHXODDCODCC-UHFFFAOYSA-N 2 1 224.308 1.079 20 0 BDADMP [NH3+]C1(c2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)CC1 ZINC000905327712 637758981 /nfs/dbraw/zinc/75/89/81/637758981.db2.gz RDKNQYRAUJYBEU-DTWKUNHWSA-N 2 1 234.303 1.221 20 0 BDADMP Cc1cccc([C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000905916108 637972062 /nfs/dbraw/zinc/97/20/62/637972062.db2.gz XXJMZJKIVWSFFL-ZNMIVQPWSA-N 2 1 246.354 1.180 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000906508292 638179388 /nfs/dbraw/zinc/17/93/88/638179388.db2.gz LINSSNYRAPNLPV-HAQNSBGRSA-N 2 1 248.326 1.427 20 0 BDADMP CC(C)n1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 ZINC000906508018 638180084 /nfs/dbraw/zinc/18/00/84/638180084.db2.gz HKEYXEZKINPKDS-XYPYZODXSA-N 2 1 208.309 1.043 20 0 BDADMP CCOc1cccc(C[NH2+]C2CC([NH3+])C2)n1 ZINC000906509563 638180946 /nfs/dbraw/zinc/18/09/46/638180946.db2.gz JODQPFMQFQCQLM-UHFFFAOYSA-N 2 1 221.304 1.060 20 0 BDADMP CC(=O)Nc1ccccc1C[NH2+]C1CC([NH3+])C1 ZINC000906509541 638181408 /nfs/dbraw/zinc/18/14/08/638181408.db2.gz IKBDKTNBFWQEAV-UHFFFAOYSA-N 2 1 233.315 1.224 20 0 BDADMP Cc1cccc2ncc(C[NH2+][C@H]3C[C@H]([NH3+])C3)n21 ZINC000906508607 638181628 /nfs/dbraw/zinc/18/16/28/638181628.db2.gz ROSLGRYAGDISLG-XYPYZODXSA-N 2 1 230.315 1.222 20 0 BDADMP COc1cccc(C[NH2+]C2CC([NH3+])C2)c1F ZINC000906510445 638184517 /nfs/dbraw/zinc/18/45/17/638184517.db2.gz ITMKGPQPLUEMMC-UHFFFAOYSA-N 2 1 224.279 1.414 20 0 BDADMP CC[N@@H+](CCC[NH3+])CCc1ccccn1 ZINC000037662351 711467234 /nfs/dbraw/zinc/46/72/34/711467234.db2.gz CTEPZPRRQBNHSM-UHFFFAOYSA-N 2 1 207.321 1.295 20 0 BDADMP C[C@@H](C1CC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904785 639980250 /nfs/dbraw/zinc/98/02/50/639980250.db2.gz VZUOLPCKWQLTRC-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H](C1CC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904785 639980256 /nfs/dbraw/zinc/98/02/56/639980256.db2.gz VZUOLPCKWQLTRC-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](C1CC1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931066263 640052408 /nfs/dbraw/zinc/05/24/08/640052408.db2.gz HRZIVFZWHHXMNQ-BXUZGUMPSA-N 2 1 238.375 1.316 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276859 640123767 /nfs/dbraw/zinc/12/37/67/640123767.db2.gz JYZAACOSGIEGJP-FHUSYTEZSA-N 2 1 208.349 1.524 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276859 640123772 /nfs/dbraw/zinc/12/37/72/640123772.db2.gz JYZAACOSGIEGJP-FHUSYTEZSA-N 2 1 208.349 1.524 20 0 BDADMP Cc1ncc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cn1 ZINC000931438235 640203465 /nfs/dbraw/zinc/20/34/65/640203465.db2.gz PMAZZXTYQPKROJ-KGLIPLIRSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1ncc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cn1 ZINC000931438235 640203467 /nfs/dbraw/zinc/20/34/67/640203467.db2.gz PMAZZXTYQPKROJ-KGLIPLIRSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931438235 640203470 /nfs/dbraw/zinc/20/34/70/640203470.db2.gz PMAZZXTYQPKROJ-KGLIPLIRSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931438235 640203474 /nfs/dbraw/zinc/20/34/74/640203474.db2.gz PMAZZXTYQPKROJ-KGLIPLIRSA-N 2 1 246.358 1.169 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433250 640203907 /nfs/dbraw/zinc/20/39/07/640203907.db2.gz UXKRWXZVKUEGNE-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CCCCOCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433250 640203910 /nfs/dbraw/zinc/20/39/10/640203910.db2.gz UXKRWXZVKUEGNE-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CCCCOCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433250 640203916 /nfs/dbraw/zinc/20/39/16/640203916.db2.gz UXKRWXZVKUEGNE-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442268 640205553 /nfs/dbraw/zinc/20/55/53/640205553.db2.gz ADCFASXXTZEDHQ-ZOBORPQBSA-N 2 1 222.376 1.916 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442268 640205556 /nfs/dbraw/zinc/20/55/56/640205556.db2.gz ADCFASXXTZEDHQ-ZOBORPQBSA-N 2 1 222.376 1.916 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442268 640205559 /nfs/dbraw/zinc/20/55/59/640205559.db2.gz ADCFASXXTZEDHQ-ZOBORPQBSA-N 2 1 222.376 1.916 20 0 BDADMP COC/C(C)=C/CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931547801 640268255 /nfs/dbraw/zinc/26/82/55/640268255.db2.gz SXSUORBFYONINC-QSTROWBPSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000932346145 640489061 /nfs/dbraw/zinc/48/90/61/640489061.db2.gz FUKJKCGCHIXKHW-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000932346145 640489066 /nfs/dbraw/zinc/48/90/66/640489066.db2.gz FUKJKCGCHIXKHW-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000932346145 640489069 /nfs/dbraw/zinc/48/90/69/640489069.db2.gz FUKJKCGCHIXKHW-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H](C[NH2+]Cc1cccnc1)C[NH+]1CCCC1 ZINC000057994218 640658448 /nfs/dbraw/zinc/65/84/48/640658448.db2.gz CHEVWEJYBHYRRP-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP Cn1cc(CC[N@@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000226429195 640764191 /nfs/dbraw/zinc/76/41/91/640764191.db2.gz BWCZSNJLSKXLCL-UHFFFAOYSA-N 2 1 236.363 1.164 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226540792 640773412 /nfs/dbraw/zinc/77/34/12/640773412.db2.gz KXTHJEVRMWPTET-RYUDHWBXSA-N 2 1 214.353 1.208 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000228018325 640855072 /nfs/dbraw/zinc/85/50/72/640855072.db2.gz KJQXOSLTMYKIMT-WUHRBBMRSA-N 2 1 208.349 1.846 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000229059864 640919907 /nfs/dbraw/zinc/91/99/07/640919907.db2.gz MHWZGAXTMRKIOR-STQMWFEESA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cccc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)[nH+]1 ZINC000229097696 640922843 /nfs/dbraw/zinc/92/28/43/640922843.db2.gz HMHUDNFWRXIFDR-PWSUYJOCSA-N 2 1 219.332 1.811 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCCO1 ZINC000061934512 641008586 /nfs/dbraw/zinc/00/85/86/641008586.db2.gz NOYXKENRIFNVCB-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)[C@H]1CC[C@H]1OC ZINC000934114094 641081387 /nfs/dbraw/zinc/08/13/87/641081387.db2.gz QIFPOBNAALDLAN-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000934114094 641081389 /nfs/dbraw/zinc/08/13/89/641081389.db2.gz QIFPOBNAALDLAN-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000934119608 641084136 /nfs/dbraw/zinc/08/41/36/641084136.db2.gz XSUPHLNALRFLKJ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCOCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000087979753 641205998 /nfs/dbraw/zinc/20/59/98/641205998.db2.gz BCDNUHRKCWWQOE-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP C([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1CCCOC1 ZINC000232450129 641273105 /nfs/dbraw/zinc/27/31/05/641273105.db2.gz PFCIOJIGUTVZLG-NEPJUHHUSA-N 2 1 212.337 1.145 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCCCC[NH3+] ZINC000155641177 641575615 /nfs/dbraw/zinc/57/56/15/641575615.db2.gz GDONFELUKKAKGZ-GFCCVEGCSA-N 2 1 243.395 1.352 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000156072385 641592963 /nfs/dbraw/zinc/59/29/63/641592963.db2.gz NDOBZSKSSZZGDP-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC000914436358 641704913 /nfs/dbraw/zinc/70/49/13/641704913.db2.gz TXYNQEJQMLHREU-STQMWFEESA-N 2 1 224.348 1.095 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000075150851 641746202 /nfs/dbraw/zinc/74/62/02/641746202.db2.gz ASAPAGRLRBCUNK-LLVKDONJSA-N 2 1 222.307 1.996 20 0 BDADMP Cc1[nH+]ccn1CCCNc1cc(C)[nH+]c(N)n1 ZINC000032560971 641854148 /nfs/dbraw/zinc/85/41/48/641854148.db2.gz XNLJWKYJKPHKSE-UHFFFAOYSA-N 2 1 246.318 1.374 20 0 BDADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCOC1 ZINC000124012339 642428038 /nfs/dbraw/zinc/42/80/38/642428038.db2.gz UKAGUQOKVALELL-CQSZACIVSA-N 2 1 246.354 1.553 20 0 BDADMP C[C@H]1C[NH+](CCC[NH2+]C2CC2)C[C@H](C)S1 ZINC000069909094 642932343 /nfs/dbraw/zinc/93/23/43/642932343.db2.gz NIIIGSBFCMBYNK-QWRGUYRKSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1CCOCC1 ZINC000082560969 643343514 /nfs/dbraw/zinc/34/35/14/643343514.db2.gz LBYDRGZDIBPBGP-YPMHNXCESA-N 2 1 226.364 1.200 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843387043 643362766 /nfs/dbraw/zinc/36/27/66/643362766.db2.gz OAJCNBXGBAPRDE-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843387043 643362769 /nfs/dbraw/zinc/36/27/69/643362769.db2.gz OAJCNBXGBAPRDE-KGLIPLIRSA-N 2 1 239.407 1.579 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1nccs1 ZINC000082773487 643378764 /nfs/dbraw/zinc/37/87/64/643378764.db2.gz GKLBZZYRSDCGHA-MRVPVSSYSA-N 2 1 213.350 1.921 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH3+])C12CCCCC2 ZINC000083532412 643584191 /nfs/dbraw/zinc/58/41/91/643584191.db2.gz LGBVAXGNERNNQC-VXGBXAGGSA-N 2 1 226.364 1.663 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000084220874 643649944 /nfs/dbraw/zinc/64/99/44/643649944.db2.gz ZOOOPSILCRNBDZ-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP C[N@@H+](Cc1nccs1)C1CCC([NH3+])CC1 ZINC000087393830 643656380 /nfs/dbraw/zinc/65/63/80/643656380.db2.gz KISRICRBFFFSEJ-UHFFFAOYSA-N 2 1 225.361 1.845 20 0 BDADMP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050248026 643664628 /nfs/dbraw/zinc/66/46/28/643664628.db2.gz JYKLUUVKOKPREA-GFCCVEGCSA-N 2 1 248.326 1.254 20 0 BDADMP COC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050248026 643664633 /nfs/dbraw/zinc/66/46/33/643664633.db2.gz JYKLUUVKOKPREA-GFCCVEGCSA-N 2 1 248.326 1.254 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=[NH2+])NC1CCCC1 ZINC000054108810 643666208 /nfs/dbraw/zinc/66/62/08/643666208.db2.gz WXMGNGSMDNLBIN-UHFFFAOYSA-N 2 1 226.368 1.383 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269472 643673007 /nfs/dbraw/zinc/67/30/07/643673007.db2.gz NPFLSUMEJCTTDD-KBPBESRZSA-N 2 1 238.375 1.999 20 0 BDADMP C[N@@H+](Cc1ccno1)C1CCC([NH3+])CC1 ZINC000085870102 643824592 /nfs/dbraw/zinc/82/45/92/643824592.db2.gz ADJUXUQPALCLEY-UHFFFAOYSA-N 2 1 209.293 1.376 20 0 BDADMP CCC[C@@H](C)C[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000922757878 644087506 /nfs/dbraw/zinc/08/75/06/644087506.db2.gz MZLTWNOMLDVAFQ-OLZOCXBDSA-N 2 1 230.396 1.979 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)C[NH+](C)C ZINC000922754911 644087569 /nfs/dbraw/zinc/08/75/69/644087569.db2.gz VFRHMISFDZNJDM-WUHRBBMRSA-N 2 1 244.379 1.109 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCSCC1 ZINC000925364454 644155144 /nfs/dbraw/zinc/15/51/44/644155144.db2.gz TVATXOIDUORHBK-QYJAPNMZSA-N 2 1 240.416 1.812 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000923280549 644315150 /nfs/dbraw/zinc/31/51/50/644315150.db2.gz BOMXGPHNQKFSLG-KBPBESRZSA-N 2 1 242.407 1.715 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000923285118 644317179 /nfs/dbraw/zinc/31/71/79/644317179.db2.gz ABHPJBUVBLSZQT-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923288868 644324721 /nfs/dbraw/zinc/32/47/21/644324721.db2.gz CYMMCAVXNZSWRO-GJZGRUSLSA-N 2 1 248.370 1.131 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299956 644325644 /nfs/dbraw/zinc/32/56/44/644325644.db2.gz KDELNESDAJMFBM-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923291127 644325722 /nfs/dbraw/zinc/32/57/22/644325722.db2.gz BDQXTBUKHIJARQ-GJZGRUSLSA-N 2 1 248.370 1.403 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923291127 644325728 /nfs/dbraw/zinc/32/57/28/644325728.db2.gz BDQXTBUKHIJARQ-GJZGRUSLSA-N 2 1 248.370 1.403 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923293838 644328165 /nfs/dbraw/zinc/32/81/65/644328165.db2.gz CUERWDDPIZLBIO-RUXDESIVSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923292502 644328882 /nfs/dbraw/zinc/32/88/82/644328882.db2.gz YRLKWGYZASMEJQ-FUDCBSFHSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923292502 644328886 /nfs/dbraw/zinc/32/88/86/644328886.db2.gz YRLKWGYZASMEJQ-FUDCBSFHSA-N 2 1 237.391 1.201 20 0 BDADMP OCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923303918 644341402 /nfs/dbraw/zinc/34/14/02/644341402.db2.gz LZSJPNRFVONLIE-YHWZYXNKSA-N 2 1 238.375 1.364 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315964 644344849 /nfs/dbraw/zinc/34/48/49/644344849.db2.gz AEVARYZDGBIKRR-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1cccc2c1CC[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923311781 644346115 /nfs/dbraw/zinc/34/61/15/644346115.db2.gz WNCGWRIQJMFOEH-QEJZJMRPSA-N 2 1 246.354 1.204 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923330978 644349181 /nfs/dbraw/zinc/34/91/81/644349181.db2.gz DXVNKDXALYSJOP-XUXIUFHCSA-N 2 1 240.391 1.453 20 0 BDADMP CN(CCC[NH2+]C1CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000923322822 644352495 /nfs/dbraw/zinc/35/24/95/644352495.db2.gz ABGQPRGLXWOQNU-AWEZNQCLSA-N 2 1 237.391 1.297 20 0 BDADMP [NH3+]CC[N@H+](CCO)C[C@@H]1CC2CCC1CC2 ZINC000923331861 644359628 /nfs/dbraw/zinc/35/96/28/644359628.db2.gz OLCGKOAKUKOOBS-BPCQOVAHSA-N 2 1 226.364 1.066 20 0 BDADMP [NH3+]CC[N@@H+](CCO)C[C@@H]1CC2CCC1CC2 ZINC000923331861 644359631 /nfs/dbraw/zinc/35/96/31/644359631.db2.gz OLCGKOAKUKOOBS-BPCQOVAHSA-N 2 1 226.364 1.066 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000923332030 644360363 /nfs/dbraw/zinc/36/03/63/644360363.db2.gz OJGMEXIIZWDACK-NXEZZACHSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000923332030 644360366 /nfs/dbraw/zinc/36/03/66/644360366.db2.gz OJGMEXIIZWDACK-NXEZZACHSA-N 2 1 223.320 1.406 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348594 644361103 /nfs/dbraw/zinc/36/11/03/644361103.db2.gz IIAPJZBVFKQCOZ-ZIAGYGMSSA-N 2 1 242.407 1.844 20 0 BDADMP CCOCCOCC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923346452 644364042 /nfs/dbraw/zinc/36/40/42/644364042.db2.gz XZPOOYSZNRGUBX-QWHCGFSZSA-N 2 1 244.379 1.099 20 0 BDADMP CCCCCC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356028 644373126 /nfs/dbraw/zinc/37/31/26/644373126.db2.gz DOKVYUVQZUFFHL-UONOGXRCSA-N 2 1 242.407 1.987 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923356028 644373131 /nfs/dbraw/zinc/37/31/31/644373131.db2.gz DOKVYUVQZUFFHL-UONOGXRCSA-N 2 1 242.407 1.987 20 0 BDADMP OC[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923364812 644375757 /nfs/dbraw/zinc/37/57/57/644375757.db2.gz OZJDWDSAXUBWFV-GSPSYOTPSA-N 2 1 238.375 1.364 20 0 BDADMP CCCCOC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923368591 644382183 /nfs/dbraw/zinc/38/21/83/644382183.db2.gz RVUNRQYTPXRPDI-NWDGAFQWSA-N 2 1 246.395 1.127 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923370719 644383301 /nfs/dbraw/zinc/38/33/01/644383301.db2.gz QJWFYNSOLVJKJP-STQMWFEESA-N 2 1 242.407 1.891 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000923370952 644384243 /nfs/dbraw/zinc/38/42/43/644384243.db2.gz SHRNZZQVEWXJAS-LBPRGKRZSA-N 3 1 225.380 1.106 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CCC[NH2+]C2CC2)C[C@@H]1C ZINC000923373853 644388652 /nfs/dbraw/zinc/38/86/52/644388652.db2.gz UQMUCWUOQCTHSW-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000923376576 644391877 /nfs/dbraw/zinc/39/18/77/644391877.db2.gz ZCKHKLJHHQTUMO-MNOVXSKESA-N 2 1 237.347 1.654 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000923376576 644391880 /nfs/dbraw/zinc/39/18/80/644391880.db2.gz ZCKHKLJHHQTUMO-MNOVXSKESA-N 2 1 237.347 1.654 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)CCC(C)C ZINC000923379085 644392022 /nfs/dbraw/zinc/39/20/22/644392022.db2.gz ODVRNIGTARRYRL-GFCCVEGCSA-N 2 1 216.369 1.325 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392284 644399437 /nfs/dbraw/zinc/39/94/37/644399437.db2.gz UNBRFMSIHSWAJH-MOKVOYLWSA-N 2 1 240.391 1.741 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392284 644399442 /nfs/dbraw/zinc/39/94/42/644399442.db2.gz UNBRFMSIHSWAJH-MOKVOYLWSA-N 2 1 240.391 1.741 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923386169 644399770 /nfs/dbraw/zinc/39/97/70/644399770.db2.gz GCODKLOQNGWNCX-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923408589 644411176 /nfs/dbraw/zinc/41/11/76/644411176.db2.gz CIOBQTUKRUDLPP-QWRGUYRKSA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923408589 644411181 /nfs/dbraw/zinc/41/11/81/644411181.db2.gz CIOBQTUKRUDLPP-QWRGUYRKSA-N 2 1 202.342 1.063 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)CCc1ccccc1 ZINC000923408602 644411583 /nfs/dbraw/zinc/41/15/83/644411583.db2.gz DJNUTEMOLMMKSL-GXTWGEPZSA-N 2 1 236.359 1.259 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)CCc1ccccc1 ZINC000923408602 644411587 /nfs/dbraw/zinc/41/15/87/644411587.db2.gz DJNUTEMOLMMKSL-GXTWGEPZSA-N 2 1 236.359 1.259 20 0 BDADMP CSC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000923424791 644418568 /nfs/dbraw/zinc/41/85/68/644418568.db2.gz ZCAWADCTECNPCM-NSHDSACASA-N 2 1 246.420 1.304 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000923426031 644418606 /nfs/dbraw/zinc/41/86/06/644418606.db2.gz BKZVXUPJCLADLO-OCCSQVGLSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H](C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O)C(C)(C)C ZINC000923423359 644419675 /nfs/dbraw/zinc/41/96/75/644419675.db2.gz BKRWXFBPXWXKPP-BJDJZHNGSA-N 2 1 228.380 1.451 20 0 BDADMP FC[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425504 644420609 /nfs/dbraw/zinc/42/06/09/644420609.db2.gz ZPNNDTFWKJEJEE-NWDGAFQWSA-N 2 1 242.338 1.046 20 0 BDADMP C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923437502 644423856 /nfs/dbraw/zinc/42/38/56/644423856.db2.gz SLGUGECBYCAQPS-XDQVBPFNSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC[C@H]1CCC[NH2+]C1 ZINC000923437502 644423861 /nfs/dbraw/zinc/42/38/61/644423861.db2.gz SLGUGECBYCAQPS-XDQVBPFNSA-N 2 1 239.407 1.447 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923420124 644425608 /nfs/dbraw/zinc/42/56/08/644425608.db2.gz GLNNKOFSCPGVTO-VXGBXAGGSA-N 2 1 237.347 1.761 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCCCCCC[NH3+] ZINC000923436568 644427821 /nfs/dbraw/zinc/42/78/21/644427821.db2.gz PBJPOBRKRNIFID-RDBSUJKOSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCCCCCC[NH3+] ZINC000923436568 644427827 /nfs/dbraw/zinc/42/78/27/644427827.db2.gz PBJPOBRKRNIFID-RDBSUJKOSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H]1CCC[NH2+]C1 ZINC000085432103 644440717 /nfs/dbraw/zinc/44/07/17/644440717.db2.gz ZJFRCABTFDCEKJ-WDEREUQCSA-N 2 1 249.362 1.343 20 0 BDADMP CCCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923465262 644443577 /nfs/dbraw/zinc/44/35/77/644443577.db2.gz AOJIFLZHUUQIJF-UHFFFAOYSA-N 2 1 213.369 1.062 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C1CCCC1 ZINC000923481345 644459212 /nfs/dbraw/zinc/45/92/12/644459212.db2.gz QKJULEDYNNTYRY-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000086189388 644459583 /nfs/dbraw/zinc/45/95/83/644459583.db2.gz FPASCJKSGOYHLY-AGIUHOORSA-N 2 1 225.380 1.140 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)nc1 ZINC000923482648 644459705 /nfs/dbraw/zinc/45/97/05/644459705.db2.gz GYQJLGAPGIDBDE-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483513 644460474 /nfs/dbraw/zinc/46/04/74/644460474.db2.gz BGPLUGJIZQFNIQ-CYBMUJFWSA-N 3 1 227.396 1.566 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccn1 ZINC000923491910 644467428 /nfs/dbraw/zinc/46/74/28/644467428.db2.gz VBKLJTVCZSWWPG-RISCZKNCSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@H]1C[NH3+] ZINC000923492628 644468234 /nfs/dbraw/zinc/46/82/34/644468234.db2.gz YATVIFPPBOBGQK-PWSUYJOCSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1C[NH3+] ZINC000923494910 644469861 /nfs/dbraw/zinc/46/98/61/644469861.db2.gz QLSWUASYYNRDSC-NWDGAFQWSA-N 2 1 248.374 1.246 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@H]1C[NH3+] ZINC000923494526 644470519 /nfs/dbraw/zinc/47/05/19/644470519.db2.gz YLXVZBFQQZDRSK-RYUDHWBXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1C[NH3+] ZINC000923494912 644470726 /nfs/dbraw/zinc/47/07/26/644470726.db2.gz QLSWUASYYNRDSC-VXGBXAGGSA-N 2 1 248.374 1.246 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499703 644474055 /nfs/dbraw/zinc/47/40/55/644474055.db2.gz LLGJXFRMBOFOHX-MCIONIFRSA-N 3 1 239.407 1.293 20 0 BDADMP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500659 644474150 /nfs/dbraw/zinc/47/41/50/644474150.db2.gz WMEUAVJCCBXQQI-SRVKXCTJSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H]1C[N@@H+](CCOCC(F)F)CC[C@@H]1C[NH3+] ZINC000923501654 644475047 /nfs/dbraw/zinc/47/50/47/644475047.db2.gz RUQPNQNBBBXVCY-VHSXEESVSA-N 2 1 236.306 1.185 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCC1 ZINC000923511262 644476978 /nfs/dbraw/zinc/47/69/78/644476978.db2.gz KQDXZJUVDQYCLD-JLLWLGSASA-N 2 1 212.337 1.081 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCC1 ZINC000923511262 644476981 /nfs/dbraw/zinc/47/69/81/644476981.db2.gz KQDXZJUVDQYCLD-JLLWLGSASA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516831 644479573 /nfs/dbraw/zinc/47/95/73/644479573.db2.gz UMVUBRFVAMSVAL-FRRDWIJNSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521280 644483237 /nfs/dbraw/zinc/48/32/37/644483237.db2.gz LSSWQKKPZCHFQR-SDDRHHMPSA-N 2 1 232.331 1.079 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521280 644483240 /nfs/dbraw/zinc/48/32/40/644483240.db2.gz LSSWQKKPZCHFQR-SDDRHHMPSA-N 2 1 232.331 1.079 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533746 644489651 /nfs/dbraw/zinc/48/96/51/644489651.db2.gz NWMGTQDHQBMPDY-JHJVBQTASA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533746 644489656 /nfs/dbraw/zinc/48/96/56/644489656.db2.gz NWMGTQDHQBMPDY-JHJVBQTASA-N 2 1 208.349 1.860 20 0 BDADMP COCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534070 644490571 /nfs/dbraw/zinc/49/05/71/644490571.db2.gz NMTIWFYGYRPUJX-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534070 644490575 /nfs/dbraw/zinc/49/05/75/644490575.db2.gz NMTIWFYGYRPUJX-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1csc(C[C@@H]2CC[N@@H+](CCC[NH3+])C2)n1 ZINC000923552682 644494175 /nfs/dbraw/zinc/49/41/75/644494175.db2.gz XZXRUIIQHRRSNN-NSHDSACASA-N 2 1 239.388 1.665 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000250870232 644784341 /nfs/dbraw/zinc/78/43/41/644784341.db2.gz SIKLNFQMZFYTHT-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N1CCCCC1 ZINC000251142237 644794867 /nfs/dbraw/zinc/79/48/67/644794867.db2.gz WMSHLBIWJVKXNF-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N(C)C ZINC000251147071 644794947 /nfs/dbraw/zinc/79/49/47/644794947.db2.gz XRJGGBGMEBIIGQ-ZOBORPQBSA-N 2 1 239.407 1.447 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251523934 644807998 /nfs/dbraw/zinc/80/79/98/644807998.db2.gz ABSJXLIEXNCAMA-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000251563031 644809921 /nfs/dbraw/zinc/80/99/21/644809921.db2.gz CWVLZEWZFZLPGL-QCNOEVLYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)CC[N@H+]1C ZINC000252181041 644840782 /nfs/dbraw/zinc/84/07/82/644840782.db2.gz SWWBMZWMMBPRSN-JHJVBQTASA-N 2 1 224.348 1.751 20 0 BDADMP CC(C)([NH3+])CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304570067 644918483 /nfs/dbraw/zinc/91/84/83/644918483.db2.gz HXKCFYPKOLQPCY-NWDGAFQWSA-N 2 1 225.380 1.330 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304570067 644918487 /nfs/dbraw/zinc/91/84/87/644918487.db2.gz HXKCFYPKOLQPCY-NWDGAFQWSA-N 3 1 225.380 1.330 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304570067 644918521 /nfs/dbraw/zinc/91/85/21/644918521.db2.gz HXKCFYPKOLQPCY-NWDGAFQWSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000253199134 644942910 /nfs/dbraw/zinc/94/29/10/644942910.db2.gz WENUFAAYZKWSAW-DGCLKSJQSA-N 2 1 219.332 1.498 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926557288 645279788 /nfs/dbraw/zinc/27/97/88/645279788.db2.gz ANTSTSLBOMLZFN-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@]1(F)CNCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843387925 645285548 /nfs/dbraw/zinc/28/55/48/645285548.db2.gz PYUFWJMKNAUAJS-CYBMUJFWSA-N 2 1 245.386 1.529 20 0 BDADMP C[C@@]1(F)CNCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843387925 645285551 /nfs/dbraw/zinc/28/55/51/645285551.db2.gz PYUFWJMKNAUAJS-CYBMUJFWSA-N 2 1 245.386 1.529 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000926646309 645331073 /nfs/dbraw/zinc/33/10/73/645331073.db2.gz XNALEVMXMKCSRI-BFHYXJOUSA-N 2 1 242.407 1.977 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000011891283 645651705 /nfs/dbraw/zinc/65/17/05/645651705.db2.gz GNMUQCPDJIKUNR-NSHDSACASA-N 2 1 208.280 1.606 20 0 BDADMP CCCNc1cc(N[C@@H]2CC[NH2+][C@H]2CC)nc[nH+]1 ZINC000872779371 645768925 /nfs/dbraw/zinc/76/89/25/645768925.db2.gz GJHGSEQMGFEFDM-WDEREUQCSA-N 2 1 249.362 1.851 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886839258 645890980 /nfs/dbraw/zinc/89/09/80/645890980.db2.gz ABIZVKMYOZGQJP-MDZLAQPJSA-N 2 1 226.364 1.376 20 0 BDADMP c1cn(CCCN[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000925494830 645925667 /nfs/dbraw/zinc/92/56/67/645925667.db2.gz RKQFDXXKGCIGLI-LBPRGKRZSA-N 3 1 234.347 1.147 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccnnc1 ZINC000924711594 646092503 /nfs/dbraw/zinc/09/25/03/646092503.db2.gz COYMTALQEFZEPH-LLVKDONJSA-N 2 1 245.330 1.722 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnnn1C ZINC000924699184 646093343 /nfs/dbraw/zinc/09/33/43/646093343.db2.gz PXOCYZNERKJXQA-QJPTWQEYSA-N 2 1 249.362 1.093 20 0 BDADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C(C)(C)CO ZINC000924972087 646148279 /nfs/dbraw/zinc/14/82/79/646148279.db2.gz IFSVZEXNPHCJLC-GFCCVEGCSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C(C)(C)CO ZINC000924972087 646148282 /nfs/dbraw/zinc/14/82/82/646148282.db2.gz IFSVZEXNPHCJLC-GFCCVEGCSA-N 2 1 242.407 1.857 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925479589 646293092 /nfs/dbraw/zinc/29/30/92/646293092.db2.gz SHYLSKCPOYLSIW-VXGBXAGGSA-N 2 1 228.380 1.514 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925483795 646294735 /nfs/dbraw/zinc/29/47/35/646294735.db2.gz YOJYSGFWFLCRKU-RYUDHWBXSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@H](CN[C@H]1CC[NH2+]C12CCC2)[N@@H+](C)C1CC1 ZINC000925497345 646301008 /nfs/dbraw/zinc/30/10/08/646301008.db2.gz VCMQMJLSXLETAL-YPMHNXCESA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925500039 646304436 /nfs/dbraw/zinc/30/44/36/646304436.db2.gz WOSIJTPGBCLLQP-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP COc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925503160 646305960 /nfs/dbraw/zinc/30/59/60/646305960.db2.gz IGOLJNCUBFZWAN-CQSZACIVSA-N 2 1 248.370 1.968 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C/C=C(/C)COC)CC1 ZINC000929779300 646308645 /nfs/dbraw/zinc/30/86/45/646308645.db2.gz LKNKRWLRQQRSGT-MLPAPPSSSA-N 2 1 240.391 1.995 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C/C=C(/C)COC)CC1 ZINC000929779300 646308649 /nfs/dbraw/zinc/30/86/49/646308649.db2.gz LKNKRWLRQQRSGT-MLPAPPSSSA-N 2 1 240.391 1.995 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C(C)(C)C ZINC000925529185 646314112 /nfs/dbraw/zinc/31/41/12/646314112.db2.gz ZMOGEPFFVKCROD-QWRGUYRKSA-N 2 1 228.380 1.778 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000929790532 646320592 /nfs/dbraw/zinc/32/05/92/646320592.db2.gz KIUZDOPGOCBZRU-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](CO)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000929790532 646320597 /nfs/dbraw/zinc/32/05/97/646320597.db2.gz KIUZDOPGOCBZRU-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](CO)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000929790532 646320599 /nfs/dbraw/zinc/32/05/99/646320599.db2.gz KIUZDOPGOCBZRU-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C(\C)COC)C1 ZINC000929790772 646321766 /nfs/dbraw/zinc/32/17/66/646321766.db2.gz MTCSSCYRNZXEQP-BLXFFLACSA-N 2 1 240.391 1.853 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C(\C)COC)C1 ZINC000929790772 646321772 /nfs/dbraw/zinc/32/17/72/646321772.db2.gz MTCSSCYRNZXEQP-BLXFFLACSA-N 2 1 240.391 1.853 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C(\C)COC)C1 ZINC000929790772 646321781 /nfs/dbraw/zinc/32/17/81/646321781.db2.gz MTCSSCYRNZXEQP-BLXFFLACSA-N 2 1 240.391 1.853 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C(\C)COC)C1 ZINC000929790772 646321792 /nfs/dbraw/zinc/32/17/92/646321792.db2.gz MTCSSCYRNZXEQP-BLXFFLACSA-N 2 1 240.391 1.853 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C(/C)COC)C1 ZINC000929790775 646322102 /nfs/dbraw/zinc/32/21/02/646322102.db2.gz MTCSSCYRNZXEQP-XMRSSTEGSA-N 2 1 240.391 1.853 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C(/C)COC)C1 ZINC000929790775 646322108 /nfs/dbraw/zinc/32/21/08/646322108.db2.gz MTCSSCYRNZXEQP-XMRSSTEGSA-N 2 1 240.391 1.853 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C(/C)COC)C1 ZINC000929790775 646322114 /nfs/dbraw/zinc/32/21/14/646322114.db2.gz MTCSSCYRNZXEQP-XMRSSTEGSA-N 2 1 240.391 1.853 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C(/C)COC)C1 ZINC000929790775 646322119 /nfs/dbraw/zinc/32/21/19/646322119.db2.gz MTCSSCYRNZXEQP-XMRSSTEGSA-N 2 1 240.391 1.853 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000925536119 646322297 /nfs/dbraw/zinc/32/22/97/646322297.db2.gz NFWLYIINCXTLLT-LBPRGKRZSA-N 2 1 219.332 1.354 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccncc1 ZINC000925542714 646324775 /nfs/dbraw/zinc/32/47/75/646324775.db2.gz OKZYSEYARVJINX-DGCLKSJQSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@@H](CCCO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925550949 646328912 /nfs/dbraw/zinc/32/89/12/646328912.db2.gz VDUVHRCZCJRHOE-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCS1 ZINC000925553504 646330859 /nfs/dbraw/zinc/33/08/59/646330859.db2.gz SZEXOFPMRSLUET-MNOVXSKESA-N 2 1 226.389 1.756 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925558580 646333531 /nfs/dbraw/zinc/33/35/31/646333531.db2.gz TVGDOLWSIMNKSX-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925557293 646333716 /nfs/dbraw/zinc/33/37/16/646333716.db2.gz NNRGJZMCIRLZDF-STQMWFEESA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)N(C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925557293 646333721 /nfs/dbraw/zinc/33/37/21/646333721.db2.gz NNRGJZMCIRLZDF-STQMWFEESA-N 2 1 241.423 1.822 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000925575052 646341772 /nfs/dbraw/zinc/34/17/72/646341772.db2.gz TZPKEXOXOFMKRR-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP Cc1noc(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)n1 ZINC000925596981 646351739 /nfs/dbraw/zinc/35/17/39/646351739.db2.gz ZGKAKZMPSFGNAE-JTQLQIEISA-N 2 1 238.335 1.041 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOC3CC3)CC[C@@H]21 ZINC000929842874 646353956 /nfs/dbraw/zinc/35/39/56/646353956.db2.gz DYPYUUZPRMEATO-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOC3CC3)CC[C@@H]21 ZINC000929842874 646353965 /nfs/dbraw/zinc/35/39/65/646353965.db2.gz DYPYUUZPRMEATO-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOC3CC3)CC[C@@H]21 ZINC000929842874 646353968 /nfs/dbraw/zinc/35/39/68/646353968.db2.gz DYPYUUZPRMEATO-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000925607745 646357427 /nfs/dbraw/zinc/35/74/27/646357427.db2.gz RQZDGJAPXNACRS-RVMXOQNASA-N 2 1 226.364 1.268 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925610074 646360154 /nfs/dbraw/zinc/36/01/54/646360154.db2.gz CJBLATVGLUUURI-ZYHUDNBSSA-N 2 1 214.353 1.268 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000925644342 646384283 /nfs/dbraw/zinc/38/42/83/646384283.db2.gz LSADUKVCLIFXGW-MNOVXSKESA-N 2 1 210.321 1.409 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925641718 646384291 /nfs/dbraw/zinc/38/42/91/646384291.db2.gz ACHCDSNEFOSQPC-GARJFASQSA-N 2 1 224.348 1.020 20 0 BDADMP OCCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925647551 646387487 /nfs/dbraw/zinc/38/74/87/646387487.db2.gz ZPKMIHFGDGYIMN-LBPRGKRZSA-N 2 1 238.375 1.413 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCCCO)c1ccccc1 ZINC000925653752 646392834 /nfs/dbraw/zinc/39/28/34/646392834.db2.gz NSBHJKSWWKVOLY-GXTWGEPZSA-N 2 1 236.359 1.827 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000925668887 646400860 /nfs/dbraw/zinc/40/08/60/646400860.db2.gz LIAQFNFYPQSDEP-SCRDCRAPSA-N 2 1 246.354 1.893 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000925674574 646403520 /nfs/dbraw/zinc/40/35/20/646403520.db2.gz SAYMTOHBQIKUOV-SNVBAGLBSA-N 2 1 214.328 1.999 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925680280 646406183 /nfs/dbraw/zinc/40/61/83/646406183.db2.gz PXYPQQQPKUHUQR-QJPTWQEYSA-N 2 1 228.380 1.778 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925685459 646413558 /nfs/dbraw/zinc/41/35/58/646413558.db2.gz ITSOARPVCDSJKX-CHWSQXEVSA-N 3 1 239.407 1.448 20 0 BDADMP C[N@@H+]1CCC[C@H](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925685459 646413561 /nfs/dbraw/zinc/41/35/61/646413561.db2.gz ITSOARPVCDSJKX-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@H+]1CCC[C@H](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925685459 646413565 /nfs/dbraw/zinc/41/35/65/646413565.db2.gz ITSOARPVCDSJKX-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP CC1(C)C[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925697814 646423895 /nfs/dbraw/zinc/42/38/95/646423895.db2.gz AOOUMCQPHXSZGO-NDBYEHHHSA-N 2 1 239.407 1.752 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925703221 646426886 /nfs/dbraw/zinc/42/68/86/646426886.db2.gz COSXMWLQORJMIG-RYUDHWBXSA-N 2 1 239.407 1.589 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccoc1 ZINC000925705890 646431168 /nfs/dbraw/zinc/43/11/68/646431168.db2.gz COZMMZCMHCYKJK-LLVKDONJSA-N 2 1 208.305 1.552 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925708341 646432678 /nfs/dbraw/zinc/43/26/78/646432678.db2.gz SJJITEYDXLQMAY-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP C(CN[C@H]1CC[NH2+]C12CCC2)C[C@@H]1CCC[NH2+]1 ZINC000925710724 646434500 /nfs/dbraw/zinc/43/45/00/646434500.db2.gz QRBNPCFDQLESOH-STQMWFEESA-N 2 1 237.391 1.393 20 0 BDADMP C1=C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925712265 646436109 /nfs/dbraw/zinc/43/61/09/646436109.db2.gz QYYGDYCGEXAYLI-NEPJUHHUSA-N 2 1 206.333 1.969 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716632 646441144 /nfs/dbraw/zinc/44/11/44/646441144.db2.gz BHGURRQVCOASRR-UPJWGTAASA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716632 646441151 /nfs/dbraw/zinc/44/11/51/646441151.db2.gz BHGURRQVCOASRR-UPJWGTAASA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729231 646453940 /nfs/dbraw/zinc/45/39/40/646453940.db2.gz ZHEBSTXFQFSEGY-AUZPSNTRSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@H]([NH3+])[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729231 646453946 /nfs/dbraw/zinc/45/39/46/646453946.db2.gz ZHEBSTXFQFSEGY-AUZPSNTRSA-N 2 1 233.359 1.402 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925736960 646454202 /nfs/dbraw/zinc/45/42/02/646454202.db2.gz LWUOPWINXIXCQT-QWRGUYRKSA-N 3 1 227.396 1.609 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925739081 646462092 /nfs/dbraw/zinc/46/20/92/646462092.db2.gz ZVTLAQOOFQTNGZ-MNOVXSKESA-N 3 1 213.369 1.092 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925780764 646464732 /nfs/dbraw/zinc/46/47/32/646464732.db2.gz BOWOVFYIIJDKHS-KKOKHZNYSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@H]1CCC[NH2+]1 ZINC000925772503 646471014 /nfs/dbraw/zinc/47/10/14/646471014.db2.gz IGHZIUCQIJMMHY-SYQHCUMBSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(C2CC2)no1 ZINC000925774197 646473843 /nfs/dbraw/zinc/47/38/43/646473843.db2.gz SJPSNUCYFZKURM-DTWKUNHWSA-N 2 1 223.320 1.767 20 0 BDADMP Cc1nc(C)c(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)[nH]1 ZINC000930177981 646479800 /nfs/dbraw/zinc/47/98/00/646479800.db2.gz RLHFSFMOWPEASP-QWRGUYRKSA-N 2 1 236.363 1.551 20 0 BDADMP Cc1nc(C)c(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)[nH]1 ZINC000930177980 646480950 /nfs/dbraw/zinc/48/09/50/646480950.db2.gz RLHFSFMOWPEASP-MNOVXSKESA-N 2 1 236.363 1.551 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000925792115 646485729 /nfs/dbraw/zinc/48/57/29/646485729.db2.gz SZKIRBAVYZGXSH-FVCCEPFGSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CN1C1CC1 ZINC000925792115 646485735 /nfs/dbraw/zinc/48/57/35/646485735.db2.gz SZKIRBAVYZGXSH-FVCCEPFGSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798220 646487136 /nfs/dbraw/zinc/48/71/36/646487136.db2.gz VMRYVOLXDFFOHK-DGCLKSJQSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000925803591 646489077 /nfs/dbraw/zinc/48/90/77/646489077.db2.gz RSIAEFZHSAYOGB-MQYQWHSLSA-N 2 1 239.407 1.482 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839680 646505886 /nfs/dbraw/zinc/50/58/86/646505886.db2.gz JAJIWZLSKBEOMF-REWJHTLYSA-N 3 1 237.391 1.236 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC000925879458 646529752 /nfs/dbraw/zinc/52/97/52/646529752.db2.gz FEIGGCXNDIKSTG-LOWDOPEQSA-N 2 1 225.380 1.363 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926425100 646635344 /nfs/dbraw/zinc/63/53/44/646635344.db2.gz WOBITHQSWXNWSG-MJBXVCDLSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926425100 646635350 /nfs/dbraw/zinc/63/53/50/646635350.db2.gz WOBITHQSWXNWSG-MJBXVCDLSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC(F)(F)C1 ZINC000926463866 646649307 /nfs/dbraw/zinc/64/93/07/646649307.db2.gz DSDOLNUXQXXXDB-FOSCPWQOSA-N 2 1 244.329 1.962 20 0 BDADMP COC/C(C)=C\C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930555335 711696826 /nfs/dbraw/zinc/69/68/26/711696826.db2.gz MFTOZBUEUAYOLV-HNFXJGKRSA-N 2 1 238.375 1.607 20 0 BDADMP CC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397291404 711705308 /nfs/dbraw/zinc/70/53/08/711705308.db2.gz AIBHNLYKEOBXGU-USZNOCQGSA-N 2 1 214.353 1.063 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000721928309 711937674 /nfs/dbraw/zinc/93/76/74/711937674.db2.gz QCRJBFAYCGKKMU-FRRDWIJNSA-N 2 1 228.380 1.717 20 0 BDADMP C[N@H+](Cc1cnccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000700090763 711986098 /nfs/dbraw/zinc/98/60/98/711986098.db2.gz ZKRIUDXUQRPLPO-MNOVXSKESA-N 2 1 220.320 1.036 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000702520666 712054633 /nfs/dbraw/zinc/05/46/33/712054633.db2.gz NWWFLSXQSOMYDY-QWRGUYRKSA-N 2 1 214.328 1.999 20 0 BDADMP CC(C)CCCC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000704004903 712095683 /nfs/dbraw/zinc/09/56/83/712095683.db2.gz DNHVSCSFKCTGJD-CYBMUJFWSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1[NH3+] ZINC000709965334 712235172 /nfs/dbraw/zinc/23/51/72/712235172.db2.gz BJVXZJOTBVVIPW-KOLCDFICSA-N 2 1 225.361 1.355 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOC3CC3)C[C@@H]21 ZINC000711759911 712326589 /nfs/dbraw/zinc/32/65/89/712326589.db2.gz RDTWSYXHIUGQJA-KGYLQXTDSA-N 2 1 224.348 1.225 20 0 BDADMP CC1(C)[C@@H]2C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]21 ZINC000379559841 712387999 /nfs/dbraw/zinc/38/79/99/712387999.db2.gz POZAHDZBJHQYJG-HLTSFMKQSA-N 2 1 218.291 1.557 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]21 ZINC000379559841 712388001 /nfs/dbraw/zinc/38/80/01/712388001.db2.gz POZAHDZBJHQYJG-HLTSFMKQSA-N 2 1 218.291 1.557 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000379566582 712393390 /nfs/dbraw/zinc/39/33/90/712393390.db2.gz PKWROADSDAZHCX-KXNHARMFSA-N 2 1 208.349 1.430 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000712555629 712444796 /nfs/dbraw/zinc/44/47/96/712444796.db2.gz WYYIDXXHOAEZSP-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000713730605 712470741 /nfs/dbraw/zinc/47/07/41/712470741.db2.gz DBGIYVSFHUWHAJ-DHCBQETCSA-N 2 1 206.333 1.804 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000714625694 712494146 /nfs/dbraw/zinc/49/41/46/712494146.db2.gz MVZZKBNWGZJQJV-UMSPYCQHSA-N 2 1 212.337 1.095 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000714995658 712503541 /nfs/dbraw/zinc/50/35/41/712503541.db2.gz RHUJOMSOZLRKMA-ZIAGYGMSSA-N 2 1 240.391 1.613 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000714995658 712503543 /nfs/dbraw/zinc/50/35/43/712503543.db2.gz RHUJOMSOZLRKMA-ZIAGYGMSSA-N 2 1 240.391 1.613 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715480214 712520612 /nfs/dbraw/zinc/52/06/12/712520612.db2.gz JBCGFTAWRBOKAI-UONOGXRCSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000717456303 712658998 /nfs/dbraw/zinc/65/89/98/712658998.db2.gz UMTLJOHHISJFNE-UPJWGTAASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000717456302 712659016 /nfs/dbraw/zinc/65/90/16/712659016.db2.gz UMTLJOHHISJFNE-JHJVBQTASA-N 2 1 242.407 1.713 20 0 BDADMP C[N@@H+](C[C@@H](O)CC1CCCC1)C1CC([NH3+])C1 ZINC000384949129 712707024 /nfs/dbraw/zinc/70/70/24/712707024.db2.gz FYBWGVBGMYRVGB-BPCQOVAHSA-N 2 1 226.364 1.349 20 0 BDADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CCCCC1 ZINC000042318327 712720442 /nfs/dbraw/zinc/72/04/42/712720442.db2.gz KBORPNQBPMRDFE-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP COCC(C)(C)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000718765489 712781886 /nfs/dbraw/zinc/78/18/86/712781886.db2.gz USUNCXWFBZEDNK-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719845567 712825580 /nfs/dbraw/zinc/82/55/80/712825580.db2.gz JPFRHGWSZWGILN-QWRGUYRKSA-N 2 1 239.388 1.745 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1ccns1 ZINC000719846546 712826312 /nfs/dbraw/zinc/82/63/12/712826312.db2.gz QFOJGNRRQPAGQK-LLVKDONJSA-N 2 1 239.388 1.889 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000721909212 710688491 /nfs/dbraw/zinc/68/84/91/710688491.db2.gz RBSSESJGOITJGP-NDBYEHHHSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])C1 ZINC000721962821 710694210 /nfs/dbraw/zinc/69/42/10/710694210.db2.gz OTXNXOXRTOGFQK-YIYPIFLZSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000723988803 710735632 /nfs/dbraw/zinc/73/56/32/710735632.db2.gz RVMOMTMQPHELLH-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1OCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000380502653 712901464 /nfs/dbraw/zinc/90/14/64/712901464.db2.gz GWLLUBLTZDSTMF-YFKTTZPYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000396715120 710907092 /nfs/dbraw/zinc/90/70/92/710907092.db2.gz QYNAHYUXEHZIBP-YPMHNXCESA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000133091409 710968278 /nfs/dbraw/zinc/96/82/78/710968278.db2.gz KLBNTQSJGSGLFE-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCCCCO)C[C@H]21 ZINC000385088004 711005472 /nfs/dbraw/zinc/00/54/72/711005472.db2.gz FWSPNJWPFHKQBB-ITGUQSILSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCCCCO)C[C@H]21 ZINC000385088004 711005476 /nfs/dbraw/zinc/00/54/76/711005476.db2.gz FWSPNJWPFHKQBB-ITGUQSILSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385616554 711015795 /nfs/dbraw/zinc/01/57/95/711015795.db2.gz PABPOWOWZZRCBY-DHIIWHAXSA-N 2 1 246.354 1.797 20 0 BDADMP CC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000389606504 711082724 /nfs/dbraw/zinc/08/27/24/711082724.db2.gz YPRLNPWVBDGURX-TXEJJXNPSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000389732290 711088113 /nfs/dbraw/zinc/08/81/13/711088113.db2.gz QUSCOKJRVUVECG-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCCCC1 ZINC000390660740 711131222 /nfs/dbraw/zinc/13/12/22/711131222.db2.gz QAQINBOZBUOCFU-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP CO[C@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392948803 711154757 /nfs/dbraw/zinc/15/47/57/711154757.db2.gz VHZKVGDBFIWYMG-OLZOCXBDSA-N 2 1 224.348 1.405 20 0 BDADMP CC(C)[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394062341 711182681 /nfs/dbraw/zinc/18/26/81/711182681.db2.gz PGLKEBQSZAUXKN-FUDCBSFHSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000396618000 711361000 /nfs/dbraw/zinc/36/10/00/711361000.db2.gz UCGHHBLZSUVKAZ-AAEUAGOBSA-N 2 1 226.364 1.533 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000395730541 711215739 /nfs/dbraw/zinc/21/57/39/711215739.db2.gz OWDJNJOWIDEPOV-GFCCVEGCSA-N 2 1 238.331 1.387 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC000395730544 711215818 /nfs/dbraw/zinc/21/58/18/711215818.db2.gz OWDJNJOWIDEPOV-LBPRGKRZSA-N 2 1 238.331 1.387 20 0 BDADMP CSCCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396626477 711360441 /nfs/dbraw/zinc/36/04/41/711360441.db2.gz FOTGKEOTEQWCTQ-WDEREUQCSA-N 2 1 216.394 1.860 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CC2CCC1CC2 ZINC000399890463 711436260 /nfs/dbraw/zinc/43/62/60/711436260.db2.gz JBIZPRHXYXEUJG-FIYWTHMPSA-N 2 1 226.364 1.064 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C(C)C ZINC000721922815 710692130 /nfs/dbraw/zinc/69/21/30/710692130.db2.gz WUUJRIBXPYSOCC-CHWSQXEVSA-N 2 1 228.380 1.576 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C(C)C ZINC000721922818 710692921 /nfs/dbraw/zinc/69/29/21/710692921.db2.gz WUUJRIBXPYSOCC-OLZOCXBDSA-N 2 1 228.380 1.576 20 0 BDADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383186378 710979168 /nfs/dbraw/zinc/97/91/68/710979168.db2.gz QXQDXKZSXYPSIV-BAMVVWIKSA-N 2 1 248.292 1.913 20 0 BDADMP CCC[N@H+]1CC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000389822314 711091087 /nfs/dbraw/zinc/09/10/87/711091087.db2.gz UDBQRIUGHASGAT-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000396648036 711363574 /nfs/dbraw/zinc/36/35/74/711363574.db2.gz KPMLIKHLYUCFKI-YPMHNXCESA-N 2 1 219.332 1.354 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396668655 711364252 /nfs/dbraw/zinc/36/42/52/711364252.db2.gz PTYNHDWCXHOAJJ-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP COc1ccccc1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396701380 711366269 /nfs/dbraw/zinc/36/62/69/711366269.db2.gz NDCNKVQGBNTBAB-TZMCWYRMSA-N 2 1 248.370 1.968 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396724970 711366310 /nfs/dbraw/zinc/36/63/10/711366310.db2.gz VLBGCECONZAXOZ-MWLCHTKSSA-N 2 1 239.388 1.724 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[NH2+][C@H]1C ZINC000396716412 711367224 /nfs/dbraw/zinc/36/72/24/711367224.db2.gz RIFCLHWTZZYDRK-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396728337 711369105 /nfs/dbraw/zinc/36/91/05/711369105.db2.gz XEOHBBFIMQZYOT-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2CC)C[C@H]1C[NH3+] ZINC000723104611 711502976 /nfs/dbraw/zinc/50/29/76/711502976.db2.gz XONIAHIOQPAPLC-YVECIDJPSA-N 2 1 226.364 1.328 20 0 BDADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723647894 711529873 /nfs/dbraw/zinc/52/98/73/711529873.db2.gz SIYGGLDMNWIWJW-REWJHTLYSA-N 2 1 238.375 1.533 20 0 BDADMP CCc1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000723713738 711535890 /nfs/dbraw/zinc/53/58/90/711535890.db2.gz ZMLZKDLTJVGBSM-SNVBAGLBSA-N 2 1 239.388 1.876 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000723887383 711543490 /nfs/dbraw/zinc/54/34/90/711543490.db2.gz TVIZGIKAANGAFK-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccno2)C[C@H]1CC[NH3+] ZINC000723900168 711544746 /nfs/dbraw/zinc/54/47/46/711544746.db2.gz JCOLKCUVXCQHHT-NXEZZACHSA-N 2 1 209.293 1.091 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000723909692 711544882 /nfs/dbraw/zinc/54/48/82/711544882.db2.gz OZXRVIDSVQDAJR-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1[nH]c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(C)[nH+]1 ZINC000724786357 711614741 /nfs/dbraw/zinc/61/47/41/711614741.db2.gz PKKOYTZNUYLAAY-CYBMUJFWSA-N 2 1 248.374 1.697 20 0 BDADMP Cc1[nH]c(CN2CC[N@H+]3CCCC[C@@H]3C2)c(C)[nH+]1 ZINC000724786357 711614743 /nfs/dbraw/zinc/61/47/43/711614743.db2.gz PKKOYTZNUYLAAY-CYBMUJFWSA-N 2 1 248.374 1.697 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724808136 711615945 /nfs/dbraw/zinc/61/59/45/711615945.db2.gz FKLOUHRZESCWSJ-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP OC1CC2(C[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000724988164 711641534 /nfs/dbraw/zinc/64/15/34/711641534.db2.gz XZLOLEMRHBPLKH-ROKHWSDSSA-N 2 1 236.359 1.116 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396593101 711702495 /nfs/dbraw/zinc/70/24/95/711702495.db2.gz XRBBAEYTBPRTTO-OPRDCNLKSA-N 2 1 202.367 1.468 20 0 BDADMP CC(C)(F)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925712240 711711851 /nfs/dbraw/zinc/71/18/51/711711851.db2.gz XBRPKNVQEWPWRE-SNVBAGLBSA-N 2 1 214.328 1.999 20 0 BDADMP C[C@@H]([NH3+])[C@H](NC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000925721178 711716092 /nfs/dbraw/zinc/71/60/92/711716092.db2.gz AACJZCUQYCLISH-YUELXQCFSA-N 2 1 247.386 1.759 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000334483909 711716977 /nfs/dbraw/zinc/71/69/77/711716977.db2.gz YYPZUWVTFNXLEY-ZDUSSCGKSA-N 2 1 248.374 1.719 20 0 BDADMP CN(C)c1ccnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000925814301 711754870 /nfs/dbraw/zinc/75/48/70/711754870.db2.gz KFRWHDCPZXPVSK-RYUDHWBXSA-N 2 1 248.374 1.507 20 0 BDADMP COc1cncc(C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000700042370 711984525 /nfs/dbraw/zinc/98/45/25/711984525.db2.gz UMEGJKRMMNVUGH-UHFFFAOYSA-N 2 1 246.314 1.385 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000700405588 711992519 /nfs/dbraw/zinc/99/25/19/711992519.db2.gz TYHYCWICEOZZOV-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000700405588 711992520 /nfs/dbraw/zinc/99/25/20/711992520.db2.gz TYHYCWICEOZZOV-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H](CCF)C1 ZINC000700589918 711999195 /nfs/dbraw/zinc/99/91/95/711999195.db2.gz DLWVODYQMCRFHE-LBPRGKRZSA-N 2 1 232.343 1.566 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(C)C)C1CC1 ZINC000702340113 712047541 /nfs/dbraw/zinc/04/75/41/712047541.db2.gz UZSDAZMYSYQZAT-GXTWGEPZSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(C)C)C1CC1 ZINC000702340113 712047543 /nfs/dbraw/zinc/04/75/43/712047543.db2.gz UZSDAZMYSYQZAT-GXTWGEPZSA-N 2 1 240.391 1.467 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000703161178 712067265 /nfs/dbraw/zinc/06/72/65/712067265.db2.gz BQLNGAJZZHUPPT-ZYGVAYEYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703547779 712078803 /nfs/dbraw/zinc/07/88/03/712078803.db2.gz KSEFXNNHKXQJKS-KWCYVHTRSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703547779 712078804 /nfs/dbraw/zinc/07/88/04/712078804.db2.gz KSEFXNNHKXQJKS-KWCYVHTRSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000703584950 712080076 /nfs/dbraw/zinc/08/00/76/712080076.db2.gz WSUUXEYSUZFBID-KXNHARMFSA-N 2 1 212.337 1.223 20 0 BDADMP COC1CC(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000703851317 712090503 /nfs/dbraw/zinc/09/05/03/712090503.db2.gz NYWDMLKDWBVMFV-BEZKJRAVSA-N 2 1 224.348 1.081 20 0 BDADMP CC(C)CCCC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000704004903 712095682 /nfs/dbraw/zinc/09/56/82/712095682.db2.gz DNHVSCSFKCTGJD-CYBMUJFWSA-N 2 1 228.380 1.469 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])Cc1cnccn1 ZINC000704159304 712101117 /nfs/dbraw/zinc/10/11/17/712101117.db2.gz FZBJMYZEJSLNLG-UHFFFAOYSA-N 2 1 236.363 1.818 20 0 BDADMP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc(N)[nH+]1 ZINC000705151832 712123465 /nfs/dbraw/zinc/12/34/65/712123465.db2.gz NIIWDBQCHJKFMR-NSHDSACASA-N 2 1 249.362 1.145 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCCO)C[C@]2(C)C1 ZINC000705659365 712135174 /nfs/dbraw/zinc/13/51/74/712135174.db2.gz NFCNMKOHFRDFPR-BETUJISGSA-N 2 1 226.364 1.033 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](CCCCO)C[C@]2(C)C1 ZINC000705659365 712135175 /nfs/dbraw/zinc/13/51/75/712135175.db2.gz NFCNMKOHFRDFPR-BETUJISGSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](CCCCO)C[C@]2(C)C1 ZINC000705659365 712135176 /nfs/dbraw/zinc/13/51/76/712135176.db2.gz NFCNMKOHFRDFPR-BETUJISGSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCCO)C[C@]2(C)C1 ZINC000705659365 712135177 /nfs/dbraw/zinc/13/51/77/712135177.db2.gz NFCNMKOHFRDFPR-BETUJISGSA-N 2 1 226.364 1.033 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000707638414 712175976 /nfs/dbraw/zinc/17/59/76/712175976.db2.gz XPZZIBJJFCWVST-YNEHKIRRSA-N 2 1 224.348 1.226 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708321752 712186164 /nfs/dbraw/zinc/18/61/64/712186164.db2.gz ACGBIZUZPUCNGT-AVGNSLFASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708325838 712187713 /nfs/dbraw/zinc/18/77/13/712187713.db2.gz YESNWMVNFSIIAR-WOPDTQHZSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000708347564 712189925 /nfs/dbraw/zinc/18/99/25/712189925.db2.gz JQQPAVHQDURORB-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)C(C)(C)O1 ZINC000709687400 712215639 /nfs/dbraw/zinc/21/56/39/712215639.db2.gz PRRAMGNZXOOCNC-VXGBXAGGSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695310 712216400 /nfs/dbraw/zinc/21/64/00/712216400.db2.gz DRPMNHPJKOARAT-QWRGUYRKSA-N 2 1 228.380 1.859 20 0 BDADMP COCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000709285254 712219051 /nfs/dbraw/zinc/21/90/51/712219051.db2.gz QQLJPQCYWUSPIB-GHMZBOCLSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000709414403 712221269 /nfs/dbraw/zinc/22/12/69/712221269.db2.gz JHVCLUMBCUTJLR-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000709825576 712228599 /nfs/dbraw/zinc/22/85/99/712228599.db2.gz KCMINBIOHQMMOV-RNJOBUHISA-N 2 1 224.348 1.367 20 0 BDADMP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000710956389 712267947 /nfs/dbraw/zinc/26/79/47/712267947.db2.gz FORYRNSRRPEXPP-RYUDHWBXSA-N 2 1 242.363 1.069 20 0 BDADMP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000710956389 712267949 /nfs/dbraw/zinc/26/79/49/712267949.db2.gz FORYRNSRRPEXPP-RYUDHWBXSA-N 2 1 242.363 1.069 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711090267 712279608 /nfs/dbraw/zinc/27/96/08/712279608.db2.gz MQSAZQGDPKHXDH-LOWDOPEQSA-N 2 1 226.364 1.077 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711449889 712301374 /nfs/dbraw/zinc/30/13/74/712301374.db2.gz IJGJTRZEFKKTEX-STQMWFEESA-N 2 1 244.354 1.125 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H](CF)C1 ZINC000711450110 712301479 /nfs/dbraw/zinc/30/14/79/712301479.db2.gz JHDJBKCOICVKPZ-OLZOCXBDSA-N 2 1 246.370 1.369 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CF)C1 ZINC000711450110 712301480 /nfs/dbraw/zinc/30/14/80/712301480.db2.gz JHDJBKCOICVKPZ-OLZOCXBDSA-N 2 1 246.370 1.369 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711450110 712301484 /nfs/dbraw/zinc/30/14/84/712301484.db2.gz JHDJBKCOICVKPZ-OLZOCXBDSA-N 2 1 246.370 1.369 20 0 BDADMP FC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000711456072 712304562 /nfs/dbraw/zinc/30/45/62/712304562.db2.gz QXPJOGYJCXAGLC-VXGBXAGGSA-N 2 1 214.328 1.668 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711531578 712309897 /nfs/dbraw/zinc/30/98/97/712309897.db2.gz AKRDERZGYGURAB-GRYCIOLGSA-N 2 1 228.405 1.655 20 0 BDADMP C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000711538859 712309956 /nfs/dbraw/zinc/30/99/56/712309956.db2.gz ZGVMLOMGGHLNAT-SDDRHHMPSA-N 2 1 226.389 1.281 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC1CC(C)C1 ZINC000711666399 712318798 /nfs/dbraw/zinc/31/87/98/712318798.db2.gz NYCHPQXLAJBQHZ-UHFFFAOYSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOC1CC1 ZINC000711732669 712321204 /nfs/dbraw/zinc/32/12/04/712321204.db2.gz RSGYUVQSNQDHTR-CMPLNLGQSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCOC1CC1 ZINC000711732669 712321205 /nfs/dbraw/zinc/32/12/05/712321205.db2.gz RSGYUVQSNQDHTR-CMPLNLGQSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711754298 712324804 /nfs/dbraw/zinc/32/48/04/712324804.db2.gz UDRAYRKKLQBKEE-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711783849 712329405 /nfs/dbraw/zinc/32/94/05/712329405.db2.gz BOZDMWNANXTNAS-WOPDTQHZSA-N 2 1 226.364 1.471 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000923478950 712334290 /nfs/dbraw/zinc/33/42/90/712334290.db2.gz JYWGHKBBJDKCIY-NSHDSACASA-N 2 1 249.358 1.724 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](COC)C(C)C ZINC000721916599 712391055 /nfs/dbraw/zinc/39/10/55/712391055.db2.gz YWFNKKPMVKKQHU-GFCCVEGCSA-N 2 1 216.369 1.446 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438282 712429714 /nfs/dbraw/zinc/42/97/14/712429714.db2.gz OASJFDLRVUFNBC-YNEHKIRRSA-N 2 1 238.375 1.757 20 0 BDADMP C[N@H+]1CCN(C[C@]2(C)CC[NH2+]C2)CCC1(C)C ZINC000712609430 712437289 /nfs/dbraw/zinc/43/72/89/712437289.db2.gz OEFRSCLNXGVLPQ-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP C[N@H+]1CCN(C(=O)CCCC[NH3+])CCC1(C)C ZINC000712671460 712440324 /nfs/dbraw/zinc/44/03/24/712440324.db2.gz CENNLVOWSVUJEC-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP C=C/C=C\CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000713642428 712467708 /nfs/dbraw/zinc/46/77/08/712467708.db2.gz LIXANZWHHYXCFF-OEFFGFFESA-N 2 1 206.333 1.660 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000714866272 712502645 /nfs/dbraw/zinc/50/26/45/712502645.db2.gz PUBKBDHRNHQHEX-GHYVTOPFSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000714866272 712502646 /nfs/dbraw/zinc/50/26/46/712502646.db2.gz PUBKBDHRNHQHEX-GHYVTOPFSA-N 2 1 238.375 1.471 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000714995657 712503516 /nfs/dbraw/zinc/50/35/16/712503516.db2.gz RHUJOMSOZLRKMA-UONOGXRCSA-N 2 1 240.391 1.613 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000714995657 712503517 /nfs/dbraw/zinc/50/35/17/712503517.db2.gz RHUJOMSOZLRKMA-UONOGXRCSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715493414 712523510 /nfs/dbraw/zinc/52/35/10/712523510.db2.gz BYFRHEVXVUFTFA-HZSPNIEDSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715509174 712524461 /nfs/dbraw/zinc/52/44/61/712524461.db2.gz MIUQNUNEVZQLKV-FPMFFAJLSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715511683 712524724 /nfs/dbraw/zinc/52/47/24/712524724.db2.gz STZVTGUQECZCDC-IGHBBLSQSA-N 2 1 238.375 1.613 20 0 BDADMP C[C@@H]([NH2+]CCC1(C)OCCO1)[C@H]1CCCC[NH2+]1 ZINC000716002395 712552194 /nfs/dbraw/zinc/55/21/94/712552194.db2.gz ZCVITBJFUHWVNH-VXGBXAGGSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000717602810 712661903 /nfs/dbraw/zinc/66/19/03/712661903.db2.gz XTGNDZYTPBMHNP-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717613955 712662303 /nfs/dbraw/zinc/66/23/03/712662303.db2.gz JQMXOKUVNIQWOD-TUAOUCFPSA-N 2 1 226.364 1.532 20 0 BDADMP C1CC1[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925495682 712698642 /nfs/dbraw/zinc/69/86/42/712698642.db2.gz NGHNQCLHGOSVHA-OCCSQVGLSA-N 2 1 249.402 1.487 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717885482 712731541 /nfs/dbraw/zinc/73/15/41/712731541.db2.gz SPPJDLAQOVGWOU-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+](C[C@@H](O)c1ccccc1)C1CC[NH2+]CC1 ZINC000037689471 712740292 /nfs/dbraw/zinc/74/02/92/712740292.db2.gz UYVZJFDFUSKFHF-CQSZACIVSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@@H+](C[C@@H](O)c1ccccc1)C1CC[NH2+]CC1 ZINC000037689471 712740295 /nfs/dbraw/zinc/74/02/95/712740295.db2.gz UYVZJFDFUSKFHF-CQSZACIVSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@@H+](CCCC(C)(F)F)C1CC([NH3+])C1 ZINC000718600142 712775801 /nfs/dbraw/zinc/77/58/01/712775801.db2.gz KOZREFWDFAPOHU-UHFFFAOYSA-N 2 1 206.280 1.843 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000719626563 712814136 /nfs/dbraw/zinc/81/41/36/712814136.db2.gz SYJBJGCSCNDBAG-AAEUAGOBSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1C ZINC000719611179 712816805 /nfs/dbraw/zinc/81/68/05/712816805.db2.gz DTGJHFIEKIQCIM-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1C ZINC000719611179 712816807 /nfs/dbraw/zinc/81/68/07/712816807.db2.gz DTGJHFIEKIQCIM-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1C ZINC000719611179 712816809 /nfs/dbraw/zinc/81/68/09/712816809.db2.gz DTGJHFIEKIQCIM-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1C ZINC000719611179 712816810 /nfs/dbraw/zinc/81/68/10/712816810.db2.gz DTGJHFIEKIQCIM-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1C ZINC000719611179 712816811 /nfs/dbraw/zinc/81/68/11/712816811.db2.gz DTGJHFIEKIQCIM-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000719784806 712824458 /nfs/dbraw/zinc/82/44/58/712824458.db2.gz YZUSZZUQSSPZJJ-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCOC1 ZINC000250811736 712834615 /nfs/dbraw/zinc/83/46/15/712834615.db2.gz UTCSNLJOYZSOLR-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]c(CO)c1 ZINC000720483278 712846542 /nfs/dbraw/zinc/84/65/42/712846542.db2.gz JHLRRHIIHXVWPG-KBPBESRZSA-N 2 1 247.342 1.247 20 0 BDADMP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)c(C)nn1 ZINC000720523536 712849334 /nfs/dbraw/zinc/84/93/34/712849334.db2.gz PFKWWWGEYJSTNS-UHFFFAOYSA-N 2 1 234.347 1.407 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cc(C)nnc2C)CC[C@H]1[NH3+] ZINC000720570096 712851990 /nfs/dbraw/zinc/85/19/90/712851990.db2.gz PUGNHJQUVGXFPK-GXTWGEPZSA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cc(C)nnc2C)CC[C@H]1[NH3+] ZINC000720570096 712851992 /nfs/dbraw/zinc/85/19/92/712851992.db2.gz PUGNHJQUVGXFPK-GXTWGEPZSA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(C)nn1 ZINC000720583811 712854707 /nfs/dbraw/zinc/85/47/07/712854707.db2.gz QUVAOGVDPQYQEM-CYBMUJFWSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)nn1 ZINC000720583811 712854709 /nfs/dbraw/zinc/85/47/09/712854709.db2.gz QUVAOGVDPQYQEM-CYBMUJFWSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)nc(N)[nH+]1 ZINC000720828645 712868981 /nfs/dbraw/zinc/86/89/81/712868981.db2.gz IXPXFLDOAUIBLA-MNOVXSKESA-N 2 1 247.346 1.040 20 0 BDADMP C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000720866843 712871882 /nfs/dbraw/zinc/87/18/82/712871882.db2.gz DVDTVBRUSAZUDS-PEBLQZBPSA-N 2 1 236.359 1.095 20 0 BDADMP CC[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720869947 712871979 /nfs/dbraw/zinc/87/19/79/712871979.db2.gz AHEGJGOCWWIQKH-CIUDSAMLSA-N 2 1 224.270 1.854 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CC2)C[C@@H]1C(F)(F)F ZINC000720872097 712872012 /nfs/dbraw/zinc/87/20/12/712872012.db2.gz OCGDHNWCJSYAQE-IUCAKERBSA-N 2 1 222.254 1.465 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1C(F)(F)F ZINC000720874701 712872593 /nfs/dbraw/zinc/87/25/93/712872593.db2.gz ZDAWAWPBVWRCHG-ZJUUUORDSA-N 2 1 236.281 1.856 20 0 BDADMP CCCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720873574 712873509 /nfs/dbraw/zinc/87/35/09/712873509.db2.gz SBKBVDUDPAYPFN-DTWKUNHWSA-N 2 1 224.270 1.856 20 0 BDADMP COC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208603590 957094654 /nfs/dbraw/zinc/09/46/54/957094654.db2.gz FFJFXBLMDPGOMK-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208603590 957094669 /nfs/dbraw/zinc/09/46/69/957094669.db2.gz FFJFXBLMDPGOMK-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208603590 957094682 /nfs/dbraw/zinc/09/46/82/957094682.db2.gz FFJFXBLMDPGOMK-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208603590 957094691 /nfs/dbraw/zinc/09/46/91/957094691.db2.gz FFJFXBLMDPGOMK-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCCCOCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399002969 958486731 /nfs/dbraw/zinc/48/67/31/958486731.db2.gz UNILCMIYXCPKOX-STQMWFEESA-N 2 1 228.380 1.923 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[NH2+]1 ZINC000399273902 958595466 /nfs/dbraw/zinc/59/54/66/958595466.db2.gz VACRGMDPPSXIOJ-UTLUCORTSA-N 2 1 218.291 1.904 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000724151676 958738576 /nfs/dbraw/zinc/73/85/76/958738576.db2.gz ITGZJIIIITWSOD-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000693778334 959280689 /nfs/dbraw/zinc/28/06/89/959280689.db2.gz WUHBVMPINVXQLU-VIFPVBQESA-N 2 1 232.418 1.463 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC1 ZINC001207391270 959625032 /nfs/dbraw/zinc/62/50/32/959625032.db2.gz AESOEMHFYWLEJF-QWHCGFSZSA-N 2 1 244.354 1.123 20 0 BDADMP C[C@@H]1CC(C[N@H+]2CC[C@](C)([NH3+])C2)C[C@@H](C)O1 ZINC000724417586 961430396 /nfs/dbraw/zinc/43/03/96/961430396.db2.gz LZWGATGDWGEILR-WZRBSPASSA-N 2 1 226.364 1.613 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCOCC1 ZINC000710454339 962381887 /nfs/dbraw/zinc/38/18/87/962381887.db2.gz LTUJFPWQXNYCQW-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP [NH3+][C@H]1CN(CC[C@@H]2CCCC[NH2+]2)CCC1(F)F ZINC001206656475 963123445 /nfs/dbraw/zinc/12/34/45/963123445.db2.gz LNVSHDMWDYNAMP-QWRGUYRKSA-N 2 1 247.333 1.187 20 0 BDADMP CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001482573182 963804741 /nfs/dbraw/zinc/80/47/41/963804741.db2.gz VJVAKBORUYBQOV-GFCCVEGCSA-N 2 1 243.395 1.077 20 0 BDADMP CNc1cc(NCC[C@@H](C)[NH+](C)C)nc[nH+]1 ZINC000697838095 964553948 /nfs/dbraw/zinc/55/39/48/964553948.db2.gz JCYYWGMAOFYPFO-SECBINFHSA-N 2 1 223.324 1.270 20 0 BDADMP CNc1cc(NCC[C@@H](C)[NH+](C)C)[nH+]cn1 ZINC000697838095 964553961 /nfs/dbraw/zinc/55/39/61/964553961.db2.gz JCYYWGMAOFYPFO-SECBINFHSA-N 2 1 223.324 1.270 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2ccncc2O)CC1 ZINC001205109592 965828827 /nfs/dbraw/zinc/82/88/27/965828827.db2.gz ILHBSWMCXXUUGR-NSHDSACASA-N 2 1 221.304 1.100 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccncc2O)CC1 ZINC001205109592 965828838 /nfs/dbraw/zinc/82/88/38/965828838.db2.gz ILHBSWMCXXUUGR-NSHDSACASA-N 2 1 221.304 1.100 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCOC(C)(C)C1 ZINC001205171028 967409147 /nfs/dbraw/zinc/40/91/47/967409147.db2.gz JMKASHNISKIVMP-IJLUTSLNSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CCNCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205324719 967539757 /nfs/dbraw/zinc/53/97/57/967539757.db2.gz FPMYSALWRZYFTG-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[NH2+]CCN1CC1(C)CC[NH2+]CC1 ZINC001205324719 967539793 /nfs/dbraw/zinc/53/97/93/967539793.db2.gz FPMYSALWRZYFTG-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccco2)CC1 ZINC001205546032 967685873 /nfs/dbraw/zinc/68/58/73/967685873.db2.gz PFDCQZHWYPVCKP-LBPRGKRZSA-N 2 1 226.295 1.933 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc[nH]c2)CC[C@@H]1C[NH3+] ZINC001205627222 967735203 /nfs/dbraw/zinc/73/52/03/967735203.db2.gz NYSDRROPXXMONT-DGCLKSJQSA-N 2 1 221.348 1.822 20 0 BDADMP COC1CC(C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000703840777 967878921 /nfs/dbraw/zinc/87/89/21/967878921.db2.gz FIBPLKIQCZDVDB-VOMCLLRMSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206167153 968095436 /nfs/dbraw/zinc/09/54/36/968095436.db2.gz XJHBWHMAMPGEAL-QWRGUYRKSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206167153 968095448 /nfs/dbraw/zinc/09/54/48/968095448.db2.gz XJHBWHMAMPGEAL-QWRGUYRKSA-N 2 1 243.351 1.713 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCC[NH3+])CC1 ZINC001206292536 968201311 /nfs/dbraw/zinc/20/13/11/968201311.db2.gz CPCHBMMYEWKCBN-LBPRGKRZSA-N 3 1 213.369 1.176 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@@H]2CCCO2)C1 ZINC001206337695 968246754 /nfs/dbraw/zinc/24/67/54/968246754.db2.gz VJPKGWQQIYZPOL-NWDGAFQWSA-N 2 1 230.327 1.318 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC001206337695 968246765 /nfs/dbraw/zinc/24/67/65/968246765.db2.gz VJPKGWQQIYZPOL-NWDGAFQWSA-N 2 1 230.327 1.318 20 0 BDADMP CCCC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC001252077753 968494465 /nfs/dbraw/zinc/49/44/65/968494465.db2.gz VXOPHSSWCLWRSR-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252798589 968982548 /nfs/dbraw/zinc/98/25/48/968982548.db2.gz CFFHJEMNIFGJEP-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[NH+]1CC2CC(C2)C1 ZINC001253195110 969106900 /nfs/dbraw/zinc/10/69/00/969106900.db2.gz NLOWSBJRPHONTN-BPCQOVAHSA-N 2 1 226.364 1.031 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2CF)C1 ZINC001208612842 969145785 /nfs/dbraw/zinc/14/57/85/969145785.db2.gz FGTJUFYFAKPKSG-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2CF)C1 ZINC001208612842 969145795 /nfs/dbraw/zinc/14/57/95/969145795.db2.gz FGTJUFYFAKPKSG-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CF)C1 ZINC001208612842 969145800 /nfs/dbraw/zinc/14/58/00/969145800.db2.gz FGTJUFYFAKPKSG-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2CF)C1 ZINC001208612842 969145805 /nfs/dbraw/zinc/14/58/05/969145805.db2.gz FGTJUFYFAKPKSG-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208608715 969149354 /nfs/dbraw/zinc/14/93/54/969149354.db2.gz WERRMEZCSVXPNI-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208608715 969149357 /nfs/dbraw/zinc/14/93/57/969149357.db2.gz WERRMEZCSVXPNI-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208608715 969149359 /nfs/dbraw/zinc/14/93/59/969149359.db2.gz WERRMEZCSVXPNI-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208608715 969149366 /nfs/dbraw/zinc/14/93/66/969149366.db2.gz WERRMEZCSVXPNI-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001208592214 969149378 /nfs/dbraw/zinc/14/93/78/969149378.db2.gz DZRHKDDFCNNKDQ-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](OC)C2)CC1 ZINC001208595488 969152292 /nfs/dbraw/zinc/15/22/92/969152292.db2.gz USIBKNKAJQIALC-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP COCC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208604553 969153682 /nfs/dbraw/zinc/15/36/82/969153682.db2.gz QGTDPWPROCWSKG-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC3(CC3)C2)C1 ZINC001208606456 969157953 /nfs/dbraw/zinc/15/79/53/969157953.db2.gz GNZZVENPURSFBI-GFCCVEGCSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC3(CC3)C2)C1 ZINC001208606456 969157958 /nfs/dbraw/zinc/15/79/58/969157958.db2.gz GNZZVENPURSFBI-GFCCVEGCSA-N 2 1 208.349 1.814 20 0 BDADMP CC[N@@H+](CC1CC[NH+](CC)CC1)CC(C)(C)O ZINC001208601224 969158551 /nfs/dbraw/zinc/15/85/51/969158551.db2.gz KPEWXQAUTFIGLI-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCC(=O)OC)CC1 ZINC001208602078 969157059 /nfs/dbraw/zinc/15/70/59/969157059.db2.gz XQKNNNVKRDQLOQ-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP C[C@@H]1COCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607911 969164164 /nfs/dbraw/zinc/16/41/64/969164164.db2.gz NUXNRRMEFDHZDV-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP C[C@@H]1COCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607911 969164171 /nfs/dbraw/zinc/16/41/71/969164171.db2.gz NUXNRRMEFDHZDV-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP C[C@@H]1COCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607911 969164176 /nfs/dbraw/zinc/16/41/76/969164176.db2.gz NUXNRRMEFDHZDV-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP CC(C)[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208613426 969172408 /nfs/dbraw/zinc/17/24/08/969172408.db2.gz UAEWKEOYSBLPLY-KGLIPLIRSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208613426 969172413 /nfs/dbraw/zinc/17/24/13/969172413.db2.gz UAEWKEOYSBLPLY-KGLIPLIRSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@@H]1COCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208613426 969172419 /nfs/dbraw/zinc/17/24/19/969172419.db2.gz UAEWKEOYSBLPLY-KGLIPLIRSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@@H]1COCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208613426 969172423 /nfs/dbraw/zinc/17/24/23/969172423.db2.gz UAEWKEOYSBLPLY-KGLIPLIRSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2C3CCC2CC3)C1 ZINC001208609479 969170399 /nfs/dbraw/zinc/17/03/99/969170399.db2.gz JYMRIGGKEFGOAW-HIFPTAJRSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2C3CCC2CC3)C1 ZINC001208609479 969170402 /nfs/dbraw/zinc/17/04/02/969170402.db2.gz JYMRIGGKEFGOAW-HIFPTAJRSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618297 969175480 /nfs/dbraw/zinc/17/54/80/969175480.db2.gz VUKIUBOYSFXKRD-RWMBFGLXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618297 969175487 /nfs/dbraw/zinc/17/54/87/969175487.db2.gz VUKIUBOYSFXKRD-RWMBFGLXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618297 969175492 /nfs/dbraw/zinc/17/54/92/969175492.db2.gz VUKIUBOYSFXKRD-RWMBFGLXSA-N 2 1 224.348 1.049 20 0 BDADMP Cc1cc(C[NH2+]C2CC[NH2+]CC2)ccn1 ZINC000391197952 969212018 /nfs/dbraw/zinc/21/20/18/969212018.db2.gz NNIDUVOPZPFEPN-UHFFFAOYSA-N 2 1 205.305 1.232 20 0 BDADMP CCOC(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078813 969398283 /nfs/dbraw/zinc/39/82/83/969398283.db2.gz HJZNGJSDFCOVAD-CNDDSTCGSA-N 2 1 240.347 1.154 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001169091458 969408340 /nfs/dbraw/zinc/40/83/40/969408340.db2.gz ROKXXXGYSKOMCD-RVMXOQNASA-N 2 1 224.348 1.238 20 0 BDADMP CCO[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452108 969519318 /nfs/dbraw/zinc/51/93/18/969519318.db2.gz DDRFDTPOWGBRMQ-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP CCO[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452108 969519324 /nfs/dbraw/zinc/51/93/24/969519324.db2.gz DDRFDTPOWGBRMQ-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001169434969 969649491 /nfs/dbraw/zinc/64/94/91/969649491.db2.gz LQNYTQCOQLINHJ-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001169434969 969649502 /nfs/dbraw/zinc/64/95/02/969649502.db2.gz LQNYTQCOQLINHJ-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP COC[C@H]1CCCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254515693 969687327 /nfs/dbraw/zinc/68/73/27/969687327.db2.gz AYJLHBLYEUEKEZ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@H]1CCCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254515693 969687335 /nfs/dbraw/zinc/68/73/35/969687335.db2.gz AYJLHBLYEUEKEZ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@H]1CCCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515693 969687344 /nfs/dbraw/zinc/68/73/44/969687344.db2.gz AYJLHBLYEUEKEZ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@H](O)C2)CC1 ZINC001254517291 969700837 /nfs/dbraw/zinc/70/08/37/969700837.db2.gz UATRGTGFXYZSNS-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001254517291 969700842 /nfs/dbraw/zinc/70/08/42/969700842.db2.gz UATRGTGFXYZSNS-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@H](O)C2)CC1 ZINC001254517291 969700848 /nfs/dbraw/zinc/70/08/48/969700848.db2.gz UATRGTGFXYZSNS-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@@H]1O ZINC001254517722 969702889 /nfs/dbraw/zinc/70/28/89/969702889.db2.gz YJYQCPFQMQVTHB-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CC[C@@H]1O ZINC001254517722 969702905 /nfs/dbraw/zinc/70/29/05/969702905.db2.gz YJYQCPFQMQVTHB-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC[C@@H]1O ZINC001254517722 969702917 /nfs/dbraw/zinc/70/29/17/969702917.db2.gz YJYQCPFQMQVTHB-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](CCC(=O)OC)[C@@H]1CCC[NH+](C)CC1 ZINC001254532083 969724426 /nfs/dbraw/zinc/72/44/26/969724426.db2.gz OUAYGQMJDFWNGD-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CCC(=O)OC)[C@@H]1CCC[N@H+](C)CC1 ZINC001254532083 969724431 /nfs/dbraw/zinc/72/44/31/969724431.db2.gz OUAYGQMJDFWNGD-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CCC(=O)OC)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532083 969724442 /nfs/dbraw/zinc/72/44/42/969724442.db2.gz OUAYGQMJDFWNGD-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CCC[N@@H+](C)C1 ZINC001255488080 970231861 /nfs/dbraw/zinc/23/18/61/970231861.db2.gz XOJZDIBIULSBHQ-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC001255534292 970302714 /nfs/dbraw/zinc/30/27/14/970302714.db2.gz CGNMWAHUEYVWMK-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@H](C)NC[C@@H]1CC[N@@H+](C)C1 ZINC001255944681 970579246 /nfs/dbraw/zinc/57/92/46/970579246.db2.gz XSQKDFYJYBDXBZ-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001255944681 970579256 /nfs/dbraw/zinc/57/92/56/970579256.db2.gz XSQKDFYJYBDXBZ-KBPBESRZSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001255944681 970579267 /nfs/dbraw/zinc/57/92/67/970579267.db2.gz XSQKDFYJYBDXBZ-KBPBESRZSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1(C)OCCO1 ZINC001255942640 970578635 /nfs/dbraw/zinc/57/86/35/970578635.db2.gz HCZLXHHDJRUDMA-GFCCVEGCSA-N 2 1 244.379 1.459 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](CO)C1 ZINC001255954785 970586188 /nfs/dbraw/zinc/58/61/88/970586188.db2.gz HZIWPJQBRBHNGM-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC001255962903 970599957 /nfs/dbraw/zinc/59/99/57/970599957.db2.gz BWAYYGFXNKKVIK-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CCCOC1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001173096331 975018081 /nfs/dbraw/zinc/01/80/81/975018081.db2.gz MXXLKNUVBFFOPU-UHFFFAOYSA-N 2 1 226.364 1.805 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ncsc2C1 ZINC001173124568 975033969 /nfs/dbraw/zinc/03/39/69/975033969.db2.gz RAAVGDSCEKNUSP-ZJUUUORDSA-N 2 1 237.372 1.424 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CCc2ncsc2C1 ZINC001173124568 975033974 /nfs/dbraw/zinc/03/39/74/975033974.db2.gz RAAVGDSCEKNUSP-ZJUUUORDSA-N 2 1 237.372 1.424 20 0 BDADMP CC[N@@H+]1CC[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001173349552 975290874 /nfs/dbraw/zinc/29/08/74/975290874.db2.gz AWCMXLOPTMEPRE-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001173349552 975290881 /nfs/dbraw/zinc/29/08/81/975290881.db2.gz AWCMXLOPTMEPRE-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@H](n2ccnc2CCC[NH3+])C1 ZINC001173358240 975321026 /nfs/dbraw/zinc/32/10/26/975321026.db2.gz YNAUKHHHLPWPGF-NSHDSACASA-N 2 1 222.336 1.041 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001173444552 975383075 /nfs/dbraw/zinc/38/30/75/975383075.db2.gz KLAKAHNNFNSBNP-VXGBXAGGSA-N 2 1 244.379 1.635 20 0 BDADMP CCOC(=O)C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC001335284602 976923427 /nfs/dbraw/zinc/92/34/27/976923427.db2.gz FEYZDKLFTDVNNM-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292545 978282421 /nfs/dbraw/zinc/28/24/21/978282421.db2.gz CXBYQTQTKJOCRW-DGCLKSJQSA-N 2 1 242.363 1.246 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[NH+](C(C)C)C(C)C)C1 ZINC000328512144 978407814 /nfs/dbraw/zinc/40/78/14/978407814.db2.gz ODHRQDGMTSJGQY-AWEZNQCLSA-N 2 1 241.423 1.789 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](NCc3cnsc3)[C@@H]2C1 ZINC001179814920 978759182 /nfs/dbraw/zinc/75/91/82/978759182.db2.gz BRJOJEDZOOBIHZ-TUAOUCFPSA-N 2 1 237.372 1.573 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnsc3)[C@@H]2C1 ZINC001179814920 978759188 /nfs/dbraw/zinc/75/91/88/978759188.db2.gz BRJOJEDZOOBIHZ-TUAOUCFPSA-N 2 1 237.372 1.573 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cnsc3)[C@@H]2C1 ZINC001179814920 978759193 /nfs/dbraw/zinc/75/91/93/978759193.db2.gz BRJOJEDZOOBIHZ-TUAOUCFPSA-N 2 1 237.372 1.573 20 0 BDADMP CC(C)[C@@H]1C[N@H+](CCCCCC[NH3+])CCN1 ZINC001235471846 979052953 /nfs/dbraw/zinc/05/29/53/979052953.db2.gz VCZIPDLTKVBOLJ-ZDUSSCGKSA-N 2 1 227.396 1.435 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CCCCCC[NH3+])CCN1 ZINC001235471846 979052960 /nfs/dbraw/zinc/05/29/60/979052960.db2.gz VCZIPDLTKVBOLJ-ZDUSSCGKSA-N 2 1 227.396 1.435 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCC[NH2+]1 ZINC001235713815 979129456 /nfs/dbraw/zinc/12/94/56/979129456.db2.gz GKOUOCSYCSYZTP-AWEZNQCLSA-N 3 1 239.407 1.450 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCC[NH2+]1 ZINC001235713815 979129466 /nfs/dbraw/zinc/12/94/66/979129466.db2.gz GKOUOCSYCSYZTP-AWEZNQCLSA-N 3 1 239.407 1.450 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001235734360 979141755 /nfs/dbraw/zinc/14/17/55/979141755.db2.gz BKWLYXUVNYPRLZ-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001235734360 979141763 /nfs/dbraw/zinc/14/17/63/979141763.db2.gz BKWLYXUVNYPRLZ-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C2(CC2)C1 ZINC001236152453 979413553 /nfs/dbraw/zinc/41/35/53/979413553.db2.gz DWLSGQJOHAJUOY-QWRGUYRKSA-N 2 1 224.348 1.585 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C2(CC2)C1 ZINC001236152453 979413560 /nfs/dbraw/zinc/41/35/60/979413560.db2.gz DWLSGQJOHAJUOY-QWRGUYRKSA-N 2 1 224.348 1.585 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)NCC1([NH3+])CC1 ZINC001342062338 979641875 /nfs/dbraw/zinc/64/18/75/979641875.db2.gz BQGNXVKGMMQYQS-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP COCOCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545366 980947359 /nfs/dbraw/zinc/94/73/59/980947359.db2.gz FQEYHEMYTOAHQS-LBPRGKRZSA-N 2 1 248.342 1.150 20 0 BDADMP CC(C)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201471537 983282963 /nfs/dbraw/zinc/28/29/63/983282963.db2.gz WDQHFZKRDGCFBJ-UHFFFAOYSA-N 2 1 239.363 1.772 20 0 BDADMP CCCCC[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201735489 983470922 /nfs/dbraw/zinc/47/09/22/983470922.db2.gz SXDHAKPOAFAKEP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCC[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201735489 983470940 /nfs/dbraw/zinc/47/09/40/983470940.db2.gz SXDHAKPOAFAKEP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCC[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001201735489 983470962 /nfs/dbraw/zinc/47/09/62/983470962.db2.gz SXDHAKPOAFAKEP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCC[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001201735489 983470983 /nfs/dbraw/zinc/47/09/83/983470983.db2.gz SXDHAKPOAFAKEP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172434418 974721150 /nfs/dbraw/zinc/72/11/50/974721150.db2.gz WGTRSKQNEWMXMP-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1CC[C@@H](N)C1 ZINC001172456958 974821191 /nfs/dbraw/zinc/82/11/91/974821191.db2.gz KINPKVSBQSCXEO-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@H](N)C1 ZINC001172456958 974821192 /nfs/dbraw/zinc/82/11/92/974821192.db2.gz KINPKVSBQSCXEO-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001172456958 974821193 /nfs/dbraw/zinc/82/11/93/974821193.db2.gz KINPKVSBQSCXEO-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001172456958 974821194 /nfs/dbraw/zinc/82/11/94/974821194.db2.gz KINPKVSBQSCXEO-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](C)(O)C2)C[NH2+]1 ZINC001246545687 972651461 /nfs/dbraw/zinc/65/14/61/972651461.db2.gz CILHGTSPYLHCDM-FRRDWIJNSA-N 2 1 226.364 1.364 20 0 BDADMP CCC[C@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246559929 972784281 /nfs/dbraw/zinc/78/42/81/972784281.db2.gz OGXYXCCIYOEZOH-NWDGAFQWSA-N 2 1 214.353 1.351 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCSC2)CCC1(F)F ZINC001246559950 972786987 /nfs/dbraw/zinc/78/69/87/972786987.db2.gz OIKCSATXQAZZKT-BDAKNGLRSA-N 2 1 236.331 1.408 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH2+]CC2)CCC[C@]1(C)O ZINC001246590328 972996995 /nfs/dbraw/zinc/99/69/95/972996995.db2.gz JCRLEPLEGDCBOX-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[NH+]1CCC(CO[C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001224451281 973656556 /nfs/dbraw/zinc/65/65/56/973656556.db2.gz UMLSOBAARICGIX-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246973192 973708458 /nfs/dbraw/zinc/70/84/58/973708458.db2.gz IFFGHHZYOVEZFY-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@@H+](CCC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000402737824 970832600 /nfs/dbraw/zinc/83/26/00/970832600.db2.gz GVEGRUOVGKFZSJ-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@H]1O ZINC001256569347 970867241 /nfs/dbraw/zinc/86/72/41/970867241.db2.gz BKVQFWSOQJGAHU-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614361 970878942 /nfs/dbraw/zinc/87/89/42/970878942.db2.gz MASQDIRDIOPWBJ-APYLGABCSA-N 2 1 240.391 1.608 20 0 BDADMP COC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256621328 970888009 /nfs/dbraw/zinc/88/80/09/970888009.db2.gz ODPCYUPUPNBOLM-FUNVUKJBSA-N 2 1 238.375 1.722 20 0 BDADMP [NH3+]CC1(O)CC[NH+](CC=C(Cl)Cl)CC1 ZINC000403323271 970914257 /nfs/dbraw/zinc/91/42/57/970914257.db2.gz ANDPZBFOPUBIDF-UHFFFAOYSA-N 2 1 239.146 1.091 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001256721955 970946346 /nfs/dbraw/zinc/94/63/46/970946346.db2.gz ZQJIXJNSUIDKGB-HIFRSBDPSA-N 2 1 247.386 1.944 20 0 BDADMP COCC[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855346 970997652 /nfs/dbraw/zinc/99/76/52/970997652.db2.gz JPJHZTWBKAQBRS-UHFFFAOYSA-N 2 1 249.358 1.629 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1C[C@@H](C)O[C@H](C)C1 ZINC001257073468 971087464 /nfs/dbraw/zinc/08/74/64/971087464.db2.gz OEJKRXPUJWGEHQ-GHMZBOCLSA-N 2 1 237.347 1.821 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257082543 971091751 /nfs/dbraw/zinc/09/17/51/971091751.db2.gz AAWGQDFKYQIHKP-WISYIIOYSA-N 2 1 214.353 1.469 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001257214008 971129026 /nfs/dbraw/zinc/12/90/26/971129026.db2.gz YOMKAVVHUFNDMB-QWHCGFSZSA-N 2 1 244.354 1.264 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001257214008 971129029 /nfs/dbraw/zinc/12/90/29/971129029.db2.gz YOMKAVVHUFNDMB-QWHCGFSZSA-N 2 1 244.354 1.264 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001257214298 971129756 /nfs/dbraw/zinc/12/97/56/971129756.db2.gz AAWHBXWWVKZINM-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)N1CCC([N@H+]2CC[C@](C)(O)C2)CC1 ZINC001257215151 971135192 /nfs/dbraw/zinc/13/51/92/971135192.db2.gz TUTNXDUNEDVYMP-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@](C)(O)C2)CC1 ZINC001257215151 971135198 /nfs/dbraw/zinc/13/51/98/971135198.db2.gz TUTNXDUNEDVYMP-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[C@@H](CC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001257246508 971140534 /nfs/dbraw/zinc/14/05/34/971140534.db2.gz ASASMCVFOWWTPL-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224816977 973990193 /nfs/dbraw/zinc/99/01/93/973990193.db2.gz DKXCOEHBODQMLG-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224816977 973990209 /nfs/dbraw/zinc/99/02/09/973990209.db2.gz DKXCOEHBODQMLG-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224816977 973990228 /nfs/dbraw/zinc/99/02/28/973990228.db2.gz DKXCOEHBODQMLG-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H](Nc1[nH+]ccc2cc[nH]c21)[C@H]1C[NH2+]CCO1 ZINC001170571447 971214267 /nfs/dbraw/zinc/21/42/67/971214267.db2.gz MOAUOYGCSYWBGZ-MWLCHTKSSA-N 2 1 246.314 1.352 20 0 BDADMP Cn1ccc2c1cc[nH+]c2N1CC[N@H+]2CC[C@H]2C1 ZINC001158424960 971230245 /nfs/dbraw/zinc/23/02/45/971230245.db2.gz ZSUKACKWISBOMD-NSHDSACASA-N 2 1 242.326 1.468 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405377420 971250910 /nfs/dbraw/zinc/25/09/10/971250910.db2.gz BTVBHCQKDSDYBP-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CO[C@H]1C ZINC000405552758 971272231 /nfs/dbraw/zinc/27/22/31/971272231.db2.gz SYGCVHCOZINJBO-NHCYSSNCSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000405562673 971272979 /nfs/dbraw/zinc/27/29/79/971272979.db2.gz ARABXHXDVHKTKV-ITGHMWBKSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1OC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000405594838 971278827 /nfs/dbraw/zinc/27/88/27/971278827.db2.gz CCTZAGKAWUBIQK-BVMMLCNSSA-N 2 1 238.375 1.625 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000405594841 971280576 /nfs/dbraw/zinc/28/05/76/971280576.db2.gz CCTZAGKAWUBIQK-CCJXIVEXSA-N 2 1 238.375 1.625 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CO[C@H]1C ZINC000405654981 971286853 /nfs/dbraw/zinc/28/68/53/971286853.db2.gz NYTZQGZYAYRWLC-GVXVVHGQSA-N 2 1 224.348 1.261 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@@H]1C ZINC000405654985 971286970 /nfs/dbraw/zinc/28/69/70/971286970.db2.gz NYTZQGZYAYRWLC-MDZLAQPJSA-N 2 1 224.348 1.261 20 0 BDADMP C[N@@H+]1CCC2(C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276758268 971323587 /nfs/dbraw/zinc/32/35/87/971323587.db2.gz DJQYDCFQABLZMX-BFHYXJOUSA-N 2 1 232.371 1.836 20 0 BDADMP C[N@H+]1CCC2(C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276758268 971323601 /nfs/dbraw/zinc/32/36/01/971323601.db2.gz DJQYDCFQABLZMX-BFHYXJOUSA-N 2 1 232.371 1.836 20 0 BDADMP [NH3+]CCCC[C@@H]([NH3+])c1nnc(C2CC2)o1 ZINC001217699787 971338614 /nfs/dbraw/zinc/33/86/14/971338614.db2.gz SCDLHLLZJKUBAZ-MRVPVSSYSA-N 2 1 210.281 1.076 20 0 BDADMP [NH3+]CCCC[C@H]([NH3+])c1nnc(C2CC2)o1 ZINC001217699788 971341599 /nfs/dbraw/zinc/34/15/99/971341599.db2.gz SCDLHLLZJKUBAZ-QMMMGPOBSA-N 2 1 210.281 1.076 20 0 BDADMP CCCc1nnc([C@@H]([NH3+])CC2CC[NH2+]CC2)o1 ZINC001217725523 971367972 /nfs/dbraw/zinc/36/79/72/971367972.db2.gz RRZQECXQIFFILL-JTQLQIEISA-N 2 1 238.335 1.412 20 0 BDADMP [NH3+][C@@H](c1nnc(C2CCC2)o1)C1CC[NH2+]CC1 ZINC001217734242 971372923 /nfs/dbraw/zinc/37/29/23/971372923.db2.gz ZHTODJJHXAQVJK-SNVBAGLBSA-N 2 1 236.319 1.337 20 0 BDADMP CCc1nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o1 ZINC001217752857 971385156 /nfs/dbraw/zinc/38/51/56/971385156.db2.gz RJYBFKHPPFCPNI-JTQLQIEISA-N 2 1 240.351 1.800 20 0 BDADMP CCCCC[C@H](C)[N@H+](CCN)CCO ZINC001257500372 971416016 /nfs/dbraw/zinc/41/60/16/971416016.db2.gz PFKKSWVELUUBGR-NSHDSACASA-N 2 1 202.342 1.208 20 0 BDADMP CCCCC[C@H](C)[N@@H+](CCN)CCO ZINC001257500372 971416021 /nfs/dbraw/zinc/41/60/21/971416021.db2.gz PFKKSWVELUUBGR-NSHDSACASA-N 2 1 202.342 1.208 20 0 BDADMP CCCCC[C@H](C)[N@H+](CC[NH3+])CCO ZINC001257500372 971416030 /nfs/dbraw/zinc/41/60/30/971416030.db2.gz PFKKSWVELUUBGR-NSHDSACASA-N 2 1 202.342 1.208 20 0 BDADMP CCCCC[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001257500372 971416032 /nfs/dbraw/zinc/41/60/32/971416032.db2.gz PFKKSWVELUUBGR-NSHDSACASA-N 2 1 202.342 1.208 20 0 BDADMP CC[N@H+]1CC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217832837 971427595 /nfs/dbraw/zinc/42/75/95/971427595.db2.gz KYJOANHXYGLJIL-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]Cc1cccc(CO[C@H]2C[NH2+]CC2(F)F)c1 ZINC001217843445 971439291 /nfs/dbraw/zinc/43/92/91/971439291.db2.gz BVXYKCKKHVNQLW-NSHDSACASA-N 2 1 242.269 1.269 20 0 BDADMP FC1(F)C[NH2+]C[C@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217845288 971439876 /nfs/dbraw/zinc/43/98/76/971439876.db2.gz XFOVKWNKDRWDOP-WDEREUQCSA-N 2 1 248.317 1.390 20 0 BDADMP [NH3+]CCCCCCCO[C@H]1C[NH2+]CC1(F)F ZINC001217845634 971442489 /nfs/dbraw/zinc/44/24/89/971442489.db2.gz ANGZLKLIWIUWKA-JTQLQIEISA-N 2 1 236.306 1.519 20 0 BDADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCC[NH3+])C2 ZINC001217879280 971477239 /nfs/dbraw/zinc/47/72/39/971477239.db2.gz BXZTYRVHBBKACZ-ITGUQSILSA-N 2 1 226.364 1.756 20 0 BDADMP Cc1ccc(N2CCC[C@H](OCCC[NH3+])C2)[nH+]c1 ZINC001217914039 971516517 /nfs/dbraw/zinc/51/65/17/971516517.db2.gz WHHNAIQYGRDTRJ-ZDUSSCGKSA-N 2 1 249.358 1.724 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1CCC2(COC2)CC1 ZINC001257896425 971529223 /nfs/dbraw/zinc/52/92/23/971529223.db2.gz QFJPLWILCMPLAN-UHFFFAOYSA-N 2 1 212.337 1.273 20 0 BDADMP COCC[N@@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258012554 971553807 /nfs/dbraw/zinc/55/38/07/971553807.db2.gz YRFDZPIZLZVHCE-UHFFFAOYSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@H]([NH3+])c1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001218237315 971645747 /nfs/dbraw/zinc/64/57/47/971645747.db2.gz NSXXBLQXQUUZHM-GZMMTYOYSA-N 2 1 242.269 1.692 20 0 BDADMP N[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1F ZINC001206154252 974324218 /nfs/dbraw/zinc/32/42/18/974324218.db2.gz HYYNFLXSIPWMKW-SDDRHHMPSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1F ZINC001206154252 974324231 /nfs/dbraw/zinc/32/42/31/974324231.db2.gz HYYNFLXSIPWMKW-SDDRHHMPSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1F ZINC001206154252 974324236 /nfs/dbraw/zinc/32/42/36/974324236.db2.gz HYYNFLXSIPWMKW-SDDRHHMPSA-N 2 1 230.327 1.174 20 0 BDADMP C[N@@H+](CCF)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130437 974355509 /nfs/dbraw/zinc/35/55/09/974355509.db2.gz IIRREXULLYGREA-GDNZZTSVSA-N 2 1 214.328 1.903 20 0 BDADMP C[NH+](CCF)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130437 974355520 /nfs/dbraw/zinc/35/55/20/974355520.db2.gz IIRREXULLYGREA-GDNZZTSVSA-N 2 1 214.328 1.903 20 0 BDADMP C[NH+](CCF)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130437 974355528 /nfs/dbraw/zinc/35/55/28/974355528.db2.gz IIRREXULLYGREA-GDNZZTSVSA-N 2 1 214.328 1.903 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccncc2)CC[C@@H]1F ZINC001206163720 974514925 /nfs/dbraw/zinc/51/49/25/974514925.db2.gz FCOMRDQRESZRAI-NWDGAFQWSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccncc2)CC[C@@H]1F ZINC001206163720 974514931 /nfs/dbraw/zinc/51/49/31/974514931.db2.gz FCOMRDQRESZRAI-NWDGAFQWSA-N 2 1 223.295 1.343 20 0 BDADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H](N)C1 ZINC001172323817 974532659 /nfs/dbraw/zinc/53/26/59/974532659.db2.gz DUQPYLNNCMNPOA-UTUOFQBUSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@H](N)C1 ZINC001172323817 974532662 /nfs/dbraw/zinc/53/26/62/974532662.db2.gz DUQPYLNNCMNPOA-UTUOFQBUSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172323817 974532665 /nfs/dbraw/zinc/53/26/65/974532665.db2.gz DUQPYLNNCMNPOA-UTUOFQBUSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172323817 974532669 /nfs/dbraw/zinc/53/26/69/974532669.db2.gz DUQPYLNNCMNPOA-UTUOFQBUSA-N 2 1 214.353 1.613 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCCOCC1)C2 ZINC001170835737 971956492 /nfs/dbraw/zinc/95/64/92/971956492.db2.gz VQCFYSPSBONJNH-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000310205956 971957462 /nfs/dbraw/zinc/95/74/62/971957462.db2.gz CPWJQPLGUCIOIG-ZDUSSCGKSA-N 2 1 234.343 1.953 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n(C)n1 ZINC000310325113 971969355 /nfs/dbraw/zinc/96/93/55/971969355.db2.gz AIJJGAVWUHIIDA-LBPRGKRZSA-N 2 1 236.363 1.289 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n(C)n1 ZINC000310325113 971969357 /nfs/dbraw/zinc/96/93/57/971969357.db2.gz AIJJGAVWUHIIDA-LBPRGKRZSA-N 2 1 236.363 1.289 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(O)c3)C[C@@H]2C1 ZINC000311056986 971988750 /nfs/dbraw/zinc/98/87/50/971988750.db2.gz HVNIRVXDHPRBJY-KGLIPLIRSA-N 2 1 246.354 1.776 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(O)c3)C[C@@H]2C1 ZINC000311056986 971988759 /nfs/dbraw/zinc/98/87/59/971988759.db2.gz HVNIRVXDHPRBJY-KGLIPLIRSA-N 2 1 246.354 1.776 20 0 BDADMP COc1ccc(NCC[C@@H](C)[NH3+])[nH+]c1C ZINC001170893746 972050022 /nfs/dbraw/zinc/05/00/22/972050022.db2.gz DPTCLHMKJBFNCF-MRVPVSSYSA-N 2 1 209.293 1.548 20 0 BDADMP Cc1[nH+]c(N[C@@H](N)CCC[NH3+])cc2[nH]ccc21 ZINC001159787538 972114505 /nfs/dbraw/zinc/11/45/05/972114505.db2.gz XIERHPQKQXFESD-LLVKDONJSA-N 2 1 233.319 1.307 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246079435 972134538 /nfs/dbraw/zinc/13/45/38/972134538.db2.gz FBKPHBFJRQBLID-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246079435 972134544 /nfs/dbraw/zinc/13/45/44/972134544.db2.gz FBKPHBFJRQBLID-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001246101331 972158914 /nfs/dbraw/zinc/15/89/14/972158914.db2.gz KBCQXXZLTCQGBY-YAMSLAJTSA-N 2 1 236.359 1.332 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246106168 972169588 /nfs/dbraw/zinc/16/95/88/972169588.db2.gz DLHWLGKFPIGSEG-ZBBUEOHVSA-N 3 1 235.375 1.023 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114474 972179786 /nfs/dbraw/zinc/17/97/86/972179786.db2.gz WQOOWWMCIZZXSF-WUHRBBMRSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246115641 972182815 /nfs/dbraw/zinc/18/28/15/972182815.db2.gz ZIQGQQONVORYIR-YNEHKIRRSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246119647 972186737 /nfs/dbraw/zinc/18/67/37/972186737.db2.gz WSYPEUIDKOUVIX-XGFWRYKXSA-N 2 1 237.391 1.199 20 0 BDADMP C(N[C@@H]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC001246187603 972213671 /nfs/dbraw/zinc/21/36/71/972213671.db2.gz RDZWDXJNSUMNPH-CHWSQXEVSA-N 2 1 237.391 1.250 20 0 BDADMP CCOCC[C@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172406039 974660118 /nfs/dbraw/zinc/66/01/18/974660118.db2.gz GEXHZOQDUZBPKO-JTQLQIEISA-N 2 1 211.309 1.372 20 0 BDADMP CS[C@H](C)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208152550 957032702 /nfs/dbraw/zinc/03/27/02/957032702.db2.gz IABRTPGGVGLZAC-UTUOFQBUSA-N 2 1 228.405 1.621 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208154605 957034563 /nfs/dbraw/zinc/03/45/63/957034563.db2.gz MUPRWQMVMYDRMP-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CS[C@@H](C)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208154605 957034581 /nfs/dbraw/zinc/03/45/81/957034581.db2.gz MUPRWQMVMYDRMP-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396634017 957090964 /nfs/dbraw/zinc/09/09/64/957090964.db2.gz HCDDZNXYCUXHCB-UWVGGRQHSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)CC[NH2+]1 ZINC001246303631 972266002 /nfs/dbraw/zinc/26/60/02/972266002.db2.gz HOGPXQHZGJGXIG-ONGXEEELSA-N 2 1 223.295 1.451 20 0 BDADMP Cc1c[nH+]c(N2CCc3[nH+]ccn3CC2)cc1N ZINC001167180637 957523764 /nfs/dbraw/zinc/52/37/64/957523764.db2.gz OGJBZQDERSEERD-UHFFFAOYSA-N 2 1 243.314 1.231 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CC[NH2+]1 ZINC001246332346 972296633 /nfs/dbraw/zinc/29/66/33/972296633.db2.gz IHPRGWJLXNDQKY-SYQHCUMBSA-N 3 1 237.391 1.521 20 0 BDADMP C[C@@H]1C[C@H](N[C@@]2(C)CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246461951 972336034 /nfs/dbraw/zinc/33/60/34/972336034.db2.gz QNHICDIDRGYEMA-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCN(C)C2)CC[NH2+]1 ZINC001246461951 972336039 /nfs/dbraw/zinc/33/60/39/972336039.db2.gz QNHICDIDRGYEMA-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@]23CCCOC3)C[NH2+]1 ZINC001246470191 972348430 /nfs/dbraw/zinc/34/84/30/972348430.db2.gz PSEWSMIMDCPEGZ-VOAKCMCISA-N 2 1 224.348 1.286 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399025625 958490881 /nfs/dbraw/zinc/49/08/81/958490881.db2.gz JDDYBICGFAUTQI-RYUDHWBXSA-N 2 1 214.353 1.532 20 0 BDADMP CCCOCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399034259 958490709 /nfs/dbraw/zinc/49/07/09/958490709.db2.gz NPQNGWZEMJWHKS-VXGBXAGGSA-N 2 1 214.353 1.533 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399025623 958494123 /nfs/dbraw/zinc/49/41/23/958494123.db2.gz JDDYBICGFAUTQI-NWDGAFQWSA-N 2 1 214.353 1.532 20 0 BDADMP CCSC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399174205 958553576 /nfs/dbraw/zinc/55/35/76/958553576.db2.gz HHVHXTVTVCUBAI-NSHDSACASA-N 2 1 246.420 1.174 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C[NH2+]1 ZINC000399251453 958579923 /nfs/dbraw/zinc/57/99/23/958579923.db2.gz LRHNKLCCGZICPR-AAEUAGOBSA-N 2 1 234.343 1.665 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C[NH2+]1 ZINC000399251465 958582426 /nfs/dbraw/zinc/58/24/26/958582426.db2.gz LRHNKLCCGZICPR-WCQYABFASA-N 2 1 234.343 1.665 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693563790 958814361 /nfs/dbraw/zinc/81/43/61/958814361.db2.gz WZZFTIVPEHWEBY-AOOOYVTPSA-N 2 1 214.378 1.551 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000693566972 958859835 /nfs/dbraw/zinc/85/98/35/958859835.db2.gz FFEZJLLNEHGDRK-RVMXOQNASA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+]C12CC(CC[N@H+]3CCC[C@]34CCC[NH2+]C4)(C1)C2 ZINC001222230868 972411618 /nfs/dbraw/zinc/41/16/18/972411618.db2.gz FRGWTSOMMNEZJL-NRXISQOPSA-N 2 1 249.402 1.476 20 0 BDADMP [NH3+]C12CC(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)(C1)C2 ZINC001222231134 972413236 /nfs/dbraw/zinc/41/32/36/972413236.db2.gz JPVHNDUHMKXIKO-JXQTWKCFSA-N 3 1 235.375 1.086 20 0 BDADMP [NH3+]C12CC(CN3CCC[C@@]34CCC[NH2+]C4)(C1)C2 ZINC001222231134 972413241 /nfs/dbraw/zinc/41/32/41/972413241.db2.gz JPVHNDUHMKXIKO-JXQTWKCFSA-N 2 1 235.375 1.086 20 0 BDADMP CSCC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246529482 972418833 /nfs/dbraw/zinc/41/88/33/972418833.db2.gz KMQBXEHAFRRZTC-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP C[C@H]1CC[C@@H](CO)C[N@H+]1CC1CC[NH2+]CC1 ZINC000708438675 959433991 /nfs/dbraw/zinc/43/39/91/959433991.db2.gz JTCFSEJADAWCRQ-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP CCOCC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001172409558 974671180 /nfs/dbraw/zinc/67/11/80/974671180.db2.gz WVCWEHZZJGXQAH-GFCCVEGCSA-N 2 1 216.369 1.861 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000724785459 959512724 /nfs/dbraw/zinc/51/27/24/959512724.db2.gz CTYWEOVFEYISOY-LLVKDONJSA-N 2 1 222.336 1.279 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222307872 972437554 /nfs/dbraw/zinc/43/75/54/972437554.db2.gz CUHAPJOQVRFBNL-ZDUSSCGKSA-N 3 1 225.380 1.204 20 0 BDADMP C[NH2+]CCCN1CCC[C@]12CCC[NH2+]CC2 ZINC001222307872 972437555 /nfs/dbraw/zinc/43/75/55/972437555.db2.gz CUHAPJOQVRFBNL-ZDUSSCGKSA-N 2 1 225.380 1.204 20 0 BDADMP c1nc2c(s1)C[C@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC001246531022 972439049 /nfs/dbraw/zinc/43/90/49/972439049.db2.gz ZTVJTRNLHGJYDX-SNVBAGLBSA-N 2 1 237.372 1.296 20 0 BDADMP c1nc2c(s1)C[C@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC001246531022 972439054 /nfs/dbraw/zinc/43/90/54/972439054.db2.gz ZTVJTRNLHGJYDX-SNVBAGLBSA-N 2 1 237.372 1.296 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000690455925 959692916 /nfs/dbraw/zinc/69/29/16/959692916.db2.gz YILJHWZIRSRSHU-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000300383652 959803181 /nfs/dbraw/zinc/80/31/81/959803181.db2.gz IAHRQFRXXMJXGQ-GRYCIOLGSA-N 2 1 246.420 1.173 20 0 BDADMP N[C@@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC12CC2 ZINC001246533332 972463433 /nfs/dbraw/zinc/46/34/33/972463433.db2.gz MKPRZRNLEBZQKG-ROKHWSDSSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)CC12CC2 ZINC001246533332 972463446 /nfs/dbraw/zinc/46/34/46/972463446.db2.gz MKPRZRNLEBZQKG-ROKHWSDSSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC12CC2 ZINC001246533332 972463456 /nfs/dbraw/zinc/46/34/56/972463456.db2.gz MKPRZRNLEBZQKG-ROKHWSDSSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1CN(C2CCC3(CC[NH2+]C3)CC2)CC12CC2 ZINC001246533332 972463460 /nfs/dbraw/zinc/46/34/60/972463460.db2.gz MKPRZRNLEBZQKG-ROKHWSDSSA-N 2 1 249.402 1.332 20 0 BDADMP COC(C)(C)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000393758871 959896623 /nfs/dbraw/zinc/89/66/23/959896623.db2.gz YXPYGIRZGWPNHK-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@]1(C)CO ZINC000694672260 959957187 /nfs/dbraw/zinc/95/71/87/959957187.db2.gz JJOADEWAMZUFSJ-TZMCWYRMSA-N 2 1 240.391 1.279 20 0 BDADMP COC1CCC([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000708876493 960005375 /nfs/dbraw/zinc/00/53/75/960005375.db2.gz XCTUKBBTYRTNAV-ZFDZMSFRSA-N 2 1 226.364 1.471 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)C2)[C@H](C)C1 ZINC000167317358 960049627 /nfs/dbraw/zinc/04/96/27/960049627.db2.gz CTSPHQPWKALSII-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000167317358 960049635 /nfs/dbraw/zinc/04/96/35/960049635.db2.gz CTSPHQPWKALSII-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000167317358 960049638 /nfs/dbraw/zinc/04/96/38/960049638.db2.gz CTSPHQPWKALSII-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC000167317358 960049641 /nfs/dbraw/zinc/04/96/41/960049641.db2.gz CTSPHQPWKALSII-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC000167317358 960049645 /nfs/dbraw/zinc/04/96/45/960049645.db2.gz CTSPHQPWKALSII-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CSCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708887737 960078310 /nfs/dbraw/zinc/07/83/10/960078310.db2.gz YHBXMDXRIGABRV-VHSXEESVSA-N 2 1 202.367 1.266 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001207436829 960091292 /nfs/dbraw/zinc/09/12/92/960091292.db2.gz RRJMSXAQPGNZFT-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1c2cccn2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207439053 960096327 /nfs/dbraw/zinc/09/63/27/960096327.db2.gz JJBMCHZZEGMHRF-LBPRGKRZSA-N 2 1 233.359 1.864 20 0 BDADMP O=C1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001207442897 960133185 /nfs/dbraw/zinc/13/31/85/960133185.db2.gz IIOZDHYAHTZYJL-OLZOCXBDSA-N 2 1 236.359 1.287 20 0 BDADMP CC1=C[C@H](C)[C@H](C[NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001222461258 972496207 /nfs/dbraw/zinc/49/62/07/972496207.db2.gz PSYIZCSVVMVCPG-STQMWFEESA-N 2 1 220.360 1.884 20 0 BDADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140709726 960529538 /nfs/dbraw/zinc/52/95/38/960529538.db2.gz BHYPDUWJSAZRPI-BETUJISGSA-N 2 1 219.332 1.398 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140709726 960529552 /nfs/dbraw/zinc/52/95/52/960529552.db2.gz BHYPDUWJSAZRPI-BETUJISGSA-N 2 1 219.332 1.398 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140709726 960529558 /nfs/dbraw/zinc/52/95/58/960529558.db2.gz BHYPDUWJSAZRPI-BETUJISGSA-N 2 1 219.332 1.398 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140709726 960529573 /nfs/dbraw/zinc/52/95/73/960529573.db2.gz BHYPDUWJSAZRPI-BETUJISGSA-N 2 1 219.332 1.398 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491426 972514032 /nfs/dbraw/zinc/51/40/32/972514032.db2.gz AQZAZPHGFGYHLQ-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP O[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@H]1F ZINC001140802265 960593787 /nfs/dbraw/zinc/59/37/87/960593787.db2.gz SOHRXFSNNYXXIN-WCQYABFASA-N 2 1 249.289 1.468 20 0 BDADMP O[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@H]1F ZINC001140802265 960593794 /nfs/dbraw/zinc/59/37/94/960593794.db2.gz SOHRXFSNNYXXIN-WCQYABFASA-N 2 1 249.289 1.468 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802381 960594139 /nfs/dbraw/zinc/59/41/39/960594139.db2.gz UFALNMPHPJGQLZ-JQWIXIFHSA-N 2 1 245.326 1.908 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802381 960594150 /nfs/dbraw/zinc/59/41/50/960594150.db2.gz UFALNMPHPJGQLZ-JQWIXIFHSA-N 2 1 245.326 1.908 20 0 BDADMP Cc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)o1 ZINC001222491941 972519559 /nfs/dbraw/zinc/51/95/59/972519559.db2.gz KURHWUXMISFKEL-KBPBESRZSA-N 2 1 249.358 1.114 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCCCC3)C[C@@H]2C1 ZINC000585382542 960670278 /nfs/dbraw/zinc/67/02/78/960670278.db2.gz PZMUHKMUWYMHNW-TXEJJXNPSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1 ZINC000585382542 960670284 /nfs/dbraw/zinc/67/02/84/960670284.db2.gz PZMUHKMUWYMHNW-TXEJJXNPSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCCCC3)C[C@@H]2C1 ZINC000585382542 960670292 /nfs/dbraw/zinc/67/02/92/960670292.db2.gz PZMUHKMUWYMHNW-TXEJJXNPSA-N 2 1 208.349 1.813 20 0 BDADMP Cc1nccnc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001140937553 960724295 /nfs/dbraw/zinc/72/42/95/960724295.db2.gz MSGPMSNXRZMXNY-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC1CC[NH+](C)CC1)C2 ZINC001222499089 972529105 /nfs/dbraw/zinc/52/91/05/972529105.db2.gz XIQGQYGLWIFPSQ-IMRBUKKESA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2SCCS2)CC[N@H+]1C ZINC000692903993 961208003 /nfs/dbraw/zinc/20/80/03/961208003.db2.gz HKTWVIVLDSJLIG-ZJUUUORDSA-N 2 1 246.445 1.865 20 0 BDADMP Cc1cc[nH+]c(N2CC3(C2)CCC[NH2+]C3)c1 ZINC000709850296 961713808 /nfs/dbraw/zinc/71/38/08/961713808.db2.gz SHCPHQKFKWESPR-UHFFFAOYSA-N 2 1 217.316 1.580 20 0 BDADMP C[N@H+]1CCC[C@@H](NCc2cncc(F)c2)CC1 ZINC000700770635 961866552 /nfs/dbraw/zinc/86/65/52/961866552.db2.gz FEJGOOLQEHSXNY-CYBMUJFWSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC000700770635 961866555 /nfs/dbraw/zinc/86/65/55/961866555.db2.gz FEJGOOLQEHSXNY-CYBMUJFWSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC000700770635 961866556 /nfs/dbraw/zinc/86/65/56/961866556.db2.gz FEJGOOLQEHSXNY-CYBMUJFWSA-N 2 1 237.322 1.795 20 0 BDADMP COc1ccnc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206631932 962123872 /nfs/dbraw/zinc/12/38/72/962123872.db2.gz DDQZDMQKGAZPGS-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ccnc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206631932 962123881 /nfs/dbraw/zinc/12/38/81/962123881.db2.gz DDQZDMQKGAZPGS-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)nc1 ZINC001206632656 962141500 /nfs/dbraw/zinc/14/15/00/962141500.db2.gz NDCSKXYWAPPHHQ-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)nc1 ZINC001206632656 962141517 /nfs/dbraw/zinc/14/15/17/962141517.db2.gz NDCSKXYWAPPHHQ-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP C[C@@H]1C[C@@H](NCC[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000710408529 962380605 /nfs/dbraw/zinc/38/06/05/962380605.db2.gz FEKHPZJSEBVIAY-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000710408529 962380624 /nfs/dbraw/zinc/38/06/24/962380624.db2.gz FEKHPZJSEBVIAY-FRRDWIJNSA-N 3 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000710408529 962380635 /nfs/dbraw/zinc/38/06/35/962380635.db2.gz FEKHPZJSEBVIAY-FRRDWIJNSA-N 3 1 225.380 1.201 20 0 BDADMP CC[C@@H](C)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152427230 962425945 /nfs/dbraw/zinc/42/59/45/962425945.db2.gz USVKXLRHUSAREV-GFCCVEGCSA-N 2 1 243.395 1.079 20 0 BDADMP Cc1cc(C)[nH+]c(N[C@@H](C)CN2CC[NH2+]CC2)c1 ZINC001154748349 962844615 /nfs/dbraw/zinc/84/46/15/962844615.db2.gz XWHVTJJZYBJZKH-ZDUSSCGKSA-N 2 1 248.374 1.404 20 0 BDADMP Nc1ccc[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154974322 962927210 /nfs/dbraw/zinc/92/72/10/962927210.db2.gz DAAWYVKVDHQTOZ-DTWKUNHWSA-N 2 1 206.293 1.346 20 0 BDADMP [NH3+][C@@H]1C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967076 963033274 /nfs/dbraw/zinc/03/32/74/963033274.db2.gz ATLRGLMQOOTUFT-ZLMOABSSSA-N 2 1 235.375 1.081 20 0 BDADMP COC[C@H]1CCCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000696610980 963288457 /nfs/dbraw/zinc/28/84/57/963288457.db2.gz SELUMLIUUFWMJU-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001204763238 963373547 /nfs/dbraw/zinc/37/35/47/963373547.db2.gz IKCHKUQWEBHGJO-RNJOBUHISA-N 2 1 206.333 1.622 20 0 BDADMP C[NH2+][C@H]1CCN1c1[nH+]c(C)cc2[nH]ccc21 ZINC001156659720 963430331 /nfs/dbraw/zinc/43/03/31/963430331.db2.gz OKWYTJFTBSTDPE-LLVKDONJSA-N 2 1 216.288 1.627 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN(c2cc(N)cc[nH+]2)C1 ZINC001157001192 963509508 /nfs/dbraw/zinc/50/95/08/963509508.db2.gz KHTPQXGDJDIJGT-GFCCVEGCSA-N 2 1 234.347 1.583 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000689078176 963694688 /nfs/dbraw/zinc/69/46/88/963694688.db2.gz VWGDYTAGTNKJIM-UWVGGRQHSA-N 2 1 234.290 1.081 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000689078176 963694699 /nfs/dbraw/zinc/69/46/99/963694699.db2.gz VWGDYTAGTNKJIM-UWVGGRQHSA-N 2 1 234.290 1.081 20 0 BDADMP C[N@@H+](CC1CCOCC1)C[C@H]1CCCC[NH2+]C1 ZINC000697079094 963708545 /nfs/dbraw/zinc/70/85/45/963708545.db2.gz IMMKBVQHLGHUMW-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001168107536 963738104 /nfs/dbraw/zinc/73/81/04/963738104.db2.gz WHPAFTKKTFRDOY-GHMZBOCLSA-N 2 1 223.320 1.514 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001168111320 963750503 /nfs/dbraw/zinc/75/05/03/963750503.db2.gz APHGLGONNHDNIP-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCO1 ZINC001168111320 963750507 /nfs/dbraw/zinc/75/05/07/963750507.db2.gz APHGLGONNHDNIP-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCO1 ZINC001168111320 963750511 /nfs/dbraw/zinc/75/05/11/963750511.db2.gz APHGLGONNHDNIP-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168128770 963807125 /nfs/dbraw/zinc/80/71/25/963807125.db2.gz UJDJNAMPDSSCFE-GXTWGEPZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168128770 963807133 /nfs/dbraw/zinc/80/71/33/963807133.db2.gz UJDJNAMPDSSCFE-GXTWGEPZSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCO1 ZINC001168138564 963840382 /nfs/dbraw/zinc/84/03/82/963840382.db2.gz AGCLPAVFCHFLSG-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001168139487 963841591 /nfs/dbraw/zinc/84/15/91/963841591.db2.gz TVWHBCUFUOPPIJ-RVMXOQNASA-N 2 1 224.348 1.047 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCO1 ZINC001168139487 963841598 /nfs/dbraw/zinc/84/15/98/963841598.db2.gz TVWHBCUFUOPPIJ-RVMXOQNASA-N 2 1 224.348 1.047 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCO1 ZINC001168139487 963841603 /nfs/dbraw/zinc/84/16/03/963841603.db2.gz TVWHBCUFUOPPIJ-RVMXOQNASA-N 2 1 224.348 1.047 20 0 BDADMP CC[C@@]([NH3+])(CO)Nc1cc2[nH]ccc2c(C)[nH+]1 ZINC001159743741 964176585 /nfs/dbraw/zinc/17/65/85/964176585.db2.gz KSYUSAWEBSQYOP-LBPRGKRZSA-N 2 1 234.303 1.341 20 0 BDADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1O ZINC001168314135 964420563 /nfs/dbraw/zinc/42/05/63/964420563.db2.gz KGRBHRUREXYSIO-RYSNWHEDSA-N 2 1 240.391 1.562 20 0 BDADMP CN(C)CC[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168314295 964421147 /nfs/dbraw/zinc/42/11/47/964421147.db2.gz CFAZPJNIJJALNS-UHFFFAOYSA-N 2 1 227.396 1.353 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](F)C2)CC1 ZINC001168314451 964421418 /nfs/dbraw/zinc/42/14/18/964421418.db2.gz LGOFFKNRBHGAAY-VOMCLLRMSA-N 2 1 214.328 1.903 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC3(COC3)C2)CC1 ZINC001168314061 964421437 /nfs/dbraw/zinc/42/14/37/964421437.db2.gz JEKKLVFOBGAPCX-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP Nc1nc(NCc2ccccc2C[NH3+])cc[nH+]1 ZINC001160907070 964439018 /nfs/dbraw/zinc/43/90/18/964439018.db2.gz IWTQFLHJWPCOQD-UHFFFAOYSA-N 2 1 229.287 1.130 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCCC23COC3)CC1 ZINC001168324747 964446078 /nfs/dbraw/zinc/44/60/78/964446078.db2.gz WAQJKWIJTQBJPG-UHFFFAOYSA-N 2 1 238.375 1.724 20 0 BDADMP CC(C)[N@@H+](CCCO)C1CCC([NH+](C)C)CC1 ZINC001168323979 964450760 /nfs/dbraw/zinc/45/07/60/964450760.db2.gz DWDLWULPCNCYFG-UHFFFAOYSA-N 2 1 242.407 1.952 20 0 BDADMP Cc1c[nH+]c(NC/C=C/C[NH3+])nc1N1CCCC1 ZINC001160978025 964465005 /nfs/dbraw/zinc/46/50/05/964465005.db2.gz VMHBSBBZBVGHDN-NSCUHMNNSA-N 2 1 247.346 1.312 20 0 BDADMP C[N@@H+](Cc1ccc(NC/C=C/C[NH3+])nc1)C1CC1 ZINC001160982503 964466284 /nfs/dbraw/zinc/46/62/84/964466284.db2.gz LGSYCKNAUJMMRS-NSCUHMNNSA-N 2 1 246.358 1.603 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC1=[NH+]CCCCN1 ZINC000697708355 964502440 /nfs/dbraw/zinc/50/24/40/964502440.db2.gz ZVRDOBGJKKVILA-NSHDSACASA-N 2 1 226.368 1.046 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CCCSC1)C[NH+](C)C ZINC000926958909 964523874 /nfs/dbraw/zinc/52/38/74/964523874.db2.gz ILXRDJOAWSZIEY-NEPJUHHUSA-N 2 1 246.420 1.438 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CCCSC1)C[NH+](C)C ZINC000926958911 964526405 /nfs/dbraw/zinc/52/64/05/964526405.db2.gz ILXRDJOAWSZIEY-RYUDHWBXSA-N 2 1 246.420 1.438 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C)C1CCC1)C[NH+](C)C ZINC000926959263 964532268 /nfs/dbraw/zinc/53/22/68/964532268.db2.gz APFRKTYOXIHLOT-YPMHNXCESA-N 2 1 228.380 1.731 20 0 BDADMP COCCC1([NH3+])CCN(c2cc(C)cc[nH+]2)CC1 ZINC001162040676 964844492 /nfs/dbraw/zinc/84/44/92/964844492.db2.gz YBIHSRBJQJMMSS-UHFFFAOYSA-N 2 1 249.358 1.724 20 0 BDADMP Cc1c[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)nc1NC1CC1 ZINC001162325077 964930676 /nfs/dbraw/zinc/93/06/76/964930676.db2.gz PCBKINXUQMRBDW-GSJFWJNXSA-N 2 1 247.346 1.651 20 0 BDADMP Cc1cc2c[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)nc2[nH]1 ZINC001162390187 964949729 /nfs/dbraw/zinc/94/97/29/964949729.db2.gz CRKUKGSZXAQGPK-WDEREUQCSA-N 2 1 245.330 1.900 20 0 BDADMP [NH3+][C@H]1CCC[C@@H](Nc2nc3[nH]ccc3c[nH+]2)C1 ZINC001162394417 964954861 /nfs/dbraw/zinc/95/48/61/964954861.db2.gz ZMQVYRAGOTWEQK-VHSXEESVSA-N 2 1 231.303 1.591 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@@H]1CCC[N@@H+](C)C1 ZINC001224818024 964989332 /nfs/dbraw/zinc/98/93/32/964989332.db2.gz GMMBAUGOFIQUJQ-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CCC[NH+](C)C1 ZINC001224818024 964989313 /nfs/dbraw/zinc/98/93/13/964989313.db2.gz GMMBAUGOFIQUJQ-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@@H]1CCC[N@H+](C)C1 ZINC001224818024 964989324 /nfs/dbraw/zinc/98/93/24/964989324.db2.gz GMMBAUGOFIQUJQ-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP Cc1cc[nH+]c(C)c1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162477267 964990356 /nfs/dbraw/zinc/99/03/56/964990356.db2.gz FWSYXKPYCAPHDY-QWRGUYRKSA-N 2 1 223.295 1.810 20 0 BDADMP C(C1CC1)[NH+]1CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001168378674 965083717 /nfs/dbraw/zinc/08/37/17/965083717.db2.gz PQTPANSFYDSCQI-BETUJISGSA-N 2 1 220.360 1.813 20 0 BDADMP CC(C)[NH+]1CC(NC2CC[NH+](C(C)C)CC2)C1 ZINC000383266674 965148361 /nfs/dbraw/zinc/14/83/61/965148361.db2.gz UQSVIAQDBKIXOK-UHFFFAOYSA-N 2 1 239.407 1.541 20 0 BDADMP CCc1ccc[nH+]c1N[C@H]1COCCC12C[NH2+]C2 ZINC001163068208 965249507 /nfs/dbraw/zinc/24/95/07/965249507.db2.gz GQXMPDNEACCNFD-LBPRGKRZSA-N 2 1 247.342 1.434 20 0 BDADMP Cc1ccc[nH+]c1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163094807 965255139 /nfs/dbraw/zinc/25/51/39/965255139.db2.gz SARJHMLVLRMYQI-IJLUTSLNSA-N 2 1 233.315 1.036 20 0 BDADMP CCc1cccc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]1 ZINC001163159159 965269220 /nfs/dbraw/zinc/26/92/20/965269220.db2.gz VHJDWROWJAKYPB-FZMZJTMJSA-N 2 1 247.342 1.292 20 0 BDADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](CC)C1 ZINC000328199402 965384911 /nfs/dbraw/zinc/38/49/11/965384911.db2.gz ROZIQZXCDRHHRA-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CC[N@@H+](CCN1CCCC1)CC1CC[NH2+]CC1 ZINC000094025160 965386918 /nfs/dbraw/zinc/38/69/18/965386918.db2.gz JYPNVJSPUCKZLY-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP OCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000714958995 965559928 /nfs/dbraw/zinc/55/99/28/965559928.db2.gz CMEQAAFYNSBWRV-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccncc2)CC1 ZINC001205093686 965719406 /nfs/dbraw/zinc/71/94/06/965719406.db2.gz DTDOAYLBTWDOPI-CQSZACIVSA-N 2 1 233.359 1.827 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205094776 965731393 /nfs/dbraw/zinc/73/13/93/965731393.db2.gz PCLWHSYQPRABPZ-NSHDSACASA-N 2 1 208.305 1.901 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095032 965736152 /nfs/dbraw/zinc/73/61/52/965736152.db2.gz SXVLLKYKSVRPAH-LLVKDONJSA-N 2 1 226.364 1.805 20 0 BDADMP CC(C)N(CCC[NH3+])c1nc(N(C)C)cc[nH+]1 ZINC001164123186 965745368 /nfs/dbraw/zinc/74/53/68/965745368.db2.gz ZINWZMHASHRCJZ-UHFFFAOYSA-N 2 1 237.351 1.106 20 0 BDADMP CC(C)N(CCC[NH3+])c1nc2c(ccn2C)c[nH+]1 ZINC001164122764 965745556 /nfs/dbraw/zinc/74/55/56/965745556.db2.gz PFJVAGPCPGBJAL-UHFFFAOYSA-N 2 1 247.346 1.532 20 0 BDADMP C[C@H]1COCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263128 965825582 /nfs/dbraw/zinc/82/55/82/965825582.db2.gz HQQZEZFJEQJPCG-RLAWYHOSSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3cccnc3[nH]2)CC1 ZINC001205109718 965829465 /nfs/dbraw/zinc/82/94/65/965829465.db2.gz JZBVGIHITPECJI-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP COc1cncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1C ZINC001205117773 965872053 /nfs/dbraw/zinc/87/20/53/965872053.db2.gz UWAITOUNICRZMP-CYBMUJFWSA-N 2 1 249.358 1.712 20 0 BDADMP COc1cncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1C ZINC001205117773 965872057 /nfs/dbraw/zinc/87/20/57/965872057.db2.gz UWAITOUNICRZMP-CYBMUJFWSA-N 2 1 249.358 1.712 20 0 BDADMP Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234980133 965983495 /nfs/dbraw/zinc/98/34/95/965983495.db2.gz FVYJGVFUOFXQKD-OAHLLOKOSA-N 2 1 245.370 1.132 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000699606675 966004362 /nfs/dbraw/zinc/00/43/62/966004362.db2.gz RYZXXRGCWRAUMK-OLZOCXBDSA-N 2 1 237.347 1.596 20 0 BDADMP Nc1cc(N2CCC3(CCCC[NH2+]3)CC2)nc[nH+]1 ZINC001165249190 966006056 /nfs/dbraw/zinc/00/60/56/966006056.db2.gz XHJTUODUAVNAHM-UHFFFAOYSA-N 2 1 247.346 1.171 20 0 BDADMP Nc1ccc(N2CCC3(CCCC[NH2+]3)CC2)[nH+]c1 ZINC001165246401 966008412 /nfs/dbraw/zinc/00/84/12/966008412.db2.gz KHKPAXFZOJPFMS-UHFFFAOYSA-N 2 1 246.358 1.776 20 0 BDADMP Nc1ccc(N2CCC(C3C[NH2+]C3)CC2)[nH+]c1 ZINC001165409110 966096808 /nfs/dbraw/zinc/09/68/08/966096808.db2.gz SCFSMNLKMUFRCI-UHFFFAOYSA-N 2 1 232.331 1.100 20 0 BDADMP CC[C@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001235725225 966102206 /nfs/dbraw/zinc/10/22/06/966102206.db2.gz SMXTWJDTJRQJKW-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H]1CN(CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001235725225 966102215 /nfs/dbraw/zinc/10/22/15/966102215.db2.gz SMXTWJDTJRQJKW-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+][C@]12CC[C@H]1CN(Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001235987068 966202690 /nfs/dbraw/zinc/20/26/90/966202690.db2.gz FNZHLVFBAQIPLD-FZMZJTMJSA-N 2 1 242.326 1.486 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)[C@@]1(C)CCCNC1 ZINC001236201936 966307367 /nfs/dbraw/zinc/30/73/67/966307367.db2.gz OTSXGAQNUXOSCZ-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@]1(C)CCCNC1 ZINC001236201936 966307377 /nfs/dbraw/zinc/30/73/77/966307377.db2.gz OTSXGAQNUXOSCZ-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@H+](Cc1cccc(C[NH3+])c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213686 966309881 /nfs/dbraw/zinc/30/98/81/966309881.db2.gz CYKDTPFHEGWXQO-LSDHHAIUSA-N 3 1 247.386 1.847 20 0 BDADMP C[N@@H+](Cc1cccc(C[NH3+])c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213686 966309892 /nfs/dbraw/zinc/30/98/92/966309892.db2.gz CYKDTPFHEGWXQO-LSDHHAIUSA-N 3 1 247.386 1.847 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N(C)C[C@@H]3CC[NH2+]C3)c12 ZINC001166954859 966481907 /nfs/dbraw/zinc/48/19/07/966481907.db2.gz KUQUZOAUGKZPSW-SNVBAGLBSA-N 2 1 245.330 1.312 20 0 BDADMP CCC[N@@H+](CCCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC001236833061 966562303 /nfs/dbraw/zinc/56/23/03/966562303.db2.gz YPTSERGPYSNOIQ-LBPRGKRZSA-N 3 1 213.369 1.047 20 0 BDADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccn3C)C[C@@H]2C1 ZINC001203270240 966588963 /nfs/dbraw/zinc/58/89/63/966588963.db2.gz FPWUPQQJVAOCDD-STQMWFEESA-N 2 1 233.359 1.409 20 0 BDADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccn3C)C[C@@H]2C1 ZINC001203270238 966592848 /nfs/dbraw/zinc/59/28/48/966592848.db2.gz FPWUPQQJVAOCDD-BETUJISGSA-N 2 1 233.359 1.409 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccn3C)C[C@@H]2C1 ZINC001203270238 966592855 /nfs/dbraw/zinc/59/28/55/966592855.db2.gz FPWUPQQJVAOCDD-BETUJISGSA-N 2 1 233.359 1.409 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2C1 ZINC001203270238 966592861 /nfs/dbraw/zinc/59/28/61/966592861.db2.gz FPWUPQQJVAOCDD-BETUJISGSA-N 2 1 233.359 1.409 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccn3C)C[C@@H]2C1 ZINC001203270238 966592868 /nfs/dbraw/zinc/59/28/68/966592868.db2.gz FPWUPQQJVAOCDD-BETUJISGSA-N 2 1 233.359 1.409 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001276428036 966819420 /nfs/dbraw/zinc/81/94/20/966819420.db2.gz BBGFKZFZSDNXKI-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP CCC1(Nc2ccc3[nH]c[nH+]c3c2)C[NH2+]C1 ZINC001168582478 966923193 /nfs/dbraw/zinc/92/31/93/966923193.db2.gz QUJCOGSJMBDMKT-UHFFFAOYSA-N 2 1 216.288 1.727 20 0 BDADMP C[NH+](C)C1CCC([NH2+]C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000715520272 966942353 /nfs/dbraw/zinc/94/23/53/966942353.db2.gz WQAGBCWLSIEAKC-HSBZDZAISA-N 3 1 239.407 1.401 20 0 BDADMP CN1CC[C@@H](C[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715520272 966942358 /nfs/dbraw/zinc/94/23/58/966942358.db2.gz WQAGBCWLSIEAKC-HSBZDZAISA-N 2 1 239.407 1.401 20 0 BDADMP CN(C)c1cc[nH+]cc1Nc1ccc[nH+]c1N ZINC001212391190 967004611 /nfs/dbraw/zinc/00/46/11/967004611.db2.gz IVLCKAJIKJHZMV-UHFFFAOYSA-N 2 1 229.287 1.868 20 0 BDADMP Cc1cc(Nc2c[nH+]c(N)c(C)c2)cc[nH+]1 ZINC001249779597 967054397 /nfs/dbraw/zinc/05/43/97/967054397.db2.gz WMGNRCTWKZIESK-UHFFFAOYSA-N 2 1 214.272 1.841 20 0 BDADMP CS[C@@H](C)CC[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763036 967151011 /nfs/dbraw/zinc/15/10/11/967151011.db2.gz FGSXBBSXQXFMMI-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763036 967151025 /nfs/dbraw/zinc/15/10/25/967151025.db2.gz FGSXBBSXQXFMMI-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204762896 967156214 /nfs/dbraw/zinc/15/62/14/967156214.db2.gz DSZQTWHZXDVMFW-LBPRGKRZSA-N 2 1 212.337 1.415 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204762896 967156227 /nfs/dbraw/zinc/15/62/27/967156227.db2.gz DSZQTWHZXDVMFW-LBPRGKRZSA-N 2 1 212.337 1.415 20 0 BDADMP CS[C@H](C)CC[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204763039 967156477 /nfs/dbraw/zinc/15/64/77/967156477.db2.gz FGSXBBSXQXFMMI-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP CS[C@H](C)CC[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204763039 967156490 /nfs/dbraw/zinc/15/64/90/967156490.db2.gz FGSXBBSXQXFMMI-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCC[N@H+](C)C2)C1 ZINC000715582262 967193183 /nfs/dbraw/zinc/19/31/83/967193183.db2.gz YNLBBUOBMVUPSU-HZSPNIEDSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000715582262 967193197 /nfs/dbraw/zinc/19/31/97/967193197.db2.gz YNLBBUOBMVUPSU-HZSPNIEDSA-N 2 1 239.407 1.543 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000721934327 967259261 /nfs/dbraw/zinc/25/92/61/967259261.db2.gz YIQMFJWXDSDSDA-ODXJTPSBSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1SCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000693561853 967264241 /nfs/dbraw/zinc/26/42/41/967264241.db2.gz KXLZPVWPSHJLMS-XWLWVQCSSA-N 2 1 214.378 1.550 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1C[C@@H]1CCC[N@@H+](C)C1 ZINC001205058216 967314401 /nfs/dbraw/zinc/31/44/01/967314401.db2.gz GPGCOTCRSIAXIG-XQQFMLRXSA-N 2 1 225.380 1.140 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC001205089070 967341247 /nfs/dbraw/zinc/34/12/47/967341247.db2.gz XBIFJCFERLACKK-CYBMUJFWSA-N 3 1 225.380 1.189 20 0 BDADMP Nc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117845 967363338 /nfs/dbraw/zinc/36/33/38/967363338.db2.gz WWSTZWLCBZMZGH-GFCCVEGCSA-N 2 1 237.322 1.721 20 0 BDADMP Nc1ccc(F)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117845 967363347 /nfs/dbraw/zinc/36/33/47/967363347.db2.gz WWSTZWLCBZMZGH-GFCCVEGCSA-N 2 1 237.322 1.721 20 0 BDADMP COc1ccnc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117894 967363588 /nfs/dbraw/zinc/36/35/88/967363588.db2.gz YFTJYCBTERFWBA-NSHDSACASA-N 2 1 235.331 1.403 20 0 BDADMP COc1ccnc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117894 967363595 /nfs/dbraw/zinc/36/35/95/967363595.db2.gz YFTJYCBTERFWBA-NSHDSACASA-N 2 1 235.331 1.403 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001205182750 967409102 /nfs/dbraw/zinc/40/91/02/967409102.db2.gz JSRMLNMMYAAXHI-BXKDBHETSA-N 2 1 230.315 1.484 20 0 BDADMP COC1CCC(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205177623 967411228 /nfs/dbraw/zinc/41/12/28/967411228.db2.gz YSGOAGISEJMLQV-IKWCTNDRSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001205171422 967413560 /nfs/dbraw/zinc/41/35/60/967413560.db2.gz QAJKPBVUFREBPY-DGCLKSJQSA-N 3 1 225.380 1.140 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001205171422 967413568 /nfs/dbraw/zinc/41/35/68/967413568.db2.gz QAJKPBVUFREBPY-DGCLKSJQSA-N 3 1 225.380 1.140 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001205171422 967413574 /nfs/dbraw/zinc/41/35/74/967413574.db2.gz QAJKPBVUFREBPY-DGCLKSJQSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001205171422 967413582 /nfs/dbraw/zinc/41/35/82/967413582.db2.gz QAJKPBVUFREBPY-DGCLKSJQSA-N 2 1 225.380 1.140 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205228632 967427906 /nfs/dbraw/zinc/42/79/06/967427906.db2.gz GRQJESRKPWUBKX-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CCCC2OCCO2)CC1 ZINC001205257140 967447756 /nfs/dbraw/zinc/44/77/56/967447756.db2.gz SOZHHGPFTXYQAA-CYBMUJFWSA-N 2 1 242.363 1.343 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC001205258002 967451605 /nfs/dbraw/zinc/45/16/05/967451605.db2.gz ZUPDHHQHXZKZEJ-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)ccn1 ZINC001205264354 967458334 /nfs/dbraw/zinc/45/83/34/967458334.db2.gz KUACDTJAHRSLKJ-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccn1 ZINC001205264354 967458347 /nfs/dbraw/zinc/45/83/47/967458347.db2.gz KUACDTJAHRSLKJ-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC001205332013 967547085 /nfs/dbraw/zinc/54/70/85/967547085.db2.gz LXCQJHUKFYFFQB-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2c(c1)CCN2 ZINC001205332013 967547087 /nfs/dbraw/zinc/54/70/87/967547087.db2.gz LXCQJHUKFYFFQB-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP COCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545632 967692169 /nfs/dbraw/zinc/69/21/69/967692169.db2.gz KUUUSKGFPMUPBY-LBPRGKRZSA-N 2 1 232.343 1.566 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)n1 ZINC001205558197 967696672 /nfs/dbraw/zinc/69/66/72/967696672.db2.gz CIHSFWJTUNYUGJ-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)n1 ZINC001205558197 967696679 /nfs/dbraw/zinc/69/66/79/967696679.db2.gz CIHSFWJTUNYUGJ-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cnsc2)CC1 ZINC001205578610 967704288 /nfs/dbraw/zinc/70/42/88/967704288.db2.gz GWXSZJXFOFJXLM-LLVKDONJSA-N 2 1 243.351 1.796 20 0 BDADMP COCOCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603668 967718568 /nfs/dbraw/zinc/71/85/68/967718568.db2.gz RWKHIYNGXMHOPD-OLZOCXBDSA-N 2 1 244.379 1.304 20 0 BDADMP COCOCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603669 967721615 /nfs/dbraw/zinc/72/16/15/967721615.db2.gz RWKHIYNGXMHOPD-QWHCGFSZSA-N 2 1 244.379 1.304 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205617854 967724627 /nfs/dbraw/zinc/72/46/27/967724627.db2.gz OOTAITULVKWNSE-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205615986 967726823 /nfs/dbraw/zinc/72/68/23/967726823.db2.gz BLQHGCJLLQTQIP-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205615986 967726834 /nfs/dbraw/zinc/72/68/34/967726834.db2.gz BLQHGCJLLQTQIP-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205615986 967726837 /nfs/dbraw/zinc/72/68/37/967726837.db2.gz BLQHGCJLLQTQIP-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cncs2)CC[C@H]1C[NH3+] ZINC001205617952 967728772 /nfs/dbraw/zinc/72/87/72/967728772.db2.gz PWGXISUHVBILCN-QWRGUYRKSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1C[NH3+] ZINC001205618054 967730220 /nfs/dbraw/zinc/73/02/20/967730220.db2.gz RACLSVKFQUHQRL-AAEUAGOBSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cncs2)CC[C@H]1C[NH3+] ZINC001205617951 967731347 /nfs/dbraw/zinc/73/13/47/967731347.db2.gz PWGXISUHVBILCN-MNOVXSKESA-N 2 1 239.388 1.950 20 0 BDADMP Cc1ncncc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205652530 967739382 /nfs/dbraw/zinc/73/93/82/967739382.db2.gz PYLJFTABMZEPKD-DGCLKSJQSA-N 2 1 248.374 1.592 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000701738531 967817088 /nfs/dbraw/zinc/81/70/88/967817088.db2.gz KUHNESZMROOSBH-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP Cc1ncc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)o1 ZINC001276484282 967814487 /nfs/dbraw/zinc/81/44/87/967814487.db2.gz OJXMCAVTDUMLED-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP CCO[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000701738531 967817083 /nfs/dbraw/zinc/81/70/83/967817083.db2.gz KUHNESZMROOSBH-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)Nc1cc[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162383615 967818148 /nfs/dbraw/zinc/81/81/48/967818148.db2.gz AEBXHUCMXJWTKJ-MNOVXSKESA-N 2 1 249.362 1.979 20 0 BDADMP [NH3+][C@H]1CCC[C@@H](Nc2cc3c(c[nH+]2)CC(=O)N3)C1 ZINC001162396341 967826292 /nfs/dbraw/zinc/82/62/92/967826292.db2.gz YPPGWJSYZARCFS-VHSXEESVSA-N 2 1 246.314 1.258 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001205803900 967828480 /nfs/dbraw/zinc/82/84/80/967828480.db2.gz KISLLIJVTGSCSQ-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CC[C@H]2CCC[NH2+]C2)C1 ZINC001205803900 967828481 /nfs/dbraw/zinc/82/84/81/967828481.db2.gz KISLLIJVTGSCSQ-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+](CCCCCC[NH3+])C1 ZINC001205807043 967830313 /nfs/dbraw/zinc/83/03/13/967830313.db2.gz XLTLPOXJUAYAIX-STQMWFEESA-N 2 1 227.396 1.565 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N(CCCCCC[NH3+])C1 ZINC001205807043 967830318 /nfs/dbraw/zinc/83/03/18/967830318.db2.gz XLTLPOXJUAYAIX-STQMWFEESA-N 2 1 227.396 1.565 20 0 BDADMP CNc1cc[nH+]c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001162452537 967840925 /nfs/dbraw/zinc/84/09/25/967840925.db2.gz FZOVMJJONSLUKC-QWRGUYRKSA-N 2 1 249.362 1.566 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc[nH]c2)C1 ZINC001205827984 967840881 /nfs/dbraw/zinc/84/08/81/967840881.db2.gz IXGVUSVWBQLMFQ-PWSUYJOCSA-N 2 1 207.321 1.574 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc[nH]c2)C1 ZINC001205827984 967840884 /nfs/dbraw/zinc/84/08/84/967840884.db2.gz IXGVUSVWBQLMFQ-PWSUYJOCSA-N 2 1 207.321 1.574 20 0 BDADMP COC1CC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000703882911 967881037 /nfs/dbraw/zinc/88/10/37/967881037.db2.gz YIQMFJWXDSDSDA-XTNFGFQESA-N 2 1 238.375 1.471 20 0 BDADMP CCc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205960121 967905291 /nfs/dbraw/zinc/90/52/91/967905291.db2.gz ZVFAPVZEAGXTPV-ZIAGYGMSSA-N 2 1 234.343 1.143 20 0 BDADMP CCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205960121 967905307 /nfs/dbraw/zinc/90/53/07/967905307.db2.gz ZVFAPVZEAGXTPV-ZIAGYGMSSA-N 2 1 234.343 1.143 20 0 BDADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205966888 967915597 /nfs/dbraw/zinc/91/55/97/967915597.db2.gz CVEXNPBQULTAEH-HUUCEWRRSA-N 2 1 248.370 1.704 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnoc2)CCC[C@H]1C[NH3+] ZINC001205996376 967947114 /nfs/dbraw/zinc/94/71/14/967947114.db2.gz WPTJUUYPYWGMND-JQWIXIFHSA-N 2 1 223.320 1.481 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205996719 967949309 /nfs/dbraw/zinc/94/93/09/967949309.db2.gz XYLQFVLXQNNQCZ-AAEUAGOBSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cn(C)cn2)CCC[C@@H]1C[NH3+] ZINC001205995914 967950007 /nfs/dbraw/zinc/95/00/07/967950007.db2.gz RSGMDVACXMHTGB-VXGBXAGGSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnn2)CCC[C@H]1C[NH3+] ZINC001206005634 967958914 /nfs/dbraw/zinc/95/89/14/967958914.db2.gz YWMQSAJKMIVJPZ-RYUDHWBXSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccns2)CCC[C@H]1C[NH3+] ZINC001206012389 967968319 /nfs/dbraw/zinc/96/83/19/967968319.db2.gz LAIISDODMSMKPU-MNOVXSKESA-N 2 1 239.388 1.950 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2cccnc2)CC[C@@H]1F ZINC001206167072 968101790 /nfs/dbraw/zinc/10/17/90/968101790.db2.gz WUULHLMQCZHEBI-RYUDHWBXSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2cccnc2)CC[C@@H]1F ZINC001206167072 968101803 /nfs/dbraw/zinc/10/18/03/968101803.db2.gz WUULHLMQCZHEBI-RYUDHWBXSA-N 2 1 223.295 1.343 20 0 BDADMP Cc1cnsc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206196955 968124485 /nfs/dbraw/zinc/12/44/85/968124485.db2.gz FICIIRXZBMMBLP-VHSXEESVSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1cnsc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206196955 968124493 /nfs/dbraw/zinc/12/44/93/968124493.db2.gz FICIIRXZBMMBLP-VHSXEESVSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1nonc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206336137 968239315 /nfs/dbraw/zinc/23/93/15/968239315.db2.gz KBVUAOGHUQEHJT-GFCCVEGCSA-N 2 1 238.335 1.329 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1O ZINC001206468419 968323544 /nfs/dbraw/zinc/32/35/44/968323544.db2.gz HSQGIRKZVRKODE-DZGCQCFKSA-N 2 1 246.354 1.315 20 0 BDADMP CCc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206524954 968353154 /nfs/dbraw/zinc/35/31/54/968353154.db2.gz CCAOFUNRQMXZNX-CABZTGNLSA-N 2 1 240.372 1.062 20 0 BDADMP CCc1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206525199 968355714 /nfs/dbraw/zinc/35/57/14/968355714.db2.gz KOWVFHQRGUKMDC-KBPBESRZSA-N 2 1 234.343 1.000 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001206537070 968364556 /nfs/dbraw/zinc/36/45/56/968364556.db2.gz HNGOOGSABBEIFK-RDBSUJKOSA-N 2 1 240.391 1.589 20 0 BDADMP COCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541175 968365229 /nfs/dbraw/zinc/36/52/29/968365229.db2.gz FPOIBFUJQLNGRG-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnc(N)nc2)C1 ZINC001206550258 968374917 /nfs/dbraw/zinc/37/49/17/968374917.db2.gz YSQDISROUSLHEJ-ZDUSSCGKSA-N 2 1 249.362 1.010 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC001206550258 968374924 /nfs/dbraw/zinc/37/49/24/968374924.db2.gz YSQDISROUSLHEJ-ZDUSSCGKSA-N 2 1 249.362 1.010 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccncc2O)C1 ZINC001206555993 968379031 /nfs/dbraw/zinc/37/90/31/968379031.db2.gz LTOSLHZTBVGRRB-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccncc2O)C1 ZINC001206555993 968379038 /nfs/dbraw/zinc/37/90/38/968379038.db2.gz LTOSLHZTBVGRRB-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606410 968416465 /nfs/dbraw/zinc/41/64/65/968416465.db2.gz NBWGZIMDNFKBRJ-CYBMUJFWSA-N 2 1 227.396 1.566 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001206606353 968417013 /nfs/dbraw/zinc/41/70/13/968417013.db2.gz LOENEQPXXQTRJN-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001206606353 968417017 /nfs/dbraw/zinc/41/70/17/968417017.db2.gz LOENEQPXXQTRJN-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001206616849 968420405 /nfs/dbraw/zinc/42/04/05/968420405.db2.gz RKBKPTYFEZRXIF-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP Cc1ncn(C)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640293 968429075 /nfs/dbraw/zinc/42/90/75/968429075.db2.gz IHGZGCHIDVSDTJ-GFCCVEGCSA-N 2 1 236.363 1.289 20 0 BDADMP CC[N@H+]1CCC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206710205 968437708 /nfs/dbraw/zinc/43/77/08/968437708.db2.gz XBAXGOSOLUJWOW-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP CC1(C[NH3+])C[NH+](Cc2cccc(N)c2)C1 ZINC001206730681 968444817 /nfs/dbraw/zinc/44/48/17/968444817.db2.gz WPQNOMXCIOCSBX-UHFFFAOYSA-N 2 1 205.305 1.049 20 0 BDADMP CC(C)N(CCC[NH3+])c1[nH+]cnc2[nH]ccc21 ZINC000705203741 968565008 /nfs/dbraw/zinc/56/50/08/968565008.db2.gz HQLBKBUEWNUPJN-UHFFFAOYSA-N 2 1 233.319 1.522 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985647 968668351 /nfs/dbraw/zinc/66/83/51/968668351.db2.gz ZCKLESAVYSESNO-NDBYEHHHSA-N 2 1 210.365 1.949 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2Cc3ccncc3C2)CC1 ZINC001207398409 968749283 /nfs/dbraw/zinc/74/92/83/968749283.db2.gz NINSOCNSPFGOKO-UHFFFAOYSA-N 2 1 231.343 1.739 20 0 BDADMP C[NH+]1CCC(C[N@H+]2Cc3ccncc3C2)CC1 ZINC001207398409 968749292 /nfs/dbraw/zinc/74/92/92/968749292.db2.gz NINSOCNSPFGOKO-UHFFFAOYSA-N 2 1 231.343 1.739 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CCn3cncc3C2)CC1 ZINC001207398612 968751711 /nfs/dbraw/zinc/75/17/11/968751711.db2.gz COOMATJIGDMMMY-UHFFFAOYSA-N 2 1 234.347 1.041 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCn3cncc3C2)CC1 ZINC001207398612 968751715 /nfs/dbraw/zinc/75/17/15/968751715.db2.gz COOMATJIGDMMMY-UHFFFAOYSA-N 2 1 234.347 1.041 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001207403003 968756785 /nfs/dbraw/zinc/75/67/85/968756785.db2.gz PRVFVKPAVCYRRU-CHWSQXEVSA-N 2 1 224.348 1.191 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207440837 968775413 /nfs/dbraw/zinc/77/54/13/968775413.db2.gz GXEPEHLMWGMRNY-ZDUSSCGKSA-N 2 1 224.348 1.430 20 0 BDADMP CO[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207481534 968791854 /nfs/dbraw/zinc/79/18/54/968791854.db2.gz KKBHTDQGEPAIBN-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479239 968792268 /nfs/dbraw/zinc/79/22/68/968792268.db2.gz DOPKVTRPJHJGDP-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCCC(=O)CC2)CC1 ZINC001207481487 968796877 /nfs/dbraw/zinc/79/68/77/968796877.db2.gz IUUUDRNDMOQQMZ-UHFFFAOYSA-N 2 1 238.375 1.773 20 0 BDADMP CC(=O)[C@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207487655 968802600 /nfs/dbraw/zinc/80/26/00/968802600.db2.gz PYGRVVUIRSNUCB-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1cncnc1 ZINC001207488847 968802787 /nfs/dbraw/zinc/80/27/87/968802787.db2.gz QMGQDNPBCRJTNF-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)c12 ZINC001154974597 968825129 /nfs/dbraw/zinc/82/51/29/968825129.db2.gz FFRRGPZAUPVYDO-ZJUUUORDSA-N 2 1 245.330 1.948 20 0 BDADMP C[NH+]1CCC(C[NH2+]CC(C)(F)F)CC1 ZINC000829300198 968829222 /nfs/dbraw/zinc/82/92/22/968829222.db2.gz PMLTVVQDFVZRAE-UHFFFAOYSA-N 2 1 206.280 1.573 20 0 BDADMP Cc1cc2c(nc[nH+]c2N[C@H]2CCC[C@H]([NH3+])C2)[nH]1 ZINC001154985963 968840192 /nfs/dbraw/zinc/84/01/92/968840192.db2.gz PNASCSWEPSSTCT-UWVGGRQHSA-N 2 1 245.330 1.948 20 0 BDADMP C[N@H+](CC1(C)CCOCC1)C1CC[NH+](C)CC1 ZINC001207965587 968964645 /nfs/dbraw/zinc/96/46/45/968964645.db2.gz WXUCODOLWOFFJW-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CC1(C)CCOCC1)C1CC[NH+](C)CC1 ZINC001207965587 968964658 /nfs/dbraw/zinc/96/46/58/968964658.db2.gz WXUCODOLWOFFJW-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001252789246 968967144 /nfs/dbraw/zinc/96/71/44/968967144.db2.gz IXJPQEDSGYJTMI-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001252789246 968967149 /nfs/dbraw/zinc/96/71/49/968967149.db2.gz IXJPQEDSGYJTMI-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001252808003 968996138 /nfs/dbraw/zinc/99/61/38/968996138.db2.gz AVFVVQZLFSRJTQ-MELADBBJSA-N 2 1 242.407 1.856 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001208114425 969005575 /nfs/dbraw/zinc/00/55/75/969005575.db2.gz WLNBNGBCTNJHHO-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP COC(=O)[C@H](C)[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208109897 969006507 /nfs/dbraw/zinc/00/65/07/969006507.db2.gz VIUHBVRMKDTTHB-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@H](C)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208109897 969006518 /nfs/dbraw/zinc/00/65/18/969006518.db2.gz VIUHBVRMKDTTHB-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP C[NH+](C)CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001208124403 969012689 /nfs/dbraw/zinc/01/26/89/969012689.db2.gz PRYUPWNOGLKBHD-OAHLLOKOSA-N 2 1 247.386 1.537 20 0 BDADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCN(C)C)CC1 ZINC001208126850 969018579 /nfs/dbraw/zinc/01/85/79/969018579.db2.gz LKAUDLIOCWOETH-UHFFFAOYSA-N 2 1 241.423 1.600 20 0 BDADMP C[NH+](C)CCN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC001208126516 969020093 /nfs/dbraw/zinc/02/00/93/969020093.db2.gz JGPUOFXRQAMVEE-OAHLLOKOSA-N 2 1 247.386 1.537 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](OC)C2)CC1 ZINC001208593484 969150034 /nfs/dbraw/zinc/15/00/34/969150034.db2.gz UBRRCRNZCBHYGS-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H](O)C2)CC1 ZINC001208593671 969151813 /nfs/dbraw/zinc/15/18/13/969151813.db2.gz YYWNKXTWMFENHB-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCOC(C)(C)C2)CC1 ZINC001208592771 969152043 /nfs/dbraw/zinc/15/20/43/969152043.db2.gz BKTZWSHDWSIIOG-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001208601676 969155185 /nfs/dbraw/zinc/15/51/85/969155185.db2.gz QPIMWRZXNMPUTD-ZSOGYDGISA-N 2 1 240.366 1.866 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CC3)C2)C1 ZINC001208606456 969157949 /nfs/dbraw/zinc/15/79/49/969157949.db2.gz GNZZVENPURSFBI-GFCCVEGCSA-N 2 1 208.349 1.814 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C[C@]1(C)O ZINC001208606852 969161028 /nfs/dbraw/zinc/16/10/28/969161028.db2.gz HVRZWTCHFREGOG-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C[C@]1(C)O ZINC001208606852 969161032 /nfs/dbraw/zinc/16/10/32/969161032.db2.gz HVRZWTCHFREGOG-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C[C@]1(C)O ZINC001208606852 969161039 /nfs/dbraw/zinc/16/10/39/969161039.db2.gz HVRZWTCHFREGOG-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208613427 969168046 /nfs/dbraw/zinc/16/80/46/969168046.db2.gz UAEWKEOYSBLPLY-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208613427 969168053 /nfs/dbraw/zinc/16/80/53/969168053.db2.gz UAEWKEOYSBLPLY-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@H]1COCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208613427 969168057 /nfs/dbraw/zinc/16/80/57/969168057.db2.gz UAEWKEOYSBLPLY-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@H]1COCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208613427 969168060 /nfs/dbraw/zinc/16/80/60/969168060.db2.gz UAEWKEOYSBLPLY-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCC1CC1)C2 ZINC001208687317 969195922 /nfs/dbraw/zinc/19/59/22/969195922.db2.gz AGYWUKHGOGGPKI-CHWSQXEVSA-N 2 1 208.349 1.670 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CCC[C@@H]1C[NH3+] ZINC001205991349 969203967 /nfs/dbraw/zinc/20/39/67/969203967.db2.gz AEOBVJBARTWUPG-NWDGAFQWSA-N 2 1 236.363 1.227 20 0 BDADMP CCOC(C)(C)C[N@@H+](C)CCC[NH+](C)C ZINC001209070212 969347457 /nfs/dbraw/zinc/34/74/57/969347457.db2.gz OYRYBOKYKKZHEQ-UHFFFAOYSA-N 2 1 216.369 1.685 20 0 BDADMP CCOC(C)(C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001209077968 969348443 /nfs/dbraw/zinc/34/84/43/969348443.db2.gz UXMJFCHCSGJBFT-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209077968 969348435 /nfs/dbraw/zinc/34/84/35/969348435.db2.gz UXMJFCHCSGJBFT-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC(C)(C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001209077968 969348438 /nfs/dbraw/zinc/34/84/38/969348438.db2.gz UXMJFCHCSGJBFT-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CN3CCC1CC3)C2 ZINC001169094455 969386336 /nfs/dbraw/zinc/38/63/36/969386336.db2.gz LOHUIJAPQVOVCS-XGUBFFRZSA-N 2 1 249.402 1.295 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[NH+]3CCC1CC3)C2 ZINC001169094455 969386344 /nfs/dbraw/zinc/38/63/44/969386344.db2.gz LOHUIJAPQVOVCS-XGUBFFRZSA-N 2 1 249.402 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[NH+]3CCC1CC3)C2 ZINC001169094455 969386354 /nfs/dbraw/zinc/38/63/54/969386354.db2.gz LOHUIJAPQVOVCS-XGUBFFRZSA-N 2 1 249.402 1.295 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169094514 969387474 /nfs/dbraw/zinc/38/74/74/969387474.db2.gz MASQDIRDIOPWBJ-PDWCTOEPSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H]([NH3+])c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169100527 969390860 /nfs/dbraw/zinc/39/08/60/969390860.db2.gz KNUCYECRLRXNEO-WYUUTHIRSA-N 2 1 234.347 1.701 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](O)CC1)C2 ZINC001169097521 969393430 /nfs/dbraw/zinc/39/34/30/969393430.db2.gz AYCVRPATHSXXSV-WZNRFSEPSA-N 2 1 238.375 1.505 20 0 BDADMP CCC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098387 969393800 /nfs/dbraw/zinc/39/38/00/969393800.db2.gz HAVQRWIRMGXXNH-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ncccn1)C2 ZINC001169100463 969393885 /nfs/dbraw/zinc/39/38/85/969393885.db2.gz JJUOIQOCARQMRA-CLLJXQQHSA-N 2 1 246.358 1.234 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccnc1)C2 ZINC001169078832 969397512 /nfs/dbraw/zinc/39/75/12/969397512.db2.gz ICMHXMJFPIFSGH-ZSOGYDGISA-N 2 1 231.343 1.796 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccnc1)C2 ZINC001169078832 969397523 /nfs/dbraw/zinc/39/75/23/969397523.db2.gz ICMHXMJFPIFSGH-ZSOGYDGISA-N 2 1 231.343 1.796 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001253785390 969407028 /nfs/dbraw/zinc/40/70/28/969407028.db2.gz UQGVZXMFVIYDAB-YIYPIFLZSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)CCO)C2 ZINC001169090634 969410590 /nfs/dbraw/zinc/41/05/90/969410590.db2.gz JVZVXEGJBSMFFP-ZSBIGDGJSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@H]1CO)C2 ZINC001169120204 969413803 /nfs/dbraw/zinc/41/38/03/969413803.db2.gz ZLXBJBRJAXXBOD-YHQUGGNUSA-N 2 1 238.375 1.362 20 0 BDADMP CN(CCC[NH+](C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122999 969419057 /nfs/dbraw/zinc/41/90/57/969419057.db2.gz GZESOQTZEBBQLC-WDNDVIMCSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1CO)C2 ZINC001169124024 969420370 /nfs/dbraw/zinc/42/03/70/969420370.db2.gz PKYOXNMDIBBQHQ-RQJABVFESA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1CO)C2 ZINC001169124024 969420375 /nfs/dbraw/zinc/42/03/75/969420375.db2.gz PKYOXNMDIBBQHQ-RQJABVFESA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H]1CO)C2 ZINC001169124024 969420381 /nfs/dbraw/zinc/42/03/81/969420381.db2.gz PKYOXNMDIBBQHQ-RQJABVFESA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H]1CO)C2 ZINC001169124024 969420386 /nfs/dbraw/zinc/42/03/86/969420386.db2.gz PKYOXNMDIBBQHQ-RQJABVFESA-N 2 1 238.375 1.458 20 0 BDADMP CO[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125452 969424961 /nfs/dbraw/zinc/42/49/61/969424961.db2.gz IPKBERFUHPEWEF-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125452 969424964 /nfs/dbraw/zinc/42/49/64/969424964.db2.gz IPKBERFUHPEWEF-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125452 969424972 /nfs/dbraw/zinc/42/49/72/969424972.db2.gz IPKBERFUHPEWEF-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124924 969425025 /nfs/dbraw/zinc/42/50/25/969425025.db2.gz HDVTWVTYNWWWPY-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124924 969425026 /nfs/dbraw/zinc/42/50/26/969425026.db2.gz HDVTWVTYNWWWPY-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124924 969425030 /nfs/dbraw/zinc/42/50/30/969425030.db2.gz HDVTWVTYNWWWPY-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(O)CC1)C2 ZINC001169125294 969426500 /nfs/dbraw/zinc/42/65/00/969426500.db2.gz YKXLTNPCQWBRSZ-GDNZZTSVSA-N 2 1 224.348 1.068 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001169126972 969434867 /nfs/dbraw/zinc/43/48/67/969434867.db2.gz YNYABJPYUYOPNU-RKQHYHRCSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1O ZINC001169126972 969434875 /nfs/dbraw/zinc/43/48/75/969434875.db2.gz YNYABJPYUYOPNU-RKQHYHRCSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1O ZINC001169126972 969434886 /nfs/dbraw/zinc/43/48/86/969434886.db2.gz YNYABJPYUYOPNU-RKQHYHRCSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H](CO)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109458 969443291 /nfs/dbraw/zinc/44/32/91/969443291.db2.gz IRSHXANFIFOKOE-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CCC[C@H]3C1)C2 ZINC001169139636 969447122 /nfs/dbraw/zinc/44/71/22/969447122.db2.gz CNJIRVOYFBDMIX-LJISPDSOSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC001169139636 969447127 /nfs/dbraw/zinc/44/71/27/969447127.db2.gz CNJIRVOYFBDMIX-LJISPDSOSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001169139636 969447129 /nfs/dbraw/zinc/44/71/29/969447129.db2.gz CNJIRVOYFBDMIX-LJISPDSOSA-N 2 1 249.402 1.392 20 0 BDADMP C[N@@H+](CC1(C)COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142870 969460247 /nfs/dbraw/zinc/46/02/47/969460247.db2.gz WZJRGODHESDCBB-CLLJXQQHSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](CC1(C)COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142870 969460263 /nfs/dbraw/zinc/46/02/63/969460263.db2.gz WZJRGODHESDCBB-CLLJXQQHSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](CC1(C)COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142870 969460270 /nfs/dbraw/zinc/46/02/70/969460270.db2.gz WZJRGODHESDCBB-CLLJXQQHSA-N 2 1 238.375 1.580 20 0 BDADMP Cc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)nc(N)[nH+]1 ZINC000690358578 969474981 /nfs/dbraw/zinc/47/49/81/969474981.db2.gz TYHQADWVURZGDI-SNVBAGLBSA-N 2 1 249.362 1.652 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CC[C@@H]3C1)C2 ZINC001169161976 969478651 /nfs/dbraw/zinc/47/86/51/969478651.db2.gz QZNBGRHYBZGGGW-XJFOESAGSA-N 2 1 235.375 1.002 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@@H+]3CC[C@@H]3C1)C2 ZINC001169161976 969478656 /nfs/dbraw/zinc/47/86/56/969478656.db2.gz QZNBGRHYBZGGGW-XJFOESAGSA-N 2 1 235.375 1.002 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@H+]3CC[C@@H]3C1)C2 ZINC001169161976 969478660 /nfs/dbraw/zinc/47/86/60/969478660.db2.gz QZNBGRHYBZGGGW-XJFOESAGSA-N 2 1 235.375 1.002 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CC[C@H]3C1)C2 ZINC001169161974 969480555 /nfs/dbraw/zinc/48/05/55/969480555.db2.gz QZNBGRHYBZGGGW-RFQIPJPRSA-N 2 1 235.375 1.002 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@@H+]3CC[C@H]3C1)C2 ZINC001169161974 969480558 /nfs/dbraw/zinc/48/05/58/969480558.db2.gz QZNBGRHYBZGGGW-RFQIPJPRSA-N 2 1 235.375 1.002 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@H+]3CC[C@H]3C1)C2 ZINC001169161974 969480564 /nfs/dbraw/zinc/48/05/64/969480564.db2.gz QZNBGRHYBZGGGW-RFQIPJPRSA-N 2 1 235.375 1.002 20 0 BDADMP CCCC[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC001169224202 969493395 /nfs/dbraw/zinc/49/33/95/969493395.db2.gz COVXWEAKFUNJRX-ZDUSSCGKSA-N 2 1 228.380 1.611 20 0 BDADMP CC[NH+]1CCC([NH2+]C(C)(C)C(C)(C)O)CC1 ZINC001169241342 969529428 /nfs/dbraw/zinc/52/94/28/969529428.db2.gz VPHPTZOWXUUHOC-UHFFFAOYSA-N 2 1 228.380 1.610 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@](C)(O)[C@@H](C)C2)CC1 ZINC001169245212 969530968 /nfs/dbraw/zinc/53/09/68/969530968.db2.gz BUGOXABEIUXGBK-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@](C)(O)[C@@H](C)C2)CC1 ZINC001169245212 969530976 /nfs/dbraw/zinc/53/09/76/969530976.db2.gz BUGOXABEIUXGBK-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP COC[C@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209728979 969587271 /nfs/dbraw/zinc/58/72/71/969587271.db2.gz YFMMPHIQIUTTNO-LLVKDONJSA-N 2 1 221.304 1.105 20 0 BDADMP COC[C@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209728979 969587278 /nfs/dbraw/zinc/58/72/78/969587278.db2.gz YFMMPHIQIUTTNO-LLVKDONJSA-N 2 1 221.304 1.105 20 0 BDADMP CC1(C)CC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733983 969592312 /nfs/dbraw/zinc/59/23/12/969592312.db2.gz JNTZRRIYPVFUJU-UHFFFAOYSA-N 2 1 205.305 1.726 20 0 BDADMP CC1(C)CC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733983 969592317 /nfs/dbraw/zinc/59/23/17/969592317.db2.gz JNTZRRIYPVFUJU-UHFFFAOYSA-N 2 1 205.305 1.726 20 0 BDADMP Nc1cc[nH+]cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001209733944 969595998 /nfs/dbraw/zinc/59/59/98/969595998.db2.gz IVMOLEDSYNFVSV-CYBMUJFWSA-N 2 1 246.358 1.164 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001209737793 969598774 /nfs/dbraw/zinc/59/87/74/969598774.db2.gz RFXICPSOPZOYLT-GWCFXTLKSA-N 2 1 233.315 1.105 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001209737793 969598780 /nfs/dbraw/zinc/59/87/80/969598780.db2.gz RFXICPSOPZOYLT-GWCFXTLKSA-N 2 1 233.315 1.105 20 0 BDADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1cnccc1N ZINC001209736121 969600557 /nfs/dbraw/zinc/60/05/57/969600557.db2.gz DGJUGWOGXKPDLE-GFCCVEGCSA-N 2 1 235.331 1.229 20 0 BDADMP CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209736121 969600558 /nfs/dbraw/zinc/60/05/58/969600558.db2.gz DGJUGWOGXKPDLE-GFCCVEGCSA-N 2 1 235.331 1.229 20 0 BDADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209736121 969600560 /nfs/dbraw/zinc/60/05/60/969600560.db2.gz DGJUGWOGXKPDLE-GFCCVEGCSA-N 2 1 235.331 1.229 20 0 BDADMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCC2(CC2)CC1 ZINC001254434650 969625765 /nfs/dbraw/zinc/62/57/65/969625765.db2.gz PUSNYGDEKZCEQJ-SNVBAGLBSA-N 2 1 240.347 1.047 20 0 BDADMP CCC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254504003 969647464 /nfs/dbraw/zinc/64/74/64/969647464.db2.gz QGJHOOUSAAIGOE-VXGBXAGGSA-N 2 1 214.353 1.221 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2CC(F)C2)CC1 ZINC001254497168 969659027 /nfs/dbraw/zinc/65/90/27/969659027.db2.gz HFXMCIWAVABMMS-HSOILSAZSA-N 2 1 200.301 1.561 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC001254500618 969663219 /nfs/dbraw/zinc/66/32/19/969663219.db2.gz WSRMGWAYPIFDPV-UTUOFQBUSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1cncnc1 ZINC001254502529 969668347 /nfs/dbraw/zinc/66/83/47/969668347.db2.gz FHUBZEGYSCYQTQ-DGCLKSJQSA-N 2 1 234.347 1.612 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cncnc1 ZINC001254502529 969668354 /nfs/dbraw/zinc/66/83/54/969668354.db2.gz FHUBZEGYSCYQTQ-DGCLKSJQSA-N 2 1 234.347 1.612 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC001254506244 969673093 /nfs/dbraw/zinc/67/30/93/969673093.db2.gz QAFFWPJFXMPVKV-GXTWGEPZSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ncccn2)CC1 ZINC001254505903 969674142 /nfs/dbraw/zinc/67/41/42/969674142.db2.gz LLLSXFPIWKTPRK-LBPRGKRZSA-N 2 1 234.347 1.093 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccnc(F)c2)CC1 ZINC001254507169 969674497 /nfs/dbraw/zinc/67/44/97/969674497.db2.gz IIWKDABGFXOWSU-GFCCVEGCSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccnc(F)c2)CC1 ZINC001254507169 969674504 /nfs/dbraw/zinc/67/45/04/969674504.db2.gz IIWKDABGFXOWSU-GFCCVEGCSA-N 2 1 237.322 1.795 20 0 BDADMP C[NH+](C)CCC(C)(C)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254506716 969675419 /nfs/dbraw/zinc/67/54/19/969675419.db2.gz YIVGSMRSUUBWJI-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254506716 969675425 /nfs/dbraw/zinc/67/54/25/969675425.db2.gz YIVGSMRSUUBWJI-CYBMUJFWSA-N 3 1 241.423 1.791 20 0 BDADMP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254506716 969675430 /nfs/dbraw/zinc/67/54/30/969675430.db2.gz YIVGSMRSUUBWJI-CYBMUJFWSA-N 3 1 241.423 1.791 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001254511519 969678225 /nfs/dbraw/zinc/67/82/25/969678225.db2.gz BKKYRXVMZKGOHF-WOPDTQHZSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001254511519 969678227 /nfs/dbraw/zinc/67/82/27/969678227.db2.gz BKKYRXVMZKGOHF-WOPDTQHZSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2ccncc2)CC1 ZINC001254514033 969688295 /nfs/dbraw/zinc/68/82/95/969688295.db2.gz IOSFZCKXGDZUBC-UONOGXRCSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCOC(C)(C)C2)CC1 ZINC001254515668 969692207 /nfs/dbraw/zinc/69/22/07/969692207.db2.gz ANXAPBOVIOEDRD-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCOC(C)(C)C2)CC1 ZINC001254515668 969692217 /nfs/dbraw/zinc/69/22/17/969692217.db2.gz ANXAPBOVIOEDRD-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCOC(C)(C)C2)CC1 ZINC001254515668 969692227 /nfs/dbraw/zinc/69/22/27/969692227.db2.gz ANXAPBOVIOEDRD-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCOC(C)(C)C2)CC1 ZINC001254515668 969692235 /nfs/dbraw/zinc/69/22/35/969692235.db2.gz ANXAPBOVIOEDRD-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@H](n2ncc3c2CC[NH2+]C3)CC1 ZINC001254518976 969697475 /nfs/dbraw/zinc/69/74/75/969697475.db2.gz FVRYOKFKZYSHKV-LBPRGKRZSA-N 2 1 234.347 1.186 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[NH+]3CCC[C@H]3C2)CC1 ZINC001254522958 969708672 /nfs/dbraw/zinc/70/86/72/969708672.db2.gz LCMUDPQXVCYXAJ-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001254522958 969708683 /nfs/dbraw/zinc/70/86/83/969708683.db2.gz LCMUDPQXVCYXAJ-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@@H](N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001254522958 969708690 /nfs/dbraw/zinc/70/86/90/969708690.db2.gz LCMUDPQXVCYXAJ-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CCCO[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254524697 969718590 /nfs/dbraw/zinc/71/85/90/969718590.db2.gz YTCPVYPCMFJMPB-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254524697 969718598 /nfs/dbraw/zinc/71/85/98/969718598.db2.gz YTCPVYPCMFJMPB-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524697 969718603 /nfs/dbraw/zinc/71/86/03/969718603.db2.gz YTCPVYPCMFJMPB-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254527523 969720411 /nfs/dbraw/zinc/72/04/11/969720411.db2.gz ZBPMIKUEVFVZAE-RWMBFGLXSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254527523 969720421 /nfs/dbraw/zinc/72/04/21/969720421.db2.gz ZBPMIKUEVFVZAE-RWMBFGLXSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254527523 969720434 /nfs/dbraw/zinc/72/04/34/969720434.db2.gz ZBPMIKUEVFVZAE-RWMBFGLXSA-N 2 1 208.349 1.955 20 0 BDADMP CC[N@@H+](CCC(=O)OC)[C@H]1CCC[NH+](C)CC1 ZINC001254532084 969726920 /nfs/dbraw/zinc/72/69/20/969726920.db2.gz OUAYGQMJDFWNGD-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CCC(=O)OC)[C@H]1CCC[N@H+](C)CC1 ZINC001254532084 969726926 /nfs/dbraw/zinc/72/69/26/969726926.db2.gz OUAYGQMJDFWNGD-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CCC(=O)OC)[C@H]1CCC[N@@H+](C)CC1 ZINC001254532084 969726935 /nfs/dbraw/zinc/72/69/35/969726935.db2.gz OUAYGQMJDFWNGD-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]2CF)CC1 ZINC001254530811 969733223 /nfs/dbraw/zinc/73/32/23/969733223.db2.gz BUFWPDCRDRUVNQ-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]2CF)CC1 ZINC001254530811 969733205 /nfs/dbraw/zinc/73/32/05/969733205.db2.gz BUFWPDCRDRUVNQ-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]2CF)CC1 ZINC001254530811 969733214 /nfs/dbraw/zinc/73/32/14/969733214.db2.gz BUFWPDCRDRUVNQ-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP c1cn2cccc(NCC[C@H]3CCC[NH2+]3)c2[nH+]1 ZINC001169563870 969758174 /nfs/dbraw/zinc/75/81/74/969758174.db2.gz FFWAQJVLZIFVDB-LLVKDONJSA-N 2 1 230.315 1.888 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(COc2cccnc2)CC1 ZINC001210029224 969765573 /nfs/dbraw/zinc/76/55/73/969765573.db2.gz SGRAHFIYYFPMHJ-LBPRGKRZSA-N 2 1 249.358 1.520 20 0 BDADMP CC(C)[N@H+](CCC[NH3+])[C@@H]1CC2CCN(CC2)C1 ZINC001254835612 969798432 /nfs/dbraw/zinc/79/84/32/969798432.db2.gz HHNBSTCVRXTLRI-CQSZACIVSA-N 2 1 239.407 1.530 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC2CCN(CC2)C1 ZINC001254835612 969798433 /nfs/dbraw/zinc/79/84/33/969798433.db2.gz HHNBSTCVRXTLRI-CQSZACIVSA-N 2 1 239.407 1.530 20 0 BDADMP C[C@@H]1CN([C@@H]2CC3CC[NH+](CC3)C2)CC[N@H+]1C ZINC001254860308 969810010 /nfs/dbraw/zinc/81/00/10/969810010.db2.gz KNYJORMJLOAOOY-TZMCWYRMSA-N 2 1 237.391 1.107 20 0 BDADMP CCC[N@@H+](CCC[NH3+])C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254922874 969821253 /nfs/dbraw/zinc/82/12/53/969821253.db2.gz XCMSSRAECNZVHO-RYUDHWBXSA-N 2 1 238.375 1.805 20 0 BDADMP C[NH+](C)CCC(C)(C)Nc1cc[nH+]c(CN)c1 ZINC001169718385 969832302 /nfs/dbraw/zinc/83/23/02/969832302.db2.gz LYCZPWNPRKTWTB-UHFFFAOYSA-N 2 1 236.363 1.683 20 0 BDADMP Cc1ncc2n1CC[N@@H+](C1CCSCC1)C2 ZINC001255088919 969924907 /nfs/dbraw/zinc/92/49/07/969924907.db2.gz IMZSYJGPRPGTRA-UHFFFAOYSA-N 2 1 237.372 1.903 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C1CCSCC1 ZINC001255088657 969925823 /nfs/dbraw/zinc/92/58/23/969925823.db2.gz YEOMEUAWHSSCQK-UHFFFAOYSA-N 2 1 216.394 1.766 20 0 BDADMP CN1CCC[C@@H]2C[N@H+](C3CCSCC3)C[C@H]21 ZINC001255094767 969932810 /nfs/dbraw/zinc/93/28/10/969932810.db2.gz KHHZPYNSOPVNQW-DGCLKSJQSA-N 2 1 240.416 1.908 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCSC1 ZINC001255268467 970015629 /nfs/dbraw/zinc/01/56/29/970015629.db2.gz KJXUJPRSRUPLNK-JTQLQIEISA-N 2 1 202.367 1.551 20 0 BDADMP COc1cc(-n2cnc(C)c2N)cc(C)n1 ZINC001210779073 970028832 /nfs/dbraw/zinc/02/88/32/970028832.db2.gz FPZCELMRBOKGAK-UHFFFAOYSA-N 2 1 218.260 1.475 20 0 BDADMP CN(c1cc2[nH+]c[nH]c2cc1F)C(C)(C)C[NH3+] ZINC001170060131 970111490 /nfs/dbraw/zinc/11/14/90/970111490.db2.gz IACDHMPTMLCZSV-UHFFFAOYSA-N 2 1 236.294 1.876 20 0 BDADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(C[NH3+])CC2)C1 ZINC001255348168 970123972 /nfs/dbraw/zinc/12/39/72/970123972.db2.gz BUASFLZOOIIJGC-MNOVXSKESA-N 2 1 240.347 1.189 20 0 BDADMP C[N@H+]1CC[C@@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001255413090 970133936 /nfs/dbraw/zinc/13/39/36/970133936.db2.gz XBEOCEXANNDYEA-SNVBAGLBSA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@H](N(C(N)=[NH2+])c2ccccc2F)C1 ZINC001255415557 970135303 /nfs/dbraw/zinc/13/53/03/970135303.db2.gz KPRMSPWFHYUCRA-VIFPVBQESA-N 2 1 236.294 1.230 20 0 BDADMP C[N@H+]1CC[C@H](n2cnc3cccc(C[NH3+])c32)C1 ZINC001255419424 970141375 /nfs/dbraw/zinc/14/13/75/970141375.db2.gz HJNBZBNPRCWBFQ-NSHDSACASA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001255419942 970142731 /nfs/dbraw/zinc/14/27/31/970142731.db2.gz JTRPFZXTIXVMLV-CYBMUJFWSA-N 2 1 219.332 1.304 20 0 BDADMP C[N@H+]1CC[C@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001255419943 970144216 /nfs/dbraw/zinc/14/42/16/970144216.db2.gz JTRPFZXTIXVMLV-ZDUSSCGKSA-N 2 1 219.332 1.304 20 0 BDADMP C[NH2+]Cc1ccc(N[C@H]2CC[N@@H+](C)C2)cc1 ZINC001255435044 970161507 /nfs/dbraw/zinc/16/15/07/970161507.db2.gz BEGSZSCKEJFZMU-ZDUSSCGKSA-N 2 1 219.332 1.522 20 0 BDADMP CCCCC[NH+]1CCN([C@@H]2CC[N@@H+](C)C2)CC1 ZINC001255437259 970164155 /nfs/dbraw/zinc/16/41/55/970164155.db2.gz ZLQDBLVEHBZZNP-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@H]([NH3+])c1nccn1[C@@H]1CCC[N@@H+](C)C1 ZINC001255466199 970193940 /nfs/dbraw/zinc/19/39/40/970193940.db2.gz IYDRKRMTTOCQGP-VHSXEESVSA-N 2 1 208.309 1.170 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001255472331 970202192 /nfs/dbraw/zinc/20/21/92/970202192.db2.gz UGGLZQBWUWDNFR-JSGCOSHPSA-N 2 1 245.370 1.991 20 0 BDADMP CC[NH+](CC)CCNc1nc(N)cc(C)[nH+]1 ZINC000201528438 970206372 /nfs/dbraw/zinc/20/63/72/970206372.db2.gz GMCWPOMYCJCLSF-UHFFFAOYSA-N 2 1 223.324 1.121 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255489836 970240505 /nfs/dbraw/zinc/24/05/05/970240505.db2.gz QPPHAQBPCXCIOF-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@@H+](C1CC1)[C@H]1CCN([C@@H]2CCC[NH+](C)C2)C1 ZINC001255492886 970252007 /nfs/dbraw/zinc/25/20/07/970252007.db2.gz NDOWYYFYJBIYGB-UONOGXRCSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)[C@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC001255492886 970252017 /nfs/dbraw/zinc/25/20/17/970252017.db2.gz NDOWYYFYJBIYGB-UONOGXRCSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)[C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255492886 970252019 /nfs/dbraw/zinc/25/20/19/970252019.db2.gz NDOWYYFYJBIYGB-UONOGXRCSA-N 2 1 237.391 1.249 20 0 BDADMP C[N@H+]1CC[C@]2(CCN([C@H]3CCC[NH+](C)C3)C2)C1 ZINC001255492624 970255448 /nfs/dbraw/zinc/25/54/48/970255448.db2.gz IYUAJWMTJZESDD-KBPBESRZSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001170125087 970366142 /nfs/dbraw/zinc/36/61/42/970366142.db2.gz JMWQNJHVEAWRMC-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662484 970443184 /nfs/dbraw/zinc/44/31/84/970443184.db2.gz MJGGDWDNFPIDTL-ODWCKFRGSA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662484 970443199 /nfs/dbraw/zinc/44/31/99/970443199.db2.gz MJGGDWDNFPIDTL-ODWCKFRGSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H](CO)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255671962 970451665 /nfs/dbraw/zinc/45/16/65/970451665.db2.gz SCVCQNCPAGDUEK-RLAWYHOSSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH+]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255674406 970452162 /nfs/dbraw/zinc/45/21/62/970452162.db2.gz SIIUCMHNGYLTJW-PBWFPOADSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673925 970452614 /nfs/dbraw/zinc/45/26/14/970452614.db2.gz IDEZLXSXBAYSQH-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673925 970452624 /nfs/dbraw/zinc/45/26/24/970452624.db2.gz IDEZLXSXBAYSQH-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673925 970452632 /nfs/dbraw/zinc/45/26/32/970452632.db2.gz IDEZLXSXBAYSQH-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673925 970452636 /nfs/dbraw/zinc/45/26/36/970452636.db2.gz IDEZLXSXBAYSQH-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])CCO1 ZINC001170163765 970517007 /nfs/dbraw/zinc/51/70/07/970517007.db2.gz ALCQJIXXKOVUIS-NXEZZACHSA-N 2 1 200.326 1.271 20 0 BDADMP Cc1nccc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000351400092 970547037 /nfs/dbraw/zinc/54/70/37/970547037.db2.gz RHFHREAPUHOAFG-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CSCCS1)[C@@H]1CCC[NH2+]1 ZINC000400373681 970583025 /nfs/dbraw/zinc/58/30/25/970583025.db2.gz HVBHDLSDRBXYDG-DCAQKATOSA-N 2 1 246.445 1.565 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH+]1CC(C2COC2)C1 ZINC001255955171 970590910 /nfs/dbraw/zinc/59/09/10/970590910.db2.gz PLBBOKLGZNNSDX-LBPRGKRZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCOC ZINC001255954940 970591053 /nfs/dbraw/zinc/59/10/53/970591053.db2.gz LHYXPXWTFIOWGM-GFCCVEGCSA-N 2 1 216.369 1.685 20 0 BDADMP FC(F)(F)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000304455873 970596470 /nfs/dbraw/zinc/59/64/70/970596470.db2.gz WXVVQMJOKWLPBM-SNVBAGLBSA-N 2 1 236.281 1.870 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066809 970631777 /nfs/dbraw/zinc/63/17/77/970631777.db2.gz RXFVFCZQOOHJBF-SMDDNHRTSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CCCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073825 970639249 /nfs/dbraw/zinc/63/92/49/970639249.db2.gz ZWGYYMMPZZZCPG-UHFFFAOYSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2cncs2)CC1 ZINC001256197266 970688225 /nfs/dbraw/zinc/68/82/25/970688225.db2.gz CYAFLNGWFMAOCU-UHFFFAOYSA-N 2 1 225.361 1.369 20 0 BDADMP C[NH+]1CCC([NH2+]C2(C3CCOCC3)CC2)CC1 ZINC001256195368 970690063 /nfs/dbraw/zinc/69/00/63/970690063.db2.gz PMDAFTGILVKEDW-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2Cc3ccc(F)cc3C2)CC1 ZINC001256201889 970696334 /nfs/dbraw/zinc/69/63/34/970696334.db2.gz SDBBCMWJUYVMCZ-HNNXBMFYSA-N 2 1 248.345 1.977 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001256203317 970702734 /nfs/dbraw/zinc/70/27/34/970702734.db2.gz VLCMVDRDLWERMT-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC([N@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001256203317 970702743 /nfs/dbraw/zinc/70/27/43/970702743.db2.gz VLCMVDRDLWERMT-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2cccnc21 ZINC000401838947 970739491 /nfs/dbraw/zinc/73/94/91/970739491.db2.gz MNOJPDBMYBSZJZ-CYBMUJFWSA-N 2 1 242.326 1.635 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401867995 970742131 /nfs/dbraw/zinc/74/21/31/970742131.db2.gz AEFOSSZTUWHUGF-AGIUHOORSA-N 2 1 226.364 1.484 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001222528594 972550081 /nfs/dbraw/zinc/55/00/81/972550081.db2.gz XRSLGYYVXXYWBM-LBPRGKRZSA-N 3 1 243.370 1.091 20 0 BDADMP CN1CCC[C@H](C[NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001222528594 972550102 /nfs/dbraw/zinc/55/01/02/972550102.db2.gz XRSLGYYVXXYWBM-LBPRGKRZSA-N 2 1 243.370 1.091 20 0 BDADMP C[C@H](Cc1ccccn1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246540334 972557283 /nfs/dbraw/zinc/55/72/83/972557283.db2.gz GITUMLLBQLFWBR-OLZOCXBDSA-N 2 1 233.359 1.826 20 0 BDADMP CCc1nn(C)cc1C[NH2+]CC[C@@H](C)[NH2+]C ZINC001327414447 972572498 /nfs/dbraw/zinc/57/24/98/972572498.db2.gz CBGAIGWJVOQUNS-SNVBAGLBSA-N 2 1 224.352 1.070 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@](C)(O)C2)C[NH2+]1 ZINC001246545687 972651456 /nfs/dbraw/zinc/65/14/56/972651456.db2.gz CILHGTSPYLHCDM-FRRDWIJNSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@H]1CCCSC1 ZINC001246547342 972672540 /nfs/dbraw/zinc/67/25/40/972672540.db2.gz PEZGFINSXBUECX-DCAQKATOSA-N 2 1 214.378 1.694 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@H]1CCCSC1 ZINC001246547342 972672549 /nfs/dbraw/zinc/67/25/49/972672549.db2.gz PEZGFINSXBUECX-DCAQKATOSA-N 2 1 214.378 1.694 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246548091 972682378 /nfs/dbraw/zinc/68/23/78/972682378.db2.gz QPGUQTIHCMLDCA-GFCCVEGCSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246552785 972739652 /nfs/dbraw/zinc/73/96/52/972739652.db2.gz VEVBGGIMLQNCJZ-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556109 972762577 /nfs/dbraw/zinc/76/25/77/972762577.db2.gz YKIHAHFHOBAKJM-JHJVBQTASA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556109 972762582 /nfs/dbraw/zinc/76/25/82/972762582.db2.gz YKIHAHFHOBAKJM-JHJVBQTASA-N 3 1 225.380 1.330 20 0 BDADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCSC2)CCC1(F)F ZINC001246559955 972788140 /nfs/dbraw/zinc/78/81/40/972788140.db2.gz OIKCSATXQAZZKT-DTWKUNHWSA-N 2 1 236.331 1.408 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@]1(C)O ZINC001246566047 972805918 /nfs/dbraw/zinc/80/59/18/972805918.db2.gz RJPDQIQJFHSFCG-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP CN(Cc1[nH+]cn2ccccc12)[C@@H]1CC[N@H+](C)C1 ZINC001144622884 972893818 /nfs/dbraw/zinc/89/38/18/972893818.db2.gz PDOQSOFLKIUTAH-GFCCVEGCSA-N 2 1 244.342 1.470 20 0 BDADMP CN(Cc1[nH+]cn2ccccc12)[C@@H]1CC[N@@H+](C)C1 ZINC001144622884 972893825 /nfs/dbraw/zinc/89/38/25/972893825.db2.gz PDOQSOFLKIUTAH-GFCCVEGCSA-N 2 1 244.342 1.470 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246578481 972898888 /nfs/dbraw/zinc/89/88/88/972898888.db2.gz VKLPDSQLYVPGLA-RDBSUJKOSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580421 972922241 /nfs/dbraw/zinc/92/22/41/972922241.db2.gz GNZKRAHJJXCWBR-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580421 972922249 /nfs/dbraw/zinc/92/22/49/972922249.db2.gz GNZKRAHJJXCWBR-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246582942 972951164 /nfs/dbraw/zinc/95/11/64/972951164.db2.gz PILGMMDKILXTTP-VXGBXAGGSA-N 3 1 213.369 1.045 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246582942 972951173 /nfs/dbraw/zinc/95/11/73/972951173.db2.gz PILGMMDKILXTTP-VXGBXAGGSA-N 3 1 213.369 1.045 20 0 BDADMP CC1CC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000231788131 972956709 /nfs/dbraw/zinc/95/67/09/972956709.db2.gz CYERPWFCIOSKDD-TUUUFIMRSA-N 2 1 224.348 1.238 20 0 BDADMP CC1CC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000231788131 972956717 /nfs/dbraw/zinc/95/67/17/972956717.db2.gz CYERPWFCIOSKDD-TUUUFIMRSA-N 2 1 224.348 1.238 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246585732 972963950 /nfs/dbraw/zinc/96/39/50/972963950.db2.gz QFNCUKLFWVLWIJ-DCAQKATOSA-N 2 1 246.420 1.158 20 0 BDADMP CSCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246587520 972990700 /nfs/dbraw/zinc/99/07/00/972990700.db2.gz OSSYFWLFMXIZNA-AXFHLTTASA-N 2 1 234.384 1.889 20 0 BDADMP CSCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246587520 972990711 /nfs/dbraw/zinc/99/07/11/972990711.db2.gz OSSYFWLFMXIZNA-AXFHLTTASA-N 2 1 234.384 1.889 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246591698 972996394 /nfs/dbraw/zinc/99/63/94/972996394.db2.gz NNZMVYXBJYZYJS-REWJHTLYSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH2+]CC2)CCC[C@@]1(C)O ZINC001246590318 972998898 /nfs/dbraw/zinc/99/88/98/972998898.db2.gz JCRLEPLEGDCBOX-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246634990 973048267 /nfs/dbraw/zinc/04/82/67/973048267.db2.gz PNAYXLPNNQXTLN-MELADBBJSA-N 3 1 249.402 1.345 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246863750 973191892 /nfs/dbraw/zinc/19/18/92/973191892.db2.gz LXSGXFWWTQZCIM-MELADBBJSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246863750 973191907 /nfs/dbraw/zinc/19/19/07/973191907.db2.gz LXSGXFWWTQZCIM-MELADBBJSA-N 3 1 239.407 1.304 20 0 BDADMP [NH3+]C/C=C/CNc1nc(N2CCCCC2)cc[nH+]1 ZINC001160983015 973221185 /nfs/dbraw/zinc/22/11/85/973221185.db2.gz OHQKXHHDXQWNDJ-NSCUHMNNSA-N 2 1 247.346 1.394 20 0 BDADMP C[C@@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246866985 973226926 /nfs/dbraw/zinc/22/69/26/973226926.db2.gz LPYGZTLPUXUOJJ-YPMHNXCESA-N 3 1 248.374 1.663 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)[nH]n1 ZINC001329172608 973533026 /nfs/dbraw/zinc/53/30/26/973533026.db2.gz IWIWWGQCPICLDC-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)[nH]n1 ZINC001329172608 973533038 /nfs/dbraw/zinc/53/30/38/973533038.db2.gz IWIWWGQCPICLDC-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP CC[C@H](N)C[N@@H+](C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246973192 973708438 /nfs/dbraw/zinc/70/84/38/973708438.db2.gz IFFGHHZYOVEZFY-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1C ZINC000234843023 973775590 /nfs/dbraw/zinc/77/55/90/973775590.db2.gz BLCNNEUYHAWRPF-IGQOVBAYSA-N 2 1 240.391 1.731 20 0 BDADMP C1[NH2+]C[C@H]2C[C@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]12 ZINC001247011795 973797162 /nfs/dbraw/zinc/79/71/62/973797162.db2.gz BTEMSCLBTGCBAM-NIFZNCRKSA-N 3 1 249.402 1.058 20 0 BDADMP C1[NH2+]C[C@H]2C[C@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]12 ZINC001247011795 973797166 /nfs/dbraw/zinc/79/71/66/973797166.db2.gz BTEMSCLBTGCBAM-NIFZNCRKSA-N 3 1 249.402 1.058 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224700829 973866106 /nfs/dbraw/zinc/86/61/06/973866106.db2.gz BDPOERWZIGTRHR-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CC[C@@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224700829 973866114 /nfs/dbraw/zinc/86/61/14/973866114.db2.gz BDPOERWZIGTRHR-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CC[C@@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224700829 973866117 /nfs/dbraw/zinc/86/61/17/973866117.db2.gz BDPOERWZIGTRHR-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045134682 973868240 /nfs/dbraw/zinc/86/82/40/973868240.db2.gz UGDATQOANOVCAS-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP CNc1ccc(NC[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC001171334200 973872977 /nfs/dbraw/zinc/87/29/77/973872977.db2.gz JUEFQJXQLCPUAH-JTQLQIEISA-N 2 1 220.320 1.677 20 0 BDADMP C[N@H+]1CCC[C@@H](OCCC[NH+]2CCCC2)CC1 ZINC001224743495 973903294 /nfs/dbraw/zinc/90/32/94/973903294.db2.gz ATYGFBYGVKQBDE-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP c1cn2c([nH+]1)CC[C@@H](OCCC[NH+]1CCCC1)C2 ZINC001224749803 973913110 /nfs/dbraw/zinc/91/31/10/973913110.db2.gz NGJAKTKLGPIUBQ-CYBMUJFWSA-N 2 1 249.358 1.700 20 0 BDADMP C[N@H+]1CCC[C@H]1COC1CC[NH+](CCF)CC1 ZINC001224817572 974000018 /nfs/dbraw/zinc/00/00/18/974000018.db2.gz UHKVYUOEDRSZPH-LBPRGKRZSA-N 2 1 244.354 1.531 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171773809 974159257 /nfs/dbraw/zinc/15/92/57/974159257.db2.gz PDQGLXIMLYPVMA-JTQLQIEISA-N 2 1 222.307 1.620 20 0 BDADMP N[C@H]1CC[N@@H+](CC2CCOCC2)CC[C@H]1F ZINC001206156757 974330026 /nfs/dbraw/zinc/33/00/26/974330026.db2.gz SPDJDMWADWFCED-NEPJUHHUSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCOCC2)CC[C@H]1F ZINC001206156757 974330035 /nfs/dbraw/zinc/33/00/35/974330035.db2.gz SPDJDMWADWFCED-NEPJUHHUSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCOCC2)CC[C@H]1F ZINC001206156757 974330042 /nfs/dbraw/zinc/33/00/42/974330042.db2.gz SPDJDMWADWFCED-NEPJUHHUSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC[C@H]1F ZINC001206156212 974336417 /nfs/dbraw/zinc/33/64/17/974336417.db2.gz ORDZVKMPJTZBGO-MEBFFEOJSA-N 2 1 238.350 1.960 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC[C@H]1F ZINC001206156212 974336429 /nfs/dbraw/zinc/33/64/29/974336429.db2.gz ORDZVKMPJTZBGO-MEBFFEOJSA-N 2 1 238.350 1.960 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001172101218 974338300 /nfs/dbraw/zinc/33/83/00/974338300.db2.gz XMOGIGHTEZJDMC-PDWCTOEPSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001172101218 974338310 /nfs/dbraw/zinc/33/83/10/974338310.db2.gz XMOGIGHTEZJDMC-PDWCTOEPSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(O)C1)C2 ZINC001172101415 974341954 /nfs/dbraw/zinc/34/19/54/974341954.db2.gz YCRQBKUJOBNRKY-VGAXJBCESA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(O)C1)C2 ZINC001172101415 974341962 /nfs/dbraw/zinc/34/19/62/974341962.db2.gz YCRQBKUJOBNRKY-VGAXJBCESA-N 2 1 224.348 1.115 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CO)C2 ZINC001172099498 974345524 /nfs/dbraw/zinc/34/55/24/974345524.db2.gz IROOXIQYGBKDOX-ZSBIGDGJSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CO)C2 ZINC001172099498 974345531 /nfs/dbraw/zinc/34/55/31/974345531.db2.gz IROOXIQYGBKDOX-ZSBIGDGJSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCO)C2 ZINC001172099793 974345907 /nfs/dbraw/zinc/34/59/07/974345907.db2.gz KJYHRVPHAZIPOX-CLLJXQQHSA-N 2 1 226.364 1.364 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCO)C2 ZINC001172099794 974347299 /nfs/dbraw/zinc/34/72/99/974347299.db2.gz KJYHRVPHAZIPOX-XYYAHUGASA-N 2 1 226.364 1.364 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccno1)C2 ZINC001172100708 974347735 /nfs/dbraw/zinc/34/77/35/974347735.db2.gz RPYRSIQOYOROOI-CNDDSTCGSA-N 2 1 235.331 1.780 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccno1)C2 ZINC001172100708 974347739 /nfs/dbraw/zinc/34/77/39/974347739.db2.gz RPYRSIQOYOROOI-CNDDSTCGSA-N 2 1 235.331 1.780 20 0 BDADMP C[N@H+](CCF)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130437 974355502 /nfs/dbraw/zinc/35/55/02/974355502.db2.gz IIRREXULLYGREA-GDNZZTSVSA-N 2 1 214.328 1.903 20 0 BDADMP CN(CCF)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130437 974355496 /nfs/dbraw/zinc/35/54/96/974355496.db2.gz IIRREXULLYGREA-GDNZZTSVSA-N 2 1 214.328 1.903 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172101794 974359619 /nfs/dbraw/zinc/35/96/19/974359619.db2.gz BFQQHDWOFMKXMW-VJUFMGLXSA-N 2 1 238.375 1.769 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172101794 974359627 /nfs/dbraw/zinc/35/96/27/974359627.db2.gz BFQQHDWOFMKXMW-VJUFMGLXSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CO)CC1)C2 ZINC001172108152 974364376 /nfs/dbraw/zinc/36/43/76/974364376.db2.gz QHWPAVGVDHTAJJ-ZSBIGDGJSA-N 2 1 224.348 1.116 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CO)CC1)C2 ZINC001172108152 974364383 /nfs/dbraw/zinc/36/43/83/974364383.db2.gz QHWPAVGVDHTAJJ-ZSBIGDGJSA-N 2 1 224.348 1.116 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc(C[NH3+])n1)C2 ZINC001172103683 974366090 /nfs/dbraw/zinc/36/60/90/974366090.db2.gz WUAYQIMGDBPNJL-CLLJXQQHSA-N 2 1 234.347 1.530 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001172105401 974367573 /nfs/dbraw/zinc/36/75/73/974367573.db2.gz ICEJZIUWLYKGDN-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP N[C@@H]1CC[N@@H+](CCC23CC([NH3+])(C2)C3)CC[C@@H]1F ZINC001206157177 974371244 /nfs/dbraw/zinc/37/12/44/974371244.db2.gz XATFJFVOZTXADS-ZFDZMSFRSA-N 3 1 241.354 1.019 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC23CC([NH3+])(C2)C3)CC[C@@H]1F ZINC001206157177 974371252 /nfs/dbraw/zinc/37/12/52/974371252.db2.gz XATFJFVOZTXADS-ZFDZMSFRSA-N 3 1 241.354 1.019 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC23CC([NH3+])(C2)C3)CC[C@@H]1F ZINC001206157177 974371261 /nfs/dbraw/zinc/37/12/61/974371261.db2.gz XATFJFVOZTXADS-ZFDZMSFRSA-N 3 1 241.354 1.019 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@]1(C)CCOC1)C2 ZINC001172111875 974375058 /nfs/dbraw/zinc/37/50/58/974375058.db2.gz XSCNGQMCZCDYIC-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@]1(C)CCOC1)C2 ZINC001172111875 974375065 /nfs/dbraw/zinc/37/50/65/974375065.db2.gz XSCNGQMCZCDYIC-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1COC[C@@H]1F)C2 ZINC001172108980 974377298 /nfs/dbraw/zinc/37/72/98/974377298.db2.gz GAHMAURBBIDEJD-PPCPHDFISA-N 2 1 242.338 1.328 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COC[C@@H]1F)C2 ZINC001172108980 974377305 /nfs/dbraw/zinc/37/73/05/974377305.db2.gz GAHMAURBBIDEJD-PPCPHDFISA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COC[C@@H]1F)C2 ZINC001172108980 974377316 /nfs/dbraw/zinc/37/73/16/974377316.db2.gz GAHMAURBBIDEJD-PPCPHDFISA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC=CC1)C2 ZINC001172114715 974382568 /nfs/dbraw/zinc/38/25/68/974382568.db2.gz SLQMFSXQHFXLRR-CLLJXQQHSA-N 2 1 206.333 1.874 20 0 BDADMP Cc1nnc(C[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114359 974385333 /nfs/dbraw/zinc/38/53/33/974385333.db2.gz QZCVWSLXYGDZTL-ZSBIGDGJSA-N 2 1 249.362 1.233 20 0 BDADMP C[N@H+]([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123968 974391446 /nfs/dbraw/zinc/39/14/46/974391446.db2.gz ICPZAIXQDJWIEH-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123968 974391453 /nfs/dbraw/zinc/39/14/53/974391453.db2.gz ICPZAIXQDJWIEH-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123968 974391460 /nfs/dbraw/zinc/39/14/60/974391460.db2.gz ICPZAIXQDJWIEH-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123968 974391465 /nfs/dbraw/zinc/39/14/65/974391465.db2.gz ICPZAIXQDJWIEH-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240447 974502844 /nfs/dbraw/zinc/50/28/44/974502844.db2.gz OVNDIKQXSYLVDY-YOGCLGLASA-N 2 1 233.315 1.433 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172410970 974675358 /nfs/dbraw/zinc/67/53/58/974675358.db2.gz MPRKSEMGIMEZJO-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CCOCC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172424083 974699429 /nfs/dbraw/zinc/69/94/29/974699429.db2.gz PDOBKBSRFXYBOA-GFCCVEGCSA-N 2 1 216.369 1.685 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172389675 974738386 /nfs/dbraw/zinc/73/83/86/974738386.db2.gz PSHQNAFSUBBKEL-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001172462613 974829007 /nfs/dbraw/zinc/82/90/07/974829007.db2.gz TXBVFHLPVSMXBP-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172462613 974829010 /nfs/dbraw/zinc/82/90/10/974829010.db2.gz TXBVFHLPVSMXBP-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP C[N@H+]1CC[C@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226415897 974888932 /nfs/dbraw/zinc/88/89/32/974888932.db2.gz ASFWEIGTYWDZSS-JTQLQIEISA-N 2 1 243.310 1.900 20 0 BDADMP C[N@@H+]1CC[C@H](Oc2cc(N)[nH+]c3ccccc32)C1 ZINC001226415897 974888934 /nfs/dbraw/zinc/88/89/34/974888934.db2.gz ASFWEIGTYWDZSS-JTQLQIEISA-N 2 1 243.310 1.900 20 0 BDADMP C[N@H+]1CC[C@H](Oc2cc(N)[nH+]c3ccccc32)C1 ZINC001226415897 974888935 /nfs/dbraw/zinc/88/89/35/974888935.db2.gz ASFWEIGTYWDZSS-JTQLQIEISA-N 2 1 243.310 1.900 20 0 BDADMP CC[N@H+]1CCC[C@@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226654290 975004169 /nfs/dbraw/zinc/00/41/69/975004169.db2.gz XSMUGMDTOUJHMI-LLVKDONJSA-N 2 1 221.304 1.527 20 0 BDADMP CCCOC1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001173089418 975016208 /nfs/dbraw/zinc/01/62/08/975016208.db2.gz LUDUUYSCNHFBHY-HIFPTAJRSA-N 2 1 226.364 1.757 20 0 BDADMP CCCOC1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001173089418 975016215 /nfs/dbraw/zinc/01/62/15/975016215.db2.gz LUDUUYSCNHFBHY-HIFPTAJRSA-N 2 1 226.364 1.757 20 0 BDADMP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173349581 975293402 /nfs/dbraw/zinc/29/34/02/975293402.db2.gz IODDHLKLXMVVHU-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@@H](N(CCC[NH3+])C(C)C)C1 ZINC001173350623 975294885 /nfs/dbraw/zinc/29/48/85/975294885.db2.gz QYQLRHZDKDPXSC-GFCCVEGCSA-N 2 1 213.369 1.140 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001173351669 975299396 /nfs/dbraw/zinc/29/93/96/975299396.db2.gz WHHXBUIQFINPEV-AWEZNQCLSA-N 2 1 233.359 1.694 20 0 BDADMP CC[N@H+]1CC[C@@H](n2c(C)nc3c2CC[NH2+]CC3)C1 ZINC001173364175 975340867 /nfs/dbraw/zinc/34/08/67/975340867.db2.gz PWVBZMXBCSQDCU-GFCCVEGCSA-N 2 1 248.374 1.146 20 0 BDADMP CCC[NH+]1CCN([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001173366103 975345949 /nfs/dbraw/zinc/34/59/49/975345949.db2.gz WLKQDKNCVWPJFU-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)[C@@H](C)C2)C1 ZINC001173375250 975363068 /nfs/dbraw/zinc/36/30/68/975363068.db2.gz SBGWHYAAAZAXLF-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@H+](C(C)C)[C@@H](C)C2)C1 ZINC001173375250 975363075 /nfs/dbraw/zinc/36/30/75/975363075.db2.gz SBGWHYAAAZAXLF-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](C(C)C)[C@@H](C)C2)C1 ZINC001173375250 975363084 /nfs/dbraw/zinc/36/30/84/975363084.db2.gz SBGWHYAAAZAXLF-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2C1 ZINC001333891623 976146608 /nfs/dbraw/zinc/14/66/08/976146608.db2.gz MIIIYJYMBBJDKT-OUCADQQQSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CCCC[C@H]2[NH+](C)C)[nH+]1 ZINC001334154061 976335984 /nfs/dbraw/zinc/33/59/84/976335984.db2.gz GCIBTVOEXMUQFS-GHMZBOCLSA-N 2 1 249.362 1.652 20 0 BDADMP OCC12CCC(CC1)[N@H+]2C[C@H]1CCCC[NH2+]C1 ZINC001334739812 976610715 /nfs/dbraw/zinc/61/07/15/976610715.db2.gz YRJVFFFODHGPRJ-HSBZDZAISA-N 2 1 238.375 1.365 20 0 BDADMP CC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C(C)C ZINC001335346043 976978097 /nfs/dbraw/zinc/97/80/97/976978097.db2.gz RITHQFAZIYBTOW-LLVKDONJSA-N 2 1 225.336 1.367 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+][C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001335469550 977081524 /nfs/dbraw/zinc/08/15/24/977081524.db2.gz NBWHKZQTIOLUBF-NAKRPEOUSA-N 2 1 214.353 1.074 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H](F)C1)C1CC1 ZINC001335512670 977109582 /nfs/dbraw/zinc/10/95/82/977109582.db2.gz IFHKYNUCXYBFSH-DMDPSCGWSA-N 2 1 244.354 1.312 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H](F)C1)C1CC1 ZINC001335512670 977109591 /nfs/dbraw/zinc/10/95/91/977109591.db2.gz IFHKYNUCXYBFSH-DMDPSCGWSA-N 2 1 244.354 1.312 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3cccc(F)c3C2)C1 ZINC001336285864 977615576 /nfs/dbraw/zinc/61/55/76/977615576.db2.gz NGVWEIAHAIWGJZ-KLPPZKSPSA-N 2 1 234.318 1.921 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2cnccc12 ZINC001231514924 977622760 /nfs/dbraw/zinc/62/27/60/977622760.db2.gz ZPSPDFPWDBYGFG-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2cnccc12 ZINC001231514924 977622762 /nfs/dbraw/zinc/62/27/62/977622762.db2.gz ZPSPDFPWDBYGFG-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001336603108 977807266 /nfs/dbraw/zinc/80/72/66/977807266.db2.gz YMNVJESPAPLZRI-KBPBESRZSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001336603108 977807270 /nfs/dbraw/zinc/80/72/70/977807270.db2.gz YMNVJESPAPLZRI-KBPBESRZSA-N 2 1 249.358 1.692 20 0 BDADMP O[C@H]1CCCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011992 977840971 /nfs/dbraw/zinc/84/09/71/977840971.db2.gz RVBWBWHPBVGMCX-ZDUSSCGKSA-N 2 1 245.326 1.910 20 0 BDADMP OC[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011140 977841352 /nfs/dbraw/zinc/84/13/52/977841352.db2.gz HKSYBEVSKSQGRG-NSHDSACASA-N 2 1 245.326 1.767 20 0 BDADMP CSC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001336838388 977994953 /nfs/dbraw/zinc/99/49/53/977994953.db2.gz CSNWBLCIGWGFBL-MXWKQRLJSA-N 2 1 246.420 1.029 20 0 BDADMP CCC[NH+]1CCC(CNc2cc(N)[nH+]cn2)CC1 ZINC001337019217 978129075 /nfs/dbraw/zinc/12/90/75/978129075.db2.gz NRLKFJJXDBRGNG-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP CC(C)[NH+]1CC(OCC[NH+]2CCCC2)C1 ZINC001206302623 978352018 /nfs/dbraw/zinc/35/20/18/978352018.db2.gz NRXLPHWMLZKYAK-UHFFFAOYSA-N 2 1 212.337 1.191 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206304718 978374208 /nfs/dbraw/zinc/37/42/08/978374208.db2.gz ONTIVAZPQGLWHX-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP C[C@@H]1C[N@H+](CCNc2cc[nH+]cc2)[C@@H](C)CO1 ZINC001337726652 978474523 /nfs/dbraw/zinc/47/45/23/978474523.db2.gz QLNZHSGLTJRISW-NWDGAFQWSA-N 2 1 235.331 1.025 20 0 BDADMP C[C@@H]1C[N@@H+](CCNc2cc[nH+]cc2)[C@@H](C)CO1 ZINC001337726652 978474525 /nfs/dbraw/zinc/47/45/25/978474525.db2.gz QLNZHSGLTJRISW-NWDGAFQWSA-N 2 1 235.331 1.025 20 0 BDADMP CC[N@@H+](CCNc1cc[nH+]c(CO)c1)C1CC1 ZINC001337837470 978520416 /nfs/dbraw/zinc/52/04/16/978520416.db2.gz QUPHHBXLLQKIRY-UHFFFAOYSA-N 2 1 235.331 1.470 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)[nH+]1 ZINC001337888836 978550130 /nfs/dbraw/zinc/55/01/30/978550130.db2.gz UHKVKFXDTOIGKF-GZMMTYOYSA-N 2 1 247.346 1.262 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)[nH+]1 ZINC001337888836 978550134 /nfs/dbraw/zinc/55/01/34/978550134.db2.gz UHKVKFXDTOIGKF-GZMMTYOYSA-N 2 1 247.346 1.262 20 0 BDADMP CC(C)[NH+]1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001277799508 978670581 /nfs/dbraw/zinc/67/05/81/978670581.db2.gz VTDABWICHDRBGT-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccccn1)[NH+](C)C ZINC001338474012 978687474 /nfs/dbraw/zinc/68/74/74/978687474.db2.gz LMSWSZIKMJOTMF-AAEUAGOBSA-N 2 1 237.347 1.045 20 0 BDADMP CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277806606 978692954 /nfs/dbraw/zinc/69/29/54/978692954.db2.gz GNKXHVFKUXDFMI-MELADBBJSA-N 2 1 239.407 1.495 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000069847488 978763381 /nfs/dbraw/zinc/76/33/81/978763381.db2.gz AWEOPCHGEZVPTK-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1cccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001203260337 978836297 /nfs/dbraw/zinc/83/62/97/978836297.db2.gz SOPLKIMUQHDXLJ-OLZOCXBDSA-N 2 1 233.359 1.409 20 0 BDADMP Cn1cccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001203260337 978836299 /nfs/dbraw/zinc/83/62/99/978836299.db2.gz SOPLKIMUQHDXLJ-OLZOCXBDSA-N 2 1 233.359 1.409 20 0 BDADMP Cn1cccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001203260337 978836303 /nfs/dbraw/zinc/83/63/03/978836303.db2.gz SOPLKIMUQHDXLJ-OLZOCXBDSA-N 2 1 233.359 1.409 20 0 BDADMP C(CN1CC[NH2+]C[C@@]12CC[NH2+]C2)C1CCCC1 ZINC001234981998 978942800 /nfs/dbraw/zinc/94/28/00/978942800.db2.gz QIBJZCBOEDKIKW-AWEZNQCLSA-N 2 1 237.391 1.204 20 0 BDADMP CCc1[nH]c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(C)[nH+]1 ZINC001235037026 978959583 /nfs/dbraw/zinc/95/95/83/978959583.db2.gz CWKNCEZESHWCII-CMPLNLGQSA-N 2 1 234.347 1.217 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074909 978968897 /nfs/dbraw/zinc/96/88/97/978968897.db2.gz HSAOGUZMLCPAQY-ZIAGYGMSSA-N 2 1 242.326 1.499 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235221808 978998671 /nfs/dbraw/zinc/99/86/71/978998671.db2.gz FGGWXOSBIFEKHG-HLTSFMKQSA-N 2 1 204.264 1.311 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235221808 978998675 /nfs/dbraw/zinc/99/86/75/978998675.db2.gz FGGWXOSBIFEKHG-HLTSFMKQSA-N 2 1 204.264 1.311 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235241026 979003253 /nfs/dbraw/zinc/00/32/53/979003253.db2.gz PNJUQRKJEWUDRJ-MGPQQGTHSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235241026 979003258 /nfs/dbraw/zinc/00/32/58/979003258.db2.gz PNJUQRKJEWUDRJ-MGPQQGTHSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235241026 979003264 /nfs/dbraw/zinc/00/32/64/979003264.db2.gz PNJUQRKJEWUDRJ-MGPQQGTHSA-N 2 1 237.391 1.189 20 0 BDADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235493767 979057266 /nfs/dbraw/zinc/05/72/66/979057266.db2.gz ISSAYMYCCUNFON-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+]CCCCN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001235536522 979081614 /nfs/dbraw/zinc/08/16/14/979081614.db2.gz HCVFNEZIXUBFOR-UHFFFAOYSA-N 2 1 237.391 1.143 20 0 BDADMP [NH3+]CCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001235536522 979081623 /nfs/dbraw/zinc/08/16/23/979081623.db2.gz HCVFNEZIXUBFOR-UHFFFAOYSA-N 3 1 237.391 1.143 20 0 BDADMP [NH3+]CCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001235536522 979081631 /nfs/dbraw/zinc/08/16/31/979081631.db2.gz HCVFNEZIXUBFOR-UHFFFAOYSA-N 3 1 237.391 1.143 20 0 BDADMP CC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001235725578 979136768 /nfs/dbraw/zinc/13/67/68/979136768.db2.gz ZCSOWZJEKALXJK-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001235725578 979136772 /nfs/dbraw/zinc/13/67/72/979136772.db2.gz ZCSOWZJEKALXJK-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]C[C@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235750271 979138363 /nfs/dbraw/zinc/13/83/63/979138363.db2.gz OBWIGFHJXWOCQR-CYBMUJFWSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235750271 979138370 /nfs/dbraw/zinc/13/83/70/979138370.db2.gz OBWIGFHJXWOCQR-CYBMUJFWSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001235734357 979139380 /nfs/dbraw/zinc/13/93/80/979139380.db2.gz BKWLYXUVNYPRLZ-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001235734357 979139384 /nfs/dbraw/zinc/13/93/84/979139384.db2.gz BKWLYXUVNYPRLZ-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001235736406 979140543 /nfs/dbraw/zinc/14/05/43/979140543.db2.gz VPFYIHAHSZNVAY-CQSZACIVSA-N 2 1 233.359 1.827 20 0 BDADMP CC[C@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC001235769922 979145514 /nfs/dbraw/zinc/14/55/14/979145514.db2.gz ZTCIWJCRVYRSMF-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP CC[C@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC001235769922 979145524 /nfs/dbraw/zinc/14/55/24/979145524.db2.gz ZTCIWJCRVYRSMF-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP COC(=O)c1cccc2c1C[N@H+](CCCC[NH3+])C2 ZINC001235791385 979150753 /nfs/dbraw/zinc/15/07/53/979150753.db2.gz QJYQQDWMFHVBCR-UHFFFAOYSA-N 2 1 248.326 1.528 20 0 BDADMP COC(=O)c1cccc2c1C[N@@H+](CCCC[NH3+])C2 ZINC001235791385 979150755 /nfs/dbraw/zinc/15/07/55/979150755.db2.gz QJYQQDWMFHVBCR-UHFFFAOYSA-N 2 1 248.326 1.528 20 0 BDADMP CC(C)C[C@H]1C[N@H+](CC23CC([NH3+])(C2)C3)CCN1 ZINC001235877886 979176883 /nfs/dbraw/zinc/17/68/83/979176883.db2.gz BHOWWOYTDQHZFP-HSBZDZAISA-N 2 1 237.391 1.188 20 0 BDADMP CC(C)C[C@H]1C[N@@H+](CC23CC([NH3+])(C2)C3)CCN1 ZINC001235877886 979176888 /nfs/dbraw/zinc/17/68/88/979176888.db2.gz BHOWWOYTDQHZFP-HSBZDZAISA-N 2 1 237.391 1.188 20 0 BDADMP CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])CC[NH2+]CC1 ZINC001235960072 979228777 /nfs/dbraw/zinc/22/87/77/979228777.db2.gz VIIRPBOPHSMEEK-CLLJXQQHSA-N 3 1 237.391 1.045 20 0 BDADMP CCC[N@H+](CCc1ccccn1)C[C@H](C)[NH3+] ZINC001235963907 979233627 /nfs/dbraw/zinc/23/36/27/979233627.db2.gz XYKAMPMKHSWNEN-LBPRGKRZSA-N 2 1 221.348 1.683 20 0 BDADMP CCC[N@@H+](CCc1ccccn1)C[C@H](C)[NH3+] ZINC001235963907 979233643 /nfs/dbraw/zinc/23/36/43/979233643.db2.gz XYKAMPMKHSWNEN-LBPRGKRZSA-N 2 1 221.348 1.683 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001235980942 979240149 /nfs/dbraw/zinc/24/01/49/979240149.db2.gz SKCRGWXIKKIMHC-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP CCC[C@@H](C)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995473 979284868 /nfs/dbraw/zinc/28/48/68/979284868.db2.gz YJHAPXRRMVEFLN-FKJOKYEKSA-N 2 1 226.364 1.328 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001236007582 979296348 /nfs/dbraw/zinc/29/63/48/979296348.db2.gz WKMJCENXYZSTGV-JTQLQIEISA-N 2 1 234.290 1.225 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001236014167 979304551 /nfs/dbraw/zinc/30/45/51/979304551.db2.gz GJJMDJYARLCQHO-PPCPHDFISA-N 2 1 204.317 1.232 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001236014167 979304566 /nfs/dbraw/zinc/30/45/66/979304566.db2.gz GJJMDJYARLCQHO-PPCPHDFISA-N 2 1 204.317 1.232 20 0 BDADMP CCc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206464960 979345464 /nfs/dbraw/zinc/34/54/64/979345464.db2.gz VGTMEKMQQNTYAU-UONOGXRCSA-N 2 1 234.343 1.000 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCCCO)C2 ZINC001236152971 979414595 /nfs/dbraw/zinc/41/45/95/979414595.db2.gz GFPPSXMOYPROMD-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP CCC[C@H]1C[N@H+](CCCCC[NH3+])CCN1 ZINC001236176784 979436763 /nfs/dbraw/zinc/43/67/63/979436763.db2.gz DJHYCRMERIBLHX-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP CCC[C@H]1C[N@@H+](CCCCC[NH3+])CCN1 ZINC001236176784 979436768 /nfs/dbraw/zinc/43/67/68/979436768.db2.gz DJHYCRMERIBLHX-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP C[N@H+](CCCCCC[NH3+])[C@]1(C)CCCNC1 ZINC001236202260 979448095 /nfs/dbraw/zinc/44/80/95/979448095.db2.gz PJOMDNYZECTDQL-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@]1(C)CCCNC1 ZINC001236202260 979448098 /nfs/dbraw/zinc/44/80/98/979448098.db2.gz PJOMDNYZECTDQL-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCCC[C@@H]1N ZINC001236211430 979448318 /nfs/dbraw/zinc/44/83/18/979448318.db2.gz HZGDQGGDRATNHY-STQMWFEESA-N 2 1 227.396 1.707 20 0 BDADMP CN(CCCCCC[NH3+])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236211430 979448323 /nfs/dbraw/zinc/44/83/23/979448323.db2.gz HZGDQGGDRATNHY-STQMWFEESA-N 2 1 227.396 1.707 20 0 BDADMP CCC1(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)COC1 ZINC001236315030 979523902 /nfs/dbraw/zinc/52/39/02/979523902.db2.gz UXBYGTDHSDVWMN-BETUJISGSA-N 2 1 238.375 1.344 20 0 BDADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c[nH]1 ZINC001236321206 979531829 /nfs/dbraw/zinc/53/18/29/979531829.db2.gz YJVUPASSONRCEL-BETUJISGSA-N 2 1 219.332 1.446 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(N)c1 ZINC001236420754 979591433 /nfs/dbraw/zinc/59/14/33/979591433.db2.gz NMKYDUNTSFYSRI-ZWNOBZJWSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(N)c1 ZINC001236420754 979591441 /nfs/dbraw/zinc/59/14/41/979591441.db2.gz NMKYDUNTSFYSRI-ZWNOBZJWSA-N 2 1 219.332 1.580 20 0 BDADMP CC(C)[N@H+](CCCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236470006 979604434 /nfs/dbraw/zinc/60/44/34/979604434.db2.gz YVYSKYMQLJVGIL-CQSZACIVSA-N 2 1 241.423 1.968 20 0 BDADMP CC(C)[N@@H+](CCCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236470006 979604437 /nfs/dbraw/zinc/60/44/37/979604437.db2.gz YVYSKYMQLJVGIL-CQSZACIVSA-N 2 1 241.423 1.968 20 0 BDADMP [NH3+]CCCC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572571 979627000 /nfs/dbraw/zinc/62/70/00/979627000.db2.gz SNYKNAZIKYNRBY-MQMHXKEQSA-N 3 1 239.407 1.850 20 0 BDADMP C[NH2+]CCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551694 979635138 /nfs/dbraw/zinc/63/51/38/979635138.db2.gz KYCMACOKWIDNBL-HDJSIYSDSA-N 3 1 239.407 1.578 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCO)C2CCC2)CC1 ZINC001236572998 979637786 /nfs/dbraw/zinc/63/77/86/979637786.db2.gz YKYCEGPWBQGYMG-UMSPYCQHSA-N 2 1 212.337 1.103 20 0 BDADMP CC[C@H](N)C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571409 979638229 /nfs/dbraw/zinc/63/82/29/979638229.db2.gz CIMRDUXTOQQLLL-OBJOEFQTSA-N 2 1 239.407 1.848 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CC2CCOCC2)C1 ZINC001206541257 979645502 /nfs/dbraw/zinc/64/55/02/979645502.db2.gz FYUMECIFJQMSPO-AWEZNQCLSA-N 2 1 240.391 1.864 20 0 BDADMP [NH3+]CCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584513 979665713 /nfs/dbraw/zinc/66/57/13/979665713.db2.gz GCWMSLNJXKXQBB-LBPRGKRZSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@H](CO)C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277994092 979687461 /nfs/dbraw/zinc/68/74/61/979687461.db2.gz JXXXSSRHSRSFCV-KBPBESRZSA-N 2 1 240.391 1.423 20 0 BDADMP Cc1cccnc1O[C@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001236664015 979689135 /nfs/dbraw/zinc/68/91/35/979689135.db2.gz NODBGYDBOAAMGI-ZDUSSCGKSA-N 2 1 249.358 1.582 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549866 979701858 /nfs/dbraw/zinc/70/18/58/979701858.db2.gz RHSYJHXJBSZLFJ-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549866 979701864 /nfs/dbraw/zinc/70/18/64/979701864.db2.gz RHSYJHXJBSZLFJ-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205257206 979755791 /nfs/dbraw/zinc/75/57/91/979755791.db2.gz UAXJDMVAHBAVBM-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC001236886025 979782287 /nfs/dbraw/zinc/78/22/87/979782287.db2.gz ZSLJVVBXKCNIFL-JTQLQIEISA-N 2 1 217.316 1.947 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC001236886025 979782289 /nfs/dbraw/zinc/78/22/89/979782289.db2.gz ZSLJVVBXKCNIFL-JTQLQIEISA-N 2 1 217.316 1.947 20 0 BDADMP C1=CO[C@H](C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237379382 979877950 /nfs/dbraw/zinc/87/79/50/979877950.db2.gz BBTDXYFEZQFWMF-RDBSUJKOSA-N 2 1 236.359 1.753 20 0 BDADMP O=c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c[nH]1 ZINC001237383690 979882237 /nfs/dbraw/zinc/88/22/37/979882237.db2.gz RRYAEQYDXPMNPG-OLZOCXBDSA-N 2 1 247.342 1.361 20 0 BDADMP O=c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c[nH]1 ZINC001237383690 979882242 /nfs/dbraw/zinc/88/22/42/979882242.db2.gz RRYAEQYDXPMNPG-OLZOCXBDSA-N 2 1 247.342 1.361 20 0 BDADMP Nc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415558 979888248 /nfs/dbraw/zinc/88/82/48/979888248.db2.gz QAWIEBKTJWYRNX-HIFRSBDPSA-N 2 1 245.370 1.843 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237416958 979888758 /nfs/dbraw/zinc/88/87/58/979888758.db2.gz RJWOYTIYHGCXOV-ZFWWWQNUSA-N 2 1 245.370 1.843 20 0 BDADMP CCn1cncc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001237593175 979949806 /nfs/dbraw/zinc/94/98/06/979949806.db2.gz HFWIVTHVXSRBRC-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP C[NH+](C)CCc1ccccc1C[NH+]1CCOCC1 ZINC001250157766 980110590 /nfs/dbraw/zinc/11/05/90/980110590.db2.gz MKIKRFQGHMYRRP-UHFFFAOYSA-N 2 1 248.370 1.623 20 0 BDADMP OC[C@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103005 980152953 /nfs/dbraw/zinc/15/29/53/980152953.db2.gz IPFWEPPHZNWWCA-LBPRGKRZSA-N 2 1 245.326 1.539 20 0 BDADMP OC[C@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103005 980152956 /nfs/dbraw/zinc/15/29/56/980152956.db2.gz IPFWEPPHZNWWCA-LBPRGKRZSA-N 2 1 245.326 1.539 20 0 BDADMP c1[nH+]cn2c1cccc2CN1CC[N@H+]2CC[C@@H]2C1 ZINC001238112017 980163327 /nfs/dbraw/zinc/16/33/27/980163327.db2.gz AQYDKZKUGDSPPA-CYBMUJFWSA-N 2 1 242.326 1.224 20 0 BDADMP c1[nH+]cn2c1cccc2CN1CC[N@H+]2CC[C@H]2C1 ZINC001238112022 980164436 /nfs/dbraw/zinc/16/44/36/980164436.db2.gz AQYDKZKUGDSPPA-ZDUSSCGKSA-N 2 1 242.326 1.224 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1c[nH]nc1C ZINC001345483059 980618974 /nfs/dbraw/zinc/61/89/74/980618974.db2.gz QDAMQARDSBMACT-RKDXNWHRSA-N 2 1 210.325 1.367 20 0 BDADMP c1cn(CCc2ccc3cncn3c2)cn1 ZINC001250319020 980757049 /nfs/dbraw/zinc/75/70/49/980757049.db2.gz NZYMRKXSWXLFMV-UHFFFAOYSA-N 2 1 212.256 1.774 20 0 BDADMP Cc1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C)C2)c1 ZINC001346192558 980779772 /nfs/dbraw/zinc/77/97/72/980779772.db2.gz WCOQLLBKGXNOIA-ZFWWWQNUSA-N 2 1 248.370 1.570 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc[nH]n2)CC1 ZINC001205545354 980945298 /nfs/dbraw/zinc/94/52/98/980945298.db2.gz DWEWGEBEBCEIJL-NSHDSACASA-N 2 1 226.299 1.063 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001205545976 980946032 /nfs/dbraw/zinc/94/60/32/980946032.db2.gz NYTMOILJYGJOSH-NEPJUHHUSA-N 2 1 230.327 1.318 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccccn2)CC[C@H]1C[NH3+] ZINC001205601760 981159001 /nfs/dbraw/zinc/15/90/01/981159001.db2.gz GEBQJEKLJJOSOJ-STQMWFEESA-N 2 1 233.359 1.888 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)CC[C@@H]1C[NH3+] ZINC001205601367 981159448 /nfs/dbraw/zinc/15/94/48/981159448.db2.gz DWEOKYCKCCLERH-ZYHUDNBSSA-N 2 1 222.336 1.217 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602375 981161574 /nfs/dbraw/zinc/16/15/74/981161574.db2.gz IHJMNTQNUSTDCF-UTUOFQBUSA-N 2 1 242.363 1.102 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cncn2C)CC[C@H]1C[NH3+] ZINC001205602748 981168451 /nfs/dbraw/zinc/16/84/51/981168451.db2.gz MAWCNLWGTBZDQY-RYUDHWBXSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccon2)CC[C@@H]1C[NH3+] ZINC001205618293 981223711 /nfs/dbraw/zinc/22/37/11/981223711.db2.gz UGPFXTOIWXGJPC-WDEREUQCSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(N)n2)CC[C@@H]1C[NH3+] ZINC001205638823 981412262 /nfs/dbraw/zinc/41/22/62/981412262.db2.gz SGCUCAMXGZQNAF-VXGBXAGGSA-N 2 1 248.374 1.471 20 0 BDADMP O[C@@]1(C[N@H+]2CC[C@@H](C3CCC3)C2)CCC[NH2+]C1 ZINC001580878603 981672915 /nfs/dbraw/zinc/67/29/15/981672915.db2.gz SKYPZAFUDLXMEA-KGLIPLIRSA-N 2 1 238.375 1.223 20 0 BDADMP OC[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC001580884426 981699855 /nfs/dbraw/zinc/69/98/55/981699855.db2.gz APTQRLMTZAMQEJ-HZSPNIEDSA-N 2 1 238.375 1.080 20 0 BDADMP c1cnc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cn1 ZINC001580896858 981732393 /nfs/dbraw/zinc/73/23/93/981732393.db2.gz VPNHEROZOQRORJ-ZDUSSCGKSA-N 2 1 246.358 1.266 20 0 BDADMP Cc1cccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205664128 981814298 /nfs/dbraw/zinc/81/42/98/981814298.db2.gz MBGSQKVIBWRUHM-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205664128 981814301 /nfs/dbraw/zinc/81/43/01/981814301.db2.gz MBGSQKVIBWRUHM-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccc[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC000159281963 981959795 /nfs/dbraw/zinc/95/97/95/981959795.db2.gz SJWCXGHMHULGQU-LLVKDONJSA-N 2 1 205.305 1.944 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001350930311 982126364 /nfs/dbraw/zinc/12/63/64/982126364.db2.gz HJTKROHEACXVAO-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+]1CC=C(c2ccc3c(n2)C[NH2+]CC3)CC1 ZINC001241310898 982456090 /nfs/dbraw/zinc/45/60/90/982456090.db2.gz NSMXQJKNKZJTPM-UHFFFAOYSA-N 2 1 229.327 1.446 20 0 BDADMP C[N@@H+]1CC=C(c2cnc3c(c2)C[NH2+]CC3)CC1 ZINC001241323102 982484757 /nfs/dbraw/zinc/48/47/57/982484757.db2.gz YTAKTRRBYIHOBV-UHFFFAOYSA-N 2 1 229.327 1.446 20 0 BDADMP C[N@H+]1CCC=C(c2ccccc2CC[NH3+])C1 ZINC001241570157 982818632 /nfs/dbraw/zinc/81/86/32/982818632.db2.gz GWIQUODOYOXBBD-UHFFFAOYSA-N 2 1 216.328 1.907 20 0 BDADMP CC[N@H+](C)[C@@H]1CCN(CCn2cc[nH+]c2C)C1 ZINC001198880771 982873177 /nfs/dbraw/zinc/87/31/77/982873177.db2.gz AWNWLERPAGUIJF-CYBMUJFWSA-N 2 1 236.363 1.218 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(CCn2cc[nH+]c2C)C1 ZINC001198880771 982873179 /nfs/dbraw/zinc/87/31/79/982873179.db2.gz AWNWLERPAGUIJF-CYBMUJFWSA-N 2 1 236.363 1.218 20 0 BDADMP CC(C)[NH+]1CCC(C[N@H+](C)C[C@H](C)O)CC1 ZINC001251961325 983034426 /nfs/dbraw/zinc/03/44/26/983034426.db2.gz HVARPYZWRNUUBX-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000161438951 983100152 /nfs/dbraw/zinc/10/01/52/983100152.db2.gz UJHGRJNYJBFEDP-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000161438951 983100159 /nfs/dbraw/zinc/10/01/59/983100159.db2.gz UJHGRJNYJBFEDP-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[N@@H+](C)CCCNc1nccnc1C[NH3+] ZINC001354071486 983137101 /nfs/dbraw/zinc/13/71/01/983137101.db2.gz RVAVHLLWEMNJJF-UHFFFAOYSA-N 2 1 237.351 1.078 20 0 BDADMP Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc[nH+]1 ZINC001354129429 983169007 /nfs/dbraw/zinc/16/90/07/983169007.db2.gz GQSMWNVHINMYSS-IINYFYTJSA-N 2 1 231.343 1.707 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201514301 983278112 /nfs/dbraw/zinc/27/81/12/983278112.db2.gz DEIUJQYRTBBEKA-LLVKDONJSA-N 2 1 207.321 1.787 20 0 BDADMP CC[C@@H](C)C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201514301 983278120 /nfs/dbraw/zinc/27/81/20/983278120.db2.gz DEIUJQYRTBBEKA-LLVKDONJSA-N 2 1 207.321 1.787 20 0 BDADMP CC[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001201580037 983343700 /nfs/dbraw/zinc/34/37/00/983343700.db2.gz AMWYDMMUZSIBLS-HUUCEWRRSA-N 2 1 245.370 1.855 20 0 BDADMP COC/C(C)=C/C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001354710015 983348162 /nfs/dbraw/zinc/34/81/62/983348162.db2.gz OAHHNEVWTDASEU-GUNGLEHYSA-N 2 1 240.391 1.995 20 0 BDADMP CCC[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001201642398 983398868 /nfs/dbraw/zinc/39/88/68/983398868.db2.gz WYQMRLZAXCLTOT-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201642398 983398874 /nfs/dbraw/zinc/39/88/74/983398874.db2.gz WYQMRLZAXCLTOT-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CCC[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201642398 983398881 /nfs/dbraw/zinc/39/88/81/983398881.db2.gz WYQMRLZAXCLTOT-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COc1cccc2c1CC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC001356049751 983559357 /nfs/dbraw/zinc/55/93/57/983559357.db2.gz NRPVNXMFWLMUSU-LBPRGKRZSA-N 2 1 232.327 1.763 20 0 BDADMP CCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001252108197 983667600 /nfs/dbraw/zinc/66/76/00/983667600.db2.gz MPPXNWIMUIFBFT-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@](C)(CF)C1 ZINC001253180989 984013128 /nfs/dbraw/zinc/01/31/28/984013128.db2.gz NHRODVXYKGCABD-CHWSQXEVSA-N 2 1 246.370 1.371 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@](C)(CF)C1 ZINC001253180989 984013138 /nfs/dbraw/zinc/01/31/38/984013138.db2.gz NHRODVXYKGCABD-CHWSQXEVSA-N 2 1 246.370 1.371 20 0 BDADMP CN1CCC([NH2+]C[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001561033931 984015267 /nfs/dbraw/zinc/01/52/67/984015267.db2.gz ACUHJMNPPJPOLV-ZDUSSCGKSA-N 2 1 237.391 1.012 20 0 BDADMP C[C@@]1(C[NH2+]C[C@]2(C)C[NH2+]CCO2)CCCS1 ZINC001576519937 984174771 /nfs/dbraw/zinc/17/47/71/984174771.db2.gz WJSYGZKOHCDMOB-RYUDHWBXSA-N 2 1 244.404 1.240 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC[NH2+]1 ZINC001576597831 984176565 /nfs/dbraw/zinc/17/65/65/984176565.db2.gz JEPSASZRNGYPIY-XGFWRYKXSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCC[C@H]1C[NH3+] ZINC001205983856 984213714 /nfs/dbraw/zinc/21/37/14/984213714.db2.gz PPHWLDCZQSRERR-MCIONIFRSA-N 2 1 240.391 1.720 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@H]3CC[NH2+]C34CCC4)[C@H]2C1 ZINC001578521181 984216659 /nfs/dbraw/zinc/21/66/59/984216659.db2.gz MMFKELDYNLNYHE-XUXIUFHCSA-N 2 1 249.402 1.201 20 0 BDADMP Cc1cnccc1CC[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001579824647 984313627 /nfs/dbraw/zinc/31/36/27/984313627.db2.gz GCYCUNBUKGSGJP-WDNDVIMCSA-N 2 1 231.343 1.082 20 0 BDADMP Cc1cnccc1CC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001579824647 984313630 /nfs/dbraw/zinc/31/36/30/984313630.db2.gz GCYCUNBUKGSGJP-WDNDVIMCSA-N 2 1 231.343 1.082 20 0 BDADMP CCCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001275039639 984447679 /nfs/dbraw/zinc/44/76/79/984447679.db2.gz VRDGDDTUPBUXES-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP CC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275085389 984476270 /nfs/dbraw/zinc/47/62/70/984476270.db2.gz SRNIADONSQBPPV-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001275138096 984501659 /nfs/dbraw/zinc/50/16/59/984501659.db2.gz JAPPZRNOHMMJNN-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP C1=C(c2ccc(C[NH+]3CCOCC3)cc2)C[NH2+]C1 ZINC001243109622 984563479 /nfs/dbraw/zinc/56/34/79/984563479.db2.gz PNPNMHUBEJDWTJ-UHFFFAOYSA-N 2 1 244.338 1.505 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001577697965 984638704 /nfs/dbraw/zinc/63/87/04/984638704.db2.gz ZFJZEEVIXPIEPT-IGJPJIBNSA-N 3 1 225.380 1.186 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577697964 984644654 /nfs/dbraw/zinc/64/46/54/984644654.db2.gz ZFJZEEVIXPIEPT-CQLXCSJHSA-N 3 1 225.380 1.186 20 0 BDADMP CC[N@H+]1CC[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001577768482 984712127 /nfs/dbraw/zinc/71/21/27/984712127.db2.gz ZFUMCLQLNNCHIQ-RWMBFGLXSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001256732147 984802345 /nfs/dbraw/zinc/80/23/45/984802345.db2.gz BFMWFWXUBHLNNW-UMVBOHGHSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001256732147 984802347 /nfs/dbraw/zinc/80/23/47/984802347.db2.gz BFMWFWXUBHLNNW-UMVBOHGHSA-N 2 1 247.386 1.942 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)C1CC1 ZINC001578075189 984839448 /nfs/dbraw/zinc/83/94/48/984839448.db2.gz GNFCSOHAPFGVOR-NWDGAFQWSA-N 2 1 212.337 1.128 20 0 BDADMP [NH3+]Cc1cnn([C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256900552 984844843 /nfs/dbraw/zinc/84/48/43/984844843.db2.gz PAKZNWGWQQTLNB-AWEZNQCLSA-N 2 1 248.374 1.921 20 0 BDADMP CCc1ccc2c(c1)CC[N@H+](C[C@@H](O)CC[NH3+])C2 ZINC001578263713 984914890 /nfs/dbraw/zinc/91/48/90/984914890.db2.gz UANCUJZWJBKDFZ-HNNXBMFYSA-N 2 1 248.370 1.317 20 0 BDADMP CCn1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001578354151 985001252 /nfs/dbraw/zinc/00/12/52/985001252.db2.gz ZRMBUPGLDAEPMX-NWDGAFQWSA-N 2 1 236.363 1.320 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000685984905 985022237 /nfs/dbraw/zinc/02/22/37/985022237.db2.gz DNKMIMSJMRZLGM-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000685984905 985022249 /nfs/dbraw/zinc/02/22/49/985022249.db2.gz DNKMIMSJMRZLGM-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+](CC1=CCSC1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578445847 985077859 /nfs/dbraw/zinc/07/78/59/985077859.db2.gz XARNMCZZXWVGND-CMPLNLGQSA-N 2 1 226.389 1.719 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(=O)[nH]c1 ZINC001578465883 985097191 /nfs/dbraw/zinc/09/71/91/985097191.db2.gz TWBIFPNIBZJGLC-UHFFFAOYSA-N 2 1 237.347 1.738 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000691985183 985108356 /nfs/dbraw/zinc/10/83/56/985108356.db2.gz JYAIXOYTKROGDR-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578493094 985119705 /nfs/dbraw/zinc/11/97/05/985119705.db2.gz DABMGAWOZBWRDK-QWHCGFSZSA-N 2 1 234.343 1.951 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)[C@@H]2C1 ZINC001578520784 985142582 /nfs/dbraw/zinc/14/25/82/985142582.db2.gz GNJWRIOZZTVYHJ-ITGHMWBKSA-N 3 1 237.391 1.044 20 0 BDADMP C[N@H+]1CCC[C@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC001578528491 985151821 /nfs/dbraw/zinc/15/18/21/985151821.db2.gz IBFZXSBRAMSIMY-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CNC[C@@H]([NH3+])CC(F)F ZINC001578528540 985153988 /nfs/dbraw/zinc/15/39/88/985153988.db2.gz IWDXJHKFAUDOIX-VHSXEESVSA-N 2 1 235.322 1.043 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578529722 985160362 /nfs/dbraw/zinc/16/03/62/985160362.db2.gz YQQSQUYPRTXUGH-REWJHTLYSA-N 2 1 237.391 1.282 20 0 BDADMP CN1CC[C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001578540968 985174437 /nfs/dbraw/zinc/17/44/37/985174437.db2.gz IUTNWTAEQDBISK-IWNKAIHXSA-N 2 1 249.402 1.153 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC001578620880 985228519 /nfs/dbraw/zinc/22/85/19/985228519.db2.gz ASSZGRZJPJUHAG-QEJZJMRPSA-N 2 1 248.370 1.650 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC001578620880 985228533 /nfs/dbraw/zinc/22/85/33/985228533.db2.gz ASSZGRZJPJUHAG-QEJZJMRPSA-N 2 1 248.370 1.650 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC001578620882 985233066 /nfs/dbraw/zinc/23/30/66/985233066.db2.gz ASSZGRZJPJUHAG-SNPRPXQTSA-N 2 1 248.370 1.650 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC001578620882 985233085 /nfs/dbraw/zinc/23/30/85/985233085.db2.gz ASSZGRZJPJUHAG-SNPRPXQTSA-N 2 1 248.370 1.650 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC001578652176 985259965 /nfs/dbraw/zinc/25/99/65/985259965.db2.gz FWYVCEYMVVEWSW-UPJWGTAASA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+](CCC1CC1)CC1CC1 ZINC001578652641 985261883 /nfs/dbraw/zinc/26/18/83/985261883.db2.gz LOXGITLFKUXOBX-CYBMUJFWSA-N 2 1 226.364 1.079 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC001578656433 985269566 /nfs/dbraw/zinc/26/95/66/985269566.db2.gz IWBYACLFZIWTDK-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@]2(C)CCCCO2)C1 ZINC001578657301 985275434 /nfs/dbraw/zinc/27/54/34/985275434.db2.gz UVANSRMGNNFYOJ-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC2(O)CCCCCC2)C1 ZINC001578663559 985283558 /nfs/dbraw/zinc/28/35/58/985283558.db2.gz FPOCWJSFGUFWNO-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP C[NH2+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)C1CC1 ZINC001578677148 985290540 /nfs/dbraw/zinc/29/05/40/985290540.db2.gz XEBWEQRIOIMSFT-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001578687239 985293958 /nfs/dbraw/zinc/29/39/58/985293958.db2.gz SIJDXNQYEKKYFI-BDAKNGLRSA-N 2 1 204.264 1.183 20 0 BDADMP CNc1ccccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC001578764501 985327939 /nfs/dbraw/zinc/32/79/39/985327939.db2.gz XZNPIWNURTWQBK-LBPRGKRZSA-N 2 1 221.348 1.801 20 0 BDADMP COC(=O)C1(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC001578781342 985348316 /nfs/dbraw/zinc/34/83/16/985348316.db2.gz OFHBKLGPBPAZIL-NSHDSACASA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000688003947 985474350 /nfs/dbraw/zinc/47/43/50/985474350.db2.gz AVEWWLGKHXSYJY-JVGWCMFKSA-N 2 1 224.348 1.236 20 0 BDADMP CO[C@@H](CC(C)C)C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC001578900096 985479822 /nfs/dbraw/zinc/47/98/22/985479822.db2.gz BSKBRTZBTPXRBL-NWDGAFQWSA-N 2 1 228.380 1.717 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CCC1 ZINC001578908961 985502069 /nfs/dbraw/zinc/50/20/69/985502069.db2.gz NKKSODFEHGIKQN-RDBSUJKOSA-N 2 1 238.375 1.343 20 0 BDADMP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[NH2+]CC1 ZINC001578914614 985511669 /nfs/dbraw/zinc/51/16/69/985511669.db2.gz CRVCDJCZCLPUHJ-OAHLLOKOSA-N 2 1 248.370 1.539 20 0 BDADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC001578914614 985511689 /nfs/dbraw/zinc/51/16/89/985511689.db2.gz CRVCDJCZCLPUHJ-OAHLLOKOSA-N 2 1 248.370 1.539 20 0 BDADMP CO[C@H](C[NH2+][C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC001578913093 985519265 /nfs/dbraw/zinc/51/92/65/985519265.db2.gz RLSAUNGCDGOROW-UPJWGTAASA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000688046315 985528667 /nfs/dbraw/zinc/52/86/67/985528667.db2.gz BEPMYGLSYCJRJD-WZRBSPASSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCC2 ZINC001578935715 985541389 /nfs/dbraw/zinc/54/13/89/985541389.db2.gz KNDZQEAURZAWIA-WYUUTHIRSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000688054351 985544417 /nfs/dbraw/zinc/54/44/17/985544417.db2.gz WBQMQEBTCAEGJQ-GWCFXTLKSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000688053430 985544913 /nfs/dbraw/zinc/54/49/13/985544913.db2.gz NUJGDQGUDAVCPG-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP COCC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC001578981369 985605417 /nfs/dbraw/zinc/60/54/17/985605417.db2.gz FPEGMQZERBKXTA-NWDGAFQWSA-N 2 1 224.348 1.097 20 0 BDADMP COCC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC001578981369 985605431 /nfs/dbraw/zinc/60/54/31/985605431.db2.gz FPEGMQZERBKXTA-NWDGAFQWSA-N 2 1 224.348 1.097 20 0 BDADMP COCC1(C[NH2+][C@H]2C[NH2+]CC23CC3)CCC1 ZINC001578982949 985609200 /nfs/dbraw/zinc/60/92/00/985609200.db2.gz SICGRRDBXZFLSC-NSHDSACASA-N 2 1 224.348 1.145 20 0 BDADMP C[NH+](C)Cc1ccnc(C2=C[NH2+]CCC2)c1 ZINC001243948345 985629670 /nfs/dbraw/zinc/62/96/70/985629670.db2.gz BQFWAGGNSAIEOU-UHFFFAOYSA-N 2 1 217.316 1.868 20 0 BDADMP COCC[C@@H]([NH3+])C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC001578999533 985631652 /nfs/dbraw/zinc/63/16/52/985631652.db2.gz CTRMATBYCSJGSU-VXGBXAGGSA-N 2 1 246.395 1.079 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC001578999533 985631670 /nfs/dbraw/zinc/63/16/70/985631670.db2.gz CTRMATBYCSJGSU-VXGBXAGGSA-N 2 1 246.395 1.079 20 0 BDADMP COCC[C@H]([NH3+])C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC001578999531 985640261 /nfs/dbraw/zinc/64/02/61/985640261.db2.gz CTRMATBYCSJGSU-NWDGAFQWSA-N 2 1 246.395 1.079 20 0 BDADMP COCC[C@H]([NH3+])C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC001578999531 985640270 /nfs/dbraw/zinc/64/02/70/985640270.db2.gz CTRMATBYCSJGSU-NWDGAFQWSA-N 2 1 246.395 1.079 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001579113985 985749249 /nfs/dbraw/zinc/74/92/49/985749249.db2.gz CTVJBKSUGOTLSL-WRWGMCAJSA-N 2 1 212.337 1.284 20 0 BDADMP COc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1OC ZINC001579277294 985829344 /nfs/dbraw/zinc/82/93/44/985829344.db2.gz CKCQIXFEZMGFIR-PHIMTYICSA-N 2 1 236.315 1.283 20 0 BDADMP COc1nc(C[NH2+][C@H](C)CC[NH3+])ccc1C ZINC001579323764 985832414 /nfs/dbraw/zinc/83/24/14/985832414.db2.gz OYRXBBIFAAEFLJ-SNVBAGLBSA-N 2 1 223.320 1.226 20 0 BDADMP COc1nc(C[NH2+][C@@H](C)CC[NH3+])ccc1C ZINC001579323763 985833088 /nfs/dbraw/zinc/83/30/88/985833088.db2.gz OYRXBBIFAAEFLJ-JTQLQIEISA-N 2 1 223.320 1.226 20 0 BDADMP COc1nc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1C ZINC001579323675 985845639 /nfs/dbraw/zinc/84/56/39/985845639.db2.gz MLXNXUFBINCUMT-NEPJUHHUSA-N 2 1 249.358 1.344 20 0 BDADMP CS[C@H]1CC[C@H]1[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001579366921 985860103 /nfs/dbraw/zinc/86/01/03/985860103.db2.gz GOCWBDGHMZUXFU-RGOKHQFPSA-N 2 1 200.351 1.220 20 0 BDADMP C[C@@H]1C[N@H+](C[C@]2(C)CCCCO2)C[C@H]1[NH3+] ZINC001579440372 985924986 /nfs/dbraw/zinc/92/49/86/985924986.db2.gz YULUCSZNQRVIRQ-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCCCO2)C[C@H]1[NH3+] ZINC001579440372 985924993 /nfs/dbraw/zinc/92/49/93/985924993.db2.gz YULUCSZNQRVIRQ-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC001579454659 985940870 /nfs/dbraw/zinc/94/08/70/985940870.db2.gz TVIOAQQXCCMHBY-RQJABVFESA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC001579454661 985940985 /nfs/dbraw/zinc/94/09/85/985940985.db2.gz TVIOAQQXCCMHBY-ZOBORPQBSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](CCO)c1ccco1 ZINC001579459697 985958648 /nfs/dbraw/zinc/95/86/48/985958648.db2.gz QQMPFXUHQDYCOP-WOPDTQHZSA-N 2 1 238.331 1.148 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001579471038 985972005 /nfs/dbraw/zinc/97/20/05/985972005.db2.gz WMGZASCMRYDZNE-MQIGXGKASA-N 2 1 218.291 1.603 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC001579470870 985974061 /nfs/dbraw/zinc/97/40/61/985974061.db2.gz KVAVJNHNBUCSTA-YVECIDJPSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001579476828 985991794 /nfs/dbraw/zinc/99/17/94/985991794.db2.gz IVUGQOMSDVSMCM-GMTAPVOTSA-N 2 1 228.380 1.905 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[NH2+]C1)c1cccs1 ZINC001579485865 986007324 /nfs/dbraw/zinc/00/73/24/986007324.db2.gz VBOYATNIWLNUPK-ONGXEEELSA-N 2 1 226.345 1.123 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])C[C@H](C)O1 ZINC001579486693 986008539 /nfs/dbraw/zinc/00/85/39/986008539.db2.gz NZNSJFZCDPOKJB-MYJAWHEDSA-N 2 1 200.326 1.269 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(=O)[nH]c1 ZINC001276346751 986037648 /nfs/dbraw/zinc/03/76/48/986037648.db2.gz IJZIVXDCQDMKNK-YHWZYXNKSA-N 2 1 247.342 1.502 20 0 BDADMP C[C@H]1[C@@H](O)CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001579506159 986050900 /nfs/dbraw/zinc/05/09/00/986050900.db2.gz CVYBCHVAHNSZCQ-XQQFMLRXSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001579507932 986053370 /nfs/dbraw/zinc/05/33/70/986053370.db2.gz NUKCUQJLMATPRU-GWCFXTLKSA-N 2 1 220.316 1.100 20 0 BDADMP C[Si](C)(C[NH2+][C@H](C[NH3+])C1CC1)c1ccccc1 ZINC001579511966 986061325 /nfs/dbraw/zinc/06/13/25/986061325.db2.gz GDMGHPRNCBCOHG-CQSZACIVSA-N 2 1 248.446 1.468 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)C)[C@@H](C)C1 ZINC000305135519 986079566 /nfs/dbraw/zinc/07/95/66/986079566.db2.gz OJWDJLQDNIQFOR-MJBXVCDLSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cc(C)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2O)c1 ZINC001579581445 986091905 /nfs/dbraw/zinc/09/19/05/986091905.db2.gz SFFUJYCWXWGFLJ-ZIAGYGMSSA-N 2 1 234.343 1.116 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2O)cc1C ZINC001579696981 986192661 /nfs/dbraw/zinc/19/26/61/986192661.db2.gz QPLWMODQKMCOKA-KGLIPLIRSA-N 2 1 234.343 1.116 20 0 BDADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)CC[NH3+] ZINC001579806732 986226469 /nfs/dbraw/zinc/22/64/69/986226469.db2.gz JWLFLOXNMLAKGP-CHWSQXEVSA-N 2 1 236.359 1.698 20 0 BDADMP Cc1nc(CNC(=O)c2ccc(CN)o2)[nH]c1C ZINC001579858668 986281238 /nfs/dbraw/zinc/28/12/38/986281238.db2.gz KHGFLTKVEUYIHQ-UHFFFAOYSA-N 2 1 248.286 1.008 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC001579969388 986370499 /nfs/dbraw/zinc/37/04/99/986370499.db2.gz HNMJKZLFJKAJDD-UHTWSYAYSA-N 2 1 248.374 1.254 20 0 BDADMP Cn1cncc1C[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579985982 986390866 /nfs/dbraw/zinc/39/08/66/986390866.db2.gz QTHZAXVMSXOQDX-GXTWGEPZSA-N 2 1 248.374 1.371 20 0 BDADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1csnn1 ZINC000398366406 986479330 /nfs/dbraw/zinc/47/93/30/986479330.db2.gz NVBWKNQSBHNKOZ-VIFPVBQESA-N 2 1 240.376 1.531 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCOCC3)[C@H]2C1 ZINC001462668176 986492867 /nfs/dbraw/zinc/49/28/67/986492867.db2.gz MUBYTEQIIJKMDY-XUXIUFHCSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@H]2C1 ZINC001462664477 986497649 /nfs/dbraw/zinc/49/76/49/986497649.db2.gz GZEKPKDCDZDXNE-RNJOBUHISA-N 2 1 224.348 1.095 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000689473008 986652235 /nfs/dbraw/zinc/65/22/35/986652235.db2.gz WWPANKXZQHXZIP-DZGCQCFKSA-N 2 1 247.386 1.971 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@]3(CCO3)C2)CC1 ZINC001254527547 986669602 /nfs/dbraw/zinc/66/96/02/986669602.db2.gz ZRKJEXCYPTZQFI-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001254527547 986669613 /nfs/dbraw/zinc/66/96/13/986669613.db2.gz ZRKJEXCYPTZQFI-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001254527547 986669623 /nfs/dbraw/zinc/66/96/23/986669623.db2.gz ZRKJEXCYPTZQFI-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccoc2)C1 ZINC000379950482 986688873 /nfs/dbraw/zinc/68/88/73/986688873.db2.gz DZXYRAADYZSBSQ-NSHDSACASA-N 2 1 208.305 1.840 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC001580243404 986695665 /nfs/dbraw/zinc/69/56/65/986695665.db2.gz FPCYYJLDNCYUOY-GFCCVEGCSA-N 2 1 246.358 1.395 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn(C3CC3)cn2)C1 ZINC001580286549 986733287 /nfs/dbraw/zinc/73/32/87/986733287.db2.gz JDVSWFJFQUQDGW-LBPRGKRZSA-N 2 1 248.374 1.779 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC001580298602 986735823 /nfs/dbraw/zinc/73/58/23/986735823.db2.gz OXPZTFZSUMSSAK-ZDUSSCGKSA-N 2 1 234.343 1.879 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC001580372009 986798765 /nfs/dbraw/zinc/79/87/65/986798765.db2.gz LRCOUOVITXHRPQ-GHMZBOCLSA-N 2 1 246.314 1.582 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC001580429983 986847537 /nfs/dbraw/zinc/84/75/37/986847537.db2.gz FCXCVPHRWFCHKO-CZMCAQCFSA-N 2 1 211.696 1.314 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC000384055692 986842208 /nfs/dbraw/zinc/84/22/08/986842208.db2.gz XIQQOIPWLIEJEG-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CN1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255469892 986973070 /nfs/dbraw/zinc/97/30/70/986973070.db2.gz GITYFWLHGHXPEM-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1CO ZINC001255958065 987099350 /nfs/dbraw/zinc/09/93/50/987099350.db2.gz YECSTJSNPVKOGO-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001245998790 987276520 /nfs/dbraw/zinc/27/65/20/987276520.db2.gz ZHFRWOGFKHSMDG-RYUDHWBXSA-N 2 1 214.353 1.269 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001245997728 987279141 /nfs/dbraw/zinc/27/91/41/987279141.db2.gz XKLDJSIDMSICDZ-IHRRRGAJSA-N 2 1 242.407 1.905 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@H](O)c1ccccc1 ZINC001246001827 987285804 /nfs/dbraw/zinc/28/58/04/987285804.db2.gz ORTBZSQQSRXCPX-NEPJUHHUSA-N 2 1 208.305 1.047 20 0 BDADMP CCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246017508 987299855 /nfs/dbraw/zinc/29/98/55/987299855.db2.gz BBASKBZVFVIYEN-TUAOUCFPSA-N 2 1 214.353 1.207 20 0 BDADMP CCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246017508 987299862 /nfs/dbraw/zinc/29/98/62/987299862.db2.gz BBASKBZVFVIYEN-TUAOUCFPSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019622 987305703 /nfs/dbraw/zinc/30/57/03/987305703.db2.gz GPHXRWJDZACERQ-JSGCOSHPSA-N 2 1 242.407 1.844 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028361 987323870 /nfs/dbraw/zinc/32/38/70/987323870.db2.gz BFWUWWBTXDDOIV-STQMWFEESA-N 2 1 228.380 1.598 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027701 987324544 /nfs/dbraw/zinc/32/45/44/987324544.db2.gz YGXAODZFSLFGDB-CHWSQXEVSA-N 2 1 226.364 1.221 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246031909 987331183 /nfs/dbraw/zinc/33/11/83/987331183.db2.gz RJBKLDCTWJBMQW-UPJWGTAASA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246033672 987334730 /nfs/dbraw/zinc/33/47/30/987334730.db2.gz ONBDNLRCEUBGIT-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246033672 987334736 /nfs/dbraw/zinc/33/47/36/987334736.db2.gz ONBDNLRCEUBGIT-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246045890 987342436 /nfs/dbraw/zinc/34/24/36/987342436.db2.gz LNULWJKFQLYCLQ-AVGNSLFASA-N 2 1 226.364 1.351 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246045890 987342445 /nfs/dbraw/zinc/34/24/45/987342445.db2.gz LNULWJKFQLYCLQ-AVGNSLFASA-N 2 1 226.364 1.351 20 0 BDADMP Cc1ncc(C[NH2+]CC[C@H](C)[NH+](C)C)s1 ZINC000697888096 987364699 /nfs/dbraw/zinc/36/46/99/987364699.db2.gz HRNCYSGGXGQEHE-VIFPVBQESA-N 2 1 227.377 1.881 20 0 BDADMP C[C@H](CC[NH2+]Cc1cnn2ccccc12)[NH+](C)C ZINC000697858701 987365140 /nfs/dbraw/zinc/36/51/40/987365140.db2.gz MVUBXONSUOXAPU-GFCCVEGCSA-N 2 1 246.358 1.764 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246078325 987366925 /nfs/dbraw/zinc/36/69/25/987366925.db2.gz AHRGTXPTCKMFOK-LPWJVIDDSA-N 3 1 239.407 1.493 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697862480 987367575 /nfs/dbraw/zinc/36/75/75/987367575.db2.gz MRUMHBDZVVHTKG-RVMXOQNASA-N 2 1 208.349 1.703 20 0 BDADMP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000699213588 987374255 /nfs/dbraw/zinc/37/42/55/987374255.db2.gz ZZWFEVBMFXJQGM-LSPKCERGSA-N 2 1 238.375 1.626 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246084292 987381923 /nfs/dbraw/zinc/38/19/23/987381923.db2.gz YOHRQOWEGCPIGN-AAEUAGOBSA-N 2 1 219.332 1.620 20 0 BDADMP CCSC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246093930 987382571 /nfs/dbraw/zinc/38/25/71/987382571.db2.gz YSNNAQAXTWWFTA-GHMZBOCLSA-N 2 1 216.394 1.860 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090128 987392798 /nfs/dbraw/zinc/39/27/98/987392798.db2.gz JBSPLAGOSLTEEV-WDEREUQCSA-N 2 1 228.336 1.060 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC001246089878 987393491 /nfs/dbraw/zinc/39/34/91/987393491.db2.gz HKENUXHCVJGIHN-IJLUTSLNSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)C[NH2+]1 ZINC001246093671 987400859 /nfs/dbraw/zinc/40/08/59/987400859.db2.gz WDTWUWLQHNDFFJ-LPWJVIDDSA-N 2 1 226.364 1.410 20 0 BDADMP C[C@H]1CC[C@@H](C[NH2+]C2CCN(C)CC2)C[NH2+]1 ZINC001246103826 987426383 /nfs/dbraw/zinc/42/63/83/987426383.db2.gz XZMLHHNOYXPHGC-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246103073 987426965 /nfs/dbraw/zinc/42/69/65/987426965.db2.gz SQJYVHQPTCOALI-IKWCTNDRSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105428 987433690 /nfs/dbraw/zinc/43/36/90/987433690.db2.gz MMJQFBFHVIJOCJ-JSGCOSHPSA-N 3 1 239.407 1.496 20 0 BDADMP C[NH2+]C1CCC([NH2+]C[C@H]2CC[C@H](C)CN2)CC1 ZINC001246107426 987437755 /nfs/dbraw/zinc/43/77/55/987437755.db2.gz GTJZIVFDLIOTOP-GFJIZPEISA-N 2 1 239.407 1.495 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)[C@@H]1C ZINC001473476926 987447746 /nfs/dbraw/zinc/44/77/46/987447746.db2.gz KXNGSONFZBURGA-JQWIXIFHSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)[C@@H]1C ZINC001473476926 987447750 /nfs/dbraw/zinc/44/77/50/987447750.db2.gz KXNGSONFZBURGA-JQWIXIFHSA-N 2 1 223.320 1.037 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246117097 987460613 /nfs/dbraw/zinc/46/06/13/987460613.db2.gz IGWQXYIZXUNWRE-BEUHCMRWSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@H]1CC([NH2+][C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246119138 987464777 /nfs/dbraw/zinc/46/47/77/987464777.db2.gz CHYORXKJXVEOHM-DCAQKATOSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)CCO1 ZINC001246135263 987492448 /nfs/dbraw/zinc/49/24/48/987492448.db2.gz TVTBIPWXNKKJQF-UTUOFQBUSA-N 2 1 224.348 1.286 20 0 BDADMP CC[NH+](CC)CCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246160985 987520680 /nfs/dbraw/zinc/52/06/80/987520680.db2.gz IDBBJMDRNUYIMU-ZDUSSCGKSA-N 3 1 227.396 1.450 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N)CC[NH2+]1 ZINC001246166997 987526951 /nfs/dbraw/zinc/52/69/51/987526951.db2.gz UBFVRMPTGZDZDV-PWSUYJOCSA-N 2 1 219.332 1.499 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCCC[NH+](C)C)C[NH2+]1 ZINC001246174811 987542053 /nfs/dbraw/zinc/54/20/53/987542053.db2.gz XFHVDXSBHKUTDI-OLZOCXBDSA-N 3 1 227.396 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC(=O)C(C)(C)C)CC[NH2+]1 ZINC001246175987 987545369 /nfs/dbraw/zinc/54/53/69/987545369.db2.gz ONOACEWRNRUPHY-NXEZZACHSA-N 2 1 212.337 1.332 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC23CC[NH2+]CC3)C[NH2+]1 ZINC001246184487 987559266 /nfs/dbraw/zinc/55/92/66/987559266.db2.gz SKZLXBOEAFBPBA-JHJVBQTASA-N 3 1 237.391 1.106 20 0 BDADMP C[C@@H]1CC[C@@H](N[C@@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246190067 987579760 /nfs/dbraw/zinc/57/97/60/987579760.db2.gz OTEGNHNIELYWQX-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP CCCCOCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842327 987582681 /nfs/dbraw/zinc/58/26/81/987582681.db2.gz MUYALRIXGHKVNI-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CCCCOCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842327 987582691 /nfs/dbraw/zinc/58/26/91/987582691.db2.gz MUYALRIXGHKVNI-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CCCCOCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842327 987582698 /nfs/dbraw/zinc/58/26/98/987582698.db2.gz MUYALRIXGHKVNI-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CCCCOCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842327 987582709 /nfs/dbraw/zinc/58/27/09/987582709.db2.gz MUYALRIXGHKVNI-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP C(N[C@H]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC001246195316 987587780 /nfs/dbraw/zinc/58/77/80/987587780.db2.gz RDZWDXJNSUMNPH-STQMWFEESA-N 2 1 237.391 1.250 20 0 BDADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246204608 987597962 /nfs/dbraw/zinc/59/79/62/987597962.db2.gz ICGJICFAHTYCLG-IJLUTSLNSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246203459 987598164 /nfs/dbraw/zinc/59/81/64/987598164.db2.gz AVMBQERDJZMAAZ-SYQHCUMBSA-N 3 1 239.407 1.482 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001116499173 987607396 /nfs/dbraw/zinc/60/73/96/987607396.db2.gz YSMBKXQXURCKLZ-MCIONIFRSA-N 2 1 242.407 2.000 20 0 BDADMP c1cc(C2([NH2+]C3CC[NH2+]CC3)CC2)ccn1 ZINC001246212188 987609698 /nfs/dbraw/zinc/60/96/98/987609698.db2.gz QGTBHDOVUPGPIS-UHFFFAOYSA-N 2 1 217.316 1.412 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246216426 987613559 /nfs/dbraw/zinc/61/35/59/987613559.db2.gz JDNRTJROLKEMOC-RWMBFGLXSA-N 3 1 225.380 1.106 20 0 BDADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001246221371 987619030 /nfs/dbraw/zinc/61/90/30/987619030.db2.gz IMXOQQWDDRJQIG-FUNVUKJBSA-N 2 1 232.331 1.158 20 0 BDADMP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCCNC1 ZINC001246229496 987626773 /nfs/dbraw/zinc/62/67/73/987626773.db2.gz JVVNRDNNHSNANO-STQMWFEESA-N 2 1 225.380 1.108 20 0 BDADMP c1ccc(CCCC[NH2+][C@H]2CCC[NH2+]C2)nc1 ZINC001246237135 987635205 /nfs/dbraw/zinc/63/52/05/987635205.db2.gz GXGPOPRXKVCYHV-AWEZNQCLSA-N 2 1 233.359 1.746 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccnc1 ZINC001246237809 987635428 /nfs/dbraw/zinc/63/54/28/987635428.db2.gz IIKOHNYVURBVNE-CYBMUJFWSA-N 2 1 219.332 1.874 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC001246251992 987652053 /nfs/dbraw/zinc/65/20/53/987652053.db2.gz PWIYDUBDPYDVJC-NTZNESFSSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[NH2+]1 ZINC001246270008 987665246 /nfs/dbraw/zinc/66/52/46/987665246.db2.gz ZVBGIFIOZXMCIC-NWDGAFQWSA-N 3 1 227.396 1.447 20 0 BDADMP CCCNCC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246269831 987665362 /nfs/dbraw/zinc/66/53/62/987665362.db2.gz LMOIAWNRHQZPCF-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP CCCNCC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246269828 987665653 /nfs/dbraw/zinc/66/56/53/987665653.db2.gz LLJFTNVBBTWYOM-KGLIPLIRSA-N 2 1 239.407 1.498 20 0 BDADMP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246270267 987667390 /nfs/dbraw/zinc/66/73/90/987667390.db2.gz FLOBLSRXJDPKQM-GRYCIOLGSA-N 2 1 226.364 1.864 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246279922 987672198 /nfs/dbraw/zinc/67/21/98/987672198.db2.gz OFKDVKFOWMWQFX-WYUUTHIRSA-N 2 1 240.347 1.058 20 0 BDADMP CCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246299154 987692892 /nfs/dbraw/zinc/69/28/92/987692892.db2.gz JXILKYLJVWXTMM-GRYCIOLGSA-N 2 1 214.353 1.125 20 0 BDADMP CCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246299487 987692902 /nfs/dbraw/zinc/69/29/02/987692902.db2.gz LDADDNSNEDJPLG-AGIUHOORSA-N 2 1 228.380 1.515 20 0 BDADMP CCCC(CCC)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246299531 987693649 /nfs/dbraw/zinc/69/36/49/987693649.db2.gz LRVHMKGIQULNDI-JQWIXIFHSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCC(C)(C)O)C[NH2+]1 ZINC001246299759 987693922 /nfs/dbraw/zinc/69/39/22/987693922.db2.gz KPZRQNWZHPUUMS-MNOVXSKESA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCC(C)(C)O)C[NH2+]1 ZINC001246299761 987693950 /nfs/dbraw/zinc/69/39/50/987693950.db2.gz KPZRQNWZHPUUMS-QWRGUYRKSA-N 2 1 214.353 1.268 20 0 BDADMP CC[N@@H+](CCCO)CC1CC[NH+](CC)CC1 ZINC001474351234 987694964 /nfs/dbraw/zinc/69/49/64/987694964.db2.gz GVVDFCJXCNBPEZ-UHFFFAOYSA-N 2 1 228.380 1.423 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246300372 987698442 /nfs/dbraw/zinc/69/84/42/987698442.db2.gz NGACYALOXLAGGP-QWHCGFSZSA-N 3 1 239.407 1.768 20 0 BDADMP CC(C)C1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246303175 987700176 /nfs/dbraw/zinc/70/01/76/987700176.db2.gz DWOFYKVRGCSNOL-HHTDUIENSA-N 2 1 240.391 1.371 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306661 987703871 /nfs/dbraw/zinc/70/38/71/987703871.db2.gz RHFBROUPAIWLTA-WUHRBBMRSA-N 3 1 227.396 1.623 20 0 BDADMP CC[C@H]([NH3+])CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246309888 987711282 /nfs/dbraw/zinc/71/12/82/987711282.db2.gz BJDBRTZAECGEGB-WODVXLOZSA-N 2 1 225.380 1.329 20 0 BDADMP Oc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246313066 987716748 /nfs/dbraw/zinc/71/67/48/987716748.db2.gz XMRUGLQBDCVVQR-KGLIPLIRSA-N 2 1 246.354 1.591 20 0 BDADMP CC[C@@H](N)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001246316391 987719369 /nfs/dbraw/zinc/71/93/69/987719369.db2.gz ZFNPHNPHLQFBCO-GFCCVEGCSA-N 2 1 248.374 1.377 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC001246330734 987735331 /nfs/dbraw/zinc/73/53/31/987735331.db2.gz SYVTUYMSFGYBML-KOLCDFICSA-N 2 1 212.337 1.474 20 0 BDADMP C[C@@H](Cc1ccc(O)cc1)N[C@@H]1CCC[NH2+]C1 ZINC001246351778 987758824 /nfs/dbraw/zinc/75/88/24/987758824.db2.gz NYZOSUCUURZMBE-WCQYABFASA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246351778 987758830 /nfs/dbraw/zinc/75/88/30/987758830.db2.gz NYZOSUCUURZMBE-WCQYABFASA-N 2 1 234.343 1.665 20 0 BDADMP C[C@H]1CC[C@H](NCC[C@H]2CCC[N@H+]2C)C[NH2+]1 ZINC001246357812 987764068 /nfs/dbraw/zinc/76/40/68/987764068.db2.gz ARYLRDCYZFVYER-RWMBFGLXSA-N 2 1 225.380 1.201 20 0 BDADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246358359 987767237 /nfs/dbraw/zinc/76/72/37/987767237.db2.gz OWHHRUSPNMPCJL-NWDGAFQWSA-N 2 1 242.363 1.450 20 0 BDADMP COC(=O)CCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246357962 987768435 /nfs/dbraw/zinc/76/84/35/987768435.db2.gz WUEHGQVVAJSHJW-GHMZBOCLSA-N 2 1 228.336 1.060 20 0 BDADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001246365456 987771061 /nfs/dbraw/zinc/77/10/61/987771061.db2.gz XHYKJXJVESITTR-STQMWFEESA-N 2 1 239.407 1.591 20 0 BDADMP CC1(C)C[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC001246370520 987772002 /nfs/dbraw/zinc/77/20/02/987772002.db2.gz HZLHYUVVIJMXTI-NWDGAFQWSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246372385 987776616 /nfs/dbraw/zinc/77/66/16/987776616.db2.gz LKONMYBYIJAXBN-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246371752 987777043 /nfs/dbraw/zinc/77/70/43/987777043.db2.gz JPYROPPBZWWNRA-HNGCFSAESA-N 3 1 237.391 1.247 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)CC1CC1 ZINC001246401745 987782235 /nfs/dbraw/zinc/78/22/35/987782235.db2.gz ONYDXAITWDIQEH-ONGXEEELSA-N 2 1 228.336 1.045 20 0 BDADMP CC[C@H](CC(C)C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401049 987782751 /nfs/dbraw/zinc/78/27/51/987782751.db2.gz IMMGRGPQOKADCB-NEPJUHHUSA-N 2 1 244.379 1.681 20 0 BDADMP CCCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401771 987783744 /nfs/dbraw/zinc/78/37/44/987783744.db2.gz OVIWEVXHLTUAOQ-NEPJUHHUSA-N 2 1 244.379 1.825 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCC(C)(C)C1 ZINC001246400321 987785376 /nfs/dbraw/zinc/78/53/76/987785376.db2.gz FDAXSLUJCGDENT-QWRGUYRKSA-N 2 1 242.363 1.435 20 0 BDADMP CCC1([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCOCC1 ZINC001246442444 987798204 /nfs/dbraw/zinc/79/82/04/987798204.db2.gz SGKMPFVQGQLFJQ-RYUDHWBXSA-N 2 1 226.364 1.676 20 0 BDADMP CCC1([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCOCC1 ZINC001246442442 987800167 /nfs/dbraw/zinc/80/01/67/987800167.db2.gz SGKMPFVQGQLFJQ-NEPJUHHUSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246454321 987808480 /nfs/dbraw/zinc/80/84/80/987808480.db2.gz RSFUGZLBFPHPDB-GFCCVEGCSA-N 3 1 239.363 1.129 20 0 BDADMP CC(C)NCC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246455546 987812238 /nfs/dbraw/zinc/81/22/38/987812238.db2.gz XOWHAMHGNHADCE-KBPBESRZSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C[NH2+]1 ZINC001246460551 987820535 /nfs/dbraw/zinc/82/05/35/987820535.db2.gz UVMGKUWEXODURW-UJPOAAIJSA-N 2 1 208.349 1.905 20 0 BDADMP Cc1ncncc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246473220 987831347 /nfs/dbraw/zinc/83/13/47/987831347.db2.gz HFOHTKYOPXNISL-BXKDBHETSA-N 2 1 220.320 1.015 20 0 BDADMP CC1(C)CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2)C1 ZINC001246491517 987848005 /nfs/dbraw/zinc/84/80/05/987848005.db2.gz SRCQWKJLLCONSE-VXGBXAGGSA-N 2 1 225.380 1.106 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246498206 987854301 /nfs/dbraw/zinc/85/43/01/987854301.db2.gz GZCXZGAYQOGEGZ-LOWDOPEQSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246513321 987861530 /nfs/dbraw/zinc/86/15/30/987861530.db2.gz COMUAJFBBCBSOJ-LERXQTSPSA-N 3 1 237.391 1.105 20 0 BDADMP C1C[NH2+]C[C@@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001246524525 987875739 /nfs/dbraw/zinc/87/57/39/987875739.db2.gz GIEPHFQGXATFSD-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+]C[C@@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001246524525 987875742 /nfs/dbraw/zinc/87/57/42/987875742.db2.gz GIEPHFQGXATFSD-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+]1CCC[NH2+]CC1 ZINC001246525988 987877490 /nfs/dbraw/zinc/87/74/90/987877490.db2.gz VBACOSQXHWKEQN-GFCCVEGCSA-N 2 1 219.332 1.308 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1CCC[NH2+]CC1 ZINC001246525988 987877495 /nfs/dbraw/zinc/87/74/95/987877495.db2.gz VBACOSQXHWKEQN-GFCCVEGCSA-N 2 1 219.332 1.308 20 0 BDADMP C1CO[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246526247 987877643 /nfs/dbraw/zinc/87/76/43/987877643.db2.gz OQSRLTPNHLAJJK-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP C1CO[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246526247 987877646 /nfs/dbraw/zinc/87/76/46/987877646.db2.gz OQSRLTPNHLAJJK-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246528905 987884038 /nfs/dbraw/zinc/88/40/38/987884038.db2.gz IUEVLJSWFNKPMZ-DGCLKSJQSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246528905 987884041 /nfs/dbraw/zinc/88/40/41/987884041.db2.gz IUEVLJSWFNKPMZ-DGCLKSJQSA-N 2 1 241.379 1.057 20 0 BDADMP N[C@@H]1C[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535038 987893981 /nfs/dbraw/zinc/89/39/81/987893981.db2.gz UZGZGYUIIVYCBU-BFHYXJOUSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535038 987893985 /nfs/dbraw/zinc/89/39/85/987893985.db2.gz UZGZGYUIIVYCBU-BFHYXJOUSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535038 987893987 /nfs/dbraw/zinc/89/39/87/987893987.db2.gz UZGZGYUIIVYCBU-BFHYXJOUSA-N 3 1 249.402 1.332 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C[C@@H](O)C2)CC(C)(C)C1 ZINC001246538103 987896972 /nfs/dbraw/zinc/89/69/72/987896972.db2.gz GLTNDKPBYKVZCB-FVCCEPFGSA-N 2 1 240.391 1.595 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C[C@@H](O)C2)CC(C)(C)C1 ZINC001246538103 987896975 /nfs/dbraw/zinc/89/69/75/987896975.db2.gz GLTNDKPBYKVZCB-FVCCEPFGSA-N 2 1 240.391 1.595 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])C[C@H](O)C2)CC(C)(C)C1 ZINC001246538108 987898605 /nfs/dbraw/zinc/89/86/05/987898605.db2.gz GLTNDKPBYKVZCB-VOAKCMCISA-N 2 1 240.391 1.595 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])C[C@H](O)C2)CC(C)(C)C1 ZINC001246538108 987898611 /nfs/dbraw/zinc/89/86/11/987898611.db2.gz GLTNDKPBYKVZCB-VOAKCMCISA-N 2 1 240.391 1.595 20 0 BDADMP C[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C[NH3+] ZINC001246540529 987903139 /nfs/dbraw/zinc/90/31/39/987903139.db2.gz JTQYIAWLINPYRS-VJTDZRGJSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C[NH3+] ZINC001246540529 987903147 /nfs/dbraw/zinc/90/31/47/987903147.db2.gz JTQYIAWLINPYRS-VJTDZRGJSA-N 2 1 237.391 1.138 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C[NH3+] ZINC001246540529 987903157 /nfs/dbraw/zinc/90/31/57/987903157.db2.gz JTQYIAWLINPYRS-VJTDZRGJSA-N 2 1 237.391 1.138 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C[NH3+] ZINC001246540529 987903163 /nfs/dbraw/zinc/90/31/63/987903163.db2.gz JTQYIAWLINPYRS-VJTDZRGJSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C[NH3+] ZINC001246540529 987903172 /nfs/dbraw/zinc/90/31/72/987903172.db2.gz JTQYIAWLINPYRS-VJTDZRGJSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540927 987903763 /nfs/dbraw/zinc/90/37/63/987903763.db2.gz KQSHKLKVCKRRIE-SGMGOOAPSA-N 2 1 233.359 1.539 20 0 BDADMP COC(=O)CC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544928 987918210 /nfs/dbraw/zinc/91/82/10/987918210.db2.gz IGSXLCNXVBQSCO-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246551030 987941895 /nfs/dbraw/zinc/94/18/95/987941895.db2.gz JYDQTPGYGOOANH-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246551030 987941903 /nfs/dbraw/zinc/94/19/03/987941903.db2.gz JYDQTPGYGOOANH-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CO1 ZINC001246551700 987953440 /nfs/dbraw/zinc/95/34/40/987953440.db2.gz MLQZNXIRPRXCIN-YPMHNXCESA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246552536 987954174 /nfs/dbraw/zinc/95/41/74/987954174.db2.gz PQCSGONUVLUNME-JPIWQCGSSA-N 2 1 212.312 1.702 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246552536 987954181 /nfs/dbraw/zinc/95/41/81/987954181.db2.gz PQCSGONUVLUNME-JPIWQCGSSA-N 2 1 212.312 1.702 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246554335 987960603 /nfs/dbraw/zinc/96/06/03/987960603.db2.gz ZSUGJWIEHREVLM-AVGNSLFASA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](C2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246554335 987960611 /nfs/dbraw/zinc/96/06/11/987960611.db2.gz ZSUGJWIEHREVLM-AVGNSLFASA-N 3 1 239.407 1.447 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)n[nH]2)C1 ZINC001321650859 987960755 /nfs/dbraw/zinc/96/07/55/987960755.db2.gz XMMOOTWNFAZTRS-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)n[nH]2)C1 ZINC001321650859 987960759 /nfs/dbraw/zinc/96/07/59/987960759.db2.gz XMMOOTWNFAZTRS-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC001246555438 987968425 /nfs/dbraw/zinc/96/84/25/987968425.db2.gz FDVLLTWPBMAWRS-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC001246555432 987968446 /nfs/dbraw/zinc/96/84/46/987968446.db2.gz FDVLLTWPBMAWRS-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC001118058465 987995075 /nfs/dbraw/zinc/99/50/75/987995075.db2.gz KHJFXKWKDUPNAY-ZYHUDNBSSA-N 2 1 236.363 1.385 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC001118058462 987999074 /nfs/dbraw/zinc/99/90/74/987999074.db2.gz KHJFXKWKDUPNAY-CMPLNLGQSA-N 2 1 236.363 1.385 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H](CO)CC[C@H]2C)CC[NH2+]1 ZINC001246563235 988006035 /nfs/dbraw/zinc/00/60/35/988006035.db2.gz CJCGOLYJTHVKLM-NDBYEHHHSA-N 2 1 226.364 1.220 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CO1 ZINC001246562800 988007465 /nfs/dbraw/zinc/00/74/65/988007465.db2.gz WKQMGLKQJGZRKC-AAEUAGOBSA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCSC2)CCC[C@H]1C[NH3+] ZINC001246563999 988015363 /nfs/dbraw/zinc/01/53/63/988015363.db2.gz DOTMTCXXTDMRRH-WOPDTQHZSA-N 2 1 228.405 1.799 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CN1 ZINC001246564683 988019138 /nfs/dbraw/zinc/01/91/38/988019138.db2.gz FXGNEGGAGLFIOE-MQYQWHSLSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CN1 ZINC001246564683 988019153 /nfs/dbraw/zinc/01/91/53/988019153.db2.gz FXGNEGGAGLFIOE-MQYQWHSLSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246564972 988021564 /nfs/dbraw/zinc/02/15/64/988021564.db2.gz ZDMFORNRHUWJSW-AAVRWANBSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001246570761 988051351 /nfs/dbraw/zinc/05/13/51/988051351.db2.gz VJOFQHFFTRSHNG-NEPJUHHUSA-N 2 1 225.380 1.045 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CO1 ZINC001246574437 988066977 /nfs/dbraw/zinc/06/69/77/988066977.db2.gz YBYVDZLCEDXVAI-HBNTYKKESA-N 2 1 230.327 1.315 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CO1 ZINC001246574437 988066991 /nfs/dbraw/zinc/06/69/91/988066991.db2.gz YBYVDZLCEDXVAI-HBNTYKKESA-N 2 1 230.327 1.315 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246573449 988067707 /nfs/dbraw/zinc/06/77/07/988067707.db2.gz COQFZENLOMTWPH-OLZOCXBDSA-N 2 1 243.370 1.234 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC[C@H]1F ZINC001246574364 988069940 /nfs/dbraw/zinc/06/99/40/988069940.db2.gz XYHDMPPEXJQHEA-ZLOUSURVSA-N 2 1 240.322 1.234 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC[C@H]1F ZINC001246574364 988069953 /nfs/dbraw/zinc/06/99/53/988069953.db2.gz XYHDMPPEXJQHEA-ZLOUSURVSA-N 2 1 240.322 1.234 20 0 BDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001246573053 988073863 /nfs/dbraw/zinc/07/38/63/988073863.db2.gz YSIPBAQRBGQHTL-VXGBXAGGSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246573801 988074089 /nfs/dbraw/zinc/07/40/89/988074089.db2.gz ZDMFORNRHUWJSW-ZOBORPQBSA-N 3 1 239.407 1.434 20 0 BDADMP CCCCCC[C@H](CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246579726 988097767 /nfs/dbraw/zinc/09/77/67/988097767.db2.gz GTCPLXZXBROAEL-IHRRRGAJSA-N 2 1 242.407 1.987 20 0 BDADMP CCCC(CCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578670 988098022 /nfs/dbraw/zinc/09/80/22/988098022.db2.gz HEESHTSCDFQATD-JQWIXIFHSA-N 2 1 214.353 1.207 20 0 BDADMP CCC1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246581793 988108658 /nfs/dbraw/zinc/10/86/58/988108658.db2.gz VDURRWJFGYBKBL-MVKMKZAISA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H]1C[C@@H](CF)[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246580860 988112514 /nfs/dbraw/zinc/11/25/14/988112514.db2.gz NYLGPPXPBUDYKP-QCNOEVLYSA-N 2 1 214.328 1.807 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246583491 988123152 /nfs/dbraw/zinc/12/31/52/988123152.db2.gz GYSZTULAABRBSH-FVCCEPFGSA-N 2 1 244.354 1.705 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246583491 988123155 /nfs/dbraw/zinc/12/31/55/988123155.db2.gz GYSZTULAABRBSH-FVCCEPFGSA-N 2 1 244.354 1.705 20 0 BDADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583030 988125217 /nfs/dbraw/zinc/12/52/17/988125217.db2.gz IJRSNOVVRGQGIN-YIYPIFLZSA-N 2 1 242.407 1.699 20 0 BDADMP CCCC[C@@H](CC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246584027 988126577 /nfs/dbraw/zinc/12/65/77/988126577.db2.gz KYKMXSYOMKJKMV-QJPTWQEYSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C ZINC001246583840 988127055 /nfs/dbraw/zinc/12/70/55/988127055.db2.gz LBKOUFCQXWAAIJ-MOLYVOAJSA-N 2 1 226.364 1.063 20 0 BDADMP C[C@H]1CC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@H](C)C1 ZINC001246588362 988155326 /nfs/dbraw/zinc/15/53/26/988155326.db2.gz YZYVOICBZIUTPA-DCQANWLSSA-N 2 1 226.364 1.063 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593435 988174494 /nfs/dbraw/zinc/17/44/94/988174494.db2.gz NDVQYXUNTBPJQT-CHWSQXEVSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2CCSCC2)CC[C@@H]1F ZINC001246594968 988186020 /nfs/dbraw/zinc/18/60/20/988186020.db2.gz XIPBUAJNTLVBJL-WDEREUQCSA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2CCSCC2)CC[C@@H]1F ZINC001246594968 988186031 /nfs/dbraw/zinc/18/60/31/988186031.db2.gz XIPBUAJNTLVBJL-WDEREUQCSA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2CCSCC2)CC[C@H]1F ZINC001246594956 988191187 /nfs/dbraw/zinc/19/11/87/988191187.db2.gz XIPBUAJNTLVBJL-GHMZBOCLSA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2CCSCC2)CC[C@H]1F ZINC001246594956 988191198 /nfs/dbraw/zinc/19/11/98/988191198.db2.gz XIPBUAJNTLVBJL-GHMZBOCLSA-N 2 1 232.368 1.643 20 0 BDADMP CC[C@@H]1CC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638308 988334439 /nfs/dbraw/zinc/33/44/39/988334439.db2.gz RTCRUKWZFLVFPA-MGPQQGTHSA-N 2 1 237.391 1.202 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246647389 988365005 /nfs/dbraw/zinc/36/50/05/988365005.db2.gz SQIVFLPLKSHTEL-XQLPTFJDSA-N 3 1 249.402 1.202 20 0 BDADMP C1C[C@]2(CO1)CCC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246648199 988373403 /nfs/dbraw/zinc/37/34/03/988373403.db2.gz PDZOITXIBOTHOD-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@]2(CO1)CCC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246648199 988373415 /nfs/dbraw/zinc/37/34/15/988373415.db2.gz PDZOITXIBOTHOD-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@H]2C[N@H+](C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001246653952 988377793 /nfs/dbraw/zinc/37/77/93/988377793.db2.gz GARWNBFVOQGCQE-RYUDHWBXSA-N 2 1 208.349 1.860 20 0 BDADMP C1C[C@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001246653952 988377798 /nfs/dbraw/zinc/37/77/98/988377798.db2.gz GARWNBFVOQGCQE-RYUDHWBXSA-N 2 1 208.349 1.860 20 0 BDADMP C1C[C@H]2C[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]2[NH2+]1 ZINC001246655299 988384955 /nfs/dbraw/zinc/38/49/55/988384955.db2.gz YWVZJXLOVQZMMP-BFHYXJOUSA-N 3 1 249.402 1.202 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246661305 988393833 /nfs/dbraw/zinc/39/38/33/988393833.db2.gz LAJOPWKEMIYYIE-JQWIXIFHSA-N 2 1 234.347 1.148 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246665749 988404194 /nfs/dbraw/zinc/40/41/94/988404194.db2.gz PZNKBFGRACXZMY-UMVBOHGHSA-N 3 1 249.402 1.474 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246665749 988404201 /nfs/dbraw/zinc/40/42/01/988404201.db2.gz PZNKBFGRACXZMY-UMVBOHGHSA-N 3 1 249.402 1.474 20 0 BDADMP C[C@@H]1CCCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246768090 988454107 /nfs/dbraw/zinc/45/41/07/988454107.db2.gz FDCJHGHNCCOYAW-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCCO3)CC2)CC[NH2+]1 ZINC001246803835 988484665 /nfs/dbraw/zinc/48/46/65/988484665.db2.gz DLXSJMZXSCPYGB-STQMWFEESA-N 2 1 238.375 1.772 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810479 988492759 /nfs/dbraw/zinc/49/27/59/988492759.db2.gz WZCYFCKQILXWKC-IEECTRCBSA-N 3 1 223.364 1.081 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810479 988492768 /nfs/dbraw/zinc/49/27/68/988492768.db2.gz WZCYFCKQILXWKC-IEECTRCBSA-N 3 1 223.364 1.081 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cccnc2)CC[NH2+]1 ZINC001246814449 988494071 /nfs/dbraw/zinc/49/40/71/988494071.db2.gz PFFFWGXPPJXRGH-OCCSQVGLSA-N 2 1 233.359 1.696 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC001323560455 988550628 /nfs/dbraw/zinc/55/06/28/988550628.db2.gz KTYWCEJHXAMIAR-HSBZDZAISA-N 2 1 240.391 1.611 20 0 BDADMP CC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246850916 988574649 /nfs/dbraw/zinc/57/46/49/988574649.db2.gz KCHXQFSJADVJCY-WXHSDQCUSA-N 2 1 224.348 1.428 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCOC3)CC[NH2+]1 ZINC001246855067 988582797 /nfs/dbraw/zinc/58/27/97/988582797.db2.gz SGLCLDWCIZICLW-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP CC(=O)[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246859371 988584214 /nfs/dbraw/zinc/58/42/14/988584214.db2.gz DGZJDGHAKBHPOM-QNMSZWNNSA-N 2 1 236.359 1.713 20 0 BDADMP CC(=O)[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246859371 988584219 /nfs/dbraw/zinc/58/42/19/988584219.db2.gz DGZJDGHAKBHPOM-QNMSZWNNSA-N 2 1 236.359 1.713 20 0 BDADMP COC1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246859327 988585137 /nfs/dbraw/zinc/58/51/37/988585137.db2.gz JUOLIAMKOGSWDZ-IKWCTNDRSA-N 2 1 224.348 1.367 20 0 BDADMP CSCC[C@@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859555 988587702 /nfs/dbraw/zinc/58/77/02/988587702.db2.gz LGNIHJSBJVXEDK-YIBTVLSRSA-N 2 1 244.404 1.034 20 0 BDADMP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861092 988597566 /nfs/dbraw/zinc/59/75/66/988597566.db2.gz QKNUFLZNAUPLJE-RQICVUQASA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC3(C2)C[C@H](F)CS3)CC[NH2+]1 ZINC001246863783 988614565 /nfs/dbraw/zinc/61/45/65/988614565.db2.gz ZBAPQYJQYKVXFB-OUAUKWLOSA-N 2 1 244.379 1.656 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCC3(CC3)CC1)C2 ZINC001246868046 988628839 /nfs/dbraw/zinc/62/88/39/988628839.db2.gz JQGHVRKZWYCBOA-ZWNOBZJWSA-N 2 1 206.333 1.742 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCC3(CC3)CC1)C2 ZINC001246868046 988628846 /nfs/dbraw/zinc/62/88/46/988628846.db2.gz JQGHVRKZWYCBOA-ZWNOBZJWSA-N 2 1 206.333 1.742 20 0 BDADMP CC(=O)[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246896225 988669911 /nfs/dbraw/zinc/66/99/11/988669911.db2.gz VWTYNNFRRCFKBC-USWWRNFRSA-N 2 1 210.321 1.038 20 0 BDADMP CCC1(N)C[NH+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246896704 988670684 /nfs/dbraw/zinc/67/06/84/988670684.db2.gz ZHZUNELCTJOATB-STQMWFEESA-N 2 1 237.391 1.332 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246896224 988671546 /nfs/dbraw/zinc/67/15/46/988671546.db2.gz VWTYNNFRRCFKBC-MVWJERBFSA-N 2 1 210.321 1.038 20 0 BDADMP CCC[C@H]1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1 ZINC001246896866 988672189 /nfs/dbraw/zinc/67/21/89/988672189.db2.gz BKKYUFAFPQQNRY-RFQIPJPRSA-N 2 1 237.391 1.058 20 0 BDADMP CCC[C@H]1CN([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC001246896866 988672205 /nfs/dbraw/zinc/67/22/05/988672205.db2.gz BKKYUFAFPQQNRY-RFQIPJPRSA-N 2 1 237.391 1.058 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246917566 988717833 /nfs/dbraw/zinc/71/78/33/988717833.db2.gz KCHVGHPJXLJOJN-RYSNWHEDSA-N 3 1 239.407 1.589 20 0 BDADMP c1ccc2c(c1)CCC([N@@H+]1C[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246922697 988743487 /nfs/dbraw/zinc/74/34/87/988743487.db2.gz WMYBHRZRIXDKQB-GDBMZVCRSA-N 2 1 242.366 1.838 20 0 BDADMP c1ccc2c(c1)CCC([N@H+]1C[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246922697 988743510 /nfs/dbraw/zinc/74/35/10/988743510.db2.gz WMYBHRZRIXDKQB-GDBMZVCRSA-N 2 1 242.366 1.838 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246932033 988759404 /nfs/dbraw/zinc/75/94/04/988759404.db2.gz OUYJBRFVNGLPRX-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH2+]1 ZINC001246944558 988782271 /nfs/dbraw/zinc/78/22/71/988782271.db2.gz HVQWBOREVSHHAH-FRRDWIJNSA-N 2 1 249.362 1.056 20 0 BDADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246976477 988805019 /nfs/dbraw/zinc/80/50/19/988805019.db2.gz QQFJMVGSLABXJS-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246976477 988805021 /nfs/dbraw/zinc/80/50/21/988805021.db2.gz QQFJMVGSLABXJS-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP [NH3+][C@@H]1C[N@@H+](C2CCCCCCC2)CC12COC2 ZINC001246985544 988815395 /nfs/dbraw/zinc/81/53/95/988815395.db2.gz BHUIRPCOJFOKMH-CYBMUJFWSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+][C@@H]1C[N@H+](C2CCCCCCC2)CC12COC2 ZINC001246985544 988815399 /nfs/dbraw/zinc/81/53/99/988815399.db2.gz BHUIRPCOJFOKMH-CYBMUJFWSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246981905 988817449 /nfs/dbraw/zinc/81/74/49/988817449.db2.gz UHLHBOCVRARAJZ-RVMXOQNASA-N 2 1 225.380 1.281 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]2CF)CC[NH2+]1 ZINC001246990068 988820773 /nfs/dbraw/zinc/82/07/73/988820773.db2.gz UQMYQJHLUZKUFH-HBNTYKKESA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2CF)CC[NH2+]1 ZINC001246990068 988820775 /nfs/dbraw/zinc/82/07/75/988820775.db2.gz UQMYQJHLUZKUFH-HBNTYKKESA-N 2 1 200.301 1.561 20 0 BDADMP COC(=O)[C@@]1(C)CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000381 988831438 /nfs/dbraw/zinc/83/14/38/988831438.db2.gz ICXCBLVSZAKXHT-MDZLAQPJSA-N 2 1 240.347 1.012 20 0 BDADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccncc2)no1 ZINC001247696229 988982896 /nfs/dbraw/zinc/98/28/96/988982896.db2.gz ROMHJFADFJMIAQ-JTQLQIEISA-N 2 1 247.302 1.260 20 0 BDADMP C[N@H+]1C[C@@H]2CCCN(c3cc[nH+]cc3)[C@@H]2C1 ZINC001515221898 989006028 /nfs/dbraw/zinc/00/60/28/989006028.db2.gz JOXNDXJSQMELOY-WCQYABFASA-N 2 1 217.316 1.612 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC2CC2)CC[C@H]1C[NH3+] ZINC001119617606 989247651 /nfs/dbraw/zinc/24/76/51/989247651.db2.gz RQYCABCLNZTJKD-YPMHNXCESA-N 2 1 226.364 1.330 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC001326036496 989337555 /nfs/dbraw/zinc/33/75/55/989337555.db2.gz HRGSPGCTVHUCRU-RWMBFGLXSA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC001326036496 989337570 /nfs/dbraw/zinc/33/75/70/989337570.db2.gz HRGSPGCTVHUCRU-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC001326036496 989337586 /nfs/dbraw/zinc/33/75/86/989337586.db2.gz HRGSPGCTVHUCRU-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC001119699495 989344453 /nfs/dbraw/zinc/34/44/53/989344453.db2.gz RKZAJOWFUKPTPF-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001119699497 989345079 /nfs/dbraw/zinc/34/50/79/989345079.db2.gz RKZAJOWFUKPTPF-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC001326472610 989557832 /nfs/dbraw/zinc/55/78/32/989557832.db2.gz DJAKZHYSHOUCOD-GRYCIOLGSA-N 3 1 213.369 1.092 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC001326688033 989654381 /nfs/dbraw/zinc/65/43/81/989654381.db2.gz MZZSKYQQHYKABO-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC001120809132 989894805 /nfs/dbraw/zinc/89/48/05/989894805.db2.gz CCNKRVLLMOTVEF-JTQLQIEISA-N 2 1 235.335 1.026 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000225100690 990887865 /nfs/dbraw/zinc/88/78/65/990887865.db2.gz OTKSAYFTKWFPIR-GXTWGEPZSA-N 2 1 234.343 1.261 20 0 BDADMP CCc1ncc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC001308346253 990972434 /nfs/dbraw/zinc/97/24/34/990972434.db2.gz FVECMPSXMNYOAB-UHFFFAOYSA-N 2 1 246.358 1.391 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+]CCC[N@@H+](C)CCO ZINC001258184612 991091211 /nfs/dbraw/zinc/09/12/11/991091211.db2.gz GUDCRJLQDBZDIH-GFCCVEGCSA-N 2 1 240.347 1.114 20 0 BDADMP CC1(C)CCC[C@H]([N@H+](CC[NH3+])CCO)C1 ZINC001258273031 991198632 /nfs/dbraw/zinc/19/86/32/991198632.db2.gz GJZGKGOMYGKAPD-NSHDSACASA-N 2 1 214.353 1.208 20 0 BDADMP CC1(C)CCC[C@H]([N@@H+](CC[NH3+])CCO)C1 ZINC001258273031 991198637 /nfs/dbraw/zinc/19/86/37/991198637.db2.gz GJZGKGOMYGKAPD-NSHDSACASA-N 2 1 214.353 1.208 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308984299 991252009 /nfs/dbraw/zinc/25/20/09/991252009.db2.gz MMNFMNHPRAGAFL-NJMOYASZSA-N 2 1 208.349 1.715 20 0 BDADMP CO[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001560055493 991368146 /nfs/dbraw/zinc/36/81/46/991368146.db2.gz BVHLQKKKNZAMSU-RFGFWPKPSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001560055493 991368152 /nfs/dbraw/zinc/36/81/52/991368152.db2.gz BVHLQKKKNZAMSU-RFGFWPKPSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001560055493 991368156 /nfs/dbraw/zinc/36/81/56/991368156.db2.gz BVHLQKKKNZAMSU-RFGFWPKPSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H](CC1CC1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258451067 991398886 /nfs/dbraw/zinc/39/88/86/991398886.db2.gz FNJYUIQKFZRIAG-MWLCHTKSSA-N 2 1 223.320 1.106 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)O1 ZINC001560186513 991402019 /nfs/dbraw/zinc/40/20/19/991402019.db2.gz ILOLHMPFQCTRCF-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)O1 ZINC001560186513 991402026 /nfs/dbraw/zinc/40/20/26/991402026.db2.gz ILOLHMPFQCTRCF-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)O1 ZINC001560186513 991402032 /nfs/dbraw/zinc/40/20/32/991402032.db2.gz ILOLHMPFQCTRCF-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP CCOC(=O)CC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001258475547 991450003 /nfs/dbraw/zinc/45/00/03/991450003.db2.gz IRMNQNHWBWSCSS-GFCCVEGCSA-N 2 1 244.379 1.777 20 0 BDADMP CCOC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001258477023 991451417 /nfs/dbraw/zinc/45/14/17/991451417.db2.gz YUSJAOQQWVGRAX-NEPJUHHUSA-N 2 1 242.363 1.260 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258594254 991492397 /nfs/dbraw/zinc/49/23/97/991492397.db2.gz FDAXSLUJCGDENT-GHMZBOCLSA-N 2 1 242.363 1.435 20 0 BDADMP C[N@@H+](CCO)CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC001258599551 991504250 /nfs/dbraw/zinc/50/42/50/991504250.db2.gz DJQMROGHNTYZPH-LBPRGKRZSA-N 2 1 228.380 1.469 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccco3)[C@@H]2C1 ZINC001560622895 991520078 /nfs/dbraw/zinc/52/00/78/991520078.db2.gz ODZRZFULIGGJPZ-UHTWSYAYSA-N 2 1 220.316 1.709 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccco3)[C@@H]2C1 ZINC001560622895 991520092 /nfs/dbraw/zinc/52/00/92/991520092.db2.gz ODZRZFULIGGJPZ-UHTWSYAYSA-N 2 1 220.316 1.709 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001560623082 991522987 /nfs/dbraw/zinc/52/29/87/991522987.db2.gz PUTTVOZIZMVYFN-IACUBPJLSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001560623082 991522994 /nfs/dbraw/zinc/52/29/94/991522994.db2.gz PUTTVOZIZMVYFN-IACUBPJLSA-N 2 1 248.374 1.158 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1cccnc1 ZINC001258615195 991541225 /nfs/dbraw/zinc/54/12/25/991541225.db2.gz FCVAAWNYXHIBAB-NEPJUHHUSA-N 2 1 221.348 1.539 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+](C)CCC[NH+](C)C ZINC001258622249 991549546 /nfs/dbraw/zinc/54/95/46/991549546.db2.gz JVOZBHRMMSKANN-CYBMUJFWSA-N 2 1 235.375 1.896 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)C1 ZINC001560733285 991580554 /nfs/dbraw/zinc/58/05/54/991580554.db2.gz MSGUZYULKAUSMS-IGQOVBAYSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)C1 ZINC001560733285 991580565 /nfs/dbraw/zinc/58/05/65/991580565.db2.gz MSGUZYULKAUSMS-IGQOVBAYSA-N 2 1 238.375 1.221 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2ccncc2O)CC1 ZINC001140278923 991599084 /nfs/dbraw/zinc/59/90/84/991599084.db2.gz YJSXPCFAYGQEAO-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP C[C@]1(F)CC[N@@H+](CCCC[NH3+])C[C@@H]1F ZINC001206743542 991633980 /nfs/dbraw/zinc/63/39/80/991633980.db2.gz ACFHSVQOGBANOW-UWVGGRQHSA-N 2 1 206.280 1.497 20 0 BDADMP C[NH+](C)C1(CNc2cc(N)[nH+]cn2)CCCCC1 ZINC001318330445 991649081 /nfs/dbraw/zinc/64/90/81/991649081.db2.gz DQPRVTVMBOWOTA-UHFFFAOYSA-N 2 1 249.362 1.735 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)[nH]n1 ZINC001318340918 991649232 /nfs/dbraw/zinc/64/92/32/991649232.db2.gz GJSJTMNMPARWQI-SNVBAGLBSA-N 2 1 247.346 1.649 20 0 BDADMP CCn1cncc1CN1CC[C@@H]([N@@H+](C)CC)C1 ZINC001561057560 991711385 /nfs/dbraw/zinc/71/13/85/991711385.db2.gz RWTLGHJLMVHSAR-GFCCVEGCSA-N 2 1 236.363 1.429 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2F)CC1 ZINC001258766788 991724738 /nfs/dbraw/zinc/72/47/38/991724738.db2.gz AILQLYDHSJIQNY-OLZOCXBDSA-N 2 1 244.354 1.577 20 0 BDADMP CCC[NH+]1CCC([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001258776108 991747717 /nfs/dbraw/zinc/74/77/17/991747717.db2.gz UHJPLOBHBABCRA-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258807872 991810564 /nfs/dbraw/zinc/81/05/64/991810564.db2.gz LNFZSBLKRQWGDC-SDDRHHMPSA-N 2 1 242.363 1.435 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC001319189389 991811641 /nfs/dbraw/zinc/81/16/41/991811641.db2.gz FSHVKRIEVBXEJN-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1N ZINC001258907162 991890901 /nfs/dbraw/zinc/89/09/01/991890901.db2.gz OHQREXBALNZZMY-MELADBBJSA-N 2 1 241.423 1.966 20 0 BDADMP COC(=O)CC(C)(C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001261482574 992331404 /nfs/dbraw/zinc/33/14/04/992331404.db2.gz RFAMGYSHBQFOJY-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC001573469012 992617035 /nfs/dbraw/zinc/61/70/35/992617035.db2.gz VUWTTXIVQSZSGR-OTTFEQOBSA-N 2 1 240.391 1.922 20 0 BDADMP O[C@@]1(C[N@H+]2CCC[C@@H](C3CC3)C2)CCC[NH2+]C1 ZINC001574440437 992857890 /nfs/dbraw/zinc/85/78/90/992857890.db2.gz DOXVIHBJNDIUCA-KGLIPLIRSA-N 2 1 238.375 1.223 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC001262486021 992891865 /nfs/dbraw/zinc/89/18/65/992891865.db2.gz LFYOINIHVBUXEI-OFTGVCEQSA-N 2 1 208.349 1.702 20 0 BDADMP C([NH2+][C@H]1CCCOC1)[C@@H]1CCCCC[NH2+]1 ZINC001574799962 992895327 /nfs/dbraw/zinc/89/53/27/992895327.db2.gz GGUOBKGFHSUTQC-RYUDHWBXSA-N 2 1 212.337 1.287 20 0 BDADMP C(C1=NOCC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001574773883 992900810 /nfs/dbraw/zinc/90/08/10/992900810.db2.gz GDLWVSCLZORCRA-RYUDHWBXSA-N 2 1 237.347 1.084 20 0 BDADMP C(C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH2+]C1CC1 ZINC001574775257 992903421 /nfs/dbraw/zinc/90/34/21/992903421.db2.gz YETAACFHWXZEDK-ODXJTPSBSA-N 2 1 236.359 1.142 20 0 BDADMP C(C[NH2+]C1CC1)C[N@@H+]1CCOCC2(CC2)C1 ZINC001574775458 992904712 /nfs/dbraw/zinc/90/47/12/992904712.db2.gz ZRFPYDIMJMDNFW-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CCOCC2(CC2)C1 ZINC001574775458 992904723 /nfs/dbraw/zinc/90/47/23/992904723.db2.gz ZRFPYDIMJMDNFW-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C(C1=NOCC1)[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001574800442 992913695 /nfs/dbraw/zinc/91/36/95/992913695.db2.gz IFTVFDGGJZYXTP-DGCLKSJQSA-N 2 1 237.347 1.227 20 0 BDADMP C(C1=NOCC1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001574800442 992913703 /nfs/dbraw/zinc/91/37/03/992913703.db2.gz IFTVFDGGJZYXTP-DGCLKSJQSA-N 2 1 237.347 1.227 20 0 BDADMP CC(C)[C@H](CO)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C(C)C ZINC001575431027 993041282 /nfs/dbraw/zinc/04/12/82/993041282.db2.gz CBYGAZSVJKRAMB-IHRRRGAJSA-N 2 1 242.407 1.617 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC12CC(C)(C1)OC2 ZINC001575453479 993047533 /nfs/dbraw/zinc/04/75/33/993047533.db2.gz PJSVHFSKZWIMCC-HSBZDZAISA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC001575470833 993049390 /nfs/dbraw/zinc/04/93/90/993049390.db2.gz DRIFULHFHNBIPY-WDEREUQCSA-N 2 1 216.369 1.356 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)CC(C)(C)[NH3+] ZINC001575701010 993097537 /nfs/dbraw/zinc/09/75/37/993097537.db2.gz UPWLLPGMAMAYHK-CYBMUJFWSA-N 2 1 241.423 1.918 20 0 BDADMP CC(C)OC(=O)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001575737821 993101150 /nfs/dbraw/zinc/10/11/50/993101150.db2.gz JWLFZAXVEPBHME-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001575828997 993110926 /nfs/dbraw/zinc/11/09/26/993110926.db2.gz TZCODAIYFUBBSG-GUBZILKMSA-N 2 1 220.307 1.851 20 0 BDADMP C[C@@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Cn1cccn1 ZINC001576033053 993162850 /nfs/dbraw/zinc/16/28/50/993162850.db2.gz LHRVHRRKVMSMHY-VHSXEESVSA-N 2 1 246.305 1.091 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001576116915 993187070 /nfs/dbraw/zinc/18/70/70/993187070.db2.gz BSJUKTMSXBVANK-JQWIXIFHSA-N 2 1 235.331 1.346 20 0 BDADMP CCC[NH+]1CCC(NC2C[NH+](C(C)C)C2)CC1 ZINC000379203281 993229898 /nfs/dbraw/zinc/22/98/98/993229898.db2.gz JBEGHEGPSRAHSC-UHFFFAOYSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001576263135 993239873 /nfs/dbraw/zinc/23/98/73/993239873.db2.gz FVNOENRFSIUPOI-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP CC1(C)CC[C@H](C[NH2+][C@H]2CCCOC2)[NH2+]C1 ZINC001576421190 993300704 /nfs/dbraw/zinc/30/07/04/993300704.db2.gz IZEWDRZSAQANRG-NEPJUHHUSA-N 2 1 226.364 1.533 20 0 BDADMP CC1(C)CC[C@H](C[NH2+]CC[C@@H]2CCOC2)[NH2+]C1 ZINC001576421951 993300850 /nfs/dbraw/zinc/30/08/50/993300850.db2.gz SNLLOHOYILQDMN-CHWSQXEVSA-N 2 1 240.391 1.781 20 0 BDADMP C[NH+]1CCC([NH2+]C2CCC(F)CC2)CC1 ZINC000380292978 993324833 /nfs/dbraw/zinc/32/48/33/993324833.db2.gz BYEGNHRVBYJKCC-UHFFFAOYSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CCCCO1 ZINC001576504002 993326494 /nfs/dbraw/zinc/32/64/94/993326494.db2.gz ZZOAXTNDJDBGLQ-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C[NH2+]CCO1 ZINC001576519104 993331549 /nfs/dbraw/zinc/33/15/49/993331549.db2.gz KGCTYOISQWSAGO-WUHRBBMRSA-N 2 1 224.348 1.143 20 0 BDADMP C[C@@H]1C(=O)CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001576564619 993345473 /nfs/dbraw/zinc/34/54/73/993345473.db2.gz QUSVPNXNZXSWQM-MNOVXSKESA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1C(=O)CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001576564619 993345477 /nfs/dbraw/zinc/34/54/77/993345477.db2.gz QUSVPNXNZXSWQM-MNOVXSKESA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001576571908 993347504 /nfs/dbraw/zinc/34/75/04/993347504.db2.gz HDMIDCMIDHVLJW-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH2+][C@@H]3C[C@@H]32)C1 ZINC001576590804 993360271 /nfs/dbraw/zinc/36/02/71/993360271.db2.gz CTKNJIOFPAZZHV-RQJABVFESA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001576596853 993362205 /nfs/dbraw/zinc/36/22/05/993362205.db2.gz AVIRILROUCREFQ-MROQNXINSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCO1 ZINC001576598204 993362763 /nfs/dbraw/zinc/36/27/63/993362763.db2.gz MQTIPJUNQRBBRM-FQUUOJAGSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001576623983 993373437 /nfs/dbraw/zinc/37/34/37/993373437.db2.gz NPUHFCDOYVARFE-XQHKEYJVSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCN1C ZINC001576623983 993373443 /nfs/dbraw/zinc/37/34/43/993373443.db2.gz NPUHFCDOYVARFE-XQHKEYJVSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]1CC[C@@](CO)([N@@H+](C)CCCCCC[NH3+])C1 ZINC001576652795 993385263 /nfs/dbraw/zinc/38/52/63/993385263.db2.gz YUKFBHWIVMAPMJ-UONOGXRCSA-N 2 1 242.407 1.988 20 0 BDADMP COC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C1CC1 ZINC000381312218 993385515 /nfs/dbraw/zinc/38/55/15/993385515.db2.gz LVVLQZIAFGXVNQ-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC3(C2)OCCO3)C[NH2+]1 ZINC001576667929 993386173 /nfs/dbraw/zinc/38/61/73/993386173.db2.gz WOONGNWCFHOPCC-WOPDTQHZSA-N 2 1 240.347 1.012 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@@H](N[C@H]2CC[N@H+](C)C2)C1 ZINC000381374409 993388349 /nfs/dbraw/zinc/38/83/49/993388349.db2.gz JGTCPUHYPITNCE-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@@H](N[C@H]2CC[N@@H+](C)C2)C1 ZINC000381374409 993388351 /nfs/dbraw/zinc/38/83/51/993388351.db2.gz JGTCPUHYPITNCE-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C[C@@H]1C[NH3+] ZINC001576731689 993407757 /nfs/dbraw/zinc/40/77/57/993407757.db2.gz MVSLRVJEHNTKJU-WOPDTQHZSA-N 2 1 242.363 1.055 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729689 993409396 /nfs/dbraw/zinc/40/93/96/993409396.db2.gz WCTPPPJWXGEMAD-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1COC(C)(C)O1 ZINC001576749618 993414753 /nfs/dbraw/zinc/41/47/53/993414753.db2.gz SPOMAIZXFOWODM-WISYIIOYSA-N 2 1 242.363 1.114 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@]1(C)CO ZINC001576807431 993427959 /nfs/dbraw/zinc/42/79/59/993427959.db2.gz PWPAVUUGMNMRNC-XQHKEYJVSA-N 2 1 226.364 1.064 20 0 BDADMP C[C@@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382028570 993436751 /nfs/dbraw/zinc/43/67/51/993436751.db2.gz CCTUAMCFVLGZFV-DZGCQCFKSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000382028570 993436759 /nfs/dbraw/zinc/43/67/59/993436759.db2.gz CCTUAMCFVLGZFV-DZGCQCFKSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576903408 993450646 /nfs/dbraw/zinc/45/06/46/993450646.db2.gz JJHNBINOGXHGGE-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@](C)(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC001576949875 993465043 /nfs/dbraw/zinc/46/50/43/993465043.db2.gz TYDFGKYDAUQOOJ-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)OC ZINC001576960944 993470419 /nfs/dbraw/zinc/47/04/19/993470419.db2.gz IUZQMTYZZHZTEW-RWMBFGLXSA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001576965741 993473336 /nfs/dbraw/zinc/47/33/36/993473336.db2.gz DHJZDVGTYQFIMB-KKOKHZNYSA-N 2 1 242.363 1.101 20 0 BDADMP CCC(CC)(C[NH3+])[NH2+]Cc1cc[nH]c(=O)c1 ZINC001577058727 993491430 /nfs/dbraw/zinc/49/14/30/993491430.db2.gz FRBPTPVMXBECED-UHFFFAOYSA-N 2 1 223.320 1.394 20 0 BDADMP CCC(CC)CCC[N@@H+](C)C[C@](C)(O)C[NH3+] ZINC001577069839 993492373 /nfs/dbraw/zinc/49/23/73/993492373.db2.gz VUWVMXUKYLXBPJ-CYBMUJFWSA-N 2 1 230.396 1.844 20 0 BDADMP CC[C@H](CO)[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001577090099 993498758 /nfs/dbraw/zinc/49/87/58/993498758.db2.gz PKQVVAFVISCWLI-XQQFMLRXSA-N 2 1 226.364 1.208 20 0 BDADMP CCC(O)(CC)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001577179115 993532729 /nfs/dbraw/zinc/53/27/29/993532729.db2.gz DEHRYEZKYKBCLS-NEPJUHHUSA-N 2 1 228.380 1.325 20 0 BDADMP Cc1nccn1CC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000384148971 993550292 /nfs/dbraw/zinc/55/02/92/993550292.db2.gz PJJXIMZAZKEMAU-ZDUSSCGKSA-N 2 1 236.363 1.265 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000384148971 993550304 /nfs/dbraw/zinc/55/03/04/993550304.db2.gz PJJXIMZAZKEMAU-ZDUSSCGKSA-N 3 1 236.363 1.265 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000384148971 993550316 /nfs/dbraw/zinc/55/03/16/993550316.db2.gz PJJXIMZAZKEMAU-ZDUSSCGKSA-N 3 1 236.363 1.265 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CO1 ZINC001577240428 993555938 /nfs/dbraw/zinc/55/59/38/993555938.db2.gz GUZRAXWLQGCBOL-WISYIIOYSA-N 2 1 212.337 1.284 20 0 BDADMP CCC[C@H](C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)OC ZINC001577357669 993618038 /nfs/dbraw/zinc/61/80/38/993618038.db2.gz DWXPALQVYORITG-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001577444873 993664646 /nfs/dbraw/zinc/66/46/46/993664646.db2.gz HKDIGEMHYABWTE-IJLUTSLNSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC001577510252 993675031 /nfs/dbraw/zinc/67/50/31/993675031.db2.gz HKULHHNMDDQFAJ-TUAOUCFPSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC001577510200 993676534 /nfs/dbraw/zinc/67/65/34/993676534.db2.gz FEBYHMZTSOSGAK-RYUDHWBXSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001577510510 993677076 /nfs/dbraw/zinc/67/70/76/993677076.db2.gz QHGJQGFXTNTCLA-HZSPNIEDSA-N 2 1 241.423 1.837 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC23CCOCC3)CC1 ZINC000386882582 993694939 /nfs/dbraw/zinc/69/49/39/993694939.db2.gz IQASGZYEYRDHEP-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](C)O ZINC000386751862 993695814 /nfs/dbraw/zinc/69/58/14/993695814.db2.gz GSNFNXGFECUSOZ-RNJOBUHISA-N 2 1 226.364 1.362 20 0 BDADMP CCN(C(=O)C[NH2+]C1CC([NH3+])C1)c1ccccc1 ZINC001577633768 993705907 /nfs/dbraw/zinc/70/59/07/993705907.db2.gz JIRXBHWYAUOOKG-UHFFFAOYSA-N 2 1 247.342 1.119 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000389311241 993743326 /nfs/dbraw/zinc/74/33/26/993743326.db2.gz BWQIALWSKYWTGF-VWYCJHECSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000389311241 993743336 /nfs/dbraw/zinc/74/33/36/993743336.db2.gz BWQIALWSKYWTGF-VWYCJHECSA-N 2 1 214.353 1.063 20 0 BDADMP c1ccc(COCCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000390077788 993774629 /nfs/dbraw/zinc/77/46/29/993774629.db2.gz YADVMACUZWLALL-HNNXBMFYSA-N 2 1 248.370 1.935 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392644117 993874934 /nfs/dbraw/zinc/87/49/34/993874934.db2.gz QOGRRNWLZIGERM-LBPRGKRZSA-N 2 1 235.331 1.361 20 0 BDADMP CCCO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000701718151 993906268 /nfs/dbraw/zinc/90/62/68/993906268.db2.gz DYYSIUSOYBTXDH-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC[NH+]2CCCC2)C1 ZINC000393264405 993922905 /nfs/dbraw/zinc/92/29/05/993922905.db2.gz MJWUULFHIOAWEK-ZDUSSCGKSA-N 2 1 225.380 1.156 20 0 BDADMP OC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000393520189 993958267 /nfs/dbraw/zinc/95/82/67/993958267.db2.gz NXMPYXCLVFBYBC-ZDUSSCGKSA-N 2 1 226.364 1.080 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000393884615 994017529 /nfs/dbraw/zinc/01/75/29/994017529.db2.gz QGAWUSCKNKJIQU-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](C)[C@@H](C)CNC(=O)CCCC[NH+](C)C ZINC001282477035 994235887 /nfs/dbraw/zinc/23/58/87/994235887.db2.gz FEFQOJDSYNVUSH-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001332816930 994367417 /nfs/dbraw/zinc/36/74/17/994367417.db2.gz ZOWWKRHDPZUFFI-STQMWFEESA-N 2 1 233.359 1.807 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCSCC1 ZINC000822127103 994418084 /nfs/dbraw/zinc/41/80/84/994418084.db2.gz FNZFLOYBDRCBFC-LBPRGKRZSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+][C@@H](C)CCNCc1ccc(C[NH3+])cc1 ZINC001334775108 994633722 /nfs/dbraw/zinc/63/37/22/994633722.db2.gz RLYHAMCRIZYMJQ-NSHDSACASA-N 2 1 221.348 1.233 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001336732426 995088649 /nfs/dbraw/zinc/08/86/49/995088649.db2.gz QDHLYWJNGHIKOL-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040232 995528871 /nfs/dbraw/zinc/52/88/71/995528871.db2.gz KLOLVBQWNACVRO-XQQFMLRXSA-N 2 1 249.358 1.361 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1F ZINC000050559350 178004065 /nfs/dbraw/zinc/00/40/65/178004065.db2.gz UCLMXWDMFRCJBB-GFCCVEGCSA-N 2 1 222.307 1.915 20 0 BDADMP Cc1ccc(CCC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000339407084 398156553 /nfs/dbraw/zinc/15/65/53/398156553.db2.gz KWWDFFBUYCNOTN-HIFRSBDPSA-N 2 1 247.386 1.992 20 0 BDADMP C[N@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746525 398168710 /nfs/dbraw/zinc/16/87/10/398168710.db2.gz MHGDKGRKOPHYHI-ONXXMXGDSA-N 2 1 231.343 1.796 20 0 BDADMP C[N@@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746525 398168713 /nfs/dbraw/zinc/16/87/13/398168713.db2.gz MHGDKGRKOPHYHI-ONXXMXGDSA-N 2 1 231.343 1.796 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000336233839 178032906 /nfs/dbraw/zinc/03/29/06/178032906.db2.gz QAEHDWMTWQCKGU-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000336233839 178032907 /nfs/dbraw/zinc/03/29/07/178032907.db2.gz QAEHDWMTWQCKGU-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000042466610 398172992 /nfs/dbraw/zinc/17/29/92/398172992.db2.gz FYAUPBBJHNIWSV-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000336233893 178040318 /nfs/dbraw/zinc/04/03/18/178040318.db2.gz YGWXYWNGTLCZFV-FZMZJTMJSA-N 2 1 233.359 1.820 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000162152924 538920984 /nfs/dbraw/zinc/92/09/84/538920984.db2.gz VUFSYBMGWXZILN-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000162152924 538920985 /nfs/dbraw/zinc/92/09/85/538920985.db2.gz VUFSYBMGWXZILN-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000162152924 538920987 /nfs/dbraw/zinc/92/09/87/538920987.db2.gz VUFSYBMGWXZILN-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1cc(N(C)CC[NH+]2CCOCC2)cc[nH+]1 ZINC000185991694 178099571 /nfs/dbraw/zinc/09/95/71/178099571.db2.gz MMBZKDSAUIJGKH-UHFFFAOYSA-N 2 1 235.331 1.158 20 0 BDADMP Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)nc(C)[nH+]1 ZINC000302541971 178101905 /nfs/dbraw/zinc/10/19/05/178101905.db2.gz OCGGGGAVIPUAHA-GWCFXTLKSA-N 2 1 248.374 1.870 20 0 BDADMP Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)nc(C)[nH+]1 ZINC000302541971 178101906 /nfs/dbraw/zinc/10/19/06/178101906.db2.gz OCGGGGAVIPUAHA-GWCFXTLKSA-N 2 1 248.374 1.870 20 0 BDADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430920061 192027568 /nfs/dbraw/zinc/02/75/68/192027568.db2.gz NJGRDNBBAZIJNZ-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC000386764900 398219809 /nfs/dbraw/zinc/21/98/09/398219809.db2.gz JEUCATLMYPWVIC-ZDUSSCGKSA-N 2 1 236.363 1.041 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cnccn1 ZINC000649412006 398214420 /nfs/dbraw/zinc/21/44/20/398214420.db2.gz BZNSGCXFILIWMF-UHFFFAOYSA-N 2 1 248.374 1.688 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000649413776 398212288 /nfs/dbraw/zinc/21/22/88/398212288.db2.gz CNNHBELQXNEWFO-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)nc(C)[nH+]1 ZINC000132346467 178168388 /nfs/dbraw/zinc/16/83/88/178168388.db2.gz VBJMBXIAHIOPEZ-JTQLQIEISA-N 2 1 234.347 1.988 20 0 BDADMP Cc1cc(NC[C@H](C)[N@@H+](C)C2CC2)nc(C)[nH+]1 ZINC000132346467 178168389 /nfs/dbraw/zinc/16/83/89/178168389.db2.gz VBJMBXIAHIOPEZ-JTQLQIEISA-N 2 1 234.347 1.988 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000386834592 398220964 /nfs/dbraw/zinc/22/09/64/398220964.db2.gz WOUCKRLHLWSFTN-DGCLKSJQSA-N 2 1 236.363 1.169 20 0 BDADMP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000430762610 398230396 /nfs/dbraw/zinc/23/03/96/398230396.db2.gz OPKPKMPFNRUYFU-TUAOUCFPSA-N 2 1 241.379 1.103 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](C)CC1)C2 ZINC000037266992 361801018 /nfs/dbraw/zinc/80/10/18/361801018.db2.gz AHECJUAQIHJTQC-AGUYFDCRSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000037266992 361801024 /nfs/dbraw/zinc/80/10/24/361801024.db2.gz AHECJUAQIHJTQC-AGUYFDCRSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000037266992 361801027 /nfs/dbraw/zinc/80/10/27/361801027.db2.gz AHECJUAQIHJTQC-AGUYFDCRSA-N 2 1 237.391 1.295 20 0 BDADMP CCN1CCC[C@@H]1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000092629321 398235730 /nfs/dbraw/zinc/23/57/30/398235730.db2.gz CXJNDUCQRLKIKA-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1CN(C)CC1CC[NH2+]CC1 ZINC000092629321 398235733 /nfs/dbraw/zinc/23/57/33/398235733.db2.gz CXJNDUCQRLKIKA-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)CC1CC[NH2+]CC1 ZINC000092629321 398235736 /nfs/dbraw/zinc/23/57/36/398235736.db2.gz CXJNDUCQRLKIKA-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)nn1C ZINC000282480888 178247367 /nfs/dbraw/zinc/24/73/67/178247367.db2.gz HCDFOGMIWVLNDY-LBPRGKRZSA-N 2 1 248.374 1.641 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)nn1C ZINC000282480888 178247369 /nfs/dbraw/zinc/24/73/69/178247369.db2.gz HCDFOGMIWVLNDY-LBPRGKRZSA-N 2 1 248.374 1.641 20 0 BDADMP c1cn(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000161989770 349528127 /nfs/dbraw/zinc/52/81/27/349528127.db2.gz QEINNCUEJPYFNF-CQSZACIVSA-N 3 1 248.374 1.301 20 0 BDADMP CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)COC1 ZINC000343634797 365613313 /nfs/dbraw/zinc/61/33/13/365613313.db2.gz VEGNQODASSVAHV-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000286036759 538943425 /nfs/dbraw/zinc/94/34/25/538943425.db2.gz KKDSYFBPNWUOKS-MNOVXSKESA-N 2 1 247.346 1.902 20 0 BDADMP CC[C@@H](C)[C@H](C[NH2+]CCn1cc[nH+]c1C)OC ZINC000381325539 398251855 /nfs/dbraw/zinc/25/18/55/398251855.db2.gz XOQQLZQXCXROAH-YPMHNXCESA-N 2 1 239.363 1.842 20 0 BDADMP CC[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000576636134 365644490 /nfs/dbraw/zinc/64/44/90/365644490.db2.gz PMOMFCLLIDIDFC-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H]1CCCOCC1 ZINC000336781801 398256009 /nfs/dbraw/zinc/25/60/09/398256009.db2.gz VRVWPWRHZFYBQE-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647186588 398269510 /nfs/dbraw/zinc/26/95/10/398269510.db2.gz PWWZRYABJKVMMJ-WCQYABFASA-N 2 1 237.347 1.739 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166566363 361853726 /nfs/dbraw/zinc/85/37/26/361853726.db2.gz JOYACOLPGACSIP-VXGBXAGGSA-N 2 1 216.369 1.730 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1F ZINC000583928841 342727839 /nfs/dbraw/zinc/72/78/39/342727839.db2.gz SPXUWDHIULKAOT-PWSUYJOCSA-N 2 1 237.322 1.828 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000583937443 342728651 /nfs/dbraw/zinc/72/86/51/342728651.db2.gz NCVIGRJXTAOGCY-SDDRHHMPSA-N 2 1 241.379 1.103 20 0 BDADMP CCSCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309618296 342753278 /nfs/dbraw/zinc/75/32/78/342753278.db2.gz FYXQBSMZAVUNSD-LBPRGKRZSA-N 2 1 228.405 1.815 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000335613716 136237464 /nfs/dbraw/zinc/23/74/64/136237464.db2.gz VUTVNJSYMWDRAF-NEPJUHHUSA-N 2 1 222.336 1.468 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC12CCCC2)C1CC1 ZINC000649485691 398283218 /nfs/dbraw/zinc/28/32/18/398283218.db2.gz UFMKRLFHDDXFIR-CYBMUJFWSA-N 2 1 238.375 1.460 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC12CCCC2)C1CC1 ZINC000649485691 398283220 /nfs/dbraw/zinc/28/32/20/398283220.db2.gz UFMKRLFHDDXFIR-CYBMUJFWSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC12CCCC2)C1CC1 ZINC000649485691 398283221 /nfs/dbraw/zinc/28/32/21/398283221.db2.gz UFMKRLFHDDXFIR-CYBMUJFWSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC12CCCC2)C1CC1 ZINC000649485691 398283224 /nfs/dbraw/zinc/28/32/24/398283224.db2.gz UFMKRLFHDDXFIR-CYBMUJFWSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000232128608 342788172 /nfs/dbraw/zinc/78/81/72/342788172.db2.gz NUOPAWZFXQTITF-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP c1csc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031993289 342795992 /nfs/dbraw/zinc/79/59/92/342795992.db2.gz ICPUKNLFHLGDPL-GFCCVEGCSA-N 2 1 222.357 1.934 20 0 BDADMP CC[C@H](COC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400406864 529399338 /nfs/dbraw/zinc/39/93/38/529399338.db2.gz RRWUDSRBGGOMOB-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480148 136246249 /nfs/dbraw/zinc/24/62/49/136246249.db2.gz TYYMNTOQNCTYDE-RWMBFGLXSA-N 2 1 226.364 1.471 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381266254 398326001 /nfs/dbraw/zinc/32/60/01/398326001.db2.gz UETXPGHJHXPRMT-DGCLKSJQSA-N 2 1 228.380 1.610 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381266254 398326003 /nfs/dbraw/zinc/32/60/03/398326003.db2.gz UETXPGHJHXPRMT-DGCLKSJQSA-N 2 1 228.380 1.610 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC000308454801 346874039 /nfs/dbraw/zinc/87/40/39/346874039.db2.gz DMEYSCGJFMEGSJ-NSHDSACASA-N 2 1 202.317 1.797 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCOC1 ZINC000119658342 398327952 /nfs/dbraw/zinc/32/79/52/398327952.db2.gz BDNVCJQHOBEWSC-NWDGAFQWSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@]1(O)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000495259538 529442194 /nfs/dbraw/zinc/44/21/94/529442194.db2.gz APGXOXLCYNSNJG-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(O)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000495259538 529442195 /nfs/dbraw/zinc/44/21/95/529442195.db2.gz APGXOXLCYNSNJG-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(O)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000495259538 529442198 /nfs/dbraw/zinc/44/21/98/529442198.db2.gz APGXOXLCYNSNJG-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000179 398335635 /nfs/dbraw/zinc/33/56/35/398335635.db2.gz YYIFFNWWCIKGGI-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313350924 259333813 /nfs/dbraw/zinc/33/38/13/259333813.db2.gz LBYMDSPWBHLWAF-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351853559 136257990 /nfs/dbraw/zinc/25/79/90/136257990.db2.gz PBDDZJGHUDDIKJ-MWLCHTKSSA-N 2 1 237.347 1.715 20 0 BDADMP C[C@@H](F)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000351850986 136257511 /nfs/dbraw/zinc/25/75/11/136257511.db2.gz IIWPAOLFLJZYSP-SNVBAGLBSA-N 2 1 202.317 1.761 20 0 BDADMP CCCC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000309223007 259342175 /nfs/dbraw/zinc/34/21/75/259342175.db2.gz HCBIHIUSADJJRE-OLZOCXBDSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000309223007 259342176 /nfs/dbraw/zinc/34/21/76/259342176.db2.gz HCBIHIUSADJJRE-OLZOCXBDSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000309223007 259342178 /nfs/dbraw/zinc/34/21/78/259342178.db2.gz HCBIHIUSADJJRE-OLZOCXBDSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000309223007 259342180 /nfs/dbraw/zinc/34/21/80/259342180.db2.gz HCBIHIUSADJJRE-OLZOCXBDSA-N 2 1 230.396 1.810 20 0 BDADMP C([C@H]1CCCO1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000120670015 187221871 /nfs/dbraw/zinc/22/18/71/187221871.db2.gz ZUNCLPJQRPTIQO-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CCCC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000309223009 259342501 /nfs/dbraw/zinc/34/25/01/259342501.db2.gz HCBIHIUSADJJRE-QWHCGFSZSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000309223009 259342502 /nfs/dbraw/zinc/34/25/02/259342502.db2.gz HCBIHIUSADJJRE-QWHCGFSZSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000309223009 259342504 /nfs/dbraw/zinc/34/25/04/259342504.db2.gz HCBIHIUSADJJRE-QWHCGFSZSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000309223009 259342506 /nfs/dbraw/zinc/34/25/06/259342506.db2.gz HCBIHIUSADJJRE-QWHCGFSZSA-N 2 1 230.396 1.810 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCC[NH3+] ZINC000122925974 187226498 /nfs/dbraw/zinc/22/64/98/187226498.db2.gz XATOUXIMCOFGFF-LLVKDONJSA-N 2 1 222.332 1.604 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000562902484 323033122 /nfs/dbraw/zinc/03/31/22/323033122.db2.gz WOCNBMONAHYRIH-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000562902484 323033123 /nfs/dbraw/zinc/03/31/23/323033123.db2.gz WOCNBMONAHYRIH-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000562902484 323033124 /nfs/dbraw/zinc/03/31/24/323033124.db2.gz WOCNBMONAHYRIH-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000562902483 323033154 /nfs/dbraw/zinc/03/31/54/323033154.db2.gz WOCNBMONAHYRIH-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000562902483 323033155 /nfs/dbraw/zinc/03/31/55/323033155.db2.gz WOCNBMONAHYRIH-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000562902483 323033156 /nfs/dbraw/zinc/03/31/56/323033156.db2.gz WOCNBMONAHYRIH-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCCO1 ZINC000042821775 362026986 /nfs/dbraw/zinc/02/69/86/362026986.db2.gz PKPAUSDVZPNXOB-UTUOFQBUSA-N 2 1 212.337 1.367 20 0 BDADMP COC[C@@H](C)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000120559119 343126853 /nfs/dbraw/zinc/12/68/53/343126853.db2.gz QBLMICHITYYFBT-LBPRGKRZSA-N 2 1 239.363 1.796 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000120559119 343126854 /nfs/dbraw/zinc/12/68/54/343126854.db2.gz QBLMICHITYYFBT-LBPRGKRZSA-N 2 1 239.363 1.796 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130586144 343181530 /nfs/dbraw/zinc/18/15/30/343181530.db2.gz BPFRPQXEPYUVJX-XQHKEYJVSA-N 2 1 246.358 1.597 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133507500 343191387 /nfs/dbraw/zinc/19/13/87/343191387.db2.gz WZCJJXFMTSUZLY-QWRGUYRKSA-N 2 1 200.326 1.223 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000035112655 343284835 /nfs/dbraw/zinc/28/48/35/343284835.db2.gz DGIZFRREMPSBEF-CQSZACIVSA-N 2 1 234.343 1.404 20 0 BDADMP CC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000569837695 323042184 /nfs/dbraw/zinc/04/21/84/323042184.db2.gz UFEXGGTVMBMSQI-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000335636114 136300501 /nfs/dbraw/zinc/30/05/01/136300501.db2.gz DFMFNMINTOGLIK-MFKMUULPSA-N 2 1 219.332 1.620 20 0 BDADMP c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000335636020 136300859 /nfs/dbraw/zinc/30/08/59/136300859.db2.gz SYTYKEJGYILEHP-UONOGXRCSA-N 2 1 245.370 1.903 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCc1ccccc1 ZINC000569855154 323042802 /nfs/dbraw/zinc/04/28/02/323042802.db2.gz PBCZYIOFCCGXEL-CQSZACIVSA-N 2 1 236.359 1.131 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)nc1 ZINC000335641614 136308560 /nfs/dbraw/zinc/30/85/60/136308560.db2.gz URDMUCJGSNOPCF-NEPJUHHUSA-N 2 1 219.332 1.620 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252709666 536878464 /nfs/dbraw/zinc/87/84/64/536878464.db2.gz DLZNKUWRCQXJRF-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252709666 536878468 /nfs/dbraw/zinc/87/84/68/536878468.db2.gz DLZNKUWRCQXJRF-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000349151975 136326712 /nfs/dbraw/zinc/32/67/12/136326712.db2.gz PFSNJLNSKSNCHW-WOPDTQHZSA-N 2 1 219.332 1.865 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000380159846 343420334 /nfs/dbraw/zinc/42/03/34/343420334.db2.gz AKUPBCSDUTXZPN-FIQHERPVSA-N 2 1 212.337 1.094 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000166320151 136344508 /nfs/dbraw/zinc/34/45/08/136344508.db2.gz HDMZDYKCWPQSPH-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H]1C[C@H]1C[N@@H+](C)CCCn1ccnc1 ZINC000349423418 136345581 /nfs/dbraw/zinc/34/55/81/136345581.db2.gz XGCBTJUGGUPFEY-RYUDHWBXSA-N 2 1 207.321 1.861 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H](C)O ZINC000570037562 323047864 /nfs/dbraw/zinc/04/78/64/323047864.db2.gz BBUFRXKTLCHGMQ-MNOVXSKESA-N 2 1 225.336 1.331 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000082545996 343447954 /nfs/dbraw/zinc/44/79/54/343447954.db2.gz WXPMJPRKELCERN-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](O)CC1 ZINC000335888781 136358322 /nfs/dbraw/zinc/35/83/22/136358322.db2.gz XVRYKUDFYAFNHO-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](O)CC1 ZINC000335888781 136358323 /nfs/dbraw/zinc/35/83/23/136358323.db2.gz XVRYKUDFYAFNHO-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](O)CC1 ZINC000335888781 136358324 /nfs/dbraw/zinc/35/83/24/136358324.db2.gz XVRYKUDFYAFNHO-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000130217348 136372688 /nfs/dbraw/zinc/37/26/88/136372688.db2.gz UPULBHXGRKMVNR-MCIONIFRSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1ccc(C)c(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000258991110 136374235 /nfs/dbraw/zinc/37/42/35/136374235.db2.gz MNXYNXMIZFNWCW-CYBMUJFWSA-N 2 1 222.332 1.055 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1ccc(C)o1 ZINC000310535712 343527675 /nfs/dbraw/zinc/52/76/75/343527675.db2.gz PGBNKNDFJYJYSE-GFCCVEGCSA-N 2 1 240.347 1.332 20 0 BDADMP C[N@@H+](CCO)Cc1ccc(-n2ccnc2)cc1 ZINC000049634012 343604828 /nfs/dbraw/zinc/60/48/28/343604828.db2.gz FVAQRXVIGMNKHC-UHFFFAOYSA-N 2 1 231.299 1.296 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000309064536 349829785 /nfs/dbraw/zinc/82/97/85/349829785.db2.gz YOJJJLQBFCOQFU-GHMZBOCLSA-N 2 1 212.337 1.238 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000309064536 349829786 /nfs/dbraw/zinc/82/97/86/349829786.db2.gz YOJJJLQBFCOQFU-GHMZBOCLSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@@H](C[NH2+]CC1=CCCOC1)[NH+]1CCCC1 ZINC000126431301 343703880 /nfs/dbraw/zinc/70/38/80/343703880.db2.gz VXZJFPFUYVTITM-AWEZNQCLSA-N 2 1 238.375 1.797 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000309032645 346956220 /nfs/dbraw/zinc/95/62/20/346956220.db2.gz FUYUXXYBFRUKMH-NEPJUHHUSA-N 2 1 228.405 1.954 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000584182717 343770796 /nfs/dbraw/zinc/77/07/96/343770796.db2.gz IZLCBYCJDRHDRR-STQMWFEESA-N 2 1 239.407 1.720 20 0 BDADMP CC1(C)CCCN1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584182717 343770797 /nfs/dbraw/zinc/77/07/97/343770797.db2.gz IZLCBYCJDRHDRR-STQMWFEESA-N 2 1 239.407 1.720 20 0 BDADMP C1C[C@@]2(C[N@H+]1C1CC[NH2+]CC1)CCCCO2 ZINC000409431417 343823342 /nfs/dbraw/zinc/82/33/42/343823342.db2.gz SFSZXKRFQNOACU-CYBMUJFWSA-N 2 1 224.348 1.383 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000299044103 187353469 /nfs/dbraw/zinc/35/34/69/187353469.db2.gz PPHBQOUACRDGDO-UHFFFAOYSA-N 2 1 233.319 1.403 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(C3CC3)CC2)CC1 ZINC000090772903 343939429 /nfs/dbraw/zinc/93/94/29/343939429.db2.gz UOFYFEXNOVGHAJ-UHFFFAOYSA-N 2 1 208.349 1.860 20 0 BDADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000090535646 343935141 /nfs/dbraw/zinc/93/51/41/343935141.db2.gz VIOAAUAVDCSPGD-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000570737121 323068936 /nfs/dbraw/zinc/06/89/36/323068936.db2.gz RFJULMHJLOHSNZ-SMDDNHRTSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]([C@@H](C)C1CC1)C1CC1 ZINC000570737121 323068937 /nfs/dbraw/zinc/06/89/37/323068937.db2.gz RFJULMHJLOHSNZ-SMDDNHRTSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]([C@@H](C)C1CC1)C1CC1 ZINC000570737121 323068938 /nfs/dbraw/zinc/06/89/38/323068938.db2.gz RFJULMHJLOHSNZ-SMDDNHRTSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000570737121 323068939 /nfs/dbraw/zinc/06/89/39/323068939.db2.gz RFJULMHJLOHSNZ-SMDDNHRTSA-N 2 1 240.391 1.562 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000394264190 344211164 /nfs/dbraw/zinc/21/11/64/344211164.db2.gz OVNIVMNTEIJIKE-NSHDSACASA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000394264190 344211165 /nfs/dbraw/zinc/21/11/65/344211165.db2.gz OVNIVMNTEIJIKE-NSHDSACASA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C(C)(C)C)C1CC1 ZINC000394264190 344211167 /nfs/dbraw/zinc/21/11/67/344211167.db2.gz OVNIVMNTEIJIKE-NSHDSACASA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C(C)(C)C)C1CC1 ZINC000394264190 344211168 /nfs/dbraw/zinc/21/11/68/344211168.db2.gz OVNIVMNTEIJIKE-NSHDSACASA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000570737121 323068940 /nfs/dbraw/zinc/06/89/40/323068940.db2.gz RFJULMHJLOHSNZ-SMDDNHRTSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086401971 344216987 /nfs/dbraw/zinc/21/69/87/344216987.db2.gz KVQMFPHRLKEOEL-QWHCGFSZSA-N 3 1 227.396 1.578 20 0 BDADMP CC1(C)C[C@H]([NH2+]Cc2c[nH]cn2)C(C)(C)O1 ZINC000086927530 344225837 /nfs/dbraw/zinc/22/58/37/344225837.db2.gz BSHLHAILHADTCC-JTQLQIEISA-N 2 1 223.320 1.845 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000131058607 344226889 /nfs/dbraw/zinc/22/68/89/344226889.db2.gz BKFICJFTAITANF-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000215652914 349905894 /nfs/dbraw/zinc/90/58/94/349905894.db2.gz OXQRXLJMQJTJMO-GXFFZTMASA-N 2 1 222.307 1.881 20 0 BDADMP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000236648057 187289881 /nfs/dbraw/zinc/28/98/81/187289881.db2.gz OEAUQWQCVKNWER-NEPJUHHUSA-N 2 1 241.379 1.055 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCOC1 ZINC000133302733 344316887 /nfs/dbraw/zinc/31/68/87/344316887.db2.gz FELMBQAYNXJPKN-RYUDHWBXSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133507054 344319699 /nfs/dbraw/zinc/31/96/99/344319699.db2.gz WZCJJXFMTSUZLY-WDEREUQCSA-N 2 1 200.326 1.223 20 0 BDADMP COC(=O)CCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000600710539 344360854 /nfs/dbraw/zinc/36/08/54/344360854.db2.gz OKBXSMDQZAQZSK-WCQYABFASA-N 2 1 240.347 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000600710539 344360857 /nfs/dbraw/zinc/36/08/57/344360857.db2.gz OKBXSMDQZAQZSK-WCQYABFASA-N 2 1 240.347 1.143 20 0 BDADMP C[C@H]1C[C@@H](N)C[N@H+]1CCCOCC(F)(F)F ZINC000385204548 344376437 /nfs/dbraw/zinc/37/64/37/344376437.db2.gz SYFKOEDAUPFZOF-DTWKUNHWSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCOCC(F)(F)F ZINC000385204548 344376440 /nfs/dbraw/zinc/37/64/40/344376440.db2.gz SYFKOEDAUPFZOF-DTWKUNHWSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCOCC(F)(F)F ZINC000385204548 344376443 /nfs/dbraw/zinc/37/64/43/344376443.db2.gz SYFKOEDAUPFZOF-DTWKUNHWSA-N 2 1 240.269 1.377 20 0 BDADMP Cc1nc(NCCC[NH2+]C2CC2)c(C)c(C)[nH+]1 ZINC000634810719 344395487 /nfs/dbraw/zinc/39/54/87/344395487.db2.gz GOAOGTFKRWTEMG-UHFFFAOYSA-N 2 1 234.347 1.378 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCSCC1 ZINC000042444872 187291331 /nfs/dbraw/zinc/29/13/31/187291331.db2.gz GQUVTCJTZJTTSM-NSHDSACASA-N 2 1 216.394 1.799 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCSCC1 ZINC000042444872 187291333 /nfs/dbraw/zinc/29/13/33/187291333.db2.gz GQUVTCJTZJTTSM-NSHDSACASA-N 2 1 216.394 1.799 20 0 BDADMP C[C@H]1C[C@H](NC[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000624100977 344538233 /nfs/dbraw/zinc/53/82/33/344538233.db2.gz AJSCCWPJWGCKSV-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H](NC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000624100977 344538235 /nfs/dbraw/zinc/53/82/35/344538235.db2.gz AJSCCWPJWGCKSV-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H](NC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000624100977 344538237 /nfs/dbraw/zinc/53/82/37/344538237.db2.gz AJSCCWPJWGCKSV-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCN2C)CC[N@@H+]1C ZINC000624100977 344538239 /nfs/dbraw/zinc/53/82/39/344538239.db2.gz AJSCCWPJWGCKSV-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCN2C)CC[N@H+]1C ZINC000624100977 344538242 /nfs/dbraw/zinc/53/82/42/344538242.db2.gz AJSCCWPJWGCKSV-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP Cc1ncc(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000049538916 344651778 /nfs/dbraw/zinc/65/17/78/344651778.db2.gz BASNEBNNBZTMAW-UHFFFAOYSA-N 2 1 225.361 1.683 20 0 BDADMP Cn1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000158600835 344688223 /nfs/dbraw/zinc/68/82/23/344688223.db2.gz OOIIJDVXAFDBBI-KGLIPLIRSA-N 2 1 248.374 1.336 20 0 BDADMP CC[NH+](CC)CCCN1CCC(CC[NH3+])CC1 ZINC000075176469 344767742 /nfs/dbraw/zinc/76/77/42/344767742.db2.gz NYLPRICNCVWBRZ-UHFFFAOYSA-N 2 1 241.423 1.779 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000574519631 344885910 /nfs/dbraw/zinc/88/59/10/344885910.db2.gz USFBLYVATUEGFI-UHFFFAOYSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)C1CCNCC1 ZINC000574519631 344885913 /nfs/dbraw/zinc/88/59/13/344885913.db2.gz USFBLYVATUEGFI-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCNCC1 ZINC000574519631 344885915 /nfs/dbraw/zinc/88/59/15/344885915.db2.gz USFBLYVATUEGFI-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000569620078 344954332 /nfs/dbraw/zinc/95/43/32/344954332.db2.gz XYVHFERVSCJKCZ-UHFFFAOYSA-N 2 1 228.380 1.611 20 0 BDADMP CC(C)=CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115549764 187296805 /nfs/dbraw/zinc/29/68/05/187296805.db2.gz IHKRYMREVATFEY-UHFFFAOYSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)=CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115549764 187296807 /nfs/dbraw/zinc/29/68/07/187296807.db2.gz IHKRYMREVATFEY-UHFFFAOYSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000400552526 345044790 /nfs/dbraw/zinc/04/47/90/345044790.db2.gz YCXPPUKZWQLXQP-TUAOUCFPSA-N 2 1 214.353 1.388 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)nc1 ZINC000156600569 345189599 /nfs/dbraw/zinc/18/95/99/345189599.db2.gz GQIIEKVDFWHMDD-CHWSQXEVSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1nc(CC[NH2+]CC23CC(C2)C[NH2+]3)cs1 ZINC000634996011 345185774 /nfs/dbraw/zinc/18/57/74/345185774.db2.gz WKBFCODFVPLGQK-UHFFFAOYSA-N 2 1 237.372 1.336 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc3ccccn23)C[C@H]1C[NH3+] ZINC000634998668 345198253 /nfs/dbraw/zinc/19/82/53/345198253.db2.gz JFZBHEKDZQPQFS-NWDGAFQWSA-N 2 1 244.342 1.361 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C[NH3+] ZINC000634998238 345198292 /nfs/dbraw/zinc/19/82/92/345198292.db2.gz CJPCEGHBWORHMF-GXSJLCMTSA-N 2 1 210.346 1.775 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@H]1C[NH3+] ZINC000634999338 345199131 /nfs/dbraw/zinc/19/91/31/345199131.db2.gz SQCAAKQCKAKLPN-BXUZGUMPSA-N 2 1 245.370 1.681 20 0 BDADMP Cc1ncc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)s1 ZINC000635007388 345203163 /nfs/dbraw/zinc/20/31/63/345203163.db2.gz PSUREWVHXQOOEC-SFYZADRCSA-N 2 1 225.361 1.710 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635003461 345206358 /nfs/dbraw/zinc/20/63/58/345206358.db2.gz JWDQIMVGSMQFTE-CABCVRRESA-N 3 1 245.370 1.302 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005131 345209036 /nfs/dbraw/zinc/20/90/36/345209036.db2.gz MQFXEZDLUYYVIN-XDQVBPFNSA-N 2 1 239.407 1.754 20 0 BDADMP C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000635008057 345215850 /nfs/dbraw/zinc/21/58/50/345215850.db2.gz YPUBBINCOJAVOA-LPWJVIDDSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1C ZINC000635008170 345215907 /nfs/dbraw/zinc/21/59/07/345215907.db2.gz RLWNHFLSUAENOE-XDQVBPFNSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1C ZINC000635008170 345215910 /nfs/dbraw/zinc/21/59/10/345215910.db2.gz RLWNHFLSUAENOE-XDQVBPFNSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336655401 187305133 /nfs/dbraw/zinc/30/51/33/187305133.db2.gz KRXBIORDLGDEHY-CYBMUJFWSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000336692308 187307093 /nfs/dbraw/zinc/30/70/93/187307093.db2.gz HTLSNIJTGRWRGB-UONOGXRCSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336692308 187307095 /nfs/dbraw/zinc/30/70/95/187307095.db2.gz HTLSNIJTGRWRGB-UONOGXRCSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336692308 187307096 /nfs/dbraw/zinc/30/70/96/187307096.db2.gz HTLSNIJTGRWRGB-UONOGXRCSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336692308 187307098 /nfs/dbraw/zinc/30/70/98/187307098.db2.gz HTLSNIJTGRWRGB-UONOGXRCSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336692308 187307100 /nfs/dbraw/zinc/30/71/00/187307100.db2.gz HTLSNIJTGRWRGB-UONOGXRCSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000093944844 345668363 /nfs/dbraw/zinc/66/83/63/345668363.db2.gz XPHYRCVKTQBSTD-MQYQWHSLSA-N 2 1 242.407 1.713 20 0 BDADMP Nc1cnccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000641707594 362619242 /nfs/dbraw/zinc/61/92/42/362619242.db2.gz JJBDCQRHIJEXFX-CHWSQXEVSA-N 2 1 246.358 1.380 20 0 BDADMP Nc1cnccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000641707594 362619248 /nfs/dbraw/zinc/61/92/48/362619248.db2.gz JJBDCQRHIJEXFX-CHWSQXEVSA-N 2 1 246.358 1.380 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccncc1N ZINC000641712072 362622851 /nfs/dbraw/zinc/62/28/51/362622851.db2.gz ICOKGDRABJPDSI-JTQLQIEISA-N 2 1 222.336 1.094 20 0 BDADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000400727630 345644118 /nfs/dbraw/zinc/64/41/18/345644118.db2.gz PUUMMYRAYGFCPT-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)CO ZINC000230842451 345751989 /nfs/dbraw/zinc/75/19/89/345751989.db2.gz ISCPARBNSHSZDP-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000159980034 345768691 /nfs/dbraw/zinc/76/86/91/345768691.db2.gz KIQNOLREJAFVAF-RYUDHWBXSA-N 2 1 224.348 1.118 20 0 BDADMP CC[NH+]1CCC(CN[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400761734 345783136 /nfs/dbraw/zinc/78/31/36/345783136.db2.gz YIBBXKNTLTTXIN-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1C[NH2+]C1 ZINC000307654537 345878122 /nfs/dbraw/zinc/87/81/22/345878122.db2.gz MRZMLAYKNHIFNP-DOMZBBRYSA-N 2 1 245.370 1.068 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCCO1 ZINC000310294779 187312170 /nfs/dbraw/zinc/31/21/70/187312170.db2.gz SHCHHRFAEKSXAI-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123518944 537939507 /nfs/dbraw/zinc/93/95/07/537939507.db2.gz OAOFDTHHYKEPHQ-AVGNSLFASA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123518944 537939514 /nfs/dbraw/zinc/93/95/14/537939514.db2.gz OAOFDTHHYKEPHQ-AVGNSLFASA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631155033 346248733 /nfs/dbraw/zinc/24/87/33/346248733.db2.gz RBXBXIJPMLGXSO-UHFFFAOYSA-N 2 1 249.358 1.751 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000624110465 346266482 /nfs/dbraw/zinc/26/64/82/346266482.db2.gz ZKEUZGOPVMAZDY-MELADBBJSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000624110465 346266486 /nfs/dbraw/zinc/26/64/86/346266486.db2.gz ZKEUZGOPVMAZDY-MELADBBJSA-N 2 1 242.407 1.856 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2n[nH]cc21 ZINC000628277225 346285698 /nfs/dbraw/zinc/28/56/98/346285698.db2.gz IYRUEUYENBTDRC-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1ccncc1N ZINC000641737459 362664169 /nfs/dbraw/zinc/66/41/69/362664169.db2.gz VXBBVZUUFQGYAW-IINYFYTJSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1ccncc1N ZINC000641737459 362664177 /nfs/dbraw/zinc/66/41/77/362664177.db2.gz VXBBVZUUFQGYAW-IINYFYTJSA-N 2 1 246.358 1.236 20 0 BDADMP Cc1ncc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000628280763 346291958 /nfs/dbraw/zinc/29/19/58/346291958.db2.gz GMBGCDPPSISERP-ZWNOBZJWSA-N 2 1 237.347 1.755 20 0 BDADMP FC1(C[NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000380163732 346334072 /nfs/dbraw/zinc/33/40/72/346334072.db2.gz CPMUCQJFPXYCNT-UHFFFAOYSA-N 2 1 214.328 1.954 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300369354 346433047 /nfs/dbraw/zinc/43/30/47/346433047.db2.gz XQEWHBHTGFVYIV-QWHCGFSZSA-N 2 1 227.396 1.576 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300369354 346433048 /nfs/dbraw/zinc/43/30/48/346433048.db2.gz XQEWHBHTGFVYIV-QWHCGFSZSA-N 3 1 227.396 1.576 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300369354 346433052 /nfs/dbraw/zinc/43/30/52/346433052.db2.gz XQEWHBHTGFVYIV-QWHCGFSZSA-N 3 1 227.396 1.576 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)CCC(C)C ZINC000577098026 365815330 /nfs/dbraw/zinc/81/53/30/365815330.db2.gz PFVDEDQPMDBIEV-ZDUSSCGKSA-N 2 1 239.363 1.578 20 0 BDADMP CCC[N@@H+]1CC[C@@H](NCc2ccc(=O)[nH]c2)C1 ZINC000392771208 349962303 /nfs/dbraw/zinc/96/23/03/349962303.db2.gz WOFKOECZIPTQCD-GFCCVEGCSA-N 2 1 235.331 1.361 20 0 BDADMP [NH3+]C[C@H]([NH2+]CCc1cn[nH]c1)C1CCCCC1 ZINC000641800111 362750088 /nfs/dbraw/zinc/75/00/88/362750088.db2.gz WKKWKQKSZFYTHI-ZDUSSCGKSA-N 2 1 236.363 1.449 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803942 362761550 /nfs/dbraw/zinc/76/15/50/362761550.db2.gz WEZJPDOKIJIBME-RYUDHWBXSA-N 3 1 236.363 1.297 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOCC2CC2)[C@H]1C ZINC000641808331 362762814 /nfs/dbraw/zinc/76/28/14/362762814.db2.gz MWBKRLTYFDWYHG-MBNYWOFBSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOCC2CC2)[C@H]1C ZINC000641808331 362762820 /nfs/dbraw/zinc/76/28/20/362762820.db2.gz MWBKRLTYFDWYHG-MBNYWOFBSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1CCOCC[NH3+] ZINC000641800951 362753945 /nfs/dbraw/zinc/75/39/45/362753945.db2.gz JSRXVSKVMLTLPP-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP CC1(C)[C@H]([NH2+]CCC2CC[NH2+]CC2)C[C@@H]1N ZINC000641801698 362756834 /nfs/dbraw/zinc/75/68/34/362756834.db2.gz DZAJOFAGLMLART-NWDGAFQWSA-N 2 1 225.380 1.092 20 0 BDADMP C[NH2+]CCC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069909111 349968079 /nfs/dbraw/zinc/96/80/79/349968079.db2.gz RNOIVQBLAYNOKN-AOOOYVTPSA-N 2 1 202.367 1.422 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000641802121 362758200 /nfs/dbraw/zinc/75/82/00/362758200.db2.gz XVRWGXVGLIGLOX-NEPJUHHUSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)S1 ZINC000069910091 349968578 /nfs/dbraw/zinc/96/85/78/349968578.db2.gz UMEAXVMVDWXSRF-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000580129084 346544860 /nfs/dbraw/zinc/54/48/60/346544860.db2.gz KGDWVOCNYAKOEE-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000580129084 346544862 /nfs/dbraw/zinc/54/48/62/346544862.db2.gz KGDWVOCNYAKOEE-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187373832 346571991 /nfs/dbraw/zinc/57/19/91/346571991.db2.gz TWPHLSBZCGCAJW-ZIAGYGMSSA-N 2 1 242.407 1.933 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCSC1)C2 ZINC000622004897 370655371 /nfs/dbraw/zinc/65/53/71/370655371.db2.gz WEEJOJWXRHUDEU-TUAOUCFPSA-N 2 1 226.389 1.553 20 0 BDADMP CC[NH+]1CCC(N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000310073755 347226435 /nfs/dbraw/zinc/22/64/35/347226435.db2.gz AIWUQYHLNQOLQS-CYBMUJFWSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CC2)CC[N@H+]1C ZINC000395835961 362800065 /nfs/dbraw/zinc/80/00/65/362800065.db2.gz KJXBXTWGJTWWGZ-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000380705457 347249201 /nfs/dbraw/zinc/24/92/01/347249201.db2.gz LVUYFVGNAASBBX-GXFFZTMASA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000380705457 347249204 /nfs/dbraw/zinc/24/92/04/347249204.db2.gz LVUYFVGNAASBBX-GXFFZTMASA-N 2 1 219.332 1.702 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)C2CC2)CC1 ZINC000388244374 347260970 /nfs/dbraw/zinc/26/09/70/347260970.db2.gz SASNVKORVBKIHR-FZMZJTMJSA-N 2 1 240.391 1.874 20 0 BDADMP CN1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000250792546 362820868 /nfs/dbraw/zinc/82/08/68/362820868.db2.gz JZGBPOKQOGADIB-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000382837308 347444794 /nfs/dbraw/zinc/44/47/94/347444794.db2.gz PYUYXZDUCSAYOS-UPJWGTAASA-N 2 1 228.380 1.731 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000149784745 347518229 /nfs/dbraw/zinc/51/82/29/347518229.db2.gz ZSNLBLXAFQTLQS-WDEREUQCSA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000149784745 347518230 /nfs/dbraw/zinc/51/82/30/347518230.db2.gz ZSNLBLXAFQTLQS-WDEREUQCSA-N 2 1 200.326 1.095 20 0 BDADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCO)CC1 ZINC000590818858 347569327 /nfs/dbraw/zinc/56/93/27/347569327.db2.gz AZJFSUKRIRCSHE-UHFFFAOYSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1ccccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313385182 179274484 /nfs/dbraw/zinc/27/44/84/179274484.db2.gz KISOJXTZYHJNFR-AWEZNQCLSA-N 2 1 234.343 1.545 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCF ZINC000308458243 347669640 /nfs/dbraw/zinc/66/96/40/347669640.db2.gz FMBDFVUGSULKIB-MNOVXSKESA-N 2 1 202.317 1.938 20 0 BDADMP COC(=O)CC[N@@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000592493571 347787628 /nfs/dbraw/zinc/78/76/28/347787628.db2.gz VPRBKIGAPCCIIG-GFCCVEGCSA-N 2 1 242.363 1.117 20 0 BDADMP COC(C)(C)C[N@@H+](C)CCn1ccnc1 ZINC000535035057 323164093 /nfs/dbraw/zinc/16/40/93/323164093.db2.gz WTAPYVYHTPJTCO-UHFFFAOYSA-N 2 1 211.309 1.240 20 0 BDADMP CCOC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593729009 347937675 /nfs/dbraw/zinc/93/76/75/347937675.db2.gz CPUFELPVRBFDRZ-AAEUAGOBSA-N 2 1 240.347 1.000 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccnn1C ZINC000401812002 348019088 /nfs/dbraw/zinc/01/90/88/348019088.db2.gz UWVNFEKVJQUZJH-JTQLQIEISA-N 2 1 233.319 1.047 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCSC1 ZINC000037175251 348031137 /nfs/dbraw/zinc/03/11/37/348031137.db2.gz LNABJIUWTKAKHI-LLVKDONJSA-N 2 1 214.378 1.423 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CSCCF ZINC000595011949 348160579 /nfs/dbraw/zinc/16/05/79/348160579.db2.gz DHEXLRULLMZNTC-SNVBAGLBSA-N 2 1 245.367 1.872 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1(C)C ZINC000623490286 362914038 /nfs/dbraw/zinc/91/40/38/362914038.db2.gz FARWJLQSHOGUDV-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CSCC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000535758152 323190557 /nfs/dbraw/zinc/19/05/57/323190557.db2.gz ZCNGADDNYZZACN-JTQLQIEISA-N 2 1 225.361 1.572 20 0 BDADMP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000429452845 192147008 /nfs/dbraw/zinc/14/70/08/192147008.db2.gz QTQAVYJNYOXJHV-DCAQKATOSA-N 2 1 248.317 1.219 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CCC[NH2+]CC1 ZINC000420159824 192166136 /nfs/dbraw/zinc/16/61/36/192166136.db2.gz ILEJFWDCKLTHKG-UHFFFAOYSA-N 2 1 249.314 1.058 20 0 BDADMP [NH3+][C@@H]1CCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000420168307 192167766 /nfs/dbraw/zinc/16/77/66/192167766.db2.gz KCPLZWQOIOBAAF-LLVKDONJSA-N 2 1 247.346 1.004 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000246840794 349107782 /nfs/dbraw/zinc/10/77/82/349107782.db2.gz CDYZPULUGKVAIJ-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250603091 349177262 /nfs/dbraw/zinc/17/72/62/349177262.db2.gz KOYWEZJWOHNORG-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250603091 349177264 /nfs/dbraw/zinc/17/72/64/349177264.db2.gz KOYWEZJWOHNORG-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250603091 349177267 /nfs/dbraw/zinc/17/72/67/349177267.db2.gz KOYWEZJWOHNORG-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000250822135 349180295 /nfs/dbraw/zinc/18/02/95/349180295.db2.gz GNLYEMQICJFHKK-RFGFWPKPSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@@H](O)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000251056474 349181667 /nfs/dbraw/zinc/18/16/67/349181667.db2.gz PMUKTVCCRSVHJA-XQHREUISSA-N 2 1 226.364 1.361 20 0 BDADMP C[C@@H](O)[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000251056474 349181670 /nfs/dbraw/zinc/18/16/70/349181670.db2.gz PMUKTVCCRSVHJA-XQHREUISSA-N 2 1 226.364 1.361 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)CC1(C)C ZINC000623517603 362941837 /nfs/dbraw/zinc/94/18/37/362941837.db2.gz LGKIWJHSMILKKH-LBPRGKRZSA-N 2 1 240.391 1.754 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC2)C1 ZINC000250515992 349175083 /nfs/dbraw/zinc/17/50/83/349175083.db2.gz QPSATRDGNGMACF-RYUDHWBXSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250518179 349175210 /nfs/dbraw/zinc/17/52/10/349175210.db2.gz RMVQYHBINMRXKQ-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000251849883 362943219 /nfs/dbraw/zinc/94/32/19/362943219.db2.gz RQJPNEJGEHXPIN-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253109593 349223731 /nfs/dbraw/zinc/22/37/31/349223731.db2.gz FRLNIBUBYHMKKR-ACJTYDJDSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524715 362945881 /nfs/dbraw/zinc/94/58/81/362945881.db2.gz GHLHKUMZUUDDLJ-OLZOCXBDSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H](CF)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526003 362945944 /nfs/dbraw/zinc/94/59/44/362945944.db2.gz GMLSLHNYGSHWLM-VHSXEESVSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@@H](CF)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623526003 362945948 /nfs/dbraw/zinc/94/59/48/362945948.db2.gz GMLSLHNYGSHWLM-VHSXEESVSA-N 2 1 202.317 1.807 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000309045593 349402365 /nfs/dbraw/zinc/40/23/65/349402365.db2.gz OIRYCBVMCXLEEA-NWDGAFQWSA-N 2 1 212.337 1.238 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383942096 350041568 /nfs/dbraw/zinc/04/15/68/350041568.db2.gz FCWVOOCRCHVMQG-OKILXGFUSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nccn2c1 ZINC000603884231 350047846 /nfs/dbraw/zinc/04/78/46/350047846.db2.gz CCRKYHBHGORQQN-NSHDSACASA-N 2 1 244.298 1.367 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422708361 192437165 /nfs/dbraw/zinc/43/71/65/192437165.db2.gz BUKZIBQJNZYMSX-HSBZDZAISA-N 3 1 241.423 1.824 20 0 BDADMP CCC(CC)[C@@H](C[NH2+]CC1(C)COC1)[NH+](C)C ZINC000227519127 535108297 /nfs/dbraw/zinc/10/82/97/535108297.db2.gz IVRHKFQTLRVUBO-CYBMUJFWSA-N 2 1 242.407 1.979 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133388289 191039850 /nfs/dbraw/zinc/03/98/50/191039850.db2.gz VYMZKDPGZQTBDJ-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000133331968 191042654 /nfs/dbraw/zinc/04/26/54/191042654.db2.gz IWHOZZLSJPWNPT-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP CN(C)c1cc(NC(=O)C[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000427289722 191058386 /nfs/dbraw/zinc/05/83/86/191058386.db2.gz WFOYFZAEYUZURZ-SNVBAGLBSA-N 2 1 248.330 1.086 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229059731 180145328 /nfs/dbraw/zinc/14/53/28/180145328.db2.gz RJFDWUJVBHBOBZ-ONGXEEELSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229059731 180145331 /nfs/dbraw/zinc/14/53/31/180145331.db2.gz RJFDWUJVBHBOBZ-ONGXEEELSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229059717 180146537 /nfs/dbraw/zinc/14/65/37/180146537.db2.gz RJFDWUJVBHBOBZ-KOLCDFICSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229059717 180146539 /nfs/dbraw/zinc/14/65/39/180146539.db2.gz RJFDWUJVBHBOBZ-KOLCDFICSA-N 2 1 239.388 1.868 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1[NH3+] ZINC000006780183 350212015 /nfs/dbraw/zinc/21/20/15/350212015.db2.gz LRHHXVNCKIHDJJ-GXTWGEPZSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422747620 192451302 /nfs/dbraw/zinc/45/13/02/192451302.db2.gz ZCLSCNWPQDGYND-BPLDGKMQSA-N 2 1 248.370 1.320 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH+]1CC(O)(C2CC2)C1 ZINC000366764237 180233333 /nfs/dbraw/zinc/23/33/33/180233333.db2.gz CHJXINBOIMQJSA-UHFFFAOYSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000361944860 180239646 /nfs/dbraw/zinc/23/96/46/180239646.db2.gz OYCZUXDAHWUXBY-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000361944860 180239648 /nfs/dbraw/zinc/23/96/48/180239648.db2.gz OYCZUXDAHWUXBY-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C)(C)O ZINC000269123780 180236866 /nfs/dbraw/zinc/23/68/66/180236866.db2.gz BBGJFAJXVVJZDB-UHFFFAOYSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C)(C)O ZINC000269123780 180236870 /nfs/dbraw/zinc/23/68/70/180236870.db2.gz BBGJFAJXVVJZDB-UHFFFAOYSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000269702236 180246409 /nfs/dbraw/zinc/24/64/09/180246409.db2.gz MHAKGRBDONGYHT-CMPLNLGQSA-N 2 1 223.320 1.349 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000268896294 180246416 /nfs/dbraw/zinc/24/64/16/180246416.db2.gz VVIWXDMYPIGZBK-LLVKDONJSA-N 2 1 247.346 1.666 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000364784052 180246967 /nfs/dbraw/zinc/24/69/67/180246967.db2.gz KXVLXDFHRZDVIQ-UONOGXRCSA-N 2 1 249.358 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000337948132 180248022 /nfs/dbraw/zinc/24/80/22/180248022.db2.gz KQBWHDBUZTXHKR-WCQYABFASA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000336705656 180248896 /nfs/dbraw/zinc/24/88/96/180248896.db2.gz NTANPDWNNYQLQB-OLZOCXBDSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000336705656 180248897 /nfs/dbraw/zinc/24/88/97/180248897.db2.gz NTANPDWNNYQLQB-OLZOCXBDSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000336680036 180250796 /nfs/dbraw/zinc/25/07/96/180250796.db2.gz CITLWIKIKHVFPN-CYBMUJFWSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCCOC1 ZINC000336680036 180250798 /nfs/dbraw/zinc/25/07/98/180250798.db2.gz CITLWIKIKHVFPN-CYBMUJFWSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336615337 180251898 /nfs/dbraw/zinc/25/18/98/180251898.db2.gz MNAFTFLKZNZBBX-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336615337 180251899 /nfs/dbraw/zinc/25/18/99/180251899.db2.gz MNAFTFLKZNZBBX-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000330516474 180241069 /nfs/dbraw/zinc/24/10/69/180241069.db2.gz INQUIWCWQVJOCK-LLVKDONJSA-N 2 1 236.319 1.581 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000330516474 180241071 /nfs/dbraw/zinc/24/10/71/180241071.db2.gz INQUIWCWQVJOCK-LLVKDONJSA-N 2 1 236.319 1.581 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000163470396 180241187 /nfs/dbraw/zinc/24/11/87/180241187.db2.gz KGCZHDMSNYLPSE-UHFFFAOYSA-N 2 1 245.330 1.363 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2n[nH]cc2C1 ZINC000163470396 180241188 /nfs/dbraw/zinc/24/11/88/180241188.db2.gz KGCZHDMSNYLPSE-UHFFFAOYSA-N 2 1 245.330 1.363 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000305755916 180241758 /nfs/dbraw/zinc/24/17/58/180241758.db2.gz BJCZHRRJNZWTKJ-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000305755916 180241761 /nfs/dbraw/zinc/24/17/61/180241761.db2.gz BJCZHRRJNZWTKJ-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCOCC1 ZINC000371198039 180242747 /nfs/dbraw/zinc/24/27/47/180242747.db2.gz LGKMDLBXBDUYSJ-UHFFFAOYSA-N 2 1 223.320 1.304 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCOCC1 ZINC000371198039 180242750 /nfs/dbraw/zinc/24/27/50/180242750.db2.gz LGKMDLBXBDUYSJ-UHFFFAOYSA-N 2 1 223.320 1.304 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(CO)o1 ZINC000266208273 180244340 /nfs/dbraw/zinc/24/43/40/180244340.db2.gz NHXBCEPXGHSUNU-UHFFFAOYSA-N 2 1 249.314 1.457 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc[nH]c1 ZINC000086252879 180265629 /nfs/dbraw/zinc/26/56/29/180265629.db2.gz WWGLQKHMEHOURK-LLVKDONJSA-N 2 1 232.331 1.946 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCOC1 ZINC000088702334 180268152 /nfs/dbraw/zinc/26/81/52/180268152.db2.gz RTOROFOWIWLRBW-PWSUYJOCSA-N 2 1 223.320 1.206 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224622776 350330376 /nfs/dbraw/zinc/33/03/76/350330376.db2.gz GCSPEAWARRXHAX-GARJFASQSA-N 2 1 214.378 1.409 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328174742 350374775 /nfs/dbraw/zinc/37/47/75/350374775.db2.gz KYHARASYVSUEKO-XQQFMLRXSA-N 2 1 226.364 1.208 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccncc1 ZINC000069754247 350396946 /nfs/dbraw/zinc/39/69/46/350396946.db2.gz JOJJSZSHUQSXLQ-UHFFFAOYSA-N 2 1 230.315 1.766 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126926869 180338654 /nfs/dbraw/zinc/33/86/54/180338654.db2.gz KCICMBJTOVTUGS-BXKDBHETSA-N 2 1 236.363 1.206 20 0 BDADMP Cc1nn(C)cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128288551 180372450 /nfs/dbraw/zinc/37/24/50/180372450.db2.gz BVTYZXFJYGIOBE-CYBMUJFWSA-N 2 1 238.379 1.534 20 0 BDADMP Cc1nn(C)cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128288551 180372451 /nfs/dbraw/zinc/37/24/51/180372451.db2.gz BVTYZXFJYGIOBE-CYBMUJFWSA-N 2 1 238.379 1.534 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000128257553 180372546 /nfs/dbraw/zinc/37/25/46/180372546.db2.gz KPHSYHIKTSWLNB-CYBMUJFWSA-N 2 1 236.363 1.432 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537684 362957038 /nfs/dbraw/zinc/95/70/38/362957038.db2.gz BPVJSUIOOUFYHH-NWDGAFQWSA-N 2 1 242.407 1.998 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000083569374 180379203 /nfs/dbraw/zinc/37/92/03/180379203.db2.gz GCIIAYBWRDVOJQ-SNVBAGLBSA-N 2 1 224.352 1.331 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000577499543 365970507 /nfs/dbraw/zinc/97/05/07/365970507.db2.gz YYBQIKWGURQLHN-NSHDSACASA-N 2 1 238.379 1.767 20 0 BDADMP OCC[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC000309517174 350693366 /nfs/dbraw/zinc/69/33/66/350693366.db2.gz RZOTWJYTDDKKHS-UHFFFAOYSA-N 2 1 226.364 1.365 20 0 BDADMP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000177393123 365999061 /nfs/dbraw/zinc/99/90/61/365999061.db2.gz MCQKQCOYYQIGNG-TZMCWYRMSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000623559984 362983553 /nfs/dbraw/zinc/98/35/53/362983553.db2.gz RDPVXFXCGZWQPA-LOWDOPEQSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000623085856 350843717 /nfs/dbraw/zinc/84/37/17/350843717.db2.gz JBQOCLSLAZWZJB-GDNZZTSVSA-N 2 1 237.347 1.508 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000336665658 350861789 /nfs/dbraw/zinc/86/17/89/350861789.db2.gz PQDWOJZWULQLPK-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336665658 350861791 /nfs/dbraw/zinc/86/17/91/350861791.db2.gz PQDWOJZWULQLPK-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336665658 350861793 /nfs/dbraw/zinc/86/17/93/350861793.db2.gz PQDWOJZWULQLPK-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336665658 350861795 /nfs/dbraw/zinc/86/17/95/350861795.db2.gz PQDWOJZWULQLPK-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336665658 350861798 /nfs/dbraw/zinc/86/17/98/350861798.db2.gz PQDWOJZWULQLPK-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCOCCF)CC1(C)C ZINC000623575404 363004926 /nfs/dbraw/zinc/00/49/26/363004926.db2.gz ZCWUSZLGMVYRDC-LLVKDONJSA-N 2 1 232.343 1.435 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCCCS1 ZINC000087683690 351347362 /nfs/dbraw/zinc/34/73/62/351347362.db2.gz DFCMRQPEOYRHMS-VHSXEESVSA-N 2 1 200.351 1.224 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)CN1 ZINC000414769025 351716338 /nfs/dbraw/zinc/71/63/38/351716338.db2.gz VYZLEZRANQZNAA-FDYHWXHSSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@@H](C)[NH2+]C[C@H]2C)CC[NH2+]1 ZINC000414769025 351716341 /nfs/dbraw/zinc/71/63/41/351716341.db2.gz VYZLEZRANQZNAA-FDYHWXHSSA-N 2 1 225.380 1.057 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]1CCCOC1 ZINC000414854741 351906266 /nfs/dbraw/zinc/90/62/66/351906266.db2.gz VIXIJBABMHZXFU-NWDGAFQWSA-N 2 1 214.353 1.376 20 0 BDADMP COC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083846973 351957733 /nfs/dbraw/zinc/95/77/33/351957733.db2.gz FHRCOVYSEWPSMJ-ODWCKFRGSA-N 2 1 226.364 1.626 20 0 BDADMP COC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083846973 351957738 /nfs/dbraw/zinc/95/77/38/351957738.db2.gz FHRCOVYSEWPSMJ-ODWCKFRGSA-N 2 1 226.364 1.626 20 0 BDADMP C(C1CCSCC1)[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638088354 351965220 /nfs/dbraw/zinc/96/52/20/351965220.db2.gz ADJQQSSXSMHEDI-QWHCGFSZSA-N 2 1 240.416 1.813 20 0 BDADMP C(C1CCSCC1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638088354 351965225 /nfs/dbraw/zinc/96/52/25/351965225.db2.gz ADJQQSSXSMHEDI-QWHCGFSZSA-N 2 1 240.416 1.813 20 0 BDADMP CC[C@@H](C)[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088435 351965269 /nfs/dbraw/zinc/96/52/69/351965269.db2.gz CWNSUHKTJCPXOB-RQJABVFESA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@@H](C)[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088435 351965272 /nfs/dbraw/zinc/96/52/72/351965272.db2.gz CWNSUHKTJCPXOB-RQJABVFESA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000638452427 352263027 /nfs/dbraw/zinc/26/30/27/352263027.db2.gz ZAWAJOLAWFGZQI-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000638452427 352263030 /nfs/dbraw/zinc/26/30/30/352263030.db2.gz ZAWAJOLAWFGZQI-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000414918076 352272729 /nfs/dbraw/zinc/27/27/29/352272729.db2.gz XKQDYKAWAVLYQH-NEPJUHHUSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000414918076 352272732 /nfs/dbraw/zinc/27/27/32/352272732.db2.gz XKQDYKAWAVLYQH-NEPJUHHUSA-N 2 1 214.353 1.066 20 0 BDADMP CO[C@](C)(C[NH2+][C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000638496240 352312523 /nfs/dbraw/zinc/31/25/23/352312523.db2.gz QZUHNQUZSHQVHZ-TZMCWYRMSA-N 2 1 249.358 1.603 20 0 BDADMP COc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414951854 352371962 /nfs/dbraw/zinc/37/19/62/352371962.db2.gz QEYBWTOSAYSFAB-YPMHNXCESA-N 2 1 234.343 1.925 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+]C1Cc2ccccc2C1 ZINC000414959655 352381733 /nfs/dbraw/zinc/38/17/33/352381733.db2.gz QAXKYZJZEQPHQG-LLVKDONJSA-N 2 1 218.344 1.741 20 0 BDADMP C[C@H]1C[C@H](N2CC([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000307556033 352648240 /nfs/dbraw/zinc/64/82/40/352648240.db2.gz YQIAMNNJLARDCH-WFASDCNBSA-N 2 1 245.370 1.292 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000049566101 352634336 /nfs/dbraw/zinc/63/43/36/352634336.db2.gz KXGNODCUEVFXEZ-NEPJUHHUSA-N 2 1 240.347 1.113 20 0 BDADMP CC(C)C[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402036 352637472 /nfs/dbraw/zinc/63/74/72/352637472.db2.gz PKFBWUXNBFXXFN-UHFFFAOYSA-N 2 1 226.324 1.351 20 0 BDADMP CC(C)C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402036 352637474 /nfs/dbraw/zinc/63/74/74/352637474.db2.gz PKFBWUXNBFXXFN-UHFFFAOYSA-N 2 1 226.324 1.351 20 0 BDADMP COC1([C@H](C)[NH2+]CCc2c[nH+]cn2C)CCC1 ZINC000412021294 191238261 /nfs/dbraw/zinc/23/82/61/191238261.db2.gz LVAOOBCGSSXTGM-NSHDSACASA-N 2 1 237.347 1.510 20 0 BDADMP Cc1nccn1CC[N@H+]1CCOCC12CCC2 ZINC000334175191 352760470 /nfs/dbraw/zinc/76/04/70/352760470.db2.gz BCYCUESGGPYPFR-UHFFFAOYSA-N 2 1 235.331 1.446 20 0 BDADMP Cc1nc(NCC[C@@H]2CCC[NH2+]C2)c(C)c(C)[nH+]1 ZINC000420214344 192176642 /nfs/dbraw/zinc/17/66/42/192176642.db2.gz VJMOMXSLBWYZGB-ZDUSSCGKSA-N 2 1 248.374 1.625 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C1(CO)CCCC1 ZINC000342865870 352882542 /nfs/dbraw/zinc/88/25/42/352882542.db2.gz WXMBMEAXVPSWAF-UHFFFAOYSA-N 2 1 237.347 1.476 20 0 BDADMP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)C[C@H]1O ZINC000342870240 352883606 /nfs/dbraw/zinc/88/36/06/352883606.db2.gz BVFUQDOEGHOIBW-QWHCGFSZSA-N 2 1 237.347 1.284 20 0 BDADMP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@H]1O ZINC000342870240 352883610 /nfs/dbraw/zinc/88/36/10/352883610.db2.gz BVFUQDOEGHOIBW-QWHCGFSZSA-N 2 1 237.347 1.284 20 0 BDADMP C[N@H+]1CC=C(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638837921 353022303 /nfs/dbraw/zinc/02/23/03/353022303.db2.gz AFSLARNNEGXLAB-UHFFFAOYSA-N 2 1 247.342 1.904 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638837921 353022308 /nfs/dbraw/zinc/02/23/08/353022308.db2.gz AFSLARNNEGXLAB-UHFFFAOYSA-N 2 1 247.342 1.904 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820461 353000483 /nfs/dbraw/zinc/00/04/83/353000483.db2.gz WNYWFPIUYJHBSC-LBPRGKRZSA-N 2 1 241.379 1.057 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC(OCC2CC2)CC1 ZINC000261648291 535196820 /nfs/dbraw/zinc/19/68/20/535196820.db2.gz AUPDIMYZGCKECN-UHFFFAOYSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000300900128 188001522 /nfs/dbraw/zinc/00/15/22/188001522.db2.gz VZKYISKZYHTMRK-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC1(O)CCC1 ZINC000336669902 188010719 /nfs/dbraw/zinc/01/07/19/188010719.db2.gz ICZDWTGUOHEESJ-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC1(O)CCC1 ZINC000336669902 188010721 /nfs/dbraw/zinc/01/07/21/188010721.db2.gz ICZDWTGUOHEESJ-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC1(O)CCC1 ZINC000336669902 188010723 /nfs/dbraw/zinc/01/07/23/188010723.db2.gz ICZDWTGUOHEESJ-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000276632844 188028789 /nfs/dbraw/zinc/02/87/89/188028789.db2.gz JQUCOZATHHDDRP-AWEZNQCLSA-N 2 1 245.326 1.286 20 0 BDADMP C=Cn1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000278499411 188030872 /nfs/dbraw/zinc/03/08/72/188030872.db2.gz NIEDGBFZBNVGIU-UONOGXRCSA-N 2 1 246.358 1.510 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043428074 188043001 /nfs/dbraw/zinc/04/30/01/188043001.db2.gz RXNPTMKGQXEAGH-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000037619269 358475036 /nfs/dbraw/zinc/47/50/36/358475036.db2.gz KLNHHBTWRJJVMD-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CC[N@H+]1CC[C@H](CNC2CC[NH+](CC)CC2)C1 ZINC000037643798 358475460 /nfs/dbraw/zinc/47/54/60/358475460.db2.gz MRZOFSNUWOLKCQ-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](CC)CC2)C1 ZINC000037643798 358475464 /nfs/dbraw/zinc/47/54/64/358475464.db2.gz MRZOFSNUWOLKCQ-CYBMUJFWSA-N 3 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](CC)CC2)C1 ZINC000037643798 358475467 /nfs/dbraw/zinc/47/54/67/358475467.db2.gz MRZOFSNUWOLKCQ-CYBMUJFWSA-N 3 1 239.407 1.402 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251821671 353292629 /nfs/dbraw/zinc/29/26/29/353292629.db2.gz OZQSYSNGTLWOMC-GXFFZTMASA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251821671 353292632 /nfs/dbraw/zinc/29/26/32/353292632.db2.gz OZQSYSNGTLWOMC-GXFFZTMASA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251827487 353292819 /nfs/dbraw/zinc/29/28/19/353292819.db2.gz PHOLXGULIRYGIL-GRYCIOLGSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251827487 353292821 /nfs/dbraw/zinc/29/28/21/353292821.db2.gz PHOLXGULIRYGIL-GRYCIOLGSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251942161 353293368 /nfs/dbraw/zinc/29/33/68/353293368.db2.gz ZRDQUJUQLMWZKT-WCQYABFASA-N 2 1 219.332 1.293 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H]1CCC[NH2+]C1 ZINC000251869569 353293610 /nfs/dbraw/zinc/29/36/10/353293610.db2.gz TXVRMESRJJXZSI-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP Oc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000085281996 538115932 /nfs/dbraw/zinc/11/59/32/538115932.db2.gz MHHDULVKPZNWNW-VXGBXAGGSA-N 2 1 218.300 1.043 20 0 BDADMP CCc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000085282292 538115965 /nfs/dbraw/zinc/11/59/65/538115965.db2.gz RFKSRMYGPKPMDX-GHMZBOCLSA-N 2 1 220.316 1.493 20 0 BDADMP CCc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000085282293 538115991 /nfs/dbraw/zinc/11/59/91/538115991.db2.gz RFKSRMYGPKPMDX-QWRGUYRKSA-N 2 1 220.316 1.493 20 0 BDADMP Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(C)[nH+]1 ZINC000091481383 353408623 /nfs/dbraw/zinc/40/86/23/353408623.db2.gz HZHLVGNSAFLGOR-LBPRGKRZSA-N 2 1 234.347 1.846 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(O)c3)C[C@@H]21 ZINC000230126208 353473525 /nfs/dbraw/zinc/47/35/25/353473525.db2.gz NYESHHZTXMSUHL-AEGPPILISA-N 2 1 246.354 1.951 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCSC(C)(C)CC1 ZINC000231051343 353561179 /nfs/dbraw/zinc/56/11/79/353561179.db2.gz XHOHOGNTZZUGCR-UHFFFAOYSA-N 2 1 216.394 1.941 20 0 BDADMP CO[C@@](C)(C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CC1 ZINC000639113591 353705874 /nfs/dbraw/zinc/70/58/74/353705874.db2.gz ORNGUXFAKWMYCQ-SCRDCRAPSA-N 2 1 238.375 1.295 20 0 BDADMP C([NH2+]C1CCSCC1)[C@@H]1CCCC[NH2+]1 ZINC000232449930 353726786 /nfs/dbraw/zinc/72/67/86/353726786.db2.gz VUGRUJPSGSBPCS-NSHDSACASA-N 2 1 214.378 1.614 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000334521773 353887739 /nfs/dbraw/zinc/88/77/39/353887739.db2.gz XQFJYWCPKHSCRJ-UZEXVOJHSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000334521773 353887741 /nfs/dbraw/zinc/88/77/41/353887741.db2.gz XQFJYWCPKHSCRJ-UZEXVOJHSA-N 2 1 214.328 1.807 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000343686574 353963507 /nfs/dbraw/zinc/96/35/07/353963507.db2.gz BOERNKORFQIGAR-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000343686574 353963509 /nfs/dbraw/zinc/96/35/09/353963509.db2.gz BOERNKORFQIGAR-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000343686574 353963512 /nfs/dbraw/zinc/96/35/12/353963512.db2.gz BOERNKORFQIGAR-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000343686574 353963514 /nfs/dbraw/zinc/96/35/14/353963514.db2.gz BOERNKORFQIGAR-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000343686574 353963515 /nfs/dbraw/zinc/96/35/15/353963515.db2.gz BOERNKORFQIGAR-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2ncncc12 ZINC000639167581 354035753 /nfs/dbraw/zinc/03/57/53/354035753.db2.gz ILVHXWKSYCIQCU-UHFFFAOYSA-N 2 1 247.346 1.293 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2ncncc12 ZINC000639167581 354035754 /nfs/dbraw/zinc/03/57/54/354035754.db2.gz ILVHXWKSYCIQCU-UHFFFAOYSA-N 2 1 247.346 1.293 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH+](CC)C[C@H]1C)C(C)C ZINC000343907994 354036809 /nfs/dbraw/zinc/03/68/09/354036809.db2.gz GYKIPJIGCZZOBM-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@H+](CC)C[C@H]1C)C(C)C ZINC000343907994 354036812 /nfs/dbraw/zinc/03/68/12/354036812.db2.gz GYKIPJIGCZZOBM-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@@H+](CC)C[C@H]1C)C(C)C ZINC000343907994 354036814 /nfs/dbraw/zinc/03/68/14/354036814.db2.gz GYKIPJIGCZZOBM-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344130847 354146292 /nfs/dbraw/zinc/14/62/92/354146292.db2.gz IEVIGWYNBSKZIE-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449737576 202013895 /nfs/dbraw/zinc/01/38/95/202013895.db2.gz SILPYEOYFQDIEU-SMDDNHRTSA-N 2 1 249.358 1.398 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)[C@@H](C)C1 ZINC000449739790 202016242 /nfs/dbraw/zinc/01/62/42/202016242.db2.gz MHCDDJDTUUDJAV-UBHSHLNASA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCC2)[C@@H](C)C1 ZINC000449739788 202016506 /nfs/dbraw/zinc/01/65/06/202016506.db2.gz MHCDDJDTUUDJAV-FPMFFAJLSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000344379373 354256240 /nfs/dbraw/zinc/25/62/40/354256240.db2.gz SRTOYKCYGKQOSN-ZIAGYGMSSA-N 2 1 249.358 1.739 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC[C@H]3CCO3)C2)C1 ZINC000639202725 354608186 /nfs/dbraw/zinc/60/81/86/354608186.db2.gz BCAXCHRLMOZYTR-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC[C@H]3CCO3)C2)C1 ZINC000639202725 354608189 /nfs/dbraw/zinc/60/81/89/354608189.db2.gz BCAXCHRLMOZYTR-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC[C@H]3CCO3)C2)C1 ZINC000639202725 354608192 /nfs/dbraw/zinc/60/81/92/354608192.db2.gz BCAXCHRLMOZYTR-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335137691 354788378 /nfs/dbraw/zinc/78/83/78/354788378.db2.gz NIBXWQGXWYJRRC-IFWUJCSASA-N 2 1 225.380 1.506 20 0 BDADMP C[N@@H+](CCCCCO)C[C@H]1CCC[NH2+]C1 ZINC000234262795 363418230 /nfs/dbraw/zinc/41/82/30/363418230.db2.gz VCVOVWNEBRPVOB-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000346498662 354960350 /nfs/dbraw/zinc/96/03/50/354960350.db2.gz SPJOAMAZINMQLE-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCF)[C@H](C)C1 ZINC000346557822 354967712 /nfs/dbraw/zinc/96/77/12/354967712.db2.gz ITCLIZNYFYLSBD-CHWSQXEVSA-N 2 1 246.370 1.683 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCF)[C@H](C)C1 ZINC000346557822 354967714 /nfs/dbraw/zinc/96/77/14/354967714.db2.gz ITCLIZNYFYLSBD-CHWSQXEVSA-N 2 1 246.370 1.683 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000346863091 355119606 /nfs/dbraw/zinc/11/96/06/355119606.db2.gz WZYSZFAWPBIAAH-ZDUSSCGKSA-N 2 1 233.359 1.910 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000346863091 355119609 /nfs/dbraw/zinc/11/96/09/355119609.db2.gz WZYSZFAWPBIAAH-ZDUSSCGKSA-N 2 1 233.359 1.910 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000346848400 355136595 /nfs/dbraw/zinc/13/65/95/355136595.db2.gz QJWCSYPXYYMGSP-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000346848400 355136597 /nfs/dbraw/zinc/13/65/97/355136597.db2.gz QJWCSYPXYYMGSP-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1c[nH+]cc1CCSCC[NH+](C)C ZINC000412995606 191333038 /nfs/dbraw/zinc/33/30/38/191333038.db2.gz DEVQPOIXTSRPMU-UHFFFAOYSA-N 2 1 213.350 1.257 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2C[NH3+])CCO1 ZINC000347011697 355205077 /nfs/dbraw/zinc/20/50/77/355205077.db2.gz GTXOPLKLOZLYPH-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2C[NH3+])CCO1 ZINC000347011697 355205081 /nfs/dbraw/zinc/20/50/81/355205081.db2.gz GTXOPLKLOZLYPH-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@H](C[N@H+](C)CCCn1cc[nH+]c1C)OC ZINC000412974317 191345159 /nfs/dbraw/zinc/34/51/59/191345159.db2.gz ACCKOEYQGSUEHN-CYBMUJFWSA-N 2 1 239.363 1.938 20 0 BDADMP CC[C@H](C[N@@H+](C)CCCn1cc[nH+]c1C)OC ZINC000412974317 191345161 /nfs/dbraw/zinc/34/51/61/191345161.db2.gz ACCKOEYQGSUEHN-CYBMUJFWSA-N 2 1 239.363 1.938 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000412975270 191346361 /nfs/dbraw/zinc/34/63/61/191346361.db2.gz FAUBFMJPSGBORE-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000412975270 191346363 /nfs/dbraw/zinc/34/63/63/191346363.db2.gz FAUBFMJPSGBORE-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000639245353 355267017 /nfs/dbraw/zinc/26/70/17/355267017.db2.gz WTHXWBHLALNPRC-CHWSQXEVSA-N 2 1 248.374 1.400 20 0 BDADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414182147 191453793 /nfs/dbraw/zinc/45/37/93/191453793.db2.gz MYSRDXCEWUHUGW-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000166370082 355390751 /nfs/dbraw/zinc/39/07/51/355390751.db2.gz MEUXJKOCCJVNPM-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP NC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000263967944 181189851 /nfs/dbraw/zinc/18/98/51/181189851.db2.gz MUNYPVGRTBGEST-ZDUSSCGKSA-N 2 1 246.358 1.034 20 0 BDADMP Fc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000335777946 355403666 /nfs/dbraw/zinc/40/36/66/355403666.db2.gz UBXPFQBBAWYKAU-JSGCOSHPSA-N 2 1 249.333 1.937 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC([NH3+])CC1 ZINC000414814147 191579039 /nfs/dbraw/zinc/57/90/39/191579039.db2.gz NHLPMKCEAIYYIR-MCIGGMRASA-N 3 1 213.369 1.363 20 0 BDADMP CCCOc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415043871 191661248 /nfs/dbraw/zinc/66/12/48/191661248.db2.gz UURCBGQSEUKKJO-FICVDOATSA-N 2 1 246.354 1.783 20 0 BDADMP c1ccc2c(c1)CC([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC000215996463 355654811 /nfs/dbraw/zinc/65/48/11/355654811.db2.gz BEBWSBNOCWREBR-CYBMUJFWSA-N 2 1 216.328 1.495 20 0 BDADMP C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000350724180 355749406 /nfs/dbraw/zinc/74/94/06/355749406.db2.gz HZURCJKSGXFAIV-SECBINFHSA-N 2 1 246.314 1.818 20 0 BDADMP CSCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129641244 355766183 /nfs/dbraw/zinc/76/61/83/355766183.db2.gz ZHOJNMNVQOYGNL-ZJUUUORDSA-N 2 1 202.367 1.422 20 0 BDADMP C[C@H]1C[C@@H](N2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000639343184 355785827 /nfs/dbraw/zinc/78/58/27/355785827.db2.gz GUQODPHTULXIEY-JQWIXIFHSA-N 2 1 234.347 1.251 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000216026937 355798013 /nfs/dbraw/zinc/79/80/13/355798013.db2.gz ICLRNIILWSLOKQ-RYUDHWBXSA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000216026896 355798087 /nfs/dbraw/zinc/79/80/87/355798087.db2.gz ICLRNIILWSLOKQ-NEPJUHHUSA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000530218950 355901396 /nfs/dbraw/zinc/90/13/96/355901396.db2.gz IHPHXLORXFYZHQ-AAEUAGOBSA-N 2 1 249.358 1.220 20 0 BDADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472311 355997612 /nfs/dbraw/zinc/99/76/12/355997612.db2.gz AOZKFPBMGLWEEA-WCFLWFBJSA-N 2 1 249.358 1.715 20 0 BDADMP C[C@@H](Nc1cc[nH+]c(N2CCCCC2)n1)[C@H](C)[NH3+] ZINC000420262123 192191877 /nfs/dbraw/zinc/19/18/77/192191877.db2.gz LXUMTDJVPNSVNB-WDEREUQCSA-N 2 1 249.362 1.036 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420265203 192192576 /nfs/dbraw/zinc/19/25/76/192192576.db2.gz BHZKFSGFFIPMAY-YNEHKIRRSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420265203 192192579 /nfs/dbraw/zinc/19/25/79/192192579.db2.gz BHZKFSGFFIPMAY-YNEHKIRRSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420265201 192192746 /nfs/dbraw/zinc/19/27/46/192192746.db2.gz BHZKFSGFFIPMAY-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420265201 192192747 /nfs/dbraw/zinc/19/27/47/192192747.db2.gz BHZKFSGFFIPMAY-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000639476723 356272106 /nfs/dbraw/zinc/27/21/06/356272106.db2.gz KBQIQDQFUZUUOS-BFHYXJOUSA-N 2 1 249.358 1.945 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420295796 192203562 /nfs/dbraw/zinc/20/35/62/192203562.db2.gz AUNMNGCTVXCWRX-LBPRGKRZSA-N 2 1 230.352 1.291 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294094 192203703 /nfs/dbraw/zinc/20/37/03/192203703.db2.gz SJAVCXBYSONOMI-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294094 192203706 /nfs/dbraw/zinc/20/37/06/192203706.db2.gz SJAVCXBYSONOMI-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP CCN(C)C(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420295996 192205199 /nfs/dbraw/zinc/20/51/99/192205199.db2.gz WKKMNHIGVYEGDG-LBPRGKRZSA-N 2 1 243.395 1.160 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420319241 192195450 /nfs/dbraw/zinc/19/54/50/192195450.db2.gz XOIKPILGFHVOQU-GFCCVEGCSA-N 2 1 242.363 1.389 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000420318560 192196204 /nfs/dbraw/zinc/19/62/04/192196204.db2.gz QHHHXJYWMQORIA-GJZGRUSLSA-N 2 1 245.370 1.698 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420299503 192206796 /nfs/dbraw/zinc/20/67/96/192206796.db2.gz GQVMDDBADIEIHW-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000639488502 356305514 /nfs/dbraw/zinc/30/55/14/356305514.db2.gz IRYRKECHTPVNMX-YNEHKIRRSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420283601 192199266 /nfs/dbraw/zinc/19/92/66/192199266.db2.gz CHMLUMYJPJWNSA-UONOGXRCSA-N 3 1 241.423 1.681 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420282698 192199459 /nfs/dbraw/zinc/19/94/59/192199459.db2.gz BDVGCFPOLCVJQX-AAEUAGOBSA-N 3 1 225.380 1.093 20 0 BDADMP C[C@](C[NH3+])([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420282700 192199524 /nfs/dbraw/zinc/19/95/24/192199524.db2.gz BDVGCFPOLCVJQX-WCQYABFASA-N 3 1 225.380 1.093 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420285593 192200451 /nfs/dbraw/zinc/20/04/51/192200451.db2.gz FGQMZUXYLZNHPA-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420285593 192200453 /nfs/dbraw/zinc/20/04/53/192200453.db2.gz FGQMZUXYLZNHPA-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000420299498 192207115 /nfs/dbraw/zinc/20/71/15/192207115.db2.gz GQVMDDBADIEIHW-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420287349 192200896 /nfs/dbraw/zinc/20/08/96/192200896.db2.gz GCMTUOYGTFLFIZ-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420287349 192200898 /nfs/dbraw/zinc/20/08/98/192200898.db2.gz GCMTUOYGTFLFIZ-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420294439 192202490 /nfs/dbraw/zinc/20/24/90/192202490.db2.gz SSMMVGIKKWWZBI-LBPRGKRZSA-N 3 1 227.396 1.293 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)(C)CN ZINC000420294439 192202492 /nfs/dbraw/zinc/20/24/92/192202492.db2.gz SSMMVGIKKWWZBI-LBPRGKRZSA-N 2 1 227.396 1.293 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)(C)CN ZINC000420294439 192202494 /nfs/dbraw/zinc/20/24/94/192202494.db2.gz SSMMVGIKKWWZBI-LBPRGKRZSA-N 2 1 227.396 1.293 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000336120973 134091059 /nfs/dbraw/zinc/09/10/59/134091059.db2.gz GRXLJLRHXGXXKA-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP Nc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccn1 ZINC000420316409 192213396 /nfs/dbraw/zinc/21/33/96/192213396.db2.gz YCLQABWQWADEHZ-XQQFMLRXSA-N 2 1 246.358 1.053 20 0 BDADMP FCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334898 192214172 /nfs/dbraw/zinc/21/41/72/192214172.db2.gz UNMGCEFZOYFNCG-RYUDHWBXSA-N 2 1 214.328 1.668 20 0 BDADMP FC(F)COCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345551 192215875 /nfs/dbraw/zinc/21/58/75/192215875.db2.gz VREMJAXKTJFFFZ-PHIMTYICSA-N 2 1 248.317 1.200 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420353980 192217639 /nfs/dbraw/zinc/21/76/39/192217639.db2.gz NSNRHPDSNBAWAF-QWRGUYRKSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420353980 192217641 /nfs/dbraw/zinc/21/76/41/192217641.db2.gz NSNRHPDSNBAWAF-QWRGUYRKSA-N 2 1 200.326 1.223 20 0 BDADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420349919 192218230 /nfs/dbraw/zinc/21/82/30/192218230.db2.gz FEHLVHAMMIYQDV-AAEUAGOBSA-N 2 1 222.332 1.307 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420301361 192207966 /nfs/dbraw/zinc/20/79/66/192207966.db2.gz VPRPXPJPNVWZJN-OLZOCXBDSA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420301361 192207969 /nfs/dbraw/zinc/20/79/69/192207969.db2.gz VPRPXPJPNVWZJN-OLZOCXBDSA-N 2 1 226.364 1.759 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420305426 192208855 /nfs/dbraw/zinc/20/88/55/192208855.db2.gz KFTGTZBKEJZQPU-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000420305426 192208857 /nfs/dbraw/zinc/20/88/57/192208857.db2.gz KFTGTZBKEJZQPU-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000420313268 192212067 /nfs/dbraw/zinc/21/20/67/192212067.db2.gz PNBQXAYJQWHUSY-KGLIPLIRSA-N 3 1 239.407 1.450 20 0 BDADMP Nc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccn1 ZINC000420313444 192212332 /nfs/dbraw/zinc/21/23/32/192212332.db2.gz JYDBCIGGKASKJD-LBPRGKRZSA-N 2 1 234.347 1.197 20 0 BDADMP CC(C)COCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420367593 192225921 /nfs/dbraw/zinc/22/59/21/192225921.db2.gz MWELRSONBSNHCB-YNEHKIRRSA-N 2 1 228.380 1.635 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000420370097 192226815 /nfs/dbraw/zinc/22/68/15/192226815.db2.gz YLQCSTHTIRACMB-ZDUSSCGKSA-N 2 1 219.332 1.828 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000420370097 192226818 /nfs/dbraw/zinc/22/68/18/192226818.db2.gz YLQCSTHTIRACMB-ZDUSSCGKSA-N 2 1 219.332 1.828 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420371104 192227511 /nfs/dbraw/zinc/22/75/11/192227511.db2.gz ZMJZBMRIZOIJJV-NEPJUHHUSA-N 2 1 242.363 1.117 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420370263 192228310 /nfs/dbraw/zinc/22/83/10/192228310.db2.gz YVPGHGOQXCURCB-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326175 192229351 /nfs/dbraw/zinc/22/93/51/192229351.db2.gz JLCTZFUXQJJEJW-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000420324556 192229599 /nfs/dbraw/zinc/22/95/99/192229599.db2.gz ATYDFJYKJIFIDX-OCCSQVGLSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCN(CCC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000420324556 192229601 /nfs/dbraw/zinc/22/96/01/192229601.db2.gz ATYDFJYKJIFIDX-OCCSQVGLSA-N 2 1 239.407 1.435 20 0 BDADMP COCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327126 192229651 /nfs/dbraw/zinc/22/96/51/192229651.db2.gz DBQYADXXPAIYHO-OKILXGFUSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420372232 192230357 /nfs/dbraw/zinc/23/03/57/192230357.db2.gz QBPRNGVKBLSEFY-SYQHCUMBSA-N 3 1 239.407 1.352 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCc1ccncc1 ZINC000420358316 192219123 /nfs/dbraw/zinc/21/91/23/192219123.db2.gz IHJRHHGFSHGJAW-ZDUSSCGKSA-N 2 1 235.375 1.977 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)CN1C ZINC000420355358 192219493 /nfs/dbraw/zinc/21/94/93/192219493.db2.gz FJKTUBMIPYNYQN-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)OCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420356967 192219697 /nfs/dbraw/zinc/21/96/97/192219697.db2.gz DAELSVUNYOXPKQ-IJLUTSLNSA-N 2 1 214.353 1.388 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420357701 192219908 /nfs/dbraw/zinc/21/99/08/192219908.db2.gz SNYDHAWRCUZAIM-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420357701 192219910 /nfs/dbraw/zinc/21/99/10/192219910.db2.gz SNYDHAWRCUZAIM-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420357426 192220140 /nfs/dbraw/zinc/22/01/40/192220140.db2.gz HUBGMVVTZSHDON-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420357426 192220142 /nfs/dbraw/zinc/22/01/42/192220142.db2.gz HUBGMVVTZSHDON-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP NCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420360851 192221568 /nfs/dbraw/zinc/22/15/68/192221568.db2.gz MJQJIYWLLUHNSD-UHFFFAOYSA-N 2 1 239.407 1.533 20 0 BDADMP COCC[C@H]1CCCC[N@@H+](CCOCC[NH3+])C1 ZINC000420363718 192223845 /nfs/dbraw/zinc/22/38/45/192223845.db2.gz CCKUFGMSSKCHIX-CYBMUJFWSA-N 2 1 244.379 1.100 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CCC[NH2+]C)C[C@H]1C ZINC000420365687 192223857 /nfs/dbraw/zinc/22/38/57/192223857.db2.gz SOXMXINFNNPTTE-NEPJUHHUSA-N 2 1 213.369 1.010 20 0 BDADMP COCCCCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420367525 192225020 /nfs/dbraw/zinc/22/50/20/192225020.db2.gz SSTGEPIHFHWSCK-LLVKDONJSA-N 2 1 216.369 1.766 20 0 BDADMP CCC[C@@](C)([NH2+]CC[C@@H]1CC[NH2+]C1)C(=O)OC ZINC000420368234 192225359 /nfs/dbraw/zinc/22/53/59/192225359.db2.gz HUQMHBMAIYVYBR-WCQYABFASA-N 2 1 242.363 1.307 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000420397412 192236778 /nfs/dbraw/zinc/23/67/78/192236778.db2.gz GFDBZYZGJOXDAM-SECBINFHSA-N 2 1 211.284 1.481 20 0 BDADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000420393475 192237257 /nfs/dbraw/zinc/23/72/57/192237257.db2.gz CDPGFOXIUJUZOZ-HUUCEWRRSA-N 2 1 247.386 1.631 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000420420669 192240941 /nfs/dbraw/zinc/24/09/41/192240941.db2.gz YDJRAQPDFWDZLL-VXGBXAGGSA-N 2 1 244.342 1.870 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420378403 192232993 /nfs/dbraw/zinc/23/29/93/192232993.db2.gz UBWANCZCPXKLTB-OLZOCXBDSA-N 2 1 248.374 1.936 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CO)C1 ZINC000049474451 356458440 /nfs/dbraw/zinc/45/84/40/356458440.db2.gz GGLDSPQNIZVQTP-LBPRGKRZSA-N 2 1 214.353 1.033 20 0 BDADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@H](C)O ZINC000352223997 134110201 /nfs/dbraw/zinc/11/02/01/134110201.db2.gz YUZAIUJKZDMHMN-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H](C)O ZINC000352223997 134110202 /nfs/dbraw/zinc/11/02/02/134110202.db2.gz YUZAIUJKZDMHMN-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917130 192273516 /nfs/dbraw/zinc/27/35/16/192273516.db2.gz QPJJZVAFIALZDT-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917130 192273520 /nfs/dbraw/zinc/27/35/20/192273520.db2.gz QPJJZVAFIALZDT-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917130 192273522 /nfs/dbraw/zinc/27/35/22/192273522.db2.gz QPJJZVAFIALZDT-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000420914844 192271688 /nfs/dbraw/zinc/27/16/88/192271688.db2.gz KLTYXXKRYHDYIH-XBXGTLAGSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc[nH]c(=O)c1 ZINC000639623457 356542918 /nfs/dbraw/zinc/54/29/18/356542918.db2.gz PWVHNYNMTNIYLT-UHFFFAOYSA-N 2 1 249.358 1.705 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H]2CC[NH2+]C2)C[C@H]1OC ZINC000422942759 192511189 /nfs/dbraw/zinc/51/11/89/192511189.db2.gz PYVMAUMXSXSQDZ-QJPTWQEYSA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639676556 356585025 /nfs/dbraw/zinc/58/50/25/356585025.db2.gz UPAKVGMDDKCILW-UHFFFAOYSA-N 2 1 249.358 1.751 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000639671351 356587646 /nfs/dbraw/zinc/58/76/46/356587646.db2.gz QDHFKHORTNRLPY-NEPJUHHUSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000423017919 192541724 /nfs/dbraw/zinc/54/17/24/192541724.db2.gz PWDBAAFEYBHZCA-RKDXNWHRSA-N 2 1 227.739 1.950 20 0 BDADMP c1cc2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)nc2[nH]1 ZINC000423129518 192578904 /nfs/dbraw/zinc/57/89/04/192578904.db2.gz XETKEZHWEIGVLQ-GFCCVEGCSA-N 2 1 244.342 1.795 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC2CC2)C1 ZINC000639761476 356678697 /nfs/dbraw/zinc/67/86/97/356678697.db2.gz BLKYPLLZRFZPJX-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC2CC2)C1 ZINC000639761476 356678703 /nfs/dbraw/zinc/67/87/03/356678703.db2.gz BLKYPLLZRFZPJX-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763920 356689842 /nfs/dbraw/zinc/68/98/42/356689842.db2.gz TYRMJFDJQOMMOQ-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763920 356689845 /nfs/dbraw/zinc/68/98/45/356689845.db2.gz TYRMJFDJQOMMOQ-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000168122552 134156280 /nfs/dbraw/zinc/15/62/80/134156280.db2.gz MBCSGCSPYPEJHA-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000168122552 134156281 /nfs/dbraw/zinc/15/62/81/134156281.db2.gz MBCSGCSPYPEJHA-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130234162 325027620 /nfs/dbraw/zinc/02/76/20/325027620.db2.gz VAHAWEQVYJWPDO-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP C[NH+](C)C(C)(C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336830 356728754 /nfs/dbraw/zinc/72/87/54/356728754.db2.gz HQXJEUDXJRGNJT-LBPRGKRZSA-N 2 1 241.423 1.789 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1(C)C ZINC000623356314 356792306 /nfs/dbraw/zinc/79/23/06/356792306.db2.gz IJILCYJZVKTMAS-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC/C=C\C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423162932 192599452 /nfs/dbraw/zinc/59/94/52/192599452.db2.gz UYOSPZWQZBTIEQ-KVOUUQTQSA-N 2 1 238.375 1.699 20 0 BDADMP CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372509 356880737 /nfs/dbraw/zinc/88/07/37/356880737.db2.gz XIJPOIQKYSNDRP-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CC[C@@H](N[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623372509 356880739 /nfs/dbraw/zinc/88/07/39/356880739.db2.gz XIJPOIQKYSNDRP-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CC[C@@H](N[C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623372509 356880740 /nfs/dbraw/zinc/88/07/40/356880740.db2.gz XIJPOIQKYSNDRP-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372509 356880742 /nfs/dbraw/zinc/88/07/42/356880742.db2.gz XIJPOIQKYSNDRP-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372509 356880744 /nfs/dbraw/zinc/88/07/44/356880744.db2.gz XIJPOIQKYSNDRP-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372510 356881103 /nfs/dbraw/zinc/88/11/03/356881103.db2.gz XIJPOIQKYSNDRP-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623372510 356881106 /nfs/dbraw/zinc/88/11/06/356881106.db2.gz XIJPOIQKYSNDRP-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623372510 356881108 /nfs/dbraw/zinc/88/11/08/356881108.db2.gz XIJPOIQKYSNDRP-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372510 356881112 /nfs/dbraw/zinc/88/11/12/356881112.db2.gz XIJPOIQKYSNDRP-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372510 356881115 /nfs/dbraw/zinc/88/11/15/356881115.db2.gz XIJPOIQKYSNDRP-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1c[nH+]ccc1N ZINC000423175228 192608335 /nfs/dbraw/zinc/60/83/35/192608335.db2.gz DMDNEYUKYBMEOL-SDDRHHMPSA-N 2 1 249.358 1.696 20 0 BDADMP CC[NH+]1CCC([N@H+](CCOC)C2CC2)CC1 ZINC000361955628 356939558 /nfs/dbraw/zinc/93/95/58/356939558.db2.gz TVXLSBDVIGZPDF-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+](CCOC)C2CC2)CC1 ZINC000361955628 356939563 /nfs/dbraw/zinc/93/95/63/356939563.db2.gz TVXLSBDVIGZPDF-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP CCC(C)(C)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000261555728 535350703 /nfs/dbraw/zinc/35/07/03/535350703.db2.gz VEQFBESKUYVJJH-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP CCC(C)(C)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000261555728 535350706 /nfs/dbraw/zinc/35/07/06/535350706.db2.gz VEQFBESKUYVJJH-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNC1CC[NH+](CC)CC1 ZINC000019959680 356995569 /nfs/dbraw/zinc/99/55/69/356995569.db2.gz AGDCYDRBNLMGSA-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP Cc1cnc(C[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000582295540 357029065 /nfs/dbraw/zinc/02/90/65/357029065.db2.gz WXBIOZIHZXAFAG-JGVFFNPUSA-N 2 1 213.350 1.667 20 0 BDADMP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000582295311 357029141 /nfs/dbraw/zinc/02/91/41/357029141.db2.gz WBQVDPGBACOUTH-WCQYABFASA-N 2 1 225.380 1.106 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623395329 357018078 /nfs/dbraw/zinc/01/80/78/357018078.db2.gz HIXLYINVLLIUHI-ZDUSSCGKSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623395329 357018080 /nfs/dbraw/zinc/01/80/80/357018080.db2.gz HIXLYINVLLIUHI-ZDUSSCGKSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623395329 357018081 /nfs/dbraw/zinc/01/80/81/357018081.db2.gz HIXLYINVLLIUHI-ZDUSSCGKSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H]1CN(C[C@H](O)C[N@@H+](C)CC)CCS1 ZINC000390587754 357102420 /nfs/dbraw/zinc/10/24/20/357102420.db2.gz RJJOPLMHXPVDEI-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CC[C@@H](CSC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000390562819 357104964 /nfs/dbraw/zinc/10/49/64/357104964.db2.gz KWCNDXQQFRNKGK-JQWIXIFHSA-N 2 1 246.420 1.173 20 0 BDADMP CC[C@@H](CSC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000390562819 357104967 /nfs/dbraw/zinc/10/49/67/357104967.db2.gz KWCNDXQQFRNKGK-JQWIXIFHSA-N 2 1 246.420 1.173 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@H]1C ZINC000390683049 357113794 /nfs/dbraw/zinc/11/37/94/357113794.db2.gz YNHJMGMHDAILGA-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@H]1C ZINC000390683049 357113798 /nfs/dbraw/zinc/11/37/98/357113798.db2.gz YNHJMGMHDAILGA-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000390683049 357113802 /nfs/dbraw/zinc/11/38/02/357113802.db2.gz YNHJMGMHDAILGA-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000390683049 357113807 /nfs/dbraw/zinc/11/38/07/357113807.db2.gz YNHJMGMHDAILGA-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)C ZINC000390470821 357094649 /nfs/dbraw/zinc/09/46/49/357094649.db2.gz HEAGJKPFUNHHAD-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)C ZINC000390470821 357094652 /nfs/dbraw/zinc/09/46/52/357094652.db2.gz HEAGJKPFUNHHAD-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(C)C ZINC000390470821 357094654 /nfs/dbraw/zinc/09/46/54/357094654.db2.gz HEAGJKPFUNHHAD-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(C)C ZINC000390470821 357094660 /nfs/dbraw/zinc/09/46/60/357094660.db2.gz HEAGJKPFUNHHAD-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP CCC[NH+]1CCC([NH2+]C2(COC)CC2)CC1 ZINC000390498928 357097914 /nfs/dbraw/zinc/09/79/14/357097914.db2.gz TVADJOYHRYVEPQ-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000391161625 357124312 /nfs/dbraw/zinc/12/43/12/357124312.db2.gz NMDKRNZWYZHGJO-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000393754999 357296585 /nfs/dbraw/zinc/29/65/85/357296585.db2.gz HJWSUGLRYWSZNS-JHJVBQTASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000393754999 357296587 /nfs/dbraw/zinc/29/65/87/357296587.db2.gz HJWSUGLRYWSZNS-JHJVBQTASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000393754999 357296590 /nfs/dbraw/zinc/29/65/90/357296590.db2.gz HJWSUGLRYWSZNS-JHJVBQTASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000393754999 357296593 /nfs/dbraw/zinc/29/65/93/357296593.db2.gz HJWSUGLRYWSZNS-JHJVBQTASA-N 2 1 228.380 1.562 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230393035 357533427 /nfs/dbraw/zinc/53/34/27/357533427.db2.gz OTAHEXMYSBKCOO-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000230938887 357580744 /nfs/dbraw/zinc/58/07/44/357580744.db2.gz BOYUXWURCXSYDQ-NSHDSACASA-N 2 1 237.322 1.652 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000230938887 357580746 /nfs/dbraw/zinc/58/07/46/357580746.db2.gz BOYUXWURCXSYDQ-NSHDSACASA-N 2 1 237.322 1.652 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)O)CC1 ZINC000083727292 491112642 /nfs/dbraw/zinc/11/26/42/491112642.db2.gz IOFVJJGAHYEWEZ-SNVBAGLBSA-N 2 1 214.353 1.220 20 0 BDADMP CCC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000190245298 357697178 /nfs/dbraw/zinc/69/71/78/357697178.db2.gz KEZOTBZVQIVIKN-ZDUSSCGKSA-N 2 1 238.375 1.773 20 0 BDADMP CCC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000190245298 357697180 /nfs/dbraw/zinc/69/71/80/357697180.db2.gz KEZOTBZVQIVIKN-ZDUSSCGKSA-N 2 1 238.375 1.773 20 0 BDADMP CC1(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000381612028 357731936 /nfs/dbraw/zinc/73/19/36/357731936.db2.gz SQFZJYHCKLVXCC-CYBMUJFWSA-N 2 1 208.349 1.862 20 0 BDADMP CCOC[C@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000233772846 357746051 /nfs/dbraw/zinc/74/60/51/357746051.db2.gz OVVUQMMARLSURA-ZDUSSCGKSA-N 2 1 239.363 1.842 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@@H+]1CCOC(C)(C)C1 ZINC000192554348 357844558 /nfs/dbraw/zinc/84/45/58/357844558.db2.gz JDPPVOFKSOUWPL-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@H+]1CCOC(C)(C)C1 ZINC000192554348 357844559 /nfs/dbraw/zinc/84/45/59/357844559.db2.gz JDPPVOFKSOUWPL-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)COC2)CC1(C)C ZINC000623417089 357869753 /nfs/dbraw/zinc/86/97/53/357869753.db2.gz SGFHCAHIBDLLLV-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000193347560 357878508 /nfs/dbraw/zinc/87/85/08/357878508.db2.gz YQAAZWZEBVJQNX-JWURUJNWSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000583807826 357954874 /nfs/dbraw/zinc/95/48/74/357954874.db2.gz CRPSNSWLSHTVHL-QWRGUYRKSA-N 2 1 214.353 1.220 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000133407178 325293503 /nfs/dbraw/zinc/29/35/03/325293503.db2.gz IYRVQPZFDDFCSY-UTUOFQBUSA-N 2 1 214.353 1.341 20 0 BDADMP CCN(CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000217506184 134248710 /nfs/dbraw/zinc/24/87/10/134248710.db2.gz XGKPLESKBAKPOU-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC000169245587 134249874 /nfs/dbraw/zinc/24/98/74/134249874.db2.gz BMBHQQQCSRGEHT-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCOCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640015483 358068068 /nfs/dbraw/zinc/06/80/68/358068068.db2.gz KBMIHXUURGLDIC-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623420301 358160296 /nfs/dbraw/zinc/16/02/96/358160296.db2.gz XTTGOXQOMOOQHB-MNOVXSKESA-N 2 1 214.353 1.220 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000584839347 358199189 /nfs/dbraw/zinc/19/91/89/358199189.db2.gz ZNTCIOZATMXVLJ-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CSCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172423501 134266119 /nfs/dbraw/zinc/26/61/19/134266119.db2.gz UANZCZMNTHDVFZ-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000622017002 370664425 /nfs/dbraw/zinc/66/44/25/370664425.db2.gz XMGUMZSCXJHDAG-KOLCDFICSA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000622017002 370664432 /nfs/dbraw/zinc/66/44/32/370664432.db2.gz XMGUMZSCXJHDAG-KOLCDFICSA-N 2 1 248.317 1.076 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000228336624 358374070 /nfs/dbraw/zinc/37/40/70/358374070.db2.gz FBOFILPEWOWKMQ-MNOVXSKESA-N 2 1 235.331 1.407 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623426384 358397708 /nfs/dbraw/zinc/39/77/08/358397708.db2.gz LYFIUDHTDPBMDX-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000045107844 358401210 /nfs/dbraw/zinc/40/12/10/358401210.db2.gz KXKMGNGGPUYMPE-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000045107880 358401320 /nfs/dbraw/zinc/40/13/20/358401320.db2.gz RWXAJOXRDSUNDZ-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCOCC1 ZINC000174350349 134280834 /nfs/dbraw/zinc/28/08/34/134280834.db2.gz KWWBTRSEDQNIDA-LLVKDONJSA-N 2 1 237.347 1.596 20 0 BDADMP CC[C@@H](COC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623426875 358431132 /nfs/dbraw/zinc/43/11/32/358431132.db2.gz BXVNPNOZQOHANX-RYUDHWBXSA-N 2 1 228.380 1.874 20 0 BDADMP COCCOCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000175716354 134286976 /nfs/dbraw/zinc/28/69/76/134286976.db2.gz SPLNXKPOOZKIJG-CHWSQXEVSA-N 2 1 244.379 1.064 20 0 BDADMP COCCOCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000175716354 134286977 /nfs/dbraw/zinc/28/69/77/134286977.db2.gz SPLNXKPOOZKIJG-CHWSQXEVSA-N 2 1 244.379 1.064 20 0 BDADMP COCCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000175716354 134286978 /nfs/dbraw/zinc/28/69/78/134286978.db2.gz SPLNXKPOOZKIJG-CHWSQXEVSA-N 2 1 244.379 1.064 20 0 BDADMP C[NH2+]C[C@H]1CCCN1Cc1cc(OC)cc(C)[nH+]1 ZINC000214052368 358753308 /nfs/dbraw/zinc/75/33/08/358753308.db2.gz DPZKXPZOMKABDN-CYBMUJFWSA-N 2 1 249.358 1.582 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(O)CCC1 ZINC000133422278 358754736 /nfs/dbraw/zinc/75/47/36/358754736.db2.gz VNLVVVXPBOSUAR-GRYCIOLGSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134884664 358810203 /nfs/dbraw/zinc/81/02/03/358810203.db2.gz MBTYGOTXDJKUMA-DGCLKSJQSA-N 2 1 208.349 1.955 20 0 BDADMP CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134884664 358810206 /nfs/dbraw/zinc/81/02/06/358810206.db2.gz MBTYGOTXDJKUMA-DGCLKSJQSA-N 2 1 208.349 1.955 20 0 BDADMP CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134884664 358810210 /nfs/dbraw/zinc/81/02/10/358810210.db2.gz MBTYGOTXDJKUMA-DGCLKSJQSA-N 2 1 208.349 1.955 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCCC1 ZINC000052338861 358780293 /nfs/dbraw/zinc/78/02/93/358780293.db2.gz ZYEJYVCLNXIOLD-KBPBESRZSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]Cc1noc([C@H]2CCCCCC[C@H]2[NH3+])n1 ZINC000578236224 366465827 /nfs/dbraw/zinc/46/58/27/366465827.db2.gz DUCHZACCVCYBJX-DTWKUNHWSA-N 2 1 224.308 1.293 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432511 358943433 /nfs/dbraw/zinc/94/34/33/358943433.db2.gz VUACWTPHYDPQHS-OLZOCXBDSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000578338028 366528235 /nfs/dbraw/zinc/52/82/35/366528235.db2.gz ZQMQISAPNDTFBR-AGIUHOORSA-N 3 1 225.380 1.236 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000071293364 359075695 /nfs/dbraw/zinc/07/56/95/359075695.db2.gz SYSGWOZQOXAWER-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H](C)c2nccn2C)C1 ZINC000246411767 359079444 /nfs/dbraw/zinc/07/94/44/359079444.db2.gz RYQYEKXFZSZMLA-VXGBXAGGSA-N 2 1 236.363 1.413 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246429189 359083117 /nfs/dbraw/zinc/08/31/17/359083117.db2.gz NCJDXNFGOJJOGB-CHWSQXEVSA-N 2 1 228.380 1.589 20 0 BDADMP Cc1c[nH+]ccc1NCCC[NH+]1CCOCC1 ZINC000070489510 359057625 /nfs/dbraw/zinc/05/76/25/359057625.db2.gz CFUNROCPNJGDLM-UHFFFAOYSA-N 2 1 235.331 1.524 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246567727 359148068 /nfs/dbraw/zinc/14/80/68/359148068.db2.gz XSDMVWLOTYMMDP-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246867364 359171122 /nfs/dbraw/zinc/17/11/22/359171122.db2.gz DFNMTJGADDDDHP-AGIUHOORSA-N 2 1 228.380 1.731 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000247186338 359199801 /nfs/dbraw/zinc/19/98/01/359199801.db2.gz VMTVFTDPBUCSTM-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000247314119 359211287 /nfs/dbraw/zinc/21/12/87/359211287.db2.gz RJNWOJLUENXGSN-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000247314119 359211288 /nfs/dbraw/zinc/21/12/88/359211288.db2.gz RJNWOJLUENXGSN-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000247314119 359211290 /nfs/dbraw/zinc/21/12/90/359211290.db2.gz RJNWOJLUENXGSN-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623451330 359345459 /nfs/dbraw/zinc/34/54/59/359345459.db2.gz SZSHGNXFUIHFAT-VXGBXAGGSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623451327 359345525 /nfs/dbraw/zinc/34/55/25/359345525.db2.gz SZSHGNXFUIHFAT-NEPJUHHUSA-N 2 1 228.380 1.610 20 0 BDADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000423444076 192771655 /nfs/dbraw/zinc/77/16/55/192771655.db2.gz WJMHGWHEMUNDIY-SVDPJWKOSA-N 2 1 222.357 1.925 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccsc1 ZINC000423444007 192771891 /nfs/dbraw/zinc/77/18/91/192771891.db2.gz WCYRAGJRWOFINT-SNXWAXQRSA-N 2 1 208.330 1.617 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000423498391 192795257 /nfs/dbraw/zinc/79/52/57/192795257.db2.gz BRUVPHDPHSZMDD-YNEHKIRRSA-N 2 1 243.370 1.008 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)CC ZINC000379540861 359539884 /nfs/dbraw/zinc/53/98/84/359539884.db2.gz PHPGTKSGXMCGDJ-GHMZBOCLSA-N 2 1 202.342 1.029 20 0 BDADMP CC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000379540861 359539888 /nfs/dbraw/zinc/53/98/88/359539888.db2.gz PHPGTKSGXMCGDJ-GHMZBOCLSA-N 2 1 202.342 1.029 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000379540861 359539891 /nfs/dbraw/zinc/53/98/91/359539891.db2.gz PHPGTKSGXMCGDJ-GHMZBOCLSA-N 2 1 202.342 1.029 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C(C)(C)C ZINC000399537145 359649598 /nfs/dbraw/zinc/64/95/98/359649598.db2.gz XCYXGIUMRDSOJM-QWHCGFSZSA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C(C)(C)C ZINC000399537145 359649603 /nfs/dbraw/zinc/64/96/03/359649603.db2.gz XCYXGIUMRDSOJM-QWHCGFSZSA-N 2 1 244.423 1.913 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399537145 359649609 /nfs/dbraw/zinc/64/96/09/359649609.db2.gz XCYXGIUMRDSOJM-QWHCGFSZSA-N 2 1 244.423 1.913 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000399537145 359649612 /nfs/dbraw/zinc/64/96/12/359649612.db2.gz XCYXGIUMRDSOJM-QWHCGFSZSA-N 2 1 244.423 1.913 20 0 BDADMP Cc1cnn(C)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000352257782 366553656 /nfs/dbraw/zinc/55/36/56/366553656.db2.gz XQFARPMLXGXTBI-UHFFFAOYSA-N 2 1 236.363 1.304 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000087409477 359910953 /nfs/dbraw/zinc/91/09/53/359910953.db2.gz GCCQTHBAHCJZHL-QWRGUYRKSA-N 2 1 238.379 1.719 20 0 BDADMP OCCC[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000087647867 359922362 /nfs/dbraw/zinc/92/23/62/359922362.db2.gz OYPBKJNZCRWFPE-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C[C@H](C)O1 ZINC000578723022 366631161 /nfs/dbraw/zinc/63/11/61/366631161.db2.gz WLNAHEQUKJWHOE-UVLXDEKHSA-N 2 1 240.391 1.872 20 0 BDADMP CCc1cc(N2CCC([C@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000088759727 359977338 /nfs/dbraw/zinc/97/73/38/359977338.db2.gz ZXZZRXIVKSFJOG-JTQLQIEISA-N 2 1 248.374 1.911 20 0 BDADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+](C)C ZINC000093496205 360251298 /nfs/dbraw/zinc/25/12/98/360251298.db2.gz SBRVSTGQLOILII-UONOGXRCSA-N 3 1 241.423 1.839 20 0 BDADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874177 360286231 /nfs/dbraw/zinc/28/62/31/360286231.db2.gz MEYSHTBCAXTLDL-QWRGUYRKSA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874177 360286232 /nfs/dbraw/zinc/28/62/32/360286232.db2.gz MEYSHTBCAXTLDL-QWRGUYRKSA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874174 360286370 /nfs/dbraw/zinc/28/63/70/360286370.db2.gz MEYSHTBCAXTLDL-GHMZBOCLSA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874174 360286371 /nfs/dbraw/zinc/28/63/71/360286371.db2.gz MEYSHTBCAXTLDL-GHMZBOCLSA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874176 360286407 /nfs/dbraw/zinc/28/64/07/360286407.db2.gz MEYSHTBCAXTLDL-MNOVXSKESA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874176 360286408 /nfs/dbraw/zinc/28/64/08/360286408.db2.gz MEYSHTBCAXTLDL-MNOVXSKESA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@H](C)[C@H]([NH2+]CC1CC[NH2+]CC1)C(=O)OC ZINC000094010052 360294190 /nfs/dbraw/zinc/29/41/90/360294190.db2.gz NXHHPZKDGJLYBC-JQWIXIFHSA-N 2 1 242.363 1.163 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000094722679 360316335 /nfs/dbraw/zinc/31/63/35/360316335.db2.gz XTEDWMXYUTYEFX-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000156258998 360959338 /nfs/dbraw/zinc/95/93/38/360959338.db2.gz YYFYXFAXAUQNSB-TUAOUCFPSA-N 2 1 213.369 1.009 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(C)COC2)CC[N@H+]1C ZINC000156307949 360962871 /nfs/dbraw/zinc/96/28/71/360962871.db2.gz IHBDRLDVNRTTAW-QWRGUYRKSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407429 361055490 /nfs/dbraw/zinc/05/54/90/361055490.db2.gz ZXUWGLUARPDQTI-NTZNESFSSA-N 2 1 222.332 1.941 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)n1 ZINC000629407479 361055820 /nfs/dbraw/zinc/05/58/20/361055820.db2.gz BCMSSDRQAANRSR-NTZNESFSSA-N 2 1 249.358 1.361 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629409400 361057743 /nfs/dbraw/zinc/05/77/43/361057743.db2.gz APKZKOBJJKULRD-BZPMIXESSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000629512531 361107221 /nfs/dbraw/zinc/10/72/21/361107221.db2.gz CRHBWPWWLQCXIE-VXGBXAGGSA-N 2 1 225.380 1.378 20 0 BDADMP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OCC ZINC000629514991 361112100 /nfs/dbraw/zinc/11/21/00/361112100.db2.gz OIFTUPGVMQFOHJ-YNEHKIRRSA-N 2 1 228.380 1.922 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C1(C)C ZINC000629526302 361128285 /nfs/dbraw/zinc/12/82/85/361128285.db2.gz PHZOTCWSCRLMLC-QNWHQSFQSA-N 2 1 240.391 1.920 20 0 BDADMP C[NH2+]CCOCC[NH2+][C@H](C)c1cscn1 ZINC000629530068 361147755 /nfs/dbraw/zinc/14/77/55/361147755.db2.gz UJXCYAISELUHAI-SECBINFHSA-N 2 1 229.349 1.030 20 0 BDADMP CCO[C@@H](C[N@H+](C)[C@H](CN)C1CC1)C1CC1 ZINC000629532049 361150030 /nfs/dbraw/zinc/15/00/30/361150030.db2.gz JLMVABYKSKQOGN-OLZOCXBDSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@@H](C[N@@H+](C)[C@H](CN)C1CC1)C1CC1 ZINC000629532049 361150035 /nfs/dbraw/zinc/15/00/35/361150035.db2.gz JLMVABYKSKQOGN-OLZOCXBDSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)C1CC1 ZINC000629532049 361150040 /nfs/dbraw/zinc/15/00/40/361150040.db2.gz JLMVABYKSKQOGN-OLZOCXBDSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)C1CC1 ZINC000629532049 361150043 /nfs/dbraw/zinc/15/00/43/361150043.db2.gz JLMVABYKSKQOGN-OLZOCXBDSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@@H](C[N@H+](C)C1(C[NH3+])CCC1)C1CC1 ZINC000629533376 361160437 /nfs/dbraw/zinc/16/04/37/361160437.db2.gz XBMMOSADAYRDHA-LBPRGKRZSA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@@H](C[N@@H+](C)C1(C[NH3+])CCC1)C1CC1 ZINC000629533376 361160441 /nfs/dbraw/zinc/16/04/41/361160441.db2.gz XBMMOSADAYRDHA-LBPRGKRZSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000629526147 361126917 /nfs/dbraw/zinc/12/69/17/361126917.db2.gz LQBOZUYVGBGXHT-XDQVBPFNSA-N 2 1 239.407 1.447 20 0 BDADMP COCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530767 361302046 /nfs/dbraw/zinc/30/20/46/361302046.db2.gz CRSJMDNUFFRGCX-UHFFFAOYSA-N 2 1 228.380 1.831 20 0 BDADMP Cc1nccnc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622044477 370677034 /nfs/dbraw/zinc/67/70/34/370677034.db2.gz HPJYXAWOXDFHDI-DTWKUNHWSA-N 2 1 208.309 1.173 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622044478 370677224 /nfs/dbraw/zinc/67/72/24/370677224.db2.gz HPJYXAWOXDFHDI-IUCAKERBSA-N 2 1 208.309 1.173 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000579353402 366767012 /nfs/dbraw/zinc/76/70/12/366767012.db2.gz AXKJBCSZWLLIHJ-QWRGUYRKSA-N 2 1 246.358 1.789 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629536604 361400082 /nfs/dbraw/zinc/40/00/82/361400082.db2.gz GXORDDOVJPQRLG-YNEHKIRRSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@@H]([NH2+]CCOCCC[NH3+])c1cscn1 ZINC000629540509 361414110 /nfs/dbraw/zinc/41/41/10/361414110.db2.gz VHPOLYWZCCTLSO-SECBINFHSA-N 2 1 229.349 1.159 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000629540992 361415548 /nfs/dbraw/zinc/41/55/48/361415548.db2.gz ZLGGRXFZBWPOFW-DGAVXFQQSA-N 3 1 239.407 1.447 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCC2 ZINC000629553550 361438484 /nfs/dbraw/zinc/43/84/84/361438484.db2.gz XUVFNLYPMKQYQT-WOPDTQHZSA-N 2 1 224.348 1.286 20 0 BDADMP CCO[C@@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C1CC1 ZINC000629550640 361442616 /nfs/dbraw/zinc/44/26/16/361442616.db2.gz OPKNQRVGGMEMEO-YDGIUTOCSA-N 2 1 224.348 1.225 20 0 BDADMP CCO[C@@H](C[N@H+]1CC2CC1(C[NH3+])C2)C1CC1 ZINC000629550640 361442620 /nfs/dbraw/zinc/44/26/20/361442620.db2.gz OPKNQRVGGMEMEO-YDGIUTOCSA-N 2 1 224.348 1.225 20 0 BDADMP C[N@H+](CCOCC[NH3+])Cc1cccc(F)c1F ZINC000629578778 361464423 /nfs/dbraw/zinc/46/44/23/361464423.db2.gz GCQJXNUMDYPDKX-UHFFFAOYSA-N 2 1 244.285 1.372 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(F)c1F ZINC000629578778 361464425 /nfs/dbraw/zinc/46/44/25/361464425.db2.gz GCQJXNUMDYPDKX-UHFFFAOYSA-N 2 1 244.285 1.372 20 0 BDADMP Cc1cccc([C@@H](C)[N@@H+](C)CCOCC[NH3+])c1 ZINC000629579908 361466261 /nfs/dbraw/zinc/46/62/61/361466261.db2.gz YAHYFZLJVXKNGL-CYBMUJFWSA-N 2 1 236.359 1.963 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CC1CCCCCC1 ZINC000629577111 361467460 /nfs/dbraw/zinc/46/74/60/361467460.db2.gz FADVDULVZPLVDI-UHFFFAOYSA-N 2 1 228.380 1.864 20 0 BDADMP CCc1cccc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000629577816 361467998 /nfs/dbraw/zinc/46/79/98/361467998.db2.gz JTMWQYTVBUFYRH-UHFFFAOYSA-N 2 1 236.359 1.656 20 0 BDADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000629581077 361471602 /nfs/dbraw/zinc/47/16/02/361471602.db2.gz MGUNGCHMMHSQPF-QWHCGFSZSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC[C@@H]1CCCO1)C2 ZINC000629596347 361483720 /nfs/dbraw/zinc/48/37/20/361483720.db2.gz XAJVSPUORZTSRE-MELADBBJSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000629647017 361535757 /nfs/dbraw/zinc/53/57/57/361535757.db2.gz JHNJPXGLFFIOIC-CMPLNLGQSA-N 2 1 210.321 1.002 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000629647230 361536316 /nfs/dbraw/zinc/53/63/16/361536316.db2.gz NONKBFWHJWHQJY-BFHYXJOUSA-N 2 1 233.359 1.584 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CC1(OC)CCCC1 ZINC000629654906 361558723 /nfs/dbraw/zinc/55/87/23/361558723.db2.gz UIKZEXDJTKOGRB-NWDGAFQWSA-N 2 1 226.364 1.676 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000629654546 361558871 /nfs/dbraw/zinc/55/88/71/361558871.db2.gz QYTROBZBHXHMHV-ZDUSSCGKSA-N 2 1 221.348 1.728 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648482 361540718 /nfs/dbraw/zinc/54/07/18/361540718.db2.gz PCWWUCKCESPWID-DGCLKSJQSA-N 2 1 221.348 1.442 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629649067 361543028 /nfs/dbraw/zinc/54/30/28/361543028.db2.gz GXLPBIGNXFUVDZ-WCQYABFASA-N 2 1 219.332 1.620 20 0 BDADMP Cn1ccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000629649462 361544594 /nfs/dbraw/zinc/54/45/94/361544594.db2.gz BNVCEDKQFWWGJC-UHFFFAOYSA-N 2 1 207.321 1.386 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CC1=CCCOC1)C2 ZINC000629649841 361545810 /nfs/dbraw/zinc/54/58/10/361545810.db2.gz HYLDUKPWKQVKHZ-STQMWFEESA-N 2 1 222.332 1.146 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC1=CCCOC1)C2 ZINC000629649841 361545815 /nfs/dbraw/zinc/54/58/15/361545815.db2.gz HYLDUKPWKQVKHZ-STQMWFEESA-N 2 1 222.332 1.146 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629652015 361549499 /nfs/dbraw/zinc/54/94/99/361549499.db2.gz SMRINGNBAKYAMF-AAEUAGOBSA-N 2 1 221.348 1.584 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@@H]1[NH3+] ZINC000629652198 361549536 /nfs/dbraw/zinc/54/95/36/361549536.db2.gz XSIAAQMVYWYOBQ-STQMWFEESA-N 2 1 221.348 1.584 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000629652670 361551184 /nfs/dbraw/zinc/55/11/84/361551184.db2.gz BWNQORUICKRRMX-KGLIPLIRSA-N 2 1 242.407 1.981 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651131 361556027 /nfs/dbraw/zinc/55/60/27/361556027.db2.gz AJUVKVPAGQGXPG-GFCCVEGCSA-N 2 1 244.338 1.743 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629651917 361557378 /nfs/dbraw/zinc/55/73/78/361557378.db2.gz OWBJRBUAMQXYDS-GFCCVEGCSA-N 2 1 221.348 1.457 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000448549072 201215224 /nfs/dbraw/zinc/21/52/24/201215224.db2.gz NRIPULNJIKQZBW-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000448549072 201215227 /nfs/dbraw/zinc/21/52/27/201215227.db2.gz NRIPULNJIKQZBW-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCCO ZINC000310005421 491159075 /nfs/dbraw/zinc/15/90/75/491159075.db2.gz GKVYDXBPLBSHNS-OLZOCXBDSA-N 2 1 230.396 1.857 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCCO ZINC000310005421 491159076 /nfs/dbraw/zinc/15/90/76/491159076.db2.gz GKVYDXBPLBSHNS-OLZOCXBDSA-N 2 1 230.396 1.857 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C1(C)CC1 ZINC000153778937 201247907 /nfs/dbraw/zinc/24/79/07/201247907.db2.gz JHXHUMXPLZSQFE-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000309978842 491159237 /nfs/dbraw/zinc/15/92/37/491159237.db2.gz VGKXQSOYJNQDFK-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CCC[NH2+]C)C[C@@H]1C ZINC000435878645 201291609 /nfs/dbraw/zinc/29/16/09/201291609.db2.gz DVKJYTYKYXNACJ-STQMWFEESA-N 2 1 227.396 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CCC[NH2+]C)[C@@H](C)C1 ZINC000435881907 201296417 /nfs/dbraw/zinc/29/64/17/201296417.db2.gz WNMPXXJPTYCTDH-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC[NH2+]C)C1(C)C ZINC000435876918 201294067 /nfs/dbraw/zinc/29/40/67/201294067.db2.gz LOSVMFJMGOLOGQ-VXGBXAGGSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@@H](C[NH2+]CC[C@H]1CCOC1)[NH+]1CCCC1 ZINC000438075689 201385705 /nfs/dbraw/zinc/38/57/05/201385705.db2.gz GCYVNCGTZGGKOU-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP O=c1[nH]cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623777753 363891275 /nfs/dbraw/zinc/89/12/75/363891275.db2.gz PTLZUADNEAWOOQ-QWHCGFSZSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1[nH]cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623777753 363891282 /nfs/dbraw/zinc/89/12/82/363891282.db2.gz PTLZUADNEAWOOQ-QWHCGFSZSA-N 2 1 247.342 1.504 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(N)=[NH2+] ZINC000630387433 364102158 /nfs/dbraw/zinc/10/21/58/364102158.db2.gz PFNHCASMYODGPN-AAEUAGOBSA-N 2 1 246.358 1.238 20 0 BDADMP C[NH+](C)CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264363 541337686 /nfs/dbraw/zinc/33/76/86/541337686.db2.gz IULTUBUVXPGTJK-UHFFFAOYSA-N 2 1 235.331 1.381 20 0 BDADMP Cc1cc(NCCOCC[NH+](C)C)nc(C)[nH+]1 ZINC000232180150 541347053 /nfs/dbraw/zinc/34/70/53/541347053.db2.gz WGDXADNIDBGSAZ-UHFFFAOYSA-N 2 1 238.335 1.084 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC[C@H]2C)C[NH2+]1 ZINC000398994713 364666401 /nfs/dbraw/zinc/66/64/01/364666401.db2.gz NYJFYALVTUUGMT-WYUUTHIRSA-N 2 1 212.337 1.142 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248144367 364627219 /nfs/dbraw/zinc/62/72/19/364627219.db2.gz PXYPDKUOEUJQEL-GRYCIOLGSA-N 2 1 214.353 1.076 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399034812 364737091 /nfs/dbraw/zinc/73/70/91/364737091.db2.gz OAHIQJICFPGSMV-GHMZBOCLSA-N 2 1 214.353 1.389 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000573315696 364795751 /nfs/dbraw/zinc/79/57/51/364795751.db2.gz SGHSHNBSTSLWTF-VXGBXAGGSA-N 3 1 213.369 1.093 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000573914374 364943675 /nfs/dbraw/zinc/94/36/75/364943675.db2.gz ZUUZRLAKCDFDRH-BFHYXJOUSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H](C[NH3+])N(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000574037946 364971942 /nfs/dbraw/zinc/97/19/42/364971942.db2.gz OCKWOSWEDPTUHX-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000036128722 181380985 /nfs/dbraw/zinc/38/09/85/181380985.db2.gz NSFZAYGAVQVCNV-GFCCVEGCSA-N 2 1 205.305 1.567 20 0 BDADMP CCCC[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000442970328 193008298 /nfs/dbraw/zinc/00/82/98/193008298.db2.gz SVMZILCILWXQMU-SECBINFHSA-N 2 1 238.335 1.988 20 0 BDADMP COCCCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058505 193012146 /nfs/dbraw/zinc/01/21/46/193012146.db2.gz KOVJLYCVFIXHJW-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)CC ZINC000379884320 365336412 /nfs/dbraw/zinc/33/64/12/365336412.db2.gz XJGAIUWSGRQMME-LLVKDONJSA-N 2 1 216.369 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)CC ZINC000379884320 365336415 /nfs/dbraw/zinc/33/64/15/365336415.db2.gz XJGAIUWSGRQMME-LLVKDONJSA-N 2 1 216.369 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)CC ZINC000379884320 365336419 /nfs/dbraw/zinc/33/64/19/365336419.db2.gz XJGAIUWSGRQMME-LLVKDONJSA-N 2 1 216.369 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)CC ZINC000379884320 365336428 /nfs/dbraw/zinc/33/64/28/365336428.db2.gz XJGAIUWSGRQMME-LLVKDONJSA-N 2 1 216.369 1.419 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887644 370849774 /nfs/dbraw/zinc/84/97/74/370849774.db2.gz SUFVXAZAYJQVNX-OCCSQVGLSA-N 2 1 249.358 1.865 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887644 370849781 /nfs/dbraw/zinc/84/97/81/370849781.db2.gz SUFVXAZAYJQVNX-OCCSQVGLSA-N 2 1 249.358 1.865 20 0 BDADMP CC[C@]1(C)CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000580897309 367202067 /nfs/dbraw/zinc/20/20/67/367202067.db2.gz KRYSHKHBYINUHI-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132216 367272261 /nfs/dbraw/zinc/27/22/61/367272261.db2.gz DGGZHVPVMOWURG-SWLSCSKDSA-N 3 1 247.386 1.575 20 0 BDADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132216 367272265 /nfs/dbraw/zinc/27/22/65/367272265.db2.gz DGGZHVPVMOWURG-SWLSCSKDSA-N 2 1 247.386 1.575 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H]2OCC)CC1 ZINC000381336799 367382417 /nfs/dbraw/zinc/38/24/17/367382417.db2.gz WADUHPIODOAILE-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cccc(-n2cccn2)c1 ZINC000382055306 367483097 /nfs/dbraw/zinc/48/30/97/367483097.db2.gz GZFAVLFPWLZQBB-UHFFFAOYSA-N 2 1 244.342 1.653 20 0 BDADMP c1cc2c(c(C[NH2+]CCC[NH2+]C3CC3)c1)OCO2 ZINC000382529799 367533771 /nfs/dbraw/zinc/53/37/71/367533771.db2.gz GCNVGUWWIMISKV-UHFFFAOYSA-N 2 1 248.326 1.647 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCCC[NH2+]C1CC1 ZINC000382562846 367540842 /nfs/dbraw/zinc/54/08/42/367540842.db2.gz YRDKYXFCCKRFGY-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562846 367540847 /nfs/dbraw/zinc/54/08/47/367540847.db2.gz YRDKYXFCCKRFGY-WCQYABFASA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562846 367540852 /nfs/dbraw/zinc/54/08/52/367540852.db2.gz YRDKYXFCCKRFGY-WCQYABFASA-N 3 1 225.380 1.058 20 0 BDADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000382827198 367562275 /nfs/dbraw/zinc/56/22/75/367562275.db2.gz FGTGTFJQEAYGPV-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnccn2)C1 ZINC000581474389 367506636 /nfs/dbraw/zinc/50/66/36/367506636.db2.gz FNHJIGSKTUTEOG-JSGCOSHPSA-N 2 1 246.358 1.393 20 0 BDADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnccn2)C1 ZINC000581474389 367506637 /nfs/dbraw/zinc/50/66/37/367506637.db2.gz FNHJIGSKTUTEOG-JSGCOSHPSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnccn2)C1 ZINC000581474389 367506639 /nfs/dbraw/zinc/50/66/39/367506639.db2.gz FNHJIGSKTUTEOG-JSGCOSHPSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnccn2)C1 ZINC000581474389 367506640 /nfs/dbraw/zinc/50/66/40/367506640.db2.gz FNHJIGSKTUTEOG-JSGCOSHPSA-N 2 1 246.358 1.393 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581618009 367638242 /nfs/dbraw/zinc/63/82/42/367638242.db2.gz NCALMWHPFIDRAE-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP CCCCN(C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581618009 367638247 /nfs/dbraw/zinc/63/82/47/367638247.db2.gz NCALMWHPFIDRAE-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000581613089 367634348 /nfs/dbraw/zinc/63/43/48/367634348.db2.gz QZUZEFKHISEELV-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000383798362 367654613 /nfs/dbraw/zinc/65/46/13/367654613.db2.gz SIHVWUUUMVXDDM-WCQYABFASA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000383798362 367654619 /nfs/dbraw/zinc/65/46/19/367654619.db2.gz SIHVWUUUMVXDDM-WCQYABFASA-N 2 1 240.391 1.610 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000384490360 367693343 /nfs/dbraw/zinc/69/33/43/367693343.db2.gz SVGCAOWYGQTURM-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000384545343 367699155 /nfs/dbraw/zinc/69/91/55/367699155.db2.gz HJMHFVRBNOCQAI-AAVRWANBSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000384728014 367722475 /nfs/dbraw/zinc/72/24/75/367722475.db2.gz ITVWMNZSRZONAY-GRYCIOLGSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000384728014 367722482 /nfs/dbraw/zinc/72/24/82/367722482.db2.gz ITVWMNZSRZONAY-GRYCIOLGSA-N 2 1 228.380 1.608 20 0 BDADMP Cc1ncsc1CC[N@H+](C)C1CC([NH3+])C1 ZINC000384894945 367753437 /nfs/dbraw/zinc/75/34/37/367753437.db2.gz UZWIYITZEIQYQH-UHFFFAOYSA-N 2 1 225.361 1.416 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384925801 367758817 /nfs/dbraw/zinc/75/88/17/367758817.db2.gz PRTFOQPPMZWRKC-FRRDWIJNSA-N 2 1 228.380 1.872 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccncc2C)C1 ZINC000385035288 367777914 /nfs/dbraw/zinc/77/79/14/367777914.db2.gz LZSAOXNISRFGLX-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccncc2C)C1 ZINC000385035288 367777922 /nfs/dbraw/zinc/77/79/22/367777922.db2.gz LZSAOXNISRFGLX-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP CCSCC[N@H+](C)C1(C[NH3+])CCC1 ZINC000385109787 367793958 /nfs/dbraw/zinc/79/39/58/367793958.db2.gz COOOAZMFGRQZQL-UHFFFAOYSA-N 2 1 202.367 1.553 20 0 BDADMP CCSCC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385109787 367793967 /nfs/dbraw/zinc/79/39/67/367793967.db2.gz COOOAZMFGRQZQL-UHFFFAOYSA-N 2 1 202.367 1.553 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000385270119 367814875 /nfs/dbraw/zinc/81/48/75/367814875.db2.gz XDANEMNHIXUPFB-RISCZKNCSA-N 2 1 247.342 1.192 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888557 370896015 /nfs/dbraw/zinc/89/60/15/370896015.db2.gz XFQPJSWUBBOUGQ-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888557 370896018 /nfs/dbraw/zinc/89/60/18/370896018.db2.gz XFQPJSWUBBOUGQ-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CCn1ccnc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000385423313 367827796 /nfs/dbraw/zinc/82/77/96/367827796.db2.gz BORKLSJUNRIBRI-QWRGUYRKSA-N 2 1 222.336 1.263 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000386012159 367897848 /nfs/dbraw/zinc/89/78/48/367897848.db2.gz MVKMNGJPNPTNDX-JSGCOSHPSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386451795 367975505 /nfs/dbraw/zinc/97/55/05/367975505.db2.gz OBZUTOYEMXCVDE-KBPBESRZSA-N 2 1 241.423 1.837 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386483532 367980833 /nfs/dbraw/zinc/98/08/33/367980833.db2.gz SNGPCMRPTCYFTE-ZIAGYGMSSA-N 2 1 241.423 1.839 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H](C)O ZINC000386678616 368009745 /nfs/dbraw/zinc/00/97/45/368009745.db2.gz HSZROMDTHHYRNA-ZYHUDNBSSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000253180065 368591071 /nfs/dbraw/zinc/59/10/71/368591071.db2.gz DGHGXRJPSCUGGR-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000253192739 368612655 /nfs/dbraw/zinc/61/26/55/368612655.db2.gz NRFDRRRMWYNWEA-DGCLKSJQSA-N 2 1 249.358 1.507 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000253192739 368612657 /nfs/dbraw/zinc/61/26/57/368612657.db2.gz NRFDRRRMWYNWEA-DGCLKSJQSA-N 2 1 249.358 1.507 20 0 BDADMP Cc1ccc([C@@H](CNC(N)=[NH2+])[NH+]2CCCC2)o1 ZINC000066246472 368642337 /nfs/dbraw/zinc/64/23/37/368642337.db2.gz YUPUNKKQUAVJDH-SNVBAGLBSA-N 2 1 236.319 1.208 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656964 368997708 /nfs/dbraw/zinc/99/77/08/368997708.db2.gz GZCQFSISQPKPLW-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP COC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656966 368997812 /nfs/dbraw/zinc/99/78/12/368997812.db2.gz GZCQFSISQPKPLW-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830130 369007123 /nfs/dbraw/zinc/00/71/23/369007123.db2.gz KUCAIUNIYUAUTO-RFQIPJPRSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000623655064 368990653 /nfs/dbraw/zinc/99/06/53/368990653.db2.gz NONLNEGIPHYXAJ-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000623655064 368990657 /nfs/dbraw/zinc/99/06/57/368990657.db2.gz NONLNEGIPHYXAJ-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000623654609 368990689 /nfs/dbraw/zinc/99/06/89/368990689.db2.gz DMUXUBGUZYENGO-AWEZNQCLSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000623654609 368990694 /nfs/dbraw/zinc/99/06/94/368990694.db2.gz DMUXUBGUZYENGO-AWEZNQCLSA-N 2 1 233.359 1.903 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631837768 369101519 /nfs/dbraw/zinc/10/15/19/369101519.db2.gz WRMIZCRVWIEOLT-IJLUTSLNSA-N 2 1 212.337 1.082 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](C)O)C[C@@H]1C ZINC000459356911 203268697 /nfs/dbraw/zinc/26/86/97/203268697.db2.gz LNZMECABCNOBID-QJPTWQEYSA-N 2 1 214.353 1.172 20 0 BDADMP CCC[C@]1([NH2+]CCc2c[nH+]cn2C)CCOC1 ZINC000459474369 203288557 /nfs/dbraw/zinc/28/85/57/203288557.db2.gz XMQCTWAJDLAFDM-ZDUSSCGKSA-N 2 1 237.347 1.511 20 0 BDADMP COc1ccc(C)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107574764 369353870 /nfs/dbraw/zinc/35/38/70/369353870.db2.gz OSAMWSFAFKVSKY-KBPBESRZSA-N 2 1 246.354 1.655 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCOC1 ZINC000567747896 326254484 /nfs/dbraw/zinc/25/44/84/326254484.db2.gz CYCHZDQWWWQSMV-GFCCVEGCSA-N 2 1 223.320 1.073 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCOC1 ZINC000567747896 326254485 /nfs/dbraw/zinc/25/44/85/326254485.db2.gz CYCHZDQWWWQSMV-GFCCVEGCSA-N 2 1 223.320 1.073 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000459630794 203322980 /nfs/dbraw/zinc/32/29/80/203322980.db2.gz JAHBVNPYXCGZLS-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000388098573 369452297 /nfs/dbraw/zinc/45/22/97/369452297.db2.gz WVDAOKFYGIWJSA-MDZLAQPJSA-N 2 1 226.364 1.077 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000388098573 369452300 /nfs/dbraw/zinc/45/23/00/369452300.db2.gz WVDAOKFYGIWJSA-MDZLAQPJSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459724943 203342806 /nfs/dbraw/zinc/34/28/06/203342806.db2.gz FJASZJHSBOYESI-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000165327400 203382667 /nfs/dbraw/zinc/38/26/67/203382667.db2.gz LHBHRESAHWALFA-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP FC(F)COCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889761 370990817 /nfs/dbraw/zinc/99/08/17/370990817.db2.gz MEMBZAYGCYDVTQ-QWRGUYRKSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)COCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889761 370990819 /nfs/dbraw/zinc/99/08/19/370990819.db2.gz MEMBZAYGCYDVTQ-QWRGUYRKSA-N 2 1 248.317 1.342 20 0 BDADMP CCO[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000631862912 369581528 /nfs/dbraw/zinc/58/15/28/369581528.db2.gz VNEIHCZULFREHU-MVWJERBFSA-N 2 1 212.337 1.223 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000631862912 369581534 /nfs/dbraw/zinc/58/15/34/369581534.db2.gz VNEIHCZULFREHU-MVWJERBFSA-N 2 1 212.337 1.223 20 0 BDADMP CCn1cc(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000631866888 370184195 /nfs/dbraw/zinc/18/41/95/370184195.db2.gz BMOSXCAFVKYVTE-KGLIPLIRSA-N 2 1 248.374 1.177 20 0 BDADMP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCCCO1 ZINC000631867440 370229737 /nfs/dbraw/zinc/22/97/37/370229737.db2.gz UWSKKSRMYBRNRW-AGIUHOORSA-N 2 1 224.348 1.287 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309885091 370272692 /nfs/dbraw/zinc/27/26/92/370272692.db2.gz XRFCBWKWMYPXQO-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)c1nccn1C[C@@H](O)C[N@H+](C)C(C)C ZINC000310412020 370342855 /nfs/dbraw/zinc/34/28/55/370342855.db2.gz PAUAIVBAEBURPA-LBPRGKRZSA-N 2 1 239.363 1.708 20 0 BDADMP CC(C)c1[nH+]ccn1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000310412020 370342866 /nfs/dbraw/zinc/34/28/66/370342866.db2.gz PAUAIVBAEBURPA-LBPRGKRZSA-N 2 1 239.363 1.708 20 0 BDADMP CC(C)c1[nH+]ccn1C[C@@H](O)C[N@H+](C)C(C)C ZINC000310412020 370342870 /nfs/dbraw/zinc/34/28/70/370342870.db2.gz PAUAIVBAEBURPA-LBPRGKRZSA-N 2 1 239.363 1.708 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCC[C@@H]21 ZINC000310460609 370347097 /nfs/dbraw/zinc/34/70/97/370347097.db2.gz ASHDJBKEEVROGI-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCC[C@@H]21 ZINC000310460609 370347100 /nfs/dbraw/zinc/34/71/00/370347100.db2.gz ASHDJBKEEVROGI-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000310460609 370347102 /nfs/dbraw/zinc/34/71/02/370347102.db2.gz ASHDJBKEEVROGI-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000310460609 370347107 /nfs/dbraw/zinc/34/71/07/370347107.db2.gz ASHDJBKEEVROGI-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc(C)c2)C1 ZINC000621773785 370518753 /nfs/dbraw/zinc/51/87/53/370518753.db2.gz BSQKJTKMFBWBFU-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000621773785 370518758 /nfs/dbraw/zinc/51/87/58/370518758.db2.gz BSQKJTKMFBWBFU-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP CCn1cc(CC[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000621774513 370520509 /nfs/dbraw/zinc/52/05/09/370520509.db2.gz WAHQDQSFDUCGIY-UHFFFAOYSA-N 2 1 238.379 1.362 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000621775195 370521954 /nfs/dbraw/zinc/52/19/54/370521954.db2.gz IMSXTTMSEOWMLI-ZDUSSCGKSA-N 2 1 236.363 1.116 20 0 BDADMP CCn1nccc1CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000621775371 370522882 /nfs/dbraw/zinc/52/28/82/370522882.db2.gz NBQWYIULHKTSBV-RYUDHWBXSA-N 2 1 236.363 1.115 20 0 BDADMP CCn1cc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000621775386 370523299 /nfs/dbraw/zinc/52/32/99/370523299.db2.gz NNWNEJXOSRULNY-KGLIPLIRSA-N 2 1 248.374 1.129 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000621775386 370523303 /nfs/dbraw/zinc/52/33/03/370523303.db2.gz NNWNEJXOSRULNY-KGLIPLIRSA-N 2 1 248.374 1.129 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC1CCC1)C2 ZINC000621783440 370533868 /nfs/dbraw/zinc/53/38/68/370533868.db2.gz BLBYCVNFZMQEIT-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1CC=CC1)C2 ZINC000621784501 370535370 /nfs/dbraw/zinc/53/53/70/370535370.db2.gz PWFDQAXUOMBWNB-CHWSQXEVSA-N 2 1 206.333 1.766 20 0 BDADMP Cc1cc(C[NH2+]CCCn2cc[nH+]c2C)on1 ZINC000631045136 371025115 /nfs/dbraw/zinc/02/51/15/371025115.db2.gz CWEWILLPBFTKCF-UHFFFAOYSA-N 2 1 234.303 1.668 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccn1 ZINC000391200588 371277255 /nfs/dbraw/zinc/27/72/55/371277255.db2.gz CEEYSGYMGPUADT-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccn1 ZINC000391200588 371277261 /nfs/dbraw/zinc/27/72/61/371277261.db2.gz CEEYSGYMGPUADT-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000624122015 371323424 /nfs/dbraw/zinc/32/34/24/371323424.db2.gz ICDZMPQIUZSIAB-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cn[nH]c1 ZINC000624123255 371324261 /nfs/dbraw/zinc/32/42/61/371324261.db2.gz ITGNAOGVVGEAAV-NWDGAFQWSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000624123255 371324267 /nfs/dbraw/zinc/32/42/67/371324267.db2.gz ITGNAOGVVGEAAV-NWDGAFQWSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cn[nH]c1 ZINC000624123256 371325108 /nfs/dbraw/zinc/32/51/08/371325108.db2.gz ITGNAOGVVGEAAV-RYUDHWBXSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000624123256 371325110 /nfs/dbraw/zinc/32/51/10/371325110.db2.gz ITGNAOGVVGEAAV-RYUDHWBXSA-N 2 1 236.363 1.792 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2O)CC1(C)C ZINC000631250899 372260258 /nfs/dbraw/zinc/26/02/58/372260258.db2.gz CBZGSMRXIRICSH-SRVKXCTJSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1(C)C ZINC000631301405 372284459 /nfs/dbraw/zinc/28/44/59/372284459.db2.gz MCLOHXQQQAFCBY-UPJWGTAASA-N 2 1 240.391 1.752 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000631666639 372491968 /nfs/dbraw/zinc/49/19/68/372491968.db2.gz GNYWTRUUYMDDCO-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826346 372606479 /nfs/dbraw/zinc/60/64/79/372606479.db2.gz LJBNANBEKHBWLU-FQUUOJAGSA-N 2 1 238.375 1.343 20 0 BDADMP Cc1nccnc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000631828672 372609205 /nfs/dbraw/zinc/60/92/05/372609205.db2.gz VHIQJKMIWPIPCD-CMPLNLGQSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1nccnc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000631828672 372609211 /nfs/dbraw/zinc/60/92/11/372609211.db2.gz VHIQJKMIWPIPCD-CMPLNLGQSA-N 2 1 234.347 1.202 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000631830665 372614944 /nfs/dbraw/zinc/61/49/44/372614944.db2.gz YMVANNUNFRUACK-AGIUHOORSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000631830665 372614952 /nfs/dbraw/zinc/61/49/52/372614952.db2.gz YMVANNUNFRUACK-AGIUHOORSA-N 2 1 224.348 1.369 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCCC1 ZINC000631836620 372624797 /nfs/dbraw/zinc/62/47/97/372624797.db2.gz COURQZODCCVTPV-MRVWCRGKSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000631838270 372632484 /nfs/dbraw/zinc/63/24/84/372632484.db2.gz LIUJMOWURSBIFE-UONOGXRCSA-N 3 1 239.407 1.389 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000631838270 372632485 /nfs/dbraw/zinc/63/24/85/372632485.db2.gz LIUJMOWURSBIFE-UONOGXRCSA-N 3 1 239.407 1.389 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000631842733 372641128 /nfs/dbraw/zinc/64/11/28/372641128.db2.gz DZZNPDQTGNRQCP-ZYHUDNBSSA-N 2 1 222.307 1.852 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000631842402 372641361 /nfs/dbraw/zinc/64/13/61/372641361.db2.gz ZYRYLCZVTVMORK-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000631842402 372641366 /nfs/dbraw/zinc/64/13/66/372641366.db2.gz ZYRYLCZVTVMORK-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000631826985 372605683 /nfs/dbraw/zinc/60/56/83/372605683.db2.gz BMFWTRJTNLYDKS-UBHSHLNASA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000631863071 372665178 /nfs/dbraw/zinc/66/51/78/372665178.db2.gz XHDKUZWUXKMHQB-WOPDTQHZSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@@H]1CCCCO1 ZINC000631863071 372665181 /nfs/dbraw/zinc/66/51/81/372665181.db2.gz XHDKUZWUXKMHQB-WOPDTQHZSA-N 2 1 212.337 1.367 20 0 BDADMP CCOCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888690 372673299 /nfs/dbraw/zinc/67/32/99/372673299.db2.gz YZCCZTWQRKGTFA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888690 372673302 /nfs/dbraw/zinc/67/33/02/372673302.db2.gz YZCCZTWQRKGTFA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP Cn1cc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000631888880 372684462 /nfs/dbraw/zinc/68/44/62/372684462.db2.gz CRMWDLCVQMZUCA-KBPBESRZSA-N 2 1 248.374 1.037 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889692 372685390 /nfs/dbraw/zinc/68/53/90/372685390.db2.gz LOZCJTGBPAKXPT-HIFRSBDPSA-N 2 1 245.370 1.843 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890897 372687054 /nfs/dbraw/zinc/68/70/54/372687054.db2.gz ULAQVZPTWJLAMY-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@@H]2CCSC2)C[C@@H]1[NH3+] ZINC000069718288 373643335 /nfs/dbraw/zinc/64/33/35/373643335.db2.gz GBAPNXRLFNLRTC-BBBLOLIVSA-N 2 1 200.351 1.161 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCSC2)C[C@@H]1[NH3+] ZINC000069718288 373643342 /nfs/dbraw/zinc/64/33/42/373643342.db2.gz GBAPNXRLFNLRTC-BBBLOLIVSA-N 2 1 200.351 1.161 20 0 BDADMP C[C@H]([NH3+])C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000442665923 206081388 /nfs/dbraw/zinc/08/13/88/206081388.db2.gz RKIYHBPHUINVLB-SWLSCSKDSA-N 2 1 248.370 1.706 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000442665923 206081395 /nfs/dbraw/zinc/08/13/95/206081395.db2.gz RKIYHBPHUINVLB-SWLSCSKDSA-N 2 1 248.370 1.706 20 0 BDADMP OC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000236486119 183027482 /nfs/dbraw/zinc/02/74/82/183027482.db2.gz YLSCBRIMIOZUDV-UHFFFAOYSA-N 2 1 238.375 1.506 20 0 BDADMP OCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040444274 183053936 /nfs/dbraw/zinc/05/39/36/183053936.db2.gz JNWMZDJQDXWITA-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP O[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310216265 183196677 /nfs/dbraw/zinc/19/66/77/183196677.db2.gz FENDYYISTSSVGP-SMDDNHRTSA-N 2 1 238.375 1.364 20 0 BDADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCOC2)C1 ZINC000336662536 169077458 /nfs/dbraw/zinc/07/74/58/169077458.db2.gz CIRDLBXBFAMQBG-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCOC2)C1 ZINC000336662536 169077460 /nfs/dbraw/zinc/07/74/60/169077460.db2.gz CIRDLBXBFAMQBG-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000336662536 169077462 /nfs/dbraw/zinc/07/74/62/169077462.db2.gz CIRDLBXBFAMQBG-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 ZINC000336662536 169077463 /nfs/dbraw/zinc/07/74/63/169077463.db2.gz CIRDLBXBFAMQBG-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(C)COC2)C1 ZINC000336678676 169077603 /nfs/dbraw/zinc/07/76/03/169077603.db2.gz BVCSIWYCAVJHQS-ZDUSSCGKSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336678676 169077606 /nfs/dbraw/zinc/07/76/06/169077606.db2.gz BVCSIWYCAVJHQS-ZDUSSCGKSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336678676 169077608 /nfs/dbraw/zinc/07/76/08/169077608.db2.gz BVCSIWYCAVJHQS-ZDUSSCGKSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](CCC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336652694 169149518 /nfs/dbraw/zinc/14/95/18/169149518.db2.gz ITJYSENAPVBUHC-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[NH+](CCC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336652694 169149521 /nfs/dbraw/zinc/14/95/21/169149521.db2.gz ITJYSENAPVBUHC-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[N@@H+](CCCC(=O)OC)C1CC[NH2+]CC1 ZINC000037538932 169153740 /nfs/dbraw/zinc/15/37/40/169153740.db2.gz BHRLSXVDEUNZKJ-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP CCC[N@H+](CCO)CCCn1cc[nH+]c1C ZINC000305165538 169165773 /nfs/dbraw/zinc/16/57/73/169165773.db2.gz HJXRVNVFLPQNDI-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP CCC[N@@H+](CCO)CCCn1cc[nH+]c1C ZINC000305165538 169165776 /nfs/dbraw/zinc/16/57/76/169165776.db2.gz HJXRVNVFLPQNDI-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP CCC[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC000037993049 169168727 /nfs/dbraw/zinc/16/87/27/169168727.db2.gz FSJUEGGGCYDIIQ-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC000309013359 169187954 /nfs/dbraw/zinc/18/79/54/169187954.db2.gz YHYJUHWAYPUJGW-NSHDSACASA-N 3 1 213.369 1.045 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000128915822 169190216 /nfs/dbraw/zinc/19/02/16/169190216.db2.gz HZKLIVOMQNXFMC-ZDUSSCGKSA-N 3 1 239.407 1.593 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000353137654 169197453 /nfs/dbraw/zinc/19/74/53/169197453.db2.gz MHQFUAJGNVJFNV-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000353137654 169197454 /nfs/dbraw/zinc/19/74/54/169197454.db2.gz MHQFUAJGNVJFNV-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000360621896 169198709 /nfs/dbraw/zinc/19/87/09/169198709.db2.gz TWBPIFOKPUHUCL-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP c1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c[nH]1 ZINC000360790077 183347421 /nfs/dbraw/zinc/34/74/21/183347421.db2.gz AJHPPZFWZDHEKT-ILXRZTDVSA-N 2 1 245.370 1.931 20 0 BDADMP c1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c[nH]1 ZINC000360790077 183347423 /nfs/dbraw/zinc/34/74/23/183347423.db2.gz AJHPPZFWZDHEKT-ILXRZTDVSA-N 2 1 245.370 1.931 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c[nH]1 ZINC000360790077 183347427 /nfs/dbraw/zinc/34/74/27/183347427.db2.gz AJHPPZFWZDHEKT-ILXRZTDVSA-N 2 1 245.370 1.931 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c[nH]1 ZINC000360790077 183347429 /nfs/dbraw/zinc/34/74/29/183347429.db2.gz AJHPPZFWZDHEKT-ILXRZTDVSA-N 2 1 245.370 1.931 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000353518656 169207279 /nfs/dbraw/zinc/20/72/79/169207279.db2.gz LIZIVGJJDVZBCQ-IYXRBSQSSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000092630163 169387234 /nfs/dbraw/zinc/38/72/34/169387234.db2.gz WIMMSFWAPMHUPL-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181137003 134336599 /nfs/dbraw/zinc/33/65/99/134336599.db2.gz UGUWOWOPXXZSDW-JHJVBQTASA-N 2 1 242.407 1.856 20 0 BDADMP COC(=O)CCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226466844 134363652 /nfs/dbraw/zinc/36/36/52/134363652.db2.gz GLYAZBQYOWDDCS-LLVKDONJSA-N 2 1 228.336 1.014 20 0 BDADMP C[C@@H]([NH3+])CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000307656440 532962094 /nfs/dbraw/zinc/96/20/94/532962094.db2.gz QMGYJPMHCWELDN-CQSZACIVSA-N 2 1 247.386 1.542 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000226588254 134367256 /nfs/dbraw/zinc/36/72/56/134367256.db2.gz SPUHRECXDWQPIQ-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCCF)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000088026323 383906848 /nfs/dbraw/zinc/90/68/48/383906848.db2.gz XOOYPMRCWAZGDU-ZACCUICWSA-N 2 1 200.301 1.561 20 0 BDADMP C[NH+](C)C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000036190887 383886730 /nfs/dbraw/zinc/88/67/30/383886730.db2.gz SKTQRFNZBVPQEY-UHFFFAOYSA-N 2 1 233.359 1.795 20 0 BDADMP CCc1cc(NCC2([NH3+])CCC2)nc(C)[nH+]1 ZINC000234165209 383986395 /nfs/dbraw/zinc/98/63/95/383986395.db2.gz ZKMGSUIGIYXJGB-UHFFFAOYSA-N 2 1 220.320 1.641 20 0 BDADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000067693177 383936574 /nfs/dbraw/zinc/93/65/74/383936574.db2.gz VYQXCUIMTZTASX-UHFFFAOYSA-N 2 1 244.342 1.761 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000300056560 383974454 /nfs/dbraw/zinc/97/44/54/383974454.db2.gz LSUVDGXHOYKLNN-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000037859664 384029315 /nfs/dbraw/zinc/02/93/15/384029315.db2.gz KWNBOCLGPHDICH-HIFRSBDPSA-N 2 1 248.370 1.794 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000573120261 384034847 /nfs/dbraw/zinc/03/48/47/384034847.db2.gz KEDDPHOBWOIXRX-AWEZNQCLSA-N 3 1 235.375 1.608 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccnn1C ZINC000278649331 384055060 /nfs/dbraw/zinc/05/50/60/384055060.db2.gz HYUCJOYCGVABQC-JTQLQIEISA-N 2 1 233.319 1.276 20 0 BDADMP C[C@@H]1N(CC[C@@H]2CCC[N@H+]2C)CCOC1(C)C ZINC000336552017 384115784 /nfs/dbraw/zinc/11/57/84/384115784.db2.gz DHNUPDWSHSBJEI-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cscn2)CC[NH2+]1 ZINC000235366424 384172089 /nfs/dbraw/zinc/17/20/89/384172089.db2.gz DKNZABGOQMHYJH-GHMZBOCLSA-N 2 1 239.388 1.963 20 0 BDADMP Cc1nc(C)c(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000309615476 384168233 /nfs/dbraw/zinc/16/82/33/384168233.db2.gz NRZGSSNSQHVPSX-LLVKDONJSA-N 2 1 239.388 1.992 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCOCC2)CC[N@@H+]1C ZINC000090720866 384170515 /nfs/dbraw/zinc/17/05/15/384170515.db2.gz RLAHUUROSSUVJL-PWSUYJOCSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCOCC2)CC[N@H+]1C ZINC000090720866 384170517 /nfs/dbraw/zinc/17/05/17/384170517.db2.gz RLAHUUROSSUVJL-PWSUYJOCSA-N 2 1 212.337 1.238 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](C2CC2)C1)C1CC1 ZINC000351714180 384204237 /nfs/dbraw/zinc/20/42/37/384204237.db2.gz ZVMNYGARQSPFKF-GXTWGEPZSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](C2CC2)C1)C1CC1 ZINC000351714180 384204239 /nfs/dbraw/zinc/20/42/39/384204239.db2.gz ZVMNYGARQSPFKF-GXTWGEPZSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](C2CC2)C1)C1CC1 ZINC000351714180 384204241 /nfs/dbraw/zinc/20/42/41/384204241.db2.gz ZVMNYGARQSPFKF-GXTWGEPZSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](C2CC2)C1)C1CC1 ZINC000351714180 384204244 /nfs/dbraw/zinc/20/42/44/384204244.db2.gz ZVMNYGARQSPFKF-GXTWGEPZSA-N 2 1 238.375 1.173 20 0 BDADMP Cc1csc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000400324345 384186652 /nfs/dbraw/zinc/18/66/52/384186652.db2.gz CWYMFWPEFXNCRG-WDEREUQCSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000520894008 384200734 /nfs/dbraw/zinc/20/07/34/384200734.db2.gz AZIZXNUGLDNIAC-LPWJVIDDSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000520894008 384200739 /nfs/dbraw/zinc/20/07/39/384200739.db2.gz AZIZXNUGLDNIAC-LPWJVIDDSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000520894008 384200743 /nfs/dbraw/zinc/20/07/43/384200743.db2.gz AZIZXNUGLDNIAC-LPWJVIDDSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000520894008 384200747 /nfs/dbraw/zinc/20/07/47/384200747.db2.gz AZIZXNUGLDNIAC-LPWJVIDDSA-N 2 1 210.365 1.914 20 0 BDADMP CCc1nc(N(C)[C@@H](C[NH3+])C2CC2)cc(C)[nH+]1 ZINC000302508424 384217167 /nfs/dbraw/zinc/21/71/67/384217167.db2.gz MQYSOFGAOPDQBP-NSHDSACASA-N 2 1 234.347 1.521 20 0 BDADMP COC1(C[N@H+](C)[C@@H](C)C[NH3+])CCCC1 ZINC000319480860 384249048 /nfs/dbraw/zinc/24/90/48/384249048.db2.gz SHTNNUZPGWNGBR-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP COC1(C[N@@H+](C)[C@@H](C)C[NH3+])CCCC1 ZINC000319480860 384249051 /nfs/dbraw/zinc/24/90/51/384249051.db2.gz SHTNNUZPGWNGBR-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP Cc1ccsc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313340372 384269758 /nfs/dbraw/zinc/26/97/58/384269758.db2.gz MEKUKHICQOBDBH-NSHDSACASA-N 2 1 240.372 1.606 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccs2)CCCO1 ZINC000313376871 384306266 /nfs/dbraw/zinc/30/62/66/384306266.db2.gz DWAGOKIQFLQOIV-SNVBAGLBSA-N 2 1 226.345 1.298 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccs2)CCCO1 ZINC000313376871 384306277 /nfs/dbraw/zinc/30/62/77/384306277.db2.gz DWAGOKIQFLQOIV-SNVBAGLBSA-N 2 1 226.345 1.298 20 0 BDADMP Cc1cc(N2CCC([NH2+]C3CC3)CC2)nc(C)[nH+]1 ZINC000133541370 384296871 /nfs/dbraw/zinc/29/68/71/384296871.db2.gz KBQZDFGWZLHOPV-UHFFFAOYSA-N 2 1 246.358 1.814 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000228858807 384345703 /nfs/dbraw/zinc/34/57/03/384345703.db2.gz UYWHNJYQXAGSIS-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc1 ZINC000647509088 384330891 /nfs/dbraw/zinc/33/08/91/384330891.db2.gz LKXXAINOAZDALL-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc1 ZINC000647509088 384330895 /nfs/dbraw/zinc/33/08/95/384330895.db2.gz LKXXAINOAZDALL-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccn1 ZINC000405437282 384331216 /nfs/dbraw/zinc/33/12/16/384331216.db2.gz CLSXJBTWGYPWBS-QWRGUYRKSA-N 2 1 205.305 1.297 20 0 BDADMP CSCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172629503 384393206 /nfs/dbraw/zinc/39/32/06/384393206.db2.gz NKENRNHYCOCTDA-LLVKDONJSA-N 2 1 216.394 1.623 20 0 BDADMP CSCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172629503 384393211 /nfs/dbraw/zinc/39/32/11/384393211.db2.gz NKENRNHYCOCTDA-LLVKDONJSA-N 2 1 216.394 1.623 20 0 BDADMP CSCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172629503 384393218 /nfs/dbraw/zinc/39/32/18/384393218.db2.gz NKENRNHYCOCTDA-LLVKDONJSA-N 2 1 216.394 1.623 20 0 BDADMP CC(C)(CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622926 384395926 /nfs/dbraw/zinc/39/59/26/384395926.db2.gz GRIQLGRTLQTMKY-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1OCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335607345 384380331 /nfs/dbraw/zinc/38/03/31/384380331.db2.gz RBUFMAWUCXXHPJ-PWSUYJOCSA-N 2 1 210.321 1.015 20 0 BDADMP C[N@@H+](Cc1ccc(N)nc1)C[C@H]1CCC[NH+](C)C1 ZINC000647513955 384428501 /nfs/dbraw/zinc/42/85/01/384428501.db2.gz XWJUHYSZZWSUEP-ZDUSSCGKSA-N 2 1 248.374 1.268 20 0 BDADMP C[N@H+](Cc1ccc(N)nc1)C[C@H]1CCC[NH+](C)C1 ZINC000647513955 384428507 /nfs/dbraw/zinc/42/85/07/384428507.db2.gz XWJUHYSZZWSUEP-ZDUSSCGKSA-N 2 1 248.374 1.268 20 0 BDADMP C[NH+](Cc1ccc(N)nc1)C[C@H]1CCC[N@H+](C)C1 ZINC000647513955 384428510 /nfs/dbraw/zinc/42/85/10/384428510.db2.gz XWJUHYSZZWSUEP-ZDUSSCGKSA-N 2 1 248.374 1.268 20 0 BDADMP C[NH+](Cc1ccc(N)nc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000647513955 384428517 /nfs/dbraw/zinc/42/85/17/384428517.db2.gz XWJUHYSZZWSUEP-ZDUSSCGKSA-N 2 1 248.374 1.268 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229095400 384430756 /nfs/dbraw/zinc/43/07/56/384430756.db2.gz XFTQTUPGZWRCPN-RYUDHWBXSA-N 2 1 219.332 1.811 20 0 BDADMP C[C@]1(C[N@@H+]2CCC[C@H](OC(F)F)C2)CC[NH2+]C1 ZINC000647518410 384501862 /nfs/dbraw/zinc/50/18/62/384501862.db2.gz HKIJKVSMIRHZOV-JQWIXIFHSA-N 2 1 248.317 1.690 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H](OC(F)F)C2)CC[NH2+]C1 ZINC000647518410 384501866 /nfs/dbraw/zinc/50/18/66/384501866.db2.gz HKIJKVSMIRHZOV-JQWIXIFHSA-N 2 1 248.317 1.690 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000372997746 384536311 /nfs/dbraw/zinc/53/63/11/384536311.db2.gz GOGCVWXZTBBXFC-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000249970799 384529398 /nfs/dbraw/zinc/52/93/98/384529398.db2.gz HUVUKTCLWYTOIN-GXTWGEPZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000397398278 384553949 /nfs/dbraw/zinc/55/39/49/384553949.db2.gz QCCGCCMZOSSHIC-VWYCJHECSA-N 2 1 239.388 1.948 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000397398278 384553957 /nfs/dbraw/zinc/55/39/57/384553957.db2.gz QCCGCCMZOSSHIC-VWYCJHECSA-N 2 1 239.388 1.948 20 0 BDADMP c1cc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000643057146 384558059 /nfs/dbraw/zinc/55/80/59/384558059.db2.gz GELYJWPMOGAQDH-CHWSQXEVSA-N 2 1 248.374 1.589 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000643056779 384558924 /nfs/dbraw/zinc/55/89/24/384558924.db2.gz DPYFNAONGKKWHL-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000643057863 384560986 /nfs/dbraw/zinc/56/09/86/384560986.db2.gz NHNUBSXAMRFYGD-LBPRGKRZSA-N 2 1 228.380 1.326 20 0 BDADMP Cc1nnsc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000309785677 384607350 /nfs/dbraw/zinc/60/73/50/384607350.db2.gz SMCKBGYYVPUGIS-PSASIEDQSA-N 2 1 240.376 1.276 20 0 BDADMP CC(C)CC(CC(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154316708 384607605 /nfs/dbraw/zinc/60/76/05/384607605.db2.gz CYOLJRHRKUDMGS-CQSZACIVSA-N 2 1 244.423 1.959 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000086638239 384672707 /nfs/dbraw/zinc/67/27/07/384672707.db2.gz KPIMPDLIJWATTK-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400735980 384641432 /nfs/dbraw/zinc/64/14/32/384641432.db2.gz RRVRCXAQFAVIGC-ZIQFBCGOSA-N 2 1 212.337 1.282 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000358100033 384656853 /nfs/dbraw/zinc/65/68/53/384656853.db2.gz RPGDAVFMLDLKPT-SDDRHHMPSA-N 2 1 239.363 1.841 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000050372550 384692066 /nfs/dbraw/zinc/69/20/66/384692066.db2.gz CUFQHCQXPASWII-VXGBXAGGSA-N 2 1 223.320 1.349 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336661006 384699763 /nfs/dbraw/zinc/69/97/63/384699763.db2.gz JUZBFSBHQPIGHQ-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336661006 384699768 /nfs/dbraw/zinc/69/97/68/384699768.db2.gz JUZBFSBHQPIGHQ-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCOC1 ZINC000363700397 384707192 /nfs/dbraw/zinc/70/71/92/384707192.db2.gz WBLZUTHRUIKWFS-XQQFMLRXSA-N 2 1 249.358 1.460 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccccc2)CC1 ZINC000052097665 384718160 /nfs/dbraw/zinc/71/81/60/384718160.db2.gz KREPUWYFFBCXNU-OAHLLOKOSA-N 2 1 248.370 1.578 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546161 384730333 /nfs/dbraw/zinc/73/03/33/384730333.db2.gz BVJQFDNQDXTROZ-IGQOVBAYSA-N 3 1 239.407 1.338 20 0 BDADMP Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000647546167 384730643 /nfs/dbraw/zinc/73/06/43/384730643.db2.gz BYGXSTWRQKFEQU-ZDUSSCGKSA-N 2 1 248.374 1.491 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546954 384734575 /nfs/dbraw/zinc/73/45/75/384734575.db2.gz IBTYYRQRJIWPCC-YHQUGGNUSA-N 3 1 237.391 1.105 20 0 BDADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309958563 384744069 /nfs/dbraw/zinc/74/40/69/384744069.db2.gz JXQJRZLVWVEMIZ-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000647547986 384750667 /nfs/dbraw/zinc/75/06/67/384750667.db2.gz QFSJTMDDAPFTEU-QWHCGFSZSA-N 3 1 237.391 1.250 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N)nc2)C[C@@H]1C[NH3+] ZINC000647552180 384758886 /nfs/dbraw/zinc/75/88/86/384758886.db2.gz KUTVMDKFYZJYQG-MDZLAQPJSA-N 2 1 248.374 1.299 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647552376 384759115 /nfs/dbraw/zinc/75/91/15/384759115.db2.gz YBBGKVHEDLLMIL-XVIXHAIJSA-N 2 1 237.391 1.234 20 0 BDADMP C(N[C@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000647554317 384772313 /nfs/dbraw/zinc/77/23/13/384772313.db2.gz WQOXGIABQMDDOL-ZDUSSCGKSA-N 2 1 237.391 1.250 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000361816288 384820698 /nfs/dbraw/zinc/82/06/98/384820698.db2.gz XKEAPAPPRGEQJS-XJFOESAGSA-N 2 1 242.407 1.976 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)O1 ZINC000398160489 384824261 /nfs/dbraw/zinc/82/42/61/384824261.db2.gz VVIVFYSOCAKMKF-RYMFRWLXSA-N 2 1 240.391 1.872 20 0 BDADMP CC[C@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000308594609 384835137 /nfs/dbraw/zinc/83/51/37/384835137.db2.gz XUCXHQLBALZZEM-LLVKDONJSA-N 2 1 200.326 1.095 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](C)CC1 ZINC000310012493 384783433 /nfs/dbraw/zinc/78/34/33/384783433.db2.gz JDJHORAIBCNNKH-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](C)CC1 ZINC000310012495 384783775 /nfs/dbraw/zinc/78/37/75/384783775.db2.gz JDJHORAIBCNNKH-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000397331973 384798152 /nfs/dbraw/zinc/79/81/52/384798152.db2.gz RHHZQBMFDJUKJK-XQHKEYJVSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403530094 384808802 /nfs/dbraw/zinc/80/88/02/384808802.db2.gz NVSKWQQWJTYPIJ-KVSVUVNWSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403530094 384808805 /nfs/dbraw/zinc/80/88/05/384808805.db2.gz NVSKWQQWJTYPIJ-KVSVUVNWSA-N 2 1 208.349 1.844 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000310120878 384844680 /nfs/dbraw/zinc/84/46/80/384844680.db2.gz DOTMKUBCLKMNJJ-KGLIPLIRSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162971 384899813 /nfs/dbraw/zinc/89/98/13/384899813.db2.gz HUHJSKFCPDPVPU-AEGPPILISA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162971 384899818 /nfs/dbraw/zinc/89/98/18/384899818.db2.gz HUHJSKFCPDPVPU-AEGPPILISA-N 2 1 248.370 1.792 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000300783191 384919460 /nfs/dbraw/zinc/91/94/60/384919460.db2.gz RVTIPYPCWUQGFL-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000300783191 384919464 /nfs/dbraw/zinc/91/94/64/384919464.db2.gz RVTIPYPCWUQGFL-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000310267835 384933873 /nfs/dbraw/zinc/93/38/73/384933873.db2.gz MQYHBMFCFDTHDR-FZMZJTMJSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000310267835 384933879 /nfs/dbraw/zinc/93/38/79/384933879.db2.gz MQYHBMFCFDTHDR-FZMZJTMJSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000310267842 384933939 /nfs/dbraw/zinc/93/39/39/384933939.db2.gz MQYHBMFCFDTHDR-SMDDNHRTSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000310267842 384933944 /nfs/dbraw/zinc/93/39/44/384933944.db2.gz MQYHBMFCFDTHDR-SMDDNHRTSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1ccccc1OC ZINC000258827079 384940084 /nfs/dbraw/zinc/94/00/84/384940084.db2.gz UYHWEINYWCHUNA-UHFFFAOYSA-N 2 1 236.359 1.779 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000404414334 384980802 /nfs/dbraw/zinc/98/08/02/384980802.db2.gz LXGXXGJXEFINSD-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000404414334 384980811 /nfs/dbraw/zinc/98/08/11/384980811.db2.gz LXGXXGJXEFINSD-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CO1 ZINC000401870426 384997247 /nfs/dbraw/zinc/99/72/47/384997247.db2.gz BOJCYLBFUMJNOH-QCNOEVLYSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CO1 ZINC000401870426 384997254 /nfs/dbraw/zinc/99/72/54/384997254.db2.gz BOJCYLBFUMJNOH-QCNOEVLYSA-N 2 1 212.337 1.236 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)nc1 ZINC000310366929 385007002 /nfs/dbraw/zinc/00/70/02/385007002.db2.gz MJKZVSRMIORNMN-TZMCWYRMSA-N 2 1 233.359 1.807 20 0 BDADMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000128921325 384964125 /nfs/dbraw/zinc/96/41/25/384964125.db2.gz ZFQDMBDQFDNNSA-NSHDSACASA-N 2 1 216.394 1.671 20 0 BDADMP CN(CC[N@@H+](C)C1CC1)C(=O)CCC(C)(C)[NH3+] ZINC000648165858 385074465 /nfs/dbraw/zinc/07/44/65/385074465.db2.gz MUGBIAJMCKGQAV-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP Cc1cc(NC[C@H](C)C[NH+](C)C)nc(C)[nH+]1 ZINC000291875482 385032940 /nfs/dbraw/zinc/03/29/40/385032940.db2.gz NWNFSTNEHXFLIH-VIFPVBQESA-N 2 1 222.336 1.703 20 0 BDADMP C[N@@H+](CCCNC(N)=[NH2+])C1CCCCC1 ZINC000052020011 385118691 /nfs/dbraw/zinc/11/86/91/385118691.db2.gz KCFDYLZTWFXWAJ-UHFFFAOYSA-N 2 1 212.341 1.124 20 0 BDADMP CC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000370879328 385131432 /nfs/dbraw/zinc/13/14/32/385131432.db2.gz QDLBOTNJKOUNRO-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000370879328 385131441 /nfs/dbraw/zinc/13/14/41/385131441.db2.gz QDLBOTNJKOUNRO-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527193 385104483 /nfs/dbraw/zinc/10/44/83/385104483.db2.gz XHWUOUHPZZIDLL-BZPMIXESSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527193 385104486 /nfs/dbraw/zinc/10/44/86/385104486.db2.gz XHWUOUHPZZIDLL-BZPMIXESSA-N 2 1 238.375 1.173 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305114505 385189217 /nfs/dbraw/zinc/18/92/17/385189217.db2.gz FEAPBEXXXUZJRN-MJBXVCDLSA-N 2 1 242.407 1.715 20 0 BDADMP CN(C)c1nc(NC[C@@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000227666516 385190315 /nfs/dbraw/zinc/19/03/15/385190315.db2.gz YOFIKHHZOJYQAC-GHMZBOCLSA-N 2 1 249.362 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000252710689 385198950 /nfs/dbraw/zinc/19/89/50/385198950.db2.gz HKAYVYSDAUZCST-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCC[NH+]1C ZINC000252712655 385210178 /nfs/dbraw/zinc/21/01/78/385210178.db2.gz MZQCBTLRXTZREW-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000252712655 385210184 /nfs/dbraw/zinc/21/01/84/385210184.db2.gz MZQCBTLRXTZREW-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000252712655 385210187 /nfs/dbraw/zinc/21/01/87/385210187.db2.gz MZQCBTLRXTZREW-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000252712655 385210194 /nfs/dbraw/zinc/21/01/94/385210194.db2.gz MZQCBTLRXTZREW-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCN(C)C ZINC000308860083 385221508 /nfs/dbraw/zinc/22/15/08/385221508.db2.gz PBPJJBWTVOEANP-NEPJUHHUSA-N 2 1 215.385 1.434 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300990167 385222895 /nfs/dbraw/zinc/22/28/95/385222895.db2.gz LNAATQAWGVTGSO-WOPDTQHZSA-N 2 1 228.380 1.872 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300990167 385222901 /nfs/dbraw/zinc/22/29/01/385222901.db2.gz LNAATQAWGVTGSO-WOPDTQHZSA-N 2 1 228.380 1.872 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252729642 385235914 /nfs/dbraw/zinc/23/59/14/385235914.db2.gz HQKKGJKWHZXJBV-CYDGBPFRSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252729642 385235924 /nfs/dbraw/zinc/23/59/24/385235924.db2.gz HQKKGJKWHZXJBV-CYDGBPFRSA-N 2 1 226.364 1.220 20 0 BDADMP COC[C@H](C)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482554 385205201 /nfs/dbraw/zinc/20/52/01/385205201.db2.gz PCXBGTYFUSXCHP-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154184735 385307596 /nfs/dbraw/zinc/30/75/96/385307596.db2.gz RNDUHYKHDZTRPV-WRWGMCAJSA-N 2 1 246.420 1.171 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154184735 385307601 /nfs/dbraw/zinc/30/76/01/385307601.db2.gz RNDUHYKHDZTRPV-WRWGMCAJSA-N 2 1 246.420 1.171 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000299894900 385267406 /nfs/dbraw/zinc/26/74/06/385267406.db2.gz BVKWSKHIMZGGMB-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP CC(C)n1nccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000280195920 385273896 /nfs/dbraw/zinc/27/38/96/385273896.db2.gz HKKQFBIZOHQIRX-UHFFFAOYSA-N 2 1 248.374 1.816 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000559983044 385275847 /nfs/dbraw/zinc/27/58/47/385275847.db2.gz ADMFGSCTYPHCQX-AVGNSLFASA-N 2 1 249.358 1.595 20 0 BDADMP C[N@H+](C[C@H](O)Cn1c[nH+]c2c1CCCC2)C1CC1 ZINC000311006873 385277541 /nfs/dbraw/zinc/27/75/41/385277541.db2.gz ZAKHXBMYCUGBBF-LBPRGKRZSA-N 2 1 249.358 1.217 20 0 BDADMP C[N@@H+](C[C@H](O)Cn1c[nH+]c2c1CCCC2)C1CC1 ZINC000311006873 385277548 /nfs/dbraw/zinc/27/75/48/385277548.db2.gz ZAKHXBMYCUGBBF-LBPRGKRZSA-N 2 1 249.358 1.217 20 0 BDADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCSC1 ZINC000300234867 385301194 /nfs/dbraw/zinc/30/11/94/385301194.db2.gz XFOYTAQJZRRXSL-RWMBFGLXSA-N 2 1 240.416 1.956 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCSC1 ZINC000300234867 385301197 /nfs/dbraw/zinc/30/11/97/385301197.db2.gz XFOYTAQJZRRXSL-RWMBFGLXSA-N 2 1 240.416 1.956 20 0 BDADMP C[N@@H+](Cc1cocn1)CC1CC[NH+](C)CC1 ZINC000191940710 385334381 /nfs/dbraw/zinc/33/43/81/385334381.db2.gz VUCHVOXEKDJGAX-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP C[N@H+](Cc1cocn1)CC1CC[NH+](C)CC1 ZINC000191940710 385334390 /nfs/dbraw/zinc/33/43/90/385334390.db2.gz VUCHVOXEKDJGAX-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000647494287 385335900 /nfs/dbraw/zinc/33/59/00/385335900.db2.gz UNJUKGHGTJAZCI-UHFFFAOYSA-N 2 1 222.336 1.150 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)O)CC[N@H+]1C ZINC000158087317 385341318 /nfs/dbraw/zinc/34/13/18/385341318.db2.gz IFUVAVRBBOCCNA-QWRGUYRKSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000120590289 385363501 /nfs/dbraw/zinc/36/35/01/385363501.db2.gz LUXXPNCMTHHOSC-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000299931320 385324823 /nfs/dbraw/zinc/32/48/23/385324823.db2.gz CDBBWFNSSBSNCQ-GXTWGEPZSA-N 2 1 233.359 1.807 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccccc1-n1cncn1 ZINC000647497235 385406332 /nfs/dbraw/zinc/40/63/32/385406332.db2.gz ARFBXXMMDNQPCN-UHFFFAOYSA-N 2 1 245.330 1.048 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1[NH3+] ZINC000647497561 385410414 /nfs/dbraw/zinc/41/04/14/385410414.db2.gz MDRBYYLFOJHAFR-WPRPVWTQSA-N 2 1 240.376 1.115 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@@H]1[NH3+] ZINC000647497561 385410419 /nfs/dbraw/zinc/41/04/19/385410419.db2.gz MDRBYYLFOJHAFR-WPRPVWTQSA-N 2 1 240.376 1.115 20 0 BDADMP Fc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000364441896 385444933 /nfs/dbraw/zinc/44/49/33/385444933.db2.gz GOQKCHLADPWMIB-QWHCGFSZSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000364441896 385444936 /nfs/dbraw/zinc/44/49/36/385444936.db2.gz GOQKCHLADPWMIB-QWHCGFSZSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000364441896 385444941 /nfs/dbraw/zinc/44/49/41/385444941.db2.gz GOQKCHLADPWMIB-QWHCGFSZSA-N 2 1 249.333 1.937 20 0 BDADMP C[C@@H](O)C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000194952877 385453688 /nfs/dbraw/zinc/45/36/88/385453688.db2.gz VBRWDWAJMTULTE-VXGBXAGGSA-N 2 1 237.347 1.055 20 0 BDADMP Cc1cnccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000295161405 385461719 /nfs/dbraw/zinc/46/17/19/385461719.db2.gz KNIATKSQVBSBBB-GFCCVEGCSA-N 2 1 221.348 1.820 20 0 BDADMP c1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868257 385536077 /nfs/dbraw/zinc/53/60/77/385536077.db2.gz UIGFHCMSLSHBDP-UONOGXRCSA-N 2 1 231.343 1.798 20 0 BDADMP c1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868257 385536083 /nfs/dbraw/zinc/53/60/83/385536083.db2.gz UIGFHCMSLSHBDP-UONOGXRCSA-N 2 1 231.343 1.798 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000319097774 385543674 /nfs/dbraw/zinc/54/36/74/385543674.db2.gz WAQQDGXQDHINTG-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000309409205 385572667 /nfs/dbraw/zinc/57/26/67/385572667.db2.gz WJTIXTVFACKOHE-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000309409205 385572669 /nfs/dbraw/zinc/57/26/69/385572669.db2.gz WJTIXTVFACKOHE-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252982771 385579503 /nfs/dbraw/zinc/57/95/03/385579503.db2.gz XYCKNLRUKZIDLS-MNOVXSKESA-N 2 1 222.336 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252982771 385579506 /nfs/dbraw/zinc/57/95/06/385579506.db2.gz XYCKNLRUKZIDLS-MNOVXSKESA-N 2 1 222.336 1.072 20 0 BDADMP COC[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000309430817 385580419 /nfs/dbraw/zinc/58/04/19/385580419.db2.gz GDHNMCGUKASSDQ-HIFPTAJRSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000309496434 385616393 /nfs/dbraw/zinc/61/63/93/385616393.db2.gz ZELXNIPDMHWBMT-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000309496434 385616397 /nfs/dbraw/zinc/61/63/97/385616397.db2.gz ZELXNIPDMHWBMT-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1CC1 ZINC000309496434 385616399 /nfs/dbraw/zinc/61/63/99/385616399.db2.gz ZELXNIPDMHWBMT-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1CC1 ZINC000309496434 385616406 /nfs/dbraw/zinc/61/64/06/385616406.db2.gz ZELXNIPDMHWBMT-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP FCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336680071 385626192 /nfs/dbraw/zinc/62/61/92/385626192.db2.gz IUDCCRMJPNSTKJ-NWDGAFQWSA-N 2 1 214.328 1.953 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000309522991 385662145 /nfs/dbraw/zinc/66/21/45/385662145.db2.gz CICCMNNJHDITRL-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000309522991 385662151 /nfs/dbraw/zinc/66/21/51/385662151.db2.gz CICCMNNJHDITRL-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336734589 385664031 /nfs/dbraw/zinc/66/40/31/385664031.db2.gz KWFXWXMJGSRBQV-UPJWGTAASA-N 2 1 228.380 1.610 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853410 385689686 /nfs/dbraw/zinc/68/96/86/385689686.db2.gz SINIOBBQZSYJCN-DGCLKSJQSA-N 2 1 228.380 1.909 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414855123 385699138 /nfs/dbraw/zinc/69/91/38/385699138.db2.gz WHEALRPBFKISBH-BFHYXJOUSA-N 3 1 241.423 1.742 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCOCC1 ZINC000414856382 385712565 /nfs/dbraw/zinc/71/25/65/385712565.db2.gz YUBLRZDLUMHGAW-NWDGAFQWSA-N 2 1 214.353 1.519 20 0 BDADMP C[N@@H+](CCCCCO)C[C@]1(C)CC[NH2+]C1 ZINC000336691931 385728807 /nfs/dbraw/zinc/72/88/07/385728807.db2.gz KVPIGWSDNAXDBR-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP CCn1nccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414859231 385741502 /nfs/dbraw/zinc/74/15/02/385741502.db2.gz TUQLEJFIVWOOQZ-VXGBXAGGSA-N 2 1 236.363 1.381 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC000414861816 385746953 /nfs/dbraw/zinc/74/69/53/385746953.db2.gz GKFSYMGBLJGENX-XQQFMLRXSA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC000414861814 385747399 /nfs/dbraw/zinc/74/73/99/385747399.db2.gz GKFSYMGBLJGENX-UPJWGTAASA-N 2 1 226.364 1.532 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000309626346 385754134 /nfs/dbraw/zinc/75/41/34/385754134.db2.gz GOPSJNAPYYUDTH-FRRDWIJNSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000414863293 385764192 /nfs/dbraw/zinc/76/41/92/385764192.db2.gz IHXPMVDZXVRDCR-JSGCOSHPSA-N 2 1 240.391 1.781 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309641866 385765660 /nfs/dbraw/zinc/76/56/60/385765660.db2.gz KZOBHRFBQVUQLJ-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP Cc1ccc(CCC[NH2+][C@H]2CCC[NH2+]C2)cn1 ZINC000414864388 385766329 /nfs/dbraw/zinc/76/63/29/385766329.db2.gz JZRYXKGLSXNIOF-AWEZNQCLSA-N 2 1 233.359 1.664 20 0 BDADMP CC[N@H+](CC[NH2+]CC[C@H]1CCOC1)C(C)C ZINC000309651487 385770513 /nfs/dbraw/zinc/77/05/13/385770513.db2.gz OGCLQZLSFAKUDL-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@@H+](CC[NH2+]CC[C@H]1CCOC1)C(C)C ZINC000309651487 385770514 /nfs/dbraw/zinc/77/05/14/385770514.db2.gz OGCLQZLSFAKUDL-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H](C[NH3+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414944354 385777547 /nfs/dbraw/zinc/77/75/47/385777547.db2.gz NSMTXEWTVCRCMK-VNHYZAJKSA-N 2 1 247.386 1.444 20 0 BDADMP C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C1(C)CC1 ZINC000336690688 385721437 /nfs/dbraw/zinc/72/14/37/385721437.db2.gz HISOJBCKKNMVOV-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C1(C)CC1 ZINC000336690688 385721439 /nfs/dbraw/zinc/72/14/39/385721439.db2.gz HISOJBCKKNMVOV-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)C1(C)CC1 ZINC000336690688 385721443 /nfs/dbraw/zinc/72/14/43/385721443.db2.gz HISOJBCKKNMVOV-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1)C1(C)CC1 ZINC000336690688 385721449 /nfs/dbraw/zinc/72/14/49/385721449.db2.gz HISOJBCKKNMVOV-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000336713146 385802114 /nfs/dbraw/zinc/80/21/14/385802114.db2.gz OFJQUJHLDSAAEO-DYEKYZERSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000336713146 385802120 /nfs/dbraw/zinc/80/21/20/385802120.db2.gz OFJQUJHLDSAAEO-DYEKYZERSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000336713146 385802126 /nfs/dbraw/zinc/80/21/26/385802126.db2.gz OFJQUJHLDSAAEO-DYEKYZERSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000336713146 385802131 /nfs/dbraw/zinc/80/21/31/385802131.db2.gz OFJQUJHLDSAAEO-DYEKYZERSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414947421 385802613 /nfs/dbraw/zinc/80/26/13/385802613.db2.gz VBQJAUJZOGPRGS-XADBCAIWSA-N 2 1 226.270 1.915 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414948098 385805131 /nfs/dbraw/zinc/80/51/31/385805131.db2.gz XNNZSQOXYOCZSM-DGCLKSJQSA-N 2 1 236.363 1.552 20 0 BDADMP CCOCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397307856 385816596 /nfs/dbraw/zinc/81/65/96/385816596.db2.gz HTLFHJKDZMOTFV-UTUOFQBUSA-N 2 1 214.353 1.328 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000336716671 385817105 /nfs/dbraw/zinc/81/71/05/385817105.db2.gz XLCNSDRFGMZOEO-WDEREUQCSA-N 2 1 228.405 1.812 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000647802886 385836116 /nfs/dbraw/zinc/83/61/16/385836116.db2.gz WTBKHNKUKUJXKP-ZDUSSCGKSA-N 2 1 242.326 1.576 20 0 BDADMP C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000647804201 385840925 /nfs/dbraw/zinc/84/09/25/385840925.db2.gz LITXSXRJVJBONK-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1OCC[C@H]1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414956479 385846845 /nfs/dbraw/zinc/84/68/45/385846845.db2.gz ORNPAOGTBVJOLO-GLQYFDAESA-N 2 1 246.354 1.640 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1(O)CCC1 ZINC000284204108 385855968 /nfs/dbraw/zinc/85/59/68/385855968.db2.gz ZBUKZTLMOOOPGZ-UHFFFAOYSA-N 2 1 249.358 1.542 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638076851 385795160 /nfs/dbraw/zinc/79/51/60/385795160.db2.gz OBZDSSFSPVZXKL-LBPRGKRZSA-N 2 1 235.331 1.171 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638076851 385795164 /nfs/dbraw/zinc/79/51/64/385795164.db2.gz OBZDSSFSPVZXKL-LBPRGKRZSA-N 2 1 235.331 1.171 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000338231896 385921298 /nfs/dbraw/zinc/92/12/98/385921298.db2.gz CDDAGISDSNONGY-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000338231896 385921304 /nfs/dbraw/zinc/92/13/04/385921304.db2.gz CDDAGISDSNONGY-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250981856 385930147 /nfs/dbraw/zinc/93/01/47/385930147.db2.gz BKWLRIQURNHCRH-CHWSQXEVSA-N 2 1 226.364 1.474 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000342098411 385926358 /nfs/dbraw/zinc/92/63/58/385926358.db2.gz IHDKJKQWHYEEPL-REWJHTLYSA-N 3 1 237.391 1.045 20 0 BDADMP C1CC1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414872675 385866104 /nfs/dbraw/zinc/86/61/04/385866104.db2.gz WQAAFYTZMFJGJH-AGIUHOORSA-N 2 1 208.349 1.907 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647814502 385868243 /nfs/dbraw/zinc/86/82/43/385868243.db2.gz QVKJFKOUHOARHJ-ZDUSSCGKSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647814502 385868247 /nfs/dbraw/zinc/86/82/47/385868247.db2.gz QVKJFKOUHOARHJ-ZDUSSCGKSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000647827194 385877037 /nfs/dbraw/zinc/87/70/37/385877037.db2.gz VRZCSGFFYLMHKL-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000647830268 385879460 /nfs/dbraw/zinc/87/94/60/385879460.db2.gz FHXHGTSXWNMGJJ-CYBMUJFWSA-N 2 1 219.332 1.295 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414971729 385975588 /nfs/dbraw/zinc/97/55/88/385975588.db2.gz IYUITXYZPAYDDI-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP CO[C@@H](C[N@@H+](C)CCCn1ccnc1)C1CC1 ZINC000425413448 385980278 /nfs/dbraw/zinc/98/02/78/385980278.db2.gz BGFGNRQTNKSDGJ-ZDUSSCGKSA-N 2 1 237.347 1.630 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335039233 385931411 /nfs/dbraw/zinc/93/14/11/385931411.db2.gz AZTOYETYAUMFFJ-KGLIPLIRSA-N 3 1 237.391 1.498 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000335039233 385931418 /nfs/dbraw/zinc/93/14/18/385931418.db2.gz AZTOYETYAUMFFJ-KGLIPLIRSA-N 2 1 237.391 1.498 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000335039233 385931421 /nfs/dbraw/zinc/93/14/21/385931421.db2.gz AZTOYETYAUMFFJ-KGLIPLIRSA-N 2 1 237.391 1.498 20 0 BDADMP C[C@@H](C[NH2+]Cc1cccc(C(N)=O)c1)C[NH+](C)C ZINC000291733794 385932564 /nfs/dbraw/zinc/93/25/64/385932564.db2.gz OAOITIDOBSPTPV-NSHDSACASA-N 2 1 249.358 1.073 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414967958 385933489 /nfs/dbraw/zinc/93/34/89/385933489.db2.gz CDAOINICKFORQU-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414878166 385934429 /nfs/dbraw/zinc/93/44/29/385934429.db2.gz NXTQKIURUHKRDL-FRRDWIJNSA-N 3 1 227.396 1.482 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336749079 385994190 /nfs/dbraw/zinc/99/41/90/385994190.db2.gz UBAFCWIJCZMDGB-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336749079 385994196 /nfs/dbraw/zinc/99/41/96/385994196.db2.gz UBAFCWIJCZMDGB-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP CCC(C)(C)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647864586 385969385 /nfs/dbraw/zinc/96/93/85/385969385.db2.gz XSHTWVVZMKKXPK-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP CCC(C)(C)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647864586 385969392 /nfs/dbraw/zinc/96/93/92/385969392.db2.gz XSHTWVVZMKKXPK-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000414125424 385974431 /nfs/dbraw/zinc/97/44/31/385974431.db2.gz CXUPZBNVAGPTPC-MROQNXINSA-N 2 1 226.364 1.077 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000414125424 385974435 /nfs/dbraw/zinc/97/44/35/385974435.db2.gz CXUPZBNVAGPTPC-MROQNXINSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000414149456 385998287 /nfs/dbraw/zinc/99/82/87/385998287.db2.gz STZOVMYDTRUBQX-MQYQWHSLSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000414149456 385998290 /nfs/dbraw/zinc/99/82/90/385998290.db2.gz STZOVMYDTRUBQX-MQYQWHSLSA-N 2 1 240.391 1.872 20 0 BDADMP C1CC2(C1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCO[C@H]12 ZINC000414881769 385999229 /nfs/dbraw/zinc/99/92/29/385999229.db2.gz AUYOGBHKKWYXRT-UMSGYPCISA-N 2 1 236.359 1.286 20 0 BDADMP Cn1cnc2cc(C[NH2+]C[C@@H]([NH3+])C3CC3)ccc21 ZINC000414882148 386006814 /nfs/dbraw/zinc/00/68/14/386006814.db2.gz BQQFYFSERYJEJU-GFCCVEGCSA-N 2 1 244.342 1.400 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000414176991 386020030 /nfs/dbraw/zinc/02/00/30/386020030.db2.gz IQLNSFNCARFFNK-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1ncc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)o1 ZINC000414187200 386028538 /nfs/dbraw/zinc/02/85/38/386028538.db2.gz QGGJLFHCBYSNSD-MJBXVCDLSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)o1 ZINC000414187200 386028542 /nfs/dbraw/zinc/02/85/42/386028542.db2.gz QGGJLFHCBYSNSD-MJBXVCDLSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)o1 ZINC000414187200 386028546 /nfs/dbraw/zinc/02/85/46/386028546.db2.gz QGGJLFHCBYSNSD-MJBXVCDLSA-N 2 1 249.358 1.945 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414201742 386038106 /nfs/dbraw/zinc/03/81/06/386038106.db2.gz YLNHWPIRVSFHAH-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000054133536 386109991 /nfs/dbraw/zinc/10/99/91/386109991.db2.gz IHDZHVKVRMFEIA-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCCCC1)C1CC1 ZINC000336643040 386120820 /nfs/dbraw/zinc/12/08/20/386120820.db2.gz ALWIUETUKPLFCH-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCCCC1)C1CC1 ZINC000336643040 386120825 /nfs/dbraw/zinc/12/08/25/386120825.db2.gz ALWIUETUKPLFCH-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](CCO)C2CCCC2)CC[NH2+]1 ZINC000414667171 386121081 /nfs/dbraw/zinc/12/10/81/386121081.db2.gz HAUDWLLSKQLXGV-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](N)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648769 386064797 /nfs/dbraw/zinc/06/47/97/386064797.db2.gz BKOGQHNLHCOEAR-AAVRWANBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648769 386064801 /nfs/dbraw/zinc/06/48/01/386064801.db2.gz BKOGQHNLHCOEAR-AAVRWANBSA-N 2 1 239.407 1.576 20 0 BDADMP Cc1ccsc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336772366 386081799 /nfs/dbraw/zinc/08/17/99/386081799.db2.gz VHFPHNYEDHQCFQ-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1ccsc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336772366 386081806 /nfs/dbraw/zinc/08/18/06/386081806.db2.gz VHFPHNYEDHQCFQ-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CCC[N@H+](C(C)C)CC1 ZINC000414673123 386145294 /nfs/dbraw/zinc/14/52/94/386145294.db2.gz QGWBTOBZUWGISJ-CQSZACIVSA-N 2 1 241.423 1.776 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000414683106 386166064 /nfs/dbraw/zinc/16/60/64/386166064.db2.gz AQASNPJCKSUANA-VXGBXAGGSA-N 2 1 241.379 1.090 20 0 BDADMP CC[N@H+](CCC(=O)OC)C[C@H]([NH3+])CC(C)C ZINC000414688560 386176304 /nfs/dbraw/zinc/17/63/04/386176304.db2.gz JGGZAPCIUDTBQB-LLVKDONJSA-N 2 1 230.352 1.245 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@H]([NH3+])CC(C)C ZINC000414688560 386176308 /nfs/dbraw/zinc/17/63/08/386176308.db2.gz JGGZAPCIUDTBQB-LLVKDONJSA-N 2 1 230.352 1.245 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000414690636 386184918 /nfs/dbraw/zinc/18/49/18/386184918.db2.gz HXCQMDMVCHNOOU-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CN(C)C)C2)CC[NH2+]1 ZINC000414690636 386184922 /nfs/dbraw/zinc/18/49/22/386184922.db2.gz HXCQMDMVCHNOOU-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CN(C)C)C2)CC[NH2+]1 ZINC000414690636 386184925 /nfs/dbraw/zinc/18/49/25/386184925.db2.gz HXCQMDMVCHNOOU-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000414988083 386126513 /nfs/dbraw/zinc/12/65/13/386126513.db2.gz LEEGODAJUCERBA-LBPRGKRZSA-N 2 1 222.332 1.831 20 0 BDADMP CC[C@@H](F)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000440764931 386139386 /nfs/dbraw/zinc/13/93/86/386139386.db2.gz NNHJVBPGQZMMNN-CYBMUJFWSA-N 2 1 245.386 1.304 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@]1(C)CCCO1 ZINC000340530974 386143520 /nfs/dbraw/zinc/14/35/20/386143520.db2.gz INNJTWRUIOLIJQ-JSGCOSHPSA-N 2 1 238.375 1.796 20 0 BDADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC[NH3+])C1(C)C ZINC000414697225 386202525 /nfs/dbraw/zinc/20/25/25/386202525.db2.gz IGYCNKWIUHCCRJ-WDEREUQCSA-N 2 1 214.353 1.471 20 0 BDADMP Cc1cnc(CC[N@@H+](C)CCC[NH3+])s1 ZINC000414701469 386205464 /nfs/dbraw/zinc/20/54/64/386205464.db2.gz HIPZUROTVBAKIA-UHFFFAOYSA-N 2 1 213.350 1.275 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC000414702664 386210809 /nfs/dbraw/zinc/21/08/09/386210809.db2.gz JASBLHQZABFZLO-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000647881636 386213181 /nfs/dbraw/zinc/21/31/81/386213181.db2.gz XNDCZTMOHWKTMJ-LBPRGKRZSA-N 2 1 230.355 1.695 20 0 BDADMP [NH3+]CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414704151 386213902 /nfs/dbraw/zinc/21/39/02/386213902.db2.gz JKJIFXOMVPDFIQ-JSGCOSHPSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]CCn2ccnc2)c2ccccc21 ZINC000132045826 386219320 /nfs/dbraw/zinc/21/93/20/386219320.db2.gz RXJQXGXXNHKQFH-UONOGXRCSA-N 2 1 242.326 1.618 20 0 BDADMP CCOC(=O)C[C@@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414710577 386225937 /nfs/dbraw/zinc/22/59/37/386225937.db2.gz LMWSZZZLTUHKBL-NEPJUHHUSA-N 2 1 244.379 1.633 20 0 BDADMP CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414710577 386225940 /nfs/dbraw/zinc/22/59/40/386225940.db2.gz LMWSZZZLTUHKBL-NEPJUHHUSA-N 2 1 244.379 1.633 20 0 BDADMP CCC[C@](C)(CO)[NH2+]CC[NH2+]C(C)(C)C ZINC000414712617 386230781 /nfs/dbraw/zinc/23/07/81/386230781.db2.gz SUBDTOZJVXUHCI-GFCCVEGCSA-N 2 1 216.369 1.515 20 0 BDADMP CCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125254942 386238175 /nfs/dbraw/zinc/23/81/75/386238175.db2.gz DPBFKFOMSOCFDY-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000414717454 386238539 /nfs/dbraw/zinc/23/85/39/386238539.db2.gz ZLMMUZUVFGPIFE-CYBMUJFWSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccon2)CC[NH2+]1 ZINC000414717196 386240817 /nfs/dbraw/zinc/24/08/17/386240817.db2.gz XVPCDMSEZGUSQJ-GHMZBOCLSA-N 2 1 223.320 1.495 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccon2)CC[NH2+]1 ZINC000414717198 386241371 /nfs/dbraw/zinc/24/13/71/386241371.db2.gz XVPCDMSEZGUSQJ-MNOVXSKESA-N 2 1 223.320 1.495 20 0 BDADMP CC(C)(C)NCC[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415002365 386243708 /nfs/dbraw/zinc/24/37/08/386243708.db2.gz MDJXCVSCSXJZLK-RYUDHWBXSA-N 2 1 227.396 1.482 20 0 BDADMP CC(C)(C)[NH2+]CCNC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415002365 386243714 /nfs/dbraw/zinc/24/37/14/386243714.db2.gz MDJXCVSCSXJZLK-RYUDHWBXSA-N 2 1 227.396 1.482 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000336645577 386250995 /nfs/dbraw/zinc/25/09/95/386250995.db2.gz IEBHWVHKIMWCST-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000162760660 386257913 /nfs/dbraw/zinc/25/79/13/386257913.db2.gz RBZLZAAZDBDVEM-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH+](C)CCc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000263973027 386197670 /nfs/dbraw/zinc/19/76/70/386197670.db2.gz YDDZEUZJLMTEOR-UHFFFAOYSA-N 2 1 249.358 1.291 20 0 BDADMP c1cc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)ccn1 ZINC000647987990 386293764 /nfs/dbraw/zinc/29/37/64/386293764.db2.gz BRAQWEUERNQMIT-TZMCWYRMSA-N 2 1 231.343 1.828 20 0 BDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647886672 386299617 /nfs/dbraw/zinc/29/96/17/386299617.db2.gz HDTOPBWGMPDFNO-YNEHKIRRSA-N 2 1 240.391 1.731 20 0 BDADMP CCCc1csc(C[NH2+][C@@H](C)CC[NH3+])n1 ZINC000414901885 386304469 /nfs/dbraw/zinc/30/44/69/386304469.db2.gz XSXUMMZNODDGEO-VIFPVBQESA-N 2 1 227.377 1.923 20 0 BDADMP CN(C)c1ccccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414901479 386306555 /nfs/dbraw/zinc/30/65/55/386306555.db2.gz XBTYHNGASOOEGV-ZDUSSCGKSA-N 2 1 233.359 1.580 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000335260615 386317884 /nfs/dbraw/zinc/31/78/84/386317884.db2.gz ZKUXYCNXZXDZAQ-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000414738412 386319329 /nfs/dbraw/zinc/31/93/29/386319329.db2.gz JGWWZKPYOMLYQV-UTUOFQBUSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)N(C)C[C@H]2C)CC[NH2+]1 ZINC000414740954 386320972 /nfs/dbraw/zinc/32/09/72/386320972.db2.gz LYJQWQGZZFUPOG-XJFOESAGSA-N 2 1 239.407 1.399 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000335262209 386322831 /nfs/dbraw/zinc/32/28/31/386322831.db2.gz RGLIHYZSIDUHLU-WCQYABFASA-N 2 1 219.332 1.620 20 0 BDADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647884685 386264737 /nfs/dbraw/zinc/26/47/37/386264737.db2.gz WXLFYJPEBSIYHQ-NWDGAFQWSA-N 2 1 234.343 1.995 20 0 BDADMP Cc1cnc(C[NH+]2CCC(C[NH+](C)C)CC2)nc1 ZINC000336685726 386344096 /nfs/dbraw/zinc/34/40/96/386344096.db2.gz ABZIKWQWLACDIC-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CCCO)CC1 ZINC000414746636 386346331 /nfs/dbraw/zinc/34/63/31/386346331.db2.gz SNSVICWDPOLZRH-CQSZACIVSA-N 2 1 242.407 1.844 20 0 BDADMP CC[C@@H]1CCC[C@@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000414905099 386351690 /nfs/dbraw/zinc/35/16/90/386351690.db2.gz AQWYHDSNDNYPDU-CHWSQXEVSA-N 2 1 228.380 1.456 20 0 BDADMP CC[C@@H]1CCC[C@@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000414905099 386351695 /nfs/dbraw/zinc/35/16/95/386351695.db2.gz AQWYHDSNDNYPDU-CHWSQXEVSA-N 2 1 228.380 1.456 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000414750899 386377900 /nfs/dbraw/zinc/37/79/00/386377900.db2.gz ZDDNRPZPXHNTBR-XDQVBPFNSA-N 2 1 242.407 1.841 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414742907 386330372 /nfs/dbraw/zinc/33/03/72/386330372.db2.gz UQKVXOMJVGDKIO-NSHDSACASA-N 2 1 222.336 1.279 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414742907 386330384 /nfs/dbraw/zinc/33/03/84/386330384.db2.gz UQKVXOMJVGDKIO-NSHDSACASA-N 2 1 222.336 1.279 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414742907 386330394 /nfs/dbraw/zinc/33/03/94/386330394.db2.gz UQKVXOMJVGDKIO-NSHDSACASA-N 2 1 222.336 1.279 20 0 BDADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)no1 ZINC000335275491 386336598 /nfs/dbraw/zinc/33/65/98/386336598.db2.gz BGGRZNQXYQXGIC-LLVKDONJSA-N 2 1 249.358 1.947 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC1CCCCC1 ZINC000519411365 386436834 /nfs/dbraw/zinc/43/68/34/386436834.db2.gz CHWPVKJNWTZWGO-CYBMUJFWSA-N 2 1 228.380 1.469 20 0 BDADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647990745 386392726 /nfs/dbraw/zinc/39/27/26/386392726.db2.gz BTECKEBVLRDDJU-CHWSQXEVSA-N 2 1 248.374 1.773 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CCn1cccn1)CC[NH2+]CC2 ZINC000335279669 386393742 /nfs/dbraw/zinc/39/37/42/386393742.db2.gz JMIOCHPKYOLJHP-ZDUSSCGKSA-N 2 1 248.374 1.347 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000414754617 386397372 /nfs/dbraw/zinc/39/73/72/386397372.db2.gz GILNVYLFAJETRO-AGIUHOORSA-N 2 1 227.396 1.384 20 0 BDADMP CCC[C@@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414756514 386400402 /nfs/dbraw/zinc/40/04/02/386400402.db2.gz JXGDUYUMNZEIAX-KBPBESRZSA-N 2 1 242.407 1.987 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C(C)C)[C@H](C)C1 ZINC000347437028 386402417 /nfs/dbraw/zinc/40/24/17/386402417.db2.gz XDBAKSAUJIYMER-RDBSUJKOSA-N 2 1 242.407 1.977 20 0 BDADMP C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442664329 386416419 /nfs/dbraw/zinc/41/64/19/386416419.db2.gz WILWGRZRCPHTCA-QWHCGFSZSA-N 2 1 248.374 1.107 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(CC[NH2+]C(C)(C)C)[C@H]2C1 ZINC000414761327 386417569 /nfs/dbraw/zinc/41/75/69/386417569.db2.gz SQDYTPKJKJSUBW-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000414761944 386421277 /nfs/dbraw/zinc/42/12/77/386421277.db2.gz VCJJASVTVYFENC-XHJNMGKDSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000414762726 386425550 /nfs/dbraw/zinc/42/55/50/386425550.db2.gz WNQWHNHIKSKTGC-QWRGUYRKSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000414762726 386425562 /nfs/dbraw/zinc/42/55/62/386425562.db2.gz WNQWHNHIKSKTGC-QWRGUYRKSA-N 2 1 214.353 1.063 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1(O)CCC1 ZINC000336713551 386428930 /nfs/dbraw/zinc/42/89/30/386428930.db2.gz PUHPKFMATMKKQU-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1(O)CCC1 ZINC000336713551 386428933 /nfs/dbraw/zinc/42/89/33/386428933.db2.gz PUHPKFMATMKKQU-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1(O)CCC1 ZINC000336713551 386428938 /nfs/dbraw/zinc/42/89/38/386428938.db2.gz PUHPKFMATMKKQU-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414910347 386435644 /nfs/dbraw/zinc/43/56/44/386435644.db2.gz CLJLGUDFTAHKQK-AAVRWANBSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@H+](CC[NH3+])CCO ZINC000414912176 386467098 /nfs/dbraw/zinc/46/70/98/386467098.db2.gz JNNBGVCSKXSBPB-VXGBXAGGSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](CC[NH3+])CCO ZINC000414912176 386467105 /nfs/dbraw/zinc/46/71/05/386467105.db2.gz JNNBGVCSKXSBPB-VXGBXAGGSA-N 2 1 214.353 1.066 20 0 BDADMP C[N@@H+](CCOCC1CC1)CCC1CC[NH2+]CC1 ZINC000094989931 386474476 /nfs/dbraw/zinc/47/44/76/386474476.db2.gz GAQBBMZGQRCVAI-UHFFFAOYSA-N 2 1 240.391 1.735 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415011145 386484613 /nfs/dbraw/zinc/48/46/13/386484613.db2.gz QGDSSTSRHXWITB-NXEZZACHSA-N 2 1 235.331 1.470 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415011147 386485187 /nfs/dbraw/zinc/48/51/87/386485187.db2.gz QGDSSTSRHXWITB-UWVGGRQHSA-N 2 1 235.331 1.470 20 0 BDADMP Cc1c[nH]nc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023815 386514292 /nfs/dbraw/zinc/51/42/92/386514292.db2.gz MBYRZGXNGSITTN-HAQNSBGRSA-N 2 1 236.363 1.573 20 0 BDADMP CCc1cc(OC)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415030889 386518472 /nfs/dbraw/zinc/51/84/72/386518472.db2.gz FMUREJPBSOWERN-FICVDOATSA-N 2 1 246.354 1.565 20 0 BDADMP Cc1cc(C)cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415036834 386524161 /nfs/dbraw/zinc/52/41/61/386524161.db2.gz KGVKFFDRZVEQDJ-OAHLLOKOSA-N 2 1 248.370 1.772 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770219 386454925 /nfs/dbraw/zinc/45/49/25/386454925.db2.gz XVGDKWXUCNRTSF-NEPJUHHUSA-N 2 1 236.363 1.240 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336726931 386464581 /nfs/dbraw/zinc/46/45/81/386464581.db2.gz VPWGECCVCDIYSQ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336726931 386464586 /nfs/dbraw/zinc/46/45/86/386464586.db2.gz VPWGECCVCDIYSQ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977611 386577545 /nfs/dbraw/zinc/57/75/45/386577545.db2.gz FEVXJIIRLGZDJT-UONOGXRCSA-N 2 1 239.407 1.308 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000415078748 386589706 /nfs/dbraw/zinc/58/97/06/386589706.db2.gz GXVUQZAXBHBENI-MNOVXSKESA-N 2 1 224.373 1.878 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415080546 386590693 /nfs/dbraw/zinc/59/06/93/386590693.db2.gz YTESVKJAAUFNKP-RYUDHWBXSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414799972 386592084 /nfs/dbraw/zinc/59/20/84/386592084.db2.gz KKSNVLIYXOSRMM-YIYPIFLZSA-N 3 1 239.407 1.624 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414799970 386593698 /nfs/dbraw/zinc/59/36/98/386593698.db2.gz KKSNVLIYXOSRMM-RFGFWPKPSA-N 3 1 239.407 1.624 20 0 BDADMP Cc1nn(C)c2ncc(C[N@H+](C)CCC[NH3+])cc12 ZINC000519711137 386541705 /nfs/dbraw/zinc/54/17/05/386541705.db2.gz HSONWOYDWOTQDX-UHFFFAOYSA-N 2 1 247.346 1.057 20 0 BDADMP Cc1nn(C)c2ncc(C[N@@H+](C)CCC[NH3+])cc12 ZINC000519711137 386541711 /nfs/dbraw/zinc/54/17/11/386541711.db2.gz HSONWOYDWOTQDX-UHFFFAOYSA-N 2 1 247.346 1.057 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414789965 386543794 /nfs/dbraw/zinc/54/37/94/386543794.db2.gz GCUMDESEXONOCB-CQSZACIVSA-N 2 1 249.358 1.718 20 0 BDADMP COC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200272 386546584 /nfs/dbraw/zinc/54/65/84/386546584.db2.gz WLWCOXDTFFYZPI-JQWIXIFHSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415068003 386552203 /nfs/dbraw/zinc/55/22/03/386552203.db2.gz LXWYNIGBTQBTJK-GXTWGEPZSA-N 2 1 236.359 1.117 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@H]1CCC[NH2+]C1 ZINC000415081627 386597520 /nfs/dbraw/zinc/59/75/20/386597520.db2.gz LDFBKTUHJQJEIS-LBPRGKRZSA-N 2 1 228.380 1.517 20 0 BDADMP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1Cl ZINC000415071923 386562480 /nfs/dbraw/zinc/56/24/80/386562480.db2.gz UTPXJNMJYJJTPL-NSHDSACASA-N 2 1 242.750 1.400 20 0 BDADMP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1Cl ZINC000415071923 386562487 /nfs/dbraw/zinc/56/24/87/386562487.db2.gz UTPXJNMJYJJTPL-NSHDSACASA-N 2 1 242.750 1.400 20 0 BDADMP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCC[NH2+]1 ZINC000335509212 386642631 /nfs/dbraw/zinc/64/26/31/386642631.db2.gz BGTWQGIHJLCYHP-BZCXBAJXSA-N 2 1 200.301 1.607 20 0 BDADMP COCC1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCC1 ZINC000643378764 386654402 /nfs/dbraw/zinc/65/44/02/386654402.db2.gz JBDANDBNVKFUAX-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000414801841 386602106 /nfs/dbraw/zinc/60/21/06/386602106.db2.gz MIEVBNZTVPWAKO-WCBMZHEXSA-N 2 1 244.289 1.495 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000228722646 386604082 /nfs/dbraw/zinc/60/40/82/386604082.db2.gz UGJAGLAQHUBJKV-CQSZACIVSA-N 2 1 236.359 1.397 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414805704 386606310 /nfs/dbraw/zinc/60/63/10/386606310.db2.gz MKLXDWBAKVTFQP-NEPJUHHUSA-N 2 1 214.353 1.374 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CC[NH2+]C2)cc(C)c1O ZINC000415092754 386610976 /nfs/dbraw/zinc/61/09/76/386610976.db2.gz BDHZXOUPDOIHLI-ZDUSSCGKSA-N 2 1 234.343 1.503 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414807840 386613157 /nfs/dbraw/zinc/61/31/57/386613157.db2.gz RPCNWIIDEDMDNZ-AWEZNQCLSA-N 2 1 234.343 1.912 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000415107746 386616328 /nfs/dbraw/zinc/61/63/28/386616328.db2.gz JPZWYYSNDWXWTN-DCAQKATOSA-N 2 1 212.362 1.176 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])C[C@@H]1C ZINC000414923748 386616380 /nfs/dbraw/zinc/61/63/80/386616380.db2.gz FTICLBCDIAWVBB-WHOHXGKFSA-N 2 1 242.363 1.291 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414818881 386668411 /nfs/dbraw/zinc/66/84/11/386668411.db2.gz WYKSWHBDFCDINH-CYBMUJFWSA-N 2 1 249.358 1.393 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2C1 ZINC000645004647 386670128 /nfs/dbraw/zinc/67/01/28/386670128.db2.gz VJQJQVFXEILQRR-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2C1 ZINC000645004647 386670133 /nfs/dbraw/zinc/67/01/33/386670133.db2.gz VJQJQVFXEILQRR-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2C1 ZINC000645004647 386670137 /nfs/dbraw/zinc/67/01/37/386670137.db2.gz VJQJQVFXEILQRR-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000414926794 386674114 /nfs/dbraw/zinc/67/41/14/386674114.db2.gz KYANXPBBAVGBEQ-QWHCGFSZSA-N 2 1 240.391 1.781 20 0 BDADMP CCc1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414823797 386680763 /nfs/dbraw/zinc/68/07/63/386680763.db2.gz DWODGWSLHQGUTO-JTQLQIEISA-N 2 1 239.388 1.795 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+]C(C1CCC1)C1CCC1 ZINC000324947442 386697226 /nfs/dbraw/zinc/69/72/26/386697226.db2.gz ZOUXTBXOBLVYIR-ZDUSSCGKSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CC1(C)COC1 ZINC000337284597 386702798 /nfs/dbraw/zinc/70/27/98/386702798.db2.gz ZCKQDGFHBBNRCF-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP CC(C)(C)[NH2+]CCNCC[C@H]1CCC[NH2+]C1 ZINC000414836567 386732695 /nfs/dbraw/zinc/73/26/95/386732695.db2.gz JPWUMLIHWTVNRU-GFCCVEGCSA-N 2 1 227.396 1.354 20 0 BDADMP CC(C)(C)NCC[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414836567 386732702 /nfs/dbraw/zinc/73/27/02/386732702.db2.gz JPWUMLIHWTVNRU-GFCCVEGCSA-N 2 1 227.396 1.354 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414842108 386747568 /nfs/dbraw/zinc/74/75/68/386747568.db2.gz NRVMWZIWQALHIZ-JHJVBQTASA-N 3 1 227.396 1.338 20 0 BDADMP C[C@H]1C[C@@H](C[NH2+]CC2(N)CCCCC2)CC[NH2+]1 ZINC000414842839 386755146 /nfs/dbraw/zinc/75/51/46/386755146.db2.gz NAHIAURLQRZSLU-STQMWFEESA-N 2 1 239.407 1.626 20 0 BDADMP Cc1ncc(CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cn1 ZINC000344835770 386756609 /nfs/dbraw/zinc/75/66/09/386756609.db2.gz JODWVQHLVWVTIN-HZMBPMFUSA-N 2 1 246.358 1.357 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414931219 386759972 /nfs/dbraw/zinc/75/99/72/386759972.db2.gz QYKIMCNZAAYVDW-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP NC1(C[NH2+]C2CCC(C[NH3+])CC2)CCCCC1 ZINC000414844309 386763447 /nfs/dbraw/zinc/76/34/47/386763447.db2.gz PKFOJORKXZYGOK-UHFFFAOYSA-N 2 1 239.407 1.755 20 0 BDADMP CC(C)[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414931632 386764618 /nfs/dbraw/zinc/76/46/18/386764618.db2.gz QPMAUVIEAXRFHT-UHFFFAOYSA-N 2 1 235.322 1.043 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166224229 386765095 /nfs/dbraw/zinc/76/50/95/386765095.db2.gz KRSCNJXARALWMJ-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414931856 386766676 /nfs/dbraw/zinc/76/66/76/386766676.db2.gz RYHJOQDADPZMRC-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414838907 386741645 /nfs/dbraw/zinc/74/16/45/386741645.db2.gz KXQZDYFTBBTSFG-LLVKDONJSA-N 2 1 244.379 1.539 20 0 BDADMP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000647965998 386794991 /nfs/dbraw/zinc/79/49/91/386794991.db2.gz DEZKGAOBQOCADO-CQSZACIVSA-N 3 1 239.407 1.437 20 0 BDADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000647965998 386794998 /nfs/dbraw/zinc/79/49/98/386794998.db2.gz DEZKGAOBQOCADO-CQSZACIVSA-N 3 1 239.407 1.437 20 0 BDADMP CCSCC[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC000336668371 386795120 /nfs/dbraw/zinc/79/51/20/386795120.db2.gz WYCFYXPAALKTGT-VHSXEESVSA-N 2 1 204.383 1.797 20 0 BDADMP CCSCC[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC000336668371 386795122 /nfs/dbraw/zinc/79/51/22/386795122.db2.gz WYCFYXPAALKTGT-VHSXEESVSA-N 2 1 204.383 1.797 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000396601070 386787737 /nfs/dbraw/zinc/78/77/37/386787737.db2.gz AURDGLJZAUVHLZ-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414935243 386807240 /nfs/dbraw/zinc/80/72/40/386807240.db2.gz VBQJAUJZOGPRGS-GKQMSVHHSA-N 2 1 226.270 1.915 20 0 BDADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC(F)(F)C[NH3+] ZINC000414935355 386807286 /nfs/dbraw/zinc/80/72/86/386807286.db2.gz VMYJUVHWFSPXDP-QWRGUYRKSA-N 2 1 249.349 1.481 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(OC)cc(C)n1 ZINC000414846117 386810052 /nfs/dbraw/zinc/81/00/52/386810052.db2.gz UDGJSCQCQRIDLC-SNVBAGLBSA-N 2 1 237.347 1.344 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000336784905 386829178 /nfs/dbraw/zinc/82/91/78/386829178.db2.gz ADMFGSCTYPHCQX-XQQFMLRXSA-N 2 1 249.358 1.595 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000417882533 386846785 /nfs/dbraw/zinc/84/67/85/386846785.db2.gz VKAAKDFIQQNYKR-GFCCVEGCSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000334787870 386849550 /nfs/dbraw/zinc/84/95/50/386849550.db2.gz YPSNOVMPDQIKDL-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[NH3+])Cc1ccccc1 ZINC000414937523 386850011 /nfs/dbraw/zinc/85/00/11/386850011.db2.gz CYQUDSRKCYOJFU-RYUDHWBXSA-N 2 1 206.333 1.802 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000331528723 386866125 /nfs/dbraw/zinc/86/61/25/386866125.db2.gz DAWKCDDJGRJXEC-MJBXVCDLSA-N 2 1 239.407 1.768 20 0 BDADMP C[C@@H](CC[NH+](C)C)Nc1nc(N(C)C)cc[nH+]1 ZINC000301704178 386869717 /nfs/dbraw/zinc/86/97/17/386869717.db2.gz ATGVCARRJYMWEG-JTQLQIEISA-N 2 1 237.351 1.295 20 0 BDADMP COC1CCC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000334832655 386871398 /nfs/dbraw/zinc/87/13/98/386871398.db2.gz GXSLNISZNGJCHY-IKWCTNDRSA-N 2 1 226.364 1.674 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000334834088 386873034 /nfs/dbraw/zinc/87/30/34/386873034.db2.gz XTABFOWNYYRJPC-WDNDVIMCSA-N 2 1 216.328 1.611 20 0 BDADMP C[NH2+]CCCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156650425 386875475 /nfs/dbraw/zinc/87/54/75/386875475.db2.gz RDUYKMCPYUXVCS-NEPJUHHUSA-N 3 1 213.369 1.010 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334866734 386923978 /nfs/dbraw/zinc/92/39/78/386923978.db2.gz CFBNXJIRPGGVLR-OCCSQVGLSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000334820050 386947471 /nfs/dbraw/zinc/94/74/71/386947471.db2.gz LCTKJRZYXZANSY-CABZTGNLSA-N 2 1 236.363 1.443 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1c[nH+]ccc1N ZINC000332435930 386979595 /nfs/dbraw/zinc/97/95/95/386979595.db2.gz IOJSGGRQHFPAQI-AXTRIDKLSA-N 2 1 235.331 1.304 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCOC1 ZINC000398993917 387034885 /nfs/dbraw/zinc/03/48/85/387034885.db2.gz QLENBNDODMFPFZ-RYUDHWBXSA-N 2 1 214.353 1.328 20 0 BDADMP C[N@H+](CCOCC(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000126770786 387046916 /nfs/dbraw/zinc/04/69/16/387046916.db2.gz XYMSVQYTWKVFKN-SECBINFHSA-N 2 1 240.269 1.234 20 0 BDADMP C[N@@H+](CCOCC(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000126770786 387046921 /nfs/dbraw/zinc/04/69/21/387046921.db2.gz XYMSVQYTWKVFKN-SECBINFHSA-N 2 1 240.269 1.234 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc1 ZINC000126726838 387051328 /nfs/dbraw/zinc/05/13/28/387051328.db2.gz DBSWSTIUFVOFMN-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@](C)(O)C1CC1 ZINC000353076381 387058075 /nfs/dbraw/zinc/05/80/75/387058075.db2.gz AZHXFJJDDFXSPY-AWEZNQCLSA-N 2 1 249.358 1.398 20 0 BDADMP NC[C@@H]1c2ccccc2CC[N@H+]1CC1CC1 ZINC000019929465 387063333 /nfs/dbraw/zinc/06/33/33/387063333.db2.gz NIGWUWKHQLYCOZ-CQSZACIVSA-N 2 1 216.328 1.955 20 0 BDADMP NC[C@@H]1c2ccccc2CC[N@@H+]1CC1CC1 ZINC000019929465 387063337 /nfs/dbraw/zinc/06/33/37/387063337.db2.gz NIGWUWKHQLYCOZ-CQSZACIVSA-N 2 1 216.328 1.955 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000398885337 387011812 /nfs/dbraw/zinc/01/18/12/387011812.db2.gz KJAGTAXMBZDCIW-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000126353048 387016483 /nfs/dbraw/zinc/01/64/83/387016483.db2.gz NEKKISLGMGJKGR-TXEJJXNPSA-N 2 1 249.358 1.581 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000334980288 387068657 /nfs/dbraw/zinc/06/86/57/387068657.db2.gz MBPJUUKJQFVGAP-RYUDHWBXSA-N 2 1 235.331 1.496 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334983744 387072105 /nfs/dbraw/zinc/07/21/05/387072105.db2.gz NKVCOHOCKFBTJU-GXTWGEPZSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334983744 387072109 /nfs/dbraw/zinc/07/21/09/387072109.db2.gz NKVCOHOCKFBTJU-GXTWGEPZSA-N 2 1 249.358 1.947 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250350791 387114208 /nfs/dbraw/zinc/11/42/08/387114208.db2.gz JHKDCWHDJLVDOL-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000250350791 387114212 /nfs/dbraw/zinc/11/42/12/387114212.db2.gz JHKDCWHDJLVDOL-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]([NH2+][C@H]1CCSC1)c1c[nH+]ccc1N ZINC000335025473 387116235 /nfs/dbraw/zinc/11/62/35/387116235.db2.gz SWMFGGOZFCEJHL-IUCAKERBSA-N 2 1 223.345 1.650 20 0 BDADMP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335029221 387122790 /nfs/dbraw/zinc/12/27/90/387122790.db2.gz GYNLAMSIEATLLI-ZFWWWQNUSA-N 2 1 246.354 1.642 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000335030674 387124503 /nfs/dbraw/zinc/12/45/03/387124503.db2.gz NTRSOWSIEUTEGM-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000423298876 387129086 /nfs/dbraw/zinc/12/90/86/387129086.db2.gz PBLZOVWFHYUUPX-MCIONIFRSA-N 2 1 241.423 1.824 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCCC[NH3+] ZINC000423298562 387129811 /nfs/dbraw/zinc/12/98/11/387129811.db2.gz ONTXMEUURLBYGR-VXGBXAGGSA-N 3 1 215.385 1.611 20 0 BDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423305485 387141968 /nfs/dbraw/zinc/14/19/68/387141968.db2.gz QWFBPXOGOYJUHH-JTQLQIEISA-N 2 1 248.326 1.328 20 0 BDADMP COc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1F ZINC000423305507 387142308 /nfs/dbraw/zinc/14/23/08/387142308.db2.gz QWZGSHACCWXKDO-SECBINFHSA-N 2 1 238.306 1.704 20 0 BDADMP CC(C)C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccn1 ZINC000423308692 387142630 /nfs/dbraw/zinc/14/26/30/387142630.db2.gz YDUOEGIKOSJVEI-CQSZACIVSA-N 2 1 233.359 1.978 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423308870 387143350 /nfs/dbraw/zinc/14/33/50/387143350.db2.gz KFHLORFQEULZTD-NWDGAFQWSA-N 2 1 213.369 1.058 20 0 BDADMP CCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423309902 387146918 /nfs/dbraw/zinc/14/69/18/387146918.db2.gz MLFLUWWGCFCKIY-YNEHKIRRSA-N 2 1 227.396 1.304 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353391375 387193175 /nfs/dbraw/zinc/19/31/75/387193175.db2.gz CDNJBYSEHDOWBB-XQQFMLRXSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+](Cc1cccs1)C[C@](C)(O)C[NH2+]C ZINC000571887258 387193348 /nfs/dbraw/zinc/19/33/48/387193348.db2.gz AXNVXVODYLZTPJ-GFCCVEGCSA-N 2 1 242.388 1.540 20 0 BDADMP CC[N@@H+](Cc1cccs1)C[C@](C)(O)C[NH2+]C ZINC000571887258 387193352 /nfs/dbraw/zinc/19/33/52/387193352.db2.gz AXNVXVODYLZTPJ-GFCCVEGCSA-N 2 1 242.388 1.540 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000423331226 387175674 /nfs/dbraw/zinc/17/56/74/387175674.db2.gz PYGPBAGBAXFDCX-GHMZBOCLSA-N 2 1 245.330 1.265 20 0 BDADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)[C@H]2CCC[C@H]21 ZINC000423334506 387180904 /nfs/dbraw/zinc/18/09/04/387180904.db2.gz WNXPVNBVBARTQQ-ZOBORPQBSA-N 2 1 237.391 1.186 20 0 BDADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423338548 387188206 /nfs/dbraw/zinc/18/82/06/387188206.db2.gz WAWUPMYZFMMCIJ-WZRBSPASSA-N 2 1 222.332 1.699 20 0 BDADMP CCOc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000162016410 387137534 /nfs/dbraw/zinc/13/75/34/387137534.db2.gz KHVBCAMLVMNMPB-JTQLQIEISA-N 2 1 208.305 1.522 20 0 BDADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423357343 387208799 /nfs/dbraw/zinc/20/87/99/387208799.db2.gz ABGWSNOSCURIOE-QJPTWQEYSA-N 2 1 228.380 1.907 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423360422 387212411 /nfs/dbraw/zinc/21/24/11/387212411.db2.gz LJTLKKLACYHJSP-TUAOUCFPSA-N 3 1 213.369 1.092 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)[C@H]1CCOC1 ZINC000423362097 387213026 /nfs/dbraw/zinc/21/30/26/387213026.db2.gz MSZXRLVPPKLAEJ-ZDEQEGDKSA-N 2 1 226.364 1.389 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)[C@H]1CCOC1 ZINC000423362095 387213757 /nfs/dbraw/zinc/21/37/57/387213757.db2.gz MSZXRLVPPKLAEJ-MROQNXINSA-N 2 1 226.364 1.389 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423360267 387214144 /nfs/dbraw/zinc/21/41/44/387214144.db2.gz QIDIIXXBZGRLRC-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423426277 387252895 /nfs/dbraw/zinc/25/28/95/387252895.db2.gz HODNGFNXMKTEFN-LJISPDSOSA-N 2 1 228.339 1.790 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@H+]1C1CC1 ZINC000423364140 387215641 /nfs/dbraw/zinc/21/56/41/387215641.db2.gz ATVSQSNRDRWKBH-LPWJVIDDSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CN1C1CC1 ZINC000423364140 387215646 /nfs/dbraw/zinc/21/56/46/387215646.db2.gz ATVSQSNRDRWKBH-LPWJVIDDSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H](C[NH3+])N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423362869 387216188 /nfs/dbraw/zinc/21/61/88/387216188.db2.gz ILEDWMWURYAKEZ-GUTXKFCHSA-N 2 1 247.386 1.586 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423363495 387216399 /nfs/dbraw/zinc/21/63/99/387216399.db2.gz JETCSRWPZIOXDC-RYUDHWBXSA-N 2 1 244.342 1.870 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423367346 387218047 /nfs/dbraw/zinc/21/80/47/387218047.db2.gz MEYLSLJUEXQJBB-YFKTTZPYSA-N 2 1 224.348 1.271 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000423369704 387223689 /nfs/dbraw/zinc/22/36/89/387223689.db2.gz SZNZXRBOPDYZIU-GRYCIOLGSA-N 2 1 208.349 1.907 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H](COC)C1CCOCC1 ZINC000423370675 387223855 /nfs/dbraw/zinc/22/38/55/387223855.db2.gz DUAJVBYZQMFINW-DGCLKSJQSA-N 2 1 244.379 1.016 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423372351 387227568 /nfs/dbraw/zinc/22/75/68/387227568.db2.gz BERKXHNXRUOXNF-OLZOCXBDSA-N 2 1 238.379 1.495 20 0 BDADMP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1cnn(C)c1 ZINC000572111828 387235968 /nfs/dbraw/zinc/23/59/68/387235968.db2.gz XTKLHFMVNHJAAM-CYBMUJFWSA-N 2 1 238.379 1.849 20 0 BDADMP c1cnn([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000336409499 387237830 /nfs/dbraw/zinc/23/78/30/387237830.db2.gz YNOMDLSGJMVJSR-UONOGXRCSA-N 2 1 248.374 1.520 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000423419139 387248507 /nfs/dbraw/zinc/24/85/07/387248507.db2.gz APGUUTLKMDXYAK-HWNAMQAFSA-N 2 1 220.291 1.694 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(CO)c1 ZINC000423419572 387248936 /nfs/dbraw/zinc/24/89/36/387248936.db2.gz BBMRXDNQNVDUPN-QQUHWDOBSA-N 2 1 232.327 1.047 20 0 BDADMP C[N@H+]1CC[C@H](NCC(F)(F)CN)[C@@H]2CCC[C@H]21 ZINC000423349437 387201048 /nfs/dbraw/zinc/20/10/48/387201048.db2.gz WTMMRSXFDDNIIY-GARJFASQSA-N 2 1 247.333 1.043 20 0 BDADMP C[N@@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@@H]2CCC[C@H]21 ZINC000423349437 387201051 /nfs/dbraw/zinc/20/10/51/387201051.db2.gz WTMMRSXFDDNIIY-GARJFASQSA-N 2 1 247.333 1.043 20 0 BDADMP C[N@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@@H]2CCC[C@H]21 ZINC000423349437 387201054 /nfs/dbraw/zinc/20/10/54/387201054.db2.gz WTMMRSXFDDNIIY-GARJFASQSA-N 2 1 247.333 1.043 20 0 BDADMP COCCC1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000090536358 387201138 /nfs/dbraw/zinc/20/11/38/387201138.db2.gz KTXSPGIXAQWXCU-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423461843 387310622 /nfs/dbraw/zinc/31/06/22/387310622.db2.gz TWTHMFNFURVEFS-SWHYSGLUSA-N 2 1 233.359 1.848 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000572249381 387279000 /nfs/dbraw/zinc/27/90/00/387279000.db2.gz HPYIEJBQYNKVQK-GFCCVEGCSA-N 2 1 248.370 1.535 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OC)c1 ZINC000423437866 387288094 /nfs/dbraw/zinc/28/80/94/387288094.db2.gz QYPUWPZHILOMGQ-BARDWOONSA-N 2 1 246.354 1.954 20 0 BDADMP Cc1ccsc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423440591 387290158 /nfs/dbraw/zinc/29/01/58/387290158.db2.gz TZFGJLZBYVGMAM-UKKRHICBSA-N 2 1 222.357 1.925 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)[C@H](C)[NH3+] ZINC000423442240 387292231 /nfs/dbraw/zinc/29/22/31/387292231.db2.gz JSFPJCWXXQVSAN-AXFHLTTASA-N 2 1 222.332 1.565 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000423445527 387295061 /nfs/dbraw/zinc/29/50/61/387295061.db2.gz XZXCUAYPPOWPMH-XEZLXBQYSA-N 2 1 202.301 1.555 20 0 BDADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423453706 387301925 /nfs/dbraw/zinc/30/19/25/387301925.db2.gz JVPFCWRCVYQISA-VNUKXSOBSA-N 2 1 246.354 1.570 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423454251 387302326 /nfs/dbraw/zinc/30/23/26/387302326.db2.gz BYPBILJPSJKJLE-SYQHCUMBSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423454251 387302329 /nfs/dbraw/zinc/30/23/29/387302329.db2.gz BYPBILJPSJKJLE-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423455593 387304915 /nfs/dbraw/zinc/30/49/15/387304915.db2.gz MQTIUKDALPWDGA-XJFOESAGSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000423455593 387304918 /nfs/dbraw/zinc/30/49/18/387304918.db2.gz MQTIUKDALPWDGA-XJFOESAGSA-N 2 1 239.407 1.576 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000353997168 387308298 /nfs/dbraw/zinc/30/82/98/387308298.db2.gz QMPAYROBLSJJCW-NEPJUHHUSA-N 2 1 237.347 1.598 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC000360549299 387308900 /nfs/dbraw/zinc/30/89/00/387308900.db2.gz FJKBEOXIRLPNTL-ZDUSSCGKSA-N 2 1 224.348 1.098 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000423522750 387355246 /nfs/dbraw/zinc/35/52/46/387355246.db2.gz RPHOSLVZSOJTNL-UONOGXRCSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H]1CCOC1 ZINC000423531461 387359694 /nfs/dbraw/zinc/35/96/94/387359694.db2.gz QJKRNKCRCBDTGU-UHTWSYAYSA-N 2 1 226.364 1.519 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1(C)C ZINC000423544428 387367760 /nfs/dbraw/zinc/36/77/60/387367760.db2.gz DANCANUIFGNDDE-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000423545670 387369990 /nfs/dbraw/zinc/36/99/90/387369990.db2.gz YHEVFNWONYCMSS-GXTWGEPZSA-N 2 1 237.391 1.416 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCCNC1 ZINC000423553596 387372823 /nfs/dbraw/zinc/37/28/23/387372823.db2.gz KMSOSAYYCHGSBP-VXGBXAGGSA-N 2 1 213.369 1.236 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423549741 387372844 /nfs/dbraw/zinc/37/28/44/387372844.db2.gz IEBLLKAUOPJJLP-DGCLKSJQSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462907 387322174 /nfs/dbraw/zinc/32/21/74/387322174.db2.gz YFGKGOTXMRPPDA-IACUBPJLSA-N 2 1 237.391 1.201 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423481997 387326431 /nfs/dbraw/zinc/32/64/31/387326431.db2.gz XHULNTMBVFANIN-REWJHTLYSA-N 2 1 239.407 1.754 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423481995 387326758 /nfs/dbraw/zinc/32/67/58/387326758.db2.gz XHULNTMBVFANIN-DGAVXFQQSA-N 2 1 239.407 1.754 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@H]1C ZINC000423482764 387328705 /nfs/dbraw/zinc/32/87/05/387328705.db2.gz QYMNPKHECVGNOT-ZNSHCXBVSA-N 2 1 232.318 1.865 20 0 BDADMP C[C@H](c1cn[nH]c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423513765 387346859 /nfs/dbraw/zinc/34/68/59/387346859.db2.gz SCSWEWRNEGRPGL-CKYFFXLPSA-N 2 1 222.336 1.387 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000423512000 387347550 /nfs/dbraw/zinc/34/75/50/387347550.db2.gz KSOXHRXJFXGLQO-ZOBORPQBSA-N 2 1 239.407 1.304 20 0 BDADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423518391 387351275 /nfs/dbraw/zinc/35/12/75/387351275.db2.gz OMXLGCUULINVNN-IHRRRGAJSA-N 2 1 241.423 1.694 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](C)Cc1cccs1 ZINC000643505289 387449641 /nfs/dbraw/zinc/44/96/41/387449641.db2.gz BYHXFTWAYPZZPG-SNVBAGLBSA-N 2 1 212.362 1.878 20 0 BDADMP COCCC[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506742 387459473 /nfs/dbraw/zinc/45/94/73/387459473.db2.gz HEZJNNWOSYLZHH-JTQLQIEISA-N 2 1 200.326 1.143 20 0 BDADMP Cn1c[nH+]cc1CCCSCC[NH+](C)C ZINC000515672702 387410549 /nfs/dbraw/zinc/41/05/49/387410549.db2.gz IXBPPZLXIJXWIW-UHFFFAOYSA-N 2 1 227.377 1.648 20 0 BDADMP C[NH+]1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000361462263 387463863 /nfs/dbraw/zinc/46/38/63/387463863.db2.gz GHBBGXRJNCVZOY-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP c1cn(CC[N@H+]2CCCO[C@@H]3CCC[C@H]32)cn1 ZINC000362181334 387582598 /nfs/dbraw/zinc/58/25/98/387582598.db2.gz RPQIYCDJIBHTKJ-CHWSQXEVSA-N 2 1 235.331 1.527 20 0 BDADMP CCN1CCC([N@H+](C)CC2(F)CC2)CC1 ZINC000527509517 387587557 /nfs/dbraw/zinc/58/75/57/387587557.db2.gz PYQNGPMJCXDMFN-UHFFFAOYSA-N 2 1 214.328 1.905 20 0 BDADMP CCN1CCC([N@@H+](C)CC2(F)CC2)CC1 ZINC000527509517 387587560 /nfs/dbraw/zinc/58/75/60/387587560.db2.gz PYQNGPMJCXDMFN-UHFFFAOYSA-N 2 1 214.328 1.905 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643511197 387591824 /nfs/dbraw/zinc/59/18/24/387591824.db2.gz OYLYEDZOWGQICJ-GXTWGEPZSA-N 3 1 241.423 1.680 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1 ZINC000643511314 387593644 /nfs/dbraw/zinc/59/36/44/387593644.db2.gz ZKSFPAMQBWDDJS-YNEHKIRRSA-N 2 1 228.380 1.907 20 0 BDADMP CC(C)CCC[N@H+]1CCO[C@@H](CN(C)C)C1 ZINC000375978012 387598110 /nfs/dbraw/zinc/59/81/10/387598110.db2.gz VRSVSVUSRHOUMO-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP [NH3+]C1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000527532656 387599842 /nfs/dbraw/zinc/59/98/42/387599842.db2.gz NKSITTBIIRSRKB-HTAVTVPLSA-N 2 1 223.364 1.131 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000422558110 387600760 /nfs/dbraw/zinc/60/07/60/387600760.db2.gz ADJZZMWXUCCPFS-GMTAPVOTSA-N 2 1 222.336 1.215 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000422558110 387600763 /nfs/dbraw/zinc/60/07/63/387600763.db2.gz ADJZZMWXUCCPFS-GMTAPVOTSA-N 2 1 222.336 1.215 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422558482 387600850 /nfs/dbraw/zinc/60/08/50/387600850.db2.gz AUVLXBDILNYKNZ-XJFOESAGSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422558482 387600854 /nfs/dbraw/zinc/60/08/54/387600854.db2.gz AUVLXBDILNYKNZ-XJFOESAGSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422637595 387610636 /nfs/dbraw/zinc/61/06/36/387610636.db2.gz OZXCOXLNWNRUJM-RFGFWPKPSA-N 3 1 239.407 1.291 20 0 BDADMP CCOC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422638737 387611347 /nfs/dbraw/zinc/61/13/47/387611347.db2.gz RHAQRPIDVSTSQP-UTUOFQBUSA-N 2 1 242.363 1.245 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422700641 387616483 /nfs/dbraw/zinc/61/64/83/387616483.db2.gz AMYRHQHBHRGFHV-RAIGVLPGSA-N 2 1 228.380 1.371 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422707908 387620245 /nfs/dbraw/zinc/62/02/45/387620245.db2.gz IKFQGLSGKGAHLA-KGLIPLIRSA-N 2 1 241.423 1.825 20 0 BDADMP CCCCN(C)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422707908 387620246 /nfs/dbraw/zinc/62/02/46/387620246.db2.gz IKFQGLSGKGAHLA-KGLIPLIRSA-N 2 1 241.423 1.825 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000422706223 387620917 /nfs/dbraw/zinc/62/09/17/387620917.db2.gz TWZTWHWEIOOMEY-BNOWGMLFSA-N 2 1 240.391 1.515 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1c[nH+]ccc1N ZINC000422705501 387621055 /nfs/dbraw/zinc/62/10/55/387621055.db2.gz RQIOKCHIBVWRJH-KXUCPTDWSA-N 2 1 205.305 1.801 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422706737 387621535 /nfs/dbraw/zinc/62/15/35/387621535.db2.gz FSZIRVQLJYQMFA-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP Cc1ccc(CC[N@@H+]2CCC[C@@H]2CN)cc1 ZINC000430556082 387627048 /nfs/dbraw/zinc/62/70/48/387627048.db2.gz TWQHFQVCTSONBY-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccc(CC[N@H+]2CCC[C@@H]2CN)cc1 ZINC000430556082 387627053 /nfs/dbraw/zinc/62/70/53/387627053.db2.gz TWQHFQVCTSONBY-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccc(CC[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000430556082 387627056 /nfs/dbraw/zinc/62/70/56/387627056.db2.gz TWQHFQVCTSONBY-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccc(CC[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000430556082 387627060 /nfs/dbraw/zinc/62/70/60/387627060.db2.gz TWQHFQVCTSONBY-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000305119119 387555597 /nfs/dbraw/zinc/55/55/97/387555597.db2.gz JAVFHMGPNPNBGJ-QSLWVIQJSA-N 2 1 242.407 1.712 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[NH+](C)C ZINC000037051639 387559700 /nfs/dbraw/zinc/55/97/00/387559700.db2.gz XBNLSNITSGALKU-GFCCVEGCSA-N 2 1 236.363 1.339 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)nc1 ZINC000399680620 387566288 /nfs/dbraw/zinc/56/62/88/387566288.db2.gz QJIPFAUCDBQOJT-ZFWWWQNUSA-N 2 1 247.386 1.862 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000305170937 387569497 /nfs/dbraw/zinc/56/94/97/387569497.db2.gz UGODTCVPVIYRIZ-AAVRWANBSA-N 2 1 242.407 1.712 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422719149 387631047 /nfs/dbraw/zinc/63/10/47/387631047.db2.gz XQFSFSNLCNHAHU-ZDEQEGDKSA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000430699329 387640395 /nfs/dbraw/zinc/64/03/95/387640395.db2.gz YGRRZVCJEGBNPM-RFQIPJPRSA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422734458 387642791 /nfs/dbraw/zinc/64/27/91/387642791.db2.gz SITVRCNSWJENMW-BFHYXJOUSA-N 2 1 241.423 1.966 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000125098708 387643315 /nfs/dbraw/zinc/64/33/15/387643315.db2.gz ZXVPRCBYUXMDRZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000125098708 387643319 /nfs/dbraw/zinc/64/33/19/387643319.db2.gz ZXVPRCBYUXMDRZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000125098708 387643327 /nfs/dbraw/zinc/64/33/27/387643327.db2.gz ZXVPRCBYUXMDRZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000125098708 387643331 /nfs/dbraw/zinc/64/33/31/387643331.db2.gz ZXVPRCBYUXMDRZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H](NCC[N@@H+](C)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400754897 387644802 /nfs/dbraw/zinc/64/48/02/387644802.db2.gz WRNTZSLFVBYTOQ-OCCSQVGLSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccccc1 ZINC000422739570 387645921 /nfs/dbraw/zinc/64/59/21/387645921.db2.gz ABZKOMDGMCDYHO-JSGCOSHPSA-N 2 1 218.344 1.817 20 0 BDADMP CCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422739072 387646279 /nfs/dbraw/zinc/64/62/79/387646279.db2.gz ZVELCWIUDYPSGT-WCQYABFASA-N 2 1 206.333 1.945 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422740629 387647758 /nfs/dbraw/zinc/64/77/58/387647758.db2.gz NWIXSOCALYTKQH-HZSPNIEDSA-N 2 1 234.343 1.844 20 0 BDADMP C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422741497 387647859 /nfs/dbraw/zinc/64/78/59/387647859.db2.gz ONNBQKKKQUOKAJ-SCRDCRAPSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000422741498 387647986 /nfs/dbraw/zinc/64/79/86/387647986.db2.gz ONNBQKKKQUOKAJ-YRGRVCCFSA-N 2 1 239.407 1.589 20 0 BDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744907 387649090 /nfs/dbraw/zinc/64/90/90/387649090.db2.gz UIZVVFAWLVUWQV-GJZGRUSLSA-N 2 1 248.370 1.929 20 0 BDADMP C[C@@H](CN[C@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000422747234 387650980 /nfs/dbraw/zinc/65/09/80/387650980.db2.gz YDXHFJXXLXOMHQ-MDZLAQPJSA-N 2 1 225.380 1.057 20 0 BDADMP CN(C)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422747928 387651534 /nfs/dbraw/zinc/65/15/34/387651534.db2.gz REQRNZRVOYCWEG-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746223 387651927 /nfs/dbraw/zinc/65/19/27/387651927.db2.gz WEWVQQOOCRDDPK-YUTCNCBUSA-N 2 1 239.407 1.589 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422750338 387655088 /nfs/dbraw/zinc/65/50/88/387655088.db2.gz CTWLYAKQRNDCEE-MGPQQGTHSA-N 3 1 239.407 1.720 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422750338 387655091 /nfs/dbraw/zinc/65/50/91/387655091.db2.gz CTWLYAKQRNDCEE-MGPQQGTHSA-N 3 1 239.407 1.720 20 0 BDADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422757856 387661636 /nfs/dbraw/zinc/66/16/36/387661636.db2.gz NDSKSBRZGBLAMX-QLFBSQMISA-N 2 1 247.386 1.759 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccs1 ZINC000422764614 387666633 /nfs/dbraw/zinc/66/66/33/387666633.db2.gz VHFWDZPIJJHSPT-JQWIXIFHSA-N 2 1 224.373 1.878 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422766501 387667974 /nfs/dbraw/zinc/66/79/74/387667974.db2.gz XLQNYODLPBOUSB-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000422770155 387670471 /nfs/dbraw/zinc/67/04/71/387670471.db2.gz UKRATVYCCOXEHR-QWHCGFSZSA-N 2 1 225.380 1.332 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422774427 387672397 /nfs/dbraw/zinc/67/23/97/387672397.db2.gz WZFWKUGDTYCBDS-RDBSUJKOSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000422780235 387678577 /nfs/dbraw/zinc/67/85/77/387678577.db2.gz JFHOHHWVJGYWCT-BFHYXJOUSA-N 2 1 241.423 1.822 20 0 BDADMP COC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000126336115 387680976 /nfs/dbraw/zinc/68/09/76/387680976.db2.gz ITBFNCLOEGGTBB-CQSZACIVSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422860983 387743087 /nfs/dbraw/zinc/74/30/87/387743087.db2.gz NLGFQHDQZAUQPO-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422861985 387743793 /nfs/dbraw/zinc/74/37/93/387743793.db2.gz PGOBPEAJEDUIBY-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422861985 387743799 /nfs/dbraw/zinc/74/37/99/387743799.db2.gz PGOBPEAJEDUIBY-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861062 387744236 /nfs/dbraw/zinc/74/42/36/387744236.db2.gz IWPSFOKHDXQSHP-UHXUPSOCSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000422861763 387744483 /nfs/dbraw/zinc/74/44/83/387744483.db2.gz JNNRUFPINIRTRQ-URBCHYCLSA-N 2 1 223.364 1.081 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CN1C1CC1 ZINC000422861763 387744488 /nfs/dbraw/zinc/74/44/88/387744488.db2.gz JNNRUFPINIRTRQ-URBCHYCLSA-N 2 1 223.364 1.081 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000422863801 387746703 /nfs/dbraw/zinc/74/67/03/387746703.db2.gz MBHYSJFDLURPIO-NMKXLXIOSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CN1C1CC1 ZINC000422863801 387746707 /nfs/dbraw/zinc/74/67/07/387746707.db2.gz MBHYSJFDLURPIO-NMKXLXIOSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871381 387749468 /nfs/dbraw/zinc/74/94/68/387749468.db2.gz ZYKKWJFGZYPKMM-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422868790 387749989 /nfs/dbraw/zinc/74/99/89/387749989.db2.gz WBBITIHZVSEVGH-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422879894 387756419 /nfs/dbraw/zinc/75/64/19/387756419.db2.gz WBSISLKSWHPWSO-OXHZDVMGSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422879894 387756425 /nfs/dbraw/zinc/75/64/25/387756425.db2.gz WBSISLKSWHPWSO-OXHZDVMGSA-N 2 1 237.391 1.186 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000422796375 387697893 /nfs/dbraw/zinc/69/78/93/387697893.db2.gz JEKQIWGGQYENJV-UONOGXRCSA-N 2 1 237.391 1.202 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000422796373 387699336 /nfs/dbraw/zinc/69/93/36/387699336.db2.gz JEKQIWGGQYENJV-KGLIPLIRSA-N 2 1 237.391 1.202 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045021802 387700527 /nfs/dbraw/zinc/70/05/27/387700527.db2.gz MDGOXEAIPAVCSB-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045021802 387700530 /nfs/dbraw/zinc/70/05/30/387700530.db2.gz MDGOXEAIPAVCSB-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422876684 387755014 /nfs/dbraw/zinc/75/50/14/387755014.db2.gz GHPJUCKDWKNYKV-STQMWFEESA-N 2 1 227.396 1.447 20 0 BDADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422802272 387703052 /nfs/dbraw/zinc/70/30/52/387703052.db2.gz DFJCNJNQJMAIQQ-IHRRRGAJSA-N 2 1 242.407 1.619 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422818301 387714201 /nfs/dbraw/zinc/71/42/01/387714201.db2.gz GBAFMISQXBYMMS-OLZOCXBDSA-N 2 1 227.396 1.306 20 0 BDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422814780 387714624 /nfs/dbraw/zinc/71/46/24/387714624.db2.gz WBMPQYICCJVQIP-KBPBESRZSA-N 2 1 239.407 1.722 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000452069837 387721961 /nfs/dbraw/zinc/72/19/61/387721961.db2.gz NHSRSXIPWPCBBL-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000452069837 387721966 /nfs/dbraw/zinc/72/19/66/387721966.db2.gz NHSRSXIPWPCBBL-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000452069837 387721974 /nfs/dbraw/zinc/72/19/74/387721974.db2.gz NHSRSXIPWPCBBL-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP COCCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422829060 387723717 /nfs/dbraw/zinc/72/37/17/387723717.db2.gz UMOSYKAMZVCMDG-NWDGAFQWSA-N 2 1 214.353 1.391 20 0 BDADMP CNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422834704 387725735 /nfs/dbraw/zinc/72/57/35/387725735.db2.gz XHDDVVVYFBMCMZ-OLZOCXBDSA-N 2 1 247.342 1.016 20 0 BDADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422834702 387726631 /nfs/dbraw/zinc/72/66/31/387726631.db2.gz XHDDVVVYFBMCMZ-CHWSQXEVSA-N 2 1 247.342 1.016 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000128068663 387734662 /nfs/dbraw/zinc/73/46/62/387734662.db2.gz BAVRBHCOWLQPJT-MGPQQGTHSA-N 2 1 238.375 1.772 20 0 BDADMP CCSCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000129022335 387761960 /nfs/dbraw/zinc/76/19/60/387761960.db2.gz XCSLBUHCWHBTAI-VXGBXAGGSA-N 2 1 244.404 1.192 20 0 BDADMP CCSCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000129022335 387761964 /nfs/dbraw/zinc/76/19/64/387761964.db2.gz XCSLBUHCWHBTAI-VXGBXAGGSA-N 2 1 244.404 1.192 20 0 BDADMP CCOCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422899042 387764922 /nfs/dbraw/zinc/76/49/22/387764922.db2.gz NKRYGEZKQQQJOZ-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP CC[C@@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000422898547 387766753 /nfs/dbraw/zinc/76/67/53/387766753.db2.gz FIJQALZGYBTYNZ-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]([NH2+]Cc1ccccc1N(C)C)C1C[NH2+]C1 ZINC000422910769 387768986 /nfs/dbraw/zinc/76/89/86/387768986.db2.gz JCXMIXUEHJWIJG-LLVKDONJSA-N 2 1 233.359 1.450 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909503 387769079 /nfs/dbraw/zinc/76/90/79/387769079.db2.gz OEZNWYRHNOBTCS-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000643528641 387769900 /nfs/dbraw/zinc/76/99/00/387769900.db2.gz MKXTZVGCWMBZQX-PELKAZGASA-N 2 1 208.280 1.750 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1nccs1 ZINC000422913847 387770599 /nfs/dbraw/zinc/77/05/99/387770599.db2.gz QXMIPOLFLFNUME-QWRGUYRKSA-N 2 1 239.388 1.663 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422911509 387772043 /nfs/dbraw/zinc/77/20/43/387772043.db2.gz TXOMICBFFSYXHF-HSBZDZAISA-N 3 1 241.423 1.824 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422911509 387772046 /nfs/dbraw/zinc/77/20/46/387772046.db2.gz TXOMICBFFSYXHF-HSBZDZAISA-N 3 1 241.423 1.824 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422922624 387777765 /nfs/dbraw/zinc/77/77/65/387777765.db2.gz QILYWOTVCHDKLO-GRYCIOLGSA-N 2 1 214.353 1.125 20 0 BDADMP CC(C)C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309446089 387779973 /nfs/dbraw/zinc/77/99/73/387779973.db2.gz PDCOSHNJRRFXCF-YPMHNXCESA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309446089 387779976 /nfs/dbraw/zinc/77/99/76/387779976.db2.gz PDCOSHNJRRFXCF-YPMHNXCESA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000422932978 387781509 /nfs/dbraw/zinc/78/15/09/387781509.db2.gz CWRMTUAVRJEYGZ-CMPLNLGQSA-N 2 1 236.363 1.894 20 0 BDADMP CS[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422935574 387783048 /nfs/dbraw/zinc/78/30/48/387783048.db2.gz KZXBFHIIYSRAGN-AXFHLTTASA-N 2 1 216.394 1.858 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422944570 387784531 /nfs/dbraw/zinc/78/45/31/387784531.db2.gz SJHJZITWOZNBSS-UHTWSYAYSA-N 2 1 248.374 1.387 20 0 BDADMP COC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432357875 387785229 /nfs/dbraw/zinc/78/52/29/387785229.db2.gz NLEAAWUVOCWBOG-QWHCGFSZSA-N 2 1 244.379 1.112 20 0 BDADMP COC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432357875 387785235 /nfs/dbraw/zinc/78/52/35/387785235.db2.gz NLEAAWUVOCWBOG-QWHCGFSZSA-N 2 1 244.379 1.112 20 0 BDADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422979081 387788849 /nfs/dbraw/zinc/78/88/49/387788849.db2.gz LFFOJALJTORRPE-MELADBBJSA-N 2 1 242.407 1.904 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422977707 387788894 /nfs/dbraw/zinc/78/88/94/387788894.db2.gz XJIWVLMPDUTPRE-KBPBESRZSA-N 3 1 241.423 1.825 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422979391 387788904 /nfs/dbraw/zinc/78/89/04/387788904.db2.gz MOQPCNCGCHIYKC-IJLUTSLNSA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422979082 387789110 /nfs/dbraw/zinc/78/91/10/387789110.db2.gz LFFOJALJTORRPE-MGPQQGTHSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000422986780 387795634 /nfs/dbraw/zinc/79/56/34/387795634.db2.gz HIDZAGVAWDWGBS-NWDGAFQWSA-N 3 1 241.423 1.965 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422990967 387801172 /nfs/dbraw/zinc/80/11/72/387801172.db2.gz OVOHPDPJBYVIAW-LPWJVIDDSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422990967 387801174 /nfs/dbraw/zinc/80/11/74/387801174.db2.gz OVOHPDPJBYVIAW-LPWJVIDDSA-N 2 1 225.380 1.044 20 0 BDADMP COC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(C)o1 ZINC000423001191 387805253 /nfs/dbraw/zinc/80/52/53/387805253.db2.gz DEQCLDHDKSJEMG-FOGDFJRCSA-N 2 1 240.347 1.991 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccco1 ZINC000422962127 387811284 /nfs/dbraw/zinc/81/12/84/387811284.db2.gz DXMOHORZOYDOSP-JQWIXIFHSA-N 2 1 208.305 1.410 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CO1 ZINC000564085055 387825311 /nfs/dbraw/zinc/82/53/11/387825311.db2.gz SJNFPUXYXBIFFJ-HTOAHKCRSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]([NH2+]CCc1ccncc1)c1c[nH+]ccc1N ZINC000423005877 387830144 /nfs/dbraw/zinc/83/01/44/387830144.db2.gz NKGQPLXVASRJSB-NSHDSACASA-N 2 1 242.326 1.782 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423013080 387835177 /nfs/dbraw/zinc/83/51/77/387835177.db2.gz MADSTAHEJRLJEL-VOAKCMCISA-N 2 1 226.364 1.674 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423013081 387836904 /nfs/dbraw/zinc/83/69/04/387836904.db2.gz MADSTAHEJRLJEL-WUHRBBMRSA-N 2 1 226.364 1.674 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)nc1 ZINC000423015483 387837922 /nfs/dbraw/zinc/83/79/22/387837922.db2.gz RFAQNBIJNSVOLT-NWDGAFQWSA-N 2 1 234.347 1.058 20 0 BDADMP CC(C)CSCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423014707 387838738 /nfs/dbraw/zinc/83/87/38/387838738.db2.gz PPIHMMAHTKZLEE-RYUDHWBXSA-N 2 1 230.421 1.963 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423026833 387844148 /nfs/dbraw/zinc/84/41/48/387844148.db2.gz CEBJZNVAWUKFTC-IHRRRGAJSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H]([NH2+]CC1(CO)CCC1)[C@H]1CCCC[NH2+]1 ZINC000423030884 387847198 /nfs/dbraw/zinc/84/71/98/387847198.db2.gz KCJIAZCXHMNWSQ-NWDGAFQWSA-N 2 1 226.364 1.269 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCCO1)c1c[nH+]ccc1N ZINC000643459695 387848786 /nfs/dbraw/zinc/84/87/86/387848786.db2.gz SLEIZAJRJPWFRN-GHMZBOCLSA-N 2 1 235.331 1.714 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423032811 387849753 /nfs/dbraw/zinc/84/97/53/387849753.db2.gz YRRRVMHYUVBCIV-YUTCNCBUSA-N 2 1 240.391 1.658 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423038795 387852702 /nfs/dbraw/zinc/85/27/02/387852702.db2.gz PCHZKHFUSLQBTD-KBPBESRZSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)[C@H]1CCC[NH2+]1 ZINC000423043126 387855364 /nfs/dbraw/zinc/85/53/64/387855364.db2.gz NIXROLVWNAJPLG-XQHKEYJVSA-N 2 1 226.364 1.674 20 0 BDADMP CSCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193607786 387857476 /nfs/dbraw/zinc/85/74/76/387857476.db2.gz MDMXKUUCZVKCDB-PHIMTYICSA-N 2 1 214.378 1.233 20 0 BDADMP CSCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193607786 387857481 /nfs/dbraw/zinc/85/74/81/387857481.db2.gz MDMXKUUCZVKCDB-PHIMTYICSA-N 2 1 214.378 1.233 20 0 BDADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)n1 ZINC000193622530 387860727 /nfs/dbraw/zinc/86/07/27/387860727.db2.gz DBEIVSAGFPFODW-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)n1 ZINC000193622530 387860731 /nfs/dbraw/zinc/86/07/31/387860731.db2.gz DBEIVSAGFPFODW-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)n1 ZINC000193622530 387860734 /nfs/dbraw/zinc/86/07/34/387860734.db2.gz DBEIVSAGFPFODW-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)n1 ZINC000193622530 387860736 /nfs/dbraw/zinc/86/07/36/387860736.db2.gz DBEIVSAGFPFODW-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)n1 ZINC000193622530 387860741 /nfs/dbraw/zinc/86/07/41/387860741.db2.gz DBEIVSAGFPFODW-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000423059448 387864566 /nfs/dbraw/zinc/86/45/66/387864566.db2.gz LROBXBFALURHHI-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(N(C)C)CCC1 ZINC000423063121 387866765 /nfs/dbraw/zinc/86/67/65/387866765.db2.gz VNGLZRGTHRVOBQ-WDEREUQCSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000423065131 387868589 /nfs/dbraw/zinc/86/85/89/387868589.db2.gz SWNHBJFJADTLPD-NDBYEHHHSA-N 2 1 226.364 1.125 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000422965447 387815675 /nfs/dbraw/zinc/81/56/75/387815675.db2.gz ORIYRCUCFFKJEW-QWHCGFSZSA-N 2 1 238.306 1.287 20 0 BDADMP CC[C@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000322502274 387876722 /nfs/dbraw/zinc/87/67/22/387876722.db2.gz GKXVQPKNXTUNFX-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000423095221 387884559 /nfs/dbraw/zinc/88/45/59/387884559.db2.gz LQPVIEOPKWWEGI-KBPBESRZSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1c[nH+]ccc1N ZINC000423102487 387888955 /nfs/dbraw/zinc/88/89/55/387888955.db2.gz FIGMIYLCCFYRTA-WOPDTQHZSA-N 2 1 249.358 1.817 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423125138 387902552 /nfs/dbraw/zinc/90/25/52/387902552.db2.gz NATLSSUWFAIDKC-FQUUOJAGSA-N 2 1 240.391 1.373 20 0 BDADMP C[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)[C@@H]1CC[NH2+]C1 ZINC000423124248 387903186 /nfs/dbraw/zinc/90/31/86/387903186.db2.gz OBHUVFJZCVUHGP-CMPLNLGQSA-N 2 1 244.342 1.651 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423133162 387909747 /nfs/dbraw/zinc/90/97/47/387909747.db2.gz CHAZPGBTAQKELW-MELADBBJSA-N 2 1 241.423 1.837 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423135207 387911267 /nfs/dbraw/zinc/91/12/67/387911267.db2.gz FNNZXLABHVHHKD-MCIONIFRSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)CC1CCC1)[C@H]1CCC[NH2+]1 ZINC000423135797 387913184 /nfs/dbraw/zinc/91/31/84/387913184.db2.gz ULHAEWJVCDEZGN-KGYLQXTDSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@H]([NH2+]C[C@@H](CO)C1CC1)c1c[nH+]ccc1N ZINC000423140318 387917475 /nfs/dbraw/zinc/91/74/75/387917475.db2.gz MJQAUSPJZSKZKS-ONGXEEELSA-N 2 1 235.331 1.163 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1c[nH+]ccc1N ZINC000423150746 387930268 /nfs/dbraw/zinc/93/02/68/387930268.db2.gz CEVCLSLMVTYSDM-UHIISALHSA-N 2 1 249.358 1.696 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000423151858 387930494 /nfs/dbraw/zinc/93/04/94/387930494.db2.gz DAQJVEJBKFFXER-QNWHQSFQSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000423152708 387931522 /nfs/dbraw/zinc/93/15/22/387931522.db2.gz MAUZPWYFCVICCJ-NEPJUHHUSA-N 2 1 244.354 1.340 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423155064 387935178 /nfs/dbraw/zinc/93/51/78/387935178.db2.gz ISVFQFUAPYGHIT-TUAOUCFPSA-N 2 1 214.353 1.125 20 0 BDADMP CC[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423145929 387922553 /nfs/dbraw/zinc/92/25/53/387922553.db2.gz NDQOTSLLBACBSF-UPOSSJBDSA-N 2 1 214.328 1.997 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000300384954 387952305 /nfs/dbraw/zinc/95/23/05/387952305.db2.gz JUEMYVUTQZZUES-KXUCPTDWSA-N 2 1 200.326 1.127 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2cncn2c1 ZINC000423167688 387952632 /nfs/dbraw/zinc/95/26/32/387952632.db2.gz FNLGDWYABZEKRM-LBPRGKRZSA-N 2 1 246.358 1.941 20 0 BDADMP COCC[C@@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423168439 387955783 /nfs/dbraw/zinc/95/57/83/387955783.db2.gz HLPOMEYEHWJUAW-GHMZBOCLSA-N 2 1 237.347 1.817 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423158421 387938686 /nfs/dbraw/zinc/93/86/86/387938686.db2.gz WSYPEUIDKOUVIX-APYLGABCSA-N 2 1 237.391 1.199 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423160465 387940485 /nfs/dbraw/zinc/94/04/85/387940485.db2.gz HKMDYVMOARCURE-FVCCEPFGSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423161759 387943636 /nfs/dbraw/zinc/94/36/36/387943636.db2.gz JNYMTTYZXZOIHJ-NEPJUHHUSA-N 3 1 227.396 1.576 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CCCC1(C)C ZINC000423162653 387944068 /nfs/dbraw/zinc/94/40/68/387944068.db2.gz LKITXLDMQYUPOZ-NWDGAFQWSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)CC[N@@H+]1C ZINC000156279736 387950438 /nfs/dbraw/zinc/95/04/38/387950438.db2.gz VRXIGMVXZWRJLO-SDDRHHMPSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)CC[N@H+]1C ZINC000156279736 387950441 /nfs/dbraw/zinc/95/04/41/387950441.db2.gz VRXIGMVXZWRJLO-SDDRHHMPSA-N 2 1 212.337 1.238 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2cncn2c1 ZINC000423172446 387959887 /nfs/dbraw/zinc/95/98/87/387959887.db2.gz SYCKXIODLJABKH-JSGCOSHPSA-N 2 1 244.342 1.551 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423178650 387964119 /nfs/dbraw/zinc/96/41/19/387964119.db2.gz CIPPMMLKEVAPBU-FDYHWXHSSA-N 2 1 225.380 1.057 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423180552 387965348 /nfs/dbraw/zinc/96/53/48/387965348.db2.gz FFHCGRIORCVVSE-XQQFMLRXSA-N 2 1 226.364 1.533 20 0 BDADMP CCC1(CC)[C@@H]([NH2+]CC[NH3+])C[C@@H]1OC ZINC000423180121 387965623 /nfs/dbraw/zinc/96/56/23/387965623.db2.gz IDYJZWWWKHBYSL-UWVGGRQHSA-N 2 1 200.326 1.128 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000423180074 387966096 /nfs/dbraw/zinc/96/60/96/387966096.db2.gz DYJPYWUVRHCKHM-MQYQWHSLSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[NH3+] ZINC000423180729 387966667 /nfs/dbraw/zinc/96/66/67/387966667.db2.gz ITDYLWBXICVSNK-VIFPVBQESA-N 2 1 228.286 1.834 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCOCC2CC2)CC1 ZINC000158876623 387968727 /nfs/dbraw/zinc/96/87/27/387968727.db2.gz LPISSEAWTGYJKJ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCOCC2CC2)CC1 ZINC000158876623 387968730 /nfs/dbraw/zinc/96/87/30/387968730.db2.gz LPISSEAWTGYJKJ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[NH3+])C1 ZINC000423194313 387979915 /nfs/dbraw/zinc/97/99/15/387979915.db2.gz XRLUVSGFGJSDQD-RYUDHWBXSA-N 2 1 242.363 1.437 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCSC1 ZINC000245704429 387974666 /nfs/dbraw/zinc/97/46/66/387974666.db2.gz YFDRDLDEPYSRBN-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCSC1 ZINC000245704429 387974673 /nfs/dbraw/zinc/97/46/73/387974673.db2.gz YFDRDLDEPYSRBN-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCSC1 ZINC000245704429 387974678 /nfs/dbraw/zinc/97/46/78/387974678.db2.gz YFDRDLDEPYSRBN-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])C1CCC(F)(F)CC1 ZINC000423190476 387975317 /nfs/dbraw/zinc/97/53/17/387975317.db2.gz SLHZIHAGFXRQIC-QMMMGPOBSA-N 2 1 206.280 1.749 20 0 BDADMP [NH3+]CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423190065 387976750 /nfs/dbraw/zinc/97/67/50/387976750.db2.gz NHUUDPRAFYIDDY-LBPRGKRZSA-N 2 1 236.363 1.970 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH3+])C1(CC)CC ZINC000423192997 387977320 /nfs/dbraw/zinc/97/73/20/387977320.db2.gz WDPNAEQAMKVGRP-MNOVXSKESA-N 2 1 214.353 1.519 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1N ZINC000424368697 387991698 /nfs/dbraw/zinc/99/16/98/387991698.db2.gz AEURYBXOVOJKQA-QJPTWQEYSA-N 2 1 213.369 1.363 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@H]1OC ZINC000423197427 387982118 /nfs/dbraw/zinc/98/21/18/387982118.db2.gz ZIIUOURQTVRHHI-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423216103 387997671 /nfs/dbraw/zinc/99/76/71/387997671.db2.gz PLCPOCSXHZXXPX-BEUHCMRWSA-N 2 1 237.391 1.199 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424375415 387999331 /nfs/dbraw/zinc/99/93/31/387999331.db2.gz NBTJCQZACCZERZ-XJFOESAGSA-N 3 1 237.391 1.473 20 0 BDADMP CC(C)CCOCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638432 135091636 /nfs/dbraw/zinc/09/16/36/135091636.db2.gz NJWNLEFJTKKGPH-UHFFFAOYSA-N 2 1 230.396 1.966 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH2+]C)C12CCCCC2 ZINC000423223248 388004354 /nfs/dbraw/zinc/00/43/54/388004354.db2.gz FPUXSSWJOAYFFG-QWHCGFSZSA-N 2 1 240.391 1.923 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000423224597 388005622 /nfs/dbraw/zinc/00/56/22/388005622.db2.gz JLEVYOWHYDYSTG-HNNXBMFYSA-N 2 1 248.370 1.825 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423240370 388024627 /nfs/dbraw/zinc/02/46/27/388024627.db2.gz SZOUNXXFVDAKAB-QWHCGFSZSA-N 2 1 226.364 1.533 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000423230284 388015203 /nfs/dbraw/zinc/01/52/03/388015203.db2.gz DFKOYHSFRLBGGT-GRYCIOLGSA-N 2 1 242.363 1.163 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423231173 388017172 /nfs/dbraw/zinc/01/71/72/388017172.db2.gz FWYFSFCYBVOKEW-GRYCIOLGSA-N 2 1 224.348 1.143 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000423236393 388020650 /nfs/dbraw/zinc/02/06/50/388020650.db2.gz CFRZMEOVCXUVFG-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423238883 388023049 /nfs/dbraw/zinc/02/30/49/388023049.db2.gz FPDOLSIMCXGCCR-UBHSHLNASA-N 2 1 218.344 1.988 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423252154 388032884 /nfs/dbraw/zinc/03/28/84/388032884.db2.gz XDQFZZCOJZAYGX-NWDGAFQWSA-N 2 1 236.363 1.255 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423258847 388038527 /nfs/dbraw/zinc/03/85/27/388038527.db2.gz CQKILUJNGMWZLA-AXFHLTTASA-N 2 1 202.342 1.373 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000082645468 388038952 /nfs/dbraw/zinc/03/89/52/388038952.db2.gz ZKEQNRKDKINRNH-VXGBXAGGSA-N 2 1 219.332 1.641 20 0 BDADMP COC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C1CC1 ZINC000423261986 388039712 /nfs/dbraw/zinc/03/97/12/388039712.db2.gz LGTRLADKUQYDBB-RYUDHWBXSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423262886 388040920 /nfs/dbraw/zinc/04/09/20/388040920.db2.gz NPWWXQQTTWOGQB-MGPQQGTHSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423266030 388043999 /nfs/dbraw/zinc/04/39/99/388043999.db2.gz RPMMZYZPXLJALY-BNOWGMLFSA-N 2 1 240.391 1.909 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423265244 388044051 /nfs/dbraw/zinc/04/40/51/388044051.db2.gz CRPZCCNKVGEYQS-QNWHQSFQSA-N 2 1 225.380 1.044 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423265244 388044052 /nfs/dbraw/zinc/04/40/52/388044052.db2.gz CRPZCCNKVGEYQS-QNWHQSFQSA-N 2 1 225.380 1.044 20 0 BDADMP C[NH2+]CC[NH2+]C1CCC(C(F)F)CC1 ZINC000423243896 388027703 /nfs/dbraw/zinc/02/77/03/388027703.db2.gz KRFHNBHAWQNPMZ-UHFFFAOYSA-N 2 1 206.280 1.619 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423248211 388029904 /nfs/dbraw/zinc/02/99/04/388029904.db2.gz QJZGTMSSYSHMNY-WDEREUQCSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000246304870 388030124 /nfs/dbraw/zinc/03/01/24/388030124.db2.gz DITXTYVORMTEJH-WXHSDQCUSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000246304870 388030126 /nfs/dbraw/zinc/03/01/26/388030126.db2.gz DITXTYVORMTEJH-WXHSDQCUSA-N 2 1 248.374 1.339 20 0 BDADMP CC[C@@H](NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272073 388051198 /nfs/dbraw/zinc/05/11/98/388051198.db2.gz JQWOEWFHGFNGRR-MCIONIFRSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000453348619 388054148 /nfs/dbraw/zinc/05/41/48/388054148.db2.gz FVDNQNUPZUIZCM-IGQOVBAYSA-N 2 1 240.391 1.610 20 0 BDADMP Cc1ccncc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423276204 388056634 /nfs/dbraw/zinc/05/66/34/388056634.db2.gz MQNMXAVQRADQJZ-ZWNOBZJWSA-N 2 1 219.332 1.778 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423278576 388060179 /nfs/dbraw/zinc/06/01/79/388060179.db2.gz QWQIYTSIQSUZRF-CYZMBNFOSA-N 2 1 225.380 1.042 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423278576 388060183 /nfs/dbraw/zinc/06/01/83/388060183.db2.gz QWQIYTSIQSUZRF-CYZMBNFOSA-N 2 1 225.380 1.042 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423279689 388062390 /nfs/dbraw/zinc/06/23/90/388062390.db2.gz STNZGQPLQKPUHN-NXEZZACHSA-N 2 1 225.311 1.727 20 0 BDADMP C[C@H]1CC[C@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000084048027 388069628 /nfs/dbraw/zinc/06/96/28/388069628.db2.gz LQLUBQNFGDQOKT-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cn(C)nc1C ZINC000423287242 388070867 /nfs/dbraw/zinc/07/08/67/388070867.db2.gz LASHTWHQMOWTRM-SNVBAGLBSA-N 2 1 238.379 1.897 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000084048024 388071109 /nfs/dbraw/zinc/07/11/09/388071109.db2.gz LQLUBQNFGDQOKT-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287355 388071723 /nfs/dbraw/zinc/07/17/23/388071723.db2.gz LRXSKBUIGJCBGG-JTQLQIEISA-N 2 1 207.321 1.778 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCOC[C@H]1C ZINC000423296501 388078521 /nfs/dbraw/zinc/07/85/21/388078521.db2.gz HCACCNWPDCZARO-UTUOFQBUSA-N 2 1 214.353 1.519 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423296965 388079032 /nfs/dbraw/zinc/07/90/32/388079032.db2.gz ICOJFBMLOXDIKI-XJFOESAGSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453419317 388079916 /nfs/dbraw/zinc/07/99/16/388079916.db2.gz YSEQYSZMHVSOKA-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](C)OC ZINC000423298333 388079961 /nfs/dbraw/zinc/07/99/61/388079961.db2.gz OCCOFGMYWXOACU-GMTAPVOTSA-N 2 1 202.342 1.517 20 0 BDADMP CC[NH+]1CCC(Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000085435878 388087992 /nfs/dbraw/zinc/08/79/92/388087992.db2.gz YHDYQEJQMZBCEJ-UHFFFAOYSA-N 2 1 249.362 1.439 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(CO)c1 ZINC000423267281 388045961 /nfs/dbraw/zinc/04/59/61/388045961.db2.gz CTDBHCALNJCBMR-IINYFYTJSA-N 2 1 234.343 1.567 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000453338215 388050122 /nfs/dbraw/zinc/05/01/22/388050122.db2.gz FVDNQNUPZUIZCM-CRWXNKLISA-N 2 1 240.391 1.610 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449076766 388139723 /nfs/dbraw/zinc/13/97/23/388139723.db2.gz HYIFKYCEDPGGGB-FRRDWIJNSA-N 2 1 244.379 1.110 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449089510 388141230 /nfs/dbraw/zinc/14/12/30/388141230.db2.gz KVCYZQHBYJIFBM-DMDPSCGWSA-N 2 1 237.347 1.737 20 0 BDADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCF)CCO2 ZINC000646104601 388143350 /nfs/dbraw/zinc/14/33/50/388143350.db2.gz IATFLISTSQBKTN-UHFFFAOYSA-N 2 1 230.327 1.143 20 0 BDADMP CO[C@H]1CC[N@@H+](CCCn2ccnc2)C[C@H]1C ZINC000451565757 388281989 /nfs/dbraw/zinc/28/19/89/388281989.db2.gz LVHVXQWKNIEOMM-OLZOCXBDSA-N 2 1 237.347 1.630 20 0 BDADMP C[C@H]([N@@H+](C)CCC[NH+]1CCCCC1)C(C)(C)O ZINC000451366389 388266001 /nfs/dbraw/zinc/26/60/01/388266001.db2.gz GJXWZOLVOYPKQU-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000300066179 388348338 /nfs/dbraw/zinc/34/83/38/388348338.db2.gz QBMLAGXPFHSJDH-UBHSHLNASA-N 2 1 248.374 1.022 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000516580276 388356342 /nfs/dbraw/zinc/35/63/42/388356342.db2.gz FNOBWWPJRWKRQF-AAEUAGOBSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000572881769 388384106 /nfs/dbraw/zinc/38/41/06/388384106.db2.gz NZDMEHXOOWSHMR-PAPYEOQZSA-N 2 1 248.370 1.712 20 0 BDADMP CCOC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308577441 388443382 /nfs/dbraw/zinc/44/33/82/388443382.db2.gz LFXNGBIBDFRIIH-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000322775341 388447383 /nfs/dbraw/zinc/44/73/83/388447383.db2.gz JLKFIDCVCUUKGS-ZWKOPEQDSA-N 2 1 247.342 1.245 20 0 BDADMP c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000335268697 388449013 /nfs/dbraw/zinc/44/90/13/388449013.db2.gz GTTRDRKMWDNZQT-PHIMTYICSA-N 2 1 237.372 1.575 20 0 BDADMP C(C1CCOCC1)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000336326156 388456051 /nfs/dbraw/zinc/45/60/51/388456051.db2.gz UKIJXEXBRZCLRM-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP C/C(Cl)=C\C[N@@H+]1CCn2cncc2C1 ZINC000528508097 388537215 /nfs/dbraw/zinc/53/72/15/388537215.db2.gz LLCZWZMZJVCOJE-XNWCZRBMSA-N 2 1 211.696 1.841 20 0 BDADMP C/C(Cl)=C\C[N@H+]1CCn2cncc2C1 ZINC000528508097 388537219 /nfs/dbraw/zinc/53/72/19/388537219.db2.gz LLCZWZMZJVCOJE-XNWCZRBMSA-N 2 1 211.696 1.841 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000356337519 388548358 /nfs/dbraw/zinc/54/83/58/388548358.db2.gz QBDDSUPYKHZUFE-JHJVBQTASA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340467029 388490887 /nfs/dbraw/zinc/49/08/87/388490887.db2.gz NWNVTRXLRWMESY-SRVKXCTJSA-N 2 1 214.328 1.951 20 0 BDADMP CO[C@H](C[NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000378751538 388495490 /nfs/dbraw/zinc/49/54/90/388495490.db2.gz OZEXUALDMKWIBB-GFCCVEGCSA-N 2 1 223.320 1.206 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN1C1CC1 ZINC000344308494 388506057 /nfs/dbraw/zinc/50/60/57/388506057.db2.gz YTPAZAWHDNYXON-JSGCOSHPSA-N 2 1 249.402 1.463 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN1C1CC1 ZINC000344308498 388506293 /nfs/dbraw/zinc/50/62/93/388506293.db2.gz YTPAZAWHDNYXON-TZMCWYRMSA-N 2 1 249.402 1.463 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCn3ccnc32)CC[N@H+]1C ZINC000345346640 388512429 /nfs/dbraw/zinc/51/24/29/388512429.db2.gz KDJMSDDPPZODKZ-IJLUTSLNSA-N 2 1 234.347 1.400 20 0 BDADMP COC(=O)CC1(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000520833203 388514749 /nfs/dbraw/zinc/51/47/49/388514749.db2.gz OUGMBFJOZHISFW-QWRGUYRKSA-N 2 1 240.347 1.141 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000516921187 388525027 /nfs/dbraw/zinc/52/50/27/388525027.db2.gz JHULSIHMJJOJQI-CABCVRRESA-N 2 1 245.370 1.720 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000348152225 388525632 /nfs/dbraw/zinc/52/56/32/388525632.db2.gz BHJHPNKJPYHSFC-IMSYWVGJSA-N 2 1 218.291 1.712 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000348152225 388525634 /nfs/dbraw/zinc/52/56/34/388525634.db2.gz BHJHPNKJPYHSFC-IMSYWVGJSA-N 2 1 218.291 1.712 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000348287055 388527967 /nfs/dbraw/zinc/52/79/67/388527967.db2.gz AODSXCBUTHXJCL-XDQVBPFNSA-N 2 1 242.407 1.569 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000379221210 388599555 /nfs/dbraw/zinc/59/95/55/388599555.db2.gz PVBSCTATORFXQW-OCCSQVGLSA-N 2 1 234.343 1.655 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000379217964 388600238 /nfs/dbraw/zinc/60/02/38/388600238.db2.gz OZFREJGGQSBXTC-UKRRQHHQSA-N 2 1 248.370 1.915 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000137438186 388560345 /nfs/dbraw/zinc/56/03/45/388560345.db2.gz UCEJQZSSGDBJCG-QWHCGFSZSA-N 2 1 248.374 1.346 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000549037507 388571237 /nfs/dbraw/zinc/57/12/37/388571237.db2.gz IEHZRQOJBIEOOU-NEPJUHHUSA-N 2 1 237.347 1.331 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCO)[C@@H](C)C1 ZINC000224552542 388665852 /nfs/dbraw/zinc/66/58/52/388665852.db2.gz HCNHUGKKHGTDTL-AVGNSLFASA-N 2 1 228.380 1.467 20 0 BDADMP COC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000248419433 388678541 /nfs/dbraw/zinc/67/85/41/388678541.db2.gz VCEHBRZGTIQUMB-STQMWFEESA-N 2 1 238.375 1.772 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)OC)C1 ZINC000248452718 388681435 /nfs/dbraw/zinc/68/14/35/388681435.db2.gz YVCLAIWCYXRMDC-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC000248452718 388681437 /nfs/dbraw/zinc/68/14/37/388681437.db2.gz YVCLAIWCYXRMDC-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC000248452718 388681439 /nfs/dbraw/zinc/68/14/39/388681439.db2.gz YVCLAIWCYXRMDC-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP C[C@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCCC[NH2+]1 ZINC000530219526 388631814 /nfs/dbraw/zinc/63/18/14/388631814.db2.gz JPFOGXUSTMSHBA-GMKTYKIGSA-N 2 1 224.348 1.286 20 0 BDADMP Cc1cnccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000530223878 388634119 /nfs/dbraw/zinc/63/41/19/388634119.db2.gz INAGAPZSHIRRTN-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000530223878 388634120 /nfs/dbraw/zinc/63/41/20/388634120.db2.gz INAGAPZSHIRRTN-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125993360 388684952 /nfs/dbraw/zinc/68/49/52/388684952.db2.gz AJCQAEFGJDTUQY-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247095759 388659093 /nfs/dbraw/zinc/65/90/93/388659093.db2.gz RZQWFTWAZCDXSE-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1CC[C@H](NCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000247095759 388659095 /nfs/dbraw/zinc/65/90/95/388659095.db2.gz RZQWFTWAZCDXSE-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1CC[C@H](NCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000247095759 388659096 /nfs/dbraw/zinc/65/90/96/388659096.db2.gz RZQWFTWAZCDXSE-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)COC)CC1 ZINC000124332897 388661903 /nfs/dbraw/zinc/66/19/03/388661903.db2.gz LWYIAYSPUCDSRS-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)COC)CC1 ZINC000124332897 388661904 /nfs/dbraw/zinc/66/19/04/388661904.db2.gz LWYIAYSPUCDSRS-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000247295815 388662490 /nfs/dbraw/zinc/66/24/90/388662490.db2.gz HQDFXUUXCBIYGB-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000247295815 388662492 /nfs/dbraw/zinc/66/24/92/388662492.db2.gz HQDFXUUXCBIYGB-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000247295815 388662494 /nfs/dbraw/zinc/66/24/94/388662494.db2.gz HQDFXUUXCBIYGB-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250576382 388737772 /nfs/dbraw/zinc/73/77/72/388737772.db2.gz FMGMMHGYZCMLLA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](C[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000250802027 388740707 /nfs/dbraw/zinc/74/07/07/388740707.db2.gz PCHJDPMOVTUYHV-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000251529493 388748137 /nfs/dbraw/zinc/74/81/37/388748137.db2.gz XLMCKLCVFNAMPS-VXGBXAGGSA-N 2 1 212.337 1.084 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000248659883 388689788 /nfs/dbraw/zinc/68/97/88/388689788.db2.gz VLABRDCFWMNYTM-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)CC ZINC000248733479 388692147 /nfs/dbraw/zinc/69/21/47/388692147.db2.gz LYSTYURGFWEYID-ITGUQSILSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CC ZINC000248733479 388692149 /nfs/dbraw/zinc/69/21/49/388692149.db2.gz LYSTYURGFWEYID-ITGUQSILSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CC ZINC000248733479 388692151 /nfs/dbraw/zinc/69/21/51/388692151.db2.gz LYSTYURGFWEYID-ITGUQSILSA-N 2 1 230.396 1.808 20 0 BDADMP C[C@H](C[S@](C)=O)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000126272335 388692796 /nfs/dbraw/zinc/69/27/96/388692796.db2.gz DRDSIUZLOUFCTK-BFQNTYOBSA-N 2 1 246.420 1.170 20 0 BDADMP C[C@H](C[S@](C)=O)[N@H+](C)CC[C@@H]1CCCN1C ZINC000126272335 388692797 /nfs/dbraw/zinc/69/27/97/388692797.db2.gz DRDSIUZLOUFCTK-BFQNTYOBSA-N 2 1 246.420 1.170 20 0 BDADMP C[C@H](C[S@](C)=O)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000126272335 388692800 /nfs/dbraw/zinc/69/28/00/388692800.db2.gz DRDSIUZLOUFCTK-BFQNTYOBSA-N 2 1 246.420 1.170 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000126407616 388695133 /nfs/dbraw/zinc/69/51/33/388695133.db2.gz MPBZMSWWWNNUSI-YPMHNXCESA-N 2 1 249.358 1.520 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000126407616 388695134 /nfs/dbraw/zinc/69/51/34/388695134.db2.gz MPBZMSWWWNNUSI-YPMHNXCESA-N 2 1 249.358 1.520 20 0 BDADMP CC[C@@]1(C)CN(CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000248995185 388703013 /nfs/dbraw/zinc/70/30/13/388703013.db2.gz XWOJHTKBJPHDDU-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@]1(C)CN(CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000248995187 388703223 /nfs/dbraw/zinc/70/32/23/388703223.db2.gz XWOJHTKBJPHDDU-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)OC)[C@H](C)C1 ZINC000249088224 388708817 /nfs/dbraw/zinc/70/88/17/388708817.db2.gz MVYMPXPVNGPWEO-WOPDTQHZSA-N 2 1 214.353 1.341 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)CC)C1 ZINC000249321012 388716954 /nfs/dbraw/zinc/71/69/54/388716954.db2.gz GDVXPUZILIQSNS-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249321012 388716957 /nfs/dbraw/zinc/71/69/57/388716957.db2.gz GDVXPUZILIQSNS-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249321012 388716958 /nfs/dbraw/zinc/71/69/58/388716958.db2.gz GDVXPUZILIQSNS-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000012481781 388720085 /nfs/dbraw/zinc/72/00/85/388720085.db2.gz DIQREXVGAWIWBR-WHOHXGKFSA-N 2 1 214.353 1.076 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249499553 388723799 /nfs/dbraw/zinc/72/37/99/388723799.db2.gz HIODOOAIRIBOFF-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249499553 388723800 /nfs/dbraw/zinc/72/38/00/388723800.db2.gz HIODOOAIRIBOFF-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249499553 388723803 /nfs/dbraw/zinc/72/38/03/388723803.db2.gz HIODOOAIRIBOFF-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@@H](C)C1 ZINC000552576457 388728767 /nfs/dbraw/zinc/72/87/67/388728767.db2.gz XXCKJDQECAIBHG-XUXIUFHCSA-N 2 1 240.391 1.610 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000538809645 388729131 /nfs/dbraw/zinc/72/91/31/388729131.db2.gz XKBRCCAXBZZMBX-GFCCVEGCSA-N 2 1 245.330 1.106 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000252937907 388793617 /nfs/dbraw/zinc/79/36/17/388793617.db2.gz HFMARUPKSYSHEC-IHRRRGAJSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@@H+](CCOC)CC[C@@H]1CCCC[NH+]1C ZINC000553938705 388794585 /nfs/dbraw/zinc/79/45/85/388794585.db2.gz LHCHOJCOVFPHOH-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CCOC)CC[C@@H]1CCCC[N@@H+]1C ZINC000553938705 388794589 /nfs/dbraw/zinc/79/45/89/388794589.db2.gz LHCHOJCOVFPHOH-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CCOC)CC[C@@H]1CCCC[N@H+]1C ZINC000553938705 388794591 /nfs/dbraw/zinc/79/45/91/388794591.db2.gz LHCHOJCOVFPHOH-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000252979269 388796435 /nfs/dbraw/zinc/79/64/35/388796435.db2.gz HCFYXYCCDMJBNF-VXGBXAGGSA-N 2 1 224.348 1.118 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000252979269 388796448 /nfs/dbraw/zinc/79/64/48/388796448.db2.gz HCFYXYCCDMJBNF-VXGBXAGGSA-N 2 1 224.348 1.118 20 0 BDADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCOC1 ZINC000230001134 388809570 /nfs/dbraw/zinc/80/95/70/388809570.db2.gz CTNYPMQFSNATPF-HNNXBMFYSA-N 2 1 248.370 1.874 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252687880 388772534 /nfs/dbraw/zinc/77/25/34/388772534.db2.gz MNSMIPQVNFKLDU-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@@H+]1C ZINC000252733469 388778052 /nfs/dbraw/zinc/77/80/52/388778052.db2.gz ZNAWAEVKCQSJIF-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1C ZINC000252733469 388778057 /nfs/dbraw/zinc/77/80/57/388778057.db2.gz ZNAWAEVKCQSJIF-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP COCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250169964 388784882 /nfs/dbraw/zinc/78/48/82/388784882.db2.gz LXNYVVLCWABEMQ-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250169964 388784886 /nfs/dbraw/zinc/78/48/86/388784886.db2.gz LXNYVVLCWABEMQ-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300006942 388844844 /nfs/dbraw/zinc/84/48/44/388844844.db2.gz WZTRCIHZRCNMBQ-CHWSQXEVSA-N 2 1 238.375 1.759 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129860429 388873260 /nfs/dbraw/zinc/87/32/60/388873260.db2.gz ODLJKKMZCLYYFV-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129644036 388860241 /nfs/dbraw/zinc/86/02/41/388860241.db2.gz GJGFFLYMULFCIK-OLZOCXBDSA-N 2 1 228.380 1.874 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](C)COC ZINC000564686343 388884443 /nfs/dbraw/zinc/88/44/43/388884443.db2.gz BFVPGFDYOMRXRU-ZDUSSCGKSA-N 2 1 230.396 1.933 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cnn(C(C)(C)C)c1 ZINC000564969423 388904402 /nfs/dbraw/zinc/90/44/02/388904402.db2.gz VCFCBASCDJDICF-UHFFFAOYSA-N 2 1 224.352 1.419 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cnn(C(C)(C)C)c1 ZINC000564969423 388904404 /nfs/dbraw/zinc/90/44/04/388904404.db2.gz VCFCBASCDJDICF-UHFFFAOYSA-N 2 1 224.352 1.419 20 0 BDADMP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000565718153 388966424 /nfs/dbraw/zinc/96/64/24/388966424.db2.gz HKONPHPLPALHIG-SDDRHHMPSA-N 2 1 241.379 1.055 20 0 BDADMP O[C@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000565544139 388952587 /nfs/dbraw/zinc/95/25/87/388952587.db2.gz QVPVSISZOUKZPM-FQUUOJAGSA-N 2 1 238.375 1.221 20 0 BDADMP O[C@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000565544139 388952583 /nfs/dbraw/zinc/95/25/83/388952583.db2.gz QVPVSISZOUKZPM-FQUUOJAGSA-N 2 1 238.375 1.221 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCN2CCC1CC2 ZINC000565801349 388969924 /nfs/dbraw/zinc/96/99/24/388969924.db2.gz OJYVBUFWZJXNPZ-NSHDSACASA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H](C)C[N@@H+]1CCN2CCC1CC2 ZINC000565801349 388969922 /nfs/dbraw/zinc/96/99/22/388969922.db2.gz OJYVBUFWZJXNPZ-NSHDSACASA-N 2 1 212.337 1.049 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000565843943 388973858 /nfs/dbraw/zinc/97/38/58/388973858.db2.gz TZPIVYCAELFNLP-VHSXEESVSA-N 2 1 223.320 1.597 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000565919334 388977606 /nfs/dbraw/zinc/97/76/06/388977606.db2.gz ILVSVCUJIUESQQ-JTQLQIEISA-N 2 1 223.295 1.712 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000565919335 388978374 /nfs/dbraw/zinc/97/83/74/388978374.db2.gz ILVSVCUJIUESQQ-SNVBAGLBSA-N 2 1 223.295 1.712 20 0 BDADMP COC(=O)CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566010379 388983034 /nfs/dbraw/zinc/98/30/34/388983034.db2.gz OSOPLDBRBQXBFO-ZDUSSCGKSA-N 2 1 240.347 1.015 20 0 BDADMP COCc1ccc(C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000268825298 389004483 /nfs/dbraw/zinc/00/44/83/389004483.db2.gz YTGJTVPCAYYASJ-UHFFFAOYSA-N 2 1 249.314 1.721 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnccn1 ZINC000271817118 389024977 /nfs/dbraw/zinc/02/49/77/389024977.db2.gz BPYIXRICWSLPAJ-NSHDSACASA-N 2 1 232.331 1.389 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000271856045 389025581 /nfs/dbraw/zinc/02/55/81/389025581.db2.gz UUOSUHQOFWCLDJ-UHFFFAOYSA-N 2 1 236.315 1.123 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccncc2)CC1 ZINC000271873129 389026167 /nfs/dbraw/zinc/02/61/67/389026167.db2.gz YLIJKZPQDWOOAL-UHFFFAOYSA-N 2 1 217.316 1.433 20 0 BDADMP C[C@H]([NH2+]CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491248 389033412 /nfs/dbraw/zinc/03/34/12/389033412.db2.gz NBQBNOSYYBXPDO-ZFWWWQNUSA-N 2 1 248.370 1.479 20 0 BDADMP C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000400357595 533405963 /nfs/dbraw/zinc/40/59/63/533405963.db2.gz BADKOLDYHUODMK-PWSUYJOCSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000400446946 533434585 /nfs/dbraw/zinc/43/45/85/533434585.db2.gz PUNQFUSZSLRREC-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368450759 132283512 /nfs/dbraw/zinc/28/35/12/132283512.db2.gz SPJYAWHDVBNCRT-TZMCWYRMSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1nccn1CC[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000335975318 134030715 /nfs/dbraw/zinc/03/07/15/134030715.db2.gz JIYYCBNKGAOLLE-NEPJUHHUSA-N 2 1 236.363 1.216 20 0 BDADMP Cc1nccn1CC[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000335975321 134030997 /nfs/dbraw/zinc/03/09/97/134030997.db2.gz JIYYCBNKGAOLLE-VXGBXAGGSA-N 2 1 236.363 1.216 20 0 BDADMP CC(C)N1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000336054618 134065721 /nfs/dbraw/zinc/06/57/21/134065721.db2.gz MZFZJRCDPFACMI-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)[N@@H+]1CCCN(CC2CC[NH2+]CC2)CC1 ZINC000336054618 134065722 /nfs/dbraw/zinc/06/57/22/134065722.db2.gz MZFZJRCDPFACMI-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)[N@H+]1CCCN(CC2CC[NH2+]CC2)CC1 ZINC000336054618 134065723 /nfs/dbraw/zinc/06/57/23/134065723.db2.gz MZFZJRCDPFACMI-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP c1c[nH]c([C@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000336056532 134066976 /nfs/dbraw/zinc/06/69/76/134066976.db2.gz UXJBJQKTWHJDRU-CYBMUJFWSA-N 2 1 248.374 1.936 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167572955 134070689 /nfs/dbraw/zinc/07/06/89/134070689.db2.gz NIKRNRJHNCBCIJ-AVGNSLFASA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](O)C1 ZINC000170793386 134254167 /nfs/dbraw/zinc/25/41/67/134254167.db2.gz BXGSZQBCDIAJCT-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](O)C1 ZINC000170793386 134254168 /nfs/dbraw/zinc/25/41/68/134254168.db2.gz BXGSZQBCDIAJCT-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000219864196 134292302 /nfs/dbraw/zinc/29/23/02/134292302.db2.gz KHKQWDAJWJKMMI-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000219864196 134292303 /nfs/dbraw/zinc/29/23/03/134292303.db2.gz KHKQWDAJWJKMMI-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178976466 134314003 /nfs/dbraw/zinc/31/40/03/134314003.db2.gz OKMXISGYQRKUCF-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CC2=CCCOC2)CC1 ZINC000179837057 134324410 /nfs/dbraw/zinc/32/44/10/134324410.db2.gz BNHCIGIGVPBNGY-UHFFFAOYSA-N 2 1 238.375 1.796 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@@H+]1C ZINC000181522315 134337393 /nfs/dbraw/zinc/33/73/93/134337393.db2.gz XFAPHODHPWZOMX-AVGNSLFASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@H+]1C ZINC000181522315 134337394 /nfs/dbraw/zinc/33/73/94/134337394.db2.gz XFAPHODHPWZOMX-AVGNSLFASA-N 2 1 242.407 1.856 20 0 BDADMP CCCn1cc(C[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000227285952 134379672 /nfs/dbraw/zinc/37/96/72/134379672.db2.gz DWVDWPBXZISKMH-GFCCVEGCSA-N 2 1 238.379 1.723 20 0 BDADMP CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)COC1 ZINC000227524073 134382728 /nfs/dbraw/zinc/38/27/28/134382728.db2.gz DIPAXYKWJANQEG-UHFFFAOYSA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000070656620 135005577 /nfs/dbraw/zinc/00/55/77/135005577.db2.gz QANLJWLTTJVSAC-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000250786260 135059001 /nfs/dbraw/zinc/05/90/01/135059001.db2.gz WPIKJIZKDZGHRN-JHJVBQTASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251801138 135077759 /nfs/dbraw/zinc/07/77/59/135077759.db2.gz YKLGLHWILXGARU-RDBSUJKOSA-N 2 1 248.374 1.488 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1[NH3+] ZINC000251853320 135079021 /nfs/dbraw/zinc/07/90/21/135079021.db2.gz RRIWELIHBCUNAK-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1C ZINC000252106240 135083363 /nfs/dbraw/zinc/08/33/63/135083363.db2.gz IYZYLKQCYWPRTR-RQJABVFESA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CCN1C ZINC000252106240 135083365 /nfs/dbraw/zinc/08/33/65/135083365.db2.gz IYZYLKQCYWPRTR-RQJABVFESA-N 2 1 239.407 1.576 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCc2sccc2C1 ZINC000086435344 135084033 /nfs/dbraw/zinc/08/40/33/135084033.db2.gz MBUUHCJIJQLSIL-UHFFFAOYSA-N 2 1 226.345 1.082 20 0 BDADMP C([NH2+]C1CCCCC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252513471 135092370 /nfs/dbraw/zinc/09/23/70/135092370.db2.gz RXOKRQOWJSFHCE-UONOGXRCSA-N 2 1 238.375 1.772 20 0 BDADMP C([NH2+]C1CCCCC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252513471 135092371 /nfs/dbraw/zinc/09/23/71/135092371.db2.gz RXOKRQOWJSFHCE-UONOGXRCSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252625808 135093109 /nfs/dbraw/zinc/09/31/09/135093109.db2.gz RJLDQXLXWMZGSL-QNWHQSFQSA-N 2 1 228.380 1.466 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673510 135095184 /nfs/dbraw/zinc/09/51/84/135095184.db2.gz KCAAYDNUTAIHEV-OLZOCXBDSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673510 135095186 /nfs/dbraw/zinc/09/51/86/135095186.db2.gz KCAAYDNUTAIHEV-OLZOCXBDSA-N 2 1 248.374 1.743 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252687461 135097206 /nfs/dbraw/zinc/09/72/06/135097206.db2.gz LJIKXHQFXQLEJM-RHYQMDGZSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252687461 135097208 /nfs/dbraw/zinc/09/72/08/135097208.db2.gz LJIKXHQFXQLEJM-RHYQMDGZSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2Cl)CC[NH2+]1 ZINC000086832977 135097359 /nfs/dbraw/zinc/09/73/59/135097359.db2.gz RONKWDVLHWNBRF-MRVPVSSYSA-N 2 1 211.696 1.533 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000252711878 135100008 /nfs/dbraw/zinc/10/00/08/135100008.db2.gz KVTXGKIZSLWRPY-CYDGBPFRSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000252711798 135100168 /nfs/dbraw/zinc/10/01/68/135100168.db2.gz KQAXJRZDJVRVHX-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252713739 135100409 /nfs/dbraw/zinc/10/04/09/135100409.db2.gz QBKNZEFZMHJDCV-DGCLKSJQSA-N 2 1 236.363 1.121 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252712310 135100474 /nfs/dbraw/zinc/10/04/74/135100474.db2.gz MBCSGCSPYPEJHA-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712310 135100476 /nfs/dbraw/zinc/10/04/76/135100476.db2.gz MBCSGCSPYPEJHA-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000086887269 135101039 /nfs/dbraw/zinc/10/10/39/135101039.db2.gz VMUAHBQJFIWCDK-MNOVXSKESA-N 2 1 205.305 1.564 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000252716205 135101088 /nfs/dbraw/zinc/10/10/88/135101088.db2.gz XXCHPIHEZIFPIM-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252716400 135101413 /nfs/dbraw/zinc/10/14/13/135101413.db2.gz YJNWMJLMSAGYAG-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252716400 135101414 /nfs/dbraw/zinc/10/14/14/135101414.db2.gz YJNWMJLMSAGYAG-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCOC)C1 ZINC000252717089 135102939 /nfs/dbraw/zinc/10/29/39/135102939.db2.gz ZTRSPKDZLUDMAD-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000086935437 135104426 /nfs/dbraw/zinc/10/44/26/135104426.db2.gz DJBPUGUMYCBLAH-JQWIXIFHSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252774174 135108306 /nfs/dbraw/zinc/10/83/06/135108306.db2.gz WJRYQBYSDKZSAA-PJSNJIKXSA-N 2 1 228.380 1.464 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252771522 135108490 /nfs/dbraw/zinc/10/84/90/135108490.db2.gz UPMSQWFCCIAHLW-WHOHXGKFSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252771522 135108491 /nfs/dbraw/zinc/10/84/91/135108491.db2.gz UPMSQWFCCIAHLW-WHOHXGKFSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000253069078 135120047 /nfs/dbraw/zinc/12/00/47/135120047.db2.gz LIIJGHWEHZTNSE-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CS1 ZINC000253277889 135125726 /nfs/dbraw/zinc/12/57/26/135125726.db2.gz JKQMRZSZGKZMHN-USZNOCQGSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CS1 ZINC000253277889 135125727 /nfs/dbraw/zinc/12/57/27/135125727.db2.gz JKQMRZSZGKZMHN-USZNOCQGSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000258206894 135132281 /nfs/dbraw/zinc/13/22/81/135132281.db2.gz XGXQDCCWUPBLGU-NSHDSACASA-N 2 1 200.301 1.420 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257700851 135140162 /nfs/dbraw/zinc/14/01/62/135140162.db2.gz QAXSPGLRBSOULO-LBPRGKRZSA-N 2 1 237.372 1.637 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257700851 135140163 /nfs/dbraw/zinc/14/01/63/135140163.db2.gz QAXSPGLRBSOULO-LBPRGKRZSA-N 2 1 237.372 1.637 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257719339 135140814 /nfs/dbraw/zinc/14/08/14/135140814.db2.gz PICXSJUHUMHCNX-GXTWGEPZSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257719339 135140816 /nfs/dbraw/zinc/14/08/16/135140816.db2.gz PICXSJUHUMHCNX-GXTWGEPZSA-N 2 1 231.343 1.828 20 0 BDADMP Cc1cc(C)c(C[N@@H+](C)C[C@H](O)C[NH3+])c(C)c1 ZINC000259221193 135141283 /nfs/dbraw/zinc/14/12/83/135141283.db2.gz XOJFJHJZEZSKDL-CYBMUJFWSA-N 2 1 236.359 1.363 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257742532 135141788 /nfs/dbraw/zinc/14/17/88/135141788.db2.gz ZDPRFWMOISJCFQ-AWEZNQCLSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257742532 135141789 /nfs/dbraw/zinc/14/17/89/135141789.db2.gz ZDPRFWMOISJCFQ-AWEZNQCLSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261545336 135143221 /nfs/dbraw/zinc/14/32/21/135143221.db2.gz FYWYWJSIAOCGHK-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261528438 135153414 /nfs/dbraw/zinc/15/34/14/135153414.db2.gz LRYWBNLZRJVLCS-GHMZBOCLSA-N 2 1 214.378 1.281 20 0 BDADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCF ZINC000261528784 135154445 /nfs/dbraw/zinc/15/44/45/135154445.db2.gz NVAQGFHURUTYTE-WDEREUQCSA-N 2 1 202.317 1.856 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000261529567 135155931 /nfs/dbraw/zinc/15/59/31/135155931.db2.gz BBGPTALPLNSOEG-MVWJERBFSA-N 2 1 222.357 1.917 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000261529700 135156789 /nfs/dbraw/zinc/15/67/89/135156789.db2.gz BKPGRDBQAXAXDF-NSHDSACASA-N 2 1 214.353 1.200 20 0 BDADMP CCc1cc(NC[C@@H](C)[NH2+]C)nc(C)[nH+]1 ZINC000261532222 135162904 /nfs/dbraw/zinc/16/29/04/135162904.db2.gz JRUXQJMHTAEYAD-MRVPVSSYSA-N 2 1 208.309 1.367 20 0 BDADMP CCc1nc(N(C)[C@@H](C)C[NH3+])cc(C)[nH+]1 ZINC000261532186 135162908 /nfs/dbraw/zinc/16/29/08/135162908.db2.gz JNYPYWZTYSXFPH-VIFPVBQESA-N 2 1 208.309 1.131 20 0 BDADMP C[C@]1(C[N@H+]2CCCC3(CC3)C2)CC[NH2+]C1 ZINC000261532874 135164357 /nfs/dbraw/zinc/16/43/57/135164357.db2.gz ANZZJBGIUMWINI-LBPRGKRZSA-N 2 1 208.349 1.862 20 0 BDADMP CCc1cc(N2C[C@H](C)[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000261534303 135166470 /nfs/dbraw/zinc/16/64/70/135166470.db2.gz PQSIJCPODBCSFB-GZMMTYOYSA-N 2 1 220.320 1.131 20 0 BDADMP C[C@H]1CCCN(Cc2noc(C[NH3+])n2)[C@H]1C ZINC000261534297 135166785 /nfs/dbraw/zinc/16/67/85/135166785.db2.gz PNZYDJSAMYVURJ-IUCAKERBSA-N 2 1 224.308 1.149 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261534471 135167035 /nfs/dbraw/zinc/16/70/35/135167035.db2.gz QWEVFCQQAKOYHE-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP COC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261534600 135167876 /nfs/dbraw/zinc/16/78/76/135167876.db2.gz MSHCAORFXDMQOK-WOPDTQHZSA-N 2 1 214.353 1.341 20 0 BDADMP Cc1nc(C)c(C[NH2+]CC2([NH3+])CCC2)s1 ZINC000261535130 135168449 /nfs/dbraw/zinc/16/84/49/135168449.db2.gz NVCFTTJTGOIMKT-UHFFFAOYSA-N 2 1 225.361 1.731 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000261535274 135169287 /nfs/dbraw/zinc/16/92/87/135169287.db2.gz XTCSEBDHTWAFJC-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000261535274 135169288 /nfs/dbraw/zinc/16/92/88/135169288.db2.gz XTCSEBDHTWAFJC-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP CCc1nc(N[C@@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000261535382 135169293 /nfs/dbraw/zinc/16/92/93/135169293.db2.gz OJHKZOJMMIPUHH-SECBINFHSA-N 2 1 206.293 1.121 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000261535290 135169767 /nfs/dbraw/zinc/16/97/67/135169767.db2.gz YBDYWKYJMNSYKY-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000261536322 135171717 /nfs/dbraw/zinc/17/17/17/135171717.db2.gz RGMJTHMAGCYOIY-QJPTWQEYSA-N 2 1 208.349 1.846 20 0 BDADMP Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261536393 135172322 /nfs/dbraw/zinc/17/23/22/135172322.db2.gz ROLNNQWVQFDLHN-DGCLKSJQSA-N 2 1 204.317 1.917 20 0 BDADMP Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261536393 135172324 /nfs/dbraw/zinc/17/23/24/135172324.db2.gz ROLNNQWVQFDLHN-DGCLKSJQSA-N 2 1 204.317 1.917 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261537852 135174984 /nfs/dbraw/zinc/17/49/84/135174984.db2.gz WLOKXUNHFYPQAR-SDDRHHMPSA-N 2 1 212.337 1.081 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261538077 135175346 /nfs/dbraw/zinc/17/53/46/135175346.db2.gz XJKWQILQZPZPGK-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP Cc1noc(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000261538120 135175429 /nfs/dbraw/zinc/17/54/29/135175429.db2.gz DRZMMAOITHPTIG-ZDUSSCGKSA-N 2 1 237.347 1.771 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261538044 135175540 /nfs/dbraw/zinc/17/55/40/135175540.db2.gz XGSBIOFQTSSAKU-MNOVXSKESA-N 2 1 214.353 1.328 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261538046 135175923 /nfs/dbraw/zinc/17/59/23/135175923.db2.gz XGSBIOFQTSSAKU-WDEREUQCSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000261540960 135179807 /nfs/dbraw/zinc/17/98/07/135179807.db2.gz ASEXFAYHKQSRKF-ZDUSSCGKSA-N 2 1 233.359 1.868 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261542856 135183134 /nfs/dbraw/zinc/18/31/34/135183134.db2.gz QTRQVUORPDARPM-UONOGXRCSA-N 2 1 241.423 1.825 20 0 BDADMP C[C@H]1CCSCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261544524 135185983 /nfs/dbraw/zinc/18/59/83/135185983.db2.gz IYRKAOYZBPUQBP-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H]1C[C@@H](NCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000261548902 135187610 /nfs/dbraw/zinc/18/76/10/135187610.db2.gz OAOPSRSJSOXDDF-TZMCWYRMSA-N 2 1 233.359 1.198 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261549224 135188337 /nfs/dbraw/zinc/18/83/37/135188337.db2.gz KFOAAMHPHDCPTA-JHJVBQTASA-N 2 1 231.343 1.684 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261549224 135188339 /nfs/dbraw/zinc/18/83/39/135188339.db2.gz KFOAAMHPHDCPTA-JHJVBQTASA-N 2 1 231.343 1.684 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2scnc2C)C1 ZINC000084149504 135188614 /nfs/dbraw/zinc/18/86/14/135188614.db2.gz AOZDYWZATKFCOW-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2scnc2C)C1 ZINC000084149504 135188617 /nfs/dbraw/zinc/18/86/17/135188617.db2.gz AOZDYWZATKFCOW-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CCOCC1 ZINC000261553254 135192939 /nfs/dbraw/zinc/19/29/39/135192939.db2.gz NRAOLTIZDGRUQR-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP CCc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc(C)[nH+]1 ZINC000261554630 135194785 /nfs/dbraw/zinc/19/47/85/135194785.db2.gz AZSSRCXOSAGKHE-RYUDHWBXSA-N 2 1 246.358 1.393 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261556485 135196802 /nfs/dbraw/zinc/19/68/02/135196802.db2.gz QUKWIFZDKRRAPZ-WCFLWFBJSA-N 2 1 234.347 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261556485 135196803 /nfs/dbraw/zinc/19/68/03/135196803.db2.gz QUKWIFZDKRRAPZ-WCFLWFBJSA-N 2 1 234.347 1.072 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000261559025 135199805 /nfs/dbraw/zinc/19/98/05/135199805.db2.gz YUENVNYQGOSCKI-XQQFMLRXSA-N 2 1 208.349 1.860 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261559690 135200084 /nfs/dbraw/zinc/20/00/84/135200084.db2.gz ZFRYNLIGGIIYKG-WDEREUQCSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261559866 135200598 /nfs/dbraw/zinc/20/05/98/135200598.db2.gz UEHGYCVQIJJOCZ-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP Cn1cc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261569884 135212281 /nfs/dbraw/zinc/21/22/81/135212281.db2.gz KCFMJVFORBCBOF-GXTWGEPZSA-N 2 1 248.374 1.557 20 0 BDADMP Cc1ncsc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261571316 135213546 /nfs/dbraw/zinc/21/35/46/135213546.db2.gz HKSHJJNZBBGMAH-GARJFASQSA-N 2 1 237.372 1.621 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOCC2CC2)C1 ZINC000261571660 135214164 /nfs/dbraw/zinc/21/41/64/135214164.db2.gz HQXWLOBNMKPXPI-LBPRGKRZSA-N 2 1 212.337 1.084 20 0 BDADMP COC1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000164239906 135217107 /nfs/dbraw/zinc/21/71/07/135217107.db2.gz OURYKSYGSBVWKG-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000261576385 135217230 /nfs/dbraw/zinc/21/72/30/135217230.db2.gz KJUALABTFFRETA-WCQYABFASA-N 2 1 219.332 1.478 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2CN(c3cc[nH+]cc3Cl)C[C@@H]12 ZINC000261576622 135217617 /nfs/dbraw/zinc/21/76/17/135217617.db2.gz KLKFQWBHNHAJNN-FXPVBKGRSA-N 2 1 237.734 1.909 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000261576616 135217864 /nfs/dbraw/zinc/21/78/64/135217864.db2.gz KLCYIMPEJNDKFH-ZWNOBZJWSA-N 2 1 219.332 1.478 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000084384864 135217995 /nfs/dbraw/zinc/21/79/95/135217995.db2.gz ZHKJKWOYIPRTHV-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cnn(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261578733 135219634 /nfs/dbraw/zinc/21/96/34/135219634.db2.gz PAHLNELNJYDJQR-IHRRRGAJSA-N 2 1 248.374 1.251 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261587392 135228411 /nfs/dbraw/zinc/22/84/11/135228411.db2.gz UZVBSVJFEJNJJT-KGLIPLIRSA-N 2 1 246.354 1.607 20 0 BDADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000261592091 135232465 /nfs/dbraw/zinc/23/24/65/135232465.db2.gz YEZWVTGXAMXKMB-JQWIXIFHSA-N 2 1 248.326 1.503 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000261596880 135236751 /nfs/dbraw/zinc/23/67/51/135236751.db2.gz ZAWUGJVUASMIOZ-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261545979 135238613 /nfs/dbraw/zinc/23/86/13/135238613.db2.gz GNJOYDMIZFXODE-BFHYXJOUSA-N 2 1 231.343 1.559 20 0 BDADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261547703 135240689 /nfs/dbraw/zinc/24/06/89/135240689.db2.gz IOQJGLFXHJDNTG-IHRRRGAJSA-N 2 1 240.391 1.611 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261634393 135241717 /nfs/dbraw/zinc/24/17/17/135241717.db2.gz DBXKOUIWVLYDPF-LBPRGKRZSA-N 2 1 239.388 1.876 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261634393 135241719 /nfs/dbraw/zinc/24/17/19/135241719.db2.gz DBXKOUIWVLYDPF-LBPRGKRZSA-N 2 1 239.388 1.876 20 0 BDADMP CN(C)c1ccccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261730553 135248248 /nfs/dbraw/zinc/24/82/48/135248248.db2.gz OFRXPCCJGKUZIN-OAHLLOKOSA-N 2 1 247.386 1.923 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000261728737 135248580 /nfs/dbraw/zinc/24/85/80/135248580.db2.gz OEHLCPQZYUHTKL-CQSZACIVSA-N 2 1 244.342 1.734 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000261747086 135249693 /nfs/dbraw/zinc/24/96/93/135249693.db2.gz PTWQSHIZSGVWKM-AWEZNQCLSA-N 2 1 244.342 1.734 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261879621 135258834 /nfs/dbraw/zinc/25/88/34/135258834.db2.gz QREZMKGUZROSEW-DGCLKSJQSA-N 2 1 240.347 1.014 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261877821 135259441 /nfs/dbraw/zinc/25/94/41/135259441.db2.gz YEDCZMRHLIUARG-FPMFFAJLSA-N 2 1 234.343 1.448 20 0 BDADMP Cn1ncc(Cl)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000261915699 135262669 /nfs/dbraw/zinc/26/26/69/135262669.db2.gz JWKNXUKZXKTFBJ-UHFFFAOYSA-N 2 1 242.754 1.244 20 0 BDADMP C[C@@H]1[C@H](C)N(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000261928560 135263762 /nfs/dbraw/zinc/26/37/62/135263762.db2.gz LGZTUIATVLDGDA-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP C1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261939922 135264782 /nfs/dbraw/zinc/26/47/82/135264782.db2.gz MRKXQUGVPKARLI-UPJWGTAASA-N 2 1 224.348 1.286 20 0 BDADMP C1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261939930 135265372 /nfs/dbraw/zinc/26/53/72/135265372.db2.gz MRKXQUGVPKARLI-YNEHKIRRSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H]3COCC[C@H]32)CC[NH2+]C1 ZINC000261954964 135265806 /nfs/dbraw/zinc/26/58/06/135265806.db2.gz GPDKQKCMUDHBMB-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000261966900 135266658 /nfs/dbraw/zinc/26/66/58/135266658.db2.gz PXXUKNXXQIBCPR-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000261966900 135266660 /nfs/dbraw/zinc/26/66/60/135266660.db2.gz PXXUKNXXQIBCPR-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP Oc1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261995601 135270525 /nfs/dbraw/zinc/27/05/25/135270525.db2.gz SVHHJFWKTGOYFH-LBPRGKRZSA-N 2 1 246.354 1.750 20 0 BDADMP Oc1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261995601 135270526 /nfs/dbraw/zinc/27/05/26/135270526.db2.gz SVHHJFWKTGOYFH-LBPRGKRZSA-N 2 1 246.354 1.750 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262007761 135272038 /nfs/dbraw/zinc/27/20/38/135272038.db2.gz USVVRGSEVFUSSU-ICIURTGMSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@]1(C[N@H+]2CCc3cc[nH]c(=O)c3C2)CC[NH2+]C1 ZINC000262012262 135272347 /nfs/dbraw/zinc/27/23/47/135272347.db2.gz MHWNSVFGRRFGBJ-CQSZACIVSA-N 2 1 247.342 1.145 20 0 BDADMP CC1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000262035124 135274976 /nfs/dbraw/zinc/27/49/76/135274976.db2.gz XXTIZIBXUBKOJV-YTPFDHIKSA-N 2 1 238.375 1.532 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CC(C)(C)[NH3+])C[C@@H]1C ZINC000262041769 135275042 /nfs/dbraw/zinc/27/50/42/135275042.db2.gz YJEXNTXNNPFRGM-NWDGAFQWSA-N 2 1 227.396 1.528 20 0 BDADMP c1csc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000262105005 135279054 /nfs/dbraw/zinc/27/90/54/135279054.db2.gz VXMAOWKCRQGKRE-UHFFFAOYSA-N 2 1 237.372 1.719 20 0 BDADMP Oc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000262235532 135286456 /nfs/dbraw/zinc/28/64/56/135286456.db2.gz OLFBAKUSXBBZPY-UHFFFAOYSA-N 2 1 246.354 1.750 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]CCCC[NH3+])c2ccccc21 ZINC000079235748 135295469 /nfs/dbraw/zinc/29/54/69/135295469.db2.gz MFUKYKDHABELAJ-QWHCGFSZSA-N 2 1 219.332 1.460 20 0 BDADMP C[NH+](C)C1(C[NH2+][C@H]2CCC2(C)C)CCOCC1 ZINC000342695360 135306240 /nfs/dbraw/zinc/30/62/40/135306240.db2.gz GTVNVHMWRHXOAW-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(C)(C)[NH3+] ZINC000262653154 135311239 /nfs/dbraw/zinc/31/12/39/135311239.db2.gz SHPPRYXKVQTIGJ-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[NH3+])C1 ZINC000263062625 135330799 /nfs/dbraw/zinc/33/07/99/135330799.db2.gz VMHNMYDUWDQRBH-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000334277253 135333331 /nfs/dbraw/zinc/33/33/31/135333331.db2.gz SQSCNCVZYFUSFP-DGCLKSJQSA-N 3 1 225.380 1.045 20 0 BDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000263116724 135334137 /nfs/dbraw/zinc/33/41/37/135334137.db2.gz AQIRRTMXSYIUBV-CMPLNLGQSA-N 2 1 240.734 1.010 20 0 BDADMP C[N@@H+](CC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000334308150 135350220 /nfs/dbraw/zinc/35/02/20/135350220.db2.gz DSNHBJOURZZKKS-FUNVUKJBSA-N 2 1 208.349 1.953 20 0 BDADMP C[NH+](CC1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000334308150 135350221 /nfs/dbraw/zinc/35/02/21/135350221.db2.gz DSNHBJOURZZKKS-FUNVUKJBSA-N 2 1 208.349 1.953 20 0 BDADMP C[NH+](CC1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000334308150 135350222 /nfs/dbraw/zinc/35/02/22/135350222.db2.gz DSNHBJOURZZKKS-FUNVUKJBSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086725365 135494941 /nfs/dbraw/zinc/49/49/41/135494941.db2.gz HMIOOJWQXLGTRB-AAEUAGOBSA-N 2 1 204.317 1.742 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000334616721 135781425 /nfs/dbraw/zinc/78/14/25/135781425.db2.gz VSIMEGQWKJOFFK-CHWSQXEVSA-N 2 1 219.332 1.750 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CC1(O)CCC1)CC2 ZINC000335305806 136022092 /nfs/dbraw/zinc/02/20/92/136022092.db2.gz IFKGVUJTDHRYJM-UHFFFAOYSA-N 2 1 238.375 1.462 20 0 BDADMP Cc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000335308509 136027785 /nfs/dbraw/zinc/02/77/85/136027785.db2.gz LIEKEBOZOODYDX-ZDUSSCGKSA-N 2 1 249.358 1.947 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000348141633 136038916 /nfs/dbraw/zinc/03/89/16/136038916.db2.gz ZDFRSTGVUCLFPL-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000335344412 136065673 /nfs/dbraw/zinc/06/56/73/136065673.db2.gz HWXMWCFUSPZYLT-QWHCGFSZSA-N 2 1 249.358 1.636 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335400319 136094402 /nfs/dbraw/zinc/09/44/02/136094402.db2.gz CTXDQASMABGALJ-AWEZNQCLSA-N 2 1 237.391 1.062 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC3CC3)C2)C1 ZINC000335571549 136109723 /nfs/dbraw/zinc/10/97/23/136109723.db2.gz FZICLEWVXGDWKY-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC000335571549 136109724 /nfs/dbraw/zinc/10/97/24/136109724.db2.gz FZICLEWVXGDWKY-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP CC[NH+](CC)CCC[NH+]1CCC(O)CC1 ZINC000075139234 322860419 /nfs/dbraw/zinc/86/04/19/322860419.db2.gz GYIQOBRODJNCPL-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000381609179 397763676 /nfs/dbraw/zinc/76/36/76/397763676.db2.gz RJZKPHYSXXMWKF-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000381609177 397763845 /nfs/dbraw/zinc/76/38/45/397763845.db2.gz RJZKPHYSXXMWKF-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP Cc1ncccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531269 397779469 /nfs/dbraw/zinc/77/94/69/397779469.db2.gz KWMDVILEAYPGRE-UHFFFAOYSA-N 2 1 219.332 1.703 20 0 BDADMP CCCCN(CC)Cc1noc(C[NH3+])n1 ZINC000300903245 397783184 /nfs/dbraw/zinc/78/31/84/397783184.db2.gz NVYBQWQRXRSEHY-UHFFFAOYSA-N 2 1 212.297 1.150 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@H](C)CCSC ZINC000156881831 397927090 /nfs/dbraw/zinc/92/70/90/397927090.db2.gz QIDCASRMYHIWKQ-SNVBAGLBSA-N 2 1 204.383 1.669 20 0 BDADMP CC(C)(C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000082432944 397919583 /nfs/dbraw/zinc/91/95/83/397919583.db2.gz STIRWBLUBRJMMU-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)(C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000082432944 397919586 /nfs/dbraw/zinc/91/95/86/397919586.db2.gz STIRWBLUBRJMMU-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H](C)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649622687 398006699 /nfs/dbraw/zinc/00/66/99/398006699.db2.gz QUPVWAUXYQFFKZ-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H](C)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649622686 398007181 /nfs/dbraw/zinc/00/71/81/398007181.db2.gz QUPVWAUXYQFFKZ-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CO[C@H](C)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000373311679 398020288 /nfs/dbraw/zinc/02/02/88/398020288.db2.gz SUGAUWDUUGACDU-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000647934803 398034448 /nfs/dbraw/zinc/03/44/48/398034448.db2.gz REJIQZRGBQEURW-GXTWGEPZSA-N 2 1 233.359 1.828 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCOC1 ZINC000649755866 398087760 /nfs/dbraw/zinc/08/77/60/398087760.db2.gz ZTPSSDOQJDDDEZ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCOC1 ZINC000649755866 398087762 /nfs/dbraw/zinc/08/77/62/398087762.db2.gz ZTPSSDOQJDDDEZ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000649755866 398087765 /nfs/dbraw/zinc/08/77/65/398087765.db2.gz ZTPSSDOQJDDDEZ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C1(C2CCC2)CC1)C1CC1 ZINC000649811403 398119208 /nfs/dbraw/zinc/11/92/08/398119208.db2.gz QGTCFIKVSHSLIQ-ZDUSSCGKSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(C2CCC2)CC1)C1CC1 ZINC000649811403 398119210 /nfs/dbraw/zinc/11/92/10/398119210.db2.gz QGTCFIKVSHSLIQ-ZDUSSCGKSA-N 2 1 238.375 1.364 20 0 BDADMP CC(C)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000061935414 398109280 /nfs/dbraw/zinc/10/92/80/398109280.db2.gz OIRVZLOZVRDCJW-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000393915702 398124905 /nfs/dbraw/zinc/12/49/05/398124905.db2.gz SRDFDBKAXUCHOF-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+](CCCCn1cc[nH+]c1C)CCOC ZINC000336711304 398134721 /nfs/dbraw/zinc/13/47/21/398134721.db2.gz RAYXNZHWWJSKTC-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CCOC ZINC000336711304 398134725 /nfs/dbraw/zinc/13/47/25/398134725.db2.gz RAYXNZHWWJSKTC-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CCCCO)CC1 ZINC000108371664 167094957 /nfs/dbraw/zinc/09/49/57/167094957.db2.gz HKSSRPJLBHDUOR-UHFFFAOYSA-N 2 1 214.353 1.221 20 0 BDADMP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000258801010 322876164 /nfs/dbraw/zinc/87/61/64/322876164.db2.gz CECKVSZIMPOKOY-QWHCGFSZSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000258801006 322875878 /nfs/dbraw/zinc/87/58/78/322875878.db2.gz CECKVSZIMPOKOY-CHWSQXEVSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCCC12CCN([C@H]1CCCOC1)CC2 ZINC000680076721 487529700 /nfs/dbraw/zinc/52/97/00/487529700.db2.gz XBBAMNUJUCIFRT-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCCOC1)CC2 ZINC000680076721 487529703 /nfs/dbraw/zinc/52/97/03/487529703.db2.gz XBBAMNUJUCIFRT-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCCC12CC[NH+]([C@H]1CCCOC1)CC2 ZINC000680076721 487529708 /nfs/dbraw/zinc/52/97/08/487529708.db2.gz XBBAMNUJUCIFRT-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC(C[NH2+]Cc2n[nH]cc2C)CC1 ZINC000685615058 487564459 /nfs/dbraw/zinc/56/44/59/487564459.db2.gz HXQZSVQUXQUIAM-UHFFFAOYSA-N 2 1 236.363 1.540 20 0 BDADMP CO[C@@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308880706 487570199 /nfs/dbraw/zinc/57/01/99/487570199.db2.gz CWTDPTZTFMFPEW-JTQLQIEISA-N 2 1 212.337 1.238 20 0 BDADMP Cn1ncc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334848220 487573651 /nfs/dbraw/zinc/57/36/51/487573651.db2.gz PDRAXNSHIYATOO-RKDXNWHRSA-N 2 1 242.754 1.433 20 0 BDADMP CC(C)OCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000043617100 167231056 /nfs/dbraw/zinc/23/10/56/167231056.db2.gz CULHHMXYUNBEGK-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000043617100 167231057 /nfs/dbraw/zinc/23/10/57/167231057.db2.gz CULHHMXYUNBEGK-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000383102648 487587216 /nfs/dbraw/zinc/58/72/16/487587216.db2.gz CEVMCRSKTOBQQH-GHMZBOCLSA-N 2 1 237.347 1.905 20 0 BDADMP CC/C=C\C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773366 487588758 /nfs/dbraw/zinc/58/87/58/487588758.db2.gz XHOJSQNPECIALK-NQHOJNORSA-N 2 1 238.375 1.796 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000662266290 409564759 /nfs/dbraw/zinc/56/47/59/409564759.db2.gz LDUWIIKHBYLBGK-ZJUUUORDSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000662266290 409564767 /nfs/dbraw/zinc/56/47/67/409564767.db2.gz LDUWIIKHBYLBGK-ZJUUUORDSA-N 2 1 223.320 1.406 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253736 409552641 /nfs/dbraw/zinc/55/26/41/409552641.db2.gz CAMVOEVSNSBECC-UPJWGTAASA-N 2 1 238.375 1.628 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662280791 409600810 /nfs/dbraw/zinc/60/08/10/409600810.db2.gz FVMJKPJWSHTHEC-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662280791 409600812 /nfs/dbraw/zinc/60/08/12/409600812.db2.gz FVMJKPJWSHTHEC-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621828 409793310 /nfs/dbraw/zinc/79/33/10/409793310.db2.gz XAACXYSNUYEGHJ-MNOVXSKESA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621830 409793505 /nfs/dbraw/zinc/79/35/05/409793505.db2.gz XAACXYSNUYEGHJ-WDEREUQCSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000128614530 410084071 /nfs/dbraw/zinc/08/40/71/410084071.db2.gz NFBARPZRUBDJLY-GHMZBOCLSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000128614530 410084074 /nfs/dbraw/zinc/08/40/74/410084074.db2.gz NFBARPZRUBDJLY-GHMZBOCLSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1C ZINC000133121351 410105806 /nfs/dbraw/zinc/10/58/06/410105806.db2.gz GOZIUUAOASGQDA-IUODEOHRSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@H](CO)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000650714940 410347794 /nfs/dbraw/zinc/34/77/94/410347794.db2.gz IAOBMYHZHPOADU-SNVBAGLBSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CC[NH3+])CC1 ZINC000650722285 410361302 /nfs/dbraw/zinc/36/13/02/410361302.db2.gz ORIRZBCIDIIMKP-ZDUSSCGKSA-N 2 1 227.396 1.421 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000650739827 410371737 /nfs/dbraw/zinc/37/17/37/410371737.db2.gz AAHTXQZDZMUMGM-KGLIPLIRSA-N 2 1 241.423 1.681 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000650739827 410371741 /nfs/dbraw/zinc/37/17/41/410371741.db2.gz AAHTXQZDZMUMGM-KGLIPLIRSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000650739827 410371747 /nfs/dbraw/zinc/37/17/47/410371747.db2.gz AAHTXQZDZMUMGM-KGLIPLIRSA-N 3 1 241.423 1.681 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745818 410383116 /nfs/dbraw/zinc/38/31/16/410383116.db2.gz OJLWMSOBYSZNJD-SECBINFHSA-N 2 1 222.336 1.498 20 0 BDADMP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000650762011 410410687 /nfs/dbraw/zinc/41/06/87/410410687.db2.gz QBHNGWLGQXIFGS-JSGCOSHPSA-N 2 1 239.407 1.496 20 0 BDADMP CC[C@@H](NCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000650762260 410411213 /nfs/dbraw/zinc/41/12/13/410411213.db2.gz YITXQNRKHZXXHO-KGLIPLIRSA-N 2 1 239.407 1.496 20 0 BDADMP CC[C@H](COCC1CC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665236581 410727146 /nfs/dbraw/zinc/72/71/46/410727146.db2.gz QAIIAMPTSHSFSM-BNOWGMLFSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nccn1C ZINC000665283011 410762628 /nfs/dbraw/zinc/76/26/28/410762628.db2.gz GCNPMAFEOCQHBV-DCAQKATOSA-N 2 1 222.336 1.341 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000653299344 410816846 /nfs/dbraw/zinc/81/68/46/410816846.db2.gz PSAKQDUBHNWCGT-OCCSQVGLSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396470020 410885967 /nfs/dbraw/zinc/88/59/67/410885967.db2.gz WPGDDYQJBCCBNW-WCQYABFASA-N 3 1 225.380 1.058 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000309420017 167216694 /nfs/dbraw/zinc/21/66/94/167216694.db2.gz JTCCATGKWTULIJ-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128144006 167246984 /nfs/dbraw/zinc/24/69/84/167246984.db2.gz QKNWLXXHBUJCKX-NEPJUHHUSA-N 2 1 214.353 1.484 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000336772267 167254565 /nfs/dbraw/zinc/25/45/65/167254565.db2.gz XZJUPVMSGCESIB-LLVKDONJSA-N 2 1 214.353 1.484 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000394610396 411073046 /nfs/dbraw/zinc/07/30/46/411073046.db2.gz SACIENMBYXKFGJ-JTQLQIEISA-N 2 1 224.304 1.207 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000394610396 411073051 /nfs/dbraw/zinc/07/30/51/411073051.db2.gz SACIENMBYXKFGJ-JTQLQIEISA-N 2 1 224.304 1.207 20 0 BDADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000300136695 411077726 /nfs/dbraw/zinc/07/77/26/411077726.db2.gz RLGWJVDBYMKCFX-MJBXVCDLSA-N 2 1 237.391 1.345 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309322486 411028912 /nfs/dbraw/zinc/02/89/12/411028912.db2.gz HFDRYQUOZOGSAF-STQMWFEESA-N 3 1 229.412 1.824 20 0 BDADMP c1c2cnccc2oc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000651651805 411132989 /nfs/dbraw/zinc/13/29/89/411132989.db2.gz LGZPQCRAIKPHBV-RYUDHWBXSA-N 2 1 243.310 1.479 20 0 BDADMP CCc1noc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000070170544 411137288 /nfs/dbraw/zinc/13/72/88/411137288.db2.gz HDLUROVYNBAHDB-JTQLQIEISA-N 2 1 238.335 1.193 20 0 BDADMP CCc1noc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000070170544 411137289 /nfs/dbraw/zinc/13/72/89/411137289.db2.gz HDLUROVYNBAHDB-JTQLQIEISA-N 2 1 238.335 1.193 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000045044483 411143632 /nfs/dbraw/zinc/14/36/32/411143632.db2.gz XFOAUPHLXATCJG-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000651865710 411147647 /nfs/dbraw/zinc/14/76/47/411147647.db2.gz FMLKVAFEARLMQW-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+]C1CSC1 ZINC000651866114 411147773 /nfs/dbraw/zinc/14/77/73/411147773.db2.gz VNKZRTJOVKVKAZ-UHFFFAOYSA-N 2 1 216.394 1.669 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CSC1 ZINC000651866114 411147774 /nfs/dbraw/zinc/14/77/74/411147774.db2.gz VNKZRTJOVKVKAZ-UHFFFAOYSA-N 2 1 216.394 1.669 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[NH2+]C1 ZINC000214059842 411109133 /nfs/dbraw/zinc/10/91/33/411109133.db2.gz DGECKAFFKAXLIU-GFCCVEGCSA-N 2 1 248.326 1.457 20 0 BDADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[NH2+]C1 ZINC000214059842 411109137 /nfs/dbraw/zinc/10/91/37/411109137.db2.gz DGECKAFFKAXLIU-GFCCVEGCSA-N 2 1 248.326 1.457 20 0 BDADMP CCc1noc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000110650938 411113854 /nfs/dbraw/zinc/11/38/54/411113854.db2.gz OUPBHKUGOPENTF-SECBINFHSA-N 2 1 238.335 1.191 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCC(C)(C)C)CCO1 ZINC000300841686 411127043 /nfs/dbraw/zinc/12/70/43/411127043.db2.gz JVYXMGNEDKXAGZ-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCC(C)(C)C)CCO1 ZINC000300841686 411127044 /nfs/dbraw/zinc/12/70/44/411127044.db2.gz JVYXMGNEDKXAGZ-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H](CCO)[N@H+](C)CCCc1c[nH+]cn1C ZINC000653780052 411168866 /nfs/dbraw/zinc/16/88/66/411168866.db2.gz RMMGLEHHLQQJJI-NSHDSACASA-N 2 1 225.336 1.055 20 0 BDADMP C[C@@H](CCO)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653780052 411168868 /nfs/dbraw/zinc/16/88/68/411168868.db2.gz RMMGLEHHLQQJJI-NSHDSACASA-N 2 1 225.336 1.055 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2cccs2)C1 ZINC000401682204 411170038 /nfs/dbraw/zinc/17/00/38/411170038.db2.gz SRVNRDPIJYNXPO-QWRGUYRKSA-N 2 1 224.373 1.878 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)CO ZINC000653693770 411184298 /nfs/dbraw/zinc/18/42/98/411184298.db2.gz OEYHXOYXMVXWDF-LLVKDONJSA-N 2 1 225.336 1.055 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)CO ZINC000653693770 411184301 /nfs/dbraw/zinc/18/43/01/411184301.db2.gz OEYHXOYXMVXWDF-LLVKDONJSA-N 2 1 225.336 1.055 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1CC(CF)(CF)C1 ZINC000657983310 411189435 /nfs/dbraw/zinc/18/94/35/411189435.db2.gz SBMZFLARDGNHQB-UHFFFAOYSA-N 2 1 243.301 1.640 20 0 BDADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000309663429 411197017 /nfs/dbraw/zinc/19/70/17/411197017.db2.gz ZDEXEJXEPKLETR-JTQLQIEISA-N 2 1 208.349 1.716 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCn2nccc21)C[NH+](C)C ZINC000658019512 411199487 /nfs/dbraw/zinc/19/94/87/411199487.db2.gz ZVLAZZJXOBJTET-NEPJUHHUSA-N 2 1 236.363 1.505 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000656194209 411199930 /nfs/dbraw/zinc/19/99/30/411199930.db2.gz DTIKEXNADARRQC-SDDRHHMPSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000656200086 411204818 /nfs/dbraw/zinc/20/48/18/411204818.db2.gz JKLPVUFXWGAHQJ-RVMXOQNASA-N 2 1 225.380 1.057 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@@H](C)C[NH+](C)C)CC1 ZINC000310258186 411230712 /nfs/dbraw/zinc/23/07/12/411230712.db2.gz PURRKEUXVNNMEH-CYBMUJFWSA-N 3 1 241.423 1.648 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNc1ccccn1 ZINC000422827716 411233624 /nfs/dbraw/zinc/23/36/24/411233624.db2.gz FFKTWYGSQYGRLW-STQMWFEESA-N 2 1 248.374 1.471 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000422883710 411233870 /nfs/dbraw/zinc/23/38/70/411233870.db2.gz VKTUNLYJJQJGOE-UONOGXRCSA-N 2 1 239.407 1.720 20 0 BDADMP COC[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000658082034 411233919 /nfs/dbraw/zinc/23/39/19/411233919.db2.gz FZAKDFGLNPDSPD-UPJWGTAASA-N 2 1 244.379 1.110 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000422976201 411235208 /nfs/dbraw/zinc/23/52/08/411235208.db2.gz IBKPEEDPPVZVBF-KFWWJZLASA-N 2 1 248.370 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCC2)CC[N@@H+]1C ZINC000658086173 411235620 /nfs/dbraw/zinc/23/56/20/411235620.db2.gz FMUDUDJOWJTZFN-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCC2)CC[N@H+]1C ZINC000658086173 411235623 /nfs/dbraw/zinc/23/56/23/411235623.db2.gz FMUDUDJOWJTZFN-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423233131 411237877 /nfs/dbraw/zinc/23/78/77/411237877.db2.gz JCUKAFPTIVPPHC-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CCOC(=O)C1CCC([NH2+][C@@H](C)C[NH2+]C)CC1 ZINC000596108760 411166784 /nfs/dbraw/zinc/16/67/84/411166784.db2.gz XVAJRSFSPHNASS-UNXYVOJBSA-N 2 1 242.363 1.306 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000050953249 411268809 /nfs/dbraw/zinc/26/88/09/411268809.db2.gz MHDUSQOKZAXTPG-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@@H+](CCC[NH2+]C)[C@H]1CCCOC1 ZINC000402594354 411269997 /nfs/dbraw/zinc/26/99/97/411269997.db2.gz NIIMEAHTZFHLJX-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCCn3ccnc32)CC[N@H+]1C ZINC000655715430 411270266 /nfs/dbraw/zinc/27/02/66/411270266.db2.gz KCEIAEBGPGPWIK-AGIUHOORSA-N 2 1 248.374 1.790 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1(CO)CC1 ZINC000658159780 411273198 /nfs/dbraw/zinc/27/31/98/411273198.db2.gz KVUZTLMXIRWMOZ-GRYCIOLGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1(CO)CC1 ZINC000658159780 411273200 /nfs/dbraw/zinc/27/32/00/411273200.db2.gz KVUZTLMXIRWMOZ-GRYCIOLGSA-N 2 1 226.364 1.220 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000658161950 411275301 /nfs/dbraw/zinc/27/53/01/411275301.db2.gz PXDGWTFSXQIKHN-MQMHXKEQSA-N 2 1 238.375 1.770 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2(CO)CC2)[C@H](C)C1 ZINC000658162416 411276422 /nfs/dbraw/zinc/27/64/22/411276422.db2.gz XJOFKCQGLSRNEP-AGIUHOORSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)C1CCOCC1 ZINC000401715196 411299083 /nfs/dbraw/zinc/29/90/83/411299083.db2.gz KPZPLMSCHDUTPL-LOWVWBTDSA-N 2 1 226.364 1.389 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3(F)CC3)C[C@@H]21 ZINC000309420163 411307110 /nfs/dbraw/zinc/30/71/10/411307110.db2.gz XUMCPRMISLXCHB-OUAUKWLOSA-N 2 1 212.312 1.548 20 0 BDADMP CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1CCCOC1 ZINC000402727406 411310401 /nfs/dbraw/zinc/31/04/01/411310401.db2.gz ZTBTWJHDXFSOGJ-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1CCCOC1 ZINC000402727406 411310403 /nfs/dbraw/zinc/31/04/03/411310403.db2.gz ZTBTWJHDXFSOGJ-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655699440 411249575 /nfs/dbraw/zinc/24/95/75/411249575.db2.gz ADFXKIRPQJSNCR-MBNYWOFBSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655699435 411249621 /nfs/dbraw/zinc/24/96/21/411249621.db2.gz ADFXKIRPQJSNCR-BZPMIXESSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[C@H]([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656441303 411260566 /nfs/dbraw/zinc/26/05/66/411260566.db2.gz YEPAAXIVZQWEMI-NSHDSACASA-N 2 1 217.276 1.318 20 0 BDADMP CC(C)CC1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000662066375 411355319 /nfs/dbraw/zinc/35/53/19/411355319.db2.gz KIRKMGMVBANRJX-ZDUSSCGKSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)CC1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000662066375 411355323 /nfs/dbraw/zinc/35/53/23/411355323.db2.gz KIRKMGMVBANRJX-ZDUSSCGKSA-N 2 1 240.391 1.610 20 0 BDADMP CCn1cc[nH+]c1NCc1c[nH+]c(C)n1C ZINC000656776793 411356022 /nfs/dbraw/zinc/35/60/22/411356022.db2.gz YXGYFQDQDJPQKL-UHFFFAOYSA-N 2 1 219.292 1.557 20 0 BDADMP C[C@@H](C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1)C(C)(C)C ZINC000304282619 411358329 /nfs/dbraw/zinc/35/83/29/411358329.db2.gz MLCOKDJPUDWUBO-SRVKXCTJSA-N 2 1 228.380 1.717 20 0 BDADMP COC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123476021 411367773 /nfs/dbraw/zinc/36/77/73/411367773.db2.gz SOWHDSMDMCUKSM-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123476021 411367776 /nfs/dbraw/zinc/36/77/76/411367776.db2.gz SOWHDSMDMCUKSM-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123476021 411367782 /nfs/dbraw/zinc/36/77/82/411367782.db2.gz SOWHDSMDMCUKSM-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123476021 411367786 /nfs/dbraw/zinc/36/77/86/411367786.db2.gz SOWHDSMDMCUKSM-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CC2=CCCOC2)CC[NH2+]1 ZINC000656791231 411370586 /nfs/dbraw/zinc/37/05/86/411370586.db2.gz XBCCRABWGINIBG-QWHCGFSZSA-N 2 1 238.375 1.653 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000653763488 411344420 /nfs/dbraw/zinc/34/44/20/411344420.db2.gz LZDFPVCYYDQNOS-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000653763488 411344423 /nfs/dbraw/zinc/34/44/23/411344423.db2.gz LZDFPVCYYDQNOS-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000653763488 411344426 /nfs/dbraw/zinc/34/44/26/411344426.db2.gz LZDFPVCYYDQNOS-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CCO[C@@H]1C[N@@H+]([C@H](C)c2cccnc2)C[C@H]1C[NH3+] ZINC000405256196 411422039 /nfs/dbraw/zinc/42/20/39/411422039.db2.gz NJLBMECQXBDQEM-MRVWCRGKSA-N 2 1 249.358 1.438 20 0 BDADMP CCO[C@@H]1C[N@H+]([C@H](C)c2cccnc2)C[C@H]1C[NH3+] ZINC000405256196 411422044 /nfs/dbraw/zinc/42/20/44/411422044.db2.gz NJLBMECQXBDQEM-MRVWCRGKSA-N 2 1 249.358 1.438 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C[NH3+] ZINC000405550354 411434478 /nfs/dbraw/zinc/43/44/78/411434478.db2.gz YOOVXXWBTJDBBL-ZIAGYGMSSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000340446900 411472883 /nfs/dbraw/zinc/47/28/83/411472883.db2.gz QOCPBOSDTSSISD-JTQLQIEISA-N 2 1 235.331 1.532 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CO1 ZINC000657359453 411476994 /nfs/dbraw/zinc/47/69/94/411476994.db2.gz UUELGMMXDFEWIF-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1cnc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000660013784 411528542 /nfs/dbraw/zinc/52/85/42/411528542.db2.gz YSSQJEPCTDAJIB-TZMCWYRMSA-N 2 1 248.374 1.336 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](CC)C2)C1 ZINC000657327166 411465980 /nfs/dbraw/zinc/46/59/80/411465980.db2.gz ZCOLYUNJPWJDSC-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000300921368 170007432 /nfs/dbraw/zinc/00/74/32/170007432.db2.gz DWMRCSBSGGDQPJ-RYUDHWBXSA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)OC)C[C@@H]1C ZINC000362183644 170009938 /nfs/dbraw/zinc/00/99/38/170009938.db2.gz PWANSSTZAJVPHL-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)OC)C[C@@H]1C ZINC000362183644 170009940 /nfs/dbraw/zinc/00/99/40/170009940.db2.gz PWANSSTZAJVPHL-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCC2)[C@@H](C)C1 ZINC000336780569 170011869 /nfs/dbraw/zinc/01/18/69/170011869.db2.gz RRDFKSKEYDERBU-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250332548 170015017 /nfs/dbraw/zinc/01/50/17/170015017.db2.gz ORCAHGSLGJRTPG-CHWSQXEVSA-N 2 1 224.348 1.611 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000309469003 170016908 /nfs/dbraw/zinc/01/69/08/170016908.db2.gz UARYFVHIBRTFGB-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)OC)C[C@@H]1C ZINC000336673352 170019760 /nfs/dbraw/zinc/01/97/60/170019760.db2.gz KQHVNGLAHBKBSI-AVGNSLFASA-N 2 1 228.380 1.826 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)OC)C[C@@H]1C ZINC000336673352 170019761 /nfs/dbraw/zinc/01/97/61/170019761.db2.gz KQHVNGLAHBKBSI-AVGNSLFASA-N 2 1 228.380 1.826 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)OC)C[C@@H]1C ZINC000336673352 170019762 /nfs/dbraw/zinc/01/97/62/170019762.db2.gz KQHVNGLAHBKBSI-AVGNSLFASA-N 2 1 228.380 1.826 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCO2)[C@H](C)C1 ZINC000358024637 170021061 /nfs/dbraw/zinc/02/10/61/170021061.db2.gz RWGIJINRHXGBFQ-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(C)C)[C@@H](C)C1 ZINC000305099268 170021220 /nfs/dbraw/zinc/02/12/20/170021220.db2.gz AJKVUIMFBRTDHP-IHRRRGAJSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2)[C@H](C)C1 ZINC000173363209 170021264 /nfs/dbraw/zinc/02/12/64/170021264.db2.gz YUYZMELRSSWHIM-OCCSQVGLSA-N 2 1 233.359 1.902 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)[C@H](C)C1 ZINC000173363209 170021265 /nfs/dbraw/zinc/02/12/65/170021265.db2.gz YUYZMELRSSWHIM-OCCSQVGLSA-N 2 1 233.359 1.902 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC000353568074 170038217 /nfs/dbraw/zinc/03/82/17/170038217.db2.gz OTNJAMHLSINZLD-MELADBBJSA-N 2 1 241.423 1.645 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000353568074 170038218 /nfs/dbraw/zinc/03/82/18/170038218.db2.gz OTNJAMHLSINZLD-MELADBBJSA-N 2 1 241.423 1.645 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000353568074 170038219 /nfs/dbraw/zinc/03/82/19/170038219.db2.gz OTNJAMHLSINZLD-MELADBBJSA-N 2 1 241.423 1.645 20 0 BDADMP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000657559903 411551566 /nfs/dbraw/zinc/55/15/66/411551566.db2.gz BDYXCAMJEJCHGM-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccn1 ZINC000657532172 411545230 /nfs/dbraw/zinc/54/52/30/411545230.db2.gz FTWSGUQSXWFOLO-LBPRGKRZSA-N 2 1 233.359 1.869 20 0 BDADMP C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C1(CO)CC1 ZINC000657607717 411561470 /nfs/dbraw/zinc/56/14/70/411561470.db2.gz MQRRLCAXHPDFLS-NSHDSACASA-N 2 1 249.358 1.398 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOCCF ZINC000663341331 411630952 /nfs/dbraw/zinc/63/09/52/411630952.db2.gz MVQCARAAZITOKG-UHFFFAOYSA-N 2 1 241.310 1.223 20 0 BDADMP c1c[nH+]c(N2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)[nH]1 ZINC000660421008 411582951 /nfs/dbraw/zinc/58/29/51/411582951.db2.gz WEFCQMLHKHOKGS-CLLJXQQHSA-N 2 1 246.358 1.578 20 0 BDADMP C[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657823129 411607258 /nfs/dbraw/zinc/60/72/58/411607258.db2.gz IZSRZIUHQBCNDP-UHFFFAOYSA-N 2 1 232.318 1.758 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCCO1)C2 ZINC000660655064 411613287 /nfs/dbraw/zinc/61/32/87/411613287.db2.gz KGZUIUHWVHEEST-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCCO1)C2 ZINC000660655064 411613289 /nfs/dbraw/zinc/61/32/89/411613289.db2.gz KGZUIUHWVHEEST-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCCO1)C2 ZINC000660655064 411613290 /nfs/dbraw/zinc/61/32/90/411613290.db2.gz KGZUIUHWVHEEST-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660809 411614188 /nfs/dbraw/zinc/61/41/88/411614188.db2.gz AWGCXOMRKVMIFN-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660809 411614190 /nfs/dbraw/zinc/61/41/90/411614190.db2.gz AWGCXOMRKVMIFN-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660809 411614192 /nfs/dbraw/zinc/61/41/92/411614192.db2.gz AWGCXOMRKVMIFN-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665948 411616001 /nfs/dbraw/zinc/61/60/01/411616001.db2.gz ZZLZRAKPOPAFMK-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H](CO)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665948 411616002 /nfs/dbraw/zinc/61/60/02/411616002.db2.gz ZZLZRAKPOPAFMK-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H](CO)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665948 411616003 /nfs/dbraw/zinc/61/60/03/411616003.db2.gz ZZLZRAKPOPAFMK-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CCCC2)CCO1 ZINC000133337364 411712690 /nfs/dbraw/zinc/71/26/90/411712690.db2.gz TVAWOTIAYBNBKA-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CCCC2)CCO1 ZINC000133337364 411712694 /nfs/dbraw/zinc/71/26/94/411712694.db2.gz TVAWOTIAYBNBKA-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC[NH2+]1 ZINC000663501134 411682821 /nfs/dbraw/zinc/68/28/21/411682821.db2.gz SQMQZWRNCAGEEJ-FDYHWXHSSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000663500950 411683606 /nfs/dbraw/zinc/68/36/06/411683606.db2.gz QOAILJHHQHOHCB-MQYQWHSLSA-N 2 1 238.375 1.343 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501840 411686422 /nfs/dbraw/zinc/68/64/22/411686422.db2.gz YRHXQRNCPACYSV-CPCZMJQVSA-N 2 1 226.364 1.389 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC1CCOCC1 ZINC000663512097 411694658 /nfs/dbraw/zinc/69/46/58/411694658.db2.gz FHYDBRYJKDZTPR-WDEREUQCSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000663512976 411695460 /nfs/dbraw/zinc/69/54/60/411695460.db2.gz IAVNMOZYYMDCSC-XBFCOCLRSA-N 2 1 218.344 1.988 20 0 BDADMP C[C@@H]1COC2(CCC2)C[N@H+]1CCCn1ccnc1 ZINC000661470358 411782190 /nfs/dbraw/zinc/78/21/90/411782190.db2.gz SCIBDNWMRYTRKY-CYBMUJFWSA-N 2 1 249.358 1.917 20 0 BDADMP C[C@H]1COC2(CCC2)CN1CCn1ccnc1 ZINC000661466213 411783209 /nfs/dbraw/zinc/78/32/09/411783209.db2.gz IIOXQYCBPJZWLP-LBPRGKRZSA-N 2 1 235.331 1.527 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000132161584 411808079 /nfs/dbraw/zinc/80/80/79/411808079.db2.gz RLWNKAQYLLBYLB-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H](C)[C@H]1O ZINC000661620991 411820066 /nfs/dbraw/zinc/82/00/66/411820066.db2.gz CADKCMKRECINNT-RFQIPJPRSA-N 2 1 240.391 1.419 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700508 411845974 /nfs/dbraw/zinc/84/59/74/411845974.db2.gz MRPVPSHZZABHFL-ZIAGYGMSSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700508 411845975 /nfs/dbraw/zinc/84/59/75/411845975.db2.gz MRPVPSHZZABHFL-ZIAGYGMSSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC2(COC2)C1 ZINC000662073768 411973060 /nfs/dbraw/zinc/97/30/60/411973060.db2.gz LXCMSURBYLHYKS-UHFFFAOYSA-N 2 1 235.331 1.304 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC2(COC2)C1 ZINC000662073768 411973065 /nfs/dbraw/zinc/97/30/65/411973065.db2.gz LXCMSURBYLHYKS-UHFFFAOYSA-N 2 1 235.331 1.304 20 0 BDADMP Cc1[nH+]ccn1CCN1CCc2nccnc2C1 ZINC000662119097 411990351 /nfs/dbraw/zinc/99/03/51/411990351.db2.gz KMOHAULUOWGDQL-UHFFFAOYSA-N 2 1 243.314 1.040 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139320 412001587 /nfs/dbraw/zinc/00/15/87/412001587.db2.gz ATYGBXMJHXKGHU-KGLIPLIRSA-N 2 1 242.407 1.669 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)CC[C@H]1[NH3+] ZINC000662270435 412059379 /nfs/dbraw/zinc/05/93/79/412059379.db2.gz KTWIITSETNQHAL-BNOWGMLFSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](OC)C1CCC1 ZINC000662244596 412040841 /nfs/dbraw/zinc/04/08/41/412040841.db2.gz IUJPHDJZDMXBCW-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](OC)C1CCC1 ZINC000662244596 412040842 /nfs/dbraw/zinc/04/08/42/412040842.db2.gz IUJPHDJZDMXBCW-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000662245248 412040853 /nfs/dbraw/zinc/04/08/53/412040853.db2.gz JMCNDVPBJUQHTA-UWVGGRQHSA-N 2 1 220.307 1.948 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662244745 412041886 /nfs/dbraw/zinc/04/18/86/412041886.db2.gz GUIQXOYGYBZUSM-GFCCVEGCSA-N 3 1 245.370 1.113 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662244967 412042075 /nfs/dbraw/zinc/04/20/75/412042075.db2.gz KHMLACWFYIJWMJ-NEPJUHHUSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662244967 412042076 /nfs/dbraw/zinc/04/20/76/412042076.db2.gz KHMLACWFYIJWMJ-NEPJUHHUSA-N 2 1 234.347 1.344 20 0 BDADMP CCc1nocc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662245732 412042829 /nfs/dbraw/zinc/04/28/29/412042829.db2.gz OFOUUPGNIUGCDG-MNOVXSKESA-N 2 1 237.347 1.796 20 0 BDADMP CCc1nocc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662245732 412042833 /nfs/dbraw/zinc/04/28/33/412042833.db2.gz OFOUUPGNIUGCDG-MNOVXSKESA-N 2 1 237.347 1.796 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662247485 412044363 /nfs/dbraw/zinc/04/43/63/412044363.db2.gz ZZOLLEZTBAKFSZ-DGCLKSJQSA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662247485 412044365 /nfs/dbraw/zinc/04/43/65/412044365.db2.gz ZZOLLEZTBAKFSZ-DGCLKSJQSA-N 2 1 248.374 1.653 20 0 BDADMP CCC[N@@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250125 412046049 /nfs/dbraw/zinc/04/60/49/412046049.db2.gz YOXXQTNAVMMBLR-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249658 412046093 /nfs/dbraw/zinc/04/60/93/412046093.db2.gz RQUZQZVPCSJBKC-CHWSQXEVSA-N 2 1 238.375 1.772 20 0 BDADMP CCCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248874 412047457 /nfs/dbraw/zinc/04/74/57/412047457.db2.gz DLQLOGRVHRZHFO-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@H]([N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662253133 412050257 /nfs/dbraw/zinc/05/02/57/412050257.db2.gz WLSDUSCUYILEOF-NWDGAFQWSA-N 2 1 240.391 1.874 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257600 412051464 /nfs/dbraw/zinc/05/14/64/412051464.db2.gz OPDOZLMINWOQPE-LLVKDONJSA-N 2 1 224.348 1.382 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000336719044 171083113 /nfs/dbraw/zinc/08/31/13/171083113.db2.gz RWGOOEUFLKGKFV-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC000336719044 171083116 /nfs/dbraw/zinc/08/31/16/171083116.db2.gz RWGOOEUFLKGKFV-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC000336719044 171083118 /nfs/dbraw/zinc/08/31/18/171083118.db2.gz RWGOOEUFLKGKFV-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000036326757 171106904 /nfs/dbraw/zinc/10/69/04/171106904.db2.gz UFSOZDICZMQRGN-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000042451981 171109940 /nfs/dbraw/zinc/10/99/40/171109940.db2.gz JHQOVMSFVBTHLZ-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cc(C)ncn2)CC[C@H]1[NH3+] ZINC000662273640 412065960 /nfs/dbraw/zinc/06/59/60/412065960.db2.gz XFXZJKNBCQCRQR-WCQYABFASA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cc(C)ncn2)CC[C@H]1[NH3+] ZINC000662273640 412065966 /nfs/dbraw/zinc/06/59/66/412065966.db2.gz XFXZJKNBCQCRQR-WCQYABFASA-N 2 1 234.347 1.344 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1CCC1 ZINC000662277790 412068839 /nfs/dbraw/zinc/06/88/39/412068839.db2.gz RYFZZJPHNOOACB-RYUDHWBXSA-N 2 1 228.380 1.765 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCCC1(C)C ZINC000662278643 412071454 /nfs/dbraw/zinc/07/14/54/412071454.db2.gz ZTWNGSRGRHBUMG-RYUDHWBXSA-N 2 1 228.380 1.454 20 0 BDADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000356761475 171232258 /nfs/dbraw/zinc/23/22/58/171232258.db2.gz FGFLIWMFDSXNIE-NWDGAFQWSA-N 2 1 243.395 1.172 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)nc(C)n1 ZINC000662282261 412073616 /nfs/dbraw/zinc/07/36/16/412073616.db2.gz ODZLXBKMFRYVMF-GWCFXTLKSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)nc(C)n1 ZINC000662282261 412073620 /nfs/dbraw/zinc/07/36/20/412073620.db2.gz ODZLXBKMFRYVMF-GWCFXTLKSA-N 2 1 248.374 1.510 20 0 BDADMP C[NH2+]CCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293420 412081603 /nfs/dbraw/zinc/08/16/03/412081603.db2.gz RZTRRJWAJABDDY-AWEZNQCLSA-N 2 1 239.407 1.308 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309093962 171366003 /nfs/dbraw/zinc/36/60/03/171366003.db2.gz DGBDLPFTZQPFBO-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309093962 171366004 /nfs/dbraw/zinc/36/60/04/171366004.db2.gz DGBDLPFTZQPFBO-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309093965 171389899 /nfs/dbraw/zinc/38/98/99/171389899.db2.gz DGBDLPFTZQPFBO-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309093965 171389900 /nfs/dbraw/zinc/38/99/00/171389900.db2.gz DGBDLPFTZQPFBO-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP OCC[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662299773 412087247 /nfs/dbraw/zinc/08/72/47/412087247.db2.gz XAUMSMUGWZQIFP-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662305894 412090241 /nfs/dbraw/zinc/09/02/41/412090241.db2.gz NRHSZDORVYSCAM-VNAIHZQWSA-N 2 1 206.333 1.456 20 0 BDADMP Cc1ccccc1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662308486 412092597 /nfs/dbraw/zinc/09/25/97/412092597.db2.gz TWYGRNUKWJPPMO-UHFFFAOYSA-N 2 1 216.328 1.918 20 0 BDADMP Cc1ccccc1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662308486 412092600 /nfs/dbraw/zinc/09/26/00/412092600.db2.gz TWYGRNUKWJPPMO-UHFFFAOYSA-N 2 1 216.328 1.918 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662311035 412094486 /nfs/dbraw/zinc/09/44/86/412094486.db2.gz PUNVSDUCEZDBPC-MJBXVCDLSA-N 2 1 238.375 1.344 20 0 BDADMP C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662315463 412095636 /nfs/dbraw/zinc/09/56/36/412095636.db2.gz FWXCUEQFXBBZPY-IHRRRGAJSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@H](N)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315526 412095881 /nfs/dbraw/zinc/09/58/81/412095881.db2.gz HLOXFZFEIFPWHL-GRYCIOLGSA-N 2 1 213.369 1.173 20 0 BDADMP C[C@H]([NH3+])CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315526 412095883 /nfs/dbraw/zinc/09/58/83/412095883.db2.gz HLOXFZFEIFPWHL-GRYCIOLGSA-N 2 1 213.369 1.173 20 0 BDADMP CO[C@@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CCC1 ZINC000662314305 412096186 /nfs/dbraw/zinc/09/61/86/412096186.db2.gz DNKZXBJSXMHZAY-XBFCOCLRSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CCC1 ZINC000662314305 412096188 /nfs/dbraw/zinc/09/61/88/412096188.db2.gz DNKZXBJSXMHZAY-XBFCOCLRSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662314676 412096699 /nfs/dbraw/zinc/09/66/99/412096699.db2.gz ANRJKHVPSYYABX-CYBMUJFWSA-N 2 1 226.364 1.474 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CC1(C)C ZINC000662331677 412104671 /nfs/dbraw/zinc/10/46/71/412104671.db2.gz PVMPPOLGLKAPES-NEPJUHHUSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CC1(N)CCCC1 ZINC000665246388 412190799 /nfs/dbraw/zinc/19/07/99/412190799.db2.gz DCKGOSXAIQYVQJ-LLVKDONJSA-N 2 1 213.369 1.365 20 0 BDADMP C[C@@H]1C[C@H](NCC2([NH3+])CCCC2)CC[N@H+]1C ZINC000665249077 412194449 /nfs/dbraw/zinc/19/44/49/412194449.db2.gz JEHOFVHNWXNJMI-VXGBXAGGSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cnn(C)c1 ZINC000665249512 412194604 /nfs/dbraw/zinc/19/46/04/412194604.db2.gz RWIRAUVUVMDELW-JTQLQIEISA-N 2 1 222.336 1.342 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)[C@H]1CCC[NH2+]1 ZINC000665265240 412209537 /nfs/dbraw/zinc/20/95/37/412209537.db2.gz SSCQLRWBAUCSFH-MROQNXINSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000665267527 412210007 /nfs/dbraw/zinc/21/00/07/412210007.db2.gz YHCSJAFZUZNDNX-AEJSXWLSSA-N 2 1 218.291 1.762 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCOCC1 ZINC000360236160 171515568 /nfs/dbraw/zinc/51/55/68/171515568.db2.gz AWSDQNZRPJJQKB-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@]1(C)CC1(F)F ZINC000665267244 412211161 /nfs/dbraw/zinc/21/11/61/412211161.db2.gz SNIHKVUHVCWSGP-MXWKQRLJSA-N 2 1 248.317 1.388 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000665272522 412213679 /nfs/dbraw/zinc/21/36/79/412213679.db2.gz GWTNOZQQUFLXRP-IHRRRGAJSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[N@H+]1C ZINC000665233863 412172421 /nfs/dbraw/zinc/17/24/21/412172421.db2.gz RKGYZYAHWBGLLO-BXUZGUMPSA-N 2 1 233.359 1.841 20 0 BDADMP C[N@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@H]2CCC[C@H]21 ZINC000665279624 412223109 /nfs/dbraw/zinc/22/31/09/412223109.db2.gz HNFNXGLDEPXQDN-PEGGXJLSSA-N 2 1 249.402 1.201 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1(C)C ZINC000665296028 412229212 /nfs/dbraw/zinc/22/92/12/412229212.db2.gz MAYCQMZBDIROTR-HBNTYKKESA-N 2 1 214.353 1.388 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccco1 ZINC000665283337 412229871 /nfs/dbraw/zinc/22/98/71/412229871.db2.gz MCBFCKNWAFAYSZ-WCQYABFASA-N 2 1 222.332 1.800 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000665294394 412237804 /nfs/dbraw/zinc/23/78/04/412237804.db2.gz NVLMYOGHHGWYKP-ZJUUUORDSA-N 2 1 212.362 1.877 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH2+]C)C12CCC2 ZINC000665295850 412243159 /nfs/dbraw/zinc/24/31/59/412243159.db2.gz KQQIMQVAGVOWEJ-GRYCIOLGSA-N 2 1 226.364 1.532 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000665298047 412244382 /nfs/dbraw/zinc/24/43/82/412244382.db2.gz QWSIEUZRPVLNOF-GHMZBOCLSA-N 2 1 237.347 1.219 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H](C)C[NH2+]C)C[C@H]1OC ZINC000665296899 412244682 /nfs/dbraw/zinc/24/46/82/412244682.db2.gz ZKYBZUWEDYJRBC-IJLUTSLNSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@H]([NH2+]CCOCCF)c1c[nH+]ccc1N ZINC000665299244 412248372 /nfs/dbraw/zinc/24/83/72/412248372.db2.gz JFYMZAFQYDOGLP-VIFPVBQESA-N 2 1 227.283 1.131 20 0 BDADMP CCc1nn(C)cc1CN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000356291909 172041813 /nfs/dbraw/zinc/04/18/13/172041813.db2.gz WLVQLCWGDDDHID-GXFFZTMASA-N 2 1 236.363 1.022 20 0 BDADMP CCc1nn(C)cc1CN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000356291909 172041817 /nfs/dbraw/zinc/04/18/17/172041817.db2.gz WLVQLCWGDDDHID-GXFFZTMASA-N 2 1 236.363 1.022 20 0 BDADMP CCc1noc(C)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365859990 172077222 /nfs/dbraw/zinc/07/72/22/172077222.db2.gz OXODHPZVFJIOCY-TXEJJXNPSA-N 2 1 249.358 1.539 20 0 BDADMP C[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000129392281 172993805 /nfs/dbraw/zinc/99/38/05/172993805.db2.gz ZVYWORQTDGHQLQ-UHFFFAOYSA-N 2 1 228.405 1.813 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337537208 172997344 /nfs/dbraw/zinc/99/73/44/172997344.db2.gz HBFXDHRMAASFGH-QWRGUYRKSA-N 2 1 248.317 1.831 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000368463265 173029379 /nfs/dbraw/zinc/02/93/79/173029379.db2.gz UAYBWNTVYIGULL-HZSPNIEDSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3(O)CCC3)C2)C1 ZINC000336468714 173038916 /nfs/dbraw/zinc/03/89/16/173038916.db2.gz MPMCRPKPTKGIHN-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3(O)CCC3)C2)C1 ZINC000336468714 173038917 /nfs/dbraw/zinc/03/89/17/173038917.db2.gz MPMCRPKPTKGIHN-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3(O)CCC3)C2)C1 ZINC000336468714 173038919 /nfs/dbraw/zinc/03/89/19/173038919.db2.gz MPMCRPKPTKGIHN-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000336701009 173042141 /nfs/dbraw/zinc/04/21/41/173042141.db2.gz LUDDRDUIVWCKKK-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@H]1CCOC1)C[C@H]1CCC[N@H+](C)C1 ZINC000336701009 173042144 /nfs/dbraw/zinc/04/21/44/173042144.db2.gz LUDDRDUIVWCKKK-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@H]1CCOC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336701009 173042147 /nfs/dbraw/zinc/04/21/47/173042147.db2.gz LUDDRDUIVWCKKK-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]12CCOC2 ZINC000341977895 173049518 /nfs/dbraw/zinc/04/95/18/173049518.db2.gz WRFVLKWOLIHLJA-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]12CCOC2 ZINC000341977895 173049522 /nfs/dbraw/zinc/04/95/22/173049522.db2.gz WRFVLKWOLIHLJA-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]12CCOC2 ZINC000341977895 173049523 /nfs/dbraw/zinc/04/95/23/173049523.db2.gz WRFVLKWOLIHLJA-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3(O)CCC3)C2)C1 ZINC000336468715 173061154 /nfs/dbraw/zinc/06/11/54/173061154.db2.gz MPMCRPKPTKGIHN-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3(O)CCC3)C2)C1 ZINC000336468715 173061156 /nfs/dbraw/zinc/06/11/56/173061156.db2.gz MPMCRPKPTKGIHN-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3(O)CCC3)C2)C1 ZINC000336468715 173061158 /nfs/dbraw/zinc/06/11/58/173061158.db2.gz MPMCRPKPTKGIHN-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353515952 173151764 /nfs/dbraw/zinc/15/17/64/173151764.db2.gz IVDPYTGESSGNFD-SOUVJXGZSA-N 2 1 247.386 1.988 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@@H]2CCC[C@@H]21 ZINC000353640280 173152335 /nfs/dbraw/zinc/15/23/35/173152335.db2.gz BYDQQCAFTLHADS-IHRRRGAJSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2CC2)[C@@H]2CCC[C@@H]21 ZINC000367639969 173153507 /nfs/dbraw/zinc/15/35/07/173153507.db2.gz YFPQLUIAEHNQTI-AVGNSLFASA-N 2 1 208.349 1.859 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000377796825 173155216 /nfs/dbraw/zinc/15/52/16/173155216.db2.gz VHXVJUVSOPUCBN-RDBSUJKOSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CCCCCC2)C1 ZINC000358162306 173165967 /nfs/dbraw/zinc/16/59/67/173165967.db2.gz GZFFUQBQKVJESE-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CCCCCC2)C1 ZINC000358162306 173165969 /nfs/dbraw/zinc/16/59/69/173165969.db2.gz GZFFUQBQKVJESE-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCCCCF)C[C@@H]2C1 ZINC000375335247 173197084 /nfs/dbraw/zinc/19/70/84/173197084.db2.gz DVZPQQNOAQLKKJ-TXEJJXNPSA-N 2 1 214.328 1.620 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC000375335247 173197085 /nfs/dbraw/zinc/19/70/85/173197085.db2.gz DVZPQQNOAQLKKJ-TXEJJXNPSA-N 2 1 214.328 1.620 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC000375335247 173197089 /nfs/dbraw/zinc/19/70/89/173197089.db2.gz DVZPQQNOAQLKKJ-TXEJJXNPSA-N 2 1 214.328 1.620 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCOc1ccccc1 ZINC000124959711 173346448 /nfs/dbraw/zinc/34/64/48/173346448.db2.gz MWAXVSZQSYIUTF-UHFFFAOYSA-N 2 1 236.359 1.997 20 0 BDADMP C[NH2+]CCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000336655717 173347515 /nfs/dbraw/zinc/34/75/15/173347515.db2.gz ABWDZWDVNWRUNF-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2scnc2C)C1 ZINC000070800129 173370751 /nfs/dbraw/zinc/37/07/51/173370751.db2.gz FZBJZYLPJULFIO-NSHDSACASA-N 2 1 239.388 1.535 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000053031497 173381773 /nfs/dbraw/zinc/38/17/73/173381773.db2.gz HOHHZRUNQQYCAA-CYBMUJFWSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000053031497 173381775 /nfs/dbraw/zinc/38/17/75/173381775.db2.gz HOHHZRUNQQYCAA-CYBMUJFWSA-N 2 1 234.343 1.737 20 0 BDADMP Cc1ncc(CN2CC[N@H+]3CCCC[C@H]3C2)n1C ZINC000667562602 487627125 /nfs/dbraw/zinc/62/71/25/487627125.db2.gz HAHSIUYDAFZCLQ-ZDUSSCGKSA-N 2 1 248.374 1.399 20 0 BDADMP Cc1[nH+]cc(CN2CC[N@@H+]3CCCC[C@H]3C2)n1C ZINC000667562602 487627129 /nfs/dbraw/zinc/62/71/29/487627129.db2.gz HAHSIUYDAFZCLQ-ZDUSSCGKSA-N 2 1 248.374 1.399 20 0 BDADMP COC1CCC([N@@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000226438408 174021831 /nfs/dbraw/zinc/02/18/31/174021831.db2.gz IHHUTFQFFXOWLU-IYXRBSQSSA-N 2 1 240.391 1.875 20 0 BDADMP COCC(C)(C)C[NH2+]CCn1cc[nH+]c1C ZINC000336654958 174072553 /nfs/dbraw/zinc/07/25/53/174072553.db2.gz KOWCYDQUAAPOBQ-UHFFFAOYSA-N 2 1 225.336 1.454 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000356363526 174111622 /nfs/dbraw/zinc/11/16/22/174111622.db2.gz QXVNFGQFXADHDQ-STQMWFEESA-N 2 1 238.375 1.772 20 0 BDADMP COCCCCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000309515940 174184437 /nfs/dbraw/zinc/18/44/37/174184437.db2.gz YQXKSHVZXOHSPV-LBPRGKRZSA-N 2 1 216.369 1.766 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308803253 174194380 /nfs/dbraw/zinc/19/43/80/174194380.db2.gz ACJQSOBMDHXOIT-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP COCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000044659202 174195192 /nfs/dbraw/zinc/19/51/92/174195192.db2.gz VICKWRAWTYSDCB-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP COCCCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000336692412 174203999 /nfs/dbraw/zinc/20/39/99/174203999.db2.gz QGYAPOUPQMOBCQ-NSHDSACASA-N 2 1 202.342 1.376 20 0 BDADMP COCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000375906416 174228396 /nfs/dbraw/zinc/22/83/96/174228396.db2.gz PCJWMQFFCRSUOV-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP COCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000375906416 174228398 /nfs/dbraw/zinc/22/83/98/174228398.db2.gz PCJWMQFFCRSUOV-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)OC ZINC000340469770 174274597 /nfs/dbraw/zinc/27/45/97/174274597.db2.gz LJLFIIDRJQQZDQ-LBPRGKRZSA-N 2 1 246.395 1.358 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@H]1C ZINC000309036356 174276131 /nfs/dbraw/zinc/27/61/31/174276131.db2.gz IJUQWDSEHOUDRV-VXGBXAGGSA-N 2 1 214.353 1.200 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1O ZINC000050245260 175102603 /nfs/dbraw/zinc/10/26/03/175102603.db2.gz RXIJCIBWNMFHGB-NSHDSACASA-N 2 1 236.315 1.181 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1O ZINC000050245260 175102605 /nfs/dbraw/zinc/10/26/05/175102605.db2.gz RXIJCIBWNMFHGB-NSHDSACASA-N 2 1 236.315 1.181 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107933283 175102926 /nfs/dbraw/zinc/10/29/26/175102926.db2.gz WYPLPSQCHCNULW-YPMHNXCESA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000125740200 175106980 /nfs/dbraw/zinc/10/69/80/175106980.db2.gz UTASYVGUHXEVLH-UHFFFAOYSA-N 2 1 223.320 1.132 20 0 BDADMP COc1ccc2c(c1)C[N@@H+](CCC[NH3+])CC2 ZINC000082790910 175210190 /nfs/dbraw/zinc/21/01/90/175210190.db2.gz YQAAHGDXEMMPPO-UHFFFAOYSA-N 2 1 220.316 1.402 20 0 BDADMP COc1ccc2c(c1)C[N@H+](CCC[NH3+])CC2 ZINC000082790910 175210192 /nfs/dbraw/zinc/21/01/92/175210192.db2.gz YQAAHGDXEMMPPO-UHFFFAOYSA-N 2 1 220.316 1.402 20 0 BDADMP COc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000276670272 175263321 /nfs/dbraw/zinc/26/33/21/175263321.db2.gz YESJOQAECAKXDK-UHFFFAOYSA-N 2 1 247.342 1.442 20 0 BDADMP COc1cccc2c1CC[N@H+](CCC[NH3+])C2 ZINC000082790917 175300929 /nfs/dbraw/zinc/30/09/29/175300929.db2.gz LRKJAOCZCUGGEG-UHFFFAOYSA-N 2 1 220.316 1.402 20 0 BDADMP COc1cccc2c1CC[N@@H+](CCC[NH3+])C2 ZINC000082790917 175300931 /nfs/dbraw/zinc/30/09/31/175300931.db2.gz LRKJAOCZCUGGEG-UHFFFAOYSA-N 2 1 220.316 1.402 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000234907698 175334186 /nfs/dbraw/zinc/33/41/86/175334186.db2.gz IESQWDMCECTZQC-GXTWGEPZSA-N 2 1 248.370 1.968 20 0 BDADMP C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310122257 176064156 /nfs/dbraw/zinc/06/41/56/176064156.db2.gz VJUKJHPTKKWVCT-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310122257 176064158 /nfs/dbraw/zinc/06/41/58/176064158.db2.gz VJUKJHPTKKWVCT-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310122257 176064160 /nfs/dbraw/zinc/06/41/60/176064160.db2.gz VJUKJHPTKKWVCT-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310122257 176064162 /nfs/dbraw/zinc/06/41/62/176064162.db2.gz VJUKJHPTKKWVCT-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H]1CO ZINC000305705900 176098352 /nfs/dbraw/zinc/09/83/52/176098352.db2.gz YEKXBHLNCLOALY-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H]1CO ZINC000305705900 176098353 /nfs/dbraw/zinc/09/83/53/176098353.db2.gz YEKXBHLNCLOALY-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H]1CO ZINC000305705900 176098354 /nfs/dbraw/zinc/09/83/54/176098354.db2.gz YEKXBHLNCLOALY-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+](C)CCC[NH+]2CCCC2)O1 ZINC000337217560 176201860 /nfs/dbraw/zinc/20/18/60/176201860.db2.gz INRBZFHGWUCPQU-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)O1 ZINC000337217560 176201862 /nfs/dbraw/zinc/20/18/62/176201862.db2.gz INRBZFHGWUCPQU-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000336766803 176268324 /nfs/dbraw/zinc/26/83/24/176268324.db2.gz SKVLUSJYJXZTEM-RHYQMDGZSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000336766803 176268326 /nfs/dbraw/zinc/26/83/26/176268326.db2.gz SKVLUSJYJXZTEM-RHYQMDGZSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCCOC1 ZINC000336688420 176269136 /nfs/dbraw/zinc/26/91/36/176269136.db2.gz HFKHBHSQBXIUCL-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCCOC1 ZINC000336688420 176269137 /nfs/dbraw/zinc/26/91/37/176269137.db2.gz HFKHBHSQBXIUCL-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000336688420 176269138 /nfs/dbraw/zinc/26/91/38/176269138.db2.gz HFKHBHSQBXIUCL-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000336688420 176269139 /nfs/dbraw/zinc/26/91/39/176269139.db2.gz HFKHBHSQBXIUCL-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC1(C)C ZINC000336773083 176269791 /nfs/dbraw/zinc/26/97/91/176269791.db2.gz YQJYYXSRQUDIQT-UTUOFQBUSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000336764571 176270745 /nfs/dbraw/zinc/27/07/45/176270745.db2.gz QGURPXQHXTYCLJ-GMTAPVOTSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000336764571 176270747 /nfs/dbraw/zinc/27/07/47/176270747.db2.gz QGURPXQHXTYCLJ-GMTAPVOTSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309775168 176271055 /nfs/dbraw/zinc/27/10/55/176271055.db2.gz LNBQMGYWEPZYHX-MWLCHTKSSA-N 2 1 232.318 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000358412117 176274393 /nfs/dbraw/zinc/27/43/93/176274393.db2.gz XZKSRGJISUASFM-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358412117 176274394 /nfs/dbraw/zinc/27/43/94/176274394.db2.gz XZKSRGJISUASFM-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358412117 176274395 /nfs/dbraw/zinc/27/43/95/176274395.db2.gz XZKSRGJISUASFM-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358412117 176274396 /nfs/dbraw/zinc/27/43/96/176274396.db2.gz XZKSRGJISUASFM-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358412117 176274397 /nfs/dbraw/zinc/27/43/97/176274397.db2.gz XZKSRGJISUASFM-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCn1cccn1 ZINC000042539470 176278406 /nfs/dbraw/zinc/27/84/06/176278406.db2.gz VCHCBWVGOFMDHZ-JHJVBQTASA-N 2 1 236.363 1.201 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045694725 176288654 /nfs/dbraw/zinc/28/86/54/176288654.db2.gz MTMDEOQROOTEKO-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000305856530 176344273 /nfs/dbraw/zinc/34/42/73/176344273.db2.gz MUNBLICMPSBPOV-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000304401724 176352316 /nfs/dbraw/zinc/35/23/16/176352316.db2.gz HHPJEXLSPGGREA-MFKMUULPSA-N 2 1 240.416 1.954 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000306367332 176352385 /nfs/dbraw/zinc/35/23/85/176352385.db2.gz BRTVYMIGMKUFFW-KOLCDFICSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCCCO2)CC[NH2+]1 ZINC000261542272 176367827 /nfs/dbraw/zinc/36/78/27/176367827.db2.gz OMLAMBOTMLBEOH-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)CC[N@H+]1C ZINC000222242763 176374618 /nfs/dbraw/zinc/37/46/18/176374618.db2.gz MBPKNPFCLNISKO-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccncc2)CC[N@H+]1C ZINC000156642488 176376441 /nfs/dbraw/zinc/37/64/41/176376441.db2.gz QQEQQSXKUOYMDS-OCCSQVGLSA-N 2 1 233.359 1.696 20 0 BDADMP CN(C)c1ncc(CN2C[C@@H]3CCCC[C@@H]32)n1C ZINC000668299205 487634798 /nfs/dbraw/zinc/63/47/98/487634798.db2.gz XPEPEGVVNITAJU-AAEUAGOBSA-N 2 1 248.374 1.861 20 0 BDADMP C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000366244741 177109580 /nfs/dbraw/zinc/10/95/80/177109580.db2.gz GJOVJWVMRZATFZ-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000366244741 177109581 /nfs/dbraw/zinc/10/95/81/177109581.db2.gz GJOVJWVMRZATFZ-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CCC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000042318340 177120000 /nfs/dbraw/zinc/12/00/00/177120000.db2.gz VPTBAQGAJQIDPT-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1CC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000040725253 177162256 /nfs/dbraw/zinc/16/22/56/177162256.db2.gz HHRGDZJIYWIKQK-GXTWGEPZSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000040725253 177162257 /nfs/dbraw/zinc/16/22/57/177162257.db2.gz HHRGDZJIYWIKQK-GXTWGEPZSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1 ZINC000039318915 177189944 /nfs/dbraw/zinc/18/99/44/177189944.db2.gz PQXFFBLKACKRKM-AAEUAGOBSA-N 2 1 204.317 1.998 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1 ZINC000039318915 177189945 /nfs/dbraw/zinc/18/99/45/177189945.db2.gz PQXFFBLKACKRKM-AAEUAGOBSA-N 2 1 204.317 1.998 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000359724972 177234693 /nfs/dbraw/zinc/23/46/93/177234693.db2.gz YAPSHFDAYZPXIJ-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000359724972 177234694 /nfs/dbraw/zinc/23/46/94/177234694.db2.gz YAPSHFDAYZPXIJ-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000359724972 177234695 /nfs/dbraw/zinc/23/46/95/177234695.db2.gz YAPSHFDAYZPXIJ-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000062912486 177259505 /nfs/dbraw/zinc/25/95/05/177259505.db2.gz FQHQKMIMLCIRPO-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CC[C@@H]1[NH3+] ZINC000336537841 177264785 /nfs/dbraw/zinc/26/47/85/177264785.db2.gz QBRLYTHPSHBMBV-GWCFXTLKSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@H]1COCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000375254303 177287882 /nfs/dbraw/zinc/28/78/82/177287882.db2.gz YJRXNSGYWKBHEP-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP C[C@H]1COCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000375254303 177287883 /nfs/dbraw/zinc/28/78/83/177287883.db2.gz YJRXNSGYWKBHEP-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH2+]1 ZINC000235369521 177302048 /nfs/dbraw/zinc/30/20/48/177302048.db2.gz VZHXFYDLZVSCJQ-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])CN1c1cc[nH+]cc1Cl ZINC000127003444 177324867 /nfs/dbraw/zinc/32/48/67/177324867.db2.gz MTGCRJVWUFFLBP-IUCAKERBSA-N 2 1 225.723 1.909 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000353653499 177332411 /nfs/dbraw/zinc/33/24/11/177332411.db2.gz CTMGSVVXPOTIMW-NTZNESFSSA-N 2 1 236.363 1.271 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1cccn1 ZINC000042539467 177370682 /nfs/dbraw/zinc/37/06/82/177370682.db2.gz VCHCBWVGOFMDHZ-AGIUHOORSA-N 2 1 236.363 1.201 20 0 BDADMP C[C@@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000313339232 487640570 /nfs/dbraw/zinc/64/05/70/487640570.db2.gz BWIOLBFBDXUMMN-NWDGAFQWSA-N 2 1 228.380 1.718 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000492911314 226080703 /nfs/dbraw/zinc/08/07/03/226080703.db2.gz IRRZQBMKMLJRHC-QWHCGFSZSA-N 2 1 237.347 1.332 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000492911312 226081893 /nfs/dbraw/zinc/08/18/93/226081893.db2.gz IRRZQBMKMLJRHC-CHWSQXEVSA-N 2 1 237.347 1.332 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000494911389 226271453 /nfs/dbraw/zinc/27/14/53/226271453.db2.gz UHCDXTVIGBFQFK-OUCADQQQSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@]1(C)C[NH3+] ZINC000400603987 226347828 /nfs/dbraw/zinc/34/78/28/226347828.db2.gz GFFZFSKTXCZKSY-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@H]1[NH2+]CCN(CCCc2c[nH+]cn2C)[C@@H]1C ZINC000313863013 487650537 /nfs/dbraw/zinc/65/05/37/487650537.db2.gz ARIRLPWVTQHFOR-VXGBXAGGSA-N 2 1 236.363 1.035 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1cncn1C ZINC000314401033 487665312 /nfs/dbraw/zinc/66/53/12/487665312.db2.gz TWNBSKUCMBUXCO-NEPJUHHUSA-N 2 1 236.363 1.022 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000314961870 487669167 /nfs/dbraw/zinc/66/91/67/487669167.db2.gz VMINSILHOCEJIC-OCCSQVGLSA-N 2 1 248.374 1.037 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228575655 487679800 /nfs/dbraw/zinc/67/98/00/487679800.db2.gz ZBHIFHPBGWIZFP-GARJFASQSA-N 2 1 200.326 1.094 20 0 BDADMP CC(C)[NH+]1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000036189990 487684103 /nfs/dbraw/zinc/68/41/03/487684103.db2.gz AANZJZNWPHMHRY-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313349742 487685274 /nfs/dbraw/zinc/68/52/74/487685274.db2.gz IWNHWTCSBALAAY-AAEUAGOBSA-N 2 1 235.331 1.192 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313349742 487685280 /nfs/dbraw/zinc/68/52/80/487685280.db2.gz IWNHWTCSBALAAY-AAEUAGOBSA-N 2 1 235.331 1.192 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000151184869 487689757 /nfs/dbraw/zinc/68/97/57/487689757.db2.gz SFIOXRLCQXVQNE-UPJWGTAASA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000151184869 487689762 /nfs/dbraw/zinc/68/97/62/487689762.db2.gz SFIOXRLCQXVQNE-UPJWGTAASA-N 2 1 228.380 1.466 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000228622396 487695700 /nfs/dbraw/zinc/69/57/00/487695700.db2.gz RALKXDSQCWHLHW-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000228622396 487695704 /nfs/dbraw/zinc/69/57/04/487695704.db2.gz RALKXDSQCWHLHW-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP CCc1nc(NCC2([NH+](C)C)CC2)cc(C)[nH+]1 ZINC000397937105 262940513 /nfs/dbraw/zinc/94/05/13/262940513.db2.gz OJYLZAPAYFHJJW-UHFFFAOYSA-N 2 1 234.347 1.275 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000398632759 487723404 /nfs/dbraw/zinc/72/34/04/487723404.db2.gz SGXUWDPANBEWFH-YPMHNXCESA-N 2 1 228.380 1.645 20 0 BDADMP [NH3+]CCCCCC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932445 584824912 /nfs/dbraw/zinc/82/49/12/584824912.db2.gz RMAMLJNCXOEOCT-VIFPVBQESA-N 3 1 223.311 1.078 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250534390 487734371 /nfs/dbraw/zinc/73/43/71/487734371.db2.gz SRBCDBYEKNDQBF-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250594767 487735305 /nfs/dbraw/zinc/73/53/05/487735305.db2.gz NFBARPZRUBDJLY-QWRGUYRKSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250594767 487735307 /nfs/dbraw/zinc/73/53/07/487735307.db2.gz NFBARPZRUBDJLY-QWRGUYRKSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250587842 487735423 /nfs/dbraw/zinc/73/54/23/487735423.db2.gz PBVWASQNAFCTCM-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](CO)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000675497771 487742595 /nfs/dbraw/zinc/74/25/95/487742595.db2.gz PYGPKADGAJTUEC-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H](CO)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000675497771 487742596 /nfs/dbraw/zinc/74/25/96/487742596.db2.gz PYGPKADGAJTUEC-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP FC(F)(F)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000250981884 487745209 /nfs/dbraw/zinc/74/52/09/487745209.db2.gz BKYOGNZJTCBOOZ-UWVGGRQHSA-N 2 1 236.281 1.870 20 0 BDADMP FC(F)(F)[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000250981884 487745213 /nfs/dbraw/zinc/74/52/13/487745213.db2.gz BKYOGNZJTCBOOZ-UWVGGRQHSA-N 2 1 236.281 1.870 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251269222 487752184 /nfs/dbraw/zinc/75/21/84/487752184.db2.gz XFOAUPHLXATCJG-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1[NH3+] ZINC000251577347 487771221 /nfs/dbraw/zinc/77/12/21/487771221.db2.gz CDUMVBXKIJGCDL-QWHCGFSZSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000681399591 487792195 /nfs/dbraw/zinc/79/21/95/487792195.db2.gz DADOUZLISONSBE-KBPBESRZSA-N 2 1 231.343 1.350 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CO)[C@H]2CCC[C@H]21 ZINC000671753814 487795389 /nfs/dbraw/zinc/79/53/89/487795389.db2.gz VEKTUSDZOFYMTJ-FRRDWIJNSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCOC3)CC[C@@H]21 ZINC000675983302 487797730 /nfs/dbraw/zinc/79/77/30/487797730.db2.gz PBERLFULPMERJY-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCOC3)CC[C@@H]21 ZINC000675983302 487797736 /nfs/dbraw/zinc/79/77/36/487797736.db2.gz PBERLFULPMERJY-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCOC3)CC[C@@H]21 ZINC000675983302 487797743 /nfs/dbraw/zinc/79/77/43/487797743.db2.gz PBERLFULPMERJY-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ncc[nH]1 ZINC000414189211 487797975 /nfs/dbraw/zinc/79/79/75/487797975.db2.gz QQNIGMCLKKBXQO-NWDGAFQWSA-N 2 1 236.363 1.792 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000251879940 487804986 /nfs/dbraw/zinc/80/49/86/487804986.db2.gz VDFJSUUYPJRFCB-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000414711132 487819521 /nfs/dbraw/zinc/81/95/21/487819521.db2.gz MAPFHOGOAIQGNC-CYBMUJFWSA-N 2 1 234.343 1.736 20 0 BDADMP CC(C)(C)[C@H]1CC[N@@H+](CCC[NH3+])C[C@@H]1O ZINC000414755682 487821308 /nfs/dbraw/zinc/82/13/08/487821308.db2.gz ICYJUMAPIBTHMK-QWRGUYRKSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC[NH3+] ZINC000414765701 487824005 /nfs/dbraw/zinc/82/40/05/487824005.db2.gz QEFKUFXDJWTPGN-SFYZADRCSA-N 2 1 210.243 1.608 20 0 BDADMP Cl/C=C/C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000846223741 588261618 /nfs/dbraw/zinc/26/16/18/588261618.db2.gz NELBQXRVSGJNFF-ORCRQEGFSA-N 2 1 200.713 1.567 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000925572300 634069383 /nfs/dbraw/zinc/06/93/83/634069383.db2.gz IBOAKFBFOXGNPV-BDAKNGLRSA-N 2 1 200.351 1.222 20 0 BDADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCC[NH3+] ZINC000666654513 487851834 /nfs/dbraw/zinc/85/18/34/487851834.db2.gz LVDCRDHVOGZZBC-BDAKNGLRSA-N 2 1 224.270 1.998 20 0 BDADMP c1ccc2c(c1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCO2 ZINC000089749479 487852475 /nfs/dbraw/zinc/85/24/75/487852475.db2.gz VRZGBQKIEKFLJZ-ZDUSSCGKSA-N 2 1 246.354 1.881 20 0 BDADMP C(C[N@H+]1CC[C@@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000089749466 487852524 /nfs/dbraw/zinc/85/25/24/487852524.db2.gz GDFVPWRMLFEQFA-UONOGXRCSA-N 2 1 237.391 1.156 20 0 BDADMP C(CN1CC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000089749466 487852527 /nfs/dbraw/zinc/85/25/27/487852527.db2.gz GDFVPWRMLFEQFA-UONOGXRCSA-N 2 1 237.391 1.156 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCCCO ZINC000226429161 640763659 /nfs/dbraw/zinc/76/36/59/640763659.db2.gz KKPCPDQLUWTGFH-GFCCVEGCSA-N 2 1 214.353 1.223 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCCCO ZINC000226429161 640763662 /nfs/dbraw/zinc/76/36/62/640763662.db2.gz KKPCPDQLUWTGFH-GFCCVEGCSA-N 2 1 214.353 1.223 20 0 BDADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769844 487875481 /nfs/dbraw/zinc/87/54/81/487875481.db2.gz FZNVVLUHNQAEPH-GXTWGEPZSA-N 2 1 240.391 1.923 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403811189 487890779 /nfs/dbraw/zinc/89/07/79/487890779.db2.gz MLAVRWDJRJAZFQ-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403811189 487890782 /nfs/dbraw/zinc/89/07/82/487890782.db2.gz MLAVRWDJRJAZFQ-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ccccc1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666943473 487909831 /nfs/dbraw/zinc/90/98/31/487909831.db2.gz LCBPFXACZLITEA-STQMWFEESA-N 2 1 222.307 1.785 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652335370 487923538 /nfs/dbraw/zinc/92/35/38/487923538.db2.gz CHCRBHOANSIDNQ-CYBMUJFWSA-N 3 1 245.370 1.113 20 0 BDADMP [NH3+]C[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652335370 487923543 /nfs/dbraw/zinc/92/35/43/487923543.db2.gz CHCRBHOANSIDNQ-CYBMUJFWSA-N 2 1 245.370 1.113 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CCN1CCCCC1 ZINC000652363556 487932979 /nfs/dbraw/zinc/93/29/79/487932979.db2.gz HRTWHSLEFLLWTE-CQSZACIVSA-N 2 1 239.407 1.404 20 0 BDADMP CN(CC[C@H]1CC[NH2+]C1)CC[NH+]1CCCCC1 ZINC000652363556 487932984 /nfs/dbraw/zinc/93/29/84/487932984.db2.gz HRTWHSLEFLLWTE-CQSZACIVSA-N 2 1 239.407 1.404 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364306 487933878 /nfs/dbraw/zinc/93/38/78/487933878.db2.gz GAXCDXHMWLALPS-VIFPVBQESA-N 2 1 204.264 1.327 20 0 BDADMP FC1(F)C[C@@]12CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652364399 487934051 /nfs/dbraw/zinc/93/40/51/487934051.db2.gz MUIURQIFUCKPNC-GHMZBOCLSA-N 2 1 230.302 1.717 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000235413520 487953556 /nfs/dbraw/zinc/95/35/56/487953556.db2.gz JQVNWBDCISTCRL-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1C[C@H](NCc2ccccc2CO)CC[N@H+]1C ZINC000151774739 323026893 /nfs/dbraw/zinc/02/68/93/323026893.db2.gz QUPNLMQCCJDXSY-SWLSCSKDSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1C ZINC000151774739 323026895 /nfs/dbraw/zinc/02/68/95/323026895.db2.gz QUPNLMQCCJDXSY-SWLSCSKDSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000151790384 323027943 /nfs/dbraw/zinc/02/79/43/323027943.db2.gz HXUSPCWQAHRVJE-DOMZBBRYSA-N 2 1 248.370 1.609 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000562956369 323034802 /nfs/dbraw/zinc/03/48/02/323034802.db2.gz QJUGGMPTYPMHAM-CHWSQXEVSA-N 3 1 227.396 1.482 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H](C)COC ZINC000163330829 323035995 /nfs/dbraw/zinc/03/59/95/323035995.db2.gz JDRARRRHJBWSNR-RYUDHWBXSA-N 2 1 216.369 1.589 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CCCC[NH3+] ZINC000569690367 323037121 /nfs/dbraw/zinc/03/71/21/323037121.db2.gz RSOAOHRRMFCSGH-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000569918899 323044228 /nfs/dbraw/zinc/04/42/28/323044228.db2.gz VOSIGWKREYTUMV-BFHYXJOUSA-N 2 1 241.423 1.693 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000569918899 323044229 /nfs/dbraw/zinc/04/42/29/323044229.db2.gz VOSIGWKREYTUMV-BFHYXJOUSA-N 3 1 241.423 1.693 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000569918899 323044230 /nfs/dbraw/zinc/04/42/30/323044230.db2.gz VOSIGWKREYTUMV-BFHYXJOUSA-N 3 1 241.423 1.693 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000569918931 323044257 /nfs/dbraw/zinc/04/42/57/323044257.db2.gz XYKBYMSUOJITCW-SNVBAGLBSA-N 2 1 210.325 1.070 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ncccc2F)C1 ZINC000570292647 323055540 /nfs/dbraw/zinc/05/55/40/323055540.db2.gz DZOUTHVBJNWTCU-VHSXEESVSA-N 2 1 223.295 1.580 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000570739981 323069071 /nfs/dbraw/zinc/06/90/71/323069071.db2.gz XIIGTSLJJOXZOQ-WCQGTBRESA-N 2 1 236.363 1.509 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000397255248 323080784 /nfs/dbraw/zinc/08/07/84/323080784.db2.gz FHCXIHCDJQKQFF-GRYCIOLGSA-N 2 1 236.363 1.225 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000397255248 323080785 /nfs/dbraw/zinc/08/07/85/323080785.db2.gz FHCXIHCDJQKQFF-GRYCIOLGSA-N 2 1 236.363 1.225 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069014 323084495 /nfs/dbraw/zinc/08/44/95/323084495.db2.gz BVPULASDQNMABF-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069014 323084496 /nfs/dbraw/zinc/08/44/96/323084496.db2.gz BVPULASDQNMABF-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069014 323084497 /nfs/dbraw/zinc/08/44/97/323084497.db2.gz BVPULASDQNMABF-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000531727698 323111574 /nfs/dbraw/zinc/11/15/74/323111574.db2.gz GQAISRONKMGPFK-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000531727698 323111575 /nfs/dbraw/zinc/11/15/75/323111575.db2.gz GQAISRONKMGPFK-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000531727698 323111576 /nfs/dbraw/zinc/11/15/76/323111576.db2.gz GQAISRONKMGPFK-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000563354246 323120405 /nfs/dbraw/zinc/12/04/05/323120405.db2.gz MYFMBFYKCNLYLT-UHFFFAOYSA-N 2 1 245.330 1.134 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CCc2n[nH]cc2C1 ZINC000563354246 323120406 /nfs/dbraw/zinc/12/04/06/323120406.db2.gz MYFMBFYKCNLYLT-UHFFFAOYSA-N 2 1 245.330 1.134 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310343271 323130970 /nfs/dbraw/zinc/13/09/70/323130970.db2.gz FIEHVNFBLBETCX-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310343271 323130971 /nfs/dbraw/zinc/13/09/71/323130971.db2.gz FIEHVNFBLBETCX-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000571295608 323140589 /nfs/dbraw/zinc/14/05/89/323140589.db2.gz ACLZGQFBDGCRMR-YPMHNXCESA-N 2 1 228.380 1.766 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000563729592 323176279 /nfs/dbraw/zinc/17/62/79/323176279.db2.gz FGQBEUZOYCBNNL-GHMZBOCLSA-N 2 1 236.363 1.633 20 0 BDADMP C[C@@H](C[NH2+]CC1(F)CC1)C[NH+]1CCCC1 ZINC000309021677 323194575 /nfs/dbraw/zinc/19/45/75/323194575.db2.gz XNOAULXNKPYRPP-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP C[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000395211273 323221699 /nfs/dbraw/zinc/22/16/99/323221699.db2.gz QBZWGUNXJPOIQD-STQMWFEESA-N 2 1 240.391 1.802 20 0 BDADMP C[N@H+](Cc1ccccc1)C1(CNC(N)=[NH2+])CCC1 ZINC000395461271 323227254 /nfs/dbraw/zinc/22/72/54/323227254.db2.gz XPJHSMWYLIEGIL-UHFFFAOYSA-N 2 1 246.358 1.524 20 0 BDADMP C[N@@H+](Cc1ccccc1)C1(CNC(N)=[NH2+])CCC1 ZINC000395461271 323227257 /nfs/dbraw/zinc/22/72/57/323227257.db2.gz XPJHSMWYLIEGIL-UHFFFAOYSA-N 2 1 246.358 1.524 20 0 BDADMP C[C@H](NCC1=CC[N@@H+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000392272982 323376918 /nfs/dbraw/zinc/37/69/18/323376918.db2.gz FBXCSYIPIUSSIP-GXTWGEPZSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000392272982 323376921 /nfs/dbraw/zinc/37/69/21/323376921.db2.gz FBXCSYIPIUSSIP-GXTWGEPZSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000392272982 323376924 /nfs/dbraw/zinc/37/69/24/323376924.db2.gz FBXCSYIPIUSSIP-GXTWGEPZSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCCN1 ZINC000392272982 323376928 /nfs/dbraw/zinc/37/69/28/323376928.db2.gz FBXCSYIPIUSSIP-GXTWGEPZSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCCN1 ZINC000392272982 323376930 /nfs/dbraw/zinc/37/69/30/323376930.db2.gz FBXCSYIPIUSSIP-GXTWGEPZSA-N 2 1 237.391 1.369 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000653543510 487962551 /nfs/dbraw/zinc/96/25/51/487962551.db2.gz QHUIDPHJTGHJEI-STQMWFEESA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000653543510 487962553 /nfs/dbraw/zinc/96/25/53/487962553.db2.gz QHUIDPHJTGHJEI-STQMWFEESA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000653543510 487962556 /nfs/dbraw/zinc/96/25/56/487962556.db2.gz QHUIDPHJTGHJEI-STQMWFEESA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000653543510 487962559 /nfs/dbraw/zinc/96/25/59/487962559.db2.gz QHUIDPHJTGHJEI-STQMWFEESA-N 2 1 226.364 1.173 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000530223339 324540360 /nfs/dbraw/zinc/54/03/60/324540360.db2.gz UEXKNXQGOJDPNF-NWDGAFQWSA-N 2 1 205.305 1.359 20 0 BDADMP O[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000383644006 487964597 /nfs/dbraw/zinc/96/45/97/487964597.db2.gz CBQQXHSALDFSJO-TZMCWYRMSA-N 2 1 238.375 1.506 20 0 BDADMP Cc1cnccc1C[NH+]1CCC([NH3+])CC1 ZINC000129862921 324990108 /nfs/dbraw/zinc/99/01/08/324990108.db2.gz ZJMRKEGRKRYQNY-UHFFFAOYSA-N 2 1 205.305 1.313 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130157918 325018578 /nfs/dbraw/zinc/01/85/78/325018578.db2.gz MTROGMRTUGCPBV-SRVKXCTJSA-N 2 1 213.369 1.009 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130157496 325018789 /nfs/dbraw/zinc/01/87/89/325018789.db2.gz MTROGMRTUGCPBV-SDDRHHMPSA-N 2 1 213.369 1.009 20 0 BDADMP CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130256413 325030856 /nfs/dbraw/zinc/03/08/56/325030856.db2.gz DDNDQPWXNGZRSK-MNOVXSKESA-N 2 1 200.326 1.095 20 0 BDADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CCOC1 ZINC000130692679 325080876 /nfs/dbraw/zinc/08/08/76/325080876.db2.gz NUEMAMGUBWDBDP-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CCOC1 ZINC000130692679 325080878 /nfs/dbraw/zinc/08/08/78/325080878.db2.gz NUEMAMGUBWDBDP-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCO)C1 ZINC000076003636 325325229 /nfs/dbraw/zinc/32/52/29/325325229.db2.gz FMLVVPCEDBHRAH-GFCCVEGCSA-N 2 1 214.353 1.033 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@H](C)C1 ZINC000134645600 325369790 /nfs/dbraw/zinc/36/97/90/325369790.db2.gz SUIYHDNQDAJEAX-RQJABVFESA-N 2 1 238.375 1.243 20 0 BDADMP COC(=O)CC1([NH2+]C[C@H]([NH3+])CC(C)C)CC1 ZINC000566316976 326032629 /nfs/dbraw/zinc/03/26/29/326032629.db2.gz AOOPJXDXKKTIGD-SNVBAGLBSA-N 2 1 228.336 1.045 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C1CC1)C1COC1 ZINC000566425765 326044946 /nfs/dbraw/zinc/04/49/46/326044946.db2.gz GNKRXUUJJAWFSH-UHFFFAOYSA-N 2 1 235.331 1.216 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C1CC1)C1COC1 ZINC000566425765 326044948 /nfs/dbraw/zinc/04/49/48/326044948.db2.gz GNKRXUUJJAWFSH-UHFFFAOYSA-N 2 1 235.331 1.216 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000566549536 326063279 /nfs/dbraw/zinc/06/32/79/326063279.db2.gz JARDAZGIJCNZDO-JQWIXIFHSA-N 2 1 214.353 1.376 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ncc[nH]1 ZINC000567049476 326106821 /nfs/dbraw/zinc/10/68/21/326106821.db2.gz XDHZWMAPWQQPCF-SNVBAGLBSA-N 2 1 230.315 1.719 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000154547693 326150006 /nfs/dbraw/zinc/15/00/06/326150006.db2.gz JOZOLLDQHBAEDZ-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000154547693 326150009 /nfs/dbraw/zinc/15/00/09/326150009.db2.gz JOZOLLDQHBAEDZ-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000154547693 326150010 /nfs/dbraw/zinc/15/00/10/326150010.db2.gz JOZOLLDQHBAEDZ-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2C)[C@H](C)C1 ZINC000154547693 326150012 /nfs/dbraw/zinc/15/00/12/326150012.db2.gz JOZOLLDQHBAEDZ-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2C)[C@H](C)C1 ZINC000154547693 326150014 /nfs/dbraw/zinc/15/00/14/326150014.db2.gz JOZOLLDQHBAEDZ-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000310475971 326193987 /nfs/dbraw/zinc/19/39/87/326193987.db2.gz BUPDBIPMOPJHKE-SYQHCUMBSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000310475971 326193989 /nfs/dbraw/zinc/19/39/89/326193989.db2.gz BUPDBIPMOPJHKE-SYQHCUMBSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000310475971 326193991 /nfs/dbraw/zinc/19/39/91/326193991.db2.gz BUPDBIPMOPJHKE-SYQHCUMBSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000310475971 326193993 /nfs/dbraw/zinc/19/39/93/326193993.db2.gz BUPDBIPMOPJHKE-SYQHCUMBSA-N 2 1 242.407 1.665 20 0 BDADMP CCOCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000567486839 326202640 /nfs/dbraw/zinc/20/26/40/326202640.db2.gz WGWOWXYZCFIXHP-UHFFFAOYSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000567486839 326202642 /nfs/dbraw/zinc/20/26/42/326202642.db2.gz WGWOWXYZCFIXHP-UHFFFAOYSA-N 2 1 212.337 1.226 20 0 BDADMP CCCC[N@H+](CCO)CCCc1c[nH+]cn1C ZINC000313872463 326284613 /nfs/dbraw/zinc/28/46/13/326284613.db2.gz ADDHEADPODXUKT-UHFFFAOYSA-N 2 1 239.363 1.447 20 0 BDADMP CCCC[N@@H+](CCO)CCCc1c[nH+]cn1C ZINC000313872463 326284616 /nfs/dbraw/zinc/28/46/16/326284616.db2.gz ADDHEADPODXUKT-UHFFFAOYSA-N 2 1 239.363 1.447 20 0 BDADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000568051608 326300539 /nfs/dbraw/zinc/30/05/39/326300539.db2.gz UEIUOIBCSCTIFQ-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1ccc(C[NH2+]CCC[NH+]2CCC2)cn1 ZINC000568236766 326331924 /nfs/dbraw/zinc/33/19/24/326331924.db2.gz UHYCYJQZMGCQSQ-UHFFFAOYSA-N 2 1 219.332 1.575 20 0 BDADMP c1nc(C2CC2)ncc1C[NH2+]CCCN1CCC1 ZINC000569019870 326387326 /nfs/dbraw/zinc/38/73/26/326387326.db2.gz PXDTUYZTHFKZLZ-UHFFFAOYSA-N 2 1 246.358 1.539 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000569104363 326390131 /nfs/dbraw/zinc/39/01/31/326390131.db2.gz GVOQFDNJUBYAEB-ZDUSSCGKSA-N 2 1 235.331 1.194 20 0 BDADMP CC[C@@H]1CO[C@H](C)CN1Cc1c[nH+]c(C)n1C ZINC000667475083 488019959 /nfs/dbraw/zinc/01/99/59/488019959.db2.gz CRCUPCVERQIWEZ-ZYHUDNBSSA-N 2 1 237.347 1.728 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cnccc2C)CC[C@@H]1[NH3+] ZINC000135502236 488039181 /nfs/dbraw/zinc/03/91/81/488039181.db2.gz KMTSZHUHSKIESE-OCCSQVGLSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)on1 ZINC000677475162 488044618 /nfs/dbraw/zinc/04/46/18/488044618.db2.gz XTBWVXOLMHXZLY-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)on1 ZINC000677475162 488044623 /nfs/dbraw/zinc/04/46/23/488044623.db2.gz XTBWVXOLMHXZLY-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)on1 ZINC000677475162 488044628 /nfs/dbraw/zinc/04/46/28/488044628.db2.gz XTBWVXOLMHXZLY-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)on1 ZINC000677475162 488044632 /nfs/dbraw/zinc/04/46/32/488044632.db2.gz XTBWVXOLMHXZLY-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP CO[C@H](C)C[N@@H+](C[C@H]1CC[NH2+]C1)C(C)C ZINC000390818950 488045434 /nfs/dbraw/zinc/04/54/34/488045434.db2.gz RZJKQILOYBMZDU-NEPJUHHUSA-N 2 1 214.353 1.341 20 0 BDADMP CN1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000084385907 488050001 /nfs/dbraw/zinc/05/00/01/488050001.db2.gz NLIGNYFBMVRXKK-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000667585415 488053447 /nfs/dbraw/zinc/05/34/47/488053447.db2.gz ZWPXYAVGFWYTLG-GFCCVEGCSA-N 2 1 248.374 1.355 20 0 BDADMP C[NH+](C)[C@H]1CCCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000667585416 488053468 /nfs/dbraw/zinc/05/34/68/488053468.db2.gz ZWPXYAVGFWYTLG-LBPRGKRZSA-N 2 1 248.374 1.355 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@@H](C)C[NH2+]C ZINC000663509966 488055251 /nfs/dbraw/zinc/05/52/51/488055251.db2.gz BLULXPBUERDGNG-QWRGUYRKSA-N 2 1 202.342 1.389 20 0 BDADMP c1cncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257649749 488075302 /nfs/dbraw/zinc/07/53/02/488075302.db2.gz CZMBBPUCVLWUKD-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP c1cncc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257649749 488075303 /nfs/dbraw/zinc/07/53/03/488075303.db2.gz CZMBBPUCVLWUKD-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP Cc1ncc(CN2CCCOC[C@H]2C)n1C ZINC000667655049 488076449 /nfs/dbraw/zinc/07/64/49/488076449.db2.gz UWORNGDZOYYEDB-SNVBAGLBSA-N 2 1 223.320 1.339 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCO2)[C@@H](C)C1 ZINC000675743546 488101076 /nfs/dbraw/zinc/10/10/76/488101076.db2.gz ZUZOTNRZXKBLBP-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667763693 488111486 /nfs/dbraw/zinc/11/14/86/488111486.db2.gz GVCRIOJCNQKPAA-ZIAGYGMSSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667794323 488121798 /nfs/dbraw/zinc/12/17/98/488121798.db2.gz DYYYGYRHUDHKIW-KBPBESRZSA-N 2 1 249.358 1.739 20 0 BDADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000086729727 487539382 /nfs/dbraw/zinc/53/93/82/487539382.db2.gz LPRMNTXLTRDVKL-ZIAGYGMSSA-N 2 1 216.328 1.495 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292306 487541575 /nfs/dbraw/zinc/54/15/75/487541575.db2.gz DHMQIFVNMNGZED-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000680258399 487554313 /nfs/dbraw/zinc/55/43/13/487554313.db2.gz RJVMDQLENACGKQ-JTQLQIEISA-N 2 1 248.330 1.038 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000161986310 487531459 /nfs/dbraw/zinc/53/14/59/487531459.db2.gz WAMCJGGJYMBILW-MNOVXSKESA-N 2 1 220.316 1.490 20 0 BDADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559774715 487490468 /nfs/dbraw/zinc/49/04/68/487490468.db2.gz XQMVGLFANCUMMN-CFVMTHIKSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559774715 487490473 /nfs/dbraw/zinc/49/04/73/487490473.db2.gz XQMVGLFANCUMMN-CFVMTHIKSA-N 2 1 248.370 1.792 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399710075 487496252 /nfs/dbraw/zinc/49/62/52/487496252.db2.gz YIHFSEHRVWDOMB-RVMXOQNASA-N 2 1 228.380 1.275 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399710075 487496254 /nfs/dbraw/zinc/49/62/54/487496254.db2.gz YIHFSEHRVWDOMB-RVMXOQNASA-N 2 1 228.380 1.275 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399710075 487496256 /nfs/dbraw/zinc/49/62/56/487496256.db2.gz YIHFSEHRVWDOMB-RVMXOQNASA-N 2 1 228.380 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399710075 487496257 /nfs/dbraw/zinc/49/62/57/487496257.db2.gz YIHFSEHRVWDOMB-RVMXOQNASA-N 2 1 228.380 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399710075 487496260 /nfs/dbraw/zinc/49/62/60/487496260.db2.gz YIHFSEHRVWDOMB-RVMXOQNASA-N 2 1 228.380 1.275 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCc3cc(N)ccc32)CC1 ZINC000094076412 487512167 /nfs/dbraw/zinc/51/21/67/487512167.db2.gz VNRQRVZJVLTXEC-HNNXBMFYSA-N 2 1 245.370 1.940 20 0 BDADMP CC[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC[C@H]1[NH3+] ZINC000662273647 487521714 /nfs/dbraw/zinc/52/17/14/487521714.db2.gz XHSDJOFSGRZNER-MXWKQRLJSA-N 2 1 248.317 1.470 20 0 BDADMP CC[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CC[C@H]1[NH3+] ZINC000662273647 487521717 /nfs/dbraw/zinc/52/17/17/487521717.db2.gz XHSDJOFSGRZNER-MXWKQRLJSA-N 2 1 248.317 1.470 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000662273552 490045120 /nfs/dbraw/zinc/04/51/20/490045120.db2.gz OELRZWOYUVFJQP-MGPQQGTHSA-N 2 1 238.375 1.485 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418985 487824199 /nfs/dbraw/zinc/82/41/99/487824199.db2.gz XPNLBAOBDMKBDB-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000038122013 487948501 /nfs/dbraw/zinc/94/85/01/487948501.db2.gz BWYPQYUTTYMXLH-UHFFFAOYSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+]CCC[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000074415227 488005099 /nfs/dbraw/zinc/00/50/99/488005099.db2.gz JTVQMVAWMHEJKT-UHFFFAOYSA-N 2 1 237.322 1.297 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000310489540 488032699 /nfs/dbraw/zinc/03/26/99/488032699.db2.gz FPGXFQRPQBHHPO-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000310489540 488032704 /nfs/dbraw/zinc/03/27/04/488032704.db2.gz FPGXFQRPQBHHPO-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000310489540 488032710 /nfs/dbraw/zinc/03/27/10/488032710.db2.gz FPGXFQRPQBHHPO-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP Cc1[nH+]cc(CN2CCO[C@@H](C)[C@H]2C)n1C ZINC000667640649 488064732 /nfs/dbraw/zinc/06/47/32/488064732.db2.gz ZOOBOPIFBCQHAL-ZJUUUORDSA-N 2 1 223.320 1.338 20 0 BDADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NCCC[NH3+] ZINC000379657584 488145945 /nfs/dbraw/zinc/14/59/45/488145945.db2.gz TWACWTUNXGYZFR-UHFFFAOYSA-N 2 1 249.402 1.835 20 0 BDADMP CN(Cc1ccccc1)CC(C)(C)[NH2+]CCC[NH3+] ZINC000379657584 488145950 /nfs/dbraw/zinc/14/59/50/488145950.db2.gz TWACWTUNXGYZFR-UHFFFAOYSA-N 2 1 249.402 1.835 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000379920921 488158429 /nfs/dbraw/zinc/15/84/29/488158429.db2.gz QNWCNNYQSVTZPF-BFHYXJOUSA-N 2 1 242.407 1.950 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667924285 488159421 /nfs/dbraw/zinc/15/94/21/488159421.db2.gz LAFYIWPMNOMJKP-KGLIPLIRSA-N 2 1 236.359 1.405 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667924284 488159487 /nfs/dbraw/zinc/15/94/87/488159487.db2.gz LAFYIWPMNOMJKP-KBPBESRZSA-N 2 1 236.359 1.405 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657876586 488159559 /nfs/dbraw/zinc/15/95/59/488159559.db2.gz XZXMAQYRNSRQQZ-FVCCEPFGSA-N 2 1 240.391 1.323 20 0 BDADMP C[NH+]1CCC([NH2+]CCCc2ccco2)CC1 ZINC000107801900 488165513 /nfs/dbraw/zinc/16/55/13/488165513.db2.gz IRNGYJQOBABQCO-UHFFFAOYSA-N 2 1 222.332 1.896 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)n1C ZINC000667947392 488165630 /nfs/dbraw/zinc/16/56/30/488165630.db2.gz OOZKJVMVGSRASQ-JSGCOSHPSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)n1C ZINC000667947392 488165633 /nfs/dbraw/zinc/16/56/33/488165633.db2.gz OOZKJVMVGSRASQ-JSGCOSHPSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CCOC(C)(C)C ZINC000678007723 488173255 /nfs/dbraw/zinc/17/32/55/488173255.db2.gz SSDNCEMZMAMBLJ-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOC(C)(C)C ZINC000678007723 488173259 /nfs/dbraw/zinc/17/32/59/488173259.db2.gz SSDNCEMZMAMBLJ-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP CCn1cncc1C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000669539915 488189972 /nfs/dbraw/zinc/18/99/72/488189972.db2.gz FGUAKOHZFKVPBL-ZDUSSCGKSA-N 2 1 248.374 1.477 20 0 BDADMP C[C@@]1(CO)CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000668031542 488191294 /nfs/dbraw/zinc/19/12/94/488191294.db2.gz ZRWJTMYMCNUTDP-ZDUSSCGKSA-N 2 1 235.331 1.176 20 0 BDADMP CC[N@@H+](CCO)Cc1ccc(C[NH+](C)C)cc1 ZINC000678121145 488200276 /nfs/dbraw/zinc/20/02/76/488200276.db2.gz RWYSWYRLSSZPHR-UHFFFAOYSA-N 2 1 236.359 1.562 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000678884335 488293074 /nfs/dbraw/zinc/29/30/74/488293074.db2.gz GBOKXRMQQAEFRG-LBPRGKRZSA-N 2 1 223.320 1.384 20 0 BDADMP Cc1cnn(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000335011261 490102943 /nfs/dbraw/zinc/10/29/43/490102943.db2.gz WNDLAVSWGZGYPZ-CQSZACIVSA-N 2 1 248.374 1.267 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385261974 490197220 /nfs/dbraw/zinc/19/72/20/490197220.db2.gz WBBQIVPDFXEZKL-DYEKYZERSA-N 2 1 246.358 1.598 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385261974 490197223 /nfs/dbraw/zinc/19/72/23/490197223.db2.gz WBBQIVPDFXEZKL-DYEKYZERSA-N 2 1 246.358 1.598 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013447 490197645 /nfs/dbraw/zinc/19/76/45/490197645.db2.gz UMBLDQGRHRINAJ-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H](Cc1cccs1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000070851789 490241605 /nfs/dbraw/zinc/24/16/05/490241605.db2.gz UWDBZORRRXSJSV-GHMZBOCLSA-N 2 1 242.388 1.191 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252772140 490267885 /nfs/dbraw/zinc/26/78/85/490267885.db2.gz LZTDHYPPNCAICU-GHMZBOCLSA-N 2 1 236.363 1.152 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@@H]1CCCO1 ZINC000631890723 490288981 /nfs/dbraw/zinc/28/89/81/490288981.db2.gz SLVPTSZWCUCCPL-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@@H]1CCCO1 ZINC000631890723 490288984 /nfs/dbraw/zinc/28/89/84/490288984.db2.gz SLVPTSZWCUCCPL-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP COc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000128838808 490592461 /nfs/dbraw/zinc/59/24/61/490592461.db2.gz DHALZABSFROCJA-ZDUSSCGKSA-N 2 1 234.343 1.927 20 0 BDADMP C[C@H](CCN(C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400943893 491069188 /nfs/dbraw/zinc/06/91/88/491069188.db2.gz CDJMHCZHXONSJC-AAVRWANBSA-N 2 1 239.407 1.304 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000324046154 491084750 /nfs/dbraw/zinc/08/47/50/491084750.db2.gz XJRCBYXVQQEFNV-KBPBESRZSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000324046154 491084751 /nfs/dbraw/zinc/08/47/51/491084751.db2.gz XJRCBYXVQQEFNV-KBPBESRZSA-N 2 1 240.391 1.466 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000090320356 491124425 /nfs/dbraw/zinc/12/44/25/491124425.db2.gz INUNNWDNTDIXCX-CHWSQXEVSA-N 2 1 234.318 1.785 20 0 BDADMP Cc1ncccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309283213 491147108 /nfs/dbraw/zinc/14/71/08/491147108.db2.gz UTDCYTAAXSJGBB-CHWSQXEVSA-N 2 1 217.316 1.041 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400479414 533782782 /nfs/dbraw/zinc/78/27/82/533782782.db2.gz FDUHJWVCJLUFKW-LPEHRKFASA-N 2 1 202.367 1.468 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250586511 535515780 /nfs/dbraw/zinc/51/57/80/535515780.db2.gz ZPRMNOBJINKQNY-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP CCOCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082540529 535515822 /nfs/dbraw/zinc/51/58/22/535515822.db2.gz UHPXAQRSZBJOKM-UHFFFAOYSA-N 2 1 226.364 1.489 20 0 BDADMP C[C@H]([NH2+]CCc1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000400404442 533874947 /nfs/dbraw/zinc/87/49/47/533874947.db2.gz QVXSHOXMDQBJBJ-AAEUAGOBSA-N 2 1 219.332 1.354 20 0 BDADMP C[C@H]([NH2+]CCc1ccncc1)[C@H]1CCC[NH2+]1 ZINC000400404445 533875645 /nfs/dbraw/zinc/87/56/45/533875645.db2.gz QVXSHOXMDQBJBJ-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP CCOC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000260173235 535647747 /nfs/dbraw/zinc/64/77/47/535647747.db2.gz FVKHBIYNZNWYKB-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000260173235 535647753 /nfs/dbraw/zinc/64/77/53/535647753.db2.gz FVKHBIYNZNWYKB-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CCS[C@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000261528220 535725010 /nfs/dbraw/zinc/72/50/10/535725010.db2.gz KEHXYZSPYVSNLZ-JTQLQIEISA-N 2 1 202.367 1.553 20 0 BDADMP CCS[C@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000261528220 535725013 /nfs/dbraw/zinc/72/50/13/535725013.db2.gz KEHXYZSPYVSNLZ-JTQLQIEISA-N 2 1 202.367 1.553 20 0 BDADMP CCc1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C)[nH+]1 ZINC000261586618 536126467 /nfs/dbraw/zinc/12/64/67/536126467.db2.gz UNTOSTHXXNSADI-SRVKXCTJSA-N 2 1 246.358 1.521 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000335642452 536481471 /nfs/dbraw/zinc/48/14/71/536481471.db2.gz HYVQJLMZAGCDDJ-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000335642452 536481473 /nfs/dbraw/zinc/48/14/73/536481473.db2.gz HYVQJLMZAGCDDJ-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400393454 528817864 /nfs/dbraw/zinc/81/78/64/528817864.db2.gz JIQDITIBCFBEGR-OLZOCXBDSA-N 2 1 227.396 1.447 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337204 528828526 /nfs/dbraw/zinc/82/85/26/528828526.db2.gz GLBKPGAOWRIHRY-UPJWGTAASA-N 2 1 227.396 1.445 20 0 BDADMP CCOC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000400469013 528995496 /nfs/dbraw/zinc/99/54/96/528995496.db2.gz UNLZRUSTSZBQCE-UPJWGTAASA-N 2 1 228.380 1.778 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000400363633 529248293 /nfs/dbraw/zinc/24/82/93/529248293.db2.gz DAQJVEJBKFFXER-RNJOBUHISA-N 2 1 228.380 1.778 20 0 BDADMP CC[C@H](C[NH+]1CCC([NH+]2CCCC2)CC1)OC ZINC000412976997 529335360 /nfs/dbraw/zinc/33/53/60/529335360.db2.gz KZUOZKGRARXSQT-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000226336387 535003692 /nfs/dbraw/zinc/00/36/92/535003692.db2.gz LEGUNBJNQYZKBT-KGLIPLIRSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000226336387 535003699 /nfs/dbraw/zinc/00/36/99/535003699.db2.gz LEGUNBJNQYZKBT-KGLIPLIRSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000226336387 535003701 /nfs/dbraw/zinc/00/37/01/535003701.db2.gz LEGUNBJNQYZKBT-KGLIPLIRSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631303 535087229 /nfs/dbraw/zinc/08/72/29/535087229.db2.gz ABHMXALCWMQVBN-STQMWFEESA-N 2 1 210.365 1.964 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336054875 535231460 /nfs/dbraw/zinc/23/14/60/535231460.db2.gz PCCNXHNVAAFOSY-ZIAGYGMSSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000336054875 535231462 /nfs/dbraw/zinc/23/14/62/535231462.db2.gz PCCNXHNVAAFOSY-ZIAGYGMSSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@H]1CN(C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000336054875 535231465 /nfs/dbraw/zinc/23/14/65/535231465.db2.gz PCCNXHNVAAFOSY-ZIAGYGMSSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000261542855 535300767 /nfs/dbraw/zinc/30/07/67/535300767.db2.gz QTRQVUORPDARPM-KBPBESRZSA-N 2 1 241.423 1.825 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000219839457 535611118 /nfs/dbraw/zinc/61/11/18/535611118.db2.gz PCUCXYZIJVYWHH-NSHDSACASA-N 2 1 222.336 1.074 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000219839457 535611123 /nfs/dbraw/zinc/61/11/23/535611123.db2.gz PCUCXYZIJVYWHH-NSHDSACASA-N 2 1 222.336 1.074 20 0 BDADMP CCC[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000179308751 535629612 /nfs/dbraw/zinc/62/96/12/535629612.db2.gz RQFZTABLEMXOJL-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000335675815 535768137 /nfs/dbraw/zinc/76/81/37/535768137.db2.gz PSLZWCZWKASMAT-ABXWRUBCSA-N 3 1 239.407 1.576 20 0 BDADMP CCN1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000335675815 535768141 /nfs/dbraw/zinc/76/81/41/535768141.db2.gz PSLZWCZWKASMAT-ABXWRUBCSA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000168345581 535803065 /nfs/dbraw/zinc/80/30/65/535803065.db2.gz OXUPHBPJOGHRAG-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261542842 535853883 /nfs/dbraw/zinc/85/38/83/535853883.db2.gz QQAGEOOBHRBZGQ-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000086886781 536057206 /nfs/dbraw/zinc/05/72/06/536057206.db2.gz QYKHWGGVZQNPKY-PWSUYJOCSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000086886781 536057208 /nfs/dbraw/zinc/05/72/08/536057208.db2.gz QYKHWGGVZQNPKY-PWSUYJOCSA-N 2 1 222.336 1.072 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000251076539 536091520 /nfs/dbraw/zinc/09/15/20/536091520.db2.gz KRIBUFXQKPPORH-AAVRWANBSA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@H](C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252566019 536129666 /nfs/dbraw/zinc/12/96/66/536129666.db2.gz ZHCRBYREBDHPHY-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252566019 536129669 /nfs/dbraw/zinc/12/96/69/536129669.db2.gz ZHCRBYREBDHPHY-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH+]1CCC([NH2+]CC(C)(C)CCCO)CC1 ZINC000221589330 536343243 /nfs/dbraw/zinc/34/32/43/536343243.db2.gz OIQCMUZIBRIVPF-UHFFFAOYSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC1SCCS1 ZINC000853022928 588716652 /nfs/dbraw/zinc/71/66/52/588716652.db2.gz HVRWQTITVIBUST-VHSXEESVSA-N 2 1 246.445 1.852 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccn2)CC[N@@H+]1C ZINC000853100275 588719925 /nfs/dbraw/zinc/71/99/25/588719925.db2.gz BCJLWRFLGLLZQS-BZPMIXESSA-N 2 1 249.358 1.187 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccn2)CC[N@H+]1C ZINC000853100275 588719926 /nfs/dbraw/zinc/71/99/26/588719926.db2.gz BCJLWRFLGLLZQS-BZPMIXESSA-N 2 1 249.358 1.187 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239287 588728160 /nfs/dbraw/zinc/72/81/60/588728160.db2.gz DKIUPTFSVDHRDD-OCCSQVGLSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ncc[nH]1 ZINC000854230083 588781056 /nfs/dbraw/zinc/78/10/56/588781056.db2.gz GNEFIWFYXAWKTA-NXEZZACHSA-N 2 1 210.325 1.434 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)C1C[NH2+]C1 ZINC000854229602 588780946 /nfs/dbraw/zinc/78/09/46/588780946.db2.gz SDKIARQKIRWQEE-HERUPUMHSA-N 2 1 232.327 1.362 20 0 BDADMP C[C@H]1CCC[N@@H+](CCNc2cc[nH+]cc2CO)C1 ZINC000891838236 582728160 /nfs/dbraw/zinc/72/81/60/582728160.db2.gz PXJYFNJFKPRDOC-LBPRGKRZSA-N 2 1 249.358 1.140 20 0 BDADMP COC1CCC(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000892251543 582813540 /nfs/dbraw/zinc/81/35/40/582813540.db2.gz IWSKPYVHCCKZMU-AKJUYKBHSA-N 2 1 238.375 1.343 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000892429157 582885121 /nfs/dbraw/zinc/88/51/21/582885121.db2.gz GFOLZYMAIOUHTE-UHFFFAOYSA-N 2 1 238.360 1.437 20 0 BDADMP Cc1cc(N)nc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)[nH+]1 ZINC000892874709 583000824 /nfs/dbraw/zinc/00/08/24/583000824.db2.gz AKNVCDXJNCDIID-UWVGGRQHSA-N 2 1 247.346 1.404 20 0 BDADMP Cc1cc(N)nc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)[nH+]1 ZINC000892874709 583000825 /nfs/dbraw/zinc/00/08/25/583000825.db2.gz AKNVCDXJNCDIID-UWVGGRQHSA-N 2 1 247.346 1.404 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnccn1 ZINC000856768743 588876627 /nfs/dbraw/zinc/87/66/27/588876627.db2.gz AZXSXZXSUYAJRM-LLVKDONJSA-N 2 1 245.330 1.407 20 0 BDADMP CNc1cc(NCCCC[N@H+](C)C2CC2)nc[nH+]1 ZINC000894141159 583316898 /nfs/dbraw/zinc/31/68/98/583316898.db2.gz GNRHMKGTNVMFPM-UHFFFAOYSA-N 2 1 249.362 1.805 20 0 BDADMP CNc1cc(NCCCC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000894141159 583316899 /nfs/dbraw/zinc/31/68/99/583316899.db2.gz GNRHMKGTNVMFPM-UHFFFAOYSA-N 2 1 249.362 1.805 20 0 BDADMP CNc1cc(NCCCC[N@H+](C)C2CC2)[nH+]cn1 ZINC000894141159 583316901 /nfs/dbraw/zinc/31/69/01/583316901.db2.gz GNRHMKGTNVMFPM-UHFFFAOYSA-N 2 1 249.362 1.805 20 0 BDADMP CNc1cc(NCCCC[N@@H+](C)C2CC2)[nH+]cn1 ZINC000894141159 583316903 /nfs/dbraw/zinc/31/69/03/583316903.db2.gz GNRHMKGTNVMFPM-UHFFFAOYSA-N 2 1 249.362 1.805 20 0 BDADMP Cc1ncoc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000894164127 583322523 /nfs/dbraw/zinc/32/25/23/583322523.db2.gz DDNHXTBKPVCSDC-JTQLQIEISA-N 2 1 248.330 1.914 20 0 BDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000726844446 583378659 /nfs/dbraw/zinc/37/86/59/583378659.db2.gz PXRJMFMZVWLUNT-TXEJJXNPSA-N 2 1 226.364 1.437 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](C(F)F)C2)CC1 ZINC000894266121 583401951 /nfs/dbraw/zinc/40/19/51/583401951.db2.gz ZSBJNLNUNWNHRB-LLVKDONJSA-N 2 1 248.317 1.294 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](C(F)F)C2)CC1 ZINC000894266121 583401953 /nfs/dbraw/zinc/40/19/53/583401953.db2.gz ZSBJNLNUNWNHRB-LLVKDONJSA-N 2 1 248.317 1.294 20 0 BDADMP C[C@H](CCNCc1cnc[nH]1)[NH+]1CCCCC1 ZINC000894443477 583459846 /nfs/dbraw/zinc/45/98/46/583459846.db2.gz CRRMBYFEGCXHTP-GFCCVEGCSA-N 2 1 236.363 1.764 20 0 BDADMP Cc1ncoc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000894780958 583520402 /nfs/dbraw/zinc/52/04/02/583520402.db2.gz BJAMBDYJICHRSA-OLZOCXBDSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000894780958 583520403 /nfs/dbraw/zinc/52/04/03/583520403.db2.gz BJAMBDYJICHRSA-OLZOCXBDSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000894780958 583520404 /nfs/dbraw/zinc/52/04/04/583520404.db2.gz BJAMBDYJICHRSA-OLZOCXBDSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000894780958 583520405 /nfs/dbraw/zinc/52/04/05/583520405.db2.gz BJAMBDYJICHRSA-OLZOCXBDSA-N 2 1 249.358 1.899 20 0 BDADMP C[NH+]1CCC([NH2+]CCO[C@H]2CCCCO2)CC1 ZINC000894799359 583522395 /nfs/dbraw/zinc/52/23/95/583522395.db2.gz MXORAFVXCDNPGZ-ZDUSSCGKSA-N 2 1 242.363 1.213 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2COCC2(C)C)C1 ZINC000894984793 583564586 /nfs/dbraw/zinc/56/45/86/583564586.db2.gz KNGUDXONAJRRBT-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894984787 583564792 /nfs/dbraw/zinc/56/47/92/583564792.db2.gz KNGUDXONAJRRBT-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1nc(C)c(C)c(N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000894996616 583566725 /nfs/dbraw/zinc/56/67/25/583566725.db2.gz NMRBQSKBBCWDIM-NSHDSACASA-N 2 1 243.314 1.635 20 0 BDADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3CO)CC[C@H]21 ZINC000895022067 583569761 /nfs/dbraw/zinc/56/97/61/583569761.db2.gz JYDGGGJQCVRBSZ-WCQYABFASA-N 2 1 247.342 1.104 20 0 BDADMP C[C@@H](CC[NH2+]Cc1ccc(F)nc1)[NH+](C)C ZINC000895294834 583638331 /nfs/dbraw/zinc/63/83/31/583638331.db2.gz VAMPWTXBXGCIPK-JTQLQIEISA-N 2 1 225.311 1.651 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cccc2nccn21)[NH+](C)C ZINC000895296366 583641443 /nfs/dbraw/zinc/64/14/43/583641443.db2.gz IARAIPUAKSZPIZ-LBPRGKRZSA-N 2 1 246.358 1.764 20 0 BDADMP CC1=NO[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000895306240 583643564 /nfs/dbraw/zinc/64/35/64/583643564.db2.gz BLTMTKHPCBJCPT-AVGNSLFASA-N 2 1 237.347 1.368 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000895306240 583643567 /nfs/dbraw/zinc/64/35/67/583643567.db2.gz BLTMTKHPCBJCPT-AVGNSLFASA-N 2 1 237.347 1.368 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000895306240 583643569 /nfs/dbraw/zinc/64/35/69/583643569.db2.gz BLTMTKHPCBJCPT-AVGNSLFASA-N 2 1 237.347 1.368 20 0 BDADMP COc1ccc(C[N@@H+](C)CC2CN(C)C2)o1 ZINC000895361901 583661049 /nfs/dbraw/zinc/66/10/49/583661049.db2.gz GQXHACHEOJEYEB-UHFFFAOYSA-N 2 1 224.304 1.282 20 0 BDADMP CC1=NO[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000895429577 583668951 /nfs/dbraw/zinc/66/89/51/583668951.db2.gz QGKDXPHCDZSXCH-WVMKXHBISA-N 2 1 237.347 1.366 20 0 BDADMP CC1=NO[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000895429577 583668952 /nfs/dbraw/zinc/66/89/52/583668952.db2.gz QGKDXPHCDZSXCH-WVMKXHBISA-N 2 1 237.347 1.366 20 0 BDADMP C[N@H+]1CC[C@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000895768253 583724115 /nfs/dbraw/zinc/72/41/15/583724115.db2.gz AOLMQMHBYJHIQM-VIFPVBQESA-N 2 1 247.346 1.054 20 0 BDADMP Cc1nc2c(c(NC[C@@H]3CCN3C)n1)CCCC2 ZINC000895771469 583725120 /nfs/dbraw/zinc/72/51/20/583725120.db2.gz ZVQBWGYERQVDSY-NSHDSACASA-N 2 1 246.358 1.780 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000858127594 588934668 /nfs/dbraw/zinc/93/46/68/588934668.db2.gz JRVKPMQUPFJKBG-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127594 588934670 /nfs/dbraw/zinc/93/46/70/588934670.db2.gz JRVKPMQUPFJKBG-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127594 588934671 /nfs/dbraw/zinc/93/46/71/588934671.db2.gz JRVKPMQUPFJKBG-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127594 588934673 /nfs/dbraw/zinc/93/46/73/588934673.db2.gz JRVKPMQUPFJKBG-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127594 588934675 /nfs/dbraw/zinc/93/46/75/588934675.db2.gz JRVKPMQUPFJKBG-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP CCO[C@@H](C[NH2+]CC1(C(C)C)CC1)C[NH+](C)C ZINC000896879056 583845007 /nfs/dbraw/zinc/84/50/07/583845007.db2.gz YHQYTBZFJWXATQ-ZDUSSCGKSA-N 2 1 242.407 1.979 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@@](C)(CC)OC)C[NH+](C)C ZINC000896879523 583845143 /nfs/dbraw/zinc/84/51/43/583845143.db2.gz CSZYVKNGZVUOEV-QWHCGFSZSA-N 2 1 246.395 1.358 20 0 BDADMP Fc1cc(C[NH2+]CCC[NH+]2CCCC2)ccn1 ZINC000858090685 588931854 /nfs/dbraw/zinc/93/18/54/588931854.db2.gz RLWHUXSJZMOUTA-UHFFFAOYSA-N 2 1 237.322 1.796 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872143021 583948222 /nfs/dbraw/zinc/94/82/22/583948222.db2.gz JFEUYXISWXPGAS-QWHCGFSZSA-N 2 1 238.375 1.616 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143020 583948232 /nfs/dbraw/zinc/94/82/32/583948232.db2.gz JFEUYXISWXPGAS-OLZOCXBDSA-N 2 1 238.375 1.616 20 0 BDADMP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000864451311 584005140 /nfs/dbraw/zinc/00/51/40/584005140.db2.gz HCLTYLSZZJYWCC-NWDGAFQWSA-N 2 1 238.379 1.194 20 0 BDADMP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000864451323 584005419 /nfs/dbraw/zinc/00/54/19/584005419.db2.gz HCLTYLSZZJYWCC-RYUDHWBXSA-N 2 1 238.379 1.194 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307399 584109533 /nfs/dbraw/zinc/10/95/33/584109533.db2.gz AZBMWQOUTGJLFE-LBPRGKRZSA-N 2 1 230.396 1.789 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)[C@H]1CCC[NH2+]1 ZINC000873281530 584128846 /nfs/dbraw/zinc/12/88/46/584128846.db2.gz KTUHKJSWYGCKMJ-VJTDZRGJSA-N 2 1 238.375 1.674 20 0 BDADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c(CO)c1 ZINC000858486937 588960099 /nfs/dbraw/zinc/96/00/99/588960099.db2.gz RIFQAODXARZWHX-UHFFFAOYSA-N 2 1 235.331 1.104 20 0 BDADMP C[C@H](NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000899272122 584192047 /nfs/dbraw/zinc/19/20/47/584192047.db2.gz YIFLMQGMWCTISV-ONGXEEELSA-N 2 1 247.346 1.110 20 0 BDADMP c1c([C@@H]2CCCC[NH2+]2)nnn1-c1cc[nH+]cc1 ZINC000899693569 584226889 /nfs/dbraw/zinc/22/68/89/584226889.db2.gz RNWHBSRVNYDBRX-NSHDSACASA-N 2 1 229.287 1.477 20 0 BDADMP CC[C@H](C)C[C@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000900008742 584264744 /nfs/dbraw/zinc/26/47/44/584264744.db2.gz AFPTZHBNPLHVFD-AEJSXWLSSA-N 2 1 240.351 1.656 20 0 BDADMP C[C@@H](CN(C)C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384347 584577530 /nfs/dbraw/zinc/57/75/30/584577530.db2.gz JFAZJSYDJSTLLP-NWDGAFQWSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401761 584587370 /nfs/dbraw/zinc/58/73/70/584587370.db2.gz CXFACHGWTFXQPH-FRRDWIJNSA-N 2 1 239.407 1.210 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000902415828 584590671 /nfs/dbraw/zinc/59/06/71/584590671.db2.gz KMVUOMLUWHLUQU-GFCCVEGCSA-N 2 1 220.291 1.894 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902431209 584595468 /nfs/dbraw/zinc/59/54/68/584595468.db2.gz SIXFQGOCRQURIU-FQUUOJAGSA-N 2 1 240.391 1.515 20 0 BDADMP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@H+]1C1CC1 ZINC000902474493 584601949 /nfs/dbraw/zinc/60/19/49/584601949.db2.gz FPECVYALCYHSLE-QPKSUZNQSA-N 2 1 235.375 1.094 20 0 BDADMP C1C[C@@H]2C[C@@H](N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@H+]2C1 ZINC000902475291 584602647 /nfs/dbraw/zinc/60/26/47/584602647.db2.gz HRZQXTNTZMTROF-XHJNMGKDSA-N 2 1 235.375 1.096 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000902450091 584606398 /nfs/dbraw/zinc/60/63/98/584606398.db2.gz QNJISWJPCRHJCZ-UWVGGRQHSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1NCC[N@H+]1CCC(C)(C)C1 ZINC000902456654 584610192 /nfs/dbraw/zinc/61/01/92/584610192.db2.gz QADQPTLNIXCPQH-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000902464257 584613006 /nfs/dbraw/zinc/61/30/06/584613006.db2.gz AWJMYYYNLJTCQN-ODXJTPSBSA-N 2 1 238.375 1.673 20 0 BDADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468914 584615730 /nfs/dbraw/zinc/61/57/30/584615730.db2.gz YAXMFKJTXJEFIA-XQHKEYJVSA-N 2 1 236.359 1.428 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000902471231 584616812 /nfs/dbraw/zinc/61/68/12/584616812.db2.gz KQBDHXUECULBAZ-PREPNJAASA-N 2 1 210.321 1.036 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H](O)C2CC2)c2ccccc21 ZINC000902506608 584621836 /nfs/dbraw/zinc/62/18/36/584621836.db2.gz YRBPOANGNRVYFC-KFWWJZLASA-N 2 1 246.354 1.882 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902516289 584630187 /nfs/dbraw/zinc/63/01/87/584630187.db2.gz CQVGQRJNUMWMBY-BQUFFADESA-N 2 1 224.348 1.142 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902518453 584630555 /nfs/dbraw/zinc/63/05/55/584630555.db2.gz LIXPEGJGBHMEKU-SRVKXCTJSA-N 2 1 224.348 1.142 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C/C=C/Cl ZINC000902518139 584631062 /nfs/dbraw/zinc/63/10/62/584631062.db2.gz KXCQDYQBPHESMJ-WQFVMHTJSA-N 2 1 202.729 1.989 20 0 BDADMP CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000902621248 584644660 /nfs/dbraw/zinc/64/46/60/584644660.db2.gz BWGBSLGSGMPJCH-UHFFFAOYSA-N 2 1 249.314 1.744 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCO)CC(C)(C)C ZINC000903434276 584762001 /nfs/dbraw/zinc/76/20/01/584762001.db2.gz ABMMSVSCZUZTRM-NEPJUHHUSA-N 2 1 228.380 1.182 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3COCC[C@H]32)C1 ZINC000903441458 584763520 /nfs/dbraw/zinc/76/35/20/584763520.db2.gz SZLQTTFFSMPUCQ-IGQOVBAYSA-N 2 1 238.375 1.615 20 0 BDADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)OC1CC1 ZINC000903420526 584763988 /nfs/dbraw/zinc/76/39/88/584763988.db2.gz ARDLVLOIMHGIEC-UHFFFAOYSA-N 2 1 224.348 1.382 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000903464149 584767257 /nfs/dbraw/zinc/76/72/57/584767257.db2.gz BFOKGTSJIHODJW-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000903464149 584767258 /nfs/dbraw/zinc/76/72/58/584767258.db2.gz BFOKGTSJIHODJW-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1CCO ZINC000903463981 584767271 /nfs/dbraw/zinc/76/72/71/584767271.db2.gz VLKPZRLMCKXJOG-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H](c1ncccn1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000903447581 584770760 /nfs/dbraw/zinc/77/07/60/584770760.db2.gz YOCDBNQZNSXVRF-XQHKEYJVSA-N 2 1 246.358 1.597 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000903447581 584770761 /nfs/dbraw/zinc/77/07/61/584770761.db2.gz YOCDBNQZNSXVRF-XQHKEYJVSA-N 2 1 246.358 1.597 20 0 BDADMP COC[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C(C)C ZINC000903455116 584773094 /nfs/dbraw/zinc/77/30/94/584773094.db2.gz QEZRGBVPZPBAMN-RYUDHWBXSA-N 2 1 230.396 1.868 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CN1C ZINC000903454416 584773518 /nfs/dbraw/zinc/77/35/18/584773518.db2.gz BOOMMDSWPMSUFG-RVMXOQNASA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000903455277 584773919 /nfs/dbraw/zinc/77/39/19/584773919.db2.gz SHSPISQULRSGFG-MCIONIFRSA-N 2 1 245.370 1.726 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455539 584774054 /nfs/dbraw/zinc/77/40/54/584774054.db2.gz ZEDDBFPAENQCFB-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000903471786 584775593 /nfs/dbraw/zinc/77/55/93/584775593.db2.gz MOVQDVKZZNGDOY-STQMWFEESA-N 2 1 238.375 1.676 20 0 BDADMP [NH3+]CCCCCCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000903472182 584776364 /nfs/dbraw/zinc/77/63/64/584776364.db2.gz XMPJGKXNQIXRCL-CYBMUJFWSA-N 2 1 239.407 1.770 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903475714 584777009 /nfs/dbraw/zinc/77/70/09/584777009.db2.gz BBJSBWMCBYBGMH-FQUUOJAGSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903475714 584777010 /nfs/dbraw/zinc/77/70/10/584777010.db2.gz BBJSBWMCBYBGMH-FQUUOJAGSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000903482491 584778957 /nfs/dbraw/zinc/77/89/57/584778957.db2.gz JGYGZIVSGDBBKU-OLZOCXBDSA-N 3 1 227.396 1.293 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CC1 ZINC000903498470 584780268 /nfs/dbraw/zinc/78/02/68/584780268.db2.gz GSAZTZOIXDQNDU-MRVWCRGKSA-N 2 1 240.391 1.718 20 0 BDADMP C[NH2+]CCC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491140 584780806 /nfs/dbraw/zinc/78/08/06/584780806.db2.gz XBUUPINJXQPKIK-LSDHHAIUSA-N 2 1 230.355 1.869 20 0 BDADMP [NH3+]CCC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491212 584780904 /nfs/dbraw/zinc/78/09/04/584780904.db2.gz ZIWUSLNTESUDNR-KGLIPLIRSA-N 2 1 216.328 1.609 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1[NH3+] ZINC000903560051 584782207 /nfs/dbraw/zinc/78/22/07/584782207.db2.gz RPIVAAUSYNNDOC-DMDPSCGWSA-N 2 1 224.348 1.082 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1[NH3+] ZINC000903560051 584782209 /nfs/dbraw/zinc/78/22/09/584782209.db2.gz RPIVAAUSYNNDOC-DMDPSCGWSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903560058 584782422 /nfs/dbraw/zinc/78/24/22/584782422.db2.gz RWCGGMDKUCXKMK-GARJFASQSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903560058 584782424 /nfs/dbraw/zinc/78/24/24/584782424.db2.gz RWCGGMDKUCXKMK-GARJFASQSA-N 2 1 212.337 1.081 20 0 BDADMP CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000903716655 584791833 /nfs/dbraw/zinc/79/18/33/584791833.db2.gz AVNYHWROGJTWAJ-DMDPSCGWSA-N 2 1 242.363 1.149 20 0 BDADMP CCCC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718118 584792259 /nfs/dbraw/zinc/79/22/59/584792259.db2.gz ZYISPAVFQAOBOA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729004 584792972 /nfs/dbraw/zinc/79/29/72/584792972.db2.gz JCQOLCQXGZGEJH-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729002 584793028 /nfs/dbraw/zinc/79/30/28/584793028.db2.gz JCQOLCQXGZGEJH-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1C ZINC000903734755 584795932 /nfs/dbraw/zinc/79/59/32/584795932.db2.gz WCRDMKKGOFXUOV-RFQIPJPRSA-N 2 1 238.375 1.343 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734085 584795936 /nfs/dbraw/zinc/79/59/36/584795936.db2.gz UYLQLMWGOYOFDU-MGPQQGTHSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903735140 584796129 /nfs/dbraw/zinc/79/61/29/584796129.db2.gz YBPOVFHICNJNSC-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1C ZINC000903734753 584796203 /nfs/dbraw/zinc/79/62/03/584796203.db2.gz WCRDMKKGOFXUOV-CRWXNKLISA-N 2 1 238.375 1.343 20 0 BDADMP CC1CC(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000903784012 584800422 /nfs/dbraw/zinc/80/04/22/584800422.db2.gz IYOPXRBCUKVEDV-POOIEITISA-N 2 1 210.365 1.949 20 0 BDADMP CCOCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903796005 584800880 /nfs/dbraw/zinc/80/08/80/584800880.db2.gz QUGCTBPSLMRKPJ-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903796005 584800881 /nfs/dbraw/zinc/80/08/81/584800881.db2.gz QUGCTBPSLMRKPJ-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP Nc1cccc(C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903800347 584801763 /nfs/dbraw/zinc/80/17/63/584801763.db2.gz GSMQHYLEHJVYBI-HIFRSBDPSA-N 2 1 245.370 1.972 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903800347 584801764 /nfs/dbraw/zinc/80/17/64/584801764.db2.gz GSMQHYLEHJVYBI-HIFRSBDPSA-N 2 1 245.370 1.972 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])O1 ZINC000903801679 584802393 /nfs/dbraw/zinc/80/23/93/584802393.db2.gz PAOWPLHVNUAHSL-SYQHCUMBSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])O1 ZINC000903801679 584802395 /nfs/dbraw/zinc/80/23/95/584802395.db2.gz PAOWPLHVNUAHSL-SYQHCUMBSA-N 2 1 238.375 1.757 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903855581 584809072 /nfs/dbraw/zinc/80/90/72/584809072.db2.gz NOOUTOZYILMYCK-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855581 584809074 /nfs/dbraw/zinc/80/90/74/584809074.db2.gz NOOUTOZYILMYCK-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP COCCCCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903854464 584809088 /nfs/dbraw/zinc/80/90/88/584809088.db2.gz JGMCJHAQCLKYDG-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903854464 584809089 /nfs/dbraw/zinc/80/90/89/584809089.db2.gz JGMCJHAQCLKYDG-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP COC(=O)CCCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903860871 584811596 /nfs/dbraw/zinc/81/15/96/584811596.db2.gz UNANYRMBPRFUJZ-AAEUAGOBSA-N 2 1 240.347 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903860871 584811597 /nfs/dbraw/zinc/81/15/97/584811597.db2.gz UNANYRMBPRFUJZ-AAEUAGOBSA-N 2 1 240.347 1.143 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865162 584813176 /nfs/dbraw/zinc/81/31/76/584813176.db2.gz AXJOKZGDKSSEFX-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865162 584813180 /nfs/dbraw/zinc/81/31/80/584813180.db2.gz AXJOKZGDKSSEFX-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP CC[N@H+](CC(=O)OC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890550 584814027 /nfs/dbraw/zinc/81/40/27/584814027.db2.gz FEHLRKRMSPLMSU-YOGCLGLASA-N 2 1 240.347 1.012 20 0 BDADMP C=C/C=C\CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870700 584814606 /nfs/dbraw/zinc/81/46/06/584814606.db2.gz PKVXYRRLRGDGAU-DHCBQETCSA-N 2 1 206.333 1.947 20 0 BDADMP C=C/C=C\CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870700 584814607 /nfs/dbraw/zinc/81/46/07/584814607.db2.gz PKVXYRRLRGDGAU-DHCBQETCSA-N 2 1 206.333 1.947 20 0 BDADMP OC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874147 584815874 /nfs/dbraw/zinc/81/58/74/584815874.db2.gz TWWVFPPSTXISCS-RLAWYHOSSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1NCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000903873946 584816054 /nfs/dbraw/zinc/81/60/54/584816054.db2.gz OOMCYSUWHZMISF-WSOGJNRSSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1[NH2+]CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000903873946 584816056 /nfs/dbraw/zinc/81/60/56/584816056.db2.gz OOMCYSUWHZMISF-WSOGJNRSSA-N 2 1 237.391 1.199 20 0 BDADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C(C)C)cnn1C ZINC000903873635 584816127 /nfs/dbraw/zinc/81/61/27/584816127.db2.gz VXZSVQWMXPNBCD-LBPRGKRZSA-N 2 1 238.379 1.186 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903874479 584816431 /nfs/dbraw/zinc/81/64/31/584816431.db2.gz BQXLDRJMAQMPEU-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903882003 584818040 /nfs/dbraw/zinc/81/80/40/584818040.db2.gz LQMYBYYNSVJQOC-XBFCOCLRSA-N 2 1 238.375 1.615 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903907983 584821737 /nfs/dbraw/zinc/82/17/37/584821737.db2.gz BVRRRGHOXJDKLJ-MWLCHTKSSA-N 2 1 236.306 1.206 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903907983 584821738 /nfs/dbraw/zinc/82/17/38/584821738.db2.gz BVRRRGHOXJDKLJ-MWLCHTKSSA-N 2 1 236.306 1.206 20 0 BDADMP COC(=O)c1ccc(C[NH2+]CCC(C)(C)[NH3+])o1 ZINC000903938811 584826858 /nfs/dbraw/zinc/82/68/58/584826858.db2.gz LMZIPHHXLFEJHK-UHFFFAOYSA-N 2 1 240.303 1.283 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903954038 584831638 /nfs/dbraw/zinc/83/16/38/584831638.db2.gz OICQEDRPXKGRFP-QWRGUYRKSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C1CCC([NH2+]C[C@H]2CNCCC2(F)F)CC1 ZINC000903956439 584832086 /nfs/dbraw/zinc/83/20/86/584832086.db2.gz LUBOHKVGHQKRAZ-KPPDAEKUSA-N 2 1 247.333 1.091 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969775 584832259 /nfs/dbraw/zinc/83/22/59/584832259.db2.gz KXIWKLIXDQQDNW-UPJWGTAASA-N 2 1 238.375 1.391 20 0 BDADMP CC(C)(C)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974114 584832572 /nfs/dbraw/zinc/83/25/72/584832572.db2.gz MCDVNICOVJEHLP-GFCCVEGCSA-N 2 1 240.391 1.781 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978388 584832902 /nfs/dbraw/zinc/83/29/02/584832902.db2.gz NWMJOWMCCRYVBZ-JHJVBQTASA-N 3 1 227.396 1.277 20 0 BDADMP CC(C)C[C@@H](N)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978388 584832903 /nfs/dbraw/zinc/83/29/03/584832903.db2.gz NWMJOWMCCRYVBZ-JHJVBQTASA-N 2 1 227.396 1.277 20 0 BDADMP CC(C)C[C@@H](N)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978388 584832904 /nfs/dbraw/zinc/83/29/04/584832904.db2.gz NWMJOWMCCRYVBZ-JHJVBQTASA-N 2 1 227.396 1.277 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CC[NH3+] ZINC000903978131 584832945 /nfs/dbraw/zinc/83/29/45/584832945.db2.gz GDWZHMKFOIGJCM-AAVRWANBSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1CC[NH3+] ZINC000903978133 584833152 /nfs/dbraw/zinc/83/31/52/584833152.db2.gz GDWZHMKFOIGJCM-YIYPIFLZSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904299484 584860824 /nfs/dbraw/zinc/86/08/24/584860824.db2.gz FQGOJEYBISLBHM-DOMZBBRYSA-N 3 1 247.386 1.847 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904299484 584860825 /nfs/dbraw/zinc/86/08/25/584860825.db2.gz FQGOJEYBISLBHM-DOMZBBRYSA-N 3 1 247.386 1.847 20 0 BDADMP CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904300850 584861071 /nfs/dbraw/zinc/86/10/71/584861071.db2.gz CDCBWZXLFKONHH-OAHLLOKOSA-N 2 1 247.386 1.719 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904300850 584861072 /nfs/dbraw/zinc/86/10/72/584861072.db2.gz CDCBWZXLFKONHH-OAHLLOKOSA-N 2 1 247.386 1.719 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](CO)C1 ZINC000904315994 584862513 /nfs/dbraw/zinc/86/25/13/584862513.db2.gz IEPYXLCTGQZQMY-RYUDHWBXSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H](CO)C1 ZINC000904315994 584862514 /nfs/dbraw/zinc/86/25/14/584862514.db2.gz IEPYXLCTGQZQMY-RYUDHWBXSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904322077 584864638 /nfs/dbraw/zinc/86/46/38/584864638.db2.gz NXKWEZGETJTYDP-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904322630 584864836 /nfs/dbraw/zinc/86/48/36/584864836.db2.gz FVVVYMBZSRIPAB-YVECIDJPSA-N 2 1 240.391 1.859 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](OC(F)F)C2)C1 ZINC000904332879 584865745 /nfs/dbraw/zinc/86/57/45/584865745.db2.gz SEOAWXQHHCNLFO-KXUCPTDWSA-N 2 1 234.290 1.427 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329335 584866117 /nfs/dbraw/zinc/86/61/17/584866117.db2.gz WLHYNVGNDSUPJU-XQQFMLRXSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)(C)CC[C@@H](N)C[NH2+]C1CCC([NH3+])CC1 ZINC000904333764 584866481 /nfs/dbraw/zinc/86/64/81/584866481.db2.gz FOEVAJKAFYFORI-OTTFEQOBSA-N 2 1 241.423 2.000 20 0 BDADMP C[N@@H+](CCCCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904341967 584867083 /nfs/dbraw/zinc/86/70/83/584867083.db2.gz SMGIUPXAIJPWCD-CYBMUJFWSA-N 2 1 228.380 1.471 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3COCC[C@H]32)C1 ZINC000904344971 584867673 /nfs/dbraw/zinc/86/76/73/584867673.db2.gz BZNZBLZPDRXRRG-FVCCEPFGSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000904343499 584867893 /nfs/dbraw/zinc/86/78/93/584867893.db2.gz UPIFMSILMBAWOL-WUHRBBMRSA-N 2 1 224.348 1.082 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]3COCC[C@H]32)C1 ZINC000904344974 584867964 /nfs/dbraw/zinc/86/79/64/584867964.db2.gz BZNZBLZPDRXRRG-WUHRBBMRSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2C2CCOCC2)C1 ZINC000904346142 584868191 /nfs/dbraw/zinc/86/81/91/584868191.db2.gz PNAFZQGUQQRFKM-YUTCNCBUSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349741 584868868 /nfs/dbraw/zinc/86/88/68/584868868.db2.gz ASPPQSCTNVNSCI-AXTSPUMRSA-N 2 1 236.281 1.996 20 0 BDADMP NCC[N@@H+](CCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350524 584868897 /nfs/dbraw/zinc/86/88/97/584868897.db2.gz LFAODXFYAOHXCE-GASCZTMLSA-N 2 1 247.386 1.227 20 0 BDADMP [NH3+]CCN(CCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350524 584868898 /nfs/dbraw/zinc/86/88/98/584868898.db2.gz LFAODXFYAOHXCE-GASCZTMLSA-N 2 1 247.386 1.227 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])CNCC(F)(F)C[NH3+] ZINC000904354955 584870952 /nfs/dbraw/zinc/87/09/52/584870952.db2.gz HSBKGVJGYUGHHI-SECBINFHSA-N 2 1 237.338 1.324 20 0 BDADMP [NH3+]Cc1ccc(CN[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000904359017 584871607 /nfs/dbraw/zinc/87/16/07/584871607.db2.gz WALULMGLSLCLTF-HNNXBMFYSA-N 2 1 247.386 1.752 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000904359017 584871608 /nfs/dbraw/zinc/87/16/08/584871608.db2.gz WALULMGLSLCLTF-HNNXBMFYSA-N 3 1 247.386 1.752 20 0 BDADMP CNc1ccc([NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904381283 584876829 /nfs/dbraw/zinc/87/68/29/584876829.db2.gz SIANJNJWTKORGL-AOOOYVTPSA-N 2 1 205.305 1.878 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000904406708 584878640 /nfs/dbraw/zinc/87/86/40/584878640.db2.gz UVQAVZKYCACSIF-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904409703 584879216 /nfs/dbraw/zinc/87/92/16/584879216.db2.gz GQOCQHCGJLMQHP-UPJWGTAASA-N 2 1 227.396 1.277 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904409703 584879217 /nfs/dbraw/zinc/87/92/17/584879217.db2.gz GQOCQHCGJLMQHP-UPJWGTAASA-N 2 1 227.396 1.277 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000904412930 584879968 /nfs/dbraw/zinc/87/99/68/584879968.db2.gz ZKDVZUGUQGZCPL-ZYHUDNBSSA-N 2 1 249.358 1.512 20 0 BDADMP C[C@@H](CO)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144942 584972815 /nfs/dbraw/zinc/97/28/15/584972815.db2.gz SMEFJXKFHXDXSE-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H](CO)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815144942 584972816 /nfs/dbraw/zinc/97/28/16/584972816.db2.gz SMEFJXKFHXDXSE-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361674980 585025118 /nfs/dbraw/zinc/02/51/18/585025118.db2.gz JBCWAYDKFXECLB-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361674980 585025119 /nfs/dbraw/zinc/02/51/19/585025119.db2.gz JBCWAYDKFXECLB-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361674980 585025120 /nfs/dbraw/zinc/02/51/20/585025120.db2.gz JBCWAYDKFXECLB-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H](CCO)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000840810286 585049314 /nfs/dbraw/zinc/04/93/14/585049314.db2.gz QIVCZJHYZGMNOD-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)C3CC3)C2)C1 ZINC000839026052 585087956 /nfs/dbraw/zinc/08/79/56/585087956.db2.gz RNXXNXFRSPEMBB-KGLIPLIRSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)C3CC3)C2)C1 ZINC000839026052 585087957 /nfs/dbraw/zinc/08/79/57/585087957.db2.gz RNXXNXFRSPEMBB-KGLIPLIRSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)C3CC3)C2)C1 ZINC000839026052 585087958 /nfs/dbraw/zinc/08/79/58/585087958.db2.gz RNXXNXFRSPEMBB-KGLIPLIRSA-N 2 1 238.375 1.175 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)C3CC3)C2)C1 ZINC000839026053 585088024 /nfs/dbraw/zinc/08/80/24/585088024.db2.gz RNXXNXFRSPEMBB-UONOGXRCSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)C3CC3)C2)C1 ZINC000839026053 585088025 /nfs/dbraw/zinc/08/80/25/585088025.db2.gz RNXXNXFRSPEMBB-UONOGXRCSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)C3CC3)C2)C1 ZINC000839026053 585088026 /nfs/dbraw/zinc/08/80/26/585088026.db2.gz RNXXNXFRSPEMBB-UONOGXRCSA-N 2 1 238.375 1.175 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000741215600 585111433 /nfs/dbraw/zinc/11/14/33/585111433.db2.gz IWPDQTUUSDJNHN-GFCCVEGCSA-N 2 1 243.395 1.031 20 0 BDADMP Cc1ccccc1[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000741783333 585118484 /nfs/dbraw/zinc/11/84/84/585118484.db2.gz ZOVGMTPETUYDGW-GUTXKFCHSA-N 2 1 246.354 1.180 20 0 BDADMP Cc1ccc([C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000743262287 585134575 /nfs/dbraw/zinc/13/45/75/585134575.db2.gz SUVLCVZUEHXTMO-ZNMIVQPWSA-N 2 1 246.354 1.180 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NC1CCCC1 ZINC000221246521 585255469 /nfs/dbraw/zinc/25/54/69/585255469.db2.gz XTSUCXSQFPSIGK-NSHDSACASA-N 2 1 240.395 1.773 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000839659409 585333615 /nfs/dbraw/zinc/33/36/15/585333615.db2.gz CTDRAHVYPKYSPK-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000839659409 585333616 /nfs/dbraw/zinc/33/36/16/585333616.db2.gz CTDRAHVYPKYSPK-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000761079505 585406762 /nfs/dbraw/zinc/40/67/62/585406762.db2.gz ZXMDERBLMWPIFG-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000761079505 585406763 /nfs/dbraw/zinc/40/67/63/585406763.db2.gz ZXMDERBLMWPIFG-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000761079505 585406764 /nfs/dbraw/zinc/40/67/64/585406764.db2.gz ZXMDERBLMWPIFG-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2C[C@H]21 ZINC000761088070 585407733 /nfs/dbraw/zinc/40/77/33/585407733.db2.gz QAKDCBDRWMCDML-YNEHKIRRSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761088070 585407734 /nfs/dbraw/zinc/40/77/34/585407734.db2.gz QAKDCBDRWMCDML-YNEHKIRRSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]2C[C@H]21 ZINC000761088070 585407735 /nfs/dbraw/zinc/40/77/35/585407735.db2.gz QAKDCBDRWMCDML-YNEHKIRRSA-N 2 1 208.349 1.955 20 0 BDADMP C[C@@H](CCO)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000779343364 585752066 /nfs/dbraw/zinc/75/20/66/585752066.db2.gz XGYDQHYVDNQNKY-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779393282 585753148 /nfs/dbraw/zinc/75/31/48/585753148.db2.gz RCYUWICCVGJMTL-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000781904154 585805270 /nfs/dbraw/zinc/80/52/70/585805270.db2.gz NKFGVGXLLAVBFG-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000783240772 585832000 /nfs/dbraw/zinc/83/20/00/585832000.db2.gz QPLWXLZKIJGBBG-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@H](C)C1 ZINC000783308807 585833463 /nfs/dbraw/zinc/83/34/63/585833463.db2.gz FTMBDHXIHBTXIO-RDBSUJKOSA-N 2 1 238.375 1.999 20 0 BDADMP Cc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)n(C)n1 ZINC000793525694 586021592 /nfs/dbraw/zinc/02/15/92/586021592.db2.gz JPGQXLMLUADHCK-JQWIXIFHSA-N 2 1 238.379 1.719 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000799308960 586169204 /nfs/dbraw/zinc/16/92/04/586169204.db2.gz HMNYCHOQBYGULE-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000799308960 586169206 /nfs/dbraw/zinc/16/92/06/586169206.db2.gz HMNYCHOQBYGULE-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000799308960 586169207 /nfs/dbraw/zinc/16/92/07/586169207.db2.gz HMNYCHOQBYGULE-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCCO)C2)C1 ZINC000815144474 586669725 /nfs/dbraw/zinc/66/97/25/586669725.db2.gz DLFLIIXGWUBLQV-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCCO)C2)C1 ZINC000815144474 586669726 /nfs/dbraw/zinc/66/97/26/586669726.db2.gz DLFLIIXGWUBLQV-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCCO)C2)C1 ZINC000815144474 586669727 /nfs/dbraw/zinc/66/97/27/586669727.db2.gz DLFLIIXGWUBLQV-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP COC(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000815145544 586670366 /nfs/dbraw/zinc/67/03/66/586670366.db2.gz XZLCJJXPLAVPGR-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000815145544 586670367 /nfs/dbraw/zinc/67/03/67/586670367.db2.gz XZLCJJXPLAVPGR-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OC ZINC000815145544 586670369 /nfs/dbraw/zinc/67/03/69/586670369.db2.gz XZLCJJXPLAVPGR-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)OC ZINC000815145544 586670370 /nfs/dbraw/zinc/67/03/70/586670370.db2.gz XZLCJJXPLAVPGR-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912361 586831392 /nfs/dbraw/zinc/83/13/92/586831392.db2.gz GJFOLGAYJMAQTG-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@H]([NH2+]CCOc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000817894082 586833546 /nfs/dbraw/zinc/83/35/46/586833546.db2.gz XWRMYYQHRFDNEO-KBPBESRZSA-N 2 1 249.358 1.581 20 0 BDADMP CC[C@H]([NH2+]CCc1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000817923300 586840891 /nfs/dbraw/zinc/84/08/91/586840891.db2.gz WPFIPXUFYDRHOZ-STQMWFEESA-N 2 1 236.363 1.083 20 0 BDADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817926371 586840896 /nfs/dbraw/zinc/84/08/96/586840896.db2.gz HOUIESMCOILDPX-IHRRRGAJSA-N 2 1 234.343 1.498 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1F ZINC000817927718 586841019 /nfs/dbraw/zinc/84/10/19/586841019.db2.gz QKTPLCQJRJZLBJ-PWSUYJOCSA-N 2 1 237.322 1.698 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1c[nH+]ccc1N ZINC000817923939 586841130 /nfs/dbraw/zinc/84/11/30/586841130.db2.gz ITCJKMOPAMRZDE-QWRGUYRKSA-N 2 1 233.315 1.837 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1F ZINC000817927717 586841907 /nfs/dbraw/zinc/84/19/07/586841907.db2.gz QKTPLCQJRJZLBJ-JQWIXIFHSA-N 2 1 237.322 1.698 20 0 BDADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000817933173 586843619 /nfs/dbraw/zinc/84/36/19/586843619.db2.gz ZASUEEXGKZYIRX-QLFBSQMISA-N 2 1 248.370 1.806 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000817954600 586849609 /nfs/dbraw/zinc/84/96/09/586849609.db2.gz ZUMDHPOVGUAOPB-GFCCVEGCSA-N 2 1 236.363 1.765 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000817969931 586856158 /nfs/dbraw/zinc/85/61/58/586856158.db2.gz IIQAYCRZOGLSRB-VHSXEESVSA-N 2 1 247.342 1.569 20 0 BDADMP c1n[nH]c2c1[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976622 586860245 /nfs/dbraw/zinc/86/02/45/586860245.db2.gz PSLIIIXYFOOALX-DGCLKSJQSA-N 2 1 246.358 1.519 20 0 BDADMP C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820807264 587073336 /nfs/dbraw/zinc/07/33/36/587073336.db2.gz DSJCUEFTXVOCQU-KVAMGIGCSA-N 2 1 224.348 1.115 20 0 BDADMP C[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820810951 587073914 /nfs/dbraw/zinc/07/39/14/587073914.db2.gz HZMATWWWJJSNNX-WDFAYWTNSA-N 2 1 238.375 1.505 20 0 BDADMP CN(C)c1cc(NC(=O)C[C@H]([NH3+])C2CC2)cc[nH+]1 ZINC000832008348 587642634 /nfs/dbraw/zinc/64/26/34/587642634.db2.gz BSGHWPPMSIFFCG-NSHDSACASA-N 2 1 248.330 1.214 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000832564028 587666365 /nfs/dbraw/zinc/66/63/65/587666365.db2.gz AQHLUNADOOYNED-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000832564028 587666367 /nfs/dbraw/zinc/66/63/67/587666367.db2.gz AQHLUNADOOYNED-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000834452689 587755482 /nfs/dbraw/zinc/75/54/82/587755482.db2.gz JQSLHBTUPNZDEA-LBPRGKRZSA-N 2 1 243.395 1.352 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](C(F)F)C2)CC[NH2+]1 ZINC000841021716 587935352 /nfs/dbraw/zinc/93/53/52/587935352.db2.gz FFOZRNXJMBERIT-OUAUKWLOSA-N 2 1 248.317 1.340 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](C(F)F)C2)CC[NH2+]1 ZINC000841021715 587935674 /nfs/dbraw/zinc/93/56/74/587935674.db2.gz FFOZRNXJMBERIT-MXWKQRLJSA-N 2 1 248.317 1.340 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842476012 588029571 /nfs/dbraw/zinc/02/95/71/588029571.db2.gz DKEPQYFNUIKSPF-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000842478548 588029870 /nfs/dbraw/zinc/02/98/70/588029870.db2.gz KQBOTJMBYJYMGJ-ZIAGYGMSSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@@]1(CNCc2ccc(CC[NH3+])cc2)CC[NH2+]C1 ZINC000843125759 588084637 /nfs/dbraw/zinc/08/46/37/588084637.db2.gz HJSKBKVANOLASX-OAHLLOKOSA-N 2 1 247.386 1.277 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[N@H+]1C ZINC000843342418 588101532 /nfs/dbraw/zinc/10/15/32/588101532.db2.gz QLAILXKWLCADKH-STQMWFEESA-N 3 1 227.396 1.578 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CCN1C ZINC000843342418 588101534 /nfs/dbraw/zinc/10/15/34/588101534.db2.gz QLAILXKWLCADKH-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347218 588101837 /nfs/dbraw/zinc/10/18/37/588101837.db2.gz GBWLYUBBNZPEAI-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843347736 588102255 /nfs/dbraw/zinc/10/22/55/588102255.db2.gz JLNQMVVHGPYDDX-CYBMUJFWSA-N 3 1 227.396 1.566 20 0 BDADMP NC[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843348149 588102671 /nfs/dbraw/zinc/10/26/71/588102671.db2.gz YUNNIRJAAJVTDK-ZDUSSCGKSA-N 2 1 227.396 1.709 20 0 BDADMP [NH3+]CCCCCCCN1CCCC[C@H]1C[NH3+] ZINC000843348149 588102672 /nfs/dbraw/zinc/10/26/72/588102672.db2.gz YUNNIRJAAJVTDK-ZDUSSCGKSA-N 2 1 227.396 1.709 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCCCC[NH3+] ZINC000843362306 588104470 /nfs/dbraw/zinc/10/44/70/588104470.db2.gz CMDHCJPXVIAIHC-OLZOCXBDSA-N 3 1 227.396 1.565 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCCCC[NH3+] ZINC000843362308 588104513 /nfs/dbraw/zinc/10/45/13/588104513.db2.gz CMDHCJPXVIAIHC-STQMWFEESA-N 3 1 227.396 1.565 20 0 BDADMP C[C@H]1NCC[N@@H+](CCCCCCC[NH3+])[C@H]1C ZINC000843377345 588105188 /nfs/dbraw/zinc/10/51/88/588105188.db2.gz OSXIPHSCSFIINF-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H]1[NH2+]CCN(CCCCCCC[NH3+])[C@H]1C ZINC000843377345 588105189 /nfs/dbraw/zinc/10/51/89/588105189.db2.gz OSXIPHSCSFIINF-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378371 588105507 /nfs/dbraw/zinc/10/55/07/588105507.db2.gz SGMHQGCQOXWDDT-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378372 588105727 /nfs/dbraw/zinc/10/57/27/588105727.db2.gz SGMHQGCQOXWDDT-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843382443 588105964 /nfs/dbraw/zinc/10/59/64/588105964.db2.gz QCHLXYANZSISFY-CYBMUJFWSA-N 2 1 242.363 1.391 20 0 BDADMP COC[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](C)O1 ZINC000846221377 588261013 /nfs/dbraw/zinc/26/10/13/588261013.db2.gz XYJKQAHLMLNVLG-OLZOCXBDSA-N 2 1 244.379 1.241 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@H]1C[C@@H]1c1ccccc1 ZINC000846221341 588261097 /nfs/dbraw/zinc/26/10/97/588261097.db2.gz BZTNIGZXNAUHPD-KGLIPLIRSA-N 2 1 234.343 1.450 20 0 BDADMP C[C@@H]1[C@H](C)NCC[N@H+]1CCCCCC[NH3+] ZINC000846220452 588261235 /nfs/dbraw/zinc/26/12/35/588261235.db2.gz PYIVQZVEUCTEKP-NWDGAFQWSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]CCN1CCCCCC[NH3+] ZINC000846220452 588261236 /nfs/dbraw/zinc/26/12/36/588261236.db2.gz PYIVQZVEUCTEKP-NWDGAFQWSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCCC[NH3+] ZINC000846706855 588283917 /nfs/dbraw/zinc/28/39/17/588283917.db2.gz BPGKIPRMXVCUQM-OLZOCXBDSA-N 3 1 227.396 1.707 20 0 BDADMP CCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987009 588425622 /nfs/dbraw/zinc/42/56/22/588425622.db2.gz DOKVTPDBIKHSSY-VXGBXAGGSA-N 2 1 240.395 1.773 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NC1CCC1 ZINC000848987724 588426180 /nfs/dbraw/zinc/42/61/80/588426180.db2.gz VMDGULMDNCGFHG-LLVKDONJSA-N 2 1 238.379 1.527 20 0 BDADMP CC(C)CCNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987532 588426245 /nfs/dbraw/zinc/42/62/45/588426245.db2.gz DFQULBLWQIXOHW-UHFFFAOYSA-N 2 1 242.411 1.877 20 0 BDADMP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996267 588428951 /nfs/dbraw/zinc/42/89/51/588428951.db2.gz NJRPERSDLNYSKQ-LBPRGKRZSA-N 2 1 240.395 1.583 20 0 BDADMP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[NH+](C)C ZINC000848996596 588429290 /nfs/dbraw/zinc/42/92/90/588429290.db2.gz JDCZZLZXODNSNV-LLVKDONJSA-N 2 1 240.395 1.773 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000849001603 588430820 /nfs/dbraw/zinc/43/08/20/588430820.db2.gz HRIJNOJJMROISW-UWVGGRQHSA-N 2 1 226.368 1.382 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849024275 588439745 /nfs/dbraw/zinc/43/97/45/588439745.db2.gz TUMXVSFVTZAIHJ-LLVKDONJSA-N 2 1 240.395 1.629 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CC ZINC000849028045 588441286 /nfs/dbraw/zinc/44/12/86/588441286.db2.gz YYLJZIIASKMSLO-RYUDHWBXSA-N 2 1 240.395 1.773 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N(CC)CC ZINC000849027885 588441624 /nfs/dbraw/zinc/44/16/24/588441624.db2.gz OIFZUMQJBGQCKH-LBPRGKRZSA-N 2 1 240.395 1.727 20 0 BDADMP Cc1[nH+]ccn1CCCCNC1=[NH+]CCCCN1 ZINC000849217122 588462785 /nfs/dbraw/zinc/46/27/85/588462785.db2.gz DZBNFACUMMAQRJ-UHFFFAOYSA-N 2 1 249.362 1.301 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc3c[nH]nc3c2)CCCC1 ZINC000849350020 588475036 /nfs/dbraw/zinc/47/50/36/588475036.db2.gz NGJWXBBGYWVZKL-UHFFFAOYSA-N 2 1 244.342 1.924 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000851771947 588625749 /nfs/dbraw/zinc/62/57/49/588625749.db2.gz SKPKXJSDRRZANG-VXGBXAGGSA-N 2 1 242.363 1.021 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000851771947 588625750 /nfs/dbraw/zinc/62/57/50/588625750.db2.gz SKPKXJSDRRZANG-VXGBXAGGSA-N 2 1 242.363 1.021 20 0 BDADMP C[N@@H+](CCOC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000851782027 588628069 /nfs/dbraw/zinc/62/80/69/588628069.db2.gz KAFAEKPNYTUPKV-SNVBAGLBSA-N 2 1 236.306 1.499 20 0 BDADMP C[NH+](CCOC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000851782027 588628070 /nfs/dbraw/zinc/62/80/70/588628070.db2.gz KAFAEKPNYTUPKV-SNVBAGLBSA-N 2 1 236.306 1.499 20 0 BDADMP C[NH+](CCOC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000851782027 588628071 /nfs/dbraw/zinc/62/80/71/588628071.db2.gz KAFAEKPNYTUPKV-SNVBAGLBSA-N 2 1 236.306 1.499 20 0 BDADMP COC(CC[N@@H+](C)CCC[NH+]1CCCC1)OC ZINC000852008440 588654860 /nfs/dbraw/zinc/65/48/60/588654860.db2.gz VLECKEAFDIAWCT-UHFFFAOYSA-N 2 1 244.379 1.413 20 0 BDADMP CCCCOC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110648708 588687363 /nfs/dbraw/zinc/68/73/63/588687363.db2.gz XSSYORTZKOKSSQ-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nc(C)n1 ZINC000852743668 588698241 /nfs/dbraw/zinc/69/82/41/588698241.db2.gz HJEDGODZPWLFAR-LBPRGKRZSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)nc(C)n1 ZINC000852743668 588698242 /nfs/dbraw/zinc/69/82/42/588698242.db2.gz HJEDGODZPWLFAR-LBPRGKRZSA-N 2 1 234.347 1.264 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000852750175 588699949 /nfs/dbraw/zinc/69/99/49/588699949.db2.gz XJDCTDSLOYMHNQ-WDEREUQCSA-N 2 1 248.317 1.547 20 0 BDADMP C[C@@]12COC[C@@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000852758926 588700770 /nfs/dbraw/zinc/70/07/70/588700770.db2.gz HKJBMLRHOZTAMP-UONOGXRCSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@]1(C(N)=O)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852760867 588701050 /nfs/dbraw/zinc/70/10/50/588701050.db2.gz NTACJNXOQCBHGU-CYBMUJFWSA-N 2 1 241.379 1.093 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CCSC1 ZINC000863482378 589291316 /nfs/dbraw/zinc/29/13/16/589291316.db2.gz GYHQSFAOTTZKMI-ZJUUUORDSA-N 2 1 212.362 1.366 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)C12CCC2 ZINC000864055653 589336602 /nfs/dbraw/zinc/33/66/02/589336602.db2.gz VEIPYSCCMRDTJV-NEPJUHHUSA-N 2 1 235.306 1.580 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864451293 589364599 /nfs/dbraw/zinc/36/45/99/589364599.db2.gz AYIKYSNDODPJNG-KOLCDFICSA-N 2 1 235.335 1.104 20 0 BDADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000864457601 589368093 /nfs/dbraw/zinc/36/80/93/589368093.db2.gz FJVCDPYYTPJMNF-ZYHUDNBSSA-N 2 1 238.379 1.383 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864458615 589368327 /nfs/dbraw/zinc/36/83/27/589368327.db2.gz OYADDJQYEUKRKY-TUAOUCFPSA-N 2 1 238.379 1.383 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864458614 589368521 /nfs/dbraw/zinc/36/85/21/589368521.db2.gz OYADDJQYEUKRKY-QJPTWQEYSA-N 2 1 238.379 1.383 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864459037 589368563 /nfs/dbraw/zinc/36/85/63/589368563.db2.gz YQKKUTWCVPOOCY-QWRGUYRKSA-N 2 1 226.368 1.241 20 0 BDADMP C[N@@H+]1CC=C(CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864462639 589369743 /nfs/dbraw/zinc/36/97/43/589369743.db2.gz OFAQTBSUPLOHQD-UHFFFAOYSA-N 2 1 236.363 1.162 20 0 BDADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000864465677 589371099 /nfs/dbraw/zinc/37/10/99/589371099.db2.gz BLBTWITYUYJNLT-WDEREUQCSA-N 2 1 238.379 1.383 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](C3CCCC3)CC[C@@H]21 ZINC000866585427 589501647 /nfs/dbraw/zinc/50/16/47/589501647.db2.gz XYWIALXVWAQLIS-AAEUAGOBSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](C3CCCC3)CC[C@@H]21 ZINC000866585427 589501649 /nfs/dbraw/zinc/50/16/49/589501649.db2.gz XYWIALXVWAQLIS-AAEUAGOBSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000866585427 589501651 /nfs/dbraw/zinc/50/16/51/589501651.db2.gz XYWIALXVWAQLIS-AAEUAGOBSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000866585427 589501653 /nfs/dbraw/zinc/50/16/53/589501653.db2.gz XYWIALXVWAQLIS-AAEUAGOBSA-N 2 1 208.349 1.955 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000866660014 589508163 /nfs/dbraw/zinc/50/81/63/589508163.db2.gz AOTRWORYKVBFQC-IALDZJHCSA-N 2 1 226.364 1.613 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCC1CC1)C2 ZINC000866668686 589509991 /nfs/dbraw/zinc/50/99/91/589509991.db2.gz ICXIQMNESWLGRH-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP CCCCOC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866671921 589510695 /nfs/dbraw/zinc/51/06/95/589510695.db2.gz CLGIQVQUSCJFDX-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP N[C@H]1CCCCC[N@@H+](CCCCCC[NH3+])C1 ZINC000866671044 589510810 /nfs/dbraw/zinc/51/08/10/589510810.db2.gz JKNHGWLNUFDUGW-ZDUSSCGKSA-N 2 1 227.396 1.709 20 0 BDADMP [NH3+]CCCCCCN1CCCCC[C@H]([NH3+])C1 ZINC000866671044 589510811 /nfs/dbraw/zinc/51/08/11/589510811.db2.gz JKNHGWLNUFDUGW-ZDUSSCGKSA-N 2 1 227.396 1.709 20 0 BDADMP CCO[C@H](C[N@H+]1CC[NH2+]CCC1(C)C)C1CC1 ZINC000866697395 589512701 /nfs/dbraw/zinc/51/27/01/589512701.db2.gz OLRZJCXPYVRLME-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866703735 589513295 /nfs/dbraw/zinc/51/32/95/589513295.db2.gz LFCVMIWKKPDVMS-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866703733 589513594 /nfs/dbraw/zinc/51/35/94/589513594.db2.gz LFCVMIWKKPDVMS-FRRDWIJNSA-N 2 1 240.416 1.671 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866717331 589514775 /nfs/dbraw/zinc/51/47/75/589514775.db2.gz BSALKOCBYVYZDK-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866717331 589514776 /nfs/dbraw/zinc/51/47/76/589514776.db2.gz BSALKOCBYVYZDK-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000866704827 589514835 /nfs/dbraw/zinc/51/48/35/589514835.db2.gz YDWNLQJVDPRDTA-BFHYXJOUSA-N 2 1 237.391 1.012 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866722788 589515316 /nfs/dbraw/zinc/51/53/16/589515316.db2.gz DQILOAFYUUOSMF-QNWHQSFQSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866722788 589515318 /nfs/dbraw/zinc/51/53/18/589515318.db2.gz DQILOAFYUUOSMF-QNWHQSFQSA-N 2 1 224.348 1.238 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723670 589515582 /nfs/dbraw/zinc/51/55/82/589515582.db2.gz ITBGFDRIPVFYSO-NDKCEZKHSA-N 2 1 220.360 1.859 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723670 589515583 /nfs/dbraw/zinc/51/55/83/589515583.db2.gz ITBGFDRIPVFYSO-NDKCEZKHSA-N 2 1 220.360 1.859 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725302 589516217 /nfs/dbraw/zinc/51/62/17/589516217.db2.gz RWQXDGSBXRVNSL-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725302 589516218 /nfs/dbraw/zinc/51/62/18/589516218.db2.gz RWQXDGSBXRVNSL-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000866727579 589516896 /nfs/dbraw/zinc/51/68/96/589516896.db2.gz OWXGKDHIQNNKDY-PBNFFQIGSA-N 2 1 238.375 1.221 20 0 BDADMP CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785216 589817906 /nfs/dbraw/zinc/81/79/06/589817906.db2.gz GCPVPEIAHIIRHW-PBINXNQUSA-N 2 1 211.309 1.378 20 0 BDADMP CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785216 589817909 /nfs/dbraw/zinc/81/79/09/589817909.db2.gz GCPVPEIAHIIRHW-PBINXNQUSA-N 2 1 211.309 1.378 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CC1(C)C ZINC000872127493 589877239 /nfs/dbraw/zinc/87/72/39/589877239.db2.gz VDNAIYLQWCFVNO-IJLUTSLNSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000872141826 589882270 /nfs/dbraw/zinc/88/22/70/589882270.db2.gz VCEZDLJYGIYAKF-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872144629 589883785 /nfs/dbraw/zinc/88/37/85/589883785.db2.gz IBNBVIFDDNVNRW-JHJVBQTASA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872145581 589884253 /nfs/dbraw/zinc/88/42/53/589884253.db2.gz UTNRMSAUQWWAJN-UPJWGTAASA-N 2 1 238.375 1.472 20 0 BDADMP Cc1conc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000872145575 589884479 /nfs/dbraw/zinc/88/44/79/589884479.db2.gz UDNGSBQOGIRBLT-GFCCVEGCSA-N 2 1 249.358 1.947 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000872146142 589884628 /nfs/dbraw/zinc/88/46/28/589884628.db2.gz GSHQRXRVIZVESI-ZDUSSCGKSA-N 2 1 238.306 1.628 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212162 589996682 /nfs/dbraw/zinc/99/66/82/589996682.db2.gz IWRPARWEMQEEAI-JTQLQIEISA-N 3 1 239.388 1.221 20 0 BDADMP COCCC1([NH2+]Cc2cccnc2)CC[NH2+]CC1 ZINC000873225242 590001128 /nfs/dbraw/zinc/00/11/28/590001128.db2.gz WANORGHGXXFCGB-UHFFFAOYSA-N 2 1 249.358 1.330 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000873236013 590004814 /nfs/dbraw/zinc/00/48/14/590004814.db2.gz SRVICZSRAKKGPX-WOPDTQHZSA-N 2 1 228.405 1.717 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873238229 590005046 /nfs/dbraw/zinc/00/50/46/590005046.db2.gz YLDBGBRVSJFRJR-OLZOCXBDSA-N 2 1 240.391 1.779 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239222 590005294 /nfs/dbraw/zinc/00/52/94/590005294.db2.gz QBAMPSWTXGGZTJ-LNFKQOIKSA-N 2 1 200.301 1.737 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261672 590014374 /nfs/dbraw/zinc/01/43/74/590014374.db2.gz QBXIYMFCFOCSGF-PDWCTOEPSA-N 3 1 237.391 1.105 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267323 590015734 /nfs/dbraw/zinc/01/57/34/590015734.db2.gz BXLVAHGPSYUFJG-NXEZZACHSA-N 2 1 236.363 1.757 20 0 BDADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000873270545 590015992 /nfs/dbraw/zinc/01/59/92/590015992.db2.gz WSBIRQRPRJLIOZ-BZPMIXESSA-N 2 1 239.407 1.495 20 0 BDADMP CC[N@H+](CC[NH2+]CCC[C@@H]1CCO1)C(C)C ZINC000876995955 590266845 /nfs/dbraw/zinc/26/68/45/590266845.db2.gz LALJATKTBFSDBV-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP CC[N@@H+](CC[NH2+]CCC[C@@H]1CCO1)C(C)C ZINC000876995955 590266847 /nfs/dbraw/zinc/26/68/47/590266847.db2.gz LALJATKTBFSDBV-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[NH+]1CCC([NH2+]CCC[S@@](C)=O)CC1 ZINC000126614915 590376449 /nfs/dbraw/zinc/37/64/49/590376449.db2.gz ZZMIDOXYAGNVLI-INIZCTEOSA-N 2 1 246.420 1.219 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccncc1 ZINC000126713473 590421420 /nfs/dbraw/zinc/42/14/20/590421420.db2.gz AWEFBCCWZRHCNQ-ZYHUDNBSSA-N 2 1 205.305 1.251 20 0 BDADMP CC(C)(O)[C@@H]1CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000877837410 590432305 /nfs/dbraw/zinc/43/23/05/590432305.db2.gz ZXQPTPDXTVBBPC-LLVKDONJSA-N 2 1 249.358 1.422 20 0 BDADMP CSCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879571496 590810983 /nfs/dbraw/zinc/81/09/83/590810983.db2.gz AQWYGJQKVLUGSV-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879571496 590810984 /nfs/dbraw/zinc/81/09/84/590810984.db2.gz AQWYGJQKVLUGSV-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571496 590810986 /nfs/dbraw/zinc/81/09/86/590810986.db2.gz AQWYGJQKVLUGSV-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571496 590810987 /nfs/dbraw/zinc/81/09/87/590810987.db2.gz AQWYGJQKVLUGSV-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP COCCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573783 590814651 /nfs/dbraw/zinc/81/46/51/590814651.db2.gz RKOMFAXVWLNZRK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573783 590814655 /nfs/dbraw/zinc/81/46/55/590814655.db2.gz RKOMFAXVWLNZRK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573783 590814658 /nfs/dbraw/zinc/81/46/58/590814658.db2.gz RKOMFAXVWLNZRK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573783 590814660 /nfs/dbraw/zinc/81/46/60/590814660.db2.gz RKOMFAXVWLNZRK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578011 590815269 /nfs/dbraw/zinc/81/52/69/590815269.db2.gz AEAJIKGZVMSZOL-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578011 590815274 /nfs/dbraw/zinc/81/52/74/590815274.db2.gz AEAJIKGZVMSZOL-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578011 590815277 /nfs/dbraw/zinc/81/52/77/590815277.db2.gz AEAJIKGZVMSZOL-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCO1 ZINC000879578690 590816121 /nfs/dbraw/zinc/81/61/21/590816121.db2.gz GMMFORGDTAEWGF-SYQHCUMBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCO1 ZINC000879578690 590816124 /nfs/dbraw/zinc/81/61/24/590816124.db2.gz GMMFORGDTAEWGF-SYQHCUMBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCO1 ZINC000879578690 590816125 /nfs/dbraw/zinc/81/61/25/590816125.db2.gz GMMFORGDTAEWGF-SYQHCUMBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCO1 ZINC000879578690 590816128 /nfs/dbraw/zinc/81/61/28/590816128.db2.gz GMMFORGDTAEWGF-SYQHCUMBSA-N 2 1 238.375 1.580 20 0 BDADMP COCC1([N@@H+](C)CC[C@@H]2CCC[NH+]2C)CCC1 ZINC000880186095 590954525 /nfs/dbraw/zinc/95/45/25/590954525.db2.gz PREUDFQMEAJOSP-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP COCC1([NH+](C)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000880186095 590954528 /nfs/dbraw/zinc/95/45/28/590954528.db2.gz PREUDFQMEAJOSP-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP COCC1([NH+](C)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC000880186095 590954531 /nfs/dbraw/zinc/95/45/31/590954531.db2.gz PREUDFQMEAJOSP-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259376 590978332 /nfs/dbraw/zinc/97/83/32/590978332.db2.gz RHWGTANXJFBVNI-CHWSQXEVSA-N 2 1 249.358 1.363 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260026 590980061 /nfs/dbraw/zinc/98/00/61/590980061.db2.gz MJQUFRYTHVBLOG-OLZOCXBDSA-N 2 1 249.358 1.627 20 0 BDADMP C[C@@H]1C[N@@H+](CCCF)CCN1c1cc[nH+]cc1 ZINC000880260909 590980074 /nfs/dbraw/zinc/98/00/74/590980074.db2.gz GPGHQLMJFVQXIZ-GFCCVEGCSA-N 2 1 237.322 1.952 20 0 BDADMP CC[N@@H+](CCNc1ccncc1F)C(C)C ZINC000881905151 591277316 /nfs/dbraw/zinc/27/73/16/591277316.db2.gz OASVOYFPXCDNHZ-UHFFFAOYSA-N 2 1 225.311 1.785 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H](CO)C1CC1 ZINC000883002681 591505265 /nfs/dbraw/zinc/50/52/65/591505265.db2.gz MCURLWQGXUYOKE-GFCCVEGCSA-N 2 1 235.331 1.008 20 0 BDADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](C)O)CC1 ZINC000886715685 592308492 /nfs/dbraw/zinc/30/84/92/592308492.db2.gz AZPZVDSKCDUHDV-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000220841180 592364815 /nfs/dbraw/zinc/36/48/15/592364815.db2.gz JJGLXWWJBRMXRZ-TYUFSLCMSA-N 2 1 224.348 1.380 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000220841180 592364819 /nfs/dbraw/zinc/36/48/19/592364819.db2.gz JJGLXWWJBRMXRZ-TYUFSLCMSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000221734852 592445155 /nfs/dbraw/zinc/44/51/55/592445155.db2.gz MMILFXRAWYPNRF-AEGPPILISA-N 2 1 248.370 1.792 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133077 592450103 /nfs/dbraw/zinc/45/01/03/592450103.db2.gz SSEAZDWVQVJRAU-TZMCWYRMSA-N 2 1 249.358 1.363 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NCC(F)F ZINC000887348451 592484677 /nfs/dbraw/zinc/48/46/77/592484677.db2.gz JGPZMWPDSIBEFD-UHFFFAOYSA-N 2 1 236.310 1.096 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCC1CC1 ZINC000887354331 592487089 /nfs/dbraw/zinc/48/70/89/592487089.db2.gz ZPJQFMLSCANJOB-UHFFFAOYSA-N 2 1 226.368 1.242 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300214502 592504744 /nfs/dbraw/zinc/50/47/44/592504744.db2.gz JTEKQHHQMKMMCJ-AGIUHOORSA-N 2 1 228.380 1.466 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCCCCO)C[C@H]21 ZINC000300417763 592512890 /nfs/dbraw/zinc/51/28/90/592512890.db2.gz NAGTYEZEGSWHHS-MGPQQGTHSA-N 2 1 240.391 1.598 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@H]1CCOC1 ZINC000300683081 592516910 /nfs/dbraw/zinc/51/69/10/592516910.db2.gz OJHNSXKJBLEUAU-FUDCBSFHSA-N 2 1 238.375 1.757 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)C[C@H](C)[NH3+])c1C ZINC000104315529 592610802 /nfs/dbraw/zinc/61/08/02/592610802.db2.gz SBHPGLMZQFNVEQ-JTQLQIEISA-N 2 1 237.347 1.486 20 0 BDADMP [NH3+]C[C@@H]1CC[N@H+](CCSC(F)(F)F)C1 ZINC000123612073 592714595 /nfs/dbraw/zinc/71/45/95/592714595.db2.gz MZZUFFLDNPXESL-ZETCQYMHSA-N 2 1 228.283 1.520 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCSC(F)(F)F)C1 ZINC000123612073 592714598 /nfs/dbraw/zinc/71/45/98/592714598.db2.gz MZZUFFLDNPXESL-ZETCQYMHSA-N 2 1 228.283 1.520 20 0 BDADMP C[C@H]([NH3+])[C@H](NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703434 634382470 /nfs/dbraw/zinc/38/24/70/634382470.db2.gz USESVCMEQZMAAI-JSGCOSHPSA-N 2 1 247.386 1.794 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703434 634382478 /nfs/dbraw/zinc/38/24/78/634382478.db2.gz USESVCMEQZMAAI-JSGCOSHPSA-N 3 1 247.386 1.794 20 0 BDADMP CCCC[N@H+](CCO)C[C@@H]([NH3+])CC(F)(F)F ZINC001577454784 993668222 /nfs/dbraw/zinc/66/82/22/993668222.db2.gz OXKAQRZUFLDCEF-VIFPVBQESA-N 2 1 242.285 1.361 20 0 BDADMP CCCC[N@@H+](CCO)C[C@@H]([NH3+])CC(F)(F)F ZINC001577454784 993668232 /nfs/dbraw/zinc/66/82/32/993668232.db2.gz OXKAQRZUFLDCEF-VIFPVBQESA-N 2 1 242.285 1.361 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C12CCC2 ZINC000925705141 634386417 /nfs/dbraw/zinc/38/64/17/634386417.db2.gz HYQXUUQFIJNNKL-JHJVBQTASA-N 2 1 237.391 1.378 20 0 BDADMP C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000925708830 634404485 /nfs/dbraw/zinc/40/44/85/634404485.db2.gz NZPFWOXOEATGIV-OUCADQQQSA-N 2 1 235.375 1.792 20 0 BDADMP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H](C)N ZINC000925708830 634404490 /nfs/dbraw/zinc/40/44/90/634404490.db2.gz NZPFWOXOEATGIV-OUCADQQQSA-N 2 1 235.375 1.792 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925713432 634416983 /nfs/dbraw/zinc/41/69/83/634416983.db2.gz SKAHVOLDGPBYEJ-CHWFTXMASA-N 2 1 210.321 1.036 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438287 634455291 /nfs/dbraw/zinc/45/52/91/634455291.db2.gz WKNMRRNLRIUTOJ-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438287 634455294 /nfs/dbraw/zinc/45/52/94/634455294.db2.gz WKNMRRNLRIUTOJ-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP COC(C)(C)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438287 634455298 /nfs/dbraw/zinc/45/52/98/634455298.db2.gz WKNMRRNLRIUTOJ-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000257708506 634477068 /nfs/dbraw/zinc/47/70/68/634477068.db2.gz NEAXZHIDEMPHGG-NEPJUHHUSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](N)C12CCC2)C1CC[NH2+]CC1 ZINC000925728254 634527745 /nfs/dbraw/zinc/52/77/45/634527745.db2.gz KFAALEJMKGBONB-RTXFEEFZSA-N 2 1 237.391 1.234 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000423290733 634576784 /nfs/dbraw/zinc/57/67/84/634576784.db2.gz FFOHTOQEIKLWEA-NSHDSACASA-N 2 1 236.363 1.894 20 0 BDADMP c1[nH]nc2c1[C@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423573768 634613218 /nfs/dbraw/zinc/61/32/18/634613218.db2.gz ZNFSDFDFYSEGGG-GFCCVEGCSA-N 2 1 234.347 1.519 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832892 635475908 /nfs/dbraw/zinc/47/59/08/635475908.db2.gz QPYOXJZUVMIMSF-QEYWKRMJSA-N 2 1 236.281 1.772 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000925877948 635602511 /nfs/dbraw/zinc/60/25/11/635602511.db2.gz ZNJQHOXJUUXDNW-MQYQWHSLSA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000925877948 635602517 /nfs/dbraw/zinc/60/25/17/635602517.db2.gz ZNJQHOXJUUXDNW-MQYQWHSLSA-N 2 1 239.407 1.434 20 0 BDADMP CCC(C)(C)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000308473154 631355299 /nfs/dbraw/zinc/35/52/99/631355299.db2.gz JLBLKZYBNNMEEU-QMMMGPOBSA-N 2 1 208.296 1.995 20 0 BDADMP CC[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000308508301 631415424 /nfs/dbraw/zinc/41/54/24/631415424.db2.gz QPIJOYDJERLSTM-IUCAKERBSA-N 2 1 206.280 1.843 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000308508301 631415428 /nfs/dbraw/zinc/41/54/28/631415428.db2.gz QPIJOYDJERLSTM-IUCAKERBSA-N 2 1 206.280 1.843 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933733477 631494514 /nfs/dbraw/zinc/49/45/14/631494514.db2.gz KCYKCYPYPSDOQD-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933733477 631494523 /nfs/dbraw/zinc/49/45/23/631494523.db2.gz KCYKCYPYPSDOQD-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1 ZINC000933733477 631494529 /nfs/dbraw/zinc/49/45/29/631494529.db2.gz KCYKCYPYPSDOQD-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000933733477 631494533 /nfs/dbraw/zinc/49/45/33/631494533.db2.gz KCYKCYPYPSDOQD-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP Cc1cccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000091672550 631542279 /nfs/dbraw/zinc/54/22/79/631542279.db2.gz SSXWEFWJQSZLKR-CHWSQXEVSA-N 2 1 247.342 1.665 20 0 BDADMP Cc1cccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000091672550 631542284 /nfs/dbraw/zinc/54/22/84/631542284.db2.gz SSXWEFWJQSZLKR-CHWSQXEVSA-N 2 1 247.342 1.665 20 0 BDADMP C[N@@H+](Cc1cnns1)C1CCC([NH3+])CC1 ZINC000308998556 631785451 /nfs/dbraw/zinc/78/54/51/631785451.db2.gz QOXVZNYGVDFOHL-UHFFFAOYSA-N 2 1 226.349 1.240 20 0 BDADMP CCCC[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000309060183 631835276 /nfs/dbraw/zinc/83/52/76/631835276.db2.gz XMKYKRNPPYSMSO-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP CCCC[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000309060183 631835278 /nfs/dbraw/zinc/83/52/78/631835278.db2.gz XMKYKRNPPYSMSO-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP CSC1(C[NH2+][C@H]2CC[NH2+]C2)CCC1 ZINC000235121431 631985111 /nfs/dbraw/zinc/98/51/11/631985111.db2.gz JYSROLKZMICHCI-VIFPVBQESA-N 2 1 200.351 1.224 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCN(C)C2)CC[NH2+]1 ZINC000235365410 632027204 /nfs/dbraw/zinc/02/72/04/632027204.db2.gz MACGMSFOEGFVPY-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CC[NH2+]1 ZINC000235365410 632027183 /nfs/dbraw/zinc/02/71/83/632027183.db2.gz MACGMSFOEGFVPY-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000235365410 632027186 /nfs/dbraw/zinc/02/71/86/632027186.db2.gz MACGMSFOEGFVPY-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000235365410 632027190 /nfs/dbraw/zinc/02/71/90/632027190.db2.gz MACGMSFOEGFVPY-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCN(C)C2)CC[NH2+]1 ZINC000235365410 632027198 /nfs/dbraw/zinc/02/71/98/632027198.db2.gz MACGMSFOEGFVPY-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@H]([NH3+])CC(F)F ZINC000309412774 632050152 /nfs/dbraw/zinc/05/01/52/632050152.db2.gz JBEOYSGOHDWIBI-SNVBAGLBSA-N 2 1 238.322 1.573 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250222955 632538700 /nfs/dbraw/zinc/53/87/00/632538700.db2.gz DZVFFIFHZLQMPS-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250222955 632538704 /nfs/dbraw/zinc/53/87/04/632538704.db2.gz DZVFFIFHZLQMPS-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250222955 632538708 /nfs/dbraw/zinc/53/87/08/632538708.db2.gz DZVFFIFHZLQMPS-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250354583 632543306 /nfs/dbraw/zinc/54/33/06/632543306.db2.gz RXUXWUGHCRYSTH-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250354583 632543315 /nfs/dbraw/zinc/54/33/15/632543315.db2.gz RXUXWUGHCRYSTH-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983434 632690013 /nfs/dbraw/zinc/69/00/13/632690013.db2.gz YINUTVVAGUNNHG-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000310459131 632744344 /nfs/dbraw/zinc/74/43/44/632744344.db2.gz AKIGUWWJCCVETR-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000310459131 632744347 /nfs/dbraw/zinc/74/43/47/632744347.db2.gz AKIGUWWJCCVETR-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cccnc21 ZINC000310618186 632807149 /nfs/dbraw/zinc/80/71/49/632807149.db2.gz FWUFFLBGONPRNW-ZDUSSCGKSA-N 2 1 242.326 1.864 20 0 BDADMP CC(C)(C)C(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309384625 633001552 /nfs/dbraw/zinc/00/15/52/633001552.db2.gz SLTNJAFGXJJQFR-PHIMTYICSA-N 2 1 224.348 1.143 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@H]([NH3+])CC(F)F ZINC000309412770 633033669 /nfs/dbraw/zinc/03/36/69/633033669.db2.gz JBEOYSGOHDWIBI-JTQLQIEISA-N 2 1 238.322 1.573 20 0 BDADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000167427193 633129522 /nfs/dbraw/zinc/12/95/22/633129522.db2.gz BRQJGTPOIORFOE-WDEREUQCSA-N 2 1 248.436 1.419 20 0 BDADMP C[C@]1(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000062912075 633136967 /nfs/dbraw/zinc/13/69/67/633136967.db2.gz SPGFMMYUAVNIKR-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]1(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000062912075 633136974 /nfs/dbraw/zinc/13/69/74/633136974.db2.gz SPGFMMYUAVNIKR-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC(C)(C)C[NH3+] ZINC000309807273 633761916 /nfs/dbraw/zinc/76/19/16/633761916.db2.gz SMRZHJXQPCYDOG-MNOVXSKESA-N 3 1 213.369 1.031 20 0 BDADMP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC(C)(C)CN ZINC000309807273 633761922 /nfs/dbraw/zinc/76/19/22/633761922.db2.gz SMRZHJXQPCYDOG-MNOVXSKESA-N 2 1 213.369 1.031 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC(C)(C)CN ZINC000309807273 633761927 /nfs/dbraw/zinc/76/19/27/633761927.db2.gz SMRZHJXQPCYDOG-MNOVXSKESA-N 2 1 213.369 1.031 20 0 BDADMP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1CCCCO1 ZINC000328563296 633776173 /nfs/dbraw/zinc/77/61/73/633776173.db2.gz JBQVDFFLZHYYCG-BSCCGWMCSA-N 2 1 236.359 1.142 20 0 BDADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000309271448 633879222 /nfs/dbraw/zinc/87/92/22/633879222.db2.gz DDTNKMUNOUFPNV-WVMKXHBISA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000925525597 633904628 /nfs/dbraw/zinc/90/46/28/633904628.db2.gz DHAZXVWJPWLRFE-OLZOCXBDSA-N 2 1 240.391 1.659 20 0 BDADMP CC(C)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000309983157 634026840 /nfs/dbraw/zinc/02/68/40/634026840.db2.gz IYKZIBWEIPPQSM-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000309983157 634026843 /nfs/dbraw/zinc/02/68/43/634026843.db2.gz IYKZIBWEIPPQSM-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000309955503 634050625 /nfs/dbraw/zinc/05/06/25/634050625.db2.gz IBIHXAOATKLVJS-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983431 634058640 /nfs/dbraw/zinc/05/86/40/634058640.db2.gz YINUTVVAGUNNHG-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CS[C@@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925585669 634094396 /nfs/dbraw/zinc/09/43/96/634094396.db2.gz JGPNFHJXJJZRGP-IUCAKERBSA-N 2 1 202.367 1.468 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000310040680 634103096 /nfs/dbraw/zinc/10/30/96/634103096.db2.gz XWXJDVQXQXLEHA-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000310040680 634103099 /nfs/dbraw/zinc/10/30/99/634103099.db2.gz XWXJDVQXQXLEHA-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925614660 634156292 /nfs/dbraw/zinc/15/62/92/634156292.db2.gz ZQYFRIDINLFBTN-PWSUYJOCSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)(O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925644455 634196325 /nfs/dbraw/zinc/19/63/25/634196325.db2.gz NIHYMSYQBXJLGG-JTQLQIEISA-N 2 1 212.337 1.022 20 0 BDADMP OC1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925664649 634237972 /nfs/dbraw/zinc/23/79/72/634237972.db2.gz FYAURZYATYCLPM-LLVKDONJSA-N 2 1 224.348 1.166 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925682271 634282219 /nfs/dbraw/zinc/28/22/19/634282219.db2.gz VUJUTCVPZCQTLR-MNOVXSKESA-N 2 1 226.364 1.410 20 0 BDADMP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310087663 634292063 /nfs/dbraw/zinc/29/20/63/634292063.db2.gz HRANCJWKCRQBML-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310087663 634292066 /nfs/dbraw/zinc/29/20/66/634292066.db2.gz HRANCJWKCRQBML-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925689257 634306424 /nfs/dbraw/zinc/30/64/24/634306424.db2.gz CBYFVSKWQPKCED-GRYCIOLGSA-N 2 1 224.348 1.428 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925698135 634362585 /nfs/dbraw/zinc/36/25/85/634362585.db2.gz CFIAJVIQEIOQRL-FIQHERPVSA-N 2 1 212.337 1.128 20 0 BDADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000925700366 634368332 /nfs/dbraw/zinc/36/83/32/634368332.db2.gz SIYGGLDMNWIWJW-SYQHCUMBSA-N 2 1 238.375 1.533 20 0 BDADMP C[N@@H+](CCc1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC000258891858 635220826 /nfs/dbraw/zinc/22/08/26/635220826.db2.gz LKMITLIQSDTLND-GFCCVEGCSA-N 2 1 236.334 1.910 20 0 BDADMP CN(C[C@H]1CCC[NH2+]1)C[C@H]1CCC[N@@H+](C)C1 ZINC000258946365 635227791 /nfs/dbraw/zinc/22/77/91/635227791.db2.gz QXHRIGNZUXSLOZ-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CSc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000259058705 635235878 /nfs/dbraw/zinc/23/58/78/635235878.db2.gz KTRDJOMZPHVGSK-UHFFFAOYSA-N 2 1 222.357 1.989 20 0 BDADMP Cc1ccc(C[NH2+]CC2([NH3+])CC2)cc1C ZINC000259198217 635248913 /nfs/dbraw/zinc/24/89/13/635248913.db2.gz WJXIGXJXZJRUFZ-UHFFFAOYSA-N 2 1 204.317 1.884 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000227497906 635450335 /nfs/dbraw/zinc/45/03/35/635450335.db2.gz YMNBTYAMECPSPR-VHSXEESVSA-N 2 1 235.335 1.262 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000230313953 635484564 /nfs/dbraw/zinc/48/45/64/635484564.db2.gz UJEBMIZBUIFVCS-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000310386218 635820875 /nfs/dbraw/zinc/82/08/75/635820875.db2.gz HTYHCNKQZSOORC-XJFOESAGSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000310386218 635820883 /nfs/dbraw/zinc/82/08/83/635820883.db2.gz HTYHCNKQZSOORC-XJFOESAGSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000310386218 635820885 /nfs/dbraw/zinc/82/08/85/635820885.db2.gz HTYHCNKQZSOORC-XJFOESAGSA-N 2 1 238.375 1.173 20 0 BDADMP C[C@@H](CCN(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243626 636242766 /nfs/dbraw/zinc/24/27/66/636242766.db2.gz LFLLKFBJKAJPRX-LBPRGKRZSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925145724 636297982 /nfs/dbraw/zinc/29/79/82/636297982.db2.gz YLAZZBLNTNRDKJ-BJJPWKGXSA-N 2 1 240.391 1.730 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925145724 636297985 /nfs/dbraw/zinc/29/79/85/636297985.db2.gz YLAZZBLNTNRDKJ-BJJPWKGXSA-N 2 1 240.391 1.730 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)C(C)(C)CO ZINC000925206888 636384608 /nfs/dbraw/zinc/38/46/08/636384608.db2.gz VBZWLZLOIWFMAD-LBPRGKRZSA-N 2 1 230.396 1.715 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)C(C)(C)CO ZINC000925206888 636384611 /nfs/dbraw/zinc/38/46/11/636384611.db2.gz VBZWLZLOIWFMAD-LBPRGKRZSA-N 2 1 230.396 1.715 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC(CCO)C2)CC[N@@H+]1C ZINC000898009942 636850222 /nfs/dbraw/zinc/85/02/22/636850222.db2.gz CBOFZMRQGOKCJF-QCXCNERSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC(CCO)C2)CC[N@H+]1C ZINC000898009942 636850226 /nfs/dbraw/zinc/85/02/26/636850226.db2.gz CBOFZMRQGOKCJF-QCXCNERSSA-N 2 1 226.364 1.220 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCC12CCC2)C[NH+](C)C ZINC000926957432 636970637 /nfs/dbraw/zinc/97/06/37/636970637.db2.gz BNRRXJWALXPORU-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@H](C[NH2+][C@H](CC)[C@H]1C[C@H]1C)C[NH+](C)C ZINC000926961605 636972746 /nfs/dbraw/zinc/97/27/46/636972746.db2.gz PMLUCIREIHWPCI-YIYPIFLZSA-N 2 1 242.407 1.977 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924704276 637012198 /nfs/dbraw/zinc/01/21/98/637012198.db2.gz CLUPMFQMOFNFNM-RYUDHWBXSA-N 2 1 234.347 1.469 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924704276 637012201 /nfs/dbraw/zinc/01/22/01/637012201.db2.gz CLUPMFQMOFNFNM-RYUDHWBXSA-N 2 1 234.347 1.469 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463758 637364968 /nfs/dbraw/zinc/36/49/68/637364968.db2.gz LQYVGQDLGQRNSU-NDBYEHHHSA-N 2 1 224.348 1.082 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000903564543 637370489 /nfs/dbraw/zinc/37/04/89/637370489.db2.gz ZASLJONJAZWRKW-JHJVBQTASA-N 2 1 228.380 1.325 20 0 BDADMP CCCC[N@@H+](CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903718592 637376881 /nfs/dbraw/zinc/37/68/81/637376881.db2.gz PHCXJHKCYSHXAV-ZDUSSCGKSA-N 2 1 228.380 1.471 20 0 BDADMP CC(C)C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725465 637379812 /nfs/dbraw/zinc/37/98/12/637379812.db2.gz ZXSBMSPDODAUJZ-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903788524 637382694 /nfs/dbraw/zinc/38/26/94/637382694.db2.gz NDAUIGLYJGPBAC-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000903789064 637383958 /nfs/dbraw/zinc/38/39/58/637383958.db2.gz UBTUCISRMNKBBZ-MVKMKZAISA-N 2 1 210.365 1.949 20 0 BDADMP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000903867314 637385950 /nfs/dbraw/zinc/38/59/50/637385950.db2.gz PDAIBUKFUDFEHY-KBPBESRZSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000903867314 637385954 /nfs/dbraw/zinc/38/59/54/637385954.db2.gz PDAIBUKFUDFEHY-KBPBESRZSA-N 3 1 237.391 1.204 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903865507 637386703 /nfs/dbraw/zinc/38/67/03/637386703.db2.gz ZLFWPIPOPPLENV-RDBSUJKOSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903865507 637386708 /nfs/dbraw/zinc/38/67/08/637386708.db2.gz ZLFWPIPOPPLENV-RDBSUJKOSA-N 2 1 240.391 1.597 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000904428940 637397543 /nfs/dbraw/zinc/39/75/43/637397543.db2.gz RQAGYPXMKSPNBS-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000904462395 637406864 /nfs/dbraw/zinc/40/68/64/637406864.db2.gz JGRFMKHNOPDKSS-CZXHOFHRSA-N 2 1 220.360 1.868 20 0 BDADMP C[C@]12C[N@@H+](CC34CC(C3)C[NH2+]4)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000904462511 637406970 /nfs/dbraw/zinc/40/69/70/637406970.db2.gz KYBWCVGIJONTRB-ZIXXKZBOSA-N 2 1 244.382 1.882 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2nccc3ccccc32)C1 ZINC000906508075 638179630 /nfs/dbraw/zinc/17/96/30/638179630.db2.gz KAMMDWDPMFIHCZ-HAQNSBGRSA-N 2 1 227.311 1.814 20 0 BDADMP CC(C)c1ncc(C[NH2+]C2CC([NH3+])C2)s1 ZINC000906509589 638181730 /nfs/dbraw/zinc/18/17/30/638181730.db2.gz KUBQVSPWZCEXGB-UHFFFAOYSA-N 2 1 225.361 1.846 20 0 BDADMP CC1(C)Cc2cccc(C[NH2+]C3CC([NH3+])C3)c2O1 ZINC000906509950 638183568 /nfs/dbraw/zinc/18/35/68/638183568.db2.gz FARUWGBLCIKIGG-UHFFFAOYSA-N 2 1 246.354 1.979 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000906516957 638187055 /nfs/dbraw/zinc/18/70/55/638187055.db2.gz AKAWNMMDQKWPEL-IZLXSQMJSA-N 2 1 234.225 1.008 20 0 BDADMP C=C/C=C/CC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000713757426 711455145 /nfs/dbraw/zinc/45/51/45/711455145.db2.gz IPWPDPAWZRYNII-FBVTZJDUSA-N 2 1 224.348 1.414 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)O1 ZINC000149780080 639136012 /nfs/dbraw/zinc/13/60/12/639136012.db2.gz HBLFLKWNDHSNAF-WTIISPKJSA-N 2 1 226.364 1.756 20 0 BDADMP C[NH2+][C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000150276947 639478361 /nfs/dbraw/zinc/47/83/61/639478361.db2.gz YSGNZRQFYICWRK-QMMMGPOBSA-N 2 1 211.696 1.533 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCCCCCO)C[C@H]21 ZINC000931279190 640132035 /nfs/dbraw/zinc/13/20/35/640132035.db2.gz BOQCZJOYCYNCRU-WDNDVIMCSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCCCCCO)C[C@H]21 ZINC000931279190 640132041 /nfs/dbraw/zinc/13/20/41/640132041.db2.gz BOQCZJOYCYNCRU-WDNDVIMCSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC000931281071 640133197 /nfs/dbraw/zinc/13/31/97/640133197.db2.gz NFJWBIAMHDAZDN-MQYQWHSLSA-N 2 1 238.375 1.295 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC000931281071 640133202 /nfs/dbraw/zinc/13/32/02/640133202.db2.gz NFJWBIAMHDAZDN-MQYQWHSLSA-N 2 1 238.375 1.295 20 0 BDADMP COC[C@H](C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931312728 640140713 /nfs/dbraw/zinc/14/07/13/640140713.db2.gz YVCKSSFLFOAMOV-YNEHKIRRSA-N 2 1 226.364 1.295 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3(C)COC3)C[C@]2(C)C1 ZINC000931312427 640145657 /nfs/dbraw/zinc/14/56/57/640145657.db2.gz XLJYRZCTLLIITD-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](CC3(C)COC3)C[C@]2(C)C1 ZINC000931312427 640145665 /nfs/dbraw/zinc/14/56/65/640145665.db2.gz XLJYRZCTLLIITD-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](CC3(C)COC3)C[C@]2(C)C1 ZINC000931312427 640145668 /nfs/dbraw/zinc/14/56/68/640145668.db2.gz XLJYRZCTLLIITD-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](CC3(C)COC3)C[C@]2(C)C1 ZINC000931312427 640145675 /nfs/dbraw/zinc/14/56/75/640145675.db2.gz XLJYRZCTLLIITD-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP COC/C(C)=C\C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355826 640161152 /nfs/dbraw/zinc/16/11/52/640161152.db2.gz BCHOXSICVGMVPG-MLPAPPSSSA-N 2 1 240.391 1.995 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccncc3)C[C@@H]2C1 ZINC000931432328 640199724 /nfs/dbraw/zinc/19/97/24/640199724.db2.gz MMHSNCJHGQUVNY-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccncc3)C[C@@H]2C1 ZINC000931432328 640199728 /nfs/dbraw/zinc/19/97/28/640199728.db2.gz MMHSNCJHGQUVNY-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccncc3)C[C@@H]2C1 ZINC000931432328 640199730 /nfs/dbraw/zinc/19/97/30/640199730.db2.gz MMHSNCJHGQUVNY-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931435617 640202595 /nfs/dbraw/zinc/20/25/95/640202595.db2.gz BVHLQKKKNZAMSU-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@@H]([NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC000931435617 640202598 /nfs/dbraw/zinc/20/25/98/640202598.db2.gz BVHLQKKKNZAMSU-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@@H]([NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC000931435617 640202601 /nfs/dbraw/zinc/20/26/01/640202601.db2.gz BVHLQKKKNZAMSU-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC000931442862 640205752 /nfs/dbraw/zinc/20/57/52/640205752.db2.gz OEJGJEFSIUDMIF-NWDGAFQWSA-N 2 1 249.358 1.621 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC000931442862 640205754 /nfs/dbraw/zinc/20/57/54/640205754.db2.gz OEJGJEFSIUDMIF-NWDGAFQWSA-N 2 1 249.358 1.621 20 0 BDADMP CCc1ncc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)o1 ZINC000931442862 640205762 /nfs/dbraw/zinc/20/57/62/640205762.db2.gz OEJGJEFSIUDMIF-NWDGAFQWSA-N 2 1 249.358 1.621 20 0 BDADMP CCc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)o1 ZINC000931442862 640205767 /nfs/dbraw/zinc/20/57/67/640205767.db2.gz OEJGJEFSIUDMIF-NWDGAFQWSA-N 2 1 249.358 1.621 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443217 640207621 /nfs/dbraw/zinc/20/76/21/640207621.db2.gz TWPLVNIHABEHHM-MJBXVCDLSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@@H](O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931443217 640207627 /nfs/dbraw/zinc/20/76/27/640207627.db2.gz TWPLVNIHABEHHM-MJBXVCDLSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@@H](O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931443217 640207633 /nfs/dbraw/zinc/20/76/33/640207633.db2.gz TWPLVNIHABEHHM-MJBXVCDLSA-N 2 1 240.391 1.277 20 0 BDADMP Nc1ccnc2c1C[N@@H+](CCC1CC1)CC2 ZINC000931512277 640241326 /nfs/dbraw/zinc/24/13/26/640241326.db2.gz IBRCEPIVKHXNKX-UHFFFAOYSA-N 2 1 217.316 1.822 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](CCC1CC1)CC2 ZINC000931512277 640241328 /nfs/dbraw/zinc/24/13/28/640241328.db2.gz IBRCEPIVKHXNKX-UHFFFAOYSA-N 2 1 217.316 1.822 20 0 BDADMP COC/C(C)=C\CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931547799 640267219 /nfs/dbraw/zinc/26/72/19/640267219.db2.gz SXSUORBFYONINC-IZWIXQHKSA-N 2 1 238.375 1.605 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(C)[nH+]1 ZINC000931548294 640268022 /nfs/dbraw/zinc/26/80/22/640268022.db2.gz YJABHFDKGPYUKV-JSGCOSHPSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000931548294 640268027 /nfs/dbraw/zinc/26/80/27/640268027.db2.gz YJABHFDKGPYUKV-JSGCOSHPSA-N 2 1 248.374 1.553 20 0 BDADMP CO[C@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2CN(C)CC3)C1 ZINC000931719619 640334587 /nfs/dbraw/zinc/33/45/87/640334587.db2.gz WJFUOLYMRPYCEJ-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717857 640336536 /nfs/dbraw/zinc/33/65/36/640336536.db2.gz DYTLSECSQDBEBE-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP COCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931726651 640344267 /nfs/dbraw/zinc/34/42/67/640344267.db2.gz LNODINVHCXOUEW-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931726651 640344276 /nfs/dbraw/zinc/34/42/76/640344276.db2.gz LNODINVHCXOUEW-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931726651 640344283 /nfs/dbraw/zinc/34/42/83/640344283.db2.gz LNODINVHCXOUEW-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931726651 640344286 /nfs/dbraw/zinc/34/42/86/640344286.db2.gz LNODINVHCXOUEW-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](Cc1cccnc1)C1CCC([NH3+])CC1 ZINC000055144366 640438857 /nfs/dbraw/zinc/43/88/57/640438857.db2.gz QGDHJWWGDRMIRZ-UHFFFAOYSA-N 2 1 219.332 1.783 20 0 BDADMP C[N@@H+](C[C@H]1CCSC1)C1CCC([NH3+])CC1 ZINC000224618406 640629154 /nfs/dbraw/zinc/62/91/54/640629154.db2.gz BGFOTTVPPLHEOZ-VOMCLLRMSA-N 2 1 228.405 1.941 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000166321346 640630156 /nfs/dbraw/zinc/63/01/56/640630156.db2.gz BIGBWHGAFMVYTE-AGIUHOORSA-N 2 1 210.365 1.820 20 0 BDADMP CCO[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000932969366 640656004 /nfs/dbraw/zinc/65/60/04/640656004.db2.gz DDRFDTPOWGBRMQ-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP CCO[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000932969366 640656006 /nfs/dbraw/zinc/65/60/06/640656006.db2.gz DDRFDTPOWGBRMQ-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP CCc1ccc(C[NH2+]CC2([NH3+])CC2)s1 ZINC000225377422 640687227 /nfs/dbraw/zinc/68/72/27/640687227.db2.gz FBRQVMOWJGLWFD-UHFFFAOYSA-N 2 1 210.346 1.891 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000228010349 640857089 /nfs/dbraw/zinc/85/70/89/640857089.db2.gz MYLUIQFYIVDTAN-RNJOBUHISA-N 2 1 210.365 1.962 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2ccc(F)cc2F)C1 ZINC000087651857 640956794 /nfs/dbraw/zinc/95/67/94/640956794.db2.gz FQNLKVLUNRLFRS-UHFFFAOYSA-N 2 1 212.243 1.544 20 0 BDADMP C[N@H+](Cc1ccncc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862047 641101008 /nfs/dbraw/zinc/10/10/08/641101008.db2.gz RXKQGNZZLBNPAK-AWEZNQCLSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@@H+](Cc1ccncc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862047 641101012 /nfs/dbraw/zinc/10/10/12/641101012.db2.gz RXKQGNZZLBNPAK-AWEZNQCLSA-N 2 1 233.359 1.903 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000062862447 641101076 /nfs/dbraw/zinc/10/10/76/641101076.db2.gz LSVQNWKYCGEZLV-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000062862447 641101081 /nfs/dbraw/zinc/10/10/81/641101081.db2.gz LSVQNWKYCGEZLV-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000307931425 641196421 /nfs/dbraw/zinc/19/64/21/641196421.db2.gz CAMIPFAAFRJEMA-HRDYMLBCSA-N 2 1 240.269 1.111 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000307931425 641196425 /nfs/dbraw/zinc/19/64/25/641196425.db2.gz CAMIPFAAFRJEMA-HRDYMLBCSA-N 2 1 240.269 1.111 20 0 BDADMP C([NH2+][C@@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000232464361 641286516 /nfs/dbraw/zinc/28/65/16/641286516.db2.gz LKSKMYVAVWXHIZ-NXEZZACHSA-N 2 1 200.351 1.224 20 0 BDADMP CC1CCN(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089150326 641477138 /nfs/dbraw/zinc/47/71/38/641477138.db2.gz RATBHAAOKKUAFI-KGLIPLIRSA-N 2 1 239.407 1.435 20 0 BDADMP CC1(C)CCC[C@@H](C[N@@H+]2CCC[NH2+]CC2)O1 ZINC000714369888 711505471 /nfs/dbraw/zinc/50/54/71/711505471.db2.gz XTXDYZDNLIAWNM-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[NH2+]CC2)O1 ZINC000714369888 711505472 /nfs/dbraw/zinc/50/54/72/711505472.db2.gz XTXDYZDNLIAWNM-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156105177 641595200 /nfs/dbraw/zinc/59/52/00/641595200.db2.gz KHYQOQVFFNIPMR-SDDRHHMPSA-N 2 1 242.363 1.210 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156105177 641595205 /nfs/dbraw/zinc/59/52/05/641595205.db2.gz KHYQOQVFFNIPMR-SDDRHHMPSA-N 2 1 242.363 1.210 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@H+]1C ZINC000157692432 641622907 /nfs/dbraw/zinc/62/29/07/641622907.db2.gz SWWBMZWMMBPRSN-UPJWGTAASA-N 2 1 224.348 1.751 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000189081250 641786280 /nfs/dbraw/zinc/78/62/80/641786280.db2.gz XQRNGUSWRMWXAN-GFCCVEGCSA-N 2 1 237.322 1.652 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000189081250 641786285 /nfs/dbraw/zinc/78/62/85/641786285.db2.gz XQRNGUSWRMWXAN-GFCCVEGCSA-N 2 1 237.322 1.652 20 0 BDADMP CCCC[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000915228963 641811580 /nfs/dbraw/zinc/81/15/80/641811580.db2.gz LYLPOGXOCSBVDU-UHFFFAOYSA-N 2 1 241.423 1.794 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915241 642711745 /nfs/dbraw/zinc/71/17/45/642711745.db2.gz FUSYZYKRNSWOFM-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CCN(c1cc(C)[nH+]c(C)n1)[C@@H]1CC[NH2+]C1 ZINC000070901468 643081909 /nfs/dbraw/zinc/08/19/09/643081909.db2.gz CPVLGIFPMFTKBQ-LLVKDONJSA-N 2 1 220.320 1.282 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCOC1 ZINC000253058119 643155689 /nfs/dbraw/zinc/15/56/89/643155689.db2.gz BMQZTPMXZXJSEN-YJBUHQLJSA-N 2 1 238.375 1.626 20 0 BDADMP Cl/C=C/C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000306799234 643245062 /nfs/dbraw/zinc/24/50/62/643245062.db2.gz MSOGKODCBYTKFR-QMHDWFDUSA-N 2 1 214.740 1.670 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CC1CCOCC1 ZINC000082544596 643339322 /nfs/dbraw/zinc/33/93/22/643339322.db2.gz IITBYTYIVZMFRA-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](CC1CCOCC1)C1CCC([NH3+])CC1 ZINC000082544765 643339494 /nfs/dbraw/zinc/33/94/94/643339494.db2.gz KASZMWMRQAZTSS-UHFFFAOYSA-N 2 1 226.364 1.615 20 0 BDADMP O=c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc[nH]1 ZINC000921526813 643587366 /nfs/dbraw/zinc/58/73/66/643587366.db2.gz IITMMUQMPDVJAU-LBPRGKRZSA-N 2 1 247.342 1.361 20 0 BDADMP O=c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc[nH]1 ZINC000921526811 643588278 /nfs/dbraw/zinc/58/82/78/643588278.db2.gz IITMMUQMPDVJAU-GFCCVEGCSA-N 2 1 247.342 1.361 20 0 BDADMP CCc1cc(N2CC[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000084082123 643644613 /nfs/dbraw/zinc/64/46/13/643644613.db2.gz MORSYDVCNXYTLN-JTQLQIEISA-N 2 1 220.320 1.132 20 0 BDADMP CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245242 643661623 /nfs/dbraw/zinc/66/16/23/643661623.db2.gz CLFYWJYMXWBSGP-LBPRGKRZSA-N 2 1 234.343 1.866 20 0 BDADMP C[N@@H+](CCc1cccs1)C1CC([NH3+])C1 ZINC000087653649 643666741 /nfs/dbraw/zinc/66/67/41/643666741.db2.gz QTEUDLCFRBRSDG-UHFFFAOYSA-N 2 1 210.346 1.712 20 0 BDADMP C1=CO[C@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000050269141 643672177 /nfs/dbraw/zinc/67/21/77/643672177.db2.gz IZELUJRURDIXCP-JSGCOSHPSA-N 2 1 236.359 1.753 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015084 643679051 /nfs/dbraw/zinc/67/90/51/643679051.db2.gz IJILCLZVDGZALN-QNWHQSFQSA-N 2 1 226.364 1.613 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2OC)CC1 ZINC000050368964 643691366 /nfs/dbraw/zinc/69/13/66/643691366.db2.gz XDXCGSTYULHONR-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000230311890 643767705 /nfs/dbraw/zinc/76/77/05/643767705.db2.gz IPJYECXBWVABDI-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N(C)C ZINC000251847161 643806558 /nfs/dbraw/zinc/80/65/58/643806558.db2.gz RBFYVLGVORSIME-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP Cc1nonc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869730 643824516 /nfs/dbraw/zinc/82/45/16/643824516.db2.gz BHUSTSLKKCVTHW-UHFFFAOYSA-N 2 1 224.308 1.080 20 0 BDADMP CCO[C@H](C[NH2+]C[C@H]1CCSC1)C[NH+](C)C ZINC000922754920 644087078 /nfs/dbraw/zinc/08/70/78/644087078.db2.gz VKDQJAFSHMDJCV-VXGBXAGGSA-N 2 1 246.420 1.296 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCCCO ZINC000228659078 644140367 /nfs/dbraw/zinc/14/03/67/644140367.db2.gz OXVMYWUBVQFXLJ-NEPJUHHUSA-N 2 1 214.353 1.208 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923279019 644311810 /nfs/dbraw/zinc/31/18/10/644311810.db2.gz AIMPPMGCONWAMI-ZDUSSCGKSA-N 2 1 228.380 1.467 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000923282652 644316953 /nfs/dbraw/zinc/31/69/53/644316953.db2.gz XSIAMSITVGTYDT-VIFPVBQESA-N 2 1 209.293 1.018 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000923282652 644316959 /nfs/dbraw/zinc/31/69/59/644316959.db2.gz XSIAMSITVGTYDT-VIFPVBQESA-N 2 1 209.293 1.018 20 0 BDADMP CCc1ncc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000923289825 644322245 /nfs/dbraw/zinc/32/22/45/644322245.db2.gz SRHRTXPJZMVPRU-GHMZBOCLSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1ncc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000923289825 644322247 /nfs/dbraw/zinc/32/22/47/644322247.db2.gz SRHRTXPJZMVPRU-GHMZBOCLSA-N 2 1 237.347 1.796 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000923291130 644325981 /nfs/dbraw/zinc/32/59/81/644325981.db2.gz BDQXTBUKHIJARQ-HUUCEWRRSA-N 2 1 248.370 1.403 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000923291130 644325985 /nfs/dbraw/zinc/32/59/85/644325985.db2.gz BDQXTBUKHIJARQ-HUUCEWRRSA-N 2 1 248.370 1.403 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000923290973 644326877 /nfs/dbraw/zinc/32/68/77/644326877.db2.gz PSNHWMXEMYKGLG-ZFWWWQNUSA-N 2 1 248.370 1.570 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306122 644340939 /nfs/dbraw/zinc/34/09/39/644340939.db2.gz QOZOTKLCPXFPMJ-NEPJUHHUSA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317573 644342813 /nfs/dbraw/zinc/34/28/13/644342813.db2.gz FJIZZLZORHRRQN-OLZOCXBDSA-N 2 1 238.375 1.343 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923315926 644344947 /nfs/dbraw/zinc/34/49/47/644344947.db2.gz OANCKCKSAICXAB-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309056 644346687 /nfs/dbraw/zinc/34/66/87/644346687.db2.gz IXLYECFVRJYRIK-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP NC1(C[NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000923330513 644348577 /nfs/dbraw/zinc/34/85/77/644348577.db2.gz ADBLDGOIPXYIGZ-YHWZYXNKSA-N 2 1 237.391 1.378 20 0 BDADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923331927 644360547 /nfs/dbraw/zinc/36/05/47/644360547.db2.gz JKADCPABCDQIHT-DRZSPHRISA-N 2 1 249.358 1.715 20 0 BDADMP CCOCCOCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348983 644362099 /nfs/dbraw/zinc/36/20/99/644362099.db2.gz NBAQPAKHFPHTTJ-CYBMUJFWSA-N 2 1 244.379 1.100 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354981 644371898 /nfs/dbraw/zinc/37/18/98/644371898.db2.gz XRBWOBTZYZXKMH-JWURUJNWSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354981 644371904 /nfs/dbraw/zinc/37/19/04/644371904.db2.gz XRBWOBTZYZXKMH-JWURUJNWSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1[C@@H](N)CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354981 644371906 /nfs/dbraw/zinc/37/19/06/644371906.db2.gz XRBWOBTZYZXKMH-JWURUJNWSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1[C@@H](N)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354981 644371914 /nfs/dbraw/zinc/37/19/14/644371914.db2.gz XRBWOBTZYZXKMH-JWURUJNWSA-N 2 1 237.391 1.329 20 0 BDADMP CC(C)OCC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923366933 644377558 /nfs/dbraw/zinc/37/75/58/644377558.db2.gz BFRRMDBCVXHIHY-NWDGAFQWSA-N 2 1 246.395 1.125 20 0 BDADMP CCCCOC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923368593 644380310 /nfs/dbraw/zinc/38/03/10/644380310.db2.gz RVUNRQYTPXRPDI-VXGBXAGGSA-N 2 1 246.395 1.127 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCC[NH2+]C1CC1 ZINC000923370159 644381267 /nfs/dbraw/zinc/38/12/67/644381267.db2.gz DDXCQLFFDCPWIV-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000923370950 644383706 /nfs/dbraw/zinc/38/37/06/644383706.db2.gz SHRNZZQVEWXJAS-GFCCVEGCSA-N 3 1 225.380 1.106 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923360325 644385009 /nfs/dbraw/zinc/38/50/09/644385009.db2.gz ZZXBQIMSCGUNLP-IHRRRGAJSA-N 2 1 240.391 1.469 20 0 BDADMP CSC[C@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923374198 644388422 /nfs/dbraw/zinc/38/84/22/644388422.db2.gz SBAXAHLMHUEANV-VXGBXAGGSA-N 2 1 246.420 1.208 20 0 BDADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923373605 644389665 /nfs/dbraw/zinc/38/96/65/644389665.db2.gz QNQRPPLTVMODPN-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP CSC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000923385389 644399599 /nfs/dbraw/zinc/39/95/99/644399599.db2.gz APDOCBFYKHQBSB-IJLUTSLNSA-N 2 1 246.420 1.160 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923391914 644399990 /nfs/dbraw/zinc/39/99/90/644399990.db2.gz GRXAIOZNGAEZIO-AGIUHOORSA-N 2 1 228.380 1.595 20 0 BDADMP CC[N@@H+](CCN)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923399478 644405257 /nfs/dbraw/zinc/40/52/57/644405257.db2.gz QERAVMLIRVRUHO-YHWZYXNKSA-N 2 1 225.380 1.188 20 0 BDADMP CCN(CC[NH3+])CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923399478 644405258 /nfs/dbraw/zinc/40/52/58/644405258.db2.gz QERAVMLIRVRUHO-YHWZYXNKSA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923410393 644410308 /nfs/dbraw/zinc/41/03/08/644410308.db2.gz GLKWHALVTNFDBQ-UPJWGTAASA-N 2 1 228.380 1.310 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CCC[NH2+]C3CC3)CC[C@@H]21 ZINC000923414087 644416518 /nfs/dbraw/zinc/41/65/18/644416518.db2.gz JNKRNKPIFSHILV-JSGCOSHPSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@H](C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O)C(C)(C)C ZINC000923423360 644418703 /nfs/dbraw/zinc/41/87/03/644418703.db2.gz BKRWXFBPXWXKPP-RHYQMDGZSA-N 2 1 228.380 1.451 20 0 BDADMP FC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425505 644418845 /nfs/dbraw/zinc/41/88/45/644418845.db2.gz ZPNNDTFWKJEJEE-RYUDHWBXSA-N 2 1 242.338 1.046 20 0 BDADMP FC[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425502 644419490 /nfs/dbraw/zinc/41/94/90/644419490.db2.gz ZPNNDTFWKJEJEE-NEPJUHHUSA-N 2 1 242.338 1.046 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923429175 644421805 /nfs/dbraw/zinc/42/18/05/644421805.db2.gz XESNYTQRZYBYES-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000923435921 644427619 /nfs/dbraw/zinc/42/76/19/644427619.db2.gz KVSKKVHLMHUQKH-WOPDTQHZSA-N 2 1 225.380 1.057 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000923482390 644458934 /nfs/dbraw/zinc/45/89/34/644458934.db2.gz ZKFMZOUGQXIPHR-AWEZNQCLSA-N 2 1 233.359 1.685 20 0 BDADMP CN(CC[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923484111 644461501 /nfs/dbraw/zinc/46/15/01/644461501.db2.gz VRZUHTVVUASRLK-CQSZACIVSA-N 2 1 247.386 1.794 20 0 BDADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496349 644462177 /nfs/dbraw/zinc/46/21/77/644462177.db2.gz HMVDQEBVHKXWBM-WOPDTQHZSA-N 2 1 242.363 1.245 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495767 644462208 /nfs/dbraw/zinc/46/22/08/644462208.db2.gz XQCAEYHWVOUPAA-UONOGXRCSA-N 2 1 241.423 1.635 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@H]1C[NH3+] ZINC000923489403 644465791 /nfs/dbraw/zinc/46/57/91/644465791.db2.gz JNROOINFZBCKNR-PWSUYJOCSA-N 2 1 249.358 1.969 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490293 644465887 /nfs/dbraw/zinc/46/58/87/644465887.db2.gz MINIEARGFDZINX-STQMWFEESA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccns2)CC[C@@H]1C[NH3+] ZINC000923492133 644468802 /nfs/dbraw/zinc/46/88/02/644468802.db2.gz WGEQKMQAHYPIBV-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493718 644469370 /nfs/dbraw/zinc/46/93/70/644469370.db2.gz UMCLZBBCHLTLFW-QWRGUYRKSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493718 644469375 /nfs/dbraw/zinc/46/93/75/644469375.db2.gz UMCLZBBCHLTLFW-QWRGUYRKSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923494124 644470492 /nfs/dbraw/zinc/47/04/92/644470492.db2.gz KNMUQTVMMRAPSV-SMDDNHRTSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@H]1C[N@@H+](CCOC2CC2)CC[C@H]1C[NH3+] ZINC000923494140 644470655 /nfs/dbraw/zinc/47/06/55/644470655.db2.gz VWSVTDASHBKGGH-QWRGUYRKSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923500305 644472496 /nfs/dbraw/zinc/47/24/96/644472496.db2.gz NHVRKPULMVTGSL-ONGXEEELSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(N)c2)CC[C@@H]1C[NH3+] ZINC000923501325 644475573 /nfs/dbraw/zinc/47/55/73/644475573.db2.gz QLIGTBIVCBLFOH-WCQYABFASA-N 2 1 233.359 1.686 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)nn1 ZINC000923515819 644479317 /nfs/dbraw/zinc/47/93/17/644479317.db2.gz NKEQGMWUPOOXBF-GXTWGEPZSA-N 2 1 246.358 1.135 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)nn1 ZINC000923515819 644479323 /nfs/dbraw/zinc/47/93/23/644479323.db2.gz NKEQGMWUPOOXBF-GXTWGEPZSA-N 2 1 246.358 1.135 20 0 BDADMP CCO[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC000923516287 644479414 /nfs/dbraw/zinc/47/94/14/644479414.db2.gz YBZBMLILEFLMFE-MJBXVCDLSA-N 2 1 238.375 1.343 20 0 BDADMP C=C/C=C\CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516258 644479845 /nfs/dbraw/zinc/47/98/45/644479845.db2.gz WZXKPMBKLDKBAG-RSNNXLNZSA-N 2 1 206.333 1.660 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515820 644480190 /nfs/dbraw/zinc/48/01/90/644480190.db2.gz NKMOZHZQGURUEK-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1cncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923515710 644480620 /nfs/dbraw/zinc/48/06/20/644480620.db2.gz KUNALCSDGDVMEF-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515850 644480804 /nfs/dbraw/zinc/48/08/04/644480804.db2.gz OPROINVVOLLRIH-MJBXVCDLSA-N 2 1 240.391 1.325 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923530973 644487873 /nfs/dbraw/zinc/48/78/73/644487873.db2.gz OCRJQFXBUPEATQ-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000923532280 644490692 /nfs/dbraw/zinc/49/06/92/644490692.db2.gz AHPBJRCXQFUAGP-UONOGXRCSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000923532280 644490696 /nfs/dbraw/zinc/49/06/96/644490696.db2.gz AHPBJRCXQFUAGP-UONOGXRCSA-N 3 1 237.391 1.204 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000923555178 644497989 /nfs/dbraw/zinc/49/79/89/644497989.db2.gz QJYJLHBRXMKNDQ-KWCYVHTRSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000923555178 644497995 /nfs/dbraw/zinc/49/79/95/644497995.db2.gz QJYJLHBRXMKNDQ-KWCYVHTRSA-N 2 1 238.375 1.343 20 0 BDADMP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923556354 644501142 /nfs/dbraw/zinc/50/11/42/644501142.db2.gz WNDYTVWQAWPWJH-CHWSQXEVSA-N 2 1 224.348 1.097 20 0 BDADMP C(C1CC1)[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923556354 644501146 /nfs/dbraw/zinc/50/11/46/644501146.db2.gz WNDYTVWQAWPWJH-CHWSQXEVSA-N 2 1 224.348 1.097 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)[C@@H](C)C1 ZINC000245620401 644532716 /nfs/dbraw/zinc/53/27/16/644532716.db2.gz WNTLGBRHQVUBCP-RYUDHWBXSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)[C@@H](C)C1 ZINC000245620401 644532722 /nfs/dbraw/zinc/53/27/22/644532722.db2.gz WNTLGBRHQVUBCP-RYUDHWBXSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089145504 644536110 /nfs/dbraw/zinc/53/61/10/644536110.db2.gz RXUXWUGHCRYSTH-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000089145777 644536079 /nfs/dbraw/zinc/53/60/79/644536079.db2.gz KCCMDXPJTQCAIL-KBPBESRZSA-N 2 1 239.407 1.579 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089145504 644536108 /nfs/dbraw/zinc/53/61/08/644536108.db2.gz RXUXWUGHCRYSTH-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000090795330 644606179 /nfs/dbraw/zinc/60/61/79/644606179.db2.gz YMNBTYAMECPSPR-NXEZZACHSA-N 2 1 235.335 1.262 20 0 BDADMP Cc1nc(C[N@H+](C)C2CCC([NH3+])CC2)oc1C ZINC000091846998 644643030 /nfs/dbraw/zinc/64/30/30/644643030.db2.gz SSUMHTSNAVDIGD-UHFFFAOYSA-N 2 1 237.347 1.993 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CC(OC)OC)[C@@H](C)C1 ZINC000249289646 644718766 /nfs/dbraw/zinc/71/87/66/644718766.db2.gz ABXPBXWGVYYDLN-RYUDHWBXSA-N 2 1 244.379 1.267 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH+](C)CC(OC)OC)[C@@H](C)C1 ZINC000249289646 644718770 /nfs/dbraw/zinc/71/87/70/644718770.db2.gz ABXPBXWGVYYDLN-RYUDHWBXSA-N 2 1 244.379 1.267 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC(OC)OC)[C@@H](C)C1 ZINC000249289646 644718774 /nfs/dbraw/zinc/71/87/74/644718774.db2.gz ABXPBXWGVYYDLN-RYUDHWBXSA-N 2 1 244.379 1.267 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)N(C)C ZINC000251205778 644797399 /nfs/dbraw/zinc/79/73/99/644797399.db2.gz LPMAQGBRHRTDQK-RDBSUJKOSA-N 2 1 241.423 1.837 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251632877 644815661 /nfs/dbraw/zinc/81/56/61/644815661.db2.gz FNFHVNCETAGIOQ-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251752011 644820916 /nfs/dbraw/zinc/82/09/16/644820916.db2.gz LKIVFLXEFCMGGZ-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843129630 645267852 /nfs/dbraw/zinc/26/78/52/645267852.db2.gz QTZOXYBDHFIIGX-RYUDHWBXSA-N 3 1 213.369 1.093 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000926573766 645291800 /nfs/dbraw/zinc/29/18/00/645291800.db2.gz PNZBZOLUZRJCFZ-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])CC(C)(C)[NH3+] ZINC000852753517 645488062 /nfs/dbraw/zinc/48/80/62/645488062.db2.gz CPSWHCYZKXUKJB-UHFFFAOYSA-N 3 1 215.385 1.565 20 0 BDADMP CN(CCCCCCC[NH3+])CC(C)(C)[NH3+] ZINC000852753517 645488068 /nfs/dbraw/zinc/48/80/68/645488068.db2.gz CPSWHCYZKXUKJB-UHFFFAOYSA-N 2 1 215.385 1.565 20 0 BDADMP C[N@H+](CCCCCCC[NH3+])CC(C)(C)N ZINC000852753517 645488072 /nfs/dbraw/zinc/48/80/72/645488072.db2.gz CPSWHCYZKXUKJB-UHFFFAOYSA-N 2 1 215.385 1.565 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])CC(C)(C)N ZINC000852753517 645488075 /nfs/dbraw/zinc/48/80/75/645488075.db2.gz CPSWHCYZKXUKJB-UHFFFAOYSA-N 2 1 215.385 1.565 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858117094 645670157 /nfs/dbraw/zinc/67/01/57/645670157.db2.gz ZQIIBKQOZWFFHN-CHWSQXEVSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cccc(Cl)n1 ZINC000133224835 645862428 /nfs/dbraw/zinc/86/24/28/645862428.db2.gz OXKNHHADNBYVCK-UHFFFAOYSA-N 2 1 213.712 1.516 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cccc(Cl)n1 ZINC000133224835 645862430 /nfs/dbraw/zinc/86/24/30/645862430.db2.gz OXKNHHADNBYVCK-UHFFFAOYSA-N 2 1 213.712 1.516 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924871575 646121257 /nfs/dbraw/zinc/12/12/57/646121257.db2.gz FCDIWUUPBXMDGA-QWRGUYRKSA-N 2 1 237.347 1.452 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)CO ZINC000925143576 646193767 /nfs/dbraw/zinc/19/37/67/646193767.db2.gz QWLSSBKLLNMXER-GRYCIOLGSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)CO ZINC000925143576 646193771 /nfs/dbraw/zinc/19/37/71/646193771.db2.gz QWLSSBKLLNMXER-GRYCIOLGSA-N 2 1 228.380 1.466 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCCO1 ZINC000925247897 646219822 /nfs/dbraw/zinc/21/98/22/646219822.db2.gz CSIFGDIHWILSAO-QNMSZWNNSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929717939 646270658 /nfs/dbraw/zinc/27/06/58/646270658.db2.gz BCZANSIRNVVVQJ-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000929750235 646283066 /nfs/dbraw/zinc/28/30/66/646283066.db2.gz SXVPIRORITUQIQ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000925477102 646291292 /nfs/dbraw/zinc/29/12/92/646291292.db2.gz LEHHLZOGNSPGMH-STQMWFEESA-N 2 1 240.391 1.658 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000929764168 646293432 /nfs/dbraw/zinc/29/34/32/646293432.db2.gz QMQNRHHKAKJDDS-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000929764168 646293435 /nfs/dbraw/zinc/29/34/35/646293435.db2.gz QMQNRHHKAKJDDS-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2(C)C)CC[N@H+]1C ZINC000925519598 646310863 /nfs/dbraw/zinc/31/08/63/646310863.db2.gz UVGZGFQSKJZRTO-UTUOFQBUSA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925525649 646316795 /nfs/dbraw/zinc/31/67/95/646316795.db2.gz DKEXVMZYTRZCOD-IHRRRGAJSA-N 2 1 242.407 1.761 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C(C)(C)C ZINC000925529183 646317819 /nfs/dbraw/zinc/31/78/19/646317819.db2.gz ZMOGEPFFVKCROD-MNOVXSKESA-N 2 1 228.380 1.778 20 0 BDADMP Cc1csc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)n1 ZINC000925536250 646321827 /nfs/dbraw/zinc/32/18/27/646321827.db2.gz DGIRJOQTMSMVBN-JTQLQIEISA-N 2 1 239.388 1.724 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CSCCS1 ZINC000925539263 646321864 /nfs/dbraw/zinc/32/18/64/646321864.db2.gz AOQHOMTWYAEFGR-UWVGGRQHSA-N 2 1 246.445 1.565 20 0 BDADMP COC1CCC(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925543114 646323423 /nfs/dbraw/zinc/32/34/23/646323423.db2.gz QPJAOCMCVUMZJF-ABXWRUBCSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925550840 646328760 /nfs/dbraw/zinc/32/87/60/646328760.db2.gz DJTQVXPLFCNYQI-VZZFWQQMSA-N 2 1 249.402 1.329 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925555393 646331524 /nfs/dbraw/zinc/33/15/24/646331524.db2.gz FHULGCFPKXAZIP-LLVKDONJSA-N 2 1 213.369 1.057 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925557253 646333995 /nfs/dbraw/zinc/33/39/95/646333995.db2.gz NCCDDPKJHUSWNB-QWHCGFSZSA-N 2 1 239.407 1.576 20 0 BDADMP C[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925558576 646334150 /nfs/dbraw/zinc/33/41/50/646334150.db2.gz TVGDOLWSIMNKSX-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H](O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925579586 646345395 /nfs/dbraw/zinc/34/53/95/646345395.db2.gz FSMUOTIQZBVEOF-NEPJUHHUSA-N 2 1 226.364 1.412 20 0 BDADMP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925585694 646346684 /nfs/dbraw/zinc/34/66/84/646346684.db2.gz VBZQHTZWKDSPPX-YPMHNXCESA-N 2 1 246.358 1.141 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925635894 646372905 /nfs/dbraw/zinc/37/29/05/646372905.db2.gz USTUZEPLGZKPMB-VWYCJHECSA-N 2 1 212.337 1.020 20 0 BDADMP c1cn2c([nH+]1)C[C@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925644747 646383877 /nfs/dbraw/zinc/38/38/77/646383877.db2.gz NJPOOYWSZSTQRK-NEPJUHHUSA-N 2 1 246.358 1.072 20 0 BDADMP CC(C)C(C)(C)CN[C@@H]1C[NH2+]CCOC1 ZINC000925645677 646388099 /nfs/dbraw/zinc/38/80/99/646388099.db2.gz RXQCLLQQWYTBFG-LLVKDONJSA-N 2 1 214.353 1.247 20 0 BDADMP FCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925657434 646394721 /nfs/dbraw/zinc/39/47/21/646394721.db2.gz SHYIBUXIDGMIDI-NWDGAFQWSA-N 2 1 214.328 1.714 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)n1 ZINC000925661270 646396884 /nfs/dbraw/zinc/39/68/84/646396884.db2.gz CPDKRHWJDRJYHV-ZDUSSCGKSA-N 2 1 233.359 1.663 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C12CCC2 ZINC000925667201 646399035 /nfs/dbraw/zinc/39/90/35/646399035.db2.gz AORDABWWLNXTIQ-OASPWFOLSA-N 2 1 246.358 1.127 20 0 BDADMP CC(C)(CN[C@@H]1C[NH2+]CCOC1)C1CCC1 ZINC000925683361 646411905 /nfs/dbraw/zinc/41/19/05/646411905.db2.gz PGISRAGTTXOFOB-GFCCVEGCSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H]1NCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000925686507 646412457 /nfs/dbraw/zinc/41/24/57/646412457.db2.gz VPTDVHTUQYKRNA-OCCSQVGLSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000925686507 646412462 /nfs/dbraw/zinc/41/24/62/646412462.db2.gz VPTDVHTUQYKRNA-OCCSQVGLSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000925686507 646412468 /nfs/dbraw/zinc/41/24/68/646412468.db2.gz VPTDVHTUQYKRNA-OCCSQVGLSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000925686697 646412483 /nfs/dbraw/zinc/41/24/83/646412483.db2.gz XRKQTUCGAPEUCV-OLZOCXBDSA-N 2 1 239.407 1.591 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925685460 646412798 /nfs/dbraw/zinc/41/27/98/646412798.db2.gz ITSOARPVCDSJKX-OLZOCXBDSA-N 3 1 239.407 1.448 20 0 BDADMP C[N@@H+]1CCC[C@H](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925685460 646412802 /nfs/dbraw/zinc/41/28/02/646412802.db2.gz ITSOARPVCDSJKX-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@H+]1CCC[C@H](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925685460 646412805 /nfs/dbraw/zinc/41/28/05/646412805.db2.gz ITSOARPVCDSJKX-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000925691085 646416585 /nfs/dbraw/zinc/41/65/85/646416585.db2.gz IJTYDZBFTCMEJE-JHJVBQTASA-N 3 1 239.407 1.482 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NCCC[C@@H]1CCC[NH2+]1 ZINC000925703647 646424408 /nfs/dbraw/zinc/42/44/08/646424408.db2.gz DOQPHWUJTROYQR-RYUDHWBXSA-N 2 1 225.380 1.249 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C12CCC2 ZINC000925702047 646425352 /nfs/dbraw/zinc/42/53/52/646425352.db2.gz JWBJHEUTRFIGHD-CHWSQXEVSA-N 2 1 237.391 1.236 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)CO ZINC000925704433 646429631 /nfs/dbraw/zinc/42/96/31/646429631.db2.gz GYTTUEUYRGHBPX-LLVKDONJSA-N 2 1 226.364 1.245 20 0 BDADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)co1 ZINC000925712213 646436739 /nfs/dbraw/zinc/43/67/39/646436739.db2.gz WZMJQRZPLJUNPI-GFCCVEGCSA-N 2 1 220.316 1.696 20 0 BDADMP C1=C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925712267 646437293 /nfs/dbraw/zinc/43/72/93/646437293.db2.gz QYYGDYCGEXAYLI-NWDGAFQWSA-N 2 1 206.333 1.969 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925711482 646437464 /nfs/dbraw/zinc/43/74/64/646437464.db2.gz NAEZYCQOSQMXCU-WYUUTHIRSA-N 2 1 222.332 1.181 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000925725281 646449871 /nfs/dbraw/zinc/44/98/71/646449871.db2.gz ILOGYGMTNDZSTF-MCDVFOBDSA-N 2 1 236.359 1.140 20 0 BDADMP C[C@H](N[C@H]1CC[NH2+]C1(C)C)C1CC[NH2+]CC1 ZINC000925727048 646450268 /nfs/dbraw/zinc/45/02/68/646450268.db2.gz CBEPKXSQUYYCQR-JQWIXIFHSA-N 2 1 225.380 1.105 20 0 BDADMP [NH3+]C[C@H]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925726611 646452324 /nfs/dbraw/zinc/45/23/24/646452324.db2.gz URWNAXHJPDWMLU-JHJVBQTASA-N 2 1 237.391 1.378 20 0 BDADMP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000925731237 646457050 /nfs/dbraw/zinc/45/70/50/646457050.db2.gz ZLAWEUZHOQCNOO-YPMHNXCESA-N 2 1 237.391 1.249 20 0 BDADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)CC(F)F ZINC000925734466 646457660 /nfs/dbraw/zinc/45/76/60/646457660.db2.gz RHKOCECDWILYEW-MRVPVSSYSA-N 2 1 206.280 1.619 20 0 BDADMP C[C@H]1C[C@@H](NCCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000925742698 646464578 /nfs/dbraw/zinc/46/45/78/646464578.db2.gz XBKTYOSRPLILON-WDEREUQCSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CN1C1CC1 ZINC000925742698 646464582 /nfs/dbraw/zinc/46/45/82/646464582.db2.gz XBKTYOSRPLILON-WDEREUQCSA-N 2 1 225.380 1.329 20 0 BDADMP Nc1cc[nH+]c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000925769931 646470914 /nfs/dbraw/zinc/47/09/14/646470914.db2.gz CYNCBHULOLCHAV-TZMCWYRMSA-N 2 1 246.358 1.380 20 0 BDADMP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000925774385 646472120 /nfs/dbraw/zinc/47/21/20/646472120.db2.gz UYCRBUNBLVMTSA-GRYCIOLGSA-N 2 1 210.321 1.040 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925775290 646476306 /nfs/dbraw/zinc/47/63/06/646476306.db2.gz PGDFWGAINMCOBV-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(=O)[nH]n1 ZINC000925779707 646477829 /nfs/dbraw/zinc/47/78/29/646477829.db2.gz OUXOGVBTZQBHRS-AEJSXWLSSA-N 2 1 236.319 1.103 20 0 BDADMP Cc1nc(C)c(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)[nH]1 ZINC000930177982 646479029 /nfs/dbraw/zinc/47/90/29/646479029.db2.gz RLHFSFMOWPEASP-WDEREUQCSA-N 2 1 236.363 1.551 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000925784155 646480947 /nfs/dbraw/zinc/48/09/47/646480947.db2.gz ICYAOAPUGYZPJB-KGYLQXTDSA-N 2 1 248.374 1.316 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925811166 646490490 /nfs/dbraw/zinc/49/04/90/646490490.db2.gz CMKCXMRDUMZPPW-CZXHOFHRSA-N 2 1 249.358 1.459 20 0 BDADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccnnc1 ZINC000925814765 646491832 /nfs/dbraw/zinc/49/18/32/646491832.db2.gz PPTUNWCNLPLQBS-JQWIXIFHSA-N 2 1 243.314 1.339 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925824352 646497100 /nfs/dbraw/zinc/49/71/00/646497100.db2.gz SAQBCKKGOYAHBT-RMPHRYRLSA-N 2 1 208.349 1.761 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839678 646507058 /nfs/dbraw/zinc/50/70/58/646507058.db2.gz JAJIWZLSKBEOMF-AAVRWANBSA-N 3 1 237.391 1.236 20 0 BDADMP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCS2 ZINC000925855242 646511133 /nfs/dbraw/zinc/51/11/33/646511133.db2.gz CGIXODZSOLWQCN-WDEREUQCSA-N 2 1 226.389 1.756 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925855800 646511310 /nfs/dbraw/zinc/51/13/10/646511310.db2.gz ICVKUIQIZDEOFG-GHMZBOCLSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000926175655 646588346 /nfs/dbraw/zinc/58/83/46/646588346.db2.gz ZRJNBZMXEYVFLD-NQBHXWOUSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000926175655 646588352 /nfs/dbraw/zinc/58/83/52/646588352.db2.gz ZRJNBZMXEYVFLD-NQBHXWOUSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000926175657 646589417 /nfs/dbraw/zinc/58/94/17/646589417.db2.gz ZRJNBZMXEYVFLD-WZRBSPASSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000926175657 646589419 /nfs/dbraw/zinc/58/94/19/646589419.db2.gz ZRJNBZMXEYVFLD-WZRBSPASSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]1COC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337988 646618964 /nfs/dbraw/zinc/61/89/64/646618964.db2.gz UUPKGQZVAVAIHC-GFJIZPEISA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(F)F ZINC000926496044 646662213 /nfs/dbraw/zinc/66/22/13/646662213.db2.gz YQZVRDORRRGUTM-ZACCUICWSA-N 2 1 232.318 1.962 20 0 BDADMP Cc1cn(C)nc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886003 711543354 /nfs/dbraw/zinc/54/33/54/711543354.db2.gz FSEHRANIZNZKFC-ZYHUDNBSSA-N 2 1 236.363 1.145 20 0 BDADMP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907378 711544866 /nfs/dbraw/zinc/54/48/66/711544866.db2.gz AUPCSSUBNFRZGT-PSASIEDQSA-N 2 1 240.376 1.263 20 0 BDADMP FCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000393791315 711678456 /nfs/dbraw/zinc/67/84/56/711678456.db2.gz JCFCKGZRIZEJDE-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP CCCNc1cc(N[C@@H](C)C[NH3+])nc[nH+]1 ZINC000258631663 711739134 /nfs/dbraw/zinc/73/91/34/711739134.db2.gz KQAYVGVJWSYRTF-QMMMGPOBSA-N 2 1 209.297 1.058 20 0 BDADMP COC[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000721965238 711845229 /nfs/dbraw/zinc/84/52/29/711845229.db2.gz YSLBHDNDSHAISQ-UONOGXRCSA-N 2 1 242.407 1.966 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCC1CC1)C2 ZINC000702102998 712039151 /nfs/dbraw/zinc/03/91/51/712039151.db2.gz ADRNRFFLFAOGLK-QWHCGFSZSA-N 2 1 208.349 1.718 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]1(C)CC1(C)C)C1CC1 ZINC000702340115 712047813 /nfs/dbraw/zinc/04/78/13/712047813.db2.gz UZSDAZMYSYQZAT-OCCSQVGLSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]1(C)CC1(C)C)C1CC1 ZINC000702340115 712047814 /nfs/dbraw/zinc/04/78/14/712047814.db2.gz UZSDAZMYSYQZAT-OCCSQVGLSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(C)(O)CC2)CC1 ZINC000703010016 712064388 /nfs/dbraw/zinc/06/43/88/712064388.db2.gz PBZKVGSXYZIYIK-UHFFFAOYSA-N 2 1 238.375 1.532 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000703161177 712067317 /nfs/dbraw/zinc/06/73/17/712067317.db2.gz BQLNGAJZZHUPPT-VOBJUBJWSA-N 2 1 212.337 1.223 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCOCC1 ZINC000703587655 712079967 /nfs/dbraw/zinc/07/99/67/712079967.db2.gz BOTBZEJOQBQMPN-TXEJJXNPSA-N 2 1 212.337 1.082 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000703844841 712091092 /nfs/dbraw/zinc/09/10/92/712091092.db2.gz DCRXZPULRQKHLJ-UZEXVOJHSA-N 2 1 212.337 1.081 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000704816349 712118518 /nfs/dbraw/zinc/11/85/18/712118518.db2.gz VIGHMECQESQJDT-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000707208942 712166208 /nfs/dbraw/zinc/16/62/08/712166208.db2.gz QZJBJUJMUNHTTJ-AGIUHOORSA-N 2 1 242.432 1.915 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000708341330 712189050 /nfs/dbraw/zinc/18/90/50/712189050.db2.gz RTXCRTWXVFGUII-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709130032 712209956 /nfs/dbraw/zinc/20/99/56/712209956.db2.gz JEZDSMPSNLUHOS-RYUDHWBXSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709130032 712209958 /nfs/dbraw/zinc/20/99/58/712209958.db2.gz JEZDSMPSNLUHOS-RYUDHWBXSA-N 2 1 228.380 1.718 20 0 BDADMP CCc1noc(C[N@H+](C)CCCCCC[NH3+])n1 ZINC000710713879 712255420 /nfs/dbraw/zinc/25/54/20/712255420.db2.gz LYYSFDJCYDNUGM-UHFFFAOYSA-N 2 1 240.351 1.583 20 0 BDADMP CCc1noc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000710713879 712255424 /nfs/dbraw/zinc/25/54/24/712255424.db2.gz LYYSFDJCYDNUGM-UHFFFAOYSA-N 2 1 240.351 1.583 20 0 BDADMP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCCCCC[NH3+] ZINC000710752257 712256585 /nfs/dbraw/zinc/25/65/85/712256585.db2.gz XZUUNQKKVPHACN-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP FC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711440265 712300708 /nfs/dbraw/zinc/30/07/08/712300708.db2.gz DBOCEWLKUXCOCZ-RYUDHWBXSA-N 2 1 242.338 1.189 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](CF)C1 ZINC000711458851 712304660 /nfs/dbraw/zinc/30/46/60/712304660.db2.gz YZDSOALUVWZOMZ-QWRGUYRKSA-N 2 1 202.317 1.651 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](CF)C1 ZINC000711458851 712304661 /nfs/dbraw/zinc/30/46/61/712304661.db2.gz YZDSOALUVWZOMZ-QWRGUYRKSA-N 2 1 202.317 1.651 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711532708 712309814 /nfs/dbraw/zinc/30/98/14/712309814.db2.gz FURCSTSUMCKTPR-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923435000 712322198 /nfs/dbraw/zinc/32/21/98/712322198.db2.gz CUNQWPPCVADDEK-MLGHIDQZSA-N 2 1 225.380 1.185 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000923480163 712334689 /nfs/dbraw/zinc/33/46/89/712334689.db2.gz WAFSBGLCEGXOLM-SNVBAGLBSA-N 2 1 223.320 1.408 20 0 BDADMP [NH3+][C@H](CC(F)F)C[NH+]1CCCCCC1 ZINC000379522664 712387071 /nfs/dbraw/zinc/38/70/71/712387071.db2.gz DNQHKUBFRSIDRQ-SECBINFHSA-N 2 1 206.280 1.845 20 0 BDADMP Cc1cc(NC[C@H]2CC[N@H+]2C)nc(C)[nH+]1 ZINC000712568947 712447053 /nfs/dbraw/zinc/44/70/53/712447053.db2.gz HJNDPEABICMGKU-SNVBAGLBSA-N 2 1 206.293 1.209 20 0 BDADMP Cc1cc(NC[C@H]2CC[N@@H+]2C)nc(C)[nH+]1 ZINC000712568947 712447054 /nfs/dbraw/zinc/44/70/54/712447054.db2.gz HJNDPEABICMGKU-SNVBAGLBSA-N 2 1 206.293 1.209 20 0 BDADMP C[N@@H+](C[C@H]1CCCC(C)(C)O1)C1CC([NH3+])C1 ZINC000714322071 712482044 /nfs/dbraw/zinc/48/20/44/712482044.db2.gz ZPYFTYGEVRJFEU-HTAVTVPLSA-N 2 1 226.364 1.756 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715560379 712528366 /nfs/dbraw/zinc/52/83/66/712528366.db2.gz BLKSOUDDHNYKOP-GFJIZPEISA-N 3 1 239.407 1.589 20 0 BDADMP C[N@@H+](CCCC(C)(F)F)CCN1CC[NH2+]CC1 ZINC000718587741 712775764 /nfs/dbraw/zinc/77/57/64/712775764.db2.gz YNNIELBOMVHIBS-UHFFFAOYSA-N 2 1 249.349 1.259 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000719780189 712824745 /nfs/dbraw/zinc/82/47/45/712824745.db2.gz UUPLATLBOLOFDM-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CC[N@@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719843974 712825548 /nfs/dbraw/zinc/82/55/48/712825548.db2.gz FUPOMYLHYUEYBW-WDEREUQCSA-N 2 1 239.388 1.602 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000720259069 712830119 /nfs/dbraw/zinc/83/01/19/712830119.db2.gz ILQBPFDXZXLASF-NSHDSACASA-N 2 1 239.363 1.756 20 0 BDADMP CC(C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720294611 712830139 /nfs/dbraw/zinc/83/01/39/712830139.db2.gz LLWWWZIDGYHMLH-NSHDSACASA-N 2 1 212.337 1.143 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CC([NH3+])C1 ZINC000720893105 712874142 /nfs/dbraw/zinc/87/41/42/712874142.db2.gz JFUIWZHVHJGWAE-ZMZXKLSGSA-N 2 1 224.348 1.366 20 0 BDADMP C[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000381389606 710632327 /nfs/dbraw/zinc/63/23/27/710632327.db2.gz MZYLZUBJAWALIE-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C1=CC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000381578970 710657300 /nfs/dbraw/zinc/65/73/00/710657300.db2.gz DNQKWBUHGTVVNQ-MELADBBJSA-N 2 1 220.360 1.884 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1CCCCCC[NH3+] ZINC000380422780 712900622 /nfs/dbraw/zinc/90/06/22/712900622.db2.gz DBSHMNQOHITQCW-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000721961592 710694748 /nfs/dbraw/zinc/69/47/48/710694748.db2.gz FJALMLZKOAYDCS-KGLIPLIRSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380457296 712900952 /nfs/dbraw/zinc/90/09/52/712900952.db2.gz PFGFEYKOQGESHS-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380457296 712900953 /nfs/dbraw/zinc/90/09/53/712900953.db2.gz PFGFEYKOQGESHS-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP OC1CC2(C[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000724987270 710753116 /nfs/dbraw/zinc/75/31/16/710753116.db2.gz UKYZPPLGLXIMGY-IGYKFCIQSA-N 2 1 236.359 1.116 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000396706583 710907469 /nfs/dbraw/zinc/90/74/69/710907469.db2.gz NISLZVCLNSWTGT-SDDRHHMPSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCSC(C)(C)C1 ZINC000133354626 710970542 /nfs/dbraw/zinc/97/05/42/710970542.db2.gz KQKSBUPIKOEMCE-MNOVXSKESA-N 2 1 228.405 1.669 20 0 BDADMP CC[N@@H+](CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000385543573 711014577 /nfs/dbraw/zinc/01/45/77/711014577.db2.gz VAZNFVRNXOFVNV-RCZQDCHWSA-N 2 1 249.402 1.057 20 0 BDADMP C[NH+](C)CCCC(C)(C)[NH2+]Cc1c[nH]cn1 ZINC000387211777 711041058 /nfs/dbraw/zinc/04/10/58/711041058.db2.gz QHWBFZXULOMAJW-UHFFFAOYSA-N 2 1 224.352 1.620 20 0 BDADMP CC(C)CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000389722033 711088190 /nfs/dbraw/zinc/08/81/90/711088190.db2.gz PRBJRRMXSHBMOV-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP O=c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc[nH]1 ZINC000392753301 711151753 /nfs/dbraw/zinc/15/17/53/711151753.db2.gz KSNBMYFPTIFMRG-OLZOCXBDSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc[nH]1 ZINC000392753301 711151755 /nfs/dbraw/zinc/15/17/55/711151755.db2.gz KSNBMYFPTIFMRG-OLZOCXBDSA-N 2 1 247.342 1.504 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCCCCCO)C1CC1 ZINC000393771297 711173396 /nfs/dbraw/zinc/17/33/96/711173396.db2.gz HGJNKCQZUAISMA-GFCCVEGCSA-N 2 1 214.353 1.256 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000396642578 711362296 /nfs/dbraw/zinc/36/22/96/711362296.db2.gz JAGQPPXZBYXTQZ-YPMHNXCESA-N 2 1 219.332 1.354 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000396575753 711355898 /nfs/dbraw/zinc/35/58/98/711355898.db2.gz CHMWCGVLROLXHD-RYUDHWBXSA-N 2 1 226.364 1.533 20 0 BDADMP CCOCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396579217 711357253 /nfs/dbraw/zinc/35/72/53/711357253.db2.gz ONUPWWFJCMVXKD-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000396592012 711358787 /nfs/dbraw/zinc/35/87/87/711358787.db2.gz UDWGPPOILZKIQZ-JGVFFNPUSA-N 2 1 242.310 1.970 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000396723138 711367946 /nfs/dbraw/zinc/36/79/46/711367946.db2.gz USIKJPICBOYDNT-PSASIEDQSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000396732379 711367989 /nfs/dbraw/zinc/36/79/89/711367989.db2.gz ZJQIUIFNHDEJAT-NEPJUHHUSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)O1 ZINC000398051046 711400588 /nfs/dbraw/zinc/40/05/88/711400588.db2.gz WEQIIWIBJAGTKL-ZIIDRAPCSA-N 2 1 236.359 1.140 20 0 BDADMP C[N@H+](CC[NH3+])CC[C@H]1CC1(Cl)Cl ZINC000399277627 711425544 /nfs/dbraw/zinc/42/55/44/711425544.db2.gz YRYASAKBIIRPAI-ZETCQYMHSA-N 2 1 211.136 1.461 20 0 BDADMP C[N@@H+](CC[NH3+])CC[C@H]1CC1(Cl)Cl ZINC000399277627 711425546 /nfs/dbraw/zinc/42/55/46/711425546.db2.gz YRYASAKBIIRPAI-ZETCQYMHSA-N 2 1 211.136 1.461 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000396642575 711362863 /nfs/dbraw/zinc/36/28/63/711362863.db2.gz JAGQPPXZBYXTQZ-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396668657 711364060 /nfs/dbraw/zinc/36/40/60/711364060.db2.gz PTYNHDWCXHOAJJ-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(C)CO ZINC000396699229 711365063 /nfs/dbraw/zinc/36/50/63/711365063.db2.gz KNZPIGFDCLPZOV-WDEREUQCSA-N 2 1 214.353 1.125 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396724968 711366692 /nfs/dbraw/zinc/36/66/92/711366692.db2.gz VLBGCECONZAXOZ-GXSJLCMTSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000397604535 711387717 /nfs/dbraw/zinc/38/77/17/711387717.db2.gz ADHNNKXICLDFDZ-SRVKXCTJSA-N 2 1 214.353 1.125 20 0 BDADMP C[NH+](C)C1(CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000397848283 711393884 /nfs/dbraw/zinc/39/38/84/711393884.db2.gz SWJAVKJPPYTUAX-UHFFFAOYSA-N 2 1 238.379 1.527 20 0 BDADMP CC1(C)CC(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000723562527 711517772 /nfs/dbraw/zinc/51/77/72/711517772.db2.gz KYWGTQJTBIFWOD-QWHCGFSZSA-N 2 1 222.376 1.964 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000723627736 711527147 /nfs/dbraw/zinc/52/71/47/711527147.db2.gz UASRZZQJTUYGSJ-GZMMTYOYSA-N 2 1 223.320 1.461 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000723627737 711527229 /nfs/dbraw/zinc/52/72/29/711527229.db2.gz UASRZZQJTUYGSJ-KCJUWKMLSA-N 2 1 223.320 1.461 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)on1 ZINC000723691784 711534210 /nfs/dbraw/zinc/53/42/10/711534210.db2.gz URUYQBNLXSKNHT-JTQLQIEISA-N 2 1 209.293 1.154 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711782 711535707 /nfs/dbraw/zinc/53/57/07/711535707.db2.gz IPJYOFKHVDUWJM-LLVKDONJSA-N 2 1 239.388 1.665 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000723713566 711536058 /nfs/dbraw/zinc/53/60/58/711536058.db2.gz STWHVPADFXCSHJ-KGLIPLIRSA-N 2 1 240.391 1.598 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000723875849 711541603 /nfs/dbraw/zinc/54/16/03/711541603.db2.gz FISYFJDJEJKXLQ-ZDUSSCGKSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000723875849 711541605 /nfs/dbraw/zinc/54/16/05/711541605.db2.gz FISYFJDJEJKXLQ-ZDUSSCGKSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000723877634 711541854 /nfs/dbraw/zinc/54/18/54/711541854.db2.gz XFQXPGWXACRGEK-OLZOCXBDSA-N 2 1 233.359 1.868 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723880166 711542466 /nfs/dbraw/zinc/54/24/66/711542466.db2.gz YKYBVMFEUVTSMW-ZDUSSCGKSA-N 2 1 233.359 1.869 20 0 BDADMP COC[C@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC000723893091 711544324 /nfs/dbraw/zinc/54/43/24/711544324.db2.gz WYIAYMUQIUBPIZ-MCIONIFRSA-N 2 1 242.407 1.822 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723901035 711544336 /nfs/dbraw/zinc/54/43/36/711544336.db2.gz MGVCNRYOYOBETI-ZYHUDNBSSA-N 2 1 249.358 1.512 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382658270 711546957 /nfs/dbraw/zinc/54/69/57/711546957.db2.gz NYKOYDRVJMWANN-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382658270 711546961 /nfs/dbraw/zinc/54/69/61/711546961.db2.gz NYKOYDRVJMWANN-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](F)CC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926484772 711612383 /nfs/dbraw/zinc/61/23/83/711612383.db2.gz DJVIPMFJPKAJBH-DCAQKATOSA-N 2 1 200.301 1.418 20 0 BDADMP C[C@H](F)CC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926484772 711612385 /nfs/dbraw/zinc/61/23/85/711612385.db2.gz DJVIPMFJPKAJBH-DCAQKATOSA-N 2 1 200.301 1.418 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000724784515 711614124 /nfs/dbraw/zinc/61/41/24/711614124.db2.gz ZEFNMOJPKHKCCQ-UHFFFAOYSA-N 2 1 222.336 1.420 20 0 BDADMP Cc1[nH]ncc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000724784515 711614127 /nfs/dbraw/zinc/61/41/27/711614127.db2.gz ZEFNMOJPKHKCCQ-UHFFFAOYSA-N 2 1 222.336 1.420 20 0 BDADMP Cc1[nH]ncc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000724784515 711614128 /nfs/dbraw/zinc/61/41/28/711614128.db2.gz ZEFNMOJPKHKCCQ-UHFFFAOYSA-N 2 1 222.336 1.420 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(C)[nH+]1 ZINC000724791557 711615292 /nfs/dbraw/zinc/61/52/92/711615292.db2.gz YIZDHLBCXFAUTD-KGLIPLIRSA-N 2 1 248.374 1.695 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(C)[nH+]1 ZINC000724791557 711615294 /nfs/dbraw/zinc/61/52/94/711615294.db2.gz YIZDHLBCXFAUTD-KGLIPLIRSA-N 2 1 248.374 1.695 20 0 BDADMP CC(F)(F)CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000718573823 711661185 /nfs/dbraw/zinc/66/11/85/711661185.db2.gz XJBIHLYXXQYNMH-WDEREUQCSA-N 2 1 232.318 1.963 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)O1 ZINC000398051045 711708529 /nfs/dbraw/zinc/70/85/29/711708529.db2.gz WEQIIWIBJAGTKL-MCKGTNQJSA-N 2 1 236.359 1.140 20 0 BDADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1CCCO1 ZINC000334979424 711719721 /nfs/dbraw/zinc/71/97/21/711719721.db2.gz HMVXTZRSVFGHRL-QWHCGFSZSA-N 2 1 224.348 1.383 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1CCCO1 ZINC000334979424 711719723 /nfs/dbraw/zinc/71/97/23/711719723.db2.gz HMVXTZRSVFGHRL-QWHCGFSZSA-N 2 1 224.348 1.383 20 0 BDADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000725661895 711759321 /nfs/dbraw/zinc/75/93/21/711759321.db2.gz BORIHAVUWLDMFI-KOLCDFICSA-N 2 1 214.378 1.409 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000925879440 711761962 /nfs/dbraw/zinc/76/19/62/711761962.db2.gz DQRJBHLWWIPZSG-RBDSIQFVSA-N 2 1 245.370 1.848 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3(O)CCCC3)CC[C@H]21 ZINC000879573337 711769949 /nfs/dbraw/zinc/76/99/49/711769949.db2.gz NSZRPQUCIBEIKW-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3(O)CCCC3)CC[C@H]21 ZINC000879573337 711769950 /nfs/dbraw/zinc/76/99/50/711769950.db2.gz NSZRPQUCIBEIKW-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(O)CCCC3)CC[C@H]21 ZINC000879573337 711769951 /nfs/dbraw/zinc/76/99/51/711769951.db2.gz NSZRPQUCIBEIKW-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP CC(C)[C@@H]([NH3+])c1noc([C@H]2CC[N@@H+](C)C2)n1 ZINC000721349929 711802976 /nfs/dbraw/zinc/80/29/76/711802976.db2.gz IPTKGSBPOAANKM-DTWKUNHWSA-N 2 1 224.308 1.145 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000160041967 711805395 /nfs/dbraw/zinc/80/53/95/711805395.db2.gz OPMVVKWSMCFQTI-SECBINFHSA-N 2 1 240.269 1.236 20 0 BDADMP COC[C@H](C[N@@H+](C)C[C@H](C)[NH3+])C(C)C ZINC000721962573 711843213 /nfs/dbraw/zinc/84/32/13/711843213.db2.gz HKAUGKIRSKGWAQ-QWRGUYRKSA-N 2 1 202.342 1.184 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700383385 711991287 /nfs/dbraw/zinc/99/12/87/711991287.db2.gz IXRPVFBVGBJIOQ-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000701950652 712033066 /nfs/dbraw/zinc/03/30/66/712033066.db2.gz KFBYTJRRWUTTNR-IVZWLZJFSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000702096650 712038922 /nfs/dbraw/zinc/03/89/22/712038922.db2.gz AYCDXHXUNAZIAC-SDDRHHMPSA-N 2 1 244.329 1.963 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)C[C@]2(C)C1 ZINC000702300217 712044175 /nfs/dbraw/zinc/04/41/75/712044175.db2.gz DGMLJBUFPNYHHJ-DYEKYZERSA-N 2 1 240.391 1.277 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C(C)(C)C)C[C@]2(C)C1 ZINC000702300217 712044177 /nfs/dbraw/zinc/04/41/77/712044177.db2.gz DGMLJBUFPNYHHJ-DYEKYZERSA-N 2 1 240.391 1.277 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C(C)(C)C)C[C@]2(C)C1 ZINC000702300217 712044178 /nfs/dbraw/zinc/04/41/78/712044178.db2.gz DGMLJBUFPNYHHJ-DYEKYZERSA-N 2 1 240.391 1.277 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000702615866 712056954 /nfs/dbraw/zinc/05/69/54/712056954.db2.gz MONBLOOXORLZIM-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703025826 712065053 /nfs/dbraw/zinc/06/50/53/712065053.db2.gz XPKTVTULRSFATP-HSBZDZAISA-N 2 1 242.407 2.000 20 0 BDADMP CC1(C)[C@H]([NH2+]CCF)[C@@H]2CCC[NH2+][C@@H]21 ZINC000703299280 712071358 /nfs/dbraw/zinc/07/13/58/712071358.db2.gz IYHHXNNWWOAGHZ-KXUCPTDWSA-N 2 1 200.301 1.322 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000703580513 712079689 /nfs/dbraw/zinc/07/96/89/712079689.db2.gz AIZJPAMEZQZLMA-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000703603704 712081843 /nfs/dbraw/zinc/08/18/43/712081843.db2.gz FLWAUWVMWVNPBE-CQLXCSJHSA-N 2 1 226.364 1.410 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000703603707 712081847 /nfs/dbraw/zinc/08/18/47/712081847.db2.gz FLWAUWVMWVNPBE-IGJPJIBNSA-N 2 1 226.364 1.410 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C)(O)CC1 ZINC000705445082 712131507 /nfs/dbraw/zinc/13/15/07/712131507.db2.gz PKNHJEPWSFTFLL-HSBZDZAISA-N 2 1 242.407 2.000 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C)(O)CC1 ZINC000705445082 712131508 /nfs/dbraw/zinc/13/15/08/712131508.db2.gz PKNHJEPWSFTFLL-HSBZDZAISA-N 2 1 242.407 2.000 20 0 BDADMP CCOC[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000705822130 712136340 /nfs/dbraw/zinc/13/63/40/712136340.db2.gz ZIPUFWFXKJUKSQ-ZDUSSCGKSA-N 2 1 244.379 1.243 20 0 BDADMP C[C@H]1CCCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000705913660 712138726 /nfs/dbraw/zinc/13/87/26/712138726.db2.gz SDEAHTUVVFLEDP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000705913657 712139181 /nfs/dbraw/zinc/13/91/81/712139181.db2.gz SDEAHTUVVFLEDP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@]1(C)COCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000707325253 712167472 /nfs/dbraw/zinc/16/74/72/712167472.db2.gz DVHREHSQOWQELL-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000708080682 712181177 /nfs/dbraw/zinc/18/11/77/712181177.db2.gz BINNJIXDTLLJEG-BJJPWKGXSA-N 2 1 238.375 1.471 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000708347563 712190170 /nfs/dbraw/zinc/19/01/70/712190170.db2.gz JQQPAVHQDURORB-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681289 712215175 /nfs/dbraw/zinc/21/51/75/712215175.db2.gz BBOUTSAKQSOYBG-RYUDHWBXSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681289 712215176 /nfs/dbraw/zinc/21/51/76/712215176.db2.gz BBOUTSAKQSOYBG-RYUDHWBXSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1[NH3+] ZINC000709695123 712216034 /nfs/dbraw/zinc/21/60/34/712216034.db2.gz BYHNRJXVVNKKOP-IJLUTSLNSA-N 2 1 240.391 1.859 20 0 BDADMP C[NH2+]CCC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709629928 712225607 /nfs/dbraw/zinc/22/56/07/712225607.db2.gz NYTXFMQHUPTMNG-SECBINFHSA-N 2 1 224.270 1.870 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709629928 712225608 /nfs/dbraw/zinc/22/56/08/712225608.db2.gz NYTXFMQHUPTMNG-SECBINFHSA-N 2 1 224.270 1.870 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccnc1)C2 ZINC000709820124 712228053 /nfs/dbraw/zinc/22/80/53/712228053.db2.gz ARNBQOAPABJMRA-AVGNSLFASA-N 2 1 217.316 1.393 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccn1)C2 ZINC000709823636 712228624 /nfs/dbraw/zinc/22/86/24/712228624.db2.gz RJWXCZYQTAWBKH-GVXVVHGQSA-N 2 1 217.316 1.393 20 0 BDADMP Cc1cnc(C[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000710806144 712257494 /nfs/dbraw/zinc/25/74/94/712257494.db2.gz YPLOFQKGIWCMLO-UHFFFAOYSA-N 2 1 236.363 1.736 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000711106659 712280933 /nfs/dbraw/zinc/28/09/33/712280933.db2.gz GULXXJZBNJRJTB-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP FC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000711446219 712300571 /nfs/dbraw/zinc/30/05/71/712300571.db2.gz WCXUGARCEQDYKP-RYUDHWBXSA-N 2 1 214.328 1.668 20 0 BDADMP FC[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711452127 712302569 /nfs/dbraw/zinc/30/25/69/712302569.db2.gz FWHKGUFRILZUTO-WODVXLOZSA-N 2 1 226.339 1.808 20 0 BDADMP C([N@H+]1C[C@@H]2CSC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000711532194 712310028 /nfs/dbraw/zinc/31/00/28/712310028.db2.gz DCZOZXFWSVNOJT-WSVSKBAQSA-N 2 1 224.373 1.033 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711544274 712310599 /nfs/dbraw/zinc/31/05/99/712310599.db2.gz IPEUFAJXNAFHMA-SDDRHHMPSA-N 2 1 226.389 1.281 20 0 BDADMP CC[C@H]1C[N@@H+](CCOC2CC2)CC[C@H]1[NH3+] ZINC000711731109 712319811 /nfs/dbraw/zinc/31/98/11/712319811.db2.gz MAERFDKLNGBMDP-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712581727 712433447 /nfs/dbraw/zinc/43/34/47/712433447.db2.gz NSJVOPDBIAWRDN-BFHYXJOUSA-N 2 1 237.391 1.297 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000712581727 712433449 /nfs/dbraw/zinc/43/34/49/712433449.db2.gz NSJVOPDBIAWRDN-BFHYXJOUSA-N 2 1 237.391 1.297 20 0 BDADMP CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712581727 712433454 /nfs/dbraw/zinc/43/34/54/712433454.db2.gz NSJVOPDBIAWRDN-BFHYXJOUSA-N 2 1 237.391 1.297 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)CC1 ZINC000712610861 712437639 /nfs/dbraw/zinc/43/76/39/712437639.db2.gz SQDQDAAMQSMBQV-ZDUSSCGKSA-N 2 1 241.423 1.776 20 0 BDADMP C[N@H+]1CCN(CC23CC(C2)C[NH2+]3)CCC1(C)C ZINC000712623561 712438601 /nfs/dbraw/zinc/43/86/01/712438601.db2.gz WPVJMTJIOVUVAV-UHFFFAOYSA-N 2 1 237.391 1.155 20 0 BDADMP C(C[N@H+]1CCC[NH2+]CC1)[C@@H]1C[C@H]1C1CC1 ZINC000712666955 712439527 /nfs/dbraw/zinc/43/95/27/712439527.db2.gz JYHKVVBJERJEPC-OLZOCXBDSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1cc(N2CC[N@H+](C)C(C)(C)CC2)nc(N)[nH+]1 ZINC000712667912 712440044 /nfs/dbraw/zinc/44/00/44/712440044.db2.gz DHIBSOUGBVNFQV-UHFFFAOYSA-N 2 1 249.362 1.288 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000714794618 712498608 /nfs/dbraw/zinc/49/86/08/712498608.db2.gz WCPQCYKRWADRLK-LJMKDGOPSA-N 2 1 220.360 1.846 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000714794618 712498609 /nfs/dbraw/zinc/49/86/09/712498609.db2.gz WCPQCYKRWADRLK-LJMKDGOPSA-N 2 1 220.360 1.846 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715411966 712517976 /nfs/dbraw/zinc/51/79/76/712517976.db2.gz BICGWPMYHIIQQE-UONOGXRCSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715493404 712523367 /nfs/dbraw/zinc/52/33/67/712523367.db2.gz BXFCQEHIFDGKGC-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715513105 712524970 /nfs/dbraw/zinc/52/49/70/712524970.db2.gz YTCNVWDOIGEMTA-KBPBESRZSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715513109 712524982 /nfs/dbraw/zinc/52/49/82/712524982.db2.gz YTCNVWDOIGEMTA-ZIAGYGMSSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000716545510 712567671 /nfs/dbraw/zinc/56/76/71/712567671.db2.gz LKHWORYDGPUXDS-MHDGFBEUSA-N 2 1 222.376 1.962 20 0 BDADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1(O)CCCC1 ZINC000717434091 712657766 /nfs/dbraw/zinc/65/77/66/712657766.db2.gz YVCXNMXFYSKTJU-QWHCGFSZSA-N 2 1 238.375 1.460 20 0 BDADMP CNc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ncn1 ZINC000159206365 712722721 /nfs/dbraw/zinc/72/27/21/712722721.db2.gz FNBZOLTZMBGPNV-NXEZZACHSA-N 2 1 235.335 1.413 20 0 BDADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717955149 712734733 /nfs/dbraw/zinc/73/47/33/712734733.db2.gz YQQSQUYPRTXUGH-RFGFWPKPSA-N 2 1 237.391 1.282 20 0 BDADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000719649013 712820752 /nfs/dbraw/zinc/82/07/52/712820752.db2.gz SDOPBEGBXYCUBE-JSGCOSHPSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(C)[C@H]2C)CC1 ZINC000719649013 712820753 /nfs/dbraw/zinc/82/07/53/712820753.db2.gz SDOPBEGBXYCUBE-JSGCOSHPSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000719829705 712823808 /nfs/dbraw/zinc/82/38/08/712823808.db2.gz CFOKNPCSPWMWIG-VHSXEESVSA-N 2 1 225.361 1.355 20 0 BDADMP C[N@H+](CCc1ccns1)C1CC[NH2+]CC1 ZINC000719832829 712823892 /nfs/dbraw/zinc/82/38/92/712823892.db2.gz PTJNXXKWHROHFC-UHFFFAOYSA-N 2 1 225.361 1.369 20 0 BDADMP C[N@@H+](CCc1ccns1)C1CC[NH2+]CC1 ZINC000719832829 712823893 /nfs/dbraw/zinc/82/38/93/712823893.db2.gz PTJNXXKWHROHFC-UHFFFAOYSA-N 2 1 225.361 1.369 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1ccns1 ZINC000719846465 712825976 /nfs/dbraw/zinc/82/59/76/712825976.db2.gz PURVMFSMVDEQED-LBPRGKRZSA-N 2 1 241.404 1.991 20 0 BDADMP C1CCC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000720143189 712827675 /nfs/dbraw/zinc/82/76/75/712827675.db2.gz PAJDQFBOQRYMHX-CYBMUJFWSA-N 2 1 238.375 1.677 20 0 BDADMP CCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720145228 712827814 /nfs/dbraw/zinc/82/78/14/712827814.db2.gz WBHBHZYZMQHVDI-CHWSQXEVSA-N 2 1 240.391 1.923 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000720259063 712830349 /nfs/dbraw/zinc/83/03/49/712830349.db2.gz ILQBPFDXZXLASF-LLVKDONJSA-N 2 1 239.363 1.756 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2nocc2C)CC1 ZINC000720380819 712837120 /nfs/dbraw/zinc/83/71/20/712837120.db2.gz VPHPVZODTFPJFX-UHFFFAOYSA-N 2 1 223.320 1.414 20 0 BDADMP C[NH2+]CC[N@H+](CCCOC(F)(F)F)C(C)C ZINC000720775591 712864645 /nfs/dbraw/zinc/86/46/45/712864645.db2.gz RYEGOSWMHIOBJW-UHFFFAOYSA-N 2 1 242.285 1.843 20 0 BDADMP C[NH2+]CC[N@@H+](CCCOC(F)(F)F)C(C)C ZINC000720775591 712864646 /nfs/dbraw/zinc/86/46/46/712864646.db2.gz RYEGOSWMHIOBJW-UHFFFAOYSA-N 2 1 242.285 1.843 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)O1 ZINC000720862890 712871252 /nfs/dbraw/zinc/87/12/52/712871252.db2.gz VUXFYJLPHDEXQB-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000720890476 712875305 /nfs/dbraw/zinc/87/53/05/712875305.db2.gz MBRLOUQWEOILJQ-BFHYXJOUSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2CCC[NH2+]C1CC1 ZINC000720902962 712875905 /nfs/dbraw/zinc/87/59/05/712875905.db2.gz WCZKQGTYLOIHJB-KGLIPLIRSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000396846566 957304140 /nfs/dbraw/zinc/30/41/40/957304140.db2.gz HFXUGKKAWDBNAZ-UTUOFQBUSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000396846566 957304146 /nfs/dbraw/zinc/30/41/46/957304146.db2.gz HFXUGKKAWDBNAZ-UTUOFQBUSA-N 2 1 226.364 1.484 20 0 BDADMP C[N@H+]1CC[C@H](Nc2ccccc2CC[NH3+])C1 ZINC001167278236 957624455 /nfs/dbraw/zinc/62/44/55/957624455.db2.gz DAZQXKOLUXSMKC-LBPRGKRZSA-N 2 1 219.332 1.304 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000399005459 958486676 /nfs/dbraw/zinc/48/66/76/958486676.db2.gz XMDMTBXMPKCQHN-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C[NH2+]1 ZINC000399023069 958480011 /nfs/dbraw/zinc/48/00/11/958480011.db2.gz FXMIMXPHYXFWCZ-FVCCEPFGSA-N 2 1 226.364 1.268 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000690739031 958857659 /nfs/dbraw/zinc/85/76/59/958857659.db2.gz PNJACEKVABQERE-VIFPVBQESA-N 2 1 211.334 1.314 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000724785460 959516071 /nfs/dbraw/zinc/51/60/71/959516071.db2.gz CTYWEOVFEYISOY-NSHDSACASA-N 2 1 222.336 1.279 20 0 BDADMP COc1ccc(NC(=[NH2+])SCC[NH3+])cn1 ZINC001167914590 961100635 /nfs/dbraw/zinc/10/06/35/961100635.db2.gz WNZOTIHPXLGBNH-UHFFFAOYSA-N 2 1 226.305 1.129 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCOCC1 ZINC000710454343 962382349 /nfs/dbraw/zinc/38/23/49/962382349.db2.gz LTUJFPWQXNYCQW-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695736682 965074290 /nfs/dbraw/zinc/07/42/90/965074290.db2.gz HACZQHRNXNTYPW-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC001236169884 966282493 /nfs/dbraw/zinc/28/24/93/966282493.db2.gz POICTPSCWZUSBC-WDEREUQCSA-N 2 1 212.337 1.225 20 0 BDADMP CCOC(=O)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715584736 967193845 /nfs/dbraw/zinc/19/38/45/967193845.db2.gz QWCNPDDPJHNGBY-UNXYVOJBSA-N 2 1 242.363 1.400 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1C ZINC001205141206 967388988 /nfs/dbraw/zinc/38/89/88/967388988.db2.gz YKRPDZFODAMQCN-CMPLNLGQSA-N 2 1 221.348 1.658 20 0 BDADMP COCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255875 967446093 /nfs/dbraw/zinc/44/60/93/967446093.db2.gz MMAHKLNPYRMUMI-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CC1(C)OC[C@H](C[N@H+]2CCC[C@@](C)([NH3+])CC2)O1 ZINC001205257143 967446212 /nfs/dbraw/zinc/44/62/12/967446212.db2.gz SPEGNEQWEGMLSC-WCQYABFASA-N 2 1 242.363 1.341 20 0 BDADMP CC(C)[N@@H+](CCCCO)[C@@H]1CCC[NH2+]CC1 ZINC001206581558 968401012 /nfs/dbraw/zinc/40/10/12/968401012.db2.gz KFAZPPOFHPRLOF-CYBMUJFWSA-N 2 1 228.380 1.611 20 0 BDADMP CCCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001252113365 968600104 /nfs/dbraw/zinc/60/01/04/968600104.db2.gz YPWFWTUZZZVAHP-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CO ZINC001207274739 968705115 /nfs/dbraw/zinc/70/51/15/968705115.db2.gz FWSXJTQGQWNEEP-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@@H+](CC(C)(C)C[NH+](C)C)C[C@H]12 ZINC001207283099 968719292 /nfs/dbraw/zinc/71/92/92/968719292.db2.gz RNNQRBWGDFYJHH-JHJVBQTASA-N 2 1 240.391 1.541 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCC1=O ZINC001207391620 968747304 /nfs/dbraw/zinc/74/73/04/968747304.db2.gz JGJNRZYVVFAKMB-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1CC(=O)CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207436580 968768204 /nfs/dbraw/zinc/76/82/04/968768204.db2.gz OQEBOHSPBVZYRZ-JTQLQIEISA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1CC(=O)CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207436581 968769821 /nfs/dbraw/zinc/76/98/21/968769821.db2.gz OQEBOHSPBVZYRZ-SNVBAGLBSA-N 2 1 210.321 1.039 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCCC23COC3)CC1 ZINC001207484909 968798372 /nfs/dbraw/zinc/79/83/72/968798372.db2.gz OLUCNIULUVJBIE-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[N@H+]1C ZINC001207861768 968908990 /nfs/dbraw/zinc/90/89/90/968908990.db2.gz HQWIWPUHCWDLNV-OBPIAQAESA-N 2 1 224.348 1.379 20 0 BDADMP CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252789039 968965236 /nfs/dbraw/zinc/96/52/36/968965236.db2.gz GYBHPTXQZSREBJ-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001252789039 968965245 /nfs/dbraw/zinc/96/52/45/968965245.db2.gz GYBHPTXQZSREBJ-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001252789039 968965251 /nfs/dbraw/zinc/96/52/51/968965251.db2.gz GYBHPTXQZSREBJ-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001252808004 968995813 /nfs/dbraw/zinc/99/58/13/968995813.db2.gz AVFVVQZLFSRJTQ-RDBSUJKOSA-N 2 1 242.407 1.856 20 0 BDADMP CC[NH+]1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208104323 969002775 /nfs/dbraw/zinc/00/27/75/969002775.db2.gz LPIDOUQPCAGLAY-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CN(C)C1(C)C[NH+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208114590 969005047 /nfs/dbraw/zinc/00/50/47/969005047.db2.gz ZCGNJXOFYFXEPI-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208105713 969002883 /nfs/dbraw/zinc/00/28/83/969002883.db2.gz BDHZMXJATPJLMR-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253185359 969100871 /nfs/dbraw/zinc/10/08/71/969100871.db2.gz FXAADIBSANZMMY-WUHRBBMRSA-N 2 1 244.354 1.121 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253185359 969100878 /nfs/dbraw/zinc/10/08/78/969100878.db2.gz FXAADIBSANZMMY-WUHRBBMRSA-N 2 1 244.354 1.121 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(COC3)C2)C1 ZINC001208608205 969147733 /nfs/dbraw/zinc/14/77/33/969147733.db2.gz RVGCNAGISKYXTQ-LBPRGKRZSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC3(COC3)C2)C1 ZINC001208608205 969147744 /nfs/dbraw/zinc/14/77/44/969147744.db2.gz RVGCNAGISKYXTQ-LBPRGKRZSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC3(COC3)C2)C1 ZINC001208608205 969147749 /nfs/dbraw/zinc/14/77/49/969147749.db2.gz RVGCNAGISKYXTQ-LBPRGKRZSA-N 2 1 224.348 1.051 20 0 BDADMP CC[NH+]1CCC(C[NH+]2CC(C)(N(C)C)C2)CC1 ZINC001208598807 969149967 /nfs/dbraw/zinc/14/99/67/969149967.db2.gz YKKVKULKZYBWFZ-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCOC)CC1 ZINC001208592820 969150590 /nfs/dbraw/zinc/15/05/90/969150590.db2.gz DHWNZBXDMIHFSN-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(F)CC2)C1 ZINC001208604497 969157040 /nfs/dbraw/zinc/15/70/40/969157040.db2.gz PIDXYPMOBBRYKF-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CC[C@]1(C)O ZINC001208606814 969163449 /nfs/dbraw/zinc/16/34/49/969163449.db2.gz HDAPWXVGCMFYGD-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CC[C@]1(C)O ZINC001208606814 969163457 /nfs/dbraw/zinc/16/34/57/969163457.db2.gz HDAPWXVGCMFYGD-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CC[C@]1(C)O ZINC001208606814 969163460 /nfs/dbraw/zinc/16/34/60/969163460.db2.gz HDAPWXVGCMFYGD-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000383679740 969181027 /nfs/dbraw/zinc/18/10/27/969181027.db2.gz QLRYSIHGMUGSNX-GFCCVEGCSA-N 2 1 237.347 1.852 20 0 BDADMP CCC[N@@H+](CCCOCOC)CCC[NH+](C)C ZINC001209031617 969325401 /nfs/dbraw/zinc/32/54/01/969325401.db2.gz MMKTUGSYLYOQJQ-UHFFFAOYSA-N 2 1 246.395 1.661 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCOC1)C2 ZINC001169092267 969413154 /nfs/dbraw/zinc/41/31/54/969413154.db2.gz AXVDXSJFWAVAJL-ZDEQEGDKSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CO)CCC1)C2 ZINC001169108064 969447561 /nfs/dbraw/zinc/44/75/61/969447561.db2.gz NTNIONUHYMWIKE-ZSBIGDGJSA-N 2 1 224.348 1.116 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H](C)[C@@H]2CO)CC1 ZINC001169245526 969535811 /nfs/dbraw/zinc/53/58/11/969535811.db2.gz GVQKUCWCVBUHMB-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CCC1([NH2+][C@H]2CCC[N@H+](C)CC2)COC1 ZINC001254503808 969664267 /nfs/dbraw/zinc/66/42/67/969664267.db2.gz PNQJYZHWXYQLBG-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP CCC1([NH2+][C@H]2CCC[N@@H+](C)CC2)COC1 ZINC001254503808 969664284 /nfs/dbraw/zinc/66/42/84/969664284.db2.gz PNQJYZHWXYQLBG-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(F)CC2)CC1 ZINC001254516281 969687039 /nfs/dbraw/zinc/68/70/39/969687039.db2.gz LMZJGVJBJFNTOQ-GFCCVEGCSA-N 2 1 214.328 1.905 20 0 BDADMP CO[C@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254521208 969694981 /nfs/dbraw/zinc/69/49/81/969694981.db2.gz SRXBZFDWFVMERN-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254521208 969694988 /nfs/dbraw/zinc/69/49/88/969694988.db2.gz SRXBZFDWFVMERN-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254521208 969694996 /nfs/dbraw/zinc/69/49/96/969694996.db2.gz SRXBZFDWFVMERN-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001254517714 969700219 /nfs/dbraw/zinc/70/02/19/969700219.db2.gz YEVYYQGGGXSINN-UPJWGTAASA-N 2 1 224.348 1.334 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001254517714 969700226 /nfs/dbraw/zinc/70/02/26/969700226.db2.gz YEVYYQGGGXSINN-UPJWGTAASA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001254517714 969700234 /nfs/dbraw/zinc/70/02/34/969700234.db2.gz YEVYYQGGGXSINN-UPJWGTAASA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001254517714 969700247 /nfs/dbraw/zinc/70/02/47/969700247.db2.gz YEVYYQGGGXSINN-UPJWGTAASA-N 2 1 224.348 1.334 20 0 BDADMP C[NH2+]CCN([C@@H]1CCC[N@@H+](C)CC1)C(C)(C)C ZINC001254528749 969716355 /nfs/dbraw/zinc/71/63/55/969716355.db2.gz AAABMFORSAPHQY-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP CSCC[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254528763 969720545 /nfs/dbraw/zinc/72/05/45/969720545.db2.gz AEBBVZWFUBOMIW-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP CSCC[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254528763 969720548 /nfs/dbraw/zinc/72/05/48/969720548.db2.gz AEBBVZWFUBOMIW-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP CSCC[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254528763 969720551 /nfs/dbraw/zinc/72/05/51/969720551.db2.gz AEBBVZWFUBOMIW-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CCC[NH+](C)CC2)C[C@H]1C ZINC001254531067 969725861 /nfs/dbraw/zinc/72/58/61/969725861.db2.gz CGUSYSOIRLBPEV-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@H+](C)CC2)C[C@H]1C ZINC001254531067 969725868 /nfs/dbraw/zinc/72/58/68/969725868.db2.gz CGUSYSOIRLBPEV-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)CC2)C[C@H]1C ZINC001254531067 969725876 /nfs/dbraw/zinc/72/58/76/969725876.db2.gz CGUSYSOIRLBPEV-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP COC[C@@H]1CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254534235 969727706 /nfs/dbraw/zinc/72/77/06/969727706.db2.gz UWVQFITZLMXOCY-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254534235 969727710 /nfs/dbraw/zinc/72/77/10/969727710.db2.gz UWVQFITZLMXOCY-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254534235 969727719 /nfs/dbraw/zinc/72/77/19/969727719.db2.gz UWVQFITZLMXOCY-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255292672 970055022 /nfs/dbraw/zinc/05/50/22/970055022.db2.gz HULZVRPQVCRDOR-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255292672 970055027 /nfs/dbraw/zinc/05/50/27/970055027.db2.gz HULZVRPQVCRDOR-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255292672 970055033 /nfs/dbraw/zinc/05/50/33/970055033.db2.gz HULZVRPQVCRDOR-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP CCCC[NH+]1CCN([C@@H]2CC[N@@H+](C)C2)CC1 ZINC001255436748 970164278 /nfs/dbraw/zinc/16/42/78/970164278.db2.gz ULXQOCUBDQOYNL-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2CC[NH+](C)C2)C1 ZINC001255441038 970168956 /nfs/dbraw/zinc/16/89/56/970168956.db2.gz KFUROTQXKMMROZ-OLZOCXBDSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2CC[N@H+](C)C2)C1 ZINC001255441038 970168963 /nfs/dbraw/zinc/16/89/63/970168963.db2.gz KFUROTQXKMMROZ-OLZOCXBDSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2CC[N@@H+](C)C2)C1 ZINC001255441038 970168970 /nfs/dbraw/zinc/16/89/70/970168970.db2.gz KFUROTQXKMMROZ-OLZOCXBDSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)N(CCC[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC001255468903 970196244 /nfs/dbraw/zinc/19/62/44/970196244.db2.gz ZMMMLPYLDFADAU-GFCCVEGCSA-N 2 1 213.369 1.140 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)NC1C[NH+](C(C)C)C1 ZINC001255945034 970576178 /nfs/dbraw/zinc/57/61/78/970576178.db2.gz JAEBJMWDIFKKSE-CYBMUJFWSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](O)CC1 ZINC001255956031 970593056 /nfs/dbraw/zinc/59/30/56/970593056.db2.gz GBFKHZTWRLHYJE-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](CO)C1 ZINC001255960550 970601602 /nfs/dbraw/zinc/60/16/02/970601602.db2.gz IKIXHNNCCCODGK-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+](C)CCCCC[NH2+]C1CC[NH+](C)CC1 ZINC001256194444 970685437 /nfs/dbraw/zinc/68/54/37/970685437.db2.gz ALQTWHUHNPZFES-UHFFFAOYSA-N 3 1 227.396 1.402 20 0 BDADMP CC(C)OC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256207240 970710087 /nfs/dbraw/zinc/71/00/87/970710087.db2.gz DKNDHEOUWKHGNW-UHFFFAOYSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C(C)C)C(C)(C)C[NH3+])C1 ZINC001173357636 975320006 /nfs/dbraw/zinc/32/00/06/975320006.db2.gz PYWYRUQYKSVYEM-GFCCVEGCSA-N 2 1 227.396 1.528 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335350880 976986311 /nfs/dbraw/zinc/98/63/11/976986311.db2.gz LHPYEWRMZGMFLX-WCQYABFASA-N 2 1 226.364 1.077 20 0 BDADMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CC2)C1(C)C ZINC001335469588 977080496 /nfs/dbraw/zinc/08/04/96/977080496.db2.gz NSQQIWKXBVMAFR-QJPTWQEYSA-N 2 1 226.364 1.076 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422811 979041758 /nfs/dbraw/zinc/04/17/58/979041758.db2.gz DRDVCCMZTYEAFB-ZIAGYGMSSA-N 3 1 239.407 1.437 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CNC(C)(C)O2)C1 ZINC001235950075 979223421 /nfs/dbraw/zinc/22/34/21/979223421.db2.gz NORIFHWVAFXAMA-NEPJUHHUSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001236043972 979334596 /nfs/dbraw/zinc/33/45/96/979334596.db2.gz HHANUNQMWIRZMF-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001236158519 979413042 /nfs/dbraw/zinc/41/30/42/979413042.db2.gz QJFXDJXUJUOWAX-UHFFFAOYSA-N 2 1 239.750 1.832 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@@H]2CN)c1 ZINC001236251704 979472694 /nfs/dbraw/zinc/47/26/94/979472694.db2.gz YTZLADPOHGKLOI-LLVKDONJSA-N 2 1 221.304 1.019 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2CCC[C@@H]2CN)c1 ZINC001236251704 979472702 /nfs/dbraw/zinc/47/27/02/979472702.db2.gz YTZLADPOHGKLOI-LLVKDONJSA-N 2 1 221.304 1.019 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCO)C2CCCCC2)CC1 ZINC001236565512 979639777 /nfs/dbraw/zinc/63/97/77/979639777.db2.gz IQLMWRHTGJZODN-MQMHXKEQSA-N 2 1 240.391 1.883 20 0 BDADMP COC(=O)[C@H]1CCC[N@@H+](CCCC[NH3+])CC1 ZINC001237057587 979812637 /nfs/dbraw/zinc/81/26/37/979812637.db2.gz NUGWIZMRYYGOLX-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP COCOCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382681 979878248 /nfs/dbraw/zinc/87/82/48/979878248.db2.gz MQLUFTOJYLTRSW-OLZOCXBDSA-N 2 1 242.363 1.071 20 0 BDADMP COCOCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382681 979878251 /nfs/dbraw/zinc/87/82/51/979878251.db2.gz MQLUFTOJYLTRSW-OLZOCXBDSA-N 2 1 242.363 1.071 20 0 BDADMP Cc1cc(N)ncc1CCn1ccnc1 ZINC001250318900 980756204 /nfs/dbraw/zinc/75/62/04/980756204.db2.gz LKUJTNAMLWGSOA-UHFFFAOYSA-N 2 1 202.261 1.411 20 0 BDADMP C[N@H+]1CCC=C(c2cc(C[NH3+])ccn2)C1 ZINC001241565033 982807150 /nfs/dbraw/zinc/80/71/50/982807150.db2.gz FVCYGHCJOLNSMR-UHFFFAOYSA-N 2 1 203.289 1.259 20 0 BDADMP CC[C@H](C)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201521612 983317355 /nfs/dbraw/zinc/31/73/55/983317355.db2.gz WBKUUKSZGFZTCD-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201521612 983317361 /nfs/dbraw/zinc/31/73/61/983317361.db2.gz WBKUUKSZGFZTCD-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201521612 983317364 /nfs/dbraw/zinc/31/73/64/983317364.db2.gz WBKUUKSZGFZTCD-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201626896 983380065 /nfs/dbraw/zinc/38/00/65/983380065.db2.gz NDUICJLTMRCZSB-CHWSQXEVSA-N 2 1 210.365 1.916 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001172430618 974712560 /nfs/dbraw/zinc/71/25/60/974712560.db2.gz HVANLNBWCSDLOG-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CCOCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001172430618 974712565 /nfs/dbraw/zinc/71/25/65/974712565.db2.gz HVANLNBWCSDLOG-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CCOCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001172430618 974712572 /nfs/dbraw/zinc/71/25/72/974712572.db2.gz HVANLNBWCSDLOG-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172452551 974817305 /nfs/dbraw/zinc/81/73/05/974817305.db2.gz ALPPTQMCRANNRR-MELADBBJSA-N 2 1 240.391 1.683 20 0 BDADMP CC(C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172452551 974817308 /nfs/dbraw/zinc/81/73/08/974817308.db2.gz ALPPTQMCRANNRR-MELADBBJSA-N 2 1 240.391 1.683 20 0 BDADMP CC(C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172452551 974817312 /nfs/dbraw/zinc/81/73/12/974817312.db2.gz ALPPTQMCRANNRR-MELADBBJSA-N 2 1 240.391 1.683 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@H](N)C1 ZINC001172456957 974821546 /nfs/dbraw/zinc/82/15/46/974821546.db2.gz KINPKVSBQSCXEO-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@H](N)C1 ZINC001172456957 974821552 /nfs/dbraw/zinc/82/15/52/974821552.db2.gz KINPKVSBQSCXEO-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172456957 974821557 /nfs/dbraw/zinc/82/15/57/974821557.db2.gz KINPKVSBQSCXEO-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172456957 974821560 /nfs/dbraw/zinc/82/15/60/974821560.db2.gz KINPKVSBQSCXEO-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172457521 974821625 /nfs/dbraw/zinc/82/16/25/974821625.db2.gz PRNJHWHIUASIQL-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP CC[C@H]1C[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCO1 ZINC001246541477 972563378 /nfs/dbraw/zinc/56/33/78/972563378.db2.gz LSBPDULUYBABJV-RNJOBUHISA-N 2 1 226.364 1.471 20 0 BDADMP Cc1coc(C[NH+]2CCC(F)(C[NH3+])CC2)n1 ZINC001222553204 972563513 /nfs/dbraw/zinc/56/35/13/972563513.db2.gz PHVBKYVTSAXATL-UHFFFAOYSA-N 2 1 227.283 1.246 20 0 BDADMP C[C@@H]1CC([N@@H+]2CCCC[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246580927 972943299 /nfs/dbraw/zinc/94/32/99/972943299.db2.gz JATWVJVGCRILGM-UPJWGTAASA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1CC([N@H+]2CCCC[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246580927 972943306 /nfs/dbraw/zinc/94/33/06/972943306.db2.gz JATWVJVGCRILGM-UPJWGTAASA-N 3 1 239.407 1.576 20 0 BDADMP FC1(F)C[C@@]12CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246810502 973114299 /nfs/dbraw/zinc/11/42/99/973114299.db2.gz XAJLXPWBBSRUEC-SNVBAGLBSA-N 2 1 216.275 1.470 20 0 BDADMP CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246835704 973128797 /nfs/dbraw/zinc/12/87/97/973128797.db2.gz LWXBNXFDFBNIKN-AGIUHOORSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246835704 973128809 /nfs/dbraw/zinc/12/88/09/973128809.db2.gz LWXBNXFDFBNIKN-AGIUHOORSA-N 2 1 226.364 1.484 20 0 BDADMP C[N@@H+]1CCC12CN(CCC1CC[NH+](C)CC1)C2 ZINC001276725550 970801150 /nfs/dbraw/zinc/80/11/50/970801150.db2.gz AJBAUXGJIZAZSS-UHFFFAOYSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@H+]1CCC12CN(CCC1CC[NH+](C)CC1)C2 ZINC001276725550 970801154 /nfs/dbraw/zinc/80/11/54/970801154.db2.gz AJBAUXGJIZAZSS-UHFFFAOYSA-N 2 1 237.391 1.108 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccccn1 ZINC001256396475 970802407 /nfs/dbraw/zinc/80/24/07/970802407.db2.gz FLFVFBFOLRDAHW-LLVKDONJSA-N 2 1 244.342 1.891 20 0 BDADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@](C)(O)C2)CC1 ZINC001256569915 970868788 /nfs/dbraw/zinc/86/87/88/970868788.db2.gz RYNYHWISYQYMQV-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569820 970868896 /nfs/dbraw/zinc/86/88/96/970868896.db2.gz PJTZJJGNRMKNCU-YPMHNXCESA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623756 970891608 /nfs/dbraw/zinc/89/16/08/970891608.db2.gz RDBVKLTVUXYCJP-VKYHIEHISA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623756 970891612 /nfs/dbraw/zinc/89/16/12/970891612.db2.gz RDBVKLTVUXYCJP-VKYHIEHISA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256623756 970891615 /nfs/dbraw/zinc/89/16/15/970891615.db2.gz RDBVKLTVUXYCJP-VKYHIEHISA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256623756 970891616 /nfs/dbraw/zinc/89/16/16/970891616.db2.gz RDBVKLTVUXYCJP-VKYHIEHISA-N 2 1 224.348 1.067 20 0 BDADMP Cc1cccc(N2CC3(C2)CC[N@@H+](C)C3)[nH+]1 ZINC001276981326 973777190 /nfs/dbraw/zinc/77/71/90/973777190.db2.gz YGRKKJGXPINMDJ-UHFFFAOYSA-N 2 1 217.316 1.532 20 0 BDADMP Cc1cccc(N2CC3(C2)CC[N@H+](C)C3)[nH+]1 ZINC001276981326 973777197 /nfs/dbraw/zinc/77/71/97/973777197.db2.gz YGRKKJGXPINMDJ-UHFFFAOYSA-N 2 1 217.316 1.532 20 0 BDADMP CC[N@H+]1CCC[C@@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224704613 973874958 /nfs/dbraw/zinc/87/49/58/973874958.db2.gz BFEMNGPQMXGTKO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC[C@@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224704613 973874961 /nfs/dbraw/zinc/87/49/61/973874961.db2.gz BFEMNGPQMXGTKO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC[C@@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224704613 973874966 /nfs/dbraw/zinc/87/49/66/973874966.db2.gz BFEMNGPQMXGTKO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC(=O)C2)CC1 ZINC001257209911 971126506 /nfs/dbraw/zinc/12/65/06/971126506.db2.gz CLGZTTYXSOTKFD-CYBMUJFWSA-N 2 1 238.375 1.961 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001257214006 971130719 /nfs/dbraw/zinc/13/07/19/971130719.db2.gz YOMKAVVHUFNDMB-OLZOCXBDSA-N 2 1 244.354 1.264 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001257214006 971130726 /nfs/dbraw/zinc/13/07/26/971130726.db2.gz YOMKAVVHUFNDMB-OLZOCXBDSA-N 2 1 244.354 1.264 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001257222221 971132151 /nfs/dbraw/zinc/13/21/51/971132151.db2.gz XSYDNUKHBSSEQG-GXTWGEPZSA-N 2 1 238.375 1.580 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001257222221 971132157 /nfs/dbraw/zinc/13/21/57/971132157.db2.gz XSYDNUKHBSSEQG-GXTWGEPZSA-N 2 1 238.375 1.580 20 0 BDADMP CC[N@H+]1CCCN(c2cc(N)cc[nH+]2)CC1 ZINC000307788176 971177246 /nfs/dbraw/zinc/17/72/46/971177246.db2.gz TUWCTKUIPZBFOE-UHFFFAOYSA-N 2 1 220.320 1.196 20 0 BDADMP CCC[C@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001257307166 971197772 /nfs/dbraw/zinc/19/77/72/971197772.db2.gz FAJQJFKQJOTUKL-WDEREUQCSA-N 2 1 230.352 1.435 20 0 BDADMP C[C@H](Nc1[nH+]ccc2cc[nH]c21)[C@@H]1C[NH2+]CCO1 ZINC001170571448 971215385 /nfs/dbraw/zinc/21/53/85/971215385.db2.gz MOAUOYGCSYWBGZ-ONGXEEELSA-N 2 1 246.314 1.352 20 0 BDADMP Cc1ncsc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405223350 971215558 /nfs/dbraw/zinc/21/55/58/971215558.db2.gz BUWJOFBXMMRBSU-QWRGUYRKSA-N 2 1 237.372 1.811 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405237157 971216049 /nfs/dbraw/zinc/21/60/49/971216049.db2.gz UDAKSFYQABOKDE-CHWSQXEVSA-N 2 1 248.374 1.396 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241006 971222196 /nfs/dbraw/zinc/22/21/96/971222196.db2.gz BBKWPHORIJYHHH-NEPJUHHUSA-N 3 1 234.347 1.051 20 0 BDADMP Cc1c(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cnn1C ZINC000405306459 971232501 /nfs/dbraw/zinc/23/25/01/971232501.db2.gz KYZAJNOJBXWPLB-RYUDHWBXSA-N 2 1 234.347 1.088 20 0 BDADMP Cc1c(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cnn1C ZINC000405306461 971232678 /nfs/dbraw/zinc/23/26/78/971232678.db2.gz KYZAJNOJBXWPLB-VXGBXAGGSA-N 2 1 234.347 1.088 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000405332829 971237620 /nfs/dbraw/zinc/23/76/20/971237620.db2.gz FAFPIMWRDKEKCN-MMVSWEMESA-N 2 1 223.364 1.116 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000405562668 971276233 /nfs/dbraw/zinc/27/62/33/971276233.db2.gz ARABXHXDVHKTKV-BJJPWKGXSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CO[C@H]1C ZINC000405681059 971292522 /nfs/dbraw/zinc/29/25/22/971292522.db2.gz URRPZVQZJSREOO-NWBUJAPZSA-N 2 1 226.364 1.482 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CO[C@H]1C ZINC000405681059 971292526 /nfs/dbraw/zinc/29/25/26/971292526.db2.gz URRPZVQZJSREOO-NWBUJAPZSA-N 2 1 226.364 1.482 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C ZINC000405681055 971293852 /nfs/dbraw/zinc/29/38/52/971293852.db2.gz URRPZVQZJSREOO-LBELIVKGSA-N 2 1 226.364 1.482 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C ZINC000405681055 971293863 /nfs/dbraw/zinc/29/38/63/971293863.db2.gz URRPZVQZJSREOO-LBELIVKGSA-N 2 1 226.364 1.482 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCCCC1 ZINC001257449520 971367410 /nfs/dbraw/zinc/36/74/10/971367410.db2.gz GRNQYIXWQIEMEE-LLVKDONJSA-N 2 1 228.336 1.189 20 0 BDADMP [NH3+]Cc1ccc(CO[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001217845188 971440991 /nfs/dbraw/zinc/44/09/91/971440991.db2.gz WERFQNRFWBMTTL-LLVKDONJSA-N 2 1 242.269 1.269 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217865243 971458285 /nfs/dbraw/zinc/45/82/85/971458285.db2.gz IZLZXTVQCCCKAB-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](OCCC[NH3+])C1 ZINC001217908586 971509641 /nfs/dbraw/zinc/50/96/41/971509641.db2.gz JWSBSJMJYJQGOE-CHWSQXEVSA-N 2 1 249.358 1.582 20 0 BDADMP [NH3+]CC(=O)c1ccc(O[C@@H]2CCCC[NH2+]C2)cc1 ZINC001217974323 971559626 /nfs/dbraw/zinc/55/96/26/971559626.db2.gz HZTHDWXDDGLMKJ-CYBMUJFWSA-N 2 1 248.326 1.349 20 0 BDADMP c1cn2cc(O[C@H]3CC[NH2+]C3)ccc2[nH+]1 ZINC001218182614 971617968 /nfs/dbraw/zinc/61/79/68/971617968.db2.gz CLLRJIWFBILWMJ-VIFPVBQESA-N 2 1 203.245 1.075 20 0 BDADMP C[N@H+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000216750371 971646866 /nfs/dbraw/zinc/64/68/66/971646866.db2.gz HHWITQUOWGMGAY-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP N[C@H]1CC[N@@H+](CC2CCOCC2)CC[C@@H]1F ZINC001206156759 974328315 /nfs/dbraw/zinc/32/83/15/974328315.db2.gz SPDJDMWADWFCED-RYUDHWBXSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCOCC2)CC[C@@H]1F ZINC001206156759 974328319 /nfs/dbraw/zinc/32/83/19/974328319.db2.gz SPDJDMWADWFCED-RYUDHWBXSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCOCC2)CC[C@@H]1F ZINC001206156759 974328325 /nfs/dbraw/zinc/32/83/25/974328325.db2.gz SPDJDMWADWFCED-RYUDHWBXSA-N 2 1 230.327 1.174 20 0 BDADMP C[NH+](C)CCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099173 974337309 /nfs/dbraw/zinc/33/73/09/974337309.db2.gz GHGCLWDKUJIKTK-ZSOGYDGISA-N 2 1 239.407 1.543 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccnc1CC[NH3+])C2 ZINC001172100558 974343256 /nfs/dbraw/zinc/34/32/56/974343256.db2.gz FBCSCYBZPDUOJK-ITGUQSILSA-N 2 1 248.374 1.572 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1F)C2 ZINC001172104560 974366575 /nfs/dbraw/zinc/36/65/75/974366575.db2.gz CWIXCPOVXOHMII-IYKVGLELSA-N 2 1 212.312 1.702 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1F)C2 ZINC001172104560 974366583 /nfs/dbraw/zinc/36/65/83/974366583.db2.gz CWIXCPOVXOHMII-IYKVGLELSA-N 2 1 212.312 1.702 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246538225 972533418 /nfs/dbraw/zinc/53/34/18/972533418.db2.gz NBVBBPXALHFJMR-VJBQPNPTSA-N 2 1 237.391 1.423 20 0 BDADMP C[C@@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309918353 971880282 /nfs/dbraw/zinc/88/02/82/971880282.db2.gz PLIWBFHGYQGLHM-UKRRQHHQSA-N 2 1 247.386 1.540 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[NH2+]1 ZINC001246091044 972146015 /nfs/dbraw/zinc/14/60/15/972146015.db2.gz BAKGZVABTHMDRK-DDHJBXDOSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095532 972149587 /nfs/dbraw/zinc/14/95/87/972149587.db2.gz BLPFLHFPLATWEM-ZBBUEOHVSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)C[NH2+]1 ZINC001246098743 972153186 /nfs/dbraw/zinc/15/31/86/972153186.db2.gz RYGOXWMRVFATLN-CRWXNKLISA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001246101333 972159917 /nfs/dbraw/zinc/15/99/17/972159917.db2.gz KBCQXXZLTCQGBY-ZHSDAYTOSA-N 2 1 236.359 1.332 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106687 972169554 /nfs/dbraw/zinc/16/95/54/972169554.db2.gz DXKKBSVZILMTNH-VJTDZRGJSA-N 3 1 237.391 1.247 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246106783 972170205 /nfs/dbraw/zinc/17/02/05/972170205.db2.gz FTFLTENTOGJJOR-QWHCGFSZSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246119629 972186654 /nfs/dbraw/zinc/18/66/54/972186654.db2.gz WRTCEFPMHBYMRI-UMSGYPCISA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(O)c2)C[NH2+]1 ZINC001246157347 972198354 /nfs/dbraw/zinc/19/83/54/972198354.db2.gz GNFQCHSSGKJJDP-DGCLKSJQSA-N 2 1 234.343 1.665 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CO1 ZINC000396923831 957364088 /nfs/dbraw/zinc/36/40/88/957364088.db2.gz LCXZRHAJJNVGNX-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1cc2[nH+]ccn2cc1N[C@H]1CC[N@H+](C)C1 ZINC001167278847 957627316 /nfs/dbraw/zinc/62/73/16/957627316.db2.gz VLMDUNLOKCFKHN-NSHDSACASA-N 2 1 230.315 1.759 20 0 BDADMP CCC(CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246454382 972322944 /nfs/dbraw/zinc/32/29/44/972322944.db2.gz SATABTQGDXZGHG-UHFFFAOYSA-N 3 1 201.358 1.093 20 0 BDADMP CCCC[NH+]1CCC(Nc2cc[nH+]c(N)n2)CC1 ZINC001347944027 958210720 /nfs/dbraw/zinc/21/07/20/958210720.db2.gz DHPGCSKYYBFYTD-UHFFFAOYSA-N 2 1 249.362 1.735 20 0 BDADMP C[C@@H]1C[C@H](N[C@]2(C)CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246461949 972338009 /nfs/dbraw/zinc/33/80/09/972338009.db2.gz QNHICDIDRGYEMA-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCN(C)C2)CC[NH2+]1 ZINC001246461949 972338014 /nfs/dbraw/zinc/33/80/14/972338014.db2.gz QNHICDIDRGYEMA-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[C@@H](N[C@]2(C)CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246464689 972338905 /nfs/dbraw/zinc/33/89/05/972338905.db2.gz SNIAJACDFCIFSS-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)C[NH2+]1 ZINC001246470205 972348895 /nfs/dbraw/zinc/34/88/95/972348895.db2.gz PSEWSMIMDCPEGZ-XQHKEYJVSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000399008861 958486394 /nfs/dbraw/zinc/48/63/94/958486394.db2.gz BJEIVOYMMXXVRX-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000399037711 958492243 /nfs/dbraw/zinc/49/22/43/958492243.db2.gz OXZCZHLZYHMZTH-FRRDWIJNSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(C[NH3+])cc2)CN1 ZINC001246487016 972352923 /nfs/dbraw/zinc/35/29/23/972352923.db2.gz YWPLLVZMVIUECX-WFASDCNBSA-N 2 1 247.386 1.418 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001246487016 972352928 /nfs/dbraw/zinc/35/29/28/972352928.db2.gz YWPLLVZMVIUECX-WFASDCNBSA-N 3 1 247.386 1.418 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[NH+]1C2CCC1CC2 ZINC000399363874 958661436 /nfs/dbraw/zinc/66/14/36/958661436.db2.gz HNGGLIBIGVPBKV-WXRRBKDZSA-N 2 1 226.364 1.316 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000724154697 958741482 /nfs/dbraw/zinc/74/14/82/958741482.db2.gz YRLBVXXLCLSXGT-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3sccc3C2)C1 ZINC000693569344 958865198 /nfs/dbraw/zinc/86/51/98/958865198.db2.gz PUUOSTILRDNVDZ-JGZJWPJOSA-N 2 1 222.357 1.844 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000690754306 959223606 /nfs/dbraw/zinc/22/36/06/959223606.db2.gz IUNFBCKPCNDEGI-QMMMGPOBSA-N 2 1 223.147 1.976 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC12CCCC2 ZINC000708316824 959315979 /nfs/dbraw/zinc/31/59/79/959315979.db2.gz OHURMPPJBIFUFL-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC12CCCC2 ZINC000708316824 959315994 /nfs/dbraw/zinc/31/59/94/959315994.db2.gz OHURMPPJBIFUFL-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1ncc(CN2CCC[C@@]23CCC[NH2+]C3)[nH]1 ZINC001222249513 972421900 /nfs/dbraw/zinc/42/19/00/972421900.db2.gz TVVHLHMMOOAKMJ-CYBMUJFWSA-N 2 1 234.347 1.436 20 0 BDADMP Nc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222254561 972424195 /nfs/dbraw/zinc/42/41/95/972424195.db2.gz ZWSRODJSXCBMSF-HNNXBMFYSA-N 2 1 245.370 1.987 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222254561 972424203 /nfs/dbraw/zinc/42/42/03/972424203.db2.gz ZWSRODJSXCBMSF-HNNXBMFYSA-N 2 1 245.370 1.987 20 0 BDADMP C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[N@@H+](C)C1CC1 ZINC000405238378 959422324 /nfs/dbraw/zinc/42/23/24/959422324.db2.gz VBHCKBJEIZUSPJ-WXHSDQCUSA-N 2 1 237.391 1.329 20 0 BDADMP Cc1[nH]c(CN2CCC([NH+]3CCCC3)CC2)c[nH+]1 ZINC000724774126 959432126 /nfs/dbraw/zinc/43/21/26/959432126.db2.gz BXVOBNZGCGBVSJ-UHFFFAOYSA-N 2 1 248.374 1.778 20 0 BDADMP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309174 972437951 /nfs/dbraw/zinc/43/79/51/972437951.db2.gz MSWJNEPKUMLLJV-CHWSQXEVSA-N 3 1 225.380 1.332 20 0 BDADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309174 972437952 /nfs/dbraw/zinc/43/79/52/972437952.db2.gz MSWJNEPKUMLLJV-CHWSQXEVSA-N 3 1 225.380 1.332 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC1(C)C)C2 ZINC000308966542 959552465 /nfs/dbraw/zinc/55/24/65/959552465.db2.gz MRFDAAIASNKLII-WISYIIOYSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CCN1C ZINC000235286358 959630181 /nfs/dbraw/zinc/63/01/81/959630181.db2.gz OYNMLFHPFOQNSP-AEJJFCSLSA-N 2 1 202.729 1.811 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC000235286358 959630191 /nfs/dbraw/zinc/63/01/91/959630191.db2.gz OYNMLFHPFOQNSP-AEJJFCSLSA-N 2 1 202.729 1.811 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CC[N@H+]1C ZINC000235286358 959630194 /nfs/dbraw/zinc/63/01/94/959630194.db2.gz OYNMLFHPFOQNSP-AEJJFCSLSA-N 2 1 202.729 1.811 20 0 BDADMP C(C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)C1C[NH2+]C1 ZINC001222385735 972450630 /nfs/dbraw/zinc/45/06/30/972450630.db2.gz VFMLHXAIQLVTBV-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)C1C[NH2+]C1 ZINC001222385735 972450633 /nfs/dbraw/zinc/45/06/33/972450633.db2.gz VFMLHXAIQLVTBV-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385052 972451675 /nfs/dbraw/zinc/45/16/75/972451675.db2.gz DPJQJEMOGRFMSP-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385052 972451679 /nfs/dbraw/zinc/45/16/79/972451679.db2.gz DPJQJEMOGRFMSP-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@](C)([NH3+])C1)C2 ZINC001246533020 972456944 /nfs/dbraw/zinc/45/69/44/972456944.db2.gz ZDJWBHCLBHNLIF-ZFWWWQNUSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@](C)([NH3+])C1)C2 ZINC001246533020 972456948 /nfs/dbraw/zinc/45/69/48/972456948.db2.gz ZDJWBHCLBHNLIF-ZFWWWQNUSA-N 2 1 246.354 1.586 20 0 BDADMP Cc1cc(NCC2C[NH+](C)C2)nc(C)[nH+]1 ZINC000309217586 959789773 /nfs/dbraw/zinc/78/97/73/959789773.db2.gz UPFBSIJTJBOBAX-UHFFFAOYSA-N 2 1 206.293 1.067 20 0 BDADMP C1C[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2O1 ZINC000724821839 959796769 /nfs/dbraw/zinc/79/67/69/959796769.db2.gz GNALKPHLMJNXBZ-BEUHCMRWSA-N 2 1 236.359 1.380 20 0 BDADMP C1C[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2O1 ZINC000724821839 959796782 /nfs/dbraw/zinc/79/67/82/959796782.db2.gz GNALKPHLMJNXBZ-BEUHCMRWSA-N 2 1 236.359 1.380 20 0 BDADMP C[C@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H]1C[NH3+] ZINC000708837832 959862170 /nfs/dbraw/zinc/86/21/70/959862170.db2.gz SHJGXZQQRPLSLZ-WDEREUQCSA-N 2 1 245.326 1.854 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H]1C[NH3+] ZINC000708837832 959862174 /nfs/dbraw/zinc/86/21/74/959862174.db2.gz SHJGXZQQRPLSLZ-WDEREUQCSA-N 2 1 245.326 1.854 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708851955 959922845 /nfs/dbraw/zinc/92/28/45/959922845.db2.gz GMZYKURPMVGZOP-YUTCNCBUSA-N 2 1 234.343 1.247 20 0 BDADMP C[C@H]1CC[C@@H](Oc2ccc(C(=O)C[NH3+])cc2)C[NH2+]1 ZINC001218401030 960062729 /nfs/dbraw/zinc/06/27/29/960062729.db2.gz BODCFCBMQHCQGI-GXFFZTMASA-N 2 1 248.326 1.347 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCC1 ZINC000692522761 960148698 /nfs/dbraw/zinc/14/86/98/960148698.db2.gz GLELRYYJLYZJMA-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000692536126 960274058 /nfs/dbraw/zinc/27/40/58/960274058.db2.gz NNXIRXPGCDPOEB-NSHDSACASA-N 2 1 239.388 1.931 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](C[C@H]1CCCOC1)CC2 ZINC001207471296 960302611 /nfs/dbraw/zinc/30/26/11/960302611.db2.gz DYZJBORFXBRYJV-GFCCVEGCSA-N 2 1 235.331 1.168 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](C[C@H]1CCCOC1)CC2 ZINC001207471296 960302621 /nfs/dbraw/zinc/30/26/21/960302621.db2.gz DYZJBORFXBRYJV-GFCCVEGCSA-N 2 1 235.331 1.168 20 0 BDADMP O[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1F ZINC001140802264 960586582 /nfs/dbraw/zinc/58/65/82/960586582.db2.gz SOHRXFSNNYXXIN-DGCLKSJQSA-N 2 1 249.289 1.468 20 0 BDADMP O[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1F ZINC001140802264 960586599 /nfs/dbraw/zinc/58/65/99/960586599.db2.gz SOHRXFSNNYXXIN-DGCLKSJQSA-N 2 1 249.289 1.468 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491425 972515824 /nfs/dbraw/zinc/51/58/24/972515824.db2.gz AQZAZPHGFGYHLQ-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1O ZINC001140801797 960594326 /nfs/dbraw/zinc/59/43/26/960594326.db2.gz GAPWXLFABRXECC-ZANVPECISA-N 2 1 231.299 1.376 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1O ZINC001140801797 960594336 /nfs/dbraw/zinc/59/43/36/960594336.db2.gz GAPWXLFABRXECC-ZANVPECISA-N 2 1 231.299 1.376 20 0 BDADMP CN1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709486738 960619210 /nfs/dbraw/zinc/61/92/10/960619210.db2.gz GNDGUXYPGXAQHD-QNMSZWNNSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC[NH2+]1 ZINC000925701059 960691108 /nfs/dbraw/zinc/69/11/08/960691108.db2.gz UZTRVTUIQFFXNL-YVECIDJPSA-N 3 1 239.407 1.623 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC1CC[NH+](C)CC1)C2 ZINC001222499088 972526836 /nfs/dbraw/zinc/52/68/36/972526836.db2.gz XIQGQYGLWIFPSQ-DABQJJPHSA-N 2 1 238.375 1.722 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC(=O)OC ZINC001167842432 961244066 /nfs/dbraw/zinc/24/40/66/961244066.db2.gz XFQWUQGBOKMBIV-GFCCVEGCSA-N 2 1 244.379 1.602 20 0 BDADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)C(C)C)[NH+](C)C ZINC001268240014 961468642 /nfs/dbraw/zinc/46/86/42/961468642.db2.gz GQTOBRMPVASHLE-GFCCVEGCSA-N 2 1 243.395 1.125 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167902717 961655618 /nfs/dbraw/zinc/65/56/18/961655618.db2.gz NVILNQRWPLHREM-MROQNXINSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[N@@H+](C2CCC(F)(F)CC2)C[C@H]1[NH3+] ZINC000711145224 962630723 /nfs/dbraw/zinc/63/07/23/962630723.db2.gz RAUCVBCVGVLCLN-PSASIEDQSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC(F)(F)CC2)C[C@H]1[NH3+] ZINC000711145224 962630736 /nfs/dbraw/zinc/63/07/36/962630736.db2.gz RAUCVBCVGVLCLN-PSASIEDQSA-N 2 1 218.291 1.843 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712769365 962975012 /nfs/dbraw/zinc/97/50/12/962975012.db2.gz STYXGGIGLULXPZ-RYUDHWBXSA-N 2 1 240.347 1.095 20 0 BDADMP CC(C)(C)C(=[NH2+])Nc1ncnc2c1CC[NH2+]CC2 ZINC001155176295 962995613 /nfs/dbraw/zinc/99/56/13/962995613.db2.gz YLNJECLJUWFZAU-UHFFFAOYSA-N 2 1 247.346 1.600 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC000712782803 963153402 /nfs/dbraw/zinc/15/34/02/963153402.db2.gz KEQMAPWURZTHQP-GRYCIOLGSA-N 2 1 240.347 1.094 20 0 BDADMP CC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156193821 963282593 /nfs/dbraw/zinc/28/25/93/963282593.db2.gz HBAINLFAQQCOJF-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP C[N@@H+]1CCC[C@H](CCNc2cc[nH+]c(N)n2)C1 ZINC001156389739 963331855 /nfs/dbraw/zinc/33/18/55/963331855.db2.gz RFEZMNVWIYDDNW-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2cc[nH+]c(N)n2)C1 ZINC001156389739 963331863 /nfs/dbraw/zinc/33/18/63/963331863.db2.gz RFEZMNVWIYDDNW-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP C[C@@]1([NH3+])CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001204782795 963540643 /nfs/dbraw/zinc/54/06/43/963540643.db2.gz JJBADSZHUAJPBK-CYBMUJFWSA-N 2 1 230.315 1.486 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001157396915 963597994 /nfs/dbraw/zinc/59/79/94/963597994.db2.gz RFZRYYAYRPJPGX-UHFFFAOYSA-N 2 1 246.314 1.615 20 0 BDADMP COC(C)(C)C[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000697036386 963664670 /nfs/dbraw/zinc/66/46/70/963664670.db2.gz KWFXCBNFFZTYNK-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC[NH+](C)C)CCO1 ZINC001168107870 963741101 /nfs/dbraw/zinc/74/11/01/963741101.db2.gz YWMBPLQWIAQGAE-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP C[NH+](C)CC(C)(C)CNc1ncnc2c1C[NH2+]C2 ZINC001157942172 963776627 /nfs/dbraw/zinc/77/66/27/963776627.db2.gz QGEKUYBEJUZVGZ-UHFFFAOYSA-N 2 1 249.362 1.080 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC001168141805 963847997 /nfs/dbraw/zinc/84/79/97/963847997.db2.gz JZUVISBUAOHDIO-TZMCWYRMSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+]1CC2(CN(c3cc4[nH]ccc4c[nH+]3)C2)C1 ZINC001158864714 963949164 /nfs/dbraw/zinc/94/91/64/963949164.db2.gz ZZDXFTADVBPBRN-UHFFFAOYSA-N 2 1 228.299 1.315 20 0 BDADMP Cc1ccc(N[C@H]2C[NH2+]CC[C@H]2F)[nH+]c1N ZINC001168226654 964006915 /nfs/dbraw/zinc/00/69/15/964006915.db2.gz DGRFPDJMWQSZBQ-BDAKNGLRSA-N 2 1 224.283 1.084 20 0 BDADMP COc1ccc2c(c1)C[C@H]([NH2+]C(C)(C)C[NH3+])C2 ZINC001168233026 964019758 /nfs/dbraw/zinc/01/97/58/964019758.db2.gz XKZYRFFYHDXJKB-GFCCVEGCSA-N 2 1 234.343 1.489 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]1CN)C2 ZINC001168234665 964023617 /nfs/dbraw/zinc/02/36/17/964023617.db2.gz CKWSKXZZSYTEAV-UONOGXRCSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H]1C[NH3+])C2 ZINC001168234665 964023630 /nfs/dbraw/zinc/02/36/30/964023630.db2.gz CKWSKXZZSYTEAV-UONOGXRCSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H]1C[NH3+])C2 ZINC001168234665 964023643 /nfs/dbraw/zinc/02/36/43/964023643.db2.gz CKWSKXZZSYTEAV-UONOGXRCSA-N 2 1 246.354 1.586 20 0 BDADMP CCN(C)c1cc[nH+]c(NCC[C@@H](C)[NH3+])n1 ZINC001159774695 964191728 /nfs/dbraw/zinc/19/17/28/964191728.db2.gz LFBJLUBSVXKIOO-SECBINFHSA-N 2 1 223.324 1.082 20 0 BDADMP Cc1cc2ns[nH]c-2cc1=[NH+]C1=CC[NH2+]C1 ZINC001159933224 964229184 /nfs/dbraw/zinc/22/91/84/964229184.db2.gz QUFMOMSXOXNFJA-UHFFFAOYSA-N 2 1 232.312 1.899 20 0 BDADMP Nc1ccc[nH+]c1NCc1ccccc1C[NH3+] ZINC001160905862 964442456 /nfs/dbraw/zinc/44/24/56/964442456.db2.gz GRRJLEQTTPCCCL-UHFFFAOYSA-N 2 1 228.299 1.735 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001168327620 964460844 /nfs/dbraw/zinc/46/08/44/964460844.db2.gz PPJHLKCIJAYGTM-BPNZPQAUSA-N 2 1 224.348 1.332 20 0 BDADMP CC[N@@H+](C1COC1)C1CCC([NH+](C)C)CC1 ZINC001168328188 964461589 /nfs/dbraw/zinc/46/15/89/964461589.db2.gz YYWPHQFQFMQXOR-UHFFFAOYSA-N 2 1 226.364 1.580 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697810170 964536689 /nfs/dbraw/zinc/53/66/89/964536689.db2.gz ORTUCTJZMSSZIR-RVMXOQNASA-N 2 1 208.349 1.703 20 0 BDADMP C[C@@H](CC[NH2+]Cc1ccc(C(N)=O)cc1)[NH+](C)C ZINC000697869370 964593536 /nfs/dbraw/zinc/59/35/36/964593536.db2.gz FYZZJOYWQNTMFP-NSHDSACASA-N 2 1 249.358 1.215 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H]3COC[C@@H]32)CCC[NH2+]C1 ZINC000690286881 964859532 /nfs/dbraw/zinc/85/95/32/964859532.db2.gz VWCULKRZMZBWCQ-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP COc1ccc(C)[nH+]c1N[C@H]1C[C@@](C)([NH3+])C1 ZINC001162328264 964932203 /nfs/dbraw/zinc/93/22/03/964932203.db2.gz LCZOSSHPKZSFCJ-WVSHTKLVSA-N 2 1 221.304 1.690 20 0 BDADMP OC[C@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373769 964981077 /nfs/dbraw/zinc/98/10/77/964981077.db2.gz UHJDQTNNZWWNOZ-CQSZACIVSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+]1CCC[C@H]1COC1C[NH+](C(C)(C)C)C1 ZINC001224819083 964990754 /nfs/dbraw/zinc/99/07/54/964990754.db2.gz MQSAKHYWZBSEDN-NSHDSACASA-N 2 1 226.364 1.580 20 0 BDADMP C[N@H+]1CCC[C@H]1COC1C[NH+](C(C)(C)C)C1 ZINC001224819083 964990760 /nfs/dbraw/zinc/99/07/60/964990760.db2.gz MQSAKHYWZBSEDN-NSHDSACASA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](CC)CCOC1C[NH+](C(C)C)C1 ZINC001224928872 965103865 /nfs/dbraw/zinc/10/38/65/965103865.db2.gz XIGBMULDWGYRQG-UHFFFAOYSA-N 2 1 214.353 1.437 20 0 BDADMP CCc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)cc(C)[nH+]1 ZINC001162796580 965181613 /nfs/dbraw/zinc/18/16/13/965181613.db2.gz FLOOJFFHXDWKPK-QJPTWQEYSA-N 2 1 244.342 1.533 20 0 BDADMP CCc1ccc[nH+]c1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163068207 965252469 /nfs/dbraw/zinc/25/24/69/965252469.db2.gz GQXMPDNEACCNFD-GFCCVEGCSA-N 2 1 247.342 1.434 20 0 BDADMP Cc1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]c1 ZINC001163147759 965265019 /nfs/dbraw/zinc/26/50/19/965265019.db2.gz LCUQRPGCHFDJKH-AAEUAGOBSA-N 2 1 233.315 1.038 20 0 BDADMP Cc1ccc[nH+]c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163254722 965316116 /nfs/dbraw/zinc/31/61/16/965316116.db2.gz PRNAYDLYFVPONU-WOPDTQHZSA-N 2 1 217.316 1.800 20 0 BDADMP COc1c[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C ZINC001163262179 965321975 /nfs/dbraw/zinc/32/19/75/965321975.db2.gz XOYYUNPIHKQLIJ-WOPDTQHZSA-N 2 1 247.342 1.809 20 0 BDADMP C[C@H](C[NH+](C)C)Nc1c[nH+]c2c(c1)CCCN2 ZINC001163785912 965590112 /nfs/dbraw/zinc/59/01/12/965590112.db2.gz JODIFIYETKJYOF-SNVBAGLBSA-N 2 1 234.347 1.089 20 0 BDADMP C1C[NH2+][C@H]2CC[N@@H+](C3CCOCC3)C[C@H]2C1 ZINC000715060651 965642383 /nfs/dbraw/zinc/64/23/83/965642383.db2.gz IZJUTUGXXGHLPH-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+][C@H]2CC[N@H+](C3CCOCC3)C[C@H]2C1 ZINC000715060651 965642391 /nfs/dbraw/zinc/64/23/91/965642391.db2.gz IZJUTUGXXGHLPH-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC000715066410 965664952 /nfs/dbraw/zinc/66/49/52/965664952.db2.gz ZWNHSJGBPPTCPW-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699212062 965817156 /nfs/dbraw/zinc/81/71/56/965817156.db2.gz SDPQHICUXNMZRB-GSPSYOTPSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1OCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000699206700 965817199 /nfs/dbraw/zinc/81/71/99/965817199.db2.gz XVDYMVLXNFYDSS-DUJLVANISA-N 2 1 238.375 1.626 20 0 BDADMP Cc1[nH]c2ccc(NOCC[NH3+])cc2[nH+]1 ZINC001164424194 965877635 /nfs/dbraw/zinc/87/76/35/965877635.db2.gz QQTDKLVKFRSDEC-UHFFFAOYSA-N 2 1 206.249 1.174 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])CN1c1[nH+]cccc1N ZINC001164460920 965893144 /nfs/dbraw/zinc/89/31/44/965893144.db2.gz GKYDCUCPLVIDSG-UWVGGRQHSA-N 2 1 220.320 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3ncoc3c2)C[C@H]1C[NH3+] ZINC001205145937 966045594 /nfs/dbraw/zinc/04/55/94/966045594.db2.gz MHTCKKGNXYLITJ-CMPLNLGQSA-N 2 1 245.326 1.854 20 0 BDADMP [NH3+][C@]12CC[C@@H]1CN(Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001235987081 966203174 /nfs/dbraw/zinc/20/31/74/966203174.db2.gz FNZHLVFBAQIPLD-RISCZKNCSA-N 2 1 242.326 1.486 20 0 BDADMP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCNC1 ZINC001236003770 966225282 /nfs/dbraw/zinc/22/52/82/966225282.db2.gz AKQGAKXCUWADOP-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCNC1 ZINC001236003770 966225305 /nfs/dbraw/zinc/22/53/05/966225305.db2.gz AKQGAKXCUWADOP-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP CC1(C)C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC001236169884 966282486 /nfs/dbraw/zinc/28/24/86/966282486.db2.gz POICTPSCWZUSBC-WDEREUQCSA-N 2 1 212.337 1.225 20 0 BDADMP C([C@@H]1CCCCO1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313954 966361924 /nfs/dbraw/zinc/36/19/24/966361924.db2.gz BKLWQIRDQIIIJL-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(C)[nH+]1 ZINC001237413466 966658460 /nfs/dbraw/zinc/65/84/60/966658460.db2.gz IKVATTHQRTXKGG-STQMWFEESA-N 2 1 248.374 1.600 20 0 BDADMP CC/C=C\CC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205211808 966852367 /nfs/dbraw/zinc/85/23/67/966852367.db2.gz WCBKRRJNCSFFHP-DHCBQETCSA-N 2 1 226.364 1.518 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727877 967140304 /nfs/dbraw/zinc/14/03/04/967140304.db2.gz TXLPJMLEVUHAQW-UHFFFAOYSA-N 3 1 225.380 1.191 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727743 967141215 /nfs/dbraw/zinc/14/12/15/967141215.db2.gz MTABZDFBHIKNKC-UHFFFAOYSA-N 3 1 225.380 1.062 20 0 BDADMP N[C@H](Cc1ccccc1)C[NH+]1CCC(C[NH3+])CC1 ZINC001205026755 967151337 /nfs/dbraw/zinc/15/13/37/967151337.db2.gz XZLBESDEIHFNJZ-OAHLLOKOSA-N 2 1 247.386 1.227 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204762663 967156574 /nfs/dbraw/zinc/15/65/74/967156574.db2.gz APIPCYXPRRYXOC-ZDUSSCGKSA-N 2 1 242.363 1.531 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204762663 967156581 /nfs/dbraw/zinc/15/65/81/967156581.db2.gz APIPCYXPRRYXOC-ZDUSSCGKSA-N 2 1 242.363 1.531 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CC[C@H](C)O)CC1 ZINC001204768849 967161903 /nfs/dbraw/zinc/16/19/03/967161903.db2.gz NGUHEDVISCWHFR-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@H]2CO)CC1 ZINC000691349741 967257911 /nfs/dbraw/zinc/25/79/11/967257911.db2.gz KDEXQUINGBDGPO-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2cncc(Cl)n2)CC1 ZINC001205054189 967308428 /nfs/dbraw/zinc/30/84/28/967308428.db2.gz ZSSLOGHJCDYQTN-UHFFFAOYSA-N 2 1 240.738 1.301 20 0 BDADMP Nc1cccc(F)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109864 967353988 /nfs/dbraw/zinc/35/39/88/967353988.db2.gz LMDLMWQRZIRLMN-SNVBAGLBSA-N 2 1 237.322 1.721 20 0 BDADMP Nc1cccc(F)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109864 967353999 /nfs/dbraw/zinc/35/39/99/967353999.db2.gz LMDLMWQRZIRLMN-SNVBAGLBSA-N 2 1 237.322 1.721 20 0 BDADMP CCc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205117343 967366850 /nfs/dbraw/zinc/36/68/50/967366850.db2.gz OIONRZBNKIFTEP-GFCCVEGCSA-N 2 1 233.359 1.957 20 0 BDADMP CCc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205117343 967366855 /nfs/dbraw/zinc/36/68/55/967366855.db2.gz OIONRZBNKIFTEP-GFCCVEGCSA-N 2 1 233.359 1.957 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CC2OC=CC2=S)CC1 ZINC001205124280 967371692 /nfs/dbraw/zinc/37/16/92/967371692.db2.gz NHOIDMVTRILRMU-SECBINFHSA-N 2 1 226.345 1.882 20 0 BDADMP Cc1cc(F)ncc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117957 967373168 /nfs/dbraw/zinc/37/31/68/967373168.db2.gz ZOPJMMCAJBBCGY-GFCCVEGCSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1cc(F)ncc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117957 967373177 /nfs/dbraw/zinc/37/31/77/967373177.db2.gz ZOPJMMCAJBBCGY-GFCCVEGCSA-N 2 1 237.322 1.842 20 0 BDADMP CS[C@H](C)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131442 967374169 /nfs/dbraw/zinc/37/41/69/967374169.db2.gz ZZQNRIAJVDDPQT-HBNTYKKESA-N 2 1 216.394 1.655 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1C[NH3+] ZINC001205130389 967378467 /nfs/dbraw/zinc/37/84/67/967378467.db2.gz CXKVCDQXYHGDBO-WCQYABFASA-N 2 1 236.334 1.895 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3cc[nH]c3cn2)C[C@H]1C[NH3+] ZINC001205145694 967390703 /nfs/dbraw/zinc/39/07/03/967390703.db2.gz AXRDTEKPDUVNNC-CMPLNLGQSA-N 2 1 244.342 1.590 20 0 BDADMP CC[C@H](CCC(=O)OC)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205170927 967404597 /nfs/dbraw/zinc/40/45/97/967404597.db2.gz GPFOXJPVLDDOPN-IJLUTSLNSA-N 2 1 242.363 1.387 20 0 BDADMP CC(C)(C)CC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209719 967430218 /nfs/dbraw/zinc/43/02/18/967430218.db2.gz KWAWSKKYXQEDMR-ZDUSSCGKSA-N 2 1 228.380 1.598 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221694 967431142 /nfs/dbraw/zinc/43/11/42/967431142.db2.gz WJSCNDGRNZCFEX-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccnc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205210332 967431351 /nfs/dbraw/zinc/43/13/51/967431351.db2.gz NTHDDZJUJYKZGX-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205255413 967448590 /nfs/dbraw/zinc/44/85/90/967448590.db2.gz IPZAHEUASFASTL-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205255413 967448598 /nfs/dbraw/zinc/44/85/98/967448598.db2.gz IPZAHEUASFASTL-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC001205258004 967449599 /nfs/dbraw/zinc/44/95/99/967449599.db2.gz ZUPDHHQHXZKZEJ-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccoc2)CC1 ZINC001205265141 967455225 /nfs/dbraw/zinc/45/52/25/967455225.db2.gz NMTIVEQTOOMOFY-GFCCVEGCSA-N 2 1 208.305 1.983 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264263 967455288 /nfs/dbraw/zinc/45/52/88/967455288.db2.gz IPAPLZPUJYTZRF-CYBMUJFWSA-N 2 1 237.347 1.995 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205263877 967456197 /nfs/dbraw/zinc/45/61/97/967456197.db2.gz DPYUDLQSQGYRSE-ZDUSSCGKSA-N 2 1 236.363 1.730 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265258 967456403 /nfs/dbraw/zinc/45/64/03/967456403.db2.gz PDQFGJHHOIRMHF-GFCCVEGCSA-N 2 1 222.336 1.421 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205266958 967456614 /nfs/dbraw/zinc/45/66/14/967456614.db2.gz YVZPBPJYROXUAG-LBPRGKRZSA-N 2 1 222.336 1.123 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ncccc2O)CC1 ZINC001205264820 967457371 /nfs/dbraw/zinc/45/73/71/967457371.db2.gz NFAQBZYISLGKLR-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP COc1ccncc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273270 967465586 /nfs/dbraw/zinc/46/55/86/967465586.db2.gz JDEAKLKPKPZLFV-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccncc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273270 967465594 /nfs/dbraw/zinc/46/55/94/967465594.db2.gz JDEAKLKPKPZLFV-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cnco2)CC1 ZINC001205272997 967466858 /nfs/dbraw/zinc/46/68/58/967466858.db2.gz BYDQFGAWLQKHNC-NSHDSACASA-N 2 1 209.293 1.378 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cnco2)CC1 ZINC001205272997 967466868 /nfs/dbraw/zinc/46/68/68/967466868.db2.gz BYDQFGAWLQKHNC-NSHDSACASA-N 2 1 209.293 1.378 20 0 BDADMP Cc1nc(N)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280578 967472858 /nfs/dbraw/zinc/47/28/58/967472858.db2.gz CTTYOJWYFFNOIY-CQSZACIVSA-N 2 1 248.374 1.676 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288623 967482067 /nfs/dbraw/zinc/48/20/67/967482067.db2.gz MHLUFVWFGOTMAB-CYBMUJFWSA-N 2 1 236.363 1.675 20 0 BDADMP Cc1ncncc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296909 967493769 /nfs/dbraw/zinc/49/37/69/967493769.db2.gz WVMMKYMMMCEJIV-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296909 967493779 /nfs/dbraw/zinc/49/37/79/967493779.db2.gz WVMMKYMMMCEJIV-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2c1NCC2 ZINC001205331987 967548173 /nfs/dbraw/zinc/54/81/73/967548173.db2.gz LKTDIKVZQSXYAE-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c1NCC2 ZINC001205331987 967548181 /nfs/dbraw/zinc/54/81/81/967548181.db2.gz LKTDIKVZQSXYAE-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CC2CCOCC2)CC1 ZINC001205536928 967668190 /nfs/dbraw/zinc/66/81/90/967668190.db2.gz CIVAFWJGCJYIIB-CYBMUJFWSA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546240 967691274 /nfs/dbraw/zinc/69/12/74/967691274.db2.gz SPVNFKGNFYXOFD-ZDUSSCGKSA-N 3 1 245.386 1.658 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)o1 ZINC001205582104 967704458 /nfs/dbraw/zinc/70/44/58/967704458.db2.gz WSWHVFJCGNXEDO-LBPRGKRZSA-N 2 1 241.310 1.636 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCO)CC[C@H]1C[NH3+] ZINC001205601966 967720745 /nfs/dbraw/zinc/72/07/45/967720745.db2.gz HGOQDRSBZZEYRX-RYUDHWBXSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncccn2)CC[C@@H]1C[NH3+] ZINC001205617833 967725797 /nfs/dbraw/zinc/72/57/97/967725797.db2.gz OJDFGVSJBCWYDC-VXGBXAGGSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)CC[C@H]1C[NH3+] ZINC001205618704 967731088 /nfs/dbraw/zinc/73/10/88/967731088.db2.gz YHRLUDDCNXQTKF-AAEUAGOBSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2csnn2)CC[C@@H]1C[NH3+] ZINC001205627117 967732990 /nfs/dbraw/zinc/73/29/90/967732990.db2.gz MWISUDPDQWKZMG-NXEZZACHSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2csnn2)CC[C@@H]1C[NH3+] ZINC001205627117 967733003 /nfs/dbraw/zinc/73/30/03/967733003.db2.gz MWISUDPDQWKZMG-NXEZZACHSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccnnc2)CC[C@@H]1C[NH3+] ZINC001205627095 967737176 /nfs/dbraw/zinc/73/71/76/967737176.db2.gz MNHRECAKUNMDJC-WCQYABFASA-N 2 1 234.347 1.283 20 0 BDADMP Cc1ccncc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205681029 967767003 /nfs/dbraw/zinc/76/70/03/967767003.db2.gz DOTOAQUCZDQXPU-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)CCC1(F)F ZINC001205735531 967809637 /nfs/dbraw/zinc/80/96/37/967809637.db2.gz NGRMMSHJHHLURR-MNOVXSKESA-N 2 1 246.301 1.595 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCC1(F)F ZINC001205735531 967809639 /nfs/dbraw/zinc/80/96/39/967809639.db2.gz NGRMMSHJHHLURR-MNOVXSKESA-N 2 1 246.301 1.595 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccc3c2CCN3)C[C@@H]1[NH3+] ZINC001205889268 967874912 /nfs/dbraw/zinc/87/49/12/967874912.db2.gz WOPVTOIURSFWEW-RISCZKNCSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCN3)C[C@@H]1[NH3+] ZINC001205889268 967874915 /nfs/dbraw/zinc/87/49/15/967874915.db2.gz WOPVTOIURSFWEW-RISCZKNCSA-N 2 1 245.370 1.824 20 0 BDADMP CC(C)N(CCC[NH3+])c1cc[nH+]c(N(C)C)n1 ZINC000085435692 967883523 /nfs/dbraw/zinc/88/35/23/967883523.db2.gz OHRWOGYPMOFNKD-UHFFFAOYSA-N 2 1 237.351 1.106 20 0 BDADMP N[C@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001205923965 967889789 /nfs/dbraw/zinc/88/97/89/967889789.db2.gz RJOGAUHKFOGHCG-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@H]1CCCCN(CCC2CC[NH2+]CC2)C1 ZINC001205923965 967889792 /nfs/dbraw/zinc/88/97/92/967889792.db2.gz RJOGAUHKFOGHCG-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)[nH]n1 ZINC001205982523 967928193 /nfs/dbraw/zinc/92/81/93/967928193.db2.gz MGJUNUAGTKMMLO-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)n[nH]1 ZINC001205982523 967928210 /nfs/dbraw/zinc/92/82/10/967928210.db2.gz MGJUNUAGTKMMLO-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)n[nH]1 ZINC001205982523 967928237 /nfs/dbraw/zinc/92/82/37/967928237.db2.gz MGJUNUAGTKMMLO-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccon2)CCC[C@H]1C[NH3+] ZINC001205996560 967949471 /nfs/dbraw/zinc/94/94/71/967949471.db2.gz XGPOYRVXVRELQI-MNOVXSKESA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccncc2O)CCC[C@@H]1C[NH3+] ZINC001206003913 967958270 /nfs/dbraw/zinc/95/82/70/967958270.db2.gz NNPIFLZQVSAZDB-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2O)CCC[C@@H]1C[NH3+] ZINC001206003913 967958302 /nfs/dbraw/zinc/95/83/02/967958302.db2.gz NNPIFLZQVSAZDB-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccncc2O)CCC[C@H]1C[NH3+] ZINC001206003912 967961093 /nfs/dbraw/zinc/96/10/93/967961093.db2.gz NNPIFLZQVSAZDB-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2O)CCC[C@H]1C[NH3+] ZINC001206003912 967961113 /nfs/dbraw/zinc/96/11/13/967961113.db2.gz NNPIFLZQVSAZDB-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP Cc1cc[nH+]c(N(C)CCC[NH+](C)C)c1 ZINC001163595942 968078993 /nfs/dbraw/zinc/07/89/93/968078993.db2.gz XJWRLDIANQDUFE-UHFFFAOYSA-N 2 1 207.321 1.778 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccco2)CC[C@@H]1F ZINC001206154463 968090168 /nfs/dbraw/zinc/09/01/68/968090168.db2.gz JDSYPXKDZURXBP-WDEREUQCSA-N 2 1 212.268 1.541 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccco2)CC[C@@H]1F ZINC001206154463 968090174 /nfs/dbraw/zinc/09/01/74/968090174.db2.gz JDSYPXKDZURXBP-WDEREUQCSA-N 2 1 212.268 1.541 20 0 BDADMP Cc1cc(N2CC[C@H]([NH3+])C2)c2[nH+]ccn2c1 ZINC001164282624 968206327 /nfs/dbraw/zinc/20/63/27/968206327.db2.gz ZUDMBHXHTTWTES-JTQLQIEISA-N 2 1 216.288 1.180 20 0 BDADMP CC[N@H+]1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206302986 968210457 /nfs/dbraw/zinc/21/04/57/968210457.db2.gz WCNLJVRTKIXRIJ-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2N)CC1 ZINC001206311523 968219393 /nfs/dbraw/zinc/21/93/93/968219393.db2.gz QGEBTRHEGGUTGP-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccnc2N)CC1 ZINC001206318918 968226289 /nfs/dbraw/zinc/22/62/89/968226289.db2.gz VDDGKTXACXVMDS-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP Cc1cc2cc(NOCC[NH3+])ccc2c[nH+]1 ZINC001164439739 968232779 /nfs/dbraw/zinc/23/27/79/968232779.db2.gz XUFWRMFSWRCUIL-UHFFFAOYSA-N 2 1 217.272 1.845 20 0 BDADMP COCOCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336694 968244788 /nfs/dbraw/zinc/24/47/88/968244788.db2.gz NIMKBFMNXQXVKL-LBPRGKRZSA-N 2 1 248.342 1.150 20 0 BDADMP COCOCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336694 968244792 /nfs/dbraw/zinc/24/47/92/968244792.db2.gz NIMKBFMNXQXVKL-LBPRGKRZSA-N 2 1 248.342 1.150 20 0 BDADMP [NH3+][C@H]1C[C@@H](F)CN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001206423907 968293907 /nfs/dbraw/zinc/29/39/07/968293907.db2.gz MHODKHMCUPJKLG-MNOVXSKESA-N 2 1 248.305 1.434 20 0 BDADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206458365 968319174 /nfs/dbraw/zinc/31/91/74/968319174.db2.gz YPHOMGXKAWJBQP-FRRDWIJNSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@@H](C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1)c1ccccc1 ZINC001206511818 968347264 /nfs/dbraw/zinc/34/72/64/968347264.db2.gz CKTICMCSWGAUAK-UBHSHLNASA-N 2 1 234.343 1.042 20 0 BDADMP COc1[nH+]ccc(N)c1Nc1cc[nH+]c(N)c1 ZINC001206535413 968361837 /nfs/dbraw/zinc/36/18/37/968361837.db2.gz KERWAROXQGCKKK-UHFFFAOYSA-N 2 1 231.259 1.393 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)[nH]n1 ZINC001206542313 968368899 /nfs/dbraw/zinc/36/88/99/968368899.db2.gz XXFDJNIXJIEEJA-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)[nH]n1 ZINC001206542313 968368905 /nfs/dbraw/zinc/36/89/05/968368905.db2.gz XXFDJNIXJIEEJA-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCCC[NH3+])C1 ZINC001206540983 968369188 /nfs/dbraw/zinc/36/91/88/968369188.db2.gz DZRBNMQZUTZEHO-CYBMUJFWSA-N 3 1 227.396 1.566 20 0 BDADMP C[C@]1(CN)CCCC[N@H+](CCCCC[NH3+])C1 ZINC001206540983 968369194 /nfs/dbraw/zinc/36/91/94/968369194.db2.gz DZRBNMQZUTZEHO-CYBMUJFWSA-N 2 1 227.396 1.566 20 0 BDADMP C[C@]1(CN)CCCC[N@@H+](CCCCC[NH3+])C1 ZINC001206540983 968369198 /nfs/dbraw/zinc/36/91/98/968369198.db2.gz DZRBNMQZUTZEHO-CYBMUJFWSA-N 2 1 227.396 1.566 20 0 BDADMP CNc1nccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206624552 968423997 /nfs/dbraw/zinc/42/39/97/968423997.db2.gz WMPVITUHWHHFLF-LLVKDONJSA-N 2 1 249.362 1.079 20 0 BDADMP CNc1nccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206624552 968424001 /nfs/dbraw/zinc/42/40/01/968424001.db2.gz WMPVITUHWHHFLF-LLVKDONJSA-N 2 1 249.362 1.079 20 0 BDADMP CNc1nccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206624555 968424130 /nfs/dbraw/zinc/42/41/30/968424130.db2.gz WMPVITUHWHHFLF-NSHDSACASA-N 2 1 249.362 1.079 20 0 BDADMP CNc1nccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206624555 968424134 /nfs/dbraw/zinc/42/41/34/968424134.db2.gz WMPVITUHWHHFLF-NSHDSACASA-N 2 1 249.362 1.079 20 0 BDADMP CCO[C@@H]1CCN(Cc2cnc(C)n2C)C1 ZINC001206795333 968482696 /nfs/dbraw/zinc/48/26/96/968482696.db2.gz BQSIPYKNDNOQEU-GFCCVEGCSA-N 2 1 223.320 1.339 20 0 BDADMP CCO[C@@H]1CC[N@@H+](Cc2cnc(C)n2C)C1 ZINC001206795333 968482689 /nfs/dbraw/zinc/48/26/89/968482689.db2.gz BQSIPYKNDNOQEU-GFCCVEGCSA-N 2 1 223.320 1.339 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc[nH]c1=O)C2 ZINC001207010269 968544375 /nfs/dbraw/zinc/54/43/75/968544375.db2.gz MENYSJYUEOYZMS-TZMCWYRMSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc[nH]c1=O)C2 ZINC001207010269 968544380 /nfs/dbraw/zinc/54/43/80/968544380.db2.gz MENYSJYUEOYZMS-TZMCWYRMSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3ccc(F)cn3)C2)CC1 ZINC001207043388 968572485 /nfs/dbraw/zinc/57/24/85/968572485.db2.gz TVLWJXKUUUFXBE-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP Cc1cnc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cn1 ZINC001207080702 968613659 /nfs/dbraw/zinc/61/36/59/968613659.db2.gz ANYLTLKMBXLWMP-UHFFFAOYSA-N 2 1 246.358 1.313 20 0 BDADMP COCC1C[NH+](CC(C)(C)C[NH+](C)C)C1 ZINC001207276304 968714060 /nfs/dbraw/zinc/71/40/60/968714060.db2.gz VDNGKPCCTLLYQU-UHFFFAOYSA-N 2 1 214.353 1.152 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[C@H]1O ZINC001207391325 968747088 /nfs/dbraw/zinc/74/70/88/968747088.db2.gz FBFZXBUJZLSWGW-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001207393928 968751263 /nfs/dbraw/zinc/75/12/63/968751263.db2.gz FUGJLWGNYLFPGD-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP c1cc2c(cn1)C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207437158 968770373 /nfs/dbraw/zinc/77/03/73/968770373.db2.gz BKKPTADKKJDZGG-UHFFFAOYSA-N 2 1 217.316 1.397 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001207436258 968771429 /nfs/dbraw/zinc/77/14/29/968771429.db2.gz YVQNDGNPYYFQPB-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC001207436836 968771470 /nfs/dbraw/zinc/77/14/70/968771470.db2.gz RTPWFCCJGCCRGT-NEPJUHHUSA-N 2 1 232.318 1.758 20 0 BDADMP CN1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207440913 968772811 /nfs/dbraw/zinc/77/28/11/968772811.db2.gz LYVYEIMDVRDSSQ-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC001207479371 968792067 /nfs/dbraw/zinc/79/20/67/968792067.db2.gz GXRFVMRYYWJKCT-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CN(C)C1(C)C[NH+](CCC2CC[NH+](C)CC2)C1 ZINC001207487104 968800056 /nfs/dbraw/zinc/80/00/56/968800056.db2.gz QCJICXWFGZYNOZ-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCn3nccc3C2)CC1 ZINC001207488919 968802133 /nfs/dbraw/zinc/80/21/33/968802133.db2.gz SUXWKDKEUMQURY-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC000336672311 968823942 /nfs/dbraw/zinc/82/39/42/968823942.db2.gz JYOXHCAXJDKZTK-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC000336672311 968823949 /nfs/dbraw/zinc/82/39/49/968823949.db2.gz JYOXHCAXJDKZTK-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000336672311 968823952 /nfs/dbraw/zinc/82/39/52/968823952.db2.gz JYOXHCAXJDKZTK-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000336672311 968823957 /nfs/dbraw/zinc/82/39/57/968823957.db2.gz JYOXHCAXJDKZTK-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c12 ZINC001154974588 968826368 /nfs/dbraw/zinc/82/63/68/968826368.db2.gz FFRRGPZAUPVYDO-VHSXEESVSA-N 2 1 245.330 1.948 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001207836610 968895101 /nfs/dbraw/zinc/89/51/01/968895101.db2.gz KARBTFVSPVSBSF-HQXFNHHZSA-N 2 1 224.348 1.094 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[N@@H+]1C ZINC001207861768 968908980 /nfs/dbraw/zinc/90/89/80/968908980.db2.gz HQWIWPUHCWDLNV-OBPIAQAESA-N 2 1 224.348 1.379 20 0 BDADMP CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252785163 968960750 /nfs/dbraw/zinc/96/07/50/968960750.db2.gz AOPUMMPKOLAQEX-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001252785163 968960756 /nfs/dbraw/zinc/96/07/56/968960756.db2.gz AOPUMMPKOLAQEX-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001252785163 968960760 /nfs/dbraw/zinc/96/07/60/968960760.db2.gz AOPUMMPKOLAQEX-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H](O)C2)CC1 ZINC001208105835 969000473 /nfs/dbraw/zinc/00/04/73/969000473.db2.gz CJRYEUBBOIUGAF-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C1COC1 ZINC001208113527 969008079 /nfs/dbraw/zinc/00/80/79/969008079.db2.gz LCFIUTMOXSXUDF-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP CN(CC[NH+](C)C)CC[N@@H+](C)Cc1ccccc1 ZINC001208129991 969028156 /nfs/dbraw/zinc/02/81/56/969028156.db2.gz QGMZLALANQGHFC-UHFFFAOYSA-N 2 1 249.402 1.612 20 0 BDADMP CC(C)(C)[NH+]1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749242 969144440 /nfs/dbraw/zinc/14/44/40/969144440.db2.gz PKTFIDYZCYUTJV-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC001208603313 969154055 /nfs/dbraw/zinc/15/40/55/969154055.db2.gz AXBFPFDSXFGWBM-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CC[C@@]1(C)O ZINC001208606813 969162612 /nfs/dbraw/zinc/16/26/12/969162612.db2.gz HDAPWXVGCMFYGD-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CC[C@@]1(C)O ZINC001208606813 969162617 /nfs/dbraw/zinc/16/26/17/969162617.db2.gz HDAPWXVGCMFYGD-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC[C@@]1(C)O ZINC001208606813 969162623 /nfs/dbraw/zinc/16/26/23/969162623.db2.gz HDAPWXVGCMFYGD-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC3(COC3)C2)C1 ZINC001208607621 969165190 /nfs/dbraw/zinc/16/51/90/969165190.db2.gz MAQFAMACMDEZOP-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC3(COC3)C2)C1 ZINC001208607621 969165192 /nfs/dbraw/zinc/16/51/92/969165192.db2.gz MAQFAMACMDEZOP-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC3(COC3)C2)C1 ZINC001208607621 969165197 /nfs/dbraw/zinc/16/51/97/969165197.db2.gz MAQFAMACMDEZOP-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@]23CCOC3)C1 ZINC001208613882 969173484 /nfs/dbraw/zinc/17/34/84/969173484.db2.gz ASXIBBCXNAROPT-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@]23CCOC3)C1 ZINC001208613882 969173488 /nfs/dbraw/zinc/17/34/88/969173488.db2.gz ASXIBBCXNAROPT-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@]23CCOC3)C1 ZINC001208613882 969173492 /nfs/dbraw/zinc/17/34/92/969173492.db2.gz ASXIBBCXNAROPT-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@]23CCOC3)C1 ZINC001208613882 969173496 /nfs/dbraw/zinc/17/34/96/969173496.db2.gz ASXIBBCXNAROPT-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208617549 969178177 /nfs/dbraw/zinc/17/81/77/969178177.db2.gz PXDCZJJWOOLQRX-MCIONIFRSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208617549 969178184 /nfs/dbraw/zinc/17/81/84/969178184.db2.gz PXDCZJJWOOLQRX-MCIONIFRSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208617549 969178189 /nfs/dbraw/zinc/17/81/89/969178189.db2.gz PXDCZJJWOOLQRX-MCIONIFRSA-N 2 1 237.391 1.107 20 0 BDADMP CCCCC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC001253546853 969215939 /nfs/dbraw/zinc/21/59/39/969215939.db2.gz BBXVXNZGSGMHCD-CYBMUJFWSA-N 2 1 239.363 1.722 20 0 BDADMP CC(C)CCC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001208737127 969228852 /nfs/dbraw/zinc/22/88/52/969228852.db2.gz UXBJICYGBBDYEU-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000723470238 969318048 /nfs/dbraw/zinc/31/80/48/969318048.db2.gz RNBWMODQHZIIDR-DDHJBXDOSA-N 2 1 212.337 1.223 20 0 BDADMP COCCC[N@@H+](C)C1CCN(C)CC1 ZINC001209048545 969333806 /nfs/dbraw/zinc/33/38/06/969333806.db2.gz ZQNDKJXAUQGGCK-UHFFFAOYSA-N 2 1 200.326 1.049 20 0 BDADMP COCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209048545 969333814 /nfs/dbraw/zinc/33/38/14/969333814.db2.gz ZQNDKJXAUQGGCK-UHFFFAOYSA-N 2 1 200.326 1.049 20 0 BDADMP COCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209048545 969333822 /nfs/dbraw/zinc/33/38/22/969333822.db2.gz ZQNDKJXAUQGGCK-UHFFFAOYSA-N 2 1 200.326 1.049 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@H](O)C(C)(C)C)C2 ZINC001253731113 969353035 /nfs/dbraw/zinc/35/30/35/969353035.db2.gz LYUSOEWKBVPNFX-MBNYWOFBSA-N 2 1 240.391 1.277 20 0 BDADMP Cc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc(C)[nH+]1 ZINC001253737970 969359946 /nfs/dbraw/zinc/35/99/46/969359946.db2.gz HAZYUFMEHJMKCL-ZDUSSCGKSA-N 2 1 249.358 1.645 20 0 BDADMP CCSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096454 969388486 /nfs/dbraw/zinc/38/84/86/969388486.db2.gz WXSBKXGSIJGWCM-ZSBIGDGJSA-N 2 1 228.405 1.954 20 0 BDADMP CCSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096453 969390123 /nfs/dbraw/zinc/39/01/23/969390123.db2.gz WXSBKXGSIJGWCM-CNDDSTCGSA-N 2 1 228.405 1.954 20 0 BDADMP CCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098389 969392413 /nfs/dbraw/zinc/39/24/13/969392413.db2.gz HAVQRWIRMGXXNH-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cncc1C[NH3+])C2 ZINC001169081359 969403059 /nfs/dbraw/zinc/40/30/59/969403059.db2.gz RYMCKEMYSJNURW-URLYPYJESA-N 2 1 220.320 1.140 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081607 969403173 /nfs/dbraw/zinc/40/31/73/969403173.db2.gz UHJMZJRPSSAOCA-CLLJXQQHSA-N 2 1 233.359 1.740 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081607 969403174 /nfs/dbraw/zinc/40/31/74/969403174.db2.gz UHJMZJRPSSAOCA-CLLJXQQHSA-N 2 1 233.359 1.740 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cccnc1)C2 ZINC001169081335 969404484 /nfs/dbraw/zinc/40/44/84/969404484.db2.gz RIZAWXIIRHUFEX-QKDCVEJESA-N 2 1 245.370 1.839 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001253787589 969407738 /nfs/dbraw/zinc/40/77/38/969407738.db2.gz COSRKKKZPMFAHW-MGPQQGTHSA-N 2 1 242.407 1.712 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@]1(C)CCOC1)C2 ZINC001169119304 969413592 /nfs/dbraw/zinc/41/35/92/969413592.db2.gz RASPPVHCKIYMGH-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001169125382 969425650 /nfs/dbraw/zinc/42/56/50/969425650.db2.gz HMHNDUAAMNJCKF-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001169125382 969425655 /nfs/dbraw/zinc/42/56/55/969425655.db2.gz HMHNDUAAMNJCKF-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001169125382 969425659 /nfs/dbraw/zinc/42/56/59/969425659.db2.gz HMHNDUAAMNJCKF-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001169126723 969430935 /nfs/dbraw/zinc/43/09/35/969430935.db2.gz WZGBSMVVZCKLGF-RGDJUOJXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@@H]1O ZINC001169126723 969430938 /nfs/dbraw/zinc/43/09/38/969430938.db2.gz WZGBSMVVZCKLGF-RGDJUOJXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@@H]1O ZINC001169126723 969430943 /nfs/dbraw/zinc/43/09/43/969430943.db2.gz WZGBSMVVZCKLGF-RGDJUOJXSA-N 2 1 238.375 1.314 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169114787 969452318 /nfs/dbraw/zinc/45/23/18/969452318.db2.gz YNCAJBMOCHARLB-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP CC[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169114787 969452341 /nfs/dbraw/zinc/45/23/41/969452341.db2.gz YNCAJBMOCHARLB-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169114787 969452349 /nfs/dbraw/zinc/45/23/49/969452349.db2.gz YNCAJBMOCHARLB-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169114787 969452364 /nfs/dbraw/zinc/45/23/64/969452364.db2.gz YNCAJBMOCHARLB-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1[C@@H]3CC[C@H]1C[NH+](C)C3)C2 ZINC001169143331 969462399 /nfs/dbraw/zinc/46/23/99/969462399.db2.gz ZVYRJZMSIMIXCI-OYQDBORRSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1[C@@H]3CC[C@H]1C[N@@H+](C)C3)C2 ZINC001169143331 969462410 /nfs/dbraw/zinc/46/24/10/969462410.db2.gz ZVYRJZMSIMIXCI-OYQDBORRSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1[C@@H]3CC[C@H]1C[N@H+](C)C3)C2 ZINC001169143331 969462421 /nfs/dbraw/zinc/46/24/21/969462421.db2.gz ZVYRJZMSIMIXCI-OYQDBORRSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143331 969462449 /nfs/dbraw/zinc/46/24/49/969462449.db2.gz ZVYRJZMSIMIXCI-OYQDBORRSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143331 969462459 /nfs/dbraw/zinc/46/24/59/969462459.db2.gz ZVYRJZMSIMIXCI-OYQDBORRSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143331 969462466 /nfs/dbraw/zinc/46/24/66/969462466.db2.gz ZVYRJZMSIMIXCI-OYQDBORRSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143331 969462474 /nfs/dbraw/zinc/46/24/74/969462474.db2.gz ZVYRJZMSIMIXCI-OYQDBORRSA-N 2 1 249.402 1.390 20 0 BDADMP CO[C@@H](C)C1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169154420 969474521 /nfs/dbraw/zinc/47/45/21/969474521.db2.gz QDGFDLRHOJEFRJ-DEQVHRJGSA-N 2 1 238.375 1.578 20 0 BDADMP CCO[C@@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169261673 969518168 /nfs/dbraw/zinc/51/81/68/969518168.db2.gz LIKDHLFZPKBCSM-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@@H]1CC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169261673 969518179 /nfs/dbraw/zinc/51/81/79/969518179.db2.gz LIKDHLFZPKBCSM-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC001169266643 969523875 /nfs/dbraw/zinc/52/38/75/969523875.db2.gz ZQNQBBKRKZJLQP-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC001169266643 969523881 /nfs/dbraw/zinc/52/38/81/969523881.db2.gz ZQNQBBKRKZJLQP-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCCOC2)CC1 ZINC001169265567 969526612 /nfs/dbraw/zinc/52/66/12/969526612.db2.gz YCJAHSVJNPDJAV-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC001169265567 969526616 /nfs/dbraw/zinc/52/66/16/969526616.db2.gz YCJAHSVJNPDJAV-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001169245515 969528464 /nfs/dbraw/zinc/52/84/64/969528464.db2.gz GNBRYPCAYMFYLE-UHFFFAOYSA-N 2 1 214.328 1.905 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001169245194 969529473 /nfs/dbraw/zinc/52/94/73/969529473.db2.gz BPIOVPJAIWXUEW-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H](O)CC2)CC1 ZINC001169245194 969529482 /nfs/dbraw/zinc/52/94/82/969529482.db2.gz BPIOVPJAIWXUEW-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](C)[C@@H]2CO)CC1 ZINC001169245526 969535805 /nfs/dbraw/zinc/53/58/05/969535805.db2.gz GVQKUCWCVBUHMB-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccon1)CC2 ZINC001209567722 969551756 /nfs/dbraw/zinc/55/17/56/969551756.db2.gz KZDZDWUUEWMTHZ-UHFFFAOYSA-N 2 1 221.304 1.202 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](OC)C[C@H]2C)CC1 ZINC001169267906 969553996 /nfs/dbraw/zinc/55/39/96/969553996.db2.gz BTXPAZUEIXUFTI-OCCSQVGLSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](OC)C[C@H]2C)CC1 ZINC001169267906 969554000 /nfs/dbraw/zinc/55/40/00/969554000.db2.gz BTXPAZUEIXUFTI-OCCSQVGLSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)[nH]1 ZINC001209576718 969560690 /nfs/dbraw/zinc/56/06/90/969560690.db2.gz CLBQHGFJWQIETF-AWEZNQCLSA-N 2 1 233.359 1.851 20 0 BDADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)[nH]1 ZINC001209576718 969560694 /nfs/dbraw/zinc/56/06/94/969560694.db2.gz CLBQHGFJWQIETF-AWEZNQCLSA-N 2 1 233.359 1.851 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001209576718 969560698 /nfs/dbraw/zinc/56/06/98/969560698.db2.gz CLBQHGFJWQIETF-AWEZNQCLSA-N 2 1 233.359 1.851 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001209576718 969560703 /nfs/dbraw/zinc/56/07/03/969560703.db2.gz CLBQHGFJWQIETF-AWEZNQCLSA-N 2 1 233.359 1.851 20 0 BDADMP CC1(C)CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209728305 969580360 /nfs/dbraw/zinc/58/03/60/969580360.db2.gz PZOUEHBCZBQRMG-UHFFFAOYSA-N 2 1 205.305 1.869 20 0 BDADMP CC1(C)CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209728305 969580352 /nfs/dbraw/zinc/58/03/52/969580352.db2.gz PZOUEHBCZBQRMG-UHFFFAOYSA-N 2 1 205.305 1.869 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001209732756 969593958 /nfs/dbraw/zinc/59/39/58/969593958.db2.gz DEQCYRSGNAAATI-ZYHUDNBSSA-N 2 1 245.326 1.295 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001209732756 969593964 /nfs/dbraw/zinc/59/39/64/969593964.db2.gz DEQCYRSGNAAATI-ZYHUDNBSSA-N 2 1 245.326 1.295 20 0 BDADMP CCCOC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209733954 969593986 /nfs/dbraw/zinc/59/39/86/969593986.db2.gz JCWYUDNFSBRZNO-UHFFFAOYSA-N 2 1 249.358 1.885 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001209732186 969594308 /nfs/dbraw/zinc/59/43/08/969594308.db2.gz ZFYONWRNVJWWSC-VWUVDNNOSA-N 2 1 245.326 1.103 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001209732186 969594313 /nfs/dbraw/zinc/59/43/13/969594313.db2.gz ZFYONWRNVJWWSC-VWUVDNNOSA-N 2 1 245.326 1.103 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCCCCCC[NH3+])CC1 ZINC001254507058 969651866 /nfs/dbraw/zinc/65/18/66/969651866.db2.gz DYGNHIJBSUIPEL-CQSZACIVSA-N 3 1 241.423 1.970 20 0 BDADMP CN1CCC[C@@H]([NH2+]CCCCCCC[NH3+])CC1 ZINC001254507058 969651873 /nfs/dbraw/zinc/65/18/73/969651873.db2.gz DYGNHIJBSUIPEL-CQSZACIVSA-N 2 1 241.423 1.970 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(=O)CC2)CC1 ZINC001254502489 969665589 /nfs/dbraw/zinc/66/55/89/969665589.db2.gz DWBHIFBNABMVDP-LLVKDONJSA-N 2 1 224.348 1.572 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(=O)CC2)CC1 ZINC001254502489 969665594 /nfs/dbraw/zinc/66/55/94/969665594.db2.gz DWBHIFBNABMVDP-LLVKDONJSA-N 2 1 224.348 1.572 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001209856956 969670003 /nfs/dbraw/zinc/67/00/03/969670003.db2.gz YXXOCIPLDICONL-TXEJJXNPSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC1(C)CC[NH2+]CC1 ZINC001209856956 969670005 /nfs/dbraw/zinc/67/00/05/969670005.db2.gz YXXOCIPLDICONL-TXEJJXNPSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@H+]1CCC[C@@H](N(C(N)=[NH2+])c2ccccc2)CC1 ZINC001254504324 969670502 /nfs/dbraw/zinc/67/05/02/969670502.db2.gz TZBPGROURICUDZ-CYBMUJFWSA-N 2 1 246.358 1.871 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ncccn2)CC1 ZINC001254505902 969671324 /nfs/dbraw/zinc/67/13/24/969671324.db2.gz LLLSXFPIWKTPRK-GFCCVEGCSA-N 2 1 234.347 1.093 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC(=O)C2)CC1 ZINC001254506862 969672824 /nfs/dbraw/zinc/67/28/24/969672824.db2.gz BROCYHXRHMNVSG-RYUDHWBXSA-N 2 1 224.348 1.572 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC(=O)C2)CC1 ZINC001254506862 969672827 /nfs/dbraw/zinc/67/28/27/969672827.db2.gz BROCYHXRHMNVSG-RYUDHWBXSA-N 2 1 224.348 1.572 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCC2COC2)CC1 ZINC001254506073 969675901 /nfs/dbraw/zinc/67/59/01/969675901.db2.gz OSDYUGYCRPVNMI-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]2CO)CC1 ZINC001254513845 969682075 /nfs/dbraw/zinc/68/20/75/969682075.db2.gz GHTJQXMYOJSXRC-XQQFMLRXSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@@H+](CCOC)[C@H]1CCC[NH+](C)CC1 ZINC001254515843 969686503 /nfs/dbraw/zinc/68/65/03/969686503.db2.gz DXIQTRGXFAMRIB-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CCOC)[C@H]1CCC[N@H+](C)CC1 ZINC001254515843 969686511 /nfs/dbraw/zinc/68/65/11/969686511.db2.gz DXIQTRGXFAMRIB-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CCOC)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515843 969686514 /nfs/dbraw/zinc/68/65/14/969686514.db2.gz DXIQTRGXFAMRIB-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@]2(C)CCCOC2)CC1 ZINC001254514531 969687913 /nfs/dbraw/zinc/68/79/13/969687913.db2.gz MCBIJFVSBLLFCD-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH+](C)[C@H]1CCN([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516326 969689377 /nfs/dbraw/zinc/68/93/77/969689377.db2.gz LWMDVDJUEAXQNT-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@](C)(O)C2)CC1 ZINC001254524384 969706638 /nfs/dbraw/zinc/70/66/38/969706638.db2.gz WHTCCIYXRHYILA-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001254524384 969706646 /nfs/dbraw/zinc/70/66/46/969706646.db2.gz WHTCCIYXRHYILA-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001254524384 969706650 /nfs/dbraw/zinc/70/66/50/969706650.db2.gz WHTCCIYXRHYILA-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCOCC23CCC3)CC1 ZINC001254526767 969717077 /nfs/dbraw/zinc/71/70/77/969717077.db2.gz UNDYZGLRVVXIMT-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCOCC23CCC3)CC1 ZINC001254526767 969717084 /nfs/dbraw/zinc/71/70/84/969717084.db2.gz UNDYZGLRVVXIMT-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCOCC23CCC3)CC1 ZINC001254526767 969717088 /nfs/dbraw/zinc/71/70/88/969717088.db2.gz UNDYZGLRVVXIMT-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCOCC23CCC3)CC1 ZINC001254526767 969717100 /nfs/dbraw/zinc/71/71/00/969717100.db2.gz UNDYZGLRVVXIMT-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP CN(CC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525500 969717564 /nfs/dbraw/zinc/71/75/64/969717564.db2.gz JTUJXCPQTCOULG-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[N@@H+]([C@H]1CCCOC1)[C@H]1CCC[NH+](C)CC1 ZINC001254533637 969724618 /nfs/dbraw/zinc/72/46/18/969724618.db2.gz NZTGRQCNSBOHIJ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]([C@H]1CCCOC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254533637 969724628 /nfs/dbraw/zinc/72/46/28/969724628.db2.gz NZTGRQCNSBOHIJ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]([C@H]1CCCOC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254533637 969724637 /nfs/dbraw/zinc/72/46/37/969724637.db2.gz NZTGRQCNSBOHIJ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530603 969731098 /nfs/dbraw/zinc/73/10/98/969731098.db2.gz ZIULRYXSJBBFGR-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530603 969731103 /nfs/dbraw/zinc/73/11/03/969731103.db2.gz ZIULRYXSJBBFGR-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530603 969731108 /nfs/dbraw/zinc/73/11/08/969731108.db2.gz ZIULRYXSJBBFGR-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530603 969731113 /nfs/dbraw/zinc/73/11/13/969731113.db2.gz ZIULRYXSJBBFGR-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(COc2cccnc2)CC1 ZINC001210029222 969764714 /nfs/dbraw/zinc/76/47/14/969764714.db2.gz SGRAHFIYYFPMHJ-GFCCVEGCSA-N 2 1 249.358 1.520 20 0 BDADMP [NH3+]CCc1c[nH+]cn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254834712 969796694 /nfs/dbraw/zinc/79/66/94/969796694.db2.gz YHZWMGAOGSUISE-ZDUSSCGKSA-N 3 1 234.347 1.041 20 0 BDADMP C[N@@H+]1CCOC[C@@H]1CNc1ccc2c(c1)C[NH2+]C2 ZINC001169652661 969799693 /nfs/dbraw/zinc/79/96/93/969799693.db2.gz ADNBBIMPSPPLOE-AWEZNQCLSA-N 2 1 247.342 1.032 20 0 BDADMP C[N@H+]1CCOC[C@@H]1CNc1ccc2c(c1)C[NH2+]C2 ZINC001169652661 969799698 /nfs/dbraw/zinc/79/96/98/969799698.db2.gz ADNBBIMPSPPLOE-AWEZNQCLSA-N 2 1 247.342 1.032 20 0 BDADMP C[NH+]1CC2(C1)CCN([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254863528 969812549 /nfs/dbraw/zinc/81/25/49/969812549.db2.gz HGKSUUQPSKUXLH-CQSZACIVSA-N 2 1 249.402 1.108 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254866525 969813316 /nfs/dbraw/zinc/81/33/16/969813316.db2.gz PKKUSRWCEJDDBN-ZNMIVQPWSA-N 2 1 249.402 1.249 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254922196 969822438 /nfs/dbraw/zinc/82/24/38/969822438.db2.gz MVLYPRIHUJZRDB-VXGBXAGGSA-N 2 1 238.375 1.803 20 0 BDADMP [NH3+]CCCCC[N@@H+]1CCNC[C@@H]1c1ccccc1 ZINC001210197158 969829418 /nfs/dbraw/zinc/82/94/18/969829418.db2.gz XYXCUCWLFCEISO-OAHLLOKOSA-N 2 1 247.386 1.762 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC001210197158 969829422 /nfs/dbraw/zinc/82/94/22/969829422.db2.gz XYXCUCWLFCEISO-OAHLLOKOSA-N 2 1 247.386 1.762 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cccc(N)c2)CC[NH2+]1 ZINC001210496495 969906022 /nfs/dbraw/zinc/90/60/22/969906022.db2.gz HKQLQODLWCIWKK-NSHDSACASA-N 2 1 219.332 1.453 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(N)c2)CC[NH2+]1 ZINC001210496495 969906031 /nfs/dbraw/zinc/90/60/31/969906031.db2.gz HKQLQODLWCIWKK-NSHDSACASA-N 2 1 219.332 1.453 20 0 BDADMP C[NH2+][C@H]1CCN1c1[nH+]ccc2c1ccn2C ZINC001156649226 969964738 /nfs/dbraw/zinc/96/47/38/969964738.db2.gz WNSHLLGAYIXVHP-LLVKDONJSA-N 2 1 216.288 1.329 20 0 BDADMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCC(C)(C)CC1 ZINC001255297974 970062947 /nfs/dbraw/zinc/06/29/47/970062947.db2.gz QCZWJZRZNWXXEN-SNVBAGLBSA-N 2 1 242.363 1.293 20 0 BDADMP CCCC[C@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001255316590 970090831 /nfs/dbraw/zinc/09/08/31/970090831.db2.gz ZZOWYPWAPWZZCH-GXTWGEPZSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@H+]1CC[C@H](n2nc(CC[NH3+])c3ccccc32)C1 ZINC001255417411 970138530 /nfs/dbraw/zinc/13/85/30/970138530.db2.gz MGVGFQSHUJZRFP-NSHDSACASA-N 2 1 244.342 1.414 20 0 BDADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@H](C)CCCC(C)C ZINC001170067777 970140598 /nfs/dbraw/zinc/14/05/98/970140598.db2.gz COSXBZYRNVQJTO-VXGBXAGGSA-N 2 1 244.379 1.539 20 0 BDADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(C)C2)[C@H](C)C1 ZINC001255425450 970151372 /nfs/dbraw/zinc/15/13/72/970151372.db2.gz GNUDTNAFAOYPGH-HZSPNIEDSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001255425450 970151374 /nfs/dbraw/zinc/15/13/74/970151374.db2.gz GNUDTNAFAOYPGH-HZSPNIEDSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001255425450 970151376 /nfs/dbraw/zinc/15/13/76/970151376.db2.gz GNUDTNAFAOYPGH-HZSPNIEDSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001255425450 970151379 /nfs/dbraw/zinc/15/13/79/970151379.db2.gz GNUDTNAFAOYPGH-HZSPNIEDSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001255425450 970151383 /nfs/dbraw/zinc/15/13/83/970151383.db2.gz GNUDTNAFAOYPGH-HZSPNIEDSA-N 2 1 239.407 1.399 20 0 BDADMP C[NH2+]Cc1ccc(Nc2c[nH+]ncc2N)cc1 ZINC001211128917 970156906 /nfs/dbraw/zinc/15/69/06/970156906.db2.gz MYXKKUDBYJUWLD-UHFFFAOYSA-N 2 1 229.287 1.522 20 0 BDADMP CCCN(CCC[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC001255468551 970193141 /nfs/dbraw/zinc/19/31/41/970193141.db2.gz VDXZHDNYSNCTAW-LBPRGKRZSA-N 2 1 213.369 1.141 20 0 BDADMP C[NH2+]Cc1ccc(N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001255486484 970232831 /nfs/dbraw/zinc/23/28/31/970232831.db2.gz LZQMLHZPYWEEDP-AWEZNQCLSA-N 2 1 233.359 1.912 20 0 BDADMP C[NH+](C)[C@@H]1CCCN([C@H]2CCC[N@@H+](C)C2)C1 ZINC001255485338 970238828 /nfs/dbraw/zinc/23/88/28/970238828.db2.gz BLGFLTUYRUXHHJ-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN([C@H]2CCC[N@@H+](C)C2)C1 ZINC001255489832 970243763 /nfs/dbraw/zinc/24/37/63/970243763.db2.gz QPPHAQBPCXCIOF-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP Cc1cc2c(nc[nH+]c2NC2(C)CC[NH2+]CC2)[nH]1 ZINC001157401628 970250301 /nfs/dbraw/zinc/25/03/01/970250301.db2.gz NYGMMIWSVTYXJZ-UHFFFAOYSA-N 2 1 245.330 1.820 20 0 BDADMP CN1CCC[C@H]([N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)C1 ZINC001255495468 970258097 /nfs/dbraw/zinc/25/80/97/970258097.db2.gz PTLWANKKMPLVCE-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP COC[C@H](C)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001255582749 970386649 /nfs/dbraw/zinc/38/66/49/970386649.db2.gz ZBHPMKNTYUAKMK-NSHDSACASA-N 2 1 226.364 1.580 20 0 BDADMP COC[C@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001255582749 970386658 /nfs/dbraw/zinc/38/66/58/970386658.db2.gz ZBHPMKNTYUAKMK-NSHDSACASA-N 2 1 226.364 1.580 20 0 BDADMP COC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001255582749 970386669 /nfs/dbraw/zinc/38/66/69/970386669.db2.gz ZBHPMKNTYUAKMK-NSHDSACASA-N 2 1 226.364 1.580 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)COC)C[C@@H]2C1 ZINC001255582931 970387131 /nfs/dbraw/zinc/38/71/31/970387131.db2.gz FCMQKXMUKNAGKQ-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC2(CC1)OCCO2 ZINC001255617577 970401971 /nfs/dbraw/zinc/40/19/71/970401971.db2.gz OMJIEGYSIOKJGC-LLVKDONJSA-N 2 1 242.363 1.199 20 0 BDADMP CN(CC[NH+](C)C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673834 970451586 /nfs/dbraw/zinc/45/15/86/970451586.db2.gz GDORGGUSMUGHMX-PBWFPOADSA-N 2 1 239.407 1.495 20 0 BDADMP CO[C@@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674335 970452195 /nfs/dbraw/zinc/45/21/95/970452195.db2.gz QBYHINBYAJUVRK-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255674335 970452215 /nfs/dbraw/zinc/45/22/15/970452215.db2.gz QBYHINBYAJUVRK-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255674335 970452224 /nfs/dbraw/zinc/45/22/24/970452224.db2.gz QBYHINBYAJUVRK-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@@H](C)C[NH3+])CCO1 ZINC001170182609 970559257 /nfs/dbraw/zinc/55/92/57/970559257.db2.gz NJWQBDHFWWZNMU-QJPTWQEYSA-N 2 1 214.353 1.471 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001255966994 970600254 /nfs/dbraw/zinc/60/02/54/970600254.db2.gz NKVVDVUXKDOCPG-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001255966994 970600265 /nfs/dbraw/zinc/60/02/65/970600265.db2.gz NKVVDVUXKDOCPG-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H](CO)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071153 970636101 /nfs/dbraw/zinc/63/61/01/970636101.db2.gz ONAIXAAENVELMX-LLVKDONJSA-N 2 1 226.364 1.221 20 0 BDADMP O[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072355 970639361 /nfs/dbraw/zinc/63/93/61/970639361.db2.gz CLJDVAUOSVYCTM-ZDUSSCGKSA-N 2 1 224.348 1.070 20 0 BDADMP O[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072355 970639363 /nfs/dbraw/zinc/63/93/63/970639363.db2.gz CLJDVAUOSVYCTM-ZDUSSCGKSA-N 2 1 224.348 1.070 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CCCO1 ZINC001256073332 970640771 /nfs/dbraw/zinc/64/07/71/970640771.db2.gz RLLFFCMUIGRQAI-LBPRGKRZSA-N 2 1 238.375 1.724 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CCCO1 ZINC001256073332 970640779 /nfs/dbraw/zinc/64/07/79/970640779.db2.gz RLLFFCMUIGRQAI-LBPRGKRZSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@H+](CC1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256073009 970640936 /nfs/dbraw/zinc/64/09/36/970640936.db2.gz LRLXDYWMVYXOPI-UHFFFAOYSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@@H+](CC1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256073009 970640942 /nfs/dbraw/zinc/64/09/42/970640942.db2.gz LRLXDYWMVYXOPI-UHFFFAOYSA-N 2 1 208.349 1.955 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256073827 970644002 /nfs/dbraw/zinc/64/40/02/970644002.db2.gz ZYMWMROMWDNTJL-FZMZJTMJSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256073827 970644008 /nfs/dbraw/zinc/64/40/08/970644008.db2.gz ZYMWMROMWDNTJL-FZMZJTMJSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1CC2(C1)CCN(C1CC[NH+](C3CC3)CC1)C2 ZINC001256081822 970649751 /nfs/dbraw/zinc/64/97/51/970649751.db2.gz NEKGYNHHWGUOES-UHFFFAOYSA-N 2 1 249.402 1.251 20 0 BDADMP C[NH+]1CCC([NH2+]CCCC[NH+]2CCCC2)CC1 ZINC001256194618 970685792 /nfs/dbraw/zinc/68/57/92/970685792.db2.gz JYJIHEDLNGAMIT-UHFFFAOYSA-N 3 1 239.407 1.546 20 0 BDADMP COc1cc(CC[NH2+]C2CC[NH+](C)CC2)ccn1 ZINC001256196240 970688442 /nfs/dbraw/zinc/68/84/42/970688442.db2.gz BDGLUBKRBCRXSH-UHFFFAOYSA-N 2 1 249.358 1.317 20 0 BDADMP CCOC(=O)C(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC001256200348 970697584 /nfs/dbraw/zinc/69/75/84/970697584.db2.gz SBUQXFXIUHBJRZ-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001256211470 970719588 /nfs/dbraw/zinc/71/95/88/970719588.db2.gz XYVRIVVOGRJVMY-CQSZACIVSA-N 2 1 239.407 1.495 20 0 BDADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H](C)CCC(C)C ZINC001256355622 970753629 /nfs/dbraw/zinc/75/36/29/970753629.db2.gz ZOVBBRRLGNSWPZ-MNOVXSKESA-N 2 1 230.352 1.149 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000402142628 970762754 /nfs/dbraw/zinc/76/27/54/970762754.db2.gz MKAIUZNKGIBALD-AVGNSLFASA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246540337 972556153 /nfs/dbraw/zinc/55/61/53/972556153.db2.gz GITUMLLBQLFWBR-QWHCGFSZSA-N 2 1 233.359 1.826 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnccc1C ZINC001327414799 972569773 /nfs/dbraw/zinc/56/97/73/972569773.db2.gz DYTGDUHWVPGNDH-NSHDSACASA-N 2 1 207.321 1.478 20 0 BDADMP CC1CCC([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246544660 972606274 /nfs/dbraw/zinc/60/62/74/972606274.db2.gz ROEWMRBEBBRYQR-RUXDESIVSA-N 2 1 240.391 1.741 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545431 972632879 /nfs/dbraw/zinc/63/28/79/972632879.db2.gz VSBLVIOPFPMDQG-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001246548087 972678341 /nfs/dbraw/zinc/67/83/41/972678341.db2.gz QPCPKPPTXRJPRR-KBPBESRZSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001246548087 972678344 /nfs/dbraw/zinc/67/83/44/972678344.db2.gz QPCPKPPTXRJPRR-KBPBESRZSA-N 2 1 237.391 1.284 20 0 BDADMP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246564122 972802738 /nfs/dbraw/zinc/80/27/38/972802738.db2.gz YWOJZCOCPKYQSS-SRVKXCTJSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](O)CC2)CC[NH2+]1 ZINC001246557677 972770902 /nfs/dbraw/zinc/77/09/02/972770902.db2.gz NVVWNFMKJMAQBY-NDBYEHHHSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246574886 972870975 /nfs/dbraw/zinc/87/09/75/972870975.db2.gz BXMXIIGFXJPUJO-SOUVJXGZSA-N 2 1 248.370 1.259 20 0 BDADMP CC[C@@H]1C[C@@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246579685 972907263 /nfs/dbraw/zinc/90/72/63/972907263.db2.gz CXKCLMUYVYFHSR-VWYCJHECSA-N 2 1 247.333 1.185 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580419 972921967 /nfs/dbraw/zinc/92/19/67/972921967.db2.gz GNZKRAHJJXCWBR-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246580419 972921982 /nfs/dbraw/zinc/92/19/82/972921982.db2.gz GNZKRAHJJXCWBR-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP CCCC(CCC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246627480 973044154 /nfs/dbraw/zinc/04/41/54/973044154.db2.gz WJMDBYCBAAIAAV-AWEZNQCLSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246640195 973060414 /nfs/dbraw/zinc/06/04/14/973060414.db2.gz BXMZQWLYNBFRAI-CHWSQXEVSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246640201 973060837 /nfs/dbraw/zinc/06/08/37/973060837.db2.gz BXMZQWLYNBFRAI-OLZOCXBDSA-N 3 1 237.391 1.202 20 0 BDADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)[C@H]1C ZINC001246825094 973121750 /nfs/dbraw/zinc/12/17/50/973121750.db2.gz UCJVQJKUDVHCJW-CMPLNLGQSA-N 2 1 240.347 1.012 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246854875 973167600 /nfs/dbraw/zinc/16/76/00/973167600.db2.gz REOXLGWWSJJIJP-WUHRBBMRSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[NH2+]1 ZINC001246875152 973266385 /nfs/dbraw/zinc/26/63/85/973266385.db2.gz XQPBCQDUYOSPGS-ROHXPCBUSA-N 2 1 212.312 1.274 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[NH2+]1 ZINC001246875147 973269877 /nfs/dbraw/zinc/26/98/77/973269877.db2.gz XQPBCQDUYOSPGS-KZZRWZIVSA-N 2 1 212.312 1.274 20 0 BDADMP C1[NH2+]CC12C[C@H]([N@H+]1[C@H]3CC[C@@H]1CCC3)CCN2 ZINC001246883068 973329026 /nfs/dbraw/zinc/32/90/26/973329026.db2.gz ULSCAOZQWFNSQV-FRRDWIJNSA-N 2 1 235.375 1.097 20 0 BDADMP CC[NH+]1CC(OCC2CC[NH+](C)CC2)C1 ZINC001224450378 973651476 /nfs/dbraw/zinc/65/14/76/973651476.db2.gz MEUJFCNFZACHQG-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH2+]1 ZINC001246962128 973673916 /nfs/dbraw/zinc/67/39/16/973673916.db2.gz CXUFJMBTGHNERQ-RVOPOGNISA-N 2 1 237.391 1.294 20 0 BDADMP C[NH+](C)CCCCO[C@@H]1CCC[N@@H+](C)CC1 ZINC001224991779 974122737 /nfs/dbraw/zinc/12/27/37/974122737.db2.gz AWDTYOMJALNUCQ-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171773810 974159074 /nfs/dbraw/zinc/15/90/74/974159074.db2.gz PDQGLXIMLYPVMA-SNVBAGLBSA-N 2 1 222.307 1.620 20 0 BDADMP N[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1F ZINC001206156940 974333780 /nfs/dbraw/zinc/33/37/80/974333780.db2.gz UOEICFQMQFIJQR-SDDRHHMPSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1F ZINC001206156940 974333799 /nfs/dbraw/zinc/33/37/99/974333799.db2.gz UOEICFQMQFIJQR-SDDRHHMPSA-N 2 1 230.327 1.317 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C)COC1)C2 ZINC001172099317 974336884 /nfs/dbraw/zinc/33/68/84/974336884.db2.gz JGKXMRBPMOCBAO-XYYAHUGASA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(O)C1)C2 ZINC001172101420 974341577 /nfs/dbraw/zinc/34/15/77/974341577.db2.gz YCRQBKUJOBNRKY-VNAIHZQWSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(O)C1)C2 ZINC001172101420 974341586 /nfs/dbraw/zinc/34/15/86/974341586.db2.gz YCRQBKUJOBNRKY-VNAIHZQWSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nccc1C[NH3+])C2 ZINC001172100707 974343827 /nfs/dbraw/zinc/34/38/27/974343827.db2.gz RPMAZJUKSRSIPW-PTEHBNRSSA-N 2 1 234.347 1.530 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CSC1)C2 ZINC001172105112 974365977 /nfs/dbraw/zinc/36/59/77/974365977.db2.gz GWEADSNOTMJAFE-XYYAHUGASA-N 2 1 240.416 1.954 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H]1C[NH3+])C2 ZINC001172104835 974367273 /nfs/dbraw/zinc/36/72/73/974367273.db2.gz GIVREJKUDPJGCR-RFQIPJPRSA-N 2 1 237.391 1.425 20 0 BDADMP CN(CC[NH+](C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112852 974371835 /nfs/dbraw/zinc/37/18/35/974371835.db2.gz GDORGGUSMUGHMX-BTTYYORXSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)C1CC1)C2 ZINC001172115910 974381217 /nfs/dbraw/zinc/38/12/17/974381217.db2.gz WBZIMDXADPNSOR-YIYPIFLZSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119977 974383230 /nfs/dbraw/zinc/38/32/30/974383230.db2.gz IDEZLXSXBAYSQH-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119977 974383242 /nfs/dbraw/zinc/38/32/42/974383242.db2.gz IDEZLXSXBAYSQH-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119977 974383251 /nfs/dbraw/zinc/38/32/51/974383251.db2.gz IDEZLXSXBAYSQH-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119977 974383260 /nfs/dbraw/zinc/38/32/60/974383260.db2.gz IDEZLXSXBAYSQH-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224448 974459878 /nfs/dbraw/zinc/45/98/78/974459878.db2.gz PUHMMQXRPVFUDI-YEJSDXFRSA-N 2 1 212.337 1.223 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1COC(C)(C)C1 ZINC001172269879 974487982 /nfs/dbraw/zinc/48/79/82/974487982.db2.gz ITONKAIZYXQDFS-NSHDSACASA-N 2 1 214.353 1.615 20 0 BDADMP COCCC[NH+]1CCC([NH2+]C2(C)CC2)CC1 ZINC001172244030 974509420 /nfs/dbraw/zinc/50/94/20/974509420.db2.gz WWTVCBPSOMUBKV-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+](C1CC1)C1CC[NH+](CCCOC)CC1 ZINC001172249603 974513164 /nfs/dbraw/zinc/51/31/64/974513164.db2.gz LBZOCYHYZBVIHJ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@@H+](C1CC1)C1CC[NH+](CCCOC)CC1 ZINC001172249603 974513170 /nfs/dbraw/zinc/51/31/70/974513170.db2.gz LBZOCYHYZBVIHJ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172463436 974829040 /nfs/dbraw/zinc/82/90/40/974829040.db2.gz OKHBQCGKHPTSNM-STQMWFEESA-N 2 1 230.396 1.964 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1F ZINC001206167427 974886413 /nfs/dbraw/zinc/88/64/13/974886413.db2.gz YRSQEHKDABKONA-GHMZBOCLSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1F ZINC001206167427 974886415 /nfs/dbraw/zinc/88/64/15/974886415.db2.gz YRSQEHKDABKONA-GHMZBOCLSA-N 2 1 239.294 1.048 20 0 BDADMP Nc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197249 975089349 /nfs/dbraw/zinc/08/93/49/975089349.db2.gz HBLDORQLXRWNNM-AAEUAGOBSA-N 2 1 237.322 1.530 20 0 BDADMP Nc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197249 975089354 /nfs/dbraw/zinc/08/93/54/975089354.db2.gz HBLDORQLXRWNNM-AAEUAGOBSA-N 2 1 237.322 1.530 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001173350000 975290744 /nfs/dbraw/zinc/29/07/44/975290744.db2.gz HVSBYROIOCOBEI-GFCCVEGCSA-N 2 1 232.331 1.481 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001173349457 975293230 /nfs/dbraw/zinc/29/32/30/975293230.db2.gz GMKFSGZZTGAARZ-SNVBAGLBSA-N 2 1 237.322 1.791 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001173355187 975310236 /nfs/dbraw/zinc/31/02/36/975310236.db2.gz NFFBWHXXBARXFI-TZMCWYRMSA-N 2 1 245.370 1.991 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001173355186 975312443 /nfs/dbraw/zinc/31/24/43/975312443.db2.gz NFFBWHXXBARXFI-OCCSQVGLSA-N 2 1 245.370 1.991 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001173366100 975347524 /nfs/dbraw/zinc/34/75/24/975347524.db2.gz WKHNJRAMNNHFQD-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001173366100 975347532 /nfs/dbraw/zinc/34/75/32/975347532.db2.gz WKHNJRAMNNHFQD-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001173366100 975347541 /nfs/dbraw/zinc/34/75/41/975347541.db2.gz WKHNJRAMNNHFQD-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC3(C2)CC[NH+](C)CC3)C1 ZINC001173368979 975348426 /nfs/dbraw/zinc/34/84/26/975348426.db2.gz RWDVBKIACBBAMD-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP CCN1CC[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)C1 ZINC001173368979 975348431 /nfs/dbraw/zinc/34/84/31/975348431.db2.gz RWDVBKIACBBAMD-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC3(C2)CC[NH+](C)CC3)C1 ZINC001173368983 975348788 /nfs/dbraw/zinc/34/87/88/975348788.db2.gz RWDVBKIACBBAMD-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP CCN1CC[C@H]([NH+]2CC3(C2)CC[NH+](C)CC3)C1 ZINC001173368983 975348790 /nfs/dbraw/zinc/34/87/90/975348790.db2.gz RWDVBKIACBBAMD-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH2+]C[C@H](C)CNCc1ccc2c(c1)C[NH2+]CC2 ZINC001333145879 975496970 /nfs/dbraw/zinc/49/69/70/975496970.db2.gz RZNFUQNWUPMPBQ-LBPRGKRZSA-N 2 1 247.386 1.277 20 0 BDADMP Cc1cccnc1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001333385832 975739268 /nfs/dbraw/zinc/73/92/68/975739268.db2.gz FPLFSNUXBWEIHP-HIFRSBDPSA-N 2 1 245.370 1.774 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001335369382 977006487 /nfs/dbraw/zinc/00/64/87/977006487.db2.gz VMUOFBNNZBORRO-KBPBESRZSA-N 2 1 242.407 1.715 20 0 BDADMP C[N@H+]1C[C@@H]2CN(c3cc[nH+]cc3)C[C@]2(C)C1 ZINC001336423551 977674323 /nfs/dbraw/zinc/67/43/23/977674323.db2.gz LOUYPXYVNLQOQD-YPMHNXCESA-N 2 1 217.316 1.470 20 0 BDADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc2c[nH+]cn21 ZINC001277559729 977730714 /nfs/dbraw/zinc/73/07/14/977730714.db2.gz HYBXEMOVVXOUJN-OKILXGFUSA-N 2 1 242.326 1.223 20 0 BDADMP O[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011764 977839926 /nfs/dbraw/zinc/83/99/26/977839926.db2.gz OTOVJBLSKRDXSQ-LLVKDONJSA-N 2 1 217.272 1.130 20 0 BDADMP OC[C@H]1CCCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012176 977840031 /nfs/dbraw/zinc/84/00/31/977840031.db2.gz UVOQPWYGCQDPAZ-CYBMUJFWSA-N 2 1 245.326 1.910 20 0 BDADMP c1c2c[nH+]ccc2[nH]c1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001232018421 977845494 /nfs/dbraw/zinc/84/54/94/977845494.db2.gz KYNJRAAUEHXMDA-CYBMUJFWSA-N 2 1 242.326 1.453 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)[nH+]1 ZINC001336870247 978012796 /nfs/dbraw/zinc/01/27/96/978012796.db2.gz FLBKLBGDURLLGI-GARJFASQSA-N 2 1 247.346 1.119 20 0 BDADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3)CC[C@H]21 ZINC001336934050 978069736 /nfs/dbraw/zinc/06/97/36/978069736.db2.gz RGYHMPQPIGNKKY-WCQYABFASA-N 2 1 217.316 1.612 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001206295667 978301258 /nfs/dbraw/zinc/30/12/58/978301258.db2.gz MVGFZMGMTXCDMI-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c[nH]1 ZINC001206318465 978518311 /nfs/dbraw/zinc/51/83/11/978518311.db2.gz PXRZDIAZDAQSKO-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)[nH]1 ZINC001206318465 978518321 /nfs/dbraw/zinc/51/83/21/978518321.db2.gz PXRZDIAZDAQSKO-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)[nH]1 ZINC001206318465 978518329 /nfs/dbraw/zinc/51/83/29/978518329.db2.gz PXRZDIAZDAQSKO-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)nc(C)[nH+]1 ZINC001338295005 978655797 /nfs/dbraw/zinc/65/57/97/978655797.db2.gz AUULWQPFCRQZLQ-FRRDWIJNSA-N 2 1 246.358 1.846 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)nc(C)[nH+]1 ZINC001338295005 978655802 /nfs/dbraw/zinc/65/58/02/978655802.db2.gz AUULWQPFCRQZLQ-FRRDWIJNSA-N 2 1 246.358 1.846 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001338491142 978695647 /nfs/dbraw/zinc/69/56/47/978695647.db2.gz FHTXRBVIIAXTDS-WCQYABFASA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(O)c3)[C@@H]2C1 ZINC001179816016 978759400 /nfs/dbraw/zinc/75/94/00/978759400.db2.gz JSVVRHCYRMYPEX-NWANDNLSSA-N 2 1 246.354 1.822 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(O)c3)[C@@H]2C1 ZINC001179816016 978759403 /nfs/dbraw/zinc/75/94/03/978759403.db2.gz JSVVRHCYRMYPEX-NWANDNLSSA-N 2 1 246.354 1.822 20 0 BDADMP C[N@@H+](CCCCNc1cc[nH+]cc1)C1CC1 ZINC001339463880 978855393 /nfs/dbraw/zinc/85/53/93/978855393.db2.gz ICPNMMPGHYEJKO-UHFFFAOYSA-N 2 1 219.332 1.790 20 0 BDADMP CCC[N@@H+](CCO)CC1CC[NH+](CC)CC1 ZINC001180565929 978911213 /nfs/dbraw/zinc/91/12/13/978911213.db2.gz KODNQJHFANXRJM-UHFFFAOYSA-N 2 1 228.380 1.423 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]cc3)[C@@H]2C1 ZINC001339998987 978953265 /nfs/dbraw/zinc/95/32/65/978953265.db2.gz LMFBIVUGTJSHAC-CYZMBNFOSA-N 2 1 217.316 1.256 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052535 978962753 /nfs/dbraw/zinc/96/27/53/978962753.db2.gz GXWNHYMCXGNJIR-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]C12CC(CC[N@@H+]3CCCC[C@@]34CC[NH2+]C4)(C1)C2 ZINC001235120477 978977773 /nfs/dbraw/zinc/97/77/73/978977773.db2.gz BUHUNTGNXKFUHY-NRXISQOPSA-N 3 1 249.402 1.476 20 0 BDADMP [NH3+]C12CC(CC[N@H+]3CCCC[C@@]34CC[NH2+]C4)(C1)C2 ZINC001235120477 978977777 /nfs/dbraw/zinc/97/77/77/978977777.db2.gz BUHUNTGNXKFUHY-NRXISQOPSA-N 3 1 249.402 1.476 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153225 978984509 /nfs/dbraw/zinc/98/45/09/978984509.db2.gz QWSXDBBBIVBRTQ-CQSZACIVSA-N 3 1 239.407 1.450 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234286 979002113 /nfs/dbraw/zinc/00/21/13/979002113.db2.gz XEQOVNRATUCTLA-DGCLKSJQSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1CNCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235358220 979030334 /nfs/dbraw/zinc/03/03/34/979030334.db2.gz NPYTUQDUBPYLDU-LBPRGKRZSA-N 2 1 237.391 1.060 20 0 BDADMP C[C@H]1CNCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235358220 979030340 /nfs/dbraw/zinc/03/03/40/979030340.db2.gz NPYTUQDUBPYLDU-LBPRGKRZSA-N 2 1 237.391 1.060 20 0 BDADMP OCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422218 979042455 /nfs/dbraw/zinc/04/24/55/979042455.db2.gz ADDZBJVROCPVJS-OLZOCXBDSA-N 2 1 226.364 1.080 20 0 BDADMP C[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CNC(C)(C)O1 ZINC001235695618 979123703 /nfs/dbraw/zinc/12/37/03/979123703.db2.gz XEHPZWFDADTZQN-TUAOUCFPSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235695618 979123707 /nfs/dbraw/zinc/12/37/07/979123707.db2.gz XEHPZWFDADTZQN-TUAOUCFPSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235695618 979123712 /nfs/dbraw/zinc/12/37/12/979123712.db2.gz XEHPZWFDADTZQN-TUAOUCFPSA-N 2 1 226.364 1.831 20 0 BDADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCCC[NH3+] ZINC001235726704 979133029 /nfs/dbraw/zinc/13/30/29/979133029.db2.gz PCNCINAPTXHJQR-NSHDSACASA-N 2 1 242.363 1.531 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001235726574 979134198 /nfs/dbraw/zinc/13/41/98/979134198.db2.gz TYHOOHHRAZWLGZ-ZDUSSCGKSA-N 2 1 233.359 2.000 20 0 BDADMP CC[N@@H+](CCCC[NH3+])Cc1cccnc1 ZINC001235724000 979136938 /nfs/dbraw/zinc/13/69/38/979136938.db2.gz GGYVXBCPMCXBEQ-UHFFFAOYSA-N 2 1 207.321 1.642 20 0 BDADMP COC(=O)CC[C@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001235934967 979203172 /nfs/dbraw/zinc/20/31/72/979203172.db2.gz QMVMQMNJEPTEHL-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1cccnc1)C2 ZINC001235977280 979240652 /nfs/dbraw/zinc/24/06/52/979240652.db2.gz FZRVTKFCGOSMNG-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1cccnc1)C2 ZINC001235977280 979240668 /nfs/dbraw/zinc/24/06/68/979240668.db2.gz FZRVTKFCGOSMNG-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980586 979253256 /nfs/dbraw/zinc/25/32/56/979253256.db2.gz QUOGYAXOUXZQST-DZGCQCFKSA-N 3 1 249.402 1.189 20 0 BDADMP N[C@@]12CC[C@H]1C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980586 979253265 /nfs/dbraw/zinc/25/32/65/979253265.db2.gz QUOGYAXOUXZQST-DZGCQCFKSA-N 2 1 249.402 1.189 20 0 BDADMP N[C@@]12CC[C@H]1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980586 979253277 /nfs/dbraw/zinc/25/32/77/979253277.db2.gz QUOGYAXOUXZQST-DZGCQCFKSA-N 2 1 249.402 1.189 20 0 BDADMP [NH3+][C@@]12CC[C@H]1CN(CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980586 979253291 /nfs/dbraw/zinc/25/32/91/979253291.db2.gz QUOGYAXOUXZQST-DZGCQCFKSA-N 2 1 249.402 1.189 20 0 BDADMP CC(C)CCC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235991457 979280865 /nfs/dbraw/zinc/28/08/65/979280865.db2.gz GAGADOWULGHESW-FUNVUKJBSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001236043972 979334583 /nfs/dbraw/zinc/33/45/83/979334583.db2.gz HHANUNQMWIRZMF-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001236045507 979335506 /nfs/dbraw/zinc/33/55/06/979335506.db2.gz VJYGMCSGOVWKJY-UHFFFAOYSA-N 2 1 246.358 1.451 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001236043975 979335929 /nfs/dbraw/zinc/33/59/29/979335929.db2.gz HHANUNQMWIRZMF-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001236043975 979335943 /nfs/dbraw/zinc/33/59/43/979335943.db2.gz HHANUNQMWIRZMF-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001236059803 979348984 /nfs/dbraw/zinc/34/89/84/979348984.db2.gz LHWBZNAYDCGTIS-RDBSUJKOSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001236059803 979348993 /nfs/dbraw/zinc/34/89/93/979348993.db2.gz LHWBZNAYDCGTIS-RDBSUJKOSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3)CCC[NH2+]1 ZINC001236100686 979388193 /nfs/dbraw/zinc/38/81/93/979388193.db2.gz MNHNEWGSFHAJPI-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCN3)CCC[NH2+]1 ZINC001236100686 979388203 /nfs/dbraw/zinc/38/82/03/979388203.db2.gz MNHNEWGSFHAJPI-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP CCCc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206476338 979410032 /nfs/dbraw/zinc/41/00/32/979410032.db2.gz UUWQHRZNWPKPNU-LSDHHAIUSA-N 2 1 248.370 1.391 20 0 BDADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236170627 979427994 /nfs/dbraw/zinc/42/79/94/979427994.db2.gz XLIDIUYKOBETJZ-OLZOCXBDSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC001236170627 979428012 /nfs/dbraw/zinc/42/80/12/979428012.db2.gz XLIDIUYKOBETJZ-OLZOCXBDSA-N 2 1 242.407 1.987 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCC[C@H]1N ZINC001236214207 979452229 /nfs/dbraw/zinc/45/22/29/979452229.db2.gz RHJBCBZXQNYHAU-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP CN(CCC1CC[NH2+]CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214207 979452235 /nfs/dbraw/zinc/45/22/35/979452235.db2.gz RHJBCBZXQNYHAU-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@H+](Cc1cccc(C[NH3+])c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213675 979452921 /nfs/dbraw/zinc/45/29/21/979452921.db2.gz CYKDTPFHEGWXQO-CABCVRRESA-N 3 1 247.386 1.847 20 0 BDADMP C[N@@H+](Cc1cccc(C[NH3+])c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213675 979452929 /nfs/dbraw/zinc/45/29/29/979452929.db2.gz CYKDTPFHEGWXQO-CABCVRRESA-N 3 1 247.386 1.847 20 0 BDADMP NCC[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227510 979458968 /nfs/dbraw/zinc/45/89/68/979458968.db2.gz FOJYMWLMGMZUES-UHFFFAOYSA-N 2 1 247.386 1.717 20 0 BDADMP [NH3+]CCN(Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227510 979458976 /nfs/dbraw/zinc/45/89/76/979458976.db2.gz FOJYMWLMGMZUES-UHFFFAOYSA-N 2 1 247.386 1.717 20 0 BDADMP [NH3+]CC[N@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227510 979458980 /nfs/dbraw/zinc/45/89/80/979458980.db2.gz FOJYMWLMGMZUES-UHFFFAOYSA-N 3 1 247.386 1.717 20 0 BDADMP [NH3+]CC[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227510 979458988 /nfs/dbraw/zinc/45/89/88/979458988.db2.gz FOJYMWLMGMZUES-UHFFFAOYSA-N 3 1 247.386 1.717 20 0 BDADMP Cc1cccc(CC[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236244483 979462236 /nfs/dbraw/zinc/46/22/36/979462236.db2.gz KWUFUUFTFIRESK-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1cccc(CC[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236244483 979462237 /nfs/dbraw/zinc/46/22/37/979462237.db2.gz KWUFUUFTFIRESK-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP CC1(C)NC[C@@H](C[N@@H+](CC2CC2)C2CC2)O1 ZINC001236254172 979471961 /nfs/dbraw/zinc/47/19/61/979471961.db2.gz VMZCYBGELDBJGL-LBPRGKRZSA-N 2 1 224.348 1.585 20 0 BDADMP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314181 979523402 /nfs/dbraw/zinc/52/34/02/979523402.db2.gz JOEQXDDKJFUGTH-WUHRBBMRSA-N 2 1 208.349 1.574 20 0 BDADMP C1=CO[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314217 979525209 /nfs/dbraw/zinc/52/52/09/979525209.db2.gz LMDOSQASGXBPSV-MJBXVCDLSA-N 2 1 236.359 1.611 20 0 BDADMP [NH3+]CCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315107 979525318 /nfs/dbraw/zinc/52/53/18/979525318.db2.gz VXGHBFZGJNLDRX-BETUJISGSA-N 3 1 225.380 1.047 20 0 BDADMP CC(C)[N@@H+](CCCC[NH3+])CCCCCO ZINC001236316627 979528330 /nfs/dbraw/zinc/52/83/30/979528330.db2.gz TTZDDRGGQMUJLP-UHFFFAOYSA-N 2 1 216.369 1.598 20 0 BDADMP C[C@H]1[C@H](N)CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001236416331 979591611 /nfs/dbraw/zinc/59/16/11/979591611.db2.gz SUTBFJIHUSZERL-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@H](N)CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001236416331 979591613 /nfs/dbraw/zinc/59/16/13/979591613.db2.gz SUTBFJIHUSZERL-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)C[N@@H+](CCCC[NH3+])[C@@H]1CCCNC1 ZINC001236473532 979604780 /nfs/dbraw/zinc/60/47/80/979604780.db2.gz KSSDNULLURZCLO-CYBMUJFWSA-N 2 1 227.396 1.435 20 0 BDADMP CC(C)CN(CCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001236473532 979604789 /nfs/dbraw/zinc/60/47/89/979604789.db2.gz KSSDNULLURZCLO-CYBMUJFWSA-N 2 1 227.396 1.435 20 0 BDADMP C[C@H]1C[NH+](CCC2CC[NH+](C)CC2)C[C@H](C)N1 ZINC001236576133 979646947 /nfs/dbraw/zinc/64/69/47/979646947.db2.gz BUDMKOWUIPKQSD-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cn[nH]c2)C1 ZINC001206542017 979659170 /nfs/dbraw/zinc/65/91/70/979659170.db2.gz PEZKBLIAMZVXAN-LBPRGKRZSA-N 2 1 222.336 1.361 20 0 BDADMP Cc1cnccc1O[C@@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001236665900 979688391 /nfs/dbraw/zinc/68/83/91/979688391.db2.gz XLVSROVMCUGPII-CYBMUJFWSA-N 3 1 249.358 1.582 20 0 BDADMP CC1(C[N@H+]2CCC[C@@](C)([NH3+])CC2)COC1 ZINC001205254860 979728346 /nfs/dbraw/zinc/72/83/46/979728346.db2.gz CQHCQOOEZCWFPC-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001205256181 979737544 /nfs/dbraw/zinc/73/75/44/979737544.db2.gz NSOKSFMDTPGQBY-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001205257917 979780851 /nfs/dbraw/zinc/78/08/51/979780851.db2.gz YOHVIFHFRAYDQZ-PNESKVBLSA-N 3 1 223.364 1.071 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCCCO)C1 ZINC001237060246 979812072 /nfs/dbraw/zinc/81/20/72/979812072.db2.gz YUNJFEQUNLITGO-LBPRGKRZSA-N 2 1 214.353 1.210 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccnnc2)CC1 ZINC001205273103 979831709 /nfs/dbraw/zinc/83/17/09/979831709.db2.gz DZYUQBNISCIBAR-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccnnc2)CC1 ZINC001205273103 979831714 /nfs/dbraw/zinc/83/17/14/979831714.db2.gz DZYUQBNISCIBAR-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP C1=C2NCC[N@H+](CC[C@@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001237220993 979852026 /nfs/dbraw/zinc/85/20/26/979852026.db2.gz URQAAOVYKSKXFA-DZGCQCFKSA-N 2 1 249.402 1.718 20 0 BDADMP COCOCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382682 979877571 /nfs/dbraw/zinc/87/75/71/979877571.db2.gz MQLUFTOJYLTRSW-QWHCGFSZSA-N 2 1 242.363 1.071 20 0 BDADMP COCOCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382682 979877574 /nfs/dbraw/zinc/87/75/74/979877574.db2.gz MQLUFTOJYLTRSW-QWHCGFSZSA-N 2 1 242.363 1.071 20 0 BDADMP [NH3+]C12CC(CC[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)(C1)C2 ZINC001237375212 979878474 /nfs/dbraw/zinc/87/84/74/979878474.db2.gz LLPQJHRUFKJMAP-ZUJMUWTESA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+]C12CC(CC[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)(C1)C2 ZINC001237375212 979878477 /nfs/dbraw/zinc/87/84/77/979878477.db2.gz LLPQJHRUFKJMAP-ZUJMUWTESA-N 3 1 249.402 1.332 20 0 BDADMP C1=CO[C@H](C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237379379 979879772 /nfs/dbraw/zinc/87/97/72/979879772.db2.gz BBTDXYFEZQFWMF-IHRRRGAJSA-N 2 1 236.359 1.753 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)nn1C ZINC001184135714 979946624 /nfs/dbraw/zinc/94/66/24/979946624.db2.gz ULPYBGNRABGHMR-CYBMUJFWSA-N 2 1 248.374 1.160 20 0 BDADMP OC[C@@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103004 980150283 /nfs/dbraw/zinc/15/02/83/980150283.db2.gz IPFWEPPHZNWWCA-GFCCVEGCSA-N 2 1 245.326 1.539 20 0 BDADMP OC[C@@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103004 980150285 /nfs/dbraw/zinc/15/02/85/980150285.db2.gz IPFWEPPHZNWWCA-GFCCVEGCSA-N 2 1 245.326 1.539 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH3+])c2)C[C@@H]1C[NH3+] ZINC001205317985 980152647 /nfs/dbraw/zinc/15/26/47/980152647.db2.gz RKMOUOKOQSJBOR-DOMZBBRYSA-N 2 1 247.386 1.562 20 0 BDADMP C[C@@H]1CCN(Cc2cccc(C[NH3+])c2)C[C@@H]1C[NH3+] ZINC001205317985 980152655 /nfs/dbraw/zinc/15/26/55/980152655.db2.gz RKMOUOKOQSJBOR-DOMZBBRYSA-N 2 1 247.386 1.562 20 0 BDADMP C[C@]1(O)CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238114297 980164158 /nfs/dbraw/zinc/16/41/58/980164158.db2.gz REKLDQGXWWRTEW-AWEZNQCLSA-N 2 1 245.326 1.681 20 0 BDADMP C[C@]1(O)CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238114297 980164168 /nfs/dbraw/zinc/16/41/68/980164168.db2.gz REKLDQGXWWRTEW-AWEZNQCLSA-N 2 1 245.326 1.681 20 0 BDADMP Nc1[nH]c2cc(C3=CCC[NH2+]CC3)ccc2[nH+]1 ZINC001238946555 980386757 /nfs/dbraw/zinc/38/67/57/980386757.db2.gz WYTUWGVRJQHDTQ-UHFFFAOYSA-N 2 1 228.299 1.912 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC001205600439 981155021 /nfs/dbraw/zinc/15/50/21/981155021.db2.gz BSOWVDRUGCBFMA-NWDGAFQWSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC001205603544 981175344 /nfs/dbraw/zinc/17/53/44/981175344.db2.gz PZVIIMAQOTVHTH-YPMHNXCESA-N 2 1 236.363 1.227 20 0 BDADMP CC(C)CNC(=O)C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC001348840939 981457085 /nfs/dbraw/zinc/45/70/85/981457085.db2.gz PCIZBAQPEKVPAB-NWDGAFQWSA-N 2 1 241.379 1.008 20 0 BDADMP O[C@@H]1CC[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)[C@@H]12 ZINC001580884628 981699964 /nfs/dbraw/zinc/69/99/64/981699964.db2.gz JOKBKNDWOHCIJG-BFHYXJOUSA-N 2 1 238.375 1.221 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205763253 982415640 /nfs/dbraw/zinc/41/56/40/982415640.db2.gz OYWNWYHYUMTBNA-SNVBAGLBSA-N 3 1 235.322 1.031 20 0 BDADMP [NH3+]CCCCCN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205763253 982415667 /nfs/dbraw/zinc/41/56/67/982415667.db2.gz OYWNWYHYUMTBNA-SNVBAGLBSA-N 2 1 235.322 1.031 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196783003 982490922 /nfs/dbraw/zinc/49/09/22/982490922.db2.gz WKNMRRNLRIUTOJ-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP COC(C)(C)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001196783003 982490925 /nfs/dbraw/zinc/49/09/25/982490925.db2.gz WKNMRRNLRIUTOJ-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP COC(C)(C)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001196783003 982490932 /nfs/dbraw/zinc/49/09/32/982490932.db2.gz WKNMRRNLRIUTOJ-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802555 982538853 /nfs/dbraw/zinc/53/88/53/982538853.db2.gz BXCWXSDPMRWXLM-PWSUYJOCSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802555 982538860 /nfs/dbraw/zinc/53/88/60/982538860.db2.gz BXCWXSDPMRWXLM-PWSUYJOCSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802555 982538866 /nfs/dbraw/zinc/53/88/66/982538866.db2.gz BXCWXSDPMRWXLM-PWSUYJOCSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802555 982538872 /nfs/dbraw/zinc/53/88/72/982538872.db2.gz BXCWXSDPMRWXLM-PWSUYJOCSA-N 2 1 235.331 1.346 20 0 BDADMP C[N@@H+](CCCCO)CCC[NH+]1CCCC1 ZINC000337268525 982555101 /nfs/dbraw/zinc/55/51/01/982555101.db2.gz KNCMTLATGJXJFX-UHFFFAOYSA-N 2 1 214.353 1.177 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC001352788915 982581606 /nfs/dbraw/zinc/58/16/06/982581606.db2.gz RLCZNEVTNURIFV-RVMXOQNASA-N 2 1 224.348 1.225 20 0 BDADMP Cc1cnc(C2=CCC[N@H+](C)C2)nc1C1C[NH2+]C1 ZINC001241568594 982817735 /nfs/dbraw/zinc/81/77/35/982817735.db2.gz JJUJPESTMFNXBR-UHFFFAOYSA-N 2 1 244.342 1.191 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000716954909 983097110 /nfs/dbraw/zinc/09/71/10/983097110.db2.gz NOPLWICKAJZYGY-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP CC[C@H](C)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201501739 983271323 /nfs/dbraw/zinc/27/13/23/983271323.db2.gz AOTSPEFTFSOKSL-XQQFMLRXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201501739 983271334 /nfs/dbraw/zinc/27/13/34/983271334.db2.gz AOTSPEFTFSOKSL-XQQFMLRXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201501739 983271342 /nfs/dbraw/zinc/27/13/42/983271342.db2.gz AOTSPEFTFSOKSL-XQQFMLRXSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201614913 983376327 /nfs/dbraw/zinc/37/63/27/983376327.db2.gz ORLJTPLSKXRSPQ-OLZOCXBDSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201614913 983376333 /nfs/dbraw/zinc/37/63/33/983376333.db2.gz ORLJTPLSKXRSPQ-OLZOCXBDSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201614913 983376342 /nfs/dbraw/zinc/37/63/42/983376342.db2.gz ORLJTPLSKXRSPQ-OLZOCXBDSA-N 2 1 210.365 1.916 20 0 BDADMP CSCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001201700572 983412385 /nfs/dbraw/zinc/41/23/85/983412385.db2.gz RGZRGUFRHUQMOK-UHFFFAOYSA-N 2 1 228.405 1.910 20 0 BDADMP C[C@@H](CNc1nccn2c[nH+]cc12)C[NH+](C)C ZINC001355283954 983461085 /nfs/dbraw/zinc/46/10/85/983461085.db2.gz NQQUYOZMMNGCAQ-JTQLQIEISA-N 2 1 233.319 1.339 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C1CC1 ZINC001356082648 983572527 /nfs/dbraw/zinc/57/25/27/983572527.db2.gz ARNHENCUMXXDBM-WCQYABFASA-N 2 1 248.374 1.825 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001202530996 983876242 /nfs/dbraw/zinc/87/62/42/983876242.db2.gz YGJHOUIBSANXSD-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001202530996 983876249 /nfs/dbraw/zinc/87/62/49/983876249.db2.gz YGJHOUIBSANXSD-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001202530996 983876252 /nfs/dbraw/zinc/87/62/52/983876252.db2.gz YGJHOUIBSANXSD-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP CC[C@](C)(C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)OC ZINC001576950050 984183988 /nfs/dbraw/zinc/18/39/88/984183988.db2.gz YYVIFOYNWRSFNW-YNEHKIRRSA-N 2 1 226.364 1.676 20 0 BDADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CC[NH2+]1 ZINC001577400949 984194932 /nfs/dbraw/zinc/19/49/32/984194932.db2.gz PYCIURMXSSHCOU-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+]1CCc2cc(C)cc(C)c2C1 ZINC001578654252 984219404 /nfs/dbraw/zinc/21/94/04/984219404.db2.gz LJMRXYZQOMIHFL-AWEZNQCLSA-N 2 1 248.370 1.242 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1CCc2cc(C)cc(C)c2C1 ZINC001578654252 984219407 /nfs/dbraw/zinc/21/94/07/984219407.db2.gz LJMRXYZQOMIHFL-AWEZNQCLSA-N 2 1 248.370 1.242 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC001578654315 984222814 /nfs/dbraw/zinc/22/28/14/984222814.db2.gz MMYRICLHUXSLIB-MNOVXSKESA-N 2 1 246.420 1.030 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1CCSC[C@H]1C(C)(C)C ZINC001578654315 984222821 /nfs/dbraw/zinc/22/28/21/984222821.db2.gz MMYRICLHUXSLIB-MNOVXSKESA-N 2 1 246.420 1.030 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](CC1CCC1)CC2 ZINC001202763296 984298256 /nfs/dbraw/zinc/29/82/56/984298256.db2.gz ZPJPXGMTCGROKG-UHFFFAOYSA-N 2 1 205.305 1.541 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](CC1CCC1)CC2 ZINC001202763296 984298263 /nfs/dbraw/zinc/29/82/63/984298263.db2.gz ZPJPXGMTCGROKG-UHFFFAOYSA-N 2 1 205.305 1.541 20 0 BDADMP CCC[NH+]1CCC2(C[NH+](CCN(C)C)C2)CC1 ZINC001275107596 984491006 /nfs/dbraw/zinc/49/10/06/984491006.db2.gz CSVOKLJOXLSLCP-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CC[N@@H+](C[C@@H]1COC(C)(C)O1)C1CC[NH2+]CC1 ZINC001577711035 984654991 /nfs/dbraw/zinc/65/49/91/984654991.db2.gz NNTIQRZWNBADNT-GFCCVEGCSA-N 2 1 242.363 1.212 20 0 BDADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC001275841902 984693443 /nfs/dbraw/zinc/69/34/43/984693443.db2.gz DEXILAZWQYXLHO-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP C[N@H+]1CCCC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC001275841902 984693487 /nfs/dbraw/zinc/69/34/87/984693487.db2.gz DEXILAZWQYXLHO-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc[nH]c1)C2 ZINC001276103235 984814809 /nfs/dbraw/zinc/81/48/09/984814809.db2.gz GTKASMQPDCYARK-AWEZNQCLSA-N 2 1 233.359 1.932 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc[nH]c1)C2 ZINC001276103235 984814810 /nfs/dbraw/zinc/81/48/10/984814810.db2.gz GTKASMQPDCYARK-AWEZNQCLSA-N 2 1 233.359 1.932 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc[nH]c1)C2 ZINC001276103235 984814812 /nfs/dbraw/zinc/81/48/12/984814812.db2.gz GTKASMQPDCYARK-AWEZNQCLSA-N 2 1 233.359 1.932 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc[nH]c1)C2 ZINC001276103235 984814814 /nfs/dbraw/zinc/81/48/14/984814814.db2.gz GTKASMQPDCYARK-AWEZNQCLSA-N 2 1 233.359 1.932 20 0 BDADMP CCOC(=O)CC[N@@H+](CCC[NH2+]C)CC1CC1 ZINC001577948436 984829710 /nfs/dbraw/zinc/82/97/10/984829710.db2.gz BTOUOICRDJRBNC-UHFFFAOYSA-N 2 1 242.363 1.261 20 0 BDADMP CCOC1CC([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001578087955 984844575 /nfs/dbraw/zinc/84/45/75/984844575.db2.gz WTWIEHXZTHXPEZ-KBHBFKLGSA-N 2 1 240.391 1.874 20 0 BDADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001257034654 984847723 /nfs/dbraw/zinc/84/77/23/984847723.db2.gz XSBCYLKHYPCFGZ-UWVGGRQHSA-N 2 1 228.336 1.045 20 0 BDADMP CCOCCO[C@H]1CC[N@@H+](CC(C)(C)C[NH3+])C1 ZINC001578119975 984851531 /nfs/dbraw/zinc/85/15/31/984851531.db2.gz OJDPMZSFCMFIMT-LBPRGKRZSA-N 2 1 244.379 1.099 20 0 BDADMP CO[C@@H]1CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257214606 984853627 /nfs/dbraw/zinc/85/36/27/984853627.db2.gz HRFHIOMSOSMXAU-CYBMUJFWSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257214606 984853632 /nfs/dbraw/zinc/85/36/32/984853632.db2.gz HRFHIOMSOSMXAU-CYBMUJFWSA-N 2 1 226.364 1.580 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001578161006 984864351 /nfs/dbraw/zinc/86/43/51/984864351.db2.gz IAADPVGRJMHMGV-FIQHERPVSA-N 2 1 212.337 1.284 20 0 BDADMP CCc1cccc(C[N@H+](C)C[C@H](O)C[NH2+]C)c1 ZINC001578266412 984910834 /nfs/dbraw/zinc/91/08/34/984910834.db2.gz IQDRQALSDXTROC-CQSZACIVSA-N 2 1 236.359 1.261 20 0 BDADMP CCc1cccc(C[N@@H+](C)C[C@H](O)C[NH2+]C)c1 ZINC001578266412 984910858 /nfs/dbraw/zinc/91/08/58/984910858.db2.gz IQDRQALSDXTROC-CQSZACIVSA-N 2 1 236.359 1.261 20 0 BDADMP CCc1cccc(C[N@H+](C)C[C@@H](O)C[NH2+]C)c1 ZINC001578266411 984913410 /nfs/dbraw/zinc/91/34/10/984913410.db2.gz IQDRQALSDXTROC-AWEZNQCLSA-N 2 1 236.359 1.261 20 0 BDADMP CCc1cccc(C[N@@H+](C)C[C@@H](O)C[NH2+]C)c1 ZINC001578266411 984913433 /nfs/dbraw/zinc/91/34/33/984913433.db2.gz IQDRQALSDXTROC-AWEZNQCLSA-N 2 1 236.359 1.261 20 0 BDADMP CCc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1O ZINC001578277188 984926471 /nfs/dbraw/zinc/92/64/71/984926471.db2.gz PBSPVBKBVKGMIQ-KGLIPLIRSA-N 2 1 234.343 1.061 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CC1CCC1)C2 ZINC001202775315 984962338 /nfs/dbraw/zinc/96/23/38/984962338.db2.gz BOKSXIDNCDMNNV-CHWSQXEVSA-N 2 1 208.349 1.670 20 0 BDADMP C[N@@H+](CC1(O)CCCCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578445629 985077393 /nfs/dbraw/zinc/07/73/93/985077393.db2.gz RRYRTZXCRFUFOR-ITGUQSILSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+](CCC(=O)OC(C)(C)C)[C@@H](C[NH3+])C1CC1 ZINC001578461395 985092948 /nfs/dbraw/zinc/09/29/48/985092948.db2.gz LZEKKPHWDWNSHN-NSHDSACASA-N 2 1 242.363 1.387 20 0 BDADMP C[N@@H+](CCC(=O)OC(C)(C)C)[C@@H](C[NH3+])C1CC1 ZINC001578461395 985092960 /nfs/dbraw/zinc/09/29/60/985092960.db2.gz LZEKKPHWDWNSHN-NSHDSACASA-N 2 1 242.363 1.387 20 0 BDADMP C[N@H+](Cc1cc[nH]c(=O)c1)CC1CC[NH2+]CC1 ZINC001578486085 985117692 /nfs/dbraw/zinc/11/76/92/985117692.db2.gz TYAHKJSMXPBIKG-UHFFFAOYSA-N 2 1 235.331 1.219 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[NH2+]CC2)CC1 ZINC001578524656 985151662 /nfs/dbraw/zinc/15/16/62/985151662.db2.gz GZZRKKBDUXRULN-GFCCVEGCSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578528644 985154655 /nfs/dbraw/zinc/15/46/55/985154655.db2.gz IYLVNWJXJSLCAD-ZIHBUVQPSA-N 3 1 237.391 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H](C[NH3+])C(C)(C)C ZINC001578530307 985159623 /nfs/dbraw/zinc/15/96/23/985159623.db2.gz FPNPDIWBGJATTC-GHMZBOCLSA-N 2 1 213.369 1.044 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001578622345 985237402 /nfs/dbraw/zinc/23/74/02/985237402.db2.gz SCGWUHOIHVAJQI-YPMHNXCESA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC001578638776 985248666 /nfs/dbraw/zinc/24/86/66/985248666.db2.gz VKIRIYXBGKTSKG-QWRGUYRKSA-N 2 1 237.347 1.219 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000687204873 985259338 /nfs/dbraw/zinc/25/93/38/985259338.db2.gz LXWSWQIBZMTQIR-DGCLKSJQSA-N 2 1 226.364 1.628 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC1(O)CCCCCC1 ZINC001578687327 985286674 /nfs/dbraw/zinc/28/66/74/985286674.db2.gz IJOJCYFNOCPHDG-UHFFFAOYSA-N 2 1 228.380 1.613 20 0 BDADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001578766401 985333198 /nfs/dbraw/zinc/33/31/98/985333198.db2.gz NVPKIZKSXYDNTB-SNVBAGLBSA-N 2 1 240.347 1.060 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001578896055 985455542 /nfs/dbraw/zinc/45/55/42/985455542.db2.gz IHJUORSLTDXVGI-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP CO[C@](C)(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC001578897979 985469186 /nfs/dbraw/zinc/46/91/86/985469186.db2.gz PEXJDQHEWORIRE-CYZMBNFOSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@](C)(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC001578897979 985469215 /nfs/dbraw/zinc/46/92/15/985469215.db2.gz PEXJDQHEWORIRE-CYZMBNFOSA-N 2 1 224.348 1.095 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000688025352 985504211 /nfs/dbraw/zinc/50/42/11/985504211.db2.gz ZWROZBWFVYLBBQ-CMPLNLGQSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001459524351 985518391 /nfs/dbraw/zinc/51/83/91/985518391.db2.gz CNLGMUNGMLZULD-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578938486 985552370 /nfs/dbraw/zinc/55/23/70/985552370.db2.gz UBUYTTRFZILUEK-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCc2cn[nH]c2)CC[N@@H+]1C ZINC001459617373 985562485 /nfs/dbraw/zinc/56/24/85/985562485.db2.gz XBNNZRHVKKYSLG-WCQYABFASA-N 2 1 236.363 1.367 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCc2cn[nH]c2)CC[N@H+]1C ZINC001459617373 985562490 /nfs/dbraw/zinc/56/24/90/985562490.db2.gz XBNNZRHVKKYSLG-WCQYABFASA-N 2 1 236.363 1.367 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCc2cn[nH]c2)CC[NH+]1C ZINC001459617373 985562513 /nfs/dbraw/zinc/56/25/13/985562513.db2.gz XBNNZRHVKKYSLG-WCQYABFASA-N 2 1 236.363 1.367 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCc2cn[nH]c2)CC[NH+]1C ZINC001459617373 985562530 /nfs/dbraw/zinc/56/25/30/985562530.db2.gz XBNNZRHVKKYSLG-WCQYABFASA-N 2 1 236.363 1.367 20 0 BDADMP CC(C)[N@H+](CC[NH3+])[C@H](C)Cc1ccco1 ZINC001258176100 985562830 /nfs/dbraw/zinc/56/28/30/985562830.db2.gz IJUVFCWBHTXNCT-LLVKDONJSA-N 2 1 210.321 1.880 20 0 BDADMP CC(C)[N@@H+](CC[NH3+])[C@H](C)Cc1ccco1 ZINC001258176100 985562844 /nfs/dbraw/zinc/56/28/44/985562844.db2.gz IJUVFCWBHTXNCT-LLVKDONJSA-N 2 1 210.321 1.880 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC001579114296 985752906 /nfs/dbraw/zinc/75/29/06/985752906.db2.gz KUJQYCCKEZYKNT-DDHJBXDOSA-N 2 1 212.337 1.142 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000689031140 985788815 /nfs/dbraw/zinc/78/88/15/985788815.db2.gz XUYZEQSPWXVPQF-VHSXEESVSA-N 2 1 234.290 1.081 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@]2(C[NH3+])CCCC[C@H]2C)C1 ZINC001579129072 985803931 /nfs/dbraw/zinc/80/39/31/985803931.db2.gz FDOFNZXUJQCZSO-YIYPIFLZSA-N 2 1 240.391 1.909 20 0 BDADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC001579216069 985818577 /nfs/dbraw/zinc/81/85/77/985818577.db2.gz BCFOAPHOOYMMDY-MNOVXSKESA-N 2 1 235.331 1.035 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001258355904 985837045 /nfs/dbraw/zinc/83/70/45/985837045.db2.gz LRXDFKYNJPPJNG-VXGBXAGGSA-N 2 1 242.363 1.402 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[NH2+]C1)c1cccs1 ZINC001579414997 985885988 /nfs/dbraw/zinc/88/59/88/985885988.db2.gz VBOYATNIWLNUPK-KOLCDFICSA-N 2 1 226.345 1.123 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)C[C@H]1CC[NH3+] ZINC001579440558 985924112 /nfs/dbraw/zinc/92/41/12/985924112.db2.gz MQEPCKMRPHVXEG-ZYHUDNBSSA-N 2 1 235.331 1.204 20 0 BDADMP C[C@@H]1C[N@@H+](CCC(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC001579440293 985930193 /nfs/dbraw/zinc/93/01/93/985930193.db2.gz UHIJIOFNWZAWEM-GHMZBOCLSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2C[NH2+]C2)[C@H](C)CCO1 ZINC001579440079 985930423 /nfs/dbraw/zinc/93/04/23/985930423.db2.gz NTDCSUHKOBHJKG-GHMZBOCLSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@@H]1CCCC[C@H]1O)C2 ZINC001579473581 985981146 /nfs/dbraw/zinc/98/11/46/985981146.db2.gz GJSVDTFSAZQBTP-DGAVXFQQSA-N 2 1 238.375 1.079 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC001579543867 986076682 /nfs/dbraw/zinc/07/66/82/986076682.db2.gz MDWHOWRAEGZWCD-YPMHNXCESA-N 2 1 249.358 1.716 20 0 BDADMP Cc1cc(C[NH2+]C2(C[NH3+])CCOCC2)cc(C)n1 ZINC001579601485 986126578 /nfs/dbraw/zinc/12/65/78/986126578.db2.gz SQRJDFYSDMIISM-UHFFFAOYSA-N 2 1 249.358 1.296 20 0 BDADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]2)cc1 ZINC001579684935 986171047 /nfs/dbraw/zinc/17/10/47/986171047.db2.gz ZDEAPVVXPLMKQB-OCCSQVGLSA-N 2 1 218.344 1.878 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC001461832164 986191572 /nfs/dbraw/zinc/19/15/72/986191572.db2.gz UBEXWJHICKHHPT-MELADBBJSA-N 2 1 231.343 1.511 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC001461832162 986198553 /nfs/dbraw/zinc/19/85/53/986198553.db2.gz UBEXWJHICKHHPT-BFHYXJOUSA-N 2 1 231.343 1.511 20 0 BDADMP Cc1ccc2ncc(C[NH2+][C@H]3C[C@@H]([NH3+])C3)n2c1 ZINC001579742871 986208725 /nfs/dbraw/zinc/20/87/25/986208725.db2.gz YKBAXDVFZWAAHS-PHIMTYICSA-N 2 1 230.315 1.222 20 0 BDADMP Cc1conc1C[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579830011 986256839 /nfs/dbraw/zinc/25/68/39/986256839.db2.gz MCIHNXRACKAPLB-TZMCWYRMSA-N 2 1 249.358 1.934 20 0 BDADMP Cc1conc1C[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579830011 986256854 /nfs/dbraw/zinc/25/68/54/986256854.db2.gz MCIHNXRACKAPLB-TZMCWYRMSA-N 2 1 249.358 1.934 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC001462002673 986261330 /nfs/dbraw/zinc/26/13/30/986261330.db2.gz PFTBOIVMLCPZHY-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1[nH]ncc1C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001579839781 986264697 /nfs/dbraw/zinc/26/46/97/986264697.db2.gz RFLARQMMEFPCNB-LLVKDONJSA-N 2 1 222.336 1.197 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC001579893178 986309179 /nfs/dbraw/zinc/30/91/79/986309179.db2.gz QWPQWQAHGKFVDG-ZIAGYGMSSA-N 2 1 248.374 1.350 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000689188491 986385767 /nfs/dbraw/zinc/38/57/67/986385767.db2.gz WHDXNPFXIPCKJQ-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000689188491 986385781 /nfs/dbraw/zinc/38/57/81/986385781.db2.gz WHDXNPFXIPCKJQ-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C1CC1 ZINC001462619226 986455402 /nfs/dbraw/zinc/45/54/02/986455402.db2.gz QLHOVWFSTOCEMX-MCIONIFRSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)C1CC1 ZINC001462619226 986455417 /nfs/dbraw/zinc/45/54/17/986455417.db2.gz QLHOVWFSTOCEMX-MCIONIFRSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)C1CC1 ZINC001462619226 986455427 /nfs/dbraw/zinc/45/54/27/986455427.db2.gz QLHOVWFSTOCEMX-MCIONIFRSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001462662566 986488046 /nfs/dbraw/zinc/48/80/46/986488046.db2.gz CXPNCRDIXHMUSA-CKIKVBCHSA-N 2 1 226.364 1.340 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001462663611 986492261 /nfs/dbraw/zinc/49/22/61/986492261.db2.gz FJLVMZACWACTNW-IJLUTSLNSA-N 2 1 240.416 1.812 20 0 BDADMP [NH3+][C@@H](C[NH2+]CC1(CCO)CC1)CC(F)(F)F ZINC001580131409 986591026 /nfs/dbraw/zinc/59/10/26/986591026.db2.gz DFXCNSWALVJHPU-MRVPVSSYSA-N 2 1 240.269 1.018 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C[C@]1(C)O ZINC001254516439 986657328 /nfs/dbraw/zinc/65/73/28/986657328.db2.gz MJTKZWHPKMWMOB-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@]1(C)O ZINC001254516439 986657339 /nfs/dbraw/zinc/65/73/39/986657339.db2.gz MJTKZWHPKMWMOB-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@]1(C)O ZINC001254516439 986657350 /nfs/dbraw/zinc/65/73/50/986657350.db2.gz MJTKZWHPKMWMOB-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@H](F)C2)CC1 ZINC001254515858 986662897 /nfs/dbraw/zinc/66/28/97/986662897.db2.gz FJRFOTXMKSEJHV-GHMZBOCLSA-N 2 1 200.301 1.515 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H](F)C2)CC1 ZINC001254515858 986662908 /nfs/dbraw/zinc/66/29/08/986662908.db2.gz FJRFOTXMKSEJHV-GHMZBOCLSA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H](F)C2)CC1 ZINC001254515858 986662917 /nfs/dbraw/zinc/66/29/17/986662917.db2.gz FJRFOTXMKSEJHV-GHMZBOCLSA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H](F)C2)CC1 ZINC001254515858 986662925 /nfs/dbraw/zinc/66/29/25/986662925.db2.gz FJRFOTXMKSEJHV-GHMZBOCLSA-N 2 1 200.301 1.515 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCC[C@H]1CCO1 ZINC001580254676 986710910 /nfs/dbraw/zinc/71/09/10/986710910.db2.gz YWPOONUTLGVJSO-FRRDWIJNSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCC[C@H]1CCO1 ZINC001580254676 986710915 /nfs/dbraw/zinc/71/09/15/986710915.db2.gz YWPOONUTLGVJSO-FRRDWIJNSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]CC[C@H](O)C[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001580284965 986730809 /nfs/dbraw/zinc/73/08/09/986730809.db2.gz YXOGHPIUMNVHFJ-IHRRRGAJSA-N 2 1 238.375 1.207 20 0 BDADMP [NH3+]CC[C@@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC001580284666 986733522 /nfs/dbraw/zinc/73/35/22/986733522.db2.gz NNQRGJMPYKBTPD-OAHLLOKOSA-N 2 1 248.370 1.403 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@](F)(CO)C1 ZINC001580293186 986735769 /nfs/dbraw/zinc/73/57/69/986735769.db2.gz WEMMDDVTSZYACI-LBPRGKRZSA-N 2 1 232.343 1.302 20 0 BDADMP [NH3+]CCc1ccc(C[NH2+]Cc2cc[nH]n2)cc1 ZINC001580314094 986740308 /nfs/dbraw/zinc/74/03/08/986740308.db2.gz BHHOUOAZPBRXPQ-UHFFFAOYSA-N 2 1 230.315 1.201 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]Cc2cnccn2)cc1 ZINC001580339430 986783548 /nfs/dbraw/zinc/78/35/48/986783548.db2.gz LWCSAYOOAHQDNZ-UHFFFAOYSA-N 2 1 228.299 1.225 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCOCC2)C1 ZINC001255030777 986784298 /nfs/dbraw/zinc/78/42/98/986784298.db2.gz MQZHJKIUMOVLSE-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC001580422846 986839410 /nfs/dbraw/zinc/83/94/10/986839410.db2.gz FCXCVPHRWFCHKO-WAAGHKOSSA-N 2 1 211.696 1.314 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001255547891 987004140 /nfs/dbraw/zinc/00/41/40/987004140.db2.gz XKRRGUUKHAWJHM-XQQFMLRXSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001255547891 987004155 /nfs/dbraw/zinc/00/41/55/987004155.db2.gz XKRRGUUKHAWJHM-XQQFMLRXSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001255547891 987004167 /nfs/dbraw/zinc/00/41/67/987004167.db2.gz XKRRGUUKHAWJHM-XQQFMLRXSA-N 2 1 238.375 1.437 20 0 BDADMP CC(C)[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662753 987047255 /nfs/dbraw/zinc/04/72/55/987047255.db2.gz SOSOXBWQRFRLGA-GSPSYOTPSA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662753 987047267 /nfs/dbraw/zinc/04/72/67/987047267.db2.gz SOSOXBWQRFRLGA-GSPSYOTPSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)[NH2+]C1 ZINC001245989552 987268983 /nfs/dbraw/zinc/26/89/83/987268983.db2.gz GZAXOMGWLMVZCS-IJLUTSLNSA-N 2 1 228.380 1.371 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)C[NH2+]1 ZINC001245997751 987281389 /nfs/dbraw/zinc/28/13/89/987281389.db2.gz XKLDJSIDMSICDZ-MJBXVCDLSA-N 2 1 242.407 1.905 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001246017024 987304200 /nfs/dbraw/zinc/30/42/00/987304200.db2.gz PRHQDNGGTXOQGI-ZIAGYGMSSA-N 2 1 234.343 1.533 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020755 987304916 /nfs/dbraw/zinc/30/49/16/987304916.db2.gz LSMZBBRCHVRZRU-VXGBXAGGSA-N 2 1 232.343 1.300 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246020661 987308621 /nfs/dbraw/zinc/30/86/21/987308621.db2.gz JKUYJSBNAGYBCW-UPJWGTAASA-N 2 1 228.380 1.597 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246020661 987308625 /nfs/dbraw/zinc/30/86/25/987308625.db2.gz JKUYJSBNAGYBCW-UPJWGTAASA-N 2 1 228.380 1.597 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246020828 987309126 /nfs/dbraw/zinc/30/91/26/987309126.db2.gz KCIVGVPLKBAZFZ-IHRRRGAJSA-N 2 1 242.407 1.987 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246020828 987309133 /nfs/dbraw/zinc/30/91/33/987309133.db2.gz KCIVGVPLKBAZFZ-IHRRRGAJSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246022015 987313065 /nfs/dbraw/zinc/31/30/65/987313065.db2.gz ODGXZYLWNGPKAG-STQMWFEESA-N 2 1 228.380 1.454 20 0 BDADMP CCCC[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246027367 987324848 /nfs/dbraw/zinc/32/48/48/987324848.db2.gz XYYHYJRRSXOHDL-UTUOFQBUSA-N 2 1 214.353 1.207 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246027367 987324852 /nfs/dbraw/zinc/32/48/52/987324852.db2.gz XYYHYJRRSXOHDL-UTUOFQBUSA-N 2 1 214.353 1.207 20 0 BDADMP CCCCC[C@@H](O)C[NH+]1CC(C)(C[NH3+])C1 ZINC001246033845 987335026 /nfs/dbraw/zinc/33/50/26/987335026.db2.gz LTNDIRCFZAOYBT-LLVKDONJSA-N 2 1 214.353 1.208 20 0 BDADMP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246033262 987337135 /nfs/dbraw/zinc/33/71/35/987337135.db2.gz UPSMPIOLVHCBBR-GMTAPVOTSA-N 2 1 232.343 1.155 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246033262 987337143 /nfs/dbraw/zinc/33/71/43/987337143.db2.gz UPSMPIOLVHCBBR-GMTAPVOTSA-N 2 1 232.343 1.155 20 0 BDADMP C[C@](O)(C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001246044315 987339506 /nfs/dbraw/zinc/33/95/06/987339506.db2.gz GQYKDSNDGAHQTK-KKUMJFAQSA-N 2 1 246.354 1.317 20 0 BDADMP C[C@](O)(C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001246044315 987339510 /nfs/dbraw/zinc/33/95/10/987339510.db2.gz GQYKDSNDGAHQTK-KKUMJFAQSA-N 2 1 246.354 1.317 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246045889 987342666 /nfs/dbraw/zinc/34/26/66/987342666.db2.gz LNULWJKFQLYCLQ-AGIUHOORSA-N 2 1 226.364 1.351 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246045889 987342671 /nfs/dbraw/zinc/34/26/71/987342671.db2.gz LNULWJKFQLYCLQ-AGIUHOORSA-N 2 1 226.364 1.351 20 0 BDADMP C[C@H](CC[NH2+]Cc1cccc(C(N)=O)c1)[NH+](C)C ZINC000697873095 987367148 /nfs/dbraw/zinc/36/71/48/987367148.db2.gz SVFUSYXOIAHXOG-LLVKDONJSA-N 2 1 249.358 1.215 20 0 BDADMP Cc1ncc(C[NH2+]CC[C@@H](C)[NH+](C)C)s1 ZINC000697888094 987367715 /nfs/dbraw/zinc/36/77/15/987367715.db2.gz HRNCYSGGXGQEHE-SECBINFHSA-N 2 1 227.377 1.881 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246091882 987397272 /nfs/dbraw/zinc/39/72/72/987397272.db2.gz HSURGKWRUQLCOY-AGIUHOORSA-N 3 1 225.380 1.106 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246096238 987408535 /nfs/dbraw/zinc/40/85/35/987408535.db2.gz DQRGUPDNTJZSMX-CHWSQXEVSA-N 3 1 239.407 1.306 20 0 BDADMP F[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246098705 987411816 /nfs/dbraw/zinc/41/18/16/987411816.db2.gz RLZCSHWRLQQORR-HBNTYKKESA-N 2 1 200.301 1.466 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246100405 987417402 /nfs/dbraw/zinc/41/74/02/987417402.db2.gz CUHQYCHLWZIOOR-YRGRVCCFSA-N 2 1 233.359 1.600 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCC[N@H+](C)C1 ZINC001246113931 987449750 /nfs/dbraw/zinc/44/97/50/987449750.db2.gz UVQGJHKLNGRQRS-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCC[N@@H+](C)C1 ZINC001246113931 987449755 /nfs/dbraw/zinc/44/97/55/987449755.db2.gz UVQGJHKLNGRQRS-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+]CCC[NH2+]C)CC[NH2+]1 ZINC001246114933 987455226 /nfs/dbraw/zinc/45/52/26/987455226.db2.gz QKNXDBKLCWKAQC-CHWSQXEVSA-N 3 1 227.396 1.496 20 0 BDADMP C1C[C@H]2CC([NH2+][C@H]3CCC[NH2+]C3)C[C@@H]1O2 ZINC001246122046 987467209 /nfs/dbraw/zinc/46/72/09/987467209.db2.gz DZRJJKDGPSGXLK-YEJSDXFRSA-N 2 1 210.321 1.038 20 0 BDADMP C1CC2(C[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001246125676 987472801 /nfs/dbraw/zinc/47/28/01/987472801.db2.gz FNZKQUBYDRFDOL-CHWSQXEVSA-N 3 1 237.391 1.250 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246137611 987492298 /nfs/dbraw/zinc/49/22/98/987492298.db2.gz JMKMVQNOKFLQLJ-AGIUHOORSA-N 3 1 237.391 1.249 20 0 BDADMP CCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135968 987494099 /nfs/dbraw/zinc/49/40/99/987494099.db2.gz TZZUTDBRKIKNPK-REWJHTLYSA-N 2 1 240.391 1.922 20 0 BDADMP CCC1CCC([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)CC1 ZINC001246135382 987494961 /nfs/dbraw/zinc/49/49/61/987494961.db2.gz SANCRTGFBAZJPV-YTPFDHIKSA-N 2 1 238.375 1.532 20 0 BDADMP CCOC(CCC[NH2+][C@H]1CCC[NH2+]C1)OCC ZINC001246163834 987529678 /nfs/dbraw/zinc/52/96/78/987529678.db2.gz KRVDBXGROJXMPJ-LBPRGKRZSA-N 2 1 244.379 1.507 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246176269 987545008 /nfs/dbraw/zinc/54/50/08/987545008.db2.gz OBNXBXRUVVZXIT-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246183556 987555406 /nfs/dbraw/zinc/55/54/06/987555406.db2.gz FUTLCTXNSRXLOW-KBPBESRZSA-N 2 1 241.423 1.839 20 0 BDADMP C([NH2+][C@H]1CCCCNC1)[C@H]1CC12CC[NH2+]CC2 ZINC001246185672 987562395 /nfs/dbraw/zinc/56/23/95/987562395.db2.gz VHWWHQJLTNJYIE-OLZOCXBDSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC[NH2+]C1)C2 ZINC001246199580 987593615 /nfs/dbraw/zinc/59/36/15/987593615.db2.gz XIIYOPHLNIKOQY-YIYPIFLZSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001246199580 987593623 /nfs/dbraw/zinc/59/36/23/987593623.db2.gz XIIYOPHLNIKOQY-YIYPIFLZSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001246199580 987593631 /nfs/dbraw/zinc/59/36/31/987593631.db2.gz XIIYOPHLNIKOQY-YIYPIFLZSA-N 3 1 237.391 1.201 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246200662 987595710 /nfs/dbraw/zinc/59/57/10/987595710.db2.gz ALCZLKYYTFLZCM-MGPQQGTHSA-N 3 1 241.423 1.966 20 0 BDADMP [NH3+][C@H]1CC[C@@H](CC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246201294 987598856 /nfs/dbraw/zinc/59/88/56/987598856.db2.gz GEQRHJMDXIGSBY-FRRDWIJNSA-N 3 1 225.380 1.236 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246233797 987631639 /nfs/dbraw/zinc/63/16/39/987631639.db2.gz AWTSERPHDZGDCV-ODXJTPSBSA-N 3 1 239.407 1.765 20 0 BDADMP CCCC[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246236483 987634687 /nfs/dbraw/zinc/63/46/87/987634687.db2.gz LFLJSVXCGUNDHM-IGQOVBAYSA-N 3 1 239.407 1.767 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246240289 987639704 /nfs/dbraw/zinc/63/97/04/987639704.db2.gz UGHBXGAERSXSMP-FDYHWXHSSA-N 2 1 226.364 1.674 20 0 BDADMP CCOC(=O)CCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246243698 987645006 /nfs/dbraw/zinc/64/50/06/987645006.db2.gz LBQMYLGBAYECEP-GFCCVEGCSA-N 2 1 242.363 1.452 20 0 BDADMP O=C1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246265647 987660354 /nfs/dbraw/zinc/66/03/54/987660354.db2.gz PCLBKVHUCPRUBQ-MBYGNEARSA-N 2 1 222.332 1.371 20 0 BDADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246267482 987663597 /nfs/dbraw/zinc/66/35/97/987663597.db2.gz ICGJICFAHTYCLG-TUAOUCFPSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C[NH2+]1 ZINC001246283660 987677920 /nfs/dbraw/zinc/67/79/20/987677920.db2.gz XDRHVCLLRXTCHW-MRVWCRGKSA-N 2 1 240.391 1.658 20 0 BDADMP CCc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001474303106 987682677 /nfs/dbraw/zinc/68/26/77/987682677.db2.gz QHAPUVSGLVAFPX-VHRBIJSZSA-N 2 1 249.358 1.667 20 0 BDADMP CCc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001474303106 987682681 /nfs/dbraw/zinc/68/26/81/987682681.db2.gz QHAPUVSGLVAFPX-VHRBIJSZSA-N 2 1 249.358 1.667 20 0 BDADMP CC1(C)CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246301243 987698084 /nfs/dbraw/zinc/69/80/84/987698084.db2.gz WZXLYIYXBMKHJB-JQWIXIFHSA-N 2 1 226.364 1.125 20 0 BDADMP [NH3+]CCCCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246308616 987706659 /nfs/dbraw/zinc/70/66/59/987706659.db2.gz RMLKIACNOKOPJH-GFCCVEGCSA-N 3 1 213.369 1.237 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246329795 987733541 /nfs/dbraw/zinc/73/35/41/987733541.db2.gz XETDAVRYDCPBOG-OLZOCXBDSA-N 3 1 239.407 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246331789 987737289 /nfs/dbraw/zinc/73/72/89/987737289.db2.gz JNTFFYCTQQXZDO-DGTMBMJNSA-N 3 1 237.391 1.390 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(C(=O)OC)C1 ZINC001474493608 987738467 /nfs/dbraw/zinc/73/84/67/987738467.db2.gz VCCFMZGJFFQYRX-VOMCLLRMSA-N 2 1 242.363 1.258 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246360258 987768735 /nfs/dbraw/zinc/76/87/35/987768735.db2.gz WMGVQGZUGYMUFB-NWDGAFQWSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@H]1C[C@@H](NCC[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC001246358426 987765168 /nfs/dbraw/zinc/76/51/68/987765168.db2.gz FEKHPZJSEBVIAY-RWMBFGLXSA-N 3 1 225.380 1.201 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC001246358426 987765176 /nfs/dbraw/zinc/76/51/76/987765176.db2.gz FEKHPZJSEBVIAY-RWMBFGLXSA-N 3 1 225.380 1.201 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC001246358426 987765185 /nfs/dbraw/zinc/76/51/85/987765185.db2.gz FEKHPZJSEBVIAY-RWMBFGLXSA-N 3 1 225.380 1.201 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246362499 987766689 /nfs/dbraw/zinc/76/66/89/987766689.db2.gz MAGFWZFOVLYNBU-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]C(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246363995 987771141 /nfs/dbraw/zinc/77/11/41/987771141.db2.gz RLEUFCCYBHLACJ-NWDGAFQWSA-N 3 1 241.423 1.870 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C[NH2+]1 ZINC001246366482 987773312 /nfs/dbraw/zinc/77/33/12/987773312.db2.gz JMBXTSXPNYXUMW-FQUUOJAGSA-N 3 1 239.407 1.589 20 0 BDADMP CC1(C)C[C@H](C[NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC001246370516 987773506 /nfs/dbraw/zinc/77/35/06/987773506.db2.gz HZLHYUVVIJMXTI-NEPJUHHUSA-N 2 1 226.364 1.533 20 0 BDADMP CC(C)n1cncc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246390380 987779851 /nfs/dbraw/zinc/77/98/51/987779851.db2.gz XSJGOWDPPCDMFZ-NWDGAFQWSA-N 2 1 236.363 1.694 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)C(C)(C)O)C[NH2+]1 ZINC001246392187 987781429 /nfs/dbraw/zinc/78/14/29/987781429.db2.gz VMDXZBASLFLPLK-NXEZZACHSA-N 2 1 214.353 1.266 20 0 BDADMP COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC001246443227 987803616 /nfs/dbraw/zinc/80/36/16/987803616.db2.gz MLFHYULGZIYTQX-SRVKXCTJSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]1C[C@H](NC2C[NH+](C(C)(C)C)C2)CC[NH2+]1 ZINC001246449446 987806492 /nfs/dbraw/zinc/80/64/92/987806492.db2.gz WNRIBLJVTUQHPH-GHMZBOCLSA-N 2 1 225.380 1.199 20 0 BDADMP [NH3+]CCC[NH2+]CCC[NH2+]C1CCCCCC1 ZINC001246454451 987809760 /nfs/dbraw/zinc/80/97/60/987809760.db2.gz UBMSFUZQGOQCMM-UHFFFAOYSA-N 3 1 227.396 1.627 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453834 987810966 /nfs/dbraw/zinc/81/09/66/987810966.db2.gz PYVRYOSAMDOOMH-RYUDHWBXSA-N 3 1 213.369 1.093 20 0 BDADMP CCCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246455395 987813040 /nfs/dbraw/zinc/81/30/40/987813040.db2.gz WVMVOVJPGZIJOW-LBPRGKRZSA-N 3 1 215.385 1.483 20 0 BDADMP [NH3+]CCC[NH2+]CCC[NH2+]C1Cc2ccccc2C1 ZINC001246455058 987814069 /nfs/dbraw/zinc/81/40/69/987814069.db2.gz WFPDEYQTISMQRQ-UHFFFAOYSA-N 3 1 247.386 1.072 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)C1CC1 ZINC001474756353 987819257 /nfs/dbraw/zinc/81/92/57/987819257.db2.gz CVCBODRNAKOLIH-XYJRDEOASA-N 2 1 208.349 1.715 20 0 BDADMP CCN1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246475461 987832550 /nfs/dbraw/zinc/83/25/50/987832550.db2.gz GGTUAUIAOWGXHW-AAEUAGOBSA-N 2 1 243.370 1.008 20 0 BDADMP CC1(C)CCC([NH2+]C[C@H]2C[NH2+]CCN2)CC1 ZINC001246485537 987841485 /nfs/dbraw/zinc/84/14/85/987841485.db2.gz AKSQQMVARIHBIP-GFCCVEGCSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CC(C)(C)C1 ZINC001246489574 987843236 /nfs/dbraw/zinc/84/32/36/987843236.db2.gz NUVAMIKNPXZMFC-AGIUHOORSA-N 2 1 239.407 1.352 20 0 BDADMP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488617 987844206 /nfs/dbraw/zinc/84/42/06/987844206.db2.gz LCKICWRCCZFMEW-MELADBBJSA-N 2 1 241.423 1.742 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)C2CC(F)(F)C2)CC[NH2+]1 ZINC001246523309 987871653 /nfs/dbraw/zinc/87/16/53/987871653.db2.gz AOFZQLGOEMWLRE-IUCAKERBSA-N 2 1 218.291 1.856 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)C2CC(F)(F)C2)CC[NH2+]1 ZINC001246523309 987871656 /nfs/dbraw/zinc/87/16/56/987871656.db2.gz AOFZQLGOEMWLRE-IUCAKERBSA-N 2 1 218.291 1.856 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246539141 987896625 /nfs/dbraw/zinc/89/66/25/987896625.db2.gz AZSKVKPSTMARBQ-GXTWGEPZSA-N 2 1 240.391 1.741 20 0 BDADMP CCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246537871 987896746 /nfs/dbraw/zinc/89/67/46/987896746.db2.gz DRALCXUBEFUXIS-FRRDWIJNSA-N 2 1 228.380 1.739 20 0 BDADMP CCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246537871 987896747 /nfs/dbraw/zinc/89/67/47/987896747.db2.gz DRALCXUBEFUXIS-FRRDWIJNSA-N 2 1 228.380 1.739 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246539063 987897945 /nfs/dbraw/zinc/89/79/45/987897945.db2.gz AOXXUCHCNWMMAO-PNESKVBLSA-N 3 1 225.380 1.330 20 0 BDADMP CCOC(=O)CC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539204 987904225 /nfs/dbraw/zinc/90/42/25/987904225.db2.gz CNRODPLDRFNTPW-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539948 987905181 /nfs/dbraw/zinc/90/51/81/987905181.db2.gz JBYGNDFUGJQPSW-QWHCGFSZSA-N 3 1 237.391 1.474 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539948 987905186 /nfs/dbraw/zinc/90/51/86/987905186.db2.gz JBYGNDFUGJQPSW-QWHCGFSZSA-N 3 1 237.391 1.474 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540118 987905497 /nfs/dbraw/zinc/90/54/97/987905497.db2.gz FOFMFTPCMRAPPR-VXGBXAGGSA-N 3 1 225.380 1.330 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540118 987905506 /nfs/dbraw/zinc/90/55/06/987905506.db2.gz FOFMFTPCMRAPPR-VXGBXAGGSA-N 3 1 225.380 1.330 20 0 BDADMP CCC[C@@H](CC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541924 987909261 /nfs/dbraw/zinc/90/92/61/987909261.db2.gz HRABNCKTGFPSKG-OLZOCXBDSA-N 2 1 228.380 1.741 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246543101 987909990 /nfs/dbraw/zinc/90/99/90/987909990.db2.gz TVLOEZJUKZTTEZ-QJPTWQEYSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CCC3(CCOC3)CC2)CC[NH2+]1 ZINC001246551442 987942154 /nfs/dbraw/zinc/94/21/54/987942154.db2.gz ZKBPGWMPRBDXFQ-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)CCO1 ZINC001246552705 987952375 /nfs/dbraw/zinc/95/23/75/987952375.db2.gz YXKZYXSYCOMAKD-WRWGMCAJSA-N 2 1 212.337 1.366 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CO1 ZINC001246551699 987953496 /nfs/dbraw/zinc/95/34/96/987953496.db2.gz MLQZNXIRPRXCIN-WCQYABFASA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001246553965 987958504 /nfs/dbraw/zinc/95/85/04/987958504.db2.gz ALZIPVXPWIIPRF-NWDGAFQWSA-N 3 1 225.380 1.045 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246554338 987961028 /nfs/dbraw/zinc/96/10/28/987961028.db2.gz ZSUGJWIEHREVLM-JHJVBQTASA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246554338 987961042 /nfs/dbraw/zinc/96/10/42/987961042.db2.gz ZSUGJWIEHREVLM-JHJVBQTASA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246554336 987962258 /nfs/dbraw/zinc/96/22/58/987962258.db2.gz ZSUGJWIEHREVLM-CRWXNKLISA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246554336 987962271 /nfs/dbraw/zinc/96/22/71/987962271.db2.gz ZSUGJWIEHREVLM-CRWXNKLISA-N 3 1 239.407 1.447 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)n[nH]2)C1 ZINC001321650860 987962794 /nfs/dbraw/zinc/96/27/94/987962794.db2.gz XMMOOTWNFAZTRS-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)n[nH]2)C1 ZINC001321650860 987962799 /nfs/dbraw/zinc/96/27/99/987962799.db2.gz XMMOOTWNFAZTRS-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP C[C@@H](CC1CC1)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556872 987971413 /nfs/dbraw/zinc/97/14/13/987971413.db2.gz GTCGAGMFQQBNEV-AAEUAGOBSA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCSC2)CC[C@@H]1C[NH3+] ZINC001246557244 987976440 /nfs/dbraw/zinc/97/64/40/987976440.db2.gz KDGVICAYJWFDRK-UTUOFQBUSA-N 2 1 228.405 1.799 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1N ZINC001246559808 987986257 /nfs/dbraw/zinc/98/62/57/987986257.db2.gz FBRJKWPLMSXIGB-AAVRWANBSA-N 2 1 237.391 1.188 20 0 BDADMP CCCC[C@@H](CCC)[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001246560963 987989115 /nfs/dbraw/zinc/98/91/15/987989115.db2.gz WBLGXUFWMNNVAD-IJLUTSLNSA-N 2 1 214.353 1.349 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CO1 ZINC001246562805 988004152 /nfs/dbraw/zinc/00/41/52/988004152.db2.gz WKQMGLKQJGZRKC-WCQYABFASA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2COC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246564492 988012375 /nfs/dbraw/zinc/01/23/75/988012375.db2.gz XHXDAEVQWMTHBR-AGIUHOORSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564358 988014147 /nfs/dbraw/zinc/01/41/47/988014147.db2.gz NBMJRJWIRBNIRX-FDYHWXHSSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564358 988014161 /nfs/dbraw/zinc/01/41/61/988014161.db2.gz NBMJRJWIRBNIRX-FDYHWXHSSA-N 3 1 225.380 1.186 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246565712 988015122 /nfs/dbraw/zinc/01/51/22/988015122.db2.gz PQDKWVVXNXYRAG-UPJWGTAASA-N 2 1 228.380 1.859 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246565712 988015136 /nfs/dbraw/zinc/01/51/36/988015136.db2.gz PQDKWVVXNXYRAG-UPJWGTAASA-N 2 1 228.380 1.859 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC001118118012 988019772 /nfs/dbraw/zinc/01/97/72/988019772.db2.gz CEFBWRLHYBZDGH-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC001118118012 988019791 /nfs/dbraw/zinc/01/97/91/988019791.db2.gz CEFBWRLHYBZDGH-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC001118118012 988019808 /nfs/dbraw/zinc/01/98/08/988019808.db2.gz CEFBWRLHYBZDGH-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563943 988020943 /nfs/dbraw/zinc/02/09/43/988020943.db2.gz YHIVVAFXSXOVBQ-XJFOESAGSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2COC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246564497 988021175 /nfs/dbraw/zinc/02/11/75/988021175.db2.gz XHXDAEVQWMTHBR-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C[C@H]1[NH3+] ZINC001246566049 988024791 /nfs/dbraw/zinc/02/47/91/988024791.db2.gz DKFFGWPDMOUCID-VCTAVGKDSA-N 2 1 248.345 1.962 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C[C@H]1[NH3+] ZINC001246566049 988024805 /nfs/dbraw/zinc/02/48/05/988024805.db2.gz DKFFGWPDMOUCID-VCTAVGKDSA-N 2 1 248.345 1.962 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246567664 988025157 /nfs/dbraw/zinc/02/51/57/988025157.db2.gz NJEJPQCEZOIWKV-RMPHRYRLSA-N 2 1 208.349 1.700 20 0 BDADMP F[C@H]1CCCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246567215 988025634 /nfs/dbraw/zinc/02/56/34/988025634.db2.gz MCASICBAEMTJGG-JTQLQIEISA-N 2 1 200.301 1.562 20 0 BDADMP F[C@H]1CCCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246567215 988025650 /nfs/dbraw/zinc/02/56/50/988025650.db2.gz MCASICBAEMTJGG-JTQLQIEISA-N 2 1 200.301 1.562 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@](C)(CF)C2)CC[NH2+]1 ZINC001246573973 988069198 /nfs/dbraw/zinc/06/91/98/988069198.db2.gz HEACTTYDCUMSDT-IJLUTSLNSA-N 2 1 214.328 1.808 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246574116 988074762 /nfs/dbraw/zinc/07/47/62/988074762.db2.gz DCFKPTCTIFLUAG-STQMWFEESA-N 2 1 243.370 1.234 20 0 BDADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001322034155 988083026 /nfs/dbraw/zinc/08/30/26/988083026.db2.gz HUVYMVXQVKRHSL-LBPRGKRZSA-N 2 1 243.395 1.079 20 0 BDADMP CCCCCC[C@@H](CC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246578205 988090395 /nfs/dbraw/zinc/09/03/95/988090395.db2.gz GTCPLXZXBROAEL-BFHYXJOUSA-N 2 1 242.407 1.987 20 0 BDADMP CCOCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118197859 988094852 /nfs/dbraw/zinc/09/48/52/988094852.db2.gz FAVRXUPOZGXQQD-UHFFFAOYSA-N 2 1 240.391 1.879 20 0 BDADMP C[N@@H+]1CCC[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)CC1 ZINC001246579610 988099811 /nfs/dbraw/zinc/09/98/11/988099811.db2.gz CKMYFRJNJRAQAF-GHMZBOCLSA-N 2 1 247.333 1.139 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)CC1 ZINC001246579610 988099827 /nfs/dbraw/zinc/09/98/27/988099827.db2.gz CKMYFRJNJRAQAF-GHMZBOCLSA-N 2 1 247.333 1.139 20 0 BDADMP COC[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246579093 988102282 /nfs/dbraw/zinc/10/22/82/988102282.db2.gz APQYYBLZDVJQJE-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246578979 988103671 /nfs/dbraw/zinc/10/36/71/988103671.db2.gz XDXRMDHLEFXSKA-GRYCIOLGSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(F)C2)CC[NH2+]1 ZINC001246578979 988103683 /nfs/dbraw/zinc/10/36/83/988103683.db2.gz XDXRMDHLEFXSKA-GRYCIOLGSA-N 2 1 214.328 1.951 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246581991 988109075 /nfs/dbraw/zinc/10/90/75/988109075.db2.gz LYSFVZJDJXJBQH-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583029 988124461 /nfs/dbraw/zinc/12/44/61/988124461.db2.gz IJRSNOVVRGQGIN-XDQVBPFNSA-N 2 1 242.407 1.699 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246582992 988125476 /nfs/dbraw/zinc/12/54/76/988125476.db2.gz IADOLAGIJZQHPL-CMPLNLGQSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586559 988141706 /nfs/dbraw/zinc/14/17/06/988141706.db2.gz RGSBJDUSWQZTGG-MROQNXINSA-N 2 1 240.391 1.453 20 0 BDADMP CCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246588573 988153736 /nfs/dbraw/zinc/15/37/36/988153736.db2.gz QNTXZSIIILHEAL-AXFHLTTASA-N 2 1 202.317 1.936 20 0 BDADMP CCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246588573 988153742 /nfs/dbraw/zinc/15/37/42/988153742.db2.gz QNTXZSIIILHEAL-AXFHLTTASA-N 2 1 202.317 1.936 20 0 BDADMP C[C@H](CC1CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589136 988160087 /nfs/dbraw/zinc/16/00/87/988160087.db2.gz RUGHDDZWYBFBSR-YUSALJHKSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589136 988160100 /nfs/dbraw/zinc/16/01/00/988160100.db2.gz RUGHDDZWYBFBSR-YUSALJHKSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CCC3(CC([NH3+])C3)CC2)CC[NH2+]1 ZINC001246603876 988216480 /nfs/dbraw/zinc/21/64/80/988216480.db2.gz PALRBBWQXYWBPS-WCQYABFASA-N 3 1 237.391 1.330 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621778 988264353 /nfs/dbraw/zinc/26/43/53/988264353.db2.gz GJENRDXLLGQODR-HZSPNIEDSA-N 2 1 240.391 1.731 20 0 BDADMP [NH3+]CC1(F)CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246624039 988276473 /nfs/dbraw/zinc/27/64/73/988276473.db2.gz DGAMSWFGWMLUPN-GDNZZTSVSA-N 2 1 241.354 1.032 20 0 BDADMP CC[C@@H](CC(C)C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246627497 988292652 /nfs/dbraw/zinc/29/26/52/988292652.db2.gz KHDCHQBCTDVIFD-UONOGXRCSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]1C[C@H](N2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246630099 988301935 /nfs/dbraw/zinc/30/19/35/988301935.db2.gz RSDSRLLIUNORGA-VXGBXAGGSA-N 2 1 243.370 1.280 20 0 BDADMP CC[C@H]1C[C@@H](N2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246630098 988308451 /nfs/dbraw/zinc/30/84/51/988308451.db2.gz RSDSRLLIUNORGA-RYUDHWBXSA-N 2 1 243.370 1.280 20 0 BDADMP C1CC12CCC([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246637873 988329096 /nfs/dbraw/zinc/32/90/96/988329096.db2.gz AEICSNSHEFBGKO-OAHLLOKOSA-N 2 1 249.402 1.347 20 0 BDADMP FC1(F)C[C@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246640454 988337237 /nfs/dbraw/zinc/33/72/37/988337237.db2.gz UIEUUAJWSQIPAZ-OUAUKWLOSA-N 2 1 230.302 1.716 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2C2CCC3(CC[NH2+]C3)CC2)[NH2+]1 ZINC001246638815 988337520 /nfs/dbraw/zinc/33/75/20/988337520.db2.gz UKTILOGBVFWTDO-PIOWNMBXSA-N 3 1 249.402 1.345 20 0 BDADMP C1C[C@@H]2[C@@H](CCN2C2CCC3(CC[NH2+]C3)CC2)[NH2+]1 ZINC001246638815 988337533 /nfs/dbraw/zinc/33/75/33/988337533.db2.gz UKTILOGBVFWTDO-PIOWNMBXSA-N 2 1 249.402 1.345 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645349 988362687 /nfs/dbraw/zinc/36/26/87/988362687.db2.gz UMPMPPXRRSZKEW-QVHKTLOISA-N 2 1 249.402 1.058 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645516 988363737 /nfs/dbraw/zinc/36/37/37/988363737.db2.gz BYHCNMRWUGTRTL-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645346 988364162 /nfs/dbraw/zinc/36/41/62/988364162.db2.gz UMPMPPXRRSZKEW-GUIRCDHDSA-N 2 1 249.402 1.058 20 0 BDADMP C1C[C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC001246657437 988382340 /nfs/dbraw/zinc/38/23/40/988382340.db2.gz QMAHJCPQQJIMTA-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670077 988412029 /nfs/dbraw/zinc/41/20/29/988412029.db2.gz WFFAZSYEPLDAFS-DBIOUOCHSA-N 2 1 246.301 1.093 20 0 BDADMP C[C@@H]1C[C@@H](N2C[C@H](C)[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC001246687613 988435927 /nfs/dbraw/zinc/43/59/27/988435927.db2.gz AWJJZOAAYKLIJU-XQHKEYJVSA-N 2 1 225.380 1.151 20 0 BDADMP COC(=O)C1(C)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246794893 988473214 /nfs/dbraw/zinc/47/32/14/988473214.db2.gz HQASGHKVEOJVSC-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP CC[C@@H]1CNCC[N@H+]1C1CCC([NH2+]C)CC1 ZINC001246796439 988473415 /nfs/dbraw/zinc/47/34/15/988473415.db2.gz BBPVWWCLVZWWTC-OTTFEQOBSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@@H]1C[NH2+]CCN1C1CCC([NH2+]C)CC1 ZINC001246796439 988473421 /nfs/dbraw/zinc/47/34/21/988473421.db2.gz BBPVWWCLVZWWTC-OTTFEQOBSA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246805230 988486865 /nfs/dbraw/zinc/48/68/65/988486865.db2.gz RMBTXJXQKLGGJI-RIDRBNGDSA-N 3 1 235.375 1.224 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246808764 988490293 /nfs/dbraw/zinc/49/02/93/988490293.db2.gz PCBCDGGCJRBERP-LBELIVKGSA-N 3 1 223.364 1.081 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246808766 988490940 /nfs/dbraw/zinc/49/09/40/988490940.db2.gz PCBCDGGCJRBERP-UJPOAAIJSA-N 3 1 223.364 1.081 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843061 988546068 /nfs/dbraw/zinc/54/60/68/988546068.db2.gz AWBDMPZPCZNEDL-RYUDHWBXSA-N 2 1 237.391 1.058 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843052 988551488 /nfs/dbraw/zinc/55/14/88/988551488.db2.gz AWBDMPZPCZNEDL-NEPJUHHUSA-N 2 1 237.391 1.058 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246849675 988564235 /nfs/dbraw/zinc/56/42/35/988564235.db2.gz AMKGETCEQBQFPP-MDZLAQPJSA-N 2 1 208.349 1.988 20 0 BDADMP C[C@H]1CC[C@@H](N2CCC[N@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246850600 988566092 /nfs/dbraw/zinc/56/60/92/988566092.db2.gz UUIMAIHKNNYAGZ-MJBXVCDLSA-N 2 1 237.391 1.297 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246850911 988566983 /nfs/dbraw/zinc/56/69/83/988566983.db2.gz KCHXQFSJADVJCY-CYZMBNFOSA-N 2 1 224.348 1.428 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001246855676 988579847 /nfs/dbraw/zinc/57/98/47/988579847.db2.gz VCEHXFFWHMDBME-ZOWXZIJZSA-N 2 1 246.329 1.716 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001246856289 988581492 /nfs/dbraw/zinc/58/14/92/988581492.db2.gz WPIZMTRMQWMOQE-XYTAGDGMSA-N 2 1 222.332 1.120 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001503588507 988668354 /nfs/dbraw/zinc/66/83/54/988668354.db2.gz DNJHSCBNMFSYHY-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@@H]1CC[C@H](N2CC[C@@H]([N@@H+](C)C3CC3)C2)C[NH2+]1 ZINC001246905863 988684824 /nfs/dbraw/zinc/68/48/24/988684824.db2.gz AKWUPPDFJQJKKN-KWCYVHTRSA-N 2 1 237.391 1.295 20 0 BDADMP COC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246910643 988686254 /nfs/dbraw/zinc/68/62/54/988686254.db2.gz BDWNJXGEGIVEBS-ZYHUDNBSSA-N 2 1 240.347 1.154 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913754 988703820 /nfs/dbraw/zinc/70/38/20/988703820.db2.gz LQFOOIRKJMGRQL-WCQYABFASA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913754 988703835 /nfs/dbraw/zinc/70/38/35/988703835.db2.gz LQFOOIRKJMGRQL-WCQYABFASA-N 2 1 219.332 1.436 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246918060 988716102 /nfs/dbraw/zinc/71/61/02/988716102.db2.gz TXBVFHLPVSMXBP-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246918060 988716124 /nfs/dbraw/zinc/71/61/24/988716124.db2.gz TXBVFHLPVSMXBP-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@@H+](CCC(=O)OC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246918552 988719009 /nfs/dbraw/zinc/71/90/09/988719009.db2.gz FGPQZOLLUVRGHH-QWRGUYRKSA-N 2 1 228.336 1.012 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)[C@H]2CCCCNC2)CC1 ZINC001246920623 988728195 /nfs/dbraw/zinc/72/81/95/988728195.db2.gz OGLCKOBERYZPBV-RUXDESIVSA-N 2 1 239.407 1.591 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCCCNC2)CC1 ZINC001246920623 988728204 /nfs/dbraw/zinc/72/82/04/988728204.db2.gz OGLCKOBERYZPBV-RUXDESIVSA-N 2 1 239.407 1.591 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]21 ZINC001246918964 988729515 /nfs/dbraw/zinc/72/95/15/988729515.db2.gz LNBCQEQPNOROLN-NGDQXYMTSA-N 2 1 206.333 1.325 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]21 ZINC001246918964 988729533 /nfs/dbraw/zinc/72/95/33/988729533.db2.gz LNBCQEQPNOROLN-NGDQXYMTSA-N 2 1 206.333 1.325 20 0 BDADMP C[C@@H]1CC[C@H](N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C[NH2+]1 ZINC001246921708 988738116 /nfs/dbraw/zinc/73/81/16/988738116.db2.gz VFSMGQQOWQGLAR-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C1[NH2+][C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924873 988747281 /nfs/dbraw/zinc/74/72/81/988747281.db2.gz NGQAZGBOQDMQQZ-JSGCOSHPSA-N 3 1 249.402 1.202 20 0 BDADMP C1N[C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924873 988747303 /nfs/dbraw/zinc/74/73/03/988747303.db2.gz NGQAZGBOQDMQQZ-JSGCOSHPSA-N 2 1 249.402 1.202 20 0 BDADMP C1N[C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924873 988747345 /nfs/dbraw/zinc/74/73/45/988747345.db2.gz NGQAZGBOQDMQQZ-JSGCOSHPSA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+][C@H]2CN(C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924873 988747361 /nfs/dbraw/zinc/74/73/61/988747361.db2.gz NGQAZGBOQDMQQZ-JSGCOSHPSA-N 2 1 249.402 1.202 20 0 BDADMP CC(C)[N@@H+](CCCCCO)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246925065 988751365 /nfs/dbraw/zinc/75/13/65/988751365.db2.gz KULQREPLQKLFCQ-KBPBESRZSA-N 2 1 242.407 2.000 20 0 BDADMP CC[NH+]1C[C@@H]2CN([C@@H]3CC[NH2+][C@H](C)C3)C[C@H]2C1 ZINC001246980685 988811164 /nfs/dbraw/zinc/81/11/64/988811164.db2.gz RQUDCGUBTPFJRG-AAVRWANBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H](N)C[N@@H+](C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246980384 988812652 /nfs/dbraw/zinc/81/26/52/988812652.db2.gz HZVVTRYCKOYADC-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246980384 988812658 /nfs/dbraw/zinc/81/26/58/988812658.db2.gz HZVVTRYCKOYADC-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC([N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)C[C@H](C)C1 ZINC001246985307 988815455 /nfs/dbraw/zinc/81/54/55/988815455.db2.gz AOHNPHCCXHDMKZ-NQBHXWOUSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H]1CC([N@H+]2C[C@@H]([NH3+])C3(COC3)C2)C[C@H](C)C1 ZINC001246985307 988815457 /nfs/dbraw/zinc/81/54/57/988815457.db2.gz AOHNPHCCXHDMKZ-NQBHXWOUSA-N 2 1 238.375 1.471 20 0 BDADMP CCCC[C@@H](CC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990775 988824372 /nfs/dbraw/zinc/82/43/72/988824372.db2.gz QKVMSBNPGIUAKO-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP CCCC[C@@H](CC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990775 988824373 /nfs/dbraw/zinc/82/43/73/988824373.db2.gz QKVMSBNPGIUAKO-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997353 988832120 /nfs/dbraw/zinc/83/21/20/988832120.db2.gz UDPYIDZINOGPTG-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP O=C1CCC[C@H]2C[N@H+](C3CC[NH2+]CC3)C[C@H]12 ZINC001247005639 988837304 /nfs/dbraw/zinc/83/73/04/988837304.db2.gz QUQSOLVXQVMFKS-JQWIXIFHSA-N 2 1 222.332 1.039 20 0 BDADMP CCC[C@H](C[NH+]1CCC([NH+](C)C)CC1)OC ZINC001119237839 988856362 /nfs/dbraw/zinc/85/63/62/988856362.db2.gz NNZNKXJBADQKQX-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC001247697486 988992446 /nfs/dbraw/zinc/99/24/46/988992446.db2.gz FSHSJMXPBPBHRA-LLVKDONJSA-N 2 1 246.314 1.865 20 0 BDADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c(N)n2)C1 ZINC001515514409 989058461 /nfs/dbraw/zinc/05/84/61/989058461.db2.gz LLFBDMYJLMYEJM-NSHDSACASA-N 2 1 249.362 1.227 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c(N)n2)C1 ZINC001515514409 989058476 /nfs/dbraw/zinc/05/84/76/989058476.db2.gz LLFBDMYJLMYEJM-NSHDSACASA-N 2 1 249.362 1.227 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnc(C)s1 ZINC001325719633 989234717 /nfs/dbraw/zinc/23/47/17/989234717.db2.gz ZFWDMSOQNJWTDU-RKDXNWHRSA-N 2 1 227.377 1.958 20 0 BDADMP C[NH2+]C[C@H](C)CNCc1cccc2c1CC[NH2+]C2 ZINC001119611684 989236214 /nfs/dbraw/zinc/23/62/14/989236214.db2.gz WESMQSYHEGNVAX-LBPRGKRZSA-N 2 1 247.386 1.277 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001119631309 989265774 /nfs/dbraw/zinc/26/57/74/989265774.db2.gz RSIXNTOAMKBOGZ-SRVKXCTJSA-N 3 1 227.396 1.338 20 0 BDADMP Nc1c[nH+]cn1-c1cc[nH+]cc1C(F)(F)F ZINC001249584780 989320304 /nfs/dbraw/zinc/32/03/04/989320304.db2.gz NIJWDYKCSOPRIS-UHFFFAOYSA-N 2 1 228.177 1.868 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001119850416 989439119 /nfs/dbraw/zinc/43/91/19/989439119.db2.gz YQEWAFYNMBSAPM-NEPJUHHUSA-N 2 1 234.347 1.578 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])CC ZINC001326688133 989653966 /nfs/dbraw/zinc/65/39/66/989653966.db2.gz OYLQGKQWCWHIGD-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](C)O ZINC001120559932 989726043 /nfs/dbraw/zinc/72/60/43/989726043.db2.gz ZRBNFKWSORZIMS-LLVKDONJSA-N 2 1 245.326 1.651 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001120612159 989787980 /nfs/dbraw/zinc/78/79/80/989787980.db2.gz WLTJVEXYACSFRG-JTDRMQGGSA-N 2 1 238.375 1.076 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001120612159 989788000 /nfs/dbraw/zinc/78/80/00/989788000.db2.gz WLTJVEXYACSFRG-JTDRMQGGSA-N 2 1 238.375 1.076 20 0 BDADMP CC(C)(C)[N@@H+]1CCCN(c2cc[nH+]c(N)n2)CC1 ZINC001120888597 989947588 /nfs/dbraw/zinc/94/75/88/989947588.db2.gz FONQLCCKXKUHRD-UHFFFAOYSA-N 2 1 249.362 1.369 20 0 BDADMP CC(C)(C)[N@H+]1CCCN(c2cc[nH+]c(N)n2)CC1 ZINC001120888597 989947602 /nfs/dbraw/zinc/94/76/02/989947602.db2.gz FONQLCCKXKUHRD-UHFFFAOYSA-N 2 1 249.362 1.369 20 0 BDADMP CC(C)=CCC[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258075785 990974784 /nfs/dbraw/zinc/97/47/84/990974784.db2.gz DYHRXTZTFKXNJG-QWHCGFSZSA-N 2 1 226.364 1.781 20 0 BDADMP CC(C)=CCC[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258075785 990974770 /nfs/dbraw/zinc/97/47/70/990974770.db2.gz DYHRXTZTFKXNJG-QWHCGFSZSA-N 2 1 226.364 1.781 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3cccnc3F)C[C@@H]2C1 ZINC001138787673 991053902 /nfs/dbraw/zinc/05/39/02/991053902.db2.gz YVZLKBKMEDOOHP-YPMHNXCESA-N 2 1 249.333 1.604 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3F)C[C@@H]2C1 ZINC001138787673 991053911 /nfs/dbraw/zinc/05/39/11/991053911.db2.gz YVZLKBKMEDOOHP-YPMHNXCESA-N 2 1 249.333 1.604 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3F)C[C@@H]2C1 ZINC001138787673 991053921 /nfs/dbraw/zinc/05/39/21/991053921.db2.gz YVZLKBKMEDOOHP-YPMHNXCESA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3F)C[C@@H]2C1 ZINC001138787673 991053931 /nfs/dbraw/zinc/05/39/31/991053931.db2.gz YVZLKBKMEDOOHP-YPMHNXCESA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3F)C[C@@H]2C1 ZINC001138787673 991053940 /nfs/dbraw/zinc/05/39/40/991053940.db2.gz YVZLKBKMEDOOHP-YPMHNXCESA-N 2 1 249.333 1.604 20 0 BDADMP C[C@H](Cc1ccco1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258176929 991072608 /nfs/dbraw/zinc/07/26/08/991072608.db2.gz KVHKWQMENPZAFL-GHMZBOCLSA-N 2 1 249.314 1.142 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)C(F)F ZINC001308791300 991122575 /nfs/dbraw/zinc/12/25/75/991122575.db2.gz HKRBYDBWXQGCTB-UWVGGRQHSA-N 2 1 236.306 1.075 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001258348278 991275384 /nfs/dbraw/zinc/27/53/84/991275384.db2.gz KGHZXZQYZTWSTB-SNVBAGLBSA-N 2 1 239.319 1.123 20 0 BDADMP COC(=O)CC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001258348343 991278186 /nfs/dbraw/zinc/27/81/86/991278186.db2.gz KTYSDCHUPPVHLZ-SECBINFHSA-N 2 1 239.319 1.207 20 0 BDADMP C[C@H](CC1CC1)[NH2+]CCC[N@@H+](C)CCO ZINC001258456179 991410084 /nfs/dbraw/zinc/41/00/84/991410084.db2.gz HXCSXGXAFJEBKQ-LLVKDONJSA-N 2 1 214.353 1.079 20 0 BDADMP CCOC(=O)CC[C@@H](C)n1c[nH+]cc1CC[NH3+] ZINC001258472365 991441469 /nfs/dbraw/zinc/44/14/69/991441469.db2.gz DKVOAHMENPWFES-SNVBAGLBSA-N 2 1 239.319 1.289 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CCC(=O)OCC ZINC001258475093 991445140 /nfs/dbraw/zinc/44/51/40/991445140.db2.gz AHBASTQUIILEAL-GFCCVEGCSA-N 2 1 244.379 1.779 20 0 BDADMP CC1(C)CC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001258596109 991494433 /nfs/dbraw/zinc/49/44/33/991494433.db2.gz SGOYICGTCFWDLU-MNOVXSKESA-N 2 1 237.347 1.496 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1cccnc1 ZINC001258613344 991538528 /nfs/dbraw/zinc/53/85/28/991538528.db2.gz OIFGSRRKHGCTQV-NSHDSACASA-N 2 1 244.342 1.891 20 0 BDADMP CCn1cncc1CN1CC[C@H]([N@@H+](C)CC)C1 ZINC001561057561 991708149 /nfs/dbraw/zinc/70/81/49/991708149.db2.gz RWTLGHJLMVHSAR-LBPRGKRZSA-N 2 1 236.363 1.429 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001258771643 991738151 /nfs/dbraw/zinc/73/81/51/991738151.db2.gz MPAMGCFTAGGTIE-STQMWFEESA-N 2 1 244.354 1.266 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001258771643 991738155 /nfs/dbraw/zinc/73/81/55/991738155.db2.gz MPAMGCFTAGGTIE-STQMWFEESA-N 2 1 244.354 1.266 20 0 BDADMP CCC[NH+]1CCC(N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001258777914 991744437 /nfs/dbraw/zinc/74/44/37/991744437.db2.gz NDOPVRPNLHLKLJ-CQSZACIVSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](O)C[C@H]1C ZINC001258908643 991898240 /nfs/dbraw/zinc/89/82/40/991898240.db2.gz ZJDZUNCLSQKLAG-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCN(C)C ZINC001258907375 991898319 /nfs/dbraw/zinc/89/83/19/991898319.db2.gz JWNJHADEKSOUNG-CQSZACIVSA-N 2 1 243.439 1.990 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCO)[C@H](C)C1 ZINC001319604095 991906575 /nfs/dbraw/zinc/90/65/75/991906575.db2.gz QPFFFNSAJVRBPA-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCO)[C@H](C)C1 ZINC001319604095 991906587 /nfs/dbraw/zinc/90/65/87/991906587.db2.gz QPFFFNSAJVRBPA-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCO)[C@H](C)C1 ZINC001319604095 991906597 /nfs/dbraw/zinc/90/65/97/991906597.db2.gz QPFFFNSAJVRBPA-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC001261423345 992297271 /nfs/dbraw/zinc/29/72/71/992297271.db2.gz UGVPDPYYQKUMKK-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)(C)O[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC001573469847 992616600 /nfs/dbraw/zinc/61/66/00/992616600.db2.gz YWBIIIZGAKRQGH-GMTAPVOTSA-N 2 1 212.337 1.284 20 0 BDADMP FCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001262077773 992653684 /nfs/dbraw/zinc/65/36/84/992653684.db2.gz OKDPFNKIPBVGGN-NSHDSACASA-N 2 1 200.301 1.422 20 0 BDADMP FCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001262077773 992653693 /nfs/dbraw/zinc/65/36/93/992653693.db2.gz OKDPFNKIPBVGGN-NSHDSACASA-N 2 1 200.301 1.422 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2OC)C1 ZINC001262483772 992891888 /nfs/dbraw/zinc/89/18/88/992891888.db2.gz NDZFEMTXZNKJRJ-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C(C1=NOCC1)[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001574800437 992914723 /nfs/dbraw/zinc/91/47/23/992914723.db2.gz IFTVFDGGJZYXTP-AAEUAGOBSA-N 2 1 237.347 1.227 20 0 BDADMP C(C1=NOCC1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001574800437 992914737 /nfs/dbraw/zinc/91/47/37/992914737.db2.gz IFTVFDGGJZYXTP-AAEUAGOBSA-N 2 1 237.347 1.227 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC001574816464 992917597 /nfs/dbraw/zinc/91/75/97/992917597.db2.gz FRDMQEYHBJSOBN-USZNOCQGSA-N 2 1 206.333 1.659 20 0 BDADMP C=C/C=C\CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC001574888001 992935489 /nfs/dbraw/zinc/93/54/89/992935489.db2.gz FYEJSILWTXGMBG-ZBJFTSOASA-N 2 1 204.264 1.691 20 0 BDADMP CC(C)(C)OC(=O)CC[NH2+][C@@H](C[NH3+])C1CC1 ZINC001575160184 993000368 /nfs/dbraw/zinc/00/03/68/993000368.db2.gz HDQADKKXMQWGNV-JTQLQIEISA-N 2 1 228.336 1.045 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[NH2+]CC1C[NH2+]C1 ZINC001575282883 993004328 /nfs/dbraw/zinc/00/43/28/993004328.db2.gz VXEVYYVFGGCMRK-UHFFFAOYSA-N 2 1 222.336 1.016 20 0 BDADMP CC(C)(C)c1ncc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cn1 ZINC001575285419 993005929 /nfs/dbraw/zinc/00/59/29/993005929.db2.gz XXNPMYRTLKIOPO-PHIMTYICSA-N 2 1 234.347 1.353 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575423069 993040469 /nfs/dbraw/zinc/04/04/69/993040469.db2.gz ORCYDQVPFWYPMX-DTWKUNHWSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001575422867 993040621 /nfs/dbraw/zinc/04/06/21/993040621.db2.gz NSWVZKFVWTVERJ-AAVRWANBSA-N 3 1 239.407 1.147 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001575422867 993040625 /nfs/dbraw/zinc/04/06/25/993040625.db2.gz NSWVZKFVWTVERJ-AAVRWANBSA-N 2 1 239.407 1.147 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001575422867 993040632 /nfs/dbraw/zinc/04/06/32/993040632.db2.gz NSWVZKFVWTVERJ-AAVRWANBSA-N 2 1 239.407 1.147 20 0 BDADMP CC(C)CC[N@@H+]1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001575574494 993077557 /nfs/dbraw/zinc/07/75/57/993077557.db2.gz LYDSVLRVBGESRU-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[N@H+]1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001575574494 993077565 /nfs/dbraw/zinc/07/75/65/993077565.db2.gz LYDSVLRVBGESRU-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)COC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001575606433 993077726 /nfs/dbraw/zinc/07/77/26/993077726.db2.gz VRLGFPSHPXQYOR-NWDGAFQWSA-N 2 1 242.363 1.102 20 0 BDADMP CC(C)COC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001575606433 993077734 /nfs/dbraw/zinc/07/77/34/993077734.db2.gz VRLGFPSHPXQYOR-NWDGAFQWSA-N 2 1 242.363 1.102 20 0 BDADMP CC(C)COC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001575606036 993079758 /nfs/dbraw/zinc/07/97/58/993079758.db2.gz COCMSZZQHYYYIK-VXGBXAGGSA-N 2 1 242.363 1.102 20 0 BDADMP CC(C)Cn1nccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001575681501 993092583 /nfs/dbraw/zinc/09/25/83/993092583.db2.gz NJQKCFSJQUZDCQ-PHIMTYICSA-N 2 1 222.336 1.118 20 0 BDADMP Cc1cccnc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000379939630 993295686 /nfs/dbraw/zinc/29/56/86/993295686.db2.gz WYUBNFWCSUNJIF-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)O1 ZINC001576421242 993300961 /nfs/dbraw/zinc/30/09/61/993300961.db2.gz KLAXHTPDNPHZMD-GHMZBOCLSA-N 2 1 226.364 1.674 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@H]2CCC[NH2+]C2)C1 ZINC001576440860 993308622 /nfs/dbraw/zinc/30/86/22/993308622.db2.gz UDCLDYXGQWUDDG-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)OC[C@H](C[N@H+]2CCCC[C@H]2CC[NH3+])O1 ZINC001576494737 993314131 /nfs/dbraw/zinc/31/41/31/993314131.db2.gz FFWZXTARJOOWCI-RYUDHWBXSA-N 2 1 242.363 1.341 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]C2)C[C@H]2C[C@H]2C1 ZINC001576520075 993329819 /nfs/dbraw/zinc/32/98/19/993329819.db2.gz XNVWVFIPPNDIJN-XQHKEYJVSA-N 2 1 208.349 1.764 20 0 BDADMP CC1=CC[C@@H]([NH2+]C[C@@]2(C)C[NH2+]CCO2)CC1 ZINC001576556323 993342779 /nfs/dbraw/zinc/34/27/79/993342779.db2.gz OWXAEJKJFCSTIA-CHWSQXEVSA-N 2 1 224.348 1.453 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]([NH3+])CCC(C)(C)C ZINC001576572454 993349968 /nfs/dbraw/zinc/34/99/68/993349968.db2.gz LOHLKVNSKYKUKV-UPJWGTAASA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H]([NH3+])CCC(C)(C)C ZINC001576572454 993349973 /nfs/dbraw/zinc/34/99/73/993349973.db2.gz LOHLKVNSKYKUKV-UPJWGTAASA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573617 993351389 /nfs/dbraw/zinc/35/13/89/993351389.db2.gz SRJRBWFCJSGPEC-YVECIDJPSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H]1C[C@@H](C[NH2+]C2(c3ncon3)CC2)CC[NH2+]1 ZINC001576597811 993361831 /nfs/dbraw/zinc/36/18/31/993361831.db2.gz IPDSWJUSDHOEIG-UWVGGRQHSA-N 2 1 236.319 1.036 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001576689653 993395420 /nfs/dbraw/zinc/39/54/20/993395420.db2.gz DSEBCOGKLPZIHM-POQQGIQPSA-N 2 1 222.376 1.962 20 0 BDADMP CCc1nc(N2CCC[C@H]([NH3+])[C@@H]2C)cc(C)[nH+]1 ZINC000381452507 993397105 /nfs/dbraw/zinc/39/71/05/993397105.db2.gz HGDBCLMNKORAJT-QWRGUYRKSA-N 2 1 234.347 1.663 20 0 BDADMP C[C@H]1CC[N@H+](CC(C)(C)C[NH3+])C[C@@H]1F ZINC001576729761 993407722 /nfs/dbraw/zinc/40/77/22/993407722.db2.gz XYPMUVGIWZHSMZ-UWVGGRQHSA-N 2 1 202.317 1.651 20 0 BDADMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH3+])C[C@@H]1F ZINC001576729761 993407727 /nfs/dbraw/zinc/40/77/27/993407727.db2.gz XYPMUVGIWZHSMZ-UWVGGRQHSA-N 2 1 202.317 1.651 20 0 BDADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCC[NH2+]C1CC1 ZINC001576730987 993409428 /nfs/dbraw/zinc/40/94/28/993409428.db2.gz BPRBWXUQKRSAAB-MBNYWOFBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001576806912 993427324 /nfs/dbraw/zinc/42/73/24/993427324.db2.gz KVLMOLPKFZIGKT-GHMZBOCLSA-N 2 1 232.318 1.963 20 0 BDADMP C[C@@H]1C[N@@H+](CC23CC(C)(C2)OC3)CC[C@@H]1[NH3+] ZINC001576801684 993428157 /nfs/dbraw/zinc/42/81/57/993428157.db2.gz SWVNYJYLQZXZOL-IALDZJHCSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1C[N@H+](CCC2CC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576800786 993428827 /nfs/dbraw/zinc/42/88/27/993428827.db2.gz MABBRWPSCHLNSL-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576800786 993428831 /nfs/dbraw/zinc/42/88/31/993428831.db2.gz MABBRWPSCHLNSL-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@@](C)(C[NH2+]C[C@H]([NH3+])CC(F)(F)F)OC ZINC001576949797 993464387 /nfs/dbraw/zinc/46/43/87/993464387.db2.gz QPUMIRZCUKQKHB-BDAKNGLRSA-N 2 1 242.285 1.671 20 0 BDADMP CC[C@](C)(C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])OC ZINC001576949751 993465008 /nfs/dbraw/zinc/46/50/08/993465008.db2.gz OGGGATOJYDNUFI-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])OC ZINC001576949751 993465014 /nfs/dbraw/zinc/46/50/14/993465014.db2.gz OGGGATOJYDNUFI-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001576965396 993473723 /nfs/dbraw/zinc/47/37/23/993473723.db2.gz AEVGZSVOERIJIZ-LOWVWBTDSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001576965396 993473728 /nfs/dbraw/zinc/47/37/28/993473728.db2.gz AEVGZSVOERIJIZ-LOWVWBTDSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001576965742 993473733 /nfs/dbraw/zinc/47/37/33/993473733.db2.gz DHJZDVGTYQFIMB-QCNOEVLYSA-N 2 1 242.363 1.101 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2)OC ZINC001576970374 993474588 /nfs/dbraw/zinc/47/45/88/993474588.db2.gz IPDHRPMBFQSQOF-XUXIUFHCSA-N 2 1 240.391 1.922 20 0 BDADMP CCC(CC)(C[NH3+])CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001577051749 993489074 /nfs/dbraw/zinc/48/90/74/993489074.db2.gz ZFDGUTYWTQOARD-OLZOCXBDSA-N 2 1 239.407 1.387 20 0 BDADMP CCC(CC)(C[NH3+])C[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC001577051749 993489079 /nfs/dbraw/zinc/48/90/79/993489079.db2.gz ZFDGUTYWTQOARD-OLZOCXBDSA-N 2 1 239.407 1.387 20 0 BDADMP CCC(CC)(C[NH3+])C[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC001577051749 993489082 /nfs/dbraw/zinc/48/90/82/993489082.db2.gz ZFDGUTYWTQOARD-OLZOCXBDSA-N 2 1 239.407 1.387 20 0 BDADMP CCC(CC)(C[NH3+])C[N@@H+](C)C[C@H](C)C(=O)NC ZINC001577050817 993489563 /nfs/dbraw/zinc/48/95/63/993489563.db2.gz GISWXNQKRCZKOJ-NSHDSACASA-N 2 1 243.395 1.065 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC ZINC001577089090 993493553 /nfs/dbraw/zinc/49/35/53/993493553.db2.gz JYAITAJTBGUJHC-GRYCIOLGSA-N 2 1 242.363 1.306 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cncc(F)c2)C1 ZINC000383567593 993500428 /nfs/dbraw/zinc/50/04/28/993500428.db2.gz BKEPBYNUNFTUJJ-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000383567593 993500438 /nfs/dbraw/zinc/50/04/38/993500438.db2.gz BKEPBYNUNFTUJJ-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(C)C[NH2+]CCO1)C1CC1 ZINC001577175844 993533214 /nfs/dbraw/zinc/53/32/14/993533214.db2.gz JRUKRYAAGNIKEF-VXGBXAGGSA-N 2 1 212.337 1.143 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000384018754 993533986 /nfs/dbraw/zinc/53/39/86/993533986.db2.gz PLYCDUHNMDRDJI-QWRGUYRKSA-N 2 1 237.347 1.737 20 0 BDADMP CC[C@H]1[C@H](CO)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001577241211 993556650 /nfs/dbraw/zinc/55/66/50/993556650.db2.gz ROFRVTXYAMURML-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)[C@H]1C ZINC001577263202 993569463 /nfs/dbraw/zinc/56/94/63/993569463.db2.gz OGNWVQCGPKHXTE-LOWDOPEQSA-N 2 1 208.349 1.716 20 0 BDADMP CCC[C@@H](CCO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577358451 993614053 /nfs/dbraw/zinc/61/40/53/993614053.db2.gz ZQINEBHHCYAKKT-IUCAKERBSA-N 2 1 242.285 1.407 20 0 BDADMP CCC[C@H](CCO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577358450 993616202 /nfs/dbraw/zinc/61/62/02/993616202.db2.gz ZQINEBHHCYAKKT-DTWKUNHWSA-N 2 1 242.285 1.407 20 0 BDADMP Cn1ccnc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000385260650 993655184 /nfs/dbraw/zinc/65/51/84/993655184.db2.gz VKOMLMSHYPNLDM-UHFFFAOYSA-N 2 1 248.374 1.179 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001577445144 993662112 /nfs/dbraw/zinc/66/21/12/993662112.db2.gz JQPSJWYJVKUXSS-HZSPNIEDSA-N 3 1 241.423 1.824 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001577445144 993662123 /nfs/dbraw/zinc/66/21/23/993662123.db2.gz JQPSJWYJVKUXSS-HZSPNIEDSA-N 3 1 241.423 1.824 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001577510254 993676866 /nfs/dbraw/zinc/67/68/66/993676866.db2.gz HKULHHNMDDQFAJ-WOPDTQHZSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@H+]1CC[C@@H](NCC(C)(C)C[NH3+])C1 ZINC001577533754 993682227 /nfs/dbraw/zinc/68/22/27/993682227.db2.gz JOEAIRCYRQSSGF-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC[C@H]([NH3+])CC(F)F ZINC001577536526 993679854 /nfs/dbraw/zinc/67/98/54/993679854.db2.gz XWQIXYFXCWJLDA-MNOVXSKESA-N 2 1 249.349 1.433 20 0 BDADMP CCCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c(C)n1 ZINC001577622397 993696997 /nfs/dbraw/zinc/69/69/97/993696997.db2.gz MJQQVLOLIUZUGB-TXEJJXNPSA-N 2 1 222.336 1.181 20 0 BDADMP c1cnc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000389977704 993773219 /nfs/dbraw/zinc/77/32/19/993773219.db2.gz VTPHCDJGWGLRRL-UHFFFAOYSA-N 2 1 246.358 1.236 20 0 BDADMP COC(=O)CCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000390524022 993796145 /nfs/dbraw/zinc/79/61/45/993796145.db2.gz ICCRMQVBOKNKDC-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000393219473 993913467 /nfs/dbraw/zinc/91/34/67/993913467.db2.gz SSDZUVOLGZGEGB-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP Cc1nc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c[nH]1 ZINC000724778383 994075225 /nfs/dbraw/zinc/07/52/25/994075225.db2.gz WPPSQWKBLYRAAD-OLZOCXBDSA-N 2 1 234.347 1.387 20 0 BDADMP Cc1ncc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH]1 ZINC000724778383 994075239 /nfs/dbraw/zinc/07/52/39/994075239.db2.gz WPPSQWKBLYRAAD-OLZOCXBDSA-N 2 1 234.347 1.387 20 0 BDADMP Cc1ncc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[nH]1 ZINC000724778383 994075246 /nfs/dbraw/zinc/07/52/46/994075246.db2.gz WPPSQWKBLYRAAD-OLZOCXBDSA-N 2 1 234.347 1.387 20 0 BDADMP CC[N@@H+](C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001282477034 994241246 /nfs/dbraw/zinc/24/12/46/994241246.db2.gz FEFQOJDSYNVUSH-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307989848 995521370 /nfs/dbraw/zinc/52/13/70/995521370.db2.gz VLCFXRWZLTUUQN-DGAVXFQQSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307989848 995521382 /nfs/dbraw/zinc/52/13/82/995521382.db2.gz VLCFXRWZLTUUQN-DGAVXFQQSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307989848 995521391 /nfs/dbraw/zinc/52/13/91/995521391.db2.gz VLCFXRWZLTUUQN-DGAVXFQQSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040230 995530840 /nfs/dbraw/zinc/53/08/40/995530840.db2.gz KLOLVBQWNACVRO-AVGNSLFASA-N 2 1 249.358 1.361 20 0 BDADMP CCC(CC)(CC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310397216 168318068 /nfs/dbraw/zinc/31/80/68/168318068.db2.gz MFXSRDYPEVIERN-ZDUSSCGKSA-N 2 1 242.407 2.000 20 0 BDADMP CCC(CC)(CC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310397216 168318070 /nfs/dbraw/zinc/31/80/70/168318070.db2.gz MFXSRDYPEVIERN-ZDUSSCGKSA-N 2 1 242.407 2.000 20 0 BDADMP COCC[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000070945380 398142461 /nfs/dbraw/zinc/14/24/61/398142461.db2.gz DEHHLARWGKAWJR-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP COCC[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000070945380 398142463 /nfs/dbraw/zinc/14/24/63/398142463.db2.gz DEHHLARWGKAWJR-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000161712472 349489578 /nfs/dbraw/zinc/48/95/78/349489578.db2.gz WGUUDUGLNSJTBR-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000161712472 349489582 /nfs/dbraw/zinc/48/95/82/349489582.db2.gz WGUUDUGLNSJTBR-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCOCC3)CC[N@H+]2C1 ZINC000157464999 136213785 /nfs/dbraw/zinc/21/37/85/136213785.db2.gz KVJXTTURKVJTNR-HZSPNIEDSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)O1 ZINC000379805619 398168273 /nfs/dbraw/zinc/16/82/73/398168273.db2.gz NXRNJNKXZXYOLY-RQJABVFESA-N 2 1 238.375 1.615 20 0 BDADMP C[N@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746510 398168493 /nfs/dbraw/zinc/16/84/93/398168493.db2.gz CJVNPIWMAZCDBJ-PBWFPOADSA-N 2 1 231.343 1.796 20 0 BDADMP C[N@@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746510 398168495 /nfs/dbraw/zinc/16/84/95/398168495.db2.gz CJVNPIWMAZCDBJ-PBWFPOADSA-N 2 1 231.343 1.796 20 0 BDADMP C[C@H]1C[N@H+](CCC[NH2+]CC2(F)CC2)CCCO1 ZINC000527528602 398171178 /nfs/dbraw/zinc/17/11/78/398171178.db2.gz DWMVVWNWDFYEPU-LBPRGKRZSA-N 2 1 244.354 1.579 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH2+]CC2(F)CC2)CCCO1 ZINC000527528602 398171180 /nfs/dbraw/zinc/17/11/80/398171180.db2.gz DWMVVWNWDFYEPU-LBPRGKRZSA-N 2 1 244.354 1.579 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000422944066 398160222 /nfs/dbraw/zinc/16/02/22/398160222.db2.gz RKVXBKUNNZGNCA-OLZOCXBDSA-N 2 1 238.306 1.674 20 0 BDADMP CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422976750 398161036 /nfs/dbraw/zinc/16/10/36/398161036.db2.gz IXLINWAGASNMSG-WHOHXGKFSA-N 2 1 246.420 1.219 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1C ZINC000396714363 398166998 /nfs/dbraw/zinc/16/69/98/398166998.db2.gz QPOQORHKYYHOGG-RVMXOQNASA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1C ZINC000396714368 398167271 /nfs/dbraw/zinc/16/72/71/398167271.db2.gz QPOQORHKYYHOGG-XQHKEYJVSA-N 2 1 225.380 1.199 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](O)C1CC1 ZINC000162562017 538923591 /nfs/dbraw/zinc/92/35/91/538923591.db2.gz YFMNHFXIYORCQM-OLZOCXBDSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H](O)C1CC1 ZINC000162562017 538923592 /nfs/dbraw/zinc/92/35/92/538923592.db2.gz YFMNHFXIYORCQM-OLZOCXBDSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H](O)C1CC1 ZINC000162562017 538923593 /nfs/dbraw/zinc/92/35/93/538923593.db2.gz YFMNHFXIYORCQM-OLZOCXBDSA-N 2 1 226.364 1.173 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000385933157 398192527 /nfs/dbraw/zinc/19/25/27/398192527.db2.gz DPCUZQVFEXMHOP-ZNMIVQPWSA-N 2 1 246.354 1.525 20 0 BDADMP Cc1cc(N2CCC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000053663189 178116483 /nfs/dbraw/zinc/11/64/83/178116483.db2.gz YERDKUJRTLQARQ-JTQLQIEISA-N 2 1 206.293 1.021 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000336750798 398202570 /nfs/dbraw/zinc/20/25/70/398202570.db2.gz ZVMNIFBXRFQKPQ-UMSGYPCISA-N 2 1 228.380 1.730 20 0 BDADMP COCC[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164693108 398202624 /nfs/dbraw/zinc/20/26/24/398202624.db2.gz JIFBDKNHFKXVIN-LBPRGKRZSA-N 2 1 239.363 1.986 20 0 BDADMP CC(C)[N@H+](C)CC1CCN(C[C@H](C)[NH3+])CC1 ZINC000649411825 398213625 /nfs/dbraw/zinc/21/36/25/398213625.db2.gz HWZADKRPULUHIY-LBPRGKRZSA-N 2 1 227.396 1.386 20 0 BDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000649411825 398213628 /nfs/dbraw/zinc/21/36/28/398213628.db2.gz HWZADKRPULUHIY-LBPRGKRZSA-N 3 1 227.396 1.386 20 0 BDADMP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000649411825 398213631 /nfs/dbraw/zinc/21/36/31/398213631.db2.gz HWZADKRPULUHIY-LBPRGKRZSA-N 3 1 227.396 1.386 20 0 BDADMP C[C@@H](c1ccncc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000649415996 398215922 /nfs/dbraw/zinc/21/59/22/398215922.db2.gz GWLMPQVOJYUEGB-NSHDSACASA-N 2 1 219.332 1.956 20 0 BDADMP C[C@H](c1cccnc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000649415975 398216290 /nfs/dbraw/zinc/21/62/90/398216290.db2.gz FPEDUBWENZOQGO-LLVKDONJSA-N 2 1 219.332 1.956 20 0 BDADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000649414342 398212701 /nfs/dbraw/zinc/21/27/01/398212701.db2.gz UIUCTOAAUVBHHG-JSGCOSHPSA-N 2 1 248.374 1.475 20 0 BDADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000649414141 398213278 /nfs/dbraw/zinc/21/32/78/398213278.db2.gz IZDUUNLIEOIFSB-GFCCVEGCSA-N 2 1 222.336 1.214 20 0 BDADMP Cc1cc(NC[C@@]2(C)CCC[NH2+]C2)nc(C)[nH+]1 ZINC000129389625 178167195 /nfs/dbraw/zinc/16/71/95/178167195.db2.gz TYGMAHKTNQJAPR-ZDUSSCGKSA-N 2 1 234.347 1.895 20 0 BDADMP Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000044537570 178168690 /nfs/dbraw/zinc/16/86/90/178168690.db2.gz GCCQOENIACIPHX-GFCCVEGCSA-N 2 1 234.347 1.847 20 0 BDADMP Cc1cc(NC[C@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000044537570 178168692 /nfs/dbraw/zinc/16/86/92/178168692.db2.gz GCCQOENIACIPHX-GFCCVEGCSA-N 2 1 234.347 1.847 20 0 BDADMP Cc1cc(N[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000045955235 178188464 /nfs/dbraw/zinc/18/84/64/178188464.db2.gz WGJVKRPNPDCNII-JTQLQIEISA-N 2 1 206.293 1.257 20 0 BDADMP Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)cc[nH+]1 ZINC000274938810 178178724 /nfs/dbraw/zinc/17/87/24/178178724.db2.gz SMZCEFNNCISDJS-ZDUSSCGKSA-N 2 1 248.374 1.438 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](OC(F)F)C1 ZINC000558864409 398229678 /nfs/dbraw/zinc/22/96/78/398229678.db2.gz SPIZKBWHENGKKB-MNOVXSKESA-N 2 1 248.317 1.784 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](OC(F)F)C1 ZINC000558864409 398229681 /nfs/dbraw/zinc/22/96/81/398229681.db2.gz SPIZKBWHENGKKB-MNOVXSKESA-N 2 1 248.317 1.784 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864409 398229683 /nfs/dbraw/zinc/22/96/83/398229683.db2.gz SPIZKBWHENGKKB-MNOVXSKESA-N 2 1 248.317 1.784 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558864409 398229685 /nfs/dbraw/zinc/22/96/85/398229685.db2.gz SPIZKBWHENGKKB-MNOVXSKESA-N 2 1 248.317 1.784 20 0 BDADMP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430764837 398230817 /nfs/dbraw/zinc/23/08/17/398230817.db2.gz UDIVDUDBZVDEGY-TUAOUCFPSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000092633598 398235714 /nfs/dbraw/zinc/23/57/14/398235714.db2.gz HXYUOFYHKYPEHS-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000379912568 365641188 /nfs/dbraw/zinc/64/11/88/365641188.db2.gz NTMQMCVTNHJNIH-GHMZBOCLSA-N 2 1 214.353 1.077 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000386700386 398266036 /nfs/dbraw/zinc/26/60/36/398266036.db2.gz QIQOILHSNHJIDY-CYZMBNFOSA-N 2 1 247.342 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000386700386 398266039 /nfs/dbraw/zinc/26/60/39/398266039.db2.gz QIQOILHSNHJIDY-CYZMBNFOSA-N 2 1 247.342 1.259 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(CC(F)F)CC[C@@H]21 ZINC000178639824 538953668 /nfs/dbraw/zinc/95/36/68/538953668.db2.gz PPOKXJKJBGUYBB-UWVGGRQHSA-N 2 1 218.291 1.668 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCSC1 ZINC000166561305 361851817 /nfs/dbraw/zinc/85/18/17/361851817.db2.gz CWVXEXUWRWFVEP-LLVKDONJSA-N 2 1 216.394 1.812 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000037266964 538962181 /nfs/dbraw/zinc/96/21/81/538962181.db2.gz VRFDNWWGZYFVEH-GFCCVEGCSA-N 3 1 239.407 1.401 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000335613721 136237682 /nfs/dbraw/zinc/23/76/82/136237682.db2.gz VUTVNJSYMWDRAF-VXGBXAGGSA-N 2 1 222.336 1.468 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000381746598 539006535 /nfs/dbraw/zinc/00/65/35/539006535.db2.gz QEDYHUPBUIEGOW-JTQLQIEISA-N 2 1 224.352 1.711 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000381110557 538994926 /nfs/dbraw/zinc/99/49/26/538994926.db2.gz ZVCBTBZFFFNDQF-GFCCVEGCSA-N 2 1 228.380 1.590 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000382493188 361950766 /nfs/dbraw/zinc/95/07/66/361950766.db2.gz OCNXGWYRISNXKY-IHRRRGAJSA-N 2 1 238.375 1.616 20 0 BDADMP C[N@@H+](CCC[NH3+])CC[C@@H]1CCCCO1 ZINC000382082874 398304793 /nfs/dbraw/zinc/30/47/93/398304793.db2.gz QNZCQNVNSSNSBC-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000309779310 342895760 /nfs/dbraw/zinc/89/57/60/342895760.db2.gz MMVASZNSTJYOQI-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000352608456 398322326 /nfs/dbraw/zinc/32/23/26/398322326.db2.gz LGRVGXLCCYXJOZ-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccnn1C ZINC000192244961 136250721 /nfs/dbraw/zinc/25/07/21/136250721.db2.gz NYMQBKNLJHALBC-LLVKDONJSA-N 2 1 238.379 1.659 20 0 BDADMP C[C@@H](F)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000351730527 136250809 /nfs/dbraw/zinc/25/08/09/136250809.db2.gz PHZSIZRRVQMGPU-CYBMUJFWSA-N 2 1 245.386 1.304 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000602718327 349686919 /nfs/dbraw/zinc/68/69/19/349686919.db2.gz VPZIVCVTHGFNGK-YFKTTZPYSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000602718327 349686921 /nfs/dbraw/zinc/68/69/21/349686921.db2.gz VPZIVCVTHGFNGK-YFKTTZPYSA-N 2 1 240.347 1.010 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)[C@H](C)C1 ZINC000167485877 136258280 /nfs/dbraw/zinc/25/82/80/136258280.db2.gz LGAAQKHEHAOQOK-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000126290394 259338434 /nfs/dbraw/zinc/33/84/34/259338434.db2.gz PRCJHYAIXOXQMB-RWMBFGLXSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccccc2C1 ZINC000235102277 259341798 /nfs/dbraw/zinc/34/17/98/259341798.db2.gz CEMVDEKLDYZDKI-GWCFXTLKSA-N 2 1 204.317 1.481 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOCC(F)F ZINC000235394870 343011633 /nfs/dbraw/zinc/01/16/33/343011633.db2.gz HHJNQGAMNGGOTF-BDAKNGLRSA-N 2 1 222.279 1.080 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOCC(F)F ZINC000235394870 343011635 /nfs/dbraw/zinc/01/16/35/343011635.db2.gz HHJNQGAMNGGOTF-BDAKNGLRSA-N 2 1 222.279 1.080 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCOC1 ZINC000305250994 529620896 /nfs/dbraw/zinc/62/08/96/529620896.db2.gz HLBSECYRTHQGMQ-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235444376 343037311 /nfs/dbraw/zinc/03/73/11/343037311.db2.gz GFYIUXJNJLSTRS-VXGBXAGGSA-N 2 1 222.332 1.942 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(Cl)cnn1C ZINC000576823413 365694599 /nfs/dbraw/zinc/69/45/99/365694599.db2.gz RAZWEJXNZROOPX-JGVFFNPUSA-N 2 1 230.743 1.289 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccncc1 ZINC000576834446 365699276 /nfs/dbraw/zinc/69/92/76/365699276.db2.gz LCCSOBDYMVZVSV-TZMCWYRMSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCCO1 ZINC000042821782 362026802 /nfs/dbraw/zinc/02/68/02/362026802.db2.gz PKPAUSDVZPNXOB-WOPDTQHZSA-N 2 1 212.337 1.367 20 0 BDADMP CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000034321163 343074436 /nfs/dbraw/zinc/07/44/36/343074436.db2.gz LXXPARBRKZRGHB-CQSZACIVSA-N 2 1 234.343 1.185 20 0 BDADMP C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000034321163 343074437 /nfs/dbraw/zinc/07/44/37/343074437.db2.gz LXXPARBRKZRGHB-CQSZACIVSA-N 2 1 234.343 1.185 20 0 BDADMP C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000034321163 343074438 /nfs/dbraw/zinc/07/44/38/343074438.db2.gz LXXPARBRKZRGHB-CQSZACIVSA-N 2 1 234.343 1.185 20 0 BDADMP Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000045955232 187232923 /nfs/dbraw/zinc/23/29/23/187232923.db2.gz WGJVKRPNPDCNII-SNVBAGLBSA-N 2 1 206.293 1.257 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000356670327 187232938 /nfs/dbraw/zinc/23/29/38/187232938.db2.gz FVJKSZYKLOVAGQ-DGAVXFQQSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H]1COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251918587 343125651 /nfs/dbraw/zinc/12/56/51/343125651.db2.gz YIHJQWNZGDKLNT-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H]1COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251918587 343125653 /nfs/dbraw/zinc/12/56/53/343125653.db2.gz YIHJQWNZGDKLNT-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000252448237 343126468 /nfs/dbraw/zinc/12/64/68/343126468.db2.gz UFXDKUDDDMDYPR-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000252448237 343126470 /nfs/dbraw/zinc/12/64/70/343126470.db2.gz UFXDKUDDDMDYPR-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000050596135 343177424 /nfs/dbraw/zinc/17/74/24/343177424.db2.gz SHMXUTAXYLZEBT-CYBMUJFWSA-N 2 1 235.375 1.845 20 0 BDADMP CCn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130908926 343182023 /nfs/dbraw/zinc/18/20/23/343182023.db2.gz YKNLSSYEXKWTAE-XQQFMLRXSA-N 2 1 248.374 1.462 20 0 BDADMP CCn1ccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130908926 343182026 /nfs/dbraw/zinc/18/20/26/343182026.db2.gz YKNLSSYEXKWTAE-XQQFMLRXSA-N 2 1 248.374 1.462 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCOC1(C)C ZINC000294525708 187241668 /nfs/dbraw/zinc/24/16/68/187241668.db2.gz ZNERZHPBQFEUOA-LLVKDONJSA-N 2 1 223.320 1.120 20 0 BDADMP COC[C@H](C)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000163553010 343206695 /nfs/dbraw/zinc/20/66/95/343206695.db2.gz AKTLJMIKFZKEHB-NEPJUHHUSA-N 2 1 216.369 1.574 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000401776561 343231113 /nfs/dbraw/zinc/23/11/13/343231113.db2.gz NGVHETCXDYQZAI-UHFFFAOYSA-N 2 1 247.346 1.103 20 0 BDADMP C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000217595425 136277988 /nfs/dbraw/zinc/27/79/88/136277988.db2.gz PHDPZPNPMHNUOS-YRGRVCCFSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000217595425 136277989 /nfs/dbraw/zinc/27/79/89/136277989.db2.gz PHDPZPNPMHNUOS-YRGRVCCFSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)O1 ZINC000634688510 343247945 /nfs/dbraw/zinc/24/79/45/343247945.db2.gz VBFUBPYLCHSQQP-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP COC1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000335638446 136302796 /nfs/dbraw/zinc/30/27/96/136302796.db2.gz REYIEJSQVIRIMD-WTIISPKJSA-N 2 1 226.364 1.532 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCn2cc(C)cn2)C1 ZINC000310243718 343400589 /nfs/dbraw/zinc/40/05/89/343400589.db2.gz USAZFXDJHBXAJD-ZDUSSCGKSA-N 2 1 236.363 1.123 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCOC1 ZINC000349361562 136343357 /nfs/dbraw/zinc/34/33/57/136343357.db2.gz BOCZNQYMOPFISY-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CC[C@@H]([NH3+])c1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641156742 362241429 /nfs/dbraw/zinc/24/14/29/362241429.db2.gz VRJOXYMEYOGXPN-SECBINFHSA-N 2 1 234.307 1.076 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000353969706 136357136 /nfs/dbraw/zinc/35/71/36/136357136.db2.gz CFCYDHFKFHPFDI-REWJHTLYSA-N 2 1 240.391 1.589 20 0 BDADMP CO[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000167126482 136368336 /nfs/dbraw/zinc/36/83/36/136368336.db2.gz ZBHIFHPBGWIZFP-AXFHLTTASA-N 2 1 200.326 1.094 20 0 BDADMP C[C@@H]1CCCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351605141 136369726 /nfs/dbraw/zinc/36/97/26/136369726.db2.gz NHVUNVRJRPTUPA-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351605141 136369727 /nfs/dbraw/zinc/36/97/27/136369727.db2.gz NHVUNVRJRPTUPA-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351605141 136369728 /nfs/dbraw/zinc/36/97/28/136369728.db2.gz NHVUNVRJRPTUPA-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351605141 136369729 /nfs/dbraw/zinc/36/97/29/136369729.db2.gz NHVUNVRJRPTUPA-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247977545 136373452 /nfs/dbraw/zinc/37/34/52/136373452.db2.gz HZDYTZCEUBXQIZ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247977545 136373453 /nfs/dbraw/zinc/37/34/53/136373453.db2.gz HZDYTZCEUBXQIZ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247977545 136373454 /nfs/dbraw/zinc/37/34/54/136373454.db2.gz HZDYTZCEUBXQIZ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261542347 136374375 /nfs/dbraw/zinc/37/43/75/136374375.db2.gz GSWVJVZDUFGBSN-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H](O)C[N@@H+](CCC[NH3+])C1CCCCC1 ZINC000083676397 343495596 /nfs/dbraw/zinc/49/55/96/343495596.db2.gz RKZWFTZBGGQNCW-NSHDSACASA-N 2 1 214.353 1.351 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000310563683 343537836 /nfs/dbraw/zinc/53/78/36/343537836.db2.gz WPLHPBDRFVTCAR-STQMWFEESA-N 2 1 246.395 1.046 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000044500606 343504305 /nfs/dbraw/zinc/50/43/05/343504305.db2.gz JGYSYZXSKHNGMC-MNOVXSKESA-N 2 1 224.352 1.411 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000379584274 343577837 /nfs/dbraw/zinc/57/78/37/343577837.db2.gz ULUYCBHBOAMSCN-ZDUSSCGKSA-N 2 1 238.375 1.653 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@H](C)C1 ZINC000624257621 343619771 /nfs/dbraw/zinc/61/97/71/343619771.db2.gz KMIKIVDLTZEVCS-YPMHNXCESA-N 2 1 249.358 1.607 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000309032647 346955993 /nfs/dbraw/zinc/95/59/93/346955993.db2.gz FUYUXXYBFRUKMH-RYUDHWBXSA-N 2 1 228.405 1.954 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000309343789 343718324 /nfs/dbraw/zinc/71/83/24/343718324.db2.gz LFHVMFYBHNJUSH-LBPRGKRZSA-N 3 1 227.396 1.578 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC1(C)C)C1CC1 ZINC000381033868 343778502 /nfs/dbraw/zinc/77/85/02/343778502.db2.gz DVFHXIMUXRJKDQ-JQWIXIFHSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC1(C)C)C1CC1 ZINC000381033868 343778503 /nfs/dbraw/zinc/77/85/03/343778503.db2.gz DVFHXIMUXRJKDQ-JQWIXIFHSA-N 2 1 226.364 1.077 20 0 BDADMP [NH3+][C@H](c1nc(C2([NH3+])CCCC2)no1)C1CCC1 ZINC000584112737 343759516 /nfs/dbraw/zinc/75/95/16/343759516.db2.gz GUDBYCYGYNNIJR-VIFPVBQESA-N 2 1 236.319 1.598 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000187879695 259370556 /nfs/dbraw/zinc/37/05/56/259370556.db2.gz QKULVUDYRQDTFB-VOAKCMCISA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000187879695 259370557 /nfs/dbraw/zinc/37/05/57/259370557.db2.gz QKULVUDYRQDTFB-VOAKCMCISA-N 2 1 226.364 1.362 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000234874644 187272423 /nfs/dbraw/zinc/27/24/23/187272423.db2.gz IESQWDMCECTZQC-OCCSQVGLSA-N 2 1 248.370 1.968 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000063001636 187273546 /nfs/dbraw/zinc/27/35/46/187273546.db2.gz QNMYNYJXPJPPTO-AWEZNQCLSA-N 2 1 245.326 1.515 20 0 BDADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336699166 537827618 /nfs/dbraw/zinc/82/76/18/537827618.db2.gz ZSVLZBMRXOLZHG-XQQFMLRXSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336699166 537827625 /nfs/dbraw/zinc/82/76/25/537827625.db2.gz ZSVLZBMRXOLZHG-XQQFMLRXSA-N 2 1 226.364 1.077 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428076 187354552 /nfs/dbraw/zinc/35/45/52/187354552.db2.gz RXNPTMKGQXEAGH-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CCO[C@H]2CCC[C@H]21)C1CC[NH2+]CC1 ZINC000043425691 187354590 /nfs/dbraw/zinc/35/45/90/187354590.db2.gz RDXMTKJGSMBUBN-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000621785041 343908306 /nfs/dbraw/zinc/90/83/06/343908306.db2.gz YCGDLSLHVNDTDB-NDKCEZKHSA-N 2 1 220.360 1.846 20 0 BDADMP CCC[C@H]([NH3+])c1cn(CCc2c[nH+]cn2C)nn1 ZINC000641175457 362252795 /nfs/dbraw/zinc/25/27/95/362252795.db2.gz SHVDAQCWEBNYSS-NSHDSACASA-N 2 1 248.334 1.054 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@@H]([NH3+])C(C)(C)C)n1 ZINC000570717997 323068346 /nfs/dbraw/zinc/06/83/46/323068346.db2.gz KGJSGMOPODCQSH-IONNQARKSA-N 2 1 226.324 1.266 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000215652961 349905721 /nfs/dbraw/zinc/90/57/21/349905721.db2.gz OXQRXLJMQJTJMO-ZWNOBZJWSA-N 2 1 222.307 1.881 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000093210547 344312124 /nfs/dbraw/zinc/31/21/24/344312124.db2.gz HQHPCNWMXYSCBI-WDEREUQCSA-N 2 1 245.330 1.089 20 0 BDADMP C[NH2+]CCC[N@H+]1CCSC(C)(C)C1 ZINC000133335469 344315546 /nfs/dbraw/zinc/31/55/46/344315546.db2.gz ABWSFNUVXGVEHW-UHFFFAOYSA-N 2 1 202.367 1.423 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccn(C)c2)C1 ZINC000093770231 344322206 /nfs/dbraw/zinc/32/22/06/344322206.db2.gz INLGRPWUHUBNLQ-AWEZNQCLSA-N 2 1 235.375 1.799 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000093770231 344322209 /nfs/dbraw/zinc/32/22/09/344322209.db2.gz INLGRPWUHUBNLQ-AWEZNQCLSA-N 2 1 235.375 1.799 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000093770231 344322212 /nfs/dbraw/zinc/32/22/12/344322212.db2.gz INLGRPWUHUBNLQ-AWEZNQCLSA-N 2 1 235.375 1.799 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000093770231 344322213 /nfs/dbraw/zinc/32/22/13/344322213.db2.gz INLGRPWUHUBNLQ-AWEZNQCLSA-N 2 1 235.375 1.799 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000093770231 344322216 /nfs/dbraw/zinc/32/22/16/344322216.db2.gz INLGRPWUHUBNLQ-AWEZNQCLSA-N 2 1 235.375 1.799 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@H]([NH3+])C[C@H]2C)c1C ZINC000385096423 344323879 /nfs/dbraw/zinc/32/38/79/344323879.db2.gz NYAXGSVTAHUKRN-ZYHUDNBSSA-N 2 1 249.358 1.629 20 0 BDADMP COC(=O)CCCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000600700918 344359588 /nfs/dbraw/zinc/35/95/88/344359588.db2.gz FRILPFAZQGMAIN-NSHDSACASA-N 2 1 228.336 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000600700918 344359591 /nfs/dbraw/zinc/35/95/91/344359591.db2.gz FRILPFAZQGMAIN-NSHDSACASA-N 2 1 228.336 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000600708209 344360617 /nfs/dbraw/zinc/36/06/17/344360617.db2.gz DOAJRFRZNZYDBU-NWDGAFQWSA-N 2 1 242.363 1.246 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCC(=O)OC)CC[C@H]1[NH3+] ZINC000600709270 344361090 /nfs/dbraw/zinc/36/10/90/344361090.db2.gz IBDBCZHFLRJOPW-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000092629234 344299934 /nfs/dbraw/zinc/29/99/34/344299934.db2.gz KKNUVNWJHGQVAP-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@@H+]1C ZINC000092629234 344299938 /nfs/dbraw/zinc/29/99/38/344299938.db2.gz KKNUVNWJHGQVAP-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@H+]1C ZINC000092629234 344299940 /nfs/dbraw/zinc/29/99/40/344299940.db2.gz KKNUVNWJHGQVAP-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP [NH3+]CC[C@@H]1CCCCN1c1[nH+]cnc2[nH]ccc21 ZINC000634809024 344393847 /nfs/dbraw/zinc/39/38/47/344393847.db2.gz IWDORRHICYDSNG-JTQLQIEISA-N 2 1 245.330 1.666 20 0 BDADMP c1cc2c(nc[nH+]c2NCCC[NH2+]C2CC2)[nH]1 ZINC000634811806 344396489 /nfs/dbraw/zinc/39/64/89/344396489.db2.gz QWACYKNXPFULKU-UHFFFAOYSA-N 2 1 231.303 1.464 20 0 BDADMP Cc1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)nc(C)[nH+]1 ZINC000634813069 344397642 /nfs/dbraw/zinc/39/76/42/344397642.db2.gz YJGQXJDGQXQPQZ-QWHCGFSZSA-N 2 1 246.358 1.672 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)(C)C ZINC000380971622 344462512 /nfs/dbraw/zinc/46/25/12/344462512.db2.gz AQRNUSYIZXOSAP-VXGBXAGGSA-N 2 1 230.396 1.665 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)(C)C ZINC000380971622 344462514 /nfs/dbraw/zinc/46/25/14/344462514.db2.gz AQRNUSYIZXOSAP-VXGBXAGGSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000380971622 344462517 /nfs/dbraw/zinc/46/25/17/344462517.db2.gz AQRNUSYIZXOSAP-VXGBXAGGSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000380971622 344462518 /nfs/dbraw/zinc/46/25/18/344462518.db2.gz AQRNUSYIZXOSAP-VXGBXAGGSA-N 2 1 230.396 1.665 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CCCC[NH+](C)C ZINC000045598251 344573169 /nfs/dbraw/zinc/57/31/69/344573169.db2.gz HVTBVFVGCPIEKJ-UHFFFAOYSA-N 2 1 210.325 1.150 20 0 BDADMP CC(C)[C@H]1CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309421810 347059051 /nfs/dbraw/zinc/05/90/51/347059051.db2.gz ZUFBWMVIUIFAQB-CHWSQXEVSA-N 2 1 221.348 1.987 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158591839 344689388 /nfs/dbraw/zinc/68/93/88/344689388.db2.gz UXQJLXYQKHBJLG-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)no1 ZINC000158664520 344712561 /nfs/dbraw/zinc/71/25/61/344712561.db2.gz MARDXCAHCNTGLO-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](CCCF)CC1 ZINC000626069991 344714766 /nfs/dbraw/zinc/71/47/66/344714766.db2.gz UPTPOQXCKYBFQQ-CYBMUJFWSA-N 2 1 243.370 1.058 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000300408974 530058055 /nfs/dbraw/zinc/05/80/55/530058055.db2.gz WMABSQNIQCQQLA-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408974 530058056 /nfs/dbraw/zinc/05/80/56/530058056.db2.gz WMABSQNIQCQQLA-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408974 530058057 /nfs/dbraw/zinc/05/80/57/530058057.db2.gz WMABSQNIQCQQLA-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408974 530058058 /nfs/dbraw/zinc/05/80/58/530058058.db2.gz WMABSQNIQCQQLA-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408974 530058059 /nfs/dbraw/zinc/05/80/59/530058059.db2.gz WMABSQNIQCQQLA-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000133274898 537859757 /nfs/dbraw/zinc/85/97/57/537859757.db2.gz TVKWIFDEXQEYBY-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@H+]1CCC[C@@H](CNc2ccccn2)C1 ZINC000044537714 187292798 /nfs/dbraw/zinc/29/27/98/187292798.db2.gz IHKLKHWAVJHDDM-NSHDSACASA-N 2 1 205.305 1.835 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000050403598 344818034 /nfs/dbraw/zinc/81/80/34/344818034.db2.gz LELKNFUWQFFUAA-MNOVXSKESA-N 2 1 202.342 1.077 20 0 BDADMP CCCC[N@@H+](C)CCNc1ccnc(C)n1 ZINC000078252147 344837507 /nfs/dbraw/zinc/83/75/07/344837507.db2.gz SOGVCHMFRZFBHP-UHFFFAOYSA-N 2 1 222.336 1.929 20 0 BDADMP COCC(COC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000387562536 344888548 /nfs/dbraw/zinc/88/85/48/344888548.db2.gz YHEUIXJSAZCEAL-UHFFFAOYSA-N 2 1 244.379 1.110 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000300231225 187297587 /nfs/dbraw/zinc/29/75/87/187297587.db2.gz GOMXQUDRBACKBA-QJPTWQEYSA-N 2 1 226.389 1.423 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156065076 345122700 /nfs/dbraw/zinc/12/27/00/345122700.db2.gz DOOALPWVSSBPNZ-MGPQQGTHSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156065076 345122702 /nfs/dbraw/zinc/12/27/02/345122702.db2.gz DOOALPWVSSBPNZ-MGPQQGTHSA-N 3 1 239.407 1.543 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156065076 345122703 /nfs/dbraw/zinc/12/27/03/345122703.db2.gz DOOALPWVSSBPNZ-MGPQQGTHSA-N 3 1 239.407 1.543 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000634996664 345191220 /nfs/dbraw/zinc/19/12/20/345191220.db2.gz QHRQMASDEAWYNQ-XQQFMLRXSA-N 3 1 227.396 1.134 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000634996664 345191223 /nfs/dbraw/zinc/19/12/23/345191223.db2.gz QHRQMASDEAWYNQ-XQQFMLRXSA-N 3 1 227.396 1.134 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC000634991044 345174008 /nfs/dbraw/zinc/17/40/08/345174008.db2.gz NXWSPEQWVHFPEK-CHWSQXEVSA-N 3 1 227.396 1.149 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC000634991044 345174010 /nfs/dbraw/zinc/17/40/10/345174010.db2.gz NXWSPEQWVHFPEK-CHWSQXEVSA-N 3 1 227.396 1.149 20 0 BDADMP C([N@@H+]1C[C@@H]2CCCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996781 345181299 /nfs/dbraw/zinc/18/12/99/345181299.db2.gz VGCNMJBPDLSNLS-AKJUYKBHSA-N 2 1 220.360 1.860 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000634995625 345185238 /nfs/dbraw/zinc/18/52/38/345185238.db2.gz KWKBMERRGNDNBM-OLZOCXBDSA-N 3 1 227.396 1.197 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996447 345187886 /nfs/dbraw/zinc/18/78/86/345187886.db2.gz KAWQYDROTMZEGM-LKSINWNRSA-N 2 1 231.343 1.354 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)O1 ZINC000235347230 537890631 /nfs/dbraw/zinc/89/06/31/537890631.db2.gz BEKQYVJLHIGCSH-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP COCc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000634999509 345200256 /nfs/dbraw/zinc/20/02/56/345200256.db2.gz VPFLZGYKTDLLKJ-WDEREUQCSA-N 2 1 238.331 1.453 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000635004288 345207619 /nfs/dbraw/zinc/20/76/19/345207619.db2.gz NXZMJUYKXSSPIN-QWRGUYRKSA-N 2 1 237.347 1.696 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCCN1 ZINC000635005874 345209835 /nfs/dbraw/zinc/20/98/35/345209835.db2.gz PSVDRQRLRNHGAG-SYQHCUMBSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+](C)C ZINC000635255061 345288641 /nfs/dbraw/zinc/28/86/41/345288641.db2.gz KTYACGLGYMMFHW-LLVKDONJSA-N 2 1 243.395 1.031 20 0 BDADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000300837279 187302227 /nfs/dbraw/zinc/30/22/27/187302227.db2.gz CTLKADREZREWTE-UPJWGTAASA-N 2 1 210.365 1.820 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000158684912 345363267 /nfs/dbraw/zinc/36/32/67/345363267.db2.gz HPPXMLGVMLDJHV-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP COCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158906191 345389388 /nfs/dbraw/zinc/38/93/88/345389388.db2.gz CDLYIXOXIZCYQS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158906191 345389391 /nfs/dbraw/zinc/38/93/91/345389391.db2.gz CDLYIXOXIZCYQS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158906191 345389395 /nfs/dbraw/zinc/38/93/95/345389395.db2.gz CDLYIXOXIZCYQS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H](CCNC(N)=[NH2+])[N@@H+](C)Cc1ccccc1 ZINC000081781045 345492170 /nfs/dbraw/zinc/49/21/70/345492170.db2.gz DKOMZKDJPPQAOU-LLVKDONJSA-N 2 1 234.347 1.380 20 0 BDADMP CC1(C)OCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335919879 187304643 /nfs/dbraw/zinc/30/46/43/187304643.db2.gz WNLFXRNVIKXYKL-ZDUSSCGKSA-N 2 1 238.375 1.770 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221677874 323090949 /nfs/dbraw/zinc/09/09/49/323090949.db2.gz KFMASHHLPACFIR-OUAUKWLOSA-N 2 1 200.326 1.094 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221677874 323090950 /nfs/dbraw/zinc/09/09/50/323090950.db2.gz KFMASHHLPACFIR-OUAUKWLOSA-N 2 1 200.326 1.094 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139761 345640209 /nfs/dbraw/zinc/64/02/09/345640209.db2.gz YBJQLDFDLKSSIG-BFHYXJOUSA-N 2 1 249.358 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139761 345640211 /nfs/dbraw/zinc/64/02/11/345640211.db2.gz YBJQLDFDLKSSIG-BFHYXJOUSA-N 2 1 249.358 1.427 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000214121085 345741011 /nfs/dbraw/zinc/74/10/11/345741011.db2.gz ZJKQFXOQAWCRJJ-QMTHXVAHSA-N 2 1 249.358 1.568 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159988804 345772683 /nfs/dbraw/zinc/77/26/83/345772683.db2.gz DBIFVIOGBOMAEP-XQQFMLRXSA-N 2 1 226.364 1.364 20 0 BDADMP Cc1nccc(NC[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000054936082 345785073 /nfs/dbraw/zinc/78/50/73/345785073.db2.gz VZNPKOOAYPXYRL-LBPRGKRZSA-N 2 1 234.347 1.927 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[NH2+]CC1 ZINC000168748157 535010848 /nfs/dbraw/zinc/01/08/48/535010848.db2.gz PFHUKGXSTJQILD-LBPRGKRZSA-N 2 1 213.369 1.058 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000335448384 187311148 /nfs/dbraw/zinc/31/11/48/187311148.db2.gz PBHGRLNSBWUQQJ-RYUDHWBXSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000093651379 187360908 /nfs/dbraw/zinc/36/09/08/187360908.db2.gz CIZQNIOTOKCUPD-PWSUYJOCSA-N 2 1 236.363 1.288 20 0 BDADMP CC[NH+](CC)CCCNc1cc(N)[nH+]cn1 ZINC000087808209 345942239 /nfs/dbraw/zinc/94/22/39/345942239.db2.gz YACSQPXXLYXJHF-UHFFFAOYSA-N 2 1 223.324 1.203 20 0 BDADMP CC[NH+](CC)CCCNc1cc(N)nc[nH+]1 ZINC000087808209 345942242 /nfs/dbraw/zinc/94/22/42/345942242.db2.gz YACSQPXXLYXJHF-UHFFFAOYSA-N 2 1 223.324 1.203 20 0 BDADMP C[N@@H+](CCCC[NH2+]Cc1ccc(=O)[nH]c1)C1CC1 ZINC000631156227 346272182 /nfs/dbraw/zinc/27/21/82/346272182.db2.gz YBOPFLLECCPXOA-UHFFFAOYSA-N 2 1 249.358 1.751 20 0 BDADMP Cc1nc(CN(C)CC[N@@H+](C)C2CC2)[nH]c1C ZINC000628280205 346290941 /nfs/dbraw/zinc/29/09/41/346290941.db2.gz WACQKJDUEODZAZ-UHFFFAOYSA-N 2 1 236.363 1.553 20 0 BDADMP Cc1ncc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000628280699 346291620 /nfs/dbraw/zinc/29/16/20/346291620.db2.gz CQPFNVPLFQEDOO-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000628280699 346291623 /nfs/dbraw/zinc/29/16/23/346291623.db2.gz CQPFNVPLFQEDOO-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000628280699 346291627 /nfs/dbraw/zinc/29/16/27/346291627.db2.gz CQPFNVPLFQEDOO-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000628280699 346291631 /nfs/dbraw/zinc/29/16/31/346291631.db2.gz CQPFNVPLFQEDOO-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000628280699 346291636 /nfs/dbraw/zinc/29/16/36/346291636.db2.gz CQPFNVPLFQEDOO-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381557859 346346570 /nfs/dbraw/zinc/34/65/70/346346570.db2.gz PHGZNWWOVUBMQN-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCO1)CC2 ZINC000336235490 187366300 /nfs/dbraw/zinc/36/63/00/187366300.db2.gz RZWOEAAPNFZCCF-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCO1)CC2 ZINC000336235490 187366302 /nfs/dbraw/zinc/36/63/02/187366302.db2.gz RZWOEAAPNFZCCF-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCCC[C@@H](CNCc2ccncc2N)C1 ZINC000641773639 362712672 /nfs/dbraw/zinc/71/26/72/362712672.db2.gz JQCLABHQMWNVEM-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641773639 362712676 /nfs/dbraw/zinc/71/26/76/362712676.db2.gz JQCLABHQMWNVEM-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641773639 362712680 /nfs/dbraw/zinc/71/26/80/362712680.db2.gz JQCLABHQMWNVEM-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000380187470 346377659 /nfs/dbraw/zinc/37/76/59/346377659.db2.gz GZUOAPPULXCBTK-MNOVXSKESA-N 2 1 207.321 1.741 20 0 BDADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000419200960 192102456 /nfs/dbraw/zinc/10/24/56/192102456.db2.gz FCMFTEBRAKELNH-UONOGXRCSA-N 2 1 242.407 1.931 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)CF)CC1 ZINC000200321549 346421264 /nfs/dbraw/zinc/42/12/64/346421264.db2.gz HLKPQNCSYYJMIP-JTQLQIEISA-N 2 1 202.317 1.807 20 0 BDADMP CCC(C)(C)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805402 362762386 /nfs/dbraw/zinc/76/23/86/362762386.db2.gz NSIMTHYKJOHXFX-ZJUUUORDSA-N 2 1 241.379 1.007 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000641805625 362763075 /nfs/dbraw/zinc/76/30/75/362763075.db2.gz FWSRSSLFMQDKSM-DYEKYZERSA-N 2 1 239.407 1.434 20 0 BDADMP CC1(C)c2ccccc2CC[N@@H+]1CCOCC[NH3+] ZINC000641801558 362755986 /nfs/dbraw/zinc/75/59/86/362755986.db2.gz SJCLBLGOZHRKRG-UHFFFAOYSA-N 2 1 248.370 1.755 20 0 BDADMP Cc1cccc(N2C[C@H](C[NH3+])C[C@@H]2C)[nH+]1 ZINC000127021045 179123782 /nfs/dbraw/zinc/12/37/82/179123782.db2.gz LWAPMWPICMEGSF-QWRGUYRKSA-N 2 1 205.305 1.564 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000352766356 187370660 /nfs/dbraw/zinc/37/06/60/187370660.db2.gz WICHDASYENUEMI-ZDUSSCGKSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@H+](CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000251712624 133646565 /nfs/dbraw/zinc/64/65/65/133646565.db2.gz JMKAUDXXLNLCGM-HTQZYQBOSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@@H]1C[N@@H+](CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000251712624 133646566 /nfs/dbraw/zinc/64/65/66/133646566.db2.gz JMKAUDXXLNLCGM-HTQZYQBOSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000582062274 347160287 /nfs/dbraw/zinc/16/02/87/347160287.db2.gz APPYGLXUGVAWFY-FQUUOJAGSA-N 2 1 238.375 1.485 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333186 347225321 /nfs/dbraw/zinc/22/53/21/347225321.db2.gz CCNZNHYPWJPLMW-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP FC(F)(F)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000250981889 362830474 /nfs/dbraw/zinc/83/04/74/362830474.db2.gz BKYOGNZJTCBOOZ-VHSXEESVSA-N 2 1 236.281 1.870 20 0 BDADMP FC(F)(F)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000250981889 362830481 /nfs/dbraw/zinc/83/04/81/362830481.db2.gz BKYOGNZJTCBOOZ-VHSXEESVSA-N 2 1 236.281 1.870 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])O1 ZINC000149781200 347518266 /nfs/dbraw/zinc/51/82/66/347518266.db2.gz RDGPMMVRCIHPAD-QWRGUYRKSA-N 2 1 214.353 1.471 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000149785189 347518340 /nfs/dbraw/zinc/51/83/40/347518340.db2.gz ZSNLBLXAFQTLQS-QWRGUYRKSA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000149785189 347518343 /nfs/dbraw/zinc/51/83/43/347518343.db2.gz ZSNLBLXAFQTLQS-QWRGUYRKSA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000149784975 347518484 /nfs/dbraw/zinc/51/84/84/347518484.db2.gz ZSNLBLXAFQTLQS-MNOVXSKESA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000149784975 347518485 /nfs/dbraw/zinc/51/84/85/347518485.db2.gz ZSNLBLXAFQTLQS-MNOVXSKESA-N 2 1 200.326 1.095 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@H]1CCCO1 ZINC000252688914 535063834 /nfs/dbraw/zinc/06/38/34/535063834.db2.gz PSOQIHLSVWJVDI-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000252841863 347612050 /nfs/dbraw/zinc/61/20/50/347612050.db2.gz CJBOWHNMVTVDFL-MELADBBJSA-N 2 1 248.374 1.462 20 0 BDADMP Cc1ccccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000039068443 179273117 /nfs/dbraw/zinc/27/31/17/179273117.db2.gz FLLVXFMTORQHFJ-CYBMUJFWSA-N 2 1 204.317 1.918 20 0 BDADMP Cc1ccccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000039068443 179273118 /nfs/dbraw/zinc/27/31/18/179273118.db2.gz FLLVXFMTORQHFJ-CYBMUJFWSA-N 2 1 204.317 1.918 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000305064679 323166967 /nfs/dbraw/zinc/16/69/67/323166967.db2.gz HMNYCHOQBYGULE-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000305064679 323166968 /nfs/dbraw/zinc/16/69/68/323166968.db2.gz HMNYCHOQBYGULE-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305064679 323166969 /nfs/dbraw/zinc/16/69/69/323166969.db2.gz HMNYCHOQBYGULE-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP COC[C@@H](C)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308614366 347915945 /nfs/dbraw/zinc/91/59/45/347915945.db2.gz LYKXJTOTLKLFKI-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@@H+](CCNC(=O)CCCC[NH3+])C1CCCC1 ZINC000070203815 349978181 /nfs/dbraw/zinc/97/81/81/349978181.db2.gz REBFJSWBISMVFT-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CSCCF ZINC000595011948 348160627 /nfs/dbraw/zinc/16/06/27/348160627.db2.gz DHEXLRULLMZNTC-JTQLQIEISA-N 2 1 245.367 1.872 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336556482 179372843 /nfs/dbraw/zinc/37/28/43/179372843.db2.gz CAVXWLPTKPPKRB-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336556482 179372844 /nfs/dbraw/zinc/37/28/44/179372844.db2.gz CAVXWLPTKPPKRB-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cccnc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000336233523 179371469 /nfs/dbraw/zinc/37/14/69/179371469.db2.gz ZSJSFRWLWAULJQ-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP Cc1cccnc1C[N@H+](C)C1CC([NH3+])C1 ZINC000336233523 179371473 /nfs/dbraw/zinc/37/14/73/179371473.db2.gz ZSJSFRWLWAULJQ-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000235786414 179376139 /nfs/dbraw/zinc/37/61/39/179376139.db2.gz KTGGMFQLHCNARZ-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000251509078 362883649 /nfs/dbraw/zinc/88/36/49/362883649.db2.gz IGJHLVAFQFHWMU-XQQFMLRXSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC000251509078 362883656 /nfs/dbraw/zinc/88/36/56/362883656.db2.gz IGJHLVAFQFHWMU-XQQFMLRXSA-N 2 1 226.364 1.757 20 0 BDADMP Cc1cc(N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)nc(C)[nH+]1 ZINC000397479420 362888181 /nfs/dbraw/zinc/88/81/81/362888181.db2.gz KWUIZTZLWLMXKG-GAFUQQFSSA-N 2 1 248.374 1.903 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)O1 ZINC000397477155 362888354 /nfs/dbraw/zinc/88/83/54/362888354.db2.gz IEYINBGWWCEONU-MQLXINIDSA-N 2 1 240.391 1.859 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)CC1(C)C ZINC000623505325 362928677 /nfs/dbraw/zinc/92/86/77/362928677.db2.gz YVUUJRUZDGYRDN-AGIUHOORSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC1(C)C ZINC000628301717 349077157 /nfs/dbraw/zinc/07/71/57/349077157.db2.gz DFKKGWPUQNFCSU-FRRDWIJNSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCOC2)[C@@H](C)C1 ZINC000246840859 349107603 /nfs/dbraw/zinc/10/76/03/349107603.db2.gz CDYZPULUGKVAIJ-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000599292534 349149293 /nfs/dbraw/zinc/14/92/93/349149293.db2.gz GAJLVKKIEDMFPW-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC000250832607 349180253 /nfs/dbraw/zinc/18/02/53/349180253.db2.gz JRPGWWYFXCTSPY-QWHCGFSZSA-N 2 1 238.375 1.508 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000250832607 349180255 /nfs/dbraw/zinc/18/02/55/349180255.db2.gz JRPGWWYFXCTSPY-QWHCGFSZSA-N 2 1 238.375 1.508 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250398336 349170270 /nfs/dbraw/zinc/17/02/70/349170270.db2.gz YVYHYWCLCNZAMP-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250398336 349170272 /nfs/dbraw/zinc/17/02/72/349170272.db2.gz YVYHYWCLCNZAMP-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250398336 349170274 /nfs/dbraw/zinc/17/02/74/349170274.db2.gz YVYHYWCLCNZAMP-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000252745301 349208571 /nfs/dbraw/zinc/20/85/71/349208571.db2.gz PEVNENPVNFGETM-XQQFMLRXSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252840449 349219246 /nfs/dbraw/zinc/21/92/46/349219246.db2.gz BPFRPQXEPYUVJX-MROQNXINSA-N 2 1 246.358 1.597 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000252142976 349196780 /nfs/dbraw/zinc/19/67/80/349196780.db2.gz NMJODPFECKVZHB-MROQNXINSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCN1C ZINC000252142976 349196782 /nfs/dbraw/zinc/19/67/82/349196782.db2.gz NMJODPFECKVZHB-MROQNXINSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000252142976 349196784 /nfs/dbraw/zinc/19/67/84/349196784.db2.gz NMJODPFECKVZHB-MROQNXINSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000252142976 349196786 /nfs/dbraw/zinc/19/67/86/349196786.db2.gz NMJODPFECKVZHB-MROQNXINSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H](C[NH3+])C2CC2)O1 ZINC000126566356 490244873 /nfs/dbraw/zinc/24/48/73/490244873.db2.gz BDHXPGRNKLXTBL-USWWRNFRSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C)[C@@H](C[NH3+])C2CC2)O1 ZINC000126566356 490244880 /nfs/dbraw/zinc/24/48/80/490244880.db2.gz BDHXPGRNKLXTBL-USWWRNFRSA-N 2 1 212.337 1.223 20 0 BDADMP O=c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c[nH]1 ZINC000392704406 349316541 /nfs/dbraw/zinc/31/65/41/349316541.db2.gz VLTXOHXHAKKUBI-STQMWFEESA-N 2 1 247.342 1.504 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623528545 362946922 /nfs/dbraw/zinc/94/69/22/362946922.db2.gz SMZPSWIXISAJPH-NWDGAFQWSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000070968182 350077152 /nfs/dbraw/zinc/07/71/52/350077152.db2.gz QPSATRDGNGMACF-NWDGAFQWSA-N 2 1 212.337 1.095 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@@H](O)CN(C)CC ZINC000380986227 350111147 /nfs/dbraw/zinc/11/11/47/350111147.db2.gz DEPJBZIIOSDZBL-ZDUSSCGKSA-N 2 1 230.396 1.667 20 0 BDADMP CCC[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC ZINC000380986227 350111149 /nfs/dbraw/zinc/11/11/49/350111149.db2.gz DEPJBZIIOSDZBL-ZDUSSCGKSA-N 2 1 230.396 1.667 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC ZINC000380986227 350111152 /nfs/dbraw/zinc/11/11/52/350111152.db2.gz DEPJBZIIOSDZBL-ZDUSSCGKSA-N 2 1 230.396 1.667 20 0 BDADMP CCC[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)CC ZINC000380986227 350111153 /nfs/dbraw/zinc/11/11/53/350111153.db2.gz DEPJBZIIOSDZBL-ZDUSSCGKSA-N 2 1 230.396 1.667 20 0 BDADMP CCC[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)CC ZINC000380986227 350111154 /nfs/dbraw/zinc/11/11/54/350111154.db2.gz DEPJBZIIOSDZBL-ZDUSSCGKSA-N 2 1 230.396 1.667 20 0 BDADMP CSCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132446442 191033156 /nfs/dbraw/zinc/03/31/56/191033156.db2.gz JJDHRFSRTNMQCP-MNOVXSKESA-N 2 1 216.394 1.812 20 0 BDADMP COCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132406817 191032015 /nfs/dbraw/zinc/03/20/15/191032015.db2.gz RVWATYPRWVQBFE-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000340432260 180152879 /nfs/dbraw/zinc/15/28/79/180152879.db2.gz FEHXWPNCVHWYKS-GFCCVEGCSA-N 2 1 248.374 1.607 20 0 BDADMP Cc1ncc([C@H](C)NC[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC000154555762 180173933 /nfs/dbraw/zinc/17/39/33/180173933.db2.gz PUHNLCYMRTXTGT-GXFFZTMASA-N 2 1 248.374 1.838 20 0 BDADMP Cc1ncc([C@H](C)NC[C@H]2CCC[N@H+]2C)c(C)n1 ZINC000154555762 180173938 /nfs/dbraw/zinc/17/39/38/180173938.db2.gz PUHNLCYMRTXTGT-GXFFZTMASA-N 2 1 248.374 1.838 20 0 BDADMP C[NH+](C)CC[C@H]([NH2+]Cc1cn[nH]c1)C(C)(C)C ZINC000604771105 350186496 /nfs/dbraw/zinc/18/64/96/350186496.db2.gz XAOOMQPIYWZXJZ-LBPRGKRZSA-N 2 1 238.379 1.866 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](C)C1 ZINC000309210523 350191506 /nfs/dbraw/zinc/19/15/06/350191506.db2.gz DLCRYDDHGKTZIW-AVGNSLFASA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000309210523 350191509 /nfs/dbraw/zinc/19/15/09/350191509.db2.gz DLCRYDDHGKTZIW-AVGNSLFASA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000309210523 350191511 /nfs/dbraw/zinc/19/15/11/350191511.db2.gz DLCRYDDHGKTZIW-AVGNSLFASA-N 2 1 228.380 1.277 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CC(O)C1 ZINC000353495017 180234912 /nfs/dbraw/zinc/23/49/12/180234912.db2.gz ZOGYETLMJWBUHE-UHFFFAOYSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CC(O)C1 ZINC000353495017 180234915 /nfs/dbraw/zinc/23/49/15/180234915.db2.gz ZOGYETLMJWBUHE-UHFFFAOYSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCOC1 ZINC000336684229 180235925 /nfs/dbraw/zinc/23/59/25/180235925.db2.gz DXEVDEOHAWZDAR-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCOC1 ZINC000336684229 180235929 /nfs/dbraw/zinc/23/59/29/180235929.db2.gz DXEVDEOHAWZDAR-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000273953608 180247072 /nfs/dbraw/zinc/24/70/72/180247072.db2.gz FESNXRWTAIJFRF-SNVBAGLBSA-N 2 1 233.319 1.656 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352664515 180249254 /nfs/dbraw/zinc/24/92/54/180249254.db2.gz CCMJPBSINMQLIO-RYUDHWBXSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352664515 180249257 /nfs/dbraw/zinc/24/92/57/180249257.db2.gz CCMJPBSINMQLIO-RYUDHWBXSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000270619552 180250206 /nfs/dbraw/zinc/25/02/06/180250206.db2.gz DCPXNBODZNCOHN-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCCO1 ZINC000270619552 180250208 /nfs/dbraw/zinc/25/02/08/180250208.db2.gz DCPXNBODZNCOHN-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365853448 180242416 /nfs/dbraw/zinc/24/24/16/180242416.db2.gz CNPXVZSXGPUMDD-CQSZACIVSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365853448 180242418 /nfs/dbraw/zinc/24/24/18/180242418.db2.gz CNPXVZSXGPUMDD-CQSZACIVSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000336690224 180242469 /nfs/dbraw/zinc/24/24/69/180242469.db2.gz CXHVTGZIKSHVAS-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000336690224 180242471 /nfs/dbraw/zinc/24/24/71/180242471.db2.gz CXHVTGZIKSHVAS-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)C(C)(C)O ZINC000330766559 180243555 /nfs/dbraw/zinc/24/35/55/180243555.db2.gz VIKKDCXDLQWKCD-UHFFFAOYSA-N 2 1 239.363 1.721 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CC1(C)COC1 ZINC000285458925 180243600 /nfs/dbraw/zinc/24/36/00/180243600.db2.gz MVRJKAYIHSYZEA-UHFFFAOYSA-N 2 1 223.320 1.208 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nccn1C ZINC000338008815 180243692 /nfs/dbraw/zinc/24/36/92/180243692.db2.gz FGCQWMNEUAUQMW-NSHDSACASA-N 2 1 247.346 1.666 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1(C(C)C)CC1 ZINC000292993622 180260641 /nfs/dbraw/zinc/26/06/41/180260641.db2.gz MKSFSWNWZWVORP-UHFFFAOYSA-N 2 1 207.321 1.970 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cocn1 ZINC000192307772 180265519 /nfs/dbraw/zinc/26/55/19/180265519.db2.gz ZJKDENLZIWPKMM-SNVBAGLBSA-N 2 1 234.303 1.605 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cncn1C ZINC000105442667 180266584 /nfs/dbraw/zinc/26/65/84/180266584.db2.gz KZVDGSMKSDAFDB-LLVKDONJSA-N 2 1 247.346 1.351 20 0 BDADMP Cc1ncsc1CC[N@@H+](C)[C@H](CN)C1CC1 ZINC000126757722 180307686 /nfs/dbraw/zinc/30/76/86/180307686.db2.gz HOXBDWCPGWMLLQ-LLVKDONJSA-N 2 1 239.388 1.663 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227068141 180308937 /nfs/dbraw/zinc/30/89/37/180308937.db2.gz BLRJUSNEZJTSAU-GXSJLCMTSA-N 2 1 239.388 1.663 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C1CCCCC1 ZINC000034216856 350464668 /nfs/dbraw/zinc/46/46/68/350464668.db2.gz CSDAIAYEYIPVLL-UHFFFAOYSA-N 2 1 200.326 1.226 20 0 BDADMP C[C@H](CCN(C)C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422788463 192468829 /nfs/dbraw/zinc/46/88/29/192468829.db2.gz VLHISERQHSJCLD-PNESKVBLSA-N 2 1 227.396 1.434 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000163345885 350516435 /nfs/dbraw/zinc/51/64/35/350516435.db2.gz OIHFGFOSZOLZFG-NEPJUHHUSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)SCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309478738 350564302 /nfs/dbraw/zinc/56/43/02/350564302.db2.gz VNAUKHAAWQJCOP-GFCCVEGCSA-N 2 1 246.420 1.173 20 0 BDADMP CC(C)SCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309478738 350564305 /nfs/dbraw/zinc/56/43/05/350564305.db2.gz VNAUKHAAWQJCOP-GFCCVEGCSA-N 2 1 246.420 1.173 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC1(C)C ZINC000623551636 362972021 /nfs/dbraw/zinc/97/20/21/362972021.db2.gz ACLIYBMUZMAENM-WZRBSPASSA-N 2 1 226.364 1.362 20 0 BDADMP Cc1ncc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000628308899 350784807 /nfs/dbraw/zinc/78/48/07/350784807.db2.gz PNUQCJBILNWQHZ-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1(CO)CC1 ZINC000623563810 362989360 /nfs/dbraw/zinc/98/93/60/362989360.db2.gz KQHVIVAABDUYJE-RYUDHWBXSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@@H+]1C ZINC000638116675 351991558 /nfs/dbraw/zinc/99/15/58/351991558.db2.gz LFADODDNILGOPV-YPMHNXCESA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@H+]1C ZINC000638116675 351991562 /nfs/dbraw/zinc/99/15/62/351991562.db2.gz LFADODDNILGOPV-YPMHNXCESA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1C ZINC000638116675 351991565 /nfs/dbraw/zinc/99/15/65/351991565.db2.gz LFADODDNILGOPV-YPMHNXCESA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1C ZINC000638116675 351991568 /nfs/dbraw/zinc/99/15/68/351991568.db2.gz LFADODDNILGOPV-YPMHNXCESA-N 2 1 249.358 1.702 20 0 BDADMP CC[C@H](C)[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000638186075 352051136 /nfs/dbraw/zinc/05/11/36/352051136.db2.gz KLHTZZWSPFYAET-WUHRBBMRSA-N 2 1 226.364 1.199 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638304152 352133860 /nfs/dbraw/zinc/13/38/60/352133860.db2.gz MAYRFHXJJPIKDG-PSASIEDQSA-N 2 1 218.291 1.714 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638360488 352171798 /nfs/dbraw/zinc/17/17/98/352171798.db2.gz SCBFLBXCPLSWIH-NWDGAFQWSA-N 2 1 246.420 1.438 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638381000 352190800 /nfs/dbraw/zinc/19/08/00/352190800.db2.gz HCINXGGAFNTFPG-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000638381348 352192910 /nfs/dbraw/zinc/19/29/10/352192910.db2.gz KIWYSVDBZDIRDN-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000638381349 352193247 /nfs/dbraw/zinc/19/32/47/352193247.db2.gz KIWYSVDBZDIRDN-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccns1 ZINC000638384912 352195172 /nfs/dbraw/zinc/19/51/72/352195172.db2.gz FAUKQIVSAAZMSO-UHFFFAOYSA-N 2 1 236.344 1.828 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638410248 352217601 /nfs/dbraw/zinc/21/76/01/352217601.db2.gz YIISTLAGQIPXGI-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000638409346 352218563 /nfs/dbraw/zinc/21/85/63/352218563.db2.gz KBABSGBJSNKOEI-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000638409346 352218566 /nfs/dbraw/zinc/21/85/66/352218566.db2.gz KBABSGBJSNKOEI-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)Cn2ccnc2)CC1 ZINC000037157193 358468760 /nfs/dbraw/zinc/46/87/60/358468760.db2.gz LVSJSFONXOUOSQ-GFCCVEGCSA-N 2 1 236.363 1.346 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638452235 352262221 /nfs/dbraw/zinc/26/22/21/352262221.db2.gz VVVOSTJXQLJWAY-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000307358339 352336386 /nfs/dbraw/zinc/33/63/86/352336386.db2.gz DOHBYGZIWYQULJ-IVZWLZJFSA-N 2 1 200.351 1.222 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414955712 352374964 /nfs/dbraw/zinc/37/49/64/352374964.db2.gz MPIDFMJNGYFURV-KOLCDFICSA-N 2 1 239.388 1.793 20 0 BDADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000042451983 352622330 /nfs/dbraw/zinc/62/23/30/352622330.db2.gz JHQOVMSFVBTHLZ-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cnn2ccccc12 ZINC000334198565 352790374 /nfs/dbraw/zinc/79/03/74/352790374.db2.gz MQBNDPBQUZPEDQ-YPMHNXCESA-N 2 1 244.342 1.374 20 0 BDADMP Cc1nocc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334349946 352980958 /nfs/dbraw/zinc/98/09/58/352980958.db2.gz FFVAJRKEXDRULV-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000334349946 352980962 /nfs/dbraw/zinc/98/09/62/352980962.db2.gz FFVAJRKEXDRULV-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000334349946 352980966 /nfs/dbraw/zinc/98/09/66/352980966.db2.gz FFVAJRKEXDRULV-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000334349946 352980971 /nfs/dbraw/zinc/98/09/71/352980971.db2.gz FFVAJRKEXDRULV-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP C[C@@H]([NH2+]CCN(C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422812425 192476451 /nfs/dbraw/zinc/47/64/51/192476451.db2.gz QHVCLRQGIHDYDP-UKRRQHHQSA-N 2 1 247.386 1.853 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638839106 353023918 /nfs/dbraw/zinc/02/39/18/353023918.db2.gz XLGWGYOBFBDPHY-UHFFFAOYSA-N 2 1 246.358 1.438 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC[C@H]3CCO3)[C@H]2C1 ZINC000638917219 353081034 /nfs/dbraw/zinc/08/10/34/353081034.db2.gz CTUAHXPXEFCCEE-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC[C@H]3CCO3)[C@H]2C1 ZINC000638917219 353081036 /nfs/dbraw/zinc/08/10/36/353081036.db2.gz CTUAHXPXEFCCEE-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC[C@H]3CCO3)[C@H]2C1 ZINC000638917219 353081037 /nfs/dbraw/zinc/08/10/37/353081037.db2.gz CTUAHXPXEFCCEE-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC[C@H]3CCO3)[C@H]2C1 ZINC000638917219 353081039 /nfs/dbraw/zinc/08/10/39/353081039.db2.gz CTUAHXPXEFCCEE-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP CCC[C@H](C[N@H+]1CC[C@H]2CCN(C)C[C@H]21)OC ZINC000638919097 353083799 /nfs/dbraw/zinc/08/37/99/353083799.db2.gz YEAALIZTHFZKCQ-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC000336722374 188012287 /nfs/dbraw/zinc/01/22/87/188012287.db2.gz ZZIWDSHOVKELDW-ZDUSSCGKSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cncnc1 ZINC000290320678 188036058 /nfs/dbraw/zinc/03/60/58/188036058.db2.gz CYKQHXPODYWJAT-AAEUAGOBSA-N 2 1 234.347 1.249 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428080 188042947 /nfs/dbraw/zinc/04/29/47/188042947.db2.gz PCWORDFDCCWCOI-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428080 188042949 /nfs/dbraw/zinc/04/29/49/188042949.db2.gz PCWORDFDCCWCOI-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000129014518 188048363 /nfs/dbraw/zinc/04/83/63/188048363.db2.gz LQWIXPSFASFBFS-MCIONIFRSA-N 2 1 237.391 1.345 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062036350 188049958 /nfs/dbraw/zinc/04/99/58/188049958.db2.gz UBWZPWGIOLDBQK-UHFFFAOYSA-N 3 1 239.407 1.532 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000336366154 188056171 /nfs/dbraw/zinc/05/61/71/188056171.db2.gz XFDJQPNKKAWZCX-AWEZNQCLSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000336409220 188056485 /nfs/dbraw/zinc/05/64/85/188056485.db2.gz JBAQKASGQFDHIG-WCQYABFASA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000336409220 188056486 /nfs/dbraw/zinc/05/64/86/188056486.db2.gz JBAQKASGQFDHIG-WCQYABFASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1=CCCOC1 ZINC000336526520 188056988 /nfs/dbraw/zinc/05/69/88/188056988.db2.gz NDGKUJITANXLKI-JSGCOSHPSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1=CCCOC1 ZINC000336526520 188056990 /nfs/dbraw/zinc/05/69/90/188056990.db2.gz NDGKUJITANXLKI-JSGCOSHPSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1=CCCOC1 ZINC000336526520 188056992 /nfs/dbraw/zinc/05/69/92/188056992.db2.gz NDGKUJITANXLKI-JSGCOSHPSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1=CCCOC1 ZINC000336526520 188056994 /nfs/dbraw/zinc/05/69/94/188056994.db2.gz NDGKUJITANXLKI-JSGCOSHPSA-N 2 1 238.375 1.605 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(N[C@H](C)CC[NH3+])n1 ZINC000420226489 192178697 /nfs/dbraw/zinc/17/86/97/192178697.db2.gz LWVVQQAMRPPLIF-SECBINFHSA-N 2 1 246.318 1.120 20 0 BDADMP CC[N@H+]1CC[C@@H](CNC2CC[NH+](CC)CC2)C1 ZINC000037643797 358475174 /nfs/dbraw/zinc/47/51/74/358475174.db2.gz MRZOFSNUWOLKCQ-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CC)CC2)C1 ZINC000037643797 358475177 /nfs/dbraw/zinc/47/51/77/358475177.db2.gz MRZOFSNUWOLKCQ-ZDUSSCGKSA-N 3 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CC)CC2)C1 ZINC000037643797 358475180 /nfs/dbraw/zinc/47/51/80/358475180.db2.gz MRZOFSNUWOLKCQ-ZDUSSCGKSA-N 3 1 239.407 1.402 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000162153072 538111758 /nfs/dbraw/zinc/11/17/58/538111758.db2.gz VUFSYBMGWXZILN-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000162153072 538111759 /nfs/dbraw/zinc/11/17/59/538111759.db2.gz VUFSYBMGWXZILN-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000162153072 538111760 /nfs/dbraw/zinc/11/17/60/538111760.db2.gz VUFSYBMGWXZILN-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251821677 353292544 /nfs/dbraw/zinc/29/25/44/353292544.db2.gz OZQSYSNGTLWOMC-ZWNOBZJWSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251821677 353292547 /nfs/dbraw/zinc/29/25/47/353292547.db2.gz OZQSYSNGTLWOMC-ZWNOBZJWSA-N 2 1 222.307 1.995 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000165489108 353366273 /nfs/dbraw/zinc/36/62/73/353366273.db2.gz VOEOZSSTCDCPLQ-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000165489108 353366277 /nfs/dbraw/zinc/36/62/77/353366277.db2.gz VOEOZSSTCDCPLQ-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)CCCOC)CC1 ZINC000336775693 353444433 /nfs/dbraw/zinc/44/44/33/353444433.db2.gz ZROIFJXNLVASIF-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CCC1CCOCC1 ZINC000393828596 353455867 /nfs/dbraw/zinc/45/58/67/353455867.db2.gz JDMUODQZEOJGEK-UHFFFAOYSA-N 2 1 237.347 1.598 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336780335 353572991 /nfs/dbraw/zinc/57/29/91/353572991.db2.gz QZWPCMXLBIOLFT-RGIBJUCOSA-N 2 1 226.364 1.386 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336780335 353572993 /nfs/dbraw/zinc/57/29/93/353572993.db2.gz QZWPCMXLBIOLFT-RGIBJUCOSA-N 2 1 226.364 1.386 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(C)(C)O ZINC000227737315 363247462 /nfs/dbraw/zinc/24/74/62/363247462.db2.gz ZDZONPNLBLIGPA-JTQLQIEISA-N 2 1 202.342 1.063 20 0 BDADMP C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3N)C[C@H]2C1 ZINC000639112571 353707670 /nfs/dbraw/zinc/70/76/70/353707670.db2.gz DEJGBPVMKWBUCI-TXEJJXNPSA-N 2 1 249.333 1.401 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1CCCCC1 ZINC000334522782 353890158 /nfs/dbraw/zinc/89/01/58/353890158.db2.gz ZSHBDNXDGRLWTB-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1CCCCC1 ZINC000334522797 353890766 /nfs/dbraw/zinc/89/07/66/353890766.db2.gz ZSHBDNXDGRLWTB-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334558970 354007635 /nfs/dbraw/zinc/00/76/35/354007635.db2.gz JEQWWQCAKJKXLU-CMPLNLGQSA-N 2 1 244.342 1.732 20 0 BDADMP CO[C@@](C)(C[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000639168422 354073581 /nfs/dbraw/zinc/07/35/81/354073581.db2.gz UDUPPVHWYQNLCO-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[C@H](CO)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000344137928 354151742 /nfs/dbraw/zinc/15/17/42/354151742.db2.gz KADOROJGTGXWLV-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@H](CO)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000344137928 354151745 /nfs/dbraw/zinc/15/17/45/354151745.db2.gz KADOROJGTGXWLV-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@H](CO)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000344137928 354151748 /nfs/dbraw/zinc/15/17/48/354151748.db2.gz KADOROJGTGXWLV-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC[NH+](C)C1CCCC1 ZINC000344226791 354183485 /nfs/dbraw/zinc/18/34/85/354183485.db2.gz DMGVHZJJLBEOPF-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000344226791 354183488 /nfs/dbraw/zinc/18/34/88/354183488.db2.gz DMGVHZJJLBEOPF-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000344226791 354183493 /nfs/dbraw/zinc/18/34/93/354183493.db2.gz DMGVHZJJLBEOPF-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)CC[NH2+]1 ZINC000334587517 354212876 /nfs/dbraw/zinc/21/28/76/354212876.db2.gz OOWDWBMNLXIKGO-CHWSQXEVSA-N 3 1 237.391 1.202 20 0 BDADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000639178521 354255870 /nfs/dbraw/zinc/25/58/70/354255870.db2.gz LKQNHPOSUYQQDM-MRVWCRGKSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000639178521 354255872 /nfs/dbraw/zinc/25/58/72/354255872.db2.gz LKQNHPOSUYQQDM-MRVWCRGKSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000639178521 354255873 /nfs/dbraw/zinc/25/58/73/354255873.db2.gz LKQNHPOSUYQQDM-MRVWCRGKSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000639178521 354255874 /nfs/dbraw/zinc/25/58/74/354255874.db2.gz LKQNHPOSUYQQDM-MRVWCRGKSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000639178519 354255887 /nfs/dbraw/zinc/25/58/87/354255887.db2.gz LKQNHPOSUYQQDM-IACUBPJLSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000639178519 354255888 /nfs/dbraw/zinc/25/58/88/354255888.db2.gz LKQNHPOSUYQQDM-IACUBPJLSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000639178519 354255889 /nfs/dbraw/zinc/25/58/89/354255889.db2.gz LKQNHPOSUYQQDM-IACUBPJLSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000639178519 354255890 /nfs/dbraw/zinc/25/58/90/354255890.db2.gz LKQNHPOSUYQQDM-IACUBPJLSA-N 2 1 240.391 1.683 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCCF)C2)C1 ZINC000334615366 354301658 /nfs/dbraw/zinc/30/16/58/354301658.db2.gz IPKPDRLRWHRJAS-NSHDSACASA-N 2 1 200.301 1.374 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC000334615366 354301661 /nfs/dbraw/zinc/30/16/61/354301661.db2.gz IPKPDRLRWHRJAS-NSHDSACASA-N 2 1 200.301 1.374 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC000334615366 354301663 /nfs/dbraw/zinc/30/16/63/354301663.db2.gz IPKPDRLRWHRJAS-NSHDSACASA-N 2 1 200.301 1.374 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC000334615354 354301919 /nfs/dbraw/zinc/30/19/19/354301919.db2.gz IPKPDRLRWHRJAS-LLVKDONJSA-N 2 1 200.301 1.374 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC000334615354 354301924 /nfs/dbraw/zinc/30/19/24/354301924.db2.gz IPKPDRLRWHRJAS-LLVKDONJSA-N 2 1 200.301 1.374 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC000334615354 354301925 /nfs/dbraw/zinc/30/19/25/354301925.db2.gz IPKPDRLRWHRJAS-LLVKDONJSA-N 2 1 200.301 1.374 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000577960582 366145212 /nfs/dbraw/zinc/14/52/12/366145212.db2.gz MHCVXRKLEAIUSW-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000577962641 366145873 /nfs/dbraw/zinc/14/58/73/366145873.db2.gz BLBDOAXZBVXRTA-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336054873 535260167 /nfs/dbraw/zinc/26/01/67/535260167.db2.gz PCCNXHNVAAFOSY-KGLIPLIRSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000336054873 535260171 /nfs/dbraw/zinc/26/01/71/535260171.db2.gz PCCNXHNVAAFOSY-KGLIPLIRSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000336054873 535260178 /nfs/dbraw/zinc/26/01/78/535260178.db2.gz PCCNXHNVAAFOSY-KGLIPLIRSA-N 2 1 239.407 1.258 20 0 BDADMP CCc1cc(N[C@@H]2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000334648995 354440347 /nfs/dbraw/zinc/44/03/47/354440347.db2.gz QKEWFMBFLCJLGR-CYBMUJFWSA-N 2 1 242.326 1.689 20 0 BDADMP Cc1nc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cs1 ZINC000334646490 354436457 /nfs/dbraw/zinc/43/64/57/354436457.db2.gz JBCNVWVQBYSDRN-SECBINFHSA-N 2 1 248.355 1.822 20 0 BDADMP Cc1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000334766647 354588638 /nfs/dbraw/zinc/58/86/38/354588638.db2.gz ORTUTIKJBUVWCJ-GASCZTMLSA-N 2 1 230.355 1.689 20 0 BDADMP CCC[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639204284 354616075 /nfs/dbraw/zinc/61/60/75/354616075.db2.gz QIDBTGDHDJLBFW-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000639204284 354616076 /nfs/dbraw/zinc/61/60/76/354616076.db2.gz QIDBTGDHDJLBFW-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204284 354616078 /nfs/dbraw/zinc/61/60/78/354616078.db2.gz QIDBTGDHDJLBFW-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639204286 354616105 /nfs/dbraw/zinc/61/61/05/354616105.db2.gz QIDBTGDHDJLBFW-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)COCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000232641049 363378840 /nfs/dbraw/zinc/37/88/40/363378840.db2.gz UONYYSYDLMTWCK-GFCCVEGCSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)COCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000232641049 363378846 /nfs/dbraw/zinc/37/88/46/363378846.db2.gz UONYYSYDLMTWCK-GFCCVEGCSA-N 2 1 214.353 1.328 20 0 BDADMP C[N@H+](Cc1cnc2cnccn12)CC(C)(C)C[NH3+] ZINC000346653835 355002680 /nfs/dbraw/zinc/00/26/80/355002680.db2.gz FLSVIADYZGHBAK-UHFFFAOYSA-N 2 1 247.346 1.146 20 0 BDADMP C[N@@H+](Cc1cnc2cnccn12)CC(C)(C)C[NH3+] ZINC000346653835 355002683 /nfs/dbraw/zinc/00/26/83/355002683.db2.gz FLSVIADYZGHBAK-UHFFFAOYSA-N 2 1 247.346 1.146 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000346674640 355009164 /nfs/dbraw/zinc/00/91/64/355009164.db2.gz ISPRVADQYMLCEF-VHSXEESVSA-N 2 1 239.388 1.875 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000346674640 355009167 /nfs/dbraw/zinc/00/91/67/355009167.db2.gz ISPRVADQYMLCEF-VHSXEESVSA-N 2 1 239.388 1.875 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)CCO1 ZINC000346695203 355077267 /nfs/dbraw/zinc/07/72/67/355077267.db2.gz YVIYEVUPGKGQCI-RFQIPJPRSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000166073395 355078042 /nfs/dbraw/zinc/07/80/42/355078042.db2.gz RNSMLKKHHVBAPP-GFCCVEGCSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[NH3+])s1 ZINC000335218831 355058100 /nfs/dbraw/zinc/05/81/00/355058100.db2.gz ORLLZVGIUPHWCS-NXEZZACHSA-N 2 1 225.361 1.729 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346853504 355138733 /nfs/dbraw/zinc/13/87/33/355138733.db2.gz SSJUDUBRWRKZPU-WCFLWFBJSA-N 2 1 234.347 1.196 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000335259558 355199705 /nfs/dbraw/zinc/19/97/05/355199705.db2.gz XBGLBNCQRONFPH-RNCFNFMXSA-N 2 1 238.306 1.619 20 0 BDADMP CC[C@@H](C[N@H+](C)CCCn1cc[nH+]c1C)OC ZINC000412974322 191345420 /nfs/dbraw/zinc/34/54/20/191345420.db2.gz ACCKOEYQGSUEHN-ZDUSSCGKSA-N 2 1 239.363 1.938 20 0 BDADMP CC[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1C)OC ZINC000412974322 191345423 /nfs/dbraw/zinc/34/54/23/191345423.db2.gz ACCKOEYQGSUEHN-ZDUSSCGKSA-N 2 1 239.363 1.938 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000113513540 355249747 /nfs/dbraw/zinc/24/97/47/355249747.db2.gz XOXCIWOJUOTIRE-CYBMUJFWSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000113514115 355250340 /nfs/dbraw/zinc/25/03/40/355250340.db2.gz FETVCOITLPFTLZ-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514674 355251235 /nfs/dbraw/zinc/25/12/35/355251235.db2.gz OTHNUMFFPXYTBH-LBPRGKRZSA-N 2 1 214.353 1.295 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@H+]1C ZINC000639250060 355282465 /nfs/dbraw/zinc/28/24/65/355282465.db2.gz OUXZEPNDYLYBML-NDBYEHHHSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000335783277 355431613 /nfs/dbraw/zinc/43/16/13/355431613.db2.gz NVUHXUBKOXNWIV-GZMMTYOYSA-N 2 1 222.336 1.196 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1CCCC1 ZINC000166444303 355464284 /nfs/dbraw/zinc/46/42/84/355464284.db2.gz NGNASSOGARBSRM-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000166444303 355464290 /nfs/dbraw/zinc/46/42/90/355464290.db2.gz NGNASSOGARBSRM-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CCn1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000414857074 191602351 /nfs/dbraw/zinc/60/23/51/191602351.db2.gz OUTYVRCUHYKLKL-AAEUAGOBSA-N 2 1 236.363 1.381 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1F ZINC000415008586 191648504 /nfs/dbraw/zinc/64/85/04/191648504.db2.gz MWBBIDOVGYXAFO-ZJUUUORDSA-N 2 1 210.296 1.959 20 0 BDADMP C[C@H](CC[NH3+])NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000349972524 355551447 /nfs/dbraw/zinc/55/14/47/355551447.db2.gz ZTFWADOLQTWLOT-DGCLKSJQSA-N 2 1 249.358 1.143 20 0 BDADMP Cc1ccncc1C[N@@H+](C)[C@@H]1CN2CCC1CC2 ZINC000639397670 356107028 /nfs/dbraw/zinc/10/70/28/356107028.db2.gz NKQQJVGHWZSHJM-OAHLLOKOSA-N 2 1 245.370 1.916 20 0 BDADMP Cc1ccncc1C[N@H+](C)[C@@H]1CN2CCC1CC2 ZINC000639397670 356107031 /nfs/dbraw/zinc/10/70/31/356107031.db2.gz NKQQJVGHWZSHJM-OAHLLOKOSA-N 2 1 245.370 1.916 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192249676 356078007 /nfs/dbraw/zinc/07/80/07/356078007.db2.gz PWGIIFIZJMRSIG-RYUDHWBXSA-N 2 1 236.363 1.413 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192249676 356078010 /nfs/dbraw/zinc/07/80/10/356078010.db2.gz PWGIIFIZJMRSIG-RYUDHWBXSA-N 2 1 236.363 1.413 20 0 BDADMP Cc1cnn(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000335917788 356163764 /nfs/dbraw/zinc/16/37/64/356163764.db2.gz MEPPXCCAGLEIRU-CQSZACIVSA-N 2 1 248.374 1.219 20 0 BDADMP Cc1cnn(CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000335917788 356163768 /nfs/dbraw/zinc/16/37/68/356163768.db2.gz MEPPXCCAGLEIRU-CQSZACIVSA-N 2 1 248.374 1.219 20 0 BDADMP Cc1cnn(CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000335917788 356163771 /nfs/dbraw/zinc/16/37/71/356163771.db2.gz MEPPXCCAGLEIRU-CQSZACIVSA-N 2 1 248.374 1.219 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000335917788 356163776 /nfs/dbraw/zinc/16/37/76/356163776.db2.gz MEPPXCCAGLEIRU-CQSZACIVSA-N 2 1 248.374 1.219 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420297593 192204373 /nfs/dbraw/zinc/20/43/73/192204373.db2.gz YVHRCIDEQOUZNZ-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000420299223 192204737 /nfs/dbraw/zinc/20/47/37/192204737.db2.gz IJVMVGRXEGHVIL-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP COC(=O)CC1(C[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000420295852 192205549 /nfs/dbraw/zinc/20/55/49/192205549.db2.gz AZSUXPIOZDQGNS-LBPRGKRZSA-N 2 1 240.347 1.047 20 0 BDADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000420318535 192195334 /nfs/dbraw/zinc/19/53/34/192195334.db2.gz QCUAZTXAQCNBOP-MGPQQGTHSA-N 2 1 238.375 1.487 20 0 BDADMP CC[NH+](CC)CCCN1CCC(C[NH3+])CC1 ZINC000420270850 192196997 /nfs/dbraw/zinc/19/69/97/192196997.db2.gz JSVLQONJFDXAAN-UHFFFAOYSA-N 2 1 227.396 1.389 20 0 BDADMP NC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420299515 192206803 /nfs/dbraw/zinc/20/68/03/192206803.db2.gz UANZHLUBCWPMHC-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420299515 192206805 /nfs/dbraw/zinc/20/68/05/192206805.db2.gz UANZHLUBCWPMHC-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420287306 192201055 /nfs/dbraw/zinc/20/10/55/192201055.db2.gz HUMSJJVGDIBTEE-NEPJUHHUSA-N 2 1 242.363 1.387 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000420287670 192201817 /nfs/dbraw/zinc/20/18/17/192201817.db2.gz XSYDLPZIFFBVLD-GXSJLCMTSA-N 2 1 249.314 1.042 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000639493748 356316495 /nfs/dbraw/zinc/31/64/95/356316495.db2.gz BMUXWQSXOIQVIH-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000639493748 356316496 /nfs/dbraw/zinc/31/64/96/356316496.db2.gz BMUXWQSXOIQVIH-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000639493748 356316499 /nfs/dbraw/zinc/31/64/99/356316499.db2.gz BMUXWQSXOIQVIH-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@H+](Cc1cc[nH]c(=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000639494007 356317823 /nfs/dbraw/zinc/31/78/23/356317823.db2.gz HNEYDCUGUNDVFZ-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP C[NH+](Cc1cc[nH]c(=O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000639494007 356317824 /nfs/dbraw/zinc/31/78/24/356317824.db2.gz HNEYDCUGUNDVFZ-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP C[NH+](Cc1cc[nH]c(=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000639494007 356317826 /nfs/dbraw/zinc/31/78/26/356317826.db2.gz HNEYDCUGUNDVFZ-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000639509743 356339372 /nfs/dbraw/zinc/33/93/72/356339372.db2.gz LBXPBQYWMHPDNG-DGCLKSJQSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000639509743 356339374 /nfs/dbraw/zinc/33/93/74/356339374.db2.gz LBXPBQYWMHPDNG-DGCLKSJQSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1C ZINC000639509743 356339376 /nfs/dbraw/zinc/33/93/76/356339376.db2.gz LBXPBQYWMHPDNG-DGCLKSJQSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1C ZINC000639509743 356339378 /nfs/dbraw/zinc/33/93/78/356339378.db2.gz LBXPBQYWMHPDNG-DGCLKSJQSA-N 2 1 249.358 1.702 20 0 BDADMP COc1cccc([C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350068 192217881 /nfs/dbraw/zinc/21/78/81/192217881.db2.gz FQWUQBBVLURMRK-ZYHUDNBSSA-N 2 1 238.331 1.008 20 0 BDADMP CC(C)(C)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420304951 192208738 /nfs/dbraw/zinc/20/87/38/192208738.db2.gz PABNHTZYMSMCKE-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420311307 192210744 /nfs/dbraw/zinc/21/07/44/192210744.db2.gz GVJLWCMFDISWLQ-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000420309736 192211735 /nfs/dbraw/zinc/21/17/35/192211735.db2.gz FILSPTNKWCLTRK-GJZGRUSLSA-N 2 1 245.370 1.556 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]12 ZINC000420308304 192211816 /nfs/dbraw/zinc/21/18/16/192211816.db2.gz NKHOFJKRHFUSOO-AAVRWANBSA-N 2 1 238.375 1.615 20 0 BDADMP C(C[N@H+]1CCOC[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000420370658 192227037 /nfs/dbraw/zinc/22/70/37/192227037.db2.gz YVVOSYSSFMQHAY-YPMHNXCESA-N 2 1 224.348 1.097 20 0 BDADMP COC1CC([N@H+](C)CCn2cc[nH+]c2C)C1 ZINC000352195880 134099054 /nfs/dbraw/zinc/09/90/54/134099054.db2.gz VAJZKWXZWQLOGZ-UHFFFAOYSA-N 2 1 223.320 1.301 20 0 BDADMP COC1CC([N@@H+](C)CCn2cc[nH+]c2C)C1 ZINC000352195880 134099055 /nfs/dbraw/zinc/09/90/55/134099055.db2.gz VAJZKWXZWQLOGZ-UHFFFAOYSA-N 2 1 223.320 1.301 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000420325895 192229656 /nfs/dbraw/zinc/22/96/56/192229656.db2.gz CACOYJMNMHDHDQ-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000420325895 192229657 /nfs/dbraw/zinc/22/96/57/192229657.db2.gz CACOYJMNMHDHDQ-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324983 192229989 /nfs/dbraw/zinc/22/99/89/192229989.db2.gz HTICSNMMVPMNRA-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420324261 192230184 /nfs/dbraw/zinc/23/01/84/192230184.db2.gz UWAVRTFWRIBUHO-QWHCGFSZSA-N 3 1 227.396 1.387 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420324261 192230187 /nfs/dbraw/zinc/23/01/87/192230187.db2.gz UWAVRTFWRIBUHO-QWHCGFSZSA-N 3 1 227.396 1.387 20 0 BDADMP CC[N@@H+]1CCN(CCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000352666762 356400323 /nfs/dbraw/zinc/40/03/23/356400323.db2.gz IHKGYQVIPCPNEQ-LBPRGKRZSA-N 2 1 236.363 1.218 20 0 BDADMP CC[N@H+]1CCN(CCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000352666762 356400328 /nfs/dbraw/zinc/40/03/28/356400328.db2.gz IHKGYQVIPCPNEQ-LBPRGKRZSA-N 2 1 236.363 1.218 20 0 BDADMP CCCCOCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420355976 192219011 /nfs/dbraw/zinc/21/90/11/192219011.db2.gz CFTGXWRRVLCKDS-YNEHKIRRSA-N 2 1 228.380 1.779 20 0 BDADMP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420357689 192219843 /nfs/dbraw/zinc/21/98/43/192219843.db2.gz SLLCRVMFVPKMCD-OLZOCXBDSA-N 2 1 222.332 1.389 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420359722 192221995 /nfs/dbraw/zinc/22/19/95/192221995.db2.gz KFJPBZLFUNJSNW-NWDGAFQWSA-N 3 1 227.396 1.339 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1cccnc1 ZINC000420360896 192222219 /nfs/dbraw/zinc/22/22/19/192222219.db2.gz HOSALTRQDPIWKT-DYEKYZERSA-N 2 1 233.359 1.600 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCc1ncc(C)s1 ZINC000420365814 192224495 /nfs/dbraw/zinc/22/44/95/192224495.db2.gz SSGCILVNAKZHCO-UHFFFAOYSA-N 2 1 227.377 1.535 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1ncc(C)s1 ZINC000420365814 192224498 /nfs/dbraw/zinc/22/44/98/192224498.db2.gz SSGCILVNAKZHCO-UHFFFAOYSA-N 2 1 227.377 1.535 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420363845 192224790 /nfs/dbraw/zinc/22/47/90/192224790.db2.gz OHOGIXHRJIQFIO-JTQLQIEISA-N 2 1 230.352 1.291 20 0 BDADMP CC(C)COCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420367591 192225578 /nfs/dbraw/zinc/22/55/78/192225578.db2.gz MWELRSONBSNHCB-RWMBFGLXSA-N 2 1 228.380 1.635 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420384463 192234666 /nfs/dbraw/zinc/23/46/66/192234666.db2.gz DVNNHRKKXKFPDO-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC000420388873 192235109 /nfs/dbraw/zinc/23/51/09/192235109.db2.gz XEZNCCRJFJFVPH-AWEZNQCLSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000420383347 192235427 /nfs/dbraw/zinc/23/54/27/192235427.db2.gz ZIWYMNHRHPODLM-NSHDSACASA-N 2 1 249.358 1.905 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCn1ccnc1C ZINC000420391259 192236441 /nfs/dbraw/zinc/23/64/41/192236441.db2.gz RVYTYJGRDVIULU-UHFFFAOYSA-N 3 1 224.352 1.123 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000420391259 192236444 /nfs/dbraw/zinc/23/64/44/192236444.db2.gz RVYTYJGRDVIULU-UHFFFAOYSA-N 3 1 224.352 1.123 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000420412070 192238857 /nfs/dbraw/zinc/23/88/57/192238857.db2.gz SAMALEPZILWFLF-UBHSHLNASA-N 2 1 234.343 1.701 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420415239 192241282 /nfs/dbraw/zinc/24/12/82/192241282.db2.gz UXPKLMNDNVEQCX-RYUDHWBXSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000420412514 192241291 /nfs/dbraw/zinc/24/12/91/192241291.db2.gz SGYNQWJREWEEJN-IACUBPJLSA-N 2 1 233.359 1.369 20 0 BDADMP CC[N@H+]1CCN(CC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000352676905 356401684 /nfs/dbraw/zinc/40/16/84/356401684.db2.gz VCQHGEUDAOXYIC-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000352676905 356401686 /nfs/dbraw/zinc/40/16/86/356401686.db2.gz VCQHGEUDAOXYIC-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000352676905 356401690 /nfs/dbraw/zinc/40/16/90/356401690.db2.gz VCQHGEUDAOXYIC-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420377562 192232745 /nfs/dbraw/zinc/23/27/45/192232745.db2.gz SNHMBRHWTRQRQO-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C ZINC000420917780 192272635 /nfs/dbraw/zinc/27/26/35/192272635.db2.gz UBMCZXRWUHQAEV-IGQOVBAYSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C ZINC000420917780 192272636 /nfs/dbraw/zinc/27/26/36/192272636.db2.gz UBMCZXRWUHQAEV-IGQOVBAYSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C ZINC000420917780 192272639 /nfs/dbraw/zinc/27/26/39/192272639.db2.gz UBMCZXRWUHQAEV-IGQOVBAYSA-N 2 1 240.391 1.562 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1(C2CC2)CC1 ZINC000639577825 356499323 /nfs/dbraw/zinc/49/93/23/356499323.db2.gz JUDXFOKQZLSSSR-UHFFFAOYSA-N 2 1 205.305 1.495 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420981394 192290010 /nfs/dbraw/zinc/29/00/10/192290010.db2.gz YDNOUFZYSIQVAC-TXEJJXNPSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]12CCOC2 ZINC000421016939 192304232 /nfs/dbraw/zinc/30/42/32/192304232.db2.gz JOAPGSKLNXWDLT-OLZOCXBDSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]12CCOC2 ZINC000421016939 192304234 /nfs/dbraw/zinc/30/42/34/192304234.db2.gz JOAPGSKLNXWDLT-OLZOCXBDSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]12CCOC2 ZINC000421016939 192304236 /nfs/dbraw/zinc/30/42/36/192304236.db2.gz JOAPGSKLNXWDLT-OLZOCXBDSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]12CCOC2 ZINC000421016939 192304239 /nfs/dbraw/zinc/30/42/39/192304239.db2.gz JOAPGSKLNXWDLT-OLZOCXBDSA-N 2 1 224.348 1.336 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000639653425 356564655 /nfs/dbraw/zinc/56/46/55/356564655.db2.gz AGXORNPDHZCSTQ-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000639653425 356564660 /nfs/dbraw/zinc/56/46/60/356564660.db2.gz AGXORNPDHZCSTQ-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000639653425 356564663 /nfs/dbraw/zinc/56/46/63/356564663.db2.gz AGXORNPDHZCSTQ-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@@H]1OC ZINC000422942761 192511739 /nfs/dbraw/zinc/51/17/39/192511739.db2.gz PYVMAUMXSXSQDZ-UTUOFQBUSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000167606806 134153058 /nfs/dbraw/zinc/15/30/58/134153058.db2.gz WENUFAAYZKWSAW-AAEUAGOBSA-N 2 1 219.332 1.498 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CCC(C)(C)O)C2)CC1 ZINC000639755871 356659034 /nfs/dbraw/zinc/65/90/34/356659034.db2.gz PTXCPISCUYIIPZ-UHFFFAOYSA-N 2 1 240.391 1.565 20 0 BDADMP CCSCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167667339 134153546 /nfs/dbraw/zinc/15/35/46/134153546.db2.gz GSDVLQOPYKUWTK-GHMZBOCLSA-N 2 1 216.394 1.656 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639761082 356675716 /nfs/dbraw/zinc/67/57/16/356675716.db2.gz CVSGYYNLXGBCTB-JHJVBQTASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761082 356675717 /nfs/dbraw/zinc/67/57/17/356675717.db2.gz CVSGYYNLXGBCTB-JHJVBQTASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761082 356675718 /nfs/dbraw/zinc/67/57/18/356675718.db2.gz CVSGYYNLXGBCTB-JHJVBQTASA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)=CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761532 356677756 /nfs/dbraw/zinc/67/77/56/356677756.db2.gz GELUBXGINJVSRD-CQSZACIVSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)C[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761840 356679807 /nfs/dbraw/zinc/67/98/07/356679807.db2.gz FGFKGAMSJSALGD-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761840 356679811 /nfs/dbraw/zinc/67/98/11/356679811.db2.gz FGFKGAMSJSALGD-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000639763315 356688858 /nfs/dbraw/zinc/68/88/58/356688858.db2.gz CDEMOKINGKTBRQ-OAHLLOKOSA-N 2 1 248.370 1.575 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000639763315 356688862 /nfs/dbraw/zinc/68/88/62/356688862.db2.gz CDEMOKINGKTBRQ-OAHLLOKOSA-N 2 1 248.370 1.575 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CO)C1 ZINC000305612004 134160471 /nfs/dbraw/zinc/16/04/71/134160471.db2.gz AAEUKUPOYADGMI-CYBMUJFWSA-N 2 1 237.347 1.286 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CO)C1 ZINC000305612004 134160472 /nfs/dbraw/zinc/16/04/72/134160472.db2.gz AAEUKUPOYADGMI-CYBMUJFWSA-N 2 1 237.347 1.286 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@@H]2c2cn[nH]c2)cn1 ZINC000639779149 356725953 /nfs/dbraw/zinc/72/59/53/356725953.db2.gz YGQZPAPPQGKCQE-GFCCVEGCSA-N 2 1 231.303 1.443 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423160403 192596959 /nfs/dbraw/zinc/59/69/59/192596959.db2.gz HCTHRZFOHAOHSK-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC2)CC1(C)C ZINC000623356317 356792367 /nfs/dbraw/zinc/79/23/67/356792367.db2.gz IJILCYJZVKTMAS-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000353466584 538744732 /nfs/dbraw/zinc/74/47/32/538744732.db2.gz ZRIKLKNRQSFIAV-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383424 356907486 /nfs/dbraw/zinc/90/74/86/356907486.db2.gz TVICJRDUMNNPLZ-ZDUSSCGKSA-N 3 1 241.423 1.791 20 0 BDADMP CN1CC[C@H]([NH2+]CCCC[NH+](C)C)CC1(C)C ZINC000623383424 356907488 /nfs/dbraw/zinc/90/74/88/356907488.db2.gz TVICJRDUMNNPLZ-ZDUSSCGKSA-N 2 1 241.423 1.791 20 0 BDADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119598554 357029275 /nfs/dbraw/zinc/02/92/75/357029275.db2.gz DETZAPRDIPHGPT-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000020205763 357001229 /nfs/dbraw/zinc/00/12/29/357001229.db2.gz LCHIJWOPJBHYNM-DGCLKSJQSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628425599 357252246 /nfs/dbraw/zinc/25/22/46/357252246.db2.gz PWYMOGDTZQRBQG-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1nccn1CC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000230377445 357531005 /nfs/dbraw/zinc/53/10/05/357531005.db2.gz NSOHYWNHRSJGCG-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000230938891 357581060 /nfs/dbraw/zinc/58/10/60/357581060.db2.gz BOYUXWURCXSYDQ-LLVKDONJSA-N 2 1 237.322 1.652 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000230938891 357581064 /nfs/dbraw/zinc/58/10/64/357581064.db2.gz BOYUXWURCXSYDQ-LLVKDONJSA-N 2 1 237.322 1.652 20 0 BDADMP C=Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000232575151 357672248 /nfs/dbraw/zinc/67/22/48/357672248.db2.gz WYCZAHQUJGVKOA-ZIAGYGMSSA-N 2 1 246.358 1.700 20 0 BDADMP C=Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000232575151 357672252 /nfs/dbraw/zinc/67/22/52/357672252.db2.gz WYCZAHQUJGVKOA-ZIAGYGMSSA-N 2 1 246.358 1.700 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000168511610 134225244 /nfs/dbraw/zinc/22/52/44/134225244.db2.gz CGBNBFZGKPAGSI-CMPLNLGQSA-N 2 1 220.316 1.561 20 0 BDADMP COCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584411094 357913861 /nfs/dbraw/zinc/91/38/61/357913861.db2.gz JFIXPMKUOIDQPA-AWEZNQCLSA-N 2 1 240.391 1.879 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000217749039 134249221 /nfs/dbraw/zinc/24/92/21/134249221.db2.gz GCQKIHNQGSZSPC-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000584590240 358095865 /nfs/dbraw/zinc/09/58/65/358095865.db2.gz RLPMHPXBDXXGGZ-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1C ZINC000134028100 325338445 /nfs/dbraw/zinc/33/84/45/325338445.db2.gz LKAHILGNLWQVRO-STQMWFEESA-N 2 1 240.391 1.754 20 0 BDADMP CC[C@]1(O)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000640036877 358137092 /nfs/dbraw/zinc/13/70/92/358137092.db2.gz YOOIRUZQSVECBD-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(O)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000640036877 358137094 /nfs/dbraw/zinc/13/70/94/358137094.db2.gz YOOIRUZQSVECBD-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(O)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000640036877 358137098 /nfs/dbraw/zinc/13/70/98/358137098.db2.gz YOOIRUZQSVECBD-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000584720831 358162252 /nfs/dbraw/zinc/16/22/52/358162252.db2.gz XAHQGWZXXWUPJW-ZDUSSCGKSA-N 2 1 236.363 1.126 20 0 BDADMP CSC[C@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000584775303 358175119 /nfs/dbraw/zinc/17/51/19/358175119.db2.gz GLBQNQRCTDWRFC-GFCCVEGCSA-N 2 1 246.420 1.174 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000252689350 366411063 /nfs/dbraw/zinc/41/10/63/366411063.db2.gz QXNFBJPIFKSNDP-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@H+](C/C=C/c1ccccc1)CCC[NH3+] ZINC000227748391 358363071 /nfs/dbraw/zinc/36/30/71/358363071.db2.gz DTCJXRBRQYZPIJ-WEVVVXLNSA-N 2 1 204.317 1.980 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994659 358448496 /nfs/dbraw/zinc/44/84/96/358448496.db2.gz BIJIOPCROIXNGE-HNNXBMFYSA-N 2 1 246.354 1.881 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994659 358448500 /nfs/dbraw/zinc/44/85/00/358448500.db2.gz BIJIOPCROIXNGE-HNNXBMFYSA-N 2 1 246.354 1.881 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](C)CO ZINC000623427466 358436153 /nfs/dbraw/zinc/43/61/53/358436153.db2.gz AQOSHCUVERMWRB-UTUOFQBUSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)N1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000045662954 358564254 /nfs/dbraw/zinc/56/42/54/358564254.db2.gz GIBLSOPNOWAFMN-UHFFFAOYSA-N 2 1 241.423 1.791 20 0 BDADMP CCC1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000042580218 358527674 /nfs/dbraw/zinc/52/76/74/358527674.db2.gz SQJICSKQNFFMIC-WXRRBKDZSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)C(C)C)[NH+](C)C ZINC000129948122 358602923 /nfs/dbraw/zinc/60/29/23/358602923.db2.gz XFBJUXVGMJBEBB-LBPRGKRZSA-N 2 1 243.395 1.029 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130647438 358638840 /nfs/dbraw/zinc/63/88/40/358638840.db2.gz UBIOBESAUSEZGJ-BNOWGMLFSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130647438 358638842 /nfs/dbraw/zinc/63/88/42/358638842.db2.gz UBIOBESAUSEZGJ-BNOWGMLFSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129375564 358585477 /nfs/dbraw/zinc/58/54/77/358585477.db2.gz ZEQLVQKLKQDWLQ-FVCCEPFGSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)CC[N@H+]1C ZINC000129668921 358592489 /nfs/dbraw/zinc/59/24/89/358592489.db2.gz OAWUAXKSRJLLKG-RYUDHWBXSA-N 2 1 222.332 1.894 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CCCOC1 ZINC000049330273 358682718 /nfs/dbraw/zinc/68/27/18/358682718.db2.gz IOZCPMZGLUXLHP-GFCCVEGCSA-N 2 1 223.320 1.208 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccnc1 ZINC000133307929 358750640 /nfs/dbraw/zinc/75/06/40/358750640.db2.gz YEMHXEWIRYCLAM-CYBMUJFWSA-N 2 1 221.348 1.887 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccnc1 ZINC000133307929 358750641 /nfs/dbraw/zinc/75/06/41/358750641.db2.gz YEMHXEWIRYCLAM-CYBMUJFWSA-N 2 1 221.348 1.887 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(O)CCC1 ZINC000133421663 358754671 /nfs/dbraw/zinc/75/46/71/358754671.db2.gz VNLVVVXPBOSUAR-UTUOFQBUSA-N 2 1 226.364 1.220 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCC[C@H]2C[NH3+])c1 ZINC000214125519 358759158 /nfs/dbraw/zinc/75/91/58/358759158.db2.gz XWZWRQSOFMCDMX-LBPRGKRZSA-N 2 1 235.331 1.322 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CO)CC1 ZINC000050104772 358715726 /nfs/dbraw/zinc/71/57/26/358715726.db2.gz FCTKOFDTRORBIY-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCCCCO)CC1 ZINC000051020041 358742516 /nfs/dbraw/zinc/74/25/16/358742516.db2.gz SHQPTMYDXCHYFZ-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCCCCO)CC1 ZINC000051020041 358742521 /nfs/dbraw/zinc/74/25/21/358742521.db2.gz SHQPTMYDXCHYFZ-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000054110299 358852714 /nfs/dbraw/zinc/85/27/14/358852714.db2.gz VPIWQBAQYPIIRB-RWMBFGLXSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000054110299 358852717 /nfs/dbraw/zinc/85/27/17/358852717.db2.gz VPIWQBAQYPIIRB-RWMBFGLXSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000054110299 358852723 /nfs/dbraw/zinc/85/27/23/358852723.db2.gz VPIWQBAQYPIIRB-RWMBFGLXSA-N 2 1 227.396 1.256 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(Cc3ncc[nH]3)CC[C@H]21 ZINC000247949333 359249441 /nfs/dbraw/zinc/24/94/41/359249441.db2.gz DWVKWFIAPVRZEM-NWDGAFQWSA-N 2 1 234.347 1.326 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000247230831 359203694 /nfs/dbraw/zinc/20/36/94/359203694.db2.gz YGXYBQFRVCBFAV-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H](NCCC1=CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423536059 192806029 /nfs/dbraw/zinc/80/60/29/192806029.db2.gz GISGBXCANGHSGD-DGCLKSJQSA-N 2 1 223.364 1.026 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CCSC1 ZINC000580498892 359761732 /nfs/dbraw/zinc/76/17/32/359761732.db2.gz FXGAAHPXNMBLIV-NSHDSACASA-N 2 1 216.394 1.623 20 0 BDADMP CCN(CC[C@@H]1CCC[N@H+]1C)C1COC1 ZINC000451281841 202395529 /nfs/dbraw/zinc/39/55/29/202395529.db2.gz ANMCJRSEEVCKRH-NSHDSACASA-N 2 1 212.337 1.191 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)nc1 ZINC000088135827 359938793 /nfs/dbraw/zinc/93/87/93/359938793.db2.gz IONTYXJHCGTPPS-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)nc1 ZINC000088135827 359938797 /nfs/dbraw/zinc/93/87/97/359938797.db2.gz IONTYXJHCGTPPS-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CC1 ZINC000578838187 366656027 /nfs/dbraw/zinc/65/60/27/366656027.db2.gz UHLQIXBQZALHRE-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CC1 ZINC000578838187 366656032 /nfs/dbraw/zinc/65/60/32/366656032.db2.gz UHLQIXBQZALHRE-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1CC1 ZINC000578838187 366656038 /nfs/dbraw/zinc/65/60/38/366656038.db2.gz UHLQIXBQZALHRE-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1CC1 ZINC000578838187 366656043 /nfs/dbraw/zinc/65/60/43/366656043.db2.gz UHLQIXBQZALHRE-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089139589 359991659 /nfs/dbraw/zinc/99/16/59/359991659.db2.gz OENQHAOQCVKYOV-KGLIPLIRSA-N 3 1 241.423 1.825 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089425418 360019791 /nfs/dbraw/zinc/01/97/91/360019791.db2.gz KEFYJNRRFMVCLE-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@@H](C)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000089425418 360019794 /nfs/dbraw/zinc/01/97/94/360019794.db2.gz KEFYJNRRFMVCLE-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@@H](C)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000089425418 360019798 /nfs/dbraw/zinc/01/97/98/360019798.db2.gz KEFYJNRRFMVCLE-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP C1C[C@H]2C[C@@H]([NH2+]C3CCOCC3)CC[N@H+]2C1 ZINC000090714583 360084970 /nfs/dbraw/zinc/08/49/70/360084970.db2.gz BVZBHRHPPHGKLX-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623474668 360410238 /nfs/dbraw/zinc/41/02/38/360410238.db2.gz LDMZHZKNJYCHBL-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000082584220 491149321 /nfs/dbraw/zinc/14/93/21/491149321.db2.gz UEJIEOJZOVMIMC-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP COC1CCC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629397372 361047530 /nfs/dbraw/zinc/04/75/30/361047530.db2.gz UGHBXGAERSXSMP-IGJPJIBNSA-N 2 1 226.364 1.674 20 0 BDADMP Nc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000629519931 361120690 /nfs/dbraw/zinc/12/06/90/361120690.db2.gz SITUCHVSGSTIJY-CYZMBNFOSA-N 2 1 246.358 1.223 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000629511915 361106038 /nfs/dbraw/zinc/10/60/38/361106038.db2.gz NJZRRDMHNVEJAS-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000629510188 361106894 /nfs/dbraw/zinc/10/68/94/361106894.db2.gz AMOGXBQJYOXMSP-NSHDSACASA-N 2 1 238.306 1.099 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000629510188 361106899 /nfs/dbraw/zinc/10/68/99/361106899.db2.gz AMOGXBQJYOXMSP-NSHDSACASA-N 2 1 238.306 1.099 20 0 BDADMP Cc1cccc2c1C[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])CO2 ZINC000629515982 361109836 /nfs/dbraw/zinc/10/98/36/361109836.db2.gz YOPYWDQCAHZVHD-YUTCNCBUSA-N 2 1 246.354 1.768 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCC[C@H]1C[NH2+]C)C1CC1 ZINC000629513981 361110818 /nfs/dbraw/zinc/11/08/18/361110818.db2.gz NPZOZGRCGVNQFU-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@H]1C[NH2+]C)C1CC1 ZINC000629513981 361110821 /nfs/dbraw/zinc/11/08/21/361110821.db2.gz NPZOZGRCGVNQFU-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cn1cccn1 ZINC000629526905 361132195 /nfs/dbraw/zinc/13/21/95/361132195.db2.gz CZHNJCGMRPHPRZ-GRYCIOLGSA-N 2 1 222.336 1.002 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000629528163 361133000 /nfs/dbraw/zinc/13/30/00/361133000.db2.gz QZRDXIKTXBVWHA-KKJSVHSVSA-N 2 1 212.337 1.282 20 0 BDADMP C[N@@H+](CCO)CCCC[NH+]1CCCCC1 ZINC000640532950 361302265 /nfs/dbraw/zinc/30/22/65/361302265.db2.gz LPZVHTDLWITQEM-UHFFFAOYSA-N 2 1 214.353 1.177 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000622044814 370677351 /nfs/dbraw/zinc/67/73/51/370677351.db2.gz TYVGRBKPIHNVIT-RVMXOQNASA-N 3 1 225.380 1.234 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309788776 491156613 /nfs/dbraw/zinc/15/66/13/491156613.db2.gz UADMZBDWYQCBMQ-LLVKDONJSA-N 2 1 226.364 1.221 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000579341867 366761530 /nfs/dbraw/zinc/76/15/30/366761530.db2.gz BYUVYRCQVJHCNQ-SNVBAGLBSA-N 2 1 225.311 1.871 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429540023 201112160 /nfs/dbraw/zinc/11/21/60/201112160.db2.gz SAGHQGPTVNUJLY-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535901 361397985 /nfs/dbraw/zinc/39/79/85/361397985.db2.gz DHZNECDGRHYESE-IJLUTSLNSA-N 3 1 213.369 1.234 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOC1CCOCC1 ZINC000629537742 361401383 /nfs/dbraw/zinc/40/13/83/361401383.db2.gz QJJJWEKVCQRSKB-LBPRGKRZSA-N 2 1 244.379 1.145 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCOC1 ZINC000629535006 361408446 /nfs/dbraw/zinc/40/84/46/361408446.db2.gz CCLHIELAHRXLNV-XQHKEYJVSA-N 2 1 226.364 1.532 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629543176 361422017 /nfs/dbraw/zinc/42/20/17/361422017.db2.gz VIBRCUXUDLLFBY-RFGFWPKPSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000629547618 361431361 /nfs/dbraw/zinc/43/13/61/361431361.db2.gz LDPPJBZWODSUJB-SQNXGDPESA-N 2 1 224.348 1.284 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542447 361419426 /nfs/dbraw/zinc/41/94/26/361419426.db2.gz ZPBHJIFWRXLNSG-MDZLAQPJSA-N 2 1 222.332 1.941 20 0 BDADMP FCC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629580710 361469869 /nfs/dbraw/zinc/46/98/69/361469869.db2.gz FADQBMAXEHAUNY-QWHCGFSZSA-N 2 1 244.354 1.437 20 0 BDADMP CC[C@H](CC(F)F)C[N@@H+](C)CCOCC[NH3+] ZINC000629581235 361471154 /nfs/dbraw/zinc/47/11/54/361471154.db2.gz SIQYRNDDBDBOQZ-SNVBAGLBSA-N 2 1 238.322 1.575 20 0 BDADMP [NH3+]CCC[N@@H+]1CCc2c(O)cccc2C1 ZINC000629582259 361472372 /nfs/dbraw/zinc/47/23/72/361472372.db2.gz QFSSGCXUBHAVKG-UHFFFAOYSA-N 2 1 206.289 1.099 20 0 BDADMP [NH3+]CCC[N@H+]1CCc2c(O)cccc2C1 ZINC000629582259 361472375 /nfs/dbraw/zinc/47/23/75/361472375.db2.gz QFSSGCXUBHAVKG-UHFFFAOYSA-N 2 1 206.289 1.099 20 0 BDADMP COCC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585219 361474496 /nfs/dbraw/zinc/47/44/96/361474496.db2.gz NODJVGCPFNRYPL-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP COCCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585172 361474503 /nfs/dbraw/zinc/47/45/03/361474503.db2.gz MCEUFXBOGRXTLQ-BETUJISGSA-N 2 1 226.364 1.344 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccncc1C ZINC000629648159 361538746 /nfs/dbraw/zinc/53/87/46/361538746.db2.gz QCBDMQAJRMZWQU-CYBMUJFWSA-N 2 1 221.348 1.997 20 0 BDADMP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000629647856 361539085 /nfs/dbraw/zinc/53/90/85/361539085.db2.gz CDCJKPVNFUIKAP-VXGBXAGGSA-N 2 1 207.321 1.385 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c2)C[C@@]1(C)C[NH3+] ZINC000629648564 361540678 /nfs/dbraw/zinc/54/06/78/361540678.db2.gz QZNAETJZQGNBAY-DGCLKSJQSA-N 2 1 221.348 1.442 20 0 BDADMP C[C@@H]([N@@H+](C)CC[C@H]1CCC[NH+]1C)C(C)(C)O ZINC000448546768 201201802 /nfs/dbraw/zinc/20/18/02/201201802.db2.gz MFMPEHSLLNKQFI-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]([NH+](C)CC[C@H]1CCC[N@@H+]1C)C(C)(C)O ZINC000448546768 201201804 /nfs/dbraw/zinc/20/18/04/201201804.db2.gz MFMPEHSLLNKQFI-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]([NH+](C)CC[C@H]1CCC[N@H+]1C)C(C)(C)O ZINC000448546768 201201808 /nfs/dbraw/zinc/20/18/08/201201808.db2.gz MFMPEHSLLNKQFI-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000629649206 361543620 /nfs/dbraw/zinc/54/36/20/361543620.db2.gz MAUSIXSFSZQWEP-GHMZBOCLSA-N 2 1 238.331 1.786 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccn(C)c2)[C@H]1CC[NH3+] ZINC000629650702 361547790 /nfs/dbraw/zinc/54/77/90/361547790.db2.gz ZTAASMMBWUNKBA-JSGCOSHPSA-N 2 1 235.375 1.974 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000629652671 361551432 /nfs/dbraw/zinc/55/14/32/361551432.db2.gz BWNQORUICKRRMX-UONOGXRCSA-N 2 1 242.407 1.981 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@@H]1[NH3+] ZINC000629651790 361557241 /nfs/dbraw/zinc/55/72/41/361557241.db2.gz JQASNMREZQSPGR-JQWIXIFHSA-N 2 1 207.321 1.194 20 0 BDADMP CC[N@H+](Cc1cnc(C)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000435382740 201267918 /nfs/dbraw/zinc/26/79/18/201267918.db2.gz FGMLNSINJCYHAZ-CQSZACIVSA-N 2 1 248.374 1.749 20 0 BDADMP CC[N@@H+](Cc1cnc(C)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000435382740 201267921 /nfs/dbraw/zinc/26/79/21/201267921.db2.gz FGMLNSINJCYHAZ-CQSZACIVSA-N 2 1 248.374 1.749 20 0 BDADMP C[NH2+]CCC[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000435875665 201291708 /nfs/dbraw/zinc/29/17/08/201291708.db2.gz DVJSXMJLPWYZMM-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP CC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435735451 201286485 /nfs/dbraw/zinc/28/64/85/201286485.db2.gz MZTUTNHLBYYAQN-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435735451 201286489 /nfs/dbraw/zinc/28/64/89/201286489.db2.gz MZTUTNHLBYYAQN-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOc1cccc(F)c1 ZINC000435869468 201290655 /nfs/dbraw/zinc/29/06/55/201290655.db2.gz BXNBJHZBJAKDCP-UHFFFAOYSA-N 2 1 240.322 1.746 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOc1cccc(F)c1 ZINC000435869468 201290658 /nfs/dbraw/zinc/29/06/58/201290658.db2.gz BXNBJHZBJAKDCP-UHFFFAOYSA-N 2 1 240.322 1.746 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000435874148 201292957 /nfs/dbraw/zinc/29/29/57/201292957.db2.gz ZHQBUXRTRYMHTF-UHFFFAOYSA-N 2 1 226.364 1.489 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000435881998 201295617 /nfs/dbraw/zinc/29/56/17/201295617.db2.gz RJMGFOIXLBHMLX-CYBMUJFWSA-N 2 1 236.363 1.265 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000437589854 201359351 /nfs/dbraw/zinc/35/93/51/201359351.db2.gz LBNRVCKJASMIDI-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC[C@@H]1CCOC1)C[C@H]1CCC[N@H+](C)C1 ZINC000437589854 201359353 /nfs/dbraw/zinc/35/93/53/201359353.db2.gz LBNRVCKJASMIDI-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC[C@@H]1CCOC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000437589854 201359356 /nfs/dbraw/zinc/35/93/56/201359356.db2.gz LBNRVCKJASMIDI-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCOC2)CC1 ZINC000437593609 201360972 /nfs/dbraw/zinc/36/09/72/201360972.db2.gz USUDTBJZSIGFSA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCOC2)CC1 ZINC000437593609 201360975 /nfs/dbraw/zinc/36/09/75/201360975.db2.gz USUDTBJZSIGFSA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(C)[nH+]1 ZINC000090795360 363882676 /nfs/dbraw/zinc/88/26/76/363882676.db2.gz KVWITQRRDQIXAV-ZYHUDNBSSA-N 2 1 234.347 1.988 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(C)[nH+]1 ZINC000090795360 363882678 /nfs/dbraw/zinc/88/26/78/363882678.db2.gz KVWITQRRDQIXAV-ZYHUDNBSSA-N 2 1 234.347 1.988 20 0 BDADMP CC[C@]1(C)CN(CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000135677789 364447407 /nfs/dbraw/zinc/44/74/07/364447407.db2.gz XWOJHTKBJPHDDU-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181839455 366850837 /nfs/dbraw/zinc/85/08/37/366850837.db2.gz WTCZQHHFIMKYOF-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181839455 366850842 /nfs/dbraw/zinc/85/08/42/366850842.db2.gz WTCZQHHFIMKYOF-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398996354 364666635 /nfs/dbraw/zinc/66/66/35/364666635.db2.gz ABZANKVCYRDBBM-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)C[NH2+]1 ZINC000398994711 364667029 /nfs/dbraw/zinc/66/70/29/364667029.db2.gz NYJFYALVTUUGMT-WHOHXGKFSA-N 2 1 212.337 1.142 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000573641231 364881113 /nfs/dbraw/zinc/88/11/13/364881113.db2.gz HPAJNSDRJLUCST-IHRRRGAJSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000573570875 364864571 /nfs/dbraw/zinc/86/45/71/364864571.db2.gz NGGRZGOCPKHKIK-VXGBXAGGSA-N 2 1 246.420 1.030 20 0 BDADMP [NH3+]CCC[NH+](CCC[NH3+])Cc1ccccc1 ZINC000021994032 181379513 /nfs/dbraw/zinc/37/95/13/181379513.db2.gz HUWUUMUEMQWJKZ-UHFFFAOYSA-N 3 1 221.348 1.186 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)O ZINC000252217525 541446421 /nfs/dbraw/zinc/44/64/21/541446421.db2.gz ZODRGUIMAKIMTH-GMTAPVOTSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)O ZINC000252217525 541446423 /nfs/dbraw/zinc/44/64/23/541446423.db2.gz ZODRGUIMAKIMTH-GMTAPVOTSA-N 2 1 214.353 1.218 20 0 BDADMP [NH3+]CCC[N@@H+]1CCOc2ccccc2C1 ZINC000063012418 181380872 /nfs/dbraw/zinc/38/08/72/181380872.db2.gz IOBPFAJXJFIVNK-UHFFFAOYSA-N 2 1 206.289 1.230 20 0 BDADMP [NH3+]CCC[N@H+]1CCOc2ccccc2C1 ZINC000063012418 181380873 /nfs/dbraw/zinc/38/08/73/181380873.db2.gz IOBPFAJXJFIVNK-UHFFFAOYSA-N 2 1 206.289 1.230 20 0 BDADMP [NH3+]CCC[N@H+]1CCCc2ccccc2C1 ZINC000062944365 181381108 /nfs/dbraw/zinc/38/11/08/181381108.db2.gz OIURFNARCZHYEU-UHFFFAOYSA-N 2 1 204.317 1.784 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000357071464 181398895 /nfs/dbraw/zinc/39/88/95/181398895.db2.gz CCBXLKNNZAGZFA-AWEZNQCLSA-N 2 1 249.358 1.148 20 0 BDADMP CC[C@H](C)[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000443002575 193010712 /nfs/dbraw/zinc/01/07/12/193010712.db2.gz PHUZDZUKWORACX-DTWKUNHWSA-N 2 1 238.335 1.844 20 0 BDADMP COCC[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000444571273 193050222 /nfs/dbraw/zinc/05/02/22/193050222.db2.gz JFNNZMJBIKVWAN-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP COCC[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000444571273 193050223 /nfs/dbraw/zinc/05/02/23/193050223.db2.gz JFNNZMJBIKVWAN-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP COCCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000575427201 365317223 /nfs/dbraw/zinc/31/72/23/365317223.db2.gz MHNBNLZFKIBMLS-UHFFFAOYSA-N 2 1 225.336 1.321 20 0 BDADMP COCCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000575427201 365317228 /nfs/dbraw/zinc/31/72/28/365317228.db2.gz MHNBNLZFKIBMLS-UHFFFAOYSA-N 2 1 225.336 1.321 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000579580985 366887061 /nfs/dbraw/zinc/88/70/61/366887061.db2.gz LTLHOGHNKICRKT-NEPJUHHUSA-N 2 1 227.396 1.304 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000576099189 365482967 /nfs/dbraw/zinc/48/29/67/365482967.db2.gz GVCDOQBIPDQIQS-GFCCVEGCSA-N 2 1 226.364 1.535 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000380565353 367244427 /nfs/dbraw/zinc/24/44/27/367244427.db2.gz OJDMCLRZBCSMGE-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@H](O)CN(C)CC ZINC000380970780 367326525 /nfs/dbraw/zinc/32/65/25/367326525.db2.gz ALJTXPYELCAPPA-QWHCGFSZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@H](C)C[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000380970780 367326529 /nfs/dbraw/zinc/32/65/29/367326529.db2.gz ALJTXPYELCAPPA-QWHCGFSZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000380970780 367326535 /nfs/dbraw/zinc/32/65/35/367326535.db2.gz ALJTXPYELCAPPA-QWHCGFSZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@H](C)C[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000380970780 367326539 /nfs/dbraw/zinc/32/65/39/367326539.db2.gz ALJTXPYELCAPPA-QWHCGFSZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@H](C)C[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000380970780 367326543 /nfs/dbraw/zinc/32/65/43/367326543.db2.gz ALJTXPYELCAPPA-QWHCGFSZSA-N 2 1 230.396 1.667 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382121508 367488971 /nfs/dbraw/zinc/48/89/71/367488971.db2.gz GLVUNVHEJUBGMO-XQQFMLRXSA-N 2 1 219.332 1.970 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCC[C@@H]3O)C[C@H]12 ZINC000383264902 367609662 /nfs/dbraw/zinc/60/96/62/367609662.db2.gz GLSZTQZNFPHBPQ-HTOAHKCRSA-N 2 1 238.375 1.207 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]CC1 ZINC000383280613 367610889 /nfs/dbraw/zinc/61/08/89/367610889.db2.gz IJBYSJRBHCTZJV-MJBXVCDLSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000383518724 367633580 /nfs/dbraw/zinc/63/35/80/367633580.db2.gz IIEREASEJREYSM-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+](C)CCOCC[NH3+] ZINC000383881613 367657379 /nfs/dbraw/zinc/65/73/79/367657379.db2.gz WIYPVMUQKHPUOK-NSHDSACASA-N 2 1 223.320 1.050 20 0 BDADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000384435159 367691723 /nfs/dbraw/zinc/69/17/23/367691723.db2.gz DQHBUUSFFWORFS-GHMZBOCLSA-N 2 1 216.369 1.323 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)[C@@H](C)O1 ZINC000384527849 367697597 /nfs/dbraw/zinc/69/75/97/367697597.db2.gz CDNIQSNFKVJMFE-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)COCC[N@@H+](C)C1CC([NH3+])C1 ZINC000384721489 367721039 /nfs/dbraw/zinc/72/10/39/367721039.db2.gz HFYQJNNDUVRIQQ-UHFFFAOYSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000384728026 367722043 /nfs/dbraw/zinc/72/20/43/367722043.db2.gz ITVWMNZSRZONAY-WOPDTQHZSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000384728026 367722053 /nfs/dbraw/zinc/72/20/53/367722053.db2.gz ITVWMNZSRZONAY-WOPDTQHZSA-N 2 1 228.380 1.608 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H]1C ZINC000384925808 367758701 /nfs/dbraw/zinc/75/87/01/367758701.db2.gz PRTFOQPPMZWRKC-UPJWGTAASA-N 2 1 228.380 1.872 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000384660305 367713292 /nfs/dbraw/zinc/71/32/92/367713292.db2.gz VWZKBCRDYOEPIF-DMDPSCGWSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H](C)O1 ZINC000385098821 367791054 /nfs/dbraw/zinc/79/10/54/367791054.db2.gz HHWORCLBQKTIBX-POQQGIQPSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](C)O1 ZINC000385098821 367791060 /nfs/dbraw/zinc/79/10/60/367791060.db2.gz HHWORCLBQKTIBX-POQQGIQPSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]([NH2+]CCn1cccn1)[C@H]1CCCC[NH2+]1 ZINC000385988116 367893302 /nfs/dbraw/zinc/89/33/02/367893302.db2.gz ITSFKLXCSHSDQU-VXGBXAGGSA-N 2 1 222.336 1.003 20 0 BDADMP CO[C@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000385991684 367894761 /nfs/dbraw/zinc/89/47/61/367894761.db2.gz FCDHUCOJILQYHX-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@H]1CCCC[NH2+]1 ZINC000386386026 367960094 /nfs/dbraw/zinc/96/00/94/367960094.db2.gz DWJPACUSQAXIRU-YNEHKIRRSA-N 2 1 226.364 1.676 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000581948280 367973647 /nfs/dbraw/zinc/97/36/47/367973647.db2.gz FNJCKOPDYZZKNB-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](CCNC1CC[NH2+]CC1)Cc1ccccc1 ZINC000386921957 368035230 /nfs/dbraw/zinc/03/52/30/368035230.db2.gz RPBJBYNTWWQWBZ-UHFFFAOYSA-N 2 1 247.386 1.460 20 0 BDADMP CN(CC[NH2+]C1CC[NH2+]CC1)Cc1ccccc1 ZINC000386921957 368035235 /nfs/dbraw/zinc/03/52/35/368035235.db2.gz RPBJBYNTWWQWBZ-UHFFFAOYSA-N 2 1 247.386 1.460 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000252775083 368062203 /nfs/dbraw/zinc/06/22/03/368062203.db2.gz JYTSSSUCOZXTHI-DDHJBXDOSA-N 2 1 212.337 1.223 20 0 BDADMP CC[C@H](O)C[NH2+]CCCCn1cc[nH+]c1C ZINC000581998464 368102983 /nfs/dbraw/zinc/10/29/83/368102983.db2.gz KDNUJYOFNYSNEK-LBPRGKRZSA-N 2 1 225.336 1.332 20 0 BDADMP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccn[nH]1 ZINC000387214210 368110664 /nfs/dbraw/zinc/11/06/64/368110664.db2.gz QXSCXFWGYGUXKC-UHFFFAOYSA-N 2 1 224.352 1.620 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537138 368175598 /nfs/dbraw/zinc/17/55/98/368175598.db2.gz XCYXGIUMRDSOJM-CHWSQXEVSA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)C(C)(C)C ZINC000399537138 368175602 /nfs/dbraw/zinc/17/56/02/368175602.db2.gz XCYXGIUMRDSOJM-CHWSQXEVSA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)C(C)(C)C ZINC000399537138 368175610 /nfs/dbraw/zinc/17/56/10/368175610.db2.gz XCYXGIUMRDSOJM-CHWSQXEVSA-N 2 1 244.423 1.913 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537138 368175613 /nfs/dbraw/zinc/17/56/13/368175613.db2.gz XCYXGIUMRDSOJM-CHWSQXEVSA-N 2 1 244.423 1.913 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537138 368175620 /nfs/dbraw/zinc/17/56/20/368175620.db2.gz XCYXGIUMRDSOJM-CHWSQXEVSA-N 2 1 244.423 1.913 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657184 368998235 /nfs/dbraw/zinc/99/82/35/368998235.db2.gz KYKMQIYUBKZVCE-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657098 368998248 /nfs/dbraw/zinc/99/82/48/368998248.db2.gz JTKXDWJMUNYIJL-ZDUSSCGKSA-N 2 1 235.375 1.847 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000631829102 369004034 /nfs/dbraw/zinc/00/40/34/369004034.db2.gz GYEYMLVSUORCFS-SMDDNHRTSA-N 2 1 248.374 1.734 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656314 368993868 /nfs/dbraw/zinc/99/38/68/368993868.db2.gz RVPQXHNMDJEUBI-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656314 368993874 /nfs/dbraw/zinc/99/38/74/368993874.db2.gz RVPQXHNMDJEUBI-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000631836487 369078907 /nfs/dbraw/zinc/07/89/07/369078907.db2.gz ACHFLRCQCBYAOG-CMPLNLGQSA-N 2 1 235.331 1.117 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000631836487 369078912 /nfs/dbraw/zinc/07/89/12/369078912.db2.gz ACHFLRCQCBYAOG-CMPLNLGQSA-N 2 1 235.331 1.117 20 0 BDADMP CC(C)COCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838668 369120217 /nfs/dbraw/zinc/12/02/17/369120217.db2.gz SMWIZYVRIVSOGD-VXGBXAGGSA-N 2 1 214.353 1.186 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC2)C1 ZINC000459729273 203345646 /nfs/dbraw/zinc/34/56/46/203345646.db2.gz IWQPXXKRRPNWGL-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459734136 203347780 /nfs/dbraw/zinc/34/77/80/203347780.db2.gz OEQKSSDJLCEKOY-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CCCOC2)C1 ZINC000459744738 203351401 /nfs/dbraw/zinc/35/14/01/203351401.db2.gz XTLUFZMAESMYOS-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP CC[N@@H+]1CCC[C@H]1CNCc1ccc(=O)[nH]c1 ZINC000631033903 370984497 /nfs/dbraw/zinc/98/44/97/370984497.db2.gz CJUZGEBKOVUMKM-LBPRGKRZSA-N 2 1 235.331 1.361 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNCc1ccc(=O)[nH]c1 ZINC000631033903 370984501 /nfs/dbraw/zinc/98/45/01/370984501.db2.gz CJUZGEBKOVUMKM-LBPRGKRZSA-N 2 1 235.331 1.361 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459791002 203369170 /nfs/dbraw/zinc/36/91/70/203369170.db2.gz RLCMJZKPQSGMOW-AGIUHOORSA-N 2 1 210.365 1.964 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000567899544 326279670 /nfs/dbraw/zinc/27/96/70/326279670.db2.gz DKPGMMGVHRYUTC-GFCCVEGCSA-N 2 1 219.332 1.310 20 0 BDADMP CSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250959321 369624301 /nfs/dbraw/zinc/62/43/01/369624301.db2.gz UDCNLRBJXQEVKE-MNOVXSKESA-N 2 1 214.378 1.566 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699922 370116879 /nfs/dbraw/zinc/11/68/79/370116879.db2.gz WYJDESBQTYMWOO-IJLUTSLNSA-N 2 1 219.332 1.812 20 0 BDADMP CSCC[C@H](C)[N@@H+](C)C[C@H]1CNCCO1 ZINC000253080255 370147115 /nfs/dbraw/zinc/14/71/15/370147115.db2.gz VHVWSPREWZSXEJ-WDEREUQCSA-N 2 1 232.393 1.048 20 0 BDADMP CCc1cc(NCC2([NH2+]C)CCC2)nc(C)[nH+]1 ZINC000621324204 370253614 /nfs/dbraw/zinc/25/36/14/370253614.db2.gz AZKLPXXORQUBTC-UHFFFAOYSA-N 2 1 234.347 1.323 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1CO ZINC000621372527 370309535 /nfs/dbraw/zinc/30/95/35/370309535.db2.gz XBEQLIWEWXGXTF-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1CO ZINC000621372527 370309538 /nfs/dbraw/zinc/30/95/38/370309538.db2.gz XBEQLIWEWXGXTF-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1CO ZINC000621372527 370309546 /nfs/dbraw/zinc/30/95/46/370309546.db2.gz XBEQLIWEWXGXTF-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621372116 370309927 /nfs/dbraw/zinc/30/99/27/370309927.db2.gz PMPRXSGNPJCRQE-KBPBESRZSA-N 2 1 242.407 1.669 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH+](CC)CC ZINC000066124917 370552119 /nfs/dbraw/zinc/55/21/19/370552119.db2.gz QRJMJQBIEBTNHT-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCn1cc(CC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000621775570 370523476 /nfs/dbraw/zinc/52/34/76/370523476.db2.gz SAPPDESVNQCIMK-DGCLKSJQSA-N 2 1 236.363 1.115 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCc1cccnc1)C2 ZINC000621782977 370532025 /nfs/dbraw/zinc/53/20/25/370532025.db2.gz VMCMJXMVDNNZID-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCc1cccnc1)C2 ZINC000621782977 370532028 /nfs/dbraw/zinc/53/20/28/370532028.db2.gz VMCMJXMVDNNZID-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783170 370532434 /nfs/dbraw/zinc/53/24/34/370532434.db2.gz YBOIERITGPXYNS-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000631890332 371004482 /nfs/dbraw/zinc/00/44/82/371004482.db2.gz OVQZZJZXNOCPCV-BFHYXJOUSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000631890332 371004492 /nfs/dbraw/zinc/00/44/92/371004492.db2.gz OVQZZJZXNOCPCV-BFHYXJOUSA-N 3 1 237.391 1.060 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623824044 371108373 /nfs/dbraw/zinc/10/83/73/371108373.db2.gz VMGYQAGMNXPKJI-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccn1 ZINC000391311134 371283638 /nfs/dbraw/zinc/28/36/38/371283638.db2.gz IYZRWHYCDPJVPR-GWCFXTLKSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccn1 ZINC000391311134 371283639 /nfs/dbraw/zinc/28/36/39/371283639.db2.gz IYZRWHYCDPJVPR-GWCFXTLKSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000624120540 371321369 /nfs/dbraw/zinc/32/13/69/371321369.db2.gz BKGAUVXZRUMSKN-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CCOC1CC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000624122054 371323212 /nfs/dbraw/zinc/32/32/12/371323212.db2.gz ITQRXHGHDOQJCH-HSBZDZAISA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000624300601 371468106 /nfs/dbraw/zinc/46/81/06/371468106.db2.gz LZGQFRPPAVMFOM-DHGKCCLASA-N 2 1 238.375 1.626 20 0 BDADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000096544061 371503866 /nfs/dbraw/zinc/50/38/66/371503866.db2.gz ONFNNPAMYXBIHI-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP CCC[N@@H+](C[C@@H]1CCO[C@H]1C)C1CC[NH2+]CC1 ZINC000631822847 372600681 /nfs/dbraw/zinc/60/06/81/372600681.db2.gz QANSYYXTBHQSML-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631823670 372586265 /nfs/dbraw/zinc/58/62/65/372586265.db2.gz KVZDCBNOLPCBEC-NNYUYHANSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000631821697 372596964 /nfs/dbraw/zinc/59/69/64/372596964.db2.gz GFZLPTJRAXNRSS-CMPLNLGQSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000631821697 372596965 /nfs/dbraw/zinc/59/69/65/372596965.db2.gz GFZLPTJRAXNRSS-CMPLNLGQSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1cc(C)c(C[N@H+](C)CCC[NH3+])c(C)n1 ZINC000631821758 372597417 /nfs/dbraw/zinc/59/74/17/372597417.db2.gz IDRFGOFQZZPPLP-UHFFFAOYSA-N 2 1 221.348 1.787 20 0 BDADMP Cc1cc(C)c(C[N@@H+](C)CCC[NH3+])c(C)n1 ZINC000631821758 372597422 /nfs/dbraw/zinc/59/74/22/372597422.db2.gz IDRFGOFQZZPPLP-UHFFFAOYSA-N 2 1 221.348 1.787 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822082 372599385 /nfs/dbraw/zinc/59/93/85/372599385.db2.gz SDIBYOXXGHSFMP-RVMXOQNASA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822082 372599389 /nfs/dbraw/zinc/59/93/89/372599389.db2.gz SDIBYOXXGHSFMP-RVMXOQNASA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631827309 372607867 /nfs/dbraw/zinc/60/78/67/372607867.db2.gz LBFJTUOPEFAJSX-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631827309 372607869 /nfs/dbraw/zinc/60/78/69/372607869.db2.gz LBFJTUOPEFAJSX-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1nccnc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631828674 372608666 /nfs/dbraw/zinc/60/86/66/372608666.db2.gz VHIQJKMIWPIPCD-PWSUYJOCSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631828674 372608672 /nfs/dbraw/zinc/60/86/72/372608672.db2.gz VHIQJKMIWPIPCD-PWSUYJOCSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1nccnc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000631828673 372609108 /nfs/dbraw/zinc/60/91/08/372609108.db2.gz VHIQJKMIWPIPCD-JQWIXIFHSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1nccnc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000631828673 372609113 /nfs/dbraw/zinc/60/91/13/372609113.db2.gz VHIQJKMIWPIPCD-JQWIXIFHSA-N 2 1 234.347 1.202 20 0 BDADMP COCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631859275 372658060 /nfs/dbraw/zinc/65/80/60/372658060.db2.gz LWYYVEOGGMBXHQ-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631859275 372658066 /nfs/dbraw/zinc/65/80/66/372658066.db2.gz LWYYVEOGGMBXHQ-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000631839077 372634143 /nfs/dbraw/zinc/63/41/43/372634143.db2.gz ZXIMTONLODFJMV-DVVUODLYSA-N 2 1 223.320 1.571 20 0 BDADMP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000631839077 372634148 /nfs/dbraw/zinc/63/41/48/372634148.db2.gz ZXIMTONLODFJMV-DVVUODLYSA-N 2 1 223.320 1.571 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000631839070 372634672 /nfs/dbraw/zinc/63/46/72/372634672.db2.gz ZKLOXPIAMNSWPL-ZYHUDNBSSA-N 2 1 222.307 1.852 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000631841280 372638082 /nfs/dbraw/zinc/63/80/82/372638082.db2.gz IRPVMMJMQCGREZ-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000631841280 372638087 /nfs/dbraw/zinc/63/80/87/372638087.db2.gz IRPVMMJMQCGREZ-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H]2C)CC[C@H]1[NH3+] ZINC000631824805 372603791 /nfs/dbraw/zinc/60/37/91/372603791.db2.gz QTTPCWQSEHPCJK-FVCCEPFGSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000631827492 372605824 /nfs/dbraw/zinc/60/58/24/372605824.db2.gz PGVRIGZIKARZFM-HBNTYKKESA-N 2 1 214.353 1.374 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631883900 372679359 /nfs/dbraw/zinc/67/93/59/372679359.db2.gz DAWMGYCYFGWGLD-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886227 372681467 /nfs/dbraw/zinc/68/14/67/372681467.db2.gz GAJFSZBAZIBHNG-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886227 372681470 /nfs/dbraw/zinc/68/14/70/372681470.db2.gz GAJFSZBAZIBHNG-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP c1cncc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891032 372686721 /nfs/dbraw/zinc/68/67/21/372686721.db2.gz XLUCLDJSTFASCY-CABCVRRESA-N 2 1 245.370 1.698 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000069860948 373891727 /nfs/dbraw/zinc/89/17/27/373891727.db2.gz ATQXREDGOJREHP-CMPLNLGQSA-N 2 1 212.337 1.238 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccncc2)C1 ZINC000459730603 206013137 /nfs/dbraw/zinc/01/31/37/206013137.db2.gz KTWLQWXCFWRJSY-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459734497 206013241 /nfs/dbraw/zinc/01/32/41/206013241.db2.gz CMJJGXCPQQZYMX-SYQHCUMBSA-N 2 1 238.375 1.770 20 0 BDADMP Cc1cn[nH]c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459777142 206015492 /nfs/dbraw/zinc/01/54/92/206015492.db2.gz KCNHDIMEWWGJIU-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777142 206015497 /nfs/dbraw/zinc/01/54/97/206015497.db2.gz KCNHDIMEWWGJIU-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459777142 206015500 /nfs/dbraw/zinc/01/55/00/206015500.db2.gz KCNHDIMEWWGJIU-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1cocn1)CC[NH2+]CC2 ZINC000424381455 206038138 /nfs/dbraw/zinc/03/81/38/206038138.db2.gz QVKDDJBVCGFFIP-LLVKDONJSA-N 2 1 235.331 1.639 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cn[nH]c1 ZINC000424378930 206038753 /nfs/dbraw/zinc/03/87/53/206038753.db2.gz UKRRLFHPFWVYKO-FBIMIBRVSA-N 2 1 208.309 1.330 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000450449632 206102955 /nfs/dbraw/zinc/10/29/55/206102955.db2.gz FRASPVFNMOZFRF-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CCOCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250397698 170397918 /nfs/dbraw/zinc/39/79/18/170397918.db2.gz PPAFFHSLSCRNGJ-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000037619268 169007611 /nfs/dbraw/zinc/00/76/11/169007611.db2.gz KLNHHBTWRJJVMD-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP OC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000049474444 183122124 /nfs/dbraw/zinc/12/21/24/183122124.db2.gz WQMHQPZLICOLAY-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310321137 183231473 /nfs/dbraw/zinc/23/14/73/183231473.db2.gz YTHYXNDBKJKCPJ-KBPBESRZSA-N 2 1 238.375 1.506 20 0 BDADMP Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408228 183270743 /nfs/dbraw/zinc/27/07/43/183270743.db2.gz RGRGDDLHVNYKPL-ZDUSSCGKSA-N 2 1 246.354 1.966 20 0 BDADMP CCC[N@@H+](CCOCC[NH3+])C[C@@H]1CCCCO1 ZINC000357087333 169168510 /nfs/dbraw/zinc/16/85/10/169168510.db2.gz MXZGPOIUZMAOAL-ZDUSSCGKSA-N 2 1 244.379 1.243 20 0 BDADMP c1[nH]nc2c1[C@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000367614763 183320483 /nfs/dbraw/zinc/32/04/83/183320483.db2.gz IHNQGROEMNXQSL-CYBMUJFWSA-N 2 1 248.374 1.863 20 0 BDADMP CCC[NH+]1CCC(NCC[N@@H+](C)C(C)C)CC1 ZINC000054110738 169188215 /nfs/dbraw/zinc/18/82/15/169188215.db2.gz CPWKGYUXXSBUFP-UHFFFAOYSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093210640 169189388 /nfs/dbraw/zinc/18/93/88/169189388.db2.gz HYNKZMJBJZAVPH-GXTWGEPZSA-N 3 1 239.407 1.720 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000340420289 169208824 /nfs/dbraw/zinc/20/88/24/169208824.db2.gz WNRYWXICDGZYJV-CYBMUJFWSA-N 2 1 248.374 1.607 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000340420289 169208825 /nfs/dbraw/zinc/20/88/25/169208825.db2.gz WNRYWXICDGZYJV-CYBMUJFWSA-N 2 1 248.374 1.607 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@@H](C)C1 ZINC000223281448 134337867 /nfs/dbraw/zinc/33/78/67/134337867.db2.gz IQCAWIRCGCJZGF-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000224590673 134345059 /nfs/dbraw/zinc/34/50/59/134345059.db2.gz AFWZLSSTASYXDS-QNWHQSFQSA-N 2 1 228.380 1.466 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCCOC)C1 ZINC000226420612 134365746 /nfs/dbraw/zinc/36/57/46/134365746.db2.gz JKTHFQYJNBWODE-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP C[C@H](C[NH2+][C@H](C)c1ccccn1)C[NH+](C)C ZINC000293836821 383871400 /nfs/dbraw/zinc/87/14/00/383871400.db2.gz WTGCVUIYSPJRIH-VXGBXAGGSA-N 2 1 221.348 1.930 20 0 BDADMP COC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)C(C)C ZINC000368103630 383876279 /nfs/dbraw/zinc/87/62/79/383876279.db2.gz XPSASXIQFVEYLX-GWCFXTLKSA-N 2 1 237.347 1.528 20 0 BDADMP CC[C@@H]1C[N@@H+](C)CCN1CCC[NH+]1CCCC1 ZINC000564880801 383935411 /nfs/dbraw/zinc/93/54/11/383935411.db2.gz FFGJPEDYPRYTGH-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC2 ZINC000305130428 384023018 /nfs/dbraw/zinc/02/30/18/384023018.db2.gz MULJAMFQHSTTJJ-UKRRQHHQSA-N 2 1 248.370 1.494 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CO1 ZINC000647217433 384038527 /nfs/dbraw/zinc/03/85/27/384038527.db2.gz QLBQEZWKHXXDGL-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)nc1 ZINC000041214227 384183136 /nfs/dbraw/zinc/18/31/36/384183136.db2.gz DDRNXDGSCKPLFT-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cscn2)CC1 ZINC000082474999 384230472 /nfs/dbraw/zinc/23/04/72/384230472.db2.gz MCDCSJPXCIAWDT-SECBINFHSA-N 2 1 225.361 1.702 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CC23CCOCC3)CC1 ZINC000336536362 384231554 /nfs/dbraw/zinc/23/15/54/384231554.db2.gz DFNAGQFQTCDULS-GFCCVEGCSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401899550 384241385 /nfs/dbraw/zinc/24/13/85/384241385.db2.gz PPAHQHUBRRYUSZ-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CCCc1ccccc1 ZINC000082594576 384238913 /nfs/dbraw/zinc/23/89/13/384238913.db2.gz GNSXBZMJZIDITP-GFCCVEGCSA-N 2 1 206.333 1.898 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCc1ccccc1 ZINC000082594576 384238917 /nfs/dbraw/zinc/23/89/17/384238917.db2.gz GNSXBZMJZIDITP-GFCCVEGCSA-N 2 1 206.333 1.898 20 0 BDADMP COC1(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CCCC1 ZINC000319230000 384215578 /nfs/dbraw/zinc/21/55/78/384215578.db2.gz VBNXAYLFBAIROM-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000319239330 384222111 /nfs/dbraw/zinc/22/21/11/384222111.db2.gz WKJJVQOZZTUGCY-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](CO)c1ccccc1 ZINC000235479936 384246658 /nfs/dbraw/zinc/24/66/58/384246658.db2.gz BIKPSKVNYQBRLS-VHDGCEQUSA-N 2 1 248.370 1.840 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CO1 ZINC000401908750 384246908 /nfs/dbraw/zinc/24/69/08/384246908.db2.gz VKNMIIGKXRZKHR-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597418 384251754 /nfs/dbraw/zinc/25/17/54/384251754.db2.gz DFSLKWZUOWIIEA-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597418 384251758 /nfs/dbraw/zinc/25/17/58/384251758.db2.gz DFSLKWZUOWIIEA-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP CC(C)c1nccn1[C@H]1CCC[N@@H+](CCO)C1 ZINC000378014691 384253473 /nfs/dbraw/zinc/25/34/73/384253473.db2.gz YAJFZVZOGFFKQG-LBPRGKRZSA-N 2 1 237.347 1.636 20 0 BDADMP Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1C ZINC000313354916 384277871 /nfs/dbraw/zinc/27/78/71/384277871.db2.gz MZYYUVSYWHCLFZ-OAHLLOKOSA-N 2 1 248.370 1.853 20 0 BDADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCSC1 ZINC000228551601 384275883 /nfs/dbraw/zinc/27/58/83/384275883.db2.gz IMRRBEIAVBPZLD-GRYCIOLGSA-N 2 1 244.404 1.096 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000083425043 384304151 /nfs/dbraw/zinc/30/41/51/384304151.db2.gz KSTOXNUJLLXLNZ-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCN ZINC000083039057 384278860 /nfs/dbraw/zinc/27/88/60/384278860.db2.gz RYZCTIBSXYQKDO-PWSUYJOCSA-N 2 1 222.307 1.962 20 0 BDADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCN ZINC000083039057 384278864 /nfs/dbraw/zinc/27/88/64/384278864.db2.gz RYZCTIBSXYQKDO-PWSUYJOCSA-N 2 1 222.307 1.962 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCCO1 ZINC000313357063 384279136 /nfs/dbraw/zinc/27/91/36/384279136.db2.gz SUVQLGVAMIOWQA-MNOVXSKESA-N 2 1 248.317 1.471 20 0 BDADMP CSCC[N@@H+](C)CCCn1ccnc1 ZINC000119743581 384299521 /nfs/dbraw/zinc/29/95/21/384299521.db2.gz UTNHOBOAQOZWEA-UHFFFAOYSA-N 2 1 213.350 1.568 20 0 BDADMP Clc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000095069841 384335038 /nfs/dbraw/zinc/33/50/38/384335038.db2.gz QYEILNCZKVITGJ-JTQLQIEISA-N 2 1 239.750 1.824 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000228860023 384346713 /nfs/dbraw/zinc/34/67/13/384346713.db2.gz WWAVGCQPHZEXHV-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000168928724 384355047 /nfs/dbraw/zinc/35/50/47/384355047.db2.gz JKKPCTSJCNICJL-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](CCOCC(F)(F)F)C1 ZINC000235746245 384417558 /nfs/dbraw/zinc/41/75/58/384417558.db2.gz DBPQUBHQUABHLN-SECBINFHSA-N 2 1 240.269 1.236 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000235746245 384417561 /nfs/dbraw/zinc/41/75/61/384417561.db2.gz DBPQUBHQUABHLN-SECBINFHSA-N 2 1 240.269 1.236 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])on1 ZINC000084221107 384377822 /nfs/dbraw/zinc/37/78/22/384377822.db2.gz HHGRKWCNOMCUQE-MWLCHTKSSA-N 2 1 209.293 1.200 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084215640 384378024 /nfs/dbraw/zinc/37/80/24/384378024.db2.gz QGEXMVZPGGJRAZ-RYUDHWBXSA-N 3 1 213.369 1.045 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccoc1 ZINC000566087703 384389729 /nfs/dbraw/zinc/38/97/29/384389729.db2.gz BUFWIOKYZFOCNB-QWRGUYRKSA-N 2 1 208.305 1.930 20 0 BDADMP CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000146997692 384447433 /nfs/dbraw/zinc/44/74/33/384447433.db2.gz YPMWDTKLXRNJEY-OAHLLOKOSA-N 2 1 248.370 1.575 20 0 BDADMP CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000146997692 384447440 /nfs/dbraw/zinc/44/74/40/384447440.db2.gz YPMWDTKLXRNJEY-OAHLLOKOSA-N 2 1 248.370 1.575 20 0 BDADMP CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000146997692 384447442 /nfs/dbraw/zinc/44/74/42/384447442.db2.gz YPMWDTKLXRNJEY-OAHLLOKOSA-N 2 1 248.370 1.575 20 0 BDADMP CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000146997692 384447444 /nfs/dbraw/zinc/44/74/44/384447444.db2.gz YPMWDTKLXRNJEY-OAHLLOKOSA-N 2 1 248.370 1.575 20 0 BDADMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000647513976 384428418 /nfs/dbraw/zinc/42/84/18/384428418.db2.gz ZLYGULLJDAXEEN-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)O1 ZINC000148832964 384473426 /nfs/dbraw/zinc/47/34/26/384473426.db2.gz UOSWVQVZQOZHBW-FDYHWXHSSA-N 2 1 226.364 1.626 20 0 BDADMP c1cnn(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150831529 384509742 /nfs/dbraw/zinc/50/97/42/384509742.db2.gz DCMAPXJVAVBFSH-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP c1cnn(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150831529 384509745 /nfs/dbraw/zinc/50/97/45/384509745.db2.gz DCMAPXJVAVBFSH-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590674 384518922 /nfs/dbraw/zinc/51/89/22/384518922.db2.gz PTPCHCLMAWZAIG-NXEZZACHSA-N 2 1 200.351 1.305 20 0 BDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1CCC1 ZINC000161798929 384528226 /nfs/dbraw/zinc/52/82/26/384528226.db2.gz VUXSXAOFLHNNPJ-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000647179659 384531244 /nfs/dbraw/zinc/53/12/44/384531244.db2.gz KCGNELDTOIMMPQ-MCIONIFRSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)OCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000171498918 384590318 /nfs/dbraw/zinc/59/03/18/384590318.db2.gz GOAKGBQHRFEVNZ-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCn2ccnc2)CCS1 ZINC000162090129 384573619 /nfs/dbraw/zinc/57/36/19/384573619.db2.gz HUAPZWYLCCOHOU-GFCCVEGCSA-N 2 1 239.388 1.957 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066877 384580384 /nfs/dbraw/zinc/58/03/84/384580384.db2.gz UTIMYLIKHVYOMG-KBPBESRZSA-N 2 1 248.374 1.265 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])o1 ZINC000517935776 384583109 /nfs/dbraw/zinc/58/31/09/384583109.db2.gz FTTBYJYPPKJETH-IUCAKERBSA-N 2 1 240.303 1.282 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1(C)CC1 ZINC000151375633 384567176 /nfs/dbraw/zinc/56/71/76/384567176.db2.gz QLINOMJDPSBVEB-LBPRGKRZSA-N 2 1 240.391 1.611 20 0 BDADMP CCCC[N@H+](CCO)CCn1cc[nH+]c1C ZINC000050106258 384595422 /nfs/dbraw/zinc/59/54/22/384595422.db2.gz YCIRALOQWDMFGM-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP CCCC[N@@H+](CCO)CCn1cc[nH+]c1C ZINC000050106258 384595431 /nfs/dbraw/zinc/59/54/31/384595431.db2.gz YCIRALOQWDMFGM-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP C[C@@]1(O)CCC[N@@H+](CCCn2ccnc2)C1 ZINC000162522747 384638724 /nfs/dbraw/zinc/63/87/24/384638724.db2.gz YSDOULNPIYIFFN-GFCCVEGCSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000647534442 384646865 /nfs/dbraw/zinc/64/68/65/384646865.db2.gz NLYSCCGWGGVITR-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000647534442 384646870 /nfs/dbraw/zinc/64/68/70/384646870.db2.gz NLYSCCGWGGVITR-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000647534594 384647142 /nfs/dbraw/zinc/64/71/42/384647142.db2.gz RHIUNAJFMRWLPT-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000647534594 384647146 /nfs/dbraw/zinc/64/71/46/384647146.db2.gz RHIUNAJFMRWLPT-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000044534690 384658753 /nfs/dbraw/zinc/65/87/53/384658753.db2.gz GTVWZUCUVJFKFH-CYBMUJFWSA-N 2 1 234.343 1.824 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000044534690 384658763 /nfs/dbraw/zinc/65/87/63/384658763.db2.gz GTVWZUCUVJFKFH-CYBMUJFWSA-N 2 1 234.343 1.824 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000647536544 384660104 /nfs/dbraw/zinc/66/01/04/384660104.db2.gz BJXNPWLVPDLBIW-CQSZACIVSA-N 2 1 244.342 1.505 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000647536544 384660107 /nfs/dbraw/zinc/66/01/07/384660107.db2.gz BJXNPWLVPDLBIW-CQSZACIVSA-N 2 1 244.342 1.505 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CCSCC2)C[NH2+]1 ZINC000306686083 384660925 /nfs/dbraw/zinc/66/09/25/384660925.db2.gz JULUPLWTVGSGGB-ONGXEEELSA-N 2 1 214.378 1.612 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000564823878 384661241 /nfs/dbraw/zinc/66/12/41/384661241.db2.gz RPGSSXKYNXBGJK-GHMZBOCLSA-N 2 1 224.352 1.679 20 0 BDADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000449606519 384700781 /nfs/dbraw/zinc/70/07/81/384700781.db2.gz YXUFZVXCNUDFLZ-GVXVVHGQSA-N 2 1 249.358 1.141 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543235 384713298 /nfs/dbraw/zinc/71/32/98/384713298.db2.gz JTMPWXFWGRHZDY-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000647546230 384729999 /nfs/dbraw/zinc/72/99/99/384729999.db2.gz GEWQWGFMUPTGCZ-AAVRWANBSA-N 3 1 237.391 1.106 20 0 BDADMP CCC(N)(CC)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546239 384731070 /nfs/dbraw/zinc/73/10/70/384731070.db2.gz GLDRAKBMGBRFKC-YNEHKIRRSA-N 2 1 239.407 1.482 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000234695686 384735923 /nfs/dbraw/zinc/73/59/23/384735923.db2.gz KPZQSSCSJJFETA-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243816 384738472 /nfs/dbraw/zinc/73/84/72/384738472.db2.gz HPZCPULEFGPAFR-NWDGAFQWSA-N 2 1 214.353 1.200 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647552373 384758574 /nfs/dbraw/zinc/75/85/74/384758574.db2.gz YBBGKVHEDLLMIL-DHGKCCLASA-N 2 1 237.391 1.234 20 0 BDADMP Cc1ccc(C[N@@H+](CCC[NH3+])CC2CC2)cn1 ZINC000647552828 384762691 /nfs/dbraw/zinc/76/26/91/384762691.db2.gz ZKNPTCKSMQSMCX-UHFFFAOYSA-N 2 1 233.359 1.951 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423358837 384831410 /nfs/dbraw/zinc/83/14/10/384831410.db2.gz CENPAJAVCWZBCI-SDDRHHMPSA-N 2 1 234.347 1.706 20 0 BDADMP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000423358595 384833246 /nfs/dbraw/zinc/83/32/46/384833246.db2.gz BWUNWJBSYKKCDH-HBNTYKKESA-N 2 1 234.347 1.415 20 0 BDADMP CC(C)CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077339226 384872231 /nfs/dbraw/zinc/87/22/31/384872231.db2.gz SWQTUJYQFGIOMJ-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+](CC)CCOCC[NH2+]Cc1ccon1 ZINC000634975965 384854256 /nfs/dbraw/zinc/85/42/56/384854256.db2.gz KPYZWDIYDQVZAF-UHFFFAOYSA-N 2 1 241.335 1.123 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000105442758 384867100 /nfs/dbraw/zinc/86/71/00/384867100.db2.gz IDNPKIPLWQGLFE-JTQLQIEISA-N 2 1 247.346 1.649 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000156783752 384957756 /nfs/dbraw/zinc/95/77/56/384957756.db2.gz BYFRJQGZPSPSDW-WUHRBBMRSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000306016296 384919069 /nfs/dbraw/zinc/91/90/69/384919069.db2.gz RYPDKCRVIWFVOZ-HZSPNIEDSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](C[NH2+]Cc1ccccn1)C[NH+]1CCCC1 ZINC000057994209 384976520 /nfs/dbraw/zinc/97/65/20/384976520.db2.gz BDBBSZDZJCZQED-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000307278666 384980125 /nfs/dbraw/zinc/98/01/25/384980125.db2.gz VCMWWPNJSUGHCZ-AXFHLTTASA-N 2 1 214.378 1.612 20 0 BDADMP CSCC[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000156905040 385022204 /nfs/dbraw/zinc/02/22/04/385022204.db2.gz TUXUIMGAVMNRTC-JTQLQIEISA-N 2 1 220.382 1.035 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000310367239 385007107 /nfs/dbraw/zinc/00/71/07/385007107.db2.gz WNBJQRLDPRZVHT-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000226398181 385008823 /nfs/dbraw/zinc/00/88/23/385008823.db2.gz LPCNMDHMVCPNIL-ZDUSSCGKSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000647244198 385049962 /nfs/dbraw/zinc/04/99/62/385049962.db2.gz WAUHZZBLNDFDEQ-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccn1 ZINC000404765028 385054653 /nfs/dbraw/zinc/05/46/53/385054653.db2.gz FRHZUYBYFKBPJM-MVWJERBFSA-N 2 1 219.332 1.858 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000086875301 385057757 /nfs/dbraw/zinc/05/77/57/385057757.db2.gz OJZRXKPZQRWLMU-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1cccc(N2CCC([NH+](C)C)CC2)[nH+]1 ZINC000157041953 385059459 /nfs/dbraw/zinc/05/94/59/385059459.db2.gz SSISYMNMKFEDDB-UHFFFAOYSA-N 2 1 219.332 1.920 20 0 BDADMP CC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150842442 385067517 /nfs/dbraw/zinc/06/75/17/385067517.db2.gz VMLROBZCUPYJRU-ZDUSSCGKSA-N 2 1 224.348 1.383 20 0 BDADMP CC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150842442 385067521 /nfs/dbraw/zinc/06/75/21/385067521.db2.gz VMLROBZCUPYJRU-ZDUSSCGKSA-N 2 1 224.348 1.383 20 0 BDADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310403646 385043569 /nfs/dbraw/zinc/04/35/69/385043569.db2.gz LFZDCBIZEWOIRL-MJBXVCDLSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1O ZINC000189290012 385139466 /nfs/dbraw/zinc/13/94/66/385139466.db2.gz LVWXDBGESYONLL-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@@H]1O ZINC000189290012 385139471 /nfs/dbraw/zinc/13/94/71/385139471.db2.gz LVWXDBGESYONLL-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@@H]1O ZINC000189290012 385139478 /nfs/dbraw/zinc/13/94/78/385139478.db2.gz LVWXDBGESYONLL-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C1CC[NH+](C)CC1 ZINC000308834467 385201863 /nfs/dbraw/zinc/20/18/63/385201863.db2.gz HOBOEJITUFAPLR-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540413 385157952 /nfs/dbraw/zinc/15/79/52/385157952.db2.gz WWZYGKBGEIAKAZ-ZIAGYGMSSA-N 2 1 233.359 1.673 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCOC3)C2)C1 ZINC000644784224 385169252 /nfs/dbraw/zinc/16/92/52/385169252.db2.gz WKKJNCGJSSBYPI-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCOC3)C2)C1 ZINC000644784224 385169259 /nfs/dbraw/zinc/16/92/59/385169259.db2.gz WKKJNCGJSSBYPI-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCOC3)C2)C1 ZINC000644784224 385169262 /nfs/dbraw/zinc/16/92/62/385169262.db2.gz WKKJNCGJSSBYPI-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000157430826 385177408 /nfs/dbraw/zinc/17/74/08/385177408.db2.gz LZJVEAQDUAAAMB-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000157430826 385177418 /nfs/dbraw/zinc/17/74/18/385177418.db2.gz LZJVEAQDUAAAMB-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164662461 385223332 /nfs/dbraw/zinc/22/33/32/385223332.db2.gz XVGASSZFNNERDX-RYUDHWBXSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164662343 385223968 /nfs/dbraw/zinc/22/39/68/385223968.db2.gz XVGASSZFNNERDX-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CCOC1 ZINC000449781621 385226454 /nfs/dbraw/zinc/22/64/54/385226454.db2.gz IXPUPUINWFKMND-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CCOC1 ZINC000449781621 385226458 /nfs/dbraw/zinc/22/64/58/385226458.db2.gz IXPUPUINWFKMND-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000108323998 385233406 /nfs/dbraw/zinc/23/34/06/385233406.db2.gz CGECBUXDRCIOCS-CHWSQXEVSA-N 2 1 210.365 1.964 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000336352566 385240352 /nfs/dbraw/zinc/24/03/52/385240352.db2.gz YMWWKQCRULNQHY-GFCCVEGCSA-N 2 1 224.348 1.405 20 0 BDADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000050228053 385310224 /nfs/dbraw/zinc/31/02/24/385310224.db2.gz UJVBWLZXYOCYMM-YPMHNXCESA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000050228053 385310227 /nfs/dbraw/zinc/31/02/27/385310227.db2.gz UJVBWLZXYOCYMM-YPMHNXCESA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCSCCCO ZINC000167392774 385311907 /nfs/dbraw/zinc/31/19/07/385311907.db2.gz JINLJPYSDZXLFT-RYUDHWBXSA-N 2 1 246.420 1.032 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000299894899 385268962 /nfs/dbraw/zinc/26/89/62/385268962.db2.gz BVKWSKHIMZGGMB-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP CC[NH+]1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000344294637 385272010 /nfs/dbraw/zinc/27/20/10/385272010.db2.gz JITOKNWOCVSEJI-UHFFFAOYSA-N 3 1 237.391 1.322 20 0 BDADMP CCN1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000344294637 385272019 /nfs/dbraw/zinc/27/20/19/385272019.db2.gz JITOKNWOCVSEJI-UHFFFAOYSA-N 2 1 237.391 1.322 20 0 BDADMP CCN1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000344294637 385272024 /nfs/dbraw/zinc/27/20/24/385272024.db2.gz JITOKNWOCVSEJI-UHFFFAOYSA-N 2 1 237.391 1.322 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)nc2)C1 ZINC000158083746 385339978 /nfs/dbraw/zinc/33/99/78/385339978.db2.gz PIIMUPBJFROGHE-CYBMUJFWSA-N 2 1 249.358 1.522 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)nc2)C1 ZINC000158083746 385339982 /nfs/dbraw/zinc/33/99/82/385339982.db2.gz PIIMUPBJFROGHE-CYBMUJFWSA-N 2 1 249.358 1.522 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000309024813 385366552 /nfs/dbraw/zinc/36/65/52/385366552.db2.gz ZHTXWWUQZAEUMF-CMPLNLGQSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000309024813 385366555 /nfs/dbraw/zinc/36/65/55/385366555.db2.gz ZHTXWWUQZAEUMF-CMPLNLGQSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cnc3ccccn23)CC[C@H]1[NH3+] ZINC000647496480 385387897 /nfs/dbraw/zinc/38/78/97/385387897.db2.gz HPRAEYGFYOOVRJ-DGCLKSJQSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)CC[C@H]1[NH3+] ZINC000647496480 385387901 /nfs/dbraw/zinc/38/79/01/385387901.db2.gz HPRAEYGFYOOVRJ-DGCLKSJQSA-N 2 1 244.342 1.503 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647498836 385421971 /nfs/dbraw/zinc/42/19/71/385421971.db2.gz RVFXADAVONOKLM-CHWSQXEVSA-N 3 1 225.380 1.045 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000295259645 385508166 /nfs/dbraw/zinc/50/81/66/385508166.db2.gz UYURAYOLGBLQFF-CKYFFXLPSA-N 2 1 223.320 1.347 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000302338737 385515491 /nfs/dbraw/zinc/51/54/91/385515491.db2.gz OAGSILISLQGWTI-CYBMUJFWSA-N 3 1 241.423 1.696 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257705474 385490027 /nfs/dbraw/zinc/49/00/27/385490027.db2.gz RCVVBISYTBQCNZ-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C[NH+](C)[C@H](C(=O)NCCCC[NH3+])c1ccccc1 ZINC000181042370 385561835 /nfs/dbraw/zinc/56/18/35/385561835.db2.gz CKKCFYMNICZEMK-ZDUSSCGKSA-N 2 1 249.358 1.144 20 0 BDADMP CC[NH+](CC)CCN1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000365008281 385563568 /nfs/dbraw/zinc/56/35/68/385563568.db2.gz KJZDYQLGXNEBFB-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108283653 385629975 /nfs/dbraw/zinc/62/99/75/385629975.db2.gz KCAAYDNUTAIHEV-CHWSQXEVSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000108283653 385629983 /nfs/dbraw/zinc/62/99/83/385629983.db2.gz KCAAYDNUTAIHEV-CHWSQXEVSA-N 2 1 248.374 1.743 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000414852235 385678283 /nfs/dbraw/zinc/67/82/83/385678283.db2.gz VUGOTMHIEZWMSD-LLVKDONJSA-N 2 1 224.323 1.956 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853411 385688449 /nfs/dbraw/zinc/68/84/49/385688449.db2.gz SINIOBBQZSYJCN-WCQYABFASA-N 2 1 228.380 1.909 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122610368 385706047 /nfs/dbraw/zinc/70/60/47/385706047.db2.gz ODZXVPNLYJBYIS-MNOVXSKESA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCOCC1 ZINC000414856384 385712472 /nfs/dbraw/zinc/71/24/72/385712472.db2.gz YUBLRZDLUMHGAW-VXGBXAGGSA-N 2 1 214.353 1.519 20 0 BDADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000336654985 385745451 /nfs/dbraw/zinc/74/54/51/385745451.db2.gz HCWQCIGWDCINOU-ZDUSSCGKSA-N 2 1 226.364 1.628 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000309626348 385754482 /nfs/dbraw/zinc/75/44/82/385754482.db2.gz GOPSJNAPYYUDTH-JHJVBQTASA-N 2 1 228.380 1.874 20 0 BDADMP CC[N@@H+](C[C@@H](O)CN(C)C1CC1)C(C)C ZINC000336699051 385755749 /nfs/dbraw/zinc/75/57/49/385755749.db2.gz OTPZAXSQSJZJNE-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000336699051 385755752 /nfs/dbraw/zinc/75/57/52/385755752.db2.gz OTPZAXSQSJZJNE-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000336699051 385755758 /nfs/dbraw/zinc/75/57/58/385755758.db2.gz OTPZAXSQSJZJNE-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000336699051 385755763 /nfs/dbraw/zinc/75/57/63/385755763.db2.gz OTPZAXSQSJZJNE-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000336699051 385755767 /nfs/dbraw/zinc/75/57/67/385755767.db2.gz OTPZAXSQSJZJNE-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000062051470 385761319 /nfs/dbraw/zinc/76/13/19/385761319.db2.gz DJUBIASHWQESKM-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000062051470 385761320 /nfs/dbraw/zinc/76/13/20/385761320.db2.gz DJUBIASHWQESKM-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000310972362 385777712 /nfs/dbraw/zinc/77/77/12/385777712.db2.gz RLYOGDNZKLGVFY-UONOGXRCSA-N 2 1 248.374 1.416 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1c(C)nc2ccccn21 ZINC000414857291 385727309 /nfs/dbraw/zinc/72/73/09/385727309.db2.gz CNOLCKNNLMPPHE-UHFFFAOYSA-N 2 1 232.331 1.342 20 0 BDADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)C[NH3+] ZINC000414947344 385803954 /nfs/dbraw/zinc/80/39/54/385803954.db2.gz UYJDWCOLJGAFPU-MNOVXSKESA-N 2 1 246.358 1.821 20 0 BDADMP CSC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000186859638 385807203 /nfs/dbraw/zinc/80/72/03/385807203.db2.gz JVPGZVUUCHPRCQ-GFCCVEGCSA-N 2 1 228.405 1.813 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000186859621 385807386 /nfs/dbraw/zinc/80/73/86/385807386.db2.gz JVPGZVUUCHPRCQ-LBPRGKRZSA-N 2 1 228.405 1.813 20 0 BDADMP CC[C@@H](C[NH+]1CCC([NH+]2CCCC2)CC1)OC ZINC000412976995 385823464 /nfs/dbraw/zinc/82/34/64/385823464.db2.gz KZUOZKGRARXSQT-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCSC1 ZINC000162653814 385826475 /nfs/dbraw/zinc/82/64/75/385826475.db2.gz YFDRDLDEPYSRBN-NWDGAFQWSA-N 2 1 228.405 1.908 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCSC1 ZINC000162653814 385826478 /nfs/dbraw/zinc/82/64/78/385826478.db2.gz YFDRDLDEPYSRBN-NWDGAFQWSA-N 2 1 228.405 1.908 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCSC1 ZINC000162653814 385826481 /nfs/dbraw/zinc/82/64/81/385826481.db2.gz YFDRDLDEPYSRBN-NWDGAFQWSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)[C@H](C)[NH3+] ZINC000521434456 385830066 /nfs/dbraw/zinc/83/00/66/385830066.db2.gz ZKPLHHSKPCHWGM-QJPTWQEYSA-N 2 1 241.379 1.103 20 0 BDADMP CCCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336716975 385836174 /nfs/dbraw/zinc/83/61/74/385836174.db2.gz QGTYWFZOCFTQHB-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336716975 385836178 /nfs/dbraw/zinc/83/61/78/385836178.db2.gz QGTYWFZOCFTQHB-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CCCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000336716975 385836181 /nfs/dbraw/zinc/83/61/81/385836181.db2.gz QGTYWFZOCFTQHB-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000336716975 385836186 /nfs/dbraw/zinc/83/61/86/385836186.db2.gz QGTYWFZOCFTQHB-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@H]2CCO2)CC[N@@H+]1C ZINC000638115488 385851971 /nfs/dbraw/zinc/85/19/71/385851971.db2.gz DDWKGGWHPBKKEQ-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@H]2CCO2)CC[N@H+]1C ZINC000638115488 385851974 /nfs/dbraw/zinc/85/19/74/385851974.db2.gz DDWKGGWHPBKKEQ-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCC[C@H]2CCO2)CC[NH+]1C ZINC000638115488 385851979 /nfs/dbraw/zinc/85/19/79/385851979.db2.gz DDWKGGWHPBKKEQ-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC[C@H]2CCO2)CC[NH+]1C ZINC000638115488 385851980 /nfs/dbraw/zinc/85/19/80/385851980.db2.gz DDWKGGWHPBKKEQ-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP COc1cccc(OCC[N@@H+](C)CCC[NH3+])c1 ZINC000647847540 385899380 /nfs/dbraw/zinc/89/93/80/385899380.db2.gz RZMOVZUJLVOYFE-UHFFFAOYSA-N 2 1 238.331 1.355 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000336721740 385906114 /nfs/dbraw/zinc/90/61/14/385906114.db2.gz AAGNSYZVLWWVEK-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000336721740 385906118 /nfs/dbraw/zinc/90/61/18/385906118.db2.gz AAGNSYZVLWWVEK-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336741735 385907587 /nfs/dbraw/zinc/90/75/87/385907587.db2.gz NLSXHWSYAZHCBI-AVGNSLFASA-N 2 1 228.380 1.325 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000335032484 385922032 /nfs/dbraw/zinc/92/20/32/385922032.db2.gz ZHGDOHYJZAEOKC-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP CO[C@H](C)C[N@@H+](CC1CC[NH2+]CC1)C(C)C ZINC000160946037 385925590 /nfs/dbraw/zinc/92/55/90/385925590.db2.gz RMAJQBJXXOZXGH-GFCCVEGCSA-N 2 1 228.380 1.731 20 0 BDADMP C([C@@H]1CCOC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815130 385868377 /nfs/dbraw/zinc/86/83/77/385868377.db2.gz QEXXVNPBQSTEPW-NSHDSACASA-N 2 1 224.348 1.239 20 0 BDADMP COCCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814844 385868502 /nfs/dbraw/zinc/86/85/02/385868502.db2.gz IHXLJXUPKPLBCZ-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP CCN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335019207 385977613 /nfs/dbraw/zinc/97/76/13/385977613.db2.gz LUKIJDIPZXASIT-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335019207 385977618 /nfs/dbraw/zinc/97/76/18/385977618.db2.gz LUKIJDIPZXASIT-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP COc1ccncc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311023292 385987164 /nfs/dbraw/zinc/98/71/64/385987164.db2.gz OSGZTLVYCKKHST-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP COc1ccncc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311023292 385987171 /nfs/dbraw/zinc/98/71/71/385987171.db2.gz OSGZTLVYCKKHST-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP CCOC[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000189359119 385989015 /nfs/dbraw/zinc/98/90/15/385989015.db2.gz QEPKTFABFFPSFJ-ZDUSSCGKSA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)CCOC ZINC000338239107 385931011 /nfs/dbraw/zinc/93/10/11/385931011.db2.gz ZAUCQLUAQKKXGM-UHFFFAOYSA-N 2 1 202.342 1.297 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CCOC ZINC000338239107 385931021 /nfs/dbraw/zinc/93/10/21/385931021.db2.gz ZAUCQLUAQKKXGM-UHFFFAOYSA-N 2 1 202.342 1.297 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000338281967 385948756 /nfs/dbraw/zinc/94/87/56/385948756.db2.gz NWXWLUBBDCGSDJ-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000335015803 385973810 /nfs/dbraw/zinc/97/38/10/385973810.db2.gz CBMJHYJPFADUTI-ZDUSSCGKSA-N 3 1 237.391 1.204 20 0 BDADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000295253400 385999025 /nfs/dbraw/zinc/99/90/25/385999025.db2.gz ZILUBEVBFJYJPF-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(COC)c1 ZINC000414973176 385999522 /nfs/dbraw/zinc/99/95/22/385999522.db2.gz BWJVXKKTKHAYFB-ZDUSSCGKSA-N 2 1 222.332 1.660 20 0 BDADMP CN(CC[NH+]1CCCC1)C[C@H]1CCC[N@H+]1C ZINC000643256095 386000673 /nfs/dbraw/zinc/00/06/73/386000673.db2.gz QZVAOMCRCBKOIX-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000309504240 386013424 /nfs/dbraw/zinc/01/34/24/386013424.db2.gz MOAJWTLPQBCLRA-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCC(F)(F)C1 ZINC000336753425 386024344 /nfs/dbraw/zinc/02/43/44/386024344.db2.gz WHUOGMQLKARIIQ-ZJUUUORDSA-N 2 1 236.306 1.063 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414978016 386036077 /nfs/dbraw/zinc/03/60/77/386036077.db2.gz KXTUXAUWKUKBET-ZDUSSCGKSA-N 2 1 244.342 1.699 20 0 BDADMP CCc1nocc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000334428181 386037577 /nfs/dbraw/zinc/03/75/77/386037577.db2.gz XWNUXDOMUSRHCI-PHIMTYICSA-N 2 1 235.331 1.230 20 0 BDADMP CCc1cnc(C[NH2+][C@@H](C)CC[NH3+])s1 ZINC000414885140 386057216 /nfs/dbraw/zinc/05/72/16/386057216.db2.gz BOZHLJQHGLMVSD-QMMMGPOBSA-N 2 1 213.350 1.532 20 0 BDADMP CCSCC[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000336749562 385996400 /nfs/dbraw/zinc/99/64/00/385996400.db2.gz UDQNAJZDSKRKKT-NSHDSACASA-N 2 1 234.409 1.425 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000414664087 386105856 /nfs/dbraw/zinc/10/58/56/386105856.db2.gz SYMOOAKSTVIFGQ-LOWDOPEQSA-N 2 1 225.380 1.044 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)COC(C)C ZINC000336738628 386106141 /nfs/dbraw/zinc/10/61/41/386106141.db2.gz KLGHRJSFWCRZNU-LLVKDONJSA-N 2 1 225.336 1.595 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652656 386076186 /nfs/dbraw/zinc/07/61/86/386076186.db2.gz DQNVBGDMMDFUER-FQUUOJAGSA-N 3 1 237.391 1.201 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652656 386076192 /nfs/dbraw/zinc/07/61/92/386076192.db2.gz DQNVBGDMMDFUER-FQUUOJAGSA-N 3 1 237.391 1.201 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414660318 386091403 /nfs/dbraw/zinc/09/14/03/386091403.db2.gz MPJQHDPHTXRTCH-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414660318 386091413 /nfs/dbraw/zinc/09/14/13/386091413.db2.gz MPJQHDPHTXRTCH-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CCN(C)c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cn1 ZINC000414888581 386099460 /nfs/dbraw/zinc/09/94/60/386099460.db2.gz KFONNGOEPUMYOE-CYBMUJFWSA-N 2 1 248.374 1.365 20 0 BDADMP c1cc(CCC[NH2+][C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000414888499 386100009 /nfs/dbraw/zinc/10/00/09/386100009.db2.gz SAPNWOGZIRYFHP-AWEZNQCLSA-N 2 1 246.354 1.506 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414991958 386152278 /nfs/dbraw/zinc/15/22/78/386152278.db2.gz BIGLPLKCRJFXST-AVGNSLFASA-N 2 1 227.396 1.467 20 0 BDADMP CCC[N@H+](CCO)C[C@H]([NH3+])CC(C)C ZINC000414679965 386162118 /nfs/dbraw/zinc/16/21/18/386162118.db2.gz MMRFJUPGTOKWSA-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP CCC[N@@H+](CCO)C[C@H]([NH3+])CC(C)C ZINC000414679965 386162122 /nfs/dbraw/zinc/16/21/22/386162122.db2.gz MMRFJUPGTOKWSA-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP CC1CCC(C[N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000165486281 386176033 /nfs/dbraw/zinc/17/60/33/386176033.db2.gz YUMUFIXQVULCPJ-WXRRBKDZSA-N 2 1 226.364 1.472 20 0 BDADMP CC1CCC(C[N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000165486281 386176038 /nfs/dbraw/zinc/17/60/38/386176038.db2.gz YUMUFIXQVULCPJ-WXRRBKDZSA-N 2 1 226.364 1.472 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164647012 386176079 /nfs/dbraw/zinc/17/60/79/386176079.db2.gz ZVCAIADUJZJGST-CHWSQXEVSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CCn2cccn2)CC[NH2+]1 ZINC000414692177 386181666 /nfs/dbraw/zinc/18/16/66/386181666.db2.gz KFEIQNRJJRTTAH-QWHCGFSZSA-N 2 1 236.363 1.203 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414692615 386182732 /nfs/dbraw/zinc/18/27/32/386182732.db2.gz CUVDJJIYGQDXOP-XUXIUFHCSA-N 2 1 240.391 1.610 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000414693192 386187682 /nfs/dbraw/zinc/18/76/82/386187682.db2.gz LHQDYSQJLCGKSH-GFCCVEGCSA-N 2 1 222.307 1.964 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)OC)[C@H](C)C1 ZINC000188119165 386188758 /nfs/dbraw/zinc/18/87/58/386188758.db2.gz MVYMPXPVNGPWEO-UTUOFQBUSA-N 2 1 214.353 1.341 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414674866 386141923 /nfs/dbraw/zinc/14/19/23/386141923.db2.gz SGHWCVMTBJLHJC-TUAOUCFPSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414674866 386141928 /nfs/dbraw/zinc/14/19/28/386141928.db2.gz SGHWCVMTBJLHJC-TUAOUCFPSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414674866 386141933 /nfs/dbraw/zinc/14/19/33/386141933.db2.gz SGHWCVMTBJLHJC-TUAOUCFPSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414674866 386141936 /nfs/dbraw/zinc/14/19/36/386141936.db2.gz SGHWCVMTBJLHJC-TUAOUCFPSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414674864 386142375 /nfs/dbraw/zinc/14/23/75/386142375.db2.gz SGHWCVMTBJLHJC-SRVKXCTJSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414674864 386142380 /nfs/dbraw/zinc/14/23/80/386142380.db2.gz SGHWCVMTBJLHJC-SRVKXCTJSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414674864 386142387 /nfs/dbraw/zinc/14/23/87/386142387.db2.gz SGHWCVMTBJLHJC-SRVKXCTJSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414674864 386142391 /nfs/dbraw/zinc/14/23/91/386142391.db2.gz SGHWCVMTBJLHJC-SRVKXCTJSA-N 2 1 234.347 1.277 20 0 BDADMP [NH3+]CCC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000414697716 386201010 /nfs/dbraw/zinc/20/10/10/386201010.db2.gz QCRHTURCNKJJAT-OAHLLOKOSA-N 2 1 248.370 1.707 20 0 BDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C1(C)C ZINC000414697220 386202123 /nfs/dbraw/zinc/20/21/23/386202123.db2.gz IGYCNKWIUHCCRJ-GHMZBOCLSA-N 2 1 214.353 1.471 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000430619604 386203837 /nfs/dbraw/zinc/20/38/37/386203837.db2.gz ABAAYGUYBJZPOK-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP CS[C@H]1CCCC[N@@H+](CCC[NH3+])C1 ZINC000414699754 386205842 /nfs/dbraw/zinc/20/58/42/386205842.db2.gz FJMNTHFANUMNAJ-JTQLQIEISA-N 2 1 202.367 1.553 20 0 BDADMP CC[C@@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000309165327 386208497 /nfs/dbraw/zinc/20/84/97/386208497.db2.gz ISRMDVLCGBCYMW-VXGBXAGGSA-N 2 1 207.321 1.970 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000340284136 386209169 /nfs/dbraw/zinc/20/91/69/386209169.db2.gz KXGJTWQRECSHQQ-UHFFFAOYSA-N 2 1 222.336 1.183 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414703296 386209675 /nfs/dbraw/zinc/20/96/75/386209675.db2.gz JMJPXDRIDAUQEM-ZDUSSCGKSA-N 2 1 241.423 1.648 20 0 BDADMP CC(C)[N@@H+](C[C@H](C)O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414702894 386210647 /nfs/dbraw/zinc/21/06/47/386210647.db2.gz VLDSVXYJOGXELS-AVGNSLFASA-N 2 1 228.380 1.466 20 0 BDADMP [NH3+][C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC000414897576 386211661 /nfs/dbraw/zinc/21/16/61/386211661.db2.gz RSPCNEBVTMAPLM-LBPRGKRZSA-N 2 1 208.280 1.653 20 0 BDADMP COC(=O)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414706276 386218752 /nfs/dbraw/zinc/21/87/52/386218752.db2.gz LKAQPSNMAZRHPK-WDEREUQCSA-N 2 1 240.347 1.012 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414709761 386224024 /nfs/dbraw/zinc/22/40/24/386224024.db2.gz RSYWBFLFOLDZAF-GRYCIOLGSA-N 2 1 242.363 1.115 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000347084874 386242185 /nfs/dbraw/zinc/24/21/85/386242185.db2.gz CIOOPEKCAFZMLK-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000347084874 386242188 /nfs/dbraw/zinc/24/21/88/386242188.db2.gz CIOOPEKCAFZMLK-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000347090448 386245073 /nfs/dbraw/zinc/24/50/73/386245073.db2.gz GDPOHYPWFPONON-NSHDSACASA-N 2 1 222.336 1.068 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000347090448 386245079 /nfs/dbraw/zinc/24/50/79/386245079.db2.gz GDPOHYPWFPONON-NSHDSACASA-N 2 1 222.336 1.068 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695460 386192678 /nfs/dbraw/zinc/19/26/78/386192678.db2.gz UUQPYIUSICERFR-NWDGAFQWSA-N 2 1 242.363 1.260 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414900644 386280596 /nfs/dbraw/zinc/28/05/96/386280596.db2.gz WHSZBXUFOOHFJV-CYBMUJFWSA-N 2 1 204.317 1.822 20 0 BDADMP CSC[C@H]1CCC[N@H+]1CCc1cncn1C ZINC000297879977 386283386 /nfs/dbraw/zinc/28/33/86/386283386.db2.gz QGWKLKSNHPRIDY-GFCCVEGCSA-N 2 1 239.388 1.790 20 0 BDADMP C[NH+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000264958185 386289821 /nfs/dbraw/zinc/28/98/21/386289821.db2.gz MUWKQUCODUKNGF-SNVBAGLBSA-N 2 1 245.330 1.346 20 0 BDADMP Cc1cn[nH]c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000289445531 386307692 /nfs/dbraw/zinc/30/76/92/386307692.db2.gz GLDLOJOTBRYWDX-UHFFFAOYSA-N 2 1 247.346 1.793 20 0 BDADMP CN(C)c1ccccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414901476 386308443 /nfs/dbraw/zinc/30/84/43/386308443.db2.gz XBTYHNGASOOEGV-CYBMUJFWSA-N 2 1 233.359 1.580 20 0 BDADMP COC1CC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000347304593 386308541 /nfs/dbraw/zinc/30/85/41/386308541.db2.gz DJOUNMDALBRJRU-HSBZDZAISA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@@H+](CCCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414737724 386313641 /nfs/dbraw/zinc/31/36/41/386313641.db2.gz HPPKHCAIYBPMJJ-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000335260611 386318300 /nfs/dbraw/zinc/31/83/00/386318300.db2.gz ZKUXYCNXZXDZAQ-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[NH3+])c1 ZINC000236875467 386319359 /nfs/dbraw/zinc/31/93/59/386319359.db2.gz TVAHXLXFHQSOKK-UHFFFAOYSA-N 2 1 249.358 1.103 20 0 BDADMP C[C@@H]1CN(CC[NH2+]C(C)(C)C)[C@@H](C)C[N@H+]1C ZINC000414739142 386321239 /nfs/dbraw/zinc/32/12/39/386321239.db2.gz JYBMTERMIWWGRV-NEPJUHHUSA-N 2 1 227.396 1.399 20 0 BDADMP COC1CCC([N@@H+](C)C[C@H]2CC[NH2+]C2)CC1 ZINC000647885672 386279073 /nfs/dbraw/zinc/27/90/73/386279073.db2.gz CUQJJLSUBOHVEW-HIFPTAJRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336661827 386280032 /nfs/dbraw/zinc/28/00/32/386280032.db2.gz CGDXQDQZKPBSQT-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000414744857 386342005 /nfs/dbraw/zinc/34/20/05/386342005.db2.gz QHKWDNZGWMOVIU-UONOGXRCSA-N 2 1 241.423 1.632 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000647888186 386342497 /nfs/dbraw/zinc/34/24/97/386342497.db2.gz YBGXHYDCAGNJES-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH+](C)CCSC[C@H]1CC[N@@H+](C)C1 ZINC000191174130 386386389 /nfs/dbraw/zinc/38/63/89/386386389.db2.gz MZCAZRGIZDKWHM-JTQLQIEISA-N 2 1 202.367 1.233 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCCCO)CC[NH2+]1 ZINC000414745579 386350910 /nfs/dbraw/zinc/35/09/10/386350910.db2.gz PMGALBBFCDOWLC-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414748263 386360552 /nfs/dbraw/zinc/36/05/52/386360552.db2.gz WMSZJUAFTFGPQP-CHWSQXEVSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414749997 386370073 /nfs/dbraw/zinc/37/00/73/386370073.db2.gz ZEBYDMYOBOWKOP-FDYHWXHSSA-N 2 1 226.364 1.077 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000276890593 386387242 /nfs/dbraw/zinc/38/72/42/386387242.db2.gz KDKYNAWIODDCLL-NSHDSACASA-N 2 1 224.352 1.792 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)C1 ZINC000347383626 386377116 /nfs/dbraw/zinc/37/71/16/386377116.db2.gz YMWFZWBWTIOUBQ-KBPBESRZSA-N 3 1 241.423 1.648 20 0 BDADMP CCN1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)C1 ZINC000347383626 386377122 /nfs/dbraw/zinc/37/71/22/386377122.db2.gz YMWFZWBWTIOUBQ-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP Cc1cn[nH]c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000289593711 386332565 /nfs/dbraw/zinc/33/25/65/386332565.db2.gz UHVWECVUEMSDMD-JTQLQIEISA-N 2 1 247.346 1.649 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903196 386334606 /nfs/dbraw/zinc/33/46/06/386334606.db2.gz LOJKXGRFJUAUNX-GFCCVEGCSA-N 2 1 227.396 1.339 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000290527341 386449191 /nfs/dbraw/zinc/44/91/91/386449191.db2.gz QJVICTRURRVLAF-UHFFFAOYSA-N 2 1 247.346 1.745 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000290527341 386449200 /nfs/dbraw/zinc/44/92/00/386449200.db2.gz QJVICTRURRVLAF-UHFFFAOYSA-N 2 1 247.346 1.745 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414908345 386396020 /nfs/dbraw/zinc/39/60/20/386396020.db2.gz BIAHDVIRPWOHPR-OUCADQQQSA-N 2 1 240.391 1.779 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336700646 386400730 /nfs/dbraw/zinc/40/07/30/386400730.db2.gz KNJOMLOCDKGBTK-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC[C@@H]2CCCO2)CC[NH2+]1 ZINC000414759966 386413057 /nfs/dbraw/zinc/41/30/57/386413057.db2.gz PMEINXCSWQWPLN-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000339408676 386413858 /nfs/dbraw/zinc/41/38/58/386413858.db2.gz URZQKDOIPLBCKI-DZGCQCFKSA-N 2 1 247.386 1.992 20 0 BDADMP CCOCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429235 386421342 /nfs/dbraw/zinc/42/13/42/386421342.db2.gz QRLOQQYHIRICFZ-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339429235 386421349 /nfs/dbraw/zinc/42/13/49/386421349.db2.gz QRLOQQYHIRICFZ-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339429235 386421352 /nfs/dbraw/zinc/42/13/52/386421352.db2.gz QRLOQQYHIRICFZ-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000397312739 386435396 /nfs/dbraw/zinc/43/53/96/386435396.db2.gz PKKOKHACEFXEJF-RQJABVFESA-N 2 1 240.391 1.718 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335426090 386478989 /nfs/dbraw/zinc/47/89/89/386478989.db2.gz YBDPNDGXXKDWEA-OLZOCXBDSA-N 2 1 224.348 1.097 20 0 BDADMP Cn1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227517714 386490161 /nfs/dbraw/zinc/49/01/61/386490161.db2.gz MQFQWSNJGFUGOM-KGLIPLIRSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000227517714 386490166 /nfs/dbraw/zinc/49/01/66/386490166.db2.gz MQFQWSNJGFUGOM-KGLIPLIRSA-N 2 1 233.359 1.742 20 0 BDADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)CO ZINC000339624748 386492607 /nfs/dbraw/zinc/49/26/07/386492607.db2.gz NZAOMCJFTRMFJN-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)CO ZINC000339624748 386492611 /nfs/dbraw/zinc/49/26/11/386492611.db2.gz NZAOMCJFTRMFJN-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780336 386494476 /nfs/dbraw/zinc/49/44/76/386494476.db2.gz LIKUCWYIHKKDKM-FRRDWIJNSA-N 2 1 238.375 1.330 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013317 386496109 /nfs/dbraw/zinc/49/61/09/386496109.db2.gz URVYTAWCLBWJDI-HZSPNIEDSA-N 2 1 239.407 1.338 20 0 BDADMP CC(C)C[C@H](N)C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013319 386496426 /nfs/dbraw/zinc/49/64/26/386496426.db2.gz URVYTAWCLBWJDI-MELADBBJSA-N 2 1 239.407 1.338 20 0 BDADMP CCC[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340659184 386503495 /nfs/dbraw/zinc/50/34/95/386503495.db2.gz OURQPPVSCWQVKF-NSHDSACASA-N 2 1 246.314 1.995 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448075 386516481 /nfs/dbraw/zinc/51/64/81/386516481.db2.gz LRWFAAXFMMVHGU-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+](C)C2CCNCC2)CC[NH2+]1 ZINC000335448075 386516484 /nfs/dbraw/zinc/51/64/84/386516484.db2.gz LRWFAAXFMMVHGU-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CCNCC2)CC[NH2+]1 ZINC000335448075 386516491 /nfs/dbraw/zinc/51/64/91/386516491.db2.gz LRWFAAXFMMVHGU-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000415029182 386517263 /nfs/dbraw/zinc/51/72/63/386517263.db2.gz DMGFGSBGALVZHW-SYQHCUMBSA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000415029182 386517268 /nfs/dbraw/zinc/51/72/68/386517268.db2.gz DMGFGSBGALVZHW-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415030878 386518506 /nfs/dbraw/zinc/51/85/06/386518506.db2.gz FMHFHVKVBAFSGC-WDNDVIMCSA-N 2 1 232.327 1.393 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415079697 386581133 /nfs/dbraw/zinc/58/11/33/386581133.db2.gz XLGCFALECSYELX-CHWSQXEVSA-N 2 1 228.380 1.923 20 0 BDADMP Cn1cnc2cc(C[NH2+][C@H](C[NH3+])C3CC3)ccc21 ZINC000414800773 386585816 /nfs/dbraw/zinc/58/58/16/386585816.db2.gz LJCBYNFVNZKAMA-CYBMUJFWSA-N 2 1 244.342 1.400 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCSC1 ZINC000414922753 386594464 /nfs/dbraw/zinc/59/44/64/386594464.db2.gz GLPNKFNKIBMSLE-OPRDCNLKSA-N 2 1 200.351 1.080 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000415083285 386594885 /nfs/dbraw/zinc/59/48/85/386594885.db2.gz PQMJGMSTQHUKGS-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP CCN1CCCC[C@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415083285 386594888 /nfs/dbraw/zinc/59/48/88/386594888.db2.gz PQMJGMSTQHUKGS-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000519698028 386530990 /nfs/dbraw/zinc/53/09/90/386530990.db2.gz AHOUYIMUKVHDDQ-STQMWFEESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047079 386534559 /nfs/dbraw/zinc/53/45/59/386534559.db2.gz AFEOQYYJQLYNQL-AAVRWANBSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047079 386534565 /nfs/dbraw/zinc/53/45/65/386534565.db2.gz AFEOQYYJQLYNQL-AAVRWANBSA-N 3 1 239.407 1.434 20 0 BDADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]CC2CC2)cc1 ZINC000415057487 386539437 /nfs/dbraw/zinc/53/94/37/386539437.db2.gz UKFIGANQINBUHA-UONOGXRCSA-N 2 1 216.328 1.742 20 0 BDADMP C[NH2+][C@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000123265194 386541117 /nfs/dbraw/zinc/54/11/17/386541117.db2.gz NFDXNWBPEWCZIO-LBPRGKRZSA-N 2 1 249.358 1.501 20 0 BDADMP CC(C)(C)[C@H](CN)[NH2+]Cc1ccncc1 ZINC000415061586 386542157 /nfs/dbraw/zinc/54/21/57/386542157.db2.gz YRZMFATUUBFKIF-NSHDSACASA-N 2 1 207.321 1.545 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414789948 386542180 /nfs/dbraw/zinc/54/21/80/386542180.db2.gz GBWHHOCIXUGOTL-GFCCVEGCSA-N 2 1 232.331 1.636 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063724 386545006 /nfs/dbraw/zinc/54/50/06/386545006.db2.gz IYSXFGNXTPWGEO-NEPJUHHUSA-N 2 1 214.353 1.519 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000647995244 386547643 /nfs/dbraw/zinc/54/76/43/386547643.db2.gz IZWXZKPPCASQOD-BFHYXJOUSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065391 386548741 /nfs/dbraw/zinc/54/87/41/386548741.db2.gz GBVHPRNXOATLCO-MJBXVCDLSA-N 2 1 234.343 1.042 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000415065963 386549506 /nfs/dbraw/zinc/54/95/06/386549506.db2.gz IBRQMOHUHYVVSI-WCQYABFASA-N 3 1 225.380 1.249 20 0 BDADMP CC(C)n1nccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415069577 386552319 /nfs/dbraw/zinc/55/23/19/386552319.db2.gz PCONZYAMZCOVAV-UHFFFAOYSA-N 2 1 236.363 1.696 20 0 BDADMP CNC(=O)c1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414793593 386555389 /nfs/dbraw/zinc/55/53/89/386555389.db2.gz KUUXZNJAOOARHG-ZDUSSCGKSA-N 2 1 249.358 1.119 20 0 BDADMP Cc1ccoc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000278632788 386556671 /nfs/dbraw/zinc/55/66/71/386556671.db2.gz KWJIBVQNAJSTFI-TXEJJXNPSA-N 2 1 220.316 1.581 20 0 BDADMP Cc1ccoc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000278632788 386556677 /nfs/dbraw/zinc/55/66/77/386556677.db2.gz KWJIBVQNAJSTFI-TXEJJXNPSA-N 2 1 220.316 1.581 20 0 BDADMP Cc1ccoc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000278632788 386556685 /nfs/dbraw/zinc/55/66/85/386556685.db2.gz KWJIBVQNAJSTFI-TXEJJXNPSA-N 2 1 220.316 1.581 20 0 BDADMP Cc1ccoc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000278632788 386556692 /nfs/dbraw/zinc/55/66/92/386556692.db2.gz KWJIBVQNAJSTFI-TXEJJXNPSA-N 2 1 220.316 1.581 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414793231 386565333 /nfs/dbraw/zinc/56/53/33/386565333.db2.gz JZBZGPWIRJNZJD-LBPRGKRZSA-N 2 1 246.358 1.646 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(C2CCOCC2)CC1 ZINC000335409375 386571754 /nfs/dbraw/zinc/57/17/54/386571754.db2.gz YCIAZEIQNGMKMO-NSHDSACASA-N 2 1 226.364 1.472 20 0 BDADMP Cc1oc2ccccc2c1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415073925 386572313 /nfs/dbraw/zinc/57/23/13/386572313.db2.gz ZFPCILDIYSURMF-NSHDSACASA-N 2 1 248.326 1.493 20 0 BDADMP Cc1oc2ccccc2c1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415073925 386572317 /nfs/dbraw/zinc/57/23/17/386572317.db2.gz ZFPCILDIYSURMF-NSHDSACASA-N 2 1 248.326 1.493 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CCC[NH2+]C2)cc(C)c1O ZINC000415109598 386622104 /nfs/dbraw/zinc/62/21/04/386622104.db2.gz RMJVSDUHKHNCOS-AWEZNQCLSA-N 2 1 248.370 1.893 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415116681 386629989 /nfs/dbraw/zinc/62/99/89/386629989.db2.gz UZERTPMOWGMMQJ-CYBMUJFWSA-N 3 1 227.396 1.308 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCc1ccc(C)nc1 ZINC000415119927 386632700 /nfs/dbraw/zinc/63/27/00/386632700.db2.gz FWAGBJPSRHZDAC-UHFFFAOYSA-N 2 1 235.375 1.864 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000415140721 386638360 /nfs/dbraw/zinc/63/83/60/386638360.db2.gz ZISZFRFKJVACGU-UHFFFAOYSA-N 2 1 247.346 1.010 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000415140721 386638367 /nfs/dbraw/zinc/63/83/67/386638367.db2.gz ZISZFRFKJVACGU-UHFFFAOYSA-N 2 1 247.346 1.010 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647906697 386639512 /nfs/dbraw/zinc/63/95/12/386639512.db2.gz MEWQTUUOAKIXCU-JSGCOSHPSA-N 3 1 239.407 1.435 20 0 BDADMP COCC[NH+]1CCC([NH2+]C[C@H]2CC23CC3)CC1 ZINC000417371337 386644061 /nfs/dbraw/zinc/64/40/61/386644061.db2.gz VJEPWOUCVBUMIK-GFCCVEGCSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1ccccc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414814938 386650752 /nfs/dbraw/zinc/65/07/52/386650752.db2.gz ZPKCTAXCKZGMQL-ZDUSSCGKSA-N 2 1 204.317 1.822 20 0 BDADMP COC[C@H](CC(C)C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000414922985 386601640 /nfs/dbraw/zinc/60/16/40/386601640.db2.gz GQVLXGJICMRCNO-FRRDWIJNSA-N 2 1 228.380 1.635 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414922985 386601647 /nfs/dbraw/zinc/60/16/47/386601647.db2.gz GQVLXGJICMRCNO-FRRDWIJNSA-N 2 1 228.380 1.635 20 0 BDADMP CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)[C@H]1CCCO1 ZINC000415087647 386606591 /nfs/dbraw/zinc/60/65/91/386606591.db2.gz WHPXGYIJLKFGIS-NWDGAFQWSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@@H]([NH3+])c1ccc(CNC[C@]2(C)CC[NH2+]C2)cc1 ZINC000414807732 386613180 /nfs/dbraw/zinc/61/31/80/386613180.db2.gz CZQVBRXSRRNOPY-IUODEOHRSA-N 2 1 247.386 1.796 20 0 BDADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000428119844 386662347 /nfs/dbraw/zinc/66/23/47/386662347.db2.gz JJYALWSVTMZAJC-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CCCc1csc(C[NH2+]CC[C@H](C)[NH3+])n1 ZINC000414820225 386663874 /nfs/dbraw/zinc/66/38/74/386663874.db2.gz JGFVJLXEGHBQET-VIFPVBQESA-N 2 1 227.377 1.923 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000414821980 386670574 /nfs/dbraw/zinc/67/05/74/386670574.db2.gz FVXFVGLDDIEQPA-CQSZACIVSA-N 2 1 248.370 1.752 20 0 BDADMP NC1(C[NH2+]CCCC2CC[NH2+]CC2)CCC1 ZINC000647907621 386680565 /nfs/dbraw/zinc/68/05/65/386680565.db2.gz MQDGEPAHZDLWJH-UHFFFAOYSA-N 2 1 225.380 1.237 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414824366 386683398 /nfs/dbraw/zinc/68/33/98/386683398.db2.gz KIXVBMMRMGYWAJ-LLVKDONJSA-N 2 1 224.323 1.956 20 0 BDADMP CCc1ncc(C[NH2+]C[C@@H](C)C[NH2+]C)s1 ZINC000414830635 386708843 /nfs/dbraw/zinc/70/88/43/386708843.db2.gz CEUJWLIEFMKGDU-VIFPVBQESA-N 2 1 227.377 1.651 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414837836 386734014 /nfs/dbraw/zinc/73/40/14/386734014.db2.gz KFBMVICEBSPOFJ-ZDUSSCGKSA-N 2 1 249.358 1.249 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414837437 386735076 /nfs/dbraw/zinc/73/50/76/386735076.db2.gz XKOTWCUHYANQQW-GFCCVEGCSA-N 2 1 228.380 1.638 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCSCC1 ZINC000414840534 386738129 /nfs/dbraw/zinc/73/81/29/386738129.db2.gz MKOHNFDULXGXCU-NSHDSACASA-N 2 1 216.394 1.845 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000414831780 386715055 /nfs/dbraw/zinc/71/50/55/386715055.db2.gz DQZGKNQHYKXANO-LBPRGKRZSA-N 2 1 238.379 1.484 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414832595 386719737 /nfs/dbraw/zinc/71/97/37/386719737.db2.gz FFYOGELULWVWPX-LLVKDONJSA-N 2 1 238.379 1.583 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CC1(C[NH3+])CC1)CC[NH2+]CC2 ZINC000335543086 386727076 /nfs/dbraw/zinc/72/70/76/386727076.db2.gz IEKQOJVKVDFWCJ-GFCCVEGCSA-N 3 1 237.391 1.189 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1nccn1C)CC[NH2+]CC2 ZINC000335543948 386727880 /nfs/dbraw/zinc/72/78/80/386727880.db2.gz NVHWXGPTBRPXEZ-LBPRGKRZSA-N 2 1 248.374 1.384 20 0 BDADMP CC[C@H](COC)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414840095 386746882 /nfs/dbraw/zinc/74/68/82/386746882.db2.gz MGNHPSLKPZHIFU-MNOVXSKESA-N 2 1 202.342 1.374 20 0 BDADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414840694 386750557 /nfs/dbraw/zinc/75/05/57/386750557.db2.gz GZEYGEGPXJWGJO-NEPJUHHUSA-N 2 1 214.353 1.533 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000395218174 386753968 /nfs/dbraw/zinc/75/39/68/386753968.db2.gz RWFQBRYXJILWAS-ZDEQEGDKSA-N 2 1 240.391 1.920 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414931218 386760108 /nfs/dbraw/zinc/76/01/08/386760108.db2.gz QYKIMCNZAAYVDW-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@H](C[NH3+])[NH2+]CCCCOc1ccccc1 ZINC000414931896 386767841 /nfs/dbraw/zinc/76/78/41/386767841.db2.gz RZYHSDBSEWSKLV-GFCCVEGCSA-N 2 1 222.332 1.782 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000414844061 386769416 /nfs/dbraw/zinc/76/94/16/386769416.db2.gz QYAKZVQLSQRKEP-SNVBAGLBSA-N 2 1 238.331 1.346 20 0 BDADMP CC(C)[C@@](C)(CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000336667544 386789461 /nfs/dbraw/zinc/78/94/61/386789461.db2.gz MGKHNVYJFNDRBA-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@H]1CCCC[NH2+]1 ZINC000395246731 386791170 /nfs/dbraw/zinc/79/11/70/386791170.db2.gz SEXVEXYFGKATSX-QCNOEVLYSA-N 2 1 226.364 1.266 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@H]1CCCC[NH2+]1 ZINC000395246720 386791297 /nfs/dbraw/zinc/79/12/97/386791297.db2.gz SEXVEXYFGKATSX-IRCOFANPSA-N 2 1 226.364 1.266 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000396560547 386774576 /nfs/dbraw/zinc/77/45/76/386774576.db2.gz JUNMTEKUMKZARE-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP CO[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C1CC1 ZINC000293210822 386788799 /nfs/dbraw/zinc/78/87/99/386788799.db2.gz YGVKUUXOPSVEEP-CQSZACIVSA-N 2 1 249.358 1.662 20 0 BDADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357639671 386818893 /nfs/dbraw/zinc/81/88/93/386818893.db2.gz VOGHKZYDDBNUAC-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC000051631151 386835558 /nfs/dbraw/zinc/83/55/58/386835558.db2.gz LMEAIWKHUDAIGU-HUUCEWRRSA-N 2 1 230.355 1.886 20 0 BDADMP CCCn1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414937135 386841953 /nfs/dbraw/zinc/84/19/53/386841953.db2.gz CIDMZVKZDSAYEW-AAEUAGOBSA-N 2 1 236.363 1.381 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334785343 386845063 /nfs/dbraw/zinc/84/50/63/386845063.db2.gz OMDSCAFZWAFUIS-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336744402 386855881 /nfs/dbraw/zinc/85/58/81/386855881.db2.gz UVTNYRJTSIJHGL-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336744402 386855885 /nfs/dbraw/zinc/85/58/85/386855885.db2.gz UVTNYRJTSIJHGL-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336744402 386855899 /nfs/dbraw/zinc/85/58/99/386855899.db2.gz UVTNYRJTSIJHGL-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000334837944 386880278 /nfs/dbraw/zinc/88/02/78/386880278.db2.gz PQAPIXSVDKWUDG-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1cn[nH]c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334840989 386885978 /nfs/dbraw/zinc/88/59/78/386885978.db2.gz FQYKHFLZASLMEC-ZDUSSCGKSA-N 2 1 248.374 1.540 20 0 BDADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C[NH3+] ZINC000414941586 386887222 /nfs/dbraw/zinc/88/72/22/386887222.db2.gz IYFHXFVVECQTHX-ZJUUUORDSA-N 2 1 210.296 1.694 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358227326 386915503 /nfs/dbraw/zinc/91/55/03/386915503.db2.gz DQYBAEXSVVCBNS-JSGCOSHPSA-N 2 1 234.343 1.404 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358227326 386915505 /nfs/dbraw/zinc/91/55/05/386915505.db2.gz DQYBAEXSVVCBNS-JSGCOSHPSA-N 2 1 234.343 1.404 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358250169 386919326 /nfs/dbraw/zinc/91/93/26/386919326.db2.gz LBQVNFMATMODFK-BFHYXJOUSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358250169 386919332 /nfs/dbraw/zinc/91/93/32/386919332.db2.gz LBQVNFMATMODFK-BFHYXJOUSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358250174 386919653 /nfs/dbraw/zinc/91/96/53/386919653.db2.gz LBQVNFMATMODFK-MELADBBJSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358250174 386919661 /nfs/dbraw/zinc/91/96/61/386919661.db2.gz LBQVNFMATMODFK-MELADBBJSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)CC2(C)C)CC[NH2+]1 ZINC000334853493 386904404 /nfs/dbraw/zinc/90/44/04/386904404.db2.gz DFCHGAFCIVIHLL-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP CCC1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358171174 386907457 /nfs/dbraw/zinc/90/74/57/386907457.db2.gz SWSNJLOIORISEV-JXQTWKCFSA-N 2 1 240.391 1.611 20 0 BDADMP CCC1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358171174 386907464 /nfs/dbraw/zinc/90/74/64/386907464.db2.gz SWSNJLOIORISEV-JXQTWKCFSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000334869029 386927809 /nfs/dbraw/zinc/92/78/09/386927809.db2.gz ODIJOLLPMSLPNA-AAEUAGOBSA-N 2 1 219.332 1.620 20 0 BDADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000334877707 386939237 /nfs/dbraw/zinc/93/92/37/386939237.db2.gz XGGIAXJHVDAFHP-TXEJJXNPSA-N 2 1 234.347 1.020 20 0 BDADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000334877707 386939242 /nfs/dbraw/zinc/93/92/42/386939242.db2.gz XGGIAXJHVDAFHP-TXEJJXNPSA-N 2 1 234.347 1.020 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000334877707 386939247 /nfs/dbraw/zinc/93/92/47/386939247.db2.gz XGGIAXJHVDAFHP-TXEJJXNPSA-N 2 1 234.347 1.020 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000334877707 386939251 /nfs/dbraw/zinc/93/92/51/386939251.db2.gz XGGIAXJHVDAFHP-TXEJJXNPSA-N 2 1 234.347 1.020 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352902879 386955913 /nfs/dbraw/zinc/95/59/13/386955913.db2.gz SPFLNQHMZATZCE-YRGRVCCFSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000352902879 386955917 /nfs/dbraw/zinc/95/59/17/386955917.db2.gz SPFLNQHMZATZCE-YRGRVCCFSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@H]1CCCC[NH2+]1 ZINC000332644900 386996533 /nfs/dbraw/zinc/99/65/33/386996533.db2.gz SJHJZITWOZNBSS-WCFLWFBJSA-N 2 1 248.374 1.387 20 0 BDADMP CC(C)CCC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336763832 387038880 /nfs/dbraw/zinc/03/88/80/387038880.db2.gz PQYBYONODFTOHC-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)CCC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336763832 387038883 /nfs/dbraw/zinc/03/88/83/387038883.db2.gz PQYBYONODFTOHC-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP c1cc2[nH+]ccc(N[C@@H]3CC[NH2+]C3)c2s1 ZINC000334979826 387066767 /nfs/dbraw/zinc/06/67/67/387066767.db2.gz JLWHTUOJODKYFD-MRVPVSSYSA-N 2 1 219.313 1.492 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359034316 387046531 /nfs/dbraw/zinc/04/65/31/387046531.db2.gz YSQPBSRTIRMHFU-MCIONIFRSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000070171902 387046748 /nfs/dbraw/zinc/04/67/48/387046748.db2.gz MOJFEDLIVZKRLV-DGCLKSJQSA-N 2 1 234.343 1.951 20 0 BDADMP CC(C)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000305164048 387051188 /nfs/dbraw/zinc/05/11/88/387051188.db2.gz XVDZVAPSAQFHPA-KBPBESRZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@]1(F)CNCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000334973395 387058494 /nfs/dbraw/zinc/05/84/94/387058494.db2.gz OUEZINWZKFUQHX-NWDGAFQWSA-N 2 1 230.327 1.189 20 0 BDADMP C[C@@]1(F)CNCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000334973395 387058499 /nfs/dbraw/zinc/05/84/99/387058499.db2.gz OUEZINWZKFUQHX-NWDGAFQWSA-N 2 1 230.327 1.189 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2nccn21 ZINC000333317955 387026439 /nfs/dbraw/zinc/02/64/39/387026439.db2.gz TZIDZNDZNOYWON-LPWJVIDDSA-N 2 1 248.374 1.996 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCCF)C1 ZINC000639766911 387070893 /nfs/dbraw/zinc/07/08/93/387070893.db2.gz PQHRAWOUPDCKEM-LBPRGKRZSA-N 2 1 232.343 1.125 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230546 387072566 /nfs/dbraw/zinc/07/25/66/387072566.db2.gz ZSHLRPVAMHPYHK-OCCSQVGLSA-N 3 1 239.407 1.435 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000228329627 387081854 /nfs/dbraw/zinc/08/18/54/387081854.db2.gz ZGAXGIOKAZGFNJ-RYUDHWBXSA-N 2 1 243.395 1.350 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)n1 ZINC000334998180 387091068 /nfs/dbraw/zinc/09/10/68/387091068.db2.gz LRLKSWCDCCFAGP-IINYFYTJSA-N 2 1 233.359 1.868 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)n1 ZINC000334998180 387091070 /nfs/dbraw/zinc/09/10/70/387091070.db2.gz LRLKSWCDCCFAGP-IINYFYTJSA-N 2 1 233.359 1.868 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000418088556 387096230 /nfs/dbraw/zinc/09/62/30/387096230.db2.gz KKLMSMORRRGMAZ-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000160579426 387104632 /nfs/dbraw/zinc/10/46/32/387104632.db2.gz UNGGKDNKPBTEKU-GXSJLCMTSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025567 387116697 /nfs/dbraw/zinc/11/66/97/387116697.db2.gz SQQMBRRMZRTWJE-OLZOCXBDSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025567 387116701 /nfs/dbraw/zinc/11/67/01/387116701.db2.gz SQQMBRRMZRTWJE-OLZOCXBDSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccco1 ZINC000335024436 387117392 /nfs/dbraw/zinc/11/73/92/387117392.db2.gz NIXDTSJVHNSWCW-CMPLNLGQSA-N 2 1 208.305 1.757 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCCC[NH3+] ZINC000423298560 387128873 /nfs/dbraw/zinc/12/88/73/387128873.db2.gz ONTXMEUURLBYGR-NWDGAFQWSA-N 3 1 215.385 1.611 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000423305720 387141599 /nfs/dbraw/zinc/14/15/99/387141599.db2.gz CKWHLIRMVWLZMM-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP CC(C)C1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000353179877 387150010 /nfs/dbraw/zinc/15/00/10/387150010.db2.gz FYQYGYCGFPJNDI-RUXDESIVSA-N 2 1 242.407 1.713 20 0 BDADMP c1cncc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000249910572 387150982 /nfs/dbraw/zinc/15/09/82/387150982.db2.gz NNGFNXBMGMWBOO-GJZGRUSLSA-N 2 1 245.370 1.841 20 0 BDADMP CCN(CC)[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000249986504 387151499 /nfs/dbraw/zinc/15/14/99/387151499.db2.gz SMKJWTLDQVYBBM-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000249986504 387151502 /nfs/dbraw/zinc/15/15/02/387151502.db2.gz SMKJWTLDQVYBBM-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423315618 387156812 /nfs/dbraw/zinc/15/68/12/387156812.db2.gz ABGWSNOSCURIOE-IJLUTSLNSA-N 2 1 228.380 1.907 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353391377 387193323 /nfs/dbraw/zinc/19/33/23/387193323.db2.gz CDNJBYSEHDOWBB-YNEHKIRRSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)OCO2 ZINC000423327429 387169461 /nfs/dbraw/zinc/16/94/61/387169461.db2.gz RMAYXWSKINUQSK-SKDRFNHKSA-N 2 1 248.326 1.803 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423327769 387170080 /nfs/dbraw/zinc/17/00/80/387170080.db2.gz NSTRIYKBGKSPJE-OUAUKWLOSA-N 2 1 202.317 1.842 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330258 387176072 /nfs/dbraw/zinc/17/60/72/387176072.db2.gz BQUVRNYAAJQDMF-TZMCWYRMSA-N 3 1 237.391 1.226 20 0 BDADMP CCN1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330258 387176076 /nfs/dbraw/zinc/17/60/76/387176076.db2.gz BQUVRNYAAJQDMF-TZMCWYRMSA-N 2 1 237.391 1.226 20 0 BDADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[NH3+])CC2 ZINC000423338586 387187757 /nfs/dbraw/zinc/18/77/57/387187757.db2.gz WGDSVMZDUABZCZ-NOZJJQNGSA-N 2 1 220.316 1.619 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000423300477 387133492 /nfs/dbraw/zinc/13/34/92/387133492.db2.gz DYJPYWUVRHCKHM-XDQVBPFNSA-N 2 1 237.391 1.201 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000370673766 387133610 /nfs/dbraw/zinc/13/36/10/387133610.db2.gz PORXELYCRYPVLA-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408939 387205546 /nfs/dbraw/zinc/20/55/46/387205546.db2.gz SZRBZBOEGVXBAI-IHRRRGAJSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423356309 387207288 /nfs/dbraw/zinc/20/72/88/387207288.db2.gz GMTFSATUTVKATG-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@@H+](C)CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423356533 387207477 /nfs/dbraw/zinc/20/74/77/387207477.db2.gz KDYRZJAABPCNED-NSHDSACASA-N 2 1 249.358 1.388 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(CC)CC ZINC000423360678 387211903 /nfs/dbraw/zinc/21/19/03/387211903.db2.gz GDWOLBIZHJALJN-TUAOUCFPSA-N 2 1 228.380 1.907 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353500031 387215831 /nfs/dbraw/zinc/21/58/31/387215831.db2.gz VRJUGGLHNSNIRM-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000423366640 387218103 /nfs/dbraw/zinc/21/81/03/387218103.db2.gz CSFNHDVMNQQCBY-QNWHQSFQSA-N 2 1 225.380 1.057 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C12CCCC2 ZINC000423368581 387221550 /nfs/dbraw/zinc/22/15/50/387221550.db2.gz NJLTZGNLRMHOSQ-QJPTWQEYSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423396368 387233171 /nfs/dbraw/zinc/23/31/71/387233171.db2.gz NSTRIYKBGKSPJE-HBNTYKKESA-N 2 1 202.317 1.842 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000423403615 387240481 /nfs/dbraw/zinc/24/04/81/387240481.db2.gz YQXCHVDGZGMPDU-MNXVOIDGSA-N 2 1 237.391 1.342 20 0 BDADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCOCC1 ZINC000063074040 387248376 /nfs/dbraw/zinc/24/83/76/387248376.db2.gz BRMVOIQFCJPHDO-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCOCC1 ZINC000063074040 387248383 /nfs/dbraw/zinc/24/83/83/387248383.db2.gz BRMVOIQFCJPHDO-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423461966 387311472 /nfs/dbraw/zinc/31/14/72/387311472.db2.gz DAXXMXQLFQRZJO-RVMXOQNASA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423375677 387257941 /nfs/dbraw/zinc/25/79/41/387257941.db2.gz DBPWQWLJHKDTAQ-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000423378298 387258994 /nfs/dbraw/zinc/25/89/94/387258994.db2.gz KSLDWGMPOJQIGG-LPWJVIDDSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000423378300 387260069 /nfs/dbraw/zinc/26/00/69/387260069.db2.gz KSLDWGMPOJQIGG-XQHKEYJVSA-N 3 1 225.380 1.234 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423385208 387269101 /nfs/dbraw/zinc/26/91/01/387269101.db2.gz QQBNQVDZHPPKJD-GRYCIOLGSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cn1 ZINC000423387153 387270961 /nfs/dbraw/zinc/27/09/61/387270961.db2.gz HTDYALJWXSGFGK-JBLDHEPKSA-N 2 1 237.322 1.869 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423387015 387271212 /nfs/dbraw/zinc/27/12/12/387271212.db2.gz SGYXFJFDUMGSRB-FDYHWXHSSA-N 2 1 227.396 1.303 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423393352 387277843 /nfs/dbraw/zinc/27/78/43/387277843.db2.gz MEYLSLJUEXQJBB-WHOHXGKFSA-N 2 1 224.348 1.271 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cncc(F)c1 ZINC000423392736 387278566 /nfs/dbraw/zinc/27/85/66/387278566.db2.gz LYNYSXYWGMXJKX-NRUUGDAUSA-N 2 1 237.322 1.869 20 0 BDADMP C[C@H](O)CC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000572249382 387278731 /nfs/dbraw/zinc/27/87/31/387278731.db2.gz HPYIEJBQYNKVQK-LBPRGKRZSA-N 2 1 248.370 1.535 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[NH2+]C ZINC000423394603 387280537 /nfs/dbraw/zinc/28/05/37/387280537.db2.gz QJVGDUHPASCJFS-SRVKXCTJSA-N 2 1 214.353 1.389 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302238941 387281535 /nfs/dbraw/zinc/28/15/35/387281535.db2.gz CDZRHEQTEXXIKU-CQSZACIVSA-N 2 1 240.391 1.864 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423432313 387284176 /nfs/dbraw/zinc/28/41/76/387284176.db2.gz BALMETLRDQKLCK-MXWKQRLJSA-N 2 1 207.321 1.776 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC2(C1)CCOCC2 ZINC000302636363 387286966 /nfs/dbraw/zinc/28/69/66/387286966.db2.gz DYDVKZODAYQPBB-ZDUSSCGKSA-N 2 1 240.391 1.862 20 0 BDADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447100 387296786 /nfs/dbraw/zinc/29/67/86/387296786.db2.gz ZIBBCMMKILGVFW-SFDCQRBFSA-N 2 1 244.338 1.490 20 0 BDADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)no1 ZINC000459790984 387297561 /nfs/dbraw/zinc/29/75/61/387297561.db2.gz RIFBNAAQFFGNPN-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc2ncccc2c1 ZINC000162048916 387300478 /nfs/dbraw/zinc/30/04/78/387300478.db2.gz SIPVRLFWDYOWLK-SNVBAGLBSA-N 2 1 215.300 1.672 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000160572036 387303612 /nfs/dbraw/zinc/30/36/12/387303612.db2.gz UIPRNJNAECUJFO-ZJUUUORDSA-N 2 1 210.346 1.917 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccncc1 ZINC000423459802 387308313 /nfs/dbraw/zinc/30/83/13/387308313.db2.gz IKAXYTNULFOKIK-SCVCMEIPSA-N 2 1 207.321 1.858 20 0 BDADMP CC[C@H](C)[C@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000515300934 387362062 /nfs/dbraw/zinc/36/20/62/387362062.db2.gz XPMCUNXGGUPFDT-XKSSXDPKSA-N 2 1 226.324 1.266 20 0 BDADMP C[C@H](NC1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423540190 387366297 /nfs/dbraw/zinc/36/62/97/387366297.db2.gz DANGXGYTRMELAL-ABXWRUBCSA-N 2 1 239.407 1.589 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000423544399 387367290 /nfs/dbraw/zinc/36/72/90/387367290.db2.gz CXQYRYBJYNXWTQ-VXGBXAGGSA-N 2 1 212.337 1.143 20 0 BDADMP COC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CC1 ZINC000423544398 387368788 /nfs/dbraw/zinc/36/87/88/387368788.db2.gz CXQYRYBJYNXWTQ-RYUDHWBXSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453450 387370132 /nfs/dbraw/zinc/37/01/32/387370132.db2.gz BWDAFMJUWSVIKS-ZLDLUXBVSA-N 2 1 230.355 1.914 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1C ZINC000423555075 387374500 /nfs/dbraw/zinc/37/45/00/387374500.db2.gz LQDFVBFFCJUWKH-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP Cc1nc(NCC(C)(C)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000354430257 387375347 /nfs/dbraw/zinc/37/53/47/387375347.db2.gz CRJCZHVZJFLDSO-UHFFFAOYSA-N 2 1 236.363 1.576 20 0 BDADMP COc1cccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000515404015 387377470 /nfs/dbraw/zinc/37/74/70/387377470.db2.gz BAHJPRZVEJJVCS-ZJUUUORDSA-N 2 1 208.305 1.693 20 0 BDADMP [NH3+][C@H]1C[C@H](NCC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392503 387380670 /nfs/dbraw/zinc/38/06/70/387380670.db2.gz UNFYBORIWVNHJB-GJZGRUSLSA-N 2 1 243.354 1.641 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423573751 387380774 /nfs/dbraw/zinc/38/07/74/387380774.db2.gz ZLUIRENGTRIXIJ-AAEUAGOBSA-N 3 1 225.380 1.236 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000372989088 387339827 /nfs/dbraw/zinc/33/98/27/387339827.db2.gz GCMXSGKOZKOSOJ-CYBMUJFWSA-N 2 1 236.363 1.299 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000423498387 387339945 /nfs/dbraw/zinc/33/99/45/387339945.db2.gz BRUVPHDPHSZMDD-JHJVBQTASA-N 2 1 243.370 1.008 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423501955 387343599 /nfs/dbraw/zinc/34/35/99/387343599.db2.gz LQCDDXZHNRPVGR-QWHCGFSZSA-N 2 1 226.364 1.519 20 0 BDADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCC1 ZINC000423509812 387344794 /nfs/dbraw/zinc/34/47/94/387344794.db2.gz JJUFEMQIOWWJDR-KBPBESRZSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCC1 ZINC000423509817 387345138 /nfs/dbraw/zinc/34/51/38/387345138.db2.gz JJUFEMQIOWWJDR-ZIAGYGMSSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423517188 387350192 /nfs/dbraw/zinc/35/01/92/387350192.db2.gz OBWZCNPWXBLTSR-ZIAGYGMSSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423518393 387351369 /nfs/dbraw/zinc/35/13/69/387351369.db2.gz OMXLGCUULINVNN-MJBXVCDLSA-N 2 1 241.423 1.694 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@@H]1O ZINC000352665059 387426835 /nfs/dbraw/zinc/42/68/35/387426835.db2.gz DEVKFXBFFCBGPE-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643505536 387452249 /nfs/dbraw/zinc/45/22/49/387452249.db2.gz YTYIZMHTQOKXBF-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)C1(C)C ZINC000361405167 387455178 /nfs/dbraw/zinc/45/51/78/387455178.db2.gz WTQOBTSVDCFBOD-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC(C)(C)C2)CC[N@@H+]1C ZINC000396838374 387499036 /nfs/dbraw/zinc/49/90/36/387499036.db2.gz BBZRYYQENVTYJV-IJLUTSLNSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC(C)(C)C2)CC[N@H+]1C ZINC000396838374 387499040 /nfs/dbraw/zinc/49/90/40/387499040.db2.gz BBZRYYQENVTYJV-IJLUTSLNSA-N 2 1 226.364 1.626 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000086251624 387518625 /nfs/dbraw/zinc/51/86/25/387518625.db2.gz PUXKQXCAAKNJKP-CYBMUJFWSA-N 2 1 221.348 1.836 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)c1cn[nH]c1)C[NH+]1CCCC1 ZINC000310309386 387537729 /nfs/dbraw/zinc/53/77/29/387537729.db2.gz TXFMSDGQXJFXSA-NEPJUHHUSA-N 2 1 236.363 1.792 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H](C)O ZINC000361505495 387464231 /nfs/dbraw/zinc/46/42/31/387464231.db2.gz PIRJINVZUZCUHR-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP CC[C@@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1CCOC1 ZINC000643506711 387464576 /nfs/dbraw/zinc/46/45/76/387464576.db2.gz GIRHISITNMUBLN-ZYHUDNBSSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC(C)(C)CC[NH3+] ZINC000424048883 387469888 /nfs/dbraw/zinc/46/98/88/387469888.db2.gz SSTGJYACYLJPBJ-PHIMTYICSA-N 2 1 241.379 1.103 20 0 BDADMP COC1(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CCCC1 ZINC000361550220 387483671 /nfs/dbraw/zinc/48/36/71/387483671.db2.gz QQWIEXYQYILPEI-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C1 ZINC000643511313 387593243 /nfs/dbraw/zinc/59/32/43/387593243.db2.gz ZKSFPAMQBWDDJS-RWMBFGLXSA-N 2 1 228.380 1.907 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000422552943 387598982 /nfs/dbraw/zinc/59/89/82/387598982.db2.gz ITGQGXRNSMREFJ-HSBZDZAISA-N 2 1 241.423 1.822 20 0 BDADMP C[N@H+](Cc1cccc(C2CC2)c1)C[C@@H](O)C[NH3+] ZINC000422550484 387599671 /nfs/dbraw/zinc/59/96/71/387599671.db2.gz BIBJQOVYXSTAED-AWEZNQCLSA-N 2 1 234.343 1.315 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422558483 387600564 /nfs/dbraw/zinc/60/05/64/387600564.db2.gz AUVLXBDILNYKNZ-ZOBORPQBSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422558483 387600569 /nfs/dbraw/zinc/60/05/69/387600569.db2.gz AUVLXBDILNYKNZ-ZOBORPQBSA-N 3 1 239.407 1.291 20 0 BDADMP CC(C)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122864258 387609597 /nfs/dbraw/zinc/60/95/97/387609597.db2.gz VNKWXJRELRGYLZ-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422701087 387615078 /nfs/dbraw/zinc/61/50/78/387615078.db2.gz BHGGXULCOVXGGB-HZSPNIEDSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422699914 387616103 /nfs/dbraw/zinc/61/61/03/387616103.db2.gz FLAONTSDQYFUPT-KWCYVHTRSA-N 2 1 240.391 1.658 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422708581 387622432 /nfs/dbraw/zinc/62/24/32/387622432.db2.gz JHRFNGJUFZOAID-BJDJZHNGSA-N 2 1 214.353 1.124 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422708264 387622928 /nfs/dbraw/zinc/62/29/28/387622928.db2.gz ISTVTSITBPASTD-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266628 387552830 /nfs/dbraw/zinc/55/28/30/387552830.db2.gz ZFJPPVDUMGBDTL-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266628 387552834 /nfs/dbraw/zinc/55/28/34/387552834.db2.gz ZFJPPVDUMGBDTL-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266628 387552839 /nfs/dbraw/zinc/55/28/39/387552839.db2.gz ZFJPPVDUMGBDTL-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305107256 387554504 /nfs/dbraw/zinc/55/45/04/387554504.db2.gz DKTIDKJKMRVGAO-UXIGCNINSA-N 2 1 248.370 1.432 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)COC)[C@H](C)C1 ZINC000426339920 387557307 /nfs/dbraw/zinc/55/73/07/387557307.db2.gz YDQNNIBFKMXJFO-CHWSQXEVSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1ncsc1CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430547318 387627360 /nfs/dbraw/zinc/62/73/60/387627360.db2.gz KSPVZDKRPQDHTF-GFCCVEGCSA-N 2 1 241.404 1.957 20 0 BDADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000305147858 387563767 /nfs/dbraw/zinc/56/37/67/387563767.db2.gz SMNHDRDSLOQJOL-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@@](C)(C[NH3+])C2CC2)s1 ZINC000430581471 387630590 /nfs/dbraw/zinc/63/05/90/387630590.db2.gz JDVLVOWEUGKFLV-LBPRGKRZSA-N 2 1 239.388 1.977 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422719144 387631067 /nfs/dbraw/zinc/63/10/67/387631067.db2.gz XQFSFSNLCNHAHU-QNWHQSFQSA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422725473 387636403 /nfs/dbraw/zinc/63/64/03/387636403.db2.gz BMGOUNKUYOTKHU-MCIONIFRSA-N 2 1 239.407 1.720 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422730175 387639223 /nfs/dbraw/zinc/63/92/23/387639223.db2.gz LSJXDBMHAIJMDH-RYUDHWBXSA-N 3 1 215.385 1.434 20 0 BDADMP CCOCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422735061 387642596 /nfs/dbraw/zinc/64/25/96/387642596.db2.gz UKJFDNAETIIDQJ-WDEREUQCSA-N 2 1 200.326 1.001 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000422736207 387643155 /nfs/dbraw/zinc/64/31/55/387643155.db2.gz FUNBVIIKPGWEGQ-VXGBXAGGSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000422737404 387645407 /nfs/dbraw/zinc/64/54/07/387645407.db2.gz IAOIYJJKTMDZLR-DMDPSCGWSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N(C)C ZINC000422738128 387645615 /nfs/dbraw/zinc/64/56/15/387645615.db2.gz JFKKLBQDBMCVRH-WOPDTQHZSA-N 2 1 213.369 1.186 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000376519630 387647130 /nfs/dbraw/zinc/64/71/30/387647130.db2.gz RCSHYNQGUAQPOM-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744909 387648051 /nfs/dbraw/zinc/64/80/51/387648051.db2.gz UIZVVFAWLVUWQV-LSDHHAIUSA-N 2 1 248.370 1.929 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)CC[N@H+]1C ZINC000149294703 387649523 /nfs/dbraw/zinc/64/95/23/387649523.db2.gz XNDPVXOEVNKIOQ-UTUOFQBUSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746701 387651026 /nfs/dbraw/zinc/65/10/26/387651026.db2.gz WYOYHQNTXVMIEF-BNOWGMLFSA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@H](NC[C@@H]1CCC[N@H+]1CC)[C@@H]1CCC[NH2+]1 ZINC000422755595 387658847 /nfs/dbraw/zinc/65/88/47/387658847.db2.gz KRGHPSQDGCUDHO-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](NCC[N@@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422753317 387659355 /nfs/dbraw/zinc/65/93/55/387659355.db2.gz GDGZVFFVQHXUDY-ZDUSSCGKSA-N 2 1 247.386 1.316 20 0 BDADMP C[C@H]([NH2+]CCN(C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422753317 387659361 /nfs/dbraw/zinc/65/93/61/387659361.db2.gz GDGZVFFVQHXUDY-ZDUSSCGKSA-N 2 1 247.386 1.316 20 0 BDADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422757863 387660008 /nfs/dbraw/zinc/66/00/08/387660008.db2.gz NDSKSBRZGBLAMX-RRFJBIMHSA-N 2 1 247.386 1.759 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000422759733 387662942 /nfs/dbraw/zinc/66/29/42/387662942.db2.gz GARNEAVVGJKHTE-MELADBBJSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000422759733 387662944 /nfs/dbraw/zinc/66/29/44/387662944.db2.gz GARNEAVVGJKHTE-MELADBBJSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000422759733 387662948 /nfs/dbraw/zinc/66/29/48/387662948.db2.gz GARNEAVVGJKHTE-MELADBBJSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422765786 387665554 /nfs/dbraw/zinc/66/55/54/387665554.db2.gz LFHBSHLBOKYEJU-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP COc1ccccc1[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422768630 387668759 /nfs/dbraw/zinc/66/87/59/387668759.db2.gz ZIEVGAOYDLLFFI-GHMZBOCLSA-N 2 1 234.343 1.954 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1(C)C ZINC000422771510 387671066 /nfs/dbraw/zinc/67/10/66/387671066.db2.gz VSJHGEZXVYEGJO-FVCCEPFGSA-N 2 1 240.391 1.778 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C(C)C ZINC000126189896 387675834 /nfs/dbraw/zinc/67/58/34/387675834.db2.gz APKUWKBEDXOJDC-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C(C)C ZINC000126189896 387675840 /nfs/dbraw/zinc/67/58/40/387675840.db2.gz APKUWKBEDXOJDC-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862088 387744689 /nfs/dbraw/zinc/74/46/89/387744689.db2.gz NJVMRFHSXYPWOY-BFHYXJOUSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422876908 387756330 /nfs/dbraw/zinc/75/63/30/387756330.db2.gz GRKZTBBYPVUQPH-MNOVXSKESA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422865252 387746151 /nfs/dbraw/zinc/74/61/51/387746151.db2.gz XLJYWPBHQOPLDY-AVGNSLFASA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000422863818 387746936 /nfs/dbraw/zinc/74/69/36/387746936.db2.gz SHGDIHGEVJPELS-DGCLKSJQSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000422863803 387747427 /nfs/dbraw/zinc/74/74/27/387747427.db2.gz MBHYSJFDLURPIO-OWTLIXCDSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CN1C1CC1 ZINC000422863803 387747430 /nfs/dbraw/zinc/74/74/30/387747430.db2.gz MBHYSJFDLURPIO-OWTLIXCDSA-N 2 1 237.391 1.329 20 0 BDADMP CCN(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422876908 387756334 /nfs/dbraw/zinc/75/63/34/387756334.db2.gz GRKZTBBYPVUQPH-MNOVXSKESA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422869793 387749706 /nfs/dbraw/zinc/74/97/06/387749706.db2.gz YATXJORIZGMFBL-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1C1CC1 ZINC000422871870 387750486 /nfs/dbraw/zinc/75/04/86/387750486.db2.gz ZXQXANVCUAXFRP-BYNQJWBRSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000422873312 387753036 /nfs/dbraw/zinc/75/30/36/387753036.db2.gz KZKOYQCRYSZTAB-BLFANLJRSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000422873312 387753039 /nfs/dbraw/zinc/75/30/39/387753039.db2.gz KZKOYQCRYSZTAB-BLFANLJRSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CC12CC2 ZINC000527843633 387753660 /nfs/dbraw/zinc/75/36/60/387753660.db2.gz CDOCMSWDMCMNFD-CMPLNLGQSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000422879897 387754344 /nfs/dbraw/zinc/75/43/44/387754344.db2.gz WBSISLKSWHPWSO-XWUBHJNHSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000422879897 387754353 /nfs/dbraw/zinc/75/43/53/387754353.db2.gz WBSISLKSWHPWSO-XWUBHJNHSA-N 2 1 237.391 1.186 20 0 BDADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+]1CCCC1 ZINC000422795086 387697240 /nfs/dbraw/zinc/69/72/40/387697240.db2.gz ZQZBMOJBQHTTMN-PBWFPOADSA-N 3 1 237.391 1.345 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000643525994 387754778 /nfs/dbraw/zinc/75/47/78/387754778.db2.gz LUKHDMXZWQLSEX-UWVGGRQHSA-N 2 1 236.315 1.456 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422802691 387703523 /nfs/dbraw/zinc/70/35/23/387703523.db2.gz BSGKIDMWPWDWQU-OLZOCXBDSA-N 2 1 240.391 1.517 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CCCCC1 ZINC000422807942 387705046 /nfs/dbraw/zinc/70/50/46/387705046.db2.gz KMVOJYZAPRRCEE-NEPJUHHUSA-N 2 1 213.369 1.188 20 0 BDADMP COCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422806862 387705239 /nfs/dbraw/zinc/70/52/39/387705239.db2.gz NZNGIQFJAODQNQ-UONOGXRCSA-N 2 1 234.343 1.802 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCCO)CC1 ZINC000377267430 387708233 /nfs/dbraw/zinc/70/82/33/387708233.db2.gz PGPIXJBWBXJXTE-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422808560 387709251 /nfs/dbraw/zinc/70/92/51/387709251.db2.gz OKLZXFUNFLCZDX-UONOGXRCSA-N 2 1 234.343 1.802 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422811679 387712226 /nfs/dbraw/zinc/71/22/26/387712226.db2.gz VCQIMHKEIWPKIW-AVGNSLFASA-N 2 1 228.380 1.778 20 0 BDADMP Cc1nc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cs1 ZINC000422820308 387718111 /nfs/dbraw/zinc/71/81/11/387718111.db2.gz PWVUOEBCWPNLNT-BXKDBHETSA-N 2 1 239.388 1.582 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422828115 387724446 /nfs/dbraw/zinc/72/44/46/387724446.db2.gz SVVDCGCXIUNUDV-KGLIPLIRSA-N 2 1 241.423 1.968 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000422838087 387729453 /nfs/dbraw/zinc/72/94/53/387729453.db2.gz VZTUCJMTGTXXLE-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527146 387762207 /nfs/dbraw/zinc/76/22/07/387762207.db2.gz DFCJSZOYKAPMBZ-GXFFZTMASA-N 2 1 204.317 1.919 20 0 BDADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527543 387766504 /nfs/dbraw/zinc/76/65/04/387766504.db2.gz OIHXSPNHSKNMMI-PELKAZGASA-N 2 1 238.306 1.758 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2F ZINC000643528251 387767620 /nfs/dbraw/zinc/76/76/20/387767620.db2.gz GBPUKWBLYYDYPC-QPUJVOFHSA-N 2 1 208.280 1.750 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000643528219 387768356 /nfs/dbraw/zinc/76/83/56/387768356.db2.gz FPEXICQXYGSMJY-UWVGGRQHSA-N 2 1 247.342 1.569 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422910279 387769822 /nfs/dbraw/zinc/76/98/22/387769822.db2.gz QDIWCILGBBICFQ-FRRDWIJNSA-N 2 1 227.396 1.576 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422910279 387769827 /nfs/dbraw/zinc/76/98/27/387769827.db2.gz QDIWCILGBBICFQ-FRRDWIJNSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000643529246 387771882 /nfs/dbraw/zinc/77/18/82/387771882.db2.gz XNCSBEDQPZWJNZ-PRHODGIISA-N 2 1 208.280 1.750 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000643529440 387776677 /nfs/dbraw/zinc/77/66/77/387776677.db2.gz ZZJAGMXFMQILTN-MNOVXSKESA-N 2 1 245.330 1.265 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422922626 387777744 /nfs/dbraw/zinc/77/77/44/387777744.db2.gz QILYWOTVCHDKLO-SRVKXCTJSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000422926217 387780443 /nfs/dbraw/zinc/78/04/43/387780443.db2.gz CGAGCRKHWGCUJY-NGZCFLSTSA-N 2 1 222.336 1.503 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000422926217 387780446 /nfs/dbraw/zinc/78/04/46/387780446.db2.gz CGAGCRKHWGCUJY-NGZCFLSTSA-N 2 1 222.336 1.503 20 0 BDADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422979078 387790053 /nfs/dbraw/zinc/79/00/53/387790053.db2.gz LFFOJALJTORRPE-HZSPNIEDSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000527931572 387795214 /nfs/dbraw/zinc/79/52/14/387795214.db2.gz SZBITTKMMQBHFW-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000422984565 387796409 /nfs/dbraw/zinc/79/64/09/387796409.db2.gz AZLAAYQEQDWKGS-UTUOFQBUSA-N 2 1 249.358 1.960 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000151135303 387801248 /nfs/dbraw/zinc/80/12/48/387801248.db2.gz PUFMRCOLNBXLQX-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP COc1cccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423001891 387804973 /nfs/dbraw/zinc/80/49/73/387804973.db2.gz FDVNOUSWUPPACJ-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000423001882 387806942 /nfs/dbraw/zinc/80/69/42/387806942.db2.gz ITJXQEKOMDPROM-UONOGXRCSA-N 2 1 234.343 1.973 20 0 BDADMP C[NH2+]CCCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000309504691 387811431 /nfs/dbraw/zinc/81/14/31/387811431.db2.gz MRQAWOLMBZKYJE-QWRGUYRKSA-N 2 1 221.348 1.863 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCNc2ccccc21 ZINC000643526595 387756882 /nfs/dbraw/zinc/75/68/82/387756882.db2.gz BYEHJVVADQCHFQ-MFKMUULPSA-N 2 1 219.332 1.870 20 0 BDADMP C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880916 387757638 /nfs/dbraw/zinc/75/76/38/387757638.db2.gz XUEMCGTWQYRBRU-OXHZDVMGSA-N 2 1 237.391 1.199 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422881973 387758347 /nfs/dbraw/zinc/75/83/47/387758347.db2.gz RLKKSGAYLGCPLS-STQMWFEESA-N 2 1 227.396 1.304 20 0 BDADMP C[C@H]([NH3+])CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000643527047 387759392 /nfs/dbraw/zinc/75/93/92/387759392.db2.gz CGFGHOLDIPYJPE-GUTXKFCHSA-N 2 1 247.386 1.586 20 0 BDADMP COCCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000422889246 387760183 /nfs/dbraw/zinc/76/01/83/387760183.db2.gz PDIAXSJZLLOEOP-STQMWFEESA-N 2 1 240.391 1.781 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422975079 387823718 /nfs/dbraw/zinc/82/37/18/387823718.db2.gz SHROYWZXLZCQRG-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000162304669 387826255 /nfs/dbraw/zinc/82/62/55/387826255.db2.gz JKJUWQZSVRBYSR-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1c[nH+]ccc1N ZINC000423003369 387826460 /nfs/dbraw/zinc/82/64/60/387826460.db2.gz HPEYWQPUOHELLB-TUAOUCFPSA-N 2 1 249.358 1.696 20 0 BDADMP CC[C@@H]([NH2+]CCNc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000423007536 387828308 /nfs/dbraw/zinc/82/83/08/387828308.db2.gz QWPUQVLTSOMFKJ-OLZOCXBDSA-N 2 1 248.374 1.614 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2COC2)[C@@H]2CCC[C@@H]21 ZINC000528026016 387830007 /nfs/dbraw/zinc/83/00/07/387830007.db2.gz IBQJPOQIZXNWPX-AVGNSLFASA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CCC[NH2+]CC2)CCC[N@@H+]1C ZINC000423025935 387843541 /nfs/dbraw/zinc/84/35/41/387843541.db2.gz AGUUNOARTQFGNU-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CCC[NH2+]CC2)CCC[N@H+]1C ZINC000423025935 387843543 /nfs/dbraw/zinc/84/35/43/387843543.db2.gz AGUUNOARTQFGNU-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](CC[NH2+][C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000423026834 387844036 /nfs/dbraw/zinc/84/40/36/387844036.db2.gz CEBJZNVAWUKFTC-MELADBBJSA-N 3 1 241.423 1.966 20 0 BDADMP CC(C)OCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423034789 387848476 /nfs/dbraw/zinc/84/84/76/387848476.db2.gz IIFUFUAJOUGXBT-SNVBAGLBSA-N 2 1 223.320 1.570 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)C1C[NH2+]C1 ZINC000423075317 387873936 /nfs/dbraw/zinc/87/39/36/387873936.db2.gz OGFVSQUXVRPMEV-LLVKDONJSA-N 2 1 245.370 1.658 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000423035734 387850790 /nfs/dbraw/zinc/85/07/90/387850790.db2.gz JWNHVSYOMLXTLZ-CQSZACIVSA-N 2 1 237.391 1.370 20 0 BDADMP CC1=CC[N@H+](CCN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000423039145 387852661 /nfs/dbraw/zinc/85/26/61/387852661.db2.gz PXZPMTDXTHEKLU-OLZOCXBDSA-N 2 1 223.364 1.108 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000423039145 387852662 /nfs/dbraw/zinc/85/26/62/387852662.db2.gz PXZPMTDXTHEKLU-OLZOCXBDSA-N 2 1 223.364 1.108 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000423046038 387857052 /nfs/dbraw/zinc/85/70/52/387857052.db2.gz DVMOCIBSHOGBOR-RUZUBIRVSA-N 2 1 238.375 1.532 20 0 BDADMP C[N@@H+]1C[C@H]2CN(Cc3ccncc3)C[C@H]2C1 ZINC000193650867 387859454 /nfs/dbraw/zinc/85/94/54/387859454.db2.gz LLGFZRDGJIITKG-BETUJISGSA-N 2 1 217.316 1.075 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@@H]1CCC[NH2+]1 ZINC000423063706 387867161 /nfs/dbraw/zinc/86/71/61/387867161.db2.gz PJQHXBXNUQZVBJ-UPJWGTAASA-N 2 1 248.374 1.318 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423068163 387870005 /nfs/dbraw/zinc/87/00/05/387870005.db2.gz JGGVPBGTEDWICF-NWDGAFQWSA-N 2 1 228.380 1.515 20 0 BDADMP CC[N@@H+](CCNC(=O)[C@H](C[NH3+])C(C)C)C(C)C ZINC000433148390 387872137 /nfs/dbraw/zinc/87/21/37/387872137.db2.gz AOALPVHMDNYZIJ-GFCCVEGCSA-N 2 1 243.395 1.064 20 0 BDADMP CC(C)[N@H+](C)CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422963147 387814034 /nfs/dbraw/zinc/81/40/34/387814034.db2.gz HRPIBUXEQUJDNJ-NEPJUHHUSA-N 2 1 215.385 1.432 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422963147 387814037 /nfs/dbraw/zinc/81/40/37/387814037.db2.gz HRPIBUXEQUJDNJ-NEPJUHHUSA-N 3 1 215.385 1.432 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422963147 387814041 /nfs/dbraw/zinc/81/40/41/387814041.db2.gz HRPIBUXEQUJDNJ-NEPJUHHUSA-N 3 1 215.385 1.432 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+]1CCCC1 ZINC000422962877 387814421 /nfs/dbraw/zinc/81/44/21/387814421.db2.gz GXVGATFUECMVFM-KBPBESRZSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H]([NH2+]CCc1ccco1)c1c[nH+]ccc1N ZINC000422964309 387815054 /nfs/dbraw/zinc/81/50/54/387815054.db2.gz LHEGBMRGDJEMOZ-SNVBAGLBSA-N 2 1 231.299 1.980 20 0 BDADMP CCOc1ncccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422966674 387817040 /nfs/dbraw/zinc/81/70/40/387817040.db2.gz RRAIWFVECDYXPV-QWRGUYRKSA-N 2 1 237.347 1.696 20 0 BDADMP C[C@@H]([NH2+]CCOCC(F)F)c1c[nH+]ccc1N ZINC000423069034 387872700 /nfs/dbraw/zinc/87/27/00/387872700.db2.gz LHWKAXKZZKGYIX-MRVPVSSYSA-N 2 1 245.273 1.426 20 0 BDADMP COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])ccn1 ZINC000422968364 387818385 /nfs/dbraw/zinc/81/83/85/387818385.db2.gz WNCMUUFBWPQDOE-STQMWFEESA-N 2 1 249.358 1.840 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C)[NH3+])C[C@H]1C ZINC000442666662 387818837 /nfs/dbraw/zinc/81/88/37/387818837.db2.gz VWGNDIYRABCNMW-TUAOUCFPSA-N 2 1 213.369 1.138 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422969257 387819308 /nfs/dbraw/zinc/81/93/08/387819308.db2.gz ZIULBFXMUZZKFW-KGLIPLIRSA-N 2 1 241.423 1.966 20 0 BDADMP Cc1ncccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194541027 387889631 /nfs/dbraw/zinc/88/96/31/387889631.db2.gz GQJGZCSRPDAZND-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1ncccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194541027 387889633 /nfs/dbraw/zinc/88/96/33/387889633.db2.gz GQJGZCSRPDAZND-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194541027 387889638 /nfs/dbraw/zinc/88/96/38/387889638.db2.gz GQJGZCSRPDAZND-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194541027 387889643 /nfs/dbraw/zinc/88/96/43/387889643.db2.gz GQJGZCSRPDAZND-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP CC[C@@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000322502276 387877405 /nfs/dbraw/zinc/87/74/05/387877405.db2.gz GKXVQPKNXTUNFX-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCC[NH3+] ZINC000423082894 387878141 /nfs/dbraw/zinc/87/81/41/387878141.db2.gz FCGOBKBJPIMKSS-NWDGAFQWSA-N 3 1 215.385 1.434 20 0 BDADMP CSC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423082984 387878554 /nfs/dbraw/zinc/87/85/54/387878554.db2.gz GADXYMJBIQREMN-WDEREUQCSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423093105 387883371 /nfs/dbraw/zinc/88/33/71/387883371.db2.gz FTZNEKZNZVBJEB-RWMBFGLXSA-N 2 1 242.407 1.904 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCC[C@H]1C[NH3+] ZINC000423141908 387918657 /nfs/dbraw/zinc/91/86/57/387918657.db2.gz SJBCBHYYYCUREI-IHRRRGAJSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423118620 387900694 /nfs/dbraw/zinc/90/06/94/387900694.db2.gz BNNPYTOKFXXWHU-MNOVXSKESA-N 2 1 214.328 1.856 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423125480 387904641 /nfs/dbraw/zinc/90/46/41/387904641.db2.gz QQCSRWJZINVWKG-STQMWFEESA-N 3 1 229.412 1.824 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423125480 387904643 /nfs/dbraw/zinc/90/46/43/387904643.db2.gz QQCSRWJZINVWKG-STQMWFEESA-N 3 1 229.412 1.824 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000236743674 387906219 /nfs/dbraw/zinc/90/62/19/387906219.db2.gz YCKXNXADMVXWGX-GFCCVEGCSA-N 2 1 243.395 1.350 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423133159 387910197 /nfs/dbraw/zinc/91/01/97/387910197.db2.gz CHAZPGBTAQKELW-HZSPNIEDSA-N 2 1 241.423 1.837 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423138132 387916928 /nfs/dbraw/zinc/91/69/28/387916928.db2.gz SFISURFLESHJRL-BDAKNGLRSA-N 2 1 225.336 1.761 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423153066 387932837 /nfs/dbraw/zinc/93/28/37/387932837.db2.gz MXQLFZOZBAIPQN-VOAKCMCISA-N 2 1 210.365 1.866 20 0 BDADMP CC[C@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423145930 387922155 /nfs/dbraw/zinc/92/21/55/387922155.db2.gz NDQOTSLLBACBSF-YECOWLKZSA-N 2 1 214.328 1.997 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000423146066 387922317 /nfs/dbraw/zinc/92/23/17/387922317.db2.gz NSHFXOUPHCSCBS-RWMBFGLXSA-N 2 1 228.380 1.922 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)OC ZINC000423147741 387924969 /nfs/dbraw/zinc/92/49/69/387924969.db2.gz SRGDTSCRKPRZOZ-QWRGUYRKSA-N 2 1 237.347 1.960 20 0 BDADMP CC(C)OCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424286689 387952335 /nfs/dbraw/zinc/95/23/35/387952335.db2.gz HUAYBHWFKUMKRS-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1occc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000321189309 387956525 /nfs/dbraw/zinc/95/65/25/387956525.db2.gz FVMXTDULEKDPIO-UHFFFAOYSA-N 2 1 220.316 1.940 20 0 BDADMP CC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000044535184 387937657 /nfs/dbraw/zinc/93/76/57/387937657.db2.gz FCVWTAXSTRILTK-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423159537 387941071 /nfs/dbraw/zinc/94/10/71/387941071.db2.gz FVWMRDSHIIBAPD-FVCCEPFGSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]1CCNC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423160456 387941294 /nfs/dbraw/zinc/94/12/94/387941294.db2.gz HITONEYTTRXRIY-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423160456 387941300 /nfs/dbraw/zinc/94/13/00/387941300.db2.gz HITONEYTTRXRIY-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423160456 387941306 /nfs/dbraw/zinc/94/13/06/387941306.db2.gz HITONEYTTRXRIY-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000423166717 387949774 /nfs/dbraw/zinc/94/97/74/387949774.db2.gz VYFYYFWGQGVNBU-PWSUYJOCSA-N 2 1 237.347 1.844 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423170324 387958021 /nfs/dbraw/zinc/95/80/21/387958021.db2.gz LPGAUAPLKRVLMD-YNEHKIRRSA-N 3 1 227.396 1.434 20 0 BDADMP COc1cccc(C[C@H]([NH2+]CC[NH3+])C2CC2)c1 ZINC000423185274 387970111 /nfs/dbraw/zinc/97/01/11/387970111.db2.gz NGRLPHJECBOTSS-AWEZNQCLSA-N 2 1 234.343 1.565 20 0 BDADMP CSc1ccccc1C[C@H](C)[NH2+]CC[NH3+] ZINC000423188051 387971952 /nfs/dbraw/zinc/97/19/52/387971952.db2.gz POAYASOPZOCIPI-JTQLQIEISA-N 2 1 224.373 1.888 20 0 BDADMP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)nc1 ZINC000423170781 387957139 /nfs/dbraw/zinc/95/71/39/387957139.db2.gz YVIHWCYGYIBRNF-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccncn2)C1 ZINC000453090652 387981515 /nfs/dbraw/zinc/98/15/15/387981515.db2.gz KQIVCKKOCCUEGX-OLZOCXBDSA-N 2 1 248.374 1.859 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423201813 387988269 /nfs/dbraw/zinc/98/82/69/387988269.db2.gz PRMSPBSHIPKOAE-MGPQQGTHSA-N 3 1 239.407 1.496 20 0 BDADMP C[NH2+]CCC[NH2+][C@H]1CCCc2occc21 ZINC000423199365 387986354 /nfs/dbraw/zinc/98/63/54/387986354.db2.gz JXRRBLJOVXMOEI-NSHDSACASA-N 2 1 208.305 1.856 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424376528 387998991 /nfs/dbraw/zinc/99/89/91/387998991.db2.gz PMQUTBZUICFCLG-GWNIPJSYSA-N 2 1 208.349 1.763 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)[C@H](C)C1 ZINC000245992397 388001564 /nfs/dbraw/zinc/00/15/64/388001564.db2.gz QXJYHZGGAVSNPG-YVECIDJPSA-N 2 1 240.391 1.466 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1(C(=O)OC)CCC1 ZINC000423220698 388002341 /nfs/dbraw/zinc/00/23/41/388002341.db2.gz YGPJUUQDUDCMAD-GHMZBOCLSA-N 2 1 240.347 1.060 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH2+]C)C12CCCCC2 ZINC000423223247 388003708 /nfs/dbraw/zinc/00/37/08/388003708.db2.gz FPUXSSWJOAYFFG-OLZOCXBDSA-N 2 1 240.391 1.923 20 0 BDADMP CCC1(CC)[C@H]([NH2+]CC[NH2+]C)C[C@H]1OC ZINC000423223308 388004326 /nfs/dbraw/zinc/00/43/26/388004326.db2.gz FWXMULDNNRKNIX-GHMZBOCLSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423223358 388004561 /nfs/dbraw/zinc/00/45/61/388004561.db2.gz GDNHXIWRVJRMSK-RYUDHWBXSA-N 2 1 236.359 1.996 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1CCOC1)C(C)C ZINC000156581353 388005714 /nfs/dbraw/zinc/00/57/14/388005714.db2.gz KSVPNGQZCADZPG-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1CCOC1)C(C)C ZINC000156581353 388005717 /nfs/dbraw/zinc/00/57/17/388005717.db2.gz KSVPNGQZCADZPG-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000156589609 388006296 /nfs/dbraw/zinc/00/62/96/388006296.db2.gz WYJMVCXMDXEIPF-DRZSPHRISA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000156589609 388006300 /nfs/dbraw/zinc/00/63/00/388006300.db2.gz WYJMVCXMDXEIPF-DRZSPHRISA-N 2 1 226.364 1.484 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423230210 388015950 /nfs/dbraw/zinc/01/59/50/388015950.db2.gz CYLGHOJHGBUGQM-RYUDHWBXSA-N 2 1 214.353 1.391 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000423236394 388021652 /nfs/dbraw/zinc/02/16/52/388021652.db2.gz CFRZMEOVCXUVFG-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](CC)C1(C(=O)OC)CCC1 ZINC000423252132 388032941 /nfs/dbraw/zinc/03/29/41/388032941.db2.gz XCYVIOBVXHXCCP-LLVKDONJSA-N 2 1 242.363 1.307 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000453283476 388033118 /nfs/dbraw/zinc/03/31/18/388033118.db2.gz JLDSDNGIJQPGTL-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423250870 388034335 /nfs/dbraw/zinc/03/43/35/388034335.db2.gz UVSFKDIZQGBNQT-QWRGUYRKSA-N 2 1 200.326 1.001 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000423253758 388035586 /nfs/dbraw/zinc/03/55/86/388035586.db2.gz ZRLPLRVQBCXGIR-STQMWFEESA-N 2 1 240.391 1.923 20 0 BDADMP c1ccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000082432949 388035682 /nfs/dbraw/zinc/03/56/82/388035682.db2.gz HIXKJDUNVDVNED-CABCVRRESA-N 2 1 246.354 1.639 20 0 BDADMP COCCC[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423258346 388038239 /nfs/dbraw/zinc/03/82/39/388038239.db2.gz BJBXNQVZERFSCJ-VXGBXAGGSA-N 2 1 216.369 1.765 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000423264685 388042741 /nfs/dbraw/zinc/04/27/41/388042741.db2.gz QATKILUAOQTYHO-WRWGMCAJSA-N 2 1 214.353 1.515 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423266134 388043989 /nfs/dbraw/zinc/04/39/89/388043989.db2.gz CWVURPARESZDEN-WUHRBBMRSA-N 2 1 227.396 1.160 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423266134 388043990 /nfs/dbraw/zinc/04/39/90/388043990.db2.gz CWVURPARESZDEN-WUHRBBMRSA-N 3 1 227.396 1.160 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423266134 388043992 /nfs/dbraw/zinc/04/39/92/388043992.db2.gz CWVURPARESZDEN-WUHRBBMRSA-N 3 1 227.396 1.160 20 0 BDADMP C[C@@]1(F)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000258105613 135132107 /nfs/dbraw/zinc/13/21/07/135132107.db2.gz OGRLXTMWNVSTPP-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@]1(F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000258105613 135132108 /nfs/dbraw/zinc/13/21/08/135132108.db2.gz OGRLXTMWNVSTPP-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423244884 388028602 /nfs/dbraw/zinc/02/86/02/388028602.db2.gz XXZVTPHTGOFCNE-FRRDWIJNSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000246304849 388030136 /nfs/dbraw/zinc/03/01/36/388030136.db2.gz DITXTYVORMTEJH-KGYLQXTDSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000246304849 388030139 /nfs/dbraw/zinc/03/01/39/388030139.db2.gz DITXTYVORMTEJH-KGYLQXTDSA-N 2 1 248.374 1.339 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000423272084 388051286 /nfs/dbraw/zinc/05/12/86/388051286.db2.gz JSXPZKYYCVMFHZ-NEPJUHHUSA-N 2 1 238.379 1.970 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000423275217 388056498 /nfs/dbraw/zinc/05/64/98/388056498.db2.gz MXMAMTUOJHTFFA-MELADBBJSA-N 2 1 239.407 1.496 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000423283103 388065444 /nfs/dbraw/zinc/06/54/44/388065444.db2.gz XDLKNMKIXXODOT-NEPJUHHUSA-N 2 1 221.348 1.896 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)[C@H](C)C1 ZINC000453400766 388072512 /nfs/dbraw/zinc/07/25/12/388072512.db2.gz CZCJAVCMILGXAC-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cnn(C)c1 ZINC000423288897 388074375 /nfs/dbraw/zinc/07/43/75/388074375.db2.gz VQBJYLHDRBRGEK-SNVBAGLBSA-N 2 1 210.325 1.198 20 0 BDADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cnn(C)c1 ZINC000423288896 388074940 /nfs/dbraw/zinc/07/49/40/388074940.db2.gz VQBJYLHDRBRGEK-JTQLQIEISA-N 2 1 210.325 1.198 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000423297091 388078019 /nfs/dbraw/zinc/07/80/19/388078019.db2.gz IRGLACPRLHCFAN-NNYUYHANSA-N 2 1 214.353 1.659 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccnc1 ZINC000084384804 388078291 /nfs/dbraw/zinc/07/82/91/388078291.db2.gz SGFZKZTTYRNPHV-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1CCOC1)C1CC1 ZINC000453413913 388078685 /nfs/dbraw/zinc/07/86/85/388078685.db2.gz WTEXMMKDAUYIJK-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423296962 388078802 /nfs/dbraw/zinc/07/88/02/388078802.db2.gz ICOJFBMLOXDIKI-AAVRWANBSA-N 2 1 241.423 1.822 20 0 BDADMP CCCN(c1cc[nH+]c(N(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000085432156 388088067 /nfs/dbraw/zinc/08/80/67/388088067.db2.gz CUVQSZSWOSWTJH-NSHDSACASA-N 2 1 249.362 1.121 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)O1 ZINC000453631124 388095910 /nfs/dbraw/zinc/09/59/10/388095910.db2.gz NQCDGVGGBTUSFB-DGCLKSJQSA-N 2 1 249.358 1.805 20 0 BDADMP CC[C@H](C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789805 388096648 /nfs/dbraw/zinc/09/66/48/388096648.db2.gz ZHCRBYREBDHPHY-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789805 388096650 /nfs/dbraw/zinc/09/66/50/388096650.db2.gz ZHCRBYREBDHPHY-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789800 388096678 /nfs/dbraw/zinc/09/66/78/388096678.db2.gz ZHCRBYREBDHPHY-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789800 388096681 /nfs/dbraw/zinc/09/66/81/388096681.db2.gz ZHCRBYREBDHPHY-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000086696232 388106889 /nfs/dbraw/zinc/10/68/89/388106889.db2.gz JBVYLZGLLCQPLO-GSPSYOTPSA-N 2 1 240.391 1.872 20 0 BDADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000086871363 388109044 /nfs/dbraw/zinc/10/90/44/388109044.db2.gz SKQIFWHEGOZGIF-MCIONIFRSA-N 2 1 238.375 1.772 20 0 BDADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000086871363 388109048 /nfs/dbraw/zinc/10/90/48/388109048.db2.gz SKQIFWHEGOZGIF-MCIONIFRSA-N 2 1 238.375 1.772 20 0 BDADMP C([NH2+][C@H]1CCCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086873336 388109629 /nfs/dbraw/zinc/10/96/29/388109629.db2.gz DUPIZUHAGIVNAG-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP COCC1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000449059947 388136763 /nfs/dbraw/zinc/13/67/63/388136763.db2.gz DJOPQDBRWGCRIJ-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000449112938 388144919 /nfs/dbraw/zinc/14/49/19/388144919.db2.gz DXLGBGDCSZVKCB-NWDGAFQWSA-N 2 1 243.395 1.221 20 0 BDADMP CCc1cc(N[C@H]2CCC[N@@H+](C)[C@H]2C)cc[nH+]1 ZINC000450437961 388256218 /nfs/dbraw/zinc/25/62/18/388256218.db2.gz LRWVUDYWTYHLBA-FZMZJTMJSA-N 2 1 233.359 1.961 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)O)[C@H](C)C1 ZINC000449451555 388209484 /nfs/dbraw/zinc/20/94/84/388209484.db2.gz RLBOVNAEWCGQQC-UPJWGTAASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCF ZINC000261528782 135154141 /nfs/dbraw/zinc/15/41/41/135154141.db2.gz NVAQGFHURUTYTE-MNOVXSKESA-N 2 1 202.317 1.856 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1COCC1(C)C ZINC000451816369 388298201 /nfs/dbraw/zinc/29/82/01/388298201.db2.gz YSFDUJUUYDWAHU-LBPRGKRZSA-N 2 1 237.347 1.596 20 0 BDADMP CC(C)[C@H]1C[N@H+](CC(C)(C)[NH3+])CCS1 ZINC000261532184 135162824 /nfs/dbraw/zinc/16/28/24/135162824.db2.gz JNSOXBAZOCYVBY-SNVBAGLBSA-N 2 1 216.394 1.797 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC(C)(C)[NH3+])CCS1 ZINC000261532184 135162826 /nfs/dbraw/zinc/16/28/26/135162826.db2.gz JNSOXBAZOCYVBY-SNVBAGLBSA-N 2 1 216.394 1.797 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000163322937 388360638 /nfs/dbraw/zinc/36/06/38/388360638.db2.gz BYLKVGZRLDYSCQ-OLZOCXBDSA-N 2 1 228.380 1.589 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000235529042 388370489 /nfs/dbraw/zinc/37/04/89/388370489.db2.gz YIANNWQKFAQFMH-JQWIXIFHSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2C[NH2+]C2)C1 ZINC000572749226 388372836 /nfs/dbraw/zinc/37/28/36/388372836.db2.gz KBOTUUDKARUOCN-TZMCWYRMSA-N 2 1 245.370 1.383 20 0 BDADMP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000572760948 388374780 /nfs/dbraw/zinc/37/47/80/388374780.db2.gz KMEVKWBCBXRJOK-VXGBXAGGSA-N 2 1 241.379 1.103 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000572855501 388382075 /nfs/dbraw/zinc/38/20/75/388382075.db2.gz BJFOIOWIUKFJJS-RDBSUJKOSA-N 2 1 239.407 1.720 20 0 BDADMP Cc1nocc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000293210325 388387617 /nfs/dbraw/zinc/38/76/17/388387617.db2.gz JHXNOCWVSMCJJF-UHFFFAOYSA-N 2 1 221.304 1.335 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000397264852 388455837 /nfs/dbraw/zinc/45/58/37/388455837.db2.gz ISELQNXNDRMBPI-UMVBOHGHSA-N 2 1 247.386 1.929 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000573197715 388430222 /nfs/dbraw/zinc/43/02/22/388430222.db2.gz WKULTDFOTIRTST-ROKHWSDSSA-N 3 1 239.407 1.435 20 0 BDADMP CN1CCC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000573197715 388430226 /nfs/dbraw/zinc/43/02/26/388430226.db2.gz WKULTDFOTIRTST-ROKHWSDSSA-N 2 1 239.407 1.435 20 0 BDADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000322491553 388436548 /nfs/dbraw/zinc/43/65/48/388436548.db2.gz CFGBNIWWMXILIK-FRRDWIJNSA-N 2 1 228.380 1.874 20 0 BDADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353625291 388542792 /nfs/dbraw/zinc/54/27/92/388542792.db2.gz FXUDARNSPPVKCO-STQMWFEESA-N 2 1 234.347 1.169 20 0 BDADMP CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000517236440 388544420 /nfs/dbraw/zinc/54/44/20/388544420.db2.gz WHIAZRDERVDKIS-TXEJJXNPSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000310433992 388482994 /nfs/dbraw/zinc/48/29/94/388482994.db2.gz NWPVFMDBBWTEIE-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000310433992 388482997 /nfs/dbraw/zinc/48/29/97/388482997.db2.gz NWPVFMDBBWTEIE-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@H](C)C1 ZINC000310433992 388482998 /nfs/dbraw/zinc/48/29/98/388482998.db2.gz NWPVFMDBBWTEIE-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000310433992 388483001 /nfs/dbraw/zinc/48/30/01/388483001.db2.gz NWPVFMDBBWTEIE-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP OC1(CC[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000397606033 388483363 /nfs/dbraw/zinc/48/33/63/388483363.db2.gz ADWNPWQZEXMNJF-UHFFFAOYSA-N 2 1 238.375 1.508 20 0 BDADMP Cc1ccncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000135457246 388496881 /nfs/dbraw/zinc/49/68/81/388496881.db2.gz SXVKNNVRZAHFNI-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccncc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000135457246 388496882 /nfs/dbraw/zinc/49/68/82/388496882.db2.gz SXVKNNVRZAHFNI-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP CC[NH+]1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000397797497 388500526 /nfs/dbraw/zinc/50/05/26/388500526.db2.gz UKSWCEXJIWCVFF-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000398053827 388516350 /nfs/dbraw/zinc/51/63/50/388516350.db2.gz GVRLKKKROOPZKO-ZYHUDNBSSA-N 2 1 223.320 1.590 20 0 BDADMP COC1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000346313928 388519765 /nfs/dbraw/zinc/51/97/65/388519765.db2.gz HRNCFBXMKZLIIL-UHFFFAOYSA-N 2 1 238.375 1.796 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncs3)C[C@H]12 ZINC000261529648 388529403 /nfs/dbraw/zinc/52/94/03/388529403.db2.gz BGDUTHWUCFHKPQ-INTQDDNPSA-N 2 1 223.345 1.312 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]12 ZINC000261529648 388529405 /nfs/dbraw/zinc/52/94/05/388529405.db2.gz BGDUTHWUCFHKPQ-INTQDDNPSA-N 2 1 223.345 1.312 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncs3)C[C@@H]12 ZINC000261529649 388529602 /nfs/dbraw/zinc/52/96/02/388529602.db2.gz BGDUTHWUCFHKPQ-JMJZKYOTSA-N 2 1 223.345 1.312 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]12 ZINC000261529649 388529606 /nfs/dbraw/zinc/52/96/06/388529606.db2.gz BGDUTHWUCFHKPQ-JMJZKYOTSA-N 2 1 223.345 1.312 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186493850 388600491 /nfs/dbraw/zinc/60/04/91/388600491.db2.gz MVWZRMHOXCJXBK-CLQVMCNMSA-N 2 1 238.375 1.530 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000356829147 388550878 /nfs/dbraw/zinc/55/08/78/388550878.db2.gz CWWYFONOVLCLQN-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000356829147 388550880 /nfs/dbraw/zinc/55/08/80/388550880.db2.gz CWWYFONOVLCLQN-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCOC1 ZINC000356829151 388551222 /nfs/dbraw/zinc/55/12/22/388551222.db2.gz CWWYFONOVLCLQN-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCOC1 ZINC000356829151 388551225 /nfs/dbraw/zinc/55/12/25/388551225.db2.gz CWWYFONOVLCLQN-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP CCn1c(C[NH2+]C[C@H](C)C[NH3+])nc2ccccc21 ZINC000517534092 388551955 /nfs/dbraw/zinc/55/19/55/388551955.db2.gz KFRSBNBMJZYSOG-LLVKDONJSA-N 2 1 246.358 1.741 20 0 BDADMP C[C@H](C[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000357084601 388552699 /nfs/dbraw/zinc/55/26/99/388552699.db2.gz RSZYHPNDOHWUDT-CYBMUJFWSA-N 2 1 236.359 1.697 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000517712904 388557446 /nfs/dbraw/zinc/55/74/46/388557446.db2.gz QEHOFGURYGXELK-YNEHKIRRSA-N 3 1 225.380 1.106 20 0 BDADMP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cn1 ZINC000521225954 388565758 /nfs/dbraw/zinc/56/57/58/388565758.db2.gz OUQGPBYYDMRIKQ-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367626635 388566225 /nfs/dbraw/zinc/56/62/25/388566225.db2.gz PPIRKHCEDNOUDZ-PWSUYJOCSA-N 2 1 236.363 1.717 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000385061702 388573330 /nfs/dbraw/zinc/57/33/30/388573330.db2.gz UPBDZKFUKABZEG-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000385061540 388573620 /nfs/dbraw/zinc/57/36/20/388573620.db2.gz UMRSQPAGKXKTSU-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cn1 ZINC000521225953 256837723 /nfs/dbraw/zinc/83/77/23/256837723.db2.gz OUQGPBYYDMRIKQ-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224546040 388666107 /nfs/dbraw/zinc/66/61/07/388666107.db2.gz GIKJYUZLIXAAKB-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)(C)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000261596314 135235991 /nfs/dbraw/zinc/23/59/91/135235991.db2.gz YSCONEGAKLMLSV-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@H](C)C1 ZINC000248046618 388673211 /nfs/dbraw/zinc/67/32/11/388673211.db2.gz VEKWWMHJTALQDO-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]([NH3+])CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000521619819 388619175 /nfs/dbraw/zinc/61/91/75/388619175.db2.gz AIQIEEXBSOIERG-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000530177843 388621149 /nfs/dbraw/zinc/62/11/49/388621149.db2.gz IMDZYZDLDBLVCJ-MJBXVCDLSA-N 2 1 249.402 1.487 20 0 BDADMP CC1(C)CC(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000530219012 388632036 /nfs/dbraw/zinc/63/20/36/388632036.db2.gz IMQRHQXIYVXWFQ-QWHCGFSZSA-N 2 1 222.376 1.964 20 0 BDADMP C[C@H]1CC(F)(F)CC[N@H+]1CCOCC[NH3+] ZINC000530232451 388636589 /nfs/dbraw/zinc/63/65/89/388636589.db2.gz PNLNRXZJLFKQLV-VIFPVBQESA-N 2 1 222.279 1.081 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000223089462 388648513 /nfs/dbraw/zinc/64/85/13/388648513.db2.gz QJLZJUBUBXQEIY-MELADBBJSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223089462 388648515 /nfs/dbraw/zinc/64/85/15/388648515.db2.gz QJLZJUBUBXQEIY-MELADBBJSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223089462 388648519 /nfs/dbraw/zinc/64/85/19/388648519.db2.gz QJLZJUBUBXQEIY-MELADBBJSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC[N@H+]1C ZINC000223683018 388656776 /nfs/dbraw/zinc/65/67/76/388656776.db2.gz IPCUVCUCRHZGBG-AGIUHOORSA-N 2 1 242.407 1.856 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000190953307 388659377 /nfs/dbraw/zinc/65/93/77/388659377.db2.gz KMXIZYQBHGSHJX-CHWSQXEVSA-N 2 1 249.358 1.805 20 0 BDADMP COC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124324723 388662680 /nfs/dbraw/zinc/66/26/80/388662680.db2.gz JQZQZIQXUXQWTA-UPJWGTAASA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124324723 388662681 /nfs/dbraw/zinc/66/26/81/388662681.db2.gz JQZQZIQXUXQWTA-UPJWGTAASA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124324723 388662683 /nfs/dbraw/zinc/66/26/83/388662683.db2.gz JQZQZIQXUXQWTA-UPJWGTAASA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124324723 388662685 /nfs/dbraw/zinc/66/26/85/388662685.db2.gz JQZQZIQXUXQWTA-UPJWGTAASA-N 2 1 228.380 1.683 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)COC)C1 ZINC000249948409 388734547 /nfs/dbraw/zinc/73/45/47/388734547.db2.gz USMVYLLRWOPXOT-STQMWFEESA-N 2 1 228.380 1.590 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccn1 ZINC000128135248 388738764 /nfs/dbraw/zinc/73/87/64/388738764.db2.gz FKDGXTVVPQPDFF-OCCSQVGLSA-N 2 1 233.359 1.554 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CCOC1 ZINC000250832561 388741557 /nfs/dbraw/zinc/74/15/57/388741557.db2.gz JPXKDXXEUODRLV-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000251535955 388748879 /nfs/dbraw/zinc/74/88/79/388748879.db2.gz KNYZEJJRHDJDDL-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCO)[C@@H](C)C1 ZINC000248655518 388688412 /nfs/dbraw/zinc/68/84/12/388688412.db2.gz BOWWEKUGLHGLBL-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000248734732 388692049 /nfs/dbraw/zinc/69/20/49/388692049.db2.gz BSCBFNJPFCSRII-CRWXNKLISA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000248734732 388692051 /nfs/dbraw/zinc/69/20/51/388692051.db2.gz BSCBFNJPFCSRII-CRWXNKLISA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000248734732 388692054 /nfs/dbraw/zinc/69/20/54/388692054.db2.gz BSCBFNJPFCSRII-CRWXNKLISA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]1CO ZINC000248941151 388700079 /nfs/dbraw/zinc/70/00/79/388700079.db2.gz NYNRJIIERZFAIW-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)CCSCC[C@H]1CCC[N@H+]1C ZINC000126768362 388701671 /nfs/dbraw/zinc/70/16/71/388701671.db2.gz JSQVTBOWZCSRDE-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](OC)C2)[C@@H](C)C1 ZINC000249015494 388704331 /nfs/dbraw/zinc/70/43/31/388704331.db2.gz JFMYQWBKZCXZEW-DGAVXFQQSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000249088824 388707716 /nfs/dbraw/zinc/70/77/16/388707716.db2.gz NPSLIAGNODBOFK-KSTCHIGDSA-N 2 1 240.391 1.466 20 0 BDADMP CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000229514189 388791920 /nfs/dbraw/zinc/79/19/20/388791920.db2.gz MLGUESVIURUJTG-WDEREUQCSA-N 2 1 216.394 1.812 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000253126115 388805297 /nfs/dbraw/zinc/80/52/97/388805297.db2.gz RCDDHLHRFCIKDH-WOPDTQHZSA-N 2 1 214.353 1.328 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000251980458 388758622 /nfs/dbraw/zinc/75/86/22/388758622.db2.gz VJBQEEIQVLEXDQ-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000251980458 388758626 /nfs/dbraw/zinc/75/86/26/388758626.db2.gz VJBQEEIQVLEXDQ-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000251980458 388758628 /nfs/dbraw/zinc/75/86/28/388758628.db2.gz VJBQEEIQVLEXDQ-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)CC[N@H+]1C ZINC000252127316 388760926 /nfs/dbraw/zinc/76/09/26/388760926.db2.gz LOOBJBFPGJOIDU-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732388 388778412 /nfs/dbraw/zinc/77/84/12/388778412.db2.gz UWRPUIFLBSUQPP-KSTCHIGDSA-N 2 1 240.391 1.608 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000129863139 388873447 /nfs/dbraw/zinc/87/34/47/388873447.db2.gz JJFPLVYKCOTALF-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCOCC2CC2)CC[N@H+]1C ZINC000129822004 388872541 /nfs/dbraw/zinc/87/25/41/388872541.db2.gz OFSXUOFVNNYPLX-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1(F)CC1 ZINC000564496299 388876953 /nfs/dbraw/zinc/87/69/53/388876953.db2.gz JODGFARIUFYFNJ-UHFFFAOYSA-N 2 1 243.370 1.058 20 0 BDADMP COC(=O)CC1(C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000564988279 388905528 /nfs/dbraw/zinc/90/55/28/388905528.db2.gz XSDDRFSZYNOSKC-LLVKDONJSA-N 2 1 240.347 1.000 20 0 BDADMP COC(=O)CC1(C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000564988279 388905531 /nfs/dbraw/zinc/90/55/31/388905531.db2.gz XSDDRFSZYNOSKC-LLVKDONJSA-N 2 1 240.347 1.000 20 0 BDADMP CC(C)[N@H+]1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000565038899 388910200 /nfs/dbraw/zinc/91/02/00/388910200.db2.gz VOPRPSGJGPKDBK-GFCCVEGCSA-N 2 1 241.379 1.057 20 0 BDADMP CCC[N@H+](CC)CCNCc1c[nH+]c(C)n1C ZINC000565963246 388982015 /nfs/dbraw/zinc/98/20/15/388982015.db2.gz UCNVEBGXTGAUQF-UHFFFAOYSA-N 2 1 238.379 1.550 20 0 BDADMP CCC[N@@H+](CC)CCNCc1c[nH+]c(C)n1C ZINC000565963246 388982018 /nfs/dbraw/zinc/98/20/18/388982018.db2.gz UCNVEBGXTGAUQF-UHFFFAOYSA-N 2 1 238.379 1.550 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268879652 389005468 /nfs/dbraw/zinc/00/54/68/389005468.db2.gz RDECVQUMEZJIMG-MNOVXSKESA-N 2 1 225.336 1.595 20 0 BDADMP CC[C@H](COC)[NH2+]CCCn1cc[nH+]c1C ZINC000268886603 389005635 /nfs/dbraw/zinc/00/56/35/389005635.db2.gz SSAUAJYDDHHQPO-GFCCVEGCSA-N 2 1 225.336 1.596 20 0 BDADMP Cc1csc(C[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000271891609 389026995 /nfs/dbraw/zinc/02/69/95/389026995.db2.gz OPEHBPPLSCPJRW-UHFFFAOYSA-N 2 1 237.372 1.803 20 0 BDADMP Cc1csc(C[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000271891609 389026997 /nfs/dbraw/zinc/02/69/97/389026997.db2.gz OPEHBPPLSCPJRW-UHFFFAOYSA-N 2 1 237.372 1.803 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2C(F)F)CC1 ZINC000348145063 136039224 /nfs/dbraw/zinc/03/92/24/136039224.db2.gz CCUWWCMNLHUCGN-VHSXEESVSA-N 2 1 218.291 1.714 20 0 BDADMP C([NH2+]C[C@@H]1CCSC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000224379536 533368522 /nfs/dbraw/zinc/36/85/22/533368522.db2.gz JBZZXYQOZYHBCX-NEPJUHHUSA-N 2 1 240.416 1.813 20 0 BDADMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCOC1 ZINC000250828329 533370797 /nfs/dbraw/zinc/37/07/97/533370797.db2.gz ICLUQDZNYPWMJB-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCOC1 ZINC000250828329 533370801 /nfs/dbraw/zinc/37/08/01/533370801.db2.gz ICLUQDZNYPWMJB-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1cccc(N2CCC[C@@H](C[NH3+])C2)[nH+]1 ZINC000044532134 132224852 /nfs/dbraw/zinc/22/48/52/132224852.db2.gz FSMWPRBAHMJEDF-NSHDSACASA-N 2 1 205.305 1.565 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[C@@H]1CCC[NH+]1C ZINC000351925670 134007349 /nfs/dbraw/zinc/00/73/49/134007349.db2.gz FHQYIAVJIWIBDQ-MCIONIFRSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000351925670 134007350 /nfs/dbraw/zinc/00/73/50/134007350.db2.gz FHQYIAVJIWIBDQ-MCIONIFRSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[C@@H]1CCC[N@H+]1C ZINC000351925670 134007351 /nfs/dbraw/zinc/00/73/51/134007351.db2.gz FHQYIAVJIWIBDQ-MCIONIFRSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@@H+](C)CC12CCCCC2 ZINC000336171662 134115325 /nfs/dbraw/zinc/11/53/25/134115325.db2.gz LTNUPNYTHPMREX-GFCCVEGCSA-N 2 1 225.380 1.284 20 0 BDADMP C[C@H]([NH3+])CN1CC[N@@H+](C)CC12CCCCC2 ZINC000336171672 134115387 /nfs/dbraw/zinc/11/53/87/134115387.db2.gz LTNUPNYTHPMREX-LBPRGKRZSA-N 2 1 225.380 1.284 20 0 BDADMP [NH3+][C@H](CNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000168234239 134160750 /nfs/dbraw/zinc/16/07/50/134160750.db2.gz FPMDHIJQKVRMGV-SECBINFHSA-N 2 1 216.288 1.712 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000168705150 134246467 /nfs/dbraw/zinc/24/64/67/134246467.db2.gz POGIJXCSSGIMQV-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP CCN1CCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168705150 134246468 /nfs/dbraw/zinc/24/64/68/134246468.db2.gz POGIJXCSSGIMQV-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCO1 ZINC000168934812 134249168 /nfs/dbraw/zinc/24/91/68/134249168.db2.gz WJQADPZNLFFCHD-DGAVXFQQSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCO1 ZINC000168934812 134249169 /nfs/dbraw/zinc/24/91/69/134249169.db2.gz WJQADPZNLFFCHD-DGAVXFQQSA-N 2 1 238.375 1.770 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000219754282 134290882 /nfs/dbraw/zinc/29/08/82/134290882.db2.gz GWVWTAYJWVNJNN-SWLSCSKDSA-N 2 1 248.370 1.907 20 0 BDADMP C1C[C@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C1 ZINC000178958881 134313785 /nfs/dbraw/zinc/31/37/85/134313785.db2.gz BFROUUUEOMLWIE-QNSTZXKLSA-N 2 1 236.359 1.523 20 0 BDADMP Cn1cc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cn1 ZINC000178980352 134314103 /nfs/dbraw/zinc/31/41/03/134314103.db2.gz SYOHOPKBWKLOEK-AWEZNQCLSA-N 2 1 248.374 1.557 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](C)C1 ZINC000179038993 134314382 /nfs/dbraw/zinc/31/43/82/134314382.db2.gz SHPMFQYRADHPHU-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](C)C1 ZINC000179038993 134314383 /nfs/dbraw/zinc/31/43/83/134314383.db2.gz SHPMFQYRADHPHU-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP C[C@@H]1CSCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179249603 134319384 /nfs/dbraw/zinc/31/93/84/134319384.db2.gz URJKUOIPASQPNQ-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1CSCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179249603 134319385 /nfs/dbraw/zinc/31/93/85/134319385.db2.gz URJKUOIPASQPNQ-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1CSCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000179249603 134319386 /nfs/dbraw/zinc/31/93/86/134319386.db2.gz URJKUOIPASQPNQ-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1CSCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000179249603 134319387 /nfs/dbraw/zinc/31/93/87/134319387.db2.gz URJKUOIPASQPNQ-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP CC(C)[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000179308645 134319929 /nfs/dbraw/zinc/31/99/29/134319929.db2.gz YEODWFGIHNHRNY-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000179308645 134319930 /nfs/dbraw/zinc/31/99/30/134319930.db2.gz YEODWFGIHNHRNY-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000179308645 134319931 /nfs/dbraw/zinc/31/99/31/134319931.db2.gz YEODWFGIHNHRNY-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223065721 134336196 /nfs/dbraw/zinc/33/61/96/134336196.db2.gz UBHNYMVBXDYTAB-RWMBFGLXSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223065721 134336197 /nfs/dbraw/zinc/33/61/97/134336197.db2.gz UBHNYMVBXDYTAB-RWMBFGLXSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H]1CCC[C@@H](CO)[N@H+]1CCCn1ccnc1 ZINC000181402863 134336343 /nfs/dbraw/zinc/33/63/43/134336343.db2.gz GGSOPCSISLJDLL-STQMWFEESA-N 2 1 237.347 1.509 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222910672 134336429 /nfs/dbraw/zinc/33/64/29/134336429.db2.gz YUMQSZFHNVZGQL-AGIUHOORSA-N 2 1 227.396 1.399 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCOCC2CC2)CC[N@H+]1C ZINC000223378376 134338740 /nfs/dbraw/zinc/33/87/40/134338740.db2.gz RUOHJBQAFPCMPA-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP CCC[NH+](C)CC1(C[N@H+](C)CCC)COC1 ZINC000182098661 134339172 /nfs/dbraw/zinc/33/91/72/134339172.db2.gz UIEFGWKODKKVOF-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC[N@@H+]1C ZINC000226604278 134368054 /nfs/dbraw/zinc/36/80/54/134368054.db2.gz IBEFBALSOPUBCD-DDHJBXDOSA-N 2 1 226.364 1.218 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC[N@H+]1C ZINC000226604278 134368055 /nfs/dbraw/zinc/36/80/55/134368055.db2.gz IBEFBALSOPUBCD-DDHJBXDOSA-N 2 1 226.364 1.218 20 0 BDADMP COC(=O)CCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227734952 134385690 /nfs/dbraw/zinc/38/56/90/134385690.db2.gz DLNNWNFMWNJNEC-NSHDSACASA-N 2 1 230.352 1.245 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)CSC)CC1 ZINC000133996597 134757448 /nfs/dbraw/zinc/75/74/48/134757448.db2.gz XNFHYCFYHHFODS-SNVBAGLBSA-N 2 1 216.394 1.812 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248409765 135006715 /nfs/dbraw/zinc/00/67/15/135006715.db2.gz CUHKNBTVCKJBTK-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248409765 135006717 /nfs/dbraw/zinc/00/67/17/135006717.db2.gz CUHKNBTVCKJBTK-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)[NH+]1CCCC1 ZINC000248830547 135022551 /nfs/dbraw/zinc/02/25/51/135022551.db2.gz FEBUUESBBIQZOP-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)O1 ZINC000248914384 135026635 /nfs/dbraw/zinc/02/66/35/135026635.db2.gz OAHFDQYZKPKABD-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)O1 ZINC000248914384 135026637 /nfs/dbraw/zinc/02/66/37/135026637.db2.gz OAHFDQYZKPKABD-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)O1 ZINC000248914384 135026640 /nfs/dbraw/zinc/02/66/40/135026640.db2.gz OAHFDQYZKPKABD-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1O ZINC000249131792 135034797 /nfs/dbraw/zinc/03/47/97/135034797.db2.gz LVWXDBGESYONLL-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@H]1O ZINC000249131792 135034800 /nfs/dbraw/zinc/03/48/00/135034800.db2.gz LVWXDBGESYONLL-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@H]1O ZINC000249131792 135034802 /nfs/dbraw/zinc/03/48/02/135034802.db2.gz LVWXDBGESYONLL-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249727360 135044477 /nfs/dbraw/zinc/04/44/77/135044477.db2.gz QWCPPINYDBGYDO-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000249727360 135044479 /nfs/dbraw/zinc/04/44/79/135044479.db2.gz QWCPPINYDBGYDO-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000249727360 135044481 /nfs/dbraw/zinc/04/44/81/135044481.db2.gz QWCPPINYDBGYDO-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000250246108 135050266 /nfs/dbraw/zinc/05/02/66/135050266.db2.gz WZBGEEUIMDKZOT-MROQNXINSA-N 2 1 228.380 1.587 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000251095608 135064479 /nfs/dbraw/zinc/06/44/79/135064479.db2.gz LGNNXMHVRPBVRG-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251212288 135066210 /nfs/dbraw/zinc/06/62/10/135066210.db2.gz MQCHQAIYIHSWMU-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251212288 135066212 /nfs/dbraw/zinc/06/62/12/135066212.db2.gz MQCHQAIYIHSWMU-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000251212288 135066213 /nfs/dbraw/zinc/06/62/13/135066213.db2.gz MQCHQAIYIHSWMU-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000251237502 135067102 /nfs/dbraw/zinc/06/71/02/135067102.db2.gz DUOUJZMLKMRSAV-YUTCNCBUSA-N 2 1 248.374 1.698 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000251237502 135067105 /nfs/dbraw/zinc/06/71/05/135067105.db2.gz DUOUJZMLKMRSAV-YUTCNCBUSA-N 2 1 248.374 1.698 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251424406 135069799 /nfs/dbraw/zinc/06/97/99/135069799.db2.gz QNPCSHOMKHONFJ-MJBXVCDLSA-N 2 1 240.391 1.610 20 0 BDADMP [NH3+]CCOCC[N@@H+](Cc1cccs1)C1CC1 ZINC000086435508 135084127 /nfs/dbraw/zinc/08/41/27/135084127.db2.gz HJUJFSSZHWWIMW-UHFFFAOYSA-N 2 1 240.372 1.688 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000086435901 135084209 /nfs/dbraw/zinc/08/42/09/135084209.db2.gz CYAZNSCOQXMAGU-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000252186828 135086827 /nfs/dbraw/zinc/08/68/27/135086827.db2.gz UKGFSANMQHMMEW-RQJABVFESA-N 2 1 238.375 1.770 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673429 135095419 /nfs/dbraw/zinc/09/54/19/135095419.db2.gz IXHHFCDZORYJGS-STQMWFEESA-N 2 1 234.347 1.435 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673429 135095421 /nfs/dbraw/zinc/09/54/21/135095421.db2.gz IXHHFCDZORYJGS-STQMWFEESA-N 2 1 234.347 1.435 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000252709239 135099051 /nfs/dbraw/zinc/09/90/51/135099051.db2.gz CJQGZCOSNSAITF-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000252709239 135099052 /nfs/dbraw/zinc/09/90/52/135099052.db2.gz CJQGZCOSNSAITF-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252711880 135100215 /nfs/dbraw/zinc/10/02/15/135100215.db2.gz KVTXGKIZSLWRPY-RNJOBUHISA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000252712384 135100716 /nfs/dbraw/zinc/10/07/16/135100716.db2.gz MHTDNIYVGZITHB-SYQHCUMBSA-N 3 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252712384 135100720 /nfs/dbraw/zinc/10/07/20/135100720.db2.gz MHTDNIYVGZITHB-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000252714761 135101620 /nfs/dbraw/zinc/10/16/20/135101620.db2.gz SWFUTRXKMQBRIV-VWYCJHECSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000252714761 135101622 /nfs/dbraw/zinc/10/16/22/135101622.db2.gz SWFUTRXKMQBRIV-VWYCJHECSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000252731461 135105109 /nfs/dbraw/zinc/10/51/09/135105109.db2.gz PZWNGVYVTPOUAK-AGIUHOORSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000252731461 135105110 /nfs/dbraw/zinc/10/51/10/135105110.db2.gz PZWNGVYVTPOUAK-AGIUHOORSA-N 2 1 240.391 1.874 20 0 BDADMP CCSCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252911228 135116376 /nfs/dbraw/zinc/11/63/76/135116376.db2.gz GMZFJCFKEPLYBU-RYUDHWBXSA-N 2 1 228.405 1.956 20 0 BDADMP CSc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000258776326 135134260 /nfs/dbraw/zinc/13/42/60/135134260.db2.gz BFJBDAWGCCUVHJ-LLVKDONJSA-N 2 1 240.372 1.160 20 0 BDADMP CSc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000258776326 135134262 /nfs/dbraw/zinc/13/42/62/135134262.db2.gz BFJBDAWGCCUVHJ-LLVKDONJSA-N 2 1 240.372 1.160 20 0 BDADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000257684173 135139225 /nfs/dbraw/zinc/13/92/25/135139225.db2.gz LUJQPPDDNUYKSI-UHFFFAOYSA-N 2 1 235.331 1.559 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257710586 135140443 /nfs/dbraw/zinc/14/04/43/135140443.db2.gz STODAEORPFHLOJ-UHFFFAOYSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257710586 135140444 /nfs/dbraw/zinc/14/04/44/135140444.db2.gz STODAEORPFHLOJ-UHFFFAOYSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257710586 135140446 /nfs/dbraw/zinc/14/04/46/135140446.db2.gz STODAEORPFHLOJ-UHFFFAOYSA-N 2 1 234.347 1.294 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261530042 135156931 /nfs/dbraw/zinc/15/69/31/135156931.db2.gz XKHRNJLSPWVVKG-GHMZBOCLSA-N 2 1 214.378 1.410 20 0 BDADMP Cc1cc(N2CC[C@H]([NH3+])[C@@H]2C)nc(C)[nH+]1 ZINC000261530592 135157850 /nfs/dbraw/zinc/15/78/50/135157850.db2.gz CSYRVRRZSCLXJD-WPRPVWTQSA-N 2 1 206.293 1.019 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261532847 135163061 /nfs/dbraw/zinc/16/30/61/135163061.db2.gz KKEHBGARZMRBAL-VXGBXAGGSA-N 2 1 228.405 1.671 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCSC3)C[C@H]12 ZINC000261532770 135163164 /nfs/dbraw/zinc/16/31/64/135163164.db2.gz KDBJUIBLSMESAE-WHOHXGKFSA-N 2 1 226.389 1.409 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000261533241 135163862 /nfs/dbraw/zinc/16/38/62/135163862.db2.gz KMWGHAQLRWSNJM-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C[C@H]2C)CC[NH2+]1 ZINC000261533049 135164259 /nfs/dbraw/zinc/16/42/59/135164259.db2.gz GIYIOZUMWLIMNE-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261533957 135165607 /nfs/dbraw/zinc/16/56/07/135165607.db2.gz MBAKWNSZSLGKAI-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP COc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000261535866 135170899 /nfs/dbraw/zinc/17/08/99/135170899.db2.gz PMLPSDMUCDYHGL-VHSXEESVSA-N 2 1 208.305 1.521 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261539343 135177648 /nfs/dbraw/zinc/17/76/48/135177648.db2.gz CEIHLMAIGROKGF-JHJVBQTASA-N 2 1 208.349 1.718 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]12 ZINC000261542692 135183122 /nfs/dbraw/zinc/18/31/22/135183122.db2.gz CHQAVAFCLSQCNI-IACUBPJLSA-N 2 1 234.318 1.995 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261543240 135183669 /nfs/dbraw/zinc/18/36/69/135183669.db2.gz RYLBSQSQVIDPHS-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544355 135185311 /nfs/dbraw/zinc/18/53/11/135185311.db2.gz DTTFGHRVXBJJHE-YVECIDJPSA-N 2 1 231.343 1.812 20 0 BDADMP C[C@@H]1CCSCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261544525 135185918 /nfs/dbraw/zinc/18/59/18/135185918.db2.gz IYRKAOYZBPUQBP-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC000084149032 135187346 /nfs/dbraw/zinc/18/73/46/135187346.db2.gz PBBHHCBWADBEMY-NSHDSACASA-N 2 1 239.388 1.801 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2sc(C)nc2C)C1 ZINC000084149032 135187347 /nfs/dbraw/zinc/18/73/47/135187347.db2.gz PBBHHCBWADBEMY-NSHDSACASA-N 2 1 239.388 1.801 20 0 BDADMP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000261549020 135187411 /nfs/dbraw/zinc/18/74/11/135187411.db2.gz KDHIASSEWPTDNB-OLZOCXBDSA-N 2 1 236.363 1.251 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000261551599 135190733 /nfs/dbraw/zinc/19/07/33/135190733.db2.gz MIHSMHJSPLWEJH-UTLUCORTSA-N 2 1 236.315 1.802 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000261551597 135190860 /nfs/dbraw/zinc/19/08/60/135190860.db2.gz MIHSMHJSPLWEJH-BBBLOLIVSA-N 2 1 236.315 1.802 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000084215697 135191862 /nfs/dbraw/zinc/19/18/62/135191862.db2.gz MWZIATKQBGNOIL-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nccs1 ZINC000084220512 135193173 /nfs/dbraw/zinc/19/31/73/135193173.db2.gz JAOWQVHYKVZTSP-DTWKUNHWSA-N 2 1 211.334 1.360 20 0 BDADMP CCc1nc(N2CCC[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261554322 135193607 /nfs/dbraw/zinc/19/36/07/135193607.db2.gz OUOSCYYKPVPWCM-NSHDSACASA-N 2 1 234.347 1.523 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261556482 135196784 /nfs/dbraw/zinc/19/67/84/135196784.db2.gz QUKWIFZDKRRAPZ-CYZMBNFOSA-N 2 1 234.347 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261556482 135196785 /nfs/dbraw/zinc/19/67/85/135196785.db2.gz QUKWIFZDKRRAPZ-CYZMBNFOSA-N 2 1 234.347 1.072 20 0 BDADMP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(C)[nH+]1 ZINC000261557142 135198207 /nfs/dbraw/zinc/19/82/07/135198207.db2.gz RGYIDGVIBQJPDK-NWDGAFQWSA-N 2 1 232.331 1.139 20 0 BDADMP COc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000261558452 135199653 /nfs/dbraw/zinc/19/96/53/135199653.db2.gz SLBINMGNPDSCTH-AAEUAGOBSA-N 2 1 234.343 1.783 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261561528 135202458 /nfs/dbraw/zinc/20/24/58/135202458.db2.gz ARQUXYVKWVMLAX-NWDGAFQWSA-N 2 1 217.316 1.436 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261561469 135202890 /nfs/dbraw/zinc/20/28/90/135202890.db2.gz AOHHZXICZCXRSS-MFKMUULPSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261561469 135202891 /nfs/dbraw/zinc/20/28/91/135202891.db2.gz AOHHZXICZCXRSS-MFKMUULPSA-N 2 1 219.332 1.559 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261562184 135203795 /nfs/dbraw/zinc/20/37/95/135203795.db2.gz WATMDOKBIRQXSW-JSGCOSHPSA-N 2 1 232.327 1.576 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261562184 135203796 /nfs/dbraw/zinc/20/37/96/135203796.db2.gz WATMDOKBIRQXSW-JSGCOSHPSA-N 2 1 232.327 1.576 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000261564089 135206056 /nfs/dbraw/zinc/20/60/56/135206056.db2.gz CFXXRBKBBFGQAH-LLVKDONJSA-N 2 1 214.353 1.330 20 0 BDADMP CCCn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261564763 135206918 /nfs/dbraw/zinc/20/69/18/135206918.db2.gz HMELBCAFWBOORT-MJBXVCDLSA-N 2 1 248.374 1.462 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261568150 135210312 /nfs/dbraw/zinc/21/03/12/135210312.db2.gz FJQNHRQEUDVLNS-ONGXEEELSA-N 2 1 237.734 1.923 20 0 BDADMP Cc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000163947968 135211538 /nfs/dbraw/zinc/21/15/38/135211538.db2.gz KZVZNVXTRVDULK-BXKDBHETSA-N 2 1 234.347 1.515 20 0 BDADMP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000261570680 135212695 /nfs/dbraw/zinc/21/26/95/135212695.db2.gz HBHLUTOPLQUOLQ-VXGBXAGGSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000261570680 135212697 /nfs/dbraw/zinc/21/26/97/135212697.db2.gz HBHLUTOPLQUOLQ-VXGBXAGGSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261570980 135213057 /nfs/dbraw/zinc/21/30/57/135213057.db2.gz HGIIEYRPNYLEAJ-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261570982 135213482 /nfs/dbraw/zinc/21/34/82/135213482.db2.gz HGIIEYRPNYLEAJ-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261571855 135213756 /nfs/dbraw/zinc/21/37/56/135213756.db2.gz LKCIXZJVVKQHBB-HIFRSBDPSA-N 2 1 246.354 1.879 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261571855 135213758 /nfs/dbraw/zinc/21/37/58/135213758.db2.gz LKCIXZJVVKQHBB-HIFRSBDPSA-N 2 1 246.354 1.879 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CC(C)(C)[NH3+] ZINC000261574198 135215913 /nfs/dbraw/zinc/21/59/13/135215913.db2.gz JEUNDDSGUJZYFC-JTQLQIEISA-N 2 1 222.336 1.124 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261579702 135220273 /nfs/dbraw/zinc/22/02/73/135220273.db2.gz PQOGSUVXDXWWLJ-YUTCNCBUSA-N 2 1 248.374 1.206 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000261580712 135221846 /nfs/dbraw/zinc/22/18/46/135221846.db2.gz NCOPPTUZYVTCDG-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP Cn1cc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cn1 ZINC000261583404 135223989 /nfs/dbraw/zinc/22/39/89/135223989.db2.gz RRUWPGLOOKLMPY-UONOGXRCSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1cc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cn1 ZINC000261583404 135223990 /nfs/dbraw/zinc/22/39/90/135223990.db2.gz RRUWPGLOOKLMPY-UONOGXRCSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1cc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cn1 ZINC000261584909 135226181 /nfs/dbraw/zinc/22/61/81/135226181.db2.gz SQDZECGIXWECNK-OCCSQVGLSA-N 2 1 248.374 1.557 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@@H]1CCCCO1 ZINC000261589980 135230729 /nfs/dbraw/zinc/23/07/29/135230729.db2.gz UGRNAPKRGBBUTB-STQMWFEESA-N 2 1 228.380 1.909 20 0 BDADMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261734704 135248863 /nfs/dbraw/zinc/24/88/63/135248863.db2.gz HPNGHVSAAIGICJ-KWCYVHTRSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261734704 135248864 /nfs/dbraw/zinc/24/88/64/135248864.db2.gz HPNGHVSAAIGICJ-KWCYVHTRSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]12 ZINC000261751483 135249731 /nfs/dbraw/zinc/24/97/31/135249731.db2.gz CFEMUPDTNBXWJN-QNWHQSFQSA-N 2 1 224.348 1.082 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000261768572 135251248 /nfs/dbraw/zinc/25/12/48/135251248.db2.gz DNYLDQWVODPACA-LLVKDONJSA-N 2 1 222.336 1.245 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000261768572 135251251 /nfs/dbraw/zinc/25/12/51/135251251.db2.gz DNYLDQWVODPACA-LLVKDONJSA-N 2 1 222.336 1.245 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261768586 135251268 /nfs/dbraw/zinc/25/12/68/135251268.db2.gz DOATVVOPULFCJT-YRGRVCCFSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261768586 135251270 /nfs/dbraw/zinc/25/12/70/135251270.db2.gz DOATVVOPULFCJT-YRGRVCCFSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261768581 135251771 /nfs/dbraw/zinc/25/17/71/135251771.db2.gz DOATVVOPULFCJT-DYEKYZERSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261768581 135251772 /nfs/dbraw/zinc/25/17/72/135251772.db2.gz DOATVVOPULFCJT-DYEKYZERSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)[C@@H](C)O1 ZINC000261823106 135255343 /nfs/dbraw/zinc/25/53/43/135255343.db2.gz INHXESLTEFFMLL-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)[C@@H](C)O1 ZINC000261823106 135255344 /nfs/dbraw/zinc/25/53/44/135255344.db2.gz INHXESLTEFFMLL-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000261833776 135255971 /nfs/dbraw/zinc/25/59/71/135255971.db2.gz JIIBOUWMLFHXBU-MGPQQGTHSA-N 2 1 238.375 1.344 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261930155 135263403 /nfs/dbraw/zinc/26/34/03/135263403.db2.gz CRLZKNNIDQRWKA-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000261997215 135270497 /nfs/dbraw/zinc/27/04/97/135270497.db2.gz KYECFSVHPLATGM-OLZOCXBDSA-N 2 1 224.348 1.098 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262006823 135272524 /nfs/dbraw/zinc/27/25/24/135272524.db2.gz LWVNYZFQGFZIEJ-KBPBESRZSA-N 2 1 239.407 1.260 20 0 BDADMP C[N@H+](CCc1ccccc1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262035874 135274627 /nfs/dbraw/zinc/27/46/27/135274627.db2.gz OOTTZEBPPXVIBN-HNNXBMFYSA-N 2 1 248.370 1.866 20 0 BDADMP C[N@@H+](CCc1ccccc1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262035874 135274629 /nfs/dbraw/zinc/27/46/29/135274629.db2.gz OOTTZEBPPXVIBN-HNNXBMFYSA-N 2 1 248.370 1.866 20 0 BDADMP Cn1cc([C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)cn1 ZINC000262103500 135278221 /nfs/dbraw/zinc/27/82/21/135278221.db2.gz VTZBFOCCVLKTMC-JSGCOSHPSA-N 2 1 248.374 1.209 20 0 BDADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262122159 135280694 /nfs/dbraw/zinc/28/06/94/135280694.db2.gz XIYWXXBQNHEAML-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262122159 135280695 /nfs/dbraw/zinc/28/06/95/135280695.db2.gz XIYWXXBQNHEAML-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP CC1(C)CCC(C[N@H+](CC[NH3+])CCO)CC1 ZINC000262174683 135284042 /nfs/dbraw/zinc/28/40/42/135284042.db2.gz VQGGKCNHTUTEHS-UHFFFAOYSA-N 2 1 228.380 1.456 20 0 BDADMP CC1(C)CCC(C[N@@H+](CC[NH3+])CCO)CC1 ZINC000262174683 135284044 /nfs/dbraw/zinc/28/40/44/135284044.db2.gz VQGGKCNHTUTEHS-UHFFFAOYSA-N 2 1 228.380 1.456 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)CC[C@H]1CCC[NH+]1C ZINC000342607917 135302580 /nfs/dbraw/zinc/30/25/80/135302580.db2.gz RWAMHLBMILFIKC-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCO1)CC[C@H]1CCC[N@@H+]1C ZINC000342607917 135302582 /nfs/dbraw/zinc/30/25/82/135302582.db2.gz RWAMHLBMILFIKC-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCO1)CC[C@H]1CCC[N@H+]1C ZINC000342607917 135302583 /nfs/dbraw/zinc/30/25/83/135302583.db2.gz RWAMHLBMILFIKC-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[NH3+])C1 ZINC000263061895 135330148 /nfs/dbraw/zinc/33/01/48/135330148.db2.gz VMHNMYDUWDQRBH-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000334398452 135387769 /nfs/dbraw/zinc/38/77/69/135387769.db2.gz LXZQCPVHBGGGOY-ZFWWWQNUSA-N 2 1 245.370 1.916 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000084385166 135470473 /nfs/dbraw/zinc/47/04/73/135470473.db2.gz QOTPVCHSKADSDY-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP OCCCC[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703886 135494768 /nfs/dbraw/zinc/49/47/68/135494768.db2.gz ZLHBZVQJVCVOOF-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000230314928 135529018 /nfs/dbraw/zinc/52/90/18/135529018.db2.gz OTUINOLSYIESRG-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000193813354 135605586 /nfs/dbraw/zinc/60/55/86/135605586.db2.gz KQBUMAWGMREGSF-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccn1 ZINC000335011433 135865032 /nfs/dbraw/zinc/86/50/32/135865032.db2.gz MBZJQDXSFPNGRN-RYUDHWBXSA-N 2 1 205.305 1.359 20 0 BDADMP Cc1ccc(CC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000335297700 136007084 /nfs/dbraw/zinc/00/70/84/136007084.db2.gz LDOSCLLZPFQJQY-JSGCOSHPSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ccc(CC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000335297700 136007085 /nfs/dbraw/zinc/00/70/85/136007085.db2.gz LDOSCLLZPFQJQY-JSGCOSHPSA-N 2 1 218.344 1.959 20 0 BDADMP Oc1cccnc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347882896 136014916 /nfs/dbraw/zinc/01/49/16/136014916.db2.gz VIXKYRVEYUCOIZ-NWDGAFQWSA-N 2 1 247.342 1.504 20 0 BDADMP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000348102003 136036765 /nfs/dbraw/zinc/03/67/65/136036765.db2.gz KFTMPLWJZOQZMY-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000348141630 136039161 /nfs/dbraw/zinc/03/91/61/136039161.db2.gz ZDFRSTGVUCLFPL-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]2C(F)F)CC1 ZINC000348145064 136039259 /nfs/dbraw/zinc/03/92/59/136039259.db2.gz CCUWWCMNLHUCGN-ZJUUUORDSA-N 2 1 218.291 1.714 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H]1C(F)F ZINC000348156666 136040792 /nfs/dbraw/zinc/04/07/92/136040792.db2.gz ITHHUOWOUMUFOI-APLZJWDSSA-N 2 1 232.318 1.958 20 0 BDADMP FC(F)[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348215889 136046189 /nfs/dbraw/zinc/04/61/89/136046189.db2.gz BUTLZFDGGLYDDM-DBIOUOCHSA-N 2 1 230.302 1.856 20 0 BDADMP Cc1cc(CN2CC[C@@H](c3nccn3C)C2)no1 ZINC000335344381 136065569 /nfs/dbraw/zinc/06/55/69/136065569.db2.gz GBIXYJGCYBNXNQ-LLVKDONJSA-N 2 1 246.314 1.706 20 0 BDADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000348358694 136072456 /nfs/dbraw/zinc/07/24/56/136072456.db2.gz PMQNYFSOHSQIGJ-QWHCGFSZSA-N 2 1 237.347 1.739 20 0 BDADMP C[C@@H](Nc1cc[nH+]c2ccsc21)[C@H](C)[NH3+] ZINC000335595574 136104504 /nfs/dbraw/zinc/10/45/04/136104504.db2.gz OEARDAKSAINKKT-JGVFFNPUSA-N 2 1 221.329 1.866 20 0 BDADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC(C)(C)[NH3+] ZINC000335597951 136105457 /nfs/dbraw/zinc/10/54/57/136105457.db2.gz JEVXSIHFBXBSNE-SNVBAGLBSA-N 2 1 222.336 1.124 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH3+])[C@@H](C)C2 ZINC000335564592 136107164 /nfs/dbraw/zinc/10/71/64/136107164.db2.gz LAYZAJOQQCSVHR-GWCFXTLKSA-N 2 1 204.317 1.777 20 0 BDADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC[NH3+] ZINC000335565788 136107592 /nfs/dbraw/zinc/10/75/92/136107592.db2.gz SLYGWHIGIYEHFZ-NOZJJQNGSA-N 2 1 222.307 1.997 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335566774 136107755 /nfs/dbraw/zinc/10/77/55/136107755.db2.gz WCVHDCDOYHHVTC-STQMWFEESA-N 3 1 239.407 1.306 20 0 BDADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC[NH3+] ZINC000335566381 136107951 /nfs/dbraw/zinc/10/79/51/136107951.db2.gz SLYGWHIGIYEHFZ-ZANVPECISA-N 2 1 222.307 1.997 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCOC3)C2)C1 ZINC000335570383 136109077 /nfs/dbraw/zinc/10/90/77/136109077.db2.gz NBDDVQNAZHIKSU-CHWSQXEVSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000335570383 136109078 /nfs/dbraw/zinc/10/90/78/136109078.db2.gz NBDDVQNAZHIKSU-CHWSQXEVSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC000335570383 136109079 /nfs/dbraw/zinc/10/90/79/136109079.db2.gz NBDDVQNAZHIKSU-CHWSQXEVSA-N 2 1 224.348 1.051 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571677 136109826 /nfs/dbraw/zinc/10/98/26/136109826.db2.gz ZNIKERQHRUTZGJ-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335571677 136109827 /nfs/dbraw/zinc/10/98/27/136109827.db2.gz ZNIKERQHRUTZGJ-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCNCC2(C)C)CC[NH2+]1 ZINC000647500457 397759041 /nfs/dbraw/zinc/75/90/41/397759041.db2.gz REZZGEPYLHOBCZ-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@@H](CN2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000647500457 397759044 /nfs/dbraw/zinc/75/90/44/397759044.db2.gz REZZGEPYLHOBCZ-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@]1(C)CCC[N@H+](CC[NH2+]C(C)C)CC1 ZINC000373590314 397777501 /nfs/dbraw/zinc/77/75/01/397777501.db2.gz APCHKUMETDBOHD-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP CO[C@]1(C)CCC[N@@H+](CC[NH2+]C(C)C)CC1 ZINC000373590314 397777505 /nfs/dbraw/zinc/77/75/05/397777505.db2.gz APCHKUMETDBOHD-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC000082594410 397965527 /nfs/dbraw/zinc/96/55/27/397965527.db2.gz FYGDKENNMBXWDC-LBPRGKRZSA-N 2 1 222.336 1.086 20 0 BDADMP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000382393278 397945923 /nfs/dbraw/zinc/94/59/23/397945923.db2.gz MZPBAADHKMRPHE-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CCc1nc(N[C@H]2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000382415203 397947946 /nfs/dbraw/zinc/94/79/46/397947946.db2.gz GXCOMBSUBOSBKG-QWRGUYRKSA-N 2 1 234.347 1.451 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1cn[nH]c1 ZINC000390533094 397895481 /nfs/dbraw/zinc/89/54/81/397895481.db2.gz NCYQZNGMKYAYLV-JQWIXIFHSA-N 2 1 222.336 1.154 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1cn[nH]c1 ZINC000390533094 397895483 /nfs/dbraw/zinc/89/54/83/397895483.db2.gz NCYQZNGMKYAYLV-JQWIXIFHSA-N 2 1 222.336 1.154 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1cccc(O)c1 ZINC000019959167 397962725 /nfs/dbraw/zinc/96/27/25/397962725.db2.gz IOFKAANBTYLHGH-UHFFFAOYSA-N 2 1 208.305 1.434 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000649571763 397963068 /nfs/dbraw/zinc/96/30/68/397963068.db2.gz WBGBXZNRAKJZEC-MELADBBJSA-N 2 1 239.407 1.495 20 0 BDADMP COCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164643796 397999924 /nfs/dbraw/zinc/99/99/24/397999924.db2.gz JRZHALIPDXOQHE-RYUDHWBXSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@@](C)(F)C2)CC[NH2+]1 ZINC000414764839 398027898 /nfs/dbraw/zinc/02/78/98/398027898.db2.gz BEKXLAOCUFVXLT-FRRDWIJNSA-N 2 1 243.370 1.008 20 0 BDADMP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]1 ZINC000414764839 398027901 /nfs/dbraw/zinc/02/79/01/398027901.db2.gz BEKXLAOCUFVXLT-FRRDWIJNSA-N 2 1 243.370 1.008 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@](C)(F)C2)CC[NH2+]1 ZINC000414764841 398027972 /nfs/dbraw/zinc/02/79/72/398027972.db2.gz BEKXLAOCUFVXLT-UPJWGTAASA-N 2 1 243.370 1.008 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]1 ZINC000414764841 398027975 /nfs/dbraw/zinc/02/79/75/398027975.db2.gz BEKXLAOCUFVXLT-UPJWGTAASA-N 2 1 243.370 1.008 20 0 BDADMP C[C@@H]1[C@H](O)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000650190194 397972398 /nfs/dbraw/zinc/97/23/98/397972398.db2.gz BKOCIICJYQUABJ-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000382784439 397981372 /nfs/dbraw/zinc/98/13/72/397981372.db2.gz WNFVDKIUCDCILP-WDEREUQCSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000382784439 397981375 /nfs/dbraw/zinc/98/13/75/397981375.db2.gz WNFVDKIUCDCILP-WDEREUQCSA-N 2 1 238.331 1.595 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H](C)CC[NH3+])n1 ZINC000414890692 398083317 /nfs/dbraw/zinc/08/33/17/398083317.db2.gz UWFXKGPMSRWYQE-JTQLQIEISA-N 2 1 223.320 1.307 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccns1 ZINC000404437390 398085522 /nfs/dbraw/zinc/08/55/22/398085522.db2.gz DMEZSMANBGIIIR-BDAKNGLRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccns1 ZINC000404437390 398085524 /nfs/dbraw/zinc/08/55/24/398085524.db2.gz DMEZSMANBGIIIR-BDAKNGLRSA-N 2 1 211.334 1.312 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090725155 398111757 /nfs/dbraw/zinc/11/17/57/398111757.db2.gz QIACHTAZQDGYER-AXFHLTTASA-N 2 1 216.394 1.668 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000414979625 398134708 /nfs/dbraw/zinc/13/47/08/398134708.db2.gz UUZGXIFDTKDPAD-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360928391 167030654 /nfs/dbraw/zinc/03/06/54/167030654.db2.gz UBACTOHFIHUTLQ-AVGNSLFASA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360928391 167030658 /nfs/dbraw/zinc/03/06/58/167030658.db2.gz UBACTOHFIHUTLQ-AVGNSLFASA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360928391 167030661 /nfs/dbraw/zinc/03/06/61/167030661.db2.gz UBACTOHFIHUTLQ-AVGNSLFASA-N 2 1 208.349 1.811 20 0 BDADMP COCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123215851 174220603 /nfs/dbraw/zinc/22/06/03/174220603.db2.gz ICGBLZSNXFKQFZ-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCCC1 ZINC000662275638 487529662 /nfs/dbraw/zinc/52/96/62/487529662.db2.gz DEDNEORGAUPFNP-DRZSPHRISA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCCC1 ZINC000662275638 487529666 /nfs/dbraw/zinc/52/96/66/487529666.db2.gz DEDNEORGAUPFNP-DRZSPHRISA-N 2 1 226.364 1.613 20 0 BDADMP C([C@@H]1CC[N@H+]([C@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000674303617 487558051 /nfs/dbraw/zinc/55/80/51/487558051.db2.gz XNXJZJVWYMVRMH-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H](CCCCO)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000666172090 487571797 /nfs/dbraw/zinc/57/17/97/487571797.db2.gz ALVOURHWLWVCEM-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)OCCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000309393818 167213414 /nfs/dbraw/zinc/21/34/14/167213414.db2.gz GHPCRZFHKIYJNI-LBPRGKRZSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000309393818 167213418 /nfs/dbraw/zinc/21/34/18/167213418.db2.gz GHPCRZFHKIYJNI-LBPRGKRZSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082549821 167214069 /nfs/dbraw/zinc/21/40/69/167214069.db2.gz YMPFGFYTIUFGHO-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000662247828 409543287 /nfs/dbraw/zinc/54/32/87/409543287.db2.gz MJPOIAUBSCTULY-LSCVPOLPSA-N 2 1 208.349 1.750 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000662247160 409544778 /nfs/dbraw/zinc/54/47/78/409544778.db2.gz UKRGGAIIMMZYNE-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP CO[C@@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)C1CCC1 ZINC000662273156 409581221 /nfs/dbraw/zinc/58/12/21/409581221.db2.gz LWRUIYLOHWFRAI-OLZOCXBDSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)C1CCC1 ZINC000662273156 409581228 /nfs/dbraw/zinc/58/12/28/409581228.db2.gz LWRUIYLOHWFRAI-OLZOCXBDSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@H](O)C[NH3+] ZINC000662276527 409591232 /nfs/dbraw/zinc/59/12/32/409591232.db2.gz JTKPAWSVUGXLLS-UONOGXRCSA-N 2 1 248.370 1.358 20 0 BDADMP CC(C)=CCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000662281807 409603913 /nfs/dbraw/zinc/60/39/13/409603913.db2.gz PHEVDENCMADONC-GFCCVEGCSA-N 2 1 212.337 1.392 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCC[NH2+]1 ZINC000422746350 409716290 /nfs/dbraw/zinc/71/62/90/409716290.db2.gz NTFXBYIMEHTSSF-ZIQFBCGOSA-N 2 1 210.321 1.036 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000653175994 410152131 /nfs/dbraw/zinc/15/21/31/410152131.db2.gz HSEIWTLCTMDJQE-NWDGAFQWSA-N 2 1 243.395 1.064 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000308980720 410191996 /nfs/dbraw/zinc/19/19/96/410191996.db2.gz DUIQPRKADBWTPC-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000308980720 410192000 /nfs/dbraw/zinc/19/20/00/410192000.db2.gz DUIQPRKADBWTPC-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000308980720 410192006 /nfs/dbraw/zinc/19/20/06/410192006.db2.gz DUIQPRKADBWTPC-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000308980720 410192011 /nfs/dbraw/zinc/19/20/11/410192011.db2.gz DUIQPRKADBWTPC-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000650706316 410337887 /nfs/dbraw/zinc/33/78/87/410337887.db2.gz IPZKWXJLCSRWPA-MGPQQGTHSA-N 2 1 238.375 1.615 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711541 410342223 /nfs/dbraw/zinc/34/22/23/410342223.db2.gz WPTIVBZEYCZTLC-GXFFZTMASA-N 2 1 236.363 1.667 20 0 BDADMP CC(C)(C)[NH2+]CCNCCC1(C[NH3+])CC1 ZINC000650713956 410345568 /nfs/dbraw/zinc/34/55/68/410345568.db2.gz LAETZZCKBDLLIJ-UHFFFAOYSA-N 2 1 213.369 1.093 20 0 BDADMP CC(C)(C)NCC[NH2+]CCC1(C[NH3+])CC1 ZINC000650713956 410345575 /nfs/dbraw/zinc/34/55/75/410345575.db2.gz LAETZZCKBDLLIJ-UHFFFAOYSA-N 2 1 213.369 1.093 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000650720589 410359212 /nfs/dbraw/zinc/35/92/12/410359212.db2.gz VAJSUZZFQUOMRB-HNNXBMFYSA-N 3 1 249.402 1.869 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@H+]1C ZINC000650744588 410380375 /nfs/dbraw/zinc/38/03/75/410380375.db2.gz RILJYGNFQLWRGG-NEPJUHHUSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCN1C ZINC000650744588 410380379 /nfs/dbraw/zinc/38/03/79/410380379.db2.gz RILJYGNFQLWRGG-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761554 410408744 /nfs/dbraw/zinc/40/87/44/410408744.db2.gz CCTNHXWCBYNPSN-ZIAGYGMSSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274004 410743922 /nfs/dbraw/zinc/74/39/22/410743922.db2.gz HPBLYSDYNDNDPI-BBBLOLIVSA-N 2 1 232.318 1.865 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C(=O)NC)C(C)C ZINC000338287753 169774782 /nfs/dbraw/zinc/77/47/82/169774782.db2.gz VSQVYAUDJKVOHP-GFCCVEGCSA-N 2 1 243.395 1.079 20 0 BDADMP CC(C)CC(CC(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154316597 166778253 /nfs/dbraw/zinc/77/82/53/166778253.db2.gz CYOLJRHRKUDMGS-AWEZNQCLSA-N 2 1 244.423 1.959 20 0 BDADMP COCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000106878772 411130395 /nfs/dbraw/zinc/13/03/95/411130395.db2.gz NEKGNHLXZRQBHA-JTQLQIEISA-N 2 1 200.326 1.095 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000651865709 411147610 /nfs/dbraw/zinc/14/76/10/411147610.db2.gz FMLKVAFEARLMQW-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCOC1 ZINC000651866157 411147964 /nfs/dbraw/zinc/14/79/64/411147964.db2.gz XBANSWKCVSTUJV-LBPRGKRZSA-N 2 1 214.353 1.343 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000082666940 411152534 /nfs/dbraw/zinc/15/25/34/411152534.db2.gz WFWLODQYNNXXKN-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)CCO1 ZINC000300391428 411120950 /nfs/dbraw/zinc/12/09/50/411120950.db2.gz XNKPZHFVVMPKKH-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000653778939 411168310 /nfs/dbraw/zinc/16/83/10/411168310.db2.gz JPKUINXPBCWUKZ-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657939004 411174304 /nfs/dbraw/zinc/17/43/04/411174304.db2.gz SSUHPYOQQNKJLR-UHFFFAOYSA-N 2 1 244.329 1.926 20 0 BDADMP CCOCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404309025 411183135 /nfs/dbraw/zinc/18/31/35/411183135.db2.gz JMNPKXJPFYBAKE-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656193169 411199969 /nfs/dbraw/zinc/19/99/69/411199969.db2.gz WMLWPNDCSVZRLX-IWDIQUIJSA-N 3 1 211.353 1.116 20 0 BDADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000658057871 411224320 /nfs/dbraw/zinc/22/43/20/411224320.db2.gz ZWUKZFRBWAVCSY-NELGMTEASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(C[C@@H]3CC[NH2+]C3)c2C[C@H]1C ZINC000310411537 411236852 /nfs/dbraw/zinc/23/68/52/411236852.db2.gz LWUANEVCASQWAA-IJLUTSLNSA-N 2 1 233.359 1.863 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000423232918 411238111 /nfs/dbraw/zinc/23/81/11/411238111.db2.gz JBEAVXZLQJOXFZ-LBPRGKRZSA-N 2 1 226.364 1.535 20 0 BDADMP C[C@@H](CN[C@H]1CCCn2ccnc21)[N@@H+](C)C1CC1 ZINC000655714378 411267636 /nfs/dbraw/zinc/26/76/36/411267636.db2.gz BUKOOBFPKAJOOJ-AAEUAGOBSA-N 2 1 248.374 1.790 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000401659785 411273602 /nfs/dbraw/zinc/27/36/02/411273602.db2.gz WYUWDEBFKHJXMG-TZMCWYRMSA-N 2 1 248.370 1.825 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000658161072 411273835 /nfs/dbraw/zinc/27/38/35/411273835.db2.gz JAHBVNPYXCGZLS-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP COc1ccccc1CC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401659337 411273909 /nfs/dbraw/zinc/27/39/09/411273909.db2.gz WTWJKSBQFZDDGR-TZMCWYRMSA-N 2 1 248.370 1.825 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C12CCC2 ZINC000401689626 411283547 /nfs/dbraw/zinc/28/35/47/411283547.db2.gz ZVEYHJZHCBFUDG-OLZOCXBDSA-N 2 1 249.358 1.510 20 0 BDADMP CCC(CC)[N@@H+](CCOC)C[C@@H]1CC[NH2+]C1 ZINC000051889829 411284727 /nfs/dbraw/zinc/28/47/27/411284727.db2.gz GJFUWDRHWYGBOE-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000658190288 411285813 /nfs/dbraw/zinc/28/58/13/411285813.db2.gz QAKLUXQLXGHQIE-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658256822 411316730 /nfs/dbraw/zinc/31/67/30/411316730.db2.gz WCHKASFYHQFHAI-CHWSQXEVSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656784547 411361587 /nfs/dbraw/zinc/36/15/87/411361587.db2.gz BWSFUAIDBPKOCJ-GHMZBOCLSA-N 3 1 233.359 1.158 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787039 411366237 /nfs/dbraw/zinc/36/62/37/411366237.db2.gz RUKJVHNPLRCKEM-CQSZACIVSA-N 3 1 233.359 1.159 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658332965 411341460 /nfs/dbraw/zinc/34/14/60/411341460.db2.gz UWVHKUTXMZAXPV-KXNHARMFSA-N 2 1 212.337 1.236 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658332965 411341464 /nfs/dbraw/zinc/34/14/64/411341464.db2.gz UWVHKUTXMZAXPV-KXNHARMFSA-N 2 1 212.337 1.236 20 0 BDADMP C(CC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655730483 411375180 /nfs/dbraw/zinc/37/51/80/411375180.db2.gz KEJGYBYDRPDIGK-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661538 411376054 /nfs/dbraw/zinc/37/60/54/411376054.db2.gz DGSIAXBETKWCKT-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661538 411376058 /nfs/dbraw/zinc/37/60/58/411376058.db2.gz DGSIAXBETKWCKT-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661538 411376060 /nfs/dbraw/zinc/37/60/60/411376060.db2.gz DGSIAXBETKWCKT-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC1CC[NH+](CCN2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000336544614 168178655 /nfs/dbraw/zinc/17/86/55/168178655.db2.gz AVVLIFAJMNMCTK-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP COCCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404313862 411390657 /nfs/dbraw/zinc/39/06/57/411390657.db2.gz MYRDUWOPQHKILM-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP COCCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404313863 411391108 /nfs/dbraw/zinc/39/11/08/411391108.db2.gz MYRDUWOPQHKILM-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCn2cccn2)[C@@H]1CC[NH3+] ZINC000404384471 411392522 /nfs/dbraw/zinc/39/25/22/411392522.db2.gz NQLORVYCEKHICK-CHWSQXEVSA-N 2 1 236.363 1.332 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2ccno2)[C@H]1CC[NH3+] ZINC000404443678 411397427 /nfs/dbraw/zinc/39/74/27/411397427.db2.gz WDLJAINFVJLTLQ-JQWIXIFHSA-N 2 1 223.320 1.624 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccno2)[C@H]1CC[NH3+] ZINC000404443678 411397430 /nfs/dbraw/zinc/39/74/30/411397430.db2.gz WDLJAINFVJLTLQ-JQWIXIFHSA-N 2 1 223.320 1.624 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000404507345 411399210 /nfs/dbraw/zinc/39/92/10/411399210.db2.gz BOZBHRMZLISWGR-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000404800223 411408311 /nfs/dbraw/zinc/40/83/11/411408311.db2.gz YFSMGZYALPRFIC-LLVKDONJSA-N 2 1 200.326 1.225 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405210153 411420501 /nfs/dbraw/zinc/42/05/01/411420501.db2.gz KUOAJCKQSUGXCO-CHWSQXEVSA-N 2 1 244.379 1.099 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C(C)C)C(C)C ZINC000653608941 411432964 /nfs/dbraw/zinc/43/29/64/411432964.db2.gz OZRLSHGUMPYNAJ-GFCCVEGCSA-N 2 1 230.396 1.569 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000414707571 411441022 /nfs/dbraw/zinc/44/10/22/411441022.db2.gz IAVBJZRVQBKPPF-UTUOFQBUSA-N 2 1 214.353 1.063 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657337181 411472097 /nfs/dbraw/zinc/47/20/97/411472097.db2.gz LKPCZMHTFPYVSJ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)n1C ZINC000657340687 411472677 /nfs/dbraw/zinc/47/26/77/411472677.db2.gz VEBVBXLULUEOGU-LLVKDONJSA-N 2 1 245.330 1.030 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(CC3C[NH2+]C3)c2C[C@@H]1C ZINC000309490256 411499034 /nfs/dbraw/zinc/49/90/34/411499034.db2.gz IIPBXAYCQRRLMX-ZJUUUORDSA-N 2 1 219.332 1.473 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659925507 411500396 /nfs/dbraw/zinc/50/03/96/411500396.db2.gz JPDRSVHKPHLVSG-MNOVXSKESA-N 2 1 248.317 1.294 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659925507 411500397 /nfs/dbraw/zinc/50/03/97/411500397.db2.gz JPDRSVHKPHLVSG-MNOVXSKESA-N 2 1 248.317 1.294 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]2C1 ZINC000660437612 411502930 /nfs/dbraw/zinc/50/29/30/411502930.db2.gz PTTXNTNVKJPRFX-QMIVOQANSA-N 2 1 234.387 1.916 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]2C1 ZINC000660437612 411502932 /nfs/dbraw/zinc/50/29/32/411502932.db2.gz PTTXNTNVKJPRFX-QMIVOQANSA-N 2 1 234.387 1.916 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]2C1 ZINC000660437612 411502935 /nfs/dbraw/zinc/50/29/35/411502935.db2.gz PTTXNTNVKJPRFX-QMIVOQANSA-N 2 1 234.387 1.916 20 0 BDADMP COCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000655817697 411528409 /nfs/dbraw/zinc/52/84/09/411528409.db2.gz ODAFBAYGPCGBAQ-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000037484301 170007865 /nfs/dbraw/zinc/00/78/65/170007865.db2.gz QZYRZIQJDMOGIP-NSHDSACASA-N 2 1 222.336 1.150 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000037484301 170007866 /nfs/dbraw/zinc/00/78/66/170007866.db2.gz QZYRZIQJDMOGIP-NSHDSACASA-N 2 1 222.336 1.150 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2)[C@@H](C)C1 ZINC000268988979 170012608 /nfs/dbraw/zinc/01/26/08/170012608.db2.gz FSDOJYBFMIGVKM-DZGCQCFKSA-N 2 1 247.386 1.944 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)[C@H](C)C1 ZINC000353623253 170013088 /nfs/dbraw/zinc/01/30/88/170013088.db2.gz BAAKEGWFPHYEMX-DGCLKSJQSA-N 2 1 236.363 1.272 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000037644391 170015145 /nfs/dbraw/zinc/01/51/45/170015145.db2.gz VZGIDZOQYIOGFU-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000037644391 170015146 /nfs/dbraw/zinc/01/51/46/170015146.db2.gz VZGIDZOQYIOGFU-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)O)[C@H](C)C1 ZINC000336660718 170019193 /nfs/dbraw/zinc/01/91/93/170019193.db2.gz BCFLPVYLMXLEKT-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)O)[C@H](C)C1 ZINC000336660718 170019195 /nfs/dbraw/zinc/01/91/95/170019195.db2.gz BCFLPVYLMXLEKT-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)O)[C@H](C)C1 ZINC000336660718 170019196 /nfs/dbraw/zinc/01/91/96/170019196.db2.gz BCFLPVYLMXLEKT-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(C)COC2)C[C@@H]1C ZINC000336713686 170019407 /nfs/dbraw/zinc/01/94/07/170019407.db2.gz STKFNAXWAJJEOL-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C)COC2)C[C@@H]1C ZINC000336713686 170019408 /nfs/dbraw/zinc/01/94/08/170019408.db2.gz STKFNAXWAJJEOL-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C)COC2)C[C@@H]1C ZINC000336713686 170019410 /nfs/dbraw/zinc/01/94/10/170019410.db2.gz STKFNAXWAJJEOL-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000336693995 170019631 /nfs/dbraw/zinc/01/96/31/170019631.db2.gz SYKDGORQPBJIEC-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000336693995 170019632 /nfs/dbraw/zinc/01/96/32/170019632.db2.gz SYKDGORQPBJIEC-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000336693995 170019633 /nfs/dbraw/zinc/01/96/33/170019633.db2.gz SYKDGORQPBJIEC-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@H](C)C1 ZINC000119011106 170020139 /nfs/dbraw/zinc/02/01/39/170020139.db2.gz KCKGXXFGOCIMOI-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CC2)[C@@H](C)C1 ZINC000353517829 170020460 /nfs/dbraw/zinc/02/04/60/170020460.db2.gz ZELYBVZGALCHAD-YUTCNCBUSA-N 2 1 240.391 1.325 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)[C@H](C)C1 ZINC000367708931 170020980 /nfs/dbraw/zinc/02/09/80/170020980.db2.gz QTAFCPINXOAFFO-POQQGIQPSA-N 2 1 238.375 1.199 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H](C)O)[C@H](C)C1 ZINC000309461595 170021605 /nfs/dbraw/zinc/02/16/05/170021605.db2.gz OBGCCFWPMVCBEQ-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC000309958786 170036916 /nfs/dbraw/zinc/03/69/16/170036916.db2.gz JYJUHKZTQMTMRO-XQQFMLRXSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000233515840 170115324 /nfs/dbraw/zinc/11/53/24/170115324.db2.gz XORQRWSPCJCQLV-GFCCVEGCSA-N 2 1 206.333 1.989 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H](C)C1 ZINC000660310609 411567405 /nfs/dbraw/zinc/56/74/05/411567405.db2.gz OUGNRKKVIPUIBY-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000660310609 411567406 /nfs/dbraw/zinc/56/74/06/411567406.db2.gz OUGNRKKVIPUIBY-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H](C)C1 ZINC000660310609 411567407 /nfs/dbraw/zinc/56/74/07/411567407.db2.gz OUGNRKKVIPUIBY-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000227082883 170272116 /nfs/dbraw/zinc/27/21/16/170272116.db2.gz BITQYMXXLXTMAY-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000309616876 170313781 /nfs/dbraw/zinc/31/37/81/170313781.db2.gz DBUYMRZLLLYVCS-VXGBXAGGSA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250397698 170397917 /nfs/dbraw/zinc/39/79/17/170397917.db2.gz PPAFFHSLSCRNGJ-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250408631 170398603 /nfs/dbraw/zinc/39/86/03/170398603.db2.gz UQTCOSXEPWFCFC-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074198 170398942 /nfs/dbraw/zinc/39/89/42/170398942.db2.gz XNPISIBAUQCODX-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP CC1=C(C)C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660454637 411587476 /nfs/dbraw/zinc/58/74/76/411587476.db2.gz ABOQIERFERWFKK-CQSZACIVSA-N 2 1 240.391 1.730 20 0 BDADMP CC1=C(C)C[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660454637 411587477 /nfs/dbraw/zinc/58/74/77/411587477.db2.gz ABOQIERFERWFKK-CQSZACIVSA-N 2 1 240.391 1.730 20 0 BDADMP CC1=C(C)C[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000660454637 411587478 /nfs/dbraw/zinc/58/74/78/411587478.db2.gz ABOQIERFERWFKK-CQSZACIVSA-N 2 1 240.391 1.730 20 0 BDADMP CC1=C(C)C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000660454637 411587479 /nfs/dbraw/zinc/58/74/79/411587479.db2.gz ABOQIERFERWFKK-CQSZACIVSA-N 2 1 240.391 1.730 20 0 BDADMP FC1(CNC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000657751381 411593301 /nfs/dbraw/zinc/59/33/01/411593301.db2.gz HUKBVPJVTAPDHM-LBPRGKRZSA-N 2 1 242.338 1.331 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CC=CC3)C2)C1 ZINC000660616506 411607876 /nfs/dbraw/zinc/60/78/76/411607876.db2.gz MBHSSUBLZPBLLQ-CQSZACIVSA-N 2 1 220.360 1.980 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3CC=CC3)C2)C1 ZINC000660616506 411607878 /nfs/dbraw/zinc/60/78/78/411607878.db2.gz MBHSSUBLZPBLLQ-CQSZACIVSA-N 2 1 220.360 1.980 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3CC=CC3)C2)C1 ZINC000660616506 411607880 /nfs/dbraw/zinc/60/78/80/411607880.db2.gz MBHSSUBLZPBLLQ-CQSZACIVSA-N 2 1 220.360 1.980 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657842008 411610050 /nfs/dbraw/zinc/61/00/50/411610050.db2.gz SHWPLYKPDVQJAR-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCn1ccnc1)C2 ZINC000660656863 411613967 /nfs/dbraw/zinc/61/39/67/411613967.db2.gz AHBDQCLMFNJUNH-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[N@@H+]1CC[C@@]2(C1)CCCN(CCn1ccnc1)C2 ZINC000660656863 411613973 /nfs/dbraw/zinc/61/39/73/411613973.db2.gz AHBDQCLMFNJUNH-CQSZACIVSA-N 3 1 248.374 1.301 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCn1ccnc1)C2 ZINC000660656863 411613975 /nfs/dbraw/zinc/61/39/75/411613975.db2.gz AHBDQCLMFNJUNH-CQSZACIVSA-N 3 1 248.374 1.301 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000133315005 411709853 /nfs/dbraw/zinc/70/98/53/411709853.db2.gz JKWDHHMRJMFKQF-DGCLKSJQSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000133315005 411709855 /nfs/dbraw/zinc/70/98/55/411709855.db2.gz JKWDHHMRJMFKQF-DGCLKSJQSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1cc(CO)cc(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000663452154 411659184 /nfs/dbraw/zinc/65/91/84/411659184.db2.gz JGJODIRMVZBXCC-SNVBAGLBSA-N 2 1 237.347 1.634 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCOCCF)[C@@H]2CCC[C@H]21 ZINC000663459427 411662288 /nfs/dbraw/zinc/66/22/88/411662288.db2.gz CEJQNCUAHUTXNH-RWMBFGLXSA-N 2 1 244.354 1.435 20 0 BDADMP CN(c1ccccc1)[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000663501939 411685240 /nfs/dbraw/zinc/68/52/40/411685240.db2.gz ZTTDCSKHKNLAOS-CQSZACIVSA-N 2 1 247.386 1.934 20 0 BDADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000663501939 411685245 /nfs/dbraw/zinc/68/52/45/411685245.db2.gz ZTTDCSKHKNLAOS-CQSZACIVSA-N 2 1 247.386 1.934 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000663504148 411687792 /nfs/dbraw/zinc/68/77/92/411687792.db2.gz WVIGLINYJYFUHP-MCIONIFRSA-N 2 1 241.423 1.680 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000663504148 411687795 /nfs/dbraw/zinc/68/77/95/411687795.db2.gz WVIGLINYJYFUHP-MCIONIFRSA-N 3 1 241.423 1.680 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000663504148 411687799 /nfs/dbraw/zinc/68/77/99/411687799.db2.gz WVIGLINYJYFUHP-MCIONIFRSA-N 3 1 241.423 1.680 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000663513429 411694608 /nfs/dbraw/zinc/69/46/08/411694608.db2.gz KATJGKWADWNVSH-OKILXGFUSA-N 2 1 238.375 1.616 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000663514982 411697369 /nfs/dbraw/zinc/69/73/69/411697369.db2.gz XNXORRSOQZLVOE-GHMZBOCLSA-N 2 1 224.323 1.954 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]CC2(CO)CC2)c2ccccc21 ZINC000132210950 411843700 /nfs/dbraw/zinc/84/37/00/411843700.db2.gz YEWXXMMRMZWOAK-STQMWFEESA-N 2 1 232.327 1.493 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030214 411946069 /nfs/dbraw/zinc/94/60/69/411946069.db2.gz LHUKBMFCPQSQGF-STQMWFEESA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030214 411946073 /nfs/dbraw/zinc/94/60/73/411946073.db2.gz LHUKBMFCPQSQGF-STQMWFEESA-N 2 1 249.358 1.321 20 0 BDADMP COCC1([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000662217770 412028930 /nfs/dbraw/zinc/02/89/30/412028930.db2.gz SWALRKQTCXLBHR-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])C1CCC1 ZINC000662242382 412036902 /nfs/dbraw/zinc/03/69/02/412036902.db2.gz DHTVNINJVFSMND-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@@H](C[N@H+]1CCCC[C@@H]1C[NH3+])C1CCC1 ZINC000662242382 412036905 /nfs/dbraw/zinc/03/69/05/412036905.db2.gz DHTVNINJVFSMND-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000662242934 412037442 /nfs/dbraw/zinc/03/74/42/412037442.db2.gz FOIITAUPCVRVFJ-LBELIVKGSA-N 2 1 208.349 1.702 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C1CCCC1 ZINC000662244929 412042110 /nfs/dbraw/zinc/04/21/10/412042110.db2.gz PQKDDNWQQSLRBX-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662248870 412047471 /nfs/dbraw/zinc/04/74/71/412047471.db2.gz DHTKSBWJVXGOJL-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662248871 412047693 /nfs/dbraw/zinc/04/76/93/412047693.db2.gz DHTKSBWJVXGOJL-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C)CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252122 412048971 /nfs/dbraw/zinc/04/89/71/412048971.db2.gz JYQRNTLEFCSDEU-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662253132 412049002 /nfs/dbraw/zinc/04/90/02/412049002.db2.gz WLSDUSCUYILEOF-NEPJUHHUSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250767 412049066 /nfs/dbraw/zinc/04/90/66/412049066.db2.gz NOXIQUQKTABHQS-CHWSQXEVSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252093 412049577 /nfs/dbraw/zinc/04/95/77/412049577.db2.gz JTJNUTCGQPFBRA-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ncn1 ZINC000662265700 412058542 /nfs/dbraw/zinc/05/85/42/412058542.db2.gz HZJWAGGTXXVQFN-FPMFFAJLSA-N 2 1 246.358 1.344 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CCOCC[NH3+] ZINC000136250664 171037504 /nfs/dbraw/zinc/03/75/04/171037504.db2.gz NCTYCWHIQAYBIX-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CC[C@@H]1C[N@H+](CCNc2cc[nH+]c(C)c2)CCO1 ZINC000362658910 171080295 /nfs/dbraw/zinc/08/02/95/171080295.db2.gz SYFGVDDYVVANET-CQSZACIVSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@@H]1C[N@@H+](CCNc2cc[nH+]c(C)c2)CCO1 ZINC000362658910 171080298 /nfs/dbraw/zinc/08/02/98/171080298.db2.gz SYFGVDDYVVANET-CQSZACIVSA-N 2 1 249.358 1.335 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000662273488 412065935 /nfs/dbraw/zinc/06/59/35/412065935.db2.gz NMAXUPLLENRMFJ-QWHCGFSZSA-N 2 1 249.358 1.805 20 0 BDADMP CC[C@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+](C)C ZINC000338209147 171228334 /nfs/dbraw/zinc/22/83/34/171228334.db2.gz ZYFABLHBOXAQHC-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CCc1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662282531 412073747 /nfs/dbraw/zinc/07/37/47/412073747.db2.gz BLGCPQBDSRIHJV-UHFFFAOYSA-N 2 1 248.370 1.453 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662283745 412075482 /nfs/dbraw/zinc/07/54/82/412075482.db2.gz KCLLDCBIZWJTIY-OPRDCNLKSA-N 2 1 234.290 1.222 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000662283745 412075486 /nfs/dbraw/zinc/07/54/86/412075486.db2.gz KCLLDCBIZWJTIY-OPRDCNLKSA-N 2 1 234.290 1.222 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000662284642 412076116 /nfs/dbraw/zinc/07/61/16/412076116.db2.gz ZGNFZUJELRASHO-PWSUYJOCSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000662284642 412076119 /nfs/dbraw/zinc/07/61/19/412076119.db2.gz ZGNFZUJELRASHO-PWSUYJOCSA-N 2 1 249.358 1.969 20 0 BDADMP COCC1([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000662298548 412083281 /nfs/dbraw/zinc/08/32/81/412083281.db2.gz NIMILBZTBPNCKI-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662286562 412078261 /nfs/dbraw/zinc/07/82/61/412078261.db2.gz QNUBKDCZBUGLFN-STQMWFEESA-N 2 1 235.331 1.544 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662286562 412078264 /nfs/dbraw/zinc/07/82/64/412078264.db2.gz QNUBKDCZBUGLFN-STQMWFEESA-N 2 1 235.331 1.544 20 0 BDADMP OCC1([NH2+]Cc2cccc(F)c2)CC[NH2+]CC1 ZINC000662285934 412078378 /nfs/dbraw/zinc/07/83/78/412078378.db2.gz ARXCJEKZWARCPP-UHFFFAOYSA-N 2 1 238.306 1.030 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292073 412080235 /nfs/dbraw/zinc/08/02/35/412080235.db2.gz LVJDLYHWRTXIBA-YPMHNXCESA-N 3 1 225.380 1.045 20 0 BDADMP COCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293478 412080904 /nfs/dbraw/zinc/08/09/04/412080904.db2.gz LLXMSUNEWUPJRD-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397200 171395380 /nfs/dbraw/zinc/39/53/80/171395380.db2.gz CRJKPTLMDMLVAO-SRVKXCTJSA-N 2 1 243.395 1.206 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000662313404 412094871 /nfs/dbraw/zinc/09/48/71/412094871.db2.gz KYTCOFARVUOJJC-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662311034 412094933 /nfs/dbraw/zinc/09/49/33/412094933.db2.gz PUNVSDUCEZDBPC-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662316030 412095620 /nfs/dbraw/zinc/09/56/20/412095620.db2.gz VOKAIXKIUSWQCU-AVGNSLFASA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662314499 412095667 /nfs/dbraw/zinc/09/56/67/412095667.db2.gz PWCDAWHWEUMHFQ-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCc2ccccc21 ZINC000662321097 412101380 /nfs/dbraw/zinc/10/13/80/412101380.db2.gz GXOFSAOZBPDVKZ-CQSZACIVSA-N 2 1 248.370 1.624 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327966 412102186 /nfs/dbraw/zinc/10/21/86/412102186.db2.gz WVMZNPUEXGNNHV-UPJWGTAASA-N 2 1 224.348 1.226 20 0 BDADMP C[NH+](C)CCC[C@H]1C[N@H+](C2CCCC2)CCO1 ZINC000662324676 412102596 /nfs/dbraw/zinc/10/25/96/412102596.db2.gz ALTHIXXVGOSCDV-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@]1(C(F)F)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000662336488 412106804 /nfs/dbraw/zinc/10/68/04/412106804.db2.gz YBTBAVBPECEQPT-CMPLNLGQSA-N 2 1 248.317 1.342 20 0 BDADMP CC(C)n1cc(C[N@H+](C)CCC[NH3+])cn1 ZINC000220231793 412126399 /nfs/dbraw/zinc/12/63/99/412126399.db2.gz ZUGZLNZYVKJFSW-UHFFFAOYSA-N 2 1 210.325 1.245 20 0 BDADMP CC(C)n1cc(C[N@@H+](C)CCC[NH3+])cn1 ZINC000220231793 412126401 /nfs/dbraw/zinc/12/64/01/412126401.db2.gz ZUGZLNZYVKJFSW-UHFFFAOYSA-N 2 1 210.325 1.245 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]C/C=C\CO)c2ccccc21 ZINC000665238847 412181172 /nfs/dbraw/zinc/18/11/72/412181172.db2.gz FZQUDHUGIDULQQ-FGTRRKKMSA-N 2 1 218.300 1.269 20 0 BDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C/C=C\CO ZINC000665239676 412181471 /nfs/dbraw/zinc/18/14/71/412181471.db2.gz XFSATLMIAMLKSX-HPQNNBMJSA-N 2 1 234.343 1.083 20 0 BDADMP C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000665244292 412187298 /nfs/dbraw/zinc/18/72/98/412187298.db2.gz KJDGRIDZKGZFKP-BBBLOLIVSA-N 2 1 234.290 1.141 20 0 BDADMP C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000665244291 412188511 /nfs/dbraw/zinc/18/85/11/412188511.db2.gz KJDGRIDZKGZFKP-AEJSXWLSSA-N 2 1 234.290 1.141 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000665245618 412188961 /nfs/dbraw/zinc/18/89/61/412188961.db2.gz NRBDZOUJPRQUOB-BDAKNGLRSA-N 2 1 209.293 1.180 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273864 412215004 /nfs/dbraw/zinc/21/50/04/412215004.db2.gz FVMIYVUEDBIGAR-MJBXVCDLSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]([NH2+]CC1(N)CCCC1)C1CC[NH+](C)CC1 ZINC000665249102 412195052 /nfs/dbraw/zinc/19/50/52/412195052.db2.gz JWAIRDVBKMDEHA-GFCCVEGCSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH2+]CCc1ccoc1)[C@H]1CCCC[NH2+]1 ZINC000665263537 412207042 /nfs/dbraw/zinc/20/70/42/412207042.db2.gz OOBYPTVYWLDINP-WCQYABFASA-N 2 1 222.332 1.942 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000665265243 412209048 /nfs/dbraw/zinc/20/90/48/412209048.db2.gz SSCQLRWBAUCSFH-XQHKEYJVSA-N 2 1 226.364 1.674 20 0 BDADMP COC1CC(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000665230005 412167828 /nfs/dbraw/zinc/16/78/28/412167828.db2.gz HJBITECZGZVKJC-XVSSEFHLSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232455 412170907 /nfs/dbraw/zinc/17/09/07/412170907.db2.gz NCNVUKMVSIXTQA-OBJOEFQTSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)CC[N@H+]1C ZINC000665233866 412172880 /nfs/dbraw/zinc/17/28/80/412172880.db2.gz RKGYZYAHWBGLLO-SMDDNHRTSA-N 2 1 233.359 1.841 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000665294564 412233639 /nfs/dbraw/zinc/23/36/39/412233639.db2.gz RAQMDDVOBOXHGA-MNOVXSKESA-N 2 1 210.321 1.798 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133060759 412393048 /nfs/dbraw/zinc/39/30/48/412393048.db2.gz HHOFNVDEZHJKOO-OAHLLOKOSA-N 2 1 248.370 1.610 20 0 BDADMP CCc1nocc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339191059 172101961 /nfs/dbraw/zinc/10/19/61/172101961.db2.gz RIINWTKHBKJBMJ-OLZOCXBDSA-N 2 1 249.358 1.953 20 0 BDADMP CCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000050539577 172172233 /nfs/dbraw/zinc/17/22/33/172172233.db2.gz WKZVPVFBWFJVJC-LBPRGKRZSA-N 2 1 248.374 1.477 20 0 BDADMP CCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000050539577 172172234 /nfs/dbraw/zinc/17/22/34/172172234.db2.gz WKZVPVFBWFJVJC-LBPRGKRZSA-N 2 1 248.374 1.477 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](O)CC1 ZINC000334245611 173004926 /nfs/dbraw/zinc/00/49/26/173004926.db2.gz SYCVIMHDAYTLJG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](O)CC1 ZINC000334245611 173004928 /nfs/dbraw/zinc/00/49/28/173004928.db2.gz SYCVIMHDAYTLJG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](O)CC1 ZINC000334245611 173004930 /nfs/dbraw/zinc/00/49/30/173004930.db2.gz SYCVIMHDAYTLJG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC000374281661 173020969 /nfs/dbraw/zinc/02/09/69/173020969.db2.gz BBXMKCGSRKHVPC-CQSZACIVSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000336714272 173027262 /nfs/dbraw/zinc/02/72/62/173027262.db2.gz QNFIFKCQABDPAX-REWJHTLYSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000336714272 173027265 /nfs/dbraw/zinc/02/72/65/173027265.db2.gz QNFIFKCQABDPAX-REWJHTLYSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000336714272 173027267 /nfs/dbraw/zinc/02/72/67/173027267.db2.gz QNFIFKCQABDPAX-REWJHTLYSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)C(C)(C)C ZINC000309555871 173027978 /nfs/dbraw/zinc/02/79/78/173027978.db2.gz JQRFOFSOCJEKHK-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@H+]1CCC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000336669734 173034762 /nfs/dbraw/zinc/03/47/62/173034762.db2.gz AQGWELMVNUXOEU-CQSZACIVSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C)COC3)CC[C@@H]21 ZINC000336689564 173036844 /nfs/dbraw/zinc/03/68/44/173036844.db2.gz HSZZJYRTKZKMMF-OLZOCXBDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C)COC3)CC[C@@H]21 ZINC000336689564 173036846 /nfs/dbraw/zinc/03/68/46/173036846.db2.gz HSZZJYRTKZKMMF-OLZOCXBDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C)COC3)CC[C@@H]21 ZINC000336689564 173036849 /nfs/dbraw/zinc/03/68/49/173036849.db2.gz HSZZJYRTKZKMMF-OLZOCXBDSA-N 2 1 238.375 1.439 20 0 BDADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000050596279 173042845 /nfs/dbraw/zinc/04/28/45/173042845.db2.gz CFRXIPWWFRVUFX-GFCCVEGCSA-N 2 1 221.348 1.457 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCF)CC2)C1 ZINC000363479593 173043721 /nfs/dbraw/zinc/04/37/21/173043721.db2.gz TUESCLKPARXQSI-ZDUSSCGKSA-N 2 1 243.370 1.058 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC000370556864 173044381 /nfs/dbraw/zinc/04/43/81/173044381.db2.gz IPHJBOPIQYDSGB-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCF)[C@H]2C1 ZINC000367423914 173130057 /nfs/dbraw/zinc/13/00/57/173130057.db2.gz NQTOXGYUSUNXPV-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCF)[C@H]2C1 ZINC000367423914 173130060 /nfs/dbraw/zinc/13/00/60/173130060.db2.gz NQTOXGYUSUNXPV-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC000367423914 173130061 /nfs/dbraw/zinc/13/00/61/173130061.db2.gz NQTOXGYUSUNXPV-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC000367423914 173130064 /nfs/dbraw/zinc/13/00/64/173130064.db2.gz NQTOXGYUSUNXPV-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@H]3CCCO3)C2)C1 ZINC000336510792 173137313 /nfs/dbraw/zinc/13/73/13/173137313.db2.gz MMXNXYPOJLYYHC-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@H]3CCCO3)C2)C1 ZINC000336510792 173137316 /nfs/dbraw/zinc/13/73/16/173137316.db2.gz MMXNXYPOJLYYHC-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@H]3CCCO3)C2)C1 ZINC000336510792 173137319 /nfs/dbraw/zinc/13/73/19/173137319.db2.gz MMXNXYPOJLYYHC-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353515951 173152080 /nfs/dbraw/zinc/15/20/80/173152080.db2.gz IVDPYTGESSGNFD-QLFBSQMISA-N 2 1 247.386 1.988 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367616171 173153190 /nfs/dbraw/zinc/15/31/90/173153190.db2.gz LJMKKGUEXORFJX-MELADBBJSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@@H+]1CC[C@H](NCC[NH+]2CCCCCC2)C1 ZINC000061989497 173153274 /nfs/dbraw/zinc/15/32/74/173153274.db2.gz KXARMJWBYYOVPZ-ZDUSSCGKSA-N 2 1 225.380 1.156 20 0 BDADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)C1 ZINC000061989497 173153275 /nfs/dbraw/zinc/15/32/75/173153275.db2.gz KXARMJWBYYOVPZ-ZDUSSCGKSA-N 2 1 225.380 1.156 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCCO)[C@@H]2CCC[C@H]21 ZINC000353609590 173153571 /nfs/dbraw/zinc/15/35/71/173153571.db2.gz TZCHOLBZTOVEHM-MELADBBJSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCCCCC2)C1 ZINC000335596503 173164071 /nfs/dbraw/zinc/16/40/71/173164071.db2.gz RYJOOFLUIJEEQE-ZDUSSCGKSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCCCCC2)C1 ZINC000335596503 173164074 /nfs/dbraw/zinc/16/40/74/173164074.db2.gz RYJOOFLUIJEEQE-ZDUSSCGKSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOCC3CC3)C2)C1 ZINC000336684175 173168427 /nfs/dbraw/zinc/16/84/27/173168427.db2.gz FOSDVWZTUWXGJK-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCOCC3CC3)C2)C1 ZINC000336684175 173168428 /nfs/dbraw/zinc/16/84/28/173168428.db2.gz FOSDVWZTUWXGJK-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCOCC3CC3)C2)C1 ZINC000336684175 173168431 /nfs/dbraw/zinc/16/84/31/173168431.db2.gz FOSDVWZTUWXGJK-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOCC3CC3)C2)C1 ZINC000336684175 173168433 /nfs/dbraw/zinc/16/84/33/173168433.db2.gz FOSDVWZTUWXGJK-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CCCCO1 ZINC000042465495 173345703 /nfs/dbraw/zinc/34/57/03/173345703.db2.gz QQHMWURBXRRIJR-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000042465495 173345704 /nfs/dbraw/zinc/34/57/04/173345704.db2.gz QQHMWURBXRRIJR-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1cccc(F)c1 ZINC000042409436 173346123 /nfs/dbraw/zinc/34/61/23/173346123.db2.gz LYUVQYHXIPBFNI-UHFFFAOYSA-N 2 1 210.296 1.867 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(F)c1 ZINC000042409436 173346125 /nfs/dbraw/zinc/34/61/25/173346125.db2.gz LYUVQYHXIPBFNI-UHFFFAOYSA-N 2 1 210.296 1.867 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000309653307 173346778 /nfs/dbraw/zinc/34/67/78/173346778.db2.gz UNWJFKCMXRYYPY-NEPJUHHUSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000309653307 173346779 /nfs/dbraw/zinc/34/67/79/173346779.db2.gz UNWJFKCMXRYYPY-NEPJUHHUSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+]CCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000336655718 173346948 /nfs/dbraw/zinc/34/69/48/173346948.db2.gz ABWDZWDVNWRUNF-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000091996109 173370835 /nfs/dbraw/zinc/37/08/35/173370835.db2.gz IDDNRCBVDNWPGC-NSHDSACASA-N 2 1 235.331 1.137 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000223650594 173371034 /nfs/dbraw/zinc/37/10/34/173371034.db2.gz DMCQVHFLWACOOH-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000040591978 173379339 /nfs/dbraw/zinc/37/93/39/173379339.db2.gz XUZCWICJYJXJCQ-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000040591978 173379341 /nfs/dbraw/zinc/37/93/41/173379341.db2.gz XUZCWICJYJXJCQ-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP COCC1(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CCC1 ZINC000361294227 174098049 /nfs/dbraw/zinc/09/80/49/174098049.db2.gz DCEZCZGZEZRTDS-ZDUSSCGKSA-N 2 1 240.391 1.687 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000356363525 174111014 /nfs/dbraw/zinc/11/10/14/174111014.db2.gz QXVNFGQFXADHDQ-QWHCGFSZSA-N 2 1 238.375 1.772 20 0 BDADMP COCCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358497269 174178262 /nfs/dbraw/zinc/17/82/62/174178262.db2.gz AWYGJFTUAVQCNW-UHFFFAOYSA-N 2 1 240.391 1.879 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342080675 174179988 /nfs/dbraw/zinc/17/99/88/174179988.db2.gz GVIMLHGYJCDIPD-MELADBBJSA-N 2 1 240.391 1.862 20 0 BDADMP COCCCCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000336746880 174184757 /nfs/dbraw/zinc/18/47/57/174184757.db2.gz ROWWGZNDDBGMET-LBPRGKRZSA-N 2 1 214.353 1.520 20 0 BDADMP COCCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337240839 174187137 /nfs/dbraw/zinc/18/71/37/174187137.db2.gz GOIFGXUZBODMKW-UHFFFAOYSA-N 2 1 228.380 1.831 20 0 BDADMP COCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367601913 174187857 /nfs/dbraw/zinc/18/78/57/174187857.db2.gz QIUZNKJSVKIDSB-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP COCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367601913 174187858 /nfs/dbraw/zinc/18/78/58/174187858.db2.gz QIUZNKJSVKIDSB-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP COCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367601913 174187860 /nfs/dbraw/zinc/18/78/60/174187860.db2.gz QIUZNKJSVKIDSB-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP COCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128018375 174203485 /nfs/dbraw/zinc/20/34/85/174203485.db2.gz BCBUIKCBMWKLRF-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP COCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123215851 174220602 /nfs/dbraw/zinc/22/06/02/174220602.db2.gz ICGBLZSNXFKQFZ-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123215851 174220599 /nfs/dbraw/zinc/22/05/99/174220599.db2.gz ICGBLZSNXFKQFZ-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123215851 174220600 /nfs/dbraw/zinc/22/06/00/174220600.db2.gz ICGBLZSNXFKQFZ-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336774393 174263153 /nfs/dbraw/zinc/26/31/53/174263153.db2.gz WUHZGMBOHBQKHE-LBPRGKRZSA-N 2 1 226.364 1.653 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc[nH]c1 ZINC000086250853 174275563 /nfs/dbraw/zinc/27/55/63/174275563.db2.gz OJDRTMUUMXBJII-UHFFFAOYSA-N 2 1 225.336 1.073 20 0 BDADMP COCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123096042 174284046 /nfs/dbraw/zinc/28/40/46/174284046.db2.gz UFQWBGWFGHEPGW-QWRGUYRKSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123096042 174284047 /nfs/dbraw/zinc/28/40/47/174284047.db2.gz UFQWBGWFGHEPGW-QWRGUYRKSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123096042 174284048 /nfs/dbraw/zinc/28/40/48/174284048.db2.gz UFQWBGWFGHEPGW-QWRGUYRKSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123096042 174284049 /nfs/dbraw/zinc/28/40/49/174284049.db2.gz UFQWBGWFGHEPGW-QWRGUYRKSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000062911887 174287442 /nfs/dbraw/zinc/28/74/42/174287442.db2.gz TWMWNZCMBOTQLW-CYBMUJFWSA-N 2 1 228.380 1.590 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000045035627 174383436 /nfs/dbraw/zinc/38/34/36/174383436.db2.gz CMRRGVDQNCVGFU-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000107933280 175102844 /nfs/dbraw/zinc/10/28/44/175102844.db2.gz WYPLPSQCHCNULW-AAEUAGOBSA-N 2 1 234.343 1.864 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000107936004 175260538 /nfs/dbraw/zinc/26/05/38/175260538.db2.gz PQSUTFOCNBHPOK-WCQYABFASA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccccc1C[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC000038087072 175333219 /nfs/dbraw/zinc/33/32/19/175333219.db2.gz QNYMQNBTZBKKJB-ZDUSSCGKSA-N 2 1 248.370 1.922 20 0 BDADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC000038087072 175333220 /nfs/dbraw/zinc/33/32/20/175333220.db2.gz QNYMQNBTZBKKJB-ZDUSSCGKSA-N 2 1 248.370 1.922 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000564823890 322931461 /nfs/dbraw/zinc/93/14/61/322931461.db2.gz RPGSSXKYNXBGJK-WDEREUQCSA-N 2 1 224.352 1.679 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+](C)CC1 ZINC000360244657 175775964 /nfs/dbraw/zinc/77/59/64/175775964.db2.gz DVGWNLGLOVXFQN-LBPRGKRZSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527596 176030589 /nfs/dbraw/zinc/03/05/89/176030589.db2.gz ZCJWRLPSNNPVIB-NWDGAFQWSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309461376 176077028 /nfs/dbraw/zinc/07/70/28/176077028.db2.gz OWMHBMYXQLSWLO-SYQHCUMBSA-N 2 1 222.376 1.964 20 0 BDADMP C[C@@H]1CCC[C@H](CO)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336709010 176139992 /nfs/dbraw/zinc/13/99/92/176139992.db2.gz PKLZOUKFYBAADW-HZSPNIEDSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H](CO)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336709010 176139993 /nfs/dbraw/zinc/13/99/93/176139993.db2.gz PKLZOUKFYBAADW-HZSPNIEDSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H](CO)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336709010 176139996 /nfs/dbraw/zinc/13/99/96/176139996.db2.gz PKLZOUKFYBAADW-HZSPNIEDSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000042318330 176140336 /nfs/dbraw/zinc/14/03/36/176140336.db2.gz VPTBAQGAJQIDPT-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000375003017 176188749 /nfs/dbraw/zinc/18/87/49/176188749.db2.gz DWUCKKNLAWQXKB-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CCOCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000375003017 176188750 /nfs/dbraw/zinc/18/87/50/176188750.db2.gz DWUCKKNLAWQXKB-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CCOCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000375003017 176188752 /nfs/dbraw/zinc/18/87/52/176188752.db2.gz DWUCKKNLAWQXKB-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@H](C)C1 ZINC000358253999 176233455 /nfs/dbraw/zinc/23/34/55/176233455.db2.gz PIQHBSDJIYFQPZ-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@H](C)C1 ZINC000358253999 176233456 /nfs/dbraw/zinc/23/34/56/176233456.db2.gz PIQHBSDJIYFQPZ-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000334420512 176268855 /nfs/dbraw/zinc/26/88/55/176268855.db2.gz SWVWDCPROUCGNW-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000359075420 176269730 /nfs/dbraw/zinc/26/97/30/176269730.db2.gz ZIBLBICMTMDSFS-KGLIPLIRSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccn(C)c1 ZINC000290335471 176269835 /nfs/dbraw/zinc/26/98/35/176269835.db2.gz FAUASLLDWNYZJZ-OCCSQVGLSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccn(C)c1 ZINC000290335471 176269836 /nfs/dbraw/zinc/26/98/36/176269836.db2.gz FAUASLLDWNYZJZ-OCCSQVGLSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccn(C)c1 ZINC000290335471 176269837 /nfs/dbraw/zinc/26/98/37/176269837.db2.gz FAUASLLDWNYZJZ-OCCSQVGLSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccn(C)c1 ZINC000290335471 176269838 /nfs/dbraw/zinc/26/98/38/176269838.db2.gz FAUASLLDWNYZJZ-OCCSQVGLSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000309829443 176271135 /nfs/dbraw/zinc/27/11/35/176271135.db2.gz YDRFRUJSRMMOSU-RAIGVLPGSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000359724973 176271328 /nfs/dbraw/zinc/27/13/28/176271328.db2.gz YAPSHFDAYZPXIJ-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000359724973 176271330 /nfs/dbraw/zinc/27/13/30/176271330.db2.gz YAPSHFDAYZPXIJ-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000359724973 176271331 /nfs/dbraw/zinc/27/13/31/176271331.db2.gz YAPSHFDAYZPXIJ-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000358294152 176271387 /nfs/dbraw/zinc/27/13/87/176271387.db2.gz JCEBHACSALCCAP-CHWSQXEVSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000359945965 176275232 /nfs/dbraw/zinc/27/52/32/176275232.db2.gz YVWUUPNZZJMQQN-YIYPIFLZSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000359945965 176275233 /nfs/dbraw/zinc/27/52/33/176275233.db2.gz YVWUUPNZZJMQQN-YIYPIFLZSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359945965 176275234 /nfs/dbraw/zinc/27/52/34/176275234.db2.gz YVWUUPNZZJMQQN-YIYPIFLZSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359945965 176275235 /nfs/dbraw/zinc/27/52/35/176275235.db2.gz YVWUUPNZZJMQQN-YIYPIFLZSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045693918 176286067 /nfs/dbraw/zinc/28/60/67/176286067.db2.gz INSFGNFDGDEPKB-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000035787512 176296983 /nfs/dbraw/zinc/29/69/83/176296983.db2.gz UFXDKUDDDMDYPR-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000035787512 176296985 /nfs/dbraw/zinc/29/69/85/176296985.db2.gz UFXDKUDDDMDYPR-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1CSCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000069760992 176351007 /nfs/dbraw/zinc/35/10/07/176351007.db2.gz SFHYONGJBDWGIJ-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000304581793 176353251 /nfs/dbraw/zinc/35/32/51/176353251.db2.gz YLYIQEXMIBTMBT-WZRBSPASSA-N 2 1 240.416 1.812 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000308893944 176353295 /nfs/dbraw/zinc/35/32/95/176353295.db2.gz YVFMMVATOSYHAI-KXNHARMFSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000308893944 176353297 /nfs/dbraw/zinc/35/32/97/176353297.db2.gz YVFMMVATOSYHAI-KXNHARMFSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000304581790 176355930 /nfs/dbraw/zinc/35/59/30/176355930.db2.gz YLYIQEXMIBTMBT-NTZNESFSSA-N 2 1 240.416 1.812 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1 ZINC000122361537 176367739 /nfs/dbraw/zinc/36/77/39/176367739.db2.gz FCSGAFAURXGZER-PWSUYJOCSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055660 176368415 /nfs/dbraw/zinc/36/84/15/176368415.db2.gz JMGJTQBPYGUTDS-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000352608457 176369046 /nfs/dbraw/zinc/36/90/46/176369046.db2.gz LGRVGXLCCYXJOZ-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC2CC2)CCN1C ZINC000123136937 176370753 /nfs/dbraw/zinc/37/07/53/176370753.db2.gz PMWBVINTCFOLMO-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC2CC2)CC[N@@H+]1C ZINC000123136937 176370754 /nfs/dbraw/zinc/37/07/54/176370754.db2.gz PMWBVINTCFOLMO-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC2CC2)CC[N@H+]1C ZINC000123136937 176370755 /nfs/dbraw/zinc/37/07/55/176370755.db2.gz PMWBVINTCFOLMO-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCNc2ccccn2)CC[N@H+]1C ZINC000268996053 176375827 /nfs/dbraw/zinc/37/58/27/176375827.db2.gz NRGJTDSLZHJIJB-OLZOCXBDSA-N 2 1 248.374 1.566 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2cnccn2)CC[N@H+]1C ZINC000341883021 176376152 /nfs/dbraw/zinc/37/61/52/176376152.db2.gz TZKJPRVMKUMOMR-NEPJUHHUSA-N 2 1 234.347 1.091 20 0 BDADMP C[C@H]1CCC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000042318333 177134089 /nfs/dbraw/zinc/13/40/89/177134089.db2.gz VPTBAQGAJQIDPT-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1CC[N@@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336363473 177157299 /nfs/dbraw/zinc/15/72/99/177157299.db2.gz DULVOPPJNQKNIZ-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCF ZINC000336685829 177234252 /nfs/dbraw/zinc/23/42/52/177234252.db2.gz LDERBPSCLZKDIB-WDEREUQCSA-N 2 1 202.317 1.666 20 0 BDADMP C[C@H]1COCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336453310 177287890 /nfs/dbraw/zinc/28/78/90/177287890.db2.gz JMMOBBXRSYFFOS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1COCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336453310 177287891 /nfs/dbraw/zinc/28/78/91/177287891.db2.gz JMMOBBXRSYFFOS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1COCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336453310 177287892 /nfs/dbraw/zinc/28/78/92/177287892.db2.gz JMMOBBXRSYFFOS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000306367365 177306147 /nfs/dbraw/zinc/30/61/47/177306147.db2.gz BRTVYMIGMKUFFW-ONGXEEELSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1 ZINC000122305303 177324404 /nfs/dbraw/zinc/32/44/04/177324404.db2.gz FEYHLHVXAXJXNO-JQWIXIFHSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cccnc1 ZINC000049712944 177327859 /nfs/dbraw/zinc/32/78/59/177327859.db2.gz UJLRIBFFXZPVDK-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H]1C[C@@H](NCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000309960586 177331119 /nfs/dbraw/zinc/33/11/19/177331119.db2.gz YEJDTUDZWWPDOO-DZGCQCFKSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC[NH3+])CN1Cc1ccccc1 ZINC000309960586 177331121 /nfs/dbraw/zinc/33/11/21/177331121.db2.gz YEJDTUDZWWPDOO-DZGCQCFKSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2ccccn2)CC[N@H+]1C ZINC000129522619 177332504 /nfs/dbraw/zinc/33/25/04/177332504.db2.gz PMHDAMZRJLRMEV-JSGCOSHPSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cnccn1 ZINC000341901522 177332840 /nfs/dbraw/zinc/33/28/40/177332840.db2.gz YWNSGEWQDQZGNX-MBNYWOFBSA-N 2 1 248.374 1.337 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000223563195 177361191 /nfs/dbraw/zinc/36/11/91/177361191.db2.gz JJMNVTOQGJEKTI-GXSJLCMTSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(O)cc(F)c1 ZINC000223563195 177361192 /nfs/dbraw/zinc/36/11/92/177361192.db2.gz JJMNVTOQGJEKTI-GXSJLCMTSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccs1 ZINC000126711886 177361673 /nfs/dbraw/zinc/36/16/73/177361673.db2.gz NDKVMJFEXHNQOS-VHSXEESVSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCCO)CC[N@@H+]1C ZINC000304277526 177364304 /nfs/dbraw/zinc/36/43/04/177364304.db2.gz GHWPWPJTANDPRM-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCCO)CC[N@H+]1C ZINC000304277526 177364306 /nfs/dbraw/zinc/36/43/06/177364306.db2.gz GHWPWPJTANDPRM-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCCCO)CC[NH+]1C ZINC000304277526 177364308 /nfs/dbraw/zinc/36/43/08/177364308.db2.gz GHWPWPJTANDPRM-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCCCO)CC[NH+]1C ZINC000304277526 177364310 /nfs/dbraw/zinc/36/43/10/177364310.db2.gz GHWPWPJTANDPRM-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccn2C)CC[N@@H+]1C ZINC000090721113 177370890 /nfs/dbraw/zinc/37/08/90/177370890.db2.gz KIEVUBIJLPRYSG-NWDGAFQWSA-N 2 1 221.348 1.597 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccn2C)CC[N@H+]1C ZINC000090721113 177370892 /nfs/dbraw/zinc/37/08/92/177370892.db2.gz KIEVUBIJLPRYSG-NWDGAFQWSA-N 2 1 221.348 1.597 20 0 BDADMP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119957208 177402743 /nfs/dbraw/zinc/40/27/43/177402743.db2.gz CYVUCRULXCJEKB-MFKMUULPSA-N 2 1 224.348 1.380 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000328276573 487642202 /nfs/dbraw/zinc/64/22/02/487642202.db2.gz QWUHCPJUENBEAU-MJBXVCDLSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000328276573 487642206 /nfs/dbraw/zinc/64/22/06/487642206.db2.gz QWUHCPJUENBEAU-MJBXVCDLSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000328276573 487642210 /nfs/dbraw/zinc/64/22/10/487642210.db2.gz QWUHCPJUENBEAU-MJBXVCDLSA-N 2 1 239.407 1.543 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400335730 225014540 /nfs/dbraw/zinc/01/45/40/225014540.db2.gz FVYYRWODYILGLA-URBCHYCLSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCOC1 ZINC000471756825 225076884 /nfs/dbraw/zinc/07/68/84/225076884.db2.gz HSNRRQWTJQRHQF-VXGBXAGGSA-N 2 1 237.347 1.367 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCOC1 ZINC000471756824 225077638 /nfs/dbraw/zinc/07/76/38/225077638.db2.gz HSNRRQWTJQRHQF-RYUDHWBXSA-N 2 1 237.347 1.367 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494223722 226262369 /nfs/dbraw/zinc/26/23/69/226262369.db2.gz OHKALHSBJOLPTA-DGCLKSJQSA-N 2 1 237.347 1.739 20 0 BDADMP C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400360920 226341679 /nfs/dbraw/zinc/34/16/79/226341679.db2.gz BWYITTKGILZKKP-SCRDCRAPSA-N 2 1 237.391 1.201 20 0 BDADMP C[NH+](C)C1(C[NH2+]CC[C@H]2CCOC2)CCCC1 ZINC000400525317 226345655 /nfs/dbraw/zinc/34/56/55/226345655.db2.gz FIXFTBQNGZUPPC-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228575663 487679871 /nfs/dbraw/zinc/67/98/71/487679871.db2.gz ZBHIFHPBGWIZFP-DCAQKATOSA-N 2 1 200.326 1.094 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cncc(C)c2)C1 ZINC000228618670 487695631 /nfs/dbraw/zinc/69/56/31/487695631.db2.gz BUZAPKANUANXLI-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cncc(C)c2)C1 ZINC000228618670 487695642 /nfs/dbraw/zinc/69/56/42/487695642.db2.gz BUZAPKANUANXLI-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(F)c1 ZINC000228618959 487695512 /nfs/dbraw/zinc/69/55/12/487695512.db2.gz JLPDOMIYKNQTKX-JTQLQIEISA-N 2 1 238.306 1.615 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(F)c1 ZINC000228618959 487695519 /nfs/dbraw/zinc/69/55/19/487695519.db2.gz JLPDOMIYKNQTKX-JTQLQIEISA-N 2 1 238.306 1.615 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000397358625 262924328 /nfs/dbraw/zinc/92/43/28/262924328.db2.gz FVNFQOYOBFTMDF-BZPMIXESSA-N 2 1 233.359 1.887 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000228725626 487718994 /nfs/dbraw/zinc/71/89/94/487718994.db2.gz XLWMIQIIFHDQCX-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP CCCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000249861514 487724786 /nfs/dbraw/zinc/72/47/86/487724786.db2.gz WGAJKLGEYGMJEX-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP CCCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000249861514 487724782 /nfs/dbraw/zinc/72/47/82/487724782.db2.gz WGAJKLGEYGMJEX-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP COC(=O)c1cc(C[NH2+][C@H](C)CC[NH3+])oc1C ZINC000414875042 487733783 /nfs/dbraw/zinc/73/37/83/487733783.db2.gz BQLDDZPXUDDOFK-MRVPVSSYSA-N 2 1 240.303 1.202 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000250523702 487734342 /nfs/dbraw/zinc/73/43/42/487734342.db2.gz QMIRMCQQHAWJDK-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCOCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000379463975 487734507 /nfs/dbraw/zinc/73/45/07/487734507.db2.gz VVOLYVVNDJOTNZ-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000385226345 487772513 /nfs/dbraw/zinc/77/25/13/487772513.db2.gz DYBGNWMMBROKNY-GJZGRUSLSA-N 2 1 245.370 1.951 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000223649592 487788671 /nfs/dbraw/zinc/78/86/71/487788671.db2.gz KWTCGFSWGBFBBW-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1COc2ccccc2C1 ZINC000415088459 487809101 /nfs/dbraw/zinc/80/91/01/487809101.db2.gz XNWNMAFJVVBENR-KGLIPLIRSA-N 2 1 248.370 1.953 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000681548436 487812263 /nfs/dbraw/zinc/81/22/63/487812263.db2.gz YPLFWUMLOGAILB-SECBINFHSA-N 2 1 233.319 1.345 20 0 BDADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC[NH3+])C12CCC2 ZINC000414697666 487817281 /nfs/dbraw/zinc/81/72/81/487817281.db2.gz CPYGIKOGVPLZCR-RYUDHWBXSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+]CCC[NH2+]C1(c2ccccc2F)CC1 ZINC000414698981 487818050 /nfs/dbraw/zinc/81/80/50/487818050.db2.gz DPWSGKYEIATZRE-UHFFFAOYSA-N 2 1 208.280 1.753 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1scnc1C1CC1 ZINC000414837260 487825909 /nfs/dbraw/zinc/82/59/09/487825909.db2.gz JJEUNKVSHIYGGP-SECBINFHSA-N 2 1 239.388 1.966 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000414921792 487829105 /nfs/dbraw/zinc/82/91/05/487829105.db2.gz FWNHTLUWVGMRSN-FQUUOJAGSA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000414921792 487829108 /nfs/dbraw/zinc/82/91/08/487829108.db2.gz FWNHTLUWVGMRSN-FQUUOJAGSA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000414921792 487829102 /nfs/dbraw/zinc/82/91/02/487829102.db2.gz FWNHTLUWVGMRSN-FQUUOJAGSA-N 3 1 239.407 1.576 20 0 BDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])CCC)C1 ZINC000389737946 487833560 /nfs/dbraw/zinc/83/35/60/487833560.db2.gz LFSZXPAVXYCAOZ-WCQYABFASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000676325410 487837793 /nfs/dbraw/zinc/83/77/93/487837793.db2.gz IGNCYFIHTFRXIU-GWCFXTLKSA-N 2 1 244.342 1.935 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000676325410 487837794 /nfs/dbraw/zinc/83/77/94/487837794.db2.gz IGNCYFIHTFRXIU-GWCFXTLKSA-N 2 1 244.342 1.935 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOC(F)F ZINC000852750602 588700017 /nfs/dbraw/zinc/70/00/17/588700017.db2.gz ZUAYGJAUKCEGON-HRDYMLBCSA-N 2 1 222.279 1.202 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000309912008 487847370 /nfs/dbraw/zinc/84/73/70/487847370.db2.gz SEDOYZFCQPYMML-DZGCQCFKSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](CCCO)C2CC2)CC[NH2+]1 ZINC000666640271 487848988 /nfs/dbraw/zinc/84/89/88/487848988.db2.gz RDZBRWVLQXNRSC-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP COC[C@H](C)C[N@H+](CCN)Cc1ccccc1 ZINC000234694839 487855336 /nfs/dbraw/zinc/85/53/36/487855336.db2.gz XTODGCYOYAROMH-CYBMUJFWSA-N 2 1 236.359 1.730 20 0 BDADMP COC[C@H](C)C[N@@H+](CCN)Cc1ccccc1 ZINC000234694839 487855341 /nfs/dbraw/zinc/85/53/41/487855341.db2.gz XTODGCYOYAROMH-CYBMUJFWSA-N 2 1 236.359 1.730 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CC1(O)CCC1 ZINC000566105970 322957310 /nfs/dbraw/zinc/95/73/10/322957310.db2.gz CMHRYFMPSQGDJG-UHFFFAOYSA-N 2 1 223.320 1.086 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C(C)C ZINC000234715213 487865792 /nfs/dbraw/zinc/86/57/92/487865792.db2.gz ZKSCNSIKJWCAOZ-VXGBXAGGSA-N 2 1 214.353 1.389 20 0 BDADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000666783282 487880091 /nfs/dbraw/zinc/88/00/91/487880091.db2.gz WRTDQHGMRUHTFM-CHWSQXEVSA-N 2 1 246.354 1.894 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000682029238 487883381 /nfs/dbraw/zinc/88/33/81/487883381.db2.gz NWIYONXKKBKDGX-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403813909 487890730 /nfs/dbraw/zinc/89/07/30/487890730.db2.gz LKFKCGZCJZYCQD-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858065 487891606 /nfs/dbraw/zinc/89/16/06/487891606.db2.gz VUAIJBGZGNIIBI-LBPRGKRZSA-N 2 1 236.363 1.696 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CCC2(CCCC2)O1 ZINC000229259122 487898939 /nfs/dbraw/zinc/89/89/39/487898939.db2.gz ZOJIARIJYAKKNJ-GFCCVEGCSA-N 2 1 226.364 1.759 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000666968924 487921499 /nfs/dbraw/zinc/92/14/99/487921499.db2.gz IUKNPEGKHGIPIR-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000404663530 487930994 /nfs/dbraw/zinc/93/09/94/487930994.db2.gz XQGSTSLFJQFVRQ-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCF)C1 ZINC000652363590 487933264 /nfs/dbraw/zinc/93/32/64/487933264.db2.gz IXSXHBLSFDOIML-FRRDWIJNSA-N 2 1 244.354 1.707 20 0 BDADMP c1ccc(C2CC2)c(CNC[C@H]2C[NH2+]CCO2)c1 ZINC000667036200 487933433 /nfs/dbraw/zinc/93/34/33/487933433.db2.gz VKGXKHKSDRNZSF-CQSZACIVSA-N 2 1 246.354 1.642 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404977938 487938500 /nfs/dbraw/zinc/93/85/00/487938500.db2.gz BSLRZFBBDWKIFJ-NEPJUHHUSA-N 2 1 218.344 1.995 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000570400430 323058509 /nfs/dbraw/zinc/05/85/09/323058509.db2.gz YFSIEABBVVBRDM-UHFFFAOYSA-N 2 1 249.358 1.102 20 0 BDADMP C[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)[C@H](C)[NH3+] ZINC000570422905 323059127 /nfs/dbraw/zinc/05/91/27/323059127.db2.gz JJVPIOGTQNBZKW-NWDGAFQWSA-N 2 1 244.342 1.698 20 0 BDADMP C[C@]1(CNCc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000563135411 323094562 /nfs/dbraw/zinc/09/45/62/323094562.db2.gz LYCDEXLSPQRZGS-AWEZNQCLSA-N 2 1 233.359 1.235 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000224539690 323097579 /nfs/dbraw/zinc/09/75/79/323097579.db2.gz WQZLGIKGXFYPHX-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567896413 323097961 /nfs/dbraw/zinc/09/79/61/323097961.db2.gz JVQOICJXHKWJBL-AVGNSLFASA-N 3 1 225.380 1.045 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCCc2ccccc21 ZINC000571047213 323105242 /nfs/dbraw/zinc/10/52/42/323105242.db2.gz LIDMSJBCFUYLFA-HNNXBMFYSA-N 2 1 248.370 1.971 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000563364973 323121189 /nfs/dbraw/zinc/12/11/89/323121189.db2.gz RYGMCUIXWXNVKE-CHWSQXEVSA-N 2 1 237.347 1.198 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000563364973 323121190 /nfs/dbraw/zinc/12/11/90/323121190.db2.gz RYGMCUIXWXNVKE-CHWSQXEVSA-N 2 1 237.347 1.198 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CCO)c2ccco2)C1 ZINC000563427354 323126191 /nfs/dbraw/zinc/12/61/91/323126191.db2.gz YBMWEWRBXBFKLX-GRYCIOLGSA-N 2 1 238.331 1.563 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000563528760 323129195 /nfs/dbraw/zinc/12/91/95/323129195.db2.gz FAAJUUOQQIWFKI-FRRDWIJNSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000563616186 323131564 /nfs/dbraw/zinc/13/15/64/323131564.db2.gz NYGSYTIBPQIJKI-FRRDWIJNSA-N 2 1 238.375 1.533 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000310541207 323132858 /nfs/dbraw/zinc/13/28/58/323132858.db2.gz QYHQBOUQQSGBAS-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP CCCc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000563638417 323133365 /nfs/dbraw/zinc/13/33/65/323133365.db2.gz ZEGPSHDIWOENGW-WDEREUQCSA-N 2 1 237.347 1.987 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000571111893 323135904 /nfs/dbraw/zinc/13/59/04/323135904.db2.gz CJGNMHZXBHFLGY-ZUWCUPBKSA-N 2 1 238.375 1.626 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]CC1CCCCC1 ZINC000259006534 323146693 /nfs/dbraw/zinc/14/66/93/323146693.db2.gz XAQDUSZAJRNZTD-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC000414870105 323151738 /nfs/dbraw/zinc/15/17/38/323151738.db2.gz RZLMJEQQGVATAN-RWMBFGLXSA-N 2 1 226.364 1.533 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000535034699 323164136 /nfs/dbraw/zinc/16/41/36/323164136.db2.gz IYMILHFVEQFJQK-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000535034727 323164187 /nfs/dbraw/zinc/16/41/87/323164187.db2.gz IYMILHFVEQFJQK-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395137307 323188838 /nfs/dbraw/zinc/18/88/38/323188838.db2.gz SOIKNQAOQPQBGK-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP CSCC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535758153 323190512 /nfs/dbraw/zinc/19/05/12/323190512.db2.gz ZCNGADDNYZZACN-SNVBAGLBSA-N 2 1 225.361 1.572 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCCn1ccnc1 ZINC000399303308 323203387 /nfs/dbraw/zinc/20/33/87/323203387.db2.gz XZWCEWHHJCOVRZ-VXGBXAGGSA-N 2 1 223.320 1.118 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000309043893 323205450 /nfs/dbraw/zinc/20/54/50/323205450.db2.gz NBYMTQJZXNGMJN-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000309043893 323205451 /nfs/dbraw/zinc/20/54/51/323205451.db2.gz NBYMTQJZXNGMJN-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000395211270 323221610 /nfs/dbraw/zinc/22/16/10/323221610.db2.gz QBZWGUNXJPOIQD-QWHCGFSZSA-N 2 1 240.391 1.802 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000070836798 323314488 /nfs/dbraw/zinc/31/44/88/323314488.db2.gz IPQUKJLLAYHHKJ-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000070836798 323314492 /nfs/dbraw/zinc/31/44/92/323314492.db2.gz IPQUKJLLAYHHKJ-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CSC ZINC000309301268 323341214 /nfs/dbraw/zinc/34/12/14/323341214.db2.gz YJPSCZZXOXPBHN-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CSC ZINC000309301268 323341217 /nfs/dbraw/zinc/34/12/17/323341217.db2.gz YJPSCZZXOXPBHN-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CSC ZINC000309301268 323341219 /nfs/dbraw/zinc/34/12/19/323341219.db2.gz YJPSCZZXOXPBHN-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CSC ZINC000309301268 323341221 /nfs/dbraw/zinc/34/12/21/323341221.db2.gz YJPSCZZXOXPBHN-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1C(C)C ZINC000309293261 323341438 /nfs/dbraw/zinc/34/14/38/323341438.db2.gz WJKRKEUNXMCEDY-NSHDSACASA-N 2 1 225.336 1.319 20 0 BDADMP CC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1C(C)C ZINC000309293261 323341444 /nfs/dbraw/zinc/34/14/44/323341444.db2.gz WJKRKEUNXMCEDY-NSHDSACASA-N 2 1 225.336 1.319 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000653543507 487962952 /nfs/dbraw/zinc/96/29/52/487962952.db2.gz QHUIDPHJTGHJEI-CHWSQXEVSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000653543507 487962961 /nfs/dbraw/zinc/96/29/61/487962961.db2.gz QHUIDPHJTGHJEI-CHWSQXEVSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000653543507 487962964 /nfs/dbraw/zinc/96/29/64/487962964.db2.gz QHUIDPHJTGHJEI-CHWSQXEVSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000653543507 487962971 /nfs/dbraw/zinc/96/29/71/487962971.db2.gz QHUIDPHJTGHJEI-CHWSQXEVSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]([NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000530224085 324543890 /nfs/dbraw/zinc/54/38/90/324543890.db2.gz KXXSHZQFDTYXCK-HTXLXMOSSA-N 2 1 226.364 1.528 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000130049109 325007613 /nfs/dbraw/zinc/00/76/13/325007613.db2.gz CXYJSIVPARVUJR-XQHKEYJVSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCO1 ZINC000130049109 325007617 /nfs/dbraw/zinc/00/76/17/325007617.db2.gz CXYJSIVPARVUJR-XQHKEYJVSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@H](C(=O)NCC[N@@H+](CC)C(C)C)[NH+](C)C ZINC000131457419 325153269 /nfs/dbraw/zinc/15/32/69/325153269.db2.gz KTUOTOKMIGCBNA-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000546704657 325302972 /nfs/dbraw/zinc/30/29/72/325302972.db2.gz HPEYJYAMRBEBBS-UHFFFAOYSA-N 2 1 247.346 1.450 20 0 BDADMP C[C@@H](O)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000134998333 325387382 /nfs/dbraw/zinc/38/73/82/325387382.db2.gz QMUJGRKEIXZUOD-SNVBAGLBSA-N 2 1 223.320 1.008 20 0 BDADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cn[nH]c1 ZINC000566415955 326042648 /nfs/dbraw/zinc/04/26/48/326042648.db2.gz GWOGCZSTYMLRES-JTQLQIEISA-N 2 1 233.319 1.427 20 0 BDADMP Cn1cncc1CCC[N@@H+](C)CCn1cccn1 ZINC000566418363 326043249 /nfs/dbraw/zinc/04/32/49/326043249.db2.gz GANSGNJCPYXWPR-UHFFFAOYSA-N 2 1 247.346 1.181 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CCn1cccn1 ZINC000566418363 326043252 /nfs/dbraw/zinc/04/32/52/326043252.db2.gz GANSGNJCPYXWPR-UHFFFAOYSA-N 2 1 247.346 1.181 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCn1cccn1 ZINC000566418363 326043254 /nfs/dbraw/zinc/04/32/54/326043254.db2.gz GANSGNJCPYXWPR-UHFFFAOYSA-N 2 1 247.346 1.181 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncnc2C)C1 ZINC000566475515 326054270 /nfs/dbraw/zinc/05/42/70/326054270.db2.gz MFIXYQSGOZPBSS-AAEUAGOBSA-N 2 1 248.374 1.777 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncnc2C)C1 ZINC000566475515 326054273 /nfs/dbraw/zinc/05/42/73/326054273.db2.gz MFIXYQSGOZPBSS-AAEUAGOBSA-N 2 1 248.374 1.777 20 0 BDADMP CC[C@@H](c1nc(C[C@H](C)[NH2+]C)no1)[NH+](C)C ZINC000566914367 326093526 /nfs/dbraw/zinc/09/35/26/326093526.db2.gz MSLYOMAZTRHNGF-IUCAKERBSA-N 2 1 226.324 1.233 20 0 BDADMP CCN1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000566973391 326098590 /nfs/dbraw/zinc/09/85/90/326098590.db2.gz IXKIOUMLFDDHEB-UHFFFAOYSA-N 2 1 247.386 1.719 20 0 BDADMP CC[NH+]1CCC(NCc2ccc(C[NH3+])cc2)CC1 ZINC000566973391 326098592 /nfs/dbraw/zinc/09/85/92/326098592.db2.gz IXKIOUMLFDDHEB-UHFFFAOYSA-N 2 1 247.386 1.719 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000567226794 326146126 /nfs/dbraw/zinc/14/61/26/326146126.db2.gz DYMIORBMXAOQLY-RFQIPJPRSA-N 2 1 232.327 1.898 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(O)c1 ZINC000567456510 326195864 /nfs/dbraw/zinc/19/58/64/326195864.db2.gz SOMGXFXOIKLUJB-GFCCVEGCSA-N 2 1 234.343 1.824 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCOCC1 ZINC000155929232 326214911 /nfs/dbraw/zinc/21/49/11/326214911.db2.gz NBRPSMVTDZHCCQ-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP Cc1[nH]nc2ncc(C[N@H+](C)CCC[NH3+])cc12 ZINC000567864622 326272700 /nfs/dbraw/zinc/27/27/00/326272700.db2.gz DETYTGJVTPIHCR-UHFFFAOYSA-N 2 1 233.319 1.047 20 0 BDADMP Cc1[nH]nc2ncc(C[N@@H+](C)CCC[NH3+])cc12 ZINC000567864622 326272703 /nfs/dbraw/zinc/27/27/03/326272703.db2.gz DETYTGJVTPIHCR-UHFFFAOYSA-N 2 1 233.319 1.047 20 0 BDADMP Cc1[nH+]ccn1CCCSCC[NH+](C)C ZINC000157740877 326293435 /nfs/dbraw/zinc/29/34/35/326293435.db2.gz BFMXLDXPDPOJSK-UHFFFAOYSA-N 2 1 227.377 1.876 20 0 BDADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000314228149 326295050 /nfs/dbraw/zinc/29/50/50/326295050.db2.gz WSDGKTSGZFEXOY-NEPJUHHUSA-N 2 1 237.347 1.367 20 0 BDADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000568051606 326300502 /nfs/dbraw/zinc/30/05/02/326300502.db2.gz UEIUOIBCSCTIFQ-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC12CCOCC2 ZINC000568604870 326366928 /nfs/dbraw/zinc/36/69/28/326366928.db2.gz CDUGHJBCMGWLFW-ZDUSSCGKSA-N 2 1 249.358 1.511 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC1(C)C ZINC000568763978 326376258 /nfs/dbraw/zinc/37/62/58/326376258.db2.gz LQFCWRNNBBUYHD-QWRGUYRKSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC1(C)C ZINC000568763978 326376259 /nfs/dbraw/zinc/37/62/59/326376259.db2.gz LQFCWRNNBBUYHD-QWRGUYRKSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC1(C)C ZINC000568763978 326376261 /nfs/dbraw/zinc/37/62/61/326376261.db2.gz LQFCWRNNBBUYHD-QWRGUYRKSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000568763978 326376262 /nfs/dbraw/zinc/37/62/62/326376262.db2.gz LQFCWRNNBBUYHD-QWRGUYRKSA-N 2 1 214.353 1.029 20 0 BDADMP CN(CCC[N@@H+](C)C1CCCC1)CC[NH+](C)C ZINC000677221234 488002943 /nfs/dbraw/zinc/00/29/43/488002943.db2.gz ISQBOVQKODFBLJ-UHFFFAOYSA-N 2 1 241.423 1.744 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147486976 488029309 /nfs/dbraw/zinc/02/93/09/488029309.db2.gz UKGVPPQRLZFALZ-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135416070 488035079 /nfs/dbraw/zinc/03/50/79/488035079.db2.gz XCGTXMZQEZCTMS-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1[nH+]cc(CN2CCC([NH+](C)C)CC2)n1C ZINC000667516649 488036652 /nfs/dbraw/zinc/03/66/52/488036652.db2.gz DDMPFAQFQAAUQC-UHFFFAOYSA-N 2 1 236.363 1.255 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084385373 488049711 /nfs/dbraw/zinc/04/97/11/488049711.db2.gz RWQOCXZRDPEDMP-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000362323914 488056432 /nfs/dbraw/zinc/05/64/32/488056432.db2.gz ODBHAFLIKBVJML-CHWSQXEVSA-N 2 1 237.347 1.510 20 0 BDADMP c1[nH+]c2n(c1CN1C[C@@H]3CCC[NH2+][C@@H]3C1)CCC2 ZINC000667646249 488070333 /nfs/dbraw/zinc/07/03/33/488070333.db2.gz OGKXCABVDUKDLC-WCQYABFASA-N 2 1 246.358 1.013 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc[nH+]1 ZINC000430998560 488077716 /nfs/dbraw/zinc/07/77/16/488077716.db2.gz CKXPOTNEMWEJAL-MNOVXSKESA-N 2 1 248.330 1.214 20 0 BDADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000257687452 488081646 /nfs/dbraw/zinc/08/16/46/488081646.db2.gz MRTASSUBUBECNH-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000257687452 488081653 /nfs/dbraw/zinc/08/16/53/488081653.db2.gz MRTASSUBUBECNH-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000389253515 488085269 /nfs/dbraw/zinc/08/52/69/488085269.db2.gz NEFRJFHHLQVUGP-MELADBBJSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)n1C ZINC000667695033 488090188 /nfs/dbraw/zinc/09/01/88/488090188.db2.gz HLPCBPGHOHEJSD-OCCSQVGLSA-N 2 1 249.358 1.729 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1COC ZINC000683140588 488118389 /nfs/dbraw/zinc/11/83/89/488118389.db2.gz AXXIXZVGUSXWFH-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403271925 488119924 /nfs/dbraw/zinc/11/99/24/488119924.db2.gz KKURHXOGCKMKCO-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403457720 488124604 /nfs/dbraw/zinc/12/46/04/488124604.db2.gz ZOAUQUBLSFQAAP-FVCCEPFGSA-N 2 1 208.349 1.716 20 0 BDADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403457720 488124611 /nfs/dbraw/zinc/12/46/11/488124611.db2.gz ZOAUQUBLSFQAAP-FVCCEPFGSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC000403696108 488132625 /nfs/dbraw/zinc/13/26/25/488132625.db2.gz BCYNYIMZZWZCNN-ZSLBOAEBSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC000403696108 488132627 /nfs/dbraw/zinc/13/26/27/488132627.db2.gz BCYNYIMZZWZCNN-ZSLBOAEBSA-N 2 1 238.375 1.471 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C1CCC1 ZINC000662276000 487530403 /nfs/dbraw/zinc/53/04/03/487530403.db2.gz GSYODOPBLAFACE-ZMJPVWNMSA-N 2 1 240.391 1.778 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCOC1 ZINC000674301351 487552844 /nfs/dbraw/zinc/55/28/44/487552844.db2.gz ATRFVRKKGGZQGT-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCOC1 ZINC000674301351 487552848 /nfs/dbraw/zinc/55/28/48/487552848.db2.gz ATRFVRKKGGZQGT-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000674301351 487552852 /nfs/dbraw/zinc/55/28/52/487552852.db2.gz ATRFVRKKGGZQGT-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)[NH2+]C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674300698 487552893 /nfs/dbraw/zinc/55/28/93/487552893.db2.gz DWTZPQWBSDIKAE-ZDUSSCGKSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000399627303 487491427 /nfs/dbraw/zinc/49/14/27/487491427.db2.gz VRNWQHNGVQQPJF-YIYPIFLZSA-N 2 1 242.407 1.664 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000399627303 487491432 /nfs/dbraw/zinc/49/14/32/487491432.db2.gz VRNWQHNGVQQPJF-YIYPIFLZSA-N 2 1 242.407 1.664 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000399627303 487491436 /nfs/dbraw/zinc/49/14/36/487491436.db2.gz VRNWQHNGVQQPJF-YIYPIFLZSA-N 2 1 242.407 1.664 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000300580514 487492030 /nfs/dbraw/zinc/49/20/30/487492030.db2.gz BSAIAJPTCDAEQM-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000300580514 487492034 /nfs/dbraw/zinc/49/20/34/487492034.db2.gz BSAIAJPTCDAEQM-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+](CCC1CCCC1)CCN1CC[NH2+]CC1 ZINC000258891232 488141800 /nfs/dbraw/zinc/14/18/00/488141800.db2.gz JHQNPXUIWIUUDK-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCC(C)(C)C ZINC000399690519 487495595 /nfs/dbraw/zinc/49/55/95/487495595.db2.gz VSMGSEVZGCZXJA-GFCCVEGCSA-N 2 1 230.396 1.667 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC(C)(C)C ZINC000399690519 487495603 /nfs/dbraw/zinc/49/56/03/487495603.db2.gz VSMGSEVZGCZXJA-GFCCVEGCSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCC(C)(C)C ZINC000399690519 487495606 /nfs/dbraw/zinc/49/56/06/487495606.db2.gz VSMGSEVZGCZXJA-GFCCVEGCSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC(C)(C)C ZINC000399690519 487495615 /nfs/dbraw/zinc/49/56/15/487495615.db2.gz VSMGSEVZGCZXJA-GFCCVEGCSA-N 2 1 230.396 1.667 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H]1C ZINC000381101007 487497408 /nfs/dbraw/zinc/49/74/08/487497408.db2.gz XVRYJCMNNHOKJT-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000381101007 487497411 /nfs/dbraw/zinc/49/74/11/487497411.db2.gz XVRYJCMNNHOKJT-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000381101007 487497414 /nfs/dbraw/zinc/49/74/14/487497414.db2.gz XVRYJCMNNHOKJT-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000300146545 487502354 /nfs/dbraw/zinc/50/23/54/487502354.db2.gz XSQFNTZVWFAPIN-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000227081223 487509606 /nfs/dbraw/zinc/50/96/06/487509606.db2.gz TVAHIZMSUVJJAR-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn[nH]c1 ZINC000677819204 487515507 /nfs/dbraw/zinc/51/55/07/487515507.db2.gz UNBRMXWZAAGRFR-UHFFFAOYSA-N 2 1 233.319 1.437 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn[nH]c1 ZINC000677819204 487515509 /nfs/dbraw/zinc/51/55/09/487515509.db2.gz UNBRMXWZAAGRFR-UHFFFAOYSA-N 2 1 233.319 1.437 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000167193724 488144147 /nfs/dbraw/zinc/14/41/47/488144147.db2.gz YKIDYQWIDLQTBN-VXGBXAGGSA-N 2 1 243.395 1.206 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657876588 488159439 /nfs/dbraw/zinc/15/94/39/488159439.db2.gz XZXMAQYRNSRQQZ-NDBYEHHHSA-N 2 1 240.391 1.323 20 0 BDADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000657877420 488159719 /nfs/dbraw/zinc/15/97/19/488159719.db2.gz RANGWUUOWNDDBW-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cn[nH]c1 ZINC000675497671 487741079 /nfs/dbraw/zinc/74/10/79/487741079.db2.gz HYLBYIHQSYQZHY-ZDUSSCGKSA-N 2 1 236.363 1.716 20 0 BDADMP Cc1cnn(CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000385231313 487774634 /nfs/dbraw/zinc/77/46/34/487774634.db2.gz HFVHTNVPJOAHFP-KBPBESRZSA-N 2 1 248.374 1.252 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668669225 488088476 /nfs/dbraw/zinc/08/84/76/488088476.db2.gz OKOJSLRSEBYZDH-CLLJXQQHSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC[N@@H+]1C ZINC000667885438 488148031 /nfs/dbraw/zinc/14/80/31/488148031.db2.gz RDFDLWYRXITRNA-RUZUBIRVSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC[N@H+]1C ZINC000667885438 488148035 /nfs/dbraw/zinc/14/80/35/488148035.db2.gz RDFDLWYRXITRNA-RUZUBIRVSA-N 2 1 238.375 1.626 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745768 488150549 /nfs/dbraw/zinc/15/05/49/488150549.db2.gz GEDBKNTXRHDDKM-YPMHNXCESA-N 2 1 236.363 1.022 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC1 ZINC000379951749 488163762 /nfs/dbraw/zinc/16/37/62/488163762.db2.gz FJXPIBRDKFCNME-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CCC1 ZINC000379951749 488163766 /nfs/dbraw/zinc/16/37/66/488163766.db2.gz FJXPIBRDKFCNME-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CCC1 ZINC000379951749 488163770 /nfs/dbraw/zinc/16/37/70/488163770.db2.gz FJXPIBRDKFCNME-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CN(C)c1nc(N2CCCC[C@@H]2CC[NH3+])cc[nH+]1 ZINC000085432210 488171421 /nfs/dbraw/zinc/17/14/21/488171421.db2.gz XLQVWOUGRZNYRS-LLVKDONJSA-N 2 1 249.362 1.250 20 0 BDADMP C[NH+](C)CCCNc1[nH+]cnc2[nH]ccc21 ZINC000263825798 488183747 /nfs/dbraw/zinc/18/37/47/488183747.db2.gz ZWWSUKAXRAUPLZ-UHFFFAOYSA-N 2 1 219.292 1.322 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cn[nH]c2)C1 ZINC000678285567 488237132 /nfs/dbraw/zinc/23/71/32/488237132.db2.gz NTTMLHAUTDZGAF-NSHDSACASA-N 2 1 222.336 1.183 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCOC2)CC[N@@H+]1C ZINC000678549703 488266633 /nfs/dbraw/zinc/26/66/33/488266633.db2.gz WKKCDGKJBJAVTB-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCOC2)CC[N@H+]1C ZINC000678549703 488266635 /nfs/dbraw/zinc/26/66/35/488266635.db2.gz WKKCDGKJBJAVTB-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678604992 488271147 /nfs/dbraw/zinc/27/11/47/488271147.db2.gz BIQNWGTWGALADC-IHRRRGAJSA-N 2 1 238.375 1.364 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340019 488341822 /nfs/dbraw/zinc/34/18/22/488341822.db2.gz MYYYOBLAOVTHAT-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP Cc1nc(NC2CC[NH2+]CC2)c(C)c(C)[nH+]1 ZINC000045950884 490156220 /nfs/dbraw/zinc/15/62/20/490156220.db2.gz LBHOMKFOTPRMGK-UHFFFAOYSA-N 2 1 220.320 1.566 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)O1 ZINC000227079372 490156219 /nfs/dbraw/zinc/15/62/19/490156219.db2.gz SJLGAHGNYGNTEG-IRCOFANPSA-N 2 1 212.337 1.223 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383723850 490199910 /nfs/dbraw/zinc/19/99/10/490199910.db2.gz YVWFAUSKVNIABO-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CO)CC[N@H+]1C ZINC000128103063 490571022 /nfs/dbraw/zinc/57/10/22/490571022.db2.gz DDLJTLGMHUWVTI-GHMZBOCLSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000129186286 490604288 /nfs/dbraw/zinc/60/42/88/490604288.db2.gz NDZGCARLSMXICW-STQMWFEESA-N 2 1 234.318 1.785 20 0 BDADMP CCc1nn(C)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531097 490673743 /nfs/dbraw/zinc/67/37/43/490673743.db2.gz AQUXBESGRNXMFQ-UHFFFAOYSA-N 2 1 236.363 1.296 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000387967030 491058598 /nfs/dbraw/zinc/05/85/98/491058598.db2.gz FEGQKIBHYAJQLM-FVCCEPFGSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000223198697 491112928 /nfs/dbraw/zinc/11/29/28/491112928.db2.gz YYFYXFAXAUQNSB-SDDRHHMPSA-N 2 1 213.369 1.009 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000083425633 491161642 /nfs/dbraw/zinc/16/16/42/491161642.db2.gz RPLXFCCWENYZML-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@H]1CCC[NH2+]1 ZINC000400496203 533880185 /nfs/dbraw/zinc/88/01/85/533880185.db2.gz DQQZMEZNALCFDC-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)CC[N@H+]1C ZINC000400587365 533947648 /nfs/dbraw/zinc/94/76/48/533947648.db2.gz NWUJHAHOJSJWDS-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000347125394 535897135 /nfs/dbraw/zinc/89/71/35/535897135.db2.gz YFPDQGAISILSDJ-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000070656533 536123130 /nfs/dbraw/zinc/12/31/30/536123130.db2.gz CGMRGDHGNPGZHT-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000336000009 536482052 /nfs/dbraw/zinc/48/20/52/536482052.db2.gz HCKFAUKJKXSEDM-GJZGRUSLSA-N 2 1 246.354 1.330 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000336000009 536482053 /nfs/dbraw/zinc/48/20/53/536482053.db2.gz HCKFAUKJKXSEDM-GJZGRUSLSA-N 2 1 246.354 1.330 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCOC1 ZINC000400622362 527080338 /nfs/dbraw/zinc/08/03/38/527080338.db2.gz LHXGUSAFRYMELN-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261529092 536522196 /nfs/dbraw/zinc/52/21/96/536522196.db2.gz AHNPPVSHRZWBRZ-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400514695 528484185 /nfs/dbraw/zinc/48/41/85/528484185.db2.gz MOQPCNCGCHIYKC-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP CCCCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400556729 528611509 /nfs/dbraw/zinc/61/15/09/528611509.db2.gz ZITQUOATPPWHIB-VXGBXAGGSA-N 2 1 214.353 1.533 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400337202 528828511 /nfs/dbraw/zinc/82/85/11/528828511.db2.gz GLBKPGAOWRIHRY-FRRDWIJNSA-N 2 1 227.396 1.445 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000309026221 528829923 /nfs/dbraw/zinc/82/99/23/528829923.db2.gz YCASTPRJOGUEPJ-NWDGAFQWSA-N 3 1 215.385 1.432 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000309026221 528829928 /nfs/dbraw/zinc/82/99/28/528829928.db2.gz YCASTPRJOGUEPJ-NWDGAFQWSA-N 3 1 215.385 1.432 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400358284 528976330 /nfs/dbraw/zinc/97/63/30/528976330.db2.gz CAGNPFVPABBEOG-MNOVXSKESA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000400395978 529368381 /nfs/dbraw/zinc/36/83/81/529368381.db2.gz OODYDHCQGHOXKG-AXFHLTTASA-N 2 1 200.326 1.142 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000224480055 535161915 /nfs/dbraw/zinc/16/19/15/535161915.db2.gz WUYASHPPCXFPIA-SNVBAGLBSA-N 2 1 236.306 1.075 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261930148 535211103 /nfs/dbraw/zinc/21/11/03/535211103.db2.gz CRLZKNNIDQRWKA-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000261535626 535419873 /nfs/dbraw/zinc/41/98/73/535419873.db2.gz OVGQLVPDYDSWTL-HBNTYKKESA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)CCOCC[NH3+] ZINC000086440096 535510596 /nfs/dbraw/zinc/51/05/96/535510596.db2.gz LYHFYUHIOLIMDH-LLVKDONJSA-N 2 1 202.342 1.330 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@H](C)[NH3+] ZINC000252582920 535544657 /nfs/dbraw/zinc/54/46/57/535544657.db2.gz WNOFEWCRYPRBHQ-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)CC(C)(C)[NH3+] ZINC000086189573 535591434 /nfs/dbraw/zinc/59/14/34/535591434.db2.gz YTYXMWQJOCNLSJ-NSHDSACASA-N 2 1 213.369 1.140 20 0 BDADMP CCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250420062 535627425 /nfs/dbraw/zinc/62/74/25/535627425.db2.gz ZWYLMAQYPNRQTA-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP CCOC1CC([NH2+]CCn2cc[nH+]c2C)C1 ZINC000224617531 535760570 /nfs/dbraw/zinc/76/05/70/535760570.db2.gz AJYZWBSVARISQI-UHFFFAOYSA-N 2 1 223.320 1.349 20 0 BDADMP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000348114039 535824746 /nfs/dbraw/zinc/82/47/46/535824746.db2.gz FOPORPATINKVLS-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000253075493 535859740 /nfs/dbraw/zinc/85/97/40/535859740.db2.gz QMGOANQNZWKVHO-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000347114100 535898474 /nfs/dbraw/zinc/89/84/74/535898474.db2.gz SDCDJROLUDYZCO-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000253258959 535902100 /nfs/dbraw/zinc/90/21/00/535902100.db2.gz HFVOKPSGHCUQAR-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000253258959 535902102 /nfs/dbraw/zinc/90/21/02/535902102.db2.gz HFVOKPSGHCUQAR-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000070656533 536123127 /nfs/dbraw/zinc/12/31/27/536123127.db2.gz CGMRGDHGNPGZHT-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP CCc1nc(N2C[C@H](C[NH3+])C[C@H]2C)cc(C)[nH+]1 ZINC000261560136 536126225 /nfs/dbraw/zinc/12/62/25/536126225.db2.gz UFOFGMXVHDDOKP-MNOVXSKESA-N 2 1 234.347 1.521 20 0 BDADMP CCc1nc(NC[C@@H](C)[NH2+]C)cc(C)[nH+]1 ZINC000261534408 536126387 /nfs/dbraw/zinc/12/63/87/536126387.db2.gz MHFGSRWMJBKQQQ-SECBINFHSA-N 2 1 208.309 1.367 20 0 BDADMP C[N@@H+](CCC1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000258942760 536326646 /nfs/dbraw/zinc/32/66/46/536326646.db2.gz IATAZRYMMFJBQI-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCOCc1ccccc1 ZINC000306854638 536342639 /nfs/dbraw/zinc/34/26/39/536342639.db2.gz VBXURPFXUSVHMU-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000087793101 536344015 /nfs/dbraw/zinc/34/40/15/536344015.db2.gz HMJDBQWGFSKKLC-LBPRGKRZSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000087234023 536344261 /nfs/dbraw/zinc/34/42/61/536344261.db2.gz YJTOHWRFOVONQB-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000222641208 536345548 /nfs/dbraw/zinc/34/55/48/536345548.db2.gz NPMNUNHTRXDBGI-STQMWFEESA-N 2 1 224.348 1.238 20 0 BDADMP C[NH+]1CCC(N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000084215964 536345580 /nfs/dbraw/zinc/34/55/80/536345580.db2.gz IAONFDYUWWRLCP-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1C ZINC000261766628 536767804 /nfs/dbraw/zinc/76/78/04/536767804.db2.gz DKMOYJONVXRUGQ-CYBMUJFWSA-N 2 1 234.343 1.784 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422416 536872790 /nfs/dbraw/zinc/87/27/90/536872790.db2.gz YJVBPVVAPZAPNA-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC1SCCS1 ZINC000853022926 588716779 /nfs/dbraw/zinc/71/67/79/588716779.db2.gz HVRWQTITVIBUST-NXEZZACHSA-N 2 1 246.445 1.852 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229192 588781060 /nfs/dbraw/zinc/78/10/60/588781060.db2.gz HWPZYAMKABKDCO-DBIOUOCHSA-N 2 1 246.301 1.270 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1SCCS1 ZINC000854231828 588781442 /nfs/dbraw/zinc/78/14/42/588781442.db2.gz NJUMVNKSJUDPGG-NXEZZACHSA-N 2 1 246.445 1.770 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348100669 582524976 /nfs/dbraw/zinc/52/49/76/582524976.db2.gz HCAKRDNZBCMCPM-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000892051952 582775022 /nfs/dbraw/zinc/77/50/22/582775022.db2.gz COZXMVMOQUMUND-BETUJISGSA-N 2 1 224.348 1.191 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000893668434 583192288 /nfs/dbraw/zinc/19/22/88/583192288.db2.gz FJVUPDOEYQSXKL-QWHCGFSZSA-N 2 1 239.407 1.353 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857087561 588886943 /nfs/dbraw/zinc/88/69/43/588886943.db2.gz UKRQEVATEPUGQP-UONOGXRCSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857087561 588886945 /nfs/dbraw/zinc/88/69/45/588886945.db2.gz UKRQEVATEPUGQP-UONOGXRCSA-N 2 1 239.407 1.709 20 0 BDADMP N[C@@]12CCC[C@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000857087561 588886946 /nfs/dbraw/zinc/88/69/46/588886946.db2.gz UKRQEVATEPUGQP-UONOGXRCSA-N 2 1 239.407 1.709 20 0 BDADMP N[C@@]12CCC[C@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000857087561 588886949 /nfs/dbraw/zinc/88/69/49/588886949.db2.gz UKRQEVATEPUGQP-UONOGXRCSA-N 2 1 239.407 1.709 20 0 BDADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cnc1F ZINC000894084619 583295257 /nfs/dbraw/zinc/29/52/57/583295257.db2.gz URIFERMHVHOZCY-BETUJISGSA-N 2 1 249.333 1.523 20 0 BDADMP CO[C@]1(C)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894136791 583314927 /nfs/dbraw/zinc/31/49/27/583314927.db2.gz SCNMASBRYOYCMZ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc[nH]1 ZINC000894164068 583322636 /nfs/dbraw/zinc/32/26/36/583322636.db2.gz AVPVKTGQFMBMLC-SNVBAGLBSA-N 2 1 233.319 1.341 20 0 BDADMP Cc1ncoc1C[NH2+]CCCn1cc[nH+]c1C ZINC000894194311 583333415 /nfs/dbraw/zinc/33/34/15/583333415.db2.gz RCBIPRGBNGQIOF-UHFFFAOYSA-N 2 1 234.303 1.668 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](O)C(C)C)C1 ZINC000878166777 583365208 /nfs/dbraw/zinc/36/52/08/583365208.db2.gz FNJGCUFGWSWBPQ-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](O)C(C)C)C1 ZINC000878166777 583365211 /nfs/dbraw/zinc/36/52/11/583365211.db2.gz FNJGCUFGWSWBPQ-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC000878166777 583365213 /nfs/dbraw/zinc/36/52/13/583365213.db2.gz FNJGCUFGWSWBPQ-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCO1 ZINC000894246362 583389790 /nfs/dbraw/zinc/38/97/90/583389790.db2.gz RUGYYXQALSSZJY-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000894252923 583393096 /nfs/dbraw/zinc/39/30/96/583393096.db2.gz CSQMBZATLOXKPT-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@H]1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894377748 583441981 /nfs/dbraw/zinc/44/19/81/583441981.db2.gz FWZZOIKECRLHAT-KBPBESRZSA-N 2 1 239.407 1.260 20 0 BDADMP C[N@H+](CCc1nccs1)C[C@@H]1CC[NH2+]C1 ZINC000647990310 583582148 /nfs/dbraw/zinc/58/21/48/583582148.db2.gz OEIMSGRGHPDQIX-SNVBAGLBSA-N 2 1 225.361 1.227 20 0 BDADMP C[N@@H+](CCc1nccs1)C[C@@H]1CC[NH2+]C1 ZINC000647990310 583582149 /nfs/dbraw/zinc/58/21/49/583582149.db2.gz OEIMSGRGHPDQIX-SNVBAGLBSA-N 2 1 225.361 1.227 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC ZINC000895128351 583599822 /nfs/dbraw/zinc/59/98/22/583599822.db2.gz XIQXXIUDIKMWCS-UTUOFQBUSA-N 2 1 242.363 1.258 20 0 BDADMP Cc1nc(F)ccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895291677 583637234 /nfs/dbraw/zinc/63/72/34/583637234.db2.gz ASHLPUMHRNHFNR-SNVBAGLBSA-N 2 1 239.338 1.959 20 0 BDADMP C[C@@H]1[C@H](Nc2nccc(N(C)C)n2)CC[N@H+]1C ZINC000895740214 583714580 /nfs/dbraw/zinc/71/45/80/583714580.db2.gz MKVVPFJSCMBDLQ-NXEZZACHSA-N 2 1 235.335 1.047 20 0 BDADMP CN1CC[C@H]1CNc1cc(N2CCCC2)ncn1 ZINC000895772098 583724874 /nfs/dbraw/zinc/72/48/74/583724874.db2.gz WRGGUGJYFWKHIX-NSHDSACASA-N 2 1 247.346 1.193 20 0 BDADMP CCO[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C[NH+](C)C ZINC000896879201 583845121 /nfs/dbraw/zinc/84/51/21/583845121.db2.gz ZTMSYVYAYOMANY-XJFOESAGSA-N 2 1 240.391 1.589 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2CC[NH2+]CC2)O1 ZINC000232018118 583849293 /nfs/dbraw/zinc/84/92/93/583849293.db2.gz AJZYNOCKPXLSPA-ZYHUDNBSSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000864451301 584005188 /nfs/dbraw/zinc/00/51/88/584005188.db2.gz HCLTYLSZZJYWCC-NEPJUHHUSA-N 2 1 238.379 1.194 20 0 BDADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864456202 584006100 /nfs/dbraw/zinc/00/61/00/584006100.db2.gz DOFFKIQPMPTMAH-NSHDSACASA-N 2 1 238.379 1.242 20 0 BDADMP C[N@@H+](CCNc1cc[nH+]c(CO)c1)C1CC1 ZINC000858363167 588948938 /nfs/dbraw/zinc/94/89/38/588948938.db2.gz QEXBIXJKQGGBSL-UHFFFAOYSA-N 2 1 221.304 1.080 20 0 BDADMP CC[N@@H+](CCNc1cc[nH+]c(CO)c1)C(C)C ZINC000858384516 588950030 /nfs/dbraw/zinc/95/00/30/588950030.db2.gz BBUZNKWAKPVDHY-UHFFFAOYSA-N 2 1 237.347 1.716 20 0 BDADMP CC(C)[N@@H+](C)CCNc1cc[nH+]c(CO)c1 ZINC000858384114 588950139 /nfs/dbraw/zinc/95/01/39/588950139.db2.gz FFCPLULSIPNAHO-UHFFFAOYSA-N 2 1 223.320 1.326 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CC2)CC1(C)C ZINC000898199995 584099070 /nfs/dbraw/zinc/09/90/70/584099070.db2.gz TWVCFDVNMKUHMQ-STQMWFEESA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)C2CC2)CC[N@H+]1C ZINC000898200279 584099514 /nfs/dbraw/zinc/09/95/14/584099514.db2.gz VOFOYVRPXZQXPU-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1ncccc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000898254390 584101505 /nfs/dbraw/zinc/10/15/05/584101505.db2.gz CMZSQGXMCNRJLA-UHFFFAOYSA-N 2 1 233.359 1.616 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000873281528 584128492 /nfs/dbraw/zinc/12/84/92/584128492.db2.gz KTUHKJSWYGCKMJ-PEDHHIEDSA-N 2 1 238.375 1.674 20 0 BDADMP OCc1cc(NCC[N@@H+]2CC=CCC2)cc[nH+]1 ZINC000858523673 588962890 /nfs/dbraw/zinc/96/28/90/588962890.db2.gz SUUXFHFJUQRKTJ-UHFFFAOYSA-N 2 1 233.315 1.248 20 0 BDADMP C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[N@@H+](C)C1CC1 ZINC000899264352 584188914 /nfs/dbraw/zinc/18/89/14/584188914.db2.gz CJSZNXAWIWARTJ-ZJUUUORDSA-N 2 1 238.379 1.382 20 0 BDADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899266369 584189695 /nfs/dbraw/zinc/18/96/95/584189695.db2.gz SLADHOODEUWXTK-GHMZBOCLSA-N 2 1 238.379 1.241 20 0 BDADMP C[C@H](Cc1[nH]cc[nH+]1)OC[C@@H]1CCCC[NH2+]C1 ZINC000899629479 584222093 /nfs/dbraw/zinc/22/20/93/584222093.db2.gz HYPUWNVMQRLUDU-VXGBXAGGSA-N 2 1 237.347 1.747 20 0 BDADMP c1c([C@H]2CCCC[NH2+]2)nnn1-c1cc[nH+]cc1 ZINC000899693567 584226999 /nfs/dbraw/zinc/22/69/99/584226999.db2.gz RNWHBSRVNYDBRX-LLVKDONJSA-N 2 1 229.287 1.477 20 0 BDADMP CNc1ccccc1CNC[C@@H]1CCC[N@@H+]1C ZINC000902103359 584523801 /nfs/dbraw/zinc/52/38/01/584523801.db2.gz IXIRAMLBNWBVMX-ZDUSSCGKSA-N 2 1 233.359 1.912 20 0 BDADMP CNc1ccccc1CNC[C@@H]1CCC[N@H+]1C ZINC000902103359 584523803 /nfs/dbraw/zinc/52/38/03/584523803.db2.gz IXIRAMLBNWBVMX-ZDUSSCGKSA-N 2 1 233.359 1.912 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346426 584558215 /nfs/dbraw/zinc/55/82/15/584558215.db2.gz LUBDOMOVEWUYMP-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346426 584558216 /nfs/dbraw/zinc/55/82/16/584558216.db2.gz LUBDOMOVEWUYMP-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](CCCc1cccnc1)[NH2+]CC1([NH3+])CC1 ZINC000902403638 584588489 /nfs/dbraw/zinc/58/84/89/584588489.db2.gz AINJLBVDYPFNMP-GFCCVEGCSA-N 2 1 233.359 1.874 20 0 BDADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415732 584589947 /nfs/dbraw/zinc/58/99/47/584589947.db2.gz PVYBUPCDHDJFSE-JTQLQIEISA-N 2 1 220.316 1.837 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH3+])CC1)CC2 ZINC000902413312 584599481 /nfs/dbraw/zinc/59/94/81/584599481.db2.gz JYJQMYQHJTZISZ-ZDUSSCGKSA-N 2 1 246.354 1.633 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000902450090 584606238 /nfs/dbraw/zinc/60/62/38/584606238.db2.gz QNJISWJPCRHJCZ-NXEZZACHSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)c1cncs1)C1C[NH2+]C1 ZINC000902454005 584608623 /nfs/dbraw/zinc/60/86/23/584608623.db2.gz HCOAFTVTARWTJC-SFYZADRCSA-N 2 1 211.334 1.402 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCCC1 ZINC000902467782 584615060 /nfs/dbraw/zinc/61/50/60/584615060.db2.gz KYLLOXHYJFFDQL-REWJHTLYSA-N 2 1 238.375 1.674 20 0 BDADMP C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470263 584616921 /nfs/dbraw/zinc/61/69/21/584616921.db2.gz VQSKVDXURAJQFM-QCNOEVLYSA-N 2 1 206.333 1.802 20 0 BDADMP N[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2ccccc21 ZINC000902490105 584617485 /nfs/dbraw/zinc/61/74/85/584617485.db2.gz SDZMIULOZYXGBP-MHWZDGSBSA-N 2 1 231.343 1.458 20 0 BDADMP [NH3+]C[C@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000902490105 584617487 /nfs/dbraw/zinc/61/74/87/584617487.db2.gz SDZMIULOZYXGBP-MHWZDGSBSA-N 2 1 231.343 1.458 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902482490 584624275 /nfs/dbraw/zinc/62/42/75/584624275.db2.gz LZUSOGRBJMZTKY-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902518455 584630818 /nfs/dbraw/zinc/63/08/18/584630818.db2.gz LIXPEGJGBHMEKU-UTUOFQBUSA-N 2 1 224.348 1.142 20 0 BDADMP COC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055756 584722019 /nfs/dbraw/zinc/72/20/19/584722019.db2.gz LFIQXPIJZWTYQX-WDFAYWTNSA-N 2 1 238.375 1.769 20 0 BDADMP COC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055755 584722174 /nfs/dbraw/zinc/72/21/74/584722174.db2.gz LFIQXPIJZWTYQX-CRMUJIHISA-N 2 1 238.375 1.769 20 0 BDADMP CN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316721 584749873 /nfs/dbraw/zinc/74/98/73/584749873.db2.gz QNMNUVMJQCSPDP-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP COC[C@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)C(C)C ZINC000903427271 584761129 /nfs/dbraw/zinc/76/11/29/584761129.db2.gz VULMVJPVBFVYIK-AAEUAGOBSA-N 2 1 228.380 1.622 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431514 584762038 /nfs/dbraw/zinc/76/20/38/584762038.db2.gz XTDHYFBSFDUQBG-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCOC1 ZINC000903431513 584762410 /nfs/dbraw/zinc/76/24/10/584762410.db2.gz XTDHYFBSFDUQBG-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000903440187 584763011 /nfs/dbraw/zinc/76/30/11/584763011.db2.gz VNYHMHAYNXTYQC-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000903440187 584763012 /nfs/dbraw/zinc/76/30/12/584763012.db2.gz VNYHMHAYNXTYQC-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CCOC1CC1)CC[NH2+]CC2 ZINC000903459377 584765700 /nfs/dbraw/zinc/76/57/00/584765700.db2.gz HWZWXUKLGVMOQS-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000903459454 584766012 /nfs/dbraw/zinc/76/60/12/584766012.db2.gz TXSJTEPXPDJVOX-WOPDTQHZSA-N 2 1 219.332 1.588 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](c3cccnc3)C2)C1 ZINC000903460782 584766639 /nfs/dbraw/zinc/76/66/39/584766639.db2.gz HZWLLGBIGHNDPJ-NWANDNLSSA-N 2 1 245.370 1.998 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000903461210 584766643 /nfs/dbraw/zinc/76/66/43/584766643.db2.gz PJQVSGYPANJBFV-RFQIPJPRSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000903461210 584766644 /nfs/dbraw/zinc/76/66/44/584766644.db2.gz PJQVSGYPANJBFV-RFQIPJPRSA-N 2 1 239.407 1.291 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000903442266 584767202 /nfs/dbraw/zinc/76/72/02/584767202.db2.gz MZAJTRRJQIARMH-YNEHKIRRSA-N 2 1 248.374 1.717 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903453719 584773018 /nfs/dbraw/zinc/77/30/18/584773018.db2.gz JRQYZUMSUZHEPW-BFHYXJOUSA-N 3 1 237.391 1.189 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1ccns1 ZINC000903455556 584773830 /nfs/dbraw/zinc/77/38/30/584773830.db2.gz ZUMYBPPEWZWEIR-CKYFFXLPSA-N 2 1 239.388 1.662 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000903475715 584776795 /nfs/dbraw/zinc/77/67/95/584776795.db2.gz BBJSBWMCBYBGMH-IGQOVBAYSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000903475715 584776796 /nfs/dbraw/zinc/77/67/96/584776796.db2.gz BBJSBWMCBYBGMH-IGQOVBAYSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000903476311 584777395 /nfs/dbraw/zinc/77/73/95/584777395.db2.gz UGXJDEFBVZWLFG-NDBYEHHHSA-N 2 1 240.416 1.527 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482857 584778602 /nfs/dbraw/zinc/77/86/02/584778602.db2.gz WDPHZNIVQWTXIA-OLZOCXBDSA-N 3 1 227.396 1.565 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903482182 584778880 /nfs/dbraw/zinc/77/88/80/584778880.db2.gz YWZCJLYQKJDMLM-RFGFWPKPSA-N 2 1 238.375 1.343 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000903481912 584779053 /nfs/dbraw/zinc/77/90/53/584779053.db2.gz QBCYSFAEBUYJEM-REWJHTLYSA-N 2 1 238.375 1.615 20 0 BDADMP CCCOC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499713 584780038 /nfs/dbraw/zinc/78/00/38/584780038.db2.gz MBVDCYNVQBULKU-IJLUTSLNSA-N 2 1 242.363 1.245 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H](OC)C1CCC1 ZINC000903526518 584781634 /nfs/dbraw/zinc/78/16/34/584781634.db2.gz JRQGTAODZRTHDO-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H](OC)C1CCC1 ZINC000903526518 584781635 /nfs/dbraw/zinc/78/16/35/584781635.db2.gz JRQGTAODZRTHDO-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1N ZINC000903557933 584782738 /nfs/dbraw/zinc/78/27/38/584782738.db2.gz IEUNUDNOFFPUMZ-GFCCVEGCSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)CN(CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903557933 584782739 /nfs/dbraw/zinc/78/27/39/584782739.db2.gz IEUNUDNOFFPUMZ-GFCCVEGCSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903557933 584782740 /nfs/dbraw/zinc/78/27/40/584782740.db2.gz IEUNUDNOFFPUMZ-GFCCVEGCSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903557933 584782741 /nfs/dbraw/zinc/78/27/41/584782741.db2.gz IEUNUDNOFFPUMZ-GFCCVEGCSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@@H+](CCCCCC[NH3+])C[C@H]1N ZINC000903556625 584782906 /nfs/dbraw/zinc/78/29/06/584782906.db2.gz BXVXDJSQCOSIFA-LLVKDONJSA-N 3 1 213.369 1.175 20 0 BDADMP CC1(C)CN(CCCCCC[NH3+])C[C@H]1[NH3+] ZINC000903556625 584782907 /nfs/dbraw/zinc/78/29/07/584782907.db2.gz BXVXDJSQCOSIFA-LLVKDONJSA-N 3 1 213.369 1.175 20 0 BDADMP CC1(C)C[N@H+](CCCCCC[NH3+])C[C@H]1[NH3+] ZINC000903556625 584782908 /nfs/dbraw/zinc/78/29/08/584782908.db2.gz BXVXDJSQCOSIFA-LLVKDONJSA-N 3 1 213.369 1.175 20 0 BDADMP CC1(C)C[N@@H+](CCCCCC[NH3+])C[C@H]1[NH3+] ZINC000903556625 584782909 /nfs/dbraw/zinc/78/29/09/584782909.db2.gz BXVXDJSQCOSIFA-LLVKDONJSA-N 3 1 213.369 1.175 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1C ZINC000903731613 584793010 /nfs/dbraw/zinc/79/30/10/584793010.db2.gz BVSZPPKKSLJLMW-MQYQWHSLSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903713496 584793874 /nfs/dbraw/zinc/79/38/74/584793874.db2.gz SVBZMBDWJYDBJG-LLVKDONJSA-N 2 1 240.326 1.023 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903713496 584793875 /nfs/dbraw/zinc/79/38/75/584793875.db2.gz SVBZMBDWJYDBJG-LLVKDONJSA-N 2 1 240.326 1.023 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000903752289 584795336 /nfs/dbraw/zinc/79/53/36/584795336.db2.gz MHAQJUABDLGAAF-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000903752289 584795337 /nfs/dbraw/zinc/79/53/37/584795337.db2.gz MHAQJUABDLGAAF-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@H+](CC1=CCSC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903765721 584797191 /nfs/dbraw/zinc/79/71/91/584797191.db2.gz KMLUICOVDIRLNR-GFCCVEGCSA-N 2 1 240.416 1.981 20 0 BDADMP CC1CC(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903770033 584797842 /nfs/dbraw/zinc/79/78/42/584797842.db2.gz RRJMMMIREFHQDN-TYUFSLCMSA-N 2 1 208.349 1.846 20 0 BDADMP CC1CC(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903770031 584798036 /nfs/dbraw/zinc/79/80/36/584798036.db2.gz RRJMMMIREFHQDN-TUUUFIMRSA-N 2 1 208.349 1.846 20 0 BDADMP CC1CC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000903781480 584799730 /nfs/dbraw/zinc/79/97/30/584799730.db2.gz RMUWTTWWRYISFL-TUUUFIMRSA-N 2 1 208.349 1.859 20 0 BDADMP CC1CC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000903781480 584799731 /nfs/dbraw/zinc/79/97/31/584799731.db2.gz RMUWTTWWRYISFL-TUUUFIMRSA-N 2 1 208.349 1.859 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903780002 584799768 /nfs/dbraw/zinc/79/97/68/584799768.db2.gz CJXXYHMERVIOJJ-CQSZACIVSA-N 3 1 241.423 1.827 20 0 BDADMP CC[C@@H](C)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815670 584801078 /nfs/dbraw/zinc/80/10/78/584801078.db2.gz ONAZAEIVYLCDAR-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCOC1CC1 ZINC000903806300 584803059 /nfs/dbraw/zinc/80/30/59/584803059.db2.gz UXDCOWGTYDFFBV-WCQYABFASA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCOC1CC1 ZINC000903806300 584803060 /nfs/dbraw/zinc/80/30/60/584803060.db2.gz UXDCOWGTYDFFBV-WCQYABFASA-N 2 1 224.348 1.369 20 0 BDADMP C[C@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810328 584803308 /nfs/dbraw/zinc/80/33/08/584803308.db2.gz BAJHZAIDODHXOU-RYUDHWBXSA-N 2 1 226.364 1.351 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903825960 584804588 /nfs/dbraw/zinc/80/45/88/584804588.db2.gz GFRCQFQMPJOGHP-DGCLKSJQSA-N 2 1 240.416 1.813 20 0 BDADMP Cc1cccc(C)c1C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903827902 584804918 /nfs/dbraw/zinc/80/49/18/584804918.db2.gz ZIYKRHSTVXFWFX-QEJZJMRPSA-N 2 1 248.370 1.586 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000903832991 584806146 /nfs/dbraw/zinc/80/61/46/584806146.db2.gz UZSYLATUVAEIKL-CQSZACIVSA-N 2 1 247.386 1.807 20 0 BDADMP C[NH2+]CCC[N@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000903832991 584806148 /nfs/dbraw/zinc/80/61/48/584806148.db2.gz UZSYLATUVAEIKL-CQSZACIVSA-N 2 1 247.386 1.807 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[C@@]13CCOC3)C2 ZINC000903838266 584806863 /nfs/dbraw/zinc/80/68/63/584806863.db2.gz AWPCUMPWGGZNDB-MQLXINIDSA-N 2 1 236.359 1.225 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC1CCOCC1 ZINC000903853078 584808318 /nfs/dbraw/zinc/80/83/18/584808318.db2.gz DIGSKRYYZMMGQJ-CHWSQXEVSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC1CCOCC1 ZINC000903853078 584808319 /nfs/dbraw/zinc/80/83/19/584808319.db2.gz DIGSKRYYZMMGQJ-CHWSQXEVSA-N 2 1 224.348 1.226 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2CC1CC=CC1 ZINC000903856621 584808568 /nfs/dbraw/zinc/80/85/68/584808568.db2.gz AOJBSSJUPWXYKE-QWHCGFSZSA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC1CC=CC1 ZINC000903856621 584808569 /nfs/dbraw/zinc/80/85/69/584808569.db2.gz AOJBSSJUPWXYKE-QWHCGFSZSA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC1CC=CC1 ZINC000903856621 584808570 /nfs/dbraw/zinc/80/85/70/584808570.db2.gz AOJBSSJUPWXYKE-QWHCGFSZSA-N 2 1 206.333 1.766 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903855582 584809596 /nfs/dbraw/zinc/80/95/96/584809596.db2.gz NOOUTOZYILMYCK-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855582 584809598 /nfs/dbraw/zinc/80/95/98/584809598.db2.gz NOOUTOZYILMYCK-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP COC(=O)CCCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903860877 584812400 /nfs/dbraw/zinc/81/24/00/584812400.db2.gz UNANYRMBPRFUJZ-YPMHNXCESA-N 2 1 240.347 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903860877 584812401 /nfs/dbraw/zinc/81/24/01/584812401.db2.gz UNANYRMBPRFUJZ-YPMHNXCESA-N 2 1 240.347 1.143 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903864293 584812833 /nfs/dbraw/zinc/81/28/33/584812833.db2.gz HJWLKJNZYHRWPO-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903864293 584812835 /nfs/dbraw/zinc/81/28/35/584812835.db2.gz HJWLKJNZYHRWPO-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP OC[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874146 584815760 /nfs/dbraw/zinc/81/57/60/584815760.db2.gz TWWVFPPSTXISCS-FUDCBSFHSA-N 2 1 238.375 1.221 20 0 BDADMP CCC[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879765 584817249 /nfs/dbraw/zinc/81/72/49/584817249.db2.gz JFMNXFMBPQVDSR-LBPRGKRZSA-N 2 1 238.379 1.188 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903881617 584817775 /nfs/dbraw/zinc/81/77/75/584817775.db2.gz HWFLEHIOVUJSLV-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000903882622 584818319 /nfs/dbraw/zinc/81/83/19/584818319.db2.gz QJKFHDGBOFRIGE-MBNYWOFBSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895845 584819413 /nfs/dbraw/zinc/81/94/13/584819413.db2.gz QQOYONIGPMOBQR-WODVXLOZSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000903909988 584821919 /nfs/dbraw/zinc/82/19/19/584821919.db2.gz ZCDFNKQKWSMOEY-OUAUKWLOSA-N 2 1 249.349 1.383 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919890 584823108 /nfs/dbraw/zinc/82/31/08/584823108.db2.gz QBXIYMFCFOCSGF-RKFYDKJMSA-N 3 1 237.391 1.105 20 0 BDADMP [NH3+][C@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918975 584823303 /nfs/dbraw/zinc/82/33/03/584823303.db2.gz JWYPDHYRMSGHCP-OAHLLOKOSA-N 3 1 245.370 1.159 20 0 BDADMP CC(C)([NH3+])CC[NH2+]Cc1cccnc1Cl ZINC000903938843 584827155 /nfs/dbraw/zinc/82/71/55/584827155.db2.gz MTSGPVCPCHLKGH-UHFFFAOYSA-N 2 1 227.739 1.952 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903953677 584831215 /nfs/dbraw/zinc/83/12/15/584831215.db2.gz IULBPTXIUVSATP-MXWKQRLJSA-N 2 1 248.317 1.470 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903953677 584831217 /nfs/dbraw/zinc/83/12/17/584831217.db2.gz IULBPTXIUVSATP-MXWKQRLJSA-N 2 1 248.317 1.470 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903953674 584831356 /nfs/dbraw/zinc/83/13/56/584831356.db2.gz IULBPTXIUVSATP-AXFHLTTASA-N 2 1 248.317 1.470 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903953674 584831357 /nfs/dbraw/zinc/83/13/57/584831357.db2.gz IULBPTXIUVSATP-AXFHLTTASA-N 2 1 248.317 1.470 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953379 584831483 /nfs/dbraw/zinc/83/14/83/584831483.db2.gz DQLSGVYUKRAKFJ-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000903955021 584832029 /nfs/dbraw/zinc/83/20/29/584832029.db2.gz YHPZPGZWOQVYFU-MNOVXSKESA-N 2 1 235.331 1.912 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978866 584833129 /nfs/dbraw/zinc/83/31/29/584833129.db2.gz NKZMEKHASREALC-JHJVBQTASA-N 2 1 227.396 1.195 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000904300177 584861107 /nfs/dbraw/zinc/86/11/07/584861107.db2.gz XYORGWJFUOBPBA-AWEZNQCLSA-N 3 1 233.359 1.316 20 0 BDADMP [NH3+]Cc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000904300177 584861108 /nfs/dbraw/zinc/86/11/08/584861108.db2.gz XYORGWJFUOBPBA-AWEZNQCLSA-N 2 1 233.359 1.316 20 0 BDADMP CC[N@@H+](CCc1ccccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312014 584862972 /nfs/dbraw/zinc/86/29/72/584862972.db2.gz DGNNFDBDRLGZBB-BETUJISGSA-N 2 1 233.359 1.683 20 0 BDADMP COC(=O)CC[N@@H+](CC(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313418 584863586 /nfs/dbraw/zinc/86/35/86/584863586.db2.gz ZOKCNZNTNZWYPA-TXEJJXNPSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329767 584865783 /nfs/dbraw/zinc/86/57/83/584865783.db2.gz UEWJOSHXBBIFDP-SDDRHHMPSA-N 2 1 219.332 1.812 20 0 BDADMP COC(=O)[C@@H]1CCCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332885 584866075 /nfs/dbraw/zinc/86/60/75/584866075.db2.gz SHRMZEMWSFAMRM-TUAOUCFPSA-N 2 1 240.347 1.141 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccc(O)cc3CC2)C1 ZINC000904335680 584866698 /nfs/dbraw/zinc/86/66/98/584866698.db2.gz JHRMABADHCOYSI-VDISTLRHSA-N 2 1 246.354 1.530 20 0 BDADMP Cn1ccnc1[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904345170 584867726 /nfs/dbraw/zinc/86/77/26/584867726.db2.gz DVPWAGILHMKISH-RWMBFGLXSA-N 2 1 248.374 1.337 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1O ZINC000904345296 584868453 /nfs/dbraw/zinc/86/84/53/584868453.db2.gz CRWAYIOLVCZLSP-FRRDWIJNSA-N 2 1 242.407 1.843 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1O ZINC000904345296 584868455 /nfs/dbraw/zinc/86/84/55/584868455.db2.gz CRWAYIOLVCZLSP-FRRDWIJNSA-N 2 1 242.407 1.843 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1O ZINC000904345298 584868534 /nfs/dbraw/zinc/86/85/34/584868534.db2.gz CRWAYIOLVCZLSP-UPJWGTAASA-N 2 1 242.407 1.843 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1O ZINC000904345298 584868535 /nfs/dbraw/zinc/86/85/35/584868535.db2.gz CRWAYIOLVCZLSP-UPJWGTAASA-N 2 1 242.407 1.843 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000904350714 584869546 /nfs/dbraw/zinc/86/95/46/584869546.db2.gz PVERPDXNSCTAHL-CABCVRRESA-N 3 1 245.370 1.329 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000904350714 584869547 /nfs/dbraw/zinc/86/95/47/584869547.db2.gz PVERPDXNSCTAHL-CABCVRRESA-N 3 1 245.370 1.329 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000904350716 584869623 /nfs/dbraw/zinc/86/96/23/584869623.db2.gz PVERPDXNSCTAHL-HUUCEWRRSA-N 3 1 245.370 1.329 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000904350716 584869624 /nfs/dbraw/zinc/86/96/24/584869624.db2.gz PVERPDXNSCTAHL-HUUCEWRRSA-N 3 1 245.370 1.329 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000904356717 584871102 /nfs/dbraw/zinc/87/11/02/584871102.db2.gz YLFVALPOIQRVLH-WDEREUQCSA-N 2 1 234.347 1.578 20 0 BDADMP CC(=O)C1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904385118 584877187 /nfs/dbraw/zinc/87/71/87/584877187.db2.gz SRJAADKHOYMNDE-CQSZACIVSA-N 2 1 238.375 1.677 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405040 584878380 /nfs/dbraw/zinc/87/83/80/584878380.db2.gz HLGDNAKRLXWZID-NSHDSACASA-N 2 1 242.363 1.246 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406275 584878448 /nfs/dbraw/zinc/87/84/48/584878448.db2.gz DRSJHKIMPNWPNL-STQMWFEESA-N 3 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@H](CC[NH3+])C1 ZINC000904406275 584878449 /nfs/dbraw/zinc/87/84/49/584878449.db2.gz DRSJHKIMPNWPNL-STQMWFEESA-N 2 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@H](N)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406275 584878450 /nfs/dbraw/zinc/87/84/50/584878450.db2.gz DRSJHKIMPNWPNL-STQMWFEESA-N 2 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@H](N)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406275 584878451 /nfs/dbraw/zinc/87/84/51/584878451.db2.gz DRSJHKIMPNWPNL-STQMWFEESA-N 2 1 241.423 1.811 20 0 BDADMP CC[C@H]1C[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000904417422 584881728 /nfs/dbraw/zinc/88/17/28/584881728.db2.gz BOSXQUGZEJGJKO-RQJABVFESA-N 2 1 240.391 1.718 20 0 BDADMP c1csc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421041 584881857 /nfs/dbraw/zinc/88/18/57/584881857.db2.gz MHXVVCVVHKMCIT-WDEREUQCSA-N 2 1 222.357 1.789 20 0 BDADMP CCCC[N@@H+](C)CCNc1cc(C)[nH+]c(N)n1 ZINC000732805118 584941315 /nfs/dbraw/zinc/94/13/15/584941315.db2.gz FAGMCQUWIUBEED-UHFFFAOYSA-N 2 1 237.351 1.511 20 0 BDADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[N@@H+](C)C(C)C ZINC000733163711 584943997 /nfs/dbraw/zinc/94/39/97/584943997.db2.gz HGYRTOGXVNSISL-GFCCVEGCSA-N 2 1 243.395 1.029 20 0 BDADMP CC[C@H](NCC[N@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914156 584991351 /nfs/dbraw/zinc/99/13/51/584991351.db2.gz UKRBKMCJWHDPAS-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@@H](NCC[N@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914158 584991354 /nfs/dbraw/zinc/99/13/54/584991354.db2.gz UKRBKMCJWHDPAS-MJBXVCDLSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886839584 585182739 /nfs/dbraw/zinc/18/27/39/585182739.db2.gz HWYKUZDCSAPKRT-XQQFMLRXSA-N 2 1 240.391 1.907 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872233 585186646 /nfs/dbraw/zinc/18/66/46/585186646.db2.gz NDRCXIIROMPVGA-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000749334126 585201457 /nfs/dbraw/zinc/20/14/57/585201457.db2.gz BSWUASVDDULIIS-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000749334126 585201458 /nfs/dbraw/zinc/20/14/58/585201458.db2.gz BSWUASVDDULIIS-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CCc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n[nH]1 ZINC000754792409 585291048 /nfs/dbraw/zinc/29/10/48/585291048.db2.gz BIQFDCHDRGOIGF-OCCSQVGLSA-N 2 1 248.374 1.689 20 0 BDADMP C[C@@H]1C[C@@H](N(C)CC[NH+]2CCCC2)CC[N@H+]1C ZINC000760842852 585399072 /nfs/dbraw/zinc/39/90/72/585399072.db2.gz KTCZTQBGVMOYCD-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CC2OCCO2)C[C@@H]1C ZINC000777596160 585716344 /nfs/dbraw/zinc/71/63/44/585716344.db2.gz KNNPCVULNRWKAV-NWDGAFQWSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000779339788 585751548 /nfs/dbraw/zinc/75/15/48/585751548.db2.gz FCIBATHNCVSOFC-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+](CC[NH2+][C@H](C)CCO)C(C)C ZINC000779399886 585752983 /nfs/dbraw/zinc/75/29/83/585752983.db2.gz LKCUTWDLXSLIHB-LLVKDONJSA-N 2 1 202.342 1.077 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H](C)CCO)C(C)C ZINC000779399886 585752984 /nfs/dbraw/zinc/75/29/84/585752984.db2.gz LKCUTWDLXSLIHB-LLVKDONJSA-N 2 1 202.342 1.077 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CCO ZINC000779398914 585753228 /nfs/dbraw/zinc/75/32/28/585753228.db2.gz IOPAPXPNAKQHOB-NSHDSACASA-N 2 1 202.342 1.079 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CCO ZINC000779398914 585753229 /nfs/dbraw/zinc/75/32/29/585753229.db2.gz IOPAPXPNAKQHOB-NSHDSACASA-N 2 1 202.342 1.079 20 0 BDADMP C[C@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000779406677 585753755 /nfs/dbraw/zinc/75/37/55/585753755.db2.gz XKLOFHMZWKHTNX-ODWCKFRGSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000779406677 585753756 /nfs/dbraw/zinc/75/37/56/585753756.db2.gz XKLOFHMZWKHTNX-ODWCKFRGSA-N 2 1 226.364 1.362 20 0 BDADMP Cc1cc(N2CCC[C@@H](C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000780535518 585780296 /nfs/dbraw/zinc/78/02/96/585780296.db2.gz GYTBRQAHISPUIT-ZDUSSCGKSA-N 2 1 248.374 1.871 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000780566475 585781530 /nfs/dbraw/zinc/78/15/30/585781530.db2.gz FDKNEHOKLOIFRD-ZDUSSCGKSA-N 2 1 247.342 1.930 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH+](C)CC(OC)OC)C[C@@H]1C ZINC000781898110 585804951 /nfs/dbraw/zinc/80/49/51/585804951.db2.gz GUEHDHFKBHOTDQ-RYUDHWBXSA-N 2 1 244.379 1.410 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC(OC)OC)C[C@@H]1C ZINC000781898110 585804952 /nfs/dbraw/zinc/80/49/52/585804952.db2.gz GUEHDHFKBHOTDQ-RYUDHWBXSA-N 2 1 244.379 1.410 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC(OC)OC)C[C@@H]1C ZINC000781898110 585804953 /nfs/dbraw/zinc/80/49/53/585804953.db2.gz GUEHDHFKBHOTDQ-RYUDHWBXSA-N 2 1 244.379 1.410 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(OC)OC)C[C@@H]1C ZINC000781898110 585804954 /nfs/dbraw/zinc/80/49/54/585804954.db2.gz GUEHDHFKBHOTDQ-RYUDHWBXSA-N 2 1 244.379 1.410 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782621519 585823069 /nfs/dbraw/zinc/82/30/69/585823069.db2.gz SQYTWPPSEPWCJY-BFHYXJOUSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782621519 585823070 /nfs/dbraw/zinc/82/30/70/585823070.db2.gz SQYTWPPSEPWCJY-BFHYXJOUSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782621519 585823071 /nfs/dbraw/zinc/82/30/71/585823071.db2.gz SQYTWPPSEPWCJY-BFHYXJOUSA-N 2 1 238.375 1.175 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000783240806 585831829 /nfs/dbraw/zinc/83/18/29/585831829.db2.gz RQVMGUWTCGXSOD-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CCOCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000795084578 586068538 /nfs/dbraw/zinc/06/85/38/586068538.db2.gz DYEYOHYVJLUDTK-ZDUSSCGKSA-N 2 1 249.358 1.629 20 0 BDADMP CC1=CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000797998893 586135498 /nfs/dbraw/zinc/13/54/98/586135498.db2.gz MJGPUUMQFDEVGS-CYBMUJFWSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCCO ZINC000817918836 586831046 /nfs/dbraw/zinc/83/10/46/586831046.db2.gz NPABOHZJMRWLHZ-RYUDHWBXSA-N 2 1 214.353 1.127 20 0 BDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)C1 ZINC000817888101 586832063 /nfs/dbraw/zinc/83/20/63/586832063.db2.gz APGVWMCURJWDGY-AEGPPILISA-N 2 1 247.386 1.239 20 0 BDADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817891822 586832855 /nfs/dbraw/zinc/83/28/55/586832855.db2.gz HOUIESMCOILDPX-BFHYXJOUSA-N 2 1 234.343 1.498 20 0 BDADMP C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000817911439 586838009 /nfs/dbraw/zinc/83/80/09/586838009.db2.gz AMHFYNNTPZYVRA-BPLDGKMQSA-N 2 1 248.370 1.624 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1F ZINC000817927245 586841341 /nfs/dbraw/zinc/84/13/41/586841341.db2.gz HYTRSOZHNGIATR-KOLCDFICSA-N 2 1 223.295 1.438 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC=CO1)[C@H]1CCC[NH2+]1 ZINC000817924772 586841577 /nfs/dbraw/zinc/84/15/77/586841577.db2.gz XOVHSNACCVRKJE-IJLUTSLNSA-N 2 1 210.321 1.409 20 0 BDADMP c1n[nH]c2c1[C@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000817941240 586844953 /nfs/dbraw/zinc/84/49/53/586844953.db2.gz OHIDQWNLQSIFQQ-GFCCVEGCSA-N 2 1 234.347 1.376 20 0 BDADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[NH2+]C1 ZINC000817944807 586846216 /nfs/dbraw/zinc/84/62/16/586846216.db2.gz MSQCMNQZDHEAFE-ZJUUUORDSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000817944804 586846220 /nfs/dbraw/zinc/84/62/20/586846220.db2.gz MSQCMNQZDHEAFE-NXEZZACHSA-N 2 1 216.394 1.858 20 0 BDADMP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000817950816 586846976 /nfs/dbraw/zinc/84/69/76/586846976.db2.gz ZTWYFWOFPITHAW-CHWSQXEVSA-N 2 1 238.375 1.677 20 0 BDADMP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000817950817 586848014 /nfs/dbraw/zinc/84/80/14/586848014.db2.gz ZTWYFWOFPITHAW-OLZOCXBDSA-N 2 1 238.375 1.677 20 0 BDADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC000817969323 586856277 /nfs/dbraw/zinc/85/62/77/586856277.db2.gz BSXLHFGPCFLIGK-GWCFXTLKSA-N 2 1 204.317 1.919 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817970220 586858160 /nfs/dbraw/zinc/85/81/60/586858160.db2.gz ORTWDOVEEALARO-VHSXEESVSA-N 2 1 220.316 1.619 20 0 BDADMP C[N@@H+](CCCC[NH2+]C[C@H](O)C1CC1)C1CC1 ZINC000819363337 586956950 /nfs/dbraw/zinc/95/69/50/586956950.db2.gz VLHRJHYVMQJUSU-ZDUSSCGKSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443940 587497409 /nfs/dbraw/zinc/49/74/09/587497409.db2.gz LWMSCKODYKBFJU-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000830028105 587532552 /nfs/dbraw/zinc/53/25/52/587532552.db2.gz DZMQGRGYRWLYAV-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000840764034 587920404 /nfs/dbraw/zinc/92/04/04/587920404.db2.gz OAUHOBORBKAQTO-BZGXSOKISA-N 2 1 238.375 1.769 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841036702 587937541 /nfs/dbraw/zinc/93/75/41/587937541.db2.gz VWKARXOROYXHMG-OUAUKWLOSA-N 2 1 246.445 1.565 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CCCCCCC[NH3+] ZINC000842473479 588029152 /nfs/dbraw/zinc/02/91/52/588029152.db2.gz VORCUDSSHODZCY-GFCCVEGCSA-N 2 1 216.369 1.598 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCCCCC[NH3+] ZINC000842475747 588029692 /nfs/dbraw/zinc/02/96/92/588029692.db2.gz UFXYOFJVVPSGFR-LBPRGKRZSA-N 3 1 229.412 1.859 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]C1CCC([NH3+])CC1 ZINC000843105176 588081657 /nfs/dbraw/zinc/08/16/57/588081657.db2.gz RMHQIEVNRHXRJC-CXQJBGSLSA-N 2 1 213.369 1.219 20 0 BDADMP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H](C)N1 ZINC000843352152 588102505 /nfs/dbraw/zinc/10/25/05/588102505.db2.gz RFSFDPBESNEKPD-BETUJISGSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]1CN(CCCCCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000843352152 588102506 /nfs/dbraw/zinc/10/25/06/588102506.db2.gz RFSFDPBESNEKPD-BETUJISGSA-N 2 1 227.396 1.578 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)C1CCC([NH3+])CC1 ZINC000843354975 588102952 /nfs/dbraw/zinc/10/29/52/588102952.db2.gz HMBHWGTXQJWXAD-UHFFFAOYSA-N 2 1 233.359 1.971 20 0 BDADMP CCCCOC(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000843356152 588103170 /nfs/dbraw/zinc/10/31/70/588103170.db2.gz RUUGOEXKOFOUSL-ZDUSSCGKSA-N 2 1 242.363 1.437 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843378082 588105586 /nfs/dbraw/zinc/10/55/86/588105586.db2.gz ZBQDXGJVARFLTL-ZIAGYGMSSA-N 3 1 241.423 1.955 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCCCC[NH3+])[C@@H]1CN ZINC000846217428 588260314 /nfs/dbraw/zinc/26/03/14/588260314.db2.gz HJKAKZBOKBPDHZ-QWHCGFSZSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@H]1CCCN(CCCCCC[NH3+])[C@@H]1C[NH3+] ZINC000846217428 588260315 /nfs/dbraw/zinc/26/03/15/588260315.db2.gz HJKAKZBOKBPDHZ-QWHCGFSZSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@H](C)CN1C ZINC000846220323 588261196 /nfs/dbraw/zinc/26/11/96/588261196.db2.gz FZDTWGMQXHDYHB-CHWSQXEVSA-N 2 1 227.396 1.530 20 0 BDADMP COC[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](C)O1 ZINC000846221376 588261446 /nfs/dbraw/zinc/26/14/46/588261446.db2.gz XYJKQAHLMLNVLG-CHWSQXEVSA-N 2 1 244.379 1.241 20 0 BDADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000846227167 588261823 /nfs/dbraw/zinc/26/18/23/588261823.db2.gz HZBLHOVTXCZYMU-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP CCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987006 588425555 /nfs/dbraw/zinc/42/55/55/588425555.db2.gz DOKVTPDBIKHSSY-NEPJUHHUSA-N 2 1 240.395 1.773 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000848987450 588426329 /nfs/dbraw/zinc/42/63/29/588426329.db2.gz YZIUFOGCPNGZHT-SNVBAGLBSA-N 2 1 237.351 1.494 20 0 BDADMP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+](C)C ZINC000848996569 588429047 /nfs/dbraw/zinc/42/90/47/588429047.db2.gz GGSZHHRUFBYPKV-GHMZBOCLSA-N 2 1 226.368 1.193 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996494 588429091 /nfs/dbraw/zinc/42/90/91/588429091.db2.gz ZDMDDJDFTLSFEP-NEPJUHHUSA-N 2 1 240.395 1.629 20 0 BDADMP C[C@H]1CCCN(C(=[NH2+])NCC[N@H+](C)C2CC2)C1 ZINC000848997446 588429361 /nfs/dbraw/zinc/42/93/61/588429361.db2.gz JAIPUQIMPXYYNL-NSHDSACASA-N 2 1 238.379 1.337 20 0 BDADMP C[C@H]1CCCN(C(=[NH2+])NCC[N@@H+](C)C2CC2)C1 ZINC000848997446 588429362 /nfs/dbraw/zinc/42/93/62/588429362.db2.gz JAIPUQIMPXYYNL-NSHDSACASA-N 2 1 238.379 1.337 20 0 BDADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848997550 588429636 /nfs/dbraw/zinc/42/96/36/588429636.db2.gz PEMWBJOJKJWXRT-LLVKDONJSA-N 2 1 238.379 1.385 20 0 BDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N(C)C ZINC000848999142 588430048 /nfs/dbraw/zinc/43/00/48/588430048.db2.gz XAJDMEFLIINYRF-GFCCVEGCSA-N 2 1 240.395 1.727 20 0 BDADMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCCCC1 ZINC000848999886 588430397 /nfs/dbraw/zinc/43/03/97/588430397.db2.gz GGHATTQFJGIRKY-UHFFFAOYSA-N 2 1 235.335 1.202 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849000906 588430796 /nfs/dbraw/zinc/43/07/96/588430796.db2.gz CUORYJFEDKZENC-SNVBAGLBSA-N 2 1 226.368 1.383 20 0 BDADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000849004374 588431588 /nfs/dbraw/zinc/43/15/88/588431588.db2.gz OCRAOSSOARILLG-GFCCVEGCSA-N 2 1 246.358 1.965 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004257 588431623 /nfs/dbraw/zinc/43/16/23/588431623.db2.gz JQXRNHFKZYNXCJ-GHMZBOCLSA-N 2 1 226.368 1.241 20 0 BDADMP CCCCNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004255 588431631 /nfs/dbraw/zinc/43/16/31/588431631.db2.gz JPTUGZBPANBPCC-LLVKDONJSA-N 2 1 226.368 1.242 20 0 BDADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])NC1CC1 ZINC000849039153 588446638 /nfs/dbraw/zinc/44/66/38/588446638.db2.gz KNYOXZOYMNVWAW-UHFFFAOYSA-N 2 1 224.352 1.137 20 0 BDADMP C[N@@H+](CCCCNC(=[NH2+])NC1CCC1)C1CC1 ZINC000849039730 588447129 /nfs/dbraw/zinc/44/71/29/588447129.db2.gz PFDHLCIWYPADCI-UHFFFAOYSA-N 2 1 238.379 1.527 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000851781868 588627786 /nfs/dbraw/zinc/62/77/86/588627786.db2.gz HCNCGPOBAKHPQP-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000851781868 588627787 /nfs/dbraw/zinc/62/77/87/588627787.db2.gz HCNCGPOBAKHPQP-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000851781868 588627788 /nfs/dbraw/zinc/62/77/88/588627788.db2.gz HCNCGPOBAKHPQP-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000851781868 588627789 /nfs/dbraw/zinc/62/77/89/588627789.db2.gz HCNCGPOBAKHPQP-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CCCN(CC[NH+]2CCCC2)[C@H](C)C1 ZINC000852165965 588668861 /nfs/dbraw/zinc/66/88/61/588668861.db2.gz NPJVCJHOCIGVDH-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)nc(C)n1 ZINC000852743667 588698604 /nfs/dbraw/zinc/69/86/04/588698604.db2.gz HJEDGODZPWLFAR-GFCCVEGCSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)nc(C)n1 ZINC000852743667 588698605 /nfs/dbraw/zinc/69/86/05/588698605.db2.gz HJEDGODZPWLFAR-GFCCVEGCSA-N 2 1 234.347 1.264 20 0 BDADMP C[N@@H+](CCOC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000852746116 588699150 /nfs/dbraw/zinc/69/91/50/588699150.db2.gz DSRDUZUIVHMFPG-ULKQDVFKSA-N 2 1 234.290 1.440 20 0 BDADMP COC(=O)[C@]1(F)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000852753986 588700736 /nfs/dbraw/zinc/70/07/36/588700736.db2.gz WYSMBJVVQDOIHM-LBPRGKRZSA-N 2 1 246.326 1.093 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CCCOC1 ZINC000863482871 589292671 /nfs/dbraw/zinc/29/26/71/589292671.db2.gz MJZZRULJXRPQPR-WDEREUQCSA-N 2 1 210.321 1.040 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000863539549 589295507 /nfs/dbraw/zinc/29/55/07/589295507.db2.gz DZXXVLIUFHQNGS-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@H]1C[C@H](C[N@@H+](C)CCOCC[NH3+])CCO1 ZINC000863652173 589307663 /nfs/dbraw/zinc/30/76/63/589307663.db2.gz PGKHRXOXIOEBCX-OLZOCXBDSA-N 2 1 244.379 1.099 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864457117 589367398 /nfs/dbraw/zinc/36/73/98/589367398.db2.gz PBJLVKUSOYVWMI-WDEREUQCSA-N 2 1 226.368 1.241 20 0 BDADMP CC[C@H]1CCN(C(=[NH2+])NCC2([NH+](C)C)CC2)C1 ZINC000864468434 589372519 /nfs/dbraw/zinc/37/25/19/589372519.db2.gz FCYLGFUSROYGTA-NSHDSACASA-N 2 1 238.379 1.337 20 0 BDADMP Cc1cccc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866206870 589480212 /nfs/dbraw/zinc/48/02/12/589480212.db2.gz UGLUJEYLIKBMPM-QWHCGFSZSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cccc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866206870 589480213 /nfs/dbraw/zinc/48/02/13/589480213.db2.gz UGLUJEYLIKBMPM-QWHCGFSZSA-N 2 1 231.343 1.920 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](CCCCCC[NH3+])C1 ZINC000866671040 589510782 /nfs/dbraw/zinc/51/07/82/589510782.db2.gz JKNHGWLNUFDUGW-CYBMUJFWSA-N 2 1 227.396 1.709 20 0 BDADMP [NH3+]CCCCCCN1CCCCC[C@@H]([NH3+])C1 ZINC000866671040 589510784 /nfs/dbraw/zinc/51/07/84/589510784.db2.gz JKNHGWLNUFDUGW-CYBMUJFWSA-N 2 1 227.396 1.709 20 0 BDADMP CC(=O)Nc1cccc2c1C[N@H+](CCC[NH3+])CC2 ZINC000866683121 589511398 /nfs/dbraw/zinc/51/13/98/589511398.db2.gz APYPQDJPVPMDSK-UHFFFAOYSA-N 2 1 247.342 1.352 20 0 BDADMP CC(=O)Nc1cccc2c1C[N@@H+](CCC[NH3+])CC2 ZINC000866683121 589511400 /nfs/dbraw/zinc/51/14/00/589511400.db2.gz APYPQDJPVPMDSK-UHFFFAOYSA-N 2 1 247.342 1.352 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703718 589513936 /nfs/dbraw/zinc/51/39/36/589513936.db2.gz KTYGXBKQAHCKKH-UKRRQHHQSA-N 2 1 245.370 1.795 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703718 589513938 /nfs/dbraw/zinc/51/39/38/589513938.db2.gz KTYGXBKQAHCKKH-UKRRQHHQSA-N 2 1 245.370 1.795 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703718 589513940 /nfs/dbraw/zinc/51/39/40/589513940.db2.gz KTYGXBKQAHCKKH-UKRRQHHQSA-N 2 1 245.370 1.795 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000866703404 589514036 /nfs/dbraw/zinc/51/40/36/589514036.db2.gz MAJZKFMVBNMIJJ-CYBMUJFWSA-N 2 1 240.391 1.469 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866717596 589514175 /nfs/dbraw/zinc/51/41/75/589514175.db2.gz JSGPOGINVZUTPA-UWVGGRQHSA-N 2 1 234.290 1.300 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866717596 589514176 /nfs/dbraw/zinc/51/41/76/589514176.db2.gz JSGPOGINVZUTPA-UWVGGRQHSA-N 2 1 234.290 1.300 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccno2)C1 ZINC000866705917 589514619 /nfs/dbraw/zinc/51/46/19/589514619.db2.gz JJLCUQXZQMJPBT-CYBMUJFWSA-N 2 1 237.347 1.872 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccno2)C1 ZINC000866705917 589514621 /nfs/dbraw/zinc/51/46/21/589514621.db2.gz JJLCUQXZQMJPBT-CYBMUJFWSA-N 2 1 237.347 1.872 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141869 589882462 /nfs/dbraw/zinc/88/24/62/589882462.db2.gz XJHWUSKGPVEATO-CHWSQXEVSA-N 2 1 238.375 1.616 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000872146247 589884664 /nfs/dbraw/zinc/88/46/64/589884664.db2.gz IZEVMYWIVFLSIW-OAHLLOKOSA-N 2 1 230.355 1.925 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000872146246 589884918 /nfs/dbraw/zinc/88/49/18/589884918.db2.gz IZEVMYWIVFLSIW-HNNXBMFYSA-N 2 1 230.355 1.925 20 0 BDADMP FC(F)[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000872146166 589885130 /nfs/dbraw/zinc/88/51/30/589885130.db2.gz HIFNQVUQLAZDCP-MNOVXSKESA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000872146166 589885132 /nfs/dbraw/zinc/88/51/32/589885132.db2.gz HIFNQVUQLAZDCP-MNOVXSKESA-N 2 1 248.317 1.342 20 0 BDADMP COCC1([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000872157083 589885829 /nfs/dbraw/zinc/88/58/29/589885829.db2.gz ISACZLAHGARBIQ-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1nnc([C@@H](C)[N@H+](C)CCCCCC[NH3+])[nH]1 ZINC000872155714 589886354 /nfs/dbraw/zinc/88/63/54/589886354.db2.gz UBHKGYIFQWRSIN-SNVBAGLBSA-N 2 1 239.367 1.625 20 0 BDADMP Cc1nnc([C@@H](C)[N@@H+](C)CCCCCC[NH3+])[nH]1 ZINC000872155714 589886356 /nfs/dbraw/zinc/88/63/56/589886356.db2.gz UBHKGYIFQWRSIN-SNVBAGLBSA-N 2 1 239.367 1.625 20 0 BDADMP Cc1nnc([C@H](C)[N@H+](C)CCCCCC[NH3+])[nH]1 ZINC000872155713 589886510 /nfs/dbraw/zinc/88/65/10/589886510.db2.gz UBHKGYIFQWRSIN-JTQLQIEISA-N 2 1 239.367 1.625 20 0 BDADMP Cc1nnc([C@H](C)[N@@H+](C)CCCCCC[NH3+])[nH]1 ZINC000872155713 589886511 /nfs/dbraw/zinc/88/65/11/589886511.db2.gz UBHKGYIFQWRSIN-JTQLQIEISA-N 2 1 239.367 1.625 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254226 589901534 /nfs/dbraw/zinc/90/15/34/589901534.db2.gz WXRYPDFWUCRLOA-CHWSQXEVSA-N 3 1 241.423 1.694 20 0 BDADMP CCCNc1cc(N[C@@H](C)[C@@H](C)[NH3+])nc[nH+]1 ZINC000872776441 589968134 /nfs/dbraw/zinc/96/81/34/589968134.db2.gz JSEKFEIKIHPWDN-BDAKNGLRSA-N 2 1 223.324 1.446 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873228597 590001049 /nfs/dbraw/zinc/00/10/49/590001049.db2.gz HGVAXILYMIVPJP-QWHCGFSZSA-N 2 1 219.332 1.066 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873228597 590001052 /nfs/dbraw/zinc/00/10/52/590001052.db2.gz HGVAXILYMIVPJP-QWHCGFSZSA-N 2 1 219.332 1.066 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236501 590004392 /nfs/dbraw/zinc/00/43/92/590004392.db2.gz HQJXQJQZMGALTL-JHJVBQTASA-N 2 1 240.391 1.779 20 0 BDADMP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000873255810 590011006 /nfs/dbraw/zinc/01/10/06/590011006.db2.gz IIROGXNOHVCPRI-QXEWZRGKSA-N 2 1 220.320 1.114 20 0 BDADMP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1c[nH+]ccc1N ZINC000873268938 590015430 /nfs/dbraw/zinc/01/54/30/590015430.db2.gz BDMPVJPBQGBFRP-GHMZBOCLSA-N 3 1 248.374 1.533 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCc2[nH]ncc21)C1CC[NH2+]CC1 ZINC000873269123 590015495 /nfs/dbraw/zinc/01/54/95/590015495.db2.gz MHBDDXCAKABJDP-ZWNOBZJWSA-N 2 1 248.374 1.765 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)C1CC[NH2+]CC1 ZINC000873271831 590015894 /nfs/dbraw/zinc/01/58/94/590015894.db2.gz MHBDDXCAKABJDP-GWCFXTLKSA-N 2 1 248.374 1.765 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000020473631 590115715 /nfs/dbraw/zinc/11/57/15/590115715.db2.gz RCWSKJYCMLIVIN-LLVKDONJSA-N 2 1 208.280 1.606 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739247 590406043 /nfs/dbraw/zinc/40/60/43/590406043.db2.gz FTLHRMAQHDQCQG-YVECIDJPSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739247 590406045 /nfs/dbraw/zinc/40/60/45/590406045.db2.gz FTLHRMAQHDQCQG-YVECIDJPSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739247 590406047 /nfs/dbraw/zinc/40/60/47/590406047.db2.gz FTLHRMAQHDQCQG-YVECIDJPSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877739247 590406049 /nfs/dbraw/zinc/40/60/49/590406049.db2.gz FTLHRMAQHDQCQG-YVECIDJPSA-N 2 1 208.349 1.668 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740199 590406380 /nfs/dbraw/zinc/40/63/80/590406380.db2.gz IZOTUOQDRZLJHV-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740199 590406382 /nfs/dbraw/zinc/40/63/82/590406382.db2.gz IZOTUOQDRZLJHV-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740199 590406383 /nfs/dbraw/zinc/40/63/83/590406383.db2.gz IZOTUOQDRZLJHV-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740199 590406385 /nfs/dbraw/zinc/40/63/85/590406385.db2.gz IZOTUOQDRZLJHV-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877741282 590407973 /nfs/dbraw/zinc/40/79/73/590407973.db2.gz MKAOZVTZYPZFLU-UTUOFQBUSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877741282 590407974 /nfs/dbraw/zinc/40/79/74/590407974.db2.gz MKAOZVTZYPZFLU-UTUOFQBUSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877741282 590407975 /nfs/dbraw/zinc/40/79/75/590407975.db2.gz MKAOZVTZYPZFLU-UTUOFQBUSA-N 2 1 212.337 1.047 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC[C@H]3CCO3)CC[C@@H]21 ZINC000877743396 590412179 /nfs/dbraw/zinc/41/21/79/590412179.db2.gz VNGSHUOCCILWMH-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC[C@H]3CCO3)CC[C@@H]21 ZINC000877743396 590412180 /nfs/dbraw/zinc/41/21/80/590412180.db2.gz VNGSHUOCCILWMH-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC[C@H]3CCO3)CC[C@@H]21 ZINC000877743396 590412182 /nfs/dbraw/zinc/41/21/82/590412182.db2.gz VNGSHUOCCILWMH-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC[C@H]3CCO3)CC[C@@H]21 ZINC000877743396 590412184 /nfs/dbraw/zinc/41/21/84/590412184.db2.gz VNGSHUOCCILWMH-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP CSCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571075 590810976 /nfs/dbraw/zinc/81/09/76/590810976.db2.gz HOCVCBOKJNQUPC-GHMZBOCLSA-N 2 1 214.378 1.375 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570791 590808699 /nfs/dbraw/zinc/80/86/99/590808699.db2.gz FTVMTJHFUJUMPN-XJFOESAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570791 590808702 /nfs/dbraw/zinc/80/87/02/590808702.db2.gz FTVMTJHFUJUMPN-XJFOESAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570791 590808705 /nfs/dbraw/zinc/80/87/05/590808705.db2.gz FTVMTJHFUJUMPN-XJFOESAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCO)CC[C@@H]21 ZINC000879571904 590808864 /nfs/dbraw/zinc/80/88/64/590808864.db2.gz TYLBNRUCZMKQRK-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCO)CC[C@@H]21 ZINC000879571904 590808865 /nfs/dbraw/zinc/80/88/65/590808865.db2.gz TYLBNRUCZMKQRK-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCO)CC[C@@H]21 ZINC000879571904 590808868 /nfs/dbraw/zinc/80/88/68/590808868.db2.gz TYLBNRUCZMKQRK-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCO)CC[C@@H]21 ZINC000879571904 590808871 /nfs/dbraw/zinc/80/88/71/590808871.db2.gz TYLBNRUCZMKQRK-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CSCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571075 590810966 /nfs/dbraw/zinc/81/09/66/590810966.db2.gz HOCVCBOKJNQUPC-GHMZBOCLSA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571075 590810969 /nfs/dbraw/zinc/81/09/69/590810969.db2.gz HOCVCBOKJNQUPC-GHMZBOCLSA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571075 590810973 /nfs/dbraw/zinc/81/09/73/590810973.db2.gz HOCVCBOKJNQUPC-GHMZBOCLSA-N 2 1 214.378 1.375 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCO)CC[C@H]21 ZINC000879571901 590811686 /nfs/dbraw/zinc/81/16/86/590811686.db2.gz TYLBNRUCZMKQRK-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCO)CC[C@H]21 ZINC000879571901 590811687 /nfs/dbraw/zinc/81/16/87/590811687.db2.gz TYLBNRUCZMKQRK-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCO)CC[C@H]21 ZINC000879571901 590811689 /nfs/dbraw/zinc/81/16/89/590811689.db2.gz TYLBNRUCZMKQRK-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCO)CC[C@H]21 ZINC000879571901 590811691 /nfs/dbraw/zinc/81/16/91/590811691.db2.gz TYLBNRUCZMKQRK-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP COC(CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879578190 590813125 /nfs/dbraw/zinc/81/31/25/590813125.db2.gz BSXFFIHMSLVRGP-NEPJUHHUSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879578190 590813127 /nfs/dbraw/zinc/81/31/27/590813127.db2.gz BSXFFIHMSLVRGP-NEPJUHHUSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000879578190 590813130 /nfs/dbraw/zinc/81/31/30/590813130.db2.gz BSXFFIHMSLVRGP-NEPJUHHUSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000879578190 590813132 /nfs/dbraw/zinc/81/31/32/590813132.db2.gz BSXFFIHMSLVRGP-NEPJUHHUSA-N 2 1 242.363 1.021 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CC=CC3)CC[C@H]21 ZINC000879578303 590813977 /nfs/dbraw/zinc/81/39/77/590813977.db2.gz CVYYOUQFEYBAKI-UONOGXRCSA-N 2 1 220.360 1.979 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3CC=CC3)CC[C@H]21 ZINC000879578303 590813980 /nfs/dbraw/zinc/81/39/80/590813980.db2.gz CVYYOUQFEYBAKI-UONOGXRCSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3CC=CC3)CC[C@H]21 ZINC000879578303 590813984 /nfs/dbraw/zinc/81/39/84/590813984.db2.gz CVYYOUQFEYBAKI-UONOGXRCSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CC=CC3)CC[C@H]21 ZINC000879578303 590813985 /nfs/dbraw/zinc/81/39/85/590813985.db2.gz CVYYOUQFEYBAKI-UONOGXRCSA-N 2 1 220.360 1.979 20 0 BDADMP COCCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573786 590814626 /nfs/dbraw/zinc/81/46/26/590814626.db2.gz RKOMFAXVWLNZRK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573786 590814628 /nfs/dbraw/zinc/81/46/28/590814628.db2.gz RKOMFAXVWLNZRK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573786 590814630 /nfs/dbraw/zinc/81/46/30/590814630.db2.gz RKOMFAXVWLNZRK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573786 590814632 /nfs/dbraw/zinc/81/46/32/590814632.db2.gz RKOMFAXVWLNZRK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCO3)CC[C@@H]21 ZINC000879579780 590817149 /nfs/dbraw/zinc/81/71/49/590817149.db2.gz AYCMLGQRPYVNOL-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCO3)CC[C@@H]21 ZINC000879579780 590817150 /nfs/dbraw/zinc/81/71/50/590817150.db2.gz AYCMLGQRPYVNOL-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)CC[C@@H]21 ZINC000879579780 590817153 /nfs/dbraw/zinc/81/71/53/590817153.db2.gz AYCMLGQRPYVNOL-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)CC[C@@H]21 ZINC000879579780 590817155 /nfs/dbraw/zinc/81/71/55/590817155.db2.gz AYCMLGQRPYVNOL-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)C[N@@H+](C[C@H](C)O)CC1CC[NH+](C)CC1 ZINC000879703670 590846823 /nfs/dbraw/zinc/84/68/23/590846823.db2.gz SKGMYDNEMQMIGP-ZDUSSCGKSA-N 2 1 242.407 1.667 20 0 BDADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CC1(C)COC1 ZINC000880130032 590931146 /nfs/dbraw/zinc/93/11/46/590931146.db2.gz BSDAQRQNMLXTCM-RYUDHWBXSA-N 2 1 224.348 1.191 20 0 BDADMP FC[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880298863 590992409 /nfs/dbraw/zinc/99/24/09/590992409.db2.gz LNROPGLYCIQGGF-BETUJISGSA-N 2 1 246.345 1.959 20 0 BDADMP FC[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](CF)C2)C1 ZINC000880298863 590992413 /nfs/dbraw/zinc/99/24/13/590992413.db2.gz LNROPGLYCIQGGF-BETUJISGSA-N 2 1 246.345 1.959 20 0 BDADMP FC[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](CF)C2)C1 ZINC000880298863 590992415 /nfs/dbraw/zinc/99/24/15/590992415.db2.gz LNROPGLYCIQGGF-BETUJISGSA-N 2 1 246.345 1.959 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880504360 591078482 /nfs/dbraw/zinc/07/84/82/591078482.db2.gz WCYWCFJOBXUQKL-KGLIPLIRSA-N 2 1 249.358 1.883 20 0 BDADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1C1CC1 ZINC000882958634 591483881 /nfs/dbraw/zinc/48/38/81/591483881.db2.gz GIGMDBPEVYSDJH-GFCCVEGCSA-N 2 1 231.343 1.887 20 0 BDADMP Cn1cncc1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000883428185 591660039 /nfs/dbraw/zinc/66/00/39/591660039.db2.gz NOZFABQDYABUOP-AWEZNQCLSA-N 2 1 248.374 1.038 20 0 BDADMP Cn1c[nH+]cc1CCN1CC[NH2+]CCC1(C)C ZINC000883439562 591668761 /nfs/dbraw/zinc/66/87/61/591668761.db2.gz VIFWTVHFBXUXQI-UHFFFAOYSA-N 2 1 236.363 1.037 20 0 BDADMP Cn1cncc1CC[N@@H+](C)CCCCCC[NH3+] ZINC000883440850 591668873 /nfs/dbraw/zinc/66/88/73/591668873.db2.gz BAESFGZFHZETLQ-UHFFFAOYSA-N 2 1 238.379 1.414 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2cccc(Cl)n2)C[C@@H]1[NH3+] ZINC000883442653 591670098 /nfs/dbraw/zinc/67/00/98/591670098.db2.gz PPYUCSMWJURXDX-VHSXEESVSA-N 2 1 239.750 1.950 20 0 BDADMP CSCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000134035999 591875678 /nfs/dbraw/zinc/87/56/78/591875678.db2.gz ITFYPRSJFMJOQO-SNVBAGLBSA-N 2 1 216.394 1.812 20 0 BDADMP CC(C)[C@H]([NH2+]CCC[NH+](C)C)c1cnn(C)c1 ZINC000886489515 592234158 /nfs/dbraw/zinc/23/41/58/592234158.db2.gz KNHPOZBPKAIJCX-ZDUSSCGKSA-N 2 1 238.379 1.659 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1C[NH3+] ZINC000886840343 592359766 /nfs/dbraw/zinc/35/97/66/592359766.db2.gz ZMGWDPQWFMAMKV-MQYQWHSLSA-N 2 1 238.375 1.330 20 0 BDADMP CCOCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865320 592374197 /nfs/dbraw/zinc/37/41/97/592374197.db2.gz HHMLNJYWSIMMKS-ZDUSSCGKSA-N 2 1 226.364 1.489 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865847 592374435 /nfs/dbraw/zinc/37/44/35/592374435.db2.gz WJDTUESFLMHZHP-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865847 592374439 /nfs/dbraw/zinc/37/44/39/592374439.db2.gz WJDTUESFLMHZHP-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872477 592377754 /nfs/dbraw/zinc/37/77/54/592377754.db2.gz SYQZLIMOVJOACB-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000220959011 592380164 /nfs/dbraw/zinc/38/01/64/592380164.db2.gz BRYMXAAMAAUUIW-HZSPNIEDSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000220959011 592380169 /nfs/dbraw/zinc/38/01/69/592380169.db2.gz BRYMXAAMAAUUIW-HZSPNIEDSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000220959011 592380172 /nfs/dbraw/zinc/38/01/72/592380172.db2.gz BRYMXAAMAAUUIW-HZSPNIEDSA-N 2 1 238.375 1.173 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134853 592450077 /nfs/dbraw/zinc/45/00/77/592450077.db2.gz RCQFNHRNXSUIBW-QWHCGFSZSA-N 2 1 249.358 1.363 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NC(C)(C)C ZINC000221874984 592455215 /nfs/dbraw/zinc/45/52/15/592455215.db2.gz NPEFIFNKULZSPU-UHFFFAOYSA-N 2 1 228.384 1.629 20 0 BDADMP CCCNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000221874829 592455825 /nfs/dbraw/zinc/45/58/25/592455825.db2.gz ZYLXGGXQXCOURR-UHFFFAOYSA-N 2 1 214.357 1.241 20 0 BDADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])NCC1CC1 ZINC000887361736 592490775 /nfs/dbraw/zinc/49/07/75/592490775.db2.gz IAAHDYVPBDJYOH-UHFFFAOYSA-N 2 1 238.379 1.385 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925703379 634380344 /nfs/dbraw/zinc/38/03/44/634380344.db2.gz DKCSTZNLFALUBQ-XQHKEYJVSA-N 2 1 237.391 1.105 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000299917349 634402667 /nfs/dbraw/zinc/40/26/67/634402667.db2.gz UBUYTTRFZILUEK-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CO1 ZINC000925714448 634427051 /nfs/dbraw/zinc/42/70/51/634427051.db2.gz YTEGEGNMUFNZQK-UTUOFQBUSA-N 2 1 224.348 1.428 20 0 BDADMP C[C@@H]([NH3+])[C@@H](NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000925716567 634446370 /nfs/dbraw/zinc/44/63/70/634446370.db2.gz AACJZCUQYCLISH-VHDGCEQUSA-N 2 1 247.386 1.759 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000257684602 634463120 /nfs/dbraw/zinc/46/31/20/634463120.db2.gz LWOOYBWAAQOXBP-CQSZACIVSA-N 2 1 249.358 1.867 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000257684602 634463130 /nfs/dbraw/zinc/46/31/30/634463130.db2.gz LWOOYBWAAQOXBP-CQSZACIVSA-N 2 1 249.358 1.867 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000253179353 634516239 /nfs/dbraw/zinc/51/62/39/634516239.db2.gz CUAWNJXQLKRCRC-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CC[NH2+]CC1 ZINC000925728434 634529274 /nfs/dbraw/zinc/52/92/74/634529274.db2.gz VDQBRIGLPZNCIK-MDZLAQPJSA-N 3 1 225.380 1.105 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000310112119 634540392 /nfs/dbraw/zinc/54/03/92/634540392.db2.gz ATLNQEFCEUBUQM-MRVWCRGKSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000925874869 635596655 /nfs/dbraw/zinc/59/66/55/635596655.db2.gz WBFYPQQYLVUMKE-UWVGGRQHSA-N 2 1 236.363 1.513 20 0 BDADMP CC(C)([NH3+])C[NH2+]C[C@@H](O)c1ccsc1 ZINC000308696941 631520648 /nfs/dbraw/zinc/52/06/48/631520648.db2.gz TXDMZMKKNURRJB-SECBINFHSA-N 2 1 214.334 1.108 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccccn3)C[C@]2(C)C1 ZINC000933733649 631495315 /nfs/dbraw/zinc/49/53/15/631495315.db2.gz HKFJIBACBSROAB-HIFRSBDPSA-N 2 1 245.370 1.508 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccccn3)C[C@]2(C)C1 ZINC000933733649 631495324 /nfs/dbraw/zinc/49/53/24/631495324.db2.gz HKFJIBACBSROAB-HIFRSBDPSA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccccn3)C[C@]2(C)C1 ZINC000933733649 631495333 /nfs/dbraw/zinc/49/53/33/631495333.db2.gz HKFJIBACBSROAB-HIFRSBDPSA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccccn3)C[C@]2(C)C1 ZINC000933733649 631495336 /nfs/dbraw/zinc/49/53/36/631495336.db2.gz HKFJIBACBSROAB-HIFRSBDPSA-N 2 1 245.370 1.508 20 0 BDADMP CO[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC000893899531 635634735 /nfs/dbraw/zinc/63/47/35/635634735.db2.gz CUMCUJJSPBGXBU-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C(C)(C)CO ZINC000924874508 635687714 /nfs/dbraw/zinc/68/77/14/635687714.db2.gz SNCBTXPNIVGMNS-SNVBAGLBSA-N 2 1 225.336 1.188 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)CO ZINC000926415853 631923390 /nfs/dbraw/zinc/92/33/90/631923390.db2.gz CTMUWANVNGLOAH-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)CO ZINC000926415853 631923396 /nfs/dbraw/zinc/92/33/96/631923396.db2.gz CTMUWANVNGLOAH-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP OCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309251976 631981373 /nfs/dbraw/zinc/98/13/73/631981373.db2.gz FFHAXUJTUWOQAV-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000235365208 632027021 /nfs/dbraw/zinc/02/70/21/632027021.db2.gz OMLAMBOTMLBEOH-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000250605695 635699508 /nfs/dbraw/zinc/69/95/08/635699508.db2.gz LEPJDCJKGYXEEW-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CCSCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000158583867 632476809 /nfs/dbraw/zinc/47/68/09/632476809.db2.gz AELYHBNPLFGPTC-UHFFFAOYSA-N 2 1 216.394 1.941 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](N(C)C)C2)CC[NH2+]1 ZINC000235368227 632680580 /nfs/dbraw/zinc/68/05/80/632680580.db2.gz BCMKPXANTOKINI-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H](CN2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000235368227 632680582 /nfs/dbraw/zinc/68/05/82/632680582.db2.gz BCMKPXANTOKINI-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000310064663 632697240 /nfs/dbraw/zinc/69/72/40/632697240.db2.gz OZNOFEVCEPWIHF-JWURUJNWSA-N 2 1 238.375 1.626 20 0 BDADMP CC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000310114660 632702239 /nfs/dbraw/zinc/70/22/39/632702239.db2.gz GRFZBRNIWJILPW-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC000310114660 632702244 /nfs/dbraw/zinc/70/22/44/632702244.db2.gz GRFZBRNIWJILPW-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCCCCC[NH3+] ZINC000310182600 632706844 /nfs/dbraw/zinc/70/68/44/632706844.db2.gz WSLNZONMQZWKOC-RYUDHWBXSA-N 2 1 241.379 1.091 20 0 BDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(NC)=[NH+]C ZINC000066245828 632861041 /nfs/dbraw/zinc/86/10/41/632861041.db2.gz TYSPCZOHENPYQX-GFCCVEGCSA-N 2 1 240.395 1.436 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)c1cc[nH+]cc1CO ZINC000126533735 635851457 /nfs/dbraw/zinc/85/14/57/635851457.db2.gz VIKTYOLXVNNTAF-GFCCVEGCSA-N 2 1 235.331 1.104 20 0 BDADMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000335600207 635883851 /nfs/dbraw/zinc/88/38/51/635883851.db2.gz WCUNNTOAGBUEOT-VIFPVBQESA-N 2 1 208.309 1.114 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nccn1C ZINC000665282726 636103048 /nfs/dbraw/zinc/10/30/48/636103048.db2.gz ALBODNKLNUBFJG-LPEHRKFASA-N 2 1 210.325 1.197 20 0 BDADMP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1CCCCO1 ZINC000328563299 633776692 /nfs/dbraw/zinc/77/66/92/633776692.db2.gz JBQVDFFLZHYYCG-VPCRRHSYSA-N 2 1 236.359 1.142 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@H](NCC[NH+]2CCCC2)C1 ZINC000925509290 633846434 /nfs/dbraw/zinc/84/64/34/633846434.db2.gz NCWUMTLUNYWNKR-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925543788 633969478 /nfs/dbraw/zinc/96/94/78/633969478.db2.gz WITHTPYESNLXDA-OCCSQVGLSA-N 2 1 245.370 1.887 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000895442712 636145362 /nfs/dbraw/zinc/14/53/62/636145362.db2.gz KIIUVAXSUPZHNS-UONOGXRCSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925550454 633994943 /nfs/dbraw/zinc/99/49/43/633994943.db2.gz MPVBHHYCGLSLAZ-QWHCGFSZSA-N 2 1 239.407 1.591 20 0 BDADMP CCCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309983042 634025438 /nfs/dbraw/zinc/02/54/38/634025438.db2.gz POFLFVSQWZMUFE-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CCCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309983042 634025441 /nfs/dbraw/zinc/02/54/41/634025441.db2.gz POFLFVSQWZMUFE-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1noc(CCC[NH2+][C@H]2CCC[NH2+][C@H]2C)n1 ZINC000925591957 634106181 /nfs/dbraw/zinc/10/61/81/634106181.db2.gz DXCXECPNPYZDQQ-ONGXEEELSA-N 2 1 238.335 1.041 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925611123 634150290 /nfs/dbraw/zinc/15/02/90/634150290.db2.gz KIPBZLOMYFYFBO-RYUDHWBXSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925614659 634156887 /nfs/dbraw/zinc/15/68/87/634156887.db2.gz ZQYFRIDINLFBTN-JQWIXIFHSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)(C)C[C@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925616986 634163438 /nfs/dbraw/zinc/16/34/38/634163438.db2.gz OZAXQFIEPPHMER-NEPJUHHUSA-N 2 1 240.391 1.658 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n[nH]1 ZINC000925619548 634175504 /nfs/dbraw/zinc/17/55/04/634175504.db2.gz OVRDUQVKTNYJCG-XDTLVQLUSA-N 2 1 248.374 1.509 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925675250 634261847 /nfs/dbraw/zinc/26/18/47/634261847.db2.gz MPAQEFNXKPKYSG-QWRGUYRKSA-N 2 1 212.337 1.142 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925678541 634274459 /nfs/dbraw/zinc/27/44/59/634274459.db2.gz FRWQTWXQQKFBBD-NEPJUHHUSA-N 2 1 226.364 1.676 20 0 BDADMP C[NH2+]CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925687761 634304830 /nfs/dbraw/zinc/30/48/30/634304830.db2.gz AVYINTQJRMJZIS-KBPBESRZSA-N 3 1 239.407 1.354 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)[NH2+]2 ZINC000925693259 634327219 /nfs/dbraw/zinc/32/72/19/634327219.db2.gz QWGRMAMMBJBRNT-JXCADXASSA-N 3 1 249.402 1.388 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925701881 634376331 /nfs/dbraw/zinc/37/63/31/634376331.db2.gz HNPXEBAEPNNNBU-JHJVBQTASA-N 2 1 238.375 1.818 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCc1ccccc1F ZINC000258685773 635187884 /nfs/dbraw/zinc/18/78/84/635187884.db2.gz FGCOOTQGJXHMQQ-UHFFFAOYSA-N 2 1 224.323 1.910 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1ccccc1F ZINC000258685773 635187886 /nfs/dbraw/zinc/18/78/86/635187886.db2.gz FGCOOTQGJXHMQQ-UHFFFAOYSA-N 2 1 224.323 1.910 20 0 BDADMP C[C@H]1[C@@H](CO)CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894939427 636009730 /nfs/dbraw/zinc/00/97/30/636009730.db2.gz KOCNALOUFCNCJE-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243839 636245203 /nfs/dbraw/zinc/24/52/03/636245203.db2.gz IEWPMPVMNYQKGQ-ZDUSSCGKSA-N 3 1 241.423 1.648 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH3+])Cc2ccccc21 ZINC000082791066 636447416 /nfs/dbraw/zinc/44/74/16/636447416.db2.gz KUENAXTYIDPLEB-NSHDSACASA-N 2 1 204.317 1.955 20 0 BDADMP C[C@H]1COCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251669669 636764043 /nfs/dbraw/zinc/76/40/43/636764043.db2.gz HHLJACIXQWRZSB-FUDCBSFHSA-N 2 1 238.375 1.628 20 0 BDADMP COC(OC)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000079645400 636859853 /nfs/dbraw/zinc/85/98/53/636859853.db2.gz YCPVSFTUHRSPES-LLVKDONJSA-N 2 1 244.379 1.456 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704482 636933476 /nfs/dbraw/zinc/93/34/76/636933476.db2.gz VQLDGESQWHWNFG-MJBXVCDLSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704482 636933482 /nfs/dbraw/zinc/93/34/82/636933482.db2.gz VQLDGESQWHWNFG-MJBXVCDLSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704482 636933486 /nfs/dbraw/zinc/93/34/86/636933486.db2.gz VQLDGESQWHWNFG-MJBXVCDLSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704482 636933492 /nfs/dbraw/zinc/93/34/92/636933492.db2.gz VQLDGESQWHWNFG-MJBXVCDLSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704482 636933497 /nfs/dbraw/zinc/93/34/97/636933497.db2.gz VQLDGESQWHWNFG-MJBXVCDLSA-N 3 1 237.391 1.012 20 0 BDADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([NH3+])C2)c1C ZINC000041029944 636952726 /nfs/dbraw/zinc/95/27/26/636952726.db2.gz HVEGAEWZTQTSCO-LBPRGKRZSA-N 2 1 249.358 1.630 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCSC1)C[NH+](C)C ZINC000926965149 636977712 /nfs/dbraw/zinc/97/77/12/636977712.db2.gz PYQMLFPVTMYHRJ-WDEREUQCSA-N 2 1 232.393 1.048 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704249 637012104 /nfs/dbraw/zinc/01/21/04/637012104.db2.gz CDSPJNFJYRBPCI-VXGBXAGGSA-N 2 1 249.358 1.780 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924706590 637014999 /nfs/dbraw/zinc/01/49/99/637014999.db2.gz QEDGGYVBSQOTEG-RYUDHWBXSA-N 2 1 228.380 1.325 20 0 BDADMP CCCC[N@@H+](CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437157 637360207 /nfs/dbraw/zinc/36/02/07/637360207.db2.gz GJESACUVFSZDBQ-OLZOCXBDSA-N 2 1 228.380 1.590 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000903463633 637364801 /nfs/dbraw/zinc/36/48/01/637364801.db2.gz HDQFLIYVWHUHKF-YIYPIFLZSA-N 2 1 240.391 1.325 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903463779 637364810 /nfs/dbraw/zinc/36/48/10/637364810.db2.gz MHFPONISIKPZIR-YPMHNXCESA-N 2 1 249.358 1.649 20 0 BDADMP C[C@@]12COC[C@H]1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463756 637365357 /nfs/dbraw/zinc/36/53/57/637365357.db2.gz LQYVGQDLGQRNSU-FVCCEPFGSA-N 2 1 224.348 1.082 20 0 BDADMP CCCC[N@@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719080 637377103 /nfs/dbraw/zinc/37/71/03/637377103.db2.gz VARZPXGGQFDFOA-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CCCC[N@@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719078 637377294 /nfs/dbraw/zinc/37/72/94/637377294.db2.gz VARZPXGGQFDFOA-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903724848 637379795 /nfs/dbraw/zinc/37/97/95/637379795.db2.gz RDCWNYPZWBOXGB-QWHCGFSZSA-N 2 1 224.348 1.239 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722955 637379823 /nfs/dbraw/zinc/37/98/23/637379823.db2.gz QWQVROUTYHXAOZ-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000903867318 637386493 /nfs/dbraw/zinc/38/64/93/637386493.db2.gz PDAIBUKFUDFEHY-ZIAGYGMSSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000903867318 637386499 /nfs/dbraw/zinc/38/64/99/637386499.db2.gz PDAIBUKFUDFEHY-ZIAGYGMSSA-N 3 1 237.391 1.204 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904429286 637398185 /nfs/dbraw/zinc/39/81/85/637398185.db2.gz CBAGXVMSYRCZIE-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904429286 637398189 /nfs/dbraw/zinc/39/81/89/637398189.db2.gz CBAGXVMSYRCZIE-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000904433037 637399974 /nfs/dbraw/zinc/39/99/74/637399974.db2.gz JNZUDRIXLNGWEQ-ZDUSSCGKSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cncc(O)c1 ZINC000904432813 637400652 /nfs/dbraw/zinc/40/06/52/637400652.db2.gz GQYCOGFZXTXVOK-CMPLNLGQSA-N 2 1 235.331 1.407 20 0 BDADMP [NH3+]C1(c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)CC1 ZINC000905315937 637745471 /nfs/dbraw/zinc/74/54/71/637745471.db2.gz ZTQOQYMSPOLHCQ-GUBZILKMSA-N 2 1 248.330 1.611 20 0 BDADMP [NH3+][C@H]1CC[C@@H](c2nc(C3([NH3+])CC3)no2)CC1 ZINC000905330429 637779984 /nfs/dbraw/zinc/77/99/84/637779984.db2.gz JPIPGERRBSNBAV-OCAPTIKFSA-N 2 1 222.292 1.002 20 0 BDADMP C[C@H](Cc1[nH]cc[nH+]1)OC[C@@H]1C[NH2+]C[C@H]1C ZINC000905733254 637903285 /nfs/dbraw/zinc/90/32/85/637903285.db2.gz GBDJIQIQTSLSLI-MXWKQRLJSA-N 2 1 223.320 1.213 20 0 BDADMP CCCC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000906529678 638194698 /nfs/dbraw/zinc/19/46/98/638194698.db2.gz RWJGZCYUYMGZFK-CYBMUJFWSA-N 2 1 228.380 1.613 20 0 BDADMP C[C@H](C1CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076045 640059214 /nfs/dbraw/zinc/05/92/14/640059214.db2.gz MWLNFGIUDMBZGI-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCC3CC3)C[C@H]21 ZINC000931276822 640125665 /nfs/dbraw/zinc/12/56/65/640125665.db2.gz IJHUTGMHPLERML-ITGUQSILSA-N 2 1 208.349 1.668 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCC3CC3)C[C@H]21 ZINC000931276822 640125675 /nfs/dbraw/zinc/12/56/75/640125675.db2.gz IJHUTGMHPLERML-ITGUQSILSA-N 2 1 208.349 1.668 20 0 BDADMP C=C/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277372 640130243 /nfs/dbraw/zinc/13/02/43/640130243.db2.gz OPYWGIDUGIXJPU-YIOGRSOZSA-N 2 1 206.333 1.611 20 0 BDADMP C=C/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277372 640130248 /nfs/dbraw/zinc/13/02/48/640130248.db2.gz OPYWGIDUGIXJPU-YIOGRSOZSA-N 2 1 206.333 1.611 20 0 BDADMP CC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931278300 640130625 /nfs/dbraw/zinc/13/06/25/640130625.db2.gz ZOBMFBKMSONCBA-NGEZQELSSA-N 2 1 208.349 1.524 20 0 BDADMP CC1CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931278300 640130629 /nfs/dbraw/zinc/13/06/29/640130629.db2.gz ZOBMFBKMSONCBA-NGEZQELSSA-N 2 1 208.349 1.524 20 0 BDADMP CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277944 640130878 /nfs/dbraw/zinc/13/08/78/640130878.db2.gz RWBDFFHGFUMAEH-ITGUQSILSA-N 2 1 210.365 1.914 20 0 BDADMP CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277944 640130882 /nfs/dbraw/zinc/13/08/82/640130882.db2.gz RWBDFFHGFUMAEH-ITGUQSILSA-N 2 1 210.365 1.914 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CC=CC3)C[C@H]21 ZINC000931280545 640131785 /nfs/dbraw/zinc/13/17/85/640131785.db2.gz HBILXKFRCZSZLP-ITGUQSILSA-N 2 1 206.333 1.444 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CC=CC3)C[C@H]21 ZINC000931280545 640131794 /nfs/dbraw/zinc/13/17/94/640131794.db2.gz HBILXKFRCZSZLP-ITGUQSILSA-N 2 1 206.333 1.444 20 0 BDADMP CC(C)=CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931430417 640198726 /nfs/dbraw/zinc/19/87/26/640198726.db2.gz BOEPJMDHUBKPKF-OLZOCXBDSA-N 2 1 208.349 1.836 20 0 BDADMP CC(C)=CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931430417 640198733 /nfs/dbraw/zinc/19/87/33/640198733.db2.gz BOEPJMDHUBKPKF-OLZOCXBDSA-N 2 1 208.349 1.836 20 0 BDADMP CC(C)=CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931430417 640198738 /nfs/dbraw/zinc/19/87/38/640198738.db2.gz BOEPJMDHUBKPKF-OLZOCXBDSA-N 2 1 208.349 1.836 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931435624 640201456 /nfs/dbraw/zinc/20/14/56/640201456.db2.gz BVHLQKKKNZAMSU-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC000931435624 640201457 /nfs/dbraw/zinc/20/14/57/640201457.db2.gz BVHLQKKKNZAMSU-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC000931435624 640201458 /nfs/dbraw/zinc/20/14/58/640201458.db2.gz BVHLQKKKNZAMSU-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)O1 ZINC000931435556 640203610 /nfs/dbraw/zinc/20/36/10/640203610.db2.gz FZHWFNXGFMGCER-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)O1 ZINC000931435556 640203616 /nfs/dbraw/zinc/20/36/16/640203616.db2.gz FZHWFNXGFMGCER-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)O1 ZINC000931435556 640203620 /nfs/dbraw/zinc/20/36/20/640203620.db2.gz FZHWFNXGFMGCER-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP COCC[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438022 640203631 /nfs/dbraw/zinc/20/36/31/640203631.db2.gz XXBZPYJPAPMTET-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438022 640203634 /nfs/dbraw/zinc/20/36/34/640203634.db2.gz XXBZPYJPAPMTET-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438022 640203639 /nfs/dbraw/zinc/20/36/39/640203639.db2.gz XXBZPYJPAPMTET-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCc2nccc(N)c2C1 ZINC000931512167 640241241 /nfs/dbraw/zinc/24/12/41/640241241.db2.gz FYFMBXSKLDYGLP-SNVBAGLBSA-N 2 1 235.331 1.447 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512167 640241245 /nfs/dbraw/zinc/24/12/45/640241245.db2.gz FYFMBXSKLDYGLP-SNVBAGLBSA-N 2 1 235.331 1.447 20 0 BDADMP C[Si](C)(C)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513051 640242201 /nfs/dbraw/zinc/24/22/01/640242201.db2.gz RTUHSRFFUPWXSW-UHFFFAOYSA-N 2 1 235.407 1.899 20 0 BDADMP C[Si](C)(C)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513051 640242206 /nfs/dbraw/zinc/24/22/06/640242206.db2.gz RTUHSRFFUPWXSW-UHFFFAOYSA-N 2 1 235.407 1.899 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146262 640314536 /nfs/dbraw/zinc/31/45/36/640314536.db2.gz BQQRLVDZLLNOBY-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP COCCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719835 640341934 /nfs/dbraw/zinc/34/19/34/640341934.db2.gz GRDCGPMOYXGZDH-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP COCCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719835 640341940 /nfs/dbraw/zinc/34/19/40/640341940.db2.gz GRDCGPMOYXGZDH-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP COCCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719835 640341952 /nfs/dbraw/zinc/34/19/52/640341952.db2.gz GRDCGPMOYXGZDH-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP COCCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719835 640341957 /nfs/dbraw/zinc/34/19/57/640341957.db2.gz GRDCGPMOYXGZDH-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](C)C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000036192424 640402420 /nfs/dbraw/zinc/40/24/20/640402420.db2.gz GUOBNCVYSPCYRX-UHFFFAOYSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000166225221 640622334 /nfs/dbraw/zinc/62/23/34/640622334.db2.gz YKBMRYUAWACJOY-WDEREUQCSA-N 2 1 224.373 1.960 20 0 BDADMP CCO[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000932972732 640658838 /nfs/dbraw/zinc/65/88/38/640658838.db2.gz FXHBOAKRZWDYPO-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CCO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000932972732 640658843 /nfs/dbraw/zinc/65/88/43/640658843.db2.gz FXHBOAKRZWDYPO-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CCC(=O)CC[N@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933731619 640753658 /nfs/dbraw/zinc/75/36/58/640753658.db2.gz DZIBFNLTWKHXBG-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP CCC(=O)CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933731619 640753662 /nfs/dbraw/zinc/75/36/62/640753662.db2.gz DZIBFNLTWKHXBG-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)C1CC1 ZINC000933734218 640756386 /nfs/dbraw/zinc/75/63/86/640756386.db2.gz QLHOVWFSTOCEMX-MELADBBJSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C1CC1 ZINC000933734218 640756388 /nfs/dbraw/zinc/75/63/88/640756388.db2.gz QLHOVWFSTOCEMX-MELADBBJSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)C1CC1 ZINC000933734218 640756394 /nfs/dbraw/zinc/75/63/94/640756394.db2.gz QLHOVWFSTOCEMX-MELADBBJSA-N 2 1 238.375 1.295 20 0 BDADMP CSCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933739407 640758963 /nfs/dbraw/zinc/75/89/63/640758963.db2.gz IHAKWDWOILHZRT-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP CSCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933739407 640758970 /nfs/dbraw/zinc/75/89/70/640758970.db2.gz IHAKWDWOILHZRT-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP CSCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933739407 640758973 /nfs/dbraw/zinc/75/89/73/640758973.db2.gz IHAKWDWOILHZRT-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP CC[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735170 640760938 /nfs/dbraw/zinc/76/09/38/640760938.db2.gz GDAFVMRAMPUTSN-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735170 640760942 /nfs/dbraw/zinc/76/09/42/640760942.db2.gz GDAFVMRAMPUTSN-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735170 640760945 /nfs/dbraw/zinc/76/09/45/640760945.db2.gz GDAFVMRAMPUTSN-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227766918 640848359 /nfs/dbraw/zinc/84/83/59/640848359.db2.gz MUKPWTNRVOGLLA-KBPBESRZSA-N 2 1 242.407 1.966 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227913248 640853696 /nfs/dbraw/zinc/85/36/96/640853696.db2.gz GNNHKDZEOAWYER-ZOBORPQBSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227913248 640853697 /nfs/dbraw/zinc/85/36/97/640853697.db2.gz GNNHKDZEOAWYER-ZOBORPQBSA-N 2 1 238.375 1.770 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000228781490 640895346 /nfs/dbraw/zinc/89/53/46/640895346.db2.gz DKTCRZHPQFDXGV-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000228781490 640895348 /nfs/dbraw/zinc/89/53/48/640895348.db2.gz DKTCRZHPQFDXGV-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000229059852 640919495 /nfs/dbraw/zinc/91/94/95/640919495.db2.gz MHWZGAXTMRKIOR-OLZOCXBDSA-N 2 1 233.359 1.807 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)CO ZINC000063122132 641135061 /nfs/dbraw/zinc/13/50/61/641135061.db2.gz CRENGWKTBNFPGN-UHFFFAOYSA-N 2 1 228.380 1.279 20 0 BDADMP CCc1cnc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])s1 ZINC000234256279 641159275 /nfs/dbraw/zinc/15/92/75/641159275.db2.gz IRPWUYDDGDUUIR-ONGXEEELSA-N 2 1 239.388 1.923 20 0 BDADMP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000934621800 641218852 /nfs/dbraw/zinc/21/88/52/641218852.db2.gz MBVNGFURUVXMBA-KWCYVHTRSA-N 2 1 238.375 1.386 20 0 BDADMP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000934621800 641218857 /nfs/dbraw/zinc/21/88/57/641218857.db2.gz MBVNGFURUVXMBA-KWCYVHTRSA-N 2 1 238.375 1.386 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000232673657 641340393 /nfs/dbraw/zinc/34/03/93/641340393.db2.gz UZTQPNUKBHUDPH-QWHCGFSZSA-N 2 1 228.380 1.576 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000223930450 641700884 /nfs/dbraw/zinc/70/08/84/641700884.db2.gz DIMIYPVGASQBTK-XQHKEYJVSA-N 2 1 210.365 1.820 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000188994530 641780238 /nfs/dbraw/zinc/78/02/38/641780238.db2.gz XSPQTMAILHMHON-LBPRGKRZSA-N 2 1 237.322 1.652 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000188994530 641780237 /nfs/dbraw/zinc/78/02/37/641780237.db2.gz XSPQTMAILHMHON-LBPRGKRZSA-N 2 1 237.322 1.652 20 0 BDADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000188987516 641781173 /nfs/dbraw/zinc/78/11/73/641781173.db2.gz MRBVRCLZXQIVQI-GFCCVEGCSA-N 2 1 249.333 1.795 20 0 BDADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000188987516 641781177 /nfs/dbraw/zinc/78/11/77/641781177.db2.gz MRBVRCLZXQIVQI-GFCCVEGCSA-N 2 1 249.333 1.795 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)OCCCO2)CCN1C ZINC000190648091 641878577 /nfs/dbraw/zinc/87/85/77/641878577.db2.gz CQFQQQRXKYFCSN-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)OCCCO2)CC[N@@H+]1C ZINC000190648091 641878583 /nfs/dbraw/zinc/87/85/83/641878583.db2.gz CQFQQQRXKYFCSN-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)OCCCO2)CC[N@H+]1C ZINC000190648091 641878587 /nfs/dbraw/zinc/87/85/87/641878587.db2.gz CQFQQQRXKYFCSN-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP COCCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154750499 642223506 /nfs/dbraw/zinc/22/35/06/642223506.db2.gz XFAIUPFFGYNWNK-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000420371137 642722266 /nfs/dbraw/zinc/72/22/66/642722266.db2.gz KHJGXLCMJIXVSG-GFCCVEGCSA-N 2 1 236.363 1.209 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000069626967 642886424 /nfs/dbraw/zinc/88/64/24/642886424.db2.gz YGOZISKGQDJMDC-GMRPRLDHSA-N 2 1 202.729 1.798 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000069626967 642886426 /nfs/dbraw/zinc/88/64/26/642886426.db2.gz YGOZISKGQDJMDC-GMRPRLDHSA-N 2 1 202.729 1.798 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000071147365 643102327 /nfs/dbraw/zinc/10/23/27/643102327.db2.gz VUTQFJHXSYODFV-AWEZNQCLSA-N 2 1 248.370 1.915 20 0 BDADMP C[N@@H+](CCNC1CC[NH+](C)CC1)C1CCCC1 ZINC000071376605 643135943 /nfs/dbraw/zinc/13/59/43/643135943.db2.gz IORLQIGCVJMKPO-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2(C)OCCO2)CC[N@H+]1C ZINC000183894567 643179471 /nfs/dbraw/zinc/17/94/71/643179471.db2.gz NJQPPFKETHMTLK-VXGBXAGGSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000035776839 643254224 /nfs/dbraw/zinc/25/42/24/643254224.db2.gz MOFUCZUMTRDORF-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP C[N@H+]1CCN(CCC[NH2+]C2CC2)CC1(C)C ZINC000082478050 643318563 /nfs/dbraw/zinc/31/85/63/643318563.db2.gz HRPGWDBELPSBCI-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCC1CCC1 ZINC000083052914 643404313 /nfs/dbraw/zinc/40/43/13/643404313.db2.gz JLSDLYGJVSGQPC-UHFFFAOYSA-N 2 1 240.395 1.423 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000082931361 643527639 /nfs/dbraw/zinc/52/76/39/643527639.db2.gz YNKMNRSUOCNGMY-NSHDSACASA-N 2 1 205.305 1.252 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921620861 643629064 /nfs/dbraw/zinc/62/90/64/643629064.db2.gz VPSHWCGICXKEKA-ZDUSSCGKSA-N 2 1 249.358 1.607 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245155 643658149 /nfs/dbraw/zinc/65/81/49/643658149.db2.gz OVFNMUQIRNSZKA-SNVBAGLBSA-N 2 1 209.293 1.072 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245155 643658153 /nfs/dbraw/zinc/65/81/53/643658153.db2.gz OVFNMUQIRNSZKA-SNVBAGLBSA-N 2 1 209.293 1.072 20 0 BDADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000050245433 643661701 /nfs/dbraw/zinc/66/17/01/643661701.db2.gz YAXJHHRBAOYHOL-LBPRGKRZSA-N 2 1 248.326 1.238 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000050245433 643661707 /nfs/dbraw/zinc/66/17/07/643661707.db2.gz YAXJHHRBAOYHOL-LBPRGKRZSA-N 2 1 248.326 1.238 20 0 BDADMP CCOc1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245241 643662097 /nfs/dbraw/zinc/66/20/97/643662097.db2.gz CLFYWJYMXWBSGP-GFCCVEGCSA-N 2 1 234.343 1.866 20 0 BDADMP C1=CO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000050268397 643670879 /nfs/dbraw/zinc/67/08/79/643670879.db2.gz WWNBESDDZQMXLS-MJBXVCDLSA-N 2 1 236.359 1.896 20 0 BDADMP C1=CO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000050268397 643670882 /nfs/dbraw/zinc/67/08/82/643670882.db2.gz WWNBESDDZQMXLS-MJBXVCDLSA-N 2 1 236.359 1.896 20 0 BDADMP CCOCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000087977985 643693899 /nfs/dbraw/zinc/69/38/99/643693899.db2.gz JYASCLKCJUHNKJ-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNCc1cc[nH]c(=O)c1 ZINC000922125357 643868108 /nfs/dbraw/zinc/86/81/08/643868108.db2.gz GHJDDTIGUPFMRF-ZDUSSCGKSA-N 2 1 249.358 1.751 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922125357 643868112 /nfs/dbraw/zinc/86/81/12/643868112.db2.gz GHJDDTIGUPFMRF-ZDUSSCGKSA-N 2 1 249.358 1.751 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922125357 643868116 /nfs/dbraw/zinc/86/81/16/643868116.db2.gz GHJDDTIGUPFMRF-ZDUSSCGKSA-N 2 1 249.358 1.751 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cnn(CCF)c1)[NH+](C)C ZINC000922253804 643923330 /nfs/dbraw/zinc/92/33/30/643923330.db2.gz FACRMCQMPNDRTN-NSHDSACASA-N 2 1 242.342 1.282 20 0 BDADMP CN(CC[NH2+]C(C)(C)C)C[C@H]1CCC[N@H+]1C ZINC000086188258 643949830 /nfs/dbraw/zinc/94/98/30/643949830.db2.gz CSWBTWKQAQVVQK-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP CCO[C@H](C[NH2+]CC1(C)CCC1)C[NH+](C)C ZINC000922755223 644087428 /nfs/dbraw/zinc/08/74/28/644087428.db2.gz YVJLROXUKHOVKS-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CCO[C@H](C[NH2+]CC(C)(C)C)C[NH+](C)C ZINC000922756277 644087798 /nfs/dbraw/zinc/08/77/98/644087798.db2.gz HYKNKZXRLZXIDA-LLVKDONJSA-N 2 1 216.369 1.589 20 0 BDADMP CCc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000229098568 644167194 /nfs/dbraw/zinc/16/71/94/644167194.db2.gz YIDNYXJOUBCYJN-JQWIXIFHSA-N 2 1 248.374 1.769 20 0 BDADMP [NH3+]C[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000086839789 644186649 /nfs/dbraw/zinc/18/66/49/644186649.db2.gz UDNGFUADRNVFKY-MRVPVSSYSA-N 2 1 211.696 1.520 20 0 BDADMP c1ccc2c(c1)CC[NH+](C[C@H]1CCC[NH2+]1)CC2 ZINC000079572082 644190688 /nfs/dbraw/zinc/19/06/88/644190688.db2.gz HVGMJOSDARFGFT-OAHLLOKOSA-N 2 1 230.355 1.839 20 0 BDADMP C(C[N@H+]1CCC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923277153 644309788 /nfs/dbraw/zinc/30/97/88/644309788.db2.gz LEXLEJIPBUDLIH-AGUYFDCRSA-N 3 1 237.391 1.202 20 0 BDADMP C(CN1CCC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923277153 644309789 /nfs/dbraw/zinc/30/97/89/644309789.db2.gz LEXLEJIPBUDLIH-AGUYFDCRSA-N 2 1 237.391 1.202 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923282871 644316968 /nfs/dbraw/zinc/31/69/68/644316968.db2.gz YAIOFVFTRRBRGI-OLZOCXBDSA-N 2 1 228.380 1.598 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923287231 644320350 /nfs/dbraw/zinc/32/03/50/644320350.db2.gz CKRAFBKNUVTQJI-VXGBXAGGSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923287231 644320357 /nfs/dbraw/zinc/32/03/57/644320357.db2.gz CKRAFBKNUVTQJI-VXGBXAGGSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@@H+](Cc1cccc(F)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923298257 644335923 /nfs/dbraw/zinc/33/59/23/644335923.db2.gz UWRUHBQQAVSGPH-AVGNSLFASA-N 2 1 238.306 1.108 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315150 644343365 /nfs/dbraw/zinc/34/33/65/644343365.db2.gz QDXMDRMYKDYCQH-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923318850 644345038 /nfs/dbraw/zinc/34/50/38/644345038.db2.gz PQARCFBUTKXXRS-RYUDHWBXSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310216 644346869 /nfs/dbraw/zinc/34/68/69/644346869.db2.gz ZBWRMVLXWYXFIX-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333868 644353592 /nfs/dbraw/zinc/35/35/92/644353592.db2.gz YQHMKLAKCGUHDY-AGIUHOORSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331541 644359588 /nfs/dbraw/zinc/35/95/88/644359588.db2.gz LSTZHZUYELFSSK-KBPBESRZSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348592 644360114 /nfs/dbraw/zinc/36/01/14/644360114.db2.gz IIAPJZBVFKQCOZ-KGLIPLIRSA-N 2 1 242.407 1.844 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356896 644375238 /nfs/dbraw/zinc/37/52/38/644375238.db2.gz VOMRJNMLPGYGBM-KGLIPLIRSA-N 2 1 242.407 1.988 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923363592 644375533 /nfs/dbraw/zinc/37/55/33/644375533.db2.gz DAYNGBZGFZTYMS-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)CCc1cnccn1 ZINC000923370961 644382992 /nfs/dbraw/zinc/38/29/92/644382992.db2.gz MKVSZYQZSGATJM-UHFFFAOYSA-N 2 1 234.347 1.093 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CCc1cnccn1 ZINC000923370961 644382998 /nfs/dbraw/zinc/38/29/98/644382998.db2.gz MKVSZYQZSGATJM-UHFFFAOYSA-N 2 1 234.347 1.093 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000923377616 644391852 /nfs/dbraw/zinc/39/18/52/644391852.db2.gz OGSDTXNUWCFQKY-CQSZACIVSA-N 2 1 236.359 1.131 20 0 BDADMP O[C@H](C[NH+]1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000923382758 644393416 /nfs/dbraw/zinc/39/34/16/644393416.db2.gz UGTCOJJQLVYLPG-CQSZACIVSA-N 2 1 246.354 1.548 20 0 BDADMP C[N@H+](C[C@H](O)Cc1ccccc1)CC(C)(C)[NH3+] ZINC000923386464 644398802 /nfs/dbraw/zinc/39/88/02/644398802.db2.gz NVIHNPKPVJJGTL-CYBMUJFWSA-N 2 1 236.359 1.259 20 0 BDADMP C[N@@H+](C[C@H](O)Cc1ccccc1)CC(C)(C)[NH3+] ZINC000923386464 644398808 /nfs/dbraw/zinc/39/88/08/644398808.db2.gz NVIHNPKPVJJGTL-CYBMUJFWSA-N 2 1 236.359 1.259 20 0 BDADMP FC1(F)C[C@]12CC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923392169 644399502 /nfs/dbraw/zinc/39/95/02/644399502.db2.gz HKWNRNZXOMOVNM-NSHDSACASA-N 2 1 230.302 1.860 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923387248 644400294 /nfs/dbraw/zinc/40/02/94/644400294.db2.gz CFQUHOJBGAPJHY-AAEUAGOBSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923388812 644402022 /nfs/dbraw/zinc/40/20/22/644402022.db2.gz JRFWUQNDKNCCQX-HZSPNIEDSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923388812 644402027 /nfs/dbraw/zinc/40/20/27/644402027.db2.gz JRFWUQNDKNCCQX-HZSPNIEDSA-N 2 1 242.407 1.843 20 0 BDADMP C/C=C\C[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413613 644417086 /nfs/dbraw/zinc/41/70/86/644417086.db2.gz WGRMDSWATWPQKN-WHYYLHBCSA-N 2 1 238.375 1.515 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455554 644435769 /nfs/dbraw/zinc/43/57/69/644435769.db2.gz XIBDMPWBDMQMBO-IGQOVBAYSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455554 644435771 /nfs/dbraw/zinc/43/57/71/644435771.db2.gz XIBDMPWBDMQMBO-IGQOVBAYSA-N 2 1 236.359 1.097 20 0 BDADMP CCC[C@@H](C)CCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923461530 644447219 /nfs/dbraw/zinc/44/72/19/644447219.db2.gz YHBFPRWFCIFHKD-CQSZACIVSA-N 2 1 241.423 1.698 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C1CC1 ZINC000923480857 644460215 /nfs/dbraw/zinc/46/02/15/644460215.db2.gz KTZUBCFXKFYOQU-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP CCc1noc([C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923486324 644462198 /nfs/dbraw/zinc/46/21/98/644462198.db2.gz PSHOLVJSAVYHAB-NXEZZACHSA-N 2 1 238.335 1.364 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923490417 644464756 /nfs/dbraw/zinc/46/47/56/644464756.db2.gz NYRWGTZHCLTXRK-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1nccnc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491026 644465589 /nfs/dbraw/zinc/46/55/89/644465589.db2.gz QBAUHZNULNOFKG-CMPLNLGQSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC000923493199 644467518 /nfs/dbraw/zinc/46/75/18/644467518.db2.gz FJSALJXBATUUCV-STQMWFEESA-N 3 1 227.396 1.422 20 0 BDADMP CCCCOC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500765 644473484 /nfs/dbraw/zinc/47/34/84/644473484.db2.gz OWZRCJPINMMOAC-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP CCCCOC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500765 644473485 /nfs/dbraw/zinc/47/34/85/644473485.db2.gz OWZRCJPINMMOAC-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923500300 644474228 /nfs/dbraw/zinc/47/42/28/644474228.db2.gz NHVRKPULMVTGSL-GXSJLCMTSA-N 2 1 223.320 1.400 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514880 644478399 /nfs/dbraw/zinc/47/83/99/644478399.db2.gz GLKWHALVTNFDBQ-JHJVBQTASA-N 2 1 228.380 1.310 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000923515969 644479260 /nfs/dbraw/zinc/47/92/60/644479260.db2.gz PGHRPPUALROTSA-WDEREUQCSA-N 2 1 237.372 1.493 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000923515969 644479264 /nfs/dbraw/zinc/47/92/64/644479264.db2.gz PGHRPPUALROTSA-WDEREUQCSA-N 2 1 237.372 1.493 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516243 644480487 /nfs/dbraw/zinc/48/04/87/644480487.db2.gz WPPFARPVLVDDGL-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923530972 644486071 /nfs/dbraw/zinc/48/60/71/644486071.db2.gz OCRJQFXBUPEATQ-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@H]1CO ZINC000923531369 644488324 /nfs/dbraw/zinc/48/83/24/644488324.db2.gz RWQOUWTZIXAHBP-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCCC[C@@H]1CO ZINC000923531370 644488576 /nfs/dbraw/zinc/48/85/76/644488576.db2.gz RWQOUWTZIXAHBP-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C(C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@@H]1CCCO1 ZINC000923533345 644490880 /nfs/dbraw/zinc/49/08/80/644490880.db2.gz KMNWAUWWGQIBFU-KBPBESRZSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@@H]1CCCO1 ZINC000923533345 644490884 /nfs/dbraw/zinc/49/08/84/644490884.db2.gz KMNWAUWWGQIBFU-KBPBESRZSA-N 2 1 238.375 1.774 20 0 BDADMP [NH3+]CCOCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000923554805 644497457 /nfs/dbraw/zinc/49/74/57/644497457.db2.gz PNMZCDHNTAZBCB-UHFFFAOYSA-N 2 1 248.370 1.669 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000089150232 644536278 /nfs/dbraw/zinc/53/62/78/644536278.db2.gz WMSHLBIWJVKXNF-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCCO)[C@@H](C)C1 ZINC000245916607 644553625 /nfs/dbraw/zinc/55/36/25/644553625.db2.gz QCAFRSAZADTSRW-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)(C)[NH2+]CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000250717377 644777738 /nfs/dbraw/zinc/77/77/38/644777738.db2.gz UHPUMQWJJGRJAV-LBPRGKRZSA-N 2 1 225.380 1.155 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000250776143 644779487 /nfs/dbraw/zinc/77/94/87/644779487.db2.gz AJQQHKHJSNMZKC-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C1=CO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250888007 644785982 /nfs/dbraw/zinc/78/59/82/644785982.db2.gz WWNBESDDZQMXLS-BFHYXJOUSA-N 2 1 236.359 1.896 20 0 BDADMP C1=CO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250888007 644785984 /nfs/dbraw/zinc/78/59/84/644785984.db2.gz WWNBESDDZQMXLS-BFHYXJOUSA-N 2 1 236.359 1.896 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCOC1 ZINC000252231421 644843371 /nfs/dbraw/zinc/84/33/71/644843371.db2.gz ZWLAAUDIYCDONZ-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)([NH3+])CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304570065 644917062 /nfs/dbraw/zinc/91/70/62/644917062.db2.gz HXKCFYPKOLQPCY-NEPJUHHUSA-N 2 1 225.380 1.330 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304570065 644917065 /nfs/dbraw/zinc/91/70/65/644917065.db2.gz HXKCFYPKOLQPCY-NEPJUHHUSA-N 3 1 225.380 1.330 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304570065 644917067 /nfs/dbraw/zinc/91/70/67/644917067.db2.gz HXKCFYPKOLQPCY-NEPJUHHUSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccnc1Cl ZINC000843129625 645266780 /nfs/dbraw/zinc/26/67/80/645266780.db2.gz QPIQARUMBVBRAN-RKDXNWHRSA-N 2 1 227.739 1.950 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000926572096 645290077 /nfs/dbraw/zinc/29/00/77/645290077.db2.gz FXQNMAJGHSUQNE-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000926574355 645291910 /nfs/dbraw/zinc/29/19/10/645291910.db2.gz WEGOCYRXPYUKPE-RFGFWPKPSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C=CCC1 ZINC000926838923 645449780 /nfs/dbraw/zinc/44/97/80/645449780.db2.gz WNMSDXWAMZZEMY-ICIURTGMSA-N 2 1 220.360 1.882 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOC(F)F)[C@@H]1CC[NH3+] ZINC000852753628 645488292 /nfs/dbraw/zinc/48/82/92/645488292.db2.gz PXGDLKNLCYGIPX-NXEZZACHSA-N 2 1 236.306 1.675 20 0 BDADMP CCO[C@@H](C[NH2+]C(C1CC1)C1CC1)C[NH+](C)C ZINC000926965699 645498262 /nfs/dbraw/zinc/49/82/62/645498262.db2.gz SJDOVUBQSGIWHX-ZDUSSCGKSA-N 2 1 240.391 1.731 20 0 BDADMP CCO[C@@H](C[NH2+]C(CC)CC)C[NH+](C)C ZINC000926961905 645500522 /nfs/dbraw/zinc/50/05/22/645500522.db2.gz KJYCLGMWHMLADO-LBPRGKRZSA-N 2 1 216.369 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H]1C)C[NH+](C)C ZINC000926960539 645502849 /nfs/dbraw/zinc/50/28/49/645502849.db2.gz MMBCXCJAILWRPX-QJPTWQEYSA-N 2 1 214.353 1.341 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](CO)C2)[C@H](C)C1 ZINC000927149971 645572089 /nfs/dbraw/zinc/57/20/89/645572089.db2.gz HIPINKUMHUPDSN-FDYHWXHSSA-N 2 1 226.364 1.077 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000011891287 645651761 /nfs/dbraw/zinc/65/17/61/645651761.db2.gz GNMUQCPDJIKUNR-LLVKDONJSA-N 2 1 208.280 1.606 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925494099 645731749 /nfs/dbraw/zinc/73/17/49/645731749.db2.gz NJDVRGXIMUDFOB-NEPJUHHUSA-N 2 1 225.380 1.201 20 0 BDADMP NCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCOC1 ZINC000220351109 645890199 /nfs/dbraw/zinc/89/01/99/645890199.db2.gz OZWBKYMXDHPIAQ-HNNXBMFYSA-N 2 1 248.370 1.874 20 0 BDADMP NCC[N@H+](Cc1ccccc1)C[C@@H]1CCCOC1 ZINC000220351109 645890201 /nfs/dbraw/zinc/89/02/01/645890201.db2.gz OZWBKYMXDHPIAQ-HNNXBMFYSA-N 2 1 248.370 1.874 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000886839318 645891696 /nfs/dbraw/zinc/89/16/96/645891696.db2.gz BQOJAXVTFLNYHT-MELADBBJSA-N 2 1 236.359 1.241 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000886839318 645891700 /nfs/dbraw/zinc/89/17/00/645891700.db2.gz BQOJAXVTFLNYHT-MELADBBJSA-N 2 1 236.359 1.241 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000924646263 646081117 /nfs/dbraw/zinc/08/11/17/646081117.db2.gz DLJAONOMSQBHLR-RYUDHWBXSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCOCC1 ZINC000924716130 646095090 /nfs/dbraw/zinc/09/50/90/646095090.db2.gz IMLJHJKCNBDLPI-QYJAPNMZSA-N 2 1 224.348 1.095 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H](O)C1 ZINC000924762397 646103085 /nfs/dbraw/zinc/10/30/85/646103085.db2.gz SUWPBRRXEGSCQD-BMNJFWBPSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@H+]1CCC[C@@H]1CNC1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000924790461 646106935 /nfs/dbraw/zinc/10/69/35/646106935.db2.gz HLTFHBLXFPQRAW-RBKKPWLPSA-N 2 1 237.391 1.010 20 0 BDADMP C[NH+]1CCC[C@@H]1CNC1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000924790461 646106938 /nfs/dbraw/zinc/10/69/38/646106938.db2.gz HLTFHBLXFPQRAW-RBKKPWLPSA-N 2 1 237.391 1.010 20 0 BDADMP C[NH+]1CCC[C@@H]1CNC1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000924790461 646106942 /nfs/dbraw/zinc/10/69/42/646106942.db2.gz HLTFHBLXFPQRAW-RBKKPWLPSA-N 2 1 237.391 1.010 20 0 BDADMP CN1CCC[C@@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000924790461 646106947 /nfs/dbraw/zinc/10/69/47/646106947.db2.gz HLTFHBLXFPQRAW-RBKKPWLPSA-N 2 1 237.391 1.010 20 0 BDADMP CN1CCC[C@@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000924790461 646106951 /nfs/dbraw/zinc/10/69/51/646106951.db2.gz HLTFHBLXFPQRAW-RBKKPWLPSA-N 2 1 237.391 1.010 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)C1CC1 ZINC000925040399 646164220 /nfs/dbraw/zinc/16/42/20/646164220.db2.gz MJRPKSGFSHLEDU-ZZWXXDIBSA-N 2 1 238.375 1.077 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCSC1 ZINC000925218326 646212314 /nfs/dbraw/zinc/21/23/14/646212314.db2.gz LLQWXDDQJYYEMG-DAAZQVBGSA-N 2 1 240.416 1.812 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929717937 646271217 /nfs/dbraw/zinc/27/12/17/646271217.db2.gz BCZANSIRNVVVQJ-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925479322 646292135 /nfs/dbraw/zinc/29/21/35/646292135.db2.gz GCGCOAARTVJENJ-YRGRVCCFSA-N 2 1 236.359 1.947 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925482550 646294007 /nfs/dbraw/zinc/29/40/07/646294007.db2.gz NIBXPRIGPMMSDD-TUAOUCFPSA-N 2 1 226.364 1.268 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925490055 646298881 /nfs/dbraw/zinc/29/88/81/646298881.db2.gz AITYRILEJVIVPQ-GHMZBOCLSA-N 2 1 237.347 1.979 20 0 BDADMP CCc1cc(CN[C@H]2C[C@H]([NH3+])C23CCC3)[nH]n1 ZINC000925487787 646300541 /nfs/dbraw/zinc/30/05/41/646300541.db2.gz FPSLKUYXSXYTFS-RYUDHWBXSA-N 2 1 234.347 1.332 20 0 BDADMP CCc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)[nH]n1 ZINC000925487787 646300549 /nfs/dbraw/zinc/30/05/49/646300549.db2.gz FPSLKUYXSXYTFS-RYUDHWBXSA-N 2 1 234.347 1.332 20 0 BDADMP C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[N@@H+](C)C1CC1 ZINC000925497343 646301901 /nfs/dbraw/zinc/30/19/01/646301901.db2.gz VCMQMJLSXLETAL-DGCLKSJQSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCOC2CC2)CC[N@@H+]1C ZINC000929782929 646309760 /nfs/dbraw/zinc/30/97/60/646309760.db2.gz NFCXQEYCDLPBCU-VXGBXAGGSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCOC2CC2)CC[N@H+]1C ZINC000929782929 646309764 /nfs/dbraw/zinc/30/97/64/646309764.db2.gz NFCXQEYCDLPBCU-VXGBXAGGSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCOC2CC2)CC[NH+]1C ZINC000929782929 646309765 /nfs/dbraw/zinc/30/97/65/646309765.db2.gz NFCXQEYCDLPBCU-VXGBXAGGSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCOC2CC2)CC[NH+]1C ZINC000929782929 646309768 /nfs/dbraw/zinc/30/97/68/646309768.db2.gz NFCXQEYCDLPBCU-VXGBXAGGSA-N 2 1 226.364 1.580 20 0 BDADMP C[NH+](C)CCCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925523381 646315713 /nfs/dbraw/zinc/31/57/13/646315713.db2.gz YICKUSJCZRDTHO-ZDUSSCGKSA-N 2 1 239.407 1.593 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000925539265 646322601 /nfs/dbraw/zinc/32/26/01/646322601.db2.gz AOQHOMTWYAEFGR-ZJUUUORDSA-N 2 1 246.445 1.565 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC000925547314 646327597 /nfs/dbraw/zinc/32/75/97/646327597.db2.gz BKONEUOSJZVNAF-NEPJUHHUSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925557800 646333514 /nfs/dbraw/zinc/33/35/14/646333514.db2.gz QOLQXVNGHZRUGS-UBHSHLNASA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925563234 646336566 /nfs/dbraw/zinc/33/65/66/646336566.db2.gz BHGURRQVCOASRR-YNEHKIRRSA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925563234 646336570 /nfs/dbraw/zinc/33/65/70/646336570.db2.gz BHGURRQVCOASRR-YNEHKIRRSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925614687 646361885 /nfs/dbraw/zinc/36/18/85/646361885.db2.gz ZZZRLQBBRRLRPJ-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925624663 646369585 /nfs/dbraw/zinc/36/95/85/646369585.db2.gz ZLGKSUOYSKKTSW-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925624662 646370551 /nfs/dbraw/zinc/37/05/51/646370551.db2.gz ZLGKSUOYSKKTSW-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925625798 646372832 /nfs/dbraw/zinc/37/28/32/646372832.db2.gz KYFPJSLGTKZHHY-GFCCVEGCSA-N 2 1 240.391 1.659 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925636927 646380223 /nfs/dbraw/zinc/38/02/23/646380223.db2.gz WCCIFYDQEASONM-NEPJUHHUSA-N 2 1 240.391 1.514 20 0 BDADMP c1cn2c([nH+]1)C[C@H](N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000925644751 646385381 /nfs/dbraw/zinc/38/53/81/646385381.db2.gz NJPOOYWSZSTQRK-VXGBXAGGSA-N 2 1 246.358 1.072 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925673444 646402430 /nfs/dbraw/zinc/40/24/30/646402430.db2.gz XDZXDGGAHOTJPG-VWYCJHECSA-N 2 1 226.389 1.612 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925680281 646407459 /nfs/dbraw/zinc/40/74/59/646407459.db2.gz PXYPQQQPKUHUQR-SDDRHHMPSA-N 2 1 228.380 1.778 20 0 BDADMP C(C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[NH2+]C1CC1 ZINC000925695330 646419315 /nfs/dbraw/zinc/41/93/15/646419315.db2.gz VTYCUGSSWVRHDG-MBNYWOFBSA-N 2 1 238.375 1.533 20 0 BDADMP C1[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C12CC[NH2+]CC2 ZINC000925702521 646427374 /nfs/dbraw/zinc/42/73/74/646427374.db2.gz BABPBEPYHHKPQR-RYUDHWBXSA-N 3 1 235.375 1.003 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCC2 ZINC000925705479 646430203 /nfs/dbraw/zinc/43/02/03/646430203.db2.gz JJVBZGPVXIEXKD-OLZOCXBDSA-N 2 1 235.375 1.156 20 0 BDADMP N[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCC2 ZINC000925705484 646430289 /nfs/dbraw/zinc/43/02/89/646430289.db2.gz JJVBZGPVXIEXKD-STQMWFEESA-N 2 1 235.375 1.156 20 0 BDADMP [NH3+]Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925713451 646439649 /nfs/dbraw/zinc/43/96/49/646439649.db2.gz SWDKDZMHMVIVQK-ZIAGYGMSSA-N 2 1 245.370 1.505 20 0 BDADMP CCn1nccc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925715626 646441177 /nfs/dbraw/zinc/44/11/77/646441177.db2.gz FQFIWHQMYJOGRH-RYUDHWBXSA-N 2 1 234.347 1.263 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729236 646453648 /nfs/dbraw/zinc/45/36/48/646453648.db2.gz ZHEBSTXFQFSEGY-OXHZDVMGSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@@H]([NH3+])[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729236 646453653 /nfs/dbraw/zinc/45/36/53/646453653.db2.gz ZHEBSTXFQFSEGY-OXHZDVMGSA-N 2 1 233.359 1.402 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000925731158 646454342 /nfs/dbraw/zinc/45/43/42/646454342.db2.gz SGVPUYWRJWJQQB-CYDGBPFRSA-N 2 1 238.375 1.674 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925733731 646458877 /nfs/dbraw/zinc/45/88/77/646458877.db2.gz WQLQSIVJRSPQTN-VXGBXAGGSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[C@@H](NCc2cc(N)cc[nH+]2)[C@@H](C)O1 ZINC000925768050 646468137 /nfs/dbraw/zinc/46/81/37/646468137.db2.gz RQZAMSQWUALKCI-KBVBSXBZSA-N 2 1 221.304 1.319 20 0 BDADMP CC1(C)C[C@@H]([NH2+]Cc2cc(N)ccn2)C[C@@H]([NH3+])C1 ZINC000925768093 646469251 /nfs/dbraw/zinc/46/92/51/646469251.db2.gz SKFHIQPGRJKLOY-NEPJUHHUSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000925781078 646477252 /nfs/dbraw/zinc/47/72/52/646477252.db2.gz CZNFSGDZIPGIKY-MLGHIDQZSA-N 2 1 238.375 1.388 20 0 BDADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1(Cl)CC1 ZINC000925814791 646492017 /nfs/dbraw/zinc/49/20/17/646492017.db2.gz QAGZFGIEMDACGA-UWVGGRQHSA-N 2 1 239.750 1.947 20 0 BDADMP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCC[C@H]3[NH3+])ccc2O1 ZINC000925829296 646500064 /nfs/dbraw/zinc/50/00/64/646500064.db2.gz AUYAYHIXWVEFGL-HONMWMINSA-N 2 1 246.354 1.979 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832845 646500693 /nfs/dbraw/zinc/50/06/93/646500693.db2.gz QDHSHTCGZVIANV-RGOKHQFPSA-N 2 1 236.281 1.915 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)nn1C ZINC000925832526 646501458 /nfs/dbraw/zinc/50/14/58/646501458.db2.gz GBMVTEJXVYKGIK-ZDUSSCGKSA-N 2 1 248.374 1.145 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000925857534 646511177 /nfs/dbraw/zinc/51/11/77/646511177.db2.gz MLVATSKNOVMICF-RWMBFGLXSA-N 2 1 228.380 1.658 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000925854307 646511246 /nfs/dbraw/zinc/51/12/46/646511246.db2.gz DJGCUUVPLODQAJ-WOPDTQHZSA-N 2 1 214.353 1.125 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000926259822 646607683 /nfs/dbraw/zinc/60/76/83/646607683.db2.gz QHHHUQAJSWHFGA-UKIXVXPJSA-N 2 1 238.375 1.077 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCF ZINC000926462821 646649427 /nfs/dbraw/zinc/64/94/27/646649427.db2.gz DFTIDBOISFXSMA-FOSCPWQOSA-N 2 1 214.328 1.666 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382658271 711547044 /nfs/dbraw/zinc/54/70/44/711547044.db2.gz NYKOYDRVJMWANN-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382658271 711547047 /nfs/dbraw/zinc/54/70/47/711547047.db2.gz NYKOYDRVJMWANN-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CCCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720873575 711686733 /nfs/dbraw/zinc/68/67/33/711686733.db2.gz SBKBVDUDPAYPFN-IUCAKERBSA-N 2 1 224.270 1.856 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925604854 711704996 /nfs/dbraw/zinc/70/49/96/711704996.db2.gz AVCBZRFAOGONLB-ZDUSSCGKSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000397302721 711705316 /nfs/dbraw/zinc/70/53/16/711705316.db2.gz LDRXSKAWULCUKC-RDBSUJKOSA-N 2 1 242.407 1.844 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313147688 711713787 /nfs/dbraw/zinc/71/37/87/711713787.db2.gz SVKKGPINQDGLAT-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP Cn1cc(CC[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000710714373 711762419 /nfs/dbraw/zinc/76/24/19/711762419.db2.gz PWWVCLPPOXRVRV-UHFFFAOYSA-N 2 1 238.379 1.414 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000160042066 711805747 /nfs/dbraw/zinc/80/57/47/711805747.db2.gz OPMVVKWSMCFQTI-VIFPVBQESA-N 2 1 240.269 1.236 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000721906640 711813864 /nfs/dbraw/zinc/81/38/64/711813864.db2.gz BCONADNOVOUYDR-WLOAISHVSA-N 2 1 226.364 1.613 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000069724477 711893490 /nfs/dbraw/zinc/89/34/90/711893490.db2.gz JTOHZEBWKOOZBW-JYBNPQIESA-N 2 1 202.729 1.800 20 0 BDADMP COC[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000721916611 711919000 /nfs/dbraw/zinc/91/90/00/711919000.db2.gz YZBWPSLYBJWGAH-XQQFMLRXSA-N 2 1 226.364 1.056 20 0 BDADMP C[N@H+](Cc1nccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000387699190 711968360 /nfs/dbraw/zinc/96/83/60/711968360.db2.gz JBUISHPKLWUSFP-ZJUUUORDSA-N 2 1 225.361 1.702 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCCO)C[C@]2(C)C1 ZINC000702284785 712044722 /nfs/dbraw/zinc/04/47/22/712044722.db2.gz NXCDPDGZCYQJQK-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc2cnccc21 ZINC000702770345 712060378 /nfs/dbraw/zinc/06/03/78/712060378.db2.gz DTLQYCUWPDTRRE-JTQLQIEISA-N 2 1 215.300 1.672 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708325826 712187369 /nfs/dbraw/zinc/18/73/69/712187369.db2.gz YESNWMVNFSIIAR-IJLUTSLNSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000708332140 712188065 /nfs/dbraw/zinc/18/80/65/712188065.db2.gz PMQHDYGCKXYEMX-NWDGAFQWSA-N 2 1 226.364 1.472 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000708340092 712189114 /nfs/dbraw/zinc/18/91/14/712189114.db2.gz XYDXLFVEEQRMGS-NEPJUHHUSA-N 2 1 226.364 1.472 20 0 BDADMP OCCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709998220 712238715 /nfs/dbraw/zinc/23/87/15/712238715.db2.gz XIXJNVFUABUDCO-CQSZACIVSA-N 2 1 240.391 1.615 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000711249520 712291454 /nfs/dbraw/zinc/29/14/54/712291454.db2.gz LFFHPBKYVIRZOG-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOC1CC1)C2 ZINC000711660067 712314769 /nfs/dbraw/zinc/31/47/69/712314769.db2.gz TUVKZAZNBPPVQI-BETUJISGSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOC1CC1)C2 ZINC000711660067 712314770 /nfs/dbraw/zinc/31/47/70/712314770.db2.gz TUVKZAZNBPPVQI-BETUJISGSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711751827 712324845 /nfs/dbraw/zinc/32/48/45/712324845.db2.gz IBIGHIMNTFNLRS-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000712555630 712445229 /nfs/dbraw/zinc/44/52/29/712445229.db2.gz WYYIDXXHOAEZSP-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000713465238 712460631 /nfs/dbraw/zinc/46/06/31/712460631.db2.gz KAWIYPDBOIVJJS-JTQLQIEISA-N 2 1 209.293 1.154 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000713465238 712460632 /nfs/dbraw/zinc/46/06/32/712460632.db2.gz KAWIYPDBOIVJJS-JTQLQIEISA-N 2 1 209.293 1.154 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000715469446 712520413 /nfs/dbraw/zinc/52/04/13/712520413.db2.gz DVJWPNVJGDBZDY-MXWKQRLJSA-N 2 1 230.302 1.573 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC000715518245 712524995 /nfs/dbraw/zinc/52/49/95/712524995.db2.gz FPPNIQBLVZFPNQ-DBIOUOCHSA-N 2 1 230.302 1.571 20 0 BDADMP CCC[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716815747 712576468 /nfs/dbraw/zinc/57/64/68/712576468.db2.gz TYQXRXSZISWNDF-FUDCBSFHSA-N 2 1 240.391 1.752 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000716853571 712578602 /nfs/dbraw/zinc/57/86/02/712578602.db2.gz PPYUFTGPLFPDKB-RFQIPJPRSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000716843563 712578420 /nfs/dbraw/zinc/57/84/20/712578420.db2.gz KPFJVHOKFTWTGY-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+]CC[NH3+] ZINC000037712945 712744884 /nfs/dbraw/zinc/74/48/84/712744884.db2.gz GYRBCMTYVGBBNC-SNVBAGLBSA-N 2 1 208.305 1.175 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000719784804 712824854 /nfs/dbraw/zinc/82/48/54/712824854.db2.gz YZUSZZUQSSPZJJ-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1conc1C[N@H+](C)CCCCCC[NH3+] ZINC000720396099 712838294 /nfs/dbraw/zinc/83/82/94/712838294.db2.gz PUSWNFICNSJRFU-UHFFFAOYSA-N 2 1 225.336 1.934 20 0 BDADMP Cc1conc1C[N@@H+](C)CCCCCC[NH3+] ZINC000720396099 712838295 /nfs/dbraw/zinc/83/82/95/712838295.db2.gz PUSWNFICNSJRFU-UHFFFAOYSA-N 2 1 225.336 1.934 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720903726 712875463 /nfs/dbraw/zinc/87/54/63/712875463.db2.gz LFPIQLYJARYZLN-CHWSQXEVSA-N 2 1 224.348 1.239 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720903726 712875464 /nfs/dbraw/zinc/87/54/64/712875464.db2.gz LFPIQLYJARYZLN-CHWSQXEVSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)C1CC1 ZINC000381326866 710622998 /nfs/dbraw/zinc/62/29/98/710622998.db2.gz RJOCASQQZIZWDB-CHWSQXEVSA-N 2 1 226.364 1.221 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000721909210 710689267 /nfs/dbraw/zinc/68/92/67/710689267.db2.gz RBSSESJGOITJGP-LPWJVIDDSA-N 2 1 226.364 1.471 20 0 BDADMP c1ccc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000384056824 710988212 /nfs/dbraw/zinc/98/82/12/710988212.db2.gz XNCCTTJAUJESCV-LSDHHAIUSA-N 2 1 230.355 1.770 20 0 BDADMP CC1(C)C[N@H+](CC2CCOCC2)C[C@@H]1[NH3+] ZINC000388012091 711049773 /nfs/dbraw/zinc/04/97/73/711049773.db2.gz CVRXQPRSJOJTIB-NSHDSACASA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@@H+](CC2CCOCC2)C[C@@H]1[NH3+] ZINC000388012091 711049776 /nfs/dbraw/zinc/04/97/76/711049776.db2.gz CVRXQPRSJOJTIB-NSHDSACASA-N 2 1 212.337 1.082 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000389630400 711084023 /nfs/dbraw/zinc/08/40/23/711084023.db2.gz LZWCANVUMKNPJG-QJPTWQEYSA-N 2 1 228.405 1.669 20 0 BDADMP C(CC1CC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000394487076 711193689 /nfs/dbraw/zinc/19/36/89/711193689.db2.gz IGLJZTWOXYHXQK-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000396592015 711359816 /nfs/dbraw/zinc/35/98/16/711359816.db2.gz UDWGPPOILZKIQZ-YUMQZZPRSA-N 2 1 242.310 1.970 20 0 BDADMP CC(C)CCOCC[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396638160 711360340 /nfs/dbraw/zinc/36/03/40/711360340.db2.gz LVANUSFUXCFGMA-CHWSQXEVSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@H]1NCCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000396631317 711360603 /nfs/dbraw/zinc/36/06/03/711360603.db2.gz XTUSYDSVBIKZDL-YPMHNXCESA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H]1C[N@H+](CCCOC(F)(F)F)CC[C@H]1[NH3+] ZINC000398135478 711402094 /nfs/dbraw/zinc/40/20/94/711402094.db2.gz ALFSLIDLJZRPJW-DTWKUNHWSA-N 2 1 240.269 1.582 20 0 BDADMP C[C@H]1C[N@@H+](CCCOC(F)(F)F)CC[C@H]1[NH3+] ZINC000398135478 711402095 /nfs/dbraw/zinc/40/20/95/711402095.db2.gz ALFSLIDLJZRPJW-DTWKUNHWSA-N 2 1 240.269 1.582 20 0 BDADMP [NH3+]C1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000398187217 711404406 /nfs/dbraw/zinc/40/44/06/711404406.db2.gz PEAKTYQMRSSUJV-UHFFFAOYSA-N 2 1 226.242 1.336 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOC(F)F ZINC000398273103 711406545 /nfs/dbraw/zinc/40/65/45/711406545.db2.gz HGIUBMYAMNTTSX-IUCAKERBSA-N 2 1 222.279 1.346 20 0 BDADMP C[C@H]1COCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000399164747 711423336 /nfs/dbraw/zinc/42/33/36/711423336.db2.gz MUBWFZHBWSUHBE-CYBMUJFWSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](CCC[NH3+])CC[C@H]1CC1(Cl)Cl ZINC000399270091 711426267 /nfs/dbraw/zinc/42/62/67/711426267.db2.gz UAKHGSWWWCBSJJ-QMMMGPOBSA-N 2 1 225.163 1.851 20 0 BDADMP C[C@@H]1COCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000399302352 711426895 /nfs/dbraw/zinc/42/68/95/711426895.db2.gz JKWQUYJVYYQNOQ-LBPRGKRZSA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000721969935 710695382 /nfs/dbraw/zinc/69/53/82/710695382.db2.gz FOTIIUGGEGWOEH-KPWCQOOUSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000392645035 711150455 /nfs/dbraw/zinc/15/04/55/711150455.db2.gz RADFWXWGXKPCIK-ZYHUDNBSSA-N 2 1 235.331 1.360 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCCCO ZINC000396617556 711362133 /nfs/dbraw/zinc/36/21/33/711362133.db2.gz GTAYKFQEPSHDAV-NWDGAFQWSA-N 2 1 214.353 1.269 20 0 BDADMP CSC[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000400003585 711437717 /nfs/dbraw/zinc/43/77/17/711437717.db2.gz PSQQZBLUQZHTNE-GFCCVEGCSA-N 2 1 228.405 1.956 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000717970603 711492836 /nfs/dbraw/zinc/49/28/36/711492836.db2.gz PJDNLNZBPHGHRR-NDBYEHHHSA-N 2 1 226.364 1.613 20 0 BDADMP Cc1ccncc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000234330782 711530285 /nfs/dbraw/zinc/53/02/85/711530285.db2.gz GRWZLPODXUQQIC-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccncc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000234330782 711530287 /nfs/dbraw/zinc/53/02/87/711530287.db2.gz GRWZLPODXUQQIC-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP CC(C)c1noc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723713435 711535301 /nfs/dbraw/zinc/53/53/01/711535301.db2.gz PRGWWSMJRFDWON-SNVBAGLBSA-N 2 1 238.335 1.364 20 0 BDADMP CC(C)c1noc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723713435 711535302 /nfs/dbraw/zinc/53/53/02/711535302.db2.gz PRGWWSMJRFDWON-SNVBAGLBSA-N 2 1 238.335 1.364 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000723711553 711536096 /nfs/dbraw/zinc/53/60/96/711536096.db2.gz DGHZTOHQOYPSBB-SNVBAGLBSA-N 2 1 239.750 1.906 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1CC[NH3+] ZINC000723886009 711543526 /nfs/dbraw/zinc/54/35/26/711543526.db2.gz FXPIKIPVLYKPHN-DGCLKSJQSA-N 2 1 226.364 1.330 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000715455544 711547137 /nfs/dbraw/zinc/54/71/37/711547137.db2.gz BCGYEWQVFMXNIP-QCLAVDOMSA-N 2 1 216.275 1.311 20 0 BDADMP Cc1cn(C)nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000723965950 711548277 /nfs/dbraw/zinc/54/82/77/711548277.db2.gz ZIVOSIVMPDGYBB-YNEHKIRRSA-N 2 1 248.374 1.288 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000723965950 711548278 /nfs/dbraw/zinc/54/82/78/711548278.db2.gz ZIVOSIVMPDGYBB-YNEHKIRRSA-N 2 1 248.374 1.288 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000125137996 711608193 /nfs/dbraw/zinc/60/81/93/711608193.db2.gz OJXXHZWCEPCBRN-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)C(C)C ZINC000721915167 711694294 /nfs/dbraw/zinc/69/42/94/711694294.db2.gz UDXBEBARNXRJAE-NEPJUHHUSA-N 2 1 214.353 1.186 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000721928803 711694558 /nfs/dbraw/zinc/69/45/58/711694558.db2.gz VQDLSSMZUJPJGR-LPWJVIDDSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925548663 711700259 /nfs/dbraw/zinc/70/02/59/711700259.db2.gz DAWAOHMLOFEQCR-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH+](C)C1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925711456 711711280 /nfs/dbraw/zinc/71/12/80/711711280.db2.gz ZFUYROWIYSCVSX-WXRRBKDZSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000925711353 711711386 /nfs/dbraw/zinc/71/13/86/711711386.db2.gz MUEKDYJCQJPCDP-NWDGAFQWSA-N 3 1 213.369 1.236 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccn1 ZINC000925711924 711711766 /nfs/dbraw/zinc/71/17/66/711711766.db2.gz GCBYXBPCYINKIT-WCQYABFASA-N 2 1 233.359 1.915 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000334483907 711717008 /nfs/dbraw/zinc/71/70/08/711717008.db2.gz YYPZUWVTFNXLEY-CYBMUJFWSA-N 2 1 248.374 1.719 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000125138253 711717640 /nfs/dbraw/zinc/71/76/40/711717640.db2.gz OJXXHZWCEPCBRN-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257640200 711720889 /nfs/dbraw/zinc/72/08/89/711720889.db2.gz APNDVFLSEQSNLE-NWDGAFQWSA-N 2 1 226.389 1.567 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257640200 711720890 /nfs/dbraw/zinc/72/08/90/711720890.db2.gz APNDVFLSEQSNLE-NWDGAFQWSA-N 2 1 226.389 1.567 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000925759810 711735877 /nfs/dbraw/zinc/73/58/77/711735877.db2.gz HUWLRUDPOAWWRZ-CHWSQXEVSA-N 3 1 239.407 1.707 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875451 711761598 /nfs/dbraw/zinc/76/15/98/711761598.db2.gz HKZBKSFZQKSYKA-GDPRMGEGSA-N 2 1 222.336 1.496 20 0 BDADMP CC(C)[C@H]([NH3+])c1noc([C@H]2CC[N@@H+](C)C2)n1 ZINC000721349930 711803057 /nfs/dbraw/zinc/80/30/57/711803057.db2.gz IPTKGSBPOAANKM-IUCAKERBSA-N 2 1 224.308 1.145 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000160072850 711805679 /nfs/dbraw/zinc/80/56/79/711805679.db2.gz OWWNIOOTTFONQO-LLVKDONJSA-N 2 1 220.316 1.563 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000229084087 711837590 /nfs/dbraw/zinc/83/75/90/711837590.db2.gz OQJWCQZFKBXCLG-AEGPPILISA-N 2 1 248.370 1.637 20 0 BDADMP CCc1cc(N[C@H]2CCC[NH2+][C@H]2C)nc(C)[nH+]1 ZINC000229599762 711838598 /nfs/dbraw/zinc/83/85/98/711838598.db2.gz AXGJAOLMNIRMLG-CABZTGNLSA-N 2 1 234.347 1.900 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000721914693 711918129 /nfs/dbraw/zinc/91/81/29/711918129.db2.gz RSSWASXJPCESMN-MJBXVCDLSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000721914693 711918130 /nfs/dbraw/zinc/91/81/30/711918130.db2.gz RSSWASXJPCESMN-MJBXVCDLSA-N 2 1 240.391 1.731 20 0 BDADMP COCC(C)(C)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000700599603 711999978 /nfs/dbraw/zinc/99/99/78/711999978.db2.gz FQNJYNKZRJXOHE-UHFFFAOYSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000700793546 712004923 /nfs/dbraw/zinc/00/49/23/712004923.db2.gz RQJOFLPLRWJURF-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H]1C ZINC000700791423 712004969 /nfs/dbraw/zinc/00/49/69/712004969.db2.gz KDHXTAOFFCFRCM-RQJABVFESA-N 2 1 240.391 1.731 20 0 BDADMP C[N@H+]1C[C@@H]2CN(CCC[NH2+]C3CC3)C[C@]2(C)C1 ZINC000702313032 712043972 /nfs/dbraw/zinc/04/39/72/712043972.db2.gz XBQKHKORKAZHPH-OCCSQVGLSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCCCCO)C[C@]2(C)C1 ZINC000702284785 712044720 /nfs/dbraw/zinc/04/47/20/712044720.db2.gz NXCDPDGZCYQJQK-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCCCO)C[C@]2(C)C1 ZINC000702284785 712044721 /nfs/dbraw/zinc/04/47/21/712044721.db2.gz NXCDPDGZCYQJQK-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000703855413 712090804 /nfs/dbraw/zinc/09/08/04/712090804.db2.gz LUKKIOZBLHVARG-WXRRBKDZSA-N 2 1 224.348 1.097 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2CC(OC)C2)C1 ZINC000703867411 712091847 /nfs/dbraw/zinc/09/18/47/712091847.db2.gz WTLMJUDEUHDGMF-PNESKVBLSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000704774343 712116559 /nfs/dbraw/zinc/11/65/59/712116559.db2.gz WFAZRVRGIDSNBM-SRVKXCTJSA-N 2 1 228.405 1.860 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](CCCCO)C[C@@]2(C)C1 ZINC000705659366 712135227 /nfs/dbraw/zinc/13/52/27/712135227.db2.gz NFCNMKOHFRDFPR-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]([NH3+])CC(F)F ZINC000706419299 712145970 /nfs/dbraw/zinc/14/59/70/712145970.db2.gz ZKOXBZDFIWACGX-IWSPIJDZSA-N 2 1 206.280 1.842 20 0 BDADMP C[N@@H+](CCn1cccn1)C[C@H]1CCCC[NH2+]C1 ZINC000707494289 712172511 /nfs/dbraw/zinc/17/25/11/712172511.db2.gz FIPDHIADFULEFQ-ZDUSSCGKSA-N 2 1 236.363 1.205 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000707874144 712180522 /nfs/dbraw/zinc/18/05/22/712180522.db2.gz ZZAKUFFYOFMEAL-AGIUHOORSA-N 2 1 226.364 1.031 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000708334272 712188001 /nfs/dbraw/zinc/18/80/01/712188001.db2.gz YONPXMBQMGMQHN-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708332116 712188200 /nfs/dbraw/zinc/18/82/00/712188200.db2.gz PHLCUMQOWMGDJD-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000708347565 712189857 /nfs/dbraw/zinc/18/98/57/712189857.db2.gz JQQPAVHQDURORB-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000708371705 712191401 /nfs/dbraw/zinc/19/14/01/712191401.db2.gz ZBUFYAAXGKJCIF-GFCCVEGCSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H](O)[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000709414407 712221458 /nfs/dbraw/zinc/22/14/58/712221458.db2.gz JHVCLUMBCUTJLR-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)O1 ZINC000709789042 712226699 /nfs/dbraw/zinc/22/66/99/712226699.db2.gz GAZYNNXUQWRZSC-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccncc1)C2 ZINC000709822286 712228791 /nfs/dbraw/zinc/22/87/91/712228791.db2.gz GHHZGPKPWHMDSF-XQQFMLRXSA-N 2 1 217.316 1.393 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709997680 712238807 /nfs/dbraw/zinc/23/88/07/712238807.db2.gz UTFXYASRJWACCB-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709997680 712238808 /nfs/dbraw/zinc/23/88/08/712238808.db2.gz UTFXYASRJWACCB-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)C1 ZINC000710326349 712252232 /nfs/dbraw/zinc/25/22/32/712252232.db2.gz VYJRAGPINRDKJR-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710621746 712264046 /nfs/dbraw/zinc/26/40/46/712264046.db2.gz YEHQVFDGUUCBCB-VIFPVBQESA-N 2 1 211.334 1.281 20 0 BDADMP COC1(OC)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000710956392 712267799 /nfs/dbraw/zinc/26/77/99/712267799.db2.gz FORYRNSRRPEXPP-VXGBXAGGSA-N 2 1 242.363 1.069 20 0 BDADMP COC1(OC)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000710956392 712267800 /nfs/dbraw/zinc/26/78/00/712267800.db2.gz FORYRNSRRPEXPP-VXGBXAGGSA-N 2 1 242.363 1.069 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711046882 712276560 /nfs/dbraw/zinc/27/65/60/712276560.db2.gz IEDKJVAOWSXHES-CRWXNKLISA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711046882 712276562 /nfs/dbraw/zinc/27/65/62/712276562.db2.gz IEDKJVAOWSXHES-CRWXNKLISA-N 2 1 238.375 1.221 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000711110252 712281414 /nfs/dbraw/zinc/28/14/14/712281414.db2.gz PCDKUMJLPNSCCS-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000711110252 712281417 /nfs/dbraw/zinc/28/14/17/712281417.db2.gz PCDKUMJLPNSCCS-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP FC[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000711416554 712299068 /nfs/dbraw/zinc/29/90/68/712299068.db2.gz OYMTYPMFOIFFDX-SNVBAGLBSA-N 2 1 200.301 1.420 20 0 BDADMP FC[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000711456750 712305034 /nfs/dbraw/zinc/30/50/34/712305034.db2.gz UBLUKNRHUGKIRX-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOC1CC1 ZINC000711732677 712320684 /nfs/dbraw/zinc/32/06/84/712320684.db2.gz RSGYUVQSNQDHTR-ZYHUDNBSSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCOC1CC1 ZINC000711732677 712320686 /nfs/dbraw/zinc/32/06/86/712320686.db2.gz RSGYUVQSNQDHTR-ZYHUDNBSSA-N 2 1 212.337 1.367 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923480363 712334977 /nfs/dbraw/zinc/33/49/77/712334977.db2.gz XUXLUVCSXBZRMU-DZGCQCFKSA-N 2 1 248.370 1.699 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000379007785 712367957 /nfs/dbraw/zinc/36/79/57/712367957.db2.gz IFYCWOKJZFYWCS-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](CO)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000379007785 712367958 /nfs/dbraw/zinc/36/79/58/712367958.db2.gz IFYCWOKJZFYWCS-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCCCCF)C1 ZINC000379503509 712386255 /nfs/dbraw/zinc/38/62/55/712386255.db2.gz OHFBPQBRGCDZEJ-NSHDSACASA-N 2 1 202.317 1.797 20 0 BDADMP C[N@H+]1CCCN(CCC[NH2+]CC2CC2)CC1 ZINC000381344555 712396128 /nfs/dbraw/zinc/39/61/28/712396128.db2.gz YOEJURINGDTUKB-UHFFFAOYSA-N 2 1 225.380 1.014 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]c(C)c1Cl ZINC000712571069 712447779 /nfs/dbraw/zinc/44/77/79/712447779.db2.gz VGDZKQVMBXSGGQ-SNVBAGLBSA-N 2 1 239.750 1.971 20 0 BDADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]c(C)c1Cl ZINC000712571069 712447780 /nfs/dbraw/zinc/44/77/80/712447780.db2.gz VGDZKQVMBXSGGQ-SNVBAGLBSA-N 2 1 239.750 1.971 20 0 BDADMP C(C[N@@H+]1CC[NH2+]CCC12CCC2)OC1CC1 ZINC000713263314 712457352 /nfs/dbraw/zinc/45/73/52/712457352.db2.gz QDLRVVHPWYQKMX-UHFFFAOYSA-N 2 1 224.348 1.383 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000713749529 712471106 /nfs/dbraw/zinc/47/11/06/712471106.db2.gz QQLUNSIUBFGHFI-XGACYXMMSA-N 2 1 235.375 1.098 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714831017 712500960 /nfs/dbraw/zinc/50/09/60/712500960.db2.gz NAMANZCZXPUQLW-RYDUCSDGSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714831017 712500962 /nfs/dbraw/zinc/50/09/62/712500962.db2.gz NAMANZCZXPUQLW-RYDUCSDGSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715421957 712518371 /nfs/dbraw/zinc/51/83/71/712518371.db2.gz DKCRZJWMJRFSFD-ZRJCITRHSA-N 2 1 238.375 1.471 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715509180 712524225 /nfs/dbraw/zinc/52/42/25/712524225.db2.gz MIUQNUNEVZQLKV-YUTCNCBUSA-N 2 1 238.375 1.615 20 0 BDADMP CCC[NH+]1CCC([NH2+]CC2(C)OCCO2)CC1 ZINC000716794675 712574030 /nfs/dbraw/zinc/57/40/30/712574030.db2.gz JBQBGFDHXQTQHZ-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CC[C@H](C[C@@H](C)O)[NH2+]C1CC[NH+](C)CC1 ZINC000716944972 712598489 /nfs/dbraw/zinc/59/84/89/712598489.db2.gz NWKNWSRJGRGDQT-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000379891514 712621004 /nfs/dbraw/zinc/62/10/04/712621004.db2.gz ANNAOOXGGTUIDU-UWVGGRQHSA-N 2 1 220.307 1.947 20 0 BDADMP CC(C)[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000379891514 712621002 /nfs/dbraw/zinc/62/10/02/712621002.db2.gz ANNAOOXGGTUIDU-UWVGGRQHSA-N 2 1 220.307 1.947 20 0 BDADMP CC(C)[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000379891513 712621010 /nfs/dbraw/zinc/62/10/10/712621010.db2.gz ANNAOOXGGTUIDU-NXEZZACHSA-N 2 1 220.307 1.947 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000379891513 712621011 /nfs/dbraw/zinc/62/10/11/712621011.db2.gz ANNAOOXGGTUIDU-NXEZZACHSA-N 2 1 220.307 1.947 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717370382 712652463 /nfs/dbraw/zinc/65/24/63/712652463.db2.gz CZIQWUIOCRVRHM-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP C1CC1[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925495414 712698638 /nfs/dbraw/zinc/69/86/38/712698638.db2.gz NGHNQCLHGOSVHA-GXTWGEPZSA-N 2 1 249.402 1.487 20 0 BDADMP COCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000045019129 712721613 /nfs/dbraw/zinc/72/16/13/712721613.db2.gz ZJZNEGJDHFYHJC-JTQLQIEISA-N 2 1 200.326 1.095 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000719755230 712822626 /nfs/dbraw/zinc/82/26/26/712822626.db2.gz KADCGFQSDDLWKU-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@H]1CCOC1 ZINC000250811732 712834940 /nfs/dbraw/zinc/83/49/40/712834940.db2.gz UTCSNLJOYZSOLR-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000720415088 712841251 /nfs/dbraw/zinc/84/12/51/712841251.db2.gz KODATGCFFGSPCO-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C)C[N@H+](C[C@H]2CCSC2)C[C@H]1[NH3+] ZINC000720742648 712863047 /nfs/dbraw/zinc/86/30/47/712863047.db2.gz STNJPAPXTIOEKW-NXEZZACHSA-N 2 1 214.378 1.409 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCSC2)C[C@H]1[NH3+] ZINC000720742648 712863049 /nfs/dbraw/zinc/86/30/49/712863049.db2.gz STNJPAPXTIOEKW-NXEZZACHSA-N 2 1 214.378 1.409 20 0 BDADMP CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720869951 712871732 /nfs/dbraw/zinc/87/17/32/712871732.db2.gz AHEGJGOCWWIQKH-YIZRAAEISA-N 2 1 224.270 1.854 20 0 BDADMP CC(C)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720869071 712872000 /nfs/dbraw/zinc/87/20/00/712872000.db2.gz CBAWWBCUWDSMBP-JGVFFNPUSA-N 2 1 210.243 1.464 20 0 BDADMP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H](C[NH3+])C1CC1 ZINC000720870744 712872052 /nfs/dbraw/zinc/87/20/52/712872052.db2.gz LGZXCYJQUPOEPW-XUXIUFHCSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H](C[NH3+])C1CC1 ZINC000720870744 712872055 /nfs/dbraw/zinc/87/20/55/712872055.db2.gz LGZXCYJQUPOEPW-XUXIUFHCSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@H](C[NH3+])C1CC1 ZINC000720870742 712872144 /nfs/dbraw/zinc/87/21/44/712872144.db2.gz LGZXCYJQUPOEPW-IGQOVBAYSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@H](C[NH3+])C1CC1 ZINC000720870742 712872146 /nfs/dbraw/zinc/87/21/46/712872146.db2.gz LGZXCYJQUPOEPW-IGQOVBAYSA-N 2 1 238.375 1.613 20 0 BDADMP Cc1[nH+]ccn1CCCN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720937881 712880714 /nfs/dbraw/zinc/88/07/14/712880714.db2.gz STTWOIPSFAOWDI-KGLIPLIRSA-N 2 1 248.374 1.408 20 0 BDADMP C[C@@H]1CC[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC000399027807 958494173 /nfs/dbraw/zinc/49/41/73/958494173.db2.gz IBQLZKHZFJXZLF-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[NH2+]1 ZINC000399273899 958595529 /nfs/dbraw/zinc/59/55/29/958595529.db2.gz VACRGMDPPSXIOJ-BBBLOLIVSA-N 2 1 218.291 1.904 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000695655921 960327266 /nfs/dbraw/zinc/32/72/66/960327266.db2.gz OLYCUYUBTZTVHL-CQSZACIVSA-N 3 1 239.407 1.533 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000695655921 960327274 /nfs/dbraw/zinc/32/72/74/960327274.db2.gz OLYCUYUBTZTVHL-CQSZACIVSA-N 2 1 239.407 1.533 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000695655921 960327279 /nfs/dbraw/zinc/32/72/79/960327279.db2.gz OLYCUYUBTZTVHL-CQSZACIVSA-N 2 1 239.407 1.533 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000709406951 960580833 /nfs/dbraw/zinc/58/08/33/960580833.db2.gz NOSXYCJBSKBCAQ-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP CCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268760633 962336258 /nfs/dbraw/zinc/33/62/58/962336258.db2.gz WOVBUVBDSZPYDN-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001268760633 962336266 /nfs/dbraw/zinc/33/62/66/962336266.db2.gz WOVBUVBDSZPYDN-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001268760633 962336285 /nfs/dbraw/zinc/33/62/85/962336285.db2.gz WOVBUVBDSZPYDN-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)C[NH+](C)C ZINC000926958899 964525582 /nfs/dbraw/zinc/52/55/82/964525582.db2.gz IGJWZCBECPDSIH-MGPQQGTHSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1ccnc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205094659 965729590 /nfs/dbraw/zinc/72/95/90/965729590.db2.gz NSPSRXAYDPQHSY-GFCCVEGCSA-N 2 1 219.332 1.703 20 0 BDADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236170629 966288608 /nfs/dbraw/zinc/28/86/08/966288608.db2.gz XLIDIUYKOBETJZ-QWHCGFSZSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236170629 966288621 /nfs/dbraw/zinc/28/86/21/966288621.db2.gz XLIDIUYKOBETJZ-QWHCGFSZSA-N 2 1 242.407 1.987 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2cnccc2C1 ZINC001204848800 967200713 /nfs/dbraw/zinc/20/07/13/967200713.db2.gz UNELUMLJWMGHQW-UHFFFAOYSA-N 2 1 205.305 1.179 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cscn2)CC1 ZINC001205559997 967696326 /nfs/dbraw/zinc/69/63/26/967696326.db2.gz XZDLDDJHDKHXSA-NSHDSACASA-N 2 1 243.351 1.796 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cscn2)CC1 ZINC001205559997 967696330 /nfs/dbraw/zinc/69/63/30/967696330.db2.gz XZDLDDJHDKHXSA-NSHDSACASA-N 2 1 243.351 1.796 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnco2)CC[C@H]1C[NH3+] ZINC001205627607 967738369 /nfs/dbraw/zinc/73/83/69/967738369.db2.gz RDLHOQYTZBBGRH-QWRGUYRKSA-N 2 1 223.320 1.481 20 0 BDADMP COC1CC(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000703882325 967882028 /nfs/dbraw/zinc/88/20/28/967882028.db2.gz FOTIIUGGEGWOEH-LLZFXZEUSA-N 2 1 238.375 1.343 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)s1 ZINC001206468945 968326257 /nfs/dbraw/zinc/32/62/57/968326257.db2.gz MLEZFMUUISWGHU-NWDGAFQWSA-N 2 1 240.372 1.116 20 0 BDADMP C[C@H](O)C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001251961950 968397052 /nfs/dbraw/zinc/39/70/52/968397052.db2.gz UNCNUPDXKNDCBX-NSHDSACASA-N 2 1 244.354 1.266 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](O)COCC ZINC001252032245 968452030 /nfs/dbraw/zinc/45/20/30/968452030.db2.gz GQTATOKXCCLEMT-ZDUSSCGKSA-N 2 1 246.395 1.048 20 0 BDADMP CCCC[C@@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001252097645 968578376 /nfs/dbraw/zinc/57/83/76/968578376.db2.gz QTYBMPOUZMWYNT-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CCCC[C@@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001252097645 968578383 /nfs/dbraw/zinc/57/83/83/968578383.db2.gz QTYBMPOUZMWYNT-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001252098904 968582125 /nfs/dbraw/zinc/58/21/25/968582125.db2.gz XIJJPGJTDRXJOZ-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@]1(C)O ZINC001207274723 968705721 /nfs/dbraw/zinc/70/57/21/968705721.db2.gz FLJCGBICZACDLV-OCCSQVGLSA-N 2 1 242.407 1.667 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001207391722 968745788 /nfs/dbraw/zinc/74/57/88/968745788.db2.gz NLAJGLQOBFNVIO-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC1(F)F ZINC001207436513 968768244 /nfs/dbraw/zinc/76/82/44/968768244.db2.gz LEAPFKOUFSRSOY-SNVBAGLBSA-N 2 1 232.318 1.963 20 0 BDADMP CC(C)N(C)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207440879 968774304 /nfs/dbraw/zinc/77/43/04/968774304.db2.gz IWEOYWYLVPSPDS-CQSZACIVSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@H+](C)[C@@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC001207440879 968774315 /nfs/dbraw/zinc/77/43/15/968774315.db2.gz IWEOYWYLVPSPDS-CQSZACIVSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC001207440879 968774324 /nfs/dbraw/zinc/77/43/24/968774324.db2.gz IWEOYWYLVPSPDS-CQSZACIVSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCOC3(CC3)C2)CC1 ZINC001208111335 969008509 /nfs/dbraw/zinc/00/85/09/969008509.db2.gz KIGUJQWSOMQESQ-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+](C)CC1(C[N@H+](C)[C@H]2CCOC2)CCCC1 ZINC001208189648 969119091 /nfs/dbraw/zinc/11/90/91/969119091.db2.gz XJHPHJPBSJSNPV-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)CC1(C[N@@H+](C)[C@H]2CCOC2)CCCC1 ZINC001208189648 969119095 /nfs/dbraw/zinc/11/90/95/969119095.db2.gz XJHPHJPBSJSNPV-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCC23COC3)CC1 ZINC001208597293 969151736 /nfs/dbraw/zinc/15/17/36/969151736.db2.gz FSZIRASFZUITMG-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CCCO1 ZINC001208605092 969157617 /nfs/dbraw/zinc/15/76/17/969157617.db2.gz YMZJTZUPPOWDEU-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC001208605092 969157622 /nfs/dbraw/zinc/15/76/22/969157622.db2.gz YMZJTZUPPOWDEU-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC001208605092 969157626 /nfs/dbraw/zinc/15/76/26/969157626.db2.gz YMZJTZUPPOWDEU-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607595 969163735 /nfs/dbraw/zinc/16/37/35/969163735.db2.gz LPXPEJFECMWVDU-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607595 969163742 /nfs/dbraw/zinc/16/37/42/969163742.db2.gz LPXPEJFECMWVDU-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607595 969163750 /nfs/dbraw/zinc/16/37/50/969163750.db2.gz LPXPEJFECMWVDU-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](C)C[C@@H]1CCCN1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208608010 969166310 /nfs/dbraw/zinc/16/63/10/969166310.db2.gz FCVSASGANSMMAX-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)CC[C@H]1O ZINC001208609152 969165818 /nfs/dbraw/zinc/16/58/18/969165818.db2.gz YPAQAQFEDLWGQK-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC[C@H]1O ZINC001208609152 969165823 /nfs/dbraw/zinc/16/58/23/969165823.db2.gz YPAQAQFEDLWGQK-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC[C@H]1O ZINC001208609152 969165827 /nfs/dbraw/zinc/16/58/27/969165827.db2.gz YPAQAQFEDLWGQK-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C(C)C ZINC001208610061 969171558 /nfs/dbraw/zinc/17/15/58/969171558.db2.gz YFLYYTJZCNVQMO-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C(C)C ZINC001208610061 969171567 /nfs/dbraw/zinc/17/15/67/969171567.db2.gz YFLYYTJZCNVQMO-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC001208610061 969171571 /nfs/dbraw/zinc/17/15/71/969171571.db2.gz YFLYYTJZCNVQMO-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC001208610061 969171577 /nfs/dbraw/zinc/17/15/77/969171577.db2.gz YFLYYTJZCNVQMO-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP CO[C@H](C)C1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208616570 969173614 /nfs/dbraw/zinc/17/36/14/969173614.db2.gz KFVSRPZORIOAKR-VXGBXAGGSA-N 2 1 226.364 1.295 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](O)C(C)C ZINC001253766816 969388580 /nfs/dbraw/zinc/38/85/80/969388580.db2.gz FBKWLHCQFSVLJD-ZDUSSCGKSA-N 2 1 230.396 1.667 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)CCOC ZINC001209215026 969400641 /nfs/dbraw/zinc/40/06/41/969400641.db2.gz LQACLDVMYNOKOA-UHFFFAOYSA-N 2 1 202.342 1.297 20 0 BDADMP CCN(CC[NH+](C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125333 969424183 /nfs/dbraw/zinc/42/41/83/969424183.db2.gz ZHUYRKJWZBKJFD-WDNDVIMCSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1CO)C2 ZINC001169125374 969428044 /nfs/dbraw/zinc/42/80/44/969428044.db2.gz HJWCUPWCAMKZEW-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1CO)C2 ZINC001169125374 969428050 /nfs/dbraw/zinc/42/80/50/969428050.db2.gz HJWCUPWCAMKZEW-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1CO)C2 ZINC001169125374 969428052 /nfs/dbraw/zinc/42/80/52/969428052.db2.gz HJWCUPWCAMKZEW-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1CO)C2 ZINC001169125374 969428056 /nfs/dbraw/zinc/42/80/56/969428056.db2.gz HJWCUPWCAMKZEW-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](O)[C@H](C)C2)CC1 ZINC001169245408 969529597 /nfs/dbraw/zinc/52/95/97/969529597.db2.gz CTVPPEVDJHRNCE-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H](O)[C@H](C)C2)CC1 ZINC001169245408 969529605 /nfs/dbraw/zinc/52/96/05/969529605.db2.gz CTVPPEVDJHRNCE-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CCN1CCC([N@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001169246544 969533471 /nfs/dbraw/zinc/53/34/71/969533471.db2.gz SKVSIQDTPWNTHB-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC1 ZINC001254498418 969657351 /nfs/dbraw/zinc/65/73/51/969657351.db2.gz ZRWJFYATCSZFOX-MELADBBJSA-N 2 1 240.391 1.754 20 0 BDADMP COCC[N@@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254516019 969693010 /nfs/dbraw/zinc/69/30/10/969693010.db2.gz IPQRNODWMGWVGF-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP COCC[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254516019 969693016 /nfs/dbraw/zinc/69/30/16/969693016.db2.gz IPQRNODWMGWVGF-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP COCC[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254516019 969693020 /nfs/dbraw/zinc/69/30/20/969693020.db2.gz IPQRNODWMGWVGF-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517078 969703568 /nfs/dbraw/zinc/70/35/68/969703568.db2.gz RXZHOUIGHSHCMG-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254517078 969703581 /nfs/dbraw/zinc/70/35/81/969703581.db2.gz RXZHOUIGHSHCMG-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517078 969703584 /nfs/dbraw/zinc/70/35/84/969703584.db2.gz RXZHOUIGHSHCMG-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC3(CCC3)C2)CC1 ZINC001254521287 969706114 /nfs/dbraw/zinc/70/61/14/969706114.db2.gz UUVOQKSLBYCTCS-LBPRGKRZSA-N 2 1 208.349 1.957 20 0 BDADMP CO[C@H](C)C1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532106 969733588 /nfs/dbraw/zinc/73/35/88/969733588.db2.gz PDCFXONGLUDKDZ-YPMHNXCESA-N 2 1 226.364 1.437 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255287146 970044620 /nfs/dbraw/zinc/04/46/20/970044620.db2.gz VRRNQLFCKNCYJS-GRYCIOLGSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255287146 970044628 /nfs/dbraw/zinc/04/46/28/970044628.db2.gz VRRNQLFCKNCYJS-GRYCIOLGSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255287146 970044640 /nfs/dbraw/zinc/04/46/40/970044640.db2.gz VRRNQLFCKNCYJS-GRYCIOLGSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+](C)C1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001255480146 970216059 /nfs/dbraw/zinc/21/60/59/970216059.db2.gz BHJZWWCKZPLGIC-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC1OCCO1 ZINC001255945658 970575183 /nfs/dbraw/zinc/57/51/83/970575183.db2.gz HRDLXQNWWFUQQY-NSHDSACASA-N 2 1 230.352 1.069 20 0 BDADMP CC[NH+](CC)CC[C@H](C)N1CCC[N@@H+](C)CC1 ZINC001255955393 970586813 /nfs/dbraw/zinc/58/68/13/970586813.db2.gz SBXITTZWWQKOPB-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001255957048 970595510 /nfs/dbraw/zinc/59/55/10/970595510.db2.gz OLPPPDPFBLYFAC-YNEHKIRRSA-N 2 1 246.370 1.512 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001255957048 970595524 /nfs/dbraw/zinc/59/55/24/970595524.db2.gz OLPPPDPFBLYFAC-YNEHKIRRSA-N 2 1 246.370 1.512 20 0 BDADMP C[NH+]1CC(CNc2cc(Cl)cc(N)[nH+]2)C1 ZINC001170252034 970657829 /nfs/dbraw/zinc/65/78/29/970657829.db2.gz FYFHNCJQKJFWCZ-UHFFFAOYSA-N 2 1 226.711 1.291 20 0 BDADMP COC1(C)CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256202450 970701684 /nfs/dbraw/zinc/70/16/84/970701684.db2.gz DYNXUGYRJKCZJC-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@@]1(C)O ZINC001256203308 970707251 /nfs/dbraw/zinc/70/72/51/970707251.db2.gz VHLNKZOZLQKUMB-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@@]1(C)O ZINC001256203308 970707255 /nfs/dbraw/zinc/70/72/55/970707255.db2.gz VHLNKZOZLQKUMB-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)CC1 ZINC001256208497 970714482 /nfs/dbraw/zinc/71/44/82/970714482.db2.gz KCWNLGACFXTKKC-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)CC1 ZINC001256208497 970714493 /nfs/dbraw/zinc/71/44/93/970714493.db2.gz KCWNLGACFXTKKC-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)CC[C@H](C)[N@H+](CC[NH3+])CCO ZINC001256352388 970750794 /nfs/dbraw/zinc/75/07/94/970750794.db2.gz HJSRIGZQMYRQBM-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP CC(C)CC[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001256352388 970750802 /nfs/dbraw/zinc/75/08/02/970750802.db2.gz HJSRIGZQMYRQBM-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)O ZINC001335413252 977039630 /nfs/dbraw/zinc/03/96/30/977039630.db2.gz OISYTGSSHKVNFM-NEPJUHHUSA-N 2 1 216.369 1.323 20 0 BDADMP CC[C@@H](C)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070171 977255110 /nfs/dbraw/zinc/25/51/10/977255110.db2.gz LIJODDKFWIIBLA-FHUSYTEZSA-N 2 1 210.365 1.913 20 0 BDADMP CC[C@@H](C)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070171 977255124 /nfs/dbraw/zinc/25/51/24/977255124.db2.gz LIJODDKFWIIBLA-FHUSYTEZSA-N 2 1 210.365 1.913 20 0 BDADMP CCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001336764190 977929595 /nfs/dbraw/zinc/92/95/95/977929595.db2.gz WGTRJIYQSPQKDV-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001339669936 978891071 /nfs/dbraw/zinc/89/10/71/978891071.db2.gz JASBBNPYKYJREA-ZOBORPQBSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH+]1CCC[C@@]2(CCC[N@H+](C3CC3)C2)C1 ZINC001277921912 978974565 /nfs/dbraw/zinc/97/45/65/978974565.db2.gz HSWYHXIWWUEMQY-CYBMUJFWSA-N 2 1 208.349 1.957 20 0 BDADMP COC[C@@]12CCC[C@@H]1C[N@@H+](CCCC[NH3+])C2 ZINC001235570746 979095456 /nfs/dbraw/zinc/09/54/56/979095456.db2.gz RYWJASLVJWANKZ-OLZOCXBDSA-N 2 1 226.364 1.474 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC3(CCC3)C2)O1 ZINC001235919154 979202486 /nfs/dbraw/zinc/20/24/86/979202486.db2.gz UVCRAZAFJOMMDP-NSHDSACASA-N 2 1 224.348 1.587 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC3(CCC3)C2)O1 ZINC001235919154 979202495 /nfs/dbraw/zinc/20/24/95/979202495.db2.gz UVCRAZAFJOMMDP-NSHDSACASA-N 2 1 224.348 1.587 20 0 BDADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237173239 979826990 /nfs/dbraw/zinc/82/69/90/979826990.db2.gz OFHBRPFMYVBFLF-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP CCCC[C@H](CC)C[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237173239 979827008 /nfs/dbraw/zinc/82/70/08/979827008.db2.gz OFHBRPFMYVBFLF-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP C[NH+]1CCC([NH2+]C2CC3(CC3(F)F)C2)CC1 ZINC001347355370 981056323 /nfs/dbraw/zinc/05/63/23/981056323.db2.gz CWFALXKARPUJMS-UHFFFAOYSA-N 2 1 230.302 1.858 20 0 BDADMP CC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201581179 983341911 /nfs/dbraw/zinc/34/19/11/983341911.db2.gz PQERXCADRCZNPW-UHFFFAOYSA-N 2 1 211.309 1.136 20 0 BDADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201710707 983418879 /nfs/dbraw/zinc/41/88/79/983418879.db2.gz OOHVPKKQYRMOFT-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CCCCCC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001201753850 983454929 /nfs/dbraw/zinc/45/49/29/983454929.db2.gz CWQQPOLGCDSXRD-UHFFFAOYSA-N 2 1 241.423 1.746 20 0 BDADMP CCCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001252108194 983668220 /nfs/dbraw/zinc/66/82/20/983668220.db2.gz MPPXNWIMUIFBFT-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP COC(=O)CC(C)(C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC001327414957 972570761 /nfs/dbraw/zinc/57/07/61/972570761.db2.gz GLAXDLMXPHJLBN-NSHDSACASA-N 2 1 244.379 1.633 20 0 BDADMP C[N@@H+]1CCC[C@H](N2CCC(F)(F)[C@H]([NH3+])C2)CC1 ZINC001246579620 972902596 /nfs/dbraw/zinc/90/25/96/972902596.db2.gz CKMYFRJNJRAQAF-WDEREUQCSA-N 2 1 247.333 1.139 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCC(F)(F)[C@H]([NH3+])C2)CC1 ZINC001246579620 972902615 /nfs/dbraw/zinc/90/26/15/972902615.db2.gz CKMYFRJNJRAQAF-WDEREUQCSA-N 2 1 247.333 1.139 20 0 BDADMP C[C@@H]1CC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001246580794 972926762 /nfs/dbraw/zinc/92/67/62/972926762.db2.gz FBEWRSALWMDXAM-WFFHOREQSA-N 2 1 244.354 1.704 20 0 BDADMP C[C@@H]1CC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001246580794 972926793 /nfs/dbraw/zinc/92/67/93/972926793.db2.gz FBEWRSALWMDXAM-WFFHOREQSA-N 2 1 244.354 1.704 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246581083 972947597 /nfs/dbraw/zinc/94/75/97/972947597.db2.gz XQYLRRORUJOBMW-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]C(C)(C)C[NH3+] ZINC001256397304 970802071 /nfs/dbraw/zinc/80/20/71/970802071.db2.gz QTIKOOXKKPSVSD-JTQLQIEISA-N 2 1 207.321 1.340 20 0 BDADMP C[NH+]1CC(CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256563567 970862659 /nfs/dbraw/zinc/86/26/59/970862659.db2.gz FSPPGWOYQDIMJO-UHFFFAOYSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cnccn1)CC2 ZINC001276731402 970873690 /nfs/dbraw/zinc/87/36/90/970873690.db2.gz DFAAJMHKTOCVLW-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP CCCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615107 970877830 /nfs/dbraw/zinc/87/78/30/970877830.db2.gz WISAZADYZWVBHD-RLAWYHOSSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1[C@@H]3CC[C@H]1C[NH+](C)C3)C2 ZINC001256628305 970894134 /nfs/dbraw/zinc/89/41/34/970894134.db2.gz ZVYRJZMSIMIXCI-RRIFHVCJSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CC(N1[C@@H]3CC[C@H]1C[N@@H+](C)C3)C2 ZINC001256628305 970894140 /nfs/dbraw/zinc/89/41/40/970894140.db2.gz ZVYRJZMSIMIXCI-RRIFHVCJSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CC(N1[C@@H]3CC[C@H]1C[N@H+](C)C3)C2 ZINC001256628305 970894143 /nfs/dbraw/zinc/89/41/43/970894143.db2.gz ZVYRJZMSIMIXCI-RRIFHVCJSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628305 970894163 /nfs/dbraw/zinc/89/41/63/970894163.db2.gz ZVYRJZMSIMIXCI-RRIFHVCJSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628305 970894165 /nfs/dbraw/zinc/89/41/65/970894165.db2.gz ZVYRJZMSIMIXCI-RRIFHVCJSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628305 970894170 /nfs/dbraw/zinc/89/41/70/970894170.db2.gz ZVYRJZMSIMIXCI-RRIFHVCJSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628305 970894175 /nfs/dbraw/zinc/89/41/75/970894175.db2.gz ZVYRJZMSIMIXCI-RRIFHVCJSA-N 2 1 249.402 1.390 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001256721956 970945452 /nfs/dbraw/zinc/94/54/52/970945452.db2.gz ZQJIXJNSUIDKGB-UKRRQHHQSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@@H](CO)C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898956 971010197 /nfs/dbraw/zinc/01/01/97/971010197.db2.gz BDSJBRVLIFKIPZ-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](CO)C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898956 971010209 /nfs/dbraw/zinc/01/02/09/971010209.db2.gz BDSJBRVLIFKIPZ-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP C[NH+](C)CCN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895369 971014731 /nfs/dbraw/zinc/01/47/31/971014731.db2.gz CGYPZCHNMHXHTF-ZDUSSCGKSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+](C)CCN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895369 971014745 /nfs/dbraw/zinc/01/47/45/971014745.db2.gz CGYPZCHNMHXHTF-ZDUSSCGKSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@H]1CC([NH2+]C(C)(C)C[NH3+])C[C@H](C)O1 ZINC001257073462 971084258 /nfs/dbraw/zinc/08/42/58/971084258.db2.gz NZNSJFZCDPOKJB-IUCAKERBSA-N 2 1 200.326 1.269 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC001257214295 971129070 /nfs/dbraw/zinc/12/90/70/971129070.db2.gz AAEGWMNBLHQUKT-DGCLKSJQSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC001257214295 971129073 /nfs/dbraw/zinc/12/90/73/971129073.db2.gz AAEGWMNBLHQUKT-DGCLKSJQSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@H]2CO)CC1 ZINC001257213521 971130771 /nfs/dbraw/zinc/13/07/71/971130771.db2.gz PEPXQXRCWQVCFX-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCCC[C@H]2CO)CC1 ZINC001257213521 971130776 /nfs/dbraw/zinc/13/07/76/971130776.db2.gz PEPXQXRCWQVCFX-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP COC(C)(C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000404209195 971145122 /nfs/dbraw/zinc/14/51/22/971145122.db2.gz SYKDUZSCGBMYIX-MNOVXSKESA-N 2 1 214.353 1.199 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCCCCO)[C@H]1CC[NH3+] ZINC000404401991 971157283 /nfs/dbraw/zinc/15/72/83/971157283.db2.gz RUSFISKNBYWYQF-KBPBESRZSA-N 2 1 242.407 1.988 20 0 BDADMP CCC(CC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257288816 971174804 /nfs/dbraw/zinc/17/48/04/971174804.db2.gz JAAUMPFTSGFSAV-SECBINFHSA-N 2 1 211.309 1.106 20 0 BDADMP CCC(CC)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001257301144 971188716 /nfs/dbraw/zinc/18/87/16/971188716.db2.gz REBYQUXCZLDIRL-UHFFFAOYSA-N 2 1 207.321 1.930 20 0 BDADMP CCC(CC)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001257301144 971188725 /nfs/dbraw/zinc/18/87/25/971188725.db2.gz REBYQUXCZLDIRL-UHFFFAOYSA-N 2 1 207.321 1.930 20 0 BDADMP C[C@H](C[NH+](C)C)OC[C@@H]1CCC[N@H+]1C ZINC001224817162 973994103 /nfs/dbraw/zinc/99/41/03/973994103.db2.gz IQAQZDCYGKRCDG-MNOVXSKESA-N 2 1 200.326 1.047 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC[N@H+]1C ZINC000405200764 971210213 /nfs/dbraw/zinc/21/02/13/971210213.db2.gz CPXSMZQDIUPCQD-FDYHWXHSSA-N 2 1 237.391 1.329 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n(C)n1 ZINC000405228075 971213327 /nfs/dbraw/zinc/21/33/27/971213327.db2.gz FAWDNZNLAJHIQH-RYUDHWBXSA-N 2 1 234.347 1.088 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405294280 971232286 /nfs/dbraw/zinc/23/22/86/971232286.db2.gz ZYLVHEBKLKVNJR-AVGNSLFASA-N 2 1 237.391 1.330 20 0 BDADMP C[N@H+]1CC[C@H](OCCC[NH+]2CCCCC2)C1 ZINC001224855759 974026584 /nfs/dbraw/zinc/02/65/84/974026584.db2.gz SETLPZBUGWKTPB-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP N[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000405332830 971238171 /nfs/dbraw/zinc/23/81/71/971238171.db2.gz FAFPIMWRDKEKCN-QQFIATSDSA-N 2 1 223.364 1.116 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405536947 971270700 /nfs/dbraw/zinc/27/07/00/971270700.db2.gz ZUIJSZXVQCNDAQ-RYUDHWBXSA-N 2 1 235.331 1.651 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000405751444 971302844 /nfs/dbraw/zinc/30/28/44/971302844.db2.gz LQCFHSFMGJXBHZ-CKYFFXLPSA-N 2 1 223.320 1.205 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000405795345 971305526 /nfs/dbraw/zinc/30/55/26/971305526.db2.gz UDTQHXDEMKETAR-RWMBFGLXSA-N 2 1 228.380 1.730 20 0 BDADMP CCCc1nnc([C@H]([NH3+])CCCC[NH3+])o1 ZINC001217699048 971333123 /nfs/dbraw/zinc/33/31/23/971333123.db2.gz JMTKJWAWXIPMCM-MRVPVSSYSA-N 2 1 212.297 1.151 20 0 BDADMP [NH3+]CCC[C@H]([NH3+])c1nnc(C2CCC2)o1 ZINC001217696982 971334019 /nfs/dbraw/zinc/33/40/19/971334019.db2.gz UFZORZRAEWWAQX-QMMMGPOBSA-N 2 1 210.281 1.076 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCCSC1)C2 ZINC001257682714 971486065 /nfs/dbraw/zinc/48/60/65/971486065.db2.gz IZCYTAOVJKPGLR-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217889185 971487285 /nfs/dbraw/zinc/48/72/85/971487285.db2.gz DPMASRLIEZBEQG-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP COC(=O)C1CCC([N@@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC001257858852 971503577 /nfs/dbraw/zinc/50/35/77/971503577.db2.gz WCGVGYNSUGYGLI-UNXYVOJBSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2C[C@H]2[NH3+])CC1 ZINC001171939719 974225569 /nfs/dbraw/zinc/22/55/69/974225569.db2.gz CKWZNPPTYUMQCI-QRVCZOOMSA-N 2 1 240.347 1.188 20 0 BDADMP CC1(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)CCOCC1 ZINC001206155868 974331906 /nfs/dbraw/zinc/33/19/06/974331906.db2.gz MVDXMXYAKQUMOZ-RYUDHWBXSA-N 2 1 244.354 1.564 20 0 BDADMP CC1(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCOCC1 ZINC001206155868 974331918 /nfs/dbraw/zinc/33/19/18/974331918.db2.gz MVDXMXYAKQUMOZ-RYUDHWBXSA-N 2 1 244.354 1.564 20 0 BDADMP CC1(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCOCC1 ZINC001206155868 974331931 /nfs/dbraw/zinc/33/19/31/974331931.db2.gz MVDXMXYAKQUMOZ-RYUDHWBXSA-N 2 1 244.354 1.564 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104951 974368327 /nfs/dbraw/zinc/36/83/27/974368327.db2.gz GUXOYGLZGFKDEU-ZDEQEGDKSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172314801 974522349 /nfs/dbraw/zinc/52/23/49/974522349.db2.gz DUQPYLNNCMNPOA-SRVKXCTJSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172314801 974522354 /nfs/dbraw/zinc/52/23/54/974522354.db2.gz DUQPYLNNCMNPOA-SRVKXCTJSA-N 2 1 214.353 1.613 20 0 BDADMP CCN(C)c1nc(NCC[C@@H](C)[NH3+])[nH+]cc1C ZINC001170886420 972030337 /nfs/dbraw/zinc/03/03/37/972030337.db2.gz AECVYUYCOZBQSM-SNVBAGLBSA-N 2 1 237.351 1.390 20 0 BDADMP CCCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034096 972123480 /nfs/dbraw/zinc/12/34/80/972123480.db2.gz WQIRUVIQEIAJFR-ZIAGYGMSSA-N 2 1 240.391 1.756 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034096 972123484 /nfs/dbraw/zinc/12/34/84/972123484.db2.gz WQIRUVIQEIAJFR-ZIAGYGMSSA-N 2 1 240.391 1.756 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246099413 972158207 /nfs/dbraw/zinc/15/82/07/972158207.db2.gz LTOBFBVWHUMCAP-YNEHKIRRSA-N 3 1 239.407 1.352 20 0 BDADMP Cc1nc(N)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246200317 972214854 /nfs/dbraw/zinc/21/48/54/972214854.db2.gz PTVIDFLCOAFZMI-CABZTGNLSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246203149 972217325 /nfs/dbraw/zinc/21/73/25/972217325.db2.gz QKXGGVHFZVLPLI-NDBYEHHHSA-N 3 1 225.380 1.234 20 0 BDADMP Cc1cccnc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193606447 972229444 /nfs/dbraw/zinc/22/94/44/972229444.db2.gz KFGQSVZTZRIBSD-BETUJISGSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1cccnc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193606447 972229450 /nfs/dbraw/zinc/22/94/50/972229450.db2.gz KFGQSVZTZRIBSD-BETUJISGSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1cccnc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193606447 972229455 /nfs/dbraw/zinc/22/94/55/972229455.db2.gz KFGQSVZTZRIBSD-BETUJISGSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193606447 972229462 /nfs/dbraw/zinc/22/94/62/972229462.db2.gz KFGQSVZTZRIBSD-BETUJISGSA-N 2 1 231.343 1.383 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CO)CC[NH2+]1 ZINC001246227573 972235980 /nfs/dbraw/zinc/23/59/80/972235980.db2.gz DNWQRQIBIQOPPB-SMDDNHRTSA-N 2 1 234.343 1.409 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000396634021 957095548 /nfs/dbraw/zinc/09/55/48/957095548.db2.gz HCDDZNXYCUXHCB-ZJUUUORDSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC000705288407 957072023 /nfs/dbraw/zinc/07/20/23/957072023.db2.gz HTDBGYGSGUGOQW-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC000705288407 957072043 /nfs/dbraw/zinc/07/20/43/957072043.db2.gz HTDBGYGSGUGOQW-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC000705288407 957072058 /nfs/dbraw/zinc/07/20/58/957072058.db2.gz HTDBGYGSGUGOQW-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC000705288407 957072073 /nfs/dbraw/zinc/07/20/73/957072073.db2.gz HTDBGYGSGUGOQW-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(CCCO3)C2)C1 ZINC001208606131 957089950 /nfs/dbraw/zinc/08/99/50/957089950.db2.gz FHDNNRJBDIHTGE-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCCO3)C2)C1 ZINC001208606131 957089960 /nfs/dbraw/zinc/08/99/60/957089960.db2.gz FHDNNRJBDIHTGE-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@]3(CCCO3)C2)C1 ZINC001208606131 957089968 /nfs/dbraw/zinc/08/99/68/957089968.db2.gz FHDNNRJBDIHTGE-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H](CCCC(C)(C)O)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246234215 972240794 /nfs/dbraw/zinc/24/07/94/972240794.db2.gz UOTKACCROBESMM-NWDGAFQWSA-N 2 1 228.380 1.658 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000705397378 957201471 /nfs/dbraw/zinc/20/14/71/957201471.db2.gz CHVBSTNGHBCKCU-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC000194539815 972257089 /nfs/dbraw/zinc/25/70/89/972257089.db2.gz YJOAPIAMKLRDMB-TXEJJXNPSA-N 2 1 205.305 1.008 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC000194539815 972257095 /nfs/dbraw/zinc/25/70/95/972257095.db2.gz YJOAPIAMKLRDMB-TXEJJXNPSA-N 2 1 205.305 1.008 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC000194539815 972257099 /nfs/dbraw/zinc/25/70/99/972257099.db2.gz YJOAPIAMKLRDMB-TXEJJXNPSA-N 2 1 205.305 1.008 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC000194539815 972257105 /nfs/dbraw/zinc/25/71/05/972257105.db2.gz YJOAPIAMKLRDMB-TXEJJXNPSA-N 2 1 205.305 1.008 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2(c3cccnc3)CC2)CC[NH2+]1 ZINC001246300741 972263029 /nfs/dbraw/zinc/26/30/29/972263029.db2.gz SHCQOWPXIAGAHR-WCQYABFASA-N 2 1 231.343 1.801 20 0 BDADMP CCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246306468 972267569 /nfs/dbraw/zinc/26/75/69/972267569.db2.gz KPEDDIKRPPOWHM-RDBSUJKOSA-N 2 1 242.407 1.905 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001246320655 972277291 /nfs/dbraw/zinc/27/72/91/972277291.db2.gz ZXPXTNBCTAQPGI-YTWAJWBKSA-N 2 1 210.321 1.071 20 0 BDADMP Cc1cc(N[C@H]2CC[N@H+](C)C2)nc2c1C[NH2+]CC2 ZINC001167270440 957612277 /nfs/dbraw/zinc/61/22/77/957612277.db2.gz VOZWWQGAWNXHGU-NSHDSACASA-N 2 1 246.358 1.152 20 0 BDADMP CC[NH+](CC)C[C@H](C)OCC[NH+]1CCOCC1 ZINC001210206679 957671431 /nfs/dbraw/zinc/67/14/31/957671431.db2.gz IGSBZOTWIGQFJA-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000397747305 957800262 /nfs/dbraw/zinc/80/02/62/957800262.db2.gz JLGDKCRNJRISEQ-RVMXOQNASA-N 2 1 208.349 1.716 20 0 BDADMP CCCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401552 972311389 /nfs/dbraw/zinc/31/13/89/972311389.db2.gz NBHHFXHLSNYUMN-RYUDHWBXSA-N 2 1 244.379 1.825 20 0 BDADMP C1[C@@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C12C[NH2+]C2 ZINC001246444289 972318770 /nfs/dbraw/zinc/31/87/70/972318770.db2.gz JXSWEGICYUFQMW-TZMCWYRMSA-N 2 1 249.402 1.345 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453295 972324843 /nfs/dbraw/zinc/32/48/43/972324843.db2.gz NCWWCQKILHGPPC-ZDUSSCGKSA-N 3 1 229.412 1.729 20 0 BDADMP CC[C@H](C)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403216713 958429810 /nfs/dbraw/zinc/42/98/10/958429810.db2.gz GUHCHZMXIDPGAF-UWVGGRQHSA-N 2 1 220.307 1.948 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2cccnc2)C[NH2+]1 ZINC000398968887 958466547 /nfs/dbraw/zinc/46/65/47/958466547.db2.gz UHBLSWWGQSNXTD-YPMHNXCESA-N 2 1 219.332 1.354 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CCOCC3)C[NH2+]1 ZINC000399028361 958491469 /nfs/dbraw/zinc/49/14/69/958491469.db2.gz KSMUDXBNLLGKMN-IJLUTSLNSA-N 2 1 224.348 1.286 20 0 BDADMP CC/C=C\CC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222086101 972359613 /nfs/dbraw/zinc/35/96/13/972359613.db2.gz SDNVNYCDDPETOM-ARJAWSKDSA-N 2 1 237.391 1.370 20 0 BDADMP C1C[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CO1 ZINC000707639466 958639499 /nfs/dbraw/zinc/63/94/99/958639499.db2.gz FBYFMMABYAXZCI-QNMSZWNNSA-N 2 1 236.359 1.382 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382670386 958713513 /nfs/dbraw/zinc/71/35/13/958713513.db2.gz QXAWCAJPBNXUCG-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382670386 958713527 /nfs/dbraw/zinc/71/35/27/958713527.db2.gz QXAWCAJPBNXUCG-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382670378 958714330 /nfs/dbraw/zinc/71/43/30/958714330.db2.gz QXAWCAJPBNXUCG-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382670378 958714347 /nfs/dbraw/zinc/71/43/47/958714347.db2.gz QXAWCAJPBNXUCG-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)CO1 ZINC000403727605 958833810 /nfs/dbraw/zinc/83/38/10/958833810.db2.gz GPPRAVRGMYEWKW-MROQNXINSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)CO1 ZINC000403727605 958833818 /nfs/dbraw/zinc/83/38/18/958833818.db2.gz GPPRAVRGMYEWKW-MROQNXINSA-N 2 1 226.364 1.341 20 0 BDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@H]([NH3+])C1 ZINC000693576816 958868251 /nfs/dbraw/zinc/86/82/51/958868251.db2.gz AXFIPOOSBQBEKR-RQJABVFESA-N 2 1 237.391 1.282 20 0 BDADMP C[C@H]1CSCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693584978 958889161 /nfs/dbraw/zinc/88/91/61/958889161.db2.gz GOKOLQNKQLLINH-MXWKQRLJSA-N 2 1 214.378 1.409 20 0 BDADMP COCC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693593516 958909317 /nfs/dbraw/zinc/90/93/17/958909317.db2.gz YNIWCFQPYJFGAN-GASCZTMLSA-N 2 1 248.370 1.872 20 0 BDADMP C[N@@H+](CCOCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693595077 958915394 /nfs/dbraw/zinc/91/53/94/958915394.db2.gz FEJZGZSUPFRYTA-GASCZTMLSA-N 2 1 248.370 1.872 20 0 BDADMP C(C[N@@H+]1CC[C@]12CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001222190488 972401665 /nfs/dbraw/zinc/40/16/65/972401665.db2.gz CHXIWPULZQXDOS-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@]12CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001222190488 972401670 /nfs/dbraw/zinc/40/16/70/972401670.db2.gz CHXIWPULZQXDOS-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232006 972410823 /nfs/dbraw/zinc/41/08/23/972410823.db2.gz SANOKWPXRGLPJY-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237451 972413954 /nfs/dbraw/zinc/41/39/54/972413954.db2.gz KGUGHEALFLOMLP-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP CSCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231617 972414046 /nfs/dbraw/zinc/41/40/46/972414046.db2.gz OEUJPOPEIJSWSK-GFCCVEGCSA-N 2 1 228.405 1.958 20 0 BDADMP c1cnn(CCC[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222231609 972414983 /nfs/dbraw/zinc/41/49/83/972414983.db2.gz OBHVZNYUFKLIDA-AWEZNQCLSA-N 2 1 248.374 1.491 20 0 BDADMP c1cnn(CCC[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222231609 972414991 /nfs/dbraw/zinc/41/49/91/972414991.db2.gz OBHVZNYUFKLIDA-AWEZNQCLSA-N 2 1 248.374 1.491 20 0 BDADMP CC1(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)COC1 ZINC001222232904 972416018 /nfs/dbraw/zinc/41/60/18/972416018.db2.gz YOWSJWILTHHUTC-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000300356328 959377595 /nfs/dbraw/zinc/37/75/95/959377595.db2.gz KDRXCKFHUDCNPO-LOWDOPEQSA-N 2 1 210.365 1.962 20 0 BDADMP Cc1cnc(C[N@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000693822655 959396522 /nfs/dbraw/zinc/39/65/22/959396522.db2.gz PXVIZUFCCAFABB-UHFFFAOYSA-N 2 1 234.347 1.487 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001246528824 972425998 /nfs/dbraw/zinc/42/59/98/972425998.db2.gz IGPKMIWGYMVTRK-CABZTGNLSA-N 2 1 237.372 1.424 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001246528824 972426006 /nfs/dbraw/zinc/42/60/06/972426006.db2.gz IGPKMIWGYMVTRK-CABZTGNLSA-N 2 1 237.372 1.424 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CO[C@H]1C ZINC000405693554 959489454 /nfs/dbraw/zinc/48/94/54/959489454.db2.gz WZSOTOSJLIHNBO-HPCHECBXSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CO[C@H]1C ZINC000405693554 959489457 /nfs/dbraw/zinc/48/94/57/959489457.db2.gz WZSOTOSJLIHNBO-HPCHECBXSA-N 2 1 238.375 1.626 20 0 BDADMP C(C[NH+]1CC2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001222335640 972438980 /nfs/dbraw/zinc/43/89/80/972438980.db2.gz ZUWROEXYLVFCGG-ZDUSSCGKSA-N 3 1 237.391 1.062 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCc3occc3C2)CC1 ZINC001207399872 959744110 /nfs/dbraw/zinc/74/41/10/959744110.db2.gz YARDNKOUESIOTN-UHFFFAOYSA-N 2 1 234.343 1.980 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@](C)([NH3+])C1)C2 ZINC001246533018 972456833 /nfs/dbraw/zinc/45/68/33/972456833.db2.gz ZDJWBHCLBHNLIF-HIFRSBDPSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@](C)([NH3+])C1)C2 ZINC001246533018 972456837 /nfs/dbraw/zinc/45/68/37/972456837.db2.gz ZDJWBHCLBHNLIF-HIFRSBDPSA-N 2 1 246.354 1.586 20 0 BDADMP COc1cncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000708829579 959860134 /nfs/dbraw/zinc/86/01/34/959860134.db2.gz DFXIEQJGQGTNCC-CMPLNLGQSA-N 2 1 235.331 1.117 20 0 BDADMP COc1cncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000708829579 959860139 /nfs/dbraw/zinc/86/01/39/959860139.db2.gz DFXIEQJGQGTNCC-CMPLNLGQSA-N 2 1 235.331 1.117 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000694888810 960023123 /nfs/dbraw/zinc/02/31/23/960023123.db2.gz ZSGSNDDLZWUNMF-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](O)C2)CC1 ZINC001207480126 960355008 /nfs/dbraw/zinc/35/50/08/960355008.db2.gz UOJMPUXTEJZPFL-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP COC(=O)CCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000390524019 960543024 /nfs/dbraw/zinc/54/30/24/960543024.db2.gz ICCRMQVBOKNKDC-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCCOCC1 ZINC001140799785 960581146 /nfs/dbraw/zinc/58/11/46/960581146.db2.gz MEHOVIILYNMHEJ-UHFFFAOYSA-N 2 1 231.299 1.785 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCCOCC1 ZINC001140799785 960581160 /nfs/dbraw/zinc/58/11/60/960581160.db2.gz MEHOVIILYNMHEJ-UHFFFAOYSA-N 2 1 231.299 1.785 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CO)CC2)CC[NH2+]1 ZINC000709467565 960611748 /nfs/dbraw/zinc/61/17/48/960611748.db2.gz UOZFVKAPBBTGBR-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488516 960619088 /nfs/dbraw/zinc/61/90/88/960619088.db2.gz BHCTVOQGKBFTNM-VKYHIEHISA-N 2 1 224.348 1.115 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](CCO)Cc2ccccc2)CC[NH2+]1 ZINC000709478729 960619467 /nfs/dbraw/zinc/61/94/67/960619467.db2.gz ADVRMIHSSBGIKA-UKRRQHHQSA-N 2 1 248.370 1.621 20 0 BDADMP COc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709470603 960619857 /nfs/dbraw/zinc/61/98/57/960619857.db2.gz YAYYMWXDSNHXJU-FUNVUKJBSA-N 2 1 247.342 1.463 20 0 BDADMP OC[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709474355 960623281 /nfs/dbraw/zinc/62/32/81/960623281.db2.gz HYBLMCVMBWRIBH-FXJUQPSGSA-N 2 1 224.348 1.116 20 0 BDADMP Cc1[nH+]c(N)ccc1CNc1ccnc(C[NH3+])c1 ZINC001167786513 960885769 /nfs/dbraw/zinc/88/57/69/960885769.db2.gz SZDNVYJIUDRCDY-UHFFFAOYSA-N 2 1 243.314 1.438 20 0 BDADMP Cc1nc(NCC[C@H]2CCC[NH2+]2)c(C)c(C)[nH+]1 ZINC000257642050 962072079 /nfs/dbraw/zinc/07/20/79/962072079.db2.gz DUINHUWRNLVLSQ-GFCCVEGCSA-N 2 1 234.347 1.956 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CCOCC3)CC[NH2+]1 ZINC000383104876 962207190 /nfs/dbraw/zinc/20/71/90/962207190.db2.gz CVNLSBBFGXEMPL-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP c1cc(N2CC3(C2)CCC[NH2+]C3)[nH+]c2c1CCC2 ZINC000710012380 962215224 /nfs/dbraw/zinc/21/52/24/962215224.db2.gz AWSFQXPUKOLVPM-UHFFFAOYSA-N 2 1 243.354 1.760 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000696328333 962811367 /nfs/dbraw/zinc/81/13/67/962811367.db2.gz CBPQOLZLSZAKHA-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000696328333 962811376 /nfs/dbraw/zinc/81/13/76/962811376.db2.gz CBPQOLZLSZAKHA-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP CCN(C)c1cc[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001155095570 962973856 /nfs/dbraw/zinc/97/38/56/962973856.db2.gz PTVSPGTXXLYZED-GHMZBOCLSA-N 2 1 249.362 1.343 20 0 BDADMP Cc1cc2c(nc[nH+]c2NC[C@H]2C[NH2+][C@H](C)C2)[nH]1 ZINC001155101068 962975055 /nfs/dbraw/zinc/97/50/55/962975055.db2.gz IDVYETBYXUVCBS-PSASIEDQSA-N 2 1 245.330 1.676 20 0 BDADMP CCCc1cc(N[C@@H]2CC[NH2+][C@@H]2C)nc(C)[nH+]1 ZINC001155188177 963015021 /nfs/dbraw/zinc/01/50/21/963015021.db2.gz UMRMBTKRVWYSPU-BXKDBHETSA-N 2 1 234.347 1.900 20 0 BDADMP Nc1cc(N[C@H]2C[NH2+]Cc3ccsc32)nc[nH+]1 ZINC001155564921 963107648 /nfs/dbraw/zinc/10/76/48/963107648.db2.gz JLSOORREAPYGAP-QMMMGPOBSA-N 2 1 247.327 1.377 20 0 BDADMP CC[C@@H](C)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001167998388 963205000 /nfs/dbraw/zinc/20/50/00/963205000.db2.gz IZDGNFPSAZOMNO-SNVBAGLBSA-N 2 1 249.362 1.615 20 0 BDADMP CC(C)N(CCC[NH3+])c1ccc(N)c[nH+]1 ZINC001156118374 963262805 /nfs/dbraw/zinc/26/28/05/963262805.db2.gz HDBBHIOCQHKZIF-UHFFFAOYSA-N 2 1 208.309 1.227 20 0 BDADMP C[N@@H+](Cc1ccc(N2CC[C@@H]([NH3+])C2)nc1)C1CC1 ZINC001156232087 963294952 /nfs/dbraw/zinc/29/49/52/963294952.db2.gz CGMMVAUAIDGVCE-GFCCVEGCSA-N 2 1 246.358 1.213 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1CN(c1[nH+]cccc1N)C2 ZINC001156376060 963327026 /nfs/dbraw/zinc/32/70/26/963327026.db2.gz LPKVPKHBHCEESH-ZWNOBZJWSA-N 2 1 232.331 1.052 20 0 BDADMP [NH2+]=CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001157079211 963524249 /nfs/dbraw/zinc/52/42/49/963524249.db2.gz UZAYPRWJVOBFBC-UHFFFAOYSA-N 2 1 219.292 1.028 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCSC2)CC1 ZINC000725613764 963589708 /nfs/dbraw/zinc/58/97/08/963589708.db2.gz KCMZRXPOSZPQFR-NXEZZACHSA-N 2 1 200.351 1.305 20 0 BDADMP Cn1ccc2c1nc[nH+]c2NC1(C)CC[NH2+]CC1 ZINC001157396621 963593022 /nfs/dbraw/zinc/59/30/22/963593022.db2.gz BAQQVWKOBUSWKA-UHFFFAOYSA-N 2 1 245.330 1.522 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001168128259 963805052 /nfs/dbraw/zinc/80/50/52/963805052.db2.gz PIKKKCQBUKWEOF-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[N@H+]1CCN(c2cc(N)cc[nH+]2)C[C@@H]1C ZINC001158494213 963882034 /nfs/dbraw/zinc/88/20/34/963882034.db2.gz XDOXCIZFMLLUEI-NSHDSACASA-N 2 1 234.347 1.583 20 0 BDADMP C[C@@]1(C[NH3+])CCCN(c2[nH+]cccc2N)C1 ZINC001158675355 963899747 /nfs/dbraw/zinc/89/97/47/963899747.db2.gz MFNPJWJDRVHKIZ-LBPRGKRZSA-N 2 1 220.320 1.229 20 0 BDADMP C[NH+](C)CCC(C)(C)Nc1cc[nH+]c(N)n1 ZINC001158760746 963915912 /nfs/dbraw/zinc/91/59/12/963915912.db2.gz LQZFYEMDBQRIQC-UHFFFAOYSA-N 2 1 223.324 1.201 20 0 BDADMP C[NH+](C)CCC(C)(C)Nc1[nH+]cccc1N ZINC001158758226 963916751 /nfs/dbraw/zinc/91/67/51/963916751.db2.gz VOXVMUUAAARQCB-UHFFFAOYSA-N 2 1 222.336 1.806 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000689473019 963927662 /nfs/dbraw/zinc/92/76/62/963927662.db2.gz WWPANKXZQHXZIP-UKRRQHHQSA-N 2 1 247.386 1.971 20 0 BDADMP CC1CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001168199224 963965054 /nfs/dbraw/zinc/96/50/54/963965054.db2.gz IEFGNCNFDNEJGP-MOENNCHZSA-N 2 1 237.347 1.496 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1-n1cc(C[NH3+])cn1 ZINC001168262149 964085638 /nfs/dbraw/zinc/08/56/38/964085638.db2.gz NLIIYOGTSFRRCS-UHFFFAOYSA-N 2 1 231.303 1.100 20 0 BDADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]1O ZINC001168314469 964421517 /nfs/dbraw/zinc/42/15/17/964421517.db2.gz LZAXQEVCZIUPLV-YWPUVAFDSA-N 2 1 226.364 1.172 20 0 BDADMP C[NH+](C)C1CN(C2CCC([NH+](C)C)CC2)C1 ZINC001168315365 964427429 /nfs/dbraw/zinc/42/74/29/964427429.db2.gz VJMCFVHKDXIMLL-UHFFFAOYSA-N 2 1 225.380 1.105 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cnccn2)CC1 ZINC001168324046 964450438 /nfs/dbraw/zinc/45/04/38/964450438.db2.gz HMFCNRISRLUQMW-UHFFFAOYSA-N 2 1 248.374 1.781 20 0 BDADMP COc1ccc(C)[nH+]c1NC/C=C/C[NH3+] ZINC001160977347 964466319 /nfs/dbraw/zinc/46/63/19/964466319.db2.gz VRHNXPRXUKJWFV-ONEGZZNKSA-N 2 1 207.277 1.325 20 0 BDADMP [NH3+]C/C=C/CNc1nc(N2CCCC2)cc[nH+]1 ZINC001160976702 964466664 /nfs/dbraw/zinc/46/66/64/964466664.db2.gz BCCMQCVSXCQDBA-OWOJBTEDSA-N 2 1 233.319 1.004 20 0 BDADMP Nc1cc(Cl)cc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001162391907 964953245 /nfs/dbraw/zinc/95/32/45/964953245.db2.gz ONYRLPXCLQLFON-IUCAKERBSA-N 2 1 240.738 1.999 20 0 BDADMP COc1[nH+]ccc(N[C@H]2CCC[C@H]([NH3+])C2)c1N ZINC001162396568 964957353 /nfs/dbraw/zinc/95/73/53/964957353.db2.gz LKIJHSJXAZPVNU-IUCAKERBSA-N 2 1 236.319 1.354 20 0 BDADMP [NH3+][C@H]1CCC[C@@H](Nc2c[nH+]c3c(c2)CCCN3)C1 ZINC001162405808 964967280 /nfs/dbraw/zinc/96/72/80/964967280.db2.gz WWUCIDUWAHGXGN-NWDGAFQWSA-N 2 1 246.358 1.409 20 0 BDADMP CC[C@@H](C)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000084532991 964987804 /nfs/dbraw/zinc/98/78/04/964987804.db2.gz SSTIRTALMCZUGL-SNVBAGLBSA-N 2 1 235.335 1.097 20 0 BDADMP CCc1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)nc(C)[nH+]1 ZINC001162797195 965186087 /nfs/dbraw/zinc/18/60/87/965186087.db2.gz JYHQNIDJZGUNGH-WCFLWFBJSA-N 2 1 244.342 1.533 20 0 BDADMP Cn1ccccc1=[N+]1C[C@H]([NH3+])Cc2ccccc21 ZINC001162841871 965191960 /nfs/dbraw/zinc/19/19/60/965191960.db2.gz RHGYCUKFQOKGIR-CYBMUJFWSA-N 2 1 240.330 1.533 20 0 BDADMP c1cc2cc[nH+]c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2[nH]1 ZINC001163267542 965321066 /nfs/dbraw/zinc/32/10/66/965321066.db2.gz YCVRNFKIGFITQR-WOPDTQHZSA-N 2 1 242.326 1.973 20 0 BDADMP OCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000714958996 965561134 /nfs/dbraw/zinc/56/11/34/965561134.db2.gz CMEQAAFYNSBWRV-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP Cc1cc[nH+]c2cc(N(CC[NH3+])CCO)ccc12 ZINC001163836544 965605371 /nfs/dbraw/zinc/60/53/71/965605371.db2.gz DZYLOOBIWWFLIU-UHFFFAOYSA-N 2 1 245.326 1.301 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2[nH]nc3c2CCC3)CC1 ZINC001205116638 965867276 /nfs/dbraw/zinc/86/72/76/965867276.db2.gz FGOHPXLFXNGZGZ-SNVBAGLBSA-N 2 1 234.347 1.212 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2[nH]nc3c2CCC3)CC1 ZINC001205116638 965867280 /nfs/dbraw/zinc/86/72/80/965867280.db2.gz FGOHPXLFXNGZGZ-SNVBAGLBSA-N 2 1 234.347 1.212 20 0 BDADMP CCC1([NH+](C)C)CCN(c2cc[nH+]c(N)n2)CC1 ZINC000715229402 965982841 /nfs/dbraw/zinc/98/28/41/965982841.db2.gz WGIPEMFXEYNSCR-UHFFFAOYSA-N 2 1 249.362 1.369 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC000699568116 965996148 /nfs/dbraw/zinc/99/61/48/965996148.db2.gz GVFRAKDBVJCVSD-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3cccnc3[nH]2)C[C@H]1C[NH3+] ZINC001205140891 966024573 /nfs/dbraw/zinc/02/45/73/966024573.db2.gz QJMCKGYWVBOIES-CMPLNLGQSA-N 2 1 244.342 1.590 20 0 BDADMP Cn1c(=O)cccc1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001165291214 966036517 /nfs/dbraw/zinc/03/65/17/966036517.db2.gz ZACLUPUEWYALPF-GFCCVEGCSA-N 2 1 249.358 1.529 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c[nH]nc32)C[C@H]1C[NH3+] ZINC001205146121 966042297 /nfs/dbraw/zinc/04/22/97/966042297.db2.gz PNVWLUGGPYCFPV-GXFFZTMASA-N 2 1 244.342 1.590 20 0 BDADMP COC1CCC(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235976831 966191655 /nfs/dbraw/zinc/19/16/55/966191655.db2.gz CCNWZIROQHIWGS-HHTDUIENSA-N 2 1 238.375 1.615 20 0 BDADMP CS[C@H](C)CC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235977341 966191950 /nfs/dbraw/zinc/19/19/50/966191950.db2.gz GNKBZPKWERSWEM-MXWKQRLJSA-N 2 1 214.378 1.551 20 0 BDADMP Cc1cccc(CC[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235978278 966192949 /nfs/dbraw/zinc/19/29/49/966192949.db2.gz KCDSSARHYBBPIT-HUUCEWRRSA-N 2 1 230.355 1.961 20 0 BDADMP Cc1cccc(CC[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235978278 966192964 /nfs/dbraw/zinc/19/29/64/966192964.db2.gz KCDSSARHYBBPIT-HUUCEWRRSA-N 2 1 230.355 1.961 20 0 BDADMP CC1(C[NH3+])C[NH+](CC2(c3ccccc3)CC2)C1 ZINC001206711714 966254381 /nfs/dbraw/zinc/25/43/81/966254381.db2.gz NGOHLAPNWCHTIG-UHFFFAOYSA-N 2 1 230.355 1.999 20 0 BDADMP CCOC(=O)CCCCCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236170682 966288480 /nfs/dbraw/zinc/28/84/80/966288480.db2.gz YMKCHEKSYLNXLA-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CCCCCC[N@H+]1CC[C@H]([NH3+])C1 ZINC001236170682 966288489 /nfs/dbraw/zinc/28/84/89/966288489.db2.gz YMKCHEKSYLNXLA-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP C([C@@H]1CC2CCC1CC2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000691658335 966293305 /nfs/dbraw/zinc/29/33/05/966293305.db2.gz WEVHNQCTLBRKID-QXRZNBQRSA-N 2 1 234.387 1.964 20 0 BDADMP C[N@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216649 966314177 /nfs/dbraw/zinc/31/41/77/966314177.db2.gz LEEMBQQYGJUQEM-HUUCEWRRSA-N 3 1 247.386 1.847 20 0 BDADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216649 966314181 /nfs/dbraw/zinc/31/41/81/966314181.db2.gz LEEMBQQYGJUQEM-HUUCEWRRSA-N 3 1 247.386 1.847 20 0 BDADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CCO)c1 ZINC001236255816 966322456 /nfs/dbraw/zinc/32/24/56/966322456.db2.gz IAPYMBPLURXNPS-UHFFFAOYSA-N 2 1 240.322 1.311 20 0 BDADMP CCc1nc(N(C)C[C@@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC001166957791 966486963 /nfs/dbraw/zinc/48/69/63/966486963.db2.gz JEIYEKUAHGTWEZ-LLVKDONJSA-N 2 1 234.347 1.393 20 0 BDADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccn3C)C[C@H]2C1 ZINC001203271337 966589517 /nfs/dbraw/zinc/58/95/17/966589517.db2.gz YOKBWYLHEBYKPH-ZIAGYGMSSA-N 2 1 247.386 1.799 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(C)[nH+]1 ZINC001237413451 966658041 /nfs/dbraw/zinc/65/80/41/966658041.db2.gz IKVATTHQRTXKGG-OLZOCXBDSA-N 2 1 248.374 1.600 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403216715 966836888 /nfs/dbraw/zinc/83/68/88/966836888.db2.gz GUHCHZMXIDPGAF-ZJUUUORDSA-N 2 1 220.307 1.948 20 0 BDADMP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC ZINC000715506584 966940169 /nfs/dbraw/zinc/94/01/69/966940169.db2.gz PAQPEVWKYWOJCS-HTAVTVPLSA-N 2 1 242.363 1.400 20 0 BDADMP C[NH+](C)CCN1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276463482 966995557 /nfs/dbraw/zinc/99/55/57/966995557.db2.gz QDXCJQPWSOUZEH-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CN(C)CC[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276463482 966995563 /nfs/dbraw/zinc/99/55/63/966995563.db2.gz QDXCJQPWSOUZEH-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CN(C)CC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276463482 966995566 /nfs/dbraw/zinc/99/55/66/966995566.db2.gz QDXCJQPWSOUZEH-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[NH+]1CC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC001204548267 967047741 /nfs/dbraw/zinc/04/77/41/967047741.db2.gz FVCZRLFLNJULDX-UHFFFAOYSA-N 2 1 237.372 1.671 20 0 BDADMP Cc1nc[nH]c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001204591676 967089579 /nfs/dbraw/zinc/08/95/79/967089579.db2.gz GRVBLQZLFQAPRN-UHFFFAOYSA-N 2 1 234.347 1.246 20 0 BDADMP CCc1[nH]c(CN2CCC[NH2+]CC2)c(C)[nH+]1 ZINC001204654939 967115986 /nfs/dbraw/zinc/11/59/86/967115986.db2.gz HWHBWGMNRCYTPR-UHFFFAOYSA-N 2 1 222.336 1.076 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001204801887 967177183 /nfs/dbraw/zinc/17/71/83/967177183.db2.gz WCYSFGHXFBVCCK-CQSZACIVSA-N 2 1 231.343 1.578 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001204801887 967177188 /nfs/dbraw/zinc/17/71/88/967177188.db2.gz WCYSFGHXFBVCCK-CQSZACIVSA-N 2 1 231.343 1.578 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001204848713 967199338 /nfs/dbraw/zinc/19/93/38/967199338.db2.gz RHTSCUBFZSWSIG-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1[nH+]c(N)ccc1-c1cncc(C[NH3+])c1 ZINC001239804202 967201367 /nfs/dbraw/zinc/20/13/67/967201367.db2.gz NSTGHWVXPFQZQG-UHFFFAOYSA-N 2 1 214.272 1.493 20 0 BDADMP CC1([NH3+])CN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001204979834 967274271 /nfs/dbraw/zinc/27/42/71/967274271.db2.gz SABFOUZKGUYARB-UHFFFAOYSA-N 2 1 216.288 1.096 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc2c1CCN2 ZINC001205082640 967329633 /nfs/dbraw/zinc/32/96/33/967329633.db2.gz HPZMODIJEYUXQC-AAEUAGOBSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc2c1CCN2 ZINC001205082640 967329647 /nfs/dbraw/zinc/32/96/47/967329647.db2.gz HPZMODIJEYUXQC-AAEUAGOBSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2c1CCN2 ZINC001205082640 967329662 /nfs/dbraw/zinc/32/96/62/967329662.db2.gz HPZMODIJEYUXQC-AAEUAGOBSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2c1CCN2 ZINC001205082640 967329675 /nfs/dbraw/zinc/32/96/75/967329675.db2.gz HPZMODIJEYUXQC-AAEUAGOBSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1nc[nH]c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094575 967336753 /nfs/dbraw/zinc/33/67/53/967336753.db2.gz NAVXLTHHBWLRFM-JTQLQIEISA-N 2 1 208.309 1.031 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094575 967336763 /nfs/dbraw/zinc/33/67/63/967336763.db2.gz NAVXLTHHBWLRFM-JTQLQIEISA-N 2 1 208.309 1.031 20 0 BDADMP Nc1ncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205102419 967345831 /nfs/dbraw/zinc/34/58/31/967345831.db2.gz RYFWQBGTQUICFA-MRVPVSSYSA-N 2 1 226.349 1.039 20 0 BDADMP Nc1ncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205102419 967345840 /nfs/dbraw/zinc/34/58/40/967345840.db2.gz RYFWQBGTQUICFA-MRVPVSSYSA-N 2 1 226.349 1.039 20 0 BDADMP COCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205109667 967350263 /nfs/dbraw/zinc/35/02/63/967350263.db2.gz IWWMDTSJZVLJRC-NSHDSACASA-N 2 1 238.331 1.739 20 0 BDADMP COCc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205109667 967350273 /nfs/dbraw/zinc/35/02/73/967350273.db2.gz IWWMDTSJZVLJRC-NSHDSACASA-N 2 1 238.331 1.739 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc(CF)n2)CC1 ZINC001205116922 967364711 /nfs/dbraw/zinc/36/47/11/967364711.db2.gz JDICQDLYFDCODN-NSHDSACASA-N 2 1 237.322 1.864 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(CF)n2)CC1 ZINC001205116922 967364725 /nfs/dbraw/zinc/36/47/25/967364725.db2.gz JDICQDLYFDCODN-NSHDSACASA-N 2 1 237.322 1.864 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc3[nH]ccc3c2)C[C@H]1C[NH3+] ZINC001205136131 967381195 /nfs/dbraw/zinc/38/11/95/967381195.db2.gz QCZNXQAGEOVABT-GXFFZTMASA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(CF)n2)C[C@H]1C[NH3+] ZINC001205146107 967386746 /nfs/dbraw/zinc/38/67/46/967386746.db2.gz ONMWQYDUCAOWHS-WDEREUQCSA-N 2 1 237.322 1.578 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(CF)n2)C[C@H]1C[NH3+] ZINC001205146107 967386758 /nfs/dbraw/zinc/38/67/58/967386758.db2.gz ONMWQYDUCAOWHS-WDEREUQCSA-N 2 1 237.322 1.578 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1Cc1[nH+]cn2ccccc12 ZINC001205189964 967416346 /nfs/dbraw/zinc/41/63/46/967416346.db2.gz IUZXAVKGTOSCKQ-GHMZBOCLSA-N 2 1 230.315 1.256 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205210124 967428417 /nfs/dbraw/zinc/42/84/17/967428417.db2.gz NBMRIMQJINFWID-HNNXBMFYSA-N 2 1 248.370 1.671 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC001205257250 967447502 /nfs/dbraw/zinc/44/75/02/967447502.db2.gz UWAJDWPLMKMIAX-CQSZACIVSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC001205258006 967453619 /nfs/dbraw/zinc/45/36/19/967453619.db2.gz ZUPDHHQHXZKZEJ-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205264064 967456653 /nfs/dbraw/zinc/45/66/53/967456653.db2.gz HLECIGKICVHAFK-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205264064 967456659 /nfs/dbraw/zinc/45/66/59/967456659.db2.gz HLECIGKICVHAFK-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP CCn1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205264324 967459022 /nfs/dbraw/zinc/45/90/22/967459022.db2.gz KLVPIUNJKUWWGL-ZDUSSCGKSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205264324 967459025 /nfs/dbraw/zinc/45/90/25/967459025.db2.gz KLVPIUNJKUWWGL-ZDUSSCGKSA-N 2 1 236.363 1.606 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205287704 967482563 /nfs/dbraw/zinc/48/25/63/967482563.db2.gz AZDRTHBETMKPDG-AWEZNQCLSA-N 2 1 249.358 1.799 20 0 BDADMP CN1CC[NH+](CCCC2=CC[N@@H+](C)CC2)CC1 ZINC001250228580 967541667 /nfs/dbraw/zinc/54/16/67/967541667.db2.gz FESIRYDVSRTGAC-UHFFFAOYSA-N 2 1 237.391 1.276 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2c(c1)NCC2 ZINC001205340162 967552656 /nfs/dbraw/zinc/55/26/56/967552656.db2.gz PINQBVOTHVBOEF-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2c(c1)NCC2 ZINC001205340162 967552663 /nfs/dbraw/zinc/55/26/63/967552663.db2.gz PINQBVOTHVBOEF-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP CCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205537206 967672451 /nfs/dbraw/zinc/67/24/51/967672451.db2.gz FZTWOBDGMWBVSR-NSHDSACASA-N 2 1 202.317 1.939 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccco2)CC1 ZINC001205546031 967688551 /nfs/dbraw/zinc/68/85/51/967688551.db2.gz PFDCQZHWYPVCKP-GFCCVEGCSA-N 2 1 226.295 1.933 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546607 967691350 /nfs/dbraw/zinc/69/13/50/967691350.db2.gz XBMVOWGLVMRCLA-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCO)CC[C@@H]1C[NH3+] ZINC001205601965 967719432 /nfs/dbraw/zinc/71/94/32/967719432.db2.gz HGOQDRSBZZEYRX-NWDGAFQWSA-N 2 1 214.353 1.066 20 0 BDADMP Nc1cn[nH+]cc1Nc1ccc2c[nH+]cn2c1 ZINC001250327040 967712318 /nfs/dbraw/zinc/71/23/18/967712318.db2.gz GXLDDSPVSFEOSY-UHFFFAOYSA-N 2 1 226.243 1.450 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC=CO2)CC[C@@H]1C[NH3+] ZINC001205602267 967719044 /nfs/dbraw/zinc/71/90/44/967719044.db2.gz IDXOLPBOHGMGAV-MGPQQGTHSA-N 2 1 238.375 1.986 20 0 BDADMP COCOCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603667 967719736 /nfs/dbraw/zinc/71/97/36/967719736.db2.gz RWKHIYNGXMHOPD-CHWSQXEVSA-N 2 1 244.379 1.304 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ncccc2O)CC[C@H]1C[NH3+] ZINC001205616027 967724463 /nfs/dbraw/zinc/72/44/63/967724463.db2.gz BWUNJFUEMVBIQF-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncccc2O)CC[C@H]1C[NH3+] ZINC001205616027 967724473 /nfs/dbraw/zinc/72/44/73/967724473.db2.gz BWUNJFUEMVBIQF-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnccn2)CC[C@H]1C[NH3+] ZINC001205617886 967726725 /nfs/dbraw/zinc/72/67/25/967726725.db2.gz OUAYIWULYZEWBR-NEPJUHHUSA-N 2 1 234.347 1.283 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cn1 ZINC001205617762 967729466 /nfs/dbraw/zinc/72/94/66/967729466.db2.gz NHJNAIQCYOVYRD-AAEUAGOBSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncco2)CC[C@@H]1C[NH3+] ZINC001205629196 967732949 /nfs/dbraw/zinc/73/29/49/967732949.db2.gz YIILZCHQJRFFOM-WDEREUQCSA-N 2 1 223.320 1.481 20 0 BDADMP CS[C@H](C)CC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662427 967749204 /nfs/dbraw/zinc/74/92/04/967749204.db2.gz ASRIULAEYMWDTO-NEPJUHHUSA-N 2 1 246.420 1.304 20 0 BDADMP C[C@@]1(F)CCC[N@@H+](CCCC[NH3+])CC1 ZINC001205851856 967855227 /nfs/dbraw/zinc/85/52/27/967855227.db2.gz CKXUHSGJIUXDNL-LLVKDONJSA-N 2 1 202.317 1.939 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C)[C@@H](N)C2)CC1 ZINC001205862968 967862575 /nfs/dbraw/zinc/86/25/75/967862575.db2.gz GLWZHVSXYWVNIQ-OCCSQVGLSA-N 2 1 239.407 1.387 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@@H](N)C2)CC1 ZINC001205862968 967862576 /nfs/dbraw/zinc/86/25/76/967862576.db2.gz GLWZHVSXYWVNIQ-OCCSQVGLSA-N 2 1 239.407 1.387 20 0 BDADMP CCCC[C@H](CC)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205939011 967890755 /nfs/dbraw/zinc/89/07/55/967890755.db2.gz MVWNVWSJOJVTLO-YNEHKIRRSA-N 2 1 228.380 1.597 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205993431 967945862 /nfs/dbraw/zinc/94/58/62/967945862.db2.gz HPSJVKNTHLUXTL-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001206004184 967956327 /nfs/dbraw/zinc/95/63/27/967956327.db2.gz RALPPUSIXISPAO-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccncc2O)CCC[C@H]1C[NH3+] ZINC001206003910 967956406 /nfs/dbraw/zinc/95/64/06/967956406.db2.gz NNPIFLZQVSAZDB-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2O)CCC[C@H]1C[NH3+] ZINC001206003910 967956419 /nfs/dbraw/zinc/95/64/19/967956419.db2.gz NNPIFLZQVSAZDB-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001206004185 967958983 /nfs/dbraw/zinc/95/89/83/967958983.db2.gz RALPPUSIXISPAO-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2c[nH]ccc2=O)CCC[C@H]1C[NH3+] ZINC001206026256 967981258 /nfs/dbraw/zinc/98/12/58/967981258.db2.gz RDNGAVFNEYZMEQ-NEPJUHHUSA-N 2 1 249.358 1.182 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC001206022749 967982379 /nfs/dbraw/zinc/98/23/79/967982379.db2.gz CQDDKIQJBIVOAW-OLZOCXBDSA-N 2 1 248.374 1.592 20 0 BDADMP Cc1cccc(CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206049495 968015020 /nfs/dbraw/zinc/01/50/20/968015020.db2.gz MTTMFNSWCCISOR-TZMCWYRMSA-N 2 1 218.344 1.817 20 0 BDADMP Cc1cccc(CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206049495 968015035 /nfs/dbraw/zinc/01/50/35/968015035.db2.gz MTTMFNSWCCISOR-TZMCWYRMSA-N 2 1 218.344 1.817 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc3c2ccn3C)C[C@H]1[NH3+] ZINC001206058691 968030818 /nfs/dbraw/zinc/03/08/18/968030818.db2.gz OPQWBAVBNSOZMB-BXUZGUMPSA-N 2 1 243.354 1.957 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2ccn3C)C[C@H]1[NH3+] ZINC001206058691 968030828 /nfs/dbraw/zinc/03/08/28/968030828.db2.gz OPQWBAVBNSOZMB-BXUZGUMPSA-N 2 1 243.354 1.957 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001206084912 968052556 /nfs/dbraw/zinc/05/25/56/968052556.db2.gz QPRRFXNCQDGQNO-CRWXNKLISA-N 2 1 240.391 1.731 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001206084912 968052566 /nfs/dbraw/zinc/05/25/66/968052566.db2.gz QPRRFXNCQDGQNO-CRWXNKLISA-N 2 1 240.391 1.731 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCCn2cccn2)CC[C@@H]1F ZINC001206154449 968092285 /nfs/dbraw/zinc/09/22/85/968092285.db2.gz JBOGOFBDYZXSSR-NWDGAFQWSA-N 2 1 240.326 1.034 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCCn2cccn2)CC[C@@H]1F ZINC001206154449 968092299 /nfs/dbraw/zinc/09/22/99/968092299.db2.gz JBOGOFBDYZXSSR-NWDGAFQWSA-N 2 1 240.326 1.034 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206165780 968100976 /nfs/dbraw/zinc/10/09/76/968100976.db2.gz OTWFLEBDWBFWTE-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)n1 ZINC001206165788 968105050 /nfs/dbraw/zinc/10/50/50/968105050.db2.gz OUKNISPIZBXGLH-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)n1 ZINC001206165788 968105055 /nfs/dbraw/zinc/10/50/55/968105055.db2.gz OUKNISPIZBXGLH-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001118369015 968132129 /nfs/dbraw/zinc/13/21/29/968132129.db2.gz WGMAZKGNTKLEEJ-AWEZNQCLSA-N 2 1 249.358 1.200 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001118369015 968132144 /nfs/dbraw/zinc/13/21/44/968132144.db2.gz WGMAZKGNTKLEEJ-AWEZNQCLSA-N 2 1 249.358 1.200 20 0 BDADMP CC(C)N(CCC[NH3+])c1cccn2cc[nH+]c12 ZINC001164122499 968176396 /nfs/dbraw/zinc/17/63/96/968176396.db2.gz GDBILRBACHLNPM-UHFFFAOYSA-N 2 1 232.331 1.898 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCCCO)CC1 ZINC001206294071 968193207 /nfs/dbraw/zinc/19/32/07/968193207.db2.gz JGGRQFBSGINAOW-CYBMUJFWSA-N 2 1 228.380 1.600 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206295789 968201522 /nfs/dbraw/zinc/20/15/22/968201522.db2.gz NTNYFGZRHKXYTD-CYBMUJFWSA-N 2 1 242.363 1.391 20 0 BDADMP CC[C@@H](N)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292475 968203519 /nfs/dbraw/zinc/20/35/19/968203519.db2.gz BNOCSKNLORPQQW-VXGBXAGGSA-N 2 1 213.369 1.175 20 0 BDADMP CC[C@@H]([NH3+])CN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292475 968203527 /nfs/dbraw/zinc/20/35/27/968203527.db2.gz BNOCSKNLORPQQW-VXGBXAGGSA-N 2 1 213.369 1.175 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296999 968208000 /nfs/dbraw/zinc/20/80/00/968208000.db2.gz WBTDSQNSUUYTML-ZDUSSCGKSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001206304933 968213250 /nfs/dbraw/zinc/21/32/50/968213250.db2.gz RUCMOADYNWBMAW-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncccc2N)CC1 ZINC001206305462 968215229 /nfs/dbraw/zinc/21/52/29/968215229.db2.gz ZUNZZIORBJQIIE-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc(N)cn2)CC1 ZINC001206326814 968234639 /nfs/dbraw/zinc/23/46/39/968234639.db2.gz PGYLNFXLKVTQRP-ZDUSSCGKSA-N 2 1 249.362 1.010 20 0 BDADMP NC[C@]1(F)CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001206334925 968238600 /nfs/dbraw/zinc/23/86/00/968238600.db2.gz AVGSZKDGEJCKCB-CYBMUJFWSA-N 2 1 245.386 1.658 20 0 BDADMP [NH3+]CCCCCCN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334925 968238608 /nfs/dbraw/zinc/23/86/08/968238608.db2.gz AVGSZKDGEJCKCB-CYBMUJFWSA-N 2 1 245.386 1.658 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cn[nH]c2)C1 ZINC001206542016 968366388 /nfs/dbraw/zinc/36/63/88/968366388.db2.gz PEZKBLIAMZVXAN-GFCCVEGCSA-N 2 1 222.336 1.361 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc[nH]2)C1 ZINC001206542113 968369060 /nfs/dbraw/zinc/36/90/60/968369060.db2.gz RQTMTRSCWMSBHR-CYBMUJFWSA-N 2 1 221.348 1.966 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC001206563300 968387600 /nfs/dbraw/zinc/38/76/00/968387600.db2.gz BPKSRVUAQWXXFC-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001206606541 968416596 /nfs/dbraw/zinc/41/65/96/968416596.db2.gz ONAQIGIQEVXAOC-UONOGXRCSA-N 2 1 239.407 1.437 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccncc2O)C1 ZINC001206622534 968422612 /nfs/dbraw/zinc/42/26/12/968422612.db2.gz FFCPOXUPQMUHHP-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccncc2O)C1 ZINC001206622534 968422620 /nfs/dbraw/zinc/42/26/20/968422620.db2.gz FFCPOXUPQMUHHP-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP CCC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001206761383 968455158 /nfs/dbraw/zinc/45/51/58/968455158.db2.gz YQHBYJIINPFVPY-LBPRGKRZSA-N 2 1 226.364 1.833 20 0 BDADMP Cc1[nH+]cc(CN2CCC([NH+]3CCC3)CC2)n1C ZINC001206796914 968481603 /nfs/dbraw/zinc/48/16/03/968481603.db2.gz OKJGIYFAXHVVAN-UHFFFAOYSA-N 2 1 248.374 1.399 20 0 BDADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001276514016 968687525 /nfs/dbraw/zinc/68/75/25/968687525.db2.gz UOERUWFSFWTPPY-OKILXGFUSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCc3ncccc3C2)CC1 ZINC001207398332 968744642 /nfs/dbraw/zinc/74/46/42/968744642.db2.gz IJIJVTJUHXTDRW-UHFFFAOYSA-N 2 1 245.370 1.782 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001207402305 968750779 /nfs/dbraw/zinc/75/07/79/968750779.db2.gz YCLGOWSQVDEAJT-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](CCc1cccnc1)CC1CC[NH+](C)CC1 ZINC001207398864 968752771 /nfs/dbraw/zinc/75/27/71/968752771.db2.gz RRAIQXQNPOCHLS-UHFFFAOYSA-N 2 1 247.386 1.898 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(CCCO2)C1 ZINC001207435426 968767869 /nfs/dbraw/zinc/76/78/69/968767869.db2.gz DYAILHNIKXSUGA-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP COC(C)(C)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207438226 968767896 /nfs/dbraw/zinc/76/78/96/968767896.db2.gz ZGAOFXGBFPCFLB-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207438225 968769030 /nfs/dbraw/zinc/76/90/30/968769030.db2.gz ZGAOFXGBFPCFLB-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@]1(O)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436531 968769298 /nfs/dbraw/zinc/76/92/98/968769298.db2.gz MWNWSNZZOZSXDX-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP OC[C@@H]1CCC(F)(F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436848 968770608 /nfs/dbraw/zinc/77/06/08/968770608.db2.gz SOUVPWMKIBSCIF-NSHDSACASA-N 2 1 248.317 1.078 20 0 BDADMP OC[C@@H]1CCC(F)(F)C[N@H+]1CC1CC[NH2+]CC1 ZINC001207436848 968770613 /nfs/dbraw/zinc/77/06/13/968770613.db2.gz SOUVPWMKIBSCIF-NSHDSACASA-N 2 1 248.317 1.078 20 0 BDADMP COC(=O)[C@H](C(C)C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001207440669 968775354 /nfs/dbraw/zinc/77/53/54/968775354.db2.gz BNFCVHDRQHFISW-LBPRGKRZSA-N 2 1 242.363 1.115 20 0 BDADMP CCO[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207487182 968797954 /nfs/dbraw/zinc/79/79/54/968797954.db2.gz IPKHOCPBPYAKDI-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CN(C)[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479972 968799631 /nfs/dbraw/zinc/79/96/31/968799631.db2.gz QWZGTDWQIGLSLY-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+](C)[C@H]1CCN(CCC2CC[NH+](C)CC2)C1 ZINC001207479972 968799636 /nfs/dbraw/zinc/79/96/36/968799636.db2.gz QWZGTDWQIGLSLY-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[C@@H](CNc2nc(NC3CC3)cc[nH+]2)C[NH2+]1 ZINC001155094770 968891256 /nfs/dbraw/zinc/89/12/56/968891256.db2.gz BWNFDOGVWOBGFF-NXEZZACHSA-N 2 1 247.346 1.461 20 0 BDADMP COc1ccc(C)[nH+]c1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001155101509 968892881 /nfs/dbraw/zinc/89/28/81/968892881.db2.gz YCKWBLHGTIGFBU-GHMZBOCLSA-N 2 1 235.331 1.809 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCO1 ZINC001207894696 968917614 /nfs/dbraw/zinc/91/76/14/968917614.db2.gz UKNXQSPPQLQSKH-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCn3cccn3)C[C@@H]2C1 ZINC001208086116 968990589 /nfs/dbraw/zinc/99/05/89/968990589.db2.gz FOSWGNPBFVEQGQ-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCn3cccn3)C[C@@H]2C1 ZINC001208086116 968990603 /nfs/dbraw/zinc/99/06/03/968990603.db2.gz FOSWGNPBFVEQGQ-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CCCn3cccn3)C[C@@H]2C1 ZINC001208086116 968990623 /nfs/dbraw/zinc/99/06/23/968990623.db2.gz FOSWGNPBFVEQGQ-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+](C)CC1(C[N@H+](C)[C@@H]2CCOC2)CCCC1 ZINC001208192707 969121135 /nfs/dbraw/zinc/12/11/35/969121135.db2.gz XJHPHJPBSJSNPV-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)CC1(C[N@@H+](C)[C@@H]2CCOC2)CCCC1 ZINC001208192707 969121138 /nfs/dbraw/zinc/12/11/38/969121138.db2.gz XJHPHJPBSJSNPV-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CCC[C@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001208605027 969156770 /nfs/dbraw/zinc/15/67/70/969156770.db2.gz WSWOKEDCMDJMIQ-RWMBFGLXSA-N 2 1 224.348 1.191 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC001208601619 969158715 /nfs/dbraw/zinc/15/87/15/969158715.db2.gz OATBUKOJLKKLPI-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC3(COC3)C2)C1 ZINC001208607622 969166809 /nfs/dbraw/zinc/16/68/09/969166809.db2.gz MAQFAMACMDEZOP-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC3(COC3)C2)C1 ZINC001208607622 969166810 /nfs/dbraw/zinc/16/68/10/969166810.db2.gz MAQFAMACMDEZOP-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC3(COC3)C2)C1 ZINC001208607622 969166819 /nfs/dbraw/zinc/16/68/19/969166819.db2.gz MAQFAMACMDEZOP-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CCO3)C2)C1 ZINC001208613439 969168849 /nfs/dbraw/zinc/16/88/49/969168849.db2.gz UENYJDBIZUMZBF-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCO3)C2)C1 ZINC001208613439 969168853 /nfs/dbraw/zinc/16/88/53/969168853.db2.gz UENYJDBIZUMZBF-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]3(CCO3)C2)C1 ZINC001208613439 969168855 /nfs/dbraw/zinc/16/88/55/969168855.db2.gz UENYJDBIZUMZBF-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001253547210 969221266 /nfs/dbraw/zinc/22/12/66/969221266.db2.gz FQVUGPZURWGSAY-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnccn2)CCC[C@@H]1C[NH3+] ZINC001205993136 969222507 /nfs/dbraw/zinc/22/25/07/969222507.db2.gz GZJFMIGMNZLAAU-VXGBXAGGSA-N 2 1 234.347 1.283 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208880767 969269696 /nfs/dbraw/zinc/26/96/96/969269696.db2.gz UHAPKOORLRXNHK-RDBSUJKOSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208880767 969269705 /nfs/dbraw/zinc/26/97/05/969269705.db2.gz UHAPKOORLRXNHK-RDBSUJKOSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208880767 969269714 /nfs/dbraw/zinc/26/97/14/969269714.db2.gz UHAPKOORLRXNHK-RDBSUJKOSA-N 2 1 236.359 1.563 20 0 BDADMP Cn1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169098398 969390165 /nfs/dbraw/zinc/39/01/65/969390165.db2.gz HFMQSYANEHTQDS-ZSOGYDGISA-N 2 1 248.374 1.177 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC3(COC3)C1)C2 ZINC001169099448 969390952 /nfs/dbraw/zinc/39/09/52/969390952.db2.gz RQIYLTHDYKTEAJ-UOJUARBOSA-N 2 1 236.359 1.380 20 0 BDADMP CN([C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH3+] ZINC001169100320 969393831 /nfs/dbraw/zinc/39/38/31/969393831.db2.gz ITVLOQAVYROMGN-ZSBIGDGJSA-N 2 1 225.380 1.281 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078355 969395553 /nfs/dbraw/zinc/39/55/53/969395553.db2.gz DKTIHLPDDWBLLX-KKOKHZNYSA-N 2 1 212.337 1.236 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078358 969395626 /nfs/dbraw/zinc/39/56/26/969395626.db2.gz DKTIHLPDDWBLLX-YFKTTZPYSA-N 2 1 212.337 1.236 20 0 BDADMP Cn1cnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169078741 969399873 /nfs/dbraw/zinc/39/98/73/969399873.db2.gz FUAGPHLOWHGDQR-BTTYYORXSA-N 2 1 248.374 1.177 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cncc1CC[NH3+])C2 ZINC001169082191 969401944 /nfs/dbraw/zinc/40/19/44/969401944.db2.gz YFHMFMZOEZIWTL-PTEHBNRSSA-N 2 1 234.347 1.182 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccncc1)C2 ZINC001169080288 969402781 /nfs/dbraw/zinc/40/27/81/969402781.db2.gz MHLIXRSHBGDEJK-ZSOGYDGISA-N 2 1 231.343 1.796 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccncc1)C2 ZINC001169080288 969402784 /nfs/dbraw/zinc/40/27/84/969402784.db2.gz MHLIXRSHBGDEJK-ZSOGYDGISA-N 2 1 231.343 1.796 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(C3COC3)C1)C2 ZINC001169125770 969424876 /nfs/dbraw/zinc/42/48/76/969424876.db2.gz LABXZQLDTSIMMK-WDNDVIMCSA-N 2 1 236.359 1.190 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125824 969426076 /nfs/dbraw/zinc/42/60/76/969426076.db2.gz MDHQQFFKWLDFKV-QNSTZXKLSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125824 969426088 /nfs/dbraw/zinc/42/60/88/969426088.db2.gz MDHQQFFKWLDFKV-QNSTZXKLSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125824 969426096 /nfs/dbraw/zinc/42/60/96/969426096.db2.gz MDHQQFFKWLDFKV-QNSTZXKLSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125824 969426101 /nfs/dbraw/zinc/42/61/01/969426101.db2.gz MDHQQFFKWLDFKV-QNSTZXKLSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@](C)(CO)C1)C2 ZINC001169125412 969426632 /nfs/dbraw/zinc/42/66/32/969426632.db2.gz HZCMGCATGSANOX-DGAVXFQQSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@](C)(CO)C1)C2 ZINC001169125412 969426636 /nfs/dbraw/zinc/42/66/36/969426636.db2.gz HZCMGCATGSANOX-DGAVXFQQSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@](C)(CO)C1)C2 ZINC001169125412 969426641 /nfs/dbraw/zinc/42/66/41/969426641.db2.gz HZCMGCATGSANOX-DGAVXFQQSA-N 2 1 238.375 1.316 20 0 BDADMP CN1CC2(C1)CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169152210 969461406 /nfs/dbraw/zinc/46/14/06/969461406.db2.gz AWSRTPFYVUGKQH-WDNDVIMCSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169152210 969461413 /nfs/dbraw/zinc/46/14/13/969461413.db2.gz AWSRTPFYVUGKQH-WDNDVIMCSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169152210 969461423 /nfs/dbraw/zinc/46/14/23/969461423.db2.gz AWSRTPFYVUGKQH-WDNDVIMCSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC[C@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001169148448 969462614 /nfs/dbraw/zinc/46/26/14/969462614.db2.gz ZFKTZPOHGJZLSO-VQJWOFKYSA-N 2 1 249.402 1.248 20 0 BDADMP CN1CC[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001169148448 969462628 /nfs/dbraw/zinc/46/26/28/969462628.db2.gz ZFKTZPOHGJZLSO-VQJWOFKYSA-N 2 1 249.402 1.248 20 0 BDADMP CN1CC[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001169148448 969462643 /nfs/dbraw/zinc/46/26/43/969462643.db2.gz ZFKTZPOHGJZLSO-VQJWOFKYSA-N 2 1 249.402 1.248 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@@H]3CC[N@@H+](C)[C@@H]3C1)C2 ZINC001169148448 969462671 /nfs/dbraw/zinc/46/26/71/969462671.db2.gz ZFKTZPOHGJZLSO-VQJWOFKYSA-N 2 1 249.402 1.248 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@@H]3CC[N@H+](C)[C@@H]3C1)C2 ZINC001169148448 969462683 /nfs/dbraw/zinc/46/26/83/969462683.db2.gz ZFKTZPOHGJZLSO-VQJWOFKYSA-N 2 1 249.402 1.248 20 0 BDADMP C[NH+]1CC[C@H]2CN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001169148448 969462690 /nfs/dbraw/zinc/46/26/90/969462690.db2.gz ZFKTZPOHGJZLSO-VQJWOFKYSA-N 2 1 249.402 1.248 20 0 BDADMP C[NH+]1CC[C@H]2CN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001169148448 969462700 /nfs/dbraw/zinc/46/27/00/969462700.db2.gz ZFKTZPOHGJZLSO-VQJWOFKYSA-N 2 1 249.402 1.248 20 0 BDADMP CO[C@H](C)C1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169154421 969469741 /nfs/dbraw/zinc/46/97/41/969469741.db2.gz QDGFDLRHOJEFRJ-RUZUBIRVSA-N 2 1 238.375 1.578 20 0 BDADMP CCN1CCC([NH2+]C(C)(C)CC[NH+](C)C)CC1 ZINC001169230091 969500742 /nfs/dbraw/zinc/50/07/42/969500742.db2.gz OZWDAUSWZGHRCZ-UHFFFAOYSA-N 2 1 241.423 1.791 20 0 BDADMP CC[N@H+](CCC(=O)OC)C1CC[NH+](CC)CC1 ZINC001169261939 969517853 /nfs/dbraw/zinc/51/78/53/969517853.db2.gz RQWFZHYJJZXROD-UHFFFAOYSA-N 2 1 242.363 1.356 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C1CC[NH+](CC)CC1 ZINC001169261939 969517856 /nfs/dbraw/zinc/51/78/56/969517856.db2.gz RQWFZHYJJZXROD-UHFFFAOYSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001169266644 969524355 /nfs/dbraw/zinc/52/43/55/969524355.db2.gz ZQNQBBKRKZJLQP-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001169266644 969524363 /nfs/dbraw/zinc/52/43/63/969524363.db2.gz ZQNQBBKRKZJLQP-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([NH2+][C@]2(C)CCOC2)CC1 ZINC001169240575 969528507 /nfs/dbraw/zinc/52/85/07/969528507.db2.gz ARFQOOQLKPWKCN-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC3(COC3)C2)CC1 ZINC001169245178 969530252 /nfs/dbraw/zinc/53/02/52/969530252.db2.gz BEVGMGWELDHVGL-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC3(COC3)C2)CC1 ZINC001169245178 969530260 /nfs/dbraw/zinc/53/02/60/969530260.db2.gz BEVGMGWELDHVGL-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001169246544 969533482 /nfs/dbraw/zinc/53/34/82/969533482.db2.gz SKVSIQDTPWNTHB-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001169246544 969533489 /nfs/dbraw/zinc/53/34/89/969533489.db2.gz SKVSIQDTPWNTHB-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@H+](CCOC)C(C)C)CC1 ZINC001169254698 969542542 /nfs/dbraw/zinc/54/25/42/969542542.db2.gz IGLCFNCMXHPOOZ-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CCC([N@@H+](CCOC)C(C)C)CC1 ZINC001169254698 969542552 /nfs/dbraw/zinc/54/25/52/969542552.db2.gz IGLCFNCMXHPOOZ-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CCC[N@H+](CCOC)Cc1c[nH+]ccc1N ZINC001209727070 969580006 /nfs/dbraw/zinc/58/00/06/969580006.db2.gz JEOAWHDBTAXBOE-UHFFFAOYSA-N 2 1 223.320 1.353 20 0 BDADMP CCC[N@@H+](CCOC)Cc1c[nH+]ccc1N ZINC001209727070 969580011 /nfs/dbraw/zinc/58/00/11/969580011.db2.gz JEOAWHDBTAXBOE-UHFFFAOYSA-N 2 1 223.320 1.353 20 0 BDADMP COC[C@@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209728981 969586366 /nfs/dbraw/zinc/58/63/66/969586366.db2.gz YFMMPHIQIUTTNO-NSHDSACASA-N 2 1 221.304 1.105 20 0 BDADMP COC[C@@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209728981 969586390 /nfs/dbraw/zinc/58/63/90/969586390.db2.gz YFMMPHIQIUTTNO-NSHDSACASA-N 2 1 221.304 1.105 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001209728889 969587823 /nfs/dbraw/zinc/58/78/23/969587823.db2.gz XSLQIIJBPSDKGZ-RISCZKNCSA-N 2 1 247.342 1.495 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001209728889 969587828 /nfs/dbraw/zinc/58/78/28/969587828.db2.gz XSLQIIJBPSDKGZ-RISCZKNCSA-N 2 1 247.342 1.495 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1CC2CC(C2)C1 ZINC001209732571 969593271 /nfs/dbraw/zinc/59/32/71/969593271.db2.gz IYEISHUQMFNOCT-UHFFFAOYSA-N 2 1 203.289 1.336 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001209732755 969595770 /nfs/dbraw/zinc/59/57/70/969595770.db2.gz DEQCYRSGNAAATI-PWSUYJOCSA-N 2 1 245.326 1.295 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001209732755 969595771 /nfs/dbraw/zinc/59/57/71/969595771.db2.gz DEQCYRSGNAAATI-PWSUYJOCSA-N 2 1 245.326 1.295 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001209731075 969596768 /nfs/dbraw/zinc/59/67/68/969596768.db2.gz NDWIHCAQAATPOE-JTQLQIEISA-N 2 1 223.295 1.676 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001209731075 969596775 /nfs/dbraw/zinc/59/67/75/969596775.db2.gz NDWIHCAQAATPOE-JTQLQIEISA-N 2 1 223.295 1.676 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCC[C@H]1C[NH3+] ZINC001206011792 969630349 /nfs/dbraw/zinc/63/03/49/969630349.db2.gz GOSPAWZJXHSXMP-YPMHNXCESA-N 2 1 248.374 1.471 20 0 BDADMP CN([C@@H]1CCC[N@@H+](C)CC1)C(C)(C)C[NH3+] ZINC001254506621 969649468 /nfs/dbraw/zinc/64/94/68/969649468.db2.gz VQLXUMMQALXRRP-LLVKDONJSA-N 2 1 213.369 1.140 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)CCO)CC1 ZINC001254500726 969658802 /nfs/dbraw/zinc/65/88/02/969658802.db2.gz KCMKTAGYCHIHSD-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP C[N@H+]1CCC[C@@H](N(CC[NH3+])c2cccnc2)CC1 ZINC001254503652 969667209 /nfs/dbraw/zinc/66/72/09/969667209.db2.gz OJLNRGPZKDOGKW-CYBMUJFWSA-N 2 1 248.374 1.331 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1cncnc1 ZINC001254502530 969668670 /nfs/dbraw/zinc/66/86/70/969668670.db2.gz FHUBZEGYSCYQTQ-WCQYABFASA-N 2 1 234.347 1.612 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cncnc1 ZINC001254502530 969668673 /nfs/dbraw/zinc/66/86/73/969668673.db2.gz FHUBZEGYSCYQTQ-WCQYABFASA-N 2 1 234.347 1.612 20 0 BDADMP Cc1ncncc1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254513866 969681102 /nfs/dbraw/zinc/68/11/02/969681102.db2.gz GRWWMVBOISDNGG-ZDUSSCGKSA-N 2 1 234.347 1.359 20 0 BDADMP Cc1ncncc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254513866 969681114 /nfs/dbraw/zinc/68/11/14/969681114.db2.gz GRWWMVBOISDNGG-ZDUSSCGKSA-N 2 1 234.347 1.359 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CC[C@H]1O ZINC001254517719 969699342 /nfs/dbraw/zinc/69/93/42/969699342.db2.gz YJYQCPFQMQVTHB-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CC[C@H]1O ZINC001254517719 969699347 /nfs/dbraw/zinc/69/93/47/969699347.db2.gz YJYQCPFQMQVTHB-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CC[C@H]1O ZINC001254517719 969699351 /nfs/dbraw/zinc/69/93/51/969699351.db2.gz YJYQCPFQMQVTHB-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@]3(CCOC3)C2)CC1 ZINC001254518516 969699480 /nfs/dbraw/zinc/69/94/80/969699480.db2.gz BVDXJATUMKLJJR-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001254518516 969699487 /nfs/dbraw/zinc/69/94/87/969699487.db2.gz BVDXJATUMKLJJR-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001254518516 969699495 /nfs/dbraw/zinc/69/94/95/969699495.db2.gz BVDXJATUMKLJJR-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]([C@@H]1CCOC1)[C@H]1CCC[NH+](C)CC1 ZINC001254522048 969708712 /nfs/dbraw/zinc/70/87/12/969708712.db2.gz BCOUGOBFKZCYOA-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]([C@@H]1CCOC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522048 969708720 /nfs/dbraw/zinc/70/87/20/969708720.db2.gz BCOUGOBFKZCYOA-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]([C@@H]1CCOC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522048 969708727 /nfs/dbraw/zinc/70/87/27/969708727.db2.gz BCOUGOBFKZCYOA-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[NH+]3CCC[C@H]3C2)CC1 ZINC001254522957 969710677 /nfs/dbraw/zinc/71/06/77/969710677.db2.gz LCMUDPQXVCYXAJ-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@H](N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001254522957 969710682 /nfs/dbraw/zinc/71/06/82/969710682.db2.gz LCMUDPQXVCYXAJ-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@H](N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001254522957 969710689 /nfs/dbraw/zinc/71/06/89/969710689.db2.gz LCMUDPQXVCYXAJ-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP CCCO[C@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254524694 969716148 /nfs/dbraw/zinc/71/61/48/969716148.db2.gz YTCPVYPCMFJMPB-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254524694 969716154 /nfs/dbraw/zinc/71/61/54/969716154.db2.gz YTCPVYPCMFJMPB-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524694 969716156 /nfs/dbraw/zinc/71/61/56/969716156.db2.gz YTCPVYPCMFJMPB-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@]23CCOC3)CC1 ZINC001254529164 969716691 /nfs/dbraw/zinc/71/66/91/969716691.db2.gz KMVFXQGSWIUJQM-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@]23CCOC3)CC1 ZINC001254529164 969716699 /nfs/dbraw/zinc/71/66/99/969716699.db2.gz KMVFXQGSWIUJQM-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@]23CCOC3)CC1 ZINC001254529164 969716706 /nfs/dbraw/zinc/71/67/06/969716706.db2.gz KMVFXQGSWIUJQM-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530602 969725457 /nfs/dbraw/zinc/72/54/57/969725457.db2.gz ZIULRYXSJBBFGR-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530602 969725460 /nfs/dbraw/zinc/72/54/60/969725460.db2.gz ZIULRYXSJBBFGR-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530602 969725466 /nfs/dbraw/zinc/72/54/66/969725466.db2.gz ZIULRYXSJBBFGR-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530602 969725471 /nfs/dbraw/zinc/72/54/71/969725471.db2.gz ZIULRYXSJBBFGR-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccc3c2CC[NH2+]C3)CC1 ZINC001254531013 969728846 /nfs/dbraw/zinc/72/88/46/969728846.db2.gz ISXMGDFDOIEJSK-ZDUSSCGKSA-N 2 1 233.359 1.791 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncc(O)c2)CCC[C@H]1C[NH3+] ZINC001206012764 969737642 /nfs/dbraw/zinc/73/76/42/969737642.db2.gz NPTUJSVRDKUWAF-YPMHNXCESA-N 2 1 249.358 1.594 20 0 BDADMP COc1ccc(NCC[C@H]2CCC[NH2+]2)[nH+]c1C ZINC001169569001 969766261 /nfs/dbraw/zinc/76/62/61/969766261.db2.gz JSJCSYNNQRZSLT-LLVKDONJSA-N 2 1 235.331 1.953 20 0 BDADMP [NH3+]CCc1c[nH+]cn1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254914293 969816961 /nfs/dbraw/zinc/81/69/61/969816961.db2.gz KXPNNZZVRHDIDN-UWVGGRQHSA-N 2 1 233.315 1.315 20 0 BDADMP [NH2+]=CNc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001157080507 970079905 /nfs/dbraw/zinc/07/99/05/970079905.db2.gz YDUCPWXYHAETPJ-UHFFFAOYSA-N 2 1 234.303 1.479 20 0 BDADMP C[C@H]([NH3+])c1nc2ccccc2n1[C@@H]1CC[N@@H+](C)C1 ZINC001255412208 970132645 /nfs/dbraw/zinc/13/26/45/970132645.db2.gz MEYLTPKPWSCUSD-WDEREUQCSA-N 2 1 244.342 1.933 20 0 BDADMP C[N@H+]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255415267 970134563 /nfs/dbraw/zinc/13/45/63/970134563.db2.gz GNTKNYGRHAJGGD-LLVKDONJSA-N 2 1 218.304 1.091 20 0 BDADMP CN1CC[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001255425700 970149112 /nfs/dbraw/zinc/14/91/12/970149112.db2.gz IQRLEZJYUMEBCZ-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP CCN([C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC001255435681 970159285 /nfs/dbraw/zinc/15/92/85/970159285.db2.gz KLCSYHNTEZGULD-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CC[C@@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC001255435254 970161207 /nfs/dbraw/zinc/16/12/07/970161207.db2.gz CMFRDSSYOXIPPJ-CQSZACIVSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN([C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001255492627 970253291 /nfs/dbraw/zinc/25/32/91/970253291.db2.gz IYUAJWMTJZESDD-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP CCN(c1cc2[nH]ccc2c[nH+]1)C1C[NH+](C)C1 ZINC001157455544 970317498 /nfs/dbraw/zinc/31/74/98/970317498.db2.gz OZXIKEDNKCDMDW-UHFFFAOYSA-N 2 1 230.315 1.703 20 0 BDADMP CCc1nc(N2C[C@H](C[NH3+])CC[C@H]2C)cc(C)[nH+]1 ZINC000302537365 970445398 /nfs/dbraw/zinc/44/53/98/970445398.db2.gz SLSCWIMSPDBYLY-NEPJUHHUSA-N 2 1 248.374 1.911 20 0 BDADMP CN1CC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255670058 970448545 /nfs/dbraw/zinc/44/85/45/970448545.db2.gz MKDLWTCTVCXASM-AGUYFDCRSA-N 2 1 237.391 1.153 20 0 BDADMP CC(=O)OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255676410 970450641 /nfs/dbraw/zinc/45/06/41/970450641.db2.gz MNRPFPFDTQBXSF-YHWZYXNKSA-N 2 1 240.347 1.154 20 0 BDADMP C[C@H](Cc1ccccc1F)[NH2+]C1(C[NH3+])CC1 ZINC001255838260 970510844 /nfs/dbraw/zinc/51/08/44/970510844.db2.gz MVVVCCGFQPBFEM-SNVBAGLBSA-N 2 1 222.307 1.838 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1F ZINC001255954263 970586512 /nfs/dbraw/zinc/58/65/12/970586512.db2.gz ZSCUWKXKTCBIPK-AGIUHOORSA-N 2 1 246.370 1.823 20 0 BDADMP O[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256065978 970630016 /nfs/dbraw/zinc/63/00/16/970630016.db2.gz LTBRRCUQNRUJBC-AAEUAGOBSA-N 2 1 224.348 1.116 20 0 BDADMP CCCC[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256067188 970631225 /nfs/dbraw/zinc/63/12/25/970631225.db2.gz FFEMMJXPJXOQTE-CYBMUJFWSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C2CC2)CC1 ZINC001256080157 970645684 /nfs/dbraw/zinc/64/56/84/970645684.db2.gz SKHASGTWUNAIDP-GASCZTMLSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@](C)(O)CC2)CC1 ZINC001256195081 970688165 /nfs/dbraw/zinc/68/81/65/970688165.db2.gz YGNPJUKLDVRKCB-AULYBMBSSA-N 2 1 226.364 1.364 20 0 BDADMP C[NH+]1CCC(N[C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001256198236 970698664 /nfs/dbraw/zinc/69/86/64/970698664.db2.gz GPSZZTCXTRILLO-ZDUSSCGKSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCCC3(COC3)C2)CC1 ZINC001256205167 970702778 /nfs/dbraw/zinc/70/27/78/970702778.db2.gz WVCVRBDQKKGUEV-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC([N@H+]2CCCC3(COC3)C2)CC1 ZINC001256205167 970702789 /nfs/dbraw/zinc/70/27/89/970702789.db2.gz WVCVRBDQKKGUEV-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC([NH+]2CC3(C2)CCCC3)CC1 ZINC001256202633 970702857 /nfs/dbraw/zinc/70/28/57/970702857.db2.gz JMHRLGQTKFYWFA-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC001256208649 970709997 /nfs/dbraw/zinc/70/99/97/970709997.db2.gz LOUQDQAJAKUCDR-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC001256208649 970710003 /nfs/dbraw/zinc/71/00/03/970710003.db2.gz LOUQDQAJAKUCDR-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP COC(=O)CC(C)(C)[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC001327414957 972570751 /nfs/dbraw/zinc/57/07/51/972570751.db2.gz GLAXDLMXPHJLBN-NSHDSACASA-N 2 1 244.379 1.633 20 0 BDADMP CCCCC[C@H](CC)[N@@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246542462 972585922 /nfs/dbraw/zinc/58/59/22/972585922.db2.gz QOHAMCMTZCJSJN-AGIUHOORSA-N 2 1 228.380 1.739 20 0 BDADMP CCCCC[C@H](CC)[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246542462 972585923 /nfs/dbraw/zinc/58/59/23/972585923.db2.gz QOHAMCMTZCJSJN-AGIUHOORSA-N 2 1 228.380 1.739 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246544933 972606536 /nfs/dbraw/zinc/60/65/36/972606536.db2.gz IIMPZRKJLXTAHH-IYXRBSQSSA-N 3 1 239.407 1.672 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545277 972629950 /nfs/dbraw/zinc/62/99/50/972629950.db2.gz VSBLVIOPFPMDQG-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545541 972632859 /nfs/dbraw/zinc/63/28/59/972632859.db2.gz BVEDIIXGIDYQHZ-GHMZBOCLSA-N 2 1 218.316 1.174 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001246548089 972677930 /nfs/dbraw/zinc/67/79/30/972677930.db2.gz QPCPKPPTXRJPRR-UONOGXRCSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001246548089 972677935 /nfs/dbraw/zinc/67/79/35/972677935.db2.gz QPCPKPPTXRJPRR-UONOGXRCSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246551779 972728101 /nfs/dbraw/zinc/72/81/01/972728101.db2.gz RCUMGIMYOBFREG-OLZOCXBDSA-N 2 1 244.354 1.708 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246553886 972745085 /nfs/dbraw/zinc/74/50/85/972745085.db2.gz TVHNJENLXVBIGG-MROQNXINSA-N 2 1 208.349 1.988 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](O)(CF)CC2)CC[NH2+]1 ZINC001246568171 972824110 /nfs/dbraw/zinc/82/41/10/972824110.db2.gz MDANXLFNXZTQNH-JHJVBQTASA-N 2 1 244.354 1.313 20 0 BDADMP COC(=[NH2+])c1cccc(NCC(C)(C)[NH3+])c1 ZINC001171193194 972845392 /nfs/dbraw/zinc/84/53/92/972845392.db2.gz RAOZMOWTANOTNF-UHFFFAOYSA-N 2 1 221.304 1.808 20 0 BDADMP CN(CCC[NH+](C)C)Cc1[nH+]cn2ccccc12 ZINC001144611662 972891076 /nfs/dbraw/zinc/89/10/76/972891076.db2.gz TUZXLXROLADTIY-UHFFFAOYSA-N 2 1 246.358 1.718 20 0 BDADMP CC[C@@H]1C[C@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246579681 972903220 /nfs/dbraw/zinc/90/32/20/972903220.db2.gz CXKCLMUYVYFHSR-MXWKQRLJSA-N 2 1 247.333 1.185 20 0 BDADMP CC1(C)CCC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246586966 972976300 /nfs/dbraw/zinc/97/63/00/972976300.db2.gz UWFWWDCRMNCIBR-TUAOUCFPSA-N 2 1 226.364 1.207 20 0 BDADMP C1C[NH2+]C[C@H]([NH+]2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246627710 973044329 /nfs/dbraw/zinc/04/43/29/973044329.db2.gz WPHCJOSAVXFIDN-CYBMUJFWSA-N 3 1 237.391 1.204 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246634701 973048447 /nfs/dbraw/zinc/04/84/47/973048447.db2.gz AWRPRQATZMDUOJ-TUVASFSCSA-N 3 1 249.402 1.345 20 0 BDADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246850705 973148244 /nfs/dbraw/zinc/14/82/44/973148244.db2.gz DCCKKQVYEUCXND-NTZNESFSSA-N 2 1 220.316 1.634 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246850705 973148256 /nfs/dbraw/zinc/14/82/56/973148256.db2.gz DCCKKQVYEUCXND-NTZNESFSSA-N 2 1 220.316 1.634 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@@H]3CC[C@]3([NH3+])C1)C2 ZINC001246854680 973167005 /nfs/dbraw/zinc/16/70/05/973167005.db2.gz QNXZIYBFVHBBJL-QNSTZXKLSA-N 2 1 235.375 1.035 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246854628 973170719 /nfs/dbraw/zinc/17/07/19/973170719.db2.gz QMDLOAKGZKHEMV-ABXWRUBCSA-N 3 1 237.391 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001246854628 973170728 /nfs/dbraw/zinc/17/07/28/973170728.db2.gz QMDLOAKGZKHEMV-ABXWRUBCSA-N 2 1 237.391 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001246854628 973170739 /nfs/dbraw/zinc/17/07/39/973170739.db2.gz QMDLOAKGZKHEMV-ABXWRUBCSA-N 2 1 237.391 1.282 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860590 973183544 /nfs/dbraw/zinc/18/35/44/973183544.db2.gz NLBFDZWZWUHPHA-GUTXKFCHSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@H]1C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860590 973183556 /nfs/dbraw/zinc/18/35/56/973183556.db2.gz NLBFDZWZWUHPHA-GUTXKFCHSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@H]1C[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860590 973183566 /nfs/dbraw/zinc/18/35/66/973183566.db2.gz NLBFDZWZWUHPHA-GUTXKFCHSA-N 2 1 249.402 1.332 20 0 BDADMP Cc1cccc2c1CC[C@H]([N@@H+]1C[C@@H]3C[C@]3([NH3+])C1)C2 ZINC001246866622 973196265 /nfs/dbraw/zinc/19/62/65/973196265.db2.gz FYGBNYFTMSOATI-DZKIICNBSA-N 2 1 242.366 1.885 20 0 BDADMP Cc1cccc2c1CC[C@H]([N@H+]1C[C@@H]3C[C@]3([NH3+])C1)C2 ZINC001246866622 973196275 /nfs/dbraw/zinc/19/62/75/973196275.db2.gz FYGBNYFTMSOATI-DZKIICNBSA-N 2 1 242.366 1.885 20 0 BDADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3C[C@]3([NH3+])C1)CC2 ZINC001246868709 973224504 /nfs/dbraw/zinc/22/45/04/973224504.db2.gz KTESGVOMBVQOLV-XHSDSOJGSA-N 2 1 242.366 1.885 20 0 BDADMP Cc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3C[C@]3([NH3+])C1)CC2 ZINC001246868709 973224524 /nfs/dbraw/zinc/22/45/24/973224524.db2.gz KTESGVOMBVQOLV-XHSDSOJGSA-N 2 1 242.366 1.885 20 0 BDADMP COC(=O)c1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC001328682419 973266103 /nfs/dbraw/zinc/26/61/03/973266103.db2.gz TZAWMYLTBRZDJZ-NXEZZACHSA-N 2 1 236.315 1.299 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001246874923 973272651 /nfs/dbraw/zinc/27/26/51/973272651.db2.gz WTVMMHHWXVXQBU-OBJOEFQTSA-N 2 1 246.379 1.736 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001246874923 973272662 /nfs/dbraw/zinc/27/26/62/973272662.db2.gz WTVMMHHWXVXQBU-OBJOEFQTSA-N 2 1 246.379 1.736 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H]1CCC[NH2+]C1 ZINC000720891293 973379955 /nfs/dbraw/zinc/37/99/55/973379955.db2.gz DZMJXKMQTVSACY-MELADBBJSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCC[NH2+]C1 ZINC000720891293 973379969 /nfs/dbraw/zinc/37/99/69/973379969.db2.gz DZMJXKMQTVSACY-MELADBBJSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CCC[NH2+]C1 ZINC000720891293 973379981 /nfs/dbraw/zinc/37/99/81/973379981.db2.gz DZMJXKMQTVSACY-MELADBBJSA-N 2 1 237.391 1.155 20 0 BDADMP FC(F)CN1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC001329024756 973434953 /nfs/dbraw/zinc/43/49/53/973434953.db2.gz UHGZZJMPEFQJQV-UHFFFAOYSA-N 2 1 247.333 1.058 20 0 BDADMP C[N@H+](CCO)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246914272 973447304 /nfs/dbraw/zinc/44/73/04/973447304.db2.gz SWADAFQKELJMTL-UONOGXRCSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@@H+](CCO)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246914272 973447307 /nfs/dbraw/zinc/44/73/07/973447307.db2.gz SWADAFQKELJMTL-UONOGXRCSA-N 2 1 234.343 1.404 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)C[C@H]1C ZINC001246986433 973771517 /nfs/dbraw/zinc/77/15/17/973771517.db2.gz DEEARRPLGVIDMF-FVCCEPFGSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]([NH3+])C3(COC3)C2)C[C@H]1C ZINC001246986433 973771524 /nfs/dbraw/zinc/77/15/24/973771524.db2.gz DEEARRPLGVIDMF-FVCCEPFGSA-N 2 1 238.375 1.471 20 0 BDADMP Cn1c[nH+]cc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171322433 973799551 /nfs/dbraw/zinc/79/95/51/973799551.db2.gz WIJXUBLMTKNRKJ-UHFFFAOYSA-N 2 1 227.271 1.218 20 0 BDADMP CC[N@H+]1CCC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224745135 973903584 /nfs/dbraw/zinc/90/35/84/973903584.db2.gz XEKLOHHSYGWOLH-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[N@H+]1CCC[C@H]1CO[C@H]1CCc2nccn2C1 ZINC001224816807 973989983 /nfs/dbraw/zinc/98/99/83/973989983.db2.gz ARLHOHXVNPVTRW-RYUDHWBXSA-N 2 1 235.331 1.309 20 0 BDADMP C[N@@H+]1CCC[C@H]1CO[C@H]1CCc2[nH+]ccn2C1 ZINC001224816807 973989993 /nfs/dbraw/zinc/98/99/93/973989993.db2.gz ARLHOHXVNPVTRW-RYUDHWBXSA-N 2 1 235.331 1.309 20 0 BDADMP C[N@H+]1CCC[C@H]1CO[C@H]1CCc2[nH+]ccn2C1 ZINC001224816807 973990005 /nfs/dbraw/zinc/99/00/05/973990005.db2.gz ARLHOHXVNPVTRW-RYUDHWBXSA-N 2 1 235.331 1.309 20 0 BDADMP CN1CC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619498 974115621 /nfs/dbraw/zinc/11/56/21/974115621.db2.gz MVBKNEYVYCLFBQ-UHFFFAOYSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626099 974118276 /nfs/dbraw/zinc/11/82/76/974118276.db2.gz VQYLXQMUUVXXFI-NSHDSACASA-N 3 1 241.423 1.822 20 0 BDADMP C[NH+](C)CCCCO[C@@H]1CCC[N@@H+](C)C1 ZINC001224993127 974126897 /nfs/dbraw/zinc/12/68/97/974126897.db2.gz ZNFIEFKGSRTKGB-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CSCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153681 974219826 /nfs/dbraw/zinc/21/98/26/974219826.db2.gz DRISWVIAHPDWPF-UWVGGRQHSA-N 2 1 220.357 1.501 20 0 BDADMP CSCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153681 974219840 /nfs/dbraw/zinc/21/98/40/974219840.db2.gz DRISWVIAHPDWPF-UWVGGRQHSA-N 2 1 220.357 1.501 20 0 BDADMP CSCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153680 974223185 /nfs/dbraw/zinc/22/31/85/974223185.db2.gz DRISWVIAHPDWPF-NXEZZACHSA-N 2 1 220.357 1.501 20 0 BDADMP CSCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153680 974223207 /nfs/dbraw/zinc/22/32/07/974223207.db2.gz DRISWVIAHPDWPF-NXEZZACHSA-N 2 1 220.357 1.501 20 0 BDADMP CC1(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)CC[NH2+]CC1 ZINC001206153101 974239790 /nfs/dbraw/zinc/23/97/90/974239790.db2.gz BPJMOQGGYYZCSA-VXGBXAGGSA-N 2 1 243.370 1.137 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC[NH2+]CC1 ZINC001206153101 974239798 /nfs/dbraw/zinc/23/97/98/974239798.db2.gz BPJMOQGGYYZCSA-VXGBXAGGSA-N 3 1 243.370 1.137 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC[NH2+]CC1 ZINC001206153101 974239813 /nfs/dbraw/zinc/23/98/13/974239813.db2.gz BPJMOQGGYYZCSA-VXGBXAGGSA-N 3 1 243.370 1.137 20 0 BDADMP N[C@@H]1CC[N@@H+](CC2CCOCC2)CC[C@H]1F ZINC001206156760 974331647 /nfs/dbraw/zinc/33/16/47/974331647.db2.gz SPDJDMWADWFCED-VXGBXAGGSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCOCC2)CC[C@H]1F ZINC001206156760 974331662 /nfs/dbraw/zinc/33/16/62/974331662.db2.gz SPDJDMWADWFCED-VXGBXAGGSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCOCC2)CC[C@H]1F ZINC001206156760 974331669 /nfs/dbraw/zinc/33/16/69/974331669.db2.gz SPDJDMWADWFCED-VXGBXAGGSA-N 2 1 230.327 1.174 20 0 BDADMP N[C@H]1CC[N@@H+](CC2CCSCC2)CC[C@H]1F ZINC001206156805 974334491 /nfs/dbraw/zinc/33/44/91/974334491.db2.gz SZVRPGOXKPZJAV-NEPJUHHUSA-N 2 1 246.395 1.891 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCSCC2)CC[C@H]1F ZINC001206156805 974334503 /nfs/dbraw/zinc/33/45/03/974334503.db2.gz SZVRPGOXKPZJAV-NEPJUHHUSA-N 2 1 246.395 1.891 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCSCC2)CC[C@H]1F ZINC001206156805 974334515 /nfs/dbraw/zinc/33/45/15/974334515.db2.gz SZVRPGOXKPZJAV-NEPJUHHUSA-N 2 1 246.395 1.891 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)CO)C2 ZINC001172100606 974347025 /nfs/dbraw/zinc/34/70/25/974347025.db2.gz QKARKVZAELDKHO-CLLJXQQHSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cnc(C[NH3+])c1)C2 ZINC001172099876 974347671 /nfs/dbraw/zinc/34/76/71/974347671.db2.gz NTEODASJHDDZML-CLLJXQQHSA-N 2 1 234.347 1.530 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOC1)C2 ZINC001172100956 974347857 /nfs/dbraw/zinc/34/78/57/974347857.db2.gz VBTQXVWHYLTFEP-ZDEQEGDKSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOC1)C2 ZINC001172100956 974347867 /nfs/dbraw/zinc/34/78/67/974347867.db2.gz VBTQXVWHYLTFEP-ZDEQEGDKSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+]3CC[C@H]3C1)C2 ZINC001172133623 974354162 /nfs/dbraw/zinc/35/41/62/974354162.db2.gz UAGREEMBGVHSPQ-XGUBFFRZSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@@H+]3CC[C@H]3C1)C2 ZINC001172133623 974354171 /nfs/dbraw/zinc/35/41/71/974354171.db2.gz UAGREEMBGVHSPQ-XGUBFFRZSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@H+]3CC[C@H]3C1)C2 ZINC001172133623 974354184 /nfs/dbraw/zinc/35/41/84/974354184.db2.gz UAGREEMBGVHSPQ-XGUBFFRZSA-N 2 1 249.402 1.392 20 0 BDADMP CC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103186 974359102 /nfs/dbraw/zinc/35/91/02/974359102.db2.gz UGYUDKIMBYTRDC-RNJOBUHISA-N 2 1 226.364 1.362 20 0 BDADMP COC1(C)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114317 974382816 /nfs/dbraw/zinc/38/28/16/974382816.db2.gz QGGSDJSXJGHMLA-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP COC1(C)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114317 974382823 /nfs/dbraw/zinc/38/28/23/974382823.db2.gz QGGSDJSXJGHMLA-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)C1CC1)C2 ZINC001172119025 974384682 /nfs/dbraw/zinc/38/46/82/974384682.db2.gz VFCWHUSRWHPMCQ-FQUUOJAGSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)C1CC1)C2 ZINC001172119025 974384687 /nfs/dbraw/zinc/38/46/87/974384687.db2.gz VFCWHUSRWHPMCQ-FQUUOJAGSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@H+]([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123973 974389612 /nfs/dbraw/zinc/38/96/12/974389612.db2.gz ICPZAIXQDJWIEH-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123973 974389621 /nfs/dbraw/zinc/38/96/21/974389621.db2.gz ICPZAIXQDJWIEH-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123973 974389625 /nfs/dbraw/zinc/38/96/25/974389625.db2.gz ICPZAIXQDJWIEH-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123973 974389632 /nfs/dbraw/zinc/38/96/32/974389632.db2.gz ICPZAIXQDJWIEH-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1CO)C2 ZINC001172122241 974390218 /nfs/dbraw/zinc/39/02/18/974390218.db2.gz YEBXZCNDMPXGLF-RFQIPJPRSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1CO)C2 ZINC001172122241 974390226 /nfs/dbraw/zinc/39/02/26/974390226.db2.gz YEBXZCNDMPXGLF-RFQIPJPRSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1CO)C2 ZINC001172122241 974390231 /nfs/dbraw/zinc/39/02/31/974390231.db2.gz YEBXZCNDMPXGLF-RFQIPJPRSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1CO)C2 ZINC001172122241 974390240 /nfs/dbraw/zinc/39/02/40/974390240.db2.gz YEBXZCNDMPXGLF-RFQIPJPRSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+](C)Cc1ccc(O[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001225330719 974405060 /nfs/dbraw/zinc/40/50/60/974405060.db2.gz OMYPISIFHHATND-CQSZACIVSA-N 2 1 234.343 1.831 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226046 974461243 /nfs/dbraw/zinc/46/12/43/974461243.db2.gz NGFNIICSCRWIMI-YOGCLGLASA-N 2 1 235.331 1.657 20 0 BDADMP C[NH+]1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172229425 974468441 /nfs/dbraw/zinc/46/84/41/974468441.db2.gz LQEGZXWXMGPNND-YHWZYXNKSA-N 2 1 222.332 1.156 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233409 974476340 /nfs/dbraw/zinc/47/63/40/974476340.db2.gz YDGBQPIYPJKFHN-YHWZYXNKSA-N 2 1 224.348 1.532 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1C[C@@H]3C=C[C@H](C1)O3)C2 ZINC001172233045 974477343 /nfs/dbraw/zinc/47/73/43/974477343.db2.gz PEAUUFWUIUBYPV-MCBYNNTKSA-N 2 1 248.370 1.687 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001330832818 974496140 /nfs/dbraw/zinc/49/61/40/974496140.db2.gz UCJLUWKPVVFGFT-UHFFFAOYSA-N 2 1 248.374 1.418 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172314802 974522940 /nfs/dbraw/zinc/52/29/40/974522940.db2.gz DUQPYLNNCMNPOA-WOPDTQHZSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172314802 974522942 /nfs/dbraw/zinc/52/29/42/974522942.db2.gz DUQPYLNNCMNPOA-WOPDTQHZSA-N 2 1 214.353 1.613 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)[nH]1 ZINC001206164168 974633453 /nfs/dbraw/zinc/63/34/53/974633453.db2.gz JHTQULWHKBUDCZ-NEPJUHHUSA-N 2 1 225.311 1.584 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)[nH]1 ZINC001206164168 974633459 /nfs/dbraw/zinc/63/34/59/974633459.db2.gz JHTQULWHKBUDCZ-NEPJUHHUSA-N 2 1 225.311 1.584 20 0 BDADMP CCOCC[C@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC001172422679 974696382 /nfs/dbraw/zinc/69/63/82/974696382.db2.gz GZQHXJKDYXTEKO-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172430929 974713670 /nfs/dbraw/zinc/71/36/70/974713670.db2.gz KGFSFYGRCDKIKC-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172433625 974717828 /nfs/dbraw/zinc/71/78/28/974717828.db2.gz KDXSVALMNKOVIW-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172434415 974721679 /nfs/dbraw/zinc/72/16/79/974721679.db2.gz WGTRSKQNEWMXMP-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2CC[C@H](N)C2)CC1 ZINC001172793631 974943855 /nfs/dbraw/zinc/94/38/55/974943855.db2.gz VRLRSDLNGORVKN-SDDRHHMPSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001172793631 974943863 /nfs/dbraw/zinc/94/38/63/974943863.db2.gz VRLRSDLNGORVKN-SDDRHHMPSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001172793631 974943877 /nfs/dbraw/zinc/94/38/77/974943877.db2.gz VRLRSDLNGORVKN-SDDRHHMPSA-N 2 1 240.347 1.141 20 0 BDADMP CO[C@@H]1CCC[C@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001172915818 974965790 /nfs/dbraw/zinc/96/57/90/974965790.db2.gz WYMCVWFRWTXZPL-CMPLNLGQSA-N 2 1 223.320 1.514 20 0 BDADMP CO[C@H]1CCC[C@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001172934125 974986725 /nfs/dbraw/zinc/98/67/25/974986725.db2.gz QDCFBZTTYMTATP-RYUDHWBXSA-N 2 1 237.347 1.905 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC[NH2+]C1 ZINC001332338367 975061635 /nfs/dbraw/zinc/06/16/35/975061635.db2.gz CURGSCINSVJWIA-IHRRRGAJSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(F)n2)C12CCC2 ZINC001332422775 975108895 /nfs/dbraw/zinc/10/88/95/975108895.db2.gz YKSVSKFGSJFDEV-GHMZBOCLSA-N 2 1 235.306 1.580 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH3+] ZINC001332507729 975181614 /nfs/dbraw/zinc/18/16/14/975181614.db2.gz RPVRXDCQJJLYRG-UHFFFAOYSA-N 2 1 249.358 1.102 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](CC)C1 ZINC001173350484 975297317 /nfs/dbraw/zinc/29/73/17/975297317.db2.gz PAXJXNFIMAIFKT-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](CC)C1 ZINC001173350484 975297323 /nfs/dbraw/zinc/29/73/23/975297323.db2.gz PAXJXNFIMAIFKT-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](CC)C1 ZINC001173350484 975297329 /nfs/dbraw/zinc/29/73/29/975297329.db2.gz PAXJXNFIMAIFKT-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001173352496 975301705 /nfs/dbraw/zinc/30/17/05/975301705.db2.gz NSIAXSUJFABWQZ-CYBMUJFWSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@@H](n2c(C[NH3+])nc3cnccc32)C1 ZINC001173356869 975313227 /nfs/dbraw/zinc/31/32/27/975313227.db2.gz GYHTWDSESQQQMA-SNVBAGLBSA-N 2 1 245.330 1.157 20 0 BDADMP CC[N@H+]1CC[C@@H](NC(C)(C)C(C)(C)[NH3+])C1 ZINC001173360308 975328060 /nfs/dbraw/zinc/32/80/60/975328060.db2.gz NWGIETFKVSNEKD-SNVBAGLBSA-N 2 1 213.369 1.186 20 0 BDADMP CCN1CC[C@@H]([NH2+]C(C)(C)C(C)(C)[NH3+])C1 ZINC001173360308 975328065 /nfs/dbraw/zinc/32/80/65/975328065.db2.gz NWGIETFKVSNEKD-SNVBAGLBSA-N 2 1 213.369 1.186 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@H]2C[NH+](C)C)C1 ZINC001173366021 975346781 /nfs/dbraw/zinc/34/67/81/975346781.db2.gz VFJBBGBGELAYQI-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C)C(C)(C)C2)C1 ZINC001173373454 975361038 /nfs/dbraw/zinc/36/10/38/975361038.db2.gz XHBYSGOKKBPSJO-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001173373454 975361048 /nfs/dbraw/zinc/36/10/48/975361048.db2.gz XHBYSGOKKBPSJO-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001173373454 975361057 /nfs/dbraw/zinc/36/10/57/975361057.db2.gz XHBYSGOKKBPSJO-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC001333528896 975830367 /nfs/dbraw/zinc/83/03/67/975830367.db2.gz IJPFJOAOXPKNNF-PEDHHIEDSA-N 2 1 238.375 1.349 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC001333528894 975832480 /nfs/dbraw/zinc/83/24/80/975832480.db2.gz IJPFJOAOXPKNNF-DGTMBMJNSA-N 2 1 238.375 1.349 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001333599545 975881739 /nfs/dbraw/zinc/88/17/39/975881739.db2.gz XBWLCKWGDMKZDC-IJLUTSLNSA-N 3 1 227.396 1.480 20 0 BDADMP CC[C@H](C)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070174 977256106 /nfs/dbraw/zinc/25/61/06/977256106.db2.gz LIJODDKFWIIBLA-OBPIAQAESA-N 2 1 210.365 1.913 20 0 BDADMP CC[C@H](C)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070174 977256114 /nfs/dbraw/zinc/25/61/14/977256114.db2.gz LIJODDKFWIIBLA-OBPIAQAESA-N 2 1 210.365 1.913 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CCC(C)C)C1 ZINC001335935885 977374968 /nfs/dbraw/zinc/37/49/68/977374968.db2.gz YPFVPZVVYZAFSN-ZIAGYGMSSA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CCC(C)C)C1 ZINC001335935881 977375002 /nfs/dbraw/zinc/37/50/02/977375002.db2.gz YPFVPZVVYZAFSN-KGLIPLIRSA-N 2 1 242.407 1.715 20 0 BDADMP C[N@@H+]1CCC=C(Nc2ccc3[nH+]ccn3c2)C1 ZINC001175575466 977580876 /nfs/dbraw/zinc/58/08/76/977580876.db2.gz WTILRXJLROYGAV-UHFFFAOYSA-N 2 1 228.299 1.966 20 0 BDADMP C[N@H+]1CCC=C(Nc2ccc3[nH+]ccn3c2)C1 ZINC001175575466 977580882 /nfs/dbraw/zinc/58/08/82/977580882.db2.gz WTILRXJLROYGAV-UHFFFAOYSA-N 2 1 228.299 1.966 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001336264045 977606456 /nfs/dbraw/zinc/60/64/56/977606456.db2.gz XHVDUYAWKYOXSK-NWDGAFQWSA-N 3 1 227.396 1.352 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](CCn1ccnc1)CC2 ZINC001277544704 977661881 /nfs/dbraw/zinc/66/18/81/977661881.db2.gz OLRNXXMXAMKCNF-UHFFFAOYSA-N 2 1 248.374 1.301 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176281683 978007414 /nfs/dbraw/zinc/00/74/14/978007414.db2.gz ONYITLPOOFENAP-UPJWGTAASA-N 2 1 249.358 1.361 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)[nH+]1 ZINC001336870255 978014209 /nfs/dbraw/zinc/01/42/09/978014209.db2.gz FLBKLBGDURLLGI-OUAUKWLOSA-N 2 1 247.346 1.119 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3cc(F)ccn3)C[C@@H]2C1 ZINC001232493404 978147960 /nfs/dbraw/zinc/14/79/60/978147960.db2.gz UPKJILSOENMHRP-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)ccn3)C[C@@H]2C1 ZINC001232493404 978147964 /nfs/dbraw/zinc/14/79/64/978147964.db2.gz UPKJILSOENMHRP-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)ccn3)C[C@@H]2C1 ZINC001232493404 978147971 /nfs/dbraw/zinc/14/79/71/978147971.db2.gz UPKJILSOENMHRP-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)ccn3)C[C@@H]2C1 ZINC001232493404 978147977 /nfs/dbraw/zinc/14/79/77/978147977.db2.gz UPKJILSOENMHRP-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccn3)C[C@@H]2C1 ZINC001232493404 978147985 /nfs/dbraw/zinc/14/79/85/978147985.db2.gz UPKJILSOENMHRP-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)ccn1)CC2 ZINC001232500214 978152929 /nfs/dbraw/zinc/15/29/29/978152929.db2.gz ZPEZUFVDZKZJBD-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2C[C@@H]3CCCC[C@H]3C2)O1 ZINC001206285278 978200966 /nfs/dbraw/zinc/20/09/66/978200966.db2.gz KRELEXGQSNYKMV-AVGNSLFASA-N 2 1 238.375 1.833 20 0 BDADMP C[N@@H+]1CCO[C@@]2(CCCN(c3cc[nH+]cc3)C2)C1 ZINC001277694712 978212380 /nfs/dbraw/zinc/21/23/80/978212380.db2.gz UJQAWFCWECPJTR-AWEZNQCLSA-N 2 1 247.342 1.383 20 0 BDADMP C[N@H+]1CCO[C@@]2(CCCN(c3cc[nH+]cc3)C2)C1 ZINC001277694712 978212385 /nfs/dbraw/zinc/21/23/85/978212385.db2.gz UJQAWFCWECPJTR-AWEZNQCLSA-N 2 1 247.342 1.383 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)[nH]n1 ZINC001206292447 978283630 /nfs/dbraw/zinc/28/36/30/978283630.db2.gz AXKZNCGRFYNHFI-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)n[nH]1 ZINC001206292447 978283640 /nfs/dbraw/zinc/28/36/40/978283640.db2.gz AXKZNCGRFYNHFI-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n[nH]1 ZINC001206292447 978283647 /nfs/dbraw/zinc/28/36/47/978283647.db2.gz AXKZNCGRFYNHFI-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OCCC[NH+](C)C)C1 ZINC001206296079 978299030 /nfs/dbraw/zinc/29/90/30/978299030.db2.gz JWGOUOFEQOXBAC-GFCCVEGCSA-N 2 1 214.353 1.437 20 0 BDADMP C[NH+](C)CCCO[C@@H]1CCc2[nH+]ccn2C1 ZINC001206296451 978313581 /nfs/dbraw/zinc/31/35/81/978313581.db2.gz NCASOJCSWOXTMO-LLVKDONJSA-N 2 1 223.320 1.166 20 0 BDADMP CC[C@H]1COCC[N@@H+]1CCNc1cc[nH+]cc1 ZINC001337682615 978456999 /nfs/dbraw/zinc/45/69/99/978456999.db2.gz NCCILWUCKKSNGL-ZDUSSCGKSA-N 2 1 235.331 1.026 20 0 BDADMP CC[C@H]1COCC[N@H+]1CCNc1cc[nH+]cc1 ZINC001337682615 978457008 /nfs/dbraw/zinc/45/70/08/978457008.db2.gz NCCILWUCKKSNGL-ZDUSSCGKSA-N 2 1 235.331 1.026 20 0 BDADMP C[C@@H]1C[N@H+](CCNc2cc[nH+]cc2)[C@H](C)CO1 ZINC001337726654 978473536 /nfs/dbraw/zinc/47/35/36/978473536.db2.gz QLNZHSGLTJRISW-VXGBXAGGSA-N 2 1 235.331 1.025 20 0 BDADMP C[C@@H]1C[N@@H+](CCNc2cc[nH+]cc2)[C@H](C)CO1 ZINC001337726654 978473545 /nfs/dbraw/zinc/47/35/45/978473545.db2.gz QLNZHSGLTJRISW-VXGBXAGGSA-N 2 1 235.331 1.025 20 0 BDADMP CC[C@@H](CNc1cc[nH+]c(N)n1)[NH+]1CCCC1 ZINC001337804309 978504808 /nfs/dbraw/zinc/50/48/08/978504808.db2.gz BZNSMPQYLMHKIC-JTQLQIEISA-N 2 1 235.335 1.345 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001206337321 978602240 /nfs/dbraw/zinc/60/22/40/978602240.db2.gz SYGFTWYRBFFCPC-STQMWFEESA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001206337321 978602245 /nfs/dbraw/zinc/60/22/45/978602245.db2.gz SYGFTWYRBFFCPC-STQMWFEESA-N 2 1 244.354 1.566 20 0 BDADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)nn1 ZINC001178916950 978644384 /nfs/dbraw/zinc/64/43/84/978644384.db2.gz RXKUKXCQFYEIBA-CYBMUJFWSA-N 2 1 248.374 1.607 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000069863044 978766443 /nfs/dbraw/zinc/76/64/43/978766443.db2.gz FTXWAEUYJYVBPD-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CCCCCCN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234981543 978941557 /nfs/dbraw/zinc/94/15/57/978941557.db2.gz NYYMNDPEIWUODQ-ZDUSSCGKSA-N 2 1 225.380 1.204 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001339998983 978953195 /nfs/dbraw/zinc/95/31/95/978953195.db2.gz LIJKREZLQKCEKQ-SGMGOOAPSA-N 2 1 231.343 1.564 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052936 978963102 /nfs/dbraw/zinc/96/31/02/978963102.db2.gz GXWNHYMCXGNJIR-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP CC(C)CCC[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054509 978965514 /nfs/dbraw/zinc/96/55/14/978965514.db2.gz NFYUAZGQIAQQCH-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@H+]1CCC[C@@]2(CCC[NH+](C3CC3)C2)C1 ZINC001277921912 978974560 /nfs/dbraw/zinc/97/45/60/978974560.db2.gz HSWYHXIWWUEMQY-CYBMUJFWSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](C3CC3)C2)C1 ZINC001277921912 978974563 /nfs/dbraw/zinc/97/45/63/978974563.db2.gz HSWYHXIWWUEMQY-CYBMUJFWSA-N 2 1 208.349 1.957 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088693 978974904 /nfs/dbraw/zinc/97/49/04/978974904.db2.gz KQECVAUKFDBDEA-HLTSFMKQSA-N 2 1 204.264 1.311 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088693 978974912 /nfs/dbraw/zinc/97/49/12/978974912.db2.gz KQECVAUKFDBDEA-HLTSFMKQSA-N 2 1 204.264 1.311 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CCN(Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001235156326 978984700 /nfs/dbraw/zinc/98/47/00/978984700.db2.gz KNUKPJJJOURVBV-SMDDNHRTSA-N 2 1 242.326 1.486 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235221811 978998415 /nfs/dbraw/zinc/99/84/15/978998415.db2.gz FGGWXOSBIFEKHG-YIZRAAEISA-N 2 1 204.264 1.311 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235221811 978998423 /nfs/dbraw/zinc/99/84/23/978998423.db2.gz FGGWXOSBIFEKHG-YIZRAAEISA-N 2 1 204.264 1.311 20 0 BDADMP OCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422219 979043657 /nfs/dbraw/zinc/04/36/57/979043657.db2.gz ADDZBJVROCPVJS-QWHCGFSZSA-N 2 1 226.364 1.080 20 0 BDADMP CO[C@H]1CCC[C@@H]2C[N@@H+](CCCC[NH3+])C[C@@H]21 ZINC001235626281 979105837 /nfs/dbraw/zinc/10/58/37/979105837.db2.gz UISYESVRQFXCDT-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[NH2+]CC1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC001235678075 979116392 /nfs/dbraw/zinc/11/63/92/979116392.db2.gz IGWBCQLJTJGZTQ-OAHLLOKOSA-N 2 1 247.386 1.618 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CNC(C)(C)O2)[C@H]1C ZINC001235695621 979125721 /nfs/dbraw/zinc/12/57/21/979125721.db2.gz XEHPZWFDADTZQN-WOPDTQHZSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1C ZINC001235695621 979125725 /nfs/dbraw/zinc/12/57/25/979125725.db2.gz XEHPZWFDADTZQN-WOPDTQHZSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1C ZINC001235695621 979125729 /nfs/dbraw/zinc/12/57/29/979125729.db2.gz XEHPZWFDADTZQN-WOPDTQHZSA-N 2 1 226.364 1.831 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)C[C@H](O)C2CC2)CC1 ZINC001181507174 979126788 /nfs/dbraw/zinc/12/67/88/979126788.db2.gz ZLEZIXKKKYRFAF-AWEZNQCLSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCC[NH2+]1 ZINC001235713817 979130126 /nfs/dbraw/zinc/13/01/26/979130126.db2.gz GKOUOCSYCSYZTP-CQSZACIVSA-N 3 1 239.407 1.450 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCC[NH2+]1 ZINC001235713817 979130136 /nfs/dbraw/zinc/13/01/36/979130136.db2.gz GKOUOCSYCSYZTP-CQSZACIVSA-N 3 1 239.407 1.450 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340882276 979137702 /nfs/dbraw/zinc/13/77/02/979137702.db2.gz SNZLQPAOOKZRHZ-UHFFFAOYSA-N 2 1 247.342 1.569 20 0 BDADMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC001235892320 979185282 /nfs/dbraw/zinc/18/52/82/979185282.db2.gz PEYLVBHQGUNHCF-AAEUAGOBSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC001235892320 979185292 /nfs/dbraw/zinc/18/52/92/979185292.db2.gz PEYLVBHQGUNHCF-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@H](N)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235892320 979185298 /nfs/dbraw/zinc/18/52/98/979185298.db2.gz PEYLVBHQGUNHCF-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@H](N)C[N@H+]1CCC1CC[NH2+]CC1 ZINC001235892320 979185302 /nfs/dbraw/zinc/18/53/02/979185302.db2.gz PEYLVBHQGUNHCF-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP CO[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235896848 979189303 /nfs/dbraw/zinc/18/93/03/979189303.db2.gz DBPGBXZTKKNTKT-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235896848 979189312 /nfs/dbraw/zinc/18/93/12/979189312.db2.gz DBPGBXZTKKNTKT-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H](N)Cc1ccccc1 ZINC001235905948 979198540 /nfs/dbraw/zinc/19/85/40/979198540.db2.gz UQQHKAMPBNAHAW-BPLDGKMQSA-N 2 1 248.370 1.402 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1C[C@H](N)Cc1ccccc1 ZINC001235905948 979198551 /nfs/dbraw/zinc/19/85/51/979198551.db2.gz UQQHKAMPBNAHAW-BPLDGKMQSA-N 2 1 248.370 1.402 20 0 BDADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235948366 979216954 /nfs/dbraw/zinc/21/69/54/979216954.db2.gz MPVWICKTKNZBGB-UTUOFQBUSA-N 2 1 226.364 1.689 20 0 BDADMP CC(C)[N@@H+](CCN)CC1CC2(C1)CC[NH2+]CC2 ZINC001235948523 979219893 /nfs/dbraw/zinc/21/98/93/979219893.db2.gz NTWPNYWRVYIEKZ-UHFFFAOYSA-N 2 1 239.407 1.435 20 0 BDADMP CCC[N@H+](CCc1ccccn1)C[C@@H](C)[NH3+] ZINC001235963906 979236532 /nfs/dbraw/zinc/23/65/32/979236532.db2.gz XYKAMPMKHSWNEN-GFCCVEGCSA-N 2 1 221.348 1.683 20 0 BDADMP CCC[N@@H+](CCc1ccccn1)C[C@@H](C)[NH3+] ZINC001235963906 979236544 /nfs/dbraw/zinc/23/65/44/979236544.db2.gz XYKAMPMKHSWNEN-GFCCVEGCSA-N 2 1 221.348 1.683 20 0 BDADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCO ZINC001235973950 979242186 /nfs/dbraw/zinc/24/21/86/979242186.db2.gz QITPYDRMDQSLPL-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCO ZINC001235973950 979242196 /nfs/dbraw/zinc/24/21/96/979242196.db2.gz QITPYDRMDQSLPL-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCO ZINC001235973950 979242204 /nfs/dbraw/zinc/24/22/04/979242204.db2.gz QITPYDRMDQSLPL-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP COc1ccc(CC[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235980594 979250169 /nfs/dbraw/zinc/25/01/69/979250169.db2.gz RDYMSRHPJFTMTP-DZGCQCFKSA-N 2 1 246.354 1.661 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235980594 979250182 /nfs/dbraw/zinc/25/01/82/979250182.db2.gz RDYMSRHPJFTMTP-DZGCQCFKSA-N 2 1 246.354 1.661 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001235981106 979258816 /nfs/dbraw/zinc/25/88/16/979258816.db2.gz UNNJOCKWFFSBOW-AGIUHOORSA-N 2 1 206.333 1.766 20 0 BDADMP CC[N@H+](CCCCC[NH3+])[C@H]1CCCNC1 ZINC001236007342 979298106 /nfs/dbraw/zinc/29/81/06/979298106.db2.gz YECUCXGSLNPHPY-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP CC[N@@H+](CCCCC[NH3+])[C@H]1CCCNC1 ZINC001236007342 979298123 /nfs/dbraw/zinc/29/81/23/979298123.db2.gz YECUCXGSLNPHPY-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP C[C@@H]1CC(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@@H](C)O1 ZINC001236017516 979308224 /nfs/dbraw/zinc/30/82/24/979308224.db2.gz SISQOPUKAMVAQL-AAXDQBDMSA-N 2 1 224.348 1.223 20 0 BDADMP C[C@@H]1CC(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@@H](C)O1 ZINC001236017516 979308238 /nfs/dbraw/zinc/30/82/38/979308238.db2.gz SISQOPUKAMVAQL-AAXDQBDMSA-N 2 1 224.348 1.223 20 0 BDADMP CCOC(=O)[C@]1(C)CCC[N@@H+](CCCC[NH3+])C1 ZINC001236071224 979356230 /nfs/dbraw/zinc/35/62/30/979356230.db2.gz GMMVAINQRZXUGL-CYBMUJFWSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(C[NH3+])c2)CCC[NH2+]1 ZINC001236101676 979387975 /nfs/dbraw/zinc/38/79/75/979387975.db2.gz ZFWXTMJUCVVCMA-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)CCC[NH2+]1 ZINC001236101676 979387981 /nfs/dbraw/zinc/38/79/81/979387981.db2.gz ZFWXTMJUCVVCMA-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@H]1C[N@H+](CC2(C)CC[NH2+]CC2)CCCN1 ZINC001236098174 979388646 /nfs/dbraw/zinc/38/86/46/979388646.db2.gz PBXCIYJXUFOGDA-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)CCCN1 ZINC001236098174 979388650 /nfs/dbraw/zinc/38/86/50/979388650.db2.gz PBXCIYJXUFOGDA-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CCCCC[NH3+] ZINC001236131617 979405814 /nfs/dbraw/zinc/40/58/14/979405814.db2.gz DKFNZQSRINIYOY-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CCCCC[NH3+] ZINC001236131617 979405826 /nfs/dbraw/zinc/40/58/26/979405826.db2.gz DKFNZQSRINIYOY-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP C[N@@H+](CCCC[NH3+])Cc1c(F)ccc(N)c1F ZINC001236141591 979408310 /nfs/dbraw/zinc/40/83/10/979408310.db2.gz KTGFYZUGSOKBDF-UHFFFAOYSA-N 2 1 243.301 1.718 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222058 979454539 /nfs/dbraw/zinc/45/45/39/979454539.db2.gz KQLZFLKKMLORON-IHRRRGAJSA-N 3 1 239.407 1.720 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccn1 ZINC001236314704 979524332 /nfs/dbraw/zinc/52/43/32/979524332.db2.gz FQDMKFUIYRATLN-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP Cn1cccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315032 979525170 /nfs/dbraw/zinc/52/51/70/979525170.db2.gz UZDRMECBIFHFET-BETUJISGSA-N 2 1 233.359 1.457 20 0 BDADMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cnn1C ZINC001236317151 979528093 /nfs/dbraw/zinc/52/80/93/979528093.db2.gz UJGLEXDMABPVSJ-BETUJISGSA-N 2 1 248.374 1.160 20 0 BDADMP Cc1ncoc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320658 979531874 /nfs/dbraw/zinc/53/18/74/979531874.db2.gz SUOBDEDTIKDWBY-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP CC/C=C\CCCCC[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512912 979534179 /nfs/dbraw/zinc/53/41/79/979534179.db2.gz VYKBKDVGXDVYPI-NMEQGOOXSA-N 2 1 240.391 1.764 20 0 BDADMP CCC[N@@H+](CCCCCO)CCC[NH+](C)C ZINC001236322975 979535406 /nfs/dbraw/zinc/53/54/06/979535406.db2.gz WGCATWBPIVNDPI-UHFFFAOYSA-N 2 1 230.396 1.813 20 0 BDADMP Nc1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC001236354788 979549092 /nfs/dbraw/zinc/54/90/92/979549092.db2.gz LMKNBSKQSCIVPG-GFCCVEGCSA-N 2 1 245.370 1.627 20 0 BDADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001236421633 979589540 /nfs/dbraw/zinc/58/95/40/979589540.db2.gz VYBYFJWMBNWCLK-SMDDNHRTSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2c1CCN2 ZINC001236421633 979589552 /nfs/dbraw/zinc/58/95/52/979589552.db2.gz VYBYFJWMBNWCLK-SMDDNHRTSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001236422961 979591727 /nfs/dbraw/zinc/59/17/27/979591727.db2.gz KKZZKZYJTKNWOP-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[N@H+](CCCC[NH3+])[C@@H]1CCCNC1 ZINC001236468926 979605157 /nfs/dbraw/zinc/60/51/57/979605157.db2.gz OCKXSCLCUCDHGI-GFCCVEGCSA-N 2 1 213.369 1.188 20 0 BDADMP CC(C)[N@@H+](CCCC[NH3+])[C@@H]1CCCNC1 ZINC001236468926 979605160 /nfs/dbraw/zinc/60/51/60/979605160.db2.gz OCKXSCLCUCDHGI-GFCCVEGCSA-N 2 1 213.369 1.188 20 0 BDADMP C1=CO[C@H](C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237379376 979877505 /nfs/dbraw/zinc/87/75/05/979877505.db2.gz BBTDXYFEZQFWMF-HZSPNIEDSA-N 2 1 236.359 1.753 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(C(F)F)C3)[C@H]2C1 ZINC001184389161 980063743 /nfs/dbraw/zinc/06/37/43/980063743.db2.gz VIHOCNCPJBEKFK-RFAQPDLFSA-N 2 1 244.329 1.960 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(C[NH3+])c2)C[C@@H]1C[NH3+] ZINC001205317988 980152485 /nfs/dbraw/zinc/15/24/85/980152485.db2.gz RKMOUOKOQSJBOR-WFASDCNBSA-N 2 1 247.386 1.562 20 0 BDADMP C[C@H]1CCN(Cc2cccc(C[NH3+])c2)C[C@@H]1C[NH3+] ZINC001205317988 980152490 /nfs/dbraw/zinc/15/24/90/980152490.db2.gz RKMOUOKOQSJBOR-WFASDCNBSA-N 2 1 247.386 1.562 20 0 BDADMP C([C@H]1CC2CCC1CC2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000691658327 980382126 /nfs/dbraw/zinc/38/21/26/980382126.db2.gz WEVHNQCTLBRKID-ODGNXRKOSA-N 2 1 234.387 1.964 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001345100335 980547570 /nfs/dbraw/zinc/54/75/70/980547570.db2.gz PHBDTKFJXFRRPL-RBKKPWLPSA-N 2 1 240.391 1.453 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001345100335 980547576 /nfs/dbraw/zinc/54/75/76/980547576.db2.gz PHBDTKFJXFRRPL-RBKKPWLPSA-N 2 1 240.391 1.453 20 0 BDADMP CCc1[nH]c(CN(CC)CC[NH+](C)C)c(C)[nH+]1 ZINC001203233946 980698904 /nfs/dbraw/zinc/69/89/04/980698904.db2.gz IYZMWRHSMKHAGZ-UHFFFAOYSA-N 2 1 238.379 1.664 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001205537921 980909304 /nfs/dbraw/zinc/90/93/04/980909304.db2.gz KPNXBFXHZOUXLF-STQMWFEESA-N 3 1 243.370 1.139 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCC(=O)NC ZINC001347146085 980989889 /nfs/dbraw/zinc/98/98/89/980989889.db2.gz XKZZWJLQAXDTLE-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCC(=O)NC ZINC001347146085 980989896 /nfs/dbraw/zinc/98/98/96/980989896.db2.gz XKZZWJLQAXDTLE-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)O)C1 ZINC001191257055 981003321 /nfs/dbraw/zinc/00/33/21/981003321.db2.gz IPJLDPNEALYHEZ-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602373 981162900 /nfs/dbraw/zinc/16/29/00/981162900.db2.gz IHJMNTQNUSTDCF-QJPTWQEYSA-N 2 1 242.363 1.102 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cncn2C)CC[C@H]1C[NH3+] ZINC001205602746 981168997 /nfs/dbraw/zinc/16/89/97/981168997.db2.gz MAWCNLWGTBZDQY-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnc2)CC[C@H]1C[NH3+] ZINC001205604823 981180984 /nfs/dbraw/zinc/18/09/84/981180984.db2.gz XVNUKWPSMGXEBD-JSGCOSHPSA-N 2 1 233.359 1.888 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cccnc1 ZINC001348853225 981461376 /nfs/dbraw/zinc/46/13/76/981461376.db2.gz SNBYDXPTRMPBCV-QWRGUYRKSA-N 2 1 207.321 1.730 20 0 BDADMP c1ccc([C@H]2CC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC001580892653 981722971 /nfs/dbraw/zinc/72/29/71/981722971.db2.gz AZNHFPXJRPPUDM-OAHLLOKOSA-N 2 1 245.370 1.339 20 0 BDADMP Cc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205662938 981769066 /nfs/dbraw/zinc/76/90/66/981769066.db2.gz FZOWBJRQZDUROU-HNNXBMFYSA-N 2 1 248.370 1.671 20 0 BDADMP Cc1ccc(C=C2CC[NH2+]CC2)[nH+]c1N ZINC001240873703 981911502 /nfs/dbraw/zinc/91/15/02/981911502.db2.gz HLXLRABWDWNJAR-UHFFFAOYSA-N 2 1 203.289 1.739 20 0 BDADMP Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)nc1 ZINC001205681661 981980181 /nfs/dbraw/zinc/98/01/81/981980181.db2.gz LSQSJMPXIJLVBI-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)nc1 ZINC001205681661 981980193 /nfs/dbraw/zinc/98/01/93/981980193.db2.gz LSQSJMPXIJLVBI-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC001350646530 982039113 /nfs/dbraw/zinc/03/91/13/982039113.db2.gz JYTWNADWJNTHIZ-NOZJJQNGSA-N 2 1 240.297 1.705 20 0 BDADMP OCc1c[nH+]ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001351950553 982413844 /nfs/dbraw/zinc/41/38/44/982413844.db2.gz PXIDVAWNEGGDQF-CHWSQXEVSA-N 2 1 247.342 1.035 20 0 BDADMP C[N@@H+]1CC=C(c2cc(C[NH3+])ccn2)CC1 ZINC001241309024 982448343 /nfs/dbraw/zinc/44/83/43/982448343.db2.gz YJJOGSBNRDGLLJ-UHFFFAOYSA-N 2 1 203.289 1.259 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@@H]2CCC=CO2)C1 ZINC001205802987 982555037 /nfs/dbraw/zinc/55/50/37/982555037.db2.gz DSKHQGXZCBURJH-AGIUHOORSA-N 2 1 224.348 1.738 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC001205802987 982555042 /nfs/dbraw/zinc/55/50/42/982555042.db2.gz DSKHQGXZCBURJH-AGIUHOORSA-N 2 1 224.348 1.738 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001205806625 982570319 /nfs/dbraw/zinc/57/03/19/982570319.db2.gz UYTXXUXTTPSFPS-KBHBFKLGSA-N 2 1 237.391 1.317 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])N(CCC23CC([NH3+])(C2)C3)C1 ZINC001205806625 982570328 /nfs/dbraw/zinc/57/03/28/982570328.db2.gz UYTXXUXTTPSFPS-KBHBFKLGSA-N 2 1 237.391 1.317 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001205832112 982688660 /nfs/dbraw/zinc/68/86/60/982688660.db2.gz ZMRLZEYZEIPNSF-WFASDCNBSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001205832112 982688672 /nfs/dbraw/zinc/68/86/72/982688672.db2.gz ZMRLZEYZEIPNSF-WFASDCNBSA-N 2 1 247.386 1.705 20 0 BDADMP Cc1cnc(C2=CCC[N@H+](C)C2)c(C[NH3+])c1 ZINC001241567365 982811294 /nfs/dbraw/zinc/81/12/94/982811294.db2.gz YIRDLWDWQKFTFA-UHFFFAOYSA-N 2 1 217.316 1.568 20 0 BDADMP C[N@H+]1CCC=C(c2ccc(C[NH3+])cc2)C1 ZINC001241568202 982813489 /nfs/dbraw/zinc/81/34/89/982813489.db2.gz DQYGWIJGIVVMPW-UHFFFAOYSA-N 2 1 202.301 1.864 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCOC1 ZINC001199256986 982904923 /nfs/dbraw/zinc/90/49/23/982904923.db2.gz DZMAEKNDMDOKGW-NSHDSACASA-N 2 1 235.331 1.274 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2)C[C@H](C)[N@@H+]1C ZINC001354019562 983118075 /nfs/dbraw/zinc/11/80/75/983118075.db2.gz QYCRLJRDQJRWDY-PHIMTYICSA-N 2 1 205.305 1.610 20 0 BDADMP Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)nc(N)[nH+]1 ZINC001354132220 983168066 /nfs/dbraw/zinc/16/80/66/983168066.db2.gz VRMCGAPWQMBMJN-GZMMTYOYSA-N 2 1 247.346 1.262 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252096888 983548454 /nfs/dbraw/zinc/54/84/54/983548454.db2.gz LZBCQFYZICNAIK-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252096888 983548457 /nfs/dbraw/zinc/54/84/57/983548457.db2.gz LZBCQFYZICNAIK-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252096890 983551951 /nfs/dbraw/zinc/55/19/51/983551951.db2.gz LZBCQFYZICNAIK-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252096890 983551953 /nfs/dbraw/zinc/55/19/53/983551953.db2.gz LZBCQFYZICNAIK-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001205946563 983645172 /nfs/dbraw/zinc/64/51/72/983645172.db2.gz NPIJWZDLZKXDOD-TZMCWYRMSA-N 2 1 245.326 1.062 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001205946563 983645181 /nfs/dbraw/zinc/64/51/81/983645181.db2.gz NPIJWZDLZKXDOD-TZMCWYRMSA-N 2 1 245.326 1.062 20 0 BDADMP CSC[C@H](O)C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001356622614 983646585 /nfs/dbraw/zinc/64/65/85/983646585.db2.gz URNRCYWZZISBDD-GFCCVEGCSA-N 2 1 248.436 1.278 20 0 BDADMP CCCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001252106774 983651533 /nfs/dbraw/zinc/65/15/33/983651533.db2.gz BDHTXRHBWHAVGO-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1O ZINC001205945729 983653708 /nfs/dbraw/zinc/65/37/08/983653708.db2.gz CXDMNVFMYAVWQK-TZMCWYRMSA-N 2 1 245.326 1.062 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1O ZINC001205945729 983653716 /nfs/dbraw/zinc/65/37/16/983653716.db2.gz CXDMNVFMYAVWQK-TZMCWYRMSA-N 2 1 245.326 1.062 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001252802736 983897435 /nfs/dbraw/zinc/89/74/35/983897435.db2.gz KUXNDSLVNTYUDD-FQUUOJAGSA-N 2 1 240.391 1.752 20 0 BDADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@H]([NH2+][C@H]3CCC[NH2+]C3)[C@@H]21 ZINC001574799806 984117382 /nfs/dbraw/zinc/11/73/82/984117382.db2.gz FQKULVDZOAJGIQ-SNIKSBKOSA-N 2 1 236.359 1.142 20 0 BDADMP C[C@]1(C[NH2+]C[C@]2(C)C[NH2+]CCO2)CCCS1 ZINC001576519936 984173179 /nfs/dbraw/zinc/17/31/79/984173179.db2.gz WJSYGZKOHCDMOB-NWDGAFQWSA-N 2 1 244.404 1.240 20 0 BDADMP C[C@H]1[C@@H](CO)CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC001576572264 984174198 /nfs/dbraw/zinc/17/41/98/984174198.db2.gz KGPTUYOUYKMVOC-GXTWGEPZSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1NCC1CC[NH+](C)CC1 ZINC001578241976 984209042 /nfs/dbraw/zinc/20/90/42/984209042.db2.gz VBXGIJUFEGBXMG-OLZOCXBDSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001578622161 984215304 /nfs/dbraw/zinc/21/53/04/984215304.db2.gz PMBLOBKIJBYWDS-AAEUAGOBSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC001578654317 984218525 /nfs/dbraw/zinc/21/85/25/984218525.db2.gz MMYRICLHUXSLIB-WDEREUQCSA-N 2 1 246.420 1.030 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC001578654317 984218535 /nfs/dbraw/zinc/21/85/35/984218535.db2.gz MMYRICLHUXSLIB-WDEREUQCSA-N 2 1 246.420 1.030 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001578638954 984220102 /nfs/dbraw/zinc/22/01/02/984220102.db2.gz ZXSGTFWHINOZSH-RHYQMDGZSA-N 2 1 224.348 1.142 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC001578654316 984221642 /nfs/dbraw/zinc/22/16/42/984221642.db2.gz MMYRICLHUXSLIB-QWRGUYRKSA-N 2 1 246.420 1.030 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1CCSC[C@H]1C(C)(C)C ZINC001578654316 984221649 /nfs/dbraw/zinc/22/16/49/984221649.db2.gz MMYRICLHUXSLIB-QWRGUYRKSA-N 2 1 246.420 1.030 20 0 BDADMP CO[C@@H](CC(C)C)C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578901260 984229980 /nfs/dbraw/zinc/22/99/80/984229980.db2.gz QNVGJOFIJOEINF-WUHRBBMRSA-N 2 1 226.364 1.197 20 0 BDADMP CO[C@@H](CC(C)C)C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578901260 984229989 /nfs/dbraw/zinc/22/99/89/984229989.db2.gz QNVGJOFIJOEINF-WUHRBBMRSA-N 2 1 226.364 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001205985434 984319003 /nfs/dbraw/zinc/31/90/03/984319003.db2.gz YEZHZVVEQBTESC-OCCSQVGLSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[NH2+]1 ZINC000718224007 984412340 /nfs/dbraw/zinc/41/23/40/984412340.db2.gz DIUKZJHPDOYRLD-QQKNPXLJSA-N 2 1 236.359 1.236 20 0 BDADMP COCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274981054 984430943 /nfs/dbraw/zinc/43/09/43/984430943.db2.gz XMUQTZJWUGFUCY-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP COCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001274981054 984430966 /nfs/dbraw/zinc/43/09/66/984430966.db2.gz XMUQTZJWUGFUCY-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP COCC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001274981054 984430974 /nfs/dbraw/zinc/43/09/74/984430974.db2.gz XMUQTZJWUGFUCY-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001256719820 984576435 /nfs/dbraw/zinc/57/64/35/984576435.db2.gz UATANOAYWFCISI-OCCSQVGLSA-N 2 1 233.359 1.554 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC001577687896 984638359 /nfs/dbraw/zinc/63/83/59/984638359.db2.gz UZAQQMQNWUCZBT-RYUDHWBXSA-N 3 1 227.396 1.304 20 0 BDADMP CC[N@H+](CCNCc1cccc(C[NH3+])c1)C1CC1 ZINC001577725839 984672308 /nfs/dbraw/zinc/67/23/08/984672308.db2.gz QZVGEYLZJZTPNZ-UHFFFAOYSA-N 2 1 247.386 1.719 20 0 BDADMP CC[N@@H+](CCNCc1cccc(C[NH3+])c1)C1CC1 ZINC001577725839 984672324 /nfs/dbraw/zinc/67/23/24/984672324.db2.gz QZVGEYLZJZTPNZ-UHFFFAOYSA-N 2 1 247.386 1.719 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001275853032 984701855 /nfs/dbraw/zinc/70/18/55/984701855.db2.gz JSRLBTANXYHMFO-YHWZYXNKSA-N 2 1 219.332 1.730 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001275853032 984701888 /nfs/dbraw/zinc/70/18/88/984701888.db2.gz JSRLBTANXYHMFO-YHWZYXNKSA-N 2 1 219.332 1.730 20 0 BDADMP CC[NH2+]C1CCN(CCc2c[nH+]cn2C)CC1 ZINC001577821191 984799307 /nfs/dbraw/zinc/79/93/07/984799307.db2.gz AVSPAHVQAASRFB-UHFFFAOYSA-N 2 1 236.363 1.037 20 0 BDADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001577908613 984820224 /nfs/dbraw/zinc/82/02/24/984820224.db2.gz NEYZWUNABKUBLC-WHOHXGKFSA-N 2 1 242.363 1.304 20 0 BDADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC001577939275 984821756 /nfs/dbraw/zinc/82/17/56/984821756.db2.gz BLRKLSLMDJOWQW-NSHDSACASA-N 2 1 244.379 1.635 20 0 BDADMP CCOC(=O)[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001577922265 984822632 /nfs/dbraw/zinc/82/26/32/984822632.db2.gz VVKTXWFFYJXENN-WCQGTBRESA-N 2 1 240.347 1.045 20 0 BDADMP Cc1nc[nH]c1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276206257 984828627 /nfs/dbraw/zinc/82/86/27/984828627.db2.gz IOFHLVJIQAQROY-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276206257 984828629 /nfs/dbraw/zinc/82/86/29/984828629.db2.gz IOFHLVJIQAQROY-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276206257 984828633 /nfs/dbraw/zinc/82/86/33/984828633.db2.gz IOFHLVJIQAQROY-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP CCOC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001578025397 984831889 /nfs/dbraw/zinc/83/18/89/984831889.db2.gz IDNGLWFVDYWZLR-NWDGAFQWSA-N 2 1 242.363 1.260 20 0 BDADMP CC(=O)OCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257213291 984853450 /nfs/dbraw/zinc/85/34/50/984853450.db2.gz JNXSQHHKWUCEFW-UHFFFAOYSA-N 2 1 228.336 1.012 20 0 BDADMP CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC001578263500 984903464 /nfs/dbraw/zinc/90/34/64/984903464.db2.gz JSMHPGHMSAOBGL-DOMZBBRYSA-N 2 1 248.370 1.624 20 0 BDADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578445668 985074739 /nfs/dbraw/zinc/07/47/39/985074739.db2.gz SCYAIONXHBTXQN-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@]1(C)CCCCO1)C1CC[NH2+]CC1 ZINC001578445163 985075010 /nfs/dbraw/zinc/07/50/10/985075010.db2.gz IELRJQLVWRJNSH-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@H]1O)CC1(C[NH3+])CCC1 ZINC001578451305 985082471 /nfs/dbraw/zinc/08/24/71/985082471.db2.gz GPMMKSHZSQPADT-NWDGAFQWSA-N 2 1 226.364 1.208 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CC(C)(C)OC1=O ZINC001578486378 985116665 /nfs/dbraw/zinc/11/66/65/985116665.db2.gz OMWLYXZRSZNBCG-HBNTYKKESA-N 2 1 240.347 1.140 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](NCC3(C[NH3+])CCC3)[C@@H]2C1 ZINC001578521565 985140022 /nfs/dbraw/zinc/14/00/22/985140022.db2.gz XCMIMKYHJFBELL-XQQFMLRXSA-N 2 1 237.391 1.045 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]CC3(C[NH3+])CCC3)[C@@H]2C1 ZINC001578521565 985140032 /nfs/dbraw/zinc/14/00/32/985140032.db2.gz XCMIMKYHJFBELL-XQQFMLRXSA-N 3 1 237.391 1.045 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC3(C[NH3+])CCC3)[C@@H]2C1 ZINC001578521565 985140037 /nfs/dbraw/zinc/14/00/37/985140037.db2.gz XCMIMKYHJFBELL-XQQFMLRXSA-N 3 1 237.391 1.045 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3CC[C@@]32CN)CC1 ZINC001578524423 985148440 /nfs/dbraw/zinc/14/84/40/985148440.db2.gz WFJWDJPPZJODGG-UONOGXRCSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC001578524423 985148447 /nfs/dbraw/zinc/14/84/47/985148447.db2.gz WFJWDJPPZJODGG-UONOGXRCSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC001578524423 985148459 /nfs/dbraw/zinc/14/84/59/985148459.db2.gz WFJWDJPPZJODGG-UONOGXRCSA-N 3 1 237.391 1.141 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H](C[NH3+])C1CCCCC1 ZINC001578530823 985166138 /nfs/dbraw/zinc/16/61/38/985166138.db2.gz SGOCKUDCRAZNRO-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP C[NH2+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)C1CC1 ZINC001578677145 985289076 /nfs/dbraw/zinc/28/90/76/985289076.db2.gz XEBWEQRIOIMSFT-CHWSQXEVSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](COC)c1ccc(F)cc1 ZINC001578692217 985298663 /nfs/dbraw/zinc/29/86/63/985298663.db2.gz XDLMSTHQHBBQMO-ZDUSSCGKSA-N 2 1 240.322 1.712 20 0 BDADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001578788234 985353101 /nfs/dbraw/zinc/35/31/01/985353101.db2.gz HWBVPSGKADOQCD-WRWGMCAJSA-N 2 1 240.347 1.058 20 0 BDADMP COC(=O)CC(C)(C)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578803247 985375611 /nfs/dbraw/zinc/37/56/11/985375611.db2.gz YIPJWVQFOBXACC-WDEREUQCSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000688003951 985469761 /nfs/dbraw/zinc/46/97/61/985469761.db2.gz AVEWWLGKHXSYJY-XYTAGDGMSA-N 2 1 224.348 1.236 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000688022581 985490246 /nfs/dbraw/zinc/49/02/46/985490246.db2.gz FIUQOVGXWBNFOW-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578926871 985525691 /nfs/dbraw/zinc/52/56/91/985525691.db2.gz PCUZEAIJQKQMGW-WCQYABFASA-N 2 1 224.348 1.369 20 0 BDADMP COC1(CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578927367 985530953 /nfs/dbraw/zinc/53/09/53/985530953.db2.gz WLGKMBLFPBHXOW-JSGCOSHPSA-N 2 1 238.375 1.759 20 0 BDADMP COC1(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CCC1 ZINC001578927373 985531403 /nfs/dbraw/zinc/53/14/03/985531403.db2.gz WMBRPUHZOMDELX-NEPJUHHUSA-N 2 1 224.348 1.097 20 0 BDADMP COC/C(C)=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578954480 985570756 /nfs/dbraw/zinc/57/07/56/985570756.db2.gz PKMOLOZUFHBMNK-VVBALGDRSA-N 2 1 224.348 1.120 20 0 BDADMP COC/C(C)=C/C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578954480 985570788 /nfs/dbraw/zinc/57/07/88/985570788.db2.gz PKMOLOZUFHBMNK-VVBALGDRSA-N 2 1 224.348 1.120 20 0 BDADMP COCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001578995671 985628922 /nfs/dbraw/zinc/62/89/22/985628922.db2.gz UCUTUMPUKXWDCY-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP COCCc1cc[nH+]c(NCC2(C[NH3+])CC2)c1 ZINC001579068215 985689797 /nfs/dbraw/zinc/68/97/97/985689797.db2.gz QBJIDETZMLDTKK-UHFFFAOYSA-N 2 1 235.331 1.421 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H](C[NH3+])C(C)C)C1 ZINC001579133777 985812001 /nfs/dbraw/zinc/81/20/01/985812001.db2.gz XVWMIHUAQOTHQK-UTUOFQBUSA-N 2 1 214.353 1.327 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(CC[NH+]3CCCC3)C2)C1 ZINC000795335580 985821483 /nfs/dbraw/zinc/82/14/83/985821483.db2.gz QJMKJQWYNKHWOI-AWEZNQCLSA-N 2 1 237.391 1.110 20 0 BDADMP COc1nc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1C ZINC001579323410 985843206 /nfs/dbraw/zinc/84/32/06/985843206.db2.gz FQVXQGALOKPNMU-LLVKDONJSA-N 2 1 235.331 1.179 20 0 BDADMP COc1nc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1C ZINC001579323410 985843218 /nfs/dbraw/zinc/84/32/18/985843218.db2.gz FQVXQGALOKPNMU-LLVKDONJSA-N 2 1 235.331 1.179 20 0 BDADMP CSCC[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001579374166 985865657 /nfs/dbraw/zinc/86/56/57/985865657.db2.gz IYJJIMOPAKWJPL-ZJUUUORDSA-N 2 1 200.351 1.224 20 0 BDADMP CSCC[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579374954 985866218 /nfs/dbraw/zinc/86/62/18/985866218.db2.gz ZVIXDOYDHIEZOT-RYUDHWBXSA-N 2 1 228.405 1.800 20 0 BDADMP CSCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001460600732 985867721 /nfs/dbraw/zinc/86/77/21/985867721.db2.gz BZCCPIHISFDQQA-MNOVXSKESA-N 2 1 214.378 1.233 20 0 BDADMP CSCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001460600732 985867728 /nfs/dbraw/zinc/86/77/28/985867728.db2.gz BZCCPIHISFDQQA-MNOVXSKESA-N 2 1 214.378 1.233 20 0 BDADMP CSCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001460600732 985867718 /nfs/dbraw/zinc/86/77/18/985867718.db2.gz BZCCPIHISFDQQA-MNOVXSKESA-N 2 1 214.378 1.233 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@]2(C)CCCCO2)C[C@H]1[NH3+] ZINC001579440371 985927180 /nfs/dbraw/zinc/92/71/80/985927180.db2.gz YULUCSZNQRVIRQ-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCCCO2)C[C@H]1[NH3+] ZINC001579440371 985927191 /nfs/dbraw/zinc/92/71/91/985927191.db2.gz YULUCSZNQRVIRQ-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1C[NH3+] ZINC001579440408 985929978 /nfs/dbraw/zinc/92/99/78/985929978.db2.gz AIHUUKHAFQVUIU-GFQSEFKGSA-N 2 1 248.374 1.050 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](CCO)c1ccco1 ZINC001579459696 985954509 /nfs/dbraw/zinc/95/45/09/985954509.db2.gz QQMPFXUHQDYCOP-GRYCIOLGSA-N 2 1 238.331 1.148 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001579467428 985968548 /nfs/dbraw/zinc/96/85/48/985968548.db2.gz DYEULHKLSXIWNP-FHUSYTEZSA-N 2 1 236.359 1.142 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC001579473520 985981340 /nfs/dbraw/zinc/98/13/40/985981340.db2.gz CFVHTPSWGSSCAZ-UPJWGTAASA-N 2 1 222.332 1.220 20 0 BDADMP C[C@H](CO)[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC001579476863 985991394 /nfs/dbraw/zinc/99/13/94/985991394.db2.gz KUFUJTFHXQSUFY-MNOVXSKESA-N 2 1 216.369 1.453 20 0 BDADMP C[C@H](CO)[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC001579476863 985991417 /nfs/dbraw/zinc/99/14/17/985991417.db2.gz KUFUJTFHXQSUFY-MNOVXSKESA-N 2 1 216.369 1.453 20 0 BDADMP C[C@H]1[C@@H](O)CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001579506158 986048383 /nfs/dbraw/zinc/04/83/83/986048383.db2.gz CVYBCHVAHNSZCQ-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP Cc1cc(C)cc(CC[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC001579579629 986091055 /nfs/dbraw/zinc/09/10/55/986091055.db2.gz KFFDZQPXAUMPMC-CQSZACIVSA-N 2 1 236.359 1.097 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)nn1 ZINC001579598288 986111157 /nfs/dbraw/zinc/11/11/57/986111157.db2.gz NKEQGMWUPOOXBF-OCCSQVGLSA-N 2 1 246.358 1.135 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)nn1 ZINC001579598288 986111172 /nfs/dbraw/zinc/11/11/72/986111172.db2.gz NKEQGMWUPOOXBF-OCCSQVGLSA-N 2 1 246.358 1.135 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C)n1 ZINC001579598444 986119631 /nfs/dbraw/zinc/11/96/31/986119631.db2.gz WHTHMINTZDUUSW-OKILXGFUSA-N 2 1 231.343 1.350 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C)n1 ZINC001579598444 986119642 /nfs/dbraw/zinc/11/96/42/986119642.db2.gz WHTHMINTZDUUSW-OKILXGFUSA-N 2 1 231.343 1.350 20 0 BDADMP C[C@@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001461798290 986154244 /nfs/dbraw/zinc/15/42/44/986154244.db2.gz XASUOSBZGPVXPJ-NEPJUHHUSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[NH2+]C2)c(C)c1 ZINC001579696735 986191419 /nfs/dbraw/zinc/19/14/19/986191419.db2.gz CFUNEVDEAOEGBP-AWEZNQCLSA-N 2 1 234.343 1.117 20 0 BDADMP Cc1conc1C[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579830008 986256555 /nfs/dbraw/zinc/25/65/55/986256555.db2.gz MCIHNXRACKAPLB-JSGCOSHPSA-N 2 1 249.358 1.934 20 0 BDADMP Cc1conc1C[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579830008 986256566 /nfs/dbraw/zinc/25/65/66/986256566.db2.gz MCIHNXRACKAPLB-JSGCOSHPSA-N 2 1 249.358 1.934 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC001462002671 986260260 /nfs/dbraw/zinc/26/02/60/986260260.db2.gz PFTBOIVMLCPZHY-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1nc(C(C)(C)[NH2+]CCCCCC[NH3+])no1 ZINC001579846041 986268698 /nfs/dbraw/zinc/26/86/98/986268698.db2.gz RPLRRTWEYPWNEK-UHFFFAOYSA-N 2 1 240.351 1.722 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CC3CCC3)C[C@@H]2C1 ZINC001202791574 986310336 /nfs/dbraw/zinc/31/03/36/986310336.db2.gz ACMBYFYFSUGTNP-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001202791574 986310340 /nfs/dbraw/zinc/31/03/40/986310340.db2.gz ACMBYFYFSUGTNP-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001202791574 986310343 /nfs/dbraw/zinc/31/03/43/986310343.db2.gz ACMBYFYFSUGTNP-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP Cc1nnc2n1CC[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]2C ZINC001579914098 986330784 /nfs/dbraw/zinc/33/07/84/986330784.db2.gz HGUJEXRFQSLCNS-ADEWGFFLSA-N 2 1 249.362 1.091 20 0 BDADMP Cc1nnc2n1CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]2C ZINC001579914098 986330797 /nfs/dbraw/zinc/33/07/97/986330797.db2.gz HGUJEXRFQSLCNS-ADEWGFFLSA-N 2 1 249.362 1.091 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001462316961 986351118 /nfs/dbraw/zinc/35/11/18/986351118.db2.gz JFYBZXSQFQHTEL-FVCCEPFGSA-N 2 1 226.364 1.340 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001462316961 986351126 /nfs/dbraw/zinc/35/11/26/986351126.db2.gz JFYBZXSQFQHTEL-FVCCEPFGSA-N 2 1 226.364 1.340 20 0 BDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[NH2+]1 ZINC000394280332 986353826 /nfs/dbraw/zinc/35/38/26/986353826.db2.gz DVQKGRDZDUFVJN-MCIONIFRSA-N 2 1 237.391 1.297 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC001579970178 986375523 /nfs/dbraw/zinc/37/55/23/986375523.db2.gz QVTRGHHVESFCFT-SGMGOOAPSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001579998814 986398583 /nfs/dbraw/zinc/39/85/83/986398583.db2.gz WWICWGYAIJDDJC-KNVOCYPGSA-N 2 1 248.252 1.018 20 0 BDADMP C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001462671041 986495359 /nfs/dbraw/zinc/49/53/59/986495359.db2.gz QHUVCKWZPVOITE-ZMJPVWNMSA-N 2 1 249.358 1.535 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001462663613 986498730 /nfs/dbraw/zinc/49/87/30/986498730.db2.gz FJLVMZACWACTNW-QJPTWQEYSA-N 2 1 240.416 1.812 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3nccn32)CCC1 ZINC001580152691 986621187 /nfs/dbraw/zinc/62/11/87/986621187.db2.gz OJCMIUNMUPMWEI-UHFFFAOYSA-N 2 1 230.315 1.305 20 0 BDADMP COC[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254517548 986652950 /nfs/dbraw/zinc/65/29/50/986652950.db2.gz VFQREGCBRDOVPO-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254517548 986652919 /nfs/dbraw/zinc/65/29/19/986652919.db2.gz VFQREGCBRDOVPO-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254517548 986652935 /nfs/dbraw/zinc/65/29/35/986652935.db2.gz VFQREGCBRDOVPO-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2C[C@H](F)C[C@@H](CO)C2)CC1 ZINC001254516376 986653490 /nfs/dbraw/zinc/65/34/90/986653490.db2.gz MAEMPTNAKVURFF-UPJWGTAASA-N 2 1 244.354 1.123 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H](F)C[C@@H](CO)C2)CC1 ZINC001254516376 986653499 /nfs/dbraw/zinc/65/34/99/986653499.db2.gz MAEMPTNAKVURFF-UPJWGTAASA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H](F)C[C@@H](CO)C2)CC1 ZINC001254516376 986653505 /nfs/dbraw/zinc/65/35/05/986653505.db2.gz MAEMPTNAKVURFF-UPJWGTAASA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H](F)C[C@@H](CO)C2)CC1 ZINC001254516376 986653512 /nfs/dbraw/zinc/65/35/12/986653512.db2.gz MAEMPTNAKVURFF-UPJWGTAASA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+](C)C1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254515989 986655964 /nfs/dbraw/zinc/65/59/64/986655964.db2.gz IHRDKAYNNPNJFK-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2C[C@H](CO)C[C@H](F)C2)CC1 ZINC001254516373 986656303 /nfs/dbraw/zinc/65/63/03/986656303.db2.gz MAEMPTNAKVURFF-AGIUHOORSA-N 2 1 244.354 1.123 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H](CO)C[C@H](F)C2)CC1 ZINC001254516373 986656309 /nfs/dbraw/zinc/65/63/09/986656309.db2.gz MAEMPTNAKVURFF-AGIUHOORSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H](CO)C[C@H](F)C2)CC1 ZINC001254516373 986656318 /nfs/dbraw/zinc/65/63/18/986656318.db2.gz MAEMPTNAKVURFF-AGIUHOORSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H](CO)C[C@H](F)C2)CC1 ZINC001254516373 986656321 /nfs/dbraw/zinc/65/63/21/986656321.db2.gz MAEMPTNAKVURFF-AGIUHOORSA-N 2 1 244.354 1.123 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001254525470 986661070 /nfs/dbraw/zinc/66/10/70/986661070.db2.gz JIRAMXCESJVBHF-YNEHKIRRSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001254525470 986661098 /nfs/dbraw/zinc/66/10/98/986661098.db2.gz JIRAMXCESJVBHF-YNEHKIRRSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001254525470 986661112 /nfs/dbraw/zinc/66/11/12/986661112.db2.gz JIRAMXCESJVBHF-YNEHKIRRSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC[C@H](F)C2)CC1 ZINC001254515860 986662091 /nfs/dbraw/zinc/66/20/91/986662091.db2.gz FJRFOTXMKSEJHV-QWRGUYRKSA-N 2 1 200.301 1.515 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H](F)C2)CC1 ZINC001254515860 986662097 /nfs/dbraw/zinc/66/20/97/986662097.db2.gz FJRFOTXMKSEJHV-QWRGUYRKSA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H](F)C2)CC1 ZINC001254515860 986662111 /nfs/dbraw/zinc/66/21/11/986662111.db2.gz FJRFOTXMKSEJHV-QWRGUYRKSA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H](F)C2)CC1 ZINC001254515860 986662120 /nfs/dbraw/zinc/66/21/20/986662120.db2.gz FJRFOTXMKSEJHV-QWRGUYRKSA-N 2 1 200.301 1.515 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)C1CC1 ZINC001580229912 986679806 /nfs/dbraw/zinc/67/98/06/986679806.db2.gz WQMORIMBQBEPCT-HUUCEWRRSA-N 2 1 248.370 1.307 20 0 BDADMP [NH3+]CC1(C[N@@H+]2CCOC3(CCC3)C2)CCC1 ZINC001580244060 986693798 /nfs/dbraw/zinc/69/37/98/986693798.db2.gz OFOPEMDTDMJUEB-UHFFFAOYSA-N 2 1 224.348 1.370 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCOC3(CCC3)C2)CCC1 ZINC001580244060 986693808 /nfs/dbraw/zinc/69/38/08/986693808.db2.gz OFOPEMDTDMJUEB-UHFFFAOYSA-N 2 1 224.348 1.370 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1cc[nH]c(=O)c1 ZINC001580253112 986702679 /nfs/dbraw/zinc/70/26/79/986702679.db2.gz HRPDUJBWGXXEFF-AAEUAGOBSA-N 2 1 233.315 1.100 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1cc[nH]c(=O)c1 ZINC001580253112 986702694 /nfs/dbraw/zinc/70/26/94/986702694.db2.gz HRPDUJBWGXXEFF-AAEUAGOBSA-N 2 1 233.315 1.100 20 0 BDADMP [NH3+]C[C@]12C[N@@H+](Cc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580254494 986709755 /nfs/dbraw/zinc/70/97/55/986709755.db2.gz CZCCNACGBKZQAM-CHWSQXEVSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCn2nccc2C1 ZINC001580293020 986735594 /nfs/dbraw/zinc/73/55/94/986735594.db2.gz KELBHGCWPQZRLM-UHFFFAOYSA-N 2 1 236.363 1.608 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC000381995679 986743214 /nfs/dbraw/zinc/74/32/14/986743214.db2.gz IJPMVISKIZBZSC-ZDUSSCGKSA-N 2 1 219.332 1.703 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC001580423020 986841417 /nfs/dbraw/zinc/84/14/17/986841417.db2.gz MCTOVVMRLLXQTQ-AOOOYVTPSA-N 2 1 216.288 1.142 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC001580431367 986851055 /nfs/dbraw/zinc/85/10/55/986851055.db2.gz IJCFJGKTBYPMJQ-JOCQHMNTSA-N 2 1 234.347 1.263 20 0 BDADMP C[NH2+]CCC[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206584306 986944789 /nfs/dbraw/zinc/94/47/89/986944789.db2.gz YDBCBIFALUFVRO-ZDUSSCGKSA-N 3 1 227.396 1.448 20 0 BDADMP C[NH2+]CCC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206584306 986944802 /nfs/dbraw/zinc/94/48/02/986944802.db2.gz YDBCBIFALUFVRO-ZDUSSCGKSA-N 3 1 227.396 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000397403405 986996328 /nfs/dbraw/zinc/99/63/28/986996328.db2.gz UZAWWJCEMGGQOM-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C[NH2+]1 ZINC001245974479 987254658 /nfs/dbraw/zinc/25/46/58/987254658.db2.gz MWEMNCFNMROZLD-DCAQKATOSA-N 2 1 214.353 1.124 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001245999631 987275735 /nfs/dbraw/zinc/27/57/35/987275735.db2.gz BGEMCXJPSULUQZ-NWDGAFQWSA-N 2 1 226.295 1.186 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1O ZINC000691358420 987283039 /nfs/dbraw/zinc/28/30/39/987283039.db2.gz HLWURWGAZLVAFC-QWHCGFSZSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000691358417 987286690 /nfs/dbraw/zinc/28/66/90/987286690.db2.gz HLWURWGAZLVAFC-OLZOCXBDSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@H](O)c1ccccc1 ZINC001246001829 987288405 /nfs/dbraw/zinc/28/84/05/987288405.db2.gz ORTBZSQQSRXCPX-RYUDHWBXSA-N 2 1 208.305 1.047 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246018624 987308585 /nfs/dbraw/zinc/30/85/85/987308585.db2.gz FZZPMTQBFCKVPS-RYUDHWBXSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246019903 987309601 /nfs/dbraw/zinc/30/96/01/987309601.db2.gz IYADGHULFSODLI-JHJVBQTASA-N 2 1 228.380 1.310 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246023146 987313595 /nfs/dbraw/zinc/31/35/95/987313595.db2.gz OIDYTLLMWZNTBR-SDDRHHMPSA-N 2 1 214.353 1.064 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000693737733 987315132 /nfs/dbraw/zinc/31/51/32/987315132.db2.gz GOZGTVVTKLPBOP-BXUZGUMPSA-N 2 1 248.374 1.734 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000693737733 987315140 /nfs/dbraw/zinc/31/51/40/987315140.db2.gz GOZGTVVTKLPBOP-BXUZGUMPSA-N 2 1 248.374 1.734 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246031907 987328439 /nfs/dbraw/zinc/32/84/39/987328439.db2.gz RJBKLDCTWJBMQW-AVGNSLFASA-N 2 1 228.380 1.454 20 0 BDADMP C[C@](O)(C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001246044317 987342581 /nfs/dbraw/zinc/34/25/81/987342581.db2.gz GQYKDSNDGAHQTK-SOUVJXGZSA-N 2 1 246.354 1.317 20 0 BDADMP C[C@](O)(C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001246044317 987342585 /nfs/dbraw/zinc/34/25/85/987342585.db2.gz GQYKDSNDGAHQTK-SOUVJXGZSA-N 2 1 246.354 1.317 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2(C)CCOCC2)C[NH2+]1 ZINC001246080090 987373241 /nfs/dbraw/zinc/37/32/41/987373241.db2.gz DRHNUXINOKGUHE-MNOVXSKESA-N 2 1 212.337 1.286 20 0 BDADMP F[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246088984 987391062 /nfs/dbraw/zinc/39/10/62/987391062.db2.gz NQNACUWYXVFRRV-OUAUKWLOSA-N 2 1 200.301 1.609 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090125 987392772 /nfs/dbraw/zinc/39/27/72/987392772.db2.gz JBSPLAGOSLTEEV-GHMZBOCLSA-N 2 1 228.336 1.060 20 0 BDADMP C[C@@]1(O)CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246089648 987393630 /nfs/dbraw/zinc/39/36/30/987393630.db2.gz AJPDORMTYCKAGM-SDDRHHMPSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](F)CC2)C[NH2+]1 ZINC001246089619 987394162 /nfs/dbraw/zinc/39/41/62/987394162.db2.gz QWRJDCKIRPCZBS-WYUUTHIRSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](F)CC2)C[NH2+]1 ZINC001246089618 987395177 /nfs/dbraw/zinc/39/51/77/987395177.db2.gz QWRJDCKIRPCZBS-WISYIIOYSA-N 2 1 214.328 1.997 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090127 987395432 /nfs/dbraw/zinc/39/54/32/987395432.db2.gz JBSPLAGOSLTEEV-QWRGUYRKSA-N 2 1 228.336 1.060 20 0 BDADMP C1[NH2+]CC12CCC([NH2+][C@@H]1CCCCNC1)CC2 ZINC001246090938 987398264 /nfs/dbraw/zinc/39/82/64/987398264.db2.gz NIHQEYGBZFOEIN-CYBMUJFWSA-N 2 1 237.391 1.250 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2F)C[NH2+]1 ZINC001246090969 987398602 /nfs/dbraw/zinc/39/86/02/987398602.db2.gz CHFVDHNADLMSLW-NNYUYHANSA-N 2 1 214.328 1.855 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246092982 987402058 /nfs/dbraw/zinc/40/20/58/987402058.db2.gz UGXMWEUSKLUWGT-MCIONIFRSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246098655 987414547 /nfs/dbraw/zinc/41/45/47/987414547.db2.gz UAWRAZARPZEOHE-LOWDOPEQSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCC[N@@H+](C)CC1 ZINC001246101817 987423163 /nfs/dbraw/zinc/42/31/63/987423163.db2.gz MMWGDZNCCDWVHN-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246101793 987425398 /nfs/dbraw/zinc/42/53/98/987425398.db2.gz MGGPQGNRTYYROY-YRGRVCCFSA-N 2 1 233.359 1.600 20 0 BDADMP CSCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246102529 987428393 /nfs/dbraw/zinc/42/83/93/987428393.db2.gz QAFAKHHFSJZGMX-GMTAPVOTSA-N 2 1 216.394 1.716 20 0 BDADMP Cc1cc(C)c(C[NH2+]C2CC[NH2+]CC2)c(=O)[nH]1 ZINC001246102862 987428913 /nfs/dbraw/zinc/42/89/13/987428913.db2.gz GCRVSZWVOSFJRI-UHFFFAOYSA-N 2 1 235.331 1.246 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCN(C)CC1 ZINC001246106118 987433798 /nfs/dbraw/zinc/43/37/98/987433798.db2.gz CTOAIVRYTHBFHB-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246106327 987435265 /nfs/dbraw/zinc/43/52/65/987435265.db2.gz XGSWJIBLBCQUHB-IGQOVBAYSA-N 3 1 239.407 1.352 20 0 BDADMP C[NH2+]CCC[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246112081 987445338 /nfs/dbraw/zinc/44/53/38/987445338.db2.gz KNVDLWCELVQCFN-RYUDHWBXSA-N 3 1 227.396 1.352 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246111613 987445518 /nfs/dbraw/zinc/44/55/18/987445518.db2.gz KSYQXIARTAISSM-AAVRWANBSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC001246113355 987449724 /nfs/dbraw/zinc/44/97/24/987449724.db2.gz SWFWNAUWNAXDKC-CRWXNKLISA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246114461 987454411 /nfs/dbraw/zinc/45/44/11/987454411.db2.gz WQOOWWMCIZZXSF-FDYHWXHSSA-N 3 1 225.380 1.105 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130850 987476944 /nfs/dbraw/zinc/47/69/44/987476944.db2.gz WQHNDBWZYRFFFG-AVGNSLFASA-N 2 1 228.380 1.922 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246129604 987478406 /nfs/dbraw/zinc/47/84/06/987478406.db2.gz GFHAUDMMXKBOFW-UTUOFQBUSA-N 2 1 224.348 1.286 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]12CCOC2 ZINC001473560377 987482489 /nfs/dbraw/zinc/48/24/89/987482489.db2.gz WQKVDXIXTFTYKD-CYBMUJFWSA-N 2 1 235.331 1.446 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]12CCOC2 ZINC001473560377 987482493 /nfs/dbraw/zinc/48/24/93/987482493.db2.gz WQKVDXIXTFTYKD-CYBMUJFWSA-N 2 1 235.331 1.446 20 0 BDADMP C1CC12C[NH2+]C[C@H]2NC1CCC2(CC[NH2+]C2)CC1 ZINC001246134174 987488905 /nfs/dbraw/zinc/48/89/05/987488905.db2.gz PPARKBVEWHLTMS-ROKHWSDSSA-N 2 1 249.402 1.250 20 0 BDADMP C1CC12C[NH2+]C[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC001246136695 987492614 /nfs/dbraw/zinc/49/26/14/987492614.db2.gz XOUXNJADAFUMJR-ZJUUUORDSA-N 2 1 212.362 1.224 20 0 BDADMP CCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135934 987494577 /nfs/dbraw/zinc/49/45/77/987494577.db2.gz SSRXLSSHLIYNLR-REWJHTLYSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246136008 987494612 /nfs/dbraw/zinc/49/46/12/987494612.db2.gz UINUXSDOGMBYIP-AAVRWANBSA-N 2 1 240.391 1.778 20 0 BDADMP CCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246150006 987506305 /nfs/dbraw/zinc/50/63/05/987506305.db2.gz FAJQJFKQJOTUKL-QWRGUYRKSA-N 2 1 230.352 1.435 20 0 BDADMP CC[NH+](CC)CCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246162358 987511132 /nfs/dbraw/zinc/51/11/32/987511132.db2.gz PBYAIOSJCHAUFY-UONOGXRCSA-N 3 1 241.423 1.839 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CC[NH2+]1 ZINC001246153214 987513300 /nfs/dbraw/zinc/51/33/00/987513300.db2.gz MLMOBQUBORMILM-BPLDGKMQSA-N 2 1 248.370 1.840 20 0 BDADMP C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC001246186231 987564640 /nfs/dbraw/zinc/56/46/40/987564640.db2.gz GPUISYGIJRZHJR-MCIONIFRSA-N 2 1 237.391 1.250 20 0 BDADMP CC1(C)CC([NH3+])CC(C)(C)[NH+]1C1CC[NH2+]CC1 ZINC001246188985 987572420 /nfs/dbraw/zinc/57/24/20/987572420.db2.gz ZAOWDWHOOYBRFT-UHFFFAOYSA-N 3 1 239.407 1.719 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246201022 987596285 /nfs/dbraw/zinc/59/62/85/987596285.db2.gz UDKUPUFIUITXLB-UONOGXRCSA-N 3 1 241.423 1.696 20 0 BDADMP C[C@H]1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246206337 987601889 /nfs/dbraw/zinc/60/18/89/987601889.db2.gz ZOJJTMRIYMXDII-NNYUYHANSA-N 3 1 225.380 1.375 20 0 BDADMP CC1(C[NH2+][C@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246209181 987606458 /nfs/dbraw/zinc/60/64/58/987606458.db2.gz FUZYXCUGZPDLCZ-LBPRGKRZSA-N 2 1 225.380 1.108 20 0 BDADMP C([NH2+][C@H]1CCCCNC1)[C@H]1CCC[NH2+]CC1 ZINC001246225281 987622710 /nfs/dbraw/zinc/62/27/10/987622710.db2.gz OTWCAGVVBCLXMQ-STQMWFEESA-N 2 1 225.380 1.108 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]C1)C1CCC2(COC2)CC1 ZINC001246224312 987623008 /nfs/dbraw/zinc/62/30/08/987623008.db2.gz WATQSUXRLBGQCL-CYBMUJFWSA-N 2 1 238.375 1.535 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246226735 987623825 /nfs/dbraw/zinc/62/38/25/987623825.db2.gz BODOQMNJNKIHMC-AGIUHOORSA-N 3 1 225.380 1.106 20 0 BDADMP CCC1(N[C@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]C1 ZINC001246236758 987634857 /nfs/dbraw/zinc/63/48/57/987634857.db2.gz QVZDSDIZQTTXRF-LBPRGKRZSA-N 2 1 237.391 1.250 20 0 BDADMP CCC1(N[C@@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]C1 ZINC001246236757 987635200 /nfs/dbraw/zinc/63/52/00/987635200.db2.gz QVZDSDIZQTTXRF-GFCCVEGCSA-N 2 1 237.391 1.250 20 0 BDADMP c1cnc2c(c1)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246238509 987638912 /nfs/dbraw/zinc/63/89/12/987638912.db2.gz WARAGGCCLFPPSX-LBPRGKRZSA-N 2 1 217.316 1.411 20 0 BDADMP CC[NH2+]CC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246274378 987669513 /nfs/dbraw/zinc/66/95/13/987669513.db2.gz WQIZEKYXNMBETL-UHFFFAOYSA-N 3 1 225.380 1.108 20 0 BDADMP CCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246297007 987690505 /nfs/dbraw/zinc/69/05/05/987690505.db2.gz DDRGUOHJDVJFCW-SRVKXCTJSA-N 2 1 214.353 1.125 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246299890 987695016 /nfs/dbraw/zinc/69/50/16/987695016.db2.gz NYUMIRFWWJJTCF-XUXIUFHCSA-N 2 1 242.407 1.617 20 0 BDADMP CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC001246303521 987700459 /nfs/dbraw/zinc/70/04/59/987700459.db2.gz GUNROJPVFKLQKU-SRVKXCTJSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC(C)(C)C1 ZINC001246304071 987700548 /nfs/dbraw/zinc/70/05/48/987700548.db2.gz GSBYPXQEGNUHOA-VOAKCMCISA-N 2 1 240.391 1.371 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH3+])CC[NH2+]1 ZINC001246303346 987702178 /nfs/dbraw/zinc/70/21/78/987702178.db2.gz HNPSPSMMJSMMAP-JHJVBQTASA-N 3 1 227.396 1.624 20 0 BDADMP CCOC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246316874 987721204 /nfs/dbraw/zinc/72/12/04/987721204.db2.gz OKHZQKGUODUFFZ-WDEREUQCSA-N 2 1 242.363 1.306 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2Oc3ccccc3O2)CC[NH2+]1 ZINC001246328142 987733977 /nfs/dbraw/zinc/73/39/77/987733977.db2.gz XEGPYQKDQSMDLX-QWRGUYRKSA-N 2 1 248.326 1.514 20 0 BDADMP C1C[C@H]2CC([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C[C@@H]1[NH2+]2 ZINC001246331735 987738383 /nfs/dbraw/zinc/73/83/83/987738383.db2.gz JFDBKKLTHOMIER-SMSJVIDGSA-N 3 1 249.402 1.532 20 0 BDADMP COC1CC(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC001474504214 987739870 /nfs/dbraw/zinc/73/98/70/987739870.db2.gz DFDYTPOVMPCGTH-RYSNWHEDSA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC001474504214 987739874 /nfs/dbraw/zinc/73/98/74/987739874.db2.gz DFDYTPOVMPCGTH-RYSNWHEDSA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC001474504214 987739882 /nfs/dbraw/zinc/73/98/82/987739882.db2.gz DFDYTPOVMPCGTH-RYSNWHEDSA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC001474504214 987739891 /nfs/dbraw/zinc/73/98/91/987739891.db2.gz DFDYTPOVMPCGTH-RYSNWHEDSA-N 2 1 240.391 1.683 20 0 BDADMP FC1(F)CC2(CC([NH2+][C@H]3CCC[NH2+]C3)C2)C1 ZINC001246336200 987745027 /nfs/dbraw/zinc/74/50/27/987745027.db2.gz TZNCYPHOEJCWTF-VIFPVBQESA-N 2 1 230.302 1.906 20 0 BDADMP CC(C)[C@@H](N)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246335609 987746372 /nfs/dbraw/zinc/74/63/72/987746372.db2.gz ZXTLRKBYARBBDH-STQMWFEESA-N 2 1 239.407 1.482 20 0 BDADMP [NH3+][C@@]12CC[C@@]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)(C1)CCC2 ZINC001246342041 987753074 /nfs/dbraw/zinc/75/30/74/987753074.db2.gz QSIYZYUZBUMDTG-FIBILERRSA-N 3 1 249.402 1.663 20 0 BDADMP C[C@H]1CC[C@@H](NCCCc2cccc(N)c2)C[NH2+]1 ZINC001246352581 987759043 /nfs/dbraw/zinc/75/90/43/987759043.db2.gz SFQAIVUYMMKUGZ-SWLSCSKDSA-N 2 1 247.386 1.932 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCc2cccc(N)c2)C[NH2+]1 ZINC001246352581 987759049 /nfs/dbraw/zinc/75/90/49/987759049.db2.gz SFQAIVUYMMKUGZ-SWLSCSKDSA-N 2 1 247.386 1.932 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246362400 987766702 /nfs/dbraw/zinc/76/67/02/987766702.db2.gz OXZCZHLZYHMZTH-AVGNSLFASA-N 2 1 225.380 1.199 20 0 BDADMP c1nc2c(s1)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246361065 987767601 /nfs/dbraw/zinc/76/76/01/987767601.db2.gz YSCRLXMUPPFSQN-NXEZZACHSA-N 2 1 237.372 1.342 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246360187 987768951 /nfs/dbraw/zinc/76/89/51/987768951.db2.gz GBYXSSHOLJBODO-ZDUSSCGKSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[C@H](NCc2[nH+]cn3ccccc23)C[NH2+]1 ZINC001246393676 987780714 /nfs/dbraw/zinc/78/07/14/987780714.db2.gz HDCDWMUTOIKYHW-RYUDHWBXSA-N 2 1 244.342 1.564 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C)C1 ZINC001246402305 987782281 /nfs/dbraw/zinc/78/22/81/987782281.db2.gz VTHDQPNPPTUVDY-AXFHLTTASA-N 2 1 228.336 1.045 20 0 BDADMP CCC(CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246402243 987783330 /nfs/dbraw/zinc/78/33/30/987783330.db2.gz TXKHITFDDHNYCE-JTQLQIEISA-N 2 1 216.325 1.045 20 0 BDADMP C(C1CC1)C1([NH2+][C@@H]2CCC[NH2+]C2)CCOCC1 ZINC001246412128 987791649 /nfs/dbraw/zinc/79/16/49/987791649.db2.gz STGMSSMJEGGHAD-CYBMUJFWSA-N 2 1 238.375 1.677 20 0 BDADMP CCC1([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246423128 987794062 /nfs/dbraw/zinc/79/40/62/987794062.db2.gz IIWAUISTZFFWLH-NWDGAFQWSA-N 3 1 225.380 1.249 20 0 BDADMP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246442299 987797555 /nfs/dbraw/zinc/79/75/55/987797555.db2.gz CUJMGJUJKBNGNN-RQJHMYQMSA-N 2 1 208.227 1.279 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)C[NH2+]1 ZINC001246450366 987805328 /nfs/dbraw/zinc/80/53/28/987805328.db2.gz WOGOZYKVUOIXMU-WFASDCNBSA-N 2 1 248.370 1.452 20 0 BDADMP C[C@@H]1C[C@@H](NC2C[NH+](C(C)(C)C)C2)CC[NH2+]1 ZINC001246449447 987805430 /nfs/dbraw/zinc/80/54/30/987805430.db2.gz WNRIBLJVTUQHPH-MNOVXSKESA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453832 987809499 /nfs/dbraw/zinc/80/94/99/987809499.db2.gz PYVRYOSAMDOOMH-NEPJUHHUSA-N 3 1 213.369 1.093 20 0 BDADMP CC(C)NCC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246455549 987814441 /nfs/dbraw/zinc/81/44/41/987814441.db2.gz XOWHAMHGNHADCE-KGLIPLIRSA-N 2 1 239.407 1.496 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246478886 987836611 /nfs/dbraw/zinc/83/66/11/987836611.db2.gz PLERDHRVALCBGQ-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2)cc1 ZINC001246486216 987844393 /nfs/dbraw/zinc/84/43/93/987844393.db2.gz DQEGZDGFXMEVRV-DZGCQCFKSA-N 2 1 247.386 1.077 20 0 BDADMP CCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246489506 987845221 /nfs/dbraw/zinc/84/52/21/987845221.db2.gz NPYAGWZYVIPGGU-QWHCGFSZSA-N 2 1 227.396 1.496 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC001246504481 987859887 /nfs/dbraw/zinc/85/98/87/987859887.db2.gz AASGDOPRSUKPQQ-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C[C@H]2C)CC[NH2+]1 ZINC001246504481 987859889 /nfs/dbraw/zinc/85/98/89/987859889.db2.gz AASGDOPRSUKPQQ-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC001246504482 987860354 /nfs/dbraw/zinc/86/03/54/987860354.db2.gz AASGDOPRSUKPQQ-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C[C@H]2C)CC[NH2+]1 ZINC001246504482 987860359 /nfs/dbraw/zinc/86/03/59/987860359.db2.gz AASGDOPRSUKPQQ-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP CC(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(N)n1 ZINC001246512510 987863628 /nfs/dbraw/zinc/86/36/28/987863628.db2.gz FRYZIGAOKXWCIX-CQSZACIVSA-N 2 1 248.374 1.703 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]1 ZINC001246517704 987865819 /nfs/dbraw/zinc/86/58/19/987865819.db2.gz AVZVXHHOFVFGKI-KKOKHZNYSA-N 2 1 212.337 1.236 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246526129 987878306 /nfs/dbraw/zinc/87/83/06/987878306.db2.gz MEXMFPNYMREQLD-UTUOFQBUSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001246535717 987894233 /nfs/dbraw/zinc/89/42/33/987894233.db2.gz PFSCSTMIQVDFDK-BREBYQMCSA-N 2 1 222.332 1.167 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001246535717 987894238 /nfs/dbraw/zinc/89/42/38/987894238.db2.gz PFSCSTMIQVDFDK-BREBYQMCSA-N 2 1 222.332 1.167 20 0 BDADMP C[N@@H+](C1CCCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246534818 987894252 /nfs/dbraw/zinc/89/42/52/987894252.db2.gz ZAYRJZOBJMFABG-ZDUSSCGKSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1CCC[N@@H+](C)CC1 ZINC001246537794 987898025 /nfs/dbraw/zinc/89/80/25/987898025.db2.gz LFSXLHLKFONYIC-AVGNSLFASA-N 2 1 225.380 1.282 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CO1 ZINC001246539720 987904811 /nfs/dbraw/zinc/90/48/11/987904811.db2.gz IGGGQYQFZCQIIV-QWRGUYRKSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540924 987905795 /nfs/dbraw/zinc/90/57/95/987905795.db2.gz KQSHKLKVCKRRIE-OUCADQQQSA-N 2 1 233.359 1.539 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246543071 987910033 /nfs/dbraw/zinc/91/00/33/987910033.db2.gz SHACYYPRQUSZIO-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544879 987917943 /nfs/dbraw/zinc/91/79/43/987917943.db2.gz HUOAGUZGCKBSCZ-GHMZBOCLSA-N 2 1 216.394 1.941 20 0 BDADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246547170 987926899 /nfs/dbraw/zinc/92/68/99/987926899.db2.gz BQGMDOVXGOWCOB-MGPQQGTHSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246547649 987927109 /nfs/dbraw/zinc/92/71/09/987927109.db2.gz FTUUGQWFDKXNMT-NELGMTEASA-N 3 1 237.391 1.330 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246547649 987927120 /nfs/dbraw/zinc/92/71/20/987927120.db2.gz FTUUGQWFDKXNMT-NELGMTEASA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246547649 987927129 /nfs/dbraw/zinc/92/71/29/987927129.db2.gz FTUUGQWFDKXNMT-NELGMTEASA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCSC2)CC1 ZINC001246549179 987936385 /nfs/dbraw/zinc/93/63/85/987936385.db2.gz HOFIJIRDNYGTMG-WDEREUQCSA-N 2 1 214.378 1.695 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001246549490 987937736 /nfs/dbraw/zinc/93/77/36/987937736.db2.gz KYMDDJDEMBZFEJ-CFDXXZMTSA-N 2 1 222.332 1.166 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001246549490 987937745 /nfs/dbraw/zinc/93/77/45/987937745.db2.gz KYMDDJDEMBZFEJ-CFDXXZMTSA-N 2 1 222.332 1.166 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246548198 987938238 /nfs/dbraw/zinc/93/82/38/987938238.db2.gz SPLYOHDTJUXIPH-TZMCWYRMSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCSC2)CC1 ZINC001246549166 987939813 /nfs/dbraw/zinc/93/98/13/987939813.db2.gz HOFIJIRDNYGTMG-MNOVXSKESA-N 2 1 214.378 1.695 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246553966 987956476 /nfs/dbraw/zinc/95/64/76/987956476.db2.gz UGCIKOAFMCTUMU-GSPSYOTPSA-N 2 1 238.375 1.900 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCCOC2)CC1 ZINC001246553574 987958207 /nfs/dbraw/zinc/95/82/07/987958207.db2.gz ZEXXAMVPMMSAAX-VXGBXAGGSA-N 2 1 230.327 1.318 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246553967 987961454 /nfs/dbraw/zinc/96/14/54/987961454.db2.gz UGCIKOAFMCTUMU-WTUNAVPPSA-N 2 1 238.375 1.900 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCCOC2)CC1 ZINC001246553572 987961632 /nfs/dbraw/zinc/96/16/32/987961632.db2.gz ZEXXAMVPMMSAAX-RYUDHWBXSA-N 2 1 230.327 1.318 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246555696 987965854 /nfs/dbraw/zinc/96/58/54/987965854.db2.gz HOMBRQIFRRRMOS-RKQHYHRCSA-N 2 1 237.391 1.044 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1nc(C)ccc1O ZINC001117953436 987966856 /nfs/dbraw/zinc/96/68/56/987966856.db2.gz GZOGZGSYJJHSSQ-SECBINFHSA-N 2 1 223.320 1.183 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556098 987970922 /nfs/dbraw/zinc/97/09/22/987970922.db2.gz YKIHAHFHOBAKJM-AVGNSLFASA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556098 987970938 /nfs/dbraw/zinc/97/09/38/987970938.db2.gz YKIHAHFHOBAKJM-AVGNSLFASA-N 3 1 225.380 1.330 20 0 BDADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246562550 988005970 /nfs/dbraw/zinc/00/59/70/988005970.db2.gz UHDQNWFSLZCOSF-MGPQQGTHSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC001246565260 988014816 /nfs/dbraw/zinc/01/48/16/988014816.db2.gz PHURZWLGCKHRAY-YPMHNXCESA-N 2 1 234.343 1.965 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC001246565260 988014834 /nfs/dbraw/zinc/01/48/34/988014834.db2.gz PHURZWLGCKHRAY-YPMHNXCESA-N 2 1 234.343 1.965 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cnc(C)nc1C ZINC001118122495 988020837 /nfs/dbraw/zinc/02/08/37/988020837.db2.gz YMXWKWXMBLZEDE-NXEZZACHSA-N 2 1 236.363 1.742 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CC[C@@H](C)[NH2+]C)cn1 ZINC001118122092 988026510 /nfs/dbraw/zinc/02/65/10/988026510.db2.gz OPTSYCBXPIYMSX-MNOVXSKESA-N 2 1 224.352 1.552 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246567166 988027439 /nfs/dbraw/zinc/02/74/39/988027439.db2.gz LMOQBGHDQZCXEN-MROQNXINSA-N 2 1 228.380 1.859 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C[C@H]1[NH3+] ZINC001246566051 988028902 /nfs/dbraw/zinc/02/89/02/988028902.db2.gz DKFFGWPDMOUCID-WKPIXPDZSA-N 2 1 248.345 1.962 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCc3cc(F)ccc3C2)C[C@H]1[NH3+] ZINC001246566051 988028918 /nfs/dbraw/zinc/02/89/18/988028918.db2.gz DKFFGWPDMOUCID-WKPIXPDZSA-N 2 1 248.345 1.962 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(C)nn1C ZINC001118122264 988028558 /nfs/dbraw/zinc/02/85/58/988028558.db2.gz SGUIYHVGOHUGJN-ONGXEEELSA-N 2 1 224.352 1.235 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246568152 988036661 /nfs/dbraw/zinc/03/66/61/988036661.db2.gz ZSSUDCDUHSYOMN-JHJVBQTASA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246568152 988036677 /nfs/dbraw/zinc/03/66/77/988036677.db2.gz ZSSUDCDUHSYOMN-JHJVBQTASA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCCNC2)CC1 ZINC001246574048 988066454 /nfs/dbraw/zinc/06/64/54/988066454.db2.gz IBHNRBOYZOBWCD-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCCNC2)CC1 ZINC001246574048 988066469 /nfs/dbraw/zinc/06/64/69/988066469.db2.gz IBHNRBOYZOBWCD-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP CC[C@@H](Cc1ccccc1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578432 988087478 /nfs/dbraw/zinc/08/74/78/988087478.db2.gz BXMXIIGFXJPUJO-KKUMJFAQSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@@]1(F)CCCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246579105 988101506 /nfs/dbraw/zinc/10/15/06/988101506.db2.gz YAFHKZICYXIAMY-GFCCVEGCSA-N 2 1 214.328 1.953 20 0 BDADMP C[C@@H]1CC(N2CCC(F)(F)[C@@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246581460 988107434 /nfs/dbraw/zinc/10/74/34/988107434.db2.gz KTURAQMVQDHJFV-KKZNHRDASA-N 2 1 247.333 1.184 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246582815 988124584 /nfs/dbraw/zinc/12/45/84/988124584.db2.gz TZEOVWBWUSEMBJ-AVGNSLFASA-N 2 1 244.354 1.707 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246582815 988124589 /nfs/dbraw/zinc/12/45/89/988124589.db2.gz TZEOVWBWUSEMBJ-AVGNSLFASA-N 2 1 244.354 1.707 20 0 BDADMP Cc1ccc(C[C@@H](C)[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246583603 988126509 /nfs/dbraw/zinc/12/65/09/988126509.db2.gz KAKONXQDCYMRHB-VHDGCEQUSA-N 2 1 248.370 1.177 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246583092 988128220 /nfs/dbraw/zinc/12/82/20/988128220.db2.gz UCIILGXBLAPMDP-MNOVXSKESA-N 2 1 218.316 1.174 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001246587339 988150266 /nfs/dbraw/zinc/15/02/66/988150266.db2.gz NZZHXYRLOVRLPJ-FIYWTHMPSA-N 2 1 243.370 1.278 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246587339 988150277 /nfs/dbraw/zinc/15/02/77/988150277.db2.gz NZZHXYRLOVRLPJ-FIYWTHMPSA-N 3 1 243.370 1.278 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246587339 988150286 /nfs/dbraw/zinc/15/02/86/988150286.db2.gz NZZHXYRLOVRLPJ-FIYWTHMPSA-N 3 1 243.370 1.278 20 0 BDADMP C[C@H]1CC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@H](C)C1 ZINC001246589098 988153303 /nfs/dbraw/zinc/15/33/03/988153303.db2.gz YZYVOICBZIUTPA-HNCHTBHHSA-N 2 1 226.364 1.063 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246589312 988156383 /nfs/dbraw/zinc/15/63/83/988156383.db2.gz ZNEMWWVNCBYBCN-GCFWVWJCSA-N 2 1 224.348 1.115 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCOCC2)C1 ZINC001246588032 988156637 /nfs/dbraw/zinc/15/66/37/988156637.db2.gz XPYJAYAKGIFYCT-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589045 988157776 /nfs/dbraw/zinc/15/77/76/988157776.db2.gz QZEGGBTUZSQYGI-KGYLQXTDSA-N 2 1 240.322 1.972 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589045 988157780 /nfs/dbraw/zinc/15/77/80/988157780.db2.gz QZEGGBTUZSQYGI-KGYLQXTDSA-N 2 1 240.322 1.972 20 0 BDADMP CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246588576 988161291 /nfs/dbraw/zinc/16/12/91/988161291.db2.gz QNTXZSIIILHEAL-GARJFASQSA-N 2 1 202.317 1.936 20 0 BDADMP CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246588576 988161300 /nfs/dbraw/zinc/16/13/00/988161300.db2.gz QNTXZSIIILHEAL-GARJFASQSA-N 2 1 202.317 1.936 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246595001 988184732 /nfs/dbraw/zinc/18/47/32/988184732.db2.gz XEUFBXOMNJSIGQ-AAVRWANBSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246595001 988184751 /nfs/dbraw/zinc/18/47/51/988184751.db2.gz XEUFBXOMNJSIGQ-AAVRWANBSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246595005 988185039 /nfs/dbraw/zinc/18/50/39/988185039.db2.gz XEUFBXOMNJSIGQ-XJFOESAGSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246595005 988185063 /nfs/dbraw/zinc/18/50/63/988185063.db2.gz XEUFBXOMNJSIGQ-XJFOESAGSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246598339 988193810 /nfs/dbraw/zinc/19/38/10/988193810.db2.gz AIVHUCKXLITPKH-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)[N@H+](C1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC001246596041 988194659 /nfs/dbraw/zinc/19/46/59/988194659.db2.gz UXDOSQMKZNWXIN-ZDUSSCGKSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[N@@H+](C1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC001246596041 988194661 /nfs/dbraw/zinc/19/46/61/988194661.db2.gz UXDOSQMKZNWXIN-ZDUSSCGKSA-N 3 1 239.407 1.591 20 0 BDADMP CC[C@@H]1CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246624129 988280585 /nfs/dbraw/zinc/28/05/85/988280585.db2.gz CAPJRSNJKXCXMH-HZSPNIEDSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@H](CC(C)C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246627496 988300108 /nfs/dbraw/zinc/30/01/08/988300108.db2.gz KHDCHQBCTDVIFD-KGLIPLIRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630827 988310803 /nfs/dbraw/zinc/31/08/03/988310803.db2.gz PJNQXTAWTPSUDG-MQYQWHSLSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630827 988310821 /nfs/dbraw/zinc/31/08/21/988310821.db2.gz PJNQXTAWTPSUDG-MQYQWHSLSA-N 3 1 237.391 1.058 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246636973 988330286 /nfs/dbraw/zinc/33/02/86/988330286.db2.gz HXPVRXZXRIXPGR-GZBLMMOJSA-N 3 1 249.402 1.438 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642976 988355143 /nfs/dbraw/zinc/35/51/43/988355143.db2.gz NQUBCXVLGLEJDH-ZIAGYGMSSA-N 2 1 239.407 1.448 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCCC[N@H+]2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645661 988365345 /nfs/dbraw/zinc/36/53/45/988365345.db2.gz CWZURFDCLXYQHN-XGUBFFRZSA-N 3 1 249.402 1.202 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCCCN2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645661 988365355 /nfs/dbraw/zinc/36/53/55/988365355.db2.gz CWZURFDCLXYQHN-XGUBFFRZSA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12CC[C@H]([N@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646568 988366594 /nfs/dbraw/zinc/36/65/94/988366594.db2.gz GBPIRACEPMWVEB-ZFWWWQNUSA-N 3 1 249.402 1.347 20 0 BDADMP C1[NH2+]CC12CC[C@H](N1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646568 988366605 /nfs/dbraw/zinc/36/66/05/988366605.db2.gz GBPIRACEPMWVEB-ZFWWWQNUSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246649983 988374426 /nfs/dbraw/zinc/37/44/26/988374426.db2.gz ALKNEEBHRNCOHC-QWHCGFSZSA-N 3 1 237.391 1.345 20 0 BDADMP C[C@H]1C[C@H](N2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246649983 988374435 /nfs/dbraw/zinc/37/44/35/988374435.db2.gz ALKNEEBHRNCOHC-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656139 988387073 /nfs/dbraw/zinc/38/70/73/988387073.db2.gz IVDFXZKWGJUXKH-BJJPWKGXSA-N 3 1 237.391 1.186 20 0 BDADMP CCCC[C@@H]1C[C@@H](N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656139 988387085 /nfs/dbraw/zinc/38/70/85/988387085.db2.gz IVDFXZKWGJUXKH-BJJPWKGXSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC[NH2+]1 ZINC001246679282 988425306 /nfs/dbraw/zinc/42/53/06/988425306.db2.gz TUGMSVWKWBOUSN-WYUUTHIRSA-N 2 1 222.332 1.323 20 0 BDADMP c1cc([C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)ccn1 ZINC001246773662 988455423 /nfs/dbraw/zinc/45/54/23/988455423.db2.gz CCSCRDXLRIRUSL-ZDUSSCGKSA-N 2 1 231.343 1.623 20 0 BDADMP C1OCC12CCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246800289 988478643 /nfs/dbraw/zinc/47/86/43/988478643.db2.gz CSYOTMUGTWGIAU-FOSCPWQOSA-N 2 1 222.332 1.134 20 0 BDADMP C1OCC12CCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246800289 988478639 /nfs/dbraw/zinc/47/86/39/988478639.db2.gz CSYOTMUGTWGIAU-FOSCPWQOSA-N 2 1 222.332 1.134 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCCC23COC3)CC[NH2+]1 ZINC001246808181 988489657 /nfs/dbraw/zinc/48/96/57/988489657.db2.gz RZBRNQHTIOFMHS-NEPJUHHUSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCCC23COC3)CC[NH2+]1 ZINC001246808181 988489663 /nfs/dbraw/zinc/48/96/63/988489663.db2.gz RZBRNQHTIOFMHS-NEPJUHHUSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](n3cncn3)C2)CC[NH2+]1 ZINC001246823120 988508585 /nfs/dbraw/zinc/50/85/85/988508585.db2.gz NCKOUQSDHKELDE-FRRDWIJNSA-N 2 1 249.362 1.056 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845828 988552488 /nfs/dbraw/zinc/55/24/88/988552488.db2.gz MGABMFKQSOSDOM-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP CC[C@H]1CCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845830 988557421 /nfs/dbraw/zinc/55/74/21/988557421.db2.gz MGABMFKQSOSDOM-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP CC[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246849102 988562090 /nfs/dbraw/zinc/56/20/90/988562090.db2.gz PZYRVLCPVYRDPC-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246849095 988563431 /nfs/dbraw/zinc/56/34/31/988563431.db2.gz PZYRVLCPVYRDPC-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246852657 988570657 /nfs/dbraw/zinc/57/06/57/988570657.db2.gz JIGNGHMGFMTYAX-XQQFMLRXSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246852657 988570667 /nfs/dbraw/zinc/57/06/67/988570667.db2.gz JIGNGHMGFMTYAX-XQQFMLRXSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246852655 988572143 /nfs/dbraw/zinc/57/21/43/988572143.db2.gz JIGNGHMGFMTYAX-RWMBFGLXSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246852655 988572151 /nfs/dbraw/zinc/57/21/51/988572151.db2.gz JIGNGHMGFMTYAX-RWMBFGLXSA-N 2 1 226.364 1.613 20 0 BDADMP CCOCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246856408 988580567 /nfs/dbraw/zinc/58/05/67/988580567.db2.gz XBWXJZLRRKMBFU-SDDRHHMPSA-N 2 1 212.337 1.225 20 0 BDADMP C1C[C@]2(C[N@H+]1C1CC[NH2+]CC1)CCCOC2 ZINC001246854605 988582894 /nfs/dbraw/zinc/58/28/94/988582894.db2.gz QJPWSPCFQXQZME-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP COC1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246859330 988589558 /nfs/dbraw/zinc/58/95/58/988589558.db2.gz JUOLIAMKOGSWDZ-YWPUVAFDSA-N 2 1 224.348 1.367 20 0 BDADMP CCOC1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246860586 988604570 /nfs/dbraw/zinc/60/45/70/988604570.db2.gz NHAGWQIEPHKEEN-ABXWRUBCSA-N 2 1 238.375 1.757 20 0 BDADMP CC[C@@H](CC(C)C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC001246870535 988628724 /nfs/dbraw/zinc/62/87/24/988628724.db2.gz LUUXWJCXLUMNRY-AWEZNQCLSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(N)C1 ZINC001246874068 988635202 /nfs/dbraw/zinc/63/52/02/988635202.db2.gz VRDKOGAYRNRJOP-IHRRRGAJSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2(N)C1 ZINC001246874068 988635211 /nfs/dbraw/zinc/63/52/11/988635211.db2.gz VRDKOGAYRNRJOP-IHRRRGAJSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246874068 988635231 /nfs/dbraw/zinc/63/52/31/988635231.db2.gz VRDKOGAYRNRJOP-IHRRRGAJSA-N 3 1 239.407 1.530 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246874068 988635246 /nfs/dbraw/zinc/63/52/46/988635246.db2.gz VRDKOGAYRNRJOP-IHRRRGAJSA-N 3 1 239.407 1.530 20 0 BDADMP CCOC(=O)[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246892338 988664242 /nfs/dbraw/zinc/66/42/42/988664242.db2.gz BIRZVLPKYKSCNS-SRVKXCTJSA-N 2 1 240.347 1.012 20 0 BDADMP CCOC(=O)[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246892337 988665211 /nfs/dbraw/zinc/66/52/11/988665211.db2.gz BIRZVLPKYKSCNS-SDDRHHMPSA-N 2 1 240.347 1.012 20 0 BDADMP c1ccc(O[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)nc1 ZINC001246892357 988666352 /nfs/dbraw/zinc/66/63/52/988666352.db2.gz BNWPMULJPNSYLX-ZDUSSCGKSA-N 2 1 247.342 1.287 20 0 BDADMP c1ccc(O[C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)nc1 ZINC001246892357 988666357 /nfs/dbraw/zinc/66/63/57/988666357.db2.gz BNWPMULJPNSYLX-ZDUSSCGKSA-N 2 1 247.342 1.287 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2CN)C1 ZINC001246907692 988687274 /nfs/dbraw/zinc/68/72/74/988687274.db2.gz HRYGGMRSYOBEQD-IJLUTSLNSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2CN)C1 ZINC001246907692 988687280 /nfs/dbraw/zinc/68/72/80/988687280.db2.gz HRYGGMRSYOBEQD-IJLUTSLNSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@@H]1C[C@@H](N2CC[C@@H]([N@@H+](C)C3CC3)C2)CC[NH2+]1 ZINC001246910125 988688007 /nfs/dbraw/zinc/68/80/07/988688007.db2.gz KNDPNGYDPIATKX-KWCYVHTRSA-N 2 1 237.391 1.295 20 0 BDADMP CC[N@@H+](CCn1ccnc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246917499 988714454 /nfs/dbraw/zinc/71/44/54/988714454.db2.gz DFHBZHXNUOZRIU-QWHCGFSZSA-N 2 1 236.363 1.346 20 0 BDADMP CC[N@@H+](CCC(=O)OC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246918550 988715553 /nfs/dbraw/zinc/71/55/53/988715553.db2.gz FGPQZOLLUVRGHH-MNOVXSKESA-N 2 1 228.336 1.012 20 0 BDADMP CC[N@@H+](CCn1ccnc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246917506 988722075 /nfs/dbraw/zinc/72/20/75/988722075.db2.gz DFHBZHXNUOZRIU-STQMWFEESA-N 2 1 236.363 1.346 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@@H]4C[NH2+]C[C@H]43)C[C@@H]21 ZINC001246918962 988725178 /nfs/dbraw/zinc/72/51/78/988725178.db2.gz LNBCQEQPNOROLN-KKJSVHSVSA-N 2 1 206.333 1.325 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@@H]4C[NH2+]C[C@H]43)C[C@@H]21 ZINC001246918962 988725194 /nfs/dbraw/zinc/72/51/94/988725194.db2.gz LNBCQEQPNOROLN-KKJSVHSVSA-N 2 1 206.333 1.325 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)[C@@H]2CCCCNC2)CC1 ZINC001246920614 988725778 /nfs/dbraw/zinc/72/57/78/988725778.db2.gz OGLCKOBERYZPBV-JXQTWKCFSA-N 2 1 239.407 1.591 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCCCNC2)CC1 ZINC001246920614 988725798 /nfs/dbraw/zinc/72/57/98/988725798.db2.gz OGLCKOBERYZPBV-JXQTWKCFSA-N 2 1 239.407 1.591 20 0 BDADMP CC1(C)CC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC(C)(C)O1 ZINC001246923878 988741658 /nfs/dbraw/zinc/74/16/58/988741658.db2.gz ZZUONDVSORYTDD-JQWIXIFHSA-N 2 1 238.375 1.626 20 0 BDADMP CC1(C)CC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC(C)(C)O1 ZINC001246923878 988741673 /nfs/dbraw/zinc/74/16/73/988741673.db2.gz ZZUONDVSORYTDD-JQWIXIFHSA-N 2 1 238.375 1.626 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccco1 ZINC001246976174 988807364 /nfs/dbraw/zinc/80/73/64/988807364.db2.gz YQGQIKFUODMPAQ-QWRGUYRKSA-N 2 1 210.321 1.880 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccco1 ZINC001246976174 988807370 /nfs/dbraw/zinc/80/73/70/988807370.db2.gz YQGQIKFUODMPAQ-QWRGUYRKSA-N 2 1 210.321 1.880 20 0 BDADMP CCCC(CCC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246987407 988821991 /nfs/dbraw/zinc/82/19/91/988821991.db2.gz GTKXDSLKHXYYTP-LBPRGKRZSA-N 2 1 226.364 1.615 20 0 BDADMP CCCC(CCC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246987407 988821995 /nfs/dbraw/zinc/82/19/95/988821995.db2.gz GTKXDSLKHXYYTP-LBPRGKRZSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246995967 988828262 /nfs/dbraw/zinc/82/82/62/988828262.db2.gz WSHLPLDFTKJRBW-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP O=C1CCC[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]12 ZINC001247005641 988834631 /nfs/dbraw/zinc/83/46/31/988834631.db2.gz QUQSOLVXQVMFKS-ZYHUDNBSSA-N 2 1 222.332 1.039 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CO1 ZINC001247016154 988843221 /nfs/dbraw/zinc/84/32/21/988843221.db2.gz SAODTXBAROGNRD-AGIUHOORSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cccnc1-c1noc([C@H]([NH3+])CCC[NH3+])n1 ZINC001247509461 988906444 /nfs/dbraw/zinc/90/64/44/988906444.db2.gz VRWZAYMITBTALY-SECBINFHSA-N 2 1 247.302 1.179 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n(C2CC2)c1 ZINC001324659449 988912421 /nfs/dbraw/zinc/91/24/21/988912421.db2.gz BZJOZSAUFRBFLE-RYUDHWBXSA-N 2 1 231.343 1.474 20 0 BDADMP Cc1cc(CO)cc(NCCC[NH+](C)C)[nH+]1 ZINC001515298844 989020645 /nfs/dbraw/zinc/02/06/45/989020645.db2.gz GJNBUBXFLYNMEJ-UHFFFAOYSA-N 2 1 223.320 1.246 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C2CCC1(CO)CC2 ZINC000722987112 989055423 /nfs/dbraw/zinc/05/54/23/989055423.db2.gz SZOPZLILGPTXAV-IYXRBSQSSA-N 2 1 238.375 1.460 20 0 BDADMP CC1(C)CC[N@H+](CCNc2cc[nH+]c(N)n2)C1 ZINC001516052158 989139158 /nfs/dbraw/zinc/13/91/58/989139158.db2.gz SDMIUWKTJIRLJO-UHFFFAOYSA-N 2 1 235.335 1.203 20 0 BDADMP CC1(C)CC[N@@H+](CCNc2cc[nH+]c(N)n2)C1 ZINC001516052158 989139163 /nfs/dbraw/zinc/13/91/63/989139163.db2.gz SDMIUWKTJIRLJO-UHFFFAOYSA-N 2 1 235.335 1.203 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC001120007046 989560953 /nfs/dbraw/zinc/56/09/53/989560953.db2.gz FUXRMGQYQCPMCG-LBPRGKRZSA-N 2 1 249.358 1.718 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2cccnc21 ZINC001326474460 989573121 /nfs/dbraw/zinc/57/31/21/989573121.db2.gz XSEDXRUQTPZIJE-DGCLKSJQSA-N 2 1 233.359 1.904 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])CC ZINC001326688136 989652043 /nfs/dbraw/zinc/65/20/43/989652043.db2.gz OYLQGKQWCWHIGD-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001120521371 989692627 /nfs/dbraw/zinc/69/26/27/989692627.db2.gz JPEYIHDJNGVGFF-SDDRHHMPSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH+]cc2)C1 ZINC001120779212 989874766 /nfs/dbraw/zinc/87/47/66/989874766.db2.gz BMEBCXFYJXLRLT-CQSZACIVSA-N 2 1 249.358 1.272 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNc1nccnc1C[NH3+] ZINC001120850481 989920158 /nfs/dbraw/zinc/92/01/58/989920158.db2.gz YWACKBGXJXNJCE-NSHDSACASA-N 2 1 249.362 1.222 20 0 BDADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC001122346050 990349102 /nfs/dbraw/zinc/34/91/02/990349102.db2.gz FSUYXBRELOQSQM-LLVKDONJSA-N 2 1 247.342 1.426 20 0 BDADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H](C)CCC=C(C)C ZINC001258076954 990972163 /nfs/dbraw/zinc/97/21/63/990972163.db2.gz UHNWQVOAEVYCJM-NEPJUHHUSA-N 2 1 242.363 1.459 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CC2CC(O)C2)CC1 ZINC001308693242 991101385 /nfs/dbraw/zinc/10/13/85/991101385.db2.gz BKWHKANOSFYZSP-UHFFFAOYSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC001308803367 991140555 /nfs/dbraw/zinc/14/05/55/991140555.db2.gz WEJRBJFMDGLDKB-UONOGXRCSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+]1CCC[C@@H](N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC001308803367 991140562 /nfs/dbraw/zinc/14/05/62/991140562.db2.gz WEJRBJFMDGLDKB-UONOGXRCSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+]1CCC[C@@H](N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC001308803367 991140567 /nfs/dbraw/zinc/14/05/67/991140567.db2.gz WEJRBJFMDGLDKB-UONOGXRCSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308983621 991250094 /nfs/dbraw/zinc/25/00/94/991250094.db2.gz GHEIQXQJHIXDCO-AAVRWANBSA-N 2 1 240.391 1.730 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258351241 991285039 /nfs/dbraw/zinc/28/50/39/991285039.db2.gz KTWOSAJZIWOQAY-NWDGAFQWSA-N 2 1 242.363 1.402 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001258363283 991302864 /nfs/dbraw/zinc/30/28/64/991302864.db2.gz GASULRMQYAWXKX-SDDRHHMPSA-N 2 1 242.363 1.258 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001258363283 991302851 /nfs/dbraw/zinc/30/28/51/991302851.db2.gz GASULRMQYAWXKX-SDDRHHMPSA-N 2 1 242.363 1.258 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCC(=O)OC ZINC001258376680 991333997 /nfs/dbraw/zinc/33/39/97/991333997.db2.gz HAQDFOVHTMZSLS-GFCCVEGCSA-N 2 1 244.379 1.602 20 0 BDADMP C[C@H](CC1CC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258473594 991446629 /nfs/dbraw/zinc/44/66/29/991446629.db2.gz OSLKMRRDYLIFCE-RTXFEEFZSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H](CC1CC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258473594 991446636 /nfs/dbraw/zinc/44/66/36/991446636.db2.gz OSLKMRRDYLIFCE-RTXFEEFZSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H](CC1CC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258473594 991446641 /nfs/dbraw/zinc/44/66/41/991446641.db2.gz OSLKMRRDYLIFCE-RTXFEEFZSA-N 2 1 208.349 1.668 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccco3)[C@H]2C1 ZINC001560622896 991524391 /nfs/dbraw/zinc/52/43/91/991524391.db2.gz ODZRZFULIGGJPZ-WCFLWFBJSA-N 2 1 220.316 1.709 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccco3)[C@H]2C1 ZINC001560622896 991524402 /nfs/dbraw/zinc/52/44/02/991524402.db2.gz ODZRZFULIGGJPZ-WCFLWFBJSA-N 2 1 220.316 1.709 20 0 BDADMP C[C@@]1(F)CC[N@@H+](CCCC[NH3+])C[C@H]1F ZINC001206743541 991634430 /nfs/dbraw/zinc/63/44/30/991634430.db2.gz ACFHSVQOGBANOW-NXEZZACHSA-N 2 1 206.280 1.497 20 0 BDADMP C[C@@]1(F)CC[N@@H+](CCCC[NH3+])C[C@@H]1F ZINC001206743543 991634843 /nfs/dbraw/zinc/63/48/43/991634843.db2.gz ACFHSVQOGBANOW-VHSXEESVSA-N 2 1 206.280 1.497 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001258771511 991737145 /nfs/dbraw/zinc/73/71/45/991737145.db2.gz GVONZBMAEYZYMY-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001258771511 991737155 /nfs/dbraw/zinc/73/71/55/991737155.db2.gz GVONZBMAEYZYMY-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC([N@H+](CC)CCC(N)=O)CC1 ZINC001258773822 991737939 /nfs/dbraw/zinc/73/79/39/991737939.db2.gz DLFFXJZMMVILLB-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP CCC[NH+]1CCC([N@@H+](CC)CCC(N)=O)CC1 ZINC001258773822 991737947 /nfs/dbraw/zinc/73/79/47/991737947.db2.gz DLFFXJZMMVILLB-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC001258771896 991740966 /nfs/dbraw/zinc/74/09/66/991740966.db2.gz ZQXACUQABKYAJR-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC001258771896 991740973 /nfs/dbraw/zinc/74/09/73/991740973.db2.gz ZQXACUQABKYAJR-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC(N2C[C@@H]3C[C@H]2C[N@H+]3C)CC1 ZINC001258775937 991745551 /nfs/dbraw/zinc/74/55/51/991745551.db2.gz LJSIJLHSVQTACG-KBPBESRZSA-N 2 1 237.391 1.249 20 0 BDADMP CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1cnn(C)c1 ZINC001261423913 992297563 /nfs/dbraw/zinc/29/75/63/992297563.db2.gz IQBIKPIMAVOLJO-JQWIXIFHSA-N 2 1 224.352 1.459 20 0 BDADMP CC[N@H+]1CCC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC001261577558 992400079 /nfs/dbraw/zinc/40/00/79/992400079.db2.gz CBLKFFMXOFKJOC-GFCCVEGCSA-N 2 1 238.379 1.047 20 0 BDADMP C(NC[C@H]1CC[N@H+]1C1CCCCC1)C1C[NH2+]C1 ZINC001574794566 992907500 /nfs/dbraw/zinc/90/75/00/992907500.db2.gz DWNORYCRNKSSME-CQSZACIVSA-N 2 1 237.391 1.202 20 0 BDADMP C1CC2(C1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCO[C@@H]12 ZINC001574816174 992915886 /nfs/dbraw/zinc/91/58/86/992915886.db2.gz AUYOGBHKKWYXRT-VOAKCMCISA-N 2 1 236.359 1.286 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H](C)O ZINC001262570184 992927794 /nfs/dbraw/zinc/92/77/94/992927794.db2.gz PMJFKNBAHYMOIJ-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP C=Cn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001574962313 992950834 /nfs/dbraw/zinc/95/08/34/992950834.db2.gz JHCKWCLONXYSCY-ZYHUDNBSSA-N 2 1 220.320 1.010 20 0 BDADMP C/C(=C/c1ccccc1)C[N@@H+](C)CCOCC[NH3+] ZINC001574980972 992959223 /nfs/dbraw/zinc/95/92/23/992959223.db2.gz WQKMALDCSDSYOM-OWBHPGMISA-N 2 1 248.370 1.997 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC001575148964 992997056 /nfs/dbraw/zinc/99/70/56/992997056.db2.gz BMNAKLNTZWZGHO-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001575281864 993003220 /nfs/dbraw/zinc/00/32/20/993003220.db2.gz IFJQFGIMHAINDN-AOOOYVTPSA-N 2 1 222.336 1.287 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cc[nH+]cc1 ZINC001262686406 993026462 /nfs/dbraw/zinc/02/64/62/993026462.db2.gz IVPZJJQCKCSVPF-MFKMUULPSA-N 2 1 217.316 1.398 20 0 BDADMP CC(C)(O)CC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001575379740 993031681 /nfs/dbraw/zinc/03/16/81/993031681.db2.gz KBHCAFXVTGPUPT-AWEZNQCLSA-N 2 1 240.391 1.756 20 0 BDADMP CC(C)C[N@@H+](C)CCCNc1cc[nH+]c(N)n1 ZINC001262700873 993040345 /nfs/dbraw/zinc/04/03/45/993040345.db2.gz UXYNOGKHRBSQHY-UHFFFAOYSA-N 2 1 237.351 1.449 20 0 BDADMP Nc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ncn1 ZINC001262701399 993044147 /nfs/dbraw/zinc/04/41/47/993044147.db2.gz LFDRKDDKJQJLQW-QWRGUYRKSA-N 2 1 247.346 1.488 20 0 BDADMP CC(C)[C@@H](O)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001575470596 993051585 /nfs/dbraw/zinc/05/15/85/993051585.db2.gz DAXJHMXGINSGDZ-ZDUSSCGKSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575565732 993071367 /nfs/dbraw/zinc/07/13/67/993071367.db2.gz OPROINVVOLLRIH-RDBSUJKOSA-N 2 1 240.391 1.325 20 0 BDADMP CC(C)CCCC[NH2+]C1(C[NH3+])CCOCC1 ZINC001575571504 993071854 /nfs/dbraw/zinc/07/18/54/993071854.db2.gz YTXUFGJUXMIXDA-UHFFFAOYSA-N 2 1 228.380 1.910 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001575555116 993073462 /nfs/dbraw/zinc/07/34/62/993073462.db2.gz PSPDFPXTYFOTLF-RWMBFGLXSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001575699758 993097707 /nfs/dbraw/zinc/09/77/07/993097707.db2.gz KRAZUAGIKWJWQF-MJBXVCDLSA-N 2 1 237.391 1.295 20 0 BDADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)CC(C)(C)[NH3+] ZINC001575701011 993099065 /nfs/dbraw/zinc/09/90/65/993099065.db2.gz UPWLLPGMAMAYHK-ZDUSSCGKSA-N 2 1 241.423 1.918 20 0 BDADMP CC(C)OC1CC([N@H+](C)CC(C)(C)[NH3+])C1 ZINC001575748331 993104674 /nfs/dbraw/zinc/10/46/74/993104674.db2.gz AMTWFFBCGWFGLU-UHFFFAOYSA-N 2 1 214.353 1.612 20 0 BDADMP CC(C)OC1CC([N@@H+](C)CC(C)(C)[NH3+])C1 ZINC001575748331 993104677 /nfs/dbraw/zinc/10/46/77/993104677.db2.gz AMTWFFBCGWFGLU-UHFFFAOYSA-N 2 1 214.353 1.612 20 0 BDADMP C[C@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Cn1ccnc1 ZINC001576032533 993161853 /nfs/dbraw/zinc/16/18/53/993161853.db2.gz GPTNRERZTUNFGT-ZJUUUORDSA-N 2 1 246.305 1.091 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576156850 993195755 /nfs/dbraw/zinc/19/57/55/993195755.db2.gz LFYOINIHVBUXEI-RXGFPQBGSA-N 2 1 208.349 1.702 20 0 BDADMP C[C@@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1CCCOC1 ZINC001576234237 993224203 /nfs/dbraw/zinc/22/42/03/993224203.db2.gz URQRQSQYGLDURL-NXEZZACHSA-N 2 1 200.326 1.128 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000379548504 993254046 /nfs/dbraw/zinc/25/40/46/993254046.db2.gz JFLQUIVZJAZKTP-UTUOFQBUSA-N 2 1 240.391 1.323 20 0 BDADMP CC1(C)CC[C@H](CO)[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576420908 993299516 /nfs/dbraw/zinc/29/95/16/993299516.db2.gz BBRSXEHVOGYKOD-YNEHKIRRSA-N 2 1 240.391 1.597 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@H]1CCC[NH2+]C1 ZINC001576434351 993304144 /nfs/dbraw/zinc/30/41/44/993304144.db2.gz RYXLNDUBWRRPGK-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccno2)C1 ZINC001576481273 993318896 /nfs/dbraw/zinc/31/88/96/993318896.db2.gz WDMXPXFHPWMALB-SNVBAGLBSA-N 2 1 223.320 1.542 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC001576572303 993349832 /nfs/dbraw/zinc/34/98/32/993349832.db2.gz KOCRCHYSYNXENY-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001576574809 993350149 /nfs/dbraw/zinc/35/01/49/993350149.db2.gz YUIDATYYBBHZBL-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1[C@@H](CO)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573616 993350465 /nfs/dbraw/zinc/35/04/65/993350465.db2.gz SRJRBWFCJSGPEC-WUHRBBMRSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH2+][C@H]3C[C@H]32)C1 ZINC001576590803 993360785 /nfs/dbraw/zinc/36/07/85/993360785.db2.gz CTKNJIOFPAZZHV-RFQIPJPRSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC001576597767 993361529 /nfs/dbraw/zinc/36/15/29/993361529.db2.gz HPFGURLSZPAHCI-QNWHQSFQSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC001576597767 993361525 /nfs/dbraw/zinc/36/15/25/993361525.db2.gz HPFGURLSZPAHCI-QNWHQSFQSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2CC[NH2+]CC2)CCO1 ZINC001576597095 993361861 /nfs/dbraw/zinc/36/18/61/993361861.db2.gz DIOLORHEFLMEAE-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[C@H](N[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1C ZINC001576622183 993372585 /nfs/dbraw/zinc/37/25/85/993372585.db2.gz AVFAORAMTVDTIH-DGAVXFQQSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001576623982 993374148 /nfs/dbraw/zinc/37/41/48/993374148.db2.gz NPUHFCDOYVARFE-WUHRBBMRSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCN1C ZINC001576623982 993374152 /nfs/dbraw/zinc/37/41/52/993374152.db2.gz NPUHFCDOYVARFE-WUHRBBMRSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001576622181 993374461 /nfs/dbraw/zinc/37/44/61/993374461.db2.gz AURDGLJZAUVHLZ-WHOHXGKFSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1CCC(=O)C[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576636514 993378992 /nfs/dbraw/zinc/37/89/92/993378992.db2.gz KUTHUINPVUVYJZ-OUAUKWLOSA-N 2 1 210.321 1.167 20 0 BDADMP C[C@@H]1CCC(=O)C[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576636514 993378996 /nfs/dbraw/zinc/37/89/96/993378996.db2.gz KUTHUINPVUVYJZ-OUAUKWLOSA-N 2 1 210.321 1.167 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)C2CC2)[C@H]1C ZINC001576652534 993384233 /nfs/dbraw/zinc/38/42/33/993384233.db2.gz WZLVRSPBRRQKTR-DNIRFERGSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)C2CC2)[C@H]1C ZINC001576652534 993384238 /nfs/dbraw/zinc/38/42/38/993384238.db2.gz WZLVRSPBRRQKTR-DNIRFERGSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC001576748036 993411741 /nfs/dbraw/zinc/41/17/41/993411741.db2.gz GOQHFKRZSXXNSJ-NRUUGDAUSA-N 2 1 235.331 1.263 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC001576748035 993412290 /nfs/dbraw/zinc/41/22/90/993412290.db2.gz GOQHFKRZSXXNSJ-GIPNMCIBSA-N 2 1 235.331 1.263 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@@]1(C)CO ZINC001576800577 993424823 /nfs/dbraw/zinc/42/48/23/993424823.db2.gz KHOQLFUDCWQQGV-RDBSUJKOSA-N 2 1 240.391 1.326 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC001576806040 993426324 /nfs/dbraw/zinc/42/63/24/993426324.db2.gz ALWITKBWAFVTNM-VTPLQMEGSA-N 2 1 248.374 1.193 20 0 BDADMP C[C@H]1C[N@H+](CC2CCC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576801008 993428013 /nfs/dbraw/zinc/42/80/13/993428013.db2.gz OVTKAFRKYDFUBJ-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1C[N@@H+](CC2CCC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576801008 993428022 /nfs/dbraw/zinc/42/80/22/993428022.db2.gz OVTKAFRKYDFUBJ-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1COCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576855688 993436738 /nfs/dbraw/zinc/43/67/38/993436738.db2.gz VQXLBMVSEUHDDO-GRYCIOLGSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1Cc2n[nH]cc2C[N@H+](CCC2C[NH2+]C2)C1 ZINC001576861351 993439292 /nfs/dbraw/zinc/43/92/92/993439292.db2.gz CRXZZYRNBDATKC-JTQLQIEISA-N 2 1 234.347 1.013 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576904245 993450416 /nfs/dbraw/zinc/45/04/16/993450416.db2.gz SSUTZNQPOVTHAN-ZFDZMSFRSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576903409 993451572 /nfs/dbraw/zinc/45/15/72/993451572.db2.gz JJHNBINOGXHGGE-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP CCC(CC)[N@@H+](CC)C[C@@H](O)CC[NH3+] ZINC001577069703 993491916 /nfs/dbraw/zinc/49/19/16/993491916.db2.gz RRKWGMYELPBLEZ-NSHDSACASA-N 2 1 202.342 1.207 20 0 BDADMP CC[C@@H](CCO)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577077814 993495108 /nfs/dbraw/zinc/49/51/08/993495108.db2.gz XDERMBDTTMBICN-DTWKUNHWSA-N 2 1 242.285 1.264 20 0 BDADMP Cc1nc2c(n1[C@@H]1CCC[N@H+](C)C1)C[NH2+]CC2 ZINC000383941423 993529457 /nfs/dbraw/zinc/52/94/57/993529457.db2.gz VFGJAEBAMIHEKR-LLVKDONJSA-N 2 1 234.347 1.104 20 0 BDADMP CC[C@]1(C)CCC[N@@H+](C[C@]2(O)CC[NH2+]C2)C1 ZINC001577205653 993545443 /nfs/dbraw/zinc/54/54/43/993545443.db2.gz VVTYUEMRNDHTJA-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577240403 993555644 /nfs/dbraw/zinc/55/56/44/993555644.db2.gz GJAXRDSFZYSUFL-WUHRBBMRSA-N 2 1 226.364 1.207 20 0 BDADMP CCC[C@](C)(O)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577330774 993594108 /nfs/dbraw/zinc/59/41/08/993594108.db2.gz GDIXVFIBCGSTPU-IUCAKERBSA-N 2 1 242.285 1.407 20 0 BDADMP CCC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001577369896 993626718 /nfs/dbraw/zinc/62/67/18/993626718.db2.gz VQDDVNOEOZUVEJ-WOPDTQHZSA-N 2 1 214.353 1.207 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001577369896 993626728 /nfs/dbraw/zinc/62/67/28/993626728.db2.gz VQDDVNOEOZUVEJ-WOPDTQHZSA-N 2 1 214.353 1.207 20 0 BDADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)C[NH2+]C ZINC001577375254 993629675 /nfs/dbraw/zinc/62/96/75/993629675.db2.gz UPJVYWFYPJCAAE-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001577400580 993640884 /nfs/dbraw/zinc/64/08/84/993640884.db2.gz ALPBREDMDNLHJO-WOPDTQHZSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001577400580 993640894 /nfs/dbraw/zinc/64/08/94/993640894.db2.gz ALPBREDMDNLHJO-WOPDTQHZSA-N 2 1 241.379 1.055 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC001577510289 993675295 /nfs/dbraw/zinc/67/52/95/993675295.db2.gz IVVMVMBVVKONCJ-NSHDSACASA-N 2 1 243.395 1.350 20 0 BDADMP CCC[N@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC001577533253 993679355 /nfs/dbraw/zinc/67/93/55/993679355.db2.gz BQUGCWJXLSYCJP-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC(C)(C)O ZINC001577523838 993680719 /nfs/dbraw/zinc/68/07/19/993680719.db2.gz IHFXDTMAJWPILX-NEPJUHHUSA-N 2 1 228.380 1.325 20 0 BDADMP COc1ncccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000386295420 993684647 /nfs/dbraw/zinc/68/46/47/993684647.db2.gz DTUKGHHCGNSQQE-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ncccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000386295420 993684651 /nfs/dbraw/zinc/68/46/51/993684651.db2.gz DTUKGHHCGNSQQE-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(CC2(C[NH3+])CCC2)C1 ZINC001577654895 993703051 /nfs/dbraw/zinc/70/30/51/993703051.db2.gz KTNSVBBCZHLNJU-LBPRGKRZSA-N 2 1 225.380 1.141 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(C(=O)CCCCC[NH3+])C1 ZINC001577655126 993708810 /nfs/dbraw/zinc/70/88/10/993708810.db2.gz RPBCZICRVNDXTP-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654843 993709728 /nfs/dbraw/zinc/70/97/28/993709728.db2.gz JASVSIBHLFAREE-BFHYXJOUSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654843 993709730 /nfs/dbraw/zinc/70/97/30/993709730.db2.gz JASVSIBHLFAREE-BFHYXJOUSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577654843 993709740 /nfs/dbraw/zinc/70/97/40/993709740.db2.gz JASVSIBHLFAREE-BFHYXJOUSA-N 3 1 239.407 1.387 20 0 BDADMP Nc1cccc(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC000700405662 993835897 /nfs/dbraw/zinc/83/58/97/993835897.db2.gz HNVPTOUCYUHNRU-UHFFFAOYSA-N 2 1 245.370 1.939 20 0 BDADMP COC(C)(C)CC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000393758869 994004067 /nfs/dbraw/zinc/00/40/67/994004067.db2.gz YXPYGIRZGWPNHK-GFCCVEGCSA-N 2 1 228.380 1.862 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](CC1CC1)C1CC1 ZINC000393859763 994018817 /nfs/dbraw/zinc/01/88/17/994018817.db2.gz FKZZRQHZYXFVAY-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000702665518 994030490 /nfs/dbraw/zinc/03/04/90/994030490.db2.gz YRGAJGOXYZUFFC-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CCOC(C)(C)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000702741929 994043805 /nfs/dbraw/zinc/04/38/05/994043805.db2.gz DWELAJNIMMCHKD-NXEZZACHSA-N 2 1 200.326 1.081 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)o1 ZINC001332399442 994077935 /nfs/dbraw/zinc/07/79/35/994077935.db2.gz COXQLATXXKCNEU-MNOVXSKESA-N 2 1 237.347 1.979 20 0 BDADMP CC[N@@H+]1CCCN(Cc2cnc(C)[nH]2)CC1 ZINC000724778410 994078566 /nfs/dbraw/zinc/07/85/66/994078566.db2.gz YSMOECCKIXSYNE-UHFFFAOYSA-N 2 1 222.336 1.246 20 0 BDADMP CC[N@H+]1CCCN(Cc2cnc(C)[nH]2)CC1 ZINC000724778410 994078572 /nfs/dbraw/zinc/07/85/72/994078572.db2.gz YSMOECCKIXSYNE-UHFFFAOYSA-N 2 1 222.336 1.246 20 0 BDADMP C1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2O1 ZINC000724810913 994080459 /nfs/dbraw/zinc/08/04/59/994080459.db2.gz GNALKPHLMJNXBZ-YIPFDTCYSA-N 2 1 236.359 1.380 20 0 BDADMP C1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2O1 ZINC000724810913 994080473 /nfs/dbraw/zinc/08/04/73/994080473.db2.gz GNALKPHLMJNXBZ-YIPFDTCYSA-N 2 1 236.359 1.380 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNc1nccnc1C[NH3+] ZINC001337772241 995218003 /nfs/dbraw/zinc/21/80/03/995218003.db2.gz QXUUTHZFWPMHRB-NSHDSACASA-N 2 1 249.362 1.222 20 0 BDADMP C[NH+]1CC[C@@H]2CN(CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001307784839 995462746 /nfs/dbraw/zinc/46/27/46/995462746.db2.gz IMXYALLJCWNCDU-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001307784839 995462751 /nfs/dbraw/zinc/46/27/51/995462751.db2.gz IMXYALLJCWNCDU-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001307784839 995462755 /nfs/dbraw/zinc/46/27/55/995462755.db2.gz IMXYALLJCWNCDU-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000082991560 349441472 /nfs/dbraw/zinc/44/14/72/349441472.db2.gz HDWCOVATGAXMNH-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175010099 365524255 /nfs/dbraw/zinc/52/42/55/365524255.db2.gz HEXHUPQEMQORSR-NEPJUHHUSA-N 2 1 236.363 1.383 20 0 BDADMP CO[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000161593694 349481884 /nfs/dbraw/zinc/48/18/84/349481884.db2.gz SQGVZUFFRSNLGB-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CO[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000161593694 349481888 /nfs/dbraw/zinc/48/18/88/349481888.db2.gz SQGVZUFFRSNLGB-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000062980261 349503014 /nfs/dbraw/zinc/50/30/14/349503014.db2.gz CHQPMFGHTGKRET-AWEZNQCLSA-N 2 1 237.391 1.156 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000336233836 178033975 /nfs/dbraw/zinc/03/39/75/178033975.db2.gz QAEHDWMTWQCKGU-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000336233836 178033977 /nfs/dbraw/zinc/03/39/77/178033977.db2.gz QAEHDWMTWQCKGU-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175010146 365525224 /nfs/dbraw/zinc/52/52/24/365525224.db2.gz HEXHUPQEMQORSR-NWDGAFQWSA-N 2 1 236.363 1.383 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000390454130 398173884 /nfs/dbraw/zinc/17/38/84/398173884.db2.gz CCYCBOBTIPCGMF-WCQYABFASA-N 2 1 208.349 1.860 20 0 BDADMP CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422976751 398161082 /nfs/dbraw/zinc/16/10/82/398161082.db2.gz IXLINWAGASNMSG-WISYIIOYSA-N 2 1 246.420 1.219 20 0 BDADMP Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nc(C)[nH+]1 ZINC000302541974 178100837 /nfs/dbraw/zinc/10/08/37/178100837.db2.gz OCGGGGAVIPUAHA-ZWNOBZJWSA-N 2 1 248.374 1.870 20 0 BDADMP Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)nc(C)[nH+]1 ZINC000302541974 178100840 /nfs/dbraw/zinc/10/08/40/178100840.db2.gz OCGGGGAVIPUAHA-ZWNOBZJWSA-N 2 1 248.374 1.870 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334260154 398194697 /nfs/dbraw/zinc/19/46/97/398194697.db2.gz RKCLILJIDLWLMO-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334260154 398194699 /nfs/dbraw/zinc/19/46/99/398194699.db2.gz RKCLILJIDLWLMO-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc[nH+]1 ZINC000274814446 178117075 /nfs/dbraw/zinc/11/70/75/178117075.db2.gz YSVSNVOVMJPPAQ-JSGCOSHPSA-N 2 1 231.343 1.920 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649414410 398212777 /nfs/dbraw/zinc/21/27/77/398212777.db2.gz YHOCVMZEECCXPQ-UONOGXRCSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169480 398221641 /nfs/dbraw/zinc/22/16/41/398221641.db2.gz UJJNAUUKBRZSSS-GFCCVEGCSA-N 2 1 237.347 1.852 20 0 BDADMP Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)cc[nH+]1 ZINC000274938808 178186069 /nfs/dbraw/zinc/18/60/69/178186069.db2.gz SMZCEFNNCISDJS-CYBMUJFWSA-N 2 1 248.374 1.438 20 0 BDADMP CCC(CC)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336673928 168353528 /nfs/dbraw/zinc/35/35/28/168353528.db2.gz GWBYVMDWDFSQPB-STQMWFEESA-N 2 1 210.365 1.964 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430557199 398227787 /nfs/dbraw/zinc/22/77/87/398227787.db2.gz SBOGVXAWMLFLSY-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000380108156 488173775 /nfs/dbraw/zinc/17/37/75/488173775.db2.gz YYJZNHYFYXOFGC-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CCCC1 ZINC000380108156 488173779 /nfs/dbraw/zinc/17/37/79/488173779.db2.gz YYJZNHYFYXOFGC-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC000380108156 488173783 /nfs/dbraw/zinc/17/37/83/488173783.db2.gz YYJZNHYFYXOFGC-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@@H](CNC(=O)CCC[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430766223 398231731 /nfs/dbraw/zinc/23/17/31/398231731.db2.gz WMPMCXXZNBIQAR-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C[C@@H](C)O ZINC000576475606 365606591 /nfs/dbraw/zinc/60/65/91/365606591.db2.gz IMBUYEJFRSJHDF-GFCCVEGCSA-N 2 1 239.363 1.444 20 0 BDADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C[C@@H](C)O ZINC000576475606 365606594 /nfs/dbraw/zinc/60/65/94/365606594.db2.gz IMBUYEJFRSJHDF-GFCCVEGCSA-N 2 1 239.363 1.444 20 0 BDADMP C[N@H+](CC[NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000094010481 398244375 /nfs/dbraw/zinc/24/43/75/398244375.db2.gz VOXKEBHORKEKEK-UHFFFAOYSA-N 3 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC[NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000094010481 398244381 /nfs/dbraw/zinc/24/43/81/398244381.db2.gz VOXKEBHORKEKEK-UHFFFAOYSA-N 3 1 239.407 1.450 20 0 BDADMP CO[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000356350144 398247382 /nfs/dbraw/zinc/24/73/82/398247382.db2.gz RRJGJWQYRFFUAL-CQSZACIVSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCOCC2)C[C@@]1(C)C[NH3+] ZINC000309220677 259311769 /nfs/dbraw/zinc/31/17/69/259311769.db2.gz XTLIXGYEEVELTP-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576703095 365662815 /nfs/dbraw/zinc/66/28/15/365662815.db2.gz AMWOUYPHNRKBAS-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000647997421 398255342 /nfs/dbraw/zinc/25/53/42/398255342.db2.gz BOFBDHWWDRXIQS-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649471989 398273421 /nfs/dbraw/zinc/27/34/21/398273421.db2.gz XZHPMDDUNMJUQL-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1[C@H](C)OCCN1CC[C@@H]1CCC[N@H+]1C ZINC000162280633 349612647 /nfs/dbraw/zinc/61/26/47/349612647.db2.gz WIHUUFUBYFHVKD-AGIUHOORSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649479772 398277752 /nfs/dbraw/zinc/27/77/52/398277752.db2.gz KIZMNIOQYRTPHR-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(C)c1 ZINC000530513222 342801465 /nfs/dbraw/zinc/80/14/65/342801465.db2.gz UFHHBSNIYUQHRO-CYBMUJFWSA-N 2 1 247.346 1.437 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCOC ZINC000045693759 538993394 /nfs/dbraw/zinc/99/33/94/538993394.db2.gz ZOJLZHHUFRNVMR-RYUDHWBXSA-N 2 1 216.369 1.731 20 0 BDADMP C/C=C\C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624199188 342842056 /nfs/dbraw/zinc/84/20/56/342842056.db2.gz IQIXAERSRJRIHA-SFAKSCPVSA-N 2 1 238.375 1.796 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632695 136241377 /nfs/dbraw/zinc/24/13/77/136241377.db2.gz IONBJLKQMMHLOA-STQMWFEESA-N 2 1 248.374 1.540 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632695 136241378 /nfs/dbraw/zinc/24/13/78/136241378.db2.gz IONBJLKQMMHLOA-STQMWFEESA-N 2 1 248.374 1.540 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632695 136241379 /nfs/dbraw/zinc/24/13/79/136241379.db2.gz IONBJLKQMMHLOA-STQMWFEESA-N 2 1 248.374 1.540 20 0 BDADMP C[N@H+](C[C@@H]1CCCCO1)[C@@H](C[NH3+])C1CC1 ZINC000042463667 362001347 /nfs/dbraw/zinc/00/13/47/362001347.db2.gz NOIWJAGNHPZIME-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)[C@@H](C[NH3+])C1CC1 ZINC000042463667 362001354 /nfs/dbraw/zinc/00/13/54/362001354.db2.gz NOIWJAGNHPZIME-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000625166752 342899067 /nfs/dbraw/zinc/89/90/67/342899067.db2.gz LHXUCVRXDONLTH-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2ccco2)CC1 ZINC000035121602 342882654 /nfs/dbraw/zinc/88/26/54/342882654.db2.gz VSJQDPPPZXLHMN-UHFFFAOYSA-N 2 1 208.305 1.506 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386046899 342905307 /nfs/dbraw/zinc/90/53/07/342905307.db2.gz UOBKQQRAOVDZPV-BFHYXJOUSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1cnccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401681004 342903629 /nfs/dbraw/zinc/90/36/29/342903629.db2.gz RSUNLMHNNZXADJ-UHFFFAOYSA-N 2 1 230.315 1.456 20 0 BDADMP Clc1cccc(CC[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000215905480 346877750 /nfs/dbraw/zinc/87/77/50/346877750.db2.gz ZAVFEAQJSNXYJK-GFCCVEGCSA-N 2 1 224.735 1.834 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](CCCc2ccccc2)CCCO1 ZINC000313352827 259333545 /nfs/dbraw/zinc/33/35/45/259333545.db2.gz LWIGFUZBCZFSPC-HNNXBMFYSA-N 2 1 248.370 1.669 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccccc2)CCCO1 ZINC000313352827 259333546 /nfs/dbraw/zinc/33/35/46/259333546.db2.gz LWIGFUZBCZFSPC-HNNXBMFYSA-N 2 1 248.370 1.669 20 0 BDADMP CCc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313357339 259333629 /nfs/dbraw/zinc/33/36/29/259333629.db2.gz RFIXIQXAQZVKSN-HNNXBMFYSA-N 2 1 248.370 1.799 20 0 BDADMP CCc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313357339 259333631 /nfs/dbraw/zinc/33/36/31/259333631.db2.gz RFIXIQXAQZVKSN-HNNXBMFYSA-N 2 1 248.370 1.799 20 0 BDADMP CC[C@@]1(O)CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000495260838 529573953 /nfs/dbraw/zinc/57/39/53/529573953.db2.gz HZFZFUUGRZVZRN-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@@]1(O)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000495260838 529573955 /nfs/dbraw/zinc/57/39/55/529573955.db2.gz HZFZFUUGRZVZRN-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@@]1(O)CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000495260838 529573958 /nfs/dbraw/zinc/57/39/58/529573958.db2.gz HZFZFUUGRZVZRN-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP CN(CC[C@H]1CCC[N@H+]1C)CC[NH+]1CCCC1 ZINC000162493297 349731055 /nfs/dbraw/zinc/73/10/55/349731055.db2.gz WFDCLULOELUPSX-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CCc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000562748088 323029562 /nfs/dbraw/zinc/02/95/62/323029562.db2.gz MNYOMQLRXVCESU-GDNZZTSVSA-N 2 1 222.357 1.618 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@@H+]2CCN(C)C[C@@H]2CN)C1 ZINC000122473888 343159343 /nfs/dbraw/zinc/15/93/43/343159343.db2.gz JNIYBUIECVTBHO-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@H+]2CCN(C)C[C@@H]2CN)C1 ZINC000122473888 343159345 /nfs/dbraw/zinc/15/93/45/343159345.db2.gz JNIYBUIECVTBHO-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP Cn1cc(C[N@H+](C)CCC[NH3+])c(C(C)(C)C)n1 ZINC000128288793 343174362 /nfs/dbraw/zinc/17/43/62/343174362.db2.gz WRBFKTAOBIJOLA-UHFFFAOYSA-N 2 1 238.379 1.498 20 0 BDADMP Cn1cc(C[N@@H+](C)CCC[NH3+])c(C(C)(C)C)n1 ZINC000128288793 343174364 /nfs/dbraw/zinc/17/43/64/343174364.db2.gz WRBFKTAOBIJOLA-UHFFFAOYSA-N 2 1 238.379 1.498 20 0 BDADMP Cc1ncsc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309207962 136274801 /nfs/dbraw/zinc/27/48/01/136274801.db2.gz QWCVMZHQPWABGO-BXKDBHETSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)nc1 ZINC000401755357 343218852 /nfs/dbraw/zinc/21/88/52/343218852.db2.gz QRQYOVPHNZAPFG-UHFFFAOYSA-N 2 1 230.315 1.456 20 0 BDADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122184382 136278042 /nfs/dbraw/zinc/27/80/42/136278042.db2.gz RWAIRJHDUJCTKK-MNOVXSKESA-N 2 1 214.353 1.484 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)O1 ZINC000634687972 343244764 /nfs/dbraw/zinc/24/47/64/343244764.db2.gz DYANPEMMQNLHTO-ZOLYEBIHSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+]2CC3CCC2(C[NH3+])CC3)O1 ZINC000634687866 343244793 /nfs/dbraw/zinc/24/47/93/343244793.db2.gz BMXCLWUDNCMBDQ-AHPWVWPOSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2CC3CCC2(C[NH3+])CC3)O1 ZINC000634687866 343244795 /nfs/dbraw/zinc/24/47/95/343244795.db2.gz BMXCLWUDNCMBDQ-AHPWVWPOSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)O1 ZINC000634688508 343248199 /nfs/dbraw/zinc/24/81/99/343248199.db2.gz VBFUBPYLCHSQQP-AAVRWANBSA-N 2 1 238.375 1.628 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069724597 343290096 /nfs/dbraw/zinc/29/00/96/343290096.db2.gz CJWZJWKVFHNYDL-TUAOUCFPSA-N 2 1 214.353 1.471 20 0 BDADMP CCOC(=O)CCCCC[N@H+](C)CC[NH3+] ZINC000070597355 343333903 /nfs/dbraw/zinc/33/39/03/343333903.db2.gz ZYCKCYCFCAGVOO-UHFFFAOYSA-N 2 1 216.325 1.000 20 0 BDADMP CCOC(=O)CCCCC[N@@H+](C)CC[NH3+] ZINC000070597355 343333905 /nfs/dbraw/zinc/33/39/05/343333905.db2.gz ZYCKCYCFCAGVOO-UHFFFAOYSA-N 2 1 216.325 1.000 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@H+](C)C1CC1 ZINC000070047392 343297573 /nfs/dbraw/zinc/29/75/73/343297573.db2.gz RICFNVOMTWIBKS-UHFFFAOYSA-N 2 1 205.305 1.896 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000220959134 343304829 /nfs/dbraw/zinc/30/48/29/343304829.db2.gz HXYUOFYHKYPEHS-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000335636021 136300745 /nfs/dbraw/zinc/30/07/45/136300745.db2.gz SYTYKEJGYILEHP-ZIAGYGMSSA-N 2 1 245.370 1.903 20 0 BDADMP C1CSC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000335643552 136303707 /nfs/dbraw/zinc/30/37/07/136303707.db2.gz PIFBTMCAPZSKOQ-MNOVXSKESA-N 2 1 214.378 1.614 20 0 BDADMP c1ccc2c(c1)CC[C@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000335651609 136305091 /nfs/dbraw/zinc/30/50/91/136305091.db2.gz XUOFBYDYPSVHPY-STQMWFEESA-N 2 1 216.328 1.668 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000166219337 136310061 /nfs/dbraw/zinc/31/00/61/136310061.db2.gz IHLNRMZRNTYSIZ-PSASIEDQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000166219337 136310062 /nfs/dbraw/zinc/31/00/62/136310062.db2.gz IHLNRMZRNTYSIZ-PSASIEDQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000166221543 136310317 /nfs/dbraw/zinc/31/03/17/136310317.db2.gz NCHNAJDICIPVKV-LDYMZIIASA-N 2 1 239.388 1.929 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166227904 136314024 /nfs/dbraw/zinc/31/40/24/136314024.db2.gz YUBOLZSXFJALAC-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000310203328 343381311 /nfs/dbraw/zinc/38/13/11/343381311.db2.gz CGWUOBNBIILCLB-XJFOESAGSA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000079014986 343398045 /nfs/dbraw/zinc/39/80/45/343398045.db2.gz VXDYQOGBMBFZCG-IJLUTSLNSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000079014986 343398046 /nfs/dbraw/zinc/39/80/46/343398046.db2.gz VXDYQOGBMBFZCG-IJLUTSLNSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000079014986 343398047 /nfs/dbraw/zinc/39/80/47/343398047.db2.gz VXDYQOGBMBFZCG-IJLUTSLNSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000079014986 343398048 /nfs/dbraw/zinc/39/80/48/343398048.db2.gz VXDYQOGBMBFZCG-IJLUTSLNSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccnn1C ZINC000335694641 136326484 /nfs/dbraw/zinc/32/64/84/136326484.db2.gz IZWZYQAAIFBKRS-AAEUAGOBSA-N 2 1 236.363 1.192 20 0 BDADMP C[C@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000082544839 343447100 /nfs/dbraw/zinc/44/71/00/343447100.db2.gz RRIWELIHBCUNAK-JQWIXIFHSA-N 2 1 212.337 1.082 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000335853765 136356003 /nfs/dbraw/zinc/35/60/03/136356003.db2.gz HBIBBQWUCYOYDF-GXTWGEPZSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000335853765 136356004 /nfs/dbraw/zinc/35/60/04/136356004.db2.gz HBIBBQWUCYOYDF-GXTWGEPZSA-N 2 1 238.375 1.365 20 0 BDADMP C[C@@H]1CCCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351605142 136370135 /nfs/dbraw/zinc/37/01/35/136370135.db2.gz NHVUNVRJRPTUPA-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351605142 136370136 /nfs/dbraw/zinc/37/01/36/136370136.db2.gz NHVUNVRJRPTUPA-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351605142 136370137 /nfs/dbraw/zinc/37/01/37/136370137.db2.gz NHVUNVRJRPTUPA-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351605142 136370138 /nfs/dbraw/zinc/37/01/38/136370138.db2.gz NHVUNVRJRPTUPA-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccn2)[C@@H](C)C1 ZINC000247980715 136373621 /nfs/dbraw/zinc/37/36/21/136373621.db2.gz MPLZFJZKKGQBPV-ZFWWWQNUSA-N 2 1 247.386 1.944 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400419623 529712232 /nfs/dbraw/zinc/71/22/32/529712232.db2.gz WKPXFHTVEWVPRO-KXNHARMFSA-N 2 1 214.353 1.266 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC)(CC)C1 ZINC000310526527 343524215 /nfs/dbraw/zinc/52/42/15/343524215.db2.gz NCPURZUEENZNCB-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)NCc1ccc(C[NH3+])cc1 ZINC000518770277 259365842 /nfs/dbraw/zinc/36/58/42/259365842.db2.gz OZUDMPIOVUDNLB-IUODEOHRSA-N 2 1 247.386 1.766 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC1(C)C)C1CC1 ZINC000381033877 343778765 /nfs/dbraw/zinc/77/87/65/343778765.db2.gz DVFHXIMUXRJKDQ-ZYHUDNBSSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC1(C)C)C1CC1 ZINC000381033877 343778766 /nfs/dbraw/zinc/77/87/66/343778766.db2.gz DVFHXIMUXRJKDQ-ZYHUDNBSSA-N 2 1 226.364 1.077 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccn1 ZINC000621775089 343898242 /nfs/dbraw/zinc/89/82/42/343898242.db2.gz FXCFZMPUZLEJBK-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000135087795 343932371 /nfs/dbraw/zinc/93/23/71/343932371.db2.gz CAXDQOZPOIJOLC-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000634732944 344108126 /nfs/dbraw/zinc/10/81/26/344108126.db2.gz SEAVHZFBJAJJEJ-LBPRGKRZSA-N 2 1 233.359 1.949 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000634733765 344113970 /nfs/dbraw/zinc/11/39/70/344113970.db2.gz NIPOSKNKZUIKFE-CHWSQXEVSA-N 2 1 239.407 1.496 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(C[NH3+])CC2)C1 ZINC000634733771 344114016 /nfs/dbraw/zinc/11/40/16/344114016.db2.gz NIZLNTRLINQFJS-LLVKDONJSA-N 3 1 225.380 1.093 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC000634734139 344114549 /nfs/dbraw/zinc/11/45/49/344114549.db2.gz XXOKYEHPVJMEEP-OCCSQVGLSA-N 3 1 239.407 1.354 20 0 BDADMP OCc1ccnc(N[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000641316311 362361450 /nfs/dbraw/zinc/36/14/50/362361450.db2.gz QOMYLKYHPCXQEE-NSHDSACASA-N 2 1 244.298 1.197 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000093210548 344312196 /nfs/dbraw/zinc/31/21/96/344312196.db2.gz HQHPCNWMXYSCBI-QWRGUYRKSA-N 2 1 245.330 1.089 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000385065842 344313934 /nfs/dbraw/zinc/31/39/34/344313934.db2.gz VJUYCTXCIKHMJH-TZMCWYRMSA-N 2 1 233.359 1.807 20 0 BDADMP COCC[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133298082 344316632 /nfs/dbraw/zinc/31/66/32/344316632.db2.gz CNELLXXHFDQRMY-RYUDHWBXSA-N 2 1 216.369 1.717 20 0 BDADMP COC(=O)CCCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000600704018 344359721 /nfs/dbraw/zinc/35/97/21/344359721.db2.gz NVNSVLUISNCVRU-LBPRGKRZSA-N 2 1 228.336 1.047 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCC(=O)OC)CC[C@H]1[NH3+] ZINC000600709272 344360969 /nfs/dbraw/zinc/36/09/69/344360969.db2.gz IBDBCZHFLRJOPW-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP COC(=O)CCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000600712291 344361786 /nfs/dbraw/zinc/36/17/86/344361786.db2.gz WIEBZHZTBBTWHT-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000600712291 344361787 /nfs/dbraw/zinc/36/17/87/344361787.db2.gz WIEBZHZTBBTWHT-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000600711822 344361790 /nfs/dbraw/zinc/36/17/90/344361790.db2.gz SQHRRBBENYDYAW-GFCCVEGCSA-N 2 1 228.336 1.000 20 0 BDADMP C[C@@H](C1CC1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000381261224 344490714 /nfs/dbraw/zinc/49/07/14/344490714.db2.gz RWQZBJKRNISTHR-GWCFXTLKSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000381261224 344490716 /nfs/dbraw/zinc/49/07/16/344490716.db2.gz RWQZBJKRNISTHR-GWCFXTLKSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H](C1CC1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000381261224 344490718 /nfs/dbraw/zinc/49/07/18/344490718.db2.gz RWQZBJKRNISTHR-GWCFXTLKSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H](C1CC1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381261224 344490721 /nfs/dbraw/zinc/49/07/21/344490721.db2.gz RWQZBJKRNISTHR-GWCFXTLKSA-N 2 1 226.364 1.172 20 0 BDADMP C[N@@H+](CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000037482548 344508882 /nfs/dbraw/zinc/50/88/82/344508882.db2.gz OAGPRIRALNMWFN-UHFFFAOYSA-N 2 1 225.380 1.156 20 0 BDADMP Cn1cncc1CCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000577504975 344533710 /nfs/dbraw/zinc/53/37/10/344533710.db2.gz AAOMFXDGBUZTHE-UONOGXRCSA-N 2 1 249.358 1.606 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000577504975 344533713 /nfs/dbraw/zinc/53/37/13/344533713.db2.gz AAOMFXDGBUZTHE-UONOGXRCSA-N 2 1 249.358 1.606 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000336777842 537847820 /nfs/dbraw/zinc/84/78/20/537847820.db2.gz JRDFILJSTNYRNB-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccnc1 ZINC000049551900 344652966 /nfs/dbraw/zinc/65/29/66/344652966.db2.gz HXVLTVMUGVUGHL-LLVKDONJSA-N 2 1 207.321 1.511 20 0 BDADMP [NH3+][C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000050227976 344660208 /nfs/dbraw/zinc/66/02/08/344660208.db2.gz UYCYGECWSULEDD-LSDHHAIUSA-N 2 1 245.370 1.294 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046124 344695182 /nfs/dbraw/zinc/69/51/82/344695182.db2.gz QPFPKPVUEIMWIU-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046124 344695184 /nfs/dbraw/zinc/69/51/84/344695184.db2.gz QPFPKPVUEIMWIU-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046124 344695186 /nfs/dbraw/zinc/69/51/86/344695186.db2.gz QPFPKPVUEIMWIU-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)n1nccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000394597872 259380701 /nfs/dbraw/zinc/38/07/01/259380701.db2.gz JJKCCAMLALJVQT-GFCCVEGCSA-N 2 1 238.379 1.751 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC2CCC2)C1 ZINC000639761119 537866216 /nfs/dbraw/zinc/86/62/16/537866216.db2.gz DGWWWZMPYDSTGW-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000574452556 344855011 /nfs/dbraw/zinc/85/50/11/344855011.db2.gz BVKAQDBITDJGSD-WCQYABFASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156008809 345117416 /nfs/dbraw/zinc/11/74/16/345117416.db2.gz JRWQOLWWUOKJTH-MGPQQGTHSA-N 2 1 248.374 1.488 20 0 BDADMP Cc1ccccc1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995357 345184429 /nfs/dbraw/zinc/18/44/29/345184429.db2.gz BOJZKGRVSXWXEJ-UHFFFAOYSA-N 2 1 230.355 1.879 20 0 BDADMP Fc1ccc(CC[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000634995932 345185821 /nfs/dbraw/zinc/18/58/21/345185821.db2.gz ULONWTJUEFMZOZ-UHFFFAOYSA-N 2 1 234.318 1.710 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000634996894 345186707 /nfs/dbraw/zinc/18/67/07/345186707.db2.gz XULOBXYFYQVZMT-RDBSUJKOSA-N 3 1 239.407 1.278 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156146232 345128118 /nfs/dbraw/zinc/12/81/18/345128118.db2.gz LRJTWZTUJXHHKO-XQQFMLRXSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CC[N@H+]1C ZINC000156172451 345131446 /nfs/dbraw/zinc/13/14/46/345131446.db2.gz SGWHYFWEQYNJHH-QWHCGFSZSA-N 3 1 227.396 1.401 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCN1C ZINC000156172451 345131449 /nfs/dbraw/zinc/13/14/49/345131449.db2.gz SGWHYFWEQYNJHH-QWHCGFSZSA-N 2 1 227.396 1.401 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC12CC(C1)CN2 ZINC000634994075 345192538 /nfs/dbraw/zinc/19/25/38/345192538.db2.gz PTGZJMYIBNELDS-CQLXCSJHSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC12CC(C1)CN2 ZINC000634994075 345192541 /nfs/dbraw/zinc/19/25/41/345192541.db2.gz PTGZJMYIBNELDS-CQLXCSJHSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000634997047 345193862 /nfs/dbraw/zinc/19/38/62/345193862.db2.gz BQYQPFLMNWUMCI-LLVKDONJSA-N 2 1 236.363 1.389 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCCc2n[nH]cc2C1 ZINC000634997047 345193864 /nfs/dbraw/zinc/19/38/64/345193864.db2.gz BQYQPFLMNWUMCI-LLVKDONJSA-N 2 1 236.363 1.389 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634997145 345194043 /nfs/dbraw/zinc/19/40/43/345194043.db2.gz DXVGHKZBRYWQGF-MELADBBJSA-N 3 1 239.407 1.149 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634997145 345194045 /nfs/dbraw/zinc/19/40/45/345194045.db2.gz DXVGHKZBRYWQGF-MELADBBJSA-N 3 1 239.407 1.149 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@H]1C[NH3+] ZINC000635000293 345201934 /nfs/dbraw/zinc/20/19/34/345201934.db2.gz LGBLKPJHGLVGLX-CMPLNLGQSA-N 2 1 248.326 1.442 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@H]1C[NH3+] ZINC000635000296 345202070 /nfs/dbraw/zinc/20/20/70/345202070.db2.gz LGBLKPJHGLVGLX-ZYHUDNBSSA-N 2 1 248.326 1.442 20 0 BDADMP CC(C)(F)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000635002966 345205365 /nfs/dbraw/zinc/20/53/65/345205365.db2.gz CLAVCRIJHBFHRG-ZJUUUORDSA-N 2 1 202.317 1.984 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1c[nH+]ccc1N ZINC000635005462 345209221 /nfs/dbraw/zinc/20/92/21/345209221.db2.gz NQCLSHMAQDKQTI-QYTUQVAYSA-N 2 1 235.331 1.711 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCCCN1 ZINC000635005876 345210014 /nfs/dbraw/zinc/21/00/14/345210014.db2.gz PSVDRQRLRNHGAG-XUXIUFHCSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccncn1 ZINC000635013512 345218204 /nfs/dbraw/zinc/21/82/04/345218204.db2.gz YVHQEAKHBDNMAE-NWDGAFQWSA-N 2 1 248.374 1.905 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)O1 ZINC000397477220 345353788 /nfs/dbraw/zinc/35/37/88/345353788.db2.gz IEYINBGWWCEONU-XGFWRYKXSA-N 2 1 240.391 1.859 20 0 BDADMP Cc1cnccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635535311 345487284 /nfs/dbraw/zinc/48/72/84/345487284.db2.gz MBIXPDKRCLZPMJ-UHFFFAOYSA-N 2 1 249.358 1.728 20 0 BDADMP CCC[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000090175195 345572258 /nfs/dbraw/zinc/57/22/58/345572258.db2.gz DBMBQZYOJQXQEE-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223024735 535005066 /nfs/dbraw/zinc/00/50/66/535005066.db2.gz SWPBKKKDAUYUAN-QWHCGFSZSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000250491761 535010590 /nfs/dbraw/zinc/01/05/90/535010590.db2.gz HHZSKLWNHDFVEZ-KBPBESRZSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250491761 535010594 /nfs/dbraw/zinc/01/05/94/535010594.db2.gz HHZSKLWNHDFVEZ-KBPBESRZSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250491761 535010603 /nfs/dbraw/zinc/01/06/03/535010603.db2.gz HHZSKLWNHDFVEZ-KBPBESRZSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216727 535010650 /nfs/dbraw/zinc/01/06/50/535010650.db2.gz HEMRIYBLRMTAMZ-CHWSQXEVSA-N 2 1 227.396 1.434 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408973 345927844 /nfs/dbraw/zinc/92/78/44/345927844.db2.gz WMABSQNIQCQQLA-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408973 345927846 /nfs/dbraw/zinc/92/78/46/345927846.db2.gz WMABSQNIQCQQLA-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408973 345927849 /nfs/dbraw/zinc/92/78/49/345927849.db2.gz WMABSQNIQCQQLA-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000381474371 346024914 /nfs/dbraw/zinc/02/49/14/346024914.db2.gz NQPPLSCHZVCXIA-AGIUHOORSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000381474371 346024918 /nfs/dbraw/zinc/02/49/18/346024918.db2.gz NQPPLSCHZVCXIA-AGIUHOORSA-N 2 1 228.380 1.730 20 0 BDADMP Cc1nc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)[nH]c1C ZINC000628240546 346202615 /nfs/dbraw/zinc/20/26/15/346202615.db2.gz JJEHKQCIBNUJSQ-VHSXEESVSA-N 2 1 236.363 1.551 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)CC1(C)C ZINC000628241067 346203815 /nfs/dbraw/zinc/20/38/15/346203815.db2.gz HHBUMOXYGGLKED-CPCZMJQVSA-N 2 1 240.391 1.752 20 0 BDADMP Cc1c[nH]c(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000628280777 346291803 /nfs/dbraw/zinc/29/18/03/346291803.db2.gz HLQBPILMJQYUCU-JQWIXIFHSA-N 2 1 236.363 1.490 20 0 BDADMP Cc1ncc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000628280702 346291873 /nfs/dbraw/zinc/29/18/73/346291873.db2.gz CQPFNVPLFQEDOO-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000628280702 346291877 /nfs/dbraw/zinc/29/18/77/346291877.db2.gz CQPFNVPLFQEDOO-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000628280702 346291881 /nfs/dbraw/zinc/29/18/81/346291881.db2.gz CQPFNVPLFQEDOO-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000628280702 346291884 /nfs/dbraw/zinc/29/18/84/346291884.db2.gz CQPFNVPLFQEDOO-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000628280702 346291885 /nfs/dbraw/zinc/29/18/85/346291885.db2.gz CQPFNVPLFQEDOO-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cccc(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358158966 179037034 /nfs/dbraw/zinc/03/70/34/179037034.db2.gz IPCYCTVELHTRRS-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1cccc(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358158966 179037035 /nfs/dbraw/zinc/03/70/35/179037035.db2.gz IPCYCTVELHTRRS-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP Cn1cncc1CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000641798179 362743109 /nfs/dbraw/zinc/74/31/09/362743109.db2.gz IJIHCVPCCAWXTK-GFCCVEGCSA-N 2 1 236.363 1.166 20 0 BDADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000419200959 192103214 /nfs/dbraw/zinc/10/32/14/192103214.db2.gz FCMFTEBRAKELNH-KGLIPLIRSA-N 2 1 242.407 1.931 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000187469007 346578410 /nfs/dbraw/zinc/57/84/10/346578410.db2.gz HIODOOAIRIBOFF-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000187469007 346578411 /nfs/dbraw/zinc/57/84/11/346578411.db2.gz HIODOOAIRIBOFF-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000187469007 346578414 /nfs/dbraw/zinc/57/84/14/346578414.db2.gz HIODOOAIRIBOFF-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP Cc1cccc(N2C[C@@H](C[NH3+])C[C@H]2C)[nH+]1 ZINC000228083762 179123401 /nfs/dbraw/zinc/12/34/01/179123401.db2.gz LWAPMWPICMEGSF-GHMZBOCLSA-N 2 1 205.305 1.564 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)COC ZINC000187808206 346617558 /nfs/dbraw/zinc/61/75/58/346617558.db2.gz WSSMOZHGNCENAX-VXGBXAGGSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)COC ZINC000187808206 346617560 /nfs/dbraw/zinc/61/75/60/346617560.db2.gz WSSMOZHGNCENAX-VXGBXAGGSA-N 2 1 216.369 1.589 20 0 BDADMP C(=C/c1ccccc1)\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579108 187372335 /nfs/dbraw/zinc/37/23/35/187372335.db2.gz BVOPXUCMTLNRSJ-ORBRRYQHSA-N 2 1 228.339 1.851 20 0 BDADMP C(=C/c1ccccc1)\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579108 187372336 /nfs/dbraw/zinc/37/23/36/187372336.db2.gz BVOPXUCMTLNRSJ-ORBRRYQHSA-N 2 1 228.339 1.851 20 0 BDADMP CCSCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334915 347227904 /nfs/dbraw/zinc/22/79/04/347227904.db2.gz ONRFIUSZZJFEGQ-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CCSCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334915 347227909 /nfs/dbraw/zinc/22/79/09/347227909.db2.gz ONRFIUSZZJFEGQ-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000300943334 347285648 /nfs/dbraw/zinc/28/56/48/347285648.db2.gz GLIYFPBSLLJYOE-LLVKDONJSA-N 2 1 228.380 1.874 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC1(CO)CC1 ZINC000191894619 347362371 /nfs/dbraw/zinc/36/23/71/347362371.db2.gz SOZDYTCRCRDWIU-UHFFFAOYSA-N 2 1 228.380 1.423 20 0 BDADMP [NH3+]Cc1noc([C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000577220432 365888309 /nfs/dbraw/zinc/88/83/09/365888309.db2.gz GUZXWXQAPAKDAS-YIZRAAEISA-N 2 1 222.292 1.122 20 0 BDADMP CC[NH2+]CC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414658828 323151056 /nfs/dbraw/zinc/15/10/56/323151056.db2.gz KBADKYFLDBRZBC-CQSZACIVSA-N 3 1 241.423 1.681 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414983346 323152382 /nfs/dbraw/zinc/15/23/82/323152382.db2.gz TUFREAYMMBAJQW-LBPRGKRZSA-N 2 1 235.331 1.472 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@H]1CCCOC1 ZINC000082544747 347795671 /nfs/dbraw/zinc/79/56/71/347795671.db2.gz ODILVNLIPGOXSN-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCCOCC1 ZINC000368731006 187384707 /nfs/dbraw/zinc/38/47/07/187384707.db2.gz BDZXFOBERGCOJC-UHFFFAOYSA-N 2 1 226.364 1.585 20 0 BDADMP C(C[NH+]1CCCCC1)C[N@H+]1CCCOCC1 ZINC000368731006 187384708 /nfs/dbraw/zinc/38/47/08/187384708.db2.gz BDZXFOBERGCOJC-UHFFFAOYSA-N 2 1 226.364 1.585 20 0 BDADMP CC(C)OC(=O)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)C ZINC000594583537 348077073 /nfs/dbraw/zinc/07/70/73/348077073.db2.gz UMJAXXLWHBIQFL-VXGBXAGGSA-N 2 1 242.363 1.304 20 0 BDADMP C([C@@H]1CCCO1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000120669866 187385575 /nfs/dbraw/zinc/38/55/75/187385575.db2.gz ZUNCLPJQRPTIQO-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308710377 348101595 /nfs/dbraw/zinc/10/15/95/348101595.db2.gz NHRJWLLRJLWZEZ-MGPQQGTHSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C(=O)OC ZINC000419302244 192120103 /nfs/dbraw/zinc/12/01/03/192120103.db2.gz POFIJVRQYJCCTP-LBPRGKRZSA-N 2 1 242.363 1.402 20 0 BDADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(=O)OC ZINC000419302244 192120104 /nfs/dbraw/zinc/12/01/04/192120104.db2.gz POFIJVRQYJCCTP-LBPRGKRZSA-N 2 1 242.363 1.402 20 0 BDADMP CC[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000419288404 192117993 /nfs/dbraw/zinc/11/79/93/192117993.db2.gz PNFQDAUKDOYBKZ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OC ZINC000419288404 192117995 /nfs/dbraw/zinc/11/79/95/192117995.db2.gz PNFQDAUKDOYBKZ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)OC ZINC000419288404 192117996 /nfs/dbraw/zinc/11/79/96/192117996.db2.gz PNFQDAUKDOYBKZ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000251509080 362883506 /nfs/dbraw/zinc/88/35/06/362883506.db2.gz IGJHLVAFQFHWMU-YNEHKIRRSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC000251509080 362883511 /nfs/dbraw/zinc/88/35/11/362883511.db2.gz IGJHLVAFQFHWMU-YNEHKIRRSA-N 2 1 226.364 1.757 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395137301 323188805 /nfs/dbraw/zinc/18/88/05/323188805.db2.gz SOIKNQAOQPQBGK-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP Cc1cnc(C[N@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000075738492 348876120 /nfs/dbraw/zinc/87/61/20/348876120.db2.gz JOLJKMGMHQPIIX-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000075738492 348876124 /nfs/dbraw/zinc/87/61/24/348876124.db2.gz JOLJKMGMHQPIIX-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000253110352 349224162 /nfs/dbraw/zinc/22/41/62/349224162.db2.gz GDFAZGAUGUMLHW-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCOC1 ZINC000252109825 349196795 /nfs/dbraw/zinc/19/67/95/349196795.db2.gz JKKMCGOAWBBARK-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CO1 ZINC000402064095 349288973 /nfs/dbraw/zinc/28/89/73/349288973.db2.gz VMEFTOBJIZPZBJ-QOBDMFJFSA-N 2 1 232.327 1.898 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCSC)[C@@H](C)C1 ZINC000221754132 349290040 /nfs/dbraw/zinc/29/00/40/349290040.db2.gz KWWOFWUPDSJOMM-QWRGUYRKSA-N 2 1 216.394 1.669 20 0 BDADMP C[C@H](CF)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526001 362945644 /nfs/dbraw/zinc/94/56/44/362945644.db2.gz GMLSLHNYGSHWLM-NXEZZACHSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@H](CF)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623526001 362945646 /nfs/dbraw/zinc/94/56/46/362945646.db2.gz GMLSLHNYGSHWLM-NXEZZACHSA-N 2 1 202.317 1.807 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309061720 349428244 /nfs/dbraw/zinc/42/82/44/349428244.db2.gz XAZJUHVDBRAELT-WISYIIOYSA-N 2 1 212.337 1.236 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309061720 349428247 /nfs/dbraw/zinc/42/82/47/349428247.db2.gz XAZJUHVDBRAELT-WISYIIOYSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)CC[N@H+]1C ZINC000132835895 191035732 /nfs/dbraw/zinc/03/57/32/191035732.db2.gz LOOBJBFPGJOIDU-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP Cc1ncc(C[NH2+]CCn2cc[nH+]c2C)s1 ZINC000049330354 180152837 /nfs/dbraw/zinc/15/28/37/180152837.db2.gz STLIHWBBXWBAJO-UHFFFAOYSA-N 2 1 236.344 1.746 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](COC)C(C)C)CC1 ZINC000083397883 350195271 /nfs/dbraw/zinc/19/52/71/350195271.db2.gz LBKPWIGGIIAIIM-ZDUSSCGKSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1cccc(NCC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000358389331 191069558 /nfs/dbraw/zinc/06/95/58/191069558.db2.gz CXBCXVSHYAQPLF-UHFFFAOYSA-N 2 1 248.374 1.486 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000122328199 180146734 /nfs/dbraw/zinc/14/67/34/180146734.db2.gz CSDMFMUZWMTKSO-WPRPVWTQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000049538852 180151317 /nfs/dbraw/zinc/15/13/17/180151317.db2.gz VKKOHOUYXKOUFW-SNVBAGLBSA-N 2 1 225.361 1.541 20 0 BDADMP Cc1nccc(NC[C@H]2CC[N@H+](C)C2)n1 ZINC000054935904 180200905 /nfs/dbraw/zinc/20/09/05/180200905.db2.gz YMGBBMZDRHZHEJ-SNVBAGLBSA-N 2 1 206.293 1.149 20 0 BDADMP Cc1nccc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000054936348 180201665 /nfs/dbraw/zinc/20/16/65/180201665.db2.gz LIRGBAQTWBDHRP-LLVKDONJSA-N 2 1 220.320 1.539 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310424710 180221312 /nfs/dbraw/zinc/22/13/12/180221312.db2.gz LRMJZCVXUBJKHF-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000305153021 180232033 /nfs/dbraw/zinc/23/20/33/180232033.db2.gz AYQQJPJSUPSTTD-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](O)C1 ZINC000305153021 180232034 /nfs/dbraw/zinc/23/20/34/180232034.db2.gz AYQQJPJSUPSTTD-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)C1CC1 ZINC000305153847 180232398 /nfs/dbraw/zinc/23/23/98/180232398.db2.gz BHXKDPYIAXLZSF-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)C1CC1 ZINC000305153847 180232401 /nfs/dbraw/zinc/23/24/01/180232401.db2.gz BHXKDPYIAXLZSF-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOCC2(CC2)C1 ZINC000360082882 180238927 /nfs/dbraw/zinc/23/89/27/180238927.db2.gz BDYSUDHZGVBTEP-UHFFFAOYSA-N 2 1 249.358 1.694 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCOCC2(CC2)C1 ZINC000360082882 180238928 /nfs/dbraw/zinc/23/89/28/180238928.db2.gz BDYSUDHZGVBTEP-UHFFFAOYSA-N 2 1 249.358 1.694 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CCOCC12CCCC2 ZINC000334539186 180254769 /nfs/dbraw/zinc/25/47/69/180254769.db2.gz JREXBMPWTZBDGH-UHFFFAOYSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CCOCC12CCCC2 ZINC000334539186 180254771 /nfs/dbraw/zinc/25/47/71/180254771.db2.gz JREXBMPWTZBDGH-UHFFFAOYSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@H]1C ZINC000293401696 180242250 /nfs/dbraw/zinc/24/22/50/180242250.db2.gz LPFLOEKTGWEYMC-GHMZBOCLSA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293401696 180242254 /nfs/dbraw/zinc/24/22/54/180242254.db2.gz LPFLOEKTGWEYMC-GHMZBOCLSA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@@H](C)C1 ZINC000360604179 180242693 /nfs/dbraw/zinc/24/26/93/180242693.db2.gz JJDVZNAYXHPZKB-LBPRGKRZSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@@H](C)C1 ZINC000360604179 180242695 /nfs/dbraw/zinc/24/26/95/180242695.db2.gz JJDVZNAYXHPZKB-LBPRGKRZSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362087263 180242731 /nfs/dbraw/zinc/24/27/31/180242731.db2.gz LZGAEAIMVDQZAT-AAEUAGOBSA-N 2 1 237.347 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362087263 180242733 /nfs/dbraw/zinc/24/27/33/180242733.db2.gz LZGAEAIMVDQZAT-AAEUAGOBSA-N 2 1 237.347 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000338014298 180245385 /nfs/dbraw/zinc/24/53/85/180245385.db2.gz FXJXPEFNAPCLDS-WCQYABFASA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CC1=CCCOC1 ZINC000269291738 180260988 /nfs/dbraw/zinc/26/09/88/180260988.db2.gz OIXXDXYSRDGMFF-UHFFFAOYSA-N 2 1 221.304 1.128 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc[nH]c1 ZINC000086252877 180264491 /nfs/dbraw/zinc/26/44/91/180264491.db2.gz WWGLQKHMEHOURK-NSHDSACASA-N 2 1 232.331 1.946 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000037977222 350297782 /nfs/dbraw/zinc/29/77/82/350297782.db2.gz PVIXZEWCJQBAPA-UHFFFAOYSA-N 2 1 228.405 1.956 20 0 BDADMP Cc1ncsc1CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228079809 180308434 /nfs/dbraw/zinc/30/84/34/180308434.db2.gz SXLOFNQZYGEJKN-KOLCDFICSA-N 2 1 239.388 1.663 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000309253542 323332984 /nfs/dbraw/zinc/33/29/84/323332984.db2.gz NRQDEHOMIAYHDP-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000070838290 180320716 /nfs/dbraw/zinc/32/07/16/180320716.db2.gz KXRVKQLMOJOZMH-LBPRGKRZSA-N 2 1 239.388 1.931 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000069889610 350431199 /nfs/dbraw/zinc/43/11/99/350431199.db2.gz GSYLASQMULOPOM-DGCLKSJQSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538153 362956793 /nfs/dbraw/zinc/95/67/93/362956793.db2.gz YYPKGFFJDMGUQB-OLZOCXBDSA-N 2 1 242.407 2.000 20 0 BDADMP Cc1nn(C)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000128276494 180372119 /nfs/dbraw/zinc/37/21/19/180372119.db2.gz YQLPJMVPOXXRHZ-UHFFFAOYSA-N 2 1 224.352 1.145 20 0 BDADMP Cc1nn(C)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000128276494 180372122 /nfs/dbraw/zinc/37/21/22/180372122.db2.gz YQLPJMVPOXXRHZ-UHFFFAOYSA-N 2 1 224.352 1.145 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)O)CC1 ZINC000384719194 350491180 /nfs/dbraw/zinc/49/11/80/350491180.db2.gz GSDLHNRYLIEOQC-LLVKDONJSA-N 2 1 228.380 1.610 20 0 BDADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCOCC1 ZINC000335253937 538093401 /nfs/dbraw/zinc/09/34/01/538093401.db2.gz FDIJSPKDCZVLAD-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCOCC1 ZINC000335253937 538093406 /nfs/dbraw/zinc/09/34/06/538093406.db2.gz FDIJSPKDCZVLAD-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCOCC1 ZINC000335253937 538093410 /nfs/dbraw/zinc/09/34/10/538093410.db2.gz FDIJSPKDCZVLAD-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCOCC1 ZINC000335253937 538093412 /nfs/dbraw/zinc/09/34/12/538093412.db2.gz FDIJSPKDCZVLAD-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@H+](CC[NH2+]CC1(C)COC1)C1CCCC1 ZINC000070617545 350551001 /nfs/dbraw/zinc/55/10/01/350551001.db2.gz RSVLKRCEUKAVCM-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](CC[NH2+]CC1(C)COC1)C1CCCC1 ZINC000070617545 350551002 /nfs/dbraw/zinc/55/10/02/350551002.db2.gz RSVLKRCEUKAVCM-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2ccncc2C)CC1 ZINC000229660584 350583473 /nfs/dbraw/zinc/58/34/73/350583473.db2.gz FSYFRRDTJLVHMG-UHFFFAOYSA-N 2 1 233.359 1.964 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C)O2)CC[C@H]1[NH3+] ZINC000251865285 362972244 /nfs/dbraw/zinc/97/22/44/362972244.db2.gz TZBXVQJDUAHLEG-FVCCEPFGSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000261924112 535146530 /nfs/dbraw/zinc/14/65/30/535146530.db2.gz KVNUDUZBKXXIQD-GFCCVEGCSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000261924112 535146532 /nfs/dbraw/zinc/14/65/32/535146532.db2.gz KVNUDUZBKXXIQD-GFCCVEGCSA-N 2 1 236.363 1.635 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336684311 350920345 /nfs/dbraw/zinc/92/03/45/350920345.db2.gz FAALJTOTVAJJAB-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000336684311 350920347 /nfs/dbraw/zinc/92/03/47/350920347.db2.gz FAALJTOTVAJJAB-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000336684311 350920352 /nfs/dbraw/zinc/92/03/52/350920352.db2.gz FAALJTOTVAJJAB-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250563175 350882106 /nfs/dbraw/zinc/88/21/06/350882106.db2.gz CVVQDPHRRJZZGI-ZJUUUORDSA-N 2 1 200.351 1.033 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000216272963 351040309 /nfs/dbraw/zinc/04/03/09/351040309.db2.gz NMHDNAVRAATBSO-VXGBXAGGSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000216272963 351040312 /nfs/dbraw/zinc/04/03/12/351040312.db2.gz NMHDNAVRAATBSO-VXGBXAGGSA-N 2 1 219.332 1.702 20 0 BDADMP CCc1cc(NCC[N@@H+](C)C(C)C)ncn1 ZINC000054128181 351290438 /nfs/dbraw/zinc/29/04/38/351290438.db2.gz ZEGBIEJWNBKEJV-UHFFFAOYSA-N 2 1 222.336 1.791 20 0 BDADMP C[C@@H](O)C1([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000628351369 351313366 /nfs/dbraw/zinc/31/33/66/351313366.db2.gz CSYNVZDVLOOOEC-MNOVXSKESA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H](O)C1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000628351369 351313370 /nfs/dbraw/zinc/31/33/70/351313370.db2.gz CSYNVZDVLOOOEC-MNOVXSKESA-N 2 1 226.364 1.362 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000224480101 535162472 /nfs/dbraw/zinc/16/24/72/535162472.db2.gz WUYASHPPCXFPIA-JTQLQIEISA-N 2 1 236.306 1.075 20 0 BDADMP C[N@H+](Cc1ccc(=O)[nH]c1)CC1CC[NH+](C)CC1 ZINC000638029886 351910717 /nfs/dbraw/zinc/91/07/17/351910717.db2.gz XDOLYSSIXDSXRT-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP CC(C)C1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000638186444 352051289 /nfs/dbraw/zinc/05/12/89/352051289.db2.gz UBRMQBKQWIFBMN-TXEJJXNPSA-N 2 1 208.349 1.574 20 0 BDADMP C[NH+]1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638305126 352135750 /nfs/dbraw/zinc/13/57/50/352135750.db2.gz ZPUKEBCATDXQMA-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C(C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C[C@H]1CCO1 ZINC000638360156 352171015 /nfs/dbraw/zinc/17/10/15/352171015.db2.gz TXJUTENOUKXDMS-JSGCOSHPSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638381345 352193004 /nfs/dbraw/zinc/19/30/04/352193004.db2.gz KIVSWSOQXXBNDO-IYXRBSQSSA-N 2 1 248.374 1.518 20 0 BDADMP CCc1nc(C)cc(NCC[N@H+](C)CC)n1 ZINC000288211842 352143099 /nfs/dbraw/zinc/14/30/99/352143099.db2.gz CIJYOUZIECJWAQ-UHFFFAOYSA-N 2 1 222.336 1.711 20 0 BDADMP CCc1nc(NCC[N@@H+](C)CC)cc(C)[nH+]1 ZINC000288211842 352143102 /nfs/dbraw/zinc/14/31/02/352143102.db2.gz CIJYOUZIECJWAQ-UHFFFAOYSA-N 2 1 222.336 1.711 20 0 BDADMP CCc1nc(NCC[N@H+](C)CC)cc(C)[nH+]1 ZINC000288211842 352143104 /nfs/dbraw/zinc/14/31/04/352143104.db2.gz CIJYOUZIECJWAQ-UHFFFAOYSA-N 2 1 222.336 1.711 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261536986 535176657 /nfs/dbraw/zinc/17/66/57/535176657.db2.gz ULLLLBHXCBDGJH-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562893 535176771 /nfs/dbraw/zinc/17/67/71/535176771.db2.gz BRVOHKKFARMCFP-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562893 535176774 /nfs/dbraw/zinc/17/67/74/535176774.db2.gz BRVOHKKFARMCFP-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000414947067 352370697 /nfs/dbraw/zinc/37/06/97/352370697.db2.gz UITGRHJMEJWJGT-WCQYABFASA-N 2 1 206.333 1.945 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000638589373 352420922 /nfs/dbraw/zinc/42/09/22/352420922.db2.gz TVOPCWFJASOHMK-OLZOCXBDSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694301 352603973 /nfs/dbraw/zinc/60/39/73/352603973.db2.gz BWVYUILMSCUBKT-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](CCc1ccncc1)C[C@@H]1CCC[NH2+]C1 ZINC000041261878 352605425 /nfs/dbraw/zinc/60/54/25/352605425.db2.gz BVAKBFHEZGCWMT-CQSZACIVSA-N 2 1 233.359 1.556 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300367972 352560629 /nfs/dbraw/zinc/56/06/29/352560629.db2.gz ONCRVRJGTWQCBW-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP CCCN(CC)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300367972 352560633 /nfs/dbraw/zinc/56/06/33/352560633.db2.gz ONCRVRJGTWQCBW-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000042464370 352622599 /nfs/dbraw/zinc/62/25/99/352622599.db2.gz IGOSXRJGGIUWSJ-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CCc1nc(NC[C@@H](C2CC2)[NH+](C)C)cc(C)[nH+]1 ZINC000342009172 352735569 /nfs/dbraw/zinc/73/55/69/352735569.db2.gz OAEIDRPEPRLULR-LBPRGKRZSA-N 2 1 248.374 1.521 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(Cc2cncn2C)C[C@H]1C ZINC000334198475 352790763 /nfs/dbraw/zinc/79/07/63/352790763.db2.gz LQBJYLXBDGWCJQ-VXGBXAGGSA-N 2 1 236.363 1.335 20 0 BDADMP CC(C)(c1nc(C[NH3+])no1)[C@H]([NH3+])c1ccccc1 ZINC000577848857 366084461 /nfs/dbraw/zinc/08/44/61/366084461.db2.gz JRMPQOPHWSIRKY-LLVKDONJSA-N 2 1 246.314 1.506 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638838320 353023291 /nfs/dbraw/zinc/02/32/91/353023291.db2.gz GCSQXMQQXRNSSI-CYBMUJFWSA-N 2 1 224.348 1.407 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127726794 188084832 /nfs/dbraw/zinc/08/48/32/188084832.db2.gz LJVZVUQDZNIGEK-XQQFMLRXSA-N 2 1 224.348 1.382 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CC1CC1 ZINC000069665464 188111943 /nfs/dbraw/zinc/11/19/43/188111943.db2.gz YFVLINBMVXBLMI-JTQLQIEISA-N 2 1 207.321 1.970 20 0 BDADMP COc1ccc([C@@H](C)[NH2+]CCC[NH3+])c(F)c1 ZINC000037713770 188161712 /nfs/dbraw/zinc/16/17/12/188161712.db2.gz MOEQXRXXWPJSBP-SECBINFHSA-N 2 1 226.295 1.834 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000308995542 188166331 /nfs/dbraw/zinc/16/63/31/188166331.db2.gz PKKIRYLIWSNUPT-HOSYDEDBSA-N 2 1 207.321 1.826 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000309188853 188166947 /nfs/dbraw/zinc/16/69/47/188166947.db2.gz BWKURIZWCQXTPH-STQMWFEESA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000309188853 188166949 /nfs/dbraw/zinc/16/69/49/188166949.db2.gz BWKURIZWCQXTPH-STQMWFEESA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336668203 188181480 /nfs/dbraw/zinc/18/14/80/188181480.db2.gz RUVZQHYQSRDKED-CHWSQXEVSA-N 2 1 228.380 1.277 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061589313 188184009 /nfs/dbraw/zinc/18/40/09/188184009.db2.gz BMWVBTQUBNVMLF-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043428077 188217076 /nfs/dbraw/zinc/21/70/76/188217076.db2.gz RXNPTMKGQXEAGH-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1F ZINC000342150811 188218714 /nfs/dbraw/zinc/21/87/14/188218714.db2.gz ZGVVEUUACWVVJZ-UHFFFAOYSA-N 2 1 238.306 1.805 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000128259100 188220783 /nfs/dbraw/zinc/22/07/83/188220783.db2.gz PGVGNZWAQOFGLU-PWSUYJOCSA-N 2 1 236.363 1.288 20 0 BDADMP C([C@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000336521414 188230644 /nfs/dbraw/zinc/23/06/44/188230644.db2.gz TUDWFBJTLPMYGU-ZDUSSCGKSA-N 2 1 237.391 1.062 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291752544 188223772 /nfs/dbraw/zinc/22/37/72/188223772.db2.gz QIPZRGGXJMQCOR-JTQLQIEISA-N 2 1 224.352 1.016 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000252690023 353303686 /nfs/dbraw/zinc/30/36/86/353303686.db2.gz SXXOCSXTBWRQJQ-FRRDWIJNSA-N 2 1 224.348 1.382 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000252690023 353303688 /nfs/dbraw/zinc/30/36/88/353303688.db2.gz SXXOCSXTBWRQJQ-FRRDWIJNSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@@H]1NCc1cccnc1N(C)C ZINC000343284699 353348479 /nfs/dbraw/zinc/34/84/79/353348479.db2.gz URHSLQCTWNCBJI-AAEUAGOBSA-N 2 1 248.374 1.187 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1cccnc1N(C)C ZINC000343284699 353348483 /nfs/dbraw/zinc/34/84/83/353348483.db2.gz URHSLQCTWNCBJI-AAEUAGOBSA-N 2 1 248.374 1.187 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1NCc1cccnc1N(C)C ZINC000343284702 353348531 /nfs/dbraw/zinc/34/85/31/353348531.db2.gz URHSLQCTWNCBJI-DGCLKSJQSA-N 2 1 248.374 1.187 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cccnc1N(C)C ZINC000343284702 353348533 /nfs/dbraw/zinc/34/85/33/353348533.db2.gz URHSLQCTWNCBJI-DGCLKSJQSA-N 2 1 248.374 1.187 20 0 BDADMP C[C@H](c1ccccn1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282309 538116060 /nfs/dbraw/zinc/11/60/60/538116060.db2.gz QRSHHONHWAWLRR-IJLUTSLNSA-N 2 1 217.316 1.294 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000220185103 353820469 /nfs/dbraw/zinc/82/04/69/353820469.db2.gz GEOBDGDGPOUKDN-WCQYABFASA-N 2 1 236.363 1.462 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000220185103 353820472 /nfs/dbraw/zinc/82/04/72/353820472.db2.gz GEOBDGDGPOUKDN-WCQYABFASA-N 2 1 236.363 1.462 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233481384 353823240 /nfs/dbraw/zinc/82/32/40/353823240.db2.gz XAIQCHNTBQJXPS-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220339849 353830190 /nfs/dbraw/zinc/83/01/90/353830190.db2.gz MLEGEEHVTGHICQ-DGCLKSJQSA-N 2 1 236.363 1.462 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220339849 353830194 /nfs/dbraw/zinc/83/01/94/353830194.db2.gz MLEGEEHVTGHICQ-DGCLKSJQSA-N 2 1 236.363 1.462 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@@H](NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000343557948 353921126 /nfs/dbraw/zinc/92/11/26/353921126.db2.gz GOHAHIVIBIXIQJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000343557948 353921130 /nfs/dbraw/zinc/92/11/30/353921130.db2.gz GOHAHIVIBIXIQJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000343557948 353921132 /nfs/dbraw/zinc/92/11/32/353921132.db2.gz GOHAHIVIBIXIQJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CCN1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1 ZINC000343557948 353921137 /nfs/dbraw/zinc/92/11/37/353921137.db2.gz GOHAHIVIBIXIQJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CCN1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000343557948 353921140 /nfs/dbraw/zinc/92/11/40/353921140.db2.gz GOHAHIVIBIXIQJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP COc1ccnc(CN2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000343794060 353998562 /nfs/dbraw/zinc/99/85/62/353998562.db2.gz ZLOGEEZKXBALPB-NSHDSACASA-N 2 1 235.331 1.226 20 0 BDADMP COc1ccnc(CN2CCN(C)C[C@@H]2C)c1 ZINC000343794060 353998564 /nfs/dbraw/zinc/99/85/64/353998564.db2.gz ZLOGEEZKXBALPB-NSHDSACASA-N 2 1 235.331 1.226 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH+](CC)C[C@@H]1C)C(C)C ZINC000343907990 354036540 /nfs/dbraw/zinc/03/65/40/354036540.db2.gz GYKIPJIGCZZOBM-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@H+](CC)C[C@@H]1C)C(C)C ZINC000343907990 354036544 /nfs/dbraw/zinc/03/65/44/354036544.db2.gz GYKIPJIGCZZOBM-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000343907990 354036548 /nfs/dbraw/zinc/03/65/48/354036548.db2.gz GYKIPJIGCZZOBM-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC[NH+](C)C1CCCC1 ZINC000344226790 354183719 /nfs/dbraw/zinc/18/37/19/354183719.db2.gz DMGVHZJJLBEOPF-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[NH+](C)C[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000344226790 354183723 /nfs/dbraw/zinc/18/37/23/354183723.db2.gz DMGVHZJJLBEOPF-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[NH+](C)C[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000344226790 354183726 /nfs/dbraw/zinc/18/37/26/354183726.db2.gz DMGVHZJJLBEOPF-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]([N@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000310107539 491060237 /nfs/dbraw/zinc/06/02/37/491060237.db2.gz PTAFYSNPRIRYRH-AAEUAGOBSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000310107539 491060238 /nfs/dbraw/zinc/06/02/38/491060238.db2.gz PTAFYSNPRIRYRH-AAEUAGOBSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000310107539 491060239 /nfs/dbraw/zinc/06/02/39/491060239.db2.gz PTAFYSNPRIRYRH-AAEUAGOBSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000310107539 491060241 /nfs/dbraw/zinc/06/02/41/491060241.db2.gz PTAFYSNPRIRYRH-AAEUAGOBSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344331020 354227105 /nfs/dbraw/zinc/22/71/05/354227105.db2.gz ONQSEEWSNXMLDQ-DOMZBBRYSA-N 2 1 249.402 1.321 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000344772172 354359949 /nfs/dbraw/zinc/35/99/49/354359949.db2.gz MMWWIBIADFUOHD-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000344772172 354359951 /nfs/dbraw/zinc/35/99/51/354359951.db2.gz MMWWIBIADFUOHD-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000344772172 354359953 /nfs/dbraw/zinc/35/99/53/354359953.db2.gz MMWWIBIADFUOHD-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@@H](O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334624978 354364118 /nfs/dbraw/zinc/36/41/18/354364118.db2.gz SEEGXRPWHTWIFS-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334624978 354364121 /nfs/dbraw/zinc/36/41/21/354364121.db2.gz SEEGXRPWHTWIFS-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334624978 354364123 /nfs/dbraw/zinc/36/41/23/354364123.db2.gz SEEGXRPWHTWIFS-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000334738522 354540907 /nfs/dbraw/zinc/54/09/07/354540907.db2.gz NGMQZYMKLASEGY-DZGCQCFKSA-N 2 1 245.370 1.916 20 0 BDADMP Cc1nccn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334699894 354491931 /nfs/dbraw/zinc/49/19/31/354491931.db2.gz YWBYPZTXNOXMTH-TXEJJXNPSA-N 2 1 221.304 1.055 20 0 BDADMP Cc1nccn1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000334699894 354491932 /nfs/dbraw/zinc/49/19/32/354491932.db2.gz YWBYPZTXNOXMTH-TXEJJXNPSA-N 2 1 221.304 1.055 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000346498665 354960577 /nfs/dbraw/zinc/96/05/77/354960577.db2.gz SPJOAMAZINMQLE-OLZOCXBDSA-N 2 1 244.379 1.112 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000346674636 355008776 /nfs/dbraw/zinc/00/87/76/355008776.db2.gz ISPRVADQYMLCEF-NXEZZACHSA-N 2 1 239.388 1.875 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000346674636 355008779 /nfs/dbraw/zinc/00/87/79/355008779.db2.gz ISPRVADQYMLCEF-NXEZZACHSA-N 2 1 239.388 1.875 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1OCO2 ZINC000346688548 355014085 /nfs/dbraw/zinc/01/40/85/355014085.db2.gz XUQGCDBGGRGBNL-QWRGUYRKSA-N 2 1 248.326 1.584 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000335229465 355071915 /nfs/dbraw/zinc/07/19/15/355071915.db2.gz GWJRGKVJJIUHGN-JSGCOSHPSA-N 2 1 218.344 1.997 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)[C@@H]2C)CC[N@H+]1C ZINC000346803363 355109351 /nfs/dbraw/zinc/10/93/51/355109351.db2.gz VJOMGJCGGFCHSX-AAVRWANBSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000346803363 355109353 /nfs/dbraw/zinc/10/93/53/355109353.db2.gz VJOMGJCGGFCHSX-AAVRWANBSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000346803363 355109355 /nfs/dbraw/zinc/10/93/55/355109355.db2.gz VJOMGJCGGFCHSX-AAVRWANBSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)COC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346844007 355134271 /nfs/dbraw/zinc/13/42/71/355134271.db2.gz YMRYZVVRTRKUHE-UHFFFAOYSA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000346973902 355209277 /nfs/dbraw/zinc/20/92/77/355209277.db2.gz IMHYYNQKJWRSLO-NEPJUHHUSA-N 2 1 227.396 1.386 20 0 BDADMP C[N@@H+](C[C@H]1CCC[C@H]1O)CC1CC[NH2+]CC1 ZINC000346988579 355189407 /nfs/dbraw/zinc/18/94/07/355189407.db2.gz RJPIZXXFOCGQJG-CHWSQXEVSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)OC(=O)[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000347015560 355205948 /nfs/dbraw/zinc/20/59/48/355205948.db2.gz YBHIONTUKCDCJM-NSHDSACASA-N 2 1 242.363 1.258 20 0 BDADMP CC[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000412979335 191347968 /nfs/dbraw/zinc/34/79/68/191347968.db2.gz TYBJFWRAPFJTKG-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000412979335 191347970 /nfs/dbraw/zinc/34/79/70/191347970.db2.gz TYBJFWRAPFJTKG-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000412979335 191347973 /nfs/dbraw/zinc/34/79/73/191347973.db2.gz TYBJFWRAPFJTKG-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000347687612 355268581 /nfs/dbraw/zinc/26/85/81/355268581.db2.gz JHHUHDJXTHQIGX-ZDUSSCGKSA-N 2 1 243.395 1.208 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516119 355252852 /nfs/dbraw/zinc/25/28/52/355252852.db2.gz ICJAZTPLRUNNPB-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000414700309 191549988 /nfs/dbraw/zinc/54/99/88/191549988.db2.gz JMGKEJKKPCCIIB-ZIAGYGMSSA-N 2 1 241.423 1.633 20 0 BDADMP C[N@@H+](CCCCO)CCC[NH+]1CCCCC1 ZINC000349954446 355536671 /nfs/dbraw/zinc/53/66/71/355536671.db2.gz LCHUPYQWUQDIPO-UHFFFAOYSA-N 2 1 228.380 1.567 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)c(F)c1 ZINC000414972621 191637814 /nfs/dbraw/zinc/63/78/14/191637814.db2.gz BACRQJHMPVXVLD-NSHDSACASA-N 2 1 210.296 1.961 20 0 BDADMP CC[C@@H](COC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063725 191665117 /nfs/dbraw/zinc/66/51/17/191665117.db2.gz IYSXFGNXTPWGEO-NWDGAFQWSA-N 2 1 214.353 1.519 20 0 BDADMP CCC[C@H](C[N@@H+](C)CC1CN(C)C1)OC ZINC000639310001 355666612 /nfs/dbraw/zinc/66/66/12/355666612.db2.gz QHZPZSIDEWSWBP-GFCCVEGCSA-N 2 1 214.353 1.295 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000353986710 355749834 /nfs/dbraw/zinc/74/98/34/355749834.db2.gz KPAVGTXIXRQNCZ-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000353986710 355749835 /nfs/dbraw/zinc/74/98/35/355749835.db2.gz KPAVGTXIXRQNCZ-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129640835 355765714 /nfs/dbraw/zinc/76/57/14/355765714.db2.gz ZHOJNMNVQOYGNL-NXEZZACHSA-N 2 1 202.367 1.422 20 0 BDADMP C[C@@]1(O)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000417413860 191834941 /nfs/dbraw/zinc/83/49/41/191834941.db2.gz XWCFIZHVCSNZSW-WUHRBBMRSA-N 2 1 224.348 1.116 20 0 BDADMP CN1CC[N@@H+](CC2CC[NH2+]CC2)C(C)(C)C1 ZINC000336053395 134061102 /nfs/dbraw/zinc/06/11/02/134061102.db2.gz PEVGDCYPJNHAFX-UHFFFAOYSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000191824233 355854384 /nfs/dbraw/zinc/85/43/84/355854384.db2.gz XHESZVVKEPGWCP-PWSUYJOCSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336054938 134066041 /nfs/dbraw/zinc/06/60/41/134066041.db2.gz PPHOVGFBAKYFMH-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000351863475 356100077 /nfs/dbraw/zinc/10/00/77/356100077.db2.gz UBWTYRIOBSURGO-KBPBESRZSA-N 2 1 247.386 1.792 20 0 BDADMP CCn1ccnc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335917576 356158121 /nfs/dbraw/zinc/15/81/21/356158121.db2.gz DLKLPUSAEQNWRC-CQSZACIVSA-N 2 1 248.374 1.431 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCC[NH2+]1 ZINC000333249514 356271546 /nfs/dbraw/zinc/27/15/46/356271546.db2.gz GMTPWDXOUCSQDO-UPJWGTAASA-N 2 1 248.374 1.387 20 0 BDADMP C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420299072 192205668 /nfs/dbraw/zinc/20/56/68/192205668.db2.gz GFHBKJWRODWHCY-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc[nH]n1 ZINC000420318650 192195861 /nfs/dbraw/zinc/19/58/61/192195861.db2.gz OHSUPZNGDOTANC-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP CCOC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420318636 192195868 /nfs/dbraw/zinc/19/58/68/192195868.db2.gz OEJAQKRAFVVZMW-FOSCPWQOSA-N 2 1 240.347 1.154 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639490388 356308028 /nfs/dbraw/zinc/30/80/28/356308028.db2.gz YWGRLADUKLTNOV-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420289665 192201323 /nfs/dbraw/zinc/20/13/23/192201323.db2.gz KPWIEKHIXHZSIF-KBPBESRZSA-N 3 1 241.423 1.778 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420289665 192201324 /nfs/dbraw/zinc/20/13/24/192201324.db2.gz KPWIEKHIXHZSIF-KBPBESRZSA-N 3 1 241.423 1.778 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420288584 192201338 /nfs/dbraw/zinc/20/13/38/192201338.db2.gz JIERRYFZIFDHPJ-STQMWFEESA-N 3 1 227.396 1.291 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420288583 192202050 /nfs/dbraw/zinc/20/20/50/192202050.db2.gz JIERRYFZIFDHPJ-QWHCGFSZSA-N 3 1 227.396 1.291 20 0 BDADMP COc1cc(C)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422882389 192497339 /nfs/dbraw/zinc/49/73/39/192497339.db2.gz ZYNYSPOMARGAQD-NSHDSACASA-N 2 1 234.343 1.701 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000420291460 192202843 /nfs/dbraw/zinc/20/28/43/192202843.db2.gz NPDRLLXFFAIHNT-CYBMUJFWSA-N 2 1 242.363 1.437 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000420291327 192202972 /nfs/dbraw/zinc/20/29/72/192202972.db2.gz NGRMMNUTKZXOLI-ZDUSSCGKSA-N 2 1 219.332 1.437 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000420291327 192202975 /nfs/dbraw/zinc/20/29/75/192202975.db2.gz NGRMMNUTKZXOLI-ZDUSSCGKSA-N 2 1 219.332 1.437 20 0 BDADMP CCCCC[N@@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000420295468 192203088 /nfs/dbraw/zinc/20/30/88/192203088.db2.gz AKWSLNFABUACBX-AWEZNQCLSA-N 2 1 242.407 1.861 20 0 BDADMP C[C@@H]1NCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000420315856 192213265 /nfs/dbraw/zinc/21/32/65/192213265.db2.gz SBIOGFCUXHULIB-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCN(CC[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000420315856 192213267 /nfs/dbraw/zinc/21/32/67/192213267.db2.gz SBIOGFCUXHULIB-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C1(CN)CCC1 ZINC000420333899 192214095 /nfs/dbraw/zinc/21/40/95/192214095.db2.gz TXOLFOKTUYKQKD-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP CN(CCC1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000420333899 192214098 /nfs/dbraw/zinc/21/40/98/192214098.db2.gz TXOLFOKTUYKQKD-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420333084 192214356 /nfs/dbraw/zinc/21/43/56/192214356.db2.gz JVUQPNBTCGXWAZ-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420333084 192214357 /nfs/dbraw/zinc/21/43/57/192214357.db2.gz JVUQPNBTCGXWAZ-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338923 192216132 /nfs/dbraw/zinc/21/61/32/192216132.db2.gz YHANMGKEPJOHEE-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1nccn1CCC[N@H+](C)C1CC([NH3+])C1 ZINC000420344335 192216401 /nfs/dbraw/zinc/21/64/01/192216401.db2.gz XUIHAZWVJGEQFS-UHFFFAOYSA-N 2 1 222.336 1.003 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420344335 192216403 /nfs/dbraw/zinc/21/64/03/192216403.db2.gz XUIHAZWVJGEQFS-UHFFFAOYSA-N 3 1 222.336 1.003 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CC([NH3+])C1 ZINC000420344335 192216406 /nfs/dbraw/zinc/21/64/06/192216406.db2.gz XUIHAZWVJGEQFS-UHFFFAOYSA-N 3 1 222.336 1.003 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@H]2C)C1 ZINC000639510519 356343632 /nfs/dbraw/zinc/34/36/32/356343632.db2.gz BBRGJSVHTBKSRB-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000639510519 356343635 /nfs/dbraw/zinc/34/36/35/356343635.db2.gz BBRGJSVHTBKSRB-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000639510519 356343637 /nfs/dbraw/zinc/34/36/37/356343637.db2.gz BBRGJSVHTBKSRB-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349700 192217238 /nfs/dbraw/zinc/21/72/38/192217238.db2.gz DRFJXNPPYPHVBS-BXKDBHETSA-N 2 1 226.295 1.138 20 0 BDADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349700 192217240 /nfs/dbraw/zinc/21/72/40/192217240.db2.gz DRFJXNPPYPHVBS-BXKDBHETSA-N 2 1 226.295 1.138 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cnccn2)C1 ZINC000639511390 356346268 /nfs/dbraw/zinc/34/62/68/356346268.db2.gz MAEUKWQFHFYGIF-CYBMUJFWSA-N 2 1 248.374 1.293 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2cnccn2)C1 ZINC000639511390 356346272 /nfs/dbraw/zinc/34/62/72/356346272.db2.gz MAEUKWQFHFYGIF-CYBMUJFWSA-N 2 1 248.374 1.293 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2cnccn2)C1 ZINC000639511390 356346273 /nfs/dbraw/zinc/34/62/73/356346273.db2.gz MAEUKWQFHFYGIF-CYBMUJFWSA-N 2 1 248.374 1.293 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2cnccn2)C1 ZINC000639511390 356346277 /nfs/dbraw/zinc/34/62/77/356346277.db2.gz MAEUKWQFHFYGIF-CYBMUJFWSA-N 2 1 248.374 1.293 20 0 BDADMP CC[C@@H]1Cc2ccccc2C[N@H+]1CCOCC[NH3+] ZINC000420353236 192218176 /nfs/dbraw/zinc/21/81/76/192218176.db2.gz BLERLNCHJMRJAI-OAHLLOKOSA-N 2 1 248.370 1.799 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420299500 192207908 /nfs/dbraw/zinc/20/79/08/192207908.db2.gz GQVMDDBADIEIHW-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000420305508 192208442 /nfs/dbraw/zinc/20/84/42/192208442.db2.gz KKEZKQSIEJNQDL-GXTWGEPZSA-N 2 1 233.359 1.683 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420306999 192208476 /nfs/dbraw/zinc/20/84/76/192208476.db2.gz LOQWOKNKEHXERE-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420307014 192208482 /nfs/dbraw/zinc/20/84/82/192208482.db2.gz LPRRYAAFLZCDOO-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420307643 192208780 /nfs/dbraw/zinc/20/87/80/192208780.db2.gz RPVLXTDNNKBTHP-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)(C)C[N@@H+](CCCO)CC[C@@H]1CC[NH2+]C1 ZINC000420306621 192209742 /nfs/dbraw/zinc/20/97/42/192209742.db2.gz QOMVPFHKHXTKKN-ZDUSSCGKSA-N 2 1 242.407 1.717 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420312896 192210115 /nfs/dbraw/zinc/21/01/15/192210115.db2.gz JBNHJXMBFJJRTR-GFCCVEGCSA-N 2 1 242.363 1.531 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420310881 192210212 /nfs/dbraw/zinc/21/02/12/192210212.db2.gz QHBGVFNJNWOBJL-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000420310881 192210215 /nfs/dbraw/zinc/21/02/15/192210215.db2.gz QHBGVFNJNWOBJL-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC000420314679 192212134 /nfs/dbraw/zinc/21/21/34/192212134.db2.gz WAVAWXIEZASFAC-YIYPIFLZSA-N 3 1 237.391 1.045 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccncc3)C[C@H]12 ZINC000420315697 192212395 /nfs/dbraw/zinc/21/23/95/192212395.db2.gz XGDXWIFVEGIEGX-QLFBSQMISA-N 2 1 245.370 1.683 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000420367621 192226342 /nfs/dbraw/zinc/22/63/42/192226342.db2.gz HGBYXPPKJPZBDO-GFCCVEGCSA-N 2 1 236.363 1.773 20 0 BDADMP C[N@@H+](CC[C@H]1CCCCO1)C1CC([NH3+])C1 ZINC000420322647 192227323 /nfs/dbraw/zinc/22/73/23/192227323.db2.gz AQJMXBSRCCBTHL-HTAVTVPLSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420322060 192227929 /nfs/dbraw/zinc/22/79/29/192227929.db2.gz RXXLKYPLOZHKJC-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP COC(=O)CC1(C[NH2+][C@](C)(C[NH3+])C(C)C)CC1 ZINC000420325051 192228918 /nfs/dbraw/zinc/22/89/18/192228918.db2.gz WBBQBFNPTRQEFL-GFCCVEGCSA-N 2 1 242.363 1.293 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324815 192229447 /nfs/dbraw/zinc/22/94/47/192229447.db2.gz HQDAAEHTFGVYSK-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000420324554 192230191 /nfs/dbraw/zinc/23/01/91/192230191.db2.gz ATYDFJYKJIFIDX-JSGCOSHPSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CCN(CCC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000420324554 192230194 /nfs/dbraw/zinc/23/01/94/192230194.db2.gz ATYDFJYKJIFIDX-JSGCOSHPSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324884 192230564 /nfs/dbraw/zinc/23/05/64/192230564.db2.gz VPDJHLRXZHCAOU-UONOGXRCSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324884 192230565 /nfs/dbraw/zinc/23/05/65/192230565.db2.gz VPDJHLRXZHCAOU-UONOGXRCSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324884 192230567 /nfs/dbraw/zinc/23/05/67/192230567.db2.gz VPDJHLRXZHCAOU-UONOGXRCSA-N 3 1 239.407 1.260 20 0 BDADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420354988 192220075 /nfs/dbraw/zinc/22/00/75/192220075.db2.gz PDDDYQKKFQNGSZ-PSASIEDQSA-N 2 1 244.285 1.277 20 0 BDADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420354988 192220076 /nfs/dbraw/zinc/22/00/76/192220076.db2.gz PDDDYQKKFQNGSZ-PSASIEDQSA-N 2 1 244.285 1.277 20 0 BDADMP Nc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccn1 ZINC000420357125 192220441 /nfs/dbraw/zinc/22/04/41/192220441.db2.gz DDQIDIVMUAHOKL-CYBMUJFWSA-N 2 1 248.374 1.491 20 0 BDADMP CCOC(=O)C[N@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420357425 192220601 /nfs/dbraw/zinc/22/06/01/192220601.db2.gz HUBGMVVTZSHDON-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420357425 192220602 /nfs/dbraw/zinc/22/06/02/192220602.db2.gz HUBGMVVTZSHDON-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420359721 192221714 /nfs/dbraw/zinc/22/17/14/192221714.db2.gz KFJPBZLFUNJSNW-NEPJUHHUSA-N 3 1 227.396 1.339 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000420361027 192221868 /nfs/dbraw/zinc/22/18/68/192221868.db2.gz XQDAWKPOXCWWBQ-DGCLKSJQSA-N 2 1 238.306 1.064 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361979 192222690 /nfs/dbraw/zinc/22/26/90/192222690.db2.gz HKYBUZAGRDDZPT-ZDUSSCGKSA-N 2 1 226.364 1.489 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420365348 192223195 /nfs/dbraw/zinc/22/31/95/192223195.db2.gz LAUGORMZBJQBEE-BZPMIXESSA-N 3 1 239.407 1.352 20 0 BDADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000420365504 192224647 /nfs/dbraw/zinc/22/46/47/192224647.db2.gz DXSRLBBNIPWBHP-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP CCN1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000420366400 192225344 /nfs/dbraw/zinc/22/53/44/192225344.db2.gz ULPIZEQUXZINPV-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP COCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420383692 192234814 /nfs/dbraw/zinc/23/48/14/192234814.db2.gz DNRSSHIOGOYZMU-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420396985 192236391 /nfs/dbraw/zinc/23/63/91/192236391.db2.gz FPLZBMVWRNTCCW-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP FCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420409950 192238848 /nfs/dbraw/zinc/23/88/48/192238848.db2.gz XRTGPZVEICGTFY-VXGBXAGGSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000420420664 192241084 /nfs/dbraw/zinc/24/10/84/192241084.db2.gz YDJRAQPDFWDZLL-NEPJUHHUSA-N 2 1 244.342 1.870 20 0 BDADMP CC[C@H](C)[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377075 192231182 /nfs/dbraw/zinc/23/11/82/192231182.db2.gz RNYCDYNOYVAPPM-NWDGAFQWSA-N 2 1 242.363 1.260 20 0 BDADMP COCCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420375638 192231972 /nfs/dbraw/zinc/23/19/72/192231972.db2.gz TZSNAJXYTXQHPS-IJLUTSLNSA-N 2 1 214.353 1.389 20 0 BDADMP CCOCCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420376578 192232075 /nfs/dbraw/zinc/23/20/75/192232075.db2.gz VFIPFWLZOBPTQA-QJPTWQEYSA-N 2 1 214.353 1.389 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(F)(F)F ZINC000420374048 192232206 /nfs/dbraw/zinc/23/22/06/192232206.db2.gz ZXPZEHKZBLPVDL-ZETCQYMHSA-N 2 1 212.259 1.902 20 0 BDADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@H]1CCCOC1 ZINC000449783608 202035601 /nfs/dbraw/zinc/03/56/01/202035601.db2.gz QJFPCGPZAKSSTG-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@H]1CCCOC1 ZINC000449783608 202035602 /nfs/dbraw/zinc/03/56/02/202035602.db2.gz QJFPCGPZAKSSTG-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000421033302 192308954 /nfs/dbraw/zinc/30/89/54/192308954.db2.gz XNICENHWWFUMPG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C)CCCC1)C1CC1 ZINC000379759988 363547996 /nfs/dbraw/zinc/54/79/96/363547996.db2.gz AYKMUBODSCIRMF-ZDUSSCGKSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C)CCCC1)C1CC1 ZINC000379759988 363548002 /nfs/dbraw/zinc/54/80/02/363548002.db2.gz AYKMUBODSCIRMF-ZDUSSCGKSA-N 2 1 240.391 1.611 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423056132 192554598 /nfs/dbraw/zinc/55/45/98/192554598.db2.gz FCDHUCOJILQYHX-HBNTYKKESA-N 2 1 200.326 1.142 20 0 BDADMP Cn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754548 356656405 /nfs/dbraw/zinc/65/64/05/356656405.db2.gz CBCMBLOOZJCCAT-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758922 356669752 /nfs/dbraw/zinc/66/97/52/356669752.db2.gz XXNRXHAWQRVKHL-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](CO)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758869 356669908 /nfs/dbraw/zinc/66/99/08/356669908.db2.gz XVKREQXVDNXXJX-LBPRGKRZSA-N 2 1 226.364 1.033 20 0 BDADMP CC(C)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761313 356676625 /nfs/dbraw/zinc/67/66/25/356676625.db2.gz GRDHVEPGNGHYIA-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761313 356676626 /nfs/dbraw/zinc/67/66/26/356676626.db2.gz GRDHVEPGNGHYIA-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)O)[C@H](C)C1 ZINC000167742822 134153942 /nfs/dbraw/zinc/15/39/42/134153942.db2.gz QZPAFLRMJJOENJ-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335651 356722094 /nfs/dbraw/zinc/72/20/94/356722094.db2.gz WYAHGMJBAQCEHT-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450434631 202167459 /nfs/dbraw/zinc/16/74/59/202167459.db2.gz DLPWFLNNLZGHNC-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000450434631 202167462 /nfs/dbraw/zinc/16/74/62/202167462.db2.gz DLPWFLNNLZGHNC-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000450434631 202167464 /nfs/dbraw/zinc/16/74/64/202167464.db2.gz DLPWFLNNLZGHNC-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000130264030 325032113 /nfs/dbraw/zinc/03/21/13/325032113.db2.gz KPBMKOMEARGXFF-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000130264030 325032115 /nfs/dbraw/zinc/03/21/15/325032115.db2.gz KPBMKOMEARGXFF-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000130264030 325032118 /nfs/dbraw/zinc/03/21/18/325032118.db2.gz KPBMKOMEARGXFF-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000130264030 325032119 /nfs/dbraw/zinc/03/21/19/325032119.db2.gz KPBMKOMEARGXFF-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000130264030 325032121 /nfs/dbraw/zinc/03/21/21/325032121.db2.gz KPBMKOMEARGXFF-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000130264030 325032122 /nfs/dbraw/zinc/03/21/22/325032122.db2.gz KPBMKOMEARGXFF-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335384 356716972 /nfs/dbraw/zinc/71/69/72/356716972.db2.gz KXDIYPHACVHTLS-GHMZBOCLSA-N 2 1 214.353 1.484 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000130264030 325032124 /nfs/dbraw/zinc/03/21/24/325032124.db2.gz KPBMKOMEARGXFF-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000383698762 538664534 /nfs/dbraw/zinc/66/45/34/538664534.db2.gz VGLADBNNUUTJCX-KGLIPLIRSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000383698762 538664539 /nfs/dbraw/zinc/66/45/39/538664539.db2.gz VGLADBNNUUTJCX-KGLIPLIRSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383698762 538664546 /nfs/dbraw/zinc/66/45/46/538664546.db2.gz VGLADBNNUUTJCX-KGLIPLIRSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383935 356909100 /nfs/dbraw/zinc/90/91/00/356909100.db2.gz HYLHPHOZXPEHSN-STQMWFEESA-N 2 1 241.423 1.789 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000353466582 538743355 /nfs/dbraw/zinc/74/33/55/538743355.db2.gz ZRIKLKNRQSFIAV-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000156056386 538761204 /nfs/dbraw/zinc/76/12/04/538761204.db2.gz KOMYMQCDAUTKKJ-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000156056386 538761209 /nfs/dbraw/zinc/76/12/09/538761209.db2.gz KOMYMQCDAUTKKJ-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000156056386 538761215 /nfs/dbraw/zinc/76/12/15/538761215.db2.gz KOMYMQCDAUTKKJ-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000156056386 538761217 /nfs/dbraw/zinc/76/12/17/538761217.db2.gz KOMYMQCDAUTKKJ-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000390590876 357111262 /nfs/dbraw/zinc/11/12/62/357111262.db2.gz ZHNNNZHCZCVALU-CHWSQXEVSA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000389894214 357061327 /nfs/dbraw/zinc/06/13/27/357061327.db2.gz XRRYYJZGEZSTEA-UHFFFAOYSA-N 2 1 214.328 1.951 20 0 BDADMP CC(C)[C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000393758623 357296600 /nfs/dbraw/zinc/29/66/00/357296600.db2.gz UQLFDOGBYFFYQA-AAEUAGOBSA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)[C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000393758623 357296603 /nfs/dbraw/zinc/29/66/03/357296603.db2.gz UQLFDOGBYFFYQA-AAEUAGOBSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000582540558 357338789 /nfs/dbraw/zinc/33/87/89/357338789.db2.gz ZBALEWDJJIYHJR-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000582540558 357338790 /nfs/dbraw/zinc/33/87/90/357338790.db2.gz ZBALEWDJJIYHJR-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000582540558 357338794 /nfs/dbraw/zinc/33/87/94/357338794.db2.gz ZBALEWDJJIYHJR-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000582540558 357338796 /nfs/dbraw/zinc/33/87/96/357338796.db2.gz ZBALEWDJJIYHJR-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP CCc1ccc(C[NH2+]CCC[NH+]2CCC2)cn1 ZINC000582615923 357353169 /nfs/dbraw/zinc/35/31/69/357353169.db2.gz GABSSUDTMMMSBQ-UHFFFAOYSA-N 2 1 233.359 1.829 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)COC ZINC000582633414 357355616 /nfs/dbraw/zinc/35/56/16/357355616.db2.gz QQIHYNJJGBFVHO-GFCCVEGCSA-N 2 1 216.369 1.543 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])[C@@H]1COc2ccccc21 ZINC000582786759 357394424 /nfs/dbraw/zinc/39/44/24/357394424.db2.gz CEIAOAYLNLSKOR-ONGXEEELSA-N 2 1 206.289 1.099 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccno2)C[C@@H]1C[NH3+] ZINC000397300172 357511879 /nfs/dbraw/zinc/51/18/79/357511879.db2.gz DHBRVQBGYGZOLM-VWYCJHECSA-N 2 1 223.320 1.480 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccno2)C[C@@H]1C[NH3+] ZINC000397300172 357511885 /nfs/dbraw/zinc/51/18/85/357511885.db2.gz DHBRVQBGYGZOLM-VWYCJHECSA-N 2 1 223.320 1.480 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000359016915 538848636 /nfs/dbraw/zinc/84/86/36/538848636.db2.gz UHQASYCJYSIFPN-SWLSCSKDSA-N 2 1 247.386 1.862 20 0 BDADMP CC(C)=CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397656985 357619023 /nfs/dbraw/zinc/61/90/23/357619023.db2.gz KCBUQCBIPWPHDL-CYBMUJFWSA-N 2 1 226.364 1.387 20 0 BDADMP CC(C)=CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000397656985 357619027 /nfs/dbraw/zinc/61/90/27/357619027.db2.gz KCBUQCBIPWPHDL-CYBMUJFWSA-N 2 1 226.364 1.387 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)C2CC2)CC1(C)C ZINC000623415537 357764355 /nfs/dbraw/zinc/76/43/55/357764355.db2.gz OJUQDARWLQYNLL-TZMCWYRMSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CCO ZINC000191479557 357773758 /nfs/dbraw/zinc/77/37/58/357773758.db2.gz KDRCWYYLZLTDBW-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000234736071 357833817 /nfs/dbraw/zinc/83/38/17/357833817.db2.gz LSUVDGXHOYKLNN-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP Cc1c[nH+]ccc1NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000192558956 357844081 /nfs/dbraw/zinc/84/40/81/357844081.db2.gz NAPZICICHVHGIO-CYBMUJFWSA-N 2 1 248.374 1.438 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1(F)CCC1)C1CC1 ZINC000583317846 357900692 /nfs/dbraw/zinc/90/06/92/357900692.db2.gz BGMMTRFPCWWEAG-LBPRGKRZSA-N 2 1 244.354 1.313 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1(F)CCC1)C1CC1 ZINC000583317846 357900695 /nfs/dbraw/zinc/90/06/95/357900695.db2.gz BGMMTRFPCWWEAG-LBPRGKRZSA-N 2 1 244.354 1.313 20 0 BDADMP Cc1[nH]ncc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387312143 357915793 /nfs/dbraw/zinc/91/57/93/357915793.db2.gz LJBVDBOBPJTEEC-UHFFFAOYSA-N 2 1 238.379 1.928 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H](C)O ZINC000386678608 357957574 /nfs/dbraw/zinc/95/75/74/357957574.db2.gz HSZROMDTHHYRNA-PWSUYJOCSA-N 2 1 214.353 1.220 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC2)CC1(C)C ZINC000623417752 357957917 /nfs/dbraw/zinc/95/79/17/357957917.db2.gz NLBPRCIGEXQOTI-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCOC2)CC1(C)C ZINC000623417754 357958341 /nfs/dbraw/zinc/95/83/41/357958341.db2.gz NLBPRCIGEXQOTI-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP COc1ccc(C[N@H+](C)CCC[NH3+])cc1F ZINC000034974950 357965773 /nfs/dbraw/zinc/96/57/73/357965773.db2.gz ADBPAPYEOPPGRO-UHFFFAOYSA-N 2 1 226.295 1.615 20 0 BDADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1F ZINC000034974950 357965778 /nfs/dbraw/zinc/96/57/78/357965778.db2.gz ADBPAPYEOPPGRO-UHFFFAOYSA-N 2 1 226.295 1.615 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ncccc1F ZINC000584463865 357981244 /nfs/dbraw/zinc/98/12/44/357981244.db2.gz MOEXOVQQAGKLIN-GXSJLCMTSA-N 2 1 223.295 1.438 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C1CCOCC1 ZINC000036321664 358019989 /nfs/dbraw/zinc/01/99/89/358019989.db2.gz DCUOZTVDHNTVFU-LLVKDONJSA-N 2 1 214.353 1.471 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCOCC1 ZINC000036321360 358020236 /nfs/dbraw/zinc/02/02/36/358020236.db2.gz UUYFJBPOULWRCZ-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCSCC2)CC[N@@H+]1C ZINC000090720980 363594944 /nfs/dbraw/zinc/59/49/44/363594944.db2.gz ZPTWLKRRDHGITJ-JQWIXIFHSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCSCC2)CC[N@H+]1C ZINC000090720980 363594947 /nfs/dbraw/zinc/59/49/47/363594947.db2.gz ZPTWLKRRDHGITJ-JQWIXIFHSA-N 2 1 228.405 1.954 20 0 BDADMP CC1([NH+]2CCCC2)CC[NH+](CCCO)CC1 ZINC000639981578 358025409 /nfs/dbraw/zinc/02/54/09/358025409.db2.gz LTAOYQAVLPYJCP-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000037502143 358078430 /nfs/dbraw/zinc/07/84/30/358078430.db2.gz YIZDWTSXOXYVPM-LBPRGKRZSA-N 2 1 246.358 1.990 20 0 BDADMP Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000037502143 358078433 /nfs/dbraw/zinc/07/84/33/358078433.db2.gz YIZDWTSXOXYVPM-LBPRGKRZSA-N 2 1 246.358 1.990 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCCO2)CC1 ZINC000640017918 358080848 /nfs/dbraw/zinc/08/08/48/358080848.db2.gz MVAZJEQIYCKFID-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222964138 358216558 /nfs/dbraw/zinc/21/65/58/358216558.db2.gz YVYHYWCLCNZAMP-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222964138 358216562 /nfs/dbraw/zinc/21/65/62/358216562.db2.gz YVYHYWCLCNZAMP-JHJVBQTASA-N 3 1 225.380 1.188 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222964138 358216565 /nfs/dbraw/zinc/21/65/65/358216565.db2.gz YVYHYWCLCNZAMP-JHJVBQTASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324883 358372870 /nfs/dbraw/zinc/37/28/70/358372870.db2.gz UCBXPFFQLGHLJE-NWDGAFQWSA-N 2 1 222.332 1.942 20 0 BDADMP CC(C)[N@H+](C)CC1CC[NH+](CC[C@H](C)O)CC1 ZINC000578217416 366452936 /nfs/dbraw/zinc/45/29/36/366452936.db2.gz QCHZRFOQVGPDOC-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000044494695 358549612 /nfs/dbraw/zinc/54/96/12/358549612.db2.gz XEICTNHJVAPXGQ-LBPRGKRZSA-N 2 1 238.379 1.803 20 0 BDADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CCCOC2)CCCC1 ZINC000132005237 358704141 /nfs/dbraw/zinc/70/41/41/358704141.db2.gz LLIHXKWYHLPLMH-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP COC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000133671671 358762687 /nfs/dbraw/zinc/76/26/87/358762687.db2.gz MDUIJXTUAGIJLC-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000132279947 358715038 /nfs/dbraw/zinc/71/50/38/358715038.db2.gz QDFQLBWVWRWURM-GHMZBOCLSA-N 2 1 226.364 1.626 20 0 BDADMP CCC[C@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000050193466 358718097 /nfs/dbraw/zinc/71/80/97/358718097.db2.gz UNWUNVJMCCMEKS-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000050193466 358718101 /nfs/dbraw/zinc/71/81/01/358718101.db2.gz UNWUNVJMCCMEKS-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000219860297 134292406 /nfs/dbraw/zinc/29/24/06/134292406.db2.gz PJWPFKQNUXFPQN-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCn2cccn2)[C@H](C)C1 ZINC000134076852 358779021 /nfs/dbraw/zinc/77/90/21/358779021.db2.gz CNRNDYLSULFQQC-CHWSQXEVSA-N 2 1 236.363 1.203 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCOCCC(C)C)C1 ZINC000053034244 358805992 /nfs/dbraw/zinc/80/59/92/358805992.db2.gz OGFSEWOHIHJPEH-CYBMUJFWSA-N 2 1 228.380 1.590 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC1(C)C ZINC000623433104 358946546 /nfs/dbraw/zinc/94/65/46/358946546.db2.gz ZYCCRYWONJHBPA-AGIUHOORSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+]C1CCN(C)CC1)c1cnccn1 ZINC000070024964 359038672 /nfs/dbraw/zinc/03/86/72/359038672.db2.gz LSSVSEAAJNLHRO-JTQLQIEISA-N 2 1 220.320 1.221 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cn[nH]c1 ZINC000423327613 192707568 /nfs/dbraw/zinc/70/75/68/192707568.db2.gz DCIIIEYCXLWOSV-JQWIXIFHSA-N 2 1 222.336 1.450 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000247070572 359192573 /nfs/dbraw/zinc/19/25/73/359192573.db2.gz OGRLEHAZHAIGFI-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCc1nc(NCC[NH+](C)C)cc(C)[nH+]1 ZINC000286949151 359401043 /nfs/dbraw/zinc/40/10/43/359401043.db2.gz MNMVJGGBSROOQC-UHFFFAOYSA-N 2 1 208.309 1.321 20 0 BDADMP C[C@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCCC[NH2+]1 ZINC000379588840 359556321 /nfs/dbraw/zinc/55/63/21/359556321.db2.gz PSTCQDIDSLXBEX-JQWIXIFHSA-N 2 1 222.336 1.072 20 0 BDADMP C[C@@H]1C[C@@H](NCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379652682 359574561 /nfs/dbraw/zinc/57/45/61/359574561.db2.gz XRHVHBKABIFHNC-HIFRSBDPSA-N 2 1 247.386 1.588 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000578368536 366541157 /nfs/dbraw/zinc/54/11/57/366541157.db2.gz VPXBFECQYPBDJG-CRWXNKLISA-N 2 1 242.407 1.856 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000578368536 366541159 /nfs/dbraw/zinc/54/11/59/366541159.db2.gz VPXBFECQYPBDJG-CRWXNKLISA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000578880547 366666265 /nfs/dbraw/zinc/66/62/65/366666265.db2.gz HIKOODPGHKDNSQ-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089150672 359993693 /nfs/dbraw/zinc/99/36/93/359993693.db2.gz HUVUKTCLWYTOIN-OCCSQVGLSA-N 2 1 239.407 1.578 20 0 BDADMP CCc1cc(N2CC[C@@H](C[NH2+]C)C2)nc(C)[nH+]1 ZINC000088760624 359977006 /nfs/dbraw/zinc/97/70/06/359977006.db2.gz SKYJAOUHCIDZPZ-NSHDSACASA-N 2 1 234.347 1.393 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccncc2)CC[N@@H+]1C ZINC000090720603 360085104 /nfs/dbraw/zinc/08/51/04/360085104.db2.gz WSRLGGGINVONTI-WCQYABFASA-N 2 1 219.332 1.654 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccncc2)CC[N@H+]1C ZINC000090720603 360085108 /nfs/dbraw/zinc/08/51/08/360085108.db2.gz WSRLGGGINVONTI-WCQYABFASA-N 2 1 219.332 1.654 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)O ZINC000092982004 360208722 /nfs/dbraw/zinc/20/87/22/360208722.db2.gz NGTMBXNIVWDHLU-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)O ZINC000092982004 360208726 /nfs/dbraw/zinc/20/87/26/360208726.db2.gz NGTMBXNIVWDHLU-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)O ZINC000092982004 360208728 /nfs/dbraw/zinc/20/87/28/360208728.db2.gz NGTMBXNIVWDHLU-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1C[N@H+](CC2(F)CC2)CC[C@H]1[NH3+] ZINC000306522237 360356280 /nfs/dbraw/zinc/35/62/80/360356280.db2.gz PKBBYDPTRZNYCL-NXEZZACHSA-N 2 1 200.301 1.548 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2(F)CC2)CC[C@H]1[NH3+] ZINC000306522237 360356285 /nfs/dbraw/zinc/35/62/85/360356285.db2.gz PKBBYDPTRZNYCL-NXEZZACHSA-N 2 1 200.301 1.548 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cn[nH]c1 ZINC000623474541 360410666 /nfs/dbraw/zinc/41/06/66/360410666.db2.gz FESPBCOCAAGVSF-JQWIXIFHSA-N 2 1 236.363 1.933 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cn[nH]c1 ZINC000623474541 360410670 /nfs/dbraw/zinc/41/06/70/360410670.db2.gz FESPBCOCAAGVSF-JQWIXIFHSA-N 2 1 236.363 1.933 20 0 BDADMP C[C@H]1CCC[C@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000381036287 360536742 /nfs/dbraw/zinc/53/67/42/360536742.db2.gz FHNTUEZNTUHSHG-STQMWFEESA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000309585684 491151552 /nfs/dbraw/zinc/15/15/52/491151552.db2.gz RSNAJRJSZCVCFV-DGCLKSJQSA-N 2 1 226.364 1.628 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCCCO ZINC000309623259 491153641 /nfs/dbraw/zinc/15/36/41/491153641.db2.gz FUTBLYJIICXSCJ-CHWSQXEVSA-N 2 1 230.396 1.857 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000629388728 361035204 /nfs/dbraw/zinc/03/52/04/361035204.db2.gz PFRRPFYLMRLMFJ-YXCITZCRSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629409404 361058185 /nfs/dbraw/zinc/05/81/85/361058185.db2.gz APKZKOBJJKULRD-YRGRVCCFSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410582 361060626 /nfs/dbraw/zinc/06/06/26/361060626.db2.gz HBWHGHPAIILXEY-OPDFLTKYSA-N 2 1 237.391 1.199 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629519282 361120654 /nfs/dbraw/zinc/12/06/54/361120654.db2.gz OITXLURMDLCRQV-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@H](C)OC ZINC000629526207 361128476 /nfs/dbraw/zinc/12/84/76/361128476.db2.gz NCQSZUMNVWHMRY-XWLWVQCSSA-N 2 1 200.326 1.140 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000629532307 361151266 /nfs/dbraw/zinc/15/12/66/361151266.db2.gz UVKKJMIJNWKQRS-HZSPNIEDSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629525877 361126992 /nfs/dbraw/zinc/12/69/92/361126992.db2.gz FECOYQIYVAHWOS-FVCCEPFGSA-N 2 1 225.380 1.199 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000158916805 361214072 /nfs/dbraw/zinc/21/40/72/361214072.db2.gz LZYINYSQXHKLHP-LBPRGKRZSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534055 361303348 /nfs/dbraw/zinc/30/33/48/361303348.db2.gz JZXWTNJKSYDFMX-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccccn1 ZINC000579137410 366723013 /nfs/dbraw/zinc/72/30/13/366723013.db2.gz BMEFRMPDFFDJMC-UHFFFAOYSA-N 2 1 244.342 1.880 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccccn1 ZINC000579137410 366723019 /nfs/dbraw/zinc/72/30/19/366723019.db2.gz BMEFRMPDFFDJMC-UHFFFAOYSA-N 2 1 244.342 1.880 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@H](C)[NH3+])[C@H](C)C1 ZINC000622045686 370680171 /nfs/dbraw/zinc/68/01/71/370680171.db2.gz OFNKNZHENGEGKZ-WOPDTQHZSA-N 2 1 213.369 1.044 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])[C@H](C)C1 ZINC000622045686 370680172 /nfs/dbraw/zinc/68/01/72/370680172.db2.gz OFNKNZHENGEGKZ-WOPDTQHZSA-N 3 1 213.369 1.044 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])[C@H](C)C1 ZINC000622045686 370680175 /nfs/dbraw/zinc/68/01/75/370680175.db2.gz OFNKNZHENGEGKZ-WOPDTQHZSA-N 3 1 213.369 1.044 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH2+]C ZINC000428556767 201027861 /nfs/dbraw/zinc/02/78/61/201027861.db2.gz GNJSOTQQGTXHCA-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP [NH3+]C1(C[NH2+]CCOc2ccccc2)CCC1 ZINC000342147952 181331884 /nfs/dbraw/zinc/33/18/84/181331884.db2.gz ZTNDXDJUXOGMTO-UHFFFAOYSA-N 2 1 220.316 1.536 20 0 BDADMP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000579363968 366771864 /nfs/dbraw/zinc/77/18/64/366771864.db2.gz NNTHQUISDPFTPX-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000429528673 201113025 /nfs/dbraw/zinc/11/30/25/201113025.db2.gz NFCIRHWZMNOEOZ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629543533 361411391 /nfs/dbraw/zinc/41/13/91/361411391.db2.gz BHJDSNKUZWQSHZ-IRCOFANPSA-N 2 1 226.364 1.530 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCOC1 ZINC000629535003 361408438 /nfs/dbraw/zinc/40/84/38/361408438.db2.gz CCLHIELAHRXLNV-LPWJVIDDSA-N 2 1 226.364 1.532 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629534865 361408517 /nfs/dbraw/zinc/40/85/17/361408517.db2.gz BDQZPHTUYOJENX-SDDRHHMPSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430111931 201145192 /nfs/dbraw/zinc/14/51/92/201145192.db2.gz APMCJQUPOYXZTR-AGIUHOORSA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430111931 201145196 /nfs/dbraw/zinc/14/51/96/201145196.db2.gz APMCJQUPOYXZTR-AGIUHOORSA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430111931 201145201 /nfs/dbraw/zinc/14/52/01/201145201.db2.gz APMCJQUPOYXZTR-AGIUHOORSA-N 2 1 208.349 1.670 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545151 361425755 /nfs/dbraw/zinc/42/57/55/361425755.db2.gz AFNJCMILYYMAFB-SDDRHHMPSA-N 2 1 214.353 1.532 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000629568414 361460707 /nfs/dbraw/zinc/46/07/07/361460707.db2.gz VGVHOFOTRNJPEC-UHFFFAOYSA-N 2 1 236.359 1.663 20 0 BDADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000629576773 361467296 /nfs/dbraw/zinc/46/72/96/361467296.db2.gz SXIMZBLDWRAODI-UWVGGRQHSA-N 2 1 218.291 1.716 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000430944702 201159343 /nfs/dbraw/zinc/15/93/43/201159343.db2.gz UPBUDZFSQSLXDT-LLVKDONJSA-N 2 1 238.306 1.485 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584611 361473534 /nfs/dbraw/zinc/47/35/34/361473534.db2.gz CCECFRIXGWPAAC-OKILXGFUSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(N)c1)C2 ZINC000629592366 361484671 /nfs/dbraw/zinc/48/46/71/361484671.db2.gz AXTNZJGNRMELOT-GASCZTMLSA-N 2 1 245.370 1.700 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593213 361484807 /nfs/dbraw/zinc/48/48/07/361484807.db2.gz ITGCTSFYSLNRGJ-LPWJVIDDSA-N 2 1 208.349 1.574 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cc(C)ccc1F ZINC000163323301 361455159 /nfs/dbraw/zinc/45/51/59/361455159.db2.gz LWEZRJWNXKKHDT-UHFFFAOYSA-N 2 1 210.296 1.833 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC[NH+](C)C)[C@H](C)C1 ZINC000151922074 201187584 /nfs/dbraw/zinc/18/75/84/201187584.db2.gz WHINNSFCBLSKAR-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+](C)C)[C@H](C)C1 ZINC000151922074 201187586 /nfs/dbraw/zinc/18/75/86/201187586.db2.gz WHINNSFCBLSKAR-CHWSQXEVSA-N 3 1 227.396 1.258 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+](C)C)[C@H](C)C1 ZINC000151922074 201187589 /nfs/dbraw/zinc/18/75/89/201187589.db2.gz WHINNSFCBLSKAR-CHWSQXEVSA-N 3 1 227.396 1.258 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1scnc1C ZINC000629654908 361558063 /nfs/dbraw/zinc/55/80/63/361558063.db2.gz UIMKLDQYXAFHDX-UHFFFAOYSA-N 2 1 243.376 1.119 20 0 BDADMP COCc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])o1 ZINC000629650155 361547605 /nfs/dbraw/zinc/54/76/05/361547605.db2.gz PMKCULBXFOSYAG-NXEZZACHSA-N 2 1 226.320 1.641 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccn(C)c1 ZINC000629652181 361549642 /nfs/dbraw/zinc/54/96/42/361549642.db2.gz XKOFVEDURXWLAQ-CYBMUJFWSA-N 2 1 223.364 1.830 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629653852 361554303 /nfs/dbraw/zinc/55/43/03/361554303.db2.gz LBTFXRSXCGYFMZ-LBPRGKRZSA-N 2 1 224.348 1.394 20 0 BDADMP C[NH2+]C1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000629651862 361557258 /nfs/dbraw/zinc/55/72/58/361557258.db2.gz MICZUIUIWNNNTD-UHFFFAOYSA-N 2 1 207.321 1.209 20 0 BDADMP C[N@H+](CCOCC[NH3+])Cc1cscc1Cl ZINC000629661571 361594329 /nfs/dbraw/zinc/59/43/29/361594329.db2.gz CSTRGADGMCOIKD-UHFFFAOYSA-N 2 1 248.779 1.809 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cscc1Cl ZINC000629661571 361594339 /nfs/dbraw/zinc/59/43/39/361594339.db2.gz CSTRGADGMCOIKD-UHFFFAOYSA-N 2 1 248.779 1.809 20 0 BDADMP C[N@H+](C/C=C\c1ccccc1)CCOCC[NH3+] ZINC000629663030 361595572 /nfs/dbraw/zinc/59/55/72/361595572.db2.gz JEJDQADWFUEFJK-YVMONPNESA-N 2 1 234.343 1.607 20 0 BDADMP CCC[C@@H](CC)[NH2+]C1CC[NH+](CCO)CC1 ZINC000310033384 491159722 /nfs/dbraw/zinc/15/97/22/491159722.db2.gz RYGMSOQKFHNSSX-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCC[NH2+]CC1 ZINC000435388714 201267771 /nfs/dbraw/zinc/26/77/71/201267771.db2.gz GWEIRQQMOCSVOY-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154333197 201275787 /nfs/dbraw/zinc/27/57/87/201275787.db2.gz VBRHIENIQIYFBW-UTUOFQBUSA-N 2 1 228.380 1.323 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000435884477 201296165 /nfs/dbraw/zinc/29/61/65/201296165.db2.gz SUNAWMBFEHGZCO-CQSZACIVSA-N 2 1 233.359 1.782 20 0 BDADMP CCCO[C@@H]1CCC[N@@H+](CCC[NH2+]C)CC1 ZINC000435883425 201296891 /nfs/dbraw/zinc/29/68/91/201296891.db2.gz KTVINGGARLPMFV-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP CCc1cc(NC[C@@H](C)[NH+]2CCOCC2)cc[nH+]1 ZINC000450242660 201306693 /nfs/dbraw/zinc/30/66/93/201306693.db2.gz PFYWMGWROMRXHS-GFCCVEGCSA-N 2 1 249.358 1.199 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000435882388 201294431 /nfs/dbraw/zinc/29/44/31/201294431.db2.gz YMTGTRROVXGCBJ-UHFFFAOYSA-N 2 1 249.358 1.534 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000435881999 201294659 /nfs/dbraw/zinc/29/46/59/201294659.db2.gz RJMGFOIXLBHMLX-ZDUSSCGKSA-N 2 1 236.363 1.265 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000435885753 201294935 /nfs/dbraw/zinc/29/49/35/201294935.db2.gz NTMPZBJGCCQLKC-YPMHNXCESA-N 2 1 228.380 1.731 20 0 BDADMP CCCO[C@H]1CCC[N@@H+](CCC[NH2+]C)CC1 ZINC000435883426 201295158 /nfs/dbraw/zinc/29/51/58/201295158.db2.gz KTVINGGARLPMFV-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)nc2)C1 ZINC000155441957 201333017 /nfs/dbraw/zinc/33/30/17/201333017.db2.gz QZGMQSROJBVDSA-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)nc2)C1 ZINC000155441957 201333021 /nfs/dbraw/zinc/33/30/21/201333021.db2.gz QZGMQSROJBVDSA-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCOC2)CCN1C ZINC000438105835 201389663 /nfs/dbraw/zinc/38/96/63/201389663.db2.gz PEFHJSHXFNIHSO-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCOC2)CC[N@@H+]1C ZINC000438105835 201389665 /nfs/dbraw/zinc/38/96/65/201389665.db2.gz PEFHJSHXFNIHSO-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCOC2)CC[N@H+]1C ZINC000438105835 201389668 /nfs/dbraw/zinc/38/96/68/201389668.db2.gz PEFHJSHXFNIHSO-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCOC2)CC[NH+]1C ZINC000438105835 201389670 /nfs/dbraw/zinc/38/96/70/201389670.db2.gz PEFHJSHXFNIHSO-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCOC2)CC[NH+]1C ZINC000438105835 201389673 /nfs/dbraw/zinc/38/96/73/201389673.db2.gz PEFHJSHXFNIHSO-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP [NH3+]CC(F)(F)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000332430406 181357202 /nfs/dbraw/zinc/35/72/02/181357202.db2.gz VDHVMHFBSAGJTE-HBNTYKKESA-N 2 1 247.333 1.091 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCO1 ZINC000398948514 364202123 /nfs/dbraw/zinc/20/21/23/364202123.db2.gz AUPLNLCSAGTSBA-RHYQMDGZSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000398952613 364279448 /nfs/dbraw/zinc/27/94/48/364279448.db2.gz FHBAKEDCGOJWGQ-HBNTYKKESA-N 2 1 200.326 1.142 20 0 BDADMP CC[NH+](CC)Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000630596485 364310333 /nfs/dbraw/zinc/31/03/33/364310333.db2.gz OPEWHDLZPIIDKC-LBPRGKRZSA-N 2 1 237.351 1.044 20 0 BDADMP COC1(C[NH2+][C@H]2CC[C@@H](C)NC2)CCCC1 ZINC000399072721 364780891 /nfs/dbraw/zinc/78/08/91/364780891.db2.gz OJMGZNQCWFRERR-NEPJUHHUSA-N 2 1 226.364 1.676 20 0 BDADMP COC1(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCCC1 ZINC000399072721 364780895 /nfs/dbraw/zinc/78/08/95/364780895.db2.gz OJMGZNQCWFRERR-NEPJUHHUSA-N 2 1 226.364 1.676 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000328317588 364826107 /nfs/dbraw/zinc/82/61/07/364826107.db2.gz CVZLSHZRIXVGMF-MJBXVCDLSA-N 2 1 238.375 1.223 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000328533578 364868915 /nfs/dbraw/zinc/86/89/15/364868915.db2.gz ZCNUTKSFCHQFGP-FDYHWXHSSA-N 2 1 226.364 1.207 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000574188349 365006961 /nfs/dbraw/zinc/00/69/61/365006961.db2.gz BBJVXDOILGNKQP-GXTWGEPZSA-N 3 1 239.407 1.306 20 0 BDADMP [NH3+]CCC[NH2+]Cc1cc(F)ccc1F ZINC000037713599 181383640 /nfs/dbraw/zinc/38/36/40/181383640.db2.gz HFUCZSFITOYRFC-UHFFFAOYSA-N 2 1 200.232 1.403 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CCCCC(C)(C)C1 ZINC000574529364 365083225 /nfs/dbraw/zinc/08/32/25/365083225.db2.gz CITFKJNXVQLZHU-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC(C)(C)C1 ZINC000574529364 365083227 /nfs/dbraw/zinc/08/32/27/365083227.db2.gz CITFKJNXVQLZHU-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC(C)(C)C1 ZINC000574529364 365083231 /nfs/dbraw/zinc/08/32/31/365083231.db2.gz CITFKJNXVQLZHU-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC(C)(C)C1 ZINC000574529364 365083234 /nfs/dbraw/zinc/08/32/34/365083234.db2.gz CITFKJNXVQLZHU-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC(C)(C)C1 ZINC000574529364 365083239 /nfs/dbraw/zinc/08/32/39/365083239.db2.gz CITFKJNXVQLZHU-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP NCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037713028 181396933 /nfs/dbraw/zinc/39/69/33/181396933.db2.gz WTKWUSPQJJLVFK-GFCCVEGCSA-N 2 1 208.280 1.825 20 0 BDADMP [NH3+]CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037713028 181396934 /nfs/dbraw/zinc/39/69/34/181396934.db2.gz WTKWUSPQJJLVFK-GFCCVEGCSA-N 2 1 208.280 1.825 20 0 BDADMP CC[C@@H](F)C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000575192771 365236223 /nfs/dbraw/zinc/23/62/23/365236223.db2.gz MPZDCXNFKSIMKW-GRYCIOLGSA-N 2 1 214.328 1.903 20 0 BDADMP CC[C@@H](F)C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000575192771 365236229 /nfs/dbraw/zinc/23/62/29/365236229.db2.gz MPZDCXNFKSIMKW-GRYCIOLGSA-N 2 1 214.328 1.903 20 0 BDADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCC[NH3+])o1 ZINC000575923091 365414922 /nfs/dbraw/zinc/41/49/22/365414922.db2.gz WBVUBEQZXKCMER-UHFFFAOYSA-N 2 1 248.330 1.759 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1(C)C ZINC000399090439 365431205 /nfs/dbraw/zinc/43/12/05/365431205.db2.gz WMRGFFQIVNRSPS-MROQNXINSA-N 2 1 240.391 1.920 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)CC[N@H+]1C ZINC000576203766 365520049 /nfs/dbraw/zinc/52/00/49/365520049.db2.gz QKTZEQDOXVQSFT-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360242549 366917488 /nfs/dbraw/zinc/91/74/88/366917488.db2.gz PIEQDAZPTBSEOY-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360242549 366917494 /nfs/dbraw/zinc/91/74/94/366917494.db2.gz PIEQDAZPTBSEOY-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000360242549 366917500 /nfs/dbraw/zinc/91/75/00/366917500.db2.gz PIEQDAZPTBSEOY-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000360242549 366917505 /nfs/dbraw/zinc/91/75/05/366917505.db2.gz PIEQDAZPTBSEOY-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000183171849 366983990 /nfs/dbraw/zinc/98/39/90/366983990.db2.gz KJOBUBXFLYATAZ-ZDUSSCGKSA-N 2 1 236.363 1.299 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000380321512 367177688 /nfs/dbraw/zinc/17/76/88/367177688.db2.gz KPTWKOUKPQMKMT-AGIUHOORSA-N 2 1 210.365 1.962 20 0 BDADMP CC[C@@H](CSC)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000380973988 367327791 /nfs/dbraw/zinc/32/77/91/367327791.db2.gz BBKGLIKOEHVKCQ-NWDGAFQWSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@@H](CSC)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000380973988 367327796 /nfs/dbraw/zinc/32/77/96/367327796.db2.gz BBKGLIKOEHVKCQ-NWDGAFQWSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@@H](CSC)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000380973988 367327800 /nfs/dbraw/zinc/32/78/00/367327800.db2.gz BBKGLIKOEHVKCQ-NWDGAFQWSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@@H](CSC)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000380973988 367327807 /nfs/dbraw/zinc/32/78/07/367327807.db2.gz BBKGLIKOEHVKCQ-NWDGAFQWSA-N 2 1 248.436 1.372 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CCCOC1 ZINC000381354409 367386553 /nfs/dbraw/zinc/38/65/53/367386553.db2.gz CAXILOIFHYMSSX-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000381354410 367386811 /nfs/dbraw/zinc/38/68/11/367386811.db2.gz CAXILOIFHYMSSX-VOAKCMCISA-N 2 1 226.364 1.484 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc2c[nH]nc2c1 ZINC000382062905 367483265 /nfs/dbraw/zinc/48/32/65/367483265.db2.gz GVTDBASNXDICJI-UHFFFAOYSA-N 2 1 218.304 1.344 20 0 BDADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000381745153 367453296 /nfs/dbraw/zinc/45/32/96/367453296.db2.gz PWDVBEXTHIIRLC-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccncc1 ZINC000382585391 367545014 /nfs/dbraw/zinc/54/50/14/367545014.db2.gz RWPYQNZMAOOUSH-LLVKDONJSA-N 2 1 219.332 1.874 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCC1 ZINC000382771687 367554045 /nfs/dbraw/zinc/55/40/45/367554045.db2.gz LZDAGZOCGUKSNV-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]CC1 ZINC000383280610 367610855 /nfs/dbraw/zinc/61/08/55/367610855.db2.gz IJBYSJRBHCTZJV-IHRRRGAJSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000383797607 367654792 /nfs/dbraw/zinc/65/47/92/367654792.db2.gz SEPOQSPWDPYURY-OBJOEFQTSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000383797607 367654799 /nfs/dbraw/zinc/65/47/99/367654799.db2.gz SEPOQSPWDPYURY-OBJOEFQTSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000384566457 367700708 /nfs/dbraw/zinc/70/07/08/367700708.db2.gz ILPPGGHIPBEFDW-FOGDFJRCSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000384435165 367691374 /nfs/dbraw/zinc/69/13/74/367691374.db2.gz DQHBUUSFFWORFS-WDEREUQCSA-N 2 1 216.369 1.323 20 0 BDADMP Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000385041701 367776638 /nfs/dbraw/zinc/77/66/38/367776638.db2.gz OCJVQOWEBUDJMT-GXTWGEPZSA-N 2 1 233.359 1.949 20 0 BDADMP C[N@@H+](CCCOCC(F)(F)F)C1CC([NH3+])C1 ZINC000385091714 367788225 /nfs/dbraw/zinc/78/82/25/367788225.db2.gz YCWIFQLEQDRKLB-UHFFFAOYSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cn[nH]c1 ZINC000581860468 367848857 /nfs/dbraw/zinc/84/88/57/367848857.db2.gz PYGBTMOWGWBCHU-AAEUAGOBSA-N 2 1 236.363 1.935 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cn[nH]c1 ZINC000581860468 367848864 /nfs/dbraw/zinc/84/88/64/367848864.db2.gz PYGBTMOWGWBCHU-AAEUAGOBSA-N 2 1 236.363 1.935 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000386091178 367911478 /nfs/dbraw/zinc/91/14/78/367911478.db2.gz IEVBZJONANWBRZ-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H](CSC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000566214928 326015864 /nfs/dbraw/zinc/01/58/64/326015864.db2.gz ZKZZPXBBMFJQJC-WDEREUQCSA-N 2 1 232.393 1.000 20 0 BDADMP C[C@@H](CSC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000566214928 326015866 /nfs/dbraw/zinc/01/58/66/326015866.db2.gz ZKZZPXBBMFJQJC-WDEREUQCSA-N 2 1 232.393 1.000 20 0 BDADMP CC[N@@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386575480 367993979 /nfs/dbraw/zinc/99/39/79/367993979.db2.gz NBHLPOKCNABZMG-NEPJUHHUSA-N 2 1 213.369 1.058 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386626578 368002754 /nfs/dbraw/zinc/00/27/54/368002754.db2.gz ZBPMNZRBDOMQHV-YNEHKIRRSA-N 2 1 228.380 1.514 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566244666 326022742 /nfs/dbraw/zinc/02/27/42/326022742.db2.gz NPWUPEHQDXRDII-LBPRGKRZSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CCNCC1 ZINC000566244666 326022746 /nfs/dbraw/zinc/02/27/46/326022746.db2.gz NPWUPEHQDXRDII-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCNCC1 ZINC000566244666 326022749 /nfs/dbraw/zinc/02/27/49/326022749.db2.gz NPWUPEHQDXRDII-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C[NH2+]1 ZINC000399255649 368047464 /nfs/dbraw/zinc/04/74/64/368047464.db2.gz ZRWMARUUHFEZHX-WYUUTHIRSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)O1 ZINC000252866633 368161154 /nfs/dbraw/zinc/16/11/54/368161154.db2.gz QLQLWIOACUPGDD-BJJPWKGXSA-N 2 1 238.375 1.613 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccnc1 ZINC000069754227 368758170 /nfs/dbraw/zinc/75/81/70/368758170.db2.gz YMDLMDGOJIBEBN-UHFFFAOYSA-N 2 1 230.315 1.766 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656857 368996681 /nfs/dbraw/zinc/99/66/81/368996681.db2.gz DJFYVXLHUQYUQF-CYBMUJFWSA-N 2 1 248.374 1.805 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000623656857 368996685 /nfs/dbraw/zinc/99/66/85/368996685.db2.gz DJFYVXLHUQYUQF-CYBMUJFWSA-N 2 1 248.374 1.805 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000623657231 368997136 /nfs/dbraw/zinc/99/71/36/368997136.db2.gz LSWQXAYDKFHDEC-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000631830680 369009207 /nfs/dbraw/zinc/00/92/07/369009207.db2.gz YWSDOPVFFKJBHP-MELADBBJSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000623655867 368991388 /nfs/dbraw/zinc/99/13/88/368991388.db2.gz HUQJDWARACYUHJ-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623655867 368991392 /nfs/dbraw/zinc/99/13/92/368991392.db2.gz HUQJDWARACYUHJ-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655867 368991395 /nfs/dbraw/zinc/99/13/95/368991395.db2.gz HUQJDWARACYUHJ-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655867 368991398 /nfs/dbraw/zinc/99/13/98/368991398.db2.gz HUQJDWARACYUHJ-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655867 368991401 /nfs/dbraw/zinc/99/14/01/368991401.db2.gz HUQJDWARACYUHJ-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631836494 369080329 /nfs/dbraw/zinc/08/03/29/369080329.db2.gz AFOMYUMHUMIWRH-TZMCWYRMSA-N 2 1 239.407 1.293 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000459358583 203266578 /nfs/dbraw/zinc/26/65/78/203266578.db2.gz BHGUNCJDHYMXCJ-DYEKYZERSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000459358584 203266938 /nfs/dbraw/zinc/26/69/38/203266938.db2.gz BHGUNCJDHYMXCJ-MBNYWOFBSA-N 2 1 238.375 1.316 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](C)O)C[C@H]1C ZINC000459356595 203268145 /nfs/dbraw/zinc/26/81/45/203268145.db2.gz LNZMECABCNOBID-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000459382365 203270128 /nfs/dbraw/zinc/27/01/28/203270128.db2.gz SYKDGORQPBJIEC-QJPTWQEYSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000459382365 203270131 /nfs/dbraw/zinc/27/01/31/203270131.db2.gz SYKDGORQPBJIEC-QJPTWQEYSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000459382365 203270135 /nfs/dbraw/zinc/27/01/35/203270135.db2.gz SYKDGORQPBJIEC-QJPTWQEYSA-N 2 1 214.353 1.029 20 0 BDADMP C[NH+](C)CC(C)(C)NCC[C@@H]1CCC[N@H+]1C ZINC000459551565 203298446 /nfs/dbraw/zinc/29/84/46/203298446.db2.gz SFUWGQBPACLPQI-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc[nH]c2)C1 ZINC000459732819 203344765 /nfs/dbraw/zinc/34/47/65/203344765.db2.gz NBFATLXYFBUYHI-LBPRGKRZSA-N 2 1 221.348 1.836 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000568180937 326321810 /nfs/dbraw/zinc/32/18/10/326321810.db2.gz GRFRIMGAOIQHOG-NDBYEHHHSA-N 2 1 226.364 1.077 20 0 BDADMP c1ccc(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631867375 370223794 /nfs/dbraw/zinc/22/37/94/370223794.db2.gz SECNAKFLYXODJI-CABCVRRESA-N 2 1 230.355 1.961 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000568261430 326336838 /nfs/dbraw/zinc/33/68/38/326336838.db2.gz UMEMEEMSPWFOBP-CHWSQXEVSA-N 2 1 226.364 1.172 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccn1 ZINC000621774520 370519905 /nfs/dbraw/zinc/51/99/05/370519905.db2.gz WFLNJOMUNDWTIV-GXTWGEPZSA-N 2 1 233.359 1.949 20 0 BDADMP CCCCOCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779304 370529277 /nfs/dbraw/zinc/52/92/77/370529277.db2.gz COTVNKOAGKRFOA-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779304 370529282 /nfs/dbraw/zinc/52/92/82/370529282.db2.gz COTVNKOAGKRFOA-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000623867090 371134834 /nfs/dbraw/zinc/13/48/34/371134834.db2.gz QQJQFOGHRXIEGW-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCSC)[C@H](C)C1 ZINC000154756556 371159665 /nfs/dbraw/zinc/15/96/65/371159665.db2.gz KWWOFWUPDSJOMM-GHMZBOCLSA-N 2 1 216.394 1.669 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631057139 371181818 /nfs/dbraw/zinc/18/18/18/371181818.db2.gz YGYHNRQVMJIKOD-ZDUSSCGKSA-N 2 1 249.358 1.607 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)on1 ZINC000631063222 371236246 /nfs/dbraw/zinc/23/62/46/371236246.db2.gz IUEBMBGTWIJNKH-SNVBAGLBSA-N 2 1 248.330 1.914 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccn1 ZINC000391311147 371282923 /nfs/dbraw/zinc/28/29/23/371282923.db2.gz IYZRWHYCDPJVPR-ZWNOBZJWSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccn1 ZINC000391311147 371282929 /nfs/dbraw/zinc/28/29/29/371282929.db2.gz IYZRWHYCDPJVPR-ZWNOBZJWSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000624120537 371321324 /nfs/dbraw/zinc/32/13/24/371321324.db2.gz BKGAUVXZRUMSKN-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121316 371321407 /nfs/dbraw/zinc/32/14/07/371321407.db2.gz SZQOJTOIUDOCBT-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000624124140 371324377 /nfs/dbraw/zinc/32/43/77/371324377.db2.gz YHYMGVRBLXJBCG-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cn[nH]c1 ZINC000624123254 371324741 /nfs/dbraw/zinc/32/47/41/371324741.db2.gz ITGNAOGVVGEAAV-NEPJUHHUSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000624123254 371324746 /nfs/dbraw/zinc/32/47/46/371324746.db2.gz ITGNAOGVVGEAAV-NEPJUHHUSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@H](C[NH2+]Cc1cn[nH]c1)C[NH+]1CCCCC1 ZINC000624214729 371401150 /nfs/dbraw/zinc/40/11/50/371401150.db2.gz BOGKKJFHUFBBHJ-GFCCVEGCSA-N 2 1 236.363 1.621 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000624309599 371471856 /nfs/dbraw/zinc/47/18/56/371471856.db2.gz RSMXPCCUVOPGBK-FQUUOJAGSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(CCOC2)C1 ZINC000163263215 371962256 /nfs/dbraw/zinc/96/22/56/371962256.db2.gz POZQOGOLHROHTF-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000163263215 371962258 /nfs/dbraw/zinc/96/22/58/371962258.db2.gz POZQOGOLHROHTF-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000163263215 371962260 /nfs/dbraw/zinc/96/22/60/371962260.db2.gz POZQOGOLHROHTF-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2O)CC1(C)C ZINC000631250901 372260541 /nfs/dbraw/zinc/26/05/41/372260541.db2.gz CBZGSMRXIRICSH-WOPDTQHZSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)F)CC[N@@H+]1C ZINC000631657512 372483917 /nfs/dbraw/zinc/48/39/17/372483917.db2.gz DPEPEJPWZUYUAO-ZJUUUORDSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)F)CC[N@H+]1C ZINC000631657512 372483920 /nfs/dbraw/zinc/48/39/20/372483920.db2.gz DPEPEJPWZUYUAO-ZJUUUORDSA-N 2 1 202.317 1.807 20 0 BDADMP C([C@@H]1CCCCO1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820778 372592989 /nfs/dbraw/zinc/59/29/89/372592989.db2.gz FWMSZRLIXCGLQU-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822080 372598279 /nfs/dbraw/zinc/59/82/79/372598279.db2.gz SDIBYOXXGHSFMP-LOWDOPEQSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822080 372598280 /nfs/dbraw/zinc/59/82/80/372598280.db2.gz SDIBYOXXGHSFMP-LOWDOPEQSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000631822621 372598931 /nfs/dbraw/zinc/59/89/31/372598931.db2.gz JMICQCRONFGKOL-JBLDHEPKSA-N 2 1 212.337 1.128 20 0 BDADMP C([C@@H]1CCCCO1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000631828486 372607811 /nfs/dbraw/zinc/60/78/11/372607811.db2.gz PZXPSOFNYSVKAI-LBPRGKRZSA-N 2 1 224.348 1.383 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829638 372611129 /nfs/dbraw/zinc/61/11/29/372611129.db2.gz WNSIVSKVZWOFPN-RFGFWPKPSA-N 2 1 238.375 1.472 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000631829657 372613221 /nfs/dbraw/zinc/61/32/21/372613221.db2.gz WZYAIWYTKQNGMI-YIYPIFLZSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000631830531 372613340 /nfs/dbraw/zinc/61/33/40/372613340.db2.gz UZRMBZNSXJWZLB-LOWDOPEQSA-N 2 1 224.348 1.225 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000631833607 372618347 /nfs/dbraw/zinc/61/83/47/372618347.db2.gz DRGJAJXFGGRDON-CQSZACIVSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+][C@@H]1CCCCCN(CCC2CC[NH2+]CC2)C1 ZINC000631833607 372618351 /nfs/dbraw/zinc/61/83/51/372618351.db2.gz DRGJAJXFGGRDON-CQSZACIVSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000631834692 372620179 /nfs/dbraw/zinc/62/01/79/372620179.db2.gz DEXKVVSEUQDOAF-CHWSQXEVSA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000631834692 372620183 /nfs/dbraw/zinc/62/01/83/372620183.db2.gz DEXKVVSEUQDOAF-CHWSQXEVSA-N 2 1 226.364 1.759 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000631840757 372636443 /nfs/dbraw/zinc/63/64/43/372636443.db2.gz VGJMSUJULZLNQX-CMPLNLGQSA-N 2 1 205.305 1.108 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841053 372637825 /nfs/dbraw/zinc/63/78/25/372637825.db2.gz XNCBJRYFVSRNOG-NQBHXWOUSA-N 2 1 219.332 1.669 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000631861450 372661776 /nfs/dbraw/zinc/66/17/76/372661776.db2.gz BNTSWGUKFKTLDW-ZMLRMANQSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000631861450 372661779 /nfs/dbraw/zinc/66/17/79/372661779.db2.gz BNTSWGUKFKTLDW-ZMLRMANQSA-N 2 1 212.337 1.223 20 0 BDADMP C(CC1CC[NH2+]CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868075 372670701 /nfs/dbraw/zinc/67/07/01/372670701.db2.gz VTEGUPHNYQEPQW-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP COCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890082 372684059 /nfs/dbraw/zinc/68/40/59/372684059.db2.gz LZXDMOWLJNOQSO-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP COCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890082 372684067 /nfs/dbraw/zinc/68/40/67/372684067.db2.gz LZXDMOWLJNOQSO-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890095 372685883 /nfs/dbraw/zinc/68/58/83/372685883.db2.gz MCWNEHULHGQGNZ-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890900 372687230 /nfs/dbraw/zinc/68/72/30/372687230.db2.gz ULAQVZPTWJLAMY-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCOCC2)CCN1C ZINC000172845311 373092814 /nfs/dbraw/zinc/09/28/14/373092814.db2.gz SRBFDNSUFICKBM-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCOCC2)CC[N@@H+]1C ZINC000172845311 373092818 /nfs/dbraw/zinc/09/28/18/373092818.db2.gz SRBFDNSUFICKBM-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCOCC2)CC[N@H+]1C ZINC000172845311 373092823 /nfs/dbraw/zinc/09/28/23/373092823.db2.gz SRBFDNSUFICKBM-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCOCC2)CC[NH+]1C ZINC000172845311 373092825 /nfs/dbraw/zinc/09/28/25/373092825.db2.gz SRBFDNSUFICKBM-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCOCC2)CC[NH+]1C ZINC000172845311 373092830 /nfs/dbraw/zinc/09/28/30/373092830.db2.gz SRBFDNSUFICKBM-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000182056016 205668289 /nfs/dbraw/zinc/66/82/89/205668289.db2.gz LZFXFIAQOPZHFG-JTQLQIEISA-N 2 1 200.326 1.047 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(NCCCC[NH3+])n1 ZINC000420231431 206024170 /nfs/dbraw/zinc/02/41/70/206024170.db2.gz KGSFOXUUXKNAHZ-UHFFFAOYSA-N 2 1 246.318 1.122 20 0 BDADMP CCc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000450449893 206103711 /nfs/dbraw/zinc/10/37/11/206103711.db2.gz FRHFIBPSMLRFRW-LBPRGKRZSA-N 2 1 249.358 1.147 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178972823 134314361 /nfs/dbraw/zinc/31/43/61/134314361.db2.gz GYZOKNVCVRMAQA-AWEZNQCLSA-N 2 1 240.391 1.733 20 0 BDADMP OC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132257753 183107776 /nfs/dbraw/zinc/10/77/76/183107776.db2.gz LRTLEFDXKDOVKW-TZMCWYRMSA-N 2 1 234.343 1.309 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCCC[NH+](C)C(C)C ZINC000359340640 169070564 /nfs/dbraw/zinc/07/05/64/169070564.db2.gz LGLBLIXXXYYHLM-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NCCC[N@H+](C)C(C)C ZINC000359340640 169070566 /nfs/dbraw/zinc/07/05/66/169070566.db2.gz LGLBLIXXXYYHLM-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NCCC[N@@H+](C)C(C)C ZINC000359340640 169070568 /nfs/dbraw/zinc/07/05/68/169070568.db2.gz LGLBLIXXXYYHLM-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC000336701867 169077378 /nfs/dbraw/zinc/07/73/78/169077378.db2.gz JYTVYSSVAOGTKD-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336701867 169077379 /nfs/dbraw/zinc/07/73/79/169077379.db2.gz JYTVYSSVAOGTKD-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336701867 169077380 /nfs/dbraw/zinc/07/73/80/169077380.db2.gz JYTVYSSVAOGTKD-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128026242 183189435 /nfs/dbraw/zinc/18/94/35/183189435.db2.gz LQGUNSNPUSZUJB-YIYPIFLZSA-N 2 1 238.375 1.506 20 0 BDADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCOC2)C1 ZINC000336662537 169079624 /nfs/dbraw/zinc/07/96/24/169079624.db2.gz CIRDLBXBFAMQBG-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCOC2)C1 ZINC000336662537 169079626 /nfs/dbraw/zinc/07/96/26/169079626.db2.gz CIRDLBXBFAMQBG-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000336662537 169079627 /nfs/dbraw/zinc/07/96/27/169079627.db2.gz CIRDLBXBFAMQBG-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 ZINC000336662537 169079629 /nfs/dbraw/zinc/07/96/29/169079629.db2.gz CIRDLBXBFAMQBG-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000226406809 169120332 /nfs/dbraw/zinc/12/03/32/169120332.db2.gz NCHATSLYTYTWDX-LBPRGKRZSA-N 2 1 243.395 1.208 20 0 BDADMP c1[nH]nc2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000333234861 183320192 /nfs/dbraw/zinc/32/01/92/183320192.db2.gz CVHAWEYMLGWHQH-RYUDHWBXSA-N 2 1 234.347 1.519 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@H](C)C[NH3+])CC1 ZINC000309013358 169188640 /nfs/dbraw/zinc/18/86/40/169188640.db2.gz YHYJUHWAYPUJGW-LLVKDONJSA-N 3 1 213.369 1.045 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000336764431 169209259 /nfs/dbraw/zinc/20/92/59/169209259.db2.gz PXSSUWJPSMANDS-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256498 169211417 /nfs/dbraw/zinc/21/14/17/169211417.db2.gz LGGQIRCURAUPAC-UPJWGTAASA-N 2 1 208.349 1.813 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256498 169211419 /nfs/dbraw/zinc/21/14/19/169211419.db2.gz LGGQIRCURAUPAC-UPJWGTAASA-N 2 1 208.349 1.813 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256498 169211421 /nfs/dbraw/zinc/21/14/21/169211421.db2.gz LGGQIRCURAUPAC-UPJWGTAASA-N 2 1 208.349 1.813 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CCC)CC1 ZINC000370782200 169388299 /nfs/dbraw/zinc/38/82/99/169388299.db2.gz RZUYTUKRWZABEK-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H]1CCC[C@H](CO)[N@H+]1CCCn1ccnc1 ZINC000181402806 134336150 /nfs/dbraw/zinc/33/61/50/134336150.db2.gz GGSOPCSISLJDLL-CHWSQXEVSA-N 2 1 237.347 1.509 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)OC)[C@@H](C)C1 ZINC000224571754 134348688 /nfs/dbraw/zinc/34/86/88/134348688.db2.gz GHASHWZEUONMTI-NWDGAFQWSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC1CC[NH+](C)CC1 ZINC000226318232 134360355 /nfs/dbraw/zinc/36/03/55/134360355.db2.gz OJZHXRFVNMJZQX-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP CC(C)CCC[N@@H+](C)CCOCC[NH3+] ZINC000301013127 383842638 /nfs/dbraw/zinc/84/26/38/383842638.db2.gz GYZOEMRRYHOYSG-UHFFFAOYSA-N 2 1 202.342 1.330 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000309328938 383880045 /nfs/dbraw/zinc/88/00/45/383880045.db2.gz HGYPIKBXHMEASL-AVGNSLFASA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000309328938 383880051 /nfs/dbraw/zinc/88/00/51/383880051.db2.gz HGYPIKBXHMEASL-AVGNSLFASA-N 2 1 228.380 1.730 20 0 BDADMP c1ccc2[nH+]c(NC[C@@H]3CC[NH2+]C3)[nH]c2c1 ZINC000087655227 383860145 /nfs/dbraw/zinc/86/01/45/383860145.db2.gz JIMOZSDWLQXJIW-SECBINFHSA-N 2 1 216.288 1.584 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313090356 383867335 /nfs/dbraw/zinc/86/73/35/383867335.db2.gz ACQLIBKQBBEQLB-MQYQWHSLSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COCC2(C)C)CC[N@@H+]1C ZINC000313121841 383908284 /nfs/dbraw/zinc/90/82/84/383908284.db2.gz LFLHNYXWWQUJMW-WOPDTQHZSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COCC2(C)C)CC[N@H+]1C ZINC000313121841 383908291 /nfs/dbraw/zinc/90/82/91/383908291.db2.gz LFLHNYXWWQUJMW-WOPDTQHZSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@@H](C)C[NH2+]CCC[N@@H+](C)C(C)C ZINC000220565350 383883008 /nfs/dbraw/zinc/88/30/08/383883008.db2.gz BAKNOOMEROTBOI-LBPRGKRZSA-N 2 1 216.369 1.589 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541904 383941544 /nfs/dbraw/zinc/94/15/44/383941544.db2.gz PCDNVGVRGBBJGV-ZYHUDNBSSA-N 2 1 236.363 1.901 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070911435 383959997 /nfs/dbraw/zinc/95/99/97/383959997.db2.gz SWQJYOPGFQXUOB-DTWKUNHWSA-N 2 1 224.270 1.998 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070911442 383960175 /nfs/dbraw/zinc/96/01/75/383960175.db2.gz SWQJYOPGFQXUOB-RKDXNWHRSA-N 2 1 224.270 1.998 20 0 BDADMP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000313156897 383966250 /nfs/dbraw/zinc/96/62/50/383966250.db2.gz ODMCRFVZHKZOTP-QWHCGFSZSA-N 2 1 228.380 1.610 20 0 BDADMP Cc1ccnc(N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292447487 384042677 /nfs/dbraw/zinc/04/26/77/384042677.db2.gz YYEGKGMPUBBZQV-AWEZNQCLSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292447487 384042682 /nfs/dbraw/zinc/04/26/82/384042682.db2.gz YYEGKGMPUBBZQV-AWEZNQCLSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292447487 384042690 /nfs/dbraw/zinc/04/26/90/384042690.db2.gz YYEGKGMPUBBZQV-AWEZNQCLSA-N 2 1 231.343 1.922 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119956862 384034367 /nfs/dbraw/zinc/03/43/67/384034367.db2.gz CYVUCRULXCJEKB-ZWNOBZJWSA-N 2 1 224.348 1.380 20 0 BDADMP CC[N@@H+](CCO)CC[C@@H]1CCCC[NH+]1C ZINC000049754617 384037426 /nfs/dbraw/zinc/03/74/26/384037426.db2.gz FKQVRLQBOKXBES-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000049754617 384037429 /nfs/dbraw/zinc/03/74/29/384037429.db2.gz FKQVRLQBOKXBES-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CCO)CC[C@@H]1CCCC[N@H+]1C ZINC000049754617 384037432 /nfs/dbraw/zinc/03/74/32/384037432.db2.gz FKQVRLQBOKXBES-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCOC1 ZINC000310198564 384077554 /nfs/dbraw/zinc/07/75/54/384077554.db2.gz ZXQISERLTVHSQC-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCOC1 ZINC000310198564 384077557 /nfs/dbraw/zinc/07/75/57/384077557.db2.gz ZXQISERLTVHSQC-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP Cn1cc(CCC[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000314550146 384114174 /nfs/dbraw/zinc/11/41/74/384114174.db2.gz RTQALPVHTKUVDT-UHFFFAOYSA-N 2 1 248.374 1.204 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000310498654 384179337 /nfs/dbraw/zinc/17/93/37/384179337.db2.gz LGYQFLLEJMCYGN-FZMZJTMJSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]([NH2+]CCC1CC1)c1c[nH+]ccc1N ZINC000422916467 384216360 /nfs/dbraw/zinc/21/63/60/384216360.db2.gz ARJZQKMDBNALRS-VIFPVBQESA-N 2 1 205.305 1.945 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000069626945 384247473 /nfs/dbraw/zinc/24/74/73/384247473.db2.gz BMZOIXQLSXRUND-GHMZBOCLSA-N 2 1 223.320 1.542 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000069626945 384247476 /nfs/dbraw/zinc/24/74/76/384247476.db2.gz BMZOIXQLSXRUND-GHMZBOCLSA-N 2 1 223.320 1.542 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2(OC)CCCC2)C1 ZINC000319461191 384250209 /nfs/dbraw/zinc/25/02/09/384250209.db2.gz OZHIJWLRROJZPT-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471493 384258042 /nfs/dbraw/zinc/25/80/42/384258042.db2.gz XPJKLPCOWUGVSN-IACUBPJLSA-N 2 1 249.358 1.851 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccn2C)C1 ZINC000093770695 384267775 /nfs/dbraw/zinc/26/77/75/384267775.db2.gz GPFRIRXGVDAHCO-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccn2C)C1 ZINC000093770695 384267780 /nfs/dbraw/zinc/26/77/80/384267780.db2.gz GPFRIRXGVDAHCO-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000093770695 384267783 /nfs/dbraw/zinc/26/77/83/384267783.db2.gz GPFRIRXGVDAHCO-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000093770695 384267785 /nfs/dbraw/zinc/26/77/85/384267785.db2.gz GPFRIRXGVDAHCO-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CCC(F)(F)C2)CC[NH2+]1 ZINC000313334020 384268466 /nfs/dbraw/zinc/26/84/66/384268466.db2.gz DEYQQXHNWRKXET-NXEZZACHSA-N 2 1 218.291 1.716 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC(F)(F)C2)CC[NH2+]1 ZINC000313334020 384268470 /nfs/dbraw/zinc/26/84/70/384268470.db2.gz DEYQQXHNWRKXET-NXEZZACHSA-N 2 1 218.291 1.716 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174210837 384308831 /nfs/dbraw/zinc/30/88/31/384308831.db2.gz PZJICEQLUCNXIF-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](CCCCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000352699659 384311942 /nfs/dbraw/zinc/31/19/42/384311942.db2.gz BRBBEIRHNUCZRF-GFCCVEGCSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC3(O)CCC3)C2)C1 ZINC000335473944 384290686 /nfs/dbraw/zinc/29/06/86/384290686.db2.gz FWAYGLLNKLFXNB-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC3(O)CCC3)C2)C1 ZINC000335473944 384290690 /nfs/dbraw/zinc/29/06/90/384290690.db2.gz FWAYGLLNKLFXNB-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC3(O)CCC3)C2)C1 ZINC000335473944 384290694 /nfs/dbraw/zinc/29/06/94/384290694.db2.gz FWAYGLLNKLFXNB-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP COC[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173955228 384291119 /nfs/dbraw/zinc/29/11/19/384291119.db2.gz JAODHPZISLFHQD-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173955228 384291126 /nfs/dbraw/zinc/29/11/26/384291126.db2.gz JAODHPZISLFHQD-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173955228 384291129 /nfs/dbraw/zinc/29/11/29/384291129.db2.gz JAODHPZISLFHQD-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)nc1 ZINC000405445953 384342452 /nfs/dbraw/zinc/34/24/52/384342452.db2.gz FPHAYSQJMKITDT-NEPJUHHUSA-N 2 1 219.332 1.605 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000234454142 384354295 /nfs/dbraw/zinc/35/42/95/384354295.db2.gz DGHJGBNOKDFKNO-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000234454142 384354299 /nfs/dbraw/zinc/35/42/99/384354299.db2.gz DGHJGBNOKDFKNO-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000566412116 384398062 /nfs/dbraw/zinc/39/80/62/384398062.db2.gz CCQVMAVRXWQPME-MNOVXSKESA-N 2 1 228.336 1.140 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566412118 384398243 /nfs/dbraw/zinc/39/82/43/384398243.db2.gz CCQVMAVRXWQPME-WDEREUQCSA-N 2 1 228.336 1.140 20 0 BDADMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000647512005 384400351 /nfs/dbraw/zinc/40/03/51/384400351.db2.gz YXXMUAZJACWIHT-RWMBFGLXSA-N 2 1 246.358 1.053 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])on1 ZINC000084221113 384378138 /nfs/dbraw/zinc/37/81/38/384378138.db2.gz HHGRKWCNOMCUQE-KOLCDFICSA-N 2 1 209.293 1.200 20 0 BDADMP C[C@@H](C[NH2+]Cc1cncnc1)C[NH+]1CCCC1 ZINC000062079005 384450995 /nfs/dbraw/zinc/45/09/95/384450995.db2.gz UMVJKVRQONBKTL-LBPRGKRZSA-N 2 1 234.347 1.298 20 0 BDADMP C[C@H](O)C[N@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000647514129 384431298 /nfs/dbraw/zinc/43/12/98/384431298.db2.gz NMEWSUUVQUAAGO-LBPRGKRZSA-N 2 1 236.359 1.607 20 0 BDADMP C[C@H](O)C[N@@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000647514129 384431305 /nfs/dbraw/zinc/43/13/05/384431305.db2.gz NMEWSUUVQUAAGO-LBPRGKRZSA-N 2 1 236.359 1.607 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000276205718 384438342 /nfs/dbraw/zinc/43/83/42/384438342.db2.gz AEUHDKKBFTXLDK-ZYHUDNBSSA-N 2 1 223.320 1.120 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000148561135 384469165 /nfs/dbraw/zinc/46/91/65/384469165.db2.gz OGBDGTGOKFWUIT-ZDUSSCGKSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000122121764 384458703 /nfs/dbraw/zinc/45/87/03/384458703.db2.gz QVUQVTGUCCZOPM-RYUDHWBXSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCCCC1 ZINC000150199129 384491684 /nfs/dbraw/zinc/49/16/84/384491684.db2.gz GVKXLSJPTRUKLX-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000647179658 384531097 /nfs/dbraw/zinc/53/10/97/384531097.db2.gz KCGNELDTOIMMPQ-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019843422 384546348 /nfs/dbraw/zinc/54/63/48/384546348.db2.gz FCFNXRHHFWNXTN-LBPRGKRZSA-N 2 1 205.305 1.252 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428030579 384554066 /nfs/dbraw/zinc/55/40/66/384554066.db2.gz IOEFXVGIPXTFHG-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000236712409 384558663 /nfs/dbraw/zinc/55/86/63/384558663.db2.gz OQKSSRZMUJCFNW-NEPJUHHUSA-N 2 1 243.395 1.208 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428033711 384560938 /nfs/dbraw/zinc/56/09/38/384560938.db2.gz MTYLXNOYOXAAEM-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428033711 384560946 /nfs/dbraw/zinc/56/09/46/384560946.db2.gz MTYLXNOYOXAAEM-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)CCCn1ccnc1 ZINC000050068887 384590621 /nfs/dbraw/zinc/59/06/21/384590621.db2.gz HKBDRCUGXBWSOK-LLVKDONJSA-N 2 1 239.319 1.014 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066835 384578524 /nfs/dbraw/zinc/57/85/24/384578524.db2.gz UJPLQVQKTJPVOE-MELADBBJSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066835 384578531 /nfs/dbraw/zinc/57/85/31/384578531.db2.gz UJPLQVQKTJPVOE-MELADBBJSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000304615865 384608071 /nfs/dbraw/zinc/60/80/71/384608071.db2.gz SIDDUPKRVZDWBZ-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000171594678 384610988 /nfs/dbraw/zinc/61/09/88/384610988.db2.gz JHMDXFKPOHALEN-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCN1 ZINC000647531656 384633888 /nfs/dbraw/zinc/63/38/88/384633888.db2.gz PBVLFSZABSQFCN-HZSPNIEDSA-N 2 1 239.407 1.304 20 0 BDADMP CC(C)[C@H]1CN(C[C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000647531656 384633892 /nfs/dbraw/zinc/63/38/92/384633892.db2.gz PBVLFSZABSQFCN-HZSPNIEDSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000397414453 384601642 /nfs/dbraw/zinc/60/16/42/384601642.db2.gz XILXWYUNYQLAMY-GRYCIOLGSA-N 2 1 236.363 1.225 20 0 BDADMP C[N@@H+](Cc1cscn1)CC1CC[NH+](C)CC1 ZINC000172534345 384602201 /nfs/dbraw/zinc/60/22/01/384602201.db2.gz DNCGBIQKKIRZKU-UHFFFAOYSA-N 2 1 239.388 1.917 20 0 BDADMP C[N@H+](Cc1cscn1)CC1CC[NH+](C)CC1 ZINC000172534345 384602212 /nfs/dbraw/zinc/60/22/12/384602212.db2.gz DNCGBIQKKIRZKU-UHFFFAOYSA-N 2 1 239.388 1.917 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000336657383 384666002 /nfs/dbraw/zinc/66/60/02/384666002.db2.gz LVVLFYGGMIKREI-YPMHNXCESA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336657383 384666005 /nfs/dbraw/zinc/66/60/05/384666005.db2.gz LVVLFYGGMIKREI-YPMHNXCESA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336657383 384666009 /nfs/dbraw/zinc/66/60/09/384666009.db2.gz LVVLFYGGMIKREI-YPMHNXCESA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336657383 384666014 /nfs/dbraw/zinc/66/60/14/384666014.db2.gz LVVLFYGGMIKREI-YPMHNXCESA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336657383 384666019 /nfs/dbraw/zinc/66/60/19/384666019.db2.gz LVVLFYGGMIKREI-YPMHNXCESA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccccc1 ZINC000042896793 384646008 /nfs/dbraw/zinc/64/60/08/384646008.db2.gz DQPXIWALSRBRSJ-CHWSQXEVSA-N 2 1 234.343 1.877 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000271847171 384647531 /nfs/dbraw/zinc/64/75/31/384647531.db2.gz ICFVOBFNIUIVTE-NSHDSACASA-N 2 1 234.347 1.333 20 0 BDADMP CCC[N@H+](CC(F)F)CC1CC[NH2+]CC1 ZINC000086703445 384679575 /nfs/dbraw/zinc/67/95/75/384679575.db2.gz KBSCJICYOHRBHU-UHFFFAOYSA-N 2 1 220.307 1.963 20 0 BDADMP CCC[N@@H+](CC(F)F)CC1CC[NH2+]CC1 ZINC000086703445 384679580 /nfs/dbraw/zinc/67/95/80/384679580.db2.gz KBSCJICYOHRBHU-UHFFFAOYSA-N 2 1 220.307 1.963 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335918561 384700382 /nfs/dbraw/zinc/70/03/82/384700382.db2.gz ZLPHDWKELSQZAS-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309929947 384728776 /nfs/dbraw/zinc/72/87/76/384728776.db2.gz XLDPRLKNKDWMGV-JHJVBQTASA-N 2 1 227.396 1.256 20 0 BDADMP CCC(N)(CC)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546238 384729038 /nfs/dbraw/zinc/72/90/38/384729038.db2.gz GLDRAKBMGBRFKC-RWMBFGLXSA-N 2 1 239.407 1.482 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ncc[nH]2)C1 ZINC000173903020 384732066 /nfs/dbraw/zinc/73/20/66/384732066.db2.gz JESVHQVVMBPSMZ-LLVKDONJSA-N 2 1 222.336 1.183 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000404414164 384764937 /nfs/dbraw/zinc/76/49/37/384764937.db2.gz BNFIBCNETNEZPW-NSHDSACASA-N 2 1 239.388 1.963 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000404414164 384764938 /nfs/dbraw/zinc/76/49/38/384764938.db2.gz BNFIBCNETNEZPW-NSHDSACASA-N 2 1 239.388 1.963 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOC)C1 ZINC000174211358 384766557 /nfs/dbraw/zinc/76/65/57/384766557.db2.gz AQSLVJMVQBIPNP-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOC)C1 ZINC000174211358 384766563 /nfs/dbraw/zinc/76/65/63/384766563.db2.gz AQSLVJMVQBIPNP-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP COC[C@@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000083399888 384769172 /nfs/dbraw/zinc/76/91/72/384769172.db2.gz UENNKURLWWFSJQ-GFCCVEGCSA-N 2 1 225.336 1.452 20 0 BDADMP CC(C)n1cncc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000310142320 384858165 /nfs/dbraw/zinc/85/81/65/384858165.db2.gz NESKVRQCIDLYFD-LBPRGKRZSA-N 2 1 238.379 1.751 20 0 BDADMP O=C1OCC[C@]12CCC[N@H+]2CCCn1ccnc1 ZINC000186620105 384859764 /nfs/dbraw/zinc/85/97/64/384859764.db2.gz CRDSVOLIWXHWQB-CYBMUJFWSA-N 2 1 249.314 1.055 20 0 BDADMP C[C@H](CF)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000306366862 384896649 /nfs/dbraw/zinc/89/66/49/384896649.db2.gz JWHTUYWVFHYVCL-VWYCJHECSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H](CF)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000306366862 384896655 /nfs/dbraw/zinc/89/66/55/384896655.db2.gz JWHTUYWVFHYVCL-VWYCJHECSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340162972 384900058 /nfs/dbraw/zinc/90/00/58/384900058.db2.gz HUHJSKFCPDPVPU-CFVMTHIKSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340162972 384900061 /nfs/dbraw/zinc/90/00/61/384900061.db2.gz HUHJSKFCPDPVPU-CFVMTHIKSA-N 2 1 248.370 1.792 20 0 BDADMP CC[N@H+](C)CCNc1nc(C)[nH+]c(C)c1C ZINC000301678459 384907699 /nfs/dbraw/zinc/90/76/99/384907699.db2.gz IRFQZRJVKLMKKX-UHFFFAOYSA-N 2 1 222.336 1.765 20 0 BDADMP CC[N@@H+](C)CCNc1nc(C)[nH+]c(C)c1C ZINC000301678459 384907711 /nfs/dbraw/zinc/90/77/11/384907711.db2.gz IRFQZRJVKLMKKX-UHFFFAOYSA-N 2 1 222.336 1.765 20 0 BDADMP c1cncc([C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000568512258 384908946 /nfs/dbraw/zinc/90/89/46/384908946.db2.gz RJMOLRKMHXJEOO-DZGCQCFKSA-N 2 1 245.370 1.871 20 0 BDADMP c1cncc([C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000568512264 384909418 /nfs/dbraw/zinc/90/94/18/384909418.db2.gz RJMOLRKMHXJEOO-ZFWWWQNUSA-N 2 1 245.370 1.871 20 0 BDADMP C[C@@H](CNc1cc[nH+]c(N(C)C)n1)C[NH+](C)C ZINC000310217834 384910030 /nfs/dbraw/zinc/91/00/30/384910030.db2.gz GFFOIMMAJNUVGR-JTQLQIEISA-N 2 1 237.351 1.152 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000336145830 384923144 /nfs/dbraw/zinc/92/31/44/384923144.db2.gz NKWMORNLNRXPAB-GXTWGEPZSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336145830 384923151 /nfs/dbraw/zinc/92/31/51/384923151.db2.gz NKWMORNLNRXPAB-GXTWGEPZSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336145830 384923159 /nfs/dbraw/zinc/92/31/59/384923159.db2.gz NKWMORNLNRXPAB-GXTWGEPZSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336145830 384923165 /nfs/dbraw/zinc/92/31/65/384923165.db2.gz NKWMORNLNRXPAB-GXTWGEPZSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336145830 384923169 /nfs/dbraw/zinc/92/31/69/384923169.db2.gz NKWMORNLNRXPAB-GXTWGEPZSA-N 2 1 237.391 1.178 20 0 BDADMP CCCn1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000310260350 384929906 /nfs/dbraw/zinc/92/99/06/384929906.db2.gz QIWIOKLKCQRGPT-GFCCVEGCSA-N 2 1 238.379 1.580 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000358310765 384939517 /nfs/dbraw/zinc/93/95/17/384939517.db2.gz WXRHNZLLGZYCOD-ZFWWWQNUSA-N 2 1 247.386 1.944 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccns3)C[C@H]21 ZINC000404437661 384989004 /nfs/dbraw/zinc/98/90/04/384989004.db2.gz HTIJXFIZSNFWHC-MVWJERBFSA-N 2 1 237.372 1.702 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccns3)C[C@H]21 ZINC000404437661 384989009 /nfs/dbraw/zinc/98/90/09/384989009.db2.gz HTIJXFIZSNFWHC-MVWJERBFSA-N 2 1 237.372 1.702 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CO1 ZINC000401870425 384994997 /nfs/dbraw/zinc/99/49/97/384994997.db2.gz BOJCYLBFUMJNOH-KKOKHZNYSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CO1 ZINC000401870425 384995002 /nfs/dbraw/zinc/99/50/02/384995002.db2.gz BOJCYLBFUMJNOH-KKOKHZNYSA-N 2 1 212.337 1.236 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000530651073 385006829 /nfs/dbraw/zinc/00/68/29/385006829.db2.gz CAPULXCIDFVFMB-SNVBAGLBSA-N 2 1 248.330 1.038 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC000530651073 385006832 /nfs/dbraw/zinc/00/68/32/385006832.db2.gz CAPULXCIDFVFMB-SNVBAGLBSA-N 2 1 248.330 1.038 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC000530651073 385006839 /nfs/dbraw/zinc/00/68/39/385006839.db2.gz CAPULXCIDFVFMB-SNVBAGLBSA-N 2 1 248.330 1.038 20 0 BDADMP CC[C@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)CCCO1 ZINC000300862119 385007934 /nfs/dbraw/zinc/00/79/34/385007934.db2.gz IYFHVSZFYGQJAD-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)CCCO1 ZINC000300862119 385007938 /nfs/dbraw/zinc/00/79/38/385007938.db2.gz IYFHVSZFYGQJAD-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CCSCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000130007509 385017194 /nfs/dbraw/zinc/01/71/94/385017194.db2.gz UYALTSQUKJDBFK-LLVKDONJSA-N 2 1 216.394 1.943 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000404489648 385019629 /nfs/dbraw/zinc/01/96/29/385019629.db2.gz GQQYDGSOJAYVNA-VHSXEESVSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000404489648 385019633 /nfs/dbraw/zinc/01/96/33/385019633.db2.gz GQQYDGSOJAYVNA-VHSXEESVSA-N 2 1 225.361 1.702 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)C ZINC000309100233 385051607 /nfs/dbraw/zinc/05/16/07/385051607.db2.gz GKLRPXWGZRMRKM-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000309100233 385051616 /nfs/dbraw/zinc/05/16/16/385051616.db2.gz GKLRPXWGZRMRKM-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCCOC1 ZINC000336322419 385052364 /nfs/dbraw/zinc/05/23/64/385052364.db2.gz UWHIQTMJRNQMFK-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1cccnc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404763643 385055108 /nfs/dbraw/zinc/05/51/08/385055108.db2.gz DZRGBLGWKTUCNB-RYUDHWBXSA-N 2 1 219.332 1.605 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CC1([NH+](C)C)CCCC1 ZINC000310444147 385062839 /nfs/dbraw/zinc/06/28/39/385062839.db2.gz WLNPHHOLOTVHAJ-ZDUSSCGKSA-N 3 1 241.423 1.968 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)O ZINC000340500031 385077927 /nfs/dbraw/zinc/07/79/27/385077927.db2.gz DSDHKCPFKCJTRT-LLVKDONJSA-N 2 1 214.353 1.220 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@](C)(C[NH3+])C2)c1 ZINC000234946486 385039617 /nfs/dbraw/zinc/03/96/17/385039617.db2.gz CGLLYXHGXWNHKT-CQSZACIVSA-N 2 1 249.358 1.569 20 0 BDADMP CC1(C)C[NH2+][C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000647137766 385108466 /nfs/dbraw/zinc/10/84/66/385108466.db2.gz RJYAZHFFOPCVCC-QMMMGPOBSA-N 2 1 236.319 1.468 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310536680 385110621 /nfs/dbraw/zinc/11/06/21/385110621.db2.gz RLFHAYQBMCWSJB-MELADBBJSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@@H+]1C ZINC000340521479 385088160 /nfs/dbraw/zinc/08/81/60/385088160.db2.gz FSDPOVKUYFUQII-KKOKHZNYSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@H+]1C ZINC000340521479 385088164 /nfs/dbraw/zinc/08/81/64/385088164.db2.gz FSDPOVKUYFUQII-KKOKHZNYSA-N 2 1 214.328 1.949 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188817937 385095345 /nfs/dbraw/zinc/09/53/45/385095345.db2.gz FBUJSBAXUTXKJR-YPMHNXCESA-N 2 1 249.358 1.398 20 0 BDADMP Cc1cnccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000129740922 385183822 /nfs/dbraw/zinc/18/38/22/385183822.db2.gz LRNAOYHWOBFGMC-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000178117512 385184543 /nfs/dbraw/zinc/18/45/43/385184543.db2.gz YPCJOOZUGQEMBP-MQYQWHSLSA-N 2 1 242.407 1.712 20 0 BDADMP FCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308829307 385197178 /nfs/dbraw/zinc/19/71/78/385197178.db2.gz IXJVEZKPHYLQNQ-NEPJUHHUSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@H]1C[C@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000157343909 385154099 /nfs/dbraw/zinc/15/40/99/385154099.db2.gz MKIOIJSBWTZFQU-IUCAKERBSA-N 2 1 238.335 1.494 20 0 BDADMP C[C@H]1C[C@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000157343909 385154111 /nfs/dbraw/zinc/15/41/11/385154111.db2.gz MKIOIJSBWTZFQU-IUCAKERBSA-N 2 1 238.335 1.494 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000157343765 385154665 /nfs/dbraw/zinc/15/46/65/385154665.db2.gz MKIOIJSBWTZFQU-BDAKNGLRSA-N 2 1 238.335 1.494 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000157343765 385154668 /nfs/dbraw/zinc/15/46/68/385154668.db2.gz MKIOIJSBWTZFQU-BDAKNGLRSA-N 2 1 238.335 1.494 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480266 385161910 /nfs/dbraw/zinc/16/19/10/385161910.db2.gz IDTVIGBPAMPMFR-TZMCWYRMSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480266 385161914 /nfs/dbraw/zinc/16/19/14/385161914.db2.gz IDTVIGBPAMPMFR-TZMCWYRMSA-N 2 1 248.374 1.682 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CCC[NH+]1C ZINC000252712654 385211783 /nfs/dbraw/zinc/21/17/83/385211783.db2.gz MZQCBTLRXTZREW-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000252712654 385211787 /nfs/dbraw/zinc/21/17/87/385211787.db2.gz MZQCBTLRXTZREW-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000252712654 385211794 /nfs/dbraw/zinc/21/17/94/385211794.db2.gz MZQCBTLRXTZREW-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000252712654 385211804 /nfs/dbraw/zinc/21/18/04/385211804.db2.gz MZQCBTLRXTZREW-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCOC1 ZINC000252712530 385212568 /nfs/dbraw/zinc/21/25/68/385212568.db2.gz MRENFTPBBKJRQZ-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCOC1 ZINC000252712530 385212574 /nfs/dbraw/zinc/21/25/74/385212574.db2.gz MRENFTPBBKJRQZ-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](CO)c1ccccc1 ZINC000235132252 385217461 /nfs/dbraw/zinc/21/74/61/385217461.db2.gz BIKPSKVNYQBRLS-NWANDNLSSA-N 2 1 248.370 1.840 20 0 BDADMP CC[N@@H+](CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000037632017 385236274 /nfs/dbraw/zinc/23/62/74/385236274.db2.gz NQSWPZCUTPPXIW-UHFFFAOYSA-N 2 1 239.407 1.546 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@H](C)[NH2+]C2CC2)n1 ZINC000564958928 385246216 /nfs/dbraw/zinc/24/62/16/385246216.db2.gz PKWRLJYMAGYLJB-YUMQZZPRSA-N 2 1 224.308 1.033 20 0 BDADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000336691729 385251246 /nfs/dbraw/zinc/25/12/46/385251246.db2.gz HEGRMUVDNYNBSV-CHWSQXEVSA-N 2 1 236.363 1.121 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252711246 385204999 /nfs/dbraw/zinc/20/49/99/385204999.db2.gz IYRVQPZFDDFCSY-IJLUTSLNSA-N 2 1 214.353 1.341 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc1 ZINC000228061593 385323599 /nfs/dbraw/zinc/32/35/99/385323599.db2.gz DBSWSTIUFVOFMN-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000409425674 385333286 /nfs/dbraw/zinc/33/32/86/385333286.db2.gz GLNVIOLIMUBKJY-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP CS[C@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308987758 385334870 /nfs/dbraw/zinc/33/48/70/385334870.db2.gz MOMRMEWLVLXLAJ-SNVBAGLBSA-N 2 1 228.405 1.954 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2ccccn12 ZINC000643973519 385337207 /nfs/dbraw/zinc/33/72/07/385337207.db2.gz YDDJHDWVNGDRPP-CHWSQXEVSA-N 2 1 244.342 1.694 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCCCO)CC[N@H+]1C ZINC000158101008 385346759 /nfs/dbraw/zinc/34/67/59/385346759.db2.gz BUQQEEWUMNJXES-VXGBXAGGSA-N 2 1 214.353 1.221 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc1 ZINC000228150717 385349190 /nfs/dbraw/zinc/34/91/90/385349190.db2.gz BBFMODDXZNQUIC-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000309024815 385366328 /nfs/dbraw/zinc/36/63/28/385366328.db2.gz ZHTXWWUQZAEUMF-PWSUYJOCSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000309024815 385366331 /nfs/dbraw/zinc/36/63/31/385366331.db2.gz ZHTXWWUQZAEUMF-PWSUYJOCSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000309024814 385366611 /nfs/dbraw/zinc/36/66/11/385366611.db2.gz ZHTXWWUQZAEUMF-JQWIXIFHSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000309024814 385366614 /nfs/dbraw/zinc/36/66/14/385366614.db2.gz ZHTXWWUQZAEUMF-JQWIXIFHSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)CC[N@H+]1C ZINC000158226197 385370418 /nfs/dbraw/zinc/37/04/18/385370418.db2.gz YZMAXNISVMVEHE-IUCAKERBSA-N 2 1 240.269 1.595 20 0 BDADMP C=Cn1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000193723041 385409021 /nfs/dbraw/zinc/40/90/21/385409021.db2.gz HPPNKDJJJOMHAN-CYBMUJFWSA-N 2 1 248.374 1.757 20 0 BDADMP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000405295329 385457178 /nfs/dbraw/zinc/45/71/78/385457178.db2.gz OAEMHTXOSXFAKE-MNOVXSKESA-N 2 1 235.331 1.306 20 0 BDADMP CCCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309130611 385430473 /nfs/dbraw/zinc/43/04/73/385430473.db2.gz XSZNQKJCHDHKJU-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309130611 385430479 /nfs/dbraw/zinc/43/04/79/385430479.db2.gz XSZNQKJCHDHKJU-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309130611 385430486 /nfs/dbraw/zinc/43/04/86/385430486.db2.gz XSZNQKJCHDHKJU-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309130611 385430490 /nfs/dbraw/zinc/43/04/90/385430490.db2.gz XSZNQKJCHDHKJU-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CO[C@H](C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182187420 385433213 /nfs/dbraw/zinc/43/32/13/385433213.db2.gz ZXSAYAPZPNXNSJ-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CO[C@H](C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182187420 385433216 /nfs/dbraw/zinc/43/32/16/385433216.db2.gz ZXSAYAPZPNXNSJ-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CO[C@H](C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182187420 385433218 /nfs/dbraw/zinc/43/32/18/385433218.db2.gz ZXSAYAPZPNXNSJ-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257649267 385483278 /nfs/dbraw/zinc/48/32/78/385483278.db2.gz CWIIPNQWEAUZGP-AWEZNQCLSA-N 2 1 233.359 1.601 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2ccncc2)CC[N@H+]1C ZINC000156642213 385461903 /nfs/dbraw/zinc/46/19/03/385461903.db2.gz QQEQQSXKUOYMDS-TZMCWYRMSA-N 2 1 233.359 1.696 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275544217 385462054 /nfs/dbraw/zinc/46/20/54/385462054.db2.gz MXEBTGKYFIMFND-NSHDSACASA-N 2 1 245.330 1.267 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275544212 385462882 /nfs/dbraw/zinc/46/28/82/385462882.db2.gz MXEBTGKYFIMFND-LLVKDONJSA-N 2 1 245.330 1.267 20 0 BDADMP Cc1nc(NC[C@@H]2CCCC[NH2+]2)c(C)c(C)[nH+]1 ZINC000642996039 385494897 /nfs/dbraw/zinc/49/48/97/385494897.db2.gz AXORXHLLGMLJKW-LBPRGKRZSA-N 2 1 234.347 1.378 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[N@H+](C)C1CCCC1 ZINC000309297736 385516256 /nfs/dbraw/zinc/51/62/56/385516256.db2.gz XLOBXOBQGWDTGI-GFCCVEGCSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000309297736 385516259 /nfs/dbraw/zinc/51/62/59/385516259.db2.gz XLOBXOBQGWDTGI-GFCCVEGCSA-N 3 1 227.396 1.578 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000309347117 385545737 /nfs/dbraw/zinc/54/57/37/385545737.db2.gz LYYQCLHKSAYIHV-RWMBFGLXSA-N 2 1 228.380 1.323 20 0 BDADMP COC[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000173309659 385553385 /nfs/dbraw/zinc/55/33/85/385553385.db2.gz JPFTUPAVARCIDX-NSHDSACASA-N 2 1 214.353 1.484 20 0 BDADMP CN(C[C@@H](O)C[N@@H+](C)CCC1CC1)C1CC1 ZINC000309465119 385595710 /nfs/dbraw/zinc/59/57/10/385595710.db2.gz SNRGICZWQKWIBL-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)CCC1CC1)C1CC1 ZINC000309465119 385595711 /nfs/dbraw/zinc/59/57/11/385595711.db2.gz SNRGICZWQKWIBL-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CCC1CC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309465119 385595718 /nfs/dbraw/zinc/59/57/18/385595718.db2.gz SNRGICZWQKWIBL-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2nccs2)CC1 ZINC000063133278 385598204 /nfs/dbraw/zinc/59/82/04/385598204.db2.gz CKQGCDIOXPSYBY-UHFFFAOYSA-N 2 1 225.361 1.369 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000309459427 385590364 /nfs/dbraw/zinc/59/03/64/385590364.db2.gz RLVHBXXXSOYWAR-FRRDWIJNSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000309459427 385590368 /nfs/dbraw/zinc/59/03/68/385590368.db2.gz RLVHBXXXSOYWAR-FRRDWIJNSA-N 3 1 225.380 1.330 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000309496432 385617055 /nfs/dbraw/zinc/61/70/55/385617055.db2.gz ZELXNIPDMHWBMT-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000309496432 385617069 /nfs/dbraw/zinc/61/70/69/385617069.db2.gz ZELXNIPDMHWBMT-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1CC1 ZINC000309496432 385617075 /nfs/dbraw/zinc/61/70/75/385617075.db2.gz ZELXNIPDMHWBMT-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1CC1 ZINC000309496432 385617081 /nfs/dbraw/zinc/61/70/81/385617081.db2.gz ZELXNIPDMHWBMT-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000414850279 385632668 /nfs/dbraw/zinc/63/26/68/385632668.db2.gz IFCHUTVYZLAQSY-STQMWFEESA-N 2 1 233.359 1.868 20 0 BDADMP CSCCCN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309484302 385611480 /nfs/dbraw/zinc/61/14/80/385611480.db2.gz WPBAGCCAYQXHQD-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCCN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309484302 385611483 /nfs/dbraw/zinc/61/14/83/385611483.db2.gz WPBAGCCAYQXHQD-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309484302 385611487 /nfs/dbraw/zinc/61/14/87/385611487.db2.gz WPBAGCCAYQXHQD-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309484302 385611491 /nfs/dbraw/zinc/61/14/91/385611491.db2.gz WPBAGCCAYQXHQD-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309484302 385611495 /nfs/dbraw/zinc/61/14/95/385611495.db2.gz WPBAGCCAYQXHQD-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309484302 385611500 /nfs/dbraw/zinc/61/15/00/385611500.db2.gz WPBAGCCAYQXHQD-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414858976 385733837 /nfs/dbraw/zinc/73/38/37/385733837.db2.gz AEKRGUPVJVTENX-AAEUAGOBSA-N 2 1 226.364 1.533 20 0 BDADMP C[N@@H+](CCCn1ccnc1)[C@@H]1CCSC1 ZINC000183065615 385735327 /nfs/dbraw/zinc/73/53/27/385735327.db2.gz OTLWFEIYLLXAEB-LLVKDONJSA-N 2 1 225.361 1.711 20 0 BDADMP CCn1nccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414859224 385741311 /nfs/dbraw/zinc/74/13/11/385741311.db2.gz TUQLEJFIVWOOQZ-NEPJUHHUSA-N 2 1 236.363 1.381 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC000414856988 385726597 /nfs/dbraw/zinc/72/65/97/385726597.db2.gz ZYOZQNKFDDVCKM-GXTWGEPZSA-N 2 1 240.391 1.910 20 0 BDADMP Cc1noc(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000337951533 385859155 /nfs/dbraw/zinc/85/91/55/385859155.db2.gz RADBFSBFVFYVGU-UHFFFAOYSA-N 2 1 248.330 1.976 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000521426619 385814210 /nfs/dbraw/zinc/81/42/10/385814210.db2.gz JOMMKFXASQDQEJ-MCIONIFRSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@H](NC2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000128576009 385835036 /nfs/dbraw/zinc/83/50/36/385835036.db2.gz YPVXAYLRRFTJQM-YPMHNXCESA-N 2 1 237.391 1.295 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000112310182 385839652 /nfs/dbraw/zinc/83/96/52/385839652.db2.gz HCDJZPXXJXULDS-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCCC[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC000112310182 385839654 /nfs/dbraw/zinc/83/96/54/385839654.db2.gz HCDJZPXXJXULDS-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCCC[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC000112310182 385839657 /nfs/dbraw/zinc/83/96/57/385839657.db2.gz HCDJZPXXJXULDS-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CN(C)C[C@@H]1C[N@H+](CCC(C)(C)C)CCO1 ZINC000112697949 385843565 /nfs/dbraw/zinc/84/35/65/385843565.db2.gz GIXMMNQAFMJXAK-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414961251 385884429 /nfs/dbraw/zinc/88/44/29/385884429.db2.gz YRGGMINVWWCHLM-NXEZZACHSA-N 2 1 239.388 1.936 20 0 BDADMP COc1ccsc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414963577 385897708 /nfs/dbraw/zinc/89/77/08/385897708.db2.gz UFXSRFCKWYBYTB-NXEZZACHSA-N 2 1 240.372 1.844 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000335032488 385921044 /nfs/dbraw/zinc/92/10/44/385921044.db2.gz ZHGDOHYJZAEOKC-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000414871760 385859815 /nfs/dbraw/zinc/85/98/15/385859815.db2.gz OLAWCXQWWRGZAF-OLZOCXBDSA-N 2 1 227.396 1.306 20 0 BDADMP C1CC1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414872676 385865984 /nfs/dbraw/zinc/86/59/84/385865984.db2.gz WQAAFYTZMFJGJH-FRRDWIJNSA-N 2 1 208.349 1.907 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC000647837442 385882255 /nfs/dbraw/zinc/88/22/55/385882255.db2.gz LHRUETVEJGVYOA-VIFPVBQESA-N 2 1 238.335 1.370 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H]2CCC[C@H]21 ZINC000414128214 385976788 /nfs/dbraw/zinc/97/67/88/385976788.db2.gz RUFCAFJZHJSFOI-XVIXHAIJSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCSCC1 ZINC000335019749 385977106 /nfs/dbraw/zinc/97/71/06/385977106.db2.gz SIDIJLZYFQIIDF-JQWIXIFHSA-N 2 1 228.405 1.717 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000335018958 385977705 /nfs/dbraw/zinc/97/77/05/385977705.db2.gz XYKURWZWBFPYOB-WOOKNIGNSA-N 2 1 236.281 1.915 20 0 BDADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1C ZINC000414881300 385995034 /nfs/dbraw/zinc/99/50/34/385995034.db2.gz AEUBABNNYZPEJU-CYBMUJFWSA-N 2 1 234.343 1.831 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](OC)C2CC2)C1 ZINC000425417307 385992706 /nfs/dbraw/zinc/99/27/06/385992706.db2.gz HKGOQSWKQQNBCI-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](OC)C2CC2)C1 ZINC000425417307 385992711 /nfs/dbraw/zinc/99/27/11/385992711.db2.gz HKGOQSWKQQNBCI-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000425417307 385992717 /nfs/dbraw/zinc/99/27/17/385992717.db2.gz HKGOQSWKQQNBCI-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335039232 385931165 /nfs/dbraw/zinc/93/11/65/385931165.db2.gz AZTOYETYAUMFFJ-KBPBESRZSA-N 3 1 237.391 1.498 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000335039232 385931170 /nfs/dbraw/zinc/93/11/70/385931170.db2.gz AZTOYETYAUMFFJ-KBPBESRZSA-N 2 1 237.391 1.498 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000335039232 385931177 /nfs/dbraw/zinc/93/11/77/385931177.db2.gz AZTOYETYAUMFFJ-KBPBESRZSA-N 2 1 237.391 1.498 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000335039234 385931785 /nfs/dbraw/zinc/93/17/85/385931785.db2.gz AZTOYETYAUMFFJ-UONOGXRCSA-N 3 1 237.391 1.498 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000335039234 385931790 /nfs/dbraw/zinc/93/17/90/385931790.db2.gz AZTOYETYAUMFFJ-UONOGXRCSA-N 2 1 237.391 1.498 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000335039234 385931792 /nfs/dbraw/zinc/93/17/92/385931792.db2.gz AZTOYETYAUMFFJ-UONOGXRCSA-N 2 1 237.391 1.498 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC000342088595 385937162 /nfs/dbraw/zinc/93/71/62/385937162.db2.gz ADRCXNCNJJPVPY-BFHYXJOUSA-N 2 1 238.375 1.472 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414973501 385993626 /nfs/dbraw/zinc/99/36/26/385993626.db2.gz ZTQLZTJKFKWQIM-CHWSQXEVSA-N 2 1 227.396 1.482 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+]CC1CCCCCC1 ZINC000414971095 385970372 /nfs/dbraw/zinc/97/03/72/385970372.db2.gz VXLCNPZBARYNIO-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@@H]1C ZINC000414125425 385974260 /nfs/dbraw/zinc/97/42/60/385974260.db2.gz CXUPZBNVAGPTPC-QNWHQSFQSA-N 2 1 226.364 1.077 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@@H]1C ZINC000414125425 385974270 /nfs/dbraw/zinc/97/42/70/385974270.db2.gz CXUPZBNVAGPTPC-QNWHQSFQSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000309256105 385998333 /nfs/dbraw/zinc/99/83/33/385998333.db2.gz GKCQIWUERKJXDV-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP CC[N@H+]1C[C@H](C)N(Cc2c[nH]cn2)C[C@@H]1C ZINC000334434041 386056176 /nfs/dbraw/zinc/05/61/76/386056176.db2.gz NGTODAYPTAZGNH-QWRGUYRKSA-N 2 1 222.336 1.324 20 0 BDADMP CC[N@@H+]1C[C@H](C)N(Cc2cnc[nH]2)C[C@@H]1C ZINC000334434041 386056182 /nfs/dbraw/zinc/05/61/82/386056182.db2.gz NGTODAYPTAZGNH-QWRGUYRKSA-N 2 1 222.336 1.324 20 0 BDADMP CC[N@H+]1C[C@H](C)N(Cc2cnc[nH]2)C[C@@H]1C ZINC000334434041 386056189 /nfs/dbraw/zinc/05/61/89/386056189.db2.gz NGTODAYPTAZGNH-QWRGUYRKSA-N 2 1 222.336 1.324 20 0 BDADMP CCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976244 386015974 /nfs/dbraw/zinc/01/59/74/386015974.db2.gz NQZOTDCKLKXKDP-NEPJUHHUSA-N 2 1 213.369 1.058 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCC1CC[NH2+]CC1 ZINC000647869520 386019416 /nfs/dbraw/zinc/01/94/16/386019416.db2.gz LFOWPBPRQNZNLZ-CQSZACIVSA-N 3 1 241.423 1.729 20 0 BDADMP COC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000309637898 386020364 /nfs/dbraw/zinc/02/03/64/386020364.db2.gz JXEZGKXPLVODAA-TXEJJXNPSA-N 2 1 224.348 1.097 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000345160842 386020935 /nfs/dbraw/zinc/02/09/35/386020935.db2.gz QDUPLACHYUQKOW-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ncc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)o1 ZINC000414187194 386027756 /nfs/dbraw/zinc/02/77/56/386027756.db2.gz QGGJLFHCBYSNSD-MCIONIFRSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)o1 ZINC000414187194 386027760 /nfs/dbraw/zinc/02/77/60/386027760.db2.gz QGGJLFHCBYSNSD-MCIONIFRSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)o1 ZINC000414187194 386027763 /nfs/dbraw/zinc/02/77/63/386027763.db2.gz QGGJLFHCBYSNSD-MCIONIFRSA-N 2 1 249.358 1.945 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414977155 386028983 /nfs/dbraw/zinc/02/89/83/386028983.db2.gz PDIYLEPUGPAWPF-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@H]([NH3+])CC)c1 ZINC000414979829 386046504 /nfs/dbraw/zinc/04/65/04/386046504.db2.gz ORIADBVUTAUZSG-GFCCVEGCSA-N 2 1 222.332 1.912 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638587065 386057897 /nfs/dbraw/zinc/05/78/97/386057897.db2.gz AGMLMASJRAWZNR-FQUUOJAGSA-N 2 1 222.376 1.964 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000414148306 385996584 /nfs/dbraw/zinc/99/65/84/385996584.db2.gz RWAXPOQXPYSROJ-XHJNMGKDSA-N 2 1 240.391 1.872 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](O)C(C)C ZINC000414295418 386103867 /nfs/dbraw/zinc/10/38/67/386103867.db2.gz NUYMTKLBMRUSSC-MQYQWHSLSA-N 2 1 242.407 1.854 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](O)C(C)C ZINC000414295418 386103874 /nfs/dbraw/zinc/10/38/74/386103874.db2.gz NUYMTKLBMRUSSC-MQYQWHSLSA-N 2 1 242.407 1.854 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](O)C(C)C ZINC000414295416 386104342 /nfs/dbraw/zinc/10/43/42/386104342.db2.gz NUYMTKLBMRUSSC-CRWXNKLISA-N 2 1 242.407 1.854 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](O)C(C)C ZINC000414295416 386104347 /nfs/dbraw/zinc/10/43/47/386104347.db2.gz NUYMTKLBMRUSSC-CRWXNKLISA-N 2 1 242.407 1.854 20 0 BDADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH3+])c1ccccc1 ZINC000274460346 386109112 /nfs/dbraw/zinc/10/91/12/386109112.db2.gz VBVBOJGAEATARM-YPMHNXCESA-N 2 1 249.358 1.143 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000414209259 386062673 /nfs/dbraw/zinc/06/26/73/386062673.db2.gz SJFDNYQYLJWHRS-REWJHTLYSA-N 2 1 242.407 1.977 20 0 BDADMP Cc1ccc(F)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000129185886 386062699 /nfs/dbraw/zinc/06/26/99/386062699.db2.gz NDZGCARLSMXICW-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP Cc1ccc(F)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000129185886 386062703 /nfs/dbraw/zinc/06/27/03/386062703.db2.gz NDZGCARLSMXICW-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414886762 386078144 /nfs/dbraw/zinc/07/81/44/386078144.db2.gz CXWNJWBKRWOLLU-AWEZNQCLSA-N 2 1 234.343 1.912 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000365407310 386080181 /nfs/dbraw/zinc/08/01/81/386080181.db2.gz ZOPBMJUBVNKQCW-LBPRGKRZSA-N 2 1 242.363 1.166 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CO)C2)CC[NH2+]1 ZINC000414677510 386156624 /nfs/dbraw/zinc/15/66/24/386156624.db2.gz WOFVIKMVOFRFBK-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](CCO)C1CCCC1 ZINC000414679478 386162007 /nfs/dbraw/zinc/16/20/07/386162007.db2.gz ZXBJJZQEEKYIOR-LBPRGKRZSA-N 2 1 228.380 1.597 20 0 BDADMP CCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414681683 386165335 /nfs/dbraw/zinc/16/53/35/386165335.db2.gz PRWYYGXEDWZNTH-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](CCCCO)C2CC2)CC[NH2+]1 ZINC000414687252 386170597 /nfs/dbraw/zinc/17/05/97/386170597.db2.gz BYENULWURVXEGC-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000414690638 386185700 /nfs/dbraw/zinc/18/57/00/386185700.db2.gz HXCQMDMVCHNOOU-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CN(C)C)C2)CC[NH2+]1 ZINC000414690638 386185702 /nfs/dbraw/zinc/18/57/02/386185702.db2.gz HXCQMDMVCHNOOU-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CN(C)C)C2)CC[NH2+]1 ZINC000414690638 386185707 /nfs/dbraw/zinc/18/57/07/386185707.db2.gz HXCQMDMVCHNOOU-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP COc1cc(C)c(C[NH2+]C[C@@H]([NH3+])C2CC2)c(C)n1 ZINC000414895102 386188653 /nfs/dbraw/zinc/18/86/53/386188653.db2.gz VYTUDCKOYZQZFY-CYBMUJFWSA-N 2 1 249.358 1.534 20 0 BDADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000365484481 386126009 /nfs/dbraw/zinc/12/60/09/386126009.db2.gz OSAVFGVJYWEJCR-LLVKDONJSA-N 2 1 219.332 1.930 20 0 BDADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)C1CCC1 ZINC000365484481 386126014 /nfs/dbraw/zinc/12/60/14/386126014.db2.gz OSAVFGVJYWEJCR-LLVKDONJSA-N 2 1 219.332 1.930 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414890494 386133954 /nfs/dbraw/zinc/13/39/54/386133954.db2.gz HKNJKMVKKPVVTN-CYBMUJFWSA-N 2 1 204.317 1.822 20 0 BDADMP CC[NH+](CC)CCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365509194 386139712 /nfs/dbraw/zinc/13/97/12/386139712.db2.gz IWCOMTORSCGIQZ-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP CC(C)[N@@H+](C[C@H](C)O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702898 386210044 /nfs/dbraw/zinc/21/00/44/386210044.db2.gz VLDSVXYJOGXELS-FRRDWIJNSA-N 2 1 228.380 1.466 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000414704585 386213946 /nfs/dbraw/zinc/21/39/46/386213946.db2.gz WFHJOHYVJGDMQY-LBPRGKRZSA-N 2 1 248.326 1.901 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]CCn2ccnc2)c2ccccc21 ZINC000132045428 386219229 /nfs/dbraw/zinc/21/92/29/386219229.db2.gz RXJQXGXXNHKQFH-KBPBESRZSA-N 2 1 242.326 1.618 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414706024 386220053 /nfs/dbraw/zinc/22/00/53/386220053.db2.gz OFTDSZWOFVUFQU-XQQFMLRXSA-N 2 1 240.391 1.861 20 0 BDADMP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414710181 386227953 /nfs/dbraw/zinc/22/79/53/386227953.db2.gz RYXKPFHPXQTDRW-MNOVXSKESA-N 2 1 230.352 1.101 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414710181 386227955 /nfs/dbraw/zinc/22/79/55/386227955.db2.gz RYXKPFHPXQTDRW-MNOVXSKESA-N 2 1 230.352 1.101 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452069093 386230546 /nfs/dbraw/zinc/23/05/46/386230546.db2.gz LSFTUESVYDXWPZ-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452069093 386230550 /nfs/dbraw/zinc/23/05/50/386230550.db2.gz LSFTUESVYDXWPZ-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000347112725 386232577 /nfs/dbraw/zinc/23/25/77/386232577.db2.gz RRAKFUFSLRCTLW-LBPRGKRZSA-N 2 1 244.342 1.604 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000090320355 386238424 /nfs/dbraw/zinc/23/84/24/386238424.db2.gz INUNNWDNTDIXCX-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000090320355 386238429 /nfs/dbraw/zinc/23/84/29/386238429.db2.gz INUNNWDNTDIXCX-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP COC(=O)[C@]1(C)CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414714088 386239504 /nfs/dbraw/zinc/23/95/04/386239504.db2.gz WZBYINXMVXJPGA-WCQYABFASA-N 2 1 242.363 1.245 20 0 BDADMP COC(=O)[C@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414714088 386239508 /nfs/dbraw/zinc/23/95/08/386239508.db2.gz WZBYINXMVXJPGA-WCQYABFASA-N 2 1 242.363 1.245 20 0 BDADMP COCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647883385 386245526 /nfs/dbraw/zinc/24/55/26/386245526.db2.gz MXRXNAUIUZFUEM-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1ccc(O)c(C[N@@H+](C)C2CC[NH2+]CC2)n1 ZINC000347224661 386289003 /nfs/dbraw/zinc/28/90/03/386289003.db2.gz VDFQWWKVQNTPQI-UHFFFAOYSA-N 2 1 235.331 1.279 20 0 BDADMP Cc1ccc(O)c(C[N@H+](C)C2CC[NH2+]CC2)n1 ZINC000347224661 386289008 /nfs/dbraw/zinc/28/90/08/386289008.db2.gz VDFQWWKVQNTPQI-UHFFFAOYSA-N 2 1 235.331 1.279 20 0 BDADMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc(OC)c1 ZINC000415004900 386291833 /nfs/dbraw/zinc/29/18/33/386291833.db2.gz IOLGVNIYHHPVEK-VHSXEESVSA-N 2 1 238.331 1.529 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000091393701 386296293 /nfs/dbraw/zinc/29/62/93/386296293.db2.gz ZRHNBLGBOZTKMT-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000091393701 386296299 /nfs/dbraw/zinc/29/62/99/386296299.db2.gz ZRHNBLGBOZTKMT-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415005750 386306783 /nfs/dbraw/zinc/30/67/83/386306783.db2.gz JOQIDYVYUHRXMK-VHSXEESVSA-N 2 1 236.315 1.299 20 0 BDADMP CC[N@@H+](CCCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414737725 386317113 /nfs/dbraw/zinc/31/71/13/386317113.db2.gz HPPKHCAIYBPMJJ-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP CCCO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647884536 386268175 /nfs/dbraw/zinc/26/81/75/386268175.db2.gz BTAHZJXPLOCNPN-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP OCCC[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647885021 386271524 /nfs/dbraw/zinc/27/15/24/386271524.db2.gz YKJURHFBPRDRMK-UHFFFAOYSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000647987570 386276670 /nfs/dbraw/zinc/27/66/70/386276670.db2.gz DMZVFFKTKQWHJH-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000647987570 386276673 /nfs/dbraw/zinc/27/66/73/386276673.db2.gz DMZVFFKTKQWHJH-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000336682269 386341116 /nfs/dbraw/zinc/34/11/16/386341116.db2.gz JIZAJPNDZDJXSE-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@H](C)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000336682269 386341121 /nfs/dbraw/zinc/34/11/21/386341121.db2.gz JIZAJPNDZDJXSE-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@H](C)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000336682269 386341127 /nfs/dbraw/zinc/34/11/27/386341127.db2.gz JIZAJPNDZDJXSE-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1F ZINC000335277784 386344476 /nfs/dbraw/zinc/34/44/76/386344476.db2.gz JREWHUCADMDVIL-UHFFFAOYSA-N 2 1 222.307 1.976 20 0 BDADMP Cc1cnc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000335278665 386346678 /nfs/dbraw/zinc/34/66/78/386346678.db2.gz MGUJPUSZYSMIHK-LLVKDONJSA-N 2 1 249.358 1.947 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000414745670 386351293 /nfs/dbraw/zinc/35/12/93/386351293.db2.gz PUUUFCVNMDVRKM-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000414745670 386351296 /nfs/dbraw/zinc/35/12/96/386351296.db2.gz PUUUFCVNMDVRKM-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cn1 ZINC000336687680 386351734 /nfs/dbraw/zinc/35/17/34/386351734.db2.gz AYSJSKFDRHFTLJ-KGLIPLIRSA-N 2 1 249.358 1.632 20 0 BDADMP Cc1cnc(CC[N@H+](C)C[C@@H]2CC[NH2+]C2)s1 ZINC000647989708 386361695 /nfs/dbraw/zinc/36/16/95/386361695.db2.gz ZOCRDQVXEQPZLW-LLVKDONJSA-N 2 1 239.388 1.535 20 0 BDADMP Cc1cnc(CC[N@H+](C)C[C@H]2CC[NH2+]C2)s1 ZINC000647989709 386362379 /nfs/dbraw/zinc/36/23/79/386362379.db2.gz ZOCRDQVXEQPZLW-NSHDSACASA-N 2 1 239.388 1.535 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414742903 386329757 /nfs/dbraw/zinc/32/97/57/386329757.db2.gz UQKVXOMJVGDKIO-LLVKDONJSA-N 2 1 222.336 1.279 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414742903 386329761 /nfs/dbraw/zinc/32/97/61/386329761.db2.gz UQKVXOMJVGDKIO-LLVKDONJSA-N 2 1 222.336 1.279 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414742903 386329768 /nfs/dbraw/zinc/32/97/68/386329768.db2.gz UQKVXOMJVGDKIO-LLVKDONJSA-N 2 1 222.336 1.279 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000336677914 386329787 /nfs/dbraw/zinc/32/97/87/386329787.db2.gz ACYQAHLJMIWIHS-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336684010 386331641 /nfs/dbraw/zinc/33/16/41/386331641.db2.gz CPCPPGLJZLPUEB-CQSZACIVSA-N 2 1 242.407 1.808 20 0 BDADMP [NH3+]CCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000335275628 386334993 /nfs/dbraw/zinc/33/49/93/386334993.db2.gz BQNTZDJOPZBUIN-QWRGUYRKSA-N 2 1 214.378 1.695 20 0 BDADMP C[C@H](O)CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336681460 386336243 /nfs/dbraw/zinc/33/62/43/386336243.db2.gz DSBQANXYHWMJLU-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H](O)CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000336681460 386336250 /nfs/dbraw/zinc/33/62/50/386336250.db2.gz DSBQANXYHWMJLU-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H](O)CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000336681460 386336257 /nfs/dbraw/zinc/33/62/57/386336257.db2.gz DSBQANXYHWMJLU-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP [NH3+]CCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000335275632 386336232 /nfs/dbraw/zinc/33/62/32/386336232.db2.gz BQNTZDJOPZBUIN-WDEREUQCSA-N 2 1 214.378 1.695 20 0 BDADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336754446 386438263 /nfs/dbraw/zinc/43/82/63/386438263.db2.gz HIBQMXHUHBQYMI-TUAOUCFPSA-N 2 1 214.353 1.484 20 0 BDADMP CC[C@H]1C[C@H](C[N@@H+](C)C2CC([NH3+])C2)CCO1 ZINC000414768080 386442429 /nfs/dbraw/zinc/44/24/29/386442429.db2.gz HEWVPTLLSVDGHJ-XVSSEFHLSA-N 2 1 226.364 1.613 20 0 BDADMP COC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000336775478 386388498 /nfs/dbraw/zinc/38/84/98/386388498.db2.gz ZEBSWOZAQZDGMW-ZDUSSCGKSA-N 2 1 224.348 1.263 20 0 BDADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCOC1)CC[NH2+]CC2 ZINC000335280007 386394245 /nfs/dbraw/zinc/39/42/45/386394245.db2.gz QHMNPXVQUSLDQS-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+]C1CC[NH2+]CC1 ZINC000335279855 386394313 /nfs/dbraw/zinc/39/43/13/386394313.db2.gz SZTBCAJFBDBYEF-UHFFFAOYSA-N 2 1 244.342 1.484 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]1 ZINC000414754823 386395077 /nfs/dbraw/zinc/39/50/77/386395077.db2.gz SJGRTVBYHXQYCL-RFQIPJPRSA-N 2 1 237.391 1.201 20 0 BDADMP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000336705526 386395670 /nfs/dbraw/zinc/39/56/70/386395670.db2.gz QTCUETDXZXBPMC-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000336705526 386395675 /nfs/dbraw/zinc/39/56/75/386395675.db2.gz QTCUETDXZXBPMC-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CCC[C@@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414756515 386399766 /nfs/dbraw/zinc/39/97/66/386399766.db2.gz JXGDUYUMNZEIAX-KGLIPLIRSA-N 2 1 242.407 1.987 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000336776693 386407073 /nfs/dbraw/zinc/40/70/73/386407073.db2.gz GJJATCFLBTZDTJ-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP CO[C@H](C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336707414 386411042 /nfs/dbraw/zinc/41/10/42/386411042.db2.gz GXQPPMSZTDHAQG-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H](Cc1ccccc1)C[N@H+](CC[NH3+])CCO ZINC000414909216 386413250 /nfs/dbraw/zinc/41/32/50/386413250.db2.gz GDUXGIVVICNKJP-ZDUSSCGKSA-N 2 1 236.359 1.118 20 0 BDADMP C[C@@H](Cc1ccccc1)C[N@@H+](CC[NH3+])CCO ZINC000414909216 386413258 /nfs/dbraw/zinc/41/32/58/386413258.db2.gz GDUXGIVVICNKJP-ZDUSSCGKSA-N 2 1 236.359 1.118 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000339411219 386415040 /nfs/dbraw/zinc/41/50/40/386415040.db2.gz VYFLHTYLEAVAAC-WFASDCNBSA-N 2 1 247.386 1.992 20 0 BDADMP CCOC1CC([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000347464520 386416565 /nfs/dbraw/zinc/41/65/65/386416565.db2.gz NXJGXSHWASLAPI-HSBZDZAISA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000442664325 386416541 /nfs/dbraw/zinc/41/65/41/386416541.db2.gz WILWGRZRCPHTCA-CHWSQXEVSA-N 2 1 248.374 1.107 20 0 BDADMP Cc1ccncc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414909832 386420376 /nfs/dbraw/zinc/42/03/76/386420376.db2.gz UNQLLCFCLYVCNA-CYBMUJFWSA-N 2 1 219.332 1.622 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000414762727 386425795 /nfs/dbraw/zinc/42/57/95/386425795.db2.gz WNQWHNHIKSKTGC-WDEREUQCSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000414762727 386425802 /nfs/dbraw/zinc/42/58/02/386425802.db2.gz WNQWHNHIKSKTGC-WDEREUQCSA-N 2 1 214.353 1.063 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775042 386472988 /nfs/dbraw/zinc/47/29/88/386472988.db2.gz GBARUHLFJMYRAF-STQMWFEESA-N 2 1 237.391 1.047 20 0 BDADMP NCC1(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775042 386472992 /nfs/dbraw/zinc/47/29/92/386472992.db2.gz GBARUHLFJMYRAF-STQMWFEESA-N 2 1 237.391 1.047 20 0 BDADMP NCC1(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775042 386472999 /nfs/dbraw/zinc/47/29/99/386472999.db2.gz GBARUHLFJMYRAF-STQMWFEESA-N 2 1 237.391 1.047 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc12 ZINC000415010615 386475361 /nfs/dbraw/zinc/47/53/61/386475361.db2.gz PNYNBKAVADYNIH-JGVFFNPUSA-N 2 1 233.319 1.092 20 0 BDADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)CO ZINC000339624747 386491391 /nfs/dbraw/zinc/49/13/91/386491391.db2.gz NZAOMCJFTRMFJN-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)CO ZINC000339624747 386491395 /nfs/dbraw/zinc/49/13/95/386491395.db2.gz NZAOMCJFTRMFJN-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](C)CO ZINC000339634120 386502429 /nfs/dbraw/zinc/50/24/29/386502429.db2.gz LSHYBUDKHZNDRS-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CC[C@@H](C)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784148 386506566 /nfs/dbraw/zinc/50/65/66/386506566.db2.gz QVWBIRQOFYIJLS-OLZOCXBDSA-N 2 1 240.391 1.720 20 0 BDADMP CC[C@H](C)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784152 386508138 /nfs/dbraw/zinc/50/81/38/386508138.db2.gz QVWBIRQOFYIJLS-STQMWFEESA-N 2 1 240.391 1.720 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000135498962 386514046 /nfs/dbraw/zinc/51/40/46/386514046.db2.gz DAVPUYUDSIRUAU-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000519641838 386514894 /nfs/dbraw/zinc/51/48/94/386514894.db2.gz HQXGBIGXFALMPK-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335412841 386577657 /nfs/dbraw/zinc/57/76/57/386577657.db2.gz NFRWELBJHANRSA-FZMZJTMJSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335412845 386578608 /nfs/dbraw/zinc/57/86/08/386578608.db2.gz NFRWELBJHANRSA-SMDDNHRTSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H](C[NH2+]Cc1cccc2nccn21)C[NH+](C)C ZINC000291781044 386582524 /nfs/dbraw/zinc/58/25/24/386582524.db2.gz UVTYTZRTYOCZBB-LBPRGKRZSA-N 2 1 246.358 1.622 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335423161 386596549 /nfs/dbraw/zinc/59/65/49/386596549.db2.gz LVTASBRJGKRIMG-OLZOCXBDSA-N 2 1 235.331 1.302 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335423161 386596553 /nfs/dbraw/zinc/59/65/53/386596553.db2.gz LVTASBRJGKRIMG-OLZOCXBDSA-N 2 1 235.331 1.302 20 0 BDADMP C[NH+]1CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC000336755205 386533419 /nfs/dbraw/zinc/53/34/19/386533419.db2.gz GCIIFAXIPYDJOR-ZDUSSCGKSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]CCC[NH+](CCC[NH3+])CC1CCCC1 ZINC000414789373 386536367 /nfs/dbraw/zinc/53/63/67/386536367.db2.gz OLBKQHMBWSVPJF-UHFFFAOYSA-N 3 1 213.369 1.176 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)CC1CC[NH+](C)CC1 ZINC000063120872 386538922 /nfs/dbraw/zinc/53/89/22/386538922.db2.gz OVSDWTGCAWAEFL-UHFFFAOYSA-N 3 1 239.407 1.260 20 0 BDADMP Cc1ccccc1C1([NH2+]C[C@@H](C)[NH3+])CC1 ZINC000647995157 386540287 /nfs/dbraw/zinc/54/02/87/386540287.db2.gz AWGFCNZXGZWUPG-LLVKDONJSA-N 2 1 204.317 1.921 20 0 BDADMP CC(C)C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415057853 386540594 /nfs/dbraw/zinc/54/05/94/386540594.db2.gz UWTCMJXGRIQMSY-UONOGXRCSA-N 2 1 218.344 1.988 20 0 BDADMP CC(C)(C)[C@H](CN)[NH2+]Cc1cccnc1 ZINC000415061550 386540809 /nfs/dbraw/zinc/54/08/09/386540809.db2.gz YLKPMLODSWKHDB-NSHDSACASA-N 2 1 207.321 1.545 20 0 BDADMP C[N@H+](C/C=C/c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000415063854 386543458 /nfs/dbraw/zinc/54/34/58/386543458.db2.gz BGTBMEDVNRQNKU-IBUXWKBASA-N 2 1 238.306 1.090 20 0 BDADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000415063854 386543462 /nfs/dbraw/zinc/54/34/62/386543462.db2.gz BGTBMEDVNRQNKU-IBUXWKBASA-N 2 1 238.306 1.090 20 0 BDADMP C[C@H](C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000415063796 386545778 /nfs/dbraw/zinc/54/57/78/386545778.db2.gz AZIZNWUNGSUGFN-ZWNOBZJWSA-N 2 1 240.322 1.181 20 0 BDADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000415063796 386545786 /nfs/dbraw/zinc/54/57/86/386545786.db2.gz AZIZNWUNGSUGFN-ZWNOBZJWSA-N 2 1 240.322 1.181 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCOCC1)C1CCCC1 ZINC000415064685 386545815 /nfs/dbraw/zinc/54/58/15/386545815.db2.gz LCLNLVDZDSFCGZ-CHWSQXEVSA-N 2 1 226.364 1.663 20 0 BDADMP CC[NH+](CC)CCCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000336755830 386546677 /nfs/dbraw/zinc/54/66/77/386546677.db2.gz GNLGIAKQYNXRBD-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CC[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415067771 386546870 /nfs/dbraw/zinc/54/68/70/386546870.db2.gz LMKOASYGEAHEMI-OCCSQVGLSA-N 2 1 236.359 1.432 20 0 BDADMP COC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200276 386546832 /nfs/dbraw/zinc/54/68/32/386546832.db2.gz WLWCOXDTFFYZPI-CMPLNLGQSA-N 2 1 240.347 1.012 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC[C@H]1CCOC1)C1CCCC1 ZINC000415065465 386547422 /nfs/dbraw/zinc/54/74/22/386547422.db2.gz MSUVSBPPNOEJEY-AAEUAGOBSA-N 2 1 226.364 1.520 20 0 BDADMP C[C@H](Cc1ccccc1)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415068006 386550849 /nfs/dbraw/zinc/55/08/49/386550849.db2.gz LXWYNIGBTQBTJK-OCCSQVGLSA-N 2 1 236.359 1.117 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000335467649 386556235 /nfs/dbraw/zinc/55/62/35/386556235.db2.gz AHASTNIMXMMEJI-ZYHUDNBSSA-N 2 1 220.316 1.317 20 0 BDADMP CC(C)[C@H](N)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414794278 386557551 /nfs/dbraw/zinc/55/75/51/386557551.db2.gz LQOUCJJFZBSJNW-HTAVTVPLSA-N 2 1 213.369 1.077 20 0 BDADMP Cc1ccn2c(C[NH2+]CC(C)(C)[NH3+])cnc2c1 ZINC000414796820 386570649 /nfs/dbraw/zinc/57/06/49/386570649.db2.gz CKUGHTBMZACVPU-UHFFFAOYSA-N 2 1 232.331 1.470 20 0 BDADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000415073869 386572063 /nfs/dbraw/zinc/57/20/63/386572063.db2.gz YZGYODJPVZMNFR-UPJWGTAASA-N 2 1 228.380 1.454 20 0 BDADMP CCC(N)(CC)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414809708 386620871 /nfs/dbraw/zinc/62/08/71/386620871.db2.gz MSKVNLMNMGHWLZ-UHFFFAOYSA-N 2 1 227.396 1.611 20 0 BDADMP C[C@@H]([NH3+])c1ccc(CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000414811627 386637796 /nfs/dbraw/zinc/63/77/96/386637796.db2.gz PZTASMLQRGKKIM-OCCSQVGLSA-N 2 1 247.386 1.796 20 0 BDADMP NC[C@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000414803730 386599300 /nfs/dbraw/zinc/59/93/00/386599300.db2.gz NXSXMCBWRZTJTL-LBPRGKRZSA-N 2 1 208.280 1.653 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000414803730 386599306 /nfs/dbraw/zinc/59/93/06/386599306.db2.gz NXSXMCBWRZTJTL-LBPRGKRZSA-N 2 1 208.280 1.653 20 0 BDADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)C1CC[NH2+]CC1 ZINC000335489366 386607563 /nfs/dbraw/zinc/60/75/63/386607563.db2.gz USCWHPUCNOKAMT-UHFFFAOYSA-N 3 1 237.391 1.204 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000415090214 386610034 /nfs/dbraw/zinc/61/00/34/386610034.db2.gz YQNXEPFJJVLCID-LLVKDONJSA-N 2 1 214.353 1.127 20 0 BDADMP COC(=O)c1cccc2c1CC[N@H+](CCC[NH3+])C2 ZINC000415090386 386611144 /nfs/dbraw/zinc/61/11/44/386611144.db2.gz AKCJZSOAFOGETL-UHFFFAOYSA-N 2 1 248.326 1.180 20 0 BDADMP COC(=O)c1cccc2c1CC[N@@H+](CCC[NH3+])C2 ZINC000415090386 386611152 /nfs/dbraw/zinc/61/11/52/386611152.db2.gz AKCJZSOAFOGETL-UHFFFAOYSA-N 2 1 248.326 1.180 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414807522 386618277 /nfs/dbraw/zinc/61/82/77/386618277.db2.gz RKYUZLBELVDFPZ-UHFFFAOYSA-N 2 1 248.374 1.509 20 0 BDADMP C[NH2+]CCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414820666 386666350 /nfs/dbraw/zinc/66/63/50/386666350.db2.gz CNMJEXLKZCGXDO-HIFRSBDPSA-N 2 1 247.386 1.631 20 0 BDADMP C[NH2+]CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414823627 386676878 /nfs/dbraw/zinc/67/68/78/386676878.db2.gz IPHLONGSQUCIDW-SNVBAGLBSA-N 2 1 210.296 1.738 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H](C)CO ZINC000450741629 386658613 /nfs/dbraw/zinc/65/86/13/386658613.db2.gz ZYWYPBLCNFIBAS-RYUDHWBXSA-N 2 1 239.363 1.578 20 0 BDADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CCOCC[NH3+] ZINC000357071215 386711949 /nfs/dbraw/zinc/71/19/49/386711949.db2.gz JNGSCYUIFPOOLH-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000518813714 386700817 /nfs/dbraw/zinc/70/08/17/386700817.db2.gz KGGOPWDOIQMEGI-UHFFFAOYSA-N 2 1 248.330 1.182 20 0 BDADMP CC(C)n1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000414830569 386706374 /nfs/dbraw/zinc/70/63/74/386706374.db2.gz OXHWCDPWUBCLGD-LBPRGKRZSA-N 2 1 236.363 1.553 20 0 BDADMP CC(C)N1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414830687 386708636 /nfs/dbraw/zinc/70/86/36/386708636.db2.gz MGGAVUVOBSYAEA-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1Cc2ccccc2C[N@H+]1CCOCC[NH3+] ZINC000357090981 386715755 /nfs/dbraw/zinc/71/57/55/386715755.db2.gz VPUKBOGCWZWHRT-GFCCVEGCSA-N 2 1 234.343 1.409 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000414835077 386726408 /nfs/dbraw/zinc/72/64/08/386726408.db2.gz UTTJQWMMWKJLGR-MRVPVSSYSA-N 2 1 212.259 1.917 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000414835513 386727537 /nfs/dbraw/zinc/72/75/37/386727537.db2.gz UYGKCKZKGKMLOV-LBPRGKRZSA-N 2 1 236.359 1.825 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cn1cccn1 ZINC000414835727 386728580 /nfs/dbraw/zinc/72/85/80/386728580.db2.gz HPUYEQSCOOZHLK-RYUDHWBXSA-N 2 1 224.352 1.235 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@@H](C)C[NH2+]C)n1 ZINC000414839762 386746050 /nfs/dbraw/zinc/74/60/50/386746050.db2.gz MRRQMJPVZJRSCI-NSHDSACASA-N 2 1 237.347 1.425 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000340714192 386760576 /nfs/dbraw/zinc/76/05/76/386760576.db2.gz RQRDWNRWEKIXKV-ZDUSSCGKSA-N 2 1 228.380 1.471 20 0 BDADMP CN(C)c1cc(NC(=O)C2CC[NH2+]CC2)cc[nH+]1 ZINC000269254281 386766042 /nfs/dbraw/zinc/76/60/42/386766042.db2.gz JBAJIJOGXZGLLD-UHFFFAOYSA-N 2 1 248.330 1.086 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122319849 386742532 /nfs/dbraw/zinc/74/25/32/386742532.db2.gz WWQCWEMEGJKIDX-GZMMTYOYSA-N 2 1 223.320 1.461 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](C)CC1CCOCC1 ZINC000414845083 386789754 /nfs/dbraw/zinc/78/97/54/386789754.db2.gz LNHGXYPHSPOWDP-LLVKDONJSA-N 2 1 214.353 1.391 20 0 BDADMP CCSCC[C@H](C)[N@H+](C)C[C@@H](C)[NH3+] ZINC000336668372 386795250 /nfs/dbraw/zinc/79/52/50/386795250.db2.gz WYCFYXPAALKTGT-ZJUUUORDSA-N 2 1 204.383 1.797 20 0 BDADMP CCSCC[C@H](C)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000336668372 386795254 /nfs/dbraw/zinc/79/52/54/386795254.db2.gz WYCFYXPAALKTGT-ZJUUUORDSA-N 2 1 204.383 1.797 20 0 BDADMP CC(C)[NH+](CC[NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000336666940 386780167 /nfs/dbraw/zinc/78/01/67/386780167.db2.gz QIIUXJSHMJCECQ-CYBMUJFWSA-N 3 1 229.412 1.822 20 0 BDADMP C[C@@H](C1CCC1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000325330953 386784251 /nfs/dbraw/zinc/78/42/51/386784251.db2.gz HKBMGRUNLQQSAP-SMDDNHRTSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H](C1CCC1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000325330953 386784254 /nfs/dbraw/zinc/78/42/54/386784254.db2.gz HKBMGRUNLQQSAP-SMDDNHRTSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H](C1CCC1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000325330953 386784256 /nfs/dbraw/zinc/78/42/56/386784256.db2.gz HKBMGRUNLQQSAP-SMDDNHRTSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H](C1CCC1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000325330953 386784258 /nfs/dbraw/zinc/78/42/58/386784258.db2.gz HKBMGRUNLQQSAP-SMDDNHRTSA-N 2 1 240.391 1.562 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417864951 386809009 /nfs/dbraw/zinc/80/90/09/386809009.db2.gz BUCZTVJHTCFGGL-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)n1cc(C[NH2+]C2(C)CC[NH2+]CC2)cn1 ZINC000414935361 386812463 /nfs/dbraw/zinc/81/24/63/386812463.db2.gz FWDJGWNRNQRZEW-UHFFFAOYSA-N 2 1 236.363 1.696 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCOC2)C1)[C@@H]1CC[NH2+]C1 ZINC000334783903 386842352 /nfs/dbraw/zinc/84/23/52/386842352.db2.gz DMSPJYNOFPQBCC-STQMWFEESA-N 2 1 224.348 1.098 20 0 BDADMP C[NH2+]C[C@@H](C)CNc1cc(C)[nH+]c(C)n1 ZINC000168352335 386844741 /nfs/dbraw/zinc/84/47/41/386844741.db2.gz YDTZNKGKDBBVAB-MRVPVSSYSA-N 2 1 208.309 1.361 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCOC2)C1)[C@H]1CCC[NH2+]C1 ZINC000334785346 386844884 /nfs/dbraw/zinc/84/48/84/386844884.db2.gz OMDSCAFZWAFUIS-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH2+]C[C@H](C)CNc1cc(C)[nH+]c(C)n1 ZINC000168352232 386845893 /nfs/dbraw/zinc/84/58/93/386845893.db2.gz YDTZNKGKDBBVAB-QMMMGPOBSA-N 2 1 208.309 1.361 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414937250 386846625 /nfs/dbraw/zinc/84/66/25/386846625.db2.gz VIWSPWQTTYLDIY-DGAVXFQQSA-N 2 1 240.391 1.778 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCCOC3)C2)C1 ZINC000645187920 386850528 /nfs/dbraw/zinc/85/05/28/386850528.db2.gz LDQXSMMQPIDCDJ-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCCOC3)C2)C1 ZINC000645187920 386850530 /nfs/dbraw/zinc/85/05/30/386850530.db2.gz LDQXSMMQPIDCDJ-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCCOC3)C2)C1 ZINC000645187920 386850532 /nfs/dbraw/zinc/85/05/32/386850532.db2.gz LDQXSMMQPIDCDJ-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCCOC3)C2)C1 ZINC000645187917 386850820 /nfs/dbraw/zinc/85/08/20/386850820.db2.gz LDQXSMMQPIDCDJ-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCCOC3)C2)C1 ZINC000645187917 386850827 /nfs/dbraw/zinc/85/08/27/386850827.db2.gz LDQXSMMQPIDCDJ-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCCOC3)C2)C1 ZINC000645187917 386850832 /nfs/dbraw/zinc/85/08/32/386850832.db2.gz LDQXSMMQPIDCDJ-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP Clc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000334833288 386872848 /nfs/dbraw/zinc/87/28/48/386872848.db2.gz OLDDXXOEJQAGOD-GDNZZTSVSA-N 2 1 222.719 1.647 20 0 BDADMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414939884 386875297 /nfs/dbraw/zinc/87/52/97/386875297.db2.gz BIIIRUBDYQDTIF-GHMZBOCLSA-N 2 1 235.331 1.326 20 0 BDADMP CC(C)(C)[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414940196 386877891 /nfs/dbraw/zinc/87/78/91/386877891.db2.gz ZHYSUJMRYLLVPU-UHFFFAOYSA-N 2 1 249.349 1.433 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000334837432 386878433 /nfs/dbraw/zinc/87/84/33/386878433.db2.gz MGKMGQFKCPTJEK-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000334842017 386886913 /nfs/dbraw/zinc/88/69/13/386886913.db2.gz ISJYRZAIMNFNHL-ZDUSSCGKSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000335759064 386887977 /nfs/dbraw/zinc/88/79/77/386887977.db2.gz UOSNEHHBHCYMAP-WCQYABFASA-N 3 1 225.380 1.045 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358223138 386914939 /nfs/dbraw/zinc/91/49/39/386914939.db2.gz ACWBWKGFKLMSHV-KBPBESRZSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358223138 386914944 /nfs/dbraw/zinc/91/49/44/386914944.db2.gz ACWBWKGFKLMSHV-KBPBESRZSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358224644 386915302 /nfs/dbraw/zinc/91/53/02/386915302.db2.gz CBBAGDFBBJXDTR-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358224644 386915308 /nfs/dbraw/zinc/91/53/08/386915308.db2.gz CBBAGDFBBJXDTR-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)CC[NH2+]1 ZINC000334861870 386915324 /nfs/dbraw/zinc/91/53/24/386915324.db2.gz FFWAIGKXGTXFPU-PWSUYJOCSA-N 2 1 220.316 1.622 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358250177 386919462 /nfs/dbraw/zinc/91/94/62/386919462.db2.gz LBQVNFMATMODFK-MJBXVCDLSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358250177 386919465 /nfs/dbraw/zinc/91/94/65/386919465.db2.gz LBQVNFMATMODFK-MJBXVCDLSA-N 2 1 240.391 1.467 20 0 BDADMP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358161267 386903918 /nfs/dbraw/zinc/90/39/18/386903918.db2.gz FPJVRACXSQGDDR-OAHLLOKOSA-N 2 1 248.370 1.405 20 0 BDADMP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358161267 386903919 /nfs/dbraw/zinc/90/39/19/386903919.db2.gz FPJVRACXSQGDDR-OAHLLOKOSA-N 2 1 248.370 1.405 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CC[NH2+]1 ZINC000334866421 386924481 /nfs/dbraw/zinc/92/44/81/386924481.db2.gz VZAIQOFAFPUSFA-MWLCHTKSSA-N 2 1 210.346 1.978 20 0 BDADMP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000395111058 386929450 /nfs/dbraw/zinc/92/94/50/386929450.db2.gz BBPUTMNRIOAEBB-CYZMBNFOSA-N 2 1 226.364 1.268 20 0 BDADMP CC[C@H](NC(=O)C[N@@H+](C)C(C)C)c1ncc[nH]1 ZINC000330957949 386930339 /nfs/dbraw/zinc/93/03/39/386930339.db2.gz AFMXQJVPJIJJOU-JTQLQIEISA-N 2 1 238.335 1.317 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000331996287 386938651 /nfs/dbraw/zinc/93/86/51/386938651.db2.gz OCAOOROJMAQXIW-HLTSFMKQSA-N 2 1 240.269 1.159 20 0 BDADMP C[C@@H]([NH2+]CCc1cnn(C)c1)[C@H]1CCCC[NH2+]1 ZINC000395163389 386952806 /nfs/dbraw/zinc/95/28/06/386952806.db2.gz KBDNXDXQYSELDG-DGCLKSJQSA-N 2 1 236.363 1.083 20 0 BDADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)on1 ZINC000334931199 387007531 /nfs/dbraw/zinc/00/75/31/387007531.db2.gz YZWFKPRQDWJUSV-UHFFFAOYSA-N 2 1 221.304 1.250 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000425363735 386972822 /nfs/dbraw/zinc/97/28/22/386972822.db2.gz XTVCDTNMNPLTEN-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CC(N)=O)[NH+](C)C ZINC000341898539 386995170 /nfs/dbraw/zinc/99/51/70/386995170.db2.gz MDGPVKQQDKQPQV-CMPLNLGQSA-N 2 1 243.395 1.206 20 0 BDADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[NH+](C)C ZINC000358913278 387032246 /nfs/dbraw/zinc/03/22/46/387032246.db2.gz HDNCFTKKAGWVTP-GFCCVEGCSA-N 2 1 236.363 1.339 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000333787270 387056704 /nfs/dbraw/zinc/05/67/04/387056704.db2.gz FOOLIGQSJDYNNB-SRVKXCTJSA-N 2 1 234.347 1.435 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000228005516 387060684 /nfs/dbraw/zinc/06/06/84/387060684.db2.gz TXPMSMVGWISGFH-RYUDHWBXSA-N 2 1 243.395 1.064 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000333119184 387018550 /nfs/dbraw/zinc/01/85/50/387018550.db2.gz HVNZLUYJRXNVRK-YNEHKIRRSA-N 2 1 225.380 1.236 20 0 BDADMP Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000333287926 387024710 /nfs/dbraw/zinc/02/47/10/387024710.db2.gz NUIWEEYFLHGONB-FRRDWIJNSA-N 2 1 248.374 1.731 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])c2nccn21 ZINC000333317957 387026996 /nfs/dbraw/zinc/02/69/96/387026996.db2.gz TZIDZNDZNOYWON-VOAKCMCISA-N 2 1 248.374 1.996 20 0 BDADMP CCCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766800 387070766 /nfs/dbraw/zinc/07/07/66/387070766.db2.gz OVPGCXAFTXNYQG-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]12 ZINC000333882708 387070822 /nfs/dbraw/zinc/07/08/22/387070822.db2.gz DYALCNSXNXYFPM-INTQDDNPSA-N 2 1 243.314 1.131 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@]3(CC[NH2+]C3)C2)[nH]1 ZINC000333905088 387074287 /nfs/dbraw/zinc/07/42/87/387074287.db2.gz JRHYFDDCGWSSRO-ZDUSSCGKSA-N 2 1 243.314 1.148 20 0 BDADMP Cc1cnc(CN[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000228430631 387093273 /nfs/dbraw/zinc/09/32/73/387093273.db2.gz TVFDTYWVXYPBEY-KOLCDFICSA-N 2 1 239.388 1.881 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000067570597 387094986 /nfs/dbraw/zinc/09/49/86/387094986.db2.gz NSXNCFUHRLOJTI-UHFFFAOYSA-N 2 1 243.395 1.031 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccn1 ZINC000335011432 387106072 /nfs/dbraw/zinc/10/60/72/387106072.db2.gz MBZJQDXSFPNGRN-NWDGAFQWSA-N 2 1 205.305 1.359 20 0 BDADMP C[N@H+](C[C@H]1CCCCO1)C[C@H]1CCC[NH2+]C1 ZINC000250366122 387115155 /nfs/dbraw/zinc/11/51/55/387115155.db2.gz FYAUPBBJHNIWSV-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1OC ZINC000423300935 387132213 /nfs/dbraw/zinc/13/22/13/387132213.db2.gz GAZZETLHHHVAFX-ZDUSSCGKSA-N 2 1 234.343 1.955 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)Cn1cncn1 ZINC000423299987 387132400 /nfs/dbraw/zinc/13/24/00/387132400.db2.gz QRAKFLKCVNZTLX-VXGBXAGGSA-N 2 1 239.367 1.164 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H](CO)C1 ZINC000370622369 387129136 /nfs/dbraw/zinc/12/91/36/387129136.db2.gz NHFHIHASMMCROV-CQSZACIVSA-N 2 1 242.407 1.813 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000459631826 387143563 /nfs/dbraw/zinc/14/35/63/387143563.db2.gz KSEZDVZKHZGETA-SYQHCUMBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423310894 387149179 /nfs/dbraw/zinc/14/91/79/387149179.db2.gz SOJUAPBSTWAODV-LPWJVIDDSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423310894 387149181 /nfs/dbraw/zinc/14/91/81/387149181.db2.gz SOJUAPBSTWAODV-LPWJVIDDSA-N 3 1 225.380 1.044 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423310894 387149183 /nfs/dbraw/zinc/14/91/83/387149183.db2.gz SOJUAPBSTWAODV-LPWJVIDDSA-N 3 1 225.380 1.044 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423311023 387149251 /nfs/dbraw/zinc/14/92/51/387149251.db2.gz OWSNKIGPKQGVCU-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H](C)C[NH3+])C[C@H]1OC ZINC000423320481 387161641 /nfs/dbraw/zinc/16/16/41/387161641.db2.gz GQJAVDVKHNEHAQ-GMTAPVOTSA-N 2 1 214.353 1.517 20 0 BDADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423320425 387162137 /nfs/dbraw/zinc/16/21/37/387162137.db2.gz GKGVJPKEKJRYKH-IJLUTSLNSA-N 2 1 228.380 1.763 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(CC)CC ZINC000423320315 387163223 /nfs/dbraw/zinc/16/32/23/387163223.db2.gz GDWOLBIZHJALJN-UTUOFQBUSA-N 2 1 228.380 1.907 20 0 BDADMP Nc1ncc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000571762392 387164143 /nfs/dbraw/zinc/16/41/43/387164143.db2.gz IDKQNENHCZATLL-VIFPVBQESA-N 2 1 240.376 1.116 20 0 BDADMP C[C@@H](NCC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423322917 387166153 /nfs/dbraw/zinc/16/61/53/387166153.db2.gz HLZGRRMOXCMWSV-NEPJUHHUSA-N 2 1 225.380 1.106 20 0 BDADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[NH3+])CC2 ZINC000423338587 387188831 /nfs/dbraw/zinc/18/88/31/387188831.db2.gz WGDSVMZDUABZCZ-RNCFNFMXSA-N 2 1 220.316 1.619 20 0 BDADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1cnn(C)c1 ZINC000423341867 387190757 /nfs/dbraw/zinc/19/07/57/387190757.db2.gz YECBZRVNVHULRH-LLVKDONJSA-N 2 1 222.336 1.342 20 0 BDADMP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccn(C)n1 ZINC000423304090 387136896 /nfs/dbraw/zinc/13/68/96/387136896.db2.gz JUFDMKIJVKXRDI-ZJUUUORDSA-N 2 1 210.325 1.056 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423355434 387205772 /nfs/dbraw/zinc/20/57/72/387205772.db2.gz FLGVDRNFKQILJC-RDBSUJKOSA-N 2 1 237.391 1.345 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423355434 387205773 /nfs/dbraw/zinc/20/57/73/387205773.db2.gz FLGVDRNFKQILJC-RDBSUJKOSA-N 3 1 237.391 1.345 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423355434 387205774 /nfs/dbraw/zinc/20/57/74/387205774.db2.gz FLGVDRNFKQILJC-RDBSUJKOSA-N 3 1 237.391 1.345 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423355241 387205966 /nfs/dbraw/zinc/20/59/66/387205966.db2.gz OSCOZKKZHSHQAL-KKUMJFAQSA-N 3 1 249.402 1.369 20 0 BDADMP CN1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423355241 387205968 /nfs/dbraw/zinc/20/59/68/387205968.db2.gz OSCOZKKZHSHQAL-KKUMJFAQSA-N 2 1 249.402 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423357020 387207266 /nfs/dbraw/zinc/20/72/66/387207266.db2.gz RRBPXCMVZSBHDW-WCQYABFASA-N 3 1 223.364 1.026 20 0 BDADMP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000423357020 387207273 /nfs/dbraw/zinc/20/72/73/387207273.db2.gz RRBPXCMVZSBHDW-WCQYABFASA-N 2 1 223.364 1.026 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000300412904 387207694 /nfs/dbraw/zinc/20/76/94/387207694.db2.gz WULKRYKKTVITQV-ZDEQEGDKSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000300412904 387207696 /nfs/dbraw/zinc/20/76/96/387207696.db2.gz WULKRYKKTVITQV-ZDEQEGDKSA-N 2 1 240.391 1.872 20 0 BDADMP COC[C@H]([NH2+][C@@H](C)C[NH3+])C1CCCC1 ZINC000423359254 387209531 /nfs/dbraw/zinc/20/95/31/387209531.db2.gz DBLLGQUZEWEGLX-ONGXEEELSA-N 2 1 200.326 1.128 20 0 BDADMP CN(CC[N@H+](C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000360003976 387211433 /nfs/dbraw/zinc/21/14/33/387211433.db2.gz WEAMJDKHIFNPSB-OAHLLOKOSA-N 2 1 247.386 1.792 20 0 BDADMP CN(CC[N@@H+](C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000360003976 387211438 /nfs/dbraw/zinc/21/14/38/387211438.db2.gz WEAMJDKHIFNPSB-OAHLLOKOSA-N 2 1 247.386 1.792 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353500033 387214601 /nfs/dbraw/zinc/21/46/01/387214601.db2.gz VRJUGGLHNSNIRM-SYQHCUMBSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423362884 387214940 /nfs/dbraw/zinc/21/49/40/387214940.db2.gz ILNAFWKYGVYRBV-GARJFASQSA-N 2 1 214.353 1.515 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353504586 387217983 /nfs/dbraw/zinc/21/79/83/387217983.db2.gz SBONQPMAPHVPOE-CRWXNKLISA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCSCC1 ZINC000423368534 387220520 /nfs/dbraw/zinc/22/05/20/387220520.db2.gz NHJGLCRQQUVRMT-IUCAKERBSA-N 2 1 202.367 1.455 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CC=CCC1 ZINC000572054788 387225809 /nfs/dbraw/zinc/22/58/09/387225809.db2.gz ATKWHLIUVBTGGN-KBPBESRZSA-N 2 1 240.391 1.587 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CC=CCC1 ZINC000572054788 387225812 /nfs/dbraw/zinc/22/58/12/387225812.db2.gz ATKWHLIUVBTGGN-KBPBESRZSA-N 2 1 240.391 1.587 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000572054788 387225816 /nfs/dbraw/zinc/22/58/16/387225816.db2.gz ATKWHLIUVBTGGN-KBPBESRZSA-N 2 1 240.391 1.587 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000572054788 387225818 /nfs/dbraw/zinc/22/58/18/387225818.db2.gz ATKWHLIUVBTGGN-KBPBESRZSA-N 2 1 240.391 1.587 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000353554837 387228742 /nfs/dbraw/zinc/22/87/42/387228742.db2.gz MCCKCZDVYXNJMQ-LBPRGKRZSA-N 2 1 236.363 1.410 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000353554837 387228746 /nfs/dbraw/zinc/22/87/46/387228746.db2.gz MCCKCZDVYXNJMQ-LBPRGKRZSA-N 2 1 236.363 1.410 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000423403610 387240451 /nfs/dbraw/zinc/24/04/51/387240451.db2.gz YQXCHVDGZGMPDU-CZXHOFHRSA-N 2 1 237.391 1.342 20 0 BDADMP Nc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352488281 387247118 /nfs/dbraw/zinc/24/71/18/387247118.db2.gz OHNNXDYOUXIHNQ-AWEZNQCLSA-N 2 1 233.359 1.972 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccs1 ZINC000423418822 387247659 /nfs/dbraw/zinc/24/76/59/387247659.db2.gz AGJQFVGHSVJWMY-REIXXSIJSA-N 2 1 208.330 1.617 20 0 BDADMP C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000423420663 387248348 /nfs/dbraw/zinc/24/83/48/387248348.db2.gz JMRBZCUKFVNRRT-AAVRWANBSA-N 2 1 239.407 1.482 20 0 BDADMP N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423415255 387249154 /nfs/dbraw/zinc/24/91/54/387249154.db2.gz AKDNJIBSLQVRKF-LPWJVIDDSA-N 2 1 225.380 1.221 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000352488929 387251038 /nfs/dbraw/zinc/25/10/38/387251038.db2.gz WEAYTHSNLFSKBE-CQSZACIVSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1CCCCN1 ZINC000423427130 387251996 /nfs/dbraw/zinc/25/19/96/387251996.db2.gz IEIXUYWTQBLZTN-YNEHKIRRSA-N 2 1 227.396 1.624 20 0 BDADMP C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423461967 387310429 /nfs/dbraw/zinc/31/04/29/387310429.db2.gz DAXXMXQLFQRZJO-UMSGYPCISA-N 2 1 225.380 1.234 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cn1 ZINC000423387156 387272433 /nfs/dbraw/zinc/27/24/33/387272433.db2.gz HTDYALJWXSGFGK-SCVCMEIPSA-N 2 1 237.322 1.869 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000161851514 387273505 /nfs/dbraw/zinc/27/35/05/387273505.db2.gz DMAMVTJHHTVAJB-CYBMUJFWSA-N 2 1 235.375 1.847 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423391475 387276339 /nfs/dbraw/zinc/27/63/39/387276339.db2.gz PMISUJXWHTXCJD-RYUDHWBXSA-N 3 1 227.396 1.482 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000643498364 387278381 /nfs/dbraw/zinc/27/83/81/387278381.db2.gz IEZKDRKHPOMZLV-MRVPVSSYSA-N 2 1 213.350 1.712 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000423395170 387282200 /nfs/dbraw/zinc/28/22/00/387282200.db2.gz NGAGPHVSSLNMBN-UHXUPSOCSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CN1C1CC1 ZINC000423395170 387282204 /nfs/dbraw/zinc/28/22/04/387282204.db2.gz NGAGPHVSSLNMBN-UHXUPSOCSA-N 2 1 237.391 1.199 20 0 BDADMP CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccnc1 ZINC000423433062 387283904 /nfs/dbraw/zinc/28/39/04/387283904.db2.gz MURBBQPVXWCOGY-RQJABVFESA-N 2 1 231.343 1.730 20 0 BDADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437849 387288271 /nfs/dbraw/zinc/28/82/71/387288271.db2.gz QWMVNVWTQLXZJA-KQKFKXPDSA-N 2 1 246.329 1.866 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423444582 387295792 /nfs/dbraw/zinc/29/57/92/387295792.db2.gz BCFKNXMMTDFWMJ-IPYPFGDCSA-N 3 1 249.402 1.662 20 0 BDADMP Cc1cnn(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000285949375 387296071 /nfs/dbraw/zinc/29/60/71/387296071.db2.gz MPCLFDAFWSNKRF-UHFFFAOYSA-N 2 1 234.347 1.080 20 0 BDADMP CCOC1CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459791758 387298538 /nfs/dbraw/zinc/29/85/38/387298538.db2.gz RVXWTYINDBNFGW-IYXRBSQSSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+]CCC[NH+]2CCC2)CCO1 ZINC000514872487 387306161 /nfs/dbraw/zinc/30/61/61/387306161.db2.gz HYSYTHRVALQXLI-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532625 387359203 /nfs/dbraw/zinc/35/92/03/387359203.db2.gz VMEVDFUYQVEOQR-CYBMUJFWSA-N 2 1 248.374 1.529 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000515305616 387361797 /nfs/dbraw/zinc/36/17/97/387361797.db2.gz CEBUMBFIBUJULP-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453448 387371681 /nfs/dbraw/zinc/37/16/81/387371681.db2.gz BWDAFMJUWSVIKS-OSAQELSMSA-N 2 1 230.355 1.914 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC[C@H]1CCOC1 ZINC000514973723 387322003 /nfs/dbraw/zinc/32/20/03/387322003.db2.gz ZBCPBKQDSKLRHJ-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC[C@H]1CCOC1 ZINC000514973723 387322009 /nfs/dbraw/zinc/32/20/09/387322009.db2.gz ZBCPBKQDSKLRHJ-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC[C@H]1CCOC1 ZINC000514973723 387322014 /nfs/dbraw/zinc/32/20/14/387322014.db2.gz ZBCPBKQDSKLRHJ-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC[C@H]1CCOC1 ZINC000514973723 387322021 /nfs/dbraw/zinc/32/20/21/387322021.db2.gz ZBCPBKQDSKLRHJ-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC[C@H]1CCOC1 ZINC000514973726 387322379 /nfs/dbraw/zinc/32/23/79/387322379.db2.gz ZBCPBKQDSKLRHJ-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC[C@H]1CCOC1 ZINC000514973726 387322386 /nfs/dbraw/zinc/32/23/86/387322386.db2.gz ZBCPBKQDSKLRHJ-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462872 387322312 /nfs/dbraw/zinc/32/23/12/387322312.db2.gz PXONHHBTUQVDBE-KWCYVHTRSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC[C@H]1CCOC1 ZINC000514973726 387322391 /nfs/dbraw/zinc/32/23/91/387322391.db2.gz ZBCPBKQDSKLRHJ-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC[C@H]1CCOC1 ZINC000514973726 387322397 /nfs/dbraw/zinc/32/23/97/387322397.db2.gz ZBCPBKQDSKLRHJ-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H](NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423480092 387327951 /nfs/dbraw/zinc/32/79/51/387327951.db2.gz MVIKJZQMFUMSDR-MJBXVCDLSA-N 2 1 239.407 1.639 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423482392 387328659 /nfs/dbraw/zinc/32/86/59/387328659.db2.gz RLOOWWVOEMNNLS-KGLIPLIRSA-N 2 1 239.407 1.615 20 0 BDADMP C[C@H](NCCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423487933 387333923 /nfs/dbraw/zinc/33/39/23/387333923.db2.gz UVVBHIVKOAHVTH-RWMBFGLXSA-N 2 1 225.380 1.249 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000354148598 387335882 /nfs/dbraw/zinc/33/58/82/387335882.db2.gz YBHYIDWGSXZZSM-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccccc2C1 ZINC000515174995 387343102 /nfs/dbraw/zinc/34/31/02/387343102.db2.gz YIXSXBBEFNFRHX-CQSZACIVSA-N 2 1 234.343 1.015 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccccc2C1 ZINC000515174995 387343106 /nfs/dbraw/zinc/34/31/06/387343106.db2.gz YIXSXBBEFNFRHX-CQSZACIVSA-N 2 1 234.343 1.015 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000572360288 387345062 /nfs/dbraw/zinc/34/50/62/387345062.db2.gz QCFXDNCBXKFUCJ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000572360288 387345064 /nfs/dbraw/zinc/34/50/64/387345064.db2.gz QCFXDNCBXKFUCJ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C(C)C ZINC000423508693 387345395 /nfs/dbraw/zinc/34/53/95/387345395.db2.gz JBGQURVGYMGNFX-OLZOCXBDSA-N 2 1 228.380 1.765 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CCCOC1 ZINC000423506668 387345873 /nfs/dbraw/zinc/34/58/73/387345873.db2.gz PETWMZFCNWURIX-UBHSHLNASA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423510548 387347458 /nfs/dbraw/zinc/34/74/58/387347458.db2.gz SLXJLUMSGWAVBZ-KGYLQXTDSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423520177 387352300 /nfs/dbraw/zinc/35/23/00/387352300.db2.gz PUNNYQVMQIQVMA-OCCSQVGLSA-N 2 1 234.343 1.716 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423520106 387352615 /nfs/dbraw/zinc/35/26/15/387352615.db2.gz DQCTZCJCGXSENO-DYEKYZERSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423520106 387352619 /nfs/dbraw/zinc/35/26/19/387352619.db2.gz DQCTZCJCGXSENO-DYEKYZERSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423520106 387352626 /nfs/dbraw/zinc/35/26/26/387352626.db2.gz DQCTZCJCGXSENO-DYEKYZERSA-N 3 1 239.407 1.447 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423521713 387353137 /nfs/dbraw/zinc/35/31/37/387353137.db2.gz GPNMMEBGMAWZHM-JTQLQIEISA-N 2 1 236.363 1.521 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[C@H]1O ZINC000352699402 387442453 /nfs/dbraw/zinc/44/24/53/387442453.db2.gz QRINWZYJSIESRI-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@H]1O ZINC000352699402 387442461 /nfs/dbraw/zinc/44/24/61/387442461.db2.gz QRINWZYJSIESRI-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[C@H]1O ZINC000352699402 387442466 /nfs/dbraw/zinc/44/24/66/387442466.db2.gz QRINWZYJSIESRI-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000643466268 387386762 /nfs/dbraw/zinc/38/67/62/387386762.db2.gz OAZNFKCZAVSVMJ-OLZOCXBDSA-N 2 1 240.391 1.517 20 0 BDADMP Cc1cnccc1C[NH2+]CCC[NH+]1CCC1 ZINC000516491184 387510761 /nfs/dbraw/zinc/51/07/61/387510761.db2.gz XYAMUXPGZODMFA-UHFFFAOYSA-N 2 1 219.332 1.575 20 0 BDADMP CC[NH+](CC)CCN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375215794 387517416 /nfs/dbraw/zinc/51/74/16/387517416.db2.gz PQNXBDVMSVAEAF-KBPBESRZSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000643506291 387465633 /nfs/dbraw/zinc/46/56/33/387465633.db2.gz QZFWTWMABQTAOI-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000374690967 387481352 /nfs/dbraw/zinc/48/13/52/387481352.db2.gz BWLYUMZQSCRCTL-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000374690967 387481357 /nfs/dbraw/zinc/48/13/57/387481357.db2.gz BWLYUMZQSCRCTL-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000643512927 387596879 /nfs/dbraw/zinc/59/68/79/387596879.db2.gz LGEMQNIEAZHGLG-IJLUTSLNSA-N 2 1 212.337 1.271 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000422560693 387602530 /nfs/dbraw/zinc/60/25/30/387602530.db2.gz HPJZAZIKPIZKGK-BZPMIXESSA-N 3 1 239.407 1.291 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422695585 387612881 /nfs/dbraw/zinc/61/28/81/387612881.db2.gz QAVVDMFQRATZKP-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422694302 387613262 /nfs/dbraw/zinc/61/32/62/387613262.db2.gz NSQCTRMRPMOITA-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422702385 387617296 /nfs/dbraw/zinc/61/72/96/387617296.db2.gz DZFDJCBVUFUGPY-DRZSPHRISA-N 2 1 228.380 1.514 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422702413 387617913 /nfs/dbraw/zinc/61/79/13/387617913.db2.gz FCFKSADYZMOJRN-YUTCNCBUSA-N 2 1 242.407 1.904 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422707204 387620577 /nfs/dbraw/zinc/62/05/77/387620577.db2.gz GSTHYIVRRXRSJG-UONOGXRCSA-N 2 1 241.423 1.696 20 0 BDADMP CCCCN(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422707204 387620581 /nfs/dbraw/zinc/62/05/81/387620581.db2.gz GSTHYIVRRXRSJG-UONOGXRCSA-N 2 1 241.423 1.696 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422708584 387622336 /nfs/dbraw/zinc/62/23/36/387622336.db2.gz JHRFNGJUFZOAID-NNYUYHANSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H](NCC[N@@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422708499 387622507 /nfs/dbraw/zinc/62/25/07/387622507.db2.gz XXEPYWXRSCMSNT-GFCCVEGCSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422708582 387623860 /nfs/dbraw/zinc/62/38/60/387623860.db2.gz JHRFNGJUFZOAID-FIQHERPVSA-N 2 1 214.353 1.124 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)nc1 ZINC000399680618 387566240 /nfs/dbraw/zinc/56/62/40/387566240.db2.gz QJIPFAUCDBQOJT-HIFRSBDPSA-N 2 1 247.386 1.862 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@](C)(C[NH3+])C2CC2)s1 ZINC000430581468 387631304 /nfs/dbraw/zinc/63/13/04/387631304.db2.gz JDVLVOWEUGKFLV-GFCCVEGCSA-N 2 1 239.388 1.977 20 0 BDADMP Cc1cn[nH]c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000356234342 387632166 /nfs/dbraw/zinc/63/21/66/387632166.db2.gz SXVWEEWYMYEEBR-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP Cc1c[nH]nc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000356234342 387632175 /nfs/dbraw/zinc/63/21/75/387632175.db2.gz SXVWEEWYMYEEBR-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000422719504 387633650 /nfs/dbraw/zinc/63/36/50/387633650.db2.gz YHEVJRFIKYWPMB-RDBSUJKOSA-N 3 1 241.423 1.824 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422724546 387634209 /nfs/dbraw/zinc/63/42/09/387634209.db2.gz VYQDRJDHWBNTRY-OLZOCXBDSA-N 3 1 236.363 1.299 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000042589487 387634695 /nfs/dbraw/zinc/63/46/95/387634695.db2.gz ZKNMHTVIQHFACG-STQMWFEESA-N 2 1 230.396 1.713 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCC[NH3+] ZINC000422727589 387635536 /nfs/dbraw/zinc/63/55/36/387635536.db2.gz HNAFLEQPNKEFQT-ZIAGYGMSSA-N 3 1 241.423 1.968 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCC[NH3+] ZINC000422727589 387635541 /nfs/dbraw/zinc/63/55/41/387635541.db2.gz HNAFLEQPNKEFQT-ZIAGYGMSSA-N 3 1 241.423 1.968 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422725475 387635852 /nfs/dbraw/zinc/63/58/52/387635852.db2.gz BMGOUNKUYOTKHU-RDBSUJKOSA-N 2 1 239.407 1.720 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430619194 387636708 /nfs/dbraw/zinc/63/67/08/387636708.db2.gz ZSKVFQARKAEHLC-NSHDSACASA-N 2 1 237.347 1.716 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430619194 387636712 /nfs/dbraw/zinc/63/67/12/387636712.db2.gz ZSKVFQARKAEHLC-NSHDSACASA-N 2 1 237.347 1.716 20 0 BDADMP CC[C@@H]([NH2+]CCc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000422733536 387640909 /nfs/dbraw/zinc/64/09/09/387640909.db2.gz RCIDARAIZWHFSE-KGLIPLIRSA-N 2 1 233.359 1.744 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000422739856 387646711 /nfs/dbraw/zinc/64/67/11/387646711.db2.gz MAWYYMCSQXKWNT-STQMWFEESA-N 2 1 225.380 1.330 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000643518504 387649484 /nfs/dbraw/zinc/64/94/84/387649484.db2.gz QJIMMODFAJPSQJ-GXFFZTMASA-N 2 1 236.363 1.758 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747626 387650942 /nfs/dbraw/zinc/65/09/42/387650942.db2.gz ZCLSCNWPQDGYND-YUELXQCFSA-N 2 1 248.370 1.320 20 0 BDADMP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000430795687 387651446 /nfs/dbraw/zinc/65/14/46/387651446.db2.gz HKONPHPLPALHIG-SRVKXCTJSA-N 2 1 241.379 1.055 20 0 BDADMP C[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@@H+](C)C1CC1 ZINC000422747883 387651550 /nfs/dbraw/zinc/65/15/50/387651550.db2.gz ZSSIWNRFMGLENZ-QWRGUYRKSA-N 2 1 248.374 1.627 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422750023 387655068 /nfs/dbraw/zinc/65/50/68/387655068.db2.gz BWNLKYZSSVDVQQ-RWMBFGLXSA-N 2 1 228.380 1.922 20 0 BDADMP CC(C)OCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422755515 387658637 /nfs/dbraw/zinc/65/86/37/387658637.db2.gz IEAVEGRZILIIOA-LLVKDONJSA-N 2 1 237.347 1.960 20 0 BDADMP CCCC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422795209 387695648 /nfs/dbraw/zinc/69/56/48/387695648.db2.gz ZZBCWBREBHPSPI-STQMWFEESA-N 3 1 241.423 1.966 20 0 BDADMP COc1ccccc1[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422768632 387667938 /nfs/dbraw/zinc/66/79/38/387667938.db2.gz ZIEVGAOYDLLFFI-QWRGUYRKSA-N 2 1 234.343 1.954 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422767831 387669084 /nfs/dbraw/zinc/66/90/84/387669084.db2.gz RRWUDSRBGGOMOB-GARJFASQSA-N 2 1 200.326 1.142 20 0 BDADMP CSCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362925754 387673352 /nfs/dbraw/zinc/67/33/52/387673352.db2.gz LXDWCRLSNGSDNW-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362925754 387673357 /nfs/dbraw/zinc/67/33/57/387673357.db2.gz LXDWCRLSNGSDNW-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362925754 387673360 /nfs/dbraw/zinc/67/33/60/387673360.db2.gz LXDWCRLSNGSDNW-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422780327 387678244 /nfs/dbraw/zinc/67/82/44/387678244.db2.gz CVWIDPZNBWDDET-FVCCEPFGSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422780565 387679040 /nfs/dbraw/zinc/67/90/40/387679040.db2.gz KIZAVDJXCZAMKT-ZOBORPQBSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000422784078 387684815 /nfs/dbraw/zinc/68/48/15/387684815.db2.gz PFYHGSQHOQRGNX-YIYPIFLZSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C1C[NH2+]C1 ZINC000422744315 387689220 /nfs/dbraw/zinc/68/92/20/387689220.db2.gz JXDIVTKPHONKED-SECBINFHSA-N 2 1 234.299 1.113 20 0 BDADMP C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422743904 387690239 /nfs/dbraw/zinc/69/02/39/387690239.db2.gz SDDZISNOVSUJHI-KWCYVHTRSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N(C)C1CC1 ZINC000422743904 387690246 /nfs/dbraw/zinc/69/02/46/387690246.db2.gz SDDZISNOVSUJHI-KWCYVHTRSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000422861762 387744658 /nfs/dbraw/zinc/74/46/58/387744658.db2.gz JNNRUFPINIRTRQ-RSLMWUCJSA-N 2 1 223.364 1.081 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CN1C1CC1 ZINC000422861762 387744659 /nfs/dbraw/zinc/74/46/59/387744659.db2.gz JNNRUFPINIRTRQ-RSLMWUCJSA-N 2 1 223.364 1.081 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877132 387756304 /nfs/dbraw/zinc/75/63/04/387756304.db2.gz RBJJWJFLIZZDDN-MHDGFBEUSA-N 2 1 237.391 1.057 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CCCO)C1 ZINC000452117849 387745710 /nfs/dbraw/zinc/74/57/10/387745710.db2.gz IQBMBTLROCOSAB-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452117849 387745712 /nfs/dbraw/zinc/74/57/12/387745712.db2.gz IQBMBTLROCOSAB-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](CCCO)C1 ZINC000452117849 387745717 /nfs/dbraw/zinc/74/57/17/387745717.db2.gz IQBMBTLROCOSAB-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCC(C)CC1 ZINC000422867007 387746002 /nfs/dbraw/zinc/74/60/02/387746002.db2.gz RNQDATOUGXOURR-CHWSQXEVSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000422865695 387747439 /nfs/dbraw/zinc/74/74/39/387747439.db2.gz PIMPWJOENGWABA-BJDJZHNGSA-N 2 1 225.380 1.327 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000422865695 387747446 /nfs/dbraw/zinc/74/74/46/387747446.db2.gz PIMPWJOENGWABA-BJDJZHNGSA-N 2 1 225.380 1.327 20 0 BDADMP CC[N@H+](CC[NH2+][C@H](C)CCCC[NH3+])C(C)C ZINC000422875759 387752042 /nfs/dbraw/zinc/75/20/42/387752042.db2.gz DDJJNZQDZFGNOZ-CYBMUJFWSA-N 3 1 229.412 1.824 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H](C)CCCC[NH3+])C(C)C ZINC000422875759 387752047 /nfs/dbraw/zinc/75/20/47/387752047.db2.gz DDJJNZQDZFGNOZ-CYBMUJFWSA-N 3 1 229.412 1.824 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000422873822 387752256 /nfs/dbraw/zinc/75/22/56/387752256.db2.gz BFVOKIRQKHPTGC-XUXIUFHCSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000422873142 387753698 /nfs/dbraw/zinc/75/36/98/387753698.db2.gz KFPWOXUBBHAWJX-BZPMIXESSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422873142 387753700 /nfs/dbraw/zinc/75/37/00/387753700.db2.gz KFPWOXUBBHAWJX-BZPMIXESSA-N 2 1 237.391 1.201 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422876909 387754790 /nfs/dbraw/zinc/75/47/90/387754790.db2.gz GRKZTBBYPVUQPH-QWRGUYRKSA-N 2 1 213.369 1.186 20 0 BDADMP CCN(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422876909 387754799 /nfs/dbraw/zinc/75/47/99/387754799.db2.gz GRKZTBBYPVUQPH-QWRGUYRKSA-N 2 1 213.369 1.186 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527782538 387709179 /nfs/dbraw/zinc/70/91/79/387709179.db2.gz FVUWMFVFFDIKHV-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP CCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422813826 387711074 /nfs/dbraw/zinc/71/10/74/387711074.db2.gz SMKYPPBQMYRRQV-STQMWFEESA-N 2 1 240.391 1.781 20 0 BDADMP COC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000045655908 387718731 /nfs/dbraw/zinc/71/87/31/387718731.db2.gz CWRCDNMOCWCAQV-WODVXLOZSA-N 2 1 226.364 1.484 20 0 BDADMP COCCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422829434 387722503 /nfs/dbraw/zinc/72/25/03/387722503.db2.gz UMOSYKAMZVCMDG-VXGBXAGGSA-N 2 1 214.353 1.391 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452071836 387726080 /nfs/dbraw/zinc/72/60/80/387726080.db2.gz SIQVKLFOPMJSFY-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000422834282 387726208 /nfs/dbraw/zinc/72/62/08/387726208.db2.gz NREZZSVEPVHBOF-BZPMIXESSA-N 2 1 237.391 1.058 20 0 BDADMP C[NH+](C)CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127722135 387726630 /nfs/dbraw/zinc/72/66/30/387726630.db2.gz VUALUSZOYMUJJE-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cn1 ZINC000422838638 387727717 /nfs/dbraw/zinc/72/77/17/387727717.db2.gz XWFRVWWYAAYKOE-NWDGAFQWSA-N 2 1 234.347 1.117 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422835737 387729050 /nfs/dbraw/zinc/72/90/50/387729050.db2.gz IZAAMTCDUQSORD-DYEKYZERSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422855564 387737602 /nfs/dbraw/zinc/73/76/02/387737602.db2.gz FCWKSFFXUFLEFR-MCIONIFRSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422855564 387737608 /nfs/dbraw/zinc/73/76/08/387737608.db2.gz FCWKSFFXUFLEFR-MCIONIFRSA-N 3 1 241.423 1.824 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000356880419 387739498 /nfs/dbraw/zinc/73/94/98/387739498.db2.gz UJVRPRFQKKKRES-MGPQQGTHSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422891856 387763417 /nfs/dbraw/zinc/76/34/17/387763417.db2.gz LSMIPFYZUJJMFM-NXEZZACHSA-N 2 1 223.320 1.306 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422898814 387765918 /nfs/dbraw/zinc/76/59/18/387765918.db2.gz GCXYYWZNABABJT-ZJUUUORDSA-N 2 1 223.320 1.570 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000643527479 387766057 /nfs/dbraw/zinc/76/60/57/387766057.db2.gz NMMIGHSCNMFXDN-GHMZBOCLSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1nccs1 ZINC000422913848 387771950 /nfs/dbraw/zinc/77/19/50/387771950.db2.gz QXMIPOLFLFNUME-WDEREUQCSA-N 2 1 239.388 1.663 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309446081 387779100 /nfs/dbraw/zinc/77/91/00/387779100.db2.gz PDCOSHNJRRFXCF-WCQYABFASA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309446081 387779105 /nfs/dbraw/zinc/77/91/05/387779105.db2.gz PDCOSHNJRRFXCF-WCQYABFASA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@@H]([NH2+]CCC(=O)NC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422936074 387782686 /nfs/dbraw/zinc/78/26/86/387782686.db2.gz HYHISRINZPGOEV-NEPJUHHUSA-N 2 1 241.379 1.021 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422978536 387788961 /nfs/dbraw/zinc/78/89/61/387788961.db2.gz ZNMGWQDNXFYPGQ-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422978594 387789204 /nfs/dbraw/zinc/78/92/04/387789204.db2.gz ZSQZQKNYOKHCSR-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422979261 387790190 /nfs/dbraw/zinc/79/01/90/387790190.db2.gz MJWBDAGXJNXOQO-IZGVIRRGSA-N 2 1 246.354 1.593 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)[C@@H]1CCC[NH2+]1 ZINC000422979751 387791871 /nfs/dbraw/zinc/79/18/71/387791871.db2.gz NRTTTYNYGKZTEK-NOOOWODRSA-N 2 1 246.420 1.219 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422982400 387794422 /nfs/dbraw/zinc/79/44/22/387794422.db2.gz WOUGKWFUTXMSSK-FRRDWIJNSA-N 2 1 228.380 1.658 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccccc21 ZINC000422990107 387800921 /nfs/dbraw/zinc/80/09/21/387800921.db2.gz BNIQKVSVXQVWRQ-JLUCKKNBSA-N 2 1 244.338 1.658 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000528001130 387808658 /nfs/dbraw/zinc/80/86/58/387808658.db2.gz HPGSEVGWHLTROK-MEWQQHAOSA-N 2 1 226.364 1.482 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527855761 387758382 /nfs/dbraw/zinc/75/83/82/387758382.db2.gz OATVGQYTZQFRJV-ZYHUDNBSSA-N 2 1 219.332 1.970 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422885943 387759831 /nfs/dbraw/zinc/75/98/31/387759831.db2.gz ZPAWDGGXORLVIB-UONOGXRCSA-N 2 1 241.423 1.694 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422885941 387761302 /nfs/dbraw/zinc/76/13/02/387761302.db2.gz ZPAWDGGXORLVIB-KBPBESRZSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1c[nH+]ccc1N ZINC000422975242 387823542 /nfs/dbraw/zinc/82/35/42/387823542.db2.gz GGNSOIOGITZNPK-NOZJJQNGSA-N 2 1 235.331 1.306 20 0 BDADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000423005396 387829395 /nfs/dbraw/zinc/82/93/95/387829395.db2.gz RWQMUXTWTQSRDX-ZIAGYGMSSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000423005396 387829401 /nfs/dbraw/zinc/82/94/01/387829401.db2.gz RWQMUXTWTQSRDX-ZIAGYGMSSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CC[N@H+]1C ZINC000313313860 387829515 /nfs/dbraw/zinc/82/95/15/387829515.db2.gz ZSGGOFHFLBSNCA-RYUDHWBXSA-N 2 1 236.363 1.035 20 0 BDADMP COc1cccnc1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000528026254 387829754 /nfs/dbraw/zinc/82/97/54/387829754.db2.gz NWOXKBXNGXDUNK-AWEZNQCLSA-N 2 1 247.342 1.622 20 0 BDADMP CCc1noc(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442752675 387835005 /nfs/dbraw/zinc/83/50/05/387835005.db2.gz FGTAVSBSJXBWSL-GXSJLCMTSA-N 2 1 237.347 1.715 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423013076 387836964 /nfs/dbraw/zinc/83/69/64/387836964.db2.gz MADSTAHEJRLJEL-MROQNXINSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423014394 387838188 /nfs/dbraw/zinc/83/81/88/387838188.db2.gz IIRNMYWAURMSNZ-IRCOFANPSA-N 2 1 212.337 1.142 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423073904 387873524 /nfs/dbraw/zinc/87/35/24/387873524.db2.gz SONWTBNHXVBDJS-NNYUYHANSA-N 2 1 212.337 1.142 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423019518 387840326 /nfs/dbraw/zinc/84/03/26/387840326.db2.gz WBDWZJIHOWWTOI-FVCCEPFGSA-N 2 1 226.364 1.389 20 0 BDADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1 ZINC000643533597 387848235 /nfs/dbraw/zinc/84/82/35/387848235.db2.gz VMOANMVDTZHDJW-ZZVYKPCYSA-N 2 1 231.343 1.567 20 0 BDADMP COCCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423033783 387848601 /nfs/dbraw/zinc/84/86/01/387848601.db2.gz GXOGYJVYHDEQOD-VXGBXAGGSA-N 2 1 228.380 1.637 20 0 BDADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1C ZINC000423034160 387849017 /nfs/dbraw/zinc/84/90/17/387849017.db2.gz PMIFKRZYGLBJDQ-SYCZCVCYSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1C ZINC000423034160 387849022 /nfs/dbraw/zinc/84/90/22/387849022.db2.gz PMIFKRZYGLBJDQ-SYCZCVCYSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423032805 387849257 /nfs/dbraw/zinc/84/92/57/387849257.db2.gz YRRRVMHYUVBCIV-MRVWCRGKSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000423042897 387856280 /nfs/dbraw/zinc/85/62/80/387856280.db2.gz MPDLCNNFOHUOAG-JHJVBQTASA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000423046040 387857662 /nfs/dbraw/zinc/85/76/62/387857662.db2.gz DVMOCIBSHOGBOR-VZZFWQQMSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(F)(F)F ZINC000423053652 387861923 /nfs/dbraw/zinc/86/19/23/387861923.db2.gz SEBYPEUVPUARLR-GJMOJQLCSA-N 2 1 210.243 1.654 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000643535850 387865343 /nfs/dbraw/zinc/86/53/43/387865343.db2.gz JWDGDHCQNIULNB-JHJVBQTASA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCCN1 ZINC000643535850 387865346 /nfs/dbraw/zinc/86/53/46/387865346.db2.gz JWDGDHCQNIULNB-JHJVBQTASA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000423065132 387867395 /nfs/dbraw/zinc/86/73/95/387867395.db2.gz SWNHBJFJADTLPD-VOAKCMCISA-N 2 1 226.364 1.125 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423068170 387870282 /nfs/dbraw/zinc/87/02/82/387870282.db2.gz JGGVPBGTEDWICF-RYUDHWBXSA-N 2 1 228.380 1.515 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423067985 387870350 /nfs/dbraw/zinc/87/03/50/387870350.db2.gz JAQXDGCLSJHCBE-VXGBXAGGSA-N 2 1 228.380 1.658 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423069802 387871949 /nfs/dbraw/zinc/87/19/49/387871949.db2.gz MFLANNUNQYODGV-UKKRHICBSA-N 2 1 200.326 1.140 20 0 BDADMP C[C@H]([NH2+]CCc1ccc(CO)cc1)[C@@H]1CCC[NH2+]1 ZINC000643478234 387814627 /nfs/dbraw/zinc/81/46/27/387814627.db2.gz KBTNMXASZQEGSD-WFASDCNBSA-N 2 1 248.370 1.452 20 0 BDADMP C[C@@H]([NH2+]CCc1ccc(CO)cc1)[C@H]1CCC[NH2+]1 ZINC000643478232 387814930 /nfs/dbraw/zinc/81/49/30/387814930.db2.gz KBTNMXASZQEGSD-IUODEOHRSA-N 2 1 248.370 1.452 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000422965445 387816195 /nfs/dbraw/zinc/81/61/95/387816195.db2.gz ORIYRCUCFFKJEW-CHWSQXEVSA-N 2 1 238.306 1.287 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423071863 387872726 /nfs/dbraw/zinc/87/27/26/387872726.db2.gz GCNVRHCNGMCGJL-SCRDCRAPSA-N 2 1 239.407 1.719 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422969013 387819680 /nfs/dbraw/zinc/81/96/80/387819680.db2.gz YLRVKPQLJIZMKN-QWHCGFSZSA-N 2 1 249.358 1.840 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H](CCO)C(C)(C)C)CC1 ZINC000158083531 387890552 /nfs/dbraw/zinc/89/05/52/387890552.db2.gz UTTWMPVEQVTRJM-LBPRGKRZSA-N 2 1 228.380 1.467 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423106459 387891517 /nfs/dbraw/zinc/89/15/17/387891517.db2.gz CVWIDPZNBWDDET-NDBYEHHHSA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)SCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423107602 387891943 /nfs/dbraw/zinc/89/19/43/387891943.db2.gz LCFIJIPFBKMLMZ-WDEREUQCSA-N 2 1 216.394 1.716 20 0 BDADMP c1cc2cc(CC[NH2+][C@@H]3CC[NH2+]C3)ccc2[nH]1 ZINC000423113632 387895518 /nfs/dbraw/zinc/89/55/18/387895518.db2.gz YSIOMPANLABKKQ-CYBMUJFWSA-N 2 1 229.327 1.662 20 0 BDADMP C[C@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000194953178 387898992 /nfs/dbraw/zinc/89/89/92/387898992.db2.gz DUFPYYIFDSVZFJ-NSHDSACASA-N 2 1 237.347 1.055 20 0 BDADMP CCOC1CC(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423076821 387877245 /nfs/dbraw/zinc/87/72/45/387877245.db2.gz ZWRJPMJBDKOYSA-ABXWRUBCSA-N 2 1 240.391 1.779 20 0 BDADMP CSC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423090151 387883843 /nfs/dbraw/zinc/88/38/43/387883843.db2.gz UOVMJOUZVWNOMD-ZJUUUORDSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1c[nH+]ccc1N ZINC000423102482 387888481 /nfs/dbraw/zinc/88/84/81/387888481.db2.gz FIGMIYLCCFYRTA-GRYCIOLGSA-N 2 1 249.358 1.817 20 0 BDADMP CC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000423141630 387918501 /nfs/dbraw/zinc/91/85/01/387918501.db2.gz QZPVLNAPSKRJNP-WOPDTQHZSA-N 2 1 214.353 1.532 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423116116 387899347 /nfs/dbraw/zinc/89/93/47/387899347.db2.gz ZPJMGJAPMFLHLB-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)[C@H]1CC[NH2+]C1 ZINC000423124249 387902741 /nfs/dbraw/zinc/90/27/41/387902741.db2.gz OBHUVFJZCVUHGP-JQWIXIFHSA-N 2 1 244.342 1.651 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000423126707 387904655 /nfs/dbraw/zinc/90/46/55/387904655.db2.gz SMFHBKLKEKXFBH-OUCADQQQSA-N 2 1 246.354 1.893 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423131481 387909553 /nfs/dbraw/zinc/90/95/53/387909553.db2.gz NZFIAGDSKLDWIB-WDEREUQCSA-N 2 1 214.353 1.247 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[NH3+] ZINC000423144673 387919852 /nfs/dbraw/zinc/91/98/52/387919852.db2.gz ZJDCDAMNVSYKNE-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)CC1CCC1)[C@H]1CCC[NH2+]1 ZINC000423135795 387914298 /nfs/dbraw/zinc/91/42/98/387914298.db2.gz ULHAEWJVCDEZGN-CYZMBNFOSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@H]([NH2+]CCCCF)c1c[nH+]ccc1N ZINC000423137579 387914711 /nfs/dbraw/zinc/91/47/11/387914711.db2.gz IFJBXGRIKSPFSC-VIFPVBQESA-N 2 1 211.284 1.894 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423139461 387915558 /nfs/dbraw/zinc/91/55/58/387915558.db2.gz KTNVFEDCEVRGQQ-FRRDWIJNSA-N 2 1 229.412 1.822 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423139464 387916084 /nfs/dbraw/zinc/91/60/84/387916084.db2.gz KTNVFEDCEVRGQQ-UPJWGTAASA-N 2 1 229.412 1.822 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[C@H]1[NH3+] ZINC000423144670 387920210 /nfs/dbraw/zinc/92/02/10/387920210.db2.gz ZJDCDAMNVSYKNE-UPJWGTAASA-N 2 1 227.396 1.576 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000423143281 387920534 /nfs/dbraw/zinc/92/05/34/387920534.db2.gz WWFQEBMXFVEMOK-GRYCIOLGSA-N 2 1 214.353 1.532 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000423168338 387953093 /nfs/dbraw/zinc/95/30/93/387953093.db2.gz UKWBBGMRVCDJME-RYUDHWBXSA-N 2 1 225.380 1.330 20 0 BDADMP CCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000423168771 387954127 /nfs/dbraw/zinc/95/41/27/387954127.db2.gz YKUUEAYVKNYUKR-ZYHUDNBSSA-N 2 1 237.347 1.844 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423160402 387940756 /nfs/dbraw/zinc/94/07/56/387940756.db2.gz HCTHRZFOHAOHSK-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423160504 387941424 /nfs/dbraw/zinc/94/14/24/387941424.db2.gz HPCKHZHLHUCBTL-FDYHWXHSSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423161231 387942670 /nfs/dbraw/zinc/94/26/70/387942670.db2.gz RSSBUVDVDJUGCC-UWVGGRQHSA-N 2 1 237.347 1.694 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423161761 387942948 /nfs/dbraw/zinc/94/29/48/387942948.db2.gz JNYMTTYZXZOIHJ-RYUDHWBXSA-N 3 1 227.396 1.576 20 0 BDADMP C[N@@H+](CCOc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000226434398 387946775 /nfs/dbraw/zinc/94/67/75/387946775.db2.gz VZSHMLDXRAMFKG-AWEZNQCLSA-N 2 1 248.370 1.997 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423170393 387956425 /nfs/dbraw/zinc/95/64/25/387956425.db2.gz XYFMNDQJRZYKBO-OLZOCXBDSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCO2)C1 ZINC000245452908 387949549 /nfs/dbraw/zinc/94/95/49/387949549.db2.gz QUMBPHPURSNYRJ-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000245452908 387949553 /nfs/dbraw/zinc/94/95/53/387949553.db2.gz QUMBPHPURSNYRJ-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000245452908 387949557 /nfs/dbraw/zinc/94/95/57/387949557.db2.gz QUMBPHPURSNYRJ-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423166617 387949662 /nfs/dbraw/zinc/94/96/62/387949662.db2.gz RHANTASHMJKTEI-WISYIIOYSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)nc1 ZINC000423170779 387956488 /nfs/dbraw/zinc/95/64/88/387956488.db2.gz YVIHWCYGYIBRNF-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1c[nH+]ccc1N ZINC000423175230 387962842 /nfs/dbraw/zinc/96/28/42/387962842.db2.gz DMDNEYUKYBMEOL-TUAOUCFPSA-N 2 1 249.358 1.696 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(C)c1 ZINC000423178163 387963550 /nfs/dbraw/zinc/96/35/50/387963550.db2.gz KMJIIEVBUUOMOO-NSHDSACASA-N 2 1 236.363 1.732 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CCO ZINC000245581645 387964210 /nfs/dbraw/zinc/96/42/10/387964210.db2.gz CPJFBVIWRCCDNV-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(C)c1 ZINC000423178162 387965026 /nfs/dbraw/zinc/96/50/26/387965026.db2.gz KMJIIEVBUUOMOO-LLVKDONJSA-N 2 1 236.363 1.732 20 0 BDADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[NH3+])C1 ZINC000423194310 387980359 /nfs/dbraw/zinc/98/03/59/387980359.db2.gz XRLUVSGFGJSDQD-NEPJUHHUSA-N 2 1 242.363 1.437 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000423195047 387980465 /nfs/dbraw/zinc/98/04/65/387980465.db2.gz XHXBHGXIIPLBJQ-NDBYEHHHSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@H](Cc1coc2ccccc12)[NH2+]CC[NH3+] ZINC000423186980 387972415 /nfs/dbraw/zinc/97/24/15/387972415.db2.gz OSPAAUHXEDPYGK-SNVBAGLBSA-N 2 1 218.300 1.912 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423188207 387974044 /nfs/dbraw/zinc/97/40/44/387974044.db2.gz PUYMFCPGAIATFT-YPMHNXCESA-N 2 1 219.332 1.656 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423192933 387978422 /nfs/dbraw/zinc/97/84/22/387978422.db2.gz QIDIIXXBZGRLRC-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000086435902 135084175 /nfs/dbraw/zinc/08/41/75/135084175.db2.gz CYAZNSCOQXMAGU-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccncc1F ZINC000423211035 387996012 /nfs/dbraw/zinc/99/60/12/387996012.db2.gz KOUSBMYMOHGEDL-MNOVXSKESA-N 2 1 237.322 1.871 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccncn2)C1 ZINC000453090654 387982494 /nfs/dbraw/zinc/98/24/94/387982494.db2.gz KQIVCKKOCCUEGX-QWHCGFSZSA-N 2 1 248.374 1.859 20 0 BDADMP CC[C@H]([NH2+]CCC[NH2+]C)c1cnn(C)c1 ZINC000423198660 387983145 /nfs/dbraw/zinc/98/31/45/387983145.db2.gz HBZMOWHZAUJJSG-NSHDSACASA-N 2 1 210.325 1.070 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCCC[C@H]1C ZINC000453103385 387983394 /nfs/dbraw/zinc/98/33/94/387983394.db2.gz RPWNVNHGAFWADY-SYQHCUMBSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCOC1 ZINC000245805208 387984029 /nfs/dbraw/zinc/98/40/29/387984029.db2.gz CAXILOIFHYMSSX-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@H+]1C1CC1 ZINC000424371336 387996982 /nfs/dbraw/zinc/99/69/82/387996982.db2.gz FUPJNEBRRXIZKG-ZMJPVWNMSA-N 2 1 237.391 1.471 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CN1C1CC1 ZINC000424371336 387996985 /nfs/dbraw/zinc/99/69/85/387996985.db2.gz FUPJNEBRRXIZKG-ZMJPVWNMSA-N 2 1 237.391 1.471 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCO2)C1 ZINC000246115984 388010963 /nfs/dbraw/zinc/01/09/63/388010963.db2.gz CMBPLRFARNKODR-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000246115984 388010968 /nfs/dbraw/zinc/01/09/68/388010968.db2.gz CMBPLRFARNKODR-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000246115984 388010973 /nfs/dbraw/zinc/01/09/73/388010973.db2.gz CMBPLRFARNKODR-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424375411 387999275 /nfs/dbraw/zinc/99/92/75/387999275.db2.gz NBTJCQZACCZERZ-IGQOVBAYSA-N 3 1 237.391 1.473 20 0 BDADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423219206 388000716 /nfs/dbraw/zinc/00/07/16/388000716.db2.gz VXBJFTLAGKJSHR-JHJVBQTASA-N 2 1 248.374 1.398 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423220288 388001258 /nfs/dbraw/zinc/00/12/58/388001258.db2.gz XWTRNTLBWXVTME-SYQHCUMBSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220288 388001261 /nfs/dbraw/zinc/00/12/61/388001261.db2.gz XWTRNTLBWXVTME-SYQHCUMBSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220288 388001265 /nfs/dbraw/zinc/00/12/65/388001265.db2.gz XWTRNTLBWXVTME-SYQHCUMBSA-N 3 1 239.407 1.304 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246015476 388003182 /nfs/dbraw/zinc/00/31/82/388003182.db2.gz SSCZUFZLJGZCTH-AVGNSLFASA-N 2 1 226.364 1.364 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH2+]C)C12CCC2 ZINC000423222781 388003304 /nfs/dbraw/zinc/00/33/04/388003304.db2.gz COPXCUBJVMUNNQ-WDEREUQCSA-N 2 1 212.337 1.143 20 0 BDADMP CCC1(CC)[C@@H]([NH2+]CC[NH2+]C)C[C@@H]1OC ZINC000423223310 388003505 /nfs/dbraw/zinc/00/35/05/388003505.db2.gz FWXMULDNNRKNIX-QWRGUYRKSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423225284 388008414 /nfs/dbraw/zinc/00/84/14/388008414.db2.gz MBHVUGDSAHSBBK-WUHRBBMRSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423225284 388008416 /nfs/dbraw/zinc/00/84/16/388008416.db2.gz MBHVUGDSAHSBBK-WUHRBBMRSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423225284 388008420 /nfs/dbraw/zinc/00/84/20/388008420.db2.gz MBHVUGDSAHSBBK-WUHRBBMRSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423214252 387996685 /nfs/dbraw/zinc/99/66/85/387996685.db2.gz ONFHYTGPMPNHSH-DYEKYZERSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423214252 387996688 /nfs/dbraw/zinc/99/66/88/387996688.db2.gz ONFHYTGPMPNHSH-DYEKYZERSA-N 2 1 237.391 1.058 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423240489 388024729 /nfs/dbraw/zinc/02/47/29/388024729.db2.gz HEAJNBVCWRKBCF-KCPJHIHWSA-N 2 1 248.370 1.996 20 0 BDADMP C[NH2+]CCN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423228078 388013476 /nfs/dbraw/zinc/01/34/76/388013476.db2.gz YCCAZDZJTJOUQN-ZFWWWQNUSA-N 2 1 247.386 1.458 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423233610 388018083 /nfs/dbraw/zinc/01/80/83/388018083.db2.gz DVEWCZDDYQWVNT-KWCYVHTRSA-N 2 1 233.359 1.226 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423252542 388033922 /nfs/dbraw/zinc/03/39/22/388033922.db2.gz XXZVTPHTGOFCNE-UPJWGTAASA-N 2 1 238.375 1.533 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000156794499 388035710 /nfs/dbraw/zinc/03/57/10/388035710.db2.gz UCSIHKNYUFXXSP-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000156794499 388035712 /nfs/dbraw/zinc/03/57/12/388035712.db2.gz UCSIHKNYUFXXSP-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000156794499 388035717 /nfs/dbraw/zinc/03/57/17/388035717.db2.gz UCSIHKNYUFXXSP-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000446757229 388037045 /nfs/dbraw/zinc/03/70/45/388037045.db2.gz SAJONSBGLYTPEU-HIFRSBDPSA-N 2 1 248.370 1.446 20 0 BDADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000446757229 388037052 /nfs/dbraw/zinc/03/70/52/388037052.db2.gz SAJONSBGLYTPEU-HIFRSBDPSA-N 2 1 248.370 1.446 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000423255112 388037591 /nfs/dbraw/zinc/03/75/91/388037591.db2.gz AUOQVPMLUWKPOI-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCN1C ZINC000423255112 388037596 /nfs/dbraw/zinc/03/75/96/388037596.db2.gz AUOQVPMLUWKPOI-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000423264684 388041938 /nfs/dbraw/zinc/04/19/38/388041938.db2.gz QATKILUAOQTYHO-NNYUYHANSA-N 2 1 214.353 1.515 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1nccn1C ZINC000423265966 388043730 /nfs/dbraw/zinc/04/37/30/388043730.db2.gz BMGXMZLSBAWFCC-TUAOUCFPSA-N 2 1 236.363 1.588 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C[NH3+])CC(C)C)C1 ZINC000423265356 388044092 /nfs/dbraw/zinc/04/40/92/388044092.db2.gz QVGYGPYEOYFBRB-RWMBFGLXSA-N 2 1 227.396 1.290 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423273875 388052980 /nfs/dbraw/zinc/05/29/80/388052980.db2.gz LBFMCVAVJZCHRW-AAVRWANBSA-N 2 1 239.407 1.432 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000423275215 388056169 /nfs/dbraw/zinc/05/61/69/388056169.db2.gz MXMAMTUOJHTFFA-IHRRRGAJSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccncc1 ZINC000423275880 388056393 /nfs/dbraw/zinc/05/63/93/388056393.db2.gz MFRKBJUDICDRFZ-JOYOIKCWSA-N 2 1 205.305 1.470 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C12CCC2 ZINC000423284860 388068291 /nfs/dbraw/zinc/06/82/91/388068291.db2.gz XHCBBAMTJKXYSW-RWMBFGLXSA-N 2 1 238.375 1.661 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398162 388070706 /nfs/dbraw/zinc/07/07/06/388070706.db2.gz KGMQPTSGPNHIGX-TZMCWYRMSA-N 3 1 239.407 1.401 20 0 BDADMP CCOC[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404793 388075134 /nfs/dbraw/zinc/07/51/34/388075134.db2.gz PXNOBIJNQSNGHM-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000261527745 135152354 /nfs/dbraw/zinc/15/23/54/135152354.db2.gz GRVPJQXRTHZVOF-NXEZZACHSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CCSC1 ZINC000261527745 135152356 /nfs/dbraw/zinc/15/23/56/135152356.db2.gz GRVPJQXRTHZVOF-NXEZZACHSA-N 2 1 200.351 1.163 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCOC1 ZINC000423294819 388077102 /nfs/dbraw/zinc/07/71/02/388077102.db2.gz CUFXVCYILLBDBC-GRYCIOLGSA-N 2 1 214.353 1.519 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000423295257 388077313 /nfs/dbraw/zinc/07/73/13/388077313.db2.gz DTWUEGVPMHIEPB-QJPTWQEYSA-N 2 1 214.353 1.661 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000423295256 388077465 /nfs/dbraw/zinc/07/74/65/388077465.db2.gz DTWUEGVPMHIEPB-IJLUTSLNSA-N 2 1 214.353 1.661 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000423297090 388078033 /nfs/dbraw/zinc/07/80/33/388078033.db2.gz IRGLACPRLHCFAN-IRCOFANPSA-N 2 1 214.353 1.659 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000423296911 388078408 /nfs/dbraw/zinc/07/84/08/388078408.db2.gz HZGCTDYYNIRYTM-GHMZBOCLSA-N 2 1 241.379 1.151 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000423298223 388079713 /nfs/dbraw/zinc/07/97/13/388079713.db2.gz NRVCNWSCHPCZNY-QJPTWQEYSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c(N(C)C)n1 ZINC000085431495 388087357 /nfs/dbraw/zinc/08/73/57/388087357.db2.gz VUTRRZZYSHLYBI-SNVBAGLBSA-N 2 1 237.351 1.295 20 0 BDADMP CC[NH+](CC)CCNc1cc[nH+]c(N(C)C)n1 ZINC000085435755 388088236 /nfs/dbraw/zinc/08/82/36/388088236.db2.gz HZMPCUVEZMKCID-UHFFFAOYSA-N 2 1 237.351 1.296 20 0 BDADMP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCCN1 ZINC000333286309 388101077 /nfs/dbraw/zinc/10/10/77/388101077.db2.gz NKBQXYZOLQSCIT-IKWCTNDRSA-N 2 1 225.380 1.377 20 0 BDADMP Cc1noc(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637469 388105844 /nfs/dbraw/zinc/10/58/44/388105844.db2.gz PAQSRSCOAQZAMJ-UHFFFAOYSA-N 2 1 225.336 1.708 20 0 BDADMP Cc1noc(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086637469 388105846 /nfs/dbraw/zinc/10/58/46/388105846.db2.gz PAQSRSCOAQZAMJ-UHFFFAOYSA-N 2 1 225.336 1.708 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000086884390 388110460 /nfs/dbraw/zinc/11/04/60/388110460.db2.gz XLRYLCVRXOYQHH-GWCFXTLKSA-N 2 1 220.316 1.561 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000086884390 388110462 /nfs/dbraw/zinc/11/04/62/388110462.db2.gz XLRYLCVRXOYQHH-GWCFXTLKSA-N 2 1 220.316 1.561 20 0 BDADMP CC(C)=CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103422 388143338 /nfs/dbraw/zinc/14/33/38/388143338.db2.gz FQFVQQSGYWASBE-UHFFFAOYSA-N 2 1 238.375 1.749 20 0 BDADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC[NH3+] ZINC000449109970 388143542 /nfs/dbraw/zinc/14/35/42/388143542.db2.gz ZWIPGUJDKYSAQB-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP COCC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166567922 388254925 /nfs/dbraw/zinc/25/49/25/388254925.db2.gz SRCBFKQHQDVCIW-LBPRGKRZSA-N 2 1 216.369 1.731 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000488750517 388194339 /nfs/dbraw/zinc/19/43/39/388194339.db2.gz UMCUWDLYZCPCGF-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CCCO)[C@@H](C)C1 ZINC000449409474 388197465 /nfs/dbraw/zinc/19/74/65/388197465.db2.gz UBTXZCLWNWAYPQ-IHRRRGAJSA-N 2 1 242.407 1.715 20 0 BDADMP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000313105050 256537795 /nfs/dbraw/zinc/53/77/95/256537795.db2.gz IOPWUGBKQNLNMB-ZIAGYGMSSA-N 2 1 240.391 1.752 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCCn2ccnc2)C[C@@H]1C ZINC000451565758 388282087 /nfs/dbraw/zinc/28/20/87/388282087.db2.gz LVHVXQWKNIEOMM-QWHCGFSZSA-N 2 1 237.347 1.630 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccn1 ZINC000276205586 388346866 /nfs/dbraw/zinc/34/68/66/388346866.db2.gz AAWTUFZTSOBDRB-LLVKDONJSA-N 2 1 230.315 1.708 20 0 BDADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000235151117 388366456 /nfs/dbraw/zinc/36/64/56/388366456.db2.gz PIBVJKMFCMZMPQ-NEPJUHHUSA-N 2 1 206.333 1.863 20 0 BDADMP C[C@H]([NH2+]CCOC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400761795 388374734 /nfs/dbraw/zinc/37/47/34/388374734.db2.gz YINQMNCXZCTSHS-WCQYABFASA-N 2 1 226.364 1.676 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](C)(O)C1 ZINC000228219649 388379804 /nfs/dbraw/zinc/37/98/04/388379804.db2.gz TVGZXACRYXXBJO-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000228219649 388379805 /nfs/dbraw/zinc/37/98/05/388379805.db2.gz TVGZXACRYXXBJO-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@](C)(O)C1 ZINC000228219649 388379807 /nfs/dbraw/zinc/37/98/07/388379807.db2.gz TVGZXACRYXXBJO-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CCC[C@@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000300769816 388392558 /nfs/dbraw/zinc/39/25/58/388392558.db2.gz AQBQPEMTSZUWEN-LLVKDONJSA-N 2 1 202.342 1.330 20 0 BDADMP COC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308571043 388443324 /nfs/dbraw/zinc/44/33/24/388443324.db2.gz KBDVTLIGUJGCCB-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP C[C@H](O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308635943 388446119 /nfs/dbraw/zinc/44/61/19/388446119.db2.gz POSWOCGBTSVUCX-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](CC2(F)CC2)CC1 ZINC000525995892 388452382 /nfs/dbraw/zinc/45/23/82/388452382.db2.gz JRDZKMTZXAUTEQ-LLVKDONJSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2(F)CC2)CC1 ZINC000525995892 388452384 /nfs/dbraw/zinc/45/23/84/388452384.db2.gz JRDZKMTZXAUTEQ-LLVKDONJSA-N 2 1 214.328 1.905 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000336687949 388463303 /nfs/dbraw/zinc/46/33/03/388463303.db2.gz GUVNUVXKWGHGIR-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000336687949 388463305 /nfs/dbraw/zinc/46/33/05/388463305.db2.gz GUVNUVXKWGHGIR-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1CCC1 ZINC000336687949 388463309 /nfs/dbraw/zinc/46/33/09/388463309.db2.gz GUVNUVXKWGHGIR-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1CCC1 ZINC000336687949 388463312 /nfs/dbraw/zinc/46/33/12/388463312.db2.gz GUVNUVXKWGHGIR-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336712666 388466016 /nfs/dbraw/zinc/46/60/16/388466016.db2.gz SSWZVZXVPQVRDE-GRYCIOLGSA-N 2 1 246.420 1.173 20 0 BDADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336712666 388466018 /nfs/dbraw/zinc/46/60/18/388466018.db2.gz SSWZVZXVPQVRDE-GRYCIOLGSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000336722197 388469062 /nfs/dbraw/zinc/46/90/62/388469062.db2.gz STUSRHCUKPBNMU-RDBSUJKOSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000336722197 388469065 /nfs/dbraw/zinc/46/90/65/388469065.db2.gz STUSRHCUKPBNMU-RDBSUJKOSA-N 3 1 239.407 1.720 20 0 BDADMP CN(C[C@@H](O)C[N@@H+](C)CC1CCCC1)C1CC1 ZINC000336723561 388469322 /nfs/dbraw/zinc/46/93/22/388469322.db2.gz UDHADHVTLWILAK-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)CC1CCCC1)C1CC1 ZINC000336723561 388469323 /nfs/dbraw/zinc/46/93/23/388469323.db2.gz UDHADHVTLWILAK-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)CC1CCCC1)C1CC1 ZINC000336723561 388469324 /nfs/dbraw/zinc/46/93/24/388469324.db2.gz UDHADHVTLWILAK-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1CCCC1 ZINC000336723561 388469325 /nfs/dbraw/zinc/46/93/25/388469325.db2.gz UDHADHVTLWILAK-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1CCCC1 ZINC000336723561 388469327 /nfs/dbraw/zinc/46/93/27/388469327.db2.gz UDHADHVTLWILAK-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573058835 388414938 /nfs/dbraw/zinc/41/49/38/388414938.db2.gz FIERLNXUEIDLDO-RFQIPJPRSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393578946 388434188 /nfs/dbraw/zinc/43/41/88/388434188.db2.gz DJADZCGQBBLDGM-NEPJUHHUSA-N 2 1 242.407 1.713 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccccc1C ZINC000517159746 388539634 /nfs/dbraw/zinc/53/96/34/388539634.db2.gz XFWFPQMEIGYFNS-AWEZNQCLSA-N 2 1 236.359 1.397 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccccc1C ZINC000517159746 388539635 /nfs/dbraw/zinc/53/96/35/388539635.db2.gz XFWFPQMEIGYFNS-AWEZNQCLSA-N 2 1 236.359 1.397 20 0 BDADMP C[C@H](F)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340467028 388490653 /nfs/dbraw/zinc/49/06/53/388490653.db2.gz NWNVTRXLRWMESY-SDDRHHMPSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000397800445 388500448 /nfs/dbraw/zinc/50/04/48/388500448.db2.gz WCJJSXUQVIGSTF-REWJHTLYSA-N 2 1 242.407 1.713 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261556894 135197273 /nfs/dbraw/zinc/19/72/73/135197273.db2.gz WNPNUMKJGCIHBG-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+](C)C)CC1 ZINC000397860843 388507694 /nfs/dbraw/zinc/50/76/94/388507694.db2.gz YEABWGIHOOOONL-NEPJUHHUSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860843 388507698 /nfs/dbraw/zinc/50/76/98/388507698.db2.gz YEABWGIHOOOONL-NEPJUHHUSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860843 388507700 /nfs/dbraw/zinc/50/77/00/388507700.db2.gz YEABWGIHOOOONL-NEPJUHHUSA-N 2 1 225.380 1.010 20 0 BDADMP CCn1ccc(CNCc2c[nH+]c(C)n2C)n1 ZINC000516787248 388517971 /nfs/dbraw/zinc/51/79/71/388517971.db2.gz SZSGHEAHCOXPCG-UHFFFAOYSA-N 2 1 233.319 1.235 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000347682136 388524321 /nfs/dbraw/zinc/52/43/21/388524321.db2.gz PCSMCXMNDAHVGM-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOC(C)C ZINC000136302758 388529197 /nfs/dbraw/zinc/52/91/97/388529197.db2.gz OEVQNJUZFYOIMT-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOC(C)C ZINC000136302758 388529200 /nfs/dbraw/zinc/52/92/00/388529200.db2.gz OEVQNJUZFYOIMT-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841054 388604526 /nfs/dbraw/zinc/60/45/26/388604526.db2.gz XNCBJRYFVSRNOG-NTZNESFSSA-N 2 1 219.332 1.669 20 0 BDADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(C)(F)F ZINC000357716214 388552746 /nfs/dbraw/zinc/55/27/46/388552746.db2.gz MKJGTFHOJUJLRE-ZJUUUORDSA-N 2 1 236.306 1.388 20 0 BDADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359287283 388556369 /nfs/dbraw/zinc/55/63/69/388556369.db2.gz OAPNRKWKLKWDAX-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359287283 388556372 /nfs/dbraw/zinc/55/63/72/388556372.db2.gz OAPNRKWKLKWDAX-ZIAGYGMSSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359287283 388556374 /nfs/dbraw/zinc/55/63/74/388556374.db2.gz OAPNRKWKLKWDAX-ZIAGYGMSSA-N 3 1 241.423 1.648 20 0 BDADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000361011334 388559147 /nfs/dbraw/zinc/55/91/47/388559147.db2.gz SGRQKKLHZZYGFD-KWCYVHTRSA-N 2 1 240.391 1.731 20 0 BDADMP COc1cc(C)[nH+]c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000214127314 388566629 /nfs/dbraw/zinc/56/66/29/388566629.db2.gz WGWYCMHFPVFNLX-TXEJJXNPSA-N 2 1 249.358 1.581 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000549037514 388570984 /nfs/dbraw/zinc/57/09/84/388570984.db2.gz IEHZRQOJBIEOOU-RYUDHWBXSA-N 2 1 237.347 1.331 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC)C1 ZINC000081516459 388579693 /nfs/dbraw/zinc/57/96/93/388579693.db2.gz IVEGWQXLZHABMS-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOCC)C1 ZINC000081516459 388579697 /nfs/dbraw/zinc/57/96/97/388579697.db2.gz IVEGWQXLZHABMS-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC)C1 ZINC000081516459 388579699 /nfs/dbraw/zinc/57/96/99/388579699.db2.gz IVEGWQXLZHABMS-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCO2)CC[N@H+]1C ZINC000224547498 388666165 /nfs/dbraw/zinc/66/61/65/388666165.db2.gz OFNBQZFSERYFTR-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)OC)[C@@H](C)C1 ZINC000248416165 388678266 /nfs/dbraw/zinc/67/82/66/388678266.db2.gz IOFRTIOQOZPPFE-AVGNSLFASA-N 2 1 228.380 1.683 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)OC)[C@@H](C)C1 ZINC000248416165 388678268 /nfs/dbraw/zinc/67/82/68/388678268.db2.gz IOFRTIOQOZPPFE-AVGNSLFASA-N 2 1 228.380 1.683 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)OC)[C@@H](C)C1 ZINC000248416165 388678271 /nfs/dbraw/zinc/67/82/71/388678271.db2.gz IOFRTIOQOZPPFE-AVGNSLFASA-N 2 1 228.380 1.683 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)[C@H](C)C1 ZINC000248443737 388680588 /nfs/dbraw/zinc/68/05/88/388680588.db2.gz BFEYKUZOITUWDF-LSSIXWDNSA-N 2 1 246.420 1.073 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)[C@H](C)C1 ZINC000248443737 388680592 /nfs/dbraw/zinc/68/05/92/388680592.db2.gz BFEYKUZOITUWDF-LSSIXWDNSA-N 2 1 246.420 1.073 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]CC1(O)CCC1 ZINC000521611063 388619500 /nfs/dbraw/zinc/61/95/00/388619500.db2.gz CMDHBWLLKZXDAB-UHFFFAOYSA-N 2 1 237.347 1.476 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000530177841 388621435 /nfs/dbraw/zinc/62/14/35/388621435.db2.gz IMDZYZDLDBLVCJ-MCIONIFRSA-N 2 1 249.402 1.487 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179196 388621477 /nfs/dbraw/zinc/62/14/77/388621477.db2.gz QNKINISSJKIPOB-GHMZBOCLSA-N 2 1 212.337 1.286 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000530177840 388621888 /nfs/dbraw/zinc/62/18/88/388621888.db2.gz IMDZYZDLDBLVCJ-BFHYXJOUSA-N 2 1 249.402 1.487 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)C[N@H+]1C1CC1 ZINC000530179944 388622705 /nfs/dbraw/zinc/62/27/05/388622705.db2.gz ZAEJYUAEVZIECD-BZPMIXESSA-N 2 1 249.402 1.486 20 0 BDADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000248560714 388684237 /nfs/dbraw/zinc/68/42/37/388684237.db2.gz JITDOZHYEACNBP-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125962255 388684377 /nfs/dbraw/zinc/68/43/77/388684377.db2.gz NIFRVSQNTRBHMY-LBPRGKRZSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125962255 388684382 /nfs/dbraw/zinc/68/43/82/388684382.db2.gz NIFRVSQNTRBHMY-LBPRGKRZSA-N 2 1 248.374 1.302 20 0 BDADMP C[C@H]([NH2+]CC12CC(C1)CO2)c1c[nH+]ccc1N ZINC000530217389 388630406 /nfs/dbraw/zinc/63/04/06/388630406.db2.gz BJFBYPPYJUVLCA-JBLZRFIASA-N 2 1 233.315 1.324 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000530218880 388631638 /nfs/dbraw/zinc/63/16/38/388631638.db2.gz HWLWRZWWMYDSAM-JTQLQIEISA-N 2 1 205.305 1.088 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000189378289 388632375 /nfs/dbraw/zinc/63/23/75/388632375.db2.gz WVBDELDAFGVLOG-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCCC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000530221491 388633234 /nfs/dbraw/zinc/63/32/34/388633234.db2.gz DZZNYPQZGWMRPF-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]([NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000530224090 388634117 /nfs/dbraw/zinc/63/41/17/388634117.db2.gz KXXSHZQFDTYXCK-WWBIDZNWSA-N 2 1 226.364 1.528 20 0 BDADMP C[C@H]1CC(F)(F)CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000530231178 388637173 /nfs/dbraw/zinc/63/71/73/388637173.db2.gz FMJHNMNNBNPYFH-NSHDSACASA-N 2 1 247.333 1.011 20 0 BDADMP CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000246479291 388637480 /nfs/dbraw/zinc/63/74/80/388637480.db2.gz HNOYXUSXEGZNQP-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246479291 388637482 /nfs/dbraw/zinc/63/74/82/388637482.db2.gz HNOYXUSXEGZNQP-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246479291 388637484 /nfs/dbraw/zinc/63/74/84/388637484.db2.gz HNOYXUSXEGZNQP-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[C@@H](CN[C@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000530245086 388639244 /nfs/dbraw/zinc/63/92/44/388639244.db2.gz SSRBUQXHDGVEHA-AGIUHOORSA-N 2 1 237.391 1.249 20 0 BDADMP COCC[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422639230 388684944 /nfs/dbraw/zinc/68/49/44/388684944.db2.gz SKOZNADRHNDLJN-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128025793 388736594 /nfs/dbraw/zinc/73/65/94/388736594.db2.gz LQGUNSNPUSZUJB-AAVRWANBSA-N 2 1 238.375 1.506 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227534563 388752651 /nfs/dbraw/zinc/75/26/51/388752651.db2.gz VITXGOQHFNYKKG-WQAKAFBOSA-N 2 1 220.316 1.756 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248639521 388688098 /nfs/dbraw/zinc/68/80/98/388688098.db2.gz MVWZRMHOXCJXBK-LZLIAMDJSA-N 2 1 238.375 1.530 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000223400189 388691836 /nfs/dbraw/zinc/69/18/36/388691836.db2.gz USUKVTKOCDWPBC-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000552338804 388694276 /nfs/dbraw/zinc/69/42/76/388694276.db2.gz PYBUBPNGHAQMNQ-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000552338804 388694279 /nfs/dbraw/zinc/69/42/79/388694279.db2.gz PYBUBPNGHAQMNQ-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000552338639 388694517 /nfs/dbraw/zinc/69/45/17/388694517.db2.gz KPAVGTXIXRQNCZ-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000552338639 388694519 /nfs/dbraw/zinc/69/45/19/388694519.db2.gz KPAVGTXIXRQNCZ-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000249088827 388708113 /nfs/dbraw/zinc/70/81/13/388708113.db2.gz NPSLIAGNODBOFK-RGDJUOJXSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000249163160 388711547 /nfs/dbraw/zinc/71/15/47/388711547.db2.gz ZPGBZRCKPWKFRT-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1O ZINC000249297551 388716457 /nfs/dbraw/zinc/71/64/57/388716457.db2.gz BNUSZNCXPSGADQ-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@@H]([NH3+])CC(C)C)n1 ZINC000564209933 388716925 /nfs/dbraw/zinc/71/69/25/388716925.db2.gz NMBGWRZDXSJWNG-IUCAKERBSA-N 2 1 226.324 1.266 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249452211 388721835 /nfs/dbraw/zinc/72/18/35/388721835.db2.gz CPTQOTDBTDMPPK-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CCSCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000229514197 388792466 /nfs/dbraw/zinc/79/24/66/388792466.db2.gz MLGUESVIURUJTG-QWRGUYRKSA-N 2 1 216.394 1.812 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000251980460 388758537 /nfs/dbraw/zinc/75/85/37/388758537.db2.gz VJBQEEIQVLEXDQ-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000251980460 388758538 /nfs/dbraw/zinc/75/85/38/388758538.db2.gz VJBQEEIQVLEXDQ-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000251980460 388758543 /nfs/dbraw/zinc/75/85/43/388758543.db2.gz VJBQEEIQVLEXDQ-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000252143671 388762192 /nfs/dbraw/zinc/76/21/92/388762192.db2.gz NOVIOXLJPNQALI-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cscn1 ZINC000252710788 388773235 /nfs/dbraw/zinc/77/32/35/388773235.db2.gz HRVZGNMDGYFDEX-ZYHUDNBSSA-N 2 1 239.388 1.615 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000228738394 388773504 /nfs/dbraw/zinc/77/35/04/388773504.db2.gz HDMZDYKCWPQSPH-OLZOCXBDSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccnc1 ZINC000252715190 388774590 /nfs/dbraw/zinc/77/45/90/388774590.db2.gz UWNTXNVPEVMXSD-TZMCWYRMSA-N 2 1 233.359 1.554 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732389 388778700 /nfs/dbraw/zinc/77/87/00/388778700.db2.gz UWRPUIFLBSUQPP-XVIXHAIJSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732387 388778801 /nfs/dbraw/zinc/77/88/01/388778801.db2.gz UWRPUIFLBSUQPP-ITGHMWBKSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H]1C[C@H](NCC[NH+]2CCCC2)CC[N@H+]1C ZINC000129731591 388868581 /nfs/dbraw/zinc/86/85/81/388868581.db2.gz NWNMNMZTWHLIBD-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300006944 388845658 /nfs/dbraw/zinc/84/56/58/388845658.db2.gz WZTRCIHZRCNMBQ-QWHCGFSZSA-N 2 1 238.375 1.759 20 0 BDADMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000564527341 388877176 /nfs/dbraw/zinc/87/71/76/388877176.db2.gz HFTYLDCIYYCXQI-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP COC[C@@H](C)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000153368761 388966761 /nfs/dbraw/zinc/96/67/61/388966761.db2.gz SJXPAVRMRLKWCF-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP COC[C@@H](C)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000153368761 388966764 /nfs/dbraw/zinc/96/67/64/388966764.db2.gz SJXPAVRMRLKWCF-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccn1C ZINC000265649944 388992854 /nfs/dbraw/zinc/99/28/54/388992854.db2.gz MYHJSLKSLAXSHC-UHFFFAOYSA-N 2 1 218.304 1.320 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@H]1CCCCO1 ZINC000257667421 533364372 /nfs/dbraw/zinc/36/43/72/533364372.db2.gz HPVYMUNJSOCJIJ-KGLIPLIRSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@H]1CCCCO1 ZINC000257667421 533364375 /nfs/dbraw/zinc/36/43/75/533364375.db2.gz HPVYMUNJSOCJIJ-KGLIPLIRSA-N 2 1 238.375 1.774 20 0 BDADMP C([NH2+][C@@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000232466161 533370107 /nfs/dbraw/zinc/37/01/07/533370107.db2.gz LKSKMYVAVWXHIZ-VHSXEESVSA-N 2 1 200.351 1.224 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257641398 533376396 /nfs/dbraw/zinc/37/63/96/533376396.db2.gz AZZBCXLCSLVXBO-NEPJUHHUSA-N 2 1 226.389 1.425 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000300056925 533414983 /nfs/dbraw/zinc/41/49/83/533414983.db2.gz WMSUZVHOTOKHIO-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP [NH3+]CC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000049833942 132358465 /nfs/dbraw/zinc/35/84/65/132358465.db2.gz PPASUIARGQOWRL-UHFFFAOYSA-N 2 1 245.370 1.548 20 0 BDADMP C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251866428 133647825 /nfs/dbraw/zinc/64/78/25/133647825.db2.gz SYFLEGHKHAFYIJ-TZMCWYRMSA-N 2 1 234.343 1.735 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000336125038 134092695 /nfs/dbraw/zinc/09/26/95/134092695.db2.gz UMEJSMXQIZZPRN-AWEZNQCLSA-N 2 1 249.333 1.748 20 0 BDADMP CC[C@H](F)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336125080 134092729 /nfs/dbraw/zinc/09/27/29/134092729.db2.gz ZPOLEWSTYKDLMH-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1n1ccnc1 ZINC000336197865 134127311 /nfs/dbraw/zinc/12/73/11/134127311.db2.gz HXNWQDKSXZGDNV-NEPJUHHUSA-N 2 1 236.363 1.503 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1n1ccnc1 ZINC000336197865 134127312 /nfs/dbraw/zinc/12/73/12/134127312.db2.gz HXNWQDKSXZGDNV-NEPJUHHUSA-N 2 1 236.363 1.503 20 0 BDADMP CS[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000169072385 134249058 /nfs/dbraw/zinc/24/90/58/134249058.db2.gz GRCBIVJOYXCVDQ-YEJSDXFRSA-N 2 1 228.405 1.953 20 0 BDADMP CS[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000169072484 134249096 /nfs/dbraw/zinc/24/90/96/134249096.db2.gz GRCBIVJOYXCVDQ-WAAKLRNESA-N 2 1 228.405 1.953 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(O)CC1 ZINC000217841558 134250558 /nfs/dbraw/zinc/25/05/58/134250558.db2.gz RYKJHXLOKOXSGE-PNESKVBLSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(O)CC1 ZINC000217841558 134250559 /nfs/dbraw/zinc/25/05/59/134250559.db2.gz RYKJHXLOKOXSGE-PNESKVBLSA-N 2 1 228.380 1.610 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000217722584 134250682 /nfs/dbraw/zinc/25/06/82/134250682.db2.gz YMMNEKXDEXDPPE-CHWSQXEVSA-N 2 1 227.396 1.435 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000220372964 134306274 /nfs/dbraw/zinc/30/62/74/134306274.db2.gz FFQPPOQSNNTSNE-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1c(F)cccc1F ZINC000220507096 134309190 /nfs/dbraw/zinc/30/91/90/134309190.db2.gz DBGZWUBTBWRQFO-MRVPVSSYSA-N 2 1 214.259 1.792 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000178689226 134312940 /nfs/dbraw/zinc/31/29/40/134312940.db2.gz SGJDPYCWRILHBX-NQBHXWOUSA-N 2 1 237.347 1.595 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178706482 134313338 /nfs/dbraw/zinc/31/33/38/134313338.db2.gz MLFXQTREPFAZHA-NEPJUHHUSA-N 2 1 239.363 1.842 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000221755457 134326241 /nfs/dbraw/zinc/32/62/41/134326241.db2.gz BCQBUUXAKQUQPI-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222934068 134336088 /nfs/dbraw/zinc/33/60/88/134336088.db2.gz SXSJSETXRGJOQE-NWDGAFQWSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC1CC[NH+](CC)CC1 ZINC000223096122 134336286 /nfs/dbraw/zinc/33/62/86/134336286.db2.gz PHISBFDRXCTTIZ-ZDUSSCGKSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223483986 134340143 /nfs/dbraw/zinc/34/01/43/134340143.db2.gz LPMGKFTVJOXSES-QNWHQSFQSA-N 2 1 228.380 1.466 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000223820221 134342974 /nfs/dbraw/zinc/34/29/74/134342974.db2.gz BQRPEGPHLAZCMZ-UONOGXRCSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)CC[N@H+]1C ZINC000224451441 134347489 /nfs/dbraw/zinc/34/74/89/134347489.db2.gz VCDSWLSTSXNZJF-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP CCn1nccc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000227974589 134395684 /nfs/dbraw/zinc/39/56/84/134395684.db2.gz DMTFGLBTWHWSFW-RYUDHWBXSA-N 2 1 236.363 1.475 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000071012021 135017342 /nfs/dbraw/zinc/01/73/42/135017342.db2.gz CAXILOIFHYMSSX-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)O1 ZINC000248863063 135023445 /nfs/dbraw/zinc/02/34/45/135023445.db2.gz BMKDGMXEKBTNEG-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)O1 ZINC000248899800 135025988 /nfs/dbraw/zinc/02/59/88/135025988.db2.gz KQOHLIPCNKAQQI-REWJHTLYSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)O1 ZINC000248899800 135025989 /nfs/dbraw/zinc/02/59/89/135025989.db2.gz KQOHLIPCNKAQQI-REWJHTLYSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)O1 ZINC000248899800 135025990 /nfs/dbraw/zinc/02/59/90/135025990.db2.gz KQOHLIPCNKAQQI-REWJHTLYSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)O1 ZINC000248899800 135025991 /nfs/dbraw/zinc/02/59/91/135025991.db2.gz KQOHLIPCNKAQQI-REWJHTLYSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249384318 135037649 /nfs/dbraw/zinc/03/76/49/135037649.db2.gz BHGUNCJDHYMXCJ-OBJOEFQTSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249384318 135037650 /nfs/dbraw/zinc/03/76/50/135037650.db2.gz BHGUNCJDHYMXCJ-OBJOEFQTSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249384318 135037652 /nfs/dbraw/zinc/03/76/52/135037652.db2.gz BHGUNCJDHYMXCJ-OBJOEFQTSA-N 2 1 238.375 1.316 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000250358136 135052819 /nfs/dbraw/zinc/05/28/19/135052819.db2.gz SPUHRECXDWQPIQ-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250898945 135060645 /nfs/dbraw/zinc/06/06/45/135060645.db2.gz YMGCCXFCOQIXQJ-KGLIPLIRSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250898945 135060646 /nfs/dbraw/zinc/06/06/46/135060646.db2.gz YMGCCXFCOQIXQJ-KGLIPLIRSA-N 2 1 248.374 1.445 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251914471 135080914 /nfs/dbraw/zinc/08/09/14/135080914.db2.gz XLLLBAVUSWFOFR-GRYCIOLGSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000086435779 135084256 /nfs/dbraw/zinc/08/42/56/135084256.db2.gz PNXIIQRVSKHWQL-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cccs1 ZINC000086435391 135084267 /nfs/dbraw/zinc/08/42/67/135084267.db2.gz LKFZRBOMWNHYKZ-UHFFFAOYSA-N 2 1 214.334 1.155 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C[C@@H](C)C1 ZINC000252217172 135088231 /nfs/dbraw/zinc/08/82/31/135088231.db2.gz ZMHOVDABDZXLLB-MROQNXINSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000252430360 135089204 /nfs/dbraw/zinc/08/92/04/135089204.db2.gz LKQWPZJICNIJLN-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1C ZINC000252450664 135089953 /nfs/dbraw/zinc/08/99/53/135089953.db2.gz QSBZWMVNZONPPW-VOAKCMCISA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)(C)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539369 135092810 /nfs/dbraw/zinc/09/28/10/135092810.db2.gz BMAJCVXQBPTIEB-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539369 135092812 /nfs/dbraw/zinc/09/28/12/135092812.db2.gz BMAJCVXQBPTIEB-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000252689866 135097078 /nfs/dbraw/zinc/09/70/78/135097078.db2.gz SLDVMTLEWAVPDO-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP CCSCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000252686180 135097098 /nfs/dbraw/zinc/09/70/98/135097098.db2.gz JGFHZTVZSZUCKB-GHMZBOCLSA-N 2 1 216.394 1.799 20 0 BDADMP CCSCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000252686180 135097100 /nfs/dbraw/zinc/09/71/00/135097100.db2.gz JGFHZTVZSZUCKB-GHMZBOCLSA-N 2 1 216.394 1.799 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252691600 135097302 /nfs/dbraw/zinc/09/73/02/135097302.db2.gz YMSOLVLADSQKEY-CYDGBPFRSA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886966 135100304 /nfs/dbraw/zinc/10/03/04/135100304.db2.gz BMIQDNYLZYSYMO-MNOVXSKESA-N 2 1 200.326 1.081 20 0 BDADMP C[C@H]1CN(C)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000257772796 135100610 /nfs/dbraw/zinc/10/06/10/135100610.db2.gz DOALNLRSWXMMOR-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000252712382 135100689 /nfs/dbraw/zinc/10/06/89/135100689.db2.gz MHTDNIYVGZITHB-MQYQWHSLSA-N 3 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252712382 135100694 /nfs/dbraw/zinc/10/06/94/135100694.db2.gz MHTDNIYVGZITHB-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000252745820 135106235 /nfs/dbraw/zinc/10/62/35/135106235.db2.gz PPHOWPQNJJQMOL-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H](O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000252745820 135106238 /nfs/dbraw/zinc/10/62/38/135106238.db2.gz PPHOWPQNJJQMOL-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H](O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000252745820 135106240 /nfs/dbraw/zinc/10/62/40/135106240.db2.gz PPHOWPQNJJQMOL-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CO[C@@H]1CC[N@H+](CCCC(C)C)[C@H](C[NH3+])C1 ZINC000252767380 135108411 /nfs/dbraw/zinc/10/84/11/135108411.db2.gz IBYFJYDFWCOTIU-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCCC(C)C)[C@H](C[NH3+])C1 ZINC000252767380 135108413 /nfs/dbraw/zinc/10/84/13/135108413.db2.gz IBYFJYDFWCOTIU-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2ccccc21)[C@H](C)[NH3+] ZINC000261535821 135109056 /nfs/dbraw/zinc/10/90/56/135109056.db2.gz PHZHYRZJNBMEFY-CWSCBRNRSA-N 2 1 204.317 1.999 20 0 BDADMP CCCCC[N@H+]1CC[C@H](OC)C[C@H]1CN ZINC000252779518 135109361 /nfs/dbraw/zinc/10/93/61/135109361.db2.gz RYYNQYVAAYFDFT-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252779518 135109362 /nfs/dbraw/zinc/10/93/62/135109362.db2.gz RYYNQYVAAYFDFT-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252779518 135109364 /nfs/dbraw/zinc/10/93/64/135109364.db2.gz RYYNQYVAAYFDFT-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP CO[C@H](C)C[N@@H+](C[C@]1(C)CC[NH2+]C1)C(C)C ZINC000261975261 135113137 /nfs/dbraw/zinc/11/31/37/135113137.db2.gz IQXHNQIBHBGQPG-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(C)(C)O ZINC000253165759 135123282 /nfs/dbraw/zinc/12/32/82/135123282.db2.gz ZLOVZKQVJMYLKU-WDEREUQCSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000253178617 135123358 /nfs/dbraw/zinc/12/33/58/135123358.db2.gz CAXDQOZPOIJOLC-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCOCC1 ZINC000253196203 135123661 /nfs/dbraw/zinc/12/36/61/135123661.db2.gz SOCVWICKNNQHHR-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCOCC1 ZINC000253196204 135124124 /nfs/dbraw/zinc/12/41/24/135124124.db2.gz SOCVWICKNNQHHR-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nccs2)CC1 ZINC000087393587 135127544 /nfs/dbraw/zinc/12/75/44/135127544.db2.gz RMHGSWGYGOMORE-SECBINFHSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000258206893 135132288 /nfs/dbraw/zinc/13/22/88/135132288.db2.gz XGXQDCCWUPBLGU-LLVKDONJSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1cc(F)ccc1F ZINC000258705676 135133519 /nfs/dbraw/zinc/13/35/19/135133519.db2.gz HIDXPQONHOYBDM-MRVPVSSYSA-N 2 1 214.259 1.649 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000258884648 135135559 /nfs/dbraw/zinc/13/55/59/135135559.db2.gz GQZJEGYPKRHNMB-CHWSQXEVSA-N 2 1 204.317 1.964 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257673719 135138384 /nfs/dbraw/zinc/13/83/84/135138384.db2.gz JEOCGPBGTNUWTB-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257687926 135139341 /nfs/dbraw/zinc/13/93/41/135139341.db2.gz MSBLFQLIKORPKU-ZDUSSCGKSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257687926 135139342 /nfs/dbraw/zinc/13/93/42/135139342.db2.gz MSBLFQLIKORPKU-ZDUSSCGKSA-N 2 1 234.347 1.294 20 0 BDADMP c1cncc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257700199 135139911 /nfs/dbraw/zinc/13/99/11/135139911.db2.gz PXFPNPCJQDOMBX-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP c1cncc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257700199 135139913 /nfs/dbraw/zinc/13/99/13/135139913.db2.gz PXFPNPCJQDOMBX-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000257741886 135140690 /nfs/dbraw/zinc/14/06/90/135140690.db2.gz SPUSAPXCHFHDSC-CYBMUJFWSA-N 2 1 232.331 1.283 20 0 BDADMP C[NH2+]CCCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000087472573 135143564 /nfs/dbraw/zinc/14/35/64/135143564.db2.gz ACXQLODOWBIGGA-CYBMUJFWSA-N 3 1 227.396 1.402 20 0 BDADMP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000265994972 135146506 /nfs/dbraw/zinc/14/65/06/135146506.db2.gz OIRKWXOLXYPLSZ-CYBMUJFWSA-N 2 1 248.374 1.871 20 0 BDADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000265994972 135146507 /nfs/dbraw/zinc/14/65/07/135146507.db2.gz OIRKWXOLXYPLSZ-CYBMUJFWSA-N 2 1 248.374 1.871 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261528441 135153510 /nfs/dbraw/zinc/15/35/10/135153510.db2.gz LRYWBNLZRJVLCS-WDEREUQCSA-N 2 1 214.378 1.281 20 0 BDADMP Cc1ncccc1C[NH+]1CCC([NH3+])CC1 ZINC000261530855 135159234 /nfs/dbraw/zinc/15/92/34/135159234.db2.gz DHUVDJQEZVGBTQ-UHFFFAOYSA-N 2 1 205.305 1.313 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]12 ZINC000261531457 135159903 /nfs/dbraw/zinc/15/99/03/135159903.db2.gz GOSNKUFOSOYWGI-QJPTWQEYSA-N 2 1 222.357 1.917 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000261532442 135162271 /nfs/dbraw/zinc/16/22/71/135162271.db2.gz BMEWYWSUQLJXTR-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCSC3)C[C@@H]12 ZINC000261532768 135163703 /nfs/dbraw/zinc/16/37/03/135163703.db2.gz KDBJUIBLSMESAE-DDHJBXDOSA-N 2 1 226.389 1.409 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000261533688 135165892 /nfs/dbraw/zinc/16/58/92/135165892.db2.gz KAQNKDPROJECQL-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]12 ZINC000261533790 135166033 /nfs/dbraw/zinc/16/60/33/135166033.db2.gz LESRRZMLUOCCKF-FRRDWIJNSA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000261533793 135166215 /nfs/dbraw/zinc/16/62/15/135166215.db2.gz LESRRZMLUOCCKF-YNEHKIRRSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@H](C)C2)CC[NH2+]1 ZINC000261535374 135170041 /nfs/dbraw/zinc/17/00/41/135170041.db2.gz OIQXNOOHCWVUKV-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000261535779 135170555 /nfs/dbraw/zinc/17/05/55/135170555.db2.gz PDHGBUKNOZAVBG-UTUOFQBUSA-N 2 1 228.405 1.656 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCC(F)(F)F)C1CC1 ZINC000261536273 135171443 /nfs/dbraw/zinc/17/14/43/135171443.db2.gz RASWTNPCPSHYGL-MRVPVSSYSA-N 2 1 210.243 1.656 20 0 BDADMP Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261537050 135173228 /nfs/dbraw/zinc/17/32/28/135173228.db2.gz URKCBNFTZWTUJP-DGCLKSJQSA-N 2 1 204.317 1.774 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261537050 135173230 /nfs/dbraw/zinc/17/32/30/135173230.db2.gz URKCBNFTZWTUJP-DGCLKSJQSA-N 2 1 204.317 1.774 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261537854 135174438 /nfs/dbraw/zinc/17/44/38/135174438.db2.gz WLOKXUNHFYPQAR-TUAOUCFPSA-N 2 1 212.337 1.081 20 0 BDADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](C)[NH3+])C1 ZINC000261538539 135176356 /nfs/dbraw/zinc/17/63/56/135176356.db2.gz YMJFVABIZOGHOM-GARJFASQSA-N 2 1 216.394 1.940 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000261538993 135177037 /nfs/dbraw/zinc/17/70/37/135177037.db2.gz BHQKFWYAGSLIER-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261539267 135177848 /nfs/dbraw/zinc/17/78/48/135177848.db2.gz BZNSXUIEKIOBLO-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@H]1C ZINC000261539751 135178492 /nfs/dbraw/zinc/17/84/92/135178492.db2.gz BLCNNEUYHAWRPF-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCCOC2)CC[NH2+]1 ZINC000261540298 135179219 /nfs/dbraw/zinc/17/92/19/135179219.db2.gz FSOIHWPROGGADR-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP CC1(C)CCC(C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000261553896 135194061 /nfs/dbraw/zinc/19/40/61/135194061.db2.gz OLLFVHXHKORPNB-ZDUSSCGKSA-N 2 1 240.391 1.862 20 0 BDADMP CC1(C)CCC(C[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000261553896 135194062 /nfs/dbraw/zinc/19/40/62/135194062.db2.gz OLLFVHXHKORPNB-ZDUSSCGKSA-N 2 1 240.391 1.862 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557793 135198464 /nfs/dbraw/zinc/19/84/64/135198464.db2.gz SBRUGBYNWDLMOC-KGLIPLIRSA-N 2 1 231.343 1.165 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]12 ZINC000261558080 135198469 /nfs/dbraw/zinc/19/84/69/135198469.db2.gz SGCLQFMCTRFHNB-VHRBIJSZSA-N 2 1 234.318 1.995 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]12 ZINC000261558079 135198503 /nfs/dbraw/zinc/19/85/03/135198503.db2.gz SGCLQFMCTRFHNB-SCDSUCTJSA-N 2 1 234.318 1.995 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000261558204 135198632 /nfs/dbraw/zinc/19/86/32/135198632.db2.gz CZMBIXKLBILUPF-AEGPPILISA-N 2 1 246.354 1.735 20 0 BDADMP Cc1cnn(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000261559620 135200391 /nfs/dbraw/zinc/20/03/91/135200391.db2.gz DUWTXJAHMNLJGO-PBWFPOADSA-N 2 1 248.374 1.406 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000261560069 135201507 /nfs/dbraw/zinc/20/15/07/135201507.db2.gz ZMCNCLMPIYBPAL-YPMHNXCESA-N 2 1 208.349 1.718 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000261561194 135201693 /nfs/dbraw/zinc/20/16/93/135201693.db2.gz ALNNCEDSSFGSJB-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261561581 135202951 /nfs/dbraw/zinc/20/29/51/135202951.db2.gz FZCDKXOMDNCTNG-ZIAGYGMSSA-N 2 1 246.354 1.737 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261561581 135202952 /nfs/dbraw/zinc/20/29/52/135202952.db2.gz FZCDKXOMDNCTNG-ZIAGYGMSSA-N 2 1 246.354 1.737 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261563416 135205446 /nfs/dbraw/zinc/20/54/46/135205446.db2.gz XCBNLMHDXKKJKK-CYBMUJFWSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261563416 135205448 /nfs/dbraw/zinc/20/54/48/135205448.db2.gz XCBNLMHDXKKJKK-CYBMUJFWSA-N 2 1 236.363 1.635 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564410 135206113 /nfs/dbraw/zinc/20/61/13/135206113.db2.gz CMVCVCWRLGHVSC-DGCLKSJQSA-N 2 1 219.332 1.813 20 0 BDADMP CCSCCC[NH2+]C1CC[NH+](C)CC1 ZINC000163820695 135208221 /nfs/dbraw/zinc/20/82/21/135208221.db2.gz PKBFUXNBJOBFHA-UHFFFAOYSA-N 2 1 216.394 1.813 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000164153399 135214613 /nfs/dbraw/zinc/21/46/13/135214613.db2.gz WJFIIPBTTLAHOK-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000261573431 135215585 /nfs/dbraw/zinc/21/55/85/135215585.db2.gz IURWYZBTDYPZJI-VIFPVBQESA-N 2 1 225.361 1.486 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000261573431 135215587 /nfs/dbraw/zinc/21/55/87/135215587.db2.gz IURWYZBTDYPZJI-VIFPVBQESA-N 2 1 225.361 1.486 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2CN(c3cc[nH+]cc3Cl)C[C@H]12 ZINC000261576624 135217842 /nfs/dbraw/zinc/21/78/42/135217842.db2.gz KLKFQWBHNHAJNN-WCABBAIRSA-N 2 1 237.734 1.909 20 0 BDADMP Cc1cccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000261578206 135219365 /nfs/dbraw/zinc/21/93/65/135219365.db2.gz LOHOTBJSMVRYQX-VXGBXAGGSA-N 2 1 217.316 1.436 20 0 BDADMP CCc1nc(N2CCC([C@H](C)[NH3+])CC2)cc(C)[nH+]1 ZINC000261581050 135221753 /nfs/dbraw/zinc/22/17/53/135221753.db2.gz QIVKRFKUXPBOQR-NSHDSACASA-N 2 1 248.374 1.911 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261595782 135236246 /nfs/dbraw/zinc/23/62/46/135236246.db2.gz YLVXPRZFJUJMTH-VXGBXAGGSA-N 2 1 212.337 1.084 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000261596882 135237240 /nfs/dbraw/zinc/23/72/40/135237240.db2.gz ZAWUGJVUASMIOZ-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000261599739 135237405 /nfs/dbraw/zinc/23/74/05/135237405.db2.gz ZZSPWHLPWWFHHG-JTQLQIEISA-N 2 1 209.293 1.235 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261546385 135238263 /nfs/dbraw/zinc/23/82/63/135238263.db2.gz KZVWCQQQRNJSFT-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1[N@@H+](CC(C)(C)[NH3+])CCC12CCOCC2 ZINC000261652208 135242304 /nfs/dbraw/zinc/24/23/04/135242304.db2.gz BCEADHIQDUXBDC-NSHDSACASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H]1CCC[NH2+]C1 ZINC000261654268 135242578 /nfs/dbraw/zinc/24/25/78/135242578.db2.gz BGTBJKWNSHSIJM-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H]1CSCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084386037 135244646 /nfs/dbraw/zinc/24/46/46/135244646.db2.gz JJIOIRDRJFWAGN-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261683610 135245784 /nfs/dbraw/zinc/24/57/84/135245784.db2.gz INTWQAPYQPDGSV-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261749220 135250020 /nfs/dbraw/zinc/25/00/20/135250020.db2.gz CBSKYKYCVNPEET-KGLIPLIRSA-N 2 1 240.391 1.471 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261780266 135252803 /nfs/dbraw/zinc/25/28/03/135252803.db2.gz FIGVGHYNORPXBU-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261796103 135253765 /nfs/dbraw/zinc/25/37/65/135253765.db2.gz GPHJXQAIDFGZEA-NEPJUHHUSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261796103 135253767 /nfs/dbraw/zinc/25/37/67/135253767.db2.gz GPHJXQAIDFGZEA-NEPJUHHUSA-N 2 1 236.363 1.633 20 0 BDADMP CC[C@@]1(C)COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261813327 135255605 /nfs/dbraw/zinc/25/56/05/135255605.db2.gz HUQFQBFHJUOKQN-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000261833773 135255855 /nfs/dbraw/zinc/25/58/55/135255855.db2.gz JIIBOUWMLFHXBU-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000261897894 135260975 /nfs/dbraw/zinc/26/09/75/135260975.db2.gz WDMBXGIHBGSXFA-MJBXVCDLSA-N 2 1 240.391 1.862 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCOCC2(CCC2)C1 ZINC000261923024 135263879 /nfs/dbraw/zinc/26/38/79/135263879.db2.gz KSTGIVQOWBEKKU-ZDUSSCGKSA-N 2 1 238.375 1.489 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261948453 135265495 /nfs/dbraw/zinc/26/54/95/135265495.db2.gz FQPVHTSTAKKGPG-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000261986680 135269697 /nfs/dbraw/zinc/26/96/97/135269697.db2.gz RXWFKULFGDYVOU-DGCLKSJQSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000261986680 135269698 /nfs/dbraw/zinc/26/96/98/135269698.db2.gz RXWFKULFGDYVOU-DGCLKSJQSA-N 2 1 224.348 1.097 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH2+]C)C2)CCO1 ZINC000262034382 135275028 /nfs/dbraw/zinc/27/50/28/135275028.db2.gz OJONPJUBCVNPHR-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH2+]C)C2)CCO1 ZINC000262034382 135275029 /nfs/dbraw/zinc/27/50/29/135275029.db2.gz OJONPJUBCVNPHR-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044697 135275829 /nfs/dbraw/zinc/27/58/29/135275829.db2.gz PPJNTWBATUJNHI-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262144618 135281298 /nfs/dbraw/zinc/28/12/98/135281298.db2.gz ZKTXBLNUGNXVJE-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@H]1CCCC[C@H]1O ZINC000262288860 135290873 /nfs/dbraw/zinc/29/08/73/135290873.db2.gz VUCZFVXYVPGQQJ-ZIAGYGMSSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000079342598 135307014 /nfs/dbraw/zinc/30/70/14/135307014.db2.gz VCDZMYNMZPVNAI-CQSZACIVSA-N 2 1 239.407 1.404 20 0 BDADMP Cc1cnc(CN2CC[N@H+]3CCCC[C@@H]3C2)n1C ZINC000342773459 135327476 /nfs/dbraw/zinc/32/74/76/135327476.db2.gz CPRHPUMOQSIVKR-CYBMUJFWSA-N 2 1 248.374 1.399 20 0 BDADMP C[C@H]1CCN(CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263021747 135327645 /nfs/dbraw/zinc/32/76/45/135327645.db2.gz QZBXIGSCFOQZBC-AWEZNQCLSA-N 2 1 247.386 1.542 20 0 BDADMP Cc1nocc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334303809 135347823 /nfs/dbraw/zinc/34/78/23/135347823.db2.gz BVOLHCAVYAXYNH-CQSZACIVSA-N 2 1 249.358 1.901 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)nc1 ZINC000334840947 135405520 /nfs/dbraw/zinc/40/55/20/135405520.db2.gz DKRJCFPEHPKRRR-CYBMUJFWSA-N 2 1 233.359 1.868 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cn[nH]c2)C1 ZINC000347733283 136004314 /nfs/dbraw/zinc/00/43/14/136004314.db2.gz BTERZNBFKOYIJQ-ZDUSSCGKSA-N 2 1 236.363 1.226 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000347733283 136004315 /nfs/dbraw/zinc/00/43/15/136004315.db2.gz BTERZNBFKOYIJQ-ZDUSSCGKSA-N 2 1 236.363 1.226 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000347733283 136004316 /nfs/dbraw/zinc/00/43/16/136004316.db2.gz BTERZNBFKOYIJQ-ZDUSSCGKSA-N 2 1 236.363 1.226 20 0 BDADMP C(C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000348102677 136036696 /nfs/dbraw/zinc/03/66/96/136036696.db2.gz BFUXBZUKXWVOOC-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000348102677 136036697 /nfs/dbraw/zinc/03/66/97/136036697.db2.gz BFUXBZUKXWVOOC-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000348114043 136037424 /nfs/dbraw/zinc/03/74/24/136037424.db2.gz FOPORPATINKVLS-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)CC[N@@H+]1C ZINC000348152227 136039865 /nfs/dbraw/zinc/03/98/65/136039865.db2.gz BHJHPNKJPYHSFC-ZYUZMQFOSA-N 2 1 218.291 1.712 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)CC[N@H+]1C ZINC000348152227 136039866 /nfs/dbraw/zinc/03/98/66/136039866.db2.gz BHJHPNKJPYHSFC-ZYUZMQFOSA-N 2 1 218.291 1.712 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000335344413 136065559 /nfs/dbraw/zinc/06/55/59/136065559.db2.gz HWXMWCFUSPZYLT-STQMWFEESA-N 2 1 249.358 1.636 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H](F)C2)CC1 ZINC000348332801 136075395 /nfs/dbraw/zinc/07/53/95/136075395.db2.gz XPFSWJDZIAQQJI-AAEUAGOBSA-N 2 1 244.354 1.577 20 0 BDADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000335562276 136106678 /nfs/dbraw/zinc/10/66/78/136106678.db2.gz BKQHDQJJTXBGKT-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP CC1(C)C[C@@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000335565148 136107318 /nfs/dbraw/zinc/10/73/18/136107318.db2.gz PZOKRZAZZMTZLJ-GFCCVEGCSA-N 2 1 204.317 1.957 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)C[C@H]1CCC[NH+](C)C1 ZINC000649539489 397933544 /nfs/dbraw/zinc/93/35/44/397933544.db2.gz XDJDHCACNSTFRO-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)C[C@H]1CCC[N@H+](C)C1 ZINC000649539489 397933545 /nfs/dbraw/zinc/93/35/45/397933545.db2.gz XDJDHCACNSTFRO-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)C[C@H]1CCC[N@@H+](C)C1 ZINC000649539489 397933548 /nfs/dbraw/zinc/93/35/48/397933548.db2.gz XDJDHCACNSTFRO-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1cncc(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)n1 ZINC000649530914 397923049 /nfs/dbraw/zinc/92/30/49/397923049.db2.gz PEKQXAZEQKQNEQ-CYBMUJFWSA-N 2 1 248.374 1.211 20 0 BDADMP Cc1cncc(CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)n1 ZINC000649530914 397923051 /nfs/dbraw/zinc/92/30/51/397923051.db2.gz PEKQXAZEQKQNEQ-CYBMUJFWSA-N 2 1 248.374 1.211 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414829652 398050331 /nfs/dbraw/zinc/05/03/31/398050331.db2.gz MYGJRIHPKATSQT-RKDXNWHRSA-N 2 1 224.270 1.917 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)CC[C@@H]1C ZINC000414690018 398019878 /nfs/dbraw/zinc/01/98/78/398019878.db2.gz HFLVHVMSLWPQMG-STQMWFEESA-N 2 1 227.396 1.386 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000414705537 398021818 /nfs/dbraw/zinc/02/18/18/398021818.db2.gz KMGFRADJNYXWSU-LLVKDONJSA-N 2 1 249.362 1.210 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000414763669 398028202 /nfs/dbraw/zinc/02/82/02/398028202.db2.gz NFLYSROMDVKDLP-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[C@@H](C)[C@@H](CO)[NH2+]CCc1c[nH+]cn1C ZINC000649691640 398038385 /nfs/dbraw/zinc/03/83/85/398038385.db2.gz LXHGSNZOWPBORW-DGCLKSJQSA-N 2 1 239.363 1.349 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C1CC1 ZINC000414797581 398041283 /nfs/dbraw/zinc/04/12/83/398041283.db2.gz BGBFCIHAURNORW-LSDHHAIUSA-N 2 1 230.355 1.871 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414853937 398060995 /nfs/dbraw/zinc/06/09/95/398060995.db2.gz LNCOVSVLUGYGAB-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP COC(=O)C1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000414863217 398068549 /nfs/dbraw/zinc/06/85/49/398068549.db2.gz ICGJICFAHTYCLG-MCIGGMRASA-N 2 1 240.347 1.060 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638358992 398085158 /nfs/dbraw/zinc/08/51/58/398085158.db2.gz DQYBXCGKOJDTRO-BTTYYORXSA-N 2 1 240.391 1.590 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000108369539 167094872 /nfs/dbraw/zinc/09/48/72/167094872.db2.gz GPDIBIIAELAADQ-ZDUSSCGKSA-N 2 1 226.364 1.628 20 0 BDADMP CCOc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000258788801 322877663 /nfs/dbraw/zinc/87/76/63/322877663.db2.gz JBSAMUGMWLHILN-UHFFFAOYSA-N 2 1 222.332 1.912 20 0 BDADMP C[N@H+](CCOCc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000393634266 487576616 /nfs/dbraw/zinc/57/66/16/487576616.db2.gz PAIRDHQZRIXZBL-OAHLLOKOSA-N 2 1 248.370 1.872 20 0 BDADMP C[N@@H+](CCOCc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000393634266 487576620 /nfs/dbraw/zinc/57/66/20/487576620.db2.gz PAIRDHQZRIXZBL-OAHLLOKOSA-N 2 1 248.370 1.872 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000336679603 167214774 /nfs/dbraw/zinc/21/47/74/167214774.db2.gz ALMQLIAUOJWWLK-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000370696377 167232345 /nfs/dbraw/zinc/23/23/45/167232345.db2.gz GDDSQZYAOCKWGY-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532291111 487601733 /nfs/dbraw/zinc/60/17/33/487601733.db2.gz HYHXUJUGUIIRMQ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000662265843 409559315 /nfs/dbraw/zinc/55/93/15/409559315.db2.gz JEVUVYFEKZQZTR-FPMFFAJLSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662264210 409562215 /nfs/dbraw/zinc/56/22/15/409562215.db2.gz CGIUPBSCYXOKQU-WCFLWFBJSA-N 2 1 226.364 1.471 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000662266289 409564254 /nfs/dbraw/zinc/56/42/54/409564254.db2.gz LDUWIIKHBYLBGK-VHSXEESVSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000662266289 409564260 /nfs/dbraw/zinc/56/42/60/409564260.db2.gz LDUWIIKHBYLBGK-VHSXEESVSA-N 2 1 223.320 1.406 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662275052 409586344 /nfs/dbraw/zinc/58/63/44/409586344.db2.gz QNZFIJFOTYWLMK-PDWCTOEPSA-N 2 1 220.360 1.716 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662275052 409586354 /nfs/dbraw/zinc/58/63/54/409586354.db2.gz QNZFIJFOTYWLMK-PDWCTOEPSA-N 2 1 220.360 1.716 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000662283213 409609986 /nfs/dbraw/zinc/60/99/86/409609986.db2.gz SGSADGXKGGFWBU-JQWIXIFHSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000662283213 409609994 /nfs/dbraw/zinc/60/99/94/409609994.db2.gz SGSADGXKGGFWBU-JQWIXIFHSA-N 2 1 234.347 1.202 20 0 BDADMP COCCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404313865 409665280 /nfs/dbraw/zinc/66/52/80/409665280.db2.gz MYRDUWOPQHKILM-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)c(C)c1 ZINC000259105700 409732993 /nfs/dbraw/zinc/73/29/93/409732993.db2.gz SKQXFTAEVZZJMV-CQSZACIVSA-N 2 1 218.344 1.797 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)CC(C)(C)[NH3+] ZINC000653175821 410153189 /nfs/dbraw/zinc/15/31/89/410153189.db2.gz BXNRCFHWRZKIJR-UHFFFAOYSA-N 2 1 243.395 1.208 20 0 BDADMP C[NH2+]CCCC(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176244 410151850 /nfs/dbraw/zinc/15/18/50/410151850.db2.gz NWFJBOCDPHQADN-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000663512597 410282621 /nfs/dbraw/zinc/28/26/21/410282621.db2.gz GMLFTXGYZYEPMN-BXUZGUMPSA-N 2 1 248.370 1.750 20 0 BDADMP CCn1nccc1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000663512660 410282903 /nfs/dbraw/zinc/28/29/03/410282903.db2.gz HGDPZFVYGDDGTR-NEPJUHHUSA-N 2 1 236.363 1.523 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000663514185 410284811 /nfs/dbraw/zinc/28/48/11/410284811.db2.gz OAXHQBIYHGFMRZ-MNOVXSKESA-N 2 1 224.323 1.954 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1cccc2c1CCC2 ZINC000650703934 410336774 /nfs/dbraw/zinc/33/67/74/410336774.db2.gz YZKAGAMXDXDBQC-SNVBAGLBSA-N 2 1 204.317 1.612 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709135 410340555 /nfs/dbraw/zinc/34/05/55/410340555.db2.gz FLWVQPYDUYLHGI-JSGCOSHPSA-N 2 1 248.374 1.587 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711540 410342428 /nfs/dbraw/zinc/34/24/28/410342428.db2.gz WPTIVBZEYCZTLC-GWCFXTLKSA-N 2 1 236.363 1.667 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000650740728 410375654 /nfs/dbraw/zinc/37/56/54/410375654.db2.gz PIVPCNOKKQGYGI-QWHCGFSZSA-N 2 1 229.412 1.680 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000650740728 410375659 /nfs/dbraw/zinc/37/56/59/410375659.db2.gz PIVPCNOKKQGYGI-QWHCGFSZSA-N 3 1 229.412 1.680 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000650740728 410375666 /nfs/dbraw/zinc/37/56/66/410375666.db2.gz PIVPCNOKKQGYGI-QWHCGFSZSA-N 3 1 229.412 1.680 20 0 BDADMP C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000650747915 410388458 /nfs/dbraw/zinc/38/84/58/410388458.db2.gz KIKZPYNQMRIBLS-FPMFFAJLSA-N 2 1 245.370 1.753 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748654 410390322 /nfs/dbraw/zinc/39/03/22/410390322.db2.gz YWJXASOXWJKIPA-VXGBXAGGSA-N 2 1 225.380 1.365 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000650761071 410410703 /nfs/dbraw/zinc/41/07/03/410410703.db2.gz RKUGHEWZUGOGDH-NQBHXWOUSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1c[nH+]ccc1N ZINC000650762148 410411697 /nfs/dbraw/zinc/41/16/97/410411697.db2.gz VDKCDUVYQXSNQQ-LLVKDONJSA-N 3 1 248.374 1.534 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000650763925 410414653 /nfs/dbraw/zinc/41/46/53/410414653.db2.gz MHEFBVQRRGAGIU-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CCN1C ZINC000650763925 410414657 /nfs/dbraw/zinc/41/46/57/410414657.db2.gz MHEFBVQRRGAGIU-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP CCc1nn(C)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000393829797 410761336 /nfs/dbraw/zinc/76/13/36/410761336.db2.gz IWCSLMAZHALRFR-LLVKDONJSA-N 2 1 238.379 1.270 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000653299342 410817012 /nfs/dbraw/zinc/81/70/12/410817012.db2.gz PSAKQDUBHNWCGT-GXTWGEPZSA-N 3 1 239.407 1.578 20 0 BDADMP CC(C)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000309012057 167003282 /nfs/dbraw/zinc/00/32/82/167003282.db2.gz SDPCBHBDJCYBDO-UHFFFAOYSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309238501 410903948 /nfs/dbraw/zinc/90/39/48/410903948.db2.gz KCKDXCXPEGOUFB-RWMBFGLXSA-N 2 1 230.396 1.712 20 0 BDADMP CC(C)[NH2+]CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000370485242 167104953 /nfs/dbraw/zinc/10/49/53/167104953.db2.gz SEMHURAKSLSDHR-CQSZACIVSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[NH2+]CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000370485242 167104955 /nfs/dbraw/zinc/10/49/55/167104955.db2.gz SEMHURAKSLSDHR-CQSZACIVSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370612629 167135209 /nfs/dbraw/zinc/13/52/09/167135209.db2.gz OQSJHGQNQCFOSL-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370612629 167135213 /nfs/dbraw/zinc/13/52/13/167135213.db2.gz OQSJHGQNQCFOSL-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250581194 167231105 /nfs/dbraw/zinc/23/11/05/167231105.db2.gz IVRGDSBDPPXOST-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)CCF)[C@H](C)C1 ZINC000652019087 410999120 /nfs/dbraw/zinc/99/91/20/410999120.db2.gz JIYCNMMVPJLCQP-WOPDTQHZSA-N 2 1 232.343 1.027 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000042425530 411002853 /nfs/dbraw/zinc/00/28/53/411002853.db2.gz SYSLCEUOTBKLJA-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000300055902 411077796 /nfs/dbraw/zinc/07/77/96/411077796.db2.gz JQVNWBDCISTCRL-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOCC(C)C)CC[C@H]1[NH3+] ZINC000300053652 411079144 /nfs/dbraw/zinc/07/91/44/411079144.db2.gz ROPXGORIUXYBQE-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP CCOC[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865901 411147653 /nfs/dbraw/zinc/14/76/53/411147653.db2.gz MDYOJSTXHDWDIT-ZDUSSCGKSA-N 2 1 230.396 1.979 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000651864884 411147657 /nfs/dbraw/zinc/14/76/57/411147657.db2.gz HXGVCHPODZXCEK-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000651865663 411147763 /nfs/dbraw/zinc/14/77/63/411147763.db2.gz CPUZCZURDWCWFF-KBPBESRZSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000651865663 411147764 /nfs/dbraw/zinc/14/77/64/411147764.db2.gz CPUZCZURDWCWFF-KBPBESRZSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000651865663 411147765 /nfs/dbraw/zinc/14/77/65/411147765.db2.gz CPUZCZURDWCWFF-KBPBESRZSA-N 2 1 241.423 1.504 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000400676889 411158515 /nfs/dbraw/zinc/15/85/15/411158515.db2.gz UZWHSHJJBILITO-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H](O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000655949219 411161351 /nfs/dbraw/zinc/16/13/51/411161351.db2.gz PZOHAHFESDXGAV-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000659879980 411177957 /nfs/dbraw/zinc/17/79/57/411177957.db2.gz YYGSTXKBUTXNJP-ZIAGYGMSSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000659879980 411177958 /nfs/dbraw/zinc/17/79/58/411177958.db2.gz YYGSTXKBUTXNJP-ZIAGYGMSSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000659879980 411177959 /nfs/dbraw/zinc/17/79/59/411177959.db2.gz YYGSTXKBUTXNJP-ZIAGYGMSSA-N 2 1 240.391 1.562 20 0 BDADMP COCC(C)(C)C[NH2+]CCC[NH+]1CCC1 ZINC000655754310 411184618 /nfs/dbraw/zinc/18/46/18/411184618.db2.gz SQPCMTQWISTJKY-UHFFFAOYSA-N 2 1 214.353 1.344 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CCCn2nccc21)C[NH+](C)C ZINC000658019514 411200072 /nfs/dbraw/zinc/20/00/72/411200072.db2.gz ZVLAZZJXOBJTET-RYUDHWBXSA-N 2 1 236.363 1.505 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000656197371 411203380 /nfs/dbraw/zinc/20/33/80/411203380.db2.gz DCVJUIJKSHSDFB-HZSPNIEDSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)C1 ZINC000656197371 411203383 /nfs/dbraw/zinc/20/33/83/411203383.db2.gz DCVJUIJKSHSDFB-HZSPNIEDSA-N 2 1 237.391 1.330 20 0 BDADMP COCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000656200022 411203883 /nfs/dbraw/zinc/20/38/83/411203883.db2.gz IJVHIZPPNUNCQR-WDEREUQCSA-N 2 1 212.337 1.001 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCCC[C@@H]2N)C1 ZINC000656200119 411204829 /nfs/dbraw/zinc/20/48/29/411204829.db2.gz JXZVQXYICSEAFW-CRWXNKLISA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]1 ZINC000656200084 411205151 /nfs/dbraw/zinc/20/51/51/411205151.db2.gz JKLPVUFXWGAHQJ-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000656201238 411206667 /nfs/dbraw/zinc/20/66/67/411206667.db2.gz LADZTLZSCVLJQC-YRGRVCCFSA-N 2 1 233.359 1.743 20 0 BDADMP CCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345369 411208912 /nfs/dbraw/zinc/20/89/12/411208912.db2.gz ANFGABXSIWROHG-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP CN(C)c1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000656212066 411210771 /nfs/dbraw/zinc/21/07/71/411210771.db2.gz YESWIFIWLOHUQS-PHIMTYICSA-N 2 1 249.362 1.295 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360823 411216470 /nfs/dbraw/zinc/21/64/70/411216470.db2.gz RDHTZALBVBFYBW-UPJWGTAASA-N 2 1 226.364 1.757 20 0 BDADMP COC1CC(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000658057869 411223508 /nfs/dbraw/zinc/22/35/08/411223508.db2.gz ZWUKZFRBWAVCSY-AHPWVWPOSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+](CC[NH3+])CCCOCC(F)(F)F ZINC000049312107 411230663 /nfs/dbraw/zinc/23/06/63/411230663.db2.gz RCALQOHZXAVCTL-UHFFFAOYSA-N 2 1 228.258 1.236 20 0 BDADMP CC[N@@H+](CC[NH3+])CCCOCC(F)(F)F ZINC000049312107 411230664 /nfs/dbraw/zinc/23/06/64/411230664.db2.gz RCALQOHZXAVCTL-UHFFFAOYSA-N 2 1 228.258 1.236 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000310345244 411235105 /nfs/dbraw/zinc/23/51/05/411235105.db2.gz FUMDCIDWELPIHU-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000310345244 411235108 /nfs/dbraw/zinc/23/51/08/411235108.db2.gz FUMDCIDWELPIHU-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000310345244 411235114 /nfs/dbraw/zinc/23/51/14/411235114.db2.gz FUMDCIDWELPIHU-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CCC[NH2+]C)cn1 ZINC000423202861 411238238 /nfs/dbraw/zinc/23/82/38/411238238.db2.gz RNKNUZLOIVEQCF-JTQLQIEISA-N 2 1 210.325 1.163 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC1CCCC1 ZINC000310508475 411239256 /nfs/dbraw/zinc/23/92/56/411239256.db2.gz JRIJQCHYQWAVJS-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC1CCCC1 ZINC000310508475 411239258 /nfs/dbraw/zinc/23/92/58/411239258.db2.gz JRIJQCHYQWAVJS-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC1CCCC1 ZINC000310508475 411239259 /nfs/dbraw/zinc/23/92/59/411239259.db2.gz JRIJQCHYQWAVJS-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP c1c(C[NH+]2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000656457536 411266672 /nfs/dbraw/zinc/26/66/72/411266672.db2.gz XLMAWDIOMFUNRK-UHFFFAOYSA-N 2 1 249.362 1.189 20 0 BDADMP CC[N@@H+](CCC[NH2+]C)[C@@H]1CCCOC1 ZINC000402594353 411270978 /nfs/dbraw/zinc/27/09/78/411270978.db2.gz NIIMEAHTZFHLJX-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1(CO)CC1 ZINC000658159786 411273190 /nfs/dbraw/zinc/27/31/90/411273190.db2.gz KVUZTLMXIRWMOZ-WOPDTQHZSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1(CO)CC1 ZINC000658159786 411273192 /nfs/dbraw/zinc/27/31/92/411273192.db2.gz KVUZTLMXIRWMOZ-WOPDTQHZSA-N 2 1 226.364 1.220 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000658161070 411274129 /nfs/dbraw/zinc/27/41/29/411274129.db2.gz IZVDAFGDQHNSTL-RNJOBUHISA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000658161070 411274133 /nfs/dbraw/zinc/27/41/33/411274133.db2.gz IZVDAFGDQHNSTL-RNJOBUHISA-N 2 1 226.364 1.626 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1(CO)CCCCC1 ZINC000656474831 411278589 /nfs/dbraw/zinc/27/85/89/411278589.db2.gz HXEOMPQIIQUVOO-UHFFFAOYSA-N 2 1 237.347 1.247 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C12CCC2 ZINC000401689629 411283922 /nfs/dbraw/zinc/28/39/22/411283922.db2.gz ZVEYHJZHCBFUDG-QWHCGFSZSA-N 2 1 249.358 1.510 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658189989 411286105 /nfs/dbraw/zinc/28/61/05/411286105.db2.gz BAIVNXGAASJQIW-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000401710284 411299373 /nfs/dbraw/zinc/29/93/73/411299373.db2.gz DHYQHBQXHPGFOZ-PWSUYJOCSA-N 2 1 212.337 1.001 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000219754763 411314088 /nfs/dbraw/zinc/31/40/88/411314088.db2.gz KFNFSPZBMNIOGG-SMDDNHRTSA-N 2 1 234.343 1.864 20 0 BDADMP COC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402819578 411317706 /nfs/dbraw/zinc/31/77/06/411317706.db2.gz AMERIRAXSCCHQN-WOPDTQHZSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050247460 411255570 /nfs/dbraw/zinc/25/55/70/411255570.db2.gz UHIUEDQBGGEEHU-CQSZACIVSA-N 2 1 248.370 1.963 20 0 BDADMP CCC[C@@H]([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656441080 411258770 /nfs/dbraw/zinc/25/87/70/411258770.db2.gz SBFQDDYIFQPSKQ-SNVBAGLBSA-N 2 1 217.276 1.462 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](CC)CO1 ZINC000403766171 411358261 /nfs/dbraw/zinc/35/82/61/411358261.db2.gz BJQSQAKJSWRMCI-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](CC)CO1 ZINC000403766171 411358264 /nfs/dbraw/zinc/35/82/64/411358264.db2.gz BJQSQAKJSWRMCI-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000403858816 411363645 /nfs/dbraw/zinc/36/36/45/411363645.db2.gz YTJOVFMVBPSSFX-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000403858816 411363647 /nfs/dbraw/zinc/36/36/47/411363647.db2.gz YTJOVFMVBPSSFX-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CCc1noc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000070188119 411371364 /nfs/dbraw/zinc/37/13/64/411371364.db2.gz DJHILQCIWKNHMM-UHFFFAOYSA-N 2 1 238.335 1.193 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658330011 411337064 /nfs/dbraw/zinc/33/70/64/411337064.db2.gz GZYPQIBWMZTDNS-OLZOCXBDSA-N 2 1 224.348 1.380 20 0 BDADMP Cn1cncc1CC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000656715142 411338225 /nfs/dbraw/zinc/33/82/25/411338225.db2.gz VEDPDPKZNQWLMQ-CYBMUJFWSA-N 2 1 249.358 1.342 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)CC[N@H+]1C ZINC000658330416 411338371 /nfs/dbraw/zinc/33/83/71/411338371.db2.gz JGPXGNFKBMKDHN-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP CC1(C[NH+]2CCC([NH+]3CCCC3)CC2)COC1 ZINC000336703572 168024400 /nfs/dbraw/zinc/02/44/00/168024400.db2.gz MSNMBPOYLGLPSQ-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309436174 411383357 /nfs/dbraw/zinc/38/33/57/411383357.db2.gz MWQBFPHAKWZNMD-DGCLKSJQSA-N 2 1 219.332 1.813 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CO1 ZINC000657312036 411459522 /nfs/dbraw/zinc/45/95/22/411459522.db2.gz CPRUBBUDOLZTAM-REWJHTLYSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CO1 ZINC000657312036 411459523 /nfs/dbraw/zinc/45/95/23/411459523.db2.gz CPRUBBUDOLZTAM-REWJHTLYSA-N 2 1 238.375 1.770 20 0 BDADMP COCCCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404427704 411396337 /nfs/dbraw/zinc/39/63/37/411396337.db2.gz MRNCJLMHBREFJU-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000070360488 411407831 /nfs/dbraw/zinc/40/78/31/411407831.db2.gz OZEKCYFLCXXNNV-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)nc(C)[nH+]1 ZINC000657208340 411418973 /nfs/dbraw/zinc/41/89/73/411418973.db2.gz GUAQICPKANLHCY-OLZOCXBDSA-N 2 1 246.358 1.481 20 0 BDADMP Cc1cc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)nc(C)[nH+]1 ZINC000657208340 411418977 /nfs/dbraw/zinc/41/89/77/411418977.db2.gz GUAQICPKANLHCY-OLZOCXBDSA-N 2 1 246.358 1.481 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C[NH3+] ZINC000405442265 411429577 /nfs/dbraw/zinc/42/95/77/411429577.db2.gz LNDKGCONHSCTCV-HUUCEWRRSA-N 2 1 248.370 1.525 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(CC3C[NH2+]C3)c2C[C@H]1C ZINC000309490253 411498900 /nfs/dbraw/zinc/49/89/00/411498900.db2.gz IIPBXAYCQRRLMX-NXEZZACHSA-N 2 1 219.332 1.473 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CO1 ZINC000657427393 411503591 /nfs/dbraw/zinc/50/35/91/411503591.db2.gz MXPKQVXYEYEVGF-QWHCGFSZSA-N 2 1 224.348 1.405 20 0 BDADMP C[NH+](C)C1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000655793040 411515688 /nfs/dbraw/zinc/51/56/88/411515688.db2.gz MWRRPUHGXOIQDX-AHPWVWPOSA-N 2 1 237.391 1.295 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805011 411519216 /nfs/dbraw/zinc/51/92/16/411519216.db2.gz IFHLSCXPIFFHKB-ZMLRMANQSA-N 2 1 236.363 1.709 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657483148 411528710 /nfs/dbraw/zinc/52/87/10/411528710.db2.gz KUFJLTWDULRXNI-URSGVKGYSA-N 2 1 238.375 1.769 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCO)C[C@H]1C ZINC000336650806 170009250 /nfs/dbraw/zinc/00/92/50/170009250.db2.gz TVUZJAMTSLRBLA-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCO)C[C@H]1C ZINC000336650806 170009251 /nfs/dbraw/zinc/00/92/51/170009251.db2.gz TVUZJAMTSLRBLA-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)[C@@H](C)C1 ZINC000367708934 170020105 /nfs/dbraw/zinc/02/01/05/170020105.db2.gz QTAFCPINXOAFFO-YHQUGGNUSA-N 2 1 238.375 1.199 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C(C)C)[C@H](C)C1 ZINC000305121222 170021554 /nfs/dbraw/zinc/02/15/54/170021554.db2.gz HEBDKSWVSAQXIV-RDBSUJKOSA-N 2 1 242.407 1.713 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H](C)C1 ZINC000660310611 411567225 /nfs/dbraw/zinc/56/72/25/411567225.db2.gz OUGNRKKVIPUIBY-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000660310611 411567226 /nfs/dbraw/zinc/56/72/26/411567226.db2.gz OUGNRKKVIPUIBY-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H](C)C1 ZINC000660310611 411567229 /nfs/dbraw/zinc/56/72/29/411567229.db2.gz OUGNRKKVIPUIBY-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127725121 170383308 /nfs/dbraw/zinc/38/33/08/170383308.db2.gz VASQPDOOOQYKPS-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP CCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747037 170388835 /nfs/dbraw/zinc/38/88/35/170388835.db2.gz SBQHYVOYIJLSAC-FOSCPWQOSA-N 2 1 212.337 1.238 20 0 BDADMP COC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345872 411633446 /nfs/dbraw/zinc/63/34/46/411633446.db2.gz NDQPFBGKYNVRGH-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345875 411633778 /nfs/dbraw/zinc/63/37/78/411633778.db2.gz NDQPFBGKYNVRGH-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660415159 411581249 /nfs/dbraw/zinc/58/12/49/411581249.db2.gz ALDRBSOLWOIQSS-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616122 411608082 /nfs/dbraw/zinc/60/80/82/411608082.db2.gz GYRYAQIMWJEQFC-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616122 411608083 /nfs/dbraw/zinc/60/80/83/411608083.db2.gz GYRYAQIMWJEQFC-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616122 411608084 /nfs/dbraw/zinc/60/80/84/411608084.db2.gz GYRYAQIMWJEQFC-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659190 411614359 /nfs/dbraw/zinc/61/43/59/411614359.db2.gz NLYSBKXYQBSYSD-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659190 411614361 /nfs/dbraw/zinc/61/43/61/411614361.db2.gz NLYSBKXYQBSYSD-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659190 411614362 /nfs/dbraw/zinc/61/43/62/411614362.db2.gz NLYSBKXYQBSYSD-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660024 411614922 /nfs/dbraw/zinc/61/49/22/411614922.db2.gz SLEBMCJAUFAYRZ-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660024 411614924 /nfs/dbraw/zinc/61/49/24/411614924.db2.gz SLEBMCJAUFAYRZ-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660024 411614926 /nfs/dbraw/zinc/61/49/26/411614926.db2.gz SLEBMCJAUFAYRZ-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665122 411616032 /nfs/dbraw/zinc/61/60/32/411616032.db2.gz UMBIYJKXVPAACV-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665122 411616033 /nfs/dbraw/zinc/61/60/33/411616033.db2.gz UMBIYJKXVPAACV-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665122 411616034 /nfs/dbraw/zinc/61/60/34/411616034.db2.gz UMBIYJKXVPAACV-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)[C@@H]1CC[NH3+] ZINC000663497471 411678390 /nfs/dbraw/zinc/67/83/90/411678390.db2.gz OSSMQFGFGZRKAH-SYQHCUMBSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)[C@@H]1CC[NH3+] ZINC000663497471 411678393 /nfs/dbraw/zinc/67/83/93/411678393.db2.gz OSSMQFGFGZRKAH-SYQHCUMBSA-N 3 1 237.391 1.045 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000663514172 411695159 /nfs/dbraw/zinc/69/51/59/411695159.db2.gz NVKBDSOZOYHEEU-JTQLQIEISA-N 2 1 204.317 1.351 20 0 BDADMP Cc1cc(N2CC(C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000663950784 411788551 /nfs/dbraw/zinc/78/85/51/411788551.db2.gz LWMQIYBYZFUCOP-UHFFFAOYSA-N 2 1 220.320 1.091 20 0 BDADMP Cn1cncc1CCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661711189 411854183 /nfs/dbraw/zinc/85/41/83/411854183.db2.gz XQPRVEUWWSPWFC-TZMCWYRMSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661711189 411854185 /nfs/dbraw/zinc/85/41/85/411854185.db2.gz XQPRVEUWWSPWFC-TZMCWYRMSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661711189 411854190 /nfs/dbraw/zinc/85/41/90/411854190.db2.gz XQPRVEUWWSPWFC-TZMCWYRMSA-N 2 1 249.358 1.321 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664244089 411894961 /nfs/dbraw/zinc/89/49/61/411894961.db2.gz VTZKYEHTAJYPKR-CHWSQXEVSA-N 2 1 249.358 1.333 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664244089 411894965 /nfs/dbraw/zinc/89/49/65/411894965.db2.gz VTZKYEHTAJYPKR-CHWSQXEVSA-N 2 1 249.358 1.333 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000661767594 411879077 /nfs/dbraw/zinc/87/90/77/411879077.db2.gz MTARTRXPSSDUDP-NWDGAFQWSA-N 2 1 223.320 1.118 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767682 411879586 /nfs/dbraw/zinc/87/95/86/411879586.db2.gz OFJHZNXGJCWVSB-CMPLNLGQSA-N 2 1 223.320 1.037 20 0 BDADMP C(C[N@H+]1CCC2(COC2)C1)C[NH+]1CCCCC1 ZINC000662071759 411971095 /nfs/dbraw/zinc/97/10/95/411971095.db2.gz BQAAIXUXSFSPSE-UHFFFAOYSA-N 2 1 238.375 1.585 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139322 412001153 /nfs/dbraw/zinc/00/11/53/412001153.db2.gz ATYGBXMJHXKGHU-ZIAGYGMSSA-N 2 1 242.407 1.669 20 0 BDADMP O[C@H]1CC[N@H+](C2CC[NH+](CCC3CC3)CC2)C1 ZINC000662152612 412008443 /nfs/dbraw/zinc/00/84/43/412008443.db2.gz VRHIPBOYRVHONI-AWEZNQCLSA-N 2 1 238.375 1.318 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CCC[NH2+]C ZINC000664719826 412014752 /nfs/dbraw/zinc/01/47/52/412014752.db2.gz DZYGYEQGCVEIET-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP C[C@]1(C(F)F)C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000662239048 412035230 /nfs/dbraw/zinc/03/52/30/412035230.db2.gz UNEUGXVDSAGFHV-GFCCVEGCSA-N 2 1 248.317 1.342 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000662245187 412040692 /nfs/dbraw/zinc/04/06/92/412040692.db2.gz RWBFLFXFSZKLJF-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000662245187 412040697 /nfs/dbraw/zinc/04/06/97/412040697.db2.gz RWBFLFXFSZKLJF-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@@H](C[N@@H+]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000662245192 412041381 /nfs/dbraw/zinc/04/13/81/412041381.db2.gz RWBFLFXFSZKLJF-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000662245192 412041384 /nfs/dbraw/zinc/04/13/84/412041384.db2.gz RWBFLFXFSZKLJF-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@@H]1C[NH3+])C1CCC1 ZINC000662246477 412043830 /nfs/dbraw/zinc/04/38/30/412043830.db2.gz UNZNMLCDFJICCW-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H]1C[NH3+])C1CCC1 ZINC000662246477 412043832 /nfs/dbraw/zinc/04/38/32/412043832.db2.gz UNZNMLCDFJICCW-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662264958 412056149 /nfs/dbraw/zinc/05/61/49/412056149.db2.gz FOCWNSDPSBUGNR-YYHQMBLXSA-N 2 1 208.349 1.702 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000662272538 412063179 /nfs/dbraw/zinc/06/31/79/412063179.db2.gz ONYILVYKVPASHE-LBPRGKRZSA-N 2 1 223.320 1.408 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000662272538 412063185 /nfs/dbraw/zinc/06/31/85/412063185.db2.gz ONYILVYKVPASHE-LBPRGKRZSA-N 2 1 223.320 1.408 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310523219 171126881 /nfs/dbraw/zinc/12/68/81/171126881.db2.gz VEMJETIDHNIXOD-OUCADQQQSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310523219 171126884 /nfs/dbraw/zinc/12/68/84/171126884.db2.gz VEMJETIDHNIXOD-OUCADQQQSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310523219 171126886 /nfs/dbraw/zinc/12/68/86/171126886.db2.gz VEMJETIDHNIXOD-OUCADQQQSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310523219 171126887 /nfs/dbraw/zinc/12/68/87/171126887.db2.gz VEMJETIDHNIXOD-OUCADQQQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662276257 412068581 /nfs/dbraw/zinc/06/85/81/412068581.db2.gz IAIVDJAZCQJVGX-QWQWKMKNSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662283743 412075718 /nfs/dbraw/zinc/07/57/18/412075718.db2.gz KCLLDCBIZWJTIY-BBBLOLIVSA-N 2 1 234.290 1.222 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCO[C@H]1CC1(F)F ZINC000662283743 412075724 /nfs/dbraw/zinc/07/57/24/412075724.db2.gz KCLLDCBIZWJTIY-BBBLOLIVSA-N 2 1 234.290 1.222 20 0 BDADMP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cn1 ZINC000662295476 412084553 /nfs/dbraw/zinc/08/45/53/412084553.db2.gz LBBFTLFXXJNIHD-GFCCVEGCSA-N 2 1 235.331 1.132 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cn1 ZINC000662295476 412084556 /nfs/dbraw/zinc/08/45/56/412084556.db2.gz LBBFTLFXXJNIHD-GFCCVEGCSA-N 2 1 235.331 1.132 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662290194 412080525 /nfs/dbraw/zinc/08/05/25/412080525.db2.gz MSBCVIWVCLKBIG-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)no1 ZINC000662291995 412081675 /nfs/dbraw/zinc/08/16/75/412081675.db2.gz ZYASRBFKPASIGJ-ZDUSSCGKSA-N 2 1 249.358 1.886 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315092 412095567 /nfs/dbraw/zinc/09/55/67/412095567.db2.gz GJAMQQZVIWVXIR-CHWSQXEVSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)[C@@H]1CCC[NH3+] ZINC000662314116 412095601 /nfs/dbraw/zinc/09/56/01/412095601.db2.gz CFHGSXHEPAYOSA-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236812 412177220 /nfs/dbraw/zinc/17/72/20/412177220.db2.gz VBTIMUMDIFLIKX-QJPTWQEYSA-N 2 1 227.396 1.575 20 0 BDADMP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H]2CCCO[C@@H]21 ZINC000665242575 412186591 /nfs/dbraw/zinc/18/65/91/412186591.db2.gz BMODXOXRZILATL-YFKTTZPYSA-N 2 1 224.348 1.142 20 0 BDADMP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H]2CCCO[C@H]21 ZINC000665242573 412187270 /nfs/dbraw/zinc/18/72/70/412187270.db2.gz BMODXOXRZILATL-NNYUYHANSA-N 2 1 224.348 1.142 20 0 BDADMP [NH3+]C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000665248555 412195676 /nfs/dbraw/zinc/19/56/76/412195676.db2.gz ZDKHAGIQYFHNSX-QWHCGFSZSA-N 2 1 237.391 1.474 20 0 BDADMP COCc1csc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000665263686 412207560 /nfs/dbraw/zinc/20/75/60/412207560.db2.gz RXIZEJJDDRZRQI-RYUDHWBXSA-N 2 1 240.372 1.864 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000665265678 412208992 /nfs/dbraw/zinc/20/89/92/412208992.db2.gz ZGYDEYNYGUZCJT-BBBLOLIVSA-N 2 1 218.291 1.619 20 0 BDADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000665267245 412210755 /nfs/dbraw/zinc/21/07/55/412210755.db2.gz SNIHKVUHVCWSGP-OUAUKWLOSA-N 2 1 248.317 1.388 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000665274381 412217326 /nfs/dbraw/zinc/21/73/26/412217326.db2.gz PAEQJILZUDEYCT-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1nccn1C ZINC000665280933 412226434 /nfs/dbraw/zinc/22/64/34/412226434.db2.gz PMAKZRBMOKTELO-GHMZBOCLSA-N 2 1 224.352 1.444 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000665295889 412233511 /nfs/dbraw/zinc/23/35/11/412233511.db2.gz LAOOCQUJQLEJMP-YFKTTZPYSA-N 2 1 226.364 1.388 20 0 BDADMP C[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000662964976 412358145 /nfs/dbraw/zinc/35/81/45/412358145.db2.gz GRSXPGDWTOWANZ-DGCLKSJQSA-N 2 1 249.358 1.013 20 0 BDADMP OC1(CC[N@H+]2CCC[C@H](n3ccnc3)C2)CCC1 ZINC000662751199 412291430 /nfs/dbraw/zinc/29/14/30/412291430.db2.gz PTHJPMADINPMGV-ZDUSSCGKSA-N 2 1 249.358 1.825 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)[C@H](C)C1 ZINC000133048360 412393073 /nfs/dbraw/zinc/39/30/73/412393073.db2.gz ZXVVOTLLGNNSHJ-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229084944 172164229 /nfs/dbraw/zinc/16/42/29/172164229.db2.gz DWCASYPNOGTYRM-AAEUAGOBSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229084944 172164231 /nfs/dbraw/zinc/16/42/31/172164231.db2.gz DWCASYPNOGTYRM-AAEUAGOBSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000227073403 172164359 /nfs/dbraw/zinc/16/43/59/172164359.db2.gz QYKHWGGVZQNPKY-JQWIXIFHSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000227073403 172164362 /nfs/dbraw/zinc/16/43/62/172164362.db2.gz QYKHWGGVZQNPKY-JQWIXIFHSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc(CNC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000112097517 172170253 /nfs/dbraw/zinc/17/02/53/172170253.db2.gz QTHYKMKTEKJHNH-LBPRGKRZSA-N 2 1 222.336 1.087 20 0 BDADMP CCn1cc(CNC[C@@H]2CCC[N@H+]2C)cn1 ZINC000112097517 172170255 /nfs/dbraw/zinc/17/02/55/172170255.db2.gz QTHYKMKTEKJHNH-LBPRGKRZSA-N 2 1 222.336 1.087 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000335600555 172996282 /nfs/dbraw/zinc/99/62/82/172996282.db2.gz QHMRECFFJZGMME-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000336622783 173003126 /nfs/dbraw/zinc/00/31/26/173003126.db2.gz PTGDYFFSQKZCRW-UHFFFAOYSA-N 2 1 248.374 1.480 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CO)CC1 ZINC000339750624 173028492 /nfs/dbraw/zinc/02/84/92/173028492.db2.gz OIRKECHBJWMBGP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000339750624 173028501 /nfs/dbraw/zinc/02/85/01/173028501.db2.gz OIRKECHBJWMBGP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CO)CC1 ZINC000339750624 173028502 /nfs/dbraw/zinc/02/85/02/173028502.db2.gz OIRKECHBJWMBGP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CO ZINC000119137993 173029539 /nfs/dbraw/zinc/02/95/39/173029539.db2.gz JIMIIOMNKFYVJP-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CO ZINC000119137993 173029540 /nfs/dbraw/zinc/02/95/40/173029540.db2.gz JIMIIOMNKFYVJP-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CO ZINC000119137993 173029542 /nfs/dbraw/zinc/02/95/42/173029542.db2.gz JIMIIOMNKFYVJP-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000336699994 173040570 /nfs/dbraw/zinc/04/05/70/173040570.db2.gz JZWDFBGAOIMWCU-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@@H]1CCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000336699994 173040572 /nfs/dbraw/zinc/04/05/72/173040572.db2.gz JZWDFBGAOIMWCU-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@@H]1CCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336699994 173040575 /nfs/dbraw/zinc/04/05/75/173040575.db2.gz JZWDFBGAOIMWCU-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000054788389 173041177 /nfs/dbraw/zinc/04/11/77/173041177.db2.gz ZRAHCEPDGAFLMB-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000054788389 173041178 /nfs/dbraw/zinc/04/11/78/173041178.db2.gz ZRAHCEPDGAFLMB-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)CC1CC1 ZINC000336702087 173051193 /nfs/dbraw/zinc/05/11/93/173051193.db2.gz MZJKKHFUTTVGAQ-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)CC1CC1 ZINC000336702087 173051195 /nfs/dbraw/zinc/05/11/95/173051195.db2.gz MZJKKHFUTTVGAQ-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)CC1CC1 ZINC000336702087 173051197 /nfs/dbraw/zinc/05/11/97/173051197.db2.gz MZJKKHFUTTVGAQ-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](n2cncn2)C1 ZINC000364536332 173054730 /nfs/dbraw/zinc/05/47/30/173054730.db2.gz ZPEGWJDLKMHYIS-QWHCGFSZSA-N 2 1 249.362 1.009 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](n2cncn2)C1 ZINC000364536332 173054733 /nfs/dbraw/zinc/05/47/33/173054733.db2.gz ZPEGWJDLKMHYIS-QWHCGFSZSA-N 2 1 249.362 1.009 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364536332 173054734 /nfs/dbraw/zinc/05/47/34/173054734.db2.gz ZPEGWJDLKMHYIS-QWHCGFSZSA-N 2 1 249.362 1.009 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364536332 173054735 /nfs/dbraw/zinc/05/47/35/173054735.db2.gz ZPEGWJDLKMHYIS-QWHCGFSZSA-N 2 1 249.362 1.009 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]CCCO)C[C@H]1c1ccccc1 ZINC000340169146 173124627 /nfs/dbraw/zinc/12/46/27/173124627.db2.gz ZRAYWYVAZCAVTA-CABCVRRESA-N 2 1 248.370 1.794 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCCO)C[C@H]1c1ccccc1 ZINC000340169146 173124629 /nfs/dbraw/zinc/12/46/29/173124629.db2.gz ZRAYWYVAZCAVTA-CABCVRRESA-N 2 1 248.370 1.794 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@H]2CCC[C@H]21 ZINC000367884930 173154675 /nfs/dbraw/zinc/15/46/75/173154675.db2.gz IXZCQJASWFEMET-RFQIPJPRSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccn2)C1 ZINC000334153031 173162848 /nfs/dbraw/zinc/16/28/48/173162848.db2.gz NHJUILMIEKSZHM-ZFWWWQNUSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccn2)C1 ZINC000334153031 173162849 /nfs/dbraw/zinc/16/28/49/173162849.db2.gz NHJUILMIEKSZHM-ZFWWWQNUSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccn2)C1 ZINC000334153031 173162851 /nfs/dbraw/zinc/16/28/51/173162851.db2.gz NHJUILMIEKSZHM-ZFWWWQNUSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000338008136 173163974 /nfs/dbraw/zinc/16/39/74/173163974.db2.gz BOJDJUJAECFTEB-MJBXVCDLSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000338008136 173163975 /nfs/dbraw/zinc/16/39/75/173163975.db2.gz BOJDJUJAECFTEB-MJBXVCDLSA-N 2 1 238.375 1.221 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCC=CO3)C2)C1 ZINC000366478541 173166675 /nfs/dbraw/zinc/16/66/75/173166675.db2.gz FILJRSMAPIIFIJ-KGLIPLIRSA-N 2 1 236.359 1.707 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCC=CO3)C2)C1 ZINC000366478541 173166677 /nfs/dbraw/zinc/16/66/77/173166677.db2.gz FILJRSMAPIIFIJ-KGLIPLIRSA-N 2 1 236.359 1.707 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC000336510789 173168377 /nfs/dbraw/zinc/16/83/77/173168377.db2.gz MMXNXYPOJLYYHC-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@@H]3CCCO3)C2)C1 ZINC000336510789 173168379 /nfs/dbraw/zinc/16/83/79/173168379.db2.gz MMXNXYPOJLYYHC-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@@H]3CCCO3)C2)C1 ZINC000336510789 173168380 /nfs/dbraw/zinc/16/83/80/173168380.db2.gz MMXNXYPOJLYYHC-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC000193656747 173197179 /nfs/dbraw/zinc/19/71/79/173197179.db2.gz VTSPBNIEPHMHHH-PHIMTYICSA-N 2 1 222.357 1.742 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC000193656747 173197182 /nfs/dbraw/zinc/19/71/82/173197182.db2.gz VTSPBNIEPHMHHH-PHIMTYICSA-N 2 1 222.357 1.742 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000193656747 173197183 /nfs/dbraw/zinc/19/71/83/173197183.db2.gz VTSPBNIEPHMHHH-PHIMTYICSA-N 2 1 222.357 1.742 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC000193656747 173197185 /nfs/dbraw/zinc/19/71/85/173197185.db2.gz VTSPBNIEPHMHHH-PHIMTYICSA-N 2 1 222.357 1.742 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000037469302 173322926 /nfs/dbraw/zinc/32/29/26/173322926.db2.gz GUZSSGXXADRJKF-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC000054627776 173323677 /nfs/dbraw/zinc/32/36/77/173323677.db2.gz KJFKADAKJHLORJ-AGUYFDCRSA-N 2 1 231.343 1.796 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC000054627776 173323679 /nfs/dbraw/zinc/32/36/79/173323679.db2.gz KJFKADAKJHLORJ-AGUYFDCRSA-N 2 1 231.343 1.796 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000054629100 173323839 /nfs/dbraw/zinc/32/38/39/173323839.db2.gz OTAFQXNMFTYENI-FUDCBSFHSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+]CCCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000294979086 173343665 /nfs/dbraw/zinc/34/36/65/173343665.db2.gz GVFDPFSCNKJXIZ-UHFFFAOYSA-N 2 1 247.342 1.122 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000083347789 173348825 /nfs/dbraw/zinc/34/88/25/173348825.db2.gz OFUBPDNCXPWIIA-UHFFFAOYSA-N 2 1 214.259 1.664 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000128241135 173368115 /nfs/dbraw/zinc/36/81/15/173368115.db2.gz NXYDSEZTVIFILN-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000128241135 173368117 /nfs/dbraw/zinc/36/81/17/173368117.db2.gz NXYDSEZTVIFILN-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000053031390 173371245 /nfs/dbraw/zinc/37/12/45/173371245.db2.gz XFYCRZGEJMAWSQ-ZDUSSCGKSA-N 2 1 219.332 1.165 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000070798601 173381675 /nfs/dbraw/zinc/38/16/75/173381675.db2.gz FLBUBILKTKEUIG-LLVKDONJSA-N 2 1 223.320 1.333 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000070798601 173381677 /nfs/dbraw/zinc/38/16/77/173381677.db2.gz FLBUBILKTKEUIG-LLVKDONJSA-N 2 1 223.320 1.333 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000232664562 487627074 /nfs/dbraw/zinc/62/70/74/487627074.db2.gz BSAIAJPTCDAEQM-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000232664562 487627080 /nfs/dbraw/zinc/62/70/80/487627080.db2.gz BSAIAJPTCDAEQM-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP COCC1=CC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000336693615 174115481 /nfs/dbraw/zinc/11/54/81/174115481.db2.gz ODIUHJWGLDNRIY-UHFFFAOYSA-N 2 1 249.358 1.860 20 0 BDADMP COCC1=CC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000336693615 174115482 /nfs/dbraw/zinc/11/54/82/174115482.db2.gz ODIUHJWGLDNRIY-UHFFFAOYSA-N 2 1 249.358 1.860 20 0 BDADMP COCC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000069633133 174120579 /nfs/dbraw/zinc/12/05/79/174120579.db2.gz CLUBVNJMWOQUHF-CYBMUJFWSA-N 2 1 228.380 1.718 20 0 BDADMP COCCCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000336770712 174203648 /nfs/dbraw/zinc/20/36/48/174203648.db2.gz WVPBCYJTSKICNP-LLVKDONJSA-N 2 1 200.326 1.130 20 0 BDADMP COCCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000120411397 174216373 /nfs/dbraw/zinc/21/63/73/174216373.db2.gz LKKOHVOQPRFJOJ-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP COCCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000120411397 174216375 /nfs/dbraw/zinc/21/63/75/174216375.db2.gz LKKOHVOQPRFJOJ-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP COCCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000120411397 174216378 /nfs/dbraw/zinc/21/63/78/174216378.db2.gz LKKOHVOQPRFJOJ-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC1(C)C ZINC000336776148 174274679 /nfs/dbraw/zinc/27/46/79/174274679.db2.gz DWUKPZDFFMLCOQ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000340176227 174274968 /nfs/dbraw/zinc/27/49/68/174274968.db2.gz KVNWNVCEZYWBHM-GFCCVEGCSA-N 2 1 244.379 1.112 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336778279 174275174 /nfs/dbraw/zinc/27/51/74/174275174.db2.gz KXPJTFWTUYGRGX-YNEHKIRRSA-N 2 1 228.380 1.589 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C1CC(C)(C)C1 ZINC000309836996 174275665 /nfs/dbraw/zinc/27/56/65/174275665.db2.gz BKYHICNURTWJLO-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP COC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000045655910 174532969 /nfs/dbraw/zinc/53/29/69/174532969.db2.gz CWRCDNMOCWCAQV-ODWCKFRGSA-N 2 1 226.364 1.484 20 0 BDADMP COc1cccc(F)c1[C@H](C)[NH2+]CCC[NH3+] ZINC000126871508 175274195 /nfs/dbraw/zinc/27/41/95/175274195.db2.gz CPSLQAFSIBPLFX-VIFPVBQESA-N 2 1 226.295 1.834 20 0 BDADMP COc1cccc([C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320505 175287066 /nfs/dbraw/zinc/28/70/66/175287066.db2.gz STAWXCCJSNNQBM-BNOWGMLFSA-N 2 1 246.354 1.907 20 0 BDADMP COc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994664 175328333 /nfs/dbraw/zinc/32/83/33/175328333.db2.gz CCTMMFZQKYEXOG-OAHLLOKOSA-N 2 1 246.354 1.881 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994664 175328335 /nfs/dbraw/zinc/32/83/35/175328335.db2.gz CCTMMFZQKYEXOG-OAHLLOKOSA-N 2 1 246.354 1.881 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000234907435 175333993 /nfs/dbraw/zinc/33/39/93/175333993.db2.gz IESQWDMCECTZQC-JSGCOSHPSA-N 2 1 248.370 1.968 20 0 BDADMP C[C@@H](c1ccccc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070069805 176021176 /nfs/dbraw/zinc/02/11/76/176021176.db2.gz YPCKPHUGOPICNA-AWEZNQCLSA-N 2 1 247.386 1.585 20 0 BDADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361219307 176051468 /nfs/dbraw/zinc/05/14/68/176051468.db2.gz CIYTYAKMTKEBFK-JHJVBQTASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309761057 176080894 /nfs/dbraw/zinc/08/08/94/176080894.db2.gz ISYGMNCGHQAWDR-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309761057 176080901 /nfs/dbraw/zinc/08/09/01/176080901.db2.gz ISYGMNCGHQAWDR-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310480781 176081049 /nfs/dbraw/zinc/08/10/49/176081049.db2.gz CXSNBSLTVGMLNS-BNOWGMLFSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310480781 176081051 /nfs/dbraw/zinc/08/10/51/176081051.db2.gz CXSNBSLTVGMLNS-BNOWGMLFSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358174746 176085612 /nfs/dbraw/zinc/08/56/12/176085612.db2.gz ZBIRGBUPBVPWDR-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358174746 176085613 /nfs/dbraw/zinc/08/56/13/176085613.db2.gz ZBIRGBUPBVPWDR-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1CO ZINC000305705904 176097850 /nfs/dbraw/zinc/09/78/50/176097850.db2.gz YEKXBHLNCLOALY-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H]1CO ZINC000305705904 176097852 /nfs/dbraw/zinc/09/78/52/176097852.db2.gz YEKXBHLNCLOALY-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H]1CO ZINC000305705904 176097854 /nfs/dbraw/zinc/09/78/54/176097854.db2.gz YEKXBHLNCLOALY-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCOCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000374986854 176187981 /nfs/dbraw/zinc/18/79/81/176187981.db2.gz BVFNUOXJOVCHLF-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CCC[NH+]1CCCC1 ZINC000374986854 176187983 /nfs/dbraw/zinc/18/79/83/176187983.db2.gz BVFNUOXJOVCHLF-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000336678281 176268277 /nfs/dbraw/zinc/26/82/77/176268277.db2.gz BPKKZIWCBDMJJN-NDBYEHHHSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000336766801 176268618 /nfs/dbraw/zinc/26/86/18/176268618.db2.gz SKVLUSJYJXZTEM-KXNHARMFSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000336766801 176268619 /nfs/dbraw/zinc/26/86/19/176268619.db2.gz SKVLUSJYJXZTEM-KXNHARMFSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361982975 176269027 /nfs/dbraw/zinc/26/90/27/176269027.db2.gz SEUVRQFXMIAMEB-BLYZHGLHSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361982975 176269029 /nfs/dbraw/zinc/26/90/29/176269029.db2.gz SEUVRQFXMIAMEB-BLYZHGLHSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000336773084 176269280 /nfs/dbraw/zinc/26/92/80/176269280.db2.gz YQJYYXSRQUDIQT-WOPDTQHZSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000358310762 176269992 /nfs/dbraw/zinc/26/99/92/176269992.db2.gz WXRHNZLLGZYCOD-HIFRSBDPSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000309803725 176270926 /nfs/dbraw/zinc/27/09/26/176270926.db2.gz RQTITTXLHOGSLX-IKWCTNDRSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000356911287 176271089 /nfs/dbraw/zinc/27/10/89/176271089.db2.gz IRILDYYTWSEIKM-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000045663920 176278663 /nfs/dbraw/zinc/27/86/63/176278663.db2.gz SWGJRMYSHFCPFX-MCIONIFRSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000045663920 176278665 /nfs/dbraw/zinc/27/86/65/176278665.db2.gz SWGJRMYSHFCPFX-MCIONIFRSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000353484282 176278907 /nfs/dbraw/zinc/27/89/07/176278907.db2.gz JGKVKPHUXWZPFG-RFHZTLPTSA-N 2 1 240.391 1.323 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000161644169 176292591 /nfs/dbraw/zinc/29/25/91/176292591.db2.gz FFAHLMFXPGDBOF-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000161644169 176292592 /nfs/dbraw/zinc/29/25/92/176292592.db2.gz FFAHLMFXPGDBOF-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCS1 ZINC000161644169 176292593 /nfs/dbraw/zinc/29/25/93/176292593.db2.gz FFAHLMFXPGDBOF-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305855738 176341316 /nfs/dbraw/zinc/34/13/16/176341316.db2.gz BMZSLFVOERXFKK-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000336773825 176353306 /nfs/dbraw/zinc/35/33/06/176353306.db2.gz ZFRSRHNHIQRAAK-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336676082 176361799 /nfs/dbraw/zinc/36/17/99/176361799.db2.gz CFAIDCLMASFNLX-BZPMIXESSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336676082 176361800 /nfs/dbraw/zinc/36/18/00/176361800.db2.gz CFAIDCLMASFNLX-BZPMIXESSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235379347 176367482 /nfs/dbraw/zinc/36/74/82/176367482.db2.gz YTTYXAJJWPTPPX-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H](C[NH+]2CCC(N(C)C)CC2)CC[NH2+]1 ZINC000235380741 176369253 /nfs/dbraw/zinc/36/92/53/176369253.db2.gz NKQKUGNGRXWKKA-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)CC[N@H+]1C ZINC000289740572 176376499 /nfs/dbraw/zinc/37/64/99/176376499.db2.gz KOXMEOLSQLDEGO-PWSUYJOCSA-N 2 1 222.336 1.025 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[N@H+]1C ZINC000156609784 176378386 /nfs/dbraw/zinc/37/83/86/176378386.db2.gz GFNDAEOGPGMGDF-YPMHNXCESA-N 2 1 221.348 1.597 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000336737175 176694154 /nfs/dbraw/zinc/69/41/54/176694154.db2.gz JFCUVJCDLZKWNK-WUHRBBMRSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336682270 177002499 /nfs/dbraw/zinc/00/24/99/177002499.db2.gz DCSVBYNZANCCEL-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000305823743 177008982 /nfs/dbraw/zinc/00/89/82/177008982.db2.gz RRZVZBUWHLZVDN-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000305823743 177008983 /nfs/dbraw/zinc/00/89/83/177008983.db2.gz RRZVZBUWHLZVDN-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000305823743 177008986 /nfs/dbraw/zinc/00/89/86/177008986.db2.gz RRZVZBUWHLZVDN-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000328157912 177128305 /nfs/dbraw/zinc/12/83/05/177128305.db2.gz HGALIYHYRKALJA-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000359614572 177233578 /nfs/dbraw/zinc/23/35/78/177233578.db2.gz BHQYLRYRRSOQRP-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000309803733 177234286 /nfs/dbraw/zinc/23/42/86/177234286.db2.gz RQTITTXLHOGSLX-YWPUVAFDSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251672308 177253903 /nfs/dbraw/zinc/25/39/03/177253903.db2.gz LRWULZNGZSAONH-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1CC[NH2+]C(C)(C)C ZINC000251600840 177280015 /nfs/dbraw/zinc/28/00/15/177280015.db2.gz DCJDWBJJPLJOTI-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223223508 177301652 /nfs/dbraw/zinc/30/16/52/177301652.db2.gz ONCCOLGQBLIQFL-WDEREUQCSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000303252844 177312057 /nfs/dbraw/zinc/31/20/57/177312057.db2.gz CCHHICYQEBFFCK-AOOOYVTPSA-N 2 1 226.368 1.226 20 0 BDADMP C[C@H](CO)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000678043913 487637859 /nfs/dbraw/zinc/63/78/59/487637859.db2.gz JDEMJAHIDCQLAO-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000678043913 487637864 /nfs/dbraw/zinc/63/78/64/487637864.db2.gz JDEMJAHIDCQLAO-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000678043913 487637871 /nfs/dbraw/zinc/63/78/71/487637871.db2.gz JDEMJAHIDCQLAO-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000678043913 487637877 /nfs/dbraw/zinc/63/78/77/487637877.db2.gz JDEMJAHIDCQLAO-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCCOCC2)CC[NH2+]1 ZINC000235698967 177324721 /nfs/dbraw/zinc/32/47/21/177324721.db2.gz LABWZZZYTRIHGJ-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H](CO)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000678043913 487637883 /nfs/dbraw/zinc/63/78/83/487637883.db2.gz JDEMJAHIDCQLAO-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(C)(C)O ZINC000336680917 177331426 /nfs/dbraw/zinc/33/14/26/177331426.db2.gz XVHATPDBINZPTJ-GRYCIOLGSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2nccn2C)CC[NH2+]1 ZINC000235660341 177361035 /nfs/dbraw/zinc/36/10/35/177361035.db2.gz RRYWZNJHCXTATK-NWDGAFQWSA-N 2 1 236.363 1.240 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccnc1 ZINC000122328973 177361136 /nfs/dbraw/zinc/36/11/36/177361136.db2.gz SDQQBWIEYVEAPQ-CMPLNLGQSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])CN1c1cc[nH+]cc1Cl ZINC000127002979 177362088 /nfs/dbraw/zinc/36/20/88/177362088.db2.gz MTGCRJVWUFFLBP-DTWKUNHWSA-N 2 1 225.723 1.909 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccncc1 ZINC000049712474 177364142 /nfs/dbraw/zinc/36/41/42/177364142.db2.gz AWBURCZOPHUUGQ-CMPLNLGQSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccncc1 ZINC000049712474 177364144 /nfs/dbraw/zinc/36/41/44/177364144.db2.gz AWBURCZOPHUUGQ-CMPLNLGQSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H]1C[C@H](N(C)Cc2ccncc2)CC[N@H+]1C ZINC000177059537 177364621 /nfs/dbraw/zinc/36/46/21/177364621.db2.gz BDUPTCVCHYHBDH-GXTWGEPZSA-N 2 1 233.359 1.996 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCC(CO)CC2)CC[N@@H+]1C ZINC000361980206 177369043 /nfs/dbraw/zinc/36/90/43/177369043.db2.gz IFSAETZKOXPFIQ-GFJIZPEISA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCC(CO)CC2)CC[N@H+]1C ZINC000361980206 177369044 /nfs/dbraw/zinc/36/90/44/177369044.db2.gz IFSAETZKOXPFIQ-GFJIZPEISA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000307082268 177395233 /nfs/dbraw/zinc/39/52/33/177395233.db2.gz HKAGCSRXNXVDMN-KOLCDFICSA-N 2 1 214.378 1.612 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000400389325 225143025 /nfs/dbraw/zinc/14/30/25/225143025.db2.gz MUHLFBQSLPFIDS-QJPTWQEYSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cncc(F)c1 ZINC000401662365 225211611 /nfs/dbraw/zinc/21/16/11/225211611.db2.gz YMUDGWWNOPXYKG-SNVBAGLBSA-N 2 1 248.305 1.848 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000492911315 226080876 /nfs/dbraw/zinc/08/08/76/226080876.db2.gz IRRZQBMKMLJRHC-STQMWFEESA-N 2 1 237.347 1.332 20 0 BDADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400396365 226342695 /nfs/dbraw/zinc/34/26/95/226342695.db2.gz JLSOLFZDXKOLLH-USWWRNFRSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H]([NH2+][C@H]1COCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000400433586 226343248 /nfs/dbraw/zinc/34/32/48/226343248.db2.gz LXRSYUCZHXQGFZ-AXFHLTTASA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H]([NH2+][C@@H]1COCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400433588 226343554 /nfs/dbraw/zinc/34/35/54/226343554.db2.gz LXRSYUCZHXQGFZ-GARJFASQSA-N 2 1 212.337 1.142 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225877951 487650293 /nfs/dbraw/zinc/65/02/93/487650293.db2.gz NZGKLXVHEHVFJR-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1CCCc1c[nH+]cn1C ZINC000314990736 487669075 /nfs/dbraw/zinc/66/90/75/487669075.db2.gz YVQCSTQPBFSYRX-NWDGAFQWSA-N 2 1 236.363 1.035 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000314961866 487669239 /nfs/dbraw/zinc/66/92/39/487669239.db2.gz VMINSILHOCEJIC-GXTWGEPZSA-N 2 1 248.374 1.037 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000395000930 262759234 /nfs/dbraw/zinc/75/92/34/262759234.db2.gz JKJVSJYIESRHFE-DGAVXFQQSA-N 2 1 242.407 1.977 20 0 BDADMP Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000062053007 229150179 /nfs/dbraw/zinc/15/01/79/229150179.db2.gz PTLSXKSDWHQYQS-UHFFFAOYSA-N 2 1 233.359 1.966 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000166408338 229173426 /nfs/dbraw/zinc/17/34/26/229173426.db2.gz PVBWHNOASZPOFQ-SGMGOOAPSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000166408338 229173430 /nfs/dbraw/zinc/17/34/30/229173430.db2.gz PVBWHNOASZPOFQ-SGMGOOAPSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000222999295 487749214 /nfs/dbraw/zinc/74/92/14/487749214.db2.gz VHAOIEBUEBQWHF-MNOVXSKESA-N 2 1 205.305 1.423 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCC1CC1 ZINC000390557452 487756548 /nfs/dbraw/zinc/75/65/48/487756548.db2.gz IXTIQRWEWHPUAU-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCC1CC1 ZINC000390557452 487756552 /nfs/dbraw/zinc/75/65/52/487756552.db2.gz IXTIQRWEWHPUAU-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCC1CC1 ZINC000390557452 487756553 /nfs/dbraw/zinc/75/65/53/487756553.db2.gz IXTIQRWEWHPUAU-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000309242868 487806016 /nfs/dbraw/zinc/80/60/16/487806016.db2.gz LDYHAHBALMJDTE-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000309242868 487806019 /nfs/dbraw/zinc/80/60/19/487806019.db2.gz LDYHAHBALMJDTE-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000309242868 487806020 /nfs/dbraw/zinc/80/60/20/487806020.db2.gz LDYHAHBALMJDTE-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000309242870 487805875 /nfs/dbraw/zinc/80/58/75/487805875.db2.gz LDYHAHBALMJDTE-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000309242870 487805877 /nfs/dbraw/zinc/80/58/77/487805877.db2.gz LDYHAHBALMJDTE-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000309242870 487805881 /nfs/dbraw/zinc/80/58/81/487805881.db2.gz LDYHAHBALMJDTE-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[N@H+]([C@@H](C)COC)CC[C@@H]1[NH3+] ZINC000211212551 487806463 /nfs/dbraw/zinc/80/64/63/487806463.db2.gz KHFKDFUCOOHEBR-AXFHLTTASA-N 2 1 200.326 1.081 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309256100 487808612 /nfs/dbraw/zinc/80/86/12/487808612.db2.gz OGMNRBBAFKUGAK-QWHCGFSZSA-N 2 1 230.396 1.808 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309256100 487808617 /nfs/dbraw/zinc/80/86/17/487808617.db2.gz OGMNRBBAFKUGAK-QWHCGFSZSA-N 2 1 230.396 1.808 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309256100 487808620 /nfs/dbraw/zinc/80/86/20/487808620.db2.gz OGMNRBBAFKUGAK-QWHCGFSZSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414730741 487820226 /nfs/dbraw/zinc/82/02/26/487820226.db2.gz ARCGOHDXFDFHTQ-AWEZNQCLSA-N 2 1 247.386 1.936 20 0 BDADMP CC(C)(C)[C@@H]1CC[N@@H+](CCC[NH3+])C[C@H]1O ZINC000414755679 487821091 /nfs/dbraw/zinc/82/10/91/487821091.db2.gz ICYJUMAPIBTHMK-GHMZBOCLSA-N 2 1 214.353 1.064 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000414754087 487821257 /nfs/dbraw/zinc/82/12/57/487821257.db2.gz FQULRPDDKMETCV-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCC[NH3+])C1 ZINC000414748525 487821578 /nfs/dbraw/zinc/82/15/78/487821578.db2.gz WRDYGDWUMHDZGH-YPMHNXCESA-N 2 1 219.332 1.813 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1scnc1C1CC1 ZINC000414862675 487826256 /nfs/dbraw/zinc/82/62/56/487826256.db2.gz WDTGHYOKFUFHJA-UHFFFAOYSA-N 2 1 225.361 1.720 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000252682477 487828817 /nfs/dbraw/zinc/82/88/17/487828817.db2.gz CCSVXVCDJIGQOH-VWYCJHECSA-N 2 1 214.378 1.422 20 0 BDADMP CC1(C)C[N@@H+](Cc2cnc3n2CCC3)C[C@H]1O ZINC000668088754 487831731 /nfs/dbraw/zinc/83/17/31/487831731.db2.gz GJOGDXIGSLMTQV-LLVKDONJSA-N 2 1 235.331 1.032 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309429036 487844751 /nfs/dbraw/zinc/84/47/51/487844751.db2.gz FUFOIDBUOJGZKR-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](CCCO)C2CC2)CC[NH2+]1 ZINC000666640276 487848289 /nfs/dbraw/zinc/84/82/89/487848289.db2.gz RDZBRWVLQXNRSC-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000666638413 487849532 /nfs/dbraw/zinc/84/95/32/487849532.db2.gz LXZPYHRXDVZWRN-STQMWFEESA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](CCO)CC(C)(C)C ZINC000666639266 487849791 /nfs/dbraw/zinc/84/97/91/487849791.db2.gz WIOXMNLGSVIXMK-LBPRGKRZSA-N 2 1 230.396 1.700 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000379855762 487850225 /nfs/dbraw/zinc/85/02/25/487850225.db2.gz BZDFGLUQKGDQFI-NEPJUHHUSA-N 2 1 216.369 1.418 20 0 BDADMP CC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000379855762 487850229 /nfs/dbraw/zinc/85/02/29/487850229.db2.gz BZDFGLUQKGDQFI-NEPJUHHUSA-N 2 1 216.369 1.418 20 0 BDADMP CC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000379855762 487850233 /nfs/dbraw/zinc/85/02/33/487850233.db2.gz BZDFGLUQKGDQFI-NEPJUHHUSA-N 2 1 216.369 1.418 20 0 BDADMP [NH3+]CCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000666654501 487851744 /nfs/dbraw/zinc/85/17/44/487851744.db2.gz JZBHDUOYKUGNED-MRVPVSSYSA-N 2 1 208.252 1.039 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000666654501 487851751 /nfs/dbraw/zinc/85/17/51/487851751.db2.gz JZBHDUOYKUGNED-MRVPVSSYSA-N 2 1 208.252 1.039 20 0 BDADMP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCC[NH3+] ZINC000666654515 487852267 /nfs/dbraw/zinc/85/22/67/487852267.db2.gz LVDCRDHVOGZZBC-IUCAKERBSA-N 2 1 224.270 1.998 20 0 BDADMP CCc1nn(C)cc1C[NH2+]CC([NH3+])(CC)CC ZINC000666753726 487873099 /nfs/dbraw/zinc/87/30/99/487873099.db2.gz FQUKNMHIEUVVNG-UHFFFAOYSA-N 2 1 238.379 1.590 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(C[C@@H]3C[NH2+]CCO3)c2C[C@H]1C ZINC000386603933 487875217 /nfs/dbraw/zinc/87/52/17/487875217.db2.gz IPESMHNCIOCMSS-UTUOFQBUSA-N 2 1 249.358 1.242 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666826029 487886906 /nfs/dbraw/zinc/88/69/06/487886906.db2.gz ISCMQENMBIXOSM-VIFPVBQESA-N 2 1 236.294 1.158 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1nc2c(s1)CCC2 ZINC000666826303 487887269 /nfs/dbraw/zinc/88/72/69/487887269.db2.gz UYGGVQVDVIGNQS-QMMMGPOBSA-N 2 1 225.361 1.316 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000925484209 645921377 /nfs/dbraw/zinc/92/13/77/645921377.db2.gz CNACAGAIDYVXEK-ZETCQYMHSA-N 2 1 242.310 1.970 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403811194 487890609 /nfs/dbraw/zinc/89/06/09/487890609.db2.gz MLAVRWDJRJAZFQ-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403811194 487890616 /nfs/dbraw/zinc/89/06/16/487890616.db2.gz MLAVRWDJRJAZFQ-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)n1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000666855262 487890825 /nfs/dbraw/zinc/89/08/25/487890825.db2.gz HSJYNHWHMANESZ-CYBMUJFWSA-N 2 1 236.363 1.696 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403809734 487891539 /nfs/dbraw/zinc/89/15/39/487891539.db2.gz KJHULAXKYXSEMQ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CC1CCSCC1 ZINC000229261400 487899993 /nfs/dbraw/zinc/89/99/93/487899993.db2.gz DQGMJHKGGOTJIW-UHFFFAOYSA-N 2 1 239.388 1.924 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCCCC1 ZINC000652363555 487932628 /nfs/dbraw/zinc/93/26/28/487932628.db2.gz HRTWHSLEFLLWTE-AWEZNQCLSA-N 2 1 239.407 1.404 20 0 BDADMP CN(CC[C@@H]1CC[NH2+]C1)CC[NH+]1CCCCC1 ZINC000652363555 487932630 /nfs/dbraw/zinc/93/26/30/487932630.db2.gz HRTWHSLEFLLWTE-AWEZNQCLSA-N 2 1 239.407 1.404 20 0 BDADMP Cc1cc(CNC[C@H]2C[NH2+]CCO2)c(C)s1 ZINC000667036164 487933065 /nfs/dbraw/zinc/93/30/65/487933065.db2.gz JUJOZJXLRHHBID-GFCCVEGCSA-N 2 1 240.372 1.443 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cncnc2C)C1 ZINC000566475517 323000230 /nfs/dbraw/zinc/00/02/30/323000230.db2.gz MFIXYQSGOZPBSS-DGCLKSJQSA-N 2 1 248.374 1.777 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cncnc2C)C1 ZINC000566475517 323000231 /nfs/dbraw/zinc/00/02/31/323000231.db2.gz MFIXYQSGOZPBSS-DGCLKSJQSA-N 2 1 248.374 1.777 20 0 BDADMP C[NH2+]CCSCC[C@@H]1CCC[N@H+]1C ZINC000570276957 323054701 /nfs/dbraw/zinc/05/47/01/323054701.db2.gz QWEFLFZAPHFWIW-JTQLQIEISA-N 2 1 202.367 1.423 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000570422909 323059109 /nfs/dbraw/zinc/05/91/09/323059109.db2.gz JJVPIOGTQNBZKW-VXGBXAGGSA-N 2 1 244.342 1.698 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000570739980 323069153 /nfs/dbraw/zinc/06/91/53/323069153.db2.gz XIIGTSLJJOXZOQ-MVWJERBFSA-N 2 1 236.363 1.509 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000570802241 323070775 /nfs/dbraw/zinc/07/07/75/323070775.db2.gz BKVQMOAXQBZUOM-CABCVRRESA-N 3 1 247.386 1.895 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000563153887 323096004 /nfs/dbraw/zinc/09/60/04/323096004.db2.gz GDFWRSRLPXMDLC-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP Cc1noc(CCC[NH2+][C@](C)(C[NH3+])C(C)C)n1 ZINC000563155340 323096044 /nfs/dbraw/zinc/09/60/44/323096044.db2.gz TXPICEZTNDPRIE-GFCCVEGCSA-N 2 1 240.351 1.274 20 0 BDADMP C[NH+](C)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000397903896 323100799 /nfs/dbraw/zinc/10/07/99/323100799.db2.gz WEKMFCLXONTNLH-STQMWFEESA-N 2 1 237.391 1.297 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000397903896 323100800 /nfs/dbraw/zinc/10/08/00/323100800.db2.gz WEKMFCLXONTNLH-STQMWFEESA-N 2 1 237.391 1.297 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000397903896 323100801 /nfs/dbraw/zinc/10/08/01/323100801.db2.gz WEKMFCLXONTNLH-STQMWFEESA-N 2 1 237.391 1.297 20 0 BDADMP Cc1noc([C@H](C)[N@H+](C)CC[C@H]2CC[NH2+]C2)n1 ZINC000563421845 323124078 /nfs/dbraw/zinc/12/40/78/323124078.db2.gz VIDIDTMGMJYSHG-GXSJLCMTSA-N 2 1 238.335 1.370 20 0 BDADMP Cc1noc([C@H](C)[N@@H+](C)CC[C@H]2CC[NH2+]C2)n1 ZINC000563421845 323124079 /nfs/dbraw/zinc/12/40/79/323124079.db2.gz VIDIDTMGMJYSHG-GXSJLCMTSA-N 2 1 238.335 1.370 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310343272 323130937 /nfs/dbraw/zinc/13/09/37/323130937.db2.gz FIEHVNFBLBETCX-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310343272 323130938 /nfs/dbraw/zinc/13/09/38/323130938.db2.gz FIEHVNFBLBETCX-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310427756 323131660 /nfs/dbraw/zinc/13/16/60/323131660.db2.gz RYZKLETVJQYVNK-OBJOEFQTSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310427756 323131661 /nfs/dbraw/zinc/13/16/61/323131661.db2.gz RYZKLETVJQYVNK-OBJOEFQTSA-N 2 1 242.407 1.856 20 0 BDADMP C(C[NH2+][C@@H]1CCOC2(CCC2)C1)C[NH+]1CCC1 ZINC000563639029 323133363 /nfs/dbraw/zinc/13/33/63/323133363.db2.gz WTRLOHPVMHFIBF-CYBMUJFWSA-N 2 1 238.375 1.774 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC(C)C)CC(C)C ZINC000310567391 323133439 /nfs/dbraw/zinc/13/34/39/323133439.db2.gz YCUXYINJYYGYDT-CQSZACIVSA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)C)CC(C)C ZINC000310567391 323133440 /nfs/dbraw/zinc/13/34/40/323133440.db2.gz YCUXYINJYYGYDT-CQSZACIVSA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H](C)C1 ZINC000571222325 323138385 /nfs/dbraw/zinc/13/83/85/323138385.db2.gz JXEWARLQVGCITQ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H](C)C1 ZINC000571222325 323138386 /nfs/dbraw/zinc/13/83/86/323138386.db2.gz JXEWARLQVGCITQ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000571222325 323138387 /nfs/dbraw/zinc/13/83/87/323138387.db2.gz JXEWARLQVGCITQ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000571222325 323138388 /nfs/dbraw/zinc/13/83/88/323138388.db2.gz JXEWARLQVGCITQ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000535034729 323164216 /nfs/dbraw/zinc/16/42/16/323164216.db2.gz IYMILHFVEQFJQK-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1cnccc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000304571661 323164283 /nfs/dbraw/zinc/16/42/83/323164283.db2.gz MSVHYSBFYWFIHQ-ZDUSSCGKSA-N 2 1 221.348 1.853 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CC2)CC[N@@H+]1C ZINC000306635153 323172889 /nfs/dbraw/zinc/17/28/89/323172889.db2.gz YLXNKDSAIURQTR-ZJUUUORDSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CC2)CC[N@H+]1C ZINC000306635153 323172890 /nfs/dbraw/zinc/17/28/90/323172890.db2.gz YLXNKDSAIURQTR-ZJUUUORDSA-N 2 1 200.301 1.561 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000395158490 323189407 /nfs/dbraw/zinc/18/94/07/323189407.db2.gz MRQMNAQRAACVMK-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000395403023 323224894 /nfs/dbraw/zinc/22/48/94/323224894.db2.gz HQHWJNINLQXSGT-ZDUSSCGKSA-N 2 1 240.391 1.562 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000395403023 323224897 /nfs/dbraw/zinc/22/48/97/323224897.db2.gz HQHWJNINLQXSGT-ZDUSSCGKSA-N 2 1 240.391 1.562 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC(C)(C)C1)C1CC1 ZINC000395403023 323224900 /nfs/dbraw/zinc/22/49/00/323224900.db2.gz HQHWJNINLQXSGT-ZDUSSCGKSA-N 2 1 240.391 1.562 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC(C)(C)C1)C1CC1 ZINC000395403023 323224902 /nfs/dbraw/zinc/22/49/02/323224902.db2.gz HQHWJNINLQXSGT-ZDUSSCGKSA-N 2 1 240.391 1.562 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000070836795 323314856 /nfs/dbraw/zinc/31/48/56/323314856.db2.gz IPQUKJLLAYHHKJ-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000070836795 323314859 /nfs/dbraw/zinc/31/48/59/323314859.db2.gz IPQUKJLLAYHHKJ-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CCC1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000309214834 323329039 /nfs/dbraw/zinc/32/90/39/323329039.db2.gz FHUQSSPYJBOIPW-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000563953327 323333730 /nfs/dbraw/zinc/33/37/30/323333730.db2.gz HZWMOYMZHYJXDT-ZDUSSCGKSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC000563953327 323333734 /nfs/dbraw/zinc/33/37/34/323333734.db2.gz HZWMOYMZHYJXDT-ZDUSSCGKSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000396623824 323393778 /nfs/dbraw/zinc/39/37/78/323393778.db2.gz VTPQKXJLKTUOBF-VOAKCMCISA-N 2 1 225.380 1.057 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCO)[C@H](C)C1 ZINC000122885430 324057725 /nfs/dbraw/zinc/05/77/25/324057725.db2.gz HCNHUGKKHGTDTL-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000123101249 324081275 /nfs/dbraw/zinc/08/12/75/324081275.db2.gz LGDOUWKRTWYOQH-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(F)cn1 ZINC000529538803 324330946 /nfs/dbraw/zinc/33/09/46/324330946.db2.gz RYCATMUQLJSHQL-UHFFFAOYSA-N 2 1 234.278 1.515 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215660 324531453 /nfs/dbraw/zinc/53/14/53/324531453.db2.gz HQGYWWUICFXHNW-YPMHNXCESA-N 2 1 246.358 1.282 20 0 BDADMP Cc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530221281 324538927 /nfs/dbraw/zinc/53/89/27/324538927.db2.gz OUFYPWBEZISUAA-PBWFPOADSA-N 2 1 231.343 1.763 20 0 BDADMP CCOCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860587 325317889 /nfs/dbraw/zinc/31/78/89/325317889.db2.gz AUMHFWHZKNDVKZ-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860587 325317890 /nfs/dbraw/zinc/31/78/90/325317890.db2.gz AUMHFWHZKNDVKZ-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860587 325317893 /nfs/dbraw/zinc/31/78/93/325317893.db2.gz AUMHFWHZKNDVKZ-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860587 325317894 /nfs/dbraw/zinc/31/78/94/325317894.db2.gz AUMHFWHZKNDVKZ-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000549037513 325495110 /nfs/dbraw/zinc/49/51/10/325495110.db2.gz IEHZRQOJBIEOOU-NWDGAFQWSA-N 2 1 237.347 1.331 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)co1 ZINC000310384105 487969536 /nfs/dbraw/zinc/96/95/36/487969536.db2.gz DDLKCJAMMOVGCI-WCFLWFBJSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)co1 ZINC000310384105 487969538 /nfs/dbraw/zinc/96/95/38/487969538.db2.gz DDLKCJAMMOVGCI-WCFLWFBJSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000566229872 326019125 /nfs/dbraw/zinc/01/91/25/326019125.db2.gz QSQAAPSRKBAXPC-HTVCTNPSSA-N 3 1 239.407 1.623 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566689808 326075128 /nfs/dbraw/zinc/07/51/28/326075128.db2.gz VKEDBPZXVWWSSW-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCN(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566689808 326075130 /nfs/dbraw/zinc/07/51/30/326075130.db2.gz VKEDBPZXVWWSSW-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566738677 326078384 /nfs/dbraw/zinc/07/83/84/326078384.db2.gz GZHQZYLKHGYFCZ-BJDJZHNGSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ncc[nH]1 ZINC000567049475 326107000 /nfs/dbraw/zinc/10/70/00/326107000.db2.gz XDHZWMAPWQQPCF-JTQLQIEISA-N 2 1 230.315 1.719 20 0 BDADMP CC[C@@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154513722 326147989 /nfs/dbraw/zinc/14/79/89/326147989.db2.gz JEXRTBOQFYXLRM-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000567375503 326177920 /nfs/dbraw/zinc/17/79/20/326177920.db2.gz IIQAYCRZOGLSRB-NXEZZACHSA-N 2 1 247.342 1.569 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCC[C@@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752459 326255425 /nfs/dbraw/zinc/25/54/25/326255425.db2.gz LHSAVWLWUDBZIY-FVCCEPFGSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[C@@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752459 326255427 /nfs/dbraw/zinc/25/54/27/326255427.db2.gz LHSAVWLWUDBZIY-FVCCEPFGSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCC[C@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752460 326255467 /nfs/dbraw/zinc/25/54/67/326255467.db2.gz LHSAVWLWUDBZIY-MROQNXINSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[C@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752460 326255469 /nfs/dbraw/zinc/25/54/69/326255469.db2.gz LHSAVWLWUDBZIY-MROQNXINSA-N 3 1 225.380 1.173 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](CCO)C1CCC1 ZINC000315170426 326316151 /nfs/dbraw/zinc/31/61/51/326316151.db2.gz ZPLYITROKXULNO-UHFFFAOYSA-N 2 1 237.347 1.200 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)C1CCC1 ZINC000315170426 326316153 /nfs/dbraw/zinc/31/61/53/326316153.db2.gz ZPLYITROKXULNO-UHFFFAOYSA-N 2 1 237.347 1.200 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H]1CCOC1 ZINC000568164168 326316943 /nfs/dbraw/zinc/31/69/43/326316943.db2.gz LHYHHWMXNWMOEN-LBPRGKRZSA-N 2 1 237.347 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000568164168 326316946 /nfs/dbraw/zinc/31/69/46/326316946.db2.gz LHYHHWMXNWMOEN-LBPRGKRZSA-N 2 1 237.347 1.321 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000568261430 326336834 /nfs/dbraw/zinc/33/68/34/326336834.db2.gz UMEMEEMSPWFOBP-CHWSQXEVSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C1CC1 ZINC000568261430 326336835 /nfs/dbraw/zinc/33/68/35/326336835.db2.gz UMEMEEMSPWFOBP-CHWSQXEVSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000568261430 326336837 /nfs/dbraw/zinc/33/68/37/326336837.db2.gz UMEMEEMSPWFOBP-CHWSQXEVSA-N 2 1 226.364 1.172 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(C)C)C1 ZINC000568649543 326369262 /nfs/dbraw/zinc/36/92/62/326369262.db2.gz MPBIDPHNJBGXRA-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000568649543 326369264 /nfs/dbraw/zinc/36/92/64/326369264.db2.gz MPBIDPHNJBGXRA-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC000568649543 326369265 /nfs/dbraw/zinc/36/92/65/326369265.db2.gz MPBIDPHNJBGXRA-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CN(CCC[NH3+])C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000158794040 487976032 /nfs/dbraw/zinc/97/60/32/487976032.db2.gz HZDMYRSSOQBTOJ-ZDUSSCGKSA-N 2 1 249.358 1.097 20 0 BDADMP CN(CCC[NH3+])C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000158794179 487976109 /nfs/dbraw/zinc/97/61/09/487976109.db2.gz HZDMYRSSOQBTOJ-CYBMUJFWSA-N 2 1 249.358 1.097 20 0 BDADMP OCC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000220371111 487980070 /nfs/dbraw/zinc/98/00/70/487980070.db2.gz MNAZKHIBMDCHRI-LBPRGKRZSA-N 2 1 226.364 1.080 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659924786 488001811 /nfs/dbraw/zinc/00/18/11/488001811.db2.gz GOUXQGUCZGWAEN-FQUUOJAGSA-N 2 1 222.376 1.916 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cncs2)C1 ZINC000235709407 488010568 /nfs/dbraw/zinc/01/05/68/488010568.db2.gz CMIQYVXGIQEFNV-SNVBAGLBSA-N 2 1 211.334 1.314 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cncs2)C1 ZINC000235709407 488010573 /nfs/dbraw/zinc/01/05/73/488010573.db2.gz CMIQYVXGIQEFNV-SNVBAGLBSA-N 2 1 211.334 1.314 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147449588 488024348 /nfs/dbraw/zinc/02/43/48/488024348.db2.gz YPIQQQOWGFMRJP-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000388608805 488049754 /nfs/dbraw/zinc/04/97/54/488049754.db2.gz XBHSNMJBVILWJH-MCIONIFRSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)=CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655760454 488063244 /nfs/dbraw/zinc/06/32/44/488063244.db2.gz QHYIBEXUBRSKIV-CQSZACIVSA-N 2 1 238.375 1.796 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H]3COCC[C@H]32)n1C ZINC000667695031 488090530 /nfs/dbraw/zinc/09/05/30/488090530.db2.gz HLPCBPGHOHEJSD-GXTWGEPZSA-N 2 1 249.358 1.729 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cncs2)CC[C@@H]1[NH3+] ZINC000166666596 488100595 /nfs/dbraw/zinc/10/05/95/488100595.db2.gz WFGZCOWZZKZNOI-ONGXEEELSA-N 2 1 225.361 1.702 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cncs2)CC[C@@H]1[NH3+] ZINC000166666596 488100600 /nfs/dbraw/zinc/10/06/00/488100600.db2.gz WFGZCOWZZKZNOI-ONGXEEELSA-N 2 1 225.361 1.702 20 0 BDADMP CCC[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000389715082 488108698 /nfs/dbraw/zinc/10/86/98/488108698.db2.gz GFTCVLJAUVTYNZ-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH3+] ZINC000166371824 488133157 /nfs/dbraw/zinc/13/31/57/488133157.db2.gz MEUXJKOCCJVNPM-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000168876307 487549328 /nfs/dbraw/zinc/54/93/28/487549328.db2.gz LZTDHYPPNCAICU-WDEREUQCSA-N 2 1 236.363 1.152 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@H](O)CC[C@H]2C)n1C ZINC000668245118 487549543 /nfs/dbraw/zinc/54/95/43/487549543.db2.gz UDYNYVVLTDILKX-BXKDBHETSA-N 2 1 223.320 1.074 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662236613 487470788 /nfs/dbraw/zinc/47/07/88/487470788.db2.gz FYSLKODCUGLFAO-WDEREUQCSA-N 2 1 248.317 1.342 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662236613 487470790 /nfs/dbraw/zinc/47/07/90/487470790.db2.gz FYSLKODCUGLFAO-WDEREUQCSA-N 2 1 248.317 1.342 20 0 BDADMP CCCn1nccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000310267296 487489811 /nfs/dbraw/zinc/48/98/11/487489811.db2.gz RVTCEOYBGYTKJY-GFCCVEGCSA-N 2 1 238.379 1.580 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000399987480 487498824 /nfs/dbraw/zinc/49/88/24/487498824.db2.gz CYNUDQSWNUAYJE-KBPBESRZSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000399987480 487498831 /nfs/dbraw/zinc/49/88/31/487498831.db2.gz CYNUDQSWNUAYJE-KBPBESRZSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000399987480 487498834 /nfs/dbraw/zinc/49/88/34/487498834.db2.gz CYNUDQSWNUAYJE-KBPBESRZSA-N 2 1 240.391 1.419 20 0 BDADMP c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)nc1 ZINC000094077331 487513486 /nfs/dbraw/zinc/51/34/86/487513486.db2.gz RMDUHARHQJKZOQ-ZDUSSCGKSA-N 2 1 246.358 1.002 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CCC1 ZINC000662271761 487518896 /nfs/dbraw/zinc/51/88/96/487518896.db2.gz ISJAJKYTCUGDNY-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000657562276 488134817 /nfs/dbraw/zinc/13/48/17/488134817.db2.gz MCZMNQSWRRKIGS-NSHDSACASA-N 2 1 236.363 1.383 20 0 BDADMP C[C@H](O)C1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000668701081 488135576 /nfs/dbraw/zinc/13/55/76/488135576.db2.gz NXYWVDVZZBUNFN-JTQLQIEISA-N 2 1 224.348 1.116 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000657862553 488155874 /nfs/dbraw/zinc/15/58/74/488155874.db2.gz FHUITTAAXVYXPU-GFCCVEGCSA-N 2 1 245.330 1.513 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1ccnn1C ZINC000230775503 488156661 /nfs/dbraw/zinc/15/66/61/488156661.db2.gz MNQRXEJHLNDSML-ZDUSSCGKSA-N 2 1 238.379 1.268 20 0 BDADMP C[NH2+]CCC[N@H+]1Cc2ccccc2N(C)C[C@H]1C ZINC000435878876 488186061 /nfs/dbraw/zinc/18/60/61/488186061.db2.gz HAMOYOUDAMJFAS-CYBMUJFWSA-N 2 1 247.386 1.936 20 0 BDADMP Cc1[nH+]cc(CN2CC[NH+]3CCC2CC3)n1C ZINC000668162804 488211632 /nfs/dbraw/zinc/21/16/32/488211632.db2.gz IVBBLMRQVMWMDZ-UHFFFAOYSA-N 2 1 234.347 1.009 20 0 BDADMP C[C@H]1CN(CCCc2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000314622111 490092199 /nfs/dbraw/zinc/09/21/99/490092199.db2.gz BRSKQAFDHVTPDV-RYUDHWBXSA-N 2 1 236.363 1.035 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401013327 490181040 /nfs/dbraw/zinc/18/10/40/490181040.db2.gz STTRZOQNWYCCHO-OUCADQQQSA-N 3 1 237.391 1.058 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383723844 490200292 /nfs/dbraw/zinc/20/02/92/490200292.db2.gz YVWFAUSKVNIABO-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396721989 490220419 /nfs/dbraw/zinc/22/04/19/490220419.db2.gz WNZVTHGMNSXTOY-WDEREUQCSA-N 2 1 214.353 1.389 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527265 490223737 /nfs/dbraw/zinc/22/37/37/490223737.db2.gz ZECZUUBFWUMMCW-UPJWGTAASA-N 2 1 238.375 1.029 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527265 490223741 /nfs/dbraw/zinc/22/37/41/490223741.db2.gz ZECZUUBFWUMMCW-UPJWGTAASA-N 2 1 238.375 1.029 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527265 490223745 /nfs/dbraw/zinc/22/37/45/490223745.db2.gz ZECZUUBFWUMMCW-UPJWGTAASA-N 2 1 238.375 1.029 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)[C@@H]1CCCO1 ZINC000631890730 490289344 /nfs/dbraw/zinc/28/93/44/490289344.db2.gz SLVPTSZWCUCCPL-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)[C@@H]1CCCO1 ZINC000631890730 490289348 /nfs/dbraw/zinc/28/93/48/490289348.db2.gz SLVPTSZWCUCCPL-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401893117 490588970 /nfs/dbraw/zinc/58/89/70/490588970.db2.gz YYTTZYMDOGDOJG-DGCLKSJQSA-N 2 1 237.347 1.510 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000387967034 491058634 /nfs/dbraw/zinc/05/86/34/491058634.db2.gz FEGQKIBHYAJQLM-NDBYEHHHSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C[C@@H]1C ZINC000414982967 491115768 /nfs/dbraw/zinc/11/57/68/491115768.db2.gz ZOQGQPBEQUMPGM-ZOBORPQBSA-N 2 1 239.407 1.304 20 0 BDADMP Cc1ncccc1C[N@@H+](C)[C@@H]1CN2CCC1CC2 ZINC000639397704 491123617 /nfs/dbraw/zinc/12/36/17/491123617.db2.gz NTPLKXVGOHCCBK-OAHLLOKOSA-N 2 1 245.370 1.916 20 0 BDADMP Cc1ncccc1C[N@H+](C)[C@@H]1CN2CCC1CC2 ZINC000639397704 491123618 /nfs/dbraw/zinc/12/36/18/491123618.db2.gz NTPLKXVGOHCCBK-OAHLLOKOSA-N 2 1 245.370 1.916 20 0 BDADMP C[N@H+](Cc1cncnc1)CC1CC[NH+](C)CC1 ZINC000132203192 491134676 /nfs/dbraw/zinc/13/46/76/491134676.db2.gz XHERXUPBHAYNJL-UHFFFAOYSA-N 2 1 234.347 1.250 20 0 BDADMP CC[C@]1([NH2+]CCn2cc[nH+]c2C)CCOC1 ZINC000309705270 491155375 /nfs/dbraw/zinc/15/53/75/491155375.db2.gz OEHVRMZOIQEHRL-LBPRGKRZSA-N 2 1 223.320 1.350 20 0 BDADMP COc1cccc(C[N@H+](C)CCC[NH3+])c1OC ZINC000133721122 491159945 /nfs/dbraw/zinc/15/99/45/491159945.db2.gz DCERONRITBYXNU-UHFFFAOYSA-N 2 1 238.331 1.484 20 0 BDADMP COc1cccc(C[N@@H+](C)CCC[NH3+])c1OC ZINC000133721122 491159946 /nfs/dbraw/zinc/15/99/46/491159946.db2.gz DCERONRITBYXNU-UHFFFAOYSA-N 2 1 238.331 1.484 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000310122019 491160441 /nfs/dbraw/zinc/16/04/41/491160441.db2.gz BTTCCSJWMOQPMA-CHWSQXEVSA-N 2 1 237.347 1.739 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])CC1 ZINC001172767179 974936048 /nfs/dbraw/zinc/93/60/48/974936048.db2.gz XMRZWMSHYQKKIB-GHMZBOCLSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H](NCC[N@@H+](C)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400754882 533854895 /nfs/dbraw/zinc/85/48/95/533854895.db2.gz WRNTZSLFVBYTOQ-GXTWGEPZSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]([NH2+]CCOCC1CC1)[C@H]1CCC[NH2+]1 ZINC000400502385 533860266 /nfs/dbraw/zinc/86/02/66/533860266.db2.gz IWIDMVNSZDVWHI-CMPLNLGQSA-N 2 1 212.337 1.143 20 0 BDADMP CCc1nc(N2C[C@H]([NH3+])[C@@H](C)C2)cc(C)[nH+]1 ZINC000261589615 536127022 /nfs/dbraw/zinc/12/70/22/536127022.db2.gz TYNMCISZXIVLKF-WPRPVWTQSA-N 2 1 220.320 1.131 20 0 BDADMP CC(C)(C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257680727 534605239 /nfs/dbraw/zinc/60/52/39/534605239.db2.gz GXOVKIPWUKIJEY-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000238851043 525729269 /nfs/dbraw/zinc/72/92/69/525729269.db2.gz DUQNWNUTORGVJR-FIQHERPVSA-N 2 1 214.353 1.076 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000348318518 536481583 /nfs/dbraw/zinc/48/15/83/536481583.db2.gz XWYBJCREZPIZOX-SCRDCRAPSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000348318518 536481585 /nfs/dbraw/zinc/48/15/85/536481585.db2.gz XWYBJCREZPIZOX-SCRDCRAPSA-N 2 1 240.391 1.467 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261545468 536521945 /nfs/dbraw/zinc/52/19/45/536521945.db2.gz KBKSTSGYUIXRSP-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CCC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000400768820 528155742 /nfs/dbraw/zinc/15/57/42/528155742.db2.gz ZRPYUKRVAWMCPF-IJLUTSLNSA-N 2 1 214.353 1.532 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400514696 528485341 /nfs/dbraw/zinc/48/53/41/528485341.db2.gz MOQPCNCGCHIYKC-TUAOUCFPSA-N 2 1 214.353 1.268 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400721422 528512611 /nfs/dbraw/zinc/51/26/11/528512611.db2.gz OPQZJLAHFPCJKX-WCQYABFASA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@@H+](CCN[C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400721421 528517458 /nfs/dbraw/zinc/51/74/58/528517458.db2.gz OPQZJLAHFPCJKX-DGCLKSJQSA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000221918245 535003340 /nfs/dbraw/zinc/00/33/40/535003340.db2.gz JJEVODCNMPLMKO-LBPRGKRZSA-N 2 1 238.379 1.801 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000221918245 535003344 /nfs/dbraw/zinc/00/33/44/535003344.db2.gz JJEVODCNMPLMKO-LBPRGKRZSA-N 2 1 238.379 1.801 20 0 BDADMP CC[NH+](CC)Cc1nc(C[C@@H](C)[NH2+]C)no1 ZINC000261907352 535613745 /nfs/dbraw/zinc/61/37/45/535613745.db2.gz ZFJVKIVYIOLZCC-SECBINFHSA-N 2 1 226.324 1.062 20 0 BDADMP CCC[C@]1(CO)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261811346 535767351 /nfs/dbraw/zinc/76/73/51/535767351.db2.gz HRIHHOKRPPIRET-UONOGXRCSA-N 2 1 240.391 1.613 20 0 BDADMP CC[N@@H+]1C[C@H](NCCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000343153627 535783831 /nfs/dbraw/zinc/78/38/31/535783831.db2.gz DOGZDUYSWFMMMR-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1C[C@H](NCCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000343153627 535783836 /nfs/dbraw/zinc/78/38/36/535783836.db2.gz DOGZDUYSWFMMMR-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1C[C@H](NCCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000343153627 535783839 /nfs/dbraw/zinc/78/38/39/535783839.db2.gz DOGZDUYSWFMMMR-KBPBESRZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249052762 535895399 /nfs/dbraw/zinc/89/53/99/535895399.db2.gz XUXIEZKAWCCLOE-WYTNZGFTSA-N 2 1 240.391 1.608 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000086874847 535955510 /nfs/dbraw/zinc/95/55/10/535955510.db2.gz UKHCWLQWQZGAKH-MNOVXSKESA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252724115 535995337 /nfs/dbraw/zinc/99/53/37/535995337.db2.gz WKXYHMTWPWFCEF-NOOOWODRSA-N 2 1 214.353 1.076 20 0 BDADMP CCc1nc(NCC[C@H]2CCC[NH2+]2)cc(C)[nH+]1 ZINC000261556746 536127039 /nfs/dbraw/zinc/12/70/39/536127039.db2.gz QYRUHXIHHVAILG-LLVKDONJSA-N 2 1 234.347 1.901 20 0 BDADMP C[N@@H+](CCC1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000258942761 536326208 /nfs/dbraw/zinc/32/62/08/536326208.db2.gz IATAZRYMMFJBQI-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000227497314 536343734 /nfs/dbraw/zinc/34/37/34/536343734.db2.gz BTFNZTFQZDGRHJ-UHFFFAOYSA-N 3 1 239.407 1.402 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000087793100 536344018 /nfs/dbraw/zinc/34/40/18/536344018.db2.gz HMJDBQWGFSKKLC-GFCCVEGCSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+][C@@H]1CCCN(CCCn2cc[nH+]c2C)C1 ZINC000348745394 536361340 /nfs/dbraw/zinc/36/13/40/536361340.db2.gz DLMAGTLOAHULNA-CYBMUJFWSA-N 2 1 236.363 1.265 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261776938 536361856 /nfs/dbraw/zinc/36/18/56/536361856.db2.gz OUCUSHHLQCLNCE-CYBMUJFWSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261776938 536361858 /nfs/dbraw/zinc/36/18/58/536361858.db2.gz OUCUSHHLQCLNCE-CYBMUJFWSA-N 3 1 225.380 1.060 20 0 BDADMP COCC[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000251275311 536767613 /nfs/dbraw/zinc/76/76/13/536767613.db2.gz CNELLXXHFDQRMY-NEPJUHHUSA-N 2 1 216.369 1.717 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086724590 536840535 /nfs/dbraw/zinc/84/05/35/536840535.db2.gz KNZQAIZLGSUONA-GFCCVEGCSA-N 2 1 220.316 1.189 20 0 BDADMP CCn1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000133530719 566434350 /nfs/dbraw/zinc/43/43/50/566434350.db2.gz JNBSJAQJTFMQND-CYBMUJFWSA-N 2 1 238.379 1.708 20 0 BDADMP CCn1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000133530719 566434356 /nfs/dbraw/zinc/43/43/56/566434356.db2.gz JNBSJAQJTFMQND-CYBMUJFWSA-N 2 1 238.379 1.708 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCC(=O)O2)CC1 ZINC000851984391 582989156 /nfs/dbraw/zinc/98/91/56/582989156.db2.gz CJTZUZLDFOVZTC-NWDGAFQWSA-N 2 1 240.347 1.108 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCC(=O)O2)CC1 ZINC000851984391 582989161 /nfs/dbraw/zinc/98/91/61/582989161.db2.gz CJTZUZLDFOVZTC-NWDGAFQWSA-N 2 1 240.347 1.108 20 0 BDADMP CC[NH+](CC)[C@H](C)CNc1nc(N)cc(C)[nH+]1 ZINC000891789170 582721136 /nfs/dbraw/zinc/72/11/36/582721136.db2.gz LPWZWXOPEYSGIV-SNVBAGLBSA-N 2 1 237.351 1.509 20 0 BDADMP Cc1cc(N)nc(NCC[N@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000891838037 582728280 /nfs/dbraw/zinc/72/82/80/582728280.db2.gz MYEXBLSZLFFYAT-JTQLQIEISA-N 2 1 249.362 1.511 20 0 BDADMP Cc1cc(N)nc(NCC[N@@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000891838037 582728281 /nfs/dbraw/zinc/72/82/81/582728281.db2.gz MYEXBLSZLFFYAT-JTQLQIEISA-N 2 1 249.362 1.511 20 0 BDADMP Cc1cc(N)nc(NCC[N@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000891838039 582729080 /nfs/dbraw/zinc/72/90/80/582729080.db2.gz MYEXBLSZLFFYAT-SNVBAGLBSA-N 2 1 249.362 1.511 20 0 BDADMP Cc1cc(N)nc(NCC[N@@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000891838039 582729081 /nfs/dbraw/zinc/72/90/81/582729081.db2.gz MYEXBLSZLFFYAT-SNVBAGLBSA-N 2 1 249.362 1.511 20 0 BDADMP C[N@H+](Cc1cc[nH]c(=O)c1)CC1CC[NH+](C)CC1 ZINC000891933295 582739719 /nfs/dbraw/zinc/73/97/19/582739719.db2.gz FJRYSXFPCGMAQU-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP COC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000319189525 582855443 /nfs/dbraw/zinc/85/54/43/582855443.db2.gz OKKQRPJSPUZYEU-BETUJISGSA-N 2 1 238.375 1.487 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892668842 582946501 /nfs/dbraw/zinc/94/65/01/582946501.db2.gz RIDFHIRHNXMKNE-WCQYABFASA-N 2 1 242.363 1.260 20 0 BDADMP CCc1onc(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000892756675 582976545 /nfs/dbraw/zinc/97/65/45/582976545.db2.gz FNSPNYXGQNBLNO-UHFFFAOYSA-N 2 1 248.330 1.840 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(F)cc1C ZINC000892760098 582977716 /nfs/dbraw/zinc/97/77/16/582977716.db2.gz VCMHUPALOXYBCU-UHFFFAOYSA-N 2 1 248.305 1.824 20 0 BDADMP CC[C@](C)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893323326 583100790 /nfs/dbraw/zinc/10/07/90/583100790.db2.gz BQOCKMNGLRVCTO-PSEXLTFBSA-N 2 1 226.364 1.362 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](O)C(C)C)C1 ZINC000878166778 583365348 /nfs/dbraw/zinc/36/53/48/583365348.db2.gz FNJGCUFGWSWBPQ-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](O)C(C)C)C1 ZINC000878166778 583365353 /nfs/dbraw/zinc/36/53/53/583365353.db2.gz FNJGCUFGWSWBPQ-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC000878166778 583365356 /nfs/dbraw/zinc/36/53/56/583365356.db2.gz FNJGCUFGWSWBPQ-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP COCC(C)(C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894591592 583490613 /nfs/dbraw/zinc/49/06/13/583490613.db2.gz OJGKAXIWFQCKHY-UHFFFAOYSA-N 2 1 228.380 1.685 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](F)C2)CC1 ZINC000895191620 583621722 /nfs/dbraw/zinc/62/17/22/583621722.db2.gz QOSSLVUZUYBOML-GFCCVEGCSA-N 2 1 214.328 1.762 20 0 BDADMP CC1=NO[C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000895302969 583644875 /nfs/dbraw/zinc/64/48/75/583644875.db2.gz XZGMUNKUIHBKGN-NWDGAFQWSA-N 2 1 239.363 1.614 20 0 BDADMP CC1=NO[C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000895302969 583644878 /nfs/dbraw/zinc/64/48/78/583644878.db2.gz XZGMUNKUIHBKGN-NWDGAFQWSA-N 2 1 239.363 1.614 20 0 BDADMP CC1=NO[C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000895302972 583645013 /nfs/dbraw/zinc/64/50/13/583645013.db2.gz XZGMUNKUIHBKGN-VXGBXAGGSA-N 2 1 239.363 1.614 20 0 BDADMP CC1=NO[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000895302972 583645016 /nfs/dbraw/zinc/64/50/16/583645016.db2.gz XZGMUNKUIHBKGN-VXGBXAGGSA-N 2 1 239.363 1.614 20 0 BDADMP C[N@@H+]1CC[C@@H]1CNc1cc(N)[nH+]cc1Cl ZINC000895767282 583720738 /nfs/dbraw/zinc/72/07/38/583720738.db2.gz KDQQANDDWYZTMR-SSDOTTSWSA-N 2 1 226.711 1.433 20 0 BDADMP C[N@H+]1CC[C@@H]1CNc1cc(N)[nH+]cc1Cl ZINC000895767282 583720740 /nfs/dbraw/zinc/72/07/40/583720740.db2.gz KDQQANDDWYZTMR-SSDOTTSWSA-N 2 1 226.711 1.433 20 0 BDADMP CCO[C@H](C[NH2+]CCC(C)(C)C)C[NH+](C)C ZINC000896880080 583844978 /nfs/dbraw/zinc/84/49/78/583844978.db2.gz MROVGTHSMVMQIK-GFCCVEGCSA-N 2 1 230.396 1.979 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNc1cc[nH+]c(CO)c1 ZINC000858348395 588947955 /nfs/dbraw/zinc/94/79/55/588947955.db2.gz AEFBZSVSRXVLOH-LBPRGKRZSA-N 2 1 249.358 1.860 20 0 BDADMP OCc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000858355833 588948413 /nfs/dbraw/zinc/94/84/13/588948413.db2.gz WNGXHJPZPGOEGY-TZMCWYRMSA-N 2 1 247.342 1.613 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1 ZINC000864452298 584005320 /nfs/dbraw/zinc/00/53/20/584005320.db2.gz MHKYVBLCXKCOFP-LLVKDONJSA-N 2 1 240.395 1.631 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000252465066 584011672 /nfs/dbraw/zinc/01/16/72/584011672.db2.gz UBMABSJWOXLOBW-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000252465066 584011675 /nfs/dbraw/zinc/01/16/75/584011675.db2.gz UBMABSJWOXLOBW-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCC[C@@H]3CCO3)C[C@]2(C)C1 ZINC000897620075 584032445 /nfs/dbraw/zinc/03/24/45/584032445.db2.gz GKNFWMBHCDDDMU-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCC[C@@H]3CCO3)C[C@]2(C)C1 ZINC000897620075 584032446 /nfs/dbraw/zinc/03/24/46/584032446.db2.gz GKNFWMBHCDDDMU-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCC[C@@H]3CCO3)C[C@]2(C)C1 ZINC000897620075 584032447 /nfs/dbraw/zinc/03/24/47/584032447.db2.gz GKNFWMBHCDDDMU-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CC(CCO)C2)CC1(C)C ZINC000898016256 584074799 /nfs/dbraw/zinc/07/47/99/584074799.db2.gz ZPFGJXDXOUUAGC-CPCZMJQVSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c(CO)c1 ZINC000858464599 588957437 /nfs/dbraw/zinc/95/74/37/588957437.db2.gz OYNLJEOSQMQPKE-WDEREUQCSA-N 2 1 235.331 1.103 20 0 BDADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c(CO)c2)C[C@H]1C ZINC000858462951 588957534 /nfs/dbraw/zinc/95/75/34/588957534.db2.gz ZHMSPMOFEILBCM-NEPJUHHUSA-N 2 1 249.358 1.493 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899264414 584188949 /nfs/dbraw/zinc/18/89/49/584188949.db2.gz FELYECUBGRNXBJ-MNOVXSKESA-N 2 1 240.395 1.629 20 0 BDADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899266371 584189504 /nfs/dbraw/zinc/18/95/04/584189504.db2.gz SLADHOODEUWXTK-QWRGUYRKSA-N 2 1 238.379 1.241 20 0 BDADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899266370 584189657 /nfs/dbraw/zinc/18/96/57/584189657.db2.gz SLADHOODEUWXTK-MNOVXSKESA-N 2 1 238.379 1.241 20 0 BDADMP [NH3+][C@@H]1CCCC[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000900017379 584267119 /nfs/dbraw/zinc/26/71/19/584267119.db2.gz FVMWNFTYRVKJRL-JGVFFNPUSA-N 2 1 222.292 1.002 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000858620498 588971310 /nfs/dbraw/zinc/97/13/10/588971310.db2.gz LIRFFURGGBFTRW-CYBMUJFWSA-N 2 1 249.358 1.859 20 0 BDADMP CCn1cnc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000902077593 584520808 /nfs/dbraw/zinc/52/08/08/584520808.db2.gz FNMOXCIDBODEIW-UHFFFAOYSA-N 2 1 247.346 1.588 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902316175 584555982 /nfs/dbraw/zinc/55/59/82/584555982.db2.gz FGLZAIZUCLTQHC-NWDGAFQWSA-N 2 1 227.396 1.304 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000902391989 584582721 /nfs/dbraw/zinc/58/27/21/584582721.db2.gz DIEZXMGGKOJEFZ-ZDUSSCGKSA-N 3 1 239.407 1.496 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000902443220 584598543 /nfs/dbraw/zinc/59/85/43/584598543.db2.gz KRRPVZKADAIPJR-QWHCGFSZSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCO1 ZINC000902474097 584602255 /nfs/dbraw/zinc/60/22/55/584602255.db2.gz CKMBSZPCKCFBOB-MJDLHHQISA-N 2 1 210.321 1.036 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)C1(C)C ZINC000902448946 584605571 /nfs/dbraw/zinc/60/55/71/584605571.db2.gz JUMTZIXOYFGJGN-QJPTWQEYSA-N 2 1 240.391 1.778 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000902448959 584605890 /nfs/dbraw/zinc/60/58/90/584605890.db2.gz KCZQUMPZARESTF-AVGNSLFASA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000902449424 584606211 /nfs/dbraw/zinc/60/62/11/584606211.db2.gz OGCIAGJQRPHTMO-GMTAPVOTSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000902454718 584608724 /nfs/dbraw/zinc/60/87/24/584608724.db2.gz TZEYRALDQBPEPX-NFIBXUFNSA-N 2 1 236.359 1.282 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000902455170 584609277 /nfs/dbraw/zinc/60/92/77/584609277.db2.gz KDPJOKLTQSSLAW-CHWSQXEVSA-N 2 1 239.407 1.435 20 0 BDADMP CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000902455170 584609280 /nfs/dbraw/zinc/60/92/80/584609280.db2.gz KDPJOKLTQSSLAW-CHWSQXEVSA-N 2 1 239.407 1.435 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000902460303 584611269 /nfs/dbraw/zinc/61/12/69/584611269.db2.gz GOTZEMSRVPKDNC-JQWIXIFHSA-N 2 1 222.336 1.027 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@H+]1C1CC1 ZINC000902465015 584613097 /nfs/dbraw/zinc/61/30/97/584613097.db2.gz FPECVYALCYHSLE-XBNNWQEZSA-N 2 1 235.375 1.094 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)C1CC[NH+](C)CC1 ZINC000902467236 584614601 /nfs/dbraw/zinc/61/46/01/584614601.db2.gz NWSJJXBUOQXJRJ-YXCITZCRSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC[NH+](C)CC1 ZINC000902467236 584614602 /nfs/dbraw/zinc/61/46/02/584614602.db2.gz NWSJJXBUOQXJRJ-YXCITZCRSA-N 2 1 237.391 1.199 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467263 584614769 /nfs/dbraw/zinc/61/47/69/584614769.db2.gz OJDNFQDPVKPDCE-WUHRBBMRSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482990 584624068 /nfs/dbraw/zinc/62/40/68/584624068.db2.gz OIXGLFLVBRRJOE-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902483565 584624941 /nfs/dbraw/zinc/62/49/41/584624941.db2.gz RROSGVJEKRYIII-NEPJUHHUSA-N 2 1 214.353 1.533 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902483566 584624958 /nfs/dbraw/zinc/62/49/58/584624958.db2.gz RROSGVJEKRYIII-NWDGAFQWSA-N 2 1 214.353 1.533 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H]2CCC[C@H]21 ZINC000902488672 584627735 /nfs/dbraw/zinc/62/77/35/584627735.db2.gz ZOAFSPGCDKGIIC-XGFWRYKXSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H]2CCC[C@H]21 ZINC000902488672 584627737 /nfs/dbraw/zinc/62/77/37/584627737.db2.gz ZOAFSPGCDKGIIC-XGFWRYKXSA-N 2 1 237.391 1.186 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000902514773 584629690 /nfs/dbraw/zinc/62/96/90/584629690.db2.gz PSMXGNQPCRQUBW-SNVBAGLBSA-N 2 1 244.342 1.340 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902516291 584630134 /nfs/dbraw/zinc/63/01/34/584630134.db2.gz CQVGQRJNUMWMBY-XYJRDEOASA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1c[nH+]ccc1N ZINC000902517097 584630217 /nfs/dbraw/zinc/63/02/17/584630217.db2.gz GZUZQBCZZMTDTE-WFBYXXMGSA-N 2 1 247.342 1.570 20 0 BDADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cnc1F ZINC000902572446 584636771 /nfs/dbraw/zinc/63/67/71/584636771.db2.gz VIIRZWYZYJLDFI-JTQLQIEISA-N 2 1 239.338 1.816 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC000019959653 584654869 /nfs/dbraw/zinc/65/48/69/584654869.db2.gz TZVQHGIYHKBLAT-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902953232 584704516 /nfs/dbraw/zinc/70/45/16/584704516.db2.gz BIPQVDZOTIZXQU-BZPMIXESSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902953232 584704517 /nfs/dbraw/zinc/70/45/17/584704517.db2.gz BIPQVDZOTIZXQU-BZPMIXESSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903091107 584725740 /nfs/dbraw/zinc/72/57/40/584725740.db2.gz NHXWBDDBPQOSBA-IKKMQULASA-N 2 1 249.402 1.438 20 0 BDADMP C[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903091107 584725743 /nfs/dbraw/zinc/72/57/43/584725743.db2.gz NHXWBDDBPQOSBA-IKKMQULASA-N 2 1 249.402 1.438 20 0 BDADMP C[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903091107 584725746 /nfs/dbraw/zinc/72/57/46/584725746.db2.gz NHXWBDDBPQOSBA-IKKMQULASA-N 2 1 249.402 1.438 20 0 BDADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903091107 584725748 /nfs/dbraw/zinc/72/57/48/584725748.db2.gz NHXWBDDBPQOSBA-IKKMQULASA-N 2 1 249.402 1.438 20 0 BDADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903091107 584725751 /nfs/dbraw/zinc/72/57/51/584725751.db2.gz NHXWBDDBPQOSBA-IKKMQULASA-N 2 1 249.402 1.438 20 0 BDADMP CO[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903158088 584731293 /nfs/dbraw/zinc/73/12/93/584731293.db2.gz QNKYWYSWFIDREN-CRMUJIHISA-N 2 1 238.375 1.769 20 0 BDADMP CN1CC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903224158 584738315 /nfs/dbraw/zinc/73/83/15/584738315.db2.gz QTWSGJPLOPDBCM-CHEQUFIKSA-N 2 1 249.402 1.438 20 0 BDADMP C[N@@H+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903224158 584738317 /nfs/dbraw/zinc/73/83/17/584738317.db2.gz QTWSGJPLOPDBCM-CHEQUFIKSA-N 2 1 249.402 1.438 20 0 BDADMP C[N@H+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903224158 584738318 /nfs/dbraw/zinc/73/83/18/584738318.db2.gz QTWSGJPLOPDBCM-CHEQUFIKSA-N 2 1 249.402 1.438 20 0 BDADMP C[NH+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903224158 584738320 /nfs/dbraw/zinc/73/83/20/584738320.db2.gz QTWSGJPLOPDBCM-CHEQUFIKSA-N 2 1 249.402 1.438 20 0 BDADMP C[NH+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903224158 584738321 /nfs/dbraw/zinc/73/83/21/584738321.db2.gz QTWSGJPLOPDBCM-CHEQUFIKSA-N 2 1 249.402 1.438 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903287376 584745861 /nfs/dbraw/zinc/74/58/61/584745861.db2.gz REBPNEUSOWESDG-BVYDJPLYSA-N 2 1 248.370 1.092 20 0 BDADMP C[N@@H+]1CC[C@@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000903324042 584747383 /nfs/dbraw/zinc/74/73/83/584747383.db2.gz UDKWVXYFPSTWJA-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@H+]1CC[C@@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000903324042 584747384 /nfs/dbraw/zinc/74/73/84/584747384.db2.gz UDKWVXYFPSTWJA-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000903352078 584755365 /nfs/dbraw/zinc/75/53/65/584755365.db2.gz QNUBIRPFSHOIFK-HZSPNIEDSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000903352078 584755366 /nfs/dbraw/zinc/75/53/66/584755366.db2.gz QNUBIRPFSHOIFK-HZSPNIEDSA-N 2 1 248.374 1.383 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000903431203 584761517 /nfs/dbraw/zinc/76/15/17/584761517.db2.gz IKAZRKOTIFACPA-UPJWGTAASA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000903444730 584769294 /nfs/dbraw/zinc/76/92/94/584769294.db2.gz VMXGHARJWKZLER-YIYPIFLZSA-N 2 1 239.407 1.256 20 0 BDADMP CCC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC[NH2+]CC1 ZINC000903445924 584769806 /nfs/dbraw/zinc/76/98/06/584769806.db2.gz ODDSDIGNUXLJHV-OLZOCXBDSA-N 3 1 239.407 1.306 20 0 BDADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC[NH2+]CC1 ZINC000903445924 584769808 /nfs/dbraw/zinc/76/98/08/584769808.db2.gz ODDSDIGNUXLJHV-OLZOCXBDSA-N 3 1 239.407 1.306 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000903447273 584770811 /nfs/dbraw/zinc/77/08/11/584770811.db2.gz MERICQXYBQHYQM-PDWCTOEPSA-N 3 1 237.391 1.173 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451708 584771902 /nfs/dbraw/zinc/77/19/02/584771902.db2.gz CPGIRDBITYMORD-FRRDWIJNSA-N 3 1 225.380 1.317 20 0 BDADMP OC[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903453811 584772579 /nfs/dbraw/zinc/77/25/79/584772579.db2.gz MPDYGIKQGWNSCH-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)OC1CC1 ZINC000903453989 584772629 /nfs/dbraw/zinc/77/26/29/584772629.db2.gz QTEUSEYRRLFQQM-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000903452852 584772631 /nfs/dbraw/zinc/77/26/31/584772631.db2.gz STAWORLLMGOBJU-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000903452852 584772632 /nfs/dbraw/zinc/77/26/32/584772632.db2.gz STAWORLLMGOBJU-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC000903454584 584773374 /nfs/dbraw/zinc/77/33/74/584773374.db2.gz CYPSNJQWLDYQTD-BFHYXJOUSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@@H+](CCc1cnccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457104 584774111 /nfs/dbraw/zinc/77/41/11/584774111.db2.gz NPHRLJVMCPOOBH-NEPJUHHUSA-N 2 1 234.347 1.078 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOC1CC1 ZINC000903455316 584774347 /nfs/dbraw/zinc/77/43/47/584774347.db2.gz UBAILKBDAOPRHT-SCVCMEIPSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1cnn(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903472341 584775936 /nfs/dbraw/zinc/77/59/36/584775936.db2.gz SGOJHGVEWYRLIM-GFCCVEGCSA-N 2 1 234.347 1.066 20 0 BDADMP CC1(C)CO[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000903472927 584775962 /nfs/dbraw/zinc/77/59/62/584775962.db2.gz XDRWXAOOBQSXDP-RYUDHWBXSA-N 2 1 238.375 1.676 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)nc1 ZINC000903472180 584776078 /nfs/dbraw/zinc/77/60/78/584776078.db2.gz XKDVUBONNBFEJY-AWEZNQCLSA-N 2 1 245.370 1.807 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000903472336 584776375 /nfs/dbraw/zinc/77/63/75/584776375.db2.gz SDJQMWPNYZWVNM-VXGBXAGGSA-N 2 1 226.364 1.532 20 0 BDADMP FC(F)OCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481801 584778200 /nfs/dbraw/zinc/77/82/00/584778200.db2.gz NHJOKCAOMRXUII-SECBINFHSA-N 2 1 234.290 1.490 20 0 BDADMP C(COCC1CC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483525 584779335 /nfs/dbraw/zinc/77/93/35/584779335.db2.gz INDUIQFWESEKEU-ZDUSSCGKSA-N 2 1 238.375 1.677 20 0 BDADMP Cc1cnn(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484865 584779685 /nfs/dbraw/zinc/77/96/85/584779685.db2.gz XEMGMQHFKLLAMM-ZDUSSCGKSA-N 2 1 248.374 1.456 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCC1 ZINC000903498564 584780030 /nfs/dbraw/zinc/78/00/30/584780030.db2.gz KRXSYKBMOLRLJL-BNOWGMLFSA-N 2 1 240.391 1.718 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000903717397 584792414 /nfs/dbraw/zinc/79/24/14/584792414.db2.gz QGHPRGYXDAQRPV-IYXRBSQSSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732306 584792903 /nfs/dbraw/zinc/79/29/03/584792903.db2.gz FGMQOYPNYKOWLZ-RFGFWPKPSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732308 584792929 /nfs/dbraw/zinc/79/29/29/584792929.db2.gz FGMQOYPNYKOWLZ-XJFOESAGSA-N 2 1 238.375 1.485 20 0 BDADMP OCC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903768681 584798083 /nfs/dbraw/zinc/79/80/83/584798083.db2.gz PABONHHAMZYOOX-KBPBESRZSA-N 2 1 240.391 1.613 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778024 584799869 /nfs/dbraw/zinc/79/98/69/584799869.db2.gz IUGZKINHEJKNOG-CHWSQXEVSA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cc[nH]n2)CCC1 ZINC000903811885 584803490 /nfs/dbraw/zinc/80/34/90/584803490.db2.gz PJRZJNAEPMXVHX-ZDUSSCGKSA-N 2 1 248.374 1.893 20 0 BDADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cc[nH]n2)CCC1 ZINC000903811885 584803491 /nfs/dbraw/zinc/80/34/91/584803491.db2.gz PJRZJNAEPMXVHX-ZDUSSCGKSA-N 2 1 248.374 1.893 20 0 BDADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810327 584803622 /nfs/dbraw/zinc/80/36/22/584803622.db2.gz BAJHZAIDODHXOU-NWDGAFQWSA-N 2 1 226.364 1.351 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC=CC1)C2 ZINC000903842990 584807742 /nfs/dbraw/zinc/80/77/42/584807742.db2.gz ZYJVMTOJSYOEAQ-AVGNSLFASA-N 2 1 206.333 1.764 20 0 BDADMP NC[C@@]12CC[C@@H]1CC[N@H+]2CCC1CC[NH2+]CC1 ZINC000903854127 584809053 /nfs/dbraw/zinc/80/90/53/584809053.db2.gz IDILPSJETCNEKE-KGLIPLIRSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCC1CC[NH2+]CC1 ZINC000903854127 584809054 /nfs/dbraw/zinc/80/90/54/584809054.db2.gz IDILPSJETCNEKE-KGLIPLIRSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCC1CC[NH2+]CC1 ZINC000903854127 584809055 /nfs/dbraw/zinc/80/90/55/584809055.db2.gz IDILPSJETCNEKE-KGLIPLIRSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC1CCCC1 ZINC000903856895 584810182 /nfs/dbraw/zinc/81/01/82/584810182.db2.gz TUBVZVZVDXIKQB-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC1CCCC1 ZINC000903856895 584810183 /nfs/dbraw/zinc/81/01/83/584810183.db2.gz TUBVZVZVDXIKQB-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCCCCO ZINC000903857447 584810194 /nfs/dbraw/zinc/81/01/94/584810194.db2.gz VHJLBKXALSRGQB-QWHCGFSZSA-N 2 1 226.364 1.352 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCCCCO ZINC000903857447 584810195 /nfs/dbraw/zinc/81/01/95/584810195.db2.gz VHJLBKXALSRGQB-QWHCGFSZSA-N 2 1 226.364 1.352 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903860979 584811673 /nfs/dbraw/zinc/81/16/73/584811673.db2.gz VERDMQJFKHRPRN-FVCCEPFGSA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903860979 584811674 /nfs/dbraw/zinc/81/16/74/584811674.db2.gz VERDMQJFKHRPRN-FVCCEPFGSA-N 2 1 224.348 1.225 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861005 584812153 /nfs/dbraw/zinc/81/21/53/584812153.db2.gz VHLSRJFWDZBQRY-MROQNXINSA-N 2 1 208.349 1.846 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861005 584812154 /nfs/dbraw/zinc/81/21/54/584812154.db2.gz VHLSRJFWDZBQRY-MROQNXINSA-N 2 1 208.349 1.846 20 0 BDADMP C=C/C=C/CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870701 584814302 /nfs/dbraw/zinc/81/43/02/584814302.db2.gz PKVXYRRLRGDGAU-ITDFMYJTSA-N 2 1 206.333 1.947 20 0 BDADMP C=C/C=C/CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870701 584814303 /nfs/dbraw/zinc/81/43/03/584814303.db2.gz PKVXYRRLRGDGAU-ITDFMYJTSA-N 2 1 206.333 1.947 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869632 584814357 /nfs/dbraw/zinc/81/43/57/584814357.db2.gz JCNCLTASDPIAGA-BFHYXJOUSA-N 2 1 236.359 1.241 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000903895919 584819632 /nfs/dbraw/zinc/81/96/32/584819632.db2.gz RYSUMPAEULVMDR-SCXOTVEISA-N 2 1 249.402 1.201 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000903895919 584819633 /nfs/dbraw/zinc/81/96/33/584819633.db2.gz RYSUMPAEULVMDR-SCXOTVEISA-N 2 1 249.402 1.201 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000903909987 584822050 /nfs/dbraw/zinc/82/20/50/584822050.db2.gz ZCDFNKQKWSMOEY-GARJFASQSA-N 2 1 249.349 1.383 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903917510 584826772 /nfs/dbraw/zinc/82/67/72/584826772.db2.gz MRRUIEKDENGWHE-DKUMPPAJSA-N 3 1 249.402 1.202 20 0 BDADMP CC(C)[C@H](N)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916516 584826847 /nfs/dbraw/zinc/82/68/47/584826847.db2.gz HFKSWPGUANWRFN-PSEXLTFBSA-N 2 1 225.380 1.090 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000903960395 584828215 /nfs/dbraw/zinc/82/82/15/584828215.db2.gz IKVNMXIMTFXFDH-YRGRVCCFSA-N 2 1 246.354 1.750 20 0 BDADMP [NH3+]CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000903947779 584829376 /nfs/dbraw/zinc/82/93/76/584829376.db2.gz HPFCHXZIURTCJU-STQMWFEESA-N 2 1 222.307 1.950 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000903947635 584829404 /nfs/dbraw/zinc/82/94/04/584829404.db2.gz CYGQDKSERKFCNV-QWHCGFSZSA-N 3 1 239.407 1.720 20 0 BDADMP CC[C@H](C)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975000 584832687 /nfs/dbraw/zinc/83/26/87/584832687.db2.gz YIOSTAOOMYQOFW-QWHCGFSZSA-N 2 1 240.391 1.781 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978402 584833100 /nfs/dbraw/zinc/83/31/00/584833100.db2.gz OGOBUOOIFPKTRP-UPJWGTAASA-N 3 1 227.396 1.134 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)cc1F ZINC000903964004 584834121 /nfs/dbraw/zinc/83/41/21/584834121.db2.gz DKCQBBKVWDTHNF-KOLCDFICSA-N 2 1 240.297 1.910 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903965170 584834414 /nfs/dbraw/zinc/83/44/14/584834414.db2.gz YVUAFYBKPPGABZ-NEPJUHHUSA-N 2 1 249.358 1.425 20 0 BDADMP CC(C)n1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903965100 584834678 /nfs/dbraw/zinc/83/46/78/584834678.db2.gz UYVPDEBPWGTTKC-YPMHNXCESA-N 2 1 236.363 1.409 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299707 584860849 /nfs/dbraw/zinc/86/08/49/584860849.db2.gz MDDHFADAUOGDAY-SWLSCSKDSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904300830 584861463 /nfs/dbraw/zinc/86/14/63/584861463.db2.gz BURZKLFXYDKOCF-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904300830 584861465 /nfs/dbraw/zinc/86/14/65/584861465.db2.gz BURZKLFXYDKOCF-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904301552 584861637 /nfs/dbraw/zinc/86/16/37/584861637.db2.gz NRRORSCUCNEWEZ-CHWSQXEVSA-N 2 1 226.364 1.080 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904302054 584861824 /nfs/dbraw/zinc/86/18/24/584861824.db2.gz UKGMLMLWAAYOAT-GJZGRUSLSA-N 3 1 247.386 1.705 20 0 BDADMP CC[C@H]1CN(Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904302054 584861825 /nfs/dbraw/zinc/86/18/25/584861825.db2.gz UKGMLMLWAAYOAT-GJZGRUSLSA-N 2 1 247.386 1.705 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904310017 584862582 /nfs/dbraw/zinc/86/25/82/584862582.db2.gz UVZBZHNELGPPLF-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1cc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000904310249 584862633 /nfs/dbraw/zinc/86/26/33/584862633.db2.gz YJSZCKKRXLXTTR-AOOOYVTPSA-N 2 1 209.293 1.152 20 0 BDADMP C[N@@H+](Cc1nccn1C(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307502 584863006 /nfs/dbraw/zinc/86/30/06/584863006.db2.gz CACNERKLNZHAII-DTORHVGOSA-N 2 1 244.289 1.447 20 0 BDADMP C[N@H+](Cc1nccn1C(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307502 584863007 /nfs/dbraw/zinc/86/30/07/584863007.db2.gz CACNERKLNZHAII-DTORHVGOSA-N 2 1 244.289 1.447 20 0 BDADMP CC(C)(C)C[N@@H+](CCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317941 584863920 /nfs/dbraw/zinc/86/39/20/584863920.db2.gz KHPUGECDSJNUCO-TXEJJXNPSA-N 2 1 228.380 1.454 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3c(F)cccc3C2)C1 ZINC000904318707 584863980 /nfs/dbraw/zinc/86/39/80/584863980.db2.gz TZGISFXSCUZCIV-KLPPZKSPSA-N 2 1 234.318 1.921 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904323287 584864533 /nfs/dbraw/zinc/86/45/33/584864533.db2.gz NSQXFFVFGXJFPR-FVCCEPFGSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000904323287 584864534 /nfs/dbraw/zinc/86/45/34/584864534.db2.gz NSQXFFVFGXJFPR-FVCCEPFGSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000904323287 584864535 /nfs/dbraw/zinc/86/45/35/584864535.db2.gz NSQXFFVFGXJFPR-FVCCEPFGSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[NH+]1C ZINC000904323287 584864536 /nfs/dbraw/zinc/86/45/36/584864536.db2.gz NSQXFFVFGXJFPR-FVCCEPFGSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[NH+]1C ZINC000904323287 584864537 /nfs/dbraw/zinc/86/45/37/584864537.db2.gz NSQXFFVFGXJFPR-FVCCEPFGSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904321942 584864701 /nfs/dbraw/zinc/86/47/01/584864701.db2.gz KXNCWNHRFDHVNY-MELADBBJSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1O ZINC000904341479 584867501 /nfs/dbraw/zinc/86/75/01/584867501.db2.gz RWKLUHKDQLUERY-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1O ZINC000904345297 584868628 /nfs/dbraw/zinc/86/86/28/584868628.db2.gz CRWAYIOLVCZLSP-JHJVBQTASA-N 2 1 242.407 1.843 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1O ZINC000904345297 584868629 /nfs/dbraw/zinc/86/86/29/584868629.db2.gz CRWAYIOLVCZLSP-JHJVBQTASA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)(C)CC[C@H](N)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000904353593 584870437 /nfs/dbraw/zinc/87/04/37/584870437.db2.gz OFPKNLNJYLVEDQ-STQMWFEESA-N 2 1 241.423 1.729 20 0 BDADMP C[C@@]1(C[NH2+]C[C@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000904355172 584870677 /nfs/dbraw/zinc/87/06/77/584870677.db2.gz LFULMUGOMSTYBL-ZIAGYGMSSA-N 3 1 239.407 1.355 20 0 BDADMP C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000904355474 584871247 /nfs/dbraw/zinc/87/12/47/584871247.db2.gz ODQFXRSJFKURAQ-FZMZJTMJSA-N 2 1 233.359 1.233 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000904377179 584876363 /nfs/dbraw/zinc/87/63/63/584876363.db2.gz KLZPEHTUYOZEHG-UHFFFAOYSA-N 3 1 233.359 1.506 20 0 BDADMP C[C@@]12COC[C@H]1C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379811 584876593 /nfs/dbraw/zinc/87/65/93/584876593.db2.gz XWFZFFVFOUWFGU-HZSPNIEDSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1CO ZINC000904381587 584877430 /nfs/dbraw/zinc/87/74/30/584877430.db2.gz ZERDAMOKVKWUSE-MCIONIFRSA-N 2 1 240.391 1.326 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000904385324 584877937 /nfs/dbraw/zinc/87/79/37/584877937.db2.gz VPTVVMZASHHUIS-XQQFMLRXSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H]1C[N@@H+](CC2(F)CC2)CC[C@H]1C[NH3+] ZINC000904409744 584879074 /nfs/dbraw/zinc/87/90/74/584879074.db2.gz HMDWKTTZKSMIMH-UWVGGRQHSA-N 2 1 200.301 1.405 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412178 584879551 /nfs/dbraw/zinc/87/95/51/584879551.db2.gz RUTMRIOKRARMCU-JQWIXIFHSA-N 2 1 236.363 1.145 20 0 BDADMP CC[C@H]1C[C@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000904417423 584881563 /nfs/dbraw/zinc/88/15/63/584881563.db2.gz BOSXQUGZEJGJKO-SYQHCUMBSA-N 2 1 240.391 1.718 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420299 584882146 /nfs/dbraw/zinc/88/21/46/584882146.db2.gz JVTRADGLECWAEF-QWHCGFSZSA-N 2 1 248.374 1.505 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420299 584882148 /nfs/dbraw/zinc/88/21/48/584882148.db2.gz JVTRADGLECWAEF-QWHCGFSZSA-N 2 1 248.374 1.505 20 0 BDADMP C[C@@H](CO)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144943 584972877 /nfs/dbraw/zinc/97/28/77/584972877.db2.gz SMEFJXKFHXDXSE-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H](CO)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815144943 584972878 /nfs/dbraw/zinc/97/28/78/584972878.db2.gz SMEFJXKFHXDXSE-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000738312911 585042788 /nfs/dbraw/zinc/04/27/88/585042788.db2.gz ZCDQJVQTCVGFLC-ZDUSSCGKSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827002 585180747 /nfs/dbraw/zinc/18/07/47/585180747.db2.gz BLFDMQATCXPKAD-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827002 585180748 /nfs/dbraw/zinc/18/07/48/585180748.db2.gz BLFDMQATCXPKAD-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCO)CC[N@@H+]1C ZINC000750185880 585211764 /nfs/dbraw/zinc/21/17/64/585211764.db2.gz UEDCAOYBAVVNSU-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCO)CC[N@H+]1C ZINC000750185880 585211765 /nfs/dbraw/zinc/21/17/65/585211765.db2.gz UEDCAOYBAVVNSU-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCCO)CC[NH+]1C ZINC000750185880 585211766 /nfs/dbraw/zinc/21/17/66/585211766.db2.gz UEDCAOYBAVVNSU-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCCO)CC[NH+]1C ZINC000750185880 585211767 /nfs/dbraw/zinc/21/17/67/585211767.db2.gz UEDCAOYBAVVNSU-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)C2CC2)CC1 ZINC000759966481 585383522 /nfs/dbraw/zinc/38/35/22/585383522.db2.gz LMUUUSSTUGIBIR-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)C2CC2)CC1 ZINC000759966481 585383523 /nfs/dbraw/zinc/38/35/23/585383523.db2.gz LMUUUSSTUGIBIR-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760841857 585398658 /nfs/dbraw/zinc/39/86/58/585398658.db2.gz ADMPFLLDHLFOGR-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)C1CC1 ZINC000763069127 585442811 /nfs/dbraw/zinc/44/28/11/585442811.db2.gz SEGQLNYOXTWANY-ZDUSSCGKSA-N 2 1 237.347 1.332 20 0 BDADMP CCc1cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000765995804 585495569 /nfs/dbraw/zinc/49/55/69/585495569.db2.gz XPGUGEGNBHLFQL-JQWIXIFHSA-N 2 1 236.363 1.544 20 0 BDADMP CCc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000765995804 585495570 /nfs/dbraw/zinc/49/55/70/585495570.db2.gz XPGUGEGNBHLFQL-JQWIXIFHSA-N 2 1 236.363 1.544 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCF)CC[C@H]21 ZINC000766988928 585512409 /nfs/dbraw/zinc/51/24/09/585512409.db2.gz FRXNWNZSUIEPMG-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCF)CC[C@H]21 ZINC000766988928 585512410 /nfs/dbraw/zinc/51/24/10/585512410.db2.gz FRXNWNZSUIEPMG-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCF)CC[C@H]21 ZINC000766988928 585512411 /nfs/dbraw/zinc/51/24/11/585512411.db2.gz FRXNWNZSUIEPMG-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCF)CC[C@H]21 ZINC000766988928 585512412 /nfs/dbraw/zinc/51/24/12/585512412.db2.gz FRXNWNZSUIEPMG-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000771799069 585600476 /nfs/dbraw/zinc/60/04/76/585600476.db2.gz JEWRGIVRSVOHTM-UONOGXRCSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](CCO)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779342027 585751869 /nfs/dbraw/zinc/75/18/69/585751869.db2.gz QBSWFSFSVLHYCF-MJBXVCDLSA-N 2 1 242.407 1.715 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779346095 585752184 /nfs/dbraw/zinc/75/21/84/585752184.db2.gz UHNSWFLGDFINJL-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCO ZINC000779397340 585752954 /nfs/dbraw/zinc/75/29/54/585752954.db2.gz ADVJVLGWKBHXGP-WDEREUQCSA-N 2 1 225.336 1.188 20 0 BDADMP C[C@@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000779406678 585753660 /nfs/dbraw/zinc/75/36/60/585753660.db2.gz XKLOFHMZWKHTNX-WODVXLOZSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H](CCO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000779406678 585753661 /nfs/dbraw/zinc/75/36/61/585753661.db2.gz XKLOFHMZWKHTNX-WODVXLOZSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc[nH]c(=O)c1 ZINC000788694063 585929116 /nfs/dbraw/zinc/92/91/16/585929116.db2.gz UQGPNPKQGPRXBG-NSHDSACASA-N 2 1 247.342 1.700 20 0 BDADMP Cc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)n(C)n1 ZINC000793525700 586021767 /nfs/dbraw/zinc/02/17/67/586021767.db2.gz JPGQXLMLUADHCK-ZYHUDNBSSA-N 2 1 238.379 1.719 20 0 BDADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)n(C)n1 ZINC000813876867 586608563 /nfs/dbraw/zinc/60/85/63/586608563.db2.gz AZOKFWWGWIFFBA-PWSUYJOCSA-N 2 1 238.379 1.577 20 0 BDADMP COC(C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000815145543 586670557 /nfs/dbraw/zinc/67/05/57/586670557.db2.gz XZLCJJXPLAVPGR-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000815145543 586670558 /nfs/dbraw/zinc/67/05/58/586670558.db2.gz XZLCJJXPLAVPGR-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OC ZINC000815145543 586670559 /nfs/dbraw/zinc/67/05/59/586670559.db2.gz XZLCJJXPLAVPGR-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)OC ZINC000815145543 586670560 /nfs/dbraw/zinc/67/05/60/586670560.db2.gz XZLCJJXPLAVPGR-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP C[C@@H]([NH2+]Cc1cccc2c1OCCO2)C1C[NH2+]C1 ZINC000817911347 586838652 /nfs/dbraw/zinc/83/86/52/586838652.db2.gz KLPJEYPYBIBUHM-SNVBAGLBSA-N 2 1 248.326 1.155 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(F)n1 ZINC000817916542 586839415 /nfs/dbraw/zinc/83/94/15/586839415.db2.gz HBBRJYICXGEJLD-RKDXNWHRSA-N 2 1 211.284 1.436 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccnc1F ZINC000817926859 586841108 /nfs/dbraw/zinc/84/11/08/586841108.db2.gz AZBWSKCKDACFGJ-RKDXNWHRSA-N 2 1 211.284 1.436 20 0 BDADMP CC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])OCCCO1 ZINC000817926417 586841319 /nfs/dbraw/zinc/84/13/19/586841319.db2.gz IFIGTENZPAYTAA-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817925269 586841325 /nfs/dbraw/zinc/84/13/25/586841325.db2.gz UQXNXAZOMHVKTF-KBPBESRZSA-N 2 1 248.370 1.883 20 0 BDADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817928930 586842397 /nfs/dbraw/zinc/84/23/97/586842397.db2.gz IJZXWWPKRMZZBP-RRFJBIMHSA-N 2 1 248.370 1.752 20 0 BDADMP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000817949633 586847426 /nfs/dbraw/zinc/84/74/26/586847426.db2.gz LCQKKHUJDAVYSL-UPJWGTAASA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817966484 586854913 /nfs/dbraw/zinc/85/49/13/586854913.db2.gz ORTWDOVEEALARO-NXEZZACHSA-N 2 1 220.316 1.619 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccns1 ZINC000860061003 589077775 /nfs/dbraw/zinc/07/77/75/589077775.db2.gz DWKTZPNNFSVXLH-SECBINFHSA-N 2 1 236.344 1.770 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)COC3)CCC1 ZINC000841048778 587940279 /nfs/dbraw/zinc/94/02/79/587940279.db2.gz LQZDKCIHXOKIOS-UHFFFAOYSA-N 2 1 232.327 1.688 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000841064243 587941909 /nfs/dbraw/zinc/94/19/09/587941909.db2.gz WMOUCGVDLBJMAI-TZMCWYRMSA-N 2 1 240.391 1.923 20 0 BDADMP CN(C)c1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000842291924 588014492 /nfs/dbraw/zinc/01/44/92/588014492.db2.gz NLTCWDWXUCUJQC-UWVGGRQHSA-N 2 1 235.335 1.224 20 0 BDADMP C[N@@H+](Cc1cnc(N)s1)C1CCC([NH3+])CC1 ZINC000843054922 588077999 /nfs/dbraw/zinc/07/79/99/588077999.db2.gz NRXGIXJLEBFWKG-UHFFFAOYSA-N 2 1 240.376 1.427 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843055915 588078049 /nfs/dbraw/zinc/07/80/49/588078049.db2.gz RYBHDTVYCJLTPX-HIFPTAJRSA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000843114245 588081970 /nfs/dbraw/zinc/08/19/70/588081970.db2.gz DQHWUSMGIPPKPA-NSHDSACASA-N 2 1 219.332 1.608 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000843114245 588081972 /nfs/dbraw/zinc/08/19/72/588081972.db2.gz DQHWUSMGIPPKPA-NSHDSACASA-N 2 1 219.332 1.608 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000843114244 588082161 /nfs/dbraw/zinc/08/21/61/588082161.db2.gz DQHWUSMGIPPKPA-LLVKDONJSA-N 2 1 219.332 1.608 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000843114244 588082163 /nfs/dbraw/zinc/08/21/63/588082163.db2.gz DQHWUSMGIPPKPA-LLVKDONJSA-N 2 1 219.332 1.608 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000843127061 588084426 /nfs/dbraw/zinc/08/44/26/588084426.db2.gz YVKIBFPSBLLKSI-UHFFFAOYSA-N 2 1 245.330 1.094 20 0 BDADMP C[C@@H](NCCCCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000843343682 588101423 /nfs/dbraw/zinc/10/14/23/588101423.db2.gz CUAUAWJLSIMVAO-VXGBXAGGSA-N 2 1 213.369 1.236 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1CN ZINC000843350891 588102312 /nfs/dbraw/zinc/10/23/12/588102312.db2.gz ATHNCCSUPUYYTF-KGLIPLIRSA-N 2 1 241.423 1.955 20 0 BDADMP C[C@@H]1CCCN(CCCCCCC[NH3+])[C@H]1C[NH3+] ZINC000843350891 588102314 /nfs/dbraw/zinc/10/23/14/588102314.db2.gz ATHNCCSUPUYYTF-KGLIPLIRSA-N 2 1 241.423 1.955 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCCCCCC[NH3+])C1CC1 ZINC000843355834 588103238 /nfs/dbraw/zinc/10/32/38/588103238.db2.gz KFDMVYBYPNRCDE-ZDUSSCGKSA-N 3 1 227.396 1.613 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843354287 588103260 /nfs/dbraw/zinc/10/32/60/588103260.db2.gz XNYIWZODGKSEAZ-OLZOCXBDSA-N 3 1 227.396 1.565 20 0 BDADMP C[C@@H]1[C@H](C)NCC[N@H+]1CCCCCCC[NH3+] ZINC000843377346 588105118 /nfs/dbraw/zinc/10/51/18/588105118.db2.gz OSXIPHSCSFIINF-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]CCN1CCCCCCC[NH3+] ZINC000843377346 588105119 /nfs/dbraw/zinc/10/51/19/588105119.db2.gz OSXIPHSCSFIINF-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])[C@@H](CN)C1CC1 ZINC000843387032 588105534 /nfs/dbraw/zinc/10/55/34/588105534.db2.gz NZFRYIPXEHAIKU-ZDUSSCGKSA-N 2 1 227.396 1.565 20 0 BDADMP CN(CCCCCCC[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000843387032 588105536 /nfs/dbraw/zinc/10/55/36/588105536.db2.gz NZFRYIPXEHAIKU-ZDUSSCGKSA-N 2 1 227.396 1.565 20 0 BDADMP Cl/C=C\C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846219669 588260664 /nfs/dbraw/zinc/26/06/64/588260664.db2.gz FAIBVDXYDUNICG-KTAJNNJTSA-N 2 1 214.740 1.814 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000846222012 588261004 /nfs/dbraw/zinc/26/10/04/588261004.db2.gz KHCDUOHRJVKMOI-QWHCGFSZSA-N 2 1 204.317 1.823 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000846223680 588261676 /nfs/dbraw/zinc/26/16/76/588261676.db2.gz MBNUCCNQIVRSKI-VXGBXAGGSA-N 2 1 213.369 1.365 20 0 BDADMP C[NH+]1CCC(CCO)([NH2+]C2CCCC2)CC1 ZINC000848560072 588397620 /nfs/dbraw/zinc/39/76/20/588397620.db2.gz YDIYZCSRBUXLRC-UHFFFAOYSA-N 2 1 226.364 1.365 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000848987498 588426454 /nfs/dbraw/zinc/42/64/54/588426454.db2.gz BHJNRVFAQDPHFV-RYUDHWBXSA-N 2 1 240.395 1.631 20 0 BDADMP CCCCCCNC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996708 588429633 /nfs/dbraw/zinc/42/96/33/588429633.db2.gz TVBGEAWEMQXMEK-LLVKDONJSA-N 2 1 228.384 1.631 20 0 BDADMP CCNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000848997225 588429717 /nfs/dbraw/zinc/42/97/17/588429717.db2.gz LVHJSCYINYHMGR-LLVKDONJSA-N 2 1 240.395 1.631 20 0 BDADMP CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000849012718 588436019 /nfs/dbraw/zinc/43/60/19/588436019.db2.gz VCMLBRTUSGUEPN-NSHDSACASA-N 2 1 226.368 1.098 20 0 BDADMP [NH2+]=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCCCC1 ZINC000849020467 588438619 /nfs/dbraw/zinc/43/86/19/588438619.db2.gz SBVDIHPOYHPZBY-NSHDSACASA-N 2 1 247.346 1.208 20 0 BDADMP CC(C)CCNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000849020396 588438655 /nfs/dbraw/zinc/43/86/55/588438655.db2.gz FVZVJKWBMYGNAA-LLVKDONJSA-N 2 1 249.362 1.358 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCF ZINC000849030080 588442308 /nfs/dbraw/zinc/44/23/08/588442308.db2.gz BSBMMDSZHCOUFZ-NSHDSACASA-N 2 1 244.358 1.334 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039304 588446868 /nfs/dbraw/zinc/44/68/68/588446868.db2.gz REWIYKYGFSRHDE-NSHDSACASA-N 2 1 240.395 1.773 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849041610 588448046 /nfs/dbraw/zinc/44/80/46/588448046.db2.gz SORZNUYUWFINQQ-NSHDSACASA-N 2 1 240.395 1.631 20 0 BDADMP CCCNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849047055 588450358 /nfs/dbraw/zinc/45/03/58/588450358.db2.gz OEXMJYKLWBFEJD-UHFFFAOYSA-N 2 1 228.384 1.488 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])NC(C)(C)C ZINC000849046501 588450429 /nfs/dbraw/zinc/45/04/29/588450429.db2.gz HVJAVBZYCRSKMH-UHFFFAOYSA-N 2 1 242.411 1.877 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000108324329 588460720 /nfs/dbraw/zinc/46/07/20/588460720.db2.gz GZYFNWQUVTYFCN-STQMWFEESA-N 2 1 210.365 1.964 20 0 BDADMP Cc1nnc(C[N@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000110117045 588611917 /nfs/dbraw/zinc/61/19/17/588611917.db2.gz DGVMBDXZQYGZLT-UHFFFAOYSA-N 2 1 238.335 1.152 20 0 BDADMP Cc1nnc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000110117045 588611918 /nfs/dbraw/zinc/61/19/18/588611918.db2.gz DGVMBDXZQYGZLT-UHFFFAOYSA-N 2 1 238.335 1.152 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCOC(F)F)CC[N@@H+]1C ZINC000851796591 588629651 /nfs/dbraw/zinc/62/96/51/588629651.db2.gz IABZCVHJLMTXNJ-UWVGGRQHSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCOC(F)F)CC[N@H+]1C ZINC000851796591 588629652 /nfs/dbraw/zinc/62/96/52/588629652.db2.gz IABZCVHJLMTXNJ-UWVGGRQHSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCOC(F)F)CC[NH+]1C ZINC000851796591 588629653 /nfs/dbraw/zinc/62/96/53/588629653.db2.gz IABZCVHJLMTXNJ-UWVGGRQHSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCOC(F)F)CC[NH+]1C ZINC000851796591 588629654 /nfs/dbraw/zinc/62/96/54/588629654.db2.gz IABZCVHJLMTXNJ-UWVGGRQHSA-N 2 1 236.306 1.640 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)C1CC1)C2 ZINC000852107453 588664243 /nfs/dbraw/zinc/66/42/43/588664243.db2.gz LLNVHQWJLKBRTB-ZIAGYGMSSA-N 2 1 238.375 1.175 20 0 BDADMP C[N@@H+](CCOC(F)F)C1CCC([NH3+])CC1 ZINC000852740636 588698276 /nfs/dbraw/zinc/69/82/76/588698276.db2.gz HDGUGPUFNPQFPA-UHFFFAOYSA-N 2 1 222.279 1.427 20 0 BDADMP CCc1nocc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746678 588698768 /nfs/dbraw/zinc/69/87/68/588698768.db2.gz OGVVWHCMZAZXLB-UHFFFAOYSA-N 2 1 249.358 1.813 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000852744317 588698830 /nfs/dbraw/zinc/69/88/30/588698830.db2.gz YIQGFIHCBLVXAL-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP FC(F)OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852748101 588699457 /nfs/dbraw/zinc/69/94/57/588699457.db2.gz JHYJLTODOSRTMK-NSHDSACASA-N 2 1 234.290 1.301 20 0 BDADMP FC(F)OCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852748101 588699458 /nfs/dbraw/zinc/69/94/58/588699458.db2.gz JHYJLTODOSRTMK-NSHDSACASA-N 2 1 234.290 1.301 20 0 BDADMP C[C@@]12COC[C@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000852758854 588700677 /nfs/dbraw/zinc/70/06/77/588700677.db2.gz FUOGWAWVKDTPQM-CHWSQXEVSA-N 2 1 226.364 1.474 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1CCCOC1 ZINC000863482868 589292621 /nfs/dbraw/zinc/29/26/21/589292621.db2.gz MJZZRULJXRPQPR-GHMZBOCLSA-N 2 1 210.321 1.040 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864455269 589366536 /nfs/dbraw/zinc/36/65/36/589366536.db2.gz LIXWZUDFJMJRGE-UTUOFQBUSA-N 2 1 238.379 1.239 20 0 BDADMP Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000866206807 589479948 /nfs/dbraw/zinc/47/99/48/589479948.db2.gz NCSHJRRMJYGMNB-OLZOCXBDSA-N 2 1 246.358 1.624 20 0 BDADMP Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000866206807 589479949 /nfs/dbraw/zinc/47/99/49/589479949.db2.gz NCSHJRRMJYGMNB-OLZOCXBDSA-N 2 1 246.358 1.624 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704566 589513342 /nfs/dbraw/zinc/51/33/42/589513342.db2.gz WIOFOLYBUMKIMO-KGLIPLIRSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704566 589513344 /nfs/dbraw/zinc/51/33/44/589513344.db2.gz WIOFOLYBUMKIMO-KGLIPLIRSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704566 589513346 /nfs/dbraw/zinc/51/33/46/589513346.db2.gz WIOFOLYBUMKIMO-KGLIPLIRSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704566 589513348 /nfs/dbraw/zinc/51/33/48/589513348.db2.gz WIOFOLYBUMKIMO-KGLIPLIRSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704566 589513349 /nfs/dbraw/zinc/51/33/49/589513349.db2.gz WIOFOLYBUMKIMO-KGLIPLIRSA-N 3 1 237.391 1.012 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704196 589513758 /nfs/dbraw/zinc/51/37/58/589513758.db2.gz RJSDDRIZNCHHFZ-UWVGGRQHSA-N 2 1 200.351 1.020 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722925 589514936 /nfs/dbraw/zinc/51/49/36/589514936.db2.gz ASYKBOZIJORAKR-BFHYXJOUSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000866722925 589514937 /nfs/dbraw/zinc/51/49/37/589514937.db2.gz ASYKBOZIJORAKR-BFHYXJOUSA-N 3 1 237.391 1.202 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725306 589516441 /nfs/dbraw/zinc/51/64/41/589516441.db2.gz RWQXDGSBXRVNSL-STQMWFEESA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725306 589516442 /nfs/dbraw/zinc/51/64/42/589516442.db2.gz RWQXDGSBXRVNSL-STQMWFEESA-N 3 1 225.380 1.332 20 0 BDADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CCC[NH3+] ZINC000870979786 589704664 /nfs/dbraw/zinc/70/46/64/589704664.db2.gz RXCYDDDHDCBBAT-ZDUSSCGKSA-N 2 1 247.342 1.028 20 0 BDADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CCC[NH3+] ZINC000870979786 589704666 /nfs/dbraw/zinc/70/46/66/589704666.db2.gz RXCYDDDHDCBBAT-ZDUSSCGKSA-N 2 1 247.342 1.028 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)CC ZINC000872062420 589862701 /nfs/dbraw/zinc/86/27/01/589862701.db2.gz MPOSKLSLFKLXQW-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)CC ZINC000872062420 589862703 /nfs/dbraw/zinc/86/27/03/589862703.db2.gz MPOSKLSLFKLXQW-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)CC(C)(C)C[NH3+] ZINC000872141847 589882566 /nfs/dbraw/zinc/88/25/66/589882566.db2.gz WEHOGRGZIQXQII-GFCCVEGCSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872145589 589883966 /nfs/dbraw/zinc/88/39/66/589883966.db2.gz UKGWWFHESCZCGS-FDYHWXHSSA-N 2 1 240.391 1.778 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316669 589910475 /nfs/dbraw/zinc/91/04/75/589910475.db2.gz QKGBGKBWRXZLMT-KGLIPLIRSA-N 2 1 249.358 1.654 20 0 BDADMP C[N@@H+](CCC1OCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000124399497 589984396 /nfs/dbraw/zinc/98/43/96/589984396.db2.gz KKHRNAOCDLYJFV-LBPRGKRZSA-N 2 1 242.363 1.023 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873215924 589998071 /nfs/dbraw/zinc/99/80/71/589998071.db2.gz HKTYCPCLDSBLJP-OBPIAQAESA-N 2 1 238.375 1.388 20 0 BDADMP F[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000873218167 589998855 /nfs/dbraw/zinc/99/88/55/589998855.db2.gz YPPJCYCBRSRJLC-MNOVXSKESA-N 2 1 200.301 1.609 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220360 589998954 /nfs/dbraw/zinc/99/89/54/589998954.db2.gz LHNUADRYMGTCCQ-WCQYABFASA-N 2 1 227.396 1.338 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@]3(C)CC[NH2+]C3)CC[C@@H]21 ZINC000873221830 589999616 /nfs/dbraw/zinc/99/96/16/589999616.db2.gz RKOCQKONDVINDX-HZSPNIEDSA-N 3 1 237.391 1.012 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873235638 590004678 /nfs/dbraw/zinc/00/46/78/590004678.db2.gz QXOXXWIMIVPZOB-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873257452 590012165 /nfs/dbraw/zinc/01/21/65/590012165.db2.gz HULCYMKYDGLYGZ-UBSAEIQESA-N 3 1 237.391 1.201 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000873258191 590012391 /nfs/dbraw/zinc/01/23/91/590012391.db2.gz NUTDJRLHINSUDI-FDYHWXHSSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000873258191 590012394 /nfs/dbraw/zinc/01/23/94/590012394.db2.gz NUTDJRLHINSUDI-FDYHWXHSSA-N 2 1 225.380 1.044 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876991359 590266249 /nfs/dbraw/zinc/26/62/49/590266249.db2.gz MEZLITNCNYQXIU-VIFPVBQESA-N 2 1 248.157 1.975 20 0 BDADMP C[NH+](C)C[C@@H]1C[NH+](CC2CC2)C[C@H]1C[NH+](C)C ZINC000877669548 590389134 /nfs/dbraw/zinc/38/91/34/590389134.db2.gz OBZSZFDCJQJIJZ-ZIAGYGMSSA-N 3 1 239.407 1.068 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877741280 590408259 /nfs/dbraw/zinc/40/82/59/590408259.db2.gz MKAOZVTZYPZFLU-IJLUTSLNSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877741280 590408250 /nfs/dbraw/zinc/40/82/50/590408250.db2.gz MKAOZVTZYPZFLU-IJLUTSLNSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877741280 590408255 /nfs/dbraw/zinc/40/82/55/590408255.db2.gz MKAOZVTZYPZFLU-IJLUTSLNSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)C1CC1 ZINC000877741385 590408627 /nfs/dbraw/zinc/40/86/27/590408627.db2.gz VLNLIRDDHFYOLF-MELADBBJSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C1CC1 ZINC000877741385 590408629 /nfs/dbraw/zinc/40/86/29/590408629.db2.gz VLNLIRDDHFYOLF-MELADBBJSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C1CC1 ZINC000877741385 590408632 /nfs/dbraw/zinc/40/86/32/590408632.db2.gz VLNLIRDDHFYOLF-MELADBBJSA-N 2 1 238.375 1.437 20 0 BDADMP CC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314458 590541056 /nfs/dbraw/zinc/54/10/56/590541056.db2.gz OTQZCXAJJWQYEX-UHFFFAOYSA-N 2 1 234.343 1.769 20 0 BDADMP CC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314458 590541057 /nfs/dbraw/zinc/54/10/57/590541057.db2.gz OTQZCXAJJWQYEX-UHFFFAOYSA-N 2 1 234.343 1.769 20 0 BDADMP COCC[N@@H+](CCCF)CC1CC[NH+](C)CC1 ZINC000879124817 590699335 /nfs/dbraw/zinc/69/93/35/590699335.db2.gz FBFNDEMJPMGARU-UHFFFAOYSA-N 2 1 246.370 1.636 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccccn3)CC[C@H]21 ZINC000879570066 590808028 /nfs/dbraw/zinc/80/80/28/590808028.db2.gz WZVGWYUUZXSQCB-DZGCQCFKSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccccn3)CC[C@H]21 ZINC000879570066 590808031 /nfs/dbraw/zinc/80/80/31/590808031.db2.gz WZVGWYUUZXSQCB-DZGCQCFKSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccccn3)CC[C@H]21 ZINC000879570066 590808032 /nfs/dbraw/zinc/80/80/32/590808032.db2.gz WZVGWYUUZXSQCB-DZGCQCFKSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccccn3)CC[C@H]21 ZINC000879570066 590808033 /nfs/dbraw/zinc/80/80/33/590808033.db2.gz WZVGWYUUZXSQCB-DZGCQCFKSA-N 2 1 245.370 1.650 20 0 BDADMP COC(CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879578194 590813875 /nfs/dbraw/zinc/81/38/75/590813875.db2.gz BSXFFIHMSLVRGP-RYUDHWBXSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879578194 590813879 /nfs/dbraw/zinc/81/38/79/590813879.db2.gz BSXFFIHMSLVRGP-RYUDHWBXSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000879578194 590813884 /nfs/dbraw/zinc/81/38/84/590813884.db2.gz BSXFFIHMSLVRGP-RYUDHWBXSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000879578194 590813886 /nfs/dbraw/zinc/81/38/86/590813886.db2.gz BSXFFIHMSLVRGP-RYUDHWBXSA-N 2 1 242.363 1.021 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCF)CC[C@H]21 ZINC000879577552 590815478 /nfs/dbraw/zinc/81/54/78/590815478.db2.gz YANASPRHYZRBCW-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCF)CC[C@H]21 ZINC000879577552 590815479 /nfs/dbraw/zinc/81/54/79/590815479.db2.gz YANASPRHYZRBCW-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCF)CC[C@H]21 ZINC000879577552 590815482 /nfs/dbraw/zinc/81/54/82/590815482.db2.gz YANASPRHYZRBCW-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC000879577552 590815484 /nfs/dbraw/zinc/81/54/84/590815484.db2.gz YANASPRHYZRBCW-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580864 590820126 /nfs/dbraw/zinc/82/01/26/590820126.db2.gz VDCBAHXXZBFNKK-BFHYXJOUSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580864 590820133 /nfs/dbraw/zinc/82/01/33/590820133.db2.gz VDCBAHXXZBFNKK-BFHYXJOUSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580864 590820135 /nfs/dbraw/zinc/82/01/35/590820135.db2.gz VDCBAHXXZBFNKK-BFHYXJOUSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880148322 590946211 /nfs/dbraw/zinc/94/62/11/590946211.db2.gz VNKYGAGQPGOQMO-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260028 590979612 /nfs/dbraw/zinc/97/96/12/590979612.db2.gz MJQUFRYTHVBLOG-STQMWFEESA-N 2 1 249.358 1.627 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000883261806 591600056 /nfs/dbraw/zinc/60/00/56/591600056.db2.gz NBRKPEBHVKVUNN-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP C=C/C=C\CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433834 591664052 /nfs/dbraw/zinc/66/40/52/591664052.db2.gz ZXWCKKWWQFIVJL-SCOBNMCVSA-N 2 1 206.333 1.947 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433834 591664056 /nfs/dbraw/zinc/66/40/56/591664056.db2.gz ZXWCKKWWQFIVJL-SCOBNMCVSA-N 2 1 206.333 1.947 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCCC[C@@H]1C[NH2+]C)C1CC1 ZINC000883450246 591671627 /nfs/dbraw/zinc/67/16/27/591671627.db2.gz HAIHMHQRKYNOJV-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@@H](C[N@H+]1CCCC[C@@H]1C[NH2+]C)C1CC1 ZINC000883450246 591671629 /nfs/dbraw/zinc/67/16/29/591671629.db2.gz HAIHMHQRKYNOJV-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459310 591673526 /nfs/dbraw/zinc/67/35/26/591673526.db2.gz RMOKKMCSTFZREA-UHFFFAOYSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCNCCC12CCC2 ZINC000883459310 591673528 /nfs/dbraw/zinc/67/35/28/591673528.db2.gz RMOKKMCSTFZREA-UHFFFAOYSA-N 2 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCNCCC12CCC2 ZINC000883459310 591673531 /nfs/dbraw/zinc/67/35/31/591673531.db2.gz RMOKKMCSTFZREA-UHFFFAOYSA-N 2 1 239.407 1.724 20 0 BDADMP COCC[NH2+]CCNc1cc[nH+]cc1Cl ZINC000215511115 591948603 /nfs/dbraw/zinc/94/86/03/591948603.db2.gz OETUGOGVIDCDEK-UHFFFAOYSA-N 2 1 229.711 1.383 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000886290415 592201855 /nfs/dbraw/zinc/20/18/55/592201855.db2.gz DQNINNXXBWNJMY-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[C@@H]([NH2+]CCC[NH+](C)C)c1cnn(C)c1 ZINC000886489514 592233987 /nfs/dbraw/zinc/23/39/87/592233987.db2.gz KNHPOZBPKAIJCX-CYBMUJFWSA-N 2 1 238.379 1.659 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886830523 592349675 /nfs/dbraw/zinc/34/96/75/592349675.db2.gz SOKYUUPGAYIJQU-RWMBFGLXSA-N 2 1 226.364 1.376 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886830522 592350600 /nfs/dbraw/zinc/35/06/00/592350600.db2.gz SOKYUUPGAYIJQU-FRRDWIJNSA-N 2 1 226.364 1.376 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886838384 592358654 /nfs/dbraw/zinc/35/86/54/592358654.db2.gz WOHIEHLOPGQCNB-MJBXVCDLSA-N 2 1 238.375 1.474 20 0 BDADMP C(C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)[C@@H]1CC[NH2+]C1 ZINC000886859947 592371213 /nfs/dbraw/zinc/37/12/13/592371213.db2.gz LNPSLCCICXHDMP-IHRRRGAJSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859989 592371607 /nfs/dbraw/zinc/37/16/07/592371607.db2.gz MTKZMKDEVHIIPC-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868080 592375000 /nfs/dbraw/zinc/37/50/00/592375000.db2.gz VHWQPADKYPMKOA-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CC(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131494 592449124 /nfs/dbraw/zinc/44/91/24/592449124.db2.gz ZBNKHOILCIUXTR-LBPRGKRZSA-N 2 1 247.342 1.571 20 0 BDADMP C[N@@H+](CCCCNC(=[NH2+])NCC(F)F)C1CC1 ZINC000887362163 592491361 /nfs/dbraw/zinc/49/13/61/592491361.db2.gz ZNCYVMRMJHOGTD-UHFFFAOYSA-N 2 1 248.321 1.240 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCCCO)CC[C@H]1[NH3+] ZINC000300333966 592507626 /nfs/dbraw/zinc/50/76/26/592507626.db2.gz VCHLNCUGOOMGCH-QWHCGFSZSA-N 2 1 228.380 1.598 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])NC(C)(C)C ZINC000223500346 592533751 /nfs/dbraw/zinc/53/37/51/592533751.db2.gz IJYBKYQIRWPHLZ-UHFFFAOYSA-N 2 1 228.384 1.631 20 0 BDADMP N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C12CCC2 ZINC000925706592 634390499 /nfs/dbraw/zinc/39/04/99/634390499.db2.gz MZYBUABYGGXULN-MRTXSQPYSA-N 2 1 249.402 1.234 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)O1 ZINC000925706771 634391068 /nfs/dbraw/zinc/39/10/68/634391068.db2.gz GKDBFGNSJMDBMW-UTUOFQBUSA-N 2 1 226.364 1.674 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NCCC1=CC[NH2+]CC1 ZINC000925707353 634394057 /nfs/dbraw/zinc/39/40/57/634394057.db2.gz PNMWRYZRECZELU-GFCCVEGCSA-N 2 1 223.364 1.026 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ncnn21 ZINC000925707632 634395728 /nfs/dbraw/zinc/39/57/28/634395728.db2.gz LZGPPPUIKABYSP-ZYHUDNBSSA-N 2 1 247.346 1.135 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ncnn21 ZINC000925707632 634395736 /nfs/dbraw/zinc/39/57/36/634395736.db2.gz LZGPPPUIKABYSP-ZYHUDNBSSA-N 2 1 247.346 1.135 20 0 BDADMP Cc1cncc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000925707614 634396046 /nfs/dbraw/zinc/39/60/46/634396046.db2.gz PHIKZXSIODPSLY-WCQYABFASA-N 2 1 234.347 1.058 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1(F)F ZINC000925707430 634396647 /nfs/dbraw/zinc/39/66/47/634396647.db2.gz JFKWZVYOEDMPHA-VHSXEESVSA-N 2 1 230.302 1.906 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000299917462 634401701 /nfs/dbraw/zinc/40/17/01/634401701.db2.gz UJEBMIZBUIFVCS-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925712322 634411694 /nfs/dbraw/zinc/41/16/94/634411694.db2.gz ORHPXEARSJQKKC-AEJSXWLSSA-N 2 1 214.378 1.611 20 0 BDADMP COC1CC(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925714754 634433934 /nfs/dbraw/zinc/43/39/34/634433934.db2.gz WCSJRRWVQGGUSU-XVSSEFHLSA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1COCC1(C)C ZINC000313075184 634448110 /nfs/dbraw/zinc/44/81/10/634448110.db2.gz ITVFBJXWSATILV-GFCCVEGCSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257708508 634477285 /nfs/dbraw/zinc/47/72/85/634477285.db2.gz NEAXZHIDEMPHGG-NWDGAFQWSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@H]1[NH3+] ZINC000313561039 634490742 /nfs/dbraw/zinc/49/07/42/634490742.db2.gz UFJSFHSBECHLDI-IACUBPJLSA-N 2 1 234.343 1.389 20 0 BDADMP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000313607584 634498373 /nfs/dbraw/zinc/49/83/73/634498373.db2.gz GVYHZQPEDCRLTQ-QLFBSQMISA-N 2 1 246.354 1.404 20 0 BDADMP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000313607584 634498375 /nfs/dbraw/zinc/49/83/75/634498375.db2.gz GVYHZQPEDCRLTQ-QLFBSQMISA-N 2 1 246.354 1.404 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC000311660148 635199901 /nfs/dbraw/zinc/19/99/01/635199901.db2.gz FYPDVVBHRKASPD-NSHDSACASA-N 2 1 223.320 1.333 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC000311660148 635199904 /nfs/dbraw/zinc/19/99/04/635199904.db2.gz FYPDVVBHRKASPD-NSHDSACASA-N 2 1 223.320 1.333 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C1CC1 ZINC000423320712 634585391 /nfs/dbraw/zinc/58/53/91/634585391.db2.gz MMEQIYBKUZQJMZ-WDEREUQCSA-N 2 1 220.320 1.114 20 0 BDADMP C[N@@H+](CCCCO)CC1CC[NH+](C)CC1 ZINC000063121309 635468276 /nfs/dbraw/zinc/46/82/76/635468276.db2.gz HNAHWUHJLMZXCT-UHFFFAOYSA-N 2 1 214.353 1.033 20 0 BDADMP CC(C)[NH+]1CCN(CCCCCCC[NH3+])CC1 ZINC000036190210 635494911 /nfs/dbraw/zinc/49/49/11/635494911.db2.gz YCAJWFVGPOKJQY-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840646 635506164 /nfs/dbraw/zinc/50/61/64/635506164.db2.gz NEQOZARMGZMRQS-BFHYXJOUSA-N 3 1 237.391 1.250 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000925857954 635548818 /nfs/dbraw/zinc/54/88/18/635548818.db2.gz NWPZRBXKIRNNGN-GHMZBOCLSA-N 2 1 237.347 1.696 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000925857955 635549288 /nfs/dbraw/zinc/54/92/88/635549288.db2.gz NWPZRBXKIRNNGN-MNOVXSKESA-N 2 1 237.347 1.696 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCCCCO ZINC000234366018 635554214 /nfs/dbraw/zinc/55/42/14/635554214.db2.gz PCXIPHHJEDZWTL-ZDUSSCGKSA-N 2 1 228.380 1.613 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCCCCO ZINC000234366018 635554218 /nfs/dbraw/zinc/55/42/18/635554218.db2.gz PCXIPHHJEDZWTL-ZDUSSCGKSA-N 2 1 228.380 1.613 20 0 BDADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000157434761 631348580 /nfs/dbraw/zinc/34/85/80/631348580.db2.gz NBUHZLGPWAINLL-MGPQQGTHSA-N 2 1 237.391 1.202 20 0 BDADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000157434761 631348586 /nfs/dbraw/zinc/34/85/86/631348586.db2.gz NBUHZLGPWAINLL-MGPQQGTHSA-N 3 1 237.391 1.202 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000157434761 631348589 /nfs/dbraw/zinc/34/85/89/631348589.db2.gz NBUHZLGPWAINLL-MGPQQGTHSA-N 3 1 237.391 1.202 20 0 BDADMP [NH3+][C@H](C[NH2+]Cc1cccs1)CC(F)F ZINC000308485982 631392354 /nfs/dbraw/zinc/39/23/54/631392354.db2.gz OFPGEVRQSITQIW-ZETCQYMHSA-N 2 1 220.288 1.820 20 0 BDADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(C)=O)C1 ZINC000176283733 631669870 /nfs/dbraw/zinc/66/98/70/631669870.db2.gz KBZVXSFEOBLSFU-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)=O)C1 ZINC000176283733 631669874 /nfs/dbraw/zinc/66/98/74/631669874.db2.gz KBZVXSFEOBLSFU-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(C)=O)C1 ZINC000176283733 631669879 /nfs/dbraw/zinc/66/98/79/631669879.db2.gz KBZVXSFEOBLSFU-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)=O)C1 ZINC000176283733 631669887 /nfs/dbraw/zinc/66/98/87/631669887.db2.gz KBZVXSFEOBLSFU-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cccnc2)CC[NH2+]1 ZINC000235366074 632028671 /nfs/dbraw/zinc/02/86/71/632028671.db2.gz ZRBXBSPSLCKLNR-CHWSQXEVSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000926450411 632068359 /nfs/dbraw/zinc/06/83/59/632068359.db2.gz MKNUWUZBHLGXJD-DEKYYXRVSA-N 2 1 249.358 1.528 20 0 BDADMP C[N@@H+](C[C@H](N)CC(F)F)CC1CC[NH+](C)CC1 ZINC000310374053 635760463 /nfs/dbraw/zinc/76/04/63/635760463.db2.gz OSSHEYRISKCUHA-LLVKDONJSA-N 2 1 249.349 1.243 20 0 BDADMP CN(C[C@H]([NH3+])CC(F)F)CC1CC[NH+](C)CC1 ZINC000310374053 635760471 /nfs/dbraw/zinc/76/04/71/635760471.db2.gz OSSHEYRISKCUHA-LLVKDONJSA-N 2 1 249.349 1.243 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCN1CCCCCC1 ZINC000089150315 632658398 /nfs/dbraw/zinc/65/83/98/632658398.db2.gz JACMSRULYNUOCA-UONOGXRCSA-N 2 1 239.407 1.579 20 0 BDADMP CCNC(NCC[N@H+]1CCC[C@H](C)C1)=[NH+]CC ZINC000066243428 632861607 /nfs/dbraw/zinc/86/16/07/632861607.db2.gz RAYIDTVGTAFJLP-LBPRGKRZSA-N 2 1 240.395 1.293 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000236258224 632904029 /nfs/dbraw/zinc/90/40/29/632904029.db2.gz VHURJCJISBHZCH-LBPRGKRZSA-N 2 1 214.353 1.210 20 0 BDADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000924574810 632942629 /nfs/dbraw/zinc/94/26/29/632942629.db2.gz GCESBBMEFFGGKV-KGLIPLIRSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000162815206 633039993 /nfs/dbraw/zinc/03/99/93/633039993.db2.gz AFGZYFQAJDRWLK-RYUDHWBXSA-N 2 1 234.343 1.832 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000162815206 633039995 /nfs/dbraw/zinc/03/99/95/633039995.db2.gz AFGZYFQAJDRWLK-RYUDHWBXSA-N 2 1 234.343 1.832 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926778735 633047656 /nfs/dbraw/zinc/04/76/56/633047656.db2.gz RWHYACPPHSGWIW-YNEHKIRRSA-N 2 1 226.364 1.221 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926778735 633047651 /nfs/dbraw/zinc/04/76/51/633047651.db2.gz RWHYACPPHSGWIW-YNEHKIRRSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CCNc1nccn2c[nH+]cc12)[NH+](C)C ZINC000894521578 635903904 /nfs/dbraw/zinc/90/39/04/635903904.db2.gz QTLGIFFHHUAEPA-JTQLQIEISA-N 2 1 233.319 1.481 20 0 BDADMP [NH3+]C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000306773812 635975459 /nfs/dbraw/zinc/97/54/59/635975459.db2.gz JEXPQDMQNYZUNO-QMMMGPOBSA-N 2 1 237.174 1.993 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328546028 633774585 /nfs/dbraw/zinc/77/45/85/633774585.db2.gz NHNBUTJCHWHBFB-XDSHMYFISA-N 2 1 249.402 1.057 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000312045129 633896361 /nfs/dbraw/zinc/89/63/61/633896361.db2.gz ULVTVDFVEJZBQG-KCJUWKMLSA-N 2 1 223.320 1.461 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000312045129 633896366 /nfs/dbraw/zinc/89/63/66/633896366.db2.gz ULVTVDFVEJZBQG-KCJUWKMLSA-N 2 1 223.320 1.461 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309983952 634028786 /nfs/dbraw/zinc/02/87/86/634028786.db2.gz YARCZRZJEUPNAY-HZSPNIEDSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309983952 634028790 /nfs/dbraw/zinc/02/87/90/634028790.db2.gz YARCZRZJEUPNAY-HZSPNIEDSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]([NH3+])[C@H](NC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000925563057 634043999 /nfs/dbraw/zinc/04/39/99/634043999.db2.gz AACJZCUQYCLISH-CFVMTHIKSA-N 2 1 247.386 1.759 20 0 BDADMP CC(C)(C)C[C@@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925616988 634163530 /nfs/dbraw/zinc/16/35/30/634163530.db2.gz OZAXQFIEPPHMER-RYUDHWBXSA-N 2 1 240.391 1.658 20 0 BDADMP CO[C@H](C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925645927 634201650 /nfs/dbraw/zinc/20/16/50/634201650.db2.gz RROXHJRMIPKJPL-MNOVXSKESA-N 2 1 212.337 1.286 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925675247 634261130 /nfs/dbraw/zinc/26/11/30/634261130.db2.gz MPAQEFNXKPKYSG-GHMZBOCLSA-N 2 1 212.337 1.142 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+]C1(C)C ZINC000925676479 634265937 /nfs/dbraw/zinc/26/59/37/634265937.db2.gz MIDDNORGERTOGV-QWHCGFSZSA-N 2 1 241.423 1.837 20 0 BDADMP OC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925677300 634267367 /nfs/dbraw/zinc/26/73/67/634267367.db2.gz SIZUXVDZQQNPGA-QWHCGFSZSA-N 2 1 238.375 1.412 20 0 BDADMP CCC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925678545 634275072 /nfs/dbraw/zinc/27/50/72/634275072.db2.gz FRWQTWXQQKFBBD-RYUDHWBXSA-N 2 1 226.364 1.676 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCn3ccnc32)C1 ZINC000925679977 634276015 /nfs/dbraw/zinc/27/60/15/634276015.db2.gz LZIVOBPJOFAGAS-UTUOFQBUSA-N 2 1 248.374 1.824 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000925683348 634288262 /nfs/dbraw/zinc/28/82/62/634288262.db2.gz PDDLHIHLBMMUPK-NWDGAFQWSA-N 2 1 244.354 1.483 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925692421 634325039 /nfs/dbraw/zinc/32/50/39/634325039.db2.gz KEWZFYPOOSXSCC-RVMXOQNASA-N 2 1 226.364 1.673 20 0 BDADMP C[NH+]1C[C@@]2(C)C[NH+](CC3CC3)C[C@]2(C)C1 ZINC000931312847 634330391 /nfs/dbraw/zinc/33/03/91/634330391.db2.gz ZDCGJAFUITVLLN-STQMWFEESA-N 2 1 208.349 1.670 20 0 BDADMP Cn1cnc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925693814 634331066 /nfs/dbraw/zinc/33/10/66/634331066.db2.gz MTOCDTVFUMEVMN-CYBMUJFWSA-N 2 1 248.374 1.227 20 0 BDADMP [NH3+]CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694366 634338653 /nfs/dbraw/zinc/33/86/53/634338653.db2.gz TXIGAAUBAKJCND-QWHCGFSZSA-N 3 1 225.380 1.093 20 0 BDADMP C(C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[NH2+]C1CC1 ZINC000925695338 634345629 /nfs/dbraw/zinc/34/56/29/634345629.db2.gz VTYCUGSSWVRHDG-YRGRVCCFSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@H]([NH3+])[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695350 634346684 /nfs/dbraw/zinc/34/66/84/634346684.db2.gz WAALFEVUCDRMHD-KCQAQPDRSA-N 2 1 247.386 1.664 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695350 634346690 /nfs/dbraw/zinc/34/66/90/634346690.db2.gz WAALFEVUCDRMHD-KCQAQPDRSA-N 3 1 247.386 1.664 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698738 634365390 /nfs/dbraw/zinc/36/53/90/634365390.db2.gz MCCATCNBDCUFAB-GMTAPVOTSA-N 3 1 213.369 1.077 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2CC[NH+]1CCCC1 ZINC000931622066 635132401 /nfs/dbraw/zinc/13/24/01/635132401.db2.gz ODOPUORFFQVQME-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@@H+](CCC[NH3+])CCc1cccc(F)c1 ZINC000258805191 635204937 /nfs/dbraw/zinc/20/49/37/635204937.db2.gz RVHRTHWCRJNLET-UHFFFAOYSA-N 2 1 210.296 1.649 20 0 BDADMP Cn1cnc2cc(C[NH2+][C@H]3CCC[C@H]3[NH3+])ccc21 ZINC000259102175 635241544 /nfs/dbraw/zinc/24/15/44/635241544.db2.gz SFTXVDHBYHCVBX-NEPJUHHUSA-N 2 1 244.342 1.543 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832889 635474737 /nfs/dbraw/zinc/47/47/37/635474737.db2.gz QPYOXJZUVMIMSF-AXTSPUMRSA-N 2 1 236.281 1.772 20 0 BDADMP COC[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000925873959 635595439 /nfs/dbraw/zinc/59/54/39/635595439.db2.gz OKYBTVZFEWIZFO-AVGNSLFASA-N 2 1 228.380 1.493 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(F)(F)F ZINC000925236612 636480470 /nfs/dbraw/zinc/48/04/70/636480470.db2.gz QLKMPSAPPNKEIJ-ULKQDVFKSA-N 2 1 236.281 1.869 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CCCc1ccsc1 ZINC000863567853 636718688 /nfs/dbraw/zinc/71/86/88/636718688.db2.gz HDQFTPBRUQZMDK-SNVBAGLBSA-N 2 1 212.362 1.960 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCc1ccsc1 ZINC000863567853 636718693 /nfs/dbraw/zinc/71/86/93/636718693.db2.gz HDQFTPBRUQZMDK-SNVBAGLBSA-N 2 1 212.362 1.960 20 0 BDADMP COC(OC)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000079584974 636859300 /nfs/dbraw/zinc/85/93/00/636859300.db2.gz LBDAJEODDKAVRF-YEJSDXFRSA-N 2 1 242.363 1.209 20 0 BDADMP COC(OC)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000079584974 636859301 /nfs/dbraw/zinc/85/93/01/636859301.db2.gz LBDAJEODDKAVRF-YEJSDXFRSA-N 2 1 242.363 1.209 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@@H]1CC)C[NH+](C)C ZINC000926958007 636970501 /nfs/dbraw/zinc/97/05/01/636970501.db2.gz DLNUDBIFUCLWEG-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](CC)C(C)C)C[NH+](C)C ZINC000926960720 636973387 /nfs/dbraw/zinc/97/33/87/636973387.db2.gz GZBNAEKCJCXUAO-STQMWFEESA-N 2 1 230.396 1.977 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](CC)C(C)C)C[NH+](C)C ZINC000926960719 636974360 /nfs/dbraw/zinc/97/43/60/636974360.db2.gz GZBNAEKCJCXUAO-QWHCGFSZSA-N 2 1 230.396 1.977 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924704274 637012507 /nfs/dbraw/zinc/01/25/07/637012507.db2.gz CLUPMFQMOFNFNM-NEPJUHHUSA-N 2 1 234.347 1.469 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924704274 637012515 /nfs/dbraw/zinc/01/25/15/637012515.db2.gz CLUPMFQMOFNFNM-NEPJUHHUSA-N 2 1 234.347 1.469 20 0 BDADMP CSC1CC([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000924717013 637029740 /nfs/dbraw/zinc/02/97/40/637029740.db2.gz KNLNEYNXHXSBLQ-HTAVTVPLSA-N 2 1 228.405 1.810 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2CCO)C1 ZINC000903463963 637364238 /nfs/dbraw/zinc/36/42/38/637364238.db2.gz UMTQPRWHOJNKRB-YNEHKIRRSA-N 2 1 226.364 1.351 20 0 BDADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903565380 637370632 /nfs/dbraw/zinc/37/06/32/637370632.db2.gz IOEFPVSRINWHQK-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903725092 637379105 /nfs/dbraw/zinc/37/91/05/637379105.db2.gz WKMDSPNGTQAONI-CQSZACIVSA-N 2 1 242.407 1.861 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722950 637379480 /nfs/dbraw/zinc/37/94/80/637379480.db2.gz QWQVROUTYHXAOZ-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722633 637379617 /nfs/dbraw/zinc/37/96/17/637379617.db2.gz BZNHIEZUUHRHLZ-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000903789452 637383384 /nfs/dbraw/zinc/38/33/84/637383384.db2.gz XIQYUJPLCIVBQN-MCIONIFRSA-N 3 1 239.407 1.293 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000903789065 637383429 /nfs/dbraw/zinc/38/34/29/637383429.db2.gz UBTUCISRMNKBBZ-POOIEITISA-N 2 1 210.365 1.949 20 0 BDADMP FCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903866424 637386139 /nfs/dbraw/zinc/38/61/39/637386139.db2.gz JAECZQIVWVILLM-LBPRGKRZSA-N 2 1 214.328 1.954 20 0 BDADMP FCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903866424 637386143 /nfs/dbraw/zinc/38/61/43/637386143.db2.gz JAECZQIVWVILLM-LBPRGKRZSA-N 2 1 214.328 1.954 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000904428941 637398628 /nfs/dbraw/zinc/39/86/28/637398628.db2.gz RQAGYPXMKSPNBS-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@]1(C[NH2+]Cc2cncc(O)c2)CCC[NH2+]C1 ZINC000904434287 637402028 /nfs/dbraw/zinc/40/20/28/637402028.db2.gz UQHWJFGBCCULFA-ZDUSSCGKSA-N 2 1 235.331 1.267 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000904450304 637416379 /nfs/dbraw/zinc/41/63/79/637416379.db2.gz RKFFTCZTYVYFSX-UHFFFAOYSA-N 2 1 242.269 1.869 20 0 BDADMP C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)C1=CC[N@@H+](C)CC1 ZINC000905202194 637693710 /nfs/dbraw/zinc/69/37/10/637693710.db2.gz GFVBYGGXPDCHNF-BXKDBHETSA-N 2 1 248.317 1.243 20 0 BDADMP CC[C@H]([NH2+]C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905309574 637766233 /nfs/dbraw/zinc/76/62/33/637766233.db2.gz YXCUIAAJQWAZTC-JTQLQIEISA-N 2 1 238.335 1.282 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000906508060 638178722 /nfs/dbraw/zinc/17/87/22/638178722.db2.gz JPYSLYFGCJVCKK-LJGSYFOKSA-N 2 1 216.737 1.981 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000906508370 638178868 /nfs/dbraw/zinc/17/88/68/638178868.db2.gz PNAUEAATGFTNGZ-MGCOHNPYSA-N 2 1 210.708 1.919 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000906508710 638180839 /nfs/dbraw/zinc/18/08/39/638180839.db2.gz VYUNRVVXOCQJKC-MGCOHNPYSA-N 2 1 237.372 1.990 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000906510034 638182221 /nfs/dbraw/zinc/18/22/21/638182221.db2.gz LINSSNYRAPNLPV-UHFFFAOYSA-N 2 1 248.326 1.427 20 0 BDADMP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000906584541 638220343 /nfs/dbraw/zinc/22/03/43/638220343.db2.gz PHXVZAUUSLJBMI-NEBZKDRISA-N 2 1 246.329 1.833 20 0 BDADMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000054626879 639116906 /nfs/dbraw/zinc/11/69/06/639116906.db2.gz LKZHXYPTMFZYCP-YHWZYXNKSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)O1 ZINC000149779902 639136067 /nfs/dbraw/zinc/13/60/67/639136067.db2.gz HBLFLKWNDHSNAF-XVSSEFHLSA-N 2 1 226.364 1.756 20 0 BDADMP C[C@@H](C1CC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904787 639977896 /nfs/dbraw/zinc/97/78/96/639977896.db2.gz VZUOLPCKWQLTRC-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H](C1CC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904787 639977901 /nfs/dbraw/zinc/97/79/01/639977901.db2.gz VZUOLPCKWQLTRC-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@H]21 ZINC000931280866 640132967 /nfs/dbraw/zinc/13/29/67/640132967.db2.gz LXZJNMDCQMSMRH-JEWKUQAESA-N 2 1 234.387 1.914 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@H]21 ZINC000931280866 640132973 /nfs/dbraw/zinc/13/29/73/640132973.db2.gz LXZJNMDCQMSMRH-JEWKUQAESA-N 2 1 234.387 1.914 20 0 BDADMP COCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931305303 640142119 /nfs/dbraw/zinc/14/21/19/640142119.db2.gz CMHPLSJGWXMMQU-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP COCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305304 640142161 /nfs/dbraw/zinc/14/21/61/640142161.db2.gz CMHPLSJGWXMMQU-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](C[C@H]3CCCO3)C[C@@]2(C)C1 ZINC000931305806 640144661 /nfs/dbraw/zinc/14/46/61/640144661.db2.gz DNKGIWCGHCJSLN-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000931347540 640165985 /nfs/dbraw/zinc/16/59/85/640165985.db2.gz AEXGBKAWLYCZMX-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCF)C[C@@H]2C1 ZINC000931438041 640203209 /nfs/dbraw/zinc/20/32/09/640203209.db2.gz YFBDVLDNONYOMW-MNOVXSKESA-N 2 1 200.301 1.230 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC000931438041 640203217 /nfs/dbraw/zinc/20/32/17/640203217.db2.gz YFBDVLDNONYOMW-MNOVXSKESA-N 2 1 200.301 1.230 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC000931438041 640203222 /nfs/dbraw/zinc/20/32/22/640203222.db2.gz YFBDVLDNONYOMW-MNOVXSKESA-N 2 1 200.301 1.230 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442124 640205511 /nfs/dbraw/zinc/20/55/11/640205511.db2.gz VLCFXRWZLTUUQN-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442124 640205514 /nfs/dbraw/zinc/20/55/14/640205514.db2.gz VLCFXRWZLTUUQN-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442124 640205517 /nfs/dbraw/zinc/20/55/17/640205517.db2.gz VLCFXRWZLTUUQN-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP Cc1cnccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931441577 640205598 /nfs/dbraw/zinc/20/55/98/640205598.db2.gz KOFYLMFSWPZFEA-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931441577 640205599 /nfs/dbraw/zinc/20/55/99/640205599.db2.gz KOFYLMFSWPZFEA-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931441577 640205601 /nfs/dbraw/zinc/20/56/01/640205601.db2.gz KOFYLMFSWPZFEA-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440645 640206674 /nfs/dbraw/zinc/20/66/74/640206674.db2.gz ZKMBCMAUDUTMGS-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP COCCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440645 640206680 /nfs/dbraw/zinc/20/66/80/640206680.db2.gz ZKMBCMAUDUTMGS-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP COCCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440645 640206681 /nfs/dbraw/zinc/20/66/81/640206681.db2.gz ZKMBCMAUDUTMGS-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC000931440665 640207955 /nfs/dbraw/zinc/20/79/55/640207955.db2.gz WGTZHMJZTYNIFE-RWMBFGLXSA-N 2 1 249.358 1.928 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC000931440665 640207957 /nfs/dbraw/zinc/20/79/57/640207957.db2.gz WGTZHMJZTYNIFE-RWMBFGLXSA-N 2 1 249.358 1.928 20 0 BDADMP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)o1 ZINC000931440665 640207958 /nfs/dbraw/zinc/20/79/58/640207958.db2.gz WGTZHMJZTYNIFE-RWMBFGLXSA-N 2 1 249.358 1.928 20 0 BDADMP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)o1 ZINC000931440665 640207960 /nfs/dbraw/zinc/20/79/60/640207960.db2.gz WGTZHMJZTYNIFE-RWMBFGLXSA-N 2 1 249.358 1.928 20 0 BDADMP Nc1ccnc2c1C[N@@H+](CC1(O)CCCC1)CC2 ZINC000931511937 640244132 /nfs/dbraw/zinc/24/41/32/640244132.db2.gz DKWZDMJOJXXFMY-UHFFFAOYSA-N 2 1 247.342 1.327 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](CC1(O)CCCC1)CC2 ZINC000931511937 640244146 /nfs/dbraw/zinc/24/41/46/640244146.db2.gz DKWZDMJOJXXFMY-UHFFFAOYSA-N 2 1 247.342 1.327 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1CC1 ZINC000931719071 640334777 /nfs/dbraw/zinc/33/47/77/640334777.db2.gz HXVGBXONAFSZER-QWHCGFSZSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1CC1 ZINC000931719071 640334780 /nfs/dbraw/zinc/33/47/80/640334780.db2.gz HXVGBXONAFSZER-QWHCGFSZSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC1CC1 ZINC000931719071 640334783 /nfs/dbraw/zinc/33/47/83/640334783.db2.gz HXVGBXONAFSZER-QWHCGFSZSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1CC1 ZINC000931719071 640334786 /nfs/dbraw/zinc/33/47/86/640334786.db2.gz HXVGBXONAFSZER-QWHCGFSZSA-N 2 1 208.349 1.955 20 0 BDADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CCCOC1 ZINC000931724886 640338595 /nfs/dbraw/zinc/33/85/95/640338595.db2.gz KFJSNLUOBBHNSW-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000932348973 640489709 /nfs/dbraw/zinc/48/97/09/640489709.db2.gz CWLZMKAEWZITGZ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222962258 640520814 /nfs/dbraw/zinc/52/08/14/640520814.db2.gz PSQJLECAXLHYHP-MCIONIFRSA-N 2 1 241.423 1.822 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCSC1 ZINC000224621949 640630192 /nfs/dbraw/zinc/63/01/92/640630192.db2.gz IXLJKJWLZKRZTF-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H](C[NH2+]Cc1cccnc1)C[NH+]1CCCC1 ZINC000057994216 640658634 /nfs/dbraw/zinc/65/86/34/640658634.db2.gz CHEVWEJYBHYRRP-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@]2(C)C1 ZINC000933741583 640757170 /nfs/dbraw/zinc/75/71/70/640757170.db2.gz XQPGNPKFWUPMJS-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@]2(C)C1 ZINC000933741583 640757173 /nfs/dbraw/zinc/75/71/73/640757173.db2.gz XQPGNPKFWUPMJS-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@]2(C)C1 ZINC000933741583 640757178 /nfs/dbraw/zinc/75/71/78/640757178.db2.gz XQPGNPKFWUPMJS-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP CC[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000933734477 640757338 /nfs/dbraw/zinc/75/73/38/640757338.db2.gz TZTNIYBNPTYWQI-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000933734477 640757343 /nfs/dbraw/zinc/75/73/43/640757343.db2.gz TZTNIYBNPTYWQI-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000933734477 640757349 /nfs/dbraw/zinc/75/73/49/640757349.db2.gz TZTNIYBNPTYWQI-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000226422547 640762818 /nfs/dbraw/zinc/76/28/18/640762818.db2.gz LKLUOWMHUZADJF-YPMHNXCESA-N 2 1 236.363 1.022 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCCO ZINC000227257736 640822439 /nfs/dbraw/zinc/82/24/39/640822439.db2.gz VQFBFKWTHTVWJW-NWDGAFQWSA-N 2 1 214.353 1.351 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000229255351 640940215 /nfs/dbraw/zinc/94/02/15/640940215.db2.gz FGXJMZWAERCDLY-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000230313958 641045858 /nfs/dbraw/zinc/04/58/58/641045858.db2.gz UJEBMIZBUIFVCS-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP Cn1cc(CC[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000230774832 641093102 /nfs/dbraw/zinc/09/31/02/641093102.db2.gz IJZGXGRXAAFFIR-GFCCVEGCSA-N 2 1 236.363 1.023 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862496 641101526 /nfs/dbraw/zinc/10/15/26/641101526.db2.gz RPHNSGDJAUULST-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779340191 641189269 /nfs/dbraw/zinc/18/92/69/641189269.db2.gz HJKHRHKHGBTXJA-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP Cc1noc(C)c1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671005 641192712 /nfs/dbraw/zinc/19/27/12/641192712.db2.gz FCLPNGNOPQTBQA-GFCCVEGCSA-N 2 1 237.347 1.865 20 0 BDADMP Cc1noc(C)c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671005 641192715 /nfs/dbraw/zinc/19/27/15/641192715.db2.gz FCLPNGNOPQTBQA-GFCCVEGCSA-N 2 1 237.347 1.865 20 0 BDADMP C[C@@H]1CC=CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000934620485 641218313 /nfs/dbraw/zinc/21/83/13/641218313.db2.gz XECBICBGOVSLQJ-DGCLKSJQSA-N 2 1 219.332 1.907 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)CC[C@@H]1[NH3+] ZINC000232121860 641242351 /nfs/dbraw/zinc/24/23/51/641242351.db2.gz PPNUBXAHVAWBPK-XBFCOCLRSA-N 2 1 240.391 1.597 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H](O)CC1CCCC1 ZINC000232148807 641249549 /nfs/dbraw/zinc/24/95/49/641249549.db2.gz NFNUGZYOSVYTMP-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000090079516 641696053 /nfs/dbraw/zinc/69/60/53/641696053.db2.gz FRUWOLCPYSGRER-RDBSUJKOSA-N 2 1 238.375 1.364 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000032009952 641706954 /nfs/dbraw/zinc/70/69/54/641706954.db2.gz NOIHJEXVAYIGOR-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723468311 711512342 /nfs/dbraw/zinc/51/23/42/711512342.db2.gz HMZKEASJLDPVPA-KXUCPTDWSA-N 2 1 220.307 1.947 20 0 BDADMP C[NH+](C)CCSC[C@@H]1CCC[N@H+]1C ZINC000917193753 642028850 /nfs/dbraw/zinc/02/88/50/642028850.db2.gz LDYYVQIRIJKRTQ-JTQLQIEISA-N 2 1 202.367 1.375 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723571976 711518439 /nfs/dbraw/zinc/51/84/39/711518439.db2.gz DLLXNIISXKLGBZ-TZMCWYRMSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723571976 711518442 /nfs/dbraw/zinc/51/84/42/711518442.db2.gz DLLXNIISXKLGBZ-TZMCWYRMSA-N 2 1 238.375 1.365 20 0 BDADMP CCC[C@@H](C)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405832176 642500065 /nfs/dbraw/zinc/50/00/65/642500065.db2.gz BHRWICXSWOPPTF-JHJVBQTASA-N 2 1 228.380 1.718 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000233785800 642694134 /nfs/dbraw/zinc/69/41/34/642694134.db2.gz UXIVBGHEQRTYRI-QJPTWQEYSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915235 642711485 /nfs/dbraw/zinc/71/14/85/642711485.db2.gz FUSYZYKRNSWOFM-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420396395 642722840 /nfs/dbraw/zinc/72/28/40/642722840.db2.gz DEPZVBXHJHCSKG-AWEZNQCLSA-N 2 1 248.374 1.410 20 0 BDADMP COCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420403274 642725174 /nfs/dbraw/zinc/72/51/74/642725174.db2.gz MZRCSISWZPCTAU-ZDUSSCGKSA-N 2 1 226.364 1.631 20 0 BDADMP COCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420403274 642725180 /nfs/dbraw/zinc/72/51/80/642725180.db2.gz MZRCSISWZPCTAU-ZDUSSCGKSA-N 2 1 226.364 1.631 20 0 BDADMP COCCOCC[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000070480560 643030129 /nfs/dbraw/zinc/03/01/29/643030129.db2.gz OMSPFDVSAGZPTC-UHFFFAOYSA-N 2 1 244.379 1.243 20 0 BDADMP COCCOCC[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000070480560 643030135 /nfs/dbraw/zinc/03/01/35/643030135.db2.gz OMSPFDVSAGZPTC-UHFFFAOYSA-N 2 1 244.379 1.243 20 0 BDADMP CCCc1[nH+]ccn1CCC[NH2+]C1CC1 ZINC000070535654 643035883 /nfs/dbraw/zinc/03/58/83/643035883.db2.gz ZSLUAGUWBKXRQU-UHFFFAOYSA-N 2 1 207.321 1.978 20 0 BDADMP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)CC1(C)C ZINC000082478059 643319183 /nfs/dbraw/zinc/31/91/83/643319183.db2.gz QJQDQOJJTPQRNI-UHFFFAOYSA-N 2 1 227.396 1.401 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 ZINC000082485464 643320963 /nfs/dbraw/zinc/32/09/63/643320963.db2.gz XVIXYQYWJITSHT-GFCCVEGCSA-N 2 1 227.396 1.386 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1CCCOC1 ZINC000082544462 643340160 /nfs/dbraw/zinc/34/01/60/643340160.db2.gz QBDFFJORBSMJFT-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]([NH2+]CCCCCC[NH3+])[C@H]1CCCCN1 ZINC000843344397 643343965 /nfs/dbraw/zinc/34/39/65/643343965.db2.gz YYBXALKYEBPCJM-QWHCGFSZSA-N 2 1 227.396 1.626 20 0 BDADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH2+]C1CC1 ZINC000082598212 643354131 /nfs/dbraw/zinc/35/41/31/643354131.db2.gz NFYJWIGQIBQAQK-FUNVUKJBSA-N 2 1 224.348 1.116 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])N(CC)CC ZINC000083052929 643403908 /nfs/dbraw/zinc/40/39/08/643403908.db2.gz ZOGZLGYLEWAHGZ-UHFFFAOYSA-N 2 1 228.384 1.375 20 0 BDADMP C1SCC1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000307279701 643428666 /nfs/dbraw/zinc/42/86/66/643428666.db2.gz XPJCZGMMLGDIPQ-MWLCHTKSSA-N 2 1 212.362 1.318 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCOC1 ZINC000085015965 643678579 /nfs/dbraw/zinc/67/85/79/643678579.db2.gz KTHNHDMOEJDSFY-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)S1 ZINC000085016071 643681270 /nfs/dbraw/zinc/68/12/70/643681270.db2.gz XHFGPQMUOBLBCM-KXNHARMFSA-N 2 1 228.405 1.940 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000050368959 643691108 /nfs/dbraw/zinc/69/11/08/643691108.db2.gz XDXCGSTYULHONR-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H](CC[NH2+]Cc1cnn(CCF)c1)[NH+](C)C ZINC000922253803 643923449 /nfs/dbraw/zinc/92/34/49/643923449.db2.gz FACRMCQMPNDRTN-LLVKDONJSA-N 2 1 242.342 1.282 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000923279389 644311660 /nfs/dbraw/zinc/31/16/60/644311660.db2.gz NDDUJZBGXANQKP-MELADBBJSA-N 2 1 242.407 1.985 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000923279389 644311667 /nfs/dbraw/zinc/31/16/67/644311667.db2.gz NDDUJZBGXANQKP-MELADBBJSA-N 2 1 242.407 1.985 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000923280938 644314964 /nfs/dbraw/zinc/31/49/64/644314964.db2.gz KHKGPZYFMKSRQK-ZWNOBZJWSA-N 2 1 238.306 1.140 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000923291429 644318012 /nfs/dbraw/zinc/31/80/12/644318012.db2.gz SGYSPEZMXQWBAF-BPLDGKMQSA-N 2 1 248.370 1.259 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000923286846 644320436 /nfs/dbraw/zinc/32/04/36/644320436.db2.gz ARGXGGDRKJTYEO-VHDGCEQUSA-N 2 1 248.370 1.698 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923287385 644321308 /nfs/dbraw/zinc/32/13/08/644321308.db2.gz DROOUVPBZRZJJV-AGIUHOORSA-N 2 1 228.380 1.453 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923289792 644322279 /nfs/dbraw/zinc/32/22/79/644322279.db2.gz LZJFASCAHNUPAJ-MELADBBJSA-N 2 1 242.407 1.987 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923288748 644323388 /nfs/dbraw/zinc/32/33/88/644323388.db2.gz CEFJUKNVQGSCEX-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000923290969 644327418 /nfs/dbraw/zinc/32/74/18/644327418.db2.gz PSNHWMXEMYKGLG-HIFRSBDPSA-N 2 1 248.370 1.570 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)C1CCC([NH3+])CC1 ZINC000923294743 644333295 /nfs/dbraw/zinc/33/32/95/644333295.db2.gz OURVOAHPYYGPAJ-UHFFFAOYSA-N 3 1 225.380 1.330 20 0 BDADMP CSC[C@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923298009 644334856 /nfs/dbraw/zinc/33/48/56/644334856.db2.gz QUJBUBJLUCCOFM-MNOVXSKESA-N 2 1 234.409 1.016 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317929 644342852 /nfs/dbraw/zinc/34/28/52/644342852.db2.gz HEORFABTWMTCKF-GRYCIOLGSA-N 2 1 224.348 1.238 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000923331338 644347510 /nfs/dbraw/zinc/34/75/10/644347510.db2.gz FYIHATPMNQEJSM-ZMLRMANQSA-N 2 1 235.331 1.406 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000923331338 644347513 /nfs/dbraw/zinc/34/75/13/644347513.db2.gz FYIHATPMNQEJSM-ZMLRMANQSA-N 2 1 235.331 1.406 20 0 BDADMP CC(C)(C)C[N@@H+](CCCO)CCC[NH2+]C1CC1 ZINC000923311818 644347566 /nfs/dbraw/zinc/34/75/66/644347566.db2.gz YBISSNBTIULUBU-UHFFFAOYSA-N 2 1 242.407 1.859 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000923330773 644348771 /nfs/dbraw/zinc/34/87/71/644348771.db2.gz IOCNDTFWJVXEMD-AEGPPILISA-N 2 1 248.370 1.698 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333862 644353602 /nfs/dbraw/zinc/35/36/02/644353602.db2.gz YMHSPJZXRXWRQT-MJBXVCDLSA-N 2 1 242.407 1.987 20 0 BDADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923331925 644360787 /nfs/dbraw/zinc/36/07/87/644360787.db2.gz JKADCPABCDQIHT-CYZMBNFOSA-N 2 1 249.358 1.715 20 0 BDADMP CCc1onc(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000923346286 644364834 /nfs/dbraw/zinc/36/48/34/644364834.db2.gz OURDAJQUJGZCEY-UHFFFAOYSA-N 2 1 237.347 1.859 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923366202 644377880 /nfs/dbraw/zinc/37/78/80/644377880.db2.gz KXQXNEFRXHFIFV-RWMBFGLXSA-N 2 1 228.380 1.597 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000923366202 644377884 /nfs/dbraw/zinc/37/78/84/644377884.db2.gz KXQXNEFRXHFIFV-RWMBFGLXSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@@H]1CN(CCC[NH2+]C2CC2)[C@@H](C)C[N@H+]1C ZINC000923370157 644382310 /nfs/dbraw/zinc/38/23/10/644382310.db2.gz DDXCQLFFDCPWIV-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923373349 644388507 /nfs/dbraw/zinc/38/85/07/644388507.db2.gz MXHPYMONWYVEEY-JHJVBQTASA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1CCCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923373606 644390237 /nfs/dbraw/zinc/39/02/37/644390237.db2.gz QNQRPPLTVMODPN-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000923376575 644392373 /nfs/dbraw/zinc/39/23/73/644392373.db2.gz ZCKHKLJHHQTUMO-GHMZBOCLSA-N 2 1 237.347 1.654 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000923376575 644392378 /nfs/dbraw/zinc/39/23/78/644392378.db2.gz ZCKHKLJHHQTUMO-GHMZBOCLSA-N 2 1 237.347 1.654 20 0 BDADMP CSC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000923383488 644395950 /nfs/dbraw/zinc/39/59/50/644395950.db2.gz SIJNEXYYHQEOHL-WHOHXGKFSA-N 2 1 246.420 1.016 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)CCc1ccccc1 ZINC000923408605 644412216 /nfs/dbraw/zinc/41/22/16/644412216.db2.gz DJNUTEMOLMMKSL-TZMCWYRMSA-N 2 1 236.359 1.259 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)CCc1ccccc1 ZINC000923408605 644412221 /nfs/dbraw/zinc/41/22/21/644412221.db2.gz DJNUTEMOLMMKSL-TZMCWYRMSA-N 2 1 236.359 1.259 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923412207 644413416 /nfs/dbraw/zinc/41/34/16/644413416.db2.gz PZJAPHYWROQKOE-ZIAGYGMSSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923412207 644413419 /nfs/dbraw/zinc/41/34/19/644413419.db2.gz PZJAPHYWROQKOE-ZIAGYGMSSA-N 2 1 242.407 1.987 20 0 BDADMP CCc1onc(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923412269 644413571 /nfs/dbraw/zinc/41/35/71/644413571.db2.gz QQRNKRCQTKOHDP-GXSJLCMTSA-N 2 1 237.347 1.572 20 0 BDADMP C/C=C\C[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413612 644415583 /nfs/dbraw/zinc/41/55/83/644415583.db2.gz WGRMDSWATWPQKN-UOVDFCGCSA-N 2 1 238.375 1.515 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000923413877 644416438 /nfs/dbraw/zinc/41/64/38/644416438.db2.gz JJPKBRQHAATNIF-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923420123 644425387 /nfs/dbraw/zinc/42/53/87/644425387.db2.gz GLNNKOFSCPGVTO-RYUDHWBXSA-N 2 1 237.347 1.761 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(CCC[NH2+]C3CC3)[C@@H]2C1 ZINC000923432673 644426361 /nfs/dbraw/zinc/42/63/61/644426361.db2.gz PAAVEXXDZXSPNE-TZMCWYRMSA-N 2 1 237.391 1.155 20 0 BDADMP C(CC1CC1)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454590 644444382 /nfs/dbraw/zinc/44/43/82/644444382.db2.gz LQTCJMWGXGVYEF-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C(CC1CC1)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454590 644444386 /nfs/dbraw/zinc/44/43/86/644444386.db2.gz LQTCJMWGXGVYEF-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP OCCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923462175 644445273 /nfs/dbraw/zinc/44/52/73/644445273.db2.gz LPCVHVCDDBDOCV-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP OCCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923462175 644445275 /nfs/dbraw/zinc/44/52/75/644445275.db2.gz LPCVHVCDDBDOCV-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000923481920 644460390 /nfs/dbraw/zinc/46/03/90/644460390.db2.gz VBIBLUPDHIFARZ-SNVBAGLBSA-N 2 1 235.331 1.723 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000923482233 644460514 /nfs/dbraw/zinc/46/05/14/644460514.db2.gz XVWXWEGMZCIVTJ-QWRGUYRKSA-N 2 1 223.320 1.715 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC000923489848 644464940 /nfs/dbraw/zinc/46/49/40/644464940.db2.gz MECNTGHIISYAEK-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)nn1 ZINC000923490566 644465697 /nfs/dbraw/zinc/46/56/97/644465697.db2.gz DNLNAHJCOMEJAH-GXFFZTMASA-N 2 1 248.374 1.510 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923490505 644465822 /nfs/dbraw/zinc/46/58/22/644465822.db2.gz NYRWGTZHCLTXRK-SKDRFNHKSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1csc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086403411 644466886 /nfs/dbraw/zinc/46/68/86/644466886.db2.gz XMLNTMFRJVPMPL-VHSXEESVSA-N 2 1 225.361 1.811 20 0 BDADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)on1 ZINC000923492922 644467852 /nfs/dbraw/zinc/46/78/52/644467852.db2.gz ZMHBXMOQILXSKJ-NXEZZACHSA-N 2 1 239.319 1.100 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923501993 644469578 /nfs/dbraw/zinc/46/95/78/644469578.db2.gz VFHCPKDVZLWQPY-WCQYABFASA-N 2 1 219.332 1.498 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1C[NH3+] ZINC000923499462 644472544 /nfs/dbraw/zinc/47/25/44/644472544.db2.gz KZHAQRZULDTPCC-RYUDHWBXSA-N 2 1 219.332 1.498 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1C[NH3+] ZINC000923500776 644473549 /nfs/dbraw/zinc/47/35/49/644473549.db2.gz PBPZDPRCDLLGEX-UWVGGRQHSA-N 2 1 209.293 1.091 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923500303 644473640 /nfs/dbraw/zinc/47/36/40/644473640.db2.gz NHVRKPULMVTGSL-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cccnc2)CC[C@H]1C[NH3+] ZINC000923500256 644473975 /nfs/dbraw/zinc/47/39/75/644473975.db2.gz MWNHBKZQTJTHKP-JSGCOSHPSA-N 2 1 233.359 1.541 20 0 BDADMP CCSCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500922 644475168 /nfs/dbraw/zinc/47/51/68/644475168.db2.gz RXVCPKWUQUUORN-QWRGUYRKSA-N 2 1 216.394 1.656 20 0 BDADMP FC1(F)CC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923516346 644479790 /nfs/dbraw/zinc/47/97/90/644479790.db2.gz ZXQTXKQBNJICBD-GRYCIOLGSA-N 2 1 244.329 1.963 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518931 644484081 /nfs/dbraw/zinc/48/40/81/644484081.db2.gz GPCHZPBIEYXSJL-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP COC1CC(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923531636 644487204 /nfs/dbraw/zinc/48/72/04/644487204.db2.gz UHTVCSQATCYPBE-JXQTWKCFSA-N 2 1 238.375 1.629 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923531636 644487206 /nfs/dbraw/zinc/48/72/06/644487206.db2.gz UHTVCSQATCYPBE-JXQTWKCFSA-N 2 1 238.375 1.629 20 0 BDADMP COC[C@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000923557009 644500743 /nfs/dbraw/zinc/50/07/43/644500743.db2.gz IXPVYJOPMVLMPI-ZDUSSCGKSA-N 2 1 244.379 1.243 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248886216 644703885 /nfs/dbraw/zinc/70/38/85/644703885.db2.gz MEXJAPOOADEFHW-QWHCGFSZSA-N 2 1 224.348 1.563 20 0 BDADMP OC[C@@]12C[C@@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000782602298 644742647 /nfs/dbraw/zinc/74/26/47/644742647.db2.gz BOYOWEAKERUAFF-KGLIPLIRSA-N 2 1 238.375 1.177 20 0 BDADMP OC[C@@]12C[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000782602298 644742652 /nfs/dbraw/zinc/74/26/52/644742652.db2.gz BOYOWEAKERUAFF-KGLIPLIRSA-N 2 1 238.375 1.177 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249952148 644745123 /nfs/dbraw/zinc/74/51/23/644745123.db2.gz ACHTYNPLBYCOLM-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250388679 644756302 /nfs/dbraw/zinc/75/63/02/644756302.db2.gz KOMBDRFDMLUDRU-FKJOKYEKSA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000250598270 644769269 /nfs/dbraw/zinc/76/92/69/644769269.db2.gz JHMUZKBZONZGNM-YEKKKDRXSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccs2)CC[C@H]1[NH3+] ZINC000251891184 644830196 /nfs/dbraw/zinc/83/01/96/644830196.db2.gz VPECSFKSULBOID-ZYHUDNBSSA-N 2 1 224.373 1.960 20 0 BDADMP Cc1cccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000252556253 644864434 /nfs/dbraw/zinc/86/44/34/644864434.db2.gz SSXWEFWJQSZLKR-STQMWFEESA-N 2 1 247.342 1.665 20 0 BDADMP Cc1cccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000252556253 644864438 /nfs/dbraw/zinc/86/44/38/644864438.db2.gz SSXWEFWJQSZLKR-STQMWFEESA-N 2 1 247.342 1.665 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(CO)CC1 ZINC000926534688 645260352 /nfs/dbraw/zinc/26/03/52/645260352.db2.gz HDMUYJPQGLJYGO-FUNVUKJBSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)CO ZINC000926561015 645265315 /nfs/dbraw/zinc/26/53/15/645265315.db2.gz WFJCDYSRTADETK-GFCCVEGCSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1COC[C@H]1C ZINC000926644648 645332233 /nfs/dbraw/zinc/33/22/33/645332233.db2.gz IAIJHHBJMKQQJP-OLZOCXBDSA-N 2 1 228.380 1.589 20 0 BDADMP C/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926771099 645416570 /nfs/dbraw/zinc/41/65/70/645416570.db2.gz YVTCGJGKYCVXCC-RXVMTUIBSA-N 2 1 238.375 1.794 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487226 645463847 /nfs/dbraw/zinc/46/38/47/645463847.db2.gz LYJLVFDMTFCKSB-FVCCEPFGSA-N 2 1 237.391 1.057 20 0 BDADMP CN1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487226 645463852 /nfs/dbraw/zinc/46/38/52/645463852.db2.gz LYJLVFDMTFCKSB-FVCCEPFGSA-N 2 1 237.391 1.057 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)C(C)(C)C)C[NH+](C)C ZINC000926960660 645498249 /nfs/dbraw/zinc/49/82/49/645498249.db2.gz GCCKODHCKUOWKQ-VXGBXAGGSA-N 2 1 230.396 1.977 20 0 BDADMP CCO[C@@H](C[NH2+]C1CC(OCC)C1)C[NH+](C)C ZINC000926963855 645502053 /nfs/dbraw/zinc/50/20/53/645502053.db2.gz VLCQSBLECRFHJW-BPCQOVAHSA-N 2 1 244.379 1.110 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccccn1 ZINC000925490874 645536929 /nfs/dbraw/zinc/53/69/29/645536929.db2.gz HNVSHKYANKURLV-GFCCVEGCSA-N 2 1 219.332 1.354 20 0 BDADMP C[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CC2)CC1 ZINC000927161287 645581240 /nfs/dbraw/zinc/58/12/40/645581240.db2.gz GVNKBQOZRPCGLZ-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1nc(F)ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000857782749 645666594 /nfs/dbraw/zinc/66/65/94/645666594.db2.gz CBHGRINVLZRNNO-UHFFFAOYSA-N 2 1 248.305 1.595 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccnc(F)c1 ZINC000858116473 645671071 /nfs/dbraw/zinc/67/10/71/645671071.db2.gz STEXURAKYNVPPK-JTQLQIEISA-N 2 1 225.311 1.651 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886839259 645891397 /nfs/dbraw/zinc/89/13/97/645891397.db2.gz ABIZVKMYOZGQJP-NTZNESFSSA-N 2 1 226.364 1.376 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000924618380 646078924 /nfs/dbraw/zinc/07/89/24/646078924.db2.gz ZAUFOGGWBJAGIW-LBPRGKRZSA-N 2 1 230.396 1.713 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924616681 646079232 /nfs/dbraw/zinc/07/92/32/646079232.db2.gz FMJDBTJEFXCBFB-CHWSQXEVSA-N 2 1 242.407 1.977 20 0 BDADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1N[C@@H]1C[NH+]2C[C@@H]1CCC2 ZINC000924682858 646090735 /nfs/dbraw/zinc/09/07/35/646090735.db2.gz XXTQTIRXPCXCSC-XQLPTFJDSA-N 2 1 249.402 1.297 20 0 BDADMP C1C[N@H+]2CCCC[C@H]2[C@H]1N[C@@H]1C[NH+]2C[C@@H]1CCC2 ZINC000924682858 646090737 /nfs/dbraw/zinc/09/07/37/646090737.db2.gz XXTQTIRXPCXCSC-XQLPTFJDSA-N 2 1 249.402 1.297 20 0 BDADMP C1C[NH+]2CCCC[C@H]2[C@H]1N[C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924682858 646090742 /nfs/dbraw/zinc/09/07/42/646090742.db2.gz XXTQTIRXPCXCSC-XQLPTFJDSA-N 2 1 249.402 1.297 20 0 BDADMP C1C[NH+]2CCCC[C@H]2[C@H]1N[C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924682858 646090744 /nfs/dbraw/zinc/09/07/44/646090744.db2.gz XXTQTIRXPCXCSC-XQLPTFJDSA-N 2 1 249.402 1.297 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000924697318 646091322 /nfs/dbraw/zinc/09/13/22/646091322.db2.gz KTERKOAZRBAXJX-AVGNSLFASA-N 2 1 240.391 1.610 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccnnc1 ZINC000924711596 646094177 /nfs/dbraw/zinc/09/41/77/646094177.db2.gz COYMTALQEFZEPH-NSHDSACASA-N 2 1 245.330 1.722 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[NH+]2C[C@@H]1CCC2 ZINC000924916455 646132244 /nfs/dbraw/zinc/13/22/44/646132244.db2.gz LPLUWQDXKSKKHJ-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924916455 646132246 /nfs/dbraw/zinc/13/22/46/646132246.db2.gz LPLUWQDXKSKKHJ-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924916455 646132250 /nfs/dbraw/zinc/13/22/50/646132250.db2.gz LPLUWQDXKSKKHJ-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000925012809 646158696 /nfs/dbraw/zinc/15/86/96/646158696.db2.gz WQYVNWMURXQGKN-UPJWGTAASA-N 2 1 240.391 1.589 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC000929637483 646214621 /nfs/dbraw/zinc/21/46/21/646214621.db2.gz JKGNISPOLGOYAY-LLVKDONJSA-N 2 1 239.388 1.569 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000929637483 646214629 /nfs/dbraw/zinc/21/46/29/646214629.db2.gz JKGNISPOLGOYAY-LLVKDONJSA-N 2 1 239.388 1.569 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925471873 646289614 /nfs/dbraw/zinc/28/96/14/646289614.db2.gz BLZOWIMTOAWLKU-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925482784 646291665 /nfs/dbraw/zinc/29/16/65/646291665.db2.gz OALMVZZKHGJBIK-XQQFMLRXSA-N 2 1 240.391 1.658 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925479016 646292637 /nfs/dbraw/zinc/29/26/37/646292637.db2.gz PRGOHOSHIJCMRE-STQMWFEESA-N 2 1 240.391 1.658 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925483743 646294696 /nfs/dbraw/zinc/29/46/96/646294696.db2.gz XWICZMGCOKHYIB-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925490060 646298505 /nfs/dbraw/zinc/29/85/05/646298505.db2.gz AITYRILEJVIVPQ-WDEREUQCSA-N 2 1 237.347 1.979 20 0 BDADMP C[NH+]1CCC(CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925492007 646299158 /nfs/dbraw/zinc/29/91/58/646299158.db2.gz GRIMCTLLCQBIOV-ZDUSSCGKSA-N 2 1 237.391 1.202 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925490057 646300110 /nfs/dbraw/zinc/30/01/10/646300110.db2.gz AITYRILEJVIVPQ-MNOVXSKESA-N 2 1 237.347 1.979 20 0 BDADMP C[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)[N@@H+](C)C1CC1 ZINC000925496296 646302564 /nfs/dbraw/zinc/30/25/64/646302564.db2.gz PZSQRZBCHMYRDY-CMPLNLGQSA-N 2 1 225.380 1.199 20 0 BDADMP C[N@@H+](CCN[C@@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925499081 646303496 /nfs/dbraw/zinc/30/34/96/646303496.db2.gz MMEQKHADFZCGEC-CYBMUJFWSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CC2)C[C@H]1C ZINC000929783030 646309322 /nfs/dbraw/zinc/30/93/22/646309322.db2.gz YHRRUZBNEYEBEK-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CC2)C[C@H]1C ZINC000929783030 646309328 /nfs/dbraw/zinc/30/93/28/646309328.db2.gz YHRRUZBNEYEBEK-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CC2)C[C@H]1C ZINC000929783030 646309335 /nfs/dbraw/zinc/30/93/35/646309335.db2.gz YHRRUZBNEYEBEK-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP COC/C(C)=C\C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929783563 646311035 /nfs/dbraw/zinc/31/10/35/646311035.db2.gz UIEUHLKJLUJYRB-NGPFNDBQSA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C\C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929783563 646311040 /nfs/dbraw/zinc/31/10/40/646311040.db2.gz UIEUHLKJLUJYRB-NGPFNDBQSA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C\C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929783563 646311046 /nfs/dbraw/zinc/31/10/46/646311046.db2.gz UIEUHLKJLUJYRB-NGPFNDBQSA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C\C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929783563 646311055 /nfs/dbraw/zinc/31/10/55/646311055.db2.gz UIEUHLKJLUJYRB-NGPFNDBQSA-N 2 1 240.391 1.994 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000925547316 646317854 /nfs/dbraw/zinc/31/78/54/646317854.db2.gz BKONEUOSJZVNAF-RYUDHWBXSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@@H](Cn1ccnc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925543338 646324239 /nfs/dbraw/zinc/32/42/39/646324239.db2.gz MPSIEIGORQOYRP-RYUDHWBXSA-N 2 1 234.347 1.146 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1(C)C ZINC000925543957 646325317 /nfs/dbraw/zinc/32/53/17/646325317.db2.gz XJZHKUSAKXWLSQ-HBNTYKKESA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925550453 646329610 /nfs/dbraw/zinc/32/96/10/646329610.db2.gz MPVBHHYCGLSLAZ-OLZOCXBDSA-N 2 1 239.407 1.591 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCS1 ZINC000925553505 646331498 /nfs/dbraw/zinc/33/14/98/646331498.db2.gz SZEXOFPMRSLUET-QWRGUYRKSA-N 2 1 226.389 1.756 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925558361 646332936 /nfs/dbraw/zinc/33/29/36/646332936.db2.gz QSLRPLSVAGHMTM-GFCCVEGCSA-N 2 1 225.380 1.201 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925557810 646333170 /nfs/dbraw/zinc/33/31/70/646333170.db2.gz QPUDUVZXPWFQTE-KBPBESRZSA-N 2 1 249.402 1.345 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925579707 646343629 /nfs/dbraw/zinc/34/36/29/646343629.db2.gz GTOPYQFYSUMRPB-OLZOCXBDSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000925607743 646356666 /nfs/dbraw/zinc/35/66/66/646356666.db2.gz RQZDGJAPXNACRS-FVCCEPFGSA-N 2 1 226.364 1.268 20 0 BDADMP Cc1ncc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)s1 ZINC000925615780 646361671 /nfs/dbraw/zinc/36/16/71/646361671.db2.gz IKJVHTRQQCZHDX-BXKDBHETSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925614686 646363036 /nfs/dbraw/zinc/36/30/36/646363036.db2.gz ZZZRLQBBRRLRPJ-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP Cc1cnccc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925627017 646375230 /nfs/dbraw/zinc/37/52/30/646375230.db2.gz VPOAWTLBOHARER-ZDUSSCGKSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925634249 646378588 /nfs/dbraw/zinc/37/85/88/646378588.db2.gz ISWXBXQWZLGIGG-WOPDTQHZSA-N 2 1 226.364 1.410 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925640154 646382572 /nfs/dbraw/zinc/38/25/72/646382572.db2.gz GLVOPZMCFJNWSO-JGLYPNHGSA-N 2 1 224.348 1.188 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000925644344 646385143 /nfs/dbraw/zinc/38/51/43/646385143.db2.gz LSADUKVCLIFXGW-WDEREUQCSA-N 2 1 210.321 1.409 20 0 BDADMP CC1(C)[C@@H]([NH2+]CCF)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925655028 646394615 /nfs/dbraw/zinc/39/46/15/646394615.db2.gz IYHHXNNWWOAGHZ-UTLUCORTSA-N 2 1 200.301 1.322 20 0 BDADMP C1=CC[N@@H+](CCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925661802 646395893 /nfs/dbraw/zinc/39/58/93/646395893.db2.gz DXHSGQYIQXIXOZ-CQSZACIVSA-N 2 1 249.402 1.513 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925668606 646401527 /nfs/dbraw/zinc/40/15/27/646401527.db2.gz IOOJVYYFLRSZPW-STQMWFEESA-N 2 1 239.407 1.589 20 0 BDADMP Cc1cnc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000925686349 646412538 /nfs/dbraw/zinc/41/25/38/646412538.db2.gz UMHWNCOPESKFKC-YPMHNXCESA-N 2 1 234.347 1.058 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)cn1 ZINC000925686348 646412995 /nfs/dbraw/zinc/41/29/95/646412995.db2.gz UMHWNCOPESKFKC-WCQYABFASA-N 2 1 234.347 1.058 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000925691222 646416760 /nfs/dbraw/zinc/41/67/60/646416760.db2.gz LGCKBBCNYVPZNB-IXOXFDKPSA-N 2 1 208.349 1.763 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H](O)C(C)C ZINC000925694439 646420349 /nfs/dbraw/zinc/42/03/49/646420349.db2.gz WMGNUZQGKRIBMW-YNEHKIRRSA-N 2 1 240.391 1.656 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925696261 646421458 /nfs/dbraw/zinc/42/14/58/646421458.db2.gz YOSPAKIXJPLEBT-IJLUTSLNSA-N 2 1 212.337 1.001 20 0 BDADMP CC1(C[NH2+][C@H]2C[C@@H](N)C23CCC3)CC[NH2+]CC1 ZINC000925697401 646422019 /nfs/dbraw/zinc/42/20/19/646422019.db2.gz FTJCDVVXMSZQKB-NEPJUHHUSA-N 2 1 237.391 1.236 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NCCC[C@H]1CCC[NH2+]1 ZINC000925703649 646425230 /nfs/dbraw/zinc/42/52/30/646425230.db2.gz DOQPHWUJTROYQR-VXGBXAGGSA-N 2 1 225.380 1.249 20 0 BDADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)C[C@@H]([NH3+])C1 ZINC000925704991 646428356 /nfs/dbraw/zinc/42/83/56/646428356.db2.gz HFWOCVCOGIRMFC-USZNOCQGSA-N 2 1 243.370 1.182 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925708245 646432388 /nfs/dbraw/zinc/43/23/88/646432388.db2.gz REBWWOABXNGTOX-RYUDHWBXSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000925721578 646446673 /nfs/dbraw/zinc/44/66/73/646446673.db2.gz OJODVDLBNKPWKO-RWMBFGLXSA-N 2 1 226.364 1.533 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000925725113 646450046 /nfs/dbraw/zinc/45/00/46/646450046.db2.gz HFDCFVJOCUWVGC-VZKILSJISA-N 2 1 248.370 1.284 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925736958 646460359 /nfs/dbraw/zinc/46/03/59/646460359.db2.gz LWUOPWINXIXCQT-GHMZBOCLSA-N 3 1 227.396 1.609 20 0 BDADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cn1 ZINC000925740328 646461753 /nfs/dbraw/zinc/46/17/53/646461753.db2.gz IWVIDVWXKXKFCR-VIFPVBQESA-N 2 1 225.311 1.999 20 0 BDADMP C[C@@H]1C[C@H](NCc2cc(N)cc[nH+]2)[C@@H](C)O1 ZINC000925768051 646468800 /nfs/dbraw/zinc/46/88/00/646468800.db2.gz RQZAMSQWUALKCI-LNLATYFQSA-N 2 1 221.304 1.319 20 0 BDADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(C)n1 ZINC000925788667 646484438 /nfs/dbraw/zinc/48/44/38/646484438.db2.gz AKXDYQPDRAWUCV-NRUUGDAUSA-N 2 1 248.374 1.600 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925815693 646492657 /nfs/dbraw/zinc/49/26/57/646492657.db2.gz YNRUNZMHOSAINK-UTUOFQBUSA-N 2 1 235.331 1.213 20 0 BDADMP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[NH2+]C2)o1 ZINC000925838365 646505108 /nfs/dbraw/zinc/50/51/08/646505108.db2.gz LSDRLSRRWSBPDT-GFCCVEGCSA-N 2 1 245.326 1.630 20 0 BDADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[NH2+]C1)CCS2 ZINC000925855232 646511144 /nfs/dbraw/zinc/51/11/44/646511144.db2.gz CGIXODZSOLWQCN-MNOVXSKESA-N 2 1 226.389 1.756 20 0 BDADMP CCOCCOCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000925875148 646526227 /nfs/dbraw/zinc/52/62/27/646526227.db2.gz PMKRIGLEHSXOHJ-OLZOCXBDSA-N 2 1 244.379 1.160 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879416 646529421 /nfs/dbraw/zinc/52/94/21/646529421.db2.gz DLDRNCCOOGWOBU-NEBZKDRISA-N 3 1 247.386 1.792 20 0 BDADMP C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925892453 646534920 /nfs/dbraw/zinc/53/49/20/646534920.db2.gz BJJLZKSGGQCIJF-RWMBFGLXSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)[C@H]1CCC[NH2+]1 ZINC000925892455 646535542 /nfs/dbraw/zinc/53/55/42/646535542.db2.gz BJJLZKSGGQCIJF-XQQFMLRXSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337986 646618329 /nfs/dbraw/zinc/61/83/29/646618329.db2.gz UUPKGQZVAVAIHC-BLYZHGLHSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)oc1C ZINC000723701527 711534920 /nfs/dbraw/zinc/53/49/20/711534920.db2.gz KITIJRJJQPWKAG-LLVKDONJSA-N 2 1 223.320 1.462 20 0 BDADMP Cc1cn(C)nc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000723965937 711548190 /nfs/dbraw/zinc/54/81/90/711548190.db2.gz ZCUMFLLSOAZNOD-LBPRGKRZSA-N 2 1 236.363 1.432 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000723965937 711548193 /nfs/dbraw/zinc/54/81/93/711548193.db2.gz ZCUMFLLSOAZNOD-LBPRGKRZSA-N 2 1 236.363 1.432 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC000724775674 711613238 /nfs/dbraw/zinc/61/32/38/711613238.db2.gz CGHCZSOQIMQFHZ-NSHDSACASA-N 2 1 222.336 1.162 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716029 711712749 /nfs/dbraw/zinc/71/27/49/711712749.db2.gz OGIRRMSIYKWIBA-JHJVBQTASA-N 3 1 241.423 1.855 20 0 BDADMP COC[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC000721909651 711814590 /nfs/dbraw/zinc/81/45/90/711814590.db2.gz AZZFHHYXGUPTRB-GRYCIOLGSA-N 2 1 214.353 1.184 20 0 BDADMP COC[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000721965239 711845239 /nfs/dbraw/zinc/84/52/39/711845239.db2.gz YSLBHDNDSHAISQ-ZIAGYGMSSA-N 2 1 242.407 1.966 20 0 BDADMP C[NH2+][C@H]1CC[N@H+](C[C@@H](COC)C(C)C)C1 ZINC000721965874 711845442 /nfs/dbraw/zinc/84/54/42/711845442.db2.gz RBPQFGWVVPDVAR-RYUDHWBXSA-N 2 1 214.353 1.199 20 0 BDADMP C[NH2+][C@H]1CC[N@@H+](C[C@@H](COC)C(C)C)C1 ZINC000721965874 711845445 /nfs/dbraw/zinc/84/54/45/711845445.db2.gz RBPQFGWVVPDVAR-RYUDHWBXSA-N 2 1 214.353 1.199 20 0 BDADMP CC[NH+](CC)C[C@@H](C)Nc1cc(NC)[nH+]cn1 ZINC000132334765 711956746 /nfs/dbraw/zinc/95/67/46/711956746.db2.gz LYOOXVBJPRDOHX-SNVBAGLBSA-N 2 1 237.351 1.661 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700403420 711991891 /nfs/dbraw/zinc/99/18/91/711991891.db2.gz INRYKXFDOQSIEW-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCCC1 ZINC000702123429 712039468 /nfs/dbraw/zinc/03/94/68/712039468.db2.gz CLUQXVSPPZSNJD-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC(OC)C2)CC[C@@H]1[NH3+] ZINC000703909240 712093760 /nfs/dbraw/zinc/09/37/60/712093760.db2.gz YLSAMDBBCMMBOZ-KPFVRQRISA-N 2 1 226.364 1.471 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)C3CC3)C[C@@]2(C)C1 ZINC000705664256 712135216 /nfs/dbraw/zinc/13/52/16/712135216.db2.gz YCMBUBVWHXPBQL-MGPQQGTHSA-N 2 1 238.375 1.031 20 0 BDADMP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C(C)(C)O1 ZINC000709689612 712215211 /nfs/dbraw/zinc/21/52/11/712215211.db2.gz WNDXHNYZUWLRLL-GHMZBOCLSA-N 2 1 226.364 1.613 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)C(C)(C)O1 ZINC000709689612 712215214 /nfs/dbraw/zinc/21/52/14/712215214.db2.gz WNDXHNYZUWLRLL-GHMZBOCLSA-N 2 1 226.364 1.613 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1ccno1 ZINC000710713737 712254652 /nfs/dbraw/zinc/25/46/52/712254652.db2.gz KAAIHFUZYYHKLO-UHFFFAOYSA-N 2 1 211.309 1.626 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCCCNC1=O ZINC000710748390 712255652 /nfs/dbraw/zinc/25/56/52/712255652.db2.gz BOODWBHAZZQNIK-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@H]2CCC2(OC)OC)C1 ZINC000710959215 712268321 /nfs/dbraw/zinc/26/83/21/712268321.db2.gz LFSMURHBGHCLEN-RYUDHWBXSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC2(OC)OC)C1 ZINC000710959215 712268323 /nfs/dbraw/zinc/26/83/23/712268323.db2.gz LFSMURHBGHCLEN-RYUDHWBXSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC2(OC)OC)C1 ZINC000710959215 712268324 /nfs/dbraw/zinc/26/83/24/712268324.db2.gz LFSMURHBGHCLEN-RYUDHWBXSA-N 2 1 242.363 1.069 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711465550 712302038 /nfs/dbraw/zinc/30/20/38/712302038.db2.gz BNGFEFBHZGEXEE-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000379787188 712399513 /nfs/dbraw/zinc/39/95/13/712399513.db2.gz IENXQESMUOOYPU-XYTAGDGMSA-N 2 1 208.349 2.000 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+](C(C)C)CC1 ZINC000712584458 712434023 /nfs/dbraw/zinc/43/40/23/712434023.db2.gz BCGNNZYUPSELFF-CQSZACIVSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@@H]1CNC1CC[NH+](C(C)C)CC1 ZINC000712584458 712434024 /nfs/dbraw/zinc/43/40/24/712434024.db2.gz BCGNNZYUPSELFF-CQSZACIVSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000712555628 712445090 /nfs/dbraw/zinc/44/50/90/712445090.db2.gz WYYIDXXHOAEZSP-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)OC1 ZINC000713597993 712466199 /nfs/dbraw/zinc/46/61/99/712466199.db2.gz XFJLLBSZHJKWCM-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000714692776 712495695 /nfs/dbraw/zinc/49/56/95/712495695.db2.gz WBQHUEFPGDIOBM-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP C1COC2(CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)O1 ZINC000715755048 712531763 /nfs/dbraw/zinc/53/17/63/712531763.db2.gz LNXHCSGUFIUWQI-LBPRGKRZSA-N 2 1 240.347 1.014 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000716853569 712578660 /nfs/dbraw/zinc/57/86/60/712578660.db2.gz PPYUFTGPLFPDKB-REWJHTLYSA-N 2 1 240.391 1.752 20 0 BDADMP CC[C@H](C[C@@H](C)O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716847338 712578431 /nfs/dbraw/zinc/57/84/31/712578431.db2.gz ROSDNURWFHDZOZ-VXGBXAGGSA-N 2 1 240.391 1.752 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717818591 712681534 /nfs/dbraw/zinc/68/15/34/712681534.db2.gz ARXQIRKMTBBNNP-ZDUSSCGKSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717885479 712731228 /nfs/dbraw/zinc/73/12/28/712731228.db2.gz SPPJDLAQOVGWOU-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP CC(F)(F)CCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000718610929 712773107 /nfs/dbraw/zinc/77/31/07/712773107.db2.gz JJLXVMMACHNYIV-SNVBAGLBSA-N 2 1 236.306 1.471 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719872993 712824644 /nfs/dbraw/zinc/82/46/44/712824644.db2.gz ONUJMEFTHBMYNM-NXEZZACHSA-N 2 1 225.361 1.212 20 0 BDADMP c1cc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)sn1 ZINC000719845414 712825426 /nfs/dbraw/zinc/82/54/26/712825426.db2.gz OHIUJEWDPISPLM-CMPLNLGQSA-N 2 1 237.372 1.369 20 0 BDADMP c1cc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)sn1 ZINC000719845414 712825427 /nfs/dbraw/zinc/82/54/27/712825427.db2.gz OHIUJEWDPISPLM-CMPLNLGQSA-N 2 1 237.372 1.369 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2ccns2)CC[C@H]1[NH3+] ZINC000719845909 712825477 /nfs/dbraw/zinc/82/54/77/712825477.db2.gz QRERWWNAKNTMOO-CMPLNLGQSA-N 2 1 239.388 1.745 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719845570 712825665 /nfs/dbraw/zinc/82/56/65/712825665.db2.gz JPFRHGWSZWGILN-WDEREUQCSA-N 2 1 239.388 1.745 20 0 BDADMP C[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000381389611 710632280 /nfs/dbraw/zinc/63/22/80/710632280.db2.gz MZYLZUBJAWALIE-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C2CC2)CC[N@@H+]1C ZINC000381729335 710689054 /nfs/dbraw/zinc/68/90/54/710689054.db2.gz NDNBIDHVMQJOLV-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C2CC2)CC[N@H+]1C ZINC000381729335 710689057 /nfs/dbraw/zinc/68/90/57/710689057.db2.gz NDNBIDHVMQJOLV-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CC2)CC[N@@H+]1C ZINC000381729337 710689184 /nfs/dbraw/zinc/68/91/84/710689184.db2.gz NDNBIDHVMQJOLV-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CC2)CC[N@H+]1C ZINC000381729337 710689186 /nfs/dbraw/zinc/68/91/86/710689186.db2.gz NDNBIDHVMQJOLV-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@]1(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC[NH2+]C1 ZINC000381570520 710655716 /nfs/dbraw/zinc/65/57/16/710655716.db2.gz WXEAFNKBQXSPPM-HZSPNIEDSA-N 2 1 220.360 1.884 20 0 BDADMP COC[C@@H](C[NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000721894569 710690338 /nfs/dbraw/zinc/69/03/38/710690338.db2.gz AMOWLQRSTLNBBE-GFCCVEGCSA-N 2 1 228.380 1.589 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CC[NH3+] ZINC000723881554 710733157 /nfs/dbraw/zinc/73/31/57/710733157.db2.gz ACUCPYTYYITBOW-VXGBXAGGSA-N 2 1 219.332 1.498 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)C[C@H]1CC[NH3+] ZINC000723909240 710734171 /nfs/dbraw/zinc/73/41/71/710734171.db2.gz OAUQBEOLSORXKR-DGCLKSJQSA-N 2 1 234.343 1.809 20 0 BDADMP CC(C)=CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000393908979 710823128 /nfs/dbraw/zinc/82/31/28/710823128.db2.gz QWMZRIUGZYVBTC-JZRPKSSGSA-N 2 1 206.333 1.539 20 0 BDADMP CC[C@H]1C[C@@H](C)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000399117507 710913840 /nfs/dbraw/zinc/91/38/40/710913840.db2.gz NFMCSEHGNDHODF-NDBYEHHHSA-N 2 1 210.365 1.962 20 0 BDADMP CCOCCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133089270 710968382 /nfs/dbraw/zinc/96/83/82/710968382.db2.gz WCFZFUMNLKKCJT-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP COCc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000382719890 710974905 /nfs/dbraw/zinc/97/49/05/710974905.db2.gz HKVIATSRHUXKGF-NSHDSACASA-N 2 1 238.331 1.597 20 0 BDADMP COCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000382719890 710974908 /nfs/dbraw/zinc/97/49/08/710974908.db2.gz HKVIATSRHUXKGF-NSHDSACASA-N 2 1 238.331 1.597 20 0 BDADMP CCCC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000383584803 710982930 /nfs/dbraw/zinc/98/29/30/710982930.db2.gz MRNGYKASHWRHCN-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CCCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000383584803 710982931 /nfs/dbraw/zinc/98/29/31/710982931.db2.gz MRNGYKASHWRHCN-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC[N@H+]1C ZINC000385477739 711012704 /nfs/dbraw/zinc/01/27/04/711012704.db2.gz DZHWIIFHIKQSNP-UCGZNOEMSA-N 2 1 249.402 1.055 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC[N@H+]1C ZINC000385477728 711012761 /nfs/dbraw/zinc/01/27/61/711012761.db2.gz DZHWIIFHIKQSNP-FXWFOLBNSA-N 2 1 249.402 1.055 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000385842264 711017536 /nfs/dbraw/zinc/01/75/36/711017536.db2.gz NUOKTGCZZVSBAY-LLVKDONJSA-N 2 1 228.336 1.143 20 0 BDADMP c1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000386077290 711021853 /nfs/dbraw/zinc/02/18/53/711021853.db2.gz GTOQQBVREUUTQY-UONOGXRCSA-N 2 1 246.354 1.607 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]cc3CO)C2)C1 ZINC000386612892 711034128 /nfs/dbraw/zinc/03/41/28/711034128.db2.gz MUZKWXGMQMSWNQ-AWEZNQCLSA-N 2 1 247.342 1.106 20 0 BDADMP COCC[C@@H](C)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388013113 711049540 /nfs/dbraw/zinc/04/95/40/711049540.db2.gz DARGEBBHELXNOD-NXEZZACHSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388013113 711049541 /nfs/dbraw/zinc/04/95/41/711049541.db2.gz DARGEBBHELXNOD-NXEZZACHSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[C@@H](C)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388013113 711049545 /nfs/dbraw/zinc/04/95/45/711049545.db2.gz DARGEBBHELXNOD-NXEZZACHSA-N 2 1 200.326 1.081 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000389600488 711082653 /nfs/dbraw/zinc/08/26/53/711082653.db2.gz UFOXCOKFSIUXOM-LBPRGKRZSA-N 2 1 216.369 1.418 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000389600488 711082655 /nfs/dbraw/zinc/08/26/55/711082655.db2.gz UFOXCOKFSIUXOM-LBPRGKRZSA-N 2 1 216.369 1.418 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000389600488 711082658 /nfs/dbraw/zinc/08/26/58/711082658.db2.gz UFOXCOKFSIUXOM-LBPRGKRZSA-N 2 1 216.369 1.418 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000389630401 711083620 /nfs/dbraw/zinc/08/36/20/711083620.db2.gz LZWCANVUMKNPJG-TUAOUCFPSA-N 2 1 228.405 1.669 20 0 BDADMP CCOC(=O)CCCCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000390081306 711105120 /nfs/dbraw/zinc/10/51/20/711105120.db2.gz BVVJXTOFGXIRJB-LLVKDONJSA-N 2 1 230.352 1.389 20 0 BDADMP C[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000390295775 711111040 /nfs/dbraw/zinc/11/10/40/711111040.db2.gz APMSCVUHTCHCQV-UKRRQHHQSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000390295775 711111043 /nfs/dbraw/zinc/11/10/43/711111043.db2.gz APMSCVUHTCHCQV-UKRRQHHQSA-N 2 1 248.370 1.872 20 0 BDADMP CC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000390446232 711117253 /nfs/dbraw/zinc/11/72/53/711117253.db2.gz XRNPZOMWPCLJAR-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000390446232 711117255 /nfs/dbraw/zinc/11/72/55/711117255.db2.gz XRNPZOMWPCLJAR-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP O=c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc[nH]1 ZINC000392764681 711152448 /nfs/dbraw/zinc/15/24/48/711152448.db2.gz RWTDYSUTUSKSMU-STQMWFEESA-N 2 1 247.342 1.504 20 0 BDADMP [NH2+]=C(NCC[N@H+]1CC=CCC1)Nc1ccccc1 ZINC000392823545 711153309 /nfs/dbraw/zinc/15/33/09/711153309.db2.gz AWMPHQDGTPOXLR-UHFFFAOYSA-N 2 1 244.342 1.885 20 0 BDADMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)Nc1ccccc1 ZINC000392823545 711153311 /nfs/dbraw/zinc/15/33/11/711153311.db2.gz AWMPHQDGTPOXLR-UHFFFAOYSA-N 2 1 244.342 1.885 20 0 BDADMP C[C@H](F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000393953514 711180342 /nfs/dbraw/zinc/18/03/42/711180342.db2.gz RSGPFTWTSAONLL-YEJSDXFRSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCC2CC2)CCO1 ZINC000394617543 711195407 /nfs/dbraw/zinc/19/54/07/711195407.db2.gz OXEYGJYVFYMZLQ-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCC2CC2)CCO1 ZINC000394617543 711195410 /nfs/dbraw/zinc/19/54/10/711195410.db2.gz OXEYGJYVFYMZLQ-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000396592735 711355985 /nfs/dbraw/zinc/35/59/85/711355985.db2.gz UNNCKVRBVNQBID-OUCADQQQSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000396581868 711357043 /nfs/dbraw/zinc/35/70/43/711357043.db2.gz FSBUZHJHWUDBOL-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000396585844 711357210 /nfs/dbraw/zinc/35/72/10/711357210.db2.gz RDRJKATWYIVVAL-QWHCGFSZSA-N 2 1 236.363 1.393 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1nccs1 ZINC000396586569 711357494 /nfs/dbraw/zinc/35/74/94/711357494.db2.gz HURBMGHXMWMINT-WDEREUQCSA-N 2 1 239.388 1.806 20 0 BDADMP COCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396585936 711357946 /nfs/dbraw/zinc/35/79/46/711357946.db2.gz HPCOPAKRDDQHLJ-VXGBXAGGSA-N 2 1 226.364 1.533 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396593096 711359379 /nfs/dbraw/zinc/35/93/79/711359379.db2.gz XRBBAEYTBPRTTO-BBBLOLIVSA-N 2 1 202.367 1.468 20 0 BDADMP CC(C)OCCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396677133 711364827 /nfs/dbraw/zinc/36/48/27/711364827.db2.gz UECWTRKXNORIQB-OLZOCXBDSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000398595533 711413060 /nfs/dbraw/zinc/41/30/60/711413060.db2.gz BTHYXWXNUIWWHG-YFKTTZPYSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)C[NH2+]1 ZINC000398989356 711416975 /nfs/dbraw/zinc/41/69/75/711416975.db2.gz JLSJACCNWDOZPL-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C[NH2+]1 ZINC000398989354 711417498 /nfs/dbraw/zinc/41/74/98/711417498.db2.gz JLSJACCNWDOZPL-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]1COCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000399172623 711423395 /nfs/dbraw/zinc/42/33/95/711423395.db2.gz OXWDXISEIWWLGY-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000381431303 710636763 /nfs/dbraw/zinc/63/67/63/710636763.db2.gz BPEDKULMRUURPF-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP COC[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])C(C)C ZINC000721913131 710693046 /nfs/dbraw/zinc/69/30/46/710693046.db2.gz OEGHSSVLLGBHSH-LBPRGKRZSA-N 2 1 230.396 1.822 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000392655237 711149723 /nfs/dbraw/zinc/14/97/23/711149723.db2.gz XGHUUMZBSJIMEE-LBPRGKRZSA-N 2 1 235.331 1.219 20 0 BDADMP Cl/C=C\C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394289322 711188889 /nfs/dbraw/zinc/18/88/89/711188889.db2.gz MSOGKODCBYTKFR-PHVWZEQKSA-N 2 1 214.740 1.670 20 0 BDADMP C(CC1CC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000394487068 711194220 /nfs/dbraw/zinc/19/42/20/711194220.db2.gz IGLJZTWOXYHXQK-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000396648031 711362620 /nfs/dbraw/zinc/36/26/20/711362620.db2.gz KPMLIKHLYUCFKI-AAEUAGOBSA-N 2 1 219.332 1.354 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000396646791 711362689 /nfs/dbraw/zinc/36/26/89/711362689.db2.gz CKSFJUPJUGEEEY-YUSALJHKSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)OC ZINC000396724009 711364349 /nfs/dbraw/zinc/36/43/49/711364349.db2.gz VBIYEYQZLVQXMJ-CYDGBPFRSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000396699228 711365109 /nfs/dbraw/zinc/36/51/09/711365109.db2.gz KNZPIGFDCLPZOV-QWRGUYRKSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)[N@@H+](C)C1CC1 ZINC000396713666 711366723 /nfs/dbraw/zinc/36/67/23/711366723.db2.gz QKQQMLYGQAXFRN-MDZLAQPJSA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396724126 711369294 /nfs/dbraw/zinc/36/92/94/711369294.db2.gz XRRYQWMCFJYHAS-TUAOUCFPSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396724124 711369682 /nfs/dbraw/zinc/36/96/82/711369682.db2.gz XRRYQWMCFJYHAS-SDDRHHMPSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H](CCO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000397609223 711387691 /nfs/dbraw/zinc/38/76/91/711387691.db2.gz BOUGVOIOVHONIZ-RLAWYHOSSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCOC1 ZINC000399703039 711433680 /nfs/dbraw/zinc/43/36/80/711433680.db2.gz BQDBQVSDMUFSIC-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP Cn1c(Cl)cnc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000393378273 711469725 /nfs/dbraw/zinc/46/97/25/711469725.db2.gz UQOFGCKILXMBJQ-BDAKNGLRSA-N 2 1 242.754 1.433 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000723081304 711501235 /nfs/dbraw/zinc/50/12/35/711501235.db2.gz UKYVGYWZJSBNBK-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723468311 711512339 /nfs/dbraw/zinc/51/23/39/711512339.db2.gz HMZKEASJLDPVPA-KXUCPTDWSA-N 2 1 220.307 1.947 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723653731 711531195 /nfs/dbraw/zinc/53/11/95/711531195.db2.gz DEACLRCZGPMGAN-NSHDSACASA-N 2 1 223.320 1.462 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000723671200 711533268 /nfs/dbraw/zinc/53/32/68/711533268.db2.gz XYUAFOIPYAHFDV-NSHDSACASA-N 2 1 235.331 1.261 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000723703724 711535679 /nfs/dbraw/zinc/53/56/79/711535679.db2.gz VJNBKKGSZHEGKQ-LLVKDONJSA-N 2 1 244.342 1.734 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1CC[NH3+] ZINC000723910898 711544940 /nfs/dbraw/zinc/54/49/40/711544940.db2.gz YOCHWOJISRMJIQ-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1cc(N)nc(NCC2([NH+](C)C)CCCC2)[nH+]1 ZINC000891775184 711545428 /nfs/dbraw/zinc/54/54/28/711545428.db2.gz JDOXSMAKTUQXPE-UHFFFAOYSA-N 2 1 249.362 1.654 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000724154700 711565539 /nfs/dbraw/zinc/56/55/39/711565539.db2.gz YRLBVXXLCLSXGT-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000724155054 711565550 /nfs/dbraw/zinc/56/55/50/711565550.db2.gz JXISMOGLYNRYKA-RHYQMDGZSA-N 2 1 212.337 1.223 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCC1CC=CC1)C1CC1 ZINC000724198197 711568819 /nfs/dbraw/zinc/56/88/19/711568819.db2.gz MCXRSGDQGHUYDT-CQSZACIVSA-N 2 1 238.375 1.387 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1CC=CC1)C1CC1 ZINC000724198197 711568821 /nfs/dbraw/zinc/56/88/21/711568821.db2.gz MCXRSGDQGHUYDT-CQSZACIVSA-N 2 1 238.375 1.387 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000393661435 711606752 /nfs/dbraw/zinc/60/67/52/711606752.db2.gz WPZCMPXYQZSFKU-IWSPIJDZSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000393661435 711606753 /nfs/dbraw/zinc/60/67/53/711606753.db2.gz WPZCMPXYQZSFKU-IWSPIJDZSA-N 2 1 206.280 1.699 20 0 BDADMP Cc1[nH]c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC000724786308 711615147 /nfs/dbraw/zinc/61/51/47/711615147.db2.gz HNRDTERQFMNDCV-CQSZACIVSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1[nH]c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC000724786308 711615148 /nfs/dbraw/zinc/61/51/48/711615148.db2.gz HNRDTERQFMNDCV-CQSZACIVSA-N 2 1 248.374 1.554 20 0 BDADMP C[C@@H]1COCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000399187071 711744646 /nfs/dbraw/zinc/74/46/46/711744646.db2.gz UHQVUUKRWYWXKA-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000925787334 711751310 /nfs/dbraw/zinc/75/13/10/711751310.db2.gz YNPUBBPXXBXCHA-XJFOESAGSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925787334 711751312 /nfs/dbraw/zinc/75/13/12/711751312.db2.gz YNPUBBPXXBXCHA-XJFOESAGSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000925787334 711751314 /nfs/dbraw/zinc/75/13/14/711751314.db2.gz YNPUBBPXXBXCHA-XJFOESAGSA-N 3 1 237.391 1.058 20 0 BDADMP Cc1cc(N)nc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)n1 ZINC000895027645 711774475 /nfs/dbraw/zinc/77/44/75/711774475.db2.gz ZFGWCJWFNUXLMJ-LLVKDONJSA-N 2 1 249.362 1.144 20 0 BDADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000721870053 711792988 /nfs/dbraw/zinc/79/29/88/711792988.db2.gz AYGPUEDLHIENEZ-IHRRRGAJSA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](COC)C(C)C)CC[C@@H]1[NH3+] ZINC000721913811 711918170 /nfs/dbraw/zinc/91/81/70/711918170.db2.gz QDNNNIHELPZHOJ-MCIONIFRSA-N 2 1 242.407 1.964 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000530219394 711938050 /nfs/dbraw/zinc/93/80/50/711938050.db2.gz PLUFELCQUHFXFA-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000530219394 711938052 /nfs/dbraw/zinc/93/80/52/711938052.db2.gz PLUFELCQUHFXFA-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCCOCC1 ZINC000700257776 711988927 /nfs/dbraw/zinc/98/89/27/711988927.db2.gz RBVOUCKZLJNXGM-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](CCF)C2)C1 ZINC000700555850 711997110 /nfs/dbraw/zinc/99/71/10/711997110.db2.gz IUEUVKUPWGNCJS-QJPTWQEYSA-N 2 1 230.327 1.174 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000701719440 712028012 /nfs/dbraw/zinc/02/80/12/712028012.db2.gz VCOZWMUKKQKOAE-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000702520665 712054344 /nfs/dbraw/zinc/05/43/44/712054344.db2.gz NWWFLSXQSOMYDY-MNOVXSKESA-N 2 1 214.328 1.999 20 0 BDADMP Cc1cc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)nc(C)[nH+]1 ZINC000703538170 712078795 /nfs/dbraw/zinc/07/87/95/712078795.db2.gz FXDKNKDTOOVNEY-WCQYABFASA-N 2 1 232.331 1.139 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccn1 ZINC000703607239 712080394 /nfs/dbraw/zinc/08/03/94/712080394.db2.gz CDROYYPFOOXEFU-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccn1 ZINC000703607239 712080395 /nfs/dbraw/zinc/08/03/95/712080395.db2.gz CDROYYPFOOXEFU-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP COC1CC(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000703870375 712091798 /nfs/dbraw/zinc/09/17/98/712091798.db2.gz DVWSGUXTMKOSGO-YCQMLSDISA-N 2 1 240.391 1.717 20 0 BDADMP C[NH+]1C[C@@]2(C)C[NH+](CCC(C)(C)O)C[C@]2(C)C1 ZINC000705669187 712135039 /nfs/dbraw/zinc/13/50/39/712135039.db2.gz LLQPOJKNBDSCAB-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CSC1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000706928690 712161876 /nfs/dbraw/zinc/16/18/76/712161876.db2.gz MPLDTRGPHLGYHX-ZBOXLXRLSA-N 2 1 240.416 1.954 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000707525832 712171405 /nfs/dbraw/zinc/17/14/05/712171405.db2.gz UAPFHVKRKRXLPP-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708333193 712188267 /nfs/dbraw/zinc/18/82/67/712188267.db2.gz UTOVGSAJNCNORB-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708348311 712189781 /nfs/dbraw/zinc/18/97/81/712189781.db2.gz MLFOAIQXHICKMT-UPJWGTAASA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1C[NH3+] ZINC000708892714 712202750 /nfs/dbraw/zinc/20/27/50/712202750.db2.gz GUBFBZWBJKSNAX-GXSJLCMTSA-N 2 1 239.750 1.762 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1C[NH3+] ZINC000708892714 712202753 /nfs/dbraw/zinc/20/27/53/712202753.db2.gz GUBFBZWBJKSNAX-GXSJLCMTSA-N 2 1 239.750 1.762 20 0 BDADMP CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000708901366 712203603 /nfs/dbraw/zinc/20/36/03/712203603.db2.gz WDFJKBFVZWAUOM-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000708901366 712203604 /nfs/dbraw/zinc/20/36/04/712203604.db2.gz WDFJKBFVZWAUOM-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(C)CC1)[NH2+]2 ZINC000709284693 712219014 /nfs/dbraw/zinc/21/90/14/712219014.db2.gz NZZWAXHLMVXJPK-YXCITZCRSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccns1 ZINC000709966616 712234915 /nfs/dbraw/zinc/23/49/15/712234915.db2.gz JTHMPLKCRGJIAO-VHSXEESVSA-N 2 1 225.361 1.497 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccns1 ZINC000709966616 712234917 /nfs/dbraw/zinc/23/49/17/712234917.db2.gz JTHMPLKCRGJIAO-VHSXEESVSA-N 2 1 225.361 1.497 20 0 BDADMP Cn1nccc1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000710012323 712240815 /nfs/dbraw/zinc/24/08/15/712240815.db2.gz AEVJGAUHBASLLA-CQSZACIVSA-N 2 1 248.374 1.038 20 0 BDADMP COCC[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710712968 712254754 /nfs/dbraw/zinc/25/47/54/712254754.db2.gz FWDULXGMLQDUAB-LBPRGKRZSA-N 2 1 216.369 1.862 20 0 BDADMP Cn1ccc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000710730149 712255669 /nfs/dbraw/zinc/25/56/69/712255669.db2.gz PVYVOAMRVRNTRA-UHFFFAOYSA-N 2 1 224.352 1.371 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000710724969 712255679 /nfs/dbraw/zinc/25/56/79/712255679.db2.gz POOJYBHONLWVPL-AWEZNQCLSA-N 2 1 239.407 1.674 20 0 BDADMP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000710724465 712255724 /nfs/dbraw/zinc/25/57/24/712255724.db2.gz MHAGBLGRBWGSOY-QWHCGFSZSA-N 2 1 244.379 1.241 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC[C@@H]1[NH3+] ZINC000711473209 712302902 /nfs/dbraw/zinc/30/29/02/712302902.db2.gz XZQBUPVAVADESA-AGIUHOORSA-N 2 1 238.375 1.757 20 0 BDADMP C[N@H+](CCOC1CC1)C1(C[NH3+])CCCCC1 ZINC000711659555 712314962 /nfs/dbraw/zinc/31/49/62/712314962.db2.gz RHKKOFVOUCAZFK-UHFFFAOYSA-N 2 1 226.364 1.759 20 0 BDADMP C[N@@H+](CCOC1CC1)C1(C[NH3+])CCCCC1 ZINC000711659555 712314965 /nfs/dbraw/zinc/31/49/65/712314965.db2.gz RHKKOFVOUCAZFK-UHFFFAOYSA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC000379503501 712386026 /nfs/dbraw/zinc/38/60/26/712386026.db2.gz OHFBPQBRGCDZEJ-LLVKDONJSA-N 2 1 202.317 1.797 20 0 BDADMP C[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000379787186 712399365 /nfs/dbraw/zinc/39/93/65/712399365.db2.gz IENXQESMUOOYPU-OFIBSPLFSA-N 2 1 208.349 2.000 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000712439352 712430079 /nfs/dbraw/zinc/43/00/79/712430079.db2.gz TZOJDYBORNOLIE-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000712439352 712430081 /nfs/dbraw/zinc/43/00/81/712430081.db2.gz TZOJDYBORNOLIE-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP CCN1CC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000712584369 712434314 /nfs/dbraw/zinc/43/43/14/712434314.db2.gz YDKFBFKFRIRUGU-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000712584369 712434315 /nfs/dbraw/zinc/43/43/15/712434315.db2.gz YDKFBFKFRIRUGU-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP CC[N@H+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000712584369 712434316 /nfs/dbraw/zinc/43/43/16/712434316.db2.gz YDKFBFKFRIRUGU-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP CC[NH+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000712584369 712434317 /nfs/dbraw/zinc/43/43/17/712434317.db2.gz YDKFBFKFRIRUGU-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP CC[NH+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000712584369 712434318 /nfs/dbraw/zinc/43/43/18/712434318.db2.gz YDKFBFKFRIRUGU-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000713596610 712466108 /nfs/dbraw/zinc/46/61/08/712466108.db2.gz NALBJVFUQAAKQR-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000714607172 712488224 /nfs/dbraw/zinc/48/82/24/712488224.db2.gz VMGYQAGMNXPKJI-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)(C[NH3+])C1CC[NH+](Cc2ccon2)CC1 ZINC000714487036 712492183 /nfs/dbraw/zinc/49/21/83/712492183.db2.gz QLMNMOGARAGXAU-UHFFFAOYSA-N 2 1 237.347 1.872 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715434024 712518957 /nfs/dbraw/zinc/51/89/57/712518957.db2.gz FGBUQCDKJKGHSQ-XBFCOCLRSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC[C@@H]1[NH3+] ZINC000715479650 712520603 /nfs/dbraw/zinc/52/06/03/712520603.db2.gz HWNYQVHBMHWCHG-SAXRGWBVSA-N 2 1 238.375 1.613 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715391229 712522175 /nfs/dbraw/zinc/52/21/75/712522175.db2.gz DKCRZJWMJRFSFD-RUZUBIRVSA-N 2 1 238.375 1.471 20 0 BDADMP C[NH+](C)C1(C)CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000715489064 712523079 /nfs/dbraw/zinc/52/30/79/712523079.db2.gz CIUIXHDANKQURO-CPCZMJQVSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715493417 712523517 /nfs/dbraw/zinc/52/35/17/712523517.db2.gz BYFRHEVXVUFTFA-MELADBBJSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CC[C@H](C2CC2)O1 ZINC000715493409 712523669 /nfs/dbraw/zinc/52/36/69/712523669.db2.gz BXFCQEHIFDGKGC-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715513045 712524519 /nfs/dbraw/zinc/52/45/19/712524519.db2.gz YAWBFWRQYZKYGQ-IACUBPJLSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH+](C)C1CCC([NH2+]Cc2c[nH]cn2)CC1 ZINC000715574713 712529161 /nfs/dbraw/zinc/52/91/61/712529161.db2.gz WBGGELGQVHQKOD-UHFFFAOYSA-N 2 1 222.336 1.372 20 0 BDADMP Cc1[nH]nc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000716459873 712562332 /nfs/dbraw/zinc/56/23/32/712562332.db2.gz BOQRVFNLLRGZCV-CHWSQXEVSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1[nH]nc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000716459873 712562333 /nfs/dbraw/zinc/56/23/33/712562333.db2.gz BOQRVFNLLRGZCV-CHWSQXEVSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000716459873 712562334 /nfs/dbraw/zinc/56/23/34/712562334.db2.gz BOQRVFNLLRGZCV-CHWSQXEVSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000716459873 712562335 /nfs/dbraw/zinc/56/23/35/712562335.db2.gz BOQRVFNLLRGZCV-CHWSQXEVSA-N 2 1 248.374 1.743 20 0 BDADMP C[C@H](CNC(=[NH2+])NC1CCCC1)[N@@H+](C)C1CC1 ZINC000221247193 712658545 /nfs/dbraw/zinc/65/85/45/712658545.db2.gz HHPPXBFYPKTSGX-SNVBAGLBSA-N 2 1 238.379 1.526 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000042896929 712720807 /nfs/dbraw/zinc/72/08/07/712720807.db2.gz CLRDXJPHMYNTOX-LBPRGKRZSA-N 2 1 220.316 1.346 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717955156 712734589 /nfs/dbraw/zinc/73/45/89/712734589.db2.gz YQQSQUYPRTXUGH-XJFOESAGSA-N 2 1 237.391 1.282 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000717973255 712736164 /nfs/dbraw/zinc/73/61/64/712736164.db2.gz GACGVSXPAKHPDQ-FRRDWIJNSA-N 2 1 226.364 1.471 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000037689217 712738546 /nfs/dbraw/zinc/73/85/46/712738546.db2.gz CBXNFVLFPVTUOJ-CQSZACIVSA-N 2 1 234.343 1.404 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038043739 712801130 /nfs/dbraw/zinc/80/11/30/712801130.db2.gz PUPBDGYSXAELDR-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000719777655 712823889 /nfs/dbraw/zinc/82/38/89/712823889.db2.gz HPFULGVLGHYGEA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000719768437 712823956 /nfs/dbraw/zinc/82/39/56/712823956.db2.gz IFIXNCAQYANVGN-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1conc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000720379206 712837302 /nfs/dbraw/zinc/83/73/02/712837302.db2.gz MQXUHYLDIFBJDC-UHFFFAOYSA-N 2 1 223.320 1.544 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)nn1 ZINC000720567335 712851998 /nfs/dbraw/zinc/85/19/98/712851998.db2.gz OSFCAJZPSDARHF-WCQYABFASA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)nn1 ZINC000720567335 712851999 /nfs/dbraw/zinc/85/19/99/712851999.db2.gz OSFCAJZPSDARHF-WCQYABFASA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cc(C)nnc2C)CC[C@H]1[NH3+] ZINC000720570100 712852005 /nfs/dbraw/zinc/85/20/05/712852005.db2.gz PUGNHJQUVGXFPK-TZMCWYRMSA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cc(C)nnc2C)CC[C@H]1[NH3+] ZINC000720570100 712852006 /nfs/dbraw/zinc/85/20/06/712852006.db2.gz PUGNHJQUVGXFPK-TZMCWYRMSA-N 2 1 248.374 1.653 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1C(F)(F)F ZINC000720872090 712871503 /nfs/dbraw/zinc/87/15/03/712871503.db2.gz OCGDHNWCJSYAQE-BDAKNGLRSA-N 2 1 222.254 1.465 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720875877 712872457 /nfs/dbraw/zinc/87/24/57/712872457.db2.gz XXVYBZYOUDATJM-XGFWRYKXSA-N 2 1 238.375 1.756 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC([NH3+])C1 ZINC000720893096 712874345 /nfs/dbraw/zinc/87/43/45/712874345.db2.gz JFUIWZHVHJGWAE-HQXFNHHZSA-N 2 1 224.348 1.366 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(N)cc[nH+]1 ZINC001164632159 719149013 /nfs/dbraw/zinc/14/90/13/719149013.db2.gz PXFBQEHTOSRWBC-UWVGGRQHSA-N 2 1 220.320 1.193 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCO2)CCC1(F)F ZINC000403139180 958406535 /nfs/dbraw/zinc/40/65/35/958406535.db2.gz CNDINYILDCBGOM-NXEZZACHSA-N 2 1 234.290 1.081 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCC1(F)F ZINC000403139180 958406546 /nfs/dbraw/zinc/40/65/46/958406546.db2.gz CNDINYILDCBGOM-NXEZZACHSA-N 2 1 234.290 1.081 20 0 BDADMP C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[N@@H+](C)C1CC1 ZINC000405238373 959425287 /nfs/dbraw/zinc/42/52/87/959425287.db2.gz VBHCKBJEIZUSPJ-KGYLQXTDSA-N 2 1 237.391 1.329 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCCCC2)C12CCC2 ZINC000405218055 959415612 /nfs/dbraw/zinc/41/56/12/959415612.db2.gz LFDMRAOXUGKMNK-OLZOCXBDSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@H](C[C@H]1CCOC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000689794503 960366104 /nfs/dbraw/zinc/36/61/04/960366104.db2.gz OICNBKSSDJRGNQ-TZMCWYRMSA-N 2 1 238.375 1.653 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc[nH]c3)C2)C1 ZINC000292755947 961302971 /nfs/dbraw/zinc/30/29/71/961302971.db2.gz IYUHNZQBTLIGOO-ZDUSSCGKSA-N 2 1 219.332 1.542 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc[nH]c3)C2)C1 ZINC000292755947 961302987 /nfs/dbraw/zinc/30/29/87/961302987.db2.gz IYUHNZQBTLIGOO-ZDUSSCGKSA-N 2 1 219.332 1.542 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC000292755947 961303027 /nfs/dbraw/zinc/30/30/27/961303027.db2.gz IYUHNZQBTLIGOO-ZDUSSCGKSA-N 2 1 219.332 1.542 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC000292755947 961303047 /nfs/dbraw/zinc/30/30/47/961303047.db2.gz IYUHNZQBTLIGOO-ZDUSSCGKSA-N 2 1 219.332 1.542 20 0 BDADMP C[N@@H+](CC1CCOCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697079097 963708226 /nfs/dbraw/zinc/70/82/26/963708226.db2.gz IMMKBVQHLGHUMW-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](F)C2)CC1 ZINC001168314449 964418308 /nfs/dbraw/zinc/41/83/08/964418308.db2.gz LGOFFKNRBHGAAY-UNXYVOJBSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000697909257 964676806 /nfs/dbraw/zinc/67/68/06/964676806.db2.gz OPBZYSCCGWPZIU-JHJVBQTASA-N 2 1 227.396 1.399 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2CSC2)CC[N@H+]1C ZINC000697967395 964806576 /nfs/dbraw/zinc/80/65/76/964806576.db2.gz HQNHGOYFLRKGKX-KOLCDFICSA-N 2 1 214.378 1.422 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CSC1 ZINC000697998431 964860699 /nfs/dbraw/zinc/86/06/99/964860699.db2.gz BDDYAPBGSSRDCU-VXGBXAGGSA-N 2 1 226.389 1.566 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000829274233 965611671 /nfs/dbraw/zinc/61/16/71/965611671.db2.gz BKPGEYNJJVTINN-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000829274233 965611683 /nfs/dbraw/zinc/61/16/83/965611683.db2.gz BKPGEYNJJVTINN-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H](C[N@H+]1CCC[C@H]([NH3+])CC1)C(F)(F)F ZINC001205094138 965723128 /nfs/dbraw/zinc/72/31/28/965723128.db2.gz IVSKNFCOHLFKOO-IUCAKERBSA-N 2 1 224.270 1.998 20 0 BDADMP COCC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699305499 965839630 /nfs/dbraw/zinc/83/96/30/965839630.db2.gz MXVVYPQWVSTKDT-YOGCLGLASA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc(F)nc2)C[C@H]1C[NH3+] ZINC001205135865 967384217 /nfs/dbraw/zinc/38/42/17/967384217.db2.gz AGNNUWJXJSBULX-GXSJLCMTSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(F)nc2)C[C@H]1C[NH3+] ZINC001205135865 967384229 /nfs/dbraw/zinc/38/42/29/967384229.db2.gz AGNNUWJXJSBULX-GXSJLCMTSA-N 2 1 223.295 1.247 20 0 BDADMP COC(C[N@H+]1CCC[C@@](C)(C[NH3+])CC1)OC ZINC001206295642 968200621 /nfs/dbraw/zinc/20/06/21/968200621.db2.gz MPSZYLKHGGIORA-GFCCVEGCSA-N 2 1 230.352 1.056 20 0 BDADMP C[N@@H+](C[C@H](O)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000685985632 968220559 /nfs/dbraw/zinc/22/05/59/968220559.db2.gz WRGWHNMSGLRMIH-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@H](O)C1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000685985632 968220565 /nfs/dbraw/zinc/22/05/65/968220565.db2.gz WRGWHNMSGLRMIH-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@H](O)C1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000685985632 968220575 /nfs/dbraw/zinc/22/05/75/968220575.db2.gz WRGWHNMSGLRMIH-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](CC[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206511842 968344985 /nfs/dbraw/zinc/34/49/85/968344985.db2.gz DKNSNPCGUNRRFR-AVGNSLFASA-N 2 1 242.407 1.700 20 0 BDADMP C[C@H](O)C[NH2+][C@H](CCN(C)C)c1ccccc1 ZINC001251969296 968410618 /nfs/dbraw/zinc/41/06/18/968410618.db2.gz XIBNGVZHOAVDML-GXTWGEPZSA-N 2 1 236.359 1.650 20 0 BDADMP C[C@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001251969296 968410621 /nfs/dbraw/zinc/41/06/21/968410621.db2.gz XIBNGVZHOAVDML-GXTWGEPZSA-N 2 1 236.359 1.650 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001206606539 968413522 /nfs/dbraw/zinc/41/35/22/968413522.db2.gz ONAQIGIQEVXAOC-KBPBESRZSA-N 2 1 239.407 1.437 20 0 BDADMP CC1(C)C[N@@H+](CCCC[NH3+])[C@](C)(CO)C1 ZINC001206745264 968452053 /nfs/dbraw/zinc/45/20/53/968452053.db2.gz RWCBBLOZTAMVFG-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252087003 968508651 /nfs/dbraw/zinc/50/86/51/968508651.db2.gz VOVBGFTVQBGEOU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001252087003 968508661 /nfs/dbraw/zinc/50/86/61/968508661.db2.gz VOVBGFTVQBGEOU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001252087003 968508669 /nfs/dbraw/zinc/50/86/69/968508669.db2.gz VOVBGFTVQBGEOU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(C)(C)C[NH+](C)C ZINC001207280318 968710135 /nfs/dbraw/zinc/71/01/35/968710135.db2.gz VACSWTWRNONNQW-QWHCGFSZSA-N 2 1 241.423 1.599 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@H](O)C1 ZINC001207275023 968708275 /nfs/dbraw/zinc/70/82/75/968708275.db2.gz INJVVAQHHDXZEQ-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP O[C@]1(CF)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436996 968769579 /nfs/dbraw/zinc/76/95/79/968769579.db2.gz ZGXGSBUKUNZKIZ-ZDUSSCGKSA-N 2 1 244.354 1.173 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@](C)(O)C2)CC1 ZINC001208108187 969001963 /nfs/dbraw/zinc/00/19/63/969001963.db2.gz QXKKJCRMIORUAD-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001253193740 969106246 /nfs/dbraw/zinc/10/62/46/969106246.db2.gz ILQQBOYUBLKXQB-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001253193740 969106250 /nfs/dbraw/zinc/10/62/50/969106250.db2.gz ILQQBOYUBLKXQB-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC3)C1 ZINC001208604079 969155805 /nfs/dbraw/zinc/15/58/05/969155805.db2.gz KXTCKNJOVVEEOZ-LBPRGKRZSA-N 2 1 224.348 1.051 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC3)C1 ZINC001208604079 969155809 /nfs/dbraw/zinc/15/58/09/969155809.db2.gz KXTCKNJOVVEEOZ-LBPRGKRZSA-N 2 1 224.348 1.051 20 0 BDADMP C[C@@H]1COCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607909 969161191 /nfs/dbraw/zinc/16/11/91/969161191.db2.gz NUXNRRMEFDHZDV-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@@H]1COCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607909 969161198 /nfs/dbraw/zinc/16/11/98/969161198.db2.gz NUXNRRMEFDHZDV-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@@H]1COCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607909 969161203 /nfs/dbraw/zinc/16/12/03/969161203.db2.gz NUXNRRMEFDHZDV-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001208612782 969168822 /nfs/dbraw/zinc/16/88/22/969168822.db2.gz NQYABAFWSARPGF-YNEHKIRRSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001208612782 969168829 /nfs/dbraw/zinc/16/88/29/969168829.db2.gz NQYABAFWSARPGF-YNEHKIRRSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001208612782 969168837 /nfs/dbraw/zinc/16/88/37/969168837.db2.gz NQYABAFWSARPGF-YNEHKIRRSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001208612782 969168839 /nfs/dbraw/zinc/16/88/39/969168839.db2.gz NQYABAFWSARPGF-YNEHKIRRSA-N 2 1 208.349 1.813 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208614169 969168970 /nfs/dbraw/zinc/16/89/70/969168970.db2.gz LBKGYQTZPHMASS-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC001208614169 969168973 /nfs/dbraw/zinc/16/89/73/969168973.db2.gz LBKGYQTZPHMASS-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC001208614169 969168977 /nfs/dbraw/zinc/16/89/77/969168977.db2.gz LBKGYQTZPHMASS-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(O)CC2)CC1 ZINC001169220297 969486795 /nfs/dbraw/zinc/48/67/95/969486795.db2.gz JLKBVYDKVIBLKB-XBXGTLAGSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508623 969677727 /nfs/dbraw/zinc/67/77/27/969677727.db2.gz KPLYMHLQZRLPHN-AVGNSLFASA-N 3 1 225.380 1.330 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508623 969677737 /nfs/dbraw/zinc/67/77/37/969677737.db2.gz KPLYMHLQZRLPHN-AVGNSLFASA-N 3 1 225.380 1.330 20 0 BDADMP CO[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254525799 969716371 /nfs/dbraw/zinc/71/63/71/969716371.db2.gz MFLLZWVNNKMTPC-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525799 969716379 /nfs/dbraw/zinc/71/63/79/969716379.db2.gz MFLLZWVNNKMTPC-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@@H](N2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001254521770 969713807 /nfs/dbraw/zinc/71/38/07/969713807.db2.gz XFQUDSXJVGXPMF-RNJOBUHISA-N 2 1 226.339 1.761 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525799 969716387 /nfs/dbraw/zinc/71/63/87/969716387.db2.gz MFLLZWVNNKMTPC-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001254525469 969718017 /nfs/dbraw/zinc/71/80/17/969718017.db2.gz JIRAMXCESJVBHF-RWMBFGLXSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001254525469 969718024 /nfs/dbraw/zinc/71/80/24/969718024.db2.gz JIRAMXCESJVBHF-RWMBFGLXSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001254525469 969718031 /nfs/dbraw/zinc/71/80/31/969718031.db2.gz JIRAMXCESJVBHF-RWMBFGLXSA-N 2 1 224.348 1.191 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254526984 969720300 /nfs/dbraw/zinc/72/03/00/969720300.db2.gz VDGGNYCLYYDDQZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H]1COCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254526984 969720309 /nfs/dbraw/zinc/72/03/09/969720309.db2.gz VDGGNYCLYYDDQZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H]1COCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254526984 969720314 /nfs/dbraw/zinc/72/03/14/969720314.db2.gz VDGGNYCLYYDDQZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H]1COCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254526984 969720320 /nfs/dbraw/zinc/72/03/20/969720320.db2.gz VDGGNYCLYYDDQZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCOC3(CC3)C2)CC1 ZINC001254531745 969732180 /nfs/dbraw/zinc/73/21/80/969732180.db2.gz LAZASWHMYMEBQR-LBPRGKRZSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCOC3(CC3)C2)CC1 ZINC001254531745 969732191 /nfs/dbraw/zinc/73/21/91/969732191.db2.gz LAZASWHMYMEBQR-LBPRGKRZSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCOC3(CC3)C2)CC1 ZINC001254531745 969732196 /nfs/dbraw/zinc/73/21/96/969732196.db2.gz LAZASWHMYMEBQR-LBPRGKRZSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCOC3(CC3)C2)CC1 ZINC001254531745 969732205 /nfs/dbraw/zinc/73/22/05/969732205.db2.gz LAZASWHMYMEBQR-LBPRGKRZSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)C1 ZINC001255413123 970135615 /nfs/dbraw/zinc/13/56/15/970135615.db2.gz XEVNOSJNJJCVRC-SECBINFHSA-N 2 1 238.722 1.354 20 0 BDADMP C[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)C1 ZINC001255413123 970135623 /nfs/dbraw/zinc/13/56/23/970135623.db2.gz XEVNOSJNJJCVRC-SECBINFHSA-N 2 1 238.722 1.354 20 0 BDADMP C[N@H+]1CC[C@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001255418354 970138439 /nfs/dbraw/zinc/13/84/39/970138439.db2.gz AUIJDMLUWHBJIJ-NSHDSACASA-N 2 1 223.295 1.400 20 0 BDADMP C[NH+](C)[C@@H]1CCCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255485337 970232206 /nfs/dbraw/zinc/23/22/06/970232206.db2.gz BLGFLTUYRUXHHJ-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC001255956497 970597765 /nfs/dbraw/zinc/59/77/65/970597765.db2.gz KUHREPAXKKQSCK-HZSPNIEDSA-N 2 1 242.407 1.810 20 0 BDADMP COC[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075430 970640315 /nfs/dbraw/zinc/64/03/15/970640315.db2.gz KJFHFRVPVYVNKZ-GFCCVEGCSA-N 2 1 238.375 1.582 20 0 BDADMP COC[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075430 970640336 /nfs/dbraw/zinc/64/03/36/970640336.db2.gz KJFHFRVPVYVNKZ-GFCCVEGCSA-N 2 1 238.375 1.582 20 0 BDADMP CN([C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C2CC2)CC1 ZINC001256078892 970651515 /nfs/dbraw/zinc/65/15/15/970651515.db2.gz DNRWIWONQVVAOG-CQSZACIVSA-N 2 1 237.391 1.249 20 0 BDADMP COC(CCC[NH2+]C1CC[NH+](C)CC1)OC ZINC001256200321 970698341 /nfs/dbraw/zinc/69/83/41/970698341.db2.gz QGKLAHAKRRUJLL-UHFFFAOYSA-N 2 1 230.352 1.069 20 0 BDADMP CCSC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001173311804 975221679 /nfs/dbraw/zinc/22/16/79/975221679.db2.gz OZRUTWJEWQYMIT-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CCSC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001173311804 975221688 /nfs/dbraw/zinc/22/16/88/975221688.db2.gz OZRUTWJEWQYMIT-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@H]([NH+](C)C(C)C)C2)C1 ZINC001173366581 975353193 /nfs/dbraw/zinc/35/31/93/975353193.db2.gz ARZVHZAHHIVACX-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@H]([N@H+](C)C(C)C)C2)C1 ZINC001173366581 975353205 /nfs/dbraw/zinc/35/32/05/975353205.db2.gz ARZVHZAHHIVACX-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@H]([N@@H+](C)C(C)C)C2)C1 ZINC001173366581 975353210 /nfs/dbraw/zinc/35/32/10/975353210.db2.gz ARZVHZAHHIVACX-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnsc3)C[C@@H]2C1 ZINC001232223811 977946106 /nfs/dbraw/zinc/94/61/06/977946106.db2.gz ACXGKQCCTAFVRZ-NEPJUHHUSA-N 2 1 237.372 1.527 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnsc3)C[C@@H]2C1 ZINC001232223811 977946114 /nfs/dbraw/zinc/94/61/14/977946114.db2.gz ACXGKQCCTAFVRZ-NEPJUHHUSA-N 2 1 237.372 1.527 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001235187463 978994207 /nfs/dbraw/zinc/99/42/07/978994207.db2.gz ZLNFQXAUKDWUOM-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCC[NH3+])CC1 ZINC001235673691 979111974 /nfs/dbraw/zinc/11/19/74/979111974.db2.gz CPCXDWIVAXSYTI-UHFFFAOYSA-N 3 1 241.423 1.778 20 0 BDADMP CC[C@H]([NH3+])C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703002 979128741 /nfs/dbraw/zinc/12/87/41/979128741.db2.gz ZZXSWPLBAQHQQX-AWEZNQCLSA-N 3 1 239.407 1.435 20 0 BDADMP CC[C@@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC001235769921 979144590 /nfs/dbraw/zinc/14/45/90/979144590.db2.gz ZTCIWJCRVYRSMF-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP CC[C@@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC001235769921 979144601 /nfs/dbraw/zinc/14/46/01/979144601.db2.gz ZTCIWJCRVYRSMF-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CCCCC1 ZINC001236014050 979300409 /nfs/dbraw/zinc/30/04/09/979300409.db2.gz DFKWLEXSRZQXHY-AAEUAGOBSA-N 2 1 208.349 1.990 20 0 BDADMP CC(C)[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001236468913 979604995 /nfs/dbraw/zinc/60/49/95/979604995.db2.gz NWWFINDLPDAXME-CQSZACIVSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)N(CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001236468913 979605000 /nfs/dbraw/zinc/60/50/00/979605000.db2.gz NWWFINDLPDAXME-CQSZACIVSA-N 2 1 239.407 1.448 20 0 BDADMP CCOC(=O)C[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C[C@@H]1C ZINC001237114647 979817831 /nfs/dbraw/zinc/81/78/31/979817831.db2.gz LMMRFVHBHLQUFP-SRVKXCTJSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)C[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C[C@@H]1C ZINC001237114647 979817836 /nfs/dbraw/zinc/81/78/36/979817836.db2.gz LMMRFVHBHLQUFP-SRVKXCTJSA-N 2 1 242.363 1.245 20 0 BDADMP COCOCCC[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205804317 982563899 /nfs/dbraw/zinc/56/38/99/982563899.db2.gz MTGRVLDAXYLVLC-NWDGAFQWSA-N 2 1 230.352 1.056 20 0 BDADMP COCOCCC[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205804317 982563911 /nfs/dbraw/zinc/56/39/11/982563911.db2.gz MTGRVLDAXYLVLC-NWDGAFQWSA-N 2 1 230.352 1.056 20 0 BDADMP CC[C@@H](C)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201516766 983314383 /nfs/dbraw/zinc/31/43/83/983314383.db2.gz AZKLPVCEAPWBGF-JHJVBQTASA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](CC(C)C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172395811 974752584 /nfs/dbraw/zinc/75/25/84/974752584.db2.gz QAZKUDXDSMRUBU-VXGBXAGGSA-N 2 1 239.363 1.742 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172442085 974802314 /nfs/dbraw/zinc/80/23/14/974802314.db2.gz RHIJNENBSCWHAU-VXGBXAGGSA-N 2 1 216.369 1.717 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579274 972914895 /nfs/dbraw/zinc/91/48/95/972914895.db2.gz UAQNBBQHRXTQQA-MELADBBJSA-N 3 1 239.407 1.578 20 0 BDADMP COCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614841 970877775 /nfs/dbraw/zinc/87/77/75/970877775.db2.gz KVAFAIUCTCUUTB-YOGCLGLASA-N 2 1 226.364 1.626 20 0 BDADMP COc1cccc2c1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C2 ZINC001256632070 970896546 /nfs/dbraw/zinc/89/65/46/970896546.db2.gz DAJDQLLYEKTDLE-GFCCVEGCSA-N 2 1 248.370 1.879 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC2)CCC1(F)F ZINC000403206867 970892150 /nfs/dbraw/zinc/89/21/50/970892150.db2.gz DAOIFRFQZKFEHE-SECBINFHSA-N 2 1 204.264 1.312 20 0 BDADMP CCO[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256629765 970892270 /nfs/dbraw/zinc/89/22/70/970892270.db2.gz TYZJKAQGSPDIGC-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP CCO[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256629765 970892278 /nfs/dbraw/zinc/89/22/78/970892278.db2.gz TYZJKAQGSPDIGC-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP CCO[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256629765 970892285 /nfs/dbraw/zinc/89/22/85/970892285.db2.gz TYZJKAQGSPDIGC-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001256719818 970939928 /nfs/dbraw/zinc/93/99/28/970939928.db2.gz UATANOAYWFCISI-GXTWGEPZSA-N 2 1 233.359 1.554 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+](C)CCC[NH+](C)C ZINC001256732595 970956941 /nfs/dbraw/zinc/95/69/41/970956941.db2.gz FTFIRUUPVFDYDW-CYBMUJFWSA-N 2 1 235.375 1.896 20 0 BDADMP Cc1ccc(C)c(NCCN(C)CC[NH3+])[nH+]1 ZINC001170498624 970981129 /nfs/dbraw/zinc/98/11/29/970981129.db2.gz WFPZBRQWLYAJRI-UHFFFAOYSA-N 2 1 222.336 1.001 20 0 BDADMP C[N@@H+](CCF)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865729 971000970 /nfs/dbraw/zinc/00/09/70/971000970.db2.gz TWKSREJZXSBTAC-UHFFFAOYSA-N 2 1 237.322 1.952 20 0 BDADMP CCC1CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001256866050 971003090 /nfs/dbraw/zinc/00/30/90/971003090.db2.gz QWMHRVXZVYHUQN-UHFFFAOYSA-N 2 1 214.353 1.208 20 0 BDADMP CCC1CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001256866050 971003098 /nfs/dbraw/zinc/00/30/98/971003098.db2.gz QWMHRVXZVYHUQN-UHFFFAOYSA-N 2 1 214.353 1.208 20 0 BDADMP [NH3+]Cc1ccnn1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894372 971011882 /nfs/dbraw/zinc/01/18/82/971011882.db2.gz HUPYEJZHONNQKN-AWEZNQCLSA-N 2 1 248.374 1.921 20 0 BDADMP C[C@@H](C[NH3+])CN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256910400 971018571 /nfs/dbraw/zinc/01/85/71/971018571.db2.gz ZFQDKGGBFGRYCZ-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907734 971023521 /nfs/dbraw/zinc/02/35/21/971023521.db2.gz HOHZDSBXEDTZGO-QWHCGFSZSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907734 971023529 /nfs/dbraw/zinc/02/35/29/971023529.db2.gz HOHZDSBXEDTZGO-QWHCGFSZSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](C[NH3+])CN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256910396 971019811 /nfs/dbraw/zinc/01/98/11/971019811.db2.gz ZFQDKGGBFGRYCZ-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP COC(=O)CC1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001256973997 971058311 /nfs/dbraw/zinc/05/83/11/971058311.db2.gz GBRIGHRCCGGCGN-MOENNCHZSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)CC1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001256973997 971058317 /nfs/dbraw/zinc/05/83/17/971058317.db2.gz GBRIGHRCCGGCGN-MOENNCHZSA-N 2 1 240.347 1.141 20 0 BDADMP CCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001257247059 971141722 /nfs/dbraw/zinc/14/17/22/971141722.db2.gz PCNKNDXLVKZLCN-NEPJUHHUSA-N 2 1 244.379 1.825 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000405014218 971188143 /nfs/dbraw/zinc/18/81/43/971188143.db2.gz GUNLQBXWYBSSHR-VHSXEESVSA-N 2 1 218.291 1.845 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000405014218 971188146 /nfs/dbraw/zinc/18/81/46/971188146.db2.gz GUNLQBXWYBSSHR-VHSXEESVSA-N 2 1 218.291 1.845 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405227129 971215808 /nfs/dbraw/zinc/21/58/08/971215808.db2.gz PAWKPZQQGNGIBX-JHJVBQTASA-N 2 1 237.391 1.188 20 0 BDADMP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)ccn1 ZINC000405244012 971221063 /nfs/dbraw/zinc/22/10/63/971221063.db2.gz YFEJVFDARHYEGU-NEPJUHHUSA-N 2 1 247.342 1.450 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405276873 971227145 /nfs/dbraw/zinc/22/71/45/971227145.db2.gz SBVRDHVSBGHYIC-QWRGUYRKSA-N 2 1 220.320 1.078 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccco2)C12CCC2 ZINC000405298099 971231837 /nfs/dbraw/zinc/23/18/37/971231837.db2.gz HDNZKNBEVKCAGI-GHMZBOCLSA-N 2 1 206.289 1.639 20 0 BDADMP [NH3+][C@H]1C[C@@H](NCC[N@H+]2CC=CCC2)C12CCC2 ZINC000405335837 971238686 /nfs/dbraw/zinc/23/86/86/971238686.db2.gz ZFTAWSBLVQOFEY-QWHCGFSZSA-N 2 1 235.375 1.108 20 0 BDADMP [NH3+][C@H]1C[C@@H](NCC[N@@H+]2CC=CCC2)C12CCC2 ZINC000405335837 971238689 /nfs/dbraw/zinc/23/86/89/971238689.db2.gz ZFTAWSBLVQOFEY-QWHCGFSZSA-N 2 1 235.375 1.108 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405352401 971241304 /nfs/dbraw/zinc/24/13/04/971241304.db2.gz OZRSJGHLGWTCGT-UPJWGTAASA-N 2 1 239.407 1.575 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405424671 971253666 /nfs/dbraw/zinc/25/36/66/971253666.db2.gz QOIUYZLAFRGPRN-VXGBXAGGSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000405681060 971294527 /nfs/dbraw/zinc/29/45/27/971294527.db2.gz URRPZVQZJSREOO-OFTGVCEQSA-N 2 1 226.364 1.482 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000405681060 971294540 /nfs/dbraw/zinc/29/45/40/971294540.db2.gz URRPZVQZJSREOO-OFTGVCEQSA-N 2 1 226.364 1.482 20 0 BDADMP CN(CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352913334 971294762 /nfs/dbraw/zinc/29/47/62/971294762.db2.gz GZESOQTZEBBQLC-PBWFPOADSA-N 2 1 239.407 1.495 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000405751450 971302664 /nfs/dbraw/zinc/30/26/64/971302664.db2.gz LQCFHSFMGJXBHZ-JBLDHEPKSA-N 2 1 223.320 1.205 20 0 BDADMP CCCC[C@@H](CC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257414117 971308426 /nfs/dbraw/zinc/30/84/26/971308426.db2.gz ICFVOWLIWZHNCN-VXGBXAGGSA-N 2 1 239.363 1.887 20 0 BDADMP CCCCCc1nnc([C@H]([NH3+])CCCC[NH3+])o1 ZINC001217699021 971333724 /nfs/dbraw/zinc/33/37/24/971333724.db2.gz JHEMGQQSGGGCJO-SNVBAGLBSA-N 2 1 240.351 1.931 20 0 BDADMP [NH3+]CCCC[C@H]([NH3+])c1nnc(C2CCCC2)o1 ZINC001217699004 971334426 /nfs/dbraw/zinc/33/44/26/971334426.db2.gz IYVKQFVQYHXUME-JTQLQIEISA-N 2 1 238.335 1.856 20 0 BDADMP CC(C)(C)Cc1nnc([C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217698816 971335522 /nfs/dbraw/zinc/33/55/22/971335522.db2.gz HPRCLUGUECJGBR-VIFPVBQESA-N 2 1 240.351 1.787 20 0 BDADMP CC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257445976 971363276 /nfs/dbraw/zinc/36/32/76/971363276.db2.gz VYXRVVOIBZDTBX-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257445976 971363281 /nfs/dbraw/zinc/36/32/81/971363281.db2.gz VYXRVVOIBZDTBX-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001257445976 971363288 /nfs/dbraw/zinc/36/32/88/971363288.db2.gz VYXRVVOIBZDTBX-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001257445976 971363296 /nfs/dbraw/zinc/36/32/96/971363296.db2.gz VYXRVVOIBZDTBX-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP CC[N@H+]1CC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217832842 971425737 /nfs/dbraw/zinc/42/57/37/971425737.db2.gz KYJOANHXYGLJIL-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP COC(=O)C1CCC([N@@H+](C)C[C@H](C)C[NH3+])CC1 ZINC001257858853 971505539 /nfs/dbraw/zinc/50/55/39/971505539.db2.gz WCGVGYNSUGYGLI-VOMCLLRMSA-N 2 1 242.363 1.245 20 0 BDADMP CC[NH+]1CC(Oc2cccc(C[NH3+])c2)C1 ZINC001217967832 971540630 /nfs/dbraw/zinc/54/06/30/971540630.db2.gz FQQGOATWKQADJG-UHFFFAOYSA-N 2 1 206.289 1.228 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC001258013805 971551301 /nfs/dbraw/zinc/55/13/01/971551301.db2.gz XONKWKLXELZTBG-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)C[NH+]1CCC([N@@H+](C)[C@@H]2CCOC2)CC1 ZINC001258014499 971557437 /nfs/dbraw/zinc/55/74/37/971557437.db2.gz MBHFCGVESVHRPP-CQSZACIVSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)Cc1ncccc1O[C@H]1CCC[NH2+]C1 ZINC001218279049 971670046 /nfs/dbraw/zinc/67/00/46/971670046.db2.gz RAOBHQVCZYHZKT-NSHDSACASA-N 2 1 235.331 1.274 20 0 BDADMP [NH3+]Cc1cccc(O[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001218365824 971746337 /nfs/dbraw/zinc/74/63/37/971746337.db2.gz HMGNLBBMCWKYGW-CYBMUJFWSA-N 2 1 243.310 1.736 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCCOCC1 ZINC001170792822 971832059 /nfs/dbraw/zinc/83/20/59/971832059.db2.gz TXSNANOTDBPMGD-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP [NH3+]CC1(F)CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001222526514 972541547 /nfs/dbraw/zinc/54/15/47/972541547.db2.gz CLTQUCVEBLIJPQ-GFCCVEGCSA-N 3 1 243.370 1.281 20 0 BDADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCCOCC3)C[C@H]21 ZINC001170832574 971941096 /nfs/dbraw/zinc/94/10/96/971941096.db2.gz BFVQGSRYXSMNRK-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP CCn1cncc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000310147660 971950907 /nfs/dbraw/zinc/95/09/07/971950907.db2.gz LYEQLSYKOGQGJO-GFCCVEGCSA-N 2 1 236.363 1.464 20 0 BDADMP c1cn2c(n1)CC[N@@H+]([C@H]1CCCOCC1)CC2 ZINC001170831480 971952403 /nfs/dbraw/zinc/95/24/03/971952403.db2.gz PUABZLKSABAWIF-LBPRGKRZSA-N 2 1 235.331 1.310 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+]([C@H]1CCCOCC1)CC2 ZINC001170831480 971952410 /nfs/dbraw/zinc/95/24/10/971952410.db2.gz PUABZLKSABAWIF-LBPRGKRZSA-N 2 1 235.331 1.310 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+]([C@H]1CCCOCC1)CC2 ZINC001170831480 971952415 /nfs/dbraw/zinc/95/24/15/971952415.db2.gz PUABZLKSABAWIF-LBPRGKRZSA-N 2 1 235.331 1.310 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)CCO1 ZINC000310244341 971960884 /nfs/dbraw/zinc/96/08/84/971960884.db2.gz UKIFMLRUTCFIAW-STQMWFEESA-N 2 1 237.347 1.739 20 0 BDADMP C[C@@H]([NH3+])CCNc1[nH+]ccc2cc[nH]c21 ZINC001170891002 972044953 /nfs/dbraw/zinc/04/49/53/972044953.db2.gz SBXBAJGPPMBZGS-MRVPVSSYSA-N 2 1 204.277 1.712 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246018686 972117311 /nfs/dbraw/zinc/11/73/11/972117311.db2.gz FMZKVJQIQTVNPP-JHJVBQTASA-N 2 1 242.407 1.700 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246074709 972129525 /nfs/dbraw/zinc/12/95/25/972129525.db2.gz BTFZBRMCZUDODH-OBJOEFQTSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095505 972149040 /nfs/dbraw/zinc/14/90/40/972149040.db2.gz BLPFLHFPLATWEM-MEBFFEOJSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCN(C)CC1 ZINC001246106120 972170131 /nfs/dbraw/zinc/17/01/31/972170131.db2.gz CTOAIVRYTHBFHB-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC001246106789 972170258 /nfs/dbraw/zinc/17/02/58/972170258.db2.gz FTFLTENTOGJJOR-STQMWFEESA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106681 972168390 /nfs/dbraw/zinc/16/83/90/972168390.db2.gz DXKKBSVZILMTNH-MEBFFEOJSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246115638 972181788 /nfs/dbraw/zinc/18/17/88/972181788.db2.gz ZIQGQQONVORYIR-RWMBFGLXSA-N 3 1 239.407 1.495 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246185173 972209419 /nfs/dbraw/zinc/20/94/19/972209419.db2.gz ABYLPDQDCICFAB-NSHDSACASA-N 2 1 228.336 1.061 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C)nn1 ZINC000396570166 956982481 /nfs/dbraw/zinc/98/24/81/956982481.db2.gz AGSRRFZGALLQOM-UHFFFAOYSA-N 2 1 231.303 1.080 20 0 BDADMP CS[C@@H](C)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208152549 957033186 /nfs/dbraw/zinc/03/31/86/957033186.db2.gz IABRTPGGVGLZAC-SDDRHHMPSA-N 2 1 228.405 1.621 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000705532328 957305325 /nfs/dbraw/zinc/30/53/25/957305325.db2.gz MMDDUCPHUVDBLX-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP C[N@@H+]([C@@H]1COC(C)(C)C1)C1CCC([NH3+])CC1 ZINC000396951555 957395504 /nfs/dbraw/zinc/39/55/04/957395504.db2.gz YTQHJUQQZMEBSP-MCIGGMRASA-N 2 1 226.364 1.756 20 0 BDADMP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001246320656 972276726 /nfs/dbraw/zinc/27/67/26/972276726.db2.gz ZXPXTNBCTAQPGI-ZRUFSTJUSA-N 2 1 210.321 1.071 20 0 BDADMP C[NH+](C)[C@H](C[NH2+]C1CCOCC1)C1CC1 ZINC000164442052 957602017 /nfs/dbraw/zinc/60/20/17/957602017.db2.gz VBJLQUHTUQIZNK-GFCCVEGCSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1cc2cc[nH]c2c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001167270009 957613056 /nfs/dbraw/zinc/61/30/56/957613056.db2.gz IPXMSVMLGOTIDJ-NSHDSACASA-N 2 1 230.315 1.987 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)CCC(C)C ZINC001246400811 972310345 /nfs/dbraw/zinc/31/03/45/972310345.db2.gz HZJPANFNUJURBY-NEPJUHHUSA-N 2 1 244.379 1.681 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081469 972359768 /nfs/dbraw/zinc/35/97/68/972359768.db2.gz YCCZUEIFYGSTOU-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)(C)O)CC[NH2+]1 ZINC000707564120 958589510 /nfs/dbraw/zinc/58/95/10/958589510.db2.gz KIWREYDVEYAZHL-WOPDTQHZSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1CC[C@H]([NH+]2CCC3(COC3)CC2)C[NH2+]1 ZINC001246521091 972374127 /nfs/dbraw/zinc/37/41/27/972374127.db2.gz CNHFCKKCGQSZFZ-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)S1 ZINC000693564134 958814561 /nfs/dbraw/zinc/81/45/61/958814561.db2.gz ZULSNWDUYDEKAA-DTIDVZRVSA-N 2 1 214.378 1.550 20 0 BDADMP C[N@H+](Cc1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693595709 958915204 /nfs/dbraw/zinc/91/52/04/958915204.db2.gz MABAFHNNPAASTK-BJHJDKERSA-N 2 1 222.307 1.995 20 0 BDADMP Cc1[nH+]cc(CN2CCC[C@@]23CCC[NH2+]C3)n1C ZINC001222237943 972420331 /nfs/dbraw/zinc/42/03/31/972420331.db2.gz XNLANKITUIGGRM-CQSZACIVSA-N 2 1 248.374 1.447 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000300356547 959376940 /nfs/dbraw/zinc/37/69/40/959376940.db2.gz MYLUIQFYIVDTAN-LPWJVIDDSA-N 2 1 210.365 1.962 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405211212 959415192 /nfs/dbraw/zinc/41/51/92/959415192.db2.gz IDSMPQDMWRXEOQ-UPJWGTAASA-N 2 1 237.391 1.330 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC1(C)C)C2 ZINC000308966541 959602015 /nfs/dbraw/zinc/60/20/15/959602015.db2.gz MRFDAAIASNKLII-USZNOCQGSA-N 2 1 208.349 2.000 20 0 BDADMP COC(=O)CC(C)(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000694066886 959711343 /nfs/dbraw/zinc/71/13/43/959711343.db2.gz YNDGDUZOJADMKF-NSHDSACASA-N 2 1 242.363 1.402 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385051 972451343 /nfs/dbraw/zinc/45/13/43/972451343.db2.gz DPJQJEMOGRFMSP-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385051 972451345 /nfs/dbraw/zinc/45/13/45/972451345.db2.gz DPJQJEMOGRFMSP-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000310201536 959725608 /nfs/dbraw/zinc/72/56/08/959725608.db2.gz BXXORNSUTCDODA-UHFFFAOYSA-N 2 1 229.327 1.934 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000688021081 959764258 /nfs/dbraw/zinc/76/42/58/959764258.db2.gz INJUVQXKYZHSLN-KXNHARMFSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000688021081 959764269 /nfs/dbraw/zinc/76/42/69/959764269.db2.gz INJUVQXKYZHSLN-KXNHARMFSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801837 960597097 /nfs/dbraw/zinc/59/70/97/960597097.db2.gz HPHNGHXVTQMOKG-PWSUYJOCSA-N 2 1 245.326 1.908 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801837 960597101 /nfs/dbraw/zinc/59/71/01/960597101.db2.gz HPHNGHXVTQMOKG-PWSUYJOCSA-N 2 1 245.326 1.908 20 0 BDADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)[nH]n1 ZINC001203082477 960776453 /nfs/dbraw/zinc/77/64/53/960776453.db2.gz SMDXOUFREMNNSC-UHFFFAOYSA-N 2 1 234.347 1.246 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000423279190 960861177 /nfs/dbraw/zinc/86/11/77/960861177.db2.gz RRLUFBWKGWRYON-WDEREUQCSA-N 2 1 222.336 1.360 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399046194 961061043 /nfs/dbraw/zinc/06/10/43/961061043.db2.gz URIBCGLHEKPXRK-SDDRHHMPSA-N 2 1 214.353 1.124 20 0 BDADMP CCSCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399166858 961089923 /nfs/dbraw/zinc/08/99/23/961089923.db2.gz FEPLFBTYSDAZEG-ZJUUUORDSA-N 2 1 202.367 1.470 20 0 BDADMP COc1ccc2[nH+]c(C)cc(NC=[NH2+])c2c1 ZINC001167866840 961351691 /nfs/dbraw/zinc/35/16/91/961351691.db2.gz FZSCSAQSZFTIJS-UHFFFAOYSA-N 2 1 215.256 1.993 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400045579 962193707 /nfs/dbraw/zinc/19/37/07/962193707.db2.gz RWYBTRHPKPHLQX-NXEZZACHSA-N 2 1 218.291 1.701 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400045579 962193712 /nfs/dbraw/zinc/19/37/12/962193712.db2.gz RWYBTRHPKPHLQX-NXEZZACHSA-N 2 1 218.291 1.701 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCOCC1 ZINC000710454342 962379053 /nfs/dbraw/zinc/37/90/53/962379053.db2.gz LTUJFPWQXNYCQW-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000696328331 962812143 /nfs/dbraw/zinc/81/21/43/962812143.db2.gz CBPQOLZLSZAKHA-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000696328331 962812145 /nfs/dbraw/zinc/81/21/45/962812145.db2.gz CBPQOLZLSZAKHA-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP C1[C@@H]2C[C@@H]([NH+]3CCC([NH+]4CCC4)CC3)C[C@H]12 ZINC001167960311 962852569 /nfs/dbraw/zinc/85/25/69/962852569.db2.gz XUTLVEAZMLXXFV-DABQJJPHSA-N 2 1 220.360 1.955 20 0 BDADMP [NH3+]C[C@H]1CN(c2ccc3c([nH+]2)CCCC3)CCO1 ZINC000712379306 962875475 /nfs/dbraw/zinc/87/54/75/962875475.db2.gz BLQYYPXBSWOGCA-LBPRGKRZSA-N 2 1 247.342 1.124 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000696594045 963268438 /nfs/dbraw/zinc/26/84/38/963268438.db2.gz LDOKEBVBKDBYEA-MCIONIFRSA-N 2 1 240.391 1.590 20 0 BDADMP CC(C)[NH+]1CCC(CNc2cc(N)[nH+]cn2)CC1 ZINC001156501161 963371039 /nfs/dbraw/zinc/37/10/39/963371039.db2.gz BNUMQANCLYHBTR-UHFFFAOYSA-N 2 1 249.362 1.591 20 0 BDADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(N)[nH+]cn1 ZINC001157804048 963730842 /nfs/dbraw/zinc/73/08/42/963730842.db2.gz ZTSIEYFTCSZSDL-UWVGGRQHSA-N 2 1 235.335 1.344 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001168138522 963838720 /nfs/dbraw/zinc/83/87/20/963838720.db2.gz QMQQCWBORMKHHH-NEPJUHHUSA-N 2 1 235.331 1.309 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001168138522 963838723 /nfs/dbraw/zinc/83/87/23/963838723.db2.gz QMQQCWBORMKHHH-NEPJUHHUSA-N 2 1 235.331 1.309 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CCC([NH+]3CCC3)CC2)CCO1 ZINC001168145837 963861382 /nfs/dbraw/zinc/86/13/82/963861382.db2.gz UXFLPFCAGNFRLI-GXTWGEPZSA-N 2 1 238.375 1.724 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)CCO1 ZINC001168145838 963862993 /nfs/dbraw/zinc/86/29/93/963862993.db2.gz UXFLPFCAGNFRLI-JSGCOSHPSA-N 2 1 238.375 1.724 20 0 BDADMP Cc1cc(C)[nH+]c(N2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001158424688 963868646 /nfs/dbraw/zinc/86/86/46/963868646.db2.gz HDXHHIIOYMDKIM-LBPRGKRZSA-N 2 1 217.316 1.593 20 0 BDADMP Cc1cc(C)[nH+]c(N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001158424688 963868653 /nfs/dbraw/zinc/86/86/53/963868653.db2.gz HDXHHIIOYMDKIM-LBPRGKRZSA-N 2 1 217.316 1.593 20 0 BDADMP CC(C)Oc1ccnc(N2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001158433924 963875746 /nfs/dbraw/zinc/87/57/46/963875746.db2.gz PUSKDYPVCPVKLT-GFCCVEGCSA-N 2 1 247.342 1.763 20 0 BDADMP CCN(C)c1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001158628661 963898563 /nfs/dbraw/zinc/89/85/63/963898563.db2.gz IKWNKDWVGKYODB-LLVKDONJSA-N 2 1 249.362 1.487 20 0 BDADMP Nc1ccc(NC2=CCC[NH2+]CC2)c[nH+]1 ZINC001159281967 964049718 /nfs/dbraw/zinc/04/97/18/964049718.db2.gz JZIBMHJMMPPXGQ-UHFFFAOYSA-N 2 1 204.277 1.343 20 0 BDADMP C[C@@H](Nc1cccc(C2CC2)[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159502347 964117192 /nfs/dbraw/zinc/11/71/92/964117192.db2.gz MDAFUHDBPAEPRK-ZWNOBZJWSA-N 2 1 247.342 1.748 20 0 BDADMP C[C@@H]([NH3+])CCNc1nc(N2CCCCC2)cc[nH+]1 ZINC001159773168 964190615 /nfs/dbraw/zinc/19/06/15/964190615.db2.gz WXRNOAQCASLWFG-LLVKDONJSA-N 2 1 249.362 1.616 20 0 BDADMP Cc1c[nH+]c(NCC[C@@H](C)[NH3+])nc1NC1CC1 ZINC001159773660 964191152 /nfs/dbraw/zinc/19/11/52/964191152.db2.gz ZDPYTTUQNMKJBD-SECBINFHSA-N 2 1 235.335 1.509 20 0 BDADMP C[N@@H+](Cc1ccc(NCC(C)(C)[NH3+])nc1)C1CC1 ZINC001160032379 964241997 /nfs/dbraw/zinc/24/19/97/964241997.db2.gz UGQKRTYNBOHLNO-UHFFFAOYSA-N 2 1 248.374 1.825 20 0 BDADMP Nc1nc(-n2ccc3cccc(C[NH3+])c32)cc[nH+]1 ZINC001160461204 964310398 /nfs/dbraw/zinc/31/03/98/964310398.db2.gz VMVCMANCZYSROP-UHFFFAOYSA-N 2 1 239.282 1.461 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])C1CCC([NH+](C)C)CC1 ZINC001168294986 964390004 /nfs/dbraw/zinc/39/00/04/964390004.db2.gz MHMUZGBGEAEYBL-UHFFFAOYSA-N 3 1 241.423 1.918 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001168313366 964421203 /nfs/dbraw/zinc/42/12/03/964421203.db2.gz AMSJTKKOYTXNHR-FIYWTHMPSA-N 2 1 244.354 1.264 20 0 BDADMP C[C@H]1COCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315367 964425009 /nfs/dbraw/zinc/42/50/09/964425009.db2.gz VJZZLEZXJHJYBL-IYXRBSQSSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327885 964458729 /nfs/dbraw/zinc/45/87/29/964458729.db2.gz RULUJDMJRRJSKO-RYSNWHEDSA-N 2 1 240.391 1.704 20 0 BDADMP CCO[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168329568 964459951 /nfs/dbraw/zinc/45/99/51/964459951.db2.gz XYMOQMDWAHKBSQ-JXQTWKCFSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC1=[NH+]CCCCN1 ZINC000697708352 964502379 /nfs/dbraw/zinc/50/23/79/964502379.db2.gz ZVRDOBGJKKVILA-LLVKDONJSA-N 2 1 226.368 1.046 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)C[NH+](C)C ZINC000926958900 964524983 /nfs/dbraw/zinc/52/49/83/964524983.db2.gz IGJWZCBECPDSIH-RDBSUJKOSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2CSC2)CC[N@H+]1C ZINC000697967396 964805861 /nfs/dbraw/zinc/80/58/61/964805861.db2.gz HQNHGOYFLRKGKX-MWLCHTKSSA-N 2 1 214.378 1.422 20 0 BDADMP Nc1cc(NC[C@]2(CC3CC3)CCC[NH2+]2)nc[nH+]1 ZINC001162353651 964940878 /nfs/dbraw/zinc/94/08/78/964940878.db2.gz WGYSCTWNXYLAGY-CYBMUJFWSA-N 2 1 247.346 1.393 20 0 BDADMP CC(=O)Nc1cc[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162390997 964953682 /nfs/dbraw/zinc/95/36/82/964953682.db2.gz KTDUBXQBNQFBPU-MNOVXSKESA-N 2 1 248.330 1.722 20 0 BDADMP C[C@@H]1C[C@@H](CNc2nc3c(ccn3C)c[nH+]2)C[NH2+]1 ZINC001162554475 965043100 /nfs/dbraw/zinc/04/31/00/965043100.db2.gz CZLCQBLITIFNEZ-NXEZZACHSA-N 2 1 245.330 1.378 20 0 BDADMP COc1c[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)cc1C ZINC001162557883 965049961 /nfs/dbraw/zinc/04/99/61/965049961.db2.gz NQXZDXAXSNGNDR-GHMZBOCLSA-N 2 1 235.331 1.809 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695736690 965072836 /nfs/dbraw/zinc/07/28/36/965072836.db2.gz HACZQHRNXNTYPW-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP C1=C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000698205073 965106368 /nfs/dbraw/zinc/10/63/68/965106368.db2.gz NMYDZAAWFJFNCH-AVGNSLFASA-N 2 1 206.333 1.921 20 0 BDADMP C[N@@H+]1CCO[C@@H](CNc2cc[nH+]c(C3CC3)c2)C1 ZINC001162689433 965123085 /nfs/dbraw/zinc/12/30/85/965123085.db2.gz GGWCOJHSQDZRIV-ZDUSSCGKSA-N 2 1 247.342 1.702 20 0 BDADMP C[N@H+]1CCO[C@@H](CNc2cc[nH+]c(C3CC3)c2)C1 ZINC001162689433 965123094 /nfs/dbraw/zinc/12/30/94/965123094.db2.gz GGWCOJHSQDZRIV-ZDUSSCGKSA-N 2 1 247.342 1.702 20 0 BDADMP CCc1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)nc(C)[nH+]1 ZINC001162797192 965186209 /nfs/dbraw/zinc/18/62/09/965186209.db2.gz JYHQNIDJZGUNGH-CYZMBNFOSA-N 2 1 244.342 1.533 20 0 BDADMP Cn1ccccc1=[N+]1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162841872 965190540 /nfs/dbraw/zinc/19/05/40/965190540.db2.gz RHGYCUKFQOKGIR-ZDUSSCGKSA-N 2 1 240.330 1.533 20 0 BDADMP CCC[N@@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC000094011944 965370813 /nfs/dbraw/zinc/37/08/13/965370813.db2.gz CGLULLFPVYPYCF-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+](Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000094011519 965371544 /nfs/dbraw/zinc/37/15/44/965371544.db2.gz NIRDOBXJXKXZOR-UHFFFAOYSA-N 2 1 233.359 1.903 20 0 BDADMP C[C@]1(C(F)F)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000698812064 965528518 /nfs/dbraw/zinc/52/85/18/965528518.db2.gz KJJWEAVHZSLHQA-JFGNBEQYSA-N 2 1 248.317 1.470 20 0 BDADMP COc1cc2[nH+]ccn2cc1N[C@H](C)C[NH+](C)C ZINC001163782860 965586171 /nfs/dbraw/zinc/58/61/71/965586171.db2.gz SGJYXFQDTKHMCD-SNVBAGLBSA-N 2 1 248.330 1.705 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC2)CCC1(F)F ZINC000403248230 965604429 /nfs/dbraw/zinc/60/44/29/965604429.db2.gz RRUGAAGZCATUAI-JTQLQIEISA-N 2 1 218.291 1.702 20 0 BDADMP CC[C@H]1COCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000829274243 965612530 /nfs/dbraw/zinc/61/25/30/965612530.db2.gz BKPGEYNJJVTINN-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H]1COCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000829274243 965612520 /nfs/dbraw/zinc/61/25/20/965612520.db2.gz BKPGEYNJJVTINN-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205093698 965719005 /nfs/dbraw/zinc/71/90/05/965719005.db2.gz FBTCYTGNAJYQEL-AWEZNQCLSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH3+])CC1)C(F)(F)F ZINC001205094137 965722778 /nfs/dbraw/zinc/72/27/78/965722778.db2.gz IVSKNFCOHLFKOO-DTWKUNHWSA-N 2 1 224.270 1.998 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2cnc3ccccn23)CC1 ZINC001205094488 965730076 /nfs/dbraw/zinc/73/00/76/965730076.db2.gz MVEPKMBEWYLAMX-GFCCVEGCSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)CC1 ZINC001205094488 965730094 /nfs/dbraw/zinc/73/00/94/965730094.db2.gz MVEPKMBEWYLAMX-GFCCVEGCSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CCCc2cccnc2)CC1 ZINC001205095505 965752447 /nfs/dbraw/zinc/75/24/47/965752447.db2.gz YIQFBVQIRADSJH-AWEZNQCLSA-N 2 1 233.359 1.827 20 0 BDADMP C[C@@]1(C[NH3+])CCCN(c2cc[nH+]c(N)n2)CC1 ZINC001164247377 965809064 /nfs/dbraw/zinc/80/90/64/965809064.db2.gz IBAOBBJAEVPJJE-GFCCVEGCSA-N 2 1 235.335 1.014 20 0 BDADMP CC[C@H]1COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699209216 965813662 /nfs/dbraw/zinc/81/36/62/965813662.db2.gz IAKJHGIWASCBDR-GSPSYOTPSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2CN)CC1 ZINC000715196649 965821006 /nfs/dbraw/zinc/82/10/06/965821006.db2.gz XNOZXMAWIGWOFB-WXRRBKDZSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000715196649 965821015 /nfs/dbraw/zinc/82/10/15/965821015.db2.gz XNOZXMAWIGWOFB-WXRRBKDZSA-N 3 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000715196649 965821017 /nfs/dbraw/zinc/82/10/17/965821017.db2.gz XNOZXMAWIGWOFB-WXRRBKDZSA-N 3 1 225.380 1.282 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(O)cc2F)CC1 ZINC001205109547 965829881 /nfs/dbraw/zinc/82/98/81/965829881.db2.gz IGQICZMFGPSQAE-LLVKDONJSA-N 2 1 238.306 1.845 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(O)cc2F)CC1 ZINC001205109547 965829889 /nfs/dbraw/zinc/82/98/89/965829889.db2.gz IGQICZMFGPSQAE-LLVKDONJSA-N 2 1 238.306 1.845 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001205109514 965830466 /nfs/dbraw/zinc/83/04/66/965830466.db2.gz HIAPSDQCBGSTGF-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP C[C@H](Cc1cccc(F)c1)[NH2+]C1(C[NH3+])CC1 ZINC001168475071 965858132 /nfs/dbraw/zinc/85/81/32/965858132.db2.gz WIIZZTYUEFAVNX-SNVBAGLBSA-N 2 1 222.307 1.838 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117907 965874012 /nfs/dbraw/zinc/87/40/12/965874012.db2.gz YPTTVHQVUFYVBP-GFCCVEGCSA-N 2 1 235.331 1.409 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000699500004 965923176 /nfs/dbraw/zinc/92/31/76/965923176.db2.gz ZOPDAKVBMZWGOL-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000699534059 965948051 /nfs/dbraw/zinc/94/80/51/965948051.db2.gz QKHUOTRXLQXYNU-ZYHUDNBSSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c(N)c1 ZINC001165185482 965975167 /nfs/dbraw/zinc/97/51/67/965975167.db2.gz UCSZVGIHVXZIJC-FZMZJTMJSA-N 2 1 246.358 1.360 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCOCC1 ZINC001235039607 965989805 /nfs/dbraw/zinc/98/98/05/965989805.db2.gz VWOJQCFMFFRIRV-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCOCC1 ZINC001235039607 965989818 /nfs/dbraw/zinc/98/98/18/965989818.db2.gz VWOJQCFMFFRIRV-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235039706 965993295 /nfs/dbraw/zinc/99/32/95/965993295.db2.gz XMPUGZMZCVSXPY-ZUWCUPBKSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235039706 965993313 /nfs/dbraw/zinc/99/33/13/965993313.db2.gz XMPUGZMZCVSXPY-ZUWCUPBKSA-N 2 1 238.375 1.626 20 0 BDADMP Cc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235051357 965999261 /nfs/dbraw/zinc/99/92/61/965999261.db2.gz JGSRYPBXGQPSIU-HNNXBMFYSA-N 2 1 245.370 1.132 20 0 BDADMP Cc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235051357 965999277 /nfs/dbraw/zinc/99/92/77/965999277.db2.gz JGSRYPBXGQPSIU-HNNXBMFYSA-N 2 1 245.370 1.132 20 0 BDADMP CCOc1ccncc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140934 966025612 /nfs/dbraw/zinc/02/56/12/966025612.db2.gz SZIQBTYEISHVJM-NWDGAFQWSA-N 2 1 249.358 1.507 20 0 BDADMP CCOc1ccncc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140934 966025629 /nfs/dbraw/zinc/02/56/29/966025629.db2.gz SZIQBTYEISHVJM-NWDGAFQWSA-N 2 1 249.358 1.507 20 0 BDADMP Cc1[nH+]cc2n1CCN(c1cc(N)cc[nH+]1)C2 ZINC001165384080 966073373 /nfs/dbraw/zinc/07/33/73/966073373.db2.gz CPHUKXVWIIWECQ-UHFFFAOYSA-N 2 1 229.287 1.189 20 0 BDADMP c1cn2c([nH+]1)CC[C@@H](OCC[NH+]1CCCCC1)C2 ZINC001206709858 966164607 /nfs/dbraw/zinc/16/46/07/966164607.db2.gz REETZTMUJGSVSX-CYBMUJFWSA-N 2 1 249.358 1.700 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)[C@]1(C)CCCNC1 ZINC001236201939 966308625 /nfs/dbraw/zinc/30/86/25/966308625.db2.gz OTSXGAQNUXOSCZ-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@]1(C)CCCNC1 ZINC001236201939 966308631 /nfs/dbraw/zinc/30/86/31/966308631.db2.gz OTSXGAQNUXOSCZ-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384730 966654263 /nfs/dbraw/zinc/65/42/63/966654263.db2.gz XSBIGMBTGCZHEW-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384730 966654272 /nfs/dbraw/zinc/65/42/72/966654272.db2.gz XSBIGMBTGCZHEW-ZIAGYGMSSA-N 2 1 239.407 1.579 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3(C)COC3)C[C@H]2CC1 ZINC001276415800 966737923 /nfs/dbraw/zinc/73/79/23/966737923.db2.gz SDNGXBFOALJHCD-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(C)COC3)C[C@H]2CC1 ZINC001276415800 966737928 /nfs/dbraw/zinc/73/79/28/966737928.db2.gz SDNGXBFOALJHCD-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3(C)COC3)C[C@H]2CC1 ZINC001276415800 966737934 /nfs/dbraw/zinc/73/79/34/966737934.db2.gz SDNGXBFOALJHCD-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](CC1(C)COC1)CC2 ZINC001276415851 966738986 /nfs/dbraw/zinc/73/89/86/966738986.db2.gz TXBOAAXCHYHZBF-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC ZINC000715506586 966939114 /nfs/dbraw/zinc/93/91/14/966939114.db2.gz PAQPEVWKYWOJCS-MCIGGMRASA-N 2 1 242.363 1.400 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001204801886 967174623 /nfs/dbraw/zinc/17/46/23/967174623.db2.gz WCYSFGHXFBVCCK-AWEZNQCLSA-N 2 1 231.343 1.578 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001204801886 967174637 /nfs/dbraw/zinc/17/46/37/967174637.db2.gz WCYSFGHXFBVCCK-AWEZNQCLSA-N 2 1 231.343 1.578 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@H](Nc2cc(N)[nH+]cn2)C1 ZINC000715569794 967184443 /nfs/dbraw/zinc/18/44/43/967184443.db2.gz HQPUOEOYNCVCOV-UWVGGRQHSA-N 2 1 235.335 1.344 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@H](Nc2cc(N)nc[nH+]2)C1 ZINC000715569794 967184450 /nfs/dbraw/zinc/18/44/50/967184450.db2.gz HQPUOEOYNCVCOV-UWVGGRQHSA-N 2 1 235.335 1.344 20 0 BDADMP CCc1nccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205093852 967339281 /nfs/dbraw/zinc/33/92/81/967339281.db2.gz GPYLDRQRXHGXHV-LLVKDONJSA-N 2 1 234.347 1.352 20 0 BDADMP CCc1nccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205093852 967339289 /nfs/dbraw/zinc/33/92/89/967339289.db2.gz GPYLDRQRXHGXHV-LLVKDONJSA-N 2 1 234.347 1.352 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c2OCO3)CC1 ZINC001205109524 967354400 /nfs/dbraw/zinc/35/44/00/967354400.db2.gz HMTCKLNQMLRXIJ-LBPRGKRZSA-N 2 1 248.326 1.729 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)CC1 ZINC001205109524 967354409 /nfs/dbraw/zinc/35/44/09/967354409.db2.gz HMTCKLNQMLRXIJ-LBPRGKRZSA-N 2 1 248.326 1.729 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3ccncc23)CC1 ZINC001205109151 967354485 /nfs/dbraw/zinc/35/44/85/967354485.db2.gz BPDMYZVHIFMWJJ-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2cnc3cc[nH]cc2-3)CC1 ZINC001205109151 967354495 /nfs/dbraw/zinc/35/44/95/967354495.db2.gz BPDMYZVHIFMWJJ-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnc3cc[nH]cc2-3)CC1 ZINC001205109151 967354503 /nfs/dbraw/zinc/35/45/03/967354503.db2.gz BPDMYZVHIFMWJJ-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001205110136 967356291 /nfs/dbraw/zinc/35/62/91/967356291.db2.gz PJJZRABBMRUCJY-ZDUSSCGKSA-N 2 1 244.342 1.876 20 0 BDADMP Cc1nc(F)ccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117812 967366724 /nfs/dbraw/zinc/36/67/24/967366724.db2.gz VZMPWURGBIGYGX-LBPRGKRZSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1nc(F)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117812 967366734 /nfs/dbraw/zinc/36/67/34/967366734.db2.gz VZMPWURGBIGYGX-LBPRGKRZSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1nc(N)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117960 967369427 /nfs/dbraw/zinc/36/94/27/967369427.db2.gz ZPUXWHMZWNJCQX-LBPRGKRZSA-N 2 1 234.347 1.285 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)[nH]1 ZINC001205136141 967382312 /nfs/dbraw/zinc/38/23/12/967382312.db2.gz QPXYIZWRHWLGHM-GXSJLCMTSA-N 2 1 207.321 1.350 20 0 BDADMP Cc1cc(F)ncc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146104 967388052 /nfs/dbraw/zinc/38/80/52/967388052.db2.gz OLBKZSOZOJRWQK-WDEREUQCSA-N 2 1 237.322 1.556 20 0 BDADMP Cc1cc(F)ncc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146104 967388065 /nfs/dbraw/zinc/38/80/65/967388065.db2.gz OLBKZSOZOJRWQK-WDEREUQCSA-N 2 1 237.322 1.556 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnc1F ZINC001205146197 967388266 /nfs/dbraw/zinc/38/82/66/967388266.db2.gz SEJABZDWHBOJGG-CMPLNLGQSA-N 2 1 237.322 1.556 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnc1F ZINC001205146197 967388275 /nfs/dbraw/zinc/38/82/75/967388275.db2.gz SEJABZDWHBOJGG-CMPLNLGQSA-N 2 1 237.322 1.556 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)C[C@H]1C[NH3+] ZINC001205145700 967390735 /nfs/dbraw/zinc/39/07/35/967390735.db2.gz BFIIMTRIQSVMEN-CMPLNLGQSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCN3)C[C@H]1C[NH3+] ZINC001205150701 967393156 /nfs/dbraw/zinc/39/31/56/967393156.db2.gz HYKMDYRXDZHXSK-WCQYABFASA-N 2 1 245.370 1.681 20 0 BDADMP CCOc1cncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205150424 967393870 /nfs/dbraw/zinc/39/38/70/967393870.db2.gz BPCGROCYGNLVBT-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP CCOc1cncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205150424 967393879 /nfs/dbraw/zinc/39/38/79/967393879.db2.gz BPCGROCYGNLVBT-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359012 967401659 /nfs/dbraw/zinc/40/16/59/967401659.db2.gz JSCABNPBTGKVFH-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@H](CO)C[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359760 967401761 /nfs/dbraw/zinc/40/17/61/967401761.db2.gz NMPXFWMZAYUTAM-OCCSQVGLSA-N 2 1 240.391 1.279 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205170673 967404765 /nfs/dbraw/zinc/40/47/65/967404765.db2.gz AYISADXUSOJDCA-DGCLKSJQSA-N 3 1 225.380 1.140 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205170673 967404771 /nfs/dbraw/zinc/40/47/71/967404771.db2.gz AYISADXUSOJDCA-DGCLKSJQSA-N 3 1 225.380 1.140 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](N)[C@H]2C)CC1 ZINC001205170673 967404775 /nfs/dbraw/zinc/40/47/75/967404775.db2.gz AYISADXUSOJDCA-DGCLKSJQSA-N 2 1 225.380 1.140 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](N)[C@H]2C)CC1 ZINC001205170673 967404780 /nfs/dbraw/zinc/40/47/80/967404780.db2.gz AYISADXUSOJDCA-DGCLKSJQSA-N 2 1 225.380 1.140 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205256532 967448451 /nfs/dbraw/zinc/44/84/51/967448451.db2.gz PEBOZOJSYQRWED-GFCCVEGCSA-N 2 1 228.336 1.143 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)nc2)CC1 ZINC001205265232 967454691 /nfs/dbraw/zinc/45/46/91/967454691.db2.gz OWARDRAFOJBPBW-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)nc2)CC1 ZINC001205265232 967454698 /nfs/dbraw/zinc/45/46/98/967454698.db2.gz OWARDRAFOJBPBW-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP Cc1nccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205266978 967458185 /nfs/dbraw/zinc/45/81/85/967458185.db2.gz ZDSBEKXLPASBEL-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205266978 967458193 /nfs/dbraw/zinc/45/81/93/967458193.db2.gz ZDSBEKXLPASBEL-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccncc2N)CC1 ZINC001205274050 967467391 /nfs/dbraw/zinc/46/73/91/967467391.db2.gz SOJNWIFJTNHXMH-CYBMUJFWSA-N 2 1 234.347 1.367 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)o1 ZINC001205288370 967482329 /nfs/dbraw/zinc/48/23/29/967482329.db2.gz JUUDPWRIGBDFPX-CYBMUJFWSA-N 2 1 237.347 1.995 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)o1 ZINC001205289572 967485666 /nfs/dbraw/zinc/48/56/66/967485666.db2.gz ZEGLXIHUKGQXQO-GFCCVEGCSA-N 2 1 223.320 1.686 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)o1 ZINC001205289572 967485676 /nfs/dbraw/zinc/48/56/76/967485676.db2.gz ZEGLXIHUKGQXQO-GFCCVEGCSA-N 2 1 223.320 1.686 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2c1CCN2 ZINC001205332367 967547152 /nfs/dbraw/zinc/54/71/52/967547152.db2.gz PTDMGKPTWRZQEU-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c1CCN2 ZINC001205332367 967547169 /nfs/dbraw/zinc/54/71/69/967547169.db2.gz PTDMGKPTWRZQEU-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1CC[N@@H+](CCCC[NH3+])CC[C@@]1(C)O ZINC001205539373 967677159 /nfs/dbraw/zinc/67/71/59/967677159.db2.gz XSSBCAWHLGCZKQ-NWDGAFQWSA-N 2 1 214.353 1.208 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545335 967688079 /nfs/dbraw/zinc/68/80/79/967688079.db2.gz DLGGWZMXDDQCLG-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cn1 ZINC001205545385 967691320 /nfs/dbraw/zinc/69/13/20/967691320.db2.gz FZGLDSVSCHRRRL-GFCCVEGCSA-N 2 1 240.326 1.073 20 0 BDADMP CCn1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cn1 ZINC001205552874 967695556 /nfs/dbraw/zinc/69/55/56/967695556.db2.gz RVRCUQRPCPFSAW-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccncn2)CC1 ZINC001205558999 967696824 /nfs/dbraw/zinc/69/68/24/967696824.db2.gz MUZHXNRAMXHSMZ-GFCCVEGCSA-N 2 1 238.310 1.130 20 0 BDADMP C[C@H]1CC[N@@H+](CC23CC([NH3+])(C2)C3)CC[C@H]1C[NH3+] ZINC001205602530 967718687 /nfs/dbraw/zinc/71/86/87/967718687.db2.gz JFVNDYNCVQWBQR-FEPKRQSRSA-N 3 1 237.391 1.175 20 0 BDADMP C[C@@H]1CC[N@@H+](CC23CC([NH3+])(C2)C3)CC[C@H]1C[NH3+] ZINC001205602532 967719665 /nfs/dbraw/zinc/71/96/65/967719665.db2.gz JFVNDYNCVQWBQR-KBHBFKLGSA-N 3 1 237.391 1.175 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC001205601929 967720599 /nfs/dbraw/zinc/72/05/99/967720599.db2.gz GSUWZYXKGUURFP-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP Cc1nccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)n1 ZINC001205618402 967725029 /nfs/dbraw/zinc/72/50/29/967725029.db2.gz VTDZUAHQULKGDM-AAEUAGOBSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnccn2)CC[C@@H]1C[NH3+] ZINC001205617889 967728506 /nfs/dbraw/zinc/72/85/06/967728506.db2.gz OUAYIWULYZEWBR-VXGBXAGGSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccns2)CC[C@H]1C[NH3+] ZINC001205637900 967734549 /nfs/dbraw/zinc/73/45/49/967734549.db2.gz JUFNEAMZLPJNKB-QWRGUYRKSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cc[nH]c2)CC[C@@H]1C[NH3+] ZINC001205627223 967737478 /nfs/dbraw/zinc/73/74/78/967737478.db2.gz NYSDRROPXXMONT-WCQYABFASA-N 2 1 221.348 1.822 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001205803899 967829029 /nfs/dbraw/zinc/82/90/29/967829029.db2.gz KISLLIJVTGSCSQ-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])N(CC[C@H]2CCC[NH2+]C2)C1 ZINC001205803899 967829037 /nfs/dbraw/zinc/82/90/37/967829037.db2.gz KISLLIJVTGSCSQ-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCCCc2ccccc2)C[C@H]1O ZINC001205946174 967895899 /nfs/dbraw/zinc/89/58/99/967895899.db2.gz JPUHHZSKDOKZBJ-HUUCEWRRSA-N 2 1 248.370 1.403 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3occc32)C[C@H]1O ZINC001205973161 967919146 /nfs/dbraw/zinc/91/91/46/967919146.db2.gz JTQPWTVGZNSNBL-CHWSQXEVSA-N 2 1 246.310 1.327 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3occc32)C[C@H]1O ZINC001205973161 967919166 /nfs/dbraw/zinc/91/91/66/967919166.db2.gz JTQPWTVGZNSNBL-CHWSQXEVSA-N 2 1 246.310 1.327 20 0 BDADMP CCC1(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)COC1 ZINC001205981490 967920714 /nfs/dbraw/zinc/92/07/14/967920714.db2.gz DSMCPRSJNVYKEY-STQMWFEESA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCOCC2)CCC[C@H]1C[NH3+] ZINC001205981135 967923401 /nfs/dbraw/zinc/92/34/01/967923401.db2.gz BUYCPSSMAKVLLK-OCCSQVGLSA-N 2 1 240.391 1.720 20 0 BDADMP COCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985669 967940275 /nfs/dbraw/zinc/94/02/75/967940275.db2.gz ZMBJLNLPKWEANY-CHWSQXEVSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccn2C)CCC[C@@H]1C[NH3+] ZINC001205996738 967949167 /nfs/dbraw/zinc/94/91/67/967949167.db2.gz XZVSMFPHAPTWGE-VXGBXAGGSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nccs2)CCC[C@@H]1C[NH3+] ZINC001205992928 967951155 /nfs/dbraw/zinc/95/11/55/967951155.db2.gz GFIAOJLOJIKNQU-WDEREUQCSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccon2)CCC[C@H]1C[NH3+] ZINC001205996561 967952253 /nfs/dbraw/zinc/95/22/53/967952253.db2.gz XGPOYRVXVRELQI-QWRGUYRKSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncn2)CCC[C@H]1C[NH3+] ZINC001206003900 967957829 /nfs/dbraw/zinc/95/78/29/967957829.db2.gz NKHFSXQWGAPMEU-RYUDHWBXSA-N 2 1 234.347 1.283 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003697 967961549 /nfs/dbraw/zinc/96/15/49/967961549.db2.gz LJITUMPZFVQSEM-YPMHNXCESA-N 2 1 248.374 1.592 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](Nc2cc(N)[nH+]cn2)[C@@H](C)C1 ZINC001163364779 968027450 /nfs/dbraw/zinc/02/74/50/968027450.db2.gz FFMHZOZHAYBPRC-QWRGUYRKSA-N 2 1 249.362 1.590 20 0 BDADMP CC(C)[N@H+]1CC[C@H](Nc2cc(N)[nH+]cn2)[C@@H](C)C1 ZINC001163364779 968027459 /nfs/dbraw/zinc/02/74/59/968027459.db2.gz FFMHZOZHAYBPRC-QWRGUYRKSA-N 2 1 249.362 1.590 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCCn2cccn2)CC[C@H]1F ZINC001206154452 968091650 /nfs/dbraw/zinc/09/16/50/968091650.db2.gz JBOGOFBDYZXSSR-VXGBXAGGSA-N 2 1 240.326 1.034 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCCn2cccn2)CC[C@H]1F ZINC001206154452 968091658 /nfs/dbraw/zinc/09/16/58/968091658.db2.gz JBOGOFBDYZXSSR-VXGBXAGGSA-N 2 1 240.326 1.034 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001206154228 968094146 /nfs/dbraw/zinc/09/41/46/968094146.db2.gz HQEIAXNFOBGNKS-QWHCGFSZSA-N 2 1 243.370 1.089 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206154228 968094157 /nfs/dbraw/zinc/09/41/57/968094157.db2.gz HQEIAXNFOBGNKS-QWHCGFSZSA-N 3 1 243.370 1.089 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206154228 968094165 /nfs/dbraw/zinc/09/41/65/968094165.db2.gz HQEIAXNFOBGNKS-QWHCGFSZSA-N 3 1 243.370 1.089 20 0 BDADMP N[C@@H]1CC[N@@H+](Cc2ccc[nH]c2=O)CC[C@H]1F ZINC001206167031 968104157 /nfs/dbraw/zinc/10/41/57/968104157.db2.gz WETNCQONGVVXKV-GHMZBOCLSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc[nH]c2=O)CC[C@H]1F ZINC001206167031 968104172 /nfs/dbraw/zinc/10/41/72/968104172.db2.gz WETNCQONGVVXKV-GHMZBOCLSA-N 2 1 239.294 1.048 20 0 BDADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001206276040 968190354 /nfs/dbraw/zinc/19/03/54/968190354.db2.gz AUMYWBMCENNBFN-LBPRGKRZSA-N 2 1 245.370 1.696 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296997 968206849 /nfs/dbraw/zinc/20/68/49/968206849.db2.gz WBTDSQNSUUYTML-CYBMUJFWSA-N 2 1 242.363 1.391 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206305401 968214908 /nfs/dbraw/zinc/21/49/08/968214908.db2.gz YJRJSPWLIDBJEZ-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnccc2N)CC1 ZINC001206305424 968216177 /nfs/dbraw/zinc/21/61/77/968216177.db2.gz ZAAIXCPPGQXSSD-CQSZACIVSA-N 2 1 248.374 1.445 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2[O-])CC1 ZINC001206311630 968218925 /nfs/dbraw/zinc/21/89/25/968218925.db2.gz RRJCLEIXWMPGBE-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccncc2O)CC1 ZINC001206311630 968218936 /nfs/dbraw/zinc/21/89/36/968218936.db2.gz RRJCLEIXWMPGBE-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2O)CC1 ZINC001206311630 968218943 /nfs/dbraw/zinc/21/89/43/968218943.db2.gz RRJCLEIXWMPGBE-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1cccc(C)c1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206518634 968351274 /nfs/dbraw/zinc/35/12/74/968351274.db2.gz BCTGGTKSDFVBFP-JSGCOSHPSA-N 2 1 234.343 1.055 20 0 BDADMP Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206525367 968356112 /nfs/dbraw/zinc/35/61/12/968356112.db2.gz ODTONBIMZQDGBI-GJZGRUSLSA-N 2 1 248.370 1.363 20 0 BDADMP COC(=O)CCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542115 968366882 /nfs/dbraw/zinc/36/68/82/968366882.db2.gz RQXIZSXPBMHLER-CYBMUJFWSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ncccc2O)C1 ZINC001206548778 968371363 /nfs/dbraw/zinc/37/13/63/968371363.db2.gz IVWXYCORWRCKAY-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ncccc2O)C1 ZINC001206548778 968371369 /nfs/dbraw/zinc/37/13/69/968371369.db2.gz IVWXYCORWRCKAY-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1[nH+]cc(CNCC[C@H](C)[NH+](C)C)n1C ZINC000689732506 968372667 /nfs/dbraw/zinc/37/26/67/968372667.db2.gz VSANGSHNISZBED-JTQLQIEISA-N 2 1 224.352 1.158 20 0 BDADMP Cn1cnc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206548112 968372633 /nfs/dbraw/zinc/37/26/33/968372633.db2.gz GTRGJHARHXAJSV-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP Cn1cnc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206548112 968372643 /nfs/dbraw/zinc/37/26/43/968372643.db2.gz GTRGJHARHXAJSV-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccnn2)C1 ZINC001206556407 968379856 /nfs/dbraw/zinc/37/98/56/968379856.db2.gz RFIRIQLCVARVDU-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccnn2)C1 ZINC001206556407 968379862 /nfs/dbraw/zinc/37/98/62/968379862.db2.gz RFIRIQLCVARVDU-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cncc(O)c2)C1 ZINC001206565594 968387079 /nfs/dbraw/zinc/38/70/79/968387079.db2.gz USKUHOMKQZIYTB-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001206565594 968387085 /nfs/dbraw/zinc/38/70/85/968387085.db2.gz USKUHOMKQZIYTB-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001206616848 968419303 /nfs/dbraw/zinc/41/93/03/968419303.db2.gz RKBKPTYFEZRXIF-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001206744193 968451714 /nfs/dbraw/zinc/45/17/14/968451714.db2.gz GXWFXLVAGIZJIR-SECBINFHSA-N 2 1 224.270 1.795 20 0 BDADMP CCOC(=O)CC[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207285377 968718986 /nfs/dbraw/zinc/71/89/86/968718986.db2.gz ITISSFKAJIOJHO-UHFFFAOYSA-N 2 1 244.379 1.459 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@H]12 ZINC001207399071 968749768 /nfs/dbraw/zinc/74/97/68/968749768.db2.gz YLQXLTOFPGJAMG-MRVWCRGKSA-N 2 1 238.375 1.295 20 0 BDADMP CN(C)C[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207398358 968751737 /nfs/dbraw/zinc/75/17/37/968751737.db2.gz JWCHOHUMQKGQRQ-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+](CC1CC[NH+](C)CC1)C1COC1 ZINC001207399060 968752544 /nfs/dbraw/zinc/75/25/44/968752544.db2.gz XKQRMJMHEMERFI-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207394774 968752963 /nfs/dbraw/zinc/75/29/63/968752963.db2.gz LZKDUPDOXLSKKM-ZDUSSCGKSA-N 2 1 226.364 1.297 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001207436257 968768141 /nfs/dbraw/zinc/76/81/41/968768141.db2.gz YVQNDGNPYYFQPB-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@H]2O1 ZINC001207435790 968768312 /nfs/dbraw/zinc/76/83/12/968768312.db2.gz MUGRLIVELYFHGD-FPMFFAJLSA-N 2 1 238.375 1.485 20 0 BDADMP FC(F)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207437659 968770391 /nfs/dbraw/zinc/77/03/91/968770391.db2.gz NUHQZSDRMTWMKJ-NSHDSACASA-N 2 1 232.318 1.963 20 0 BDADMP C[N@H+]1C[C@H]2CCCN(CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001207439102 968773546 /nfs/dbraw/zinc/77/35/46/968773546.db2.gz MPOTZLMRDGXPLB-ZIAGYGMSSA-N 2 1 237.391 1.012 20 0 BDADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)CCC1=O ZINC001207439080 968774535 /nfs/dbraw/zinc/77/45/35/968774535.db2.gz LIBAOSBBAGARHS-UHFFFAOYSA-N 2 1 224.348 1.287 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001207479372 968793247 /nfs/dbraw/zinc/79/32/47/968793247.db2.gz GXRFVMRYYWJKCT-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@](C)(O)C2)CC1 ZINC001207481758 968796718 /nfs/dbraw/zinc/79/67/18/968796718.db2.gz OEEZSZSEBFHLNC-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+]1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207480097 968798616 /nfs/dbraw/zinc/79/86/16/968798616.db2.gz UFZYWKAGDBDDPK-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[N@H+](CCC1CC[NH+](C)CC1)Cc1ncccn1 ZINC001207480169 968800006 /nfs/dbraw/zinc/80/00/06/968800006.db2.gz VSQVUGNPOVCZCQ-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ncccn1 ZINC001207480169 968800010 /nfs/dbraw/zinc/80/00/10/968800010.db2.gz VSQVUGNPOVCZCQ-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207489217 968801201 /nfs/dbraw/zinc/80/12/01/968801201.db2.gz VLOIYUJHVZMBKH-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000829274887 968825802 /nfs/dbraw/zinc/82/58/02/968825802.db2.gz IFVZBKLZUZTLMK-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001207835408 968897385 /nfs/dbraw/zinc/89/73/85/968897385.db2.gz BTNUCRQEUSJLCS-RAIGVLPGSA-N 2 1 235.331 1.413 20 0 BDADMP Cc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001207835408 968897389 /nfs/dbraw/zinc/89/73/89/968897389.db2.gz BTNUCRQEUSJLCS-RAIGVLPGSA-N 2 1 235.331 1.413 20 0 BDADMP CC[N@H+](C)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001207894793 968919521 /nfs/dbraw/zinc/91/95/21/968919521.db2.gz XJSLIARRFDKYHI-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001207894793 968919526 /nfs/dbraw/zinc/91/95/26/968919526.db2.gz XJSLIARRFDKYHI-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2CCn3nccc3C2)CC1 ZINC001208110358 969009564 /nfs/dbraw/zinc/00/95/64/969009564.db2.gz BONORGPNKMXAIV-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCn3nccc3C2)CC1 ZINC001208110358 969009576 /nfs/dbraw/zinc/00/95/76/969009576.db2.gz BONORGPNKMXAIV-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCCCC12CC2 ZINC001253187926 969105614 /nfs/dbraw/zinc/10/56/14/969105614.db2.gz LKYWYGXMNOEJMB-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCCCC12CC2 ZINC001253187926 969105619 /nfs/dbraw/zinc/10/56/19/969105619.db2.gz LKYWYGXMNOEJMB-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CC(OC)OC)CC1 ZINC001208597232 969151832 /nfs/dbraw/zinc/15/18/32/969151832.db2.gz FHPJVAZVNOESNP-UHFFFAOYSA-N 2 1 244.379 1.269 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](CCCO)C(C)C)CC1 ZINC001208599053 969151875 /nfs/dbraw/zinc/15/18/75/969151875.db2.gz DCZWRFSEZAMBOM-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208609220 969161853 /nfs/dbraw/zinc/16/18/53/969161853.db2.gz ZHNUHLZMXUMVKS-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208609220 969161860 /nfs/dbraw/zinc/16/18/60/969161860.db2.gz ZHNUHLZMXUMVKS-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208609220 969161865 /nfs/dbraw/zinc/16/18/65/969161865.db2.gz ZHNUHLZMXUMVKS-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208609220 969161873 /nfs/dbraw/zinc/16/18/73/969161873.db2.gz ZHNUHLZMXUMVKS-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208614169 969168965 /nfs/dbraw/zinc/16/89/65/969168965.db2.gz LBKGYQTZPHMASS-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CCO3)C2)C1 ZINC001208613437 969170019 /nfs/dbraw/zinc/17/00/19/969170019.db2.gz UENYJDBIZUMZBF-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]3(CCO3)C2)C1 ZINC001208613437 969170022 /nfs/dbraw/zinc/17/00/22/969170022.db2.gz UENYJDBIZUMZBF-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]3(CCO3)C2)C1 ZINC001208613437 969170032 /nfs/dbraw/zinc/17/00/32/969170032.db2.gz UENYJDBIZUMZBF-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@H]1CCC[NH+](C)C1)C2 ZINC001208617552 969175241 /nfs/dbraw/zinc/17/52/41/969175241.db2.gz PXDCZJJWOOLQRX-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208617552 969175250 /nfs/dbraw/zinc/17/52/50/969175250.db2.gz PXDCZJJWOOLQRX-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208617552 969175255 /nfs/dbraw/zinc/17/52/55/969175255.db2.gz PXDCZJJWOOLQRX-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@H+]1CC=C(Nc2ccc3[nH+]ccn3c2)CC1 ZINC001208741166 969229936 /nfs/dbraw/zinc/22/99/36/969229936.db2.gz FROQSLWSYCGGLO-UHFFFAOYSA-N 2 1 228.299 1.966 20 0 BDADMP C[N@@H+]1CC=C(Nc2ccc3[nH+]ccn3c2)CC1 ZINC001208741166 969229947 /nfs/dbraw/zinc/22/99/47/969229947.db2.gz FROQSLWSYCGGLO-UHFFFAOYSA-N 2 1 228.299 1.966 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCC[C@@H]1C[NH3+] ZINC001205994848 969248150 /nfs/dbraw/zinc/24/81/50/969248150.db2.gz MNQSUPRMGVJSQV-WCQYABFASA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc[nH]c2=O)CCC[C@@H]1C[NH3+] ZINC001205995846 969266985 /nfs/dbraw/zinc/26/69/85/969266985.db2.gz RBCYZLOXNIHVCX-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP CO[C@H]1CCC[C@@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000723470240 969318829 /nfs/dbraw/zinc/31/88/29/969318829.db2.gz RNBWMODQHZIIDR-WISYIIOYSA-N 2 1 212.337 1.223 20 0 BDADMP Cc1cnc(C[NH3+])n1-c1ccc2[nH+]c(N)[nH]c2c1 ZINC001169029452 969348071 /nfs/dbraw/zinc/34/80/71/969348071.db2.gz QLZNLUFJRMIDBL-UHFFFAOYSA-N 2 1 242.286 1.098 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC(=O)C1)C2 ZINC001169097846 969389356 /nfs/dbraw/zinc/38/93/56/969389356.db2.gz CMZMBPDLACYBOI-ZSBIGDGJSA-N 2 1 222.332 1.180 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC(=O)C1)C2 ZINC001169097846 969389360 /nfs/dbraw/zinc/38/93/60/969389360.db2.gz CMZMBPDLACYBOI-ZSBIGDGJSA-N 2 1 222.332 1.180 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CO)C(C)(C)C)C2 ZINC001169098420 969393981 /nfs/dbraw/zinc/39/39/81/969393981.db2.gz HVFRSQGGUOSWAT-RVMXOQNASA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)C2 ZINC001169080419 969402472 /nfs/dbraw/zinc/40/24/72/969402472.db2.gz NGGJODPQQHRGRN-HPCHECBXSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001169082314 969403379 /nfs/dbraw/zinc/40/33/79/969403379.db2.gz YOZYXSMGICOMPV-NWBUJAPZSA-N 2 1 224.348 1.115 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001253787586 969406244 /nfs/dbraw/zinc/40/62/44/969406244.db2.gz COSRKKKZPMFAHW-BFHYXJOUSA-N 2 1 242.407 1.712 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCn1cccc1)C2 ZINC001169091276 969407591 /nfs/dbraw/zinc/40/75/91/969407591.db2.gz QAUAOHWVCAMADG-ZSOGYDGISA-N 2 1 233.359 1.703 20 0 BDADMP CCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091677 969408442 /nfs/dbraw/zinc/40/84/42/969408442.db2.gz UNVFMZZTKPDVHH-XYYAHUGASA-N 2 1 226.364 1.628 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169089257 969409105 /nfs/dbraw/zinc/40/91/05/969409105.db2.gz AEEGAFNLTIOGIR-ZSOGYDGISA-N 2 1 248.374 1.443 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169089257 969409110 /nfs/dbraw/zinc/40/91/10/969409110.db2.gz AEEGAFNLTIOGIR-ZSOGYDGISA-N 2 1 248.374 1.443 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(CO)CCC1)C2 ZINC001169091142 969410698 /nfs/dbraw/zinc/41/06/98/969410698.db2.gz ODXHWJYKKNPHRD-CLLJXQQHSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cnoc1)C2 ZINC001169116374 969411691 /nfs/dbraw/zinc/41/16/91/969411691.db2.gz QASQXWCKEJFESQ-CLLJXQQHSA-N 2 1 235.331 1.432 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H]1C1CC1)C2 ZINC001169123709 969421902 /nfs/dbraw/zinc/42/19/02/969421902.db2.gz MPKDTWVBKZRKPV-ITGHMWBKSA-N 2 1 220.360 2.000 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@](C)(O)C1)C2 ZINC001169127140 969432490 /nfs/dbraw/zinc/43/24/90/969432490.db2.gz ZYTKEHUATOLYML-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@](C)(O)C1)C2 ZINC001169127140 969432497 /nfs/dbraw/zinc/43/24/97/969432497.db2.gz ZYTKEHUATOLYML-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@](C)(O)C1)C2 ZINC001169127140 969432503 /nfs/dbraw/zinc/43/25/03/969432503.db2.gz ZYTKEHUATOLYML-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[NH+](C)CC1)C2 ZINC001169126968 969433505 /nfs/dbraw/zinc/43/35/05/969433505.db2.gz YMMGWKLXAQZHFA-WDNDVIMCSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[N@H+](C)CC1)C2 ZINC001169126968 969433515 /nfs/dbraw/zinc/43/35/15/969433515.db2.gz YMMGWKLXAQZHFA-WDNDVIMCSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[N@@H+](C)CC1)C2 ZINC001169126968 969433521 /nfs/dbraw/zinc/43/35/21/969433521.db2.gz YMMGWKLXAQZHFA-WDNDVIMCSA-N 2 1 237.391 1.249 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC13COC3)C2 ZINC001169140343 969442222 /nfs/dbraw/zinc/44/22/22/969442222.db2.gz JJDNJXQIEYMPCW-ITGUQSILSA-N 2 1 236.359 1.476 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC13COC3)C2 ZINC001169140343 969442224 /nfs/dbraw/zinc/44/22/24/969442224.db2.gz JJDNJXQIEYMPCW-ITGUQSILSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC13COC3)C2 ZINC001169140343 969442240 /nfs/dbraw/zinc/44/22/40/969442240.db2.gz JJDNJXQIEYMPCW-ITGUQSILSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC13COC3)C2 ZINC001169140343 969442253 /nfs/dbraw/zinc/44/22/53/969442253.db2.gz JJDNJXQIEYMPCW-ITGUQSILSA-N 2 1 236.359 1.476 20 0 BDADMP CC[C@@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109455 969444815 /nfs/dbraw/zinc/44/48/15/969444815.db2.gz IRKVWCZGBHLILB-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccnc(F)c1)C2 ZINC001169108407 969445167 /nfs/dbraw/zinc/44/51/67/969445167.db2.gz SJMFSNVVOYGICP-XYYAHUGASA-N 2 1 249.333 1.936 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccnc(F)c1)C2 ZINC001169108407 969445175 /nfs/dbraw/zinc/44/51/75/969445175.db2.gz SJMFSNVVOYGICP-XYYAHUGASA-N 2 1 249.333 1.936 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cccc1CC[NH3+])C2 ZINC001169107179 969446589 /nfs/dbraw/zinc/44/65/89/969446589.db2.gz FTVXYFGXNBCFKA-BTTYYORXSA-N 2 1 233.359 1.787 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108170 969446880 /nfs/dbraw/zinc/44/68/80/969446880.db2.gz OZNOFEVCEPWIHF-RGDJUOJXSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CCC[C@H]3C1)C2 ZINC001169139638 969450177 /nfs/dbraw/zinc/45/01/77/969450177.db2.gz CNJIRVOYFBDMIX-XGUBFFRZSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC001169139638 969450182 /nfs/dbraw/zinc/45/01/82/969450182.db2.gz CNJIRVOYFBDMIX-XGUBFFRZSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001169139638 969450188 /nfs/dbraw/zinc/45/01/88/969450188.db2.gz CNJIRVOYFBDMIX-XGUBFFRZSA-N 2 1 249.402 1.392 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169112831 969458261 /nfs/dbraw/zinc/45/82/61/969458261.db2.gz TYQXRXSZISWNDF-FQUUOJAGSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C2 ZINC001169114089 969458549 /nfs/dbraw/zinc/45/85/49/969458549.db2.gz WQQMHYKTLKRCPD-MLGHIDQZSA-N 2 1 238.375 1.361 20 0 BDADMP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC001169144138 969461674 /nfs/dbraw/zinc/46/16/74/969461674.db2.gz JTCZAENEDZGHIQ-MQYQWHSLSA-N 2 1 237.391 1.248 20 0 BDADMP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC001169144138 969461684 /nfs/dbraw/zinc/46/16/84/969461684.db2.gz JTCZAENEDZGHIQ-MQYQWHSLSA-N 2 1 237.391 1.248 20 0 BDADMP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC001169144138 969461695 /nfs/dbraw/zinc/46/16/95/969461695.db2.gz JTCZAENEDZGHIQ-MQYQWHSLSA-N 2 1 237.391 1.248 20 0 BDADMP C[NH+](C)C1(C)CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169145942 969463278 /nfs/dbraw/zinc/46/32/78/969463278.db2.gz NMODRKZTFUQNSL-CLLJXQQHSA-N 2 1 237.391 1.248 20 0 BDADMP CC[N@@H+](CC(C)(C)O)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147487 969468378 /nfs/dbraw/zinc/46/83/78/969468378.db2.gz UGGAVJMQVQOCBG-ITGUQSILSA-N 2 1 240.391 1.704 20 0 BDADMP CC[NH+](CC(C)(C)O)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147487 969468391 /nfs/dbraw/zinc/46/83/91/969468391.db2.gz UGGAVJMQVQOCBG-ITGUQSILSA-N 2 1 240.391 1.704 20 0 BDADMP CC[NH+](CC(C)(C)O)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147487 969468402 /nfs/dbraw/zinc/46/84/02/969468402.db2.gz UGGAVJMQVQOCBG-ITGUQSILSA-N 2 1 240.391 1.704 20 0 BDADMP Cc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)nc(N)[nH+]1 ZINC000690358577 969469486 /nfs/dbraw/zinc/46/94/86/969469486.db2.gz TYHQADWVURZGDI-JTQLQIEISA-N 2 1 249.362 1.652 20 0 BDADMP CC[NH+]1CCC([NH2+]C(C)(C)CCO)CC1 ZINC001169224285 969493014 /nfs/dbraw/zinc/49/30/14/969493014.db2.gz HLGFZVZKGISPMH-UHFFFAOYSA-N 2 1 214.353 1.221 20 0 BDADMP CC[NH+]1CCC([NH2+]CC(C)(OC)OC)CC1 ZINC001169230268 969501236 /nfs/dbraw/zinc/50/12/36/969501236.db2.gz VBVLCOJFCYDWDZ-UHFFFAOYSA-N 2 1 230.352 1.069 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001169245488 969529849 /nfs/dbraw/zinc/52/98/49/969529849.db2.gz FMPKIYCGTAAQCT-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001169245488 969529855 /nfs/dbraw/zinc/52/98/55/969529855.db2.gz FMPKIYCGTAAQCT-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001169244192 969532127 /nfs/dbraw/zinc/53/21/27/969532127.db2.gz GYRYRGRNEQAKLZ-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001169244192 969532133 /nfs/dbraw/zinc/53/21/33/969532133.db2.gz GYRYRGRNEQAKLZ-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP CCN1CCC([NH+]2CC3(C2)CCCOC3)CC1 ZINC001169246194 969534814 /nfs/dbraw/zinc/53/48/14/969534814.db2.gz PCFZSJMZJMMCGF-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001169245644 969535174 /nfs/dbraw/zinc/53/51/74/969535174.db2.gz GZPIRSAACBLKDP-QWHCGFSZSA-N 2 1 244.354 1.266 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001169245644 969535175 /nfs/dbraw/zinc/53/51/75/969535175.db2.gz GZPIRSAACBLKDP-QWHCGFSZSA-N 2 1 244.354 1.266 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1CCC(F)(F)CC1 ZINC001254207486 969539028 /nfs/dbraw/zinc/53/90/28/969539028.db2.gz DCVJHIALPPUEGN-UHFFFAOYSA-N 2 1 206.280 1.891 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCOC(C)(C)C2)CC1 ZINC001169258584 969542570 /nfs/dbraw/zinc/54/25/70/969542570.db2.gz NKTGEWFEQSCBFB-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCOC(C)(C)C2)CC1 ZINC001169258584 969542577 /nfs/dbraw/zinc/54/25/77/969542577.db2.gz NKTGEWFEQSCBFB-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001209727120 969582800 /nfs/dbraw/zinc/58/28/00/969582800.db2.gz JSQKGHZWFYMNGF-GHMZBOCLSA-N 2 1 217.316 1.726 20 0 BDADMP C[N@H+]1C[C@@H]2CCCN(Cc3c[nH+]ccc3N)[C@@H]2C1 ZINC001209729939 969586578 /nfs/dbraw/zinc/58/65/78/969586578.db2.gz BQTNPOTTWQTCBF-SMDDNHRTSA-N 2 1 246.358 1.020 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209730836 969591594 /nfs/dbraw/zinc/59/15/94/969591594.db2.gz KWOWZMWLRMQBOS-NSHDSACASA-N 2 1 249.314 1.022 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209730836 969591596 /nfs/dbraw/zinc/59/15/96/969591596.db2.gz KWOWZMWLRMQBOS-NSHDSACASA-N 2 1 249.314 1.022 20 0 BDADMP CO[C@H]1CC[N@H+](Cc2c[nH+]ccc2N)[C@@H](C)C1 ZINC001209733960 969591704 /nfs/dbraw/zinc/59/17/04/969591704.db2.gz XRYFYPWZMYZCDB-JQWIXIFHSA-N 2 1 235.331 1.493 20 0 BDADMP CO[C@H]1CC[N@@H+](Cc2c[nH+]ccc2N)[C@@H](C)C1 ZINC001209733960 969591707 /nfs/dbraw/zinc/59/17/07/969591707.db2.gz XRYFYPWZMYZCDB-JQWIXIFHSA-N 2 1 235.331 1.493 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001209732753 969592608 /nfs/dbraw/zinc/59/26/08/969592608.db2.gz DEQCYRSGNAAATI-CMPLNLGQSA-N 2 1 245.326 1.295 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001209732753 969592615 /nfs/dbraw/zinc/59/26/15/969592615.db2.gz DEQCYRSGNAAATI-CMPLNLGQSA-N 2 1 245.326 1.295 20 0 BDADMP CC[N@H+]1CCN(Cc2c[nH+]ccc2N)C[C@H]1C ZINC001209732690 969596278 /nfs/dbraw/zinc/59/62/78/969596278.db2.gz BTJSAPRVEKBEKI-LLVKDONJSA-N 2 1 234.347 1.020 20 0 BDADMP C[N@@H+](C1CC1)[C@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209732995 969596608 /nfs/dbraw/zinc/59/66/08/969596608.db2.gz OQJZZVZVJMCVCS-ZDUSSCGKSA-N 2 1 246.358 1.163 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCCCCCC[NH3+])CC1 ZINC001254507057 969655275 /nfs/dbraw/zinc/65/52/75/969655275.db2.gz DYGNHIJBSUIPEL-AWEZNQCLSA-N 3 1 241.423 1.970 20 0 BDADMP CN1CCC[C@H]([NH2+]CCCCCCC[NH3+])CC1 ZINC001254507057 969655281 /nfs/dbraw/zinc/65/52/81/969655281.db2.gz DYGNHIJBSUIPEL-AWEZNQCLSA-N 2 1 241.423 1.970 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2CC3(COC3)C2)CC1 ZINC001254504010 969668042 /nfs/dbraw/zinc/66/80/42/969668042.db2.gz QHJBRRMADUGHRV-LLVKDONJSA-N 2 1 224.348 1.239 20 0 BDADMP CCCC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254505062 969670975 /nfs/dbraw/zinc/67/09/75/969670975.db2.gz YRLGNSHBFQEMPL-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001254506827 969672657 /nfs/dbraw/zinc/67/26/57/969672657.db2.gz AYNHMAFNYIKLOT-OAHLLOKOSA-N 3 1 247.386 1.719 20 0 BDADMP C[N@@H+]1CCC[C@@H](NCc2ccccc2C[NH3+])CC1 ZINC001254506827 969672662 /nfs/dbraw/zinc/67/26/62/969672662.db2.gz AYNHMAFNYIKLOT-OAHLLOKOSA-N 2 1 247.386 1.719 20 0 BDADMP C[N@H+]1CCC[C@@H](NCc2ccccc2C[NH3+])CC1 ZINC001254506827 969672667 /nfs/dbraw/zinc/67/26/67/969672667.db2.gz AYNHMAFNYIKLOT-OAHLLOKOSA-N 2 1 247.386 1.719 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CC1 ZINC001254504848 969675514 /nfs/dbraw/zinc/67/55/14/969675514.db2.gz XTJKKFRZIZEYMB-IJLUTSLNSA-N 2 1 214.328 1.808 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508623 969677720 /nfs/dbraw/zinc/67/77/20/969677720.db2.gz KPLYMHLQZRLPHN-AVGNSLFASA-N 2 1 225.380 1.330 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@]2(C)CCOC2)CC1 ZINC001254512196 969678212 /nfs/dbraw/zinc/67/82/12/969678212.db2.gz KGYLEINKYXRCMR-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254510507 969678404 /nfs/dbraw/zinc/67/84/04/969678404.db2.gz XFAXLIYHACQEJG-GFCCVEGCSA-N 2 1 226.364 1.818 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254510507 969678409 /nfs/dbraw/zinc/67/84/09/969678409.db2.gz XFAXLIYHACQEJG-GFCCVEGCSA-N 2 1 226.364 1.818 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC1 ZINC001254512199 969684001 /nfs/dbraw/zinc/68/40/01/969684001.db2.gz KHYAOSVLFFZLNM-IHRRRGAJSA-N 2 1 240.391 1.611 20 0 BDADMP Cn1cc(C[N@H+](C)[C@@H]2CCC[NH+](C)CC2)cn1 ZINC001254516002 969685354 /nfs/dbraw/zinc/68/53/54/969685354.db2.gz IMACBMORABFCPY-CYBMUJFWSA-N 2 1 236.363 1.336 20 0 BDADMP Cn1cc(C[N@@H+](C)[C@@H]2CCC[NH+](C)CC2)cn1 ZINC001254516002 969685364 /nfs/dbraw/zinc/68/53/64/969685364.db2.gz IMACBMORABFCPY-CYBMUJFWSA-N 2 1 236.363 1.336 20 0 BDADMP Cn1cc(C[NH+](C)[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC001254516002 969685369 /nfs/dbraw/zinc/68/53/69/969685369.db2.gz IMACBMORABFCPY-CYBMUJFWSA-N 2 1 236.363 1.336 20 0 BDADMP Cn1cc(C[NH+](C)[C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254516002 969685372 /nfs/dbraw/zinc/68/53/72/969685372.db2.gz IMACBMORABFCPY-CYBMUJFWSA-N 2 1 236.363 1.336 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](O)CC2)CC1 ZINC001254516462 969689410 /nfs/dbraw/zinc/68/94/10/969689410.db2.gz MPMTZMSEJRHHLA-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001254516462 969689416 /nfs/dbraw/zinc/68/94/16/969689416.db2.gz MPMTZMSEJRHHLA-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001254516462 969689422 /nfs/dbraw/zinc/68/94/22/969689422.db2.gz MPMTZMSEJRHHLA-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517351 969697030 /nfs/dbraw/zinc/69/70/30/969697030.db2.gz URQINRJUQIHFIY-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254517351 969697033 /nfs/dbraw/zinc/69/70/33/969697033.db2.gz URQINRJUQIHFIY-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254517351 969697038 /nfs/dbraw/zinc/69/70/38/969697038.db2.gz URQINRJUQIHFIY-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP CC(=O)[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254526701 969720952 /nfs/dbraw/zinc/72/09/52/969720952.db2.gz TWHGNIAFXWZUAU-ZIAGYGMSSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254526701 969720959 /nfs/dbraw/zinc/72/09/59/969720959.db2.gz TWHGNIAFXWZUAU-ZIAGYGMSSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254526701 969720967 /nfs/dbraw/zinc/72/09/67/969720967.db2.gz TWHGNIAFXWZUAU-ZIAGYGMSSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254526701 969720973 /nfs/dbraw/zinc/72/09/73/969720973.db2.gz TWHGNIAFXWZUAU-ZIAGYGMSSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH+](C)C1(C)CN([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254525415 969723346 /nfs/dbraw/zinc/72/33/46/969723346.db2.gz HZABREIDOADINJ-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001254526364 969723819 /nfs/dbraw/zinc/72/38/19/969723819.db2.gz QZSFNGKUIVBGHZ-XQQFMLRXSA-N 2 1 236.359 1.382 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001254526364 969723826 /nfs/dbraw/zinc/72/38/26/969723826.db2.gz QZSFNGKUIVBGHZ-XQQFMLRXSA-N 2 1 236.359 1.382 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001254526364 969723834 /nfs/dbraw/zinc/72/38/34/969723834.db2.gz QZSFNGKUIVBGHZ-XQQFMLRXSA-N 2 1 236.359 1.382 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001254526364 969723841 /nfs/dbraw/zinc/72/38/41/969723841.db2.gz QZSFNGKUIVBGHZ-XQQFMLRXSA-N 2 1 236.359 1.382 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001254529621 969728260 /nfs/dbraw/zinc/72/82/60/969728260.db2.gz OTSBJTOMEHHNQU-RNJOBUHISA-N 2 1 226.339 1.903 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001254529621 969728267 /nfs/dbraw/zinc/72/82/67/969728267.db2.gz OTSBJTOMEHHNQU-RNJOBUHISA-N 2 1 226.339 1.903 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001254529621 969728278 /nfs/dbraw/zinc/72/82/78/969728278.db2.gz OTSBJTOMEHHNQU-RNJOBUHISA-N 2 1 226.339 1.903 20 0 BDADMP C[N@H+]1CC[C@H](CN[C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254836496 969798263 /nfs/dbraw/zinc/79/82/63/969798263.db2.gz LZWWNUQSCAKIOB-ZIAGYGMSSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC3CCN(CC3)C2)C1 ZINC001254836496 969798268 /nfs/dbraw/zinc/79/82/68/969798268.db2.gz LZWWNUQSCAKIOB-ZIAGYGMSSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CC3CCN(CC3)C2)C1 ZINC001254836496 969798271 /nfs/dbraw/zinc/79/82/71/969798271.db2.gz LZWWNUQSCAKIOB-ZIAGYGMSSA-N 2 1 237.391 1.012 20 0 BDADMP COc1cc2[nH+]ccn2cc1-n1ccc(C[NH3+])c1 ZINC001169726141 969819970 /nfs/dbraw/zinc/81/99/70/969819970.db2.gz SUOCRVAPLNVMTK-UHFFFAOYSA-N 2 1 242.282 1.592 20 0 BDADMP c1ccc([C@H]2CNCC[N@@H+]2CCC2C[NH2+]C2)cc1 ZINC001210197128 969829149 /nfs/dbraw/zinc/82/91/49/969829149.db2.gz VYXZANXHPOZFEZ-OAHLLOKOSA-N 2 1 245.370 1.242 20 0 BDADMP c1ccc([C@H]2C[NH2+]CCN2CCC2C[NH2+]C2)cc1 ZINC001210197128 969829153 /nfs/dbraw/zinc/82/91/53/969829153.db2.gz VYXZANXHPOZFEZ-OAHLLOKOSA-N 2 1 245.370 1.242 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001210496540 969906294 /nfs/dbraw/zinc/90/62/94/969906294.db2.gz HYCZDEDWNKGORJ-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001210496540 969906308 /nfs/dbraw/zinc/90/63/08/969906308.db2.gz HYCZDEDWNKGORJ-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[NH+](C)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255279226 970029055 /nfs/dbraw/zinc/02/90/55/970029055.db2.gz HSSIVCOCYXIESL-LLVKDONJSA-N 2 1 214.378 1.518 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+]([C@@H]1CCSC1)CC2 ZINC001255291424 970056222 /nfs/dbraw/zinc/05/62/22/970056222.db2.gz WIIUVEGRWRELCV-SNVBAGLBSA-N 2 1 223.345 1.247 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+]([C@@H]1CCSC1)CC2 ZINC001255291424 970056233 /nfs/dbraw/zinc/05/62/33/970056233.db2.gz WIIUVEGRWRELCV-SNVBAGLBSA-N 2 1 223.345 1.247 20 0 BDADMP C[N@H+]1CC[C@@H](n2c(C[NH3+])cc3ccccc32)C1 ZINC001255411038 970131510 /nfs/dbraw/zinc/13/15/10/970131510.db2.gz CBUWGAIMRCDNKZ-GFCCVEGCSA-N 2 1 229.327 1.977 20 0 BDADMP CN1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255412728 970132122 /nfs/dbraw/zinc/13/21/22/970132122.db2.gz UWOYQEBTQXKMEQ-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)CCC(C)(C)N[C@@H]1CC[N@@H+](C)C1 ZINC001255419216 970138693 /nfs/dbraw/zinc/13/86/93/970138693.db2.gz ZWROSTLBYZLBOF-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP CN1CC[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)C1 ZINC001255419216 970138698 /nfs/dbraw/zinc/13/86/98/970138698.db2.gz ZWROSTLBYZLBOF-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H](C)CCCC(C)C ZINC001170067774 970139640 /nfs/dbraw/zinc/13/96/40/970139640.db2.gz COSXBZYRNVQJTO-RYUDHWBXSA-N 2 1 244.379 1.539 20 0 BDADMP C[N@H+]1CC[C@@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001255419453 970141386 /nfs/dbraw/zinc/14/13/86/970141386.db2.gz CGUBZZCDTUGBBI-GFCCVEGCSA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@H](N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001255422062 970148201 /nfs/dbraw/zinc/14/82/01/970148201.db2.gz NBFPNWHQLPXNHV-ZDUSSCGKSA-N 2 1 237.322 1.295 20 0 BDADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3CC[N@@H+](C)C3)c21 ZINC001255444528 970181358 /nfs/dbraw/zinc/18/13/58/970181358.db2.gz MUYNXENSNLSPDS-AAEUAGOBSA-N 2 1 248.374 1.603 20 0 BDADMP C[C@@H]([NH3+])c1nccn1[C@@H]1CCC[N@@H+](C)C1 ZINC001255466197 970193177 /nfs/dbraw/zinc/19/31/77/970193177.db2.gz IYDRKRMTTOCQGP-NXEZZACHSA-N 2 1 208.309 1.170 20 0 BDADMP Cc1ccc(C[NH3+])nc1N(C)[C@H]1CCC[N@@H+](C)C1 ZINC001255466663 970196345 /nfs/dbraw/zinc/19/63/45/970196345.db2.gz XSZPEUWAJZBWJS-ZDUSSCGKSA-N 2 1 248.374 1.379 20 0 BDADMP CN1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255469890 970196908 /nfs/dbraw/zinc/19/69/08/970196908.db2.gz GITYFWLHGHXPEM-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001255487774 970234285 /nfs/dbraw/zinc/23/42/85/970234285.db2.gz VGWBOWCAWIGTJN-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP CC(C)[N@H+]1CCN([C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC001255493631 970250784 /nfs/dbraw/zinc/25/07/84/970250784.db2.gz DWPLXUYCEFVHDN-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC001255493631 970250795 /nfs/dbraw/zinc/25/07/95/970250795.db2.gz DWPLXUYCEFVHDN-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC001255493631 970250797 /nfs/dbraw/zinc/25/07/97/970250797.db2.gz DWPLXUYCEFVHDN-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+]1CC2(C1)CCN([C@H]1CCC[N@@H+](C)C1)CC2 ZINC001255492921 970255637 /nfs/dbraw/zinc/25/56/37/970255637.db2.gz NXHKGQWIIBMOAK-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@@H+](C1CC1)[C@@H]1CCN([C@@H]2CCC[NH+](C)C2)C1 ZINC001255492887 970256032 /nfs/dbraw/zinc/25/60/32/970256032.db2.gz NDOWYYFYJBIYGB-ZIAGYGMSSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)[C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC001255492887 970256045 /nfs/dbraw/zinc/25/60/45/970256045.db2.gz NDOWYYFYJBIYGB-ZIAGYGMSSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255492887 970256051 /nfs/dbraw/zinc/25/60/51/970256051.db2.gz NDOWYYFYJBIYGB-ZIAGYGMSSA-N 2 1 237.391 1.249 20 0 BDADMP CC1(C)C[C@@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001255535196 970302172 /nfs/dbraw/zinc/30/21/72/970302172.db2.gz MEXVQCQBQVQXKQ-NSHDSACASA-N 2 1 237.347 1.905 20 0 BDADMP CCC[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255667473 970447394 /nfs/dbraw/zinc/44/73/94/970447394.db2.gz JHNXWNWGXOERPY-RLAWYHOSSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255667473 970447397 /nfs/dbraw/zinc/44/73/97/970447397.db2.gz JHNXWNWGXOERPY-RLAWYHOSSA-N 2 1 240.391 1.752 20 0 BDADMP CCC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)COC1 ZINC001255667762 970448891 /nfs/dbraw/zinc/44/88/91/970448891.db2.gz QVNDUHKMWPJDRG-YHWZYXNKSA-N 2 1 238.375 1.770 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400134198 970559847 /nfs/dbraw/zinc/55/98/47/970559847.db2.gz WNNQSYDYQQUPCO-TUUUFIMRSA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400134198 970559860 /nfs/dbraw/zinc/55/98/60/970559860.db2.gz WNNQSYDYQQUPCO-TUUUFIMRSA-N 2 1 208.349 1.846 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)CN(C)C ZINC001255943418 970566948 /nfs/dbraw/zinc/56/69/48/970566948.db2.gz MIHQVUAJECTXBN-STQMWFEESA-N 2 1 229.412 1.647 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000400472297 970591657 /nfs/dbraw/zinc/59/16/57/970591657.db2.gz YKQZVKHKWNJBMA-LBPRGKRZSA-N 3 1 239.407 1.448 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@](C)(CO)C1 ZINC001255956510 970597523 /nfs/dbraw/zinc/59/75/23/970597523.db2.gz KUSNERYUAWSEKL-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001170235551 970607917 /nfs/dbraw/zinc/60/79/17/970607917.db2.gz NJUTXBISNLIOET-QWHCGFSZSA-N 2 1 249.358 1.699 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001170235551 970607933 /nfs/dbraw/zinc/60/79/33/970607933.db2.gz NJUTXBISNLIOET-QWHCGFSZSA-N 2 1 249.358 1.699 20 0 BDADMP CCC[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256067961 970637618 /nfs/dbraw/zinc/63/76/18/970637618.db2.gz PUBLYOFDVLARTG-GFCCVEGCSA-N 2 1 226.364 1.364 20 0 BDADMP COC[C@@H]1CC[N@H+](C2CCN(C3CC3)CC2)C1 ZINC001256075430 970640305 /nfs/dbraw/zinc/64/03/05/970640305.db2.gz KJFHFRVPVYVNKZ-GFCCVEGCSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC(CNc2cc(OC(F)F)cc[nH+]2)C1 ZINC001170259214 970648907 /nfs/dbraw/zinc/64/89/07/970648907.db2.gz PYKCUQLKLFSAGN-UHFFFAOYSA-N 2 1 243.257 1.657 20 0 BDADMP Cc1cc2c[nH+]c(NCC3C[NH+](C)C3)nc2[nH]1 ZINC001170249546 970655879 /nfs/dbraw/zinc/65/58/79/970655879.db2.gz KUCALAOSWBYANU-UHFFFAOYSA-N 2 1 231.303 1.191 20 0 BDADMP C[NH+]1CCC(N[C@]2(C)CCC[N@H+](C)C2)CC1 ZINC001256202116 970695211 /nfs/dbraw/zinc/69/52/11/970695211.db2.gz YFGRVVXBEDEBLF-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP C[NH+]1CCC(N[C@]2(C)CCC[N@@H+](C)C2)CC1 ZINC001256202116 970695216 /nfs/dbraw/zinc/69/52/16/970695216.db2.gz YFGRVVXBEDEBLF-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP C[NH+]1CCC([NH2+][C@@]2(C)CC[C@H](O)CC2)CC1 ZINC001256201368 970695649 /nfs/dbraw/zinc/69/56/49/970695649.db2.gz HSIBETJVVPPHHN-JOCQHMNTSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C1CC[NH+](C)CC1 ZINC001256203583 970706400 /nfs/dbraw/zinc/70/64/00/970706400.db2.gz JRCMQHPZWWXGNY-NWDGAFQWSA-N 2 1 225.380 1.105 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001256203316 970706221 /nfs/dbraw/zinc/70/62/21/970706221.db2.gz VLCMVDRDLWERMT-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC([N@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001256203316 970706228 /nfs/dbraw/zinc/70/62/28/970706228.db2.gz VLCMVDRDLWERMT-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000401858528 970740090 /nfs/dbraw/zinc/74/00/90/970740090.db2.gz HFXCGTZALAWLJT-UTUOFQBUSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246539807 972549801 /nfs/dbraw/zinc/54/98/01/972549801.db2.gz ITGLCBLLQXTJBN-MEBFFEOJSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246539807 972549811 /nfs/dbraw/zinc/54/98/11/972549811.db2.gz ITGLCBLLQXTJBN-MEBFFEOJSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246541736 972562323 /nfs/dbraw/zinc/56/23/23/972562323.db2.gz NENIYJAEVCLMOR-OUCADQQQSA-N 2 1 233.359 1.539 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246543074 972592988 /nfs/dbraw/zinc/59/29/88/972592988.db2.gz SHACYYPRQUSZIO-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246544678 972608120 /nfs/dbraw/zinc/60/81/20/972608120.db2.gz YBFIBKKXXOYUNK-FIQHERPVSA-N 2 1 226.364 1.469 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246549769 972701142 /nfs/dbraw/zinc/70/11/42/972701142.db2.gz HXNSXYFNDIQTJS-DBIOUOCHSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246549769 972701154 /nfs/dbraw/zinc/70/11/54/972701154.db2.gz HXNSXYFNDIQTJS-DBIOUOCHSA-N 2 1 200.301 1.559 20 0 BDADMP [NH3+][C@H](c1noc([C@@H]2C[C@@H]([NH3+])C2)n1)c1ccccc1 ZINC001327629948 972675594 /nfs/dbraw/zinc/67/55/94/972675594.db2.gz UHMDTUWQWIZUGZ-DCAQKATOSA-N 2 1 244.298 1.322 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246548098 972681834 /nfs/dbraw/zinc/68/18/34/972681834.db2.gz QPGUQTIHCMLDCA-LBPRGKRZSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246549772 972703558 /nfs/dbraw/zinc/70/35/58/972703558.db2.gz HXNSXYFNDIQTJS-LNFKQOIKSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246549772 972703566 /nfs/dbraw/zinc/70/35/66/972703566.db2.gz HXNSXYFNDIQTJS-LNFKQOIKSA-N 2 1 200.301 1.559 20 0 BDADMP CN1CCC[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246553498 972751313 /nfs/dbraw/zinc/75/13/13/972751313.db2.gz YPFYJCYWAIVVFF-OLZOCXBDSA-N 2 1 243.370 1.234 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC001327839926 972755442 /nfs/dbraw/zinc/75/54/42/972755442.db2.gz ORWLWUBCOUZRLI-MCIONIFRSA-N 3 1 241.423 1.885 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC001327839928 972756080 /nfs/dbraw/zinc/75/60/80/972756080.db2.gz ORWLWUBCOUZRLI-MGPQQGTHSA-N 3 1 241.423 1.885 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC001246556062 972758777 /nfs/dbraw/zinc/75/87/77/972758777.db2.gz AGGQHESNGSTINA-WCQYABFASA-N 2 1 246.354 1.891 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC001246556062 972758787 /nfs/dbraw/zinc/75/87/87/972758787.db2.gz AGGQHESNGSTINA-WCQYABFASA-N 2 1 246.354 1.891 20 0 BDADMP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001246556722 972759592 /nfs/dbraw/zinc/75/95/92/972759592.db2.gz JPHHOEJQOKTDJR-RBSFLKMASA-N 2 1 248.370 1.402 20 0 BDADMP CCC[C@H](Cc1ccccc1)N1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246556722 972759603 /nfs/dbraw/zinc/75/96/03/972759603.db2.gz JPHHOEJQOKTDJR-RBSFLKMASA-N 2 1 248.370 1.402 20 0 BDADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCSC2)CCC1(F)F ZINC001246559957 972785657 /nfs/dbraw/zinc/78/56/57/972785657.db2.gz OIKCSATXQAZZKT-IUCAKERBSA-N 2 1 236.331 1.408 20 0 BDADMP C[C@H]1C[C@@H](CF)[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246580862 972933323 /nfs/dbraw/zinc/93/33/23/972933323.db2.gz NYLGPPXPBUDYKP-USZNOCQGSA-N 2 1 214.328 1.807 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246581346 972944702 /nfs/dbraw/zinc/94/47/02/972944702.db2.gz JEBXRSMYDNDRSW-RLAWYHOSSA-N 2 1 236.359 1.533 20 0 BDADMP CC1(C[NH3+])CN(C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246595463 973006664 /nfs/dbraw/zinc/00/66/64/973006664.db2.gz HRWOHJHCRXTUJF-UHFFFAOYSA-N 2 1 237.391 1.189 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246604640 973028148 /nfs/dbraw/zinc/02/81/48/973028148.db2.gz HYAOMXZWLVQXPQ-KBPBESRZSA-N 3 1 239.407 1.593 20 0 BDADMP C[NH2+]CC[C@H](C)N1CCC[C@]12CCC[NH2+]CC2 ZINC001246604640 973028162 /nfs/dbraw/zinc/02/81/62/973028162.db2.gz HYAOMXZWLVQXPQ-KBPBESRZSA-N 2 1 239.407 1.593 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246636129 973050411 /nfs/dbraw/zinc/05/04/11/973050411.db2.gz TXSNCEUPALNLGU-ZUWCUPBKSA-N 2 1 235.375 1.048 20 0 BDADMP FC1(F)C[C@]12CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246810500 973108336 /nfs/dbraw/zinc/10/83/36/973108336.db2.gz XAJLXPWBBSRUEC-JTQLQIEISA-N 2 1 216.275 1.470 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1CCc3ncsc3C1)C2 ZINC001246851271 973152169 /nfs/dbraw/zinc/15/21/69/973152169.db2.gz FBWJRAYDEHXMSH-KWBADKCTSA-N 2 1 249.383 1.424 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861913 973177210 /nfs/dbraw/zinc/17/72/10/973177210.db2.gz RJOLEMPSAYYRBA-DMRUHBNHSA-N 2 1 224.348 1.081 20 0 BDADMP CCOC1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246860588 973180854 /nfs/dbraw/zinc/18/08/54/973180854.db2.gz NHAGWQIEPHKEEN-GFJIZPEISA-N 2 1 238.375 1.757 20 0 BDADMP CCCCC[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146710292 973218139 /nfs/dbraw/zinc/21/81/39/973218139.db2.gz JXAZBKIWDLPQGY-UHFFFAOYSA-N 2 1 243.395 1.224 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1scnc1C ZINC001328677407 973257226 /nfs/dbraw/zinc/25/72/26/973257226.db2.gz MXQZRVGZEZDUHT-QMMMGPOBSA-N 2 1 213.350 1.539 20 0 BDADMP C1CC2(C1)CCC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246937795 973617730 /nfs/dbraw/zinc/61/77/30/973617730.db2.gz CMDAQYSTKRKCFG-ZDUSSCGKSA-N 2 1 249.402 1.347 20 0 BDADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246981809 973747959 /nfs/dbraw/zinc/74/79/59/973747959.db2.gz SCOGNXVJJKQFLV-SDDRHHMPSA-N 2 1 216.369 1.859 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246981827 973751757 /nfs/dbraw/zinc/75/17/57/973751757.db2.gz SCOGNXVJJKQFLV-TUAOUCFPSA-N 2 1 216.369 1.859 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]([NH3+])C3(COC3)C2)C[C@@H]1C ZINC001246986436 973770375 /nfs/dbraw/zinc/77/03/75/973770375.db2.gz DEEARRPLGVIDMF-VOAKCMCISA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]([NH3+])C3(COC3)C2)C[C@@H]1C ZINC001246986436 973770390 /nfs/dbraw/zinc/77/03/90/973770390.db2.gz DEEARRPLGVIDMF-VOAKCMCISA-N 2 1 238.375 1.471 20 0 BDADMP C1=C2NCC[N@H+]([C@@H]3CCC4(C[NH2+]C4)C3)[C@H]2CCC1 ZINC001246991465 973782230 /nfs/dbraw/zinc/78/22/30/973782230.db2.gz BAVRKVQZCGBKNJ-OCCSQVGLSA-N 2 1 247.386 1.470 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CO[C@H]1CCC[NH+](C)CC1 ZINC001224703172 973869339 /nfs/dbraw/zinc/86/93/39/973869339.db2.gz QUKZZFPQOUQZTK-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCCC[C@@H]1CO[C@H]1CCC[N@H+](C)CC1 ZINC001224703172 973869343 /nfs/dbraw/zinc/86/93/43/973869343.db2.gz QUKZZFPQOUQZTK-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCCC[C@@H]1CO[C@H]1CCC[N@@H+](C)CC1 ZINC001224703172 973869345 /nfs/dbraw/zinc/86/93/45/973869345.db2.gz QUKZZFPQOUQZTK-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224743492 973903760 /nfs/dbraw/zinc/90/37/60/973903760.db2.gz ATOISIAUNKOSOZ-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP CC[NH+]1CC(OCCC[NH+]2CCCC2)C1 ZINC001224749037 973917314 /nfs/dbraw/zinc/91/73/14/973917314.db2.gz XFUBEXHTFKLXRK-UHFFFAOYSA-N 2 1 212.337 1.193 20 0 BDADMP C([N@@H+]1CC[C@H]2OCCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC001329802114 973942648 /nfs/dbraw/zinc/94/26/48/973942648.db2.gz ZLOWYODZNRWWOL-CEUNDQEZSA-N 2 1 236.359 1.239 20 0 BDADMP C([N@H+]1CC[C@H]2OCCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC001329802114 973942660 /nfs/dbraw/zinc/94/26/60/973942660.db2.gz ZLOWYODZNRWWOL-CEUNDQEZSA-N 2 1 236.359 1.239 20 0 BDADMP C([N@@H+]1CC[C@@H]2OCCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC001329802121 973943890 /nfs/dbraw/zinc/94/38/90/973943890.db2.gz ZLOWYODZNRWWOL-QPPOZKHWSA-N 2 1 236.359 1.239 20 0 BDADMP C([N@H+]1CC[C@@H]2OCCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC001329802121 973943903 /nfs/dbraw/zinc/94/39/03/973943903.db2.gz ZLOWYODZNRWWOL-QPPOZKHWSA-N 2 1 236.359 1.239 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCN(CC)C(=O)C1 ZINC001172023689 974279016 /nfs/dbraw/zinc/27/90/16/974279016.db2.gz PSFZFQBTUBNPAB-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP N[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1F ZINC001206156937 974333728 /nfs/dbraw/zinc/33/37/28/974333728.db2.gz UOEICFQMQFIJQR-GRYCIOLGSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1F ZINC001206156937 974333749 /nfs/dbraw/zinc/33/37/49/974333749.db2.gz UOEICFQMQFIJQR-GRYCIOLGSA-N 2 1 230.327 1.317 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001172101216 974336346 /nfs/dbraw/zinc/33/63/46/974336346.db2.gz XMOGIGHTEZJDMC-HPCHECBXSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001172101216 974336359 /nfs/dbraw/zinc/33/63/59/974336359.db2.gz XMOGIGHTEZJDMC-HPCHECBXSA-N 2 1 238.375 1.505 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099822 974343441 /nfs/dbraw/zinc/34/34/41/974343441.db2.gz KRTDONHLIZEQJW-XYYAHUGASA-N 2 1 248.374 1.525 20 0 BDADMP CC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100068 974344430 /nfs/dbraw/zinc/34/44/30/974344430.db2.gz MJGGDWDNFPIDTL-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100068 974344432 /nfs/dbraw/zinc/34/44/32/974344432.db2.gz MJGGDWDNFPIDTL-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP COC1(C[N@@H+](C)CC2CC[NH+](C)CC2)CCC1 ZINC001330601208 974348324 /nfs/dbraw/zinc/34/83/24/974348324.db2.gz UTWSMZUXMIMNSW-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1COC1)C2 ZINC001172106016 974365196 /nfs/dbraw/zinc/36/51/96/974365196.db2.gz MHLYJLVTJFMCBD-ZSOGYDGISA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103666 974370218 /nfs/dbraw/zinc/37/02/18/974370218.db2.gz WKQZYDKUPPMYIT-SYQHCUMBSA-N 2 1 239.407 1.541 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001172111156 974372104 /nfs/dbraw/zinc/37/21/04/974372104.db2.gz SQTVJDHMGJWESQ-QYVRYILPSA-N 2 1 236.359 1.236 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001172111156 974372110 /nfs/dbraw/zinc/37/21/10/974372110.db2.gz SQTVJDHMGJWESQ-QYVRYILPSA-N 2 1 236.359 1.236 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cnoc1)C2 ZINC001172112553 974372454 /nfs/dbraw/zinc/37/24/54/974372454.db2.gz XNYHFUGWZSOLTE-BTTYYORXSA-N 2 1 249.358 1.822 20 0 BDADMP CN1CC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172110299 974374130 /nfs/dbraw/zinc/37/41/30/974374130.db2.gz MKDLWTCTVCXASM-BTTYYORXSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)O ZINC001172110311 974375865 /nfs/dbraw/zinc/37/58/65/974375865.db2.gz LGBKPQOJPODDRD-FVCCEPFGSA-N 2 1 240.391 1.751 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)O ZINC001172110311 974375877 /nfs/dbraw/zinc/37/58/77/974375877.db2.gz LGBKPQOJPODDRD-FVCCEPFGSA-N 2 1 240.391 1.751 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113028 974381631 /nfs/dbraw/zinc/38/16/31/974381631.db2.gz DYTNPJGCWHQILX-ZDEQEGDKSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H](C[NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119216 974382658 /nfs/dbraw/zinc/38/26/58/974382658.db2.gz WDSUHVXXQMHMSL-MQYQWHSLSA-N 2 1 239.407 1.528 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226730 974465486 /nfs/dbraw/zinc/46/54/86/974465486.db2.gz HURXSBBNXCCAFM-AGUYFDCRSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1C[C@@H]3C=C[C@H](C1)O3)C2 ZINC001172244165 974509066 /nfs/dbraw/zinc/50/90/66/974509066.db2.gz JUGHAZRQZOJMSG-VAQLIOGMSA-N 2 1 248.370 1.356 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172321525 974531301 /nfs/dbraw/zinc/53/13/01/974531301.db2.gz LDDFCIZUYYCGDD-MNOVXSKESA-N 2 1 216.369 1.907 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1(C2CC2)CCOCC1 ZINC001331110353 974606511 /nfs/dbraw/zinc/60/65/11/974606511.db2.gz PFVBELBUFCSSOT-UHFFFAOYSA-N 2 1 249.358 1.511 20 0 BDADMP CCOCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172409622 974671722 /nfs/dbraw/zinc/67/17/22/974671722.db2.gz XWMGVRGVPDSLDH-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CCC[C@H]2CN)C1 ZINC001172592681 974879471 /nfs/dbraw/zinc/87/94/71/974879471.db2.gz JSXZIHJWAMCNJO-TUAOUCFPSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2CCC[C@H]2CN)C1 ZINC001172592681 974879474 /nfs/dbraw/zinc/87/94/74/974879474.db2.gz JSXZIHJWAMCNJO-TUAOUCFPSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])C1 ZINC001172592681 974879477 /nfs/dbraw/zinc/87/94/77/974879477.db2.gz JSXZIHJWAMCNJO-TUAOUCFPSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2CCC[C@H]2C[NH3+])C1 ZINC001172592681 974879481 /nfs/dbraw/zinc/87/94/81/974879481.db2.gz JSXZIHJWAMCNJO-TUAOUCFPSA-N 2 1 240.347 1.141 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206166655 974882647 /nfs/dbraw/zinc/88/26/47/974882647.db2.gz TXWBYPRNXABNAR-UWVGGRQHSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206166655 974882649 /nfs/dbraw/zinc/88/26/49/974882649.db2.gz TXWBYPRNXABNAR-UWVGGRQHSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206167039 974884164 /nfs/dbraw/zinc/88/41/64/974884164.db2.gz WGPQJIXMRGWHRQ-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206167039 974884166 /nfs/dbraw/zinc/88/41/66/974884166.db2.gz WGPQJIXMRGWHRQ-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1F ZINC001206167428 974888298 /nfs/dbraw/zinc/88/82/98/974888298.db2.gz YRSQEHKDABKONA-MNOVXSKESA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1F ZINC001206167428 974888301 /nfs/dbraw/zinc/88/83/01/974888301.db2.gz YRSQEHKDABKONA-MNOVXSKESA-N 2 1 239.294 1.048 20 0 BDADMP CO[C@@H]1CCC[C@H](n2c(C)c[nH+]c2CC[NH3+])C1 ZINC001172915050 974963293 /nfs/dbraw/zinc/96/32/93/974963293.db2.gz BHBHJMBYBUUXOP-NWDGAFQWSA-N 2 1 237.347 1.823 20 0 BDADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](N)C2)CC1 ZINC001173101488 975022041 /nfs/dbraw/zinc/02/20/41/975022041.db2.gz ISYZPVZZSRLGIW-HSBZDZAISA-N 2 1 239.407 1.672 20 0 BDADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](N)C2)CC1 ZINC001173101488 975022053 /nfs/dbraw/zinc/02/20/53/975022053.db2.gz ISYZPVZZSRLGIW-HSBZDZAISA-N 2 1 239.407 1.672 20 0 BDADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001173101488 975022059 /nfs/dbraw/zinc/02/20/59/975022059.db2.gz ISYZPVZZSRLGIW-HSBZDZAISA-N 3 1 239.407 1.672 20 0 BDADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001173101488 975022066 /nfs/dbraw/zinc/02/20/66/975022066.db2.gz ISYZPVZZSRLGIW-HSBZDZAISA-N 3 1 239.407 1.672 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ncsc2C1 ZINC001173124567 975035786 /nfs/dbraw/zinc/03/57/86/975035786.db2.gz RAAVGDSCEKNUSP-UWVGGRQHSA-N 2 1 237.372 1.424 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1CCc2ncsc2C1 ZINC001173124567 975035791 /nfs/dbraw/zinc/03/57/91/975035791.db2.gz RAAVGDSCEKNUSP-UWVGGRQHSA-N 2 1 237.372 1.424 20 0 BDADMP CC(C)([NH3+])Cc1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001332321168 975055848 /nfs/dbraw/zinc/05/58/48/975055848.db2.gz YRNBWFBRJVTWLH-LLVKDONJSA-N 2 1 246.314 1.398 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)CC[NH2+]C1 ZINC001332338374 975061294 /nfs/dbraw/zinc/06/12/94/975061294.db2.gz CURGSCINSVJWIA-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171493 975066548 /nfs/dbraw/zinc/06/65/48/975066548.db2.gz XMGKHLIQBKAUEV-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171493 975066552 /nfs/dbraw/zinc/06/65/52/975066552.db2.gz XMGKHLIQBKAUEV-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001173264391 975123358 /nfs/dbraw/zinc/12/33/58/975123358.db2.gz SEGUEISRFOPIRV-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP CCSC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001173297106 975183865 /nfs/dbraw/zinc/18/38/65/975183865.db2.gz BXPSUYSYTZVNFZ-NSHDSACASA-N 2 1 234.409 1.032 20 0 BDADMP CC[N@H+]1CC[C@@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001173352510 975299521 /nfs/dbraw/zinc/29/95/21/975299521.db2.gz OKAUWNCFVFDJOT-LLVKDONJSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](n2c(C[NH3+])nc3cnccc32)C1 ZINC001173356867 975314961 /nfs/dbraw/zinc/31/49/61/975314961.db2.gz GYHTWDSESQQQMA-JTQLQIEISA-N 2 1 245.330 1.157 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001173370270 975356261 /nfs/dbraw/zinc/35/62/61/975356261.db2.gz GIJJTKQLFZRANN-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC001173370270 975356270 /nfs/dbraw/zinc/35/62/70/975356270.db2.gz GIJJTKQLFZRANN-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC001173370270 975356280 /nfs/dbraw/zinc/35/62/80/975356280.db2.gz GIJJTKQLFZRANN-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CCCC[C@H]2[NH+](C)C)[nH+]1 ZINC001334154064 976334734 /nfs/dbraw/zinc/33/47/34/976334734.db2.gz GCIBTVOEXMUQFS-WDEREUQCSA-N 2 1 249.362 1.652 20 0 BDADMP Cc1[nH+]c(C)n(C[C@@H](O)C[N@H+](C)C(C)C)c1C ZINC001334890577 976777841 /nfs/dbraw/zinc/77/78/41/976777841.db2.gz BWZTULYUGRWAOI-ZDUSSCGKSA-N 2 1 239.363 1.509 20 0 BDADMP Nc1cc(NCC2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC001336608574 977810687 /nfs/dbraw/zinc/81/06/87/977810687.db2.gz GJENROSWESIFQS-UHFFFAOYSA-N 2 1 247.346 1.345 20 0 BDADMP COc1[nH+]ccc(N)c1Nc1cc(C)[nH+]c(C)c1 ZINC001176054171 977904833 /nfs/dbraw/zinc/90/48/33/977904833.db2.gz ABACDPBKYNCRMH-UHFFFAOYSA-N 2 1 244.298 1.850 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnsc3)C[C@@H]2C1 ZINC001232223811 977946086 /nfs/dbraw/zinc/94/60/86/977946086.db2.gz ACXGKQCCTAFVRZ-NEPJUHHUSA-N 2 1 237.372 1.527 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnsc3)C[C@@H]2C1 ZINC001232223811 977946097 /nfs/dbraw/zinc/94/60/97/977946097.db2.gz ACXGKQCCTAFVRZ-NEPJUHHUSA-N 2 1 237.372 1.527 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)[nH+]1 ZINC001336870253 978012559 /nfs/dbraw/zinc/01/25/59/978012559.db2.gz FLBKLBGDURLLGI-HBNTYKKESA-N 2 1 247.346 1.119 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3)CC[C@@H]21 ZINC001336934053 978070555 /nfs/dbraw/zinc/07/05/55/978070555.db2.gz RGYHMPQPIGNKKY-YPMHNXCESA-N 2 1 217.316 1.612 20 0 BDADMP CC[N@H+]1CCC[C@H](OCC[NH+](C)C)C1 ZINC001206278737 978147529 /nfs/dbraw/zinc/14/75/29/978147529.db2.gz RYYDVBVKUUUBPP-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001206292432 978283324 /nfs/dbraw/zinc/28/33/24/978283324.db2.gz ALULPKQHVUDIQN-QWHCGFSZSA-N 2 1 226.364 1.474 20 0 BDADMP CCC1(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)COC1 ZINC001206292627 978287995 /nfs/dbraw/zinc/28/79/95/978287995.db2.gz CYPMDZLCNTXKMD-ZDUSSCGKSA-N 2 1 240.391 1.864 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305409 978387813 /nfs/dbraw/zinc/38/78/13/978387813.db2.gz YNCIOUWWCGVFFZ-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)c1cc[nH+]cc1 ZINC001337707794 978468730 /nfs/dbraw/zinc/46/87/30/978468730.db2.gz RMZQGGOCAVSSNI-GFCCVEGCSA-N 2 1 205.305 1.612 20 0 BDADMP Cc1ncc(C[NH+]2CC3(C2)CC[NH+](C)CC3)o1 ZINC001233367860 978571464 /nfs/dbraw/zinc/57/14/64/978571464.db2.gz JYSYTITYFSEHLP-UHFFFAOYSA-N 2 1 235.331 1.511 20 0 BDADMP CC(C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277798738 978666062 /nfs/dbraw/zinc/66/60/62/978666062.db2.gz ABDGLYUCJIJHOP-BETUJISGSA-N 2 1 225.380 1.105 20 0 BDADMP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001179310595 978692210 /nfs/dbraw/zinc/69/22/10/978692210.db2.gz ZABGFIPLWDSXDL-GFCCVEGCSA-N 2 1 244.298 1.367 20 0 BDADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001179310595 978692216 /nfs/dbraw/zinc/69/22/16/978692216.db2.gz ZABGFIPLWDSXDL-GFCCVEGCSA-N 2 1 244.298 1.367 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001338491141 978696367 /nfs/dbraw/zinc/69/63/67/978696367.db2.gz FHTXRBVIIAXTDS-DGCLKSJQSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001179816640 978760844 /nfs/dbraw/zinc/76/08/44/978760844.db2.gz MNGPELRFFQKYIM-VHDGCEQUSA-N 2 1 245.370 1.820 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001179816637 978760866 /nfs/dbraw/zinc/76/08/66/978760866.db2.gz MNGPELRFFQKYIM-NWANDNLSSA-N 2 1 245.370 1.820 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c(C)[nH+]1 ZINC001234655622 978890026 /nfs/dbraw/zinc/89/00/26/978890026.db2.gz SYUKEIXVJDXCHC-CYBMUJFWSA-N 2 1 248.374 1.695 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)c(C)[nH+]1 ZINC001234655622 978890028 /nfs/dbraw/zinc/89/00/28/978890028.db2.gz SYUKEIXVJDXCHC-CYBMUJFWSA-N 2 1 248.374 1.695 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c(C)[nH+]1 ZINC001234653739 978890752 /nfs/dbraw/zinc/89/07/52/978890752.db2.gz BWQYDLIKHTWAPL-TZMCWYRMSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c(C)[nH+]1 ZINC001234653739 978890753 /nfs/dbraw/zinc/89/07/53/978890753.db2.gz BWQYDLIKHTWAPL-TZMCWYRMSA-N 2 1 248.374 1.553 20 0 BDADMP c1cc(C[NH2+]CCC[NH+]2CCC2)n(C2CCC2)n1 ZINC001339871671 978931767 /nfs/dbraw/zinc/93/17/67/978931767.db2.gz QKCQOHLWNBVJSX-UHFFFAOYSA-N 2 1 248.374 1.794 20 0 BDADMP CC(C)CCCN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234978595 978938215 /nfs/dbraw/zinc/93/82/15/978938215.db2.gz AXBIIGSHFZENKT-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP COC1CCC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235037977 978958678 /nfs/dbraw/zinc/95/86/78/978958678.db2.gz KMLXRRDVKGQLOR-CLRIEMFWSA-N 2 1 238.375 1.628 20 0 BDADMP COC1CCC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235037977 978958682 /nfs/dbraw/zinc/95/86/82/978958682.db2.gz KMLXRRDVKGQLOR-CLRIEMFWSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235050012 978962121 /nfs/dbraw/zinc/96/21/21/978962121.db2.gz BFHCUZAOWJMOHH-OAHLLOKOSA-N 2 1 245.370 1.132 20 0 BDADMP Cc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235050012 978962125 /nfs/dbraw/zinc/96/21/25/978962125.db2.gz BFHCUZAOWJMOHH-OAHLLOKOSA-N 2 1 245.370 1.132 20 0 BDADMP COC1CCC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235072677 978970286 /nfs/dbraw/zinc/97/02/86/978970286.db2.gz KMLXRRDVKGQLOR-NWINJMCUSA-N 2 1 238.375 1.628 20 0 BDADMP COC1CCC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235072677 978970293 /nfs/dbraw/zinc/97/02/93/978970293.db2.gz KMLXRRDVKGQLOR-NWINJMCUSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C[N@H+]2CCC[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001235112216 978977028 /nfs/dbraw/zinc/97/70/28/978977028.db2.gz YXJCUSGQZCRYBF-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP CC1(CN2CCC[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001235112216 978977033 /nfs/dbraw/zinc/97/70/33/978977033.db2.gz YXJCUSGQZCRYBF-AWEZNQCLSA-N 2 1 237.391 1.204 20 0 BDADMP Cc1[nH+]cc(CN2CCCC[C@@]23CC[NH2+]C3)n1C ZINC001235125977 978979675 /nfs/dbraw/zinc/97/96/75/978979675.db2.gz QFXJWUTWPQKKFW-AWEZNQCLSA-N 2 1 248.374 1.447 20 0 BDADMP CC[NH2+]CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429512 979046135 /nfs/dbraw/zinc/04/61/35/979046135.db2.gz YVUUKJZTYFOUQF-KBPBESRZSA-N 3 1 239.407 1.308 20 0 BDADMP CC[NH2+]CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429512 979046143 /nfs/dbraw/zinc/04/61/43/979046143.db2.gz YVUUKJZTYFOUQF-KBPBESRZSA-N 3 1 239.407 1.308 20 0 BDADMP CCc1ncnc2c1CC[N@@H+](CCCC[NH3+])CC2 ZINC001235563515 979100426 /nfs/dbraw/zinc/10/04/26/979100426.db2.gz KTUSXZFOUJBFPF-UHFFFAOYSA-N 2 1 248.374 1.179 20 0 BDADMP CO[C@@H]1CCC[C@@H]2C[N@@H+](CCCC[NH3+])C[C@@H]21 ZINC001235626282 979105266 /nfs/dbraw/zinc/10/52/66/979105266.db2.gz UISYESVRQFXCDT-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001235673224 979113276 /nfs/dbraw/zinc/11/32/76/979113276.db2.gz MWLIWPUDRQSRNW-CYBMUJFWSA-N 2 1 219.332 1.610 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCCC[C@H]1CN1CCCC1 ZINC001235679928 979121173 /nfs/dbraw/zinc/12/11/73/979121173.db2.gz SGJNBTXINUXCHS-AWEZNQCLSA-N 2 1 239.407 1.676 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001235679928 979121177 /nfs/dbraw/zinc/12/11/77/979121177.db2.gz SGJNBTXINUXCHS-AWEZNQCLSA-N 2 1 239.407 1.676 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001235715884 979132974 /nfs/dbraw/zinc/13/29/74/979132974.db2.gz WZLJRNGBJVIEDY-CYBMUJFWSA-N 2 1 219.332 1.610 20 0 BDADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001235832832 979163623 /nfs/dbraw/zinc/16/36/23/979163623.db2.gz HQUPIHFTDIOYLN-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)CN(CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001235832832 979163631 /nfs/dbraw/zinc/16/36/31/979163631.db2.gz HQUPIHFTDIOYLN-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)C[N@@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001235833507 979165310 /nfs/dbraw/zinc/16/53/10/979165310.db2.gz QLTAQXNDKCRNCE-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)CN(CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001235833507 979165317 /nfs/dbraw/zinc/16/53/17/979165317.db2.gz QLTAQXNDKCRNCE-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235925915 979209207 /nfs/dbraw/zinc/20/92/07/979209207.db2.gz RSMAHFMMSSUWQH-RYUDHWBXSA-N 2 1 226.364 1.975 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235925915 979209215 /nfs/dbraw/zinc/20/92/15/979209215.db2.gz RSMAHFMMSSUWQH-RYUDHWBXSA-N 2 1 226.364 1.975 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001235977321 979240969 /nfs/dbraw/zinc/24/09/69/979240969.db2.gz GNBDFIITDLRFLJ-BZPMIXESSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCC1CCOCC1)C2 ZINC001235978174 979249437 /nfs/dbraw/zinc/24/94/37/979249437.db2.gz JAUWTTRUQSGYHU-QWHCGFSZSA-N 2 1 224.348 1.226 20 0 BDADMP CC1(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CCOCC1 ZINC001235980867 979263738 /nfs/dbraw/zinc/26/37/38/979263738.db2.gz RYIFFDCKNHANHJ-DGCLKSJQSA-N 2 1 224.348 1.226 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235992783 979278068 /nfs/dbraw/zinc/27/80/68/979278068.db2.gz LSFIAROFTANLID-YIONKMFJSA-N 2 1 246.354 1.401 20 0 BDADMP CC1(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CCCCC1 ZINC001236014050 979300401 /nfs/dbraw/zinc/30/04/01/979300401.db2.gz DFKWLEXSRZQXHY-AAEUAGOBSA-N 2 1 208.349 1.990 20 0 BDADMP CC(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206463908 979323144 /nfs/dbraw/zinc/32/31/44/979323144.db2.gz GOKSNUIZGGLYNX-LSDHHAIUSA-N 2 1 248.370 1.561 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001236042578 979338251 /nfs/dbraw/zinc/33/82/51/979338251.db2.gz RMZBCESUKQJWNQ-CMPLNLGQSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001236042578 979338263 /nfs/dbraw/zinc/33/82/63/979338263.db2.gz RMZBCESUKQJWNQ-CMPLNLGQSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C)N1CC[C@H]1CCC[NH2+]C1 ZINC001236103677 979394445 /nfs/dbraw/zinc/39/44/45/979394445.db2.gz BZKXBRYBSJHIQN-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP Nc1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001236106912 979394711 /nfs/dbraw/zinc/39/47/11/979394711.db2.gz JPSFJDASNDBDGF-UHFFFAOYSA-N 2 1 245.370 1.627 20 0 BDADMP CCN(CC[NH2+]C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236143064 979408262 /nfs/dbraw/zinc/40/82/62/979408262.db2.gz GUJONEAYZOTITN-MNOVXSKESA-N 2 1 249.349 1.019 20 0 BDADMP C[C@H]1C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C2(CC2)C1 ZINC001236152452 979415750 /nfs/dbraw/zinc/41/57/50/979415750.db2.gz DWLSGQJOHAJUOY-MNOVXSKESA-N 2 1 224.348 1.585 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C2(CC2)C1 ZINC001236152452 979415753 /nfs/dbraw/zinc/41/57/53/979415753.db2.gz DWLSGQJOHAJUOY-MNOVXSKESA-N 2 1 224.348 1.585 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)C[C@@H]2CCCCN2)CC1 ZINC001236211984 979452604 /nfs/dbraw/zinc/45/26/04/979452604.db2.gz AZZJTBLUFOFGFN-MOKVOYLWSA-N 2 1 239.407 1.591 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)C[C@@H]2CCCCN2)CC1 ZINC001236211984 979452612 /nfs/dbraw/zinc/45/26/12/979452612.db2.gz AZZJTBLUFOFGFN-MOKVOYLWSA-N 2 1 239.407 1.591 20 0 BDADMP CN(CC[N@@H+](C)CCCC[NH3+])Cc1ccccc1 ZINC001236307927 979511955 /nfs/dbraw/zinc/51/19/55/979511955.db2.gz PQUATUHSRGCTFH-UHFFFAOYSA-N 2 1 249.402 1.789 20 0 BDADMP C[C@@H]([NH3+])CN(C)CC[N@@H+](C)Cc1ccccc1 ZINC001236308592 979512021 /nfs/dbraw/zinc/51/20/21/979512021.db2.gz UDHOVBNLJPJRSH-CYBMUJFWSA-N 2 1 235.375 1.397 20 0 BDADMP CC(C)(C)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314988 979522922 /nfs/dbraw/zinc/52/29/22/979522922.db2.gz UDJKSSSHPRVSEB-TXEJJXNPSA-N 2 1 210.365 1.964 20 0 BDADMP Cc1cccnc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314339 979523802 /nfs/dbraw/zinc/52/38/02/979523802.db2.gz BGBRXYADBWPAQB-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314462 979525825 /nfs/dbraw/zinc/52/58/25/979525825.db2.gz NKERFCDNAGTTPM-OKILXGFUSA-N 2 1 246.354 1.824 20 0 BDADMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314152 979526222 /nfs/dbraw/zinc/52/62/22/979526222.db2.gz HZXNBBBZCPXRJX-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CC[C@H]1CCOC1 ZINC001341856074 979577808 /nfs/dbraw/zinc/57/78/08/979577808.db2.gz LVWOYPANPQSCAS-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC[C@H]1CCOC1 ZINC001341856074 979577814 /nfs/dbraw/zinc/57/78/14/979577814.db2.gz LVWOYPANPQSCAS-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC[C@H]1CCOC1 ZINC001341856074 979577820 /nfs/dbraw/zinc/57/78/20/979577820.db2.gz LVWOYPANPQSCAS-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC[C@H]1CCOC1 ZINC001341856074 979577825 /nfs/dbraw/zinc/57/78/25/979577825.db2.gz LVWOYPANPQSCAS-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC[C@H]1CCOC1 ZINC001341856074 979577831 /nfs/dbraw/zinc/57/78/31/979577831.db2.gz LVWOYPANPQSCAS-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP [NH3+]CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001236442194 979598380 /nfs/dbraw/zinc/59/83/80/979598380.db2.gz ZVCKNMUGMSJLDI-CABCVRRESA-N 2 1 245.370 1.151 20 0 BDADMP Cc1cccnc1O[C@@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001236664000 979687606 /nfs/dbraw/zinc/68/76/06/979687606.db2.gz NODBGYDBOAAMGI-CYBMUJFWSA-N 2 1 249.358 1.582 20 0 BDADMP CCC[N@@H+](CCCCO)C[C@@H]1CC[NH2+]C1 ZINC001236827675 979748656 /nfs/dbraw/zinc/74/86/56/979748656.db2.gz GLRNEZIDLDUGRA-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCC[NH2+]3)C[C@@H]12 ZINC001236821645 979746239 /nfs/dbraw/zinc/74/62/39/979746239.db2.gz WARWIKMLZKFUFV-AAVRWANBSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2CN(CC[C@H]3CCCC[NH2+]3)C[C@@H]12 ZINC001236821645 979746247 /nfs/dbraw/zinc/74/62/47/979746247.db2.gz WARWIKMLZKFUFV-AAVRWANBSA-N 2 1 237.391 1.188 20 0 BDADMP CC[C@H]([NH3+])CN(C)Cc1c[nH]c2cc[nH+]cc12 ZINC001236868849 979773439 /nfs/dbraw/zinc/77/34/39/979773439.db2.gz QIXSDTXUOOFHJT-NSHDSACASA-N 2 1 232.331 1.732 20 0 BDADMP CC(C)N1CC[N@@H+](CCCC[NH3+])C[C@@H]1C ZINC001236950676 979796764 /nfs/dbraw/zinc/79/67/64/979796764.db2.gz OPNHJSOMXGPYGQ-LBPRGKRZSA-N 2 1 213.369 1.140 20 0 BDADMP CC(C)[N@@H+]1CCN(CCCC[NH3+])C[C@@H]1C ZINC001236950676 979796766 /nfs/dbraw/zinc/79/67/66/979796766.db2.gz OPNHJSOMXGPYGQ-LBPRGKRZSA-N 2 1 213.369 1.140 20 0 BDADMP CC(C)[N@H+]1CCN(CCCC[NH3+])C[C@@H]1C ZINC001236950676 979796768 /nfs/dbraw/zinc/79/67/68/979796768.db2.gz OPNHJSOMXGPYGQ-LBPRGKRZSA-N 2 1 213.369 1.140 20 0 BDADMP CC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236912536 979797699 /nfs/dbraw/zinc/79/76/99/979797699.db2.gz UOMOBWNAVGPZBB-MNOVXSKESA-N 2 1 212.337 1.443 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236912536 979797702 /nfs/dbraw/zinc/79/77/02/979797702.db2.gz UOMOBWNAVGPZBB-MNOVXSKESA-N 2 1 212.337 1.443 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC[NH3+] ZINC001236998063 979798901 /nfs/dbraw/zinc/79/89/01/979798901.db2.gz BRPOUAIOXRZNQO-ZIAGYGMSSA-N 2 1 247.386 1.540 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001205263790 979813543 /nfs/dbraw/zinc/81/35/43/979813543.db2.gz CBNFXSHLRPHGML-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccncc2O)CC1 ZINC001205274130 979845369 /nfs/dbraw/zinc/84/53/69/979845369.db2.gz UJUMPNXGQKAEKO-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccncc2O)CC1 ZINC001205274130 979845371 /nfs/dbraw/zinc/84/53/71/979845371.db2.gz UJUMPNXGQKAEKO-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP [NH3+]CCCC[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001237276377 979858246 /nfs/dbraw/zinc/85/82/46/979858246.db2.gz VQUNRHZROASYDF-GHMZBOCLSA-N 2 1 210.321 1.026 20 0 BDADMP [NH3+]CCCC[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001237276420 979858628 /nfs/dbraw/zinc/85/86/28/979858628.db2.gz VQUNRHZROASYDF-WDEREUQCSA-N 2 1 210.321 1.026 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(O)cn2)CC1 ZINC001205281156 979878780 /nfs/dbraw/zinc/87/87/80/979878780.db2.gz QKQIUPPKBCDIAV-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cn2)CC1 ZINC001205281156 979878782 /nfs/dbraw/zinc/87/87/82/979878782.db2.gz QKQIUPPKBCDIAV-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP Cc1coc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC001237644787 979992901 /nfs/dbraw/zinc/99/29/01/979992901.db2.gz LGYMLDOAJIEJDP-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP CC(C)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001184387969 980060186 /nfs/dbraw/zinc/06/01/86/980060186.db2.gz OCCXOEJXKHLHGN-YNEHKIRRSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC001205317987 980154637 /nfs/dbraw/zinc/15/46/37/980154637.db2.gz RKMOUOKOQSJBOR-SWLSCSKDSA-N 2 1 247.386 1.562 20 0 BDADMP C[C@H]1CCN(Cc2cccc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC001205317987 980154645 /nfs/dbraw/zinc/15/46/45/980154645.db2.gz RKMOUOKOQSJBOR-SWLSCSKDSA-N 2 1 247.386 1.562 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@](C)(CO)C2)CC[NH2+]1 ZINC001345100909 980546838 /nfs/dbraw/zinc/54/68/38/980546838.db2.gz VVRWOIDPGFLETD-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccccn1 ZINC001345481557 980618141 /nfs/dbraw/zinc/61/81/41/980618141.db2.gz CXRRMHALUIBXAV-MNOVXSKESA-N 2 1 207.321 1.730 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001205537957 980911869 /nfs/dbraw/zinc/91/18/69/980911869.db2.gz KVVPMNULFVFESD-ZDUSSCGKSA-N 3 1 243.370 1.139 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545622 980948558 /nfs/dbraw/zinc/94/85/58/980948558.db2.gz KRVOOFPWKOHQPQ-WOPDTQHZSA-N 2 1 214.328 1.795 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)CC[C@H]1C[NH3+] ZINC001205600406 981155161 /nfs/dbraw/zinc/15/51/61/981155161.db2.gz BGARMFSBVMPVIJ-UPJWGTAASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c(N)n1 ZINC001348173307 981305058 /nfs/dbraw/zinc/30/50/58/981305058.db2.gz UWECBGKTTPNQNV-MNOVXSKESA-N 2 1 247.346 1.122 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2c[nH]ccc2=O)CC[C@@H]1C[NH3+] ZINC001205652257 981546044 /nfs/dbraw/zinc/54/60/44/981546044.db2.gz OSZUYEDZMWJYSN-VXGBXAGGSA-N 2 1 249.358 1.182 20 0 BDADMP c1cnc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cn1 ZINC001580896857 981733813 /nfs/dbraw/zinc/73/38/13/981733813.db2.gz VPNHEROZOQRORJ-CYBMUJFWSA-N 2 1 246.358 1.266 20 0 BDADMP c1cnc([C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cn1 ZINC001580896700 981737079 /nfs/dbraw/zinc/73/70/79/981737079.db2.gz NNAFIUSFCMFTGY-STQMWFEESA-N 2 1 246.358 1.266 20 0 BDADMP CCN(CC[NH2+]C(C)C)C(=O)CC[N@@H+](C)CC ZINC001273693904 982148558 /nfs/dbraw/zinc/14/85/58/982148558.db2.gz ATOSCEKOOWGEDU-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP C[N@@H+]1CC=C(c2ccccc2CC[NH3+])CC1 ZINC001241327706 982487643 /nfs/dbraw/zinc/48/76/43/982487643.db2.gz PJEOOPIEVYHNLY-UHFFFAOYSA-N 2 1 216.328 1.907 20 0 BDADMP c1cc2c[nH+]c(-c3cnn(C4C[NH2+]C4)c3)cc2[nH]1 ZINC001241589584 982834039 /nfs/dbraw/zinc/83/40/39/982834039.db2.gz MSBPFMYATAHXJW-UHFFFAOYSA-N 2 1 239.282 1.571 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205905219 983131664 /nfs/dbraw/zinc/13/16/64/983131664.db2.gz ZJNWWDAJWTXZHG-GXTWGEPZSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205905220 983133635 /nfs/dbraw/zinc/13/36/35/983133635.db2.gz ZJNWWDAJWTXZHG-JSGCOSHPSA-N 3 1 239.407 1.435 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001354232821 983213761 /nfs/dbraw/zinc/21/37/61/983213761.db2.gz BZLPDUDJJCPXHK-ZDEQEGDKSA-N 3 1 237.391 1.363 20 0 BDADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC(C)C)C[C@@H]2C1 ZINC001201470929 983281043 /nfs/dbraw/zinc/28/10/43/983281043.db2.gz JJAXMMJOCTWAPF-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC(C)C)C[C@@H]2C1 ZINC001201470929 983281044 /nfs/dbraw/zinc/28/10/44/983281044.db2.gz JJAXMMJOCTWAPF-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001201470929 983281046 /nfs/dbraw/zinc/28/10/46/983281046.db2.gz JJAXMMJOCTWAPF-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2C1 ZINC001201470929 983281048 /nfs/dbraw/zinc/28/10/48/983281048.db2.gz JJAXMMJOCTWAPF-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)CC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001201623937 983381448 /nfs/dbraw/zinc/38/14/48/983381448.db2.gz GGYBOAJYUCXYPJ-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1NC1CCC(C[NH3+])CC1 ZINC001356049440 983565102 /nfs/dbraw/zinc/56/51/02/983565102.db2.gz IPYZEAWSCAPGCN-MCIGGMRASA-N 2 1 225.380 1.092 20 0 BDADMP C[N@H+](C[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC001202445311 983663765 /nfs/dbraw/zinc/66/37/65/983663765.db2.gz WGVBLPFYNJIKDZ-LLVKDONJSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC001202445311 983663770 /nfs/dbraw/zinc/66/37/70/983663770.db2.gz WGVBLPFYNJIKDZ-LLVKDONJSA-N 2 1 212.337 1.049 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@]12CCOC2 ZINC001574799655 984116983 /nfs/dbraw/zinc/11/69/83/984116983.db2.gz FHXHCMHTUDSGER-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H](CCCO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575952543 984135230 /nfs/dbraw/zinc/13/52/30/984135230.db2.gz FKOLFVPXTKTCAW-YUMQZZPRSA-N 2 1 228.258 1.017 20 0 BDADMP C[C@H](Cc1ccsc1)[N@@H+](C)C[C@@H](O)CC[NH3+] ZINC001576064991 984143243 /nfs/dbraw/zinc/14/32/43/984143243.db2.gz ABIWLTZTADTGCW-PWSUYJOCSA-N 2 1 242.388 1.321 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576261775 984157611 /nfs/dbraw/zinc/15/76/11/984157611.db2.gz AXDLPMVBRMZZNJ-WUHRBBMRSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H]1CC2(CC([NH2+]C(C)(C)C[NH3+])C2)CO1 ZINC001576636243 984178670 /nfs/dbraw/zinc/17/86/70/984178670.db2.gz IBIJBVFZJCMHEO-BMQDGWLCSA-N 2 1 212.337 1.271 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(N(C)C)n2)CC[C@H]1[NH3+] ZINC001576809493 984184478 /nfs/dbraw/zinc/18/44/78/984184478.db2.gz ZYOZBCCBJUEEOG-WCQYABFASA-N 2 1 248.374 1.317 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(N(C)C)n2)CC[C@H]1[NH3+] ZINC001576809493 984184480 /nfs/dbraw/zinc/18/44/80/984184480.db2.gz ZYOZBCCBJUEEOG-WCQYABFASA-N 2 1 248.374 1.317 20 0 BDADMP CCCn1cncc1C[NH2+]C1CC[NH2+]CC1 ZINC001577625019 984202456 /nfs/dbraw/zinc/20/24/56/984202456.db2.gz WLLKTWPXUAXXDJ-UHFFFAOYSA-N 2 1 222.336 1.135 20 0 BDADMP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001253551553 984203807 /nfs/dbraw/zinc/20/38/07/984203807.db2.gz PJFPQUHRJNSLEX-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP C[N@H+]1CCCC[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC001578528757 984217249 /nfs/dbraw/zinc/21/72/49/984217249.db2.gz KZKWWBDBEXAYQQ-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP CO[C@]1(C)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001578924961 984232518 /nfs/dbraw/zinc/23/25/18/984232518.db2.gz WGJODFXKBNNELH-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)C1CC1 ZINC001580229895 984435997 /nfs/dbraw/zinc/43/59/97/984435997.db2.gz VTKCAROOWRTDKP-NWDGAFQWSA-N 2 1 248.326 1.153 20 0 BDADMP CC(C)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001275459484 984569146 /nfs/dbraw/zinc/56/91/46/984569146.db2.gz QGAHRCZVJNIARG-LBPRGKRZSA-N 2 1 243.395 1.077 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC001577687894 984642146 /nfs/dbraw/zinc/64/21/46/984642146.db2.gz UZAQQMQNWUCZBT-NEPJUHHUSA-N 3 1 227.396 1.304 20 0 BDADMP CC[N@H+](CCC1OCCCO1)[C@H]1CCC[NH2+]C1 ZINC001577712912 984647823 /nfs/dbraw/zinc/64/78/23/984647823.db2.gz DGPARUAPHSDZLC-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](CCC1OCCCO1)[C@H]1CCC[NH2+]C1 ZINC001577712912 984647845 /nfs/dbraw/zinc/64/78/45/984647845.db2.gz DGPARUAPHSDZLC-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@@H]1CCCC[NH2+]C1 ZINC001577710930 984649005 /nfs/dbraw/zinc/64/90/05/984649005.db2.gz JFBNPJQLHAGNDK-GFCCVEGCSA-N 2 1 242.363 1.261 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ncc[nH]3)C[C@H]2CC1 ZINC001275842505 984697906 /nfs/dbraw/zinc/69/79/06/984697906.db2.gz JFHXKJMTLSBQFT-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ncc[nH]3)C[C@H]2CC1 ZINC001275842505 984697918 /nfs/dbraw/zinc/69/79/18/984697918.db2.gz JFHXKJMTLSBQFT-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ncc[nH]3)C[C@H]2CC1 ZINC001275842505 984697938 /nfs/dbraw/zinc/69/79/38/984697938.db2.gz JFHXKJMTLSBQFT-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP CC[N@H+](CCSC)C[C@H]([NH3+])CCOC ZINC001577728839 984699007 /nfs/dbraw/zinc/69/90/07/984699007.db2.gz SGDJQTGWUXAVGO-SNVBAGLBSA-N 2 1 220.382 1.035 20 0 BDADMP CC[N@@H+](CCSC)C[C@H]([NH3+])CCOC ZINC001577728839 984699052 /nfs/dbraw/zinc/69/90/52/984699052.db2.gz SGDJQTGWUXAVGO-SNVBAGLBSA-N 2 1 220.382 1.035 20 0 BDADMP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[NH2+]C3)CC1 ZINC001577764195 984722525 /nfs/dbraw/zinc/72/25/25/984722525.db2.gz UBUFIWLGGKWHHE-UHFFFAOYSA-N 3 1 237.391 1.014 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000380153751 984734107 /nfs/dbraw/zinc/73/41/07/984734107.db2.gz JCZANIQBYKQHIO-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001577770149 984746960 /nfs/dbraw/zinc/74/69/60/984746960.db2.gz APHZKYSDULZAKS-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001577771332 984781383 /nfs/dbraw/zinc/78/13/83/984781383.db2.gz VBBATKGBFJJYJQ-GHMZBOCLSA-N 2 1 247.333 1.058 20 0 BDADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccon1)CC2 ZINC001276066973 984808775 /nfs/dbraw/zinc/80/87/75/984808775.db2.gz SVSRVJRJWAVRGJ-UHFFFAOYSA-N 2 1 235.331 1.592 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccon1)CC2 ZINC001276066973 984808776 /nfs/dbraw/zinc/80/87/76/984808776.db2.gz SVSRVJRJWAVRGJ-UHFFFAOYSA-N 2 1 235.331 1.592 20 0 BDADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001577908614 984819954 /nfs/dbraw/zinc/81/99/54/984819954.db2.gz NEYZWUNABKUBLC-WISYIIOYSA-N 2 1 242.363 1.304 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)C1CC1 ZINC001578075191 984838276 /nfs/dbraw/zinc/83/82/76/984838276.db2.gz GNFCSOHAPFGVOR-RYUDHWBXSA-N 2 1 212.337 1.128 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]2)C12CCC2 ZINC001578093316 984845519 /nfs/dbraw/zinc/84/55/19/984845519.db2.gz HDSMTMLGRSTAET-SDDRHHMPSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])C[C@H](C)O1 ZINC001257085884 984851885 /nfs/dbraw/zinc/85/18/85/984851885.db2.gz CFKNGROKUVALKO-ZSBIGDGJSA-N 2 1 237.347 1.903 20 0 BDADMP CCC[C@H](CC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001257266376 984866116 /nfs/dbraw/zinc/86/61/16/984866116.db2.gz OBSISJYIKDOWHM-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001578259976 984902728 /nfs/dbraw/zinc/90/27/28/984902728.db2.gz UWXHRBNPZGQPFL-KGLIPLIRSA-N 2 1 234.343 1.061 20 0 BDADMP CCc1cn(Cc2nc(C(C)(C)N)no2)cn1 ZINC001578282116 984926144 /nfs/dbraw/zinc/92/61/44/984926144.db2.gz FOTSUDTVQIGYQT-UHFFFAOYSA-N 2 1 235.291 1.071 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000686011120 985038097 /nfs/dbraw/zinc/03/80/97/985038097.db2.gz AUOJXKBODFZVNT-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000686011120 985038114 /nfs/dbraw/zinc/03/81/14/985038114.db2.gz AUOJXKBODFZVNT-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP CN(C)C1(C[NH2+]CC2(C[NH3+])CCC2)CCC1 ZINC001578409585 985044120 /nfs/dbraw/zinc/04/41/20/985044120.db2.gz ZCVRMITXIYSEDP-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578445670 985078358 /nfs/dbraw/zinc/07/83/58/985078358.db2.gz SCYAIONXHBTXQN-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+](C[C@H]1CCC[C@@H]1O)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578453282 985088403 /nfs/dbraw/zinc/08/84/03/985088403.db2.gz ZOBTWFTWCVSKHD-LOWDOPEQSA-N 2 1 226.364 1.207 20 0 BDADMP Cn1ncc(C[NH3+])c1C[N@@H+](C)C[C@H]1CC1(C)C ZINC001578486383 985111570 /nfs/dbraw/zinc/11/15/70/985111570.db2.gz OPYGJXIMMYAXQP-LLVKDONJSA-N 2 1 236.363 1.357 20 0 BDADMP C[N@@H+](C[C@H]1COC(C)(C)O1)CC(C)(C)C[NH3+] ZINC001578486297 985114420 /nfs/dbraw/zinc/11/44/20/985114420.db2.gz KVFZEDHERJLNNJ-JTQLQIEISA-N 2 1 230.352 1.055 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001578520348 985133498 /nfs/dbraw/zinc/13/34/98/985133498.db2.gz ANHBHSXNTZAVFA-OFCMCXEBSA-N 2 1 249.402 1.199 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001578520348 985133507 /nfs/dbraw/zinc/13/35/07/985133507.db2.gz ANHBHSXNTZAVFA-OFCMCXEBSA-N 3 1 249.402 1.199 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001578520348 985133509 /nfs/dbraw/zinc/13/35/09/985133509.db2.gz ANHBHSXNTZAVFA-OFCMCXEBSA-N 3 1 249.402 1.199 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H](C[NH3+])C1CCCC1 ZINC001578530733 985162335 /nfs/dbraw/zinc/16/23/35/985162335.db2.gz NIIVMKPZFZPNFM-OLZOCXBDSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H](C[NH3+])C1CCCC1 ZINC001578530732 985165423 /nfs/dbraw/zinc/16/54/23/985165423.db2.gz NIIVMKPZFZPNFM-CHWSQXEVSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc(C[NH3+])c3)C[C@@H]21 ZINC001578541252 985177313 /nfs/dbraw/zinc/17/73/13/985177313.db2.gz YBFCRBSNTXWXHR-CABCVRRESA-N 2 1 245.370 1.281 20 0 BDADMP CN1CC[C@@H]2C[N@H+](Cc3cccc(C[NH3+])c3)C[C@@H]21 ZINC001578541252 985177325 /nfs/dbraw/zinc/17/73/25/985177325.db2.gz YBFCRBSNTXWXHR-CABCVRRESA-N 2 1 245.370 1.281 20 0 BDADMP CN1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH3+])c3)C[C@@H]21 ZINC001578541252 985177332 /nfs/dbraw/zinc/17/73/32/985177332.db2.gz YBFCRBSNTXWXHR-CABCVRRESA-N 2 1 245.370 1.281 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001578622343 985234285 /nfs/dbraw/zinc/23/42/85/985234285.db2.gz SCGWUHOIHVAJQI-DGCLKSJQSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001578654627 985273073 /nfs/dbraw/zinc/27/30/73/985273073.db2.gz VEDHULSKGOUROR-IHRRRGAJSA-N 2 1 238.375 1.077 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCCO2)C1 ZINC001578657302 985278048 /nfs/dbraw/zinc/27/80/48/985278048.db2.gz UVANSRMGNNFYOJ-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001578687342 985296442 /nfs/dbraw/zinc/29/64/42/985296442.db2.gz JTGQBMYRFSIZCU-UHFFFAOYSA-N 2 1 245.367 1.052 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC001578687342 985296459 /nfs/dbraw/zinc/29/64/59/985296459.db2.gz JTGQBMYRFSIZCU-UHFFFAOYSA-N 2 1 245.367 1.052 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1C1CCC2(COC2)CC1 ZINC001257904818 985305216 /nfs/dbraw/zinc/30/52/16/985305216.db2.gz NLRVLJSEJSBFPR-UHFFFAOYSA-N 2 1 249.358 1.906 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001578788233 985352328 /nfs/dbraw/zinc/35/23/28/985352328.db2.gz HWBVPSGKADOQCD-WISYIIOYSA-N 2 1 240.347 1.058 20 0 BDADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001578788230 985354213 /nfs/dbraw/zinc/35/42/13/985354213.db2.gz HWBVPSGKADOQCD-NOOOWODRSA-N 2 1 240.347 1.058 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)C(C)C ZINC000687799144 985387169 /nfs/dbraw/zinc/38/71/69/985387169.db2.gz WFJAFPHOAMOGCK-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)C(C)C ZINC000687799144 985387175 /nfs/dbraw/zinc/38/71/75/985387175.db2.gz WFJAFPHOAMOGCK-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CO[C@@](C)(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC001578897980 985471287 /nfs/dbraw/zinc/47/12/87/985471287.db2.gz PEXJDQHEWORIRE-UHTWSYAYSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@@](C)(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC001578897980 985471320 /nfs/dbraw/zinc/47/13/20/985471320.db2.gz PEXJDQHEWORIRE-UHTWSYAYSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000688046311 985525839 /nfs/dbraw/zinc/52/58/39/985525839.db2.gz BEPMYGLSYCJRJD-NQBHXWOUSA-N 2 1 224.348 1.095 20 0 BDADMP COC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC001578927153 985526270 /nfs/dbraw/zinc/52/62/70/985526270.db2.gz UONRZFDPFWOKJS-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP COC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC001578927153 985526297 /nfs/dbraw/zinc/52/62/97/985526297.db2.gz UONRZFDPFWOKJS-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578937118 985545954 /nfs/dbraw/zinc/54/59/54/985545954.db2.gz GTDZWKICPIPCGZ-XQHKEYJVSA-N 2 1 224.348 1.095 20 0 BDADMP Nc1cc(/C=C/C2CC[NH2+]CC2)cc[nH+]1 ZINC001243895455 985580004 /nfs/dbraw/zinc/58/00/04/985580004.db2.gz BZNPNRLOXAWDNF-OWOJBTEDSA-N 2 1 203.289 1.677 20 0 BDADMP COC[C@H](C)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC001578957388 985581037 /nfs/dbraw/zinc/58/10/37/985581037.db2.gz OFBUOCWXYIJMAY-MNOVXSKESA-N 2 1 202.342 1.232 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+](C)CCC1CCOCC1 ZINC001579000529 985646226 /nfs/dbraw/zinc/64/62/26/985646226.db2.gz XCURQTAOEDBSIY-CYBMUJFWSA-N 2 1 244.379 1.099 20 0 BDADMP COc1cc(C[NH2+]CC2C[NH2+]C2)ccc1F ZINC001579153310 985815353 /nfs/dbraw/zinc/81/53/53/985815353.db2.gz ZFJPVPCLFZFERC-UHFFFAOYSA-N 2 1 224.279 1.143 20 0 BDADMP COC(=O)CC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001258348344 985827067 /nfs/dbraw/zinc/82/70/67/985827067.db2.gz KTYSDCHUPPVHLZ-VIFPVBQESA-N 2 1 239.319 1.207 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)CCC(=O)OC)CC1 ZINC001258349748 985828533 /nfs/dbraw/zinc/82/85/33/985828533.db2.gz ZWHOUEPYXAAXKH-NSHDSACASA-N 2 1 242.363 1.402 20 0 BDADMP COc1nc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC001579323684 985848159 /nfs/dbraw/zinc/84/81/59/985848159.db2.gz NBSKMFUKCWUXRI-NWDGAFQWSA-N 2 1 249.358 1.568 20 0 BDADMP COc1nc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC001579323684 985848168 /nfs/dbraw/zinc/84/81/68/985848168.db2.gz NBSKMFUKCWUXRI-NWDGAFQWSA-N 2 1 249.358 1.568 20 0 BDADMP CSC1CC([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001579367442 985862438 /nfs/dbraw/zinc/86/24/38/985862438.db2.gz MODXJYHSGUMKKE-SEZDTBSWSA-N 2 1 200.351 1.078 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460865462 985919410 /nfs/dbraw/zinc/91/94/10/985919410.db2.gz WHDQBIVEYWFFQR-RQJABVFESA-N 2 1 222.376 1.916 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460865462 985919417 /nfs/dbraw/zinc/91/94/17/985919417.db2.gz WHDQBIVEYWFFQR-RQJABVFESA-N 2 1 222.376 1.916 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460865462 985919429 /nfs/dbraw/zinc/91/94/29/985919429.db2.gz WHDQBIVEYWFFQR-RQJABVFESA-N 2 1 222.376 1.916 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)C[C@H]1CC[NH3+] ZINC001579440486 985930796 /nfs/dbraw/zinc/93/07/96/985930796.db2.gz CUZWUOSJGMFKDU-ZYHUDNBSSA-N 2 1 235.331 1.204 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC001579454503 985941855 /nfs/dbraw/zinc/94/18/55/985941855.db2.gz HSIOMQXYYWYYHI-WOPDTQHZSA-N 2 1 228.380 1.181 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC001579454660 985945231 /nfs/dbraw/zinc/94/52/31/985945231.db2.gz TVIOAQQXCCMHBY-XJFOESAGSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC001579454720 985949561 /nfs/dbraw/zinc/94/95/61/985949561.db2.gz XXSNCHCGNXSUJC-MQYQWHSLSA-N 2 1 238.375 1.200 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC001579470869 985973620 /nfs/dbraw/zinc/97/36/20/985973620.db2.gz KVAVJNHNBUCSTA-XQHKEYJVSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001258612776 985985965 /nfs/dbraw/zinc/98/59/65/985985965.db2.gz FYMRKYYJFLMOEI-ZFWWWQNUSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@H](C)O1 ZINC001579490522 986014452 /nfs/dbraw/zinc/01/44/52/986014452.db2.gz SVCLUZFJNGMQQN-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001579499627 986027012 /nfs/dbraw/zinc/02/70/12/986027012.db2.gz ZDZBJCQGKAGLHE-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)C)[C@H](C)C1 ZINC000305135520 986078186 /nfs/dbraw/zinc/07/81/86/986078186.db2.gz OJWDJLQDNIQFOR-RDBSUJKOSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cc(C[NH2+]CC2([NH3+])CCOCC2)cc(C)n1 ZINC001579601781 986127020 /nfs/dbraw/zinc/12/70/20/986127020.db2.gz ZYGCHBZRXGXTSF-UHFFFAOYSA-N 2 1 249.358 1.296 20 0 BDADMP Cc1ccnc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC001579812063 986228464 /nfs/dbraw/zinc/22/84/64/986228464.db2.gz WTLBANWNZWLQAA-AWEZNQCLSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC001579845654 986268154 /nfs/dbraw/zinc/26/81/54/986268154.db2.gz CPGGZVWZTHNDAE-WCABBAIRSA-N 2 1 238.335 1.356 20 0 BDADMP Cc1nc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC001579845654 986268159 /nfs/dbraw/zinc/26/81/59/986268159.db2.gz CPGGZVWZTHNDAE-WCABBAIRSA-N 2 1 238.335 1.356 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@]3(C)CCCCO3)C[C@@H]2C1 ZINC001462170542 986300602 /nfs/dbraw/zinc/30/06/02/986300602.db2.gz KKRVRYAYERQCMB-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP Cn1cc(C[N@H+](C)CCCCCCC[NH3+])nn1 ZINC000689261232 986468646 /nfs/dbraw/zinc/46/86/46/986468646.db2.gz LBCKUEUZXWJZCB-UHFFFAOYSA-N 2 1 239.367 1.156 20 0 BDADMP Cn1cc(C[N@@H+](C)CCCCCCC[NH3+])nn1 ZINC000689261232 986468673 /nfs/dbraw/zinc/46/86/73/986468673.db2.gz LBCKUEUZXWJZCB-UHFFFAOYSA-N 2 1 239.367 1.156 20 0 BDADMP CO[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001462656295 986490279 /nfs/dbraw/zinc/49/02/79/986490279.db2.gz WJZPPWVSAYOUQX-ZOBORPQBSA-N 2 1 240.391 1.683 20 0 BDADMP C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001462671024 986498243 /nfs/dbraw/zinc/49/82/43/986498243.db2.gz QHUVCKWZPVOITE-MHDGFBEUSA-N 2 1 249.358 1.535 20 0 BDADMP Cc1ncncc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573516 986636222 /nfs/dbraw/zinc/63/62/22/986636222.db2.gz MLAYZUYBEDUGQT-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1ncncc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573516 986636239 /nfs/dbraw/zinc/63/62/39/986636239.db2.gz MLAYZUYBEDUGQT-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP C[NH+](C)C1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254515988 986650114 /nfs/dbraw/zinc/65/01/14/986650114.db2.gz IHRDKAYNNPNJFK-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@](C)(O)CC2)CC1 ZINC001254515981 986652203 /nfs/dbraw/zinc/65/22/03/986652203.db2.gz IBCLIWQAMCFIQA-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC001254515981 986652206 /nfs/dbraw/zinc/65/22/06/986652206.db2.gz IBCLIWQAMCFIQA-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC001254515981 986652208 /nfs/dbraw/zinc/65/22/08/986652208.db2.gz IBCLIWQAMCFIQA-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP COCC1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515881 986671718 /nfs/dbraw/zinc/67/17/18/986671718.db2.gz FXJWWBLVOSSFDZ-LBPRGKRZSA-N 2 1 212.337 1.049 20 0 BDADMP CC(C)O[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254530578 986675205 /nfs/dbraw/zinc/67/52/05/986675205.db2.gz YUJJXSHIRAHVNY-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000379995667 986692128 /nfs/dbraw/zinc/69/21/28/986692128.db2.gz IFPVFWCUCFCPEL-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]CC1(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC001580243551 986698527 /nfs/dbraw/zinc/69/85/27/986698527.db2.gz KWBNSJYCNXOYAY-DTWKUNHWSA-N 2 1 216.275 1.312 20 0 BDADMP [NH3+]C[C@@]12C[N@H+](Cc3cc[nH]n3)C[C@@H]1CCCC2 ZINC001580256861 986708001 /nfs/dbraw/zinc/70/80/01/986708001.db2.gz YNXUMRXOQKKZPE-AAEUAGOBSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@@]12C[N@@H+](Cc3cc[nH]n3)C[C@@H]1CCCC2 ZINC001580256861 986708016 /nfs/dbraw/zinc/70/80/16/986708016.db2.gz YNXUMRXOQKKZPE-AAEUAGOBSA-N 2 1 234.347 1.361 20 0 BDADMP C[N@H+]1CC[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001255419587 986941855 /nfs/dbraw/zinc/94/18/55/986941855.db2.gz DFHPNADVDXCADO-NEPJUHHUSA-N 2 1 231.343 1.253 20 0 BDADMP CCC(CC)[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C2)C1 ZINC001255423713 986943576 /nfs/dbraw/zinc/94/35/76/986943576.db2.gz YBYQFPZBYCEGJR-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C2)C1 ZINC001255423713 986943586 /nfs/dbraw/zinc/94/35/86/986943586.db2.gz YBYQFPZBYCEGJR-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C2)C1 ZINC001255423713 986943594 /nfs/dbraw/zinc/94/35/94/986943594.db2.gz YBYQFPZBYCEGJR-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C2)C1 ZINC001255423713 986943602 /nfs/dbraw/zinc/94/36/02/986943602.db2.gz YBYQFPZBYCEGJR-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2CC[NH+](C)C2)C1 ZINC001255441039 986961977 /nfs/dbraw/zinc/96/19/77/986961977.db2.gz KFUROTQXKMMROZ-QWHCGFSZSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2CC[N@H+](C)C2)C1 ZINC001255441039 986961990 /nfs/dbraw/zinc/96/19/90/986961990.db2.gz KFUROTQXKMMROZ-QWHCGFSZSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC001255441039 986961997 /nfs/dbraw/zinc/96/19/97/986961997.db2.gz KFUROTQXKMMROZ-QWHCGFSZSA-N 2 1 225.380 1.105 20 0 BDADMP CCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001245970219 987244232 /nfs/dbraw/zinc/24/42/32/987244232.db2.gz BHIJCAHEUJRDDM-RWMBFGLXSA-N 2 1 228.380 1.658 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623351 987249805 /nfs/dbraw/zinc/24/98/05/987249805.db2.gz OJJOTOKQUWINKI-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623351 987249813 /nfs/dbraw/zinc/24/98/13/987249813.db2.gz OJJOTOKQUWINKI-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256623351 987249817 /nfs/dbraw/zinc/24/98/17/987249817.db2.gz OJJOTOKQUWINKI-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256623351 987249824 /nfs/dbraw/zinc/24/98/24/987249824.db2.gz OJJOTOKQUWINKI-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001245999630 987279744 /nfs/dbraw/zinc/27/97/44/987279744.db2.gz BGEMCXJPSULUQZ-NEPJUHHUSA-N 2 1 226.295 1.186 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001246006824 987286069 /nfs/dbraw/zinc/28/60/69/987286069.db2.gz VTMDDZFPUQAQAC-BXKDBHETSA-N 2 1 244.285 1.325 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692872969 987297838 /nfs/dbraw/zinc/29/78/38/987297838.db2.gz MTXQIQSTBQUFED-KGLIPLIRSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)(O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246020989 987302236 /nfs/dbraw/zinc/30/22/36/987302236.db2.gz KUCAJCJAEFRJTN-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246020659 987308358 /nfs/dbraw/zinc/30/83/58/987308358.db2.gz JKUYJSBNAGYBCW-AGIUHOORSA-N 2 1 228.380 1.597 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246020659 987308370 /nfs/dbraw/zinc/30/83/70/987308370.db2.gz JKUYJSBNAGYBCW-AGIUHOORSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](C[C@H](O)C(F)(F)F)CC1 ZINC001246022339 987311176 /nfs/dbraw/zinc/31/11/76/987311176.db2.gz QVGOLNWDAFHXDS-DTWKUNHWSA-N 2 1 240.269 1.113 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H](O)C(F)(F)F)CC1 ZINC001246022339 987311182 /nfs/dbraw/zinc/31/11/82/987311182.db2.gz QVGOLNWDAFHXDS-DTWKUNHWSA-N 2 1 240.269 1.113 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000693776855 987314855 /nfs/dbraw/zinc/31/48/55/987314855.db2.gz KSGYPEGHWXIEOE-JTQLQIEISA-N 2 1 246.445 1.724 20 0 BDADMP CC1(C)C[N@H+](CC[C@@H]2CCOC2)C[C@H]1[NH3+] ZINC000400730518 987324001 /nfs/dbraw/zinc/32/40/01/987324001.db2.gz YPPCHSXGANPJMO-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1[NH3+] ZINC000400730518 987324010 /nfs/dbraw/zinc/32/40/10/987324010.db2.gz YPPCHSXGANPJMO-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000696789854 987343493 /nfs/dbraw/zinc/34/34/93/987343493.db2.gz RKQQAYCYMIBWAK-KGLIPLIRSA-N 2 1 242.407 1.988 20 0 BDADMP CCCCC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246060594 987348605 /nfs/dbraw/zinc/34/86/05/987348605.db2.gz VEKHNPGVOXYMSQ-WDEREUQCSA-N 2 1 202.342 1.207 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246060594 987348613 /nfs/dbraw/zinc/34/86/13/987348613.db2.gz VEKHNPGVOXYMSQ-WDEREUQCSA-N 2 1 202.342 1.207 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697090433 987352240 /nfs/dbraw/zinc/35/22/40/987352240.db2.gz ZGQOYLCAISBLKP-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697090433 987352246 /nfs/dbraw/zinc/35/22/46/987352246.db2.gz ZGQOYLCAISBLKP-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246073213 987359765 /nfs/dbraw/zinc/35/97/65/987359765.db2.gz RFAPUCQKFVWEQQ-UHFFFAOYSA-N 3 1 225.380 1.108 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246082514 987376656 /nfs/dbraw/zinc/37/66/56/987376656.db2.gz WXHABNCAEZGPFB-GFCCVEGCSA-N 3 1 227.396 1.448 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CCCCO1 ZINC000699710738 987381214 /nfs/dbraw/zinc/38/12/14/987381214.db2.gz MYVNALLCRCGTCN-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CC[C@H]1CCCCO1 ZINC000699710738 987381207 /nfs/dbraw/zinc/38/12/07/987381207.db2.gz MYVNALLCRCGTCN-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)C[NH2+]1 ZINC001246090263 987392544 /nfs/dbraw/zinc/39/25/44/987392544.db2.gz WDTWUWLQHNDFFJ-FVCCEPFGSA-N 2 1 226.364 1.410 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCC[NH2+]CC1 ZINC001246093031 987401529 /nfs/dbraw/zinc/40/15/29/987401529.db2.gz GRCCZCBSMWTVKM-OLZOCXBDSA-N 3 1 225.380 1.108 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246096839 987410211 /nfs/dbraw/zinc/41/02/11/987410211.db2.gz NAYSBABUHDRKKL-FDYHWXHSSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246096843 987410360 /nfs/dbraw/zinc/41/03/60/987410360.db2.gz NAYSBABUHDRKKL-MROQNXINSA-N 3 1 225.380 1.105 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(=O)[nH]1 ZINC001246103193 987428289 /nfs/dbraw/zinc/42/82/89/987428289.db2.gz GJISOBCCRGBXML-JQWIXIFHSA-N 2 1 249.358 1.634 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105513 987434470 /nfs/dbraw/zinc/43/44/70/987434470.db2.gz MQKYXCOQVLZMBU-WCQYABFASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246112118 987445988 /nfs/dbraw/zinc/44/59/88/987445988.db2.gz NBBYLIVMZKRPGO-PEBLQZBPSA-N 3 1 239.407 1.351 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246113364 987448967 /nfs/dbraw/zinc/44/89/67/987448967.db2.gz SWFWNAUWNAXDKC-MQYQWHSLSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC[C@@H](CN[C@H]2CCC[N@@H+](C)CC2)[NH2+]C1 ZINC001246115629 987453926 /nfs/dbraw/zinc/45/39/26/987453926.db2.gz RRBZKYGNFZUMRG-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246114464 987455211 /nfs/dbraw/zinc/45/52/11/987455211.db2.gz WQOOWWMCIZZXSF-FVCCEPFGSA-N 3 1 225.380 1.105 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116072 987455707 /nfs/dbraw/zinc/45/57/07/987455707.db2.gz DKWDIJKLYITREK-FRRDWIJNSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246116210 987459969 /nfs/dbraw/zinc/45/99/69/987459969.db2.gz VYTNKYTZBVHEFH-VNHYZAJKSA-N 2 1 247.386 1.990 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246127394 987470877 /nfs/dbraw/zinc/47/08/77/987470877.db2.gz KKIOMTJLYRLMAF-XDQVBPFNSA-N 3 1 237.391 1.106 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC001246127671 987477835 /nfs/dbraw/zinc/47/78/35/987477835.db2.gz MDEAEKUMOUPLFY-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP CC[NH+](CC)CCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246162356 987523705 /nfs/dbraw/zinc/52/37/05/987523705.db2.gz PBYAIOSJCHAUFY-KBPBESRZSA-N 3 1 241.423 1.839 20 0 BDADMP CN(CC[NH2+][C@H]1CCCNC1)c1ccccc1 ZINC001246172800 987539918 /nfs/dbraw/zinc/53/99/18/987539918.db2.gz CRSSCVCSPOHGTO-ZDUSSCGKSA-N 2 1 233.359 1.464 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCCC[NH+](C)C)C[NH2+]1 ZINC001246174815 987542657 /nfs/dbraw/zinc/54/26/57/987542657.db2.gz XFHVDXSBHKUTDI-QWHCGFSZSA-N 3 1 227.396 1.448 20 0 BDADMP C([NH2+][C@@H]1CC2CCN(CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246197568 987591983 /nfs/dbraw/zinc/59/19/83/987591983.db2.gz BIQSTNOBUJQVDU-UONOGXRCSA-N 2 1 237.391 1.060 20 0 BDADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246197743 987592326 /nfs/dbraw/zinc/59/23/26/987592326.db2.gz LMCZQUXWPJNGEN-RYUDHWBXSA-N 3 1 225.380 1.106 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246200943 987594729 /nfs/dbraw/zinc/59/47/29/987594729.db2.gz STHIZSVNDFQJSM-IHRRRGAJSA-N 3 1 239.407 1.352 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246200946 987595798 /nfs/dbraw/zinc/59/57/98/987595798.db2.gz STHIZSVNDFQJSM-RDBSUJKOSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246203461 987597885 /nfs/dbraw/zinc/59/78/85/987597885.db2.gz AVMBQERDJZMAAZ-XUXIUFHCSA-N 3 1 239.407 1.482 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116499174 987605057 /nfs/dbraw/zinc/60/50/57/987605057.db2.gz YSMBKXQXURCKLZ-MGPQQGTHSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccncc3)CC2)CC[NH2+]1 ZINC001246210088 987607159 /nfs/dbraw/zinc/60/71/59/987607159.db2.gz IBFZTVKLIWQYIO-YPMHNXCESA-N 2 1 231.343 1.801 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CO)CC[NH2+]1 ZINC001246227560 987627301 /nfs/dbraw/zinc/62/73/01/987627301.db2.gz DNWQRQIBIQOPPB-BXUZGUMPSA-N 2 1 234.343 1.409 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1cccnc1 ZINC001246237810 987635639 /nfs/dbraw/zinc/63/56/39/987635639.db2.gz IIKOHNYVURBVNE-ZDUSSCGKSA-N 2 1 219.332 1.874 20 0 BDADMP c1cnc2c(c1)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246238508 987637049 /nfs/dbraw/zinc/63/70/49/987637049.db2.gz WARAGGCCLFPPSX-GFCCVEGCSA-N 2 1 217.316 1.411 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCc2cccnc2)C[NH2+]1 ZINC001246240153 987637602 /nfs/dbraw/zinc/63/76/02/987637602.db2.gz PNPOWXLHMOXDMU-OCCSQVGLSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC001246251993 987654035 /nfs/dbraw/zinc/65/40/35/987654035.db2.gz PWIYDUBDPYDVJC-WZRBSPASSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H](CO)C2CCCCC2)C[NH2+]1 ZINC001246266738 987662500 /nfs/dbraw/zinc/66/25/00/987662500.db2.gz PJWSIFFHILJWJY-IACUBPJLSA-N 2 1 240.391 1.658 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246269935 987664598 /nfs/dbraw/zinc/66/45/98/987664598.db2.gz CISBGCJQVDALRH-VXGBXAGGSA-N 3 1 241.423 1.870 20 0 BDADMP CCCNCC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246269826 987664947 /nfs/dbraw/zinc/66/49/47/987664947.db2.gz LLJFTNVBBTWYOM-KBPBESRZSA-N 2 1 239.407 1.498 20 0 BDADMP CC[C@H]1CC([NH2+][C@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246275610 987668787 /nfs/dbraw/zinc/66/87/87/987668787.db2.gz AWTSERPHDZGDCV-CYDGBPFRSA-N 3 1 239.407 1.765 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246274647 987669887 /nfs/dbraw/zinc/66/98/87/987669887.db2.gz YUMVPKSWZIBOFI-QWHCGFSZSA-N 3 1 225.380 1.108 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246274956 987670254 /nfs/dbraw/zinc/67/02/54/987670254.db2.gz XMJGHYMWUWPIST-MGPQQGTHSA-N 3 1 239.407 1.495 20 0 BDADMP CCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246297004 987691095 /nfs/dbraw/zinc/69/10/95/987691095.db2.gz DDRGUOHJDVJFCW-SDDRHHMPSA-N 2 1 214.353 1.125 20 0 BDADMP CCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246299156 987695077 /nfs/dbraw/zinc/69/50/77/987695077.db2.gz JXILKYLJVWXTMM-SDDRHHMPSA-N 2 1 214.353 1.125 20 0 BDADMP CC1(C)CCC[C@H]([NH2+][C@H]2C[NH2+]C[C@H]2CO)C1 ZINC001246301567 987698473 /nfs/dbraw/zinc/69/84/73/987698473.db2.gz XVCITIBVXGKTAQ-SRVKXCTJSA-N 2 1 226.364 1.125 20 0 BDADMP C[NH2+]C1CCC([NH2+]C[C@H](N)CC(C)C)CC1 ZINC001246304741 987704965 /nfs/dbraw/zinc/70/49/65/987704965.db2.gz BCUCLHSCCRZVBG-PNESKVBLSA-N 2 1 227.396 1.480 20 0 BDADMP C[C@H]([NH3+])CCN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246307327 987707425 /nfs/dbraw/zinc/70/74/25/987707425.db2.gz WPVIQCAJRFHVSQ-STQMWFEESA-N 2 1 239.407 1.720 20 0 BDADMP CC[C@H](N)C[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246310951 987711944 /nfs/dbraw/zinc/71/19/44/987711944.db2.gz AWHUNVMVHMBYFU-AVGNSLFASA-N 2 1 225.380 1.236 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246314875 987719104 /nfs/dbraw/zinc/71/91/04/987719104.db2.gz ZSULJXUWVUETSQ-GFCCVEGCSA-N 2 1 239.407 1.482 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COCc3ccccc32)CC[NH2+]1 ZINC001246321476 987728747 /nfs/dbraw/zinc/72/87/47/987728747.db2.gz WQMGBSZKMULMCH-KYOSRNDESA-N 2 1 246.354 1.988 20 0 BDADMP C[NH2+]Cc1cccc(CN[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246324357 987732490 /nfs/dbraw/zinc/73/24/90/987732490.db2.gz NLFOGDRNPKHDOZ-DOMZBBRYSA-N 2 1 247.386 1.636 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246328773 987736188 /nfs/dbraw/zinc/73/61/88/987736188.db2.gz SGZUTAOYKUWEDD-RVMXOQNASA-N 3 1 227.396 1.480 20 0 BDADMP CC(C)[C@H](N)C[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246334625 987741530 /nfs/dbraw/zinc/74/15/30/987741530.db2.gz VQCXZEAGDWMZSA-MGPQQGTHSA-N 2 1 239.407 1.482 20 0 BDADMP CC(C)[C@H](N)C[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246334624 987742527 /nfs/dbraw/zinc/74/25/27/987742527.db2.gz VQCXZEAGDWMZSA-MCIONIFRSA-N 2 1 239.407 1.482 20 0 BDADMP [NH3+]CCC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246335767 987746690 /nfs/dbraw/zinc/74/66/90/987746690.db2.gz MDYYECHKLZLIPA-WXRRBKDZSA-N 3 1 225.380 1.236 20 0 BDADMP C[NH2+]CC[C@H](C)[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246342160 987753513 /nfs/dbraw/zinc/75/35/13/987753513.db2.gz RITSRJXXHHAAOL-XQQFMLRXSA-N 3 1 225.380 1.378 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCc2cccc(N)c2)C[NH2+]1 ZINC001246346441 987755430 /nfs/dbraw/zinc/75/54/30/987755430.db2.gz FEADBFSJVKVUCP-RISCZKNCSA-N 2 1 233.359 1.541 20 0 BDADMP C[C@@H]1CC[C@@H](NCCCc2cccc(N)c2)C[NH2+]1 ZINC001246352580 987760683 /nfs/dbraw/zinc/76/06/83/987760683.db2.gz SFQAIVUYMMKUGZ-IUODEOHRSA-N 2 1 247.386 1.932 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2cccc(N)c2)C[NH2+]1 ZINC001246352580 987760689 /nfs/dbraw/zinc/76/06/89/987760689.db2.gz SFQAIVUYMMKUGZ-IUODEOHRSA-N 2 1 247.386 1.932 20 0 BDADMP C[C@@H]1CC[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]1 ZINC001246361157 987767492 /nfs/dbraw/zinc/76/74/92/987767492.db2.gz KBICCCLAOZNTQY-BNOWGMLFSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C(C)(C)C(C)(C)O)C[NH2+]1 ZINC001246392188 987778799 /nfs/dbraw/zinc/77/87/99/987778799.db2.gz VMDXZBASLFLPLK-UWVGGRQHSA-N 2 1 214.353 1.266 20 0 BDADMP CC(C)(C[NH2+][C@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC001246387522 987778947 /nfs/dbraw/zinc/77/89/47/987778947.db2.gz GNYLWYOHTPFVHL-AWEZNQCLSA-N 2 1 247.386 1.992 20 0 BDADMP C[C@H]1C[C@H](NCc2[nH+]cn3ccccc23)CC[NH2+]1 ZINC001246397677 987784713 /nfs/dbraw/zinc/78/47/13/987784713.db2.gz SWHNTJIXWXHKOS-NWDGAFQWSA-N 2 1 244.342 1.564 20 0 BDADMP CCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246402256 987785331 /nfs/dbraw/zinc/78/53/31/987785331.db2.gz UAWRKHOPDPHEEH-ZJUUUORDSA-N 2 1 216.325 1.045 20 0 BDADMP CCC1(CN[C@@H]2C[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246423895 987795983 /nfs/dbraw/zinc/79/59/83/987795983.db2.gz RRVQYRKGWRXCMM-NEPJUHHUSA-N 2 1 225.380 1.106 20 0 BDADMP CCC1(C[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001246422806 987796472 /nfs/dbraw/zinc/79/64/72/987796472.db2.gz OCCUIYCBXBABDT-GFCCVEGCSA-N 3 1 225.380 1.108 20 0 BDADMP Cc1cccc([C@@H](CO)[NH2+]C2CC[NH2+]CC2)c1 ZINC001246449409 987806327 /nfs/dbraw/zinc/80/63/27/987806327.db2.gz VGVWVSWSCXJHJA-CQSZACIVSA-N 2 1 234.343 1.370 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246451001 987809774 /nfs/dbraw/zinc/80/97/74/987809774.db2.gz SQBHSDDKZNLNMR-MQYQWHSLSA-N 3 1 239.407 1.482 20 0 BDADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2)cc1 ZINC001246486225 987843442 /nfs/dbraw/zinc/84/34/42/987843442.db2.gz DQEGZDGFXMEVRV-HIFRSBDPSA-N 2 1 247.386 1.077 20 0 BDADMP CCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246490179 987844225 /nfs/dbraw/zinc/84/42/25/987844225.db2.gz OUAHBDBTPRBJQK-OLZOCXBDSA-N 2 1 227.396 1.496 20 0 BDADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488270 987845065 /nfs/dbraw/zinc/84/50/65/987845065.db2.gz JKAZOKVKQJYOSY-CABCVRRESA-N 2 1 247.386 1.159 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488893 987845514 /nfs/dbraw/zinc/84/55/14/987845514.db2.gz MIRYBOYSZDBIOC-VXGBXAGGSA-N 2 1 213.369 1.106 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cncc(F)c1 ZINC001246486801 987845594 /nfs/dbraw/zinc/84/55/94/987845594.db2.gz FGJIIZNVWNJUHR-SECBINFHSA-N 2 1 223.295 1.623 20 0 BDADMP C[NH2+]CC[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246493310 987846772 /nfs/dbraw/zinc/84/67/72/987846772.db2.gz YAVIZLIYSZQXKC-GHMZBOCLSA-N 3 1 249.349 1.209 20 0 BDADMP CCCCC(CCCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246492305 987848024 /nfs/dbraw/zinc/84/80/24/987848024.db2.gz VCYYNJZGFKZUKN-AWEZNQCLSA-N 2 1 241.423 1.886 20 0 BDADMP NC12CC([NH2+]C3CCC4(CC[NH2+]CC4)CC3)(C1)C2 ZINC001246501124 987855651 /nfs/dbraw/zinc/85/56/51/987855651.db2.gz KWRZFRAUUUUCEN-UHFFFAOYSA-N 2 1 249.402 1.522 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246503004 987856712 /nfs/dbraw/zinc/85/67/12/987856712.db2.gz JCCVVAMPUAYSRL-ZDUSSCGKSA-N 3 1 239.407 1.482 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246516763 987862331 /nfs/dbraw/zinc/86/23/31/987862331.db2.gz UGHBXGAERSXSMP-WUHRBBMRSA-N 2 1 226.364 1.674 20 0 BDADMP C1CC([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2C[NH2+]C2)C1 ZINC001246519347 987865314 /nfs/dbraw/zinc/86/53/14/987865314.db2.gz RYSRSJLCFOBQIO-IZGVIRRGSA-N 3 1 249.402 1.247 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](NC2CC[NH2+]CC2)[C@H](C)C1 ZINC001246516458 987866639 /nfs/dbraw/zinc/86/66/39/987866639.db2.gz UCQHFWWUUMKUKF-TZMCWYRMSA-N 2 1 239.407 1.447 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@H](C)C1 ZINC001246516458 987866642 /nfs/dbraw/zinc/86/66/42/987866642.db2.gz UCQHFWWUUMKUKF-TZMCWYRMSA-N 3 1 239.407 1.447 20 0 BDADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@H](C)C1 ZINC001246516458 987866645 /nfs/dbraw/zinc/86/66/45/987866645.db2.gz UCQHFWWUUMKUKF-TZMCWYRMSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCC3(COC3)CC2)CC[NH2+]1 ZINC001246522941 987871907 /nfs/dbraw/zinc/87/19/07/987871907.db2.gz KGHOVIQDHPKSCY-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246526402 987879514 /nfs/dbraw/zinc/87/95/14/987879514.db2.gz BLGNPDQRYCWQNX-YATPEIPISA-N 2 1 210.321 1.120 20 0 BDADMP CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246528904 987882076 /nfs/dbraw/zinc/88/20/76/987882076.db2.gz IUEVLJSWFNKPMZ-AAEUAGOBSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246528904 987882081 /nfs/dbraw/zinc/88/20/81/987882081.db2.gz IUEVLJSWFNKPMZ-AAEUAGOBSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CC[NH2+]1 ZINC001246528303 987882332 /nfs/dbraw/zinc/88/23/32/987882332.db2.gz VUJPJYMZGFDCPT-GHMZBOCLSA-N 3 1 222.336 1.087 20 0 BDADMP CCC[N@@H+](CCOC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246530922 987885497 /nfs/dbraw/zinc/88/54/97/987885497.db2.gz QKQLHFKBUFGZPQ-NEPJUHHUSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246530597 987887061 /nfs/dbraw/zinc/88/70/61/987887061.db2.gz NERGKGVIUXQZEB-IHRRRGAJSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246530597 987887064 /nfs/dbraw/zinc/88/70/64/987887064.db2.gz NERGKGVIUXQZEB-IHRRRGAJSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246530597 987887066 /nfs/dbraw/zinc/88/70/66/987887066.db2.gz NERGKGVIUXQZEB-IHRRRGAJSA-N 2 1 237.391 1.332 20 0 BDADMP C[N@@H+](CCN)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246529952 987887363 /nfs/dbraw/zinc/88/73/63/987887363.db2.gz VGXAKQZTVJNWPV-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP CN(CC[NH3+])C1CCC2(CC[NH2+]CC2)CC1 ZINC001246529952 987887364 /nfs/dbraw/zinc/88/73/64/987887364.db2.gz VGXAKQZTVJNWPV-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246532583 987889949 /nfs/dbraw/zinc/88/99/49/987889949.db2.gz WXGCMHZESMLCNS-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246532583 987889952 /nfs/dbraw/zinc/88/99/52/987889952.db2.gz WXGCMHZESMLCNS-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@@H]1CCSC1 ZINC001246536679 987894455 /nfs/dbraw/zinc/89/44/55/987894455.db2.gz BHJGFLHLQHJCMU-LPEHRKFASA-N 2 1 200.351 1.304 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1CCSC1 ZINC001246536679 987894458 /nfs/dbraw/zinc/89/44/58/987894458.db2.gz BHJGFLHLQHJCMU-LPEHRKFASA-N 2 1 200.351 1.304 20 0 BDADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246539144 987899198 /nfs/dbraw/zinc/89/91/98/987899198.db2.gz AZSKVKPSTMARBQ-TZMCWYRMSA-N 2 1 240.391 1.741 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246539732 987900887 /nfs/dbraw/zinc/90/08/87/987900887.db2.gz IPGKWJORBCEYEO-ZFDZMSFRSA-N 3 1 225.380 1.044 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001246543807 987912641 /nfs/dbraw/zinc/91/26/41/987912641.db2.gz OBNWRYLMWJVUKR-RIEIUKCASA-N 2 1 210.321 1.118 20 0 BDADMP CSCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246547601 987928190 /nfs/dbraw/zinc/92/81/90/987928190.db2.gz FCOONWXPJUDJBP-IVZWLZJFSA-N 2 1 202.367 1.550 20 0 BDADMP CCSC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246547735 987930039 /nfs/dbraw/zinc/93/00/39/987930039.db2.gz MXCCFOHKHKJQSS-HBNTYKKESA-N 2 1 216.394 1.655 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548055 987936567 /nfs/dbraw/zinc/93/65/67/987936567.db2.gz FGPPGNMBUGNAQT-MGPQQGTHSA-N 3 1 239.407 1.720 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548055 987936574 /nfs/dbraw/zinc/93/65/74/987936574.db2.gz FGPPGNMBUGNAQT-MGPQQGTHSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246549504 987937692 /nfs/dbraw/zinc/93/76/92/987937692.db2.gz LBWARYWIOGPWNI-AAVRWANBSA-N 2 1 237.391 1.330 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246551676 987949776 /nfs/dbraw/zinc/94/97/76/987949776.db2.gz MGGYNZWASWFAOF-RUXDESIVSA-N 3 1 239.407 1.720 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246552269 987951740 /nfs/dbraw/zinc/95/17/40/987951740.db2.gz UCFHMUDHFZYGJG-RNJOBUHISA-N 2 1 226.339 1.938 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246553442 987959991 /nfs/dbraw/zinc/95/99/91/987959991.db2.gz SFTVROFWFAIXRX-CHWSQXEVSA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246553442 987960001 /nfs/dbraw/zinc/96/00/01/987960001.db2.gz SFTVROFWFAIXRX-CHWSQXEVSA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246553442 987960013 /nfs/dbraw/zinc/96/00/13/987960013.db2.gz SFTVROFWFAIXRX-CHWSQXEVSA-N 2 1 225.380 1.284 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553457 987962928 /nfs/dbraw/zinc/96/29/28/987962928.db2.gz SJPZZPIPAWNCTD-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2)CC[C@H]1C[NH3+] ZINC001246555714 987970996 /nfs/dbraw/zinc/97/09/96/987970996.db2.gz FUARHRIWEPLCCR-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(C)nc1 ZINC001118020461 987987654 /nfs/dbraw/zinc/98/76/54/987987654.db2.gz WRQIYTROIAMFBW-JTQLQIEISA-N 2 1 207.321 1.478 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC001246566054 988026383 /nfs/dbraw/zinc/02/63/83/988026383.db2.gz HDCKNAXGDOTXMR-IJLUTSLNSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC001246566054 988026402 /nfs/dbraw/zinc/02/64/02/988026402.db2.gz HDCKNAXGDOTXMR-IJLUTSLNSA-N 2 1 226.364 1.613 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569500 988041453 /nfs/dbraw/zinc/04/14/53/988041453.db2.gz VHDNJFSJFMOHIO-MGPQQGTHSA-N 2 1 241.423 1.776 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246569500 988041467 /nfs/dbraw/zinc/04/14/67/988041467.db2.gz VHDNJFSJFMOHIO-MGPQQGTHSA-N 2 1 241.423 1.776 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246569500 988041480 /nfs/dbraw/zinc/04/14/80/988041480.db2.gz VHDNJFSJFMOHIO-MGPQQGTHSA-N 2 1 241.423 1.776 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569500 988041490 /nfs/dbraw/zinc/04/14/90/988041490.db2.gz VHDNJFSJFMOHIO-MGPQQGTHSA-N 2 1 241.423 1.776 20 0 BDADMP COC(=O)C[N@@H+](CC(C)C)CC1CC[NH2+]CC1 ZINC001118179599 988074640 /nfs/dbraw/zinc/07/46/40/988074640.db2.gz ZMDSDKLPODAPOS-UHFFFAOYSA-N 2 1 242.363 1.117 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578790 988100544 /nfs/dbraw/zinc/10/05/44/988100544.db2.gz CDRDBMXQOIDGNI-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578790 988100547 /nfs/dbraw/zinc/10/05/47/988100547.db2.gz CDRDBMXQOIDGNI-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246578984 988103230 /nfs/dbraw/zinc/10/32/30/988103230.db2.gz XDXRMDHLEFXSKA-UTUOFQBUSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246578984 988103247 /nfs/dbraw/zinc/10/32/47/988103247.db2.gz XDXRMDHLEFXSKA-UTUOFQBUSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246581078 988110518 /nfs/dbraw/zinc/11/05/18/988110518.db2.gz XQYLRRORUJOBMW-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP CCCCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582407 988111620 /nfs/dbraw/zinc/11/16/20/988111620.db2.gz XQTIKJSSXCLNDE-WOPDTQHZSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246584254 988130711 /nfs/dbraw/zinc/13/07/11/988130711.db2.gz IQKRQGPQRFMNAX-KXNHARMFSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246584254 988130717 /nfs/dbraw/zinc/13/07/17/988130717.db2.gz IQKRQGPQRFMNAX-KXNHARMFSA-N 2 1 214.328 1.936 20 0 BDADMP CCCCC[C@@H](CC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246585291 988130787 /nfs/dbraw/zinc/13/07/87/988130787.db2.gz NHCKIKKIRRWEGH-YNEHKIRRSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586171 988131186 /nfs/dbraw/zinc/13/11/86/988131186.db2.gz RGSBJDUSWQZTGG-VOAKCMCISA-N 2 1 240.391 1.453 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587515 988144855 /nfs/dbraw/zinc/14/48/55/988144855.db2.gz GWUUDKKXUVPAFB-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC(C)(C)C[C@]2(C)CO)CC[NH2+]1 ZINC001246588099 988156899 /nfs/dbraw/zinc/15/68/99/988156899.db2.gz JHEFWSRSBLQCKY-MBNYWOFBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246589853 988165755 /nfs/dbraw/zinc/16/57/55/988165755.db2.gz GZOAJSFRWIWDHP-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@](C)(O)C2)CC[NH2+]1 ZINC001246593018 988175886 /nfs/dbraw/zinc/17/58/86/988175886.db2.gz RJPDQIQJFHSFCG-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246593307 988177086 /nfs/dbraw/zinc/17/70/86/988177086.db2.gz RZEMEXWOQOHHFO-NDBYEHHHSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246593307 988177096 /nfs/dbraw/zinc/17/70/96/988177096.db2.gz RZEMEXWOQOHHFO-NDBYEHHHSA-N 3 1 225.380 1.186 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCSC2)CC[C@H]1F ZINC001246596070 988196722 /nfs/dbraw/zinc/19/67/22/988196722.db2.gz YTBXEJDAXWDAJD-HBNTYKKESA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCSC2)CC[C@H]1F ZINC001246596070 988196743 /nfs/dbraw/zinc/19/67/43/988196743.db2.gz YTBXEJDAXWDAJD-HBNTYKKESA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCSC2)CC[C@@H]1F ZINC001246596071 988200563 /nfs/dbraw/zinc/20/05/63/988200563.db2.gz YTBXEJDAXWDAJD-OUAUKWLOSA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCSC2)CC[C@@H]1F ZINC001246596071 988200575 /nfs/dbraw/zinc/20/05/75/988200575.db2.gz YTBXEJDAXWDAJD-OUAUKWLOSA-N 2 1 232.368 1.643 20 0 BDADMP C1C[C@H]2CC([N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)C[C@@H]1[NH2+]2 ZINC001246599224 988204690 /nfs/dbraw/zinc/20/46/90/988204690.db2.gz BGNJSUVJXKKYGT-IZGVIRRGSA-N 3 1 249.402 1.345 20 0 BDADMP C1C[C@H]2CC([N@H+]3CC[C@]4(C3)CCC[NH2+]C4)C[C@@H]1[NH2+]2 ZINC001246599224 988204706 /nfs/dbraw/zinc/20/47/06/988204706.db2.gz BGNJSUVJXKKYGT-IZGVIRRGSA-N 3 1 249.402 1.345 20 0 BDADMP COc1cccc(C[C@H](C)[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001246600432 988204873 /nfs/dbraw/zinc/20/48/73/988204873.db2.gz SMULDLLGCHEOPH-LBPRGKRZSA-N 2 1 248.370 1.907 20 0 BDADMP C[C@@H](CC1CC1)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599756 988205195 /nfs/dbraw/zinc/20/51/95/988205195.db2.gz DJKJEIXAFZIGJR-LBPRGKRZSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619609 988269724 /nfs/dbraw/zinc/26/97/24/988269724.db2.gz SKWXPOJQZYXCIP-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630825 988301634 /nfs/dbraw/zinc/30/16/34/988301634.db2.gz PJNQXTAWTPSUDG-FQUUOJAGSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630825 988301651 /nfs/dbraw/zinc/30/16/51/988301651.db2.gz PJNQXTAWTPSUDG-FQUUOJAGSA-N 3 1 237.391 1.058 20 0 BDADMP CC1(C)[C@@H]2C[C@@H](N3CC[NH2+]C[C@]34CC[NH2+]C4)C[C@@H]21 ZINC001246629523 988307812 /nfs/dbraw/zinc/30/78/12/988307812.db2.gz OLIOGWKWVFZINO-GUIRCDHDSA-N 2 1 249.402 1.058 20 0 BDADMP O=C1C[C@H]2C[C@H]([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246635274 988329573 /nfs/dbraw/zinc/32/95/73/988329573.db2.gz JZEZHNABPFZTOE-CAFXUDQZSA-N 2 1 234.343 1.180 20 0 BDADMP O=C1C[C@H]2C[C@H]([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246635274 988329583 /nfs/dbraw/zinc/32/95/83/988329583.db2.gz JZEZHNABPFZTOE-CAFXUDQZSA-N 2 1 234.343 1.180 20 0 BDADMP CC[C@@H]1CC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638305 988336493 /nfs/dbraw/zinc/33/64/93/988336493.db2.gz RTCRUKWZFLVFPA-MCIONIFRSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638310 988340573 /nfs/dbraw/zinc/34/05/73/988340573.db2.gz RTCRUKWZFLVFPA-RDBSUJKOSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246644243 988353135 /nfs/dbraw/zinc/35/31/35/988353135.db2.gz RHLWSDRQMQGRMN-MGPQQGTHSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246661746 988400538 /nfs/dbraw/zinc/40/05/38/988400538.db2.gz HWWDQJPFDIZDQZ-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704418 988449427 /nfs/dbraw/zinc/44/94/27/988449427.db2.gz VKRNDHKLQPBMHG-MQYQWHSLSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704418 988449430 /nfs/dbraw/zinc/44/94/30/988449430.db2.gz VKRNDHKLQPBMHG-MQYQWHSLSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704418 988449435 /nfs/dbraw/zinc/44/94/35/988449435.db2.gz VKRNDHKLQPBMHG-MQYQWHSLSA-N 3 1 237.391 1.010 20 0 BDADMP c1cncc(O[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246785208 988461139 /nfs/dbraw/zinc/46/11/39/988461139.db2.gz JTXOXSVNKPPPGR-CQSZACIVSA-N 2 1 247.342 1.287 20 0 BDADMP c1cncc(O[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246785208 988461151 /nfs/dbraw/zinc/46/11/51/988461151.db2.gz JTXOXSVNKPPPGR-CQSZACIVSA-N 2 1 247.342 1.287 20 0 BDADMP CCCO[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246780609 988462028 /nfs/dbraw/zinc/46/20/28/988462028.db2.gz MWEYIHZUGWXTFW-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP CCCO[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246780611 988463998 /nfs/dbraw/zinc/46/39/98/988463998.db2.gz MWEYIHZUGWXTFW-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP c1ccc(O[C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246784633 988464700 /nfs/dbraw/zinc/46/47/00/988464700.db2.gz HFRCRPXMNNFREQ-HNNXBMFYSA-N 2 1 246.354 1.892 20 0 BDADMP COCC[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC001246788594 988468793 /nfs/dbraw/zinc/46/87/93/988468793.db2.gz UKNVZYIHQXCSRK-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2cnccn2)CC[NH2+]1 ZINC001246798582 988478296 /nfs/dbraw/zinc/47/82/96/988478296.db2.gz VLZSUMCCWCXTLO-BZPMIXESSA-N 2 1 246.358 1.754 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2cnccn2)CC[NH2+]1 ZINC001246798582 988478301 /nfs/dbraw/zinc/47/83/01/988478301.db2.gz VLZSUMCCWCXTLO-BZPMIXESSA-N 2 1 246.358 1.754 20 0 BDADMP c1ccc(C[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)nc1 ZINC001246802093 988483587 /nfs/dbraw/zinc/48/35/87/988483587.db2.gz JFVTVZAIHPCIFO-HNNXBMFYSA-N 2 1 245.370 1.841 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246810494 988491377 /nfs/dbraw/zinc/49/13/77/988491377.db2.gz NRUJNTYWPQJYMT-FRRDWIJNSA-N 2 1 237.391 1.201 20 0 BDADMP CC(=O)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246817790 988501212 /nfs/dbraw/zinc/50/12/12/988501212.db2.gz UUGAXMKVBWUINM-UHFFFAOYSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1CC[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)C[NH2+]1 ZINC001246830984 988520135 /nfs/dbraw/zinc/52/01/35/988520135.db2.gz JMZQMECMLZZUIJ-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP CC[C@H]1CCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845832 988555179 /nfs/dbraw/zinc/55/51/79/988555179.db2.gz MGABMFKQSOSDOM-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP CC1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246851737 988568463 /nfs/dbraw/zinc/56/84/63/988568463.db2.gz HCELYAANEFMLBT-MVKMKZAISA-N 2 1 208.349 1.988 20 0 BDADMP CC1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246851736 988572503 /nfs/dbraw/zinc/57/25/03/988572503.db2.gz HCELYAANEFMLBT-KPFVRQRISA-N 2 1 208.349 1.988 20 0 BDADMP C[C@H](CC1CC1)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858865 988585083 /nfs/dbraw/zinc/58/50/83/988585083.db2.gz IWGIPQLVOBDQAD-MDFVCYEDSA-N 2 1 224.348 1.081 20 0 BDADMP CC[C@H]1CC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861093 988602653 /nfs/dbraw/zinc/60/26/53/988602653.db2.gz QKNUFLZNAUPLJE-UKIXVXPJSA-N 2 1 238.375 1.471 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC001246864164 988610608 /nfs/dbraw/zinc/61/06/08/988610608.db2.gz UOZZDIHPYSOAHC-UKRRQHHQSA-N 2 1 228.339 1.577 20 0 BDADMP CCCOC1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246866699 988616668 /nfs/dbraw/zinc/61/66/68/988616668.db2.gz GMBZKEFMKGOZBP-ABXWRUBCSA-N 2 1 238.375 1.757 20 0 BDADMP CCCOC1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246866699 988616691 /nfs/dbraw/zinc/61/66/91/988616691.db2.gz GMBZKEFMKGOZBP-ABXWRUBCSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC001246870069 988627402 /nfs/dbraw/zinc/62/74/02/988627402.db2.gz KCAWEELWIGTYDQ-QCNOEVLYSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC001246870069 988627406 /nfs/dbraw/zinc/62/74/06/988627406.db2.gz KCAWEELWIGTYDQ-QCNOEVLYSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC001246870066 988629165 /nfs/dbraw/zinc/62/91/65/988629165.db2.gz KCAWEELWIGTYDQ-IRCOFANPSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC001246870066 988629184 /nfs/dbraw/zinc/62/91/84/988629184.db2.gz KCAWEELWIGTYDQ-IRCOFANPSA-N 2 1 212.337 1.236 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246869543 988629403 /nfs/dbraw/zinc/62/94/03/988629403.db2.gz MHRXFFMFNJXBKT-HOSYDEDBSA-N 2 1 228.405 1.940 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246869543 988629423 /nfs/dbraw/zinc/62/94/23/988629423.db2.gz MHRXFFMFNJXBKT-HOSYDEDBSA-N 2 1 228.405 1.940 20 0 BDADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[NH+](C)CC3)CC[NH2+]1 ZINC001246871860 988637018 /nfs/dbraw/zinc/63/70/18/988637018.db2.gz NYKBDOUHIUFJAO-OLZOCXBDSA-N 2 1 237.391 1.155 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246887312 988654005 /nfs/dbraw/zinc/65/40/05/988654005.db2.gz LJVJYMMMKJAFPV-STQMWFEESA-N 2 1 237.391 1.201 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCc2cc(N)ccc2C1 ZINC001246890398 988660702 /nfs/dbraw/zinc/66/07/02/988660702.db2.gz ULTGNMNISWNIQY-NSHDSACASA-N 2 1 233.359 1.625 20 0 BDADMP CCC1(N)C[NH+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246896703 988670050 /nfs/dbraw/zinc/67/00/50/988670050.db2.gz ZHZUNELCTJOATB-QWHCGFSZSA-N 2 1 237.391 1.332 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCO)C[C@H](CC)[NH2+]1 ZINC001246915952 988702454 /nfs/dbraw/zinc/70/24/54/988702454.db2.gz ZJRLMPSCWPUVLY-ZSBIGDGJSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913783 988706347 /nfs/dbraw/zinc/70/63/47/988706347.db2.gz MTEVWCZHBGQPLJ-WCQYABFASA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913783 988706364 /nfs/dbraw/zinc/70/63/64/988706364.db2.gz MTEVWCZHBGQPLJ-WCQYABFASA-N 2 1 219.332 1.436 20 0 BDADMP C1C[C@H]2C[C@@H]([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246933173 988762600 /nfs/dbraw/zinc/76/26/00/988762600.db2.gz QVSJPJCLHRVHQX-OYQDBORRSA-N 3 1 249.402 1.201 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCc2c(N)cccc2C1 ZINC001246936723 988767374 /nfs/dbraw/zinc/76/73/74/988767374.db2.gz YJRUMFFSNIZFIX-LLVKDONJSA-N 2 1 233.359 1.625 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC001324288727 988781007 /nfs/dbraw/zinc/78/10/07/988781007.db2.gz ORDDQCVOUBFNQE-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@H+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980770 988809685 /nfs/dbraw/zinc/80/96/85/988809685.db2.gz SMYFBYCJTRUOMJ-IHRRRGAJSA-N 2 1 239.407 1.541 20 0 BDADMP CC[N@@H+]1C[C@H]2CN([C@@H]3CC[C@H](C)[NH2+]C3)C[C@H]2C1 ZINC001246979047 988811027 /nfs/dbraw/zinc/81/10/27/988811027.db2.gz LLRBQHMMXMGQQN-IGQOVBAYSA-N 2 1 237.391 1.010 20 0 BDADMP CO[C@@H]1C[N@H+]([C@H](C)CCCC(C)C)C[C@@H]1N ZINC001246984131 988815194 /nfs/dbraw/zinc/81/51/94/988815194.db2.gz YIJAWQFRJWFAAT-FRRDWIJNSA-N 2 1 228.380 1.859 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C[NH2+]1 ZINC001246987534 988819791 /nfs/dbraw/zinc/81/97/91/988819791.db2.gz HTUGCINDAXQUCR-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C[NH2+]1 ZINC001246987534 988819797 /nfs/dbraw/zinc/81/97/97/988819797.db2.gz HTUGCINDAXQUCR-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H](CC(C)C)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988538 988820188 /nfs/dbraw/zinc/82/01/88/988820188.db2.gz JTERAECWRUBTIA-RYUDHWBXSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988538 988820190 /nfs/dbraw/zinc/82/01/90/988820190.db2.gz JTERAECWRUBTIA-RYUDHWBXSA-N 2 1 226.364 1.471 20 0 BDADMP CC[N@H+]1CCN(C2CC[NH2+]CC2)C(C)(C)C1 ZINC001246994540 988828202 /nfs/dbraw/zinc/82/82/02/988828202.db2.gz PJHADTLECJAQKJ-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP COC(=O)[C@]1(C)CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000382 988832091 /nfs/dbraw/zinc/83/20/91/988832091.db2.gz ICXCBLVSZAKXHT-NQBHXWOUSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC[C@H]3[NH3+])CC2)CC[NH2+]1 ZINC001247004833 988835203 /nfs/dbraw/zinc/83/52/03/988835203.db2.gz VPPHCTYEXXAGJQ-JHJVBQTASA-N 3 1 237.391 1.330 20 0 BDADMP C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)OC1CC1 ZINC001119539586 989141586 /nfs/dbraw/zinc/14/15/86/989141586.db2.gz BEHWMWUAUPEUMZ-UHFFFAOYSA-N 2 1 238.375 1.631 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4n3CCC4)C[C@@H]2C1 ZINC001248824230 989184599 /nfs/dbraw/zinc/18/45/99/989184599.db2.gz DRTSYJJSDXMOHF-BETUJISGSA-N 2 1 245.370 1.428 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4n3CCC4)C[C@@H]2C1 ZINC001248824230 989184605 /nfs/dbraw/zinc/18/46/05/989184605.db2.gz DRTSYJJSDXMOHF-BETUJISGSA-N 2 1 245.370 1.428 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4n3CCC4)C[C@@H]2C1 ZINC001248824230 989184609 /nfs/dbraw/zinc/18/46/09/989184609.db2.gz DRTSYJJSDXMOHF-BETUJISGSA-N 2 1 245.370 1.428 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4n3CCC4)C[C@@H]2C1 ZINC001248824230 989184614 /nfs/dbraw/zinc/18/46/14/989184614.db2.gz DRTSYJJSDXMOHF-BETUJISGSA-N 2 1 245.370 1.428 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc(F)c(OC)c1 ZINC001325625217 989220487 /nfs/dbraw/zinc/22/04/87/989220487.db2.gz IZFUYVXSTAUQLG-UHFFFAOYSA-N 2 1 240.322 1.876 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(F)c(OC)c1 ZINC001325625217 989220499 /nfs/dbraw/zinc/22/04/99/989220499.db2.gz IZFUYVXSTAUQLG-UHFFFAOYSA-N 2 1 240.322 1.876 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1c[nH]nc1C ZINC001325743834 989247134 /nfs/dbraw/zinc/24/71/34/989247134.db2.gz QECFQTOGNGFXOF-RKDXNWHRSA-N 2 1 210.325 1.224 20 0 BDADMP CC(C)(C[NH3+])c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326487605 989581822 /nfs/dbraw/zinc/58/18/22/989581822.db2.gz UUQFWELNBWIHMI-JTQLQIEISA-N 2 1 246.314 1.354 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc[nH]3)C[C@H]2C1 ZINC001120072145 989587688 /nfs/dbraw/zinc/58/76/88/989587688.db2.gz RSUBSCMTIFAMAF-OUCADQQQSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]cn3)C[C@H]2C1 ZINC001120072145 989587694 /nfs/dbraw/zinc/58/76/94/989587694.db2.gz RSUBSCMTIFAMAF-OUCADQQQSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]cn3)C[C@H]2C1 ZINC001120072145 989587697 /nfs/dbraw/zinc/58/76/97/989587697.db2.gz RSUBSCMTIFAMAF-OUCADQQQSA-N 2 1 248.374 1.572 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC001326688534 989652102 /nfs/dbraw/zinc/65/21/02/989652102.db2.gz SOBVYCRYRQUVEM-SDDRHHMPSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1(O)CCC1 ZINC001120503570 989688846 /nfs/dbraw/zinc/68/88/46/989688846.db2.gz UHPYLKMIRRVRJB-UHFFFAOYSA-N 2 1 228.380 1.469 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC001120569578 989739741 /nfs/dbraw/zinc/73/97/41/989739741.db2.gz BYNJXMYVYAFRPT-GFCCVEGCSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258075784 990973322 /nfs/dbraw/zinc/97/33/22/990973322.db2.gz DYHRXTZTFKXNJG-OLZOCXBDSA-N 2 1 226.364 1.781 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258075784 990973331 /nfs/dbraw/zinc/97/33/31/990973331.db2.gz DYHRXTZTFKXNJG-OLZOCXBDSA-N 2 1 226.364 1.781 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](CCO)C2CC2)CC1 ZINC001308609496 991057010 /nfs/dbraw/zinc/05/70/10/991057010.db2.gz QEAQTRVOPIEKDN-UHFFFAOYSA-N 2 1 226.364 1.175 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@H+](CCN)CCO ZINC001258314308 991241116 /nfs/dbraw/zinc/24/11/16/991241116.db2.gz CLTZPONVYVSOKV-JTQLQIEISA-N 2 1 234.409 1.160 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@@H+](CCN)CCO ZINC001258314308 991241121 /nfs/dbraw/zinc/24/11/21/991241121.db2.gz CLTZPONVYVSOKV-JTQLQIEISA-N 2 1 234.409 1.160 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CCC(=O)OC ZINC001258346342 991271560 /nfs/dbraw/zinc/27/15/60/991271560.db2.gz BXKCOSMCJKDURY-LLVKDONJSA-N 2 1 230.352 1.389 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC1CC1 ZINC001258448651 991397062 /nfs/dbraw/zinc/39/70/62/991397062.db2.gz ONYDXAITWDIQEH-GXSJLCMTSA-N 2 1 228.336 1.045 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(C)nc3)C[C@H]2C1 ZINC001139933927 991427676 /nfs/dbraw/zinc/42/76/76/991427676.db2.gz YXBFJCVHYSVQHB-GASCZTMLSA-N 2 1 245.370 1.774 20 0 BDADMP CCOC(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001258477025 991450241 /nfs/dbraw/zinc/45/02/41/991450241.db2.gz YUSJAOQQWVGRAX-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(Cc3ccnnc3)C2)C1 ZINC001139985826 991464629 /nfs/dbraw/zinc/46/46/29/991464629.db2.gz ZHIVADKQUPXOET-ZDUSSCGKSA-N 2 1 232.331 1.004 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccco3)[C@@H]2C1 ZINC001560622891 991524884 /nfs/dbraw/zinc/52/48/84/991524884.db2.gz ODZRZFULIGGJPZ-CYZMBNFOSA-N 2 1 220.316 1.709 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccco3)[C@@H]2C1 ZINC001560622891 991524893 /nfs/dbraw/zinc/52/48/93/991524893.db2.gz ODZRZFULIGGJPZ-CYZMBNFOSA-N 2 1 220.316 1.709 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1cccnc1 ZINC001258613343 991537702 /nfs/dbraw/zinc/53/77/02/991537702.db2.gz OIFGSRRKHGCTQV-LLVKDONJSA-N 2 1 244.342 1.891 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC001258771414 991731503 /nfs/dbraw/zinc/73/15/03/991731503.db2.gz AEKVDOPVPRLULX-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CCC[NH+]1CCC([N@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC001258771414 991731514 /nfs/dbraw/zinc/73/15/14/991731514.db2.gz AEKVDOPVPRLULX-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@H](COC)C2)CC1 ZINC001258772723 991735926 /nfs/dbraw/zinc/73/59/26/991735926.db2.gz XTQATMCKYLURFV-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001258772511 991738203 /nfs/dbraw/zinc/73/82/03/991738203.db2.gz RAPZSDZQDDIDIS-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001258772511 991738213 /nfs/dbraw/zinc/73/82/13/991738213.db2.gz RAPZSDZQDDIDIS-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@](C)(O)C2)CC1 ZINC001258772599 991738794 /nfs/dbraw/zinc/73/87/94/991738794.db2.gz UQLBLILWKGCKJF-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc2ccccn12 ZINC001261370222 992279109 /nfs/dbraw/zinc/27/91/09/992279109.db2.gz CGAGZEWUMCKTQT-NSHDSACASA-N 2 1 232.331 1.422 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001262008497 992593357 /nfs/dbraw/zinc/59/33/57/992593357.db2.gz OOKAOYVHTSNLJH-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC001573655693 992667867 /nfs/dbraw/zinc/66/78/67/992667867.db2.gz XZPRRXMPZRVLTG-WOPDTQHZSA-N 2 1 212.337 1.001 20 0 BDADMP COCC1(C[NH2+][C@@H]2CCC[NH2+]C2)CCCCC1 ZINC001573974154 992784143 /nfs/dbraw/zinc/78/41/43/992784143.db2.gz IEYOZLXSQRZKGQ-CYBMUJFWSA-N 2 1 240.391 1.925 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC001262487786 992892916 /nfs/dbraw/zinc/89/29/16/992892916.db2.gz FZUOTMYAFDSYPD-NSHDSACASA-N 2 1 244.342 1.734 20 0 BDADMP CC[C@H](O)C[NH2+][C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001262576205 992932517 /nfs/dbraw/zinc/93/25/17/992932517.db2.gz JVJCZMPYKZCVCQ-DCAQKATOSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)(C[NH3+])C[N@H+]1CCc2cc(O)ccc2C1 ZINC001575315427 993009352 /nfs/dbraw/zinc/00/93/52/993009352.db2.gz PCZORGVFJKBMQM-UHFFFAOYSA-N 2 1 234.343 1.735 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575317522 993011987 /nfs/dbraw/zinc/01/19/87/993011987.db2.gz FRSORHVFOUHDHA-PREPNJAASA-N 2 1 224.348 1.127 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cc[nH+]cc1 ZINC001262686404 993027992 /nfs/dbraw/zinc/02/79/92/993027992.db2.gz IVPZJJQCKCSVPF-GWCFXTLKSA-N 2 1 217.316 1.398 20 0 BDADMP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H](CO)C(C)C ZINC001575431028 993040247 /nfs/dbraw/zinc/04/02/47/993040247.db2.gz CBYGAZSVJKRAMB-MELADBBJSA-N 2 1 242.407 1.617 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC001575473635 993054006 /nfs/dbraw/zinc/05/40/06/993054006.db2.gz VXZVVSBKMRWQTP-NWDGAFQWSA-N 2 1 216.369 1.356 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CS1 ZINC001575499248 993060851 /nfs/dbraw/zinc/06/08/51/993060851.db2.gz QTUGNKBFMDMPJG-CMOBGSAGSA-N 2 1 240.416 1.858 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575689580 993093873 /nfs/dbraw/zinc/09/38/73/993093873.db2.gz RLJPEBRGQHUCPZ-QCXCNERSSA-N 3 1 225.380 1.185 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575689580 993093879 /nfs/dbraw/zinc/09/38/79/993093879.db2.gz RLJPEBRGQHUCPZ-QCXCNERSSA-N 3 1 225.380 1.185 20 0 BDADMP C[C@H](CCn1cccn1)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575971470 993146012 /nfs/dbraw/zinc/14/60/12/993146012.db2.gz GAUDDOBPZOMGSY-NDBYEHHHSA-N 2 1 234.347 1.144 20 0 BDADMP C[C@H](Cc1cccc(F)c1)[NH2+]CC1([NH3+])CC1 ZINC001576053013 993167275 /nfs/dbraw/zinc/16/72/75/993167275.db2.gz RASNXAUUWNAXOJ-SNVBAGLBSA-N 2 1 222.307 1.838 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC001576102758 993180998 /nfs/dbraw/zinc/18/09/98/993180998.db2.gz HMMYSQRTSTWNGA-HTQZYQBOSA-N 2 1 220.276 1.048 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001576157158 993196726 /nfs/dbraw/zinc/19/67/26/993196726.db2.gz OFJAZHXMSIDRAY-VXGBXAGGSA-N 2 1 225.380 1.282 20 0 BDADMP CC(C)N1CC(N[C@H]2CCC[N@@H+](C)CC2)C1 ZINC000379228582 993232938 /nfs/dbraw/zinc/23/29/38/993232938.db2.gz YCEZQBIENSGRNM-LBPRGKRZSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC1(F)F ZINC001576249925 993233732 /nfs/dbraw/zinc/23/37/32/993233732.db2.gz BSVPPKDZNQPNBB-BZNPZCIMSA-N 2 1 204.264 1.228 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)[C@H]1COC(C)(C)O1 ZINC001576253176 993234265 /nfs/dbraw/zinc/23/42/65/993234265.db2.gz VHQXQCVWZJWWEH-WRWGMCAJSA-N 2 1 242.363 1.257 20 0 BDADMP C[C@@H](O)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576268736 993239919 /nfs/dbraw/zinc/23/99/19/993239919.db2.gz FPHHUUZGAJFFCB-FVCCEPFGSA-N 2 1 226.364 1.077 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000379581625 993258409 /nfs/dbraw/zinc/25/84/09/993258409.db2.gz KWURKAQCAJXSRR-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@]1(CCCO)CCC[N@H+]1CCC[NH2+]C1CC1 ZINC001576500949 993321490 /nfs/dbraw/zinc/32/14/90/993321490.db2.gz ONFDWGTZUIVRSU-AWEZNQCLSA-N 2 1 240.391 1.756 20 0 BDADMP CC1(C)OC[C@H](CC[N@@H+]2CCCC[C@H]2C[NH3+])O1 ZINC001576495826 993322439 /nfs/dbraw/zinc/32/24/39/993322439.db2.gz WJJHOQVTAXMPKS-RYUDHWBXSA-N 2 1 242.363 1.341 20 0 BDADMP CC1(C)OC[C@H](CC[N@H+]2CCCC[C@H]2C[NH3+])O1 ZINC001576495826 993322449 /nfs/dbraw/zinc/32/24/49/993322449.db2.gz WJJHOQVTAXMPKS-RYUDHWBXSA-N 2 1 242.363 1.341 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+]C2(c3ncon3)CC2)CC[NH2+]1 ZINC001576597813 993360667 /nfs/dbraw/zinc/36/06/67/993360667.db2.gz IPDSWJUSDHOEIG-ZJUUUORDSA-N 2 1 236.319 1.036 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](CC2=NOCC2)C[C@@H]1C[NH3+] ZINC001576595469 993361491 /nfs/dbraw/zinc/36/14/91/993361491.db2.gz IAKBJMJXIOGXAO-MXWKQRLJSA-N 2 1 225.336 1.068 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2=NOCC2)C[C@@H]1C[NH3+] ZINC001576595469 993361493 /nfs/dbraw/zinc/36/14/93/993361493.db2.gz IAKBJMJXIOGXAO-MXWKQRLJSA-N 2 1 225.336 1.068 20 0 BDADMP C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576596866 993362099 /nfs/dbraw/zinc/36/20/99/993362099.db2.gz BEFKNWCDHXYQAJ-YVECIDJPSA-N 2 1 226.364 1.064 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)CC1CCC1 ZINC000381034163 993362589 /nfs/dbraw/zinc/36/25/89/993362589.db2.gz DWPNMDLAXPXXPY-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000381243531 993381865 /nfs/dbraw/zinc/38/18/65/993381865.db2.gz MPQBUQRLVBTQPD-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1CC[C@@](CO)([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576650835 993384628 /nfs/dbraw/zinc/38/46/28/993384628.db2.gz NOKWBISHSBNCDO-YIYPIFLZSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1CC[C@@](CO)([N@@H+](C)CCCCCC[NH3+])C1 ZINC001576652796 993384742 /nfs/dbraw/zinc/38/47/42/993384742.db2.gz YUKFBHWIVMAPMJ-ZIAGYGMSSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@@H]1CCC[N@@H+]1CCNCc1cccc(C[NH3+])c1 ZINC001576712562 993399841 /nfs/dbraw/zinc/39/98/41/993399841.db2.gz CNIYNJBITWGJLM-CYBMUJFWSA-N 2 1 247.386 1.719 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCNCc1cccc(C[NH3+])c1 ZINC001576712562 993399849 /nfs/dbraw/zinc/39/98/49/993399849.db2.gz CNIYNJBITWGJLM-CYBMUJFWSA-N 2 1 247.386 1.719 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC[C@H]1CCC[N@H+]1C ZINC001576750092 993415100 /nfs/dbraw/zinc/41/51/00/993415100.db2.gz VGOAHIBOAQYHEQ-XQHKEYJVSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@]1(C)CO ZINC001576800576 993423225 /nfs/dbraw/zinc/42/32/25/993423225.db2.gz KHOQLFUDCWQQGV-MGPQQGTHSA-N 2 1 240.391 1.326 20 0 BDADMP C[C@@H]1C[N@H+](CCC2CC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576800788 993423640 /nfs/dbraw/zinc/42/36/40/993423640.db2.gz MABBRWPSCHLNSL-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576800788 993423646 /nfs/dbraw/zinc/42/36/46/993423646.db2.gz MABBRWPSCHLNSL-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799780 993424890 /nfs/dbraw/zinc/42/48/90/993424890.db2.gz CNZPXQFCLVDGIT-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001576806512 993428878 /nfs/dbraw/zinc/42/88/78/993428878.db2.gz GMHQTLMTTJWVMS-XWUBHJNHSA-N 2 1 238.375 1.341 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001576806512 993428880 /nfs/dbraw/zinc/42/88/80/993428880.db2.gz GMHQTLMTTJWVMS-XWUBHJNHSA-N 2 1 238.375 1.341 20 0 BDADMP C[C@@H]1C[N@@H+](CC23CC(C)(C2)OC3)CC[C@H]1[NH3+] ZINC001576801685 993429065 /nfs/dbraw/zinc/42/90/65/993429065.db2.gz SWVNYJYLQZXZOL-OKZRHMCRSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@]1(C)CO ZINC001576807429 993429130 /nfs/dbraw/zinc/42/91/30/993429130.db2.gz PWPAVUUGMNMRNC-RVMXOQNASA-N 2 1 226.364 1.064 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001576849664 993431319 /nfs/dbraw/zinc/43/13/19/993431319.db2.gz HQQGPUUYMUUGFT-WWBIDZNWSA-N 2 1 208.349 1.619 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC001576860781 993439693 /nfs/dbraw/zinc/43/96/93/993439693.db2.gz LTTOOGMZZDEVGD-KXUCPTDWSA-N 2 1 214.378 1.326 20 0 BDADMP Cc1c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cnn1C ZINC000382511222 993462129 /nfs/dbraw/zinc/46/21/29/993462129.db2.gz YXMLSPKRKBSANE-LBPRGKRZSA-N 2 1 236.363 1.289 20 0 BDADMP CC[C@H](C)[C@@H](C[N@H+](C)C1(C[NH3+])CCC1)OC ZINC001576960367 993466854 /nfs/dbraw/zinc/46/68/54/993466854.db2.gz DSABLPTUQOXCSN-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@H](C)[C@@H](C[N@@H+](C)C1(C[NH3+])CCC1)OC ZINC001576960367 993466858 /nfs/dbraw/zinc/46/68/58/993466858.db2.gz DSABLPTUQOXCSN-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@H](C)[C@@H](C[N@@H+](C)CCC[NH2+]C)OC ZINC001576960480 993468715 /nfs/dbraw/zinc/46/87/15/993468715.db2.gz DVXJZADGRIWVGR-NWDGAFQWSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC001576967714 993474007 /nfs/dbraw/zinc/47/40/07/993474007.db2.gz WHLAJIBDDNPSRV-FIQHERPVSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC001576967714 993474010 /nfs/dbraw/zinc/47/40/10/993474010.db2.gz WHLAJIBDDNPSRV-FIQHERPVSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)C[C@H]([NH2+]C1CC(C[NH3+])C1)C(=O)OC ZINC001576985408 993481865 /nfs/dbraw/zinc/48/18/65/993481865.db2.gz VPHFFQZPUVKXIX-XKGSQUFQSA-N 2 1 242.363 1.291 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1C ZINC000384000677 993534469 /nfs/dbraw/zinc/53/44/69/993534469.db2.gz OLLAPCJVVJXYOE-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@]1(C)C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC001577208864 993548413 /nfs/dbraw/zinc/54/84/13/993548413.db2.gz NOBOUIAPQOVIKP-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CCC1([NH3+])CC[NH+](C2CC(C(=O)OC)C2)CC1 ZINC001577230705 993552109 /nfs/dbraw/zinc/55/21/09/993552109.db2.gz XGERWTVPFKZHEM-UHFFFAOYSA-N 2 1 240.347 1.141 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+]CC[NH2+]C2CC2)CCO1 ZINC001577240729 993554883 /nfs/dbraw/zinc/55/48/83/993554883.db2.gz LQGRXGWRSFKJRG-WCQYABFASA-N 2 1 226.364 1.533 20 0 BDADMP CC[C@H]1[C@H](CO)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577240401 993555392 /nfs/dbraw/zinc/55/53/92/993555392.db2.gz GJAXRDSFZYSUFL-RVMXOQNASA-N 2 1 226.364 1.207 20 0 BDADMP CC[C@H]1[C@@H](CO)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577240400 993557045 /nfs/dbraw/zinc/55/70/45/993557045.db2.gz GJAXRDSFZYSUFL-LOWDOPEQSA-N 2 1 226.364 1.207 20 0 BDADMP CC[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]CC[C@]2(C)O)[C@H]1C ZINC001577262966 993570558 /nfs/dbraw/zinc/57/05/58/993570558.db2.gz NHFJWVRDXVHQLP-LOWDOPEQSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1CC[N@H+]([C@@H]2C[NH2+]CC[C@]2(C)O)[C@H]1C ZINC001577262966 993570572 /nfs/dbraw/zinc/57/05/72/993570572.db2.gz NHFJWVRDXVHQLP-LOWDOPEQSA-N 2 1 226.364 1.220 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001577328614 993599856 /nfs/dbraw/zinc/59/98/56/993599856.db2.gz UGEBTIWZEXQEMH-YPMHNXCESA-N 2 1 241.379 1.057 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC001577368920 993619231 /nfs/dbraw/zinc/61/92/31/993619231.db2.gz LTHJJMCRQMQVBL-RYUDHWBXSA-N 2 1 214.353 1.351 20 0 BDADMP CCCC[C@H](C[NH3+])NC(=O)C[N@@H+](C)C1CCC1 ZINC001577390795 993637909 /nfs/dbraw/zinc/63/79/09/993637909.db2.gz XIOSOYCAZNHEMU-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC001577387950 993638258 /nfs/dbraw/zinc/63/82/58/993638258.db2.gz CNOHTNBKUHXDFD-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577447497 993661580 /nfs/dbraw/zinc/66/15/80/993661580.db2.gz HGVYGRULECMRQY-RJZJGCCBSA-N 3 1 239.407 1.576 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577447497 993661588 /nfs/dbraw/zinc/66/15/88/993661588.db2.gz HGVYGRULECMRQY-RJZJGCCBSA-N 3 1 239.407 1.576 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH2+]CC ZINC001577444548 993662656 /nfs/dbraw/zinc/66/26/56/993662656.db2.gz AKGBIQRHQHKFFU-NEPJUHHUSA-N 2 1 243.395 1.221 20 0 BDADMP CCCSC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001577596740 993691820 /nfs/dbraw/zinc/69/18/20/993691820.db2.gz GOYNIXWYRVBUHK-AXFHLTTASA-N 2 1 216.394 1.858 20 0 BDADMP CCCOC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001577574870 993691989 /nfs/dbraw/zinc/69/19/89/993691989.db2.gz WVXWCNZZFBYKRM-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(C[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC001577654716 993706712 /nfs/dbraw/zinc/70/67/12/993706712.db2.gz GUIVDPCXFVXWEO-QWRGUYRKSA-N 2 1 247.333 1.010 20 0 BDADMP CC[N@@H+](CC(=O)NCC([NH3+])(CC)CC)C1CC1 ZINC001577663434 993713319 /nfs/dbraw/zinc/71/33/19/993713319.db2.gz SKNKPLRTHOGFFH-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP c1ccc(COCCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000390077790 993776897 /nfs/dbraw/zinc/77/68/97/993776897.db2.gz YADVMACUZWLALL-OAHLLOKOSA-N 2 1 248.370 1.935 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](CC)CC ZINC000390599917 993798773 /nfs/dbraw/zinc/79/87/73/993798773.db2.gz VQKCXHLYTQBIQH-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000702665519 994031871 /nfs/dbraw/zinc/03/18/71/994031871.db2.gz YRGAJGOXYZUFFC-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)C(C)C)[NH+](C)C ZINC001282413816 994231547 /nfs/dbraw/zinc/23/15/47/994231547.db2.gz TWHRGGUKBUPQQD-NWDGAFQWSA-N 2 1 243.395 1.172 20 0 BDADMP C[NH+](C)[C@@H]1C[C@H]([NH2+]CC2(O)CCC2)C12CCC2 ZINC001335531579 994806518 /nfs/dbraw/zinc/80/65/18/994806518.db2.gz VNGOLIKYORZWNK-NWDGAFQWSA-N 2 1 238.375 1.364 20 0 BDADMP CC(C)COCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308122234 995553615 /nfs/dbraw/zinc/55/36/15/995553615.db2.gz WGXFZTBIIAGDRI-KGLIPLIRSA-N 2 1 240.391 1.543 20 0 BDADMP CC(C)COCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308122234 995553623 /nfs/dbraw/zinc/55/36/23/995553623.db2.gz WGXFZTBIIAGDRI-KGLIPLIRSA-N 2 1 240.391 1.543 20 0 BDADMP CC(C)COCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308122234 995553633 /nfs/dbraw/zinc/55/36/33/995553633.db2.gz WGXFZTBIIAGDRI-KGLIPLIRSA-N 2 1 240.391 1.543 20 0 BDADMP CC(C)COCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308122234 995553639 /nfs/dbraw/zinc/55/36/39/995553639.db2.gz WGXFZTBIIAGDRI-KGLIPLIRSA-N 2 1 240.391 1.543 20 0 BDADMP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000563201402 398146588 /nfs/dbraw/zinc/14/65/88/398146588.db2.gz UDIVDUDBZVDEGY-QJPTWQEYSA-N 2 1 241.379 1.103 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@H]2CCCC[NH2+]2)n1 ZINC000257936207 349497618 /nfs/dbraw/zinc/49/76/18/349497618.db2.gz HOQFISCEPWQIDC-DTWKUNHWSA-N 2 1 224.308 1.035 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161965703 538920200 /nfs/dbraw/zinc/92/02/00/538920200.db2.gz YMVWZCYQOGVULW-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000161965703 538920201 /nfs/dbraw/zinc/92/02/01/538920201.db2.gz YMVWZCYQOGVULW-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000161965703 538920203 /nfs/dbraw/zinc/92/02/03/538920203.db2.gz YMVWZCYQOGVULW-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000130880820 178007909 /nfs/dbraw/zinc/00/79/09/178007909.db2.gz AIHQDCGVYRSLOW-UHTWSYAYSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@H](CCO)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000649869709 398155648 /nfs/dbraw/zinc/15/56/48/398155648.db2.gz KJFLMZISFSGHIS-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](CCO)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000649869709 398155651 /nfs/dbraw/zinc/15/56/51/398155651.db2.gz KJFLMZISFSGHIS-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](CCO)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000649869709 398155653 /nfs/dbraw/zinc/15/56/53/398155653.db2.gz KJFLMZISFSGHIS-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1COc2ccccc2C1 ZINC000415088464 398157830 /nfs/dbraw/zinc/15/78/30/398157830.db2.gz XNWNMAFJVVBENR-ZIAGYGMSSA-N 2 1 248.370 1.953 20 0 BDADMP C[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000379841934 398173952 /nfs/dbraw/zinc/17/39/52/398173952.db2.gz DEFMTCJKDMAKNV-UTUOFQBUSA-N 2 1 210.365 1.820 20 0 BDADMP C[C@@H]([NH2+]CC1(C)CCOCC1)c1c[nH+]ccc1N ZINC000423020637 398161881 /nfs/dbraw/zinc/16/18/81/398161881.db2.gz CJCXTFAGCNKDEY-LLVKDONJSA-N 2 1 249.358 1.961 20 0 BDADMP Cc1cc(N(C)CC[N@@H+](C)C2CC2)cc[nH+]1 ZINC000274758213 178098159 /nfs/dbraw/zinc/09/81/59/178098159.db2.gz JNBQMVXUVOVWGH-UHFFFAOYSA-N 2 1 219.332 1.920 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000386208580 398199932 /nfs/dbraw/zinc/19/99/32/398199932.db2.gz MLAFOMVLRNNNHH-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP CCc1cc(N2CC[C@@H](C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000272927945 538926605 /nfs/dbraw/zinc/92/66/05/538926605.db2.gz UZPGVTXIVDYPQP-LBPRGKRZSA-N 2 1 248.374 1.735 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])on1 ZINC000069720966 398213656 /nfs/dbraw/zinc/21/36/56/398213656.db2.gz ISWJEBINJPNSRU-NSHDSACASA-N 2 1 223.320 1.686 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])on1 ZINC000069720966 398213659 /nfs/dbraw/zinc/21/36/59/398213659.db2.gz ISWJEBINJPNSRU-NSHDSACASA-N 2 1 223.320 1.686 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346978 365573694 /nfs/dbraw/zinc/57/36/94/365573694.db2.gz VKJMUXGFLQAORI-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP c1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)nc1 ZINC000649411671 398212858 /nfs/dbraw/zinc/21/28/58/398212858.db2.gz PWIZTKUDHSGLQK-TZMCWYRMSA-N 2 1 231.343 1.828 20 0 BDADMP Cc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc[nH+]1 ZINC000274778279 178178137 /nfs/dbraw/zinc/17/81/37/178178137.db2.gz CWFHDCPPAQNUMO-STQMWFEESA-N 2 1 249.358 1.911 20 0 BDADMP Cc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc[nH+]1 ZINC000274778267 178185373 /nfs/dbraw/zinc/18/53/73/178185373.db2.gz CWFHDCPPAQNUMO-CHWSQXEVSA-N 2 1 249.358 1.911 20 0 BDADMP CN(C)c1ccccc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430564358 398227778 /nfs/dbraw/zinc/22/77/78/398227778.db2.gz ZJAAUVHVXLTJJF-HNNXBMFYSA-N 2 1 247.386 1.970 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000092630085 398235494 /nfs/dbraw/zinc/23/54/94/398235494.db2.gz WNOFEWCRYPRBHQ-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000092633599 398235590 /nfs/dbraw/zinc/23/55/90/398235590.db2.gz HXYUOFYHKYPEHS-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCn2ccnc2)CCN1C ZINC000162017621 349524816 /nfs/dbraw/zinc/52/48/16/349524816.db2.gz BHRVHZHDOJOYKJ-STQMWFEESA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCn2ccnc2)CC[N@@H+]1C ZINC000162017621 349524820 /nfs/dbraw/zinc/52/48/20/349524820.db2.gz BHRVHZHDOJOYKJ-STQMWFEESA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCn2ccnc2)CC[N@H+]1C ZINC000162017621 349524821 /nfs/dbraw/zinc/52/48/21/349524821.db2.gz BHRVHZHDOJOYKJ-STQMWFEESA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCn2ccnc2)CC[NH+]1C ZINC000162017621 349524824 /nfs/dbraw/zinc/52/48/24/349524824.db2.gz BHRVHZHDOJOYKJ-STQMWFEESA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCn2ccnc2)CC[NH+]1C ZINC000162017621 349524827 /nfs/dbraw/zinc/52/48/27/349524827.db2.gz BHRVHZHDOJOYKJ-STQMWFEESA-N 3 1 236.363 1.298 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCC1=CCCC1)C1CC1 ZINC000380136296 398244124 /nfs/dbraw/zinc/24/41/24/398244124.db2.gz PHOVWZKRWBBCEK-CQSZACIVSA-N 2 1 238.375 1.532 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1=CCCC1)C1CC1 ZINC000380136296 398244127 /nfs/dbraw/zinc/24/41/27/398244127.db2.gz PHOVWZKRWBBCEK-CQSZACIVSA-N 2 1 238.375 1.532 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087935 398250222 /nfs/dbraw/zinc/25/02/22/398250222.db2.gz FRSLKCFUAIEYGQ-NILFDRSVSA-N 2 1 245.370 1.720 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000379912570 365640773 /nfs/dbraw/zinc/64/07/73/365640773.db2.gz NTMQMCVTNHJNIH-MNOVXSKESA-N 2 1 214.353 1.077 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576703093 365662537 /nfs/dbraw/zinc/66/25/37/365662537.db2.gz AMWOUYPHNRKBAS-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000251323928 398269185 /nfs/dbraw/zinc/26/91/85/398269185.db2.gz OLYAJENJVRUXJK-VXGBXAGGSA-N 2 1 212.337 1.084 20 0 BDADMP CC[C@H](COC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166568530 361852777 /nfs/dbraw/zinc/85/27/77/361852777.db2.gz XZQRQOCCKRYUSJ-GFCCVEGCSA-N 2 1 216.369 1.731 20 0 BDADMP C[NH+](C)CC1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649488634 398283631 /nfs/dbraw/zinc/28/36/31/398283631.db2.gz UKMMKCGTOKXEBO-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+](C)CC1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649488634 398283634 /nfs/dbraw/zinc/28/36/34/398283634.db2.gz UKMMKCGTOKXEBO-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000335613718 136237696 /nfs/dbraw/zinc/23/76/96/136237696.db2.gz VUTVNJSYMWDRAF-NWDGAFQWSA-N 2 1 222.336 1.468 20 0 BDADMP CCC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671748 538972479 /nfs/dbraw/zinc/97/24/79/538972479.db2.gz AAUUYEYZWOATCV-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040671748 538972480 /nfs/dbraw/zinc/97/24/80/538972480.db2.gz AAUUYEYZWOATCV-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP OC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000097678130 342816607 /nfs/dbraw/zinc/81/66/07/342816607.db2.gz XVVFDLHLVNCLAU-HOAMVYINSA-N 2 1 238.375 1.506 20 0 BDADMP OC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000097678130 342816608 /nfs/dbraw/zinc/81/66/08/342816608.db2.gz XVVFDLHLVNCLAU-HOAMVYINSA-N 2 1 238.375 1.506 20 0 BDADMP O[C@@H]1CC[N@@H+](CCNc2[nH+]ccc3[nH]ccc32)C1 ZINC000624677783 342818003 /nfs/dbraw/zinc/81/80/03/342818003.db2.gz DVDGHOHNODCNHM-SNVBAGLBSA-N 2 1 246.314 1.041 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)CC(C)(C)O ZINC000086274855 398291469 /nfs/dbraw/zinc/29/14/69/398291469.db2.gz XJNNXGPYMUWPCP-UHFFFAOYSA-N 2 1 225.336 1.284 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)CC(C)(C)O ZINC000086274855 398291470 /nfs/dbraw/zinc/29/14/70/398291470.db2.gz XJNNXGPYMUWPCP-UHFFFAOYSA-N 2 1 225.336 1.284 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129467318 398291482 /nfs/dbraw/zinc/29/14/82/398291482.db2.gz KFMASHHLPACFIR-HBNTYKKESA-N 2 1 200.326 1.094 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129467318 398291483 /nfs/dbraw/zinc/29/14/83/398291483.db2.gz KFMASHHLPACFIR-HBNTYKKESA-N 2 1 200.326 1.094 20 0 BDADMP CCC(CC)[NH2+]C1CC[NH+](CCO)CC1 ZINC000379961462 538982645 /nfs/dbraw/zinc/98/26/45/538982645.db2.gz XBEVXGIOTDMORF-UHFFFAOYSA-N 2 1 214.353 1.221 20 0 BDADMP CCc1nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C)[nH+]1 ZINC000383064585 539011211 /nfs/dbraw/zinc/01/12/11/539011211.db2.gz OJOQHSWNFNXBIG-QWRGUYRKSA-N 2 1 232.331 1.003 20 0 BDADMP Cc1ccnc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000390554295 539026082 /nfs/dbraw/zinc/02/60/82/539026082.db2.gz PUTMXBHIQNMJBC-TXEJJXNPSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1ccnc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000390554295 539026083 /nfs/dbraw/zinc/02/60/83/539026083.db2.gz PUTMXBHIQNMJBC-TXEJJXNPSA-N 2 1 217.316 1.041 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOCc2ccccc2)C1 ZINC000390783767 539027358 /nfs/dbraw/zinc/02/73/58/539027358.db2.gz TXKBPAGTHBNSJV-HNNXBMFYSA-N 2 1 248.370 1.874 20 0 BDADMP CCSCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252767115 398302794 /nfs/dbraw/zinc/30/27/94/398302794.db2.gz JJZAOMFPFCVFCV-UWVGGRQHSA-N 2 1 202.367 1.409 20 0 BDADMP Cc1occc1C[NH2+]CCc1c[nH+]cn1C ZINC000401660837 342897007 /nfs/dbraw/zinc/89/70/07/342897007.db2.gz DHHXEVRJUSFCDY-UHFFFAOYSA-N 2 1 219.288 1.654 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000625166751 342898931 /nfs/dbraw/zinc/89/89/31/342898931.db2.gz LHXUCVRXDONLTH-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP COc1cccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000234870309 259328420 /nfs/dbraw/zinc/32/84/20/259328420.db2.gz DYKXDJFOQKTGHU-NXEZZACHSA-N 2 1 208.305 1.693 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C/C=C/c2ccccc2)CCCO1 ZINC000313342638 259333561 /nfs/dbraw/zinc/33/35/61/259333561.db2.gz GXKNFJRSEDNGDU-LWUPOJRFSA-N 2 1 246.354 1.749 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCCO1 ZINC000313342638 259333563 /nfs/dbraw/zinc/33/35/63/259333563.db2.gz GXKNFJRSEDNGDU-LWUPOJRFSA-N 2 1 246.354 1.749 20 0 BDADMP CCCCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313357859 259334067 /nfs/dbraw/zinc/33/40/67/259334067.db2.gz UIAXMBSBHMBPRN-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CC[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000678081881 488192505 /nfs/dbraw/zinc/19/25/05/488192505.db2.gz GDVPCYAIGKKEQS-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000678081881 488192507 /nfs/dbraw/zinc/19/25/07/488192507.db2.gz GDVPCYAIGKKEQS-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000678081881 488192509 /nfs/dbraw/zinc/19/25/09/488192509.db2.gz GDVPCYAIGKKEQS-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@@]1(O)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000495259540 529573760 /nfs/dbraw/zinc/57/37/60/529573760.db2.gz APGXOXLCYNSNJG-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(O)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000495259540 529573763 /nfs/dbraw/zinc/57/37/63/529573763.db2.gz APGXOXLCYNSNJG-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(O)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000495259540 529573765 /nfs/dbraw/zinc/57/37/65/529573765.db2.gz APGXOXLCYNSNJG-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+](Cc1ccsc1)C1CC[NH2+]CC1 ZINC000036867177 342992773 /nfs/dbraw/zinc/99/27/73/342992773.db2.gz FLHUMOPFADSKGA-UHFFFAOYSA-N 2 1 210.346 1.932 20 0 BDADMP C[N@@H+](Cc1ccsc1)C1CC[NH2+]CC1 ZINC000036867177 342992774 /nfs/dbraw/zinc/99/27/74/342992774.db2.gz FLHUMOPFADSKGA-UHFFFAOYSA-N 2 1 210.346 1.932 20 0 BDADMP C[C@H]1CCOCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000162449190 349709911 /nfs/dbraw/zinc/70/99/11/349709911.db2.gz KHFURNXUZYBHTJ-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000162449190 349709913 /nfs/dbraw/zinc/70/99/13/349709913.db2.gz KHFURNXUZYBHTJ-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccncc1 ZINC000576834438 365698920 /nfs/dbraw/zinc/69/89/20/365698920.db2.gz LCCSOBDYMVZVSV-GXTWGEPZSA-N 2 1 233.359 1.826 20 0 BDADMP Cc1cncc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000394967012 362101894 /nfs/dbraw/zinc/10/18/94/362101894.db2.gz HOLMOISIPRPTQM-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP Cc1cncc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000394967012 362101899 /nfs/dbraw/zinc/10/18/99/362101899.db2.gz HOLMOISIPRPTQM-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168734013 136269853 /nfs/dbraw/zinc/26/98/53/136269853.db2.gz WWOYQSKTVRKWQE-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP CCN1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000168734013 136269854 /nfs/dbraw/zinc/26/98/54/136269854.db2.gz WWOYQSKTVRKWQE-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000576976294 365740196 /nfs/dbraw/zinc/74/01/96/365740196.db2.gz UUQAXQGWLAHTGG-AAEUAGOBSA-N 2 1 236.363 1.681 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000157707205 343200444 /nfs/dbraw/zinc/20/04/44/343200444.db2.gz NMJODPFECKVZHB-YVECIDJPSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCN1C ZINC000157707205 343200445 /nfs/dbraw/zinc/20/04/45/343200445.db2.gz NMJODPFECKVZHB-YVECIDJPSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000157707205 343200446 /nfs/dbraw/zinc/20/04/46/343200446.db2.gz NMJODPFECKVZHB-YVECIDJPSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000157707205 343200447 /nfs/dbraw/zinc/20/04/47/343200447.db2.gz NMJODPFECKVZHB-YVECIDJPSA-N 3 1 225.380 1.329 20 0 BDADMP Cc1ccncc1C[NH2+]CCc1c[nH+]cn1C ZINC000401765901 343229010 /nfs/dbraw/zinc/22/90/10/343229010.db2.gz YMQOYAVBTQSQTR-UHFFFAOYSA-N 2 1 230.315 1.456 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(C)(C)O)CC[C@@H]21 ZINC000088091299 136284206 /nfs/dbraw/zinc/28/42/06/136284206.db2.gz GGQHODPQEGBCAE-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CC(C)(C)O)CC[C@@H]21 ZINC000088091299 136284207 /nfs/dbraw/zinc/28/42/07/136284207.db2.gz GGQHODPQEGBCAE-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(C)(C)O)CC[C@@H]21 ZINC000088091299 136284208 /nfs/dbraw/zinc/28/42/08/136284208.db2.gz GGQHODPQEGBCAE-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000634687388 343239800 /nfs/dbraw/zinc/23/98/00/343239800.db2.gz JKVBWSKMDPIKEP-FZMZJTMJSA-N 2 1 238.375 1.770 20 0 BDADMP Cc1nccn1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000348750732 136297045 /nfs/dbraw/zinc/29/70/45/136297045.db2.gz PNKWLWTYJHZBCE-MELADBBJSA-N 2 1 248.374 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000348750732 136297046 /nfs/dbraw/zinc/29/70/46/136297046.db2.gz PNKWLWTYJHZBCE-MELADBBJSA-N 3 1 248.374 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000348750732 136297047 /nfs/dbraw/zinc/29/70/47/136297047.db2.gz PNKWLWTYJHZBCE-MELADBBJSA-N 3 1 248.374 1.251 20 0 BDADMP Cn1ccnc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635225 136300791 /nfs/dbraw/zinc/30/07/91/136300791.db2.gz SBROSVGWARVCTJ-QWHCGFSZSA-N 2 1 248.374 1.242 20 0 BDADMP C(C1CC1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335638033 136302867 /nfs/dbraw/zinc/30/28/67/136302867.db2.gz ZWWIKHWDARFXKY-CHWSQXEVSA-N 2 1 208.349 1.718 20 0 BDADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000335643102 136308783 /nfs/dbraw/zinc/30/87/83/136308783.db2.gz NKVXUPFMMOKFMO-NEPJUHHUSA-N 2 1 232.327 1.504 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166228020 136314345 /nfs/dbraw/zinc/31/43/45/136314345.db2.gz YUBOLZSXFJALAC-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP C[N@H+]1CCCC12CCN(C[C@H]1CCOC1)CC2 ZINC000335737080 136350901 /nfs/dbraw/zinc/35/09/01/136350901.db2.gz QICJDYLGMCYZEV-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000335737080 136350902 /nfs/dbraw/zinc/35/09/02/136350902.db2.gz QICJDYLGMCYZEV-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000335737080 136350903 /nfs/dbraw/zinc/35/09/03/136350903.db2.gz QICJDYLGMCYZEV-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000335712715 136337829 /nfs/dbraw/zinc/33/78/29/136337829.db2.gz KFDPMLVFYHRRED-LBPRGKRZSA-N 2 1 245.370 1.825 20 0 BDADMP CCC[C@@H]([NH3+])c1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641155849 362242704 /nfs/dbraw/zinc/24/27/04/362242704.db2.gz HGCWTJUBPVBYBB-SNVBAGLBSA-N 2 1 248.334 1.466 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](O)CC1 ZINC000335888782 136358163 /nfs/dbraw/zinc/35/81/63/136358163.db2.gz XVRYKUDFYAFNHO-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](O)CC1 ZINC000335888782 136358164 /nfs/dbraw/zinc/35/81/64/136358164.db2.gz XVRYKUDFYAFNHO-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](O)CC1 ZINC000335888782 136358165 /nfs/dbraw/zinc/35/81/65/136358165.db2.gz XVRYKUDFYAFNHO-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP CCOCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082601499 343454449 /nfs/dbraw/zinc/45/44/49/343454449.db2.gz RAXHYFAWKOJTJI-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CCc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)nc(C)[nH+]1 ZINC000216163804 136364952 /nfs/dbraw/zinc/36/49/52/136364952.db2.gz GPMYWZNVAAURAL-ONGXEEELSA-N 2 1 234.347 1.521 20 0 BDADMP Cc1ncccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000261542464 136374483 /nfs/dbraw/zinc/37/44/83/136374483.db2.gz CFZBVOCMPVACCU-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1ncccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000261542464 136374484 /nfs/dbraw/zinc/37/44/84/136374484.db2.gz CFZBVOCMPVACCU-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000310563681 343537619 /nfs/dbraw/zinc/53/76/19/343537619.db2.gz WPLHPBDRFVTCAR-OLZOCXBDSA-N 2 1 246.395 1.046 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1(C)C ZINC000379950623 365761422 /nfs/dbraw/zinc/76/14/22/365761422.db2.gz FDBZLLXLLVBSCG-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1(C)C ZINC000379950623 365761424 /nfs/dbraw/zinc/76/14/24/365761424.db2.gz FDBZLLXLLVBSCG-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC1(C)C ZINC000379950623 365761430 /nfs/dbraw/zinc/76/14/30/365761430.db2.gz FDBZLLXLLVBSCG-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC1(C)C ZINC000379950623 365761432 /nfs/dbraw/zinc/76/14/32/365761432.db2.gz FDBZLLXLLVBSCG-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(O)c1 ZINC000049553414 343602759 /nfs/dbraw/zinc/60/27/59/343602759.db2.gz UNYICFPHKIGHKR-LLVKDONJSA-N 2 1 222.332 1.822 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000087393683 343647131 /nfs/dbraw/zinc/64/71/31/343647131.db2.gz PCXJMFWRUQRUAW-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP CCCC[N@@H+](CCO)CC1CC[NH2+]CC1 ZINC000087647803 343656116 /nfs/dbraw/zinc/65/61/16/343656116.db2.gz YXNDGEREJANAGU-UHFFFAOYSA-N 2 1 214.353 1.080 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625435238 343736745 /nfs/dbraw/zinc/73/67/45/343736745.db2.gz OURYQKZUMUJRIA-UHFFFAOYSA-N 2 1 245.330 1.134 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CCc2nc[nH]c2C1 ZINC000625435238 343736747 /nfs/dbraw/zinc/73/67/47/343736747.db2.gz OURYQKZUMUJRIA-UHFFFAOYSA-N 2 1 245.330 1.134 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584182716 343770911 /nfs/dbraw/zinc/77/09/11/343770911.db2.gz IZLCBYCJDRHDRR-QWHCGFSZSA-N 2 1 239.407 1.720 20 0 BDADMP CC1(C)CCCN1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584182716 343770913 /nfs/dbraw/zinc/77/09/13/343770913.db2.gz IZLCBYCJDRHDRR-QWHCGFSZSA-N 2 1 239.407 1.720 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC1(C)C)C1CC1 ZINC000381033864 343778483 /nfs/dbraw/zinc/77/84/83/343778483.db2.gz DVFHXIMUXRJKDQ-CMPLNLGQSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC1(C)C)C1CC1 ZINC000381033864 343778484 /nfs/dbraw/zinc/77/84/84/343778484.db2.gz DVFHXIMUXRJKDQ-CMPLNLGQSA-N 2 1 226.364 1.077 20 0 BDADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000576506727 343751817 /nfs/dbraw/zinc/75/18/17/343751817.db2.gz DNNKIRQEKLBKEF-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000576506727 343751818 /nfs/dbraw/zinc/75/18/18/343751818.db2.gz DNNKIRQEKLBKEF-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000576506727 343751821 /nfs/dbraw/zinc/75/18/21/343751821.db2.gz DNNKIRQEKLBKEF-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C1C[C@]2(C[N@H+]1C1CC[NH2+]CC1)CCCCO2 ZINC000409431419 343823710 /nfs/dbraw/zinc/82/37/10/343823710.db2.gz SFSZXKRFQNOACU-ZDUSSCGKSA-N 2 1 224.348 1.383 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[C@H]1O ZINC000511608050 529929814 /nfs/dbraw/zinc/92/98/14/529929814.db2.gz BBJDJFMQACOZJA-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[C@H]1O ZINC000511608050 529929816 /nfs/dbraw/zinc/92/98/16/529929816.db2.gz BBJDJFMQACOZJA-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[C@H]1O ZINC000511608050 529929817 /nfs/dbraw/zinc/92/98/17/529929817.db2.gz BBJDJFMQACOZJA-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](CC(C)C)C(C)C ZINC000381059542 343918837 /nfs/dbraw/zinc/91/88/37/343918837.db2.gz KNCCAHUOZAKTEY-CYBMUJFWSA-N 2 1 230.396 1.665 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC(C)C)C(C)C ZINC000381059542 343918839 /nfs/dbraw/zinc/91/88/39/343918839.db2.gz KNCCAHUOZAKTEY-CYBMUJFWSA-N 2 1 230.396 1.665 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)C)C(C)C ZINC000381059542 343918840 /nfs/dbraw/zinc/91/88/40/343918840.db2.gz KNCCAHUOZAKTEY-CYBMUJFWSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC(C)C)C(C)C ZINC000381059542 343918842 /nfs/dbraw/zinc/91/88/42/343918842.db2.gz KNCCAHUOZAKTEY-CYBMUJFWSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)C)C(C)C ZINC000381059542 343918843 /nfs/dbraw/zinc/91/88/43/343918843.db2.gz KNCCAHUOZAKTEY-CYBMUJFWSA-N 2 1 230.396 1.665 20 0 BDADMP Fc1cnccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000641308980 362359568 /nfs/dbraw/zinc/35/95/68/362359568.db2.gz LMDRUPQFBUKPCJ-SECBINFHSA-N 2 1 221.279 1.291 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nccs1 ZINC000387721967 347042900 /nfs/dbraw/zinc/04/29/00/347042900.db2.gz NAZBXMWWHJTAIJ-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1nccs1 ZINC000387721967 347042904 /nfs/dbraw/zinc/04/29/04/347042904.db2.gz NAZBXMWWHJTAIJ-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000093210549 344312177 /nfs/dbraw/zinc/31/21/77/344312177.db2.gz HQHPCNWMXYSCBI-GHMZBOCLSA-N 2 1 245.330 1.089 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000133507285 344319711 /nfs/dbraw/zinc/31/97/11/344319711.db2.gz WZCJJXFMTSUZLY-MNOVXSKESA-N 2 1 200.326 1.223 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000600699734 344359632 /nfs/dbraw/zinc/35/96/32/344359632.db2.gz CQNIZDPWNRHACN-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP COC(=O)CCCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000600709594 344361182 /nfs/dbraw/zinc/36/11/82/344361182.db2.gz LICVFCWEMCRWCE-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000600709594 344361184 /nfs/dbraw/zinc/36/11/84/344361184.db2.gz LICVFCWEMCRWCE-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP COC(=O)CCCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000600712296 344361493 /nfs/dbraw/zinc/36/14/93/344361493.db2.gz WQOCYAARNPTXCS-SNVBAGLBSA-N 2 1 230.352 1.293 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CO)CC(F)F)CC1 ZINC000309636328 344422569 /nfs/dbraw/zinc/42/25/69/344422569.db2.gz JNMCNJLKFGUFSU-JTQLQIEISA-N 2 1 236.306 1.076 20 0 BDADMP Cc1nc(N[C@H]2CC[NH2+][C@H](C)C2)c(C)c(C)[nH+]1 ZINC000634808546 344393348 /nfs/dbraw/zinc/39/33/48/344393348.db2.gz WLPTVYMOAOPNPN-PELKAZGASA-N 2 1 234.347 1.954 20 0 BDADMP Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C)ccn1 ZINC000600930190 344399358 /nfs/dbraw/zinc/39/93/58/344399358.db2.gz XBJAFMWJZCYAAQ-LBPRGKRZSA-N 2 1 233.315 1.235 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000158338042 344603880 /nfs/dbraw/zinc/60/38/80/344603880.db2.gz QMCDIIZDEUICAB-ZYHUDNBSSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000158338042 344603883 /nfs/dbraw/zinc/60/38/83/344603883.db2.gz QMCDIIZDEUICAB-ZYHUDNBSSA-N 2 1 235.331 1.259 20 0 BDADMP Cn1cccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000049538127 344649770 /nfs/dbraw/zinc/64/97/70/344649770.db2.gz JNDCEEZHKJGNSV-UHFFFAOYSA-N 2 1 207.321 1.209 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000382030636 347073390 /nfs/dbraw/zinc/07/33/90/347073390.db2.gz DGEJQYLXLBRLEN-JHJVBQTASA-N 2 1 226.364 1.208 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227917046 323077232 /nfs/dbraw/zinc/07/72/32/323077232.db2.gz RSYLJAPZWCWBLK-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227917046 323077233 /nfs/dbraw/zinc/07/72/33/323077233.db2.gz RSYLJAPZWCWBLK-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP CCOCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835623 344792627 /nfs/dbraw/zinc/79/26/27/344792627.db2.gz KQUXUZNNYKKWQT-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000248131982 345051029 /nfs/dbraw/zinc/05/10/29/345051029.db2.gz OOIIJDVXAFDBBI-KBPBESRZSA-N 2 1 248.374 1.336 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000359594410 345090722 /nfs/dbraw/zinc/09/07/22/345090722.db2.gz UAIXQRHKPYCGPB-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359594410 345090725 /nfs/dbraw/zinc/09/07/25/345090725.db2.gz UAIXQRHKPYCGPB-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359594410 345090728 /nfs/dbraw/zinc/09/07/28/345090728.db2.gz UAIXQRHKPYCGPB-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359594410 345090731 /nfs/dbraw/zinc/09/07/31/345090731.db2.gz UAIXQRHKPYCGPB-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359594410 345090734 /nfs/dbraw/zinc/09/07/34/345090734.db2.gz UAIXQRHKPYCGPB-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](CC34CC(C3)C[NH2+]4)C[C@@H]21 ZINC000634993219 345189900 /nfs/dbraw/zinc/18/99/00/345189900.db2.gz NSSLERTZKJFROJ-VOZVASTJSA-N 2 1 206.333 1.326 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000156555064 345175957 /nfs/dbraw/zinc/17/59/57/345175957.db2.gz JDNMREHDHUXTKN-SYQHCUMBSA-N 3 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000156555064 345175960 /nfs/dbraw/zinc/17/59/60/345175960.db2.gz JDNMREHDHUXTKN-SYQHCUMBSA-N 3 1 239.407 1.541 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000634993481 345190307 /nfs/dbraw/zinc/19/03/07/345190307.db2.gz WBBRXVGBVHKRLH-PIOWNMBXSA-N 2 1 249.402 1.155 20 0 BDADMP CC(C)[N@H+]1CCCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991594 345177969 /nfs/dbraw/zinc/17/79/69/345177969.db2.gz KHPLLHRZCSNTCL-UHFFFAOYSA-N 2 1 237.391 1.155 20 0 BDADMP C([N@H+]1CCC[C@@H]2COCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634994787 345182725 /nfs/dbraw/zinc/18/27/25/345182725.db2.gz MSLIWDIFYUGIRE-DKNRTOFZSA-N 2 1 236.359 1.239 20 0 BDADMP Cc1noc(C)c1C[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995392 345184459 /nfs/dbraw/zinc/18/44/59/345184459.db2.gz CPXXQIZIRDHARU-JTZLXEIQSA-N 2 1 249.358 1.564 20 0 BDADMP COCC1([NH2+]CC23CC(C2)C[NH2+]3)CCCC1 ZINC000634996581 345188925 /nfs/dbraw/zinc/18/89/25/345188925.db2.gz OJBVSORRUCIXNH-UHFFFAOYSA-N 2 1 224.348 1.287 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000634999232 345199309 /nfs/dbraw/zinc/19/93/09/345199309.db2.gz RJQPPFQZMXHFBB-SMDDNHRTSA-N 2 1 246.354 1.648 20 0 BDADMP COCc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000634999506 345200772 /nfs/dbraw/zinc/20/07/72/345200772.db2.gz VPFLZGYKTDLLKJ-GHMZBOCLSA-N 2 1 238.331 1.453 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000635003133 345205713 /nfs/dbraw/zinc/20/57/13/345205713.db2.gz GPAMMYMMYJWHPO-QJPTWQEYSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005095 345209159 /nfs/dbraw/zinc/20/91/59/345209159.db2.gz MBSJGRGYVAYKSC-LPWJVIDDSA-N 3 1 225.380 1.092 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635005661 345209661 /nfs/dbraw/zinc/20/96/61/345209661.db2.gz WESDZFCPPQPDFH-WOPDTQHZSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000635008056 345215667 /nfs/dbraw/zinc/21/56/67/345215667.db2.gz YPUBBINCOJAVOA-FDYHWXHSSA-N 2 1 225.380 1.234 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158553620 345347825 /nfs/dbraw/zinc/34/78/25/345347825.db2.gz IPELLCJSXGBUQM-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158553620 345347828 /nfs/dbraw/zinc/34/78/28/345347828.db2.gz IPELLCJSXGBUQM-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158553620 345347830 /nfs/dbraw/zinc/34/78/30/345347830.db2.gz IPELLCJSXGBUQM-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000335590998 345412152 /nfs/dbraw/zinc/41/21/52/345412152.db2.gz HVIPPHYBNQWAOD-ZDUSSCGKSA-N 2 1 234.343 1.870 20 0 BDADMP C[NH+](C)CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000115209981 345676645 /nfs/dbraw/zinc/67/66/45/345676645.db2.gz BSENNTIVOANGAZ-UHFFFAOYSA-N 2 1 249.362 1.440 20 0 BDADMP C[NH+](C)CCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000390294706 259385020 /nfs/dbraw/zinc/38/50/20/259385020.db2.gz QHRYQDWIJVRARI-UHFFFAOYSA-N 2 1 246.358 1.994 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)C(C)(C)C1 ZINC000581377368 345942914 /nfs/dbraw/zinc/94/29/14/345942914.db2.gz ABKUUPOKQDCSDQ-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](C)C(C)(C)C1 ZINC000581377368 345942916 /nfs/dbraw/zinc/94/29/16/345942916.db2.gz ABKUUPOKQDCSDQ-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)N(C)CCCC[NH+](C)C ZINC000673839204 488309221 /nfs/dbraw/zinc/30/92/21/488309221.db2.gz CPPIKKONRWRBQN-UHFFFAOYSA-N 2 1 243.395 1.127 20 0 BDADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000419200961 192103033 /nfs/dbraw/zinc/10/30/33/192103033.db2.gz FCMFTEBRAKELNH-ZIAGYGMSSA-N 2 1 242.407 1.931 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000090320631 179083933 /nfs/dbraw/zinc/08/39/33/179083933.db2.gz VLTOXGJKLZXXNQ-GASCZTMLSA-N 2 1 230.355 1.955 20 0 BDADMP C[C@H]1CCCN(CCc2c[nH+]cn2C)[C@H]1C[NH3+] ZINC000641797014 362741414 /nfs/dbraw/zinc/74/14/14/362741414.db2.gz PRTKKHPKGJFMNX-AAEUAGOBSA-N 2 1 236.363 1.022 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000641804066 362761825 /nfs/dbraw/zinc/76/18/25/362761825.db2.gz AJMNCJYMPIUZOI-YIYPIFLZSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CC[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000641804066 362761829 /nfs/dbraw/zinc/76/18/29/362761829.db2.gz AJMNCJYMPIUZOI-YIYPIFLZSA-N 2 1 239.407 1.434 20 0 BDADMP CCC(C)(C)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805399 362762991 /nfs/dbraw/zinc/76/29/91/362762991.db2.gz NSIMTHYKJOHXFX-NXEZZACHSA-N 2 1 241.379 1.007 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOCC2CC2)[C@H]1C ZINC000641808330 362763014 /nfs/dbraw/zinc/76/30/14/362763014.db2.gz MWBKRLTYFDWYHG-DYEKYZERSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOCC2CC2)[C@H]1C ZINC000641808330 362763019 /nfs/dbraw/zinc/76/30/19/362763019.db2.gz MWBKRLTYFDWYHG-DYEKYZERSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013729 349970963 /nfs/dbraw/zinc/97/09/63/349970963.db2.gz FLHPXKHEBATCSN-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1cncc1CCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000577122723 365827085 /nfs/dbraw/zinc/82/70/85/365827085.db2.gz WWORVCPEDNCRBE-BETUJISGSA-N 2 1 233.359 1.941 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000577122723 365827089 /nfs/dbraw/zinc/82/70/89/365827089.db2.gz WWORVCPEDNCRBE-BETUJISGSA-N 2 1 233.359 1.941 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000577122723 365827092 /nfs/dbraw/zinc/82/70/92/365827092.db2.gz WWORVCPEDNCRBE-BETUJISGSA-N 2 1 233.359 1.941 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622005080 370655130 /nfs/dbraw/zinc/65/51/30/370655130.db2.gz YIMYEPSBENNWBS-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)CC[NH2+]1 ZINC000622004394 370655558 /nfs/dbraw/zinc/65/55/58/370655558.db2.gz OBCVKMZFSRDONT-AAVRWANBSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000582062275 347160171 /nfs/dbraw/zinc/16/01/71/347160171.db2.gz APPYGLXUGVAWFY-RQJABVFESA-N 2 1 238.375 1.485 20 0 BDADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)on1 ZINC000631158547 347288405 /nfs/dbraw/zinc/28/84/05/347288405.db2.gz WIDCBPCRJNFIHO-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP C[N@H+](C[C@H]1CCCCO1)[C@H](C[NH3+])C1CC1 ZINC000250409890 362803717 /nfs/dbraw/zinc/80/37/17/362803717.db2.gz NOIWJAGNHPZIME-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)[C@H](C[NH3+])C1CC1 ZINC000250409890 362803720 /nfs/dbraw/zinc/80/37/20/362803720.db2.gz NOIWJAGNHPZIME-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1cc(C)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358174264 187379136 /nfs/dbraw/zinc/37/91/36/187379136.db2.gz YIOKSILBYOGHMU-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1cc(C)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358174264 187379138 /nfs/dbraw/zinc/37/91/38/187379138.db2.gz YIOKSILBYOGHMU-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP CCOC(=O)CCCC[N@@H+](C)CCC[NH3+] ZINC000592474260 347790651 /nfs/dbraw/zinc/79/06/51/347790651.db2.gz MYSCNUBZAADYOG-UHFFFAOYSA-N 2 1 216.325 1.000 20 0 BDADMP C[N@@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000594709599 348104408 /nfs/dbraw/zinc/10/44/08/348104408.db2.gz NBGWZAHWOAGJAO-JTQLQIEISA-N 2 1 245.330 1.134 20 0 BDADMP C[N@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000594709599 348104409 /nfs/dbraw/zinc/10/44/09/348104409.db2.gz NBGWZAHWOAGJAO-JTQLQIEISA-N 2 1 245.330 1.134 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000594736786 348109959 /nfs/dbraw/zinc/10/99/59/348109959.db2.gz UZDVEUWUDWBHIJ-UHFFFAOYSA-N 2 1 230.352 1.245 20 0 BDADMP COC(=O)C(C)(C)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000594736786 348109960 /nfs/dbraw/zinc/10/99/60/348109960.db2.gz UZDVEUWUDWBHIJ-UHFFFAOYSA-N 2 1 230.352 1.245 20 0 BDADMP C[C@@H](CSCCF)[NH2+]CCc1c[nH+]cn1C ZINC000595032356 348175233 /nfs/dbraw/zinc/17/52/33/348175233.db2.gz IHHWIXSJPWRTQM-JTQLQIEISA-N 2 1 245.367 1.643 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000161771354 179374025 /nfs/dbraw/zinc/37/40/25/179374025.db2.gz FQJFFGJVACAOKI-CHWSQXEVSA-N 2 1 233.359 1.949 20 0 BDADMP CSCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508826 348264734 /nfs/dbraw/zinc/26/47/34/348264734.db2.gz YLYWVMMAFDVFQT-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CSCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595508826 348264737 /nfs/dbraw/zinc/26/47/37/348264737.db2.gz YLYWVMMAFDVFQT-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CSCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595508826 348264738 /nfs/dbraw/zinc/26/47/38/348264738.db2.gz YLYWVMMAFDVFQT-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CSCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508812 348265182 /nfs/dbraw/zinc/26/51/82/348265182.db2.gz YLYWVMMAFDVFQT-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CSCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595508812 348265183 /nfs/dbraw/zinc/26/51/83/348265183.db2.gz YLYWVMMAFDVFQT-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CSCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595508812 348265184 /nfs/dbraw/zinc/26/51/84/348265184.db2.gz YLYWVMMAFDVFQT-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669381994 538002266 /nfs/dbraw/zinc/00/22/66/538002266.db2.gz CWZOHZYLUMYOSC-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])O1 ZINC000251557641 362886428 /nfs/dbraw/zinc/88/64/28/362886428.db2.gz AEPSZJSPSCWIPF-LOWDOPEQSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])O1 ZINC000251557641 362886430 /nfs/dbraw/zinc/88/64/30/362886430.db2.gz AEPSZJSPSCWIPF-LOWDOPEQSA-N 2 1 226.364 1.613 20 0 BDADMP Cc1cc(N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)nc(C)[nH+]1 ZINC000397479419 362887858 /nfs/dbraw/zinc/88/78/58/362887858.db2.gz KWUIZTZLWLMXKG-CDMKHQONSA-N 2 1 248.374 1.903 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356900696 187395767 /nfs/dbraw/zinc/39/57/67/187395767.db2.gz OZLHDYOOAOCCHS-WCQYABFASA-N 2 1 237.347 1.596 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnccn1 ZINC000268810892 187399003 /nfs/dbraw/zinc/39/90/03/187399003.db2.gz MAMCLQTXROZFFK-SNVBAGLBSA-N 2 1 231.303 1.332 20 0 BDADMP CCSC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000596654226 348607672 /nfs/dbraw/zinc/60/76/72/348607672.db2.gz YUDDCIVKAANQCR-WDEREUQCSA-N 2 1 228.405 1.860 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000069847306 490186708 /nfs/dbraw/zinc/18/67/08/490186708.db2.gz XRIOPKVWQDVYNI-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623507569 362930757 /nfs/dbraw/zinc/93/07/57/362930757.db2.gz QPTDUJDPJINFLC-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000308856508 348907970 /nfs/dbraw/zinc/90/79/70/348907970.db2.gz OHISJNYYCFTHKW-RYUDHWBXSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000308856508 348907974 /nfs/dbraw/zinc/90/79/74/348907974.db2.gz OHISJNYYCFTHKW-RYUDHWBXSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000308856508 348907977 /nfs/dbraw/zinc/90/79/77/348907977.db2.gz OHISJNYYCFTHKW-RYUDHWBXSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000308856508 348907978 /nfs/dbraw/zinc/90/79/78/348907978.db2.gz OHISJNYYCFTHKW-RYUDHWBXSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@@H]1C[N@@H+](C)CCN1CCC[NH+](CC)CC ZINC000518706637 538016848 /nfs/dbraw/zinc/01/68/48/538016848.db2.gz QTGPYOQACSCBLX-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC000250832605 349180471 /nfs/dbraw/zinc/18/04/71/349180471.db2.gz JRPGWWYFXCTSPY-CHWSQXEVSA-N 2 1 238.375 1.508 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000250832605 349180472 /nfs/dbraw/zinc/18/04/72/349180472.db2.gz JRPGWWYFXCTSPY-CHWSQXEVSA-N 2 1 238.375 1.508 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250502139 349173929 /nfs/dbraw/zinc/17/39/29/349173929.db2.gz LTIRHYOKNSVPJE-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CCCNC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226431097 535100907 /nfs/dbraw/zinc/10/09/07/535100907.db2.gz NUEZOQRFDSXSRA-VXGBXAGGSA-N 2 1 243.395 1.206 20 0 BDADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226431097 535100910 /nfs/dbraw/zinc/10/09/10/535100910.db2.gz NUEZOQRFDSXSRA-VXGBXAGGSA-N 2 1 243.395 1.206 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530245 362949612 /nfs/dbraw/zinc/94/96/12/362949612.db2.gz RIYNLJQEFPPHPT-CHWSQXEVSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530245 362949614 /nfs/dbraw/zinc/94/96/14/362949614.db2.gz RIYNLJQEFPPHPT-CHWSQXEVSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530245 362949616 /nfs/dbraw/zinc/94/96/16/362949616.db2.gz RIYNLJQEFPPHPT-CHWSQXEVSA-N 3 1 241.423 1.647 20 0 BDADMP CSCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132446644 191033174 /nfs/dbraw/zinc/03/31/74/191033174.db2.gz JJDHRFSRTNMQCP-QWRGUYRKSA-N 2 1 216.394 1.812 20 0 BDADMP COCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000132406616 191031364 /nfs/dbraw/zinc/03/13/64/191031364.db2.gz RVWATYPRWVQBFE-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154367053 191077150 /nfs/dbraw/zinc/07/71/50/191077150.db2.gz SIKDHWWZLLEDGZ-VXGBXAGGSA-N 2 1 216.369 1.467 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310086451 180223027 /nfs/dbraw/zinc/22/30/27/180223027.db2.gz HATPEEXQYDLNOU-BXUZGUMPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310086451 180223028 /nfs/dbraw/zinc/22/30/28/180223028.db2.gz HATPEEXQYDLNOU-BXUZGUMPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnccn1 ZINC000270699622 180236239 /nfs/dbraw/zinc/23/62/39/180236239.db2.gz XRLFJXZYKPVMSP-UHFFFAOYSA-N 2 1 245.330 1.504 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnccn1 ZINC000270699622 180236241 /nfs/dbraw/zinc/23/62/41/180236241.db2.gz XRLFJXZYKPVMSP-UHFFFAOYSA-N 2 1 245.330 1.504 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@@H]1CN ZINC000083551591 350240410 /nfs/dbraw/zinc/24/04/10/350240410.db2.gz GBXHOKSBBCGBJL-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CCOCCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000083551591 350240413 /nfs/dbraw/zinc/24/04/13/350240413.db2.gz GBXHOKSBBCGBJL-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000083551591 350240417 /nfs/dbraw/zinc/24/04/17/350240417.db2.gz GBXHOKSBBCGBJL-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000336683851 180238589 /nfs/dbraw/zinc/23/85/89/180238589.db2.gz SZIPPNWORFQCEW-CMPLNLGQSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000336683851 180238591 /nfs/dbraw/zinc/23/85/91/180238591.db2.gz SZIPPNWORFQCEW-CMPLNLGQSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000269702244 180246362 /nfs/dbraw/zinc/24/63/62/180246362.db2.gz MHAKGRBDONGYHT-PWSUYJOCSA-N 2 1 223.320 1.349 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000364784051 180247050 /nfs/dbraw/zinc/24/70/50/180247050.db2.gz KXVLXDFHRZDVIQ-KGLIPLIRSA-N 2 1 249.358 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)COC(C)C ZINC000337334188 180247079 /nfs/dbraw/zinc/24/70/79/180247079.db2.gz KIDGAADKAOTRAY-GFCCVEGCSA-N 2 1 239.363 1.985 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000338011638 180247173 /nfs/dbraw/zinc/24/71/73/180247173.db2.gz KZFFPDLBLBOVAL-YPMHNXCESA-N 2 1 237.347 1.596 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@](C)(CO)C(C)C ZINC000352880842 180247790 /nfs/dbraw/zinc/24/77/90/180247790.db2.gz IMPSVDFUYOPNHP-ZDUSSCGKSA-N 2 1 239.363 1.578 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCSC1 ZINC000270868681 180251916 /nfs/dbraw/zinc/25/19/16/180251916.db2.gz LHXFQYWJUUOEMO-LLVKDONJSA-N 2 1 225.361 1.629 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCSC1 ZINC000270868681 180251919 /nfs/dbraw/zinc/25/19/19/180251919.db2.gz LHXFQYWJUUOEMO-LLVKDONJSA-N 2 1 225.361 1.629 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000336705653 180252082 /nfs/dbraw/zinc/25/20/82/180252082.db2.gz NTANPDWNNYQLQB-CHWSQXEVSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000336705653 180252086 /nfs/dbraw/zinc/25/20/86/180252086.db2.gz NTANPDWNNYQLQB-CHWSQXEVSA-N 2 1 237.347 1.284 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)[C@@H](C)C1 ZINC000305112951 490437680 /nfs/dbraw/zinc/43/76/80/490437680.db2.gz GQYLQMJBXMFWBQ-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)CN(C)CC ZINC000309305994 350274424 /nfs/dbraw/zinc/27/44/24/350274424.db2.gz ZRFAOMHQWGBULA-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000309305994 350274427 /nfs/dbraw/zinc/27/44/27/350274427.db2.gz ZRFAOMHQWGBULA-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000309305994 350274429 /nfs/dbraw/zinc/27/44/29/350274429.db2.gz ZRFAOMHQWGBULA-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000309305994 350274431 /nfs/dbraw/zinc/27/44/31/350274431.db2.gz ZRFAOMHQWGBULA-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000309305994 350274433 /nfs/dbraw/zinc/27/44/33/350274433.db2.gz ZRFAOMHQWGBULA-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000026472784 350278112 /nfs/dbraw/zinc/27/81/12/350278112.db2.gz FAAJGRKBWPZWPV-AWEZNQCLSA-N 2 1 234.343 1.545 20 0 BDADMP Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000026472784 350278115 /nfs/dbraw/zinc/27/81/15/350278115.db2.gz FAAJGRKBWPZWPV-AWEZNQCLSA-N 2 1 234.343 1.545 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000309160551 323321126 /nfs/dbraw/zinc/32/11/26/323321126.db2.gz YWCGGWHIOWWUKV-JTQLQIEISA-N 2 1 209.337 1.987 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234458 191097179 /nfs/dbraw/zinc/09/71/79/191097179.db2.gz VBKYCHRLJVRKNW-JHJVBQTASA-N 2 1 240.416 1.956 20 0 BDADMP CCC1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000309214833 323329621 /nfs/dbraw/zinc/32/96/21/323329621.db2.gz FHUQSSPYJBOIPW-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000328166085 350377013 /nfs/dbraw/zinc/37/70/13/350377013.db2.gz IXJMVKMMLOXKKG-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069723873 350392427 /nfs/dbraw/zinc/39/24/27/350392427.db2.gz SBMBDAOSCFIDFJ-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCC1 ZINC000069804745 350403437 /nfs/dbraw/zinc/40/34/37/350403437.db2.gz LUZWGZUEQAPEQE-CMPLNLGQSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227055417 180337956 /nfs/dbraw/zinc/33/79/56/180337956.db2.gz MSZZWIMLAKJBMV-TVQRCGJNSA-N 2 1 236.363 1.206 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227055417 180337959 /nfs/dbraw/zinc/33/79/59/180337959.db2.gz MSZZWIMLAKJBMV-TVQRCGJNSA-N 2 1 236.363 1.206 20 0 BDADMP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000309422876 350451869 /nfs/dbraw/zinc/45/18/69/350451869.db2.gz LNZBHPBMNSHBPN-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000309422876 350451871 /nfs/dbraw/zinc/45/18/71/350451871.db2.gz LNZBHPBMNSHBPN-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000309422876 350451872 /nfs/dbraw/zinc/45/18/72/350451872.db2.gz LNZBHPBMNSHBPN-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000309422876 350451874 /nfs/dbraw/zinc/45/18/74/350451874.db2.gz LNZBHPBMNSHBPN-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP Cc1nn(C)cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128288281 180371474 /nfs/dbraw/zinc/37/14/74/180371474.db2.gz BVTYZXFJYGIOBE-ZDUSSCGKSA-N 2 1 238.379 1.534 20 0 BDADMP Cc1nn(C)cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128288281 180371476 /nfs/dbraw/zinc/37/14/76/180371476.db2.gz BVTYZXFJYGIOBE-ZDUSSCGKSA-N 2 1 238.379 1.534 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577492645 365968400 /nfs/dbraw/zinc/96/84/00/365968400.db2.gz HPQXEJLYGYYBIG-AWEZNQCLSA-N 2 1 240.391 1.879 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)O1 ZINC000251898935 362980913 /nfs/dbraw/zinc/98/09/13/362980913.db2.gz SJLGAHGNYGNTEG-DDHJBXDOSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cncs1 ZINC000159652640 350962703 /nfs/dbraw/zinc/96/27/03/350962703.db2.gz WPEJKDAIVLXNFF-BDAKNGLRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cncs1 ZINC000159652640 350962706 /nfs/dbraw/zinc/96/27/06/350962706.db2.gz WPEJKDAIVLXNFF-BDAKNGLRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000019722250 350971886 /nfs/dbraw/zinc/97/18/86/350971886.db2.gz ZSABESQBEGLEFH-NSHDSACASA-N 2 1 247.342 1.094 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623574626 363004948 /nfs/dbraw/zinc/00/49/48/363004948.db2.gz SFBAETYPCVNSKZ-LOWVWBTDSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(F)(F)F ZINC000063100441 351140796 /nfs/dbraw/zinc/14/07/96/351140796.db2.gz FHGMCPAUAMWOLK-YUMQZZPRSA-N 2 1 210.243 1.750 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(F)(F)F ZINC000063100441 351140797 /nfs/dbraw/zinc/14/07/97/351140797.db2.gz FHGMCPAUAMWOLK-YUMQZZPRSA-N 2 1 210.243 1.750 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H](C)OC)C1 ZINC000252715827 538100651 /nfs/dbraw/zinc/10/06/51/538100651.db2.gz WVAISFWRELLGNY-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000178029847 366079466 /nfs/dbraw/zinc/07/94/66/366079466.db2.gz YEAVDVBCGMSAAH-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@H]2CCO2)C1 ZINC000638131750 352001728 /nfs/dbraw/zinc/00/17/28/352001728.db2.gz DRBJMQCOCROVAD-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638131750 352001730 /nfs/dbraw/zinc/00/17/30/352001730.db2.gz DRBJMQCOCROVAD-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638131750 352001732 /nfs/dbraw/zinc/00/17/32/352001732.db2.gz DRBJMQCOCROVAD-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC1CC(C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000638304912 352135541 /nfs/dbraw/zinc/13/55/41/352135541.db2.gz WEONEMPQDOWMCV-UHFFFAOYSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1cc(F)ccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414900215 352176589 /nfs/dbraw/zinc/17/65/89/352176589.db2.gz VTUBTVYIPIDGSR-CYBMUJFWSA-N 2 1 222.307 1.961 20 0 BDADMP COC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000411449929 191186991 /nfs/dbraw/zinc/18/69/91/191186991.db2.gz SUPHVJYTDJFYRV-UHFFFAOYSA-N 2 1 240.347 1.110 20 0 BDADMP COC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000411449929 191186993 /nfs/dbraw/zinc/18/69/93/191186993.db2.gz SUPHVJYTDJFYRV-UHFFFAOYSA-N 2 1 240.347 1.110 20 0 BDADMP Cn1cccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020360564 180730580 /nfs/dbraw/zinc/73/05/80/180730580.db2.gz MEAWUJLHGBPITC-UHFFFAOYSA-N 2 1 221.348 1.601 20 0 BDADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000638707693 352544064 /nfs/dbraw/zinc/54/40/64/352544064.db2.gz KGLFZJSXXZGMOU-RJZJGCCBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300368873 352561091 /nfs/dbraw/zinc/56/10/91/352561091.db2.gz UZZOZJXRNHKHMM-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP CC[C@H](C)N(C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300368873 352561093 /nfs/dbraw/zinc/56/10/93/352561093.db2.gz UZZOZJXRNHKHMM-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]1[C@@H](CO)CCC[N@H+]1CCCn1ccnc1 ZINC000412063485 191256627 /nfs/dbraw/zinc/25/66/27/191256627.db2.gz BEBWYOBGSOWITN-QWHCGFSZSA-N 2 1 237.347 1.366 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000357022733 188066090 /nfs/dbraw/zinc/06/60/90/188066090.db2.gz BTIHKGOBRACICP-HNNXBMFYSA-N 2 1 248.370 1.669 20 0 BDADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@]12CCOC2 ZINC000367458993 188072221 /nfs/dbraw/zinc/07/22/21/188072221.db2.gz PXEZBFYROKVCLR-CQSZACIVSA-N 2 1 238.375 1.727 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCOCC1 ZINC000045692148 353151531 /nfs/dbraw/zinc/15/15/31/353151531.db2.gz GQAZHERTOFLCJH-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+](CCCCCO)CC2 ZINC000374602777 188076279 /nfs/dbraw/zinc/07/62/79/188076279.db2.gz JBQFZPVFAVRGPP-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CCCCCO)CC2 ZINC000374602777 188076280 /nfs/dbraw/zinc/07/62/80/188076280.db2.gz JBQFZPVFAVRGPP-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000038011388 188082592 /nfs/dbraw/zinc/08/25/92/188082592.db2.gz DORGJFZYOVKMBS-OUJBWJOFSA-N 2 1 236.363 1.536 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000038011388 188082595 /nfs/dbraw/zinc/08/25/95/188082595.db2.gz DORGJFZYOVKMBS-OUJBWJOFSA-N 2 1 236.363 1.536 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356900695 188086733 /nfs/dbraw/zinc/08/67/33/188086733.db2.gz OZLHDYOOAOCCHS-DGCLKSJQSA-N 2 1 237.347 1.596 20 0 BDADMP Cc1ccc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000128916573 188142894 /nfs/dbraw/zinc/14/28/94/188142894.db2.gz WBOXIFDSNAEYOC-UHFFFAOYSA-N 2 1 207.321 1.431 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000300366729 188157046 /nfs/dbraw/zinc/15/70/46/188157046.db2.gz FWPKUXLHASIMMX-STQMWFEESA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000300366729 188157047 /nfs/dbraw/zinc/15/70/47/188157047.db2.gz FWPKUXLHASIMMX-STQMWFEESA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000300366729 188157049 /nfs/dbraw/zinc/15/70/49/188157049.db2.gz FWPKUXLHASIMMX-STQMWFEESA-N 3 1 227.396 1.434 20 0 BDADMP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000162303528 188159331 /nfs/dbraw/zinc/15/93/31/188159331.db2.gz XJNTYNTWUIGMLW-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000162303528 188159333 /nfs/dbraw/zinc/15/93/33/188159333.db2.gz XJNTYNTWUIGMLW-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP CC1(C)OCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335919878 188162874 /nfs/dbraw/zinc/16/28/74/188162874.db2.gz WNLFXRNVIKXYKL-CYBMUJFWSA-N 2 1 238.375 1.770 20 0 BDADMP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000236648000 188148864 /nfs/dbraw/zinc/14/88/64/188148864.db2.gz OEAUQWQCVKNWER-VXGBXAGGSA-N 2 1 241.379 1.055 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCOC1 ZINC000111319849 188176047 /nfs/dbraw/zinc/17/60/47/188176047.db2.gz IIOYRCDCRSGWFR-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP C([NH2+]C[C@@H]1CCCOC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000111319962 188176282 /nfs/dbraw/zinc/17/62/82/188176282.db2.gz CUKDYYXYEAOMDQ-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000165266158 353267492 /nfs/dbraw/zinc/26/74/92/353267492.db2.gz NTQLOZHOMIKFKW-LLVKDONJSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000250224449 353269835 /nfs/dbraw/zinc/26/98/35/353269835.db2.gz FFHSXKIHQBZPJP-YNEHKIRRSA-N 2 1 225.380 1.188 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000250224449 353269839 /nfs/dbraw/zinc/26/98/39/353269839.db2.gz FFHSXKIHQBZPJP-YNEHKIRRSA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000336523831 188231240 /nfs/dbraw/zinc/23/12/40/188231240.db2.gz BWIIAOYRFVFXNU-UHFFFAOYSA-N 2 1 247.386 1.936 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000336523831 188231242 /nfs/dbraw/zinc/23/12/42/188231242.db2.gz BWIIAOYRFVFXNU-UHFFFAOYSA-N 2 1 247.386 1.936 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1N(C)C ZINC000251798448 353287958 /nfs/dbraw/zinc/28/79/58/353287958.db2.gz NVEKYAWKJLHEMG-GXTWGEPZSA-N 2 1 239.407 1.258 20 0 BDADMP C(CN1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000094460855 188223125 /nfs/dbraw/zinc/22/31/25/188223125.db2.gz RPGQEPPOLHEAMO-ZIAGYGMSSA-N 2 1 237.391 1.156 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC000252862674 353311864 /nfs/dbraw/zinc/31/18/64/353311864.db2.gz ODVDMYXIPXTOQR-YIYPIFLZSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccnc1 ZINC000252895149 353312956 /nfs/dbraw/zinc/31/29/56/353312956.db2.gz YLCFGEXFHOZEFH-WCQYABFASA-N 2 1 219.332 1.511 20 0 BDADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1cccnc1 ZINC000252895149 353312959 /nfs/dbraw/zinc/31/29/59/353312959.db2.gz YLCFGEXFHOZEFH-WCQYABFASA-N 2 1 219.332 1.511 20 0 BDADMP CC(C)C[NH+]1CCN(CC2CC[NH2+]CC2)CC1 ZINC000055079588 353346379 /nfs/dbraw/zinc/34/63/79/353346379.db2.gz SFFHKYBRIXEFMP-UHFFFAOYSA-N 2 1 239.407 1.260 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422411 363218000 /nfs/dbraw/zinc/21/80/00/363218000.db2.gz YJVBPVVAPZAPNA-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP CC1CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000398971198 353400214 /nfs/dbraw/zinc/40/02/14/353400214.db2.gz WHOBCXONONKRLH-UHFFFAOYSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@](C)(C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113234 353710384 /nfs/dbraw/zinc/71/03/84/353710384.db2.gz LMEDGOZJHHTJGE-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@](C)(C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)OC ZINC000639113234 353710386 /nfs/dbraw/zinc/71/03/86/353710386.db2.gz LMEDGOZJHHTJGE-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@](C)(C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)OC ZINC000639113234 353710388 /nfs/dbraw/zinc/71/03/88/353710388.db2.gz LMEDGOZJHHTJGE-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000220185173 353820292 /nfs/dbraw/zinc/82/02/92/353820292.db2.gz GEOBDGDGPOUKDN-AAEUAGOBSA-N 2 1 236.363 1.462 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000220185173 353820295 /nfs/dbraw/zinc/82/02/95/353820295.db2.gz GEOBDGDGPOUKDN-AAEUAGOBSA-N 2 1 236.363 1.462 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](C[C@H]3CCCOC3)[C@@H]2C1 ZINC000343447888 353891574 /nfs/dbraw/zinc/89/15/74/353891574.db2.gz KJCUFQSWHRKCNQ-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCCOC3)[C@@H]2C1 ZINC000343447888 353891579 /nfs/dbraw/zinc/89/15/79/353891579.db2.gz KJCUFQSWHRKCNQ-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCCOC3)[C@@H]2C1 ZINC000343447888 353891582 /nfs/dbraw/zinc/89/15/82/353891582.db2.gz KJCUFQSWHRKCNQ-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CCCOC3)[C@@H]2C1 ZINC000343447888 353891586 /nfs/dbraw/zinc/89/15/86/353891586.db2.gz KJCUFQSWHRKCNQ-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CCCOC3)[C@@H]2C1 ZINC000343447888 353891590 /nfs/dbraw/zinc/89/15/90/353891590.db2.gz KJCUFQSWHRKCNQ-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343754406 353972418 /nfs/dbraw/zinc/97/24/18/353972418.db2.gz VJQRQUMRKHKHLR-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP CCOCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343754406 353972420 /nfs/dbraw/zinc/97/24/20/353972420.db2.gz VJQRQUMRKHKHLR-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000343847429 354020928 /nfs/dbraw/zinc/02/09/28/354020928.db2.gz USNHPSVOCIXTPK-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000343847429 354020932 /nfs/dbraw/zinc/02/09/32/354020932.db2.gz USNHPSVOCIXTPK-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP C=Cn1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000235712145 358485314 /nfs/dbraw/zinc/48/53/14/358485314.db2.gz WAIUHRNTJILVOM-AAEUAGOBSA-N 2 1 234.347 1.556 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000344766387 354357360 /nfs/dbraw/zinc/35/73/60/354357360.db2.gz XYNVRTIJLFCUAS-KGLIPLIRSA-N 2 1 248.374 1.747 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000167555032 134011319 /nfs/dbraw/zinc/01/13/19/134011319.db2.gz XXCHPIHEZIFPIM-AVGNSLFASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1nccn1C ZINC000334768899 354590178 /nfs/dbraw/zinc/59/01/78/354590178.db2.gz NFRGLUNECRZRQE-UWVGGRQHSA-N 2 1 245.330 1.351 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639204159 354620608 /nfs/dbraw/zinc/62/06/08/354620608.db2.gz PKGMTXJOGBVMSN-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000639204159 354620611 /nfs/dbraw/zinc/62/06/11/354620611.db2.gz PKGMTXJOGBVMSN-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204159 354620612 /nfs/dbraw/zinc/62/06/12/354620612.db2.gz PKGMTXJOGBVMSN-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)n2C)[C@@H]1C ZINC000335086818 354621352 /nfs/dbraw/zinc/62/13/52/354621352.db2.gz OLRYSEDCNKPEDI-GHMZBOCLSA-N 2 1 236.363 1.716 20 0 BDADMP C[C@@]1(CCCO)CCC[N@H+]1CCn1ccnc1 ZINC000345955696 354820065 /nfs/dbraw/zinc/82/00/65/354820065.db2.gz KZDHSTZWHBWUEM-ZDUSSCGKSA-N 2 1 237.347 1.510 20 0 BDADMP CCc1cnc(C[NH2+]C[C@H](C)C[NH3+])s1 ZINC000234149127 363415976 /nfs/dbraw/zinc/41/59/76/363415976.db2.gz RJJZNDQKIRQWIR-MRVPVSSYSA-N 2 1 213.350 1.390 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C[NH2+]C)CCO1 ZINC000346678600 355010013 /nfs/dbraw/zinc/01/00/13/355010013.db2.gz MEEKTWBJDDQKBM-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP COc1ccsc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346686651 355013115 /nfs/dbraw/zinc/01/31/15/355013115.db2.gz RZPQPPOIOSDISU-NXEZZACHSA-N 2 1 240.372 1.926 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000346633551 355014879 /nfs/dbraw/zinc/01/48/79/355014879.db2.gz FMJFVAYXTNKPBS-MNOVXSKESA-N 2 1 248.326 1.584 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000346645630 355017243 /nfs/dbraw/zinc/01/72/43/355017243.db2.gz DZMNFRCXGUYGDQ-YIYPIFLZSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000335182183 355079402 /nfs/dbraw/zinc/07/94/02/355079402.db2.gz ZUCQPQAKGNXYCN-RYUDHWBXSA-N 2 1 205.305 1.359 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)[C@H]2C)CC[N@H+]1C ZINC000346803366 355109077 /nfs/dbraw/zinc/10/90/77/355109077.db2.gz VJOMGJCGGFCHSX-XJFOESAGSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000346803366 355109081 /nfs/dbraw/zinc/10/90/81/355109081.db2.gz VJOMGJCGGFCHSX-XJFOESAGSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC[NH+]1C ZINC000346803366 355109085 /nfs/dbraw/zinc/10/90/85/355109085.db2.gz VJOMGJCGGFCHSX-XJFOESAGSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346842281 355134121 /nfs/dbraw/zinc/13/41/21/355134121.db2.gz IBDKRYBBXPHVNW-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346842281 355134123 /nfs/dbraw/zinc/13/41/23/355134123.db2.gz IBDKRYBBXPHVNW-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346847439 355136714 /nfs/dbraw/zinc/13/67/14/355136714.db2.gz MMYREKXQFBMBMX-IACUBPJLSA-N 2 1 248.374 1.586 20 0 BDADMP CCCC[N@@H+](CCOC)C[C@@H]1CCC[NH2+]C1 ZINC000346853632 355139172 /nfs/dbraw/zinc/13/91/72/355139172.db2.gz LWDGQXHDTBDKFW-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP C[N@@H+](CCc1ccccc1O)C[C@H]1CCC[NH2+]C1 ZINC000346975531 355209076 /nfs/dbraw/zinc/20/90/76/355209076.db2.gz JHPCGXDWADDHDN-ZDUSSCGKSA-N 2 1 248.370 1.866 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000346973907 355209131 /nfs/dbraw/zinc/20/91/31/355209131.db2.gz IMHYYNQKJWRSLO-VXGBXAGGSA-N 2 1 227.396 1.386 20 0 BDADMP C[N@@H+](C[C@H]1CCC[C@@H]1O)CC1CC[NH2+]CC1 ZINC000346989424 355189286 /nfs/dbraw/zinc/18/92/86/355189286.db2.gz RJPIZXXFOCGQJG-OLZOCXBDSA-N 2 1 226.364 1.079 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000347005398 355201949 /nfs/dbraw/zinc/20/19/49/355201949.db2.gz PFIXQZHRGQTQTN-KBPBESRZSA-N 2 1 239.407 1.260 20 0 BDADMP CC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000412979786 191348542 /nfs/dbraw/zinc/34/85/42/191348542.db2.gz VUWUWJBOTLRLRI-RWMBFGLXSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000412979786 191348544 /nfs/dbraw/zinc/34/85/44/191348544.db2.gz VUWUWJBOTLRLRI-RWMBFGLXSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000412979786 191348546 /nfs/dbraw/zinc/34/85/46/191348546.db2.gz VUWUWJBOTLRLRI-RWMBFGLXSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000412979786 191348549 /nfs/dbraw/zinc/34/85/49/191348549.db2.gz VUWUWJBOTLRLRI-RWMBFGLXSA-N 2 1 228.380 1.826 20 0 BDADMP CO[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000639256710 355300201 /nfs/dbraw/zinc/30/02/01/355300201.db2.gz DTRLFVRGCCDLHT-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000639256709 355300216 /nfs/dbraw/zinc/30/02/16/355300216.db2.gz DTRLFVRGCCDLHT-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000372692415 181189672 /nfs/dbraw/zinc/18/96/72/181189672.db2.gz HEYZOPCDSUAXHT-ZDUSSCGKSA-N 2 1 246.358 1.177 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414698590 191548154 /nfs/dbraw/zinc/54/81/54/191548154.db2.gz DFNABZFIMCPKBT-JHJVBQTASA-N 2 1 242.407 1.713 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336022273 134056084 /nfs/dbraw/zinc/05/60/84/134056084.db2.gz JYIJRXUYCVDQQZ-NWDGAFQWSA-N 2 1 249.358 1.587 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336022273 134056085 /nfs/dbraw/zinc/05/60/85/134056085.db2.gz JYIJRXUYCVDQQZ-NWDGAFQWSA-N 2 1 249.358 1.587 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000216026804 355797094 /nfs/dbraw/zinc/79/70/94/355797094.db2.gz ICLRNIILWSLOKQ-VXGBXAGGSA-N 2 1 234.343 1.864 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@H]1[NH3+] ZINC000336055832 134066350 /nfs/dbraw/zinc/06/63/50/134066350.db2.gz PIQNPUOWVIIDOJ-SMDDNHRTSA-N 2 1 245.370 1.824 20 0 BDADMP CO[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351331654 355980449 /nfs/dbraw/zinc/98/04/49/355980449.db2.gz RUVLSNBPZLYNGZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351331654 355980450 /nfs/dbraw/zinc/98/04/50/355980450.db2.gz RUVLSNBPZLYNGZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351331654 355980452 /nfs/dbraw/zinc/98/04/52/355980452.db2.gz RUVLSNBPZLYNGZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CN(C)c1nc(N(C)CC[N@H+](C)C2CC2)cc[nH+]1 ZINC000351540030 356012304 /nfs/dbraw/zinc/01/23/04/356012304.db2.gz URTSWCMBNMLGEQ-UHFFFAOYSA-N 2 1 249.362 1.073 20 0 BDADMP CN(C)c1nc(N(C)CC[N@@H+](C)C2CC2)cc[nH+]1 ZINC000351540030 356012307 /nfs/dbraw/zinc/01/23/07/356012307.db2.gz URTSWCMBNMLGEQ-UHFFFAOYSA-N 2 1 249.362 1.073 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnn(C)c1 ZINC000335919117 356166243 /nfs/dbraw/zinc/16/62/43/356166243.db2.gz IKJIXAQIBITZQU-WCQYABFASA-N 2 1 236.363 1.192 20 0 BDADMP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnn(C)c1 ZINC000335919117 356166246 /nfs/dbraw/zinc/16/62/46/356166246.db2.gz IKJIXAQIBITZQU-WCQYABFASA-N 2 1 236.363 1.192 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420265198 192192500 /nfs/dbraw/zinc/19/25/00/192192500.db2.gz BHZKFSGFFIPMAY-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420265198 192192501 /nfs/dbraw/zinc/19/25/01/192192501.db2.gz BHZKFSGFFIPMAY-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000420318533 192194893 /nfs/dbraw/zinc/19/48/93/192194893.db2.gz QCUAZTXAQCNBOP-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000420300849 192206890 /nfs/dbraw/zinc/20/68/90/192206890.db2.gz VHXNZFLHNNDHQI-GFCCVEGCSA-N 2 1 224.373 1.961 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000420318532 192196138 /nfs/dbraw/zinc/19/61/38/192196138.db2.gz QCUAZTXAQCNBOP-BFHYXJOUSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000420278356 192198846 /nfs/dbraw/zinc/19/88/46/192198846.db2.gz IZZSFAAITUELEW-NXEZZACHSA-N 2 1 245.330 1.309 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000336119419 134089695 /nfs/dbraw/zinc/08/96/95/134089695.db2.gz NAQMRNHHZWFPMM-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H](C[NH3+])[N@H+](C)CC[C@H]1CCCCO1 ZINC000420285715 192199343 /nfs/dbraw/zinc/19/93/43/192199343.db2.gz FPBXDLXCXNGARE-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H](C[NH3+])[N@@H+](C)CC[C@H]1CCCCO1 ZINC000420285715 192199345 /nfs/dbraw/zinc/19/93/45/192199345.db2.gz FPBXDLXCXNGARE-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H](C[NH3+])[N@H+](C)CC[C@@H]1CCCCO1 ZINC000420285714 192199555 /nfs/dbraw/zinc/19/95/55/192199555.db2.gz FPBXDLXCXNGARE-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H](C[NH3+])[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000420285714 192199558 /nfs/dbraw/zinc/19/95/58/192199558.db2.gz FPBXDLXCXNGARE-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000420292048 192202627 /nfs/dbraw/zinc/20/26/27/192202627.db2.gz LFPLFVLWHJEFGY-CYBMUJFWSA-N 2 1 233.359 1.740 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000420292048 192202630 /nfs/dbraw/zinc/20/26/30/192202630.db2.gz LFPLFVLWHJEFGY-CYBMUJFWSA-N 2 1 233.359 1.740 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000336120974 134091109 /nfs/dbraw/zinc/09/11/09/134091109.db2.gz GRXLJLRHXGXXKA-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP c1cnn([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000420315764 192213280 /nfs/dbraw/zinc/21/32/80/192213280.db2.gz LLADMKJTPKRDFY-KBPBESRZSA-N 2 1 248.374 1.520 20 0 BDADMP C[NH2+]CCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336118 192214901 /nfs/dbraw/zinc/21/49/01/192214901.db2.gz LHINNPMBDUALCT-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338922 192215715 /nfs/dbraw/zinc/21/57/15/192215715.db2.gz YHANMGKEPJOHEE-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338918 192215744 /nfs/dbraw/zinc/21/57/44/192215744.db2.gz YHANMGKEPJOHEE-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@H]1CCC[NH2+]C1 ZINC000420346055 192215989 /nfs/dbraw/zinc/21/59/89/192215989.db2.gz XIHUHYAFIWRHDQ-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@H]1CCC[NH2+]C1 ZINC000420346055 192215991 /nfs/dbraw/zinc/21/59/91/192215991.db2.gz XIHUHYAFIWRHDQ-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338945 192216635 /nfs/dbraw/zinc/21/66/35/192216635.db2.gz YIXUYSQYHDNWJA-RDBSUJKOSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349703 192217334 /nfs/dbraw/zinc/21/73/34/192217334.db2.gz DRFJXNPPYPHVBS-CABZTGNLSA-N 2 1 226.295 1.138 20 0 BDADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349703 192217337 /nfs/dbraw/zinc/21/73/37/192217337.db2.gz DRFJXNPPYPHVBS-CABZTGNLSA-N 2 1 226.295 1.138 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639512735 356350003 /nfs/dbraw/zinc/35/00/03/356350003.db2.gz XMQFXBNAYAJRFE-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639512735 356350005 /nfs/dbraw/zinc/35/00/05/356350005.db2.gz XMQFXBNAYAJRFE-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639512735 356350009 /nfs/dbraw/zinc/35/00/09/356350009.db2.gz XMQFXBNAYAJRFE-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420306996 192208536 /nfs/dbraw/zinc/20/85/36/192208536.db2.gz LOQWOKNKEHXERE-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420305235 192209340 /nfs/dbraw/zinc/20/93/40/192209340.db2.gz PEPSHRYMUBDABT-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]CC[N@H+](CCO)C[C@H]1CCCC(F)(F)C1 ZINC000420306432 192209628 /nfs/dbraw/zinc/20/96/28/192209628.db2.gz KZXJXDCGZPXRRV-JTQLQIEISA-N 2 1 236.306 1.065 20 0 BDADMP [NH3+]CC[N@@H+](CCO)C[C@H]1CCCC(F)(F)C1 ZINC000420306432 192209630 /nfs/dbraw/zinc/20/96/30/192209630.db2.gz KZXJXDCGZPXRRV-JTQLQIEISA-N 2 1 236.306 1.065 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](CN)C1CC1 ZINC000420312872 192210204 /nfs/dbraw/zinc/21/02/04/192210204.db2.gz IUWDNXLDHXPAAH-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP CN(CC[C@H]1CCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000420312872 192210206 /nfs/dbraw/zinc/21/02/06/192210206.db2.gz IUWDNXLDHXPAAH-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420312813 192210715 /nfs/dbraw/zinc/21/07/15/192210715.db2.gz XITUOUAFCMQOMR-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420312954 192211568 /nfs/dbraw/zinc/21/15/68/192211568.db2.gz JHWFDLRXPSTUHM-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccncc3)C[C@H]12 ZINC000420315702 192212138 /nfs/dbraw/zinc/21/21/38/192212138.db2.gz XGDXWIFVEGIEGX-SOUVJXGZSA-N 2 1 245.370 1.683 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324981 192229961 /nfs/dbraw/zinc/22/99/61/192229961.db2.gz HTICSNMMVPMNRA-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420354990 192220298 /nfs/dbraw/zinc/22/02/98/192220298.db2.gz PDDDYQKKFQNGSZ-WCBMZHEXSA-N 2 1 244.285 1.277 20 0 BDADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420354990 192220300 /nfs/dbraw/zinc/22/03/00/192220300.db2.gz PDDDYQKKFQNGSZ-WCBMZHEXSA-N 2 1 244.285 1.277 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420354173 192220450 /nfs/dbraw/zinc/22/04/50/192220450.db2.gz BOXXJTNZILQNOO-GHMZBOCLSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420354173 192220451 /nfs/dbraw/zinc/22/04/51/192220451.db2.gz BOXXJTNZILQNOO-GHMZBOCLSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[C@@H]1CCCC[N@@H+](CCOCC[NH3+])C1 ZINC000420363719 192223434 /nfs/dbraw/zinc/22/34/34/192223434.db2.gz CCKUFGMSSKCHIX-ZDUSSCGKSA-N 2 1 244.379 1.100 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000420367285 192225033 /nfs/dbraw/zinc/22/50/33/192225033.db2.gz VIIJQURMRCMNSY-CQSZACIVSA-N 2 1 240.391 1.733 20 0 BDADMP COCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420383698 192234712 /nfs/dbraw/zinc/23/47/12/192234712.db2.gz DNRSSHIOGOYZMU-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1ccc(CC[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420396936 192236099 /nfs/dbraw/zinc/23/60/99/192236099.db2.gz WVHYHZPBNMEFEA-OAHLLOKOSA-N 2 1 248.370 1.587 20 0 BDADMP Cc1ccc(CC[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420396936 192236102 /nfs/dbraw/zinc/23/61/02/192236102.db2.gz WVHYHZPBNMEFEA-OAHLLOKOSA-N 2 1 248.370 1.587 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000420393212 192236245 /nfs/dbraw/zinc/23/62/45/192236245.db2.gz BXKRCELARWNOFJ-KGLIPLIRSA-N 2 1 218.344 1.946 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420396984 192237214 /nfs/dbraw/zinc/23/72/14/192237214.db2.gz FPLZBMVWRNTCCW-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP [NH3+]CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420397816 192238384 /nfs/dbraw/zinc/23/83/84/192238384.db2.gz GIEZOTJTCLSTET-OLZOCXBDSA-N 2 1 220.316 1.313 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420412073 192238901 /nfs/dbraw/zinc/23/89/01/192238901.db2.gz SAMALEPZILWFLF-YUTCNCBUSA-N 2 1 234.343 1.701 20 0 BDADMP FCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420409949 192239092 /nfs/dbraw/zinc/23/90/92/192239092.db2.gz XRTGPZVEICGTFY-RYUDHWBXSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000420412512 192241207 /nfs/dbraw/zinc/24/12/07/192241207.db2.gz SGYNQWJREWEEJN-FPMFFAJLSA-N 2 1 233.359 1.369 20 0 BDADMP CC[C@H](C)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377076 192231457 /nfs/dbraw/zinc/23/14/57/192231457.db2.gz RNYCDYNOYVAPPM-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOCC1CC1 ZINC000420377308 192231966 /nfs/dbraw/zinc/23/19/66/192231966.db2.gz WADBCHWBTVBJGY-NQBHXWOUSA-N 2 1 226.364 1.389 20 0 BDADMP O[C@H]1C[C@@H](C[N@H+]2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000420942427 192289080 /nfs/dbraw/zinc/28/90/80/192289080.db2.gz VGZKJLWZACNUJE-MBNYWOFBSA-N 2 1 248.326 1.306 20 0 BDADMP Cc1nccn1CCN(C)C[C@H]1CCC[N@H+]1C ZINC000421015243 192302128 /nfs/dbraw/zinc/30/21/28/192302128.db2.gz WYZLYYCVXWTMBO-CYBMUJFWSA-N 2 1 236.363 1.218 20 0 BDADMP Cc1[nH+]ccn1CCN(C)C[C@H]1CCC[N@@H+]1C ZINC000421015243 192302130 /nfs/dbraw/zinc/30/21/30/192302130.db2.gz WYZLYYCVXWTMBO-CYBMUJFWSA-N 2 1 236.363 1.218 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423131477 192580541 /nfs/dbraw/zinc/58/05/41/192580541.db2.gz NZFIAGDSKLDWIB-GHMZBOCLSA-N 2 1 214.353 1.247 20 0 BDADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCC2)CC1(C)C ZINC000623339884 356737838 /nfs/dbraw/zinc/73/78/38/356737838.db2.gz NZDCERUBLJSSJQ-ZDUSSCGKSA-N 2 1 239.407 1.545 20 0 BDADMP CC[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000355453530 356760461 /nfs/dbraw/zinc/76/04/61/356760461.db2.gz HEEGYTPGHPFZOX-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cncn1C ZINC000353568425 538750210 /nfs/dbraw/zinc/75/02/10/538750210.db2.gz JACIKUCDJGBYSH-NTZNESFSSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cncn1C ZINC000353568425 538750212 /nfs/dbraw/zinc/75/02/12/538750212.db2.gz JACIKUCDJGBYSH-NTZNESFSSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000582295310 357028620 /nfs/dbraw/zinc/02/86/20/357028620.db2.gz WBQVDPGBACOUTH-DGCLKSJQSA-N 2 1 225.380 1.106 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000582306188 357043621 /nfs/dbraw/zinc/04/36/21/357043621.db2.gz FLXAQLXAMJNZSW-NWDGAFQWSA-N 2 1 216.369 1.325 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC000389614525 357002788 /nfs/dbraw/zinc/00/27/88/357002788.db2.gz FYIKYOYKFABFGN-VOAKCMCISA-N 2 1 210.365 1.962 20 0 BDADMP CC[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC)CCS1 ZINC000390587760 357102388 /nfs/dbraw/zinc/10/23/88/357102388.db2.gz RJJOPLMHXPVDEI-VXGBXAGGSA-N 2 1 246.420 1.126 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000390678168 357111135 /nfs/dbraw/zinc/11/11/35/357111135.db2.gz YMCQCQMFIIHPGQ-QNWHQSFQSA-N 2 1 226.364 1.484 20 0 BDADMP Cn1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)n1 ZINC000582421119 357143859 /nfs/dbraw/zinc/14/38/59/357143859.db2.gz XAIDNABFEVDLDA-UHFFFAOYSA-N 2 1 230.315 1.169 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCOC1 ZINC000221988949 357180930 /nfs/dbraw/zinc/18/09/30/357180930.db2.gz DEOBRWRSTKWYAF-YNEHKIRRSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000393337401 357281399 /nfs/dbraw/zinc/28/13/99/357281399.db2.gz UIRILFSMGCTAND-MELADBBJSA-N 2 1 240.391 1.469 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1C ZINC000393764725 357297817 /nfs/dbraw/zinc/29/78/17/357297817.db2.gz AUSOWAMRRSVFFI-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1C ZINC000393764725 357297821 /nfs/dbraw/zinc/29/78/21/357297821.db2.gz AUSOWAMRRSVFFI-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1C ZINC000393764725 357297826 /nfs/dbraw/zinc/29/78/26/357297826.db2.gz AUSOWAMRRSVFFI-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1C ZINC000393764725 357297830 /nfs/dbraw/zinc/29/78/30/357297830.db2.gz AUSOWAMRRSVFFI-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP COC1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000168395750 134197909 /nfs/dbraw/zinc/19/79/09/134197909.db2.gz YIJYBQHOMCOFGD-ABXWRUBCSA-N 2 1 240.391 1.874 20 0 BDADMP COC1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000168395750 134197910 /nfs/dbraw/zinc/19/79/10/134197910.db2.gz YIJYBQHOMCOFGD-ABXWRUBCSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1ccc(F)c(C[N@H+](C)CCC[NH3+])c1 ZINC000084934190 134197985 /nfs/dbraw/zinc/19/79/85/134197985.db2.gz JQAVTIOJFZDDAL-UHFFFAOYSA-N 2 1 210.296 1.915 20 0 BDADMP Cc1ccc(F)c(C[N@@H+](C)CCC[NH3+])c1 ZINC000084934190 134197986 /nfs/dbraw/zinc/19/79/86/134197986.db2.gz JQAVTIOJFZDDAL-UHFFFAOYSA-N 2 1 210.296 1.915 20 0 BDADMP C[C@@H](c1nc(C[NH3+])no1)[C@@H]([NH3+])c1ccccc1 ZINC000582486678 357318648 /nfs/dbraw/zinc/31/86/48/357318648.db2.gz OKUKQGSEXMLKQU-LDYMZIIASA-N 2 1 232.287 1.332 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CCO)C(C)C)CC1 ZINC000168375631 134197457 /nfs/dbraw/zinc/19/74/57/134197457.db2.gz YYYLTDBJKYLDKC-CYBMUJFWSA-N 2 1 228.380 1.467 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000423295027 192683323 /nfs/dbraw/zinc/68/33/23/192683323.db2.gz DGWWZODXGRARCI-JHJVBQTASA-N 2 1 228.380 1.909 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000423298222 192687139 /nfs/dbraw/zinc/68/71/39/192687139.db2.gz NRVCNWSCHPCZNY-IJLUTSLNSA-N 2 1 213.369 1.044 20 0 BDADMP CC1(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000583179639 357503376 /nfs/dbraw/zinc/50/33/76/357503376.db2.gz KJHFOHXATLJLAA-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000131716344 325179139 /nfs/dbraw/zinc/17/91/39/325179139.db2.gz SJMMXOGDWAMKGI-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000232575733 357672051 /nfs/dbraw/zinc/67/20/51/357672051.db2.gz WYCZAHQUJGVKOA-UONOGXRCSA-N 2 1 246.358 1.700 20 0 BDADMP C=Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000232575733 357672053 /nfs/dbraw/zinc/67/20/53/357672053.db2.gz WYCZAHQUJGVKOA-UONOGXRCSA-N 2 1 246.358 1.700 20 0 BDADMP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC000583263196 357738649 /nfs/dbraw/zinc/73/86/49/357738649.db2.gz OGMCMQMMJZGUKN-IUODEOHRSA-N 2 1 247.386 1.623 20 0 BDADMP C[C@H]1CSC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000397898662 357792928 /nfs/dbraw/zinc/79/29/28/357792928.db2.gz RJPANCVZYBHXSD-JQWIXIFHSA-N 2 1 239.388 1.694 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000191781875 357795903 /nfs/dbraw/zinc/79/59/03/357795903.db2.gz IGJPPZYONZYZAE-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000191781875 357795905 /nfs/dbraw/zinc/79/59/05/357795905.db2.gz IGJPPZYONZYZAE-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192766645 357850874 /nfs/dbraw/zinc/85/08/74/357850874.db2.gz BHGUNCJDHYMXCJ-OUCADQQQSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000192766645 357850877 /nfs/dbraw/zinc/85/08/77/357850877.db2.gz BHGUNCJDHYMXCJ-OUCADQQQSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000192766645 357850879 /nfs/dbraw/zinc/85/08/79/357850879.db2.gz BHGUNCJDHYMXCJ-OUCADQQQSA-N 2 1 238.375 1.316 20 0 BDADMP CCC1([NH+](C)C)CC[NH+]([C@H](C)COC)CC1 ZINC000640016080 358069239 /nfs/dbraw/zinc/06/92/39/358069239.db2.gz SESYTDNDDAKRBV-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP CCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000038124786 358117244 /nfs/dbraw/zinc/11/72/44/358117244.db2.gz QBBDWXRCRLCXNE-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H](C)C1 ZINC000631669176 358183303 /nfs/dbraw/zinc/18/33/03/358183303.db2.gz HIPINKUMHUPDSN-FVCCEPFGSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222989872 358217202 /nfs/dbraw/zinc/21/72/02/358217202.db2.gz CESWUKKBVMLPFO-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222989872 358217204 /nfs/dbraw/zinc/21/72/04/358217204.db2.gz CESWUKKBVMLPFO-JHJVBQTASA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000222989872 358217208 /nfs/dbraw/zinc/21/72/08/358217208.db2.gz CESWUKKBVMLPFO-JHJVBQTASA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000040622107 358243678 /nfs/dbraw/zinc/24/36/78/358243678.db2.gz ACVDGWFKABYGEV-ZDUSSCGKSA-N 2 1 233.359 1.902 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000040622107 358243679 /nfs/dbraw/zinc/24/36/79/358243679.db2.gz ACVDGWFKABYGEV-ZDUSSCGKSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000226969396 358346617 /nfs/dbraw/zinc/34/66/17/358346617.db2.gz QEDBWNVHVXBPST-SRVKXCTJSA-N 2 1 234.347 1.597 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000226969396 358346618 /nfs/dbraw/zinc/34/66/18/358346618.db2.gz QEDBWNVHVXBPST-SRVKXCTJSA-N 2 1 234.347 1.597 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000227071103 358348305 /nfs/dbraw/zinc/34/83/05/358348305.db2.gz QYZRBZHJMVXFMN-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173601044 134276122 /nfs/dbraw/zinc/27/61/22/134276122.db2.gz OCPOSKNVEZFTKM-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCc1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000227744652 358363229 /nfs/dbraw/zinc/36/32/29/358363229.db2.gz LRXRTZXVQWSMBJ-UHFFFAOYSA-N 2 1 222.332 1.614 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOc1cccc(Cl)c1 ZINC000133222899 358748859 /nfs/dbraw/zinc/74/88/59/358748859.db2.gz DLLVDOYYEXZRCR-UHFFFAOYSA-N 2 1 242.750 1.999 20 0 BDADMP C[NH2+][C@@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000214054796 358753361 /nfs/dbraw/zinc/75/33/61/358753361.db2.gz OYYGSOKKMHBKSM-LLVKDONJSA-N 2 1 235.331 1.192 20 0 BDADMP C[NH2+]C[C@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000214074893 358753680 /nfs/dbraw/zinc/75/36/80/358753680.db2.gz VQMAVPUXJMHPEJ-GFCCVEGCSA-N 2 1 249.358 1.440 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCCC[C@@H]2C[NH3+])c1 ZINC000214125605 358759436 /nfs/dbraw/zinc/75/94/36/358759436.db2.gz UVKZOHGIJQDSKA-CYBMUJFWSA-N 2 1 249.358 1.712 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC2)[C@H](C)C1 ZINC000132687427 358732972 /nfs/dbraw/zinc/73/29/72/358732972.db2.gz KZACCRYISZBHSO-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCCC1 ZINC000052337032 358779837 /nfs/dbraw/zinc/77/98/37/358779837.db2.gz JJIVZUIKLOOHGK-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP COCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578323818 366513242 /nfs/dbraw/zinc/51/32/42/366513242.db2.gz XUOCDGMRCDMDIK-CYBMUJFWSA-N 2 1 226.364 1.489 20 0 BDADMP FC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000308857018 491139108 /nfs/dbraw/zinc/13/91/08/491139108.db2.gz RUIUQWDPGPZDAS-WDEREUQCSA-N 2 1 212.312 1.705 20 0 BDADMP FC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000308857018 491139109 /nfs/dbraw/zinc/13/91/09/491139109.db2.gz RUIUQWDPGPZDAS-WDEREUQCSA-N 2 1 212.312 1.705 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000136082977 325440569 /nfs/dbraw/zinc/44/05/69/325440569.db2.gz SMSPIVDHTJKIPH-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423358838 192730342 /nfs/dbraw/zinc/73/03/42/192730342.db2.gz CENPAJAVCWZBCI-SRVKXCTJSA-N 2 1 234.347 1.706 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000247186354 359200745 /nfs/dbraw/zinc/20/07/45/359200745.db2.gz VMTVFTDPBUCSTM-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623439661 359332649 /nfs/dbraw/zinc/33/26/49/359332649.db2.gz SDRXRPPLOUKIOF-ZDUSSCGKSA-N 2 1 235.375 1.988 20 0 BDADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423530155 192805473 /nfs/dbraw/zinc/80/54/73/192805473.db2.gz YJDFQLIQYAVWSJ-QWHCGFSZSA-N 2 1 241.423 1.694 20 0 BDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCO)C1 ZINC000081636114 359609358 /nfs/dbraw/zinc/60/93/58/359609358.db2.gz ZBEXXIRFEITADC-ZDUSSCGKSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCO)C1 ZINC000081636114 359609362 /nfs/dbraw/zinc/60/93/62/359609362.db2.gz ZBEXXIRFEITADC-ZDUSSCGKSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCO)C1 ZINC000081636114 359609364 /nfs/dbraw/zinc/60/93/64/359609364.db2.gz ZBEXXIRFEITADC-ZDUSSCGKSA-N 2 1 226.364 1.033 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623470274 359770419 /nfs/dbraw/zinc/77/04/19/359770419.db2.gz HBARHLMYAWJOSD-OLZOCXBDSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000578379530 366546030 /nfs/dbraw/zinc/54/60/30/366546030.db2.gz BQGZRHKXZGDGKB-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@H](F)C1 ZINC000451203480 202380040 /nfs/dbraw/zinc/38/00/40/202380040.db2.gz ZDQDQWXAYDNPFX-NSHDSACASA-N 2 1 211.284 1.625 20 0 BDADMP CCCOc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000578619045 366608490 /nfs/dbraw/zinc/60/84/90/366608490.db2.gz KUGAGUMIKVXQMA-LLVKDONJSA-N 2 1 222.332 1.912 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)CC2CC2)CC1(C)C ZINC000623472214 360048706 /nfs/dbraw/zinc/04/87/06/360048706.db2.gz ILIUDPLBKDPTTP-OLZOCXBDSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089424649 360019384 /nfs/dbraw/zinc/01/93/84/360019384.db2.gz WIUIKPHUUCAQNV-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP C1C[C@@H]2C[C@H]([NH2+]C3CCOCC3)CC[N@H+]2C1 ZINC000090714578 360084893 /nfs/dbraw/zinc/08/48/93/360084893.db2.gz BVZBHRHPPHGKLX-CHWSQXEVSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2)CC[N@@H+]1C ZINC000090720600 360085406 /nfs/dbraw/zinc/08/54/06/360085406.db2.gz WSRLGGGINVONTI-DGCLKSJQSA-N 2 1 219.332 1.654 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2)CC[N@H+]1C ZINC000090720600 360085408 /nfs/dbraw/zinc/08/54/08/360085408.db2.gz WSRLGGGINVONTI-DGCLKSJQSA-N 2 1 219.332 1.654 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2=CCCOC2)C1 ZINC000093770601 360274176 /nfs/dbraw/zinc/27/41/76/360274176.db2.gz HTVXYTHSXVPXMV-ZDUSSCGKSA-N 2 1 238.375 1.607 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000093770601 360274180 /nfs/dbraw/zinc/27/41/80/360274180.db2.gz HTVXYTHSXVPXMV-ZDUSSCGKSA-N 2 1 238.375 1.607 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000093770601 360274183 /nfs/dbraw/zinc/27/41/83/360274183.db2.gz HTVXYTHSXVPXMV-ZDUSSCGKSA-N 2 1 238.375 1.607 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000094948728 360328636 /nfs/dbraw/zinc/32/86/36/360328636.db2.gz KRIBUFXQKPPORH-IGQOVBAYSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000097928130 360382644 /nfs/dbraw/zinc/38/26/44/360382644.db2.gz VHLZMXIQTSRCKU-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156249945 360956748 /nfs/dbraw/zinc/95/67/48/360956748.db2.gz QYHZUSHVHKXLRS-TUAOUCFPSA-N 2 1 214.353 1.484 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156249945 360956753 /nfs/dbraw/zinc/95/67/53/360956753.db2.gz QYHZUSHVHKXLRS-TUAOUCFPSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000629407617 361056024 /nfs/dbraw/zinc/05/60/24/361056024.db2.gz FQSIWXBELHOCDV-SGMGOOAPSA-N 2 1 246.354 1.893 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000629388725 361035511 /nfs/dbraw/zinc/03/55/11/361035511.db2.gz PFRRPFYLMRLMFJ-CABNGKKXSA-N 2 1 237.391 1.199 20 0 BDADMP CCc1nc(C[NH2+]CCOCCC[NH3+])cs1 ZINC000629399341 361050362 /nfs/dbraw/zinc/05/03/62/361050362.db2.gz PZDWFAYPIXYWOT-UHFFFAOYSA-N 2 1 243.376 1.161 20 0 BDADMP C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@H+]1C1CC1 ZINC000629411963 361060845 /nfs/dbraw/zinc/06/08/45/361060845.db2.gz JEIWQKPBBJEQSF-MROQNXINSA-N 2 1 237.391 1.342 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000629514098 361111521 /nfs/dbraw/zinc/11/15/21/361111521.db2.gz JQDIRZKMZFSYSJ-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000629514098 361111524 /nfs/dbraw/zinc/11/15/24/361111524.db2.gz JQDIRZKMZFSYSJ-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000629528164 361133036 /nfs/dbraw/zinc/13/30/36/361133036.db2.gz QZRDXIKTXBVWHA-RMPHRYRLSA-N 2 1 212.337 1.282 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000629530160 361147793 /nfs/dbraw/zinc/14/77/93/361147793.db2.gz XAFWZDMNHVNSOT-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000629532308 361152074 /nfs/dbraw/zinc/15/20/74/361152074.db2.gz UVKKJMIJNWKQRS-MELADBBJSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccsc1 ZINC000629522184 361123115 /nfs/dbraw/zinc/12/31/15/361123115.db2.gz WWUTWTUBSUKMKO-JTQLQIEISA-N 2 1 240.372 1.907 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000629526148 361126629 /nfs/dbraw/zinc/12/66/29/361126629.db2.gz LQBOZUYVGBGXHT-XJFOESAGSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1SCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000158589929 361205391 /nfs/dbraw/zinc/20/53/91/361205391.db2.gz KLYSPFIISZCWLJ-WDEREUQCSA-N 2 1 228.405 1.812 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000158522885 361202035 /nfs/dbraw/zinc/20/20/35/361202035.db2.gz FYFNDIISHNPASG-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000158708211 361210265 /nfs/dbraw/zinc/21/02/65/361210265.db2.gz YMLZEYJKBHTYDD-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000158916668 361215458 /nfs/dbraw/zinc/21/54/58/361215458.db2.gz LZYINYSQXHKLHP-GFCCVEGCSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000309810840 491156375 /nfs/dbraw/zinc/15/63/75/491156375.db2.gz YXSHRFSJYPRXRN-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000579225129 366736523 /nfs/dbraw/zinc/73/65/23/366736523.db2.gz FYPQRTIGVRTUIQ-QWHCGFSZSA-N 2 1 227.396 1.447 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000579225128 366737026 /nfs/dbraw/zinc/73/70/26/366737026.db2.gz FYPQRTIGVRTUIQ-OLZOCXBDSA-N 2 1 227.396 1.447 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[N@H+]1C ZINC000163169855 361388282 /nfs/dbraw/zinc/38/82/82/361388282.db2.gz GKKKQOSVWMMGMN-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]CCCOCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629539408 361405022 /nfs/dbraw/zinc/40/50/22/361405022.db2.gz QYJRRTWHMXUBNL-KBPBESRZSA-N 3 1 249.358 1.086 20 0 BDADMP CCC[N@@H+](C)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000429629964 201124508 /nfs/dbraw/zinc/12/45/08/201124508.db2.gz WQJZZORTBMQVJI-LBPRGKRZSA-N 2 1 243.395 1.160 20 0 BDADMP Cc1cnc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)n1C ZINC000430173101 201149794 /nfs/dbraw/zinc/14/97/94/201149794.db2.gz YHEONOIOKFRCQA-AWEZNQCLSA-N 2 1 248.374 1.256 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000629545853 361427025 /nfs/dbraw/zinc/42/70/25/361427025.db2.gz AEDKFTGXJNPMPD-MGPQQGTHSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000629548114 361433441 /nfs/dbraw/zinc/43/34/41/361433441.db2.gz CXBHBOLGZQBFBY-YNEHKIRRSA-N 2 1 225.380 1.330 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000629548114 361433444 /nfs/dbraw/zinc/43/34/44/361433444.db2.gz CXBHBOLGZQBFBY-YNEHKIRRSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542448 361418986 /nfs/dbraw/zinc/41/89/86/361418986.db2.gz ZPBHJIFWRXLNSG-NQBHXWOUSA-N 2 1 222.332 1.941 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(C)s1 ZINC000629571595 361463214 /nfs/dbraw/zinc/46/32/14/361463214.db2.gz XXXRBXCMADRMTE-UHFFFAOYSA-N 2 1 243.376 1.119 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+](C)CCOCC[NH3+] ZINC000629578563 361464993 /nfs/dbraw/zinc/46/49/93/361464993.db2.gz RIQLWTOJFGYUAH-LLVKDONJSA-N 2 1 223.320 1.050 20 0 BDADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000629594387 361486128 /nfs/dbraw/zinc/48/61/28/361486128.db2.gz BRRSJLIWRUKUKY-GWSUEFFPSA-N 2 1 238.375 1.653 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1F ZINC000629562708 361455941 /nfs/dbraw/zinc/45/59/41/361455941.db2.gz FLJFVGITDWTBRG-UHFFFAOYSA-N 2 1 240.322 1.494 20 0 BDADMP CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561336 361456368 /nfs/dbraw/zinc/45/63/68/361456368.db2.gz ILSWGWYMEDFHDR-JGVFFNPUSA-N 2 1 210.243 1.465 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CC[NH2+][C@H](C)C1 ZINC000629655566 361560017 /nfs/dbraw/zinc/56/00/17/361560017.db2.gz ZTMOBAVEBBUPDG-MROQNXINSA-N 2 1 225.380 1.105 20 0 BDADMP Cn1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000629648203 361540595 /nfs/dbraw/zinc/54/05/95/361540595.db2.gz HOHQIIWOBGHAMX-ZDUSSCGKSA-N 2 1 221.348 1.632 20 0 BDADMP Cc1cnccc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC000629648338 361540759 /nfs/dbraw/zinc/54/07/59/361540759.db2.gz STTJXWZZULCKNU-ZDUSSCGKSA-N 2 1 221.348 1.853 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648483 361540871 /nfs/dbraw/zinc/54/08/71/361540871.db2.gz PCWWUCKCESPWID-WCQYABFASA-N 2 1 221.348 1.442 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629649223 361543713 /nfs/dbraw/zinc/54/37/13/361543713.db2.gz MMJAMDWEJKLXQR-CABCVRRESA-N 2 1 247.386 1.989 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccn(C)c2)[C@@H]1CC[NH3+] ZINC000629650704 361547701 /nfs/dbraw/zinc/54/77/01/361547701.db2.gz ZTAASMMBWUNKBA-TZMCWYRMSA-N 2 1 235.375 1.974 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2=CCCOC2)[C@@H]1CC[NH3+] ZINC000629650553 361548092 /nfs/dbraw/zinc/54/80/92/361548092.db2.gz VYTGZDOGCHKYDS-GXTWGEPZSA-N 2 1 238.375 1.782 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000629652167 361549488 /nfs/dbraw/zinc/54/94/88/361549488.db2.gz XIPYMGUOWLAXEZ-CABCVRRESA-N 2 1 247.386 1.989 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC1=CCCOC1 ZINC000629652211 361549746 /nfs/dbraw/zinc/54/97/46/361549746.db2.gz YAYHBDFALFHDOG-CYBMUJFWSA-N 2 1 226.364 1.638 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC1=CCCOC1 ZINC000629652212 361550509 /nfs/dbraw/zinc/55/05/09/361550509.db2.gz YAYHBDFALFHDOG-ZDUSSCGKSA-N 2 1 226.364 1.638 20 0 BDADMP C[N@@H+](CC1=CCCOC1)CC(C)(C)C[NH3+] ZINC000629651830 361557139 /nfs/dbraw/zinc/55/71/39/361557139.db2.gz LBZJSDKTKXODBJ-UHFFFAOYSA-N 2 1 212.337 1.250 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCCO ZINC000310005422 491159072 /nfs/dbraw/zinc/15/90/72/491159072.db2.gz GKVYDXBPLBSHNS-QWHCGFSZSA-N 2 1 230.396 1.857 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCCO ZINC000310005422 491159073 /nfs/dbraw/zinc/15/90/73/491159073.db2.gz GKVYDXBPLBSHNS-QWHCGFSZSA-N 2 1 230.396 1.857 20 0 BDADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)C(C)C ZINC000153769778 201247806 /nfs/dbraw/zinc/24/78/06/201247806.db2.gz ZRCAKAROQJYSQP-ZDUSSCGKSA-N 2 1 230.396 1.979 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000309978848 491159240 /nfs/dbraw/zinc/15/92/40/491159240.db2.gz VGKXQSOYJNQDFK-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP COCCCCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623425 201279945 /nfs/dbraw/zinc/27/99/45/201279945.db2.gz UZLPRWHFRWUAHO-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(c2nc(C)no2)CC1 ZINC000435879265 201292690 /nfs/dbraw/zinc/29/26/90/201292690.db2.gz JBDFDPAQBBPYEW-UHFFFAOYSA-N 2 1 238.335 1.167 20 0 BDADMP CC[N@@H+]1C[C@H](C)[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437107529 201343935 /nfs/dbraw/zinc/34/39/35/201343935.db2.gz PPPWGUYDTXOXFT-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437107529 201343939 /nfs/dbraw/zinc/34/39/39/201343939.db2.gz PPPWGUYDTXOXFT-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000437782785 201371810 /nfs/dbraw/zinc/37/18/10/201371810.db2.gz HCGJOALJKUHSFE-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP O[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C(F)F ZINC000631705883 363970603 /nfs/dbraw/zinc/97/06/03/363970603.db2.gz RWWPDPGUYAPOMG-NSHDSACASA-N 2 1 248.317 1.219 20 0 BDADMP c1c(C[NH+]2CCCCC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630604222 364327590 /nfs/dbraw/zinc/32/75/90/364327590.db2.gz PCPRWIRGCZOOFA-GFCCVEGCSA-N 2 1 249.362 1.016 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000399080705 364782401 /nfs/dbraw/zinc/78/24/01/364782401.db2.gz RRZGPSISTSJJBD-LPWJVIDDSA-N 2 1 225.380 1.199 20 0 BDADMP C[NH+](C)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000573443763 364834019 /nfs/dbraw/zinc/83/40/19/364834019.db2.gz AJLRWQZEUNMCAC-UHFFFAOYSA-N 2 1 232.287 1.257 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563098 365089319 /nfs/dbraw/zinc/08/93/19/365089319.db2.gz QEHLIVZRRSZRBC-DYEKYZERSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563098 365089323 /nfs/dbraw/zinc/08/93/23/365089323.db2.gz QEHLIVZRRSZRBC-DYEKYZERSA-N 2 1 239.407 1.304 20 0 BDADMP CC(C)[NH2+]CCC[NH2+]C1CCN(C2CC2)CC1 ZINC000575038355 365174002 /nfs/dbraw/zinc/17/40/02/365174002.db2.gz WVWBLQWDJVWIHP-UHFFFAOYSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443066963 193012461 /nfs/dbraw/zinc/01/24/61/193012461.db2.gz KMEAYPIKFMLVJT-CHWSQXEVSA-N 2 1 239.407 1.258 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000443068982 193012862 /nfs/dbraw/zinc/01/28/62/193012862.db2.gz JCERXWVVVKLPLL-GFCCVEGCSA-N 2 1 226.364 1.474 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000575980126 365433053 /nfs/dbraw/zinc/43/30/53/365433053.db2.gz UTHDCHIRKXVEBU-GXTWGEPZSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+]CCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709768 367140360 /nfs/dbraw/zinc/14/03/60/367140360.db2.gz BEJYEARRYAQAPZ-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@]1(C)CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000580897312 367201657 /nfs/dbraw/zinc/20/16/57/367201657.db2.gz KRYSHKHBYINUHI-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c1OCO2 ZINC000581020385 367239014 /nfs/dbraw/zinc/23/90/14/367239014.db2.gz WLFTUNHSLFPMSG-CMPLNLGQSA-N 2 1 248.326 1.727 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1OCO2 ZINC000581020385 367239016 /nfs/dbraw/zinc/23/90/16/367239016.db2.gz WLFTUNHSLFPMSG-CMPLNLGQSA-N 2 1 248.326 1.727 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000380565359 367244765 /nfs/dbraw/zinc/24/47/65/367244765.db2.gz OJDMCLRZBCSMGE-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2C[C@H]2OCC)CC1 ZINC000381336798 367382723 /nfs/dbraw/zinc/38/27/23/367382723.db2.gz WADUHPIODOAILE-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000581375093 367405707 /nfs/dbraw/zinc/40/57/07/367405707.db2.gz NTLBFEPLGVNDGM-WCFLWFBJSA-N 2 1 226.364 1.255 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000381470009 367413862 /nfs/dbraw/zinc/41/38/62/367413862.db2.gz NZQAICPEASKCPZ-NDBYEHHHSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccco1 ZINC000381482803 367416968 /nfs/dbraw/zinc/41/69/68/367416968.db2.gz TZLLQNVKZFSOEN-SNVBAGLBSA-N 2 1 219.288 1.906 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000382166834 367492919 /nfs/dbraw/zinc/49/29/19/367492919.db2.gz VCSNGDKCUSDPKM-PYJNHQTQSA-N 2 1 222.376 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000382166835 367492954 /nfs/dbraw/zinc/49/29/54/367492954.db2.gz VCSNGDKCUSDPKM-VZZFWQQMSA-N 2 1 222.376 1.962 20 0 BDADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000381745161 367454184 /nfs/dbraw/zinc/45/41/84/367454184.db2.gz PWDVBEXTHIIRLC-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccnc1 ZINC000382578389 367543284 /nfs/dbraw/zinc/54/32/84/367543284.db2.gz IHSLWZOBBATDHD-LLVKDONJSA-N 2 1 219.332 1.874 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000581489209 367519821 /nfs/dbraw/zinc/51/98/21/367519821.db2.gz PJBQJACLSLIDAG-YNEHKIRRSA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCC[C@H]3O)C[C@H]12 ZINC000383264909 367609495 /nfs/dbraw/zinc/60/94/95/367609495.db2.gz GLSZTQZNFPHBPQ-MBJXGIAVSA-N 2 1 238.375 1.207 20 0 BDADMP CC[C@H]1[C@@H](C)CC[N@H+]1CCOCC[NH3+] ZINC000384048549 367669494 /nfs/dbraw/zinc/66/94/94/367669494.db2.gz RTCBXWCUYYTDLR-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)[C@H](C)O1 ZINC000384527853 367697917 /nfs/dbraw/zinc/69/79/17/367697917.db2.gz CDNIQSNFKVJMFE-VOAKCMCISA-N 2 1 226.364 1.484 20 0 BDADMP C[N@@H+](CCc1cccnc1)C1CC([NH3+])C1 ZINC000384705397 367717310 /nfs/dbraw/zinc/71/73/10/367717310.db2.gz BZZUDVKHKOQTRE-UHFFFAOYSA-N 2 1 205.305 1.046 20 0 BDADMP Cc1cnccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000385041706 367777306 /nfs/dbraw/zinc/77/73/06/367777306.db2.gz OCJVQOWEBUDJMT-OCCSQVGLSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cccc(OCC[N@H+](C)C2CC([NH3+])C2)c1 ZINC000385075060 367784436 /nfs/dbraw/zinc/78/44/36/367784436.db2.gz WAJNCUQTFUGJLX-UHFFFAOYSA-N 2 1 234.343 1.795 20 0 BDADMP CC[NH+](CCC1CC1)C[C@@H](O)C[N@@H+](C)CC ZINC000385369257 367823462 /nfs/dbraw/zinc/82/34/62/367823462.db2.gz NPHOGMIFZQOBMS-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CCC1CC1)C[C@@H](O)C[N@H+](C)CC ZINC000385369257 367823464 /nfs/dbraw/zinc/82/34/64/367823464.db2.gz NPHOGMIFZQOBMS-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CCC1CC1 ZINC000385369257 367823466 /nfs/dbraw/zinc/82/34/66/367823466.db2.gz NPHOGMIFZQOBMS-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CCC1CC1 ZINC000385369257 367823468 /nfs/dbraw/zinc/82/34/68/367823468.db2.gz NPHOGMIFZQOBMS-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOCC2)C[NH2+]1 ZINC000399219210 367907974 /nfs/dbraw/zinc/90/79/74/367907974.db2.gz JZQWGZSWKVCCEK-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C[NH2+]1 ZINC000399238937 367911003 /nfs/dbraw/zinc/91/10/03/367911003.db2.gz STVXVGRIHLCGJO-WOPDTQHZSA-N 2 1 212.337 1.143 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000385991687 367894190 /nfs/dbraw/zinc/89/41/90/367894190.db2.gz FCDHUCOJILQYHX-OUAUKWLOSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](C)O ZINC000386768458 368019483 /nfs/dbraw/zinc/01/94/83/368019483.db2.gz JXPVAEHKKMFNCS-GWCFXTLKSA-N 2 1 226.364 1.362 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000566352132 326035841 /nfs/dbraw/zinc/03/58/41/326035841.db2.gz XGEMUSPXBHNWGT-UONOGXRCSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)O1 ZINC000253196853 368613226 /nfs/dbraw/zinc/61/32/26/368613226.db2.gz UDXGIRJMVKRDEN-QNWHQSFQSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000112344404 368870942 /nfs/dbraw/zinc/87/09/42/368870942.db2.gz DUWSZIQRRRCCLN-LBPRGKRZSA-N 2 1 236.363 1.240 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000112344404 368870945 /nfs/dbraw/zinc/87/09/45/368870945.db2.gz DUWSZIQRRRCCLN-LBPRGKRZSA-N 2 1 236.363 1.240 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089145858 368937564 /nfs/dbraw/zinc/93/75/64/368937564.db2.gz QNHGDAWSKDRIJP-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089145858 368937569 /nfs/dbraw/zinc/93/75/69/368937569.db2.gz QNHGDAWSKDRIJP-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089145858 368937574 /nfs/dbraw/zinc/93/75/74/368937574.db2.gz QNHGDAWSKDRIJP-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656858 368996356 /nfs/dbraw/zinc/99/63/56/368996356.db2.gz DJFYVXLHUQYUQF-ZDUSSCGKSA-N 2 1 248.374 1.805 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000623656858 368996359 /nfs/dbraw/zinc/99/63/59/368996359.db2.gz DJFYVXLHUQYUQF-ZDUSSCGKSA-N 2 1 248.374 1.805 20 0 BDADMP CC1CC[NH+](CCN2CCC[N@@H+](C)CC2)CC1 ZINC000567350817 326171646 /nfs/dbraw/zinc/17/16/46/326171646.db2.gz OTGQLKCHZSXNGM-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631837770 369101836 /nfs/dbraw/zinc/10/18/36/369101836.db2.gz WRMIZCRVWIEOLT-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000459358582 203267438 /nfs/dbraw/zinc/26/74/38/203267438.db2.gz BHGUNCJDHYMXCJ-BZPMIXESSA-N 2 1 238.375 1.316 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCC2)C1 ZINC000567680990 326244426 /nfs/dbraw/zinc/24/44/26/326244426.db2.gz JYRGOKQUZCUXOR-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP CCC(CC)(CCO)[NH2+]CCc1c[nH+]cn1C ZINC000459431908 203280718 /nfs/dbraw/zinc/28/07/18/203280718.db2.gz FTUAHVGFGSMNSZ-UHFFFAOYSA-N 2 1 239.363 1.493 20 0 BDADMP COC(C)(C)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000404296516 369425706 /nfs/dbraw/zinc/42/57/06/369425706.db2.gz CWBVTNBPXLMXAW-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCSC2)C1 ZINC000459722419 203341779 /nfs/dbraw/zinc/34/17/79/203341779.db2.gz BHQAUPXNXXKSQU-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC000459729352 203343629 /nfs/dbraw/zinc/34/36/29/203343629.db2.gz JCMYMINLBBUGNC-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP Cn1ccnc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459734837 203347619 /nfs/dbraw/zinc/34/76/19/203347619.db2.gz OPJSYLQVXALIQN-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000459770700 203363862 /nfs/dbraw/zinc/36/38/62/203363862.db2.gz HYKDVWVSYQCVBZ-NEPJUHHUSA-N 2 1 223.320 1.349 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000459784629 203367503 /nfs/dbraw/zinc/36/75/03/203367503.db2.gz AHFGUQBRRAHFRS-SRVKXCTJSA-N 2 1 226.389 1.660 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459784629 203367505 /nfs/dbraw/zinc/36/75/05/203367505.db2.gz AHFGUQBRRAHFRS-SRVKXCTJSA-N 2 1 226.389 1.660 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459784629 203367509 /nfs/dbraw/zinc/36/75/09/203367509.db2.gz AHFGUQBRRAHFRS-SRVKXCTJSA-N 2 1 226.389 1.660 20 0 BDADMP CCO[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@H]1C)C1CC1 ZINC000631862916 369581188 /nfs/dbraw/zinc/58/11/88/369581188.db2.gz VNEIHCZULFREHU-YUSALJHKSA-N 2 1 212.337 1.223 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@H]([NH3+])C[C@H]1C)C1CC1 ZINC000631862916 369581189 /nfs/dbraw/zinc/58/11/89/369581189.db2.gz VNEIHCZULFREHU-YUSALJHKSA-N 2 1 212.337 1.223 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000568165559 326317897 /nfs/dbraw/zinc/31/78/97/326317897.db2.gz QOJHBSWHKQPYDM-MCIONIFRSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000568165559 326317899 /nfs/dbraw/zinc/31/78/99/326317899.db2.gz QOJHBSWHKQPYDM-MCIONIFRSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000568165559 326317900 /nfs/dbraw/zinc/31/79/00/326317900.db2.gz QOJHBSWHKQPYDM-MCIONIFRSA-N 2 1 242.407 1.667 20 0 BDADMP CSCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000252687783 370115933 /nfs/dbraw/zinc/11/59/33/370115933.db2.gz MHYJDWZOSZXQEO-QWRGUYRKSA-N 2 1 216.394 1.669 20 0 BDADMP CCOc1cncc(CNC[C@@H]2CCC[N@@H+]2C)c1 ZINC000621331258 370264664 /nfs/dbraw/zinc/26/46/64/370264664.db2.gz XQMNJLOYCSLGAS-ZDUSSCGKSA-N 2 1 249.358 1.664 20 0 BDADMP CCOc1cncc(CNC[C@@H]2CCC[N@H+]2C)c1 ZINC000621331258 370264668 /nfs/dbraw/zinc/26/46/68/370264668.db2.gz XQMNJLOYCSLGAS-ZDUSSCGKSA-N 2 1 249.358 1.664 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(C)C)CC1 ZINC000310336479 370336269 /nfs/dbraw/zinc/33/62/69/370336269.db2.gz CTUDUULIBZDTSY-CQSZACIVSA-N 2 1 242.407 1.667 20 0 BDADMP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccn1 ZINC000621773814 370518265 /nfs/dbraw/zinc/51/82/65/370518265.db2.gz CLQGEMQNRGNDFM-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccn1 ZINC000621773814 370518269 /nfs/dbraw/zinc/51/82/69/370518269.db2.gz CLQGEMQNRGNDFM-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CCCO1)C2 ZINC000621784124 370536488 /nfs/dbraw/zinc/53/64/88/370536488.db2.gz KHLZEESPXFLSRY-UPJWGTAASA-N 2 1 224.348 1.369 20 0 BDADMP CCn1nccc1CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784990 370537261 /nfs/dbraw/zinc/53/72/61/370537261.db2.gz XMBJFRXFAAQWPT-TZMCWYRMSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1nccc1CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784990 370537267 /nfs/dbraw/zinc/53/72/67/370537267.db2.gz XMBJFRXFAAQWPT-TZMCWYRMSA-N 2 1 248.374 1.259 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCc1ccncc1)C2 ZINC000621784318 370536092 /nfs/dbraw/zinc/53/60/92/370536092.db2.gz NBSKITPRTZEXAD-HUUCEWRRSA-N 2 1 245.370 1.827 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000621784318 370536096 /nfs/dbraw/zinc/53/60/96/370536096.db2.gz NBSKITPRTZEXAD-HUUCEWRRSA-N 2 1 245.370 1.827 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCCO1 ZINC000623963679 371200388 /nfs/dbraw/zinc/20/03/88/371200388.db2.gz MNCBEZYCVBLNCI-YPMHNXCESA-N 2 1 237.347 1.510 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631056360 371178148 /nfs/dbraw/zinc/17/81/48/371178148.db2.gz IIDSLIOGXSUUAL-UHFFFAOYSA-N 2 1 232.287 1.082 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000624120539 371321013 /nfs/dbraw/zinc/32/10/13/371321013.db2.gz BKGAUVXZRUMSKN-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122902 371324637 /nfs/dbraw/zinc/32/46/37/371324637.db2.gz AVLLPKVRGDJPOX-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000624123525 371324861 /nfs/dbraw/zinc/32/48/61/371324861.db2.gz NPUUGENICQTFPM-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000624123523 371325201 /nfs/dbraw/zinc/32/52/01/371325201.db2.gz NPUUGENICQTFPM-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC)C2)[C@@H](C)C1 ZINC000624296576 371462397 /nfs/dbraw/zinc/46/23/97/371462397.db2.gz AXPANYWEQJLVID-CYDGBPFRSA-N 2 1 226.364 1.484 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000624298608 371464188 /nfs/dbraw/zinc/46/41/88/371464188.db2.gz VRKSCPQFPRWGPP-WRWGMCAJSA-N 2 1 212.337 1.236 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000624298608 371464192 /nfs/dbraw/zinc/46/41/92/371464192.db2.gz VRKSCPQFPRWGPP-WRWGMCAJSA-N 2 1 212.337 1.236 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]CC1(C)CCC1 ZINC000401729298 371806686 /nfs/dbraw/zinc/80/66/86/371806686.db2.gz AJZLZLFQTQJENV-UHFFFAOYSA-N 2 1 207.321 1.742 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631821374 372595088 /nfs/dbraw/zinc/59/50/88/372595088.db2.gz WJROGGZVZZHCAB-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000631826918 372606355 /nfs/dbraw/zinc/60/63/55/372606355.db2.gz ZXKQRMRVWKPWMQ-GFCCVEGCSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1nccnc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000631826918 372606358 /nfs/dbraw/zinc/60/63/58/372606358.db2.gz ZXKQRMRVWKPWMQ-GFCCVEGCSA-N 2 1 234.347 1.488 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839088 372607613 /nfs/dbraw/zinc/60/76/13/372607613.db2.gz AAPGWXSXSNHPNN-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631828452 372609693 /nfs/dbraw/zinc/60/96/93/372609693.db2.gz PGVHPCOJPVSGSX-VOAKCMCISA-N 2 1 226.364 1.328 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000631829600 372611002 /nfs/dbraw/zinc/61/10/02/372611002.db2.gz VSCQOOIUTCTXHJ-KPPDAEKUSA-N 2 1 230.302 1.845 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000631829600 372611007 /nfs/dbraw/zinc/61/10/07/372611007.db2.gz VSCQOOIUTCTXHJ-KPPDAEKUSA-N 2 1 230.302 1.845 20 0 BDADMP [NH3+][C@H]1CCCCC[N@H+](CCn2cccn2)C1 ZINC000631833800 372616083 /nfs/dbraw/zinc/61/60/83/372616083.db2.gz JEUHTJJJWMHESB-LBPRGKRZSA-N 2 1 222.336 1.086 20 0 BDADMP [NH3+][C@H]1CCCCC[N@@H+](CCn2cccn2)C1 ZINC000631833800 372616089 /nfs/dbraw/zinc/61/60/89/372616089.db2.gz JEUHTJJJWMHESB-LBPRGKRZSA-N 2 1 222.336 1.086 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCCCC[C@@H](N)C1 ZINC000631834322 372617841 /nfs/dbraw/zinc/61/78/41/372617841.db2.gz UXRUFYXZDDBHBR-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP COCC[C@@H](C)N1CCCCC[C@@H]([NH3+])C1 ZINC000631834322 372617847 /nfs/dbraw/zinc/61/78/47/372617847.db2.gz UXRUFYXZDDBHBR-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP [NH3+][C@H]1CCCCC[N@H+](CCOCC2CC2)C1 ZINC000631833883 372618279 /nfs/dbraw/zinc/61/82/79/372618279.db2.gz KWKKBEVTJSMAEP-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+][C@H]1CCCCC[N@@H+](CCOCC2CC2)C1 ZINC000631833883 372618284 /nfs/dbraw/zinc/61/82/84/372618284.db2.gz KWKKBEVTJSMAEP-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000631834877 372619956 /nfs/dbraw/zinc/61/99/56/372619956.db2.gz HOHUINMVUGPJPS-ZIAGYGMSSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+][C@@H]1CCCCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000631834877 372619962 /nfs/dbraw/zinc/61/99/62/372619962.db2.gz HOHUINMVUGPJPS-ZIAGYGMSSA-N 2 1 239.407 1.579 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631859369 372658395 /nfs/dbraw/zinc/65/83/95/372658395.db2.gz NEJZSEIFODMLRB-QWRGUYRKSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631859369 372658397 /nfs/dbraw/zinc/65/83/97/372658397.db2.gz NEJZSEIFODMLRB-QWRGUYRKSA-N 2 1 200.326 1.223 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000631837892 372630413 /nfs/dbraw/zinc/63/04/13/372630413.db2.gz GWNTVCGQXKZWRH-GZMMTYOYSA-N 2 1 239.388 1.787 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2ccncc2)C[C@H]1C[NH3+] ZINC000631837975 372632346 /nfs/dbraw/zinc/63/23/46/372632346.db2.gz HXFPEZKJRWTNGH-TZMCWYRMSA-N 2 1 233.359 1.541 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H]1C[NH3+] ZINC000631841814 372638154 /nfs/dbraw/zinc/63/81/54/372638154.db2.gz QBOHKZUVOCQQDX-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H]1C[NH3+] ZINC000631841814 372638160 /nfs/dbraw/zinc/63/81/60/372638160.db2.gz QBOHKZUVOCQQDX-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631860854 372661803 /nfs/dbraw/zinc/66/18/03/372661803.db2.gz QUDVHJQVZRECRW-JQWIXIFHSA-N 2 1 222.336 1.003 20 0 BDADMP FCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631891132 372675476 /nfs/dbraw/zinc/67/54/76/372675476.db2.gz WDHSFMQTZTVAFX-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP FCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631891132 372675481 /nfs/dbraw/zinc/67/54/81/372675481.db2.gz WDHSFMQTZTVAFX-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631891350 372686016 /nfs/dbraw/zinc/68/60/16/372686016.db2.gz XYGOVQFCVNNADG-HIFRSBDPSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631891350 372686022 /nfs/dbraw/zinc/68/60/22/372686022.db2.gz XYGOVQFCVNNADG-HIFRSBDPSA-N 2 1 245.370 1.964 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890093 372687315 /nfs/dbraw/zinc/68/73/15/372687315.db2.gz MCWNEHULHGQGNZ-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C/C=C\Cl)C2 ZINC000379663999 373037025 /nfs/dbraw/zinc/03/70/25/373037025.db2.gz UITIKJHIMDXKGN-FZJVJALKSA-N 2 1 214.740 1.800 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCOCC2)CCN1C ZINC000172845304 373093016 /nfs/dbraw/zinc/09/30/16/373093016.db2.gz SRBFDNSUFICKBM-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CC2CCOCC2)CC[N@@H+]1C ZINC000172845304 373093019 /nfs/dbraw/zinc/09/30/19/373093019.db2.gz SRBFDNSUFICKBM-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CC2CCOCC2)CC[N@H+]1C ZINC000172845304 373093022 /nfs/dbraw/zinc/09/30/22/373093022.db2.gz SRBFDNSUFICKBM-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CC2CCOCC2)CC[NH+]1C ZINC000172845304 373093029 /nfs/dbraw/zinc/09/30/29/373093029.db2.gz SRBFDNSUFICKBM-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCOCC2)CC[NH+]1C ZINC000172845304 373093033 /nfs/dbraw/zinc/09/30/33/373093033.db2.gz SRBFDNSUFICKBM-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381756756 374143232 /nfs/dbraw/zinc/14/32/32/374143232.db2.gz SJGUBRAGYIHJDD-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381756756 374143237 /nfs/dbraw/zinc/14/32/37/374143237.db2.gz SJGUBRAGYIHJDD-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP CC[NH2+][C@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000634555525 374312064 /nfs/dbraw/zinc/31/20/64/374312064.db2.gz MLULNJOQVAWWMJ-MRVPVSSYSA-N 2 1 224.308 1.468 20 0 BDADMP CC1(C)OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336888323 206040352 /nfs/dbraw/zinc/04/03/52/206040352.db2.gz FFIIVFFWQNUEOZ-XQQFMLRXSA-N 2 1 238.375 1.770 20 0 BDADMP OCCCC[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359211644 183049044 /nfs/dbraw/zinc/04/90/44/183049044.db2.gz DGXXVNGCNYKKKU-UHFFFAOYSA-N 2 1 240.391 1.613 20 0 BDADMP OC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000049474443 183152694 /nfs/dbraw/zinc/15/26/94/183152694.db2.gz WQMHQPZLICOLAY-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)C(C)C)C1 ZINC000336720570 169077185 /nfs/dbraw/zinc/07/71/85/169077185.db2.gz WYXGAVJSYUHIFG-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336720570 169077188 /nfs/dbraw/zinc/07/71/88/169077188.db2.gz WYXGAVJSYUHIFG-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336720570 169077189 /nfs/dbraw/zinc/07/71/89/169077189.db2.gz WYXGAVJSYUHIFG-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C(C)C)C1 ZINC000336720571 169077205 /nfs/dbraw/zinc/07/72/05/169077205.db2.gz WYXGAVJSYUHIFG-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336720571 169077208 /nfs/dbraw/zinc/07/72/08/169077208.db2.gz WYXGAVJSYUHIFG-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336720571 169077210 /nfs/dbraw/zinc/07/72/10/169077210.db2.gz WYXGAVJSYUHIFG-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000305707179 169165261 /nfs/dbraw/zinc/16/52/61/169165261.db2.gz YVGWAXIDRBFTEG-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CCC[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000305707179 169165262 /nfs/dbraw/zinc/16/52/62/169165262.db2.gz YVGWAXIDRBFTEG-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CCC[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000305707179 169165263 /nfs/dbraw/zinc/16/52/63/169165263.db2.gz YVGWAXIDRBFTEG-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000042543905 169189189 /nfs/dbraw/zinc/18/91/89/169189189.db2.gz BOFNKVLZXSJNIQ-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000042543905 169189190 /nfs/dbraw/zinc/18/91/90/169189190.db2.gz BOFNKVLZXSJNIQ-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP CCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109754421 169203367 /nfs/dbraw/zinc/20/33/67/169203367.db2.gz TYFGSDMLIVLEHZ-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374429009 169204453 /nfs/dbraw/zinc/20/44/53/169204453.db2.gz NNFCPVMWZSBNDK-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256497 169210113 /nfs/dbraw/zinc/21/01/13/169210113.db2.gz LGGQIRCURAUPAC-JHJVBQTASA-N 2 1 208.349 1.813 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256497 169210115 /nfs/dbraw/zinc/21/01/15/169210115.db2.gz LGGQIRCURAUPAC-JHJVBQTASA-N 2 1 208.349 1.813 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256497 169210117 /nfs/dbraw/zinc/21/01/17/169210117.db2.gz LGGQIRCURAUPAC-JHJVBQTASA-N 2 1 208.349 1.813 20 0 BDADMP c1ccc2[nH+]c(NCC[C@H]3CC[NH2+]C3)[nH]c2c1 ZINC000104359342 183436202 /nfs/dbraw/zinc/43/62/02/183436202.db2.gz TVHQIPSNIHFJFG-SNVBAGLBSA-N 2 1 230.315 1.974 20 0 BDADMP CCC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309458854 169365169 /nfs/dbraw/zinc/36/51/69/169365169.db2.gz RJRJCXCTQPEVDV-YPMHNXCESA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309458854 169365170 /nfs/dbraw/zinc/36/51/70/169365170.db2.gz RJRJCXCTQPEVDV-YPMHNXCESA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309458854 169365172 /nfs/dbraw/zinc/36/51/72/169365172.db2.gz RJRJCXCTQPEVDV-YPMHNXCESA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309458854 169365174 /nfs/dbraw/zinc/36/51/74/169365174.db2.gz RJRJCXCTQPEVDV-YPMHNXCESA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@@H](C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336767111 169360390 /nfs/dbraw/zinc/36/03/90/169360390.db2.gz SFECHKSTBYZYSU-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP CCC[C@@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336767111 169360391 /nfs/dbraw/zinc/36/03/91/169360391.db2.gz SFECHKSTBYZYSU-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP CCC[C@@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000356326063 169385134 /nfs/dbraw/zinc/38/51/34/169385134.db2.gz XKJCADSWFYIRQO-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP COC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000347795102 383875602 /nfs/dbraw/zinc/87/56/02/383875602.db2.gz ZSDLWABDJDLXAN-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000347795101 383875922 /nfs/dbraw/zinc/87/59/22/383875922.db2.gz ZSDLWABDJDLXAN-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000111695579 383877504 /nfs/dbraw/zinc/87/75/04/383877504.db2.gz RXVCTGGENBYTOL-GXTWGEPZSA-N 2 1 233.359 1.683 20 0 BDADMP C[C@H]1CSC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401736627 383885187 /nfs/dbraw/zinc/88/51/87/383885187.db2.gz YWXWNSFDNIGFIR-ONGXEEELSA-N 2 1 225.361 1.304 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CO1 ZINC000647216428 384018946 /nfs/dbraw/zinc/01/89/46/384018946.db2.gz JTJULTKEMUHUFX-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP Cn1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000091007828 384088579 /nfs/dbraw/zinc/08/85/79/384088579.db2.gz MQFQWSNJGFUGOM-ZIAGYGMSSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000091007828 384088583 /nfs/dbraw/zinc/08/85/83/384088583.db2.gz MQFQWSNJGFUGOM-ZIAGYGMSSA-N 2 1 233.359 1.742 20 0 BDADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)O ZINC000357799161 384056368 /nfs/dbraw/zinc/05/63/68/384056368.db2.gz IWUMLCXWDMCLMB-AGIUHOORSA-N 2 1 242.407 1.854 20 0 BDADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)O ZINC000357799161 384056380 /nfs/dbraw/zinc/05/63/80/384056380.db2.gz IWUMLCXWDMCLMB-AGIUHOORSA-N 2 1 242.407 1.854 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000020524060 384062112 /nfs/dbraw/zinc/06/21/12/384062112.db2.gz ISEFRBAIUMNGSI-WYTNZGFTSA-N 2 1 238.375 1.769 20 0 BDADMP Cc1noc(CCC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000517754723 384096340 /nfs/dbraw/zinc/09/63/40/384096340.db2.gz FNMYCAPWGRTPLC-KOLCDFICSA-N 2 1 238.335 1.122 20 0 BDADMP Cc1noc(CCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000517754723 384096349 /nfs/dbraw/zinc/09/63/49/384096349.db2.gz FNMYCAPWGRTPLC-KOLCDFICSA-N 2 1 238.335 1.122 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401846956 384122814 /nfs/dbraw/zinc/12/28/14/384122814.db2.gz UUOLOCOEYLMSOH-NZISVWNOSA-N 2 1 224.348 1.379 20 0 BDADMP c1nc(CN2CC[N@H+]3CCCC[C@@H]3C2)c[nH]1 ZINC000092616086 384185425 /nfs/dbraw/zinc/18/54/25/384185425.db2.gz FNZUFSFMYJBKCK-GFCCVEGCSA-N 2 1 220.320 1.080 20 0 BDADMP c1ncc(CN2CC[N@@H+]3CCCC[C@@H]3C2)[nH]1 ZINC000092616086 384185429 /nfs/dbraw/zinc/18/54/29/384185429.db2.gz FNZUFSFMYJBKCK-GFCCVEGCSA-N 2 1 220.320 1.080 20 0 BDADMP c1ncc(CN2CC[N@H+]3CCCC[C@@H]3C2)[nH]1 ZINC000092616086 384185433 /nfs/dbraw/zinc/18/54/33/384185433.db2.gz FNZUFSFMYJBKCK-GFCCVEGCSA-N 2 1 220.320 1.080 20 0 BDADMP CCOC[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000313265895 384183189 /nfs/dbraw/zinc/18/31/89/384183189.db2.gz MXQYDALODUCJEV-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000520894009 384202533 /nfs/dbraw/zinc/20/25/33/384202533.db2.gz AZIZXNUGLDNIAC-XQHKEYJVSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000520894009 384202538 /nfs/dbraw/zinc/20/25/38/384202538.db2.gz AZIZXNUGLDNIAC-XQHKEYJVSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000520894009 384202542 /nfs/dbraw/zinc/20/25/42/384202542.db2.gz AZIZXNUGLDNIAC-XQHKEYJVSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000520894009 384202545 /nfs/dbraw/zinc/20/25/45/384202545.db2.gz AZIZXNUGLDNIAC-XQHKEYJVSA-N 2 1 210.365 1.914 20 0 BDADMP CC(C)(C)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380653 384190900 /nfs/dbraw/zinc/19/09/00/384190900.db2.gz GOHXADCBROZQCI-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)(C)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380653 384190906 /nfs/dbraw/zinc/19/09/06/384190906.db2.gz GOHXADCBROZQCI-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000228471456 384257852 /nfs/dbraw/zinc/25/78/52/384257852.db2.gz PLVZZJICBWFQJI-BFHYXJOUSA-N 2 1 231.343 1.641 20 0 BDADMP Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000313343432 384272717 /nfs/dbraw/zinc/27/27/17/384272717.db2.gz BSSSAFOTJUPSIL-HNNXBMFYSA-N 2 1 248.370 1.853 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000095072564 384343520 /nfs/dbraw/zinc/34/35/20/384343520.db2.gz JQFIHNUESDYILQ-VIFPVBQESA-N 2 1 211.334 1.314 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000095072564 384343524 /nfs/dbraw/zinc/34/35/24/384343524.db2.gz JQFIHNUESDYILQ-VIFPVBQESA-N 2 1 211.334 1.314 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229057960 384416507 /nfs/dbraw/zinc/41/65/07/384416507.db2.gz MENFRLXNJHVESE-SKDRFNHKSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229057960 384416512 /nfs/dbraw/zinc/41/65/12/384416512.db2.gz MENFRLXNJHVESE-SKDRFNHKSA-N 2 1 237.347 1.708 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335642708 384417983 /nfs/dbraw/zinc/41/79/83/384417983.db2.gz HLFDFWLLHDNUDV-ABAIWWIYSA-N 2 1 230.355 1.884 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000084216414 384376899 /nfs/dbraw/zinc/37/68/99/384376899.db2.gz ROUSAOOXFRIRJD-ZJUUUORDSA-N 2 1 225.361 1.750 20 0 BDADMP CC[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000181128005 384451017 /nfs/dbraw/zinc/45/10/17/384451017.db2.gz UMVOHTZEVCGZBA-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cn[nH]c1 ZINC000305972633 384451849 /nfs/dbraw/zinc/45/18/49/384451849.db2.gz QCROLWFFRFJQQL-QWRGUYRKSA-N 2 1 234.347 1.545 20 0 BDADMP CC[C@@H](C)[N@@H+]1CCO[C@H](CN(C)C)C1 ZINC000181061063 384433585 /nfs/dbraw/zinc/43/35/85/384433585.db2.gz YBNUPTAIDQIACL-GHMZBOCLSA-N 2 1 200.326 1.047 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150808469 384513462 /nfs/dbraw/zinc/51/34/62/384513462.db2.gz QIFNJFSPQJDATQ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+](CCN)CCCCC1CCOCC1 ZINC000300749409 384527443 /nfs/dbraw/zinc/52/74/43/384527443.db2.gz KMWUXLWISMXDOL-UHFFFAOYSA-N 2 1 214.353 1.474 20 0 BDADMP C[N@@H+](CCN)CCCCC1CCOCC1 ZINC000300749409 384527450 /nfs/dbraw/zinc/52/74/50/384527450.db2.gz KMWUXLWISMXDOL-UHFFFAOYSA-N 2 1 214.353 1.474 20 0 BDADMP C[N@H+](CC[NH3+])CCCCC1CCOCC1 ZINC000300749409 384527453 /nfs/dbraw/zinc/52/74/53/384527453.db2.gz KMWUXLWISMXDOL-UHFFFAOYSA-N 2 1 214.353 1.474 20 0 BDADMP C[N@@H+](CC[NH3+])CCCCC1CCOCC1 ZINC000300749409 384527459 /nfs/dbraw/zinc/52/74/59/384527459.db2.gz KMWUXLWISMXDOL-UHFFFAOYSA-N 2 1 214.353 1.474 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000643056778 384557970 /nfs/dbraw/zinc/55/79/70/384557970.db2.gz DPYFNAONGKKWHL-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CC[NH2+]C2)C(C)(C)CO1 ZINC000643057821 384561584 /nfs/dbraw/zinc/56/15/84/384561584.db2.gz BFOQJPFGMLEAHE-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000236753528 384571356 /nfs/dbraw/zinc/57/13/56/384571356.db2.gz CQBODRZSWHXWTB-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000647336586 384576393 /nfs/dbraw/zinc/57/63/93/384576393.db2.gz CSCJBOZVDIDECT-RFQIPJPRSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000647336586 384576396 /nfs/dbraw/zinc/57/63/96/384576396.db2.gz CSCJBOZVDIDECT-RFQIPJPRSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCOC1 ZINC000162170214 384582844 /nfs/dbraw/zinc/58/28/44/384582844.db2.gz OUSJYKRXRGBSBH-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423084328 384564455 /nfs/dbraw/zinc/56/44/55/384564455.db2.gz HRRGRUBOBYZHIM-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC3CCC3)C2)nn1 ZINC000643080236 384619958 /nfs/dbraw/zinc/61/99/58/384619958.db2.gz KZCHNLIPMCBHKK-CYBMUJFWSA-N 2 1 249.362 1.174 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000647539112 384664932 /nfs/dbraw/zinc/66/49/32/384664932.db2.gz XRCPFEXHZAANQA-UHFFFAOYSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCOCC2(CCCC2)C1 ZINC000647539112 384664933 /nfs/dbraw/zinc/66/49/33/384664933.db2.gz XRCPFEXHZAANQA-UHFFFAOYSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400735975 384642529 /nfs/dbraw/zinc/64/25/29/384642529.db2.gz RRVRCXAQFAVIGC-JCIQBVFBSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309833005 384654457 /nfs/dbraw/zinc/65/44/57/384654457.db2.gz ZCVQLBMGYGRBIP-ZJUUUORDSA-N 2 1 239.388 1.950 20 0 BDADMP CCOCC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316070298 384724295 /nfs/dbraw/zinc/72/42/95/384724295.db2.gz HKDTYJCXWCSXLI-UTUOFQBUSA-N 2 1 214.353 1.471 20 0 BDADMP CCOCC[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316070298 384724303 /nfs/dbraw/zinc/72/43/03/384724303.db2.gz HKDTYJCXWCSXLI-UTUOFQBUSA-N 2 1 214.353 1.471 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000647545753 384725892 /nfs/dbraw/zinc/72/58/92/384725892.db2.gz MHNPNSOBVQQDTK-QWHCGFSZSA-N 2 1 248.374 1.242 20 0 BDADMP CC(C)[N@@H+](C[C@@H](C)O)CC1CC[NH2+]CC1 ZINC000086703525 384678468 /nfs/dbraw/zinc/67/84/68/384678468.db2.gz AUWMOBUYOZAFGJ-LLVKDONJSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000101635533 384683246 /nfs/dbraw/zinc/68/32/46/384683246.db2.gz DUQNWNUTORGVJR-WHOHXGKFSA-N 2 1 214.353 1.076 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCOC1 ZINC000082544746 384690360 /nfs/dbraw/zinc/69/03/60/384690360.db2.gz ODILVNLIPGOXSN-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[N@H+]1C ZINC000309660045 384699686 /nfs/dbraw/zinc/69/96/86/384699686.db2.gz ASCXPOCDAAOIFU-DGCLKSJQSA-N 2 1 224.348 1.405 20 0 BDADMP Cc1ccoc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125535917 384727532 /nfs/dbraw/zinc/72/75/32/384727532.db2.gz DTSYDKSJOAIGQE-GFCCVEGCSA-N 2 1 222.332 1.972 20 0 BDADMP Cc1ccoc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125535917 384727541 /nfs/dbraw/zinc/72/75/41/384727541.db2.gz DTSYDKSJOAIGQE-GFCCVEGCSA-N 2 1 222.332 1.972 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546952 384732958 /nfs/dbraw/zinc/73/29/58/384732958.db2.gz IBTYYRQRJIWPCC-QNSTZXKLSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000082993024 384735051 /nfs/dbraw/zinc/73/50/51/384735051.db2.gz DUQNWNUTORGVJR-KKOKHZNYSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000335044351 384779556 /nfs/dbraw/zinc/77/95/56/384779556.db2.gz YGSBWDUEAMLFRM-XHDPSFHLSA-N 2 1 230.355 1.884 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)nc1 ZINC000334856738 384745246 /nfs/dbraw/zinc/74/52/46/384745246.db2.gz KDNMLYYEYRXEPM-WCQYABFASA-N 2 1 219.332 1.478 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000565661577 384766991 /nfs/dbraw/zinc/76/69/91/384766991.db2.gz ULCAJRNTBBYWQY-ZDUSSCGKSA-N 2 1 235.331 1.194 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571627 384772696 /nfs/dbraw/zinc/77/26/96/384772696.db2.gz QHHDVLIENWCSOO-CHWSQXEVSA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571627 384772697 /nfs/dbraw/zinc/77/26/97/384772697.db2.gz QHHDVLIENWCSOO-CHWSQXEVSA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335571627 384772700 /nfs/dbraw/zinc/77/27/00/384772700.db2.gz QHHDVLIENWCSOO-CHWSQXEVSA-N 2 1 226.364 1.031 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301001600 384824852 /nfs/dbraw/zinc/82/48/52/384824852.db2.gz VWWAIKKXJCJTEG-NXEZZACHSA-N 2 1 218.291 1.845 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000301001600 384824858 /nfs/dbraw/zinc/82/48/58/384824858.db2.gz VWWAIKKXJCJTEG-NXEZZACHSA-N 2 1 218.291 1.845 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1(C)C ZINC000361926695 384826279 /nfs/dbraw/zinc/82/62/79/384826279.db2.gz REDTYGHQGJDYNS-MROQNXINSA-N 2 1 240.391 1.730 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1(C)C ZINC000361926695 384826289 /nfs/dbraw/zinc/82/62/89/384826289.db2.gz REDTYGHQGJDYNS-MROQNXINSA-N 2 1 240.391 1.730 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000336671116 384832194 /nfs/dbraw/zinc/83/21/94/384832194.db2.gz NQPPLSCHZVCXIA-UPJWGTAASA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000336671116 384832203 /nfs/dbraw/zinc/83/22/03/384832203.db2.gz NQPPLSCHZVCXIA-UPJWGTAASA-N 2 1 228.380 1.730 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000306589504 384786062 /nfs/dbraw/zinc/78/60/62/384786062.db2.gz XCCTXTAKJXLJNV-ZNSHCXBVSA-N 2 1 214.378 1.611 20 0 BDADMP CC[C@H](C[NH2+]C1CC(OC)C1)[NH+]1CCCC1 ZINC000310021344 384786751 /nfs/dbraw/zinc/78/67/51/384786751.db2.gz NLQAMVKXYAZNKP-OTTFEQOBSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)C[NH3+] ZINC000042437759 384794974 /nfs/dbraw/zinc/79/49/74/384794974.db2.gz XHXWLZCAZLXXBY-LLVKDONJSA-N 2 1 228.723 1.091 20 0 BDADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)C[NH3+] ZINC000042437759 384794977 /nfs/dbraw/zinc/79/49/77/384794977.db2.gz XHXWLZCAZLXXBY-LLVKDONJSA-N 2 1 228.723 1.091 20 0 BDADMP C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH3+] ZINC000042437255 384795059 /nfs/dbraw/zinc/79/50/59/384795059.db2.gz QBAKWTIGDATEGO-NSHDSACASA-N 2 1 228.723 1.091 20 0 BDADMP C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH3+] ZINC000042437255 384795066 /nfs/dbraw/zinc/79/50/66/384795066.db2.gz QBAKWTIGDATEGO-NSHDSACASA-N 2 1 228.723 1.091 20 0 BDADMP CC(C)(C)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000300766376 384889045 /nfs/dbraw/zinc/88/90/45/384889045.db2.gz DXJQXGREESKDBH-TXEJJXNPSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H](C[NH2+]Cc1cnc2ccccn12)C[NH+](C)C ZINC000644414836 384867947 /nfs/dbraw/zinc/86/79/47/384867947.db2.gz BJCBDZCAMPOMSW-LBPRGKRZSA-N 2 1 246.358 1.622 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCC1CCOCC1 ZINC000259039972 384953220 /nfs/dbraw/zinc/95/32/20/384953220.db2.gz PLQZZVWAQCHDBK-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP c1cncc([C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000568512262 384907396 /nfs/dbraw/zinc/90/73/96/384907396.db2.gz RJMOLRKMHXJEOO-UKRRQHHQSA-N 2 1 245.370 1.871 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000644513441 384922191 /nfs/dbraw/zinc/92/21/91/384922191.db2.gz CGNKUWOOMRMVIH-ZDUSSCGKSA-N 2 1 228.380 1.467 20 0 BDADMP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000258801012 384935453 /nfs/dbraw/zinc/93/54/53/384935453.db2.gz CECKVSZIMPOKOY-STQMWFEESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000128241775 384938768 /nfs/dbraw/zinc/93/87/68/384938768.db2.gz YAPSHFDAYZPXIJ-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000128241775 384938773 /nfs/dbraw/zinc/93/87/73/384938773.db2.gz YAPSHFDAYZPXIJ-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374086 384989944 /nfs/dbraw/zinc/98/99/44/384989944.db2.gz PGWRJCFDFDVJEE-UHFFFAOYSA-N 2 1 241.423 1.600 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000309986451 385002376 /nfs/dbraw/zinc/00/23/76/385002376.db2.gz YMQWNUGIIBWUOT-JHJVBQTASA-N 2 1 228.380 1.730 20 0 BDADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000340458292 385066013 /nfs/dbraw/zinc/06/60/13/385066013.db2.gz FRTKVSBCXGONLH-DCAQKATOSA-N 2 1 202.317 1.807 20 0 BDADMP CCc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)nc(C)[nH+]1 ZINC000227075714 385084852 /nfs/dbraw/zinc/08/48/52/385084852.db2.gz WXTXHUPTHXNPKU-JOYOIKCWSA-N 2 1 234.347 1.521 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000647207605 385079897 /nfs/dbraw/zinc/07/98/97/385079897.db2.gz BHFRBEJHLDSBDC-NELGMTEASA-N 2 1 238.375 1.770 20 0 BDADMP c1cnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000341879434 385113815 /nfs/dbraw/zinc/11/38/15/385113815.db2.gz UUGHODMPJPHRIA-TZMCWYRMSA-N 2 1 246.358 1.236 20 0 BDADMP C[NH+]1CCC([NH2+][C@H](CCO)C(C)(C)C)CC1 ZINC000158083401 385104525 /nfs/dbraw/zinc/10/45/25/385104525.db2.gz UTTWMPVEQVTRJM-GFCCVEGCSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000313026670 385196885 /nfs/dbraw/zinc/19/68/85/385196885.db2.gz IGENAJSBJGGYRY-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540417 385159422 /nfs/dbraw/zinc/15/94/22/385159422.db2.gz WWZYGKBGEIAKAZ-KGLIPLIRSA-N 2 1 233.359 1.673 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@]1(C)C[NH3+] ZINC000309187577 385200595 /nfs/dbraw/zinc/20/05/95/385200595.db2.gz HGOIYWYGXKYDFG-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC000252714058 385220628 /nfs/dbraw/zinc/22/06/28/385220628.db2.gz QXFSWXYKJWRIFG-UKRRQHHQSA-N 2 1 248.370 1.995 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000130127534 385221118 /nfs/dbraw/zinc/22/11/18/385221118.db2.gz ZHNXGMCHKZLRFA-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000130127534 385221122 /nfs/dbraw/zinc/22/11/22/385221122.db2.gz ZHNXGMCHKZLRFA-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccco1 ZINC000252713893 385222295 /nfs/dbraw/zinc/22/22/95/385222295.db2.gz QLHHBHRJUQJNRZ-WCQYABFASA-N 2 1 222.332 1.752 20 0 BDADMP COCCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000178392172 385242193 /nfs/dbraw/zinc/24/21/93/385242193.db2.gz FYPWQLNKQNGHJU-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]2C[NH3+])c1C ZINC000019844462 385260198 /nfs/dbraw/zinc/26/01/98/385260198.db2.gz YCFCNGFXKMGSJO-GFCCVEGCSA-N 2 1 249.358 1.630 20 0 BDADMP CCOC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158081418 385335439 /nfs/dbraw/zinc/33/54/39/385335439.db2.gz HTNYYIGEUYCTQX-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158081418 385335445 /nfs/dbraw/zinc/33/54/45/385335445.db2.gz HTNYYIGEUYCTQX-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158081418 385335447 /nfs/dbraw/zinc/33/54/47/385335447.db2.gz HTNYYIGEUYCTQX-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228149308 385349877 /nfs/dbraw/zinc/34/98/77/385349877.db2.gz HAZAJAFZTPCXKB-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000165113186 385351076 /nfs/dbraw/zinc/35/10/76/385351076.db2.gz UIDBOKOTWWIKAX-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1nc(C)c(C[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000309017395 385371804 /nfs/dbraw/zinc/37/18/04/385371804.db2.gz VBGJQACJXGJGPG-SNVBAGLBSA-N 2 1 227.377 1.833 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647496548 385390391 /nfs/dbraw/zinc/39/03/91/385390391.db2.gz SXPLKBWGRFSJQX-JQWIXIFHSA-N 2 1 234.347 1.053 20 0 BDADMP C[N@H+]1C[C@H]2CCN(CC[NH+]3CCCCC3)[C@@H]2C1 ZINC000644736611 385387286 /nfs/dbraw/zinc/38/72/86/385387286.db2.gz OHVOVXHMZAVVEM-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000308971375 385328269 /nfs/dbraw/zinc/32/82/69/385328269.db2.gz ZQMGTDKZMHVNDP-GFCCVEGCSA-N 2 1 226.389 1.591 20 0 BDADMP CC[C@H]1CN(Cc2[nH]ncc2C)CC[C@@H]1[NH3+] ZINC000647497503 385410693 /nfs/dbraw/zinc/41/06/93/385410693.db2.gz JOXNAOWBYQXPLZ-QWRGUYRKSA-N 2 1 222.336 1.277 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1[NH3+] ZINC000647497558 385410835 /nfs/dbraw/zinc/41/08/35/385410835.db2.gz MDRBYYLFOJHAFR-PSASIEDQSA-N 2 1 240.376 1.115 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@H]1[NH3+] ZINC000647497558 385410836 /nfs/dbraw/zinc/41/08/36/385410836.db2.gz MDRBYYLFOJHAFR-PSASIEDQSA-N 2 1 240.376 1.115 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000405295325 385456384 /nfs/dbraw/zinc/45/63/84/385456384.db2.gz OAEMHTXOSXFAKE-GHMZBOCLSA-N 2 1 235.331 1.306 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](C)OC)CC1 ZINC000182212423 385434541 /nfs/dbraw/zinc/43/45/41/385434541.db2.gz JRSNAEKYGNZJAQ-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP C[N@H+](CC[NH2+]C[C@@H]1CCCOC1)C1CCCC1 ZINC000111320534 385501127 /nfs/dbraw/zinc/50/11/27/385501127.db2.gz NDLCTCJXWMLEEN-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](CC[NH2+]C[C@@H]1CCCOC1)C1CCCC1 ZINC000111320534 385501130 /nfs/dbraw/zinc/50/11/30/385501130.db2.gz NDLCTCJXWMLEEN-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000643010645 385505339 /nfs/dbraw/zinc/50/53/39/385505339.db2.gz SOFYPVQQRKAPOX-UWVGGRQHSA-N 2 1 245.330 1.522 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000334359689 385541080 /nfs/dbraw/zinc/54/10/80/385541080.db2.gz WXDWZZIQYOKHCF-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP COC1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCCC1 ZINC000319151420 385550599 /nfs/dbraw/zinc/55/05/99/385550599.db2.gz JMMJKBZBIRNEGJ-ZDUSSCGKSA-N 2 1 238.375 1.631 20 0 BDADMP CC[NH2+]CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414848164 385603940 /nfs/dbraw/zinc/60/39/40/385603940.db2.gz PSSBGJAZDIWUQR-UHFFFAOYSA-N 2 1 248.370 1.753 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000082645562 385627419 /nfs/dbraw/zinc/62/74/19/385627419.db2.gz HZUHCUBNNLRXTF-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP NC1(C[NH2+]CC2CC[NH2+]CC2)CCCCC1 ZINC000414847970 385607691 /nfs/dbraw/zinc/60/76/91/385607691.db2.gz VMUUPPKVCRPUMN-UHFFFAOYSA-N 2 1 225.380 1.237 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@@H](C)C[NH2+]C)CC1 ZINC000414848080 385609649 /nfs/dbraw/zinc/60/96/49/385609649.db2.gz WRIQIZOKOABKED-LBPRGKRZSA-N 3 1 227.396 1.306 20 0 BDADMP Cn1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281136954 385638189 /nfs/dbraw/zinc/63/81/89/385638189.db2.gz DLFKEKBUGDZLHC-UHFFFAOYSA-N 2 1 235.375 1.943 20 0 BDADMP Cn1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281136954 385638192 /nfs/dbraw/zinc/63/81/92/385638192.db2.gz DLFKEKBUGDZLHC-UHFFFAOYSA-N 2 1 235.375 1.943 20 0 BDADMP CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000308790715 385653244 /nfs/dbraw/zinc/65/32/44/385653244.db2.gz AYIDIDQWNVQCHV-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000308790715 385653246 /nfs/dbraw/zinc/65/32/46/385653246.db2.gz AYIDIDQWNVQCHV-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000308790715 385653249 /nfs/dbraw/zinc/65/32/49/385653249.db2.gz AYIDIDQWNVQCHV-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000308790715 385653251 /nfs/dbraw/zinc/65/32/51/385653251.db2.gz AYIDIDQWNVQCHV-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)n1 ZINC000414851509 385660987 /nfs/dbraw/zinc/66/09/87/385660987.db2.gz UNEHXMYGOOYZOF-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCO1 ZINC000336687730 385705958 /nfs/dbraw/zinc/70/59/58/385705958.db2.gz GRXXTLVGJNRQSZ-SGMGOOAPSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000019722248 385711534 /nfs/dbraw/zinc/71/15/34/385711534.db2.gz ZSABESQBEGLEFH-LLVKDONJSA-N 2 1 247.342 1.094 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414857982 385730095 /nfs/dbraw/zinc/73/00/95/385730095.db2.gz GYWLIVGJJIWCIX-XQQFMLRXSA-N 3 1 225.380 1.106 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)CCOC ZINC000270699540 385730297 /nfs/dbraw/zinc/73/02/97/385730297.db2.gz XQIDMYDVTIMVRU-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)CCOC ZINC000270699540 385730302 /nfs/dbraw/zinc/73/03/02/385730302.db2.gz XQIDMYDVTIMVRU-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414859677 385735951 /nfs/dbraw/zinc/73/59/51/385735951.db2.gz URUPQHDWLJUKDD-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414859677 385735954 /nfs/dbraw/zinc/73/59/54/385735954.db2.gz URUPQHDWLJUKDD-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414859677 385735956 /nfs/dbraw/zinc/73/59/56/385735956.db2.gz URUPQHDWLJUKDD-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000309610231 385741885 /nfs/dbraw/zinc/74/18/85/385741885.db2.gz ZSXKMVAIPPWYMF-LBPRGKRZSA-N 2 1 228.380 1.589 20 0 BDADMP c1c2cccnc2oc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000648385194 385745066 /nfs/dbraw/zinc/74/50/66/385745066.db2.gz JKTVLDWTHGVHJE-VXGBXAGGSA-N 2 1 243.310 1.479 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414860178 385745687 /nfs/dbraw/zinc/74/56/87/385745687.db2.gz OODVMHCHQNDJJZ-UHFFFAOYSA-N 2 1 236.363 1.859 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC000414861810 385746434 /nfs/dbraw/zinc/74/64/34/385746434.db2.gz GKFSYMGBLJGENX-AVGNSLFASA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]([NH2+]Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000414860477 385747265 /nfs/dbraw/zinc/74/72/65/385747265.db2.gz VQEYZCBQQKBWJW-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000062051469 385762282 /nfs/dbraw/zinc/76/22/82/385762282.db2.gz DJUBIASHWQESKM-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000062051469 385762289 /nfs/dbraw/zinc/76/22/89/385762289.db2.gz DJUBIASHWQESKM-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+]CC[C@@H]1CCOC1 ZINC000309652157 385770369 /nfs/dbraw/zinc/77/03/69/385770369.db2.gz OMQPWXXWXCLRQH-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000414947345 385803781 /nfs/dbraw/zinc/80/37/81/385803781.db2.gz UYJDWCOLJGAFPU-QWRGUYRKSA-N 2 1 246.358 1.821 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335570842 385806033 /nfs/dbraw/zinc/80/60/33/385806033.db2.gz VTNYHRZSSFXXBT-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414950531 385819015 /nfs/dbraw/zinc/81/90/15/385819015.db2.gz OVRPKHQRMPWNAO-NWDGAFQWSA-N 2 1 236.363 1.694 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])CC1CCC(C)(C)CC1 ZINC000336738094 385828441 /nfs/dbraw/zinc/82/84/41/385828441.db2.gz JZEKECZWBLVJHG-LBPRGKRZSA-N 2 1 228.380 1.454 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000414954780 385829637 /nfs/dbraw/zinc/82/96/37/385829637.db2.gz KWAQZSLNWXVIPT-YNEHKIRRSA-N 2 1 227.396 1.304 20 0 BDADMP CCOC(=O)CC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603430762 385853733 /nfs/dbraw/zinc/85/37/33/385853733.db2.gz CMEPOKSSAUDWII-TUAOUCFPSA-N 2 1 242.363 1.387 20 0 BDADMP CCOC(=O)CC[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603430762 385853737 /nfs/dbraw/zinc/85/37/37/385853737.db2.gz CMEPOKSSAUDWII-TUAOUCFPSA-N 2 1 242.363 1.387 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000366630315 385855773 /nfs/dbraw/zinc/85/57/73/385855773.db2.gz QPNUOTUPCKJBOI-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]CCCCOc1ccccc1 ZINC000414946204 385794869 /nfs/dbraw/zinc/79/48/69/385794869.db2.gz RZYHSDBSEWSKLV-LBPRGKRZSA-N 2 1 222.332 1.782 20 0 BDADMP CO[C@](C)(C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000638076901 385795377 /nfs/dbraw/zinc/79/53/77/385795377.db2.gz OSNZQNAMEQRXJP-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP Cc1noc([C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000647832474 385883640 /nfs/dbraw/zinc/88/36/40/385883640.db2.gz KQTXERKGICJQIO-RKDXNWHRSA-N 2 1 238.335 1.498 20 0 BDADMP CC[C@@H](C)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000093075320 385884868 /nfs/dbraw/zinc/88/48/68/385884868.db2.gz PVYPFAXYTNUMDJ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCSC1 ZINC000414962925 385890345 /nfs/dbraw/zinc/89/03/45/385890345.db2.gz SZLPWXDRIRRUEM-ZJUUUORDSA-N 2 1 202.367 1.470 20 0 BDADMP C[C@@H](CN)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647843181 385893570 /nfs/dbraw/zinc/89/35/70/385893570.db2.gz BWOYIQOWKAQGFW-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP C[C@@H](C[NH3+])N(C)CCCC1CC[NH2+]CC1 ZINC000647843181 385893575 /nfs/dbraw/zinc/89/35/75/385893575.db2.gz BWOYIQOWKAQGFW-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CCC[NH3+] ZINC000647848389 385899223 /nfs/dbraw/zinc/89/92/23/385899223.db2.gz PDXUBSTVYAYIAI-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP CCCC[C@@H](COC)[NH2+]C[C@@H](C)[NH2+]CC ZINC000414966335 385919024 /nfs/dbraw/zinc/91/90/24/385919024.db2.gz WKFBMLPKHYNWJV-NEPJUHHUSA-N 2 1 216.369 1.779 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000342077434 385922233 /nfs/dbraw/zinc/92/22/33/385922233.db2.gz BUTMMRJJPPQKEP-IACUBPJLSA-N 2 1 246.358 1.344 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000342077434 385922239 /nfs/dbraw/zinc/92/22/39/385922239.db2.gz BUTMMRJJPPQKEP-IACUBPJLSA-N 2 1 246.358 1.344 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000338231898 385922332 /nfs/dbraw/zinc/92/23/32/385922332.db2.gz CDDAGISDSNONGY-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000338231898 385922339 /nfs/dbraw/zinc/92/23/39/385922339.db2.gz CDDAGISDSNONGY-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000647815526 385867991 /nfs/dbraw/zinc/86/79/91/385867991.db2.gz XXMDDOGFONQHJA-LBPRGKRZSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+](C1CC1)C1CCNCC1)[C@@H]1CC[NH2+]C1 ZINC000647815526 385867996 /nfs/dbraw/zinc/86/79/96/385867996.db2.gz XXMDDOGFONQHJA-LBPRGKRZSA-N 2 1 237.391 1.202 20 0 BDADMP C(C[N@@H+](C1CC1)C1CCNCC1)[C@@H]1CC[NH2+]C1 ZINC000647815526 385867999 /nfs/dbraw/zinc/86/79/99/385867999.db2.gz XXMDDOGFONQHJA-LBPRGKRZSA-N 2 1 237.391 1.202 20 0 BDADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)OCC1CC1 ZINC000647815244 385868473 /nfs/dbraw/zinc/86/84/73/385868473.db2.gz VSAXCNKESUKTAG-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)COCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814902 385868648 /nfs/dbraw/zinc/86/86/48/385868648.db2.gz KHVPLJNGEARSTP-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@H]1CCCO1 ZINC000250840549 385927883 /nfs/dbraw/zinc/92/78/83/385927883.db2.gz LUNUTPOMGLQPCF-CHWSQXEVSA-N 2 1 226.364 1.759 20 0 BDADMP NC[C@@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647827987 385876546 /nfs/dbraw/zinc/87/65/46/385876546.db2.gz UHSVUSKURAEOJG-AWEZNQCLSA-N 2 1 239.407 1.579 20 0 BDADMP NC[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647827987 385876549 /nfs/dbraw/zinc/87/65/49/385876549.db2.gz UHSVUSKURAEOJG-AWEZNQCLSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647827987 385876552 /nfs/dbraw/zinc/87/65/52/385876552.db2.gz UHSVUSKURAEOJG-AWEZNQCLSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647827987 385876555 /nfs/dbraw/zinc/87/65/55/385876555.db2.gz UHSVUSKURAEOJG-AWEZNQCLSA-N 3 1 239.407 1.579 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000353562704 385877062 /nfs/dbraw/zinc/87/70/62/385877062.db2.gz BMTVJIWCTBDVDF-LBPRGKRZSA-N 2 1 221.348 1.409 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000353562704 385877066 /nfs/dbraw/zinc/87/70/66/385877066.db2.gz BMTVJIWCTBDVDF-LBPRGKRZSA-N 2 1 221.348 1.409 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H]2CCC[C@H]21 ZINC000414128211 385976932 /nfs/dbraw/zinc/97/69/32/385976932.db2.gz RUFCAFJZHJSFOI-ODXJTPSBSA-N 2 1 238.375 1.362 20 0 BDADMP CO[C@H](C[N@@H+](C)CCCn1ccnc1)C1CC1 ZINC000425413447 385980433 /nfs/dbraw/zinc/98/04/33/385980433.db2.gz BGFGNRQTNKSDGJ-CYBMUJFWSA-N 2 1 237.347 1.630 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000414140634 385989593 /nfs/dbraw/zinc/98/95/93/385989593.db2.gz IZVDAFGDQHNSTL-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000414140634 385989598 /nfs/dbraw/zinc/98/95/98/385989598.db2.gz IZVDAFGDQHNSTL-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000342111822 385930534 /nfs/dbraw/zinc/93/05/34/385930534.db2.gz ULFYBGVJJHNSRA-QJPTWQEYSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000342111822 385930542 /nfs/dbraw/zinc/93/05/42/385930542.db2.gz ULFYBGVJJHNSRA-QJPTWQEYSA-N 2 1 235.331 1.542 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC000342088606 385936097 /nfs/dbraw/zinc/93/60/97/385936097.db2.gz ADRCXNCNJJPVPY-MELADBBJSA-N 2 1 238.375 1.472 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H]1C[C@H]1C ZINC000414062196 385936096 /nfs/dbraw/zinc/93/60/96/385936096.db2.gz CJCXEPAJUUIDQH-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]([NH2+][C@H]1CC1(C)C)c1c[nH+]ccc1N ZINC000335043110 385936667 /nfs/dbraw/zinc/93/66/67/385936667.db2.gz NKVADYWSYYNWEA-KWQFWETISA-N 2 1 205.305 1.943 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCCC[C@@H]1O ZINC000338305382 385951063 /nfs/dbraw/zinc/95/10/63/385951063.db2.gz JWWZXQOLDMPPLV-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000338305394 385952683 /nfs/dbraw/zinc/95/26/83/385952683.db2.gz JWWZXQOLDMPPLV-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000295045326 385953284 /nfs/dbraw/zinc/95/32/84/385953284.db2.gz FGYDCPSZFZMNLI-SECBINFHSA-N 2 1 248.330 1.227 20 0 BDADMP CC1CCC(C[NH2+]C[C@H]2C[NH2+]CCN2C)CC1 ZINC000414970590 385964600 /nfs/dbraw/zinc/96/46/00/385964600.db2.gz VGRALJYFZMUDQU-JXQTWKCFSA-N 2 1 239.407 1.306 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)C[C@@H]1C ZINC000338317191 385965750 /nfs/dbraw/zinc/96/57/50/385965750.db2.gz MRCYLYGMPJATBH-ZDUSSCGKSA-N 2 1 227.396 1.354 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000187999253 386013238 /nfs/dbraw/zinc/01/32/38/386013238.db2.gz DXELBUAGDJOCIW-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP COC1(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CCCC1 ZINC000309504239 386013357 /nfs/dbraw/zinc/01/33/57/386013357.db2.gz MOAJWTLPQBCLRA-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414978818 386033985 /nfs/dbraw/zinc/03/39/85/386033985.db2.gz SOJCKGXRBWSJFY-DZGCQCFKSA-N 2 1 247.386 1.283 20 0 BDADMP C[C@@H](C[NH2+]Cc1cncs1)C[NH+](C)C ZINC000291759746 386037156 /nfs/dbraw/zinc/03/71/56/386037156.db2.gz RHDKNAGGOHURDS-VIFPVBQESA-N 2 1 213.350 1.430 20 0 BDADMP CO[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000425424215 386043065 /nfs/dbraw/zinc/04/30/65/386043065.db2.gz WADZOEZLBPWHNN-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000425424215 386043070 /nfs/dbraw/zinc/04/30/70/386043070.db2.gz WADZOEZLBPWHNN-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000425424215 386043077 /nfs/dbraw/zinc/04/30/77/386043077.db2.gz WADZOEZLBPWHNN-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCOC2)CC[N@H+]1C ZINC000336728133 386051496 /nfs/dbraw/zinc/05/14/96/386051496.db2.gz CIUYYDMVPBTAFL-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+][C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000414890136 386119667 /nfs/dbraw/zinc/11/96/67/386119667.db2.gz HCXQCAXKYGKIHY-LBPRGKRZSA-N 2 1 230.315 1.390 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2F)CC[N@@H+]1C ZINC000340521482 386121464 /nfs/dbraw/zinc/12/14/64/386121464.db2.gz FSDPOVKUYFUQII-WYUUTHIRSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2F)CC[N@H+]1C ZINC000340521482 386121468 /nfs/dbraw/zinc/12/14/68/386121468.db2.gz FSDPOVKUYFUQII-WYUUTHIRSA-N 2 1 214.328 1.949 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000345224154 386070949 /nfs/dbraw/zinc/07/09/49/386070949.db2.gz CBUNPLWGCCFQOH-ZDUSSCGKSA-N 2 1 238.379 1.592 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414651755 386072640 /nfs/dbraw/zinc/07/26/40/386072640.db2.gz GDBKRLJNFOJCQL-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223059938 386074402 /nfs/dbraw/zinc/07/44/02/386074402.db2.gz BKABYMFYOFVAMH-CMPLNLGQSA-N 2 1 223.320 1.349 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000425449769 386083050 /nfs/dbraw/zinc/08/30/50/386083050.db2.gz TZWMMFVCSJFROB-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000425449769 386083054 /nfs/dbraw/zinc/08/30/54/386083054.db2.gz TZWMMFVCSJFROB-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000425449769 386083055 /nfs/dbraw/zinc/08/30/55/386083055.db2.gz TZWMMFVCSJFROB-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414657332 386086280 /nfs/dbraw/zinc/08/62/80/386086280.db2.gz HQLPRJHTQKPQBF-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000414985114 386091602 /nfs/dbraw/zinc/09/16/02/386091602.db2.gz VSBFCMVAVYCMHE-NSHDSACASA-N 2 1 248.330 1.805 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414673870 386146114 /nfs/dbraw/zinc/14/61/14/386146114.db2.gz CZLBAFWGFWMELO-WOPDTQHZSA-N 2 1 240.347 1.012 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335262700 386149284 /nfs/dbraw/zinc/14/92/84/386149284.db2.gz OXPXHFPDDHNEEC-BXKDBHETSA-N 2 1 222.336 1.135 20 0 BDADMP CC[C@@H](COC)[NH2+]CCCCn1cc[nH+]c1C ZINC000164697959 386181241 /nfs/dbraw/zinc/18/12/41/386181241.db2.gz UGWYBEVBEKKYRY-ZDUSSCGKSA-N 2 1 239.363 1.986 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414692613 386181754 /nfs/dbraw/zinc/18/17/54/386181754.db2.gz CUVDJJIYGQDXOP-RQJABVFESA-N 2 1 240.391 1.610 20 0 BDADMP C1CC1[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895284 386181675 /nfs/dbraw/zinc/18/16/75/386181675.db2.gz WQAAFYTZMFJGJH-XQQFMLRXSA-N 2 1 208.349 1.907 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000414692227 386183242 /nfs/dbraw/zinc/18/32/42/386183242.db2.gz KLDMQOQYBSFLEH-OCCSQVGLSA-N 2 1 239.407 1.528 20 0 BDADMP COc1cc(C)c(C[NH2+]C[C@H]([NH3+])C2CC2)c(C)n1 ZINC000414895103 386186835 /nfs/dbraw/zinc/18/68/35/386186835.db2.gz VYTUDCKOYZQZFY-ZDUSSCGKSA-N 2 1 249.358 1.534 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000414988082 386127353 /nfs/dbraw/zinc/12/73/53/386127353.db2.gz LEEGODAJUCERBA-GFCCVEGCSA-N 2 1 222.332 1.831 20 0 BDADMP Cc1cnccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000296793414 386203581 /nfs/dbraw/zinc/20/35/81/386203581.db2.gz MEWYGQYUKPLCGC-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1cnccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000296793414 386203588 /nfs/dbraw/zinc/20/35/88/386203588.db2.gz MEWYGQYUKPLCGC-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000296793414 386203592 /nfs/dbraw/zinc/20/35/92/386203592.db2.gz MEWYGQYUKPLCGC-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000296793414 386203597 /nfs/dbraw/zinc/20/35/97/386203597.db2.gz MEWYGQYUKPLCGC-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP CS[C@@H]1CCCC[N@@H+](CCC[NH3+])C1 ZINC000414699762 386203915 /nfs/dbraw/zinc/20/39/15/386203915.db2.gz FJMNTHFANUMNAJ-SNVBAGLBSA-N 2 1 202.367 1.553 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897044 386209612 /nfs/dbraw/zinc/20/96/12/386209612.db2.gz CYKUMDYSXWMVEB-UHFFFAOYSA-N 2 1 222.336 1.197 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2COCCO2)c2ccccc21 ZINC000132030818 386218790 /nfs/dbraw/zinc/21/87/90/386218790.db2.gz FQKXVKUISQPFQW-HONMWMINSA-N 2 1 248.326 1.136 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]CCn2cccn2)c2ccccc21 ZINC000132048758 386218982 /nfs/dbraw/zinc/21/89/82/386218982.db2.gz BKCRXEYUZDRWQN-KBPBESRZSA-N 2 1 242.326 1.618 20 0 BDADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)C(C)(C)CO1 ZINC000648406552 386221618 /nfs/dbraw/zinc/22/16/18/386221618.db2.gz RMMQQQGGOGASSE-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347038900 386225754 /nfs/dbraw/zinc/22/57/54/386225754.db2.gz IYWPGSUJJUDAEK-GXTWGEPZSA-N 2 1 240.391 1.720 20 0 BDADMP COc1c(O)cccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347117644 386234013 /nfs/dbraw/zinc/23/40/13/386234013.db2.gz WWZOVSCBXFXEOH-JTQLQIEISA-N 2 1 236.315 1.181 20 0 BDADMP COc1c(O)cccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347117644 386234017 /nfs/dbraw/zinc/23/40/17/386234017.db2.gz WWZOVSCBXFXEOH-JTQLQIEISA-N 2 1 236.315 1.181 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1NCC[NH+]1CCCCCC1 ZINC000343195061 386236947 /nfs/dbraw/zinc/23/69/47/386236947.db2.gz ZSBMVUMVIULPOX-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC[NH+]1CCCCCC1 ZINC000343195061 386236949 /nfs/dbraw/zinc/23/69/49/386236949.db2.gz ZSBMVUMVIULPOX-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CC[NH2+]C(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000414717455 386238922 /nfs/dbraw/zinc/23/89/22/386238922.db2.gz ZLMMUZUVFGPIFE-ZDUSSCGKSA-N 2 1 241.423 1.648 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C)O)C1 ZINC000336645519 386250683 /nfs/dbraw/zinc/25/06/83/386250683.db2.gz IBWQEJSMLWCNPN-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336645519 386250687 /nfs/dbraw/zinc/25/06/87/386250687.db2.gz IBWQEJSMLWCNPN-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336645519 386250691 /nfs/dbraw/zinc/25/06/91/386250691.db2.gz IBWQEJSMLWCNPN-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC000414729355 386280473 /nfs/dbraw/zinc/28/04/73/386280473.db2.gz DXVZOFREDYAVAZ-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C)(CN)C2)CC[NH2+]1 ZINC000414729355 386280475 /nfs/dbraw/zinc/28/04/75/386280475.db2.gz DXVZOFREDYAVAZ-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](C)(CN)C2)CC[NH2+]1 ZINC000414729355 386280477 /nfs/dbraw/zinc/28/04/77/386280477.db2.gz DXVZOFREDYAVAZ-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336662282 386281888 /nfs/dbraw/zinc/28/18/88/386281888.db2.gz JBBYBZVPGOBKGE-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336662282 386281895 /nfs/dbraw/zinc/28/18/95/386281895.db2.gz JBBYBZVPGOBKGE-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336662282 386281899 /nfs/dbraw/zinc/28/18/99/386281899.db2.gz JBBYBZVPGOBKGE-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336664667 386287745 /nfs/dbraw/zinc/28/77/45/386287745.db2.gz FWISXNKOQPNORJ-RWMBFGLXSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336664667 386287751 /nfs/dbraw/zinc/28/77/51/386287751.db2.gz FWISXNKOQPNORJ-RWMBFGLXSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336664667 386287754 /nfs/dbraw/zinc/28/77/54/386287754.db2.gz FWISXNKOQPNORJ-RWMBFGLXSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336664667 386287758 /nfs/dbraw/zinc/28/77/58/386287758.db2.gz FWISXNKOQPNORJ-RWMBFGLXSA-N 2 1 228.380 1.418 20 0 BDADMP Cc1noc(CCC[NH2+][C@H](C[NH3+])C(C)(C)C)n1 ZINC000647988066 386294579 /nfs/dbraw/zinc/29/45/79/386294579.db2.gz KPGFMTDOBYWQKZ-SNVBAGLBSA-N 2 1 240.351 1.274 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000414734437 386298922 /nfs/dbraw/zinc/29/89/22/386298922.db2.gz DWGLUNKDVXNYLK-MCIONIFRSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414901565 386307611 /nfs/dbraw/zinc/30/76/11/386307611.db2.gz GEMXWHOYWSOVIQ-MGPQQGTHSA-N 3 1 239.407 1.496 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000414740823 386322161 /nfs/dbraw/zinc/32/21/61/386322161.db2.gz KFHQCNVYPNCBDK-GFCCVEGCSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336653357 386269227 /nfs/dbraw/zinc/26/92/27/386269227.db2.gz YESKFSHIFRBIGX-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336653357 386269233 /nfs/dbraw/zinc/26/92/33/386269233.db2.gz YESKFSHIFRBIGX-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336653357 386269236 /nfs/dbraw/zinc/26/92/36/386269236.db2.gz YESKFSHIFRBIGX-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCOC2)C1 ZINC000336652932 386270187 /nfs/dbraw/zinc/27/01/87/386270187.db2.gz XFNFLRZJLQSUBP-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCOC2)C1 ZINC000336652932 386270191 /nfs/dbraw/zinc/27/01/91/386270191.db2.gz XFNFLRZJLQSUBP-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000336652932 386270192 /nfs/dbraw/zinc/27/01/92/386270192.db2.gz XFNFLRZJLQSUBP-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 ZINC000336652932 386270198 /nfs/dbraw/zinc/27/01/98/386270198.db2.gz XFNFLRZJLQSUBP-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000415003983 386270391 /nfs/dbraw/zinc/27/03/91/386270391.db2.gz GZNFSHXCVOVPAK-RYUDHWBXSA-N 2 1 248.374 1.507 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428039474 386271095 /nfs/dbraw/zinc/27/10/95/386271095.db2.gz FGLYGPVADCYIQD-KBPBESRZSA-N 2 1 248.374 1.265 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336661824 386279450 /nfs/dbraw/zinc/27/94/50/386279450.db2.gz CGDXQDQZKPBSQT-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](CCCO)CC[C@H]1CCC[NH+]1C ZINC000336644640 386280085 /nfs/dbraw/zinc/28/00/85/386280085.db2.gz GVIUMDOEIVMXKN-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CCCO)CC[C@H]1CCC[N@@H+]1C ZINC000336644640 386280088 /nfs/dbraw/zinc/28/00/88/386280088.db2.gz GVIUMDOEIVMXKN-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CCCO)CC[C@H]1CCC[N@H+]1C ZINC000336644640 386280091 /nfs/dbraw/zinc/28/00/91/386280091.db2.gz GVIUMDOEIVMXKN-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@](F)(CO)C1 ZINC000347351528 386346806 /nfs/dbraw/zinc/34/68/06/386346806.db2.gz XJLNTRMMIDNNRT-OLZOCXBDSA-N 2 1 244.354 1.267 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CC2)[C@@H](C)C1 ZINC000347308493 386350576 /nfs/dbraw/zinc/35/05/76/386350576.db2.gz BSBCAHQIWSUVSJ-FPMFFAJLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCNC(C)(C)C2)CC[NH2+]1 ZINC000335270740 386355846 /nfs/dbraw/zinc/35/58/46/386355846.db2.gz RSSOVJCAQMEFSO-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC000335270740 386355850 /nfs/dbraw/zinc/35/58/50/386355850.db2.gz RSSOVJCAQMEFSO-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](C3CC3)C2)CC[NH2+]1 ZINC000414748042 386360352 /nfs/dbraw/zinc/36/03/52/386360352.db2.gz UBGTXONFJMMING-MBNYWOFBSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@]1(C)C[C@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647890707 386380959 /nfs/dbraw/zinc/38/09/59/386380959.db2.gz HVSCLYQPKLDMRQ-SGMGOOAPSA-N 2 1 240.391 1.731 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000336698621 386385486 /nfs/dbraw/zinc/38/54/86/386385486.db2.gz WVSBZASHWCNEOI-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000336698621 386385488 /nfs/dbraw/zinc/38/54/88/386385488.db2.gz WVSBZASHWCNEOI-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000336698621 386385492 /nfs/dbraw/zinc/38/54/92/386385492.db2.gz WVSBZASHWCNEOI-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CCOCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336684296 386332878 /nfs/dbraw/zinc/33/28/78/386332878.db2.gz DZJLXDYEPLOSNY-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CCOCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336684296 386332884 /nfs/dbraw/zinc/33/28/84/386332884.db2.gz DZJLXDYEPLOSNY-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CCOCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336684296 386332894 /nfs/dbraw/zinc/33/28/94/386332894.db2.gz DZJLXDYEPLOSNY-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP COc1cccc2c1CC[N@@H+](CCC[NH3+])CC2 ZINC000414743153 386334484 /nfs/dbraw/zinc/33/44/84/386334484.db2.gz ODNZWZFPRLMHGF-UHFFFAOYSA-N 2 1 234.343 1.445 20 0 BDADMP Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000336754343 386438275 /nfs/dbraw/zinc/43/82/75/386438275.db2.gz WXRBSVLPDCYWEB-CYBMUJFWSA-N 2 1 222.332 1.055 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCOC1 ZINC000336718828 386442747 /nfs/dbraw/zinc/44/27/47/386442747.db2.gz XIGIDLCRUHVMAK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000336718828 386442751 /nfs/dbraw/zinc/44/27/51/386442751.db2.gz XIGIDLCRUHVMAK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCOC1 ZINC000336718828 386442757 /nfs/dbraw/zinc/44/27/57/386442757.db2.gz XIGIDLCRUHVMAK-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336703717 386390465 /nfs/dbraw/zinc/39/04/65/386390465.db2.gz BQJAMSMSJSVKOC-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336703722 386390536 /nfs/dbraw/zinc/39/05/36/386390536.db2.gz BQJAMSMSJSVKOC-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336704252 386393057 /nfs/dbraw/zinc/39/30/57/386393057.db2.gz PTAFEPPPCQQHOD-RWMBFGLXSA-N 2 1 226.364 1.364 20 0 BDADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647990748 386394593 /nfs/dbraw/zinc/39/45/93/386394593.db2.gz BTECKEBVLRDDJU-STQMWFEESA-N 2 1 248.374 1.773 20 0 BDADMP CCC[C@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414756516 386399666 /nfs/dbraw/zinc/39/96/66/386399666.db2.gz JXGDUYUMNZEIAX-UONOGXRCSA-N 2 1 242.407 1.987 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000336776692 386405659 /nfs/dbraw/zinc/40/56/59/386405659.db2.gz GJJATCFLBTZDTJ-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000093232461 386406123 /nfs/dbraw/zinc/40/61/23/386406123.db2.gz KHSCZBYSPAZYPZ-CQSZACIVSA-N 2 1 234.343 1.451 20 0 BDADMP CCCC1CCC(C[N@H+](CC[NH3+])CCO)CC1 ZINC000414908632 386409570 /nfs/dbraw/zinc/40/95/70/386409570.db2.gz FQOQXOGXTNYELE-UHFFFAOYSA-N 2 1 242.407 1.846 20 0 BDADMP CCCC1CCC(C[N@@H+](CC[NH3+])CCO)CC1 ZINC000414908632 386409573 /nfs/dbraw/zinc/40/95/73/386409573.db2.gz FQOQXOGXTNYELE-UHFFFAOYSA-N 2 1 242.407 1.846 20 0 BDADMP COCC[C@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647991126 386409657 /nfs/dbraw/zinc/40/96/57/386409657.db2.gz AWJYLKWSHQQHQG-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@H](O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336708511 386417179 /nfs/dbraw/zinc/41/71/79/386417179.db2.gz IJIDWPRRDJAYOK-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CCc1[nH+]ccn1[C@@H]1CCCN(C[C@H](C)[NH3+])C1 ZINC000442663553 386419842 /nfs/dbraw/zinc/41/98/42/386419842.db2.gz SRDBAZJAWXDLAS-NWDGAFQWSA-N 2 1 236.363 1.430 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000414762722 386424504 /nfs/dbraw/zinc/42/45/04/386424504.db2.gz WNQWHNHIKSKTGC-GHMZBOCLSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000414762722 386424509 /nfs/dbraw/zinc/42/45/09/386424509.db2.gz WNQWHNHIKSKTGC-GHMZBOCLSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@H]1C[C@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762695 386425358 /nfs/dbraw/zinc/42/53/58/386425358.db2.gz AVURYEFEPRQIDM-RVMXOQNASA-N 2 1 208.349 1.574 20 0 BDADMP C[C@@H]([NH3+])CCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000277426418 386432348 /nfs/dbraw/zinc/43/23/48/386432348.db2.gz BLMCTZZQSIZDRD-SECBINFHSA-N 2 1 236.319 1.214 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336732591 386470926 /nfs/dbraw/zinc/47/09/26/386470926.db2.gz ZTIQETXGFGDPML-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH2+]1 ZINC000414775860 386475476 /nfs/dbraw/zinc/47/54/76/386475476.db2.gz WDSSGBXRWUARHV-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH2+]1 ZINC000414775860 386475483 /nfs/dbraw/zinc/47/54/83/386475483.db2.gz WDSSGBXRWUARHV-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CC1(C)C ZINC000417311126 386480944 /nfs/dbraw/zinc/48/09/44/386480944.db2.gz LIOJOSIWKPFDPI-UPJWGTAASA-N 2 1 242.407 1.713 20 0 BDADMP COc1ccccc1/C=C/C[NH2+]C1[C@H]2C[NH2+]C[C@@H]12 ZINC000415042856 386529026 /nfs/dbraw/zinc/52/90/26/386529026.db2.gz SXJUSZMXLURCCL-HZGAQGMBSA-N 2 1 244.338 1.516 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415011111 386485003 /nfs/dbraw/zinc/48/50/03/386485003.db2.gz QDSCNCVDZODPLZ-RKDXNWHRSA-N 2 1 218.304 1.388 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CCNC(C)(C)C ZINC000415011696 386490162 /nfs/dbraw/zinc/49/01/62/386490162.db2.gz HXBKAUDKOSPGKQ-LLVKDONJSA-N 2 1 215.385 1.482 20 0 BDADMP C[C@H](CCCC[NH3+])NCC[NH2+]C(C)(C)C ZINC000415011696 386490167 /nfs/dbraw/zinc/49/01/67/386490167.db2.gz HXBKAUDKOSPGKQ-LLVKDONJSA-N 2 1 215.385 1.482 20 0 BDADMP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415017692 386503746 /nfs/dbraw/zinc/50/37/46/386503746.db2.gz QKBRCYBPDWGHDN-VHSXEESVSA-N 2 1 210.296 1.959 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415050197 386505494 /nfs/dbraw/zinc/50/54/94/386505494.db2.gz FMRQNJCLQPWZLR-AAVRWANBSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@]1(C)CN ZINC000415050197 386505500 /nfs/dbraw/zinc/50/55/00/386505500.db2.gz FMRQNJCLQPWZLR-AAVRWANBSA-N 2 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@]1(C)CN ZINC000415050197 386505502 /nfs/dbraw/zinc/50/55/02/386505502.db2.gz FMRQNJCLQPWZLR-AAVRWANBSA-N 2 1 239.407 1.291 20 0 BDADMP CC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784150 386506860 /nfs/dbraw/zinc/50/68/60/386506860.db2.gz QVWBIRQOFYIJLS-QWHCGFSZSA-N 2 1 240.391 1.720 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@H]1CCOC1 ZINC000415051538 386508677 /nfs/dbraw/zinc/50/86/77/386508677.db2.gz GCHFYYSZLXNJQQ-WDEREUQCSA-N 2 1 214.353 1.376 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1C ZINC000415032630 386519329 /nfs/dbraw/zinc/51/93/29/386519329.db2.gz GDZXDSQWVIUWNU-HNNXBMFYSA-N 2 1 248.370 1.772 20 0 BDADMP C[C@@H]1OCC[C@]1(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000336780164 386521381 /nfs/dbraw/zinc/52/13/81/386521381.db2.gz QPSFPMYUBBIAGJ-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP c1cnc2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2c1 ZINC000415036185 386524752 /nfs/dbraw/zinc/52/47/52/386524752.db2.gz LLSYHCREHQHGAR-NHAGDIPZSA-N 2 1 239.322 1.542 20 0 BDADMP c1csc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415036875 386525014 /nfs/dbraw/zinc/52/50/14/386525014.db2.gz KKVRTSJYZSSGCL-JTQLQIEISA-N 2 1 226.345 1.216 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156093473 386527697 /nfs/dbraw/zinc/52/76/97/386527697.db2.gz USLBHJZIYQYGLI-IJLUTSLNSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770130 386455368 /nfs/dbraw/zinc/45/53/68/386455368.db2.gz XTROPQCYCOZFIP-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770139 386456675 /nfs/dbraw/zinc/45/66/75/386456675.db2.gz XTROPQCYCOZFIP-RDBSUJKOSA-N 3 1 237.391 1.060 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415074297 386574986 /nfs/dbraw/zinc/57/49/86/386574986.db2.gz CGCOERKZDCZCHT-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335412832 386577406 /nfs/dbraw/zinc/57/74/06/386577406.db2.gz NFRWELBJHANRSA-BXUZGUMPSA-N 2 1 237.391 1.153 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978046 386577707 /nfs/dbraw/zinc/57/77/07/386577707.db2.gz LPLCNSTZSUGYPR-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977612 386578209 /nfs/dbraw/zinc/57/82/09/386578209.db2.gz FEVXJIIRLGZDJT-ZIAGYGMSSA-N 2 1 239.407 1.308 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1(C)C)C1CC1 ZINC000336644090 386587773 /nfs/dbraw/zinc/58/77/73/386587773.db2.gz BQUNUPDVMVDTMP-LBPRGKRZSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1(C)C)C1CC1 ZINC000336644090 386587777 /nfs/dbraw/zinc/58/77/77/386587777.db2.gz BQUNUPDVMVDTMP-LBPRGKRZSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC1(C)C)C1CC1 ZINC000336644090 386587783 /nfs/dbraw/zinc/58/77/83/386587783.db2.gz BQUNUPDVMVDTMP-LBPRGKRZSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCCC1(C)C)C1CC1 ZINC000336644090 386587789 /nfs/dbraw/zinc/58/77/89/386587789.db2.gz BQUNUPDVMVDTMP-LBPRGKRZSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000415078745 386588866 /nfs/dbraw/zinc/58/88/66/386588866.db2.gz GXVUQZAXBHBENI-GHMZBOCLSA-N 2 1 224.373 1.878 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC[C@H]([NH3+])CC(C)C ZINC000415082012 386598737 /nfs/dbraw/zinc/59/87/37/386598737.db2.gz NQMBSOUVPKFAGY-KGLIPLIRSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414799957 386594653 /nfs/dbraw/zinc/59/46/53/386594653.db2.gz KKSNVLIYXOSRMM-MQYQWHSLSA-N 3 1 239.407 1.624 20 0 BDADMP C[N@H+](Cc1ccncc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911216 386532243 /nfs/dbraw/zinc/53/22/43/386532243.db2.gz INGWSKGLVPXESM-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@@H+](Cc1ccncc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911216 386532246 /nfs/dbraw/zinc/53/22/46/386532246.db2.gz INGWSKGLVPXESM-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414788446 386532897 /nfs/dbraw/zinc/53/28/97/386532897.db2.gz MPFDDWJLVSIXDO-UHFFFAOYSA-N 2 1 236.363 1.549 20 0 BDADMP c1cncc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC000647995326 386537946 /nfs/dbraw/zinc/53/79/46/386537946.db2.gz OZKDJGMNQUKKIP-GXTWGEPZSA-N 2 1 231.343 1.480 20 0 BDADMP Oc1cccc2c1CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335459746 386539849 /nfs/dbraw/zinc/53/98/49/386539849.db2.gz DHRWAGMEKGUQOV-ZDUSSCGKSA-N 2 1 232.327 1.579 20 0 BDADMP C[C@]1(C[NH2+]Cc2cncc(F)c2)CCC[NH2+]C1 ZINC000414918483 386545028 /nfs/dbraw/zinc/54/50/28/386545028.db2.gz UODFGXFXCJDVCR-ZDUSSCGKSA-N 2 1 237.322 1.700 20 0 BDADMP C[C@@]1(C[NH2+]Cc2cncc(F)c2)CCC[NH2+]C1 ZINC000414918481 386545082 /nfs/dbraw/zinc/54/50/82/386545082.db2.gz UODFGXFXCJDVCR-CYBMUJFWSA-N 2 1 237.322 1.700 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000647995245 386545832 /nfs/dbraw/zinc/54/58/32/386545832.db2.gz IZWXZKPPCASQOD-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C1C[C@H]2[C@H](CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)O1 ZINC000415084209 386597229 /nfs/dbraw/zinc/59/72/29/386597229.db2.gz GCLWKGZISRXEET-LPWJVIDDSA-N 2 1 224.348 1.286 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000123396495 386553098 /nfs/dbraw/zinc/55/30/98/386553098.db2.gz QWEKEWIAUWIUNC-ZDUSSCGKSA-N 2 1 247.342 1.438 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000123396495 386553101 /nfs/dbraw/zinc/55/31/01/386553101.db2.gz QWEKEWIAUWIUNC-ZDUSSCGKSA-N 2 1 247.342 1.438 20 0 BDADMP CNC(=O)c1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414793592 386554396 /nfs/dbraw/zinc/55/43/96/386554396.db2.gz KUUXZNJAOOARHG-CYBMUJFWSA-N 2 1 249.358 1.119 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNCC[NH2+]C(C)(C)C ZINC000415075421 386569556 /nfs/dbraw/zinc/56/95/56/386569556.db2.gz FGPZWQIGKXGACU-ZDUSSCGKSA-N 2 1 241.423 1.839 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647976701 386572150 /nfs/dbraw/zinc/57/21/50/386572150.db2.gz SENBRTYWMCIFRP-OLZOCXBDSA-N 2 1 249.358 1.886 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000415110834 386621558 /nfs/dbraw/zinc/62/15/58/386621558.db2.gz SXPCFTFCQJBNTO-OCCSQVGLSA-N 2 1 242.407 1.843 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000414808909 386625651 /nfs/dbraw/zinc/62/56/51/386625651.db2.gz LJRWINHYWPHTCZ-QWHCGFSZSA-N 2 1 241.423 1.824 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](O)CC1 ZINC000339779886 386628960 /nfs/dbraw/zinc/62/89/60/386628960.db2.gz MPQQZDVBIHETGP-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414814569 386647510 /nfs/dbraw/zinc/64/75/10/386647510.db2.gz OBQWLINHRMOBQT-RWMBFGLXSA-N 3 1 227.396 1.482 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414805706 386605163 /nfs/dbraw/zinc/60/51/63/386605163.db2.gz MKLXDWBAKVTFQP-RYUDHWBXSA-N 2 1 214.353 1.374 20 0 BDADMP Cc1cccn2c(C[NH2+]CC(C)(C)[NH3+])cnc12 ZINC000414807569 386611829 /nfs/dbraw/zinc/61/18/29/386611829.db2.gz RNQJJLMKCSGJTG-UHFFFAOYSA-N 2 1 232.331 1.470 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[C@H]2CS3)CC[NH2+]1 ZINC000415108994 386615612 /nfs/dbraw/zinc/61/56/12/386615612.db2.gz LLTUIYZNMKWGTI-BJDJZHNGSA-N 2 1 226.389 1.564 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414927186 386682860 /nfs/dbraw/zinc/68/28/60/386682860.db2.gz LNZQHFRTDQMCFL-SDDRHHMPSA-N 2 1 226.364 1.532 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCc1ccc(F)cc1 ZINC000357079020 386710390 /nfs/dbraw/zinc/71/03/90/386710390.db2.gz CHMHVHDQEBANCY-UHFFFAOYSA-N 2 1 240.322 1.275 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000042471338 386686541 /nfs/dbraw/zinc/68/65/41/386686541.db2.gz LEQPRSXEEDVMLO-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H](C[NH3+])N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414926992 386689405 /nfs/dbraw/zinc/68/94/05/386689405.db2.gz KODUQBAEAAICHC-VNHYZAJKSA-N 2 1 247.386 1.759 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cc2ccccc2o1 ZINC000357074691 386711967 /nfs/dbraw/zinc/71/19/67/386711967.db2.gz NCXXHCLXUQPCLR-UHFFFAOYSA-N 2 1 248.326 1.840 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000414829232 386702342 /nfs/dbraw/zinc/70/23/42/386702342.db2.gz MABZYXKREJLOLF-NWDGAFQWSA-N 2 1 214.353 1.391 20 0 BDADMP Cn1cccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292835560 386731856 /nfs/dbraw/zinc/73/18/56/386731856.db2.gz RQZUPSDNGNLNAK-CQSZACIVSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1cccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292835560 386731861 /nfs/dbraw/zinc/73/18/61/386731861.db2.gz RQZUPSDNGNLNAK-CQSZACIVSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1cccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292835560 386731867 /nfs/dbraw/zinc/73/18/67/386731867.db2.gz RQZUPSDNGNLNAK-CQSZACIVSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1cccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292835560 386731878 /nfs/dbraw/zinc/73/18/78/386731878.db2.gz RQZUPSDNGNLNAK-CQSZACIVSA-N 2 1 233.359 1.553 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]CC[C@H]1CCOC1 ZINC000414837291 386734879 /nfs/dbraw/zinc/73/48/79/386734879.db2.gz JKTFWSJNDQYIHH-RYUDHWBXSA-N 2 1 214.353 1.376 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NCCC[NH+](C)C)c2c1C ZINC000645094369 386718997 /nfs/dbraw/zinc/71/89/97/386718997.db2.gz WBXOHEAXJGZKEK-UHFFFAOYSA-N 2 1 247.346 1.938 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1F ZINC000414834203 386720571 /nfs/dbraw/zinc/72/05/71/386720571.db2.gz HBPNMEWAQQNGDF-SNVBAGLBSA-N 2 1 210.296 1.771 20 0 BDADMP COc1cc(C)nc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414836340 386740157 /nfs/dbraw/zinc/74/01/57/386740157.db2.gz UUBVNVVFHBBURV-LBPRGKRZSA-N 2 1 249.358 1.488 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414928761 386721485 /nfs/dbraw/zinc/72/14/85/386721485.db2.gz MTDKSINHAFXLDR-SECBINFHSA-N 2 1 233.290 1.811 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1F ZINC000414834201 386721887 /nfs/dbraw/zinc/72/18/87/386721887.db2.gz HBPNMEWAQQNGDF-JTQLQIEISA-N 2 1 210.296 1.771 20 0 BDADMP CC[NH2+]CC[NH2+]C1Cc2ccccc2C1 ZINC000414835064 386727141 /nfs/dbraw/zinc/72/71/41/386727141.db2.gz UROGXMHACWCUOM-UHFFFAOYSA-N 2 1 204.317 1.353 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H]2CCCO)CC[NH2+]C1 ZINC000340700390 386747119 /nfs/dbraw/zinc/74/71/19/386747119.db2.gz HOSGXFXVJZAZPG-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1=O ZINC000647964947 386749288 /nfs/dbraw/zinc/74/92/88/386749288.db2.gz QOEIGAUKYYASED-ZDUSSCGKSA-N 2 1 249.358 1.089 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1(C)C ZINC000395218168 386751490 /nfs/dbraw/zinc/75/14/90/386751490.db2.gz RWFQBRYXJILWAS-QNWHQSFQSA-N 2 1 240.391 1.920 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000352860968 386769643 /nfs/dbraw/zinc/76/96/43/386769643.db2.gz DEZPEFLYHVOKRT-UHFFFAOYSA-N 2 1 248.374 1.682 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@@H](C)[C@H]1CN ZINC000430576943 386755575 /nfs/dbraw/zinc/75/55/75/386755575.db2.gz SZYSHFFGVBQZJU-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430576943 386755594 /nfs/dbraw/zinc/75/55/94/386755594.db2.gz SZYSHFFGVBQZJU-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430576943 386755595 /nfs/dbraw/zinc/75/55/95/386755595.db2.gz SZYSHFFGVBQZJU-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc2c1OCO2 ZINC000414843922 386767263 /nfs/dbraw/zinc/76/72/63/386767263.db2.gz QQQVUKRRMZLBAE-JTQLQIEISA-N 2 1 236.315 1.360 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)CC[NH+](C)C)c1 ZINC000348924890 386768706 /nfs/dbraw/zinc/76/87/06/386768706.db2.gz WLKNNNCZINNZNU-UHFFFAOYSA-N 2 1 237.347 1.392 20 0 BDADMP CC(C)[C@](C)(CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000336667554 386789818 /nfs/dbraw/zinc/78/98/18/386789818.db2.gz MGKHNVYJFNDRBA-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCO)[C@H](C)C1 ZINC000192935129 386803036 /nfs/dbraw/zinc/80/30/36/386803036.db2.gz NCFYUCDKFQUMNX-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC000051631155 386835916 /nfs/dbraw/zinc/83/59/16/386835916.db2.gz LMEAIWKHUDAIGU-CABCVRRESA-N 2 1 230.355 1.886 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395074151 386846054 /nfs/dbraw/zinc/84/60/54/386846054.db2.gz FOJQDXKBRMOKHM-SDDRHHMPSA-N 2 1 214.353 1.124 20 0 BDADMP CC1([NH2+]Cc2cccc3c2OCO3)CC[NH2+]CC1 ZINC000414942707 386893164 /nfs/dbraw/zinc/89/31/64/386893164.db2.gz MWGOYQKTMMWACV-UHFFFAOYSA-N 2 1 248.326 1.647 20 0 BDADMP C[C@@H](C[NH3+])N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414942723 386893728 /nfs/dbraw/zinc/89/37/28/386893728.db2.gz KODUQBAEAAICHC-KCQAQPDRSA-N 2 1 247.386 1.759 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)C[NH3+])C1 ZINC000414942721 386894656 /nfs/dbraw/zinc/89/46/56/386894656.db2.gz KODUQBAEAAICHC-GUTXKFCHSA-N 2 1 247.386 1.759 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCCC1(C)C ZINC000334837410 386878502 /nfs/dbraw/zinc/87/85/02/386878502.db2.gz LTASGZWTWDRXDO-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000331668052 386882466 /nfs/dbraw/zinc/88/24/66/386882466.db2.gz RHQDHYQKSSQBTN-XQHKEYJVSA-N 2 1 225.380 1.363 20 0 BDADMP Cc1nc(C)c(C[NH2+]C2(C)CC[NH2+]CC2)s1 ZINC000334840796 386883658 /nfs/dbraw/zinc/88/36/58/386883658.db2.gz CGSWLMGTVYOXNY-UHFFFAOYSA-N 2 1 239.388 1.992 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CC[NH2+]1 ZINC000334861873 386915373 /nfs/dbraw/zinc/91/53/73/386915373.db2.gz FFWAIGKXGTXFPU-ZYHUDNBSSA-N 2 1 220.316 1.622 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358227327 386915457 /nfs/dbraw/zinc/91/54/57/386915457.db2.gz DQYBAEXSVVCBNS-OCCSQVGLSA-N 2 1 234.343 1.404 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358227327 386915460 /nfs/dbraw/zinc/91/54/60/386915460.db2.gz DQYBAEXSVVCBNS-OCCSQVGLSA-N 2 1 234.343 1.404 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)CC[NH2+]1 ZINC000334861867 386916081 /nfs/dbraw/zinc/91/60/81/386916081.db2.gz FFWAIGKXGTXFPU-JQWIXIFHSA-N 2 1 220.316 1.622 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CC[NH2+]1 ZINC000334861864 386916090 /nfs/dbraw/zinc/91/60/90/386916090.db2.gz FFWAIGKXGTXFPU-CMPLNLGQSA-N 2 1 220.316 1.622 20 0 BDADMP COC[C@@]1(C[NH2+][C@@H]2CCCSC2)CCC[NH2+]1 ZINC000414941883 386896223 /nfs/dbraw/zinc/89/62/23/386896223.db2.gz JNMHMOGLXRPLCO-NEPJUHHUSA-N 2 1 244.404 1.240 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000366732960 386913382 /nfs/dbraw/zinc/91/33/82/386913382.db2.gz YNHUEXFQSVABJG-AAEUAGOBSA-N 2 1 249.358 1.460 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358265388 386924432 /nfs/dbraw/zinc/92/44/32/386924432.db2.gz ZUZLJGGHBAKSTJ-CABCVRRESA-N 2 1 248.370 1.794 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358265388 386924436 /nfs/dbraw/zinc/92/44/36/386924436.db2.gz ZUZLJGGHBAKSTJ-CABCVRRESA-N 2 1 248.370 1.794 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334868489 386926019 /nfs/dbraw/zinc/92/60/19/386926019.db2.gz KJVZTVXRZYCAQO-TZMCWYRMSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334868489 386926023 /nfs/dbraw/zinc/92/60/23/386926023.db2.gz KJVZTVXRZYCAQO-TZMCWYRMSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000334868006 386926791 /nfs/dbraw/zinc/92/67/91/386926791.db2.gz HRDOWPLCXBHMJQ-KBPBESRZSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000334868006 386926795 /nfs/dbraw/zinc/92/67/95/386926795.db2.gz HRDOWPLCXBHMJQ-KBPBESRZSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334868837 386928111 /nfs/dbraw/zinc/92/81/11/386928111.db2.gz MRBBTPSOXZPVBJ-GXTWGEPZSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334868837 386928117 /nfs/dbraw/zinc/92/81/17/386928117.db2.gz MRBBTPSOXZPVBJ-GXTWGEPZSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000334872261 386933139 /nfs/dbraw/zinc/93/31/39/386933139.db2.gz CNXUTTSPUVEWBB-PELKAZGASA-N 2 1 224.735 1.744 20 0 BDADMP Cc1cc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC000336745732 387007414 /nfs/dbraw/zinc/00/74/14/387007414.db2.gz QWEVWPKSGOUKLH-YPMHNXCESA-N 2 1 219.332 1.707 20 0 BDADMP C[NH+](CC1(C)COC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352923766 386967742 /nfs/dbraw/zinc/96/77/42/386967742.db2.gz WZJRGODHESDCBB-FUNVUKJBSA-N 2 1 238.375 1.580 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000425363733 386972631 /nfs/dbraw/zinc/97/26/31/386972631.db2.gz XTVCDTNMNPLTEN-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341871437 386979355 /nfs/dbraw/zinc/97/93/55/386979355.db2.gz FVFATLZXXZTDAN-RFQIPJPRSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](N[C@@H]1C[N@@H+](C)C[C@H]1C)c1cncc(F)c1 ZINC000358411395 386951388 /nfs/dbraw/zinc/95/13/88/386951388.db2.gz XGHMOOHSNPGYNZ-GBIKHYSHSA-N 2 1 237.322 1.821 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1(C(N)=O)CCCC1 ZINC000333710361 387051790 /nfs/dbraw/zinc/05/17/90/387051790.db2.gz SFYPUUOLQLFMNO-NSHDSACASA-N 2 1 239.363 1.766 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCC[NH2+]1 ZINC000333249512 387022125 /nfs/dbraw/zinc/02/21/25/387022125.db2.gz GMTPWDXOUCSQDO-AGIUHOORSA-N 2 1 248.374 1.387 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCCC[NH2+]1 ZINC000333344071 387028491 /nfs/dbraw/zinc/02/84/91/387028491.db2.gz YTPWISBWASLALW-UHTWSYAYSA-N 2 1 248.374 1.387 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)C[C@H]12 ZINC000359223267 387070867 /nfs/dbraw/zinc/07/08/67/387070867.db2.gz QYZVIOFNJCBZQR-MELADBBJSA-N 3 1 237.391 1.045 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@@]3(CC[NH2+]C3)C2)[nH]1 ZINC000333905087 387074907 /nfs/dbraw/zinc/07/49/07/387074907.db2.gz JRHYFDDCGWSSRO-CYBMUJFWSA-N 2 1 243.314 1.148 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000111380888 387077907 /nfs/dbraw/zinc/07/79/07/387077907.db2.gz ONRBDRUNBOBSPW-AWEZNQCLSA-N 2 1 233.359 1.827 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCOCC1 ZINC000118942566 387079994 /nfs/dbraw/zinc/07/99/94/387079994.db2.gz VSHUZUQVZKJONP-BXUZGUMPSA-N 2 1 240.391 1.731 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000336765521 387095422 /nfs/dbraw/zinc/09/54/22/387095422.db2.gz ODGMESIPVAXMPQ-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000336765521 387095428 /nfs/dbraw/zinc/09/54/28/387095428.db2.gz ODGMESIPVAXMPQ-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000423300071 387131716 /nfs/dbraw/zinc/13/17/16/387131716.db2.gz DDMFGKKYLWNZCI-SECBINFHSA-N 2 1 234.299 1.285 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2)CC[N@H+]1C ZINC000247190938 387131809 /nfs/dbraw/zinc/13/18/09/387131809.db2.gz UKZGSURRWGIAJM-GRYCIOLGSA-N 2 1 228.405 1.954 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335026235 387118056 /nfs/dbraw/zinc/11/80/56/387118056.db2.gz FMJRZRVNUARLLK-ZDUSSCGKSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336767110 387121216 /nfs/dbraw/zinc/12/12/16/387121216.db2.gz SFECHKSTBYZYSU-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336767110 387121220 /nfs/dbraw/zinc/12/12/20/387121220.db2.gz SFECHKSTBYZYSU-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000335030033 387124371 /nfs/dbraw/zinc/12/43/71/387124371.db2.gz MRQVHMGVJAXLAP-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)[C@H]1CCC[NH2+]CC1 ZINC000250454860 387124947 /nfs/dbraw/zinc/12/49/47/387124947.db2.gz WFWLODQYNNXXKN-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000334980289 387067760 /nfs/dbraw/zinc/06/77/60/387067760.db2.gz MBPJUUKJQFVGAP-VXGBXAGGSA-N 2 1 235.331 1.496 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423309049 387147177 /nfs/dbraw/zinc/14/71/77/387147177.db2.gz YQSFNXBNEBBDNR-WOPDTQHZSA-N 2 1 212.337 1.143 20 0 BDADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c(F)cn1 ZINC000423312933 387152320 /nfs/dbraw/zinc/15/23/20/387152320.db2.gz VUJVICCBXVQJQS-IUCAKERBSA-N 2 1 241.310 1.475 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C12CCC2 ZINC000423318171 387158188 /nfs/dbraw/zinc/15/81/88/387158188.db2.gz CTYOPRYSXAKACQ-GMTAPVOTSA-N 2 1 212.337 1.271 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C12CCC2 ZINC000423318172 387159129 /nfs/dbraw/zinc/15/91/29/387159129.db2.gz CTYOPRYSXAKACQ-MXWKQRLJSA-N 2 1 212.337 1.271 20 0 BDADMP C[C@@H](O)[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000571790789 387171499 /nfs/dbraw/zinc/17/14/99/387171499.db2.gz AFLYRCADHBTTCL-ZFDZMSFRSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(CO)c1 ZINC000423329262 387172231 /nfs/dbraw/zinc/17/22/31/387172231.db2.gz OLKOHGHDTQCEFN-NSHDSACASA-N 2 1 234.343 1.711 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423331172 387176692 /nfs/dbraw/zinc/17/66/92/387176692.db2.gz PTFGYLMGVHHGOD-ZWNOBZJWSA-N 2 1 219.332 1.860 20 0 BDADMP C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1C ZINC000423335893 387182993 /nfs/dbraw/zinc/18/29/93/387182993.db2.gz SIAGTIOZCLHHGI-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000423335893 387182999 /nfs/dbraw/zinc/18/29/99/387182999.db2.gz SIAGTIOZCLHHGI-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[N@H+]1C ZINC000423335893 387183005 /nfs/dbraw/zinc/18/30/05/387183005.db2.gz SIAGTIOZCLHHGI-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000423300072 387133115 /nfs/dbraw/zinc/13/31/15/387133115.db2.gz DDMFGKKYLWNZCI-VIFPVBQESA-N 2 1 234.299 1.285 20 0 BDADMP C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423303061 387136530 /nfs/dbraw/zinc/13/65/30/387136530.db2.gz KXFAFMNQTGPHSP-XQHKEYJVSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287712 387137982 /nfs/dbraw/zinc/13/79/82/387137982.db2.gz IKADZZUFCZJQOE-FPMFFAJLSA-N 2 1 216.328 1.899 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423304113 387138221 /nfs/dbraw/zinc/13/82/21/387138221.db2.gz JXJYTCVCKOJLET-AAVRWANBSA-N 3 1 239.407 1.482 20 0 BDADMP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423351988 387202456 /nfs/dbraw/zinc/20/24/56/387202456.db2.gz JIZHSPZOMWZKJY-STQMWFEESA-N 3 1 223.364 1.026 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423357021 387208640 /nfs/dbraw/zinc/20/86/40/387208640.db2.gz RRBPXCMVZSBHDW-YPMHNXCESA-N 3 1 223.364 1.026 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000423357021 387208643 /nfs/dbraw/zinc/20/86/43/387208643.db2.gz RRBPXCMVZSBHDW-YPMHNXCESA-N 2 1 223.364 1.026 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423359092 387209418 /nfs/dbraw/zinc/20/94/18/387209418.db2.gz KDCXRYWXPPRQDY-ZOBORPQBSA-N 2 1 240.391 1.779 20 0 BDADMP Oc1cccc2c1CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423427589 387252774 /nfs/dbraw/zinc/25/27/74/387252774.db2.gz IPSYPIQKARBVDT-COMQUAJESA-N 2 1 244.338 1.577 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423360685 387212939 /nfs/dbraw/zinc/21/29/39/387212939.db2.gz GDYSCGZHHLSZPZ-ZDMBXUJBSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423425480 387252856 /nfs/dbraw/zinc/25/28/56/387252856.db2.gz GUSFZPZFMTXWLU-UTUOFQBUSA-N 2 1 213.369 1.234 20 0 BDADMP COc1cccc(C[C@H]([NH2+][C@@H](C)C[NH3+])C2CC2)c1 ZINC000423360470 387213656 /nfs/dbraw/zinc/21/36/56/387213656.db2.gz FNYIJMYVVRUMOE-NHYWBVRUSA-N 2 1 248.370 1.953 20 0 BDADMP C[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000423364706 387215068 /nfs/dbraw/zinc/21/50/68/387215068.db2.gz OXYMJFOMSTUPDF-XQQFMLRXSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423367791 387220149 /nfs/dbraw/zinc/22/01/49/387220149.db2.gz RKPKLHJBXHHITC-AAVRWANBSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367791 387220154 /nfs/dbraw/zinc/22/01/54/387220154.db2.gz RKPKLHJBXHHITC-AAVRWANBSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367791 387220157 /nfs/dbraw/zinc/22/01/57/387220157.db2.gz RKPKLHJBXHHITC-AAVRWANBSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2c(c1)COC2 ZINC000423368057 387222145 /nfs/dbraw/zinc/22/21/45/387222145.db2.gz MWYRAZAVODOAID-VHSXEESVSA-N 2 1 220.316 1.715 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)OC ZINC000353554857 387228650 /nfs/dbraw/zinc/22/86/50/387228650.db2.gz APYQYAXNBGEDPW-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000423325936 387229330 /nfs/dbraw/zinc/22/93/30/387229330.db2.gz CGJHGRZPALVUCC-QNMSZWNNSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423396366 387232180 /nfs/dbraw/zinc/23/21/80/387232180.db2.gz NSTRIYKBGKSPJE-DCAQKATOSA-N 2 1 202.317 1.842 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423401506 387236703 /nfs/dbraw/zinc/23/67/03/387236703.db2.gz QXQFIUMBDQJVHY-UMSGYPCISA-N 2 1 226.364 1.519 20 0 BDADMP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423429039 387253895 /nfs/dbraw/zinc/25/38/95/387253895.db2.gz JXHSNXKYDCSYFH-WVWOOGAGSA-N 2 1 232.302 1.620 20 0 BDADMP C[C@@H](N[C@@H](C)CCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000423425479 387252143 /nfs/dbraw/zinc/25/21/43/387252143.db2.gz GUSFZPZFMTXWLU-TUAOUCFPSA-N 2 1 213.369 1.234 20 0 BDADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423429021 387255433 /nfs/dbraw/zinc/25/54/33/387255433.db2.gz JVPFCWRCVYQISA-IKSZGEOFSA-N 2 1 246.354 1.570 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000423387296 387270711 /nfs/dbraw/zinc/27/07/11/387270711.db2.gz RWUYTAPPBYULPG-MDZLAQPJSA-N 2 1 236.363 1.694 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H](COC)C(C)C ZINC000423385945 387272150 /nfs/dbraw/zinc/27/21/50/387272150.db2.gz RMNSTYJQHQYJDE-GHMZBOCLSA-N 2 1 202.342 1.245 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423388781 387273315 /nfs/dbraw/zinc/27/33/15/387273315.db2.gz IUCIAFIZTDETKL-QWRGUYRKSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000423390694 387276820 /nfs/dbraw/zinc/27/68/20/387276820.db2.gz KEMNOLPVDIFXGG-POQQGIQPSA-N 2 1 239.407 1.445 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CCCO1 ZINC000423394263 387281146 /nfs/dbraw/zinc/28/11/46/387281146.db2.gz RXAATOJLNOZPMY-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000423395169 387281354 /nfs/dbraw/zinc/28/13/54/387281354.db2.gz NGAGPHVSSLNMBN-NMKXLXIOSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CN1C1CC1 ZINC000423395169 387281360 /nfs/dbraw/zinc/28/13/60/387281360.db2.gz NGAGPHVSSLNMBN-NMKXLXIOSA-N 2 1 237.391 1.199 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423395885 387281982 /nfs/dbraw/zinc/28/19/82/387281982.db2.gz SZSYRNYJKPSANK-LNFKQOIKSA-N 2 1 200.326 1.140 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423431501 387283345 /nfs/dbraw/zinc/28/33/45/387283345.db2.gz LPSLLVQNPSAYGV-YIYPIFLZSA-N 3 1 241.423 1.822 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000423431501 387283353 /nfs/dbraw/zinc/28/33/53/387283353.db2.gz LPSLLVQNPSAYGV-YIYPIFLZSA-N 2 1 241.423 1.822 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423432314 387283683 /nfs/dbraw/zinc/28/36/83/387283683.db2.gz BALMETLRDQKLCK-VWYCJHECSA-N 2 1 207.321 1.776 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526384 387288131 /nfs/dbraw/zinc/28/81/31/387288131.db2.gz NBUUGZRFMAPANS-LBPRGKRZSA-N 2 1 222.336 1.421 20 0 BDADMP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423440593 387290282 /nfs/dbraw/zinc/29/02/82/387290282.db2.gz TZFGJLZBYVGMAM-ZNSHCXBVSA-N 2 1 222.357 1.925 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423455583 387304885 /nfs/dbraw/zinc/30/48/85/387304885.db2.gz MQTIUKDALPWDGA-AAVRWANBSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000423455583 387304890 /nfs/dbraw/zinc/30/48/90/387304890.db2.gz MQTIUKDALPWDGA-AAVRWANBSA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423459406 387307330 /nfs/dbraw/zinc/30/73/30/387307330.db2.gz HYPXTPGJXTYYRI-GXFFZTMASA-N 2 1 222.332 1.567 20 0 BDADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423520218 387354225 /nfs/dbraw/zinc/35/42/25/387354225.db2.gz PXJFIFUROMQAEG-MELADBBJSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423541992 387365248 /nfs/dbraw/zinc/36/52/48/387365248.db2.gz AKKVTTJCXKYMOC-NWDGAFQWSA-N 2 1 234.347 1.139 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)[C@@H](C)O1 ZINC000423543443 387368055 /nfs/dbraw/zinc/36/80/55/387368055.db2.gz BVVUKOVUDKNOBT-WYUUTHIRSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000360933143 387368764 /nfs/dbraw/zinc/36/87/64/387368764.db2.gz JVZKHTUWSXSJCV-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000360933143 387368769 /nfs/dbraw/zinc/36/87/69/387368769.db2.gz JVZKHTUWSXSJCV-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C(C)C ZINC000423571380 387379424 /nfs/dbraw/zinc/37/94/24/387379424.db2.gz XKFBRTNCUYXMIR-VXGBXAGGSA-N 2 1 214.353 1.389 20 0 BDADMP CC(C)OC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000390434832 387326901 /nfs/dbraw/zinc/32/69/01/387326901.db2.gz BLGZJDIUDYMTQL-UHFFFAOYSA-N 2 1 214.353 1.613 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643462722 387327734 /nfs/dbraw/zinc/32/77/34/387327734.db2.gz IAQDIYAVHSJLFY-PEUVFPKISA-N 2 1 249.402 1.343 20 0 BDADMP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1c[nH+]ccc1N ZINC000423482639 387329483 /nfs/dbraw/zinc/32/94/83/387329483.db2.gz PLRREBRRNCRBGJ-VXGBXAGGSA-N 3 1 248.374 1.677 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000354088220 387329973 /nfs/dbraw/zinc/32/99/73/387329973.db2.gz MMDZGDXMMYMUMQ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423482384 387329987 /nfs/dbraw/zinc/32/99/87/387329987.db2.gz RLOOWWVOEMNNLS-KBPBESRZSA-N 2 1 239.407 1.615 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423503918 387342806 /nfs/dbraw/zinc/34/28/06/387342806.db2.gz NEXAQOPJXUJNOO-WCQYABFASA-N 3 1 227.396 1.611 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000423506818 387345458 /nfs/dbraw/zinc/34/54/58/387345458.db2.gz PMSZOCGDTYHYOM-IACUBPJLSA-N 2 1 239.407 1.434 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423514430 387349564 /nfs/dbraw/zinc/34/95/64/387349564.db2.gz WOEOUDCNGDDLFG-HOSYDEDBSA-N 2 1 214.353 1.517 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000643501194 387350847 /nfs/dbraw/zinc/35/08/47/387350847.db2.gz ADKJAZSCQHOZIP-AGIUHOORSA-N 2 1 226.364 1.533 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501318 387352239 /nfs/dbraw/zinc/35/22/39/387352239.db2.gz CTRBNGRTNXAKOH-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCOC1 ZINC000400645133 387352395 /nfs/dbraw/zinc/35/23/95/387352395.db2.gz UIBKSPQRAJANGF-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP COc1ccc(C)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000084529859 387451319 /nfs/dbraw/zinc/45/13/19/387451319.db2.gz IZYMQPRAVWHAIP-UHFFFAOYSA-N 2 1 234.343 1.845 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643505537 387451507 /nfs/dbraw/zinc/45/15/07/387451507.db2.gz YTYIZMHTQOKXBF-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000643466269 387387384 /nfs/dbraw/zinc/38/73/84/387387384.db2.gz OAZNFKCZAVSVMJ-QWHCGFSZSA-N 2 1 240.391 1.517 20 0 BDADMP C(C[NH2+]C1CCSCC1)[NH2+]C1CC1 ZINC000643506154 387465467 /nfs/dbraw/zinc/46/54/67/387465467.db2.gz MDWGHBGRSUVQDP-UHFFFAOYSA-N 2 1 200.351 1.224 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)CCO1 ZINC000643507899 387479749 /nfs/dbraw/zinc/47/97/49/387479749.db2.gz VQZGENCRNKKTKA-CHWSQXEVSA-N 2 1 226.364 1.532 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422714375 387628428 /nfs/dbraw/zinc/62/84/28/387628428.db2.gz QUURTEDEZQRGOY-KGLIPLIRSA-N 2 1 241.423 1.839 20 0 BDADMP COC(C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000375934886 387594630 /nfs/dbraw/zinc/59/46/30/387594630.db2.gz XUQOKOQALRFWIK-NSHDSACASA-N 2 1 230.352 1.021 20 0 BDADMP COC(C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000375934886 387594632 /nfs/dbraw/zinc/59/46/32/387594632.db2.gz XUQOKOQALRFWIK-NSHDSACASA-N 2 1 230.352 1.021 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000422558116 387600344 /nfs/dbraw/zinc/60/03/44/387600344.db2.gz ADJZZMWXUCCPFS-VWYCJHECSA-N 2 1 222.336 1.215 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000422558116 387600346 /nfs/dbraw/zinc/60/03/46/387600346.db2.gz ADJZZMWXUCCPFS-VWYCJHECSA-N 2 1 222.336 1.215 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561072 387602450 /nfs/dbraw/zinc/60/24/50/387602450.db2.gz IVZHOGMHWBPNQJ-BNDIWNMDSA-N 2 1 210.365 1.948 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn2ccsc2n1 ZINC000422705335 387620270 /nfs/dbraw/zinc/62/02/70/387620270.db2.gz RGEAKOOZXMATCT-IUCAKERBSA-N 2 1 238.360 1.611 20 0 BDADMP CCCC[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705185 387620297 /nfs/dbraw/zinc/62/02/97/387620297.db2.gz BIPJQVHTQCPYRO-PBWFPOADSA-N 2 1 239.407 1.591 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422707909 387620809 /nfs/dbraw/zinc/62/08/09/387620809.db2.gz IKFQGLSGKGAHLA-UONOGXRCSA-N 2 1 241.423 1.825 20 0 BDADMP CCCCN(C)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422707909 387620814 /nfs/dbraw/zinc/62/08/14/387620814.db2.gz IKFQGLSGKGAHLA-UONOGXRCSA-N 2 1 241.423 1.825 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422706733 387621003 /nfs/dbraw/zinc/62/10/03/387621003.db2.gz FSZIRVQLJYQMFA-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422708588 387622358 /nfs/dbraw/zinc/62/23/58/387622358.db2.gz JHRFNGJUFZOAID-YFKTTZPYSA-N 2 1 214.353 1.124 20 0 BDADMP CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422709676 387622460 /nfs/dbraw/zinc/62/24/60/387622460.db2.gz ZOEIHLXNVLFOSA-IJLUTSLNSA-N 2 1 241.379 1.021 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000452000975 387694159 /nfs/dbraw/zinc/69/41/59/387694159.db2.gz CEHFBWDCABONTE-WCQYABFASA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H]1CCC(C)(C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000452000975 387694166 /nfs/dbraw/zinc/69/41/66/387694166.db2.gz CEHFBWDCABONTE-WCQYABFASA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H]1CCC(C)(C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000452000975 387694170 /nfs/dbraw/zinc/69/41/70/387694170.db2.gz CEHFBWDCABONTE-WCQYABFASA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430578845 387630250 /nfs/dbraw/zinc/63/02/50/387630250.db2.gz BNWJDQBJGXJZDU-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000042589484 387633381 /nfs/dbraw/zinc/63/33/81/387633381.db2.gz ZKNMHTVIQHFACG-OLZOCXBDSA-N 2 1 230.396 1.713 20 0 BDADMP CC[C@H](NCC[N@@H+](C)CC)[C@@H]1CCC[NH2+]1 ZINC000422723032 387633601 /nfs/dbraw/zinc/63/36/01/387633601.db2.gz ZLBAYJCPPGRCHZ-RYUDHWBXSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000422727870 387634948 /nfs/dbraw/zinc/63/49/48/387634948.db2.gz IICUMGURVIRQKY-BXUZGUMPSA-N 2 1 236.334 1.956 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000422734434 387642550 /nfs/dbraw/zinc/64/25/50/387642550.db2.gz SIBJJXOYRIVHCC-AAEUAGOBSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430749868 387646951 /nfs/dbraw/zinc/64/69/51/387646951.db2.gz XTFAACKQDDHCQH-GHMZBOCLSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000422744953 387648956 /nfs/dbraw/zinc/64/89/56/387648956.db2.gz ULNHMXKGGOQHQF-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000422747409 387650632 /nfs/dbraw/zinc/65/06/32/387650632.db2.gz YMOKRHUWDOQSSO-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@@H+](C)C1CC1 ZINC000422747882 387651158 /nfs/dbraw/zinc/65/11/58/387651158.db2.gz ZSSIWNRFMGLENZ-MNOVXSKESA-N 2 1 248.374 1.627 20 0 BDADMP C[C@H](CN[C@H](C)c1c[nH+]ccc1N)[N@@H+](C)C1CC1 ZINC000422747881 387651476 /nfs/dbraw/zinc/65/14/76/387651476.db2.gz ZSSIWNRFMGLENZ-GHMZBOCLSA-N 2 1 248.374 1.627 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000422750260 387655119 /nfs/dbraw/zinc/65/51/19/387655119.db2.gz AJTWHVSZHYVMHJ-IJLUTSLNSA-N 2 1 248.326 1.296 20 0 BDADMP CSC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422755209 387657677 /nfs/dbraw/zinc/65/76/77/387657677.db2.gz KMFHGSYAOUTHPU-OUAUKWLOSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1C[NH2+]C1 ZINC000422758749 387660715 /nfs/dbraw/zinc/66/07/15/387660715.db2.gz OHONCNHNOGRGIP-SNVBAGLBSA-N 2 1 248.326 1.155 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422756878 387661092 /nfs/dbraw/zinc/66/10/92/387661092.db2.gz MATOIFNESNIGJV-SDDRHHMPSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000430918481 387661212 /nfs/dbraw/zinc/66/12/12/387661212.db2.gz NEJRHVROUONIPJ-DZGCQCFKSA-N 2 1 247.386 1.792 20 0 BDADMP C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)C1C[NH2+]C1 ZINC000422756463 387661285 /nfs/dbraw/zinc/66/12/85/387661285.db2.gz LMWRBPVKFHNMNG-IUODEOHRSA-N 2 1 247.386 1.487 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422760285 387663274 /nfs/dbraw/zinc/66/32/74/387663274.db2.gz LSTBEVCNVXFLBY-NWDGAFQWSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000422759734 387663662 /nfs/dbraw/zinc/66/36/62/387663662.db2.gz GARNEAVVGJKHTE-MJBXVCDLSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000422759734 387663666 /nfs/dbraw/zinc/66/36/66/387663666.db2.gz GARNEAVVGJKHTE-MJBXVCDLSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000422759734 387663670 /nfs/dbraw/zinc/66/36/70/387663670.db2.gz GARNEAVVGJKHTE-MJBXVCDLSA-N 3 1 241.423 1.966 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422765514 387666228 /nfs/dbraw/zinc/66/62/28/387666228.db2.gz WJAGNYYNFOFBRB-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422765514 387666229 /nfs/dbraw/zinc/66/62/29/387666229.db2.gz WJAGNYYNFOFBRB-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H](COC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422767833 387667340 /nfs/dbraw/zinc/66/73/40/387667340.db2.gz RRWUDSRBGGOMOB-VWYCJHECSA-N 2 1 200.326 1.142 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422766502 387667960 /nfs/dbraw/zinc/66/79/60/387667960.db2.gz XLQNYODLPBOUSB-RWMBFGLXSA-N 2 1 225.380 1.201 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422766496 387668592 /nfs/dbraw/zinc/66/85/92/387668592.db2.gz XLNOHKNVQPXZQI-KXUCPTDWSA-N 2 1 202.367 1.326 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422772152 387670109 /nfs/dbraw/zinc/67/01/09/387670109.db2.gz YXDKWMFWXYVATC-XQQFMLRXSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000422786373 387686958 /nfs/dbraw/zinc/68/69/58/387686958.db2.gz QHFWCOJUYPUTIN-NDBYEHHHSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422786115 387687448 /nfs/dbraw/zinc/68/74/48/387687448.db2.gz SBCMXWLZTMSTBV-CYDGBPFRSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422743906 387690578 /nfs/dbraw/zinc/69/05/78/387690578.db2.gz SDDZISNOVSUJHI-XBFCOCLRSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N(C)C1CC1 ZINC000422743906 387690583 /nfs/dbraw/zinc/69/05/83/387690583.db2.gz SDDZISNOVSUJHI-XBFCOCLRSA-N 2 1 239.407 1.719 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422742840 387690680 /nfs/dbraw/zinc/69/06/80/387690680.db2.gz QTNLCCUISWUGEA-CHWSQXEVSA-N 2 1 220.316 1.148 20 0 BDADMP CCCCOCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422790296 387691802 /nfs/dbraw/zinc/69/18/02/387691802.db2.gz XOAFEDBNSLNDIN-NSHDSACASA-N 2 1 237.347 1.961 20 0 BDADMP C[C@H]1CCC(C)(C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000452000975 387694156 /nfs/dbraw/zinc/69/41/56/387694156.db2.gz CEHFBWDCABONTE-WCQYABFASA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])C[N@H+]1C1CC1 ZINC000422861760 387745076 /nfs/dbraw/zinc/74/50/76/387745076.db2.gz JNNRUFPINIRTRQ-LYIQGSDWSA-N 2 1 223.364 1.081 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CN1C1CC1 ZINC000422861760 387745078 /nfs/dbraw/zinc/74/50/78/387745078.db2.gz JNNRUFPINIRTRQ-LYIQGSDWSA-N 2 1 223.364 1.081 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC(C)CC1 ZINC000422867010 387746253 /nfs/dbraw/zinc/74/62/53/387746253.db2.gz RNQDATOUGXOURR-STQMWFEESA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000422863802 387746530 /nfs/dbraw/zinc/74/65/30/387746530.db2.gz MBHYSJFDLURPIO-NRWUCQMLSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CN1C1CC1 ZINC000422863802 387746533 /nfs/dbraw/zinc/74/65/33/387746533.db2.gz MBHYSJFDLURPIO-NRWUCQMLSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000643526215 387749979 /nfs/dbraw/zinc/74/99/79/387749979.db2.gz UWHQFHGREIYBIB-IUCAKERBSA-N 2 1 222.288 1.413 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871385 387750278 /nfs/dbraw/zinc/75/02/78/387750278.db2.gz ZYKKWJFGZYPKMM-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000422872448 387752787 /nfs/dbraw/zinc/75/27/87/387752787.db2.gz HEAXUTXAGSMDHA-WOPDTQHZSA-N 2 1 228.405 1.860 20 0 BDADMP CC(C)COCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422794555 387696933 /nfs/dbraw/zinc/69/69/33/387696933.db2.gz ZAGZBUAGEQAHRZ-QWHCGFSZSA-N 2 1 228.380 1.637 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422807573 387705463 /nfs/dbraw/zinc/70/54/63/387705463.db2.gz MUHLFBQSLPFIDS-TUAOUCFPSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@H]([NH2+]CCCn1cccn1)c1c[nH+]ccc1N ZINC000422807995 387706051 /nfs/dbraw/zinc/70/60/51/387706051.db2.gz KRMGQFXPRWSBMI-NSHDSACASA-N 2 1 245.330 1.432 20 0 BDADMP c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000422808611 387708548 /nfs/dbraw/zinc/70/85/48/387708548.db2.gz LDTBMKKEYCHHMT-YNEHKIRRSA-N 2 1 234.347 1.318 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422810911 387708755 /nfs/dbraw/zinc/70/87/55/387708755.db2.gz UYFCIKKECAVSQV-UONOGXRCSA-N 2 1 247.342 1.614 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422817130 387715380 /nfs/dbraw/zinc/71/53/80/387715380.db2.gz GUJCDSSWYHIEMC-QWHCGFSZSA-N 3 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000422821978 387718168 /nfs/dbraw/zinc/71/81/68/387718168.db2.gz ZMNMCCSFWKMRFQ-SMDDNHRTSA-N 2 1 218.344 1.945 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000422822446 387718286 /nfs/dbraw/zinc/71/82/86/387718286.db2.gz KAQVNFHSLCHDCP-SRVKXCTJSA-N 2 1 245.436 1.139 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422824120 387719604 /nfs/dbraw/zinc/71/96/04/387719604.db2.gz MYIDCHLRENINNO-VXGBXAGGSA-N 2 1 215.385 1.434 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422876682 387755552 /nfs/dbraw/zinc/75/55/52/387755552.db2.gz GHPJUCKDWKNYKV-QWHCGFSZSA-N 2 1 227.396 1.447 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422835739 387729556 /nfs/dbraw/zinc/72/95/56/387729556.db2.gz IZAAMTCDUQSORD-MBNYWOFBSA-N 2 1 233.359 1.743 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422910130 387768969 /nfs/dbraw/zinc/76/89/69/387768969.db2.gz PVWLZNAGFHXQQP-UTUOFQBUSA-N 2 1 215.385 1.432 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[NH3+])CC2 ZINC000643528490 387769063 /nfs/dbraw/zinc/76/90/63/387769063.db2.gz KDMRLTGJRGGNLC-GWCFXTLKSA-N 2 1 204.317 1.919 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909512 387770146 /nfs/dbraw/zinc/77/01/46/387770146.db2.gz OEZNWYRHNOBTCS-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccnc1 ZINC000643528655 387770360 /nfs/dbraw/zinc/77/03/60/387770360.db2.gz MOIVNLDIDXREIM-PWSUYJOCSA-N 2 1 207.321 1.716 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422912037 387771782 /nfs/dbraw/zinc/77/17/82/387771782.db2.gz VABUOIXBAKLJSJ-BFHYXJOUSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422916163 387773270 /nfs/dbraw/zinc/77/32/70/387773270.db2.gz CNRMXAMKIBDUBV-GRYCIOLGSA-N 2 1 228.380 1.371 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000643529124 387774663 /nfs/dbraw/zinc/77/46/63/387774663.db2.gz VOSKHCDVILHTRF-VXGBXAGGSA-N 2 1 244.342 1.870 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000422921038 387775529 /nfs/dbraw/zinc/77/55/29/387775529.db2.gz ONBYDEKPIJKHOZ-OPRDCNLKSA-N 2 1 200.351 1.222 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CC12CC2 ZINC000527892080 387776697 /nfs/dbraw/zinc/77/66/97/387776697.db2.gz NAIHGOFEWWARJY-CMPLNLGQSA-N 2 1 219.332 1.741 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000527945425 387782151 /nfs/dbraw/zinc/78/21/51/387782151.db2.gz RCMJDFMVJFTTNM-WCQYABFASA-N 2 1 208.349 1.882 20 0 BDADMP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1F ZINC000422947569 387785797 /nfs/dbraw/zinc/78/57/97/387785797.db2.gz YLVHJXCUDOTYDP-VIFPVBQESA-N 2 1 238.306 1.532 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)n1 ZINC000359973246 387792374 /nfs/dbraw/zinc/79/23/74/387792374.db2.gz KBTLWFHZJFRTSC-NSHDSACASA-N 2 1 245.330 1.143 20 0 BDADMP Cn1ccc(CN2CC[C@H](c3nccn3C)C2)n1 ZINC000359973246 387792381 /nfs/dbraw/zinc/79/23/81/387792381.db2.gz KBTLWFHZJFRTSC-NSHDSACASA-N 2 1 245.330 1.143 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])n[nH]1 ZINC000422987924 387798065 /nfs/dbraw/zinc/79/80/65/387798065.db2.gz HVEQISBDMOUCNF-WDEREUQCSA-N 2 1 238.379 1.756 20 0 BDADMP CC[C@H]([NH2+]CCn1cccn1)[C@@H]1CCC[NH2+]1 ZINC000422988296 387798599 /nfs/dbraw/zinc/79/85/99/387798599.db2.gz KEUWZRVBWNYRQL-RYUDHWBXSA-N 2 1 222.336 1.003 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccccc21 ZINC000422990106 387800933 /nfs/dbraw/zinc/80/09/33/387800933.db2.gz BNIQKVSVXQVWRQ-IDTSFGKNSA-N 2 1 244.338 1.658 20 0 BDADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423001007 387804636 /nfs/dbraw/zinc/80/46/36/387804636.db2.gz HHBGGLGPODRGTQ-RWMBFGLXSA-N 2 1 242.407 1.760 20 0 BDADMP C[C@@H]([NH2+]CCCc1ccccn1)[C@H]1CCC[NH2+]1 ZINC000423001480 387804708 /nfs/dbraw/zinc/80/47/08/387804708.db2.gz XICAHHJOCSMZKY-TZMCWYRMSA-N 2 1 233.359 1.744 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422999457 387805506 /nfs/dbraw/zinc/80/55/06/387805506.db2.gz FDWJARSPCVOWAF-RYUDHWBXSA-N 2 1 228.380 1.373 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423001009 387806007 /nfs/dbraw/zinc/80/60/07/387806007.db2.gz HHBGGLGPODRGTQ-XQQFMLRXSA-N 2 1 242.407 1.760 20 0 BDADMP CCc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])on1 ZINC000643457218 387807878 /nfs/dbraw/zinc/80/78/78/387807878.db2.gz GXDNERGJYUDZOP-DTWKUNHWSA-N 2 1 211.309 1.452 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422881971 387757460 /nfs/dbraw/zinc/75/74/60/387757460.db2.gz RLKKSGAYLGCPLS-OLZOCXBDSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000643526694 387758608 /nfs/dbraw/zinc/75/86/08/387758608.db2.gz DUSLRZRTLHSAQX-JOYOIKCWSA-N 2 1 220.316 1.706 20 0 BDADMP C[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000643527048 387759534 /nfs/dbraw/zinc/75/95/34/387759534.db2.gz CGFGHOLDIPYJPE-GZBFAFLISA-N 2 1 247.386 1.586 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422888322 387761060 /nfs/dbraw/zinc/76/10/60/387761060.db2.gz MRAHAVHSCPRMSY-MCIONIFRSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422888322 387761067 /nfs/dbraw/zinc/76/10/67/387761067.db2.gz MRAHAVHSCPRMSY-MCIONIFRSA-N 3 1 241.423 1.966 20 0 BDADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422975080 387823817 /nfs/dbraw/zinc/82/38/17/387823817.db2.gz SHROYWZXLZCQRG-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000162304559 387825665 /nfs/dbraw/zinc/82/56/65/387825665.db2.gz JKJUWQZSVRBYSR-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP CCOCCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423008039 387832142 /nfs/dbraw/zinc/83/21/42/387832142.db2.gz ZDZZRUGIUYWQBN-STQMWFEESA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000423008957 387832231 /nfs/dbraw/zinc/83/22/31/387832231.db2.gz UXSBQLFJQUDQTR-NEPJUHHUSA-N 2 1 228.380 1.373 20 0 BDADMP CC[C@H]([NH2+]CCc1ncc(C)cn1)[C@@H]1CCC[NH2+]1 ZINC000423011508 387833365 /nfs/dbraw/zinc/83/33/65/387833365.db2.gz IXZVDGABPMUGMP-STQMWFEESA-N 2 1 248.374 1.448 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423013085 387836294 /nfs/dbraw/zinc/83/62/94/387836294.db2.gz MADSTAHEJRLJEL-YVECIDJPSA-N 2 1 226.364 1.674 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423013075 387836620 /nfs/dbraw/zinc/83/66/20/387836620.db2.gz MADSTAHEJRLJEL-CYDGBPFRSA-N 2 1 226.364 1.674 20 0 BDADMP Cc1cnccc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423016834 387840573 /nfs/dbraw/zinc/84/05/73/387840573.db2.gz URAXSKQYQCLDKO-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000235792556 387858532 /nfs/dbraw/zinc/85/85/32/387858532.db2.gz CBTMZVCGBROSMO-STQMWFEESA-N 2 1 235.331 1.349 20 0 BDADMP C[C@H](C[NH2+][C@H]1CNCC[C@H]1C)C(F)(F)F ZINC000423048688 387858624 /nfs/dbraw/zinc/85/86/24/387858624.db2.gz IIZBDAWAZCHCFL-HLTSFMKQSA-N 2 1 224.270 1.772 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000423052710 387860988 /nfs/dbraw/zinc/86/09/88/387860988.db2.gz RBNAQJGEJXPAKO-AUTRQRHGSA-N 2 1 238.306 1.975 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000423055450 387861863 /nfs/dbraw/zinc/86/18/63/387861863.db2.gz WCZWQZFLVCRKQH-KBPBESRZSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CCO)c1ccco1 ZINC000423055153 387863046 /nfs/dbraw/zinc/86/30/46/387863046.db2.gz VSJDNUVYKQNULO-HBNTYKKESA-N 2 1 226.320 1.419 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423056673 387863621 /nfs/dbraw/zinc/86/36/21/387863621.db2.gz XXZIFNLGSPHXCL-CKOMJFDNSA-N 2 1 212.337 1.044 20 0 BDADMP CC1(C)CC([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000433090360 387864180 /nfs/dbraw/zinc/86/41/80/387864180.db2.gz IIRHWVGBRGRCEG-UHFFFAOYSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H](N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536259 387867419 /nfs/dbraw/zinc/86/74/19/387867419.db2.gz PIHKCBDVOVWVFS-AGIUHOORSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000423063120 387867569 /nfs/dbraw/zinc/86/75/69/387867569.db2.gz VNGLZRGTHRVOBQ-QWRGUYRKSA-N 2 1 213.369 1.186 20 0 BDADMP CC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)[C@@H]1CCC[NH2+]1 ZINC000423063707 387867954 /nfs/dbraw/zinc/86/79/54/387867954.db2.gz PJQHXBXNUQZVBJ-XQQFMLRXSA-N 2 1 248.374 1.318 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536422 387868007 /nfs/dbraw/zinc/86/80/07/387868007.db2.gz QSBOSGMPWDYXEK-FRRDWIJNSA-N 2 1 237.391 1.378 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000442663171 387816400 /nfs/dbraw/zinc/81/64/00/387816400.db2.gz IZGKWEQLWLYUMH-UKRRQHHQSA-N 2 1 247.386 1.934 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000442663171 387816404 /nfs/dbraw/zinc/81/64/04/387816404.db2.gz IZGKWEQLWLYUMH-UKRRQHHQSA-N 2 1 247.386 1.934 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC000648430002 387817715 /nfs/dbraw/zinc/81/77/15/387817715.db2.gz BWAPKXHZBQHZCA-MCIONIFRSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422968406 387819647 /nfs/dbraw/zinc/81/96/47/387819647.db2.gz WTDUYZNFDNKONJ-UONOGXRCSA-N 2 1 241.423 1.694 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422968406 387819654 /nfs/dbraw/zinc/81/96/54/387819654.db2.gz WTDUYZNFDNKONJ-UONOGXRCSA-N 3 1 241.423 1.694 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422968406 387819657 /nfs/dbraw/zinc/81/96/57/387819657.db2.gz WTDUYZNFDNKONJ-UONOGXRCSA-N 3 1 241.423 1.694 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC000194534414 387890758 /nfs/dbraw/zinc/89/07/58/387890758.db2.gz JPVFCYWLVGQSIT-XQQFMLRXSA-N 2 1 222.332 1.173 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1c[nH+]ccc1N ZINC000423110059 387892775 /nfs/dbraw/zinc/89/27/75/387892775.db2.gz OQXFGZBKZOCAKM-VDDIYKPWSA-N 2 1 205.305 1.943 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423111942 387895592 /nfs/dbraw/zinc/89/55/92/387895592.db2.gz RIICFFCSUAFTJV-MNOVXSKESA-N 2 1 237.347 1.409 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423093106 387882324 /nfs/dbraw/zinc/88/23/24/387882324.db2.gz FTZNEKZNZVBJEB-UPJWGTAASA-N 2 1 242.407 1.904 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423116118 387898664 /nfs/dbraw/zinc/89/86/64/387898664.db2.gz ZPJMGJAPMFLHLB-MELADBBJSA-N 2 1 239.407 1.591 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000423103225 387889087 /nfs/dbraw/zinc/88/90/87/387889087.db2.gz FZLRKYXQPCSKBE-KGLIPLIRSA-N 3 1 241.423 1.968 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000423103225 387889089 /nfs/dbraw/zinc/88/90/89/387889089.db2.gz FZLRKYXQPCSKBE-KGLIPLIRSA-N 3 1 241.423 1.968 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000423141909 387918592 /nfs/dbraw/zinc/91/85/92/387918592.db2.gz SJBCBHYYYCUREI-MCIONIFRSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ncccc1N(C)C ZINC000423118978 387900346 /nfs/dbraw/zinc/90/03/46/387900346.db2.gz AWBKSUNQJXEAPJ-MNOVXSKESA-N 2 1 236.363 1.363 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423120413 387901673 /nfs/dbraw/zinc/90/16/73/387901673.db2.gz GLBKPGAOWRIHRY-RWMBFGLXSA-N 2 1 227.396 1.445 20 0 BDADMP N[C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130986 387908334 /nfs/dbraw/zinc/90/83/34/387908334.db2.gz HIZQBVKTZJGBOT-KGLIPLIRSA-N 2 1 239.407 1.722 20 0 BDADMP CC[C@H]([NH2+]CCc1nccnc1C)[C@@H]1CCC[NH2+]1 ZINC000423132409 387908877 /nfs/dbraw/zinc/90/88/77/387908877.db2.gz JERFKVILBQJQSL-JSGCOSHPSA-N 2 1 248.374 1.448 20 0 BDADMP C[C@@H]([NH2+]CCCCF)c1c[nH+]ccc1N ZINC000423137578 387913256 /nfs/dbraw/zinc/91/32/56/387913256.db2.gz IFJBXGRIKSPFSC-SECBINFHSA-N 2 1 211.284 1.894 20 0 BDADMP FCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423139477 387917021 /nfs/dbraw/zinc/91/70/21/387917021.db2.gz KVRZJDLGOWFKTP-UPJWGTAASA-N 2 1 244.354 1.483 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000423152711 387932035 /nfs/dbraw/zinc/93/20/35/387932035.db2.gz MAUZPWYFCVICCJ-VXGBXAGGSA-N 2 1 244.354 1.340 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423156687 387936867 /nfs/dbraw/zinc/93/68/67/387936867.db2.gz TVLKZGQLAZWQKP-GXSJLCMTSA-N 2 1 239.388 1.582 20 0 BDADMP CC[C@H]([NH2+]CCc1cn(C)cn1)[C@@H]1CCC[NH2+]1 ZINC000423169830 387955386 /nfs/dbraw/zinc/95/53/86/387955386.db2.gz WNGQJWXRJSMFFR-STQMWFEESA-N 2 1 236.363 1.083 20 0 BDADMP CCn1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423169044 387955741 /nfs/dbraw/zinc/95/57/41/387955741.db2.gz IRJGVGZAHRQMDE-ZYHUDNBSSA-N 2 1 222.336 1.120 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423158521 387938284 /nfs/dbraw/zinc/93/82/84/387938284.db2.gz CZDDRQDXIRCLKX-YFKTTZPYSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H](CCC[NH3+])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162284 387944493 /nfs/dbraw/zinc/94/44/93/387944493.db2.gz OZKKJEQVSPKXOL-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645802428 387945228 /nfs/dbraw/zinc/94/52/28/387945228.db2.gz MVTPCVHTVDMUBU-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423163526 387945905 /nfs/dbraw/zinc/94/59/05/387945905.db2.gz VSNNVJURVKXQOW-HBNTYKKESA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000423165006 387948642 /nfs/dbraw/zinc/94/86/42/387948642.db2.gz PGWLQGBABBTMDW-LBPRGKRZSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[N@H+]1CCCC1(C)C ZINC000423165006 387948643 /nfs/dbraw/zinc/94/86/43/387948643.db2.gz PGWLQGBABBTMDW-LBPRGKRZSA-N 3 1 227.396 1.578 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000423165912 387950847 /nfs/dbraw/zinc/95/08/47/387950847.db2.gz BSWXXPONSHVZBD-FDYHWXHSSA-N 2 1 238.375 1.674 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cn1 ZINC000423170800 387958033 /nfs/dbraw/zinc/95/80/33/387958033.db2.gz YXJAEAZYHVMVFZ-AAEUAGOBSA-N 2 1 234.347 1.058 20 0 BDADMP CCOCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298324 387958059 /nfs/dbraw/zinc/95/80/59/387958059.db2.gz UKVMRTPIGNINGR-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423172955 387959504 /nfs/dbraw/zinc/95/95/04/387959504.db2.gz WCLFXXPBXNESNO-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423172770 387959929 /nfs/dbraw/zinc/95/99/29/387959929.db2.gz VDZRTHZIZMNYNQ-QCNOEVLYSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1ccc(CC[C@H](C)[NH2+]CC[NH3+])cc1 ZINC000423178200 387964884 /nfs/dbraw/zinc/96/48/84/387964884.db2.gz HZRWBICGZBQUDW-LBPRGKRZSA-N 2 1 206.333 1.864 20 0 BDADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423180551 387965319 /nfs/dbraw/zinc/96/53/19/387965319.db2.gz FFHCGRIORCVVSE-RWMBFGLXSA-N 2 1 226.364 1.533 20 0 BDADMP CCC1(CC)[C@H]([NH2+]CC[NH3+])C[C@@H]1OC ZINC000423180123 387966764 /nfs/dbraw/zinc/96/67/64/387966764.db2.gz IDYJZWWWKHBYSL-ZJUUUORDSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@H]1CCCC[NH2+]1 ZINC000423171010 387957756 /nfs/dbraw/zinc/95/77/56/387957756.db2.gz ZILNMUVDQFXNQX-FVCCEPFGSA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423197308 387981349 /nfs/dbraw/zinc/98/13/49/387981349.db2.gz YWEYOPPWZXXKPK-CHWSQXEVSA-N 2 1 236.363 1.249 20 0 BDADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC[NH3+] ZINC000423188766 387973336 /nfs/dbraw/zinc/97/33/36/387973336.db2.gz QHOPYBXLRGOQMR-CMPLNLGQSA-N 2 1 208.305 1.311 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC12CCC2 ZINC000453105255 387975112 /nfs/dbraw/zinc/97/51/12/387975112.db2.gz WJBMVAXGMHICLL-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424329347 387975463 /nfs/dbraw/zinc/97/54/63/387975463.db2.gz GBQHBKXELXVIOL-LSDHHAIUSA-N 2 1 245.370 1.151 20 0 BDADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CC1 ZINC000423190608 387976799 /nfs/dbraw/zinc/97/67/99/387976799.db2.gz RBZPMBSTEGNZTI-GFCCVEGCSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cccc(C[C@H]([NH2+]CC[NH3+])C2CC2)c1 ZINC000423192015 387977983 /nfs/dbraw/zinc/97/79/83/387977983.db2.gz VAOWYWXTSUYJOQ-AWEZNQCLSA-N 2 1 218.344 1.864 20 0 BDADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423205085 387991141 /nfs/dbraw/zinc/99/11/41/387991141.db2.gz VGBOLNCYDCUUFC-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423205085 387991143 /nfs/dbraw/zinc/99/11/43/387991143.db2.gz VGBOLNCYDCUUFC-XQQFMLRXSA-N 3 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423205085 387991146 /nfs/dbraw/zinc/99/11/46/387991146.db2.gz VGBOLNCYDCUUFC-XQQFMLRXSA-N 3 1 225.380 1.058 20 0 BDADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423205084 387991947 /nfs/dbraw/zinc/99/19/47/387991947.db2.gz VGBOLNCYDCUUFC-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423205084 387991950 /nfs/dbraw/zinc/99/19/50/387991950.db2.gz VGBOLNCYDCUUFC-UPJWGTAASA-N 3 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423205084 387991951 /nfs/dbraw/zinc/99/19/51/387991951.db2.gz VGBOLNCYDCUUFC-UPJWGTAASA-N 3 1 225.380 1.058 20 0 BDADMP OCC[N@@H+](CCC[NH+]1CCCCC1)C1CCC1 ZINC000439300610 387993530 /nfs/dbraw/zinc/99/35/30/387993530.db2.gz ZFCMOGUJEPJGJJ-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251162536 135065318 /nfs/dbraw/zinc/06/53/18/135065318.db2.gz CJWZJWKVFHNYDL-SRVKXCTJSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424376527 387999074 /nfs/dbraw/zinc/99/90/74/387999074.db2.gz PMQUTBZUICFCLG-FTYKPCCVSA-N 2 1 208.349 1.763 20 0 BDADMP C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2)[C@@H]1CCC[NH2+]C1 ZINC000420406562 387999452 /nfs/dbraw/zinc/99/94/52/387999452.db2.gz UPUOGCYILAYHQV-MELADBBJSA-N 2 1 237.391 1.202 20 0 BDADMP C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000420406562 387999455 /nfs/dbraw/zinc/99/94/55/387999455.db2.gz UPUOGCYILAYHQV-MELADBBJSA-N 2 1 237.391 1.202 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000423221688 388001554 /nfs/dbraw/zinc/00/15/54/388001554.db2.gz XQOCZJYYHVVVBH-XDQVBPFNSA-N 2 1 239.407 1.304 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000423221688 388001559 /nfs/dbraw/zinc/00/15/59/388001559.db2.gz XQOCZJYYHVVVBH-XDQVBPFNSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccncc1F ZINC000423223037 388003834 /nfs/dbraw/zinc/00/38/34/388003834.db2.gz DPJXVEFRQIXGKZ-DTWKUNHWSA-N 2 1 211.284 1.609 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423224195 388005813 /nfs/dbraw/zinc/00/58/13/388005813.db2.gz IMQYLFXCKJHBCI-QJPTWQEYSA-N 2 1 224.348 1.143 20 0 BDADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000453203524 388010325 /nfs/dbraw/zinc/01/03/25/388010325.db2.gz VBGIKEZKSKYSEF-ZIAGYGMSSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000453203524 388010328 /nfs/dbraw/zinc/01/03/28/388010328.db2.gz VBGIKEZKSKYSEF-ZIAGYGMSSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)COC)C1 ZINC000309671744 388010920 /nfs/dbraw/zinc/01/09/20/388010920.db2.gz WFZZUAOJLDDSHW-QWHCGFSZSA-N 2 1 228.380 1.590 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423240425 388024916 /nfs/dbraw/zinc/02/49/16/388024916.db2.gz TYMLBLZYFPRATP-GFCCVEGCSA-N 2 1 224.352 1.107 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000253063559 135120518 /nfs/dbraw/zinc/12/05/18/135120518.db2.gz GUAFHDFOOHVJFA-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP CC[N@H+](CC[NH2+][C@H](C)CCOC)C(C)C ZINC000156640930 388012622 /nfs/dbraw/zinc/01/26/22/388012622.db2.gz YBXSHBKZMKOMAG-GFCCVEGCSA-N 2 1 216.369 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H](C)CCOC)C(C)C ZINC000156640930 388012626 /nfs/dbraw/zinc/01/26/26/388012626.db2.gz YBXSHBKZMKOMAG-GFCCVEGCSA-N 2 1 216.369 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229384 388015620 /nfs/dbraw/zinc/01/56/20/388015620.db2.gz BCEGHWRUOSGYHV-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423230021 388015722 /nfs/dbraw/zinc/01/57/22/388015722.db2.gz CNRFNFXHRGIONG-YNEHKIRRSA-N 2 1 240.391 1.920 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423233612 388019484 /nfs/dbraw/zinc/01/94/84/388019484.db2.gz DVEWCZDDYQWVNT-MRVWCRGKSA-N 2 1 233.359 1.226 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252771521 135108384 /nfs/dbraw/zinc/10/83/84/135108384.db2.gz UPMSQWFCCIAHLW-USZNOCQGSA-N 2 1 214.353 1.218 20 0 BDADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423243709 388026140 /nfs/dbraw/zinc/02/61/40/388026140.db2.gz WYUDHAORDJHPCD-QWHCGFSZSA-N 2 1 236.363 1.249 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](C)C1CCSCC1 ZINC000423239372 388022864 /nfs/dbraw/zinc/02/28/64/388022864.db2.gz GFDUEAPAPZTVAA-JTQLQIEISA-N 2 1 216.394 1.717 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000423251315 388034102 /nfs/dbraw/zinc/03/41/02/388034102.db2.gz VXQWKEZSGWYLFX-GFCCVEGCSA-N 2 1 221.348 1.602 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000423253657 388035577 /nfs/dbraw/zinc/03/55/77/388035577.db2.gz ZGUCUVSIMQVVQP-YUELXQCFSA-N 2 1 247.386 1.759 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423270008 388036520 /nfs/dbraw/zinc/03/65/20/388036520.db2.gz WGGOFZRSVMWWCH-WCFLWFBJSA-N 2 1 226.364 1.661 20 0 BDADMP COC[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000446751886 388037880 /nfs/dbraw/zinc/03/78/80/388037880.db2.gz MODNNDPKNCBMIU-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2cscn2)CC1 ZINC000082645666 388039169 /nfs/dbraw/zinc/03/91/69/388039169.db2.gz MWPPUGLRTUXJSJ-UHFFFAOYSA-N 2 1 239.388 1.965 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423264266 388042765 /nfs/dbraw/zinc/04/27/65/388042765.db2.gz PRTNANDUMCWNTP-YRGRVCCFSA-N 2 1 239.407 1.432 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423244980 388028749 /nfs/dbraw/zinc/02/87/49/388028749.db2.gz IGTDZHKWGXYCCX-AAVRWANBSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423244980 388028753 /nfs/dbraw/zinc/02/87/53/388028753.db2.gz IGTDZHKWGXYCCX-AAVRWANBSA-N 2 1 239.407 1.304 20 0 BDADMP CC[C@@H](NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423249986 388031507 /nfs/dbraw/zinc/03/15/07/388031507.db2.gz PSJAAYMBUCKVGE-UPJWGTAASA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1CSCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261527743 135152051 /nfs/dbraw/zinc/15/20/51/135152051.db2.gz GOPGYDPRZAEDMZ-VIFPVBQESA-N 2 1 202.367 1.409 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000423275218 388056679 /nfs/dbraw/zinc/05/66/79/388056679.db2.gz MXMAMTUOJHTFFA-MGPQQGTHSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453362443 388060260 /nfs/dbraw/zinc/06/02/60/388060260.db2.gz RFFNKVPHQKLESH-CRWXNKLISA-N 2 1 240.391 1.467 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423285407 388069896 /nfs/dbraw/zinc/06/98/96/388069896.db2.gz ZMTSQMIMEBELPP-REWJHTLYSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423285407 388069899 /nfs/dbraw/zinc/06/98/99/388069899.db2.gz ZMTSQMIMEBELPP-REWJHTLYSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423285407 388069902 /nfs/dbraw/zinc/06/99/02/388069902.db2.gz ZMTSQMIMEBELPP-REWJHTLYSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398161 388070780 /nfs/dbraw/zinc/07/07/80/388070780.db2.gz KGMQPTSGPNHIGX-OCCSQVGLSA-N 3 1 239.407 1.401 20 0 BDADMP COC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000453402821 388073823 /nfs/dbraw/zinc/07/38/23/388073823.db2.gz NYDKSRVNCKOPEJ-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1CCSC1)C1CC1 ZINC000453409404 388075980 /nfs/dbraw/zinc/07/59/80/388075980.db2.gz UBSBVDVKDVTEOQ-NSHDSACASA-N 2 1 228.405 1.956 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@H]1C ZINC000423296694 388078247 /nfs/dbraw/zinc/07/82/47/388078247.db2.gz HJTOTZPKKOTURJ-HBNTYKKESA-N 2 1 200.326 1.271 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000336659232 388083401 /nfs/dbraw/zinc/08/34/01/388083401.db2.gz IYKDDJLESCUBBV-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453596971 388088828 /nfs/dbraw/zinc/08/88/28/388088828.db2.gz MQIJRNGHCOQXGH-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453596971 388088833 /nfs/dbraw/zinc/08/88/33/388088833.db2.gz MQIJRNGHCOQXGH-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453596971 388088834 /nfs/dbraw/zinc/08/88/34/388088834.db2.gz MQIJRNGHCOQXGH-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP COC1CC([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453600300 388090436 /nfs/dbraw/zinc/09/04/36/388090436.db2.gz SQYOXDJTWFZGFR-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cn1 ZINC000447821484 388095394 /nfs/dbraw/zinc/09/53/94/388095394.db2.gz LSKNEFRLWDYXLT-ZDUSSCGKSA-N 2 1 248.374 1.805 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)cn1 ZINC000447821484 388095396 /nfs/dbraw/zinc/09/53/96/388095396.db2.gz LSKNEFRLWDYXLT-ZDUSSCGKSA-N 2 1 248.374 1.805 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789796 388096291 /nfs/dbraw/zinc/09/62/91/388096291.db2.gz JWXORPAGYHJDLJ-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789796 388096293 /nfs/dbraw/zinc/09/62/93/388096293.db2.gz JWXORPAGYHJDLJ-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250354308 388174634 /nfs/dbraw/zinc/17/46/34/388174634.db2.gz BHQASQCQSITTFV-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000488563663 388186001 /nfs/dbraw/zinc/18/60/01/388186001.db2.gz UICLTXYYFLQEQL-YVECIDJPSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000488563663 388186003 /nfs/dbraw/zinc/18/60/03/388186003.db2.gz UICLTXYYFLQEQL-YVECIDJPSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000488563663 388186004 /nfs/dbraw/zinc/18/60/04/388186004.db2.gz UICLTXYYFLQEQL-YVECIDJPSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000488563663 388186006 /nfs/dbraw/zinc/18/60/06/388186006.db2.gz UICLTXYYFLQEQL-YVECIDJPSA-N 2 1 208.349 1.668 20 0 BDADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCSC1 ZINC000250807218 388186560 /nfs/dbraw/zinc/18/65/60/388186560.db2.gz RSARKQKEBHRUND-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP Cc1nc(NC[C@@H](C)C[NH+](C)C)c(C)c(C)[nH+]1 ZINC000489016400 388201654 /nfs/dbraw/zinc/20/16/54/388201654.db2.gz SGPRSDCGMPXQGH-SECBINFHSA-N 2 1 236.363 1.433 20 0 BDADMP CC/C=C\C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449460693 388210750 /nfs/dbraw/zinc/21/07/50/388210750.db2.gz RQQXVRMHGHCQCZ-PLNGDYQASA-N 2 1 226.364 1.653 20 0 BDADMP CSCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000516580845 388356548 /nfs/dbraw/zinc/35/65/48/388356548.db2.gz UMRHFBBOBFZNHT-UHFFFAOYSA-N 2 1 227.377 1.648 20 0 BDADMP CSCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000516580845 388356549 /nfs/dbraw/zinc/35/65/49/388356549.db2.gz UMRHFBBOBFZNHT-UHFFFAOYSA-N 2 1 227.377 1.648 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccncc2)C1 ZINC000235709239 388374197 /nfs/dbraw/zinc/37/41/97/388374197.db2.gz JVJHGXUDFRTGCI-GFCCVEGCSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccncc2)C1 ZINC000235709239 388374202 /nfs/dbraw/zinc/37/42/02/388374202.db2.gz JVJHGXUDFRTGCI-GFCCVEGCSA-N 2 1 205.305 1.252 20 0 BDADMP C[N@@H+](CCNC(=O)CCC[NH3+])C1CCCCC1 ZINC000237141967 388390968 /nfs/dbraw/zinc/39/09/68/388390968.db2.gz XUYZLINILXUBPM-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000309674172 388460636 /nfs/dbraw/zinc/46/06/36/388460636.db2.gz XEJNGIGRZMELJT-WUHRBBMRSA-N 2 1 226.364 1.220 20 0 BDADMP COCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397350028 388461281 /nfs/dbraw/zinc/46/12/81/388461281.db2.gz ZQSUFYQGTVFYBI-WOPDTQHZSA-N 2 1 214.353 1.328 20 0 BDADMP CCOCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261538727 135176553 /nfs/dbraw/zinc/17/65/53/135176553.db2.gz ZCDDJQRWQUUQBB-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000573075977 388417890 /nfs/dbraw/zinc/41/78/90/388417890.db2.gz SYJMLXRLEKPOTF-TZMCWYRMSA-N 3 1 239.407 1.483 20 0 BDADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000322491558 388435818 /nfs/dbraw/zinc/43/58/18/388435818.db2.gz CFGBNIWWMXILIK-YNEHKIRRSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000352558863 388537537 /nfs/dbraw/zinc/53/75/37/388537537.db2.gz ZWVAIWNRMSQHGB-RDBSUJKOSA-N 2 1 240.391 1.754 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H](C)CO ZINC000339626980 388486308 /nfs/dbraw/zinc/48/63/08/388486308.db2.gz KFDXPKBWRRBGQR-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340490008 388492087 /nfs/dbraw/zinc/49/20/87/388492087.db2.gz TWAAIWXRGDHOLC-BFHYXJOUSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1([NH+](C)C)CC1 ZINC000397802284 388500373 /nfs/dbraw/zinc/50/03/73/388500373.db2.gz CWPXIRJMHNUOLI-JHJVBQTASA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802284 388500374 /nfs/dbraw/zinc/50/03/74/388500374.db2.gz CWPXIRJMHNUOLI-JHJVBQTASA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802284 388500377 /nfs/dbraw/zinc/50/03/77/388500377.db2.gz CWPXIRJMHNUOLI-JHJVBQTASA-N 2 1 239.407 1.399 20 0 BDADMP CN(CCC[NH3+])C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000646782053 388502123 /nfs/dbraw/zinc/50/21/23/388502123.db2.gz BWEQYVBPHOBGEJ-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN1C1CC1 ZINC000344308496 388506000 /nfs/dbraw/zinc/50/60/00/388506000.db2.gz YTPAZAWHDNYXON-OCCSQVGLSA-N 2 1 249.402 1.463 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(N)=O ZINC000516921892 388523590 /nfs/dbraw/zinc/52/35/90/388523590.db2.gz UWUJILIJVSOTAE-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CC[C@H]1CC[C@@H](C)[N@H+]1CCOCC[NH3+] ZINC000136250702 388528233 /nfs/dbraw/zinc/52/82/33/388528233.db2.gz NCTYCWHIQAYBIX-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP Cc1ccc(CCC[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000517030087 388533112 /nfs/dbraw/zinc/53/31/12/388533112.db2.gz NBGAEDUZEIDJEV-OAHLLOKOSA-N 2 1 247.386 1.993 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@H]([NH3+])C2CCC2)n1 ZINC000517029320 388533252 /nfs/dbraw/zinc/53/32/52/388533252.db2.gz HXXMDXWDWNYVLQ-GMSGAONNSA-N 2 1 224.308 1.020 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(O)C1 ZINC000245570701 388590814 /nfs/dbraw/zinc/59/08/14/388590814.db2.gz GOHGRIBFTPUJTC-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](C)(O)C1 ZINC000245570701 388590815 /nfs/dbraw/zinc/59/08/15/388590815.db2.gz GOHGRIBFTPUJTC-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](C)(O)C1 ZINC000245570701 388590816 /nfs/dbraw/zinc/59/08/16/388590816.db2.gz GOHGRIBFTPUJTC-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000379221208 388600162 /nfs/dbraw/zinc/60/01/62/388600162.db2.gz PVBSCTATORFXQW-JSGCOSHPSA-N 2 1 234.343 1.655 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000379267362 388602419 /nfs/dbraw/zinc/60/24/19/388602419.db2.gz SFLDWRXJLBISDE-YPMHNXCESA-N 2 1 237.347 1.739 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCOC1 ZINC000356829149 388551011 /nfs/dbraw/zinc/55/10/11/388551011.db2.gz CWWYFONOVLCLQN-XDQVBPFNSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCOC1 ZINC000356829149 388551014 /nfs/dbraw/zinc/55/10/14/388551014.db2.gz CWWYFONOVLCLQN-XDQVBPFNSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](C[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000357084602 388552652 /nfs/dbraw/zinc/55/26/52/388552652.db2.gz RSZYHPNDOHWUDT-ZDUSSCGKSA-N 2 1 236.359 1.697 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000517712903 388556900 /nfs/dbraw/zinc/55/69/00/388556900.db2.gz QEHOFGURYGXELK-RWMBFGLXSA-N 3 1 225.380 1.106 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000359644404 388557051 /nfs/dbraw/zinc/55/70/51/388557051.db2.gz ZZKJQFTUOHHEOJ-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359644404 388557055 /nfs/dbraw/zinc/55/70/55/388557055.db2.gz ZZKJQFTUOHHEOJ-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359644404 388557057 /nfs/dbraw/zinc/55/70/57/388557057.db2.gz ZZKJQFTUOHHEOJ-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@H]1C ZINC000359644404 388557060 /nfs/dbraw/zinc/55/70/60/388557060.db2.gz ZZKJQFTUOHHEOJ-ZIAGYGMSSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@H]1C ZINC000359644404 388557063 /nfs/dbraw/zinc/55/70/63/388557063.db2.gz ZZKJQFTUOHHEOJ-ZIAGYGMSSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359644404 388557067 /nfs/dbraw/zinc/55/70/67/388557067.db2.gz ZZKJQFTUOHHEOJ-ZIAGYGMSSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359644404 388557068 /nfs/dbraw/zinc/55/70/68/388557068.db2.gz ZZKJQFTUOHHEOJ-ZIAGYGMSSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000137438116 388560870 /nfs/dbraw/zinc/56/08/70/388560870.db2.gz UCEJQZSSGDBJCG-OLZOCXBDSA-N 2 1 248.374 1.346 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367615124 388565519 /nfs/dbraw/zinc/56/55/19/388565519.db2.gz JXQJRZLVWVEMIZ-WUHRBBMRSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367626636 388566628 /nfs/dbraw/zinc/56/66/28/388566628.db2.gz PPIRKHCEDNOUDZ-ZYHUDNBSSA-N 2 1 236.363 1.717 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CCSC1 ZINC000224611431 388666930 /nfs/dbraw/zinc/66/69/30/388666930.db2.gz NVFAWVYUSCDGHA-SRVKXCTJSA-N 2 1 228.405 1.941 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)OC)C1 ZINC000248436950 388680337 /nfs/dbraw/zinc/68/03/37/388680337.db2.gz SHSOXAKXSQBCLE-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)C[N@H+]1C1CC1 ZINC000530179948 388622971 /nfs/dbraw/zinc/62/29/71/388622971.db2.gz ZAEJYUAEVZIECD-MBNYWOFBSA-N 2 1 249.402 1.486 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530224211 388634690 /nfs/dbraw/zinc/63/46/90/388634690.db2.gz VMAYWVMZGQEPOK-HBNTYKKESA-N 2 1 212.337 1.284 20 0 BDADMP Cc1cnccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000530225027 388635717 /nfs/dbraw/zinc/63/57/17/388635717.db2.gz LWUUQDUOGNNVHE-GFCCVEGCSA-N 2 1 221.348 1.853 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000328367362 388641643 /nfs/dbraw/zinc/64/16/43/388641643.db2.gz HMAYRAIJDFCQOE-LLVKDONJSA-N 2 1 212.337 1.238 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000252461813 388652675 /nfs/dbraw/zinc/65/26/75/388652675.db2.gz WWIWXLMLSHFWQS-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000252461813 388652676 /nfs/dbraw/zinc/65/26/76/388652676.db2.gz WWIWXLMLSHFWQS-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246907795 388654956 /nfs/dbraw/zinc/65/49/56/388654956.db2.gz FODIPNPJHKUMQB-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247075111 388658942 /nfs/dbraw/zinc/65/89/42/388658942.db2.gz QJLZJUBUBXQEIY-IHRRRGAJSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247075111 388658944 /nfs/dbraw/zinc/65/89/44/388658944.db2.gz QJLZJUBUBXQEIY-IHRRRGAJSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247075111 388658945 /nfs/dbraw/zinc/65/89/45/388658945.db2.gz QJLZJUBUBXQEIY-IHRRRGAJSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224014178 388660633 /nfs/dbraw/zinc/66/06/33/388660633.db2.gz SSETXHWDDIPUFR-TUAOUCFPSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224014178 388660636 /nfs/dbraw/zinc/66/06/36/388660636.db2.gz SSETXHWDDIPUFR-TUAOUCFPSA-N 2 1 214.353 1.220 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)COC)CC1 ZINC000124333069 388662380 /nfs/dbraw/zinc/66/23/80/388662380.db2.gz LWYIAYSPUCDSRS-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)COC)CC1 ZINC000124333069 388662382 /nfs/dbraw/zinc/66/23/82/388662382.db2.gz LWYIAYSPUCDSRS-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H](CCCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000124508202 388663232 /nfs/dbraw/zinc/66/32/32/388663232.db2.gz VCIKDTHBEXBWCG-NSHDSACASA-N 2 1 226.364 1.364 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H](C)COC ZINC000249964637 388735486 /nfs/dbraw/zinc/73/54/86/388735486.db2.gz WSSMOZHGNCENAX-RYUDHWBXSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)COC ZINC000249964637 388735488 /nfs/dbraw/zinc/73/54/88/388735488.db2.gz WSSMOZHGNCENAX-RYUDHWBXSA-N 2 1 216.369 1.589 20 0 BDADMP C[C@H]1C[C@@H](NCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000128218469 388740830 /nfs/dbraw/zinc/74/08/30/388740830.db2.gz YUVQGINIXMYXRM-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000128283716 388744374 /nfs/dbraw/zinc/74/43/74/388744374.db2.gz QXFSWXYKJWRIFG-HIFRSBDPSA-N 2 1 248.370 1.995 20 0 BDADMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000227799464 388757905 /nfs/dbraw/zinc/75/79/05/388757905.db2.gz LIDZIEVPQYDDPB-GJZGRUSLSA-N 2 1 248.370 1.402 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000552338638 388694389 /nfs/dbraw/zinc/69/43/89/388694389.db2.gz KPAVGTXIXRQNCZ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000552338638 388694392 /nfs/dbraw/zinc/69/43/92/388694392.db2.gz KPAVGTXIXRQNCZ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000126739824 388700358 /nfs/dbraw/zinc/70/03/58/388700358.db2.gz YHPIPTBYEPDXIH-ZDUSSCGKSA-N 2 1 238.375 1.655 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nc1 ZINC000127027304 388711843 /nfs/dbraw/zinc/71/18/43/388711843.db2.gz OHYSKNDMUGDULJ-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)nc1 ZINC000127027304 388711844 /nfs/dbraw/zinc/71/18/44/388711844.db2.gz OHYSKNDMUGDULJ-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC000249489792 388724322 /nfs/dbraw/zinc/72/43/22/388724322.db2.gz VBVHIQYDJUAVFV-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249489792 388724326 /nfs/dbraw/zinc/72/43/26/388724326.db2.gz VBVHIQYDJUAVFV-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249769176 388733430 /nfs/dbraw/zinc/73/34/30/388733430.db2.gz JFGGHWWMLBSGSR-NEPJUHHUSA-N 2 1 214.353 1.152 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCOC1 ZINC000128979414 388808628 /nfs/dbraw/zinc/80/86/28/388808628.db2.gz DEOBRWRSTKWYAF-RWMBFGLXSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252711220 388771677 /nfs/dbraw/zinc/77/16/77/388771677.db2.gz IXEHOWZMMIOBNJ-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252711220 388771680 /nfs/dbraw/zinc/77/16/80/388771680.db2.gz IXEHOWZMMIOBNJ-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000231692847 388841009 /nfs/dbraw/zinc/84/10/09/388841009.db2.gz SWCCVTKYEMONAZ-MEBFFEOJSA-N 2 1 240.391 1.872 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccncc2C)C1 ZINC000129864691 388873334 /nfs/dbraw/zinc/87/33/34/388873334.db2.gz XMRLPTMFMJTEOG-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccncc2C)C1 ZINC000129864691 388873336 /nfs/dbraw/zinc/87/33/36/388873336.db2.gz XMRLPTMFMJTEOG-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP Cn1ccnc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000093939093 388857222 /nfs/dbraw/zinc/85/72/22/388857222.db2.gz QDHYZSPJVPIILK-GFCCVEGCSA-N 2 1 234.347 1.090 20 0 BDADMP CCC[C@H](C)[C@@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000565483656 388948090 /nfs/dbraw/zinc/94/80/90/388948090.db2.gz NCSKSVCPWADLJY-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268879656 389006220 /nfs/dbraw/zinc/00/62/20/389006220.db2.gz RDECVQUMEZJIMG-WDEREUQCSA-N 2 1 225.336 1.595 20 0 BDADMP CSCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571591 136109663 /nfs/dbraw/zinc/10/96/63/136109663.db2.gz MKXMYUDVHFZZHI-NSHDSACASA-N 2 1 214.378 1.377 20 0 BDADMP CSCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335571591 136109664 /nfs/dbraw/zinc/10/96/64/136109664.db2.gz MKXMYUDVHFZZHI-NSHDSACASA-N 2 1 214.378 1.377 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C1CC[NH2+]CC1 ZINC000335624168 533360074 /nfs/dbraw/zinc/36/00/74/533360074.db2.gz MLSUFMPCKYYLPS-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C1CC[NH2+]CC1 ZINC000335624168 533360079 /nfs/dbraw/zinc/36/00/79/533360079.db2.gz MLSUFMPCKYYLPS-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400816340 533513492 /nfs/dbraw/zinc/51/34/92/533513492.db2.gz ZWQHPWPHWUEQSR-YUELXQCFSA-N 2 1 248.370 1.320 20 0 BDADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)C(C)(C)C1 ZINC000335974586 134030965 /nfs/dbraw/zinc/03/09/65/134030965.db2.gz LHWAMVGYSUAMNW-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP CSC1(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000336117789 134089013 /nfs/dbraw/zinc/08/90/13/134089013.db2.gz SZVOSIOZXIVMAJ-GFCCVEGCSA-N 2 1 240.416 1.910 20 0 BDADMP CSC1(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000336117789 134089014 /nfs/dbraw/zinc/08/90/14/134089014.db2.gz SZVOSIOZXIVMAJ-GFCCVEGCSA-N 2 1 240.416 1.910 20 0 BDADMP CSC1(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000336117789 134089015 /nfs/dbraw/zinc/08/90/15/134089015.db2.gz SZVOSIOZXIVMAJ-GFCCVEGCSA-N 2 1 240.416 1.910 20 0 BDADMP C[C@@H](F)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336198510 134127551 /nfs/dbraw/zinc/12/75/51/134127551.db2.gz SDYGZAHZGMHKSA-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@@H](F)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336198510 134127552 /nfs/dbraw/zinc/12/75/52/134127552.db2.gz SDYGZAHZGMHKSA-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000085170856 134224633 /nfs/dbraw/zinc/22/46/33/134224633.db2.gz UMYBKASBBMRDOV-LLVKDONJSA-N 2 1 222.336 1.123 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000085170856 134224634 /nfs/dbraw/zinc/22/46/34/134224634.db2.gz UMYBKASBBMRDOV-LLVKDONJSA-N 2 1 222.336 1.123 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000168511898 134224863 /nfs/dbraw/zinc/22/48/63/134224863.db2.gz CGBNBFZGKPAGSI-PWSUYJOCSA-N 2 1 220.316 1.561 20 0 BDADMP CCC[N@@H+](CC)CCNC1CC[NH+](CC)CC1 ZINC000224417318 134347280 /nfs/dbraw/zinc/34/72/80/134347280.db2.gz YWIMPMRVBGNGOL-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000224572258 134348543 /nfs/dbraw/zinc/34/85/43/134348543.db2.gz LWKQILSUPXENCC-SDDRHHMPSA-N 2 1 228.380 1.730 20 0 BDADMP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](C)CC1 ZINC000226329362 134360343 /nfs/dbraw/zinc/36/03/43/134360343.db2.gz ZKBQRZWSOLJREN-LBPRGKRZSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226828037 134369861 /nfs/dbraw/zinc/36/98/61/134369861.db2.gz USZXTERXEIVMCD-FRRDWIJNSA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226828037 134369862 /nfs/dbraw/zinc/36/98/62/134369862.db2.gz USZXTERXEIVMCD-FRRDWIJNSA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227565386 134383047 /nfs/dbraw/zinc/38/30/47/134383047.db2.gz FTQQWKNBHRXNOX-ZLKJLUDKSA-N 2 1 234.343 1.882 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000050403602 134660080 /nfs/dbraw/zinc/66/00/80/134660080.db2.gz LELKNFUWQFFUAA-GHMZBOCLSA-N 2 1 202.342 1.077 20 0 BDADMP COCC[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133297873 134746074 /nfs/dbraw/zinc/74/60/74/134746074.db2.gz CNELLXXHFDQRMY-NWDGAFQWSA-N 2 1 216.369 1.717 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000070656621 135005527 /nfs/dbraw/zinc/00/55/27/135005527.db2.gz QANLJWLTTJVSAC-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[N@@H+]1C)C2 ZINC000248880399 135025049 /nfs/dbraw/zinc/02/50/49/135025049.db2.gz KPVJYQLYUFYEDH-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248880399 135025050 /nfs/dbraw/zinc/02/50/50/135025050.db2.gz KPVJYQLYUFYEDH-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248880399 135025052 /nfs/dbraw/zinc/02/50/52/135025052.db2.gz KPVJYQLYUFYEDH-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248880399 135025053 /nfs/dbraw/zinc/02/50/53/135025053.db2.gz KPVJYQLYUFYEDH-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248880399 135025055 /nfs/dbraw/zinc/02/50/55/135025055.db2.gz KPVJYQLYUFYEDH-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000251237501 135067472 /nfs/dbraw/zinc/06/74/72/135067472.db2.gz DUOUJZMLKMRSAV-UBHSHLNASA-N 2 1 248.374 1.698 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000251237501 135067473 /nfs/dbraw/zinc/06/74/73/135067473.db2.gz DUOUJZMLKMRSAV-UBHSHLNASA-N 2 1 248.374 1.698 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)O1 ZINC000251919959 135081408 /nfs/dbraw/zinc/08/14/08/135081408.db2.gz UOSWVQVZQOZHBW-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252138037 135084821 /nfs/dbraw/zinc/08/48/21/135084821.db2.gz MTROGMRTUGCPBV-UTUOFQBUSA-N 2 1 213.369 1.009 20 0 BDADMP CCC1CCC([N@@H+](C)CCOCC[NH3+])CC1 ZINC000086435509 135084861 /nfs/dbraw/zinc/08/48/61/135084861.db2.gz KKQXSOCFZKKLRJ-UHFFFAOYSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252191054 135086919 /nfs/dbraw/zinc/08/69/19/135086919.db2.gz UYBNLMMLNRWGKD-JHJVBQTASA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252191054 135086920 /nfs/dbraw/zinc/08/69/20/135086920.db2.gz UYBNLMMLNRWGKD-JHJVBQTASA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252214102 135088170 /nfs/dbraw/zinc/08/81/70/135088170.db2.gz YUMQSZFHNVZGQL-JHJVBQTASA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252647147 135093564 /nfs/dbraw/zinc/09/35/64/135093564.db2.gz TWESCIUDKREBGZ-MJBXVCDLSA-N 2 1 239.407 1.528 20 0 BDADMP C([NH2+]C1CCCC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668091 135095743 /nfs/dbraw/zinc/09/57/43/135095743.db2.gz RNTFEIRJEXSTCI-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP C([NH2+]C1CCCC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668091 135095744 /nfs/dbraw/zinc/09/57/44/135095744.db2.gz RNTFEIRJEXSTCI-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP CCOCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698145 135097864 /nfs/dbraw/zinc/09/78/64/135097864.db2.gz LHTWJDQJAFYMFG-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703213 135098090 /nfs/dbraw/zinc/09/80/90/135098090.db2.gz KQNWNHQFQMWAFK-NDBYEHHHSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703276 135098233 /nfs/dbraw/zinc/09/82/33/135098233.db2.gz PNDZPQWNBJDJML-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CCO)[C@H](C)C1 ZINC000252711203 135099086 /nfs/dbraw/zinc/09/90/86/135099086.db2.gz IVHRTAKALYNPJQ-UPJWGTAASA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCOC1 ZINC000252709511 135099411 /nfs/dbraw/zinc/09/94/11/135099411.db2.gz DBNRQVQADPTEBZ-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252710064 135099851 /nfs/dbraw/zinc/09/98/51/135099851.db2.gz FPEWAMCRTXOYQM-GHMZBOCLSA-N 2 1 214.353 1.341 20 0 BDADMP Cc1cccc(N2CC[C@H]([NH3+])[C@H](C)C2)[nH+]1 ZINC000086887409 135100331 /nfs/dbraw/zinc/10/03/31/135100331.db2.gz RVIKRALGWLUYKM-KOLCDFICSA-N 2 1 205.305 1.564 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252712152 135100423 /nfs/dbraw/zinc/10/04/23/135100423.db2.gz LPMGKFTVJOXSES-FVCCEPFGSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252771521 135108382 /nfs/dbraw/zinc/10/83/82/135108382.db2.gz UPMSQWFCCIAHLW-USZNOCQGSA-N 2 1 214.353 1.218 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252769804 135108513 /nfs/dbraw/zinc/10/85/13/135108513.db2.gz KRSCNJXARALWMJ-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC[NH3+])C1 ZINC000261554513 135109204 /nfs/dbraw/zinc/10/92/04/135109204.db2.gz UIFOQNCPMACZLK-PWSUYJOCSA-N 2 1 214.353 1.112 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252871722 135113802 /nfs/dbraw/zinc/11/38/02/135113802.db2.gz SZDAQJWGADSQOH-IHRRRGAJSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252875785 135114652 /nfs/dbraw/zinc/11/46/52/135114652.db2.gz VUUJMUSKLITTDT-MELADBBJSA-N 2 1 245.370 1.949 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253178954 135122893 /nfs/dbraw/zinc/12/28/93/135122893.db2.gz CMTUOYVOEGGJQA-IJLUTSLNSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253178954 135122895 /nfs/dbraw/zinc/12/28/95/135122895.db2.gz CMTUOYVOEGGJQA-IJLUTSLNSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CS1 ZINC000253277891 135125720 /nfs/dbraw/zinc/12/57/20/135125720.db2.gz JKQMRZSZGKZMHN-WYUUTHIRSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CS1 ZINC000253277891 135125721 /nfs/dbraw/zinc/12/57/21/135125721.db2.gz JKQMRZSZGKZMHN-WYUUTHIRSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCC1CCOCC1 ZINC000258787538 135133796 /nfs/dbraw/zinc/13/37/96/135133796.db2.gz PSWXKBJSIFHQOZ-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000258811937 135134826 /nfs/dbraw/zinc/13/48/26/135134826.db2.gz CPAAMCHTHUNDIQ-OLZOCXBDSA-N 2 1 204.317 1.964 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257673717 135138225 /nfs/dbraw/zinc/13/82/25/135138225.db2.gz JEOCGPBGTNUWTB-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257673712 135138463 /nfs/dbraw/zinc/13/84/63/135138463.db2.gz JEOCGPBGTNUWTB-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)on1 ZINC000257662082 135138642 /nfs/dbraw/zinc/13/86/42/135138642.db2.gz GNPXRKRFKGBJNE-UHFFFAOYSA-N 2 1 235.331 1.559 20 0 BDADMP Cc1nc(NCC(C)(C)[NH3+])c(C)c(C)[nH+]1 ZINC000257667196 135138665 /nfs/dbraw/zinc/13/86/65/135138665.db2.gz ZXAHLONWKCKRQK-UHFFFAOYSA-N 2 1 208.309 1.551 20 0 BDADMP c1cncc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257700203 135139838 /nfs/dbraw/zinc/13/98/38/135139838.db2.gz PXFPNPCJQDOMBX-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP c1cncc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257700203 135139840 /nfs/dbraw/zinc/13/98/40/135139840.db2.gz PXFPNPCJQDOMBX-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP c1cncc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257724706 135141110 /nfs/dbraw/zinc/14/11/10/135141110.db2.gz WGOWFTAFGNBNON-OAHLLOKOSA-N 2 1 245.370 1.700 20 0 BDADMP C[C@@H](O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000257768410 135141882 /nfs/dbraw/zinc/14/18/82/135141882.db2.gz FLGYOOHUTFYXFX-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CC[C@H](C)O)CC1 ZINC000257776796 135142053 /nfs/dbraw/zinc/14/20/53/135142053.db2.gz YUFQRLSRQWSDKS-NSHDSACASA-N 2 1 214.353 1.220 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCOCC(F)(F)F ZINC000087472567 135143052 /nfs/dbraw/zinc/14/30/52/135143052.db2.gz YCJYFNQGPGEFHZ-UHFFFAOYSA-N 2 1 242.285 1.497 20 0 BDADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000087472296 135143666 /nfs/dbraw/zinc/14/36/66/135143666.db2.gz HZDXKSXQHVFNMI-LLVKDONJSA-N 2 1 222.332 1.995 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000087472296 135143667 /nfs/dbraw/zinc/14/36/67/135143667.db2.gz HZDXKSXQHVFNMI-LLVKDONJSA-N 2 1 222.332 1.995 20 0 BDADMP C[C@H]1C[C@@H](N(C)Cc2ccno2)CC[N@H+]1C ZINC000266002181 135146646 /nfs/dbraw/zinc/14/66/46/135146646.db2.gz OETLCHDAYJEYOU-QWRGUYRKSA-N 2 1 223.320 1.589 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]12 ZINC000261529565 135155464 /nfs/dbraw/zinc/15/54/64/135155464.db2.gz BBGPTALPLNSOEG-ADEWGFFLSA-N 2 1 222.357 1.917 20 0 BDADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000261531403 135160129 /nfs/dbraw/zinc/16/01/29/135160129.db2.gz GIVTVEFUPVMFFI-BETUJISGSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@H]1C[N@H+](CCc2ccccc2)C[C@H]1[NH3+] ZINC000261531790 135160821 /nfs/dbraw/zinc/16/08/21/135160821.db2.gz HVXGSRUBYZUWET-WCQYABFASA-N 2 1 204.317 1.508 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccccc2)C[C@H]1[NH3+] ZINC000261531790 135160823 /nfs/dbraw/zinc/16/08/23/135160823.db2.gz HVXGSRUBYZUWET-WCQYABFASA-N 2 1 204.317 1.508 20 0 BDADMP COc1ccccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000087653309 135160898 /nfs/dbraw/zinc/16/08/98/135160898.db2.gz NTFCPYIGDONWRX-UHFFFAOYSA-N 2 1 220.316 1.617 20 0 BDADMP COc1ccccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000087653309 135160900 /nfs/dbraw/zinc/16/09/00/135160900.db2.gz NTFCPYIGDONWRX-UHFFFAOYSA-N 2 1 220.316 1.617 20 0 BDADMP C[N@H+](Cc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000087653236 135161234 /nfs/dbraw/zinc/16/12/34/135161234.db2.gz PPQZPYNUUZHYHD-UHFFFAOYSA-N 2 1 208.280 1.747 20 0 BDADMP C[N@@H+](Cc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000087653236 135161236 /nfs/dbraw/zinc/16/12/36/135161236.db2.gz PPQZPYNUUZHYHD-UHFFFAOYSA-N 2 1 208.280 1.747 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261532165 135162802 /nfs/dbraw/zinc/16/28/02/135162802.db2.gz JLSYJFHIBGTAGB-QWHCGFSZSA-N 2 1 208.349 1.718 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261533650 135165224 /nfs/dbraw/zinc/16/52/24/135165224.db2.gz JCWFGZBISMHGNK-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)OC[C@H]2C)CC[NH2+]1 ZINC000261535033 135168860 /nfs/dbraw/zinc/16/88/60/135168860.db2.gz VZHXFYDLZVSCJQ-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C[C@H]1C[NH3+] ZINC000261535777 135170832 /nfs/dbraw/zinc/17/08/32/135170832.db2.gz PDHGBUKNOZAVBG-GRYCIOLGSA-N 2 1 228.405 1.656 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000261535822 135170949 /nfs/dbraw/zinc/17/09/49/135170949.db2.gz PHZHYRZJNBMEFY-KWBADKCTSA-N 2 1 204.317 1.999 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCSC[C@H]2C)CC[NH2+]1 ZINC000261536833 135172926 /nfs/dbraw/zinc/17/29/26/135172926.db2.gz TWUNLLMMFUVFAB-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261537851 135175110 /nfs/dbraw/zinc/17/51/10/135175110.db2.gz WLOKXUNHFYPQAR-QJPTWQEYSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000261540665 135179901 /nfs/dbraw/zinc/17/99/01/135179901.db2.gz GZPYEVHOCPTPKL-MGPQQGTHSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc1 ZINC000261544297 135185304 /nfs/dbraw/zinc/18/53/04/135185304.db2.gz DQJQKBUVSNTOIJ-FPMFFAJLSA-N 2 1 231.343 1.559 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000261549708 135188149 /nfs/dbraw/zinc/18/81/49/135188149.db2.gz PBUYGMYNDIEHLE-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2scnc2C)C1 ZINC000084149505 135188482 /nfs/dbraw/zinc/18/84/82/135188482.db2.gz AOZDYWZATKFCOW-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2scnc2C)C1 ZINC000084149505 135188483 /nfs/dbraw/zinc/18/84/83/135188483.db2.gz AOZDYWZATKFCOW-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000261549707 135188683 /nfs/dbraw/zinc/18/86/83/135188683.db2.gz PBUYGMYNDIEHLE-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(F)c(F)c1 ZINC000261554233 135193484 /nfs/dbraw/zinc/19/34/84/135193484.db2.gz ORCSGJYPCJTVFH-UHFFFAOYSA-N 2 1 244.285 1.372 20 0 BDADMP c1cncc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261556855 135196741 /nfs/dbraw/zinc/19/67/41/135196741.db2.gz REOMWZLOGHTPQI-UONOGXRCSA-N 2 1 231.343 1.308 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261556855 135196743 /nfs/dbraw/zinc/19/67/43/135196743.db2.gz REOMWZLOGHTPQI-UONOGXRCSA-N 2 1 231.343 1.308 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557185 135197773 /nfs/dbraw/zinc/19/77/73/135197773.db2.gz RMKGOUANGOQELV-OLZOCXBDSA-N 2 1 232.327 1.434 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557185 135197775 /nfs/dbraw/zinc/19/77/75/135197775.db2.gz RMKGOUANGOQELV-OLZOCXBDSA-N 2 1 232.327 1.434 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261560165 135200854 /nfs/dbraw/zinc/20/08/54/135200854.db2.gz UGYPXYMGCCGBDF-BFHYXJOUSA-N 2 1 231.343 1.559 20 0 BDADMP Cc1ncccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261561432 135202418 /nfs/dbraw/zinc/20/24/18/135202418.db2.gz VLGRFMLBHPUJSX-WCQYABFASA-N 2 1 233.359 1.949 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261561578 135202475 /nfs/dbraw/zinc/20/24/75/135202475.db2.gz FZCDKXOMDNCTNG-KBPBESRZSA-N 2 1 246.354 1.737 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261561578 135202476 /nfs/dbraw/zinc/20/24/76/135202476.db2.gz FZCDKXOMDNCTNG-KBPBESRZSA-N 2 1 246.354 1.737 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261562425 135204006 /nfs/dbraw/zinc/20/40/06/135204006.db2.gz BGVZUBQEFSETFD-WDEREUQCSA-N 2 1 237.372 1.493 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261562425 135204008 /nfs/dbraw/zinc/20/40/08/135204008.db2.gz BGVZUBQEFSETFD-WDEREUQCSA-N 2 1 237.372 1.493 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCCO1 ZINC000261562801 135204747 /nfs/dbraw/zinc/20/47/47/135204747.db2.gz BOWNCNBGGOLREF-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCCO1 ZINC000261562801 135204748 /nfs/dbraw/zinc/20/47/48/135204748.db2.gz BOWNCNBGGOLREF-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCCO1 ZINC000261562800 135204751 /nfs/dbraw/zinc/20/47/51/135204751.db2.gz BOWNCNBGGOLREF-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCCO1 ZINC000261562800 135204752 /nfs/dbraw/zinc/20/47/52/135204752.db2.gz BOWNCNBGGOLREF-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc(C)[nH+]1 ZINC000261564622 135206957 /nfs/dbraw/zinc/20/69/57/135206957.db2.gz XTVYCSGQBVBVRA-TUAOUCFPSA-N 2 1 232.331 1.267 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261565616 135207432 /nfs/dbraw/zinc/20/74/32/135207432.db2.gz DBXHXLKFEAPBPD-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261565616 135207433 /nfs/dbraw/zinc/20/74/33/135207433.db2.gz DBXHXLKFEAPBPD-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261568146 135210236 /nfs/dbraw/zinc/21/02/36/135210236.db2.gz FJQNHRQEUDVLNS-KOLCDFICSA-N 2 1 237.734 1.923 20 0 BDADMP C[C@H]1CC[N@@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000163921371 135210633 /nfs/dbraw/zinc/21/06/33/135210633.db2.gz NNVRMDKQDSEFFF-JSGCOSHPSA-N 2 1 233.359 1.541 20 0 BDADMP Cc1ccccc1C[NH2+]CC1([NH3+])CCC1 ZINC000261568871 135211554 /nfs/dbraw/zinc/21/15/54/135211554.db2.gz FWSCKBGHTRZYCY-UHFFFAOYSA-N 2 1 204.317 1.966 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261575405 135216396 /nfs/dbraw/zinc/21/63/96/135216396.db2.gz JQUFUUMPEVVNJQ-TUAOUCFPSA-N 2 1 217.316 1.564 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261579700 135220508 /nfs/dbraw/zinc/22/05/08/135220508.db2.gz PQOGSUVXDXWWLJ-IACUBPJLSA-N 2 1 248.374 1.206 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC000261579615 135220991 /nfs/dbraw/zinc/22/09/91/135220991.db2.gz MKGXGBICJXZZQD-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000261579615 135220992 /nfs/dbraw/zinc/22/09/92/135220992.db2.gz MKGXGBICJXZZQD-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)s1 ZINC000261580657 135221907 /nfs/dbraw/zinc/22/19/07/135221907.db2.gz NBHGJOSOPNOTOP-NSHDSACASA-N 2 1 239.388 1.929 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261583291 135223993 /nfs/dbraw/zinc/22/39/93/135223993.db2.gz OXFORJXZPVBTDS-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000261585503 135227097 /nfs/dbraw/zinc/22/70/97/135227097.db2.gz QMOCIELQQQDHRM-ZMLRMANQSA-N 2 1 237.372 1.621 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261587394 135228128 /nfs/dbraw/zinc/22/81/28/135228128.db2.gz UZVBSVJFEJNJJT-ZIAGYGMSSA-N 2 1 246.354 1.607 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261587927 135228728 /nfs/dbraw/zinc/22/87/28/135228728.db2.gz RYUNGSWYDMZDAM-CMPLNLGQSA-N 2 1 219.332 1.559 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000261589401 135230145 /nfs/dbraw/zinc/23/01/45/135230145.db2.gz TXSJBVKHDCIDHU-VXGBXAGGSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CSCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261547012 135239684 /nfs/dbraw/zinc/23/96/84/135239684.db2.gz LOERQXDSPGWNMX-RYUDHWBXSA-N 2 1 228.405 1.671 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261628491 135241468 /nfs/dbraw/zinc/24/14/68/135241468.db2.gz DJSYHWMPLNAKKS-FZMZJTMJSA-N 2 1 233.359 1.971 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC000261628491 135241469 /nfs/dbraw/zinc/24/14/69/135241469.db2.gz DJSYHWMPLNAKKS-FZMZJTMJSA-N 2 1 233.359 1.971 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000261645519 135242843 /nfs/dbraw/zinc/24/28/43/135242843.db2.gz XNEHSGACFPHNBZ-GHMZBOCLSA-N 2 1 237.347 1.762 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000261724169 135248125 /nfs/dbraw/zinc/24/81/25/135248125.db2.gz GJYRKBMILXCMFN-LBPRGKRZSA-N 2 1 238.379 1.046 20 0 BDADMP CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000261755118 135249782 /nfs/dbraw/zinc/24/97/82/135249782.db2.gz MBVLFAGKAMBEAU-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000261755118 135249783 /nfs/dbraw/zinc/24/97/83/135249783.db2.gz MBVLFAGKAMBEAU-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)OC)C1 ZINC000261807387 135254132 /nfs/dbraw/zinc/25/41/32/135254132.db2.gz HIUMKVSZRQCNDO-NSHDSACASA-N 2 1 242.363 1.117 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000261833902 135256309 /nfs/dbraw/zinc/25/63/09/135256309.db2.gz QECVFBVTQACUHI-AWEZNQCLSA-N 2 1 248.326 1.586 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000261833902 135256310 /nfs/dbraw/zinc/25/63/10/135256310.db2.gz QECVFBVTQACUHI-AWEZNQCLSA-N 2 1 248.326 1.586 20 0 BDADMP CCC[N@H+](C)Cc1nc(C[C@H](C)[NH2+]C)no1 ZINC000261824490 135256373 /nfs/dbraw/zinc/25/63/73/135256373.db2.gz QULKOZFFGCRNKX-VIFPVBQESA-N 2 1 226.324 1.062 20 0 BDADMP CCC[N@@H+](C)Cc1nc(C[C@H](C)[NH2+]C)no1 ZINC000261824490 135256374 /nfs/dbraw/zinc/25/63/74/135256374.db2.gz QULKOZFFGCRNKX-VIFPVBQESA-N 2 1 226.324 1.062 20 0 BDADMP CC(C)[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261847237 135256917 /nfs/dbraw/zinc/25/69/17/135256917.db2.gz VAQOKJQZBFLGJN-QWHCGFSZSA-N 2 1 204.317 1.822 20 0 BDADMP CC(C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261847237 135256918 /nfs/dbraw/zinc/25/69/18/135256918.db2.gz VAQOKJQZBFLGJN-QWHCGFSZSA-N 2 1 204.317 1.822 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261924072 135263415 /nfs/dbraw/zinc/26/34/15/135263415.db2.gz KUTPJNPWLQDBKU-XQQFMLRXSA-N 2 1 240.391 1.718 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261922857 135263612 /nfs/dbraw/zinc/26/36/12/135263612.db2.gz KRECXHWALBYCLY-GHMZBOCLSA-N 2 1 242.363 1.245 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261924074 135263781 /nfs/dbraw/zinc/26/37/81/135263781.db2.gz KUTPJNPWLQDBKU-YNEHKIRRSA-N 2 1 240.391 1.718 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000261986695 135269410 /nfs/dbraw/zinc/26/94/10/135269410.db2.gz RXWFKULFGDYVOU-YPMHNXCESA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000261986695 135269411 /nfs/dbraw/zinc/26/94/11/135269411.db2.gz RXWFKULFGDYVOU-YPMHNXCESA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C2CC2)O1 ZINC000262054006 135277031 /nfs/dbraw/zinc/27/70/31/135277031.db2.gz ZXAQCQYWNLQBNU-BXUZGUMPSA-N 2 1 238.375 1.485 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262092220 135278809 /nfs/dbraw/zinc/27/88/09/135278809.db2.gz UXBVZFUHSMLAQZ-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262185000 135284964 /nfs/dbraw/zinc/28/49/64/135284964.db2.gz JCXPDCMXBCMVKH-UHFFFAOYSA-N 3 1 237.391 1.062 20 0 BDADMP CC(C)c1nccc(NCC2=CC[N@@H+](C)CC2)n1 ZINC000342777747 135327398 /nfs/dbraw/zinc/32/73/98/135327398.db2.gz BCHDEIUXVGKCGA-UHFFFAOYSA-N 2 1 246.358 1.696 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000334273612 135331765 /nfs/dbraw/zinc/33/17/65/135331765.db2.gz ZLYIJKYPZWQELE-JSGCOSHPSA-N 2 1 248.374 1.553 20 0 BDADMP CO[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)CC[C@H]1C ZINC000299919807 135382102 /nfs/dbraw/zinc/38/21/02/135382102.db2.gz XEHDDTCYRCLPHF-FRRDWIJNSA-N 2 1 228.380 1.717 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)CC[C@H]1C ZINC000299919807 135382104 /nfs/dbraw/zinc/38/21/04/135382104.db2.gz XEHDDTCYRCLPHF-FRRDWIJNSA-N 2 1 228.380 1.717 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCCC1(C)C ZINC000334837409 135819151 /nfs/dbraw/zinc/81/91/51/135819151.db2.gz LTASGZWTWDRXDO-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)F ZINC000348156667 136040948 /nfs/dbraw/zinc/04/09/48/136040948.db2.gz ITHHUOWOUMUFOI-MVCUBJFGSA-N 2 1 232.318 1.958 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C(C)C)[C@@H](C)C1 ZINC000348270739 136058533 /nfs/dbraw/zinc/05/85/33/136058533.db2.gz HTOZOMDPEONFDZ-MJBXVCDLSA-N 2 1 242.407 1.571 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2C(F)F)CC1 ZINC000348298561 136063477 /nfs/dbraw/zinc/06/34/77/136063477.db2.gz DDJVUKVIMUZPIP-WDEREUQCSA-N 2 1 248.317 1.340 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000348298560 136063542 /nfs/dbraw/zinc/06/35/42/136063542.db2.gz DDJVUKVIMUZPIP-QWRGUYRKSA-N 2 1 248.317 1.340 20 0 BDADMP Nc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335394229 136091620 /nfs/dbraw/zinc/09/16/20/136091620.db2.gz FICXVRNQWAYHBP-UHFFFAOYSA-N 2 1 231.343 1.597 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335400320 136094178 /nfs/dbraw/zinc/09/41/78/136094178.db2.gz CTXDQASMABGALJ-CQSZACIVSA-N 2 1 237.391 1.062 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC[NH2+]C1 ZINC000647514049 397771925 /nfs/dbraw/zinc/77/19/25/397771925.db2.gz DHNLECZQGVWBJP-OCCSQVGLSA-N 2 1 248.374 1.589 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649548348 397939799 /nfs/dbraw/zinc/93/97/99/397939799.db2.gz UWWMPPOECQTEQN-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+](C)C[C@@H]1CCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649548348 397939802 /nfs/dbraw/zinc/93/98/02/397939802.db2.gz UWWMPPOECQTEQN-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+](C)C[C@@H]1CCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649548348 397939808 /nfs/dbraw/zinc/93/98/08/397939808.db2.gz UWWMPPOECQTEQN-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cocn1 ZINC000192323845 397893724 /nfs/dbraw/zinc/89/37/24/397893724.db2.gz ARQUPGVKNZVLFU-LBPRGKRZSA-N 2 1 241.335 1.121 20 0 BDADMP CC[C@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000649618728 398003709 /nfs/dbraw/zinc/00/37/09/398003709.db2.gz LUAGAXHZLFMWQG-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[C@H]1C[NH+](C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649618728 398003714 /nfs/dbraw/zinc/00/37/14/398003714.db2.gz LUAGAXHZLFMWQG-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[C@H]1C[NH+](C)CCN1C[C@H]1CCC[N@H+]1C ZINC000649618728 398003716 /nfs/dbraw/zinc/00/37/16/398003716.db2.gz LUAGAXHZLFMWQG-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000383194383 398009631 /nfs/dbraw/zinc/00/96/31/398009631.db2.gz SRHLGPWKPZOEAP-DGAVXFQQSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1CCCOC1 ZINC000389124860 398029221 /nfs/dbraw/zinc/02/92/21/398029221.db2.gz VTJGTMNIZPWISV-XQQFMLRXSA-N 2 1 226.364 1.533 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000382764335 397972473 /nfs/dbraw/zinc/97/24/73/397972473.db2.gz SHVOXUGOPMZQPF-ZWNOBZJWSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000382764335 397972477 /nfs/dbraw/zinc/97/24/77/397972477.db2.gz SHVOXUGOPMZQPF-ZWNOBZJWSA-N 2 1 238.331 1.595 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C)cn1 ZINC000414829424 398050729 /nfs/dbraw/zinc/05/07/29/398050729.db2.gz AUCRWPNUYADERJ-NSHDSACASA-N 2 1 207.321 1.335 20 0 BDADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000062013618 398110486 /nfs/dbraw/zinc/11/04/86/398110486.db2.gz AUGOLHCDEJQADW-BXKDBHETSA-N 2 1 242.750 1.652 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414969927 398132125 /nfs/dbraw/zinc/13/21/25/398132125.db2.gz FTSIBVMUCAHKLM-IHRRRGAJSA-N 2 1 241.423 1.694 20 0 BDADMP CC(C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928407 167035788 /nfs/dbraw/zinc/03/57/88/167035788.db2.gz UBACTOHFIHUTLQ-XQQFMLRXSA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928407 167035789 /nfs/dbraw/zinc/03/57/89/167035789.db2.gz UBACTOHFIHUTLQ-XQQFMLRXSA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928407 167035793 /nfs/dbraw/zinc/03/57/93/167035793.db2.gz UBACTOHFIHUTLQ-XQQFMLRXSA-N 2 1 208.349 1.811 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+]CC1CCCCC1 ZINC000259006539 322881086 /nfs/dbraw/zinc/88/10/86/322881086.db2.gz XAQDUSZAJRNZTD-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP C([NH2+][C@H]1CCCOCC1)[C@H]1CCCC[NH2+]1 ZINC000308866154 487571268 /nfs/dbraw/zinc/57/12/68/487571268.db2.gz XARUIWNZJSZGMK-NWDGAFQWSA-N 2 1 212.337 1.287 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043325092 167223775 /nfs/dbraw/zinc/22/37/75/167223775.db2.gz JJVJWTCAMAUJMC-LLVKDONJSA-N 2 1 200.326 1.143 20 0 BDADMP CC[N@@H+](CCc1cncn1C)C[C@H](C)OC ZINC000297659042 487603497 /nfs/dbraw/zinc/60/34/97/487603497.db2.gz NRJUCPYBAJWPKK-NSHDSACASA-N 2 1 225.336 1.319 20 0 BDADMP CCc1nocc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000662264772 409559091 /nfs/dbraw/zinc/55/90/91/409559091.db2.gz LJNSIGFGKFOBQT-ZJUUUORDSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000662264772 409559098 /nfs/dbraw/zinc/55/90/98/409559098.db2.gz LJNSIGFGKFOBQT-ZJUUUORDSA-N 2 1 223.320 1.406 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(CCO)CCCC1 ZINC000660682938 409541581 /nfs/dbraw/zinc/54/15/81/409541581.db2.gz XGGXFIXRLPCEBN-ZDUSSCGKSA-N 2 1 240.391 1.756 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(CCO)CCCC1 ZINC000660682936 409541957 /nfs/dbraw/zinc/54/19/57/409541957.db2.gz XGGXFIXRLPCEBN-CYBMUJFWSA-N 2 1 240.391 1.756 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253733 409553322 /nfs/dbraw/zinc/55/33/22/409553322.db2.gz CAMVOEVSNSBECC-FRRDWIJNSA-N 2 1 238.375 1.628 20 0 BDADMP CCC1(CC)CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000662308600 409632913 /nfs/dbraw/zinc/63/29/13/409632913.db2.gz BTJHVCGSXTVLLI-ZDUSSCGKSA-N 2 1 242.407 1.859 20 0 BDADMP C[N@H+](CC1=CCSC1)C[C@@H]1CCC[NH2+]C1 ZINC000662326780 409642674 /nfs/dbraw/zinc/64/26/74/409642674.db2.gz BWIBNYZWUWUVTF-LLVKDONJSA-N 2 1 226.389 1.591 20 0 BDADMP CC(C)SCC[NH2+]C1CC[NH+](C)CC1 ZINC000308555130 167329951 /nfs/dbraw/zinc/32/99/51/167329951.db2.gz RTOJHRILWBCWEZ-UHFFFAOYSA-N 2 1 216.394 1.812 20 0 BDADMP CC(C)c1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000662277228 409594262 /nfs/dbraw/zinc/59/42/62/409594262.db2.gz NLCYEEDVBYQMJY-AWEZNQCLSA-N 2 1 236.359 1.561 20 0 BDADMP CC(C)c1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000662277230 409594664 /nfs/dbraw/zinc/59/46/64/409594664.db2.gz NLCYEEDVBYQMJY-CQSZACIVSA-N 2 1 236.359 1.561 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000662282869 409606322 /nfs/dbraw/zinc/60/63/22/409606322.db2.gz YHLQRPNNULRCEH-YVECIDJPSA-N 2 1 224.348 1.082 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1(C)COC1 ZINC000651975877 409968265 /nfs/dbraw/zinc/96/82/65/409968265.db2.gz QDVZSTGLOOUVNC-UHFFFAOYSA-N 2 1 228.380 1.590 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000156566393 410331011 /nfs/dbraw/zinc/33/10/11/410331011.db2.gz UAIXQRHKPYCGPB-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000156566393 410331018 /nfs/dbraw/zinc/33/10/18/410331018.db2.gz UAIXQRHKPYCGPB-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000156566393 410331023 /nfs/dbraw/zinc/33/10/23/410331023.db2.gz UAIXQRHKPYCGPB-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CCN1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000156566393 410331030 /nfs/dbraw/zinc/33/10/30/410331030.db2.gz UAIXQRHKPYCGPB-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CCN1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000156566393 410331033 /nfs/dbraw/zinc/33/10/33/410331033.db2.gz UAIXQRHKPYCGPB-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@H]1[NH3+] ZINC000650703012 410332771 /nfs/dbraw/zinc/33/27/71/410332771.db2.gz FBJLDLYNJQASJK-IAQYHMDHSA-N 2 1 230.355 1.954 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@H]1[NH3+] ZINC000650703012 410332775 /nfs/dbraw/zinc/33/27/75/410332775.db2.gz FBJLDLYNJQASJK-IAQYHMDHSA-N 2 1 230.355 1.954 20 0 BDADMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000650709150 410339295 /nfs/dbraw/zinc/33/92/95/410339295.db2.gz GEINJSJDSHQNFE-JSGCOSHPSA-N 2 1 246.358 1.055 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC[NH2+]C1 ZINC000650709721 410340513 /nfs/dbraw/zinc/34/05/13/410340513.db2.gz NVMDTCJVAXSAEX-IHRRRGAJSA-N 3 1 237.391 1.047 20 0 BDADMP C[C@]1(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC[NH2+]C1 ZINC000650709721 410340520 /nfs/dbraw/zinc/34/05/20/410340520.db2.gz NVMDTCJVAXSAEX-IHRRRGAJSA-N 2 1 237.391 1.047 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000650712145 410342177 /nfs/dbraw/zinc/34/21/77/410342177.db2.gz SJDCVVJKDZBZGI-OCCSQVGLSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1noc(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531203 410636680 /nfs/dbraw/zinc/63/66/80/410636680.db2.gz GXKPQVGRSMOTHP-UHFFFAOYSA-N 2 1 223.320 1.605 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)[C@H]1CCC[NH2+]1 ZINC000665271724 410741202 /nfs/dbraw/zinc/74/12/02/410741202.db2.gz RDPZPEVHPZQCRH-VCTAVGKDSA-N 2 1 245.370 1.986 20 0 BDADMP CCC[NH+](CCC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309295637 410745086 /nfs/dbraw/zinc/74/50/86/410745086.db2.gz WWTYIALAYKUNIE-ZDUSSCGKSA-N 2 1 230.396 1.810 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000393760415 410760293 /nfs/dbraw/zinc/76/02/93/410760293.db2.gz KVXFDTACKKDBGB-VXGBXAGGSA-N 2 1 222.336 1.011 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000665282919 410764269 /nfs/dbraw/zinc/76/42/69/410764269.db2.gz DWSHDBIXRVHROF-YNEHKIRRSA-N 3 1 227.396 1.467 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000665297721 410816455 /nfs/dbraw/zinc/81/64/55/410816455.db2.gz KHYIQMVBUMPQGU-QJPTWQEYSA-N 2 1 214.353 1.389 20 0 BDADMP COCc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000394595497 410807438 /nfs/dbraw/zinc/80/74/38/410807438.db2.gz KAERYZPNPNOXTB-MNOVXSKESA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000394595497 410807447 /nfs/dbraw/zinc/80/74/47/410807447.db2.gz KAERYZPNPNOXTB-MNOVXSKESA-N 2 1 238.331 1.595 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](COC)C1CCCC1 ZINC000665298583 410832591 /nfs/dbraw/zinc/83/25/91/410832591.db2.gz YMQZGIUNQKEKJF-ZYHUDNBSSA-N 2 1 214.353 1.389 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250581198 167231711 /nfs/dbraw/zinc/23/17/11/167231711.db2.gz IVRGDSBDPPXOST-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCCCO ZINC000398505160 410970934 /nfs/dbraw/zinc/97/09/34/410970934.db2.gz BFAAQZROBZZPQV-VXGBXAGGSA-N 2 1 216.369 1.645 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000042424615 411003467 /nfs/dbraw/zinc/00/34/67/411003467.db2.gz MFRXAGZFLXCETM-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP CCO[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000042425559 411005638 /nfs/dbraw/zinc/00/56/38/411005638.db2.gz NWISSPOWZRFQTP-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000042425559 411005642 /nfs/dbraw/zinc/00/56/42/411005642.db2.gz NWISSPOWZRFQTP-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000300136692 411078286 /nfs/dbraw/zinc/07/82/86/411078286.db2.gz RLGWJVDBYMKCFX-MGPQQGTHSA-N 2 1 237.391 1.345 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H](O)C1CC1 ZINC000683140596 487620094 /nfs/dbraw/zinc/62/00/94/487620094.db2.gz BHWIBPOUPNWVRK-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000651864882 411147888 /nfs/dbraw/zinc/14/78/88/411147888.db2.gz HXGVCHPODZXCEK-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP CCOC[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865900 411148190 /nfs/dbraw/zinc/14/81/90/411148190.db2.gz MDYOJSTXHDWDIT-CYBMUJFWSA-N 2 1 230.396 1.979 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655936658 411159035 /nfs/dbraw/zinc/15/90/35/411159035.db2.gz KHDAFYZZFZMQCH-NSHDSACASA-N 2 1 245.326 1.651 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000653779841 411168961 /nfs/dbraw/zinc/16/89/61/411168961.db2.gz FVTLEFXBUZLBST-WDEREUQCSA-N 2 1 248.317 1.030 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000653779841 411168964 /nfs/dbraw/zinc/16/89/64/411168964.db2.gz FVTLEFXBUZLBST-WDEREUQCSA-N 2 1 248.317 1.030 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653779841 411168967 /nfs/dbraw/zinc/16/89/67/411168967.db2.gz FVTLEFXBUZLBST-WDEREUQCSA-N 2 1 248.317 1.030 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653779841 411168969 /nfs/dbraw/zinc/16/89/69/411168969.db2.gz FVTLEFXBUZLBST-WDEREUQCSA-N 2 1 248.317 1.030 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401005388 411169642 /nfs/dbraw/zinc/16/96/42/411169642.db2.gz BMNFXPDMDCKPOW-QLFBSQMISA-N 3 1 249.402 1.226 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(O)CC1 ZINC000652222757 411175348 /nfs/dbraw/zinc/17/53/48/411175348.db2.gz WUGFJULVRSMRCO-UHFFFAOYSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000659879973 411177566 /nfs/dbraw/zinc/17/75/66/411177566.db2.gz YYGSTXKBUTXNJP-KBPBESRZSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000659879973 411177567 /nfs/dbraw/zinc/17/75/67/411177567.db2.gz YYGSTXKBUTXNJP-KBPBESRZSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000659879973 411177573 /nfs/dbraw/zinc/17/75/73/411177573.db2.gz YYGSTXKBUTXNJP-KBPBESRZSA-N 2 1 240.391 1.562 20 0 BDADMP CCC[C@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800426 411183866 /nfs/dbraw/zinc/18/38/66/411183866.db2.gz JRAGWWSEEAJTDP-ZDUSSCGKSA-N 2 1 227.396 1.260 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000656193031 411198698 /nfs/dbraw/zinc/19/86/98/411198698.db2.gz JEYROLRJAAZTRY-AGIUHOORSA-N 3 1 237.391 1.521 20 0 BDADMP C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000656200085 411203953 /nfs/dbraw/zinc/20/39/53/411203953.db2.gz JKLPVUFXWGAHQJ-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP FC1(F)CCC(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656417017 411245527 /nfs/dbraw/zinc/24/55/27/411245527.db2.gz IVKQUVJJTSICOI-TXEJJXNPSA-N 2 1 244.329 1.963 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCF)C2)C1 ZINC000652349205 411211153 /nfs/dbraw/zinc/21/11/53/411211153.db2.gz FMEPZIPHOAGZQQ-YNEHKIRRSA-N 2 1 244.354 1.564 20 0 BDADMP C[C@@H](O)C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000653902542 411217311 /nfs/dbraw/zinc/21/73/11/411217311.db2.gz VYKLAABVVIHJGR-VXGBXAGGSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000660079947 411221390 /nfs/dbraw/zinc/22/13/90/411221390.db2.gz VCRLERWNSBHSQU-AWEZNQCLSA-N 2 1 242.407 1.950 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1CCC1 ZINC000660079947 411221393 /nfs/dbraw/zinc/22/13/93/411221393.db2.gz VCRLERWNSBHSQU-AWEZNQCLSA-N 2 1 242.407 1.950 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1CCC1 ZINC000660079947 411221395 /nfs/dbraw/zinc/22/13/95/411221395.db2.gz VCRLERWNSBHSQU-AWEZNQCLSA-N 2 1 242.407 1.950 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000655682650 411224206 /nfs/dbraw/zinc/22/42/06/411224206.db2.gz IDQQSEDJPMWUCI-JQWIXIFHSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422884899 411233115 /nfs/dbraw/zinc/23/31/15/411233115.db2.gz FVDZGMWWIFECDP-XJFOESAGSA-N 2 1 239.407 1.719 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C12CCC2 ZINC000401689623 411165728 /nfs/dbraw/zinc/16/57/28/411165728.db2.gz ZVEYHJZHCBFUDG-CHWSQXEVSA-N 2 1 249.358 1.510 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401659278 411274061 /nfs/dbraw/zinc/27/40/61/411274061.db2.gz WNTATYFKUKAIJW-VXGBXAGGSA-N 2 1 214.353 1.389 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000658170235 411279907 /nfs/dbraw/zinc/27/99/07/411279907.db2.gz SXJQCWPLRJPNCF-LOWDOPEQSA-N 2 1 226.364 1.484 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](C)C1 ZINC000658175249 411282141 /nfs/dbraw/zinc/28/21/41/411282141.db2.gz MVYMPXPVNGPWEO-QJPTWQEYSA-N 2 1 214.353 1.341 20 0 BDADMP C[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000051889939 411285280 /nfs/dbraw/zinc/28/52/80/411285280.db2.gz BVDKEVOAACWOLO-SNVBAGLBSA-N 2 1 210.346 1.789 20 0 BDADMP C[N@H+](Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000051889939 411285283 /nfs/dbraw/zinc/28/52/83/411285283.db2.gz BVDKEVOAACWOLO-SNVBAGLBSA-N 2 1 210.346 1.789 20 0 BDADMP OC[C@@H](CC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000656509867 411288670 /nfs/dbraw/zinc/28/86/70/411288670.db2.gz ZAKCKVVHMOUTPZ-CYBMUJFWSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)CC[N@H+]1C ZINC000658202065 411291070 /nfs/dbraw/zinc/29/10/70/411291070.db2.gz UPFZLGNAFRIDLK-AAEUAGOBSA-N 2 1 222.332 1.894 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCn2nccc21 ZINC000658239482 411308099 /nfs/dbraw/zinc/30/80/99/411308099.db2.gz VIGDNCWRUJMWAG-OLZOCXBDSA-N 2 1 248.374 1.792 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCn2nccc21 ZINC000658239482 411308101 /nfs/dbraw/zinc/30/81/01/411308101.db2.gz VIGDNCWRUJMWAG-OLZOCXBDSA-N 2 1 248.374 1.792 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCOC1 ZINC000402782038 411316454 /nfs/dbraw/zinc/31/64/54/411316454.db2.gz OAQHUHWXUPYEMW-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C23CCC3)CC[N@@H+]1C ZINC000658256207 411317052 /nfs/dbraw/zinc/31/70/52/411317052.db2.gz UOFATVGQLYWFFZ-NDBYEHHHSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C23CCC3)CC[N@H+]1C ZINC000658256207 411317054 /nfs/dbraw/zinc/31/70/54/411317054.db2.gz UOFATVGQLYWFFZ-NDBYEHHHSA-N 2 1 238.375 1.362 20 0 BDADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC1 ZINC000655700675 411251097 /nfs/dbraw/zinc/25/10/97/411251097.db2.gz NCSBUPSZIQQIQB-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656440724 411259368 /nfs/dbraw/zinc/25/93/68/411259368.db2.gz MJEKWLZJEMUHAZ-SECBINFHSA-N 2 1 203.249 1.072 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000656788055 411366839 /nfs/dbraw/zinc/36/68/39/411366839.db2.gz NPUGGCWVEIEMHF-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCCCF)CC2)C1 ZINC000662152205 411367538 /nfs/dbraw/zinc/36/75/38/411367538.db2.gz QWCIAGARRKIUHM-ZDUSSCGKSA-N 2 1 244.354 1.267 20 0 BDADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCCF)CC2)C1 ZINC000662152205 411367542 /nfs/dbraw/zinc/36/75/42/411367542.db2.gz QWCIAGARRKIUHM-ZDUSSCGKSA-N 2 1 244.354 1.267 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3COC[C@]3(C)C2)CC[NH2+]1 ZINC000656791490 411370982 /nfs/dbraw/zinc/37/09/82/411370982.db2.gz HRRUAOJCMURFOV-SYQHCUMBSA-N 2 1 238.375 1.343 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CCC2)C1 ZINC000653763487 411344604 /nfs/dbraw/zinc/34/46/04/411344604.db2.gz LZDFPVCYYDQNOS-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000653763487 411344609 /nfs/dbraw/zinc/34/46/09/411344609.db2.gz LZDFPVCYYDQNOS-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000653763487 411344613 /nfs/dbraw/zinc/34/46/13/411344613.db2.gz LZDFPVCYYDQNOS-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000404068217 411374421 /nfs/dbraw/zinc/37/44/21/411374421.db2.gz LCVFLMYDEZISJP-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000037878149 168162496 /nfs/dbraw/zinc/16/24/96/168162496.db2.gz XILMTBPAEUVWCW-HTAVTVPLSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662433 411375731 /nfs/dbraw/zinc/37/57/31/411375731.db2.gz KDQUBGKKSSUHEG-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662433 411375738 /nfs/dbraw/zinc/37/57/38/411375738.db2.gz KDQUBGKKSSUHEG-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662433 411375741 /nfs/dbraw/zinc/37/57/41/411375741.db2.gz KDQUBGKKSSUHEG-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661574 411376260 /nfs/dbraw/zinc/37/62/60/411376260.db2.gz DGSIAXBETKWCKT-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661574 411376264 /nfs/dbraw/zinc/37/62/64/411376264.db2.gz DGSIAXBETKWCKT-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661574 411376267 /nfs/dbraw/zinc/37/62/67/411376267.db2.gz DGSIAXBETKWCKT-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000657308333 411457634 /nfs/dbraw/zinc/45/76/34/411457634.db2.gz ZLDKPKVDGYBSDE-SGMGOOAPSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCOC)CO1 ZINC000657308052 411460026 /nfs/dbraw/zinc/46/00/26/411460026.db2.gz LUDYLLYRULUBLR-OLZOCXBDSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)[C@H]1CC[NH3+] ZINC000404409885 411394314 /nfs/dbraw/zinc/39/43/14/411394314.db2.gz BYPHBYIXBKEEHY-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2ccno2)[C@H]1CC[NH3+] ZINC000404443681 411397342 /nfs/dbraw/zinc/39/73/42/411397342.db2.gz WDLJAINFVJLTLQ-PWSUYJOCSA-N 2 1 223.320 1.624 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccno2)[C@H]1CC[NH3+] ZINC000404443681 411397344 /nfs/dbraw/zinc/39/73/44/411397344.db2.gz WDLJAINFVJLTLQ-PWSUYJOCSA-N 2 1 223.320 1.624 20 0 BDADMP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336723052 411412613 /nfs/dbraw/zinc/41/26/13/411412613.db2.gz TZDZAONFNBKUPO-CQSZACIVSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2nccs2)C1 ZINC000657182825 411417323 /nfs/dbraw/zinc/41/73/23/411417323.db2.gz GEUJRMWOBBYSOF-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C[NH3+] ZINC000405640056 411437856 /nfs/dbraw/zinc/43/78/56/411437856.db2.gz CJORWKUKNXPIDT-VXGBXAGGSA-N 2 1 232.343 1.422 20 0 BDADMP Cc1ccncc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292055382 411468724 /nfs/dbraw/zinc/46/87/24/411468724.db2.gz BXHPXXKLAQFCGF-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ccncc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292055382 411468727 /nfs/dbraw/zinc/46/87/27/411468727.db2.gz BXHPXXKLAQFCGF-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292055382 411468730 /nfs/dbraw/zinc/46/87/30/411468730.db2.gz BXHPXXKLAQFCGF-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292055382 411468731 /nfs/dbraw/zinc/46/87/31/411468731.db2.gz BXHPXXKLAQFCGF-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)CO1 ZINC000657338357 411473122 /nfs/dbraw/zinc/47/31/22/411473122.db2.gz VVVDDXIUNFIBNT-VXGBXAGGSA-N 2 1 223.320 1.349 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001505 411481740 /nfs/dbraw/zinc/48/17/40/411481740.db2.gz CKUCRQOKZVLIHZ-QWHCGFSZSA-N 3 1 239.407 1.352 20 0 BDADMP CC(C)(C)NCC[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001505 411481746 /nfs/dbraw/zinc/48/17/46/411481746.db2.gz CKUCRQOKZVLIHZ-QWHCGFSZSA-N 2 1 239.407 1.352 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CSC2(C)C)CC1 ZINC000309057799 169956896 /nfs/dbraw/zinc/95/68/96/169956896.db2.gz VEQDNZZDIOINOX-LLVKDONJSA-N 2 1 228.405 1.954 20 0 BDADMP C[N@H+]1CC=C(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657427620 411503873 /nfs/dbraw/zinc/50/38/73/411503873.db2.gz QERAJBZGBZIICW-UHFFFAOYSA-N 2 1 246.358 1.181 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657427620 411503875 /nfs/dbraw/zinc/50/38/75/411503875.db2.gz QERAJBZGBZIICW-UHFFFAOYSA-N 2 1 246.358 1.181 20 0 BDADMP CCCn1nccc1C[NH2+]CCC[NH+]1CCC1 ZINC000657423772 411505163 /nfs/dbraw/zinc/50/51/63/411505163.db2.gz LZTYHFYNMKKPON-UHFFFAOYSA-N 2 1 236.363 1.479 20 0 BDADMP COC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000659983458 411518504 /nfs/dbraw/zinc/51/85/04/411518504.db2.gz MOPOQBXOORGKFO-UPJWGTAASA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000659983458 411518508 /nfs/dbraw/zinc/51/85/08/411518508.db2.gz MOPOQBXOORGKFO-UPJWGTAASA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000659983458 411518510 /nfs/dbraw/zinc/51/85/10/411518510.db2.gz MOPOQBXOORGKFO-UPJWGTAASA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000659983458 411518511 /nfs/dbraw/zinc/51/85/11/411518511.db2.gz MOPOQBXOORGKFO-UPJWGTAASA-N 2 1 244.379 1.062 20 0 BDADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000655818773 411525625 /nfs/dbraw/zinc/52/56/25/411525625.db2.gz UEPODBGEFWIPFY-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000655817704 411528367 /nfs/dbraw/zinc/52/83/67/411528367.db2.gz ODAFBAYGPCGBAQ-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CO1 ZINC000657491137 411531613 /nfs/dbraw/zinc/53/16/13/411531613.db2.gz CGUIKWMHSPFDJX-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299444 170005180 /nfs/dbraw/zinc/00/51/80/170005180.db2.gz HAWMDVSBFFVRPD-IJLUTSLNSA-N 2 1 212.337 1.190 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2)[C@H](C)C1 ZINC000268988998 170011280 /nfs/dbraw/zinc/01/12/80/170011280.db2.gz FSDOJYBFMIGVKM-UKRRQHHQSA-N 2 1 247.386 1.944 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnccn2)[C@@H](C)C1 ZINC000341887055 170013109 /nfs/dbraw/zinc/01/31/09/170013109.db2.gz KEFQGJDNPRKXLA-GXTWGEPZSA-N 2 1 248.374 1.339 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000360416467 170016483 /nfs/dbraw/zinc/01/64/83/170016483.db2.gz IFGADPOCTBRJGY-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000360416467 170016484 /nfs/dbraw/zinc/01/64/84/170016484.db2.gz IFGADPOCTBRJGY-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000360416467 170016485 /nfs/dbraw/zinc/01/64/85/170016485.db2.gz IFGADPOCTBRJGY-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000360416467 170016486 /nfs/dbraw/zinc/01/64/86/170016486.db2.gz IFGADPOCTBRJGY-MJBXVCDLSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000360416467 170016487 /nfs/dbraw/zinc/01/64/87/170016487.db2.gz IFGADPOCTBRJGY-MJBXVCDLSA-N 3 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000360416467 170016488 /nfs/dbraw/zinc/01/64/88/170016488.db2.gz IFGADPOCTBRJGY-MJBXVCDLSA-N 3 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000360416467 170016489 /nfs/dbraw/zinc/01/64/89/170016489.db2.gz IFGADPOCTBRJGY-MJBXVCDLSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000050595867 170016525 /nfs/dbraw/zinc/01/65/25/170016525.db2.gz HFPNKLHBXNRHLT-GFCCVEGCSA-N 2 1 221.348 1.457 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCOC2)[C@H](C)C1 ZINC000336717183 170018445 /nfs/dbraw/zinc/01/84/45/170018445.db2.gz WEQIMNQLBVDWTG-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCOC2)[C@H](C)C1 ZINC000336717183 170018446 /nfs/dbraw/zinc/01/84/46/170018446.db2.gz WEQIMNQLBVDWTG-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCOC2)[C@H](C)C1 ZINC000336717183 170018448 /nfs/dbraw/zinc/01/84/48/170018448.db2.gz WEQIMNQLBVDWTG-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCO2)[C@H](C)C1 ZINC000336712197 170019117 /nfs/dbraw/zinc/01/91/17/170019117.db2.gz RPLOZQBBNNFJSL-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCO2)[C@H](C)C1 ZINC000336712197 170019119 /nfs/dbraw/zinc/01/91/19/170019119.db2.gz RPLOZQBBNNFJSL-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCO2)[C@H](C)C1 ZINC000336712197 170019120 /nfs/dbraw/zinc/01/91/20/170019120.db2.gz RPLOZQBBNNFJSL-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCO2)C[C@@H]1C ZINC000336682229 170019368 /nfs/dbraw/zinc/01/93/68/170019368.db2.gz DAQXADRQWFUXPO-IHRRRGAJSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCO2)C[C@@H]1C ZINC000336682229 170019370 /nfs/dbraw/zinc/01/93/70/170019370.db2.gz DAQXADRQWFUXPO-IHRRRGAJSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCO2)C[C@@H]1C ZINC000336682229 170019372 /nfs/dbraw/zinc/01/93/72/170019372.db2.gz DAQXADRQWFUXPO-IHRRRGAJSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)OC)[C@@H](C)C1 ZINC000336777494 170020490 /nfs/dbraw/zinc/02/04/90/170020490.db2.gz IQJZUEDFBXPHOY-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@H](C)C1 ZINC000336776240 170020587 /nfs/dbraw/zinc/02/05/87/170020587.db2.gz FFWPGSMREZODJT-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)OC)[C@H](C)C1 ZINC000336777491 170020897 /nfs/dbraw/zinc/02/08/97/170020897.db2.gz IQJZUEDFBXPHOY-AGIUHOORSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CC2)[C@H](C)C1 ZINC000340492604 170020933 /nfs/dbraw/zinc/02/09/33/170020933.db2.gz RJNOZLQZJHMGHT-XBFCOCLRSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CC2)[C@H](C)C1 ZINC000353517826 170021406 /nfs/dbraw/zinc/02/14/06/170021406.db2.gz ZELYBVZGALCHAD-BNOWGMLFSA-N 2 1 240.391 1.325 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@H](C)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000353568076 170037512 /nfs/dbraw/zinc/03/75/12/170037512.db2.gz OTNJAMHLSINZLD-MJBXVCDLSA-N 2 1 241.423 1.645 20 0 BDADMP CC[NH+]1C[C@H](N[C@H](C)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000353568076 170037513 /nfs/dbraw/zinc/03/75/13/170037513.db2.gz OTNJAMHLSINZLD-MJBXVCDLSA-N 2 1 241.423 1.645 20 0 BDADMP CC[NH+]1C[C@H](N[C@H](C)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000353568076 170037515 /nfs/dbraw/zinc/03/75/15/170037515.db2.gz OTNJAMHLSINZLD-MJBXVCDLSA-N 2 1 241.423 1.645 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336658804 170374376 /nfs/dbraw/zinc/37/43/76/170374376.db2.gz BFXSTWXBGJIGIW-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C)CC2)O1 ZINC000657663658 411576422 /nfs/dbraw/zinc/57/64/22/411576422.db2.gz JZGCYSGUBITDDS-YPMHNXCESA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616123 411608157 /nfs/dbraw/zinc/60/81/57/411608157.db2.gz GYRYAQIMWJEQFC-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616123 411608158 /nfs/dbraw/zinc/60/81/58/411608158.db2.gz GYRYAQIMWJEQFC-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616123 411608161 /nfs/dbraw/zinc/60/81/61/411608161.db2.gz GYRYAQIMWJEQFC-JSGCOSHPSA-N 2 1 238.375 1.582 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662658 411615926 /nfs/dbraw/zinc/61/59/26/411615926.db2.gz KNHNZHFDAVSFAH-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662658 411615927 /nfs/dbraw/zinc/61/59/27/411615927.db2.gz KNHNZHFDAVSFAH-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662658 411615928 /nfs/dbraw/zinc/61/59/28/411615928.db2.gz KNHNZHFDAVSFAH-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CCC1(C)C ZINC000660754535 411620998 /nfs/dbraw/zinc/62/09/98/411620998.db2.gz INDUYACNACKHLR-CHWSQXEVSA-N 2 1 242.407 1.950 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503591 411687171 /nfs/dbraw/zinc/68/71/71/411687171.db2.gz PYKLKTWGYGOMMU-VXGBXAGGSA-N 2 1 246.358 1.223 20 0 BDADMP Cc1cc(CO)cc(N2CC[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000663788795 411747401 /nfs/dbraw/zinc/74/74/01/411747401.db2.gz UIGWTGCITZFYGN-LBPRGKRZSA-N 2 1 249.358 1.270 20 0 BDADMP C[N@@H+]1C[C@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@H]2C1 ZINC000663852531 411762542 /nfs/dbraw/zinc/76/25/42/411762542.db2.gz WWILECLLDXPOFT-PHIMTYICSA-N 2 1 242.326 1.561 20 0 BDADMP CN(C)CC(C)(C)[NH2+]CCCc1c[nH+]cn1C ZINC000314787046 411828805 /nfs/dbraw/zinc/82/88/05/411828805.db2.gz VQIYGDBDAWERNW-UHFFFAOYSA-N 2 1 238.379 1.283 20 0 BDADMP CC(C)(CO)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132210330 411841909 /nfs/dbraw/zinc/84/19/09/411841909.db2.gz ZNXWAFNEWXTVFJ-CHWSQXEVSA-N 2 1 234.343 1.739 20 0 BDADMP CC(C)(CO)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132210140 411842255 /nfs/dbraw/zinc/84/22/55/411842255.db2.gz ZNXWAFNEWXTVFJ-STQMWFEESA-N 2 1 234.343 1.739 20 0 BDADMP O[C@H]1CC[N@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000662153747 412009051 /nfs/dbraw/zinc/00/90/51/412009051.db2.gz ULDBRDRRTVYQGS-AWEZNQCLSA-N 2 1 238.375 1.460 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[NH2+]C(C)C ZINC000664718353 412014739 /nfs/dbraw/zinc/01/47/39/412014739.db2.gz CKUHIFHUQCASHA-UHFFFAOYSA-N 2 1 243.395 1.221 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662034511 411953794 /nfs/dbraw/zinc/95/37/94/411953794.db2.gz NPRIXJHNLGYKKI-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662034511 411953798 /nfs/dbraw/zinc/95/37/98/411953798.db2.gz NPRIXJHNLGYKKI-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662034511 411953804 /nfs/dbraw/zinc/95/38/04/411953804.db2.gz NPRIXJHNLGYKKI-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000662215025 412027606 /nfs/dbraw/zinc/02/76/06/412027606.db2.gz DSAQPNPWDIGGOC-JSGCOSHPSA-N 2 1 240.391 1.469 20 0 BDADMP CO[C@@H](C[N@H+](C)[C@@H](C)CN)C1CCC1 ZINC000662244984 412035523 /nfs/dbraw/zinc/03/55/23/412035523.db2.gz QTJDAZSSBXEACN-ONGXEEELSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@@H](C[N@@H+](C)[C@@H](C)CN)C1CCC1 ZINC000662244984 412035525 /nfs/dbraw/zinc/03/55/25/412035525.db2.gz QTJDAZSSBXEACN-ONGXEEELSA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)CC[C@H]1[NH3+] ZINC000662270439 412059322 /nfs/dbraw/zinc/05/93/22/412059322.db2.gz KTWIITSETNQHAL-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP CCc1nocc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662245733 412043816 /nfs/dbraw/zinc/04/38/16/412043816.db2.gz OFOUUPGNIUGCDG-QWRGUYRKSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1nocc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662245733 412043818 /nfs/dbraw/zinc/04/38/18/412043818.db2.gz OFOUUPGNIUGCDG-QWRGUYRKSA-N 2 1 237.347 1.796 20 0 BDADMP CO[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])C1CCC1 ZINC000662246776 412043855 /nfs/dbraw/zinc/04/38/55/412043855.db2.gz COGYQRPYXPZHIC-GFCCVEGCSA-N 2 1 228.380 1.718 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662247557 412045145 /nfs/dbraw/zinc/04/51/45/412045145.db2.gz XPUFULZXVOHERZ-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249399 412046370 /nfs/dbraw/zinc/04/63/70/412046370.db2.gz MDJWWBMLZNMSSF-NEPJUHHUSA-N 2 1 224.348 1.382 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250263 412046417 /nfs/dbraw/zinc/04/64/17/412046417.db2.gz COOULHHSJVQQBP-LBPRGKRZSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252874 412048919 /nfs/dbraw/zinc/04/89/19/412048919.db2.gz QTIWYRXRCXMLDM-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C1(C)CC1 ZINC000662257724 412052343 /nfs/dbraw/zinc/05/23/43/412052343.db2.gz FWKDFMYYRYMZRF-VXGBXAGGSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259032 412053645 /nfs/dbraw/zinc/05/36/45/412053645.db2.gz OMYURUKUEAANPA-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259144 412055000 /nfs/dbraw/zinc/05/50/00/412055000.db2.gz QUCPLVLMFXRJNR-STQMWFEESA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)C1CCC1 ZINC000662264731 412055701 /nfs/dbraw/zinc/05/57/01/412055701.db2.gz JZZIBWUBGCERCY-NQBHXWOUSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000662265176 412056105 /nfs/dbraw/zinc/05/61/05/412056105.db2.gz GCNLPGQAGFULKP-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(C2CC2)no1 ZINC000662264746 412056330 /nfs/dbraw/zinc/05/63/30/412056330.db2.gz KMWBHJGEEJCNAG-NXEZZACHSA-N 2 1 235.331 1.721 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(C2CC2)no1 ZINC000662264746 412056334 /nfs/dbraw/zinc/05/63/34/412056334.db2.gz KMWBHJGEEJCNAG-NXEZZACHSA-N 2 1 235.331 1.721 20 0 BDADMP CO[C@H](C[NH2+]CC1([NH3+])CCC1)c1ccccc1 ZINC000662264413 412056642 /nfs/dbraw/zinc/05/66/42/412056642.db2.gz CWJBFIUFFYVQSD-CYBMUJFWSA-N 2 1 234.343 1.845 20 0 BDADMP CO[C@@H](C[N@@H+]1CCNC[C@@](C)(F)C1)C1CCC1 ZINC000662272267 412062664 /nfs/dbraw/zinc/06/26/64/412062664.db2.gz DJWUKAZFUCROPA-QWHCGFSZSA-N 2 1 244.354 1.435 20 0 BDADMP CO[C@@H](C[N@H+]1CCNC[C@@](C)(F)C1)C1CCC1 ZINC000662272267 412062667 /nfs/dbraw/zinc/06/26/67/412062667.db2.gz DJWUKAZFUCROPA-QWHCGFSZSA-N 2 1 244.354 1.435 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2conc2C)CC[C@H]1[NH3+] ZINC000662271238 412063407 /nfs/dbraw/zinc/06/34/07/412063407.db2.gz UHYUBYNJMBZSEV-ZYHUDNBSSA-N 2 1 223.320 1.542 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2conc2C)CC[C@H]1[NH3+] ZINC000662271238 412063412 /nfs/dbraw/zinc/06/34/12/412063412.db2.gz UHYUBYNJMBZSEV-ZYHUDNBSSA-N 2 1 223.320 1.542 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2conc2C)CC[C@@H]1[NH3+] ZINC000662271237 412063968 /nfs/dbraw/zinc/06/39/68/412063968.db2.gz UHYUBYNJMBZSEV-PWSUYJOCSA-N 2 1 223.320 1.542 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2conc2C)CC[C@@H]1[NH3+] ZINC000662271237 412063970 /nfs/dbraw/zinc/06/39/70/412063970.db2.gz UHYUBYNJMBZSEV-PWSUYJOCSA-N 2 1 223.320 1.542 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251579598 171109206 /nfs/dbraw/zinc/10/92/06/171109206.db2.gz CGCBKRNMNGPRKH-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251579598 171109209 /nfs/dbraw/zinc/10/92/09/171109209.db2.gz CGCBKRNMNGPRKH-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000662273486 412064600 /nfs/dbraw/zinc/06/46/00/412064600.db2.gz NMAXUPLLENRMFJ-CHWSQXEVSA-N 2 1 249.358 1.805 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919117 171112067 /nfs/dbraw/zinc/11/20/67/171112067.db2.gz YLBKTLOYNUDGFU-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCc1nocc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000662274011 412065288 /nfs/dbraw/zinc/06/52/88/412065288.db2.gz RLJZFHFEXVRAEE-LBPRGKRZSA-N 2 1 237.347 1.940 20 0 BDADMP CCc1nocc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000662274011 412065293 /nfs/dbraw/zinc/06/52/93/412065293.db2.gz RLJZFHFEXVRAEE-LBPRGKRZSA-N 2 1 237.347 1.940 20 0 BDADMP CO[C@@H](C[N@H+](C)C1(C[NH3+])CCC1)C1CCC1 ZINC000662273019 412065518 /nfs/dbraw/zinc/06/55/18/412065518.db2.gz JKBANNQJAQEKSG-LBPRGKRZSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@@H](C[N@@H+](C)C1(C[NH3+])CCC1)C1CCC1 ZINC000662273019 412065522 /nfs/dbraw/zinc/06/55/22/412065522.db2.gz JKBANNQJAQEKSG-LBPRGKRZSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000132557377 412066425 /nfs/dbraw/zinc/06/64/25/412066425.db2.gz DYHAABCEJSMVPF-MQYQWHSLSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000132557377 412066428 /nfs/dbraw/zinc/06/64/28/412066428.db2.gz DYHAABCEJSMVPF-MQYQWHSLSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282554 412072638 /nfs/dbraw/zinc/07/26/38/412072638.db2.gz CFLYARCHRNWRHZ-LBELIVKGSA-N 2 1 208.349 1.844 20 0 BDADMP CO[C@@H](C[N@H+](C)CC(C)(C)[NH3+])C1CCC1 ZINC000662293220 412081214 /nfs/dbraw/zinc/08/12/14/412081214.db2.gz DJLLXWBTWSSIQI-NSHDSACASA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CCC1 ZINC000662293220 412081216 /nfs/dbraw/zinc/08/12/16/412081216.db2.gz DJLLXWBTWSSIQI-NSHDSACASA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H](N)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294688 412082357 /nfs/dbraw/zinc/08/23/57/412082357.db2.gz RVWOFMLASURNBT-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294688 412082361 /nfs/dbraw/zinc/08/23/61/412082361.db2.gz RVWOFMLASURNBT-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP FCC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000662312189 412093865 /nfs/dbraw/zinc/09/38/65/412093865.db2.gz XAZLQCWLYBTLIF-VXGBXAGGSA-N 2 1 214.328 1.668 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCc2ccccc21 ZINC000662321095 412100095 /nfs/dbraw/zinc/10/00/95/412100095.db2.gz GXOFSAOZBPDVKZ-AWEZNQCLSA-N 2 1 248.370 1.624 20 0 BDADMP Cc1ccncc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000665239697 412178874 /nfs/dbraw/zinc/17/88/74/412178874.db2.gz XQWOSQRNGBUNTB-TZMCWYRMSA-N 2 1 233.359 1.520 20 0 BDADMP Cc1ccncc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665239630 412180495 /nfs/dbraw/zinc/18/04/95/412180495.db2.gz WDSVPLIGGQBDDC-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@@H]1CC[NH2+]C1 ZINC000665264617 412206768 /nfs/dbraw/zinc/20/67/68/412206768.db2.gz DUMWNHLJOFRZPE-ZYHUDNBSSA-N 2 1 248.374 1.385 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665274141 412217953 /nfs/dbraw/zinc/21/79/53/412217953.db2.gz KPBKTTHBRUULMV-MELADBBJSA-N 2 1 239.407 1.720 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665274141 412217956 /nfs/dbraw/zinc/21/79/56/412217956.db2.gz KPBKTTHBRUULMV-MELADBBJSA-N 2 1 239.407 1.720 20 0 BDADMP C[N@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@H]2CCC[C@@H]21 ZINC000665279623 412222428 /nfs/dbraw/zinc/22/24/28/412222428.db2.gz HNFNXGLDEPXQDN-IUWDBWQKSA-N 2 1 249.402 1.201 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000665280455 412225341 /nfs/dbraw/zinc/22/53/41/412225341.db2.gz BWJUHNHPQMLPLV-FRRDWIJNSA-N 2 1 227.396 1.432 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccco1 ZINC000665283338 412228551 /nfs/dbraw/zinc/22/85/51/412228551.db2.gz MCBFCKNWAFAYSZ-YPMHNXCESA-N 2 1 222.332 1.800 20 0 BDADMP CCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665298993 412246449 /nfs/dbraw/zinc/24/64/49/412246449.db2.gz DPFALICKEBCYNP-FOSCPWQOSA-N 2 1 234.347 1.276 20 0 BDADMP CC[C@H]([NH2+]CCOCCF)[C@@H]1CCC[NH2+]1 ZINC000665299737 412248281 /nfs/dbraw/zinc/24/82/81/412248281.db2.gz RWTXDORAYWWNLV-QWRGUYRKSA-N 2 1 218.316 1.093 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662845561 412320103 /nfs/dbraw/zinc/32/01/03/412320103.db2.gz UORPTWFGNPXOHR-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP CCc1nocc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000339342022 172098483 /nfs/dbraw/zinc/09/84/83/172098483.db2.gz YHBNZAZTJGBVLC-UHFFFAOYSA-N 2 1 235.331 1.589 20 0 BDADMP CCn1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000250338473 172165005 /nfs/dbraw/zinc/16/50/05/172165005.db2.gz KDCHTEKFYJLJKZ-WCQYABFASA-N 2 1 236.363 1.462 20 0 BDADMP CCn1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000250338473 172165008 /nfs/dbraw/zinc/16/50/08/172165008.db2.gz KDCHTEKFYJLJKZ-WCQYABFASA-N 2 1 236.363 1.462 20 0 BDADMP CCn1cc(CNC[C@H]2CCC[N@@H+]2C)cn1 ZINC000112097519 172172018 /nfs/dbraw/zinc/17/20/18/172172018.db2.gz QTHYKMKTEKJHNH-GFCCVEGCSA-N 2 1 222.336 1.087 20 0 BDADMP CCn1cc(CNC[C@H]2CCC[N@H+]2C)cn1 ZINC000112097519 172172021 /nfs/dbraw/zinc/17/20/21/172172021.db2.gz QTHYKMKTEKJHNH-GFCCVEGCSA-N 2 1 222.336 1.087 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229058257 172268616 /nfs/dbraw/zinc/26/86/16/172268616.db2.gz UAHGIGXCRGUNSK-RYUDHWBXSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229058257 172268617 /nfs/dbraw/zinc/26/86/17/172268617.db2.gz UAHGIGXCRGUNSK-RYUDHWBXSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1nccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291743864 172270761 /nfs/dbraw/zinc/27/07/61/172270761.db2.gz PFZVXGSOQKLOSG-LLVKDONJSA-N 2 1 224.352 1.190 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337995468 172492856 /nfs/dbraw/zinc/49/28/56/172492856.db2.gz MVKLSCSBIBSVCZ-YNEHKIRRSA-N 2 1 246.370 1.417 20 0 BDADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)n1 ZINC000368964644 173003011 /nfs/dbraw/zinc/00/30/11/173003011.db2.gz HDVVWHXSNURFDV-UHFFFAOYSA-N 2 1 248.374 1.480 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)n1 ZINC000368964644 173003013 /nfs/dbraw/zinc/00/30/13/173003013.db2.gz HDVVWHXSNURFDV-UHFFFAOYSA-N 2 1 248.374 1.480 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000044533439 173042872 /nfs/dbraw/zinc/04/28/72/173042872.db2.gz SYVKJBXYMPBTCB-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H](CO)C1 ZINC000372880294 173049488 /nfs/dbraw/zinc/04/94/88/173049488.db2.gz KUYRQVZDYORSQP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000372880294 173049490 /nfs/dbraw/zinc/04/94/90/173049490.db2.gz KUYRQVZDYORSQP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H](CO)C1 ZINC000372880294 173049493 /nfs/dbraw/zinc/04/94/93/173049493.db2.gz KUYRQVZDYORSQP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CO)CC1 ZINC000305100214 173050492 /nfs/dbraw/zinc/05/04/92/173050492.db2.gz BDTUDDKTOQYZJV-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C(C)(C)C1 ZINC000336250374 173052365 /nfs/dbraw/zinc/05/23/65/173052365.db2.gz LGXMCUYQHYORPA-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000336250374 173052367 /nfs/dbraw/zinc/05/23/67/173052367.db2.gz LGXMCUYQHYORPA-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000336250374 173052369 /nfs/dbraw/zinc/05/23/69/173052369.db2.gz LGXMCUYQHYORPA-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CC[C@@H](CNC(N)=[NH2+])[C@@H]1c1cccs1 ZINC000361940765 173111477 /nfs/dbraw/zinc/11/14/77/173111477.db2.gz CFRBOCYRDOHLNZ-WCBMZHEXSA-N 2 1 238.360 1.224 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCF)[C@H]2CCC[C@@H]21 ZINC000306939467 173151677 /nfs/dbraw/zinc/15/16/77/173151677.db2.gz KMAWFFWXGOEKAX-VWYCJHECSA-N 2 1 200.301 1.418 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353621302 173151718 /nfs/dbraw/zinc/15/17/18/173151718.db2.gz LTAHEXCZQJCJBU-IHRRRGAJSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353621302 173151721 /nfs/dbraw/zinc/15/17/21/173151721.db2.gz LTAHEXCZQJCJBU-IHRRRGAJSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@H]2CCC[C@@H]21 ZINC000353391234 173153094 /nfs/dbraw/zinc/15/30/94/173153094.db2.gz BILIBESGWFOOQJ-RDBSUJKOSA-N 2 1 248.374 1.346 20 0 BDADMP C[NH2+]C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000336409368 173323506 /nfs/dbraw/zinc/32/35/06/173323506.db2.gz SRLCGTHFILEYDM-UHFFFAOYSA-N 2 1 244.342 1.747 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOc1ccccc1F ZINC000124986121 173345904 /nfs/dbraw/zinc/34/59/04/173345904.db2.gz AKAKJJGGYUMTJH-UHFFFAOYSA-N 2 1 240.322 1.746 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOc1ccccc1F ZINC000124986121 173345906 /nfs/dbraw/zinc/34/59/06/173345906.db2.gz AKAKJJGGYUMTJH-UHFFFAOYSA-N 2 1 240.322 1.746 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000042409234 173347543 /nfs/dbraw/zinc/34/75/43/173347543.db2.gz LTWLCTRLEYYTJA-UHFFFAOYSA-N 2 1 204.317 1.654 20 0 BDADMP C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000042409234 173347544 /nfs/dbraw/zinc/34/75/44/173347544.db2.gz LTWLCTRLEYYTJA-UHFFFAOYSA-N 2 1 204.317 1.654 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000083358577 173348599 /nfs/dbraw/zinc/34/85/99/173348599.db2.gz BLIJSNZZQGRHGX-UHFFFAOYSA-N 2 1 232.249 1.803 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000053030937 173381494 /nfs/dbraw/zinc/38/14/94/173381494.db2.gz JOLSFSOSHYGCQN-SNVBAGLBSA-N 2 1 210.346 1.789 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000053031128 173381553 /nfs/dbraw/zinc/38/15/53/173381553.db2.gz QPJZETUXYTXIAM-NWDGAFQWSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000053031128 173381554 /nfs/dbraw/zinc/38/15/54/173381554.db2.gz QPJZETUXYTXIAM-NWDGAFQWSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000053031101 173381621 /nfs/dbraw/zinc/38/16/21/173381621.db2.gz SZAHDEIIOKEJJQ-VXGBXAGGSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2cccnc2)C1 ZINC000053031101 173381622 /nfs/dbraw/zinc/38/16/22/173381622.db2.gz SZAHDEIIOKEJJQ-VXGBXAGGSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000011891955 173381950 /nfs/dbraw/zinc/38/19/50/173381950.db2.gz NPFYZDGJTLVWMS-CYBMUJFWSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000011891955 173381952 /nfs/dbraw/zinc/38/19/52/173381952.db2.gz NPFYZDGJTLVWMS-CYBMUJFWSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000011891984 173381978 /nfs/dbraw/zinc/38/19/78/173381978.db2.gz WAIOZZUVVFJNJE-CQSZACIVSA-N 2 1 218.344 1.770 20 0 BDADMP COC1CCC(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000360241072 174020908 /nfs/dbraw/zinc/02/09/08/174020908.db2.gz YKAVUFDPRWFINT-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336762511 174076883 /nfs/dbraw/zinc/07/68/83/174076883.db2.gz LKJTWSKSEZLPAL-RYUDHWBXSA-N 2 1 228.380 1.589 20 0 BDADMP COCC1(C[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000336669052 174103165 /nfs/dbraw/zinc/10/31/65/174103165.db2.gz MTTBTQNLUHCMSO-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP COCCCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000359036161 174177675 /nfs/dbraw/zinc/17/76/75/174177675.db2.gz CCAQKMVTGLXEDG-CHWSQXEVSA-N 2 1 244.379 1.241 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000359036161 174177676 /nfs/dbraw/zinc/17/76/76/174177676.db2.gz CCAQKMVTGLXEDG-CHWSQXEVSA-N 2 1 244.379 1.241 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234627389 174287280 /nfs/dbraw/zinc/28/72/80/174287280.db2.gz SUTCLAISVNXZNU-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP COCC[N@@H+](CCC[NH+](C)C)CC(C)C ZINC000337344102 174290442 /nfs/dbraw/zinc/29/04/42/174290442.db2.gz YKTDVGOCVAQZIA-UHFFFAOYSA-N 2 1 216.369 1.543 20 0 BDADMP COCC[NH+]1CCC([NH2+]CCCCF)CC1 ZINC000309922409 174305046 /nfs/dbraw/zinc/30/50/46/174305046.db2.gz SVPIAVMMWKYNTF-UHFFFAOYSA-N 2 1 232.343 1.437 20 0 BDADMP COCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172517 174305284 /nfs/dbraw/zinc/30/52/84/174305284.db2.gz FTWRPMREULQZMO-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP COCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336662785 174313016 /nfs/dbraw/zinc/31/30/16/174313016.db2.gz CSDVFLMLYGWPNQ-CYBMUJFWSA-N 2 1 226.364 1.297 20 0 BDADMP COCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336662785 174313017 /nfs/dbraw/zinc/31/30/17/174313017.db2.gz CSDVFLMLYGWPNQ-CYBMUJFWSA-N 2 1 226.364 1.297 20 0 BDADMP COCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336662785 174313018 /nfs/dbraw/zinc/31/30/18/174313018.db2.gz CSDVFLMLYGWPNQ-CYBMUJFWSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000366732965 174581446 /nfs/dbraw/zinc/58/14/46/174581446.db2.gz YNHUEXFQSVABJG-YPMHNXCESA-N 2 1 249.358 1.460 20 0 BDADMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000011888384 175259143 /nfs/dbraw/zinc/25/91/43/175259143.db2.gz ZCGDLFYNBVNLPX-CYBMUJFWSA-N 2 1 234.343 1.866 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000094087442 175333602 /nfs/dbraw/zinc/33/36/02/175333602.db2.gz WOPNCVYECZVOPC-WCQYABFASA-N 2 1 234.343 1.578 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527869 176027357 /nfs/dbraw/zinc/02/73/57/176027357.db2.gz VBWYLAFWDFPCCZ-NWDGAFQWSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309461374 176084763 /nfs/dbraw/zinc/08/47/63/176084763.db2.gz OWMHBMYXQLSWLO-RQJABVFESA-N 2 1 222.376 1.964 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000042318336 176120585 /nfs/dbraw/zinc/12/05/85/176120585.db2.gz VPTBAQGAJQIDPT-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336674178 176200275 /nfs/dbraw/zinc/20/02/75/176200275.db2.gz UKFKASZJLGEMRL-NQBHXWOUSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336674178 176200276 /nfs/dbraw/zinc/20/02/76/176200276.db2.gz UKFKASZJLGEMRL-NQBHXWOUSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358308784 176268590 /nfs/dbraw/zinc/26/85/90/176268590.db2.gz ZLVOCVLDUUAMKN-WXHSDQCUSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358308784 176268591 /nfs/dbraw/zinc/26/85/91/176268591.db2.gz ZLVOCVLDUUAMKN-WXHSDQCUSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000127051777 176268973 /nfs/dbraw/zinc/26/89/73/176268973.db2.gz FBJAMFOJVQVQHN-OLZOCXBDSA-N 2 1 236.363 1.203 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119261815 176269021 /nfs/dbraw/zinc/26/90/21/176269021.db2.gz PZWNGVYVTPOUAK-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119261815 176269023 /nfs/dbraw/zinc/26/90/23/176269023.db2.gz PZWNGVYVTPOUAK-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000305118725 176269406 /nfs/dbraw/zinc/26/94/06/176269406.db2.gz GIQLZURUDCBUDA-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000361881822 176269511 /nfs/dbraw/zinc/26/95/11/176269511.db2.gz WXZISAPZROZEBG-OLZOCXBDSA-N 2 1 248.374 1.423 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCOCC1 ZINC000119021221 176269606 /nfs/dbraw/zinc/26/96/06/176269606.db2.gz PZGOPBRVWUOTJM-PWSUYJOCSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCOCC1 ZINC000119021221 176269608 /nfs/dbraw/zinc/26/96/08/176269608.db2.gz PZGOPBRVWUOTJM-PWSUYJOCSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000361184537 176269635 /nfs/dbraw/zinc/26/96/35/176269635.db2.gz SIWYSGKGQUFRHK-DOMZBBRYSA-N 2 1 248.370 1.609 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000359075424 176271012 /nfs/dbraw/zinc/27/10/12/176271012.db2.gz ZIBLBICMTMDSFS-ZIAGYGMSSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccnc1 ZINC000037718075 176277975 /nfs/dbraw/zinc/27/79/75/176277975.db2.gz FOAGROGKXPAVDW-UMVBOHGHSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOCC1CC1 ZINC000300409613 176278093 /nfs/dbraw/zinc/27/80/93/176278093.db2.gz AUISGBRQZWNARA-YRGRVCCFSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOCC1CC1 ZINC000300409611 176278376 /nfs/dbraw/zinc/27/83/76/176278376.db2.gz AUISGBRQZWNARA-BZPMIXESSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCC1 ZINC000336783271 176278518 /nfs/dbraw/zinc/27/85/18/176278518.db2.gz ZYHNOMRDLOTUFT-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cnccn1 ZINC000341901520 176278767 /nfs/dbraw/zinc/27/87/67/176278767.db2.gz YWNSGEWQDQZGNX-BZPMIXESSA-N 2 1 248.374 1.337 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000020072038 176287846 /nfs/dbraw/zinc/28/78/46/176287846.db2.gz NHHOKGTZTMXXSZ-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000336339499 176292210 /nfs/dbraw/zinc/29/22/10/176292210.db2.gz DMCIAUJLENBEFD-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000336339499 176292211 /nfs/dbraw/zinc/29/22/11/176292211.db2.gz DMCIAUJLENBEFD-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000336339499 176292213 /nfs/dbraw/zinc/29/22/13/176292213.db2.gz DMCIAUJLENBEFD-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000086884384 176305448 /nfs/dbraw/zinc/30/54/48/176305448.db2.gz XLRYLCVRXOYQHH-MFKMUULPSA-N 2 1 220.316 1.561 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000086884384 176305450 /nfs/dbraw/zinc/30/54/50/176305450.db2.gz XLRYLCVRXOYQHH-MFKMUULPSA-N 2 1 220.316 1.561 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000063152997 176309277 /nfs/dbraw/zinc/30/92/77/176309277.db2.gz QVXZTAKFVFRTKU-KOLCDFICSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000063152997 176309278 /nfs/dbraw/zinc/30/92/78/176309278.db2.gz QVXZTAKFVFRTKU-KOLCDFICSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H]1COCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336453312 176332587 /nfs/dbraw/zinc/33/25/87/176332587.db2.gz JMMOBBXRSYFFOS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1COCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336453312 176332588 /nfs/dbraw/zinc/33/25/88/176332588.db2.gz JMMOBBXRSYFFOS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1COCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336453312 176332591 /nfs/dbraw/zinc/33/25/91/176332591.db2.gz JMMOBBXRSYFFOS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2C)CC[N@@H+]1C ZINC000300803202 176341168 /nfs/dbraw/zinc/34/11/68/176341168.db2.gz FJYSJATXLFENEK-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2C)CC[N@H+]1C ZINC000300803202 176341170 /nfs/dbraw/zinc/34/11/70/176341170.db2.gz FJYSJATXLFENEK-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000300803212 176341762 /nfs/dbraw/zinc/34/17/62/176341762.db2.gz FJYSJATXLFENEK-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000300803212 176341765 /nfs/dbraw/zinc/34/17/65/176341765.db2.gz FJYSJATXLFENEK-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CSCC[N@H+]1CC1CC[NH2+]CC1 ZINC000069760986 176351432 /nfs/dbraw/zinc/35/14/32/176351432.db2.gz FHLDLVBBIKCMIF-SNVBAGLBSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1CSCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000069760974 176351708 /nfs/dbraw/zinc/35/17/08/176351708.db2.gz FHAXUIDBHUFNHA-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1F ZINC000122305890 176367780 /nfs/dbraw/zinc/36/77/80/176367780.db2.gz RTTHBULMCQWFEZ-MNOVXSKESA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](N(C)C)C2)CC[NH2+]1 ZINC000235381353 176369032 /nfs/dbraw/zinc/36/90/32/176369032.db2.gz BCMKPXANTOKINI-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H](CN2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000235381353 176369033 /nfs/dbraw/zinc/36/90/33/176369033.db2.gz BCMKPXANTOKINI-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000373913529 177046127 /nfs/dbraw/zinc/04/61/27/177046127.db2.gz UTMPBHYWJSKLIA-BNOWGMLFSA-N 2 1 231.343 1.636 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000373913529 177046129 /nfs/dbraw/zinc/04/61/29/177046129.db2.gz UTMPBHYWJSKLIA-BNOWGMLFSA-N 2 1 231.343 1.636 20 0 BDADMP C[C@H](c1cccnc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000373913529 177046130 /nfs/dbraw/zinc/04/61/30/177046130.db2.gz UTMPBHYWJSKLIA-BNOWGMLFSA-N 2 1 231.343 1.636 20 0 BDADMP C[C@H](c1cccnc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000373913529 177046132 /nfs/dbraw/zinc/04/61/32/177046132.db2.gz UTMPBHYWJSKLIA-BNOWGMLFSA-N 2 1 231.343 1.636 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336674177 177186267 /nfs/dbraw/zinc/18/62/67/177186267.db2.gz UKFKASZJLGEMRL-LOWVWBTDSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336674177 177186268 /nfs/dbraw/zinc/18/62/68/177186268.db2.gz UKFKASZJLGEMRL-LOWVWBTDSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1CC[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336674177 177186269 /nfs/dbraw/zinc/18/62/69/177186269.db2.gz UKFKASZJLGEMRL-LOWVWBTDSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1CC[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336674177 177186270 /nfs/dbraw/zinc/18/62/70/177186270.db2.gz UKFKASZJLGEMRL-LOWVWBTDSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000336781017 177234113 /nfs/dbraw/zinc/23/41/13/177234113.db2.gz SZLIKELGLHQLOS-NWDGAFQWSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccn(C)c1 ZINC000290335468 177235014 /nfs/dbraw/zinc/23/50/14/177235014.db2.gz FAUASLLDWNYZJZ-GXTWGEPZSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccn(C)c1 ZINC000290335468 177235016 /nfs/dbraw/zinc/23/50/16/177235016.db2.gz FAUASLLDWNYZJZ-GXTWGEPZSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccn(C)c1 ZINC000290335468 177235019 /nfs/dbraw/zinc/23/50/19/177235019.db2.gz FAUASLLDWNYZJZ-GXTWGEPZSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccn(C)c1 ZINC000290335468 177235020 /nfs/dbraw/zinc/23/50/20/177235020.db2.gz FAUASLLDWNYZJZ-GXTWGEPZSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336781218 177235132 /nfs/dbraw/zinc/23/51/32/177235132.db2.gz UCIYIYDWDSGYRQ-QWHCGFSZSA-N 3 1 227.396 1.258 20 0 BDADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336781218 177235133 /nfs/dbraw/zinc/23/51/33/177235133.db2.gz UCIYIYDWDSGYRQ-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCCC[NH+]1CCCC1 ZINC000336775795 177237644 /nfs/dbraw/zinc/23/76/44/177237644.db2.gz CSFAFHIOJIJHDV-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1CN(C)C[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000336775795 177237645 /nfs/dbraw/zinc/23/76/45/177237645.db2.gz CSFAFHIOJIJHDV-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000020593523 177246142 /nfs/dbraw/zinc/24/61/42/177246142.db2.gz MOPRGPJPFXJIDQ-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000051890111 177257654 /nfs/dbraw/zinc/25/76/54/177257654.db2.gz RHFYLIPQKYVUJS-WDEREUQCSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000051890111 177257657 /nfs/dbraw/zinc/25/76/57/177257657.db2.gz RHFYLIPQKYVUJS-WDEREUQCSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[NH+](Cc2nc(C(C)(C)[NH3+])no2)C[C@@H]1C ZINC000092085539 177270196 /nfs/dbraw/zinc/27/01/96/177270196.db2.gz FWPOCNBMAQHDQF-IUCAKERBSA-N 2 1 238.335 1.351 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062910919 177312585 /nfs/dbraw/zinc/31/25/85/177312585.db2.gz VBRYHUGSDUOQLK-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000019516123 177313643 /nfs/dbraw/zinc/31/36/43/177313643.db2.gz BZNDIWKLEZLXFA-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CCc2ccncc2)CC[NH2+]1 ZINC000235697434 177323473 /nfs/dbraw/zinc/32/34/73/177323473.db2.gz HANPSVVASNAOPF-ZFWWWQNUSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccncc1 ZINC000126714123 177324500 /nfs/dbraw/zinc/32/45/00/177324500.db2.gz AWEFBCCWZRHCNQ-JQWIXIFHSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccnc1 ZINC000122329415 177324733 /nfs/dbraw/zinc/32/47/33/177324733.db2.gz SDQQBWIEYVEAPQ-JQWIXIFHSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000235699691 177325082 /nfs/dbraw/zinc/32/50/82/177325082.db2.gz JLKIDSWYXTVNJX-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1C ZINC000132992990 177326519 /nfs/dbraw/zinc/32/65/19/177326519.db2.gz NKXJFJKKLJMUBG-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000132992990 177326520 /nfs/dbraw/zinc/32/65/20/177326520.db2.gz NKXJFJKKLJMUBG-JSGCOSHPSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000132992990 177326521 /nfs/dbraw/zinc/32/65/21/177326521.db2.gz NKXJFJKKLJMUBG-JSGCOSHPSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH+]1C ZINC000132992990 177326522 /nfs/dbraw/zinc/32/65/22/177326522.db2.gz NKXJFJKKLJMUBG-JSGCOSHPSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH+]1C ZINC000132992990 177326523 /nfs/dbraw/zinc/32/65/23/177326523.db2.gz NKXJFJKKLJMUBG-JSGCOSHPSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccnc1 ZINC000037718076 177332694 /nfs/dbraw/zinc/33/26/94/177332694.db2.gz FOAGROGKXPAVDW-VNHYZAJKSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCC(F)(F)F ZINC000122331651 177361550 /nfs/dbraw/zinc/36/15/50/177361550.db2.gz AVTKQDHDHHKQTF-DTWKUNHWSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOCC(F)(F)F ZINC000122331651 177361552 /nfs/dbraw/zinc/36/15/52/177361552.db2.gz AVTKQDHDHHKQTF-DTWKUNHWSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000309809391 177369161 /nfs/dbraw/zinc/36/91/61/177369161.db2.gz TVRMEVCSVAESAC-WCQYABFASA-N 2 1 224.348 1.405 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)CC2)CC[N@@H+]1C ZINC000129519910 177369260 /nfs/dbraw/zinc/36/92/60/177369260.db2.gz ZNAWAEVKCQSJIF-GMKTYKIGSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)CC2)CC[N@H+]1C ZINC000129519910 177369263 /nfs/dbraw/zinc/36/92/63/177369263.db2.gz ZNAWAEVKCQSJIF-GMKTYKIGSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2cccnc2)CC[N@H+]1C ZINC000130003275 177370400 /nfs/dbraw/zinc/37/04/00/177370400.db2.gz WYNUODVGAAGAPC-GXTWGEPZSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)c2nccn21 ZINC000345361998 177371248 /nfs/dbraw/zinc/37/12/48/177371248.db2.gz UWYZHSHMIJYBRR-VOAKCMCISA-N 2 1 248.374 1.819 20 0 BDADMP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC[NH3+] ZINC000082929061 177375411 /nfs/dbraw/zinc/37/54/11/177375411.db2.gz ZSSLQFNAJANEJG-AAEUAGOBSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC[NH3+] ZINC000082929061 177375412 /nfs/dbraw/zinc/37/54/12/177375412.db2.gz ZSSLQFNAJANEJG-AAEUAGOBSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]1C[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309833003 177382218 /nfs/dbraw/zinc/38/22/18/177382218.db2.gz ZCVQLBMGYGRBIP-UWVGGRQHSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]1OCC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1C ZINC000335663077 177398498 /nfs/dbraw/zinc/39/84/98/177398498.db2.gz LFPMDVKKJPZGNC-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000313339231 487640543 /nfs/dbraw/zinc/64/05/43/487640543.db2.gz BWIOLBFBDXUMMN-NEPJUHHUSA-N 2 1 228.380 1.718 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C/C=C/c1ccncc1 ZINC000486947173 225273248 /nfs/dbraw/zinc/27/32/48/225273248.db2.gz UGKSHVVMRMBJRZ-NSCUHMNNSA-N 2 1 242.326 1.890 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000492911313 226081056 /nfs/dbraw/zinc/08/10/56/226081056.db2.gz IRRZQBMKMLJRHC-OLZOCXBDSA-N 2 1 237.347 1.332 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494223724 226262284 /nfs/dbraw/zinc/26/22/84/226262284.db2.gz OHKALHSBJOLPTA-YPMHNXCESA-N 2 1 237.347 1.739 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cncc(F)c1 ZINC000494603663 226266872 /nfs/dbraw/zinc/26/68/72/226266872.db2.gz NCASKKPZENBERQ-YGRLFVJLSA-N 2 1 249.333 1.793 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000400358533 226341589 /nfs/dbraw/zinc/34/15/89/226341589.db2.gz BFVOKIRQKHPTGC-REWJHTLYSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400360918 226341856 /nfs/dbraw/zinc/34/18/56/226341856.db2.gz BWYITTKGILZKKP-OUCADQQQSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400541956 226346102 /nfs/dbraw/zinc/34/61/02/226346102.db2.gz KUKJULOLJIJHHQ-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1[NH2+]CCN(CCCc2c[nH+]cn2C)[C@H]1C ZINC000313863000 487652028 /nfs/dbraw/zinc/65/20/28/487652028.db2.gz ARIRLPWVTQHFOR-NEPJUHHUSA-N 2 1 236.363 1.035 20 0 BDADMP Cn1c[nH+]cc1CCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000314477796 487666737 /nfs/dbraw/zinc/66/67/37/487666737.db2.gz AXRRNYULULCRHF-GXTWGEPZSA-N 2 1 248.374 1.037 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000151185040 487689950 /nfs/dbraw/zinc/68/99/50/487689950.db2.gz SFIOXRLCQXVQNE-AVGNSLFASA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000151185040 487689952 /nfs/dbraw/zinc/68/99/52/487689952.db2.gz SFIOXRLCQXVQNE-AVGNSLFASA-N 2 1 228.380 1.466 20 0 BDADMP Cc1cncc(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000228618391 487690491 /nfs/dbraw/zinc/69/04/91/487690491.db2.gz LZCAQAOMTZUIQZ-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP Cc1cncc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000228618391 487690494 /nfs/dbraw/zinc/69/04/94/487690494.db2.gz LZCAQAOMTZUIQZ-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000228622785 487696461 /nfs/dbraw/zinc/69/64/61/487696461.db2.gz BVKWSKHIMZGGMB-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H](CO)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121030156 490073331 /nfs/dbraw/zinc/07/33/31/490073331.db2.gz RKGFBIOCJDOXAH-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP CCOCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000250406806 487731626 /nfs/dbraw/zinc/73/16/26/487731626.db2.gz UBAYVGZLTZYLPH-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP CCOCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000250406806 487731632 /nfs/dbraw/zinc/73/16/32/487731632.db2.gz UBAYVGZLTZYLPH-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000250614932 487736382 /nfs/dbraw/zinc/73/63/82/487736382.db2.gz BGOZHLWHYQUGRT-UONOGXRCSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000250614932 487736386 /nfs/dbraw/zinc/73/63/86/487736386.db2.gz BGOZHLWHYQUGRT-UONOGXRCSA-N 2 1 248.374 1.384 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000310482316 487742356 /nfs/dbraw/zinc/74/23/56/487742356.db2.gz DESQBSZSOUMMEX-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000310482316 487742362 /nfs/dbraw/zinc/74/23/62/487742362.db2.gz DESQBSZSOUMMEX-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000310482316 487742366 /nfs/dbraw/zinc/74/23/66/487742366.db2.gz DESQBSZSOUMMEX-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000310482316 487742370 /nfs/dbraw/zinc/74/23/70/487742370.db2.gz DESQBSZSOUMMEX-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@H]2CCC[C@H]21 ZINC000671749742 487765272 /nfs/dbraw/zinc/76/52/72/487765272.db2.gz NCSOZURWYMQWPA-FRRDWIJNSA-N 2 1 238.375 1.221 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251543515 487766952 /nfs/dbraw/zinc/76/69/52/487766952.db2.gz AVHDGDZCKLTXJA-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251543515 487766954 /nfs/dbraw/zinc/76/69/54/487766954.db2.gz AVHDGDZCKLTXJA-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000300367516 487779178 /nfs/dbraw/zinc/77/91/78/487779178.db2.gz KWTCGFSWGBFBBW-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000251676229 487788847 /nfs/dbraw/zinc/78/88/47/487788847.db2.gz OZEKCYFLCXXNNV-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251924423 487807985 /nfs/dbraw/zinc/80/79/85/487807985.db2.gz YRYLSENWZNCVFI-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000229097721 487817190 /nfs/dbraw/zinc/81/71/90/487817190.db2.gz ACXPUSPGEAGVEE-NEPJUHHUSA-N 2 1 234.343 1.750 20 0 BDADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000252715261 322943919 /nfs/dbraw/zinc/94/39/19/322943919.db2.gz VBRHIENIQIYFBW-XQHKEYJVSA-N 2 1 228.380 1.323 20 0 BDADMP CCC[C@H](C)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252688247 487828616 /nfs/dbraw/zinc/82/86/16/487828616.db2.gz NQOJJOWFZAHZOL-SDDRHHMPSA-N 2 1 214.353 1.471 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252688247 487828620 /nfs/dbraw/zinc/82/86/20/487828620.db2.gz NQOJJOWFZAHZOL-SDDRHHMPSA-N 2 1 214.353 1.471 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]2C)C1 ZINC000488355148 527818434 /nfs/dbraw/zinc/81/84/34/527818434.db2.gz RONBSJMKVOGAAF-AVGNSLFASA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488355148 527818436 /nfs/dbraw/zinc/81/84/36/527818436.db2.gz RONBSJMKVOGAAF-AVGNSLFASA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488355148 527818443 /nfs/dbraw/zinc/81/84/43/527818443.db2.gz RONBSJMKVOGAAF-AVGNSLFASA-N 2 1 210.365 1.916 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852743183 588698294 /nfs/dbraw/zinc/69/82/94/588698294.db2.gz ANSKDQFCLBISOF-SECBINFHSA-N 2 1 222.279 1.157 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852743183 588698295 /nfs/dbraw/zinc/69/82/95/588698295.db2.gz ANSKDQFCLBISOF-SECBINFHSA-N 2 1 222.279 1.157 20 0 BDADMP C[NH+](C)CC(C)(C)NCC[NH+]1CCCC1 ZINC000308631876 631445151 /nfs/dbraw/zinc/44/51/51/631445151.db2.gz OKHUWHDHNZBPED-UHFFFAOYSA-N 2 1 213.369 1.012 20 0 BDADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000666770902 487855008 /nfs/dbraw/zinc/85/50/08/487855008.db2.gz ZCCPGKNPHFHSCE-WXRRBKDZSA-N 3 1 225.380 1.236 20 0 BDADMP CCOCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000151033680 640276150 /nfs/dbraw/zinc/27/61/50/640276150.db2.gz GLOZHVKQLTYNHZ-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666826009 487868818 /nfs/dbraw/zinc/86/88/18/487868818.db2.gz HPMRTGLQFXDWIK-VIFPVBQESA-N 2 1 239.388 1.706 20 0 BDADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCCOC1 ZINC000681928661 487869614 /nfs/dbraw/zinc/86/96/14/487869614.db2.gz RGXCMOOPCHTDNT-OLZOCXBDSA-N 2 1 249.358 1.556 20 0 BDADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCCOC1 ZINC000681928661 487869616 /nfs/dbraw/zinc/86/96/16/487869616.db2.gz RGXCMOOPCHTDNT-OLZOCXBDSA-N 2 1 249.358 1.556 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000323803437 487873890 /nfs/dbraw/zinc/87/38/90/487873890.db2.gz HCWJLQHBQSMWHG-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(C[C@H]3C[NH2+]CCO3)c2C[C@@H]1C ZINC000386603930 487875253 /nfs/dbraw/zinc/87/52/53/487875253.db2.gz IPESMHNCIOCMSS-GRYCIOLGSA-N 2 1 249.358 1.242 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403790163 487887432 /nfs/dbraw/zinc/88/74/32/487887432.db2.gz YDYSLBONFGAKMB-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403790163 487887436 /nfs/dbraw/zinc/88/74/36/487887436.db2.gz YDYSLBONFGAKMB-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000309500394 487887775 /nfs/dbraw/zinc/88/77/75/487887775.db2.gz LKDRRDXDSHFSFM-VXGBXAGGSA-N 2 1 208.349 1.860 20 0 BDADMP CC1(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000309500394 487887784 /nfs/dbraw/zinc/88/77/84/487887784.db2.gz LKDRRDXDSHFSFM-VXGBXAGGSA-N 2 1 208.349 1.860 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cnc3ccccn23)CCC1 ZINC000666829616 487888494 /nfs/dbraw/zinc/88/84/94/487888494.db2.gz QNOOWQJFTBIEQW-UHFFFAOYSA-N 2 1 230.315 1.305 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403811192 487890055 /nfs/dbraw/zinc/89/00/55/487890055.db2.gz MLAVRWDJRJAZFQ-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403811192 487890060 /nfs/dbraw/zinc/89/00/60/487890060.db2.gz MLAVRWDJRJAZFQ-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccccc1C[N@@H+](C)CC1CN(C)C1 ZINC000668538269 487903240 /nfs/dbraw/zinc/90/32/40/487903240.db2.gz YKVANHCXSCOPNS-UHFFFAOYSA-N 2 1 234.343 1.689 20 0 BDADMP COc1ccccc1CN(C)CC1C[NH+](C)C1 ZINC000668538269 487903248 /nfs/dbraw/zinc/90/32/48/487903248.db2.gz YKVANHCXSCOPNS-UHFFFAOYSA-N 2 1 234.343 1.689 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C)C1 ZINC000666947807 487912452 /nfs/dbraw/zinc/91/24/52/487912452.db2.gz IRJSNLRGAOPMBI-VOAKCMCISA-N 2 1 243.370 1.006 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235128559 487923654 /nfs/dbraw/zinc/92/36/54/487923654.db2.gz MFCMCFIFFFSELA-NWDGAFQWSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000235347669 487944500 /nfs/dbraw/zinc/94/45/00/487944500.db2.gz XNKPZHFVVMPKKH-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC000247027403 323011984 /nfs/dbraw/zinc/01/19/84/323011984.db2.gz QNZUJADVSUATHW-QWRGUYRKSA-N 2 1 202.317 1.666 20 0 BDADMP C[C@@H]1C[C@@H](NCc2ccccc2CO)CC[N@H+]1C ZINC000151774812 323026853 /nfs/dbraw/zinc/02/68/53/323026853.db2.gz QUPNLMQCCJDXSY-DOMZBBRYSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1C ZINC000151774812 323026855 /nfs/dbraw/zinc/02/68/55/323026855.db2.gz QUPNLMQCCJDXSY-DOMZBBRYSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000151790453 323028005 /nfs/dbraw/zinc/02/80/05/323028005.db2.gz HXUSPCWQAHRVJE-WFASDCNBSA-N 2 1 248.370 1.609 20 0 BDADMP [NH3+]C1(C[NH2+]CC2(F)CC2)CCCCC1 ZINC000562744730 323029823 /nfs/dbraw/zinc/02/98/23/323029823.db2.gz LBIJWXJSYYIQAS-UHFFFAOYSA-N 2 1 200.301 1.740 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000569658367 323035752 /nfs/dbraw/zinc/03/57/52/323035752.db2.gz CEKJLMPJZFVHQD-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000569684655 323036918 /nfs/dbraw/zinc/03/69/18/323036918.db2.gz TZNAUJAKMPUAEJ-SNVBAGLBSA-N 2 1 224.352 1.379 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000570739983 323069144 /nfs/dbraw/zinc/06/91/44/323069144.db2.gz XIIGTSLJJOXZOQ-ZMLRMANQSA-N 2 1 236.363 1.509 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227917036 323077240 /nfs/dbraw/zinc/07/72/40/323077240.db2.gz RSYLJAPZWCWBLK-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227917036 323077241 /nfs/dbraw/zinc/07/72/41/323077241.db2.gz RSYLJAPZWCWBLK-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000563118479 323093785 /nfs/dbraw/zinc/09/37/85/323093785.db2.gz VVMDMGPOZOLGMC-MRVPVSSYSA-N 2 1 224.308 1.598 20 0 BDADMP CC(=O)Nc1ccccc1C[N@H+](C)CCC[NH3+] ZINC000563129528 323094339 /nfs/dbraw/zinc/09/43/39/323094339.db2.gz FZCBUYZHOICCIX-UHFFFAOYSA-N 2 1 235.331 1.426 20 0 BDADMP CC(=O)Nc1ccccc1C[N@@H+](C)CCC[NH3+] ZINC000563129528 323094340 /nfs/dbraw/zinc/09/43/40/323094340.db2.gz FZCBUYZHOICCIX-UHFFFAOYSA-N 2 1 235.331 1.426 20 0 BDADMP COc1cc(C)nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000563135478 323094641 /nfs/dbraw/zinc/09/46/41/323094641.db2.gz NLLSLCAPVVZKKW-ZJUUUORDSA-N 2 1 237.347 1.614 20 0 BDADMP C[NH2+]CCCNc1[nH+]ccc2c(C)cccc21 ZINC000563145198 323095390 /nfs/dbraw/zinc/09/53/90/323095390.db2.gz VQUIYQZXDYMOOS-UHFFFAOYSA-N 2 1 229.327 1.987 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cn1 ZINC000401662250 323106482 /nfs/dbraw/zinc/10/64/82/323106482.db2.gz YIWRFZOKFFXVPH-JTQLQIEISA-N 2 1 248.305 1.848 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000571295607 323140674 /nfs/dbraw/zinc/14/06/74/323140674.db2.gz ACLZGQFBDGCRMR-WCQYABFASA-N 2 1 228.380 1.766 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571532169 323147155 /nfs/dbraw/zinc/14/71/55/323147155.db2.gz WDUILWMNUVJIQN-GFCCVEGCSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC000414668582 323151169 /nfs/dbraw/zinc/15/11/69/323151169.db2.gz JILMNXHNECIXPP-RGDJUOJXSA-N 3 1 237.391 1.044 20 0 BDADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414945607 323152217 /nfs/dbraw/zinc/15/22/17/323152217.db2.gz QSAYXGUNVKUDRT-NEPJUHHUSA-N 2 1 236.359 1.953 20 0 BDADMP C[C@H](Cc1ccsc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000049181699 323158639 /nfs/dbraw/zinc/15/86/39/323158639.db2.gz WVKNHRIIIOBUSN-PWSUYJOCSA-N 2 1 242.388 1.191 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529545371 323183517 /nfs/dbraw/zinc/18/35/17/323183517.db2.gz VSHTZRKIGMSZEO-ONGXEEELSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529545371 323183518 /nfs/dbraw/zinc/18/35/18/323183518.db2.gz VSHTZRKIGMSZEO-ONGXEEELSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000328277922 323186665 /nfs/dbraw/zinc/18/66/65/323186665.db2.gz RFFNKVPHQKLESH-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC2CC=CC2)CC1 ZINC000527946184 323723900 /nfs/dbraw/zinc/72/39/00/323723900.db2.gz TVTXQPIYKIIVFN-UHFFFAOYSA-N 2 1 238.375 1.653 20 0 BDADMP Cc1nc(CNC[C@@H](C)[N@@H+](C)C2CC2)[nH]c1C ZINC000572498017 324134867 /nfs/dbraw/zinc/13/48/67/324134867.db2.gz GLLQFPIRLNFWAW-SECBINFHSA-N 2 1 236.363 1.599 20 0 BDADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000125591210 324644203 /nfs/dbraw/zinc/64/42/03/324644203.db2.gz JDCPSQJRWSUWLJ-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC000130692470 325080704 /nfs/dbraw/zinc/08/07/04/325080704.db2.gz NUEMAMGUBWDBDP-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC000130692470 325080707 /nfs/dbraw/zinc/08/07/07/325080707.db2.gz NUEMAMGUBWDBDP-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000134731058 325374120 /nfs/dbraw/zinc/37/41/20/325374120.db2.gz FFSVQIRFJPNWID-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP Nc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccn1 ZINC000566242557 326021561 /nfs/dbraw/zinc/02/15/61/326021561.db2.gz BDBSUKBHZQKUGY-CQSZACIVSA-N 2 1 246.358 1.070 20 0 BDADMP Nc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccn1 ZINC000566242557 326021563 /nfs/dbraw/zinc/02/15/63/326021563.db2.gz BDBSUKBHZQKUGY-CQSZACIVSA-N 2 1 246.358 1.070 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000566352130 326036333 /nfs/dbraw/zinc/03/63/33/326036333.db2.gz XGEMUSPXBHNWGT-KBPBESRZSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC000567471895 326199703 /nfs/dbraw/zinc/19/97/03/326199703.db2.gz VMQCCWVHSBZVJZ-UJPOAAIJSA-N 2 1 226.364 1.530 20 0 BDADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000568051607 326300587 /nfs/dbraw/zinc/30/05/87/326300587.db2.gz UEIUOIBCSCTIFQ-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccsc2C1 ZINC000568050225 326300719 /nfs/dbraw/zinc/30/07/19/326300719.db2.gz SQBPYCLPLMBEAU-GFCCVEGCSA-N 2 1 240.372 1.077 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccsc2C1 ZINC000568050225 326300722 /nfs/dbraw/zinc/30/07/22/326300722.db2.gz SQBPYCLPLMBEAU-GFCCVEGCSA-N 2 1 240.372 1.077 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248510 326334287 /nfs/dbraw/zinc/33/42/87/326334287.db2.gz SXMHPSRBMRXWRT-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248510 326334289 /nfs/dbraw/zinc/33/42/89/326334289.db2.gz SXMHPSRBMRXWRT-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)=C[C@H](C)C1 ZINC000568996934 326385509 /nfs/dbraw/zinc/38/55/09/326385509.db2.gz NWZZBGYWQXQSFX-AAEUAGOBSA-N 2 1 226.364 1.197 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)=C[C@H](C)C1 ZINC000568996934 326385511 /nfs/dbraw/zinc/38/55/11/326385511.db2.gz NWZZBGYWQXQSFX-AAEUAGOBSA-N 2 1 226.364 1.197 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000568996934 326385513 /nfs/dbraw/zinc/38/55/13/326385513.db2.gz NWZZBGYWQXQSFX-AAEUAGOBSA-N 2 1 226.364 1.197 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000568996934 326385515 /nfs/dbraw/zinc/38/55/15/326385515.db2.gz NWZZBGYWQXQSFX-AAEUAGOBSA-N 2 1 226.364 1.197 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H](C)O ZINC000569230351 326396149 /nfs/dbraw/zinc/39/61/49/326396149.db2.gz VRVQGKOUWNKIIV-MCIONIFRSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000235581460 487987093 /nfs/dbraw/zinc/98/70/93/487987093.db2.gz JXEBAUYMGZKLKM-NNYUYHANSA-N 2 1 212.337 1.223 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCOC)CC[C@@H]1[NH3+] ZINC000147417243 488015330 /nfs/dbraw/zinc/01/53/30/488015330.db2.gz AAOVAPLQARYOGN-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)CCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000165554371 488016966 /nfs/dbraw/zinc/01/69/66/488016966.db2.gz YBOZNZJMGUKOFS-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)CCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000165554371 488016972 /nfs/dbraw/zinc/01/69/72/488016972.db2.gz YBOZNZJMGUKOFS-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CCCCCN(CCO)Cc1cnc(C)n1C ZINC000667495611 488025781 /nfs/dbraw/zinc/02/57/81/488025781.db2.gz QBSPEBOVWIAUAU-UHFFFAOYSA-N 2 1 239.363 1.713 20 0 BDADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084480756 488053581 /nfs/dbraw/zinc/05/35/81/488053581.db2.gz HPENQJORPIRZDY-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667618917 488060546 /nfs/dbraw/zinc/06/05/46/488060546.db2.gz NFPJEFRJJQOFOC-SNVBAGLBSA-N 2 1 205.305 1.814 20 0 BDADMP CCn1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000656200622 488066661 /nfs/dbraw/zinc/06/66/61/488066661.db2.gz SEWKVMCTLLPDRD-WDEREUQCSA-N 2 1 222.336 1.263 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257651316 488074844 /nfs/dbraw/zinc/07/48/44/488074844.db2.gz DIZMWEKKWPSAKQ-STQMWFEESA-N 2 1 224.348 1.098 20 0 BDADMP Cc1cc(N2CCC3(CC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000257724859 488084591 /nfs/dbraw/zinc/08/45/91/488084591.db2.gz QEYYZPXAJDTVFC-UHFFFAOYSA-N 2 1 246.358 1.673 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000310222028 488107613 /nfs/dbraw/zinc/10/76/13/488107613.db2.gz GDIOVPLDUPKHDC-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000310222028 488107617 /nfs/dbraw/zinc/10/76/17/488107617.db2.gz GDIOVPLDUPKHDC-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC2(CCC2)C1 ZINC000310222028 488107621 /nfs/dbraw/zinc/10/76/21/488107621.db2.gz GDIOVPLDUPKHDC-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000683141240 488117737 /nfs/dbraw/zinc/11/77/37/488117737.db2.gz RZZKFDHUORWCPU-AWEZNQCLSA-N 2 1 242.407 1.813 20 0 BDADMP CCc1cc(N[C@H]2CC[NH2+][C@H](C)C2)nc(C)[nH+]1 ZINC000234173403 488129317 /nfs/dbraw/zinc/12/93/17/488129317.db2.gz IHXDRDGMHPCJCK-SKDRFNHKSA-N 2 1 234.347 1.900 20 0 BDADMP CO[C@H](C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C1CCC1 ZINC000662275999 487530175 /nfs/dbraw/zinc/53/01/75/487530175.db2.gz GSYODOPBLAFACE-OIMNJJJWSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H](O)C1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000668701083 488135315 /nfs/dbraw/zinc/13/53/15/488135315.db2.gz NXYWVDVZZBUNFN-SNVBAGLBSA-N 2 1 224.348 1.116 20 0 BDADMP CC[NH2+]Cc1ccccc1NC(=O)C[NH+](C)C ZINC000167892438 487475184 /nfs/dbraw/zinc/47/51/84/487475184.db2.gz PEHWDXFRLFRSBV-UHFFFAOYSA-N 2 1 235.331 1.296 20 0 BDADMP CCn1ccnc1CNc1cc(C)[nH+]c(C)n1 ZINC000295082104 487480744 /nfs/dbraw/zinc/48/07/44/487480744.db2.gz XXBSLMDDVHPFEN-UHFFFAOYSA-N 2 1 231.303 1.922 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000381079295 487494391 /nfs/dbraw/zinc/49/43/91/487494391.db2.gz QYDZFXGRVQLZRZ-OLZOCXBDSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000381079295 487494392 /nfs/dbraw/zinc/49/43/92/487494392.db2.gz QYDZFXGRVQLZRZ-OLZOCXBDSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381079295 487494393 /nfs/dbraw/zinc/49/43/93/487494393.db2.gz QYDZFXGRVQLZRZ-OLZOCXBDSA-N 2 1 228.380 1.562 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268850915 487503034 /nfs/dbraw/zinc/50/30/34/487503034.db2.gz YAVQHVJWVFWFMJ-UWVGGRQHSA-N 2 1 211.309 1.205 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662267799 487509816 /nfs/dbraw/zinc/50/98/16/487509816.db2.gz YTQJAHXYBKQJPR-UHTWSYAYSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000334439482 487515411 /nfs/dbraw/zinc/51/54/11/487515411.db2.gz KXVWZPONNOWDPE-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000334439482 487515414 /nfs/dbraw/zinc/51/54/14/487515414.db2.gz KXVWZPONNOWDPE-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662274178 487523239 /nfs/dbraw/zinc/52/32/39/487523239.db2.gz RQYZEJXCFPYXGW-RGDJUOJXSA-N 2 1 220.360 1.716 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000662274657 487523670 /nfs/dbraw/zinc/52/36/70/487523670.db2.gz ZGCYBKBQOMCOSJ-QWRGUYRKSA-N 2 1 248.317 1.614 20 0 BDADMP CC(C)C[N@@H+](CCC[NH3+])Cc1cnn(C)c1 ZINC000050539240 487534757 /nfs/dbraw/zinc/53/47/57/487534757.db2.gz BQVXMPCUWQYGON-UHFFFAOYSA-N 2 1 224.352 1.227 20 0 BDADMP Cc1nnc([C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH]1 ZINC000662273808 490044680 /nfs/dbraw/zinc/04/46/80/490044680.db2.gz PNSILRPHFWCOAW-JLLWLGSASA-N 2 1 249.362 1.106 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352313 487930143 /nfs/dbraw/zinc/93/01/43/487930143.db2.gz BGZQBVIYZCRZIM-ZFWWWQNUSA-N 2 1 245.370 1.830 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000167125914 488140796 /nfs/dbraw/zinc/14/07/96/488140796.db2.gz SIUSUDKEISOSDJ-SDDRHHMPSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1ccnn1C ZINC000230745516 488150357 /nfs/dbraw/zinc/15/03/57/488150357.db2.gz SPAWECSDJGCLLO-DGCLKSJQSA-N 2 1 236.363 1.164 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1ccnn1C ZINC000230745516 488150361 /nfs/dbraw/zinc/15/03/61/488150361.db2.gz SPAWECSDJGCLLO-DGCLKSJQSA-N 2 1 236.363 1.164 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657878758 488159647 /nfs/dbraw/zinc/15/96/47/488159647.db2.gz ZPUCHJRIRRQVDS-QWHCGFSZSA-N 2 1 248.374 1.649 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657878758 488159651 /nfs/dbraw/zinc/15/96/51/488159651.db2.gz ZPUCHJRIRRQVDS-QWHCGFSZSA-N 2 1 248.374 1.649 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc3n2CCC3)CC[C@@H]1O ZINC000668011438 488184521 /nfs/dbraw/zinc/18/45/21/488184521.db2.gz BBJDMYOPGSENOX-JQWIXIFHSA-N 2 1 235.331 1.032 20 0 BDADMP CC[C@@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000647336113 488192468 /nfs/dbraw/zinc/19/24/68/488192468.db2.gz MPDGYYHVIGYHAJ-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)Cc2cn[nH]c2)C[C@@H]1C ZINC000678277138 488235619 /nfs/dbraw/zinc/23/56/19/488235619.db2.gz RLTIHDYIUBTOIH-AAEUAGOBSA-N 2 1 236.363 1.714 20 0 BDADMP Fc1ccc(/C=C/C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343598 488243203 /nfs/dbraw/zinc/24/32/03/488243203.db2.gz WFTBXAJKRANUFW-FAVCQXFFSA-N 2 1 246.329 1.990 20 0 BDADMP CCC[N@@H+](C)CC(=O)N(C)CCCC[NH+](C)C ZINC000673840297 488309430 /nfs/dbraw/zinc/30/94/30/488309430.db2.gz IKKCNRBPMZNTMX-UHFFFAOYSA-N 2 1 243.395 1.128 20 0 BDADMP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000679127598 488311141 /nfs/dbraw/zinc/31/11/41/488311141.db2.gz TUUREIWYIWWYTA-ZIAGYGMSSA-N 2 1 244.338 1.411 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000679334037 488341214 /nfs/dbraw/zinc/34/12/14/488341214.db2.gz FKXUSOXDXXGLEL-WCFLWFBJSA-N 2 1 248.374 1.996 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679334037 488341217 /nfs/dbraw/zinc/34/12/17/488341217.db2.gz FKXUSOXDXXGLEL-WCFLWFBJSA-N 2 1 248.374 1.996 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000665283033 490096211 /nfs/dbraw/zinc/09/62/11/490096211.db2.gz GLDNGFHPKLHVFB-GMTAPVOTSA-N 3 1 201.358 1.075 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335516681 490394696 /nfs/dbraw/zinc/39/46/96/490394696.db2.gz RZHINHCZPVQNDU-RYSNWHEDSA-N 3 1 239.407 1.447 20 0 BDADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CNCCO2)cc1 ZINC000125385922 490430557 /nfs/dbraw/zinc/43/05/57/490430557.db2.gz VUKVCDXGOOLFHU-ZFWWWQNUSA-N 2 1 248.370 1.976 20 0 BDADMP Cc1ccc([C@H](C)N(C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000125385922 490430563 /nfs/dbraw/zinc/43/05/63/490430563.db2.gz VUKVCDXGOOLFHU-ZFWWWQNUSA-N 2 1 248.370 1.976 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCS[C@@H]2C)CC1 ZINC000220512979 490604343 /nfs/dbraw/zinc/60/43/43/490604343.db2.gz XKTKUAUOLUJJGF-PWSUYJOCSA-N 2 1 228.405 1.954 20 0 BDADMP CCO[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000220114032 491133204 /nfs/dbraw/zinc/13/32/04/491133204.db2.gz OBRHDRDNZWZBNG-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000220114032 491133205 /nfs/dbraw/zinc/13/32/05/491133205.db2.gz OBRHDRDNZWZBNG-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CCCCO ZINC000309381690 491147687 /nfs/dbraw/zinc/14/76/87/491147687.db2.gz SAUGKNWZFLLQSD-CYBMUJFWSA-N 2 1 230.396 1.857 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001172768640 974937387 /nfs/dbraw/zinc/93/73/87/974937387.db2.gz VRLRSDLNGORVKN-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001172768640 974937390 /nfs/dbraw/zinc/93/73/90/974937390.db2.gz VRLRSDLNGORVKN-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@H](NCCC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400744808 533841741 /nfs/dbraw/zinc/84/17/41/533841741.db2.gz UHDOIBFJXULVMU-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]CCc1ccccn1)[C@H]1CCC[NH2+]1 ZINC000400371954 533875634 /nfs/dbraw/zinc/87/56/34/533875634.db2.gz HFYZPEGWQUQOJE-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP CC(C)CNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041644 582839075 /nfs/dbraw/zinc/83/90/75/582839075.db2.gz UMCYBJZIDLXCTB-GFCCVEGCSA-N 2 1 240.395 1.488 20 0 BDADMP COC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000261535022 536522711 /nfs/dbraw/zinc/52/27/11/536522711.db2.gz VTJRIAQGNDUQJL-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000471782154 528964578 /nfs/dbraw/zinc/96/45/78/528964578.db2.gz RHZHTGSMXWIDCQ-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400767982 529154649 /nfs/dbraw/zinc/15/46/49/529154649.db2.gz ZOEIHLXNVLFOSA-SDDRHHMPSA-N 2 1 241.379 1.021 20 0 BDADMP CC[C@H](C)NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400767986 529154816 /nfs/dbraw/zinc/15/48/16/529154816.db2.gz ZOEIHLXNVLFOSA-TUAOUCFPSA-N 2 1 241.379 1.021 20 0 BDADMP CC[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000469463101 529317378 /nfs/dbraw/zinc/31/73/78/529317378.db2.gz QSUKYNCTVXFONZ-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000469463100 529326928 /nfs/dbraw/zinc/32/69/28/529326928.db2.gz QSUKYNCTVXFONZ-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178977383 535210342 /nfs/dbraw/zinc/21/03/42/535210342.db2.gz IFOKHXCCNUHWAH-AWEZNQCLSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000261937002 535236824 /nfs/dbraw/zinc/23/68/24/535236824.db2.gz MFDGBZADELVYAV-ZIAGYGMSSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000261716670 535237840 /nfs/dbraw/zinc/23/78/40/535237840.db2.gz FFDPNGIOEKEVCC-KGLIPLIRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1CCCO1 ZINC000171940803 535503086 /nfs/dbraw/zinc/50/30/86/535503086.db2.gz PTXFKAQAMJMEEW-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1CCCO1 ZINC000171940803 535503087 /nfs/dbraw/zinc/50/30/87/535503087.db2.gz PTXFKAQAMJMEEW-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000261534965 535503336 /nfs/dbraw/zinc/50/33/36/535503336.db2.gz UXIVBGHEQRTYRI-SDDRHHMPSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261542841 535853829 /nfs/dbraw/zinc/85/38/29/535853829.db2.gz QQAGEOOBHRBZGQ-RFQIPJPRSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+](C)CC[NH2+]C)CCO1 ZINC000261553954 535895301 /nfs/dbraw/zinc/89/53/01/535895301.db2.gz SYFLJJGUIAPESF-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+](C)CC[NH2+]C)CCO1 ZINC000261553954 535895306 /nfs/dbraw/zinc/89/53/06/535895306.db2.gz SYFLJJGUIAPESF-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP CCn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000261989288 536050503 /nfs/dbraw/zinc/05/05/03/536050503.db2.gz KCHDQVGRGHCOIZ-UHFFFAOYSA-N 2 1 248.374 1.479 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000163820605 536057031 /nfs/dbraw/zinc/05/70/31/536057031.db2.gz DWCASYPNOGTYRM-WCQYABFASA-N 2 1 236.363 1.320 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000163820605 536057036 /nfs/dbraw/zinc/05/70/36/536057036.db2.gz DWCASYPNOGTYRM-WCQYABFASA-N 2 1 236.363 1.320 20 0 BDADMP CCc1nc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C)[nH+]1 ZINC000261575059 536125557 /nfs/dbraw/zinc/12/55/57/536125557.db2.gz MWXZSPZCWUTRNU-NWDGAFQWSA-N 2 1 246.358 1.536 20 0 BDADMP CCc1nc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)[nH+]1 ZINC000261575062 536125750 /nfs/dbraw/zinc/12/57/50/536125750.db2.gz MWXZSPZCWUTRNU-VXGBXAGGSA-N 2 1 246.358 1.536 20 0 BDADMP C[NH+]1CCC([NH2+]CC(C)(C)CCO)CC1 ZINC000226329611 536343822 /nfs/dbraw/zinc/34/38/22/536343822.db2.gz SLTCLLDBJCIIOL-UHFFFAOYSA-N 2 1 214.353 1.079 20 0 BDADMP C[NH+]1CCC([NH2+]CCOCC2CC2)CC1 ZINC000226320505 536344105 /nfs/dbraw/zinc/34/41/05/536344105.db2.gz DYNWBZAFPGOAPY-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH+]1CCC(N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000084215962 536344374 /nfs/dbraw/zinc/34/43/74/536344374.db2.gz IAONFDYUWWRLCP-WCQYABFASA-N 3 1 225.380 1.188 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](F)C2)CC1 ZINC000335372751 536344626 /nfs/dbraw/zinc/34/46/26/536344626.db2.gz PAFKTPAUGGAYFL-CMPLNLGQSA-N 2 1 214.328 1.951 20 0 BDADMP CN1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000335019880 536485423 /nfs/dbraw/zinc/48/54/23/536485423.db2.gz WNFVFHGSBPLWBU-OCCSQVGLSA-N 2 1 245.370 1.247 20 0 BDADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000335644285 536948648 /nfs/dbraw/zinc/94/86/48/536948648.db2.gz RRURDIVHGDGFRY-STQMWFEESA-N 2 1 246.354 1.504 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000853023508 588716740 /nfs/dbraw/zinc/71/67/40/588716740.db2.gz ZLVOGPLFGFRQJP-NXEZZACHSA-N 2 1 246.445 1.852 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C=CCC1)c1c[nH+]ccc1N ZINC000854221660 588780160 /nfs/dbraw/zinc/78/01/60/588780160.db2.gz RAUWJKGFANSLTM-NXEZZACHSA-N 2 1 203.289 1.863 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000113370873 588838256 /nfs/dbraw/zinc/83/82/56/588838256.db2.gz LXRAYOBCOLJKFC-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(N)[nH+]1 ZINC000113552493 588843526 /nfs/dbraw/zinc/84/35/26/588843526.db2.gz BSCODHDUXJYIDO-JTQLQIEISA-N 2 1 235.335 1.121 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCOCC2)CC1 ZINC000891721314 582714139 /nfs/dbraw/zinc/71/41/39/582714139.db2.gz WYMUMXMJMFGEBD-UHFFFAOYSA-N 2 1 212.337 1.051 20 0 BDADMP Cc1cc(N)nc(N[C@@H](C)C[NH+]2CCCCC2)[nH+]1 ZINC000891792275 582722489 /nfs/dbraw/zinc/72/24/89/582722489.db2.gz DXRWCHNMGFCSSD-NSHDSACASA-N 2 1 249.362 1.654 20 0 BDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC ZINC000848998842 582821060 /nfs/dbraw/zinc/82/10/60/582821060.db2.gz BQUOHRUJQMQHNX-GFCCVEGCSA-N 2 1 240.395 1.775 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(F)c(C)c1 ZINC000892757414 582976458 /nfs/dbraw/zinc/97/64/58/582976458.db2.gz IUXMKAYYZAYAOR-UHFFFAOYSA-N 2 1 248.305 1.824 20 0 BDADMP CCn1cc(C[NH2+][C@H](C)CC[NH+](C)C)c(C)n1 ZINC000892764281 582977756 /nfs/dbraw/zinc/97/77/56/582977756.db2.gz WDNKUSSSTCHKNM-LLVKDONJSA-N 2 1 238.379 1.641 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[S@@](=O)CC)[C@@H](C)C1 ZINC000223451027 583180306 /nfs/dbraw/zinc/18/03/06/583180306.db2.gz JZSUWLASCDORPU-MKBNYLNASA-N 2 1 246.420 1.075 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[S@@](=O)CC)[C@@H](C)C1 ZINC000223451027 583180309 /nfs/dbraw/zinc/18/03/09/583180309.db2.gz JZSUWLASCDORPU-MKBNYLNASA-N 2 1 246.420 1.075 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc[nH]1 ZINC000894164067 583322744 /nfs/dbraw/zinc/32/27/44/583322744.db2.gz AVPVKTGQFMBMLC-JTQLQIEISA-N 2 1 233.319 1.341 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCO3)CC[C@H]21 ZINC000877742085 583345736 /nfs/dbraw/zinc/34/57/36/583345736.db2.gz OKONTYMDENYIAI-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCCO3)CC[C@H]21 ZINC000877742085 583345738 /nfs/dbraw/zinc/34/57/38/583345738.db2.gz OKONTYMDENYIAI-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)CC[C@H]21 ZINC000877742085 583345740 /nfs/dbraw/zinc/34/57/40/583345740.db2.gz OKONTYMDENYIAI-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000894398604 583448749 /nfs/dbraw/zinc/44/87/49/583448749.db2.gz VPHYIGJKGVAPKZ-BETUJISGSA-N 2 1 226.364 1.437 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000894568717 583484916 /nfs/dbraw/zinc/48/49/16/583484916.db2.gz NMFGQZXOSUANIK-AWEZNQCLSA-N 2 1 248.374 1.472 20 0 BDADMP C[NH+]1CCC(C[N@@H+](C2CC2)C2COC2)CC1 ZINC000894658669 583500068 /nfs/dbraw/zinc/50/00/68/583500068.db2.gz JHJQOMCQGDSBMR-UHFFFAOYSA-N 2 1 224.348 1.191 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnccn1 ZINC000894984871 583564561 /nfs/dbraw/zinc/56/45/61/583564561.db2.gz MPDDKDDRUVQEGF-STQMWFEESA-N 2 1 248.374 1.859 20 0 BDADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000895154288 583607289 /nfs/dbraw/zinc/60/72/89/583607289.db2.gz WISMQPFKRZDCAU-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000895301119 583642659 /nfs/dbraw/zinc/64/26/59/583642659.db2.gz ZKFWWMIWIILHGV-TUAOUCFPSA-N 2 1 225.336 1.224 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000895301119 583642661 /nfs/dbraw/zinc/64/26/61/583642661.db2.gz ZKFWWMIWIILHGV-TUAOUCFPSA-N 2 1 225.336 1.224 20 0 BDADMP C[C@@H]1[C@H](Nc2cc(NC3CC3)ncn2)CC[N@H+]1C ZINC000895736250 583718193 /nfs/dbraw/zinc/71/81/93/583718193.db2.gz IRTFUIIBNHLDBL-MWLCHTKSSA-N 2 1 247.346 1.555 20 0 BDADMP C[N@@H+]1CC[C@H]1CNc1cc(N)[nH+]cc1Cl ZINC000895767283 583720485 /nfs/dbraw/zinc/72/04/85/583720485.db2.gz KDQQANDDWYZTMR-ZETCQYMHSA-N 2 1 226.711 1.433 20 0 BDADMP C[N@H+]1CC[C@H]1CNc1cc(N)[nH+]cc1Cl ZINC000895767283 583720487 /nfs/dbraw/zinc/72/04/87/583720487.db2.gz KDQQANDDWYZTMR-ZETCQYMHSA-N 2 1 226.711 1.433 20 0 BDADMP Cc1nc(C)c(C)c(NC[C@H]2CCN2C)n1 ZINC000895771978 583724740 /nfs/dbraw/zinc/72/47/40/583724740.db2.gz VLRNEAVELRYWQN-LLVKDONJSA-N 2 1 220.320 1.518 20 0 BDADMP CN(CCCF)Cc1ncc(C[NH+](C)C)s1 ZINC000895896191 583743538 /nfs/dbraw/zinc/74/35/38/583743538.db2.gz QHOCRLLHFAJFCK-UHFFFAOYSA-N 2 1 245.367 1.996 20 0 BDADMP Cc1cc(F)ncc1CN[C@H]1CC[N@H+](C)[C@H]1C ZINC000896554567 583811756 /nfs/dbraw/zinc/81/17/56/583811756.db2.gz VQXFAKGIRODOCK-JQWIXIFHSA-N 2 1 237.322 1.711 20 0 BDADMP Cc1cc(F)ncc1CN[C@H]1CC[N@@H+](C)[C@H]1C ZINC000896554567 583811757 /nfs/dbraw/zinc/81/17/57/583811757.db2.gz VQXFAKGIRODOCK-JQWIXIFHSA-N 2 1 237.322 1.711 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000858127596 588934604 /nfs/dbraw/zinc/93/46/04/588934604.db2.gz JRVKPMQUPFJKBG-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127596 588934605 /nfs/dbraw/zinc/93/46/05/588934605.db2.gz JRVKPMQUPFJKBG-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127596 588934608 /nfs/dbraw/zinc/93/46/08/588934608.db2.gz JRVKPMQUPFJKBG-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP CN1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127596 588934610 /nfs/dbraw/zinc/93/46/10/588934610.db2.gz JRVKPMQUPFJKBG-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127596 588934611 /nfs/dbraw/zinc/93/46/11/588934611.db2.gz JRVKPMQUPFJKBG-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@@H]1SC)C[NH+](C)C ZINC000896880101 583844843 /nfs/dbraw/zinc/84/48/43/583844843.db2.gz NJMCCMNNCMNRJL-WOPDTQHZSA-N 2 1 246.420 1.437 20 0 BDADMP Cc1cc(N2CCN(C)CC[N@H+](C)CC2)cc[nH+]1 ZINC000897094339 583879443 /nfs/dbraw/zinc/87/94/43/583879443.db2.gz JDGWBQGIXTXVMO-UHFFFAOYSA-N 2 1 248.374 1.074 20 0 BDADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864456269 584006057 /nfs/dbraw/zinc/00/60/57/584006057.db2.gz HKLINPXQDOGCFG-UTUOFQBUSA-N 2 1 238.379 1.241 20 0 BDADMP CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C)[NH+](C)C)C1 ZINC000864456423 584006109 /nfs/dbraw/zinc/00/61/09/584006109.db2.gz IMTZMPYQZNSYGF-MNOVXSKESA-N 2 1 226.368 1.193 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]c(CO)c1 ZINC000858386281 588950313 /nfs/dbraw/zinc/95/03/13/588950313.db2.gz ITTGHKXRSBKUMT-NSHDSACASA-N 2 1 237.347 1.716 20 0 BDADMP Cc1[nH+]ccn1CCCNc1cc[nH+]c(CO)c1 ZINC000858422218 588953167 /nfs/dbraw/zinc/95/31/67/588953167.db2.gz RKVLTVWORGGMSC-UHFFFAOYSA-N 2 1 246.314 1.581 20 0 BDADMP O[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000898203182 584090571 /nfs/dbraw/zinc/09/05/71/584090571.db2.gz GJNTYSFQVSPHLQ-MELADBBJSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CC2)CC1(C)C ZINC000898199994 584098946 /nfs/dbraw/zinc/09/89/46/584098946.db2.gz TWVCFDVNMKUHMQ-QWHCGFSZSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c(CO)c2)C[C@@H]1C ZINC000858462957 588957216 /nfs/dbraw/zinc/95/72/16/588957216.db2.gz ZHMSPMOFEILBCM-RYUDHWBXSA-N 2 1 249.358 1.493 20 0 BDADMP C([N@@H+]1CC[C@@H]2CSC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000873222086 584127334 /nfs/dbraw/zinc/12/73/34/584127334.db2.gz YYCRTFLWHYQTOZ-QZQSVVMZSA-N 2 1 238.400 1.423 20 0 BDADMP C([N@H+]1CC[C@@H]2CSC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000873222086 584127336 /nfs/dbraw/zinc/12/73/36/584127336.db2.gz YYCRTFLWHYQTOZ-QZQSVVMZSA-N 2 1 238.400 1.423 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000858502676 588961136 /nfs/dbraw/zinc/96/11/36/588961136.db2.gz NNVNPFQVDVPQKQ-YUSLTOFOSA-N 2 1 238.375 1.769 20 0 BDADMP CC[C@H](C)C[C@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000900008744 584264978 /nfs/dbraw/zinc/26/49/78/584264978.db2.gz AFPTZHBNPLHVFD-GUBZILKMSA-N 2 1 240.351 1.656 20 0 BDADMP O=C(NCc1c[nH]cn1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900780814 584350320 /nfs/dbraw/zinc/35/03/20/584350320.db2.gz NVWPGJSHAQOXED-NEPJUHHUSA-N 2 1 248.330 1.043 20 0 BDADMP O=C(NCc1cnc[nH]1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900780814 584350322 /nfs/dbraw/zinc/35/03/22/584350322.db2.gz NVWPGJSHAQOXED-NEPJUHHUSA-N 2 1 248.330 1.043 20 0 BDADMP O=C(NCc1cnc[nH]1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900780814 584350325 /nfs/dbraw/zinc/35/03/25/584350325.db2.gz NVWPGJSHAQOXED-NEPJUHHUSA-N 2 1 248.330 1.043 20 0 BDADMP COCC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902407570 584575116 /nfs/dbraw/zinc/57/51/16/584575116.db2.gz QVQAAKHUAJGMOG-GHMZBOCLSA-N 2 1 212.337 1.273 20 0 BDADMP CCOC(=O)C1CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902404982 584588781 /nfs/dbraw/zinc/58/87/81/584588781.db2.gz HWNXQBLUXHWHDU-UHFFFAOYSA-N 2 1 240.347 1.189 20 0 BDADMP Cc1nc2c(s1)[C@H]([NH2+]CC1([NH3+])CC1)CCC2 ZINC000902416318 584590661 /nfs/dbraw/zinc/59/06/61/584590661.db2.gz MWJSMPRDHLWIRV-SECBINFHSA-N 2 1 237.372 1.910 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000902415829 584590721 /nfs/dbraw/zinc/59/07/21/584590721.db2.gz KMVUOMLUWHLUQU-LBPRGKRZSA-N 2 1 220.291 1.894 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437977 584596691 /nfs/dbraw/zinc/59/66/91/584596691.db2.gz LHGJZLRTGTVJGQ-QPKOPYBWSA-N 2 1 245.370 1.151 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H](C)C1 ZINC000902472935 584601169 /nfs/dbraw/zinc/60/11/69/584601169.db2.gz LZPMZDLMKOMZNI-XGFWRYKXSA-N 2 1 237.391 1.199 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000902473953 584602024 /nfs/dbraw/zinc/60/20/24/584602024.db2.gz AWJMYYYNLJTCQN-HTOAHKCRSA-N 2 1 238.375 1.673 20 0 BDADMP C[C@@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC1(C)C ZINC000902447275 584605184 /nfs/dbraw/zinc/60/51/84/584605184.db2.gz XUOPLVYDYIWIKS-WDEREUQCSA-N 2 1 213.369 1.092 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000902448958 584605307 /nfs/dbraw/zinc/60/53/07/584605307.db2.gz KCZQUMPZARESTF-AGIUHOORSA-N 2 1 240.391 1.778 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]2CCC[C@@H]21 ZINC000902469194 584615392 /nfs/dbraw/zinc/61/53/92/584615392.db2.gz YXFWHCNSIRCEOQ-DBWOOVFOSA-N 2 1 249.402 1.342 20 0 BDADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470462 584616510 /nfs/dbraw/zinc/61/65/10/584616510.db2.gz YAXMFKJTXJEFIA-UMSGYPCISA-N 2 1 236.359 1.428 20 0 BDADMP Nc1nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000902503502 584620959 /nfs/dbraw/zinc/62/09/59/584620959.db2.gz YFNWSBFQWNUHNZ-JGVFFNPUSA-N 2 1 226.349 1.085 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482996 584623808 /nfs/dbraw/zinc/62/38/08/584623808.db2.gz ONEYNNYPFQHRFV-UTUOFQBUSA-N 2 1 214.353 1.532 20 0 BDADMP Cc1ncccc1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000902514904 584629539 /nfs/dbraw/zinc/62/95/39/584629539.db2.gz VQUYZAAUIJMFDW-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP CCn1cnc(CN[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000902569036 584636203 /nfs/dbraw/zinc/63/62/03/584636203.db2.gz GONYARFELUGSIO-LBPRGKRZSA-N 2 1 238.379 1.721 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902795648 584674053 /nfs/dbraw/zinc/67/40/53/584674053.db2.gz HVDCQSJKDNTIAN-YVECIDJPSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902953234 584704562 /nfs/dbraw/zinc/70/45/62/584704562.db2.gz BIPQVDZOTIZXQU-OBJOEFQTSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902953234 584704563 /nfs/dbraw/zinc/70/45/63/584704563.db2.gz BIPQVDZOTIZXQU-OBJOEFQTSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902953235 584704889 /nfs/dbraw/zinc/70/48/89/584704889.db2.gz BIPQVDZOTIZXQU-XJFOESAGSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902953235 584704891 /nfs/dbraw/zinc/70/48/91/584704891.db2.gz BIPQVDZOTIZXQU-XJFOESAGSA-N 2 1 238.375 1.221 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1OC)C[NH+](C)C ZINC000903224273 584738010 /nfs/dbraw/zinc/73/80/10/584738010.db2.gz SYZCZXFLWXNKAY-UPJWGTAASA-N 2 1 244.379 1.110 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(CCO)C1 ZINC000903332692 584754787 /nfs/dbraw/zinc/75/47/87/584754787.db2.gz KRECMBURTZXYDF-HPCMXSDISA-N 2 1 238.375 1.077 20 0 BDADMP COC[C@H](C[NH+]1CCC2(CC[NH2+]2)CC1)C(C)C ZINC000903459395 584765671 /nfs/dbraw/zinc/76/56/71/584765671.db2.gz IFYQQYHNFUAHLT-ZDUSSCGKSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903459197 584766023 /nfs/dbraw/zinc/76/60/23/584766023.db2.gz DQYZNSIPRHGITP-POQQGIQPSA-N 3 1 239.407 1.419 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000903461187 584766445 /nfs/dbraw/zinc/76/64/45/584766445.db2.gz OWEMMNFNNWDYCU-MQYQWHSLSA-N 3 1 239.407 1.563 20 0 BDADMP C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)OC1CC1 ZINC000903453991 584772668 /nfs/dbraw/zinc/77/26/68/584772668.db2.gz QTEUSEYRRLFQQM-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP CCN1C[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000903455339 584773798 /nfs/dbraw/zinc/77/37/98/584773798.db2.gz UPTDOFRXUZZLCS-SYQHCUMBSA-N 2 1 239.407 1.528 20 0 BDADMP [NH3+]C[C@H]([NH2+]CCOC1CC1)C1CCCCC1 ZINC000903455307 584773800 /nfs/dbraw/zinc/77/38/00/584773800.db2.gz STAOMAOAWLXWPC-ZDUSSCGKSA-N 2 1 226.364 1.663 20 0 BDADMP CCN1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000903455337 584774289 /nfs/dbraw/zinc/77/42/89/584774289.db2.gz UPTDOFRXUZZLCS-FQUUOJAGSA-N 2 1 239.407 1.528 20 0 BDADMP CCn1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000903471465 584775190 /nfs/dbraw/zinc/77/51/90/584775190.db2.gz JLUCAXFHASMABD-ZDUSSCGKSA-N 2 1 248.374 1.320 20 0 BDADMP C(C[C@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000903471863 584775324 /nfs/dbraw/zinc/77/53/24/584775324.db2.gz VDYKPXCIRLTZDK-OLZOCXBDSA-N 2 1 237.391 1.250 20 0 BDADMP Cc1cc(C)n(CC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000903470916 584775399 /nfs/dbraw/zinc/77/53/99/584775399.db2.gz PPTVFGITZYGIMK-ZDUSSCGKSA-N 2 1 248.374 1.374 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000903472908 584776148 /nfs/dbraw/zinc/77/61/48/584776148.db2.gz WSNAYMLWFZDKJQ-OLZOCXBDSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)O1 ZINC000903481577 584777899 /nfs/dbraw/zinc/77/78/99/584777899.db2.gz GVOZRDUGCRJCDQ-JHJVBQTASA-N 2 1 238.375 1.818 20 0 BDADMP Cn1c[nH+]cc1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000903481543 584778320 /nfs/dbraw/zinc/77/83/20/584778320.db2.gz FPIVZODFNMEHHX-ZDUSSCGKSA-N 2 1 248.374 1.227 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903482160 584778931 /nfs/dbraw/zinc/77/89/31/584778931.db2.gz YPEFWNZPSVJSTA-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903482160 584778932 /nfs/dbraw/zinc/77/89/32/584778932.db2.gz YPEFWNZPSVJSTA-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000903482262 584779000 /nfs/dbraw/zinc/77/90/00/584779000.db2.gz ZZAGENQZFAOHGW-CHWSQXEVSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1CC[NH3+] ZINC000903499329 584779996 /nfs/dbraw/zinc/77/99/96/584779996.db2.gz RGMYHWLZVJEYLH-MQYQWHSLSA-N 2 1 238.375 1.330 20 0 BDADMP [NH3+]CCC[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903490690 584780823 /nfs/dbraw/zinc/78/08/23/584780823.db2.gz DJHOXEHKGUNRRJ-CABCVRRESA-N 2 1 246.354 1.235 20 0 BDADMP CC(C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903513255 584781409 /nfs/dbraw/zinc/78/14/09/584781409.db2.gz ZXMXPEHTFMGOKU-OKILXGFUSA-N 2 1 237.391 1.295 20 0 BDADMP CC(C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903513255 584781411 /nfs/dbraw/zinc/78/14/11/584781411.db2.gz ZXMXPEHTFMGOKU-OKILXGFUSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC000903563789 584781980 /nfs/dbraw/zinc/78/19/80/584781980.db2.gz LHKIKUVJFQKIFW-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CC1([NH3+])CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903745364 584794328 /nfs/dbraw/zinc/79/43/28/584794328.db2.gz DZXCCFBAPTWEPO-GFCCVEGCSA-N 3 1 225.380 1.189 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767925 584798141 /nfs/dbraw/zinc/79/81/41/584798141.db2.gz JNDHCOJBXVXHGQ-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCc1cnccn1)C[C@@H]1CCCC[NH2+]C1 ZINC000903755176 584798729 /nfs/dbraw/zinc/79/87/29/584798729.db2.gz BXJBGNSCFDGBJW-CYBMUJFWSA-N 2 1 248.374 1.341 20 0 BDADMP C[N@@H+](CCCF)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784226 584800260 /nfs/dbraw/zinc/80/02/60/584800260.db2.gz LXUXCRAZVARDHB-VXGBXAGGSA-N 2 1 230.327 1.046 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCc1cn[nH]c1 ZINC000903804234 584802594 /nfs/dbraw/zinc/80/25/94/584802594.db2.gz BOJFWQPZVUWDPR-STQMWFEESA-N 2 1 234.347 1.156 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCc1cn[nH]c1 ZINC000903804234 584802596 /nfs/dbraw/zinc/80/25/96/584802596.db2.gz BOJFWQPZVUWDPR-STQMWFEESA-N 2 1 234.347 1.156 20 0 BDADMP C[C@@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810326 584803219 /nfs/dbraw/zinc/80/32/19/584803219.db2.gz BAJHZAIDODHXOU-NEPJUHHUSA-N 2 1 226.364 1.351 20 0 BDADMP FCCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818908 584803604 /nfs/dbraw/zinc/80/36/04/584803604.db2.gz XWYYWVAVJQSUEW-UHFFFAOYSA-N 2 1 230.327 1.191 20 0 BDADMP C[C@H]1CCOCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903832994 584806060 /nfs/dbraw/zinc/80/60/60/584806060.db2.gz VAQWXEMMEFFOTO-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP NC[C@@]12CC[C@@H]1CC[N@@H+]2CCc1cccnc1 ZINC000903856483 584809008 /nfs/dbraw/zinc/80/90/08/584809008.db2.gz REQAOGBXKBFHIH-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP NC[C@@]12CC[C@@H]1CC[N@H+]2CCc1cccnc1 ZINC000903856483 584809010 /nfs/dbraw/zinc/80/90/10/584809010.db2.gz REQAOGBXKBFHIH-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCc1cccnc1 ZINC000903856483 584809011 /nfs/dbraw/zinc/80/90/11/584809011.db2.gz REQAOGBXKBFHIH-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCc1cccnc1 ZINC000903856483 584809013 /nfs/dbraw/zinc/80/90/13/584809013.db2.gz REQAOGBXKBFHIH-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857860 584810513 /nfs/dbraw/zinc/81/05/13/584810513.db2.gz GCUIXSRGRFDSNN-HORCIZIBSA-N 2 1 206.333 1.932 20 0 BDADMP C=C/C=C/CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857860 584810514 /nfs/dbraw/zinc/81/05/14/584810514.db2.gz GCUIXSRGRFDSNN-HORCIZIBSA-N 2 1 206.333 1.932 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCC1CC1 ZINC000903860953 584812086 /nfs/dbraw/zinc/81/20/86/584812086.db2.gz VCOMBXNQAXNDDN-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCC1CC1 ZINC000903860953 584812087 /nfs/dbraw/zinc/81/20/87/584812087.db2.gz VCOMBXNQAXNDDN-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869170 584814785 /nfs/dbraw/zinc/81/47/85/584814785.db2.gz CXEZWDNGXDHYGL-XJFOESAGSA-N 2 1 220.360 1.860 20 0 BDADMP C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC000903873701 584816109 /nfs/dbraw/zinc/81/61/09/584816109.db2.gz KVEGDHRICJEFFB-WSOGJNRSSA-N 2 1 237.391 1.199 20 0 BDADMP C[N@@H+](C[C@H](N)CC(F)F)C1CCC([NH3+])CC1 ZINC000903873278 584816217 /nfs/dbraw/zinc/81/62/17/584816217.db2.gz GHSNIUBKVHLINV-HWOCKDDLSA-N 2 1 235.322 1.171 20 0 BDADMP CN(C[C@H]([NH3+])CC(F)F)C1CCC([NH3+])CC1 ZINC000903873278 584816218 /nfs/dbraw/zinc/81/62/18/584816218.db2.gz GHSNIUBKVHLINV-HWOCKDDLSA-N 2 1 235.322 1.171 20 0 BDADMP CC(C)C(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903898410 584819503 /nfs/dbraw/zinc/81/95/03/584819503.db2.gz LLPLSJPKHHGWER-MRVPVSSYSA-N 2 1 208.296 1.993 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903897967 584819868 /nfs/dbraw/zinc/81/98/68/584819868.db2.gz KTOIHFDSWJFSSV-QWRGUYRKSA-N 2 1 249.349 1.243 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@H]([NH3+])CC(F)F)CC[N@H+]1C ZINC000903895636 584820068 /nfs/dbraw/zinc/82/00/68/584820068.db2.gz PLBOLYHWQZNNJE-GMTAPVOTSA-N 2 1 249.349 1.383 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918733 584822378 /nfs/dbraw/zinc/82/23/78/584822378.db2.gz GPYJQCMPEZWUBD-WVMKXHBISA-N 3 1 239.407 1.480 20 0 BDADMP [NH3+][C@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)CC(F)F ZINC000903920970 584823034 /nfs/dbraw/zinc/82/30/34/584823034.db2.gz YXBGYKJQEKBNKF-VHSXEESVSA-N 3 1 235.322 1.091 20 0 BDADMP CC(C)OCCC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903926852 584824325 /nfs/dbraw/zinc/82/43/25/584824325.db2.gz UXNZEYHOAXDKLY-SECBINFHSA-N 2 1 224.295 1.374 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932812 584825174 /nfs/dbraw/zinc/82/51/74/584825174.db2.gz WBKNGIMSPXGKBU-UWVGGRQHSA-N 2 1 243.301 1.585 20 0 BDADMP C([NH2+]C[C@@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917749 584827185 /nfs/dbraw/zinc/82/71/85/584827185.db2.gz MYYJIYWPPHSYAA-GSPSYOTPSA-N 3 1 237.391 1.249 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959908 584827551 /nfs/dbraw/zinc/82/75/51/584827551.db2.gz RPMCFGJTLHBBJR-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)([NH3+])CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903940060 584829127 /nfs/dbraw/zinc/82/91/27/584829127.db2.gz VDCCBAVJECQJLG-UHFFFAOYSA-N 3 1 239.407 1.578 20 0 BDADMP CCC1([NH3+])CC[NH+](Cc2cnc(N)s2)CC1 ZINC000903947766 584829645 /nfs/dbraw/zinc/82/96/45/584829645.db2.gz HFQNKMZIKOYGLD-UHFFFAOYSA-N 2 1 240.376 1.429 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953381 584831325 /nfs/dbraw/zinc/83/13/25/584831325.db2.gz DQLSGVYUKRAKFJ-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903953876 584831760 /nfs/dbraw/zinc/83/17/60/584831760.db2.gz MKFHUFDXDSLIOY-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903953876 584831762 /nfs/dbraw/zinc/83/17/62/584831762.db2.gz MKFHUFDXDSLIOY-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccncc1 ZINC000903955265 584831972 /nfs/dbraw/zinc/83/19/72/584831972.db2.gz OBFZIVUUCXNKFG-NSHDSACASA-N 2 1 241.285 1.416 20 0 BDADMP CC(C)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972418 584832673 /nfs/dbraw/zinc/83/26/73/584832673.db2.gz IHPGQEVOGBFCJE-GFCCVEGCSA-N 2 1 226.364 1.391 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903967338 584835164 /nfs/dbraw/zinc/83/51/64/584835164.db2.gz HMOONSDVPNVLFM-ZOBORPQBSA-N 2 1 239.407 1.162 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903967338 584835165 /nfs/dbraw/zinc/83/51/65/584835165.db2.gz HMOONSDVPNVLFM-ZOBORPQBSA-N 3 1 239.407 1.162 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903967338 584835166 /nfs/dbraw/zinc/83/51/66/584835166.db2.gz HMOONSDVPNVLFM-ZOBORPQBSA-N 3 1 239.407 1.162 20 0 BDADMP CC(C)N1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301452 584861038 /nfs/dbraw/zinc/86/10/38/584861038.db2.gz IJPHRPIOHOBEHG-BETUJISGSA-N 2 1 225.380 1.140 20 0 BDADMP CC(C)[N@@H+]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301452 584861039 /nfs/dbraw/zinc/86/10/39/584861039.db2.gz IJPHRPIOHOBEHG-BETUJISGSA-N 2 1 225.380 1.140 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301452 584861040 /nfs/dbraw/zinc/86/10/40/584861040.db2.gz IJPHRPIOHOBEHG-BETUJISGSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904300199 584861187 /nfs/dbraw/zinc/86/11/87/584861187.db2.gz YRFITZKYCKYYMQ-RISCZKNCSA-N 3 1 233.359 1.314 20 0 BDADMP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904300199 584861188 /nfs/dbraw/zinc/86/11/88/584861188.db2.gz YRFITZKYCKYYMQ-RISCZKNCSA-N 2 1 233.359 1.314 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904301553 584861214 /nfs/dbraw/zinc/86/12/14/584861214.db2.gz NRRORSCUCNEWEZ-OLZOCXBDSA-N 2 1 226.364 1.080 20 0 BDADMP C[N@@H+](CCOc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302732 584862269 /nfs/dbraw/zinc/86/22/69/584862269.db2.gz YEKJOUTWRNBPOE-BETUJISGSA-N 2 1 234.343 1.735 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCC[C@H]1O ZINC000904328561 584865920 /nfs/dbraw/zinc/86/59/20/584865920.db2.gz GXHDIDZPQFNPIG-FVCCEPFGSA-N 2 1 226.364 1.207 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCC[C@@H]1O ZINC000904328565 584866162 /nfs/dbraw/zinc/86/61/62/584866162.db2.gz GXHDIDZPQFNPIG-RVMXOQNASA-N 2 1 226.364 1.207 20 0 BDADMP C[N@@H+](CCCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904341350 584867024 /nfs/dbraw/zinc/86/70/24/584867024.db2.gz OCYMJTGAJOMLQG-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@]1(C)CO ZINC000904341527 584867231 /nfs/dbraw/zinc/86/72/31/584867231.db2.gz UCDXAQVADDDFGO-GXTWGEPZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@]1(C)CO ZINC000904341527 584867232 /nfs/dbraw/zinc/86/72/32/584867232.db2.gz UCDXAQVADDDFGO-GXTWGEPZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+](CCO)C1CCC1 ZINC000904345764 584868429 /nfs/dbraw/zinc/86/84/29/584868429.db2.gz MYHBVZMMZCOCQL-GFCCVEGCSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+](CCO)C1CCC1 ZINC000904345764 584868430 /nfs/dbraw/zinc/86/84/30/584868430.db2.gz MYHBVZMMZCOCQL-GFCCVEGCSA-N 2 1 242.407 1.987 20 0 BDADMP CCCC[C@@H](CN)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904350094 584869188 /nfs/dbraw/zinc/86/91/88/584869188.db2.gz HWRYNFRFBMEAAT-AWEZNQCLSA-N 2 1 235.375 1.752 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904350094 584869189 /nfs/dbraw/zinc/86/91/89/584869189.db2.gz HWRYNFRFBMEAAT-AWEZNQCLSA-N 3 1 235.375 1.752 20 0 BDADMP C[C@@]1(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351178 584869563 /nfs/dbraw/zinc/86/95/63/584869563.db2.gz VUXZOOKJBLVNON-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351178 584869564 /nfs/dbraw/zinc/86/95/64/584869564.db2.gz VUXZOOKJBLVNON-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP CC(C)(C)CC[C@H](N)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000904354851 584870640 /nfs/dbraw/zinc/87/06/40/584870640.db2.gz JTCDUNRFUXVCLP-RWMBFGLXSA-N 2 1 241.423 1.857 20 0 BDADMP C[N@H+](CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904362249 584871968 /nfs/dbraw/zinc/87/19/68/584871968.db2.gz KJPVCNOFKHYAAJ-TXEJJXNPSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@@H+](CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904362249 584871969 /nfs/dbraw/zinc/87/19/69/584871969.db2.gz KJPVCNOFKHYAAJ-TXEJJXNPSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1)CC[NH2+]CC2 ZINC000904374088 584873802 /nfs/dbraw/zinc/87/38/02/584873802.db2.gz MOFAHMAOIYZDQB-UPJWGTAASA-N 3 1 237.391 1.188 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904373791 584873973 /nfs/dbraw/zinc/87/39/73/584873973.db2.gz WGKHMKVZXFFZLZ-UHFFFAOYSA-N 3 1 221.348 1.187 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904373791 584873974 /nfs/dbraw/zinc/87/39/74/584873974.db2.gz WGKHMKVZXFFZLZ-UHFFFAOYSA-N 3 1 221.348 1.187 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904377058 584876214 /nfs/dbraw/zinc/87/62/14/584876214.db2.gz IRLUNJCKGGVWOV-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904376503 584876405 /nfs/dbraw/zinc/87/64/05/584876405.db2.gz UVNDMPQARZSZDY-BXUZGUMPSA-N 3 1 233.359 1.457 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(C[NH3+])cc1 ZINC000904376503 584876406 /nfs/dbraw/zinc/87/64/06/584876406.db2.gz UVNDMPQARZSZDY-BXUZGUMPSA-N 2 1 233.359 1.457 20 0 BDADMP C[C@@]12COC[C@@H]1C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379813 584876472 /nfs/dbraw/zinc/87/64/72/584876472.db2.gz XWFZFFVFOUWFGU-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1CO ZINC000904381589 584877048 /nfs/dbraw/zinc/87/70/48/584877048.db2.gz ZERDAMOKVKWUSE-RDBSUJKOSA-N 2 1 240.391 1.326 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904383926 584877332 /nfs/dbraw/zinc/87/73/32/584877332.db2.gz DDWVXYZLCTUESB-GXTWGEPZSA-N 2 1 240.391 1.469 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000904405666 584878668 /nfs/dbraw/zinc/87/86/68/584878668.db2.gz MHQLGHYYWCWWTA-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407110 584878883 /nfs/dbraw/zinc/87/88/83/584878883.db2.gz NJGQMKMVVWFLDN-NWDGAFQWSA-N 3 1 213.369 1.031 20 0 BDADMP CC(C)C[C@@H](N)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407110 584878884 /nfs/dbraw/zinc/87/88/84/584878884.db2.gz NJGQMKMVVWFLDN-NWDGAFQWSA-N 2 1 213.369 1.031 20 0 BDADMP CC(C)C[C@@H](N)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407110 584878885 /nfs/dbraw/zinc/87/88/85/584878885.db2.gz NJGQMKMVVWFLDN-NWDGAFQWSA-N 2 1 213.369 1.031 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000904407329 584878999 /nfs/dbraw/zinc/87/89/99/584878999.db2.gz TYFUSASIPDRIEX-LLVKDONJSA-N 2 1 210.321 1.004 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cocn2)CC[C@@H]1C[NH3+] ZINC000904411966 584879485 /nfs/dbraw/zinc/87/94/85/584879485.db2.gz YKDQRANDJBWHCO-NXEZZACHSA-N 2 1 209.293 1.091 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904411090 584879817 /nfs/dbraw/zinc/87/98/17/584879817.db2.gz JYDYSCQYVGDWFK-YPMHNXCESA-N 2 1 236.363 1.320 20 0 BDADMP CCC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000753739489 585267754 /nfs/dbraw/zinc/26/77/54/585267754.db2.gz UEHOVLIJRMQGPD-UHFFFAOYSA-N 2 1 247.342 1.573 20 0 BDADMP CC(C)[N@H+]1CCCN(CC[NH+]2CCCC2)CC1 ZINC000760827737 585398430 /nfs/dbraw/zinc/39/84/30/585398430.db2.gz NKFWONDHNUCVHU-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000770510794 585575211 /nfs/dbraw/zinc/57/52/11/585575211.db2.gz QMJSHBBQONWYOO-GFCCVEGCSA-N 2 1 228.405 1.766 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)C1CC1 ZINC000771802427 585600454 /nfs/dbraw/zinc/60/04/54/585600454.db2.gz LQRSPAKYRFMSLD-ZDUSSCGKSA-N 2 1 237.347 1.332 20 0 BDADMP C[C@H](CCO)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000779341162 585751845 /nfs/dbraw/zinc/75/18/45/585751845.db2.gz MLAJPKWETLIMAZ-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCO)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000779341162 585751846 /nfs/dbraw/zinc/75/18/46/585751846.db2.gz MLAJPKWETLIMAZ-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCO ZINC000779340737 585751948 /nfs/dbraw/zinc/75/19/48/585751948.db2.gz LHRWTMJUOGZSIT-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCO ZINC000779340737 585751949 /nfs/dbraw/zinc/75/19/49/585751949.db2.gz LHRWTMJUOGZSIT-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCO ZINC000779345184 585752027 /nfs/dbraw/zinc/75/20/27/585752027.db2.gz NPMKOBBVLIBBNM-MNOVXSKESA-N 2 1 202.342 1.077 20 0 BDADMP CC(C)[C@@H](C[NH2+][C@H](C)CCO)[NH+]1CCCC1 ZINC000779382797 585752772 /nfs/dbraw/zinc/75/27/72/585752772.db2.gz DTIIFLGWMJASMJ-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP C(C[N@H+]1CC[C@@H]2C[C@@H]21)C[NH+]1CCCCC1 ZINC000781904734 585805131 /nfs/dbraw/zinc/80/51/31/585805131.db2.gz SHCKROHUKAPCJV-OLZOCXBDSA-N 2 1 208.349 1.957 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000788478855 585925096 /nfs/dbraw/zinc/92/50/96/585925096.db2.gz KCPJGVIFLSKGMC-LBPRGKRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC1=C(C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000796589136 586107985 /nfs/dbraw/zinc/10/79/85/586107985.db2.gz BWIZDLYIBYCYSZ-CQSZACIVSA-N 2 1 238.375 1.485 20 0 BDADMP CC1=C(C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000796589136 586107986 /nfs/dbraw/zinc/10/79/86/586107986.db2.gz BWIZDLYIBYCYSZ-CQSZACIVSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1CC[C@H](NCc2ccon2)[C@H]2CCC[C@@H]21 ZINC000796788362 586112639 /nfs/dbraw/zinc/11/26/39/586112639.db2.gz JLSZVDOMDRRHCI-AGIUHOORSA-N 2 1 235.331 1.637 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000798181762 586138556 /nfs/dbraw/zinc/13/85/56/586138556.db2.gz YHTWJCAQFJBMBJ-CMPLNLGQSA-N 2 1 240.347 1.012 20 0 BDADMP C[N@H+]1CCC=C(c2cccc(C[NH3+])c2)C1 ZINC000757571812 586462462 /nfs/dbraw/zinc/46/24/62/586462462.db2.gz MUZKDYXBDATRPV-UHFFFAOYSA-N 2 1 202.301 1.864 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)C(C)C)C1 ZINC000808731977 586485222 /nfs/dbraw/zinc/48/52/22/586485222.db2.gz IRNBXMDYQADMKX-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CCN(C)C[C@@H]1CC[N@H+](CCC(=O)C(C)C)C1 ZINC000808731977 586485223 /nfs/dbraw/zinc/48/52/23/586485223.db2.gz IRNBXMDYQADMKX-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808731977 586485224 /nfs/dbraw/zinc/48/52/24/586485224.db2.gz IRNBXMDYQADMKX-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)C(C)C)C1 ZINC000808731977 586485225 /nfs/dbraw/zinc/48/52/25/586485225.db2.gz IRNBXMDYQADMKX-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)C(C)C)C1 ZINC000808731977 586485226 /nfs/dbraw/zinc/48/52/26/586485226.db2.gz IRNBXMDYQADMKX-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)C(C)C)C1 ZINC000808731977 586485227 /nfs/dbraw/zinc/48/52/27/586485227.db2.gz IRNBXMDYQADMKX-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808731977 586485228 /nfs/dbraw/zinc/48/52/28/586485228.db2.gz IRNBXMDYQADMKX-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000811811429 586567236 /nfs/dbraw/zinc/56/72/36/586567236.db2.gz BVKJUAUVGGCPCP-NXEZZACHSA-N 2 1 247.346 1.404 20 0 BDADMP CSC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817897903 586835243 /nfs/dbraw/zinc/83/52/43/586835243.db2.gz APFOJIYTDNICAK-NXEZZACHSA-N 2 1 216.394 1.716 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913085 586838486 /nfs/dbraw/zinc/83/84/86/586838486.db2.gz NXHVYTYOFTZGRJ-IGJPJIBNSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817911447 586838642 /nfs/dbraw/zinc/83/86/42/586838642.db2.gz AMHFYNNTPZYVRA-VHDGCEQUSA-N 2 1 248.370 1.624 20 0 BDADMP Cc1ncc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000817915553 586838898 /nfs/dbraw/zinc/83/88/98/586838898.db2.gz OBWFBQVISFBTAO-BXKDBHETSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)N1CCCCC1 ZINC000817913895 586839052 /nfs/dbraw/zinc/83/90/52/586839052.db2.gz PZCPYQDQJCSTOA-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000817943179 586846557 /nfs/dbraw/zinc/84/65/57/586846557.db2.gz KOPGMSDBNOSZEA-NSHDSACASA-N 2 1 224.352 1.379 20 0 BDADMP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817947611 586846854 /nfs/dbraw/zinc/84/68/54/586846854.db2.gz CBDDFVNZRLWXOC-UONOGXRCSA-N 3 1 233.359 1.157 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818981216 586920191 /nfs/dbraw/zinc/92/01/91/586920191.db2.gz STIIILNIMOIQIB-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)C1CC1)C1CC1 ZINC000819363327 586956856 /nfs/dbraw/zinc/95/68/56/586956856.db2.gz VLHRJHYVMQJUSU-CYBMUJFWSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820810950 587074189 /nfs/dbraw/zinc/07/41/89/587074189.db2.gz HZMATWWWJJSNNX-CRMUJIHISA-N 2 1 238.375 1.505 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000821401978 587117019 /nfs/dbraw/zinc/11/70/19/587117019.db2.gz JXJHIECFRBYICY-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@H]1CCC[N@H+]1CCNC(=O)CCCCC[NH3+] ZINC000831970493 587639998 /nfs/dbraw/zinc/63/99/98/587639998.db2.gz HHMFHTHPPMRAFA-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CN(CC[N@@H+](C)C1CC1)C(=O)CCCCC[NH3+] ZINC000832082473 587644609 /nfs/dbraw/zinc/64/46/09/587644609.db2.gz NDXKDCZYDMHBKA-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000832526387 587664943 /nfs/dbraw/zinc/66/49/43/587664943.db2.gz CPTWVHHUJOWIJJ-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000832726320 587679726 /nfs/dbraw/zinc/67/97/26/587679726.db2.gz OEENKDDHYXLACY-GFCCVEGCSA-N 2 1 243.395 1.304 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000834821896 587767669 /nfs/dbraw/zinc/76/76/69/587767669.db2.gz UQFGRHXDDYPCMF-VXGBXAGGSA-N 2 1 243.395 1.350 20 0 BDADMP C[C@@H](CCO)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000834910921 587770267 /nfs/dbraw/zinc/77/02/67/587770267.db2.gz QOUKVBDCVXSKSW-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP C[C@@H](CCO)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000834910921 587770268 /nfs/dbraw/zinc/77/02/68/587770268.db2.gz QOUKVBDCVXSKSW-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000841007341 587934805 /nfs/dbraw/zinc/93/48/05/587934805.db2.gz PHILTCYFODETEY-HUUCEWRRSA-N 2 1 248.370 1.923 20 0 BDADMP CCc1nn(C)c(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000841050162 587939698 /nfs/dbraw/zinc/93/96/98/587939698.db2.gz YJSWGTSUCJLNRN-MRVPVSSYSA-N 2 1 244.770 1.320 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000842478545 588030009 /nfs/dbraw/zinc/03/00/09/588030009.db2.gz KQBOTJMBYJYMGJ-KGLIPLIRSA-N 3 1 241.423 1.812 20 0 BDADMP c1ccc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113924 588082417 /nfs/dbraw/zinc/08/24/17/588082417.db2.gz BOCOUEUZNCGUQY-KBPBESRZSA-N 2 1 245.370 1.871 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCC[NH3+])[C@@H](C)C1 ZINC000843126542 588084627 /nfs/dbraw/zinc/08/46/27/588084627.db2.gz IOFGVLJKQOKKAB-KBPBESRZSA-N 3 1 241.423 1.825 20 0 BDADMP CCN1CC[C@H]([NH2+]CCCCCC[NH3+])[C@@H](C)C1 ZINC000843126542 588084629 /nfs/dbraw/zinc/08/46/29/588084629.db2.gz IOFGVLJKQOKKAB-KBPBESRZSA-N 2 1 241.423 1.825 20 0 BDADMP C[C@H]([NH2+]CCCCCC[NH3+])c1c[nH+]ccc1N ZINC000843344264 588101629 /nfs/dbraw/zinc/10/16/29/588101629.db2.gz SLRLAJBKRGUFDX-NSHDSACASA-N 3 1 236.363 1.664 20 0 BDADMP CC[C@@H](NCCCCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000843343933 588101644 /nfs/dbraw/zinc/10/16/44/588101644.db2.gz MGRWWWJFUFMLJU-OLZOCXBDSA-N 2 1 227.396 1.626 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843347725 588102574 /nfs/dbraw/zinc/10/25/74/588102574.db2.gz IULSNUFPYNJIAI-CQSZACIVSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1CN ZINC000843350890 588102703 /nfs/dbraw/zinc/10/27/03/588102703.db2.gz ATHNCCSUPUYYTF-KBPBESRZSA-N 2 1 241.423 1.955 20 0 BDADMP C[C@H]1CCCN(CCCCCCC[NH3+])[C@H]1C[NH3+] ZINC000843350890 588102705 /nfs/dbraw/zinc/10/27/05/588102705.db2.gz ATHNCCSUPUYYTF-KBPBESRZSA-N 2 1 241.423 1.955 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000843352488 588102936 /nfs/dbraw/zinc/10/29/36/588102936.db2.gz HFIYJZJUHMKTFS-CYBMUJFWSA-N 3 1 227.396 1.579 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000843352488 588102938 /nfs/dbraw/zinc/10/29/38/588102938.db2.gz HFIYJZJUHMKTFS-CYBMUJFWSA-N 3 1 227.396 1.579 20 0 BDADMP NC[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000843352713 588103056 /nfs/dbraw/zinc/10/30/56/588103056.db2.gz SLGYDGZINHRTPD-GFCCVEGCSA-N 2 1 213.369 1.319 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000843352713 588103058 /nfs/dbraw/zinc/10/30/58/588103058.db2.gz SLGYDGZINHRTPD-GFCCVEGCSA-N 3 1 213.369 1.319 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000843352713 588103059 /nfs/dbraw/zinc/10/30/59/588103059.db2.gz SLGYDGZINHRTPD-GFCCVEGCSA-N 3 1 213.369 1.319 20 0 BDADMP Cc1cccc2c1CC[N@@H+](CCOCC[NH3+])C2 ZINC000843358501 588103679 /nfs/dbraw/zinc/10/36/79/588103679.db2.gz POCYSNSFACKEGF-UHFFFAOYSA-N 2 1 234.343 1.328 20 0 BDADMP FCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386054 588105337 /nfs/dbraw/zinc/10/53/37/588105337.db2.gz BISCPNFQVISLMP-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846221397 588260140 /nfs/dbraw/zinc/26/01/40/588260140.db2.gz YHWFMSGUTUGOIH-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])[C@@H]1CN ZINC000846217425 588260417 /nfs/dbraw/zinc/26/04/17/588260417.db2.gz HJKAKZBOKBPDHZ-CHWSQXEVSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@@H]1CCCN(CCCCCC[NH3+])[C@@H]1C[NH3+] ZINC000846217425 588260418 /nfs/dbraw/zinc/26/04/18/588260418.db2.gz HJKAKZBOKBPDHZ-CHWSQXEVSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCCCCC[NH3+])C1CC1 ZINC000846217364 588260479 /nfs/dbraw/zinc/26/04/79/588260479.db2.gz FPGSXZGBEZRSRB-GFCCVEGCSA-N 3 1 213.369 1.223 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000846220205 588260671 /nfs/dbraw/zinc/26/06/71/588260671.db2.gz KPWJWOKRVYONIZ-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC000846220205 588260672 /nfs/dbraw/zinc/26/06/72/588260672.db2.gz KPWJWOKRVYONIZ-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP C[N@@H+](Cc1cc2n(n1)CCC2)C1CCC([NH3+])CC1 ZINC000846218003 588260721 /nfs/dbraw/zinc/26/07/21/588260721.db2.gz RLMWVXMYJNRTTA-UHFFFAOYSA-N 2 1 248.374 1.531 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@H]1C[C@@H]1c1ccccc1 ZINC000846222011 588261083 /nfs/dbraw/zinc/26/10/83/588261083.db2.gz KHCDUOHRJVKMOI-OLZOCXBDSA-N 2 1 204.317 1.823 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@H](CN)C1CC1 ZINC000846221080 588261203 /nfs/dbraw/zinc/26/12/03/588261203.db2.gz RZCNDHROYAJEGB-GFCCVEGCSA-N 2 1 213.369 1.175 20 0 BDADMP CN(CCCCCC[NH3+])[C@H](C[NH3+])C1CC1 ZINC000846221080 588261204 /nfs/dbraw/zinc/26/12/04/588261204.db2.gz RZCNDHROYAJEGB-GFCCVEGCSA-N 2 1 213.369 1.175 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCCCC[NH3+] ZINC000846222488 588261529 /nfs/dbraw/zinc/26/15/29/588261529.db2.gz DPDHXVQPRHMSAO-UHFFFAOYSA-N 3 1 201.358 1.047 20 0 BDADMP BrC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000846777042 588287629 /nfs/dbraw/zinc/28/76/29/588287629.db2.gz CLFMYJYCPLRZNU-IUCAKERBSA-N 2 1 245.164 1.065 20 0 BDADMP C[C@@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCC[C@H](C)C1 ZINC000848986958 588425901 /nfs/dbraw/zinc/42/59/01/588425901.db2.gz BREVXVCFWDEHMO-RYUDHWBXSA-N 2 1 238.379 1.337 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N(C)C1CC1 ZINC000848987537 588426153 /nfs/dbraw/zinc/42/61/53/588426153.db2.gz DTNVARJAARDUOC-UHFFFAOYSA-N 2 1 226.368 1.335 20 0 BDADMP C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+](C)C ZINC000848996571 588429229 /nfs/dbraw/zinc/42/92/29/588429229.db2.gz GGSZHHRUFBYPKV-QWRGUYRKSA-N 2 1 226.368 1.193 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848998937 588429833 /nfs/dbraw/zinc/42/98/33/588429833.db2.gz JXFJCZDDTCHXTR-LBPRGKRZSA-N 2 1 238.379 1.337 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004258 588431544 /nfs/dbraw/zinc/43/15/44/588431544.db2.gz JQXRNHFKZYNXCJ-MNOVXSKESA-N 2 1 226.368 1.241 20 0 BDADMP CCNC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849024006 588440018 /nfs/dbraw/zinc/44/00/18/588440018.db2.gz NXRPGILNISGSIC-JTQLQIEISA-N 2 1 226.368 1.241 20 0 BDADMP CC(C)NC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039777 588447118 /nfs/dbraw/zinc/44/71/18/588447118.db2.gz RCBMMTUEUIDGHP-UHFFFAOYSA-N 2 1 226.368 1.383 20 0 BDADMP CN(C(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000849040715 588447485 /nfs/dbraw/zinc/44/74/85/588447485.db2.gz CNWRHSUQLQGIOS-NSHDSACASA-N 2 1 238.379 1.337 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849046210 588450010 /nfs/dbraw/zinc/45/00/10/588450010.db2.gz AFYOJWQIEROQIB-GFCCVEGCSA-N 2 1 242.411 1.877 20 0 BDADMP COC(CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000851796885 588629938 /nfs/dbraw/zinc/62/99/38/588629938.db2.gz LUIBMBBUEVGKAF-NWDGAFQWSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000851796885 588629939 /nfs/dbraw/zinc/62/99/39/588629939.db2.gz LUIBMBBUEVGKAF-NWDGAFQWSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000851796885 588629940 /nfs/dbraw/zinc/62/99/40/588629940.db2.gz LUIBMBBUEVGKAF-NWDGAFQWSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000851796885 588629941 /nfs/dbraw/zinc/62/99/41/588629941.db2.gz LUIBMBBUEVGKAF-NWDGAFQWSA-N 2 1 244.379 1.410 20 0 BDADMP CO[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852751291 588700313 /nfs/dbraw/zinc/70/03/13/588700313.db2.gz WHYGFSXCVMTGKA-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852751291 588700314 /nfs/dbraw/zinc/70/03/14/588700314.db2.gz WHYGFSXCVMTGKA-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000852758857 588700386 /nfs/dbraw/zinc/70/03/86/588700386.db2.gz FUOGWAWVKDTPQM-STQMWFEESA-N 2 1 226.364 1.474 20 0 BDADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863481311 589292851 /nfs/dbraw/zinc/29/28/51/589292851.db2.gz BWJICYNJSRTMMX-YPMHNXCESA-N 2 1 248.374 1.225 20 0 BDADMP COC[C@]1(C)C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000863575144 589301016 /nfs/dbraw/zinc/30/10/16/589301016.db2.gz FEPJUQUYXUSIQN-ZDUSSCGKSA-N 2 1 244.379 1.243 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000863652901 589307288 /nfs/dbraw/zinc/30/72/88/589307288.db2.gz YLQFDCRZILQVSC-LBPRGKRZSA-N 2 1 248.370 1.833 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000863652901 589307289 /nfs/dbraw/zinc/30/72/89/589307289.db2.gz YLQFDCRZILQVSC-LBPRGKRZSA-N 2 1 248.370 1.833 20 0 BDADMP C[C@@H]1CN=C(NC(=O)C[N@@H+](C)C2CCC2)S1 ZINC000863926679 589326800 /nfs/dbraw/zinc/32/68/00/589326800.db2.gz CANXEKCUELANDY-MRVPVSSYSA-N 2 1 241.360 1.078 20 0 BDADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000864450828 589364831 /nfs/dbraw/zinc/36/48/31/589364831.db2.gz CRTHIJQLJQHGGJ-GRYCIOLGSA-N 2 1 238.379 1.241 20 0 BDADMP Cc1[nH+]ccn1CCNC(=[NH2+])NCCC1CC1 ZINC000864456008 589366781 /nfs/dbraw/zinc/36/67/81/589366781.db2.gz DPCLKYCEEWANMM-UHFFFAOYSA-N 2 1 235.335 1.106 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864456513 589367318 /nfs/dbraw/zinc/36/73/18/589367318.db2.gz HWIVXKGGGXADCX-LLVKDONJSA-N 2 1 240.395 1.631 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000864459070 589368228 /nfs/dbraw/zinc/36/82/28/589368228.db2.gz ZSOSUDIXFBNXKM-NSHDSACASA-N 2 1 240.395 1.631 20 0 BDADMP CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000865875064 589466790 /nfs/dbraw/zinc/46/67/90/589466790.db2.gz AVVXTIRFFZPMJJ-JHJVBQTASA-N 2 1 242.407 1.998 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000866486178 589496337 /nfs/dbraw/zinc/49/63/37/589496337.db2.gz AOBFNKZOHGZHGT-DDHJBXDOSA-N 2 1 228.405 1.953 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000866486178 589496339 /nfs/dbraw/zinc/49/63/39/589496339.db2.gz AOBFNKZOHGZHGT-DDHJBXDOSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000866665089 589509434 /nfs/dbraw/zinc/50/94/34/589509434.db2.gz SPAMCXRPFUWDTO-BFHYXJOUSA-N 2 1 238.375 1.487 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000866702485 589513257 /nfs/dbraw/zinc/51/32/57/589513257.db2.gz CAFBNQFZRXTFSC-LBPRGKRZSA-N 2 1 226.364 1.079 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866703722 589513840 /nfs/dbraw/zinc/51/38/40/589513840.db2.gz LABWXYJXPTWWAE-CHWSQXEVSA-N 2 1 240.416 1.671 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704569 589514022 /nfs/dbraw/zinc/51/40/22/589514022.db2.gz WIOFOLYBUMKIMO-UONOGXRCSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704569 589514023 /nfs/dbraw/zinc/51/40/23/589514023.db2.gz WIOFOLYBUMKIMO-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704569 589514024 /nfs/dbraw/zinc/51/40/24/589514024.db2.gz WIOFOLYBUMKIMO-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704569 589514025 /nfs/dbraw/zinc/51/40/25/589514025.db2.gz WIOFOLYBUMKIMO-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704569 589514026 /nfs/dbraw/zinc/51/40/26/589514026.db2.gz WIOFOLYBUMKIMO-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP Cc1cncc([C@@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000866721132 589515094 /nfs/dbraw/zinc/51/50/94/589515094.db2.gz RTOAUQQOZYDVGW-ZDUSSCGKSA-N 2 1 219.332 1.876 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866724408 589515978 /nfs/dbraw/zinc/51/59/78/589515978.db2.gz KDAIEIWTHTWMMU-UONOGXRCSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866724408 589515980 /nfs/dbraw/zinc/51/59/80/589515980.db2.gz KDAIEIWTHTWMMU-UONOGXRCSA-N 3 1 239.407 1.722 20 0 BDADMP CCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871786350 589818164 /nfs/dbraw/zinc/81/81/64/589818164.db2.gz YZSBXLRJJITAGN-FGWVZKOKSA-N 2 1 225.336 1.768 20 0 BDADMP CCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871786350 589818167 /nfs/dbraw/zinc/81/81/67/589818167.db2.gz YZSBXLRJJITAGN-FGWVZKOKSA-N 2 1 225.336 1.768 20 0 BDADMP [NH3+]C1(c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC1 ZINC000871792176 589820076 /nfs/dbraw/zinc/82/00/76/589820076.db2.gz PYCVSPLHHBOHHJ-CBLAIPOGSA-N 2 1 234.303 1.015 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)CC ZINC000872062418 589862485 /nfs/dbraw/zinc/86/24/85/589862485.db2.gz MPOSKLSLFKLXQW-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)CC ZINC000872062418 589862486 /nfs/dbraw/zinc/86/24/86/589862486.db2.gz MPOSKLSLFKLXQW-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000872149400 589885081 /nfs/dbraw/zinc/88/50/81/589885081.db2.gz VTGPUIWYBHMXGN-NSHDSACASA-N 2 1 239.388 1.850 20 0 BDADMP FC(F)[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000872146795 589885483 /nfs/dbraw/zinc/88/54/83/589885483.db2.gz XKLQDQMULUBCFP-NSHDSACASA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000872146795 589885485 /nfs/dbraw/zinc/88/54/85/589885485.db2.gz XKLQDQMULUBCFP-NSHDSACASA-N 2 1 248.317 1.342 20 0 BDADMP NCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157554 589886231 /nfs/dbraw/zinc/88/62/31/589886231.db2.gz PPCXTHRXTKRYHE-OCCSQVGLSA-N 2 1 239.407 1.565 20 0 BDADMP NCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157554 589886233 /nfs/dbraw/zinc/88/62/33/589886233.db2.gz PPCXTHRXTKRYHE-OCCSQVGLSA-N 2 1 239.407 1.565 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C1(COC)CCC1 ZINC000872157063 589886254 /nfs/dbraw/zinc/88/62/54/589886254.db2.gz HQFGDWPUBGWTHL-UHFFFAOYSA-N 2 1 200.326 1.097 20 0 BDADMP CN1CCC[C@H]([N@@H+](C)CCCCCC[NH3+])C1=O ZINC000872155168 589886398 /nfs/dbraw/zinc/88/63/98/589886398.db2.gz FFDABXSYODXXPX-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP CC[NH+]1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000019485472 589938899 /nfs/dbraw/zinc/93/88/99/589938899.db2.gz GQHKWWRPBILFSK-UHFFFAOYSA-N 2 1 241.379 1.060 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]c(C)c1 ZINC000872772213 589967383 /nfs/dbraw/zinc/96/73/83/589967383.db2.gz QPKXVAABQUFMNN-CQSZACIVSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CCNc1cc[nH+]c(C)c1 ZINC000872772213 589967386 /nfs/dbraw/zinc/96/73/86/589967386.db2.gz QPKXVAABQUFMNN-CQSZACIVSA-N 2 1 249.358 1.335 20 0 BDADMP C[N@@H+](CCC1OCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000124399665 589984020 /nfs/dbraw/zinc/98/40/20/589984020.db2.gz KKHRNAOCDLYJFV-GFCCVEGCSA-N 2 1 242.363 1.023 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000873209597 589995222 /nfs/dbraw/zinc/99/52/22/589995222.db2.gz PVYMHAPSUGYIPZ-UONOGXRCSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)[C@@H](C[NH3+])CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000873209597 589995224 /nfs/dbraw/zinc/99/52/24/589995224.db2.gz PVYMHAPSUGYIPZ-UONOGXRCSA-N 2 1 239.407 1.293 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@H](O)CC(C)(C)C2)CC[NH2+]C1 ZINC000873218959 589999021 /nfs/dbraw/zinc/99/90/21/589999021.db2.gz BDXRXYNIDURMTA-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+]1CC[C@H]2CN(Cc3ccc(N)nc3)CC[C@@H]21 ZINC000873222047 589999582 /nfs/dbraw/zinc/99/95/82/589999582.db2.gz XZYPOYGYTXUWGE-STQMWFEESA-N 2 1 246.358 1.190 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCCCCC[NH3+] ZINC000873231620 590002552 /nfs/dbraw/zinc/00/25/52/590002552.db2.gz SQKONVOMLVTHRG-CYBMUJFWSA-N 3 1 229.412 1.811 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN(C)CCCCCC[NH3+] ZINC000873231620 590002554 /nfs/dbraw/zinc/00/25/54/590002554.db2.gz SQKONVOMLVTHRG-CYBMUJFWSA-N 2 1 229.412 1.811 20 0 BDADMP CC(C)C[C@@H](N)C[N@H+](C)CCCCCC[NH3+] ZINC000873231620 590002556 /nfs/dbraw/zinc/00/25/56/590002556.db2.gz SQKONVOMLVTHRG-CYBMUJFWSA-N 2 1 229.412 1.811 20 0 BDADMP CC(C)C[C@@H](N)C[N@@H+](C)CCCCCC[NH3+] ZINC000873231620 590002557 /nfs/dbraw/zinc/00/25/57/590002557.db2.gz SQKONVOMLVTHRG-CYBMUJFWSA-N 2 1 229.412 1.811 20 0 BDADMP C[C@@H]1C[C@H](CN[C@]23CCC[C@H]2[NH2+]CC3)CC[NH2+]1 ZINC000873231855 590003349 /nfs/dbraw/zinc/00/33/49/590003349.db2.gz SAKYRSIBWZCTDL-SYQHCUMBSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873237605 590003741 /nfs/dbraw/zinc/00/37/41/590003741.db2.gz RWJIVOSUJTVJBD-QJPTWQEYSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873237608 590004746 /nfs/dbraw/zinc/00/47/46/590004746.db2.gz RWJIVOSUJTVJBD-TUAOUCFPSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249847 590007326 /nfs/dbraw/zinc/00/73/26/590007326.db2.gz MUXBTGFGENATCX-SPWCGHHHSA-N 2 1 247.386 1.272 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873268557 590015774 /nfs/dbraw/zinc/01/57/74/590015774.db2.gz XAIICRCUICEIGE-OUCADQQQSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873268557 590015775 /nfs/dbraw/zinc/01/57/75/590015775.db2.gz XAIICRCUICEIGE-OUCADQQQSA-N 3 1 239.407 1.447 20 0 BDADMP Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000020128861 590077611 /nfs/dbraw/zinc/07/76/11/590077611.db2.gz FGIJUKAZUQIINA-UHFFFAOYSA-N 2 1 236.363 1.386 20 0 BDADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000877153037 590292669 /nfs/dbraw/zinc/29/26/69/590292669.db2.gz DUUBBIJMFAVSMV-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000877153037 590292670 /nfs/dbraw/zinc/29/26/70/590292670.db2.gz DUUBBIJMFAVSMV-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(C)CC3)CC[C@H]21 ZINC000877738229 590404318 /nfs/dbraw/zinc/40/43/18/590404318.db2.gz ASHHRMGHGYPETP-VXGBXAGGSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(C)CC3)CC[C@H]21 ZINC000877738229 590404320 /nfs/dbraw/zinc/40/43/20/590404320.db2.gz ASHHRMGHGYPETP-VXGBXAGGSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(C)CC3)CC[C@H]21 ZINC000877738229 590404324 /nfs/dbraw/zinc/40/43/24/590404324.db2.gz ASHHRMGHGYPETP-VXGBXAGGSA-N 2 1 208.349 1.813 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC000878236128 590527081 /nfs/dbraw/zinc/52/70/81/590527081.db2.gz QOWGZQKMZLIXNO-AWEZNQCLSA-N 2 1 242.407 1.856 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000878868086 590636566 /nfs/dbraw/zinc/63/65/66/590636566.db2.gz LCAKNMMFTLVXRW-GFCCVEGCSA-N 2 1 244.455 1.252 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879581297 590802108 /nfs/dbraw/zinc/80/21/08/590802108.db2.gz XULYMWANUNYLQU-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000879581297 590802111 /nfs/dbraw/zinc/80/21/11/590802111.db2.gz XULYMWANUNYLQU-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000879581297 590802112 /nfs/dbraw/zinc/80/21/12/590802112.db2.gz XULYMWANUNYLQU-YNEHKIRRSA-N 2 1 226.364 1.437 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(O)CCCC3)CC[C@H]21 ZINC000879573335 590811427 /nfs/dbraw/zinc/81/14/27/590811427.db2.gz NSZRPQUCIBEIKW-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(O)CCCC3)CC[C@H]21 ZINC000879573335 590811430 /nfs/dbraw/zinc/81/14/30/590811430.db2.gz NSZRPQUCIBEIKW-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(O)CCCC3)CC[C@H]21 ZINC000879573335 590811434 /nfs/dbraw/zinc/81/14/34/590811434.db2.gz NSZRPQUCIBEIKW-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3cccnc3)CC[C@H]21 ZINC000879578572 590817411 /nfs/dbraw/zinc/81/74/11/590817411.db2.gz UPGZNTGXTMGLSP-LSDHHAIUSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCc3cccnc3)CC[C@H]21 ZINC000879578572 590817412 /nfs/dbraw/zinc/81/74/12/590817412.db2.gz UPGZNTGXTMGLSP-LSDHHAIUSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCc3cccnc3)CC[C@H]21 ZINC000879578572 590817413 /nfs/dbraw/zinc/81/74/13/590817413.db2.gz UPGZNTGXTMGLSP-LSDHHAIUSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3cccnc3)CC[C@H]21 ZINC000879578572 590817414 /nfs/dbraw/zinc/81/74/14/590817414.db2.gz UPGZNTGXTMGLSP-LSDHHAIUSA-N 2 1 245.370 1.650 20 0 BDADMP COC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583400 590820797 /nfs/dbraw/zinc/82/07/97/590820797.db2.gz YPDDBKMRTFVIBW-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583400 590820800 /nfs/dbraw/zinc/82/08/00/590820800.db2.gz YPDDBKMRTFVIBW-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583400 590820801 /nfs/dbraw/zinc/82/08/01/590820801.db2.gz YPDDBKMRTFVIBW-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583400 590820802 /nfs/dbraw/zinc/82/08/02/590820802.db2.gz YPDDBKMRTFVIBW-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880131233 590932051 /nfs/dbraw/zinc/93/20/51/590932051.db2.gz RZICWTNAWFOHAK-STQMWFEESA-N 2 1 226.364 1.580 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC000880131855 590934211 /nfs/dbraw/zinc/93/42/11/590934211.db2.gz KASMABALDIFZNC-KGLIPLIRSA-N 2 1 231.343 1.750 20 0 BDADMP CO[C@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260025 590979774 /nfs/dbraw/zinc/97/97/74/590979774.db2.gz MJQUFRYTHVBLOG-CHWSQXEVSA-N 2 1 249.358 1.627 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CF)C1 ZINC000880297216 590991095 /nfs/dbraw/zinc/99/10/95/590991095.db2.gz KXMIQQDFWBVRRX-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](CF)C1 ZINC000880297216 590991099 /nfs/dbraw/zinc/99/10/99/590991099.db2.gz KXMIQQDFWBVRRX-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](CF)C1 ZINC000880297216 590991101 /nfs/dbraw/zinc/99/11/01/590991101.db2.gz KXMIQQDFWBVRRX-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CF)C1 ZINC000880297219 590991210 /nfs/dbraw/zinc/99/12/10/590991210.db2.gz KXMIQQDFWBVRRX-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](CF)C1 ZINC000880297219 590991211 /nfs/dbraw/zinc/99/12/11/590991211.db2.gz KXMIQQDFWBVRRX-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](CF)C1 ZINC000880297219 590991215 /nfs/dbraw/zinc/99/12/15/590991215.db2.gz KXMIQQDFWBVRRX-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@@H](CF)C1 ZINC000880299754 590995686 /nfs/dbraw/zinc/99/56/86/590995686.db2.gz LBPDOGBHQSJSRZ-NSHDSACASA-N 2 1 225.311 1.644 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CF)C1 ZINC000880299754 590995687 /nfs/dbraw/zinc/99/56/87/590995687.db2.gz LBPDOGBHQSJSRZ-NSHDSACASA-N 2 1 225.311 1.644 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CF)C1 ZINC000880299754 590995688 /nfs/dbraw/zinc/99/56/88/590995688.db2.gz LBPDOGBHQSJSRZ-NSHDSACASA-N 2 1 225.311 1.644 20 0 BDADMP CC[C@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516876 591083417 /nfs/dbraw/zinc/08/34/17/591083417.db2.gz BPYUHBJJWPUGQN-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CCc2ncncc2C1 ZINC000880597147 591106432 /nfs/dbraw/zinc/10/64/32/591106432.db2.gz PATWWELOGFXZRM-UHFFFAOYSA-N 2 1 243.314 1.040 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CCc2ncncc2C1 ZINC000880597147 591106434 /nfs/dbraw/zinc/10/64/34/591106434.db2.gz PATWWELOGFXZRM-UHFFFAOYSA-N 2 1 243.314 1.040 20 0 BDADMP Cc1ncnc(NC[C@@H]2CC[N@H+](C)C2)c1C ZINC000881916121 591277996 /nfs/dbraw/zinc/27/79/96/591277996.db2.gz VNORVVYKDJRYOQ-NSHDSACASA-N 2 1 220.320 1.457 20 0 BDADMP Cc1ncnc(NC[C@H](C)[N@@H+](C)C2CC2)c1C ZINC000881911144 591278068 /nfs/dbraw/zinc/27/80/68/591278068.db2.gz CHDBFDWEVCJWSC-VIFPVBQESA-N 2 1 234.347 1.988 20 0 BDADMP C[C@H]1C[C@H](N(C)C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000883424545 591658898 /nfs/dbraw/zinc/65/88/98/591658898.db2.gz WHICXNDDBJOJEA-ZDEQEGDKSA-N 2 1 243.370 1.101 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@@H](O)C[NH3+] ZINC000883430106 591661368 /nfs/dbraw/zinc/66/13/68/591661368.db2.gz NHOZWILPWWWEAR-UWVGGRQHSA-N 2 1 236.306 1.063 20 0 BDADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000883441939 591669500 /nfs/dbraw/zinc/66/95/00/591669500.db2.gz ASMAGEYKGGXDTN-NEPJUHHUSA-N 2 1 227.396 1.611 20 0 BDADMP C[NH2+]C[C@H]1CCCCN1CCc1c[nH+]cn1C ZINC000883450805 591670987 /nfs/dbraw/zinc/67/09/87/591670987.db2.gz YGQZOYCGEXSTLO-CYBMUJFWSA-N 2 1 236.363 1.037 20 0 BDADMP Nc1cccc(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458913 591673732 /nfs/dbraw/zinc/67/37/32/591673732.db2.gz BDXJRACVEYNBFU-UHFFFAOYSA-N 2 1 245.370 1.987 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]([NH3+])CC2CC2)cc[nH+]1 ZINC000884229860 591875325 /nfs/dbraw/zinc/87/53/25/591875325.db2.gz CEVMXLBNDHJTDT-LLVKDONJSA-N 2 1 248.330 1.214 20 0 BDADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000134805051 591950813 /nfs/dbraw/zinc/95/08/13/591950813.db2.gz RWGJENANDBRYNR-NWDGAFQWSA-N 2 1 228.405 1.812 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568395 592261417 /nfs/dbraw/zinc/26/14/17/592261417.db2.gz IYRJDOJRICESRI-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568395 592261422 /nfs/dbraw/zinc/26/14/22/592261422.db2.gz IYRJDOJRICESRI-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568395 592261426 /nfs/dbraw/zinc/26/14/26/592261426.db2.gz IYRJDOJRICESRI-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[N@@H+](C[C@H]1C[C@]12CCOC2)CC(C)(C)C[NH3+] ZINC000886830910 592354036 /nfs/dbraw/zinc/35/40/36/592354036.db2.gz ZPZQLSBVGLWRSO-YPMHNXCESA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1C[NH3+] ZINC000886840345 592360141 /nfs/dbraw/zinc/36/01/41/592360141.db2.gz ZMGWDPQWFMAMKV-YIYPIFLZSA-N 2 1 238.375 1.330 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859838 592372903 /nfs/dbraw/zinc/37/29/03/592372903.db2.gz HDGVUBVSASBEGR-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP COCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867512 592375965 /nfs/dbraw/zinc/37/59/65/592375965.db2.gz GZQCHEINZCUZBU-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP FC(F)OCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874244 592376743 /nfs/dbraw/zinc/37/67/43/592376743.db2.gz KAIYCPLQAALSIX-GFCCVEGCSA-N 2 1 248.317 1.691 20 0 BDADMP FC(F)OCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874244 592376747 /nfs/dbraw/zinc/37/67/47/592376747.db2.gz KAIYCPLQAALSIX-GFCCVEGCSA-N 2 1 248.317 1.691 20 0 BDADMP FC(F)OCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874245 592376816 /nfs/dbraw/zinc/37/68/16/592376816.db2.gz KAIYCPLQAALSIX-LBPRGKRZSA-N 2 1 248.317 1.691 20 0 BDADMP FC(F)OCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874245 592376818 /nfs/dbraw/zinc/37/68/18/592376818.db2.gz KAIYCPLQAALSIX-LBPRGKRZSA-N 2 1 248.317 1.691 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872479 592377820 /nfs/dbraw/zinc/37/78/20/592377820.db2.gz SYQZLIMOVJOACB-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP COCC[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872232 592377872 /nfs/dbraw/zinc/37/78/72/592377872.db2.gz NDRCXIIROMPVGA-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887351387 592485278 /nfs/dbraw/zinc/48/52/78/592485278.db2.gz NXHGNGNJHWMQAQ-GFCCVEGCSA-N 2 1 238.379 1.242 20 0 BDADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NCC1CC1 ZINC000887355316 592487666 /nfs/dbraw/zinc/48/76/66/592487666.db2.gz LQEPVXMDRHVMMI-UHFFFAOYSA-N 2 1 249.362 1.496 20 0 BDADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])NCC(F)F ZINC000887361841 592491331 /nfs/dbraw/zinc/49/13/31/592491331.db2.gz LBPHTEGPQKGCSG-UHFFFAOYSA-N 2 1 248.321 1.240 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000925705143 634386118 /nfs/dbraw/zinc/38/61/18/634386118.db2.gz HYQXUUQFIJNNKL-XQQFMLRXSA-N 2 1 237.391 1.378 20 0 BDADMP CO[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@H]1C ZINC000299917034 634403046 /nfs/dbraw/zinc/40/30/46/634403046.db2.gz SYHNHFWALCQIQR-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP CCC[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OCC ZINC000925721272 634459861 /nfs/dbraw/zinc/45/98/61/634459861.db2.gz BRGVGTIJGZFIBL-RYUDHWBXSA-N 2 1 228.380 1.922 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OCC ZINC000925721273 634460277 /nfs/dbraw/zinc/46/02/77/634460277.db2.gz BRGVGTIJGZFIBL-VXGBXAGGSA-N 2 1 228.380 1.922 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257703288 634472795 /nfs/dbraw/zinc/47/27/95/634472795.db2.gz QPJBEAIFILIOQA-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257703288 634472803 /nfs/dbraw/zinc/47/28/03/634472803.db2.gz QPJBEAIFILIOQA-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257731721 634485592 /nfs/dbraw/zinc/48/55/92/634485592.db2.gz XHAZDQVFOVRNOO-KGLIPLIRSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257750969 634492841 /nfs/dbraw/zinc/49/28/41/634492841.db2.gz UVSBBTGEYYVIHD-NWDGAFQWSA-N 2 1 219.332 1.813 20 0 BDADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000335600206 634496754 /nfs/dbraw/zinc/49/67/54/634496754.db2.gz WCUNNTOAGBUEOT-SECBINFHSA-N 2 1 208.309 1.114 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](C)C1 ZINC000093516017 634559974 /nfs/dbraw/zinc/55/99/74/634559974.db2.gz CZBHCOBYFQXUSM-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C)C1 ZINC000093516017 634559977 /nfs/dbraw/zinc/55/99/77/634559977.db2.gz CZBHCOBYFQXUSM-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)[N@@H+]1CCC[C@@H]1c1nc(CC[NH3+])no1 ZINC000258098172 634565030 /nfs/dbraw/zinc/56/50/30/634565030.db2.gz RXLYLJPMEPPSQO-SECBINFHSA-N 2 1 224.308 1.116 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H]1c1nc(CC[NH3+])no1 ZINC000258098172 634565036 /nfs/dbraw/zinc/56/50/36/634565036.db2.gz RXLYLJPMEPPSQO-SECBINFHSA-N 2 1 224.308 1.116 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C1CC1 ZINC000423320711 634585948 /nfs/dbraw/zinc/58/59/48/634585948.db2.gz MMEQIYBKUZQJMZ-QWRGUYRKSA-N 2 1 220.320 1.114 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=O)c1cccc(C[NH3+])c1 ZINC000054110891 635393808 /nfs/dbraw/zinc/39/38/08/635393808.db2.gz NJAZNJGRFVELSD-UHFFFAOYSA-N 2 1 249.358 1.215 20 0 BDADMP C1CC1[C@@H]1OCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925821786 635399863 /nfs/dbraw/zinc/39/98/63/635399863.db2.gz JCOFDISILCIDSH-BNESJGNISA-N 2 1 248.370 1.140 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925833732 635478028 /nfs/dbraw/zinc/47/80/28/635478028.db2.gz XLPNAEWDFSVECB-IMRBUKKESA-N 2 1 240.391 1.467 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233781704 635543045 /nfs/dbraw/zinc/54/30/45/635543045.db2.gz HAGJFAPKIIXKGO-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925853829 635543366 /nfs/dbraw/zinc/54/33/66/635543366.db2.gz CARINQUQKHZEFJ-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP c1ccc2c(c1)CC[C@@H]2[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090319961 631246197 /nfs/dbraw/zinc/24/61/97/631246197.db2.gz PDMSULQHSGZRPK-GUTXKFCHSA-N 2 1 228.339 1.825 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000083354764 631424011 /nfs/dbraw/zinc/42/40/11/631424011.db2.gz LKZRMJPNSKAEAR-UHFFFAOYSA-N 2 1 226.295 1.573 20 0 BDADMP Cc1noc(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000085869890 631464456 /nfs/dbraw/zinc/46/44/56/631464456.db2.gz PECIBGOMANAYHI-UHFFFAOYSA-N 2 1 224.308 1.080 20 0 BDADMP CCC[N@H+]1CC[C@H](CNc2nc(N)cc(C)[nH+]2)C1 ZINC000891967732 631652921 /nfs/dbraw/zinc/65/29/21/631652921.db2.gz QQNSIIKOFWRDHR-LLVKDONJSA-N 2 1 249.362 1.511 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000234704073 631665929 /nfs/dbraw/zinc/66/59/29/631665929.db2.gz VTJRIAQGNDUQJL-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000934124118 631703269 /nfs/dbraw/zinc/70/32/69/631703269.db2.gz NFULXJBNGKAMMS-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@H]1[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000934124118 631703271 /nfs/dbraw/zinc/70/32/71/631703271.db2.gz NFULXJBNGKAMMS-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@H]1[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000934124118 631703273 /nfs/dbraw/zinc/70/32/73/631703273.db2.gz NFULXJBNGKAMMS-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]([NH3+])C1CC[NH+](Cc2cnns2)CC1 ZINC000308936857 631744898 /nfs/dbraw/zinc/74/48/98/631744898.db2.gz SYFFRVAUQVKBGF-QMMMGPOBSA-N 2 1 226.349 1.097 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C ZINC000309046501 631823172 /nfs/dbraw/zinc/82/31/72/631823172.db2.gz OZHSLILVBNRUOB-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C ZINC000309046501 631823174 /nfs/dbraw/zinc/82/31/74/631823174.db2.gz OZHSLILVBNRUOB-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056708 631833110 /nfs/dbraw/zinc/83/31/10/631833110.db2.gz ZMYCQXJMJYRZQZ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000235118038 632008649 /nfs/dbraw/zinc/00/86/49/632008649.db2.gz IAHRQFRXXMJXGQ-IJLUTSLNSA-N 2 1 246.420 1.173 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000052043288 632053035 /nfs/dbraw/zinc/05/30/35/632053035.db2.gz BRMMYIOLYZFGLD-LLVKDONJSA-N 2 1 226.368 1.239 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000219760312 632568303 /nfs/dbraw/zinc/56/83/03/632568303.db2.gz RPHNSGDJAUULST-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCCC1 ZINC000309056085 632629737 /nfs/dbraw/zinc/62/97/37/632629737.db2.gz BKHSZXGZPGVZHT-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056085 632629741 /nfs/dbraw/zinc/62/97/41/632629741.db2.gz BKHSZXGZPGVZHT-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056085 632629744 /nfs/dbraw/zinc/62/97/44/632629744.db2.gz BKHSZXGZPGVZHT-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CN(C)c1nc(N[C@H]2CCC[C@H]2C[NH3+])cc[nH+]1 ZINC000089106024 632659857 /nfs/dbraw/zinc/65/98/57/632659857.db2.gz JDBXBJCDKHGKOT-UWVGGRQHSA-N 2 1 235.335 1.082 20 0 BDADMP CCC[N@H+](CC(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000310074791 632699599 /nfs/dbraw/zinc/69/95/99/632699599.db2.gz AQOVTQBEHAVAAY-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000310074791 632699601 /nfs/dbraw/zinc/69/96/01/632699601.db2.gz AQOVTQBEHAVAAY-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000235438751 632735914 /nfs/dbraw/zinc/73/59/14/632735914.db2.gz PCDQAZNZUQFFBE-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167427098 633129838 /nfs/dbraw/zinc/12/98/38/633129838.db2.gz BRQJGTPOIORFOE-MNOVXSKESA-N 2 1 248.436 1.419 20 0 BDADMP C1=CC[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000309495277 633179430 /nfs/dbraw/zinc/17/94/30/633179430.db2.gz JWOHJGDPVZIDQR-MCIONIFRSA-N 2 1 220.360 1.884 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CCCOCc1ccccc1 ZINC000306399042 635964371 /nfs/dbraw/zinc/96/43/71/635964371.db2.gz LVTJDBSQGBIYJI-ZDUSSCGKSA-N 2 1 236.359 1.872 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCOCc1ccccc1 ZINC000306399042 635964377 /nfs/dbraw/zinc/96/43/77/635964377.db2.gz LVTJDBSQGBIYJI-ZDUSSCGKSA-N 2 1 236.359 1.872 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000925525313 633902787 /nfs/dbraw/zinc/90/27/87/633902787.db2.gz BQCAWBXWUKIFOB-NEPJUHHUSA-N 2 1 240.391 1.922 20 0 BDADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000925555159 634023748 /nfs/dbraw/zinc/02/37/48/634023748.db2.gz FRPPXAHRGHPNDL-MCIONIFRSA-N 2 1 249.402 1.330 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCCC2)C1 ZINC000310534496 634155571 /nfs/dbraw/zinc/15/55/71/634155571.db2.gz OWJZLTFABNWUGV-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCCC2)C1 ZINC000310534496 634155578 /nfs/dbraw/zinc/15/55/78/634155578.db2.gz OWJZLTFABNWUGV-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000310534496 634155585 /nfs/dbraw/zinc/15/55/85/634155585.db2.gz OWJZLTFABNWUGV-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC2(CCCC2)C1 ZINC000310534496 634155590 /nfs/dbraw/zinc/15/55/90/634155590.db2.gz OWJZLTFABNWUGV-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C1=CO[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925643999 634195531 /nfs/dbraw/zinc/19/55/31/634195531.db2.gz LKEDADVJWTXYEH-NWDGAFQWSA-N 2 1 222.332 1.553 20 0 BDADMP OCCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925646710 634203315 /nfs/dbraw/zinc/20/33/15/634203315.db2.gz VGNARKYRWVDYMU-LLVKDONJSA-N 2 1 224.348 1.023 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925675977 634265032 /nfs/dbraw/zinc/26/50/32/634265032.db2.gz KNVLHZLNBYARLT-GHMZBOCLSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925682273 634283677 /nfs/dbraw/zinc/28/36/77/634283677.db2.gz VUJUTCVPZCQTLR-WDEREUQCSA-N 2 1 226.364 1.410 20 0 BDADMP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCC1 ZINC000925695411 634348559 /nfs/dbraw/zinc/34/85/59/634348559.db2.gz WITOYVBCWXJWDE-OLZOCXBDSA-N 2 1 238.375 1.412 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)O1 ZINC000925695994 634353288 /nfs/dbraw/zinc/35/32/88/634353288.db2.gz RZYKTUFPXCGKQU-VWYCJHECSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698959 634366284 /nfs/dbraw/zinc/36/62/84/634366284.db2.gz MCCATCNBDCUFAB-OUAUKWLOSA-N 3 1 213.369 1.077 20 0 BDADMP C[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925701440 634375200 /nfs/dbraw/zinc/37/52/00/634375200.db2.gz ZMGAMRMLHGZKHK-YVECIDJPSA-N 2 1 226.364 1.389 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336651780 635202396 /nfs/dbraw/zinc/20/23/96/635202396.db2.gz ICMUPJQBVRYTEJ-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CCN(CCCc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC000314957348 635249719 /nfs/dbraw/zinc/24/97/19/635249719.db2.gz UYJLWIZFZIYNFX-ZDUSSCGKSA-N 2 1 236.363 1.037 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2cccnc21 ZINC000925782756 635280009 /nfs/dbraw/zinc/28/00/09/635280009.db2.gz AJCISLDNUXUZRM-XBFCOCLRSA-N 2 1 245.370 1.904 20 0 BDADMP Cn1nc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1C1CC1 ZINC000925873246 635589576 /nfs/dbraw/zinc/58/95/76/635589576.db2.gz HDHISHAZFOVFGM-DGCLKSJQSA-N 2 1 248.374 1.515 20 0 BDADMP C[C@H](CCN(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243627 636242693 /nfs/dbraw/zinc/24/26/93/636242693.db2.gz LFLLKFBJKAJPRX-GFCCVEGCSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCOC2)CC[NH2+]1 ZINC000235380247 636603071 /nfs/dbraw/zinc/60/30/71/636603071.db2.gz PNJSQFKGUVGQGK-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)CC1CC1)C[NH+](C)C ZINC000926960698 636973092 /nfs/dbraw/zinc/97/30/92/636973092.db2.gz GRVQOOUVYKXJJK-DGCLKSJQSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CCSC1)C[NH+](C)C ZINC000926965147 636978062 /nfs/dbraw/zinc/97/80/62/636978062.db2.gz PYQMLFPVTMYHRJ-MNOVXSKESA-N 2 1 232.393 1.048 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C(C)(C)CO ZINC000924712614 637022405 /nfs/dbraw/zinc/02/24/05/637022405.db2.gz JAUKQQJRVPMVHN-LLVKDONJSA-N 2 1 239.363 1.578 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000924717980 637030818 /nfs/dbraw/zinc/03/08/18/637030818.db2.gz OGHPQNSTYINDAM-NQBHXWOUSA-N 2 1 240.391 1.587 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC000054601381 637036199 /nfs/dbraw/zinc/03/61/99/637036199.db2.gz OWZDICFJAKPFNB-QXMXGUDHSA-N 2 1 231.343 1.926 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC000054601381 637036203 /nfs/dbraw/zinc/03/62/03/637036203.db2.gz OWZDICFJAKPFNB-QXMXGUDHSA-N 2 1 231.343 1.926 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000903464831 637361770 /nfs/dbraw/zinc/36/17/70/637361770.db2.gz YDFJJOPYCFSIAU-WOPDTQHZSA-N 2 1 210.365 1.820 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000903529217 637369730 /nfs/dbraw/zinc/36/97/30/637369730.db2.gz PNYXUYPORWFVQQ-AWEZNQCLSA-N 3 1 241.423 1.970 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000903529217 637369736 /nfs/dbraw/zinc/36/97/36/637369736.db2.gz PNYXUYPORWFVQQ-AWEZNQCLSA-N 3 1 241.423 1.970 20 0 BDADMP C[N@@H+](CC1CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723020 637378204 /nfs/dbraw/zinc/37/82/04/637378204.db2.gz RYSHRWGNUOZHNC-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721937 637378283 /nfs/dbraw/zinc/37/82/83/637378283.db2.gz GGZAGHDORCOKFQ-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000903788207 637382327 /nfs/dbraw/zinc/38/23/27/637382327.db2.gz FWYBQQFDQBGQAD-NEPJUHHUSA-N 2 1 234.347 1.202 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903788978 637383201 /nfs/dbraw/zinc/38/32/01/637383201.db2.gz SIUCHHSFHZGYNV-NSHDSACASA-N 2 1 240.326 1.023 20 0 BDADMP O[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1F ZINC000903841591 637385020 /nfs/dbraw/zinc/38/50/20/637385020.db2.gz YJHJBEJYKIRYSM-OLZOCXBDSA-N 2 1 244.354 1.171 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000904428939 637398290 /nfs/dbraw/zinc/39/82/90/637398290.db2.gz RQAGYPXMKSPNBS-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](C[NH2+]CC1([NH3+])CC1)Cc1ccccc1 ZINC000904443156 637410820 /nfs/dbraw/zinc/41/08/20/637410820.db2.gz HRCYCUASJOGRAF-LBPRGKRZSA-N 2 1 218.344 1.946 20 0 BDADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000904448537 637413071 /nfs/dbraw/zinc/41/30/71/637413071.db2.gz AUJGGGHRRZIYSW-OWOJBTEDSA-N 2 1 220.291 1.920 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000904444994 637415010 /nfs/dbraw/zinc/41/50/10/637415010.db2.gz UUKOUWJDSXISFA-UHFFFAOYSA-N 3 1 227.396 1.421 20 0 BDADMP [NH3+][C@@H](CC1CC1)c1nc(C2([NH3+])CCCC2)no1 ZINC000905306011 637764671 /nfs/dbraw/zinc/76/46/71/637764671.db2.gz QLRLKTOJILMRLM-VIFPVBQESA-N 2 1 236.319 1.598 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000906510043 638182233 /nfs/dbraw/zinc/18/22/33/638182233.db2.gz LLFBYGLMEJMOTD-UHFFFAOYSA-N 2 1 223.345 1.600 20 0 BDADMP CCCC[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000906537918 638204031 /nfs/dbraw/zinc/20/40/31/638204031.db2.gz QBIHDMBBXGRBIE-LLVKDONJSA-N 2 1 202.342 1.343 20 0 BDADMP CC[C@H](CO)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309505 639696101 /nfs/dbraw/zinc/69/61/01/639696101.db2.gz KMBHLYWBLZEBNO-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CCO[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C1CC1 ZINC000931281172 640132149 /nfs/dbraw/zinc/13/21/49/640132149.db2.gz PKXMXWZFWTUSCK-RQJABVFESA-N 2 1 238.375 1.293 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C1CC1 ZINC000931281172 640132152 /nfs/dbraw/zinc/13/21/52/640132152.db2.gz PKXMXWZFWTUSCK-RQJABVFESA-N 2 1 238.375 1.293 20 0 BDADMP CCOCCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310988 640147816 /nfs/dbraw/zinc/14/78/16/640147816.db2.gz NEILWTZPHGLHCV-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP CCOCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310988 640147823 /nfs/dbraw/zinc/14/78/23/640147823.db2.gz NEILWTZPHGLHCV-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP CCOCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310988 640147825 /nfs/dbraw/zinc/14/78/25/640147825.db2.gz NEILWTZPHGLHCV-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000931431630 640200126 /nfs/dbraw/zinc/20/01/26/640200126.db2.gz CYKITESZBIJWKY-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000931431630 640200131 /nfs/dbraw/zinc/20/01/31/640200131.db2.gz CYKITESZBIJWKY-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000931431630 640200132 /nfs/dbraw/zinc/20/01/32/640200132.db2.gz CYKITESZBIJWKY-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000931433401 640202224 /nfs/dbraw/zinc/20/22/24/640202224.db2.gz AUTOTDHZSJEBCK-OLZOCXBDSA-N 2 1 231.343 1.465 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000931433401 640202229 /nfs/dbraw/zinc/20/22/29/640202229.db2.gz AUTOTDHZSJEBCK-OLZOCXBDSA-N 2 1 231.343 1.465 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000931433401 640202234 /nfs/dbraw/zinc/20/22/34/640202234.db2.gz AUTOTDHZSJEBCK-OLZOCXBDSA-N 2 1 231.343 1.465 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC000931440002 640204928 /nfs/dbraw/zinc/20/49/28/640204928.db2.gz RUAOHNSJRUBYLN-ZJUUUORDSA-N 2 1 236.281 1.822 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC000931440002 640204933 /nfs/dbraw/zinc/20/49/33/640204933.db2.gz RUAOHNSJRUBYLN-ZJUUUORDSA-N 2 1 236.281 1.822 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461215 640220712 /nfs/dbraw/zinc/22/07/12/640220712.db2.gz RPCLWBNEIVVZNB-JTQLQIEISA-N 2 1 245.330 1.534 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461215 640220716 /nfs/dbraw/zinc/22/07/16/640220716.db2.gz RPCLWBNEIVVZNB-JTQLQIEISA-N 2 1 245.330 1.534 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CC[NH+]3CCCC3)CC[C@H]21 ZINC000931548269 640268127 /nfs/dbraw/zinc/26/81/27/640268127.db2.gz XIRXQWCKUWKYHG-UONOGXRCSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CCOC3CC3)CC[C@H]21 ZINC000931548280 640268379 /nfs/dbraw/zinc/26/83/79/640268379.db2.gz XXXFOQYURXEDJO-DGCLKSJQSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOC3CC3)CC[C@H]21 ZINC000931548280 640268387 /nfs/dbraw/zinc/26/83/87/640268387.db2.gz XXXFOQYURXEDJO-DGCLKSJQSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC3CC3)CC[C@H]21 ZINC000931548280 640268392 /nfs/dbraw/zinc/26/83/92/640268392.db2.gz XXXFOQYURXEDJO-DGCLKSJQSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC3CC3)CC[C@H]21 ZINC000931548280 640268396 /nfs/dbraw/zinc/26/83/96/640268396.db2.gz XXXFOQYURXEDJO-DGCLKSJQSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC3CC3)CC[C@H]21 ZINC000931548280 640268400 /nfs/dbraw/zinc/26/84/00/640268400.db2.gz XXXFOQYURXEDJO-DGCLKSJQSA-N 2 1 224.348 1.191 20 0 BDADMP C[C@@H](C1CC1)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717685 640333819 /nfs/dbraw/zinc/33/38/19/640333819.db2.gz AEMPUVKZSHCTMP-UHTWSYAYSA-N 2 1 208.349 1.953 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCF ZINC000931719583 640338618 /nfs/dbraw/zinc/33/86/18/640338618.db2.gz VQOSMZFFPBIEBM-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCF ZINC000931719583 640338620 /nfs/dbraw/zinc/33/86/20/640338620.db2.gz VQOSMZFFPBIEBM-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCF ZINC000931719583 640338621 /nfs/dbraw/zinc/33/86/21/640338621.db2.gz VQOSMZFFPBIEBM-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCF ZINC000931719583 640338626 /nfs/dbraw/zinc/33/86/26/640338626.db2.gz VQOSMZFFPBIEBM-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP C[N@@H+](C[C@@H]1CCSC1)C1CCC([NH3+])CC1 ZINC000224618357 640629845 /nfs/dbraw/zinc/62/98/45/640629845.db2.gz BGFOTTVPPLHEOZ-UNXYVOJBSA-N 2 1 228.405 1.941 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157452462 640686338 /nfs/dbraw/zinc/68/63/38/640686338.db2.gz SSZWOUTVAVIEGE-MJBXVCDLSA-N 2 1 236.359 1.896 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000226338494 640750150 /nfs/dbraw/zinc/75/01/50/640750150.db2.gz VLSJHOFCSRLXCE-UHFFFAOYSA-N 3 1 241.423 1.648 20 0 BDADMP CO[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734494 640753050 /nfs/dbraw/zinc/75/30/50/640753050.db2.gz UGGXATAVBLLIHV-XDQVBPFNSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734494 640753054 /nfs/dbraw/zinc/75/30/54/640753054.db2.gz UGGXATAVBLLIHV-XDQVBPFNSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000933734494 640753056 /nfs/dbraw/zinc/75/30/56/640753056.db2.gz UGGXATAVBLLIHV-XDQVBPFNSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000933734494 640753058 /nfs/dbraw/zinc/75/30/58/640753058.db2.gz UGGXATAVBLLIHV-XDQVBPFNSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@]2(C)C1 ZINC000933741584 640755719 /nfs/dbraw/zinc/75/57/19/640755719.db2.gz XQPGNPKFWUPMJS-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@]2(C)C1 ZINC000933741584 640755729 /nfs/dbraw/zinc/75/57/29/640755729.db2.gz XQPGNPKFWUPMJS-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@]2(C)C1 ZINC000933741584 640755736 /nfs/dbraw/zinc/75/57/36/640755736.db2.gz XQPGNPKFWUPMJS-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP CC[C@H](C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735172 640756692 /nfs/dbraw/zinc/75/66/92/640756692.db2.gz GDAFVMRAMPUTSN-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735172 640756699 /nfs/dbraw/zinc/75/66/99/640756699.db2.gz GDAFVMRAMPUTSN-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735172 640756700 /nfs/dbraw/zinc/75/67/00/640756700.db2.gz GDAFVMRAMPUTSN-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000933734126 640760859 /nfs/dbraw/zinc/76/08/59/640760859.db2.gz PAPNMZGYYFKOJA-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000933734126 640760864 /nfs/dbraw/zinc/76/08/64/640760864.db2.gz PAPNMZGYYFKOJA-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000933734126 640760871 /nfs/dbraw/zinc/76/08/71/640760871.db2.gz PAPNMZGYYFKOJA-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000087651786 640957863 /nfs/dbraw/zinc/95/78/63/640957863.db2.gz QQLBYXXRBTVXSU-UHFFFAOYSA-N 2 1 212.243 1.544 20 0 BDADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC2)CCCO1 ZINC000061932304 641008648 /nfs/dbraw/zinc/00/86/48/641008648.db2.gz YGOSNUJEJJHPNU-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC2)CCCO1 ZINC000061932304 641008653 /nfs/dbraw/zinc/00/86/53/641008653.db2.gz YGOSNUJEJJHPNU-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP CO[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000230316158 641046981 /nfs/dbraw/zinc/04/69/81/641046981.db2.gz JHGVASOVXLBRGU-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000934114095 641080156 /nfs/dbraw/zinc/08/01/56/641080156.db2.gz QIFPOBNAALDLAN-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000934114095 641080160 /nfs/dbraw/zinc/08/01/60/641080160.db2.gz QIFPOBNAALDLAN-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000062862726 641099788 /nfs/dbraw/zinc/09/97/88/641099788.db2.gz FXVFGHRGBONARJ-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000062862445 641100872 /nfs/dbraw/zinc/10/08/72/641100872.db2.gz LSVQNWKYCGEZLV-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000062862445 641100878 /nfs/dbraw/zinc/10/08/78/641100878.db2.gz LSVQNWKYCGEZLV-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1ccnc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199837 641145945 /nfs/dbraw/zinc/14/59/45/641145945.db2.gz PAGGMSNVEJGTBJ-CYBMUJFWSA-N 2 1 248.374 1.384 20 0 BDADMP C[N@@H+](C[C@H](O)CC(F)(F)F)CC(C)(C)C[NH3+] ZINC000307936217 641194123 /nfs/dbraw/zinc/19/41/23/641194123.db2.gz IIFOFLCUPBCUEO-MRVPVSSYSA-N 2 1 242.285 1.216 20 0 BDADMP CSCC(C)(C)[NH2+]CCc1c[nH+]cn1C ZINC000934663694 641237316 /nfs/dbraw/zinc/23/73/16/641237316.db2.gz MOMIDQSJWSWCFK-UHFFFAOYSA-N 2 1 227.377 1.694 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000232148738 641249219 /nfs/dbraw/zinc/24/92/19/641249219.db2.gz OOEPBSDNVZEFCU-ZDUSSCGKSA-N 2 1 228.380 1.469 20 0 BDADMP COCc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000088555217 641368917 /nfs/dbraw/zinc/36/89/17/641368917.db2.gz DOJXMDPPSNWEFG-CQSZACIVSA-N 2 1 234.343 1.614 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929695176 641401396 /nfs/dbraw/zinc/40/13/96/641401396.db2.gz GDJHPRSMYIERGH-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC1CCN(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089150325 641476893 /nfs/dbraw/zinc/47/68/93/641476893.db2.gz RATBHAAOKKUAFI-ZIAGYGMSSA-N 2 1 239.407 1.435 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000076672419 641820678 /nfs/dbraw/zinc/82/06/78/641820678.db2.gz ZYCJPPGHCMBZHY-LBPRGKRZSA-N 2 1 222.307 1.996 20 0 BDADMP C[N@@H+](CCC[NH3+])CCSC(F)(F)F ZINC000123635928 641873598 /nfs/dbraw/zinc/87/35/98/641873598.db2.gz VJVASZNXPXQOCI-UHFFFAOYSA-N 2 1 216.272 1.520 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCO1 ZINC000154750145 642223182 /nfs/dbraw/zinc/22/31/82/642223182.db2.gz YNICHUCADAMHMV-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233927232 642708543 /nfs/dbraw/zinc/70/85/43/642708543.db2.gz GHJAJSHAPDNFJY-MROQNXINSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233927232 642708552 /nfs/dbraw/zinc/70/85/52/642708552.db2.gz GHJAJSHAPDNFJY-MROQNXINSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000036326935 643144555 /nfs/dbraw/zinc/14/45/55/643144555.db2.gz PGCKYAUQVISMQK-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP CCOCC[N@@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233741538 643245002 /nfs/dbraw/zinc/24/50/02/643245002.db2.gz NSWIHJXJOAPJLB-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCCCCC[NH3+] ZINC000035787495 643252587 /nfs/dbraw/zinc/25/25/87/643252587.db2.gz ZNXHJOOTSDQJRU-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCCO)C1 ZINC000175778432 643295165 /nfs/dbraw/zinc/29/51/65/643295165.db2.gz XJFACZQKOALODH-AWEZNQCLSA-N 2 1 242.407 1.813 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000175778432 643295167 /nfs/dbraw/zinc/29/51/67/643295167.db2.gz XJFACZQKOALODH-AWEZNQCLSA-N 2 1 242.407 1.813 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000175778432 643295172 /nfs/dbraw/zinc/29/51/72/643295172.db2.gz XJFACZQKOALODH-AWEZNQCLSA-N 2 1 242.407 1.813 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C1CCC([NH3+])CC1 ZINC000082544763 643340361 /nfs/dbraw/zinc/34/03/61/643340361.db2.gz APYDWENXTOWEBX-PNESKVBLSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000082862876 643385562 /nfs/dbraw/zinc/38/55/62/643385562.db2.gz ZXOCGVKHHBLKFP-SFYZADRCSA-N 2 1 210.243 1.656 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000307508038 643489590 /nfs/dbraw/zinc/48/95/90/643489590.db2.gz ANTOKTNSQLIPMF-NAKRPEOUSA-N 2 1 214.378 1.611 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000081069479 643492856 /nfs/dbraw/zinc/49/28/56/643492856.db2.gz DUCSUFYHMYHNMA-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/Cl)CC12CCOCC2 ZINC000846220381 643649569 /nfs/dbraw/zinc/64/95/69/643649569.db2.gz HUYARHJZOYJBBJ-CLUFZFBRSA-N 2 1 244.766 1.426 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000050247380 643662618 /nfs/dbraw/zinc/66/26/18/643662618.db2.gz WKJOTVVNGGDGPP-GBXSZLQWSA-N 2 1 216.328 1.980 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269652 643673187 /nfs/dbraw/zinc/67/31/87/643673187.db2.gz JWASPWOYHYZZEO-STQMWFEESA-N 2 1 224.348 1.611 20 0 BDADMP CC[C@H]1CO[C@@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015087 643679245 /nfs/dbraw/zinc/67/92/45/643679245.db2.gz IJILCLZVDGZALN-RNJOBUHISA-N 2 1 226.364 1.613 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ncccc2C)CC[C@@H]1[NH3+] ZINC000166344642 643812906 /nfs/dbraw/zinc/81/29/06/643812906.db2.gz PTVHWHHWDKVNTI-OLZOCXBDSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@H](CC[NH2+]Cc1ccncc1N)[NH+](C)C ZINC000922254416 643925069 /nfs/dbraw/zinc/92/50/69/643925069.db2.gz JZDJNMCWLJQCRX-SNVBAGLBSA-N 2 1 222.336 1.094 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C)C1CC1)C[NH+](C)C ZINC000922757920 644086856 /nfs/dbraw/zinc/08/68/56/644086856.db2.gz NXSXBSBEUPHFHO-PWSUYJOCSA-N 2 1 214.353 1.341 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)C[NH+](C)C ZINC000922758623 644087150 /nfs/dbraw/zinc/08/71/50/644087150.db2.gz YGOAOTRJEMCIAM-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP CCC[C@@H](C)C[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000922757877 644087782 /nfs/dbraw/zinc/08/77/82/644087782.db2.gz MZLTWNOMLDVAFQ-CHWSQXEVSA-N 2 1 230.396 1.979 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000923280552 644314897 /nfs/dbraw/zinc/31/48/97/644314897.db2.gz BOMXGPHNQKFSLG-KGLIPLIRSA-N 2 1 242.407 1.715 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282873 644319079 /nfs/dbraw/zinc/31/90/79/644319079.db2.gz YAIOFVFTRRBRGI-QWHCGFSZSA-N 2 1 228.380 1.598 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923287387 644319777 /nfs/dbraw/zinc/31/97/77/644319777.db2.gz DROOUVPBZRZJJV-AVGNSLFASA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923288100 644320935 /nfs/dbraw/zinc/32/09/35/644320935.db2.gz HKMYJBJAMILVAN-MCIONIFRSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)Cc2ccccc21 ZINC000923299605 644325603 /nfs/dbraw/zinc/32/56/03/644325603.db2.gz XCGFVLPWHCCNAH-WCUVEOEZSA-N 2 1 246.354 1.456 20 0 BDADMP CSC[C@@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923298011 644336060 /nfs/dbraw/zinc/33/60/60/644336060.db2.gz QUJBUBJLUCCOFM-WDEREUQCSA-N 2 1 234.409 1.016 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923298569 644337192 /nfs/dbraw/zinc/33/71/92/644337192.db2.gz VYWSVKXQOHTHHC-IHRRRGAJSA-N 2 1 234.343 1.277 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304228 644339744 /nfs/dbraw/zinc/33/97/44/644339744.db2.gz PMRPFURAGVPUGJ-STQMWFEESA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923314656 644342884 /nfs/dbraw/zinc/34/28/84/644342884.db2.gz XFVKBPGBTPSQQK-ZDUSSCGKSA-N 2 1 238.375 1.628 20 0 BDADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC2(CCC2)C1 ZINC000923315306 644343677 /nfs/dbraw/zinc/34/36/77/644343677.db2.gz GLXITOPZWNBTFG-LBPRGKRZSA-N 2 1 236.359 1.241 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923315860 644343997 /nfs/dbraw/zinc/34/39/97/644343997.db2.gz NDKAZEDHUYABNB-RFGFWPKPSA-N 2 1 240.391 1.595 20 0 BDADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)C(C)C ZINC000923308934 644346433 /nfs/dbraw/zinc/34/64/33/644346433.db2.gz KCRDINUAJKDRQY-OLZOCXBDSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923310579 644346733 /nfs/dbraw/zinc/34/67/33/644346733.db2.gz KDYAURYKEWHYHF-JHJVBQTASA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923310580 644347613 /nfs/dbraw/zinc/34/76/13/644347613.db2.gz KDYAURYKEWHYHF-UPJWGTAASA-N 2 1 238.375 1.485 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333861 644354185 /nfs/dbraw/zinc/35/41/85/644354185.db2.gz YMHSPJZXRXWRQT-MCIONIFRSA-N 2 1 242.407 1.987 20 0 BDADMP CC[C@H](O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336968 644356453 /nfs/dbraw/zinc/35/64/53/644356453.db2.gz VKKFFAYGDFDBDU-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923331929 644359490 /nfs/dbraw/zinc/35/94/90/644359490.db2.gz JKADCPABCDQIHT-UHTWSYAYSA-N 2 1 249.358 1.715 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331547 644360615 /nfs/dbraw/zinc/36/06/15/644360615.db2.gz LSTZHZUYELFSSK-UONOGXRCSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358991 644368318 /nfs/dbraw/zinc/36/83/18/644368318.db2.gz NSPOZWFIEIKBLM-YNEHKIRRSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356774 644375603 /nfs/dbraw/zinc/37/56/03/644375603.db2.gz ULHGJWLONJUHDK-OLZOCXBDSA-N 2 1 228.380 1.454 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923360327 644383025 /nfs/dbraw/zinc/38/30/25/644383025.db2.gz ZZXBQIMSCGUNLP-MJBXVCDLSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923375872 644388240 /nfs/dbraw/zinc/38/82/40/644388240.db2.gz QUPMPCRLYCOJBJ-MJBXVCDLSA-N 2 1 242.407 1.700 20 0 BDADMP CSC[C@@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923374196 644388808 /nfs/dbraw/zinc/38/88/08/644388808.db2.gz SBAXAHLMHUEANV-NWDGAFQWSA-N 2 1 246.420 1.208 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923375873 644389564 /nfs/dbraw/zinc/38/95/64/644389564.db2.gz QUPMPCRLYCOJBJ-RDBSUJKOSA-N 2 1 242.407 1.700 20 0 BDADMP O[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923387480 644398734 /nfs/dbraw/zinc/39/87/34/644398734.db2.gz OOWKEXDUVYLEDR-GSPSYOTPSA-N 2 1 238.375 1.364 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923392301 644398938 /nfs/dbraw/zinc/39/89/38/644398938.db2.gz VADHJHGPCMSBBC-QRFUTXMCSA-N 3 1 249.402 1.330 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923392301 644398942 /nfs/dbraw/zinc/39/89/42/644398942.db2.gz VADHJHGPCMSBBC-QRFUTXMCSA-N 3 1 249.402 1.330 20 0 BDADMP NCC12CC(C1)C[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923392301 644398949 /nfs/dbraw/zinc/39/89/49/644398949.db2.gz VADHJHGPCMSBBC-QRFUTXMCSA-N 2 1 249.402 1.330 20 0 BDADMP NCC12CC(C1)C[N@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923392301 644398958 /nfs/dbraw/zinc/39/89/58/644398958.db2.gz VADHJHGPCMSBBC-QRFUTXMCSA-N 2 1 249.402 1.330 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923387233 644398970 /nfs/dbraw/zinc/39/89/70/644398970.db2.gz WHMOBSSLWWOEQN-LLVKDONJSA-N 2 1 216.369 1.453 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923387233 644398973 /nfs/dbraw/zinc/39/89/73/644398973.db2.gz WHMOBSSLWWOEQN-LLVKDONJSA-N 2 1 216.369 1.453 20 0 BDADMP C[N@H+](C[C@@H](O)Cc1ccccc1)CC(C)(C)[NH3+] ZINC000923386465 644400201 /nfs/dbraw/zinc/40/02/01/644400201.db2.gz NVIHNPKPVJJGTL-ZDUSSCGKSA-N 2 1 236.359 1.259 20 0 BDADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)CC(C)(C)[NH3+] ZINC000923386465 644400207 /nfs/dbraw/zinc/40/02/07/644400207.db2.gz NVIHNPKPVJJGTL-ZDUSSCGKSA-N 2 1 236.359 1.259 20 0 BDADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)[NH3+] ZINC000923386003 644400469 /nfs/dbraw/zinc/40/04/69/644400469.db2.gz ITGPYTGFOUJKLG-YHWZYXNKSA-N 3 1 239.407 1.576 20 0 BDADMP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)[NH3+] ZINC000923386003 644400511 /nfs/dbraw/zinc/40/05/11/644400511.db2.gz ITGPYTGFOUJKLG-YHWZYXNKSA-N 2 1 239.407 1.576 20 0 BDADMP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)N ZINC000923386003 644400515 /nfs/dbraw/zinc/40/05/15/644400515.db2.gz ITGPYTGFOUJKLG-YHWZYXNKSA-N 2 1 239.407 1.576 20 0 BDADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)N ZINC000923386003 644400519 /nfs/dbraw/zinc/40/05/19/644400519.db2.gz ITGPYTGFOUJKLG-YHWZYXNKSA-N 2 1 239.407 1.576 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](C3CCC3)C2)C1 ZINC000923396055 644401052 /nfs/dbraw/zinc/40/10/52/644401052.db2.gz UWGOOIQEEVOSFV-RFGFWPKPSA-N 2 1 238.375 1.349 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923393294 644402213 /nfs/dbraw/zinc/40/22/13/644402213.db2.gz OBIGSSRMDYBPJQ-YUELXQCFSA-N 2 1 248.370 1.402 20 0 BDADMP CCC1(CC)CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923389553 644402403 /nfs/dbraw/zinc/40/24/03/644402403.db2.gz DHZQABCUPFEBGT-AVGNSLFASA-N 2 1 240.391 1.739 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399596 644405093 /nfs/dbraw/zinc/40/50/93/644405093.db2.gz SDQJGTCSNYAGPH-RDBSUJKOSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923399596 644405096 /nfs/dbraw/zinc/40/50/96/644405096.db2.gz SDQJGTCSNYAGPH-RDBSUJKOSA-N 2 1 240.391 1.597 20 0 BDADMP C1=CC[C@@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@@H]2C1 ZINC000923415490 644417419 /nfs/dbraw/zinc/41/74/19/644417419.db2.gz QNZPIMCSXHZQKK-MJBXVCDLSA-N 2 1 248.370 1.263 20 0 BDADMP CSC[C@H](O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923424547 644419308 /nfs/dbraw/zinc/41/93/08/644419308.db2.gz SWZFDJPPYJNBGZ-NOOOWODRSA-N 2 1 246.420 1.158 20 0 BDADMP CSC[C@H](O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923424547 644419314 /nfs/dbraw/zinc/41/93/14/644419314.db2.gz SWZFDJPPYJNBGZ-NOOOWODRSA-N 2 1 246.420 1.158 20 0 BDADMP CCN1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084220326 644420415 /nfs/dbraw/zinc/42/04/15/644420415.db2.gz SRMXHVVMPIANOE-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923427638 644422155 /nfs/dbraw/zinc/42/21/55/644422155.db2.gz UIUGYFFVJYMVFL-MELADBBJSA-N 2 1 240.391 1.325 20 0 BDADMP CC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923429173 644422801 /nfs/dbraw/zinc/42/28/01/644422801.db2.gz XESNYTQRZYBYES-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000923435918 644428481 /nfs/dbraw/zinc/42/84/81/644428481.db2.gz KVSKKVHLMHUQKH-GRYCIOLGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455559 644435669 /nfs/dbraw/zinc/43/56/69/644435669.db2.gz XTARFWQPDZRXNI-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455559 644435673 /nfs/dbraw/zinc/43/56/73/644435673.db2.gz XTARFWQPDZRXNI-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[N@@H+](C[C@@H](O)C(F)(F)F)C1CCC([NH3+])CC1 ZINC000085869833 644452527 /nfs/dbraw/zinc/45/25/27/644452527.db2.gz LACVKCVIWRJREY-AMDVSUOASA-N 2 1 240.269 1.111 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)nc1 ZINC000923482647 644459051 /nfs/dbraw/zinc/45/90/51/644459051.db2.gz GYQJLGAPGIDBDE-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483514 644460253 /nfs/dbraw/zinc/46/02/53/644460253.db2.gz BGPLUGJIZQFNIQ-ZDUSSCGKSA-N 3 1 227.396 1.566 20 0 BDADMP CCCCOC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484816 644461881 /nfs/dbraw/zinc/46/18/81/644461881.db2.gz NRASMPWUICGSJV-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@H]1C[NH3+] ZINC000923495883 644462524 /nfs/dbraw/zinc/46/25/24/644462524.db2.gz DVCZSFMOBIZZGM-JQWIXIFHSA-N 2 1 249.358 1.969 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488447 644464399 /nfs/dbraw/zinc/46/43/99/644464399.db2.gz FVWKPQROCNVFCO-STQMWFEESA-N 2 1 233.359 1.807 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C1CC1 ZINC000923489798 644464542 /nfs/dbraw/zinc/46/45/42/644464542.db2.gz LCHSPWCCKRFWQT-IACUBPJLSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@H]1C[NH3+] ZINC000923489402 644464584 /nfs/dbraw/zinc/46/45/84/644464584.db2.gz JNROOINFZBCKNR-JQWIXIFHSA-N 2 1 249.358 1.969 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923490400 644465043 /nfs/dbraw/zinc/46/50/43/644465043.db2.gz NKBMFWMNJXQCKJ-ONGXEEELSA-N 2 1 223.320 1.400 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490683 644465268 /nfs/dbraw/zinc/46/52/68/644465268.db2.gz OQKOZSFCUVXNQP-RYUDHWBXSA-N 2 1 242.363 1.246 20 0 BDADMP CCC(F)(F)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488381 644466029 /nfs/dbraw/zinc/46/60/29/644466029.db2.gz DWFZAWSMWHOTQE-VHSXEESVSA-N 2 1 220.307 1.948 20 0 BDADMP CCC(F)(F)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488381 644466036 /nfs/dbraw/zinc/46/60/36/644466036.db2.gz DWFZAWSMWHOTQE-VHSXEESVSA-N 2 1 220.307 1.948 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923491945 644466948 /nfs/dbraw/zinc/46/69/48/644466948.db2.gz VIAKSFPDYTWUKP-WUHRBBMRSA-N 2 1 226.364 1.328 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491974 644467643 /nfs/dbraw/zinc/46/76/43/644467643.db2.gz LODROAWEJYRNKU-NDBYEHHHSA-N 2 1 210.365 1.949 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCO)CC[C@@H]1C[NH3+] ZINC000923502249 644470443 /nfs/dbraw/zinc/47/04/43/644470443.db2.gz YIWQJGVEYDWMAK-CHWSQXEVSA-N 2 1 228.380 1.456 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@H]1C[NH3+] ZINC000923497538 644472585 /nfs/dbraw/zinc/47/25/85/644472585.db2.gz LZZKQOHSOLOXTD-JQWIXIFHSA-N 2 1 234.347 1.081 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923500855 644473270 /nfs/dbraw/zinc/47/32/70/644473270.db2.gz PPXJUXGMZIOESH-CMPLNLGQSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923498794 644473662 /nfs/dbraw/zinc/47/36/62/644473662.db2.gz LPVDSHWCIUJCCC-QXEWZRGKSA-N 2 1 238.335 1.356 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccn1 ZINC000923515698 644479928 /nfs/dbraw/zinc/47/99/28/644479928.db2.gz KPVOKJLFLAQCDK-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923530675 644488436 /nfs/dbraw/zinc/48/84/36/644488436.db2.gz MEGPTVPATUGLEN-MJBXVCDLSA-N 3 1 237.391 1.332 20 0 BDADMP [NH3+][C@@H]1CC[C@H](CN2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923530675 644488440 /nfs/dbraw/zinc/48/84/40/644488440.db2.gz MEGPTVPATUGLEN-MJBXVCDLSA-N 2 1 237.391 1.332 20 0 BDADMP C(C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000923532278 644488917 /nfs/dbraw/zinc/48/89/17/644488917.db2.gz AHPBJRCXQFUAGP-KBPBESRZSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000923532278 644488926 /nfs/dbraw/zinc/48/89/26/644488926.db2.gz AHPBJRCXQFUAGP-KBPBESRZSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923535793 644492025 /nfs/dbraw/zinc/49/20/25/644492025.db2.gz JKLQEKQXILXQKB-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923535793 644492029 /nfs/dbraw/zinc/49/20/29/644492029.db2.gz JKLQEKQXILXQKB-CQSZACIVSA-N 2 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923535792 644493145 /nfs/dbraw/zinc/49/31/45/644493145.db2.gz JKLQEKQXILXQKB-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923535792 644493150 /nfs/dbraw/zinc/49/31/50/644493150.db2.gz JKLQEKQXILXQKB-AWEZNQCLSA-N 2 1 237.391 1.204 20 0 BDADMP COC1CC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000769494884 644682563 /nfs/dbraw/zinc/68/25/63/644682563.db2.gz UHQMOOYFSWGWQX-PKSQDBQZSA-N 2 1 237.347 1.595 20 0 BDADMP C[N@@H+](CCOCC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000094989955 644734223 /nfs/dbraw/zinc/73/42/23/644734223.db2.gz JQPUJSRUYANXHK-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250457343 644759485 /nfs/dbraw/zinc/75/94/85/644759485.db2.gz IZLQCRPEUYXUOL-ZOBORPQBSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250646973 644773658 /nfs/dbraw/zinc/77/36/58/644773658.db2.gz VOVQYJIHGROAPL-REWJHTLYSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250646973 644773663 /nfs/dbraw/zinc/77/36/63/644773663.db2.gz VOVQYJIHGROAPL-REWJHTLYSA-N 2 1 237.391 1.201 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250888010 644785535 /nfs/dbraw/zinc/78/55/35/644785535.db2.gz WWNBESDDZQMXLS-MELADBBJSA-N 2 1 236.359 1.896 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250888010 644785540 /nfs/dbraw/zinc/78/55/40/644785540.db2.gz WWNBESDDZQMXLS-MELADBBJSA-N 2 1 236.359 1.896 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251038539 644789438 /nfs/dbraw/zinc/78/94/38/644789438.db2.gz KHYQOQVFFNIPMR-SRVKXCTJSA-N 2 1 242.363 1.210 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251038539 644789444 /nfs/dbraw/zinc/78/94/44/644789444.db2.gz KHYQOQVFFNIPMR-SRVKXCTJSA-N 2 1 242.363 1.210 20 0 BDADMP CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251036594 644789569 /nfs/dbraw/zinc/78/95/69/644789569.db2.gz BLVJJIQIMAPRCJ-XQQFMLRXSA-N 2 1 226.364 1.364 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251036594 644789572 /nfs/dbraw/zinc/78/95/72/644789572.db2.gz BLVJJIQIMAPRCJ-XQQFMLRXSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1nccs1 ZINC000251233070 644799064 /nfs/dbraw/zinc/79/90/64/644799064.db2.gz CGGUOWIUEOAAKT-LPEHRKFASA-N 2 1 225.361 1.921 20 0 BDADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251285492 644800312 /nfs/dbraw/zinc/80/03/12/644800312.db2.gz NBUHZLGPWAINLL-MCIONIFRSA-N 2 1 237.391 1.202 20 0 BDADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251285492 644800314 /nfs/dbraw/zinc/80/03/14/644800314.db2.gz NBUHZLGPWAINLL-MCIONIFRSA-N 3 1 237.391 1.202 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251285492 644800318 /nfs/dbraw/zinc/80/03/18/644800318.db2.gz NBUHZLGPWAINLL-MCIONIFRSA-N 3 1 237.391 1.202 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251873814 644828006 /nfs/dbraw/zinc/82/80/06/644828006.db2.gz UPYOKBKEEKUOLW-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415135150 644886361 /nfs/dbraw/zinc/88/63/61/644886361.db2.gz FOLHXAAVWUTHCG-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415135150 644886365 /nfs/dbraw/zinc/88/63/65/644886365.db2.gz FOLHXAAVWUTHCG-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C)C2)[C@H](C)C1 ZINC000252709386 644888603 /nfs/dbraw/zinc/88/86/03/644888603.db2.gz CTSPHQPWKALSII-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000252709386 644888605 /nfs/dbraw/zinc/88/86/05/644888605.db2.gz CTSPHQPWKALSII-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000252709386 644888609 /nfs/dbraw/zinc/88/86/09/644888609.db2.gz CTSPHQPWKALSII-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC000252709386 644888610 /nfs/dbraw/zinc/88/86/10/644888610.db2.gz CTSPHQPWKALSII-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC000252709386 644888614 /nfs/dbraw/zinc/88/86/14/644888614.db2.gz CTSPHQPWKALSII-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252739642 644897428 /nfs/dbraw/zinc/89/74/28/644897428.db2.gz FYQIRSCWRDWBLW-ZZIFITQXSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@@H]1C[N@H+](CCSC(F)(F)F)CC[C@H]1[NH3+] ZINC000253154335 644940660 /nfs/dbraw/zinc/94/06/60/644940660.db2.gz AONWDBIYWIUCGW-HTQZYQBOSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@@H]1C[N@@H+](CCSC(F)(F)F)CC[C@H]1[NH3+] ZINC000253154335 644940661 /nfs/dbraw/zinc/94/06/61/644940661.db2.gz AONWDBIYWIUCGW-HTQZYQBOSA-N 2 1 242.310 1.909 20 0 BDADMP CCCN1CCC([N@H+](C)CC[S@](C)=O)CC1 ZINC000827971426 645089426 /nfs/dbraw/zinc/08/94/26/645089426.db2.gz XYPWIOFTFWUSMZ-INIZCTEOSA-N 2 1 246.420 1.171 20 0 BDADMP CCCN1CCC([N@@H+](C)CC[S@](C)=O)CC1 ZINC000827971426 645089433 /nfs/dbraw/zinc/08/94/33/645089433.db2.gz XYPWIOFTFWUSMZ-INIZCTEOSA-N 2 1 246.420 1.171 20 0 BDADMP C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000843129415 645267729 /nfs/dbraw/zinc/26/77/29/645267729.db2.gz UADQNHGSKWTZIM-BXUZGUMPSA-N 2 1 233.359 1.375 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843367436 645287025 /nfs/dbraw/zinc/28/70/25/645287025.db2.gz HIKXYTXAJCOGPZ-CQSZACIVSA-N 3 1 239.407 1.581 20 0 BDADMP c1ccc([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000843388771 645287624 /nfs/dbraw/zinc/28/76/24/645287624.db2.gz FJRJJQUHMWEWQK-OLZOCXBDSA-N 2 1 231.343 1.480 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000926574358 645291369 /nfs/dbraw/zinc/29/13/69/645291369.db2.gz WEGOCYRXPYUKPE-RQJABVFESA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000926646310 645330912 /nfs/dbraw/zinc/33/09/12/645330912.db2.gz XNALEVMXMKCSRI-HZSPNIEDSA-N 2 1 242.407 1.977 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)CO ZINC000926644076 645332209 /nfs/dbraw/zinc/33/22/09/645332209.db2.gz FFOKQDIWXLKBEL-CYBMUJFWSA-N 2 1 244.423 1.961 20 0 BDADMP CC(C)(F)CC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926701046 645368288 /nfs/dbraw/zinc/36/82/88/645368288.db2.gz JJBQOGJOIKROMI-QWRGUYRKSA-N 2 1 214.328 1.808 20 0 BDADMP CC(C)(F)CC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926701046 645368290 /nfs/dbraw/zinc/36/82/90/645368290.db2.gz JJBQOGJOIKROMI-QWRGUYRKSA-N 2 1 214.328 1.808 20 0 BDADMP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926818034 645443252 /nfs/dbraw/zinc/44/32/52/645443252.db2.gz WNAFIHATNLUOBH-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926818034 645443256 /nfs/dbraw/zinc/44/32/56/645443256.db2.gz WNAFIHATNLUOBH-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCCC12CC2)C[NH+](C)C ZINC000926961160 645502374 /nfs/dbraw/zinc/50/23/74/645502374.db2.gz OGJSXQOJXUMETJ-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1COC[C@H](C)C1[NH2+]C1CC[NH+](C)CC1 ZINC000924574919 646073336 /nfs/dbraw/zinc/07/33/36/646073336.db2.gz HJSHFRWDJIHQSC-QWRGUYRKSA-N 2 1 226.364 1.341 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccnc1 ZINC000924632224 646082171 /nfs/dbraw/zinc/08/21/71/646082171.db2.gz BWUNWIBMSQDYLX-YIONKMFJSA-N 2 1 245.370 1.554 20 0 BDADMP C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccnnc1 ZINC000924648598 646087442 /nfs/dbraw/zinc/08/74/42/646087442.db2.gz MFVAUZWVLVHGHH-VXGBXAGGSA-N 2 1 246.358 1.612 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccnnc1 ZINC000924648598 646087452 /nfs/dbraw/zinc/08/74/52/646087452.db2.gz MFVAUZWVLVHGHH-VXGBXAGGSA-N 2 1 246.358 1.612 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924755411 646102355 /nfs/dbraw/zinc/10/23/55/646102355.db2.gz WFNYKZBEKRSETI-CHWSQXEVSA-N 2 1 248.374 1.859 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924755411 646102361 /nfs/dbraw/zinc/10/23/61/646102361.db2.gz WFNYKZBEKRSETI-CHWSQXEVSA-N 2 1 248.374 1.859 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924755830 646102998 /nfs/dbraw/zinc/10/29/98/646102998.db2.gz XKCSKRVWFZTUCZ-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)CO ZINC000924917372 646131961 /nfs/dbraw/zinc/13/19/61/646131961.db2.gz PWQRXKOMWWKUKI-NEPJUHHUSA-N 2 1 230.396 1.713 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)CO ZINC000924917372 646131963 /nfs/dbraw/zinc/13/19/63/646131963.db2.gz PWQRXKOMWWKUKI-NEPJUHHUSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000925012808 646157304 /nfs/dbraw/zinc/15/73/04/646157304.db2.gz WQYVNWMURXQGKN-RQJABVFESA-N 2 1 240.391 1.589 20 0 BDADMP CC[C@H](CO)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000929507247 646159750 /nfs/dbraw/zinc/15/97/50/646159750.db2.gz SJEMJSASMCMNFL-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000925482207 646293733 /nfs/dbraw/zinc/29/37/33/646293733.db2.gz MPMBUNMKWPYDJZ-SMDDNHRTSA-N 2 1 234.343 1.844 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925482782 646294106 /nfs/dbraw/zinc/29/41/06/646294106.db2.gz OALMVZZKHGJBIK-AVGNSLFASA-N 2 1 240.391 1.658 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925490058 646298461 /nfs/dbraw/zinc/29/84/61/646298461.db2.gz AITYRILEJVIVPQ-QWRGUYRKSA-N 2 1 237.347 1.979 20 0 BDADMP C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[N@@H+](C)C1CC1 ZINC000925497342 646301081 /nfs/dbraw/zinc/30/10/81/646301081.db2.gz VCMQMJLSXLETAL-AAEUAGOBSA-N 2 1 237.391 1.343 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccccc1 ZINC000925500219 646303791 /nfs/dbraw/zinc/30/37/91/646303791.db2.gz BHVWMQLSICXSFR-CYBMUJFWSA-N 2 1 218.344 1.959 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000925505231 646305685 /nfs/dbraw/zinc/30/56/85/646305685.db2.gz RZIPBNXQBRFTBB-MXWKQRLJSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCOC2CC2)CC[N@@H+]1C ZINC000929782927 646308911 /nfs/dbraw/zinc/30/89/11/646308911.db2.gz NFCXQEYCDLPBCU-NWDGAFQWSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCOC2CC2)CC[N@H+]1C ZINC000929782927 646308915 /nfs/dbraw/zinc/30/89/15/646308915.db2.gz NFCXQEYCDLPBCU-NWDGAFQWSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCOC2CC2)CC[NH+]1C ZINC000929782927 646308918 /nfs/dbraw/zinc/30/89/18/646308918.db2.gz NFCXQEYCDLPBCU-NWDGAFQWSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCOC2CC2)CC[NH+]1C ZINC000929782927 646308920 /nfs/dbraw/zinc/30/89/20/646308920.db2.gz NFCXQEYCDLPBCU-NWDGAFQWSA-N 2 1 226.364 1.580 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOC2CC2)C1 ZINC000929792291 646321060 /nfs/dbraw/zinc/32/10/60/646321060.db2.gz YVIQYSUIXUXHFN-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925548639 646325980 /nfs/dbraw/zinc/32/59/80/646325980.db2.gz DAWAOHMLOFEQCR-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1CCC[N@@H+](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925548494 646327713 /nfs/dbraw/zinc/32/77/13/646327713.db2.gz CITWUOKPZTVIDN-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925550841 646329379 /nfs/dbraw/zinc/32/93/79/646329379.db2.gz DJTQVXPLFCNYQI-YXCITZCRSA-N 2 1 249.402 1.329 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000925573410 646340375 /nfs/dbraw/zinc/34/03/75/646340375.db2.gz ACUYXAWWJFUFTA-AAEUAGOBSA-N 2 1 236.363 1.083 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000925573411 646341899 /nfs/dbraw/zinc/34/18/99/646341899.db2.gz ACUYXAWWJFUFTA-DGCLKSJQSA-N 2 1 236.363 1.083 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925580502 646343409 /nfs/dbraw/zinc/34/34/09/646343409.db2.gz LCCMANXMIQZRET-QWRGUYRKSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925579350 646344083 /nfs/dbraw/zinc/34/40/83/646344083.db2.gz DHSPGPSAYPRQNX-RYUDHWBXSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000925607746 646358167 /nfs/dbraw/zinc/35/81/67/646358167.db2.gz RQZDGJAPXNACRS-WUHRBBMRSA-N 2 1 226.364 1.268 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925608842 646358395 /nfs/dbraw/zinc/35/83/95/646358395.db2.gz KQUHMVPHNQMYLD-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP C([NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2)C1(C2CC2)CC1 ZINC000925612968 646362108 /nfs/dbraw/zinc/36/21/08/646362108.db2.gz OZXBBSZTZRKZEZ-AAEUAGOBSA-N 2 1 220.360 1.860 20 0 BDADMP C([NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2)C1(C2CC2)CC1 ZINC000925612968 646362112 /nfs/dbraw/zinc/36/21/12/646362112.db2.gz OZXBBSZTZRKZEZ-AAEUAGOBSA-N 2 1 220.360 1.860 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925625275 646371843 /nfs/dbraw/zinc/37/18/43/646371843.db2.gz HGCUWDVDBBNKLB-UPJWGTAASA-N 2 1 242.407 1.760 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000925641445 646382929 /nfs/dbraw/zinc/38/29/29/646382929.db2.gz YCQMYOUUCDOYKT-PYJNHQTQSA-N 2 1 238.375 1.674 20 0 BDADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925642705 646384548 /nfs/dbraw/zinc/38/45/48/646384548.db2.gz IIPSYHKMYVMETR-UTUOFQBUSA-N 2 1 224.348 1.164 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000925642422 646385045 /nfs/dbraw/zinc/38/50/45/646385045.db2.gz SIMIURVKLDUVHO-LLVKDONJSA-N 2 1 226.364 1.269 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C12CCC2 ZINC000925667203 646397722 /nfs/dbraw/zinc/39/77/22/646397722.db2.gz AORDABWWLNXTIQ-WQAKAFBOSA-N 2 1 246.358 1.127 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925669111 646399957 /nfs/dbraw/zinc/39/99/57/646399957.db2.gz OZRSJGHLGWTCGT-YNEHKIRRSA-N 2 1 239.407 1.575 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925668605 646400901 /nfs/dbraw/zinc/40/09/01/646400901.db2.gz IOOJVYYFLRSZPW-QWHCGFSZSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925674260 646402420 /nfs/dbraw/zinc/40/24/20/646402420.db2.gz QQFCKHDLIXDMEQ-GMTAPVOTSA-N 2 1 210.321 1.038 20 0 BDADMP CC(C)(CO)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925681092 646409686 /nfs/dbraw/zinc/40/96/86/646409686.db2.gz WBROEWALYJGWIE-LLVKDONJSA-N 2 1 226.364 1.269 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925683989 646411197 /nfs/dbraw/zinc/41/11/97/646411197.db2.gz CKWVBSIOGNOAAC-UPJWGTAASA-N 2 1 238.375 1.818 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925687031 646413231 /nfs/dbraw/zinc/41/32/31/646413231.db2.gz YRKDMBZSWQHEGO-DJQKSGLPSA-N 2 1 236.359 1.140 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000925688109 646414521 /nfs/dbraw/zinc/41/45/21/646414521.db2.gz CZYHGRIWPOWXIY-LOWDOPEQSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689530 646416203 /nfs/dbraw/zinc/41/62/03/646416203.db2.gz BLPMFWOYJJWEEH-QWHCGFSZSA-N 3 1 241.423 1.870 20 0 BDADMP CC1(C)C[C@@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]([NH3+])C1 ZINC000925697812 646423259 /nfs/dbraw/zinc/42/32/59/646423259.db2.gz AOOUMCQPHXSZGO-LOWDOPEQSA-N 2 1 239.407 1.752 20 0 BDADMP CC(C)([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925699314 646423307 /nfs/dbraw/zinc/42/33/07/646423307.db2.gz NUZYLIDVKNCZPG-ZDUSSCGKSA-N 2 1 235.375 1.794 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[NH2+]2 ZINC000925699933 646423943 /nfs/dbraw/zinc/42/39/43/646423943.db2.gz MFYJUDCLQNKWHL-HUXGKSLCSA-N 3 1 237.391 1.375 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000925701651 646425730 /nfs/dbraw/zinc/42/57/30/646425730.db2.gz CUDWJEVVEPKNCX-NDBYEHHHSA-N 3 1 225.380 1.057 20 0 BDADMP CCn1nccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925715627 646440507 /nfs/dbraw/zinc/44/05/07/646440507.db2.gz FQFIWHQMYJOGRH-VXGBXAGGSA-N 2 1 234.347 1.263 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)C12CCC2 ZINC000925723479 646448315 /nfs/dbraw/zinc/44/83/15/646448315.db2.gz WEQKELDYRGJWMK-MNOVXSKESA-N 2 1 235.306 1.580 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccnn1C ZINC000925726996 646451804 /nfs/dbraw/zinc/45/18/04/646451804.db2.gz BHMRFANKYLYDFP-MVWJERBFSA-N 2 1 234.347 1.341 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925726183 646452234 /nfs/dbraw/zinc/45/22/34/646452234.db2.gz FVCHYRRDXDVTNL-ZUWCUPBKSA-N 2 1 249.402 1.377 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729232 646453589 /nfs/dbraw/zinc/45/35/89/646453589.db2.gz ZHEBSTXFQFSEGY-CDGCEXEKSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@H]([NH3+])[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729232 646453596 /nfs/dbraw/zinc/45/35/96/646453596.db2.gz ZHEBSTXFQFSEGY-CDGCEXEKSA-N 2 1 233.359 1.402 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000925729717 646454111 /nfs/dbraw/zinc/45/41/11/646454111.db2.gz LINQJXVRBRBBME-NDKCEZKHSA-N 2 1 238.375 1.674 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925780761 646464374 /nfs/dbraw/zinc/46/43/74/646464374.db2.gz BOWOVFYIIJDKHS-DDHJBXDOSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925772920 646472461 /nfs/dbraw/zinc/47/24/61/646472461.db2.gz XQKXVVWSQQYDFY-YGRLFVJLSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925775287 646475681 /nfs/dbraw/zinc/47/56/81/646475681.db2.gz PGDFWGAINMCOBV-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1c[nH+]ccc1N ZINC000925802113 646486591 /nfs/dbraw/zinc/48/65/91/646486591.db2.gz DPVZVGNQTYMKAU-GRYCIOLGSA-N 3 1 248.374 1.390 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925822210 646495643 /nfs/dbraw/zinc/49/56/43/646495643.db2.gz JZUGKRPJMNPRGG-JOLBHGKHSA-N 2 1 208.349 1.761 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829674 646499719 /nfs/dbraw/zinc/49/97/19/646499719.db2.gz FUAFYKBMCLVURI-HPCHECBXSA-N 2 1 236.359 1.308 20 0 BDADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000925830454 646500126 /nfs/dbraw/zinc/50/01/26/646500126.db2.gz DVFXRWNLRPQKMM-XLPZGREQSA-N 2 1 208.227 1.136 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCS1 ZINC000925862265 646515429 /nfs/dbraw/zinc/51/54/29/646515429.db2.gz ZIDQWSIVVADDMC-QCNOEVLYSA-N 2 1 228.405 1.858 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926203396 646593545 /nfs/dbraw/zinc/59/35/45/646593545.db2.gz KLPZJPCRGGDUIN-SCRDCRAPSA-N 2 1 231.343 1.907 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000926224418 646598900 /nfs/dbraw/zinc/59/89/00/646598900.db2.gz PFEIPTHCZDVIDV-KZKMVBDOSA-N 2 1 238.375 1.076 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000926224416 646599177 /nfs/dbraw/zinc/59/91/77/646599177.db2.gz PFEIPTHCZDVIDV-CEHFSTBQSA-N 2 1 238.375 1.076 20 0 BDADMP C[C@H]1COC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337985 646618839 /nfs/dbraw/zinc/61/88/39/646618839.db2.gz UUPKGQZVAVAIHC-ABXWRUBCSA-N 2 1 238.375 1.628 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723708910 711535399 /nfs/dbraw/zinc/53/53/99/711535399.db2.gz IUPVRUGEZXWJGF-NSHDSACASA-N 2 1 237.347 1.716 20 0 BDADMP C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1CC[NH3+] ZINC000723881622 711543346 /nfs/dbraw/zinc/54/33/46/711543346.db2.gz BSOMQALPXNFVMG-QWZJGYIASA-N 2 1 202.729 1.656 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOC(F)(F)F ZINC000398196366 711709125 /nfs/dbraw/zinc/70/91/25/711709125.db2.gz VGOXNCSSAGCJQR-BDAKNGLRSA-N 2 1 240.269 1.725 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOC(F)(F)F ZINC000398196366 711709127 /nfs/dbraw/zinc/70/91/27/711709127.db2.gz VGOXNCSSAGCJQR-BDAKNGLRSA-N 2 1 240.269 1.725 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCC(C)(C)O)C[C@]2(C)C1 ZINC000702284103 712044574 /nfs/dbraw/zinc/04/45/74/712044574.db2.gz DLXUIVQMWNNCDF-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCC(C)(C)O)C[C@]2(C)C1 ZINC000702284103 712044575 /nfs/dbraw/zinc/04/45/75/712044575.db2.gz DLXUIVQMWNNCDF-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(C)(C)O)C[C@]2(C)C1 ZINC000702284103 712044577 /nfs/dbraw/zinc/04/45/77/712044577.db2.gz DLXUIVQMWNNCDF-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC000708343020 712189498 /nfs/dbraw/zinc/18/94/98/712189498.db2.gz YJFIASRMCMHGJP-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)C(F)(F)F ZINC000710705108 712254810 /nfs/dbraw/zinc/25/48/10/712254810.db2.gz HZXXMIVGFSAXIW-VIFPVBQESA-N 2 1 242.285 1.361 20 0 BDADMP FC[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000711417784 712299501 /nfs/dbraw/zinc/29/95/01/712299501.db2.gz UCOKXKJHDHMZPS-MNOVXSKESA-N 2 1 200.301 1.277 20 0 BDADMP FC[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000711456747 712304977 /nfs/dbraw/zinc/30/49/77/712304977.db2.gz UBLUKNRHUGKIRX-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCC(C)(C)CO1 ZINC000713596807 712465885 /nfs/dbraw/zinc/46/58/85/712465885.db2.gz OUWIGCPZUNTVCD-LBPRGKRZSA-N 2 1 244.379 1.099 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOC1CC1 ZINC000714970937 712502920 /nfs/dbraw/zinc/50/29/20/712502920.db2.gz PZOSRGOUUMMCLU-YOGCLGLASA-N 2 1 224.348 1.510 20 0 BDADMP C[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@H](C[NH3+])C1CC1 ZINC000715499722 712524058 /nfs/dbraw/zinc/52/40/58/712524058.db2.gz HOEGLEUVXIZTBW-BFHYXJOUSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@H](C[NH3+])C1CC1 ZINC000715499722 712524061 /nfs/dbraw/zinc/52/40/61/712524061.db2.gz HOEGLEUVXIZTBW-BFHYXJOUSA-N 2 1 238.375 1.613 20 0 BDADMP CO[C@@]1(C[NH2+]C2CC[NH+](C)CC2)CCSC1 ZINC000719279060 712803319 /nfs/dbraw/zinc/80/33/19/712803319.db2.gz BGGYXCJSXYZWBP-GFCCVEGCSA-N 2 1 244.404 1.192 20 0 BDADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000719649982 712820810 /nfs/dbraw/zinc/82/08/10/712820810.db2.gz WKSJGIMEMSQEHL-GXTWGEPZSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C)[C@H]2C)CC1 ZINC000719649982 712820811 /nfs/dbraw/zinc/82/08/11/712820811.db2.gz WKSJGIMEMSQEHL-GXTWGEPZSA-N 2 1 239.407 1.541 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000720184366 712828607 /nfs/dbraw/zinc/82/86/07/712828607.db2.gz KTLPDJWUZCJOTD-NWDGAFQWSA-N 2 1 246.395 1.091 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2nocc2C)CC1 ZINC000720375463 712836783 /nfs/dbraw/zinc/83/67/83/712836783.db2.gz QHCRXSAVWALBPI-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720903730 712874868 /nfs/dbraw/zinc/87/48/68/712874868.db2.gz LFPIQLYJARYZLN-QWHCGFSZSA-N 2 1 224.348 1.239 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720903730 712874869 /nfs/dbraw/zinc/87/48/69/712874869.db2.gz LFPIQLYJARYZLN-QWHCGFSZSA-N 2 1 224.348 1.239 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000721909859 710690242 /nfs/dbraw/zinc/69/02/42/710690242.db2.gz CFGZQTSUZHGYBA-MELADBBJSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000721909859 710690245 /nfs/dbraw/zinc/69/02/45/710690245.db2.gz CFGZQTSUZHGYBA-MELADBBJSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721917001 710693086 /nfs/dbraw/zinc/69/30/86/710693086.db2.gz HDPRWQHSSZTKHC-SDDRHHMPSA-N 2 1 214.353 1.327 20 0 BDADMP COC[C@H](C[N@H+]1C[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721917001 710693089 /nfs/dbraw/zinc/69/30/89/710693089.db2.gz HDPRWQHSSZTKHC-SDDRHHMPSA-N 2 1 214.353 1.327 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000723117399 710726435 /nfs/dbraw/zinc/72/64/35/710726435.db2.gz IAYCMOYTEVUDIU-NDBYEHHHSA-N 2 1 208.349 1.716 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000723102817 710726953 /nfs/dbraw/zinc/72/69/53/710726953.db2.gz NHVOPMQJZQCQSQ-GRYCIOLGSA-N 2 1 212.337 1.082 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000723080921 710727016 /nfs/dbraw/zinc/72/70/16/710727016.db2.gz SGCJCITYQZJFQD-FRRDWIJNSA-N 2 1 208.349 1.718 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000723988805 710735391 /nfs/dbraw/zinc/73/53/91/710735391.db2.gz RVMOMTMQPHELLH-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000396542604 710907678 /nfs/dbraw/zinc/90/76/78/710907678.db2.gz BCAVFQCBIABTGR-TZMCWYRMSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000396577474 710907916 /nfs/dbraw/zinc/90/79/16/710907916.db2.gz CZYHGRIWPOWXIY-ZDEQEGDKSA-N 2 1 226.364 1.268 20 0 BDADMP CC[C@H]1C[N@H+](CCC[NH2+]C2CC2)CCS1 ZINC000133092244 710967922 /nfs/dbraw/zinc/96/79/22/710967922.db2.gz XQICAGKMAGZUSH-LBPRGKRZSA-N 2 1 228.405 1.956 20 0 BDADMP CC[C@H]1C[N@@H+](CCC[NH2+]C2CC2)CCS1 ZINC000133092244 710967926 /nfs/dbraw/zinc/96/79/26/710967926.db2.gz XQICAGKMAGZUSH-LBPRGKRZSA-N 2 1 228.405 1.956 20 0 BDADMP CC[C@@H]1C[N@H+](CCC[NH2+]C2CC2)CCS1 ZINC000133092063 710968008 /nfs/dbraw/zinc/96/80/08/710968008.db2.gz XQICAGKMAGZUSH-GFCCVEGCSA-N 2 1 228.405 1.956 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CCS1 ZINC000133092063 710968011 /nfs/dbraw/zinc/96/80/11/710968011.db2.gz XQICAGKMAGZUSH-GFCCVEGCSA-N 2 1 228.405 1.956 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000382945708 710976416 /nfs/dbraw/zinc/97/64/16/710976416.db2.gz SCJCZKIDQQJNFZ-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000383448198 710981740 /nfs/dbraw/zinc/98/17/40/710981740.db2.gz JDRRUIULMFIUOT-JTQLQIEISA-N 2 1 248.317 1.471 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC[N@H+]1C ZINC000385477722 711012782 /nfs/dbraw/zinc/01/27/82/711012782.db2.gz DZHWIIFHIKQSNP-CAJFQKGDSA-N 2 1 249.402 1.055 20 0 BDADMP c1cncc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000385619305 711015714 /nfs/dbraw/zinc/01/57/14/711015714.db2.gz PSRGNPYXLUGCPE-XPABHHOTSA-N 2 1 243.354 1.210 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1C ZINC000380718652 712902695 /nfs/dbraw/zinc/90/26/95/712902695.db2.gz GJBUSZXMCDGGAY-IWSPIJDZSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1C ZINC000380718652 712902696 /nfs/dbraw/zinc/90/26/96/712902696.db2.gz GJBUSZXMCDGGAY-IWSPIJDZSA-N 2 1 206.280 1.699 20 0 BDADMP CC(F)(F)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000390023059 711103979 /nfs/dbraw/zinc/10/39/79/711103979.db2.gz LPAXZYFSLGRFEB-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP CC(F)(F)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000390023127 711104360 /nfs/dbraw/zinc/10/43/60/711104360.db2.gz LPAXZYFSLGRFEB-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP C[C@@H](C[NH2+]Cc1ccc(F)nc1)C[NH+](C)C ZINC000390235249 711109916 /nfs/dbraw/zinc/10/99/16/711109916.db2.gz FTCMOVIIISSPMD-JTQLQIEISA-N 2 1 225.311 1.508 20 0 BDADMP C(CC1CC1)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000394504536 711193633 /nfs/dbraw/zinc/19/36/33/711193633.db2.gz UAZLSXCWYSZRJM-CYBMUJFWSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000396575756 711353901 /nfs/dbraw/zinc/35/39/01/711353901.db2.gz CHMWCGVLROLXHD-VXGBXAGGSA-N 2 1 226.364 1.533 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000396581834 711357078 /nfs/dbraw/zinc/35/70/78/711357078.db2.gz FQTWMVDNJJIFJR-DGCLKSJQSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1nccs1 ZINC000396586567 711357222 /nfs/dbraw/zinc/35/72/22/711357222.db2.gz HURBMGHXMWMINT-QWRGUYRKSA-N 2 1 239.388 1.806 20 0 BDADMP CSC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396639634 711357824 /nfs/dbraw/zinc/35/78/24/711357824.db2.gz IKHSXEFJMRQDRI-UWVGGRQHSA-N 2 1 216.394 1.858 20 0 BDADMP CCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CCOCC1 ZINC000396598665 711359225 /nfs/dbraw/zinc/35/92/25/711359225.db2.gz MKDMIXSQQKSJOT-OLZOCXBDSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000396602698 711359371 /nfs/dbraw/zinc/35/93/71/711359371.db2.gz BJGRAVNUFKNLLE-RYUDHWBXSA-N 3 1 213.369 1.058 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1(C)C ZINC000396604338 711359493 /nfs/dbraw/zinc/35/94/93/711359493.db2.gz OKTFBZBHKZAAPH-WISYIIOYSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000396595156 711359761 /nfs/dbraw/zinc/35/97/61/711359761.db2.gz LGNBXGOBDQHDTD-OCCSQVGLSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000396715117 711367008 /nfs/dbraw/zinc/36/70/08/711367008.db2.gz QYNAHYUXEHZIBP-DGCLKSJQSA-N 3 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000398172666 711403855 /nfs/dbraw/zinc/40/38/55/711403855.db2.gz IRBRMMHHIBKGIT-VIFPVBQESA-N 2 1 240.269 1.454 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000398172666 711403856 /nfs/dbraw/zinc/40/38/56/711403856.db2.gz IRBRMMHHIBKGIT-VIFPVBQESA-N 2 1 240.269 1.454 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000398879134 711416099 /nfs/dbraw/zinc/41/60/99/711416099.db2.gz GSPFETAAMVEQQJ-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CSC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000399994657 711437276 /nfs/dbraw/zinc/43/72/76/711437276.db2.gz IVIPFBQJLNSECD-MNOVXSKESA-N 2 1 214.378 1.566 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000399994657 711437279 /nfs/dbraw/zinc/43/72/79/711437279.db2.gz IVIPFBQJLNSECD-MNOVXSKESA-N 2 1 214.378 1.566 20 0 BDADMP Cc1ccc(OCC[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000384995312 711002910 /nfs/dbraw/zinc/00/29/10/711002910.db2.gz LEGWWRVWJKQEPI-UHFFFAOYSA-N 2 1 234.343 1.795 20 0 BDADMP C[N@@H+](CCCC1CC1)CCN1CC[NH2+]CC1 ZINC000394578123 711195038 /nfs/dbraw/zinc/19/50/38/711195038.db2.gz XNJUNADNSOFXJB-UHFFFAOYSA-N 2 1 225.380 1.014 20 0 BDADMP CC1(C)CC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000395180395 711204710 /nfs/dbraw/zinc/20/47/10/711204710.db2.gz MYRWEPOJSIRWBF-CHWSQXEVSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)CC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000395180395 711204711 /nfs/dbraw/zinc/20/47/11/711204711.db2.gz MYRWEPOJSIRWBF-CHWSQXEVSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000396647650 711362844 /nfs/dbraw/zinc/36/28/44/711362844.db2.gz COQXIOGRCWSKQK-IUCAKERBSA-N 2 1 206.280 1.762 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000396669770 711364401 /nfs/dbraw/zinc/36/44/01/711364401.db2.gz QKAHWDWSYIIOFR-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000396722086 711368394 /nfs/dbraw/zinc/36/83/94/711368394.db2.gz UISSNAOLXZGOLH-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000396723141 711368458 /nfs/dbraw/zinc/36/84/58/711368458.db2.gz USIKJPICBOYDNT-WPRPVWTQSA-N 2 1 218.291 1.762 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)OC ZINC000396729971 711369338 /nfs/dbraw/zinc/36/93/38/711369338.db2.gz XTWKMWQOVNEFDE-QJPTWQEYSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000397604531 711387501 /nfs/dbraw/zinc/38/75/01/711387501.db2.gz ADHNNKXICLDFDZ-QJPTWQEYSA-N 2 1 214.353 1.125 20 0 BDADMP CSC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000399994656 711438035 /nfs/dbraw/zinc/43/80/35/711438035.db2.gz IVIPFBQJLNSECD-GHMZBOCLSA-N 2 1 214.378 1.566 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000399994656 711438039 /nfs/dbraw/zinc/43/80/39/711438039.db2.gz IVIPFBQJLNSECD-GHMZBOCLSA-N 2 1 214.378 1.566 20 0 BDADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711970 711535881 /nfs/dbraw/zinc/53/58/81/711535881.db2.gz BWEPGFUHDIDAEV-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)nc1 ZINC000723713108 711536071 /nfs/dbraw/zinc/53/60/71/711536071.db2.gz SLLCVJHPLVRCGN-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCC[NH2+]C1CC1 ZINC000724177177 711566954 /nfs/dbraw/zinc/56/69/54/711566954.db2.gz BULJQMNRPBEHRN-RYUDHWBXSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000723877633 711542383 /nfs/dbraw/zinc/54/23/83/711542383.db2.gz XFQXPGWXACRGEK-CHWSQXEVSA-N 2 1 233.359 1.868 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000723887928 711543934 /nfs/dbraw/zinc/54/39/34/711543934.db2.gz ZLRSAJYYRLNUDK-LPWJVIDDSA-N 2 1 226.364 1.328 20 0 BDADMP [NH3+]CCC[C@H](NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700942 711710564 /nfs/dbraw/zinc/71/05/64/711710564.db2.gz XQFWMKTZCICUAX-GJZGRUSLSA-N 2 1 247.386 1.794 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000082545716 711716675 /nfs/dbraw/zinc/71/66/75/711716675.db2.gz KBAPCZLUZXITHJ-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000398579711 711727164 /nfs/dbraw/zinc/72/71/64/711727164.db2.gz SQMNRTAEYSJFMX-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP CN(C)c1ccnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000925814300 711754802 /nfs/dbraw/zinc/75/48/02/711754802.db2.gz KFRWHDCPZXPVSK-NWDGAFQWSA-N 2 1 248.374 1.507 20 0 BDADMP C[C@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1C[NH3+] ZINC000251693907 711764204 /nfs/dbraw/zinc/76/42/04/711764204.db2.gz ILFNAAFORSEAOE-AAEUAGOBSA-N 2 1 226.364 1.330 20 0 BDADMP COC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000053174511 711793590 /nfs/dbraw/zinc/79/35/90/711793590.db2.gz ZJYZGAFFDLUKLL-SNVBAGLBSA-N 2 1 212.337 1.238 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000069721272 711893588 /nfs/dbraw/zinc/89/35/88/711893588.db2.gz FEDGTEOJABDKGX-IUCAKERBSA-N 2 1 240.269 1.113 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000069721272 711893589 /nfs/dbraw/zinc/89/35/89/711893589.db2.gz FEDGTEOJABDKGX-IUCAKERBSA-N 2 1 240.269 1.113 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC000721914740 711918146 /nfs/dbraw/zinc/91/81/46/711918146.db2.gz SJVJJXTZBNYODV-QWHCGFSZSA-N 2 1 228.380 1.446 20 0 BDADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCCC[NH2+]C1 ZINC000700402500 711991921 /nfs/dbraw/zinc/99/19/21/711991921.db2.gz COCUVKWIUBHTOE-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCCC[NH2+]C1 ZINC000700402500 711991922 /nfs/dbraw/zinc/99/19/22/711991922.db2.gz COCUVKWIUBHTOE-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP CCc1nc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc(C)[nH+]1 ZINC000703557574 712078473 /nfs/dbraw/zinc/07/84/73/712078473.db2.gz LNZAGDIQOMKMBW-SMDDNHRTSA-N 2 1 246.358 1.393 20 0 BDADMP COC1CC(C[N@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000703817833 712088739 /nfs/dbraw/zinc/08/87/39/712088739.db2.gz LYVSRYPKPMIPDM-UHFFFAOYSA-N 2 1 248.370 1.872 20 0 BDADMP COC1CC(C[N@@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000703817833 712088740 /nfs/dbraw/zinc/08/87/40/712088740.db2.gz LYVSRYPKPMIPDM-UHFFFAOYSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705164023 712124675 /nfs/dbraw/zinc/12/46/75/712124675.db2.gz DMGLUGNGBLJOLF-MCIONIFRSA-N 3 1 239.407 1.116 20 0 BDADMP CC(C)[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666315 712134768 /nfs/dbraw/zinc/13/47/68/712134768.db2.gz GOLJDRKHKJKUEB-RDBSUJKOSA-N 2 1 240.391 1.277 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCCCO)C[C@]2(C)C1 ZINC000705664819 712135267 /nfs/dbraw/zinc/13/52/67/712135267.db2.gz CBAGGCXDSMLKFM-OKILXGFUSA-N 2 1 240.391 1.423 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](CCCCCO)C[C@]2(C)C1 ZINC000705664819 712135268 /nfs/dbraw/zinc/13/52/68/712135268.db2.gz CBAGGCXDSMLKFM-OKILXGFUSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](CCCCCO)C[C@]2(C)C1 ZINC000705664819 712135269 /nfs/dbraw/zinc/13/52/69/712135269.db2.gz CBAGGCXDSMLKFM-OKILXGFUSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCCCO)C[C@]2(C)C1 ZINC000705664819 712135270 /nfs/dbraw/zinc/13/52/70/712135270.db2.gz CBAGGCXDSMLKFM-OKILXGFUSA-N 2 1 240.391 1.423 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000707525824 712171637 /nfs/dbraw/zinc/17/16/37/712171637.db2.gz UAPFHVKRKRXLPP-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@H+](C[C@H]1CC(C)(C)CO1)[C@H](C[NH3+])C1CC1 ZINC000708325453 712187452 /nfs/dbraw/zinc/18/74/52/712187452.db2.gz WZWGUKDVQXIKMY-VXGBXAGGSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)[C@H](C[NH3+])C1CC1 ZINC000708325453 712187454 /nfs/dbraw/zinc/18/74/54/712187454.db2.gz WZWGUKDVQXIKMY-VXGBXAGGSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000708390164 712191652 /nfs/dbraw/zinc/19/16/52/712191652.db2.gz QOMQXTGLBKHLGW-WISYIIOYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2ccns2)CC[N@H+]1C ZINC000709826015 712228737 /nfs/dbraw/zinc/22/87/37/712228737.db2.gz OSWSUXXEHZAVER-QWRGUYRKSA-N 2 1 239.388 1.758 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO[C@H]1CC1(F)F)C2 ZINC000709882687 712230620 /nfs/dbraw/zinc/23/06/20/712230620.db2.gz QTZYXAZUZNYJNO-NAKRPEOUSA-N 2 1 246.301 1.222 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC000709968851 712236099 /nfs/dbraw/zinc/23/60/99/712236099.db2.gz YDNXVESQVVDGFF-SNVBAGLBSA-N 2 1 225.361 1.227 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000709968851 712236100 /nfs/dbraw/zinc/23/61/00/712236100.db2.gz YDNXVESQVVDGFF-SNVBAGLBSA-N 2 1 225.361 1.227 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711249526 712291326 /nfs/dbraw/zinc/29/13/26/712291326.db2.gz LFFHPBKYVIRZOG-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1NC[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000923435002 712321969 /nfs/dbraw/zinc/32/19/69/712321969.db2.gz CUNQWPPCVADDEK-NWBUJAPZSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOC2CC2)[C@@H]1CC[NH3+] ZINC000711776980 712328823 /nfs/dbraw/zinc/32/88/23/712328823.db2.gz PYLSVRUHZMWSLJ-DGCLKSJQSA-N 2 1 226.364 1.615 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)OC1CC1 ZINC000711786895 712330492 /nfs/dbraw/zinc/33/04/92/712330492.db2.gz QGOOEFUQTDQOSH-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000711798936 712331963 /nfs/dbraw/zinc/33/19/63/712331963.db2.gz IUNLKQHGYSREKZ-UHFFFAOYSA-N 2 1 234.347 1.389 20 0 BDADMP C[C@@H](c1ncccn1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479451 712334265 /nfs/dbraw/zinc/33/42/65/712334265.db2.gz PBCSEKUUSRAOMI-WDEREUQCSA-N 2 1 220.320 1.208 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479440 712334354 /nfs/dbraw/zinc/33/43/54/712334354.db2.gz OXGISVTZDVYDKM-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712483855 712379038 /nfs/dbraw/zinc/37/90/38/712379038.db2.gz DBOHCYYENRUFQO-UPJWGTAASA-N 2 1 238.375 1.615 20 0 BDADMP C[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCSC1 ZINC000379537408 712387448 /nfs/dbraw/zinc/38/74/48/712387448.db2.gz MIHFUHMGLSSORG-YUMQZZPRSA-N 2 1 224.320 1.406 20 0 BDADMP C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCSC1 ZINC000379537408 712387450 /nfs/dbraw/zinc/38/74/50/712387450.db2.gz MIHFUHMGLSSORG-YUMQZZPRSA-N 2 1 224.320 1.406 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721439875 712390421 /nfs/dbraw/zinc/39/04/21/712390421.db2.gz ZZBBAYYRZKJBDN-BDAKNGLRSA-N 2 1 240.269 1.377 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712581730 712433399 /nfs/dbraw/zinc/43/33/99/712433399.db2.gz NSJVOPDBIAWRDN-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000712581730 712433401 /nfs/dbraw/zinc/43/34/01/712433401.db2.gz NSJVOPDBIAWRDN-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP CC[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712581730 712433405 /nfs/dbraw/zinc/43/34/05/712433405.db2.gz NSJVOPDBIAWRDN-HZSPNIEDSA-N 2 1 237.391 1.297 20 0 BDADMP CCC[NH+]1CCC(NC[C@@H]2CC[N@@H+]2CC)CC1 ZINC000712584871 712434073 /nfs/dbraw/zinc/43/40/73/712434073.db2.gz CEZDBBPLLRRODM-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[NH+]1CCC(NC[C@@H]2CC[N@H+]2CC)CC1 ZINC000712584871 712434074 /nfs/dbraw/zinc/43/40/74/712434074.db2.gz CEZDBBPLLRRODM-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP CCSCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712539301 712443314 /nfs/dbraw/zinc/44/33/14/712443314.db2.gz AHPMFWBTSMUAOQ-UHFFFAOYSA-N 2 1 216.394 1.813 20 0 BDADMP CC(C)COCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713158655 712453505 /nfs/dbraw/zinc/45/35/05/712453505.db2.gz PWJFJSZSSDFQMR-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)COCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713158655 712453506 /nfs/dbraw/zinc/45/35/06/712453506.db2.gz PWJFJSZSSDFQMR-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)[C@H]1CCCO1 ZINC000713219040 712455163 /nfs/dbraw/zinc/45/51/63/712455163.db2.gz XEEPRVLJJVERCB-CYBMUJFWSA-N 2 1 238.375 1.774 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713209486 712455336 /nfs/dbraw/zinc/45/53/36/712455336.db2.gz AVSHLNHFFWNRRX-UHFFFAOYSA-N 2 1 238.375 1.631 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713585667 712466125 /nfs/dbraw/zinc/46/61/25/712466125.db2.gz KSMLQNWNSIQRDJ-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)OC1 ZINC000713597984 712466167 /nfs/dbraw/zinc/46/61/67/712466167.db2.gz XFJLLBSZHJKWCM-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP CC1(C)CC[C@@H](C[N@H+]2CCC[C@H](C[NH3+])C2)OC1 ZINC000713586208 712466423 /nfs/dbraw/zinc/46/64/23/712466423.db2.gz MEPMXBGKDQRULX-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP C=C/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713730719 712470336 /nfs/dbraw/zinc/47/03/36/712470336.db2.gz DLMUEUHBZWSQFT-HNFMAKEJSA-N 2 1 206.333 1.945 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713730719 712470338 /nfs/dbraw/zinc/47/03/38/712470338.db2.gz DLMUEUHBZWSQFT-HNFMAKEJSA-N 2 1 206.333 1.945 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000714437720 712487340 /nfs/dbraw/zinc/48/73/40/712487340.db2.gz PPUIKTXOTSYOGK-KLPPZKSPSA-N 2 1 212.337 1.095 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000714444217 712489141 /nfs/dbraw/zinc/48/91/41/712489141.db2.gz RWACTOFEIOCEDQ-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715411961 712517641 /nfs/dbraw/zinc/51/76/41/712517641.db2.gz BICGWPMYHIIQQE-KBPBESRZSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@]1(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC[NH2+]C1 ZINC000715420209 712518425 /nfs/dbraw/zinc/51/84/25/712518425.db2.gz HASKDBBJSYRFQF-AEJSXWLSSA-N 2 1 216.275 1.183 20 0 BDADMP C[C@]1(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC[NH2+]C1 ZINC000715420209 712518426 /nfs/dbraw/zinc/51/84/26/712518426.db2.gz HASKDBBJSYRFQF-AEJSXWLSSA-N 2 1 216.275 1.183 20 0 BDADMP C([C@H]1CC[C@@H](C2CC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000715492794 712523576 /nfs/dbraw/zinc/52/35/76/712523576.db2.gz AJNBDOILBMXFHR-RQJABVFESA-N 2 1 236.359 1.095 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCCS2)CC1 ZINC000715779116 712532194 /nfs/dbraw/zinc/53/21/94/712532194.db2.gz BDVWAROWWUQFMS-LBPRGKRZSA-N 2 1 228.405 1.956 20 0 BDADMP Cc1[nH]nc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000716459880 712562504 /nfs/dbraw/zinc/56/25/04/712562504.db2.gz BOQRVFNLLRGZCV-QWHCGFSZSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1[nH]nc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000716459880 712562506 /nfs/dbraw/zinc/56/25/06/712562506.db2.gz BOQRVFNLLRGZCV-QWHCGFSZSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000716459880 712562507 /nfs/dbraw/zinc/56/25/07/712562507.db2.gz BOQRVFNLLRGZCV-QWHCGFSZSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000716459880 712562509 /nfs/dbraw/zinc/56/25/09/712562509.db2.gz BOQRVFNLLRGZCV-QWHCGFSZSA-N 2 1 248.374 1.743 20 0 BDADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)C1CC[NH2+]CC1 ZINC000716584375 712564078 /nfs/dbraw/zinc/56/40/78/712564078.db2.gz SSDWRTPAOOGFRW-VIFPVBQESA-N 2 1 245.330 1.758 20 0 BDADMP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)C1CC[NH2+]CC1 ZINC000716620125 712567740 /nfs/dbraw/zinc/56/77/40/712567740.db2.gz PGQQKKQLJVCBBT-SNVBAGLBSA-N 2 1 249.362 1.343 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000038043740 712801401 /nfs/dbraw/zinc/80/14/01/712801401.db2.gz PUPBDGYSXAELDR-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP c1ccc2c(c1)OCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000038041207 712801458 /nfs/dbraw/zinc/80/14/58/712801458.db2.gz VWGDMJFCSLXNSA-ZDUSSCGKSA-N 2 1 232.327 1.852 20 0 BDADMP C[C@@H]1[C@@H](Nc2cc[nH+]cc2Cl)CC[N@@H+]1C ZINC000719570480 712810847 /nfs/dbraw/zinc/81/08/47/712810847.db2.gz OMWBHBSCMFWKBX-SCZZXKLOSA-N 2 1 225.723 1.661 20 0 BDADMP C[C@@H]1[C@@H](Nc2cc[nH+]cc2Cl)CC[N@H+]1C ZINC000719570480 712810849 /nfs/dbraw/zinc/81/08/49/712810849.db2.gz OMWBHBSCMFWKBX-SCZZXKLOSA-N 2 1 225.723 1.661 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1C ZINC000719611181 712816603 /nfs/dbraw/zinc/81/66/03/712816603.db2.gz DTGJHFIEKIQCIM-ZOBORPQBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1C ZINC000719611181 712816606 /nfs/dbraw/zinc/81/66/06/712816606.db2.gz DTGJHFIEKIQCIM-ZOBORPQBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1C ZINC000719611181 712816607 /nfs/dbraw/zinc/81/66/07/712816607.db2.gz DTGJHFIEKIQCIM-ZOBORPQBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1C ZINC000719611181 712816608 /nfs/dbraw/zinc/81/66/08/712816608.db2.gz DTGJHFIEKIQCIM-ZOBORPQBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1C ZINC000719611181 712816609 /nfs/dbraw/zinc/81/66/09/712816609.db2.gz DTGJHFIEKIQCIM-ZOBORPQBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC000719620162 712817417 /nfs/dbraw/zinc/81/74/17/712817417.db2.gz VEWMMZWNKFZYGI-RKFYDKJMSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000719620162 712817418 /nfs/dbraw/zinc/81/74/18/712817418.db2.gz VEWMMZWNKFZYGI-RKFYDKJMSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000719620162 712817419 /nfs/dbraw/zinc/81/74/19/712817419.db2.gz VEWMMZWNKFZYGI-RKFYDKJMSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC000719620162 712817420 /nfs/dbraw/zinc/81/74/20/712817420.db2.gz VEWMMZWNKFZYGI-RKFYDKJMSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC000719620162 712817421 /nfs/dbraw/zinc/81/74/21/712817421.db2.gz VEWMMZWNKFZYGI-RKFYDKJMSA-N 2 1 237.391 1.294 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCc1ccns1 ZINC000719830302 712824129 /nfs/dbraw/zinc/82/41/29/712824129.db2.gz DUSCXOFNYKJUPC-UHFFFAOYSA-N 2 1 213.350 1.227 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1ccns1 ZINC000719830302 712824130 /nfs/dbraw/zinc/82/41/30/712824130.db2.gz DUSCXOFNYKJUPC-UHFFFAOYSA-N 2 1 213.350 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000719784809 712824378 /nfs/dbraw/zinc/82/43/78/712824378.db2.gz YZUSZZUQSSPZJJ-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cc(C)nnc2C)CC[C@@H]1[NH3+] ZINC000720570097 712852305 /nfs/dbraw/zinc/85/23/05/712852305.db2.gz PUGNHJQUVGXFPK-JSGCOSHPSA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cc(C)nnc2C)CC[C@@H]1[NH3+] ZINC000720570097 712852307 /nfs/dbraw/zinc/85/23/07/712852307.db2.gz PUGNHJQUVGXFPK-JSGCOSHPSA-N 2 1 248.374 1.653 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720754987 712863619 /nfs/dbraw/zinc/86/36/19/712863619.db2.gz HOHIVOKHQKHSAF-LBPRGKRZSA-N 2 1 246.354 1.792 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720820798 712868952 /nfs/dbraw/zinc/86/89/52/712868952.db2.gz NJRIGZFFLYHBJZ-MQYQWHSLSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720868392 712872255 /nfs/dbraw/zinc/87/22/55/712872255.db2.gz XWFCJEUDSXMGGX-SRVKXCTJSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720870797 712872269 /nfs/dbraw/zinc/87/22/69/712872269.db2.gz LPTZYMWRLUTZQS-ZOBORPQBSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720875887 712872719 /nfs/dbraw/zinc/87/27/19/712872719.db2.gz XYCXBTIIDFWRDX-ZSLBOAEBSA-N 2 1 238.375 1.613 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720875885 712873075 /nfs/dbraw/zinc/87/30/75/712873075.db2.gz XYCXBTIIDFWRDX-PDWCTOEPSA-N 2 1 238.375 1.613 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720873532 712873380 /nfs/dbraw/zinc/87/33/80/712873380.db2.gz QNLUBGZUGDVYCV-RFQIPJPRSA-N 2 1 238.375 1.615 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1N ZINC001164638104 719229689 /nfs/dbraw/zinc/22/96/89/719229689.db2.gz NFYUKROZCKPCQO-GHMZBOCLSA-N 2 1 234.347 1.501 20 0 BDADMP Cc1cnc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C[NH3+])c1 ZINC001164633416 719225320 /nfs/dbraw/zinc/22/53/20/719225320.db2.gz DLRKJXDEKNQHQC-RYUDHWBXSA-N 2 1 248.374 1.378 20 0 BDADMP CCN1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC001207391274 959624930 /nfs/dbraw/zinc/62/49/30/959624930.db2.gz ARFRMPLWMXWREM-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CC[N@@H+]1CCCN(CC2CC[NH+](C)CC2)CC1 ZINC001207391274 959624938 /nfs/dbraw/zinc/62/49/38/959624938.db2.gz ARFRMPLWMXWREM-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CC[N@H+]1CCCN(CC2CC[NH+](C)CC2)CC1 ZINC001207391274 959624950 /nfs/dbraw/zinc/62/49/50/959624950.db2.gz ARFRMPLWMXWREM-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000708876883 960011168 /nfs/dbraw/zinc/01/11/68/960011168.db2.gz YBFIBKKXXOYUNK-YYHQMBLXSA-N 2 1 226.364 1.469 20 0 BDADMP CCC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001268742204 962330997 /nfs/dbraw/zinc/33/09/97/962330997.db2.gz FLCLPZYAOPUCNY-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)CC2(C)COC2)CC1 ZINC001168324619 964446830 /nfs/dbraw/zinc/44/68/30/964446830.db2.gz RRHADIIOQFRHJT-UHFFFAOYSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CCCC(=O)C2)CC1 ZINC001168324354 964447197 /nfs/dbraw/zinc/44/71/97/964447197.db2.gz MPYPEKWJWFYHKY-UHFFFAOYSA-N 2 1 224.348 1.524 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCCC(=O)C2)CC1 ZINC001168324354 964447206 /nfs/dbraw/zinc/44/72/06/964447206.db2.gz MPYPEKWJWFYHKY-UHFFFAOYSA-N 2 1 224.348 1.524 20 0 BDADMP C[NH+](C)CCCCNc1cc[nH+]c(CN)c1 ZINC001161731072 964714380 /nfs/dbraw/zinc/71/43/80/964714380.db2.gz ZONQASUGJWDWTH-UHFFFAOYSA-N 2 1 222.336 1.294 20 0 BDADMP C[NH+]1CCCC[C@@H]1CO[C@H]1CCC[N@H+](C)C1 ZINC001224701126 964887273 /nfs/dbraw/zinc/88/72/73/964887273.db2.gz CZBUEFKQVDPKJK-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224701126 964887285 /nfs/dbraw/zinc/88/72/85/964887285.db2.gz CZBUEFKQVDPKJK-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224701126 964887287 /nfs/dbraw/zinc/88/72/87/964887287.db2.gz CZBUEFKQVDPKJK-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236170632 966290598 /nfs/dbraw/zinc/29/05/98/966290598.db2.gz XLIDIUYKOBETJZ-STQMWFEESA-N 2 1 242.407 1.987 20 0 BDADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC001236170632 966290607 /nfs/dbraw/zinc/29/06/07/966290607.db2.gz XLIDIUYKOBETJZ-STQMWFEESA-N 2 1 242.407 1.987 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236170710 966291205 /nfs/dbraw/zinc/29/12/05/966291205.db2.gz ZDMLRUUBYALPRR-NSHDSACASA-N 2 1 228.336 1.141 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@H]([NH3+])C1 ZINC001236170710 966291213 /nfs/dbraw/zinc/29/12/13/966291213.db2.gz ZDMLRUUBYALPRR-NSHDSACASA-N 2 1 228.336 1.141 20 0 BDADMP C[NH+](C)CCN1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001276463185 966997513 /nfs/dbraw/zinc/99/75/13/966997513.db2.gz DGUKKKSIXHWVCR-UHFFFAOYSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2[C@@H](C)CC[C@H]2CN)CC1 ZINC001205058703 967315437 /nfs/dbraw/zinc/31/54/37/967315437.db2.gz RYYBWTIRYSGPAU-JSGCOSHPSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+]1CCC(CN2[C@@H](C)CC[C@H]2C[NH3+])CC1 ZINC001205058703 967315449 /nfs/dbraw/zinc/31/54/49/967315449.db2.gz RYYBWTIRYSGPAU-JSGCOSHPSA-N 2 1 239.407 1.530 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094819 967338363 /nfs/dbraw/zinc/33/83/63/967338363.db2.gz QKZQCTUTWIIATB-WDEREUQCSA-N 2 1 216.394 1.941 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(N)c1 ZINC001205332571 967547859 /nfs/dbraw/zinc/54/78/59/967547859.db2.gz RZEONNDFKYGDPQ-NSHDSACASA-N 2 1 219.332 1.453 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(N)c1 ZINC001205332571 967547865 /nfs/dbraw/zinc/54/78/65/967547865.db2.gz RZEONNDFKYGDPQ-NSHDSACASA-N 2 1 219.332 1.453 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603118 967721283 /nfs/dbraw/zinc/72/12/83/967721283.db2.gz NUCVDPIXFQWBHK-STQMWFEESA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1CCCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001205663552 967751005 /nfs/dbraw/zinc/75/10/05/967751005.db2.gz JIOXSLLMWIDZTJ-NEPJUHHUSA-N 2 1 226.364 1.833 20 0 BDADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001205663552 967751010 /nfs/dbraw/zinc/75/10/10/967751010.db2.gz JIOXSLLMWIDZTJ-NEPJUHHUSA-N 2 1 226.364 1.833 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC2CCOCC2)CC1 ZINC001206297652 968205699 /nfs/dbraw/zinc/20/56/99/968205699.db2.gz ZFPJPYNRVQQGDP-CQSZACIVSA-N 2 1 240.391 1.864 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCC2)C[C@@H]1O ZINC001206506817 968342932 /nfs/dbraw/zinc/34/29/32/968342932.db2.gz RJTJSTNAFBGXFA-STQMWFEESA-N 2 1 226.364 1.208 20 0 BDADMP CCCC[C@@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001252076005 968493359 /nfs/dbraw/zinc/49/33/59/968493359.db2.gz GTVLMULSLXVGGA-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001252076005 968493360 /nfs/dbraw/zinc/49/33/60/968493360.db2.gz GTVLMULSLXVGGA-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001252090517 968512045 /nfs/dbraw/zinc/51/20/45/968512045.db2.gz LHJCSGGTTIEHDY-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](CCO)C1 ZINC001207283404 968716150 /nfs/dbraw/zinc/71/61/50/968716150.db2.gz XXDNIXYDDPSXJA-CYBMUJFWSA-N 2 1 242.407 1.669 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001207391954 968744582 /nfs/dbraw/zinc/74/45/82/968744582.db2.gz RPKRTYKEKUNYIB-OLZOCXBDSA-N 2 1 244.354 1.123 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@]1(C)O ZINC001207437006 968769525 /nfs/dbraw/zinc/76/95/25/968769525.db2.gz ZITFFVUNFGVKBD-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479979 968794820 /nfs/dbraw/zinc/79/48/20/968794820.db2.gz RCCSRXIOIZUWIQ-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H]1COCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207486566 968798407 /nfs/dbraw/zinc/79/84/07/968798407.db2.gz KMXVXGCBYMZJDR-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]23CCOC3)CC1 ZINC001208110337 969007605 /nfs/dbraw/zinc/00/76/05/969007605.db2.gz AVIMJBFWTJUABV-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccno2)CC1 ZINC001208602464 969149603 /nfs/dbraw/zinc/14/96/03/969149603.db2.gz FDZYXSBEZVXWRS-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP C[C@H]1COCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607907 969162989 /nfs/dbraw/zinc/16/29/89/969162989.db2.gz NUXNRRMEFDHZDV-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]1COCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607907 969162992 /nfs/dbraw/zinc/16/29/92/969162992.db2.gz NUXNRRMEFDHZDV-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]1COCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607907 969162997 /nfs/dbraw/zinc/16/29/97/969162997.db2.gz NUXNRRMEFDHZDV-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C[C@]1(C)O ZINC001208606850 969166108 /nfs/dbraw/zinc/16/61/08/969166108.db2.gz HVRZWTCHFREGOG-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C[C@]1(C)O ZINC001208606850 969166115 /nfs/dbraw/zinc/16/61/15/969166115.db2.gz HVRZWTCHFREGOG-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C[C@]1(C)O ZINC001208606850 969166118 /nfs/dbraw/zinc/16/61/18/969166118.db2.gz HVRZWTCHFREGOG-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[NH+]1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608073 969167052 /nfs/dbraw/zinc/16/70/52/969167052.db2.gz FOMWXBHLKWYDJO-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2C3CCC2CC3)C1 ZINC001208609480 969167700 /nfs/dbraw/zinc/16/77/00/969167700.db2.gz JYMRIGGKEFGOAW-PNESKVBLSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2C3CCC2CC3)C1 ZINC001208609480 969167705 /nfs/dbraw/zinc/16/77/05/969167705.db2.gz JYMRIGGKEFGOAW-PNESKVBLSA-N 2 1 208.349 1.955 20 0 BDADMP CO[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208613443 969168585 /nfs/dbraw/zinc/16/85/85/969168585.db2.gz UGJZPRXRUDXUAP-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208613443 969168592 /nfs/dbraw/zinc/16/85/92/969168592.db2.gz UGJZPRXRUDXUAP-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C[C@@]1(C)O ZINC001208606849 969165784 /nfs/dbraw/zinc/16/57/84/969165784.db2.gz HVRZWTCHFREGOG-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C[C@@]1(C)O ZINC001208606849 969165789 /nfs/dbraw/zinc/16/57/89/969165789.db2.gz HVRZWTCHFREGOG-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C[C@@]1(C)O ZINC001208606849 969165794 /nfs/dbraw/zinc/16/57/94/969165794.db2.gz HVRZWTCHFREGOG-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+](C)CCC[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC001253441914 969175412 /nfs/dbraw/zinc/17/54/12/969175412.db2.gz WUEVZJFPCAMLEX-GFCCVEGCSA-N 2 1 246.395 1.046 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC001253441914 969175419 /nfs/dbraw/zinc/17/54/19/969175419.db2.gz WUEVZJFPCAMLEX-GFCCVEGCSA-N 2 1 246.395 1.046 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169099126 969392840 /nfs/dbraw/zinc/39/28/40/969392840.db2.gz NTYKRDFNCCTRQQ-UMBVQODESA-N 2 1 224.348 1.379 20 0 BDADMP CCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091675 969408830 /nfs/dbraw/zinc/40/88/30/969408830.db2.gz UNVFMZZTKPDVHH-CLLJXQQHSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001169092265 969413650 /nfs/dbraw/zinc/41/36/50/969413650.db2.gz AXVDXSJFWAVAJL-LPWJVIDDSA-N 2 1 224.348 1.380 20 0 BDADMP COCC1C[NH+](CCC[NH+]2CCCCC2)C1 ZINC001209448003 969519351 /nfs/dbraw/zinc/51/93/51/969519351.db2.gz KNIPHDCQDNEOJJ-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@]2(C)CC[C@H](O)CC2)CC1 ZINC001169241937 969529937 /nfs/dbraw/zinc/52/99/37/969529937.db2.gz VBPRUEBWEBJDSQ-HDJSIYSDSA-N 2 1 240.391 1.754 20 0 BDADMP CCN1CCC([N@H+]2CCC[C@@H]2COC)CC1 ZINC001169246658 969535254 /nfs/dbraw/zinc/53/52/54/969535254.db2.gz TWGWLXUUVVHCEP-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2COC)CC1 ZINC001169246658 969535259 /nfs/dbraw/zinc/53/52/59/969535259.db2.gz TWGWLXUUVVHCEP-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2COC)CC1 ZINC001169246658 969535265 /nfs/dbraw/zinc/53/52/65/969535265.db2.gz TWGWLXUUVVHCEP-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC001169245767 969536002 /nfs/dbraw/zinc/53/60/02/969536002.db2.gz IBGCTLBFVGISRL-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC001169245767 969536004 /nfs/dbraw/zinc/53/60/04/969536004.db2.gz IBGCTLBFVGISRL-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP C[N@@H+](CCC1CC1)Cc1c[nH+]ccc1N ZINC001209737541 969598670 /nfs/dbraw/zinc/59/86/70/969598670.db2.gz NRTZERPJSGAOCM-UHFFFAOYSA-N 2 1 205.305 1.726 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@H](C)N1C ZINC001254525718 969720113 /nfs/dbraw/zinc/72/01/13/969720113.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@H](C)N1C ZINC001254525718 969720119 /nfs/dbraw/zinc/72/01/19/969720119.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP CC[C@H]1COCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254526990 969721490 /nfs/dbraw/zinc/72/14/90/969721490.db2.gz VDGGNYCLYYDDQZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@H]1COCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254526990 969721496 /nfs/dbraw/zinc/72/14/96/969721496.db2.gz VDGGNYCLYYDDQZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@H]1COCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254526990 969721502 /nfs/dbraw/zinc/72/15/02/969721502.db2.gz VDGGNYCLYYDDQZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@H]1COCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254526990 969721521 /nfs/dbraw/zinc/72/15/21/969721521.db2.gz VDGGNYCLYYDDQZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+]([C@H]1CCCOC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254533635 969734605 /nfs/dbraw/zinc/73/46/05/969734605.db2.gz NZTGRQCNSBOHIJ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]([C@H]1CCCOC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254533635 969734619 /nfs/dbraw/zinc/73/46/19/969734619.db2.gz NZTGRQCNSBOHIJ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]([C@H]1CCCOC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254533635 969734635 /nfs/dbraw/zinc/73/46/35/969734635.db2.gz NZTGRQCNSBOHIJ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(C[NH3+])CC2)C1 ZINC001255348169 970121669 /nfs/dbraw/zinc/12/16/69/970121669.db2.gz BUASFLZOOIIJGC-QWRGUYRKSA-N 2 1 240.347 1.189 20 0 BDADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H](C)CCCC(C)C ZINC001170067769 970140884 /nfs/dbraw/zinc/14/08/84/970140884.db2.gz COSXBZYRNVQJTO-NEPJUHHUSA-N 2 1 244.379 1.539 20 0 BDADMP CC(C)N(CCC[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC001255468904 970195725 /nfs/dbraw/zinc/19/57/25/970195725.db2.gz ZMMMLPYLDFADAU-LBPRGKRZSA-N 2 1 213.369 1.140 20 0 BDADMP C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC001255489556 970246592 /nfs/dbraw/zinc/24/65/92/970246592.db2.gz PESICASHXGDZHA-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP C[NH+]1CCC[C@@H](N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001255489556 970246599 /nfs/dbraw/zinc/24/65/99/970246599.db2.gz PESICASHXGDZHA-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP C[NH+]1CCC[C@@H](N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001255489556 970246608 /nfs/dbraw/zinc/24/66/08/970246608.db2.gz PESICASHXGDZHA-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H](CC(F)(F)F)[NH2+]CCC[N@@H+](C)CCO ZINC001255646649 970425707 /nfs/dbraw/zinc/42/57/07/970425707.db2.gz QOYZIBXLRUURJC-VIFPVBQESA-N 2 1 242.285 1.231 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001255955566 970587459 /nfs/dbraw/zinc/58/74/59/970587459.db2.gz BTLCRPHLEGCEBO-HZSPNIEDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001255957046 970592074 /nfs/dbraw/zinc/59/20/74/970592074.db2.gz OLPPPDPFBLYFAC-RWMBFGLXSA-N 2 1 246.370 1.512 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001255957046 970592083 /nfs/dbraw/zinc/59/20/83/970592083.db2.gz OLPPPDPFBLYFAC-RWMBFGLXSA-N 2 1 246.370 1.512 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001255957044 970598643 /nfs/dbraw/zinc/59/86/43/970598643.db2.gz OLPPPDPFBLYFAC-AVGNSLFASA-N 2 1 246.370 1.512 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001255957044 970598652 /nfs/dbraw/zinc/59/86/52/970598652.db2.gz OLPPPDPFBLYFAC-AVGNSLFASA-N 2 1 246.370 1.512 20 0 BDADMP C[NH+](C)CCC(C)(C)NC1CC[NH+](C)CC1 ZINC001256197935 970692155 /nfs/dbraw/zinc/69/21/55/970692155.db2.gz VLNFRBIDEMABAZ-UHFFFAOYSA-N 2 1 227.396 1.401 20 0 BDADMP C[NH+]1CCC([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001256202361 970705865 /nfs/dbraw/zinc/70/58/65/970705865.db2.gz WNPPKPGOTBNHKY-TXEJJXNPSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001256202361 970705875 /nfs/dbraw/zinc/70/58/75/970705875.db2.gz WNPPKPGOTBNHKY-TXEJJXNPSA-N 2 1 208.349 1.813 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171495 975064918 /nfs/dbraw/zinc/06/49/18/975064918.db2.gz XMGKHLIQBKAUEV-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP CC1CC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001332866324 975299478 /nfs/dbraw/zinc/29/94/78/975299478.db2.gz QADMGOTYUXYFKM-WXRRBKDZSA-N 2 1 238.375 1.533 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[NH+](CC)CC2)C1 ZINC001173356075 975316340 /nfs/dbraw/zinc/31/63/40/975316340.db2.gz FAQVCPZCZAVETP-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CC[C@@H](N2CCC[N@H+](CC)CC2)C1 ZINC001173356075 975316346 /nfs/dbraw/zinc/31/63/46/975316346.db2.gz FAQVCPZCZAVETP-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CC[C@@H](N2CCC[N@@H+](CC)CC2)C1 ZINC001173356075 975316352 /nfs/dbraw/zinc/31/63/52/975316352.db2.gz FAQVCPZCZAVETP-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001173362979 975337094 /nfs/dbraw/zinc/33/70/94/975337094.db2.gz KMLCUASEAVKWSI-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP CC[N@@H+](CCNc1nccnc1C[NH3+])C(C)C ZINC001337836566 978520286 /nfs/dbraw/zinc/52/02/86/978520286.db2.gz BOFOLPLWGKPWCJ-UHFFFAOYSA-N 2 1 237.351 1.078 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235092814 978974257 /nfs/dbraw/zinc/97/42/57/978974257.db2.gz WSBNBCIFXQMLKS-LLVKDONJSA-N 3 1 247.333 1.046 20 0 BDADMP [NH3+]CCCC[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235092814 978974261 /nfs/dbraw/zinc/97/42/61/978974261.db2.gz WSBNBCIFXQMLKS-LLVKDONJSA-N 2 1 247.333 1.046 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235092814 978974263 /nfs/dbraw/zinc/97/42/63/978974263.db2.gz WSBNBCIFXQMLKS-LLVKDONJSA-N 2 1 247.333 1.046 20 0 BDADMP OCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235425514 979042088 /nfs/dbraw/zinc/04/20/88/979042088.db2.gz LNCYBYFGUCQWMS-KBPBESRZSA-N 2 1 240.391 1.471 20 0 BDADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](CCCC[NH3+])C2 ZINC001235496343 979056499 /nfs/dbraw/zinc/05/64/99/979056499.db2.gz XWAWZWCMNDJJSL-KGLIPLIRSA-N 2 1 240.391 1.864 20 0 BDADMP CC[C@H]1CNCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235769658 979142760 /nfs/dbraw/zinc/14/27/60/979142760.db2.gz TYLKJIBAKZWQGB-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H]1C[NH2+]CCN1CC1(C)CC[NH2+]CC1 ZINC001235769658 979142767 /nfs/dbraw/zinc/14/27/67/979142767.db2.gz TYLKJIBAKZWQGB-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001235981111 979255526 /nfs/dbraw/zinc/25/55/26/979255526.db2.gz UNNJOCKWFFSBOW-XQQFMLRXSA-N 2 1 206.333 1.766 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001236860460 979764182 /nfs/dbraw/zinc/76/41/82/979764182.db2.gz POGXLVLAKKAZSJ-ZDUSSCGKSA-N 3 1 227.396 1.387 20 0 BDADMP CC[C@H]([NH3+])CN(C)CCC1CC[NH+](C)CC1 ZINC001236860460 979764200 /nfs/dbraw/zinc/76/42/00/979764200.db2.gz POGXLVLAKKAZSJ-ZDUSSCGKSA-N 2 1 227.396 1.387 20 0 BDADMP CC[C@H](N)C[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001236860460 979764212 /nfs/dbraw/zinc/76/42/12/979764212.db2.gz POGXLVLAKKAZSJ-ZDUSSCGKSA-N 2 1 227.396 1.387 20 0 BDADMP CC[C@H](N)C[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001236860460 979764223 /nfs/dbraw/zinc/76/42/23/979764223.db2.gz POGXLVLAKKAZSJ-ZDUSSCGKSA-N 2 1 227.396 1.387 20 0 BDADMP CCc1[nH]c(CN2CC[C@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC001203233441 980639034 /nfs/dbraw/zinc/63/90/34/980639034.db2.gz CNQYSOPPQCSRNC-NSHDSACASA-N 2 1 236.363 1.416 20 0 BDADMP CCOC(=O)C[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC001345955657 980716417 /nfs/dbraw/zinc/71/64/17/980716417.db2.gz JJTUUJCFLNYYDZ-JTQLQIEISA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)C[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC001345955657 980716420 /nfs/dbraw/zinc/71/64/20/980716420.db2.gz JJTUUJCFLNYYDZ-JTQLQIEISA-N 2 1 228.336 1.141 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)[C@H](C)O)C1 ZINC001191391029 981024278 /nfs/dbraw/zinc/02/42/78/981024278.db2.gz UCDCSBCSRFSZNJ-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)[C@H](C)O)C1 ZINC001191391029 981024286 /nfs/dbraw/zinc/02/42/86/981024286.db2.gz UCDCSBCSRFSZNJ-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)[C@H](C)O)C1 ZINC001191391029 981024295 /nfs/dbraw/zinc/02/42/95/981024295.db2.gz UCDCSBCSRFSZNJ-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N(CC)CC[NH3+] ZINC001349608935 981595552 /nfs/dbraw/zinc/59/55/52/981595552.db2.gz WDKUIYRQVWVXLG-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CCCCO2)C1 ZINC001205803932 982558326 /nfs/dbraw/zinc/55/83/26/982558326.db2.gz KRSVEXGXNPSDLT-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CCCCO2)C1 ZINC001205803932 982558331 /nfs/dbraw/zinc/55/83/31/982558331.db2.gz KRSVEXGXNPSDLT-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP CC[NH+](CC)CC[C@H](C)Nc1cc(N)[nH+]cn1 ZINC001354497283 983314536 /nfs/dbraw/zinc/31/45/36/983314536.db2.gz SGSQKMBGZIBNBF-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP CC[NH+](CC)CC[C@H](C)Nc1cc(N)nc[nH+]1 ZINC001354497283 983314543 /nfs/dbraw/zinc/31/45/43/983314543.db2.gz SGSQKMBGZIBNBF-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP CC1(C[N@@H+]2CCCC[C@H](N)C2)CC[NH2+]CC1 ZINC001205922935 983323302 /nfs/dbraw/zinc/32/33/02/983323302.db2.gz DUGWTRPYMUDMIJ-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP CC1(C[N@H+]2CCCC[C@H](N)C2)CC[NH2+]CC1 ZINC001205922935 983323311 /nfs/dbraw/zinc/32/33/11/983323311.db2.gz DUGWTRPYMUDMIJ-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC001573506898 984034299 /nfs/dbraw/zinc/03/42/99/984034299.db2.gz VAIIWSHPKPHTFG-MGPQQGTHSA-N 2 1 240.391 1.922 20 0 BDADMP COC(=O)CC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548327 972682751 /nfs/dbraw/zinc/68/27/51/972682751.db2.gz FXUDATRRRYWLJT-DGCLKSJQSA-N 2 1 242.363 1.531 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(CF)C2)CC[NH2+]1 ZINC001246564054 972801310 /nfs/dbraw/zinc/80/13/10/972801310.db2.gz DBQVGNZHAWZGJA-UPJWGTAASA-N 2 1 244.354 1.313 20 0 BDADMP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603285 973184411 /nfs/dbraw/zinc/18/44/11/973184411.db2.gz WOQIEYJWGLFCRQ-NWDGAFQWSA-N 2 1 243.395 1.219 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000402579632 970806431 /nfs/dbraw/zinc/80/64/31/970806431.db2.gz BZKGTQMFYLHWNF-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001256614649 970878066 /nfs/dbraw/zinc/87/80/66/970878066.db2.gz FIMZEIXGTPEAFY-YHWZYXNKSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001256622343 970887002 /nfs/dbraw/zinc/88/70/02/970887002.db2.gz HMHNDUAAMNJCKF-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001256622343 970887006 /nfs/dbraw/zinc/88/70/06/970887006.db2.gz HMHNDUAAMNJCKF-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001256622343 970887014 /nfs/dbraw/zinc/88/70/14/970887014.db2.gz HMHNDUAAMNJCKF-ICIURTGMSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623736 970890696 /nfs/dbraw/zinc/89/06/96/970890696.db2.gz RDBVKLTVUXYCJP-OCIKQUFWSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623736 970890697 /nfs/dbraw/zinc/89/06/97/970890697.db2.gz RDBVKLTVUXYCJP-OCIKQUFWSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256623736 970890698 /nfs/dbraw/zinc/89/06/98/970890698.db2.gz RDBVKLTVUXYCJP-OCIKQUFWSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256623736 970890699 /nfs/dbraw/zinc/89/06/99/970890699.db2.gz RDBVKLTVUXYCJP-OCIKQUFWSA-N 2 1 224.348 1.067 20 0 BDADMP CN([C@H]1CC[N@@H+](C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628221 970893502 /nfs/dbraw/zinc/89/35/02/970893502.db2.gz WUWYPGFOVNOBBB-WJLOJVBCSA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628221 970893510 /nfs/dbraw/zinc/89/35/10/970893510.db2.gz WUWYPGFOVNOBBB-WJLOJVBCSA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628221 970893514 /nfs/dbraw/zinc/89/35/14/970893514.db2.gz WUWYPGFOVNOBBB-WJLOJVBCSA-N 2 1 237.391 1.248 20 0 BDADMP CC(C)[N@@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256689145 970921259 /nfs/dbraw/zinc/92/12/59/970921259.db2.gz QRGYNQZCEQRPKF-UHFFFAOYSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256745568 970977016 /nfs/dbraw/zinc/97/70/16/970977016.db2.gz NNWQBEGPVYOAHP-YUELXQCFSA-N 2 1 245.370 1.506 20 0 BDADMP C[C@H](Cc1ccncc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001256745568 970977019 /nfs/dbraw/zinc/97/70/19/970977019.db2.gz NNWQBEGPVYOAHP-YUELXQCFSA-N 2 1 245.370 1.506 20 0 BDADMP C[C@H](Cc1ccncc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001256745568 970977024 /nfs/dbraw/zinc/97/70/24/970977024.db2.gz NNWQBEGPVYOAHP-YUELXQCFSA-N 2 1 245.370 1.506 20 0 BDADMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256798927 970991786 /nfs/dbraw/zinc/99/17/86/970991786.db2.gz LQUWMRVSWGOKJO-ZNMIVQPWSA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+][C@H]1CC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256798927 970991793 /nfs/dbraw/zinc/99/17/93/970991793.db2.gz LQUWMRVSWGOKJO-ZNMIVQPWSA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+]C1CC(N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904865 971018659 /nfs/dbraw/zinc/01/86/59/971018659.db2.gz NIFKHYFXVVUBDM-OTTFEQOBSA-N 2 1 237.391 1.473 20 0 BDADMP [NH3+]Cc1ncn([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC001256900771 971016285 /nfs/dbraw/zinc/01/62/85/971016285.db2.gz ATSCPJNPXYNRQO-LBPRGKRZSA-N 2 1 249.362 1.316 20 0 BDADMP [NH3+]Cc1ncn([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC001256900771 971016296 /nfs/dbraw/zinc/01/62/96/971016296.db2.gz ATSCPJNPXYNRQO-LBPRGKRZSA-N 2 1 249.362 1.316 20 0 BDADMP C[N@H+]1CC[C@@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224704450 973871788 /nfs/dbraw/zinc/87/17/88/973871788.db2.gz YXEVTHAJHSAGNP-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CC[C@@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224704450 973871798 /nfs/dbraw/zinc/87/17/98/973871798.db2.gz YXEVTHAJHSAGNP-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CC[C@@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224704450 973871804 /nfs/dbraw/zinc/87/18/04/973871804.db2.gz YXEVTHAJHSAGNP-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[C@@H]1CC([NH2+]C(C)(C)C[NH3+])C[C@@H](C)O1 ZINC001257073464 971086573 /nfs/dbraw/zinc/08/65/73/971086573.db2.gz NZNSJFZCDPOKJB-RKDXNWHRSA-N 2 1 200.326 1.269 20 0 BDADMP COC[C@@H]1CC[N@@H+]1C1CC[NH+](C(C)C)CC1 ZINC001257223447 971132835 /nfs/dbraw/zinc/13/28/35/971132835.db2.gz PNTOVPYSRXCNSN-ZDUSSCGKSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2F)CC1 ZINC001257208553 971129613 /nfs/dbraw/zinc/12/96/13/971129613.db2.gz MTQLTVHHSGDIAM-CHWSQXEVSA-N 2 1 244.354 1.576 20 0 BDADMP COC[C@@H]1CC[N@H+]1C1CC[NH+](C(C)C)CC1 ZINC001257223447 971132840 /nfs/dbraw/zinc/13/28/40/971132840.db2.gz PNTOVPYSRXCNSN-ZDUSSCGKSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@H](C)C1C[NH+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257224346 971131534 /nfs/dbraw/zinc/13/15/34/971131534.db2.gz YLDATSOFYCIYHD-GFCCVEGCSA-N 2 1 240.391 1.826 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001257215033 971132341 /nfs/dbraw/zinc/13/23/41/971132341.db2.gz RACQHJGVXHWDFL-TZMCWYRMSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001257215033 971132345 /nfs/dbraw/zinc/13/23/45/971132345.db2.gz RACQHJGVXHWDFL-TZMCWYRMSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)N1CCC([N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001257216794 971133021 /nfs/dbraw/zinc/13/30/21/971133021.db2.gz ITHNHHXCVAHWCY-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001257216794 971133024 /nfs/dbraw/zinc/13/30/24/971133024.db2.gz ITHNHHXCVAHWCY-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)N1CCC([N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001257216795 971135293 /nfs/dbraw/zinc/13/52/93/971135293.db2.gz ITHNHHXCVAHWCY-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001257216795 971135299 /nfs/dbraw/zinc/13/52/99/971135299.db2.gz ITHNHHXCVAHWCY-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)[C@@H]2CCCOC2)CC1 ZINC001257223467 971135841 /nfs/dbraw/zinc/13/58/41/971135841.db2.gz QPRVILUUGWWEGM-CQSZACIVSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC001257223467 971135851 /nfs/dbraw/zinc/13/58/51/971135851.db2.gz QPRVILUUGWWEGM-CQSZACIVSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[C@@H](CC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257247598 971144673 /nfs/dbraw/zinc/14/46/73/971144673.db2.gz XXCNIBPXVMAHSU-GHMZBOCLSA-N 2 1 230.352 1.435 20 0 BDADMP CC(C)c1cccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001170566502 971200099 /nfs/dbraw/zinc/20/00/99/971200099.db2.gz GHFYORJNLRLJEG-WCQYABFASA-N 2 1 249.358 1.994 20 0 BDADMP CC(C)c1cccc(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001170566500 971200539 /nfs/dbraw/zinc/20/05/39/971200539.db2.gz GHFYORJNLRLJEG-DGCLKSJQSA-N 2 1 249.358 1.994 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n(C)n1 ZINC000405228066 971212938 /nfs/dbraw/zinc/21/29/38/971212938.db2.gz FAWDNZNLAJHIQH-NEPJUHHUSA-N 2 1 234.347 1.088 20 0 BDADMP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)ccn1 ZINC000405244013 971219391 /nfs/dbraw/zinc/21/93/91/971219391.db2.gz YFEJVFDARHYEGU-NWDGAFQWSA-N 2 1 247.342 1.450 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cnn(C)c1 ZINC000405334116 971237227 /nfs/dbraw/zinc/23/72/27/971237227.db2.gz XZNZMJLUZBXIEL-MVWJERBFSA-N 2 1 234.347 1.341 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405352397 971241016 /nfs/dbraw/zinc/24/10/16/971241016.db2.gz OZRSJGHLGWTCGT-AGIUHOORSA-N 2 1 239.407 1.575 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCCC1 ZINC001257342554 971251929 /nfs/dbraw/zinc/25/19/29/971251929.db2.gz ILQBIRVJGZEWCJ-LLVKDONJSA-N 2 1 228.336 1.189 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC000405552639 971268866 /nfs/dbraw/zinc/26/88/66/971268866.db2.gz BMQOKMFTWPORER-CYBMUJFWSA-N 2 1 219.332 1.703 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000405677919 971290955 /nfs/dbraw/zinc/29/09/55/971290955.db2.gz SLYLYAFTGHWYGY-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1C ZINC000405661024 971289456 /nfs/dbraw/zinc/28/94/56/971289456.db2.gz NZFAXFLNJHKVMC-CZXHOFHRSA-N 2 1 238.375 1.484 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[C@@](C)([NH3+])C2)c1C ZINC000405793895 971307874 /nfs/dbraw/zinc/30/78/74/971307874.db2.gz RRNCYIUPTVPKID-CQSZACIVSA-N 2 1 249.358 1.630 20 0 BDADMP CC(C)Cc1nnc([C@H]([NH3+])CCCC[NH3+])o1 ZINC001217698461 971333040 /nfs/dbraw/zinc/33/30/40/971333040.db2.gz DGKZHASVSGNLQK-SECBINFHSA-N 2 1 226.324 1.397 20 0 BDADMP CCc1nnc([C@@H]([NH3+])CCCC[NH+](C)C)o1 ZINC001217713478 971353849 /nfs/dbraw/zinc/35/38/49/971353849.db2.gz UXPGKCPKLQAHFL-VIFPVBQESA-N 2 1 226.324 1.364 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OCCCC[NH+](C)C)C1 ZINC001224991505 974123818 /nfs/dbraw/zinc/12/38/18/974123818.db2.gz USOWYMRRXLVZFK-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP CCCCC[C@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257501897 971418869 /nfs/dbraw/zinc/41/88/69/971418869.db2.gz ILUWYRIRTHHGBZ-NWDGAFQWSA-N 2 1 239.363 1.887 20 0 BDADMP FC1(F)C[NH2+]C[C@H]1OCCCC1CC[NH2+]CC1 ZINC001217845102 971441249 /nfs/dbraw/zinc/44/12/49/971441249.db2.gz UBUVQZAOVWRDEO-LLVKDONJSA-N 2 1 248.317 1.390 20 0 BDADMP [NH3+]Cc1cccc(CO[C@@H]2C[NH2+]CC2(F)F)c1 ZINC001217843444 971442244 /nfs/dbraw/zinc/44/22/44/971442244.db2.gz BVXYKCKKHVNQLW-LLVKDONJSA-N 2 1 242.269 1.269 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1C1CCC2(COC2)CC1 ZINC001257899080 971529447 /nfs/dbraw/zinc/52/94/47/971529447.db2.gz IZKDEHQMLOUWIX-LBPRGKRZSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1C1CCC2(COC2)CC1 ZINC001257899080 971529457 /nfs/dbraw/zinc/52/94/57/971529457.db2.gz IZKDEHQMLOUWIX-LBPRGKRZSA-N 2 1 224.348 1.369 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC001258013806 971556682 /nfs/dbraw/zinc/55/66/82/971556682.db2.gz XONKWKLXELZTBG-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001258016708 971559641 /nfs/dbraw/zinc/55/96/41/971559641.db2.gz JVPGEIOAYHAMKY-KBPBESRZSA-N 2 1 238.375 1.580 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001258016708 971559644 /nfs/dbraw/zinc/55/96/44/971559644.db2.gz JVPGEIOAYHAMKY-KBPBESRZSA-N 2 1 238.375 1.580 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[N@H+](CC[NH3+])CCO ZINC001258051414 971575046 /nfs/dbraw/zinc/57/50/46/971575046.db2.gz KGUHQZLPOSSGHJ-STQMWFEESA-N 2 1 230.396 1.700 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001258051414 971575061 /nfs/dbraw/zinc/57/50/61/971575061.db2.gz KGUHQZLPOSSGHJ-STQMWFEESA-N 2 1 230.396 1.700 20 0 BDADMP CC(C)CC[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206154257 974322394 /nfs/dbraw/zinc/32/23/94/974322394.db2.gz ICLYVAGYKXUPDA-GHMZBOCLSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154257 974322405 /nfs/dbraw/zinc/32/24/05/974322405.db2.gz ICLYVAGYKXUPDA-GHMZBOCLSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154257 974322424 /nfs/dbraw/zinc/32/24/24/974322424.db2.gz ICLYVAGYKXUPDA-GHMZBOCLSA-N 2 1 202.317 1.794 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206156765 974329819 /nfs/dbraw/zinc/32/98/19/974329819.db2.gz SPQTWDVJSCKKJV-NWDGAFQWSA-N 2 1 226.295 1.849 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206156765 974329827 /nfs/dbraw/zinc/32/98/27/974329827.db2.gz SPQTWDVJSCKKJV-NWDGAFQWSA-N 2 1 226.295 1.849 20 0 BDADMP COC(=O)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107504 974365532 /nfs/dbraw/zinc/36/55/32/974365532.db2.gz YXAVWSQJRCZVFE-ZSBIGDGJSA-N 2 1 240.347 1.154 20 0 BDADMP C[C@@H](CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103752 974365811 /nfs/dbraw/zinc/36/58/11/974365811.db2.gz XKLOFHMZWKHTNX-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H](CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103752 974365820 /nfs/dbraw/zinc/36/58/20/974365820.db2.gz XKLOFHMZWKHTNX-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCOCC1)C2 ZINC001170777291 971804679 /nfs/dbraw/zinc/80/46/79/971804679.db2.gz WKIMXWYTIQZFJM-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000217893438 971897230 /nfs/dbraw/zinc/89/72/30/971897230.db2.gz PAQBVEORWNXWGZ-CYBMUJFWSA-N 3 1 241.423 1.648 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000217893438 971897234 /nfs/dbraw/zinc/89/72/34/971897234.db2.gz PAQBVEORWNXWGZ-CYBMUJFWSA-N 3 1 241.423 1.648 20 0 BDADMP Cc1ncccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000310126623 971947835 /nfs/dbraw/zinc/94/78/35/971947835.db2.gz WRPRRZWHYKUUKO-UHFFFAOYSA-N 2 1 233.359 1.821 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000310205949 971958499 /nfs/dbraw/zinc/95/84/99/971958499.db2.gz CPWJQPLGUCIOIG-CYBMUJFWSA-N 2 1 234.343 1.953 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)CCO1 ZINC000310244339 971960463 /nfs/dbraw/zinc/96/04/63/971960463.db2.gz UKIFMLRUTCFIAW-QWHCGFSZSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC000310399372 971973045 /nfs/dbraw/zinc/97/30/45/971973045.db2.gz MQPJCTKXNOYUGL-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP CCn1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC000310308103 971969986 /nfs/dbraw/zinc/96/99/86/971969986.db2.gz VWVYKAQNGHPCGZ-GFCCVEGCSA-N 2 1 236.363 1.464 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001246018688 972116841 /nfs/dbraw/zinc/11/68/41/972116841.db2.gz FMZKVJQIQTVNPP-UPJWGTAASA-N 2 1 242.407 1.700 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246031398 972121836 /nfs/dbraw/zinc/12/18/36/972121836.db2.gz PREKOQDQHTZHEJ-FRRDWIJNSA-N 2 1 242.407 1.700 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246029027 972122610 /nfs/dbraw/zinc/12/26/10/972122610.db2.gz KUZZREQFALRXMS-YNEHKIRRSA-N 2 1 246.370 1.689 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246102036 972161786 /nfs/dbraw/zinc/16/17/86/972161786.db2.gz WFAVTJRNHMMIJB-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246102036 972161789 /nfs/dbraw/zinc/16/17/89/972161789.db2.gz WFAVTJRNHMMIJB-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246102036 972161793 /nfs/dbraw/zinc/16/17/93/972161793.db2.gz WFAVTJRNHMMIJB-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106338 972169306 /nfs/dbraw/zinc/16/93/06/972169306.db2.gz PLGHDAOGTGTEAQ-UMVBOHGHSA-N 2 1 247.386 1.990 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCC[N@@H+](C)CC1 ZINC001246108507 972172896 /nfs/dbraw/zinc/17/28/96/972172896.db2.gz IIYZXXUWRZSSRD-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001246108507 972172899 /nfs/dbraw/zinc/17/28/99/972172899.db2.gz IIYZXXUWRZSSRD-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001246108507 972172902 /nfs/dbraw/zinc/17/29/02/972172902.db2.gz IIYZXXUWRZSSRD-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1C[NH2+]CC13CC3)C2 ZINC001246134147 972192241 /nfs/dbraw/zinc/19/22/41/972192241.db2.gz PIDGXXVXDKIMEK-XJFOESAGSA-N 2 1 249.402 1.343 20 0 BDADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c2ccccc21 ZINC001220331886 972212681 /nfs/dbraw/zinc/21/26/81/972212681.db2.gz DZIUNGHKODLZFD-JIMOISOXSA-N 2 1 247.342 1.027 20 0 BDADMP C[N@H+]1CCC[C@H](NC[C@H]2CCC[NH2+]C2)CC1 ZINC001246197662 972215913 /nfs/dbraw/zinc/21/59/13/972215913.db2.gz BSJZOKCNZVFYPO-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC001246197662 972215921 /nfs/dbraw/zinc/21/59/21/972215921.db2.gz BSJZOKCNZVFYPO-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC001246197662 972215926 /nfs/dbraw/zinc/21/59/26/972215926.db2.gz BSJZOKCNZVFYPO-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3cccs3)C[C@@H]2C1 ZINC000193623281 972229717 /nfs/dbraw/zinc/22/97/17/972229717.db2.gz OEGIURPEJXYIAF-TXEJJXNPSA-N 2 1 236.384 1.784 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2C1 ZINC000193623281 972229725 /nfs/dbraw/zinc/22/97/25/972229725.db2.gz OEGIURPEJXYIAF-TXEJJXNPSA-N 2 1 236.384 1.784 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2C1 ZINC000193623281 972229729 /nfs/dbraw/zinc/22/97/29/972229729.db2.gz OEGIURPEJXYIAF-TXEJJXNPSA-N 2 1 236.384 1.784 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CCCC1 ZINC000692946856 956994447 /nfs/dbraw/zinc/99/44/47/956994447.db2.gz XEHBGXJFJDMMGH-MRVWCRGKSA-N 2 1 240.391 1.922 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396704670 957183007 /nfs/dbraw/zinc/18/30/07/957183007.db2.gz OCXZKLILEUXFTG-YFKTTZPYSA-N 2 1 212.337 1.284 20 0 BDADMP COCOCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209023294 957272100 /nfs/dbraw/zinc/27/21/00/957272100.db2.gz JPCMYODZKXLSEN-UHFFFAOYSA-N 2 1 230.352 1.023 20 0 BDADMP COCOCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209023294 957272115 /nfs/dbraw/zinc/27/21/15/957272115.db2.gz JPCMYODZKXLSEN-UHFFFAOYSA-N 2 1 230.352 1.023 20 0 BDADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209410723 957421877 /nfs/dbraw/zinc/42/18/77/957421877.db2.gz ADYLKDWPPRQPES-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209410723 957421890 /nfs/dbraw/zinc/42/18/90/957421890.db2.gz ADYLKDWPPRQPES-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209410723 957421895 /nfs/dbraw/zinc/42/18/95/957421895.db2.gz ADYLKDWPPRQPES-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209410723 957421902 /nfs/dbraw/zinc/42/19/02/957421902.db2.gz ADYLKDWPPRQPES-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP CCOC(=O)C[C@H]1CCC[N@@H+](CCCC[NH3+])C1 ZINC001209856679 957546383 /nfs/dbraw/zinc/54/63/83/957546383.db2.gz MMZWFLAIMBLJJG-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP Cc1cc(NC2CC2)nc(N[C@H]2CC[N@@H+](C)C2)[nH+]1 ZINC001167268560 957608111 /nfs/dbraw/zinc/60/81/11/957608111.db2.gz PJRPUTQRFKQDHV-NSHDSACASA-N 2 1 247.346 1.475 20 0 BDADMP Cc1cc(NC2CC2)nc(N[C@H]2CC[N@H+](C)C2)[nH+]1 ZINC001167268560 957608118 /nfs/dbraw/zinc/60/81/18/957608118.db2.gz PJRPUTQRFKQDHV-NSHDSACASA-N 2 1 247.346 1.475 20 0 BDADMP CC[C@H](N)C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246318532 972284822 /nfs/dbraw/zinc/28/48/22/972284822.db2.gz RQMYYKRXVIOKRH-LBPRGKRZSA-N 2 1 239.407 1.626 20 0 BDADMP FC(F)C1C[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000706421908 957849015 /nfs/dbraw/zinc/84/90/15/957849015.db2.gz CEQZDMIRKBLQSR-ULKQDVFKSA-N 2 1 216.275 1.466 20 0 BDADMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001246477761 972347659 /nfs/dbraw/zinc/34/76/59/972347659.db2.gz KPSYZNZPXAMYEL-MJBXVCDLSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CN1 ZINC000398983261 958472739 /nfs/dbraw/zinc/47/27/39/958472739.db2.gz GEPYCCGYJNPTOE-KXNHARMFSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033031 958493180 /nfs/dbraw/zinc/49/31/80/958493180.db2.gz MUZGLSWZSPBXGG-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CSCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399252674 958583637 /nfs/dbraw/zinc/58/36/37/958583637.db2.gz YCTQMCSBDBJQID-NXEZZACHSA-N 2 1 202.367 1.470 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C[NH2+]1 ZINC001246504374 972365739 /nfs/dbraw/zinc/36/57/39/972365739.db2.gz PUGLIGHPALONAT-VHDGCEQUSA-N 2 1 248.370 1.493 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](OC3CCC3)C2)C1 ZINC000693559741 958800483 /nfs/dbraw/zinc/80/04/83/958800483.db2.gz OLRIYNUOLBIBFC-SCRDCRAPSA-N 2 1 238.375 1.757 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](O)C1 ZINC001207274982 958843366 /nfs/dbraw/zinc/84/33/66/958843366.db2.gz ICQJOTDMWYUHAT-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CCC[C@@H]1O ZINC001207276497 958849519 /nfs/dbraw/zinc/84/95/19/958849519.db2.gz YJMIXRRQYGOVLD-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](CCF)C2)C1 ZINC000693566232 958857043 /nfs/dbraw/zinc/85/70/43/958857043.db2.gz DBLJWHOHQMSDPL-UTUOFQBUSA-N 2 1 214.328 1.795 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]3CCC[C@@H]32)C1 ZINC000693566966 958860255 /nfs/dbraw/zinc/86/02/55/958860255.db2.gz FFEZJLLNEHGDRK-NDBYEHHHSA-N 2 1 208.349 1.988 20 0 BDADMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)sn1 ZINC000690757796 959226112 /nfs/dbraw/zinc/22/61/12/959226112.db2.gz WNKVABINDOWZRN-VIFPVBQESA-N 2 1 241.360 1.322 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232957 972415072 /nfs/dbraw/zinc/41/50/72/972415072.db2.gz ZYDNVNLAASDYAG-DGCLKSJQSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232957 972415079 /nfs/dbraw/zinc/41/50/79/972415079.db2.gz ZYDNVNLAASDYAG-DGCLKSJQSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000708503751 959525962 /nfs/dbraw/zinc/52/59/62/959525962.db2.gz KUWVNMXKWFIVFK-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246531418 972440312 /nfs/dbraw/zinc/44/03/12/972440312.db2.gz QTXKAOSPFHXHBY-KBPBESRZSA-N 3 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@](C)([NH3+])C1 ZINC001246531418 972440314 /nfs/dbraw/zinc/44/03/14/972440314.db2.gz QTXKAOSPFHXHBY-KBPBESRZSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246531418 972440316 /nfs/dbraw/zinc/44/03/16/972440316.db2.gz QTXKAOSPFHXHBY-KBPBESRZSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246531418 972440319 /nfs/dbraw/zinc/44/03/19/972440319.db2.gz QTXKAOSPFHXHBY-KBPBESRZSA-N 2 1 241.423 1.920 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccccn1 ZINC000694068831 959713152 /nfs/dbraw/zinc/71/31/52/959713152.db2.gz LKPDAGXHVHDNRW-GFCCVEGCSA-N 2 1 244.342 1.807 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300028619 959814469 /nfs/dbraw/zinc/81/44/69/959814469.db2.gz JMZAMOFSPQOQHK-ZIAGYGMSSA-N 2 1 240.391 1.598 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2)C[C@H]1C[NH3+] ZINC000708867803 959991335 /nfs/dbraw/zinc/99/13/35/959991335.db2.gz FMFCOEOWEGQCGW-CMPLNLGQSA-N 2 1 220.316 1.419 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCC1=O ZINC001207436932 960087972 /nfs/dbraw/zinc/08/79/72/960087972.db2.gz XCHBZORQSODNSR-LLVKDONJSA-N 2 1 224.348 1.287 20 0 BDADMP C[C@@]1(CO)CC(F)(F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC001207436556 960089882 /nfs/dbraw/zinc/08/98/82/960089882.db2.gz OFBJGURIIVGPCP-NSHDSACASA-N 2 1 248.317 1.078 20 0 BDADMP C[C@@]1(CO)CC(F)(F)C[N@H+]1CC1CC[NH2+]CC1 ZINC001207436556 960089893 /nfs/dbraw/zinc/08/98/93/960089893.db2.gz OFBJGURIIVGPCP-NSHDSACASA-N 2 1 248.317 1.078 20 0 BDADMP CCC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000397045161 960440249 /nfs/dbraw/zinc/44/02/49/960440249.db2.gz DTCSZWMXCDVTNA-KBPBESRZSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000397045161 960440262 /nfs/dbraw/zinc/44/02/62/960440262.db2.gz DTCSZWMXCDVTNA-KBPBESRZSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000397045161 960440274 /nfs/dbraw/zinc/44/02/74/960440274.db2.gz DTCSZWMXCDVTNA-KBPBESRZSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397045161 960440279 /nfs/dbraw/zinc/44/02/79/960440279.db2.gz DTCSZWMXCDVTNA-KBPBESRZSA-N 2 1 240.391 1.706 20 0 BDADMP CCCCCC[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492119 972518926 /nfs/dbraw/zinc/51/89/26/972518926.db2.gz OUSHSDINSCPVIS-KBPBESRZSA-N 2 1 239.407 1.593 20 0 BDADMP COCC[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799599 960577182 /nfs/dbraw/zinc/57/71/82/960577182.db2.gz HGZYNXCXUIHQLO-UHFFFAOYSA-N 2 1 219.288 1.641 20 0 BDADMP COCC[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799599 960577199 /nfs/dbraw/zinc/57/71/99/960577199.db2.gz HGZYNXCXUIHQLO-UHFFFAOYSA-N 2 1 219.288 1.641 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491431 972516564 /nfs/dbraw/zinc/51/65/64/972516564.db2.gz AUHZYXGEFJAERY-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C1CC1N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709429562 960607798 /nfs/dbraw/zinc/60/77/98/960607798.db2.gz YZIYZNOJQJKAAD-PBWFPOADSA-N 2 1 249.402 1.486 20 0 BDADMP O[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709489028 960621066 /nfs/dbraw/zinc/62/10/66/960621066.db2.gz GHQPGBWILSPWKO-ZGVCCVRISA-N 2 1 224.348 1.116 20 0 BDADMP Fc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709493204 960628920 /nfs/dbraw/zinc/62/89/20/960628920.db2.gz PAWCGZUIEYBELR-FUNVUKJBSA-N 2 1 235.306 1.593 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[NH2+]1 ZINC000925701057 960692004 /nfs/dbraw/zinc/69/20/04/960692004.db2.gz UZTRVTUIQFFXNL-LPWJVIDDSA-N 3 1 239.407 1.623 20 0 BDADMP C[NH+]1CCC(O[C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001222504341 972526473 /nfs/dbraw/zinc/52/64/73/972526473.db2.gz RBXMZCSYMXKGSX-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(F)n2)C1 ZINC001206624348 960822419 /nfs/dbraw/zinc/82/24/19/960822419.db2.gz VBTQXHHJYHJPGL-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(F)n2)C1 ZINC001206624348 960822421 /nfs/dbraw/zinc/82/24/21/960822421.db2.gz VBTQXHHJYHJPGL-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000423279189 960860969 /nfs/dbraw/zinc/86/09/69/960860969.db2.gz RRLUFBWKGWRYON-QWRGUYRKSA-N 2 1 222.336 1.360 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCSC[C@@H]1CCO ZINC000689822466 960919287 /nfs/dbraw/zinc/91/92/87/960919287.db2.gz SKRUVZCUSDCTNV-LBPRGKRZSA-N 2 1 246.420 1.305 20 0 BDADMP C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CCC([NH3+])CC1 ZINC001167901184 961607309 /nfs/dbraw/zinc/60/73/09/961607309.db2.gz CNUQVYQEUPHRDN-CFGBPNLYSA-N 2 1 208.349 1.987 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142866649 961808746 /nfs/dbraw/zinc/80/87/46/961808746.db2.gz LUOJVBQDDPXODB-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142866649 961808755 /nfs/dbraw/zinc/80/87/55/961808755.db2.gz LUOJVBQDDPXODB-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP CCc1nc(N2CC3(C2)CCC[NH2+]C3)cc(C)[nH+]1 ZINC000710013618 962216862 /nfs/dbraw/zinc/21/68/62/962216862.db2.gz GKYWNTULAIXKBN-UHFFFAOYSA-N 2 1 246.358 1.537 20 0 BDADMP CCC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001268742203 962331890 /nfs/dbraw/zinc/33/18/90/962331890.db2.gz FLCLPZYAOPUCNY-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP Cc1cccnc1CCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000710589966 962419264 /nfs/dbraw/zinc/41/92/64/962419264.db2.gz JKCJUFDXYBBTID-ZDUSSCGKSA-N 2 1 233.359 1.664 20 0 BDADMP C[C@H](CNc1cc(N)[nH+]cn1)C[NH+]1CCCC1 ZINC000133096622 962563358 /nfs/dbraw/zinc/56/33/58/962563358.db2.gz GMXMEBHKKWHTET-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958513 962827453 /nfs/dbraw/zinc/82/74/53/962827453.db2.gz GHHWMHAZUVFVCF-HLVVYCRESA-N 2 1 238.375 1.362 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2ccsc2C1 ZINC000712307367 962855053 /nfs/dbraw/zinc/85/50/53/962855053.db2.gz ZIPAXGHUTJUZSX-UHFFFAOYSA-N 2 1 210.346 1.845 20 0 BDADMP [NH3+][C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964472 962993174 /nfs/dbraw/zinc/99/31/74/962993174.db2.gz QSEHRYSSSONYCZ-RDGKXADDSA-N 2 1 249.402 1.425 20 0 BDADMP Cc1cc[nH+]c(NCc2noc3c2C[NH2+]CC3)c1 ZINC001155496054 963090845 /nfs/dbraw/zinc/09/08/45/963090845.db2.gz YWSHDTRUHFKPOE-UHFFFAOYSA-N 2 1 244.298 1.636 20 0 BDADMP [NH3+][C@@H]1CN(CC[C@H]2CCCC[NH2+]2)CCC1(F)F ZINC001206656468 963124478 /nfs/dbraw/zinc/12/44/78/963124478.db2.gz LNVSHDMWDYNAMP-GHMZBOCLSA-N 2 1 247.333 1.187 20 0 BDADMP CC(C)[C@H]1CN(c2cc[nH+]cc2CO)CC[N@H+]1C ZINC000895025955 963179014 /nfs/dbraw/zinc/17/90/14/963179014.db2.gz DMILCCKMWVKSOC-CQSZACIVSA-N 2 1 249.358 1.350 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2cc(N)cc[nH+]2)C1 ZINC001156381284 963331001 /nfs/dbraw/zinc/33/10/01/963331001.db2.gz PVQFWOCHJNOVQJ-NSHDSACASA-N 2 1 234.347 1.808 20 0 BDADMP Cc1c[nH+]c(N2CC[C@H]([N@H+](C)C(C)C)C2)cc1N ZINC001157022153 963514876 /nfs/dbraw/zinc/51/48/76/963514876.db2.gz UXUVRXUSANPHKL-LBPRGKRZSA-N 2 1 248.374 1.891 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC000310569059 963542729 /nfs/dbraw/zinc/54/27/29/963542729.db2.gz YRLWBHHUIMPCFG-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP C[N@@H+]1CCC[C@H]2CN(c3cccc(N)[nH+]3)C[C@H]21 ZINC001157263805 963566015 /nfs/dbraw/zinc/56/60/15/963566015.db2.gz CELJMTPZGVIQLE-WDEREUQCSA-N 2 1 232.331 1.194 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(c3cccc(N)[nH+]3)C[C@H]21 ZINC001157263805 963566019 /nfs/dbraw/zinc/56/60/19/963566019.db2.gz CELJMTPZGVIQLE-WDEREUQCSA-N 2 1 232.331 1.194 20 0 BDADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(N)n1 ZINC001157802928 963730074 /nfs/dbraw/zinc/73/00/74/963730074.db2.gz DGUSEYRFMJQVMK-UWVGGRQHSA-N 2 1 235.335 1.344 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N3CC[C@](F)(C[NH3+])C3)c12 ZINC001157809733 963734393 /nfs/dbraw/zinc/73/43/93/963734393.db2.gz SJMYXCURAODVGY-LBPRGKRZSA-N 2 1 249.293 1.143 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C2CCSCC2)CC1 ZINC000725661063 963793387 /nfs/dbraw/zinc/79/33/87/963793387.db2.gz CFRKUHRPDAWWLL-JTQLQIEISA-N 2 1 214.378 1.695 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001168138531 963838640 /nfs/dbraw/zinc/83/86/40/963838640.db2.gz QMQQCWBORMKHHH-VXGBXAGGSA-N 2 1 235.331 1.309 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001168138531 963838643 /nfs/dbraw/zinc/83/86/43/963838643.db2.gz QMQQCWBORMKHHH-VXGBXAGGSA-N 2 1 235.331 1.309 20 0 BDADMP F[C@@H]1CC[NH2+]C[C@@H]1Nc1cccn2c[nH+]cc12 ZINC001168231863 964016998 /nfs/dbraw/zinc/01/69/98/964016998.db2.gz STGPGXTZWZQJJU-KOLCDFICSA-N 2 1 234.278 1.446 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+](C)C[C@H](C)C[NH3+])C2 ZINC001168245322 964054812 /nfs/dbraw/zinc/05/48/12/964054812.db2.gz WRQWEKDRFNNRFM-BXUZGUMPSA-N 2 1 248.370 1.689 20 0 BDADMP CO[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315554 964424141 /nfs/dbraw/zinc/42/41/41/964424141.db2.gz YRCRXEOAWQYLCF-BPCQOVAHSA-N 2 1 226.364 1.580 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001168315557 964425353 /nfs/dbraw/zinc/42/53/53/964425353.db2.gz YVZWIFIYLLWREW-JXQTWKCFSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCCC(=O)CC2)CC1 ZINC001168318960 964435799 /nfs/dbraw/zinc/43/57/99/964435799.db2.gz JHHOCKUEKUDYKA-UHFFFAOYSA-N 2 1 238.375 1.914 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC001168316094 964438533 /nfs/dbraw/zinc/43/85/33/964438533.db2.gz VRKHPWJGGUIWCN-HSBZDZAISA-N 2 1 240.391 1.564 20 0 BDADMP C=Cc1ccc(NCC[NH+]2CCC([NH3+])CC2)nc1 ZINC001161870455 964803208 /nfs/dbraw/zinc/80/32/08/964803208.db2.gz JGRPQLOTMFTNRU-UHFFFAOYSA-N 2 1 246.358 1.560 20 0 BDADMP Cc1ccnc(NCCC[NH2+]CCCC[NH3+])c1 ZINC001162288985 964914085 /nfs/dbraw/zinc/91/40/85/964914085.db2.gz BYAJQMTUWYBAKH-UHFFFAOYSA-N 2 1 236.363 1.521 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224745240 964916913 /nfs/dbraw/zinc/91/69/13/964916913.db2.gz ZBJFQTXIFAAAFK-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]c2ccc3c(=O)[nH]cc-3[nH]2)C1 ZINC001162391466 964953369 /nfs/dbraw/zinc/95/33/69/964953369.db2.gz MQXMXHRPWJGADD-IUCAKERBSA-N 2 1 246.314 1.007 20 0 BDADMP CC[N@H+]1CC[C@@H](OCCC[NH+]2CCCCC2)C1 ZINC001224856117 965030662 /nfs/dbraw/zinc/03/06/62/965030662.db2.gz XEBAQHBOKAMKLY-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP Cc1ccc[nH+]c1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162554775 965044041 /nfs/dbraw/zinc/04/40/41/965044041.db2.gz GSRRLCHKJAXVHN-GHMZBOCLSA-N 2 1 205.305 1.800 20 0 BDADMP C[N@@H+](CC1COC1)C1CC[NH+](CC2CC2)CC1 ZINC001168388027 965116436 /nfs/dbraw/zinc/11/64/36/965116436.db2.gz ZYEYZYZPUXYJDV-UHFFFAOYSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CCO[C@H](CNc2ccc3c(c2)C[NH2+]C3)C1 ZINC001162688708 965122734 /nfs/dbraw/zinc/12/27/34/965122734.db2.gz SRJMCNUKYINQML-CQSZACIVSA-N 2 1 247.342 1.032 20 0 BDADMP C[N@H+]1CCO[C@H](CNc2ccc3c(c2)C[NH2+]C3)C1 ZINC001162688708 965122739 /nfs/dbraw/zinc/12/27/39/965122739.db2.gz SRJMCNUKYINQML-CQSZACIVSA-N 2 1 247.342 1.032 20 0 BDADMP CCc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)cc(C)[nH+]1 ZINC001162796579 965182259 /nfs/dbraw/zinc/18/22/59/965182259.db2.gz FLOOJFFHXDWKPK-IJLUTSLNSA-N 2 1 244.342 1.533 20 0 BDADMP CCCC(C[NH3+])(CCC)Nc1cc(N)[nH+]cn1 ZINC001163040791 965237299 /nfs/dbraw/zinc/23/72/99/965237299.db2.gz RMEHCNGACNFMCR-UHFFFAOYSA-N 2 1 237.351 1.768 20 0 BDADMP Cc1cc[nH+]c(C)c1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163146348 965265099 /nfs/dbraw/zinc/26/50/99/965265099.db2.gz NTHZBNVCPSVFPH-IJLUTSLNSA-N 2 1 233.315 1.097 20 0 BDADMP Cc1ccc[nH+]c1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163159033 965268499 /nfs/dbraw/zinc/26/84/99/965268499.db2.gz FONVAHUJJTYSFW-UPJWGTAASA-N 2 1 247.342 1.426 20 0 BDADMP Nc1cccc(N[C@H](C[NH3+])c2ccccc2)[nH+]1 ZINC001163291891 965327302 /nfs/dbraw/zinc/32/73/02/965327302.db2.gz IONVQYMIKHLHKR-LLVKDONJSA-N 2 1 228.299 1.776 20 0 BDADMP Cn1ccc2c1[nH+]ccc2-n1ccnc1C(N)=[NH2+] ZINC001168420652 965373715 /nfs/dbraw/zinc/37/37/15/965373715.db2.gz XKPABFQJCZJKBH-UHFFFAOYSA-N 2 1 240.270 1.043 20 0 BDADMP C[C@]1(C(F)F)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000698767773 965497381 /nfs/dbraw/zinc/49/73/81/965497381.db2.gz UZHZSUNEBMUERX-WCABBAIRSA-N 2 1 234.290 1.080 20 0 BDADMP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(N2CCCC2)n1 ZINC001163773772 965576412 /nfs/dbraw/zinc/57/64/12/965576412.db2.gz WKDVNNICCNTKCS-NSHDSACASA-N 2 1 249.362 1.439 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(Cl)n1 ZINC000698884811 965584072 /nfs/dbraw/zinc/58/40/72/965584072.db2.gz YLQUIWFQSLNIIH-UHFFFAOYSA-N 2 1 243.738 1.142 20 0 BDADMP C[C@@H](C[NH+](C)C)Nc1ccc2[nH]c[nH+]c2c1 ZINC001163782745 965587698 /nfs/dbraw/zinc/58/76/98/965587698.db2.gz PUYLPYUAYQHSKV-VIFPVBQESA-N 2 1 218.304 1.925 20 0 BDADMP Cc1cc(C[NH3+])nn1-c1cn2cc[nH+]c2cc1C ZINC001163984817 965679421 /nfs/dbraw/zinc/67/94/21/965679421.db2.gz CELPXESWGQMUDG-UHFFFAOYSA-N 2 1 241.298 1.596 20 0 BDADMP CC(C)N(CCC[NH3+])c1c[nH+]c2c(c1)CCCN2 ZINC001164128901 965749013 /nfs/dbraw/zinc/74/90/13/965749013.db2.gz NZOQTOJKYRKGHY-UHFFFAOYSA-N 2 1 248.374 1.609 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000699211100 965815975 /nfs/dbraw/zinc/81/59/75/965815975.db2.gz POBBDEFGVAFFFF-RLAWYHOSSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3cccnc3[nH]2)CC1 ZINC001205109717 965830361 /nfs/dbraw/zinc/83/03/61/965830361.db2.gz JZBVGIHITPECJI-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@H]2CC)C1 ZINC000699485284 965909796 /nfs/dbraw/zinc/90/97/96/965909796.db2.gz OEBKMRWOZVLXID-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC001205131207 965937865 /nfs/dbraw/zinc/93/78/65/965937865.db2.gz UHWHGTVBOBAEMX-QWHCGFSZSA-N 3 1 239.407 1.245 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000699552771 965967606 /nfs/dbraw/zinc/96/76/06/965967606.db2.gz LLGIZANELJUNEW-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000699552772 965969204 /nfs/dbraw/zinc/96/92/04/965969204.db2.gz LLGIZANELJUNEW-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]c1C ZINC001165146837 965971656 /nfs/dbraw/zinc/97/16/56/965971656.db2.gz GBQDOSSXJVZNKF-BETUJISGSA-N 2 1 231.343 1.696 20 0 BDADMP Cc1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]c1C ZINC001165146837 965971668 /nfs/dbraw/zinc/97/16/68/965971668.db2.gz GBQDOSSXJVZNKF-BETUJISGSA-N 2 1 231.343 1.696 20 0 BDADMP Cc1c[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)cc1C ZINC001165149281 965977442 /nfs/dbraw/zinc/97/74/42/965977442.db2.gz MIMXGWLFJWKAAO-CHWSQXEVSA-N 2 1 231.343 1.696 20 0 BDADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000715228921 965982181 /nfs/dbraw/zinc/98/21/81/965982181.db2.gz PABXELCQXMYIFU-MRFVTOPCSA-N 2 1 239.407 1.386 20 0 BDADMP Nc1ccc[nH+]c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165236581 966001257 /nfs/dbraw/zinc/00/12/57/966001257.db2.gz LEOMOTAXXQYJDW-ZDUSSCGKSA-N 2 1 232.331 1.244 20 0 BDADMP C/C=C(\NC=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165263121 966012806 /nfs/dbraw/zinc/01/28/06/966012806.db2.gz ZSJIYPHZJDDNFH-AAJBVFMISA-N 2 1 224.352 1.366 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2cccc(C[NH3+])n2)C1 ZINC001165289419 966028363 /nfs/dbraw/zinc/02/83/63/966028363.db2.gz AORQILARDVDETL-LBPRGKRZSA-N 2 1 248.374 1.684 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2cccc(C[NH3+])n2)C1 ZINC001165289418 966031514 /nfs/dbraw/zinc/03/15/14/966031514.db2.gz AORQILARDVDETL-GFCCVEGCSA-N 2 1 248.374 1.684 20 0 BDADMP Nc1ccc[nH+]c1N1CCCCC12CC[NH2+]CC2 ZINC001165334700 966058394 /nfs/dbraw/zinc/05/83/94/966058394.db2.gz JVFZLVIHTCBNLC-UHFFFAOYSA-N 2 1 246.358 1.776 20 0 BDADMP Cc1[nH+]cc2n1CCN(c1cccc(N)[nH+]1)C2 ZINC001165384083 966074812 /nfs/dbraw/zinc/07/48/12/966074812.db2.gz CWTQIYKBDYSEKW-UHFFFAOYSA-N 2 1 229.287 1.189 20 0 BDADMP Cc1cccc(CC[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206711051 966195670 /nfs/dbraw/zinc/19/56/70/966195670.db2.gz DMFJTSTXWPGZIZ-UHFFFAOYSA-N 2 1 218.344 1.818 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1Nc1[nH+]ccn1C ZINC001206714695 966270892 /nfs/dbraw/zinc/27/08/92/966270892.db2.gz PBYIIJBNILQVGE-UHFFFAOYSA-N 2 1 231.303 1.933 20 0 BDADMP CCc1cc(N(C)C[C@@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC001166955895 966482414 /nfs/dbraw/zinc/48/24/14/966482414.db2.gz KHEJMNHCPRDIES-LLVKDONJSA-N 2 1 234.347 1.393 20 0 BDADMP CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001485750776 966634137 /nfs/dbraw/zinc/63/41/37/966634137.db2.gz ATQIFQDJSYFORA-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP [NH3+]CCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380764 966655596 /nfs/dbraw/zinc/65/55/96/966655596.db2.gz HKRUKVNEITXBOX-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380764 966655607 /nfs/dbraw/zinc/65/56/07/966655607.db2.gz HKRUKVNEITXBOX-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP CS[C@H](C)CC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210624 966847242 /nfs/dbraw/zinc/84/72/42/966847242.db2.gz QDXIWKMPWPWURP-VXGBXAGGSA-N 2 1 246.420 1.304 20 0 BDADMP CCC1(Nc2cccn3c[nH+]cc23)C[NH2+]C1 ZINC001168582731 966926797 /nfs/dbraw/zinc/92/67/97/966926797.db2.gz YYRMPVXGBYNYHW-UHFFFAOYSA-N 2 1 216.288 1.498 20 0 BDADMP Cc1[nH+]cc(Nc2c[nH+]c(N)c(C)c2)n1C ZINC001249785197 967064492 /nfs/dbraw/zinc/06/44/92/967064492.db2.gz ZSHDDDJNWWAJNS-UHFFFAOYSA-N 2 1 217.276 1.758 20 0 BDADMP CS[C@H](C)CC[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763027 967155765 /nfs/dbraw/zinc/15/57/65/967155765.db2.gz FGSXBBSXQXFMMI-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP CS[C@H](C)CC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763027 967155779 /nfs/dbraw/zinc/15/57/79/967155779.db2.gz FGSXBBSXQXFMMI-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204763932 967150267 /nfs/dbraw/zinc/15/02/67/967150267.db2.gz TZDPZFWYUHCMCF-ZDUSSCGKSA-N 3 1 225.380 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204763932 967150276 /nfs/dbraw/zinc/15/02/76/967150276.db2.gz TZDPZFWYUHCMCF-ZDUSSCGKSA-N 3 1 225.380 1.141 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000715560171 967160570 /nfs/dbraw/zinc/16/05/70/967160570.db2.gz YWSVDNOYVKXQOZ-XJFOESAGSA-N 3 1 239.407 1.589 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000691348066 967253970 /nfs/dbraw/zinc/25/39/70/967253970.db2.gz BPBPMUXSKIXZIL-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000691351646 967262424 /nfs/dbraw/zinc/26/24/24/967262424.db2.gz UFUALMYCABXRBB-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccn3nccc3c2)CC1 ZINC001205124592 967372256 /nfs/dbraw/zinc/37/22/56/967372256.db2.gz WCRVNLJEURQKPW-CYBMUJFWSA-N 2 1 244.342 1.648 20 0 BDADMP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccn1 ZINC001205130923 967376696 /nfs/dbraw/zinc/37/66/96/967376696.db2.gz QCGQBTOGEBQDQC-CYBMUJFWSA-N 2 1 249.358 1.794 20 0 BDADMP CCOc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccn1 ZINC001205130923 967376707 /nfs/dbraw/zinc/37/67/07/967376707.db2.gz QCGQBTOGEBQDQC-CYBMUJFWSA-N 2 1 249.358 1.794 20 0 BDADMP Cc1c(O)cccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146389 967387241 /nfs/dbraw/zinc/38/72/41/967387241.db2.gz TZUNSHJGMWIZHM-GXFFZTMASA-N 2 1 234.343 1.727 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccn1 ZINC001205220617 967430379 /nfs/dbraw/zinc/43/03/79/967430379.db2.gz LSPGXGBNZZQVJJ-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccnc2)CC1 ZINC001205264312 967457006 /nfs/dbraw/zinc/45/70/06/967457006.db2.gz JWXNUVOFDKLKGY-ZDUSSCGKSA-N 2 1 219.332 1.785 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]ccc2=O)CC1 ZINC001205288849 967479279 /nfs/dbraw/zinc/47/92/79/967479279.db2.gz PBAFSEQDEPVBGR-ZDUSSCGKSA-N 2 1 235.331 1.078 20 0 BDADMP COCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545447 967687384 /nfs/dbraw/zinc/68/73/84/967687384.db2.gz HKFSPZGUKJONHS-LLVKDONJSA-N 2 1 218.316 1.176 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001205539385 967657893 /nfs/dbraw/zinc/65/78/93/967657893.db2.gz YDSGHVIJZFFGDR-NEPJUHHUSA-N 2 1 230.327 1.176 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC001205538818 967683999 /nfs/dbraw/zinc/68/39/99/967683999.db2.gz PTTXDKRDKDZWKD-CHWSQXEVSA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ncccn2)CC1 ZINC001205545300 967689824 /nfs/dbraw/zinc/68/98/24/967689824.db2.gz CIXSNHBFKASDLM-LBPRGKRZSA-N 2 1 238.310 1.130 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ncccn2)CC1 ZINC001205545300 967689853 /nfs/dbraw/zinc/68/98/53/967689853.db2.gz CIXSNHBFKASDLM-LBPRGKRZSA-N 2 1 238.310 1.130 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cocn2)CC[C@@H]1C[NH3+] ZINC001205628502 967716656 /nfs/dbraw/zinc/71/66/56/967716656.db2.gz VRPGIZFBLBBYOY-WDEREUQCSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205603629 967717503 /nfs/dbraw/zinc/71/75/03/967717503.db2.gz RIKVDRRUICXEPC-NEPJUHHUSA-N 3 1 213.369 1.032 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)COC2)CC[C@H]1C[NH3+] ZINC001205603107 967717889 /nfs/dbraw/zinc/71/78/89/967717889.db2.gz NRVBGIMSTOSIGD-NEPJUHHUSA-N 2 1 226.364 1.330 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)[nH]n1 ZINC001205603030 967720408 /nfs/dbraw/zinc/72/04/08/967720408.db2.gz NAUANJDNHJGTHH-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)n[nH]1 ZINC001205603030 967720413 /nfs/dbraw/zinc/72/04/13/967720413.db2.gz NAUANJDNHJGTHH-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)n[nH]1 ZINC001205603030 967720422 /nfs/dbraw/zinc/72/04/22/967720422.db2.gz NAUANJDNHJGTHH-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncn2)CC[C@@H]1C[NH3+] ZINC001205627494 967735975 /nfs/dbraw/zinc/73/59/75/967735975.db2.gz QCUODUKSGPGXCS-NWDGAFQWSA-N 2 1 234.347 1.283 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)nc1 ZINC001205654549 967740485 /nfs/dbraw/zinc/74/04/85/967740485.db2.gz XEDIUVCVCSHLFN-STQMWFEESA-N 2 1 248.374 1.592 20 0 BDADMP Cc1cccnc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205671853 967765622 /nfs/dbraw/zinc/76/56/22/967765622.db2.gz FIQZYOMOURRCHJ-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000694337047 967802596 /nfs/dbraw/zinc/80/25/96/967802596.db2.gz YDUHQBKHHHNQGQ-LLUNPGSJSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@H+](Cc2cc[nH]c2)C1 ZINC001205827982 967842380 /nfs/dbraw/zinc/84/23/80/967842380.db2.gz IXGVUSVWBQLMFQ-CMPLNLGQSA-N 2 1 207.321 1.574 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc[nH]c2)C1 ZINC001205827982 967842384 /nfs/dbraw/zinc/84/23/84/967842384.db2.gz IXGVUSVWBQLMFQ-CMPLNLGQSA-N 2 1 207.321 1.574 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc[nH]c2)C1 ZINC001205827982 967842385 /nfs/dbraw/zinc/84/23/85/967842385.db2.gz IXGVUSVWBQLMFQ-CMPLNLGQSA-N 2 1 207.321 1.574 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205863428 967862095 /nfs/dbraw/zinc/86/20/95/967862095.db2.gz SCAHYUUPGHOGBC-VWYCJHECSA-N 2 1 216.394 1.797 20 0 BDADMP CN(C)c1nc(NCCCC[NH+](C)C)cc[nH+]1 ZINC000085431597 967879472 /nfs/dbraw/zinc/87/94/72/967879472.db2.gz IDXSIQZZPUJCBC-UHFFFAOYSA-N 2 1 237.351 1.296 20 0 BDADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205945735 967897996 /nfs/dbraw/zinc/89/79/96/967897996.db2.gz DCCJZSGOJUTVRG-ZIAGYGMSSA-N 2 1 234.343 1.197 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)[C@@H]1CCC[NH3+] ZINC000694630218 967906629 /nfs/dbraw/zinc/90/66/29/967906629.db2.gz PWLXDQYZTCATIF-DGCLKSJQSA-N 2 1 236.363 1.749 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cn[nH]c2)CCC[C@@H]1C[NH3+] ZINC001205981821 967926843 /nfs/dbraw/zinc/92/68/43/967926843.db2.gz HPPWMDDSTCGRHO-CMPLNLGQSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncccc2[O-])CCC[C@@H]1C[NH3+] ZINC001205992596 967942344 /nfs/dbraw/zinc/94/23/44/967942344.db2.gz FPFBQOLPXOQBMA-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ncccc2O)CCC[C@@H]1C[NH3+] ZINC001205992596 967942357 /nfs/dbraw/zinc/94/23/57/967942357.db2.gz FPFBQOLPXOQBMA-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncccc2O)CCC[C@@H]1C[NH3+] ZINC001205992596 967942374 /nfs/dbraw/zinc/94/23/74/967942374.db2.gz FPFBQOLPXOQBMA-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CCC[C@@H]1C[NH3+] ZINC001205996160 967950198 /nfs/dbraw/zinc/95/01/98/967950198.db2.gz VOHAPINWGRKFRN-NWDGAFQWSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2)CCC[C@H]1C[NH3+] ZINC001205994136 967951272 /nfs/dbraw/zinc/95/12/72/967951272.db2.gz JRPPOTYOJCCHRQ-JSGCOSHPSA-N 2 1 233.359 1.888 20 0 BDADMP c1csc([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000710446794 967953717 /nfs/dbraw/zinc/95/37/17/967953717.db2.gz YPSPHOSESLFLFC-MNOVXSKESA-N 2 1 237.372 1.542 20 0 BDADMP C[C@H]1C[N@H+](Cc2csnn2)CCC[C@H]1C[NH3+] ZINC001206003411 967956156 /nfs/dbraw/zinc/95/61/56/967956156.db2.gz HQLUTEORSUHACS-UWVGGRQHSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@H]1C[N@@H+](Cc2csnn2)CCC[C@H]1C[NH3+] ZINC001206003411 967956164 /nfs/dbraw/zinc/95/61/64/967956164.db2.gz HQLUTEORSUHACS-UWVGGRQHSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cocn2)CCC[C@H]1C[NH3+] ZINC001206004469 967960708 /nfs/dbraw/zinc/96/07/08/967960708.db2.gz SMXZPYVCLIJXRK-QWRGUYRKSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cocn2)CCC[C@H]1C[NH3+] ZINC001206004467 967961629 /nfs/dbraw/zinc/96/16/29/967961629.db2.gz SMXZPYVCLIJXRK-MNOVXSKESA-N 2 1 223.320 1.481 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC001206028230 967978922 /nfs/dbraw/zinc/97/89/22/967978922.db2.gz XVFBDQRXUSTIEO-PWSUYJOCSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1nonc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206036751 967994470 /nfs/dbraw/zinc/99/44/70/967994470.db2.gz PJWDXRFZGSWRIX-GXSJLCMTSA-N 2 1 238.335 1.185 20 0 BDADMP Cc1nonc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206036752 967996953 /nfs/dbraw/zinc/99/69/53/967996953.db2.gz PJWDXRFZGSWRIX-KOLCDFICSA-N 2 1 238.335 1.185 20 0 BDADMP C[NH+](C)Cc1nc2cc(C[NH+](C)C)ccc2[nH]1 ZINC001250566255 968079379 /nfs/dbraw/zinc/07/93/79/968079379.db2.gz FNVSCAZCLJFDJR-UHFFFAOYSA-N 2 1 232.331 1.686 20 0 BDADMP C[NH+](C)Cc1nc2ccc(C[NH+](C)C)cc2[nH]1 ZINC001250566255 968079392 /nfs/dbraw/zinc/07/93/92/968079392.db2.gz FNVSCAZCLJFDJR-UHFFFAOYSA-N 2 1 232.331 1.686 20 0 BDADMP CSCC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693563784 968080621 /nfs/dbraw/zinc/08/06/21/968080621.db2.gz WXKHRQWHSIEKSO-GARJFASQSA-N 2 1 216.394 1.797 20 0 BDADMP CC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156999 968082311 /nfs/dbraw/zinc/08/23/11/968082311.db2.gz VMHRIGCGEHAXKN-GARJFASQSA-N 2 1 202.317 1.794 20 0 BDADMP CC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156999 968082325 /nfs/dbraw/zinc/08/23/25/968082325.db2.gz VMHRIGCGEHAXKN-GARJFASQSA-N 2 1 202.317 1.794 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2cccnc2)CC[C@@H]1F ZINC001206167071 968100559 /nfs/dbraw/zinc/10/05/59/968100559.db2.gz WUULHLMQCZHEBI-NWDGAFQWSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccnc2)CC[C@@H]1F ZINC001206167071 968100574 /nfs/dbraw/zinc/10/05/74/968100574.db2.gz WUULHLMQCZHEBI-NWDGAFQWSA-N 2 1 223.295 1.343 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccn1 ZINC001206164803 968102979 /nfs/dbraw/zinc/10/29/79/968102979.db2.gz LLJMZVQROSPNDD-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccn1 ZINC001206164803 968102981 /nfs/dbraw/zinc/10/29/81/968102981.db2.gz LLJMZVQROSPNDD-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206200816 968130687 /nfs/dbraw/zinc/13/06/87/968130687.db2.gz SYPQFLFQHRNHAC-MNOVXSKESA-N 2 1 240.326 1.233 20 0 BDADMP CCc1n[nH]cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206200816 968130698 /nfs/dbraw/zinc/13/06/98/968130698.db2.gz SYPQFLFQHRNHAC-MNOVXSKESA-N 2 1 240.326 1.233 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001206257282 968175732 /nfs/dbraw/zinc/17/57/32/968175732.db2.gz AFAZDCHLGAENHZ-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CNCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001206257282 968175743 /nfs/dbraw/zinc/17/57/43/968175743.db2.gz AFAZDCHLGAENHZ-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CNCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001206257282 968175748 /nfs/dbraw/zinc/17/57/48/968175748.db2.gz AFAZDCHLGAENHZ-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC001206284295 968193559 /nfs/dbraw/zinc/19/35/59/968193559.db2.gz BKQYSFTVNZZROY-GFCCVEGCSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC001206284295 968193563 /nfs/dbraw/zinc/19/35/63/968193563.db2.gz BKQYSFTVNZZROY-GFCCVEGCSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncccc2N)CC1 ZINC001206305461 968216080 /nfs/dbraw/zinc/21/60/80/968216080.db2.gz ZUNZZIORBJQIIE-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP NC[C@]1(F)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206336050 968241417 /nfs/dbraw/zinc/24/14/17/968241417.db2.gz JVBZHXPLODLCOA-CYBMUJFWSA-N 2 1 243.370 1.139 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206336050 968241427 /nfs/dbraw/zinc/24/14/27/968241427.db2.gz JVBZHXPLODLCOA-CYBMUJFWSA-N 3 1 243.370 1.139 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206336050 968241436 /nfs/dbraw/zinc/24/14/36/968241436.db2.gz JVBZHXPLODLCOA-CYBMUJFWSA-N 3 1 243.370 1.139 20 0 BDADMP CCOC(C)(C)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336715 968247330 /nfs/dbraw/zinc/24/73/30/968247330.db2.gz NQYOOPWMTFKSDM-CYBMUJFWSA-N 2 1 246.370 1.954 20 0 BDADMP CC1(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCCCC1 ZINC001206464683 968326586 /nfs/dbraw/zinc/32/65/86/968326586.db2.gz RZLSBVLYGNHZMW-NWDGAFQWSA-N 2 1 226.364 1.208 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCCc2ccccc2)C[C@@H]1O ZINC001206506719 968345308 /nfs/dbraw/zinc/34/53/08/968345308.db2.gz MVTLNHUHZMHOOA-GJZGRUSLSA-N 2 1 248.370 1.261 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001206541774 968366418 /nfs/dbraw/zinc/36/64/18/968366418.db2.gz JZDDHPXCYCTIHT-CQSZACIVSA-N 3 1 241.423 1.956 20 0 BDADMP C[C@]1(CN)CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001206541774 968366427 /nfs/dbraw/zinc/36/64/27/968366427.db2.gz JZDDHPXCYCTIHT-CQSZACIVSA-N 2 1 241.423 1.956 20 0 BDADMP C[C@]1(CN)CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001206541774 968366436 /nfs/dbraw/zinc/36/64/36/968366436.db2.gz JZDDHPXCYCTIHT-CQSZACIVSA-N 2 1 241.423 1.956 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(=O)[nH]2)C1 ZINC001206547618 968372606 /nfs/dbraw/zinc/37/26/06/968372606.db2.gz DOEBKGUQXYWFSX-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206548139 968372897 /nfs/dbraw/zinc/37/28/97/968372897.db2.gz HMDOFKSJXPEJLT-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP CC1(C[N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001206606211 968417071 /nfs/dbraw/zinc/41/70/71/968417071.db2.gz HEWSYFWAEVJJOI-CYBMUJFWSA-N 2 1 239.407 1.437 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ncccc2[O-])C1 ZINC001206617051 968418492 /nfs/dbraw/zinc/41/84/92/968418492.db2.gz ZCEDYFXPLZAOGM-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ncccc2O)C1 ZINC001206617051 968418501 /nfs/dbraw/zinc/41/85/01/968418501.db2.gz ZCEDYFXPLZAOGM-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ncccc2O)C1 ZINC001206617051 968418504 /nfs/dbraw/zinc/41/85/04/968418504.db2.gz ZCEDYFXPLZAOGM-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(N)n1 ZINC001206624623 968423213 /nfs/dbraw/zinc/42/32/13/968423213.db2.gz XOGHQZNGZFWYRZ-GFCCVEGCSA-N 2 1 248.374 1.533 20 0 BDADMP Nc1cnccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206624892 968424950 /nfs/dbraw/zinc/42/49/50/968424950.db2.gz ZRBUDYLYBDCNTP-LLVKDONJSA-N 2 1 234.347 1.225 20 0 BDADMP CC1(C[NH3+])C[NH+](CCc2ccc(F)cc2)C1 ZINC001206711773 968437987 /nfs/dbraw/zinc/43/79/87/968437987.db2.gz ODKZQZBRCVMTPC-UHFFFAOYSA-N 2 1 222.307 1.649 20 0 BDADMP C[N@H+]1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206701330 968438428 /nfs/dbraw/zinc/43/84/28/968438428.db2.gz VYPYRNMAAIRJIW-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+]C[C@@H](O)COCC ZINC001252042547 968456559 /nfs/dbraw/zinc/45/65/59/968456559.db2.gz KRGOWUQRGODALG-CYBMUJFWSA-N 2 1 246.395 1.095 20 0 BDADMP CO[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207280355 968713281 /nfs/dbraw/zinc/71/32/81/968713281.db2.gz WDLKJNYSFGTPDE-NSHDSACASA-N 2 1 214.353 1.295 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC[C@H]1O ZINC001207391665 968747215 /nfs/dbraw/zinc/74/72/15/968747215.db2.gz KSJUXIYTDPPDQY-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1ncc2n1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435780 968769400 /nfs/dbraw/zinc/76/94/00/968769400.db2.gz MRMPVGRTYCKNEE-UHFFFAOYSA-N 2 1 234.347 1.007 20 0 BDADMP Oc1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207435210 968771262 /nfs/dbraw/zinc/77/12/62/968771262.db2.gz AJIXGYYXQWDCCQ-UHFFFAOYSA-N 2 1 246.354 1.750 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@]1(C)O ZINC001207436505 968771307 /nfs/dbraw/zinc/77/13/07/968771307.db2.gz KULRJBCZPLIRCD-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@]1(CO)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436475 968771340 /nfs/dbraw/zinc/77/13/40/968771340.db2.gz JCPDDYOMVHNPRM-CQSZACIVSA-N 2 1 240.391 1.471 20 0 BDADMP c1cnc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)nc1 ZINC001207443240 968776374 /nfs/dbraw/zinc/77/63/74/968776374.db2.gz OQGIBBNYCIPLJH-ZDUSSCGKSA-N 2 1 246.358 1.613 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001207470372 968786098 /nfs/dbraw/zinc/78/60/98/968786098.db2.gz QSVWENUIHJXAFM-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207479731 968791991 /nfs/dbraw/zinc/79/19/91/968791991.db2.gz MCXRXWYINKOFIZ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)[N@@H+](CCCO)CCC1CC[NH+](C)CC1 ZINC001207484499 968797979 /nfs/dbraw/zinc/79/79/79/968797979.db2.gz NDUJCWUKRZSDMW-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCO1 ZINC000336652044 968818419 /nfs/dbraw/zinc/81/84/19/968818419.db2.gz WCDDVSMGIVYYNZ-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154974221 968825714 /nfs/dbraw/zinc/82/57/14/968825714.db2.gz BWRCFXGCNLZETJ-VHSXEESVSA-N 2 1 245.330 1.650 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001252807999 968994689 /nfs/dbraw/zinc/99/46/89/968994689.db2.gz AVFVVQZLFSRJTQ-HZSPNIEDSA-N 2 1 242.407 1.856 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001208108093 969002255 /nfs/dbraw/zinc/00/22/55/969002255.db2.gz QESOABKUGNNJDB-TXEJJXNPSA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113268 969006098 /nfs/dbraw/zinc/00/60/98/969006098.db2.gz FZDITONHESXWLT-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC=C(c2ccc(CC[NH3+])cc2)C1 ZINC001241570321 969061136 /nfs/dbraw/zinc/06/11/36/969061136.db2.gz HFTBMPNMRRMFER-UHFFFAOYSA-N 2 1 216.328 1.907 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](F)CC1 ZINC001253180380 969103164 /nfs/dbraw/zinc/10/31/64/969103164.db2.gz BNEFCVHGCKATMW-OLZOCXBDSA-N 2 1 246.370 1.513 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](F)CC1 ZINC001253180380 969103173 /nfs/dbraw/zinc/10/31/73/969103173.db2.gz BNEFCVHGCKATMW-OLZOCXBDSA-N 2 1 246.370 1.513 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001324487951 969139781 /nfs/dbraw/zinc/13/97/81/969139781.db2.gz LVANWJAGQXHFEH-HZSPNIEDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCOCC2)CC1 ZINC001208592802 969150091 /nfs/dbraw/zinc/15/00/91/969150091.db2.gz CIWMOGJWKVVGLQ-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC001208603312 969157363 /nfs/dbraw/zinc/15/73/63/969157363.db2.gz AXBFPFDSXFGWBM-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCSCC2)C1 ZINC001208606869 969163567 /nfs/dbraw/zinc/16/35/67/969163567.db2.gz IFQNJSBJOJVDEL-LLVKDONJSA-N 2 1 214.378 1.377 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCSCC2)C1 ZINC001208606869 969163572 /nfs/dbraw/zinc/16/35/72/969163572.db2.gz IFQNJSBJOJVDEL-LLVKDONJSA-N 2 1 214.378 1.377 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H](O)C2)C1 ZINC001208607655 969166847 /nfs/dbraw/zinc/16/68/47/969166847.db2.gz MLWXGMJSNYTBFU-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H](O)C2)C1 ZINC001208607655 969166854 /nfs/dbraw/zinc/16/68/54/969166854.db2.gz MLWXGMJSNYTBFU-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H](O)C2)C1 ZINC001208607655 969166862 /nfs/dbraw/zinc/16/68/62/969166862.db2.gz MLWXGMJSNYTBFU-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208613443 969168580 /nfs/dbraw/zinc/16/85/80/969168580.db2.gz UGJZPRXRUDXUAP-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@]23CCOC3)C1 ZINC001208617511 969177639 /nfs/dbraw/zinc/17/76/39/969177639.db2.gz PRPLDEPVIOZCFP-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@]23CCOC3)C1 ZINC001208617511 969177647 /nfs/dbraw/zinc/17/76/47/969177647.db2.gz PRPLDEPVIOZCFP-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@]23CCOC3)C1 ZINC001208617511 969177651 /nfs/dbraw/zinc/17/76/51/969177651.db2.gz PRPLDEPVIOZCFP-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@]23CCOC3)C1 ZINC001208617511 969177658 /nfs/dbraw/zinc/17/76/58/969177658.db2.gz PRPLDEPVIOZCFP-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+](CCCC[NH3+])CC1CC(F)(F)C1 ZINC000383530377 969182798 /nfs/dbraw/zinc/18/27/98/969182798.db2.gz MNGPUISPFZOEGC-UHFFFAOYSA-N 2 1 206.280 1.702 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncnc2)CCC[C@@H]1C[NH3+] ZINC001205992024 969214915 /nfs/dbraw/zinc/21/49/15/969214915.db2.gz CXCUNVWQXSTTRW-WCQYABFASA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC[C@@H]1C[NH3+] ZINC001205993137 969224009 /nfs/dbraw/zinc/22/40/09/969224009.db2.gz HIFURAUWABYOMJ-CHWSQXEVSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@@H](C[N@H+]1CCc2[nH+]ccn2CC1)C(F)(F)F ZINC001208890379 969277973 /nfs/dbraw/zinc/27/79/73/969277973.db2.gz FDRJOJKJHIPICS-VIFPVBQESA-N 2 1 247.264 1.940 20 0 BDADMP C[C@@H](C[N@@H+]1CCc2[nH+]ccn2CC1)C(F)(F)F ZINC001208890379 969277983 /nfs/dbraw/zinc/27/79/83/969277983.db2.gz FDRJOJKJHIPICS-VIFPVBQESA-N 2 1 247.264 1.940 20 0 BDADMP CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098388 969388929 /nfs/dbraw/zinc/38/89/29/969388929.db2.gz HAVQRWIRMGXXNH-LPWJVIDDSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(=O)CC1)C2 ZINC001169098905 969389524 /nfs/dbraw/zinc/38/95/24/969389524.db2.gz MGUFLCNRFNZTGF-CLLJXQQHSA-N 2 1 236.359 1.713 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(=O)CC1)C2 ZINC001169098905 969389529 /nfs/dbraw/zinc/38/95/29/969389529.db2.gz MGUFLCNRFNZTGF-CLLJXQQHSA-N 2 1 236.359 1.713 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(C[NH3+])cn1)C2 ZINC001169097515 969390461 /nfs/dbraw/zinc/39/04/61/969390461.db2.gz ATHMTQKGTAIEER-ZSBIGDGJSA-N 2 1 220.320 1.140 20 0 BDADMP Cc1cnc(C[NH3+])n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098617 969390565 /nfs/dbraw/zinc/39/05/65/969390565.db2.gz JXJNFTWDVWMYBR-GDNZZTSVSA-N 2 1 234.347 1.448 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC3(COC3)C1)C2 ZINC001169099447 969392635 /nfs/dbraw/zinc/39/26/35/969392635.db2.gz RQIYLTHDYKTEAJ-LMKPVCQUSA-N 2 1 236.359 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(O)CCCC1)C2 ZINC001169079188 969399801 /nfs/dbraw/zinc/39/98/01/969399801.db2.gz JNTNTCNNMLPQEQ-XYYAHUGASA-N 2 1 238.375 1.506 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)C2 ZINC001169080420 969403394 /nfs/dbraw/zinc/40/33/94/969403394.db2.gz NGGJODPQQHRGRN-NDKCEZKHSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C2 ZINC001169080429 969404636 /nfs/dbraw/zinc/40/46/36/969404636.db2.gz NGSDBUOYFWRUQX-XGFWRYKXSA-N 2 1 238.375 1.505 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079816 969404648 /nfs/dbraw/zinc/40/46/48/969404648.db2.gz LRUYEFBXEIFNMJ-RXGFPQBGSA-N 2 1 208.349 1.857 20 0 BDADMP CCCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091857 969407245 /nfs/dbraw/zinc/40/72/45/969407245.db2.gz WISAZADYZWVBHD-SYQHCUMBSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@H]1COCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124208 969421218 /nfs/dbraw/zinc/42/12/18/969421218.db2.gz ASGGRXGJFFICMH-YIYPIFLZSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@H]1COCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124208 969421228 /nfs/dbraw/zinc/42/12/28/969421228.db2.gz ASGGRXGJFFICMH-YIYPIFLZSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@H]1COCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124208 969421232 /nfs/dbraw/zinc/42/12/32/969421232.db2.gz ASGGRXGJFFICMH-YIYPIFLZSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](C3CC3)CC1)C2 ZINC001169125607 969425858 /nfs/dbraw/zinc/42/58/58/969425858.db2.gz JSNJQUFESMVRAQ-FICVDOATSA-N 2 1 249.402 1.392 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](O)C1)C2 ZINC001169125351 969427116 /nfs/dbraw/zinc/42/71/16/969427116.db2.gz ZQTKBZZXHCFVJQ-LOWDOPEQSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](O)C1)C2 ZINC001169125351 969427122 /nfs/dbraw/zinc/42/71/22/969427122.db2.gz ZQTKBZZXHCFVJQ-LOWDOPEQSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](O)C1)C2 ZINC001169125351 969427127 /nfs/dbraw/zinc/42/71/27/969427127.db2.gz ZQTKBZZXHCFVJQ-LOWDOPEQSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001169131639 969436243 /nfs/dbraw/zinc/43/62/43/969436243.db2.gz WTTPIXPCACRIGX-RVOPOGNISA-N 2 1 236.359 1.190 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001169131639 969436249 /nfs/dbraw/zinc/43/62/49/969436249.db2.gz WTTPIXPCACRIGX-RVOPOGNISA-N 2 1 236.359 1.190 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001169131639 969436253 /nfs/dbraw/zinc/43/62/53/969436253.db2.gz WTTPIXPCACRIGX-RVOPOGNISA-N 2 1 236.359 1.190 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109453 969448467 /nfs/dbraw/zinc/44/84/67/969448467.db2.gz IRKVWCZGBHLILB-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169114786 969456270 /nfs/dbraw/zinc/45/62/70/969456270.db2.gz YNCAJBMOCHARLB-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP CC[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169114786 969456284 /nfs/dbraw/zinc/45/62/84/969456284.db2.gz YNCAJBMOCHARLB-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169114786 969456292 /nfs/dbraw/zinc/45/62/92/969456292.db2.gz YNCAJBMOCHARLB-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169114786 969456299 /nfs/dbraw/zinc/45/62/99/969456299.db2.gz YNCAJBMOCHARLB-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+](C)C1(C)CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169145944 969468075 /nfs/dbraw/zinc/46/80/75/969468075.db2.gz NMODRKZTFUQNSL-ITGUQSILSA-N 2 1 237.391 1.248 20 0 BDADMP COC(C)(C)CC[N@@H+]1CCc2nccn2CC1 ZINC001209409922 969478728 /nfs/dbraw/zinc/47/87/28/969478728.db2.gz DLYBAQFVABTICR-UHFFFAOYSA-N 2 1 237.347 1.556 20 0 BDADMP COC(C)(C)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209409922 969478735 /nfs/dbraw/zinc/47/87/35/969478735.db2.gz DLYBAQFVABTICR-UHFFFAOYSA-N 2 1 237.347 1.556 20 0 BDADMP COC(C)(C)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209409922 969478739 /nfs/dbraw/zinc/47/87/39/969478739.db2.gz DLYBAQFVABTICR-UHFFFAOYSA-N 2 1 237.347 1.556 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448436 969518244 /nfs/dbraw/zinc/51/82/44/969518244.db2.gz RUUXWBHOHUSPMH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC001169245199 969529155 /nfs/dbraw/zinc/52/91/55/969529155.db2.gz BRTIHORKCHZKJG-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC001169245199 969529158 /nfs/dbraw/zinc/52/91/58/969529158.db2.gz BRTIHORKCHZKJG-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CCN1CCC([N@H+]2CCOC[C@H](C)C2)CC1 ZINC001169246045 969534922 /nfs/dbraw/zinc/53/49/22/969534922.db2.gz NFZGLXDOIAIULP-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCOC[C@H](C)C2)CC1 ZINC001169246045 969534930 /nfs/dbraw/zinc/53/49/30/969534930.db2.gz NFZGLXDOIAIULP-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CCN1CCC([N@H+]2CC[C@@H](C)[C@](C)(O)C2)CC1 ZINC001169246271 969535564 /nfs/dbraw/zinc/53/55/64/969535564.db2.gz RTAZKOWQBJUQNN-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)CC1 ZINC001169246271 969535573 /nfs/dbraw/zinc/53/55/73/969535573.db2.gz RTAZKOWQBJUQNN-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@](C)(O)C2)CC1 ZINC001169246271 969535579 /nfs/dbraw/zinc/53/55/79/969535579.db2.gz RTAZKOWQBJUQNN-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001209557472 969542496 /nfs/dbraw/zinc/54/24/96/969542496.db2.gz VZLZILIWNBZYKM-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001209557472 969542500 /nfs/dbraw/zinc/54/25/00/969542500.db2.gz VZLZILIWNBZYKM-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001209557472 969542502 /nfs/dbraw/zinc/54/25/02/969542502.db2.gz VZLZILIWNBZYKM-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP CC[NH+]1CCC([N@H+](CCCO)C(C)C)CC1 ZINC001169258963 969545475 /nfs/dbraw/zinc/54/54/75/969545475.db2.gz WITVTDCKCCVIHQ-UHFFFAOYSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+](CCCO)C(C)C)CC1 ZINC001169258963 969545482 /nfs/dbraw/zinc/54/54/82/969545482.db2.gz WITVTDCKCCVIHQ-UHFFFAOYSA-N 2 1 228.380 1.564 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)[nH]1 ZINC001209574501 969557302 /nfs/dbraw/zinc/55/73/02/969557302.db2.gz OCKUJVYCEPSTKE-TXEJJXNPSA-N 2 1 219.332 1.317 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)[nH]1 ZINC001209574501 969557304 /nfs/dbraw/zinc/55/73/04/969557304.db2.gz OCKUJVYCEPSTKE-TXEJJXNPSA-N 2 1 219.332 1.317 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)[nH]1 ZINC001209574501 969557307 /nfs/dbraw/zinc/55/73/07/969557307.db2.gz OCKUJVYCEPSTKE-TXEJJXNPSA-N 2 1 219.332 1.317 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)[nH]1 ZINC001209574501 969557312 /nfs/dbraw/zinc/55/73/12/969557312.db2.gz OCKUJVYCEPSTKE-TXEJJXNPSA-N 2 1 219.332 1.317 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(Cc3c[nH+]ccc3N)C[C@H]21 ZINC001209733022 969593449 /nfs/dbraw/zinc/59/34/49/969593449.db2.gz OYOWIZDCTCEUOQ-SMDDNHRTSA-N 2 1 246.358 1.020 20 0 BDADMP CC[N@H+]1CCN(Cc2c[nH+]ccc2N)C(C)(C)C1 ZINC001209733487 969596086 /nfs/dbraw/zinc/59/60/86/969596086.db2.gz NKPKWJFUJJCBLS-UHFFFAOYSA-N 2 1 248.374 1.410 20 0 BDADMP C[N@H+](CCC1CC1)Cc1c[nH+]ccc1N ZINC001209737541 969598666 /nfs/dbraw/zinc/59/86/66/969598666.db2.gz NRTZERPJSGAOCM-UHFFFAOYSA-N 2 1 205.305 1.726 20 0 BDADMP C[N@@H+](CCO)CCC[NH2+]C1CCC2(CC2)CC1 ZINC001254439149 969630139 /nfs/dbraw/zinc/63/01/39/969630139.db2.gz AVIJNBSIDJXHTB-UHFFFAOYSA-N 2 1 240.391 1.613 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c[nH]1 ZINC001206011831 969637460 /nfs/dbraw/zinc/63/74/60/969637460.db2.gz GTFKVFVZHAJGTQ-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC001206011831 969637468 /nfs/dbraw/zinc/63/74/68/969637468.db2.gz GTFKVFVZHAJGTQ-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC001206011831 969637475 /nfs/dbraw/zinc/63/74/75/969637475.db2.gz GTFKVFVZHAJGTQ-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC001209846874 969664777 /nfs/dbraw/zinc/66/47/77/969664777.db2.gz WQZGBXFBVJHSKJ-DGCLKSJQSA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC001209846874 969664785 /nfs/dbraw/zinc/66/47/85/969664785.db2.gz WQZGBXFBVJHSKJ-DGCLKSJQSA-N 2 1 242.363 1.389 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(F)CCOCC2)CC1 ZINC001254503365 969667061 /nfs/dbraw/zinc/66/70/61/969667061.db2.gz MTJFOBYNSGPGLM-GFCCVEGCSA-N 2 1 244.354 1.579 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254504600 969670952 /nfs/dbraw/zinc/67/09/52/969670952.db2.gz VMRHBLYMRBPTJL-STQMWFEESA-N 2 1 248.374 1.482 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001254504464 969673686 /nfs/dbraw/zinc/67/36/86/969673686.db2.gz BKKYRXVMZKGOHF-SDDRHHMPSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001254504464 969673699 /nfs/dbraw/zinc/67/36/99/969673699.db2.gz BKKYRXVMZKGOHF-SDDRHHMPSA-N 2 1 230.327 1.187 20 0 BDADMP C[C@H]1COCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515674 969681198 /nfs/dbraw/zinc/68/11/98/969681198.db2.gz AQCCMOCDRRFTBB-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1COCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254515674 969681208 /nfs/dbraw/zinc/68/12/08/969681208.db2.gz AQCCMOCDRRFTBB-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1COCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515674 969681221 /nfs/dbraw/zinc/68/12/21/969681221.db2.gz AQCCMOCDRRFTBB-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)N([C@@H]1CCC[N@@H+](C)CC1)C(C)(C)C[NH3+] ZINC001254514385 969687478 /nfs/dbraw/zinc/68/74/78/969687478.db2.gz KXMGDEKIZRDLSA-CYBMUJFWSA-N 2 1 241.423 1.918 20 0 BDADMP COC[C@@H]1CCCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254515691 969691026 /nfs/dbraw/zinc/69/10/26/969691026.db2.gz AYJLHBLYEUEKEZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@@H]1CCCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254515691 969691027 /nfs/dbraw/zinc/69/10/27/969691027.db2.gz AYJLHBLYEUEKEZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@@H]1CCCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515691 969691032 /nfs/dbraw/zinc/69/10/32/969691032.db2.gz AYJLHBLYEUEKEZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP COCC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254517955 969695960 /nfs/dbraw/zinc/69/59/60/969695960.db2.gz ZVQJNPFYQJPOJK-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC001254522959 969712570 /nfs/dbraw/zinc/71/25/70/969712570.db2.gz LCMUDPQXVCYXAJ-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001254522959 969712576 /nfs/dbraw/zinc/71/25/76/969712576.db2.gz LCMUDPQXVCYXAJ-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@H](N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001254522959 969712583 /nfs/dbraw/zinc/71/25/83/969712583.db2.gz LCMUDPQXVCYXAJ-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCCCC23COC3)CC1 ZINC001254522552 969713935 /nfs/dbraw/zinc/71/39/35/969713935.db2.gz HAKHZMVCRVCZQN-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCCC23COC3)CC1 ZINC001254522552 969713938 /nfs/dbraw/zinc/71/39/38/969713938.db2.gz HAKHZMVCRVCZQN-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCCC23COC3)CC1 ZINC001254522552 969713940 /nfs/dbraw/zinc/71/39/40/969713940.db2.gz HAKHZMVCRVCZQN-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCCC23COC3)CC1 ZINC001254522552 969713944 /nfs/dbraw/zinc/71/39/44/969713944.db2.gz HAKHZMVCRVCZQN-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP CN1CC[C@H]2C[N@H+]([C@H]3CCC[NH+](C)CC3)C[C@H]21 ZINC001254525456 969718477 /nfs/dbraw/zinc/71/84/77/969718477.db2.gz JCBBEUIDIFAHQA-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CN1CC[C@H]2C[NH+]([C@H]3CCC[N@H+](C)CC3)C[C@H]21 ZINC001254525456 969718486 /nfs/dbraw/zinc/71/84/86/969718486.db2.gz JCBBEUIDIFAHQA-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CN1CC[C@H]2C[NH+]([C@H]3CCC[N@@H+](C)CC3)C[C@H]21 ZINC001254525456 969718495 /nfs/dbraw/zinc/71/84/95/969718495.db2.gz JCBBEUIDIFAHQA-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC[NH+](C)CC2)C[C@H](C)[N@@H+]1C ZINC001254525718 969720088 /nfs/dbraw/zinc/72/00/88/969720088.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC[N@H+](C)CC2)C[C@H](C)[NH+]1C ZINC001254525718 969720094 /nfs/dbraw/zinc/72/00/94/969720094.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN([C@@H]2CCC[N@@H+](C)CC2)C[C@H](C)[NH+]1C ZINC001254525718 969720102 /nfs/dbraw/zinc/72/01/02/969720102.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)C[C@H](C)N1C ZINC001254525718 969720107 /nfs/dbraw/zinc/72/01/07/969720107.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)C[C@H](C)N1C ZINC001254525718 969720110 /nfs/dbraw/zinc/72/01/10/969720110.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCOC[C@H]2C2CC2)CC1 ZINC001254531928 969729614 /nfs/dbraw/zinc/72/96/14/969729614.db2.gz NBSCHKMGDAJGDP-KGLIPLIRSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCOC[C@H]2C2CC2)CC1 ZINC001254531928 969729628 /nfs/dbraw/zinc/72/96/28/969729628.db2.gz NBSCHKMGDAJGDP-KGLIPLIRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC001254531928 969729636 /nfs/dbraw/zinc/72/96/36/969729636.db2.gz NBSCHKMGDAJGDP-KGLIPLIRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC001254531928 969729643 /nfs/dbraw/zinc/72/96/43/969729643.db2.gz NBSCHKMGDAJGDP-KGLIPLIRSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254529860 969732092 /nfs/dbraw/zinc/73/20/92/969732092.db2.gz RTECDAVKWKXICE-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN([C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254529860 969732103 /nfs/dbraw/zinc/73/21/03/969732103.db2.gz RTECDAVKWKXICE-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN([C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254529860 969732110 /nfs/dbraw/zinc/73/21/10/969732110.db2.gz RTECDAVKWKXICE-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC(N[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254833786 969797089 /nfs/dbraw/zinc/79/70/89/969797089.db2.gz ROYYAHVYCDZEOX-CQSZACIVSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254837419 969799900 /nfs/dbraw/zinc/79/99/00/969799900.db2.gz UKZBNWIJFVLAEU-ZDUSSCGKSA-N 3 1 248.374 1.350 20 0 BDADMP C1[C@H]2C[N@H+]([C@@H]3CC4CCN(CC4)C3)C[C@@H]12 ZINC001254856944 969812153 /nfs/dbraw/zinc/81/21/53/969812153.db2.gz XYQFDTFIKZQAEU-FRRDWIJNSA-N 2 1 206.333 1.422 20 0 BDADMP c1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)no1 ZINC001210260253 969843967 /nfs/dbraw/zinc/84/39/67/969843967.db2.gz JVWOASFAVONIGM-UHFFFAOYSA-N 2 1 245.286 1.223 20 0 BDADMP C[NH+]1CCC2(CC[N@H+](C3CCOCC3)C2)CC1 ZINC001255045226 969864326 /nfs/dbraw/zinc/86/43/26/969864326.db2.gz ZXVBQXFYCNWHBE-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP Cc1nc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c[nH]1 ZINC001276682216 969866316 /nfs/dbraw/zinc/86/63/16/969866316.db2.gz GYTQVFXXABRDBA-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1ncc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)[nH]1 ZINC001276682216 969866320 /nfs/dbraw/zinc/86/63/20/969866320.db2.gz GYTQVFXXABRDBA-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1ncc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)[nH]1 ZINC001276682216 969866322 /nfs/dbraw/zinc/86/63/22/969866322.db2.gz GYTQVFXXABRDBA-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP CC[NH+]1CCC(N(C)c2[nH+]cc(C)cc2N)CC1 ZINC000090691077 969883401 /nfs/dbraw/zinc/88/34/01/969883401.db2.gz KGJBGJAXOBGTDE-UHFFFAOYSA-N 2 1 248.374 1.893 20 0 BDADMP [NH3+]CC1(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255106008 969938861 /nfs/dbraw/zinc/93/88/61/969938861.db2.gz JRTWNQCGWHEZGU-AWEZNQCLSA-N 2 1 245.370 1.342 20 0 BDADMP CC1(C)C[N@H+](C[C@H]2CCCOC2)C[C@H]1[NH3+] ZINC000690393439 970035314 /nfs/dbraw/zinc/03/53/14/970035314.db2.gz YVGKRAGYQRZWBB-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCCOC2)C[C@H]1[NH3+] ZINC000690393439 970035320 /nfs/dbraw/zinc/03/53/20/970035320.db2.gz YVGKRAGYQRZWBB-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1cc(NC[C@@H]2COCC[NH2+]2)c2[nH+]ccn2c1 ZINC001170043060 970066737 /nfs/dbraw/zinc/06/67/37/970066737.db2.gz DWUMSLNONPMTGJ-LLVKDONJSA-N 2 1 246.314 1.043 20 0 BDADMP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001255412727 970131527 /nfs/dbraw/zinc/13/15/27/970131527.db2.gz UWOYQEBTQXKMEQ-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP C[N@H+]1CC[C@H](n2c(C[NH3+])cc3ccccc32)C1 ZINC001255411039 970132338 /nfs/dbraw/zinc/13/23/38/970132338.db2.gz CBUWGAIMRCDNKZ-LBPRGKRZSA-N 2 1 229.327 1.977 20 0 BDADMP C[N@H+]1CC[C@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001255422160 970145546 /nfs/dbraw/zinc/14/55/46/970145546.db2.gz VJIYQDAEVUDUPO-NSHDSACASA-N 2 1 230.315 1.372 20 0 BDADMP CC(C)N([C@@H]1CC[N@@H+](C)C1)C(C)(C)C[NH3+] ZINC001255428490 970153113 /nfs/dbraw/zinc/15/31/13/970153113.db2.gz YOAYZPLWLHAFLO-LLVKDONJSA-N 2 1 213.369 1.138 20 0 BDADMP C[NH2+]Cc1ccc(N[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001255435041 970158181 /nfs/dbraw/zinc/15/81/81/970158181.db2.gz BEGSZSCKEJFZMU-CYBMUJFWSA-N 2 1 219.332 1.522 20 0 BDADMP CC(C)[C@H]1[NH2+]CCc2ncn([C@H]3CC[N@@H+](C)C3)c21 ZINC001255444530 970180224 /nfs/dbraw/zinc/18/02/24/970180224.db2.gz MUYNXENSNLSPDS-WCQYABFASA-N 2 1 248.374 1.603 20 0 BDADMP CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3CC[N@@H+](C)C3)c21 ZINC001255444531 970181587 /nfs/dbraw/zinc/18/15/87/970181587.db2.gz MUYNXENSNLSPDS-YPMHNXCESA-N 2 1 248.374 1.603 20 0 BDADMP C[N@H+]1CCC[C@@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001255466454 970193586 /nfs/dbraw/zinc/19/35/86/970193586.db2.gz RHIBDJABWYCIHK-LLVKDONJSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001255469520 970197520 /nfs/dbraw/zinc/19/75/20/970197520.db2.gz CEVHCTMZNQELTI-ZDUSSCGKSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001255487772 970239111 /nfs/dbraw/zinc/23/91/11/970239111.db2.gz VGWBOWCAWIGTJN-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP COc1ccc(C)[nH+]c1NC1(C)CC[NH2+]CC1 ZINC001157401600 970252010 /nfs/dbraw/zinc/25/20/10/970252010.db2.gz MWDYVABAXZHVNS-UHFFFAOYSA-N 2 1 235.331 1.953 20 0 BDADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C1(C[NH3+])CC1 ZINC001255866043 970526821 /nfs/dbraw/zinc/52/68/21/970526821.db2.gz IUEJZPSMRIMPEI-SNVBAGLBSA-N 2 1 222.307 1.838 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)CN(C)C ZINC001255943417 970562858 /nfs/dbraw/zinc/56/28/58/970562858.db2.gz MIHQVUAJECTXBN-QWHCGFSZSA-N 2 1 229.412 1.647 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC1(F)COC1 ZINC001255946133 970576695 /nfs/dbraw/zinc/57/66/95/970576695.db2.gz QVKIBPMJNUNXHV-NSHDSACASA-N 2 1 232.343 1.435 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)C2CC[NH2+]CC2)CC1 ZINC000400472295 970593527 /nfs/dbraw/zinc/59/35/27/970593527.db2.gz YKQZVKHKWNJBMA-GFCCVEGCSA-N 3 1 239.407 1.448 20 0 BDADMP OCC1([NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC001256067749 970635239 /nfs/dbraw/zinc/63/52/39/970635239.db2.gz IWCDFRFMQDPNIU-UHFFFAOYSA-N 2 1 238.375 1.508 20 0 BDADMP O[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072708 970641288 /nfs/dbraw/zinc/64/12/88/970641288.db2.gz GKWCADRODTVDDM-CQSZACIVSA-N 2 1 238.375 1.460 20 0 BDADMP O[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072708 970641293 /nfs/dbraw/zinc/64/12/93/970641293.db2.gz GKWCADRODTVDDM-CQSZACIVSA-N 2 1 238.375 1.460 20 0 BDADMP CC[N@H+](CC(C)(C)O)C1CC[NH+](C2CC2)CC1 ZINC001256081233 970647390 /nfs/dbraw/zinc/64/73/90/970647390.db2.gz UZPTWCLHQIETAV-UHFFFAOYSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](CC(C)(C)O)C1CC[NH+](C2CC2)CC1 ZINC001256081233 970647395 /nfs/dbraw/zinc/64/73/95/970647395.db2.gz UZPTWCLHQIETAV-UHFFFAOYSA-N 2 1 240.391 1.706 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+]C2(C[NH3+])CC2)c1 ZINC001256154309 970675898 /nfs/dbraw/zinc/67/58/98/970675898.db2.gz DPAQJEIBMGGVMF-NSHDSACASA-N 2 1 234.343 1.707 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)O2)CC1 ZINC001256196670 970688480 /nfs/dbraw/zinc/68/84/80/970688480.db2.gz UMHLHQULFGINAI-NSHDSACASA-N 2 1 212.337 1.238 20 0 BDADMP CN1CCC([N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001256207919 970713211 /nfs/dbraw/zinc/71/32/11/970713211.db2.gz YUWJWNKPXLKNGL-ZDUSSCGKSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001256207919 970713221 /nfs/dbraw/zinc/71/32/21/970713221.db2.gz YUWJWNKPXLKNGL-ZDUSSCGKSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001256207919 970713228 /nfs/dbraw/zinc/71/32/28/970713228.db2.gz YUWJWNKPXLKNGL-ZDUSSCGKSA-N 2 1 245.370 1.965 20 0 BDADMP Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(C)[nH+]c(C)c1 ZINC001170339642 970728028 /nfs/dbraw/zinc/72/80/28/970728028.db2.gz NXDYSFBWXFDSJM-UHFFFAOYSA-N 2 1 246.314 1.399 20 0 BDADMP CC[NH+]1CCC([NH2+]C[Si](C)(C)C)CC1 ZINC000401871656 970743121 /nfs/dbraw/zinc/74/31/21/970743121.db2.gz WJMKIDVCGUMIMA-UHFFFAOYSA-N 2 1 214.429 1.938 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)CCC(C)C ZINC001256354339 970751038 /nfs/dbraw/zinc/75/10/38/970751038.db2.gz HZJPANFNUJURBY-VXGBXAGGSA-N 2 1 244.379 1.681 20 0 BDADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H](C)CCC(C)C ZINC001256355623 970752077 /nfs/dbraw/zinc/75/20/77/970752077.db2.gz ZOVBBRRLGNSWPZ-QWRGUYRKSA-N 2 1 230.352 1.149 20 0 BDADMP Cc1nc(C[NH+]2CCC(F)(C[NH3+])CC2)co1 ZINC001222533074 972551371 /nfs/dbraw/zinc/55/13/71/972551371.db2.gz RTDZVVXRNLLTES-UHFFFAOYSA-N 2 1 227.283 1.246 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246541740 972565824 /nfs/dbraw/zinc/56/58/24/972565824.db2.gz NENIYJAEVCLMOR-SGMGOOAPSA-N 2 1 233.359 1.539 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545287 972630450 /nfs/dbraw/zinc/63/04/50/972630450.db2.gz ASNPHBOTKZCUNO-JHJVBQTASA-N 3 1 243.370 1.280 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545290 972631148 /nfs/dbraw/zinc/63/11/48/972631148.db2.gz ASNPHBOTKZCUNO-XQQFMLRXSA-N 3 1 243.370 1.280 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545284 972631729 /nfs/dbraw/zinc/63/17/29/972631729.db2.gz ASNPHBOTKZCUNO-AGIUHOORSA-N 3 1 243.370 1.280 20 0 BDADMP c1nnc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC001327562250 972638501 /nfs/dbraw/zinc/63/85/01/972638501.db2.gz KKIWOSHTZMRBQC-RYUDHWBXSA-N 2 1 249.362 1.016 20 0 BDADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246547371 972671012 /nfs/dbraw/zinc/67/10/12/972671012.db2.gz CSWRJCXTBNEPDD-LSGALXMHSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246547371 972671019 /nfs/dbraw/zinc/67/10/19/972671019.db2.gz CSWRJCXTBNEPDD-LSGALXMHSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553612 972744426 /nfs/dbraw/zinc/74/44/26/972744426.db2.gz BNEOQQJGGNXRRC-MXWKQRLJSA-N 2 1 248.317 1.470 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CO1 ZINC001246554206 972746061 /nfs/dbraw/zinc/74/60/61/972746061.db2.gz DBWONBPSWMVKNQ-UWVGGRQHSA-N 2 1 248.317 1.470 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CO1 ZINC001246554206 972746065 /nfs/dbraw/zinc/74/60/65/972746065.db2.gz DBWONBPSWMVKNQ-UWVGGRQHSA-N 2 1 248.317 1.470 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2)CCC[C@@H]1C[NH3+] ZINC001246567382 972817749 /nfs/dbraw/zinc/81/77/49/972817749.db2.gz KSKRDEMTNJDAHI-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCNC2)CCC[C@@H]1C[NH3+] ZINC001246567382 972817753 /nfs/dbraw/zinc/81/77/53/972817753.db2.gz KSKRDEMTNJDAHI-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP c1[nH+]c(CN2CC[N@@H+]3CC[C@@H]3C2)c2ccccn12 ZINC001144627438 972898457 /nfs/dbraw/zinc/89/84/57/972898457.db2.gz OZWVWGYDJHSSHK-GFCCVEGCSA-N 2 1 242.326 1.224 20 0 BDADMP c1[nH+]c(CN2CC[N@H+]3CC[C@@H]3C2)c2ccccn12 ZINC001144627438 972898461 /nfs/dbraw/zinc/89/84/61/972898461.db2.gz OZWVWGYDJHSSHK-GFCCVEGCSA-N 2 1 242.326 1.224 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246582685 972945871 /nfs/dbraw/zinc/94/58/71/972945871.db2.gz SFDBJNVGCXJUKB-IZGVIRRGSA-N 3 1 249.402 1.496 20 0 BDADMP CC(C)=CCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586944 972978481 /nfs/dbraw/zinc/97/84/81/972978481.db2.gz UUGQLNHHLVIMFV-AVGNSLFASA-N 2 1 226.364 1.373 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246634745 973051773 /nfs/dbraw/zinc/05/17/73/973051773.db2.gz AWRPRQATZMDUOJ-YJNKXOJESA-N 3 1 249.402 1.345 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCO3)C2)CC[NH2+]1 ZINC001246828661 973120022 /nfs/dbraw/zinc/12/00/22/973120022.db2.gz FMZWIVPRJVBWCH-AGIUHOORSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246836724 973133138 /nfs/dbraw/zinc/13/31/38/973133138.db2.gz BOHHDCDWFWTLDL-XQQFMLRXSA-N 2 1 237.391 1.058 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246854631 973169958 /nfs/dbraw/zinc/16/99/58/973169958.db2.gz QMDLOAKGZKHEMV-BLYZHGLHSA-N 3 1 237.391 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001246854631 973169975 /nfs/dbraw/zinc/16/99/75/973169975.db2.gz QMDLOAKGZKHEMV-BLYZHGLHSA-N 2 1 237.391 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001246854631 973169999 /nfs/dbraw/zinc/16/99/99/973169999.db2.gz QMDLOAKGZKHEMV-BLYZHGLHSA-N 2 1 237.391 1.282 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246857757 973171490 /nfs/dbraw/zinc/17/14/90/973171490.db2.gz BRJPVOBUMMIXQE-RFQIPJPRSA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246857757 973171507 /nfs/dbraw/zinc/17/15/07/973171507.db2.gz BRJPVOBUMMIXQE-RFQIPJPRSA-N 3 1 237.391 1.186 20 0 BDADMP Cc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246865164 973194037 /nfs/dbraw/zinc/19/40/37/973194037.db2.gz BIDPFQCNKXRQLN-QEJZJMRPSA-N 2 1 230.355 1.959 20 0 BDADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001246865164 973194046 /nfs/dbraw/zinc/19/40/46/973194046.db2.gz BIDPFQCNKXRQLN-QEJZJMRPSA-N 2 1 230.355 1.959 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc2ccc(C)cn12 ZINC001328676705 973261896 /nfs/dbraw/zinc/26/18/96/973261896.db2.gz DKQBEFDHAYEZRI-LBPRGKRZSA-N 2 1 246.358 1.730 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH2+]1 ZINC001246874894 973265760 /nfs/dbraw/zinc/26/57/60/973265760.db2.gz WNZARWZSHAGUDY-UHFZAUJKSA-N 2 1 212.312 1.274 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246875221 973267337 /nfs/dbraw/zinc/26/73/37/973267337.db2.gz XYAHSZUSPRIJAE-RXGFPQBGSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246875221 973267350 /nfs/dbraw/zinc/26/73/50/973267350.db2.gz XYAHSZUSPRIJAE-RXGFPQBGSA-N 2 1 208.349 1.844 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3C[C@]3([NH3+])C1)C2 ZINC001246874934 973269378 /nfs/dbraw/zinc/26/93/78/973269378.db2.gz XFLJCUNEICHGNB-GUTXKFCHSA-N 2 1 244.338 1.195 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3C[C@]3([NH3+])C1)C2 ZINC001246874934 973269403 /nfs/dbraw/zinc/26/94/03/973269403.db2.gz XFLJCUNEICHGNB-GUTXKFCHSA-N 2 1 244.338 1.195 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cn1 ZINC001330199284 973316715 /nfs/dbraw/zinc/31/67/15/973316715.db2.gz TTXDZMJUVVVADE-YPMHNXCESA-N 2 1 249.358 1.220 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000720891290 973379220 /nfs/dbraw/zinc/37/92/20/973379220.db2.gz DZMJXKMQTVSACY-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H]1CCC[NH2+]C1 ZINC000720891290 973379203 /nfs/dbraw/zinc/37/92/03/973379203.db2.gz DZMJXKMQTVSACY-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000720891290 973379212 /nfs/dbraw/zinc/37/92/12/973379212.db2.gz DZMJXKMQTVSACY-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+](CCO)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246914268 973445633 /nfs/dbraw/zinc/44/56/33/973445633.db2.gz SWADAFQKELJMTL-KGLIPLIRSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@@H+](CCO)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246914268 973445643 /nfs/dbraw/zinc/44/56/43/973445643.db2.gz SWADAFQKELJMTL-KGLIPLIRSA-N 2 1 234.343 1.404 20 0 BDADMP CCCC(CCC)[N@H+]1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001246929998 973571859 /nfs/dbraw/zinc/57/18/59/973571859.db2.gz JGNVGFDZZJTLCW-RYUDHWBXSA-N 2 1 242.363 1.387 20 0 BDADMP C[NH2+]C[C@H](C)c1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001329412181 973754652 /nfs/dbraw/zinc/75/46/52/973754652.db2.gz UVUOYZQBRNRYCC-GXSJLCMTSA-N 2 1 246.314 1.441 20 0 BDADMP C[N@H+]1CC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224745069 973899619 /nfs/dbraw/zinc/89/96/19/973899619.db2.gz VYQDEXSVDHUWIO-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[N@H+]1CC[C@@H](OCCC[NH+]2CCCCC2)C1 ZINC001224855757 974027585 /nfs/dbraw/zinc/02/75/85/974027585.db2.gz SETLPZBUGWKTPB-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154987 974265967 /nfs/dbraw/zinc/26/59/67/974265967.db2.gz KJXUFIGZRBPBTN-MNOVXSKESA-N 2 1 232.343 1.563 20 0 BDADMP CCOC(C)(C)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154987 974265977 /nfs/dbraw/zinc/26/59/77/974265977.db2.gz KJXUFIGZRBPBTN-MNOVXSKESA-N 2 1 232.343 1.563 20 0 BDADMP CCN1CC[C@@H]([N@@H+](CCC[NH3+])C(C)C)CC1=O ZINC001172024114 974281785 /nfs/dbraw/zinc/28/17/85/974281785.db2.gz VEGWLCORNBXHOW-GFCCVEGCSA-N 2 1 241.379 1.057 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC(F)(F)F)CC[C@@H]1F ZINC001206153966 974317462 /nfs/dbraw/zinc/31/74/62/974317462.db2.gz FSUKCPLJVDOGAV-YUMQZZPRSA-N 2 1 228.233 1.700 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC(F)(F)F)CC[C@@H]1F ZINC001206153966 974317474 /nfs/dbraw/zinc/31/74/74/974317474.db2.gz FSUKCPLJVDOGAV-YUMQZZPRSA-N 2 1 228.233 1.700 20 0 BDADMP C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001330579043 974332888 /nfs/dbraw/zinc/33/28/88/974332888.db2.gz VTGMIBZGJWQUQJ-NSHDSACASA-N 2 1 243.395 1.079 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172098342 974338786 /nfs/dbraw/zinc/33/87/86/974338786.db2.gz CBNXOANEULJXOW-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172098342 974338798 /nfs/dbraw/zinc/33/87/98/974338798.db2.gz CBNXOANEULJXOW-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172098342 974338812 /nfs/dbraw/zinc/33/88/12/974338812.db2.gz CBNXOANEULJXOW-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1COC1)C2 ZINC001172098188 974341100 /nfs/dbraw/zinc/34/11/00/974341100.db2.gz BNSTZVOPUJCYBD-CLLJXQQHSA-N 2 1 224.348 1.238 20 0 BDADMP COCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206155974 974341532 /nfs/dbraw/zinc/34/15/32/974341532.db2.gz NPMSTYKULGISGK-MNOVXSKESA-N 2 1 218.316 1.174 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206155974 974341540 /nfs/dbraw/zinc/34/15/40/974341540.db2.gz NPMSTYKULGISGK-MNOVXSKESA-N 2 1 218.316 1.174 20 0 BDADMP COC[C@@H]1CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130078 974350990 /nfs/dbraw/zinc/35/09/90/974350990.db2.gz HAGCLHZMQYZXSS-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130078 974350999 /nfs/dbraw/zinc/35/09/99/974350999.db2.gz HAGCLHZMQYZXSS-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130078 974351004 /nfs/dbraw/zinc/35/10/04/974351004.db2.gz HAGCLHZMQYZXSS-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001172124914 974353468 /nfs/dbraw/zinc/35/34/68/974353468.db2.gz MXKGLIPRPOZOCJ-ZSLBOAEBSA-N 2 1 236.359 1.475 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001172124914 974353480 /nfs/dbraw/zinc/35/34/80/974353480.db2.gz MXKGLIPRPOZOCJ-ZSLBOAEBSA-N 2 1 236.359 1.475 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001172124914 974353490 /nfs/dbraw/zinc/35/34/90/974353490.db2.gz MXKGLIPRPOZOCJ-ZSLBOAEBSA-N 2 1 236.359 1.475 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC(=O)C1)C2 ZINC001172108315 974374551 /nfs/dbraw/zinc/37/45/51/974374551.db2.gz UFUIDTYYXVGTIS-XYYAHUGASA-N 2 1 236.359 1.570 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC(=O)C1)C2 ZINC001172108315 974374561 /nfs/dbraw/zinc/37/45/61/974374561.db2.gz UFUIDTYYXVGTIS-XYYAHUGASA-N 2 1 236.359 1.570 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@]1(C)CCOC1)C2 ZINC001172111878 974375620 /nfs/dbraw/zinc/37/56/20/974375620.db2.gz XSCNGQMCZCDYIC-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@]1(C)CCOC1)C2 ZINC001172111878 974375625 /nfs/dbraw/zinc/37/56/25/974375625.db2.gz XSCNGQMCZCDYIC-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP N[C@@H]1CC[N@@H+](CCC23CC([NH3+])(C2)C3)CC[C@H]1F ZINC001206157176 974375964 /nfs/dbraw/zinc/37/59/64/974375964.db2.gz XATFJFVOZTXADS-OKZRHMCRSA-N 3 1 241.354 1.019 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC23CC([NH3+])(C2)C3)CC[C@H]1F ZINC001206157176 974375973 /nfs/dbraw/zinc/37/59/73/974375973.db2.gz XATFJFVOZTXADS-OKZRHMCRSA-N 3 1 241.354 1.019 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC23CC([NH3+])(C2)C3)CC[C@H]1F ZINC001206157176 974375982 /nfs/dbraw/zinc/37/59/82/974375982.db2.gz XATFJFVOZTXADS-OKZRHMCRSA-N 3 1 241.354 1.019 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)CC1)C2 ZINC001172114393 974378854 /nfs/dbraw/zinc/37/88/54/974378854.db2.gz RGAKILGZZVUJMY-CLLJXQQHSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)CC1)C2 ZINC001172114393 974378861 /nfs/dbraw/zinc/37/88/61/974378861.db2.gz RGAKILGZZVUJMY-CLLJXQQHSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114697 974384388 /nfs/dbraw/zinc/38/43/88/974384388.db2.gz SIIUCMHNGYLTJW-WDNDVIMCSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120335 974384473 /nfs/dbraw/zinc/38/44/73/974384473.db2.gz JYZJSHBVXYCZBV-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120335 974384486 /nfs/dbraw/zinc/38/44/86/974384486.db2.gz JYZJSHBVXYCZBV-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172120335 974384494 /nfs/dbraw/zinc/38/44/94/974384494.db2.gz JYZJSHBVXYCZBV-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172120335 974384502 /nfs/dbraw/zinc/38/45/02/974384502.db2.gz JYZJSHBVXYCZBV-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC001172114710 974384891 /nfs/dbraw/zinc/38/48/91/974384891.db2.gz SKEDYHATZOHEDC-ZUWCUPBKSA-N 2 1 237.391 1.471 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172217641 974444274 /nfs/dbraw/zinc/44/42/74/974444274.db2.gz HMLHVGWCWVIPNN-RLAWYHOSSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223308 974459987 /nfs/dbraw/zinc/45/99/87/974459987.db2.gz CAAFRXNOSHFUGE-RKFYDKJMSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223308 974459988 /nfs/dbraw/zinc/45/99/88/974459988.db2.gz CAAFRXNOSHFUGE-RKFYDKJMSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172232929 974476427 /nfs/dbraw/zinc/47/64/27/974476427.db2.gz NFZHBTMWHHLFLA-FUDCBSFHSA-N 2 1 236.359 1.404 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1COC(C)(C)C1 ZINC001172271117 974485572 /nfs/dbraw/zinc/48/55/72/974485572.db2.gz RNCBVUZWXUQBAB-JTQLQIEISA-N 2 1 223.320 1.433 20 0 BDADMP COCCC[NH+]1CCC([NH2+]C23CC(C2)C3)CC1 ZINC001172244002 974509297 /nfs/dbraw/zinc/50/92/97/974509297.db2.gz KOTFPKDRIPHITL-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP COCCC[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172250434 974513417 /nfs/dbraw/zinc/51/34/17/974513417.db2.gz RQLGPBDAUFPQFW-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP COCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172250434 974513421 /nfs/dbraw/zinc/51/34/21/974513421.db2.gz RQLGPBDAUFPQFW-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCO)C[C@H]1C ZINC001172365439 974644005 /nfs/dbraw/zinc/64/40/05/974644005.db2.gz BPQZXKJSYXUTJI-MCIONIFRSA-N 2 1 242.407 1.715 20 0 BDADMP CC[C@@H](CC(C)C)[NH2+]CCC[N@@H+](C)CCO ZINC001172399930 974761605 /nfs/dbraw/zinc/76/16/05/974761605.db2.gz IKKOLAXGSYMUJA-ZDUSSCGKSA-N 2 1 230.396 1.715 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC001173174364 975052988 /nfs/dbraw/zinc/05/29/88/975052988.db2.gz SDWMYLZXZGZXJN-IHRRRGAJSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC001173174364 975052992 /nfs/dbraw/zinc/05/29/92/975052992.db2.gz SDWMYLZXZGZXJN-IHRRRGAJSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC001173174364 975052997 /nfs/dbraw/zinc/05/29/97/975052997.db2.gz SDWMYLZXZGZXJN-IHRRRGAJSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCO[C@@H](C)C1 ZINC001173170023 975062635 /nfs/dbraw/zinc/06/26/35/975062635.db2.gz IENPGKILGLVKHE-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171495 975064911 /nfs/dbraw/zinc/06/49/11/975064911.db2.gz XMGKHLIQBKAUEV-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC001332378119 975079843 /nfs/dbraw/zinc/07/98/43/975079843.db2.gz VNJMKKAGQKLQSD-GFCCVEGCSA-N 2 1 238.379 1.242 20 0 BDADMP CC(C)([NH3+])CNc1ccc2[nH]c[nH+]c2c1 ZINC000258909574 975086714 /nfs/dbraw/zinc/08/67/14/975086714.db2.gz SSRJMZMZLMOSSO-UHFFFAOYSA-N 2 1 204.277 1.712 20 0 BDADMP CC[N@H+]1CC[C@H](n2nnc3ccc(C[NH3+])cc32)C1 ZINC001173355000 975310090 /nfs/dbraw/zinc/31/00/90/975310090.db2.gz LYNWCKWCRGRHFL-NSHDSACASA-N 2 1 245.330 1.157 20 0 BDADMP CC[N@H+]1CC[C@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001173356147 975315353 /nfs/dbraw/zinc/31/53/53/975315353.db2.gz BDGCSCLCHYWKRE-ZDUSSCGKSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001173361302 975334433 /nfs/dbraw/zinc/33/44/33/975334433.db2.gz USDWEDBJOFDXKQ-OLZOCXBDSA-N 2 1 245.370 1.643 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001173365383 975347338 /nfs/dbraw/zinc/34/73/38/975347338.db2.gz HBNXIGZQWGJPPF-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@@H+](C)C1CCN([C@@H]2CC[NH+](CC)C2)CC1 ZINC001173375040 975363476 /nfs/dbraw/zinc/36/34/76/975363476.db2.gz QBJQHYJQKGMIGA-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](C)C1CCN([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001173375040 975363485 /nfs/dbraw/zinc/36/34/85/975363485.db2.gz QBJQHYJQKGMIGA-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](C)C1CCN([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001173375040 975363494 /nfs/dbraw/zinc/36/34/94/975363494.db2.gz QBJQHYJQKGMIGA-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC001333319911 975654058 /nfs/dbraw/zinc/65/40/58/975654058.db2.gz KQFGRRBLDSSGSB-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001333623272 975898714 /nfs/dbraw/zinc/89/87/14/975898714.db2.gz YCOZTDIFYGCANM-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP Cn1cc[nH+]c1Nc1ccc2[nH+]ccn2c1 ZINC001174275533 976498529 /nfs/dbraw/zinc/49/85/29/976498529.db2.gz AAECJBGBRLPAHS-UHFFFAOYSA-N 2 1 213.244 1.811 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001335465595 977074170 /nfs/dbraw/zinc/07/41/70/977074170.db2.gz KJTXKLZABBCQBB-HOSYDEDBSA-N 2 1 228.336 1.010 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001335465595 977074186 /nfs/dbraw/zinc/07/41/86/977074186.db2.gz KJTXKLZABBCQBB-HOSYDEDBSA-N 2 1 228.336 1.010 20 0 BDADMP C[N@H+]1CC[C@H](Oc2cc3c(cc2O)C=NCC3)C1 ZINC001230915148 977379279 /nfs/dbraw/zinc/37/92/79/977379279.db2.gz NEOKIAOXACSFLR-LBPRGKRZSA-N 2 1 246.310 1.450 20 0 BDADMP C[C@]1(C2CC2)COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001336096235 977499873 /nfs/dbraw/zinc/49/98/73/977499873.db2.gz RAYKXPDMHKYOHT-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@]1(C2CC2)COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001336096235 977499890 /nfs/dbraw/zinc/49/98/90/977499890.db2.gz RAYKXPDMHKYOHT-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP CCc1cc(NC2=CCC[N@@H+](C)C2)cc[nH+]1 ZINC001175575977 977583184 /nfs/dbraw/zinc/58/31/84/977583184.db2.gz ALDLZFQUAHGXAN-UHFFFAOYSA-N 2 1 217.316 1.697 20 0 BDADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCOC1)C2 ZINC001336269150 977606008 /nfs/dbraw/zinc/60/60/08/977606008.db2.gz AEUHGPXMHUUGMH-CRMUJIHISA-N 2 1 236.359 1.523 20 0 BDADMP CCC[N@H+]1CC[C@@H](CNc2nccnc2C[NH3+])C1 ZINC001336496036 977719205 /nfs/dbraw/zinc/71/92/05/977719205.db2.gz TXCUSTHINNEBSN-NSHDSACASA-N 2 1 249.362 1.079 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001232011304 977838003 /nfs/dbraw/zinc/83/80/03/977838003.db2.gz AQKSWYYGSLWTHW-ZANVPECISA-N 2 1 231.299 1.376 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@H]1O ZINC001232011693 977840419 /nfs/dbraw/zinc/84/04/19/977840419.db2.gz OCZSJRAXQMOEHM-IINYFYTJSA-N 2 1 245.326 1.766 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](CC(F)F)CC2 ZINC001277645677 977998875 /nfs/dbraw/zinc/99/88/75/977998875.db2.gz YBHBKIYENMSQPB-UHFFFAOYSA-N 2 1 218.291 1.669 20 0 BDADMP CC[N@H+]1CCC[C@@H](OCC[NH+](C)C)C1 ZINC001206278736 978149038 /nfs/dbraw/zinc/14/90/38/978149038.db2.gz RYYDVBVKUUUBPP-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP C[NH+](C)CCCO[C@H]1CCC[N@@H+](C)C1 ZINC001206287642 978253497 /nfs/dbraw/zinc/25/34/97/978253497.db2.gz SLDWSUSWZKHXCV-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP CC(C)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176985987 978268712 /nfs/dbraw/zinc/26/87/12/978268712.db2.gz AOIXLXDLYOUMAA-UHFFFAOYSA-N 2 1 243.395 1.079 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001206292433 978285103 /nfs/dbraw/zinc/28/51/03/978285103.db2.gz ALULPKQHVUDIQN-STQMWFEESA-N 2 1 226.364 1.474 20 0 BDADMP COCOCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292653 978286761 /nfs/dbraw/zinc/28/67/61/978286761.db2.gz DGZCYLYQNNHFNV-CYBMUJFWSA-N 2 1 244.379 1.448 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC001206310890 978482516 /nfs/dbraw/zinc/48/25/16/978482516.db2.gz DWSOMORVHGHSSU-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC001206310889 978482766 /nfs/dbraw/zinc/48/27/66/978482766.db2.gz DWSOMORVHGHSSU-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC001233189002 978485399 /nfs/dbraw/zinc/48/53/99/978485399.db2.gz IZOWJWHWEJTYTA-UHFFFAOYSA-N 2 1 249.358 1.622 20 0 BDADMP Cc1cc(F)cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC001337810583 978506672 /nfs/dbraw/zinc/50/66/72/978506672.db2.gz ZNLGNVXJZFGACP-GFCCVEGCSA-N 2 1 241.310 1.254 20 0 BDADMP Cc1cc(N)nc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)[nH+]1 ZINC001337888839 978552370 /nfs/dbraw/zinc/55/23/70/978552370.db2.gz UHKVKFXDTOIGKF-KCJUWKMLSA-N 2 1 247.346 1.262 20 0 BDADMP Cc1cc(N)nc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)[nH+]1 ZINC001337888839 978552377 /nfs/dbraw/zinc/55/23/77/978552377.db2.gz UHKVKFXDTOIGKF-KCJUWKMLSA-N 2 1 247.346 1.262 20 0 BDADMP C[C@H](CC[NH2+]C[C@H](O)c1ccccn1)[NH+](C)C ZINC001338474022 978685332 /nfs/dbraw/zinc/68/53/32/978685332.db2.gz LMSWSZIKMJOTMF-YPMHNXCESA-N 2 1 237.347 1.045 20 0 BDADMP C[C@H](C[NH+](C)C)Oc1ccc2[nH+]ccn2c1 ZINC001233749684 978688195 /nfs/dbraw/zinc/68/81/95/978688195.db2.gz WKRVHNVEAHZPBE-SNVBAGLBSA-N 2 1 219.288 1.663 20 0 BDADMP [NH3+][C@H]1C[C@@H](F)CN(Cc2[nH+]cc3ccccn32)C1 ZINC001206414904 978848819 /nfs/dbraw/zinc/84/88/19/978848819.db2.gz RUNADKDPHFXILM-MNOVXSKESA-N 2 1 248.305 1.205 20 0 BDADMP Cc1nc(C)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)[nH]1 ZINC001234644554 978884733 /nfs/dbraw/zinc/88/47/33/978884733.db2.gz FROYURPTYOEYJN-UHFFFAOYSA-N 2 1 248.374 1.554 20 0 BDADMP CC[N@H+]1C[C@H]2CN(Cc3[nH]c(C)[nH+]c3C)C[C@H]2C1 ZINC001234662621 978894988 /nfs/dbraw/zinc/89/49/88/978894988.db2.gz NEWXBRQPSBLQEQ-BETUJISGSA-N 2 1 248.374 1.410 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3[nH]c(C)[nH+]c3C)C[C@H]2C1 ZINC001234662621 978894990 /nfs/dbraw/zinc/89/49/90/978894990.db2.gz NEWXBRQPSBLQEQ-BETUJISGSA-N 2 1 248.374 1.410 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]cc3)[C@H]2C1 ZINC001339998988 978953590 /nfs/dbraw/zinc/95/35/90/978953590.db2.gz LMFBIVUGTJSHAC-DRZSPHRISA-N 2 1 217.316 1.256 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036600 978957977 /nfs/dbraw/zinc/95/79/77/978957977.db2.gz AJKFTYXYGASAIV-ZUWCUPBKSA-N 2 1 218.344 1.635 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036600 978957986 /nfs/dbraw/zinc/95/79/86/978957986.db2.gz AJKFTYXYGASAIV-ZUWCUPBKSA-N 2 1 218.344 1.635 20 0 BDADMP OCCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127589 978981285 /nfs/dbraw/zinc/98/12/85/978981285.db2.gz ZPXZQBKVUNJQAF-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127589 978981288 /nfs/dbraw/zinc/98/12/88/978981288.db2.gz ZPXZQBKVUNJQAF-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127125 978982094 /nfs/dbraw/zinc/98/20/94/978982094.db2.gz XOHAMZHPPPTSHK-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)N1CCCC[C@]12CC[NH2+]C2 ZINC001235127125 978982098 /nfs/dbraw/zinc/98/20/98/978982098.db2.gz XOHAMZHPPPTSHK-CQSZACIVSA-N 2 1 237.391 1.204 20 0 BDADMP OCCCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190434 978992709 /nfs/dbraw/zinc/99/27/09/978992709.db2.gz IBXQYFFKCRJQKH-UHFFFAOYSA-N 2 1 226.364 1.367 20 0 BDADMP c1nc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c[nH]1 ZINC001235229462 978998509 /nfs/dbraw/zinc/99/85/09/978998509.db2.gz MNRMFERZRLTLNB-CQSZACIVSA-N 2 1 248.374 1.764 20 0 BDADMP C[NH2+]CCCN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232664 978998951 /nfs/dbraw/zinc/99/89/51/978998951.db2.gz KWYXXRWBHGPBIR-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP OCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400442 979035085 /nfs/dbraw/zinc/03/50/85/979035085.db2.gz CZEYOMUXEVVLRL-OLZOCXBDSA-N 2 1 244.354 1.173 20 0 BDADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCCO)CC1 ZINC001235547005 979094455 /nfs/dbraw/zinc/09/44/55/979094455.db2.gz RYLPGBLOKVUSNH-UHFFFAOYSA-N 2 1 249.358 1.311 20 0 BDADMP CC(C)[N@H+](CC1CC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235695340 979109107 /nfs/dbraw/zinc/10/91/07/979109107.db2.gz QRJNJLZGDSJFBL-LBPRGKRZSA-N 2 1 226.364 1.831 20 0 BDADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235695340 979109113 /nfs/dbraw/zinc/10/91/13/979109113.db2.gz QRJNJLZGDSJFBL-LBPRGKRZSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235820242 979161013 /nfs/dbraw/zinc/16/10/13/979161013.db2.gz LEGDZKUKTZTKFM-TUAOUCFPSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1C[C@@H](C)CC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235820242 979161021 /nfs/dbraw/zinc/16/10/21/979161021.db2.gz LEGDZKUKTZTKFM-TUAOUCFPSA-N 2 1 226.364 1.831 20 0 BDADMP [NH3+]CCCC[N@H+]1Cc2ccc(F)cc2C1 ZINC001235833899 979163362 /nfs/dbraw/zinc/16/33/62/979163362.db2.gz UUJVRQRMFWSRAM-UHFFFAOYSA-N 2 1 208.280 1.880 20 0 BDADMP c1ccc([C@H]2C[N@@H+](CCC3C[NH2+]C3)CCN2)cc1 ZINC001235860853 979173419 /nfs/dbraw/zinc/17/34/19/979173419.db2.gz XNVIXPTXJKKVKD-OAHLLOKOSA-N 2 1 245.370 1.242 20 0 BDADMP CO[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235896851 979188929 /nfs/dbraw/zinc/18/89/29/979188929.db2.gz DBPGBXZTKKNTKT-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235896851 979188938 /nfs/dbraw/zinc/18/89/38/979188938.db2.gz DBPGBXZTKKNTKT-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP C(C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929301 979215696 /nfs/dbraw/zinc/21/56/96/979215696.db2.gz KWNAZKGRRNWQNV-MGPQQGTHSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929301 979215716 /nfs/dbraw/zinc/21/57/16/979215716.db2.gz KWNAZKGRRNWQNV-MGPQQGTHSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@H](C)O1 ZINC001235978896 979251269 /nfs/dbraw/zinc/25/12/69/979251269.db2.gz LOVZQEMIDWUCOT-ZUWCUPBKSA-N 2 1 238.375 1.613 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001235986118 979268725 /nfs/dbraw/zinc/26/87/25/979268725.db2.gz NULINPGWICZIIL-LBPRGKRZSA-N 2 1 212.337 1.228 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[C@]3([NH3+])C2)c1C ZINC001236024956 979319644 /nfs/dbraw/zinc/31/96/44/979319644.db2.gz STEOZFWHPYXTKA-FZMZJTMJSA-N 2 1 247.342 1.240 20 0 BDADMP CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC[NH2+]CC1 ZINC001236058817 979349196 /nfs/dbraw/zinc/34/91/96/979349196.db2.gz CBSQMRIFSAYPEM-STQMWFEESA-N 2 1 237.391 1.060 20 0 BDADMP CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC[NH2+]CC1 ZINC001236058817 979349204 /nfs/dbraw/zinc/34/92/04/979349204.db2.gz CBSQMRIFSAYPEM-STQMWFEESA-N 2 1 237.391 1.060 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001236132191 979405676 /nfs/dbraw/zinc/40/56/76/979405676.db2.gz GUFJLMWLNFEUNG-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@H+](CC1CC[NH2+]CC1)[C@]1(C)CCCNC1 ZINC001236199943 979445445 /nfs/dbraw/zinc/44/54/45/979445445.db2.gz GQTLEVYHBJDYKM-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@]1(C)CCCNC1 ZINC001236199943 979445447 /nfs/dbraw/zinc/44/54/47/979445447.db2.gz GQTLEVYHBJDYKM-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@H+](CCCCC[NH3+])[C@@]1(C)CCCNC1 ZINC001236201250 979450665 /nfs/dbraw/zinc/45/06/65/979450665.db2.gz LIEDPZIGCYUDOG-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP C[N@@H+](CCCCC[NH3+])[C@@]1(C)CCCNC1 ZINC001236201250 979450669 /nfs/dbraw/zinc/45/06/69/979450669.db2.gz LIEDPZIGCYUDOG-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP OCCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287255 979489753 /nfs/dbraw/zinc/48/97/53/979489753.db2.gz QMKFVJFCYPGKFZ-UHFFFAOYSA-N 2 1 248.370 1.623 20 0 BDADMP CC[NH2+]CCN(C)CC[N@@H+](C)Cc1ccccc1 ZINC001236309011 979514911 /nfs/dbraw/zinc/51/49/11/979514911.db2.gz ZTRYFYGNSAPTHL-UHFFFAOYSA-N 2 1 249.402 1.660 20 0 BDADMP C([C@@H]1CCCC[NH2+]1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314140 979523859 /nfs/dbraw/zinc/52/38/59/979523859.db2.gz HIYDIABESVXTMI-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@@H]1CCCC[NH2+]1)N1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314140 979523864 /nfs/dbraw/zinc/52/38/64/979523864.db2.gz HIYDIABESVXTMI-MJBXVCDLSA-N 2 1 237.391 1.060 20 0 BDADMP CCc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)on1 ZINC001236314502 979524732 /nfs/dbraw/zinc/52/47/32/979524732.db2.gz PDHQMRCMKYUQKQ-TXEJJXNPSA-N 2 1 249.358 1.668 20 0 BDADMP C([C@@H]1CCCO1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314135 979525501 /nfs/dbraw/zinc/52/55/01/979525501.db2.gz HCMHFYLQWNQATK-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccn1 ZINC001236314671 979525555 /nfs/dbraw/zinc/52/55/55/979525555.db2.gz RSQCEMLZCYVSBH-OKILXGFUSA-N 2 1 231.343 1.513 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nn1C ZINC001236315544 979527128 /nfs/dbraw/zinc/52/71/28/979527128.db2.gz KVOOWDUKEOWIGH-BETUJISGSA-N 2 1 248.374 1.160 20 0 BDADMP Fc1ccnc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321882 979531673 /nfs/dbraw/zinc/53/16/73/979531673.db2.gz OPLGIZQFAHHBEQ-TXEJJXNPSA-N 2 1 249.333 1.652 20 0 BDADMP CCn1cncc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321315 979532405 /nfs/dbraw/zinc/53/24/05/979532405.db2.gz PURAZUBUXCZLMM-BETUJISGSA-N 2 1 248.374 1.334 20 0 BDADMP Nc1ncccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320685 979534245 /nfs/dbraw/zinc/53/42/45/979534245.db2.gz AWXSIIOXWXJQAS-TXEJJXNPSA-N 2 1 246.358 1.095 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(N)c1 ZINC001236420751 979592198 /nfs/dbraw/zinc/59/21/98/979592198.db2.gz NMKYDUNTSFYSRI-GWCFXTLKSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(N)c1 ZINC001236420751 979592209 /nfs/dbraw/zinc/59/22/09/979592209.db2.gz NMKYDUNTSFYSRI-GWCFXTLKSA-N 2 1 219.332 1.580 20 0 BDADMP CO[C@H](C)C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001182715403 979616368 /nfs/dbraw/zinc/61/63/68/979616368.db2.gz QVHXTLKPFBJBEC-GFCCVEGCSA-N 2 1 216.369 1.589 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCCO2)C1 ZINC001206542136 979649423 /nfs/dbraw/zinc/64/94/23/979649423.db2.gz SETURLQEQVSHPP-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001236615915 979682338 /nfs/dbraw/zinc/68/23/38/979682338.db2.gz KSPYCHYKVFVPND-CQSZACIVSA-N 2 1 249.358 1.664 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206548221 979688898 /nfs/dbraw/zinc/68/88/98/979688898.db2.gz IDKDMVVYOAZSJX-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP CC(C)(C)C[N@@H+](CCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766754 979721207 /nfs/dbraw/zinc/72/12/07/979721207.db2.gz CLXHJBKVYMTOAO-JOCQHMNTSA-N 2 1 242.407 1.987 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254868 979730206 /nfs/dbraw/zinc/73/02/06/979730206.db2.gz CYEKORMZQNZYEX-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254868 979730217 /nfs/dbraw/zinc/73/02/17/979730217.db2.gz CYEKORMZQNZYEX-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254868 979730227 /nfs/dbraw/zinc/73/02/27/979730227.db2.gz CYEKORMZQNZYEX-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254868 979730235 /nfs/dbraw/zinc/73/02/35/979730235.db2.gz CYEKORMZQNZYEX-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254868 979730244 /nfs/dbraw/zinc/73/02/44/979730244.db2.gz CYEKORMZQNZYEX-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP CN1CCC[C@H](C[N@@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254868 979730252 /nfs/dbraw/zinc/73/02/52/979730252.db2.gz CYEKORMZQNZYEX-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@H](C[N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254868 979730263 /nfs/dbraw/zinc/73/02/63/979730263.db2.gz CYEKORMZQNZYEX-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccncc1 ZINC001236861304 979767442 /nfs/dbraw/zinc/76/74/42/979767442.db2.gz ZRULGQPFSKMXGM-ZDUSSCGKSA-N 2 1 221.348 1.683 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccncc1 ZINC001236861304 979767454 /nfs/dbraw/zinc/76/74/54/979767454.db2.gz ZRULGQPFSKMXGM-ZDUSSCGKSA-N 2 1 221.348 1.683 20 0 BDADMP O=c1[nH]cccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380029 979878592 /nfs/dbraw/zinc/87/85/92/979878592.db2.gz DXUQFHAINTXCJC-YPMHNXCESA-N 2 1 247.342 1.361 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)nc1 ZINC001205281043 979882090 /nfs/dbraw/zinc/88/20/90/979882090.db2.gz OOGWVEYWGORALL-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)nc1 ZINC001205281043 979882092 /nfs/dbraw/zinc/88/20/92/979882092.db2.gz OOGWVEYWGORALL-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP CC(C)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001184387968 980057816 /nfs/dbraw/zinc/05/78/16/980057816.db2.gz OCCXOEJXKHLHGN-RWMBFGLXSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238104045 980150766 /nfs/dbraw/zinc/15/07/66/980150766.db2.gz RFZJCSWTUMZZNA-RISCZKNCSA-N 2 1 245.326 1.680 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238104045 980150772 /nfs/dbraw/zinc/15/07/72/980150772.db2.gz RFZJCSWTUMZZNA-RISCZKNCSA-N 2 1 245.326 1.680 20 0 BDADMP CC[N@@H+](CCOC)Cc1cccc2c[nH+]cn21 ZINC001238102359 980151757 /nfs/dbraw/zinc/15/17/57/980151757.db2.gz BNTOIYMKWUMJPV-UHFFFAOYSA-N 2 1 233.315 1.803 20 0 BDADMP C[N@H+](Cc1cccc2c[nH+]cn21)CC1COC1 ZINC001238112285 980159477 /nfs/dbraw/zinc/15/94/77/980159477.db2.gz BCWPFFHIJVPITQ-UHFFFAOYSA-N 2 1 231.299 1.413 20 0 BDADMP CN(Cc1cccc2c[nH+]cn21)[C@H]1CC[N@@H+](C)C1 ZINC001238114753 980162035 /nfs/dbraw/zinc/16/20/35/980162035.db2.gz VTLNQNBBOXXFFA-ZDUSSCGKSA-N 2 1 244.342 1.470 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC001345411214 980609539 /nfs/dbraw/zinc/60/95/39/980609539.db2.gz KLJWPUJSTGDDKU-CLRIEMFWSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnoc2)CC[C@@H]1C[NH3+] ZINC001205601663 981161263 /nfs/dbraw/zinc/16/12/63/981161263.db2.gz FTJHRIKTYKAFTL-ZYHUDNBSSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnoc2)CC[C@H]1C[NH3+] ZINC001205601659 981162381 /nfs/dbraw/zinc/16/23/81/981162381.db2.gz FTJHRIKTYKAFTL-JQWIXIFHSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602414 981164863 /nfs/dbraw/zinc/16/48/63/981164863.db2.gz IWQZNPYRBHTPAE-VOAKCMCISA-N 2 1 210.365 1.949 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC001205603542 981174242 /nfs/dbraw/zinc/17/42/42/981174242.db2.gz PZVIIMAQOTVHTH-DGCLKSJQSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N)n2)C[N@@H+]1C1CC1 ZINC001348031610 981251384 /nfs/dbraw/zinc/25/13/84/981251384.db2.gz OREMUBRBTDZVLF-DTWKUNHWSA-N 2 1 233.319 1.096 20 0 BDADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N)n2)C[N@H+]1C1CC1 ZINC001348031610 981251391 /nfs/dbraw/zinc/25/13/91/981251391.db2.gz OREMUBRBTDZVLF-DTWKUNHWSA-N 2 1 233.319 1.096 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c(N)n1 ZINC001348173308 981303427 /nfs/dbraw/zinc/30/34/27/981303427.db2.gz UWECBGKTTPNQNV-QWRGUYRKSA-N 2 1 247.346 1.122 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1C1=CC[NH2+]CC1 ZINC001240467995 981403759 /nfs/dbraw/zinc/40/37/59/981403759.db2.gz VUOYBHBCRFOUCX-UHFFFAOYSA-N 2 1 217.316 1.833 20 0 BDADMP Cc1ccccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664111 981807271 /nfs/dbraw/zinc/80/72/71/981807271.db2.gz LTLGQLJHEJQSGS-HNNXBMFYSA-N 2 1 248.370 1.671 20 0 BDADMP Cc1ccccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664112 981807964 /nfs/dbraw/zinc/80/79/64/981807964.db2.gz LTLGQLJHEJQSGS-OAHLLOKOSA-N 2 1 248.370 1.671 20 0 BDADMP CC1CC([NH2+]CCCCC[NH+]2CCNCC2)C1 ZINC001350956162 982126177 /nfs/dbraw/zinc/12/61/77/982126177.db2.gz MFOAEKZDYQVVTP-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP Nc1cc(-c2ccc(CC[NH3+])cc2)cc[nH+]1 ZINC001241169994 982313349 /nfs/dbraw/zinc/31/33/49/982313349.db2.gz GUFHTIMEQJUTDK-UHFFFAOYSA-N 2 1 213.284 1.832 20 0 BDADMP OCc1c[nH+]ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001351950554 982413231 /nfs/dbraw/zinc/41/32/31/982413231.db2.gz PXIDVAWNEGGDQF-OLZOCXBDSA-N 2 1 247.342 1.035 20 0 BDADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCO)CC1 ZINC001196934827 982502951 /nfs/dbraw/zinc/50/29/51/982502951.db2.gz FBYMQWJOYVTLIJ-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CCC=CO2)C1 ZINC001205802989 982554913 /nfs/dbraw/zinc/55/49/13/982554913.db2.gz DSKHQGXZCBURJH-JHJVBQTASA-N 2 1 224.348 1.738 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001205802989 982554920 /nfs/dbraw/zinc/55/49/20/982554920.db2.gz DSKHQGXZCBURJH-JHJVBQTASA-N 2 1 224.348 1.738 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@@H]2CCCCO2)C1 ZINC001205803930 982558558 /nfs/dbraw/zinc/55/85/58/982558558.db2.gz KRSVEXGXNPSDLT-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001205803930 982558562 /nfs/dbraw/zinc/55/85/62/982558562.db2.gz KRSVEXGXNPSDLT-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H](C)CC[C@H]2C[NH3+])n1C ZINC001205804360 982563860 /nfs/dbraw/zinc/56/38/60/982563860.db2.gz NGVNTFOBEZFUFX-PWSUYJOCSA-N 2 1 236.363 1.288 20 0 BDADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](C)O ZINC001353242662 982801418 /nfs/dbraw/zinc/80/14/18/982801418.db2.gz ZRBNFKWSORZIMS-NSHDSACASA-N 2 1 245.326 1.651 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2N)C1 ZINC001205851839 982835997 /nfs/dbraw/zinc/83/59/97/982835997.db2.gz CIWACMISQGMUNP-DGCLKSJQSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2N)C1 ZINC001205851839 982836000 /nfs/dbraw/zinc/83/60/00/982836000.db2.gz CIWACMISQGMUNP-DGCLKSJQSA-N 2 1 233.359 1.828 20 0 BDADMP Cc1c(N)cc[nH+]c1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242020144 983228686 /nfs/dbraw/zinc/22/86/86/983228686.db2.gz GQTQXFZYZUOFAY-MNOVXSKESA-N 2 1 215.300 1.880 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)nc(N)[nH+]1 ZINC001354393914 983298828 /nfs/dbraw/zinc/29/88/28/983298828.db2.gz DCBQEIRGAURPRI-GMTAPVOTSA-N 2 1 247.346 1.119 20 0 BDADMP Cc1cc(N)[nH+]cc1-c1c[nH+]ccc1N ZINC001242085486 983329760 /nfs/dbraw/zinc/32/97/60/983329760.db2.gz SFMIEGBJIHKTJQ-UHFFFAOYSA-N 2 1 200.245 1.447 20 0 BDADMP CC[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001201576510 983342744 /nfs/dbraw/zinc/34/27/44/983342744.db2.gz ZDUQWHXJTJUGIY-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201576510 983342747 /nfs/dbraw/zinc/34/27/47/983342747.db2.gz ZDUQWHXJTJUGIY-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201576510 983342753 /nfs/dbraw/zinc/34/27/53/983342753.db2.gz ZDUQWHXJTJUGIY-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]2C1 ZINC001355374933 983480760 /nfs/dbraw/zinc/48/07/60/983480760.db2.gz WCNKMRYJLALQRJ-YRGRVCCFSA-N 2 1 248.374 1.572 20 0 BDADMP C[C@@]1(C[NH2+]C[C@@]2(C)C[NH2+]CCO2)CCCS1 ZINC001576519935 984169609 /nfs/dbraw/zinc/16/96/09/984169609.db2.gz WJSYGZKOHCDMOB-NEPJUHHUSA-N 2 1 244.404 1.240 20 0 BDADMP COC(=O)/C(C)=C/C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001578768638 984223430 /nfs/dbraw/zinc/22/34/30/984223430.db2.gz GDUMMJBTMYDOET-IZZDOVSWSA-N 2 1 240.347 1.037 20 0 BDADMP COC(=O)C[C@@H]1C[N@@H+](CC(C)(C)C[NH3+])C[C@H]1C ZINC001578815364 984229909 /nfs/dbraw/zinc/22/99/09/984229909.db2.gz QOOCDXLANKIGIR-GHMZBOCLSA-N 2 1 242.363 1.102 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001579476884 984280763 /nfs/dbraw/zinc/28/07/63/984280763.db2.gz MEYLSLJUEXQJBB-RHYQMDGZSA-N 2 1 224.348 1.271 20 0 BDADMP C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001579508118 984284407 /nfs/dbraw/zinc/28/44/07/984284407.db2.gz SSJWCMITDZFRRM-NHYWBVRUSA-N 2 1 246.354 1.287 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000718183855 984405769 /nfs/dbraw/zinc/40/57/69/984405769.db2.gz IGFKQMHHULBIAO-LVEBTZEWSA-N 2 1 236.359 1.095 20 0 BDADMP C[N@H+]1CCCC2(CC[NH+](Cc3cn[nH]c3)CC2)C1 ZINC001275210969 984519993 /nfs/dbraw/zinc/51/99/93/984519993.db2.gz HXZFVQHOZYDHDN-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP OCc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001580884529 984616129 /nfs/dbraw/zinc/61/61/29/984616129.db2.gz GMCMCBLEAQGRID-CABCVRRESA-N 2 1 246.354 1.220 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccnn3)C[C@H]2CC1 ZINC001275875533 984715677 /nfs/dbraw/zinc/71/56/77/984715677.db2.gz XLKXCORBYBWVCZ-BETUJISGSA-N 2 1 246.358 1.250 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccnn3)C[C@H]2CC1 ZINC001275875533 984715719 /nfs/dbraw/zinc/71/57/19/984715719.db2.gz XLKXCORBYBWVCZ-BETUJISGSA-N 2 1 246.358 1.250 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccnn3)C[C@H]2CC1 ZINC001275875533 984715760 /nfs/dbraw/zinc/71/57/60/984715760.db2.gz XLKXCORBYBWVCZ-BETUJISGSA-N 2 1 246.358 1.250 20 0 BDADMP CC[NH+]1CCC(CN[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC001577763888 984730803 /nfs/dbraw/zinc/73/08/03/984730803.db2.gz LUSFEPPCOMPJDF-CYBMUJFWSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CCC[C@H](NCC2([NH3+])CCCC2)C1 ZINC001577770979 984784064 /nfs/dbraw/zinc/78/40/64/984784064.db2.gz QTFLOYCWEHYBGC-LBPRGKRZSA-N 2 1 225.380 1.332 20 0 BDADMP CCN1CCC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC001577770979 984784099 /nfs/dbraw/zinc/78/40/99/984784099.db2.gz QTFLOYCWEHYBGC-LBPRGKRZSA-N 2 1 225.380 1.332 20 0 BDADMP CC[NH2+][C@@H](C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001577807025 984800816 /nfs/dbraw/zinc/80/08/16/984800816.db2.gz MWSVBDNGIRETNJ-VIFPVBQESA-N 2 1 238.335 1.147 20 0 BDADMP CC[NH2+]C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001577821366 984807936 /nfs/dbraw/zinc/80/79/36/984807936.db2.gz LHSVDAXSCUBGPZ-UHFFFAOYSA-N 2 1 235.331 1.361 20 0 BDADMP CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001577936061 984822105 /nfs/dbraw/zinc/82/21/05/984822105.db2.gz NAPBDPUWCGFPQO-NWDGAFQWSA-N 2 1 242.363 1.102 20 0 BDADMP CCOC(=O)CC(C)(C)C[N@H+](C)C1CC([NH3+])C1 ZINC001577939534 984822491 /nfs/dbraw/zinc/82/24/91/984822491.db2.gz KSJHDGUYEALJQR-UHFFFAOYSA-N 2 1 242.363 1.387 20 0 BDADMP CCOC(=O)CC(C)(C)C[N@@H+](C)C1CC([NH3+])C1 ZINC001577939534 984822494 /nfs/dbraw/zinc/82/24/94/984822494.db2.gz KSJHDGUYEALJQR-UHFFFAOYSA-N 2 1 242.363 1.387 20 0 BDADMP CCOC(=O)CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC001577945407 984827236 /nfs/dbraw/zinc/82/72/36/984827236.db2.gz IBLMALNWDNQPNF-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP CCOC(=O)CC[N@@H+](CC1(C[NH3+])CC1)C1CC1 ZINC001577948495 984827570 /nfs/dbraw/zinc/82/75/70/984827570.db2.gz GGEIDUULNFLULT-UHFFFAOYSA-N 2 1 240.347 1.143 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cnoc1)CC2 ZINC001276249940 984835907 /nfs/dbraw/zinc/83/59/07/984835907.db2.gz DXRVFXQCDJCKCR-UHFFFAOYSA-N 2 1 235.331 1.592 20 0 BDADMP CCOC1CC([N@@H+](C)C[C@H](C[NH3+])C(C)C)C1 ZINC001578088014 984845959 /nfs/dbraw/zinc/84/59/59/984845959.db2.gz XWAJKSZGSPYVEV-HIFPTAJRSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H](C)O1 ZINC001257100972 984853685 /nfs/dbraw/zinc/85/36/85/984853685.db2.gz YTWXBOQDPOSQSZ-RVOPOGNISA-N 2 1 238.375 1.436 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@H](C)O1 ZINC001257100972 984853689 /nfs/dbraw/zinc/85/36/89/984853689.db2.gz YTWXBOQDPOSQSZ-RVOPOGNISA-N 2 1 238.375 1.436 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@H](C)O1 ZINC001257100972 984853692 /nfs/dbraw/zinc/85/36/92/984853692.db2.gz YTWXBOQDPOSQSZ-RVOPOGNISA-N 2 1 238.375 1.436 20 0 BDADMP CCC[C@H](CC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257248314 984855310 /nfs/dbraw/zinc/85/53/10/984855310.db2.gz LCKKIUDYZQFMPG-MNOVXSKESA-N 2 1 225.336 1.496 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2cc(C)ccn2)C[C@H]1C[NH3+] ZINC001578157420 984857670 /nfs/dbraw/zinc/85/76/70/984857670.db2.gz DPDUVYIDWITDDF-TZMCWYRMSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2cc(C)ccn2)C[C@H]1C[NH3+] ZINC001578157420 984857678 /nfs/dbraw/zinc/85/76/78/984857678.db2.gz DPDUVYIDWITDDF-TZMCWYRMSA-N 2 1 249.358 1.186 20 0 BDADMP C[N@@H+](C[C@@H](O)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000685985631 985024818 /nfs/dbraw/zinc/02/48/18/985024818.db2.gz WRGWHNMSGLRMIH-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@@H](O)C1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000685985631 985024829 /nfs/dbraw/zinc/02/48/29/985024829.db2.gz WRGWHNMSGLRMIH-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@@H](O)C1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000685985631 985024837 /nfs/dbraw/zinc/02/48/37/985024837.db2.gz WRGWHNMSGLRMIH-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP CN(C)c1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC001578426643 985053926 /nfs/dbraw/zinc/05/39/26/985053926.db2.gz AMHITMXZNWOOOU-LBPRGKRZSA-N 2 1 248.374 1.318 20 0 BDADMP CN(C)c1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC001578426643 985053942 /nfs/dbraw/zinc/05/39/42/985053942.db2.gz AMHITMXZNWOOOU-LBPRGKRZSA-N 2 1 248.374 1.318 20 0 BDADMP CN(C)c1cccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC001578427265 985060072 /nfs/dbraw/zinc/06/00/72/985060072.db2.gz OIFYHOXATBADER-AWEZNQCLSA-N 2 1 248.374 1.318 20 0 BDADMP CN(C)c1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC001578427265 985060090 /nfs/dbraw/zinc/06/00/90/985060090.db2.gz OIFYHOXATBADER-AWEZNQCLSA-N 2 1 248.374 1.318 20 0 BDADMP C[N@@H+](C[C@@]1(C)CCCCO1)C1CC[NH2+]CC1 ZINC001578445162 985079121 /nfs/dbraw/zinc/07/91/21/985079121.db2.gz IELRJQLVWRJNSH-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@H+](C[C@H]1CCC[C@H]1O)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578453284 985090511 /nfs/dbraw/zinc/09/05/11/985090511.db2.gz ZOBTWFTWCVSKHD-UMSGYPCISA-N 2 1 226.364 1.207 20 0 BDADMP C[N@@H+](CCCc1cccnc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578468793 985097046 /nfs/dbraw/zinc/09/70/46/985097046.db2.gz MVCGOLOAGVKVDV-WDNDVIMCSA-N 2 1 231.343 1.164 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCCCn1cccn1 ZINC001578466714 985099762 /nfs/dbraw/zinc/09/97/62/985099762.db2.gz RQRNQHUIILBTMP-UHFFFAOYSA-N 2 1 224.352 1.334 20 0 BDADMP CN(CC[N@@H+](C)C1CC1)C[C@H]1CC(F)(F)C[NH2+]1 ZINC001578470162 985107386 /nfs/dbraw/zinc/10/73/86/985107386.db2.gz QXDXOGVSQBOOBS-SNVBAGLBSA-N 2 1 247.333 1.010 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[NH2+]CC2)CC1 ZINC001578524657 985149064 /nfs/dbraw/zinc/14/90/64/985149064.db2.gz GZZRKKBDUXRULN-LBPRGKRZSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC001578529065 985158447 /nfs/dbraw/zinc/15/84/47/985158447.db2.gz PTKPESGFPPXQPX-YNEHKIRRSA-N 2 1 225.380 1.330 20 0 BDADMP CN1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC001578529579 985158687 /nfs/dbraw/zinc/15/86/87/985158687.db2.gz ZKJMBMNTXZKYIG-CHWSQXEVSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCCC[C@H]1CNCC1(C[NH3+])CCC1 ZINC001578529648 985158763 /nfs/dbraw/zinc/15/87/63/985158763.db2.gz WPCQIIKXEUSPOB-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP CN1CCCC[C@H]1C[NH2+]CC1(C[NH3+])CCC1 ZINC001578529648 985158781 /nfs/dbraw/zinc/15/87/81/985158781.db2.gz WPCQIIKXEUSPOB-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC001578528719 985158925 /nfs/dbraw/zinc/15/89/25/985158925.db2.gz KOKLTRBQLWACQW-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC001578622342 985237921 /nfs/dbraw/zinc/23/79/21/985237921.db2.gz SCGWUHOIHVAJQI-AAEUAGOBSA-N 2 1 228.380 1.325 20 0 BDADMP CO[C@H]1CC[C@H](C)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000687191483 985253803 /nfs/dbraw/zinc/25/38/03/985253803.db2.gz BGWIHCSNOZIPHW-VOAKCMCISA-N 2 1 226.364 1.341 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC001578656330 985277284 /nfs/dbraw/zinc/27/72/84/985277284.db2.gz IWBYACLFZIWTDK-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001578687530 985298578 /nfs/dbraw/zinc/29/85/78/985298578.db2.gz WKMMVLCTPAGETR-WCQYABFASA-N 2 1 236.363 1.065 20 0 BDADMP COC(=O)C1(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC001578781341 985349872 /nfs/dbraw/zinc/34/98/72/985349872.db2.gz OFHBKLGPBPAZIL-LLVKDONJSA-N 2 1 242.363 1.245 20 0 BDADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)[C@@H]1C ZINC001578790515 985362819 /nfs/dbraw/zinc/36/28/19/985362819.db2.gz YDFVBOIREWDCPM-ZYHUDNBSSA-N 2 1 240.347 1.012 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001578896057 985464096 /nfs/dbraw/zinc/46/40/96/985464096.db2.gz IHJUORSLTDXVGI-QCNOEVLYSA-N 2 1 212.337 1.284 20 0 BDADMP CO[C@@H](CC(C)C)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC001578900097 985470953 /nfs/dbraw/zinc/47/09/53/985470953.db2.gz BSKBRTZBTPXRBL-RYUDHWBXSA-N 2 1 228.380 1.717 20 0 BDADMP CO[C@@](C)(CO)C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC001578896295 985479523 /nfs/dbraw/zinc/47/95/23/985479523.db2.gz LLFYNPJJYMLLCF-WCQYABFASA-N 2 1 246.395 1.127 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000688021080 985493270 /nfs/dbraw/zinc/49/32/70/985493270.db2.gz INJUVQXKYZHSLN-KKOKHZNYSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000688021080 985493293 /nfs/dbraw/zinc/49/32/93/985493293.db2.gz INJUVQXKYZHSLN-KKOKHZNYSA-N 2 1 212.337 1.094 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2COC[C@H]2C)CC1 ZINC000688025356 985502889 /nfs/dbraw/zinc/50/28/89/985502889.db2.gz ZWROZBWFVYLBBQ-PWSUYJOCSA-N 2 1 212.337 1.095 20 0 BDADMP COCC1(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)CCC1 ZINC001578984874 985612931 /nfs/dbraw/zinc/61/29/31/985612931.db2.gz PIISBCWSMGQUBJ-GHMZBOCLSA-N 2 1 212.337 1.001 20 0 BDADMP c1cnc(C2=C[NH2+]CCC2)c(N2CC[NH2+]CC2)c1 ZINC001243950159 985641295 /nfs/dbraw/zinc/64/12/95/985641295.db2.gz WMWOWPGVGYHSRP-UHFFFAOYSA-N 2 1 244.342 1.216 20 0 BDADMP COCC[C@H]([NH3+])C[N@@H+](C)CCC1CCOCC1 ZINC001579000530 985645644 /nfs/dbraw/zinc/64/56/44/985645644.db2.gz XCURQTAOEDBSIY-ZDUSSCGKSA-N 2 1 244.379 1.099 20 0 BDADMP COCCSCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001579073032 985691334 /nfs/dbraw/zinc/69/13/34/985691334.db2.gz MICOBFMQAWZBBF-NSHDSACASA-N 2 1 232.393 1.037 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001579113984 985745262 /nfs/dbraw/zinc/74/52/62/985745262.db2.gz CTVJBKSUGOTLSL-NNYUYHANSA-N 2 1 212.337 1.284 20 0 BDADMP COc1ccc(F)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC001579222971 985825158 /nfs/dbraw/zinc/82/51/58/985825158.db2.gz QGAHAMZLMJGQRY-MGCOHNPYSA-N 2 1 224.279 1.414 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+]C(C)(C)C[NH3+])n1 ZINC001579269130 985825468 /nfs/dbraw/zinc/82/54/68/985825468.db2.gz NQGDCQFEACBLKC-SNVBAGLBSA-N 2 1 237.347 1.348 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001460609875 985869239 /nfs/dbraw/zinc/86/92/39/985869239.db2.gz ZVWLHKVHHRVYOU-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@](C)(O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001460609875 985869244 /nfs/dbraw/zinc/86/92/44/985869244.db2.gz ZVWLHKVHHRVYOU-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001460609875 985869248 /nfs/dbraw/zinc/86/92/48/985869248.db2.gz ZVWLHKVHHRVYOU-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@@H]1CO ZINC001579423261 985900712 /nfs/dbraw/zinc/90/07/12/985900712.db2.gz WTDXRROEUJHOPC-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP COCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460864759 985919968 /nfs/dbraw/zinc/91/99/68/985919968.db2.gz ROSFBMQIGDHSGD-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP COCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460864759 985919984 /nfs/dbraw/zinc/91/99/84/985919984.db2.gz ROSFBMQIGDHSGD-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP COCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460864759 985920001 /nfs/dbraw/zinc/92/00/01/985920001.db2.gz ROSFBMQIGDHSGD-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc[nH]2)C1 ZINC001206606750 985935188 /nfs/dbraw/zinc/93/51/88/985935188.db2.gz RPRYUTKQQDYTGJ-LLVKDONJSA-N 2 1 207.321 1.576 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1C(C)(C)O ZINC001579454621 985942727 /nfs/dbraw/zinc/94/27/27/985942727.db2.gz PDFNKLJJPQBQRG-WOPDTQHZSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001579454731 985948946 /nfs/dbraw/zinc/94/89/46/985948946.db2.gz YNIHFIVCFKDTDJ-ZOBORPQBSA-N 2 1 238.375 1.343 20 0 BDADMP Cc1[nH+]c(N)ccc1-c1cccc(OCC[NH3+])c1 ZINC001244324712 985952608 /nfs/dbraw/zinc/95/26/08/985952608.db2.gz FSAIHVAKDCXHJH-UHFFFAOYSA-N 2 1 243.310 1.977 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](C[C@@H]1CC1(Cl)Cl)C2 ZINC001579474088 985983780 /nfs/dbraw/zinc/98/37/80/985983780.db2.gz XFFJLQNGSNRWTN-AEJSXWLSSA-N 2 1 249.185 1.722 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@@H]1CC1(Cl)Cl)C2 ZINC001579474088 985983790 /nfs/dbraw/zinc/98/37/90/985983790.db2.gz XFFJLQNGSNRWTN-AEJSXWLSSA-N 2 1 249.185 1.722 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC001579492789 986025643 /nfs/dbraw/zinc/02/56/43/986025643.db2.gz YTSUNUURBLCYJN-ALUZDYTJSA-N 2 1 238.375 1.340 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC001579543865 986073412 /nfs/dbraw/zinc/07/34/12/986073412.db2.gz MDWHOWRAEGZWCD-DGCLKSJQSA-N 2 1 249.358 1.716 20 0 BDADMP Cc1cc(C)cc(C[NH2+]C[C@@]2(O)CC[NH2+]C2)c1 ZINC001579581044 986093373 /nfs/dbraw/zinc/09/33/73/986093373.db2.gz FEMKIGGJTGLXHU-CQSZACIVSA-N 2 1 234.343 1.117 20 0 BDADMP CC[C@@H](C)C[C@H](CC)[N@H+](CC[NH3+])CCO ZINC001258778866 986166361 /nfs/dbraw/zinc/16/63/61/986166361.db2.gz MUBFVERDSLZQSC-NEPJUHHUSA-N 2 1 216.369 1.454 20 0 BDADMP CC[C@@H](C)C[C@H](CC)[N@@H+](CC[NH3+])CCO ZINC001258778866 986166384 /nfs/dbraw/zinc/16/63/84/986166384.db2.gz MUBFVERDSLZQSC-NEPJUHHUSA-N 2 1 216.369 1.454 20 0 BDADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[NH2+]2)cc1 ZINC001579684933 986177700 /nfs/dbraw/zinc/17/77/00/986177700.db2.gz ZDEAPVVXPLMKQB-GXTWGEPZSA-N 2 1 218.344 1.878 20 0 BDADMP Cn1cc(Cl)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC001579964883 986359105 /nfs/dbraw/zinc/35/91/05/986359105.db2.gz ITIIQRJKNBZJNK-VIFPVBQESA-N 2 1 242.754 1.244 20 0 BDADMP Cn1cc(Cl)c(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC001579964883 986359125 /nfs/dbraw/zinc/35/91/25/986359125.db2.gz ITIIQRJKNBZJNK-VIFPVBQESA-N 2 1 242.754 1.244 20 0 BDADMP Cn1cc(C[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)cn1 ZINC001579961279 986362879 /nfs/dbraw/zinc/36/28/79/986362879.db2.gz HBQXGXVDDRDGDH-UONOGXRCSA-N 2 1 248.374 1.371 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000689188490 986381080 /nfs/dbraw/zinc/38/10/80/986381080.db2.gz WHDXNPFXIPCKJQ-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000689188490 986381095 /nfs/dbraw/zinc/38/10/95/986381095.db2.gz WHDXNPFXIPCKJQ-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP FC(F)n1cccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001580024050 986427147 /nfs/dbraw/zinc/42/71/47/986427147.db2.gz OCIGEWLGJZMZDF-MYJAWHEDSA-N 2 1 227.258 1.191 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000689403841 986561786 /nfs/dbraw/zinc/56/17/86/986561786.db2.gz DIWYIDVKSDVNGB-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP [NH3+][C@H](C[NH2+]CC1(CCO)CC1)CC(F)(F)F ZINC001580131410 986591624 /nfs/dbraw/zinc/59/16/24/986591624.db2.gz DFXCNSWALVJHPU-QMMMGPOBSA-N 2 1 240.269 1.018 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)nc1 ZINC000689442452 986612708 /nfs/dbraw/zinc/61/27/08/986612708.db2.gz AGXWRASHSTWYNQ-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCCO1 ZINC001254516531 986649475 /nfs/dbraw/zinc/64/94/75/986649475.db2.gz NVKAWFHICJKMJO-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCCO1 ZINC001254516531 986649488 /nfs/dbraw/zinc/64/94/88/986649488.db2.gz NVKAWFHICJKMJO-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCCO1 ZINC001254516531 986649503 /nfs/dbraw/zinc/64/95/03/986649503.db2.gz NVKAWFHICJKMJO-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(COC3)CC2)CC1 ZINC001254516250 986653189 /nfs/dbraw/zinc/65/31/89/986653189.db2.gz LEXLYCAIBSHYSH-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(COC3)CC2)CC1 ZINC001254516250 986653207 /nfs/dbraw/zinc/65/32/07/986653207.db2.gz LEXLYCAIBSHYSH-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001254527549 986673798 /nfs/dbraw/zinc/67/37/98/986673798.db2.gz ZRKJEXCYPTZQFI-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001254527549 986673807 /nfs/dbraw/zinc/67/38/07/986673807.db2.gz ZRKJEXCYPTZQFI-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001254527549 986673815 /nfs/dbraw/zinc/67/38/15/986673815.db2.gz ZRKJEXCYPTZQFI-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000379995673 986691900 /nfs/dbraw/zinc/69/19/00/986691900.db2.gz IFPVFWCUCFCPEL-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000379995664 986692790 /nfs/dbraw/zinc/69/27/90/986692790.db2.gz IFPVFWCUCFCPEL-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@@]12C[N@H+](Cc3c[nH]cn3)C[C@@H]1CCCC2 ZINC001580256900 986711501 /nfs/dbraw/zinc/71/15/01/986711501.db2.gz ZOXQHRWNIHMLCE-AAEUAGOBSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@@]12C[N@@H+](Cc3c[nH]cn3)C[C@@H]1CCCC2 ZINC001580256900 986711508 /nfs/dbraw/zinc/71/15/08/986711508.db2.gz ZOXQHRWNIHMLCE-AAEUAGOBSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CC2(O)CCCCCC2)C1 ZINC001580265779 986720273 /nfs/dbraw/zinc/72/02/73/986720273.db2.gz QPKBBQGEZPVGKF-LBPRGKRZSA-N 2 1 226.364 1.352 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn(C3CC3)cn2)C1 ZINC001580286548 986730501 /nfs/dbraw/zinc/73/05/01/986730501.db2.gz JDVSWFJFQUQDGW-GFCCVEGCSA-N 2 1 248.374 1.779 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](c3ccncc3)C2)C1 ZINC001580387371 986812484 /nfs/dbraw/zinc/81/24/84/986812484.db2.gz BOWZAYMFOGWTNF-AEGPPILISA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CC[C@H](n2cc(C[NH3+])c3ccccc32)C1 ZINC001255413141 986939553 /nfs/dbraw/zinc/93/95/53/986939553.db2.gz UECLCUZDIGBVFV-LBPRGKRZSA-N 2 1 229.327 1.977 20 0 BDADMP C[N@H+]1CC[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001255419697 986941908 /nfs/dbraw/zinc/94/19/08/986941908.db2.gz DFHPNADVDXCADO-VXGBXAGGSA-N 2 1 231.343 1.253 20 0 BDADMP C[N@H+]1CC[C@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001255419600 986941931 /nfs/dbraw/zinc/94/19/31/986941931.db2.gz DFHPNADVDXCADO-RYUDHWBXSA-N 2 1 231.343 1.253 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)CC(F)(F)F ZINC001255638443 987038374 /nfs/dbraw/zinc/03/83/74/987038374.db2.gz AWLYUGUFEZVHCG-SFYZADRCSA-N 2 1 212.259 1.854 20 0 BDADMP CCCCC[C@H](O)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001245970218 987241019 /nfs/dbraw/zinc/24/10/19/987241019.db2.gz BHIJCAHEUJRDDM-AVGNSLFASA-N 2 1 228.380 1.658 20 0 BDADMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001245987863 987270141 /nfs/dbraw/zinc/27/01/41/987270141.db2.gz CRNFKFYBOMTYSO-GHMZBOCLSA-N 2 1 214.353 1.125 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001246006830 987287132 /nfs/dbraw/zinc/28/71/32/987287132.db2.gz VTMDDZFPUQAQAC-SKDRFNHKSA-N 2 1 244.285 1.325 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000691642812 987288638 /nfs/dbraw/zinc/28/86/38/987288638.db2.gz IEIHZSFVEQDZTH-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016543 987301797 /nfs/dbraw/zinc/30/17/97/987301797.db2.gz LWZLVZGBYABQBH-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246022119 987309979 /nfs/dbraw/zinc/30/99/79/987309979.db2.gz OWPOJPBODHRCSU-OLZOCXBDSA-N 2 1 228.380 1.598 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246022011 987310892 /nfs/dbraw/zinc/31/08/92/987310892.db2.gz ODGXZYLWNGPKAG-OLZOCXBDSA-N 2 1 228.380 1.454 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693710433 987313617 /nfs/dbraw/zinc/31/36/17/987313617.db2.gz CIWIEPGEGWMVSI-FRRDWIJNSA-N 2 1 248.374 1.286 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000693737737 987315640 /nfs/dbraw/zinc/31/56/40/987315640.db2.gz GOZGTVVTKLPBOP-FZMZJTMJSA-N 2 1 248.374 1.734 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000693737737 987315646 /nfs/dbraw/zinc/31/56/46/987315646.db2.gz GOZGTVVTKLPBOP-FZMZJTMJSA-N 2 1 248.374 1.734 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246024436 987318723 /nfs/dbraw/zinc/31/87/23/987318723.db2.gz VRLLHPBILBQEMA-MJBXVCDLSA-N 2 1 242.407 1.844 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246030150 987333223 /nfs/dbraw/zinc/33/32/23/987333223.db2.gz FBCQEQSHVWNTBU-NEPJUHHUSA-N 2 1 214.353 1.208 20 0 BDADMP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246033260 987335848 /nfs/dbraw/zinc/33/58/48/987335848.db2.gz UPSMPIOLVHCBBR-GARJFASQSA-N 2 1 232.343 1.155 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246033260 987335853 /nfs/dbraw/zinc/33/58/53/987335853.db2.gz UPSMPIOLVHCBBR-GARJFASQSA-N 2 1 232.343 1.155 20 0 BDADMP CCCCC[C@H](O)C[NH+]1CC(C)(C[NH3+])C1 ZINC001246033847 987338150 /nfs/dbraw/zinc/33/81/50/987338150.db2.gz LTNDIRCFZAOYBT-NSHDSACASA-N 2 1 214.353 1.208 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000697017506 987348158 /nfs/dbraw/zinc/34/81/58/987348158.db2.gz UIDUYTJNTXZTMP-RWMBFGLXSA-N 2 1 222.376 1.964 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCCC[NH2+]C1 ZINC000697034962 987348595 /nfs/dbraw/zinc/34/85/95/987348595.db2.gz QBRBQAWHPBABHV-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246060956 987349855 /nfs/dbraw/zinc/34/98/55/987349855.db2.gz RZBFMBGLYYDTEQ-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000697670716 987364031 /nfs/dbraw/zinc/36/40/31/987364031.db2.gz NELKGPJXAIBVHE-LBPRGKRZSA-N 2 1 238.379 1.046 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCSC(F)(F)F ZINC000698947372 987373423 /nfs/dbraw/zinc/37/34/23/987373423.db2.gz UPQACZXIMWYRET-UHFFFAOYSA-N 2 1 246.298 1.147 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@](C)(O)C(F)F ZINC000699623577 987376670 /nfs/dbraw/zinc/37/66/70/987376670.db2.gz LAEODDDIDMOZGU-NSHDSACASA-N 2 1 247.289 1.187 20 0 BDADMP C[N@H+]1CCC[C@@H](NCC2([NH3+])CCCC2)CC1 ZINC001246084802 987382753 /nfs/dbraw/zinc/38/27/53/987382753.db2.gz RMNOXVLNZTVXDZ-GFCCVEGCSA-N 2 1 225.380 1.332 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC001246087655 987390394 /nfs/dbraw/zinc/39/03/94/987390394.db2.gz ZRWMARUUHFEZHX-BJDJZHNGSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[NH2+]1 ZINC001246090551 987394636 /nfs/dbraw/zinc/39/46/36/987394636.db2.gz YKFSBTLPKUVDKG-KKOKHZNYSA-N 2 1 214.328 1.997 20 0 BDADMP CC(C)(C)[C@@H]1C[C@@H](NCC2(F)C[NH2+]C2)CC[NH2+]1 ZINC001246090975 987397950 /nfs/dbraw/zinc/39/79/50/987397950.db2.gz AOAIRODIAQDNMH-QWRGUYRKSA-N 2 1 243.370 1.054 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246093078 987403216 /nfs/dbraw/zinc/40/32/16/987403216.db2.gz VCJZHEPRBRHJJD-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)C[NH2+]1 ZINC001246093674 987403304 /nfs/dbraw/zinc/40/33/04/987403304.db2.gz WDTWUWLQHNDFFJ-ZDEQEGDKSA-N 2 1 226.364 1.410 20 0 BDADMP C1C[C@H]2CC([NH2+][C@H]3CCC[NH2+]CC3)C[C@@H]1[NH2+]2 ZINC001246096981 987411126 /nfs/dbraw/zinc/41/11/26/987411126.db2.gz MDNQOQSLTCJEGF-ACJTYDJDSA-N 3 1 223.364 1.001 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246100404 987418944 /nfs/dbraw/zinc/41/89/44/987418944.db2.gz CUHQYCHLWZIOOR-MBNYWOFBSA-N 2 1 233.359 1.600 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246109917 987440902 /nfs/dbraw/zinc/44/09/02/987440902.db2.gz LDXPCXBBXPGRGY-USZNOCQGSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246112733 987449737 /nfs/dbraw/zinc/44/97/37/987449737.db2.gz MQPCDQQAMWDHOQ-CLLJXQQHSA-N 3 1 227.396 1.495 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@@H]1CCCCNC1 ZINC001246114157 987450145 /nfs/dbraw/zinc/45/01/45/987450145.db2.gz UTVLQYILWGJMMA-HZSPNIEDSA-N 2 1 239.407 1.354 20 0 BDADMP CCOCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116050 987456287 /nfs/dbraw/zinc/45/62/87/987456287.db2.gz DDTONTKGNMCQSY-IJLUTSLNSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246116209 987459841 /nfs/dbraw/zinc/45/98/41/987459841.db2.gz VYTNKYTZBVHEFH-UMVBOHGHSA-N 2 1 247.386 1.990 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246116817 987460193 /nfs/dbraw/zinc/46/01/93/987460193.db2.gz XENNVWKZDNDHJP-UPJWGTAASA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246123490 987473551 /nfs/dbraw/zinc/47/35/51/987473551.db2.gz APUMSRVPVJLHCY-JHJVBQTASA-N 2 1 237.391 1.249 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246129599 987479522 /nfs/dbraw/zinc/47/95/22/987479522.db2.gz GFHAUDMMXKBOFW-IJLUTSLNSA-N 2 1 224.348 1.286 20 0 BDADMP CCOCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130238 987483333 /nfs/dbraw/zinc/48/33/33/987483333.db2.gz UPVUQNPCKUVLAF-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP OCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246151453 987514292 /nfs/dbraw/zinc/51/42/92/987514292.db2.gz DJYLQFMVVYIRGE-AWEZNQCLSA-N 2 1 234.343 1.452 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246162354 987520846 /nfs/dbraw/zinc/52/08/46/987520846.db2.gz OZWGTRDCUMUHBX-UONOGXRCSA-N 3 1 239.407 1.593 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246169650 987532721 /nfs/dbraw/zinc/53/27/21/987532721.db2.gz IUCSYBTVUNOHHK-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246169649 987532908 /nfs/dbraw/zinc/53/29/08/987532908.db2.gz IUCSYBTVUNOHHK-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP CN(C)c1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246176773 987542544 /nfs/dbraw/zinc/54/25/44/987542544.db2.gz RWGIYGZKRYRXBB-CQSZACIVSA-N 2 1 247.386 1.637 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246183559 987553964 /nfs/dbraw/zinc/55/39/64/987553964.db2.gz FUTLCTXNSRXLOW-ZIAGYGMSSA-N 2 1 241.423 1.839 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]1 ZINC001246185126 987561324 /nfs/dbraw/zinc/56/13/24/987561324.db2.gz RUJBKDBDXUGXMK-XHJNMGKDSA-N 2 1 237.391 1.342 20 0 BDADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1O ZINC001246186379 987564446 /nfs/dbraw/zinc/56/44/46/987564446.db2.gz ZUDQLCOMSJYRPY-UHFFFAOYSA-N 2 1 236.315 1.242 20 0 BDADMP C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC001246186227 987568054 /nfs/dbraw/zinc/56/80/54/987568054.db2.gz GPUISYGIJRZHJR-BFHYXJOUSA-N 2 1 237.391 1.250 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473843879 987571622 /nfs/dbraw/zinc/57/16/22/987571622.db2.gz OGFFPACOXPYTHE-RDBSUJKOSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@@H](O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473843879 987571636 /nfs/dbraw/zinc/57/16/36/987571636.db2.gz OGFFPACOXPYTHE-RDBSUJKOSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@@H](O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473843879 987571645 /nfs/dbraw/zinc/57/16/45/987571645.db2.gz OGFFPACOXPYTHE-RDBSUJKOSA-N 2 1 240.391 1.277 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188070 987574245 /nfs/dbraw/zinc/57/42/45/987574245.db2.gz UHCKEWXNVNZGAX-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP CCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001246197723 987592013 /nfs/dbraw/zinc/59/20/13/987592013.db2.gz BVIDBLFNCOUDRZ-UHFFFAOYSA-N 2 1 235.331 1.322 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246199300 987595784 /nfs/dbraw/zinc/59/57/84/987595784.db2.gz UNADWJIHOKRRKP-IJLUTSLNSA-N 3 1 225.380 1.105 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CCC[NH2+]C1)C2 ZINC001246199578 987596501 /nfs/dbraw/zinc/59/65/01/987596501.db2.gz XIIYOPHLNIKOQY-SYQHCUMBSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001246199578 987596511 /nfs/dbraw/zinc/59/65/11/987596511.db2.gz XIIYOPHLNIKOQY-SYQHCUMBSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC001246199578 987596517 /nfs/dbraw/zinc/59/65/17/987596517.db2.gz XIIYOPHLNIKOQY-SYQHCUMBSA-N 3 1 237.391 1.201 20 0 BDADMP CCCC[C@H](CO)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246211216 987607883 /nfs/dbraw/zinc/60/78/83/987607883.db2.gz QAGUEZHKAMRVIC-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CCOCC2)CC[NH2+]1 ZINC001246216565 987614948 /nfs/dbraw/zinc/61/49/48/987614948.db2.gz MCAMLYDNZWELKF-MNOVXSKESA-N 2 1 230.327 1.235 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246226743 987622015 /nfs/dbraw/zinc/62/20/15/987622015.db2.gz BODOQMNJNKIHMC-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246226739 987622302 /nfs/dbraw/zinc/62/23/02/987622302.db2.gz BODOQMNJNKIHMC-FRRDWIJNSA-N 3 1 225.380 1.106 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246238899 987638292 /nfs/dbraw/zinc/63/82/92/987638292.db2.gz AUZGGSPBMHJYJH-MGPQQGTHSA-N 3 1 239.407 1.639 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@H](CO)C(C)(C)C)C[NH2+]1 ZINC001246238047 987639150 /nfs/dbraw/zinc/63/91/50/987639150.db2.gz VEQSWAIDXGFJIS-DCAQKATOSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246244234 987645966 /nfs/dbraw/zinc/64/59/66/987645966.db2.gz LGRCLCQUOUMUNZ-FRRDWIJNSA-N 3 1 225.380 1.249 20 0 BDADMP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246247278 987648839 /nfs/dbraw/zinc/64/88/39/987648839.db2.gz SUPGLLPWOLMQMG-OLZOCXBDSA-N 3 1 239.407 1.639 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2=O)CC[NH2+]1 ZINC001246262065 987649603 /nfs/dbraw/zinc/64/96/03/987649603.db2.gz HLTQHZITIXSWRG-MXWKQRLJSA-N 2 1 210.321 1.228 20 0 BDADMP Cc1occc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246255586 987653008 /nfs/dbraw/zinc/65/30/08/987653008.db2.gz LXXHCXCSVIKRNE-BXKDBHETSA-N 2 1 208.305 1.818 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC001246258296 987655815 /nfs/dbraw/zinc/65/58/15/987655815.db2.gz WCRIZKNHRBMXJJ-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC001246274953 987669554 /nfs/dbraw/zinc/66/95/54/987669554.db2.gz XMJGHYMWUWPIST-HZSPNIEDSA-N 3 1 239.407 1.495 20 0 BDADMP CCC1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246296901 987689629 /nfs/dbraw/zinc/68/96/29/987689629.db2.gz CULAGMAPPQGBRA-POOIEITISA-N 2 1 226.364 1.125 20 0 BDADMP CCCC1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246297228 987690094 /nfs/dbraw/zinc/69/00/94/987690094.db2.gz FBNLBQAYXNAPJS-YIOUJQMASA-N 2 1 240.391 1.515 20 0 BDADMP CC1(C)CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2CO)C1 ZINC001246301566 987697237 /nfs/dbraw/zinc/69/72/37/987697237.db2.gz XVCITIBVXGKTAQ-SDDRHHMPSA-N 2 1 226.364 1.125 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246301677 987698750 /nfs/dbraw/zinc/69/87/50/987698750.db2.gz UVSQUMQTHALNTE-NDBYEHHHSA-N 3 1 227.396 1.623 20 0 BDADMP CC1(C)CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246301247 987698777 /nfs/dbraw/zinc/69/87/77/987698777.db2.gz WZXLYIYXBMKHJB-ZYHUDNBSSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC(C)(C)C1 ZINC001246304069 987701321 /nfs/dbraw/zinc/70/13/21/987701321.db2.gz GSBYPXQEGNUHOA-MROQNXINSA-N 2 1 240.391 1.371 20 0 BDADMP CCCC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH3+])CC[NH2+]1 ZINC001246303342 987701440 /nfs/dbraw/zinc/70/14/40/987701440.db2.gz HNPSPSMMJSMMAP-AGIUHOORSA-N 3 1 227.396 1.624 20 0 BDADMP CC(C)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246303173 987701671 /nfs/dbraw/zinc/70/16/71/987701671.db2.gz DWOFYKVRGCSNOL-GNRIBBGQSA-N 2 1 240.391 1.371 20 0 BDADMP CC(C)CC(CC(C)C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246309716 987707115 /nfs/dbraw/zinc/70/71/15/987707115.db2.gz SSJRWEWKSUUPNG-JSGCOSHPSA-N 2 1 242.407 1.617 20 0 BDADMP CC[C@H](N)C[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246310954 987712692 /nfs/dbraw/zinc/71/26/92/987712692.db2.gz AWHUNVMVHMBYFU-YNEHKIRRSA-N 2 1 225.380 1.236 20 0 BDADMP CC[C@H](N)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001246316392 987720481 /nfs/dbraw/zinc/72/04/81/987720481.db2.gz ZFNPHNPHLQFBCO-LBPRGKRZSA-N 2 1 248.374 1.377 20 0 BDADMP CC[C@@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246319278 987724997 /nfs/dbraw/zinc/72/49/97/987724997.db2.gz UTKRTARNYLENGW-CABCVRRESA-N 2 1 247.386 1.588 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001246319278 987725003 /nfs/dbraw/zinc/72/50/03/987725003.db2.gz UTKRTARNYLENGW-CABCVRRESA-N 2 1 247.386 1.588 20 0 BDADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246322255 987729237 /nfs/dbraw/zinc/72/92/37/987729237.db2.gz GUNROJPVFKLQKU-UTUOFQBUSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@](C)(CO)c2ccccc2)CC[NH2+]1 ZINC001246326853 987732177 /nfs/dbraw/zinc/73/21/77/987732177.db2.gz OVJPATSXBJMSEF-BPLDGKMQSA-N 2 1 248.370 1.624 20 0 BDADMP CC(C)[C@@H](N)C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246330116 987735018 /nfs/dbraw/zinc/73/50/18/987735018.db2.gz ALMQPFCHMPJIBX-MOKVOYLWSA-N 2 1 239.407 1.482 20 0 BDADMP C[NH+]1CCC(N[C@@]23CC[C@@]([NH3+])(C2)CCC3)CC1 ZINC001246338194 987745750 /nfs/dbraw/zinc/74/57/50/987745750.db2.gz CSABYXIYCWFRNQ-KGLIPLIRSA-N 2 1 237.391 1.474 20 0 BDADMP CC[N@@H+]1CC[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246338311 987748683 /nfs/dbraw/zinc/74/86/83/987748683.db2.gz FRAXFFUSUULBCS-MCIONIFRSA-N 2 1 237.391 1.474 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246338311 987748691 /nfs/dbraw/zinc/74/86/91/987748691.db2.gz FRAXFFUSUULBCS-MCIONIFRSA-N 2 1 237.391 1.474 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)N[C@H]1CCC[NH2+]C1 ZINC001246351780 987761227 /nfs/dbraw/zinc/76/12/27/987761227.db2.gz NYZOSUCUURZMBE-YPMHNXCESA-N 2 1 234.343 1.665 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246351780 987761234 /nfs/dbraw/zinc/76/12/34/987761234.db2.gz NYZOSUCUURZMBE-YPMHNXCESA-N 2 1 234.343 1.665 20 0 BDADMP COC(=O)CCCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246358361 987767414 /nfs/dbraw/zinc/76/74/14/987767414.db2.gz OWHHRUSPNMPCJL-VXGBXAGGSA-N 2 1 242.363 1.450 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246361263 987768303 /nfs/dbraw/zinc/76/83/03/987768303.db2.gz ZCXFLSMYKWROBM-WISYIIOYSA-N 2 1 208.349 1.763 20 0 BDADMP C[C@H]1CC[C@@H](N[C@H]2CC[N@H+](C3CCC3)C2)C[NH2+]1 ZINC001246359453 987769328 /nfs/dbraw/zinc/76/93/28/987769328.db2.gz BPNIRWHXPYTQOT-XQQFMLRXSA-N 2 1 237.391 1.343 20 0 BDADMP CC(C)(C)[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH3+])CC[NH2+]1 ZINC001246363997 987772808 /nfs/dbraw/zinc/77/28/08/987772808.db2.gz RLEUFCCYBHLACJ-VXGBXAGGSA-N 3 1 241.423 1.870 20 0 BDADMP CC(C)(C[NH2+][C@@H]1CCC[NH2+]C1)Cc1ccncc1 ZINC001246400553 987784416 /nfs/dbraw/zinc/78/44/16/987784416.db2.gz OSMUJJIHGITTKR-CQSZACIVSA-N 2 1 247.386 1.992 20 0 BDADMP c1cncc(CC2(C[NH2+][C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246435472 987797783 /nfs/dbraw/zinc/79/77/83/987797783.db2.gz RALJMMDCMRJRCW-CQSZACIVSA-N 2 1 245.370 1.746 20 0 BDADMP CCC1([NH2+][C@@H]2CCC[NH2+]C2)CCOCC1 ZINC001246439987 987800264 /nfs/dbraw/zinc/80/02/64/987800264.db2.gz DXSVNLGUUDHZMW-LLVKDONJSA-N 2 1 212.337 1.287 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246447738 987805105 /nfs/dbraw/zinc/80/51/05/987805105.db2.gz WJOIWDRSXWFLSE-GXSJLCMTSA-N 2 1 206.289 1.162 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246447746 987806007 /nfs/dbraw/zinc/80/60/07/987806007.db2.gz WJOIWDRSXWFLSE-KOLCDFICSA-N 2 1 206.289 1.162 20 0 BDADMP C[C@H]1C[C@@H](NC2C[NH+](C(C)(C)C)C2)CC[NH2+]1 ZINC001246449448 987807474 /nfs/dbraw/zinc/80/74/74/987807474.db2.gz WNRIBLJVTUQHPH-QWRGUYRKSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246451000 987808601 /nfs/dbraw/zinc/80/86/01/987808601.db2.gz SQBHSDDKZNLNMR-CRWXNKLISA-N 3 1 239.407 1.482 20 0 BDADMP CCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453449 987809304 /nfs/dbraw/zinc/80/93/04/987809304.db2.gz ONCQONWFUPEDLW-NSHDSACASA-N 3 1 201.358 1.093 20 0 BDADMP C[C@H](CC1CC1)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246455943 987812859 /nfs/dbraw/zinc/81/28/59/987812859.db2.gz YOIVMZOVDBSPCW-LLVKDONJSA-N 3 1 213.369 1.093 20 0 BDADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246497898 987853200 /nfs/dbraw/zinc/85/32/00/987853200.db2.gz OFKDVKFOWMWQFX-NOOOWODRSA-N 2 1 240.347 1.058 20 0 BDADMP [NH3+]C[C@@H](N[C@@H]1CCC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246507457 987861007 /nfs/dbraw/zinc/86/10/07/987861007.db2.gz PMXWEEZFPXYGLU-ZIAGYGMSSA-N 2 1 245.370 1.418 20 0 BDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520710 987869991 /nfs/dbraw/zinc/86/99/91/987869991.db2.gz VJJSQULFLRERTH-AWEZNQCLSA-N 2 1 245.370 1.212 20 0 BDADMP C1C[N@H+](C2CC[NH2+]CC2)CC2(C1)CC[NH2+]CC2 ZINC001246525309 987874941 /nfs/dbraw/zinc/87/49/41/987874941.db2.gz VZEBEHHMLUYZQE-UHFFFAOYSA-N 2 1 237.391 1.204 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CC[C@](C)([NH3+])C3)C[C@@H]21 ZINC001246532810 987891475 /nfs/dbraw/zinc/89/14/75/987891475.db2.gz YJBSGXRRLURASC-NOHGZBONSA-N 2 1 208.349 1.844 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@](C)([NH3+])C1)C2 ZINC001246531698 987891855 /nfs/dbraw/zinc/89/18/55/987891855.db2.gz SHDATTLVWABENG-YVECIDJPSA-N 2 1 223.364 1.035 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@H]1CCSC1 ZINC001246536677 987895731 /nfs/dbraw/zinc/89/57/31/987895731.db2.gz BHJGFLHLQHJCMU-GUBZILKMSA-N 2 1 200.351 1.304 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@H]1CCSC1 ZINC001246536677 987895735 /nfs/dbraw/zinc/89/57/35/987895735.db2.gz BHJGFLHLQHJCMU-GUBZILKMSA-N 2 1 200.351 1.304 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540736 987904098 /nfs/dbraw/zinc/90/40/98/987904098.db2.gz KAMXNZYKHFLTAN-UMSGYPCISA-N 3 1 225.380 1.044 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540736 987904107 /nfs/dbraw/zinc/90/41/07/987904107.db2.gz KAMXNZYKHFLTAN-UMSGYPCISA-N 3 1 225.380 1.044 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246541977 987911090 /nfs/dbraw/zinc/91/10/90/987911090.db2.gz HZPQOBKWTRFACI-MCIONIFRSA-N 2 1 240.391 1.741 20 0 BDADMP CSCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544885 987922883 /nfs/dbraw/zinc/92/28/83/987922883.db2.gz HUOAGUZGCKBSCZ-WDEREUQCSA-N 2 1 216.394 1.941 20 0 BDADMP C[C@]1(O)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246547393 987924642 /nfs/dbraw/zinc/92/46/42/987924642.db2.gz HZDKCUKYDNBQPU-PIGZVRMJSA-N 2 1 238.375 1.506 20 0 BDADMP CCSC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246549864 987935188 /nfs/dbraw/zinc/93/51/88/987935188.db2.gz INZXIRUYDNIPRV-VXGBXAGGSA-N 2 1 246.420 1.304 20 0 BDADMP C[C@@H]1CC([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549688 987935284 /nfs/dbraw/zinc/93/52/84/987935284.db2.gz HQHALNSEQRGOFV-LOWDOPEQSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1CC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549688 987935296 /nfs/dbraw/zinc/93/52/96/987935296.db2.gz HQHALNSEQRGOFV-LOWDOPEQSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1CC([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549685 987936244 /nfs/dbraw/zinc/93/62/44/987936244.db2.gz HQHALNSEQRGOFV-FDYHWXHSSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1CC([N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549685 987936251 /nfs/dbraw/zinc/93/62/51/987936251.db2.gz HQHALNSEQRGOFV-FDYHWXHSSA-N 3 1 239.407 1.432 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549854 987938435 /nfs/dbraw/zinc/93/84/35/987938435.db2.gz IMNQMUKIKQEJOT-TZMCWYRMSA-N 3 1 239.407 1.720 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549854 987938446 /nfs/dbraw/zinc/93/84/46/987938446.db2.gz IMNQMUKIKQEJOT-TZMCWYRMSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001246549499 987939038 /nfs/dbraw/zinc/93/90/38/987939038.db2.gz KYMDDJDEMBZFEJ-VWMGYNLJSA-N 2 1 222.332 1.166 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001246549499 987939047 /nfs/dbraw/zinc/93/90/47/987939047.db2.gz KYMDDJDEMBZFEJ-VWMGYNLJSA-N 2 1 222.332 1.166 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547942 987940049 /nfs/dbraw/zinc/94/00/49/987940049.db2.gz DKHKXOGJPVOBOT-PIGZVRMJSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547942 987940089 /nfs/dbraw/zinc/94/00/89/987940089.db2.gz DKHKXOGJPVOBOT-PIGZVRMJSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246551075 987941691 /nfs/dbraw/zinc/94/16/91/987941691.db2.gz KMAFBWZMSHKQKV-ZOBORPQBSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCSC2)CC1 ZINC001246550857 987942536 /nfs/dbraw/zinc/94/25/36/987942536.db2.gz ORTWYJBIEJHBSK-GHMZBOCLSA-N 2 1 232.368 1.645 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H]([NH3+])[C@H]1C)C2 ZINC001246551722 987954370 /nfs/dbraw/zinc/95/43/70/987954370.db2.gz VCRRNGHAUIDMNO-WDBKCZKBSA-N 2 1 246.354 1.584 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]([NH3+])[C@H]1C)C2 ZINC001246551722 987954380 /nfs/dbraw/zinc/95/43/80/987954380.db2.gz VCRRNGHAUIDMNO-WDBKCZKBSA-N 2 1 246.354 1.584 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246551674 987955368 /nfs/dbraw/zinc/95/53/68/987955368.db2.gz MGGYNZWASWFAOF-JXQTWKCFSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](C2CCOCC2)CC1 ZINC001246554510 987959723 /nfs/dbraw/zinc/95/97/23/987959723.db2.gz VUPKDJUPTBHJSW-LBPRGKRZSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCCOC2)CC1 ZINC001246553848 987963149 /nfs/dbraw/zinc/96/31/49/987963149.db2.gz SRPOZHDXVBAJTG-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246555437 987966253 /nfs/dbraw/zinc/96/62/53/987966253.db2.gz XPTZBXVIQNEZDU-PIGZVRMJSA-N 3 1 235.375 1.249 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246555437 987966266 /nfs/dbraw/zinc/96/62/66/987966266.db2.gz XPTZBXVIQNEZDU-PIGZVRMJSA-N 3 1 235.375 1.249 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[C@H]1C[NH3+] ZINC001246557400 987977084 /nfs/dbraw/zinc/97/70/84/987977084.db2.gz LMCASZDJVSFKQE-NLXYCFSDSA-N 3 1 249.402 1.352 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2CCCCCC2)C[C@H]1O ZINC001246559953 987986771 /nfs/dbraw/zinc/98/67/71/987986771.db2.gz QNUKIWWTOITINQ-VXGBXAGGSA-N 2 1 212.337 1.103 20 0 BDADMP CCc1ccc(C[C@@H](C)[N@H+]2C[C@@H](N)[C@H](O)C2)cc1 ZINC001246560934 987996319 /nfs/dbraw/zinc/99/63/19/987996319.db2.gz VQIANGXMIAONTJ-KCPJHIHWSA-N 2 1 248.370 1.184 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246563130 988001035 /nfs/dbraw/zinc/00/10/35/988001035.db2.gz OTQMTZXCGWHQBH-FRRDWIJNSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1N ZINC001246563130 988001048 /nfs/dbraw/zinc/00/10/48/988001048.db2.gz OTQMTZXCGWHQBH-FRRDWIJNSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1N ZINC001246563130 988001060 /nfs/dbraw/zinc/00/10/60/988001060.db2.gz OTQMTZXCGWHQBH-FRRDWIJNSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2)CC[C@H]1C[NH3+] ZINC001246563475 988008566 /nfs/dbraw/zinc/00/85/66/988008566.db2.gz XDLFYILOEWKHAN-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCCNC2)CC[C@H]1C[NH3+] ZINC001246563475 988008580 /nfs/dbraw/zinc/00/85/80/988008580.db2.gz XDLFYILOEWKHAN-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCOCC2)CCC[C@@H]1C[NH3+] ZINC001246564887 988012819 /nfs/dbraw/zinc/01/28/19/988012819.db2.gz GQQAROKMJXOFHR-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCOCC2)CCC[C@H]1C[NH3+] ZINC001246564884 988015092 /nfs/dbraw/zinc/01/50/92/988015092.db2.gz GQQAROKMJXOFHR-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2COC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001246564499 988017227 /nfs/dbraw/zinc/01/72/27/988017227.db2.gz XHXDAEVQWMTHBR-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC001246565257 988017723 /nfs/dbraw/zinc/01/77/23/988017723.db2.gz PHURZWLGCKHRAY-WCQYABFASA-N 2 1 234.343 1.965 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH2+]1 ZINC001246565257 988017739 /nfs/dbraw/zinc/01/77/39/988017739.db2.gz PHURZWLGCKHRAY-WCQYABFASA-N 2 1 234.343 1.965 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246567164 988028262 /nfs/dbraw/zinc/02/82/62/988028262.db2.gz LMOQBGHDQZCXEN-FVCCEPFGSA-N 2 1 228.380 1.859 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCOCC2)CC1 ZINC001246576656 988084651 /nfs/dbraw/zinc/08/46/51/988084651.db2.gz MFRJSGZUIJXAIN-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246575211 988086110 /nfs/dbraw/zinc/08/61/10/988086110.db2.gz ZVKWODHSQUVTHD-RNJOBUHISA-N 2 1 244.354 1.705 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246575211 988086126 /nfs/dbraw/zinc/08/61/26/988086126.db2.gz ZVKWODHSQUVTHD-RNJOBUHISA-N 2 1 244.354 1.705 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579271 988101562 /nfs/dbraw/zinc/10/15/62/988101562.db2.gz UAQNBBQHRXTQQA-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP CCCC[C@H](CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580191 988105665 /nfs/dbraw/zinc/10/56/65/988105665.db2.gz KYKMXSYOMKJKMV-SRVKXCTJSA-N 2 1 214.353 1.207 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCO1 ZINC001246583492 988120285 /nfs/dbraw/zinc/12/02/85/988120285.db2.gz GYSZTULAABRBSH-LPWJVIDDSA-N 2 1 244.354 1.705 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCO1 ZINC001246583492 988120296 /nfs/dbraw/zinc/12/02/96/988120296.db2.gz GYSZTULAABRBSH-LPWJVIDDSA-N 2 1 244.354 1.705 20 0 BDADMP CCCC[C@@H](CCC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246584025 988122868 /nfs/dbraw/zinc/12/28/68/988122868.db2.gz KYJKZKLLFAPHQF-YNEHKIRRSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCCOC2)C1 ZINC001246583758 988126668 /nfs/dbraw/zinc/12/66/68/988126668.db2.gz KIGFZWJEYJOPOZ-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(CO)CC2)CC[NH2+]1 ZINC001246587705 988146097 /nfs/dbraw/zinc/14/60/97/988146097.db2.gz IMNLFICENMEXTP-AGIUHOORSA-N 2 1 244.354 1.313 20 0 BDADMP CCCCC[C@@H](CCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246587165 988146753 /nfs/dbraw/zinc/14/67/53/988146753.db2.gz VOZCRQFYGMHNEC-MJBXVCDLSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC(C)(C)C[C@]2(C)CO)C[NH2+]1 ZINC001246590267 988165573 /nfs/dbraw/zinc/16/55/73/988165573.db2.gz SBFRHJPSJCHVBA-MBNYWOFBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC(C)(C)C[C@]2(C)CO)C[NH2+]1 ZINC001246590267 988165586 /nfs/dbraw/zinc/16/55/86/988165586.db2.gz SBFRHJPSJCHVBA-MBNYWOFBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246590261 988170196 /nfs/dbraw/zinc/17/01/96/988170196.db2.gz RZEMEXWOQOHHFO-MROQNXINSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246590261 988170212 /nfs/dbraw/zinc/17/02/12/988170212.db2.gz RZEMEXWOQOHHFO-MROQNXINSA-N 3 1 225.380 1.186 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)N1CC(C)(C[NH3+])C1 ZINC001246592505 988180806 /nfs/dbraw/zinc/18/08/06/988180806.db2.gz CKAZQHKFSMQJCL-CYBMUJFWSA-N 2 1 241.423 1.778 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593745 988187212 /nfs/dbraw/zinc/18/72/12/988187212.db2.gz NTHQSXJJANKBBB-IGQOVBAYSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599118 988206868 /nfs/dbraw/zinc/20/68/68/988206868.db2.gz ARHCVOFCHZEXPS-HZSPNIEDSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599118 988206876 /nfs/dbraw/zinc/20/68/76/988206876.db2.gz ARHCVOFCHZEXPS-HZSPNIEDSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC([NH3+])C3)CC2)CC[NH2+]1 ZINC001246603872 988218318 /nfs/dbraw/zinc/21/83/18/988218318.db2.gz PALRBBWQXYWBPS-DGCLKSJQSA-N 3 1 237.391 1.330 20 0 BDADMP C[NH+](C)C1CCC(N2CC(C)(C[NH3+])C2)CC1 ZINC001246603517 988218496 /nfs/dbraw/zinc/21/84/96/988218496.db2.gz ZHVPWLLRNYGCIF-UHFFFAOYSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246618032 988260504 /nfs/dbraw/zinc/26/05/04/988260504.db2.gz JMELYKDBHDKVCO-XBFCOCLRSA-N 2 1 237.391 1.201 20 0 BDADMP C1C[NH2+]CC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246621616 988263127 /nfs/dbraw/zinc/26/31/27/988263127.db2.gz LWWVIDNGLMOJEF-UHFFFAOYSA-N 3 1 237.391 1.204 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)C[NH2+]1 ZINC001246630158 988303756 /nfs/dbraw/zinc/30/37/56/988303756.db2.gz HICXIBDCTQHPCA-VLEAKVRGSA-N 2 1 230.302 1.714 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246637801 988326226 /nfs/dbraw/zinc/32/62/26/988326226.db2.gz KTVRAWSLSRYGJP-UJPOAAIJSA-N 2 1 220.360 1.857 20 0 BDADMP c1ccc2c(c1)CC([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246635267 988329023 /nfs/dbraw/zinc/32/90/23/988329023.db2.gz JVKPSNLKFJTPKS-HUUCEWRRSA-N 2 1 228.339 1.590 20 0 BDADMP c1nc2c(s1)C[C@@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246638337 988336959 /nfs/dbraw/zinc/33/69/59/988336959.db2.gz LRGGYSBGTUTXLW-HOSYDEDBSA-N 2 1 249.383 1.437 20 0 BDADMP c1nc2c(s1)C[C@@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246638337 988336972 /nfs/dbraw/zinc/33/69/72/988336972.db2.gz LRGGYSBGTUTXLW-HOSYDEDBSA-N 2 1 249.383 1.437 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641525 988346632 /nfs/dbraw/zinc/34/66/32/988346632.db2.gz JAMYRKQKNUTUBY-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643116 988354529 /nfs/dbraw/zinc/35/45/29/988354529.db2.gz OBIDBUDVHOYNNP-KGLIPLIRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645517 988361058 /nfs/dbraw/zinc/36/10/58/988361058.db2.gz BYHCNMRWUGTRTL-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCCC[N@H+]2[C@H]1CCCOCC1 ZINC001246645833 988362177 /nfs/dbraw/zinc/36/21/77/988362177.db2.gz WFBPQKFILOLXSQ-UONOGXRCSA-N 2 1 238.375 1.774 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCCC[N@H+]2[C@@H]1CCCOCC1 ZINC001246645832 988367308 /nfs/dbraw/zinc/36/73/08/988367308.db2.gz WFBPQKFILOLXSQ-KGLIPLIRSA-N 2 1 238.375 1.774 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645351 988367414 /nfs/dbraw/zinc/36/74/14/988367414.db2.gz UMPMPPXRRSZKEW-XFMPKHEZSA-N 2 1 249.402 1.058 20 0 BDADMP C(C1CC1)[N@H+]1CCC2(CN(C3CC[NH2+]CC3)C2)C1 ZINC001246720286 988451046 /nfs/dbraw/zinc/45/10/46/988451046.db2.gz MCSYNAQJQJWCEN-UHFFFAOYSA-N 2 1 249.402 1.156 20 0 BDADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+](C2CC[NH2+]CC2)C1 ZINC001246808098 988490398 /nfs/dbraw/zinc/49/03/98/988490398.db2.gz BJBMMNLZRNWFCH-MNOVXSKESA-N 2 1 240.347 1.012 20 0 BDADMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246809405 988492517 /nfs/dbraw/zinc/49/25/17/988492517.db2.gz RMBTXJXQKLGGJI-MPOCRNKUSA-N 3 1 235.375 1.224 20 0 BDADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@H]3CCC[C@H]31)CCN2 ZINC001246822290 988513083 /nfs/dbraw/zinc/51/30/83/988513083.db2.gz YCTVJRIZIZXZEV-HZSPNIEDSA-N 2 1 249.402 1.345 20 0 BDADMP C[N@H+]1C[C@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001246834975 988533385 /nfs/dbraw/zinc/53/33/85/988533385.db2.gz RMBBFHRXIIPQMN-YYJFMHSASA-N 2 1 249.402 1.295 20 0 BDADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246834970 988534624 /nfs/dbraw/zinc/53/46/24/988534624.db2.gz RMBBFHRXIIPQMN-WQKZHXONSA-N 2 1 249.402 1.295 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246838395 988537907 /nfs/dbraw/zinc/53/79/07/988537907.db2.gz HGGLFAHUGXJBTA-WOPDTQHZSA-N 2 1 240.347 1.154 20 0 BDADMP COC(=O)CC[C@@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)C1 ZINC001246836301 988541182 /nfs/dbraw/zinc/54/11/82/988541182.db2.gz WOMNCRWMLSHANH-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CC[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)C1 ZINC001246836301 988541184 /nfs/dbraw/zinc/54/11/84/988541184.db2.gz WOMNCRWMLSHANH-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP C[N@@H+](CC1CCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246844166 988559823 /nfs/dbraw/zinc/55/98/23/988559823.db2.gz XULJNUIXRAUDJY-CYBMUJFWSA-N 2 1 237.391 1.202 20 0 BDADMP CC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246850131 988562349 /nfs/dbraw/zinc/56/23/49/988562349.db2.gz HDECSRSKWOVIKJ-NSHDSACASA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246850703 988565334 /nfs/dbraw/zinc/56/53/34/988565334.db2.gz DCCKKQVYEUCXND-NQBHXWOUSA-N 2 1 220.316 1.634 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246850703 988565340 /nfs/dbraw/zinc/56/53/40/988565340.db2.gz DCCKKQVYEUCXND-NQBHXWOUSA-N 2 1 220.316 1.634 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246854950 988578651 /nfs/dbraw/zinc/57/86/51/988578651.db2.gz RNDDUGTVWUFNSA-MRVWCRGKSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246854950 988578662 /nfs/dbraw/zinc/57/86/62/988578662.db2.gz RNDDUGTVWUFNSA-MRVWCRGKSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246866981 988620407 /nfs/dbraw/zinc/62/04/07/988620407.db2.gz LPYGZTLPUXUOJJ-AAEUAGOBSA-N 3 1 248.374 1.663 20 0 BDADMP C(OC[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1)C1CC1 ZINC001246867083 988622248 /nfs/dbraw/zinc/62/22/48/988622248.db2.gz WMEHXAHONMXLAI-ZDUSSCGKSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@H]1C ZINC001246870894 988639106 /nfs/dbraw/zinc/63/91/06/988639106.db2.gz PSCDTHAYYMLWDX-BNDIWNMDSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@H]1C ZINC001246870894 988639118 /nfs/dbraw/zinc/63/91/18/988639118.db2.gz PSCDTHAYYMLWDX-BNDIWNMDSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCc3cc(N)ccc3C2)CC[NH2+]1 ZINC001246884379 988650840 /nfs/dbraw/zinc/65/08/40/988650840.db2.gz SRXDHCWAOWKCSZ-ABAIWWIYSA-N 2 1 245.370 1.767 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[NH2+]1 ZINC001246890883 988659681 /nfs/dbraw/zinc/65/96/81/988659681.db2.gz AOGPSEAJOWDDJY-AAVRWANBSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[NH2+]1 ZINC001246890883 988659690 /nfs/dbraw/zinc/65/96/90/988659690.db2.gz AOGPSEAJOWDDJY-AAVRWANBSA-N 3 1 237.391 1.010 20 0 BDADMP CC(=O)[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246892353 988665380 /nfs/dbraw/zinc/66/53/80/988665380.db2.gz BMNZQZINDFKMEW-ACJTYDJDSA-N 2 1 222.332 1.180 20 0 BDADMP NC[C@H]1CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246906660 988681521 /nfs/dbraw/zinc/68/15/21/988681521.db2.gz FUZJHVXLQRYKEV-ROKHWSDSSA-N 2 1 237.391 1.332 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246906660 988681543 /nfs/dbraw/zinc/68/15/43/988681543.db2.gz FUZJHVXLQRYKEV-ROKHWSDSSA-N 3 1 237.391 1.332 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246906660 988681553 /nfs/dbraw/zinc/68/15/53/988681553.db2.gz FUZJHVXLQRYKEV-ROKHWSDSSA-N 3 1 237.391 1.332 20 0 BDADMP CCC[N@@H+](CC(C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246910269 988688393 /nfs/dbraw/zinc/68/83/93/988688393.db2.gz KJXIWGGCIJKXAC-CYBMUJFWSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246917560 988712881 /nfs/dbraw/zinc/71/28/81/988712881.db2.gz KCHVGHPJXLJOJN-ABXWRUBCSA-N 3 1 239.407 1.589 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246917564 988716242 /nfs/dbraw/zinc/71/62/42/988716242.db2.gz KCHVGHPJXLJOJN-GFJIZPEISA-N 3 1 239.407 1.589 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]43)C[C@@H]21 ZINC001246918965 988724245 /nfs/dbraw/zinc/72/42/45/988724245.db2.gz LNBCQEQPNOROLN-PZWNZHSQSA-N 2 1 206.333 1.325 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]43)C[C@@H]21 ZINC001246918965 988724268 /nfs/dbraw/zinc/72/42/68/988724268.db2.gz LNBCQEQPNOROLN-PZWNZHSQSA-N 2 1 206.333 1.325 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@H+]1C[C@@H]3CC[C@H]1CN3)C2 ZINC001246946085 988780948 /nfs/dbraw/zinc/78/09/48/988780948.db2.gz ZUEFBUOHPZSCMD-LJISPDSOSA-N 2 1 249.402 1.345 20 0 BDADMP C1C[C@]2(CCOC2)[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246945789 988781110 /nfs/dbraw/zinc/78/11/10/988781110.db2.gz XZINAGOVEXVYHD-ZGVCCVRISA-N 2 1 222.332 1.134 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH2+]1 ZINC001246944560 988782492 /nfs/dbraw/zinc/78/24/92/988782492.db2.gz HVQWBOREVSHHAH-JHJVBQTASA-N 2 1 249.362 1.056 20 0 BDADMP C[C@@H]1CN(C2CCC3(C[NH2+]C3)CC2)C[C@@H](C)[NH2+]1 ZINC001246970831 988798672 /nfs/dbraw/zinc/79/86/72/988798672.db2.gz WQZORWUKEDNZGD-VXGBXAGGSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)[N@@H+](C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001246970937 988800683 /nfs/dbraw/zinc/80/06/83/988800683.db2.gz CUKGGSYCUBYSTP-UHFFFAOYSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)N(C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001246970937 988800689 /nfs/dbraw/zinc/80/06/89/988800689.db2.gz CUKGGSYCUBYSTP-UHFFFAOYSA-N 2 1 239.407 1.543 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246973506 988805751 /nfs/dbraw/zinc/80/57/51/988805751.db2.gz KFLWTMGBCOXTJJ-WUHRBBMRSA-N 2 1 225.380 1.281 20 0 BDADMP C[C@H](N)C[N@@H+](C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246981868 988809086 /nfs/dbraw/zinc/80/90/86/988809086.db2.gz SLGXQYXLXASCPL-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246981868 988809092 /nfs/dbraw/zinc/80/90/92/988809092.db2.gz SLGXQYXLXASCPL-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246980687 988810353 /nfs/dbraw/zinc/81/03/53/988810353.db2.gz RQUDCGUBTPFJRG-MQYQWHSLSA-N 2 1 237.391 1.010 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246980687 988810356 /nfs/dbraw/zinc/81/03/56/988810356.db2.gz RQUDCGUBTPFJRG-MQYQWHSLSA-N 2 1 237.391 1.010 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246980687 988810361 /nfs/dbraw/zinc/81/03/61/988810361.db2.gz RQUDCGUBTPFJRG-MQYQWHSLSA-N 3 1 237.391 1.010 20 0 BDADMP CC[N@H+]1C[C@H]2CN([C@H]3CC[NH2+][C@H](C)C3)C[C@H]2C1 ZINC001246980687 988810364 /nfs/dbraw/zinc/81/03/64/988810364.db2.gz RQUDCGUBTPFJRG-MQYQWHSLSA-N 2 1 237.391 1.010 20 0 BDADMP CC[N@@H+]1C[C@H]2CN([C@H]3CC[NH2+][C@H](C)C3)C[C@H]2C1 ZINC001246980687 988810368 /nfs/dbraw/zinc/81/03/68/988810368.db2.gz RQUDCGUBTPFJRG-MQYQWHSLSA-N 2 1 237.391 1.010 20 0 BDADMP C1=C2NCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)[C@H]2CCC1 ZINC001246991462 988823859 /nfs/dbraw/zinc/82/38/59/988823859.db2.gz BAVRKVQZCGBKNJ-JSGCOSHPSA-N 2 1 247.386 1.470 20 0 BDADMP CC1(C)CCC[C@@H]([N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001246992986 988825706 /nfs/dbraw/zinc/82/57/06/988825706.db2.gz YCONMVLGEDVFSJ-VXGBXAGGSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CCC[C@@H]([N@H+]2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001246992986 988825716 /nfs/dbraw/zinc/82/57/16/988825716.db2.gz YCONMVLGEDVFSJ-VXGBXAGGSA-N 2 1 238.375 1.615 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCNC3=CCCC[C@H]32)CC1 ZINC001246993865 988829828 /nfs/dbraw/zinc/82/98/28/988829828.db2.gz IVIHMAYPWSZHFC-SSDMNJCBSA-N 2 1 249.402 1.859 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CC[NH2+]1 ZINC001247000848 988832561 /nfs/dbraw/zinc/83/25/61/988832561.db2.gz HCJYAXDEXOKGLS-YVECIDJPSA-N 2 1 236.359 1.428 20 0 BDADMP COC(=O)[C@]1(C)CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000383 988833278 /nfs/dbraw/zinc/83/32/78/988833278.db2.gz ICXCBLVSZAKXHT-NTZNESFSSA-N 2 1 240.347 1.012 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+]([C@@H]3CCCSC3)C[C@H]2C1 ZINC001247012503 988838765 /nfs/dbraw/zinc/83/87/65/988838765.db2.gz DVHPTRSUTRKMCP-JHJVBQTASA-N 2 1 240.416 1.956 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@@H]3CCCSC3)C[C@H]2C1 ZINC001247012503 988838770 /nfs/dbraw/zinc/83/87/70/988838770.db2.gz DVHPTRSUTRKMCP-JHJVBQTASA-N 2 1 240.416 1.956 20 0 BDADMP CCC[C@@H](C[NH+]1CCC([NH+](C)C)CC1)OC ZINC001119237840 988857522 /nfs/dbraw/zinc/85/75/22/988857522.db2.gz NNZNKXJBADQKQX-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP Cc1ccccc1-c1noc([C@H]([NH3+])CCC[NH3+])n1 ZINC001247510113 988907660 /nfs/dbraw/zinc/90/76/60/988907660.db2.gz YFVUZDVLZNXNCR-LLVKDONJSA-N 2 1 246.314 1.784 20 0 BDADMP [NH3+]CCC[C@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC001247509001 988907969 /nfs/dbraw/zinc/90/79/69/988907969.db2.gz UBSJVFPLKKELPS-JTQLQIEISA-N 2 1 232.287 1.475 20 0 BDADMP Cc1noc(C)c1CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC001119544076 989145165 /nfs/dbraw/zinc/14/51/65/989145165.db2.gz CMLWJSDPPTUXEZ-SECBINFHSA-N 2 1 247.289 1.406 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1sccc1OC ZINC001325627819 989221701 /nfs/dbraw/zinc/22/17/01/989221701.db2.gz WOLPDHULWICOBV-VIFPVBQESA-N 2 1 228.361 1.844 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC001325720194 989237927 /nfs/dbraw/zinc/23/79/27/989237927.db2.gz DRYGTFGOISBWDF-CMPLNLGQSA-N 2 1 236.363 1.385 20 0 BDADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC001325744298 989247405 /nfs/dbraw/zinc/24/74/05/989247405.db2.gz UGVPDPYYQKUMKK-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC001326472611 989559702 /nfs/dbraw/zinc/55/97/02/989559702.db2.gz DJAKZHYSHOUCOD-IJLUTSLNSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1 ZINC001120779725 989878795 /nfs/dbraw/zinc/87/87/95/989878795.db2.gz NMMHRSRSMYUKRD-JSGCOSHPSA-N 2 1 247.342 1.381 20 0 BDADMP CCC[N@H+](CC)C[C@H](C)Nc1cc[nH+]c(N)n1 ZINC001120849566 989922040 /nfs/dbraw/zinc/92/20/40/989922040.db2.gz VEJPBWZXAYRGRR-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc[nH+]c(N)n1 ZINC001120849566 989922047 /nfs/dbraw/zinc/92/20/47/989922047.db2.gz VEJPBWZXAYRGRR-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP C[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001122289845 990323374 /nfs/dbraw/zinc/32/33/74/990323374.db2.gz XGGANBGCHMLBLH-JTQLQIEISA-N 2 1 248.330 1.358 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001258102804 991018983 /nfs/dbraw/zinc/01/89/83/991018983.db2.gz IRDPJDVTIZBJHJ-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001258102804 991018991 /nfs/dbraw/zinc/01/89/91/991018991.db2.gz IRDPJDVTIZBJHJ-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001308553893 991036152 /nfs/dbraw/zinc/03/61/52/991036152.db2.gz NFQCTMJCBBBDIA-JHJVBQTASA-N 2 1 248.374 1.158 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001308553893 991036160 /nfs/dbraw/zinc/03/61/60/991036160.db2.gz NFQCTMJCBBBDIA-JHJVBQTASA-N 2 1 248.374 1.158 20 0 BDADMP Cc1c[nH]c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)n1 ZINC001138935980 991105414 /nfs/dbraw/zinc/10/54/14/991105414.db2.gz GCQDLWBUQNSWAQ-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)C(F)F ZINC001308791302 991119495 /nfs/dbraw/zinc/11/94/95/991119495.db2.gz HKRBYDBWXQGCTB-VHSXEESVSA-N 2 1 236.306 1.075 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258351242 991286462 /nfs/dbraw/zinc/28/64/62/991286462.db2.gz KTWOSAJZIWOQAY-RYUDHWBXSA-N 2 1 242.363 1.402 20 0 BDADMP CCCCC(CCCC)[N@H+](CC[NH3+])CCO ZINC001258379176 991335738 /nfs/dbraw/zinc/33/57/38/991335738.db2.gz ZTIYRBIUWRICLF-UHFFFAOYSA-N 2 1 230.396 1.988 20 0 BDADMP CCCCC(CCCC)[N@@H+](CC[NH3+])CCO ZINC001258379176 991335748 /nfs/dbraw/zinc/33/57/48/991335748.db2.gz ZTIYRBIUWRICLF-UHFFFAOYSA-N 2 1 230.396 1.988 20 0 BDADMP CCC1(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)COC1 ZINC001202964013 991341673 /nfs/dbraw/zinc/34/16/73/991341673.db2.gz GQCIYKCOJWXWHS-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP CCC1(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)COC1 ZINC001202964013 991341679 /nfs/dbraw/zinc/34/16/79/991341679.db2.gz GQCIYKCOJWXWHS-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP CCC1(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)COC1 ZINC001202964013 991341685 /nfs/dbraw/zinc/34/16/85/991341685.db2.gz GQCIYKCOJWXWHS-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001560055495 991365857 /nfs/dbraw/zinc/36/58/57/991365857.db2.gz BVHLQKKKNZAMSU-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001560055495 991365866 /nfs/dbraw/zinc/36/58/66/991365866.db2.gz BVHLQKKKNZAMSU-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001560055495 991365875 /nfs/dbraw/zinc/36/58/75/991365875.db2.gz BVHLQKKKNZAMSU-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)O1 ZINC001560186515 991404409 /nfs/dbraw/zinc/40/44/09/991404409.db2.gz ILOLHMPFQCTRCF-SYQHCUMBSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)O1 ZINC001560186515 991404411 /nfs/dbraw/zinc/40/44/11/991404411.db2.gz ILOLHMPFQCTRCF-SYQHCUMBSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)O1 ZINC001560186515 991404417 /nfs/dbraw/zinc/40/44/17/991404417.db2.gz ILOLHMPFQCTRCF-SYQHCUMBSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258599550 991502598 /nfs/dbraw/zinc/50/25/98/991502598.db2.gz DJQMROGHNTYZPH-GFCCVEGCSA-N 2 1 228.380 1.469 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001560623078 991523402 /nfs/dbraw/zinc/52/34/02/991523402.db2.gz PUTTVOZIZMVYFN-FPMFFAJLSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001560623078 991523411 /nfs/dbraw/zinc/52/34/11/991523411.db2.gz PUTTVOZIZMVYFN-FPMFFAJLSA-N 2 1 248.374 1.158 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001258611164 991533817 /nfs/dbraw/zinc/53/38/17/991533817.db2.gz FYMRKYYJFLMOEI-UKRRQHHQSA-N 2 1 247.386 1.944 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C1 ZINC001560733289 991578558 /nfs/dbraw/zinc/57/85/58/991578558.db2.gz MSGUZYULKAUSMS-XDQVBPFNSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C1 ZINC001560733289 991578568 /nfs/dbraw/zinc/57/85/68/991578568.db2.gz MSGUZYULKAUSMS-XDQVBPFNSA-N 2 1 238.375 1.221 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2n[nH]cc2c1 ZINC001140382876 991625583 /nfs/dbraw/zinc/62/55/83/991625583.db2.gz TYZNUJNTLBLQMZ-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2n[nH]cc2c1 ZINC001140382876 991625585 /nfs/dbraw/zinc/62/55/85/991625585.db2.gz TYZNUJNTLBLQMZ-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccnc2N)C1 ZINC001560933460 991659522 /nfs/dbraw/zinc/65/95/22/991659522.db2.gz PEBHBOFIVVFAKW-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccnc2N)C1 ZINC001560933460 991659530 /nfs/dbraw/zinc/65/95/30/991659530.db2.gz PEBHBOFIVVFAKW-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC001561021935 991691323 /nfs/dbraw/zinc/69/13/23/991691323.db2.gz BWHOJGQMMOXZBO-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[NH+]1CCC([N@@H+](CC)CCOC)CC1 ZINC001258771512 991735535 /nfs/dbraw/zinc/73/55/35/991735535.db2.gz GWBSFEGMYFYDKE-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCCO[C@H](C)C2)CC1 ZINC001258771678 991736325 /nfs/dbraw/zinc/73/63/25/991736325.db2.gz OEIGILDVRZNJNL-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([NH+]2CC3(C2)CCOC3)CC1 ZINC001258771627 991738484 /nfs/dbraw/zinc/73/84/84/991738484.db2.gz MDOSMHFNMAJKGT-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC001258771628 991739982 /nfs/dbraw/zinc/73/99/82/991739982.db2.gz MEEDPGJKGGRRKE-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)on1 ZINC001474735785 991789054 /nfs/dbraw/zinc/78/90/54/991789054.db2.gz UWXULERXJITSMQ-GFCCVEGCSA-N 2 1 235.331 1.414 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@H+]2CCO[C@H](CN(C)C)C2)C1 ZINC001258820168 991841067 /nfs/dbraw/zinc/84/10/67/991841067.db2.gz VLZJVBJMPLXVAD-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CCC[C@@H](N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC001258820168 991841068 /nfs/dbraw/zinc/84/10/68/991841068.db2.gz VLZJVBJMPLXVAD-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](O)C1 ZINC001258907840 991897766 /nfs/dbraw/zinc/89/77/66/991897766.db2.gz NIGDOLYNJJUFIC-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1CO ZINC001258910755 991898977 /nfs/dbraw/zinc/89/89/77/991898977.db2.gz UPKJGSPADMMTFQ-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](O)C[C@H]1C ZINC001258908642 991900304 /nfs/dbraw/zinc/90/03/04/991900304.db2.gz ZJDZUNCLSQKLAG-MGPQQGTHSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001258909368 991901344 /nfs/dbraw/zinc/90/13/44/991901344.db2.gz DIJXSAWTJPOAJJ-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc[nH]c(=O)c1 ZINC001321134112 992464401 /nfs/dbraw/zinc/46/44/01/992464401.db2.gz ZVXSNWBGFQCUIE-JTQLQIEISA-N 2 1 246.314 1.414 20 0 BDADMP CCCC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001570734463 992516550 /nfs/dbraw/zinc/51/65/50/992516550.db2.gz UZNPFAORGQFYQU-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261849760 992544243 /nfs/dbraw/zinc/54/42/43/992544243.db2.gz OHBGPTVDLQUDCN-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]C1)[C@]12C[C@H]1COC21CCC1 ZINC001574801578 992914380 /nfs/dbraw/zinc/91/43/80/992914380.db2.gz ROAFAUVKQKLLEZ-YNEHKIRRSA-N 2 1 236.359 1.287 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001262576207 992929665 /nfs/dbraw/zinc/92/96/65/992929665.db2.gz JVJCZMPYKZCVCQ-HBNTYKKESA-N 2 1 214.353 1.076 20 0 BDADMP C/C(=C\c1ccccc1)C[N@@H+](C)CCOCC[NH3+] ZINC001574980973 992958138 /nfs/dbraw/zinc/95/81/38/992958138.db2.gz WQKMALDCSDSYOM-WYMLVPIESA-N 2 1 248.370 1.997 20 0 BDADMP CC(C)(C[NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001575315338 993009825 /nfs/dbraw/zinc/00/98/25/993009825.db2.gz NUDJJSSQBVFFEU-WCQYABFASA-N 2 1 226.364 1.066 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C1CCS(=O)CC1 ZINC001575422208 993042490 /nfs/dbraw/zinc/04/24/90/993042490.db2.gz FSOLSQJKSRTRPN-OPGSHWCFSA-N 2 1 246.420 1.060 20 0 BDADMP CC(C)[C@]1(CO)CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001575495906 993057438 /nfs/dbraw/zinc/05/74/38/993057438.db2.gz GUBOSWHMSFHKQC-HZSPNIEDSA-N 2 1 240.391 1.182 20 0 BDADMP CC(C)C[C@H](CO)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001575546134 993069888 /nfs/dbraw/zinc/06/98/88/993069888.db2.gz SXNXCXWMHICNKB-FRRDWIJNSA-N 2 1 228.380 1.181 20 0 BDADMP CC(C)CC[C@@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001575555842 993071249 /nfs/dbraw/zinc/07/12/49/993071249.db2.gz UZWNWTAJQDLAEY-CPCZMJQVSA-N 2 1 226.364 1.125 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001575555107 993072189 /nfs/dbraw/zinc/07/21/89/993072189.db2.gz PSPDFPXTYFOTLF-JHJVBQTASA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)C[C@H](CO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575640302 993088784 /nfs/dbraw/zinc/08/87/84/993088784.db2.gz PMYIAYGUVHTUBZ-DTWKUNHWSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)n1cncc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001575904712 993120868 /nfs/dbraw/zinc/12/08/68/993120868.db2.gz XNDYHQAMJGVGRV-AOOOYVTPSA-N 2 1 208.309 1.043 20 0 BDADMP C[C@H](C[C@H]1CCOC1)[NH2+]C(C)(C)C[NH3+] ZINC001575941049 993132898 /nfs/dbraw/zinc/13/28/98/993132898.db2.gz HXOGJCCWJHKTDM-NXEZZACHSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@H](CCCO)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575954193 993136587 /nfs/dbraw/zinc/13/65/87/993136587.db2.gz QXYVSHPBYMMDIK-RKDXNWHRSA-N 2 1 242.285 1.264 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC001575961248 993141538 /nfs/dbraw/zinc/14/15/38/993141538.db2.gz CRHFXJDIEHNSOD-KXUCPTDWSA-N 2 1 208.309 1.216 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001575967959 993144273 /nfs/dbraw/zinc/14/42/73/993144273.db2.gz QTRNYSNPKRBKBB-QWRGUYRKSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Cn1cccn1 ZINC001576033052 993161795 /nfs/dbraw/zinc/16/17/95/993161795.db2.gz LHRVHRRKVMSMHY-UWVGGRQHSA-N 2 1 246.305 1.091 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCCn1cccn1 ZINC001576150264 993192906 /nfs/dbraw/zinc/19/29/06/993192906.db2.gz WTCOQQUAFPWRJE-GFCCVEGCSA-N 2 1 224.352 1.332 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001576157609 993197930 /nfs/dbraw/zinc/19/79/30/993197930.db2.gz SUWXATIFLWEZNG-VHDGCEQUSA-N 2 1 246.354 1.234 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001576157609 993197934 /nfs/dbraw/zinc/19/79/34/993197934.db2.gz SUWXATIFLWEZNG-VHDGCEQUSA-N 2 1 246.354 1.234 20 0 BDADMP C[C@@H]([NH2+]C(C)(C)C[NH3+])[C@H]1CCCOC1 ZINC001576234242 993221405 /nfs/dbraw/zinc/22/14/05/993221405.db2.gz URQRQSQYGLDURL-ZJUUUORDSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@@](O)(C[NH3+])C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576260350 993236790 /nfs/dbraw/zinc/23/67/90/993236790.db2.gz UUILHKGNCJJZCU-MEBFFEOJSA-N 2 1 238.375 1.064 20 0 BDADMP C[C@H](O)C(C)(C)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001576267210 993240687 /nfs/dbraw/zinc/24/06/87/993240687.db2.gz WKDQTQXAVJPYFF-JGVFFNPUSA-N 2 1 242.285 1.263 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576269058 993245411 /nfs/dbraw/zinc/24/54/11/993245411.db2.gz LCHHLGFCIIPNAK-WUHRBBMRSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@H](O)C[N@H+](CC(F)F)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576273469 993253820 /nfs/dbraw/zinc/25/38/20/993253820.db2.gz WEHBYNLQYXXWRU-KXUCPTDWSA-N 2 1 236.306 1.062 20 0 BDADMP C[C@@H](O)C[N@@H+](CC(F)F)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576273469 993253828 /nfs/dbraw/zinc/25/38/28/993253828.db2.gz WEHBYNLQYXXWRU-KXUCPTDWSA-N 2 1 236.306 1.062 20 0 BDADMP C[C@@H](c1csnn1)[N@H+](C)CC1CC[NH2+]CC1 ZINC001576315707 993258112 /nfs/dbraw/zinc/25/81/12/993258112.db2.gz KUVKUMGFYZIYGP-VIFPVBQESA-N 2 1 240.376 1.531 20 0 BDADMP C[C@@H](c1csnn1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576315707 993258125 /nfs/dbraw/zinc/25/81/25/993258125.db2.gz KUVKUMGFYZIYGP-VIFPVBQESA-N 2 1 240.376 1.531 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000379936047 993296232 /nfs/dbraw/zinc/29/62/32/993296232.db2.gz XIHSAGLUKUFPAT-NWDGAFQWSA-N 2 1 228.405 1.943 20 0 BDADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CCCOC2)[NH2+]C1 ZINC001576421192 993299828 /nfs/dbraw/zinc/29/98/28/993299828.db2.gz IZEWDRZSAQANRG-RYUDHWBXSA-N 2 1 226.364 1.533 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccno2)C1 ZINC001576481272 993320336 /nfs/dbraw/zinc/32/03/36/993320336.db2.gz WDMXPXFHPWMALB-JTQLQIEISA-N 2 1 223.320 1.542 20 0 BDADMP C[C@]1(C[NH2+]CCC2CCCCC2)C[NH2+]CCO1 ZINC001576525583 993329886 /nfs/dbraw/zinc/32/98/86/993329886.db2.gz GXRWZODLUZBMFL-AWEZNQCLSA-N 2 1 240.391 1.925 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001576571906 993347882 /nfs/dbraw/zinc/34/78/82/993347882.db2.gz HDMIDCMIDHVLJW-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001576574816 993351513 /nfs/dbraw/zinc/35/15/13/993351513.db2.gz YUIDATYYBBHZBL-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](CC2=NOCC2)C[C@H]1C[NH3+] ZINC001576595468 993360395 /nfs/dbraw/zinc/36/03/95/993360395.db2.gz IAKBJMJXIOGXAO-GMTAPVOTSA-N 2 1 225.336 1.068 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2=NOCC2)C[C@H]1C[NH3+] ZINC001576595468 993360401 /nfs/dbraw/zinc/36/04/01/993360401.db2.gz IAKBJMJXIOGXAO-GMTAPVOTSA-N 2 1 225.336 1.068 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)C[NH2+]1 ZINC001576667630 993378450 /nfs/dbraw/zinc/37/84/50/993378450.db2.gz VHRAZXCGHQDILE-KSSYENDESA-N 2 1 208.349 1.905 20 0 BDADMP C[C@@H]1CCC(=O)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC001576635538 993379007 /nfs/dbraw/zinc/37/90/07/993379007.db2.gz BCUVJFYFYOADDI-GHMZBOCLSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1CCC(=O)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC001576635538 993379014 /nfs/dbraw/zinc/37/90/14/993379014.db2.gz BCUVJFYFYOADDI-GHMZBOCLSA-N 2 1 210.321 1.039 20 0 BDADMP CCc1nc(N2CCC[C@@H]([NH3+])[C@@H]2C)cc(C)[nH+]1 ZINC000381452508 993397815 /nfs/dbraw/zinc/39/78/15/993397815.db2.gz HGDBCLMNKORAJT-WDEREUQCSA-N 2 1 234.347 1.663 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1CO ZINC001576728988 993405817 /nfs/dbraw/zinc/40/58/17/993405817.db2.gz BKTZFCILYQWLCP-MCIONIFRSA-N 2 1 240.391 1.326 20 0 BDADMP C[C@H]1CC[N@H+](CC(C)(C)C[NH3+])C[C@H]1F ZINC001576729762 993408777 /nfs/dbraw/zinc/40/87/77/993408777.db2.gz XYPMUVGIWZHSMZ-VHSXEESVSA-N 2 1 202.317 1.651 20 0 BDADMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH3+])C[C@H]1F ZINC001576729762 993408779 /nfs/dbraw/zinc/40/87/79/993408779.db2.gz XYPMUVGIWZHSMZ-VHSXEESVSA-N 2 1 202.317 1.651 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC001576750093 993413893 /nfs/dbraw/zinc/41/38/93/993413893.db2.gz VGOAHIBOAQYHEQ-YVECIDJPSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C[C@@H]1CCC[NH2+]C1 ZINC001576806095 993427488 /nfs/dbraw/zinc/42/74/88/993427488.db2.gz BGTBJKWNSHSIJM-YNEHKIRRSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC001576809491 993430934 /nfs/dbraw/zinc/43/09/34/993430934.db2.gz ZYOZBCCBJUEEOG-AAEUAGOBSA-N 2 1 248.374 1.317 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC001576809491 993430937 /nfs/dbraw/zinc/43/09/37/993430937.db2.gz ZYOZBCCBJUEEOG-AAEUAGOBSA-N 2 1 248.374 1.317 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC001576860783 993438416 /nfs/dbraw/zinc/43/84/16/993438416.db2.gz LTTOOGMZZDEVGD-UTLUCORTSA-N 2 1 214.378 1.326 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001576961398 993470408 /nfs/dbraw/zinc/47/04/08/993470408.db2.gz UQGNWKDOWVKMJU-GFCCVEGCSA-N 2 1 226.364 1.223 20 0 BDADMP CC[C@@H](C)[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576963348 993471327 /nfs/dbraw/zinc/47/13/27/993471327.db2.gz YDMFMXHENHKABQ-XQHKEYJVSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H](C)[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576963348 993471329 /nfs/dbraw/zinc/47/13/29/993471329.db2.gz YDMFMXHENHKABQ-XQHKEYJVSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H](C)C[C@@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576971201 993475772 /nfs/dbraw/zinc/47/57/72/993475772.db2.gz OEXGFSMGWBVTRC-IGJPJIBNSA-N 2 1 226.364 1.125 20 0 BDADMP CCC(CC)(CO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577060591 993492568 /nfs/dbraw/zinc/49/25/68/993492568.db2.gz UBYPJIQIZZRXBW-MRVPVSSYSA-N 2 1 242.285 1.407 20 0 BDADMP CCC(CC)CCC[N@@H+](C)C[C@@](C)(O)C[NH3+] ZINC001577069840 993492861 /nfs/dbraw/zinc/49/28/61/993492861.db2.gz VUWVMXUKYLXBPJ-ZDUSSCGKSA-N 2 1 230.396 1.844 20 0 BDADMP CCC(CC)[N@@H+](CC)C[C@H](O)CC[NH3+] ZINC001577069702 993493542 /nfs/dbraw/zinc/49/35/42/993493542.db2.gz RRKWGMYELPBLEZ-LLVKDONJSA-N 2 1 202.342 1.207 20 0 BDADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001577246466 993554946 /nfs/dbraw/zinc/55/49/46/993554946.db2.gz AEGNFKICNSHVGR-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)[C@@H]1C ZINC001577263655 993568307 /nfs/dbraw/zinc/56/83/07/993568307.db2.gz UHOPAEKCMRLELB-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]CC[C@@]2(C)O)[C@@H]1C ZINC001577262965 993568706 /nfs/dbraw/zinc/56/87/06/993568706.db2.gz NHFJWVRDXVHQLP-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1CC[N@H+]([C@@H]2C[NH2+]CC[C@@]2(C)O)[C@@H]1C ZINC001577262965 993568719 /nfs/dbraw/zinc/56/87/19/993568719.db2.gz NHFJWVRDXVHQLP-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP CCC[C@H]1C[NH2+]CCN1C[C@H]1CCC[N@H+]1C ZINC001577385258 993632097 /nfs/dbraw/zinc/63/20/97/993632097.db2.gz IAEVZKLQOWCBDZ-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CCC[C@]1(COC)CCC[N@H+]1CCC[NH2+]C ZINC001577374599 993634451 /nfs/dbraw/zinc/63/44/51/993634451.db2.gz ANDQLUIHNQKNOE-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001577410525 993649823 /nfs/dbraw/zinc/64/98/23/993649823.db2.gz MELMBJAKKOUUAT-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001577410524 993651023 /nfs/dbraw/zinc/65/10/23/993651023.db2.gz MELMBJAKKOUUAT-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC001577519178 993674670 /nfs/dbraw/zinc/67/46/70/993674670.db2.gz HXQHNMMSVDNHFJ-BETUJISGSA-N 2 1 227.396 1.387 20 0 BDADMP CCC[N@H+](CCCN(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC001577519178 993674676 /nfs/dbraw/zinc/67/46/76/993674676.db2.gz HXQHNMMSVDNHFJ-BETUJISGSA-N 2 1 227.396 1.387 20 0 BDADMP CCC[N@@H+](CCCN(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC001577519178 993674680 /nfs/dbraw/zinc/67/46/80/993674680.db2.gz HXQHNMMSVDNHFJ-BETUJISGSA-N 2 1 227.396 1.387 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNCC1(C[NH3+])CCC1 ZINC001577535666 993680959 /nfs/dbraw/zinc/68/09/59/993680959.db2.gz FTAXRGZJQPAHCF-ZDUSSCGKSA-N 2 1 239.407 1.579 20 0 BDADMP CCC[N@H+]1CC[C@H](NCC(C)(C)C[NH3+])C1 ZINC001577533759 993681922 /nfs/dbraw/zinc/68/19/22/993681922.db2.gz JOEAIRCYRQSSGF-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC001577622349 993697759 /nfs/dbraw/zinc/69/77/59/993697759.db2.gz LUXBYSQOZKEVBO-GFCCVEGCSA-N 2 1 236.363 1.382 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC001577622349 993697763 /nfs/dbraw/zinc/69/77/63/993697763.db2.gz LUXBYSQOZKEVBO-GFCCVEGCSA-N 2 1 236.363 1.382 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC001577655175 993710016 /nfs/dbraw/zinc/71/00/16/993710016.db2.gz UPHCPCDUUOBWAO-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2CCC[NH+](C)CC2)C1 ZINC000389556273 993746791 /nfs/dbraw/zinc/74/67/91/993746791.db2.gz RQDSKVAODQWHBR-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+]1CC[C@@H](N[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000389556273 993746809 /nfs/dbraw/zinc/74/68/09/993746809.db2.gz RQDSKVAODQWHBR-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC000389556273 993746815 /nfs/dbraw/zinc/74/68/15/993746815.db2.gz RQDSKVAODQWHBR-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000389556273 993746822 /nfs/dbraw/zinc/74/68/22/993746822.db2.gz RQDSKVAODQWHBR-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](C2CCSCC2)C1 ZINC000389752616 993763612 /nfs/dbraw/zinc/76/36/12/993763612.db2.gz ZKOPMGLBMGTVFG-LLVKDONJSA-N 2 1 228.405 1.943 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700785188 993850707 /nfs/dbraw/zinc/85/07/07/993850707.db2.gz CNPYVRJUUMGGJZ-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CC[NH2+]1 ZINC000700795150 993851020 /nfs/dbraw/zinc/85/10/20/993851020.db2.gz XQAOFESDTJJBEX-JOYOIKCWSA-N 2 1 223.295 1.451 20 0 BDADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)n(C)n1 ZINC000392772484 993881466 /nfs/dbraw/zinc/88/14/66/993881466.db2.gz SQYJKWGDOUOYAG-UHFFFAOYSA-N 2 1 234.347 1.080 20 0 BDADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C(C)C)[NH+](C)C ZINC001282462266 994240330 /nfs/dbraw/zinc/24/03/30/994240330.db2.gz TWHRGGUKBUPQQD-NEPJUHHUSA-N 2 1 243.395 1.172 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001334337457 994586335 /nfs/dbraw/zinc/58/63/35/994586335.db2.gz JVZDTKYTFWCROP-QWHCGFSZSA-N 3 1 239.407 1.435 20 0 BDADMP C[N@H+]1CCCC[C@@H](CNc2nccnc2C[NH3+])C1 ZINC001337238265 995154736 /nfs/dbraw/zinc/15/47/36/995154736.db2.gz WGUMWCMPHVELFK-NSHDSACASA-N 2 1 249.362 1.079 20 0 BDADMP Cc1cc(N)nc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)[nH+]1 ZINC001337888841 995221468 /nfs/dbraw/zinc/22/14/68/995221468.db2.gz UHKVKFXDTOIGKF-KWQFWETISA-N 2 1 247.346 1.262 20 0 BDADMP Cc1cc(N)nc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)[nH+]1 ZINC001337888841 995221478 /nfs/dbraw/zinc/22/14/78/995221478.db2.gz UHKVKFXDTOIGKF-KWQFWETISA-N 2 1 247.346 1.262 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307989853 995517632 /nfs/dbraw/zinc/51/76/32/995517632.db2.gz VLCFXRWZLTUUQN-SYQHCUMBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@@H]1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307989853 995517641 /nfs/dbraw/zinc/51/76/41/995517641.db2.gz VLCFXRWZLTUUQN-SYQHCUMBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@@H]1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307989853 995517651 /nfs/dbraw/zinc/51/76/51/995517651.db2.gz VLCFXRWZLTUUQN-SYQHCUMBSA-N 2 1 238.375 1.295 20 0 BDADMP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000563201403 398146481 /nfs/dbraw/zinc/14/64/81/398146481.db2.gz UDIVDUDBZVDEGY-SDDRHHMPSA-N 2 1 241.379 1.103 20 0 BDADMP CO[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000161593835 349481843 /nfs/dbraw/zinc/48/18/43/349481843.db2.gz SQGVZUFFRSNLGB-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000161593835 349481846 /nfs/dbraw/zinc/48/18/46/349481846.db2.gz SQGVZUFFRSNLGB-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1cnn2ccccc12 ZINC000071372617 398147739 /nfs/dbraw/zinc/14/77/39/398147739.db2.gz IHPBLEJAPXYAAW-UHFFFAOYSA-N 2 1 232.331 1.376 20 0 BDADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCOCC1 ZINC000062911282 349495996 /nfs/dbraw/zinc/49/59/96/349495996.db2.gz ZZILMEWCPCWUTH-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)CCn1cccn1 ZINC000161791188 349498623 /nfs/dbraw/zinc/49/86/23/349498623.db2.gz JBODWPKRAPVGMH-UHFFFAOYSA-N 2 1 236.363 1.301 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCn1cccn1 ZINC000161791188 349498626 /nfs/dbraw/zinc/49/86/26/349498626.db2.gz JBODWPKRAPVGMH-UHFFFAOYSA-N 2 1 236.363 1.301 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000228160702 178001690 /nfs/dbraw/zinc/00/16/90/178001690.db2.gz FPRGLZOMXAWOSN-VHSXEESVSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000228160702 178001691 /nfs/dbraw/zinc/00/16/91/178001691.db2.gz FPRGLZOMXAWOSN-VHSXEESVSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](O)C1 ZINC000161839445 349510968 /nfs/dbraw/zinc/51/09/68/349510968.db2.gz ROXBABIYXPCVMM-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](O)C1 ZINC000161839445 349510971 /nfs/dbraw/zinc/51/09/71/349510971.db2.gz ROXBABIYXPCVMM-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP Clc1c[nH+]ccc1N[C@H]1CCC[NH2+]C1 ZINC000086839915 398191989 /nfs/dbraw/zinc/19/19/89/398191989.db2.gz HPICNRQERLUFPQ-QMMMGPOBSA-N 2 1 211.696 1.899 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CC(C)(C)O)CC2 ZINC000334196442 398193946 /nfs/dbraw/zinc/19/39/46/398193946.db2.gz MULGIBWKGLLTHB-UHFFFAOYSA-N 2 1 226.364 1.318 20 0 BDADMP Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc(C)[nH+]1 ZINC000228551073 178121792 /nfs/dbraw/zinc/12/17/92/178121792.db2.gz LOAOCGWRGRMKNT-YNEHKIRRSA-N 2 1 246.358 1.657 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000082581087 136221713 /nfs/dbraw/zinc/22/17/13/136221713.db2.gz HWLYQCBYACABFC-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP CCN(C)C[C@@H](O)C[NH+]1CC(C2CCCC2)C1 ZINC000576359758 365577053 /nfs/dbraw/zinc/57/70/53/365577053.db2.gz LGFURLMUOYJBKR-CQSZACIVSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C2CCCC2)C1 ZINC000576359758 365577056 /nfs/dbraw/zinc/57/70/56/365577056.db2.gz LGFURLMUOYJBKR-CQSZACIVSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C2CCCC2)C1 ZINC000576359758 365577061 /nfs/dbraw/zinc/57/70/61/365577061.db2.gz LGFURLMUOYJBKR-CQSZACIVSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000386750721 398219229 /nfs/dbraw/zinc/21/92/29/398219229.db2.gz GLZVNXHCCAOQHT-CHWSQXEVSA-N 2 1 236.363 1.169 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000649413860 398211815 /nfs/dbraw/zinc/21/18/15/398211815.db2.gz NRBMPSOFPVMPGS-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@]1(CC)CO ZINC000191895039 361776638 /nfs/dbraw/zinc/77/66/38/361776638.db2.gz ZOHRRTDLSRIREZ-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP CC(C)(C[NH2+]Cc1cncnc1)C[NH+]1CCCC1 ZINC000276704835 538933307 /nfs/dbraw/zinc/93/33/07/538933307.db2.gz OOEBGHGITDCBMC-UHFFFAOYSA-N 2 1 248.374 1.688 20 0 BDADMP CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000430764840 398230984 /nfs/dbraw/zinc/23/09/84/398230984.db2.gz UDIVDUDBZVDEGY-WOPDTQHZSA-N 2 1 241.379 1.103 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000521337785 259305964 /nfs/dbraw/zinc/30/59/64/259305964.db2.gz HZJQOZHMVPDKQN-LBPRGKRZSA-N 2 1 234.347 1.216 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000521337785 259305965 /nfs/dbraw/zinc/30/59/65/259305965.db2.gz HZJQOZHMVPDKQN-LBPRGKRZSA-N 2 1 234.347 1.216 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000229539060 538939737 /nfs/dbraw/zinc/93/97/37/538939737.db2.gz KBXISIOZTSHBLY-WCQYABFASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000229539060 538939738 /nfs/dbraw/zinc/93/97/38/538939738.db2.gz KBXISIOZTSHBLY-WCQYABFASA-N 2 1 225.380 1.153 20 0 BDADMP CCc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000252787091 136227096 /nfs/dbraw/zinc/22/70/96/136227096.db2.gz QDSBUXBUBKMVKS-ONGXEEELSA-N 2 1 234.347 1.521 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000252793263 136226856 /nfs/dbraw/zinc/22/68/56/136226856.db2.gz WWOYQSKTVRKWQE-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP CCN1CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000252793263 136226857 /nfs/dbraw/zinc/22/68/57/136226857.db2.gz WWOYQSKTVRKWQE-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP C[NH+](C)Cc1ccsc1-c1nc(C[NH3+])no1 ZINC000576466143 365603587 /nfs/dbraw/zinc/60/35/87/365603587.db2.gz QCVMKCSKGSTCCF-UHFFFAOYSA-N 2 1 238.316 1.318 20 0 BDADMP C[C@H](CO)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000162052476 349539153 /nfs/dbraw/zinc/53/91/53/349539153.db2.gz AWNVHPUQAJLVAR-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000286036761 538943400 /nfs/dbraw/zinc/94/34/00/538943400.db2.gz KKDSYFBPNWUOKS-QWRGUYRKSA-N 2 1 247.346 1.902 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000379912573 365641288 /nfs/dbraw/zinc/64/12/88/365641288.db2.gz NTMQMCVTNHJNIH-WDEREUQCSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1nccn1CC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000334538641 136230797 /nfs/dbraw/zinc/23/07/97/136230797.db2.gz DVIHNSAOQLMOFI-PTEHBNRSSA-N 2 1 237.347 1.425 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000381543971 398262764 /nfs/dbraw/zinc/26/27/64/398262764.db2.gz JIIGLTRAFJCVOM-FRRDWIJNSA-N 2 1 208.349 1.718 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCn2ccnc2)C1 ZINC000162096307 349562878 /nfs/dbraw/zinc/56/28/78/349562878.db2.gz JHFWVYXDCIGXDJ-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000162096307 349562879 /nfs/dbraw/zinc/56/28/79/349562879.db2.gz JHFWVYXDCIGXDJ-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000162096307 349562884 /nfs/dbraw/zinc/56/28/84/349562884.db2.gz JHFWVYXDCIGXDJ-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162139545 349574223 /nfs/dbraw/zinc/57/42/23/349574223.db2.gz IHPXWKKVGKMWRH-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162139545 349574226 /nfs/dbraw/zinc/57/42/26/349574226.db2.gz IHPXWKKVGKMWRH-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162139545 349574229 /nfs/dbraw/zinc/57/42/29/349574229.db2.gz IHPXWKKVGKMWRH-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCC[N@@H+]1CC[C@H](OC)C[C@@H]1CN ZINC000165639703 361842857 /nfs/dbraw/zinc/84/28/57/361842857.db2.gz RYYNQYVAAYFDFT-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@H+]1CC[C@H](OC)C[C@@H]1CN ZINC000165639703 361842859 /nfs/dbraw/zinc/84/28/59/361842859.db2.gz RYYNQYVAAYFDFT-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000165639703 361842862 /nfs/dbraw/zinc/84/28/62/361842862.db2.gz RYYNQYVAAYFDFT-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000165639703 361842865 /nfs/dbraw/zinc/84/28/65/361842865.db2.gz RYYNQYVAAYFDFT-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000335610921 136236988 /nfs/dbraw/zinc/23/69/88/136236988.db2.gz HCAXYXNUHMOGFA-DGCLKSJQSA-N 2 1 233.359 1.686 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(C)c1 ZINC000530513223 342801408 /nfs/dbraw/zinc/80/14/08/342801408.db2.gz UFHHBSNIYUQHRO-ZDUSSCGKSA-N 2 1 247.346 1.437 20 0 BDADMP Cc1ccc(C[N@H+](C)CCC[NH3+])c(C)n1 ZINC000381980192 398294300 /nfs/dbraw/zinc/29/43/00/398294300.db2.gz HKGPYGMOWKKJKW-UHFFFAOYSA-N 2 1 207.321 1.479 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])c(C)n1 ZINC000381980192 398294302 /nfs/dbraw/zinc/29/43/02/398294302.db2.gz HKGPYGMOWKKJKW-UHFFFAOYSA-N 2 1 207.321 1.479 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400406865 529398810 /nfs/dbraw/zinc/39/88/10/529398810.db2.gz RRWUDSRBGGOMOB-HBNTYKKESA-N 2 1 200.326 1.142 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCOCc2ccccc2)C1 ZINC000390783768 539027395 /nfs/dbraw/zinc/02/73/95/539027395.db2.gz TXKBPAGTHBNSJV-OAHLLOKOSA-N 2 1 248.370 1.874 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634215 136241540 /nfs/dbraw/zinc/24/15/40/136241540.db2.gz NSQXKOAFABTUCH-CHWSQXEVSA-N 2 1 248.374 1.242 20 0 BDADMP C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000035603678 342889886 /nfs/dbraw/zinc/88/98/86/342889886.db2.gz AGSIQMISWUEVJD-ZDUSSCGKSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351618782 136247882 /nfs/dbraw/zinc/24/78/82/136247882.db2.gz IMOIWONXUXTRHM-MRVWCRGKSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351618782 136247883 /nfs/dbraw/zinc/24/78/83/136247883.db2.gz IMOIWONXUXTRHM-MRVWCRGKSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351618782 136247884 /nfs/dbraw/zinc/24/78/84/136247884.db2.gz IMOIWONXUXTRHM-MRVWCRGKSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351618782 136247885 /nfs/dbraw/zinc/24/78/85/136247885.db2.gz IMOIWONXUXTRHM-MRVWCRGKSA-N 2 1 240.391 1.562 20 0 BDADMP Clc1cccc(CC[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000215905523 346877869 /nfs/dbraw/zinc/87/78/69/346877869.db2.gz ZAVFEAQJSNXYJK-LBPRGKRZSA-N 2 1 224.735 1.834 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](CCCc2ccccc2)CCCO1 ZINC000313352830 259333959 /nfs/dbraw/zinc/33/39/59/259333959.db2.gz LWIGFUZBCZFSPC-OAHLLOKOSA-N 2 1 248.370 1.669 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccccc2)CCCO1 ZINC000313352830 259333961 /nfs/dbraw/zinc/33/39/61/259333961.db2.gz LWIGFUZBCZFSPC-OAHLLOKOSA-N 2 1 248.370 1.669 20 0 BDADMP CCc1cc(NC[C@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000307774993 529557656 /nfs/dbraw/zinc/55/76/56/529557656.db2.gz RWLNMRDHFGAHJL-AWEZNQCLSA-N 2 1 248.374 1.302 20 0 BDADMP CCc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)cc[nH+]1 ZINC000307774993 529557658 /nfs/dbraw/zinc/55/76/58/529557658.db2.gz RWLNMRDHFGAHJL-AWEZNQCLSA-N 2 1 248.374 1.302 20 0 BDADMP CCc1cc(NC[C@H]2CN(C)CC[N@H+]2C)cc[nH+]1 ZINC000307774993 529557661 /nfs/dbraw/zinc/55/76/61/529557661.db2.gz RWLNMRDHFGAHJL-AWEZNQCLSA-N 2 1 248.374 1.302 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000602719991 349712251 /nfs/dbraw/zinc/71/22/51/349712251.db2.gz VPZIVCVTHGFNGK-KKOKHZNYSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000602719991 349712254 /nfs/dbraw/zinc/71/22/54/349712254.db2.gz VPZIVCVTHGFNGK-KKOKHZNYSA-N 2 1 240.347 1.010 20 0 BDADMP COCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251191417 536767341 /nfs/dbraw/zinc/76/73/41/536767341.db2.gz JCZKTYSNMAVNGY-UTUOFQBUSA-N 2 1 212.337 1.238 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251191417 536767349 /nfs/dbraw/zinc/76/73/49/536767349.db2.gz JCZKTYSNMAVNGY-UTUOFQBUSA-N 2 1 212.337 1.238 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@@H](C)COC ZINC000562744807 323029775 /nfs/dbraw/zinc/02/97/75/323029775.db2.gz XJOIVBXDSWNWAD-MNOVXSKESA-N 2 1 202.342 1.376 20 0 BDADMP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000235926762 343067409 /nfs/dbraw/zinc/06/74/09/343067409.db2.gz WHVSWMFBOAZBGT-NXEZZACHSA-N 2 1 225.361 1.669 20 0 BDADMP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000093210719 343151263 /nfs/dbraw/zinc/15/12/63/343151263.db2.gz DDQXVMQNKOILGM-MELADBBJSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+]2CC3CCC2(C[NH3+])CC3)O1 ZINC000634687868 343245139 /nfs/dbraw/zinc/24/51/39/343245139.db2.gz BMXCLWUDNCMBDQ-RJZJGCCBSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2CC3CCC2(C[NH3+])CC3)O1 ZINC000634687868 343245141 /nfs/dbraw/zinc/24/51/41/343245141.db2.gz BMXCLWUDNCMBDQ-RJZJGCCBSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCCCC[C@@H]([NH3+])C2)O1 ZINC000634687917 343245421 /nfs/dbraw/zinc/24/54/21/343245421.db2.gz CXMLMCSGLYLOTI-JHJVBQTASA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCCCC[C@@H]([NH3+])C2)O1 ZINC000634687917 343245424 /nfs/dbraw/zinc/24/54/24/343245424.db2.gz CXMLMCSGLYLOTI-JHJVBQTASA-N 2 1 226.364 1.757 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000634688260 343246330 /nfs/dbraw/zinc/24/63/30/343246330.db2.gz NHPGFJLJHNTELA-DGCLKSJQSA-N 2 1 230.396 1.571 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000634688273 343246580 /nfs/dbraw/zinc/24/65/80/343246580.db2.gz NMJDQOAJACJEDG-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000634688070 343247143 /nfs/dbraw/zinc/24/71/43/343247143.db2.gz HEBOOCKBNCQPES-YVECIDJPSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000634688070 343247144 /nfs/dbraw/zinc/24/71/44/343247144.db2.gz HEBOOCKBNCQPES-YVECIDJPSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])O1 ZINC000634688159 343247436 /nfs/dbraw/zinc/24/74/36/343247436.db2.gz JRORNZVNPKAETQ-FVCCEPFGSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])O1 ZINC000634688159 343247438 /nfs/dbraw/zinc/24/74/38/343247438.db2.gz JRORNZVNPKAETQ-FVCCEPFGSA-N 2 1 226.364 1.613 20 0 BDADMP Cn1nccc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000634688654 343248688 /nfs/dbraw/zinc/24/86/88/343248688.db2.gz ZQYVBMAZGCXCCH-JSGCOSHPSA-N 2 1 248.374 1.037 20 0 BDADMP Cn1nccc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000634688653 343248706 /nfs/dbraw/zinc/24/87/06/343248706.db2.gz ZQYVBMAZGCXCCH-GXTWGEPZSA-N 2 1 248.374 1.037 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000310120611 343288669 /nfs/dbraw/zinc/28/86/69/343288669.db2.gz ACCHZIFXURZMAB-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000348757314 136297505 /nfs/dbraw/zinc/29/75/05/136297505.db2.gz VAOCYXGZXCLIIY-CQSZACIVSA-N 2 1 248.374 1.267 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000348755679 136297810 /nfs/dbraw/zinc/29/78/10/136297810.db2.gz ILQJQDDWBBUYAJ-RYUDHWBXSA-N 2 1 236.363 1.264 20 0 BDADMP c1cncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335631347 136300236 /nfs/dbraw/zinc/30/02/36/136300236.db2.gz AZCSCEKPRAGRGM-LSDHHAIUSA-N 2 1 245.370 1.903 20 0 BDADMP c1cncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335631344 136300301 /nfs/dbraw/zinc/30/03/01/136300301.db2.gz AZCSCEKPRAGRGM-CABCVRRESA-N 2 1 245.370 1.903 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC000335641615 136308487 /nfs/dbraw/zinc/30/84/87/136308487.db2.gz URDMUCJGSNOPCF-NWDGAFQWSA-N 2 1 219.332 1.620 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166216244 136309324 /nfs/dbraw/zinc/30/93/24/136309324.db2.gz FSUJYXLUYMHCNL-JSGCOSHPSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000166220662 136310465 /nfs/dbraw/zinc/31/04/65/136310465.db2.gz KYMIKIXLQDAFNU-IUCAKERBSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000166220662 136310466 /nfs/dbraw/zinc/31/04/66/136310466.db2.gz KYMIKIXLQDAFNU-IUCAKERBSA-N 2 1 240.269 1.234 20 0 BDADMP Cc1cc(NC(C)(C)C[NH+](C)C)nc(C)[nH+]1 ZINC000308658364 488213704 /nfs/dbraw/zinc/21/37/04/488213704.db2.gz MUCFVPBMKDIWDX-UHFFFAOYSA-N 2 1 222.336 1.846 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166226784 136314096 /nfs/dbraw/zinc/31/40/96/136314096.db2.gz QOFSTNNYOOKLDP-LDYMZIIASA-N 2 1 223.320 1.461 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000166229873 136314954 /nfs/dbraw/zinc/31/49/54/136314954.db2.gz AXZIYVHNZSKATD-WDEREUQCSA-N 2 1 222.307 1.995 20 0 BDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cocn3)C2)CC1 ZINC000349151817 136326448 /nfs/dbraw/zinc/32/64/48/136326448.db2.gz OPFFQAJTBNYVSX-CYBMUJFWSA-N 2 1 249.358 1.838 20 0 BDADMP CC[C@@](C)([NH3+])c1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641155736 362243306 /nfs/dbraw/zinc/24/33/06/362243306.db2.gz CTPUPVNSSYSVPW-GFCCVEGCSA-N 2 1 248.334 1.250 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCCF)CC[C@H]21 ZINC000247969766 136373657 /nfs/dbraw/zinc/37/36/57/136373657.db2.gz HEOIZCGOJGKGKD-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCCF)CC[C@H]21 ZINC000247969766 136373658 /nfs/dbraw/zinc/37/36/58/136373658.db2.gz HEOIZCGOJGKGKD-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC000247969766 136373659 /nfs/dbraw/zinc/37/36/59/136373659.db2.gz HEOIZCGOJGKGKD-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000323765224 488221180 /nfs/dbraw/zinc/22/11/80/488221180.db2.gz WAVLDHZYJOZCNK-QWHCGFSZSA-N 2 1 228.380 1.466 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1CC(C)(C)[C@@H]1C1CC1 ZINC000570060697 323049029 /nfs/dbraw/zinc/04/90/29/323049029.db2.gz OHIXZIUWJZLTHL-STQMWFEESA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]1C1CC1 ZINC000570060697 323049032 /nfs/dbraw/zinc/04/90/32/323049032.db2.gz OHIXZIUWJZLTHL-STQMWFEESA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]1C1CC1 ZINC000570060697 323049033 /nfs/dbraw/zinc/04/90/33/323049033.db2.gz OHIXZIUWJZLTHL-STQMWFEESA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000570060697 323049034 /nfs/dbraw/zinc/04/90/34/323049034.db2.gz OHIXZIUWJZLTHL-STQMWFEESA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000570060697 323049035 /nfs/dbraw/zinc/04/90/35/323049035.db2.gz OHIXZIUWJZLTHL-STQMWFEESA-N 2 1 240.391 1.419 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCC2)CCCO1 ZINC000398947574 488225656 /nfs/dbraw/zinc/22/56/56/488225656.db2.gz YUBTWFBXDVLLIZ-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCC2)CCCO1 ZINC000398947572 488225672 /nfs/dbraw/zinc/22/56/72/488225672.db2.gz YUBTWFBXDVLLIZ-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(O)c1 ZINC000049553413 343602726 /nfs/dbraw/zinc/60/27/26/343602726.db2.gz UNYICFPHKIGHKR-NSHDSACASA-N 2 1 222.332 1.822 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(C)s1 ZINC000086070558 343610467 /nfs/dbraw/zinc/61/04/67/343610467.db2.gz ZKNFWZQIQKTUTQ-QMMMGPOBSA-N 2 1 213.350 1.397 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCc1ccc2c(c1)CCO2 ZINC000580563803 365782063 /nfs/dbraw/zinc/78/20/63/365782063.db2.gz CNBGNOLITRFUGU-UHFFFAOYSA-N 2 1 248.370 1.835 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCCC1 ZINC000309049376 346956938 /nfs/dbraw/zinc/95/69/38/346956938.db2.gz OPGWMOJSCANITA-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCCC1 ZINC000309049376 346956941 /nfs/dbraw/zinc/95/69/41/346956941.db2.gz OPGWMOJSCANITA-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CC1(F)CC1 ZINC000309067451 346958830 /nfs/dbraw/zinc/95/88/30/346958830.db2.gz AEULFENJYLQYMZ-UHFFFAOYSA-N 2 1 211.284 1.673 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000313023051 343744708 /nfs/dbraw/zinc/74/47/08/343744708.db2.gz CEWNYOQPFURKIS-LBPRGKRZSA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000082862874 133506861 /nfs/dbraw/zinc/50/68/61/133506861.db2.gz ZXOCGVKHHBLKFP-HTQZYQBOSA-N 2 1 210.243 1.656 20 0 BDADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336699167 537827869 /nfs/dbraw/zinc/82/78/69/537827869.db2.gz ZSVLZBMRXOLZHG-YNEHKIRRSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336699167 537827876 /nfs/dbraw/zinc/82/78/76/537827876.db2.gz ZSVLZBMRXOLZHG-YNEHKIRRSA-N 2 1 226.364 1.077 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(CO)CCCCC2)CC1 ZINC000094517564 537840271 /nfs/dbraw/zinc/84/02/71/537840271.db2.gz JQRGWIWDJPSDMR-UHFFFAOYSA-N 2 1 240.391 1.613 20 0 BDADMP c1nc2c([nH]1)CC[C@H]([NH2+]Cc1cocn1)C2 ZINC000309336189 347035255 /nfs/dbraw/zinc/03/52/55/347035255.db2.gz ASITYOZGNOODSW-QMMMGPOBSA-N 2 1 218.260 1.045 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000132204670 344283730 /nfs/dbraw/zinc/28/37/30/344283730.db2.gz YVELIKKHFCZEKX-QWRGUYRKSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328453350 344298441 /nfs/dbraw/zinc/29/84/41/344298441.db2.gz DQZDSIFVFSQFJH-RNJOBUHISA-N 2 1 226.364 1.207 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@@H]([NH3+])C[C@H]2C)c1C ZINC000385096422 344323869 /nfs/dbraw/zinc/32/38/69/344323869.db2.gz NYAXGSVTAHUKRN-PWSUYJOCSA-N 2 1 249.358 1.629 20 0 BDADMP COC(=O)CCCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000600700823 344359832 /nfs/dbraw/zinc/35/98/32/344359832.db2.gz FICUQDFAXZWNPZ-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000600700823 344359836 /nfs/dbraw/zinc/35/98/36/344359836.db2.gz FICUQDFAXZWNPZ-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP COC(=O)CCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000600710541 344361129 /nfs/dbraw/zinc/36/11/29/344361129.db2.gz OKBXSMDQZAQZSK-YPMHNXCESA-N 2 1 240.347 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000600710541 344361131 /nfs/dbraw/zinc/36/11/31/344361131.db2.gz OKBXSMDQZAQZSK-YPMHNXCESA-N 2 1 240.347 1.143 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000385194493 344371610 /nfs/dbraw/zinc/37/16/10/344371610.db2.gz OBMZDQKEMXVHKT-BBBLOLIVSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000385194493 344371612 /nfs/dbraw/zinc/37/16/12/344371612.db2.gz OBMZDQKEMXVHKT-BBBLOLIVSA-N 2 1 218.291 1.843 20 0 BDADMP Cc1nc(N[C@@H]2CC[NH2+][C@H](C)C2)c(C)c(C)[nH+]1 ZINC000634808547 344393320 /nfs/dbraw/zinc/39/33/20/344393320.db2.gz WLPTVYMOAOPNPN-PRHODGIISA-N 2 1 234.347 1.954 20 0 BDADMP [NH3+][C@H]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000634813225 344398212 /nfs/dbraw/zinc/39/82/12/344398212.db2.gz CSUUXVRUNVUXPU-KYZUINATSA-N 2 1 231.303 1.640 20 0 BDADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000381312341 344495072 /nfs/dbraw/zinc/49/50/72/344495072.db2.gz LXQJQXWPKQWJMG-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]1C[C@@H](NC[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000624100976 344538814 /nfs/dbraw/zinc/53/88/14/344538814.db2.gz AJSCCWPJWGCKSV-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000624100976 344538815 /nfs/dbraw/zinc/53/88/15/344538815.db2.gz AJSCCWPJWGCKSV-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H](NC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000624100976 344538817 /nfs/dbraw/zinc/53/88/17/344538817.db2.gz AJSCCWPJWGCKSV-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)CC[N@@H+]1C ZINC000624100976 344538818 /nfs/dbraw/zinc/53/88/18/344538818.db2.gz AJSCCWPJWGCKSV-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)CC[N@H+]1C ZINC000624100976 344538820 /nfs/dbraw/zinc/53/88/20/344538820.db2.gz AJSCCWPJWGCKSV-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccc(OC)nc2)CC[C@@H]1[NH3+] ZINC000158334508 344600436 /nfs/dbraw/zinc/60/04/36/344600436.db2.gz ZABYCWOVNXUDTG-STQMWFEESA-N 2 1 249.358 1.649 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)nc2)CC[C@@H]1[NH3+] ZINC000158334508 344600437 /nfs/dbraw/zinc/60/04/37/344600437.db2.gz ZABYCWOVNXUDTG-STQMWFEESA-N 2 1 249.358 1.649 20 0 BDADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000158594031 344689689 /nfs/dbraw/zinc/68/96/89/344689689.db2.gz MHYJDWZOSZXQEO-GHMZBOCLSA-N 2 1 216.394 1.669 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1scnc1C1CC1 ZINC000309471636 347071438 /nfs/dbraw/zinc/07/14/38/347071438.db2.gz RCMLCMXKLGRCME-UHFFFAOYSA-N 2 1 225.361 1.801 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1scnc1C1CC1 ZINC000309471636 347071442 /nfs/dbraw/zinc/07/14/42/347071442.db2.gz RCMLCMXKLGRCME-UHFFFAOYSA-N 2 1 225.361 1.801 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000574452557 344854774 /nfs/dbraw/zinc/85/47/74/344854774.db2.gz BVKAQDBITDJGSD-YPMHNXCESA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000574452551 344854958 /nfs/dbraw/zinc/85/49/58/344854958.db2.gz BVKAQDBITDJGSD-AAEUAGOBSA-N 3 1 225.380 1.045 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)o1 ZINC000628201569 344976694 /nfs/dbraw/zinc/97/66/94/344976694.db2.gz LLKUSUMKKNRMQX-JTQLQIEISA-N 2 1 248.330 1.914 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccoc1 ZINC000579221107 344943821 /nfs/dbraw/zinc/94/38/21/344943821.db2.gz AHHFTTDSPBSBSN-JBLDHEPKSA-N 2 1 208.305 1.928 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)o1 ZINC000628201570 344976228 /nfs/dbraw/zinc/97/62/28/344976228.db2.gz LLKUSUMKKNRMQX-SNVBAGLBSA-N 2 1 248.330 1.914 20 0 BDADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000357925691 345062487 /nfs/dbraw/zinc/06/24/87/345062487.db2.gz CEAXPWKLOHKRTE-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000357925691 345062489 /nfs/dbraw/zinc/06/24/89/345062489.db2.gz CEAXPWKLOHKRTE-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000634991598 345178622 /nfs/dbraw/zinc/17/86/22/345178622.db2.gz KHRBBZXVFYFJDK-RFQIPJPRSA-N 3 1 239.407 1.277 20 0 BDADMP c1ccc(CC[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000634996074 345186559 /nfs/dbraw/zinc/18/65/59/345186559.db2.gz YTUGBONUQVRBNG-UHFFFAOYSA-N 2 1 216.328 1.571 20 0 BDADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccon1 ZINC000634967669 345142816 /nfs/dbraw/zinc/14/28/16/345142816.db2.gz UVBOXVONZYQODU-LBPRGKRZSA-N 2 1 241.335 1.121 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000634993709 345192221 /nfs/dbraw/zinc/19/22/21/345192221.db2.gz CPDKWXZNZBXKSQ-RWMBFGLXSA-N 2 1 225.380 1.044 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000634993709 345192222 /nfs/dbraw/zinc/19/22/22/345192222.db2.gz CPDKWXZNZBXKSQ-RWMBFGLXSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000635000133 345202307 /nfs/dbraw/zinc/20/23/07/345202307.db2.gz HWONBRVQXCXUKM-CMPLNLGQSA-N 2 1 220.316 1.419 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000635003141 345205405 /nfs/dbraw/zinc/20/54/05/345205405.db2.gz GPAMMYMMYJWHPO-TUAOUCFPSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1C ZINC000635007589 345206474 /nfs/dbraw/zinc/20/64/74/345206474.db2.gz RLWNHFLSUAENOE-AAVRWANBSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1C ZINC000635007589 345206477 /nfs/dbraw/zinc/20/64/77/345206477.db2.gz RLWNHFLSUAENOE-AAVRWANBSA-N 3 1 239.407 1.576 20 0 BDADMP COCCCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000158525640 345344445 /nfs/dbraw/zinc/34/44/45/345344445.db2.gz SXDNLYHRAIDRIK-LBPRGKRZSA-N 2 1 216.369 1.718 20 0 BDADMP C[C@@H](CCNC(N)=[NH2+])[N@@H+](C)Cc1ccccc1 ZINC000081781038 345492107 /nfs/dbraw/zinc/49/21/07/345492107.db2.gz DKOMZKDJPPQAOU-NSHDSACASA-N 2 1 234.347 1.380 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC[NH3+] ZINC000115822085 345677124 /nfs/dbraw/zinc/67/71/24/345677124.db2.gz AXBRQZAHNADPAJ-CYBMUJFWSA-N 2 1 233.359 1.151 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCO1 ZINC000138115399 345693990 /nfs/dbraw/zinc/69/39/90/345693990.db2.gz ISEFRBAIUMNGSI-APYLGABCSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(Cc3ccon3)CC[C@@H]21 ZINC000158885265 345759494 /nfs/dbraw/zinc/75/94/94/345759494.db2.gz PLZVOPHMVGYBNY-AAEUAGOBSA-N 2 1 235.331 1.591 20 0 BDADMP CC[NH+](CC)CCCC1CC[NH+](CCN)CC1 ZINC000149081385 345715195 /nfs/dbraw/zinc/71/51/95/345715195.db2.gz VOTNWGLOTJONDZ-UHFFFAOYSA-N 3 1 241.423 1.779 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000205144279 345732752 /nfs/dbraw/zinc/73/27/52/345732752.db2.gz VBYVLIDUYBHGIK-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567896416 323098017 /nfs/dbraw/zinc/09/80/17/323098017.db2.gz JVQOICJXHKWJBL-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)C(C)(C)C1 ZINC000581377367 345942924 /nfs/dbraw/zinc/94/29/24/345942924.db2.gz ABKUUPOKQDCSDQ-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](C)C(C)(C)C1 ZINC000581377367 345942926 /nfs/dbraw/zinc/94/29/26/345942926.db2.gz ABKUUPOKQDCSDQ-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000381470810 346002901 /nfs/dbraw/zinc/00/29/01/346002901.db2.gz MNWRYBNTBXWADJ-AVGNSLFASA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000381470810 346002903 /nfs/dbraw/zinc/00/29/03/346002903.db2.gz MNWRYBNTBXWADJ-AVGNSLFASA-N 2 1 227.396 1.255 20 0 BDADMP C[C@@H](C[NH+](C)C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635928537 346111045 /nfs/dbraw/zinc/11/10/45/346111045.db2.gz IJECNOLEPOOFQK-NSHDSACASA-N 2 1 243.395 1.031 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635939814 346124486 /nfs/dbraw/zinc/12/44/86/346124486.db2.gz FVBRQLAAYHTNMR-VXGBXAGGSA-N 2 1 243.395 1.173 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CCCS3)C[C@@H]2C1 ZINC000628253307 346229711 /nfs/dbraw/zinc/22/97/11/346229711.db2.gz BEIXDWSRMWYCSA-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP Nc1cnccc1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000641755523 362681117 /nfs/dbraw/zinc/68/11/17/362681117.db2.gz LQEOAIDNIVUOPK-JTQLQIEISA-N 2 1 243.314 1.034 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000051669516 179059540 /nfs/dbraw/zinc/05/95/40/179059540.db2.gz NZSXGLANLLTUHY-AWEZNQCLSA-N 2 1 218.344 1.879 20 0 BDADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000419200957 192102293 /nfs/dbraw/zinc/10/22/93/192102293.db2.gz FCMFTEBRAKELNH-KBPBESRZSA-N 2 1 242.407 1.931 20 0 BDADMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000011891263 179079515 /nfs/dbraw/zinc/07/95/15/179079515.db2.gz BDSHSISUPPUKTE-ZDUSSCGKSA-N 2 1 204.317 1.776 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000641798270 362742562 /nfs/dbraw/zinc/74/25/62/362742562.db2.gz DHNPFTWLMXSXNR-ZIAGYGMSSA-N 2 1 248.374 1.416 20 0 BDADMP Cn1cncc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798966 362746362 /nfs/dbraw/zinc/74/63/62/362746362.db2.gz RTWNPMNIGWMLHC-IACUBPJLSA-N 2 1 248.374 1.022 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CCc1cn[nH]c1)C1CCCCC1 ZINC000641800110 362750229 /nfs/dbraw/zinc/75/02/29/362750229.db2.gz WKKWKQKSZFYTHI-CYBMUJFWSA-N 2 1 236.363 1.449 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803941 362761292 /nfs/dbraw/zinc/76/12/92/362761292.db2.gz WEZJPDOKIJIBME-NWDGAFQWSA-N 3 1 236.363 1.297 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOCC2CC2)[C@@H]1C ZINC000641808332 362763330 /nfs/dbraw/zinc/76/33/30/362763330.db2.gz MWBKRLTYFDWYHG-YRGRVCCFSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOCC2CC2)[C@@H]1C ZINC000641808332 362763335 /nfs/dbraw/zinc/76/33/35/362763335.db2.gz MWBKRLTYFDWYHG-YRGRVCCFSA-N 2 1 240.391 1.861 20 0 BDADMP CCC(C)(C)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805400 362763365 /nfs/dbraw/zinc/76/33/65/362763365.db2.gz NSIMTHYKJOHXFX-UWVGGRQHSA-N 2 1 241.379 1.007 20 0 BDADMP CCc1nc([C@H](C)N[C@H]2C[C@H]([NH3+])C2(C)C)n[nH]1 ZINC000641800577 362751786 /nfs/dbraw/zinc/75/17/86/362751786.db2.gz BOGADYCVVZNNKR-CIUDSAMLSA-N 2 1 237.351 1.144 20 0 BDADMP CN(C)c1cc(NC(=O)CCCC[NH3+])cc[nH+]1 ZINC000577104058 365817565 /nfs/dbraw/zinc/81/75/65/365817565.db2.gz KCARTGMWYGPGHV-UHFFFAOYSA-N 2 1 236.319 1.215 20 0 BDADMP CCn1ccnc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170792 349967179 /nfs/dbraw/zinc/96/71/79/349967179.db2.gz RPKYZKUUKVDACI-GFCCVEGCSA-N 2 1 236.363 1.464 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309536120 347096589 /nfs/dbraw/zinc/09/65/89/347096589.db2.gz FISJNXMSVXABBT-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309536120 347096592 /nfs/dbraw/zinc/09/65/92/347096592.db2.gz FISJNXMSVXABBT-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000641804303 362760931 /nfs/dbraw/zinc/76/09/31/362760931.db2.gz YAIIFWLYRXEFST-TUAOUCFPSA-N 2 1 225.380 1.092 20 0 BDADMP COC[C@H](C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+])OC ZINC000641810425 362766202 /nfs/dbraw/zinc/76/62/02/362766202.db2.gz WVLAHTNOHYIYHN-NDBYEHHHSA-N 2 1 244.379 1.096 20 0 BDADMP COC[C@H](C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+])OC ZINC000641810425 362766205 /nfs/dbraw/zinc/76/62/05/362766205.db2.gz WVLAHTNOHYIYHN-NDBYEHHHSA-N 2 1 244.379 1.096 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000187645032 346594046 /nfs/dbraw/zinc/59/40/46/346594046.db2.gz DTUNFNWUSQIRGV-NEPJUHHUSA-N 2 1 239.363 1.700 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C=CCCC1)C1CC1 ZINC000562991450 346718255 /nfs/dbraw/zinc/71/82/55/346718255.db2.gz OSBCUJZMHGJAFR-YPMHNXCESA-N 2 1 224.348 1.140 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C=CCCC1)C1CC1 ZINC000562991450 346718256 /nfs/dbraw/zinc/71/82/56/346718256.db2.gz OSBCUJZMHGJAFR-YPMHNXCESA-N 2 1 224.348 1.140 20 0 BDADMP COC[C@@H](C)C[NH2+]CCCCn1cc[nH+]c1C ZINC000188017238 346690854 /nfs/dbraw/zinc/69/08/54/346690854.db2.gz XJLQATVRHBXARW-LBPRGKRZSA-N 2 1 239.363 1.844 20 0 BDADMP CC[C@H]1CCCCC[N@H+]1C[C@@H](O)CN(C)CC ZINC000380087973 365870917 /nfs/dbraw/zinc/87/09/17/365870917.db2.gz UETPJJKNFDXQNF-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000380087973 365870921 /nfs/dbraw/zinc/87/09/21/365870921.db2.gz UETPJJKNFDXQNF-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000380087973 365870926 /nfs/dbraw/zinc/87/09/26/365870926.db2.gz UETPJJKNFDXQNF-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000380087973 365870929 /nfs/dbraw/zinc/87/09/29/365870929.db2.gz UETPJJKNFDXQNF-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000380087973 365870938 /nfs/dbraw/zinc/87/09/38/365870938.db2.gz UETPJJKNFDXQNF-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622005079 370655548 /nfs/dbraw/zinc/65/55/48/370655548.db2.gz YIMYEPSBENNWBS-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H](C)C1 ZINC000571222326 323138366 /nfs/dbraw/zinc/13/83/66/323138366.db2.gz JXEWARLQVGCITQ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H](C)C1 ZINC000571222326 323138367 /nfs/dbraw/zinc/13/83/67/323138367.db2.gz JXEWARLQVGCITQ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000571222326 323138368 /nfs/dbraw/zinc/13/83/68/323138368.db2.gz JXEWARLQVGCITQ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H](C)C1 ZINC000571222326 323138369 /nfs/dbraw/zinc/13/83/69/323138369.db2.gz JXEWARLQVGCITQ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327356 347211579 /nfs/dbraw/zinc/21/15/79/347211579.db2.gz UFNUGORAJLJHIX-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@H](N)C[C@H]1C ZINC000601329059 347217490 /nfs/dbraw/zinc/21/74/90/347217490.db2.gz DOOPZLGPUJLQQI-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@H](N)C[C@H]1C ZINC000601329059 347217494 /nfs/dbraw/zinc/21/74/94/347217494.db2.gz DOOPZLGPUJLQQI-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601329059 347217499 /nfs/dbraw/zinc/21/74/99/347217499.db2.gz DOOPZLGPUJLQQI-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601329059 347217501 /nfs/dbraw/zinc/21/75/01/347217501.db2.gz DOOPZLGPUJLQQI-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP CCSCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334913 347227026 /nfs/dbraw/zinc/22/70/26/347227026.db2.gz ONRFIUSZZJFEGQ-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP CCSCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334913 347227029 /nfs/dbraw/zinc/22/70/29/347227029.db2.gz ONRFIUSZZJFEGQ-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353533240 187372583 /nfs/dbraw/zinc/37/25/83/187372583.db2.gz XVVNQXDNVQUUJE-REWJHTLYSA-N 2 1 240.391 1.466 20 0 BDADMP CCCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000310120213 347234436 /nfs/dbraw/zinc/23/44/36/347234436.db2.gz DJZWWAJUVDNHDJ-GXTWGEPZSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310120213 347234439 /nfs/dbraw/zinc/23/44/39/347234439.db2.gz DJZWWAJUVDNHDJ-GXTWGEPZSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310120213 347234440 /nfs/dbraw/zinc/23/44/40/347234440.db2.gz DJZWWAJUVDNHDJ-GXTWGEPZSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310120213 347234443 /nfs/dbraw/zinc/23/44/43/347234443.db2.gz DJZWWAJUVDNHDJ-GXTWGEPZSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310120213 347234445 /nfs/dbraw/zinc/23/44/45/347234445.db2.gz DJZWWAJUVDNHDJ-GXTWGEPZSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC2(CO)CC2)CC[N@H+]1C ZINC000395835959 362799482 /nfs/dbraw/zinc/79/94/82/362799482.db2.gz KJXBXTWGJTWWGZ-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)C[N@@H+](C[C@H](O)CN(C)C1CC1)C(C)C ZINC000310500604 347290587 /nfs/dbraw/zinc/29/05/87/347290587.db2.gz MCFMHQQSQVBDMI-CQSZACIVSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[N@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000310500604 347290588 /nfs/dbraw/zinc/29/05/88/347290588.db2.gz MCFMHQQSQVBDMI-CQSZACIVSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000310500604 347290590 /nfs/dbraw/zinc/29/05/90/347290590.db2.gz MCFMHQQSQVBDMI-CQSZACIVSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000310500604 347290591 /nfs/dbraw/zinc/29/05/91/347290591.db2.gz MCFMHQQSQVBDMI-CQSZACIVSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000310500604 347290592 /nfs/dbraw/zinc/29/05/92/347290592.db2.gz MCFMHQQSQVBDMI-CQSZACIVSA-N 2 1 242.407 1.808 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000382837307 347444846 /nfs/dbraw/zinc/44/48/46/347444846.db2.gz PYUYXZDUCSAYOS-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000357066992 187377096 /nfs/dbraw/zinc/37/70/96/187377096.db2.gz DJPRTPOTXOWYHH-GFCCVEGCSA-N 2 1 240.372 1.860 20 0 BDADMP CC[N@@H+](C)CCNC1CC[NH+](CC)CC1 ZINC000054109770 347464771 /nfs/dbraw/zinc/46/47/71/347464771.db2.gz RYWAXTQWZAYABK-UHFFFAOYSA-N 2 1 213.369 1.012 20 0 BDADMP CC(C)C[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357075547 187377354 /nfs/dbraw/zinc/37/73/54/187377354.db2.gz NOJRGZQRAYVRTI-ZDUSSCGKSA-N 2 1 228.380 1.720 20 0 BDADMP CCOC(=O)CC[N@H+](CC(C)(C)[NH3+])C1CC1 ZINC000592430690 347785764 /nfs/dbraw/zinc/78/57/64/347785764.db2.gz AXZVHLCOTAOKOD-UHFFFAOYSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CC[N@@H+](CC(C)(C)[NH3+])C1CC1 ZINC000592430690 347785766 /nfs/dbraw/zinc/78/57/66/347785766.db2.gz AXZVHLCOTAOKOD-UHFFFAOYSA-N 2 1 228.336 1.141 20 0 BDADMP Cc1ccccc1OCC[NH+]1CCC([NH3+])CC1 ZINC000011729493 179310460 /nfs/dbraw/zinc/31/04/60/179310460.db2.gz WQIDNMAYPGLXGN-UHFFFAOYSA-N 2 1 234.343 1.797 20 0 BDADMP Cc1ccccc1[C@@H](C)NC[C@H](O)C[NH+](C)C ZINC000049525894 179321235 /nfs/dbraw/zinc/32/12/35/179321235.db2.gz QYHGCXPTEGKIOF-OLZOCXBDSA-N 2 1 236.359 1.568 20 0 BDADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358248992 179321265 /nfs/dbraw/zinc/32/12/65/179321265.db2.gz JRSXIGRDIZXTQY-HIFRSBDPSA-N 2 1 248.370 1.712 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000383245303 348046851 /nfs/dbraw/zinc/04/68/51/348046851.db2.gz JJQMAZZHHRMRRO-NSHDSACASA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000383245303 348046855 /nfs/dbraw/zinc/04/68/55/348046855.db2.gz JJQMAZZHHRMRRO-NSHDSACASA-N 2 1 248.317 1.076 20 0 BDADMP C[C@H](CSCCF)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000595025622 348172781 /nfs/dbraw/zinc/17/27/81/348172781.db2.gz HUYSEARBPUAEPU-LLVKDONJSA-N 2 1 246.395 1.929 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269699 187393549 /nfs/dbraw/zinc/39/35/49/187393549.db2.gz NZYZBCJCJTUKLD-BETUJISGSA-N 2 1 248.374 1.160 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1C[NH+](C)C[C@H]1C ZINC000336661612 187393088 /nfs/dbraw/zinc/39/30/88/187393088.db2.gz KCLCRAHUDNXKQB-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000336661612 187393090 /nfs/dbraw/zinc/39/30/90/187393090.db2.gz KCLCRAHUDNXKQB-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000336661612 187393092 /nfs/dbraw/zinc/39/30/92/187393092.db2.gz KCLCRAHUDNXKQB-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336661612 187393094 /nfs/dbraw/zinc/39/30/94/187393094.db2.gz KCLCRAHUDNXKQB-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336661612 187393095 /nfs/dbraw/zinc/39/30/95/187393095.db2.gz KCLCRAHUDNXKQB-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000397610207 362896372 /nfs/dbraw/zinc/89/63/72/362896372.db2.gz BTNNGNCRDUSMLR-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC1(C)C ZINC000623496193 362920011 /nfs/dbraw/zinc/92/00/11/362920011.db2.gz MCLOHXQQQAFCBY-JHJVBQTASA-N 2 1 240.391 1.752 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC)C2)CC1 ZINC000597221893 348692715 /nfs/dbraw/zinc/69/27/15/348692715.db2.gz WQGPNEMJNOUCLQ-KLPPZKSPSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccsc2)CC[C@H]1[NH3+] ZINC000251844782 362936807 /nfs/dbraw/zinc/93/68/07/362936807.db2.gz QVXZTAKFVFRTKU-MWLCHTKSSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1[NH3+] ZINC000251844782 362936809 /nfs/dbraw/zinc/93/68/09/362936809.db2.gz QVXZTAKFVFRTKU-MWLCHTKSSA-N 2 1 210.346 1.917 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054243739 323203582 /nfs/dbraw/zinc/20/35/82/323203582.db2.gz UDTXPWJCQGCZNA-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598971869 349069455 /nfs/dbraw/zinc/06/94/55/349069455.db2.gz HNVQZRDHULMOGO-GDLVEWKHSA-N 2 1 246.420 1.216 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598971869 349069460 /nfs/dbraw/zinc/06/94/60/349069460.db2.gz HNVQZRDHULMOGO-GDLVEWKHSA-N 2 1 246.420 1.216 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250603088 349176829 /nfs/dbraw/zinc/17/68/29/349176829.db2.gz KOYWEZJWOHNORG-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250603088 349176831 /nfs/dbraw/zinc/17/68/31/349176831.db2.gz KOYWEZJWOHNORG-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250603088 349176836 /nfs/dbraw/zinc/17/68/36/349176836.db2.gz KOYWEZJWOHNORG-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000250947939 349181107 /nfs/dbraw/zinc/18/11/07/349181107.db2.gz DIEGNJCHXUMNGW-VXGBXAGGSA-N 2 1 249.358 1.710 20 0 BDADMP CSCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386097871 362940587 /nfs/dbraw/zinc/94/05/87/362940587.db2.gz JFJKELYLAVOQFE-ZJUUUORDSA-N 2 1 202.367 1.470 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530211631 323212208 /nfs/dbraw/zinc/21/22/08/323212208.db2.gz NDERHZJFPDWJCU-FRRDWIJNSA-N 2 1 226.364 1.391 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250488064 349171229 /nfs/dbraw/zinc/17/12/29/349171229.db2.gz FLHPXKHEBATCSN-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CCSCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252688223 349210381 /nfs/dbraw/zinc/21/03/81/349210381.db2.gz NOXGUHBDLRKRQG-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252840451 349218662 /nfs/dbraw/zinc/21/86/62/349218662.db2.gz BPFRPQXEPYUVJX-VOAKCMCISA-N 2 1 246.358 1.597 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623528547 362946696 /nfs/dbraw/zinc/94/66/96/362946696.db2.gz SMZPSWIXISAJPH-VXGBXAGGSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CO1 ZINC000402208864 350043924 /nfs/dbraw/zinc/04/39/24/350043924.db2.gz IXEAMSKMEXGYGD-RXGFPQBGSA-N 2 1 226.364 1.482 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000131532785 191016108 /nfs/dbraw/zinc/01/61/08/191016108.db2.gz WIKYGJONFZTGHZ-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000062337151 180144249 /nfs/dbraw/zinc/14/42/49/180144249.db2.gz ZJPGHKKKGLJQLB-SNVBAGLBSA-N 2 1 225.361 1.622 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000062337151 180144251 /nfs/dbraw/zinc/14/42/51/180144251.db2.gz ZJPGHKKKGLJQLB-SNVBAGLBSA-N 2 1 225.361 1.622 20 0 BDADMP Cc1ncccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336450920 180221604 /nfs/dbraw/zinc/22/16/04/180221604.db2.gz QHMGQYNENNZWPT-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ncccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336450920 180221606 /nfs/dbraw/zinc/22/16/06/180221606.db2.gz QHMGQYNENNZWPT-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336450920 180221607 /nfs/dbraw/zinc/22/16/07/180221607.db2.gz QHMGQYNENNZWPT-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336450920 180221609 /nfs/dbraw/zinc/22/16/09/180221609.db2.gz QHMGQYNENNZWPT-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623533452 362951978 /nfs/dbraw/zinc/95/19/78/362951978.db2.gz ALCRVBQAVVFPNV-OLZOCXBDSA-N 2 1 240.391 1.874 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083528257 350237360 /nfs/dbraw/zinc/23/73/60/350237360.db2.gz INDFFHNGVQBPEB-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCOC1 ZINC000161711505 180235827 /nfs/dbraw/zinc/23/58/27/180235827.db2.gz VZDPNKYWXHBHIJ-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCOC1 ZINC000161711505 180235831 /nfs/dbraw/zinc/23/58/31/180235831.db2.gz VZDPNKYWXHBHIJ-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC[C@H](C)O ZINC000336669895 180237136 /nfs/dbraw/zinc/23/71/36/180237136.db2.gz ATFMQSUBIVLOLJ-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC[C@H](C)O ZINC000336669895 180237140 /nfs/dbraw/zinc/23/71/40/180237140.db2.gz ATFMQSUBIVLOLJ-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623533451 362952125 /nfs/dbraw/zinc/95/21/25/362952125.db2.gz ALCRVBQAVVFPNV-CHWSQXEVSA-N 2 1 240.391 1.874 20 0 BDADMP CSCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422749922 192452213 /nfs/dbraw/zinc/45/22/13/192452213.db2.gz BMGHLKGCOATEHF-UWVGGRQHSA-N 2 1 202.367 1.327 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCSC1 ZINC000309091037 180246510 /nfs/dbraw/zinc/24/65/10/180246510.db2.gz CEBKMTPKOKCGQD-LLVKDONJSA-N 2 1 225.361 1.677 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364316361 180242618 /nfs/dbraw/zinc/24/26/18/180242618.db2.gz LPRQMNORRJQLQQ-GFCCVEGCSA-N 2 1 235.331 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364316361 180242620 /nfs/dbraw/zinc/24/26/20/180242620.db2.gz LPRQMNORRJQLQQ-GFCCVEGCSA-N 2 1 235.331 1.038 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000252177487 538085991 /nfs/dbraw/zinc/08/59/91/538085991.db2.gz SHHXUIADCBGTDB-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000252177487 538085999 /nfs/dbraw/zinc/08/59/99/538085999.db2.gz SHHXUIADCBGTDB-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000252177487 538086000 /nfs/dbraw/zinc/08/60/00/538086000.db2.gz SHHXUIADCBGTDB-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000252177487 538086002 /nfs/dbraw/zinc/08/60/02/538086002.db2.gz SHHXUIADCBGTDB-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CCSC1 ZINC000226377364 180260398 /nfs/dbraw/zinc/26/03/98/180260398.db2.gz FHNUMQOYUFDSGH-LLVKDONJSA-N 2 1 225.361 1.534 20 0 BDADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000325109075 350313792 /nfs/dbraw/zinc/31/37/92/350313792.db2.gz YWDTZKXAJAQAPG-KBPBESRZSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1[nH+]cn(CCC2CC[NH2+]CC2)c1C ZINC000051927566 180284665 /nfs/dbraw/zinc/28/46/65/180284665.db2.gz MDJGDTZLTHDAIP-UHFFFAOYSA-N 2 1 207.321 1.890 20 0 BDADMP CC[NH+]1CCC(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC000037982106 350294753 /nfs/dbraw/zinc/29/47/53/350294753.db2.gz VEFPTUMWJIWFNY-UHFFFAOYSA-N 2 1 234.347 1.990 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000427888945 191099859 /nfs/dbraw/zinc/09/98/59/191099859.db2.gz ZBRHOTVRXYRTCK-AGIUHOORSA-N 2 1 248.374 1.270 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)CC[N@H+]1C ZINC000427888945 191099861 /nfs/dbraw/zinc/09/98/61/191099861.db2.gz ZBRHOTVRXYRTCK-AGIUHOORSA-N 2 1 248.374 1.270 20 0 BDADMP CC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)COC1 ZINC000070616971 350550299 /nfs/dbraw/zinc/55/02/99/350550299.db2.gz QXCMVNUMKBSSFF-LLVKDONJSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000220536329 490608244 /nfs/dbraw/zinc/60/82/44/490608244.db2.gz PGXFIZRRFVFRKY-GXSJLCMTSA-N 2 1 214.378 1.564 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336158640 535150865 /nfs/dbraw/zinc/15/08/65/535150865.db2.gz IHTCSNPKXRIEML-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336158640 535150867 /nfs/dbraw/zinc/15/08/67/535150867.db2.gz IHTCSNPKXRIEML-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336158640 535150872 /nfs/dbraw/zinc/15/08/72/535150872.db2.gz IHTCSNPKXRIEML-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CO1 ZINC000623558885 362980795 /nfs/dbraw/zinc/98/07/95/362980795.db2.gz MDFHKLQHUSSYIB-IJLUTSLNSA-N 2 1 226.364 1.626 20 0 BDADMP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1F ZINC000385166824 350777026 /nfs/dbraw/zinc/77/70/26/350777026.db2.gz LVLOFZYWDUMKGE-UHFFFAOYSA-N 2 1 238.306 1.756 20 0 BDADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1F ZINC000385166824 350777032 /nfs/dbraw/zinc/77/70/32/350777032.db2.gz LVLOFZYWDUMKGE-UHFFFAOYSA-N 2 1 238.306 1.756 20 0 BDADMP CCc1ncc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000623085820 350843170 /nfs/dbraw/zinc/84/31/70/350843170.db2.gz GUJYJMRPJDYPLO-UHFFFAOYSA-N 2 1 245.330 1.105 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000300900130 191129219 /nfs/dbraw/zinc/12/92/19/191129219.db2.gz VZKYISKZYHTMRK-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCOC1 ZINC000111319033 187491291 /nfs/dbraw/zinc/49/12/91/187491291.db2.gz ICLUQDZNYPWMJB-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCOC1 ZINC000111319033 187491293 /nfs/dbraw/zinc/49/12/93/187491293.db2.gz ICLUQDZNYPWMJB-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@@](C)(C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CC1 ZINC000638089001 351967761 /nfs/dbraw/zinc/96/77/61/351967761.db2.gz JKXHXRIKTIZRCH-YUTCNCBUSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@@](C)(C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CC1 ZINC000638089001 351967763 /nfs/dbraw/zinc/96/77/63/351967763.db2.gz JKXHXRIKTIZRCH-YUTCNCBUSA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000638123621 351996597 /nfs/dbraw/zinc/99/65/97/351996597.db2.gz RAKLQKVZCPBHIB-SDDRHHMPSA-N 2 1 241.379 1.055 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(=O)[nH]c2)C1 ZINC000638131964 352001708 /nfs/dbraw/zinc/00/17/08/352001708.db2.gz FFLARHYDPZMPPC-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000638131964 352001711 /nfs/dbraw/zinc/00/17/11/352001711.db2.gz FFLARHYDPZMPPC-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000638131964 352001714 /nfs/dbraw/zinc/00/17/14/352001714.db2.gz FFLARHYDPZMPPC-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638131964 352001716 /nfs/dbraw/zinc/00/17/16/352001716.db2.gz FFLARHYDPZMPPC-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638131964 352001719 /nfs/dbraw/zinc/00/17/19/352001719.db2.gz FFLARHYDPZMPPC-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP CN(C)c1cc(NC(=O)C2=CC[C@H]([NH3+])C2)cc[nH+]1 ZINC000638134344 352002893 /nfs/dbraw/zinc/00/28/93/352002893.db2.gz OJPYXFBMTYFRGV-JTQLQIEISA-N 2 1 246.314 1.134 20 0 BDADMP CCc1nc(N2CC[C@@H](C[NH+](C)C)C2)cc(C)[nH+]1 ZINC000287442618 352126244 /nfs/dbraw/zinc/12/62/44/352126244.db2.gz RFAKLFQWXVKNCI-LBPRGKRZSA-N 2 1 248.374 1.735 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638304157 352133601 /nfs/dbraw/zinc/13/36/01/352133601.db2.gz MAYRFHXJJPIKDG-WCBMZHEXSA-N 2 1 218.291 1.714 20 0 BDADMP CC[C@H](C[NH2+]C[C@H](OC)C1CC1)[NH+]1CCCC1 ZINC000638354900 352169216 /nfs/dbraw/zinc/16/92/16/352169216.db2.gz XVEXITDOYPQQHE-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638381001 352190929 /nfs/dbraw/zinc/19/09/29/352190929.db2.gz HCINXGGAFNTFPG-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)C[C@@H]1CCO1 ZINC000638322155 352144615 /nfs/dbraw/zinc/14/46/15/352144615.db2.gz VPDOSFIPTLOZEL-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP CCC[NH2+]CCNc1cc(C)[nH+]c(CC)n1 ZINC000261562642 535173519 /nfs/dbraw/zinc/17/35/19/535173519.db2.gz BLSQZQUTASEBBS-UHFFFAOYSA-N 2 1 222.336 1.759 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CC(n2cccn2)C1 ZINC000638462434 352272959 /nfs/dbraw/zinc/27/29/59/352272959.db2.gz MUEUQNGZOHXGAK-UHFFFAOYSA-N 2 1 245.330 1.381 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CCC[C@@H]1CCO1 ZINC000638503263 352325808 /nfs/dbraw/zinc/32/58/08/352325808.db2.gz GWEDIPGNTOZLMW-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CCC[C@@H]1CCO1 ZINC000638503263 352325809 /nfs/dbraw/zinc/32/58/09/352325809.db2.gz GWEDIPGNTOZLMW-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000638565539 352390678 /nfs/dbraw/zinc/39/06/78/352390678.db2.gz PKTVVJIYOGXWPD-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP Cc1cnc(C[NH2+]CCC2CC[NH+](C)CC2)o1 ZINC000638566889 352393925 /nfs/dbraw/zinc/39/39/25/352393925.db2.gz QSFYJBGXRYMTCK-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000638707690 352544088 /nfs/dbraw/zinc/54/40/88/352544088.db2.gz KGLFZJSXXZGMOU-AHPWVWPOSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000380172643 352558518 /nfs/dbraw/zinc/55/85/18/352558518.db2.gz DUQNWNUTORGVJR-RHYQMDGZSA-N 2 1 214.353 1.076 20 0 BDADMP CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415013985 352550449 /nfs/dbraw/zinc/55/04/49/352550449.db2.gz WDJJWKZCGGWQHL-GHMZBOCLSA-N 2 1 222.332 1.911 20 0 BDADMP C[N@@H+](CCc1ccncc1)C[C@H]1CCC[NH2+]C1 ZINC000041261880 352605867 /nfs/dbraw/zinc/60/58/67/352605867.db2.gz BVAKBFHEZGCWMT-AWEZNQCLSA-N 2 1 233.359 1.556 20 0 BDADMP C[C@@H]1C[C@@H](N2CC([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000307556031 352648092 /nfs/dbraw/zinc/64/80/92/352648092.db2.gz YQIAMNNJLARDCH-IUODEOHRSA-N 2 1 245.370 1.292 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CSC2)CC[N@@H+]1C ZINC000307677793 352755063 /nfs/dbraw/zinc/75/50/63/352755063.db2.gz MLDNZPWJOGVGTH-BDAKNGLRSA-N 2 1 200.351 1.174 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CSC2)CC[N@H+]1C ZINC000307677793 352755065 /nfs/dbraw/zinc/75/50/65/352755065.db2.gz MLDNZPWJOGVGTH-BDAKNGLRSA-N 2 1 200.351 1.174 20 0 BDADMP Cc1nocc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334349944 352981325 /nfs/dbraw/zinc/98/13/25/352981325.db2.gz FFVAJRKEXDRULV-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000334349944 352981326 /nfs/dbraw/zinc/98/13/26/352981326.db2.gz FFVAJRKEXDRULV-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334349944 352981329 /nfs/dbraw/zinc/98/13/29/352981329.db2.gz FFVAJRKEXDRULV-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334349944 352981330 /nfs/dbraw/zinc/98/13/30/352981330.db2.gz FFVAJRKEXDRULV-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC[C@@H]3CCO3)[C@H]2C1 ZINC000638917217 353081311 /nfs/dbraw/zinc/08/13/11/353081311.db2.gz CTUAHXPXEFCCEE-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC[C@@H]3CCO3)[C@H]2C1 ZINC000638917217 353081312 /nfs/dbraw/zinc/08/13/12/353081312.db2.gz CTUAHXPXEFCCEE-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC[C@@H]3CCO3)[C@H]2C1 ZINC000638917217 353081314 /nfs/dbraw/zinc/08/13/14/353081314.db2.gz CTUAHXPXEFCCEE-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC[C@@H]3CCO3)[C@H]2C1 ZINC000638917217 353081315 /nfs/dbraw/zinc/08/13/15/353081315.db2.gz CTUAHXPXEFCCEE-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@H]2CCN(C)C[C@H]21)OC ZINC000638918769 353083088 /nfs/dbraw/zinc/08/30/88/353083088.db2.gz TWFGPDYOHGTXES-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261978172 535199501 /nfs/dbraw/zinc/19/95/01/535199501.db2.gz RBMURRHPGLKTIB-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368319090 188072913 /nfs/dbraw/zinc/07/29/13/188072913.db2.gz VGKIIYJEGIYWSX-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368319090 188072915 /nfs/dbraw/zinc/07/29/15/188072915.db2.gz VGKIIYJEGIYWSX-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)COCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368319090 188072916 /nfs/dbraw/zinc/07/29/16/188072916.db2.gz VGKIIYJEGIYWSX-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)COCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368319090 188072918 /nfs/dbraw/zinc/07/29/18/188072918.db2.gz VGKIIYJEGIYWSX-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC2(C1)CCOCC2 ZINC000302636361 188074779 /nfs/dbraw/zinc/07/47/79/188074779.db2.gz DYDVKZODAYQPBB-CYBMUJFWSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356900694 188084948 /nfs/dbraw/zinc/08/49/48/188084948.db2.gz OZLHDYOOAOCCHS-AAEUAGOBSA-N 2 1 237.347 1.596 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000250491745 188086846 /nfs/dbraw/zinc/08/68/46/188086846.db2.gz HHPAYLYTWCEPQT-NWDGAFQWSA-N 2 1 213.369 1.044 20 0 BDADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000042543889 188120697 /nfs/dbraw/zinc/12/06/97/188120697.db2.gz OXWLCVCIUZGFFF-CYBMUJFWSA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000042543889 188120698 /nfs/dbraw/zinc/12/06/98/188120698.db2.gz OXWLCVCIUZGFFF-CYBMUJFWSA-N 2 1 225.380 1.153 20 0 BDADMP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107576627 188151733 /nfs/dbraw/zinc/15/17/33/188151733.db2.gz VEMAWGUTPASWMD-CHWSQXEVSA-N 2 1 232.327 1.346 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)COCC1 ZINC000336596082 188162569 /nfs/dbraw/zinc/16/25/69/188162569.db2.gz AENXCVRYCUGLAC-ZIAGYGMSSA-N 2 1 236.359 1.550 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)COCC1 ZINC000336596082 188162571 /nfs/dbraw/zinc/16/25/71/188162571.db2.gz AENXCVRYCUGLAC-ZIAGYGMSSA-N 2 1 236.359 1.550 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000134542639 538112949 /nfs/dbraw/zinc/11/29/49/538112949.db2.gz QXIGSJPPNRRUSK-SECBINFHSA-N 2 1 210.325 1.320 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000125289241 188190766 /nfs/dbraw/zinc/19/07/66/188190766.db2.gz GVAXNYAVRNFRIV-NEPJUHHUSA-N 2 1 214.353 1.484 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000043427978 188216832 /nfs/dbraw/zinc/21/68/32/188216832.db2.gz NSKJYGFQPCMRSK-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000054110890 188220097 /nfs/dbraw/zinc/22/00/97/188220097.db2.gz IHZXQUTVLISJTA-UHFFFAOYSA-N 2 1 249.358 1.215 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251715831 353286871 /nfs/dbraw/zinc/28/68/71/353286871.db2.gz JQRRWFTWLBWDHW-GXFFZTMASA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251715831 353286873 /nfs/dbraw/zinc/28/68/73/353286873.db2.gz JQRRWFTWLBWDHW-GXFFZTMASA-N 2 1 222.307 1.995 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000094087444 188223244 /nfs/dbraw/zinc/22/32/44/188223244.db2.gz WOPNCVYECZVOPC-DGCLKSJQSA-N 2 1 234.343 1.578 20 0 BDADMP FCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000373024618 180933225 /nfs/dbraw/zinc/93/32/25/180933225.db2.gz XLBIGGBETYBLEK-UHFFFAOYSA-N 2 1 214.328 1.953 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)C[C@H]1CCC[NH2+]C1 ZINC000252577828 353299853 /nfs/dbraw/zinc/29/98/53/353299853.db2.gz JTFKXJLLIMVYTB-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000085282068 538115913 /nfs/dbraw/zinc/11/59/13/538115913.db2.gz ZRJXRIQCPTXJSQ-QWRGUYRKSA-N 2 1 208.330 1.399 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)CCCOC)CC1 ZINC000336775694 353444447 /nfs/dbraw/zinc/44/44/47/353444447.db2.gz ZROIFJXNLVASIF-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000577952178 366135408 /nfs/dbraw/zinc/13/54/08/366135408.db2.gz WKULRUBVBHHCHL-JTQLQIEISA-N 2 1 232.287 1.605 20 0 BDADMP CCC[C@H](C[N@@H+](C)CCC[NH+](C)C)OC ZINC000639168419 354073603 /nfs/dbraw/zinc/07/36/03/354073603.db2.gz UCFIMRHCVWTYRG-GFCCVEGCSA-N 2 1 216.369 1.685 20 0 BDADMP CCN1C[C@H]([NH2+]CCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000343903129 354054728 /nfs/dbraw/zinc/05/47/28/354054728.db2.gz CTYMQQVIAZPEKP-AAEUAGOBSA-N 2 1 236.363 1.121 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC[NH+](C)C1CCCC1 ZINC000344226792 354183967 /nfs/dbraw/zinc/18/39/67/354183967.db2.gz DMGVHZJJLBEOPF-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000344226792 354183969 /nfs/dbraw/zinc/18/39/69/354183969.db2.gz DMGVHZJJLBEOPF-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000344226792 354183970 /nfs/dbraw/zinc/18/39/70/354183970.db2.gz DMGVHZJJLBEOPF-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344300750 354211996 /nfs/dbraw/zinc/21/19/96/354211996.db2.gz QFZFJODDUSWQPU-CQSZACIVSA-N 2 1 240.391 1.899 20 0 BDADMP C[C@@H]([NH3+])C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000334598693 354233726 /nfs/dbraw/zinc/23/37/26/354233726.db2.gz XIDAWGTWFTTZHA-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000334614850 354300118 /nfs/dbraw/zinc/30/01/18/354300118.db2.gz GWBQZLSHQXNCRQ-CHWSQXEVSA-N 2 1 220.316 1.752 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000344763282 354355824 /nfs/dbraw/zinc/35/58/24/354355824.db2.gz UEYAUDCDPOYPEM-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000344763282 354355826 /nfs/dbraw/zinc/35/58/26/354355826.db2.gz UEYAUDCDPOYPEM-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP Cc1nc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cs1 ZINC000334646502 354436547 /nfs/dbraw/zinc/43/65/47/354436547.db2.gz JBCNVWVQBYSDRN-VIFPVBQESA-N 2 1 248.355 1.822 20 0 BDADMP COCC[N@H+](CCn1cc[nH+]c1C)CC(C)C ZINC000346390507 354907556 /nfs/dbraw/zinc/90/75/56/354907556.db2.gz ZDCNDPHLXFOMKH-UHFFFAOYSA-N 2 1 239.363 1.796 20 0 BDADMP COCC[N@@H+](CCn1cc[nH+]c1C)CC(C)C ZINC000346390507 354907557 /nfs/dbraw/zinc/90/75/57/354907557.db2.gz ZDCNDPHLXFOMKH-UHFFFAOYSA-N 2 1 239.363 1.796 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000346412221 354915965 /nfs/dbraw/zinc/91/59/65/354915965.db2.gz LMNUBSFGGDYXCI-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000346412221 354915967 /nfs/dbraw/zinc/91/59/67/354915967.db2.gz LMNUBSFGGDYXCI-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP c1ccc2c(c1)CCC([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000335177623 354947668 /nfs/dbraw/zinc/94/76/68/354947668.db2.gz JMWOTZMVWYJKKX-HNNXBMFYSA-N 2 1 230.355 1.886 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000422835065 192484516 /nfs/dbraw/zinc/48/45/16/192484516.db2.gz IDNFIFLIHBOZFS-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530224210 324543750 /nfs/dbraw/zinc/54/37/50/324543750.db2.gz VMAYWVMZGQEPOK-GMTAPVOTSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[NH2+]CC1 ZINC000346651334 355018907 /nfs/dbraw/zinc/01/89/07/355018907.db2.gz ODMMZDHSXRAASN-ZDUSSCGKSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCSCC1 ZINC000335182213 355079594 /nfs/dbraw/zinc/07/95/94/355079594.db2.gz SIYPWAIAHXERSC-ZYHUDNBSSA-N 2 1 228.405 1.860 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000346786426 355116898 /nfs/dbraw/zinc/11/68/98/355116898.db2.gz DZPDGHPZAFPQCG-GXTWGEPZSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000346891048 355145848 /nfs/dbraw/zinc/14/58/48/355145848.db2.gz VWPBGUGLHCPDEL-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346971036 355207496 /nfs/dbraw/zinc/20/74/96/355207496.db2.gz GUNLGCTXJYUUOD-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000346973903 355209227 /nfs/dbraw/zinc/20/92/27/355209227.db2.gz IMHYYNQKJWRSLO-NWDGAFQWSA-N 2 1 227.396 1.386 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346996101 355194800 /nfs/dbraw/zinc/19/48/00/355194800.db2.gz WJDWGJLQAHVVMS-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000347005401 355201815 /nfs/dbraw/zinc/20/18/15/355201815.db2.gz PFIXQZHRGQTQTN-ZIAGYGMSSA-N 2 1 239.407 1.260 20 0 BDADMP CC[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000412975271 191346403 /nfs/dbraw/zinc/34/64/03/191346403.db2.gz FAUBFMJPSGBORE-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000412975271 191346406 /nfs/dbraw/zinc/34/64/06/191346406.db2.gz FAUBFMJPSGBORE-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000412975577 191347188 /nfs/dbraw/zinc/34/71/88/191347188.db2.gz FYNJLTRXOKFZAH-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000412975577 191347191 /nfs/dbraw/zinc/34/71/91/191347191.db2.gz FYNJLTRXOKFZAH-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1cnc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000639257507 355302692 /nfs/dbraw/zinc/30/26/92/355302692.db2.gz OFXZDOXNEXRHBD-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP Cc1cnc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000639257507 355302696 /nfs/dbraw/zinc/30/26/96/355302696.db2.gz OFXZDOXNEXRHBD-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000414176989 191453752 /nfs/dbraw/zinc/45/37/52/191453752.db2.gz IQLNSFNCARFFNK-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP Fc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000335777948 355403891 /nfs/dbraw/zinc/40/38/91/355403891.db2.gz UBXPFQBBAWYKAU-TZMCWYRMSA-N 2 1 249.333 1.937 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000350183720 355622111 /nfs/dbraw/zinc/62/21/11/355622111.db2.gz IYXCDUBGZCVNON-UHFFFAOYSA-N 2 1 222.336 1.183 20 0 BDADMP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000639358393 355813160 /nfs/dbraw/zinc/81/31/60/355813160.db2.gz KEQCIVVUDMJREA-UHFFFAOYSA-N 2 1 246.370 1.559 20 0 BDADMP CN(C)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000608492893 355818512 /nfs/dbraw/zinc/81/85/12/355818512.db2.gz IPSHINKFRIVQSG-OKILXGFUSA-N 2 1 245.370 1.404 20 0 BDADMP C[C@@H]1CN(c2ncnc3[nH]ccc32)[C@@H](C)C[N@H+]1C ZINC000351505830 356004845 /nfs/dbraw/zinc/00/48/45/356004845.db2.gz PYXKRKGXHVEZKX-ZJUUUORDSA-N 2 1 245.330 1.487 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC2(CC2)C1)C1CC1 ZINC000351591820 356024475 /nfs/dbraw/zinc/02/44/75/356024475.db2.gz HPZRDIHVPJBKEC-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC2(CC2)C1)C1CC1 ZINC000351591820 356024481 /nfs/dbraw/zinc/02/44/81/356024481.db2.gz HPZRDIHVPJBKEC-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC2(CC2)C1)C1CC1 ZINC000351591820 356024485 /nfs/dbraw/zinc/02/44/85/356024485.db2.gz HPZRDIHVPJBKEC-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCCC2(CC2)C1)C1CC1 ZINC000351591820 356024489 /nfs/dbraw/zinc/02/44/89/356024489.db2.gz HPZRDIHVPJBKEC-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@H]1[NH2+]CCN(CCC2CC[NH2+]CC2)[C@H]1C ZINC000336079457 134074075 /nfs/dbraw/zinc/07/40/75/134074075.db2.gz KNKFFXWEJKGFQW-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000420265436 192192364 /nfs/dbraw/zinc/19/23/64/192192364.db2.gz QBKNFFVLCLSVAT-BDAKNGLRSA-N 2 1 235.335 1.446 20 0 BDADMP C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)[C@H](C)[NH3+] ZINC000420265438 192193329 /nfs/dbraw/zinc/19/33/29/192193329.db2.gz QBKNFFVLCLSVAT-DTWKUNHWSA-N 2 1 235.335 1.446 20 0 BDADMP CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CCC[NH2+]1 ZINC000333249515 356271324 /nfs/dbraw/zinc/27/13/24/356271324.db2.gz GMTPWDXOUCSQDO-XQQFMLRXSA-N 2 1 248.374 1.387 20 0 BDADMP CN(CCc1cnccn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000639496083 356322419 /nfs/dbraw/zinc/32/24/19/356322419.db2.gz UOXXKWFWFQWXLX-CYBMUJFWSA-N 2 1 248.374 1.293 20 0 BDADMP C[N@H+](CCc1cnccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000639496083 356322420 /nfs/dbraw/zinc/32/24/20/356322420.db2.gz UOXXKWFWFQWXLX-CYBMUJFWSA-N 2 1 248.374 1.293 20 0 BDADMP C[N@@H+](CCc1cnccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000639496083 356322422 /nfs/dbraw/zinc/32/24/22/356322422.db2.gz UOXXKWFWFQWXLX-CYBMUJFWSA-N 2 1 248.374 1.293 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000420292336 192204053 /nfs/dbraw/zinc/20/40/53/192204053.db2.gz PHWUMXBWAPFOJU-LLVKDONJSA-N 2 1 228.336 1.143 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000420292336 192204054 /nfs/dbraw/zinc/20/40/54/192204054.db2.gz PHWUMXBWAPFOJU-LLVKDONJSA-N 2 1 228.336 1.143 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC000420296578 192205049 /nfs/dbraw/zinc/20/50/49/192205049.db2.gz XECOAXZLWGOOGE-STQMWFEESA-N 2 1 226.364 1.663 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420296755 192205316 /nfs/dbraw/zinc/20/53/16/192205316.db2.gz DTXVRDSDKZBVRV-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000420318795 192195479 /nfs/dbraw/zinc/19/54/79/192195479.db2.gz OQDNBXOBOQWVEQ-CYBMUJFWSA-N 3 1 239.407 1.450 20 0 BDADMP CCC[N@H+](CC[C@H]1CC[NH2+]C1)C1CCNCC1 ZINC000420318795 192195482 /nfs/dbraw/zinc/19/54/82/192195482.db2.gz OQDNBXOBOQWVEQ-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCNCC1 ZINC000420318795 192195485 /nfs/dbraw/zinc/19/54/85/192195485.db2.gz OQDNBXOBOQWVEQ-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420319856 192196156 /nfs/dbraw/zinc/19/61/56/192196156.db2.gz PRZWTTDTDRIATC-OCCSQVGLSA-N 2 1 248.374 1.936 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420273941 192197417 /nfs/dbraw/zinc/19/74/17/192197417.db2.gz NZNLRDGYJRINIU-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H]1CN ZINC000420289708 192201568 /nfs/dbraw/zinc/20/15/68/192201568.db2.gz KWGIPFUXGGLORH-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)[C@H]1C[NH3+] ZINC000420289708 192201570 /nfs/dbraw/zinc/20/15/70/192201570.db2.gz KWGIPFUXGGLORH-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294093 192203153 /nfs/dbraw/zinc/20/31/53/192203153.db2.gz SJAVCXBYSONOMI-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294093 192203155 /nfs/dbraw/zinc/20/31/55/192203155.db2.gz SJAVCXBYSONOMI-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338920 192215711 /nfs/dbraw/zinc/21/57/11/192215711.db2.gz YHANMGKEPJOHEE-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420352966 192217498 /nfs/dbraw/zinc/21/74/98/192217498.db2.gz BBTOOKVTCUODAA-GFCCVEGCSA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420305233 192208346 /nfs/dbraw/zinc/20/83/46/192208346.db2.gz PEPSHRYMUBDABT-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP NCC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420304017 192208414 /nfs/dbraw/zinc/20/84/14/192208414.db2.gz IHVZZSHFMAYEBT-CQSZACIVSA-N 2 1 247.386 1.447 20 0 BDADMP NCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420304017 192208416 /nfs/dbraw/zinc/20/84/16/192208416.db2.gz IHVZZSHFMAYEBT-CQSZACIVSA-N 2 1 247.386 1.447 20 0 BDADMP c1cnn([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000420316177 192212146 /nfs/dbraw/zinc/21/21/46/192212146.db2.gz LLADMKJTPKRDFY-ZIAGYGMSSA-N 2 1 248.374 1.520 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000420317193 192212661 /nfs/dbraw/zinc/21/26/61/192212661.db2.gz MQIBHKWUPDXOKB-GXTWGEPZSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[NH3+])CC1 ZINC000420366498 192225892 /nfs/dbraw/zinc/22/58/92/192225892.db2.gz FWUIOVLJAOVTEG-NSHDSACASA-N 2 1 239.388 1.385 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000420367283 192226427 /nfs/dbraw/zinc/22/64/27/192226427.db2.gz VIIJQURMRCMNSY-AWEZNQCLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1C ZINC000420355361 192220595 /nfs/dbraw/zinc/22/05/95/192220595.db2.gz FJKTUBMIPYNYQN-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CN1C ZINC000420355356 192220750 /nfs/dbraw/zinc/22/07/50/192220750.db2.gz FJKTUBMIPYNYQN-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420359976 192221506 /nfs/dbraw/zinc/22/15/06/192221506.db2.gz LITUJIATPWDDOS-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CC1(C)C[N@@H+](CCOCC[NH3+])Cc2ccccc21 ZINC000420360202 192221578 /nfs/dbraw/zinc/22/15/78/192221578.db2.gz LLOWSIDPWZGQQJ-UHFFFAOYSA-N 2 1 248.370 1.755 20 0 BDADMP COCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420367365 192225393 /nfs/dbraw/zinc/22/53/93/192225393.db2.gz KAMLMWWXIDMMQF-CQSZACIVSA-N 2 1 240.391 1.879 20 0 BDADMP CC[N@H+]1CCN(CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000352676906 356401807 /nfs/dbraw/zinc/40/18/07/356401807.db2.gz VCQHGEUDAOXYIC-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000352676906 356401810 /nfs/dbraw/zinc/40/18/10/356401810.db2.gz VCQHGEUDAOXYIC-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000352676906 356401813 /nfs/dbraw/zinc/40/18/13/356401813.db2.gz VCQHGEUDAOXYIC-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CCOCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420376582 192231614 /nfs/dbraw/zinc/23/16/14/192231614.db2.gz VFIPFWLZOBPTQA-SDDRHHMPSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCc1ccncc1 ZINC000420380633 192233186 /nfs/dbraw/zinc/23/31/86/192233186.db2.gz YLMPGTJOIVLUHJ-IPYPFGDCSA-N 2 1 247.386 1.990 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCc1ccncc1 ZINC000420380638 192233382 /nfs/dbraw/zinc/23/33/82/192233382.db2.gz YLMPGTJOIVLUHJ-VNHYZAJKSA-N 2 1 247.386 1.990 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192857493 356465197 /nfs/dbraw/zinc/46/51/97/356465197.db2.gz AXQYLDDBVQWUAS-GSPSYOTPSA-N 2 1 240.391 1.608 20 0 BDADMP CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+]1C ZINC000420995712 192294820 /nfs/dbraw/zinc/29/48/20/192294820.db2.gz DWUJIIIQMQCYJZ-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@H]1OCC[C@]1(C)[NH2+]CCc1c[nH+]cn1C ZINC000639633763 356547257 /nfs/dbraw/zinc/54/72/57/356547257.db2.gz QYIZSPVOFIIYRX-PWSUYJOCSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000421020962 192305957 /nfs/dbraw/zinc/30/59/57/192305957.db2.gz NTVMWDWRGOHVIW-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000421020962 192305959 /nfs/dbraw/zinc/30/59/59/192305959.db2.gz NTVMWDWRGOHVIW-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000421020962 192305960 /nfs/dbraw/zinc/30/59/60/192305960.db2.gz NTVMWDWRGOHVIW-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421027786 192309187 /nfs/dbraw/zinc/30/91/87/192309187.db2.gz UEGOSSPUACIRJT-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421027786 192309189 /nfs/dbraw/zinc/30/91/89/192309189.db2.gz UEGOSSPUACIRJT-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]([NH2+]Cc1ccccc1N(C)C)C1C[NH2+]C1 ZINC000422910770 192502237 /nfs/dbraw/zinc/50/22/37/192502237.db2.gz JCXMIXUEHJWIJG-NSHDSACASA-N 2 1 233.359 1.450 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422916086 192503681 /nfs/dbraw/zinc/50/36/81/192503681.db2.gz ZXOBAOISZZZYAU-OLZOCXBDSA-N 2 1 236.363 1.653 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000639653424 356564540 /nfs/dbraw/zinc/56/45/40/356564540.db2.gz AGXORNPDHZCSTQ-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000639653424 356564543 /nfs/dbraw/zinc/56/45/43/356564543.db2.gz AGXORNPDHZCSTQ-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000639653424 356564546 /nfs/dbraw/zinc/56/45/46/356564546.db2.gz AGXORNPDHZCSTQ-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704327 356610364 /nfs/dbraw/zinc/61/03/64/356610364.db2.gz QQLZEWFWIFBUSB-CYBMUJFWSA-N 2 1 249.358 1.222 20 0 BDADMP CCOc1ncccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422966673 192529558 /nfs/dbraw/zinc/52/95/58/192529558.db2.gz RRAIWFVECDYXPV-MNOVXSKESA-N 2 1 237.347 1.696 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000423059447 192554075 /nfs/dbraw/zinc/55/40/75/192554075.db2.gz LROBXBFALURHHI-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP Cn1cnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639755418 356658550 /nfs/dbraw/zinc/65/85/50/356658550.db2.gz KJPJNOOKLKRPNK-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP Cn1nccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758758 356670106 /nfs/dbraw/zinc/67/01/06/356670106.db2.gz VUEVJWHJIUJXMR-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ccno2)C[C@@H]1C[NH3+] ZINC000167652241 134153380 /nfs/dbraw/zinc/15/33/80/134153380.db2.gz YPJDZODBYQTTKY-ZJUUUORDSA-N 2 1 209.293 1.091 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccno2)C[C@@H]1C[NH3+] ZINC000167652241 134153381 /nfs/dbraw/zinc/15/33/81/134153381.db2.gz YPJDZODBYQTTKY-ZJUUUORDSA-N 2 1 209.293 1.091 20 0 BDADMP CC(C)CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764800 356692160 /nfs/dbraw/zinc/69/21/60/356692160.db2.gz XJCDYUCDIFASMZ-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000383698769 538664702 /nfs/dbraw/zinc/66/47/02/538664702.db2.gz VGLADBNNUUTJCX-UONOGXRCSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000383698769 538664707 /nfs/dbraw/zinc/66/47/07/538664707.db2.gz VGLADBNNUUTJCX-UONOGXRCSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000383698769 538664715 /nfs/dbraw/zinc/66/47/15/538664715.db2.gz VGLADBNNUUTJCX-UONOGXRCSA-N 2 1 242.407 1.952 20 0 BDADMP C([NH2+][C@@H]1CCCOC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070013467 491103080 /nfs/dbraw/zinc/10/30/80/491103080.db2.gz FUMLCSKGSILTDK-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623356427 356792594 /nfs/dbraw/zinc/79/25/94/356792594.db2.gz OQUZPUPUKQLBAR-GFCCVEGCSA-N 2 1 236.363 1.681 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356427 356792599 /nfs/dbraw/zinc/79/25/99/356792599.db2.gz OQUZPUPUKQLBAR-GFCCVEGCSA-N 2 1 236.363 1.681 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000450473483 202178183 /nfs/dbraw/zinc/17/81/83/202178183.db2.gz ZRBSQVABUVQKLN-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CCOCC2)CC1(C)C ZINC000623363518 356813353 /nfs/dbraw/zinc/81/33/53/356813353.db2.gz ZMOJVRLSYJXPLC-LBPRGKRZSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)CC1(C)C ZINC000623370372 356872442 /nfs/dbraw/zinc/87/24/42/356872442.db2.gz HXGSVGPRCZXYGR-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C)CC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000166248065 538710052 /nfs/dbraw/zinc/71/00/52/538710052.db2.gz OXSLMKLYCHJKKN-GRYCIOLGSA-N 2 1 224.348 1.095 20 0 BDADMP CC1(C)[C@@H](O)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000361402228 356929715 /nfs/dbraw/zinc/92/97/15/356929715.db2.gz HGDHDCQOHASCDD-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cncn1C ZINC000353568423 538750136 /nfs/dbraw/zinc/75/01/36/538750136.db2.gz JACIKUCDJGBYSH-NQBHXWOUSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cncn1C ZINC000353568423 538750138 /nfs/dbraw/zinc/75/01/38/538750138.db2.gz JACIKUCDJGBYSH-NQBHXWOUSA-N 2 1 236.363 1.238 20 0 BDADMP Cc1cnc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000582295542 357028876 /nfs/dbraw/zinc/02/88/76/357028876.db2.gz WXBIOZIHZXAFAG-YUMQZZPRSA-N 2 1 213.350 1.667 20 0 BDADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000389990620 357081604 /nfs/dbraw/zinc/08/16/04/357081604.db2.gz OCSJSSLDBDYSBP-GFCCVEGCSA-N 2 1 209.337 1.987 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)C1CCOCC1 ZINC000423261757 192657127 /nfs/dbraw/zinc/65/71/27/192657127.db2.gz KQUJXFUDLZHGMB-WCQYABFASA-N 2 1 228.380 1.765 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000665282918 491107961 /nfs/dbraw/zinc/10/79/61/491107961.db2.gz DWSHDBIXRVHROF-XQQFMLRXSA-N 3 1 227.396 1.467 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000393754652 357296740 /nfs/dbraw/zinc/29/67/40/357296740.db2.gz VTJNWKAZWFGUGZ-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(C)C)C1 ZINC000393791332 357299069 /nfs/dbraw/zinc/29/90/69/357299069.db2.gz ZDHXDVGDXZWTNG-CHWSQXEVSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000393791332 357299075 /nfs/dbraw/zinc/29/90/75/357299075.db2.gz ZDHXDVGDXZWTNG-CHWSQXEVSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000393791332 357299077 /nfs/dbraw/zinc/29/90/77/357299077.db2.gz ZDHXDVGDXZWTNG-CHWSQXEVSA-N 2 1 228.380 1.277 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1c[nH+]ccc1N ZINC000423283967 192676856 /nfs/dbraw/zinc/67/68/56/192676856.db2.gz XVBQHBPIWLMFBR-NEPJUHHUSA-N 3 1 248.374 1.534 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000628425448 357252987 /nfs/dbraw/zinc/25/29/87/357252987.db2.gz LIKXJDGTMGZRIH-JHJVBQTASA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C[C@H]1C[NH3+] ZINC000393358737 357308375 /nfs/dbraw/zinc/30/83/75/357308375.db2.gz RNTPFJANOVWFOQ-RQJABVFESA-N 2 1 240.391 1.454 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000582912806 357434392 /nfs/dbraw/zinc/43/43/92/357434392.db2.gz IEJDRPVOZZGNAT-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000582912806 357434397 /nfs/dbraw/zinc/43/43/97/357434397.db2.gz IEJDRPVOZZGNAT-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000582912806 357434403 /nfs/dbraw/zinc/43/44/03/357434403.db2.gz IEJDRPVOZZGNAT-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000582912806 357434407 /nfs/dbraw/zinc/43/44/07/357434407.db2.gz IEJDRPVOZZGNAT-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000359016913 538848513 /nfs/dbraw/zinc/84/85/13/538848513.db2.gz UHQASYCJYSIFPN-DOMZBBRYSA-N 2 1 247.386 1.862 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCOCC2CC2)CC1(C)C ZINC000623410102 357503754 /nfs/dbraw/zinc/50/37/54/357503754.db2.gz APHHAMTWAIAGPG-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CC[N@H+]1C ZINC000230898253 357578271 /nfs/dbraw/zinc/57/82/71/357578271.db2.gz WKWUASWJAZLGAA-AAEUAGOBSA-N 2 1 236.363 1.035 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230393037 357533245 /nfs/dbraw/zinc/53/32/45/357533245.db2.gz OTAHEXMYSBKCOO-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000230409329 357540080 /nfs/dbraw/zinc/54/00/80/357540080.db2.gz PHKRVLMYJSXBLH-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)O1 ZINC000188551665 357561956 /nfs/dbraw/zinc/56/19/56/357561956.db2.gz OAHFDQYZKPKABD-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)O1 ZINC000188551665 357561958 /nfs/dbraw/zinc/56/19/58/357561958.db2.gz OAHFDQYZKPKABD-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)O1 ZINC000188551665 357561961 /nfs/dbraw/zinc/56/19/61/357561961.db2.gz OAHFDQYZKPKABD-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415193 357763190 /nfs/dbraw/zinc/76/31/90/357763190.db2.gz CGZQWRFJRGTXAW-JSGCOSHPSA-N 2 1 242.407 1.856 20 0 BDADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H](C)O)CC1 ZINC000191490948 357775199 /nfs/dbraw/zinc/77/51/99/357775199.db2.gz DSSJUOHVRFZRKF-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416041 357828847 /nfs/dbraw/zinc/82/88/47/357828847.db2.gz GTKLDSLCUREWKI-VXGBXAGGSA-N 2 1 228.380 1.610 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192499128 357835504 /nfs/dbraw/zinc/83/55/04/357835504.db2.gz PTBSYXJZTINQMW-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000584404664 357912574 /nfs/dbraw/zinc/91/25/74/357912574.db2.gz JITAAVAFZPZJHW-WDEREUQCSA-N 3 1 201.358 1.090 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H](CO)C1 ZINC000639936195 357932294 /nfs/dbraw/zinc/93/22/94/357932294.db2.gz AJLMBTWJROFWTO-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H](CO)C1 ZINC000639936195 357932297 /nfs/dbraw/zinc/93/22/97/357932297.db2.gz AJLMBTWJROFWTO-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H](CO)C1 ZINC000639936195 357932299 /nfs/dbraw/zinc/93/22/99/357932299.db2.gz AJLMBTWJROFWTO-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ncccc1F ZINC000584463867 357980760 /nfs/dbraw/zinc/98/07/60/357980760.db2.gz MOEXOVQQAGKLIN-MWLCHTKSSA-N 2 1 223.295 1.438 20 0 BDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](C)O)CC1 ZINC000639985967 358026832 /nfs/dbraw/zinc/02/68/32/358026832.db2.gz GTCUHXXRBRFGQA-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222894590 358213020 /nfs/dbraw/zinc/21/30/20/358213020.db2.gz UHNURHIVYYERQM-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222894590 358213022 /nfs/dbraw/zinc/21/30/22/358213022.db2.gz UHNURHIVYYERQM-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H](CN1CCCCC1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222959612 358216080 /nfs/dbraw/zinc/21/60/80/358216080.db2.gz QFJPMOUPCFTOPQ-MCIONIFRSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1CCCCO1 ZINC000223636585 358229486 /nfs/dbraw/zinc/22/94/86/358229486.db2.gz LETKIBXSAXCIML-AGIUHOORSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@@H]1CCCCO1 ZINC000223636704 358229610 /nfs/dbraw/zinc/22/96/10/358229610.db2.gz LETKIBXSAXCIML-UPJWGTAASA-N 2 1 226.364 1.757 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)CC[NH2+]C(C)C ZINC000226407127 358339211 /nfs/dbraw/zinc/33/92/11/358339211.db2.gz ZJGSVAHRINGLSZ-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCO2)C1 ZINC000173895592 134278435 /nfs/dbraw/zinc/27/84/35/134278435.db2.gz QUMBPHPURSNYRJ-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000173895592 134278436 /nfs/dbraw/zinc/27/84/36/134278436.db2.gz QUMBPHPURSNYRJ-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+](C)CC2)C1 ZINC000309423208 358544147 /nfs/dbraw/zinc/54/41/47/358544147.db2.gz KASBFSVLDIUYQN-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H](O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000044162361 358546720 /nfs/dbraw/zinc/54/67/20/358546720.db2.gz XYKAROXNYWWIGB-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130213875 358615105 /nfs/dbraw/zinc/61/51/05/358615105.db2.gz IWGHKVDEDLWTBD-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000070489599 359057265 /nfs/dbraw/zinc/05/72/65/359057265.db2.gz CCKHTFWUYBLQQM-LBPRGKRZSA-N 2 1 235.331 1.523 20 0 BDADMP [NH3+]CC(F)(F)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423348967 192724972 /nfs/dbraw/zinc/72/49/72/192724972.db2.gz VJWCOYSEENQTRL-WDEREUQCSA-N 2 1 241.285 1.315 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248030635 359251087 /nfs/dbraw/zinc/25/10/87/359251087.db2.gz KEFYJNRRFMVCLE-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@@H](C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000248030635 359251091 /nfs/dbraw/zinc/25/10/91/359251091.db2.gz KEFYJNRRFMVCLE-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@@H](C)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000248030635 359251094 /nfs/dbraw/zinc/25/10/94/359251094.db2.gz KEFYJNRRFMVCLE-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP COC(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000248059051 359252813 /nfs/dbraw/zinc/25/28/13/359252813.db2.gz XYZZUAAJQZOZGK-VXGBXAGGSA-N 2 1 242.363 1.021 20 0 BDADMP COC(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000248059051 359252820 /nfs/dbraw/zinc/25/28/20/359252820.db2.gz XYZZUAAJQZOZGK-VXGBXAGGSA-N 2 1 242.363 1.021 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)CC1(C)C ZINC000623436029 359328443 /nfs/dbraw/zinc/32/84/43/359328443.db2.gz AMBPPJKGDYUYRE-LBPRGKRZSA-N 2 1 242.407 1.857 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000379563061 359544462 /nfs/dbraw/zinc/54/44/62/359544462.db2.gz YQZOYMKPTPTHEF-UPJWGTAASA-N 2 1 222.376 1.964 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000379549813 359548197 /nfs/dbraw/zinc/54/81/97/359548197.db2.gz MSKLUHWSHNPJKM-SDDRHHMPSA-N 2 1 210.365 1.948 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450861099 202292037 /nfs/dbraw/zinc/29/20/37/202292037.db2.gz XVEWITVWLAMLRA-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CCc1nc(NC[C@@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000045955014 359746941 /nfs/dbraw/zinc/74/69/41/359746941.db2.gz HJCHMMJGLGEUNI-LLVKDONJSA-N 2 1 234.347 1.759 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCC2)CC1(C)C ZINC000623470211 359769527 /nfs/dbraw/zinc/76/95/27/359769527.db2.gz FEINWZMIYPQKAW-LBPRGKRZSA-N 2 1 225.380 1.155 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000578368538 366541720 /nfs/dbraw/zinc/54/17/20/366541720.db2.gz VPXBFECQYPBDJG-FQUUOJAGSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000578368538 366541724 /nfs/dbraw/zinc/54/17/24/366541724.db2.gz VPXBFECQYPBDJG-FQUUOJAGSA-N 2 1 242.407 1.856 20 0 BDADMP CC(CN1CC[C@H](F)C1)C[N@H+]1CC[C@H](F)C1 ZINC000451200708 202379165 /nfs/dbraw/zinc/37/91/65/202379165.db2.gz SYGYMGLSSHJUNX-RYUDHWBXSA-N 2 1 232.318 1.710 20 0 BDADMP OCCC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000087647866 359922181 /nfs/dbraw/zinc/92/21/81/359922181.db2.gz OYPBKJNZCRWFPE-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP Cc1cnc(C)nc1NCC[N@H+](C)C(C)C ZINC000578765540 366643790 /nfs/dbraw/zinc/64/37/90/366643790.db2.gz GCSHPLSQDARZBP-UHFFFAOYSA-N 2 1 222.336 1.267 20 0 BDADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@@H+]1C ZINC000090795392 360088827 /nfs/dbraw/zinc/08/88/27/360088827.db2.gz UQESGWNYRRFFNH-MNOVXSKESA-N 2 1 249.362 1.437 20 0 BDADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@H+]1C ZINC000090795392 360088831 /nfs/dbraw/zinc/08/88/31/360088831.db2.gz UQESGWNYRRFFNH-MNOVXSKESA-N 2 1 249.362 1.437 20 0 BDADMP CN(Cc1ccn(C)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253581 360159271 /nfs/dbraw/zinc/15/92/71/360159271.db2.gz OYCRWAFDYDHCKA-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000092253581 360159283 /nfs/dbraw/zinc/15/92/83/360159283.db2.gz OYCRWAFDYDHCKA-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000092253581 360159288 /nfs/dbraw/zinc/15/92/88/360159288.db2.gz OYCRWAFDYDHCKA-ZDUSSCGKSA-N 2 1 235.375 1.799 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093451083 360244904 /nfs/dbraw/zinc/24/49/04/360244904.db2.gz YOGFCDWFMPLNAP-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP CC[NH+](CC)C[C@@H]1CCN(Cc2cnc[nH]2)C1 ZINC000093693245 360272516 /nfs/dbraw/zinc/27/25/16/360272516.db2.gz CXYGJXHMPMEPQF-LBPRGKRZSA-N 2 1 236.363 1.573 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2=CCCOC2)C1 ZINC000093770602 360274410 /nfs/dbraw/zinc/27/44/10/360274410.db2.gz HTVXYTHSXVPXMV-CYBMUJFWSA-N 2 1 238.375 1.607 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000093770602 360274411 /nfs/dbraw/zinc/27/44/11/360274411.db2.gz HTVXYTHSXVPXMV-CYBMUJFWSA-N 2 1 238.375 1.607 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000093770602 360274412 /nfs/dbraw/zinc/27/44/12/360274412.db2.gz HTVXYTHSXVPXMV-CYBMUJFWSA-N 2 1 238.375 1.607 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cn[nH]c1 ZINC000623474542 360410136 /nfs/dbraw/zinc/41/01/36/360410136.db2.gz FESPBCOCAAGVSF-PWSUYJOCSA-N 2 1 236.363 1.933 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cn[nH]c1 ZINC000623474542 360410141 /nfs/dbraw/zinc/41/01/41/360410141.db2.gz FESPBCOCAAGVSF-PWSUYJOCSA-N 2 1 236.363 1.933 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000629384734 361032260 /nfs/dbraw/zinc/03/22/60/361032260.db2.gz BNXZFBWSZWKAEM-GHMZBOCLSA-N 2 1 226.389 1.756 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000629390771 361046048 /nfs/dbraw/zinc/04/60/48/361046048.db2.gz XNOYOTLCXSGSQX-OUAUKWLOSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410580 361060812 /nfs/dbraw/zinc/06/08/12/361060812.db2.gz HBWHGHPAIILXEY-NMKXLXIOSA-N 2 1 237.391 1.199 20 0 BDADMP Oc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000629500697 361101081 /nfs/dbraw/zinc/10/10/81/361101081.db2.gz FXXLHRVZMOLQTH-UHFFFAOYSA-N 2 1 246.354 1.750 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C1CC1 ZINC000629509366 361103724 /nfs/dbraw/zinc/10/37/24/361103724.db2.gz DKVMSEQDUOPGRR-CYZMBNFOSA-N 2 1 226.364 1.471 20 0 BDADMP Cc1cncc(C[NH2+][C@](C)(C[NH3+])C2CC2)c1 ZINC000629512569 361107434 /nfs/dbraw/zinc/10/74/34/361107434.db2.gz BFGYVKIYEMXSAF-CYBMUJFWSA-N 2 1 219.332 1.607 20 0 BDADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])CO2 ZINC000629515933 361110437 /nfs/dbraw/zinc/11/04/37/361110437.db2.gz YOPYWDQCAHZVHD-FPMFFAJLSA-N 2 1 246.354 1.768 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC2)[C@@H](C)C1 ZINC000224420163 491154760 /nfs/dbraw/zinc/15/47/60/491154760.db2.gz LYZUVCCXMGRCLI-NWDGAFQWSA-N 2 1 226.364 1.079 20 0 BDADMP CCO[C@@H](C[N@@H+](C)C1CC([NH3+])C1)C1CC1 ZINC000629532532 361152771 /nfs/dbraw/zinc/15/27/71/361152771.db2.gz GBBDRQKZBNXYMQ-MCIGGMRASA-N 2 1 212.337 1.223 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629525858 361126397 /nfs/dbraw/zinc/12/63/97/361126397.db2.gz DUDFLJDJVXJJIV-FRRDWIJNSA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629526312 361127534 /nfs/dbraw/zinc/12/75/34/361127534.db2.gz POOZRFZQBGSCNX-GARJFASQSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000158590084 361205124 /nfs/dbraw/zinc/20/51/24/361205124.db2.gz SXSJKYREIGUMPP-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP COCCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000158708476 361210244 /nfs/dbraw/zinc/21/02/44/361210244.db2.gz YMLZEYJKBHTYDD-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@H](C[NH2+]Cc1cn[nH]c1)C[NH+]1CCCC1 ZINC000381328050 361334976 /nfs/dbraw/zinc/33/49/76/361334976.db2.gz RVGLKTSFBSBJGN-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000191824245 361370531 /nfs/dbraw/zinc/37/05/31/361370531.db2.gz XHESZVVKEPGWCP-JQWIXIFHSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccn2ccnc2c1 ZINC000614275090 363767764 /nfs/dbraw/zinc/76/77/64/363767764.db2.gz FJZBMZODNSBHBY-LLVKDONJSA-N 2 1 244.298 1.367 20 0 BDADMP CN1CCC[C@@H]1C(=O)Nc1ccn2ccnc2c1 ZINC000614275090 363767770 /nfs/dbraw/zinc/76/77/70/363767770.db2.gz FJZBMZODNSBHBY-LLVKDONJSA-N 2 1 244.298 1.367 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)CC[N@H+]1C ZINC000163170077 361388772 /nfs/dbraw/zinc/38/87/72/361388772.db2.gz GKKKQOSVWMMGMN-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000629537959 361402661 /nfs/dbraw/zinc/40/26/61/361402661.db2.gz LMCKPQACTBEYHM-CHWSQXEVSA-N 2 1 219.332 1.750 20 0 BDADMP CCO[C@@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CC1 ZINC000629543638 361412945 /nfs/dbraw/zinc/41/29/45/361412945.db2.gz BBIVITCUGZMIKE-XBFCOCLRSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CC1 ZINC000629543638 361412950 /nfs/dbraw/zinc/41/29/50/361412950.db2.gz BBIVITCUGZMIKE-XBFCOCLRSA-N 2 1 240.391 1.861 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cn1 ZINC000629546211 361427264 /nfs/dbraw/zinc/42/72/64/361427264.db2.gz OAALRNAQTSWJDP-NTZNESFSSA-N 2 1 249.358 1.361 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547627 361431975 /nfs/dbraw/zinc/43/19/75/361431975.db2.gz LDPPJBZWODSUJB-XYJRDEOASA-N 2 1 224.348 1.284 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629542611 361419140 /nfs/dbraw/zinc/41/91/40/361419140.db2.gz GZCXZGAYQOGEGZ-ZDEQEGDKSA-N 2 1 226.364 1.674 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000430946578 201158554 /nfs/dbraw/zinc/15/85/54/201158554.db2.gz BABPRXMFTPSPAA-AWEZNQCLSA-N 2 1 247.386 1.664 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCC(C)(C)C1CC1 ZINC000629572576 361463846 /nfs/dbraw/zinc/46/38/46/361463846.db2.gz XNEWYLCRCUKPTC-UHFFFAOYSA-N 2 1 242.407 1.981 20 0 BDADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629578108 361468383 /nfs/dbraw/zinc/46/83/83/361468383.db2.gz GPOUSPWPOFJYJK-NSHDSACASA-N 2 1 240.322 1.794 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CC1CC(C)(C)C1 ZINC000629581338 361470960 /nfs/dbraw/zinc/47/09/60/361470960.db2.gz WRYVFYOTBZOLLD-UHFFFAOYSA-N 2 1 214.353 1.330 20 0 BDADMP C[NH2+]C1CC[NH+](CC2=CCCOC2)CC1 ZINC000379748537 361472069 /nfs/dbraw/zinc/47/20/69/361472069.db2.gz FSKPPSIPDQOYCN-UHFFFAOYSA-N 2 1 210.321 1.017 20 0 BDADMP CCCCOCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598047 361488314 /nfs/dbraw/zinc/48/83/14/361488314.db2.gz VRXVLTWRBHDDSE-OKILXGFUSA-N 2 1 240.391 1.735 20 0 BDADMP CCCCOCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598047 361488318 /nfs/dbraw/zinc/48/83/18/361488318.db2.gz VRXVLTWRBHDDSE-OKILXGFUSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C/C=C/c1ccccc1 ZINC000629654797 361558456 /nfs/dbraw/zinc/55/84/56/361558456.db2.gz RRHWMJORYQTWOP-RMKNXTFCSA-N 2 1 248.370 1.868 20 0 BDADMP CS[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000448545869 201198465 /nfs/dbraw/zinc/19/84/65/201198465.db2.gz NWQWRBHOJPNUGX-NWDGAFQWSA-N 2 1 228.405 1.908 20 0 BDADMP CS[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000448545869 201198468 /nfs/dbraw/zinc/19/84/68/201198468.db2.gz NWQWRBHOJPNUGX-NWDGAFQWSA-N 2 1 228.405 1.908 20 0 BDADMP Cn1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000629647849 361538897 /nfs/dbraw/zinc/53/88/97/361538897.db2.gz BXIIENBAWZCHBX-LLVKDONJSA-N 2 1 209.337 1.488 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000629648155 361538973 /nfs/dbraw/zinc/53/89/73/361538973.db2.gz PZTGVTDYJHYAEO-GFCCVEGCSA-N 2 1 205.305 1.217 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648514 361541241 /nfs/dbraw/zinc/54/12/41/361541241.db2.gz QAGRBFPZLNJKRV-DYEKYZERSA-N 2 1 238.375 1.638 20 0 BDADMP COCc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)o1 ZINC000629649542 361544851 /nfs/dbraw/zinc/54/48/51/361544851.db2.gz VOXUSZQBNPOHPZ-LLVKDONJSA-N 2 1 238.331 1.658 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152700894 201205447 /nfs/dbraw/zinc/20/54/47/201205447.db2.gz MCIPNWTVVYUXSN-TUAOUCFPSA-N 2 1 214.353 1.484 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152700894 201205450 /nfs/dbraw/zinc/20/54/50/201205450.db2.gz MCIPNWTVVYUXSN-TUAOUCFPSA-N 2 1 214.353 1.484 20 0 BDADMP COC1(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCCC1 ZINC000629650016 361546236 /nfs/dbraw/zinc/54/62/36/361546236.db2.gz OHNRRSRVBHESTQ-TZMCWYRMSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629652940 361551222 /nfs/dbraw/zinc/55/12/22/361551222.db2.gz FSTUPUMFNQBORP-CYBMUJFWSA-N 2 1 224.348 1.536 20 0 BDADMP C1=C(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)COCC1 ZINC000629653860 361554932 /nfs/dbraw/zinc/55/49/32/361554932.db2.gz LFLRWUVDLVMPHS-ZDUSSCGKSA-N 2 1 222.332 1.019 20 0 BDADMP CC1(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629665302 361587476 /nfs/dbraw/zinc/58/74/76/361587476.db2.gz KOQCLJZPBUEBHD-BETUJISGSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1ccc(F)c(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000629665998 361587772 /nfs/dbraw/zinc/58/77/72/361587772.db2.gz ZRWRVZQAIYDHLV-UHFFFAOYSA-N 2 1 240.322 1.541 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000434764250 201236092 /nfs/dbraw/zinc/23/60/92/201236092.db2.gz IHPPVYXLIVMQBF-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000434764250 201236096 /nfs/dbraw/zinc/23/60/96/201236096.db2.gz IHPPVYXLIVMQBF-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP COC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000448555565 201261968 /nfs/dbraw/zinc/26/19/68/201261968.db2.gz MQKNAONRSGPCRY-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000448555565 201261971 /nfs/dbraw/zinc/26/19/71/201261971.db2.gz MQKNAONRSGPCRY-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626575 201278676 /nfs/dbraw/zinc/27/86/76/201278676.db2.gz OXKBLVGRDNFVGX-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+](CCOC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623105 201278901 /nfs/dbraw/zinc/27/89/01/201278901.db2.gz BUNRMZFTNRJROX-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP CCOCCC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435630671 201279523 /nfs/dbraw/zinc/27/95/23/201279523.db2.gz YIFFAKYXBAOWIR-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP COCCCCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623423 201280178 /nfs/dbraw/zinc/28/01/78/201280178.db2.gz UZLPRWHFRWUAHO-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP CC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435735452 201285298 /nfs/dbraw/zinc/28/52/98/201285298.db2.gz MZTUTNHLBYYAQN-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435735452 201285300 /nfs/dbraw/zinc/28/53/00/201285300.db2.gz MZTUTNHLBYYAQN-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP [NH3+]C1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000011729522 181344513 /nfs/dbraw/zinc/34/45/13/181344513.db2.gz BAGSQTCSSLOBRJ-ZDUSSCGKSA-N 2 1 238.306 1.282 20 0 BDADMP CC[N@@H+]1C[C@@H](C)[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437107526 201343510 /nfs/dbraw/zinc/34/35/10/201343510.db2.gz PPPWGUYDTXOXFT-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437107526 201343512 /nfs/dbraw/zinc/34/35/12/201343512.db2.gz PPPWGUYDTXOXFT-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000155735742 201349397 /nfs/dbraw/zinc/34/93/97/201349397.db2.gz KHIMKAGBPJIWIM-CHWSQXEVSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155735742 201349400 /nfs/dbraw/zinc/34/94/00/201349400.db2.gz KHIMKAGBPJIWIM-CHWSQXEVSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155735742 201349402 /nfs/dbraw/zinc/34/94/02/201349402.db2.gz KHIMKAGBPJIWIM-CHWSQXEVSA-N 2 1 227.396 1.399 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000155820330 201353225 /nfs/dbraw/zinc/35/32/25/201353225.db2.gz YVOLLRASIUISTF-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000155820330 201353228 /nfs/dbraw/zinc/35/32/28/201353228.db2.gz YVOLLRASIUISTF-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000155820330 201353232 /nfs/dbraw/zinc/35/32/32/201353232.db2.gz YVOLLRASIUISTF-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000437782779 201373042 /nfs/dbraw/zinc/37/30/42/201373042.db2.gz HCGJOALJKUHSFE-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+]CC[NH+]1CCCCCC1 ZINC000438070715 201385714 /nfs/dbraw/zinc/38/57/14/201385714.db2.gz IHWSUHHDRBPPCH-CQSZACIVSA-N 2 1 240.391 1.879 20 0 BDADMP Cc1nc(N[C@@H]2CC[NH2+][C@H]2C)c(C)c(C)[nH+]1 ZINC000630544441 364238565 /nfs/dbraw/zinc/23/85/65/364238565.db2.gz HQVUAAYRNKYBTJ-GXSJLCMTSA-N 2 1 220.320 1.564 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398952614 364278697 /nfs/dbraw/zinc/27/86/97/364278697.db2.gz FHBAKEDCGOJWGQ-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C1CC1)C1CC1 ZINC000579549931 366863769 /nfs/dbraw/zinc/86/37/69/366863769.db2.gz PKDPLFQYPYORER-CYBMUJFWSA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C1CC1)C1CC1 ZINC000579549931 366863774 /nfs/dbraw/zinc/86/37/74/366863774.db2.gz PKDPLFQYPYORER-CYBMUJFWSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000579549931 366863779 /nfs/dbraw/zinc/86/37/79/366863779.db2.gz PKDPLFQYPYORER-CYBMUJFWSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000579549931 366863785 /nfs/dbraw/zinc/86/37/85/366863785.db2.gz PKDPLFQYPYORER-CYBMUJFWSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000251908503 364666458 /nfs/dbraw/zinc/66/64/58/364666458.db2.gz TVAHIZMSUVJJAR-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000328376899 364841711 /nfs/dbraw/zinc/84/17/11/364841711.db2.gz UFSYIUORQXFZLU-YIYPIFLZSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000333310557 541400832 /nfs/dbraw/zinc/40/08/32/541400832.db2.gz RRDOHMSKSGMUJU-SRVKXCTJSA-N 2 1 248.374 1.750 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088436 541406739 /nfs/dbraw/zinc/40/67/39/541406739.db2.gz CWNSUHKTJCPXOB-XJFOESAGSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088436 541406744 /nfs/dbraw/zinc/40/67/44/541406744.db2.gz CWNSUHKTJCPXOB-XJFOESAGSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000574010074 364964869 /nfs/dbraw/zinc/96/48/69/364964869.db2.gz JBNHFINFLAHDBS-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@@H](C)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000574021356 364968378 /nfs/dbraw/zinc/96/83/78/364968378.db2.gz GPHJDHVDYPILDO-QJPTWQEYSA-N 2 1 214.353 1.186 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000574069898 364981448 /nfs/dbraw/zinc/98/14/48/364981448.db2.gz AZGBVNOVXQKRQN-UONOGXRCSA-N 3 1 241.423 1.886 20 0 BDADMP [NH3+]CCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000037750152 181381473 /nfs/dbraw/zinc/38/14/73/181381473.db2.gz XEPPOVYKSQUSNP-MRVPVSSYSA-N 2 1 210.243 1.610 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000037750152 181381474 /nfs/dbraw/zinc/38/14/74/181381474.db2.gz XEPPOVYKSQUSNP-MRVPVSSYSA-N 2 1 210.243 1.610 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000574308215 365033343 /nfs/dbraw/zinc/03/33/43/365033343.db2.gz SIGDUYNOCAPLHZ-OLZOCXBDSA-N 2 1 220.316 1.148 20 0 BDADMP [NH3+]CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000042428200 181390759 /nfs/dbraw/zinc/39/07/59/181390759.db2.gz VXHUDFOVGYEFBB-LBPRGKRZSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+]CC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000042428200 181390760 /nfs/dbraw/zinc/39/07/60/181390760.db2.gz VXHUDFOVGYEFBB-LBPRGKRZSA-N 2 1 212.337 1.369 20 0 BDADMP NCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037713029 181397159 /nfs/dbraw/zinc/39/71/59/181397159.db2.gz WTKWUSPQJJLVFK-LBPRGKRZSA-N 2 1 208.280 1.825 20 0 BDADMP [NH3+]CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037713029 181397162 /nfs/dbraw/zinc/39/71/62/181397162.db2.gz WTKWUSPQJJLVFK-LBPRGKRZSA-N 2 1 208.280 1.825 20 0 BDADMP CCCC[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000442970330 193008006 /nfs/dbraw/zinc/00/80/06/193008006.db2.gz SVMZILCILWXQMU-VIFPVBQESA-N 2 1 238.335 1.988 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)CC[N@H+]1C ZINC000576203768 365520767 /nfs/dbraw/zinc/52/07/67/365520767.db2.gz QKTZEQDOXVQSFT-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000579701760 366983473 /nfs/dbraw/zinc/98/34/73/366983473.db2.gz IABVCNKJDUGHBA-LLVKDONJSA-N 2 1 230.315 1.057 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000580963633 367220982 /nfs/dbraw/zinc/22/09/82/367220982.db2.gz VDDQLHKLHWDXDE-OLZOCXBDSA-N 3 1 236.363 1.441 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@H]1C ZINC000380662475 367269759 /nfs/dbraw/zinc/26/97/59/367269759.db2.gz AYEBBCHGTBDBJV-IUCAKERBSA-N 2 1 238.335 1.494 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000380565346 367244735 /nfs/dbraw/zinc/24/47/35/367244735.db2.gz OJDMCLRZBCSMGE-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380979567 367329851 /nfs/dbraw/zinc/32/98/51/367329851.db2.gz CDSGQAAWDAPNFP-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380979567 367329859 /nfs/dbraw/zinc/32/98/59/367329859.db2.gz CDSGQAAWDAPNFP-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000381053197 367344136 /nfs/dbraw/zinc/34/41/36/367344136.db2.gz IMBHQSGNHAZSJF-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000581185260 367286396 /nfs/dbraw/zinc/28/63/96/367286396.db2.gz NMOUJQFOKYAYEP-KBPBESRZSA-N 2 1 237.391 1.546 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000581194254 367290387 /nfs/dbraw/zinc/29/03/87/367290387.db2.gz YFRLCPWIBWRMFN-WHOHXGKFSA-N 2 1 241.379 1.101 20 0 BDADMP CC(C)OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381402123 367395362 /nfs/dbraw/zinc/39/53/62/367395362.db2.gz APOKFIMRMJFODA-BETUJISGSA-N 2 1 226.364 1.343 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1sccc1C ZINC000581374841 367405775 /nfs/dbraw/zinc/40/57/75/367405775.db2.gz DNRNEMSRILKZPH-GFCCVEGCSA-N 2 1 242.388 1.459 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1sccc1C ZINC000581374841 367405777 /nfs/dbraw/zinc/40/57/77/367405777.db2.gz DNRNEMSRILKZPH-GFCCVEGCSA-N 2 1 242.388 1.459 20 0 BDADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000381201809 367364352 /nfs/dbraw/zinc/36/43/52/367364352.db2.gz FKKQSQMLBLMTIF-ZDUSSCGKSA-N 2 1 221.348 1.987 20 0 BDADMP C[C@@H](C[NH3+])[N@H+](C)CCCOc1ccc(F)cc1 ZINC000382970208 367576915 /nfs/dbraw/zinc/57/69/15/367576915.db2.gz AZPWTNMHBAJLHO-NSHDSACASA-N 2 1 240.322 1.874 20 0 BDADMP C[C@@H](C[NH3+])[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000382970208 367576920 /nfs/dbraw/zinc/57/69/20/367576920.db2.gz AZPWTNMHBAJLHO-NSHDSACASA-N 2 1 240.322 1.874 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCOC1 ZINC000399161079 367707918 /nfs/dbraw/zinc/70/79/18/367707918.db2.gz CNOVILWUPCUPKS-KXNHARMFSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000384435164 367691550 /nfs/dbraw/zinc/69/15/50/367691550.db2.gz DQHBUUSFFWORFS-QWRGUYRKSA-N 2 1 216.369 1.323 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000385027911 367774198 /nfs/dbraw/zinc/77/41/98/367774198.db2.gz JSUVIYMKACWBCN-RRFJBIMHSA-N 2 1 245.370 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H](C)O1 ZINC000385124974 367796828 /nfs/dbraw/zinc/79/68/28/367796828.db2.gz KNGDVNSQPPHEJB-GYSYKLTISA-N 2 1 238.375 1.769 20 0 BDADMP CCn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000385347459 367820926 /nfs/dbraw/zinc/82/09/26/367820926.db2.gz NNFCCJHZGQZFJO-VXGBXAGGSA-N 2 1 236.363 1.510 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386108313 367912547 /nfs/dbraw/zinc/91/25/47/367912547.db2.gz KZXBFHIIYSRAGN-OUAUKWLOSA-N 2 1 216.394 1.858 20 0 BDADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000566219093 326016354 /nfs/dbraw/zinc/01/63/54/326016354.db2.gz ALNNJYIWEUISRO-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]CCc1cccnc1)[C@@H]1CCCC[NH2+]1 ZINC000386543189 367989404 /nfs/dbraw/zinc/98/94/04/367989404.db2.gz DWAXDCUBWLUENN-OCCSQVGLSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]([NH2+]CCSCCCO)[C@@H]1CCCC[NH2+]1 ZINC000386582486 367997473 /nfs/dbraw/zinc/99/74/73/367997473.db2.gz PGBFAEIJKKTCQE-NEPJUHHUSA-N 2 1 246.420 1.222 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386387131 367959435 /nfs/dbraw/zinc/95/94/35/367959435.db2.gz FCFKSADYZMOJRN-FPMFFAJLSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@H](NC[C@H]1CCC[N@H+]1C)[C@H]1CCCC[NH2+]1 ZINC000386430094 367969476 /nfs/dbraw/zinc/96/94/76/367969476.db2.gz LFZCXGQSDWFIDM-YNEHKIRRSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566738680 326078497 /nfs/dbraw/zinc/07/84/97/326078497.db2.gz GZHQZYLKHGYFCZ-WYUUTHIRSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+](C)[C@H](C[NH3+])C2CC2)O1 ZINC000253168900 368581748 /nfs/dbraw/zinc/58/17/48/368581748.db2.gz BDHXPGRNKLXTBL-ADEWGFFLSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C)[C@H](C[NH3+])C2CC2)O1 ZINC000253168900 368581750 /nfs/dbraw/zinc/58/17/50/368581750.db2.gz BDHXPGRNKLXTBL-ADEWGFFLSA-N 2 1 212.337 1.223 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc[nH]n1 ZINC000066973473 368671950 /nfs/dbraw/zinc/67/19/50/368671950.db2.gz XSAVFYOZPXLULU-UHFFFAOYSA-N 2 1 219.292 1.095 20 0 BDADMP CCN(CC)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086401883 368880159 /nfs/dbraw/zinc/88/01/59/368880159.db2.gz FHFMPTRGGSRJMV-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657183 368997100 /nfs/dbraw/zinc/99/71/00/368997100.db2.gz KYKMQIYUBKZVCE-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657683 368999608 /nfs/dbraw/zinc/99/96/08/368999608.db2.gz WNNUXEHPIZMDFU-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000623655065 368990601 /nfs/dbraw/zinc/99/06/01/368990601.db2.gz NONLNEGIPHYXAJ-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000623655065 368990605 /nfs/dbraw/zinc/99/06/05/368990605.db2.gz NONLNEGIPHYXAJ-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP Cn1nccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656254 368992740 /nfs/dbraw/zinc/99/27/40/368992740.db2.gz QBEBDCFVSZTBDU-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656254 368992742 /nfs/dbraw/zinc/99/27/42/368992742.db2.gz QBEBDCFVSZTBDU-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459436559 203281808 /nfs/dbraw/zinc/28/18/08/203281808.db2.gz XKQHVHXHRMCHBF-FZMZJTMJSA-N 2 1 240.391 1.610 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000567748231 326255050 /nfs/dbraw/zinc/25/50/50/326255050.db2.gz OLZJTPSJOFXCSV-QWRGUYRKSA-N 2 1 242.363 1.387 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000459653274 203330096 /nfs/dbraw/zinc/33/00/96/203330096.db2.gz XSFSOQSQUJBZBX-TXEJJXNPSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]1C[C@@H](N)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000631861733 369469634 /nfs/dbraw/zinc/46/96/34/369469634.db2.gz HZGRMGKPHJJMHK-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@@H](N)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000631861733 369469639 /nfs/dbraw/zinc/46/96/39/369469639.db2.gz HZGRMGKPHJJMHK-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000631861733 369469644 /nfs/dbraw/zinc/46/96/44/369469644.db2.gz HZGRMGKPHJJMHK-WCQYABFASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000631861733 369469650 /nfs/dbraw/zinc/46/96/50/369469650.db2.gz HZGRMGKPHJJMHK-WCQYABFASA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCSC2)C1 ZINC000459722416 203342574 /nfs/dbraw/zinc/34/25/74/203342574.db2.gz BHQAUPXNXXKSQU-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP COC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459783432 203344749 /nfs/dbraw/zinc/34/47/49/203344749.db2.gz NDWKDOYFNMFGDC-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc[nH]n2)C1 ZINC000459737684 203347136 /nfs/dbraw/zinc/34/71/36/203347136.db2.gz RPXUJXWJTVWPDY-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000252863542 370136545 /nfs/dbraw/zinc/13/65/45/370136545.db2.gz OSOIDHQLOYPUCS-FDYHWXHSSA-N 2 1 224.348 1.082 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252865005 370137286 /nfs/dbraw/zinc/13/72/86/370137286.db2.gz POBWIWIYIVEXOM-SDDRHHMPSA-N 2 1 228.405 1.799 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000310489657 370347790 /nfs/dbraw/zinc/34/77/90/370347790.db2.gz FQMGMIOEBRCIJB-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@@H]1C ZINC000310489657 370347796 /nfs/dbraw/zinc/34/77/96/370347796.db2.gz FQMGMIOEBRCIJB-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@@H]1C ZINC000310489657 370347800 /nfs/dbraw/zinc/34/78/00/370347800.db2.gz FQMGMIOEBRCIJB-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000310489657 370347804 /nfs/dbraw/zinc/34/78/04/370347804.db2.gz FQMGMIOEBRCIJB-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000310489657 370347811 /nfs/dbraw/zinc/34/78/11/370347811.db2.gz FQMGMIOEBRCIJB-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@@H](C)C1 ZINC000310538076 370350033 /nfs/dbraw/zinc/35/00/33/370350033.db2.gz PVKXKIWEHXIEMG-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@@H](C)C1 ZINC000310538076 370350037 /nfs/dbraw/zinc/35/00/37/370350037.db2.gz PVKXKIWEHXIEMG-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000310538076 370350042 /nfs/dbraw/zinc/35/00/42/370350042.db2.gz PVKXKIWEHXIEMG-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000310538076 370350047 /nfs/dbraw/zinc/35/00/47/370350047.db2.gz PVKXKIWEHXIEMG-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccn1 ZINC000621774522 370520595 /nfs/dbraw/zinc/52/05/95/370520595.db2.gz WFLNJOMUNDWTIV-OCCSQVGLSA-N 2 1 233.359 1.949 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000621784752 370537856 /nfs/dbraw/zinc/53/78/56/370537856.db2.gz ULOIFBVVUPLEFZ-MJBXVCDLSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CCCCO1)C2 ZINC000621784753 370538376 /nfs/dbraw/zinc/53/83/76/370538376.db2.gz ULOIFBVVUPLEFZ-RDBSUJKOSA-N 2 1 238.375 1.759 20 0 BDADMP Cc1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)ccn1 ZINC000621775041 370521548 /nfs/dbraw/zinc/52/15/48/370521548.db2.gz DOPRDZSDBCNAGH-ZDUSSCGKSA-N 2 1 219.332 1.607 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccnc(C)c2)CC[C@H]1[NH3+] ZINC000621775350 370522651 /nfs/dbraw/zinc/52/26/51/370522651.db2.gz MQCPAHIKBWKTGK-ZIAGYGMSSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000621775294 370523202 /nfs/dbraw/zinc/52/32/02/370523202.db2.gz LBEUEAMZUARWOA-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000621776899 370525364 /nfs/dbraw/zinc/52/53/64/370525364.db2.gz ZNNSIYRSZMUUNU-RYUDHWBXSA-N 2 1 236.363 1.257 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782699 370532451 /nfs/dbraw/zinc/53/24/51/370532451.db2.gz RPVDZYMWOROMIS-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782699 370532453 /nfs/dbraw/zinc/53/24/53/370532453.db2.gz RPVDZYMWOROMIS-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCCCF)C2 ZINC000621784037 370535658 /nfs/dbraw/zinc/53/56/58/370535658.db2.gz IQQOOCCWWKJPGW-VXGBXAGGSA-N 2 1 214.328 1.939 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCc1ccncc1)C2 ZINC000621784316 370535700 /nfs/dbraw/zinc/53/57/00/370535700.db2.gz NBSKITPRTZEXAD-CABCVRRESA-N 2 1 245.370 1.827 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000621784316 370535701 /nfs/dbraw/zinc/53/57/01/370535701.db2.gz NBSKITPRTZEXAD-CABCVRRESA-N 2 1 245.370 1.827 20 0 BDADMP CC[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)[NH+]1CCCC1 ZINC000631040038 370997594 /nfs/dbraw/zinc/99/75/94/370997594.db2.gz OBFJVEOIUYNIKC-CYBMUJFWSA-N 2 1 249.358 1.751 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890873 371095901 /nfs/dbraw/zinc/09/59/01/371095901.db2.gz UFEXHDAMKQVRMW-IGQOVBAYSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890873 371095905 /nfs/dbraw/zinc/09/59/05/371095905.db2.gz UFEXHDAMKQVRMW-IGQOVBAYSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCCO1 ZINC000623928209 371159159 /nfs/dbraw/zinc/15/91/59/371159159.db2.gz HYZDGAVUUMICPG-GXTWGEPZSA-N 2 1 238.375 1.796 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000624122412 371323570 /nfs/dbraw/zinc/32/35/70/371323570.db2.gz QQXBFASUGHHXRZ-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC)C2)[C@H](C)C1 ZINC000624296577 371462238 /nfs/dbraw/zinc/46/22/38/371462238.db2.gz AXPANYWEQJLVID-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000624300602 371468313 /nfs/dbraw/zinc/46/83/13/371468313.db2.gz LZGQFRPPAVMFOM-KSTCHIGDSA-N 2 1 238.375 1.626 20 0 BDADMP COC(=O)c1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000133799706 372114184 /nfs/dbraw/zinc/11/41/84/372114184.db2.gz MNLJHOQUABGBJX-UHFFFAOYSA-N 2 1 236.315 1.254 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822906 372599983 /nfs/dbraw/zinc/59/99/83/372599983.db2.gz RPWTXTPAHAUKMR-FIQHERPVSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000631827671 372608027 /nfs/dbraw/zinc/60/80/27/372608027.db2.gz UHOLKMFNFISUIP-IHRRRGAJSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631859370 372658365 /nfs/dbraw/zinc/65/83/65/372658365.db2.gz NEJZSEIFODMLRB-WDEREUQCSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631859370 372658367 /nfs/dbraw/zinc/65/83/67/372658367.db2.gz NEJZSEIFODMLRB-WDEREUQCSA-N 2 1 200.326 1.223 20 0 BDADMP Cc1ccc(CC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000631860047 372659418 /nfs/dbraw/zinc/65/94/18/372659418.db2.gz GQCAREADYREEEB-GXTWGEPZSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ccc(CC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000631860047 372659426 /nfs/dbraw/zinc/65/94/26/372659426.db2.gz GQCAREADYREEEB-GXTWGEPZSA-N 2 1 218.344 1.959 20 0 BDADMP FC(F)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000631865239 372666630 /nfs/dbraw/zinc/66/66/30/372666630.db2.gz DJRUGGQQJUUDNN-NSHDSACASA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000631866179 372666921 /nfs/dbraw/zinc/66/69/21/372666921.db2.gz UWQPDUWVMNFGTL-MNOVXSKESA-N 2 1 248.317 1.342 20 0 BDADMP CCOCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888691 372673958 /nfs/dbraw/zinc/67/39/58/372673958.db2.gz YZCCZTWQRKGTFA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888691 372673964 /nfs/dbraw/zinc/67/39/64/372673964.db2.gz YZCCZTWQRKGTFA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1C ZINC000631880029 372678154 /nfs/dbraw/zinc/67/81/54/372678154.db2.gz LOTPHAWJRQFNAB-ZIAGYGMSSA-N 2 1 239.407 1.258 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631884357 372680376 /nfs/dbraw/zinc/68/03/76/372680376.db2.gz ISLDVCVWIRHDII-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631884357 372680378 /nfs/dbraw/zinc/68/03/78/372680378.db2.gz ISLDVCVWIRHDII-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887642 372681289 /nfs/dbraw/zinc/68/12/89/372681289.db2.gz SUFVXAZAYJQVNX-GXTWGEPZSA-N 2 1 249.358 1.865 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887642 372681294 /nfs/dbraw/zinc/68/12/94/372681294.db2.gz SUFVXAZAYJQVNX-GXTWGEPZSA-N 2 1 249.358 1.865 20 0 BDADMP COCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890080 372685078 /nfs/dbraw/zinc/68/50/78/372685078.db2.gz LZXDMOWLJNOQSO-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890080 372685081 /nfs/dbraw/zinc/68/50/81/372685081.db2.gz LZXDMOWLJNOQSO-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C[N@@H+](CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000379754779 373056003 /nfs/dbraw/zinc/05/60/03/373056003.db2.gz SUXOGWRBNMGPCR-JQWIXIFHSA-N 2 1 210.321 1.002 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459735856 206013530 /nfs/dbraw/zinc/01/35/30/206013530.db2.gz PVUZFGKCWNAEMY-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220956823 134314789 /nfs/dbraw/zinc/31/47/89/134314789.db2.gz DBIZBRJBORRAFW-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220956823 134314790 /nfs/dbraw/zinc/31/47/90/134314790.db2.gz DBIZBRJBORRAFW-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220956823 134314791 /nfs/dbraw/zinc/31/47/91/134314791.db2.gz DBIZBRJBORRAFW-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000353509716 183138861 /nfs/dbraw/zinc/13/88/61/183138861.db2.gz LGPJJDNBJVIJSP-IHRRRGAJSA-N 2 1 238.375 1.221 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H](C)O)C1 ZINC000336688733 169079484 /nfs/dbraw/zinc/07/94/84/169079484.db2.gz YQXIWZZFPUTYIQ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336688733 169079486 /nfs/dbraw/zinc/07/94/86/169079486.db2.gz YQXIWZZFPUTYIQ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336688733 169079488 /nfs/dbraw/zinc/07/94/88/169079488.db2.gz YQXIWZZFPUTYIQ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000120892270 169120005 /nfs/dbraw/zinc/12/00/05/169120005.db2.gz GFSDHEMPCHSARK-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP Oc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000336251177 183288924 /nfs/dbraw/zinc/28/89/24/183288924.db2.gz WLKJHXOHSIBROK-OAHLLOKOSA-N 2 1 246.354 1.968 20 0 BDADMP Oc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000336251177 183288927 /nfs/dbraw/zinc/28/89/27/183288927.db2.gz WLKJHXOHSIBROK-OAHLLOKOSA-N 2 1 246.354 1.968 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000132029544 169187941 /nfs/dbraw/zinc/18/79/41/169187941.db2.gz LGINVAAJUQMZOZ-CYBMUJFWSA-N 3 1 239.407 1.450 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000353973438 169196061 /nfs/dbraw/zinc/19/60/61/169196061.db2.gz PYBUBPNGHAQMNQ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000353973438 169196062 /nfs/dbraw/zinc/19/60/62/169196062.db2.gz PYBUBPNGHAQMNQ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000336401559 183339393 /nfs/dbraw/zinc/33/93/93/183339393.db2.gz LXPKLUVPBAGJRZ-LBPRGKRZSA-N 2 1 234.347 1.231 20 0 BDADMP CCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371932 169209117 /nfs/dbraw/zinc/20/91/17/169209117.db2.gz PRIWCRJLELUIOX-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000294990845 169388000 /nfs/dbraw/zinc/38/80/00/169388000.db2.gz HPFLOWBCIPKKAL-GFCCVEGCSA-N 2 1 247.342 1.250 20 0 BDADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000224129484 134341787 /nfs/dbraw/zinc/34/17/87/134341787.db2.gz SOFOEWPWPHHJPR-RWMBFGLXSA-N 3 1 225.380 1.236 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)C12CCC2 ZINC000308365364 532964663 /nfs/dbraw/zinc/96/46/63/532964663.db2.gz KMRPDMOQKOKLGL-QWHCGFSZSA-N 2 1 249.358 1.739 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000069724125 383842490 /nfs/dbraw/zinc/84/24/90/383842490.db2.gz GNXFQUAJIMQOLN-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000036901444 383918158 /nfs/dbraw/zinc/91/81/58/383918158.db2.gz DRWGANFIKHLMNO-UHFFFAOYSA-N 2 1 224.352 1.396 20 0 BDADMP Cc1ccsc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245291 383986269 /nfs/dbraw/zinc/98/62/69/383986269.db2.gz RVCCJDBXWCCRCM-SNVBAGLBSA-N 2 1 210.346 1.837 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000518547195 383997482 /nfs/dbraw/zinc/99/74/82/383997482.db2.gz YDTZXNKERHOTQT-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CO1 ZINC000647216427 384018864 /nfs/dbraw/zinc/01/88/64/384018864.db2.gz JTJULTKEMUHUFX-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CO1 ZINC000647216430 384019288 /nfs/dbraw/zinc/01/92/88/384019288.db2.gz JTJULTKEMUHUFX-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000643545103 384008909 /nfs/dbraw/zinc/00/89/09/384008909.db2.gz RIAPGVPNZUIXCV-SECBINFHSA-N 2 1 222.336 1.511 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643549175 384038344 /nfs/dbraw/zinc/03/83/44/384038344.db2.gz OXUOKQWMJIGKHA-FTYKPCCVSA-N 2 1 248.374 1.757 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309775169 384170609 /nfs/dbraw/zinc/17/06/09/384170609.db2.gz LNBQMGYWEPZYHX-ONGXEEELSA-N 2 1 232.318 1.962 20 0 BDADMP C[N@H+](Cc1cc[nH]n1)CC1CC[NH+](C)CC1 ZINC000093089349 384210433 /nfs/dbraw/zinc/21/04/33/384210433.db2.gz JLJDPUOOMPWQAB-UHFFFAOYSA-N 2 1 222.336 1.183 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCO)CCN1C ZINC000173528823 384225155 /nfs/dbraw/zinc/22/51/55/384225155.db2.gz SVJHTWCMDOBRNR-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCCCO)CC[N@@H+]1C ZINC000173528823 384225159 /nfs/dbraw/zinc/22/51/59/384225159.db2.gz SVJHTWCMDOBRNR-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCCCO)CC[N@H+]1C ZINC000173528823 384225164 /nfs/dbraw/zinc/22/51/64/384225164.db2.gz SVJHTWCMDOBRNR-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCO)CC[NH+]1C ZINC000173528823 384225167 /nfs/dbraw/zinc/22/51/67/384225167.db2.gz SVJHTWCMDOBRNR-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCO)CC[NH+]1C ZINC000173528823 384225172 /nfs/dbraw/zinc/22/51/72/384225172.db2.gz SVJHTWCMDOBRNR-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP Cn1cccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604559 384251956 /nfs/dbraw/zinc/25/19/56/384251956.db2.gz YSBFYUWWRIGZAT-AWEZNQCLSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1cccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604559 384251959 /nfs/dbraw/zinc/25/19/59/384251959.db2.gz YSBFYUWWRIGZAT-AWEZNQCLSA-N 2 1 247.386 1.943 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000083550000 384311917 /nfs/dbraw/zinc/31/19/17/384311917.db2.gz WYRRSQJASKEJAZ-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP C[N@@H+](CCOc1ccccc1)CC1CC[NH2+]CC1 ZINC000094024461 384285111 /nfs/dbraw/zinc/28/51/11/384285111.db2.gz WDOIIZGCFWVSTI-UHFFFAOYSA-N 2 1 248.370 1.997 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOC(C)C)C1 ZINC000173921973 384288828 /nfs/dbraw/zinc/28/88/28/384288828.db2.gz UBOYXHDSIFYJKC-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000300230568 384332979 /nfs/dbraw/zinc/33/29/79/384332979.db2.gz BHQMOEHPLKPLMC-GRYCIOLGSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccn1C ZINC000050596243 384380215 /nfs/dbraw/zinc/38/02/15/384380215.db2.gz FTUQDVDQXNENGI-NSHDSACASA-N 2 1 209.337 1.455 20 0 BDADMP CC[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000181127986 384449566 /nfs/dbraw/zinc/44/95/66/384449566.db2.gz UMVOHTZEVCGZBA-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])c2ccccc21 ZINC000147856036 384455483 /nfs/dbraw/zinc/45/54/83/384455483.db2.gz MFUKYKDHABELAJ-CHWSQXEVSA-N 2 1 219.332 1.460 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCOCC1 ZINC000082544841 384430727 /nfs/dbraw/zinc/43/07/27/384430727.db2.gz VGZAXBZNHVMUBS-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@H](C)[N@@H+]1CCO[C@H](CN(C)C)C1 ZINC000181061083 384435214 /nfs/dbraw/zinc/43/52/14/384435214.db2.gz YBNUPTAIDQIACL-WDEREUQCSA-N 2 1 200.326 1.047 20 0 BDADMP C[C@H]1OCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000335663075 384472100 /nfs/dbraw/zinc/47/21/00/384472100.db2.gz LFPMDVKKJPZGNC-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000224621294 384480649 /nfs/dbraw/zinc/48/06/49/384480649.db2.gz GRVPJQXRTHZVOF-UWVGGRQHSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCSC1 ZINC000224621294 384480653 /nfs/dbraw/zinc/48/06/53/384480653.db2.gz GRVPJQXRTHZVOF-UWVGGRQHSA-N 2 1 200.351 1.163 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000643056777 384559446 /nfs/dbraw/zinc/55/94/46/384559446.db2.gz DPYFNAONGKKWHL-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccc2c(c1)CCC2 ZINC000306020791 384565458 /nfs/dbraw/zinc/56/54/58/384565458.db2.gz NWUMQTLKOUMEBW-UHFFFAOYSA-N 2 1 248.370 1.582 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423084327 384566915 /nfs/dbraw/zinc/56/69/15/384566915.db2.gz HRRGRUBOBYZHIM-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP Cn1cccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271867174 384650426 /nfs/dbraw/zinc/65/04/26/384650426.db2.gz WNWMUNITSWEUMH-UHFFFAOYSA-N 2 1 219.332 1.377 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000564823884 384661222 /nfs/dbraw/zinc/66/12/22/384661222.db2.gz RPGSSXKYNXBGJK-MNOVXSKESA-N 2 1 224.352 1.679 20 0 BDADMP C[N@H+]1CCN(CC[NH2+]CC2CC2)CC1(C)C ZINC000082485267 384684853 /nfs/dbraw/zinc/68/48/53/384684853.db2.gz OQAWTSZFEWGGFW-UHFFFAOYSA-N 2 1 225.380 1.012 20 0 BDADMP CCOCC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316070294 384726799 /nfs/dbraw/zinc/72/67/99/384726799.db2.gz HKDTYJCXWCSXLI-TUAOUCFPSA-N 2 1 214.353 1.471 20 0 BDADMP CCOCC[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316070294 384726802 /nfs/dbraw/zinc/72/68/02/384726802.db2.gz HKDTYJCXWCSXLI-TUAOUCFPSA-N 2 1 214.353 1.471 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647542729 384703210 /nfs/dbraw/zinc/70/32/10/384703210.db2.gz AXWMETNRWZLWHF-CHWSQXEVSA-N 2 1 248.374 1.621 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000309671302 384715819 /nfs/dbraw/zinc/71/58/19/384715819.db2.gz JYPWLBHPMUXMSW-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000309671302 384715826 /nfs/dbraw/zinc/71/58/26/384715826.db2.gz JYPWLBHPMUXMSW-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@H+]1CC[C@H](NCCC[NH3+])C[C@H]1c1ccccc1 ZINC000423187679 384719891 /nfs/dbraw/zinc/71/98/91/384719891.db2.gz LFBJXKYSXWWKCT-GJZGRUSLSA-N 2 1 247.386 1.760 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449094430 384721786 /nfs/dbraw/zinc/72/17/86/384721786.db2.gz RXROJPXUDDMRNB-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309929952 384729142 /nfs/dbraw/zinc/72/91/42/384729142.db2.gz XLDPRLKNKDWMGV-XQQFMLRXSA-N 2 1 227.396 1.256 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243817 384738057 /nfs/dbraw/zinc/73/80/57/384738057.db2.gz HPZCPULEFGPAFR-VXGBXAGGSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccccn1 ZINC000289577372 384755745 /nfs/dbraw/zinc/75/57/45/384755745.db2.gz QYODYHTUBKFYCQ-AAEUAGOBSA-N 2 1 249.358 1.187 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000309986450 384767373 /nfs/dbraw/zinc/76/73/73/384767373.db2.gz YMQWNUGIIBWUOT-FRRDWIJNSA-N 2 1 228.380 1.730 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000361816282 384818011 /nfs/dbraw/zinc/81/80/11/384818011.db2.gz XKEAPAPPRGEQJS-AAVRWANBSA-N 2 1 242.407 1.976 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000301013882 384830312 /nfs/dbraw/zinc/83/03/12/384830312.db2.gz ORZTWVSJRHLGPG-SNVBAGLBSA-N 2 1 214.353 1.484 20 0 BDADMP CCc1cc(NCC[N@@H+](C)CC)nc(C)[nH+]1 ZINC000084082064 384835350 /nfs/dbraw/zinc/83/53/50/384835350.db2.gz ASPXEMFSUNLISB-UHFFFAOYSA-N 2 1 222.336 1.711 20 0 BDADMP CCc1cc(NCC[N@H+](C)CC)nc(C)[nH+]1 ZINC000084082064 384835352 /nfs/dbraw/zinc/83/53/52/384835352.db2.gz ASPXEMFSUNLISB-UHFFFAOYSA-N 2 1 222.336 1.711 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(F)cc1 ZINC000107787202 384784571 /nfs/dbraw/zinc/78/45/71/384784571.db2.gz YTADNNGRCGGJAD-LBPRGKRZSA-N 2 1 210.296 1.899 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330100 384794181 /nfs/dbraw/zinc/79/41/81/384794181.db2.gz QMNHRBYAQXCAFP-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330100 384794183 /nfs/dbraw/zinc/79/41/83/384794183.db2.gz QMNHRBYAQXCAFP-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000397331968 384796082 /nfs/dbraw/zinc/79/60/82/384796082.db2.gz RHHZQBMFDJUKJK-MROQNXINSA-N 2 1 226.364 1.328 20 0 BDADMP CC[C@@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000308594610 384836964 /nfs/dbraw/zinc/83/69/64/384836964.db2.gz XUCXHQLBALZZEM-NSHDSACASA-N 2 1 200.326 1.095 20 0 BDADMP CC[NH+](CC)CCCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336755829 384841843 /nfs/dbraw/zinc/84/18/43/384841843.db2.gz GNLGIAKQYNXRBD-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336755829 384841853 /nfs/dbraw/zinc/84/18/53/384841853.db2.gz GNLGIAKQYNXRBD-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000310120884 384844910 /nfs/dbraw/zinc/84/49/10/384844910.db2.gz DOTMKUBCLKMNJJ-ZIAGYGMSSA-N 2 1 240.391 1.590 20 0 BDADMP CCCc1[nH+]ccn1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310126676 384846229 /nfs/dbraw/zinc/84/62/29/384846229.db2.gz WTHPXCWSXBVNEN-GFCCVEGCSA-N 2 1 237.347 1.291 20 0 BDADMP CCCc1[nH+]ccn1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310126676 384846236 /nfs/dbraw/zinc/84/62/36/384846236.db2.gz WTHPXCWSXBVNEN-GFCCVEGCSA-N 2 1 237.347 1.291 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000423403006 384857587 /nfs/dbraw/zinc/85/75/87/384857587.db2.gz WYCCYSCYENSWAM-WOPDTQHZSA-N 2 1 236.363 1.731 20 0 BDADMP C[C@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358259137 384868535 /nfs/dbraw/zinc/86/85/35/384868535.db2.gz ULKDDHCJKLFZDQ-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](CC1CCCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358259137 384868548 /nfs/dbraw/zinc/86/85/48/384868548.db2.gz ULKDDHCJKLFZDQ-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000306016299 384916720 /nfs/dbraw/zinc/91/67/20/384916720.db2.gz RYPDKCRVIWFVOZ-RDBSUJKOSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCOC1 ZINC000119658805 384924988 /nfs/dbraw/zinc/92/49/88/384924988.db2.gz BDNVCJQHOBEWSC-NEPJUHHUSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)c1[nH+]ccn1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310258711 384929980 /nfs/dbraw/zinc/92/99/80/384929980.db2.gz HHAJCCZYIFVYHL-LBPRGKRZSA-N 2 1 237.347 1.462 20 0 BDADMP CC(C)c1[nH+]ccn1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310258711 384929984 /nfs/dbraw/zinc/92/99/84/384929984.db2.gz HHAJCCZYIFVYHL-LBPRGKRZSA-N 2 1 237.347 1.462 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128100626 384994026 /nfs/dbraw/zinc/99/40/26/384994026.db2.gz AWBOTEDFUAKKNQ-UONOGXRCSA-N 2 1 233.359 1.742 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404472526 385017676 /nfs/dbraw/zinc/01/76/76/385017676.db2.gz SIYWXXOEJHEMNF-MXWKQRLJSA-N 2 1 239.388 1.948 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404472526 385017682 /nfs/dbraw/zinc/01/76/82/385017682.db2.gz SIYWXXOEJHEMNF-MXWKQRLJSA-N 2 1 239.388 1.948 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)C1 ZINC000300930200 385053772 /nfs/dbraw/zinc/05/37/72/385053772.db2.gz QXAYOJNPSRTURZ-JHJVBQTASA-N 2 1 228.380 1.859 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)C1 ZINC000300930200 385053783 /nfs/dbraw/zinc/05/37/83/385053783.db2.gz QXAYOJNPSRTURZ-JHJVBQTASA-N 2 1 228.380 1.859 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)O ZINC000340500032 385076295 /nfs/dbraw/zinc/07/62/95/385076295.db2.gz DSDHKCPFKCJTRT-NSHDSACASA-N 2 1 214.353 1.220 20 0 BDADMP C1CC12C[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424181272 385109070 /nfs/dbraw/zinc/10/90/70/385109070.db2.gz BTJNLRXZRCSBOR-IJLUTSLNSA-N 2 1 206.333 1.755 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000309141383 385109342 /nfs/dbraw/zinc/10/93/42/385109342.db2.gz HHKVHPDZDLICBJ-AAEUAGOBSA-N 2 1 208.349 1.716 20 0 BDADMP C1CC12C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424181278 385109506 /nfs/dbraw/zinc/10/95/06/385109506.db2.gz BTJNLRXZRCSBOR-UTUOFQBUSA-N 2 1 206.333 1.755 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2cnccn2)CC[N@H+]1C ZINC000341883024 385114032 /nfs/dbraw/zinc/11/40/32/385114032.db2.gz TZKJPRVMKUMOMR-VXGBXAGGSA-N 2 1 234.347 1.091 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2ccccn2)CC[N@H+]1C ZINC000129521972 385158593 /nfs/dbraw/zinc/15/85/93/385158593.db2.gz PMHDAMZRJLRMEV-TZMCWYRMSA-N 2 1 233.359 1.696 20 0 BDADMP FC1(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479793 385159570 /nfs/dbraw/zinc/15/95/70/385159570.db2.gz USUWSCIMFWBJFG-RYUDHWBXSA-N 2 1 226.339 1.953 20 0 BDADMP FC1(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479793 385159572 /nfs/dbraw/zinc/15/95/72/385159572.db2.gz USUWSCIMFWBJFG-RYUDHWBXSA-N 2 1 226.339 1.953 20 0 BDADMP FC1(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479792 385159771 /nfs/dbraw/zinc/15/97/71/385159771.db2.gz USUWSCIMFWBJFG-NWDGAFQWSA-N 2 1 226.339 1.953 20 0 BDADMP FC1(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479792 385159774 /nfs/dbraw/zinc/15/97/74/385159774.db2.gz USUWSCIMFWBJFG-NWDGAFQWSA-N 2 1 226.339 1.953 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@H](C)C1 ZINC000424320048 385160801 /nfs/dbraw/zinc/16/08/01/385160801.db2.gz IPTCDMJSBDZZMZ-GRYCIOLGSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@]1(C)CCCO1 ZINC000559767187 385165274 /nfs/dbraw/zinc/16/52/74/385165274.db2.gz QWXYEGPKTVCWID-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000647482691 385211120 /nfs/dbraw/zinc/21/11/20/385211120.db2.gz YQXFEIDDGZWMDL-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000336352567 385240624 /nfs/dbraw/zinc/24/06/24/385240624.db2.gz YMWWKQCRULNQHY-LBPRGKRZSA-N 2 1 224.348 1.405 20 0 BDADMP CON1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000323070671 385242640 /nfs/dbraw/zinc/24/26/40/385242640.db2.gz PIOLQQCAYBKULI-YPMHNXCESA-N 2 1 241.379 1.085 20 0 BDADMP CON1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000323070671 385242643 /nfs/dbraw/zinc/24/26/43/385242643.db2.gz PIOLQQCAYBKULI-YPMHNXCESA-N 2 1 241.379 1.085 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482504 385205434 /nfs/dbraw/zinc/20/54/34/385205434.db2.gz KLMDIUJMNVPOGW-UHFFFAOYSA-N 3 1 237.391 1.202 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+](C1CC1)C1CCNCC1 ZINC000647482504 385205441 /nfs/dbraw/zinc/20/54/41/385205441.db2.gz KLMDIUJMNVPOGW-UHFFFAOYSA-N 2 1 237.391 1.202 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+](C1CC1)C1CCNCC1 ZINC000647482504 385205448 /nfs/dbraw/zinc/20/54/48/385205448.db2.gz KLMDIUJMNVPOGW-UHFFFAOYSA-N 2 1 237.391 1.202 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000299899240 385284650 /nfs/dbraw/zinc/28/46/50/385284650.db2.gz YEBKGIWTEFFBGG-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000299899240 385284655 /nfs/dbraw/zinc/28/46/55/385284655.db2.gz YEBKGIWTEFFBGG-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP COCC(C)(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000179421905 385374020 /nfs/dbraw/zinc/37/40/20/385374020.db2.gz LRPCEKGMKSEOKJ-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1cncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000299932446 385326811 /nfs/dbraw/zinc/32/68/11/385326811.db2.gz YHTRSBVMKSCJRN-KKUMJFAQSA-N 2 1 245.370 1.949 20 0 BDADMP Cc1nn(C(C)C)cc1C[N@H+](C)CCC[NH3+] ZINC000647496997 385404588 /nfs/dbraw/zinc/40/45/88/385404588.db2.gz MMDWZALCGLUZRG-UHFFFAOYSA-N 2 1 224.352 1.553 20 0 BDADMP Cc1nn(C(C)C)cc1C[N@@H+](C)CCC[NH3+] ZINC000647496997 385404590 /nfs/dbraw/zinc/40/45/90/385404590.db2.gz MMDWZALCGLUZRG-UHFFFAOYSA-N 2 1 224.352 1.553 20 0 BDADMP CC[C@H]1C[N@H+](Cc2c[nH]nc2C)CC[C@@H]1[NH3+] ZINC000647498436 385419970 /nfs/dbraw/zinc/41/99/70/385419970.db2.gz HBYCHEXNADCWDL-JQWIXIFHSA-N 2 1 222.336 1.277 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2C)CC[C@@H]1[NH3+] ZINC000647498436 385419974 /nfs/dbraw/zinc/41/99/74/385419974.db2.gz HBYCHEXNADCWDL-JQWIXIFHSA-N 2 1 222.336 1.277 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2c[nH]nc2C)CC[C@H]1[NH3+] ZINC000647498438 385420431 /nfs/dbraw/zinc/42/04/31/385420431.db2.gz HBYCHEXNADCWDL-ZYHUDNBSSA-N 2 1 222.336 1.277 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2C)CC[C@H]1[NH3+] ZINC000647498438 385420432 /nfs/dbraw/zinc/42/04/32/385420432.db2.gz HBYCHEXNADCWDL-ZYHUDNBSSA-N 2 1 222.336 1.277 20 0 BDADMP CC[C@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000309165326 385445321 /nfs/dbraw/zinc/44/53/21/385445321.db2.gz ISRMDVLCGBCYMW-RYUDHWBXSA-N 2 1 207.321 1.970 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182187394 385433044 /nfs/dbraw/zinc/43/30/44/385433044.db2.gz ZXSAYAPZPNXNSJ-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP CO[C@@H](C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182187394 385433048 /nfs/dbraw/zinc/43/30/48/385433048.db2.gz ZXSAYAPZPNXNSJ-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP CO[C@@H](C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182187394 385433050 /nfs/dbraw/zinc/43/30/50/385433050.db2.gz ZXSAYAPZPNXNSJ-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP CO[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000336773911 385495508 /nfs/dbraw/zinc/49/55/08/385495508.db2.gz WLENNONAIDLJRE-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000172387005 385530196 /nfs/dbraw/zinc/53/01/96/385530196.db2.gz SLYBPAORHFYAMK-ZDUSSCGKSA-N 2 1 227.396 1.354 20 0 BDADMP CC[C@](C)(C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)OC ZINC000318959087 385531620 /nfs/dbraw/zinc/53/16/20/385531620.db2.gz CGJBBZDYTXASNE-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](NCCCn1ccnc1)c1ccon1 ZINC000309423376 385577958 /nfs/dbraw/zinc/57/79/58/385577958.db2.gz KCUJYUFXBNHOGD-SNVBAGLBSA-N 2 1 220.276 1.612 20 0 BDADMP CC(C)OCCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000309474387 385603339 /nfs/dbraw/zinc/60/33/39/385603339.db2.gz RPMYXYLKBCNBDI-GFCCVEGCSA-N 2 1 216.369 1.765 20 0 BDADMP FCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336680074 385626146 /nfs/dbraw/zinc/62/61/46/385626146.db2.gz IUDCCRMJPNSTKJ-RYUDHWBXSA-N 2 1 214.328 1.953 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000082645556 385627177 /nfs/dbraw/zinc/62/71/77/385627177.db2.gz ZOSDDKYYVJHOQR-WCQYABFASA-N 2 1 219.332 1.641 20 0 BDADMP C[C@@]1(C[N@H+]2CCCSCC2)CC[NH2+]C1 ZINC000062911600 385611775 /nfs/dbraw/zinc/61/17/75/385611775.db2.gz WFMYGNGACPZHRU-LLVKDONJSA-N 2 1 214.378 1.425 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCCCF)C1 ZINC000336681967 385638798 /nfs/dbraw/zinc/63/87/98/385638798.db2.gz HYFSCKLIHKJPIC-QWRGUYRKSA-N 2 1 202.317 1.795 20 0 BDADMP CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000182213341 385644916 /nfs/dbraw/zinc/64/49/16/385644916.db2.gz DIMRCJPPWALXQW-TUAOUCFPSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182213341 385644919 /nfs/dbraw/zinc/64/49/19/385644919.db2.gz DIMRCJPPWALXQW-TUAOUCFPSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182213341 385644923 /nfs/dbraw/zinc/64/49/23/385644923.db2.gz DIMRCJPPWALXQW-TUAOUCFPSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182213341 385644927 /nfs/dbraw/zinc/64/49/27/385644927.db2.gz DIMRCJPPWALXQW-TUAOUCFPSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182213341 385644928 /nfs/dbraw/zinc/64/49/28/385644928.db2.gz DIMRCJPPWALXQW-TUAOUCFPSA-N 2 1 214.353 1.436 20 0 BDADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](O)C[NH3+] ZINC000336734110 385656211 /nfs/dbraw/zinc/65/62/11/385656211.db2.gz HDHWHIHUAJZSOF-VIFPVBQESA-N 2 1 246.713 1.231 20 0 BDADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](O)C[NH3+] ZINC000336734110 385656214 /nfs/dbraw/zinc/65/62/14/385656214.db2.gz HDHWHIHUAJZSOF-VIFPVBQESA-N 2 1 246.713 1.231 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1C ZINC000184530592 385676684 /nfs/dbraw/zinc/67/66/84/385676684.db2.gz VMSAFADAAIQHOA-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCCOC1)C1CCCCC1 ZINC000414853177 385687281 /nfs/dbraw/zinc/68/72/81/385687281.db2.gz SAQOSVJHEFYHNX-OCCSQVGLSA-N 2 1 240.391 1.910 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291778536 385698699 /nfs/dbraw/zinc/69/86/99/385698699.db2.gz UPLVOZYFLDQRMI-VIFPVBQESA-N 2 1 224.352 1.314 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309567736 385702759 /nfs/dbraw/zinc/70/27/59/385702759.db2.gz MRXMHTPKIKEBKT-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414858983 385734639 /nfs/dbraw/zinc/73/46/39/385734639.db2.gz AEKRGUPVJVTENX-WCQYABFASA-N 2 1 226.364 1.533 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000309646986 385765895 /nfs/dbraw/zinc/76/58/95/385765895.db2.gz MOOQKPDLYHIZAN-IJLUTSLNSA-N 2 1 228.380 1.323 20 0 BDADMP CCC[NH2+]CC[NH2+]CCCc1ccc(C)nc1 ZINC000414864131 385767034 /nfs/dbraw/zinc/76/70/34/385767034.db2.gz CPIKFZZHJCPZRM-UHFFFAOYSA-N 2 1 235.375 1.912 20 0 BDADMP C[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309648207 385767715 /nfs/dbraw/zinc/76/77/15/385767715.db2.gz MZPKXGUHUDYNGI-YNEHKIRRSA-N 2 1 225.380 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309648207 385767718 /nfs/dbraw/zinc/76/77/18/385767718.db2.gz MZPKXGUHUDYNGI-YNEHKIRRSA-N 2 1 225.380 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309648207 385767722 /nfs/dbraw/zinc/76/77/22/385767722.db2.gz MZPKXGUHUDYNGI-YNEHKIRRSA-N 2 1 225.380 1.010 20 0 BDADMP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]C2)cn1 ZINC000414865565 385770483 /nfs/dbraw/zinc/77/04/83/385770483.db2.gz DFHVOFHQWWINFY-ZDUSSCGKSA-N 2 1 219.332 1.274 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000414944723 385784264 /nfs/dbraw/zinc/78/42/64/385784264.db2.gz QGVHYMULYHWNDS-SYQHCUMBSA-N 2 1 239.407 1.304 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000414944723 385784268 /nfs/dbraw/zinc/78/42/68/385784268.db2.gz QGVHYMULYHWNDS-SYQHCUMBSA-N 3 1 239.407 1.304 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000414944723 385784271 /nfs/dbraw/zinc/78/42/71/385784271.db2.gz QGVHYMULYHWNDS-SYQHCUMBSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856851 385720600 /nfs/dbraw/zinc/72/06/00/385720600.db2.gz AZCDGWLRBFNPGZ-OCCSQVGLSA-N 2 1 233.359 1.807 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000336711251 385800554 /nfs/dbraw/zinc/80/05/54/385800554.db2.gz PQPMZUYIONZPMC-STQMWFEESA-N 2 1 237.347 1.739 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)CC(F)F ZINC000647800743 385808438 /nfs/dbraw/zinc/80/84/38/385808438.db2.gz JPWNTNOZTSXNJS-LPEHRKFASA-N 2 1 220.307 1.865 20 0 BDADMP CCC[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336714235 385808854 /nfs/dbraw/zinc/80/88/54/385808854.db2.gz WAFNYOAZQIGPJA-AVGNSLFASA-N 2 1 210.365 1.964 20 0 BDADMP CC[N@@H+](C[C@H](O)CN(C)C1CC1)CC(C)(C)C ZINC000336725451 385842577 /nfs/dbraw/zinc/84/25/77/385842577.db2.gz VCSZBLREVKEUBK-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)CC(C)(C)C ZINC000336725451 385842579 /nfs/dbraw/zinc/84/25/79/385842579.db2.gz VCSZBLREVKEUBK-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)CC(C)(C)C ZINC000336725451 385842582 /nfs/dbraw/zinc/84/25/82/385842582.db2.gz VCSZBLREVKEUBK-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000336725451 385842586 /nfs/dbraw/zinc/84/25/86/385842586.db2.gz VCSZBLREVKEUBK-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000336725451 385842587 /nfs/dbraw/zinc/84/25/87/385842587.db2.gz VCSZBLREVKEUBK-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000366630317 385855141 /nfs/dbraw/zinc/85/51/41/385855141.db2.gz QPNUOTUPCKJBOI-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCN1 ZINC000647842486 385892159 /nfs/dbraw/zinc/89/21/59/385892159.db2.gz BTTOKQMMCHUJHC-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1 ZINC000647842486 385892164 /nfs/dbraw/zinc/89/21/64/385892164.db2.gz BTTOKQMMCHUJHC-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP COc1ccsc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414963581 385898048 /nfs/dbraw/zinc/89/80/48/385898048.db2.gz UFXSRFCKWYBYTB-VHSXEESVSA-N 2 1 240.372 1.844 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647815513 385868124 /nfs/dbraw/zinc/86/81/24/385868124.db2.gz UOHOUMCSDUQVFZ-WCQYABFASA-N 2 1 249.358 1.087 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647815513 385868127 /nfs/dbraw/zinc/86/81/27/385868127.db2.gz UOHOUMCSDUQVFZ-WCQYABFASA-N 2 1 249.358 1.087 20 0 BDADMP Cc1noc([C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000647832472 385883344 /nfs/dbraw/zinc/88/33/44/385883344.db2.gz KQTXERKGICJQIO-DTWKUNHWSA-N 2 1 238.335 1.498 20 0 BDADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)[C@@H]1CCCCO1 ZINC000335017312 385976010 /nfs/dbraw/zinc/97/60/10/385976010.db2.gz HZYABUZJYZTGQV-ZDUSSCGKSA-N 2 1 238.375 1.774 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@H+]1C ZINC000335021091 385980653 /nfs/dbraw/zinc/98/06/53/385980653.db2.gz BCCGSEAGSIWXJC-QWHCGFSZSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1C ZINC000335021091 385980657 /nfs/dbraw/zinc/98/06/57/385980657.db2.gz BCCGSEAGSIWXJC-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OC)c1 ZINC000414972645 385987958 /nfs/dbraw/zinc/98/79/58/385987958.db2.gz BDIYDTBXFSGUML-NSHDSACASA-N 2 1 208.305 1.522 20 0 BDADMP COC(=O)c1cc(C[NH2+]C[C@@H](C)C[NH3+])oc1C ZINC000414881049 385989373 /nfs/dbraw/zinc/98/93/73/385989373.db2.gz RVYLCDDYIOYHKT-QMMMGPOBSA-N 2 1 240.303 1.059 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)C2CC2)C1 ZINC000425417308 385992883 /nfs/dbraw/zinc/99/28/83/385992883.db2.gz HKGOQSWKQQNBCI-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](OC)C2CC2)C1 ZINC000425417308 385992888 /nfs/dbraw/zinc/99/28/88/385992888.db2.gz HKGOQSWKQQNBCI-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000425417308 385992896 /nfs/dbraw/zinc/99/28/96/385992896.db2.gz HKGOQSWKQQNBCI-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000335040008 385931892 /nfs/dbraw/zinc/93/18/92/385931892.db2.gz NYOKTZXOTSDIQM-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1cc(F)c(F)cc1F ZINC000414878190 385934461 /nfs/dbraw/zinc/93/44/61/385934461.db2.gz OBMCTJSKINTTFD-SSDOTTSWSA-N 2 1 232.249 1.788 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000335044224 385939613 /nfs/dbraw/zinc/93/96/13/385939613.db2.gz UTXJVNLRUQPGNQ-NWDGAFQWSA-N 2 1 226.364 1.269 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000425399847 385948627 /nfs/dbraw/zinc/94/86/27/385948627.db2.gz FDGKFPTYVTURIR-WCQYABFASA-N 2 1 226.364 1.295 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000304326607 385952358 /nfs/dbraw/zinc/95/23/58/385952358.db2.gz CXXKEOUASYVYRY-VXGBXAGGSA-N 2 1 222.336 1.003 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](OC)C1 ZINC000338307403 385953291 /nfs/dbraw/zinc/95/32/91/385953291.db2.gz NXHGAWFTHRTZEQ-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](OC)C1 ZINC000338307403 385953297 /nfs/dbraw/zinc/95/32/97/385953297.db2.gz NXHGAWFTHRTZEQ-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@](O)(CC)C1 ZINC000338326536 385959646 /nfs/dbraw/zinc/95/96/46/385959646.db2.gz ZWYKXIJERRAEEA-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP COC[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000220373039 385965128 /nfs/dbraw/zinc/96/51/28/385965128.db2.gz FFQPPOQSNNTSNE-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP CCn1nccc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414970954 385966591 /nfs/dbraw/zinc/96/65/91/385966591.db2.gz KYUJZYOYOCKTAM-GFCCVEGCSA-N 2 1 236.363 1.381 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1cc(F)ccc1C ZINC000414974275 386009372 /nfs/dbraw/zinc/00/93/72/386009372.db2.gz DIBCVKRVFBQJPV-LBPRGKRZSA-N 2 1 210.296 1.961 20 0 BDADMP C[C@H](CC1CCCC1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979008 386048901 /nfs/dbraw/zinc/04/89/01/386048901.db2.gz SZPGZOSIKFOXAA-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](C(=O)N1CC[NH2+]Cc2ccccc21)[C@H](C)[NH3+] ZINC000295239981 385996230 /nfs/dbraw/zinc/99/62/30/385996230.db2.gz SPMFEYNUHOYVFN-MNOVXSKESA-N 2 1 247.342 1.106 20 0 BDADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cn1 ZINC000414301846 386108306 /nfs/dbraw/zinc/10/83/06/386108306.db2.gz BXUYTOYUISPUQQ-GFCCVEGCSA-N 2 1 248.374 1.470 20 0 BDADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cn1 ZINC000414301846 386108311 /nfs/dbraw/zinc/10/83/11/386108311.db2.gz BXUYTOYUISPUQQ-GFCCVEGCSA-N 2 1 248.374 1.470 20 0 BDADMP C[NH2+]CC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414663668 386111185 /nfs/dbraw/zinc/11/11/85/386111185.db2.gz BQIGHBNQAIERCT-CYBMUJFWSA-N 3 1 227.396 1.291 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414986582 386111972 /nfs/dbraw/zinc/11/19/72/386111972.db2.gz XTZKSKUGMRFGOT-LLVKDONJSA-N 2 1 218.304 1.390 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+](CC(C)(C)O)C1CC1 ZINC000189889580 386114923 /nfs/dbraw/zinc/11/49/23/386114923.db2.gz YIVWIDYWCOJAGT-LBPRGKRZSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+](CC(C)(C)O)C1CC1 ZINC000189889580 386114930 /nfs/dbraw/zinc/11/49/30/386114930.db2.gz YIVWIDYWCOJAGT-LBPRGKRZSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+](CC(C)(C)O)C1CC1 ZINC000189889580 386114934 /nfs/dbraw/zinc/11/49/34/386114934.db2.gz YIVWIDYWCOJAGT-LBPRGKRZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cn[nH]c1 ZINC000340524379 386121486 /nfs/dbraw/zinc/12/14/86/386121486.db2.gz IYHAAAYDMPJFTH-NRUUGDAUSA-N 2 1 234.347 1.543 20 0 BDADMP C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cn[nH]c1 ZINC000340524379 386121493 /nfs/dbraw/zinc/12/14/93/386121493.db2.gz IYHAAAYDMPJFTH-NRUUGDAUSA-N 2 1 234.347 1.543 20 0 BDADMP Cc1cccc(OCC[N@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000647873423 386121927 /nfs/dbraw/zinc/12/19/27/386121927.db2.gz HSMRWAGDYLPBKI-AWEZNQCLSA-N 2 1 248.370 1.915 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000414209258 386062490 /nfs/dbraw/zinc/06/24/90/386062490.db2.gz SJFDNYQYLJWHRS-IGQOVBAYSA-N 2 1 242.407 1.977 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414887417 386089011 /nfs/dbraw/zinc/08/90/11/386089011.db2.gz DNVPGAASVTWRIJ-GFCCVEGCSA-N 2 1 244.342 1.470 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)[C@@H](C)O1 ZINC000414282469 386093272 /nfs/dbraw/zinc/09/32/72/386093272.db2.gz NXBJNCIQQDFOKC-RYMFRWLXSA-N 2 1 240.391 1.730 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)[C@H](C)O1 ZINC000414282467 386093945 /nfs/dbraw/zinc/09/39/45/386093945.db2.gz NXBJNCIQQDFOKC-RKQHYHRCSA-N 2 1 240.391 1.730 20 0 BDADMP COC(=O)CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000130234572 386148150 /nfs/dbraw/zinc/14/81/50/386148150.db2.gz IGMLOICASFQLBS-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC000130951267 386190074 /nfs/dbraw/zinc/19/00/74/386190074.db2.gz ODVDMYXIPXTOQR-ZOBORPQBSA-N 2 1 238.375 1.615 20 0 BDADMP CC(C)[N@@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677743 386156342 /nfs/dbraw/zinc/15/63/42/386156342.db2.gz JMKGCMONHNYVCE-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400322427 386159407 /nfs/dbraw/zinc/15/94/07/386159407.db2.gz CIXZKMWVNBBSNS-RKDXNWHRSA-N 2 1 240.269 1.295 20 0 BDADMP [NH3+]CCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000414692697 386182503 /nfs/dbraw/zinc/18/25/03/386182503.db2.gz KVSICMFXBXAMOP-AWEZNQCLSA-N 2 1 234.343 1.317 20 0 BDADMP C1CC1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895282 386183140 /nfs/dbraw/zinc/18/31/40/386183140.db2.gz WQAAFYTZMFJGJH-AVGNSLFASA-N 2 1 208.349 1.907 20 0 BDADMP CCn1nc(C[NH2+][C@@H](C)CC[NH3+])c2ccccc21 ZINC000414895871 386191242 /nfs/dbraw/zinc/19/12/42/386191242.db2.gz NOZAGSPDWCLDOA-NSHDSACASA-N 2 1 246.358 1.883 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccnn1C ZINC000235073644 386132390 /nfs/dbraw/zinc/13/23/90/386132390.db2.gz AHHGVUFFIALTGP-QWRGUYRKSA-N 2 1 224.352 1.411 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414699781 386204112 /nfs/dbraw/zinc/20/41/12/386204112.db2.gz FONVKUSYBKVNBU-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000414700306 386205361 /nfs/dbraw/zinc/20/53/61/386205361.db2.gz JMGKEJKKPCCIIB-KBPBESRZSA-N 2 1 241.423 1.633 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H](C)O1 ZINC000414699417 386205525 /nfs/dbraw/zinc/20/55/25/386205525.db2.gz YOGDCOJRSNNUPN-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]CCn2ccnc2)c2ccccc21 ZINC000132045178 386218990 /nfs/dbraw/zinc/21/89/90/386218990.db2.gz RXJQXGXXNHKQFH-KGLIPLIRSA-N 2 1 242.326 1.618 20 0 BDADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCC[NH3+])C1 ZINC000414712646 386229766 /nfs/dbraw/zinc/22/97/66/386229766.db2.gz UXCMPICJZYUFFE-WDEREUQCSA-N 2 1 216.394 1.941 20 0 BDADMP CCC1(C[N@H+]2CCC[C@H](C[NH3+])C2)CCOCC1 ZINC000347112649 386232009 /nfs/dbraw/zinc/23/20/09/386232009.db2.gz RFYSPIMRVSRLMI-CYBMUJFWSA-N 2 1 240.391 1.864 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@H]1CCCN(c2ccccc2)C1 ZINC000414714492 386233336 /nfs/dbraw/zinc/23/33/36/386233336.db2.gz VTTFUQHIAZINMQ-HNNXBMFYSA-N 2 1 247.386 1.936 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415001965 386238740 /nfs/dbraw/zinc/23/87/40/386238740.db2.gz DAXREGGQXVGSPR-RYUDHWBXSA-N 2 1 244.342 1.698 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H](C)[NH3+] ZINC000415001963 386239434 /nfs/dbraw/zinc/23/94/34/386239434.db2.gz DAXREGGQXVGSPR-NWDGAFQWSA-N 2 1 244.342 1.698 20 0 BDADMP Oc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647883001 386241534 /nfs/dbraw/zinc/24/15/34/386241534.db2.gz YUVKUIKTSXDWFE-LBPRGKRZSA-N 2 1 246.354 1.402 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc3c2OCO3)CC[C@@H]1[NH3+] ZINC000347098907 386249905 /nfs/dbraw/zinc/24/99/05/386249905.db2.gz IXFMWPYAPUKQST-JQWIXIFHSA-N 2 1 248.326 1.584 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)CC[C@@H]1[NH3+] ZINC000347098907 386249908 /nfs/dbraw/zinc/24/99/08/386249908.db2.gz IXFMWPYAPUKQST-JQWIXIFHSA-N 2 1 248.326 1.584 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414696384 386196121 /nfs/dbraw/zinc/19/61/21/386196121.db2.gz HKQVSHASELNUAL-HZSPNIEDSA-N 2 1 241.423 1.774 20 0 BDADMP CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414733636 386295859 /nfs/dbraw/zinc/29/58/59/386295859.db2.gz JUYJYXRDJFQVOH-CHWSQXEVSA-N 2 1 227.396 1.421 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](CC[NH3+])C1 ZINC000414733636 386295865 /nfs/dbraw/zinc/29/58/65/386295865.db2.gz JUYJYXRDJFQVOH-CHWSQXEVSA-N 2 1 227.396 1.421 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414733642 386296264 /nfs/dbraw/zinc/29/62/64/386296264.db2.gz JUYJYXRDJFQVOH-STQMWFEESA-N 2 1 227.396 1.421 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](CC[NH3+])C1 ZINC000414733642 386296269 /nfs/dbraw/zinc/29/62/69/386296269.db2.gz JUYJYXRDJFQVOH-STQMWFEESA-N 2 1 227.396 1.421 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000265022764 386297792 /nfs/dbraw/zinc/29/77/92/386297792.db2.gz STOSQHKYDZRGRS-CYBMUJFWSA-N 2 1 233.359 1.508 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000265022764 386297795 /nfs/dbraw/zinc/29/77/95/386297795.db2.gz STOSQHKYDZRGRS-CYBMUJFWSA-N 2 1 233.359 1.508 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H](C)[NH3+] ZINC000415005175 386298322 /nfs/dbraw/zinc/29/83/22/386298322.db2.gz ISGCDIBWIVWTAS-WDEREUQCSA-N 2 1 245.330 1.093 20 0 BDADMP CC(C)n1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000414901875 386305052 /nfs/dbraw/zinc/30/50/52/386305052.db2.gz HCERARCVFQONQS-CYBMUJFWSA-N 2 1 236.363 1.696 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414901567 386306693 /nfs/dbraw/zinc/30/66/93/386306693.db2.gz GEMXWHOYWSOVIQ-RDBSUJKOSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414739816 386312492 /nfs/dbraw/zinc/31/24/92/386312492.db2.gz KMWGHAQLRWSNJM-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414739819 386313900 /nfs/dbraw/zinc/31/39/00/386313900.db2.gz KMWGHAQLRWSNJM-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2(CO)CC2)CC[NH2+]1 ZINC000414739218 386320754 /nfs/dbraw/zinc/32/07/54/386320754.db2.gz KDBUXVZEQOJIQB-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH2+]C(C)(C)C ZINC000414739144 386321529 /nfs/dbraw/zinc/32/15/29/386321529.db2.gz JYBMTERMIWWGRV-NWDGAFQWSA-N 2 1 227.396 1.399 20 0 BDADMP Cn1cncc1CC[N@@H+](C)CCCn1ccnc1 ZINC000289523076 386322707 /nfs/dbraw/zinc/32/27/07/386322707.db2.gz GCTRAKCHEJLICD-UHFFFAOYSA-N 3 1 247.346 1.181 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)CC[NH2+]1 ZINC000414740957 386322892 /nfs/dbraw/zinc/32/28/92/386322892.db2.gz LYJQWQGZZFUPOG-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428039476 386269443 /nfs/dbraw/zinc/26/94/43/386269443.db2.gz FGLYGPVADCYIQD-UONOGXRCSA-N 2 1 248.374 1.265 20 0 BDADMP C[C@H](O)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336654889 386272208 /nfs/dbraw/zinc/27/22/08/386272208.db2.gz KMPZYKGIIVFCFQ-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336654889 386272213 /nfs/dbraw/zinc/27/22/13/386272213.db2.gz KMPZYKGIIVFCFQ-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336654889 386272218 /nfs/dbraw/zinc/27/22/18/386272218.db2.gz KMPZYKGIIVFCFQ-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336654889 386272222 /nfs/dbraw/zinc/27/22/22/386272222.db2.gz KMPZYKGIIVFCFQ-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]C)c1ccccc1 ZINC000236887764 386324075 /nfs/dbraw/zinc/32/40/75/386324075.db2.gz XGSFDANIMPWQJO-ZDUSSCGKSA-N 2 1 249.358 1.015 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000414744858 386340024 /nfs/dbraw/zinc/34/00/24/386340024.db2.gz QHKWDNZGWMOVIU-ZIAGYGMSSA-N 2 1 241.423 1.632 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269151 386351267 /nfs/dbraw/zinc/35/12/67/386351267.db2.gz KJJZMIGXDMUTGQ-BETUJISGSA-N 2 1 248.374 1.458 20 0 BDADMP CC[C@@H]1CCC[C@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000414905101 386352831 /nfs/dbraw/zinc/35/28/31/386352831.db2.gz AQWYHDSNDNYPDU-OLZOCXBDSA-N 2 1 228.380 1.456 20 0 BDADMP CC[C@@H]1CCC[C@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000414905101 386352836 /nfs/dbraw/zinc/35/28/36/386352836.db2.gz AQWYHDSNDNYPDU-OLZOCXBDSA-N 2 1 228.380 1.456 20 0 BDADMP CC[C@H]1CCC[C@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000414905105 386352921 /nfs/dbraw/zinc/35/29/21/386352921.db2.gz AQWYHDSNDNYPDU-STQMWFEESA-N 2 1 228.380 1.456 20 0 BDADMP CC[C@H]1CCC[C@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000414905105 386352929 /nfs/dbraw/zinc/35/29/29/386352929.db2.gz AQWYHDSNDNYPDU-STQMWFEESA-N 2 1 228.380 1.456 20 0 BDADMP c1nc2c([nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000647933375 386354623 /nfs/dbraw/zinc/35/46/23/386354623.db2.gz MLCQJJQIUUVTPH-UHFFFAOYSA-N 2 1 214.272 1.363 20 0 BDADMP Cc1ncccc1C[NH2+]CCC[NH+](C)C ZINC000157087291 386379644 /nfs/dbraw/zinc/37/96/44/386379644.db2.gz YIKDQPTWVGMXLM-UHFFFAOYSA-N 2 1 207.321 1.431 20 0 BDADMP CO[C@]1(C)C[C@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647890705 386380654 /nfs/dbraw/zinc/38/06/54/386380654.db2.gz HVSCLYQPKLDMRQ-MBNYWOFBSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)COCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336697443 386381945 /nfs/dbraw/zinc/38/19/45/386381945.db2.gz SSWRIFNTCPBFLE-CQSZACIVSA-N 2 1 242.407 1.933 20 0 BDADMP CC(C)COCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336697443 386381951 /nfs/dbraw/zinc/38/19/51/386381951.db2.gz SSWRIFNTCPBFLE-CQSZACIVSA-N 2 1 242.407 1.933 20 0 BDADMP CC(C)COCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336697443 386381957 /nfs/dbraw/zinc/38/19/57/386381957.db2.gz SSWRIFNTCPBFLE-CQSZACIVSA-N 2 1 242.407 1.933 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)nc1 ZINC000414907316 386382543 /nfs/dbraw/zinc/38/25/43/386382543.db2.gz QHKZGKOWLUAQTB-AWEZNQCLSA-N 2 1 233.359 1.869 20 0 BDADMP [NH3+]CCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000335275614 386336744 /nfs/dbraw/zinc/33/67/44/386336744.db2.gz BQNTZDJOPZBUIN-GHMZBOCLSA-N 2 1 214.378 1.695 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](CCO)C2CCC2)CC[NH2+]1 ZINC000414744097 386338114 /nfs/dbraw/zinc/33/81/14/386338114.db2.gz HUMQKHLKXXMORA-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000397312741 386437125 /nfs/dbraw/zinc/43/71/25/386437125.db2.gz PKKOKHACEFXEJF-XJFOESAGSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000414767185 386440849 /nfs/dbraw/zinc/44/08/49/386440849.db2.gz IPCQQBHSMYRYRP-BZPMIXESSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+]CC[N@H+](CCO)CC1CCCCCC1 ZINC000414910524 386443542 /nfs/dbraw/zinc/44/35/42/386443542.db2.gz HHLMZTCRFLMIHG-UHFFFAOYSA-N 2 1 214.353 1.210 20 0 BDADMP [NH3+]CC[N@@H+](CCO)CC1CCCCCC1 ZINC000414910524 386443545 /nfs/dbraw/zinc/44/35/45/386443545.db2.gz HHLMZTCRFLMIHG-UHFFFAOYSA-N 2 1 214.353 1.210 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1(C)COC1 ZINC000336700024 386387802 /nfs/dbraw/zinc/38/78/02/386387802.db2.gz KXMIBHBGZFXXHF-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]1 ZINC000414754826 386394570 /nfs/dbraw/zinc/39/45/70/386394570.db2.gz SJGRTVBYHXQYCL-XDQVBPFNSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)CC[C@H]1CCCO1 ZINC000414757391 386402443 /nfs/dbraw/zinc/40/24/43/386402443.db2.gz LBTLKVJJSFVUNF-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CC[C@H]1CCCO1 ZINC000414757391 386402448 /nfs/dbraw/zinc/40/24/48/386402448.db2.gz LBTLKVJJSFVUNF-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H](O)CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000336732747 386405360 /nfs/dbraw/zinc/40/53/60/386405360.db2.gz ZTYFNWAGLBOIKA-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427790 386420556 /nfs/dbraw/zinc/42/05/56/386420556.db2.gz BOZFJUJYPPSTQH-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](O)CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339427790 386420558 /nfs/dbraw/zinc/42/05/58/386420558.db2.gz BOZFJUJYPPSTQH-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](O)CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339427790 386420561 /nfs/dbraw/zinc/42/05/61/386420561.db2.gz BOZFJUJYPPSTQH-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000414761947 386422438 /nfs/dbraw/zinc/42/24/38/386422438.db2.gz VCJJASVTVYFENC-XVIXHAIJSA-N 2 1 240.391 1.872 20 0 BDADMP Cc1ccnc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000336714822 386432320 /nfs/dbraw/zinc/43/23/20/386432320.db2.gz QORDRMBJYDLERG-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc12 ZINC000415010620 386476273 /nfs/dbraw/zinc/47/62/73/386476273.db2.gz PNYNBKAVADYNIH-SFYZADRCSA-N 2 1 233.319 1.092 20 0 BDADMP CC[C@H]1C[N@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000647934907 386481666 /nfs/dbraw/zinc/48/16/66/386481666.db2.gz UONSJNHFFPTHTM-VHSXEESVSA-N 2 1 236.306 1.327 20 0 BDADMP CC[C@H]1C[N@@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000647934907 386481673 /nfs/dbraw/zinc/48/16/73/386481673.db2.gz UONSJNHFFPTHTM-VHSXEESVSA-N 2 1 236.306 1.327 20 0 BDADMP Cc1ncncc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000519602146 386505370 /nfs/dbraw/zinc/50/53/70/386505370.db2.gz BQJGEIUEDCXKPV-DGCLKSJQSA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000519602146 386505376 /nfs/dbraw/zinc/50/53/76/386505376.db2.gz BQJGEIUEDCXKPV-DGCLKSJQSA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000519602146 386505379 /nfs/dbraw/zinc/50/53/79/386505379.db2.gz BQJGEIUEDCXKPV-DGCLKSJQSA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000519602146 386505383 /nfs/dbraw/zinc/50/53/83/386505383.db2.gz BQJGEIUEDCXKPV-DGCLKSJQSA-N 2 1 248.374 1.777 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899189 386509200 /nfs/dbraw/zinc/50/92/00/386509200.db2.gz CGSUNCAMWPRBDG-IHRRRGAJSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899189 386509204 /nfs/dbraw/zinc/50/92/04/386509204.db2.gz CGSUNCAMWPRBDG-IHRRRGAJSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448072 386516864 /nfs/dbraw/zinc/51/68/64/386516864.db2.gz LRWFAAXFMMVHGU-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+](C)C2CCNCC2)CC[NH2+]1 ZINC000335448072 386516870 /nfs/dbraw/zinc/51/68/70/386516870.db2.gz LRWFAAXFMMVHGU-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CCNCC2)CC[NH2+]1 ZINC000335448072 386516875 /nfs/dbraw/zinc/51/68/75/386516875.db2.gz LRWFAAXFMMVHGU-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C(C1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094439573 386453926 /nfs/dbraw/zinc/45/39/26/386453926.db2.gz AGZNLTBKAXDPRZ-AWEZNQCLSA-N 2 1 237.391 1.156 20 0 BDADMP C(C1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000094439573 386453930 /nfs/dbraw/zinc/45/39/30/386453930.db2.gz AGZNLTBKAXDPRZ-AWEZNQCLSA-N 2 1 237.391 1.156 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000453348622 386459013 /nfs/dbraw/zinc/45/90/13/386459013.db2.gz FVDNQNUPZUIZCM-ZOBORPQBSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977610 386577032 /nfs/dbraw/zinc/57/70/32/386577032.db2.gz FEVXJIIRLGZDJT-KGLIPLIRSA-N 2 1 239.407 1.308 20 0 BDADMP Cc1ncccc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415064749 386544470 /nfs/dbraw/zinc/54/44/70/386544470.db2.gz LLDHVKGVSMPSPD-CQSZACIVSA-N 2 1 233.359 1.997 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000415064992 386546843 /nfs/dbraw/zinc/54/68/43/386546843.db2.gz LXKKWEJYYOIKEX-CYBMUJFWSA-N 3 1 225.380 1.093 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])CC1CCCCCC1 ZINC000415066447 386547304 /nfs/dbraw/zinc/54/73/04/386547304.db2.gz IQBHJFKERLWVQG-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP C[N@H+](Cc1ccc(C2CC2)cc1)C[C@H](O)C[NH3+] ZINC000415069275 386550796 /nfs/dbraw/zinc/55/07/96/386550796.db2.gz OSJWXFQOSWCMEN-CQSZACIVSA-N 2 1 234.343 1.315 20 0 BDADMP Cc1cc[nH+]c(NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000228668252 386597479 /nfs/dbraw/zinc/59/74/79/386597479.db2.gz FHJVDJIANDMFQC-GFCCVEGCSA-N 2 1 223.320 1.115 20 0 BDADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1F ZINC000414794362 386558542 /nfs/dbraw/zinc/55/85/42/386558542.db2.gz LYWMNFYHBUWVQN-LBPRGKRZSA-N 2 1 240.322 1.907 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415072055 386562503 /nfs/dbraw/zinc/56/25/03/386562503.db2.gz VFXHSUYHKDJVSS-IJLUTSLNSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCCNC2)CC[NH2+]1 ZINC000415073544 386564780 /nfs/dbraw/zinc/56/47/80/386564780.db2.gz NPQCICIGZDHHSX-AGIUHOORSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])CC[NH2+]1 ZINC000414794987 386570446 /nfs/dbraw/zinc/57/04/46/386570446.db2.gz UMRXENSFHNMGSD-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H](CO)[N@@H+](CC1CCC1)CC1CC[NH2+]CC1 ZINC000415104765 386624488 /nfs/dbraw/zinc/62/44/88/386624488.db2.gz LNSWLANWAOUYCM-GFCCVEGCSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cccc2c1NCC2 ZINC000414810130 386627753 /nfs/dbraw/zinc/62/77/53/386627753.db2.gz WVXIKBVIAFZRSZ-UHFFFAOYSA-N 2 1 219.332 1.482 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000414811034 386633526 /nfs/dbraw/zinc/63/35/26/386633526.db2.gz VYTBYHSUOKAFNH-GFCCVEGCSA-N 2 1 208.280 1.653 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1cccc2c1NCC2 ZINC000415140711 386640273 /nfs/dbraw/zinc/64/02/73/386640273.db2.gz ZFZHHXOAJODMLK-UHFFFAOYSA-N 2 1 233.359 1.696 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc2c1NCC2 ZINC000415140711 386640280 /nfs/dbraw/zinc/64/02/80/386640280.db2.gz ZFZHHXOAJODMLK-UHFFFAOYSA-N 2 1 233.359 1.696 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@H]1CCSC1 ZINC000414818411 386656112 /nfs/dbraw/zinc/65/61/12/386656112.db2.gz VQZVUKNOPFDEQR-MNOVXSKESA-N 2 1 216.394 1.847 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H]1CCSC1 ZINC000414818410 386656569 /nfs/dbraw/zinc/65/65/69/386656569.db2.gz VQZVUKNOPFDEQR-GHMZBOCLSA-N 2 1 216.394 1.847 20 0 BDADMP CC[C@@H]([NH2+]CC[NH2+]C(C)(C)C)[C@@H]1CCCO1 ZINC000415087646 386606902 /nfs/dbraw/zinc/60/69/02/386606902.db2.gz WHPXGYIJLKFGIS-NEPJUHHUSA-N 2 1 228.380 1.922 20 0 BDADMP Cc1noc([C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000647951272 386657819 /nfs/dbraw/zinc/65/78/19/386657819.db2.gz UXZFFTDJGGDTMG-GXSJLCMTSA-N 2 1 238.335 1.500 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414833021 386709213 /nfs/dbraw/zinc/70/92/13/386709213.db2.gz FVHAYSOKIDQVBF-NSHDSACASA-N 2 1 222.336 1.197 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414833020 386710822 /nfs/dbraw/zinc/71/08/22/386710822.db2.gz FVHAYSOKIDQVBF-LLVKDONJSA-N 2 1 222.336 1.197 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414824367 386683652 /nfs/dbraw/zinc/68/36/52/386683652.db2.gz KIXVBMMRMGYWAJ-NSHDSACASA-N 2 1 224.323 1.956 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000352838037 386684509 /nfs/dbraw/zinc/68/45/09/386684509.db2.gz DGXKMIUJCUXOJP-UHFFFAOYSA-N 2 1 236.363 1.540 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000042471341 386686830 /nfs/dbraw/zinc/68/68/30/386686830.db2.gz LEQPRSXEEDVMLO-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP Cc1c([C@H](C)N[C@@H]2C[N@@H+](C)C[C@@H]2C)cnn1C ZINC000352846367 386712106 /nfs/dbraw/zinc/71/21/06/386712106.db2.gz OGWRSDJFZKCQOT-OUJBWJOFSA-N 2 1 236.363 1.329 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000414829229 386701367 /nfs/dbraw/zinc/70/13/67/386701367.db2.gz MABZYXKREJLOLF-NEPJUHHUSA-N 2 1 214.353 1.391 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1cc[nH]n1)CC[NH2+]CC2 ZINC000335544013 386727496 /nfs/dbraw/zinc/72/74/96/386727496.db2.gz QALFYZVMASQUCD-NSHDSACASA-N 2 1 234.347 1.374 20 0 BDADMP Cc1ncc(CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000344835773 386755865 /nfs/dbraw/zinc/75/58/65/386755865.db2.gz JODWVQHLVWVTIN-YGRLFVJLSA-N 2 1 246.358 1.357 20 0 BDADMP CCCC[N@@H+](CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000340712789 386759857 /nfs/dbraw/zinc/75/98/57/386759857.db2.gz NLYJYQZQUZPHJT-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP CO[C@@H](C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000191150661 386766821 /nfs/dbraw/zinc/76/68/21/386766821.db2.gz CYVDSMRNZCRJMV-JTQLQIEISA-N 2 1 223.320 1.272 20 0 BDADMP CO[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C1CC1 ZINC000400194654 533192236 /nfs/dbraw/zinc/19/22/36/533192236.db2.gz XFEZYXNCIDZMQV-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000192469851 386773373 /nfs/dbraw/zinc/77/33/73/386773373.db2.gz YWMZWJDEXLUWDA-DYEKYZERSA-N 2 1 238.375 1.485 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000336669603 386801382 /nfs/dbraw/zinc/80/13/82/386801382.db2.gz MUTLFYRLWVJLNH-LLVKDONJSA-N 2 1 222.336 1.271 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000300039377 386801636 /nfs/dbraw/zinc/80/16/36/386801636.db2.gz GTXOWTFNCRTIRZ-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(F)ccc1F ZINC000414847230 386828302 /nfs/dbraw/zinc/82/83/02/386828302.db2.gz VSOQVYSEWBZSGO-VIFPVBQESA-N 2 1 228.286 1.910 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)n1 ZINC000334783722 386843222 /nfs/dbraw/zinc/84/32/22/386843222.db2.gz AEOMBPUXOOANQE-YPMHNXCESA-N 2 1 233.359 1.868 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000334785334 386844668 /nfs/dbraw/zinc/84/46/68/386844668.db2.gz ODFCHBGKCPPZHP-WCQYABFASA-N 2 1 233.359 1.868 20 0 BDADMP CC1CC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000334845267 386892792 /nfs/dbraw/zinc/89/27/92/386892792.db2.gz DTGRRJWHESNVDL-KYHHOPLUSA-N 2 1 218.291 1.619 20 0 BDADMP N[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000331604045 386873866 /nfs/dbraw/zinc/87/38/66/386873866.db2.gz OJRNEHATODVNRW-BVIHXZOGSA-N 2 1 245.370 1.848 20 0 BDADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)C[NH3+])C2 ZINC000414940123 386876608 /nfs/dbraw/zinc/87/66/08/386876608.db2.gz HBQHZKDMHZHJPU-CMPLNLGQSA-N 2 1 234.343 1.489 20 0 BDADMP Cc1ccc2cc(C[NH2+][C@@H](C)C[NH3+])ccc2n1 ZINC000414941035 386889013 /nfs/dbraw/zinc/88/90/13/386889013.db2.gz HZXZHRPMJYPDET-NSHDSACASA-N 2 1 229.327 1.980 20 0 BDADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCOCC1 ZINC000334864351 386919322 /nfs/dbraw/zinc/91/93/22/386919322.db2.gz OXXMLHCLOWSZEH-GFCCVEGCSA-N 2 1 226.364 1.533 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334856478 386908410 /nfs/dbraw/zinc/90/84/10/386908410.db2.gz YPNFWGYVXKXAIH-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334856478 386908414 /nfs/dbraw/zinc/90/84/14/386908414.db2.gz YPNFWGYVXKXAIH-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCOCC1 ZINC000334866069 386924293 /nfs/dbraw/zinc/92/42/93/386924293.db2.gz WAHIZNNOKXGSSS-ZYHUDNBSSA-N 2 1 212.337 1.001 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000395192493 386980049 /nfs/dbraw/zinc/98/00/49/386980049.db2.gz QTXXFCOYTVBETF-CYZMBNFOSA-N 2 1 226.364 1.532 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000334820056 386948330 /nfs/dbraw/zinc/94/83/30/386948330.db2.gz LCTKJRZYXZANSY-SKDRFNHKSA-N 2 1 236.363 1.443 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000162187919 386948499 /nfs/dbraw/zinc/94/84/99/386948499.db2.gz ZRXCTXRPLBVRIS-ZYHUDNBSSA-N 2 1 205.305 1.251 20 0 BDADMP CCC(CC)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313389017 387030310 /nfs/dbraw/zinc/03/03/10/387030310.db2.gz MCNBPFRRSOIPQN-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCOC1 ZINC000398993918 387034517 /nfs/dbraw/zinc/03/45/17/387034517.db2.gz QLENBNDODMFPFZ-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000070074304 387043232 /nfs/dbraw/zinc/04/32/32/387043232.db2.gz QQKJXEKFLSDMRF-AWEZNQCLSA-N 2 1 233.359 1.685 20 0 BDADMP CCn1cncc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000334964755 387044405 /nfs/dbraw/zinc/04/44/05/387044405.db2.gz CPPZVFZHQRNOCD-TZMCWYRMSA-N 2 1 249.358 1.904 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359034318 387046757 /nfs/dbraw/zinc/04/67/57/387046757.db2.gz YSQPBSRTIRMHFU-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000228029641 387059690 /nfs/dbraw/zinc/05/96/90/387059690.db2.gz UKEFBGYLBQOZJU-ODWCKFRGSA-N 2 1 226.364 1.362 20 0 BDADMP CO[C@H](C)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000514610831 387014238 /nfs/dbraw/zinc/01/42/38/387014238.db2.gz AMWKUOQDOWHQBL-LLVKDONJSA-N 2 1 225.336 1.319 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000514610831 387014246 /nfs/dbraw/zinc/01/42/46/387014246.db2.gz AMWKUOQDOWHQBL-LLVKDONJSA-N 2 1 225.336 1.319 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000126353841 387016592 /nfs/dbraw/zinc/01/65/92/387016592.db2.gz IVEWLYKGGAHAHK-RYUDHWBXSA-N 2 1 249.358 1.581 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCCC[NH2+]1 ZINC000333344070 387028119 /nfs/dbraw/zinc/02/81/19/387028119.db2.gz YTPWISBWASLALW-RTXFEEFZSA-N 2 1 248.374 1.387 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCCCN1 ZINC000333883493 387071042 /nfs/dbraw/zinc/07/10/42/387071042.db2.gz WRMJQEVCFCZWLT-WUHRBBMRSA-N 2 1 225.380 1.234 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cnn1C ZINC000160146790 387076697 /nfs/dbraw/zinc/07/66/97/387076697.db2.gz SAUOBRRBLJNCEU-GXFFZTMASA-N 2 1 236.363 1.158 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cnn1C ZINC000160146790 387076700 /nfs/dbraw/zinc/07/67/00/387076700.db2.gz SAUOBRRBLJNCEU-GXFFZTMASA-N 2 1 236.363 1.158 20 0 BDADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000334994005 387084404 /nfs/dbraw/zinc/08/44/04/387084404.db2.gz REJSFCLWXLZLOX-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCOCC(F)F)CC[N@H+]1C ZINC000188744170 387088180 /nfs/dbraw/zinc/08/81/80/387088180.db2.gz RNUAPQAQWMJXAQ-UWVGGRQHSA-N 2 1 236.306 1.340 20 0 BDADMP C[N@@H+](CCNCc1ncc[nH]1)C1CCCCC1 ZINC000067672625 387098262 /nfs/dbraw/zinc/09/82/62/387098262.db2.gz JJJOSFPJXRKEDX-UHFFFAOYSA-N 2 1 236.363 1.764 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000335027277 387120585 /nfs/dbraw/zinc/12/05/85/387120585.db2.gz QZAWGDDMQWTMPU-RYUDHWBXSA-N 2 1 222.336 1.170 20 0 BDADMP C[C@]1(C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000250789318 387122462 /nfs/dbraw/zinc/12/24/62/387122462.db2.gz HRIFCYHFENSZLC-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@]1(C[N@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000250789318 387122469 /nfs/dbraw/zinc/12/24/69/387122469.db2.gz HRIFCYHFENSZLC-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP CCc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)nc(C)[nH+]1 ZINC000250502004 387124152 /nfs/dbraw/zinc/12/41/52/387124152.db2.gz GPMYWZNVAAURAL-MWLCHTKSSA-N 2 1 234.347 1.521 20 0 BDADMP CC(C)[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cn1 ZINC000423299100 387129684 /nfs/dbraw/zinc/12/96/84/387129684.db2.gz BGUFWYFNVMCLRQ-CYBMUJFWSA-N 2 1 237.322 1.727 20 0 BDADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c(F)cn1 ZINC000423312794 387151844 /nfs/dbraw/zinc/15/18/44/387151844.db2.gz VUJVICCBXVQJQS-DTWKUNHWSA-N 2 1 241.310 1.475 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H](COC)C1CCOCC1 ZINC000423313507 387152273 /nfs/dbraw/zinc/15/22/73/387152273.db2.gz UNRRMQPZDDIRLD-CYBMUJFWSA-N 2 1 244.379 1.017 20 0 BDADMP CC[C@H]([NH2+][C@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423315609 387157629 /nfs/dbraw/zinc/15/76/29/387157629.db2.gz AAHITLSFRWYXAJ-ZJUUUORDSA-N 2 1 228.336 1.045 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423322063 387164517 /nfs/dbraw/zinc/16/45/17/387164517.db2.gz ILNAFWKYGVYRBV-GMTAPVOTSA-N 2 1 214.353 1.515 20 0 BDADMP Cc1ncsc1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000229265339 387165081 /nfs/dbraw/zinc/16/50/81/387165081.db2.gz BZMPBTUXZLUQGG-KOLCDFICSA-N 2 1 239.388 1.881 20 0 BDADMP C[C@H]1C[C@@H](NCC2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000423321345 387165166 /nfs/dbraw/zinc/16/51/66/387165166.db2.gz HISYTJULTXJXFS-WDEREUQCSA-N 2 1 223.364 1.083 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)CN1C1CC1 ZINC000423321345 387165171 /nfs/dbraw/zinc/16/51/71/387165171.db2.gz HISYTJULTXJXFS-WDEREUQCSA-N 2 1 223.364 1.083 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000353254894 387165977 /nfs/dbraw/zinc/16/59/77/387165977.db2.gz ODIAPFYFGYYUMS-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423322064 387166234 /nfs/dbraw/zinc/16/62/34/387166234.db2.gz ILNAFWKYGVYRBV-MXWKQRLJSA-N 2 1 214.353 1.515 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000423323219 387168751 /nfs/dbraw/zinc/16/87/51/387168751.db2.gz ADSCUGKTQLSWOY-AVGNSLFASA-N 3 1 225.380 1.093 20 0 BDADMP C[C@@H](O)[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000571790788 387172140 /nfs/dbraw/zinc/17/21/40/387172140.db2.gz AFLYRCADHBTTCL-OKZRHMCRSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(O)c1 ZINC000423333631 387180068 /nfs/dbraw/zinc/18/00/68/387180068.db2.gz RZRQBPJBBUEDSX-JTQLQIEISA-N 2 1 220.316 1.924 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423338426 387187471 /nfs/dbraw/zinc/18/74/71/387187471.db2.gz ZDVCWJHMBZTRNZ-VXGBXAGGSA-N 2 1 234.347 1.124 20 0 BDADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@H]2CCC[C@H]21 ZINC000423341200 387189719 /nfs/dbraw/zinc/18/97/19/387189719.db2.gz XUHMNGRVKFSCSH-FRRDWIJNSA-N 2 1 237.391 1.330 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](COC)C(C)C ZINC000423301506 387135625 /nfs/dbraw/zinc/13/56/25/387135625.db2.gz UBAIWGXLKPRYAV-VXGBXAGGSA-N 2 1 216.369 1.765 20 0 BDADMP COC(=O)c1coc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000423303245 387137017 /nfs/dbraw/zinc/13/70/17/387137017.db2.gz IPMHPYZBLDWXHN-BDAKNGLRSA-N 2 1 240.303 1.312 20 0 BDADMP C[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287715 387137464 /nfs/dbraw/zinc/13/74/64/387137464.db2.gz IKADZZUFCZJQOE-BNOWGMLFSA-N 2 1 216.328 1.899 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423305035 387140365 /nfs/dbraw/zinc/14/03/65/387140365.db2.gz ZZNQAERXMFOKPV-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCOCC1 ZINC000423355984 387206719 /nfs/dbraw/zinc/20/67/19/387206719.db2.gz GELLPUABSZFJJG-NTZNESFSSA-N 2 1 226.364 1.389 20 0 BDADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000643496337 387208604 /nfs/dbraw/zinc/20/86/04/387208604.db2.gz YNIHUSOFDXKBFX-CYBMUJFWSA-N 2 1 231.343 1.801 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000336381654 387212395 /nfs/dbraw/zinc/21/23/95/387212395.db2.gz XNJQCYYDLLTLML-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000423364704 387216866 /nfs/dbraw/zinc/21/68/66/387216866.db2.gz OXYMJFOMSTUPDF-JHJVBQTASA-N 2 1 237.391 1.343 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423367498 387218131 /nfs/dbraw/zinc/21/81/31/387218131.db2.gz MOZVWDVCUJLKKF-SDDRHHMPSA-N 2 1 236.363 1.824 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000423366641 387218849 /nfs/dbraw/zinc/21/88/49/387218849.db2.gz CSFNHDVMNQQCBY-UMSGYPCISA-N 2 1 225.380 1.057 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)C[NH+](C)CCC ZINC000352461259 387226616 /nfs/dbraw/zinc/22/66/16/387226616.db2.gz KTYPUJNLKMDDAN-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP CCCC[NH+](C)CCNC(=O)C[N@H+](C)CCC ZINC000352461259 387226623 /nfs/dbraw/zinc/22/66/23/387226623.db2.gz KTYPUJNLKMDDAN-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP CCCC[NH+](C)CCNC(=O)C[N@@H+](C)CCC ZINC000352461259 387226626 /nfs/dbraw/zinc/22/66/26/387226626.db2.gz KTYPUJNLKMDDAN-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+](C)CC1 ZINC000360170870 387236693 /nfs/dbraw/zinc/23/66/93/387236693.db2.gz PKIGPEBNFJFPPM-LLVKDONJSA-N 2 1 234.347 1.091 20 0 BDADMP Cc1cnc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000352487441 387246950 /nfs/dbraw/zinc/24/69/50/387246950.db2.gz FCFYRBWKGLGHHB-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1cnc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000352487441 387246953 /nfs/dbraw/zinc/24/69/53/387246953.db2.gz FCFYRBWKGLGHHB-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000360250279 387250951 /nfs/dbraw/zinc/25/09/51/387250951.db2.gz HLEIBKICGVQJIA-UHFFFAOYSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1c[nH+]ccc1N ZINC000423346201 387195851 /nfs/dbraw/zinc/19/58/51/387195851.db2.gz ZMCVGCYXJKWOIC-NSHDSACASA-N 3 1 248.374 1.534 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000423427124 387252254 /nfs/dbraw/zinc/25/22/54/387252254.db2.gz IEIXUYWTQBLZTN-AVGNSLFASA-N 2 1 227.396 1.624 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423466481 387314365 /nfs/dbraw/zinc/31/43/65/387314365.db2.gz AQGCKFVVEMJDQP-AGIUHOORSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423429028 387254130 /nfs/dbraw/zinc/25/41/30/387254130.db2.gz JVRVXTYQRSEFEN-YXCITZCRSA-N 2 1 237.391 1.105 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000423378296 387260570 /nfs/dbraw/zinc/26/05/70/387260570.db2.gz KSLDWGMPOJQIGG-FDYHWXHSSA-N 3 1 225.380 1.234 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000360437259 387284805 /nfs/dbraw/zinc/28/48/05/387284805.db2.gz LWOOIJNTKMZHGJ-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423442127 387292454 /nfs/dbraw/zinc/29/24/54/387292454.db2.gz UYKBGVOYOOIUOK-COMQUAJESA-N 2 1 244.338 1.708 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000162041696 387297080 /nfs/dbraw/zinc/29/70/80/387297080.db2.gz SZAZNQCWROCLLF-QMMMGPOBSA-N 2 1 243.148 1.886 20 0 BDADMP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447099 387297254 /nfs/dbraw/zinc/29/72/54/387297254.db2.gz ZIBBCMMKILGVFW-COMQUAJESA-N 2 1 244.338 1.490 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423454248 387301845 /nfs/dbraw/zinc/30/18/45/387301845.db2.gz BYPBILJPSJKJLE-MQYQWHSLSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423454248 387301849 /nfs/dbraw/zinc/30/18/49/387301849.db2.gz BYPBILJPSJKJLE-MQYQWHSLSA-N 2 1 239.407 1.434 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)on1 ZINC000353995189 387307235 /nfs/dbraw/zinc/30/72/35/387307235.db2.gz HHHSDSFHKLFTLM-MFKMUULPSA-N 2 1 237.347 1.455 20 0 BDADMP C[C@H]([NH2+]CCOCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400441907 387309474 /nfs/dbraw/zinc/30/94/74/387309474.db2.gz MTHNUYAFXOUMRO-ZFWWWQNUSA-N 2 1 248.370 1.933 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423525521 387354829 /nfs/dbraw/zinc/35/48/29/387354829.db2.gz UHPGGYNIGIVIGH-WDEREUQCSA-N 2 1 240.372 1.777 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCOCC1 ZINC000423527264 387355941 /nfs/dbraw/zinc/35/59/41/387355941.db2.gz MECIFFBRTJTLGE-FZMZJTMJSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423529845 387359797 /nfs/dbraw/zinc/35/97/97/387359797.db2.gz YJDFQLIQYAVWSJ-OLZOCXBDSA-N 2 1 241.423 1.694 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]CCn1cc[nH+]c1C ZINC000360933676 387369035 /nfs/dbraw/zinc/36/90/35/387369035.db2.gz TZVMKZQTZNAQDI-CYBMUJFWSA-N 2 1 239.363 1.842 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1CCCO1 ZINC000423573784 387380593 /nfs/dbraw/zinc/38/05/93/387380593.db2.gz ZOEABOLXWRYEHV-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000423476603 387324935 /nfs/dbraw/zinc/32/49/35/387324935.db2.gz JBSGCONMFAHRQJ-MCIONIFRSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CCN1C ZINC000423476603 387324940 /nfs/dbraw/zinc/32/49/40/387324940.db2.gz JBSGCONMFAHRQJ-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462675 387326813 /nfs/dbraw/zinc/32/68/13/387326813.db2.gz CRQYTDWASGZAAP-MJBXVCDLSA-N 2 1 237.391 1.188 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000643462675 387326818 /nfs/dbraw/zinc/32/68/18/387326818.db2.gz CRQYTDWASGZAAP-MJBXVCDLSA-N 2 1 237.391 1.188 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCOC[C@H](C)C1 ZINC000372811221 387328926 /nfs/dbraw/zinc/32/89/26/387328926.db2.gz CCEYPLCVCSKFSV-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCOC[C@H](C)C1 ZINC000372811221 387328929 /nfs/dbraw/zinc/32/89/29/387328929.db2.gz CCEYPLCVCSKFSV-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000321957013 387335086 /nfs/dbraw/zinc/33/50/86/387335086.db2.gz XXFGLYWWJITQGQ-FDYHWXHSSA-N 2 1 210.365 1.962 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623337307 387337280 /nfs/dbraw/zinc/33/72/80/387337280.db2.gz CQKOZODSMLTBAJ-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CCCO1 ZINC000423510982 387347043 /nfs/dbraw/zinc/34/70/43/387347043.db2.gz SYQCDWDVNJHDTE-WCFLWFBJSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@@H](c1cn[nH]c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423513766 387348494 /nfs/dbraw/zinc/34/84/94/387348494.db2.gz SCSWEWRNEGRPGL-JFGNBEQYSA-N 2 1 222.336 1.387 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])CCC ZINC000423779587 387425491 /nfs/dbraw/zinc/42/54/91/387425491.db2.gz VMOGWENROUFHHN-NWDGAFQWSA-N 2 1 243.395 1.350 20 0 BDADMP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000304235124 387450628 /nfs/dbraw/zinc/45/06/28/387450628.db2.gz BTQLIFYCVGLHKD-NSHDSACASA-N 2 1 240.416 1.956 20 0 BDADMP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000306589503 387507942 /nfs/dbraw/zinc/50/79/42/387507942.db2.gz XCCTXTAKJXLJNV-VPOLOUISSA-N 2 1 214.378 1.611 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2ncccn2)CC1 ZINC000361694299 387522675 /nfs/dbraw/zinc/52/26/75/387522675.db2.gz XROOZMKUPBCDTD-UHFFFAOYSA-N 2 1 234.347 1.250 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000425364870 387526048 /nfs/dbraw/zinc/52/60/48/387526048.db2.gz ZSKDZBOBSHFZKA-KGYLQXTDSA-N 2 1 240.416 1.954 20 0 BDADMP CCOC1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000162789536 387527252 /nfs/dbraw/zinc/52/72/52/387527252.db2.gz RQHZEVCBLQHIQZ-PNESKVBLSA-N 2 1 226.364 1.485 20 0 BDADMP CCOC1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000162789406 387527905 /nfs/dbraw/zinc/52/79/05/387527905.db2.gz RQHZEVCBLQHIQZ-HIFPTAJRSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000361804917 387538789 /nfs/dbraw/zinc/53/87/89/387538789.db2.gz PLKFJIIBWCYJEB-YNEHKIRRSA-N 2 1 242.407 1.977 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCO)C1 ZINC000304327533 387467013 /nfs/dbraw/zinc/46/70/13/387467013.db2.gz TXLKYEQBBORECQ-LBPRGKRZSA-N 2 1 214.353 1.033 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCO)C1 ZINC000304327533 387467017 /nfs/dbraw/zinc/46/70/17/387467017.db2.gz TXLKYEQBBORECQ-LBPRGKRZSA-N 2 1 214.353 1.033 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCO)C1 ZINC000304327533 387467021 /nfs/dbraw/zinc/46/70/21/387467021.db2.gz TXLKYEQBBORECQ-LBPRGKRZSA-N 2 1 214.353 1.033 20 0 BDADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C1CCSCC1 ZINC000643507637 387478755 /nfs/dbraw/zinc/47/87/55/387478755.db2.gz LJFKRXFTANHVFA-JTQLQIEISA-N 2 1 228.405 1.860 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422715584 387628179 /nfs/dbraw/zinc/62/81/79/387628179.db2.gz SOIKNQAOQPQBGK-QJPTWQEYSA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)[C@H](N)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643511629 387593499 /nfs/dbraw/zinc/59/34/99/387593499.db2.gz PLOALQUSLJYSNK-WCQYABFASA-N 2 1 227.396 1.290 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643514294 387599097 /nfs/dbraw/zinc/59/90/97/387599097.db2.gz DGEPXSWBWWOFMT-TZMCWYRMSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561073 387602640 /nfs/dbraw/zinc/60/26/40/387602640.db2.gz IVZHOGMHWBPNQJ-MOLYVOAJSA-N 2 1 210.365 1.948 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422561430 387602660 /nfs/dbraw/zinc/60/26/60/387602660.db2.gz LETNTBNWMFHIAI-DLOVCJGASA-N 2 1 236.363 1.523 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422561430 387602663 /nfs/dbraw/zinc/60/26/63/387602663.db2.gz LETNTBNWMFHIAI-DLOVCJGASA-N 2 1 236.363 1.523 20 0 BDADMP CCOC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422638738 387610536 /nfs/dbraw/zinc/61/05/36/387610536.db2.gz RHAQRPIDVSTSQP-WOPDTQHZSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCC[NH2+]1 ZINC000422695383 387612841 /nfs/dbraw/zinc/61/28/41/387612841.db2.gz PUDCUKLMWQUWEI-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422698413 387616217 /nfs/dbraw/zinc/61/62/17/387616217.db2.gz ZESBWWUCXIWOBL-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422708810 387622950 /nfs/dbraw/zinc/62/29/50/387622950.db2.gz JKDJKQCIRVZOOD-KGLIPLIRSA-N 2 1 241.423 1.839 20 0 BDADMP Cc1ccn2cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])nc2c1 ZINC000422710824 387624912 /nfs/dbraw/zinc/62/49/12/387624912.db2.gz GEFRZBKYLRNZBS-RYUDHWBXSA-N 2 1 246.358 1.858 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000422712533 387625483 /nfs/dbraw/zinc/62/54/83/387625483.db2.gz GUWJDJADSQPWPV-RYUDHWBXSA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)O ZINC000305682218 387626750 /nfs/dbraw/zinc/62/67/50/387626750.db2.gz OFJDANUJOBLEDH-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000305682218 387626753 /nfs/dbraw/zinc/62/67/53/387626753.db2.gz OFJDANUJOBLEDH-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000305682218 387626756 /nfs/dbraw/zinc/62/67/56/387626756.db2.gz OFJDANUJOBLEDH-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000036871220 387557463 /nfs/dbraw/zinc/55/74/63/387557463.db2.gz WIPHJFHVYZLBHR-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000168553645 387571796 /nfs/dbraw/zinc/57/17/96/387571796.db2.gz RKIAOQOSBHUMED-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422717118 387629987 /nfs/dbraw/zinc/62/99/87/387629987.db2.gz OGIVESAQWRURFA-YPMHNXCESA-N 2 1 227.396 1.160 20 0 BDADMP CCCCNC(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000430641666 387636402 /nfs/dbraw/zinc/63/64/02/387636402.db2.gz MQASYCSOYGSFPA-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CCCCNC(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000430641666 387636408 /nfs/dbraw/zinc/63/64/08/387636408.db2.gz MQASYCSOYGSFPA-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422725055 387636785 /nfs/dbraw/zinc/63/67/85/387636785.db2.gz AGTZEDRQRGKTFK-UONOGXRCSA-N 3 1 241.423 1.696 20 0 BDADMP CN(CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000124991518 387638638 /nfs/dbraw/zinc/63/86/38/387638638.db2.gz PJYIVTJGFWDFNH-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000124991518 387638644 /nfs/dbraw/zinc/63/86/44/387638644.db2.gz PJYIVTJGFWDFNH-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000124991518 387638648 /nfs/dbraw/zinc/63/86/48/387638648.db2.gz PJYIVTJGFWDFNH-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCCCO1 ZINC000124991518 387638656 /nfs/dbraw/zinc/63/86/56/387638656.db2.gz PJYIVTJGFWDFNH-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000124991518 387638660 /nfs/dbraw/zinc/63/86/60/387638660.db2.gz PJYIVTJGFWDFNH-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000422735973 387644194 /nfs/dbraw/zinc/64/41/94/387644194.db2.gz FRONCIKYHXQGFU-AXFHLTTASA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)N(C)C1CC1 ZINC000422735973 387644197 /nfs/dbraw/zinc/64/41/97/387644197.db2.gz FRONCIKYHXQGFU-AXFHLTTASA-N 2 1 213.369 1.185 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422737098 387645912 /nfs/dbraw/zinc/64/59/12/387645912.db2.gz HLRDPLWHMAPJMI-KGLIPLIRSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422745445 387648059 /nfs/dbraw/zinc/64/80/59/387648059.db2.gz VEENQLOZTAADBS-RDBSUJKOSA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000422745960 387648881 /nfs/dbraw/zinc/64/88/81/387648881.db2.gz NBXVMIFHOXSTDA-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746703 387649872 /nfs/dbraw/zinc/64/98/72/387649872.db2.gz WYOYHQNTXVMIEF-XBFCOCLRSA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@@H](NC[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746220 387651730 /nfs/dbraw/zinc/65/17/30/387651730.db2.gz WEWVQQOOCRDDPK-BNOWGMLFSA-N 2 1 239.407 1.589 20 0 BDADMP CCCC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422795208 387695379 /nfs/dbraw/zinc/69/53/79/387695379.db2.gz ZZBCWBREBHPSPI-QWHCGFSZSA-N 3 1 241.423 1.966 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422750024 387655501 /nfs/dbraw/zinc/65/55/01/387655501.db2.gz BWNLKYZSSVDVQQ-UPJWGTAASA-N 2 1 228.380 1.922 20 0 BDADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000123119891 387655548 /nfs/dbraw/zinc/65/55/48/387655548.db2.gz FPEWAMCRTXOYQM-QWRGUYRKSA-N 2 1 214.353 1.341 20 0 BDADMP CSCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422749924 387656559 /nfs/dbraw/zinc/65/65/59/387656559.db2.gz BMGHLKGCOATEHF-ZJUUUORDSA-N 2 1 202.367 1.327 20 0 BDADMP CC(C)OCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422755516 387657651 /nfs/dbraw/zinc/65/76/51/387657651.db2.gz IEAVEGRZILIIOA-NSHDSACASA-N 2 1 237.347 1.960 20 0 BDADMP C[C@@H](NCC[N@@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422753316 387658404 /nfs/dbraw/zinc/65/84/04/387658404.db2.gz GDGZVFFVQHXUDY-CYBMUJFWSA-N 2 1 247.386 1.316 20 0 BDADMP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422753316 387658409 /nfs/dbraw/zinc/65/84/09/387658409.db2.gz GDGZVFFVQHXUDY-CYBMUJFWSA-N 2 1 247.386 1.316 20 0 BDADMP CSC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422755210 387658512 /nfs/dbraw/zinc/65/85/12/387658512.db2.gz KMFHGSYAOUTHPU-VWYCJHECSA-N 2 1 216.394 1.858 20 0 BDADMP CC[C@H](NC[C@H]1CCC[N@H+]1CC)[C@@H]1CCC[NH2+]1 ZINC000422755601 387659187 /nfs/dbraw/zinc/65/91/87/387659187.db2.gz KRGHPSQDGCUDHO-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP CSC[C@@H](C)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422753553 387659213 /nfs/dbraw/zinc/65/92/13/387659213.db2.gz INSFMZJTAASBHR-RKDXNWHRSA-N 2 1 225.361 1.896 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422756876 387660195 /nfs/dbraw/zinc/66/01/95/387660195.db2.gz MATOIFNESNIGJV-IJLUTSLNSA-N 2 1 213.369 1.186 20 0 BDADMP CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422792820 387695620 /nfs/dbraw/zinc/69/56/20/387695620.db2.gz ZMXSERPYVLNFRL-XUXIUFHCSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)C1C[NH2+]C1 ZINC000422769551 387667572 /nfs/dbraw/zinc/66/75/72/387667572.db2.gz VEJLPXUFSGYDJD-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1c[nH+]ccc1N ZINC000422775737 387671904 /nfs/dbraw/zinc/67/19/04/387671904.db2.gz CEVCLSLMVTYSDM-WDMOLILDSA-N 2 1 249.358 1.696 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOCC1CC1 ZINC000422777575 387674318 /nfs/dbraw/zinc/67/43/18/387674318.db2.gz CKVGEMZRXVQJBZ-AAEUAGOBSA-N 2 1 226.364 1.391 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000126190622 387676969 /nfs/dbraw/zinc/67/69/69/387676969.db2.gz UKUNSEXTDMTCDE-MELADBBJSA-N 2 1 238.375 1.628 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000126190622 387676976 /nfs/dbraw/zinc/67/69/76/387676976.db2.gz UKUNSEXTDMTCDE-MELADBBJSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422780563 387678350 /nfs/dbraw/zinc/67/83/50/387678350.db2.gz KIZAVDJXCZAMKT-XDQVBPFNSA-N 2 1 239.407 1.589 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422782431 387679961 /nfs/dbraw/zinc/67/99/61/387679961.db2.gz MYHGBYHMHHSKSK-SDDRHHMPSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422782434 387680509 /nfs/dbraw/zinc/68/05/09/387680509.db2.gz MYHGBYHMHHSKSK-UTUOFQBUSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cnn(C)c1 ZINC000044495141 387683363 /nfs/dbraw/zinc/68/33/63/387683363.db2.gz JVFVRAHRBIGCRX-GFCCVEGCSA-N 2 1 236.363 1.557 20 0 BDADMP C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000422743256 387688838 /nfs/dbraw/zinc/68/88/38/387688838.db2.gz RFEHUNWBAVOESV-DYEKYZERSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000422743256 387688845 /nfs/dbraw/zinc/68/88/45/387688845.db2.gz RFEHUNWBAVOESV-DYEKYZERSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743780 387689030 /nfs/dbraw/zinc/68/90/30/387689030.db2.gz RVJYPWFCLFLZBD-DYEKYZERSA-N 2 1 237.391 1.343 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422791234 387693284 /nfs/dbraw/zinc/69/32/84/387693284.db2.gz YIDVWTFUPXJQLK-JHJVBQTASA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CCCC[C@H]1C ZINC000422862913 387743214 /nfs/dbraw/zinc/74/32/14/387743214.db2.gz OECOOLQGXNDCLW-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000422859744 387745375 /nfs/dbraw/zinc/74/53/75/387745375.db2.gz KFOIGPKWTNXLPZ-XUXIUFHCSA-N 2 1 241.423 1.965 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)N1CCCC[C@@H]1C ZINC000422859744 387745378 /nfs/dbraw/zinc/74/53/78/387745378.db2.gz KFOIGPKWTNXLPZ-XUXIUFHCSA-N 2 1 241.423 1.965 20 0 BDADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1OC ZINC000643525713 387751664 /nfs/dbraw/zinc/75/16/64/387751664.db2.gz CIYWAOZYKDSZIL-VHSXEESVSA-N 2 1 238.331 1.702 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000422873315 387753440 /nfs/dbraw/zinc/75/34/40/387753440.db2.gz KZKOYQCRYSZTAB-ZPFDUUQYSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000422873315 387753443 /nfs/dbraw/zinc/75/34/43/387753443.db2.gz KZKOYQCRYSZTAB-ZPFDUUQYSA-N 2 1 225.380 1.185 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000422796377 387698357 /nfs/dbraw/zinc/69/83/57/387698357.db2.gz JEKQIWGGQYENJV-ZIAGYGMSSA-N 2 1 237.391 1.202 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000452018908 387702124 /nfs/dbraw/zinc/70/21/24/387702124.db2.gz RGVPKBNXCGYOKV-CHWSQXEVSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1csc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000422805773 387705412 /nfs/dbraw/zinc/70/54/12/387705412.db2.gz HKVPVQKIELYZIJ-HTQZYQBOSA-N 2 1 213.350 1.667 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527782540 387709534 /nfs/dbraw/zinc/70/95/34/387709534.db2.gz FVUWMFVFFDIKHV-RQJABVFESA-N 2 1 238.375 1.770 20 0 BDADMP CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCOCC1 ZINC000422813821 387711523 /nfs/dbraw/zinc/71/15/23/387711523.db2.gz SMKYPPBQMYRRQV-CHWSQXEVSA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000422823918 387720497 /nfs/dbraw/zinc/72/04/97/387720497.db2.gz FKXMLVKAISEMEJ-OCCSQVGLSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422826224 387721069 /nfs/dbraw/zinc/72/10/69/387721069.db2.gz BWYITTKGILZKKP-YRGRVCCFSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422834284 387726372 /nfs/dbraw/zinc/72/63/72/387726372.db2.gz NREZZSVEPVHBOF-DYEKYZERSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000422834288 387726754 /nfs/dbraw/zinc/72/67/54/387726754.db2.gz NREZZSVEPVHBOF-YRGRVCCFSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)CN1CCCCC1 ZINC000422838090 387728988 /nfs/dbraw/zinc/72/89/88/387728988.db2.gz VZTUCJMTGTXXLE-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422835746 387729436 /nfs/dbraw/zinc/72/94/36/387729436.db2.gz IZAAMTCDUQSORD-SGMGOOAPSA-N 2 1 233.359 1.743 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000128028880 387733868 /nfs/dbraw/zinc/73/38/68/387733868.db2.gz VYFCIXVTBBAKCF-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128028880 387733870 /nfs/dbraw/zinc/73/38/70/387733870.db2.gz VYFCIXVTBBAKCF-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128028880 387733878 /nfs/dbraw/zinc/73/38/78/387733878.db2.gz VYFCIXVTBBAKCF-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128054689 387734845 /nfs/dbraw/zinc/73/48/45/387734845.db2.gz SSCZUFZLJGZCTH-UPJWGTAASA-N 2 1 226.364 1.364 20 0 BDADMP C[N@@H+](CCCO)C1CC[NH+](CC2CCC2)CC1 ZINC000441395358 387756031 /nfs/dbraw/zinc/75/60/31/387756031.db2.gz ODAKDYCZCOYMMP-UHFFFAOYSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000422898548 387765584 /nfs/dbraw/zinc/76/55/84/387765584.db2.gz FIJQALZGYBTYNZ-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422897807 387765902 /nfs/dbraw/zinc/76/59/02/387765902.db2.gz CXBHBOLGZQBFBY-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[NH3+])CC2 ZINC000643528493 387770656 /nfs/dbraw/zinc/77/06/56/387770656.db2.gz KDMRLTGJRGGNLC-ZWNOBZJWSA-N 2 1 204.317 1.919 20 0 BDADMP c1ccc(C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000422914443 387772077 /nfs/dbraw/zinc/77/20/77/387772077.db2.gz UFVKZKMLLHZIRB-LSDHHAIUSA-N 2 1 230.355 1.959 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000422932982 387780882 /nfs/dbraw/zinc/78/08/82/387780882.db2.gz CWRMTUAVRJEYGZ-PWSUYJOCSA-N 2 1 236.363 1.894 20 0 BDADMP CCOCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422902391 387787558 /nfs/dbraw/zinc/78/75/58/387787558.db2.gz UPPQYQIMOIROAQ-GXTWGEPZSA-N 2 1 236.359 1.571 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422978916 387788781 /nfs/dbraw/zinc/78/87/81/387788781.db2.gz KYTRLIOKZBQMQH-SRVKXCTJSA-N 2 1 214.353 1.125 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422978534 387789869 /nfs/dbraw/zinc/78/98/69/387789869.db2.gz ZNMGWQDNXFYPGQ-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422978922 387790064 /nfs/dbraw/zinc/79/00/64/387790064.db2.gz KZBGZEPWFMJSPO-LALPHHSUSA-N 2 1 248.370 1.911 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422978921 387790225 /nfs/dbraw/zinc/79/02/25/387790225.db2.gz KZBGZEPWFMJSPO-JMSVASOKSA-N 2 1 248.370 1.911 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422982957 387792883 /nfs/dbraw/zinc/79/28/83/387792883.db2.gz YHECQWHNYFFSMT-RDBSUJKOSA-N 2 1 242.407 1.761 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422993100 387801021 /nfs/dbraw/zinc/80/10/21/387801021.db2.gz SIMBTVVBGMRRGL-VXGBXAGGSA-N 2 1 226.364 1.127 20 0 BDADMP CC(C)[N@H+](C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422880424 387757728 /nfs/dbraw/zinc/75/77/28/387757728.db2.gz OBCGODZNFONGFB-GHMZBOCLSA-N 2 1 201.358 1.042 20 0 BDADMP CC(C)N(C)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422880424 387757734 /nfs/dbraw/zinc/75/77/34/387757734.db2.gz OBCGODZNFONGFB-GHMZBOCLSA-N 2 1 201.358 1.042 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422885942 387759284 /nfs/dbraw/zinc/75/92/84/387759284.db2.gz ZPAWDGGXORLVIB-KGLIPLIRSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000422887970 387759858 /nfs/dbraw/zinc/75/98/58/387759858.db2.gz BUYMWFOCBOVNBU-IUCAKERBSA-N 2 1 211.284 1.436 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422887897 387761173 /nfs/dbraw/zinc/76/11/73/387761173.db2.gz LPWKZSLJCCYRNH-XDQVBPFNSA-N 2 1 241.423 1.965 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)CC1 ZINC000432795372 387822206 /nfs/dbraw/zinc/82/22/06/387822206.db2.gz WLPRXZIGDZLZMW-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]([NH2+]CCc1ccccc1O)[C@@H]1CCC[NH2+]1 ZINC000422974272 387823831 /nfs/dbraw/zinc/82/38/31/387823831.db2.gz QTLVITBYZNABSS-AAEUAGOBSA-N 2 1 234.343 1.665 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422974637 387824264 /nfs/dbraw/zinc/82/42/64/387824264.db2.gz RKGCYAJOOLPLPY-QWRGUYRKSA-N 2 1 214.353 1.125 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567110349 387824836 /nfs/dbraw/zinc/82/48/36/387824836.db2.gz AEODSVSDQFAYOH-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000423003563 387826895 /nfs/dbraw/zinc/82/68/95/387826895.db2.gz HXWKKHKFXUJYRP-LPWJVIDDSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423007562 387829276 /nfs/dbraw/zinc/82/92/76/387829276.db2.gz QZSNHBWHQYFBBN-ZDEQEGDKSA-N 2 1 226.364 1.125 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)nc1 ZINC000423015484 387838269 /nfs/dbraw/zinc/83/82/69/387838269.db2.gz RFAQNBIJNSVOLT-RYUDHWBXSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@H]([NH2+]CC1(CO)CCC1)c1c[nH+]ccc1N ZINC000423025833 387842696 /nfs/dbraw/zinc/84/26/96/387842696.db2.gz ADQLPHNXKQMCFT-JTQLQIEISA-N 2 1 235.331 1.307 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000423026874 387843383 /nfs/dbraw/zinc/84/33/83/387843383.db2.gz CKGZBKAQRZFRGA-BJDJZHNGSA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000423026874 387843386 /nfs/dbraw/zinc/84/33/86/387843386.db2.gz CKGZBKAQRZFRGA-BJDJZHNGSA-N 2 1 213.369 1.185 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423056674 387861651 /nfs/dbraw/zinc/86/16/51/387861651.db2.gz XXZIFNLGSPHXCL-CRTFULIASA-N 2 1 212.337 1.044 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CCO)c1ccco1 ZINC000423055150 387862771 /nfs/dbraw/zinc/86/27/71/387862771.db2.gz VSJDNUVYKQNULO-AXFHLTTASA-N 2 1 226.320 1.419 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423064849 387867813 /nfs/dbraw/zinc/86/78/13/387867813.db2.gz SEXVEXYFGKATSX-FIQHERPVSA-N 2 1 226.364 1.266 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cncs1 ZINC000309511387 387813944 /nfs/dbraw/zinc/81/39/44/387813944.db2.gz XJNDBLYZOKLGGZ-SECBINFHSA-N 2 1 236.344 1.770 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N1CCCC1 ZINC000422962516 387814476 /nfs/dbraw/zinc/81/44/76/387814476.db2.gz FYWOADSPPDODMD-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP CCOc1ncccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422966675 387817357 /nfs/dbraw/zinc/81/73/57/387817357.db2.gz RRAIWFVECDYXPV-WDEREUQCSA-N 2 1 237.347 1.696 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422969012 387817977 /nfs/dbraw/zinc/81/79/77/387817977.db2.gz YLRVKPQLJIZMKN-OLZOCXBDSA-N 2 1 249.358 1.840 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422969258 387819739 /nfs/dbraw/zinc/81/97/39/387819739.db2.gz ZIULBFXMUZZKFW-UONOGXRCSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@@H]1C[N@@H+](C)CCN1CCC[NH+]1CCCCC1 ZINC000444629464 387896031 /nfs/dbraw/zinc/89/60/31/387896031.db2.gz WCHXJOCUHQFISH-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccncc1 ZINC000643460245 387875256 /nfs/dbraw/zinc/87/52/56/387875256.db2.gz DPRHCOLCIRYMCX-OUCADQQQSA-N 2 1 233.359 1.773 20 0 BDADMP CCN(CC)[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423083348 387879080 /nfs/dbraw/zinc/87/90/80/387879080.db2.gz FWONTDHRZDFYDF-QJPTWQEYSA-N 2 1 215.385 1.432 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCSC1)c1c[nH+]ccc1N ZINC000423085820 387880136 /nfs/dbraw/zinc/88/01/36/387880136.db2.gz LKIGYGSPBMKMBV-UWVGGRQHSA-N 2 1 237.372 1.898 20 0 BDADMP CSC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423090150 387883589 /nfs/dbraw/zinc/88/35/89/387883589.db2.gz UOVMJOUZVWNOMD-VHSXEESVSA-N 2 1 214.378 1.470 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423104220 387889032 /nfs/dbraw/zinc/88/90/32/387889032.db2.gz GWGVPDXYXLOEDS-MELADBBJSA-N 3 1 239.407 1.578 20 0 BDADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423104220 387889036 /nfs/dbraw/zinc/88/90/36/387889036.db2.gz GWGVPDXYXLOEDS-MELADBBJSA-N 3 1 239.407 1.578 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000423141205 387918846 /nfs/dbraw/zinc/91/88/46/387918846.db2.gz OODYDHCQGHOXKG-VWYCJHECSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000423120285 387900403 /nfs/dbraw/zinc/90/04/03/387900403.db2.gz GRQDVQFSFGNJHN-ZNSHCXBVSA-N 2 1 200.301 1.465 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423119456 387900640 /nfs/dbraw/zinc/90/06/40/387900640.db2.gz CKLIUTQPKVLITO-IJLUTSLNSA-N 2 1 215.385 1.431 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423125141 387902849 /nfs/dbraw/zinc/90/28/49/387902849.db2.gz NATLSSUWFAIDKC-XJFOESAGSA-N 2 1 240.391 1.373 20 0 BDADMP COc1ccncc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423125874 387905107 /nfs/dbraw/zinc/90/51/07/387905107.db2.gz IGYWWYLQCGXZAI-AAEUAGOBSA-N 2 1 249.358 1.568 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000423127841 387905255 /nfs/dbraw/zinc/90/52/55/387905255.db2.gz PQNASZRLMJPQHD-IJLUTSLNSA-N 2 1 228.405 1.717 20 0 BDADMP COc1ccncc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423131858 387908807 /nfs/dbraw/zinc/90/88/07/387908807.db2.gz OPXIXMQNAQUNPR-VHSXEESVSA-N 2 1 223.320 1.306 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423135204 387911765 /nfs/dbraw/zinc/91/17/65/387911765.db2.gz FNNZXLABHVHHKD-BFHYXJOUSA-N 2 1 241.423 1.694 20 0 BDADMP COCC(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423139392 387915474 /nfs/dbraw/zinc/91/54/74/387915474.db2.gz ZSNFOZZPSDATHM-SNVBAGLBSA-N 2 1 237.347 1.817 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)OC ZINC000423139493 387915851 /nfs/dbraw/zinc/91/58/51/387915851.db2.gz KWLGVODVJSZUMR-UWVGGRQHSA-N 2 1 223.320 1.570 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[C@H]1C[NH3+] ZINC000423141913 387917595 /nfs/dbraw/zinc/91/75/95/387917595.db2.gz SJBCBHYYYCUREI-RDBSUJKOSA-N 2 1 241.423 1.824 20 0 BDADMP CO[C@@H]([C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423152602 387931293 /nfs/dbraw/zinc/93/12/93/387931293.db2.gz FVYYRWODYILGLA-LFSVMHDDSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423152393 387932008 /nfs/dbraw/zinc/93/20/08/387932008.db2.gz FUQLFZCZSFDXSY-NTZNESFSSA-N 2 1 236.363 1.081 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000423152709 387932171 /nfs/dbraw/zinc/93/21/71/387932171.db2.gz MAUZPWYFCVICCJ-NWDGAFQWSA-N 2 1 244.354 1.340 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423153065 387932372 /nfs/dbraw/zinc/93/23/72/387932372.db2.gz MXQLFZOZBAIPQN-MROQNXINSA-N 2 1 210.365 1.866 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423156351 387934412 /nfs/dbraw/zinc/93/44/12/387934412.db2.gz SERMPYHFQNGXQF-SDDRHHMPSA-N 2 1 236.363 1.681 20 0 BDADMP F[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423144244 387921228 /nfs/dbraw/zinc/92/12/28/387921228.db2.gz GNHDCNOKJYLFBE-RTWBTXMESA-N 2 1 212.312 1.750 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423146316 387922998 /nfs/dbraw/zinc/92/29/98/387922998.db2.gz ABVNRIWTUBVDAW-WRWGMCAJSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)C(F)F ZINC000423145192 387923210 /nfs/dbraw/zinc/92/32/10/387923210.db2.gz JNBMVEDBHRBQCB-BDAKNGLRSA-N 2 1 224.295 1.374 20 0 BDADMP CCC[C@H](C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000423150479 387928082 /nfs/dbraw/zinc/92/80/82/387928082.db2.gz ZDNOJDAWJRIZTN-UPJWGTAASA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@H](C)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000245528377 387955173 /nfs/dbraw/zinc/95/51/73/387955173.db2.gz DVXYWQZCEJVORA-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000423171331 387956677 /nfs/dbraw/zinc/95/66/77/387956677.db2.gz ZVABEJWSWUQHHJ-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423160085 387941249 /nfs/dbraw/zinc/94/12/49/387941249.db2.gz GUSMCLZFDRIIEQ-TZMCWYRMSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@@H](NCCCC[N@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423160085 387941254 /nfs/dbraw/zinc/94/12/54/387941254.db2.gz GUSMCLZFDRIIEQ-TZMCWYRMSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H](NCCCC[N@@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423160085 387941259 /nfs/dbraw/zinc/94/12/59/387941259.db2.gz GUSMCLZFDRIIEQ-TZMCWYRMSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1cccnc1CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423159581 387941374 /nfs/dbraw/zinc/94/13/74/387941374.db2.gz YJHVXIVGLRKETR-HIFRSBDPSA-N 2 1 247.386 1.910 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000423160404 387941471 /nfs/dbraw/zinc/94/14/71/387941471.db2.gz HCTHRZFOHAOHSK-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423160466 387941595 /nfs/dbraw/zinc/94/15/95/387941595.db2.gz HKMDYVMOARCURE-NDBYEHHHSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CC1 ZINC000423160004 387942040 /nfs/dbraw/zinc/94/20/40/387942040.db2.gz QFROLDAYPVICDJ-FMKGYKFTSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1c[nH+]ccc1N ZINC000423160694 387942125 /nfs/dbraw/zinc/94/21/25/387942125.db2.gz MRBBZTVTNCURFG-VXGBXAGGSA-N 2 1 249.358 1.961 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423162357 387942686 /nfs/dbraw/zinc/94/26/86/387942686.db2.gz KSMXLBTUQQIHLS-IXOXFDKPSA-N 2 1 208.349 1.620 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423161233 387942960 /nfs/dbraw/zinc/94/29/60/387942960.db2.gz RSSBUVDVDJUGCC-ZJUUUORDSA-N 2 1 237.347 1.694 20 0 BDADMP CCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)COC1 ZINC000423161654 387943184 /nfs/dbraw/zinc/94/31/84/387943184.db2.gz NYKBXEYBBBKEKD-QWRGUYRKSA-N 2 1 212.337 1.001 20 0 BDADMP CC/C=C/C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423162933 387946169 /nfs/dbraw/zinc/94/61/69/387946169.db2.gz UYOSPZWQZBTIEQ-PYDIIWFVSA-N 2 1 238.375 1.699 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCOC2)CC[N@@H+]1C ZINC000156279507 387949880 /nfs/dbraw/zinc/94/98/80/387949880.db2.gz VRXIGMVXZWRJLO-QJPTWQEYSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCOC2)CC[N@H+]1C ZINC000156279507 387949889 /nfs/dbraw/zinc/94/98/89/387949889.db2.gz VRXIGMVXZWRJLO-QJPTWQEYSA-N 2 1 212.337 1.238 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000423165915 387950780 /nfs/dbraw/zinc/95/07/80/387950780.db2.gz BSWXXPONSHVZBD-QNWHQSFQSA-N 2 1 238.375 1.674 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000423165913 387950816 /nfs/dbraw/zinc/95/08/16/387950816.db2.gz BSWXXPONSHVZBD-FVCCEPFGSA-N 2 1 238.375 1.674 20 0 BDADMP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cn1 ZINC000423170803 387958124 /nfs/dbraw/zinc/95/81/24/387958124.db2.gz YXJAEAZYHVMVFZ-YPMHNXCESA-N 2 1 234.347 1.058 20 0 BDADMP COCCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423178346 387964468 /nfs/dbraw/zinc/96/44/68/387964468.db2.gz BVJVMTDATMIFSE-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[NH3+] ZINC000423180728 387965505 /nfs/dbraw/zinc/96/55/05/387965505.db2.gz ITDYLWBXICVSNK-SECBINFHSA-N 2 1 228.286 1.834 20 0 BDADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[NH3+] ZINC000423180128 387966174 /nfs/dbraw/zinc/96/61/74/387966174.db2.gz IEDJQTFLGXIJLD-VIFPVBQESA-N 2 1 228.286 1.834 20 0 BDADMP COc1cc([C@H](C)[NH2+]CCC[NH3+])c(F)cn1 ZINC000423183199 387968497 /nfs/dbraw/zinc/96/84/97/387968497.db2.gz HGUNKBHJXNQTMM-QMMMGPOBSA-N 2 1 227.283 1.229 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC1(N)CCCCC1 ZINC000423185039 387970145 /nfs/dbraw/zinc/97/01/45/387970145.db2.gz UPCHIASPHYBSAI-NSHDSACASA-N 2 1 213.369 1.365 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCCC[NH2+]1 ZINC000423171013 387956865 /nfs/dbraw/zinc/95/68/65/387956865.db2.gz ZILNMUVDQFXNQX-VOAKCMCISA-N 2 1 226.364 1.674 20 0 BDADMP COc1cccc2c1CC[C@H]([NH2+]CC[NH3+])C2 ZINC000423193875 387979323 /nfs/dbraw/zinc/97/93/23/387979323.db2.gz XGWIEYNUAVEJNM-NSHDSACASA-N 2 1 220.316 1.101 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423188196 387973605 /nfs/dbraw/zinc/97/36/05/387973605.db2.gz PUHBFSVEVDIIDE-UONOGXRCSA-N 2 1 218.344 1.946 20 0 BDADMP COCC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000423188588 387974051 /nfs/dbraw/zinc/97/40/51/387974051.db2.gz LQLYBUGGFHDWOC-WXRRBKDZSA-N 2 1 226.364 1.533 20 0 BDADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[NH3+] ZINC000423190178 387975764 /nfs/dbraw/zinc/97/57/64/387975764.db2.gz SCEVKQJIPHBOKH-CYBMUJFWSA-N 2 1 234.343 1.966 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]CC[NH3+])C1(CC)CC ZINC000423192998 387978244 /nfs/dbraw/zinc/97/82/44/387978244.db2.gz WDPNAEQAMKVGRP-QWRGUYRKSA-N 2 1 214.353 1.519 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CC[C@H](O)CC1 ZINC000439281023 387989817 /nfs/dbraw/zinc/98/98/17/387989817.db2.gz FQIMIEKUKJYIIQ-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[C@H](O)CC1 ZINC000439281023 387989819 /nfs/dbraw/zinc/98/98/19/387989819.db2.gz FQIMIEKUKJYIIQ-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[C@H](O)CC1 ZINC000439281023 387989823 /nfs/dbraw/zinc/98/98/23/387989823.db2.gz FQIMIEKUKJYIIQ-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000423207618 387994114 /nfs/dbraw/zinc/99/41/14/387994114.db2.gz XUOJIQDZYPHYAZ-JTQLQIEISA-N 2 1 238.331 1.661 20 0 BDADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccncn2)C1 ZINC000453090655 387982194 /nfs/dbraw/zinc/98/21/94/387982194.db2.gz KQIVCKKOCCUEGX-STQMWFEESA-N 2 1 248.374 1.859 20 0 BDADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000453088521 387982784 /nfs/dbraw/zinc/98/27/84/387982784.db2.gz APOWULBQPIULKW-NWDGAFQWSA-N 2 1 230.396 1.713 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000453088525 387982847 /nfs/dbraw/zinc/98/28/47/387982847.db2.gz APOWULBQPIULKW-VXGBXAGGSA-N 2 1 230.396 1.713 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCO[C@H]1C ZINC000245960859 387996988 /nfs/dbraw/zinc/99/69/88/387996988.db2.gz SGJDPYCWRILHBX-MDZLAQPJSA-N 2 1 237.347 1.595 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423214253 387998066 /nfs/dbraw/zinc/99/80/66/387998066.db2.gz ONFHYTGPMPNHSH-MBNYWOFBSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423214253 387998070 /nfs/dbraw/zinc/99/80/70/387998070.db2.gz ONFHYTGPMPNHSH-MBNYWOFBSA-N 2 1 237.391 1.058 20 0 BDADMP COCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420406917 387999565 /nfs/dbraw/zinc/99/95/65/387999565.db2.gz UUFPDJFXYOWBBK-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1C ZINC000424376491 388000064 /nfs/dbraw/zinc/00/00/64/388000064.db2.gz PKGURUYHTJNCMX-UMSGYPCISA-N 2 1 225.380 1.329 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCOC1 ZINC000159309576 388006534 /nfs/dbraw/zinc/00/65/34/388006534.db2.gz ONURMIPVRWTSMF-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH2+]C)C12CCCC2 ZINC000423226648 388009340 /nfs/dbraw/zinc/00/93/40/388009340.db2.gz RPDNSJUNBGVDQZ-NWDGAFQWSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423236886 388020583 /nfs/dbraw/zinc/02/05/83/388020583.db2.gz OZHKXDFSRRAIDV-ZYHUDNBSSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423270005 388035627 /nfs/dbraw/zinc/03/56/27/388035627.db2.gz WGGOFZRSVMWWCH-CYZMBNFOSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000082645469 388038318 /nfs/dbraw/zinc/03/83/18/388038318.db2.gz ZKEQNRKDKINRNH-RYUDHWBXSA-N 2 1 219.332 1.641 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423258850 388039230 /nfs/dbraw/zinc/03/92/30/388039230.db2.gz CQKILUJNGMWZLA-MXWKQRLJSA-N 2 1 202.342 1.373 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCCC[NH3+] ZINC000423262369 388040084 /nfs/dbraw/zinc/04/00/84/388040084.db2.gz MFYALEBPEUFAFM-NEPJUHHUSA-N 3 1 215.385 1.467 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423266133 388043341 /nfs/dbraw/zinc/04/33/41/388043341.db2.gz CWVURPARESZDEN-UMSGYPCISA-N 2 1 227.396 1.160 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423266133 388043344 /nfs/dbraw/zinc/04/33/44/388043344.db2.gz CWVURPARESZDEN-UMSGYPCISA-N 3 1 227.396 1.160 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423266133 388043347 /nfs/dbraw/zinc/04/33/47/388043347.db2.gz CWVURPARESZDEN-UMSGYPCISA-N 3 1 227.396 1.160 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423265249 388043612 /nfs/dbraw/zinc/04/36/12/388043612.db2.gz CRPZCCNKVGEYQS-ZDEQEGDKSA-N 2 1 225.380 1.044 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423265249 388043615 /nfs/dbraw/zinc/04/36/15/388043615.db2.gz CRPZCCNKVGEYQS-ZDEQEGDKSA-N 2 1 225.380 1.044 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423265248 388043878 /nfs/dbraw/zinc/04/38/78/388043878.db2.gz CRPZCCNKVGEYQS-WUHRBBMRSA-N 2 1 225.380 1.044 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423265248 388043882 /nfs/dbraw/zinc/04/38/82/388043882.db2.gz CRPZCCNKVGEYQS-WUHRBBMRSA-N 2 1 225.380 1.044 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000423272523 388051753 /nfs/dbraw/zinc/05/17/53/388051753.db2.gz ZAPXQQUABKEOMZ-UTUOFQBUSA-N 2 1 214.353 1.517 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000423273667 388053986 /nfs/dbraw/zinc/05/39/86/388053986.db2.gz LHVAFIGKTQWLKT-UWVGGRQHSA-N 2 1 224.352 1.235 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)C1CC1 ZINC000423274963 388054532 /nfs/dbraw/zinc/05/45/32/388054532.db2.gz KZPNUXVGFQMURN-UONOGXRCSA-N 2 1 246.354 1.707 20 0 BDADMP CCC[N@@H+](CCCOCC)C1CC[NH2+]CC1 ZINC000083552466 388055507 /nfs/dbraw/zinc/05/55/07/388055507.db2.gz QXWLOQVPCPTBAT-UHFFFAOYSA-N 2 1 228.380 1.877 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423277769 388058860 /nfs/dbraw/zinc/05/88/60/388058860.db2.gz OPQDISZMBOAQHR-XDQVBPFNSA-N 2 1 239.407 1.434 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423277769 388058862 /nfs/dbraw/zinc/05/88/62/388058862.db2.gz OPQDISZMBOAQHR-XDQVBPFNSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423280860 388061410 /nfs/dbraw/zinc/06/14/10/388061410.db2.gz SYYLSJIXYCKHAK-BXKDBHETSA-N 2 1 208.305 1.538 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000423283106 388065168 /nfs/dbraw/zinc/06/51/68/388065168.db2.gz XDLKNMKIXXODOT-VXGBXAGGSA-N 2 1 221.348 1.896 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000084048030 388069704 /nfs/dbraw/zinc/06/97/04/388069704.db2.gz LQLUBQNFGDQOKT-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CCOC[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404792 388075305 /nfs/dbraw/zinc/07/53/05/388075305.db2.gz PXNOBIJNQSNGHM-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](C)OC ZINC000423298334 388079927 /nfs/dbraw/zinc/07/99/27/388079927.db2.gz OCCOFGMYWXOACU-HBNTYKKESA-N 2 1 202.342 1.517 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000336658970 388083143 /nfs/dbraw/zinc/08/31/43/388083143.db2.gz BGUXYGXAKAMWSY-IJLUTSLNSA-N 2 1 214.353 1.341 20 0 BDADMP C[N@@H+](CCCC[NH2+]Cc1cc[nH]n1)C1CC1 ZINC000453593707 388088788 /nfs/dbraw/zinc/08/87/88/388088788.db2.gz HGKXROYOTGBIFT-UHFFFAOYSA-N 2 1 222.336 1.374 20 0 BDADMP C[N@H+](CCCC[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000453593707 388088790 /nfs/dbraw/zinc/08/87/90/388088790.db2.gz HGKXROYOTGBIFT-UHFFFAOYSA-N 2 1 222.336 1.374 20 0 BDADMP C[N@@H+](CCCC[NH2+]Cc1ccn[nH]1)C1CC1 ZINC000453593707 388088794 /nfs/dbraw/zinc/08/87/94/388088794.db2.gz HGKXROYOTGBIFT-UHFFFAOYSA-N 2 1 222.336 1.374 20 0 BDADMP C[N@@H+](CCCC[NH2+]Cc1cc[nH]c1)C1CC1 ZINC000453603287 388091602 /nfs/dbraw/zinc/09/16/02/388091602.db2.gz XBOIUWCCVLAHEW-UHFFFAOYSA-N 2 1 221.348 1.979 20 0 BDADMP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCCN1 ZINC000333286310 388101471 /nfs/dbraw/zinc/10/14/71/388101471.db2.gz NKBQXYZOLQSCIT-WTIISPKJSA-N 2 1 225.380 1.377 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000086437732 388102140 /nfs/dbraw/zinc/10/21/40/388102140.db2.gz KVZFZGXEJBEIKO-ZDUSSCGKSA-N 2 1 227.396 1.260 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@H]1CCOC1 ZINC000423268251 388047299 /nfs/dbraw/zinc/04/72/99/388047299.db2.gz UPLMOEAWXDMEGO-UBHSHLNASA-N 2 1 240.391 1.909 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000423270664 388049113 /nfs/dbraw/zinc/04/91/13/388049113.db2.gz IIQUQZDPODJFHU-VXGBXAGGSA-N 2 1 224.352 1.444 20 0 BDADMP C[C@H](NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272305 388050728 /nfs/dbraw/zinc/05/07/28/388050728.db2.gz JUOMCJIJPVSXPK-AVGNSLFASA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000162225526 388128542 /nfs/dbraw/zinc/12/85/42/388128542.db2.gz ZJDMBRNBCPNDAA-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449076773 388139586 /nfs/dbraw/zinc/13/95/86/388139586.db2.gz HYIFKYCEDPGGGB-JHJVBQTASA-N 2 1 244.379 1.110 20 0 BDADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000449112937 388144400 /nfs/dbraw/zinc/14/44/00/388144400.db2.gz DXLGBGDCSZVKCB-NEPJUHHUSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@H](CCC[NH3+])NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000449574040 388236191 /nfs/dbraw/zinc/23/61/91/388236191.db2.gz VGLWZLWOUDXBMN-UTUOFQBUSA-N 2 1 241.379 1.103 20 0 BDADMP Cc1nc(C)c(C[NH2+]CC(C)(C)[NH3+])s1 ZINC000261529987 135157026 /nfs/dbraw/zinc/15/70/26/135157026.db2.gz WRBIUBLOXNOROC-UHFFFAOYSA-N 2 1 213.350 1.587 20 0 BDADMP C[C@@H]1[C@@H](O)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000451463250 388275685 /nfs/dbraw/zinc/27/56/85/388275685.db2.gz UVEGWHZCQJEFHR-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP [NH3+]CCC[N@@H+](CCCO)Cc1ccccc1 ZINC000230024567 388348957 /nfs/dbraw/zinc/34/89/57/388348957.db2.gz CLZZKMDWFPKKRT-UHFFFAOYSA-N 2 1 222.332 1.220 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)c1cccnc1)C[NH+](C)C ZINC000293655448 388357356 /nfs/dbraw/zinc/35/73/56/388357356.db2.gz LPDJUKIMZNZKFJ-NEPJUHHUSA-N 2 1 221.348 1.930 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000235197841 388366478 /nfs/dbraw/zinc/36/64/78/388366478.db2.gz YIANNWQKFAQFMH-ZYHUDNBSSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000572760946 388374603 /nfs/dbraw/zinc/37/46/03/388374603.db2.gz KMEVKWBCBXRJOK-NWDGAFQWSA-N 2 1 241.379 1.103 20 0 BDADMP CN(C)c1ncc(CNC2(CF)CCC2)n1C ZINC000572841496 388380372 /nfs/dbraw/zinc/38/03/72/388380372.db2.gz XTMVNMWYPXJLFN-UHFFFAOYSA-N 2 1 240.326 1.468 20 0 BDADMP Cc1sccc1C[NH2+]C[C@@](C)(O)CN(C)C ZINC000292750590 388382971 /nfs/dbraw/zinc/38/29/71/388382971.db2.gz BEEOCBAKIQOHQY-GFCCVEGCSA-N 2 1 242.388 1.459 20 0 BDADMP COC(=O)CCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308578397 388443459 /nfs/dbraw/zinc/44/34/59/388443459.db2.gz NVOLULYDDHLEIN-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1(C)COC1 ZINC000308614430 388445387 /nfs/dbraw/zinc/44/53/87/388445387.db2.gz NMENSKCJDCQGMM-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000322775335 388447190 /nfs/dbraw/zinc/44/71/90/388447190.db2.gz JLKFIDCVCUUKGS-BIMULSAOSA-N 2 1 247.342 1.245 20 0 BDADMP c1cc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000309562456 388457488 /nfs/dbraw/zinc/45/74/88/388457488.db2.gz PFYXQCYYPLJURB-BETUJISGSA-N 2 1 236.384 1.832 20 0 BDADMP FCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336708150 388466501 /nfs/dbraw/zinc/46/65/01/388466501.db2.gz SFZOYSQIGCXSMR-RYUDHWBXSA-N 2 1 214.328 1.668 20 0 BDADMP C([N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C12CCC(CC1)C2 ZINC000649253090 388470235 /nfs/dbraw/zinc/47/02/35/388470235.db2.gz HYCASZSEYRJFDZ-AKJUYKBHSA-N 2 1 220.360 1.718 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCSCC1 ZINC000336725062 388470422 /nfs/dbraw/zinc/47/04/22/388470422.db2.gz BIXZXYNAFSWJQV-CMPLNLGQSA-N 2 1 246.420 1.030 20 0 BDADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336730390 388470905 /nfs/dbraw/zinc/47/09/05/388470905.db2.gz DPJJVWMVKODLCA-NWDGAFQWSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000397486143 388474361 /nfs/dbraw/zinc/47/43/61/388474361.db2.gz UZXYSUQWDZDFKS-YRGRVCCFSA-N 2 1 240.391 1.718 20 0 BDADMP C=Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000295020553 388407772 /nfs/dbraw/zinc/40/77/72/388407772.db2.gz NCXGXWKTSBBEAV-AGUYFDCRSA-N 2 1 246.358 1.698 20 0 BDADMP C=Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000295020553 388407777 /nfs/dbraw/zinc/40/77/77/388407777.db2.gz NCXGXWKTSBBEAV-AGUYFDCRSA-N 2 1 246.358 1.698 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000352558862 388537461 /nfs/dbraw/zinc/53/74/61/388537461.db2.gz ZWVAIWNRMSQHGB-MGPQQGTHSA-N 2 1 240.391 1.754 20 0 BDADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353625289 388541982 /nfs/dbraw/zinc/54/19/82/388541982.db2.gz FXUDARNSPPVKCO-OLZOCXBDSA-N 2 1 234.347 1.169 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@H]1CCOC1 ZINC000339409395 388482948 /nfs/dbraw/zinc/48/29/48/388482948.db2.gz LZIWAJMCJBPEEM-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]([NH2+]CC1=CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000397613137 388484546 /nfs/dbraw/zinc/48/45/46/388484546.db2.gz CYEBCWBUFXAFOX-DGCLKSJQSA-N 2 1 224.348 1.453 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000516861235 388520661 /nfs/dbraw/zinc/52/06/61/388520661.db2.gz CPCDAJXHDSDBES-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347682147 388524143 /nfs/dbraw/zinc/52/41/43/388524143.db2.gz PCSMCXMNDAHVGM-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000348757727 388528378 /nfs/dbraw/zinc/52/83/78/388528378.db2.gz WRKONDVDICNADT-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(C)(F)F ZINC000357716211 388553925 /nfs/dbraw/zinc/55/39/25/388553925.db2.gz MKJGTFHOJUJLRE-NXEZZACHSA-N 2 1 236.306 1.388 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000359644402 388557207 /nfs/dbraw/zinc/55/72/07/388557207.db2.gz ZZKJQFTUOHHEOJ-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000359644402 388557208 /nfs/dbraw/zinc/55/72/08/388557208.db2.gz ZZKJQFTUOHHEOJ-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359644402 388557210 /nfs/dbraw/zinc/55/72/10/388557210.db2.gz ZZKJQFTUOHHEOJ-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@H]1C ZINC000359644402 388557213 /nfs/dbraw/zinc/55/72/13/388557213.db2.gz ZZKJQFTUOHHEOJ-KGLIPLIRSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@H]1C ZINC000359644402 388557215 /nfs/dbraw/zinc/55/72/15/388557215.db2.gz ZZKJQFTUOHHEOJ-KGLIPLIRSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000359644402 388557218 /nfs/dbraw/zinc/55/72/18/388557218.db2.gz ZZKJQFTUOHHEOJ-KGLIPLIRSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359644402 388557220 /nfs/dbraw/zinc/55/72/20/388557220.db2.gz ZZKJQFTUOHHEOJ-KGLIPLIRSA-N 3 1 241.423 1.647 20 0 BDADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000361011333 388559976 /nfs/dbraw/zinc/55/99/76/388559976.db2.gz SGRQKKLHZZYGFD-IACUBPJLSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367626634 388566530 /nfs/dbraw/zinc/56/65/30/388566530.db2.gz PPIRKHCEDNOUDZ-JQWIXIFHSA-N 2 1 236.363 1.717 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000328344914 388625860 /nfs/dbraw/zinc/62/58/60/388625860.db2.gz LWIRWLIWONEWIF-YIYPIFLZSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215658 388628627 /nfs/dbraw/zinc/62/86/27/388628627.db2.gz HQGYWWUICFXHNW-DGCLKSJQSA-N 2 1 246.358 1.282 20 0 BDADMP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2n1 ZINC000530217123 388630013 /nfs/dbraw/zinc/63/00/13/388630013.db2.gz FWEVMKVSBCNCNM-CHWSQXEVSA-N 2 1 244.342 1.543 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@H+]1C ZINC000530222762 388633743 /nfs/dbraw/zinc/63/37/43/388633743.db2.gz RLYCTXTYNUNXGK-JHJVBQTASA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCCC[NH2+]1 ZINC000530223317 388634100 /nfs/dbraw/zinc/63/41/00/388634100.db2.gz TXZXQYINVTUUPC-DKNRTOFZSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000189503838 388634334 /nfs/dbraw/zinc/63/43/34/388634334.db2.gz OZSDSONLRTVVLJ-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCO2)CC[N@H+]1C ZINC000189503838 388634338 /nfs/dbraw/zinc/63/43/38/388634338.db2.gz OZSDSONLRTVVLJ-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCCO2)CC[NH+]1C ZINC000189503838 388634342 /nfs/dbraw/zinc/63/43/42/388634342.db2.gz OZSDSONLRTVVLJ-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCCO2)CC[NH+]1C ZINC000189503838 388634345 /nfs/dbraw/zinc/63/43/45/388634345.db2.gz OZSDSONLRTVVLJ-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCC[NH3+])C2 ZINC000530225821 388635163 /nfs/dbraw/zinc/63/51/63/388635163.db2.gz XAPPWSCAWUZDPM-UHFFFAOYSA-N 2 1 248.374 1.481 20 0 BDADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CCC[NH3+])C2 ZINC000530225821 388635164 /nfs/dbraw/zinc/63/51/64/388635164.db2.gz XAPPWSCAWUZDPM-UHFFFAOYSA-N 2 1 248.374 1.481 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000530228870 388636332 /nfs/dbraw/zinc/63/63/32/388636332.db2.gz HEBNOZXXMFVEAC-AWEZNQCLSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000530228870 388636336 /nfs/dbraw/zinc/63/63/36/388636336.db2.gz HEBNOZXXMFVEAC-AWEZNQCLSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@H+](C)CCN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000222834059 388644822 /nfs/dbraw/zinc/64/48/22/388644822.db2.gz HQTRZPFBSBEPTJ-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000222834059 388644823 /nfs/dbraw/zinc/64/48/23/388644823.db2.gz HQTRZPFBSBEPTJ-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+](C)CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222834059 388644825 /nfs/dbraw/zinc/64/48/25/388644825.db2.gz HQTRZPFBSBEPTJ-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+](C)CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222834059 388644826 /nfs/dbraw/zinc/64/48/26/388644826.db2.gz HQTRZPFBSBEPTJ-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247044205 388657305 /nfs/dbraw/zinc/65/73/05/388657305.db2.gz OJCBEEGCSPXYIX-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247044205 388657306 /nfs/dbraw/zinc/65/73/06/388657306.db2.gz OJCBEEGCSPXYIX-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247044205 388657310 /nfs/dbraw/zinc/65/73/10/388657310.db2.gz OJCBEEGCSPXYIX-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP COC[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247468594 388664245 /nfs/dbraw/zinc/66/42/45/388664245.db2.gz JAODHPZISLFHQD-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247468594 388664247 /nfs/dbraw/zinc/66/42/47/388664247.db2.gz JAODHPZISLFHQD-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247468594 388664249 /nfs/dbraw/zinc/66/42/49/388664249.db2.gz JAODHPZISLFHQD-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H](C)COC ZINC000249964632 388735164 /nfs/dbraw/zinc/73/51/64/388735164.db2.gz WSSMOZHGNCENAX-NWDGAFQWSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)COC ZINC000249964632 388735167 /nfs/dbraw/zinc/73/51/67/388735167.db2.gz WSSMOZHGNCENAX-NWDGAFQWSA-N 2 1 216.369 1.589 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250739468 388739933 /nfs/dbraw/zinc/73/99/33/388739933.db2.gz MLPSMVRUFKLBJA-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250739468 388739935 /nfs/dbraw/zinc/73/99/35/388739935.db2.gz MLPSMVRUFKLBJA-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C[C@H](NCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000128218004 388740938 /nfs/dbraw/zinc/74/09/38/388740938.db2.gz YUVQGINIXMYXRM-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000128218238 388741591 /nfs/dbraw/zinc/74/15/91/388741591.db2.gz YUVQGINIXMYXRM-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000249084018 388708670 /nfs/dbraw/zinc/70/86/70/388708670.db2.gz SWCCVTKYEMONAZ-MBJXGIAVSA-N 2 1 240.391 1.872 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000126978645 388709683 /nfs/dbraw/zinc/70/96/83/388709683.db2.gz JDWJONUNTXIXJN-CYBMUJFWSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000126978645 388709685 /nfs/dbraw/zinc/70/96/85/388709685.db2.gz JDWJONUNTXIXJN-CYBMUJFWSA-N 2 1 245.370 1.964 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCn2cccn2)CC[N@H+]1C ZINC000126982258 388710175 /nfs/dbraw/zinc/71/01/75/388710175.db2.gz ILUGDTKKZDJTBE-CHWSQXEVSA-N 2 1 236.363 1.346 20 0 BDADMP CC(C)OCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000127095217 388714969 /nfs/dbraw/zinc/71/49/69/388714969.db2.gz RZIXMNXONMSPOW-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000226438442 388719949 /nfs/dbraw/zinc/71/99/49/388719949.db2.gz WITPJCBORFEEBZ-RWMBFGLXSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCCO ZINC000229601846 388796565 /nfs/dbraw/zinc/79/65/65/388796565.db2.gz YKPGEGGCBLIIBH-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128485521 388764955 /nfs/dbraw/zinc/76/49/55/388764955.db2.gz JNJCGIABNAEIFR-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CO[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000230314874 388823236 /nfs/dbraw/zinc/82/32/36/388823236.db2.gz JNIGNSLGELRHJN-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000230314874 388823238 /nfs/dbraw/zinc/82/32/38/388823238.db2.gz JNIGNSLGELRHJN-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000230314870 388824088 /nfs/dbraw/zinc/82/40/88/388824088.db2.gz JNIGNSLGELRHJN-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000230314870 388824091 /nfs/dbraw/zinc/82/40/91/388824091.db2.gz JNIGNSLGELRHJN-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129458217 388844903 /nfs/dbraw/zinc/84/49/03/388844903.db2.gz PSPOBDYMHQGCPN-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC12CC2)c1c[nH+]ccc1N ZINC000564651026 388880284 /nfs/dbraw/zinc/88/02/84/388880284.db2.gz LFSWFTDBKBJBOD-KCJUWKMLSA-N 2 1 203.289 1.697 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)[nH]n1 ZINC000564722501 388886220 /nfs/dbraw/zinc/88/62/20/388886220.db2.gz TZIXQLOLTMLZKM-XHVZSJERSA-N 2 1 236.363 1.379 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n[nH]1 ZINC000564722501 388886222 /nfs/dbraw/zinc/88/62/22/388886222.db2.gz TZIXQLOLTMLZKM-XHVZSJERSA-N 2 1 236.363 1.379 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000565784157 388970150 /nfs/dbraw/zinc/97/01/50/388970150.db2.gz UXTXVZFZIIUEBM-NWDGAFQWSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccn(C)n1 ZINC000565422248 388943760 /nfs/dbraw/zinc/94/37/60/388943760.db2.gz SUFRBZGPJPNKMP-LLVKDONJSA-N 2 1 244.342 1.730 20 0 BDADMP CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566089523 388986866 /nfs/dbraw/zinc/98/68/66/388986866.db2.gz KXCNXVKAJWESCN-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP COC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268839066 389004946 /nfs/dbraw/zinc/00/49/46/389004946.db2.gz HHQZXAPCVFBPQG-SNVBAGLBSA-N 2 1 211.309 1.206 20 0 BDADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCC1 ZINC000261968710 533370068 /nfs/dbraw/zinc/37/00/68/533370068.db2.gz QHFNVRGYNVJDOA-MGPQQGTHSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400755624 533375046 /nfs/dbraw/zinc/37/50/46/533375046.db2.gz WXGZIFXUWUKTMK-BDAKNGLRSA-N 2 1 206.280 1.762 20 0 BDADMP Cc1cc(N2CCC[C@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000264299932 132179341 /nfs/dbraw/zinc/17/93/41/132179341.db2.gz TUHDBSORPKWLBD-LBPRGKRZSA-N 2 1 234.347 1.624 20 0 BDADMP CCc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000250523907 132231770 /nfs/dbraw/zinc/23/17/70/132231770.db2.gz QUFMJYFAGGFNFY-CMPLNLGQSA-N 2 1 248.374 1.911 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000333919616 132245489 /nfs/dbraw/zinc/24/54/89/132245489.db2.gz PGVUOEHOSHLMST-UWVGGRQHSA-N 2 1 243.314 1.004 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000333919615 132245507 /nfs/dbraw/zinc/24/55/07/132245507.db2.gz PGVUOEHOSHLMST-NXEZZACHSA-N 2 1 243.314 1.004 20 0 BDADMP C[C@@H](F)CC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000352004783 134034707 /nfs/dbraw/zinc/03/47/07/134034707.db2.gz QCEFAOMAZTZUBG-NEPJUHHUSA-N 2 1 246.370 1.512 20 0 BDADMP C[C@@H](F)CC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000352004783 134034708 /nfs/dbraw/zinc/03/47/08/134034708.db2.gz QCEFAOMAZTZUBG-NEPJUHHUSA-N 2 1 246.370 1.512 20 0 BDADMP Cc1c[nH]nc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000336006215 134048812 /nfs/dbraw/zinc/04/88/12/134048812.db2.gz ANUPIQXNYRASPB-YHWZYXNKSA-N 2 1 248.374 1.823 20 0 BDADMP Cc1cn[nH]c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000336006215 134048813 /nfs/dbraw/zinc/04/88/13/134048813.db2.gz ANUPIQXNYRASPB-YHWZYXNKSA-N 2 1 248.374 1.823 20 0 BDADMP Cc1cn[nH]c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000336006215 134048814 /nfs/dbraw/zinc/04/88/14/134048814.db2.gz ANUPIQXNYRASPB-YHWZYXNKSA-N 2 1 248.374 1.823 20 0 BDADMP Cc1cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)o1 ZINC000336021381 134055519 /nfs/dbraw/zinc/05/55/19/134055519.db2.gz KARIOARJXACXJH-ZDUSSCGKSA-N 2 1 249.358 1.805 20 0 BDADMP C[C@H]1NCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000336079457 134074074 /nfs/dbraw/zinc/07/40/74/134074074.db2.gz KNKFFXWEJKGFQW-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178706507 134313435 /nfs/dbraw/zinc/31/34/35/134313435.db2.gz MLFXQTREPFAZHA-VXGBXAGGSA-N 2 1 239.363 1.842 20 0 BDADMP COC1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000221214997 134322723 /nfs/dbraw/zinc/32/27/23/134322723.db2.gz BFQQHDWOFMKXMW-LJZITESISA-N 2 1 238.375 1.769 20 0 BDADMP COC1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000221214997 134322724 /nfs/dbraw/zinc/32/27/24/134322724.db2.gz BFQQHDWOFMKXMW-LJZITESISA-N 2 1 238.375 1.769 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221388743 134323582 /nfs/dbraw/zinc/32/35/82/134323582.db2.gz QWILHNZOHWUPLU-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221388743 134323583 /nfs/dbraw/zinc/32/35/83/134323583.db2.gz QWILHNZOHWUPLU-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000181353479 134335797 /nfs/dbraw/zinc/33/57/97/134335797.db2.gz DITXTYVORMTEJH-CYZMBNFOSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000181353479 134335798 /nfs/dbraw/zinc/33/57/98/134335798.db2.gz DITXTYVORMTEJH-CYZMBNFOSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000223217730 134337787 /nfs/dbraw/zinc/33/77/87/134337787.db2.gz MHTDNIYVGZITHB-RQJABVFESA-N 3 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223217730 134337788 /nfs/dbraw/zinc/33/77/88/134337788.db2.gz MHTDNIYVGZITHB-RQJABVFESA-N 3 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223217730 134337789 /nfs/dbraw/zinc/33/77/89/134337789.db2.gz MHTDNIYVGZITHB-RQJABVFESA-N 3 1 239.407 1.399 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000223820198 134343111 /nfs/dbraw/zinc/34/31/11/134343111.db2.gz BQRPEGPHLAZCMZ-ZIAGYGMSSA-N 2 1 238.375 1.628 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000224533678 134348647 /nfs/dbraw/zinc/34/86/47/134348647.db2.gz KRLJHKXICCIBRX-QWHCGFSZSA-N 2 1 240.391 1.874 20 0 BDADMP CCCNC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226431102 134365594 /nfs/dbraw/zinc/36/55/94/134365594.db2.gz NUEZOQRFDSXSRA-NWDGAFQWSA-N 2 1 243.395 1.206 20 0 BDADMP CCCNC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226431102 134365595 /nfs/dbraw/zinc/36/55/95/134365595.db2.gz NUEZOQRFDSXSRA-NWDGAFQWSA-N 2 1 243.395 1.206 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCO)CC[C@H]21 ZINC000227342915 134378079 /nfs/dbraw/zinc/37/80/79/134378079.db2.gz YEAFRILIHGCUDH-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCO)CC[C@H]21 ZINC000227342915 134378080 /nfs/dbraw/zinc/37/80/80/134378080.db2.gz YEAFRILIHGCUDH-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCO)CC[C@H]21 ZINC000227342915 134378081 /nfs/dbraw/zinc/37/80/81/134378081.db2.gz YEAFRILIHGCUDH-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP c1cn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250249980 135052061 /nfs/dbraw/zinc/05/20/61/135052061.db2.gz ORZJBZHPQSLSCB-OLZOCXBDSA-N 3 1 234.347 1.100 20 0 BDADMP CC(C)OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250575923 135053642 /nfs/dbraw/zinc/05/36/42/135053642.db2.gz DJMXOYUARCCXKW-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c[nH]1 ZINC000250789443 135058962 /nfs/dbraw/zinc/05/89/62/135058962.db2.gz POERNKBEYIUTOD-OLZOCXBDSA-N 2 1 219.332 1.731 20 0 BDADMP C(C[NH+]1CCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250834356 135059450 /nfs/dbraw/zinc/05/94/50/135059450.db2.gz KJPGZQRINNWLQT-KBPBESRZSA-N 2 1 237.391 1.299 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251127694 135064261 /nfs/dbraw/zinc/06/42/61/135064261.db2.gz SROXFHWZBBOLIB-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251135233 135065287 /nfs/dbraw/zinc/06/52/87/135065287.db2.gz VFEZPABTLHQQFR-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000251914477 135080935 /nfs/dbraw/zinc/08/09/35/135080935.db2.gz XLLLBAVUSWFOFR-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCc1ccccc1 ZINC000086435885 135084180 /nfs/dbraw/zinc/08/41/80/135084180.db2.gz RGVSKXBFKBEDID-UHFFFAOYSA-N 2 1 222.332 1.136 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000252186832 135086524 /nfs/dbraw/zinc/08/65/24/135086524.db2.gz UKGFSANMQHMMEW-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP c1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674818 135095292 /nfs/dbraw/zinc/09/52/92/135095292.db2.gz UIGFHCMSLSHBDP-KBPBESRZSA-N 2 1 231.343 1.798 20 0 BDADMP c1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674818 135095294 /nfs/dbraw/zinc/09/52/94/135095294.db2.gz UIGFHCMSLSHBDP-KBPBESRZSA-N 2 1 231.343 1.798 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668644 135095959 /nfs/dbraw/zinc/09/59/59/135095959.db2.gz YUPRCUXCEZLMTA-RYUDHWBXSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668644 135095960 /nfs/dbraw/zinc/09/59/60/135095960.db2.gz YUPRCUXCEZLMTA-RYUDHWBXSA-N 2 1 234.347 1.137 20 0 BDADMP CC(C)(C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668158 135095995 /nfs/dbraw/zinc/09/59/95/135095995.db2.gz STIRWBLUBRJMMU-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)(C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668158 135095997 /nfs/dbraw/zinc/09/59/97/135095997.db2.gz STIRWBLUBRJMMU-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000086730373 135096082 /nfs/dbraw/zinc/09/60/82/135096082.db2.gz KCOJQYFQGQFZJH-MWLCHTKSSA-N 2 1 224.373 1.939 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252687460 135097103 /nfs/dbraw/zinc/09/71/03/135097103.db2.gz LJIKXHQFXQLEJM-KXNHARMFSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252687460 135097105 /nfs/dbraw/zinc/09/71/05/135097105.db2.gz LJIKXHQFXQLEJM-KXNHARMFSA-N 2 1 212.337 1.236 20 0 BDADMP CCSCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000252691197 135097225 /nfs/dbraw/zinc/09/72/25/135097225.db2.gz XGXNPNJTYKMUJU-WDEREUQCSA-N 2 1 216.394 1.941 20 0 BDADMP CCSCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000252691197 135097226 /nfs/dbraw/zinc/09/72/26/135097226.db2.gz XGXNPNJTYKMUJU-WDEREUQCSA-N 2 1 216.394 1.941 20 0 BDADMP Clc1c[nH+]ccc1N1CCC[NH2+]CC1 ZINC000086832912 135097791 /nfs/dbraw/zinc/09/77/91/135097791.db2.gz HLRXYKIMSYPNHR-UHFFFAOYSA-N 2 1 211.696 1.535 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703346 135098622 /nfs/dbraw/zinc/09/86/22/135098622.db2.gz XPNRCKVGFIECDV-AVGNSLFASA-N 2 1 226.364 1.364 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703058 135098771 /nfs/dbraw/zinc/09/87/71/135098771.db2.gz DBIFVIOGBOMAEP-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC[NH+]1CCCC1 ZINC000252712747 135099974 /nfs/dbraw/zinc/09/99/74/135099974.db2.gz NGNASSOGARBSRM-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000252712747 135099975 /nfs/dbraw/zinc/09/99/75/135099975.db2.gz NGNASSOGARBSRM-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000252712747 135099976 /nfs/dbraw/zinc/09/99/76/135099976.db2.gz NGNASSOGARBSRM-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)nc(C)[nH+]1 ZINC000086887149 135100354 /nfs/dbraw/zinc/10/03/54/135100354.db2.gz LQCMOEKXANSVGH-KCJUWKMLSA-N 2 1 220.320 1.267 20 0 BDADMP Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000258811935 135102209 /nfs/dbraw/zinc/10/22/09/135102209.db2.gz CPAAMCHTHUNDIQ-CHWSQXEVSA-N 2 1 204.317 1.964 20 0 BDADMP C[C@]1(C[N@H+]2CCC3(CCC3)C2)CC[NH2+]C1 ZINC000261554516 135108426 /nfs/dbraw/zinc/10/84/26/135108426.db2.gz UIQWWGVXLBYWJZ-LBPRGKRZSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000252770674 135108880 /nfs/dbraw/zinc/10/88/80/135108880.db2.gz IBKCHMYWLIVBQT-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252875784 135115086 /nfs/dbraw/zinc/11/50/86/135115086.db2.gz VUUJMUSKLITTDT-IHRRRGAJSA-N 2 1 245.370 1.949 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000253074156 135120302 /nfs/dbraw/zinc/12/03/02/135120302.db2.gz PKUOKWUKAAIKER-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCC1CCOCC1 ZINC000258787533 135134027 /nfs/dbraw/zinc/13/40/27/135134027.db2.gz PSWXKBJSIFHQOZ-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000258884658 135135456 /nfs/dbraw/zinc/13/54/56/135135456.db2.gz GQZJEGYPKRHNMB-STQMWFEESA-N 2 1 204.317 1.964 20 0 BDADMP COc1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000258897171 135135551 /nfs/dbraw/zinc/13/55/51/135135551.db2.gz RMHXSKYYXPZCRA-UHFFFAOYSA-N 2 1 208.305 1.522 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257644441 135137307 /nfs/dbraw/zinc/13/73/07/135137307.db2.gz BTVWAHQUGVFTNI-STQMWFEESA-N 2 1 240.416 1.815 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257652052 135138378 /nfs/dbraw/zinc/13/83/78/135138378.db2.gz DNLAMNZJEOLYDF-CQSZACIVSA-N 2 1 238.375 1.489 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261529843 135156555 /nfs/dbraw/zinc/15/65/55/135156555.db2.gz BNRHRYUUIPFQOH-DTWKUNHWSA-N 2 1 222.254 1.480 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261529843 135156556 /nfs/dbraw/zinc/15/65/56/135156556.db2.gz BNRHRYUUIPFQOH-DTWKUNHWSA-N 2 1 222.254 1.480 20 0 BDADMP CCSCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261529967 135156997 /nfs/dbraw/zinc/15/69/97/135156997.db2.gz WJNFIHNZNATSAA-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261529967 135156998 /nfs/dbraw/zinc/15/69/98/135156998.db2.gz WJNFIHNZNATSAA-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000261530145 135157694 /nfs/dbraw/zinc/15/76/94/135157694.db2.gz XKHRNJLSPWVVKG-WDEREUQCSA-N 2 1 214.378 1.410 20 0 BDADMP CC(C)(C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261531446 135159909 /nfs/dbraw/zinc/15/99/09/135159909.db2.gz GODWNTBNSCIRMF-NWDGAFQWSA-N 2 1 210.365 1.964 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]12 ZINC000261531455 135160233 /nfs/dbraw/zinc/16/02/33/135160233.db2.gz GOSNKUFOSOYWGI-GRYCIOLGSA-N 2 1 222.357 1.917 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261531696 135160778 /nfs/dbraw/zinc/16/07/78/135160778.db2.gz HNCOLRYTGPZFEX-QJPTWQEYSA-N 2 1 226.389 1.423 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261534201 135166425 /nfs/dbraw/zinc/16/64/25/135166425.db2.gz ORDVUJSXEXLFQQ-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261534470 135166541 /nfs/dbraw/zinc/16/65/41/135166541.db2.gz QWEVFCQQAKOYHE-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP c1csc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261534765 135167746 /nfs/dbraw/zinc/16/77/46/135167746.db2.gz MZAIWTSSVGRSRP-JQWIXIFHSA-N 2 1 222.357 1.932 20 0 BDADMP c1csc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261534765 135167748 /nfs/dbraw/zinc/16/77/48/135167748.db2.gz MZAIWTSSVGRSRP-JQWIXIFHSA-N 2 1 222.357 1.932 20 0 BDADMP CCc1nc(N[C@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000261535383 135169282 /nfs/dbraw/zinc/16/92/82/135169282.db2.gz OJHKZOJMMIPUHH-VIFPVBQESA-N 2 1 206.293 1.121 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000261535506 135169636 /nfs/dbraw/zinc/16/96/36/135169636.db2.gz ZXVGZWMAOHXBOF-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCC1 ZINC000261536325 135171387 /nfs/dbraw/zinc/17/13/87/135171387.db2.gz RGMJTHMAGCYOIY-TUAOUCFPSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000261537171 135173757 /nfs/dbraw/zinc/17/37/57/135173757.db2.gz VBXVUKZKLBGDIC-XQHKEYJVSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccco1 ZINC000261537698 135175082 /nfs/dbraw/zinc/17/50/82/135175082.db2.gz WEEZCASXIANOCZ-OUAUKWLOSA-N 2 1 208.305 1.928 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261538453 135176065 /nfs/dbraw/zinc/17/60/65/135176065.db2.gz YEMAZCQPBLFFRI-LLVKDONJSA-N 2 1 225.361 1.622 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261538453 135176067 /nfs/dbraw/zinc/17/60/67/135176067.db2.gz YEMAZCQPBLFFRI-LLVKDONJSA-N 2 1 225.361 1.622 20 0 BDADMP CO[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1C ZINC000261539612 135178205 /nfs/dbraw/zinc/17/82/05/135178205.db2.gz ALRGZEZXOAFTLY-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000261539951 135178697 /nfs/dbraw/zinc/17/86/97/135178697.db2.gz CSPHSWJNPDHTAP-WCQYABFASA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000261539951 135178698 /nfs/dbraw/zinc/17/86/98/135178698.db2.gz CSPHSWJNPDHTAP-WCQYABFASA-N 2 1 236.363 1.633 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCCO1 ZINC000261540744 135180423 /nfs/dbraw/zinc/18/04/23/135180423.db2.gz HQCVBHMGKNJZDQ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000261540951 135180430 /nfs/dbraw/zinc/18/04/30/135180430.db2.gz ARTUXYJVRKYLDA-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000261540951 135180432 /nfs/dbraw/zinc/18/04/32/135180432.db2.gz ARTUXYJVRKYLDA-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261542125 135182552 /nfs/dbraw/zinc/18/25/52/135182552.db2.gz BVIWQPVHFLACGH-SAXRGWBVSA-N 2 1 231.343 1.812 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261543054 135184147 /nfs/dbraw/zinc/18/41/47/135184147.db2.gz CRFAIOXXQKBQFR-STQMWFEESA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261543054 135184148 /nfs/dbraw/zinc/18/41/48/135184148.db2.gz CRFAIOXXQKBQFR-STQMWFEESA-N 2 1 231.343 1.431 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261544128 135185446 /nfs/dbraw/zinc/18/54/46/135185446.db2.gz XAIQCHNTBQJXPS-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@H](NCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000261548898 135187354 /nfs/dbraw/zinc/18/73/54/135187354.db2.gz OAOPSRSJSOXDDF-JSGCOSHPSA-N 2 1 233.359 1.198 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000084216424 135193190 /nfs/dbraw/zinc/19/31/90/135193190.db2.gz QPSGCSLYFZEQBZ-ONGXEEELSA-N 2 1 208.309 1.017 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3cccnc3)C[C@@H]12 ZINC000261553894 135193454 /nfs/dbraw/zinc/19/34/54/135193454.db2.gz OKVXLMATTDHKSP-MGPQQGTHSA-N 2 1 231.343 1.293 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261554641 135194265 /nfs/dbraw/zinc/19/42/65/135194265.db2.gz BAAHUFOLXLNSFE-SRVKXCTJSA-N 2 1 247.342 1.265 20 0 BDADMP CCc1nc(N2CCC(C[NH2+]C)CC2)cc(C)[nH+]1 ZINC000261555700 135195531 /nfs/dbraw/zinc/19/55/31/135195531.db2.gz BRGSPMPQVGFFBX-UHFFFAOYSA-N 2 1 248.374 1.783 20 0 BDADMP c1cncc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261556853 135197205 /nfs/dbraw/zinc/19/72/05/135197205.db2.gz REOMWZLOGHTPQI-KGLIPLIRSA-N 2 1 231.343 1.308 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261556853 135197206 /nfs/dbraw/zinc/19/72/06/135197206.db2.gz REOMWZLOGHTPQI-KGLIPLIRSA-N 2 1 231.343 1.308 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557187 135197574 /nfs/dbraw/zinc/19/75/74/135197574.db2.gz RMKGOUANGOQELV-STQMWFEESA-N 2 1 232.327 1.434 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557187 135197575 /nfs/dbraw/zinc/19/75/75/135197575.db2.gz RMKGOUANGOQELV-STQMWFEESA-N 2 1 232.327 1.434 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000261565556 135208047 /nfs/dbraw/zinc/20/80/47/135208047.db2.gz HSQWGFAXSTZEIZ-HNNXBMFYSA-N 2 1 246.354 1.792 20 0 BDADMP Cc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000261568756 135210077 /nfs/dbraw/zinc/21/00/77/135210077.db2.gz FWBLRFYKMNMHLX-UHFFFAOYSA-N 2 1 204.317 1.966 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])s1 ZINC000261570089 135211946 /nfs/dbraw/zinc/21/19/46/135211946.db2.gz GPIKYUJYROGTPI-UHFFFAOYSA-N 2 1 228.361 1.464 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261570981 135212924 /nfs/dbraw/zinc/21/29/24/135212924.db2.gz HGIIEYRPNYLEAJ-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP Cc1ncsc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261571317 135213425 /nfs/dbraw/zinc/21/34/25/135213425.db2.gz HKSHJJNZBBGMAH-HBNTYKKESA-N 2 1 237.372 1.621 20 0 BDADMP CCc1nc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000261572921 135214966 /nfs/dbraw/zinc/21/49/66/135214966.db2.gz MBLWUGFZSWRXKJ-VXGBXAGGSA-N 2 1 248.374 1.911 20 0 BDADMP CCc1nc(N2CCC[C@H]([C@@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000261572918 135215070 /nfs/dbraw/zinc/21/50/70/135215070.db2.gz MBLWUGFZSWRXKJ-NEPJUHHUSA-N 2 1 248.374 1.911 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[NH2+]CC(C)(C)[NH3+] ZINC000261574202 135216108 /nfs/dbraw/zinc/21/61/08/135216108.db2.gz JEUNDDSGUJZYFC-SNVBAGLBSA-N 2 1 222.336 1.124 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000261573430 135216128 /nfs/dbraw/zinc/21/61/28/135216128.db2.gz IURWYZBTDYPZJI-SECBINFHSA-N 2 1 225.361 1.486 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000261573430 135216129 /nfs/dbraw/zinc/21/61/29/135216129.db2.gz IURWYZBTDYPZJI-SECBINFHSA-N 2 1 225.361 1.486 20 0 BDADMP CC[C@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084384878 135218214 /nfs/dbraw/zinc/21/82/14/135218214.db2.gz FZLHEQWEBGRSAA-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000261577019 135218722 /nfs/dbraw/zinc/21/87/22/135218722.db2.gz KTNXOGHHROCEPJ-JTQLQIEISA-N 2 1 209.293 1.235 20 0 BDADMP Cc1ncccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000261579246 135220125 /nfs/dbraw/zinc/22/01/25/135220125.db2.gz MHENRBLVLBFTNO-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Cc1ncccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000261579246 135220126 /nfs/dbraw/zinc/22/01/26/135220126.db2.gz MHENRBLVLBFTNO-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000261580705 135221854 /nfs/dbraw/zinc/22/18/54/135221854.db2.gz NCOPPTUZYVTCDG-AVGNSLFASA-N 2 1 224.348 1.097 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCC1CCCCC1 ZINC000261582381 135223621 /nfs/dbraw/zinc/22/36/21/135223621.db2.gz OHVOYOXRCGCYPH-UHFFFAOYSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261596172 135236130 /nfs/dbraw/zinc/23/61/30/135236130.db2.gz YOVHKFXWZPGIFH-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261609212 135237974 /nfs/dbraw/zinc/23/79/74/135237974.db2.gz BSIBUWAXRRWVIY-ZDUSSCGKSA-N 2 1 219.332 1.440 20 0 BDADMP C[C@H]1CSCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261547010 135239080 /nfs/dbraw/zinc/23/90/80/135239080.db2.gz LOERQXDSPGWNMX-NEPJUHHUSA-N 2 1 228.405 1.671 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261547813 135240907 /nfs/dbraw/zinc/24/09/07/135240907.db2.gz IOYNKAGDZPKHKC-STQMWFEESA-N 3 1 236.363 1.299 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261628492 135242111 /nfs/dbraw/zinc/24/21/11/135242111.db2.gz DJSYHWMPLNAKKS-RISCZKNCSA-N 2 1 233.359 1.971 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC000261628492 135242112 /nfs/dbraw/zinc/24/21/12/135242112.db2.gz DJSYHWMPLNAKKS-RISCZKNCSA-N 2 1 233.359 1.971 20 0 BDADMP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H](C)C[N@H+]1C ZINC000261654263 135242328 /nfs/dbraw/zinc/24/23/28/135242328.db2.gz BGTBJKWNSHSIJM-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC000261785398 135252436 /nfs/dbraw/zinc/25/24/36/135252436.db2.gz PSHUDJCBYOYXDS-HZSPNIEDSA-N 3 1 237.391 1.045 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261796115 135253276 /nfs/dbraw/zinc/25/32/76/135253276.db2.gz GPHJXQAIDFGZEA-VXGBXAGGSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261796115 135253277 /nfs/dbraw/zinc/25/32/77/135253277.db2.gz GPHJXQAIDFGZEA-VXGBXAGGSA-N 2 1 236.363 1.633 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261846904 135256909 /nfs/dbraw/zinc/25/69/09/135256909.db2.gz AXNLTOGLWZFEQV-RKQHYHRCSA-N 2 1 238.375 1.389 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261846891 135257025 /nfs/dbraw/zinc/25/70/25/135257025.db2.gz AXNLTOGLWZFEQV-DHGKCCLASA-N 2 1 238.375 1.389 20 0 BDADMP C[C@]1(C[N@@H+](C[C@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871915 135259429 /nfs/dbraw/zinc/25/94/29/135259429.db2.gz OZWXSKINKUUBCX-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261882477 135260246 /nfs/dbraw/zinc/26/02/46/135260246.db2.gz UTJJXJNTGLIFIA-LBPRGKRZSA-N 2 1 222.336 1.197 20 0 BDADMP CC(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261899480 135261190 /nfs/dbraw/zinc/26/11/90/135261190.db2.gz HNZDLIOWVMKOJW-JHJVBQTASA-N 2 1 226.364 1.389 20 0 BDADMP CN(CC[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000261903155 135261602 /nfs/dbraw/zinc/26/16/02/135261602.db2.gz WTSJXTINIWGWRF-OAHLLOKOSA-N 2 1 247.386 1.794 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261912853 135262753 /nfs/dbraw/zinc/26/27/53/135262753.db2.gz JMGCIFDGHCPXNU-CYBMUJFWSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)[C@H](C)O1 ZINC000261921900 135263766 /nfs/dbraw/zinc/26/37/66/135263766.db2.gz KPMAJPRVFJVTON-UTUOFQBUSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000261928562 135263772 /nfs/dbraw/zinc/26/37/72/135263772.db2.gz LGZTUIATVLDGDA-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1[C@H](C)N(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000261928555 135263825 /nfs/dbraw/zinc/26/38/25/135263825.db2.gz LGZTUIATVLDGDA-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000261966902 135266818 /nfs/dbraw/zinc/26/68/18/135266818.db2.gz PXXUKNXXQIBCPR-MGPQQGTHSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000261966902 135266820 /nfs/dbraw/zinc/26/68/20/135266820.db2.gz PXXUKNXXQIBCPR-MGPQQGTHSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000261979636 135269007 /nfs/dbraw/zinc/26/90/07/135269007.db2.gz RDBKUZWYIAHCST-NEPJUHHUSA-N 2 1 225.380 1.010 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261998128 135271253 /nfs/dbraw/zinc/27/12/53/135271253.db2.gz TVQNWBLQSCWQFF-UBHSHLNASA-N 2 1 248.374 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261998128 135271254 /nfs/dbraw/zinc/27/12/54/135271254.db2.gz TVQNWBLQSCWQFF-UBHSHLNASA-N 2 1 248.374 1.633 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262042319 135276290 /nfs/dbraw/zinc/27/62/90/135276290.db2.gz YRGRVZYPRBIHGD-KVSVUVNWSA-N 2 1 224.348 1.142 20 0 BDADMP CCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000262080555 135277498 /nfs/dbraw/zinc/27/74/98/135277498.db2.gz AXOMRLMSFKEHPZ-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262129490 135280675 /nfs/dbraw/zinc/28/06/75/135280675.db2.gz NTRIIWMJRVOCAS-NXEZZACHSA-N 2 1 236.306 1.327 20 0 BDADMP C[N@H+](CCc1nccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000262136228 135281392 /nfs/dbraw/zinc/28/13/92/135281392.db2.gz YTHHEJIINSXFAN-LBPRGKRZSA-N 2 1 239.388 1.617 20 0 BDADMP C[N@@H+](CCc1nccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000262136228 135281393 /nfs/dbraw/zinc/28/13/93/135281393.db2.gz YTHHEJIINSXFAN-LBPRGKRZSA-N 2 1 239.388 1.617 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000262144496 135281544 /nfs/dbraw/zinc/28/15/44/135281544.db2.gz ZKHSEAZLCJCXFU-FQUUOJAGSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@]1(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000262144496 135281546 /nfs/dbraw/zinc/28/15/46/135281546.db2.gz ZKHSEAZLCJCXFU-FQUUOJAGSA-N 2 1 237.391 1.045 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000262709231 135314731 /nfs/dbraw/zinc/31/47/31/135314731.db2.gz OQKSSRZMUJCFNW-VXGBXAGGSA-N 2 1 243.395 1.208 20 0 BDADMP C[C@@H]1CCN(CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263021750 135327211 /nfs/dbraw/zinc/32/72/11/135327211.db2.gz QZBXIGSCFOQZBC-CQSZACIVSA-N 2 1 247.386 1.542 20 0 BDADMP CCC[C@H](C)C[N@@H+](C)C1CCN(CCO)CC1 ZINC000342945327 135337905 /nfs/dbraw/zinc/33/79/05/135337905.db2.gz XKCKMVTWMQNPHN-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCSC1 ZINC000299962791 135383174 /nfs/dbraw/zinc/38/31/74/135383174.db2.gz GXEOXROYBYBUKJ-DDHJBXDOSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000348156668 136040761 /nfs/dbraw/zinc/04/07/61/136040761.db2.gz ITHHUOWOUMUFOI-SAVGLBRCSA-N 2 1 232.318 1.958 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)no1 ZINC000335396404 136092426 /nfs/dbraw/zinc/09/24/26/136092426.db2.gz PNUSMUUBTCDMKP-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000335554134 136098835 /nfs/dbraw/zinc/09/88/35/136098835.db2.gz DKMGUXNYRYURIF-CPCZMJQVSA-N 3 1 225.380 1.201 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]c2ccsc21 ZINC000335595572 136104562 /nfs/dbraw/zinc/10/45/62/136104562.db2.gz OEARDAKSAINKKT-HTQZYQBOSA-N 2 1 221.329 1.866 20 0 BDADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000335562278 136106577 /nfs/dbraw/zinc/10/65/77/136106577.db2.gz BKQHDQJJTXBGKT-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335570841 136109174 /nfs/dbraw/zinc/10/91/74/136109174.db2.gz VTNYHRZSSFXXBT-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335570841 136109175 /nfs/dbraw/zinc/10/91/75/136109175.db2.gz VTNYHRZSSFXXBT-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335570841 136109176 /nfs/dbraw/zinc/10/91/76/136109176.db2.gz VTNYHRZSSFXXBT-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC1(OC)CCCC1 ZINC000319218824 397887643 /nfs/dbraw/zinc/88/76/43/397887643.db2.gz SOMZCDAFKONPLG-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1(OC)CCCC1 ZINC000319218824 397887646 /nfs/dbraw/zinc/88/76/46/397887646.db2.gz SOMZCDAFKONPLG-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000649528508 397921098 /nfs/dbraw/zinc/92/10/98/397921098.db2.gz LSPUCVNHRPRWTL-ZIAGYGMSSA-N 2 1 237.391 1.249 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000649528508 397921104 /nfs/dbraw/zinc/92/11/04/397921104.db2.gz LSPUCVNHRPRWTL-ZIAGYGMSSA-N 2 1 237.391 1.249 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000649528508 397921108 /nfs/dbraw/zinc/92/11/08/397921108.db2.gz LSPUCVNHRPRWTL-ZIAGYGMSSA-N 2 1 237.391 1.249 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414831554 398050214 /nfs/dbraw/zinc/05/02/14/398050214.db2.gz CLULFWRCDSJLAF-WDEREUQCSA-N 2 1 202.342 1.374 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC000160602851 398016361 /nfs/dbraw/zinc/01/63/61/398016361.db2.gz LAUMHCXFDXUTRD-BDAKNGLRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000160602851 398016364 /nfs/dbraw/zinc/01/63/64/398016364.db2.gz LAUMHCXFDXUTRD-BDAKNGLRSA-N 2 1 211.334 1.312 20 0 BDADMP [NH3+]CCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000414689245 398018573 /nfs/dbraw/zinc/01/85/73/398018573.db2.gz FOOOBUKQIDYHEM-HNNXBMFYSA-N 2 1 248.370 1.707 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121493920 398019513 /nfs/dbraw/zinc/01/95/13/398019513.db2.gz NFESNKGWPOBMTA-NEPJUHHUSA-N 2 1 239.363 1.842 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)[C@H](C)C1 ZINC000649700276 398047695 /nfs/dbraw/zinc/04/76/95/398047695.db2.gz DZEUWCRBPCAUSY-IKOXMDCHSA-N 2 1 240.391 1.872 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414705283 398021114 /nfs/dbraw/zinc/02/11/14/398021114.db2.gz LIBPHHYBFXBYBA-ZIAGYGMSSA-N 2 1 241.423 1.633 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000383887214 398047880 /nfs/dbraw/zinc/04/78/80/398047880.db2.gz TXEYVJPFKJNIPF-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CCc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000234157022 398024000 /nfs/dbraw/zinc/02/40/00/398024000.db2.gz PQSIJCPODBCSFB-KCJUWKMLSA-N 2 1 220.320 1.131 20 0 BDADMP COCC1(C[NH2+]CCn2cc[nH+]c2C)CCC1 ZINC000383622726 398031100 /nfs/dbraw/zinc/03/11/00/398031100.db2.gz VOKHUQPZQSULLF-UHFFFAOYSA-N 2 1 237.347 1.598 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781802 398037545 /nfs/dbraw/zinc/03/75/45/398037545.db2.gz DDCLLQBOIBXZNG-XDQVBPFNSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781802 398037549 /nfs/dbraw/zinc/03/75/49/398037549.db2.gz DDCLLQBOIBXZNG-XDQVBPFNSA-N 3 1 237.391 1.058 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000382764332 397972029 /nfs/dbraw/zinc/97/20/29/397972029.db2.gz SHVOXUGOPMZQPF-GWCFXTLKSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000382764332 397972033 /nfs/dbraw/zinc/97/20/33/397972033.db2.gz SHVOXUGOPMZQPF-GWCFXTLKSA-N 2 1 238.331 1.595 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000566123375 398097318 /nfs/dbraw/zinc/09/73/18/398097318.db2.gz IPYVKQNFIPPSSF-SNVBAGLBSA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000566123375 398097323 /nfs/dbraw/zinc/09/73/23/398097323.db2.gz IPYVKQNFIPPSSF-SNVBAGLBSA-N 2 1 248.317 1.076 20 0 BDADMP Cc1cc(N)cc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414969808 398131670 /nfs/dbraw/zinc/13/16/70/398131670.db2.gz UDHVCPDMRHXXKC-UHFFFAOYSA-N 2 1 207.321 1.404 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649822495 398124357 /nfs/dbraw/zinc/12/43/57/398124357.db2.gz IICSLAQUNHQLMI-GFCCVEGCSA-N 2 1 249.358 1.835 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649822495 398124359 /nfs/dbraw/zinc/12/43/59/398124359.db2.gz IICSLAQUNHQLMI-GFCCVEGCSA-N 2 1 249.358 1.835 20 0 BDADMP C[N@@H+](C[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCOC1 ZINC000685577779 487557394 /nfs/dbraw/zinc/55/73/94/487557394.db2.gz HOFSCVSQVUCDKG-STQMWFEESA-N 2 1 249.358 1.556 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000259083828 322881735 /nfs/dbraw/zinc/88/17/35/322881735.db2.gz RHYDPXCIFWTEEK-NWDGAFQWSA-N 2 1 248.326 1.427 20 0 BDADMP C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CCC[NH3+] ZINC000020419991 487574764 /nfs/dbraw/zinc/57/47/64/487574764.db2.gz DENDJDSAMGDSAF-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CCC[NH3+] ZINC000020419991 487574769 /nfs/dbraw/zinc/57/47/69/487574769.db2.gz DENDJDSAMGDSAF-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP CC(C)OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049260915 167228694 /nfs/dbraw/zinc/22/86/94/167228694.db2.gz QKAZGFJSYXLNMJ-FUNVUKJBSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1C ZINC000178310593 487609388 /nfs/dbraw/zinc/60/93/88/487609388.db2.gz HQWIWPUHCWDLNV-YYHQMBLXSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1C ZINC000178310593 487609391 /nfs/dbraw/zinc/60/93/91/487609391.db2.gz HQWIWPUHCWDLNV-YYHQMBLXSA-N 2 1 224.348 1.379 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000662265955 409564720 /nfs/dbraw/zinc/56/47/20/409564720.db2.gz UZRDWSJTBBMNAG-PSASIEDQSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000662265955 409564734 /nfs/dbraw/zinc/56/47/34/409564734.db2.gz UZRDWSJTBBMNAG-PSASIEDQSA-N 2 1 209.293 1.152 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[NH2+]CC1)C1CCCCC1 ZINC000662241718 409528725 /nfs/dbraw/zinc/52/87/25/409528725.db2.gz WBNRDFGZOPJERN-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[NH2+]CC1)C1CCCCC1 ZINC000662241718 409528732 /nfs/dbraw/zinc/52/87/32/409528732.db2.gz WBNRDFGZOPJERN-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000662244135 409536034 /nfs/dbraw/zinc/53/60/34/409536034.db2.gz CRKCLSGTRUXEJG-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@](C[NH3+])([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000662247829 409543145 /nfs/dbraw/zinc/54/31/45/409543145.db2.gz MJPOIAUBSCTULY-NOHGZBONSA-N 2 1 208.349 1.750 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCC1 ZINC000662276588 409590229 /nfs/dbraw/zinc/59/02/29/409590229.db2.gz KQDXZJUVDQYCLD-YUSALJHKSA-N 2 1 212.337 1.081 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCC1 ZINC000662276588 409590236 /nfs/dbraw/zinc/59/02/36/409590236.db2.gz KQDXZJUVDQYCLD-YUSALJHKSA-N 2 1 212.337 1.081 20 0 BDADMP CC[N@@H+](CCOC)[C@@H]1CCC[NH2+]CC1 ZINC000082666824 409850730 /nfs/dbraw/zinc/85/07/30/409850730.db2.gz IKIRWODBPLOELL-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000308793837 409906059 /nfs/dbraw/zinc/90/60/59/409906059.db2.gz BTVQZJUIZNFMDU-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000308793837 409906062 /nfs/dbraw/zinc/90/60/62/409906062.db2.gz BTVQZJUIZNFMDU-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000308793837 409906069 /nfs/dbraw/zinc/90/60/69/409906069.db2.gz BTVQZJUIZNFMDU-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000308793837 409906074 /nfs/dbraw/zinc/90/60/74/409906074.db2.gz BTVQZJUIZNFMDU-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000051919264 409940919 /nfs/dbraw/zinc/94/09/19/409940919.db2.gz SRBCDBYEKNDQBF-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C1 ZINC000309018455 410196875 /nfs/dbraw/zinc/19/68/75/410196875.db2.gz SCIREEXXSBUPKF-RYUDHWBXSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C1 ZINC000309018455 410196885 /nfs/dbraw/zinc/19/68/85/410196885.db2.gz SCIREEXXSBUPKF-RYUDHWBXSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C1 ZINC000309018455 410196894 /nfs/dbraw/zinc/19/68/94/410196894.db2.gz SCIREEXXSBUPKF-RYUDHWBXSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707259 410337759 /nfs/dbraw/zinc/33/77/59/410337759.db2.gz BVMLLJFRBGZEMV-MELADBBJSA-N 2 1 240.391 1.861 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000650714315 410347361 /nfs/dbraw/zinc/34/73/61/410347361.db2.gz YMUXLSHHABIKBK-OLZOCXBDSA-N 3 1 239.407 1.435 20 0 BDADMP CCN1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000650714315 410347368 /nfs/dbraw/zinc/34/73/68/410347368.db2.gz YMUXLSHHABIKBK-OLZOCXBDSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H](CO)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000650714939 410348217 /nfs/dbraw/zinc/34/82/17/410348217.db2.gz IAOBMYHZHPOADU-JTQLQIEISA-N 2 1 214.353 1.064 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@H+]1C ZINC000650744589 410381543 /nfs/dbraw/zinc/38/15/43/410381543.db2.gz RILJYGNFQLWRGG-NWDGAFQWSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CCN1C ZINC000650744589 410381549 /nfs/dbraw/zinc/38/15/49/410381549.db2.gz RILJYGNFQLWRGG-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCCCN1 ZINC000650747710 410387798 /nfs/dbraw/zinc/38/77/98/410387798.db2.gz GDLIMMRQFMZSLK-NWDGAFQWSA-N 2 1 225.380 1.236 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748653 410390413 /nfs/dbraw/zinc/39/04/13/410390413.db2.gz YWJXASOXWJKIPA-RYUDHWBXSA-N 2 1 225.380 1.365 20 0 BDADMP C[NH2+]Cc1ccccc1CN[C@H](C)C1C[NH2+]C1 ZINC000650756094 410401662 /nfs/dbraw/zinc/40/16/62/410401662.db2.gz UNHQWQVPSUKQJH-LLVKDONJSA-N 2 1 233.359 1.104 20 0 BDADMP Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000665232976 410724130 /nfs/dbraw/zinc/72/41/30/410724130.db2.gz YNUFAAOLTSOCKG-UHFFFAOYSA-N 2 1 245.370 1.985 20 0 BDADMP CC[C@@H](COCC1CC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665236582 410726546 /nfs/dbraw/zinc/72/65/46/410726546.db2.gz QAIIAMPTSHSFSM-FPMFFAJLSA-N 2 1 240.391 1.922 20 0 BDADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000665297812 410823805 /nfs/dbraw/zinc/82/38/05/410823805.db2.gz LZAFFJPLNYVOTE-UMSGYPCISA-N 2 1 225.380 1.057 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000309238503 410903932 /nfs/dbraw/zinc/90/39/32/410903932.db2.gz KCKDXCXPEGOUFB-XQQFMLRXSA-N 2 1 230.396 1.712 20 0 BDADMP CC(C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000037480282 167101768 /nfs/dbraw/zinc/10/17/68/167101768.db2.gz IRWKRNQXMCOPBC-UHFFFAOYSA-N 2 1 213.369 1.012 20 0 BDADMP CC(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336679128 167122804 /nfs/dbraw/zinc/12/28/04/167122804.db2.gz FPKMXVZWJPJDBK-UHFFFAOYSA-N 2 1 213.350 1.703 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252789916 167233888 /nfs/dbraw/zinc/23/38/88/167233888.db2.gz YHVYZVYHIKVTIX-QWRGUYRKSA-N 2 1 200.326 1.081 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCCCO ZINC000398505157 410970599 /nfs/dbraw/zinc/97/05/99/410970599.db2.gz BFAAQZROBZZPQV-RYUDHWBXSA-N 2 1 216.369 1.645 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000300016276 411076797 /nfs/dbraw/zinc/07/67/97/411076797.db2.gz MFQBZAQSIBGTQS-CHWSQXEVSA-N 2 1 236.363 1.022 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000400634478 411157388 /nfs/dbraw/zinc/15/73/88/411157388.db2.gz QAOSFZNXXSHTJB-RDBSUJKOSA-N 2 1 238.375 1.474 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCCC[C@@H]1CO ZINC000653783941 411170084 /nfs/dbraw/zinc/17/00/84/411170084.db2.gz YTZKUOPWVFZKQD-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCCC[C@@H]1CO ZINC000653783941 411170088 /nfs/dbraw/zinc/17/00/88/411170088.db2.gz YTZKUOPWVFZKQD-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCCC[C@@H]1CO ZINC000653783941 411170093 /nfs/dbraw/zinc/17/00/93/411170093.db2.gz YTZKUOPWVFZKQD-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2CCOCC2)C1 ZINC000401710281 411170674 /nfs/dbraw/zinc/17/06/74/411170674.db2.gz DHYQHBQXHPGFOZ-CMPLNLGQSA-N 2 1 212.337 1.001 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCCC[C@H]1CO ZINC000653784009 411171020 /nfs/dbraw/zinc/17/10/20/411171020.db2.gz BMTUADDBSLTIAB-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222110 411175988 /nfs/dbraw/zinc/17/59/88/411175988.db2.gz FVVNBDAJHKZTAS-QWHCGFSZSA-N 2 1 230.396 1.977 20 0 BDADMP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[NH2+]CC1 ZINC000401080187 411176791 /nfs/dbraw/zinc/17/67/91/411176791.db2.gz VSOYYKXRNLVKKD-UHFFFAOYSA-N 3 1 225.380 1.062 20 0 BDADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[NH2+]CC1 ZINC000401080187 411176796 /nfs/dbraw/zinc/17/67/96/411176796.db2.gz VSOYYKXRNLVKKD-UHFFFAOYSA-N 3 1 225.380 1.062 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000652286170 411188427 /nfs/dbraw/zinc/18/84/27/411188427.db2.gz OQKHXMUZEDKJMZ-MBNYWOFBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000652286170 411188429 /nfs/dbraw/zinc/18/84/29/411188429.db2.gz OQKHXMUZEDKJMZ-MBNYWOFBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000656194208 411199998 /nfs/dbraw/zinc/19/99/98/411199998.db2.gz DTIKEXNADARRQC-GRYCIOLGSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000652338156 411204133 /nfs/dbraw/zinc/20/41/33/411204133.db2.gz GULMOMJZGQMOJZ-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000656200319 411204808 /nfs/dbraw/zinc/20/48/08/411204808.db2.gz LOXPBLHCRKHCGM-UKRRQHHQSA-N 2 1 247.386 1.971 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCCC[C@H]2N)C1 ZINC000656200122 411204909 /nfs/dbraw/zinc/20/49/09/411204909.db2.gz JXZVQXYICSEAFW-XJFOESAGSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000656201231 411206490 /nfs/dbraw/zinc/20/64/90/411206490.db2.gz LADZTLZSCVLJQC-BZPMIXESSA-N 2 1 233.359 1.743 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345922 411208920 /nfs/dbraw/zinc/20/89/20/411208920.db2.gz PAWPMZGNWWPIAA-XQQFMLRXSA-N 2 1 226.364 1.613 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360798 411216004 /nfs/dbraw/zinc/21/60/04/411216004.db2.gz QOYXAVJEWNGDCJ-IJLUTSLNSA-N 2 1 212.337 1.367 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1(C)CC1 ZINC000310226850 411227621 /nfs/dbraw/zinc/22/76/21/411227621.db2.gz GXBCTAHBSTYIQL-STQMWFEESA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000310226850 411227624 /nfs/dbraw/zinc/22/76/24/411227624.db2.gz GXBCTAHBSTYIQL-STQMWFEESA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000310226850 411227626 /nfs/dbraw/zinc/22/76/26/411227626.db2.gz GXBCTAHBSTYIQL-STQMWFEESA-N 2 1 242.407 1.808 20 0 BDADMP COC[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000658082035 411233333 /nfs/dbraw/zinc/23/33/33/411233333.db2.gz FZAKDFGLNPDSPD-XQQFMLRXSA-N 2 1 244.379 1.110 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000310327199 411234032 /nfs/dbraw/zinc/23/40/32/411234032.db2.gz AXFUIGJJKZFBHF-CHWSQXEVSA-N 2 1 242.407 1.856 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422905644 411235219 /nfs/dbraw/zinc/23/52/19/411235219.db2.gz IMSZIKSIPWEXAY-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423173551 411236399 /nfs/dbraw/zinc/23/63/99/411236399.db2.gz ZDKHFHQPVKFAJX-OLZOCXBDSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(C[C@H]3CC[NH2+]C3)c2C[C@@H]1C ZINC000310411539 411236826 /nfs/dbraw/zinc/23/68/26/411236826.db2.gz LWUANEVCASQWAA-WOPDTQHZSA-N 2 1 233.359 1.863 20 0 BDADMP CC1(C)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]2CCCO[C@@H]21 ZINC000423193452 411237999 /nfs/dbraw/zinc/23/79/99/411237999.db2.gz QSULZDFQPKPGBW-XQHKEYJVSA-N 2 1 238.375 1.532 20 0 BDADMP CC1(C)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]2CCCO[C@H]21 ZINC000423193453 411238202 /nfs/dbraw/zinc/23/82/02/411238202.db2.gz QSULZDFQPKPGBW-YVECIDJPSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000396726909 411240783 /nfs/dbraw/zinc/24/07/83/411240783.db2.gz ZDZBJCQGKAGLHE-SRVKXCTJSA-N 2 1 212.337 1.143 20 0 BDADMP c1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889301 411285694 /nfs/dbraw/zinc/28/56/94/411285694.db2.gz GUACTGSTTVNKMC-CQSZACIVSA-N 2 1 245.370 1.418 20 0 BDADMP C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000051889918 411285713 /nfs/dbraw/zinc/28/57/13/411285713.db2.gz PRAKZJPNIBEMPP-LBPRGKRZSA-N 2 1 222.307 1.867 20 0 BDADMP C[N@H+](Cc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000051889918 411285716 /nfs/dbraw/zinc/28/57/16/411285716.db2.gz PRAKZJPNIBEMPP-LBPRGKRZSA-N 2 1 222.307 1.867 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)C1CCOCC1 ZINC000401715195 411299034 /nfs/dbraw/zinc/29/90/34/411299034.db2.gz KPZPLMSCHDUTPL-GVXVVHGQSA-N 2 1 226.364 1.389 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3(F)CC3)C[C@H]21 ZINC000309420161 411306980 /nfs/dbraw/zinc/30/69/80/411306980.db2.gz XUMCPRMISLXCHB-HBNTYKKESA-N 2 1 212.312 1.548 20 0 BDADMP O[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000656696023 411333027 /nfs/dbraw/zinc/33/30/27/411333027.db2.gz CCLROUGAXBSXTD-BFHYXJOUSA-N 2 1 249.358 1.824 20 0 BDADMP C[C@H](F)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655770979 411252567 /nfs/dbraw/zinc/25/25/67/411252567.db2.gz WFOOSLPDPMVTQE-AAEUAGOBSA-N 2 1 244.354 1.577 20 0 BDADMP c1c(C[C@@H]2CCC[NH2+]C2)nnn1-c1cc[nH+]cc1 ZINC000656441169 411259576 /nfs/dbraw/zinc/25/95/76/411259576.db2.gz URGRGGYPCMBCOB-NSHDSACASA-N 2 1 243.314 1.204 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403877489 411363038 /nfs/dbraw/zinc/36/30/38/411363038.db2.gz SXXCHGRHIGQUGH-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP NC(=O)c1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788249 411367440 /nfs/dbraw/zinc/36/74/40/411367440.db2.gz GLHQHUGKMXLZPF-UHFFFAOYSA-N 2 1 247.342 1.147 20 0 BDADMP NC(=O)c1cccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656788530 411367693 /nfs/dbraw/zinc/36/76/93/411367693.db2.gz UANBAJZPTRLEGY-UHFFFAOYSA-N 2 1 247.342 1.147 20 0 BDADMP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000656789584 411369557 /nfs/dbraw/zinc/36/95/57/411369557.db2.gz RPZFGDLERZZWTF-YNEHKIRRSA-N 2 1 237.391 1.236 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000656790800 411370395 /nfs/dbraw/zinc/37/03/95/411370395.db2.gz ARLVBTCZGGQXHP-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658332964 411340333 /nfs/dbraw/zinc/34/03/33/411340333.db2.gz UWVHKUTXMZAXPV-KKOKHZNYSA-N 2 1 212.337 1.236 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658332964 411340335 /nfs/dbraw/zinc/34/03/35/411340335.db2.gz UWVHKUTXMZAXPV-KKOKHZNYSA-N 2 1 212.337 1.236 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661561 411375876 /nfs/dbraw/zinc/37/58/76/411375876.db2.gz DGSIAXBETKWCKT-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661561 411375883 /nfs/dbraw/zinc/37/58/83/411375883.db2.gz DGSIAXBETKWCKT-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661561 411375885 /nfs/dbraw/zinc/37/58/85/411375885.db2.gz DGSIAXBETKWCKT-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659929118 411384620 /nfs/dbraw/zinc/38/46/20/411384620.db2.gz WYSOCGNDSODJNI-VXGBXAGGSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CO1 ZINC000657294482 411455917 /nfs/dbraw/zinc/45/59/17/411455917.db2.gz REXGNRDIMZTHAH-NEPJUHHUSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)[C@H]1CC[NH3+] ZINC000404398664 411393396 /nfs/dbraw/zinc/39/33/96/411393396.db2.gz PURXOYVYUIZBRI-YPMHNXCESA-N 2 1 236.363 1.369 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000404503947 411399241 /nfs/dbraw/zinc/39/92/41/411399241.db2.gz FXKSPTMCYPSHLW-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000404625106 411402481 /nfs/dbraw/zinc/40/24/81/411402481.db2.gz CDXAXNSWQYPPMP-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000653568297 411423908 /nfs/dbraw/zinc/42/39/08/411423908.db2.gz QETRUWZNKOZIOM-AWEZNQCLSA-N 2 1 249.358 1.465 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000653568297 411423911 /nfs/dbraw/zinc/42/39/11/411423911.db2.gz QETRUWZNKOZIOM-AWEZNQCLSA-N 2 1 249.358 1.465 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000653593805 411428970 /nfs/dbraw/zinc/42/89/70/411428970.db2.gz QQJKGPFIPMZJJM-JTQLQIEISA-N 2 1 243.301 1.940 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000653593805 411428972 /nfs/dbraw/zinc/42/89/72/411428972.db2.gz QQJKGPFIPMZJJM-JTQLQIEISA-N 2 1 243.301 1.940 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)CO1 ZINC000657317406 411463036 /nfs/dbraw/zinc/46/30/36/411463036.db2.gz AOWAPYXYBRVGFI-STQMWFEESA-N 2 1 237.347 1.739 20 0 BDADMP CCO[C@@H]1C[N@H+]([C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405593247 411435375 /nfs/dbraw/zinc/43/53/75/411435375.db2.gz NHRZSIBUICIUJY-HBNTYKKESA-N 2 1 200.326 1.081 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1C[NH3+] ZINC000405815429 411442608 /nfs/dbraw/zinc/44/26/08/411442608.db2.gz VNRQYBDCUJSIJO-TZMCWYRMSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1C[NH3+] ZINC000405815429 411442609 /nfs/dbraw/zinc/44/26/09/411442609.db2.gz VNRQYBDCUJSIJO-TZMCWYRMSA-N 2 1 249.358 1.186 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655738920 411444984 /nfs/dbraw/zinc/44/49/84/411444984.db2.gz QKVKOAFBHABZKZ-ZDUSSCGKSA-N 2 1 246.358 1.570 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655738920 411444985 /nfs/dbraw/zinc/44/49/85/411444985.db2.gz QKVKOAFBHABZKZ-ZDUSSCGKSA-N 2 1 246.358 1.570 20 0 BDADMP COc1cccc2c1CC[C@@H]([NH2+][C@H](C)C[NH3+])C2 ZINC000414924428 411468530 /nfs/dbraw/zinc/46/85/30/411468530.db2.gz HBQHZKDMHZHJPU-ZYHUDNBSSA-N 2 1 234.343 1.489 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CO1 ZINC000657359448 411477469 /nfs/dbraw/zinc/47/74/69/411477469.db2.gz UUELGMMXDFEWIF-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2COC(C)(C)C2)CC1 ZINC000660415160 411488675 /nfs/dbraw/zinc/48/86/75/411488675.db2.gz ALDRBSOLWOIQSS-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659925508 411500404 /nfs/dbraw/zinc/50/04/04/411500404.db2.gz JPDRSVHKPHLVSG-QWRGUYRKSA-N 2 1 248.317 1.294 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659925508 411500405 /nfs/dbraw/zinc/50/04/05/411500405.db2.gz JPDRSVHKPHLVSG-QWRGUYRKSA-N 2 1 248.317 1.294 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000659929016 411502473 /nfs/dbraw/zinc/50/24/73/411502473.db2.gz WIPCOOOROTWWLF-CYBMUJFWSA-N 2 1 208.349 1.836 20 0 BDADMP COC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000659983456 411517621 /nfs/dbraw/zinc/51/76/21/411517621.db2.gz MOPOQBXOORGKFO-AGIUHOORSA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000659983456 411517623 /nfs/dbraw/zinc/51/76/23/411517623.db2.gz MOPOQBXOORGKFO-AGIUHOORSA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000659983456 411517625 /nfs/dbraw/zinc/51/76/25/411517625.db2.gz MOPOQBXOORGKFO-AGIUHOORSA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000659983456 411517627 /nfs/dbraw/zinc/51/76/27/411517627.db2.gz MOPOQBXOORGKFO-AGIUHOORSA-N 2 1 244.379 1.062 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000037484253 170008447 /nfs/dbraw/zinc/00/84/47/170008447.db2.gz MFEMORFQDAJUPX-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000037484253 170008449 /nfs/dbraw/zinc/00/84/49/170008449.db2.gz MFEMORFQDAJUPX-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250337727 170010384 /nfs/dbraw/zinc/01/03/84/170010384.db2.gz PHZLQACNPGKFEQ-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP CC[N@H+]1CC[C@@H](NCc2c[nH]nc2C)[C@@H](C)C1 ZINC000358168931 170012289 /nfs/dbraw/zinc/01/22/89/170012289.db2.gz OIIOLGDOIKBMCO-GXFFZTMASA-N 2 1 236.363 1.538 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2C)[C@@H](C)C1 ZINC000358168931 170012290 /nfs/dbraw/zinc/01/22/90/170012290.db2.gz OIIOLGDOIKBMCO-GXFFZTMASA-N 2 1 236.363 1.538 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2C)[C@@H](C)C1 ZINC000358168931 170012291 /nfs/dbraw/zinc/01/22/91/170012291.db2.gz OIIOLGDOIKBMCO-GXFFZTMASA-N 2 1 236.363 1.538 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000336672811 170016152 /nfs/dbraw/zinc/01/61/52/170016152.db2.gz GOLAWFZXPUPVEV-YVECIDJPSA-N 2 1 210.365 1.962 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360416465 170016381 /nfs/dbraw/zinc/01/63/81/170016381.db2.gz IFGADPOCTBRJGY-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000360416465 170016382 /nfs/dbraw/zinc/01/63/82/170016382.db2.gz IFGADPOCTBRJGY-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000360416465 170016383 /nfs/dbraw/zinc/01/63/83/170016383.db2.gz IFGADPOCTBRJGY-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360416465 170016387 /nfs/dbraw/zinc/01/63/87/170016387.db2.gz IFGADPOCTBRJGY-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360416465 170016389 /nfs/dbraw/zinc/01/63/89/170016389.db2.gz IFGADPOCTBRJGY-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000360416465 170016391 /nfs/dbraw/zinc/01/63/91/170016391.db2.gz IFGADPOCTBRJGY-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000360416465 170016393 /nfs/dbraw/zinc/01/63/93/170016393.db2.gz IFGADPOCTBRJGY-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000339281304 170016763 /nfs/dbraw/zinc/01/67/63/170016763.db2.gz TYCBQGPSEAZZKU-GFCCVEGCSA-N 2 1 234.347 1.216 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000339281304 170016764 /nfs/dbraw/zinc/01/67/64/170016764.db2.gz TYCBQGPSEAZZKU-GFCCVEGCSA-N 2 1 234.347 1.216 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)OC)C[C@@H]1C ZINC000362183645 170017581 /nfs/dbraw/zinc/01/75/81/170017581.db2.gz PWANSSTZAJVPHL-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)OC)C[C@@H]1C ZINC000362183645 170017582 /nfs/dbraw/zinc/01/75/82/170017582.db2.gz PWANSSTZAJVPHL-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)OC)C[C@@H]1C ZINC000362183645 170017583 /nfs/dbraw/zinc/01/75/83/170017583.db2.gz PWANSSTZAJVPHL-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CCC[NH3+])C[C@H]1C ZINC000309786297 170018666 /nfs/dbraw/zinc/01/86/66/170018666.db2.gz ODXBFKNCVVQDMC-NEPJUHHUSA-N 2 1 213.369 1.140 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCO2)C[C@@H]1C ZINC000336682230 170019926 /nfs/dbraw/zinc/01/99/26/170019926.db2.gz DAQXADRQWFUXPO-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCO2)C[C@@H]1C ZINC000336682230 170019928 /nfs/dbraw/zinc/01/99/28/170019928.db2.gz DAQXADRQWFUXPO-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCO2)C[C@@H]1C ZINC000336682230 170019930 /nfs/dbraw/zinc/01/99/30/170019930.db2.gz DAQXADRQWFUXPO-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000336885761 170022275 /nfs/dbraw/zinc/02/22/75/170022275.db2.gz AWSZURGFQSPAHL-AVGNSLFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000336885761 170022276 /nfs/dbraw/zinc/02/22/76/170022276.db2.gz AWSZURGFQSPAHL-AVGNSLFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000336885761 170022277 /nfs/dbraw/zinc/02/22/77/170022277.db2.gz AWSZURGFQSPAHL-AVGNSLFASA-N 2 1 225.380 1.010 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657620908 411566615 /nfs/dbraw/zinc/56/66/15/411566615.db2.gz SIUSUDKEISOSDJ-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000660253648 411560049 /nfs/dbraw/zinc/56/00/49/411560049.db2.gz KPYQKXLTQARMNH-GFCCVEGCSA-N 2 1 226.364 1.220 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1NCC[NH+](C)C ZINC000280035517 170303578 /nfs/dbraw/zinc/30/35/78/170303578.db2.gz LQCJKEYKNMSUEO-UHFFFAOYSA-N 2 1 237.303 1.232 20 0 BDADMP CCOCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000121036942 170370195 /nfs/dbraw/zinc/37/01/95/170370195.db2.gz WYMZCKPLFQKSRX-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000121036942 170370197 /nfs/dbraw/zinc/37/01/97/170370197.db2.gz WYMZCKPLFQKSRX-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121036942 170370200 /nfs/dbraw/zinc/37/02/00/170370200.db2.gz WYMZCKPLFQKSRX-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000308878687 170375094 /nfs/dbraw/zinc/37/50/94/170375094.db2.gz CFXLJPYGXQVCRZ-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000121869959 170375217 /nfs/dbraw/zinc/37/52/17/170375217.db2.gz ORVICWBLGQONKC-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCC[N@@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000121116024 170394392 /nfs/dbraw/zinc/39/43/92/170394392.db2.gz RKWQJWBPEFJREY-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[NH+](CC)CC[C@H]1CCC[N@@H+]1C ZINC000121116024 170394393 /nfs/dbraw/zinc/39/43/93/170394393.db2.gz RKWQJWBPEFJREY-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[NH+](CC)CC[C@H]1CCC[N@H+]1C ZINC000121116024 170394395 /nfs/dbraw/zinc/39/43/95/170394395.db2.gz RKWQJWBPEFJREY-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250397693 170398563 /nfs/dbraw/zinc/39/85/63/170398563.db2.gz PPAFFHSLSCRNGJ-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250397693 170398565 /nfs/dbraw/zinc/39/85/65/170398565.db2.gz PPAFFHSLSCRNGJ-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657790098 411596630 /nfs/dbraw/zinc/59/66/30/411596630.db2.gz NCXKADLYMLIZFJ-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCOC1)C2 ZINC000660654865 411613626 /nfs/dbraw/zinc/61/36/26/411613626.db2.gz IQVSKNNCYPUUMY-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCOC1)C2 ZINC000660654865 411613627 /nfs/dbraw/zinc/61/36/27/411613627.db2.gz IQVSKNNCYPUUMY-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000660654865 411613628 /nfs/dbraw/zinc/61/36/28/411613628.db2.gz IQVSKNNCYPUUMY-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCOCCF)CC[N@H+]1C ZINC000663460673 411662676 /nfs/dbraw/zinc/66/26/76/411662676.db2.gz CMFSLRZFOUERLC-QWRGUYRKSA-N 2 1 218.316 1.045 20 0 BDADMP C[C@]1(C[NH+]2CCC(c3ccon3)CC2)CC[NH2+]C1 ZINC000663500837 411683791 /nfs/dbraw/zinc/68/37/91/411683791.db2.gz PDBRTHRBWBNSAV-AWEZNQCLSA-N 2 1 249.358 1.854 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501841 411685113 /nfs/dbraw/zinc/68/51/13/411685113.db2.gz YRHXQRNCPACYSV-OTTFEQOBSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H](C)C1O ZINC000661620990 411820453 /nfs/dbraw/zinc/82/04/53/411820453.db2.gz CADKCMKRECINNT-JHJVBQTASA-N 2 1 240.391 1.419 20 0 BDADMP Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc[nH+]1 ZINC000664242449 411894845 /nfs/dbraw/zinc/89/48/45/411894845.db2.gz NYDAKTUURIFDLJ-CHWSQXEVSA-N 2 1 249.358 1.333 20 0 BDADMP Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc[nH+]1 ZINC000664242449 411894851 /nfs/dbraw/zinc/89/48/51/411894851.db2.gz NYDAKTUURIFDLJ-CHWSQXEVSA-N 2 1 249.358 1.333 20 0 BDADMP CC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152703 412009710 /nfs/dbraw/zinc/00/97/10/412009710.db2.gz XVSRAHBGBLTJPG-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](CC)[NH2+]C ZINC000664719680 412013510 /nfs/dbraw/zinc/01/35/10/412013510.db2.gz VUFWNUOCSVCHDV-NSHDSACASA-N 2 1 243.395 1.221 20 0 BDADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000662215026 412028357 /nfs/dbraw/zinc/02/83/57/412028357.db2.gz DSAQPNPWDIGGOC-OCCSQVGLSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000042578478 170967474 /nfs/dbraw/zinc/96/74/74/170967474.db2.gz NKYKTQORFVYJLI-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)CC1CC[NH2+]CC1 ZINC000662237551 412034931 /nfs/dbraw/zinc/03/49/31/412034931.db2.gz WNFWQVFWGAZDQJ-LBPRGKRZSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@]1(C(F)F)C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000662239049 412035495 /nfs/dbraw/zinc/03/54/95/412035495.db2.gz UNEUGXVDSAGFHV-LBPRGKRZSA-N 2 1 248.317 1.342 20 0 BDADMP CCc1nocc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662245731 412042578 /nfs/dbraw/zinc/04/25/78/412042578.db2.gz OFOUUPGNIUGCDG-GHMZBOCLSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1nocc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662245731 412042580 /nfs/dbraw/zinc/04/25/80/412042580.db2.gz OFOUUPGNIUGCDG-GHMZBOCLSA-N 2 1 237.347 1.796 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662246374 412042590 /nfs/dbraw/zinc/04/25/90/412042590.db2.gz ROPLTMHPPIZTQZ-IACUBPJLSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662247551 412045373 /nfs/dbraw/zinc/04/53/73/412045373.db2.gz XICWIYNTAGLARJ-FVCCEPFGSA-N 2 1 208.349 1.574 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249935 412046228 /nfs/dbraw/zinc/04/62/28/412046228.db2.gz VSCRIIWQYKSUEZ-FRRDWIJNSA-N 2 1 238.375 1.770 20 0 BDADMP CC(C)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251705 412048601 /nfs/dbraw/zinc/04/86/01/412048601.db2.gz IGNHEFBTNHVEDP-LBPRGKRZSA-N 2 1 224.348 1.380 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252098 412049522 /nfs/dbraw/zinc/04/95/22/412049522.db2.gz JTJNUTCGQPFBRA-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251703 412049646 /nfs/dbraw/zinc/04/96/46/412049646.db2.gz IGNHEFBTNHVEDP-GFCCVEGCSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H](O)CC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255726 412050802 /nfs/dbraw/zinc/05/08/02/412050802.db2.gz QZDDKVJPNCGIFC-LBPRGKRZSA-N 2 1 248.370 1.535 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259141 412054234 /nfs/dbraw/zinc/05/42/34/412054234.db2.gz QUCPLVLMFXRJNR-CHWSQXEVSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259142 412054990 /nfs/dbraw/zinc/05/49/90/412054990.db2.gz QUCPLVLMFXRJNR-OLZOCXBDSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000662266878 412057593 /nfs/dbraw/zinc/05/75/93/412057593.db2.gz PZCROQYOHWWVTG-MWLCHTKSSA-N 2 1 235.331 1.721 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662266878 412057595 /nfs/dbraw/zinc/05/75/95/412057595.db2.gz PZCROQYOHWWVTG-MWLCHTKSSA-N 2 1 235.331 1.721 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000662271527 412062978 /nfs/dbraw/zinc/06/29/78/412062978.db2.gz VVXOLZAQZFSHON-CMPLNLGQSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000662271527 412062983 /nfs/dbraw/zinc/06/29/83/412062983.db2.gz VVXOLZAQZFSHON-CMPLNLGQSA-N 2 1 237.347 1.796 20 0 BDADMP CC[C@H]1C[N@H+](Cc2conc2C)CC[C@H]1[NH3+] ZINC000662271235 412064098 /nfs/dbraw/zinc/06/40/98/412064098.db2.gz UHYUBYNJMBZSEV-CMPLNLGQSA-N 2 1 223.320 1.542 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2conc2C)CC[C@H]1[NH3+] ZINC000662271235 412064100 /nfs/dbraw/zinc/06/41/00/412064100.db2.gz UHYUBYNJMBZSEV-CMPLNLGQSA-N 2 1 223.320 1.542 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233940233 171107047 /nfs/dbraw/zinc/10/70/47/171107047.db2.gz JJWPHLROIHTELN-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000042451985 171114241 /nfs/dbraw/zinc/11/42/41/171114241.db2.gz CGCBKRNMNGPRKH-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000042451985 171114244 /nfs/dbraw/zinc/11/42/44/171114244.db2.gz CGCBKRNMNGPRKH-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274207 412064855 /nfs/dbraw/zinc/06/48/55/412064855.db2.gz SBVFFVZJEVTSNA-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000359463407 171120430 /nfs/dbraw/zinc/12/04/30/171120430.db2.gz ZGVJIBLVZMDXFN-IGQOVBAYSA-N 2 1 238.375 1.343 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCC1 ZINC000662277833 412068699 /nfs/dbraw/zinc/06/86/99/412068699.db2.gz XTEQCWCKVWLWOU-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCC1 ZINC000662277833 412068701 /nfs/dbraw/zinc/06/87/01/412068701.db2.gz XTEQCWCKVWLWOU-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000662276235 412069988 /nfs/dbraw/zinc/06/99/88/412069988.db2.gz HMZKEASJLDPVPA-OPRDCNLKSA-N 2 1 220.307 1.947 20 0 BDADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000662276235 412069990 /nfs/dbraw/zinc/06/99/90/412069990.db2.gz HMZKEASJLDPVPA-OPRDCNLKSA-N 2 1 220.307 1.947 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ncn1 ZINC000662286621 412077716 /nfs/dbraw/zinc/07/77/16/412077716.db2.gz SFXJATJYABIPKI-FZMZJTMJSA-N 2 1 248.374 1.734 20 0 BDADMP CC1([NH3+])CC[NH+](Cc2ccncc2)CC1 ZINC000220148255 412074517 /nfs/dbraw/zinc/07/45/17/412074517.db2.gz YYXWCWXCZLVUTN-UHFFFAOYSA-N 2 1 205.305 1.395 20 0 BDADMP Cc1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)co1 ZINC000662283378 412075681 /nfs/dbraw/zinc/07/56/81/412075681.db2.gz NAZWOQHNGVPKQP-LLVKDONJSA-N 2 1 249.358 1.947 20 0 BDADMP Cn1cncc1CCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662283372 412075874 /nfs/dbraw/zinc/07/58/74/412075874.db2.gz MXILOTAWTGAIPT-UHFFFAOYSA-N 2 1 248.374 1.181 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000300360111 171308697 /nfs/dbraw/zinc/30/86/97/171308697.db2.gz UBHNYMVBXDYTAB-XQQFMLRXSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000300360111 171308698 /nfs/dbraw/zinc/30/86/98/171308698.db2.gz UBHNYMVBXDYTAB-XQQFMLRXSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@H](C)[N@H+](CCO)CCCn1cc[nH+]c1C ZINC000336708683 171312901 /nfs/dbraw/zinc/31/29/01/171312901.db2.gz NYZDTLGJXSFSJD-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP CC[C@H](C)[N@@H+](CCO)CCCn1cc[nH+]c1C ZINC000336708683 171312903 /nfs/dbraw/zinc/31/29/03/171312903.db2.gz NYZDTLGJXSFSJD-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298003 412084742 /nfs/dbraw/zinc/08/47/42/412084742.db2.gz SXWLGFVRXISMQV-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)on1 ZINC000662294021 412081053 /nfs/dbraw/zinc/08/10/53/412081053.db2.gz AECUZBFCDHBZFG-ZDUSSCGKSA-N 2 1 249.358 1.886 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294078 412081227 /nfs/dbraw/zinc/08/12/27/412081227.db2.gz OVAYWNRZQMWTRG-ZDUSSCGKSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276646446 171388595 /nfs/dbraw/zinc/38/85/95/171388595.db2.gz LRKXHMQRCWUHNM-QWRGUYRKSA-N 2 1 209.337 1.987 20 0 BDADMP Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000662299068 412086209 /nfs/dbraw/zinc/08/62/09/412086209.db2.gz JSPCUELDINTLIL-CYBMUJFWSA-N 2 1 230.355 1.963 20 0 BDADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000662319950 412100944 /nfs/dbraw/zinc/10/09/44/412100944.db2.gz RCTLZRKMFCJRDE-HYWTVENDSA-N 2 1 208.349 1.859 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328196 412104982 /nfs/dbraw/zinc/10/49/82/412104982.db2.gz PFJZVBDJRFDOAO-UHFFFAOYSA-N 2 1 246.354 1.583 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000665236818 412177234 /nfs/dbraw/zinc/17/72/34/412177234.db2.gz VCMIFKSZCQVIIO-SRVKXCTJSA-N 2 1 225.380 1.329 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242958 412187128 /nfs/dbraw/zinc/18/71/28/412187128.db2.gz PYVMAUMXSXSQDZ-SDDRHHMPSA-N 2 1 226.364 1.532 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C12CCCC2 ZINC000665242964 412187402 /nfs/dbraw/zinc/18/74/02/412187402.db2.gz QLVYJTMSYWWPDI-AVGNSLFASA-N 2 1 238.375 1.676 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249694 412194853 /nfs/dbraw/zinc/19/48/53/412194853.db2.gz WUVVXLINXLEHSI-SNVBAGLBSA-N 2 1 236.363 1.651 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)[C@H]1CCC[NH2+]1 ZINC000665265238 412209343 /nfs/dbraw/zinc/20/93/43/412209343.db2.gz SSCQLRWBAUCSFH-FVCCEPFGSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000665267243 412210426 /nfs/dbraw/zinc/21/04/26/412210426.db2.gz SNIHKVUHVCWSGP-GMTAPVOTSA-N 2 1 248.317 1.388 20 0 BDADMP [NH3+]C1(CC(=O)N2CC[NH2+]Cc3ccccc32)CC1 ZINC000662410604 412154296 /nfs/dbraw/zinc/15/42/96/412154296.db2.gz TUUXTABTMBXKCJ-UHFFFAOYSA-N 2 1 245.326 1.004 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)[C@H]1CCC[NH2+]1 ZINC000665271719 412213665 /nfs/dbraw/zinc/21/36/65/412213665.db2.gz RDPZPEVHPZQCRH-COLVAYQJSA-N 2 1 245.370 1.986 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665274142 412217544 /nfs/dbraw/zinc/21/75/44/412217544.db2.gz KPBKTTHBRUULMV-MJBXVCDLSA-N 2 1 239.407 1.720 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665274142 412217548 /nfs/dbraw/zinc/21/75/48/412217548.db2.gz KPBKTTHBRUULMV-MJBXVCDLSA-N 2 1 239.407 1.720 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000665274611 412217929 /nfs/dbraw/zinc/21/79/29/412217929.db2.gz UKMZCXYTGMCUMS-YNEHKIRRSA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000665281534 412226364 /nfs/dbraw/zinc/22/63/64/412226364.db2.gz FULAGUMDFXHHHY-QJPTWQEYSA-N 2 1 236.363 1.852 20 0 BDADMP CCn1ccnc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282170 412227984 /nfs/dbraw/zinc/22/79/84/412227984.db2.gz SEZIERWHFLOTJA-VXGBXAGGSA-N 2 1 238.379 1.927 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000665284046 412229609 /nfs/dbraw/zinc/22/96/09/412229609.db2.gz ZKXSHVZAYRERGI-UTUOFQBUSA-N 3 1 213.369 1.077 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000665298357 412247001 /nfs/dbraw/zinc/24/70/01/412247001.db2.gz VGQKXKVZKIROTG-TUAOUCFPSA-N 2 1 228.380 1.776 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662845500 412319495 /nfs/dbraw/zinc/31/94/95/412319495.db2.gz SXOQHBKYERBFNM-PHIMTYICSA-N 2 1 241.379 1.055 20 0 BDADMP CCn1nccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000160249394 172263851 /nfs/dbraw/zinc/26/38/51/172263851.db2.gz FPLDTUHYDVPDAW-UHFFFAOYSA-N 2 1 236.363 1.334 20 0 BDADMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335396969 487625357 /nfs/dbraw/zinc/62/53/57/487625357.db2.gz CKQTVBHPYAYITA-CMPLNLGQSA-N 2 1 225.336 1.376 20 0 BDADMP CC[C@@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335396969 487625363 /nfs/dbraw/zinc/62/53/63/487625363.db2.gz CKQTVBHPYAYITA-CMPLNLGQSA-N 2 1 225.336 1.376 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+](CCO)CC1CC1 ZINC000352492604 173003948 /nfs/dbraw/zinc/00/39/48/173003948.db2.gz ZZVPDMQRQXCCNK-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+](CCO)CC1CC1 ZINC000352492604 173003949 /nfs/dbraw/zinc/00/39/49/173003949.db2.gz ZZVPDMQRQXCCNK-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+](CCO)CC1CC1 ZINC000352492604 173003952 /nfs/dbraw/zinc/00/39/52/173003952.db2.gz ZZVPDMQRQXCCNK-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCF)CC2)C1 ZINC000363479592 173021424 /nfs/dbraw/zinc/02/14/24/173021424.db2.gz TUESCLKPARXQSI-CYBMUJFWSA-N 2 1 243.370 1.058 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C(C)(C)O ZINC000245613609 173028167 /nfs/dbraw/zinc/02/81/67/173028167.db2.gz LZWPCFPQKRSIJL-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000245613609 173028169 /nfs/dbraw/zinc/02/81/69/173028169.db2.gz LZWPCFPQKRSIJL-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000245613609 173028170 /nfs/dbraw/zinc/02/81/70/173028170.db2.gz LZWPCFPQKRSIJL-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CC(N)=O)C(C)(C)C ZINC000125663023 173028589 /nfs/dbraw/zinc/02/85/89/173028589.db2.gz SNHDPWYNIKEPPG-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+](CC(N)=O)C(C)(C)C ZINC000125663023 173028592 /nfs/dbraw/zinc/02/85/92/173028592.db2.gz SNHDPWYNIKEPPG-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+](CC(N)=O)C(C)(C)C ZINC000125663023 173028593 /nfs/dbraw/zinc/02/85/93/173028593.db2.gz SNHDPWYNIKEPPG-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CC(N)=O)C(C)(C)C ZINC000125663023 173028597 /nfs/dbraw/zinc/02/85/97/173028597.db2.gz SNHDPWYNIKEPPG-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000336709959 173028716 /nfs/dbraw/zinc/02/87/16/173028716.db2.gz YJGLGJXUTCPSKC-UPJWGTAASA-N 2 1 224.348 1.334 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000368463267 173029261 /nfs/dbraw/zinc/02/92/61/173029261.db2.gz UAYBWNTVYIGULL-MGPQQGTHSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]CCO)[C@H]1c1ccccc1 ZINC000367489443 173041447 /nfs/dbraw/zinc/04/14/47/173041447.db2.gz MHXURDUFSVWEGX-HUUCEWRRSA-N 2 1 248.370 1.651 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CO)C1 ZINC000305635259 173051240 /nfs/dbraw/zinc/05/12/40/173051240.db2.gz GVXPOWVMAYHYKU-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000305635259 173051242 /nfs/dbraw/zinc/05/12/42/173051242.db2.gz GVXPOWVMAYHYKU-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CO)C1 ZINC000305635259 173051245 /nfs/dbraw/zinc/05/12/45/173051245.db2.gz GVXPOWVMAYHYKU-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3(C)COC3)C2)C1 ZINC000339426157 173062033 /nfs/dbraw/zinc/06/20/33/173062033.db2.gz LDDXZRBWCPTWEH-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3(C)COC3)C2)C1 ZINC000339426157 173062036 /nfs/dbraw/zinc/06/20/36/173062036.db2.gz LDDXZRBWCPTWEH-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3(C)COC3)C2)C1 ZINC000339426157 173062039 /nfs/dbraw/zinc/06/20/39/173062039.db2.gz LDDXZRBWCPTWEH-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000264202739 173116851 /nfs/dbraw/zinc/11/68/51/173116851.db2.gz DWDDWFZCUVSMCA-VIFPVBQESA-N 2 1 231.303 1.322 20 0 BDADMP C[N@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000264202739 173116855 /nfs/dbraw/zinc/11/68/55/173116855.db2.gz DWDDWFZCUVSMCA-VIFPVBQESA-N 2 1 231.303 1.322 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCSC3)[C@@H]2C1 ZINC000366032281 173134143 /nfs/dbraw/zinc/13/41/43/173134143.db2.gz VUIJXBVQTWYCDE-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCSC3)[C@@H]2C1 ZINC000366032281 173134145 /nfs/dbraw/zinc/13/41/45/173134145.db2.gz VUIJXBVQTWYCDE-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CCSC3)[C@@H]2C1 ZINC000366032281 173134147 /nfs/dbraw/zinc/13/41/47/173134147.db2.gz VUIJXBVQTWYCDE-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CCSC3)[C@@H]2C1 ZINC000366032281 173134149 /nfs/dbraw/zinc/13/41/49/173134149.db2.gz VUIJXBVQTWYCDE-JHJVBQTASA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccncc3)C2)C1 ZINC000292155329 173140234 /nfs/dbraw/zinc/14/02/34/173140234.db2.gz NYBVMDZFFUYKRC-OAHLLOKOSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccncc3)C2)C1 ZINC000292155329 173140236 /nfs/dbraw/zinc/14/02/36/173140236.db2.gz NYBVMDZFFUYKRC-OAHLLOKOSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccncc3)C2)C1 ZINC000292155329 173140238 /nfs/dbraw/zinc/14/02/38/173140238.db2.gz NYBVMDZFFUYKRC-OAHLLOKOSA-N 2 1 245.370 1.652 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000037646636 173147502 /nfs/dbraw/zinc/14/75/02/173147502.db2.gz FXWHALFHOBFVHJ-GFCCVEGCSA-N 2 1 230.355 1.695 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000368607980 173152155 /nfs/dbraw/zinc/15/21/55/173152155.db2.gz KCBWPPZTLSNUEG-MELADBBJSA-N 2 1 248.374 1.346 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353621304 173152321 /nfs/dbraw/zinc/15/23/21/173152321.db2.gz LTAHEXCZQJCJBU-RDBSUJKOSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353621304 173152322 /nfs/dbraw/zinc/15/23/22/173152322.db2.gz LTAHEXCZQJCJBU-RDBSUJKOSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@@H]2CCC[C@H]21 ZINC000368610821 173152570 /nfs/dbraw/zinc/15/25/70/173152570.db2.gz BCXLDEHXOPVXJH-RWMBFGLXSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000368607979 173152647 /nfs/dbraw/zinc/15/26/47/173152647.db2.gz KCBWPPZTLSNUEG-IHRRRGAJSA-N 2 1 248.374 1.346 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCCO)[C@H]2CCC[C@H]21 ZINC000353609586 173152719 /nfs/dbraw/zinc/15/27/19/173152719.db2.gz TZCHOLBZTOVEHM-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@@H]2CCC[C@@H]21 ZINC000353433997 173152871 /nfs/dbraw/zinc/15/28/71/173152871.db2.gz HZNYEXNYTPONCJ-XUXIUFHCSA-N 2 1 238.375 1.628 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368606789 173153517 /nfs/dbraw/zinc/15/35/17/173153517.db2.gz FVVPJHFFGTVOPR-QLFBSQMISA-N 2 1 247.386 1.988 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCO)[C@H]2CCC[C@H]21 ZINC000375849204 173153574 /nfs/dbraw/zinc/15/35/74/173153574.db2.gz GGDLRTYASSENRF-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@H]2CCC[C@H]21 ZINC000336774434 173153881 /nfs/dbraw/zinc/15/38/81/173153881.db2.gz WWPSURAKULBHPX-FVCCEPFGSA-N 2 1 240.416 1.954 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCCF)[C@H]2C1 ZINC000367143690 173159321 /nfs/dbraw/zinc/15/93/21/173159321.db2.gz LAJDKWIRFLESTJ-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CCCCF)[C@H]2C1 ZINC000367143690 173159323 /nfs/dbraw/zinc/15/93/23/173159323.db2.gz LAJDKWIRFLESTJ-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CCCCF)[C@H]2C1 ZINC000367143690 173159325 /nfs/dbraw/zinc/15/93/25/173159325.db2.gz LAJDKWIRFLESTJ-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCCF)[C@H]2C1 ZINC000367143690 173159327 /nfs/dbraw/zinc/15/93/27/173159327.db2.gz LAJDKWIRFLESTJ-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000338008135 173165059 /nfs/dbraw/zinc/16/50/59/173165059.db2.gz BOJDJUJAECFTEB-MCIONIFRSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000338008135 173165060 /nfs/dbraw/zinc/16/50/60/173165060.db2.gz BOJDJUJAECFTEB-MCIONIFRSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000335569839 173167400 /nfs/dbraw/zinc/16/74/00/173167400.db2.gz IOHFXJDGNWSXFE-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000335569839 173167402 /nfs/dbraw/zinc/16/74/02/173167402.db2.gz IOHFXJDGNWSXFE-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000335569839 173167404 /nfs/dbraw/zinc/16/74/04/173167404.db2.gz IOHFXJDGNWSXFE-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336659450 173347364 /nfs/dbraw/zinc/34/73/64/173347364.db2.gz BXLKWVINXOTVKC-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000083363441 173349105 /nfs/dbraw/zinc/34/91/05/173349105.db2.gz HYUNGVOWODFGNG-UHFFFAOYSA-N 2 1 236.315 1.172 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000011891952 173370590 /nfs/dbraw/zinc/37/05/90/173370590.db2.gz NPFYZDGJTLVWMS-ZDUSSCGKSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000011891952 173370591 /nfs/dbraw/zinc/37/05/91/173370591.db2.gz NPFYZDGJTLVWMS-ZDUSSCGKSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000053031129 173382215 /nfs/dbraw/zinc/38/22/15/173382215.db2.gz QPJZETUXYTXIAM-VXGBXAGGSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000053031129 173382217 /nfs/dbraw/zinc/38/22/17/173382217.db2.gz QPJZETUXYTXIAM-VXGBXAGGSA-N 2 1 219.332 1.684 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357072310 174177771 /nfs/dbraw/zinc/17/77/71/174177771.db2.gz HDKRAXKPXKFDTA-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP COCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122629438 174183994 /nfs/dbraw/zinc/18/39/94/174183994.db2.gz HTXPEDPJUIYREN-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP COCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122629235 174184769 /nfs/dbraw/zinc/18/47/69/174184769.db2.gz HTXPEDPJUIYREN-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP COCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123409231 174188133 /nfs/dbraw/zinc/18/81/33/174188133.db2.gz KYCKCKXNLXDIOU-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123409231 174188136 /nfs/dbraw/zinc/18/81/36/174188136.db2.gz KYCKCKXNLXDIOU-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123409231 174188138 /nfs/dbraw/zinc/18/81/38/174188138.db2.gz KYCKCKXNLXDIOU-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123409231 174188140 /nfs/dbraw/zinc/18/81/40/174188140.db2.gz KYCKCKXNLXDIOU-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP COCCC[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000361109560 174233800 /nfs/dbraw/zinc/23/38/00/174233800.db2.gz TZBJWMQAPYHAAA-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000361109560 174233802 /nfs/dbraw/zinc/23/38/02/174233802.db2.gz TZBJWMQAPYHAAA-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000361109560 174233804 /nfs/dbraw/zinc/23/38/04/174233804.db2.gz TZBJWMQAPYHAAA-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000361109560 174233806 /nfs/dbraw/zinc/23/38/06/174233806.db2.gz TZBJWMQAPYHAAA-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000361109560 174233808 /nfs/dbraw/zinc/23/38/08/174233808.db2.gz TZBJWMQAPYHAAA-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036908255 174250634 /nfs/dbraw/zinc/25/06/34/174250634.db2.gz RUCONMVFPSLODG-IJLUTSLNSA-N 2 1 214.353 1.341 20 0 BDADMP COCC[N@@H+](C)CCCNc1cc(C)cc[nH+]1 ZINC000189429543 174276251 /nfs/dbraw/zinc/27/62/51/174276251.db2.gz UWVATCWZBMAODR-UHFFFAOYSA-N 2 1 237.347 1.770 20 0 BDADMP COCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123095411 174282516 /nfs/dbraw/zinc/28/25/16/174282516.db2.gz UFQWBGWFGHEPGW-GHMZBOCLSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123095411 174282517 /nfs/dbraw/zinc/28/25/17/174282517.db2.gz UFQWBGWFGHEPGW-GHMZBOCLSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123095411 174282518 /nfs/dbraw/zinc/28/25/18/174282518.db2.gz UFQWBGWFGHEPGW-GHMZBOCLSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000237107254 174305783 /nfs/dbraw/zinc/30/57/83/174305783.db2.gz KPBUWIFLOPEZBB-UHFFFAOYSA-N 2 1 237.347 1.215 20 0 BDADMP COc1cccc(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000036301392 175253711 /nfs/dbraw/zinc/25/37/11/175253711.db2.gz GQKHNRQGJPWWFQ-UHFFFAOYSA-N 2 1 234.343 1.879 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000011891306 175327194 /nfs/dbraw/zinc/32/71/94/175327194.db2.gz WGNHHGPTAAQICU-NSHDSACASA-N 2 1 220.316 1.476 20 0 BDADMP CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000082456061 487631759 /nfs/dbraw/zinc/63/17/59/487631759.db2.gz NEAOAYAVKZDXIJ-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336666551 176132007 /nfs/dbraw/zinc/13/20/07/176132007.db2.gz PVECANOFXZASRW-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336666551 176132008 /nfs/dbraw/zinc/13/20/08/176132008.db2.gz PVECANOFXZASRW-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358174161 176139963 /nfs/dbraw/zinc/13/99/63/176139963.db2.gz XNPZUJGOTBEZKV-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358174161 176139965 /nfs/dbraw/zinc/13/99/65/176139965.db2.gz XNPZUJGOTBEZKV-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1O ZINC000305759221 176170665 /nfs/dbraw/zinc/17/06/65/176170665.db2.gz HXJOSSJQEBXCHT-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC000305759221 176170666 /nfs/dbraw/zinc/17/06/66/176170666.db2.gz HXJOSSJQEBXCHT-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC000305759221 176170667 /nfs/dbraw/zinc/17/06/67/176170667.db2.gz HXJOSSJQEBXCHT-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000128250800 176227260 /nfs/dbraw/zinc/22/72/60/176227260.db2.gz SDARTLFPCGKWOM-BXUZGUMPSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1F ZINC000340521004 176268548 /nfs/dbraw/zinc/26/85/48/176268548.db2.gz ARVHBDMTCHVDJX-RHYQMDGZSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1F ZINC000340521004 176268549 /nfs/dbraw/zinc/26/85/49/176268549.db2.gz ARVHBDMTCHVDJX-RHYQMDGZSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000336764577 176269393 /nfs/dbraw/zinc/26/93/93/176269393.db2.gz QGURPXQHXTYCLJ-VWYCJHECSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000336764577 176269395 /nfs/dbraw/zinc/26/93/95/176269395.db2.gz QGURPXQHXTYCLJ-VWYCJHECSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309750362 176269551 /nfs/dbraw/zinc/26/95/51/176269551.db2.gz GODXGLXDGAZTDP-NXEZZACHSA-N 2 1 232.318 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000357839229 176269928 /nfs/dbraw/zinc/26/99/28/176269928.db2.gz HUKKCHGERCXPMP-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000361969905 176269968 /nfs/dbraw/zinc/26/99/68/176269968.db2.gz DNCXQFAJILYODV-WXHSDQCUSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000361969905 176269970 /nfs/dbraw/zinc/26/99/70/176269970.db2.gz DNCXQFAJILYODV-WXHSDQCUSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000336781326 176271532 /nfs/dbraw/zinc/27/15/32/176271532.db2.gz UJKXKOLGFDOWOF-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000359945963 176273907 /nfs/dbraw/zinc/27/39/07/176273907.db2.gz YVWUUPNZZJMQQN-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000359945963 176273909 /nfs/dbraw/zinc/27/39/09/176273909.db2.gz YVWUUPNZZJMQQN-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359945963 176273910 /nfs/dbraw/zinc/27/39/10/176273910.db2.gz YVWUUPNZZJMQQN-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359945963 176273912 /nfs/dbraw/zinc/27/39/12/176273912.db2.gz YVWUUPNZZJMQQN-MQYQWHSLSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCC1 ZINC000336783270 176279240 /nfs/dbraw/zinc/27/92/40/176279240.db2.gz ZYHNOMRDLOTUFT-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367712371 176280108 /nfs/dbraw/zinc/28/01/08/176280108.db2.gz JKDKGLTVUUNYKY-UCKQBZRPSA-N 2 1 238.375 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000336701909 176280343 /nfs/dbraw/zinc/28/03/43/176280343.db2.gz JZKNVSOCQZQXLF-HBJVGIJOSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000061919024 176287687 /nfs/dbraw/zinc/28/76/87/176287687.db2.gz REPRWEKBLNQSPZ-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251661605 176294041 /nfs/dbraw/zinc/29/40/41/176294041.db2.gz GWYJDDLMWLDDIN-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1CO ZINC000362069876 176294596 /nfs/dbraw/zinc/29/45/96/176294596.db2.gz FXHFKHAZYMAUKK-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1CO ZINC000362069876 176294598 /nfs/dbraw/zinc/29/45/98/176294598.db2.gz FXHFKHAZYMAUKK-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H]1CO ZINC000362069876 176294600 /nfs/dbraw/zinc/29/46/00/176294600.db2.gz FXHFKHAZYMAUKK-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@@H]1[NH3+] ZINC000224624184 176296896 /nfs/dbraw/zinc/29/68/96/176296896.db2.gz MQXPNUCEMJRQNO-UTLUCORTSA-N 2 1 200.351 1.019 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000251619761 176304727 /nfs/dbraw/zinc/30/47/27/176304727.db2.gz DWOCUSGNTOAVIR-BXUZGUMPSA-N 2 1 246.354 1.791 20 0 BDADMP C[C@@H]1COCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336453311 176333400 /nfs/dbraw/zinc/33/34/00/176333400.db2.gz JMMOBBXRSYFFOS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1COCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336453311 176333401 /nfs/dbraw/zinc/33/34/01/176333401.db2.gz JMMOBBXRSYFFOS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1COCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336453311 176333402 /nfs/dbraw/zinc/33/34/02/176333402.db2.gz JMMOBBXRSYFFOS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cccnc2)CC[NH2+]1 ZINC000235379864 176367942 /nfs/dbraw/zinc/36/79/42/176367942.db2.gz ZRBXBSPSLCKLNR-OLZOCXBDSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC(F)(F)C2)CC[NH2+]1 ZINC000313334029 176368561 /nfs/dbraw/zinc/36/85/61/176368561.db2.gz DEYQQXHNWRKXET-ZJUUUORDSA-N 2 1 218.291 1.716 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC(F)(F)C2)CC[NH2+]1 ZINC000313334029 176368563 /nfs/dbraw/zinc/36/85/63/176368563.db2.gz DEYQQXHNWRKXET-ZJUUUORDSA-N 2 1 218.291 1.716 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccn1 ZINC000049712255 176370761 /nfs/dbraw/zinc/37/07/61/176370761.db2.gz BCNGGRGYAGFJOO-MNOVXSKESA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccn1 ZINC000049712255 176370762 /nfs/dbraw/zinc/37/07/62/176370762.db2.gz BCNGGRGYAGFJOO-MNOVXSKESA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H](O)[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336679958 177013786 /nfs/dbraw/zinc/01/37/86/177013786.db2.gz CHYPEJYCABLDJB-MELADBBJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336679958 177013788 /nfs/dbraw/zinc/01/37/88/177013788.db2.gz CHYPEJYCABLDJB-MELADBBJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336679958 177013789 /nfs/dbraw/zinc/01/37/89/177013789.db2.gz CHYPEJYCABLDJB-MELADBBJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCOC1 ZINC000070963732 177075288 /nfs/dbraw/zinc/07/52/88/177075288.db2.gz ZWLAAUDIYCDONZ-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000042610970 177087119 /nfs/dbraw/zinc/08/71/19/177087119.db2.gz POBIOXPYGQSZDP-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN1CC[NH2+]CC1 ZINC000037482553 177117398 /nfs/dbraw/zinc/11/73/98/177117398.db2.gz VNNOEILARNRWPI-BETUJISGSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000020071750 177247628 /nfs/dbraw/zinc/24/76/28/177247628.db2.gz IVZFQBOMOAPJIM-TXEJJXNPSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124275683 177246373 /nfs/dbraw/zinc/24/63/73/177246373.db2.gz NVEKYAWKJLHEMG-JSGCOSHPSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000123479242 177258607 /nfs/dbraw/zinc/25/86/07/177258607.db2.gz MZPWLMOHSKYRQO-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C1 ZINC000336684922 177258992 /nfs/dbraw/zinc/25/89/92/177258992.db2.gz FPJZHECYJJZMNU-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C1 ZINC000336684922 177258993 /nfs/dbraw/zinc/25/89/93/177258993.db2.gz FPJZHECYJJZMNU-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C1 ZINC000336684922 177258995 /nfs/dbraw/zinc/25/89/95/177258995.db2.gz FPJZHECYJJZMNU-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1 ZINC000336684922 177258996 /nfs/dbraw/zinc/25/89/96/177258996.db2.gz FPJZHECYJJZMNU-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000335603235 177295737 /nfs/dbraw/zinc/29/57/37/177295737.db2.gz YFSMIQMZPIOKNR-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000302164282 177296300 /nfs/dbraw/zinc/29/63/00/177296300.db2.gz MNEMTNJGHWPBJM-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H](N(C)Cc2ccncc2)CC[N@H+]1C ZINC000177059570 177326642 /nfs/dbraw/zinc/32/66/42/177326642.db2.gz BDUPTCVCHYHBDH-JSGCOSHPSA-N 2 1 233.359 1.996 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(O)CC1 ZINC000036907812 177331155 /nfs/dbraw/zinc/33/11/55/177331155.db2.gz UWRPUIFLBSUQPP-XPXVYLNCSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[N@H+]1C ZINC000309660043 177331548 /nfs/dbraw/zinc/33/15/48/177331548.db2.gz ASCXPOCDAAOIFU-AAEUAGOBSA-N 2 1 224.348 1.405 20 0 BDADMP C[C@H]1C[C@@H](NCC[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000128514743 177332668 /nfs/dbraw/zinc/33/26/68/177332668.db2.gz VYILAFMUQYUVPW-QWHCGFSZSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@H]1C[C@@H](NCC[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000128514743 177332669 /nfs/dbraw/zinc/33/26/69/177332669.db2.gz VYILAFMUQYUVPW-QWHCGFSZSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000353143930 177333709 /nfs/dbraw/zinc/33/37/09/177333709.db2.gz BHWAHSKOCOOBJP-AAEUAGOBSA-N 2 1 249.358 1.805 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336781093 177334400 /nfs/dbraw/zinc/33/44/00/177334400.db2.gz TXZZPWSEVLZXQR-VOAKCMCISA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336781093 177334402 /nfs/dbraw/zinc/33/44/02/177334402.db2.gz TXZZPWSEVLZXQR-VOAKCMCISA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336781093 177334404 /nfs/dbraw/zinc/33/44/04/177334404.db2.gz TXZZPWSEVLZXQR-VOAKCMCISA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccncc1 ZINC000126713700 177361128 /nfs/dbraw/zinc/36/11/28/177361128.db2.gz AWEFBCCWZRHCNQ-CMPLNLGQSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)O ZINC000083461205 177369492 /nfs/dbraw/zinc/36/94/92/177369492.db2.gz BJXZTTMCGWJRHH-VWYCJHECSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H]1C[C@H](NCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000309960589 177369552 /nfs/dbraw/zinc/36/95/52/177369552.db2.gz YEJDTUDZWWPDOO-ZFWWWQNUSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000229596452 177395330 /nfs/dbraw/zinc/39/53/30/177395330.db2.gz UBFKHFTWBVBXLD-ZJUUUORDSA-N 2 1 235.335 1.095 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1nccs1 ZINC000400325743 226340372 /nfs/dbraw/zinc/34/03/72/226340372.db2.gz DJSBVVVSPLCRML-OUAUKWLOSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1nccs1 ZINC000400325739 226340592 /nfs/dbraw/zinc/34/05/92/226340592.db2.gz DJSBVVVSPLCRML-GMTAPVOTSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000400362184 226341852 /nfs/dbraw/zinc/34/18/52/226341852.db2.gz CKWBIUWQIOMPDW-RFQIPJPRSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400630248 226347925 /nfs/dbraw/zinc/34/79/25/226347925.db2.gz LPJGQHVBZBFONR-WOPDTQHZSA-N 2 1 222.336 1.002 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000401641077 226360503 /nfs/dbraw/zinc/36/05/03/226360503.db2.gz HTURJYOATGBMDW-JHJVBQTASA-N 2 1 249.358 1.366 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226032719 487653752 /nfs/dbraw/zinc/65/37/52/487653752.db2.gz UKGVPPQRLZFALZ-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP CCOCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397307857 262744179 /nfs/dbraw/zinc/74/41/79/262744179.db2.gz HTLFHJKDZMOTFV-WOPDTQHZSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678074845 487684611 /nfs/dbraw/zinc/68/46/11/487684611.db2.gz SPSDBUADYDFKFP-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000384025325 487687268 /nfs/dbraw/zinc/68/72/68/487687268.db2.gz QNIPEBVAFFZVOG-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000384025325 487687273 /nfs/dbraw/zinc/68/72/73/487687273.db2.gz QNIPEBVAFFZVOG-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000384025325 487687279 /nfs/dbraw/zinc/68/72/79/487687279.db2.gz QNIPEBVAFFZVOG-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000151184929 487689821 /nfs/dbraw/zinc/68/98/21/487689821.db2.gz SFIOXRLCQXVQNE-XQQFMLRXSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000151184929 487689825 /nfs/dbraw/zinc/68/98/25/487689825.db2.gz SFIOXRLCQXVQNE-XQQFMLRXSA-N 2 1 228.380 1.466 20 0 BDADMP Cc1cncc(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000228621664 487695723 /nfs/dbraw/zinc/69/57/23/487695723.db2.gz FSNWMGBSNPKTJD-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Cc1cncc(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000228621664 487695731 /nfs/dbraw/zinc/69/57/31/487695731.db2.gz FSNWMGBSNPKTJD-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001172584985 974891117 /nfs/dbraw/zinc/89/11/17/974891117.db2.gz DCHRDWMIUZPGFA-VHSXEESVSA-N 2 1 228.336 1.045 20 0 BDADMP Cc1ccc2c(c1)C[N@H+](CCC[NH3+])CC2 ZINC000082790870 487734283 /nfs/dbraw/zinc/73/42/83/487734283.db2.gz JPIZRVFDFDXWMH-UHFFFAOYSA-N 2 1 204.317 1.702 20 0 BDADMP CC[N@H+](CCC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000379462125 487734383 /nfs/dbraw/zinc/73/43/83/487734383.db2.gz UFGILJGLDBETON-VIFPVBQESA-N 2 1 224.270 1.870 20 0 BDADMP CC[N@@H+](CCC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000379462125 487734389 /nfs/dbraw/zinc/73/43/89/487734389.db2.gz UFGILJGLDBETON-VIFPVBQESA-N 2 1 224.270 1.870 20 0 BDADMP CC(C)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250594777 487735126 /nfs/dbraw/zinc/73/51/26/487735126.db2.gz NFBARPZRUBDJLY-WDEREUQCSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250594777 487735130 /nfs/dbraw/zinc/73/51/30/487735130.db2.gz NFBARPZRUBDJLY-WDEREUQCSA-N 2 1 200.326 1.081 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)C1CC1 ZINC000675510001 487743485 /nfs/dbraw/zinc/74/34/85/487743485.db2.gz LGVWLPJDEHBXCC-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459520061 487771867 /nfs/dbraw/zinc/77/18/67/487771867.db2.gz SRSVRFKIMJGDNO-CHWSQXEVSA-N 2 1 237.347 1.510 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CCF)C[C@H]1C ZINC000759342290 585368901 /nfs/dbraw/zinc/36/89/01/585368901.db2.gz GUVJSPAATOGQIX-GHMZBOCLSA-N 2 1 202.317 1.761 20 0 BDADMP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000668458694 487782672 /nfs/dbraw/zinc/78/26/72/487782672.db2.gz HKJBVBYQUSHCKU-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000668458694 487782675 /nfs/dbraw/zinc/78/26/75/487782675.db2.gz HKJBVBYQUSHCKU-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOC2)C1 ZINC000459742404 487793069 /nfs/dbraw/zinc/79/30/69/487793069.db2.gz WDJVTHZIOPJMHZ-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000414709014 487818853 /nfs/dbraw/zinc/81/88/53/487818853.db2.gz OKPLVPBWFGQAKQ-NEPJUHHUSA-N 2 1 222.336 1.115 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000414711133 487819249 /nfs/dbraw/zinc/81/92/49/487819249.db2.gz MAPFHOGOAIQGNC-ZDUSSCGKSA-N 2 1 234.343 1.736 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000414731838 487819993 /nfs/dbraw/zinc/81/99/93/487819993.db2.gz BCABIIKEPIVRGQ-QMMMGPOBSA-N 2 1 210.243 1.610 20 0 BDADMP COCC[N@@H+](CCC[NH3+])[C@H]1CC[C@@H](C)C1 ZINC000414752508 487821108 /nfs/dbraw/zinc/82/11/08/487821108.db2.gz KXMDRLQLZPTDEV-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252776618 487832602 /nfs/dbraw/zinc/83/26/02/487832602.db2.gz OIHZNXRVTPBZEE-ZYHUDNBSSA-N 2 1 236.363 1.294 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252776618 487832611 /nfs/dbraw/zinc/83/26/11/487832611.db2.gz OIHZNXRVTPBZEE-ZYHUDNBSSA-N 2 1 236.363 1.294 20 0 BDADMP CCc1noc(CC)c1C[NH2+]CCC[NH3+] ZINC000415075720 487836265 /nfs/dbraw/zinc/83/62/65/487836265.db2.gz BZQMCAQHKYMKLN-UHFFFAOYSA-N 2 1 211.309 1.238 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852741586 588698378 /nfs/dbraw/zinc/69/83/78/588698378.db2.gz WDYDVPWJNBUOQD-IUCAKERBSA-N 2 1 222.279 1.285 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000309912010 487847451 /nfs/dbraw/zinc/84/74/51/487847451.db2.gz SEDOYZFCQPYMML-UKRRQHHQSA-N 2 1 248.370 1.872 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000234669493 487850439 /nfs/dbraw/zinc/85/04/39/487850439.db2.gz OAGRMNYCUIQDQG-QWRGUYRKSA-N 2 1 200.326 1.001 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C(C)C ZINC000234748686 487871211 /nfs/dbraw/zinc/87/12/11/487871211.db2.gz ZKSCNSIKJWCAOZ-RYUDHWBXSA-N 2 1 214.353 1.389 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CC1 ZINC000666746339 487870966 /nfs/dbraw/zinc/87/09/66/487870966.db2.gz QZAHTFYXJYIJBC-OCCSQVGLSA-N 2 1 246.354 1.880 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(C[C@H]3C[NH2+]CCO3)c2C[C@H]1C ZINC000386603932 487875007 /nfs/dbraw/zinc/87/50/07/487875007.db2.gz IPESMHNCIOCMSS-IJLUTSLNSA-N 2 1 249.358 1.242 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769851 487875742 /nfs/dbraw/zinc/87/57/42/487875742.db2.gz FZNVVLUHNQAEPH-TZMCWYRMSA-N 2 1 240.391 1.923 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](CC)CO1 ZINC000403806394 487891588 /nfs/dbraw/zinc/89/15/88/487891588.db2.gz LPHYOLWQBDUJBV-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCOC)CC[C@@H]1[NH3+] ZINC000164774529 487894874 /nfs/dbraw/zinc/89/48/74/487894874.db2.gz VWBGBWSKSPZLEW-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666873276 487895255 /nfs/dbraw/zinc/89/52/55/487895255.db2.gz WAGZLFFXTRVXIQ-CMPLNLGQSA-N 2 1 236.363 1.213 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000404296084 487917357 /nfs/dbraw/zinc/91/73/57/487917357.db2.gz DAKVIQLEJWDDIF-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP FC1(F)C[C@@]12CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000652364256 487933365 /nfs/dbraw/zinc/93/33/65/487933365.db2.gz BMYWDYSCIZAHLC-VHSXEESVSA-N 2 1 216.275 1.327 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404977941 487938879 /nfs/dbraw/zinc/93/88/79/487938879.db2.gz BSLRZFBBDWKIFJ-NWDGAFQWSA-N 2 1 218.344 1.995 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000049538947 487948602 /nfs/dbraw/zinc/94/86/02/487948602.db2.gz GAJCBOMJYYGEBT-UHFFFAOYSA-N 2 1 233.340 1.892 20 0 BDADMP COc1ccncc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000564471717 322970809 /nfs/dbraw/zinc/97/08/09/322970809.db2.gz ZIYRQHGMQRAMQM-RYUDHWBXSA-N 2 1 235.331 1.450 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CO)CC1 ZINC000039794749 322974380 /nfs/dbraw/zinc/97/43/80/322974380.db2.gz FEOZECIXQDQOLW-LBPRGKRZSA-N 2 1 214.353 1.064 20 0 BDADMP Cc1cnccc1CCN1CCc2nn[nH]c2C1 ZINC000569923846 323044764 /nfs/dbraw/zinc/04/47/64/323044764.db2.gz PYADTERIACMCAS-UHFFFAOYSA-N 2 1 243.314 1.109 20 0 BDADMP C[NH2+]CCSCC[C@H]1CCC[N@H+]1C ZINC000570276958 323054680 /nfs/dbraw/zinc/05/46/80/323054680.db2.gz QWEFLFZAPHFWIW-SNVBAGLBSA-N 2 1 202.367 1.423 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)o1 ZINC000570709385 323068101 /nfs/dbraw/zinc/06/81/01/323068101.db2.gz RCMPWIQWMFFINJ-ZWNOBZJWSA-N 2 1 222.332 1.718 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1c[nH]nc1C(C)(C)C ZINC000563130135 323094321 /nfs/dbraw/zinc/09/43/21/323094321.db2.gz SPQQAPZTIZIBOV-UHFFFAOYSA-N 2 1 224.352 1.488 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1c[nH]nc1C(C)(C)C ZINC000563130135 323094322 /nfs/dbraw/zinc/09/43/22/323094322.db2.gz SPQQAPZTIZIBOV-UHFFFAOYSA-N 2 1 224.352 1.488 20 0 BDADMP Cn1cc(C[C@H]2CC[N@@H+](CC(C)(C)[NH3+])C2)cn1 ZINC000563137705 323094739 /nfs/dbraw/zinc/09/47/39/323094739.db2.gz JGTAOEAJDGXJQL-LLVKDONJSA-N 2 1 236.363 1.022 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](COC)c1ccccc1 ZINC000563616480 323131591 /nfs/dbraw/zinc/13/15/91/323131591.db2.gz UJCLALHDDRIYBR-AWEZNQCLSA-N 2 1 236.359 1.963 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249499551 323139203 /nfs/dbraw/zinc/13/92/03/323139203.db2.gz HIODOOAIRIBOFF-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249499551 323139204 /nfs/dbraw/zinc/13/92/04/323139204.db2.gz HIODOOAIRIBOFF-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249499551 323139205 /nfs/dbraw/zinc/13/92/05/323139205.db2.gz HIODOOAIRIBOFF-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP COC(=O)CCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397263377 323152492 /nfs/dbraw/zinc/15/24/92/323152492.db2.gz IECPHKZERVVSHC-UTUOFQBUSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000229854731 323153011 /nfs/dbraw/zinc/15/30/11/323153011.db2.gz VXDYQOGBMBFZCG-QJPTWQEYSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000229854731 323153007 /nfs/dbraw/zinc/15/30/07/323153007.db2.gz VXDYQOGBMBFZCG-QJPTWQEYSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000229854731 323153008 /nfs/dbraw/zinc/15/30/08/323153008.db2.gz VXDYQOGBMBFZCG-QJPTWQEYSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000229854731 323153009 /nfs/dbraw/zinc/15/30/09/323153009.db2.gz VXDYQOGBMBFZCG-QJPTWQEYSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000229854731 323153010 /nfs/dbraw/zinc/15/30/10/323153010.db2.gz VXDYQOGBMBFZCG-QJPTWQEYSA-N 2 1 214.353 1.172 20 0 BDADMP COC(C)(C)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000535668820 323188129 /nfs/dbraw/zinc/18/81/29/323188129.db2.gz HPCVMQKFLGJZBR-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP COC(C)(C)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000535668820 323188130 /nfs/dbraw/zinc/18/81/30/323188130.db2.gz HPCVMQKFLGJZBR-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)CO ZINC000572494230 324131111 /nfs/dbraw/zinc/13/11/11/324131111.db2.gz OEYHXOYXMVXWDF-NSHDSACASA-N 2 1 225.336 1.055 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)CO ZINC000572494230 324131112 /nfs/dbraw/zinc/13/11/12/324131112.db2.gz OEYHXOYXMVXWDF-NSHDSACASA-N 2 1 225.336 1.055 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000653543508 487962593 /nfs/dbraw/zinc/96/25/93/487962593.db2.gz QHUIDPHJTGHJEI-OLZOCXBDSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000653543508 487962597 /nfs/dbraw/zinc/96/25/97/487962597.db2.gz QHUIDPHJTGHJEI-OLZOCXBDSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000653543508 487962601 /nfs/dbraw/zinc/96/26/01/487962601.db2.gz QHUIDPHJTGHJEI-OLZOCXBDSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000653543508 487962602 /nfs/dbraw/zinc/96/26/02/487962602.db2.gz QHUIDPHJTGHJEI-OLZOCXBDSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1c[nH+]ccc1N ZINC000530208598 324524305 /nfs/dbraw/zinc/52/43/05/324524305.db2.gz FPESEPYPSMZMMB-NEPJUHHUSA-N 2 1 249.358 1.961 20 0 BDADMP COC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000530245397 324556632 /nfs/dbraw/zinc/55/66/32/324556632.db2.gz XIAQGJXSOFLZSI-LBPRGKRZSA-N 2 1 238.375 1.820 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCCO)C1 ZINC000076001868 325325205 /nfs/dbraw/zinc/32/52/05/325325205.db2.gz DALDWTXIWOPNBS-AWEZNQCLSA-N 2 1 242.407 1.813 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000565843944 325964263 /nfs/dbraw/zinc/96/42/63/325964263.db2.gz TZPIVYCAELFNLP-ZJUUUORDSA-N 2 1 223.320 1.597 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC([NH3+])C1 ZINC000566351022 326036253 /nfs/dbraw/zinc/03/62/53/326036253.db2.gz GXTMSWOUDULPDQ-UHFFFAOYSA-N 3 1 245.370 1.254 20 0 BDADMP CN(Cc1ccc2c(c1)C[NH2+]CC2)C1CC([NH3+])C1 ZINC000566351022 326036254 /nfs/dbraw/zinc/03/62/54/326036254.db2.gz GXTMSWOUDULPDQ-UHFFFAOYSA-N 2 1 245.370 1.254 20 0 BDADMP COCC1(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000567167367 326127870 /nfs/dbraw/zinc/12/78/70/326127870.db2.gz QGRVOCSMQFVHIN-NEPJUHHUSA-N 2 1 226.364 1.391 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000567172548 326128922 /nfs/dbraw/zinc/12/89/22/326128922.db2.gz RZCIPNFPEZCLCR-AWEZNQCLSA-N 2 1 236.359 1.397 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000567172548 326128926 /nfs/dbraw/zinc/12/89/26/326128926.db2.gz RZCIPNFPEZCLCR-AWEZNQCLSA-N 2 1 236.359 1.397 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000567654267 326239433 /nfs/dbraw/zinc/23/94/33/326239433.db2.gz KIMJIOJPESNIMG-STQMWFEESA-N 2 1 223.364 1.156 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCOC1 ZINC000567747897 326254676 /nfs/dbraw/zinc/25/46/76/326254676.db2.gz CYCHZDQWWWQSMV-LBPRGKRZSA-N 2 1 223.320 1.073 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCOC1 ZINC000567747897 326254678 /nfs/dbraw/zinc/25/46/78/326254678.db2.gz CYCHZDQWWWQSMV-LBPRGKRZSA-N 2 1 223.320 1.073 20 0 BDADMP Cn1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000158468435 326323526 /nfs/dbraw/zinc/32/35/26/326323526.db2.gz IPGZYRUQJSJYLS-UHFFFAOYSA-N 2 1 247.386 1.989 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659924792 488002041 /nfs/dbraw/zinc/00/20/41/488002041.db2.gz GOUXQGUCZGWAEN-YIYPIFLZSA-N 2 1 222.376 1.916 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121084206 490074284 /nfs/dbraw/zinc/07/42/84/490074284.db2.gz YPUQHCICHQSSRA-OLZOCXBDSA-N 2 1 228.380 1.279 20 0 BDADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000682717719 488025481 /nfs/dbraw/zinc/02/54/81/488025481.db2.gz YNKOETKRZPBNII-MJBXVCDLSA-N 2 1 238.375 1.079 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H](C[NH+](C)C)C2)n1C ZINC000667628337 488063626 /nfs/dbraw/zinc/06/36/26/488063626.db2.gz BIYSRJCMSFYCDW-LBPRGKRZSA-N 2 1 236.363 1.112 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121084361 490074712 /nfs/dbraw/zinc/07/47/12/490074712.db2.gz YPUQHCICHQSSRA-CHWSQXEVSA-N 2 1 228.380 1.279 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000677603301 488083869 /nfs/dbraw/zinc/08/38/69/488083869.db2.gz YMVWZCYQOGVULW-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000677603301 488083874 /nfs/dbraw/zinc/08/38/74/488083874.db2.gz YMVWZCYQOGVULW-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000677603301 488083880 /nfs/dbraw/zinc/08/38/80/488083880.db2.gz YMVWZCYQOGVULW-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000389253513 488085337 /nfs/dbraw/zinc/08/53/37/488085337.db2.gz NEFRJFHHLQVUGP-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257757623 488087957 /nfs/dbraw/zinc/08/79/57/488087957.db2.gz WXVWDTVNQPVZMP-OCCSQVGLSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257757623 488087963 /nfs/dbraw/zinc/08/79/63/488087963.db2.gz WXVWDTVNQPVZMP-OCCSQVGLSA-N 2 1 231.343 1.828 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000389467087 488097818 /nfs/dbraw/zinc/09/78/18/488097818.db2.gz UBSRJWWTUICBRL-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000389467087 488097827 /nfs/dbraw/zinc/09/78/27/488097827.db2.gz UBSRJWWTUICBRL-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000168875107 487549221 /nfs/dbraw/zinc/54/92/21/487549221.db2.gz OIHZNXRVTPBZEE-JQWIXIFHSA-N 2 1 236.363 1.294 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000168875107 487549225 /nfs/dbraw/zinc/54/92/25/487549225.db2.gz OIHZNXRVTPBZEE-JQWIXIFHSA-N 2 1 236.363 1.294 20 0 BDADMP FC1(F)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000258834026 488138469 /nfs/dbraw/zinc/13/84/69/488138469.db2.gz JLXCONSHAQRCEN-UHFFFAOYSA-N 2 1 218.291 1.717 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000381031930 487493086 /nfs/dbraw/zinc/49/30/86/487493086.db2.gz DMAPIFOYUSIELJ-WCQYABFASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000381031930 487493088 /nfs/dbraw/zinc/49/30/88/487493088.db2.gz DMAPIFOYUSIELJ-WCQYABFASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000381031930 487493091 /nfs/dbraw/zinc/49/30/91/487493091.db2.gz DMAPIFOYUSIELJ-WCQYABFASA-N 2 1 228.380 1.418 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000381263024 487502087 /nfs/dbraw/zinc/50/20/87/487502087.db2.gz SNEJTKOHDDLKBO-AAEUAGOBSA-N 2 1 208.349 1.847 20 0 BDADMP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCC[NH2+]CC1 ZINC000161788736 487519595 /nfs/dbraw/zinc/51/95/95/487519595.db2.gz VLPXINSQQWTUIL-ZDUSSCGKSA-N 2 1 246.354 1.848 20 0 BDADMP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CCC[NH2+]CC1 ZINC000161788736 487519599 /nfs/dbraw/zinc/51/95/99/487519599.db2.gz VLPXINSQQWTUIL-ZDUSSCGKSA-N 2 1 246.354 1.848 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000379855764 488155049 /nfs/dbraw/zinc/15/50/49/488155049.db2.gz BZDFGLUQKGDQFI-NWDGAFQWSA-N 2 1 216.369 1.418 20 0 BDADMP CC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000379855764 488155052 /nfs/dbraw/zinc/15/50/52/488155052.db2.gz BZDFGLUQKGDQFI-NWDGAFQWSA-N 2 1 216.369 1.418 20 0 BDADMP CC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000379855764 488155060 /nfs/dbraw/zinc/15/50/60/488155060.db2.gz BZDFGLUQKGDQFI-NWDGAFQWSA-N 2 1 216.369 1.418 20 0 BDADMP C[N@H+](C[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCOC1 ZINC000685577779 487557392 /nfs/dbraw/zinc/55/73/92/487557392.db2.gz HOFSCVSQVUCDKG-STQMWFEESA-N 2 1 249.358 1.556 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCOC)CC[C@@H]1[NH3+] ZINC000164774424 487894811 /nfs/dbraw/zinc/89/48/11/487894811.db2.gz VWBGBWSKSPZLEW-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP c1ccc2c(c1)CC(C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000685838990 488120084 /nfs/dbraw/zinc/12/00/84/488120084.db2.gz ASISRXREQPOWSB-IYBDPMFKSA-N 2 1 242.366 1.553 20 0 BDADMP FC1(F)CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000258834026 488138465 /nfs/dbraw/zinc/13/84/65/488138465.db2.gz JLXCONSHAQRCEN-UHFFFAOYSA-N 2 1 218.291 1.717 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC[C@H]1CCC[NH+]1C ZINC000662179095 488143948 /nfs/dbraw/zinc/14/39/48/488143948.db2.gz HHZGKUZIVSJRRZ-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+](C)CC(C)(C)NC[C@H]1CCC[N@@H+]1C ZINC000662179095 488143954 /nfs/dbraw/zinc/14/39/54/488143954.db2.gz HHZGKUZIVSJRRZ-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+](C)CC(C)(C)NC[C@H]1CCC[N@H+]1C ZINC000662179095 488143958 /nfs/dbraw/zinc/14/39/58/488143958.db2.gz HHZGKUZIVSJRRZ-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1ccnn1C ZINC000230745519 488150267 /nfs/dbraw/zinc/15/02/67/488150267.db2.gz SPAWECSDJGCLLO-WCQYABFASA-N 2 1 236.363 1.164 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1ccnn1C ZINC000230745519 488150269 /nfs/dbraw/zinc/15/02/69/488150269.db2.gz SPAWECSDJGCLLO-WCQYABFASA-N 2 1 236.363 1.164 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657859296 488152615 /nfs/dbraw/zinc/15/26/15/488152615.db2.gz RYOCUQNBYTZTMP-VXGBXAGGSA-N 2 1 236.363 1.648 20 0 BDADMP CCC[N@H+]1CC[C@H](NC2CC[NH+](C)CC2)C1 ZINC000328160806 488166578 /nfs/dbraw/zinc/16/65/78/488166578.db2.gz HJWQEVAGGXCNMH-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](O)C1CC1 ZINC000678078391 488192723 /nfs/dbraw/zinc/19/27/23/488192723.db2.gz YFMNHFXIYORCQM-QWHCGFSZSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H](O)C1CC1 ZINC000678078391 488192728 /nfs/dbraw/zinc/19/27/28/488192728.db2.gz YFMNHFXIYORCQM-QWHCGFSZSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H](O)C1CC1 ZINC000678078391 488192732 /nfs/dbraw/zinc/19/27/32/488192732.db2.gz YFMNHFXIYORCQM-QWHCGFSZSA-N 2 1 226.364 1.173 20 0 BDADMP COC[C@]1(C)CC[N@@H+](Cc2cnc(C)n2C)C1 ZINC000668203371 488223710 /nfs/dbraw/zinc/22/37/10/488223710.db2.gz GQLLEDSFFMHOJC-CYBMUJFWSA-N 2 1 237.347 1.587 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CNCCO1 ZINC000399148512 488228125 /nfs/dbraw/zinc/22/81/25/488228125.db2.gz GFFCKFGKZRTEOE-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000678339233 488242859 /nfs/dbraw/zinc/24/28/59/488242859.db2.gz JTKGGIWISASKGD-OLZOCXBDSA-N 2 1 234.347 1.326 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000678339233 488242860 /nfs/dbraw/zinc/24/28/60/488242860.db2.gz JTKGGIWISASKGD-OLZOCXBDSA-N 2 1 234.347 1.326 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000678339233 488242861 /nfs/dbraw/zinc/24/28/61/488242861.db2.gz JTKGGIWISASKGD-OLZOCXBDSA-N 2 1 234.347 1.326 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000678339233 488242863 /nfs/dbraw/zinc/24/28/63/488242863.db2.gz JTKGGIWISASKGD-OLZOCXBDSA-N 2 1 234.347 1.326 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCOC2)CC[N@@H+]1C ZINC000678549704 488266811 /nfs/dbraw/zinc/26/68/11/488266811.db2.gz WKKCDGKJBJAVTB-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCOC2)CC[N@H+]1C ZINC000678549704 488266814 /nfs/dbraw/zinc/26/68/14/488266814.db2.gz WKKCDGKJBJAVTB-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H](N(C)Cc2cn(C)cn2)CC[N@H+]1C ZINC000684837689 488347367 /nfs/dbraw/zinc/34/73/67/488347367.db2.gz VKQBTESUQXKMNJ-YPMHNXCESA-N 2 1 236.363 1.335 20 0 BDADMP COC[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319718 490051454 /nfs/dbraw/zinc/05/14/54/490051454.db2.gz KZEQVZQOVVJRPG-STQMWFEESA-N 2 1 244.379 1.064 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000665283031 490096244 /nfs/dbraw/zinc/09/62/44/490096244.db2.gz GKUOKGAXMNZINA-WDEREUQCSA-N 2 1 224.352 1.444 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401013328 490180948 /nfs/dbraw/zinc/18/09/48/490180948.db2.gz STTRZOQNWYCCHO-SGMGOOAPSA-N 3 1 237.391 1.058 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1(C)COC1 ZINC000070617430 490226830 /nfs/dbraw/zinc/22/68/30/490226830.db2.gz UMGQDBTUIKQQJX-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335516669 490394803 /nfs/dbraw/zinc/39/48/03/490394803.db2.gz RZHINHCZPVQNDU-ABXWRUBCSA-N 3 1 239.407 1.447 20 0 BDADMP C[N@H+](Cc1ccc(O)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000131445986 490639020 /nfs/dbraw/zinc/63/90/20/490639020.db2.gz LWENVPRZQFWQFT-CYBMUJFWSA-N 2 1 234.343 1.776 20 0 BDADMP C[NH+](Cc1ccc(O)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000131445986 490639025 /nfs/dbraw/zinc/63/90/25/490639025.db2.gz LWENVPRZQFWQFT-CYBMUJFWSA-N 2 1 234.343 1.776 20 0 BDADMP C[NH+](Cc1ccc(O)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000131445986 490639029 /nfs/dbraw/zinc/63/90/29/490639029.db2.gz LWENVPRZQFWQFT-CYBMUJFWSA-N 2 1 234.343 1.776 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000400350553 533887607 /nfs/dbraw/zinc/88/76/07/533887607.db2.gz JVWYGNSAJIBQFM-UBHSHLNASA-N 2 1 246.354 1.720 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000488333627 534016972 /nfs/dbraw/zinc/01/69/72/534016972.db2.gz OUBMOWAWBDDWAS-YPMHNXCESA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084384875 535834692 /nfs/dbraw/zinc/83/46/92/535834692.db2.gz FZLHEQWEBGRSAA-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCc1nc(N2CC[C@H](C)[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261591827 536124733 /nfs/dbraw/zinc/12/47/33/536124733.db2.gz YBRSOWLEEOTBCC-JQWIXIFHSA-N 2 1 248.374 1.769 20 0 BDADMP CCc1nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C)[nH+]1 ZINC000261579748 536124810 /nfs/dbraw/zinc/12/48/10/536124810.db2.gz PSKRJQZLANPHHO-NWDGAFQWSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261775988 536137856 /nfs/dbraw/zinc/13/78/56/536137856.db2.gz FBKRDWNHVOSYDJ-KBPBESRZSA-N 3 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261775988 536137862 /nfs/dbraw/zinc/13/78/62/536137862.db2.gz FBKRDWNHVOSYDJ-KBPBESRZSA-N 3 1 239.407 1.402 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000892114656 582795021 /nfs/dbraw/zinc/79/50/21/582795021.db2.gz PXUBCPGLBJKNRM-BETUJISGSA-N 2 1 222.376 1.916 20 0 BDADMP CC(C)CCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400446584 527760796 /nfs/dbraw/zinc/76/07/96/527760796.db2.gz NSRVWVBUZKUVTR-STQMWFEESA-N 2 1 228.380 1.779 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400718408 527814321 /nfs/dbraw/zinc/81/43/21/527814321.db2.gz NSQCTRMRPMOITA-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP CCOCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309545675 528670902 /nfs/dbraw/zinc/67/09/02/528670902.db2.gz ZRVVFHJNMIPYKY-BETUJISGSA-N 2 1 226.364 1.344 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249107072 534958904 /nfs/dbraw/zinc/95/89/04/534958904.db2.gz PTBSYXJZTINQMW-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249107075 534959087 /nfs/dbraw/zinc/95/90/87/534959087.db2.gz PTBSYXJZTINQMW-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000223024797 535004550 /nfs/dbraw/zinc/00/45/50/535004550.db2.gz SWPBKKKDAUYUAN-STQMWFEESA-N 2 1 228.380 1.874 20 0 BDADMP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000163978905 535034031 /nfs/dbraw/zinc/03/40/31/535034031.db2.gz SNBNQAYFWZODRZ-STQMWFEESA-N 2 1 238.375 1.362 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000261991253 535197583 /nfs/dbraw/zinc/19/75/83/535197583.db2.gz SJNPRPZFJJVFEX-LBPRGKRZSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccccc1-n1cccn1 ZINC000261571101 535208947 /nfs/dbraw/zinc/20/89/47/535208947.db2.gz KVLWWSXEAOFGHL-UHFFFAOYSA-N 2 1 244.342 1.699 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCCOC1 ZINC000352188225 535503571 /nfs/dbraw/zinc/50/35/71/535503571.db2.gz XLAIIEVOMJYDFR-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000352188225 535503578 /nfs/dbraw/zinc/50/35/78/535503578.db2.gz XLAIIEVOMJYDFR-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCOC)C1 ZINC000252717090 535526971 /nfs/dbraw/zinc/52/69/71/535526971.db2.gz ZTRSPKDZLUDMAD-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CCOC1CC([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000224371649 535760519 /nfs/dbraw/zinc/76/05/19/535760519.db2.gz RINMCPXHAWAXAH-UHFFFAOYSA-N 2 1 228.380 1.874 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000164147901 535870825 /nfs/dbraw/zinc/87/08/25/535870825.db2.gz CEJJQPSULBUAFI-GHMZBOCLSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000164147901 535870828 /nfs/dbraw/zinc/87/08/28/535870828.db2.gz CEJJQPSULBUAFI-GHMZBOCLSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261570081 535871294 /nfs/dbraw/zinc/87/12/94/535871294.db2.gz GOXJSMWTNMTARL-LBPRGKRZSA-N 2 1 222.336 1.074 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261570081 535871292 /nfs/dbraw/zinc/87/12/92/535871292.db2.gz GOXJSMWTNMTARL-LBPRGKRZSA-N 2 1 222.336 1.074 20 0 BDADMP CC[C@]1(C)CC[N@@H+](CCOCC[NH3+])C1 ZINC000261538600 535908382 /nfs/dbraw/zinc/90/83/82/535908382.db2.gz YRZHODPQAJDUEH-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP CC(C)CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000393791932 582925400 /nfs/dbraw/zinc/92/54/00/582925400.db2.gz ZZPSMZAQNSVCJR-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000393791932 582925401 /nfs/dbraw/zinc/92/54/01/582925401.db2.gz ZZPSMZAQNSVCJR-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000393791932 582925402 /nfs/dbraw/zinc/92/54/02/582925402.db2.gz ZZPSMZAQNSVCJR-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000393791932 582925404 /nfs/dbraw/zinc/92/54/04/582925404.db2.gz ZZPSMZAQNSVCJR-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000226326936 536344134 /nfs/dbraw/zinc/34/41/34/536344134.db2.gz VKCCROOFUYKKBO-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000087234021 536344482 /nfs/dbraw/zinc/34/44/82/536344482.db2.gz YJTOHWRFOVONQB-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000335655288 536345535 /nfs/dbraw/zinc/34/55/35/536345535.db2.gz CIHDUYCDOBNPHD-NSHDSACASA-N 2 1 212.337 1.238 20 0 BDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cocn3)C2)CC1 ZINC000349151818 536346079 /nfs/dbraw/zinc/34/60/79/536346079.db2.gz OPFFQAJTBNYVSX-ZDUSSCGKSA-N 2 1 249.358 1.838 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](O)C1 ZINC000217611701 536357377 /nfs/dbraw/zinc/35/73/77/536357377.db2.gz XTWZNTCZGIEMQK-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000217611701 536357379 /nfs/dbraw/zinc/35/73/79/536357379.db2.gz XTWZNTCZGIEMQK-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](O)C1 ZINC000217611701 536357381 /nfs/dbraw/zinc/35/73/81/536357381.db2.gz XTWZNTCZGIEMQK-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP COC1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCCC1 ZINC000335691842 536631131 /nfs/dbraw/zinc/63/11/31/536631131.db2.gz RXBDMHUIGRKBKH-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCCC1 ZINC000335691842 536631139 /nfs/dbraw/zinc/63/11/39/536631139.db2.gz RXBDMHUIGRKBKH-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000168886611 536691841 /nfs/dbraw/zinc/69/18/41/536691841.db2.gz VCTRMASHTYLBAU-TXEJJXNPSA-N 2 1 247.342 1.050 20 0 BDADMP COCC[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226430076 536768120 /nfs/dbraw/zinc/76/81/20/536768120.db2.gz CNELLXXHFDQRMY-VXGBXAGGSA-N 2 1 216.369 1.717 20 0 BDADMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000261557744 536896894 /nfs/dbraw/zinc/89/68/94/536896894.db2.gz RWYVGEUEZVLNHS-UWVGGRQHSA-N 2 1 238.331 1.529 20 0 BDADMP C[C@@H]1C[N@H+](CCC2SCCS2)C[C@H]1[NH3+] ZINC000853023036 588716398 /nfs/dbraw/zinc/71/63/98/588716398.db2.gz KWKQQTNKKJFYRS-RKDXNWHRSA-N 2 1 232.418 1.462 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2SCCS2)C[C@H]1[NH3+] ZINC000853023036 588716399 /nfs/dbraw/zinc/71/63/99/588716399.db2.gz KWKQQTNKKJFYRS-RKDXNWHRSA-N 2 1 232.418 1.462 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CCC1SCCS1 ZINC000853023160 588716565 /nfs/dbraw/zinc/71/65/65/588716565.db2.gz OQCDCPSEMGKSBU-UHFFFAOYSA-N 2 1 244.429 1.606 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000853023509 588716675 /nfs/dbraw/zinc/71/66/75/588716675.db2.gz ZLVOGPLFGFRQJP-UWVGGRQHSA-N 2 1 246.445 1.852 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC1SCCS1 ZINC000853023048 588716736 /nfs/dbraw/zinc/71/67/36/588716736.db2.gz LHIBVBODBRJIKP-IUCAKERBSA-N 2 1 232.418 1.604 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000853248331 588728760 /nfs/dbraw/zinc/72/87/60/588728760.db2.gz DEYTWJZQQJALOZ-VLEAKVRGSA-N 2 1 246.445 1.564 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCCC1 ZINC000854223148 588780307 /nfs/dbraw/zinc/78/03/07/588780307.db2.gz OFYXYTZYALDLLB-LLVKDONJSA-N 2 1 234.347 1.648 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229193 588780782 /nfs/dbraw/zinc/78/07/82/588780782.db2.gz HWPZYAMKABKDCO-MMWGEVLESA-N 2 1 246.301 1.270 20 0 BDADMP Cc1cc(N)nc(NCC[NH+]2CCCCCC2)[nH+]1 ZINC000891760837 582717140 /nfs/dbraw/zinc/71/71/40/582717140.db2.gz ZSKMTRZEPSQZCS-UHFFFAOYSA-N 2 1 249.362 1.655 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000892000457 582758033 /nfs/dbraw/zinc/75/80/33/582758033.db2.gz QLFCIASMOWPKFV-SECBINFHSA-N 2 1 233.319 1.016 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000892000457 582758035 /nfs/dbraw/zinc/75/80/35/582758035.db2.gz QLFCIASMOWPKFV-SECBINFHSA-N 2 1 233.319 1.016 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C)(O)CC1 ZINC000892517318 582905235 /nfs/dbraw/zinc/90/52/35/582905235.db2.gz HCJGNMWSYKRIJP-IYXRBSQSSA-N 2 1 242.407 2.000 20 0 BDADMP Cc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cnc1F ZINC000892762495 582977488 /nfs/dbraw/zinc/97/74/88/582977488.db2.gz AOSPPAGFPVOVIB-LLVKDONJSA-N 2 1 239.338 1.959 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000857226503 588895815 /nfs/dbraw/zinc/89/58/15/588895815.db2.gz QDDMBJULAAGOHI-UPJWGTAASA-N 2 1 224.348 1.226 20 0 BDADMP Cc1ccnc(N)c1C[N@H+]1CC[C@H](F)C1 ZINC000894873648 583541043 /nfs/dbraw/zinc/54/10/43/583541043.db2.gz JYPZQEHXSUMNJI-VIFPVBQESA-N 2 1 209.268 1.516 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000090320358 583579718 /nfs/dbraw/zinc/57/97/18/583579718.db2.gz ZKCXHTNQIKPOCK-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000090320358 583579720 /nfs/dbraw/zinc/57/97/20/583579720.db2.gz ZKCXHTNQIKPOCK-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP Cc1ccnc(N)c1C[N@@H+]1CCC[C@H](F)C1 ZINC000895151625 583607060 /nfs/dbraw/zinc/60/70/60/583607060.db2.gz VIKZGYKVWVRJMZ-JTQLQIEISA-N 2 1 223.295 1.906 20 0 BDADMP Cc1ccnc(N)c1C[N@H+]1CCC[C@H](F)C1 ZINC000895151625 583607061 /nfs/dbraw/zinc/60/70/61/583607061.db2.gz VIKZGYKVWVRJMZ-JTQLQIEISA-N 2 1 223.295 1.906 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](F)C2)CC1 ZINC000895191638 583621918 /nfs/dbraw/zinc/62/19/18/583621918.db2.gz QOSSLVUZUYBOML-LBPRGKRZSA-N 2 1 214.328 1.762 20 0 BDADMP CSc1ccc(C[N@H+](C)CC2CN(C)C2)o1 ZINC000895261052 583634454 /nfs/dbraw/zinc/63/44/54/583634454.db2.gz VRDAVQWYIWERLS-UHFFFAOYSA-N 2 1 240.372 1.995 20 0 BDADMP Cc1cc(N2CC[C@H](CC[NH+](C)C)C2)nc(C)[nH+]1 ZINC000895331774 583653350 /nfs/dbraw/zinc/65/33/50/583653350.db2.gz XOLBSCXLRIJDPS-ZDUSSCGKSA-N 2 1 248.374 1.871 20 0 BDADMP C[C@@H](O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000895443772 583674454 /nfs/dbraw/zinc/67/44/54/583674454.db2.gz YWTPBTDLEMMIAE-WAAKLRNESA-N 2 1 224.348 1.115 20 0 BDADMP C[C@H]1[C@H](Nc2cc(N(C)C)ncn2)CC[N@H+]1C ZINC000895736013 583717880 /nfs/dbraw/zinc/71/78/80/583717880.db2.gz YWAFZKHSOMQCHK-VHSXEESVSA-N 2 1 235.335 1.047 20 0 BDADMP Cc1nc(C)c(C)c(NC[C@@H]2CCN2C)n1 ZINC000895771983 583725444 /nfs/dbraw/zinc/72/54/44/583725444.db2.gz VLRNEAVELRYWQN-NSHDSACASA-N 2 1 220.320 1.518 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)C2CC2)CC1(C)C ZINC000858144165 588934970 /nfs/dbraw/zinc/93/49/70/588934970.db2.gz IKVWXJITCZUESH-QWHCGFSZSA-N 2 1 240.391 1.610 20 0 BDADMP CCO[C@H](C[NH2+]C1CC2(CCC2)C1)C[NH+](C)C ZINC000896880474 583845272 /nfs/dbraw/zinc/84/52/72/583845272.db2.gz WKSTUMIWTNJKSV-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP COCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343753399 584011991 /nfs/dbraw/zinc/01/19/91/584011991.db2.gz TUUNOVORZBTXAB-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP COCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343753399 584011993 /nfs/dbraw/zinc/01/19/93/584011993.db2.gz TUUNOVORZBTXAB-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CC(=O)CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729921104 584029552 /nfs/dbraw/zinc/02/95/52/584029552.db2.gz XHHUWAYTDYQGGR-GFCCVEGCSA-N 2 1 221.304 1.499 20 0 BDADMP CC[C@](C)(C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000897620192 584032246 /nfs/dbraw/zinc/03/22/46/584032246.db2.gz IPIHCFIQCATDFJ-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@](C)(C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000897620192 584032248 /nfs/dbraw/zinc/03/22/48/584032248.db2.gz IPIHCFIQCATDFJ-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@](C)(C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000897620192 584032250 /nfs/dbraw/zinc/03/22/50/584032250.db2.gz IPIHCFIQCATDFJ-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(CCO)C1 ZINC000898011017 584071551 /nfs/dbraw/zinc/07/15/51/584071551.db2.gz MCQONDRYQHLKSX-UHFFFAOYSA-N 2 1 249.358 1.398 20 0 BDADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(CO)c2)C[N@H+]1C1CC1 ZINC000858441381 588954975 /nfs/dbraw/zinc/95/49/75/588954975.db2.gz PWRQIYLPZMTPQC-PWSUYJOCSA-N 2 1 247.342 1.611 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000873254922 584128186 /nfs/dbraw/zinc/12/81/86/584128186.db2.gz BJMZCZRMJCKUKG-POQQGIQPSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000873254922 584128187 /nfs/dbraw/zinc/12/81/87/584128187.db2.gz BJMZCZRMJCKUKG-POQQGIQPSA-N 2 1 237.391 1.186 20 0 BDADMP Cl/C=C\C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000898430178 584134627 /nfs/dbraw/zinc/13/46/27/584134627.db2.gz WEPIJGPZUXTOFT-KYXXQBJFSA-N 2 1 244.766 1.582 20 0 BDADMP C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[N@@H+](C)C1CC1 ZINC000899264350 584188988 /nfs/dbraw/zinc/18/89/88/584188988.db2.gz CJSZNXAWIWARTJ-UWVGGRQHSA-N 2 1 238.379 1.382 20 0 BDADMP CCCNc1cc(N[C@H]2C[NH2+]CC2(C)C)nc[nH+]1 ZINC000900021964 584267351 /nfs/dbraw/zinc/26/73/51/584267351.db2.gz OAAXIVXYTFRXJQ-JTQLQIEISA-N 2 1 249.362 1.708 20 0 BDADMP CNc1ccccc1CNC[C@H]1CCC[N@@H+]1C ZINC000902103358 584523841 /nfs/dbraw/zinc/52/38/41/584523841.db2.gz IXIRAMLBNWBVMX-CYBMUJFWSA-N 2 1 233.359 1.912 20 0 BDADMP CNc1ccccc1CNC[C@H]1CCC[N@H+]1C ZINC000902103358 584523842 /nfs/dbraw/zinc/52/38/42/584523842.db2.gz IXIRAMLBNWBVMX-CYBMUJFWSA-N 2 1 233.359 1.912 20 0 BDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@H]1C ZINC000902403608 584588006 /nfs/dbraw/zinc/58/80/06/584588006.db2.gz AGKXOMSGIGZILH-DCAQKATOSA-N 2 1 240.347 1.045 20 0 BDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@@H]1C ZINC000902403615 584588251 /nfs/dbraw/zinc/58/82/51/584588251.db2.gz AGKXOMSGIGZILH-VWYCJHECSA-N 2 1 240.347 1.045 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)COC2 ZINC000902415578 584589883 /nfs/dbraw/zinc/58/98/83/584589883.db2.gz JCKOIVOVYSBJFM-JTQLQIEISA-N 2 1 232.327 1.859 20 0 BDADMP [NH3+]C1(C[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000902415871 584590186 /nfs/dbraw/zinc/59/01/86/584590186.db2.gz LOWBBPGFDINVHO-UHFFFAOYSA-N 2 1 245.370 1.736 20 0 BDADMP C[C@H](Cc1ccsc1)[NH2+]CC1([NH3+])CC1 ZINC000902416840 584590954 /nfs/dbraw/zinc/59/09/54/584590954.db2.gz OPYDBSYRFNENNH-SECBINFHSA-N 2 1 210.346 1.760 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902417217 584590980 /nfs/dbraw/zinc/59/09/80/584590980.db2.gz XWOOQTDCYQKLPF-NSHDSACASA-N 2 1 234.343 1.707 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)[C@@H]1CCC[NH2+]1 ZINC000902428766 584594866 /nfs/dbraw/zinc/59/48/66/584594866.db2.gz HUNCCFJZQLHSTI-AHLTXXRQSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437971 584596385 /nfs/dbraw/zinc/59/63/85/584596385.db2.gz LHGJZLRTGTVJGQ-CJYSPXJISA-N 2 1 245.370 1.151 20 0 BDADMP C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000902449079 584605476 /nfs/dbraw/zinc/60/54/76/584605476.db2.gz LUZDHJHXEXDGDO-DGCLKSJQSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902448562 584605707 /nfs/dbraw/zinc/60/57/07/584605707.db2.gz GNNAPCYBSNTHML-RTXFEEFZSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cncs1 ZINC000902453454 584608253 /nfs/dbraw/zinc/60/82/53/584608253.db2.gz CZFGRCFHDIBQFE-ZJUUUORDSA-N 2 1 225.361 1.936 20 0 BDADMP C[C@H](NCC[N@H+]1CCC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000902454168 584608737 /nfs/dbraw/zinc/60/87/37/584608737.db2.gz GPPIJCZPZFFECV-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000902453636 584608876 /nfs/dbraw/zinc/60/88/76/584608876.db2.gz CVPCRXLVYIQLNI-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000902453636 584608877 /nfs/dbraw/zinc/60/88/77/584608877.db2.gz CVPCRXLVYIQLNI-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000902455171 584609348 /nfs/dbraw/zinc/60/93/48/584609348.db2.gz KDPJOKLTQSSLAW-OLZOCXBDSA-N 2 1 239.407 1.435 20 0 BDADMP CC1(C)CCN(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000902455171 584609349 /nfs/dbraw/zinc/60/93/49/584609349.db2.gz KDPJOKLTQSSLAW-OLZOCXBDSA-N 2 1 239.407 1.435 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000902455173 584609403 /nfs/dbraw/zinc/60/94/03/584609403.db2.gz KDPJOKLTQSSLAW-STQMWFEESA-N 2 1 239.407 1.435 20 0 BDADMP CC1(C)CCN(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000902455173 584609404 /nfs/dbraw/zinc/60/94/04/584609404.db2.gz KDPJOKLTQSSLAW-STQMWFEESA-N 2 1 239.407 1.435 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H]2CCC[C@@H]21 ZINC000902470620 584616643 /nfs/dbraw/zinc/61/66/43/584616643.db2.gz YXFWHCNSIRCEOQ-QAIIKZMUSA-N 2 1 249.402 1.342 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]2CCC[C@H]21 ZINC000902470619 584616699 /nfs/dbraw/zinc/61/66/99/584616699.db2.gz YXFWHCNSIRCEOQ-PKCACUDHSA-N 2 1 249.402 1.342 20 0 BDADMP Cc1ncccc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000902510941 584622883 /nfs/dbraw/zinc/62/28/83/584622883.db2.gz AXZYSCVTKZAWBR-CYBMUJFWSA-N 2 1 233.359 1.663 20 0 BDADMP Cc1ncccc1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000902514903 584629387 /nfs/dbraw/zinc/62/93/87/584629387.db2.gz VQUYZAAUIJMFDW-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C/C=C/Cl ZINC000902518135 584630867 /nfs/dbraw/zinc/63/08/67/584630867.db2.gz KXCQDYQBPHESMJ-RGGXIFFLSA-N 2 1 202.729 1.989 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000902518524 584630893 /nfs/dbraw/zinc/63/08/93/584630893.db2.gz MDLXOWSJUNDWPA-WKSBVSIWSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@@H+]1C ZINC000903266142 584741199 /nfs/dbraw/zinc/74/11/99/584741199.db2.gz UDAZZPVCYSWMMR-ASEORRQLSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1C ZINC000903266142 584741200 /nfs/dbraw/zinc/74/12/00/584741200.db2.gz UDAZZPVCYSWMMR-ASEORRQLSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000903433016 584762228 /nfs/dbraw/zinc/76/22/28/584762228.db2.gz RAWLLBLATNNXIK-MFKMUULPSA-N 2 1 222.376 1.962 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903421122 584763888 /nfs/dbraw/zinc/76/38/88/584763888.db2.gz QGIYNSYKNCRMQB-AWEZNQCLSA-N 2 1 248.374 1.557 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C(C)C ZINC000903459270 584765675 /nfs/dbraw/zinc/76/56/75/584765675.db2.gz FTXNQURCJJPIJF-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+](CC1=CCSC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464711 584765875 /nfs/dbraw/zinc/76/58/75/584765875.db2.gz XARNMCZZXWVGND-PWSUYJOCSA-N 2 1 226.389 1.719 20 0 BDADMP C[C@@H](c1ncccn1)[NH+]1CCC(CC[NH3+])CC1 ZINC000903460462 584766481 /nfs/dbraw/zinc/76/64/81/584766481.db2.gz CYZJEKFJXCUKIL-NSHDSACASA-N 2 1 234.347 1.598 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903460850 584766853 /nfs/dbraw/zinc/76/68/53/584766853.db2.gz JYAPDNXFPQYGJO-RFGFWPKPSA-N 3 1 237.391 1.175 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000903443610 584768514 /nfs/dbraw/zinc/76/85/14/584768514.db2.gz FLPDVKOCLZXHPK-DYEKYZERSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1[NH3+] ZINC000903453546 584772682 /nfs/dbraw/zinc/77/26/82/584772682.db2.gz BDDLOIQGNAJHRR-KAMPLNKDSA-N 2 1 230.302 1.557 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1[NH3+] ZINC000903453546 584772683 /nfs/dbraw/zinc/77/26/83/584772683.db2.gz BDDLOIQGNAJHRR-KAMPLNKDSA-N 2 1 230.302 1.557 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1CO ZINC000903453942 584773021 /nfs/dbraw/zinc/77/30/21/584773021.db2.gz PYGUMAZWKHKCQO-LBPRGKRZSA-N 2 1 214.353 1.352 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(C)nn1 ZINC000903454751 584773254 /nfs/dbraw/zinc/77/32/54/584773254.db2.gz IVQDKPCRABRPHY-ZDUSSCGKSA-N 2 1 248.374 1.571 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@H]2C2CC2)C1 ZINC000903454960 584773674 /nfs/dbraw/zinc/77/36/74/584773674.db2.gz OWSNRWUCPVIYQV-UHTWSYAYSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1=CCSC1 ZINC000903464665 584774318 /nfs/dbraw/zinc/77/43/18/584774318.db2.gz VLIDMYUDAOXINS-PWSUYJOCSA-N 2 1 226.389 1.447 20 0 BDADMP [NH3+]CCCCCCN[C@H]1CC[NH2+]C12CCC2 ZINC000903470798 584774878 /nfs/dbraw/zinc/77/48/78/584774878.db2.gz DBMYSDWXMHMPCI-LBPRGKRZSA-N 2 1 225.380 1.380 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000903472334 584776114 /nfs/dbraw/zinc/77/61/14/584776114.db2.gz SDJQMWPNYZWVNM-NWDGAFQWSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903475810 584776634 /nfs/dbraw/zinc/77/66/34/584776634.db2.gz DOZRYABQHGNLPK-XQHKEYJVSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903475810 584776635 /nfs/dbraw/zinc/77/66/35/584776635.db2.gz DOZRYABQHGNLPK-XQHKEYJVSA-N 2 1 208.349 1.859 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000903475716 584776881 /nfs/dbraw/zinc/77/68/81/584776881.db2.gz BBJSBWMCBYBGMH-REWJHTLYSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000903475716 584776883 /nfs/dbraw/zinc/77/68/83/584776883.db2.gz BBJSBWMCBYBGMH-REWJHTLYSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1CC[NH3+] ZINC000903498308 584779954 /nfs/dbraw/zinc/77/99/54/584779954.db2.gz DCIMLMJGZVLJRQ-CHWSQXEVSA-N 3 1 227.396 1.422 20 0 BDADMP CC(C)OCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903486869 584780049 /nfs/dbraw/zinc/78/00/49/584780049.db2.gz YXMUMYVMRAZVEE-GFCCVEGCSA-N 2 1 226.364 1.676 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500125 584780169 /nfs/dbraw/zinc/78/01/69/584780169.db2.gz SUNUYAGEEDWCGI-ZIAGYGMSSA-N 3 1 241.423 1.635 20 0 BDADMP OC[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903491017 584780884 /nfs/dbraw/zinc/78/08/84/584780884.db2.gz RBGAMYWWZMUEJY-OAHLLOKOSA-N 2 1 246.354 1.289 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1N ZINC000903558876 584783168 /nfs/dbraw/zinc/78/31/68/584783168.db2.gz SFSKPGPOTJFZLK-RYUDHWBXSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)CN(CC[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903558876 584783170 /nfs/dbraw/zinc/78/31/70/584783170.db2.gz SFSKPGPOTJFZLK-RYUDHWBXSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903558876 584783171 /nfs/dbraw/zinc/78/31/71/584783171.db2.gz SFSKPGPOTJFZLK-RYUDHWBXSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903558876 584783173 /nfs/dbraw/zinc/78/31/73/584783173.db2.gz SFSKPGPOTJFZLK-RYUDHWBXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903708514 584791325 /nfs/dbraw/zinc/79/13/25/584791325.db2.gz XYTZUMHJRPFZAJ-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCOC2CCSCC2)C1 ZINC000903717097 584792080 /nfs/dbraw/zinc/79/20/80/584792080.db2.gz ZONVXYZCMAPKCW-NSHDSACASA-N 2 1 244.404 1.179 20 0 BDADMP CC1(C)CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730838 584793087 /nfs/dbraw/zinc/79/30/87/584793087.db2.gz ZXGZBPFEPUEUPH-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903730440 584793200 /nfs/dbraw/zinc/79/32/00/584793200.db2.gz WHFFVTWEJIZAGE-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000903751066 584795794 /nfs/dbraw/zinc/79/57/94/584795794.db2.gz DJEKCHSBCHYQJQ-JXQTWKCFSA-N 2 1 237.391 1.012 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903744528 584796705 /nfs/dbraw/zinc/79/67/05/584796705.db2.gz UKNTUVKBKVQYPV-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903744528 584796706 /nfs/dbraw/zinc/79/67/06/584796706.db2.gz UKNTUVKBKVQYPV-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP C[N@H+](CC1=CCCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903766120 584797473 /nfs/dbraw/zinc/79/74/73/584797473.db2.gz PCILUGOMEFVXEG-CYBMUJFWSA-N 2 1 238.375 1.655 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903762800 584797660 /nfs/dbraw/zinc/79/76/60/584797660.db2.gz DITBEDAAERIHJO-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP CC1CC(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903770028 584797904 /nfs/dbraw/zinc/79/79/04/584797904.db2.gz RRJMMMIREFHQDN-FIYWTHMPSA-N 2 1 208.349 1.846 20 0 BDADMP CC1CC(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903770030 584797995 /nfs/dbraw/zinc/79/79/95/584797995.db2.gz RRJMMMIREFHQDN-IFWUJCSASA-N 2 1 208.349 1.846 20 0 BDADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903831419 584806089 /nfs/dbraw/zinc/80/60/89/584806089.db2.gz JRHVCYHQHTXDSZ-FRRDWIJNSA-N 2 1 236.359 1.097 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903832987 584806208 /nfs/dbraw/zinc/80/62/08/584806208.db2.gz UVXHXNQWPVXLBA-NSHDSACASA-N 2 1 239.388 1.617 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[C@@]13CCOC3)C2 ZINC000903838267 584806876 /nfs/dbraw/zinc/80/68/76/584806876.db2.gz AWPCUMPWGGZNDB-PDWCTOEPSA-N 2 1 236.359 1.225 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000903840491 584807432 /nfs/dbraw/zinc/80/74/32/584807432.db2.gz RILNTFGKSXCMIB-NWDGAFQWSA-N 2 1 232.343 1.300 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCCO)C2 ZINC000903845257 584807506 /nfs/dbraw/zinc/80/75/06/584807506.db2.gz GETFORMYACUBIA-AVGNSLFASA-N 2 1 226.364 1.351 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855294 584809176 /nfs/dbraw/zinc/80/91/76/584809176.db2.gz MJNAPBMVCDNBJU-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855294 584809177 /nfs/dbraw/zinc/80/91/77/584809177.db2.gz MJNAPBMVCDNBJU-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC1CCCC1 ZINC000903856898 584809830 /nfs/dbraw/zinc/80/98/30/584809830.db2.gz TUBVZVZVDXIKQB-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC1CCCC1 ZINC000903856898 584809831 /nfs/dbraw/zinc/80/98/31/584809831.db2.gz TUBVZVZVDXIKQB-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCCCF ZINC000903859001 584811069 /nfs/dbraw/zinc/81/10/69/584811069.db2.gz KTUKCXXGSAPRFK-RYUDHWBXSA-N 2 1 214.328 1.939 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCCCF ZINC000903859001 584811070 /nfs/dbraw/zinc/81/10/70/584811070.db2.gz KTUKCXXGSAPRFK-RYUDHWBXSA-N 2 1 214.328 1.939 20 0 BDADMP CCn1cc(CC[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cn1 ZINC000903859640 584811101 /nfs/dbraw/zinc/81/11/01/584811101.db2.gz OEXODPQPIICXPM-ZIAGYGMSSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cn1 ZINC000903859640 584811102 /nfs/dbraw/zinc/81/11/02/584811102.db2.gz OEXODPQPIICXPM-ZIAGYGMSSA-N 2 1 248.374 1.259 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869960 584814351 /nfs/dbraw/zinc/81/43/51/584814351.db2.gz LCQMXGSLPKSMMY-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1CCC1 ZINC000903869317 584814432 /nfs/dbraw/zinc/81/44/32/584814432.db2.gz GWYRBYLOPWVHGK-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CCC1 ZINC000903869317 584814434 /nfs/dbraw/zinc/81/44/34/584814434.db2.gz GWYRBYLOPWVHGK-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869634 584814469 /nfs/dbraw/zinc/81/44/69/584814469.db2.gz JCNCLTASDPIAGA-MELADBBJSA-N 2 1 236.359 1.241 20 0 BDADMP Cn1c[nH+]cc1CCCN1CCC[C@@]12CC[NH2+]C2 ZINC000903871320 584815549 /nfs/dbraw/zinc/81/55/49/584815549.db2.gz SEINHIZJRLVCMO-AWEZNQCLSA-N 2 1 248.374 1.181 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000903873750 584815952 /nfs/dbraw/zinc/81/59/52/584815952.db2.gz MDMGLMMFRIVLEY-RKFYDKJMSA-N 3 1 237.391 1.186 20 0 BDADMP C[N@@H+](C[C@@H](N)CC(F)F)C1CCC([NH3+])CC1 ZINC000903873279 584815980 /nfs/dbraw/zinc/81/59/80/584815980.db2.gz GHSNIUBKVHLINV-KYHHOPLUSA-N 2 1 235.322 1.171 20 0 BDADMP CN(C[C@@H]([NH3+])CC(F)F)C1CCC([NH3+])CC1 ZINC000903873279 584815981 /nfs/dbraw/zinc/81/59/81/584815981.db2.gz GHSNIUBKVHLINV-KYHHOPLUSA-N 2 1 235.322 1.171 20 0 BDADMP CN(C[C@@H]([NH3+])CC(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000903892912 584818928 /nfs/dbraw/zinc/81/89/28/584818928.db2.gz XZYCQKLZWULGIB-ONGXEEELSA-N 2 1 247.333 1.137 20 0 BDADMP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000903894703 584819968 /nfs/dbraw/zinc/81/99/68/584819968.db2.gz CALPLVDZTGVTPX-LBPRGKRZSA-N 2 1 249.362 1.187 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903918610 584822556 /nfs/dbraw/zinc/82/25/56/584822556.db2.gz CQCGSQJZZWKEQF-DTWKUNHWSA-N 3 1 223.311 1.076 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919883 584823080 /nfs/dbraw/zinc/82/30/80/584823080.db2.gz QBXIYMFCFOCSGF-APYLGABCSA-N 3 1 237.391 1.105 20 0 BDADMP C[NH+](C)C1CCC([NH2+]C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903929237 584824568 /nfs/dbraw/zinc/82/45/68/584824568.db2.gz CMNPJRVBAWUWIG-WHXUTIOJSA-N 3 1 249.349 1.431 20 0 BDADMP C[N@H+](Cc1c[nH]cn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931382 584825214 /nfs/dbraw/zinc/82/52/14/584825214.db2.gz CFMFDXFNQCGJHH-YOGCLGLASA-N 2 1 234.347 1.372 20 0 BDADMP C(N[C@]12CCC[C@@H]1[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937134 584826265 /nfs/dbraw/zinc/82/62/65/584826265.db2.gz BYAHIAWSJNVMRW-CHZLEKFTSA-N 2 1 249.402 1.391 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](N)CC(F)F ZINC000903937868 584826326 /nfs/dbraw/zinc/82/63/26/584826326.db2.gz SZNJWHSGUHQYQL-JTQLQIEISA-N 2 1 237.338 1.420 20 0 BDADMP CN(CCCCCC[NH3+])C[C@@H]([NH3+])CC(F)F ZINC000903937868 584826327 /nfs/dbraw/zinc/82/63/27/584826327.db2.gz SZNJWHSGUHQYQL-JTQLQIEISA-N 2 1 237.338 1.420 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903953339 584831547 /nfs/dbraw/zinc/83/15/47/584831547.db2.gz DCEKGCSXGSXFRI-MELADBBJSA-N 2 1 240.391 1.861 20 0 BDADMP FC1(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956749 584832042 /nfs/dbraw/zinc/83/20/42/584832042.db2.gz NYERCWARNZFVBC-MRVPVSSYSA-N 2 1 222.254 1.323 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969772 584832088 /nfs/dbraw/zinc/83/20/88/584832088.db2.gz KXIWKLIXDQQDNW-AGIUHOORSA-N 2 1 238.375 1.391 20 0 BDADMP Nc1ccnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000903954777 584832275 /nfs/dbraw/zinc/83/22/75/584832275.db2.gz VJLBNYJVTFYQDH-MWLCHTKSSA-N 2 1 220.320 1.023 20 0 BDADMP Nc1ccnc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000903954776 584832294 /nfs/dbraw/zinc/83/22/94/584832294.db2.gz VJLBNYJVTFYQDH-KOLCDFICSA-N 2 1 220.320 1.023 20 0 BDADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964597 584834132 /nfs/dbraw/zinc/83/41/32/584834132.db2.gz RBPPTAPYCYOQDR-UHIISALHSA-N 2 1 236.334 1.954 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC000903964002 584834273 /nfs/dbraw/zinc/83/42/73/584834273.db2.gz DHGODDGONSVJGR-KOLCDFICSA-N 2 1 240.297 1.910 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](N)C(C)(C)C2)CC[NH2+]1 ZINC000903987033 584835756 /nfs/dbraw/zinc/83/57/56/584835756.db2.gz XBBQLRXBOXQKLX-GRYCIOLGSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[C@@H](CN2C[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]1 ZINC000903987033 584835758 /nfs/dbraw/zinc/83/57/58/584835758.db2.gz XBBQLRXBOXQKLX-GRYCIOLGSA-N 2 1 225.380 1.044 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000904297375 584860021 /nfs/dbraw/zinc/86/00/21/584860021.db2.gz KQNPVRIPXDJSMK-FQUUOJAGSA-N 3 1 237.391 1.188 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904302056 584861717 /nfs/dbraw/zinc/86/17/17/584861717.db2.gz UKGMLMLWAAYOAT-LSDHHAIUSA-N 3 1 247.386 1.705 20 0 BDADMP CC[C@H]1CN(Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904302056 584861719 /nfs/dbraw/zinc/86/17/19/584861719.db2.gz UKGMLMLWAAYOAT-LSDHHAIUSA-N 2 1 247.386 1.705 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338243 584863204 /nfs/dbraw/zinc/86/32/04/584863204.db2.gz PJAAQYUCHSJSLK-BETUJISGSA-N 3 1 225.380 1.141 20 0 BDADMP C[N@H+](CCCN1CCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338243 584863205 /nfs/dbraw/zinc/86/32/05/584863205.db2.gz PJAAQYUCHSJSLK-BETUJISGSA-N 2 1 225.380 1.141 20 0 BDADMP C[N@@H+](CCCN1CCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338243 584863206 /nfs/dbraw/zinc/86/32/06/584863206.db2.gz PJAAQYUCHSJSLK-BETUJISGSA-N 2 1 225.380 1.141 20 0 BDADMP C[C@@H](O)CC[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904321677 584864566 /nfs/dbraw/zinc/86/45/66/584864566.db2.gz BQAKHUNKLBROSF-NEPJUHHUSA-N 2 1 230.396 1.843 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904321677 584864567 /nfs/dbraw/zinc/86/45/67/584864567.db2.gz BQAKHUNKLBROSF-NEPJUHHUSA-N 2 1 230.396 1.843 20 0 BDADMP COC1CCC([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904322256 584864911 /nfs/dbraw/zinc/86/49/11/584864911.db2.gz UHOAQYJOJPYVMU-MPEURRAXSA-N 2 1 226.364 1.613 20 0 BDADMP CN(C)c1cccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904327109 584865522 /nfs/dbraw/zinc/86/55/22/584865522.db2.gz ZBDUTJNAZZRHMP-OKILXGFUSA-N 2 1 247.386 1.922 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1n1ccnc1 ZINC000904327958 584865599 /nfs/dbraw/zinc/86/55/99/584865599.db2.gz JZQQUUAIOHJIHO-MQYQWHSLSA-N 2 1 248.374 1.503 20 0 BDADMP CCOC(=O)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C ZINC000904330789 584866210 /nfs/dbraw/zinc/86/62/10/584866210.db2.gz CNYHIRHLOOEJLQ-OUAUKWLOSA-N 2 1 242.363 1.291 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOC[C@H]2c2ccccc2)C1 ZINC000904341556 584867033 /nfs/dbraw/zinc/86/70/33/584867033.db2.gz PFUOVXLJVCZSGN-CFVMTHIKSA-N 2 1 246.354 1.797 20 0 BDADMP CC(C)c1ncc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000904342457 584867434 /nfs/dbraw/zinc/86/74/34/584867434.db2.gz IBJLPSIDDSITDD-BJHJDKERSA-N 2 1 248.374 1.769 20 0 BDADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1O ZINC000904345273 584868099 /nfs/dbraw/zinc/86/80/99/584868099.db2.gz BXLGNHCSDRRPFW-XQHKEYJVSA-N 2 1 240.391 1.453 20 0 BDADMP CC(C)C[C@]1(CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345813 584868522 /nfs/dbraw/zinc/86/85/22/584868522.db2.gz JISQKYPCSRLYOY-MJBXVCDLSA-N 2 1 240.391 1.597 20 0 BDADMP C[C@@]1(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351180 584869555 /nfs/dbraw/zinc/86/95/55/584869555.db2.gz VUXZOOKJBLVNON-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351180 584869556 /nfs/dbraw/zinc/86/95/56/584869556.db2.gz VUXZOOKJBLVNON-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP [NH3+]C[C@H]([NH2+]C1CC(C[NH3+])C1)C1CCCCC1 ZINC000904352855 584869770 /nfs/dbraw/zinc/86/97/70/584869770.db2.gz DOYXRLPZOFXZLC-GDKBPFBDSA-N 3 1 225.380 1.221 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904367764 584872911 /nfs/dbraw/zinc/87/29/11/584872911.db2.gz HZVDPYBRHPGEAL-CQSZACIVSA-N 3 1 241.423 1.698 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1CCO ZINC000904372236 584873407 /nfs/dbraw/zinc/87/34/07/584873407.db2.gz ZTOUIACKHWFLQX-QWHCGFSZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CCO ZINC000904372236 584873408 /nfs/dbraw/zinc/87/34/08/584873408.db2.gz ZTOUIACKHWFLQX-QWHCGFSZSA-N 2 1 242.407 1.987 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)C1 ZINC000904372096 584873438 /nfs/dbraw/zinc/87/34/38/584873438.db2.gz YMFCSVGSZCGGEZ-FAAHXZRKSA-N 2 1 246.354 1.532 20 0 BDADMP C[C@@H](O)C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1CC1 ZINC000904377645 584875979 /nfs/dbraw/zinc/87/59/79/584875979.db2.gz VPGZBDCOJZEPPT-NEPJUHHUSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@@H](O)C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1CC1 ZINC000904377645 584875981 /nfs/dbraw/zinc/87/59/81/584875981.db2.gz VPGZBDCOJZEPPT-NEPJUHHUSA-N 2 1 242.407 1.985 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904383927 584877244 /nfs/dbraw/zinc/87/72/44/584877244.db2.gz DDWVXYZLCTUESB-JSGCOSHPSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904385507 584877946 /nfs/dbraw/zinc/87/79/46/584877946.db2.gz ZQCBGIVUHYLTRM-SMDDNHRTSA-N 2 1 233.359 1.172 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000904405594 584878453 /nfs/dbraw/zinc/87/84/53/584878453.db2.gz KCYPWRGABWZHMH-LBPRGKRZSA-N 2 1 244.342 1.505 20 0 BDADMP C[C@H]1C[N@@H+](CC2=CCCOC2)CC[C@H]1C[NH3+] ZINC000904411263 584879058 /nfs/dbraw/zinc/87/90/58/584879058.db2.gz SZVDQIVDSLEWKE-AAEUAGOBSA-N 2 1 224.348 1.250 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410596 584879346 /nfs/dbraw/zinc/87/93/46/584879346.db2.gz PNOLQIMAPLSHCG-FRRDWIJNSA-N 3 1 227.396 1.134 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407287 584879371 /nfs/dbraw/zinc/87/93/71/584879371.db2.gz SKUZCIDWLMVHEF-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411317 584879613 /nfs/dbraw/zinc/87/96/13/584879613.db2.gz UMHHBDUGLWBDON-GRYCIOLGSA-N 2 1 214.353 1.186 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H](O)c1ccsc1 ZINC000841095862 584884859 /nfs/dbraw/zinc/88/48/59/584884859.db2.gz PKGZSNHVEPKTLT-RYUDHWBXSA-N 2 1 242.388 1.745 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCCCCC[NH3+] ZINC000842476778 584897816 /nfs/dbraw/zinc/89/78/16/584897816.db2.gz VKKKLURAHUVXHN-MGPQQGTHSA-N 3 1 241.423 1.872 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144949 584972901 /nfs/dbraw/zinc/97/29/01/584972901.db2.gz SMEFJXKFHXDXSE-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815144949 584972902 /nfs/dbraw/zinc/97/29/02/584972902.db2.gz SMEFJXKFHXDXSE-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838862563 585075923 /nfs/dbraw/zinc/07/59/23/585075923.db2.gz KTBYRPWAGLWNTA-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838862563 585075924 /nfs/dbraw/zinc/07/59/24/585075924.db2.gz KTBYRPWAGLWNTA-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838862563 585075925 /nfs/dbraw/zinc/07/59/25/585075925.db2.gz KTBYRPWAGLWNTA-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CC2)[C@@H](C)C1 ZINC000838895417 585079396 /nfs/dbraw/zinc/07/93/96/585079396.db2.gz OHMPTSFVEULHKP-UBHSHLNASA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)C2CC2)[C@@H](C)C1 ZINC000838895417 585079397 /nfs/dbraw/zinc/07/93/97/585079397.db2.gz OHMPTSFVEULHKP-UBHSHLNASA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)C2CC2)[C@@H](C)C1 ZINC000838895417 585079398 /nfs/dbraw/zinc/07/93/98/585079398.db2.gz OHMPTSFVEULHKP-UBHSHLNASA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)C2CC2)CC1 ZINC000838969437 585082998 /nfs/dbraw/zinc/08/29/98/585082998.db2.gz XTWVLXZLTDSGHB-OLZOCXBDSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H](O)C1CC1 ZINC000839029519 585088518 /nfs/dbraw/zinc/08/85/18/585088518.db2.gz GWSYQVXVIURPIM-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000741215601 585111446 /nfs/dbraw/zinc/11/14/46/585111446.db2.gz IWPDQTUUSDJNHN-LBPRGKRZSA-N 2 1 243.395 1.031 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000755071943 585293729 /nfs/dbraw/zinc/29/37/29/585293729.db2.gz IOLVPMTZYBKSAB-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000755071943 585293730 /nfs/dbraw/zinc/29/37/30/585293730.db2.gz IOLVPMTZYBKSAB-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CC[NH+]2CCCC2)C[C@H]1C ZINC000766254401 585499703 /nfs/dbraw/zinc/49/97/03/585499703.db2.gz QAAQCXOZTDBHST-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)C2CC2)CCN1C ZINC000767414201 585519530 /nfs/dbraw/zinc/51/95/30/585519530.db2.gz IVMKQAIKNSPVMA-DGCLKSJQSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+]1CCCC1 ZINC000771458169 585594759 /nfs/dbraw/zinc/59/47/59/585594759.db2.gz CZBPWWOVAGVOTF-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@H]1CNC(=O)CCCCCC[NH3+] ZINC000224046845 585719691 /nfs/dbraw/zinc/71/96/91/585719691.db2.gz MVTSJBUEWLYBFZ-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)nc1 ZINC000778157848 585726650 /nfs/dbraw/zinc/72/66/50/585726650.db2.gz DQLZNQIPBJMIAL-UHFFFAOYSA-N 2 1 248.305 1.906 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779393281 585753121 /nfs/dbraw/zinc/75/31/21/585753121.db2.gz RCYUWICCVGJMTL-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782475947 585818598 /nfs/dbraw/zinc/81/85/98/585818598.db2.gz PKKVSNRANBFUEY-NSHDSACASA-N 2 1 214.353 1.295 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000783240804 585831842 /nfs/dbraw/zinc/83/18/42/585831842.db2.gz RQVMGUWTCGXSOD-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CCCCC[N@@H+](CCO)CC1CC[NH+](C)CC1 ZINC000788480898 585924848 /nfs/dbraw/zinc/92/48/48/585924848.db2.gz BWLMQBKHBSYZIR-UHFFFAOYSA-N 2 1 242.407 1.813 20 0 BDADMP C[C@@H](C[S@](C)=O)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000788490085 585925560 /nfs/dbraw/zinc/92/55/60/585925560.db2.gz XEKKSZILXCXXST-ZBEGNZNMSA-N 2 1 246.420 1.027 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000799308963 586169636 /nfs/dbraw/zinc/16/96/36/586169636.db2.gz HMNYCHOQBYGULE-FRRDWIJNSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000799308963 586169637 /nfs/dbraw/zinc/16/96/37/586169637.db2.gz HMNYCHOQBYGULE-FRRDWIJNSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000799308963 586169638 /nfs/dbraw/zinc/16/96/38/586169638.db2.gz HMNYCHOQBYGULE-FRRDWIJNSA-N 2 1 228.380 1.419 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)cn1 ZINC000808382397 586469965 /nfs/dbraw/zinc/46/99/65/586469965.db2.gz YIJJWQONMGVTLK-UHFFFAOYSA-N 2 1 233.319 1.105 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)cn1 ZINC000808387612 586470573 /nfs/dbraw/zinc/47/05/73/586470573.db2.gz WKGOFZLVEWBZRE-NSHDSACASA-N 2 1 247.346 1.351 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815145562 586670527 /nfs/dbraw/zinc/67/05/27/586670527.db2.gz YRASEMYZGWLUPB-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815145562 586670528 /nfs/dbraw/zinc/67/05/28/586670528.db2.gz YRASEMYZGWLUPB-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815145562 586670529 /nfs/dbraw/zinc/67/05/29/586670529.db2.gz YRASEMYZGWLUPB-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817892512 586832747 /nfs/dbraw/zinc/83/27/47/586832747.db2.gz ASNQGQDHARRQBK-LEWSCRJBSA-N 2 1 234.343 1.709 20 0 BDADMP C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817911445 586838654 /nfs/dbraw/zinc/83/86/54/586838654.db2.gz AMHFYNNTPZYVRA-SNPRPXQTSA-N 2 1 248.370 1.624 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000817914725 586838826 /nfs/dbraw/zinc/83/88/26/586838826.db2.gz YGNRHIPSVMYXOI-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000817914725 586838829 /nfs/dbraw/zinc/83/88/29/586838829.db2.gz YGNRHIPSVMYXOI-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccnc1Cl ZINC000817962217 586853444 /nfs/dbraw/zinc/85/34/44/586853444.db2.gz JFYIYTYKKOWOCE-IUCAKERBSA-N 2 1 227.739 1.980 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817970965 586857326 /nfs/dbraw/zinc/85/73/26/586857326.db2.gz ISXUBOLTZVAGJE-NXEZZACHSA-N 2 1 220.316 1.619 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817970968 586858196 /nfs/dbraw/zinc/85/81/96/586858196.db2.gz ISXUBOLTZVAGJE-ZJUUUORDSA-N 2 1 220.316 1.619 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817970219 586858271 /nfs/dbraw/zinc/85/82/71/586858271.db2.gz ORTWDOVEEALARO-UWVGGRQHSA-N 2 1 220.316 1.619 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CCC[NH2+]C2CC2)n(C)n1 ZINC000817984751 586862729 /nfs/dbraw/zinc/86/27/29/586862729.db2.gz YTNFTAFJNAJCGT-NSHDSACASA-N 2 1 236.363 1.521 20 0 BDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](C)O)cn1 ZINC000818969643 586918354 /nfs/dbraw/zinc/91/83/54/586918354.db2.gz RKYCQVHVMGTGDG-SNVBAGLBSA-N 2 1 246.314 1.046 20 0 BDADMP Cc1ccc(NCCC[NH2+]C[C@H](O)C2CC2)[nH+]c1 ZINC000819129417 586932728 /nfs/dbraw/zinc/93/27/28/586932728.db2.gz IPZUCSHRECLUCA-ZDUSSCGKSA-N 2 1 249.358 1.553 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841032805 587936866 /nfs/dbraw/zinc/93/68/66/587936866.db2.gz YPGHVZCFYKPEFS-UHFFFAOYSA-N 3 1 247.386 1.372 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842472973 588029422 /nfs/dbraw/zinc/02/94/22/588029422.db2.gz NVRRQZLDPIDEOO-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842472973 588029425 /nfs/dbraw/zinc/02/94/25/588029425.db2.gz NVRRQZLDPIDEOO-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CCCCCC[NH3+] ZINC000843130176 588085635 /nfs/dbraw/zinc/08/56/35/588085635.db2.gz ZJMOASYECLLBJY-UHFFFAOYSA-N 2 1 210.325 1.327 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]CCCCCC[NH3+] ZINC000843129916 588085688 /nfs/dbraw/zinc/08/56/88/588085688.db2.gz UKPNIEUJKBERAL-LBPRGKRZSA-N 2 1 215.385 1.469 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343653 588101578 /nfs/dbraw/zinc/10/15/78/588101578.db2.gz BUVJLDHPQDCFQB-CHWSQXEVSA-N 2 1 227.396 1.755 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843353968 588103248 /nfs/dbraw/zinc/10/32/48/588103248.db2.gz SXMAKQMLIWACCH-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843354286 588103313 /nfs/dbraw/zinc/10/33/13/588103313.db2.gz XNYIWZODGKSEAZ-CHWSQXEVSA-N 3 1 227.396 1.565 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846217706 588260286 /nfs/dbraw/zinc/26/02/86/588260286.db2.gz MMLLYFWTFRKPJX-RYUDHWBXSA-N 3 1 213.369 1.175 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846213896 588260404 /nfs/dbraw/zinc/26/04/04/588260404.db2.gz DMRZKGIFNRUGNA-ZDUSSCGKSA-N 3 1 227.396 1.437 20 0 BDADMP C[C@@H](N)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846216093 588260433 /nfs/dbraw/zinc/26/04/33/588260433.db2.gz PKLFURDOLLNKRR-CHWSQXEVSA-N 3 1 227.396 1.707 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCCN1CCCCCC[NH3+] ZINC000846216093 588260434 /nfs/dbraw/zinc/26/04/34/588260434.db2.gz PKLFURDOLLNKRR-CHWSQXEVSA-N 3 1 227.396 1.707 20 0 BDADMP Cl/C=C/C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846219671 588260690 /nfs/dbraw/zinc/26/06/90/588260690.db2.gz FAIBVDXYDUNICG-ORCRQEGFSA-N 2 1 214.740 1.814 20 0 BDADMP C[C@@]1(F)CNCC[N@H+](CCCCCC[NH3+])C1 ZINC000846221271 588261342 /nfs/dbraw/zinc/26/13/42/588261342.db2.gz WEADUICWYWTRQK-GFCCVEGCSA-N 3 1 231.359 1.139 20 0 BDADMP C[C@@]1(F)CNCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846221271 588261343 /nfs/dbraw/zinc/26/13/43/588261343.db2.gz WEADUICWYWTRQK-GFCCVEGCSA-N 2 1 231.359 1.139 20 0 BDADMP Cn1c(C[NH2+]CCC[NH+]2CCC2)cnc1Cl ZINC000848544582 588393283 /nfs/dbraw/zinc/39/32/83/588393283.db2.gz NNMVWMGQSPAULT-UHFFFAOYSA-N 2 1 242.754 1.259 20 0 BDADMP C[C@@H](CNC(=[NH2+])N1CCCCCC1)[NH+](C)C ZINC000848996541 588428994 /nfs/dbraw/zinc/42/89/94/588428994.db2.gz CZMUQBLRBSMNNS-NSHDSACASA-N 2 1 226.368 1.337 20 0 BDADMP C[N@H+](CCNC(=[NH2+])N1CCCCC1)C1CC1 ZINC000848997486 588429344 /nfs/dbraw/zinc/42/93/44/588429344.db2.gz LIWPCPTWPHFEJD-UHFFFAOYSA-N 2 1 224.352 1.091 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])N1CCCCC1)C1CC1 ZINC000848997486 588429346 /nfs/dbraw/zinc/42/93/46/588429346.db2.gz LIWPCPTWPHFEJD-UHFFFAOYSA-N 2 1 224.352 1.091 20 0 BDADMP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N[C@@H](C)CC ZINC000849000982 588430747 /nfs/dbraw/zinc/43/07/47/588430747.db2.gz KRAUVPAJIOJJRL-WDEREUQCSA-N 2 1 228.384 1.629 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NC1CCC1)C(C)C ZINC000849001016 588430996 /nfs/dbraw/zinc/43/09/96/588430996.db2.gz PEEHXYMYJMXUOD-UHFFFAOYSA-N 2 1 226.368 1.383 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H](C)F ZINC000849033600 588443945 /nfs/dbraw/zinc/44/39/45/588443945.db2.gz RHCFKFGDTJMLKO-MNOVXSKESA-N 2 1 244.358 1.333 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N(C)C1CC1 ZINC000849046884 588450197 /nfs/dbraw/zinc/45/01/97/588450197.db2.gz MSBXWMYAGXPMFC-UHFFFAOYSA-N 2 1 240.395 1.583 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOC(F)F)CC[C@@H]21 ZINC000851812473 588632637 /nfs/dbraw/zinc/63/26/37/588632637.db2.gz GTWORKPCLUSRMU-MNOVXSKESA-N 2 1 248.317 1.642 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOC(F)F)CC[C@@H]21 ZINC000851812473 588632638 /nfs/dbraw/zinc/63/26/38/588632638.db2.gz GTWORKPCLUSRMU-MNOVXSKESA-N 2 1 248.317 1.642 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOC(F)F)CC[C@@H]21 ZINC000851812473 588632639 /nfs/dbraw/zinc/63/26/39/588632639.db2.gz GTWORKPCLUSRMU-MNOVXSKESA-N 2 1 248.317 1.642 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOC(F)F)CC[C@@H]21 ZINC000851812473 588632640 /nfs/dbraw/zinc/63/26/40/588632640.db2.gz GTWORKPCLUSRMU-MNOVXSKESA-N 2 1 248.317 1.642 20 0 BDADMP COC(C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000852105461 588663967 /nfs/dbraw/zinc/66/39/67/588663967.db2.gz KELOFSOVRNCTSC-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000852105461 588663968 /nfs/dbraw/zinc/66/39/68/588663968.db2.gz KELOFSOVRNCTSC-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000852105461 588663969 /nfs/dbraw/zinc/66/39/69/588663969.db2.gz KELOFSOVRNCTSC-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000852105461 588663970 /nfs/dbraw/zinc/66/39/70/588663970.db2.gz KELOFSOVRNCTSC-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP CC[N@H+]1CCCN(CC[NH+]2CCCC2)[C@@H](C)C1 ZINC000852165964 588668695 /nfs/dbraw/zinc/66/86/95/588668695.db2.gz NPJVCJHOCIGVDH-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NCc1cnc[nH]1 ZINC000852715831 588697451 /nfs/dbraw/zinc/69/74/51/588697451.db2.gz AEFVYSNXMITTOX-UHFFFAOYSA-N 2 1 224.352 1.620 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOC(F)F)C[C@H]21 ZINC000852746629 588699267 /nfs/dbraw/zinc/69/92/67/588699267.db2.gz MUWRXALALMMDTH-IVZWLZJFSA-N 2 1 234.290 1.285 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOC(F)F ZINC000852750601 588700028 /nfs/dbraw/zinc/70/00/28/588700028.db2.gz ZUAYGJAUKCEGON-HLTSFMKQSA-N 2 1 222.279 1.202 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)C12CCC2 ZINC000864055655 589336014 /nfs/dbraw/zinc/33/60/14/589336014.db2.gz VEIPYSCCMRDTJV-RYUDHWBXSA-N 2 1 235.306 1.580 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000864450985 589364782 /nfs/dbraw/zinc/36/47/82/589364782.db2.gz FPTJNNQKDFKXSB-JTQLQIEISA-N 2 1 226.368 1.241 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864455267 589366504 /nfs/dbraw/zinc/36/65/04/589366504.db2.gz LIXWZUDFJMJRGE-GRYCIOLGSA-N 2 1 238.379 1.239 20 0 BDADMP CC[C@H]1CCN(C(=[NH2+])NCC[N@@H+](C)C(C)C)C1 ZINC000864456700 589367259 /nfs/dbraw/zinc/36/72/59/589367259.db2.gz KAVCYPVGOCEFKS-LBPRGKRZSA-N 2 1 240.395 1.583 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864459035 589368464 /nfs/dbraw/zinc/36/84/64/589368464.db2.gz YQKKUTWCVPOOCY-GHMZBOCLSA-N 2 1 226.368 1.241 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000866671944 589510736 /nfs/dbraw/zinc/51/07/36/589510736.db2.gz DDHBRFPIGHWRQX-VXGBXAGGSA-N 3 1 213.369 1.032 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CCCCCC[NH3+])C1 ZINC000866703002 589513456 /nfs/dbraw/zinc/51/34/56/589513456.db2.gz IFIILFOMKDNOPO-GFCCVEGCSA-N 2 1 228.380 1.598 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704571 589513559 /nfs/dbraw/zinc/51/35/59/589513559.db2.gz WIOFOLYBUMKIMO-ZIAGYGMSSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704571 589513560 /nfs/dbraw/zinc/51/35/60/589513560.db2.gz WIOFOLYBUMKIMO-ZIAGYGMSSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704571 589513561 /nfs/dbraw/zinc/51/35/61/589513561.db2.gz WIOFOLYBUMKIMO-ZIAGYGMSSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704571 589513562 /nfs/dbraw/zinc/51/35/62/589513562.db2.gz WIOFOLYBUMKIMO-ZIAGYGMSSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@H]21 ZINC000866704571 589513563 /nfs/dbraw/zinc/51/35/63/589513563.db2.gz WIOFOLYBUMKIMO-ZIAGYGMSSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703719 589513618 /nfs/dbraw/zinc/51/36/18/589513618.db2.gz KTYGXBKQAHCKKH-ZFWWWQNUSA-N 2 1 245.370 1.795 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703719 589513619 /nfs/dbraw/zinc/51/36/19/589513619.db2.gz KTYGXBKQAHCKKH-ZFWWWQNUSA-N 2 1 245.370 1.795 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703719 589513620 /nfs/dbraw/zinc/51/36/20/589513620.db2.gz KTYGXBKQAHCKKH-ZFWWWQNUSA-N 2 1 245.370 1.795 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000866702484 589513737 /nfs/dbraw/zinc/51/37/37/589513737.db2.gz CAFBNQFZRXTFSC-GFCCVEGCSA-N 2 1 226.364 1.079 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866702609 589513916 /nfs/dbraw/zinc/51/39/16/589513916.db2.gz DAFFQPRMVUBZLR-CHWSQXEVSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000866707188 589514264 /nfs/dbraw/zinc/51/42/64/589514264.db2.gz SYZIWFPUEFUQEZ-GXTWGEPZSA-N 2 1 240.391 1.720 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC000866724129 589515834 /nfs/dbraw/zinc/51/58/34/589515834.db2.gz INEYSXRDZHVCIA-UONOGXRCSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC000866724129 589515836 /nfs/dbraw/zinc/51/58/36/589515836.db2.gz INEYSXRDZHVCIA-UONOGXRCSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCS1 ZINC000123467560 589719987 /nfs/dbraw/zinc/71/99/87/589719987.db2.gz NPXLNKUGTGQOIX-LLVKDONJSA-N 2 1 216.394 1.943 20 0 BDADMP C[C@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792258 589819978 /nfs/dbraw/zinc/81/99/78/589819978.db2.gz SQCNTMCBQRVIEN-BRDYZLGLSA-N 2 1 222.292 1.087 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H](C)C1 ZINC000872125735 589875363 /nfs/dbraw/zinc/87/53/63/589875363.db2.gz CKMKAZWPJCMZFG-CYDGBPFRSA-N 2 1 226.364 1.077 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141315 589881754 /nfs/dbraw/zinc/88/17/54/589881754.db2.gz DIDQWGZZLAJVSD-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP FC(F)[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000872146168 589884937 /nfs/dbraw/zinc/88/49/37/589884937.db2.gz HIFNQVUQLAZDCP-WDEREUQCSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000872146168 589884939 /nfs/dbraw/zinc/88/49/39/589884939.db2.gz HIFNQVUQLAZDCP-WDEREUQCSA-N 2 1 248.317 1.342 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000872154208 589886110 /nfs/dbraw/zinc/88/61/10/589886110.db2.gz NQYAUUUJWODCHM-LSDHHAIUSA-N 2 1 245.370 1.556 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCC[NH2+]C1 ZINC000872154937 589886365 /nfs/dbraw/zinc/88/63/65/589886365.db2.gz FXVRGHRNXGMSMU-CYBMUJFWSA-N 3 1 227.396 1.437 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2cnc(N)cn2)[C@@H]1CC[NH3+] ZINC000873213563 589997051 /nfs/dbraw/zinc/99/70/51/589997051.db2.gz HTDIMQYGWIQZHT-CMPLNLGQSA-N 2 1 249.362 1.008 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cnc(N)cn2)[C@@H]1CC[NH3+] ZINC000873213563 589997053 /nfs/dbraw/zinc/99/70/53/589997053.db2.gz HTDIMQYGWIQZHT-CMPLNLGQSA-N 2 1 249.362 1.008 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)CC[NH2+]C1 ZINC000873221384 589999945 /nfs/dbraw/zinc/99/99/45/589999945.db2.gz IYWWMPYTJJHCRF-AGIUHOORSA-N 2 1 240.416 1.671 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc[nH]n2)C1 ZINC000873224065 590001226 /nfs/dbraw/zinc/00/12/26/590001226.db2.gz XCZUUQDBVUJWKH-ZDUSSCGKSA-N 2 1 236.363 1.607 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000873224065 590001229 /nfs/dbraw/zinc/00/12/29/590001229.db2.gz XCZUUQDBVUJWKH-ZDUSSCGKSA-N 2 1 236.363 1.607 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234029 590003092 /nfs/dbraw/zinc/00/30/92/590003092.db2.gz BFYLAGHYTPBCHU-OLZOCXBDSA-N 2 1 242.407 1.905 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCCO1 ZINC000873238299 590005663 /nfs/dbraw/zinc/00/56/63/590005663.db2.gz ZEIRTOFHIBOBQM-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)N1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873256048 590010970 /nfs/dbraw/zinc/01/09/70/590010970.db2.gz LQOFYXHLGHROHE-TXEJJXNPSA-N 2 1 225.380 1.186 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263510 590014481 /nfs/dbraw/zinc/01/44/81/590014481.db2.gz IRYXDIKZUGSWNL-FOUMNBMASA-N 2 1 248.374 1.899 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873270880 590016211 /nfs/dbraw/zinc/01/62/11/590016211.db2.gz BXLVAHGPSYUFJG-UWVGGRQHSA-N 2 1 236.363 1.757 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1c[nH+]ccc1N ZINC000873281433 590018544 /nfs/dbraw/zinc/01/85/44/590018544.db2.gz IXPORRZEQAOEQF-MNOVXSKESA-N 2 1 249.358 1.960 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000873281339 590019059 /nfs/dbraw/zinc/01/90/59/590019059.db2.gz HSJAMMAGIZQRIF-WOPDTQHZSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CC[N@@H+](CC)C1)OC ZINC000876942696 590259427 /nfs/dbraw/zinc/25/94/27/590259427.db2.gz BTQCPWLZVZSSDM-MJBXVCDLSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@H+](CC[NH2+]CCC[C@H]1CCO1)C(C)C ZINC000876995960 590266926 /nfs/dbraw/zinc/26/69/26/590266926.db2.gz LALJATKTBFSDBV-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP CC[N@@H+](CC[NH2+]CCC[C@H]1CCO1)C(C)C ZINC000876995960 590266927 /nfs/dbraw/zinc/26/69/27/590266927.db2.gz LALJATKTBFSDBV-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCO3)CC[C@H]21 ZINC000877742079 590409381 /nfs/dbraw/zinc/40/93/81/590409381.db2.gz OKONTYMDENYIAI-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)CC[C@H]21 ZINC000877742079 590409382 /nfs/dbraw/zinc/40/93/82/590409382.db2.gz OKONTYMDENYIAI-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)CC[C@H]21 ZINC000877742079 590409383 /nfs/dbraw/zinc/40/93/83/590409383.db2.gz OKONTYMDENYIAI-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC[C@H]3CCO3)CC[C@H]21 ZINC000877743393 590411102 /nfs/dbraw/zinc/41/11/02/590411102.db2.gz VNGSHUOCCILWMH-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC[C@H]3CCO3)CC[C@H]21 ZINC000877743393 590411104 /nfs/dbraw/zinc/41/11/04/590411104.db2.gz VNGSHUOCCILWMH-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC[C@H]3CCO3)CC[C@H]21 ZINC000877743393 590411107 /nfs/dbraw/zinc/41/11/07/590411107.db2.gz VNGSHUOCCILWMH-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC[C@H]3CCO3)CC[C@H]21 ZINC000877743393 590411108 /nfs/dbraw/zinc/41/11/08/590411108.db2.gz VNGSHUOCCILWMH-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCOC3)CC[C@H]21 ZINC000877744035 590411501 /nfs/dbraw/zinc/41/15/01/590411501.db2.gz ZKAJFOMQSRHHMN-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCOC3)CC[C@H]21 ZINC000877744035 590411503 /nfs/dbraw/zinc/41/15/03/590411503.db2.gz ZKAJFOMQSRHHMN-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)CC[C@H]21 ZINC000877744035 590411504 /nfs/dbraw/zinc/41/15/04/590411504.db2.gz ZKAJFOMQSRHHMN-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)CC[C@H]21 ZINC000877744035 590411506 /nfs/dbraw/zinc/41/15/06/590411506.db2.gz ZKAJFOMQSRHHMN-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCOC3)CC[C@@H]21 ZINC000877743303 590411512 /nfs/dbraw/zinc/41/15/12/590411512.db2.gz VGTIWNFRRFHHJO-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCOC3)CC[C@@H]21 ZINC000877743303 590411513 /nfs/dbraw/zinc/41/15/13/590411513.db2.gz VGTIWNFRRFHHJO-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCOC3)CC[C@@H]21 ZINC000877743303 590411515 /nfs/dbraw/zinc/41/15/15/590411515.db2.gz VGTIWNFRRFHHJO-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)CC[C@@H]21 ZINC000877743303 590411516 /nfs/dbraw/zinc/41/15/16/590411516.db2.gz VGTIWNFRRFHHJO-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)[C@@H](O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000877959695 590458418 /nfs/dbraw/zinc/45/84/18/590458418.db2.gz RDLQVPFQJRDOGH-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000878513254 590584020 /nfs/dbraw/zinc/58/40/20/590584020.db2.gz YNSZZJIIYHCXKD-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000879320217 590740758 /nfs/dbraw/zinc/74/07/58/590740758.db2.gz DPWBIFKQQQMUKW-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000879320217 590740759 /nfs/dbraw/zinc/74/07/59/590740759.db2.gz DPWBIFKQQQMUKW-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000879320217 590740760 /nfs/dbraw/zinc/74/07/60/590740760.db2.gz DPWBIFKQQQMUKW-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)O)CC[C@H]21 ZINC000879573995 590800084 /nfs/dbraw/zinc/80/00/84/590800084.db2.gz VJZRZARIKPKRBS-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)O)CC[C@H]21 ZINC000879573995 590800087 /nfs/dbraw/zinc/80/00/87/590800087.db2.gz VJZRZARIKPKRBS-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)O)CC[C@H]21 ZINC000879573995 590800089 /nfs/dbraw/zinc/80/00/89/590800089.db2.gz VJZRZARIKPKRBS-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569961 590805380 /nfs/dbraw/zinc/80/53/80/590805380.db2.gz CSCNMJDTYIBYTB-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569961 590805381 /nfs/dbraw/zinc/80/53/81/590805381.db2.gz CSCNMJDTYIBYTB-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569961 590805383 /nfs/dbraw/zinc/80/53/83/590805383.db2.gz CSCNMJDTYIBYTB-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569961 590805385 /nfs/dbraw/zinc/80/53/85/590805385.db2.gz CSCNMJDTYIBYTB-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(F)(F)F)CC[C@H]21 ZINC000879573016 590808903 /nfs/dbraw/zinc/80/89/03/590808903.db2.gz KWYBZPJHXKRLND-NXEZZACHSA-N 2 1 236.281 1.965 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(F)(F)F)CC[C@H]21 ZINC000879573016 590808905 /nfs/dbraw/zinc/80/89/05/590808905.db2.gz KWYBZPJHXKRLND-NXEZZACHSA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@H]21 ZINC000879573016 590808908 /nfs/dbraw/zinc/80/89/08/590808908.db2.gz KWYBZPJHXKRLND-NXEZZACHSA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@H]21 ZINC000879573016 590808910 /nfs/dbraw/zinc/80/89/10/590808910.db2.gz KWYBZPJHXKRLND-NXEZZACHSA-N 2 1 236.281 1.965 20 0 BDADMP COCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879571791 590811664 /nfs/dbraw/zinc/81/16/64/590811664.db2.gz CCOHGODYLZOPPE-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879571791 590811665 /nfs/dbraw/zinc/81/16/65/590811665.db2.gz CCOHGODYLZOPPE-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571791 590811668 /nfs/dbraw/zinc/81/16/68/590811668.db2.gz CCOHGODYLZOPPE-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571791 590811671 /nfs/dbraw/zinc/81/16/71/590811671.db2.gz CCOHGODYLZOPPE-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577841 590812683 /nfs/dbraw/zinc/81/26/83/590812683.db2.gz MXWCKGPUVHOSOI-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577841 590812686 /nfs/dbraw/zinc/81/26/86/590812686.db2.gz MXWCKGPUVHOSOI-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577841 590812689 /nfs/dbraw/zinc/81/26/89/590812689.db2.gz MXWCKGPUVHOSOI-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578950 590817952 /nfs/dbraw/zinc/81/79/52/590817952.db2.gz XIVOOKGLFBTUBB-KBPBESRZSA-N 2 1 248.374 1.218 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578950 590817955 /nfs/dbraw/zinc/81/79/55/590817955.db2.gz XIVOOKGLFBTUBB-KBPBESRZSA-N 2 1 248.374 1.218 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578619 590818407 /nfs/dbraw/zinc/81/84/07/590818407.db2.gz FZHFTUVJLJFSLP-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578619 590818410 /nfs/dbraw/zinc/81/84/10/590818410.db2.gz FZHFTUVJLJFSLP-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578619 590818413 /nfs/dbraw/zinc/81/84/13/590818413.db2.gz FZHFTUVJLJFSLP-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578953 590818476 /nfs/dbraw/zinc/81/84/76/590818476.db2.gz XIVOOKGLFBTUBB-ZIAGYGMSSA-N 2 1 248.374 1.218 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578953 590818479 /nfs/dbraw/zinc/81/84/79/590818479.db2.gz XIVOOKGLFBTUBB-ZIAGYGMSSA-N 2 1 248.374 1.218 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879581294 590820041 /nfs/dbraw/zinc/82/00/41/590820041.db2.gz XULYMWANUNYLQU-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000879581294 590820046 /nfs/dbraw/zinc/82/00/46/590820046.db2.gz XULYMWANUNYLQU-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000879581294 590820048 /nfs/dbraw/zinc/82/00/48/590820048.db2.gz XULYMWANUNYLQU-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOC3CCC3)CC[C@H]21 ZINC000879580568 590821656 /nfs/dbraw/zinc/82/16/56/590821656.db2.gz UDYOADYKAUHKCA-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC3CCC3)CC[C@H]21 ZINC000879580568 590821658 /nfs/dbraw/zinc/82/16/58/590821658.db2.gz UDYOADYKAUHKCA-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC3CCC3)CC[C@H]21 ZINC000879580568 590821660 /nfs/dbraw/zinc/82/16/60/590821660.db2.gz UDYOADYKAUHKCA-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC3CCC3)CC[C@H]21 ZINC000879580568 590821662 /nfs/dbraw/zinc/82/16/62/590821662.db2.gz UDYOADYKAUHKCA-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880131232 590932136 /nfs/dbraw/zinc/93/21/36/590932136.db2.gz RZICWTNAWFOHAK-QWHCGFSZSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)OCCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880131232 590932141 /nfs/dbraw/zinc/93/21/41/590932141.db2.gz RZICWTNAWFOHAK-QWHCGFSZSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)OCCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880131232 590932142 /nfs/dbraw/zinc/93/21/42/590932142.db2.gz RZICWTNAWFOHAK-QWHCGFSZSA-N 2 1 226.364 1.580 20 0 BDADMP COCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260266 590981040 /nfs/dbraw/zinc/98/10/40/590981040.db2.gz OYIVMSISOBAYBC-GFCCVEGCSA-N 2 1 235.331 1.239 20 0 BDADMP Cc1ncnc(NC[C@@H](C)[N@@H+](C)C2CC2)c1C ZINC000881911143 591277787 /nfs/dbraw/zinc/27/77/87/591277787.db2.gz CHDBFDWEVCJWSC-SECBINFHSA-N 2 1 234.347 1.988 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000883424543 591658367 /nfs/dbraw/zinc/65/83/67/591658367.db2.gz WHICXNDDBJOJEA-MROQNXINSA-N 2 1 243.370 1.101 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCc2ncncc2C1 ZINC000883461826 591673821 /nfs/dbraw/zinc/67/38/21/591673821.db2.gz DWXWCIGYNGDMDM-UHFFFAOYSA-N 2 1 234.347 1.354 20 0 BDADMP c1ncc2c(n1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000883461692 591674615 /nfs/dbraw/zinc/67/46/15/591674615.db2.gz BATKZGTUDAQNHY-LBPRGKRZSA-N 2 1 246.358 1.224 20 0 BDADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000134804993 591951364 /nfs/dbraw/zinc/95/13/64/591951364.db2.gz RWGJENANDBRYNR-NEPJUHHUSA-N 2 1 228.405 1.812 20 0 BDADMP CC[N@@H+]1CC[C@@H](CNCc2n[nH]c(C)c2C)C1 ZINC000885924817 592109242 /nfs/dbraw/zinc/10/92/42/592109242.db2.gz VIQORUIBVQEMRH-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@H+]1CC[C@@H](CNCc2n[nH]c(C)c2C)C1 ZINC000885924817 592109243 /nfs/dbraw/zinc/10/92/43/592109243.db2.gz VIQORUIBVQEMRH-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2[nH]nc(C)c2C)C1 ZINC000885924817 592109245 /nfs/dbraw/zinc/10/92/45/592109245.db2.gz VIQORUIBVQEMRH-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2[nH]nc(C)c2C)C1 ZINC000885924817 592109247 /nfs/dbraw/zinc/10/92/47/592109247.db2.gz VIQORUIBVQEMRH-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CCCn1cc(C[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000220324764 592302039 /nfs/dbraw/zinc/30/20/39/592302039.db2.gz NDNLBNJWRICLJB-UHFFFAOYSA-N 2 1 238.379 1.710 20 0 BDADMP CCCn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000220324764 592302044 /nfs/dbraw/zinc/30/20/44/592302044.db2.gz NDNLBNJWRICLJB-UHFFFAOYSA-N 2 1 238.379 1.710 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828236 592350185 /nfs/dbraw/zinc/35/01/85/592350185.db2.gz ZZIWNHOJTBJRLD-YNEHKIRRSA-N 2 1 224.348 1.084 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828234 592351074 /nfs/dbraw/zinc/35/10/74/592351074.db2.gz ZZIWNHOJTBJRLD-RWMBFGLXSA-N 2 1 224.348 1.084 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886832388 592353803 /nfs/dbraw/zinc/35/38/03/592353803.db2.gz HRHFIUUQCLNBDP-LOWDOPEQSA-N 2 1 224.348 1.082 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1C[C@@]12CCOC2 ZINC000886841556 592363735 /nfs/dbraw/zinc/36/37/35/592363735.db2.gz OTPWDPAZWAQENS-ZIAGYGMSSA-N 2 1 240.391 1.864 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886860248 592372565 /nfs/dbraw/zinc/37/25/65/592372565.db2.gz XPKGVLIUHWXPCV-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134990 592449531 /nfs/dbraw/zinc/44/95/31/592449531.db2.gz UCHRZVNFXKEILA-CHWSQXEVSA-N 2 1 249.358 1.221 20 0 BDADMP C[N@H+]1CCC[C@@H]1CNC(=O)CCCCCC[NH3+] ZINC000224046797 592550488 /nfs/dbraw/zinc/55/04/88/592550488.db2.gz MVTSJBUEWLYBFZ-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@@H]([NH3+])[C@@H](NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703436 634381296 /nfs/dbraw/zinc/38/12/96/634381296.db2.gz USESVCMEQZMAAI-TZMCWYRMSA-N 2 1 247.386 1.794 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703436 634381305 /nfs/dbraw/zinc/38/13/05/634381305.db2.gz USESVCMEQZMAAI-TZMCWYRMSA-N 3 1 247.386 1.794 20 0 BDADMP F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246086598 987385176 /nfs/dbraw/zinc/38/51/76/987385176.db2.gz DSOBNPYSNOXNAR-GMTAPVOTSA-N 2 1 200.301 1.609 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001577044132 993486212 /nfs/dbraw/zinc/48/62/12/993486212.db2.gz OZOBNUHEZSCTTA-LPEHRKFASA-N 2 1 238.322 1.356 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925712323 634412415 /nfs/dbraw/zinc/41/24/15/634412415.db2.gz ORHPXEARSJQKKC-GUBZILKMSA-N 2 1 214.378 1.611 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313140425 634454359 /nfs/dbraw/zinc/45/43/59/634454359.db2.gz QKWPVRNTPZZPLO-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257709464 634477459 /nfs/dbraw/zinc/47/74/59/634477459.db2.gz SKEBXAWYBSXQBM-OLZOCXBDSA-N 2 1 240.416 1.958 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257709464 634477462 /nfs/dbraw/zinc/47/74/62/634477462.db2.gz SKEBXAWYBSXQBM-OLZOCXBDSA-N 2 1 240.416 1.958 20 0 BDADMP CC[C@H](C(N)=O)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335570319 634492764 /nfs/dbraw/zinc/49/27/64/634492764.db2.gz RKONCDYMQDBMOO-SNVBAGLBSA-N 2 1 225.336 1.376 20 0 BDADMP CC(C)[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000257767674 634495201 /nfs/dbraw/zinc/49/52/01/634495201.db2.gz AKGIWXKBIBRKCW-CHWSQXEVSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727989 634527819 /nfs/dbraw/zinc/52/78/19/634527819.db2.gz RTNKCPZLAWUPGK-PDWCTOEPSA-N 3 1 237.391 1.247 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000125543053 634538579 /nfs/dbraw/zinc/53/85/79/634538579.db2.gz AAHFIDQAFHTUAZ-CYBMUJFWSA-N 2 1 234.343 1.736 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CC[NH2+]CC1 ZINC000925730241 634554080 /nfs/dbraw/zinc/55/40/80/634554080.db2.gz VDQBRIGLPZNCIK-GVXVVHGQSA-N 3 1 225.380 1.105 20 0 BDADMP COCCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062868058 635465040 /nfs/dbraw/zinc/46/50/40/635465040.db2.gz YYAUKVJXEXYGBW-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP C[C@]1(C[N@H+]2CCCOCC2)CCC[NH2+]C1 ZINC000062868028 635465106 /nfs/dbraw/zinc/46/51/06/635465106.db2.gz ICQFFKFSQQMVJP-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000232121507 635510820 /nfs/dbraw/zinc/51/08/20/635510820.db2.gz IMCIFNMUINIZEX-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000925877949 635601228 /nfs/dbraw/zinc/60/12/28/635601228.db2.gz ZNJQHOXJUUXDNW-RFQIPJPRSA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000925877949 635601233 /nfs/dbraw/zinc/60/12/33/635601233.db2.gz ZNJQHOXJUUXDNW-RFQIPJPRSA-N 2 1 239.407 1.434 20 0 BDADMP CC[NH+](CC)CCCNc1nccn2c[nH+]cc12 ZINC000891435222 631245890 /nfs/dbraw/zinc/24/58/90/631245890.db2.gz ZHXVTXDJCXXDRP-UHFFFAOYSA-N 2 1 247.346 1.873 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000082560965 631407097 /nfs/dbraw/zinc/40/70/97/631407097.db2.gz CHVIQIIIMGPICZ-AGIUHOORSA-N 2 1 226.364 1.200 20 0 BDADMP CC[N@H+](CC(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309060196 631834640 /nfs/dbraw/zinc/83/46/40/631834640.db2.gz XYHFPAYNLPXJMV-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309060196 631834646 /nfs/dbraw/zinc/83/46/46/631834646.db2.gz XYHFPAYNLPXJMV-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309060205 631835022 /nfs/dbraw/zinc/83/50/22/631835022.db2.gz YEBYONLSHZEQHI-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309060205 631835025 /nfs/dbraw/zinc/83/50/25/631835025.db2.gz YEBYONLSHZEQHI-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309060179 631835150 /nfs/dbraw/zinc/83/51/50/631835150.db2.gz XIZFDLMKCJJTLR-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]1C ZINC000309095372 631880004 /nfs/dbraw/zinc/88/00/04/631880004.db2.gz CPIBMUYDALNUGU-ZYHUDNBSSA-N 2 1 207.321 1.970 20 0 BDADMP CSCCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309139683 631909503 /nfs/dbraw/zinc/90/95/03/631909503.db2.gz XLIPIVGIFOFFRG-GFCCVEGCSA-N 2 1 246.420 1.128 20 0 BDADMP CSCCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309139683 631909509 /nfs/dbraw/zinc/90/95/09/631909509.db2.gz XLIPIVGIFOFFRG-GFCCVEGCSA-N 2 1 246.420 1.128 20 0 BDADMP OCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309251973 631983220 /nfs/dbraw/zinc/98/32/20/631983220.db2.gz FFHAXUJTUWOQAV-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP c1csc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000309286366 631991577 /nfs/dbraw/zinc/99/15/77/631991577.db2.gz OUHKAIWGAXBPGK-AAEUAGOBSA-N 2 1 236.384 1.974 20 0 BDADMP COCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000051919226 632012162 /nfs/dbraw/zinc/01/21/62/632012162.db2.gz AADITROCXIFGGD-AWEZNQCLSA-N 2 1 242.407 1.981 20 0 BDADMP C[C@@]1(C[NH3+])CCN(c2cc[nH+]cc2Cl)C1 ZINC000235441271 632039087 /nfs/dbraw/zinc/03/90/87/632039087.db2.gz PFCYONJWPKCYSU-NSHDSACASA-N 2 1 225.723 1.910 20 0 BDADMP CC(C)NC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000052041117 632052593 /nfs/dbraw/zinc/05/25/93/632052593.db2.gz VGKCLHQROZOKDJ-LBPRGKRZSA-N 2 1 240.395 1.773 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000926450410 632068131 /nfs/dbraw/zinc/06/81/31/632068131.db2.gz MKNUWUZBHLGXJD-BBGACYKPSA-N 2 1 249.358 1.528 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)CC[N@H+]1C ZINC000252181040 635708892 /nfs/dbraw/zinc/70/88/92/635708892.db2.gz SWWBMZWMMBPRSN-FRRDWIJNSA-N 2 1 224.348 1.751 20 0 BDADMP CC1=CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000894218904 635753153 /nfs/dbraw/zinc/75/31/53/635753153.db2.gz BKQABOPHGKTPPJ-UHFFFAOYSA-N 2 1 208.349 1.980 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250354586 632541587 /nfs/dbraw/zinc/54/15/87/632541587.db2.gz RXUXWUGHCRYSTH-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250354586 632541592 /nfs/dbraw/zinc/54/15/92/632541592.db2.gz RXUXWUGHCRYSTH-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089144546 632657813 /nfs/dbraw/zinc/65/78/13/632657813.db2.gz PCDXNGMZHSFLMM-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089144546 632657815 /nfs/dbraw/zinc/65/78/15/632657815.db2.gz PCDXNGMZHSFLMM-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089144546 632657819 /nfs/dbraw/zinc/65/78/19/632657819.db2.gz PCDXNGMZHSFLMM-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000310369586 632736013 /nfs/dbraw/zinc/73/60/13/632736013.db2.gz NGJSZPRCFJYIMS-ZIAGYGMSSA-N 2 1 234.343 1.391 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156104945 632876521 /nfs/dbraw/zinc/87/65/21/632876521.db2.gz KHYQOQVFFNIPMR-QJPTWQEYSA-N 2 1 242.363 1.210 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156104945 632876527 /nfs/dbraw/zinc/87/65/27/632876527.db2.gz KHYQOQVFFNIPMR-QJPTWQEYSA-N 2 1 242.363 1.210 20 0 BDADMP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000924574823 632941847 /nfs/dbraw/zinc/94/18/47/632941847.db2.gz GCESBBMEFFGGKV-ZIAGYGMSSA-N 2 1 240.391 1.731 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000299992753 635894571 /nfs/dbraw/zinc/89/45/71/635894571.db2.gz BXBLLXDPOIYWBL-CHWSQXEVSA-N 2 1 226.364 1.351 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000299992753 635894573 /nfs/dbraw/zinc/89/45/73/635894573.db2.gz BXBLLXDPOIYWBL-CHWSQXEVSA-N 2 1 226.364 1.351 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(c2nc(N)cc(C)[nH+]2)C1 ZINC000892730054 633205349 /nfs/dbraw/zinc/20/53/49/633205349.db2.gz CZSZHVCDDZPLOH-LLVKDONJSA-N 2 1 249.362 1.145 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(c2nc(N)cc(C)[nH+]2)C1 ZINC000892730057 633205771 /nfs/dbraw/zinc/20/57/71/633205771.db2.gz CZSZHVCDDZPLOH-NSHDSACASA-N 2 1 249.362 1.145 20 0 BDADMP CCCCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310253827 636005957 /nfs/dbraw/zinc/00/59/57/636005957.db2.gz OTFWIFNAVQSWGR-AWEZNQCLSA-N 2 1 239.407 1.546 20 0 BDADMP C[C@H]1CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000309784866 633735456 /nfs/dbraw/zinc/73/54/56/633735456.db2.gz NTYAUNMQWNGNDE-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000925538580 633945070 /nfs/dbraw/zinc/94/50/70/633945070.db2.gz VGZCSPOLYJHBPH-OCCSQVGLSA-N 2 1 249.402 1.345 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000309953706 634049713 /nfs/dbraw/zinc/04/97/13/634049713.db2.gz HHRUOYVZBOIBPN-NWDGAFQWSA-N 2 1 222.336 1.372 20 0 BDADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309983954 634058738 /nfs/dbraw/zinc/05/87/38/634058738.db2.gz YARCZRZJEUPNAY-MCIONIFRSA-N 2 1 240.391 1.706 20 0 BDADMP CCOC1CC(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925649148 634207015 /nfs/dbraw/zinc/20/70/15/634207015.db2.gz HUNHQINNTOYDLU-RYSNWHEDSA-N 2 1 240.391 1.922 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+]C1(C)C ZINC000925676478 634265444 /nfs/dbraw/zinc/26/54/44/634265444.db2.gz MIDDNORGERTOGV-OLZOCXBDSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925682024 634285485 /nfs/dbraw/zinc/28/54/85/634285485.db2.gz RZUIYDZOGRAMET-NEPJUHHUSA-N 2 1 240.391 1.800 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000925683347 634286843 /nfs/dbraw/zinc/28/68/43/634286843.db2.gz PDDLHIHLBMMUPK-NEPJUHHUSA-N 2 1 244.354 1.483 20 0 BDADMP CC(C)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310087669 634292105 /nfs/dbraw/zinc/29/21/05/634292105.db2.gz HRANCJWKCRQBML-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310087669 634292107 /nfs/dbraw/zinc/29/21/07/634292107.db2.gz HRANCJWKCRQBML-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1NCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000925686977 634302705 /nfs/dbraw/zinc/30/27/05/634302705.db2.gz YAGYTWSUVNGZRK-IHRRRGAJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000925686977 634302709 /nfs/dbraw/zinc/30/27/09/634302709.db2.gz YAGYTWSUVNGZRK-IHRRRGAJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000925686977 634302713 /nfs/dbraw/zinc/30/27/13/634302713.db2.gz YAGYTWSUVNGZRK-IHRRRGAJSA-N 3 1 239.407 1.448 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](CCc3cn[nH]c3)C[C@]2(C)C1 ZINC000931314401 634331380 /nfs/dbraw/zinc/33/13/80/634331380.db2.gz NYVFYHLRJAOCRI-OKILXGFUSA-N 2 1 248.374 1.226 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](CCc3cn[nH]c3)C[C@]2(C)C1 ZINC000931314401 634331385 /nfs/dbraw/zinc/33/13/85/634331385.db2.gz NYVFYHLRJAOCRI-OKILXGFUSA-N 2 1 248.374 1.226 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](CCc3cn[nH]c3)C[C@]2(C)C1 ZINC000931314401 634331391 /nfs/dbraw/zinc/33/13/91/634331391.db2.gz NYVFYHLRJAOCRI-OKILXGFUSA-N 2 1 248.374 1.226 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](CCc3cn[nH]c3)C[C@]2(C)C1 ZINC000931314401 634331397 /nfs/dbraw/zinc/33/13/97/634331397.db2.gz NYVFYHLRJAOCRI-OKILXGFUSA-N 2 1 248.374 1.226 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925697992 634361930 /nfs/dbraw/zinc/36/19/30/634361930.db2.gz BSGBBRGRXHBLMI-IJLUTSLNSA-N 2 1 225.380 1.363 20 0 BDADMP C[C@H]([NH3+])[C@@H](NCC(F)(F)C[NH3+])c1ccccc1 ZINC000925698686 634364108 /nfs/dbraw/zinc/36/41/08/634364108.db2.gz LSANWRPGHATRAW-GXSJLCMTSA-N 2 1 243.301 1.259 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698962 634365888 /nfs/dbraw/zinc/36/58/88/634365888.db2.gz MCCATCNBDCUFAB-VWYCJHECSA-N 3 1 213.369 1.077 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NCC1(C)CC[NH2+]CC1 ZINC000925699343 634366009 /nfs/dbraw/zinc/36/60/09/634366009.db2.gz OGGSQPIBRJJBJN-LLVKDONJSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925700328 634369096 /nfs/dbraw/zinc/36/90/96/634369096.db2.gz RURFPPLQABIQKQ-NWDGAFQWSA-N 3 1 225.380 1.106 20 0 BDADMP C[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925701437 634375188 /nfs/dbraw/zinc/37/51/88/634375188.db2.gz ZMGAMRMLHGZKHK-FDYHWXHSSA-N 2 1 226.364 1.389 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925701882 634375791 /nfs/dbraw/zinc/37/57/91/634375791.db2.gz HNPXEBAEPNNNBU-UPJWGTAASA-N 2 1 238.375 1.818 20 0 BDADMP C[N@@H+](C[C@@H](O)c1ccccc1)CC(C)(C)C[NH3+] ZINC000093874339 635133242 /nfs/dbraw/zinc/13/32/42/635133242.db2.gz GCGHGOXXDATGSS-CYBMUJFWSA-N 2 1 236.359 1.637 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000259195248 635250894 /nfs/dbraw/zinc/25/08/94/635250894.db2.gz WEISHKCEOBKAIR-UHFFFAOYSA-N 2 1 234.299 1.039 20 0 BDADMP CN(C)c1ccnc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000925813491 635374642 /nfs/dbraw/zinc/37/46/42/635374642.db2.gz UIMMVJVNXVIIIO-SMDDNHRTSA-N 2 1 248.374 1.365 20 0 BDADMP CN(C)c1ccnc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925813488 635374735 /nfs/dbraw/zinc/37/47/35/635374735.db2.gz UIMMVJVNXVIIIO-BXUZGUMPSA-N 2 1 248.374 1.365 20 0 BDADMP Cn1nc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1C1CC1 ZINC000925873247 635590590 /nfs/dbraw/zinc/59/05/90/635590590.db2.gz HDHISHAZFOVFGM-WCQYABFASA-N 2 1 248.374 1.515 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925891692 635617656 /nfs/dbraw/zinc/61/76/56/635617656.db2.gz WXNGOYMHPCQAPL-NSHDSACASA-N 2 1 237.347 1.777 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C(C)(C)CO ZINC000924874507 635687358 /nfs/dbraw/zinc/68/73/58/635687358.db2.gz SNCBTXPNIVGMNS-JTQLQIEISA-N 2 1 225.336 1.188 20 0 BDADMP Cc1cccc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)[nH+]1 ZINC000896914346 636256411 /nfs/dbraw/zinc/25/64/11/636256411.db2.gz AZPXSRJOVFKKBX-OCCSQVGLSA-N 2 1 231.343 1.778 20 0 BDADMP Cc1cccc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)[nH+]1 ZINC000896914346 636256417 /nfs/dbraw/zinc/25/64/17/636256417.db2.gz AZPXSRJOVFKKBX-OCCSQVGLSA-N 2 1 231.343 1.778 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233922399 636626200 /nfs/dbraw/zinc/62/62/00/636626200.db2.gz NQOSSNKQFRMFJO-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP C[NH+]1CCC(CN2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250615257 636753452 /nfs/dbraw/zinc/75/34/52/636753452.db2.gz NUCIEAGIRDMPPP-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000897621715 636828627 /nfs/dbraw/zinc/82/86/27/636828627.db2.gz PHBADXUNCAKDQJ-KGLIPLIRSA-N 2 1 233.359 1.409 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000897621715 636828632 /nfs/dbraw/zinc/82/86/32/636828632.db2.gz PHBADXUNCAKDQJ-KGLIPLIRSA-N 2 1 233.359 1.409 20 0 BDADMP Cn1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000897621715 636828635 /nfs/dbraw/zinc/82/86/35/636828635.db2.gz PHBADXUNCAKDQJ-KGLIPLIRSA-N 2 1 233.359 1.409 20 0 BDADMP Cn1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000897621715 636828642 /nfs/dbraw/zinc/82/86/42/636828642.db2.gz PHBADXUNCAKDQJ-KGLIPLIRSA-N 2 1 233.359 1.409 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC(CCO)C2)CC[N@@H+]1C ZINC000898009940 636850291 /nfs/dbraw/zinc/85/02/91/636850291.db2.gz CBOFZMRQGOKCJF-IGJPJIBNSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC(CCO)C2)CC[N@H+]1C ZINC000898009940 636850293 /nfs/dbraw/zinc/85/02/93/636850293.db2.gz CBOFZMRQGOKCJF-IGJPJIBNSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(CCO)C2)[C@H](C)C1 ZINC000898010411 636852381 /nfs/dbraw/zinc/85/23/81/636852381.db2.gz GDESALSWIMXMDM-RYSNWHEDSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000086884439 636889453 /nfs/dbraw/zinc/88/94/53/636889453.db2.gz HGVGXSSHDHLWKI-LDYMZIIASA-N 2 1 239.388 1.929 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000086884439 636889458 /nfs/dbraw/zinc/88/94/58/636889458.db2.gz HGVGXSSHDHLWKI-LDYMZIIASA-N 2 1 239.388 1.929 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000866704329 636934427 /nfs/dbraw/zinc/93/44/27/636934427.db2.gz SSVYOGQFPQVMEW-RYUDHWBXSA-N 2 1 226.364 1.079 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)C(C)(C)OC)C[NH+](C)C ZINC000926957428 636970312 /nfs/dbraw/zinc/97/03/12/636970312.db2.gz BNGFUXKDRJKAQD-NWDGAFQWSA-N 2 1 246.395 1.356 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924704277 637012974 /nfs/dbraw/zinc/01/29/74/637012974.db2.gz CLUPMFQMOFNFNM-VXGBXAGGSA-N 2 1 234.347 1.469 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924704277 637012980 /nfs/dbraw/zinc/01/29/80/637012980.db2.gz CLUPMFQMOFNFNM-VXGBXAGGSA-N 2 1 234.347 1.469 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000924717982 637030684 /nfs/dbraw/zinc/03/06/84/637030684.db2.gz OGHPQNSTYINDAM-WVWOOGAGSA-N 2 1 240.391 1.587 20 0 BDADMP Cc1ccccc1C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000042435965 637246120 /nfs/dbraw/zinc/24/61/20/637246120.db2.gz RKSIYBYAHHWJLS-UHFFFAOYSA-N 2 1 248.370 1.935 20 0 BDADMP Cc1ccccc1C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000042435965 637246128 /nfs/dbraw/zinc/24/61/28/637246128.db2.gz RKSIYBYAHHWJLS-UHFFFAOYSA-N 2 1 248.370 1.935 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903437064 637360611 /nfs/dbraw/zinc/36/06/11/637360611.db2.gz CRPLIFVCNRRYRO-MCIONIFRSA-N 2 1 240.391 1.590 20 0 BDADMP C[N@@H+](CCCn1ccnc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461466 637362340 /nfs/dbraw/zinc/36/23/40/637362340.db2.gz UUQFHKVACIBTCL-OLZOCXBDSA-N 2 1 236.363 1.332 20 0 BDADMP C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463592 637364130 /nfs/dbraw/zinc/36/41/30/637364130.db2.gz GEXPWAMAQGOXTG-YIYPIFLZSA-N 2 1 240.391 1.597 20 0 BDADMP CCCC[N@@H+](CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903718591 637377116 /nfs/dbraw/zinc/37/71/16/637377116.db2.gz PHCXJHKCYSHXAV-CYBMUJFWSA-N 2 1 228.380 1.471 20 0 BDADMP CC(C)C[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724950 637378603 /nfs/dbraw/zinc/37/86/03/637378603.db2.gz SWIHNUBTRQBHDQ-CYBMUJFWSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722632 637378759 /nfs/dbraw/zinc/37/87/59/637378759.db2.gz BZNHIEZUUHRHLZ-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)C ZINC000903721438 637379252 /nfs/dbraw/zinc/37/92/52/637379252.db2.gz AHPATWDKRAZGMH-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724888 637379501 /nfs/dbraw/zinc/37/95/01/637379501.db2.gz RZIWTJQCDOUZMC-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721807 637380085 /nfs/dbraw/zinc/38/00/85/637380085.db2.gz FICFPJYMPAXXSB-KBPBESRZSA-N 2 1 238.375 1.628 20 0 BDADMP COC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904429289 637398505 /nfs/dbraw/zinc/39/85/05/637398505.db2.gz CBAGXVMSYRCZIE-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904429289 637398514 /nfs/dbraw/zinc/39/85/14/637398514.db2.gz CBAGXVMSYRCZIE-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+]C1(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000904450338 637416291 /nfs/dbraw/zinc/41/62/91/637416291.db2.gz SAULVXLLCRGNCF-DAXSKMNVSA-N 2 1 202.301 1.781 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3cccnc32)CC1 ZINC000904451145 637416504 /nfs/dbraw/zinc/41/65/04/637416504.db2.gz WNDCLSCQNKQHFZ-UHFFFAOYSA-N 2 1 227.311 1.816 20 0 BDADMP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(F)F ZINC000905058433 637590464 /nfs/dbraw/zinc/59/04/64/637590464.db2.gz GPHXDACETQVGPX-JOYOIKCWSA-N 2 1 248.317 1.076 20 0 BDADMP [NH3+]C1(c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)CC1 ZINC000905315935 637742797 /nfs/dbraw/zinc/74/27/97/637742797.db2.gz ZTQOQYMSPOLHCQ-AEJSXWLSSA-N 2 1 248.330 1.611 20 0 BDADMP CC(C)[C@@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905316054 637744516 /nfs/dbraw/zinc/74/45/16/637744516.db2.gz ZUSCFPOHMPASIK-LLVKDONJSA-N 2 1 238.335 1.268 20 0 BDADMP C[C@@H]([NH3+])c1ccc(-c2nc(C3([NH3+])CC3)no2)cc1 ZINC000905328117 637760906 /nfs/dbraw/zinc/76/09/06/637760906.db2.gz VYCFWALFINAXSM-MRVPVSSYSA-N 2 1 244.298 1.704 20 0 BDADMP CC[C@@H]([NH2+]C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905309576 637765944 /nfs/dbraw/zinc/76/59/44/637765944.db2.gz YXCUIAAJQWAZTC-SNVBAGLBSA-N 2 1 238.335 1.282 20 0 BDADMP CC(C)[C@@H]([NH3+])C(C)(C)c1nc(C2([NH3+])CC2)no1 ZINC000905331302 637781115 /nfs/dbraw/zinc/78/11/15/637781115.db2.gz OLFKHLPRQULSKF-MRVPVSSYSA-N 2 1 238.335 1.278 20 0 BDADMP CC(C)Cc1ncc(C[NH2+]C2CC([NH3+])C2)s1 ZINC000906510075 638184507 /nfs/dbraw/zinc/18/45/07/638184507.db2.gz MGUQEWHQFXQZTE-UHFFFAOYSA-N 2 1 239.388 1.921 20 0 BDADMP Cc1cc(C[NH2+]C2CC([NH3+])C2)cnc1Cl ZINC000906510182 638184709 /nfs/dbraw/zinc/18/47/09/638184709.db2.gz QAPNRLPMSIMFAA-UHFFFAOYSA-N 2 1 225.723 1.623 20 0 BDADMP CCc1cccc(F)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906517551 638187105 /nfs/dbraw/zinc/18/71/05/638187105.db2.gz GYNQWWMONHAHMS-XYPYZODXSA-N 2 1 222.307 1.967 20 0 BDADMP CCCC[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000906528001 638192642 /nfs/dbraw/zinc/19/26/42/638192642.db2.gz QZQUTYCQUSUYJL-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP C[C@@H](C1CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076042 640059101 /nfs/dbraw/zinc/05/91/01/640059101.db2.gz MWLNFGIUDMBZGI-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21 ZINC000931275985 640124095 /nfs/dbraw/zinc/12/40/95/640124095.db2.gz CRIQZGIMRFHUKX-NNYUYHANSA-N 2 1 244.329 1.914 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21 ZINC000931275985 640124105 /nfs/dbraw/zinc/12/41/05/640124105.db2.gz CRIQZGIMRFHUKX-NNYUYHANSA-N 2 1 244.329 1.914 20 0 BDADMP COC1(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCC1 ZINC000931276803 640125925 /nfs/dbraw/zinc/12/59/25/640125925.db2.gz DUQJBHUDCNIAMJ-ITGUQSILSA-N 2 1 238.375 1.437 20 0 BDADMP COC1(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCC1 ZINC000931276803 640125931 /nfs/dbraw/zinc/12/59/31/640125931.db2.gz DUQJBHUDCNIAMJ-ITGUQSILSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]21 ZINC000931281359 640132997 /nfs/dbraw/zinc/13/29/97/640132997.db2.gz RJFBKKSILILOCL-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]21 ZINC000931281359 640133002 /nfs/dbraw/zinc/13/30/02/640133002.db2.gz RJFBKKSILILOCL-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP COCC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931306586 640143014 /nfs/dbraw/zinc/14/30/14/640143014.db2.gz BGBJCIUVIXMAES-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931306586 640143019 /nfs/dbraw/zinc/14/30/19/640143019.db2.gz BGBJCIUVIXMAES-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP COCC[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931306586 640143024 /nfs/dbraw/zinc/14/30/24/640143024.db2.gz BGBJCIUVIXMAES-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP COCC[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931306586 640143031 /nfs/dbraw/zinc/14/30/31/640143031.db2.gz BGBJCIUVIXMAES-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2CCC(C)([NH+](C)C)CC2)O1 ZINC000931353923 640167981 /nfs/dbraw/zinc/16/79/81/640167981.db2.gz HBHFHWYPVRQCGS-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431790 640199169 /nfs/dbraw/zinc/19/91/69/640199169.db2.gz ORLJTPLSKXRSPQ-QWHCGFSZSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431790 640199174 /nfs/dbraw/zinc/19/91/74/640199174.db2.gz ORLJTPLSKXRSPQ-QWHCGFSZSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431790 640199177 /nfs/dbraw/zinc/19/91/77/640199177.db2.gz ORLJTPLSKXRSPQ-QWHCGFSZSA-N 2 1 210.365 1.916 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC000931431631 640199298 /nfs/dbraw/zinc/19/92/98/640199298.db2.gz CYKITESZBIJWKY-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC000931431631 640199300 /nfs/dbraw/zinc/19/93/00/640199300.db2.gz CYKITESZBIJWKY-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC000931431631 640199302 /nfs/dbraw/zinc/19/93/02/640199302.db2.gz CYKITESZBIJWKY-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccn3)C[C@@H]2C1 ZINC000931432682 640200345 /nfs/dbraw/zinc/20/03/45/640200345.db2.gz ZSTKPIJNSIAXFR-KGLIPLIRSA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccn3)C[C@@H]2C1 ZINC000931432682 640200351 /nfs/dbraw/zinc/20/03/51/640200351.db2.gz ZSTKPIJNSIAXFR-KGLIPLIRSA-N 2 1 245.370 1.508 20 0 BDADMP Cc1nc(C)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)o1 ZINC000931439262 640200982 /nfs/dbraw/zinc/20/09/82/640200982.db2.gz SESADULTVQBKNQ-OLZOCXBDSA-N 2 1 249.358 1.675 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC000931439262 640200984 /nfs/dbraw/zinc/20/09/84/640200984.db2.gz SESADULTVQBKNQ-OLZOCXBDSA-N 2 1 249.358 1.675 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC000931439262 640200990 /nfs/dbraw/zinc/20/09/90/640200990.db2.gz SESADULTVQBKNQ-OLZOCXBDSA-N 2 1 249.358 1.675 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccn1 ZINC000931441241 640208456 /nfs/dbraw/zinc/20/84/56/640208456.db2.gz FGKVRYWCKYBDDZ-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccn1 ZINC000931441241 640208461 /nfs/dbraw/zinc/20/84/61/640208461.db2.gz FGKVRYWCKYBDDZ-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccn1 ZINC000931441241 640208467 /nfs/dbraw/zinc/20/84/67/640208467.db2.gz FGKVRYWCKYBDDZ-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CC[NH+]3CCCC3)CC[C@@H]21 ZINC000931548267 640267690 /nfs/dbraw/zinc/26/76/90/640267690.db2.gz XIRXQWCKUWKYHG-KBPBESRZSA-N 2 1 237.391 1.108 20 0 BDADMP CCOCCC[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931725010 640340422 /nfs/dbraw/zinc/34/04/22/640340422.db2.gz RMVLGIIWHPKXJL-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000221676695 640416232 /nfs/dbraw/zinc/41/62/32/640416232.db2.gz YHQWGCWIOIVIAX-JTQLQIEISA-N 2 1 247.346 1.263 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCO[C@@H](C)CC1 ZINC000932339658 640483405 /nfs/dbraw/zinc/48/34/05/640483405.db2.gz YWFNDOFKPDPHHL-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCO[C@@H](C)CC1 ZINC000932339658 640483410 /nfs/dbraw/zinc/48/34/10/640483410.db2.gz YWFNDOFKPDPHHL-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C=C/C=C\CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000713501170 711491453 /nfs/dbraw/zinc/49/14/53/711491453.db2.gz FSIPYTABMPDKBD-ZFDPJTLLSA-N 2 1 224.348 1.163 20 0 BDADMP C=C/C=C\CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000713501170 711491456 /nfs/dbraw/zinc/49/14/56/711491456.db2.gz FSIPYTABMPDKBD-ZFDPJTLLSA-N 2 1 224.348 1.163 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000933734407 640755489 /nfs/dbraw/zinc/75/54/89/640755489.db2.gz PMMVAEJCQNLDEJ-KHMAMNHCSA-N 2 1 234.387 1.916 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000933734407 640755498 /nfs/dbraw/zinc/75/54/98/640755498.db2.gz PMMVAEJCQNLDEJ-KHMAMNHCSA-N 2 1 234.387 1.916 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@]2(C)C1 ZINC000933734407 640755505 /nfs/dbraw/zinc/75/55/05/640755505.db2.gz PMMVAEJCQNLDEJ-KHMAMNHCSA-N 2 1 234.387 1.916 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCCC3)C[C@]2(C)C1 ZINC000933736244 640757540 /nfs/dbraw/zinc/75/75/40/640757540.db2.gz UVVKPSXYTUKIMT-YPMHNXCESA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C3CCCC3)C[C@]2(C)C1 ZINC000933736244 640757547 /nfs/dbraw/zinc/75/75/47/640757547.db2.gz UVVKPSXYTUKIMT-YPMHNXCESA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCCC3)C[C@]2(C)C1 ZINC000933736244 640757551 /nfs/dbraw/zinc/75/75/51/640757551.db2.gz UVVKPSXYTUKIMT-YPMHNXCESA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C3CCCC3)C[C@]2(C)C1 ZINC000933736244 640757557 /nfs/dbraw/zinc/75/75/57/640757557.db2.gz UVVKPSXYTUKIMT-YPMHNXCESA-N 2 1 208.349 1.813 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226540779 640774007 /nfs/dbraw/zinc/77/40/07/640774007.db2.gz KXTHJEVRMWPTET-NWDGAFQWSA-N 2 1 214.353 1.208 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)O1 ZINC000227065644 640813299 /nfs/dbraw/zinc/81/32/99/640813299.db2.gz UUZLDKVZQWIUJM-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000227072431 640814137 /nfs/dbraw/zinc/81/41/37/640814137.db2.gz UFJSFHSBECHLDI-FPMFFAJLSA-N 2 1 234.343 1.389 20 0 BDADMP Cn1cc(CC[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000230774829 641094049 /nfs/dbraw/zinc/09/40/49/641094049.db2.gz IJZGXGRXAAFFIR-LBPRGKRZSA-N 2 1 236.363 1.023 20 0 BDADMP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)no1 ZINC000063200561 641145153 /nfs/dbraw/zinc/14/51/53/641145153.db2.gz IXALSJZBIBCPLP-CQSZACIVSA-N 2 1 249.358 1.947 20 0 BDADMP Cn1cc(CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000231669696 641193076 /nfs/dbraw/zinc/19/30/76/641193076.db2.gz FMAFRVBZBRZUQA-CYBMUJFWSA-N 2 1 236.363 1.037 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148829 641248926 /nfs/dbraw/zinc/24/89/26/641248926.db2.gz MLKGWJCMEIYFBK-YUTCNCBUSA-N 2 1 240.391 1.597 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148412 641249640 /nfs/dbraw/zinc/24/96/40/641249640.db2.gz MTADJXULERDSCG-STQMWFEESA-N 2 1 226.364 1.208 20 0 BDADMP COC/C(C)=C\C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929783564 641547061 /nfs/dbraw/zinc/54/70/61/641547061.db2.gz UIEUHLKJLUJYRB-PJWHXWNJSA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C\C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929783564 641547066 /nfs/dbraw/zinc/54/70/66/641547066.db2.gz UIEUHLKJLUJYRB-PJWHXWNJSA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C\C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929783564 641547071 /nfs/dbraw/zinc/54/70/71/641547071.db2.gz UIEUHLKJLUJYRB-PJWHXWNJSA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C\C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929783564 641547076 /nfs/dbraw/zinc/54/70/76/641547076.db2.gz UIEUHLKJLUJYRB-PJWHXWNJSA-N 2 1 240.391 1.994 20 0 BDADMP CC[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042468761 641552012 /nfs/dbraw/zinc/55/20/12/641552012.db2.gz UGWIOPVDXPUDQV-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCSC(F)(F)F)C1 ZINC000123637933 641873727 /nfs/dbraw/zinc/87/37/27/641873727.db2.gz VQYDOAGWNZVUKO-SFYZADRCSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCSC(F)(F)F)C1 ZINC000123637933 641873728 /nfs/dbraw/zinc/87/37/28/641873728.db2.gz VQYDOAGWNZVUKO-SFYZADRCSA-N 2 1 242.310 1.909 20 0 BDADMP Cc1[nH]c(CSCC[NH+](C)C)c(C)[nH+]1 ZINC000917193533 642028725 /nfs/dbraw/zinc/02/87/25/642028725.db2.gz HTRGULCNMVYZAV-UHFFFAOYSA-N 2 1 213.350 1.821 20 0 BDADMP C[N@@H+](CCNC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000234296860 642427226 /nfs/dbraw/zinc/42/72/26/642427226.db2.gz FFBADGIKTCPXQP-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000891401490 642472316 /nfs/dbraw/zinc/47/23/16/642472316.db2.gz XSQAEZPGXKRGLX-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000252765248 643111032 /nfs/dbraw/zinc/11/10/32/643111032.db2.gz FSGVHGZVTFPSMO-BPNCWPANSA-N 2 1 231.343 1.425 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000082602401 643352575 /nfs/dbraw/zinc/35/25/75/643352575.db2.gz GPKLUXYQXOAJEU-LLVKDONJSA-N 2 1 224.373 1.961 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000082862873 643387096 /nfs/dbraw/zinc/38/70/96/643387096.db2.gz ZXOCGVKHHBLKFP-JGVFFNPUSA-N 2 1 210.243 1.656 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234064823 643393987 /nfs/dbraw/zinc/39/39/87/643393987.db2.gz NQOSSNKQFRMFJO-AGIUHOORSA-N 2 1 210.365 1.964 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921522409 643582247 /nfs/dbraw/zinc/58/22/47/643582247.db2.gz QHLJVOKLPLXTDD-UHFFFAOYSA-N 2 1 237.347 1.607 20 0 BDADMP CC[NH+](CC)CCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000772140370 643644521 /nfs/dbraw/zinc/64/45/21/643644521.db2.gz ABLHSHVIPCEGFI-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CC)CCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000772140370 643644527 /nfs/dbraw/zinc/64/45/27/643644527.db2.gz ABLHSHVIPCEGFI-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP C[C@@H]1CSCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085016057 643678944 /nfs/dbraw/zinc/67/89/44/643678944.db2.gz ZQNWILQGGKNDCP-MXWKQRLJSA-N 2 1 214.378 1.551 20 0 BDADMP CN1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1(C)C ZINC000085015931 643679333 /nfs/dbraw/zinc/67/93/33/643679333.db2.gz NQMZTCROVCVLPV-NEPJUHHUSA-N 2 1 225.380 1.140 20 0 BDADMP CCOCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869986 643823941 /nfs/dbraw/zinc/82/39/41/643823941.db2.gz UJVDZCHUAZMDLA-UHFFFAOYSA-N 2 1 200.326 1.225 20 0 BDADMP CCO[C@@H](C[NH2+]CC1(C)CC1)C[NH+](C)C ZINC000922754042 644086083 /nfs/dbraw/zinc/08/60/83/644086083.db2.gz MAIKCAWUGFAVTF-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP CCO[C@@H](C[NH2+]C1CCCCC1)C[NH+](C)C ZINC000922759646 644089912 /nfs/dbraw/zinc/08/99/12/644089912.db2.gz ITESTBPYZIAEKN-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922820756 644109945 /nfs/dbraw/zinc/10/99/45/644109945.db2.gz JIDJALRDXCYLIM-RDBSUJKOSA-N 2 1 240.391 1.754 20 0 BDADMP Cc1cccc(N(C)CC(C)(C)C[NH3+])[nH+]1 ZINC000086638574 644157333 /nfs/dbraw/zinc/15/73/33/644157333.db2.gz ZSUMQGNHKGRGNB-UHFFFAOYSA-N 2 1 207.321 1.811 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000193718747 644274416 /nfs/dbraw/zinc/27/44/16/644274416.db2.gz XMVDQOFVKXEXMG-ZDUSSCGKSA-N 2 1 224.348 1.705 20 0 BDADMP C(C1CC1)[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000923275794 644309997 /nfs/dbraw/zinc/30/99/97/644309997.db2.gz WWEGXWWNDLVCIN-AWEZNQCLSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000923280557 644315558 /nfs/dbraw/zinc/31/55/58/644315558.db2.gz BOMXGPHNQKFSLG-ZIAGYGMSSA-N 2 1 242.407 1.715 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000923280936 644316211 /nfs/dbraw/zinc/31/62/11/644316211.db2.gz KHKGPZYFMKSRQK-MFKMUULPSA-N 2 1 238.306 1.140 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000923286844 644320537 /nfs/dbraw/zinc/32/05/37/644320537.db2.gz ARGXGGDRKJTYEO-NWANDNLSSA-N 2 1 248.370 1.698 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000923288170 644321630 /nfs/dbraw/zinc/32/16/30/644321630.db2.gz HYRVTMWCNSAPAA-RDBSUJKOSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000923288170 644321635 /nfs/dbraw/zinc/32/16/35/644321635.db2.gz HYRVTMWCNSAPAA-RDBSUJKOSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300081 644325791 /nfs/dbraw/zinc/32/57/91/644325791.db2.gz NQXBTPRJXNFACZ-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP CCOCCOCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923290530 644326964 /nfs/dbraw/zinc/32/69/64/644326964.db2.gz YNUBTKUYJKVDIE-OLZOCXBDSA-N 2 1 244.379 1.099 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000923290838 644327240 /nfs/dbraw/zinc/32/72/40/644327240.db2.gz LSNUEHQTTRWKQA-GFCCVEGCSA-N 2 1 244.285 1.279 20 0 BDADMP CCC[N@@H+](CC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300295 644330399 /nfs/dbraw/zinc/33/03/99/644330399.db2.gz QNBGCWXPVKCUGO-ZDUSSCGKSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](Cc1ccc(F)cc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923298068 644335525 /nfs/dbraw/zinc/33/55/25/644335525.db2.gz QZURETIVEFFCQB-AVGNSLFASA-N 2 1 238.306 1.108 20 0 BDADMP CCC1(CC)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923312767 644341948 /nfs/dbraw/zinc/34/19/48/644341948.db2.gz LEPCDYKCLSRUBS-SRVKXCTJSA-N 2 1 226.364 1.349 20 0 BDADMP CCC[C@@]1(C)CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315494 644343572 /nfs/dbraw/zinc/34/35/72/644343572.db2.gz HXICIJRDSRWTIV-XUXIUFHCSA-N 2 1 240.391 1.739 20 0 BDADMP C[C@H]([N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)C1(C)CC1 ZINC000923317214 644345127 /nfs/dbraw/zinc/34/51/27/644345127.db2.gz BZWXJHOWKANBPZ-NWDGAFQWSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316595 644345135 /nfs/dbraw/zinc/34/51/35/644345135.db2.gz PJCHNKKIEMQXAJ-UPJWGTAASA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923331083 644349831 /nfs/dbraw/zinc/34/98/31/644349831.db2.gz KFTREHQGCCXEHR-QEJZJMRPSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@@H]1C[C@@H](N(C)CCC[NH2+]C2CC2)CC[N@H+]1C ZINC000923324341 644352906 /nfs/dbraw/zinc/35/29/06/644352906.db2.gz FKXSEZODCNLUIZ-OCCSQVGLSA-N 2 1 239.407 1.543 20 0 BDADMP OCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000923335576 644357115 /nfs/dbraw/zinc/35/71/15/644357115.db2.gz NDRDCGCIXMQKFN-CQSZACIVSA-N 2 1 249.358 1.018 20 0 BDADMP OCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000923335576 644357123 /nfs/dbraw/zinc/35/71/23/644357123.db2.gz NDRDCGCIXMQKFN-CQSZACIVSA-N 2 1 249.358 1.018 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000923332033 644359894 /nfs/dbraw/zinc/35/98/94/644359894.db2.gz OJGMEXIIZWDACK-ZJUUUORDSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000923332033 644359899 /nfs/dbraw/zinc/35/98/99/644359899.db2.gz OJGMEXIIZWDACK-ZJUUUORDSA-N 2 1 223.320 1.406 20 0 BDADMP C[N@H+](C[C@@H](O)Cc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000923355700 644372570 /nfs/dbraw/zinc/37/25/70/644372570.db2.gz AOPFWJKOEMYAAO-LSDHHAIUSA-N 2 1 248.370 1.259 20 0 BDADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000923355700 644372579 /nfs/dbraw/zinc/37/25/79/644372579.db2.gz AOPFWJKOEMYAAO-LSDHHAIUSA-N 2 1 248.370 1.259 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H](O)CC(F)(F)F ZINC000923366971 644377298 /nfs/dbraw/zinc/37/72/98/644377298.db2.gz BRVBSCZCUHXGDJ-SFYZADRCSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H](O)CC(F)(F)F ZINC000923366972 644377968 /nfs/dbraw/zinc/37/79/68/644377968.db2.gz BRVBSCZCUHXGDJ-YUMQZZPRSA-N 2 1 242.285 1.263 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000923376578 644392298 /nfs/dbraw/zinc/39/22/98/644392298.db2.gz ZCKHKLJHHQTUMO-WDEREUQCSA-N 2 1 237.347 1.654 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000923376578 644392302 /nfs/dbraw/zinc/39/23/02/644392302.db2.gz ZCKHKLJHHQTUMO-WDEREUQCSA-N 2 1 237.347 1.654 20 0 BDADMP C[N@@H+](CCC(C)(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923384718 644395547 /nfs/dbraw/zinc/39/55/47/644395547.db2.gz LTRYIMLZBSRSEL-DCAQKATOSA-N 2 1 214.353 1.205 20 0 BDADMP CSC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000923385391 644398278 /nfs/dbraw/zinc/39/82/78/644398278.db2.gz APDOCBFYKHQBSB-QJPTWQEYSA-N 2 1 246.420 1.160 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392285 644398378 /nfs/dbraw/zinc/39/83/78/644398378.db2.gz UNBRFMSIHSWAJH-ROKHWSDSSA-N 2 1 240.391 1.741 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392285 644398382 /nfs/dbraw/zinc/39/83/82/644398382.db2.gz UNBRFMSIHSWAJH-ROKHWSDSSA-N 2 1 240.391 1.741 20 0 BDADMP CCCCCC[C@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923386822 644399531 /nfs/dbraw/zinc/39/95/31/644399531.db2.gz RZMXUIILRXLWOO-LBPRGKRZSA-N 2 1 230.396 1.987 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923386822 644399533 /nfs/dbraw/zinc/39/95/33/644399533.db2.gz RZMXUIILRXLWOO-LBPRGKRZSA-N 2 1 230.396 1.987 20 0 BDADMP c1cc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)no1 ZINC000923394825 644401951 /nfs/dbraw/zinc/40/19/51/644401951.db2.gz GABDYVXHACESPQ-UHFFFAOYSA-N 2 1 249.358 1.996 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000923408603 644410834 /nfs/dbraw/zinc/41/08/34/644410834.db2.gz DJNUTEMOLMMKSL-JSGCOSHPSA-N 2 1 236.359 1.259 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000923408603 644410838 /nfs/dbraw/zinc/41/08/38/644410838.db2.gz DJNUTEMOLMMKSL-JSGCOSHPSA-N 2 1 236.359 1.259 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923412272 644415041 /nfs/dbraw/zinc/41/50/41/644415041.db2.gz QQRNKRCQTKOHDP-MWLCHTKSSA-N 2 1 237.347 1.572 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCc1cccc(F)c1)C2 ZINC000923424650 644418807 /nfs/dbraw/zinc/41/88/07/644418807.db2.gz HSPCJTBZAUIXAI-DZGCQCFKSA-N 2 1 248.345 1.910 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCc1cccc(F)c1)C2 ZINC000923424650 644418810 /nfs/dbraw/zinc/41/88/10/644418810.db2.gz HSPCJTBZAUIXAI-DZGCQCFKSA-N 2 1 248.345 1.910 20 0 BDADMP COCC1([N@@H+](C)CCC[NH2+]C2CC2)CCC1 ZINC000923422353 644419619 /nfs/dbraw/zinc/41/96/19/644419619.db2.gz QGEXMAUXDULGJT-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455552 644434763 /nfs/dbraw/zinc/43/47/63/644434763.db2.gz XIBDMPWBDMQMBO-DGAVXFQQSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455552 644434765 /nfs/dbraw/zinc/43/47/65/644434765.db2.gz XIBDMPWBDMQMBO-DGAVXFQQSA-N 2 1 236.359 1.097 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000923478515 644457362 /nfs/dbraw/zinc/45/73/62/644457362.db2.gz DCDPDLPWIOTFBN-OLZOCXBDSA-N 2 1 238.375 1.616 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923492131 644467023 /nfs/dbraw/zinc/46/70/23/644467023.db2.gz WFECFTXNQIEJHZ-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000923491524 644467612 /nfs/dbraw/zinc/46/76/12/644467612.db2.gz IJNTWSCYKIBMPV-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923492126 644467983 /nfs/dbraw/zinc/46/79/83/644467983.db2.gz WCQBAUJOMBFRTJ-JSGCOSHPSA-N 2 1 233.359 1.807 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491972 644468498 /nfs/dbraw/zinc/46/84/98/644468498.db2.gz LODROAWEJYRNKU-LOWDOPEQSA-N 2 1 210.365 1.949 20 0 BDADMP C[C@@H]1C[N@@H+](CCOC2CC2)CC[C@H]1C[NH3+] ZINC000923494139 644470987 /nfs/dbraw/zinc/47/09/87/644470987.db2.gz VWSVTDASHBKGGH-MNOVXSKESA-N 2 1 212.337 1.082 20 0 BDADMP Cc1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923498792 644472487 /nfs/dbraw/zinc/47/24/87/644472487.db2.gz LPVDSHWCIUJCCC-ATZCPNFKSA-N 2 1 238.335 1.356 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccs2)CC[C@H]1C[NH3+] ZINC000923499861 644473327 /nfs/dbraw/zinc/47/33/27/644473327.db2.gz MNVSBTQMRLYCKX-ZJUUUORDSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923500858 644475151 /nfs/dbraw/zinc/47/51/51/644475151.db2.gz PPXJUXGMZIOESH-PWSUYJOCSA-N 2 1 234.347 1.202 20 0 BDADMP CCSCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500920 644475942 /nfs/dbraw/zinc/47/59/42/644475942.db2.gz RXVCPKWUQUUORN-GHMZBOCLSA-N 2 1 216.394 1.656 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCCC1 ZINC000923515636 644480835 /nfs/dbraw/zinc/48/08/35/644480835.db2.gz COURQZODCCVTPV-BNOWGMLFSA-N 2 1 240.391 1.718 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534011 644489246 /nfs/dbraw/zinc/48/92/46/644489246.db2.gz QJGKFHLQTKVSHV-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534011 644489248 /nfs/dbraw/zinc/48/92/48/644489248.db2.gz QJGKFHLQTKVSHV-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP C(C[N@H+]1CCOC[C@@H]1CC1CC1)[C@H]1CC[NH2+]C1 ZINC000923555236 644498062 /nfs/dbraw/zinc/49/80/62/644498062.db2.gz RXHLRUFMQVJSNM-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP CCn1cnc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000923558859 644498584 /nfs/dbraw/zinc/49/85/84/644498584.db2.gz YECPICBIMVTRLD-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088103060 644509597 /nfs/dbraw/zinc/50/95/97/644509597.db2.gz MNQGGGVWZRCXOS-CYBMUJFWSA-N 2 1 246.354 1.445 20 0 BDADMP CC(C)(C)NCC[NH2+]C1CCC([NH3+])CC1 ZINC000230973755 644529886 /nfs/dbraw/zinc/52/98/86/644529886.db2.gz KBJWJJXLOWDEJA-UHFFFAOYSA-N 2 1 213.369 1.234 20 0 BDADMP CC(C)(C)[NH2+]CCNC1CCC([NH3+])CC1 ZINC000230973755 644529892 /nfs/dbraw/zinc/52/98/92/644529892.db2.gz KBJWJJXLOWDEJA-UHFFFAOYSA-N 2 1 213.369 1.234 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091546525 644629356 /nfs/dbraw/zinc/62/93/56/644629356.db2.gz CJCWMAGNRFSVKL-OLZOCXBDSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091546525 644629359 /nfs/dbraw/zinc/62/93/59/644629359.db2.gz CJCWMAGNRFSVKL-OLZOCXBDSA-N 3 1 239.407 1.530 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091546525 644629363 /nfs/dbraw/zinc/62/93/63/644629363.db2.gz CJCWMAGNRFSVKL-OLZOCXBDSA-N 3 1 239.407 1.530 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000093452817 644690875 /nfs/dbraw/zinc/69/08/75/644690875.db2.gz VOVQYJIHGROAPL-RFQIPJPRSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000093452817 644690881 /nfs/dbraw/zinc/69/08/81/644690881.db2.gz VOVQYJIHGROAPL-RFQIPJPRSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)(C)[NH2+]CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439245 644718617 /nfs/dbraw/zinc/71/86/17/644718617.db2.gz BPOFBYPTHYYQNR-CYBMUJFWSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250646972 644773223 /nfs/dbraw/zinc/77/32/23/644773223.db2.gz VOVQYJIHGROAPL-IGQOVBAYSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250646972 644773228 /nfs/dbraw/zinc/77/32/28/644773228.db2.gz VOVQYJIHGROAPL-IGQOVBAYSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000253199137 644943403 /nfs/dbraw/zinc/94/34/03/644943403.db2.gz WENUFAAYZKWSAW-WCQYABFASA-N 2 1 219.332 1.498 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccnc1Cl ZINC000843129623 645267634 /nfs/dbraw/zinc/26/76/34/645267634.db2.gz QPIQARUMBVBRAN-DTWKUNHWSA-N 2 1 227.739 1.950 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000926645296 645332020 /nfs/dbraw/zinc/33/20/20/645332020.db2.gz BGUYQLFAMHKJKU-NTNDZAACSA-N 2 1 236.359 1.236 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C(C)(C)CO ZINC000926751989 645401871 /nfs/dbraw/zinc/40/18/71/645401871.db2.gz BWDAUVRIPRBPCH-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926867848 645465026 /nfs/dbraw/zinc/46/50/26/645465026.db2.gz FMGIVVGDXGDGOA-ARSDKDGVSA-N 2 1 234.387 1.962 20 0 BDADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926867848 645465031 /nfs/dbraw/zinc/46/50/31/645465031.db2.gz FMGIVVGDXGDGOA-ARSDKDGVSA-N 2 1 234.387 1.962 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(=O)O2)CC[N@@H+]1C ZINC000851796306 645467502 /nfs/dbraw/zinc/46/75/02/645467502.db2.gz AOAOYVOYPXKJFN-WOPDTQHZSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(=O)O2)CC[N@H+]1C ZINC000851796306 645467505 /nfs/dbraw/zinc/46/75/05/645467505.db2.gz AOAOYVOYPXKJFN-WOPDTQHZSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC(=O)O2)CC[NH+]1C ZINC000851796306 645467507 /nfs/dbraw/zinc/46/75/07/645467507.db2.gz AOAOYVOYPXKJFN-WOPDTQHZSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC(=O)O2)CC[NH+]1C ZINC000851796306 645467509 /nfs/dbraw/zinc/46/75/09/645467509.db2.gz AOAOYVOYPXKJFN-WOPDTQHZSA-N 2 1 240.347 1.107 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CCOC1(C)C)C[NH+](C)C ZINC000926962579 645500541 /nfs/dbraw/zinc/50/05/41/645500541.db2.gz QQRMGJURHGDEEZ-NWDGAFQWSA-N 2 1 244.379 1.110 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000927030004 645528806 /nfs/dbraw/zinc/52/88/06/645528806.db2.gz VQTJDVGHBVUJOW-AVGNSLFASA-N 2 1 228.380 1.610 20 0 BDADMP Cc1ccc(OCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729495 645580248 /nfs/dbraw/zinc/58/02/48/645580248.db2.gz OQKBHKXQOHTLQZ-UHFFFAOYSA-N 2 1 234.343 1.797 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NC(C)(C)C)C1CC1 ZINC000221886985 645894240 /nfs/dbraw/zinc/89/42/40/645894240.db2.gz XSCOVWUJPGKVKC-UHFFFAOYSA-N 2 1 226.368 1.383 20 0 BDADMP CC[N@H+](CC[NH2+]C1[C@@H](C)COC[C@@H]1C)C(C)C ZINC000924908454 646129499 /nfs/dbraw/zinc/12/94/99/646129499.db2.gz HEJONLRFVXCSKW-STQMWFEESA-N 2 1 242.407 1.977 20 0 BDADMP CC[N@@H+](CC[NH2+]C1[C@@H](C)COC[C@@H]1C)C(C)C ZINC000924908454 646129506 /nfs/dbraw/zinc/12/95/06/646129506.db2.gz HEJONLRFVXCSKW-STQMWFEESA-N 2 1 242.407 1.977 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000925477098 646292246 /nfs/dbraw/zinc/29/22/46/646292246.db2.gz LEHHLZOGNSPGMH-OLZOCXBDSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925500041 646303907 /nfs/dbraw/zinc/30/39/07/646303907.db2.gz WOSIJTPGBCLLQP-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP O[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925500365 646304579 /nfs/dbraw/zinc/30/45/79/646304579.db2.gz DQHKORJYLIZSNL-TUAOUCFPSA-N 2 1 224.348 1.164 20 0 BDADMP Cn1cc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC000925502829 646306387 /nfs/dbraw/zinc/30/63/87/646306387.db2.gz LYRZIDATYXVPAO-AGIUHOORSA-N 2 1 248.374 1.286 20 0 BDADMP c1cn(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925509894 646309109 /nfs/dbraw/zinc/30/91/09/646309109.db2.gz PMLJQQVRPVBQSG-GFCCVEGCSA-N 2 1 234.347 1.147 20 0 BDADMP C[NH+](C)CCCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925517336 646312639 /nfs/dbraw/zinc/31/26/39/646312639.db2.gz ADIYWFAWKURPPE-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000925530379 646319987 /nfs/dbraw/zinc/31/99/87/646319987.db2.gz KDYOLGLKICUNDP-FQUUOJAGSA-N 2 1 240.391 1.658 20 0 BDADMP Cc1nc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)cs1 ZINC000925535204 646322219 /nfs/dbraw/zinc/32/22/19/646322219.db2.gz CZFRLEQEZVMZSH-NSHDSACASA-N 2 1 239.388 1.724 20 0 BDADMP Cc1csc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)n1 ZINC000925536251 646322998 /nfs/dbraw/zinc/32/29/98/646322998.db2.gz DGIRJOQTMSMVBN-SNVBAGLBSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C[N@H+]1C1CC1 ZINC000925542190 646324439 /nfs/dbraw/zinc/32/44/39/646324439.db2.gz NZMZVCXGVNYZIW-NQBHXWOUSA-N 2 1 237.391 1.342 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOC3CC3)CC[C@H]21 ZINC000929842875 646355958 /nfs/dbraw/zinc/35/59/58/646355958.db2.gz DYPYUUZPRMEATO-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOC3CC3)CC[C@H]21 ZINC000929842875 646355962 /nfs/dbraw/zinc/35/59/62/646355962.db2.gz DYPYUUZPRMEATO-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOC3CC3)CC[C@H]21 ZINC000929842875 646355964 /nfs/dbraw/zinc/35/59/64/646355964.db2.gz DYPYUUZPRMEATO-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925633056 646377591 /nfs/dbraw/zinc/37/75/91/646377591.db2.gz CCOXESYDMVVGKP-UPJWGTAASA-N 2 1 240.391 1.514 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925633053 646378634 /nfs/dbraw/zinc/37/86/34/646378634.db2.gz CCOXESYDMVVGKP-AGIUHOORSA-N 2 1 240.391 1.514 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925636929 646379315 /nfs/dbraw/zinc/37/93/15/646379315.db2.gz WCCIFYDQEASONM-RYUDHWBXSA-N 2 1 240.391 1.514 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925640152 646381465 /nfs/dbraw/zinc/38/14/65/646381465.db2.gz GLVOPZMCFJNWSO-JDEDCZITSA-N 2 1 224.348 1.188 20 0 BDADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925641719 646384822 /nfs/dbraw/zinc/38/48/22/646384822.db2.gz ACHCDSNEFOSQPC-GMTAPVOTSA-N 2 1 224.348 1.020 20 0 BDADMP C[C@@H](O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925655430 646395292 /nfs/dbraw/zinc/39/52/92/646395292.db2.gz VFDGNPIEAWXIAZ-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP C[C@@H](CN(C)C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671753 646399920 /nfs/dbraw/zinc/39/99/20/646399920.db2.gz FPNSJTUYWPDHLM-QJPTWQEYSA-N 2 1 227.396 1.432 20 0 BDADMP Cc1nccnc1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925673970 646402676 /nfs/dbraw/zinc/40/26/76/646402676.db2.gz FXXNAJMSRFLUMI-PWSUYJOCSA-N 2 1 234.347 1.058 20 0 BDADMP Cc1nccnc1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925673971 646403448 /nfs/dbraw/zinc/40/34/48/646403448.db2.gz FXXNAJMSRFLUMI-ZYHUDNBSSA-N 2 1 234.347 1.058 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925675704 646405140 /nfs/dbraw/zinc/40/51/40/646405140.db2.gz OGQPLOSUCKGUFZ-NEPJUHHUSA-N 2 1 224.348 1.286 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689529 646416053 /nfs/dbraw/zinc/41/60/53/646416053.db2.gz BLPMFWOYJJWEEH-OLZOCXBDSA-N 3 1 241.423 1.870 20 0 BDADMP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000925691395 646416641 /nfs/dbraw/zinc/41/66/41/646416641.db2.gz LRQRJMACIPGAGF-VXGBXAGGSA-N 2 1 224.348 1.022 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925689533 646416669 /nfs/dbraw/zinc/41/66/69/646416669.db2.gz BLRBEMNOGAAKLZ-LLGZUXRYSA-N 3 1 247.386 1.934 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925696874 646422110 /nfs/dbraw/zinc/42/21/10/646422110.db2.gz UZTSXFHLRCDFFI-GRYCIOLGSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)(C)CO ZINC000925704435 646428999 /nfs/dbraw/zinc/42/89/99/646428999.db2.gz GYTTUEUYRGHBPX-NSHDSACASA-N 2 1 226.364 1.245 20 0 BDADMP C1CC12C[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925705576 646431503 /nfs/dbraw/zinc/43/15/03/646431503.db2.gz LBPIRFXESVATCR-QWRGUYRKSA-N 2 1 206.333 1.803 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)[C@@H](C)O1 ZINC000925726060 646452242 /nfs/dbraw/zinc/45/22/42/646452242.db2.gz PUGWROLEIXPZFC-NDBYEHHHSA-N 2 1 238.375 1.817 20 0 BDADMP Cc1nccnc1[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925737427 646460002 /nfs/dbraw/zinc/46/00/02/646460002.db2.gz IKECIMAMJSVSOP-SECBINFHSA-N 2 1 222.336 1.563 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCn2ccnc21 ZINC000925738261 646460480 /nfs/dbraw/zinc/46/04/80/646460480.db2.gz PGSRWCNMCUCCQP-SECBINFHSA-N 2 1 208.309 1.045 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925780765 646463788 /nfs/dbraw/zinc/46/37/88/646463788.db2.gz BOWOVFYIIJDKHS-WISYIIOYSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@@H]1C[C@@H](NCc2cc(N)cc[nH+]2)[C@H](C)O1 ZINC000925768053 646468596 /nfs/dbraw/zinc/46/85/96/646468596.db2.gz RQZAMSQWUALKCI-VDDIYKPWSA-N 2 1 221.304 1.319 20 0 BDADMP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925782100 646480066 /nfs/dbraw/zinc/48/00/66/646480066.db2.gz CYOZONZBQVFXJP-JHJVBQTASA-N 2 1 236.363 1.105 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000925800283 646486483 /nfs/dbraw/zinc/48/64/83/646486483.db2.gz YHIATTDEMVERIU-RQJABVFESA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000925800283 646486487 /nfs/dbraw/zinc/48/64/87/646486487.db2.gz YHIATTDEMVERIU-RQJABVFESA-N 2 1 239.407 1.304 20 0 BDADMP C(CC[NH2+][C@@H]1CC[NH2+]C1)CCC1CC[NH2+]CC1 ZINC000925807479 646490804 /nfs/dbraw/zinc/49/08/04/646490804.db2.gz JXFDXKWSPARLHN-CQSZACIVSA-N 3 1 239.407 1.498 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1(Cl)CC1 ZINC000925814792 646491680 /nfs/dbraw/zinc/49/16/80/646491680.db2.gz QAGZFGIEMDACGA-VHSXEESVSA-N 2 1 239.750 1.947 20 0 BDADMP Cc1cc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)nn1C ZINC000925835608 646502775 /nfs/dbraw/zinc/50/27/75/646502775.db2.gz URZSLYGNAZJXCI-AAEUAGOBSA-N 2 1 236.363 1.001 20 0 BDADMP CN1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925839703 646506240 /nfs/dbraw/zinc/50/62/40/646506240.db2.gz CKKHBNZNDLELJT-ZIAGYGMSSA-N 2 1 237.391 1.202 20 0 BDADMP Cn1nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1C1CC1 ZINC000925873369 646524709 /nfs/dbraw/zinc/52/47/09/646524709.db2.gz JEEUELUXXNZHSL-NEPJUHHUSA-N 2 1 248.374 1.657 20 0 BDADMP C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)[C@H]1CCC[NH2+]1 ZINC000925892456 646535224 /nfs/dbraw/zinc/53/52/24/646535224.db2.gz BJJLZKSGGQCIJF-YNEHKIRRSA-N 2 1 238.375 1.818 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926174119 646589323 /nfs/dbraw/zinc/58/93/23/646589323.db2.gz PVQUMCLOKMZEEX-GXTWGEPZSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926174119 646589324 /nfs/dbraw/zinc/58/93/24/646589324.db2.gz PVQUMCLOKMZEEX-GXTWGEPZSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000926206190 646596006 /nfs/dbraw/zinc/59/60/06/646596006.db2.gz HPADWJTWVREZBD-PJXYFTJBSA-N 2 1 237.347 1.223 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[NH+]2C[C@@H]1CCC2 ZINC000926450538 646641622 /nfs/dbraw/zinc/64/16/22/646641622.db2.gz OFVUCVODORSVRT-HZSPNIEDSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926450538 646641625 /nfs/dbraw/zinc/64/16/25/646641625.db2.gz OFVUCVODORSVRT-HZSPNIEDSA-N 2 1 239.407 1.399 20 0 BDADMP Cn1ncc(Cl)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723679429 711533886 /nfs/dbraw/zinc/53/38/86/711533886.db2.gz DIZAJIGYJGGTFP-SECBINFHSA-N 2 1 242.754 1.244 20 0 BDADMP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894490 711544347 /nfs/dbraw/zinc/54/43/47/711544347.db2.gz LSPDQAJAWMDWET-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000723901139 711544123 /nfs/dbraw/zinc/54/41/23/711544123.db2.gz OCUXUTCFARHFIN-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C ZINC000385289642 711578401 /nfs/dbraw/zinc/57/84/01/711578401.db2.gz BYAQDMJEVUZNJM-TUAOUCFPSA-N 2 1 210.365 1.962 20 0 BDADMP CCC1([NH3+])CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000724779476 711612683 /nfs/dbraw/zinc/61/26/83/711612683.db2.gz BKUPCOGHOBGRSV-UHFFFAOYSA-N 2 1 222.336 1.421 20 0 BDADMP CC(C)[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000379891516 711813153 /nfs/dbraw/zinc/81/31/53/711813153.db2.gz ANNAOOXGGTUIDU-ZJUUUORDSA-N 2 1 220.307 1.947 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000379891516 711813154 /nfs/dbraw/zinc/81/31/54/711813154.db2.gz ANNAOOXGGTUIDU-ZJUUUORDSA-N 2 1 220.307 1.947 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000133344472 711957807 /nfs/dbraw/zinc/95/78/07/711957807.db2.gz DHSMEQBMIJREFE-MNOVXSKESA-N 2 1 228.405 1.941 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CC1CC(OC)C1 ZINC000703870669 712092065 /nfs/dbraw/zinc/09/20/65/712092065.db2.gz ZSOZUYNXPBLADX-OTTFEQOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1CC1CC(OC)C1 ZINC000703870669 712092066 /nfs/dbraw/zinc/09/20/66/712092066.db2.gz ZSOZUYNXPBLADX-OTTFEQOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708325833 712186943 /nfs/dbraw/zinc/18/69/43/712186943.db2.gz YESNWMVNFSIIAR-UTUOFQBUSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1[NH3+] ZINC000709695121 712216021 /nfs/dbraw/zinc/21/60/21/712216021.db2.gz BYHNRJXVVNKKOP-GRYCIOLGSA-N 2 1 240.391 1.859 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000709508722 712223314 /nfs/dbraw/zinc/22/33/14/712223314.db2.gz KRDYHGLOWQVTCC-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCC[NH3+])CCN1C ZINC000710725078 712255574 /nfs/dbraw/zinc/25/55/74/712255574.db2.gz SGBRWKDEGVPIJI-UONOGXRCSA-N 2 1 241.423 1.920 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCCCC[NH3+])CC[N@@H+]1C ZINC000710725078 712255575 /nfs/dbraw/zinc/25/55/75/712255575.db2.gz SGBRWKDEGVPIJI-UONOGXRCSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCCCC[NH3+])CC[N@H+]1C ZINC000710725078 712255576 /nfs/dbraw/zinc/25/55/76/712255576.db2.gz SGBRWKDEGVPIJI-UONOGXRCSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCCCCC[NH3+])CC[NH+]1C ZINC000710725078 712255578 /nfs/dbraw/zinc/25/55/78/712255578.db2.gz SGBRWKDEGVPIJI-UONOGXRCSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCC[NH3+])CC[NH+]1C ZINC000710725078 712255580 /nfs/dbraw/zinc/25/55/80/712255580.db2.gz SGBRWKDEGVPIJI-UONOGXRCSA-N 3 1 241.423 1.920 20 0 BDADMP Cc1cc(C[N@H+](C)CCCCCC[NH3+])no1 ZINC000710729022 712255593 /nfs/dbraw/zinc/25/55/93/712255593.db2.gz FBTLITREZPDMOS-UHFFFAOYSA-N 2 1 225.336 1.934 20 0 BDADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])no1 ZINC000710729022 712255594 /nfs/dbraw/zinc/25/55/94/712255594.db2.gz FBTLITREZPDMOS-UHFFFAOYSA-N 2 1 225.336 1.934 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)CCCCCC[NH3+])C1=O ZINC000710804593 712257261 /nfs/dbraw/zinc/25/72/61/712257261.db2.gz NKTLVBQWUSEOGS-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479449 712334309 /nfs/dbraw/zinc/33/43/09/712334309.db2.gz PBCSEKUUSRAOMI-MNOVXSKESA-N 2 1 220.320 1.208 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCCCC1 ZINC000383671239 712383909 /nfs/dbraw/zinc/38/39/09/712383909.db2.gz OGDIYBWNRDZEAW-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000712661902 712439980 /nfs/dbraw/zinc/43/99/80/712439980.db2.gz BVLJDCONQYUXMG-VXGBXAGGSA-N 2 1 228.380 1.576 20 0 BDADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)O1 ZINC000714375667 712484772 /nfs/dbraw/zinc/48/47/72/712484772.db2.gz VWSGQDFUIHRVGP-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP COCC(C)(C)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000718765475 712781968 /nfs/dbraw/zinc/78/19/68/712781968.db2.gz USUNCXWFBZEDNK-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1(C)CCCC1 ZINC000720291126 712830288 /nfs/dbraw/zinc/83/02/88/712830288.db2.gz AHQAONUJRSFSFM-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1(C)CCCC1 ZINC000720291126 712830290 /nfs/dbraw/zinc/83/02/90/712830290.db2.gz AHQAONUJRSFSFM-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2CCSC2)C[C@H]1[NH3+] ZINC000720742653 712863064 /nfs/dbraw/zinc/86/30/64/712863064.db2.gz STNJPAPXTIOEKW-VHSXEESVSA-N 2 1 214.378 1.409 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCSC2)C[C@H]1[NH3+] ZINC000720742653 712863066 /nfs/dbraw/zinc/86/30/66/712863066.db2.gz STNJPAPXTIOEKW-VHSXEESVSA-N 2 1 214.378 1.409 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2CCSC2)C[C@@H]1[NH3+] ZINC000720742651 712863334 /nfs/dbraw/zinc/86/33/34/712863334.db2.gz STNJPAPXTIOEKW-UWVGGRQHSA-N 2 1 214.378 1.409 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCSC2)C[C@@H]1[NH3+] ZINC000720742651 712863335 /nfs/dbraw/zinc/86/33/35/712863335.db2.gz STNJPAPXTIOEKW-UWVGGRQHSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H]1OCC[N@@H+](CCCCCC[NH3+])[C@H]1C ZINC000380422782 712900625 /nfs/dbraw/zinc/90/06/25/712900625.db2.gz DBSHMNQOHITQCW-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000380532236 712901266 /nfs/dbraw/zinc/90/12/66/712901266.db2.gz DVRALTRJHCRLNP-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000380532236 712901267 /nfs/dbraw/zinc/90/12/67/712901267.db2.gz DVRALTRJHCRLNP-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000396542598 710906972 /nfs/dbraw/zinc/90/69/72/710906972.db2.gz BCAVFQCBIABTGR-GXTWGEPZSA-N 2 1 218.344 1.959 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396577112 710907476 /nfs/dbraw/zinc/90/74/76/710907476.db2.gz CZEJCHWSRXMVQJ-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000382945707 710976632 /nfs/dbraw/zinc/97/66/32/710976632.db2.gz SCJCZKIDQQJNFZ-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](CCCO)CCCCCC[NH3+] ZINC000385852643 711019137 /nfs/dbraw/zinc/01/91/37/711019137.db2.gz QDRLJOGCPFURGO-UHFFFAOYSA-N 2 1 202.342 1.210 20 0 BDADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396592271 711355782 /nfs/dbraw/zinc/35/57/82/711355782.db2.gz KDBGRNYSCPFVOX-QJPTWQEYSA-N 2 1 241.379 1.021 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000396587947 711356582 /nfs/dbraw/zinc/35/65/82/711356582.db2.gz BBCPDWCZCQUIKB-TUAOUCFPSA-N 2 1 228.380 1.514 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396588915 711357751 /nfs/dbraw/zinc/35/77/51/711357751.db2.gz VYXBNDPJFOLIBZ-IVZWLZJFSA-N 2 1 202.367 1.468 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000396611784 711358915 /nfs/dbraw/zinc/35/89/15/711358915.db2.gz REDQPLNHHOGOAL-GHMZBOCLSA-N 2 1 241.379 1.021 20 0 BDADMP CCSCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396688164 711365207 /nfs/dbraw/zinc/36/52/07/711365207.db2.gz YBJRIPNRBYGGDZ-MNOVXSKESA-N 2 1 216.394 1.860 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396726619 711366791 /nfs/dbraw/zinc/36/67/91/711366791.db2.gz WPSCWPPOECUGCC-OUAUKWLOSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000396723699 711368128 /nfs/dbraw/zinc/36/81/28/711368128.db2.gz UXWYUYQHLGPYFC-NEPJUHHUSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@@H]1C[N@H+](CCCOC(F)(F)F)CC[C@H]1[NH3+] ZINC000398135484 711402547 /nfs/dbraw/zinc/40/25/47/711402547.db2.gz ALFSLIDLJZRPJW-RKDXNWHRSA-N 2 1 240.269 1.582 20 0 BDADMP C[C@@H]1C[N@@H+](CCCOC(F)(F)F)CC[C@H]1[NH3+] ZINC000398135484 711402552 /nfs/dbraw/zinc/40/25/52/711402552.db2.gz ALFSLIDLJZRPJW-RKDXNWHRSA-N 2 1 240.269 1.582 20 0 BDADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCC1 ZINC000398666906 711414633 /nfs/dbraw/zinc/41/46/33/711414633.db2.gz QLSJNYSHOSPPDP-QWHCGFSZSA-N 2 1 208.349 1.718 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000381431304 710636229 /nfs/dbraw/zinc/63/62/29/710636229.db2.gz BPEDKULMRUURPF-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP CN1CCC[NH+]=C1NCC[N@@H+](C)C1CCCC1 ZINC000386574478 711033051 /nfs/dbraw/zinc/03/30/51/711033051.db2.gz MSVXJLOSRCKRGD-UHFFFAOYSA-N 2 1 238.379 1.142 20 0 BDADMP COc1ccccc1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396701368 711367451 /nfs/dbraw/zinc/36/74/51/711367451.db2.gz NDCNKVQGBNTBAB-JSGCOSHPSA-N 2 1 248.370 1.968 20 0 BDADMP C[C@H]1[C@@H](C)[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000399616480 711433132 /nfs/dbraw/zinc/43/31/32/711433132.db2.gz RVNUMCBTDMTIIL-AAVRWANBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H]1[C@@H](C)[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000399616480 711433134 /nfs/dbraw/zinc/43/31/34/711433134.db2.gz RVNUMCBTDMTIIL-AAVRWANBSA-N 2 1 240.391 1.419 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000723622269 711526682 /nfs/dbraw/zinc/52/66/82/711526682.db2.gz VFSZHBQYFOWWLD-NSHDSACASA-N 2 1 223.320 1.462 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000723622269 711526683 /nfs/dbraw/zinc/52/66/83/711526683.db2.gz VFSZHBQYFOWWLD-NSHDSACASA-N 2 1 223.320 1.462 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)o1 ZINC000723646558 711530333 /nfs/dbraw/zinc/53/03/33/711530333.db2.gz JNBJBRKTHZRPDV-OLZOCXBDSA-N 2 1 249.358 1.865 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)o1 ZINC000723646558 711530334 /nfs/dbraw/zinc/53/03/34/711530334.db2.gz JNBJBRKTHZRPDV-OLZOCXBDSA-N 2 1 249.358 1.865 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723703184 711535653 /nfs/dbraw/zinc/53/56/53/711535653.db2.gz KZNQOXISQFWJAR-JTQLQIEISA-N 2 1 209.293 1.154 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000723714064 711535684 /nfs/dbraw/zinc/53/56/84/711535684.db2.gz ZEBWACCNLMVQDI-SECBINFHSA-N 2 1 244.289 1.449 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000723714064 711535685 /nfs/dbraw/zinc/53/56/85/711535685.db2.gz ZEBWACCNLMVQDI-SECBINFHSA-N 2 1 244.289 1.449 20 0 BDADMP Cc1cc(C)nc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000723877589 711541920 /nfs/dbraw/zinc/54/19/20/711541920.db2.gz WDMWPMAFOITYQM-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723880165 711542090 /nfs/dbraw/zinc/54/20/90/711542090.db2.gz YKYBVMFEUVTSMW-CYBMUJFWSA-N 2 1 233.359 1.869 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1CC[NH3+] ZINC000723884677 711543477 /nfs/dbraw/zinc/54/34/77/711543477.db2.gz VHSKEFDVJCQNLB-DGCLKSJQSA-N 2 1 219.332 1.498 20 0 BDADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000134713314 711543691 /nfs/dbraw/zinc/54/36/91/711543691.db2.gz UTCSNLJOYZSOLR-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cn(C)nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000723965946 711548487 /nfs/dbraw/zinc/54/84/87/711548487.db2.gz ZIVOSIVMPDGYBB-RWMBFGLXSA-N 2 1 248.374 1.288 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000723965946 711548489 /nfs/dbraw/zinc/54/84/89/711548489.db2.gz ZIVOSIVMPDGYBB-RWMBFGLXSA-N 2 1 248.374 1.288 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000724155055 711565470 /nfs/dbraw/zinc/56/54/70/711565470.db2.gz JXISMOGLYNRYKA-WRWGMCAJSA-N 2 1 212.337 1.223 20 0 BDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc[nH]1)CC2 ZINC000724776219 711611578 /nfs/dbraw/zinc/61/15/78/711611578.db2.gz XXHXSYQVEIGLTF-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP Cc1coc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000718091207 711643024 /nfs/dbraw/zinc/64/30/24/711643024.db2.gz CRTNJYKSWOVHAG-QWRGUYRKSA-N 2 1 206.289 1.239 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCCCCO ZINC000309301884 711696932 /nfs/dbraw/zinc/69/69/32/711696932.db2.gz UGJKCATWIZDIEC-GFCCVEGCSA-N 2 1 216.369 1.502 20 0 BDADMP CSCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396545385 711701559 /nfs/dbraw/zinc/70/15/59/711701559.db2.gz DPPICZYYTSIWLM-UWVGGRQHSA-N 2 1 202.367 1.470 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925604853 711704928 /nfs/dbraw/zinc/70/49/28/711704928.db2.gz AVCBZRFAOGONLB-CYBMUJFWSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccn1 ZINC000925711922 711711734 /nfs/dbraw/zinc/71/17/34/711711734.db2.gz GCBYXBPCYINKIT-AAEUAGOBSA-N 2 1 233.359 1.915 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2C1 ZINC000931440609 711714341 /nfs/dbraw/zinc/71/43/41/711714341.db2.gz YKVCJLAJYJJFFC-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1 ZINC000931440609 711714343 /nfs/dbraw/zinc/71/43/43/711714343.db2.gz YKVCJLAJYJJFFC-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2C1 ZINC000931440609 711714344 /nfs/dbraw/zinc/71/43/44/711714344.db2.gz YKVCJLAJYJJFFC-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925786712 711751120 /nfs/dbraw/zinc/75/11/20/711751120.db2.gz VFMDMHDRLKGXNK-NDBYEHHHSA-N 2 1 240.391 1.776 20 0 BDADMP COC[C@H](C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C(C)C ZINC000721768963 711768728 /nfs/dbraw/zinc/76/87/28/711768728.db2.gz NPOHSLXEKLIXDU-MJBXVCDLSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C(C)C ZINC000721768963 711768729 /nfs/dbraw/zinc/76/87/29/711768729.db2.gz NPOHSLXEKLIXDU-MJBXVCDLSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000721870063 711792870 /nfs/dbraw/zinc/79/28/70/711792870.db2.gz AYGPUEDLHIENEZ-RDBSUJKOSA-N 2 1 242.407 1.977 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229066298 711837341 /nfs/dbraw/zinc/83/73/41/711837341.db2.gz JSDQYWJUGFUARG-JQWIXIFHSA-N 2 1 249.358 1.512 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000721916467 711918899 /nfs/dbraw/zinc/91/88/99/711918899.db2.gz XMKTYMMDOILBNG-OLZOCXBDSA-N 2 1 228.380 1.576 20 0 BDADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000700055011 711984987 /nfs/dbraw/zinc/98/49/87/711984987.db2.gz BRNXDWLOAKLSPQ-GFCCVEGCSA-N 2 1 249.358 1.522 20 0 BDADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000700055011 711984988 /nfs/dbraw/zinc/98/49/88/711984988.db2.gz BRNXDWLOAKLSPQ-GFCCVEGCSA-N 2 1 249.358 1.522 20 0 BDADMP C[C@H]1CSCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000700239930 711988214 /nfs/dbraw/zinc/98/82/14/711988214.db2.gz XRSNJUALIQWMLD-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]1CSCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000700239931 711988292 /nfs/dbraw/zinc/98/82/92/711988292.db2.gz XRSNJUALIQWMLD-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1CO ZINC000700402177 711992463 /nfs/dbraw/zinc/99/24/63/711992463.db2.gz ZCWDKRMJIICULP-JSGCOSHPSA-N 2 1 240.391 1.279 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCO[C@H](CCF)C1 ZINC000700589916 711999229 /nfs/dbraw/zinc/99/92/29/711999229.db2.gz DLWVODYQMCRFHE-GFCCVEGCSA-N 2 1 232.343 1.566 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700809944 712006587 /nfs/dbraw/zinc/00/65/87/712006587.db2.gz WSCBSMWBDHEBSF-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000701950653 712033287 /nfs/dbraw/zinc/03/32/87/712033287.db2.gz KFBYTJRRWUTTNR-LPEHRKFASA-N 2 1 218.291 1.762 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000702095005 712038849 /nfs/dbraw/zinc/03/88/49/712038849.db2.gz WWLIIQAPALIQEH-ZIAGYGMSSA-N 2 1 240.391 1.864 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC3(CC3)CC2)C1 ZINC000702564363 712055593 /nfs/dbraw/zinc/05/55/93/712055593.db2.gz AXAUORPJGPCZGE-TXEJJXNPSA-N 2 1 208.349 1.990 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCO1 ZINC000703587908 712080039 /nfs/dbraw/zinc/08/00/39/712080039.db2.gz HYUJLHIZTCTMKF-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000703616587 712081489 /nfs/dbraw/zinc/08/14/89/712081489.db2.gz OIOSHUSQJGFCMG-XQHKEYJVSA-N 2 1 226.364 1.613 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000705708872 712134336 /nfs/dbraw/zinc/13/43/36/712134336.db2.gz VIPMZOBFWLTDJU-PQAZSJQKSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000705708872 712134337 /nfs/dbraw/zinc/13/43/37/712134337.db2.gz VIPMZOBFWLTDJU-PQAZSJQKSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@H](O)CCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705667209 712134865 /nfs/dbraw/zinc/13/48/65/712134865.db2.gz IKKSPOONLWTSAF-IHRRRGAJSA-N 2 1 240.391 1.421 20 0 BDADMP CCOC[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000705822128 712136718 /nfs/dbraw/zinc/13/67/18/712136718.db2.gz ZIPUFWFXKJUKSQ-CYBMUJFWSA-N 2 1 244.379 1.243 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000708079662 712181297 /nfs/dbraw/zinc/18/12/97/712181297.db2.gz HQWKNAMIYXMLGD-YUELXQCFSA-N 2 1 248.370 1.901 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708337499 712188807 /nfs/dbraw/zinc/18/88/07/712188807.db2.gz NMBQETBYSUJPRI-UTUOFQBUSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000708679285 712196492 /nfs/dbraw/zinc/19/64/92/712196492.db2.gz DXINWFGVKJIKPY-WISYIIOYSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709130024 712210197 /nfs/dbraw/zinc/21/01/97/712210197.db2.gz JEZDSMPSNLUHOS-NEPJUHHUSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000709130024 712210198 /nfs/dbraw/zinc/21/01/98/712210198.db2.gz JEZDSMPSNLUHOS-NEPJUHHUSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(C)CC1)[NH2+]2 ZINC000709284689 712218991 /nfs/dbraw/zinc/21/89/91/712218991.db2.gz NZZWAXHLMVXJPK-SCUASFONSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@H]1[NH3+] ZINC000709965337 712234923 /nfs/dbraw/zinc/23/49/23/712234923.db2.gz BJVXZJOTBVVIPW-MWLCHTKSSA-N 2 1 225.361 1.355 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711449888 712301322 /nfs/dbraw/zinc/30/13/22/712301322.db2.gz IJGJTRZEFKKTEX-QWHCGFSZSA-N 2 1 244.354 1.125 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC[C@H]1[NH3+] ZINC000711473212 712303082 /nfs/dbraw/zinc/30/30/82/712303082.db2.gz XZQBUPVAVADESA-FRRDWIJNSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCCCCC[NH3+] ZINC000923434912 712322475 /nfs/dbraw/zinc/32/24/75/712322475.db2.gz CJIAHTVVLPEDHP-AGIUHOORSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCCCCC[NH3+] ZINC000923434912 712322477 /nfs/dbraw/zinc/32/24/77/712322477.db2.gz CJIAHTVVLPEDHP-AGIUHOORSA-N 2 1 227.396 1.576 20 0 BDADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)OC1CC1 ZINC000711760401 712326652 /nfs/dbraw/zinc/32/66/52/712326652.db2.gz URLRLHZFSJVVEZ-OCCSQVGLSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOC2CC2)[C@H]1CC[NH3+] ZINC000711776979 712328782 /nfs/dbraw/zinc/32/87/82/712328782.db2.gz PYLSVRUHZMWSLJ-AAEUAGOBSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000923480293 712334210 /nfs/dbraw/zinc/33/42/10/712334210.db2.gz WPSMGCRHCKTCOV-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000923479746 712334258 /nfs/dbraw/zinc/33/42/58/712334258.db2.gz SKZNWWAMERBUKB-GFCCVEGCSA-N 2 1 236.363 1.116 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923480367 712335032 /nfs/dbraw/zinc/33/50/32/712335032.db2.gz XUXLUVCSXBZRMU-ZFWWWQNUSA-N 2 1 248.370 1.699 20 0 BDADMP C([C@H]1CCC2(CCC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000712440294 712429817 /nfs/dbraw/zinc/42/98/17/712429817.db2.gz ZYROTDPSNNIOME-FRRDWIJNSA-N 2 1 236.359 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712483794 712431378 /nfs/dbraw/zinc/43/13/78/712431378.db2.gz DBOHCYYENRUFQO-JHJVBQTASA-N 2 1 238.375 1.615 20 0 BDADMP CCc1cc(NC[C@H]2CC[N@@H+]2CC)cc[nH+]1 ZINC000712582916 712434202 /nfs/dbraw/zinc/43/42/02/712434202.db2.gz RUPOZBPNROYFLB-CYBMUJFWSA-N 2 1 219.332 1.572 20 0 BDADMP CCC[NH+]1CCC(NC[C@H]2CC[N@@H+]2CC)CC1 ZINC000712584874 712434280 /nfs/dbraw/zinc/43/42/80/712434280.db2.gz CEZDBBPLLRRODM-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[NH+]1CCC(NC[C@H]2CC[N@H+]2CC)CC1 ZINC000712584874 712434281 /nfs/dbraw/zinc/43/42/81/712434281.db2.gz CEZDBBPLLRRODM-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CC[NH2+]CCC2(C)C)C1 ZINC000712577205 712448012 /nfs/dbraw/zinc/44/80/12/712448012.db2.gz NWFUPXGKFNVIEV-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCC(C)(C)CO1 ZINC000713589672 712466191 /nfs/dbraw/zinc/46/61/91/712466191.db2.gz AZUGECGEXIQHBZ-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000715406581 712517281 /nfs/dbraw/zinc/51/72/81/712517281.db2.gz BDXZZDIXEPNLCH-LPEHRKFASA-N 2 1 216.275 1.183 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715424543 712518208 /nfs/dbraw/zinc/51/82/08/712518208.db2.gz RFAFIYHEZZFCOE-RGOKHQFPSA-N 2 1 216.275 1.039 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715511718 712524287 /nfs/dbraw/zinc/52/42/87/712524287.db2.gz TWYPRSQKBUNVIJ-FMKGYKFTSA-N 2 1 238.375 1.756 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715511724 712524615 /nfs/dbraw/zinc/52/46/15/712524615.db2.gz TWYPRSQKBUNVIJ-ZRJCITRHSA-N 2 1 238.375 1.756 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715513049 712525003 /nfs/dbraw/zinc/52/50/03/712525003.db2.gz YAWBFWRQYZKYGQ-YUTCNCBUSA-N 2 1 238.375 1.485 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000716462337 712562959 /nfs/dbraw/zinc/56/29/59/712562959.db2.gz GJORITMTJUTHOT-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000716462337 712562960 /nfs/dbraw/zinc/56/29/60/712562960.db2.gz GJORITMTJUTHOT-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CC[C@@H](C[C@H](C)O)[NH2+]C1CC[NH+](C)CC1 ZINC000716944976 712598457 /nfs/dbraw/zinc/59/84/57/712598457.db2.gz NWKNWSRJGRGDQT-QWRGUYRKSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@H](COCc1ccccc1)C[N@H+](C)CC[NH3+] ZINC000719486258 712808923 /nfs/dbraw/zinc/80/89/23/712808923.db2.gz QSLFHBIHSLJLRX-ZDUSSCGKSA-N 2 1 236.359 1.730 20 0 BDADMP C[C@H](COCc1ccccc1)C[N@@H+](C)CC[NH3+] ZINC000719486258 712808926 /nfs/dbraw/zinc/80/89/26/712808926.db2.gz QSLFHBIHSLJLRX-ZDUSSCGKSA-N 2 1 236.359 1.730 20 0 BDADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000719649990 712820942 /nfs/dbraw/zinc/82/09/42/712820942.db2.gz WKSJGIMEMSQEHL-TZMCWYRMSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000719649990 712820944 /nfs/dbraw/zinc/82/09/44/712820944.db2.gz WKSJGIMEMSQEHL-TZMCWYRMSA-N 2 1 239.407 1.541 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1ccon1 ZINC000720359611 712833895 /nfs/dbraw/zinc/83/38/95/712833895.db2.gz YBEYEVABUSSSPI-UHFFFAOYSA-N 2 1 211.309 1.626 20 0 BDADMP C[N@H+](CCCCCC[NH3+])Cc1ccon1 ZINC000720359611 712833893 /nfs/dbraw/zinc/83/38/93/712833893.db2.gz YBEYEVABUSSSPI-UHFFFAOYSA-N 2 1 211.309 1.626 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)O1 ZINC000720862887 712871379 /nfs/dbraw/zinc/87/13/79/712871379.db2.gz VUXFYJLPHDEXQB-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720893513 712875586 /nfs/dbraw/zinc/87/55/86/712875586.db2.gz KWTKOEYHYGOFJZ-XJFOESAGSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000720893513 712875588 /nfs/dbraw/zinc/87/55/88/712875588.db2.gz KWTKOEYHYGOFJZ-XJFOESAGSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000720893513 712875589 /nfs/dbraw/zinc/87/55/89/712875589.db2.gz KWTKOEYHYGOFJZ-XJFOESAGSA-N 2 1 237.391 1.010 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCCC1 ZINC000692946855 956990371 /nfs/dbraw/zinc/99/03/71/956990371.db2.gz XEHBGXJFJDMMGH-KWCYVHTRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000396846565 957305565 /nfs/dbraw/zinc/30/55/65/957305565.db2.gz HFXUGKKAWDBNAZ-IJLUTSLNSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000396846565 957305575 /nfs/dbraw/zinc/30/55/75/957305575.db2.gz HFXUGKKAWDBNAZ-IJLUTSLNSA-N 2 1 226.364 1.484 20 0 BDADMP CCO[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000706523798 957949055 /nfs/dbraw/zinc/94/90/55/957949055.db2.gz CZSJTFPKSHHWML-ZGVCCVRISA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C[NH2+]1 ZINC000399273901 958595389 /nfs/dbraw/zinc/59/53/89/958595389.db2.gz VACRGMDPPSXIOJ-OPRDCNLKSA-N 2 1 218.291 1.904 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000708503755 959526743 /nfs/dbraw/zinc/52/67/43/959526743.db2.gz KUWVNMXKWFIVFK-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1c(C[N@H+]2CCC[C@H]([NH3+])CC2)cnn1C ZINC000708591178 959644127 /nfs/dbraw/zinc/64/41/27/959644127.db2.gz NWPCRKRRTLFYAB-LBPRGKRZSA-N 2 1 222.336 1.042 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000309466263 959878279 /nfs/dbraw/zinc/87/82/79/959878279.db2.gz SVIJCPRKPLLYOO-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001168093785 963697871 /nfs/dbraw/zinc/69/78/71/963697871.db2.gz XSROZSUXWIDVPT-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315962 964434608 /nfs/dbraw/zinc/43/46/08/964434608.db2.gz SOEIAFQPPMZHGW-RUXDESIVSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)CC[N@@H+]1C ZINC000698556038 965329174 /nfs/dbraw/zinc/32/91/74/965329174.db2.gz IAISDJUMRVYRJQ-WCABBAIRSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)CC[N@H+]1C ZINC000698556038 965329188 /nfs/dbraw/zinc/32/91/88/965329188.db2.gz IAISDJUMRVYRJQ-WCABBAIRSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000698774932 965496669 /nfs/dbraw/zinc/49/66/69/965496669.db2.gz MLTLMTXRILUAKD-SVDPJWKOSA-N 2 1 248.317 1.468 20 0 BDADMP CCN(CCCn1cc[nH+]c1C)[C@H]1CC[NH2+]C1 ZINC000699610317 966002908 /nfs/dbraw/zinc/00/29/08/966002908.db2.gz JMOCMMPKUFEGMT-ZDUSSCGKSA-N 2 1 236.363 1.265 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc[nH]2)CC1 ZINC001205264785 967454640 /nfs/dbraw/zinc/45/46/40/967454640.db2.gz MJEZLEXGSRYDRO-GFCCVEGCSA-N 2 1 207.321 1.718 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205602799 967721361 /nfs/dbraw/zinc/72/13/61/967721361.db2.gz MOUGQKVKWIXZKG-OLZOCXBDSA-N 3 1 227.396 1.422 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc[nH]c2)CCC1(F)F ZINC001205769767 967808880 /nfs/dbraw/zinc/80/88/80/967808880.db2.gz KNFNDQDMSZCJGT-SNVBAGLBSA-N 2 1 229.274 1.431 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc[nH]c2)CCC1(F)F ZINC001205769767 967808884 /nfs/dbraw/zinc/80/88/84/967808884.db2.gz KNFNDQDMSZCJGT-SNVBAGLBSA-N 2 1 229.274 1.431 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccon2)CC1 ZINC001206305379 968215996 /nfs/dbraw/zinc/21/59/96/968215996.db2.gz YBWFUPCMXRTTCP-GFCCVEGCSA-N 2 1 223.320 1.626 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)C[NH2+]C(C)(C)C ZINC001251801500 968335794 /nfs/dbraw/zinc/33/57/94/968335794.db2.gz MJZGPFPRNAVNQR-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP CCCC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001252090500 968511621 /nfs/dbraw/zinc/51/16/21/968511621.db2.gz KVIBGODMTVUVLP-CQSZACIVSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@](C)(O)C1 ZINC001207275407 968708057 /nfs/dbraw/zinc/70/80/57/968708057.db2.gz NDZHDCJRTDEBBE-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001207280294 968712118 /nfs/dbraw/zinc/71/21/18/968712118.db2.gz UBODMWRUWNNTTH-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001207280294 968712128 /nfs/dbraw/zinc/71/21/28/968712128.db2.gz UBODMWRUWNNTTH-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@]12CCOC2 ZINC001207285162 968716753 /nfs/dbraw/zinc/71/67/53/968716753.db2.gz ZGVGOYACODZFKA-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]12CCOC2 ZINC001207285162 968716759 /nfs/dbraw/zinc/71/67/59/968716759.db2.gz ZGVGOYACODZFKA-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP CC[N@@H+](CCC(=O)OC)CC(C)(C)C[NH+](C)C ZINC001207288206 968717852 /nfs/dbraw/zinc/71/78/52/968717852.db2.gz JNFLZZZJDJONTA-UHFFFAOYSA-N 2 1 244.379 1.459 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001207392313 968750027 /nfs/dbraw/zinc/75/00/27/968750027.db2.gz YTLSDDGVLZCSIQ-RYUDHWBXSA-N 2 1 232.318 1.710 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001207392313 968750039 /nfs/dbraw/zinc/75/00/39/968750039.db2.gz YTLSDDGVLZCSIQ-RYUDHWBXSA-N 2 1 232.318 1.710 20 0 BDADMP CSCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001207401013 968753097 /nfs/dbraw/zinc/75/30/97/968753097.db2.gz JGDZZTCNVSBKFJ-UHFFFAOYSA-N 2 1 216.394 1.623 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001207479762 968795017 /nfs/dbraw/zinc/79/50/17/968795017.db2.gz MYQMOLUBOXYVPR-STQMWFEESA-N 2 1 244.354 1.123 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)C1(C)COC1 ZINC001207486039 968796566 /nfs/dbraw/zinc/79/65/66/968796566.db2.gz BURBSANGVRONSS-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CC[C@@](C)(O)C2)CCCC1 ZINC001208185003 969118604 /nfs/dbraw/zinc/11/86/04/969118604.db2.gz SPEYBBNIOAILOB-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)C2CCOCC2)CC1 ZINC001208592751 969150114 /nfs/dbraw/zinc/15/01/14/969150114.db2.gz AWHGGMXOYPKROO-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCOC2)CC1 ZINC001208597409 969150804 /nfs/dbraw/zinc/15/08/04/969150804.db2.gz HDKSETKGNRCLHK-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CCCO1 ZINC001208605094 969155030 /nfs/dbraw/zinc/15/50/30/969155030.db2.gz YMZJTZUPPOWDEU-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC001208605094 969155036 /nfs/dbraw/zinc/15/50/36/969155036.db2.gz YMZJTZUPPOWDEU-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC001208605094 969155041 /nfs/dbraw/zinc/15/50/41/969155041.db2.gz YMZJTZUPPOWDEU-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CC3)C2)C1 ZINC001208606457 969156213 /nfs/dbraw/zinc/15/62/13/969156213.db2.gz GNZZVENPURSFBI-LBPRGKRZSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC3(CC3)C2)C1 ZINC001208606457 969156216 /nfs/dbraw/zinc/15/62/16/969156216.db2.gz GNZZVENPURSFBI-LBPRGKRZSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC3(CC3)C2)C1 ZINC001208606457 969156222 /nfs/dbraw/zinc/15/62/22/969156222.db2.gz GNZZVENPURSFBI-LBPRGKRZSA-N 2 1 208.349 1.814 20 0 BDADMP CC[N@H+]1CCN(C[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208612573 969172482 /nfs/dbraw/zinc/17/24/82/969172482.db2.gz CAIRXDUZWIAGQM-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001208612573 969172485 /nfs/dbraw/zinc/17/24/85/969172485.db2.gz CAIRXDUZWIAGQM-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001208612573 969172489 /nfs/dbraw/zinc/17/24/89/969172489.db2.gz CAIRXDUZWIAGQM-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CC(C)[C@@H]1COCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208613425 969173781 /nfs/dbraw/zinc/17/37/81/969173781.db2.gz UAEWKEOYSBLPLY-KBPBESRZSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@@H]1COCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208613425 969173786 /nfs/dbraw/zinc/17/37/86/969173786.db2.gz UAEWKEOYSBLPLY-KBPBESRZSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C2 ZINC001253741979 969361816 /nfs/dbraw/zinc/36/18/16/969361816.db2.gz RFQRKOKNZDUAJN-RNJOBUHISA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(O)CCC1)C2 ZINC001169102285 969395425 /nfs/dbraw/zinc/39/54/25/969395425.db2.gz YXXNIFRSANPGLP-CNDDSTCGSA-N 2 1 224.348 1.116 20 0 BDADMP CC(C)[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001253778526 969400220 /nfs/dbraw/zinc/40/02/20/969400220.db2.gz SJYZZANECGYYAN-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP CC[NH+](CC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082357 969401390 /nfs/dbraw/zinc/40/13/90/969401390.db2.gz YTBQUDKQJFNFCH-BTTYYORXSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC001169266642 969526563 /nfs/dbraw/zinc/52/65/63/969526563.db2.gz ZQNQBBKRKZJLQP-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC001169266642 969526566 /nfs/dbraw/zinc/52/65/66/969526566.db2.gz ZQNQBBKRKZJLQP-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP CCN1CCC([N@H+]2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001169247061 969535838 /nfs/dbraw/zinc/53/58/38/969535838.db2.gz XWUZOBIKDMYAAQ-PWSUYJOCSA-N 2 1 214.328 1.761 20 0 BDADMP COCC1([NH2+][C@@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254500490 969659748 /nfs/dbraw/zinc/65/97/48/969659748.db2.gz IGMDPCIEVXTXDO-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[NH+](CCOC)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515872 969688209 /nfs/dbraw/zinc/68/82/09/969688209.db2.gz FROCZQLANUHISV-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCC[NH+](CCOC)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515872 969688215 /nfs/dbraw/zinc/68/82/15/969688215.db2.gz FROCZQLANUHISV-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP C[NH+](C)[C@H]1CCN([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516328 969693190 /nfs/dbraw/zinc/69/31/90/969693190.db2.gz LWMDVDJUEAXQNT-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@@H+](C1CCOCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254522925 969708507 /nfs/dbraw/zinc/70/85/07/969708507.db2.gz KPFYWMJFJFETKY-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](C1CCOCC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522925 969708514 /nfs/dbraw/zinc/70/85/14/969708514.db2.gz KPFYWMJFJFETKY-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](C1CCOCC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522925 969708523 /nfs/dbraw/zinc/70/85/23/969708523.db2.gz KPFYWMJFJFETKY-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC001254524277 969708899 /nfs/dbraw/zinc/70/88/99/969708899.db2.gz AGABBFWKWYZNQF-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@@H+](CC(C)(C)O)[C@H]1CCC[NH+](C)CC1 ZINC001254530241 969728674 /nfs/dbraw/zinc/72/86/74/969728674.db2.gz VNPWROFCLPQGRZ-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC(C)(C)O)[C@H]1CCC[N@H+](C)CC1 ZINC001254530241 969728680 /nfs/dbraw/zinc/72/86/80/969728680.db2.gz VNPWROFCLPQGRZ-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC(C)(C)O)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530241 969728685 /nfs/dbraw/zinc/72/86/85/969728685.db2.gz VNPWROFCLPQGRZ-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CCOC(=O)C1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001255257041 970012005 /nfs/dbraw/zinc/01/20/05/970012005.db2.gz TXSSJYSEQLGFJY-UHFFFAOYSA-N 2 1 240.347 1.189 20 0 BDADMP CC1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255673695 970451940 /nfs/dbraw/zinc/45/19/40/970451940.db2.gz DMIYCQHRYFJSAU-FUNVUKJBSA-N 2 1 208.349 1.953 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])CCO1 ZINC001170163767 970517435 /nfs/dbraw/zinc/51/74/35/970517435.db2.gz ALCQJIXXKOVUIS-VHSXEESVSA-N 2 1 200.326 1.271 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC(=O)C1 ZINC001255945054 970575695 /nfs/dbraw/zinc/57/56/95/970575695.db2.gz JIHQSIWKTJILHO-SNVBAGLBSA-N 2 1 212.337 1.428 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@](C)(CO)C1 ZINC001255956509 970597826 /nfs/dbraw/zinc/59/78/26/970597826.db2.gz KUSNERYUAWSEKL-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCC(=O)NC ZINC001255960217 970599872 /nfs/dbraw/zinc/59/98/72/970599872.db2.gz FXXDKMOBDLLECA-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400634138 970613766 /nfs/dbraw/zinc/61/37/66/970613766.db2.gz MFJLOUKNYDGELK-WZRBSPASSA-N 2 1 222.332 1.941 20 0 BDADMP COCC1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC001256067472 970631812 /nfs/dbraw/zinc/63/18/12/970631812.db2.gz QHNZBOKUHNQFKC-UHFFFAOYSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256198258 970698365 /nfs/dbraw/zinc/69/83/65/970698365.db2.gz HKSXIJPLIRXXOK-MQMHXKEQSA-N 3 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001256202232 970700541 /nfs/dbraw/zinc/70/05/41/970700541.db2.gz BAVOPQVTYUZADS-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001256202232 970700554 /nfs/dbraw/zinc/70/05/54/970700554.db2.gz BAVOPQVTYUZADS-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001256203276 970703690 /nfs/dbraw/zinc/70/36/90/970703690.db2.gz UUAQHLATROILQG-CYBMUJFWSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@@](O)(CF)CC2)CC1 ZINC001256203437 970702982 /nfs/dbraw/zinc/70/29/82/970702982.db2.gz XSEKQCGFSUBCDM-ZDUSSCGKSA-N 2 1 244.354 1.267 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@@](O)(CF)CC2)CC1 ZINC001256203437 970703007 /nfs/dbraw/zinc/70/30/07/970703007.db2.gz XSEKQCGFSUBCDM-ZDUSSCGKSA-N 2 1 244.354 1.267 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001256208324 970714028 /nfs/dbraw/zinc/71/40/28/970714028.db2.gz FIMYHEAGRMLWSM-RYUDHWBXSA-N 2 1 224.348 1.049 20 0 BDADMP CC[N@@H+](C)C1CCN(C2CC[NH+](C)CC2)CC1 ZINC001256209950 970716834 /nfs/dbraw/zinc/71/68/34/970716834.db2.gz YEPORNNCKBIJEZ-UHFFFAOYSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC001334041492 976236401 /nfs/dbraw/zinc/23/64/01/976236401.db2.gz GNDPZQSPFPHQRG-SECBINFHSA-N 2 1 248.321 1.097 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429465 979045974 /nfs/dbraw/zinc/04/59/74/979045974.db2.gz YDSUAHLXRSAQJW-MJBXVCDLSA-N 2 1 239.407 1.435 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429465 979045981 /nfs/dbraw/zinc/04/59/81/979045981.db2.gz YDSUAHLXRSAQJW-MJBXVCDLSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC001235892324 979184177 /nfs/dbraw/zinc/18/41/77/979184177.db2.gz PEYLVBHQGUNHCF-YPMHNXCESA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC001235892324 979184189 /nfs/dbraw/zinc/18/41/89/979184189.db2.gz PEYLVBHQGUNHCF-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H](N)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235892324 979184195 /nfs/dbraw/zinc/18/41/95/979184195.db2.gz PEYLVBHQGUNHCF-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H](N)C[N@H+]1CCC1CC[NH2+]CC1 ZINC001235892324 979184201 /nfs/dbraw/zinc/18/42/01/979184201.db2.gz PEYLVBHQGUNHCF-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP CS[C@H](C)CC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990769 979276606 /nfs/dbraw/zinc/27/66/06/979276606.db2.gz COCBQRGMOKFFNZ-YIBTVLSRSA-N 2 1 244.404 1.034 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)n1C ZINC001205264038 979812737 /nfs/dbraw/zinc/81/27/37/979812737.db2.gz GYMVPXPIYDGITF-ZDUSSCGKSA-N 2 1 236.363 1.432 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1C ZINC001205264038 979812741 /nfs/dbraw/zinc/81/27/41/979812741.db2.gz GYMVPXPIYDGITF-ZDUSSCGKSA-N 2 1 236.363 1.432 20 0 BDADMP [NH3+]CCCCC[N@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001237142808 979822300 /nfs/dbraw/zinc/82/23/00/979822300.db2.gz BXNODBLMBXHMOI-CQSZACIVSA-N 2 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCC[N@@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001237142808 979822303 /nfs/dbraw/zinc/82/23/03/979822303.db2.gz BXNODBLMBXHMOI-CQSZACIVSA-N 2 1 239.407 1.722 20 0 BDADMP CC(C)C[N@@H+](C)CCCNc1cc[nH+]cc1 ZINC001347798638 981179995 /nfs/dbraw/zinc/17/99/95/981179995.db2.gz WEHXXBIPVJIEFO-UHFFFAOYSA-N 2 1 221.348 1.893 20 0 BDADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCO)CC1 ZINC001196934828 982500254 /nfs/dbraw/zinc/50/02/54/982500254.db2.gz FBYMQWJOYVTLIJ-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C(C[N@H+]1CCCC[C@]12CCOC2)C1C[NH2+]C1 ZINC001574800617 984115355 /nfs/dbraw/zinc/11/53/55/984115355.db2.gz JRLUELDVWSVDIV-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP CC(C)OCC[C@@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172432001 974716774 /nfs/dbraw/zinc/71/67/74/974716774.db2.gz UGIKMWJETUSZHJ-LLVKDONJSA-N 2 1 225.336 1.760 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCOC(C)C ZINC001172432619 974719210 /nfs/dbraw/zinc/71/92/10/974719210.db2.gz BSDWIXPCSIVAQR-GFCCVEGCSA-N 2 1 239.363 1.985 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnccc1C ZINC001327414791 972573128 /nfs/dbraw/zinc/57/31/28/972573128.db2.gz DYTGDUHWVPGNDH-LLVKDONJSA-N 2 1 207.321 1.478 20 0 BDADMP CCCCC[C@H](CC)[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246542467 972582585 /nfs/dbraw/zinc/58/25/85/972582585.db2.gz QOHAMCMTZCJSJN-RWMBFGLXSA-N 2 1 228.380 1.739 20 0 BDADMP CCCCC[C@H](CC)[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246542467 972582599 /nfs/dbraw/zinc/58/25/99/972582599.db2.gz QOHAMCMTZCJSJN-RWMBFGLXSA-N 2 1 228.380 1.739 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CCC[N@@H+](C)C2)C1 ZINC001246559562 972789063 /nfs/dbraw/zinc/78/90/63/972789063.db2.gz RYYUDJJMEARDKW-JHJVBQTASA-N 2 1 225.380 1.140 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccccn1 ZINC001256396476 970803092 /nfs/dbraw/zinc/80/30/92/970803092.db2.gz FLFVFBFOLRDAHW-NSHDSACASA-N 2 1 244.342 1.891 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1ccccn1 ZINC001256404144 970808653 /nfs/dbraw/zinc/80/86/53/970808653.db2.gz FIQCBENNKUYOFI-VXGBXAGGSA-N 2 1 221.348 1.539 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001256624336 970889828 /nfs/dbraw/zinc/88/98/28/970889828.db2.gz WZGBSMVVZCKLGF-YIPFDTCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@@H]1O ZINC001256624336 970889838 /nfs/dbraw/zinc/88/98/38/970889838.db2.gz WZGBSMVVZCKLGF-YIPFDTCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@@H]1O ZINC001256624336 970889839 /nfs/dbraw/zinc/88/98/39/970889839.db2.gz WZGBSMVVZCKLGF-YIPFDTCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001256721954 970944226 /nfs/dbraw/zinc/94/42/26/970944226.db2.gz ZQJIXJNSUIDKGB-DZGCQCFKSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403480233 970951010 /nfs/dbraw/zinc/95/10/10/970951010.db2.gz RNDFRTHGMXDRLQ-CLPYTZEMSA-N 2 1 208.349 1.905 20 0 BDADMP C[C@H](C[NH3+])CN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256910398 971018280 /nfs/dbraw/zinc/01/82/80/971018280.db2.gz ZFQDKGGBFGRYCZ-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CC[NH+]1CC[C@@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224701894 973866828 /nfs/dbraw/zinc/86/68/28/973866828.db2.gz JBKBGANDWHEWBW-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC001257213620 971126060 /nfs/dbraw/zinc/12/60/60/971126060.db2.gz RNCHZNDQDXFIIM-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C2CCC(=O)CC2)CC1 ZINC001257208052 971130376 /nfs/dbraw/zinc/13/03/76/971130376.db2.gz RBZRTJYPCFJELW-UHFFFAOYSA-N 2 1 238.375 1.961 20 0 BDADMP CCc1ccc[nH+]c1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170560854 971182753 /nfs/dbraw/zinc/18/27/53/971182753.db2.gz APSOZCQVNNIGRY-CMPLNLGQSA-N 2 1 235.331 1.433 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCCC2CC2)C[C@H]1C[NH3+] ZINC000405216238 971206313 /nfs/dbraw/zinc/20/63/13/971206313.db2.gz NOEHURHBSMCRQR-CHWSQXEVSA-N 2 1 226.364 1.472 20 0 BDADMP CC[NH+](CC)C[C@@H](C)OC[C@@H]1CCC[N@H+]1C ZINC001224818310 973997251 /nfs/dbraw/zinc/99/72/51/973997251.db2.gz JMFZHEQROBVAJK-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405247287 971219851 /nfs/dbraw/zinc/21/98/51/971219851.db2.gz DGJVOYGMPNQOOX-OLZOCXBDSA-N 2 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405242434 971218449 /nfs/dbraw/zinc/21/84/49/971218449.db2.gz WXCRCUUJACJLQT-JHJVBQTASA-N 2 1 237.391 1.188 20 0 BDADMP CCCC(CCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257329844 971235897 /nfs/dbraw/zinc/23/58/97/971235897.db2.gz QJAWBTXCEYBSAV-LLVKDONJSA-N 2 1 239.363 1.887 20 0 BDADMP C[C@@H](Nc1ccc2[nH]c[nH+]c2c1)[C@@H]1C[NH2+]CCO1 ZINC001170576747 971237625 /nfs/dbraw/zinc/23/76/25/971237625.db2.gz WVJLKPKXWUTBBD-RNCFNFMXSA-N 2 1 246.314 1.352 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000405537260 971268458 /nfs/dbraw/zinc/26/84/58/971268458.db2.gz BSZWMRSQKWXHIP-GMXVVIOVSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C)CC2)CO[C@H]1C ZINC000405552752 971272293 /nfs/dbraw/zinc/27/22/93/971272293.db2.gz SYGCVHCOZINJBO-JBLDHEPKSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@H]1[C@H](C)OC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000405701113 971295395 /nfs/dbraw/zinc/29/53/95/971295395.db2.gz YXSWYZAUQLIEOJ-COPLHBTASA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]1c1nnc([C@H]([NH3+])CCCC[NH3+])o1 ZINC001217699115 971335715 /nfs/dbraw/zinc/33/57/15/971335715.db2.gz LGMXSDIHHROQKK-IWSPIJDZSA-N 2 1 224.308 1.322 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC001257437815 971349272 /nfs/dbraw/zinc/34/92/72/971349272.db2.gz OAFYYJWXTBBVMQ-VIFPVBQESA-N 2 1 247.302 1.038 20 0 BDADMP C(CC1CC1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000406074692 971369688 /nfs/dbraw/zinc/36/96/88/971369688.db2.gz SLUFIACHSXYLJK-QWHCGFSZSA-N 2 1 208.349 1.718 20 0 BDADMP FC1(F)C[NH2+]C[C@@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217845287 971442973 /nfs/dbraw/zinc/44/29/73/971442973.db2.gz XFOVKWNKDRWDOP-QWRGUYRKSA-N 2 1 248.317 1.390 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCCSC1 ZINC001257657718 971460076 /nfs/dbraw/zinc/46/00/76/971460076.db2.gz KVSNSVLTBMAARL-SNVBAGLBSA-N 2 1 225.361 1.761 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCCSC1)C2 ZINC001257682713 971485468 /nfs/dbraw/zinc/48/54/68/971485468.db2.gz IZCYTAOVJKPGLR-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP CC[N@H+]1CCC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217889983 971486122 /nfs/dbraw/zinc/48/61/22/971486122.db2.gz JWQDXZPDGDKUQE-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257683207 971490297 /nfs/dbraw/zinc/49/02/97/971490297.db2.gz ILLUFDFDYKTNNO-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257683207 971490306 /nfs/dbraw/zinc/49/03/06/971490306.db2.gz ILLUFDFDYKTNNO-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257683207 971490308 /nfs/dbraw/zinc/49/03/08/971490308.db2.gz ILLUFDFDYKTNNO-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCCC[NH3+] ZINC001217932993 971535466 /nfs/dbraw/zinc/53/54/66/971535466.db2.gz GHNWINCDUCUOSZ-ZSBIGDGJSA-N 2 1 212.337 1.082 20 0 BDADMP CO[C@@H]1CC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258012689 971553002 /nfs/dbraw/zinc/55/30/02/971553002.db2.gz FZMUTDHGMWYPPR-CQSZACIVSA-N 2 1 240.391 1.828 20 0 BDADMP CC(=O)OCC[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258008869 971553164 /nfs/dbraw/zinc/55/31/64/971553164.db2.gz IHQPOGHQCIPCKW-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP [NH3+]CC(=O)c1ccc(O[C@H]2CCCC[NH2+]C2)cc1 ZINC001217974324 971559813 /nfs/dbraw/zinc/55/98/13/971559813.db2.gz HZTHDWXDDGLMKJ-ZDUSSCGKSA-N 2 1 248.326 1.349 20 0 BDADMP CCOC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154989 974263407 /nfs/dbraw/zinc/26/34/07/974263407.db2.gz KJXUFIGZRBPBTN-QWRGUYRKSA-N 2 1 232.343 1.563 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154989 974263426 /nfs/dbraw/zinc/26/34/26/974263426.db2.gz KJXUFIGZRBPBTN-QWRGUYRKSA-N 2 1 232.343 1.563 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)o1 ZINC001206156761 974328591 /nfs/dbraw/zinc/32/85/91/974328591.db2.gz SPQTWDVJSCKKJV-NEPJUHHUSA-N 2 1 226.295 1.849 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)o1 ZINC001206156761 974328606 /nfs/dbraw/zinc/32/86/06/974328606.db2.gz SPQTWDVJSCKKJV-NEPJUHHUSA-N 2 1 226.295 1.849 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156715 974330449 /nfs/dbraw/zinc/33/04/49/974330449.db2.gz SIBRLEPQOQWHRV-GHMZBOCLSA-N 2 1 244.354 1.753 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156715 974330464 /nfs/dbraw/zinc/33/04/64/974330464.db2.gz SIBRLEPQOQWHRV-GHMZBOCLSA-N 2 1 244.354 1.753 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156715 974330473 /nfs/dbraw/zinc/33/04/73/974330473.db2.gz SIBRLEPQOQWHRV-GHMZBOCLSA-N 2 1 244.354 1.753 20 0 BDADMP [NH3+]Cc1cccc(O[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001218365826 971749159 /nfs/dbraw/zinc/74/91/59/971749159.db2.gz HMGNLBBMCWKYGW-ZDUSSCGKSA-N 2 1 243.310 1.736 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCCOCC1 ZINC001170776842 971804181 /nfs/dbraw/zinc/80/41/81/971804181.db2.gz VYNPMDMUFUXPNL-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCOCC3)C[C@H]21 ZINC001170832576 971943899 /nfs/dbraw/zinc/94/38/99/971943899.db2.gz BFVQGSRYXSMNRK-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP COc1ccc2[nH+]ccc(NCC[C@@H](C)[NH3+])c2n1 ZINC001170891423 972047079 /nfs/dbraw/zinc/04/70/79/972047079.db2.gz XBHALPCVNJESEZ-SECBINFHSA-N 2 1 246.314 1.210 20 0 BDADMP Cc1cc2cc(N[C@@H](N)CCC[NH3+])ccc2c[nH+]1 ZINC001170904822 972081594 /nfs/dbraw/zinc/08/15/94/972081594.db2.gz PZDJKGVUOYRQGL-CQSZACIVSA-N 2 1 244.342 1.979 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246019515 972119721 /nfs/dbraw/zinc/11/97/21/972119721.db2.gz IPNVNMHRLXJTBK-GRYCIOLGSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccco2)CC[NH2+]1 ZINC001246080852 972136568 /nfs/dbraw/zinc/13/65/68/972136568.db2.gz KRZPIPJLKWKJAH-OUAUKWLOSA-N 2 1 224.304 1.043 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246089909 972142158 /nfs/dbraw/zinc/14/21/58/972142158.db2.gz HREBXWNLHXCXHK-RYUDHWBXSA-N 2 1 222.332 1.942 20 0 BDADMP C[NH2+]C1CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC001246091881 972146289 /nfs/dbraw/zinc/14/62/89/972146289.db2.gz QWXUKRBGTFAGBA-BPCQOVAHSA-N 2 1 225.380 1.249 20 0 BDADMP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246102713 972160688 /nfs/dbraw/zinc/16/06/88/972160688.db2.gz SPXASISNCLYXKH-FDYHWXHSSA-N 3 1 239.407 1.351 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C23CCC([NH3+])(CC2)CC3)C[NH2+]1 ZINC001246164192 972200345 /nfs/dbraw/zinc/20/03/45/972200345.db2.gz UBHLVQDFVPUIOQ-MRFVTOPCSA-N 3 1 237.391 1.521 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246203153 972217136 /nfs/dbraw/zinc/21/71/36/972217136.db2.gz QKXGGVHFZVLPLI-RVMXOQNASA-N 3 1 225.380 1.234 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC000193614335 972229274 /nfs/dbraw/zinc/22/92/74/972229274.db2.gz XMRXUFVSBNBOFB-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC000193614335 972229278 /nfs/dbraw/zinc/22/92/78/972229278.db2.gz XMRXUFVSBNBOFB-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC000193614335 972229280 /nfs/dbraw/zinc/22/92/80/972229280.db2.gz XMRXUFVSBNBOFB-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)CCCOC3)C1 ZINC001208608416 957090434 /nfs/dbraw/zinc/09/04/34/957090434.db2.gz SJKCPOXKNDUBOR-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CCCOC3)C1 ZINC001208608416 957090447 /nfs/dbraw/zinc/09/04/47/957090447.db2.gz SJKCPOXKNDUBOR-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246236085 972240776 /nfs/dbraw/zinc/24/07/76/972240776.db2.gz IMCYTYQNENJOIG-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP C1=CO[C@H](C[NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001208888361 957203467 /nfs/dbraw/zinc/20/34/67/957203467.db2.gz WHICCYQYWFTCJM-AWEZNQCLSA-N 2 1 236.359 1.849 20 0 BDADMP C[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(F)(F)F ZINC001208905307 957237562 /nfs/dbraw/zinc/23/75/62/957237562.db2.gz MZTHCBCUQOWNQB-LPEHRKFASA-N 2 1 236.281 1.678 20 0 BDADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(F)(F)F ZINC001208905307 957237575 /nfs/dbraw/zinc/23/75/75/957237575.db2.gz MZTHCBCUQOWNQB-LPEHRKFASA-N 2 1 236.281 1.678 20 0 BDADMP C[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C(F)(F)F ZINC001208905307 957237595 /nfs/dbraw/zinc/23/75/95/957237595.db2.gz MZTHCBCUQOWNQB-LPEHRKFASA-N 2 1 236.281 1.678 20 0 BDADMP C[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C(F)(F)F ZINC001208905307 957237620 /nfs/dbraw/zinc/23/76/20/957237620.db2.gz MZTHCBCUQOWNQB-LPEHRKFASA-N 2 1 236.281 1.678 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209428282 957452935 /nfs/dbraw/zinc/45/29/35/957452935.db2.gz RSVRKJFEQRTLNZ-XQHKEYJVSA-N 2 1 208.349 1.526 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209428282 957452936 /nfs/dbraw/zinc/45/29/36/957452936.db2.gz RSVRKJFEQRTLNZ-XQHKEYJVSA-N 2 1 208.349 1.526 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209428282 957452944 /nfs/dbraw/zinc/45/29/44/957452944.db2.gz RSVRKJFEQRTLNZ-XQHKEYJVSA-N 2 1 208.349 1.526 20 0 BDADMP CCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246310629 972271778 /nfs/dbraw/zinc/27/17/78/972271778.db2.gz UNPLUEDEJRBTJE-RWMBFGLXSA-N 2 1 228.380 1.515 20 0 BDADMP C[N@H+]1CC[C@H](Nc2cc(Cl)cc(N)n2)C1 ZINC001167270464 957611375 /nfs/dbraw/zinc/61/13/75/957611375.db2.gz XDGFZTVVSKYWPD-QMMMGPOBSA-N 2 1 226.711 1.433 20 0 BDADMP [NH3+][C@@]12CC[C@@](N[C@@H]3CCC[NH2+]CC3)(C1)CCC2 ZINC001246333306 972294885 /nfs/dbraw/zinc/29/48/85/972294885.db2.gz LGUIFZIHDBSHQX-HZSPNIEDSA-N 2 1 237.391 1.522 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cncn2CCF)CC[NH2+]1 ZINC001246444733 972319241 /nfs/dbraw/zinc/31/92/41/972319241.db2.gz BFYKZXOCLGQJEH-GHMZBOCLSA-N 2 1 240.326 1.083 20 0 BDADMP CCCCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453290 972325914 /nfs/dbraw/zinc/32/59/14/972325914.db2.gz NBXOJIVZKMUHTA-ZDUSSCGKSA-N 3 1 229.412 1.873 20 0 BDADMP CCSC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000706965236 958311682 /nfs/dbraw/zinc/31/16/82/958311682.db2.gz WAUPCRCCAXJSSK-VHSXEESVSA-N 2 1 204.383 1.655 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000707201871 958400832 /nfs/dbraw/zinc/40/08/32/958400832.db2.gz VUOVNRNQOXNVEW-NWDGAFQWSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000707201871 958400838 /nfs/dbraw/zinc/40/08/38/958400838.db2.gz VUOVNRNQOXNVEW-NWDGAFQWSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000707201873 958402623 /nfs/dbraw/zinc/40/26/23/958402623.db2.gz VUOVNRNQOXNVEW-VXGBXAGGSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC[C@@H](NC[C@@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000399008864 958480742 /nfs/dbraw/zinc/48/07/42/958480742.db2.gz BJEIVOYMMXXVRX-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP CCCCC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222080880 972362702 /nfs/dbraw/zinc/36/27/02/972362702.db2.gz PKPLKSIGEDRMBK-UHFFFAOYSA-N 2 1 225.380 1.204 20 0 BDADMP CCN(CC)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693543608 958743866 /nfs/dbraw/zinc/74/38/66/958743866.db2.gz KIDSQZCEZIMXKH-XQQFMLRXSA-N 2 1 225.380 1.140 20 0 BDADMP CC[NH+](CC)[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693543608 958743888 /nfs/dbraw/zinc/74/38/88/958743888.db2.gz KIDSQZCEZIMXKH-XQQFMLRXSA-N 2 1 225.380 1.140 20 0 BDADMP COC[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207276067 958846228 /nfs/dbraw/zinc/84/62/28/958846228.db2.gz TXXFAGBZYPOGSF-LBPRGKRZSA-N 2 1 228.380 1.543 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC000693587032 958892117 /nfs/dbraw/zinc/89/21/17/958892117.db2.gz XJILQOMZKKPAEF-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CCC[NH2+]CC1 ZINC001246524357 972387896 /nfs/dbraw/zinc/38/78/96/972387896.db2.gz INCNNPVICALSNN-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC001246524357 972387904 /nfs/dbraw/zinc/38/79/04/972387904.db2.gz INCNNPVICALSNN-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000693617863 959008427 /nfs/dbraw/zinc/00/84/27/959008427.db2.gz UMSPVSTWVOZOLF-WYUUTHIRSA-N 2 1 212.337 1.223 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H](CC)CO1 ZINC000404107023 959057974 /nfs/dbraw/zinc/05/79/74/959057974.db2.gz UOGSKHMQIPQOQP-XJFOESAGSA-N 2 1 240.391 1.731 20 0 BDADMP CC1(C[N@@H+]2CC[C@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222192281 972400489 /nfs/dbraw/zinc/40/04/89/972400489.db2.gz UTFSJGWXFRMCKQ-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP CC1(C[N@H+]2CC[C@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222192281 972400508 /nfs/dbraw/zinc/40/05/08/972400508.db2.gz UTFSJGWXFRMCKQ-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP CCn1cc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000693696208 959205398 /nfs/dbraw/zinc/20/53/98/959205398.db2.gz KGWPLXZDQXGRAA-KLPPZKSPSA-N 2 1 222.336 1.072 20 0 BDADMP COc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)sn1 ZINC000690757795 959224539 /nfs/dbraw/zinc/22/45/39/959224539.db2.gz WNKVABINDOWZRN-SECBINFHSA-N 2 1 241.360 1.322 20 0 BDADMP CC1(C[N@H+]2CCC[C@]23CCC[NH2+]C3)COC1 ZINC001222232905 972413072 /nfs/dbraw/zinc/41/30/72/972413072.db2.gz YOWSJWILTHHUTC-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP O=c1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc[nH]1 ZINC001222237678 972416150 /nfs/dbraw/zinc/41/61/50/972416150.db2.gz PWUMSUZOENZLMA-AWEZNQCLSA-N 2 1 247.342 1.505 20 0 BDADMP O=c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc[nH]1 ZINC001222237678 972416160 /nfs/dbraw/zinc/41/61/60/972416160.db2.gz PWUMSUZOENZLMA-AWEZNQCLSA-N 2 1 247.342 1.505 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC([NH3+])C1 ZINC000693820684 959396409 /nfs/dbraw/zinc/39/64/09/959396409.db2.gz JLDWQTHUALSBJR-QANAZDBMSA-N 2 1 230.302 1.699 20 0 BDADMP CCN(CC[NH+](C)C)Cc1[nH]c(C)[nH+]c1C ZINC000724777874 959446392 /nfs/dbraw/zinc/44/63/92/959446392.db2.gz LQVGRFBFHSQCNX-UHFFFAOYSA-N 2 1 224.352 1.410 20 0 BDADMP Cc1[nH]c(CN(C)C[C@@H]2CCC[NH2+]2)c(C)[nH+]1 ZINC000724788653 959521390 /nfs/dbraw/zinc/52/13/90/959521390.db2.gz OXEYHPKDEQRLQP-NSHDSACASA-N 2 1 222.336 1.210 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccnn1C ZINC000693909416 959533208 /nfs/dbraw/zinc/53/32/08/959533208.db2.gz GOUILVGXKUQLQM-VXGBXAGGSA-N 2 1 236.363 1.555 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccnn1C ZINC000693909416 959533212 /nfs/dbraw/zinc/53/32/12/959533212.db2.gz GOUILVGXKUQLQM-VXGBXAGGSA-N 2 1 236.363 1.555 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307871 972437841 /nfs/dbraw/zinc/43/78/41/972437841.db2.gz CUHAPJOQVRFBNL-CYBMUJFWSA-N 3 1 225.380 1.204 20 0 BDADMP C[NH2+]CCCN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307871 972437843 /nfs/dbraw/zinc/43/78/43/972437843.db2.gz CUHAPJOQVRFBNL-CYBMUJFWSA-N 2 1 225.380 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000724826614 959797441 /nfs/dbraw/zinc/79/74/41/959797441.db2.gz YBDPNDGXXKDWEA-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708857183 959927708 /nfs/dbraw/zinc/92/77/08/959927708.db2.gz KPPHAJRQIRDFMO-WDEREUQCSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1CC[C@@H](Oc2ccc(C(=O)C[NH3+])cc2)C[NH2+]1 ZINC001218401044 960063402 /nfs/dbraw/zinc/06/34/02/960063402.db2.gz BODCFCBMQHCQGI-ZWNOBZJWSA-N 2 1 248.326 1.347 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522202 960186563 /nfs/dbraw/zinc/18/65/63/960186563.db2.gz NVCUZOAAKJNWOG-CQSZACIVSA-N 3 1 237.391 1.014 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522202 960186572 /nfs/dbraw/zinc/18/65/72/960186572.db2.gz NVCUZOAAKJNWOG-CQSZACIVSA-N 3 1 237.391 1.014 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522202 960186577 /nfs/dbraw/zinc/18/65/77/960186577.db2.gz NVCUZOAAKJNWOG-CQSZACIVSA-N 3 1 237.391 1.014 20 0 BDADMP CN1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522202 960186582 /nfs/dbraw/zinc/18/65/82/960186582.db2.gz NVCUZOAAKJNWOG-CQSZACIVSA-N 2 1 237.391 1.014 20 0 BDADMP CN1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522202 960186588 /nfs/dbraw/zinc/18/65/88/960186588.db2.gz NVCUZOAAKJNWOG-CQSZACIVSA-N 2 1 237.391 1.014 20 0 BDADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@H]2C1 ZINC001140707916 960521205 /nfs/dbraw/zinc/52/12/05/960521205.db2.gz IMNJEHIBYBXXET-ZIAGYGMSSA-N 2 1 233.359 1.788 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccn1 ZINC000692743423 960561536 /nfs/dbraw/zinc/56/15/36/960561536.db2.gz BDGDSKAIYCQTMX-BZPMIXESSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801838 960584592 /nfs/dbraw/zinc/58/45/92/960584592.db2.gz HPHNGHXVTQMOKG-ZYHUDNBSSA-N 2 1 245.326 1.908 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801838 960584603 /nfs/dbraw/zinc/58/46/03/960584603.db2.gz HPHNGHXVTQMOKG-ZYHUDNBSSA-N 2 1 245.326 1.908 20 0 BDADMP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1O ZINC001140801796 960585732 /nfs/dbraw/zinc/58/57/32/960585732.db2.gz GAPWXLFABRXECC-TVQRCGJNSA-N 2 1 231.299 1.376 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1O ZINC001140801796 960585743 /nfs/dbraw/zinc/58/57/43/960585743.db2.gz GAPWXLFABRXECC-TVQRCGJNSA-N 2 1 231.299 1.376 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]1 ZINC000709448249 960615252 /nfs/dbraw/zinc/61/52/52/960615252.db2.gz LCVDBZASSXOCLA-KXNHARMFSA-N 2 1 208.349 1.715 20 0 BDADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000709442351 960616674 /nfs/dbraw/zinc/61/66/74/960616674.db2.gz AFOXYYIPXZCUAB-PBWFPOADSA-N 2 1 231.343 1.763 20 0 BDADMP CC[N@@H+](CCn1ccnc1)Cc1cnco1 ZINC001140933363 960709033 /nfs/dbraw/zinc/70/90/33/960709033.db2.gz UDYFZDQFACGISX-UHFFFAOYSA-N 2 1 220.276 1.393 20 0 BDADMP c1cn(C2CCN(Cc3cnco3)CC2)cn1 ZINC001140932558 960711492 /nfs/dbraw/zinc/71/14/92/960711492.db2.gz RZUITBYUFGEQHR-UHFFFAOYSA-N 2 1 232.287 1.708 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000300041043 960805596 /nfs/dbraw/zinc/80/55/96/960805596.db2.gz KIHJXYUNJOWNDB-WTUNAVPPSA-N 2 1 238.375 1.628 20 0 BDADMP [NH2+]=C(NCCCC[NH3+])Nc1c[nH]cc2ccnc1-2 ZINC001167879533 961447971 /nfs/dbraw/zinc/44/79/71/961447971.db2.gz WXQBRLBWIFZNGF-UHFFFAOYSA-N 2 1 246.318 1.238 20 0 BDADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000260456052 962145420 /nfs/dbraw/zinc/14/54/20/962145420.db2.gz INTIUZQSVOOGHS-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP FC[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000711443580 962703712 /nfs/dbraw/zinc/70/37/12/962703712.db2.gz NAPDFNBMCUCBPN-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP FC[C@@H]1CCC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000711443580 962703726 /nfs/dbraw/zinc/70/37/26/962703726.db2.gz NAPDFNBMCUCBPN-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP Nc1ccc[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154974324 962929124 /nfs/dbraw/zinc/92/91/24/962929124.db2.gz DAAWYVKVDHQTOZ-RKDXNWHRSA-N 2 1 206.293 1.346 20 0 BDADMP CC(C)(C)C(=[NH2+])Nc1cc(C2C[NH2+]C2)ncn1 ZINC001155181945 963004638 /nfs/dbraw/zinc/00/46/38/963004638.db2.gz YUOYLBDXPJFPTC-UHFFFAOYSA-N 2 1 233.319 1.599 20 0 BDADMP CC(C)N(CCC[NH3+])c1[nH+]cnc2c1ccn2C ZINC001156118550 963261506 /nfs/dbraw/zinc/26/15/06/963261506.db2.gz QDJFBSRFNQCBPT-UHFFFAOYSA-N 2 1 247.346 1.532 20 0 BDADMP C[N@@H+]1CCC[C@H](CCNc2cc(N)[nH+]cn2)C1 ZINC001156389392 963331121 /nfs/dbraw/zinc/33/11/21/963331121.db2.gz PAYNWADCEFRBGI-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2cc(N)[nH+]cn2)C1 ZINC001156389392 963331136 /nfs/dbraw/zinc/33/11/36/963331136.db2.gz PAYNWADCEFRBGI-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP C[N@H+]1CC[C@H](Nc2[nH+]ccc3[nH]ccc32)C1 ZINC001156576283 963394376 /nfs/dbraw/zinc/39/43/76/963394376.db2.gz TURDFDMGJSIVCG-VIFPVBQESA-N 2 1 216.288 1.679 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCSC2)CC1 ZINC000725613767 963590286 /nfs/dbraw/zinc/59/02/86/963590286.db2.gz KCMZRXPOSZPQFR-ZJUUUORDSA-N 2 1 200.351 1.305 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCO[C@@H](C)C1 ZINC001168073465 963605291 /nfs/dbraw/zinc/60/52/91/963605291.db2.gz CNZYRTWYKWKQBL-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCO[C@@H](C)C1 ZINC001168075992 963616061 /nfs/dbraw/zinc/61/60/61/963616061.db2.gz UUXSOXZLAQROEE-WDEREUQCSA-N 2 1 223.320 1.433 20 0 BDADMP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000689189256 963790936 /nfs/dbraw/zinc/79/09/36/963790936.db2.gz HKYPTBLYTXDERZ-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000689189256 963790945 /nfs/dbraw/zinc/79/09/45/963790945.db2.gz HKYPTBLYTXDERZ-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872145063 963882475 /nfs/dbraw/zinc/88/24/75/963882475.db2.gz NQOZBXAAHJPZHH-XQHKEYJVSA-N 2 1 240.391 1.907 20 0 BDADMP C[C@]1(C[NH3+])CCCN(c2[nH+]cccc2N)C1 ZINC001158675354 963901155 /nfs/dbraw/zinc/90/11/55/963901155.db2.gz MFNPJWJDRVHKIZ-GFCCVEGCSA-N 2 1 220.320 1.229 20 0 BDADMP Nc1ccc(NCC23CC[NH+](CC2)CC3)[nH+]c1 ZINC001158824027 963936224 /nfs/dbraw/zinc/93/62/24/963936224.db2.gz KMRLNUZFYYGCMZ-UHFFFAOYSA-N 2 1 232.331 1.562 20 0 BDADMP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001159491055 964113457 /nfs/dbraw/zinc/11/34/57/964113457.db2.gz ZSNRMRJMCXPIHK-QWRGUYRKSA-N 2 1 221.304 1.179 20 0 BDADMP CCC[N@@H+](CCC[NH3+])C1CCC([NH+](C)C)CC1 ZINC001168295249 964389579 /nfs/dbraw/zinc/38/95/79/964389579.db2.gz YRUCHRDITARSAP-UHFFFAOYSA-N 3 1 241.423 1.920 20 0 BDADMP COC[C@@H]1CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329957 964466360 /nfs/dbraw/zinc/46/63/60/964466360.db2.gz LMVYIXNKRPEOOT-BPCQOVAHSA-N 2 1 226.364 1.580 20 0 BDADMP CNc1cc[nH+]c(NCCCC[NH+](C)C)n1 ZINC001161724431 964715240 /nfs/dbraw/zinc/71/52/40/964715240.db2.gz IISMLXILIRJSCD-UHFFFAOYSA-N 2 1 223.324 1.272 20 0 BDADMP Cc1c[nH]c2nc(NCCCC[NH+](C)C)[nH+]cc12 ZINC001161725031 964716512 /nfs/dbraw/zinc/71/65/12/964716512.db2.gz TXQQPZPDAGVGLU-UHFFFAOYSA-N 2 1 247.346 1.972 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2CSC2)CC[N@H+]1C ZINC000697967394 964805131 /nfs/dbraw/zinc/80/51/31/964805131.db2.gz HQNHGOYFLRKGKX-GXSJLCMTSA-N 2 1 214.378 1.422 20 0 BDADMP Cc1[nH]c2nc[nH+]c(N[C@H]3C[C@@](C)([NH3+])C3)c2c1C ZINC001162327696 964930813 /nfs/dbraw/zinc/93/08/13/964930813.db2.gz CXTVUIXLPOLTNY-SWZMTVOYSA-N 2 1 245.330 1.866 20 0 BDADMP CC(=O)Nc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162390999 964952912 /nfs/dbraw/zinc/95/29/12/964952912.db2.gz KTDUBXQBNQFBPU-WDEREUQCSA-N 2 1 248.330 1.722 20 0 BDADMP Nc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC001162402238 964960632 /nfs/dbraw/zinc/96/06/32/964960632.db2.gz PLPNOJYLDSSTDA-IUCAKERBSA-N 2 1 206.293 1.346 20 0 BDADMP C[C@H]1CC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373374 964976352 /nfs/dbraw/zinc/97/63/52/964976352.db2.gz PVHOPRRMQPQBOU-NSHDSACASA-N 2 1 208.349 1.955 20 0 BDADMP C[C@@H]1CC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373373 964976623 /nfs/dbraw/zinc/97/66/23/964976623.db2.gz PVHOPRRMQPQBOU-LLVKDONJSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+](C)C1CCC(OC[C@@H]2CCC[N@H+]2C)CC1 ZINC001224817367 964987956 /nfs/dbraw/zinc/98/79/56/964987956.db2.gz NVYMLWIZTHQRLX-MOKVOYLWSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+]1CC[C@H](OCCC[NH+]2CCCCC2)C1 ZINC001224856115 965030543 /nfs/dbraw/zinc/03/05/43/965030543.db2.gz XEBAQHBOKAMKLY-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695736687 965072570 /nfs/dbraw/zinc/07/25/70/965072570.db2.gz HACZQHRNXNTYPW-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CCc1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)nc(C)[nH+]1 ZINC001162797193 965187754 /nfs/dbraw/zinc/18/77/54/965187754.db2.gz JYHQNIDJZGUNGH-KGYLQXTDSA-N 2 1 244.342 1.533 20 0 BDADMP Cc1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)[nH+]c1N ZINC001162983358 965219778 /nfs/dbraw/zinc/21/97/78/965219778.db2.gz DGMGUGVFSGSYPH-GXFFZTMASA-N 2 1 232.331 1.669 20 0 BDADMP Cc1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]c1 ZINC001163094156 965253164 /nfs/dbraw/zinc/25/31/64/965253164.db2.gz IAXUHMRQLHKHRL-IJLUTSLNSA-N 2 1 233.315 1.036 20 0 BDADMP Cc1cc[nH+]c(C)c1N[C@H]1COCCC12C[NH2+]C2 ZINC001163079368 965255123 /nfs/dbraw/zinc/25/51/23/965255123.db2.gz NNPHGXZVOQNRCD-LBPRGKRZSA-N 2 1 247.342 1.489 20 0 BDADMP Cc1cc[nH+]c(C)c1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163104696 965258192 /nfs/dbraw/zinc/25/81/92/965258192.db2.gz BUSSYGJRCKYWKZ-JHJVBQTASA-N 2 1 247.342 1.345 20 0 BDADMP Cc1c[nH+]cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1C ZINC001163104794 965258371 /nfs/dbraw/zinc/25/83/71/965258371.db2.gz FJMWFKHYEUWXLL-YRGRVCCFSA-N 2 1 247.342 1.345 20 0 BDADMP Cc1cc[nH+]c(C)c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163203161 965299611 /nfs/dbraw/zinc/29/96/11/965299611.db2.gz UBOMUPIZBOPGAY-DGCLKSJQSA-N 2 1 233.315 1.241 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCSC(F)(F)F)C1 ZINC000690735778 965343389 /nfs/dbraw/zinc/34/33/89/965343389.db2.gz HRDFIRAGQXCIHI-QMMMGPOBSA-N 2 1 242.310 1.910 20 0 BDADMP C[C@@]1(C(F)F)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000698767767 965498033 /nfs/dbraw/zinc/49/80/33/965498033.db2.gz UZHZSUNEBMUERX-NGZCFLSTSA-N 2 1 234.290 1.080 20 0 BDADMP CCCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000714971418 965573602 /nfs/dbraw/zinc/57/36/02/965573602.db2.gz HCURFBJJHFOCNE-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1cc(NC2CC2)nc(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC001163770568 965574275 /nfs/dbraw/zinc/57/42/75/965574275.db2.gz NEFTZTQZSBRBDW-JTQLQIEISA-N 2 1 249.362 1.721 20 0 BDADMP Cc1[nH+]ccn1CCNc1ccnc(C[NH3+])c1 ZINC001163929639 965641007 /nfs/dbraw/zinc/64/10/07/965641007.db2.gz VENOKXJKUKATRZ-UHFFFAOYSA-N 2 1 231.303 1.157 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093618 965715620 /nfs/dbraw/zinc/71/56/20/965715620.db2.gz CMIHTGFCNAPJQU-GFCCVEGCSA-N 2 1 236.363 1.777 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093618 965715633 /nfs/dbraw/zinc/71/56/33/965715633.db2.gz CMIHTGFCNAPJQU-GFCCVEGCSA-N 2 1 236.363 1.777 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC001205093556 965717700 /nfs/dbraw/zinc/71/77/00/965717700.db2.gz BNBASHPILPIYLP-NSHDSACASA-N 2 1 246.314 1.536 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205094789 965728171 /nfs/dbraw/zinc/72/81/71/965728171.db2.gz PMNOEZXTJFWUDS-RYUDHWBXSA-N 2 1 210.321 1.492 20 0 BDADMP COCC[N@@H+](CCF)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699280628 965830226 /nfs/dbraw/zinc/83/02/26/965830226.db2.gz BNPQARRDEGOPKO-YHWZYXNKSA-N 2 1 244.354 1.435 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000699491952 965917055 /nfs/dbraw/zinc/91/70/55/965917055.db2.gz HNRLJIILCPVVKQ-RISCZKNCSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)[N@H+]1CCN(c2cc(N)cc[nH+]2)C[C@H]1C ZINC001165199191 965979217 /nfs/dbraw/zinc/97/92/17/965979217.db2.gz XDOXCIZFMLLUEI-LLVKDONJSA-N 2 1 234.347 1.583 20 0 BDADMP CS[C@H](C)CC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166356 966020953 /nfs/dbraw/zinc/02/09/53/966020953.db2.gz RTDFIFDCDBFPCF-OUAUKWLOSA-N 2 1 214.378 1.551 20 0 BDADMP CS[C@H](C)CC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166356 966020969 /nfs/dbraw/zinc/02/09/69/966020969.db2.gz RTDFIFDCDBFPCF-OUAUKWLOSA-N 2 1 214.378 1.551 20 0 BDADMP C[N@@H+]1CCC[C@H](CCNc2ccc(N)[nH+]c2)C1 ZINC001165278806 966024746 /nfs/dbraw/zinc/02/47/46/966024746.db2.gz MMJMDSFFJSGMHB-LLVKDONJSA-N 2 1 234.347 1.808 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2ccc(N)[nH+]c2)C1 ZINC001165278806 966024760 /nfs/dbraw/zinc/02/47/60/966024760.db2.gz MMJMDSFFJSGMHB-LLVKDONJSA-N 2 1 234.347 1.808 20 0 BDADMP Cc1cc[nH+]c(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001165286344 966031910 /nfs/dbraw/zinc/03/19/10/966031910.db2.gz BTFFCOBIQPWPNY-CHWSQXEVSA-N 2 1 247.342 1.205 20 0 BDADMP Cc1cc[nH+]c(N2CCC(C3C[NH2+]C3)CC2)c1 ZINC001165409103 966097106 /nfs/dbraw/zinc/09/71/06/966097106.db2.gz ROFXNAGISQCEMB-UHFFFAOYSA-N 2 1 231.343 1.826 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000253172187 966218326 /nfs/dbraw/zinc/21/83/26/966218326.db2.gz JRCSPFCDEYIWIL-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP CC1(C)C[C@H](C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CCO1 ZINC001236017747 966227325 /nfs/dbraw/zinc/22/73/25/966227325.db2.gz SXSJUACPGKMXNC-NQBHXWOUSA-N 2 1 224.348 1.225 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CCO1 ZINC001236017747 966227340 /nfs/dbraw/zinc/22/73/40/966227340.db2.gz SXSJUACPGKMXNC-NQBHXWOUSA-N 2 1 224.348 1.225 20 0 BDADMP CCOC(=O)CCCCCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236170677 966290469 /nfs/dbraw/zinc/29/04/69/966290469.db2.gz YMKCHEKSYLNXLA-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CCCCCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236170677 966290488 /nfs/dbraw/zinc/29/04/88/966290488.db2.gz YMKCHEKSYLNXLA-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP C[N@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216647 966313746 /nfs/dbraw/zinc/31/37/46/966313746.db2.gz LEEMBQQYGJUQEM-CABCVRRESA-N 3 1 247.386 1.847 20 0 BDADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216647 966313754 /nfs/dbraw/zinc/31/37/54/966313754.db2.gz LEEMBQQYGJUQEM-CABCVRRESA-N 3 1 247.386 1.847 20 0 BDADMP CCc1[nH]c(CN2CCC[C@@H]2C[NH3+])c(C)[nH+]1 ZINC001236242995 966316264 /nfs/dbraw/zinc/31/62/64/966316264.db2.gz SWHZAMXYGYDOKY-SNVBAGLBSA-N 2 1 222.336 1.204 20 0 BDADMP C1=C2NCC[N@H+](CC3CC[NH2+]CC3)[C@H]2CCC1 ZINC001237220380 966648706 /nfs/dbraw/zinc/64/87/06/966648706.db2.gz QVSBHGCALOGUQR-AWEZNQCLSA-N 2 1 235.375 1.328 20 0 BDADMP CCOC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380660 966654934 /nfs/dbraw/zinc/65/49/34/966654934.db2.gz GQCMYQMRKOZTMV-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380660 966654950 /nfs/dbraw/zinc/65/49/50/966654950.db2.gz GQCMYQMRKOZTMV-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@H]2C1 ZINC001204011163 966851858 /nfs/dbraw/zinc/85/18/58/966851858.db2.gz VZWGVMAKYPJDRU-TXEJJXNPSA-N 2 1 219.332 1.398 20 0 BDADMP CCC1(Nc2cccc(C(=[NH2+])OC)c2)C[NH2+]C1 ZINC001168581998 966919343 /nfs/dbraw/zinc/91/93/43/966919343.db2.gz DAKFBRAUZXWSRE-UHFFFAOYSA-N 2 1 233.315 1.822 20 0 BDADMP CCC[NH+](CCC)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204611572 967102969 /nfs/dbraw/zinc/10/29/69/967102969.db2.gz URZVSVVZZOMGGJ-NSHDSACASA-N 2 1 214.353 1.833 20 0 BDADMP COC1CCC(C[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204763935 967150695 /nfs/dbraw/zinc/15/06/95/967150695.db2.gz TZLQMNSZHOLLPE-WXRRBKDZSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@@H+](CC(=O)OC)CC1CC[NH+](CC)CC1 ZINC001204784892 967164725 /nfs/dbraw/zinc/16/47/25/967164725.db2.gz VZAHTWVUDARUJF-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@H+](CC(=O)OC)CC1CC[NH+](CC)CC1 ZINC001204784892 967164740 /nfs/dbraw/zinc/16/47/40/967164740.db2.gz VZAHTWVUDARUJF-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP Cc1cc([C@H]2CCC[N@H+]2CCCC[NH3+])no1 ZINC001204847461 967194054 /nfs/dbraw/zinc/19/40/54/967194054.db2.gz BHKFEHRZBNWNST-GFCCVEGCSA-N 2 1 223.320 1.859 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001204847548 967196775 /nfs/dbraw/zinc/19/67/75/967196775.db2.gz CGGYHVKUNCJOGB-RYUDHWBXSA-N 2 1 224.348 1.559 20 0 BDADMP C[N@@H+](CC1CC(O)C1)CC1CC[NH+](C)CC1 ZINC000691351997 967261023 /nfs/dbraw/zinc/26/10/23/967261023.db2.gz UPGKZPIZICYECT-UHFFFAOYSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H]1O ZINC000691350802 967263288 /nfs/dbraw/zinc/26/32/88/967263288.db2.gz QTKXDFXUDDVWTL-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205069055 967329005 /nfs/dbraw/zinc/32/90/05/967329005.db2.gz STLCFUFIWPKLPE-FZMZJTMJSA-N 2 1 233.359 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205069055 967329010 /nfs/dbraw/zinc/32/90/10/967329010.db2.gz STLCFUFIWPKLPE-FZMZJTMJSA-N 2 1 233.359 1.457 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205069055 967329028 /nfs/dbraw/zinc/32/90/28/967329028.db2.gz STLCFUFIWPKLPE-FZMZJTMJSA-N 3 1 233.359 1.457 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205069055 967329037 /nfs/dbraw/zinc/32/90/37/967329037.db2.gz STLCFUFIWPKLPE-FZMZJTMJSA-N 3 1 233.359 1.457 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205093774 967339858 /nfs/dbraw/zinc/33/98/58/967339858.db2.gz GARWKWHOCYTZDR-LLVKDONJSA-N 2 1 220.320 1.098 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205093774 967339867 /nfs/dbraw/zinc/33/98/67/967339867.db2.gz GARWKWHOCYTZDR-LLVKDONJSA-N 2 1 220.320 1.098 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnn3ccccc23)CC1 ZINC001205117762 967364519 /nfs/dbraw/zinc/36/45/19/967364519.db2.gz UMCPSBKYMYRSQE-ZDUSSCGKSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(CCO)cc2)CC1 ZINC001205116670 967367549 /nfs/dbraw/zinc/36/75/49/967367549.db2.gz GDGJJXYQFJKDTR-OAHLLOKOSA-N 2 1 248.370 1.535 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124239 967368736 /nfs/dbraw/zinc/36/87/36/967368736.db2.gz MDCJGLBLPCZXIS-NSHDSACASA-N 2 1 222.336 1.285 20 0 BDADMP COc1ccoc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205151173 967394607 /nfs/dbraw/zinc/39/46/07/967394607.db2.gz QXLFBGWRHSUOEE-VHSXEESVSA-N 2 1 224.304 1.315 20 0 BDADMP COc1ccoc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205151173 967394614 /nfs/dbraw/zinc/39/46/14/967394614.db2.gz QXLFBGWRHSUOEE-VHSXEESVSA-N 2 1 224.304 1.315 20 0 BDADMP C[C@H]1C[C@@H](CO)C[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359756 967401603 /nfs/dbraw/zinc/40/16/03/967401603.db2.gz NMPXFWMZAYUTAM-GXTWGEPZSA-N 2 1 240.391 1.279 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCCC2(C)C)O1 ZINC001205171074 967409377 /nfs/dbraw/zinc/40/93/77/967409377.db2.gz JRUFMIAOERMGOR-JTQLQIEISA-N 2 1 212.337 1.585 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCCC2(C)C)O1 ZINC001205171074 967409385 /nfs/dbraw/zinc/40/93/85/967409385.db2.gz JRUFMIAOERMGOR-JTQLQIEISA-N 2 1 212.337 1.585 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205263902 967457122 /nfs/dbraw/zinc/45/71/22/967457122.db2.gz FNNRBICWPGKGRN-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205263902 967457130 /nfs/dbraw/zinc/45/71/30/967457130.db2.gz FNNRBICWPGKGRN-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205264797 967457493 /nfs/dbraw/zinc/45/74/93/967457493.db2.gz MSAMNOWGETWARE-GFCCVEGCSA-N 2 1 222.336 1.421 20 0 BDADMP Cn1cncc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205263625 967458441 /nfs/dbraw/zinc/45/84/41/967458441.db2.gz AVKWQSKYTVAMLF-GFCCVEGCSA-N 2 1 222.336 1.123 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205263625 967458444 /nfs/dbraw/zinc/45/84/44/967458444.db2.gz AVKWQSKYTVAMLF-GFCCVEGCSA-N 2 1 222.336 1.123 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(C[NH3+])c2)CC1 ZINC001205288945 967483487 /nfs/dbraw/zinc/48/34/87/967483487.db2.gz QLQKCLCRTGWPOE-HNNXBMFYSA-N 3 1 247.386 1.849 20 0 BDADMP C[C@]1([NH3+])CCCN(Cc2cccc(C[NH3+])c2)CC1 ZINC001205288945 967483506 /nfs/dbraw/zinc/48/35/06/967483506.db2.gz QLQKCLCRTGWPOE-HNNXBMFYSA-N 2 1 247.386 1.849 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693880240 967590598 /nfs/dbraw/zinc/59/05/98/967590598.db2.gz WABPEDCATMTWRP-XQQFMLRXSA-N 2 1 239.407 1.589 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690314833 967693497 /nfs/dbraw/zinc/69/34/97/967693497.db2.gz PRKZNQLMXKCTAF-VXGBXAGGSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cncnc2)CC1 ZINC001205558809 967696159 /nfs/dbraw/zinc/69/61/59/967696159.db2.gz IXGRKVNVUORGSX-GFCCVEGCSA-N 2 1 238.310 1.130 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cnco2)CC1 ZINC001205570080 967700277 /nfs/dbraw/zinc/70/02/77/967700277.db2.gz FCTXCYFOGXWXOY-LLVKDONJSA-N 2 1 227.283 1.328 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cn(C)cn2)CC[C@@H]1C[NH3+] ZINC001205602637 967717218 /nfs/dbraw/zinc/71/72/18/967717218.db2.gz KUCNJDUXZGVSEK-NWDGAFQWSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1CC[N@@H+](CCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205603630 967717877 /nfs/dbraw/zinc/71/78/77/967717877.db2.gz RIKVDRRUICXEPC-NWDGAFQWSA-N 3 1 213.369 1.032 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)[nH]n1 ZINC001205603032 967718025 /nfs/dbraw/zinc/71/80/25/967718025.db2.gz NAUANJDNHJGTHH-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)n[nH]1 ZINC001205603032 967718033 /nfs/dbraw/zinc/71/80/33/967718033.db2.gz NAUANJDNHJGTHH-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)n[nH]1 ZINC001205603032 967718042 /nfs/dbraw/zinc/71/80/42/967718042.db2.gz NAUANJDNHJGTHH-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC001205603008 967720235 /nfs/dbraw/zinc/72/02/35/967720235.db2.gz MQXAESKZCAYQIW-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ncccc2O)CC[C@@H]1C[NH3+] ZINC001205616030 967727299 /nfs/dbraw/zinc/72/72/99/967727299.db2.gz BWUNJFUEMVBIQF-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncccc2O)CC[C@@H]1C[NH3+] ZINC001205616030 967727305 /nfs/dbraw/zinc/72/73/05/967727305.db2.gz BWUNJFUEMVBIQF-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP Cc1nccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205618403 967728289 /nfs/dbraw/zinc/72/82/89/967728289.db2.gz VTDZUAHQULKGDM-DGCLKSJQSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CC[C@@H]1C[NH3+] ZINC001205618912 967730693 /nfs/dbraw/zinc/73/06/93/967730693.db2.gz ZCTMFQGKGYHWKX-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CCc2ccccc2)C1 ZINC001205663379 967747301 /nfs/dbraw/zinc/74/73/01/967747301.db2.gz IVBRDQDTPNHBSS-OAHLLOKOSA-N 2 1 248.370 1.405 20 0 BDADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H](C)OC ZINC001205692063 967782339 /nfs/dbraw/zinc/78/23/39/967782339.db2.gz BETUCQLXDUWILX-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](Nc2cc3c(c[nH+]2)CC(=O)N3)C1 ZINC001162396342 967826714 /nfs/dbraw/zinc/82/67/14/967826714.db2.gz YPPGWJSYZARCFS-ZJUUUORDSA-N 2 1 246.314 1.258 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@](C)(F)CC2)O1 ZINC001205855873 967856488 /nfs/dbraw/zinc/85/64/88/967856488.db2.gz PYPHTWAFXCCOBP-AAEUAGOBSA-N 2 1 244.354 1.925 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@](C)(F)CC2)O1 ZINC001205855873 967856490 /nfs/dbraw/zinc/85/64/90/967856490.db2.gz PYPHTWAFXCCOBP-AAEUAGOBSA-N 2 1 244.354 1.925 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001205057963 967858843 /nfs/dbraw/zinc/85/88/43/967858843.db2.gz BGLAWJKHTNSZMA-UHFFFAOYSA-N 3 1 244.342 1.505 20 0 BDADMP CCc1[nH]c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC001205863416 967863475 /nfs/dbraw/zinc/86/34/75/967863475.db2.gz RJXUZZWPRJDXSX-KOLCDFICSA-N 2 1 236.363 1.450 20 0 BDADMP CC(C)(C)C(=[NH2+])Nc1ccc2c(n1)OCC[NH2+]C2 ZINC001162657246 967883735 /nfs/dbraw/zinc/88/37/35/967883735.db2.gz JJSJMGQKAJFNKU-UHFFFAOYSA-N 2 1 248.330 1.999 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C)c1 ZINC001205946875 967897536 /nfs/dbraw/zinc/89/75/36/967897536.db2.gz RWZALJLTNPJUCQ-HUUCEWRRSA-N 2 1 248.370 1.506 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@]1(C)CO ZINC000694672249 967912072 /nfs/dbraw/zinc/91/20/72/967912072.db2.gz JJOADEWAMZUFSJ-GXTWGEPZSA-N 2 1 240.391 1.279 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C[C@H]1O ZINC001205973444 967924464 /nfs/dbraw/zinc/92/44/64/967924464.db2.gz SXDVBLKNFTXWDZ-CHWSQXEVSA-N 2 1 246.310 1.327 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cn[nH]c2)CCC[C@H]1C[NH3+] ZINC001205981822 967924847 /nfs/dbraw/zinc/92/48/47/967924847.db2.gz HPPWMDDSTCGRHO-JQWIXIFHSA-N 2 1 222.336 1.217 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205985322 967932157 /nfs/dbraw/zinc/93/21/57/967932157.db2.gz XIQFNOSJPFAXCK-NWDGAFQWSA-N 2 1 242.363 1.246 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)co1 ZINC001205992545 967940917 /nfs/dbraw/zinc/94/09/17/967940917.db2.gz FFOMAJGNAAAODP-CMPLNLGQSA-N 2 1 237.347 1.790 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncccc2[O-])CCC[C@H]1C[NH3+] ZINC001205992593 967941183 /nfs/dbraw/zinc/94/11/83/967941183.db2.gz FPFBQOLPXOQBMA-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ncccc2O)CCC[C@H]1C[NH3+] ZINC001205992593 967941200 /nfs/dbraw/zinc/94/12/00/967941200.db2.gz FPFBQOLPXOQBMA-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncccc2O)CCC[C@H]1C[NH3+] ZINC001205992593 967941214 /nfs/dbraw/zinc/94/12/14/967941214.db2.gz FPFBQOLPXOQBMA-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncn2)CCC[C@@H]1C[NH3+] ZINC001206003899 967957368 /nfs/dbraw/zinc/95/73/68/967957368.db2.gz NKHFSXQWGAPMEU-NWDGAFQWSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccns2)CCC[C@H]1C[NH3+] ZINC001206012390 967968737 /nfs/dbraw/zinc/96/87/37/967968737.db2.gz LAIISDODMSMKPU-QWRGUYRKSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001206049030 968012555 /nfs/dbraw/zinc/01/25/55/968012555.db2.gz HDHYCHIFPJDJRZ-GRYCIOLGSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001206049031 968016354 /nfs/dbraw/zinc/01/63/54/968016354.db2.gz HDHYCHIFPJDJRZ-IJLUTSLNSA-N 2 1 226.364 1.471 20 0 BDADMP Cc1nc(C[NH+]2CCC3(C[NH+](C)C3)CC2)co1 ZINC001206080879 968048782 /nfs/dbraw/zinc/04/87/82/968048782.db2.gz HGFNILOQUZHZKS-UHFFFAOYSA-N 2 1 235.331 1.511 20 0 BDADMP CC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156998 968084135 /nfs/dbraw/zinc/08/41/35/968084135.db2.gz VMHRIGCGEHAXKN-DCAQKATOSA-N 2 1 202.317 1.794 20 0 BDADMP CC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156998 968084146 /nfs/dbraw/zinc/08/41/46/968084146.db2.gz VMHRIGCGEHAXKN-DCAQKATOSA-N 2 1 202.317 1.794 20 0 BDADMP N[C@H]1CC[N@@H+](Cc2ccc[nH]c2=O)CC[C@@H]1F ZINC001206167033 968101487 /nfs/dbraw/zinc/10/14/87/968101487.db2.gz WETNCQONGVVXKV-QWRGUYRKSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccc[nH]c2=O)CC[C@@H]1F ZINC001206167033 968101499 /nfs/dbraw/zinc/10/14/99/968101499.db2.gz WETNCQONGVVXKV-QWRGUYRKSA-N 2 1 239.294 1.048 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001118369016 968131118 /nfs/dbraw/zinc/13/11/18/968131118.db2.gz WGMAZKGNTKLEEJ-CQSZACIVSA-N 2 1 249.358 1.200 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001118369016 968131132 /nfs/dbraw/zinc/13/11/32/968131132.db2.gz WGMAZKGNTKLEEJ-CQSZACIVSA-N 2 1 249.358 1.200 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)CCN3)C1 ZINC001206276507 968190607 /nfs/dbraw/zinc/19/06/07/968190607.db2.gz FJKCNRNUBOQXLU-GFCCVEGCSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)CCN3)C1 ZINC001206276507 968190613 /nfs/dbraw/zinc/19/06/13/968190613.db2.gz FJKCNRNUBOQXLU-GFCCVEGCSA-N 2 1 245.370 1.696 20 0 BDADMP CCOC(=O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206294041 968203808 /nfs/dbraw/zinc/20/38/08/968203808.db2.gz ITNCWMXZNCFAQE-LBPRGKRZSA-N 2 1 228.336 1.000 20 0 BDADMP C[C@@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001206379627 968266835 /nfs/dbraw/zinc/26/68/35/968266835.db2.gz JHIHIJYZPZWPFP-GFCCVEGCSA-N 2 1 237.391 1.060 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001206379627 968266843 /nfs/dbraw/zinc/26/68/43/968266843.db2.gz JHIHIJYZPZWPFP-GFCCVEGCSA-N 2 1 237.391 1.060 20 0 BDADMP C[C@H](C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1)c1ccccc1 ZINC001206511819 968344199 /nfs/dbraw/zinc/34/41/99/968344199.db2.gz CKTICMCSWGAUAK-XBFCOCLRSA-N 2 1 234.343 1.042 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3occc3c2)C[C@@H]1O ZINC001206519189 968352086 /nfs/dbraw/zinc/35/20/86/968352086.db2.gz JQOVCKBDWDXUEY-STQMWFEESA-N 2 1 246.310 1.184 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3occc3c2)C[C@@H]1O ZINC001206519189 968352094 /nfs/dbraw/zinc/35/20/94/968352094.db2.gz JQOVCKBDWDXUEY-STQMWFEESA-N 2 1 246.310 1.184 20 0 BDADMP COC(C[N@H+]1CCCC[C@@](C)(C[NH3+])C1)OC ZINC001206541298 968365196 /nfs/dbraw/zinc/36/51/96/968365196.db2.gz GIOQWMLAIKYTQH-LBPRGKRZSA-N 2 1 230.352 1.056 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001206542185 968365441 /nfs/dbraw/zinc/36/54/41/968365441.db2.gz UNKLUCSFJRONIV-STQMWFEESA-N 2 1 226.364 1.474 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001206542184 968368952 /nfs/dbraw/zinc/36/89/52/968368952.db2.gz UNKLUCSFJRONIV-QWHCGFSZSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccnnc2)C1 ZINC001206556242 968378352 /nfs/dbraw/zinc/37/83/52/968378352.db2.gz PFIWFLCUXCAVNV-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccnnc2)C1 ZINC001206556242 968378357 /nfs/dbraw/zinc/37/83/57/968378357.db2.gz PFIWFLCUXCAVNV-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP Cn1cccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606551 968402334 /nfs/dbraw/zinc/40/23/34/968402334.db2.gz PEGGRFXAQDIHQR-GFCCVEGCSA-N 2 1 221.348 1.586 20 0 BDADMP CN(C[C@@H]1CC[NH2+]C1)c1[nH+]cnc2c1ccn2C ZINC001166954556 968406103 /nfs/dbraw/zinc/40/61/03/968406103.db2.gz CRPSXARGXFJXFD-SNVBAGLBSA-N 2 1 245.330 1.014 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccnc2F)C1 ZINC001206616928 968418745 /nfs/dbraw/zinc/41/87/45/968418745.db2.gz ULCHMPGFAQSWMW-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccnc2F)C1 ZINC001206616928 968418749 /nfs/dbraw/zinc/41/87/49/968418749.db2.gz ULCHMPGFAQSWMW-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cnco2)C1 ZINC001206624596 968422638 /nfs/dbraw/zinc/42/26/38/968422638.db2.gz WXMSTPNXQUZXKJ-JTQLQIEISA-N 2 1 209.293 1.235 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cnco2)C1 ZINC001206624596 968422649 /nfs/dbraw/zinc/42/26/49/968422649.db2.gz WXMSTPNXQUZXKJ-JTQLQIEISA-N 2 1 209.293 1.235 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc[nH]c2)C1 ZINC001206624313 968423395 /nfs/dbraw/zinc/42/33/95/968423395.db2.gz UDVYWSOORLZIMJ-NSHDSACASA-N 2 1 207.321 1.576 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc[nH]c2)C1 ZINC001206624312 968424526 /nfs/dbraw/zinc/42/45/26/968424526.db2.gz UDVYWSOORLZIMJ-LLVKDONJSA-N 2 1 207.321 1.576 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccnn2)C1 ZINC001206622555 968424738 /nfs/dbraw/zinc/42/47/38/968424738.db2.gz FQWBMRFGHPMMQS-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccnn2)C1 ZINC001206622555 968424748 /nfs/dbraw/zinc/42/47/48/968424748.db2.gz FQWBMRFGHPMMQS-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP CC[C@@H](C[NH2+]C1CCOCC1)[NH+]1CCCC1 ZINC000164425190 968518927 /nfs/dbraw/zinc/51/89/27/968518927.db2.gz KGDFXDOBJXTJGY-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252108791 968592795 /nfs/dbraw/zinc/59/27/95/968592795.db2.gz SLJMNSJFUZEIHP-CRWXNKLISA-N 2 1 240.391 1.752 20 0 BDADMP Cc1nonc1[C@H](C)NCCn1cc[nH+]c1C ZINC000825284209 968637806 /nfs/dbraw/zinc/63/78/06/968637806.db2.gz VCKJMKUIQFNRLM-QMMMGPOBSA-N 2 1 235.291 1.234 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207274472 968705383 /nfs/dbraw/zinc/70/53/83/968705383.db2.gz CTYMSIKKCCIFMI-NEPJUHHUSA-N 2 1 228.380 1.277 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH+]1CC2(C1)CCCOC2 ZINC001207278717 968712429 /nfs/dbraw/zinc/71/24/29/968712429.db2.gz COMGPZGBBPXSST-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@]23CCOC3)CC1 ZINC001207398635 968741405 /nfs/dbraw/zinc/74/14/05/968741405.db2.gz FCZQHSLLGCDVRI-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001207391663 968744858 /nfs/dbraw/zinc/74/48/58/968744858.db2.gz KSJUXIYTDPPDQY-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP F[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]2C[C@@H]21 ZINC001207436261 968768493 /nfs/dbraw/zinc/76/84/93/968768493.db2.gz ZCEAMLPJWVZVHI-SDDRHHMPSA-N 2 1 212.312 1.276 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001207436506 968770419 /nfs/dbraw/zinc/77/04/19/968770419.db2.gz KULRJBCZPLIRCD-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP c1cnc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207440674 968775098 /nfs/dbraw/zinc/77/50/98/968775098.db2.gz BSPWHXMIMWQGPT-UHFFFAOYSA-N 2 1 231.343 1.439 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001207479759 968793730 /nfs/dbraw/zinc/79/37/30/968793730.db2.gz MYQMOLUBOXYVPR-CHWSQXEVSA-N 2 1 244.354 1.123 20 0 BDADMP CC[N@@H+](CCC1CC[NH+](C)CC1)CC(C)(C)O ZINC001207486975 968796355 /nfs/dbraw/zinc/79/63/55/968796355.db2.gz PLAFPXSTXHZZBP-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+]1CCC(CC[NH+]2CC3(C2)CCCO3)CC1 ZINC001207482621 968797324 /nfs/dbraw/zinc/79/73/24/968797324.db2.gz ZFXFUEOZLONEOX-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207487656 968801742 /nfs/dbraw/zinc/80/17/42/968801742.db2.gz PYGRVVUIRSNUCB-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP Cn1ccc2c1nc[nH+]c2N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154974218 968823684 /nfs/dbraw/zinc/82/36/84/968823684.db2.gz BWRCFXGCNLZETJ-UWVGGRQHSA-N 2 1 245.330 1.650 20 0 BDADMP C[NH+](C)CCC[N@H+](C)C[C@H]1CCCO1 ZINC000336670426 968824715 /nfs/dbraw/zinc/82/47/15/968824715.db2.gz GRVMIGWKNYUENE-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1CCCO1 ZINC000336670426 968824723 /nfs/dbraw/zinc/82/47/23/968824723.db2.gz GRVMIGWKNYUENE-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000829274888 968825264 /nfs/dbraw/zinc/82/52/64/968825264.db2.gz IFVZBKLZUZTLMK-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP COC(=O)C1(C)CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001168771237 968835301 /nfs/dbraw/zinc/83/53/01/968835301.db2.gz UZADSUUYPOOXAA-UHFFFAOYSA-N 2 1 240.347 1.189 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001207836542 968895637 /nfs/dbraw/zinc/89/56/37/968895637.db2.gz IYUFUFQXYOKIMD-UJOWSUJOSA-N 2 1 234.387 1.962 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207894599 968920046 /nfs/dbraw/zinc/92/00/46/968920046.db2.gz QWVCVSOXJLVYMQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207894599 968920054 /nfs/dbraw/zinc/92/00/54/968920054.db2.gz QWVCVSOXJLVYMQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207894599 968920064 /nfs/dbraw/zinc/92/00/64/968920064.db2.gz QWVCVSOXJLVYMQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+](CC1(C)COC1)CC1(C)CC[NH+](C)CC1 ZINC001208114058 969009726 /nfs/dbraw/zinc/00/97/26/969009726.db2.gz QODUIRCOFFEYSO-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@H+]1CCC=C(c2ccc3c(n2)C[NH2+]CC3)C1 ZINC001241567187 969059319 /nfs/dbraw/zinc/05/93/19/969059319.db2.gz PLUCAZTWNVJFHF-UHFFFAOYSA-N 2 1 229.327 1.446 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C(C)(C)CC(C)=O ZINC001253213596 969111633 /nfs/dbraw/zinc/11/16/33/969111633.db2.gz NEMFOGDXOAFSJL-LBPRGKRZSA-N 2 1 244.379 1.036 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185043 969117394 /nfs/dbraw/zinc/11/73/94/969117394.db2.gz URXRYFQATQIZPT-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)CC1(C[NH+]2CC(C)(CO)C2)CCCC1 ZINC001208184963 969118034 /nfs/dbraw/zinc/11/80/34/969118034.db2.gz RKCXLQVDARZVRS-UHFFFAOYSA-N 2 1 240.391 1.423 20 0 BDADMP C[N@@H+]1C[C@H]2CN(CCc3cccc(F)c3)C[C@H]2C1 ZINC001208199535 969125164 /nfs/dbraw/zinc/12/51/64/969125164.db2.gz RXAZITVZPYFTJL-OKILXGFUSA-N 2 1 248.345 1.862 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3cccc(F)c3)C[C@@H]2C1 ZINC001208199535 969125183 /nfs/dbraw/zinc/12/51/83/969125183.db2.gz RXAZITVZPYFTJL-OKILXGFUSA-N 2 1 248.345 1.862 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCc3cccc(F)c3)C[C@@H]2C1 ZINC001208199535 969125186 /nfs/dbraw/zinc/12/51/86/969125186.db2.gz RXAZITVZPYFTJL-OKILXGFUSA-N 2 1 248.345 1.862 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C(C)=O)C2)CC1 ZINC001208603188 969149085 /nfs/dbraw/zinc/14/90/85/969149085.db2.gz VWRUDRBREQRMQG-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)Cc2cnccn2)CC1 ZINC001208597049 969151291 /nfs/dbraw/zinc/15/12/91/969151291.db2.gz BFDBXCOIFPYFMO-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2(CC2)C1 ZINC001253396331 969153251 /nfs/dbraw/zinc/15/32/51/969153251.db2.gz WVOXIXIBUKIOND-VXGBXAGGSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@]3(CCOC3)C2)C1 ZINC001208605191 969158086 /nfs/dbraw/zinc/15/80/86/969158086.db2.gz ALVOHTUVMOTEEL-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC001208605191 969158089 /nfs/dbraw/zinc/15/80/89/969158089.db2.gz ALVOHTUVMOTEEL-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC001208605191 969158091 /nfs/dbraw/zinc/15/80/91/969158091.db2.gz ALVOHTUVMOTEEL-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H](O)C2)C1 ZINC001208607657 969160982 /nfs/dbraw/zinc/16/09/82/969160982.db2.gz MLWXGMJSNYTBFU-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H](O)C2)C1 ZINC001208607657 969160990 /nfs/dbraw/zinc/16/09/90/969160990.db2.gz MLWXGMJSNYTBFU-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H](O)C2)C1 ZINC001208607657 969160995 /nfs/dbraw/zinc/16/09/95/969160995.db2.gz MLWXGMJSNYTBFU-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CC/C=C/[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253407190 969162640 /nfs/dbraw/zinc/16/26/40/969162640.db2.gz HDHHSCPPWXRQHY-FGEFZZPRSA-N 2 1 200.326 1.249 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001208606880 969162737 /nfs/dbraw/zinc/16/27/37/969162737.db2.gz IQRKVJYDEYYRSM-UTUOFQBUSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001208606880 969162745 /nfs/dbraw/zinc/16/27/45/969162745.db2.gz IQRKVJYDEYYRSM-UTUOFQBUSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001208606880 969162754 /nfs/dbraw/zinc/16/27/54/969162754.db2.gz IQRKVJYDEYYRSM-UTUOFQBUSA-N 2 1 244.329 1.915 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH+](C)C1 ZINC001208606737 969162857 /nfs/dbraw/zinc/16/28/57/969162857.db2.gz GTYYZVCLFZZMCL-MJBXVCDLSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@H]1CCC[N@H+](C)C1 ZINC001208606737 969162867 /nfs/dbraw/zinc/16/28/67/969162867.db2.gz GTYYZVCLFZZMCL-MJBXVCDLSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@H]1CCC[N@@H+](C)C1 ZINC001208606737 969162870 /nfs/dbraw/zinc/16/28/70/969162870.db2.gz GTYYZVCLFZZMCL-MJBXVCDLSA-N 2 1 239.407 1.353 20 0 BDADMP CO[C@H](C)C1C[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208616562 969169671 /nfs/dbraw/zinc/16/96/71/969169671.db2.gz KFVSRPZORIOAKR-NEPJUHHUSA-N 2 1 226.364 1.295 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CC([NH+]3CCCC3)C2)C1 ZINC001208609718 969173645 /nfs/dbraw/zinc/17/36/45/969173645.db2.gz WRPUBDFIYNSJSG-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP CC(C)[C@@H]1COCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208613425 969173769 /nfs/dbraw/zinc/17/37/69/969173769.db2.gz UAEWKEOYSBLPLY-KBPBESRZSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208613425 969173775 /nfs/dbraw/zinc/17/37/75/969173775.db2.gz UAEWKEOYSBLPLY-KBPBESRZSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001208618554 969175090 /nfs/dbraw/zinc/17/50/90/969175090.db2.gz YVAHYIDHOICZSL-CYDGBPFRSA-N 2 1 226.339 1.761 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001208618554 969175094 /nfs/dbraw/zinc/17/50/94/969175094.db2.gz YVAHYIDHOICZSL-CYDGBPFRSA-N 2 1 226.339 1.761 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001208618554 969175099 /nfs/dbraw/zinc/17/50/99/969175099.db2.gz YVAHYIDHOICZSL-CYDGBPFRSA-N 2 1 226.339 1.761 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001208618554 969175105 /nfs/dbraw/zinc/17/51/05/969175105.db2.gz YVAHYIDHOICZSL-CYDGBPFRSA-N 2 1 226.339 1.761 20 0 BDADMP CCCCC[C@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001253521004 969197766 /nfs/dbraw/zinc/19/77/66/969197766.db2.gz YNDOWJCIDATYPS-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CCCCC[C@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001253521004 969197769 /nfs/dbraw/zinc/19/77/69/969197769.db2.gz YNDOWJCIDATYPS-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncnc2)CCC[C@@H]1C[NH3+] ZINC001205992022 969213594 /nfs/dbraw/zinc/21/35/94/969213594.db2.gz CXCUNVWQXSTTRW-DGCLKSJQSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnccn2)CCC[C@H]1C[NH3+] ZINC001205993131 969222681 /nfs/dbraw/zinc/22/26/81/969222681.db2.gz GZJFMIGMNZLAAU-NEPJUHHUSA-N 2 1 234.347 1.283 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208880766 969273221 /nfs/dbraw/zinc/27/32/21/969273221.db2.gz UHAPKOORLRXNHK-HZSPNIEDSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208880766 969273230 /nfs/dbraw/zinc/27/32/30/969273230.db2.gz UHAPKOORLRXNHK-HZSPNIEDSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208880766 969273239 /nfs/dbraw/zinc/27/32/39/969273239.db2.gz UHAPKOORLRXNHK-HZSPNIEDSA-N 2 1 236.359 1.563 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CN3CCC1CC3)C2 ZINC001169094457 969384457 /nfs/dbraw/zinc/38/44/57/969384457.db2.gz LOHUIJAPQVOVCS-XQLPTFJDSA-N 2 1 249.402 1.295 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[NH+]3CCC1CC3)C2 ZINC001169094457 969384471 /nfs/dbraw/zinc/38/44/71/969384471.db2.gz LOHUIJAPQVOVCS-XQLPTFJDSA-N 2 1 249.402 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[NH+]3CCC1CC3)C2 ZINC001169094457 969384475 /nfs/dbraw/zinc/38/44/75/969384475.db2.gz LOHUIJAPQVOVCS-XQLPTFJDSA-N 2 1 249.402 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCCO)C2 ZINC001169096001 969385552 /nfs/dbraw/zinc/38/55/52/969385552.db2.gz UDXAXWDPUDQJFH-BTTYYORXSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCn1cccn1)C2 ZINC001169096492 969390646 /nfs/dbraw/zinc/39/06/46/969390646.db2.gz XMVIMCMPEKPLIS-XYYAHUGASA-N 2 1 234.347 1.098 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CO)C(C)(C)C)C2 ZINC001169098419 969390740 /nfs/dbraw/zinc/39/07/40/969390740.db2.gz HVFRSQGGUOSWAT-RNJOBUHISA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079182 969399789 /nfs/dbraw/zinc/39/97/89/969399789.db2.gz JIPSHRNSPQVNPT-RVMXOQNASA-N 2 1 226.364 1.218 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001169082312 969401614 /nfs/dbraw/zinc/40/16/14/969401614.db2.gz YOZYXSMGICOMPV-JZRPKSSGSA-N 2 1 224.348 1.115 20 0 BDADMP COCC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209211726 969403056 /nfs/dbraw/zinc/40/30/56/969403056.db2.gz XMECJIPJCVNYTA-UHFFFAOYSA-N 2 1 228.380 1.685 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC=CC1)C2 ZINC001169090685 969409676 /nfs/dbraw/zinc/40/96/76/969409676.db2.gz KRTYYAJHJVSOEZ-XYYAHUGASA-N 2 1 206.333 1.920 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@]1(C)CCOC1)C2 ZINC001169118279 969413958 /nfs/dbraw/zinc/41/39/58/969413958.db2.gz GOSPBEKEPWVOTD-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP COC1CC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169122889 969418540 /nfs/dbraw/zinc/41/85/40/969418540.db2.gz FUZMYDKCPGOVGM-VDLCUWCOSA-N 2 1 238.375 1.626 20 0 BDADMP COC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125950 969423253 /nfs/dbraw/zinc/42/32/53/969423253.db2.gz ODPCYUPUPNBOLM-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126419 969432848 /nfs/dbraw/zinc/43/28/48/969432848.db2.gz SVOXVWLFCBSXJE-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126419 969432852 /nfs/dbraw/zinc/43/28/52/969432852.db2.gz SVOXVWLFCBSXJE-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126419 969432861 /nfs/dbraw/zinc/43/28/61/969432861.db2.gz SVOXVWLFCBSXJE-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP CC[N@@H+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169127092 969434192 /nfs/dbraw/zinc/43/41/92/969434192.db2.gz ZQMPWCGYWUCJIZ-ITGUQSILSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169127092 969434198 /nfs/dbraw/zinc/43/41/98/969434198.db2.gz ZQMPWCGYWUCJIZ-ITGUQSILSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169127092 969434203 /nfs/dbraw/zinc/43/42/03/969434203.db2.gz ZQMPWCGYWUCJIZ-ITGUQSILSA-N 2 1 226.364 1.580 20 0 BDADMP COC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC001169108383 969447226 /nfs/dbraw/zinc/44/72/26/969447226.db2.gz SHPTYTPGNVBSJB-CNDDSTCGSA-N 2 1 242.363 1.210 20 0 BDADMP COC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC001169108383 969447239 /nfs/dbraw/zinc/44/72/39/969447239.db2.gz SHPTYTPGNVBSJB-CNDDSTCGSA-N 2 1 242.363 1.210 20 0 BDADMP COC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109046 969449245 /nfs/dbraw/zinc/44/92/45/969449245.db2.gz HBRKLHSCNUHNKV-WISYIIOYSA-N 2 1 240.347 1.153 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@](C)(O)C1)C2 ZINC001169141320 969455429 /nfs/dbraw/zinc/45/54/29/969455429.db2.gz PRNNOTMAGXXWHF-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@](C)(O)C1)C2 ZINC001169141320 969455444 /nfs/dbraw/zinc/45/54/44/969455444.db2.gz PRNNOTMAGXXWHF-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC([NH+]3CCCC3)C1)C2 ZINC001169141030 969455958 /nfs/dbraw/zinc/45/59/58/969455958.db2.gz OCTWARQGARGUEN-BTTYYORXSA-N 2 1 249.402 1.392 20 0 BDADMP CC[N@@H+](CC(C)(C)O)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147485 969460938 /nfs/dbraw/zinc/46/09/38/969460938.db2.gz UGGAVJMQVQOCBG-CLLJXQQHSA-N 2 1 240.391 1.704 20 0 BDADMP CC[NH+](CC(C)(C)O)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147485 969460946 /nfs/dbraw/zinc/46/09/46/969460946.db2.gz UGGAVJMQVQOCBG-CLLJXQQHSA-N 2 1 240.391 1.704 20 0 BDADMP CC[NH+](CC(C)(C)O)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147485 969460952 /nfs/dbraw/zinc/46/09/52/969460952.db2.gz UGGAVJMQVQOCBG-CLLJXQQHSA-N 2 1 240.391 1.704 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001169143094 969463718 /nfs/dbraw/zinc/46/37/18/969463718.db2.gz XMNYLNKANZBLTO-QWQWKMKNSA-N 2 1 222.332 1.085 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001169143094 969463727 /nfs/dbraw/zinc/46/37/27/969463727.db2.gz XMNYLNKANZBLTO-QWQWKMKNSA-N 2 1 222.332 1.085 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001169143094 969463738 /nfs/dbraw/zinc/46/37/38/969463738.db2.gz XMNYLNKANZBLTO-QWQWKMKNSA-N 2 1 222.332 1.085 20 0 BDADMP COC[C@H]1CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160099 969480418 /nfs/dbraw/zinc/48/04/18/969480418.db2.gz AUWLOQOHCSDFAB-XQHKEYJVSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@H]1CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160099 969480425 /nfs/dbraw/zinc/48/04/25/969480425.db2.gz AUWLOQOHCSDFAB-XQHKEYJVSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@H]1CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160099 969480431 /nfs/dbraw/zinc/48/04/31/969480431.db2.gz AUWLOQOHCSDFAB-XQHKEYJVSA-N 2 1 224.348 1.332 20 0 BDADMP CC[NH+]1CCC(N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001169266649 969523967 /nfs/dbraw/zinc/52/39/67/969523967.db2.gz ZSRQIYUCIPICPS-UHFFFAOYSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCC([NH+]2CCC(COC)CC2)CC1 ZINC001169244177 969528720 /nfs/dbraw/zinc/52/87/20/969528720.db2.gz GDBUIKVEVCVLNQ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@]2(C)CCOC2)CC1 ZINC001169240576 969529890 /nfs/dbraw/zinc/52/98/90/969529890.db2.gz ARFQOOQLKPWKCN-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH+]1CCC(N2CCn3c(c[nH+]c3C)C2)CC1 ZINC001169249707 969540897 /nfs/dbraw/zinc/54/08/97/969540897.db2.gz KBDJYYAPVBHQOY-UHFFFAOYSA-N 2 1 248.374 1.491 20 0 BDADMP COC1(C)CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209727904 969580530 /nfs/dbraw/zinc/58/05/30/969580530.db2.gz OPRKKWYITNNOGS-UHFFFAOYSA-N 2 1 235.331 1.495 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+](Cc3c[nH+]ccc3N)CC[C@H]2O1 ZINC001209725012 969582419 /nfs/dbraw/zinc/58/24/19/969582419.db2.gz FQUVQURVFVQLCO-COPLHBTASA-N 2 1 247.342 1.493 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+](Cc3c[nH+]ccc3N)CC[C@H]2O1 ZINC001209725012 969582425 /nfs/dbraw/zinc/58/24/25/969582425.db2.gz FQUVQURVFVQLCO-COPLHBTASA-N 2 1 247.342 1.493 20 0 BDADMP COCCC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209729881 969587092 /nfs/dbraw/zinc/58/70/92/969587092.db2.gz DHUPAWUUQPLWCN-UHFFFAOYSA-N 2 1 249.358 1.743 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CCCO2)CC1 ZINC001209729915 969587110 /nfs/dbraw/zinc/58/71/10/969587110.db2.gz AYKPBYWGBYQJPQ-UHFFFAOYSA-N 2 1 247.342 1.639 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209729919 969590162 /nfs/dbraw/zinc/59/01/62/969590162.db2.gz BCAWYWLHXAAOTP-CYBMUJFWSA-N 2 1 249.358 1.884 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209729919 969590170 /nfs/dbraw/zinc/59/01/70/969590170.db2.gz BCAWYWLHXAAOTP-CYBMUJFWSA-N 2 1 249.358 1.884 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209733437 969591660 /nfs/dbraw/zinc/59/16/60/969591660.db2.gz XFFFLWPDSIOYNS-ZDUSSCGKSA-N 2 1 248.374 1.409 20 0 BDADMP CC(C)O[C@H]1CC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209737381 969597698 /nfs/dbraw/zinc/59/76/98/969597698.db2.gz LUEYZWBXWPXADQ-LBPRGKRZSA-N 2 1 235.331 1.493 20 0 BDADMP CC(C)O[C@H]1CC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209737381 969597702 /nfs/dbraw/zinc/59/77/02/969597702.db2.gz LUEYZWBXWPXADQ-LBPRGKRZSA-N 2 1 235.331 1.493 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]ccc3N)C2)C1 ZINC001209737410 969598545 /nfs/dbraw/zinc/59/85/45/969598545.db2.gz NJNZRNWOEHGQKN-CQSZACIVSA-N 2 1 246.358 1.022 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001209734055 969599881 /nfs/dbraw/zinc/59/98/81/969599881.db2.gz LDPHLOVGCDAFQW-UHFFFAOYSA-N 2 1 247.342 1.497 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001209734055 969599892 /nfs/dbraw/zinc/59/98/92/969599892.db2.gz LDPHLOVGCDAFQW-UHFFFAOYSA-N 2 1 247.342 1.497 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2CCc3ccccc3CC2)C1 ZINC001254450275 969642684 /nfs/dbraw/zinc/64/26/84/969642684.db2.gz LHEVSRNAXZEINH-AWEZNQCLSA-N 2 1 230.355 1.967 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001254450275 969642689 /nfs/dbraw/zinc/64/26/89/969642689.db2.gz LHEVSRNAXZEINH-AWEZNQCLSA-N 2 1 230.355 1.967 20 0 BDADMP C[C@H]([NH3+])c1nccn1[C@H]1CCC[N@@H+](C)CC1 ZINC001254498392 969662037 /nfs/dbraw/zinc/66/20/37/969662037.db2.gz YKUDECFVGPDMFU-QWRGUYRKSA-N 2 1 222.336 1.560 20 0 BDADMP C[N@H+]1CCC[C@@H](n2cccc2C[NH3+])CC1 ZINC001254501528 969665930 /nfs/dbraw/zinc/66/59/30/969665930.db2.gz UTVWBQBGGSRZIU-LLVKDONJSA-N 2 1 207.321 1.604 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CC2(F)CCOCC2)CC1 ZINC001254503367 969667433 /nfs/dbraw/zinc/66/74/33/969667433.db2.gz MTJFOBYNSGPGLM-LBPRGKRZSA-N 2 1 244.354 1.579 20 0 BDADMP C[N@H+]1CCC[C@H](n2cccc2C[NH3+])CC1 ZINC001254501534 969669873 /nfs/dbraw/zinc/66/98/73/969669873.db2.gz UTVWBQBGGSRZIU-NSHDSACASA-N 2 1 207.321 1.604 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCOc2cccnc2)CC1 ZINC001254502602 969669976 /nfs/dbraw/zinc/66/99/76/969669976.db2.gz GYZKGRZGSCQRKZ-ZDUSSCGKSA-N 2 1 249.358 1.534 20 0 BDADMP CCCC[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254505063 969674587 /nfs/dbraw/zinc/67/45/87/969674587.db2.gz YRLGNSHBFQEMPL-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP C[N@H+]1CCC[C@@H](n2cccc2CC[NH3+])CC1 ZINC001254509089 969678363 /nfs/dbraw/zinc/67/83/63/969678363.db2.gz VWXUAXFBLYEPLP-CYBMUJFWSA-N 2 1 221.348 1.646 20 0 BDADMP CN1CCC[C@](C)([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254512772 969682138 /nfs/dbraw/zinc/68/21/38/969682138.db2.gz RMAKGTIULXNLCM-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@@H+]1CCC[C@](C)(N[C@H]2CCC[NH+](C)CC2)C1 ZINC001254512772 969682146 /nfs/dbraw/zinc/68/21/46/969682146.db2.gz RMAKGTIULXNLCM-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@](C)(N[C@H]2CCC[NH+](C)CC2)C1 ZINC001254512772 969682149 /nfs/dbraw/zinc/68/21/49/969682149.db2.gz RMAKGTIULXNLCM-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@](C)(N[C@H]2CCC[N@H+](C)CC2)C1 ZINC001254512772 969682154 /nfs/dbraw/zinc/68/21/54/969682154.db2.gz RMAKGTIULXNLCM-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@](C)(N[C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254512772 969682159 /nfs/dbraw/zinc/68/21/59/969682159.db2.gz RMAKGTIULXNLCM-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[N@@H+](CCOC)[C@@H]1CCC[NH+](C)CC1 ZINC001254515872 969688204 /nfs/dbraw/zinc/68/82/04/969688204.db2.gz FROCZQLANUHISV-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C3CC3)CC2)CC1 ZINC001254517273 969696103 /nfs/dbraw/zinc/69/61/03/969696103.db2.gz SUGUAXSWGXILPA-ZDUSSCGKSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCOCC2(C)C)CC1 ZINC001254523349 969697706 /nfs/dbraw/zinc/69/77/06/969697706.db2.gz OKGLXEXJARAICV-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCOCC2(C)C)CC1 ZINC001254523349 969697709 /nfs/dbraw/zinc/69/77/09/969697709.db2.gz OKGLXEXJARAICV-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCOCC2(C)C)CC1 ZINC001254523349 969697715 /nfs/dbraw/zinc/69/77/15/969697715.db2.gz OKGLXEXJARAICV-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCOCC2(C)C)CC1 ZINC001254523349 969697718 /nfs/dbraw/zinc/69/77/18/969697718.db2.gz OKGLXEXJARAICV-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@H+]1CCCN([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254517868 969701895 /nfs/dbraw/zinc/70/18/95/969701895.db2.gz ZHQOIXGWRFVYEZ-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254517868 969701897 /nfs/dbraw/zinc/70/18/97/969701897.db2.gz ZHQOIXGWRFVYEZ-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254517868 969701902 /nfs/dbraw/zinc/70/19/02/969701902.db2.gz ZHQOIXGWRFVYEZ-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001254518520 969703279 /nfs/dbraw/zinc/70/32/79/969703279.db2.gz BVDXJATUMKLJJR-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001254518520 969703286 /nfs/dbraw/zinc/70/32/86/969703286.db2.gz BVDXJATUMKLJJR-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001254518520 969703292 /nfs/dbraw/zinc/70/32/92/969703292.db2.gz BVDXJATUMKLJJR-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](CCO)C2)CC1 ZINC001254524277 969708880 /nfs/dbraw/zinc/70/88/80/969708880.db2.gz AGABBFWKWYZNQF-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC001254524277 969708893 /nfs/dbraw/zinc/70/88/93/969708893.db2.gz AGABBFWKWYZNQF-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CCO3)CC2)CC1 ZINC001254526297 969721193 /nfs/dbraw/zinc/72/11/93/969721193.db2.gz QLUQZAMDVBTKCO-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CCO3)CC2)CC1 ZINC001254526297 969721201 /nfs/dbraw/zinc/72/12/01/969721201.db2.gz QLUQZAMDVBTKCO-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP Cc1nc2c(n1[C@@H]1CCC[N@H+](C)CC1)C[NH2+]CC2 ZINC001254528806 969723326 /nfs/dbraw/zinc/72/33/26/969723326.db2.gz IBZKABZNAXEWGY-GFCCVEGCSA-N 2 1 248.374 1.494 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCOC[C@H]2C2CC2)CC1 ZINC001254531925 969727126 /nfs/dbraw/zinc/72/71/26/969727126.db2.gz NBSCHKMGDAJGDP-KBPBESRZSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCOC[C@H]2C2CC2)CC1 ZINC001254531925 969727136 /nfs/dbraw/zinc/72/71/36/969727136.db2.gz NBSCHKMGDAJGDP-KBPBESRZSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC001254531925 969727146 /nfs/dbraw/zinc/72/71/46/969727146.db2.gz NBSCHKMGDAJGDP-KBPBESRZSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC001254531925 969727155 /nfs/dbraw/zinc/72/71/55/969727155.db2.gz NBSCHKMGDAJGDP-KBPBESRZSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)[C@@H](C)CO1 ZINC001254529482 969732789 /nfs/dbraw/zinc/73/27/89/969732789.db2.gz GKMDUCQIYIZRRB-XQQFMLRXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)[C@@H](C)CO1 ZINC001254529482 969732797 /nfs/dbraw/zinc/73/27/97/969732797.db2.gz GKMDUCQIYIZRRB-XQQFMLRXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)[C@@H](C)CO1 ZINC001254529482 969732804 /nfs/dbraw/zinc/73/28/04/969732804.db2.gz GKMDUCQIYIZRRB-XQQFMLRXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)[C@@H](C)CO1 ZINC001254529482 969732818 /nfs/dbraw/zinc/73/28/18/969732818.db2.gz GKMDUCQIYIZRRB-XQQFMLRXSA-N 2 1 226.364 1.580 20 0 BDADMP Cc1cc(N)[nH+]cc1-n1cnc2cccc(N)c21 ZINC001209967875 969738203 /nfs/dbraw/zinc/73/82/03/969738203.db2.gz STRFMJNUAFKJJI-UHFFFAOYSA-N 2 1 239.282 1.893 20 0 BDADMP CCC[N@H+](CCC[NH3+])[C@H]1CC2CCN(CC2)C1 ZINC001254837448 969800154 /nfs/dbraw/zinc/80/01/54/969800154.db2.gz UXCDUCOCSAKEBJ-AWEZNQCLSA-N 2 1 239.407 1.532 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1CC2CCN(CC2)C1 ZINC001254837448 969800156 /nfs/dbraw/zinc/80/01/56/969800156.db2.gz UXCDUCOCSAKEBJ-AWEZNQCLSA-N 2 1 239.407 1.532 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CC3CCN(CC3)C2)C1 ZINC001254845530 969802930 /nfs/dbraw/zinc/80/29/30/969802930.db2.gz OIMILGLZHUHYOW-MELADBBJSA-N 2 1 237.391 1.330 20 0 BDADMP CC(C)([NH3+])C(C)(C)N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254842148 969803832 /nfs/dbraw/zinc/80/38/32/969803832.db2.gz CSIDXKQJFWRRIS-GFCCVEGCSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000690361245 969838824 /nfs/dbraw/zinc/83/88/24/969838824.db2.gz VERNJDGGTZHJEJ-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)C1Cc2ccccc2C1 ZINC001255014713 969846324 /nfs/dbraw/zinc/84/63/24/969846324.db2.gz HUTASIHDAIEFTB-NSHDSACASA-N 2 1 218.344 1.680 20 0 BDADMP [NH3+]CCCC[N@H+]1CCN[C@H](Cc2ccccc2)C1 ZINC001210311414 969861641 /nfs/dbraw/zinc/86/16/41/969861641.db2.gz JNIAJWROWRDEFX-OAHLLOKOSA-N 2 1 247.386 1.242 20 0 BDADMP [NH3+]CCCCN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210311414 969861644 /nfs/dbraw/zinc/86/16/44/969861644.db2.gz JNIAJWROWRDEFX-OAHLLOKOSA-N 2 1 247.386 1.242 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCSC3)C2)C1 ZINC001255291720 970055347 /nfs/dbraw/zinc/05/53/47/970055347.db2.gz YCTUPOAODLFPAV-NWDGAFQWSA-N 2 1 226.389 1.520 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCSC3)C2)C1 ZINC001255291720 970055357 /nfs/dbraw/zinc/05/53/57/970055357.db2.gz YCTUPOAODLFPAV-NWDGAFQWSA-N 2 1 226.389 1.520 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCSC3)C2)C1 ZINC001255291720 970055367 /nfs/dbraw/zinc/05/53/67/970055367.db2.gz YCTUPOAODLFPAV-NWDGAFQWSA-N 2 1 226.389 1.520 20 0 BDADMP CCCC[C@H](C)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001255329361 970109310 /nfs/dbraw/zinc/10/93/10/970109310.db2.gz KFLAOLINBITVTJ-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP COC(=[NH2+])c1cccc(N(C)C(C)(C)C[NH3+])c1 ZINC001170059863 970115039 /nfs/dbraw/zinc/11/50/39/970115039.db2.gz WBTPUTZDSOWTDH-UHFFFAOYSA-N 2 1 235.331 1.832 20 0 BDADMP C[N@H+]1CC[C@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001255412335 970130406 /nfs/dbraw/zinc/13/04/06/970130406.db2.gz NEHQXAWGKQKQJL-VIFPVBQESA-N 2 1 223.295 1.400 20 0 BDADMP C[N@H+]1CC[C@@H](N2CCC([NH3+])(CC3CC3)CC2)C1 ZINC001255423497 970148070 /nfs/dbraw/zinc/14/80/70/970148070.db2.gz WMLLYDJHZYRSMG-CYBMUJFWSA-N 2 1 237.391 1.284 20 0 BDADMP C[N@H+]1CCC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255469126 970196398 /nfs/dbraw/zinc/19/63/98/970196398.db2.gz BZGZRCMRISNVOT-GFCCVEGCSA-N 2 1 232.331 1.481 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001255487773 970235198 /nfs/dbraw/zinc/23/51/98/970235198.db2.gz VGWBOWCAWIGTJN-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CN(CC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC001255490957 970242160 /nfs/dbraw/zinc/24/21/60/970242160.db2.gz YQTBPMYGGSNGEZ-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C[C@@H]1CN([C@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1C ZINC001255488819 970243676 /nfs/dbraw/zinc/24/36/76/970243676.db2.gz HMLVDHNWQDVQLA-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1CN([C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1C ZINC001255488819 970243686 /nfs/dbraw/zinc/24/36/86/970243686.db2.gz HMLVDHNWQDVQLA-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1CN([C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1C ZINC001255488819 970243691 /nfs/dbraw/zinc/24/36/91/970243691.db2.gz HMLVDHNWQDVQLA-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP CC[N@H+]1CCN([C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001255493370 970257075 /nfs/dbraw/zinc/25/70/75/970257075.db2.gz CGJCRWLNJRUBDW-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001255493370 970257101 /nfs/dbraw/zinc/25/71/01/970257101.db2.gz CGJCRWLNJRUBDW-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001255493370 970257124 /nfs/dbraw/zinc/25/71/24/970257124.db2.gz CGJCRWLNJRUBDW-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255508117 970274861 /nfs/dbraw/zinc/27/48/61/970274861.db2.gz FWEIMVPBGTUBLE-GEPGNKONSA-N 2 1 222.254 1.797 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255527394 970293364 /nfs/dbraw/zinc/29/33/64/970293364.db2.gz LYOFMSYLYZUBBK-SECBINFHSA-N 2 1 200.326 1.271 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170106124 970306931 /nfs/dbraw/zinc/30/69/31/970306931.db2.gz ULNXHZOQKPXXFR-QJPTWQEYSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001170147704 970442741 /nfs/dbraw/zinc/44/27/41/970442741.db2.gz DXGTVCIZGHNAAF-RYUDHWBXSA-N 2 1 219.332 1.930 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001170147704 970442747 /nfs/dbraw/zinc/44/27/47/970442747.db2.gz DXGTVCIZGHNAAF-RYUDHWBXSA-N 2 1 219.332 1.930 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(C)(OC)OC ZINC001255948271 970581467 /nfs/dbraw/zinc/58/14/67/970581467.db2.gz IRQQNECXCSKVAU-GFCCVEGCSA-N 2 1 246.395 1.705 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+](C)C2CCN(C)CC2)CCO1 ZINC001170202316 970597870 /nfs/dbraw/zinc/59/78/70/970597870.db2.gz GEAGPPZERLPWLO-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001170235518 970611529 /nfs/dbraw/zinc/61/15/29/970611529.db2.gz MZYBPFXTWKDSOJ-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCO1 ZINC001170235518 970611535 /nfs/dbraw/zinc/61/15/35/970611535.db2.gz MZYBPFXTWKDSOJ-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCO1 ZINC001170235518 970611538 /nfs/dbraw/zinc/61/15/38/970611538.db2.gz MZYBPFXTWKDSOJ-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CC1(C)C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC001256068053 970634400 /nfs/dbraw/zinc/63/44/00/970634400.db2.gz UNVVLPMJIMKUAA-CYBMUJFWSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H]1CC[N@H+](C2CCN(C3CC3)CC2)C1 ZINC001256075787 970644642 /nfs/dbraw/zinc/64/46/42/970644642.db2.gz QRGRHQWMMRPZSB-CYBMUJFWSA-N 2 1 224.348 1.334 20 0 BDADMP CO[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075787 970644652 /nfs/dbraw/zinc/64/46/52/970644652.db2.gz QRGRHQWMMRPZSB-CYBMUJFWSA-N 2 1 224.348 1.334 20 0 BDADMP CO[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075787 970644657 /nfs/dbraw/zinc/64/46/57/970644657.db2.gz QRGRHQWMMRPZSB-CYBMUJFWSA-N 2 1 224.348 1.334 20 0 BDADMP C[C@@]1(O)CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256078973 970646196 /nfs/dbraw/zinc/64/61/96/970646196.db2.gz HLCGSDDNIRXCFS-CQSZACIVSA-N 2 1 238.375 1.460 20 0 BDADMP C[C@@]1(O)CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256078973 970646203 /nfs/dbraw/zinc/64/62/03/970646203.db2.gz HLCGSDDNIRXCFS-CQSZACIVSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+]1CCC([NH2+]CCN2CCC(F)(F)C2)CC1 ZINC001256198298 970694404 /nfs/dbraw/zinc/69/44/04/970694404.db2.gz IFKQRFZBMNSQBP-UHFFFAOYSA-N 2 1 247.333 1.011 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001256203450 970700761 /nfs/dbraw/zinc/70/07/61/970700761.db2.gz YPKSUXHEPMZCKK-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001256203450 970700770 /nfs/dbraw/zinc/70/07/70/970700770.db2.gz YPKSUXHEPMZCKK-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001256203276 970703682 /nfs/dbraw/zinc/70/36/82/970703682.db2.gz UUAQHLATROILQG-CYBMUJFWSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC([NH+]2CCC(n3ccnc3)CC2)CC1 ZINC001256209512 970708912 /nfs/dbraw/zinc/70/89/12/970708912.db2.gz XSCABYVFJYTASG-UHFFFAOYSA-N 2 1 248.374 1.614 20 0 BDADMP C[N@H+]1C[C@H]2CCCN(C3CC[NH+](C)CC3)[C@H]2C1 ZINC001256209483 970715026 /nfs/dbraw/zinc/71/50/26/970715026.db2.gz WWMYIKVGCUSDIU-OCCSQVGLSA-N 2 1 237.391 1.107 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000402142631 970762428 /nfs/dbraw/zinc/76/24/28/970762428.db2.gz MKAIUZNKGIBALD-RWMBFGLXSA-N 2 1 226.364 1.533 20 0 BDADMP Cc1scnc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222543473 972557572 /nfs/dbraw/zinc/55/75/72/972557572.db2.gz VPIIGLYRJUUZGU-UHFFFAOYSA-N 2 1 243.351 1.714 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246551675 972730581 /nfs/dbraw/zinc/73/05/81/972730581.db2.gz UPLQYQBFSFEGRR-BFHYXJOUSA-N 3 1 241.423 1.918 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246551675 972730591 /nfs/dbraw/zinc/73/05/91/972730591.db2.gz UPLQYQBFSFEGRR-BFHYXJOUSA-N 2 1 241.423 1.918 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246551675 972730607 /nfs/dbraw/zinc/73/06/07/972730607.db2.gz UPLQYQBFSFEGRR-BFHYXJOUSA-N 2 1 241.423 1.918 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246551675 972730623 /nfs/dbraw/zinc/73/06/23/972730623.db2.gz UPLQYQBFSFEGRR-BFHYXJOUSA-N 2 1 241.423 1.918 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@H](C)[NH2+]C)[C@H](C)C1 ZINC001327838030 972753779 /nfs/dbraw/zinc/75/37/79/972753779.db2.gz CPXHZNNKZOLGSP-AGIUHOORSA-N 2 1 227.396 1.304 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@H](C)C1 ZINC001327838030 972753787 /nfs/dbraw/zinc/75/37/87/972753787.db2.gz CPXHZNNKZOLGSP-AGIUHOORSA-N 3 1 227.396 1.304 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH2+]C)[C@H](C)C1 ZINC001327838030 972753796 /nfs/dbraw/zinc/75/37/96/972753796.db2.gz CPXHZNNKZOLGSP-AGIUHOORSA-N 3 1 227.396 1.304 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cncs1 ZINC001327841417 972755612 /nfs/dbraw/zinc/75/56/12/972755612.db2.gz WRKCZAXHSSIBPP-DTWKUNHWSA-N 2 1 213.350 1.792 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557313 972775024 /nfs/dbraw/zinc/77/50/24/972775024.db2.gz HUJBSYODJNUIBK-NEPJUHHUSA-N 2 1 246.420 1.304 20 0 BDADMP CCSC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566594 972808794 /nfs/dbraw/zinc/80/87/94/972808794.db2.gz SJYUVNPUYPTJTD-VWYCJHECSA-N 2 1 216.394 1.797 20 0 BDADMP CCSC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566594 972808798 /nfs/dbraw/zinc/80/87/98/972808798.db2.gz SJYUVNPUYPTJTD-VWYCJHECSA-N 2 1 216.394 1.797 20 0 BDADMP CCSC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246566853 972817729 /nfs/dbraw/zinc/81/77/29/972817729.db2.gz GKCKNEMVIPUQPY-GARJFASQSA-N 2 1 234.384 1.889 20 0 BDADMP CCSC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246566853 972817733 /nfs/dbraw/zinc/81/77/33/972817733.db2.gz GKCKNEMVIPUQPY-GARJFASQSA-N 2 1 234.384 1.889 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](O)(CF)CC2)CC[NH2+]1 ZINC001246568169 972822838 /nfs/dbraw/zinc/82/28/38/972822838.db2.gz MDANXLFNXZTQNH-AGIUHOORSA-N 2 1 244.354 1.313 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568871 972825975 /nfs/dbraw/zinc/82/59/75/972825975.db2.gz SLNAOUAZXSAQJF-IJLUTSLNSA-N 2 1 214.353 1.469 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568871 972825977 /nfs/dbraw/zinc/82/59/77/972825977.db2.gz SLNAOUAZXSAQJF-IJLUTSLNSA-N 2 1 214.353 1.469 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246574095 972867275 /nfs/dbraw/zinc/86/72/75/972867275.db2.gz JWIZBNGPAPHKST-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CN([C@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246574095 972867288 /nfs/dbraw/zinc/86/72/88/972867288.db2.gz JWIZBNGPAPHKST-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246578479 972898282 /nfs/dbraw/zinc/89/82/82/972898282.db2.gz VKLPDSQLYVPGLA-MGPQQGTHSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@@H]1O ZINC001246581212 972943367 /nfs/dbraw/zinc/94/33/67/972943367.db2.gz YFNQYHPLOJOHJC-YIPFDTCYSA-N 2 1 238.375 1.362 20 0 BDADMP CC(C)CC(CC(C)C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246588058 972985762 /nfs/dbraw/zinc/98/57/62/972985762.db2.gz YBPCWYDHSMKMDY-JSGCOSHPSA-N 2 1 242.407 1.699 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589915 972990740 /nfs/dbraw/zinc/99/07/40/972990740.db2.gz GNZKRAHJJXCWBR-AVGNSLFASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589915 972990758 /nfs/dbraw/zinc/99/07/58/972990758.db2.gz GNZKRAHJJXCWBR-AVGNSLFASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246598340 973015603 /nfs/dbraw/zinc/01/56/03/973015603.db2.gz AIVHUCKXLITPKH-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246610083 973032934 /nfs/dbraw/zinc/03/29/34/973032934.db2.gz ORDYNMDJIPYQKJ-UONOGXRCSA-N 2 1 237.391 1.299 20 0 BDADMP CC1CC[NH+](CCNc2cc[nH+]c(N)n2)CC1 ZINC000232833197 973110807 /nfs/dbraw/zinc/11/08/07/973110807.db2.gz FWRZBNGHCVFXBP-UHFFFAOYSA-N 2 1 235.335 1.203 20 0 BDADMP C1CC12C[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)CCN2 ZINC001246835521 973127966 /nfs/dbraw/zinc/12/79/66/973127966.db2.gz UDUHHASGRDTDRB-ZDUSSCGKSA-N 2 1 249.402 1.347 20 0 BDADMP CCn1nc(C)c(C[NH2+]CC[C@H](C)[NH2+]C)c1C ZINC001328678511 973263818 /nfs/dbraw/zinc/26/38/18/973263818.db2.gz XNKDHMMHNVTDRR-JTQLQIEISA-N 2 1 238.379 1.607 20 0 BDADMP C[NH2+]CCC[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224117588 973456643 /nfs/dbraw/zinc/45/66/43/973456643.db2.gz APJCTSHPNQCODO-JSGCOSHPSA-N 2 1 245.370 1.737 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1C1CCC([NH2+]C)CC1 ZINC001246935969 973627965 /nfs/dbraw/zinc/62/79/65/973627965.db2.gz VZNQBWKKJJRWAR-JXQTWKCFSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246981943 973751406 /nfs/dbraw/zinc/75/14/06/973751406.db2.gz UYWWHBIPHDBKSJ-NWDGAFQWSA-N 2 1 216.369 1.717 20 0 BDADMP C[NH2+]C[C@@H](C)c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001329412183 973752899 /nfs/dbraw/zinc/75/28/99/973752899.db2.gz UVUOYZQBRNRYCC-KOLCDFICSA-N 2 1 246.314 1.441 20 0 BDADMP CC[N@H+]1CC[C@@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224701894 973866817 /nfs/dbraw/zinc/86/68/17/973866817.db2.gz JBKBGANDWHEWBW-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CC[C@@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224701894 973866820 /nfs/dbraw/zinc/86/68/20/973866820.db2.gz JBKBGANDWHEWBW-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC(OC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001224703432 973869443 /nfs/dbraw/zinc/86/94/43/973869443.db2.gz SGPKRCMKVYHTHE-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CCc2nccn2C1 ZINC001224816806 973992172 /nfs/dbraw/zinc/99/21/72/973992172.db2.gz ARLHOHXVNPVTRW-NWDGAFQWSA-N 2 1 235.331 1.309 20 0 BDADMP C[N@@H+]1CCC[C@H]1CO[C@@H]1CCc2[nH+]ccn2C1 ZINC001224816806 973992188 /nfs/dbraw/zinc/99/21/88/973992188.db2.gz ARLHOHXVNPVTRW-NWDGAFQWSA-N 2 1 235.331 1.309 20 0 BDADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CCc2[nH+]ccn2C1 ZINC001224816806 973992197 /nfs/dbraw/zinc/99/21/97/973992197.db2.gz ARLHOHXVNPVTRW-NWDGAFQWSA-N 2 1 235.331 1.309 20 0 BDADMP CCC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171732293 974142706 /nfs/dbraw/zinc/14/27/06/974142706.db2.gz ZEFDVKFHENPVLO-UHFFFAOYSA-N 2 1 243.395 1.224 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCC=CO2)CC[C@H]1F ZINC001206153687 974223453 /nfs/dbraw/zinc/22/34/53/974223453.db2.gz DRXWTROQUSWGNT-IJLUTSLNSA-N 2 1 228.311 1.440 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCC=CO2)CC[C@H]1F ZINC001206153687 974223467 /nfs/dbraw/zinc/22/34/67/974223467.db2.gz DRXWTROQUSWGNT-IJLUTSLNSA-N 2 1 228.311 1.440 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCCC2)CC[C@H]1F ZINC001206156018 974338228 /nfs/dbraw/zinc/33/82/28/974338228.db2.gz OHMDUISHXXKTER-NEPJUHHUSA-N 2 1 214.328 1.938 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCCC2)CC[C@H]1F ZINC001206156018 974338239 /nfs/dbraw/zinc/33/82/39/974338239.db2.gz OHMDUISHXXKTER-NEPJUHHUSA-N 2 1 214.328 1.938 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCOCC1 ZINC001206155869 974340486 /nfs/dbraw/zinc/34/04/86/974340486.db2.gz MVDXMXYAKQUMOZ-VXGBXAGGSA-N 2 1 244.354 1.564 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCOCC1 ZINC001206155869 974340491 /nfs/dbraw/zinc/34/04/91/974340491.db2.gz MVDXMXYAKQUMOZ-VXGBXAGGSA-N 2 1 244.354 1.564 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001172098924 974340532 /nfs/dbraw/zinc/34/05/32/974340532.db2.gz DMEVEQNBQARPAG-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCF)C2 ZINC001172102643 974361334 /nfs/dbraw/zinc/36/13/34/974361334.db2.gz NZXHJVGFNZDOBN-RTCCRHLQSA-N 2 1 200.301 1.561 20 0 BDADMP Cc1cc(C[NH3+])nn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103600 974363735 /nfs/dbraw/zinc/36/37/35/974363735.db2.gz WEDUYYSWUQHXTF-WDNDVIMCSA-N 2 1 248.374 1.838 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC(O)C1)C2 ZINC001172108004 974365249 /nfs/dbraw/zinc/36/52/49/974365249.db2.gz NKLGYSNDRFPFJO-VDLCUWCOSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCO1)C2 ZINC001172108177 974366914 /nfs/dbraw/zinc/36/69/14/974366914.db2.gz QZVKSYPGBUIWRZ-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H](O)C1)C2 ZINC001172108693 974371890 /nfs/dbraw/zinc/37/18/90/974371890.db2.gz YCRQBKUJOBNRKY-XXCSZPINSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H](O)C1)C2 ZINC001172108693 974371896 /nfs/dbraw/zinc/37/18/96/974371896.db2.gz YCRQBKUJOBNRKY-XXCSZPINSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)C1CC1)C2 ZINC001172115907 974379367 /nfs/dbraw/zinc/37/93/67/974379367.db2.gz WBZIMDXADPNSOR-FQUUOJAGSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)CC1)C2 ZINC001172114394 974379543 /nfs/dbraw/zinc/37/95/43/974379543.db2.gz RGAKILGZZVUJMY-ITGUQSILSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)CC1)C2 ZINC001172114394 974379553 /nfs/dbraw/zinc/37/95/53/974379553.db2.gz RGAKILGZZVUJMY-ITGUQSILSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C=C(N)C=CC1)C2 ZINC001172113711 974381779 /nfs/dbraw/zinc/38/17/79/974381779.db2.gz JGKWEPAWUVTNOB-BTTYYORXSA-N 2 1 233.359 1.674 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C=C(N)C=CC1)C2 ZINC001172113711 974381785 /nfs/dbraw/zinc/38/17/85/974381785.db2.gz JGKWEPAWUVTNOB-BTTYYORXSA-N 2 1 233.359 1.674 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C=C(N)C=CC1)C2 ZINC001172113711 974381793 /nfs/dbraw/zinc/38/17/93/974381793.db2.gz JGKWEPAWUVTNOB-BTTYYORXSA-N 2 1 233.359 1.674 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C=C(N)C=CC1)C2 ZINC001172113711 974381800 /nfs/dbraw/zinc/38/18/00/974381800.db2.gz JGKWEPAWUVTNOB-BTTYYORXSA-N 2 1 233.359 1.674 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1COC(C)(C)C1 ZINC001172269878 974486410 /nfs/dbraw/zinc/48/64/10/974486410.db2.gz ITONKAIZYXQDFS-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1COC(C)(C)C1 ZINC001172271414 974487036 /nfs/dbraw/zinc/48/70/36/974487036.db2.gz VDPRTYQLHGCYEY-LLVKDONJSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235471 974495519 /nfs/dbraw/zinc/49/55/19/974495519.db2.gz BCDBSHGDEXYZMC-APYLGABCSA-N 2 1 236.359 1.402 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235471 974495529 /nfs/dbraw/zinc/49/55/29/974495529.db2.gz BCDBSHGDEXYZMC-APYLGABCSA-N 2 1 236.359 1.402 20 0 BDADMP C[NH+](C)CCC[N@H+](C)[C@H]1COC(C)(C)C1 ZINC001172278778 974536443 /nfs/dbraw/zinc/53/64/43/974536443.db2.gz AUOQKUURPPABHN-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@H]1COC(C)(C)C1 ZINC001172278778 974536451 /nfs/dbraw/zinc/53/64/51/974536451.db2.gz AUOQKUURPPABHN-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1COC(C)(C)C1)C2 ZINC001172290225 974557853 /nfs/dbraw/zinc/55/78/53/974557853.db2.gz CBMWBWYJHDADLW-MBNYWOFBSA-N 2 1 238.375 1.437 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)[nH]1 ZINC001206164173 974632364 /nfs/dbraw/zinc/63/23/64/974632364.db2.gz JHTQULWHKBUDCZ-VXGBXAGGSA-N 2 1 225.311 1.584 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)[nH]1 ZINC001206164173 974632367 /nfs/dbraw/zinc/63/23/67/974632367.db2.gz JHTQULWHKBUDCZ-VXGBXAGGSA-N 2 1 225.311 1.584 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1sc(C)nc1C ZINC001331419798 974712879 /nfs/dbraw/zinc/71/28/79/974712879.db2.gz RJEFLVXVKZLDSY-QMMMGPOBSA-N 2 1 227.377 1.848 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172433279 974720472 /nfs/dbraw/zinc/72/04/72/974720472.db2.gz OJNWUAHFAQQYSP-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CCOCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172433279 974720477 /nfs/dbraw/zinc/72/04/77/974720477.db2.gz OJNWUAHFAQQYSP-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CCOCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172433279 974720481 /nfs/dbraw/zinc/72/04/81/974720481.db2.gz OJNWUAHFAQQYSP-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001172434880 974737037 /nfs/dbraw/zinc/73/70/37/974737037.db2.gz VNQYHKFSWQERJZ-WDEREUQCSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001172434880 974737040 /nfs/dbraw/zinc/73/70/40/974737040.db2.gz VNQYHKFSWQERJZ-WDEREUQCSA-N 2 1 200.326 1.223 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206166656 974882272 /nfs/dbraw/zinc/88/22/72/974882272.db2.gz TXWBYPRNXABNAR-VHSXEESVSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206166656 974882273 /nfs/dbraw/zinc/88/22/73/974882273.db2.gz TXWBYPRNXABNAR-VHSXEESVSA-N 2 1 243.351 1.713 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001172584982 974891320 /nfs/dbraw/zinc/89/13/20/974891320.db2.gz DCHRDWMIUZPGFA-NXEZZACHSA-N 2 1 228.336 1.045 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173584 974901327 /nfs/dbraw/zinc/90/13/27/974901327.db2.gz IKGHEKKVVCVLSV-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173584 974901331 /nfs/dbraw/zinc/90/13/31/974901331.db2.gz IKGHEKKVVCVLSV-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP CO[C@H]1CCC[C@@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001172934123 974988555 /nfs/dbraw/zinc/98/85/55/974988555.db2.gz QDCFBZTTYMTATP-NEPJUHHUSA-N 2 1 237.347 1.905 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001172941975 974999793 /nfs/dbraw/zinc/99/97/93/974999793.db2.gz HJHSIPCQFSTRST-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001172941975 974999799 /nfs/dbraw/zinc/99/97/99/974999799.db2.gz HJHSIPCQFSTRST-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001172941975 974999804 /nfs/dbraw/zinc/99/98/04/974999804.db2.gz HJHSIPCQFSTRST-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc[nH+]c(N)c1)C2 ZINC001226655161 975001747 /nfs/dbraw/zinc/00/17/47/975001747.db2.gz FAJOPSDTNYFRSE-IAZYJMLFSA-N 2 1 233.315 1.668 20 0 BDADMP Cc1nc(N(C)C)cc(N(C)C2CC[NH2+]CC2)[nH+]1 ZINC000258809273 975010086 /nfs/dbraw/zinc/01/00/86/975010086.db2.gz URHWEPWJFPVRSE-UHFFFAOYSA-N 2 1 249.362 1.039 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCO[C@@H](C)C3)C[C@@H]2C1 ZINC001173174743 975051202 /nfs/dbraw/zinc/05/12/02/975051202.db2.gz YSRBUTJJMJSDBO-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCO[C@@H](C)C3)C[C@@H]2C1 ZINC001173174743 975051209 /nfs/dbraw/zinc/05/12/09/975051209.db2.gz YSRBUTJJMJSDBO-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCO[C@@H](C)C3)C[C@@H]2C1 ZINC001173174743 975051215 /nfs/dbraw/zinc/05/12/15/975051215.db2.gz YSRBUTJJMJSDBO-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP CCSC[C@@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173289016 975255715 /nfs/dbraw/zinc/25/57/15/975255715.db2.gz AQTIIWFCNJYTDD-NXEZZACHSA-N 2 1 243.376 1.059 20 0 BDADMP CC[N@H+]1CC[C@@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001173348875 975290379 /nfs/dbraw/zinc/29/03/79/975290379.db2.gz UWAWXGKSAABSRX-LLVKDONJSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001173349455 975290832 /nfs/dbraw/zinc/29/08/32/975290832.db2.gz GMKFSGZZTGAARZ-JTQLQIEISA-N 2 1 237.322 1.791 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001173349551 975291909 /nfs/dbraw/zinc/29/19/09/975291909.db2.gz AWCMXLOPTMEPRE-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001173349551 975291916 /nfs/dbraw/zinc/29/19/16/975291916.db2.gz AWCMXLOPTMEPRE-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+](CCC)CCN[C@H]1CC[N@@H+](CC)C1 ZINC001173350069 975296103 /nfs/dbraw/zinc/29/61/03/975296103.db2.gz NKPNOYRXPRVCLB-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CC[N@H+]1CC[C@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001173352511 975301479 /nfs/dbraw/zinc/30/14/79/975301479.db2.gz OKAUWNCFVFDJOT-NSHDSACASA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001173365385 975344450 /nfs/dbraw/zinc/34/44/50/975344450.db2.gz HBNXIGZQWGJPPF-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001334337455 976454845 /nfs/dbraw/zinc/45/48/45/976454845.db2.gz JVZDTKYTFWCROP-CHWSQXEVSA-N 3 1 239.407 1.435 20 0 BDADMP C[N@H+]1CC[C@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228936988 976587547 /nfs/dbraw/zinc/58/75/47/976587547.db2.gz RZSCRENIEYNHFQ-HNNXBMFYSA-N 2 1 246.354 1.757 20 0 BDADMP C[NH+]1CC[C@H](Oc2ccc3c(c2)CC[N@@H+](C)C3)C1 ZINC001228936988 976587554 /nfs/dbraw/zinc/58/75/54/976587554.db2.gz RZSCRENIEYNHFQ-HNNXBMFYSA-N 2 1 246.354 1.757 20 0 BDADMP C[NH+]1CC[C@H](Oc2ccc3c(c2)CC[N@H+](C)C3)C1 ZINC001228936988 976587566 /nfs/dbraw/zinc/58/75/66/976587566.db2.gz RZSCRENIEYNHFQ-HNNXBMFYSA-N 2 1 246.354 1.757 20 0 BDADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001335350258 976986824 /nfs/dbraw/zinc/98/68/24/976986824.db2.gz FODUYLFWISAGFX-ZFWWWQNUSA-N 2 1 248.370 1.570 20 0 BDADMP OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]cc1 ZINC001336423996 977673991 /nfs/dbraw/zinc/67/39/91/977673991.db2.gz QYXGTMKZXWTNRQ-UONOGXRCSA-N 2 1 247.342 1.117 20 0 BDADMP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)CC1COC1 ZINC001232016506 977845439 /nfs/dbraw/zinc/84/54/39/977845439.db2.gz YLOYHORZUJAHPM-UHFFFAOYSA-N 2 1 231.299 1.641 20 0 BDADMP C[C@H]([C@H](C)Nc1cc[nH+]cc1)[NH+]1CCOCC1 ZINC001336908748 978048793 /nfs/dbraw/zinc/04/87/93/978048793.db2.gz HWYPCBBHURAQNM-NWDGAFQWSA-N 2 1 235.331 1.025 20 0 BDADMP C[NH+](C)CCCO[C@@H]1CCC[N@@H+](C)CC1 ZINC001206288237 978264305 /nfs/dbraw/zinc/26/43/05/978264305.db2.gz WZFCOZWETKFDGS-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CCC2C[NH2+]C2)CC1 ZINC001206294834 978300789 /nfs/dbraw/zinc/30/07/89/978300789.db2.gz KHTJDKWDZNBADN-ZDUSSCGKSA-N 3 1 225.380 1.047 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC001177542870 978394096 /nfs/dbraw/zinc/39/40/96/978394096.db2.gz VLMMCFUVXKJFNA-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC001233196186 978493861 /nfs/dbraw/zinc/49/38/61/978493861.db2.gz QXYDFEFSCBOJAS-BETUJISGSA-N 2 1 247.342 1.089 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001233196186 978493867 /nfs/dbraw/zinc/49/38/67/978493867.db2.gz QXYDFEFSCBOJAS-BETUJISGSA-N 2 1 247.342 1.089 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001233196186 978493876 /nfs/dbraw/zinc/49/38/76/978493876.db2.gz QXYDFEFSCBOJAS-BETUJISGSA-N 2 1 247.342 1.089 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H]1CNc1nccnc1C[NH3+] ZINC001337917436 978561339 /nfs/dbraw/zinc/56/13/39/978561339.db2.gz QQRZZGMTZXXONK-JTQLQIEISA-N 2 1 249.362 1.220 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)nc(C)[nH+]1 ZINC001338295007 978655109 /nfs/dbraw/zinc/65/51/09/978655109.db2.gz AUULWQPFCRQZLQ-RWMBFGLXSA-N 2 1 246.358 1.846 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)nc(C)[nH+]1 ZINC001338295007 978655111 /nfs/dbraw/zinc/65/51/11/978655111.db2.gz AUULWQPFCRQZLQ-RWMBFGLXSA-N 2 1 246.358 1.846 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)n1C ZINC001179816472 978761798 /nfs/dbraw/zinc/76/17/98/978761798.db2.gz LTWYPCOMOXXREF-MRVWCRGKSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)n1C ZINC001179816472 978761808 /nfs/dbraw/zinc/76/18/08/978761808.db2.gz LTWYPCOMOXXREF-MRVWCRGKSA-N 2 1 248.374 1.158 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000070327343 978837906 /nfs/dbraw/zinc/83/79/06/978837906.db2.gz YXXJCERVRPLCDC-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126637 978982075 /nfs/dbraw/zinc/98/20/75/978982075.db2.gz VPNHMDZUCUFZIH-UPJWGTAASA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126634 978982595 /nfs/dbraw/zinc/98/25/95/978982595.db2.gz VPNHMDZUCUFZIH-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209819 978996756 /nfs/dbraw/zinc/99/67/56/978996756.db2.gz RAJYQGIREMAVHY-QRTUWBSPSA-N 2 1 232.371 1.882 20 0 BDADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001277930460 978997223 /nfs/dbraw/zinc/99/72/23/978997223.db2.gz KPNQCWYFAIRBLR-OKILXGFUSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001235554631 979100817 /nfs/dbraw/zinc/10/08/17/979100817.db2.gz KSBCFACBQBDMIP-KWCYVHTRSA-N 2 1 234.343 1.012 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001235554631 979100820 /nfs/dbraw/zinc/10/08/20/979100820.db2.gz KSBCFACBQBDMIP-KWCYVHTRSA-N 2 1 234.343 1.012 20 0 BDADMP C[C@H](O)C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277957352 979104119 /nfs/dbraw/zinc/10/41/19/979104119.db2.gz AZZARJGQGMWJTQ-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNCc2cccnc2N)C1 ZINC001181471095 979116530 /nfs/dbraw/zinc/11/65/30/979116530.db2.gz BPAVSOQAEDDEJD-LBPRGKRZSA-N 2 1 248.374 1.484 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccnc2N)C1 ZINC001181471095 979116534 /nfs/dbraw/zinc/11/65/34/979116534.db2.gz BPAVSOQAEDDEJD-LBPRGKRZSA-N 2 1 248.374 1.484 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccnc2N)C1 ZINC001181471095 979116537 /nfs/dbraw/zinc/11/65/37/979116537.db2.gz BPAVSOQAEDDEJD-LBPRGKRZSA-N 2 1 248.374 1.484 20 0 BDADMP CCOC(=O)CCC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC001235693576 979124199 /nfs/dbraw/zinc/12/41/99/979124199.db2.gz DFQOAXZQDYTWLZ-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001235736401 979140639 /nfs/dbraw/zinc/14/06/39/979140639.db2.gz VPFYIHAHSZNVAY-AWEZNQCLSA-N 2 1 233.359 1.827 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1C[C@H](N)Cc1ccccc1 ZINC001235905953 979197318 /nfs/dbraw/zinc/19/73/18/979197318.db2.gz UQQHKAMPBNAHAW-YUELXQCFSA-N 2 1 248.370 1.402 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1C[C@H](N)Cc1ccccc1 ZINC001235905953 979197324 /nfs/dbraw/zinc/19/73/24/979197324.db2.gz UQQHKAMPBNAHAW-YUELXQCFSA-N 2 1 248.370 1.402 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235925292 979209126 /nfs/dbraw/zinc/20/91/26/979209126.db2.gz PYTRIMMAJDJMPM-STQMWFEESA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001235925292 979209134 /nfs/dbraw/zinc/20/91/34/979209134.db2.gz PYTRIMMAJDJMPM-STQMWFEESA-N 3 1 225.380 1.332 20 0 BDADMP C(C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929299 979212353 /nfs/dbraw/zinc/21/23/53/979212353.db2.gz KWNAZKGRRNWQNV-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929299 979212364 /nfs/dbraw/zinc/21/23/64/979212364.db2.gz KWNAZKGRRNWQNV-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP CC(C)[N@H+](CC[NH3+])Cc1ccc2c(c1)NCC2 ZINC001235948014 979220027 /nfs/dbraw/zinc/22/00/27/979220027.db2.gz NKUQTJXDLZTOTL-UHFFFAOYSA-N 2 1 233.359 1.824 20 0 BDADMP CC(C)[N@@H+](CC[NH3+])Cc1ccc2c(c1)NCC2 ZINC001235948014 979220039 /nfs/dbraw/zinc/22/00/39/979220039.db2.gz NKUQTJXDLZTOTL-UHFFFAOYSA-N 2 1 233.359 1.824 20 0 BDADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCCO ZINC001235973134 979246491 /nfs/dbraw/zinc/24/64/91/979246491.db2.gz LIKLTWUSTQNNIJ-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCO ZINC001235973134 979246510 /nfs/dbraw/zinc/24/65/10/979246510.db2.gz LIKLTWUSTQNNIJ-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCO ZINC001235973134 979246518 /nfs/dbraw/zinc/24/65/18/979246518.db2.gz LIKLTWUSTQNNIJ-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP COc1ccc(CC[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235980595 979253668 /nfs/dbraw/zinc/25/36/68/979253668.db2.gz RDYMSRHPJFTMTP-HIFRSBDPSA-N 2 1 246.354 1.661 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235980595 979253677 /nfs/dbraw/zinc/25/36/77/979253677.db2.gz RDYMSRHPJFTMTP-HIFRSBDPSA-N 2 1 246.354 1.661 20 0 BDADMP [NH3+][C@]12CC[C@@H]1CN(Cc1[nH+]cn3ccccc13)C2 ZINC001235990717 979277937 /nfs/dbraw/zinc/27/79/37/979277937.db2.gz NPXBCLZRFYGQAN-RISCZKNCSA-N 2 1 242.326 1.257 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996666 979292840 /nfs/dbraw/zinc/29/28/40/979292840.db2.gz YNJVMYRILMWBER-RISCZKNCSA-N 2 1 242.326 1.486 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996666 979292848 /nfs/dbraw/zinc/29/28/48/979292848.db2.gz YNJVMYRILMWBER-RISCZKNCSA-N 2 1 242.326 1.486 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001236043974 979338072 /nfs/dbraw/zinc/33/80/72/979338072.db2.gz HHANUNQMWIRZMF-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001236043974 979338083 /nfs/dbraw/zinc/33/80/83/979338083.db2.gz HHANUNQMWIRZMF-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[N@H+](CC[NH3+])CC/C=C/c1cccnc1 ZINC001236103733 979392315 /nfs/dbraw/zinc/39/23/15/979392315.db2.gz WXDFIPCAZSPXLR-GORDUTHDSA-N 2 1 205.305 1.375 20 0 BDADMP C[N@@H+](CC[NH3+])CC/C=C/c1cccnc1 ZINC001236103733 979392320 /nfs/dbraw/zinc/39/23/20/979392320.db2.gz WXDFIPCAZSPXLR-GORDUTHDSA-N 2 1 205.305 1.375 20 0 BDADMP CCc1[nH]c(CN(C)C[C@@H]2CCC[NH2+]2)c(C)[nH+]1 ZINC001236118508 979399769 /nfs/dbraw/zinc/39/97/69/979399769.db2.gz QQYDFHKXQBOTOW-NSHDSACASA-N 2 1 236.363 1.464 20 0 BDADMP CN(Cc1[nH+]cc2ccccn21)C[C@@H]1CCC[NH2+]1 ZINC001236118612 979399870 /nfs/dbraw/zinc/39/98/70/979399870.db2.gz XQCQPBLOCYTSQW-LBPRGKRZSA-N 2 1 244.342 1.518 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCC[NH2+]C1CCCCC1 ZINC001236140750 979408333 /nfs/dbraw/zinc/40/83/33/979408333.db2.gz FUWSXBNDQXEPIR-UHFFFAOYSA-N 3 1 241.423 1.970 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3occc32)C[C@H]1O ZINC001206480748 979447925 /nfs/dbraw/zinc/44/79/25/979447925.db2.gz JLTRAZLFGLBSBT-WCQYABFASA-N 2 1 246.310 1.184 20 0 BDADMP C[N@@H+](CCO)CCC[NH2+]C1CCCCC1 ZINC001236254186 979472613 /nfs/dbraw/zinc/47/26/13/979472613.db2.gz VVSMQZSUUFIDQX-UHFFFAOYSA-N 2 1 214.353 1.223 20 0 BDADMP C(C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)C1CC1 ZINC001236314532 979506569 /nfs/dbraw/zinc/50/65/69/979506569.db2.gz QMWQSOQEMLWHDE-BETUJISGSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n(C)n1 ZINC001236315522 979530357 /nfs/dbraw/zinc/53/03/57/979530357.db2.gz KAYNIMQWVGSYGP-BETUJISGSA-N 2 1 248.374 1.160 20 0 BDADMP Cc1ncn(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320140 979532006 /nfs/dbraw/zinc/53/20/06/979532006.db2.gz DERZEEIQROCYOZ-BETUJISGSA-N 2 1 248.374 1.160 20 0 BDADMP CCC[N@@H+](CCCC[NH3+])CCC[NH+](C)C ZINC001236322863 979539166 /nfs/dbraw/zinc/53/91/66/979539166.db2.gz UNTRQOKJTZYGET-UHFFFAOYSA-N 3 1 215.385 1.389 20 0 BDADMP CCC[N@H+](CCCC[NH3+])CCCN(C)C ZINC001236322863 979539172 /nfs/dbraw/zinc/53/91/72/979539172.db2.gz UNTRQOKJTZYGET-UHFFFAOYSA-N 2 1 215.385 1.389 20 0 BDADMP CCC[N@@H+](CCCC[NH3+])CCCN(C)C ZINC001236322863 979539179 /nfs/dbraw/zinc/53/91/79/979539179.db2.gz UNTRQOKJTZYGET-UHFFFAOYSA-N 2 1 215.385 1.389 20 0 BDADMP CO[C@@H](C)C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001182715404 979617179 /nfs/dbraw/zinc/61/71/79/979617179.db2.gz QVHXTLKPFBJBEC-LBPRGKRZSA-N 2 1 216.369 1.589 20 0 BDADMP C[C@@H]1C[NH+](CCC2CC[NH+](C)CC2)C[C@@H](C)N1 ZINC001236576132 979645927 /nfs/dbraw/zinc/64/59/27/979645927.db2.gz BUDMKOWUIPKQSD-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1CN(Cc2c[nH]c3cc[nH+]cc23)C[C@H](C)[NH2+]1 ZINC001236575909 979645966 /nfs/dbraw/zinc/64/59/66/979645966.db2.gz BRAZNJAIDIVMSM-QWRGUYRKSA-N 2 1 244.342 1.745 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cn[nH]c2)CC1 ZINC001205255813 979740722 /nfs/dbraw/zinc/74/07/22/979740722.db2.gz LFSBDKIWVFQBRG-LLVKDONJSA-N 2 1 208.309 1.113 20 0 BDADMP CCC[N@@H+](CCCCCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC001236833905 979744353 /nfs/dbraw/zinc/74/43/53/979744353.db2.gz DHLWHRPVZUTZPS-AWEZNQCLSA-N 3 1 241.423 1.827 20 0 BDADMP C[N@H+]1CCN(CCCC[NH3+])C2(CCCC2)C1 ZINC001236844349 979751669 /nfs/dbraw/zinc/75/16/69/979751669.db2.gz UOTWMILFGMYZNR-UHFFFAOYSA-N 2 1 225.380 1.286 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC001205257179 979758583 /nfs/dbraw/zinc/75/85/83/979758583.db2.gz TUARQAQOMOPJQM-HNNXBMFYSA-N 2 1 248.370 1.882 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)CCC(C)(C)OC ZINC001236865325 979771531 /nfs/dbraw/zinc/77/15/31/979771531.db2.gz IVZFRSLWPRIYOC-JTQLQIEISA-N 2 1 202.342 1.471 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCC(C)(C)OC ZINC001236865325 979771534 /nfs/dbraw/zinc/77/15/34/979771534.db2.gz IVZFRSLWPRIYOC-JTQLQIEISA-N 2 1 202.342 1.471 20 0 BDADMP C[NH+](C)CCCN1CCC2(CC[N@@H+](C)C2)CC1 ZINC001278048654 979816180 /nfs/dbraw/zinc/81/61/80/979816180.db2.gz QNTHBWVXRSTUBG-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001237187793 979835231 /nfs/dbraw/zinc/83/52/31/979835231.db2.gz KURCIPXUNBBLAW-LLVKDONJSA-N 2 1 220.320 1.352 20 0 BDADMP Cn1c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cccc1=O ZINC001205296159 980062089 /nfs/dbraw/zinc/06/20/89/980062089.db2.gz IFGBMMCSIMMPQH-CQSZACIVSA-N 2 1 249.358 1.089 20 0 BDADMP O[C@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238104083 980149599 /nfs/dbraw/zinc/14/95/99/980149599.db2.gz SGNCBXDZGKDCGJ-AWEZNQCLSA-N 2 1 245.326 1.681 20 0 BDADMP O[C@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238104083 980149607 /nfs/dbraw/zinc/14/96/07/980149607.db2.gz SGNCBXDZGKDCGJ-AWEZNQCLSA-N 2 1 245.326 1.681 20 0 BDADMP c1[nH+]cn2c1cccc2C[NH+]1CCCC1 ZINC001238104686 980156684 /nfs/dbraw/zinc/15/66/84/980156684.db2.gz YSDZHTFXHRQLCF-UHFFFAOYSA-N 2 1 201.273 1.930 20 0 BDADMP c1cc2c(c(C3=CCC[NH2+]CC3)[nH+]1)CCN2 ZINC001238939033 980376723 /nfs/dbraw/zinc/37/67/23/980376723.db2.gz SDLRUVIDCLDDOS-UHFFFAOYSA-N 2 1 215.300 1.816 20 0 BDADMP Cc1cc(C2=CCC[NH2+]CC2)c[nH+]c1N ZINC001238944472 980383241 /nfs/dbraw/zinc/38/32/41/980383241.db2.gz JXUPUEYPIALKCY-UHFFFAOYSA-N 2 1 203.289 1.739 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1c[nH]nc1C ZINC001345483055 980618060 /nfs/dbraw/zinc/61/80/60/980618060.db2.gz QDAMQARDSBMACT-BDAKNGLRSA-N 2 1 210.325 1.367 20 0 BDADMP CN1CCC([N@@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000084896440 980758943 /nfs/dbraw/zinc/75/89/43/980758943.db2.gz YVXIMSXKVUVTIZ-UHFFFAOYSA-N 2 1 248.370 1.705 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001346190622 980779346 /nfs/dbraw/zinc/77/93/46/980779346.db2.gz HZJFYOWZRCFOGG-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C)C2)c1 ZINC001346192555 980779664 /nfs/dbraw/zinc/77/96/64/980779664.db2.gz WCOQLLBKGXNOIA-DZGCQCFKSA-N 2 1 248.370 1.570 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)co1 ZINC001205545205 980938917 /nfs/dbraw/zinc/93/89/17/980938917.db2.gz AMASYZDLXIVWDI-GFCCVEGCSA-N 2 1 241.310 1.636 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545620 980948758 /nfs/dbraw/zinc/94/87/58/980948758.db2.gz KRVOOFPWKOHQPQ-IJLUTSLNSA-N 2 1 214.328 1.795 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccn2C)CC[C@H]1C[NH3+] ZINC001205602771 981170597 /nfs/dbraw/zinc/17/05/97/981170597.db2.gz MGDFALCOMFPJEW-STQMWFEESA-N 2 1 235.375 1.832 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2)CC[C@@H]1C[NH3+] ZINC001205604780 981181274 /nfs/dbraw/zinc/18/12/74/981181274.db2.gz WYHHFJJMHMZYPY-GXTWGEPZSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccnc(N)c2)CC[C@H]1C[NH3+] ZINC001205626912 981276347 /nfs/dbraw/zinc/27/63/47/981276347.db2.gz KPEDGWSZHOOQLE-YPMHNXCESA-N 2 1 248.374 1.471 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cccnc1 ZINC001348853223 981459849 /nfs/dbraw/zinc/45/98/49/981459849.db2.gz SNBYDXPTRMPBCV-GHMZBOCLSA-N 2 1 207.321 1.730 20 0 BDADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001348854950 981464098 /nfs/dbraw/zinc/46/40/98/981464098.db2.gz FGKWRDJMBUYIEC-LJISPDSOSA-N 2 1 228.339 1.790 20 0 BDADMP CCC[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC001349114333 981509961 /nfs/dbraw/zinc/50/99/61/981509961.db2.gz STCWGMXQMYSXID-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP O[C@]1(C[N@H+]2CC[C@H](C3CCC3)C2)CCC[NH2+]C1 ZINC001580878605 981678395 /nfs/dbraw/zinc/67/83/95/981678395.db2.gz SKYPZAFUDLXMEA-UONOGXRCSA-N 2 1 238.375 1.223 20 0 BDADMP OC[C@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001580882250 981681548 /nfs/dbraw/zinc/68/15/48/981681548.db2.gz PSCMJTHVVYCIDQ-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP OC[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC001580884427 981694696 /nfs/dbraw/zinc/69/46/96/981694696.db2.gz APTQRLMTZAMQEJ-MELADBBJSA-N 2 1 238.375 1.080 20 0 BDADMP CCC(CC)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664109 981808772 /nfs/dbraw/zinc/80/87/72/981808772.db2.gz LTJGNSVUNLSBGY-CYBMUJFWSA-N 2 1 228.380 1.598 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802556 982538234 /nfs/dbraw/zinc/53/82/34/982538234.db2.gz BXCWXSDPMRWXLM-ZYHUDNBSSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802556 982538241 /nfs/dbraw/zinc/53/82/41/982538241.db2.gz BXCWXSDPMRWXLM-ZYHUDNBSSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802556 982538247 /nfs/dbraw/zinc/53/82/47/982538247.db2.gz BXCWXSDPMRWXLM-ZYHUDNBSSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802556 982538250 /nfs/dbraw/zinc/53/82/50/982538250.db2.gz BXCWXSDPMRWXLM-ZYHUDNBSSA-N 2 1 235.331 1.346 20 0 BDADMP Cc1[nH+]cc(CN2C[C@@H](C)CC[C@H]2C[NH3+])n1C ZINC001205804359 982562281 /nfs/dbraw/zinc/56/22/81/982562281.db2.gz NGVNTFOBEZFUFX-JQWIXIFHSA-N 2 1 236.363 1.288 20 0 BDADMP C[NH+](C)Cc1cncc(C2=CCC[N@@H+](C)C2)c1 ZINC001241570851 982824489 /nfs/dbraw/zinc/82/44/89/982824489.db2.gz PITZVSWVNYWCAY-UHFFFAOYSA-N 2 1 231.343 1.862 20 0 BDADMP C[NH2+]C1CC(C(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC001353569770 982893728 /nfs/dbraw/zinc/89/37/28/982893728.db2.gz HNMKURAVJDGIQP-UHFFFAOYSA-N 2 1 248.330 1.084 20 0 BDADMP c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000037408332 982941937 /nfs/dbraw/zinc/94/19/37/982941937.db2.gz KSAJWVNXFRBZNJ-LBPRGKRZSA-N 2 1 231.343 1.656 20 0 BDADMP c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000037408332 982941944 /nfs/dbraw/zinc/94/19/44/982941944.db2.gz KSAJWVNXFRBZNJ-LBPRGKRZSA-N 2 1 231.343 1.656 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC000690529668 983012374 /nfs/dbraw/zinc/01/23/74/983012374.db2.gz NYZNYWVRDFHDIR-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP C[NH+](C)CCNc1ccc2[nH]c[nH+]c2c1 ZINC000082593198 983103962 /nfs/dbraw/zinc/10/39/62/983103962.db2.gz IOYAHBSPBUQQEV-UHFFFAOYSA-N 2 1 204.277 1.536 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001205902700 983117176 /nfs/dbraw/zinc/11/71/76/983117176.db2.gz KYFRXCCTCJIIJR-VXGBXAGGSA-N 3 1 243.370 1.137 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001205916196 983186620 /nfs/dbraw/zinc/18/66/20/983186620.db2.gz SRAYNWBVCYMSAX-IUODEOHRSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cccc(C[NH3+])c1 ZINC001205916196 983186625 /nfs/dbraw/zinc/18/66/25/983186625.db2.gz SRAYNWBVCYMSAX-IUODEOHRSA-N 2 1 247.386 1.705 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC001354232812 983214965 /nfs/dbraw/zinc/21/49/65/983214965.db2.gz BZLPDUDJJCPXHK-CYDGBPFRSA-N 3 1 237.391 1.363 20 0 BDADMP Cc1cnc(-c2c[nH+]c(N)cc2C)c(C[NH3+])c1 ZINC001242078836 983326829 /nfs/dbraw/zinc/32/68/29/983326829.db2.gz SRXAWGZNYCNAKQ-UHFFFAOYSA-N 2 1 228.299 1.801 20 0 BDADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001201621187 983378848 /nfs/dbraw/zinc/37/88/48/983378848.db2.gz ZLNZCBCSEJIQNS-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001201621187 983378857 /nfs/dbraw/zinc/37/88/57/983378857.db2.gz ZLNZCBCSEJIQNS-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001201621187 983378861 /nfs/dbraw/zinc/37/88/61/983378861.db2.gz ZLNZCBCSEJIQNS-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001201621187 983378868 /nfs/dbraw/zinc/37/88/68/983378868.db2.gz ZLNZCBCSEJIQNS-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CSCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201680426 983391957 /nfs/dbraw/zinc/39/19/57/983391957.db2.gz HUCVSVYPSFVLGZ-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP CSCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201680426 983391963 /nfs/dbraw/zinc/39/19/63/983391963.db2.gz HUCVSVYPSFVLGZ-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP CSCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201680426 983391969 /nfs/dbraw/zinc/39/19/69/983391969.db2.gz HUCVSVYPSFVLGZ-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP C[C@H](CC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CC(C)(C)C ZINC001205947033 983672807 /nfs/dbraw/zinc/67/28/07/983672807.db2.gz VIFHVUBXXWDKEQ-JHJVBQTASA-N 2 1 242.407 1.843 20 0 BDADMP CCC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252778973 983882185 /nfs/dbraw/zinc/88/21/85/983882185.db2.gz GLIUSNWWGOXYPE-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001252778973 983882188 /nfs/dbraw/zinc/88/21/88/983882188.db2.gz GLIUSNWWGOXYPE-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001252778973 983882193 /nfs/dbraw/zinc/88/21/93/983882193.db2.gz GLIUSNWWGOXYPE-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CNC(=O)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000379965981 984063468 /nfs/dbraw/zinc/06/34/68/984063468.db2.gz LSCYYYLZABMHNR-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@@H](Cc1ccsc1)[N@@H+](C)C[C@H](O)CC[NH3+] ZINC001576064989 984148173 /nfs/dbraw/zinc/14/81/73/984148173.db2.gz ABIWLTZTADTGCW-CMPLNLGQSA-N 2 1 242.388 1.321 20 0 BDADMP C[C@H]([NH3+])C[NH2+]Cc1cccc2nsnc21 ZINC001576159754 984161094 /nfs/dbraw/zinc/16/10/94/984161094.db2.gz VVHDHCIMKQJVIG-ZETCQYMHSA-N 2 1 222.317 1.128 20 0 BDADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576273304 984166485 /nfs/dbraw/zinc/16/64/85/984166485.db2.gz UFZOJLQEOBDFLQ-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP CCC(CC)(C[NH3+])C[NH2+]CCc1n[nH]c(C)n1 ZINC001577052590 984186082 /nfs/dbraw/zinc/18/60/82/984186082.db2.gz YMEQKPPRMPTNMV-UHFFFAOYSA-N 2 1 239.367 1.010 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC001578241995 984208543 /nfs/dbraw/zinc/20/85/43/984208543.db2.gz WMBWTDSEUXELJP-YFKTTZPYSA-N 2 1 240.347 1.058 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001578654388 984220578 /nfs/dbraw/zinc/22/05/78/984220578.db2.gz OJNVNLDFPCWKMB-GJZGRUSLSA-N 2 1 248.370 1.794 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC001275168773 984514783 /nfs/dbraw/zinc/51/47/83/984514783.db2.gz NBVPQZNWLNHEON-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP CCc1[nH]c(CN2CC3(C2)CC[N@H+](C)C3)c(C)[nH+]1 ZINC001275230792 984525234 /nfs/dbraw/zinc/52/52/34/984525234.db2.gz JPOWOZCVPJZTSI-UHFFFAOYSA-N 2 1 248.374 1.418 20 0 BDADMP CCc1[nH]c(CN2CC3(C2)CC[N@@H+](C)C3)c(C)[nH+]1 ZINC001275230792 984525245 /nfs/dbraw/zinc/52/52/45/984525245.db2.gz JPOWOZCVPJZTSI-UHFFFAOYSA-N 2 1 248.374 1.418 20 0 BDADMP O[C@H]1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001580886083 984624862 /nfs/dbraw/zinc/62/48/62/984624862.db2.gz WVEMVURUKYEMTB-WOPDTQHZSA-N 2 1 224.348 1.022 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001577687651 984638127 /nfs/dbraw/zinc/63/81/27/984638127.db2.gz NYMSABVIEKAYGQ-MJBXVCDLSA-N 3 1 239.407 1.306 20 0 BDADMP CC[NH+]1CCC(CN[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001577763604 984720507 /nfs/dbraw/zinc/72/05/07/984720507.db2.gz FWDRMSUWCIXVOC-HZSPNIEDSA-N 2 1 237.391 1.201 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CC1 ZINC001577763604 984720540 /nfs/dbraw/zinc/72/05/40/984720540.db2.gz FWDRMSUWCIXVOC-HZSPNIEDSA-N 2 1 237.391 1.201 20 0 BDADMP CCOC(=O)CC[N@@H+](CCC[NH2+]C)C(C)C ZINC001577949050 984829751 /nfs/dbraw/zinc/82/97/51/984829751.db2.gz VUQHOODZCXJFGO-UHFFFAOYSA-N 2 1 230.352 1.260 20 0 BDADMP [NH3+]Cc1ccn([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC001256899020 984845891 /nfs/dbraw/zinc/84/58/91/984845891.db2.gz QTDJEXMJHNEMAU-AWEZNQCLSA-N 2 1 248.374 1.921 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])CC)[C@]12CCCO2 ZINC001578148873 984853873 /nfs/dbraw/zinc/85/38/73/984853873.db2.gz MJPZOSONYWKOMF-YVECIDJPSA-N 2 1 242.363 1.040 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001578161712 984865751 /nfs/dbraw/zinc/86/57/51/984865751.db2.gz XEUMBEBRBXGJAE-FIQHERPVSA-N 2 1 212.337 1.142 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001257411579 984962560 /nfs/dbraw/zinc/96/25/60/984962560.db2.gz VRLGMENPCAQWAK-WDEREUQCSA-N 2 1 230.352 1.293 20 0 BDADMP CCc1nocc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001578336631 984978808 /nfs/dbraw/zinc/97/88/08/984978808.db2.gz XFXIZEWGAOAERV-MNOVXSKESA-N 2 1 235.331 1.278 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001578336631 984978844 /nfs/dbraw/zinc/97/88/44/984978844.db2.gz XFXIZEWGAOAERV-MNOVXSKESA-N 2 1 235.331 1.278 20 0 BDADMP CCn1ccc(C[NH2+]CCC(C)(C)[NH3+])n1 ZINC001578354088 984992919 /nfs/dbraw/zinc/99/29/19/984992919.db2.gz XMMVUKFPAZBZCS-UHFFFAOYSA-N 2 1 210.325 1.120 20 0 BDADMP CC[C@@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257440911 985017825 /nfs/dbraw/zinc/01/78/25/985017825.db2.gz TWBYIPHGIYWAMO-LLVKDONJSA-N 2 1 239.363 1.915 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000686011119 985035730 /nfs/dbraw/zinc/03/57/30/985035730.db2.gz AUOJXKBODFZVNT-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000686012999 985036929 /nfs/dbraw/zinc/03/69/29/985036929.db2.gz BBFMEYBVYHCLJJ-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000686012999 985036935 /nfs/dbraw/zinc/03/69/35/985036935.db2.gz BBFMEYBVYHCLJJ-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@]1(O)CCC[NH2+]C1 ZINC001578448134 985085130 /nfs/dbraw/zinc/08/51/30/985085130.db2.gz LHKIYMSHLXBTJH-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@@H+](CCCC(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578463307 985096939 /nfs/dbraw/zinc/09/69/39/985096939.db2.gz BLJRXPZSVHNIFJ-GDNZZTSVSA-N 2 1 210.365 1.962 20 0 BDADMP C[N@@H+](CCCCCO)CCCC1CC[NH2+]CC1 ZINC001578465894 985099186 /nfs/dbraw/zinc/09/91/86/985099186.db2.gz UIZNATZTXJNKMK-UHFFFAOYSA-N 2 1 242.407 1.861 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1O ZINC001578485731 985117519 /nfs/dbraw/zinc/11/75/19/985117519.db2.gz DIXSCZIZNGPXCO-UMSGYPCISA-N 2 1 226.364 1.349 20 0 BDADMP C[N@@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529426 985159406 /nfs/dbraw/zinc/15/94/06/985159406.db2.gz UUPUDWXIZNSHAS-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529426 985159416 /nfs/dbraw/zinc/15/94/16/985159416.db2.gz UUPUDWXIZNSHAS-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC001578638775 985250242 /nfs/dbraw/zinc/25/02/42/985250242.db2.gz VKIRIYXBGKTSKG-MNOVXSKESA-N 2 1 237.347 1.219 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC001578901959 985493359 /nfs/dbraw/zinc/49/33/59/985493359.db2.gz WYOPFUMGJSZULZ-RQJABVFESA-N 2 1 238.375 1.341 20 0 BDADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000688033205 985500317 /nfs/dbraw/zinc/50/03/17/985500317.db2.gz OJFYGBLUPFLSLY-UHFFFAOYSA-N 2 1 222.357 1.988 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000688025358 985504291 /nfs/dbraw/zinc/50/42/91/985504291.db2.gz ZWROZBWFVYLBBQ-ZYHUDNBSSA-N 2 1 212.337 1.095 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578937115 985545459 /nfs/dbraw/zinc/54/54/59/985545459.db2.gz GTDZWKICPIPCGZ-LPWJVIDDSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC001578938357 985556767 /nfs/dbraw/zinc/55/67/67/985556767.db2.gz RESUUCMNBNTQLM-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001578960379 985580396 /nfs/dbraw/zinc/58/03/96/985580396.db2.gz HJSOFURBUBJVDI-OLZOCXBDSA-N 2 1 244.379 1.016 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001578960380 985582348 /nfs/dbraw/zinc/58/23/48/985582348.db2.gz HJSOFURBUBJVDI-QWHCGFSZSA-N 2 1 244.379 1.016 20 0 BDADMP COc1cc(C[C@@H](C)[NH2+]C(C)(C)C[NH3+])ccn1 ZINC001579146710 985812194 /nfs/dbraw/zinc/81/21/94/985812194.db2.gz QRZWFEOJFMZJIS-SNVBAGLBSA-N 2 1 237.347 1.348 20 0 BDADMP COC(=O)CC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001258356175 985835867 /nfs/dbraw/zinc/83/58/67/985835867.db2.gz RNCYLVMUQOVECH-VOMCLLRMSA-N 2 1 242.363 1.530 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC001579454495 985941500 /nfs/dbraw/zinc/94/15/00/985941500.db2.gz GZZALRYXZALEPU-MCIONIFRSA-N 2 1 240.391 1.326 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC001579476829 985989890 /nfs/dbraw/zinc/98/98/90/985989890.db2.gz IVUGQOMSDVSMCM-MXWKQRLJSA-N 2 1 228.380 1.905 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1cccc2nsnc21 ZINC001579476794 985990041 /nfs/dbraw/zinc/99/00/41/985990041.db2.gz GDEFIKWHQWSOOE-SSDOTTSWSA-N 2 1 222.317 1.128 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)c1cccs1 ZINC001579485864 986010193 /nfs/dbraw/zinc/01/01/93/986010193.db2.gz VBOYATNIWLNUPK-GXSJLCMTSA-N 2 1 226.345 1.123 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CCCCO1 ZINC001579505146 986048168 /nfs/dbraw/zinc/04/81/68/986048168.db2.gz MGGBSPBGMTZZSV-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(C)n1 ZINC001579592499 986098964 /nfs/dbraw/zinc/09/89/64/986098964.db2.gz DCVDKHPXTNASKB-UHFFFAOYSA-N 2 1 233.359 1.882 20 0 BDADMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(C)n1 ZINC001579592499 986098982 /nfs/dbraw/zinc/09/89/82/986098982.db2.gz DCVDKHPXTNASKB-UHFFFAOYSA-N 2 1 233.359 1.882 20 0 BDADMP C[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001461798293 986156884 /nfs/dbraw/zinc/15/68/84/986156884.db2.gz XASUOSBZGPVXPJ-NWDGAFQWSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nn1 ZINC001579691644 986186675 /nfs/dbraw/zinc/18/66/75/986186675.db2.gz CZVDDEFXDPRTHJ-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1ncc(C[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)n1C ZINC001579878837 986295529 /nfs/dbraw/zinc/29/55/29/986295529.db2.gz ZBOWQPNDYIWVSX-ZIAGYGMSSA-N 2 1 248.374 1.350 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)n1 ZINC001579971777 986374264 /nfs/dbraw/zinc/37/42/64/986374264.db2.gz ZCYCIBPCAXDBSO-JSGCOSHPSA-N 2 1 248.374 1.371 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)n1 ZINC001579971777 986374279 /nfs/dbraw/zinc/37/42/79/986374279.db2.gz ZCYCIBPCAXDBSO-JSGCOSHPSA-N 2 1 248.374 1.371 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccnc2N)C1 ZINC001206566208 986424344 /nfs/dbraw/zinc/42/43/44/986424344.db2.gz YIYFXVPLKHVDQG-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(N)n2)C1 ZINC001206566244 986425134 /nfs/dbraw/zinc/42/51/34/986425134.db2.gz ZARMVJYYFJQFEK-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCOCC3)[C@H]2C1 ZINC001462668164 986495734 /nfs/dbraw/zinc/49/57/34/986495734.db2.gz MUBYTEQIIJKMDY-CRWXNKLISA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)CC[C@@H]1O ZINC001254515913 986658367 /nfs/dbraw/zinc/65/83/67/986658367.db2.gz GKLQYANRTFLHIT-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC[C@@H]1O ZINC001254515913 986658381 /nfs/dbraw/zinc/65/83/81/986658381.db2.gz GKLQYANRTFLHIT-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC[C@@H]1O ZINC001254515913 986658390 /nfs/dbraw/zinc/65/83/90/986658390.db2.gz GKLQYANRTFLHIT-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)C1CCCC1 ZINC001580229712 986659747 /nfs/dbraw/zinc/65/97/47/986659747.db2.gz SLWZAROYVVWNBE-XQHKEYJVSA-N 2 1 224.348 1.128 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CCSC(F)(F)F)C1CC1 ZINC001580228420 986675277 /nfs/dbraw/zinc/67/52/77/986675277.db2.gz APCHMXFSCZLPAE-SSDOTTSWSA-N 2 1 228.283 1.566 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](CC2CC3(CCC3)C2)CCO1 ZINC001580274746 986724637 /nfs/dbraw/zinc/72/46/37/986724637.db2.gz ORQAFOBAEXKEAP-GFCCVEGCSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)CCO1 ZINC001580274746 986724655 /nfs/dbraw/zinc/72/46/55/986724655.db2.gz ORQAFOBAEXKEAP-GFCCVEGCSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]CCC[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001580298622 986737752 /nfs/dbraw/zinc/73/77/52/986737752.db2.gz RCYIENXWOUERSJ-CQSZACIVSA-N 2 1 234.343 1.799 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1 ZINC001580337442 986783051 /nfs/dbraw/zinc/78/30/51/986783051.db2.gz ZASLSSLMOSZPMF-QLFBSQMISA-N 2 1 246.354 1.348 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(OC)OC ZINC001255945611 987083768 /nfs/dbraw/zinc/08/37/68/987083768.db2.gz HFUSFCUXADENLI-LLVKDONJSA-N 2 1 232.368 1.315 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000691642814 987288358 /nfs/dbraw/zinc/28/83/58/987288358.db2.gz IEIHZSFVEQDZTH-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246023144 987312999 /nfs/dbraw/zinc/31/29/99/987312999.db2.gz OIDYTLLMWZNTBR-QJPTWQEYSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC001246023355 987314868 /nfs/dbraw/zinc/31/48/68/987314868.db2.gz POFYMBKXUNEIED-IJLUTSLNSA-N 2 1 228.380 1.453 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC001246023355 987314872 /nfs/dbraw/zinc/31/48/72/987314872.db2.gz POFYMBKXUNEIED-IJLUTSLNSA-N 2 1 228.380 1.453 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000693737739 987315156 /nfs/dbraw/zinc/31/51/56/987315156.db2.gz GOZGTVVTKLPBOP-RISCZKNCSA-N 2 1 248.374 1.734 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000693737739 987315165 /nfs/dbraw/zinc/31/51/65/987315165.db2.gz GOZGTVVTKLPBOP-RISCZKNCSA-N 2 1 248.374 1.734 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246024434 987318517 /nfs/dbraw/zinc/31/85/17/987318517.db2.gz VRLLHPBILBQEMA-MCIONIFRSA-N 2 1 242.407 1.844 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246023972 987320289 /nfs/dbraw/zinc/32/02/89/987320289.db2.gz TUOLEYNNCUDOMO-NEPJUHHUSA-N 2 1 214.353 1.208 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028357 987323429 /nfs/dbraw/zinc/32/34/29/987323429.db2.gz BFWUWWBTXDDOIV-OLZOCXBDSA-N 2 1 228.380 1.598 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246031476 987329146 /nfs/dbraw/zinc/32/91/46/987329146.db2.gz QBHWLCCBOCGZGW-FRRDWIJNSA-N 2 1 228.380 1.310 20 0 BDADMP CC(C)OC1CC([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001473114902 987336687 /nfs/dbraw/zinc/33/66/87/987336687.db2.gz FUNCEOKKMRNJQG-MPEURRAXSA-N 2 1 224.348 1.094 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697090432 987350288 /nfs/dbraw/zinc/35/02/88/987350288.db2.gz ZGQOYLCAISBLKP-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697090432 987350294 /nfs/dbraw/zinc/35/02/94/987350294.db2.gz ZGQOYLCAISBLKP-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000697090008 987350344 /nfs/dbraw/zinc/35/03/44/987350344.db2.gz WSSKPGOHEJNAHU-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246071720 987356423 /nfs/dbraw/zinc/35/64/23/987356423.db2.gz CDIPUQWLDSYVTF-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246071717 987357375 /nfs/dbraw/zinc/35/73/75/987357375.db2.gz CDIPUQWLDSYVTF-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC001246074578 987362474 /nfs/dbraw/zinc/36/24/74/987362474.db2.gz AOKRBQQPUIOIAL-BJDJZHNGSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C[C@H](C)O1 ZINC001246074581 987364029 /nfs/dbraw/zinc/36/40/29/987364029.db2.gz AOKRBQQPUIOIAL-WJTVCTBASA-N 2 1 226.364 1.673 20 0 BDADMP C[NH2+]C1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246075106 987364741 /nfs/dbraw/zinc/36/47/41/987364741.db2.gz DBHBDDOOEJAULQ-WTIISPKJSA-N 3 1 225.380 1.247 20 0 BDADMP C[C@@H](CC[NH2+]Cc1ccn(C)c1)[NH+](C)C ZINC000697881615 987365192 /nfs/dbraw/zinc/36/51/92/987365192.db2.gz WQRQIBSCEDXEDJ-NSHDSACASA-N 2 1 209.337 1.455 20 0 BDADMP Cc1nccn1CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000699638964 987376552 /nfs/dbraw/zinc/37/65/52/987376552.db2.gz HSLZWAQXKJZFRD-UONOGXRCSA-N 2 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000699638964 987376556 /nfs/dbraw/zinc/37/65/56/987376556.db2.gz HSLZWAQXKJZFRD-UONOGXRCSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000699638964 987376564 /nfs/dbraw/zinc/37/65/64/987376564.db2.gz HSLZWAQXKJZFRD-UONOGXRCSA-N 3 1 248.374 1.123 20 0 BDADMP [NH3+]CCCCCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246081048 987377074 /nfs/dbraw/zinc/37/70/74/987377074.db2.gz QVAOZXJFLDMZMI-CYBMUJFWSA-N 3 1 227.396 1.627 20 0 BDADMP Clc1cc(C[NH2+]C2CC[NH2+]CC2)ccn1 ZINC001246084208 987382948 /nfs/dbraw/zinc/38/29/48/987382948.db2.gz XQUURLFQTOJLBO-UHFFFAOYSA-N 2 1 225.723 1.577 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246086444 987385528 /nfs/dbraw/zinc/38/55/28/987385528.db2.gz AHRGTXPTCKMFOK-RKQHYHRCSA-N 3 1 239.407 1.493 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090126 987393592 /nfs/dbraw/zinc/39/35/92/987393592.db2.gz JBSPLAGOSLTEEV-MNOVXSKESA-N 2 1 228.336 1.060 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090861 987397552 /nfs/dbraw/zinc/39/75/52/987397552.db2.gz MCGJLQQRPOBWFH-JSGCOSHPSA-N 2 1 233.359 1.744 20 0 BDADMP F[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246091963 987398736 /nfs/dbraw/zinc/39/87/36/987398736.db2.gz MGPHLKMIALMLGR-MXWKQRLJSA-N 2 1 200.301 1.466 20 0 BDADMP C[C@H]1CC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246097526 987410981 /nfs/dbraw/zinc/41/09/81/987410981.db2.gz ORNCNGANRGCPNX-CSHRUCKSSA-N 3 1 235.375 1.023 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246101672 987422244 /nfs/dbraw/zinc/42/22/44/987422244.db2.gz AJHKRSBSFTYBTN-GRYCIOLGSA-N 2 1 242.363 1.306 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246101676 987423450 /nfs/dbraw/zinc/42/34/50/987423450.db2.gz AJHKRSBSFTYBTN-WOPDTQHZSA-N 2 1 242.363 1.306 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246102764 987430742 /nfs/dbraw/zinc/43/07/42/987430742.db2.gz WXEXGZILWZRRST-REWJHTLYSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108035 987436516 /nfs/dbraw/zinc/43/65/16/987436516.db2.gz BVLBOLLZIJCMSK-BJJPWKGXSA-N 3 1 237.391 1.105 20 0 BDADMP CC[C@@H]1CC([NH2+]CCC[NH2+]C)C[C@@H](CC)[NH2+]1 ZINC001246112736 987450255 /nfs/dbraw/zinc/45/02/55/987450255.db2.gz MQPCDQQAMWDHOQ-VXGBXAGGSA-N 3 1 227.396 1.495 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1C[NH2+][C@H]1CCCCNC1 ZINC001246114162 987451015 /nfs/dbraw/zinc/45/10/15/987451015.db2.gz UTVLQYILWGJMMA-RDBSUJKOSA-N 2 1 239.407 1.354 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116049 987456694 /nfs/dbraw/zinc/45/66/94/987456694.db2.gz DDTONTKGNMCQSY-GRYCIOLGSA-N 2 1 214.353 1.389 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC001246116442 987459678 /nfs/dbraw/zinc/45/96/78/987459678.db2.gz FIRTWWLCBPEPRT-MROQNXINSA-N 2 1 226.364 1.532 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246121845 987467044 /nfs/dbraw/zinc/46/70/44/987467044.db2.gz UKEJWJYXVMZHGQ-CHWSQXEVSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246127392 987473046 /nfs/dbraw/zinc/47/30/46/987473046.db2.gz KKIOMTJLYRLMAF-IGQOVBAYSA-N 3 1 237.391 1.106 20 0 BDADMP CSCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127124 987473205 /nfs/dbraw/zinc/47/32/05/987473205.db2.gz ANZOQZUQKYTKQC-VHSXEESVSA-N 2 1 214.378 1.470 20 0 BDADMP COC(=O)CCCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246129055 987476854 /nfs/dbraw/zinc/47/68/54/987476854.db2.gz OWHHRUSPNMPCJL-NEPJUHHUSA-N 2 1 242.363 1.450 20 0 BDADMP CC[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC001246127672 987478661 /nfs/dbraw/zinc/47/86/61/987478661.db2.gz MDEAEKUMOUPLFY-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC[NH2+]C1)C2 ZINC001246131474 987482355 /nfs/dbraw/zinc/48/23/55/987482355.db2.gz YRFSQOOUWGNXCT-XDQVBPFNSA-N 2 1 237.391 1.343 20 0 BDADMP c1nc2c(s1)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246131475 987485318 /nfs/dbraw/zinc/48/53/18/987485318.db2.gz YSCRLXMUPPFSQN-UWVGGRQHSA-N 2 1 237.372 1.342 20 0 BDADMP C1CC12C[NH2+]C[C@H]2[NH2+][C@@H]1CCCSC1 ZINC001246136534 987491636 /nfs/dbraw/zinc/49/16/36/987491636.db2.gz XOUXNJADAFUMJR-NXEZZACHSA-N 2 1 212.362 1.224 20 0 BDADMP CCCC[C@H](CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246137541 987495334 /nfs/dbraw/zinc/49/53/34/987495334.db2.gz ZGNLSOHPMBHABJ-UMSGYPCISA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246155654 987517228 /nfs/dbraw/zinc/51/72/28/987517228.db2.gz WPMDDHIZQKQDTH-WHOHXGKFSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246162353 987519780 /nfs/dbraw/zinc/51/97/80/987519780.db2.gz OZWGTRDCUMUHBX-KGLIPLIRSA-N 3 1 239.407 1.593 20 0 BDADMP C([NH2+]C1CCC2(C[NH2+]C2)CC1)[C@@H]1CCCC[NH2+]1 ZINC001246167331 987527332 /nfs/dbraw/zinc/52/73/32/987527332.db2.gz FPTIGLZCPWJMLR-ZDUSSCGKSA-N 3 1 237.391 1.250 20 0 BDADMP CC(C)(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246172986 987534420 /nfs/dbraw/zinc/53/44/20/987534420.db2.gz FOLZRFKJFOCFQN-ZACCUICWSA-N 2 1 224.348 1.474 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCCC[NH+](C)C)C[NH2+]1 ZINC001246174819 987544857 /nfs/dbraw/zinc/54/48/57/987544857.db2.gz XFHVDXSBHKUTDI-STQMWFEESA-N 3 1 227.396 1.448 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]1 ZINC001246185125 987562822 /nfs/dbraw/zinc/56/28/22/987562822.db2.gz RUJBKDBDXUGXMK-XGFWRYKXSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)C[NH2+]1 ZINC001246184486 987563515 /nfs/dbraw/zinc/56/35/15/987563515.db2.gz SKZLXBOEAFBPBA-FRRDWIJNSA-N 3 1 237.391 1.106 20 0 BDADMP C1CC1([NH2+][C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001246194459 987585809 /nfs/dbraw/zinc/58/58/09/987585809.db2.gz HRARTCGGFYCONK-LBPRGKRZSA-N 2 1 224.348 1.287 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246205195 987602095 /nfs/dbraw/zinc/60/20/95/987602095.db2.gz MCCCPNQIFGCSFY-KVSVUVNWSA-N 3 1 223.364 1.129 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206016 987602853 /nfs/dbraw/zinc/60/28/53/987602853.db2.gz WHSSQZNXHROGPA-YIYPIFLZSA-N 3 1 239.407 1.623 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCCO)C1 ZINC001116505163 987609222 /nfs/dbraw/zinc/60/92/22/987609222.db2.gz CMXBZZBYAYCUNF-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CCOCC2)CC[NH2+]1 ZINC001246216563 987613753 /nfs/dbraw/zinc/61/37/53/987613753.db2.gz MCAMLYDNZWELKF-GHMZBOCLSA-N 2 1 230.327 1.235 20 0 BDADMP C[N@@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246230624 987630512 /nfs/dbraw/zinc/63/05/12/987630512.db2.gz GIPAPOPPXTVEAC-HPCMXSDISA-N 3 1 237.391 1.471 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246244232 987644903 /nfs/dbraw/zinc/64/49/03/987644903.db2.gz LGRCLCQUOUMUNZ-AGIUHOORSA-N 3 1 225.380 1.249 20 0 BDADMP CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246270273 987656034 /nfs/dbraw/zinc/65/60/34/987656034.db2.gz FLOBLSRXJDPKQM-SRVKXCTJSA-N 2 1 226.364 1.864 20 0 BDADMP OC12CCC([NH2+][C@@H]3CCC[NH2+]C3)(CC1)CC2 ZINC001246264991 987657850 /nfs/dbraw/zinc/65/78/50/987657850.db2.gz MLCBOANPKVIVTL-PNESKVBLSA-N 2 1 224.348 1.166 20 0 BDADMP CC(=O)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246269437 987662303 /nfs/dbraw/zinc/66/23/03/987662303.db2.gz LLTALWMLPWCONL-UHFFFAOYSA-N 2 1 232.327 1.731 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246275178 987668336 /nfs/dbraw/zinc/66/83/36/987668336.db2.gz YEUPSVNBWZKETO-FKJOKYEKSA-N 3 1 223.364 1.001 20 0 BDADMP CCc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001474303107 987681164 /nfs/dbraw/zinc/68/11/64/987681164.db2.gz QHAPUVSGLVAFPX-ZKYQVNSYSA-N 2 1 249.358 1.667 20 0 BDADMP CCc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001474303107 987681165 /nfs/dbraw/zinc/68/11/65/987681165.db2.gz QHAPUVSGLVAFPX-ZKYQVNSYSA-N 2 1 249.358 1.667 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303316 987683279 /nfs/dbraw/zinc/68/32/79/987683279.db2.gz XGCRAMOHIMRFSL-RWMBFGLXSA-N 2 1 247.342 1.217 20 0 BDADMP CC(C)C1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246303176 987700993 /nfs/dbraw/zinc/70/09/93/987700993.db2.gz DWOFYKVRGCSNOL-YIOUJQMASA-N 2 1 240.391 1.371 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246306183 987702995 /nfs/dbraw/zinc/70/29/95/987702995.db2.gz QLFUCLUPNYQJFJ-SDDRHHMPSA-N 3 1 213.369 1.090 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[NH2+]1 ZINC001246316039 987719200 /nfs/dbraw/zinc/71/92/00/987719200.db2.gz OKVIZYYGSYKQLH-FDEJFUCISA-N 2 1 246.354 1.375 20 0 BDADMP COC(CCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1)OC ZINC001246338735 987749131 /nfs/dbraw/zinc/74/91/31/987749131.db2.gz CKSJVYSPFKNFOY-QWRGUYRKSA-N 2 1 230.352 1.116 20 0 BDADMP COC(CCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)OC ZINC001246338733 987750560 /nfs/dbraw/zinc/75/05/60/987750560.db2.gz CKSJVYSPFKNFOY-MNOVXSKESA-N 2 1 230.352 1.116 20 0 BDADMP C[C@@H]1CC[C@H](NCCCc2cccc(N)c2)C[NH2+]1 ZINC001246352579 987762179 /nfs/dbraw/zinc/76/21/79/987762179.db2.gz SFQAIVUYMMKUGZ-DOMZBBRYSA-N 2 1 247.386 1.932 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCc2cccc(N)c2)C[NH2+]1 ZINC001246352579 987762184 /nfs/dbraw/zinc/76/21/84/987762184.db2.gz SFQAIVUYMMKUGZ-DOMZBBRYSA-N 2 1 247.386 1.932 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C[NH2+]1 ZINC001246366481 987772593 /nfs/dbraw/zinc/77/25/93/987772593.db2.gz JMBXTSXPNYXUMW-AAVRWANBSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)C[NH2+]1 ZINC001246380874 987775606 /nfs/dbraw/zinc/77/56/06/987775606.db2.gz YWUSHIITBRADNE-WCQYABFASA-N 3 1 237.391 1.249 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cncn2C2CCC2)CC[NH2+]1 ZINC001246389319 987778508 /nfs/dbraw/zinc/77/85/08/987778508.db2.gz AKKXLZVGEYEKAM-NWDGAFQWSA-N 2 1 248.374 1.838 20 0 BDADMP CCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246402640 987784956 /nfs/dbraw/zinc/78/49/56/987784956.db2.gz XSVLCGYPTRFNGJ-MNOVXSKESA-N 2 1 230.352 1.435 20 0 BDADMP CCC1([NH2+][C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246423126 987793965 /nfs/dbraw/zinc/79/39/65/987793965.db2.gz IIWAUISTZFFWLH-NEPJUHHUSA-N 3 1 225.380 1.249 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2CCF)CC[NH2+]1 ZINC001246427276 987795253 /nfs/dbraw/zinc/79/52/53/987795253.db2.gz KBFJPVIEFRWUKH-GHMZBOCLSA-N 2 1 240.326 1.083 20 0 BDADMP CCC1([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCOCC1 ZINC001246442445 987799483 /nfs/dbraw/zinc/79/94/83/987799483.db2.gz SGKMPFVQGQLFJQ-VXGBXAGGSA-N 2 1 226.364 1.676 20 0 BDADMP Cc1cccc([C@@H](CO)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246444534 987801942 /nfs/dbraw/zinc/80/19/42/987801942.db2.gz CIVRXPMZCBVINS-NWANDNLSSA-N 2 1 248.370 1.759 20 0 BDADMP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC13C[NH2+]C3)CS2 ZINC001246444260 987802569 /nfs/dbraw/zinc/80/25/69/987802569.db2.gz JLGAHZYKBKGPPC-WCQYABFASA-N 2 1 246.379 1.655 20 0 BDADMP Cc1cccc([C@@H](CO)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246444532 987803397 /nfs/dbraw/zinc/80/33/97/987803397.db2.gz CIVRXPMZCBVINS-AEGPPILISA-N 2 1 248.370 1.759 20 0 BDADMP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)CS2 ZINC001246444259 987803759 /nfs/dbraw/zinc/80/37/59/987803759.db2.gz JLGAHZYKBKGPPC-DGCLKSJQSA-N 2 1 246.379 1.655 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CNc3ccccc32)C[NH2+]1 ZINC001246472594 987827760 /nfs/dbraw/zinc/82/77/60/987827760.db2.gz HCFALZWURIUIQG-FRRDWIJNSA-N 2 1 245.370 1.926 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246492399 987846225 /nfs/dbraw/zinc/84/62/25/987846225.db2.gz WYRNTTCXVXCKJR-NEPJUHHUSA-N 2 1 213.369 1.106 20 0 BDADMP CCCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246490143 987844480 /nfs/dbraw/zinc/84/44/80/987844480.db2.gz OJZIKONNHHPDEY-STQMWFEESA-N 2 1 227.396 1.496 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246492401 987846263 /nfs/dbraw/zinc/84/62/63/987846263.db2.gz WYRNTTCXVXCKJR-RYUDHWBXSA-N 2 1 213.369 1.106 20 0 BDADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H](C)CC[NH3+])CC[NH2+]1 ZINC001246512603 987862813 /nfs/dbraw/zinc/86/28/13/987862813.db2.gz LBSKUPMYKLZLHF-AVGNSLFASA-N 3 1 227.396 1.624 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](NC2CC[NH2+]CC2)[C@@H](C)C1 ZINC001246516455 987866879 /nfs/dbraw/zinc/86/68/79/987866879.db2.gz UCQHFWWUUMKUKF-GXTWGEPZSA-N 2 1 239.407 1.447 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H](C)C1 ZINC001246516455 987866885 /nfs/dbraw/zinc/86/68/85/987866885.db2.gz UCQHFWWUUMKUKF-GXTWGEPZSA-N 3 1 239.407 1.447 20 0 BDADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H](C)C1 ZINC001246516455 987866890 /nfs/dbraw/zinc/86/68/90/987866890.db2.gz UCQHFWWUUMKUKF-GXTWGEPZSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520719 987870905 /nfs/dbraw/zinc/87/09/05/987870905.db2.gz VMECDXCLVXAEFX-XQQFMLRXSA-N 2 1 237.391 1.343 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC001246528984 987882178 /nfs/dbraw/zinc/88/21/78/987882178.db2.gz PUKNAHVGNQWTDT-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CCCNCC1)C2 ZINC001246525889 987879276 /nfs/dbraw/zinc/87/92/76/987879276.db2.gz SYYQZIDFKVMNAX-KGLIPLIRSA-N 2 1 237.391 1.204 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H](N1CCC[NH2+]CC1)C2 ZINC001246525889 987879282 /nfs/dbraw/zinc/87/92/82/987879282.db2.gz SYYQZIDFKVMNAX-KGLIPLIRSA-N 2 1 237.391 1.204 20 0 BDADMP N[C@@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533400 987888940 /nfs/dbraw/zinc/88/89/40/987888940.db2.gz NIIVNYFAFLRHSK-QWHCGFSZSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533400 987888943 /nfs/dbraw/zinc/88/89/43/987888943.db2.gz NIIVNYFAFLRHSK-QWHCGFSZSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533400 987888946 /nfs/dbraw/zinc/88/89/46/987888946.db2.gz NIIVNYFAFLRHSK-QWHCGFSZSA-N 3 1 249.402 1.332 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2Cc3cccc(F)c3C2)C[C@H]1C[NH3+] ZINC001246544759 987917462 /nfs/dbraw/zinc/91/74/62/987917462.db2.gz YQKURBTUXUDTEQ-CYZMBNFOSA-N 2 1 248.345 1.820 20 0 BDADMP CC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545606 987918097 /nfs/dbraw/zinc/91/80/97/987918097.db2.gz BWALIAQWCDLAIY-QWRGUYRKSA-N 2 1 202.317 1.938 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246544752 987919974 /nfs/dbraw/zinc/91/99/74/987919974.db2.gz YNDUOTOBTZGEAB-WODVXLOZSA-N 2 1 224.348 1.510 20 0 BDADMP C[C@@]1(O)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246547394 987926062 /nfs/dbraw/zinc/92/60/62/987926062.db2.gz HZDKCUKYDNBQPU-QNMSZWNNSA-N 2 1 238.375 1.506 20 0 BDADMP CCOC(=O)CC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547302 987931864 /nfs/dbraw/zinc/93/18/64/987931864.db2.gz OZDRJISGTGWFRD-SRVKXCTJSA-N 2 1 242.363 1.530 20 0 BDADMP CCOC(=O)CC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547302 987931904 /nfs/dbraw/zinc/93/19/04/987931904.db2.gz OZDRJISGTGWFRD-SRVKXCTJSA-N 2 1 242.363 1.530 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246548390 987933918 /nfs/dbraw/zinc/93/39/18/987933918.db2.gz TVLOEZJUKZTTEZ-UTUOFQBUSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246551029 987941460 /nfs/dbraw/zinc/94/14/60/987941460.db2.gz JYDQTPGYGOOANH-CHWSQXEVSA-N 3 1 225.380 1.332 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246551029 987941474 /nfs/dbraw/zinc/94/14/74/987941474.db2.gz JYDQTPGYGOOANH-CHWSQXEVSA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246552267 987950856 /nfs/dbraw/zinc/95/08/56/987950856.db2.gz UCFHMUDHFZYGJG-LOWDOPEQSA-N 2 1 226.339 1.938 20 0 BDADMP Cc1cc(C[NH2+]CCCn2cc[nH+]c2C)[nH]n1 ZINC001321649946 987960798 /nfs/dbraw/zinc/96/07/98/987960798.db2.gz MKMDPLGMONKFIF-UHFFFAOYSA-N 2 1 233.319 1.403 20 0 BDADMP CC1(C)CCC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246556782 987964359 /nfs/dbraw/zinc/96/43/59/987964359.db2.gz DEJUXJXPQBWAAK-IJLUTSLNSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246555360 987966917 /nfs/dbraw/zinc/96/69/17/987966917.db2.gz DUEHSHMGSRWCKP-RQJABVFESA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246555694 987969847 /nfs/dbraw/zinc/96/98/47/987969847.db2.gz HOMBRQIFRRRMOS-PEBLQZBPSA-N 2 1 237.391 1.044 20 0 BDADMP CCCC[C@@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557920 987977130 /nfs/dbraw/zinc/97/71/30/987977130.db2.gz JHGVFRPSZNQFEP-CHWSQXEVSA-N 2 1 228.380 1.741 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246557378 987978430 /nfs/dbraw/zinc/97/84/30/987978430.db2.gz LHVFVEVRDWOXFQ-CHWSQXEVSA-N 2 1 246.370 1.954 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246560601 987983772 /nfs/dbraw/zinc/98/37/72/987983772.db2.gz QPZMZOQXQUPXPA-AGIUHOORSA-N 3 1 227.396 1.291 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246561745 987997898 /nfs/dbraw/zinc/99/78/98/987997898.db2.gz LAXDLWAUHFLTLI-IHRRRGAJSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCOC2)CCC[C@@H]1C[NH3+] ZINC001246563053 988000502 /nfs/dbraw/zinc/00/05/02/988000502.db2.gz CAPJDRAFAIYQAM-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2)CCC[C@H]1C[NH3+] ZINC001246564729 988013486 /nfs/dbraw/zinc/01/34/86/988013486.db2.gz GJXRQVYCSQZCQT-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCCNC2)CCC[C@H]1C[NH3+] ZINC001246564729 988013501 /nfs/dbraw/zinc/01/35/01/988013501.db2.gz GJXRQVYCSQZCQT-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP CCSC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246566851 988034353 /nfs/dbraw/zinc/03/43/53/988034353.db2.gz GKCKNEMVIPUQPY-AXFHLTTASA-N 2 1 234.384 1.889 20 0 BDADMP CCSC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246566851 988034370 /nfs/dbraw/zinc/03/43/70/988034370.db2.gz GKCKNEMVIPUQPY-AXFHLTTASA-N 2 1 234.384 1.889 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246568150 988045493 /nfs/dbraw/zinc/04/54/93/988045493.db2.gz ZSSUDCDUHSYOMN-AGIUHOORSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246568150 988045509 /nfs/dbraw/zinc/04/55/09/988045509.db2.gz ZSSUDCDUHSYOMN-AGIUHOORSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+]([C@H]2CCCNC2)CC1 ZINC001246574050 988072912 /nfs/dbraw/zinc/07/29/12/988072912.db2.gz IBHNRBOYZOBWCD-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCCNC2)CC1 ZINC001246574050 988072925 /nfs/dbraw/zinc/07/29/25/988072925.db2.gz IBHNRBOYZOBWCD-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246577185 988093840 /nfs/dbraw/zinc/09/38/40/988093840.db2.gz NHSJEAAPDZASPZ-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246583783 988124646 /nfs/dbraw/zinc/12/46/46/988124646.db2.gz KSCFQKVCZHIOLD-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP c1cnn(CC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118222771 988124798 /nfs/dbraw/zinc/12/47/98/988124798.db2.gz GRGLVEXTGLIBHA-UHFFFAOYSA-N 2 1 248.374 1.349 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246582669 988128168 /nfs/dbraw/zinc/12/81/68/988128168.db2.gz SBMDWPVZQGNKIC-OLZOCXBDSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246589015 988151966 /nfs/dbraw/zinc/15/19/66/988151966.db2.gz QUJQVLMMIPILMO-WYUUTHIRSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246589015 988151972 /nfs/dbraw/zinc/15/19/72/988151972.db2.gz QUJQVLMMIPILMO-WYUUTHIRSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@@H]1CC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H](C)C1 ZINC001246589099 988157609 /nfs/dbraw/zinc/15/76/09/988157609.db2.gz YZYVOICBZIUTPA-MRBYEJRBSA-N 2 1 226.364 1.063 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(C)(C[NH3+])C1)C2 ZINC001246589610 988162900 /nfs/dbraw/zinc/16/29/00/988162900.db2.gz PTJKOPUOKQIXLI-CLLJXQQHSA-N 2 1 237.391 1.282 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246598337 988197053 /nfs/dbraw/zinc/19/70/53/988197053.db2.gz AIVHUCKXLITPKH-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC001495132990 988215860 /nfs/dbraw/zinc/21/58/60/988215860.db2.gz BRPHDJLHYOLTIE-GFCCVEGCSA-N 2 1 243.395 1.219 20 0 BDADMP CC[C@@H]1CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246624131 988285458 /nfs/dbraw/zinc/28/54/58/988285458.db2.gz CAPJRSNJKXCXMH-MGPQQGTHSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)C[NH2+]1 ZINC001246630164 988302975 /nfs/dbraw/zinc/30/29/75/988302975.db2.gz HICXIBDCTQHPCA-ZDCRXTMVSA-N 2 1 230.302 1.714 20 0 BDADMP FC1(F)C[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC001246629024 988305475 /nfs/dbraw/zinc/30/54/75/988305475.db2.gz DFYLIOZGCIWZRN-SCZZXKLOSA-N 2 1 216.275 1.325 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC[NH2+]1 ZINC001246634758 988322170 /nfs/dbraw/zinc/32/21/70/988322170.db2.gz OVRSTOCMZSOMAM-VLEAKVRGSA-N 2 1 230.302 1.714 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC[NH2+]1 ZINC001246634760 988322543 /nfs/dbraw/zinc/32/25/43/988322543.db2.gz OVRSTOCMZSOMAM-ZNSHCXBVSA-N 2 1 230.302 1.714 20 0 BDADMP C1NCC12CCC[N@@H+]2[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246640502 988338435 /nfs/dbraw/zinc/33/84/35/988338435.db2.gz DTCQHACLEOGOMB-KBPBESRZSA-N 2 1 249.402 1.347 20 0 BDADMP C1NCC12CCC[N@H+]2[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246640502 988338451 /nfs/dbraw/zinc/33/84/51/988338451.db2.gz DTCQHACLEOGOMB-KBPBESRZSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639031 988342952 /nfs/dbraw/zinc/34/29/52/988342952.db2.gz MXVUVTOTOOKDLZ-CHWSQXEVSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639031 988342972 /nfs/dbraw/zinc/34/29/72/988342972.db2.gz MXVUVTOTOOKDLZ-CHWSQXEVSA-N 3 1 237.391 1.202 20 0 BDADMP CO[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641526 988344220 /nfs/dbraw/zinc/34/42/20/988344220.db2.gz JAMYRKQKNUTUBY-MROQNXINSA-N 2 1 224.348 1.380 20 0 BDADMP COC1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246641722 988344305 /nfs/dbraw/zinc/34/43/05/988344305.db2.gz XJTDPPVDIDVSGF-FIYWTHMPSA-N 2 1 224.348 1.380 20 0 BDADMP C[NH2+]CC[C@H](C)N1CCC2(CC[NH2+]CC2)CC1 ZINC001246656711 988384859 /nfs/dbraw/zinc/38/48/59/988384859.db2.gz VGMDCQVMWKWQPO-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H]1CNCC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246675860 988421640 /nfs/dbraw/zinc/42/16/40/988421640.db2.gz YOIXEGOZXJYYTJ-MELADBBJSA-N 2 1 237.391 1.202 20 0 BDADMP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246678614 988424918 /nfs/dbraw/zinc/42/49/18/988424918.db2.gz OVRUQCBBKCWXRN-HTYKTIJTSA-N 2 1 234.343 1.465 20 0 BDADMP CCCC[N@@H+](CCC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246776699 988455237 /nfs/dbraw/zinc/45/52/37/988455237.db2.gz LPJBHGXATZNCAL-CYBMUJFWSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CCC3(CCCO3)CC2)CC[NH2+]1 ZINC001246803833 988486551 /nfs/dbraw/zinc/48/65/51/988486551.db2.gz DLXSJMZXSCPYGB-QWHCGFSZSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCCCC23COC3)CC[NH2+]1 ZINC001246808182 988488515 /nfs/dbraw/zinc/48/85/15/988488515.db2.gz RZBRNQHTIOFMHS-NWDGAFQWSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCCC23COC3)CC[NH2+]1 ZINC001246808182 988488524 /nfs/dbraw/zinc/48/85/24/988488524.db2.gz RZBRNQHTIOFMHS-NWDGAFQWSA-N 2 1 224.348 1.382 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCNCC2(C)C)CC1 ZINC001246811068 988497097 /nfs/dbraw/zinc/49/70/97/988497097.db2.gz RBGPNDRBVFTOAQ-UHFFFAOYSA-N 2 1 225.380 1.201 20 0 BDADMP C[NH2+]C1CCC(N2CC[NH2+]CC2(C)C)CC1 ZINC001246811068 988497108 /nfs/dbraw/zinc/49/71/08/988497108.db2.gz RBGPNDRBVFTOAQ-UHFFFAOYSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCc2cccnc2)CC[NH2+]1 ZINC001246814445 988497133 /nfs/dbraw/zinc/49/71/33/988497133.db2.gz PFFFWGXPPJXRGH-GXTWGEPZSA-N 2 1 233.359 1.696 20 0 BDADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[nH]n1 ZINC001323331456 988500108 /nfs/dbraw/zinc/50/01/08/988500108.db2.gz PTFMSCPMMWSEKR-OCCSQVGLSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n[nH]1 ZINC001323331456 988500113 /nfs/dbraw/zinc/50/01/13/988500113.db2.gz PTFMSCPMMWSEKR-OCCSQVGLSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n[nH]1 ZINC001323331456 988500121 /nfs/dbraw/zinc/50/01/21/988500121.db2.gz PTFMSCPMMWSEKR-OCCSQVGLSA-N 2 1 248.374 1.634 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246829567 988520189 /nfs/dbraw/zinc/52/01/89/988520189.db2.gz MEXMFPNYMREQLD-SDDRHHMPSA-N 2 1 240.347 1.012 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246850130 988564029 /nfs/dbraw/zinc/56/40/29/988564029.db2.gz HDECSRSKWOVIKJ-LLVKDONJSA-N 2 1 210.321 1.039 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001246855628 988578591 /nfs/dbraw/zinc/57/85/91/988578591.db2.gz VCEHXFFWHMDBME-HUBLWGQQSA-N 2 1 246.329 1.716 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C[NH2+]1 ZINC001246859629 988591616 /nfs/dbraw/zinc/59/16/16/988591616.db2.gz MCQSAYOBCKQKOL-SVNGYHJRSA-N 2 1 212.312 1.559 20 0 BDADMP CC1(C)CC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861979 988600766 /nfs/dbraw/zinc/60/07/66/988600766.db2.gz SUPBWNBYOOSWNS-DAAZQVBGSA-N 2 1 238.375 1.471 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001246866302 988618702 /nfs/dbraw/zinc/61/87/02/988618702.db2.gz JDAMVCQPILZKIQ-AHPWVWPOSA-N 3 1 237.391 1.201 20 0 BDADMP C[NH2+]C1CCC(N2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001246866302 988618710 /nfs/dbraw/zinc/61/87/10/988618710.db2.gz JDAMVCQPILZKIQ-AHPWVWPOSA-N 2 1 237.391 1.201 20 0 BDADMP C(OC[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1)C1CC1 ZINC001246867081 988619030 /nfs/dbraw/zinc/61/90/30/988619030.db2.gz WMEHXAHONMXLAI-CYBMUJFWSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@H+](CCNC)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246890293 988658754 /nfs/dbraw/zinc/65/87/54/988658754.db2.gz IPJIFPVEBSSUMG-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CCNC)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246890293 988658763 /nfs/dbraw/zinc/65/87/63/988658763.db2.gz IPJIFPVEBSSUMG-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246892355 988663229 /nfs/dbraw/zinc/66/32/29/988663229.db2.gz BMNZQZINDFKMEW-FKJOKYEKSA-N 2 1 222.332 1.180 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H]1C[NH3+])C2 ZINC001246906924 988678928 /nfs/dbraw/zinc/67/89/28/988678928.db2.gz CKWSKXZZSYTEAV-KGLIPLIRSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H]1C[NH3+])C2 ZINC001246906924 988678936 /nfs/dbraw/zinc/67/89/36/988678936.db2.gz CKWSKXZZSYTEAV-KGLIPLIRSA-N 2 1 246.354 1.586 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2C[NH3+])C1 ZINC001246913070 988700133 /nfs/dbraw/zinc/70/01/33/988700133.db2.gz JSXZIHJWAMCNJO-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2C[NH3+])C1 ZINC001246913070 988700145 /nfs/dbraw/zinc/70/01/45/988700145.db2.gz JSXZIHJWAMCNJO-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246915083 988705896 /nfs/dbraw/zinc/70/58/96/988705896.db2.gz LWXBNXFDFBNIKN-YNEHKIRRSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246915083 988705909 /nfs/dbraw/zinc/70/59/09/988705909.db2.gz LWXBNXFDFBNIKN-YNEHKIRRSA-N 2 1 226.364 1.484 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1[C@H]1CCc2ncsc2C1 ZINC001246917479 988713652 /nfs/dbraw/zinc/71/36/52/988713652.db2.gz RAAVGDSCEKNUSP-VHSXEESVSA-N 2 1 237.372 1.424 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1CCc2ncsc2C1 ZINC001246917479 988713667 /nfs/dbraw/zinc/71/36/67/988713667.db2.gz RAAVGDSCEKNUSP-VHSXEESVSA-N 2 1 237.372 1.424 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001246916069 988717322 /nfs/dbraw/zinc/71/73/22/988717322.db2.gz XFKRJSAEQOTIBM-CYBMUJFWSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC001246919495 988728686 /nfs/dbraw/zinc/72/86/86/988728686.db2.gz NINLNVKXPLGNEA-QNWJLWSRSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC001246919495 988728704 /nfs/dbraw/zinc/72/87/04/988728704.db2.gz NINLNVKXPLGNEA-QNWJLWSRSA-N 2 1 208.349 1.715 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246939796 988770031 /nfs/dbraw/zinc/77/00/31/988770031.db2.gz HFASLDCLBDJPFG-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246971945 988799315 /nfs/dbraw/zinc/79/93/15/988799315.db2.gz AYOFFTFWUIUKGR-GFCCVEGCSA-N 3 1 239.407 1.591 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246971945 988799326 /nfs/dbraw/zinc/79/93/26/988799326.db2.gz AYOFFTFWUIUKGR-GFCCVEGCSA-N 3 1 239.407 1.591 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccncc1 ZINC001246974318 988804218 /nfs/dbraw/zinc/80/42/18/988804218.db2.gz PLVDFJIYVHEKHH-AAEUAGOBSA-N 2 1 221.348 1.682 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccncc1 ZINC001246974318 988804225 /nfs/dbraw/zinc/80/42/25/988804225.db2.gz PLVDFJIYVHEKHH-AAEUAGOBSA-N 2 1 221.348 1.682 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001246980045 988812209 /nfs/dbraw/zinc/81/22/09/988812209.db2.gz HGJOOHLKWLCKFY-DTWKUNHWSA-N 2 1 225.361 1.279 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001246980045 988812213 /nfs/dbraw/zinc/81/22/13/988812213.db2.gz HGJOOHLKWLCKFY-DTWKUNHWSA-N 2 1 225.361 1.279 20 0 BDADMP C[C@H]([NH3+])Cc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001119062246 988824727 /nfs/dbraw/zinc/82/47/27/988824727.db2.gz IWMRTRAOQZDNQL-KWQFWETISA-N 2 1 232.287 1.007 20 0 BDADMP C1=C2NCC[N@H+]([C@H]3CCC4(C[NH2+]C4)C3)[C@@H]2CCC1 ZINC001246991454 988825110 /nfs/dbraw/zinc/82/51/10/988825110.db2.gz BAVRKVQZCGBKNJ-GXTWGEPZSA-N 2 1 247.386 1.470 20 0 BDADMP CCCC[C@H](CC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990776 988825123 /nfs/dbraw/zinc/82/51/23/988825123.db2.gz QKVMSBNPGIUAKO-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP CCCC[C@H](CC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990776 988825127 /nfs/dbraw/zinc/82/51/27/988825127.db2.gz QKVMSBNPGIUAKO-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246996250 988829111 /nfs/dbraw/zinc/82/91/11/988829111.db2.gz WSHLPLDFTKJRBW-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)CC[NH2+]1 ZINC001247000846 988834002 /nfs/dbraw/zinc/83/40/02/988834002.db2.gz HCJYAXDEXOKGLS-XQHKEYJVSA-N 2 1 236.359 1.428 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247005140 988834609 /nfs/dbraw/zinc/83/46/09/988834609.db2.gz GERRHROTXWKCAJ-IHRRRGAJSA-N 2 1 237.391 1.155 20 0 BDADMP C1C[NH2+][C@H]2CC[N@@H+](C3CCSCC3)C[C@@H]2C1 ZINC001247013115 988839562 /nfs/dbraw/zinc/83/95/62/988839562.db2.gz FVZISJGXGHJQIP-AAEUAGOBSA-N 2 1 240.416 1.956 20 0 BDADMP C1C[NH2+][C@H]2CC[N@H+](C3CCSCC3)C[C@@H]2C1 ZINC001247013115 988839565 /nfs/dbraw/zinc/83/95/65/988839565.db2.gz FVZISJGXGHJQIP-AAEUAGOBSA-N 2 1 240.416 1.956 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017129 988843647 /nfs/dbraw/zinc/84/36/47/988843647.db2.gz ZVSNLINUDRTWSX-AAVRWANBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017129 988843648 /nfs/dbraw/zinc/84/36/48/988843648.db2.gz ZVSNLINUDRTWSX-AAVRWANBSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)CCC[N@@H+](CCNc2cc(N)ncn2)C1 ZINC001515704121 989102569 /nfs/dbraw/zinc/10/25/69/989102569.db2.gz XDCKCXUAWRZELM-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCc2c1cnn2C ZINC001325720197 989236871 /nfs/dbraw/zinc/23/68/71/989236871.db2.gz DRYGTFGOISBWDF-PWSUYJOCSA-N 2 1 236.363 1.385 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC001325719217 989237888 /nfs/dbraw/zinc/23/78/88/989237888.db2.gz VWBFDMRNCKPYQQ-KBPBESRZSA-N 3 1 241.423 1.825 20 0 BDADMP CCN1CCC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC001325719217 989237898 /nfs/dbraw/zinc/23/78/98/989237898.db2.gz VWBFDMRNCKPYQQ-KBPBESRZSA-N 2 1 241.423 1.825 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001325718169 989238442 /nfs/dbraw/zinc/23/84/42/989238442.db2.gz QQENGEMTFHJQIE-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001119631307 989266264 /nfs/dbraw/zinc/26/62/64/989266264.db2.gz RSIXNTOAMKBOGZ-QJPTWQEYSA-N 3 1 227.396 1.338 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC001326036497 989336200 /nfs/dbraw/zinc/33/62/00/989336200.db2.gz HRGSPGCTVHUCRU-YNEHKIRRSA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC001326036497 989336209 /nfs/dbraw/zinc/33/62/09/989336209.db2.gz HRGSPGCTVHUCRU-YNEHKIRRSA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC001326036497 989336219 /nfs/dbraw/zinc/33/62/19/989336219.db2.gz HRGSPGCTVHUCRU-YNEHKIRRSA-N 3 1 227.396 1.434 20 0 BDADMP CC[C@H](CO)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001119852919 989446870 /nfs/dbraw/zinc/44/68/70/989446870.db2.gz YSHZNXNWPYSSCS-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC(C)(C)[NH3+])C[C@H]2C1 ZINC001120269337 989623992 /nfs/dbraw/zinc/62/39/92/989623992.db2.gz QCTKZWNISAAZRL-YNEHKIRRSA-N 3 1 239.407 1.386 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](CC(C)(C)N)C[C@H]2C1 ZINC001120269337 989623993 /nfs/dbraw/zinc/62/39/93/989623993.db2.gz QCTKZWNISAAZRL-YNEHKIRRSA-N 2 1 239.407 1.386 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC(C)(C)N)C[C@H]2C1 ZINC001120269337 989623997 /nfs/dbraw/zinc/62/39/97/989623997.db2.gz QCTKZWNISAAZRL-YNEHKIRRSA-N 2 1 239.407 1.386 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001120521373 989694954 /nfs/dbraw/zinc/69/49/54/989694954.db2.gz JPEYIHDJNGVGFF-TUAOUCFPSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001120855504 989923947 /nfs/dbraw/zinc/92/39/47/989923947.db2.gz NKYOZKRHQFOHHM-LBPRGKRZSA-N 2 1 219.332 1.860 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2)C1 ZINC001120864835 989933420 /nfs/dbraw/zinc/93/34/20/989933420.db2.gz PFLJGEWOVVTPRL-LBPRGKRZSA-N 2 1 219.332 1.647 20 0 BDADMP C[NH+](C)[C@@H](CNc1cc[nH+]c(N)n1)c1ccco1 ZINC001120876228 989940055 /nfs/dbraw/zinc/94/00/55/989940055.db2.gz RVNSRRRQAPKJPV-VIFPVBQESA-N 2 1 247.302 1.367 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258075783 990972653 /nfs/dbraw/zinc/97/26/53/990972653.db2.gz DYHRXTZTFKXNJG-CHWSQXEVSA-N 2 1 226.364 1.781 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258075783 990972657 /nfs/dbraw/zinc/97/26/57/990972657.db2.gz DYHRXTZTFKXNJG-CHWSQXEVSA-N 2 1 226.364 1.781 20 0 BDADMP C[C@@H](Cc1ccco1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258176930 991072950 /nfs/dbraw/zinc/07/29/50/991072950.db2.gz KVHKWQMENPZAFL-WDEREUQCSA-N 2 1 249.314 1.142 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)[C@@H]1CCCO1 ZINC001308984904 991253136 /nfs/dbraw/zinc/25/31/36/991253136.db2.gz QFHXKHLBJGQZKT-VJTDZRGJSA-N 2 1 238.375 1.484 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001560623084 991525561 /nfs/dbraw/zinc/52/55/61/991525561.db2.gz PUTTVOZIZMVYFN-MRVWCRGKSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001560623084 991525570 /nfs/dbraw/zinc/52/55/70/991525570.db2.gz PUTTVOZIZMVYFN-MRVWCRGKSA-N 2 1 248.374 1.158 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001258610519 991529562 /nfs/dbraw/zinc/52/95/62/991529562.db2.gz OZQNXABLQBMXBY-OCCSQVGLSA-N 2 1 233.359 1.554 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001258610517 991531747 /nfs/dbraw/zinc/53/17/47/991531747.db2.gz OZQNXABLQBMXBY-GXTWGEPZSA-N 2 1 233.359 1.554 20 0 BDADMP CC[N@@H+](CCNC(=O)C[NH2+]C(C)(C)C)C(C)C ZINC001318499646 991667990 /nfs/dbraw/zinc/66/79/90/991667990.db2.gz NHKUOHIZKCIPGS-UHFFFAOYSA-N 2 1 243.395 1.221 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425399 991673863 /nfs/dbraw/zinc/67/38/63/991673863.db2.gz IXMFTOIYPANSFW-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001258771641 991739418 /nfs/dbraw/zinc/73/94/18/991739418.db2.gz MPAMGCFTAGGTIE-OLZOCXBDSA-N 2 1 244.354 1.266 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001258771641 991739427 /nfs/dbraw/zinc/73/94/27/991739427.db2.gz MPAMGCFTAGGTIE-OLZOCXBDSA-N 2 1 244.354 1.266 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)on1 ZINC001474735786 991792749 /nfs/dbraw/zinc/79/27/49/991792749.db2.gz UWXULERXJITSMQ-LBPRGKRZSA-N 2 1 235.331 1.414 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001258807866 991810010 /nfs/dbraw/zinc/81/00/10/991810010.db2.gz LNFZSBLKRQWGDC-IJLUTSLNSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH+](C)C)[C@@H]1CCOC1 ZINC001319394425 991856097 /nfs/dbraw/zinc/85/60/97/991856097.db2.gz PJLALAGFRSMCRJ-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](C)(O)C1 ZINC001258910382 991897901 /nfs/dbraw/zinc/89/79/01/991897901.db2.gz QTHWLJBEOSPPCK-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)N1CC([NH+](C)C)C1 ZINC001258908108 991901485 /nfs/dbraw/zinc/90/14/85/991901485.db2.gz RKQRKJRQRUYGGC-ZDUSSCGKSA-N 2 1 241.423 1.743 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](CC)C1 ZINC001261566657 992389027 /nfs/dbraw/zinc/38/90/27/992389027.db2.gz VBJWZHKWJXHBSJ-VXGBXAGGSA-N 2 1 240.395 1.631 20 0 BDADMP COC1(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC001262012191 992600454 /nfs/dbraw/zinc/60/04/54/992600454.db2.gz NYELIDKHUZHIKJ-STQMWFEESA-N 2 1 238.375 1.582 20 0 BDADMP COC1(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCC1 ZINC001262012191 992600457 /nfs/dbraw/zinc/60/04/57/992600457.db2.gz NYELIDKHUZHIKJ-STQMWFEESA-N 2 1 238.375 1.582 20 0 BDADMP COC1(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCC1 ZINC001262012191 992600458 /nfs/dbraw/zinc/60/04/58/992600458.db2.gz NYELIDKHUZHIKJ-STQMWFEESA-N 2 1 238.375 1.582 20 0 BDADMP CCC[N@@H+](C)CC(=O)N1CCC([NH3+])(CC)CC1 ZINC001262044397 992630137 /nfs/dbraw/zinc/63/01/37/992630137.db2.gz GEMLYSMNQWYAKB-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP Cc1cc(C[NH2+]CCN)cc(C)c1OC(F)F ZINC001574135526 992810884 /nfs/dbraw/zinc/81/08/84/992810884.db2.gz UTAKDEVFVHPGLI-UHFFFAOYSA-N 2 1 244.285 1.953 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCCC[N@H+]([C@@H]1CCOC1)C2 ZINC001574801086 992912711 /nfs/dbraw/zinc/91/27/11/992912711.db2.gz NCRIOGFGOSLOBZ-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]C1)[C@]12C[C@H]1COC21CCC1 ZINC001574801577 992913490 /nfs/dbraw/zinc/91/34/90/992913490.db2.gz ROAFAUVKQKLLEZ-RWMBFGLXSA-N 2 1 236.359 1.287 20 0 BDADMP C(C1=NOCC1)[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001574800445 992913878 /nfs/dbraw/zinc/91/38/78/992913878.db2.gz IFTVFDGGJZYXTP-WCQYABFASA-N 2 1 237.347 1.227 20 0 BDADMP C(C1=NOCC1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001574800445 992913889 /nfs/dbraw/zinc/91/38/89/992913889.db2.gz IFTVFDGGJZYXTP-WCQYABFASA-N 2 1 237.347 1.227 20 0 BDADMP C1C[C@H]2[NH2+]CC[C@@]2([NH2+][C@H]2CCCOC2)C1 ZINC001574816281 992917342 /nfs/dbraw/zinc/91/73/42/992917342.db2.gz BUYMWPMCVLUVGI-TUAOUCFPSA-N 2 1 210.321 1.040 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001262576204 992930394 /nfs/dbraw/zinc/93/03/94/992930394.db2.gz JVJCZMPYKZCVCQ-AXFHLTTASA-N 2 1 214.353 1.076 20 0 BDADMP C=Cn1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC001574962266 992948045 /nfs/dbraw/zinc/94/80/45/992948045.db2.gz IIYDQQZEJBMDOO-DGCLKSJQSA-N 2 1 234.347 1.400 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC001575317755 993011521 /nfs/dbraw/zinc/01/15/21/993011521.db2.gz IZZRFYNWCXSANC-SFYZADRCSA-N 2 1 240.269 1.423 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001575422873 993040767 /nfs/dbraw/zinc/04/07/67/993040767.db2.gz NSWVZKFVWTVERJ-YIYPIFLZSA-N 3 1 239.407 1.147 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001575422873 993040768 /nfs/dbraw/zinc/04/07/68/993040768.db2.gz NSWVZKFVWTVERJ-YIYPIFLZSA-N 2 1 239.407 1.147 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001575422873 993040773 /nfs/dbraw/zinc/04/07/73/993040773.db2.gz NSWVZKFVWTVERJ-YIYPIFLZSA-N 2 1 239.407 1.147 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cnc2cnccn12 ZINC001575418843 993041908 /nfs/dbraw/zinc/04/19/08/993041908.db2.gz YQIKUTRZXPYMCQ-CYBMUJFWSA-N 2 1 247.346 1.192 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575689578 993096879 /nfs/dbraw/zinc/09/68/79/993096879.db2.gz RLJPEBRGQHUCPZ-IGJPJIBNSA-N 3 1 225.380 1.185 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575689578 993096881 /nfs/dbraw/zinc/09/68/81/993096881.db2.gz RLJPEBRGQHUCPZ-IGJPJIBNSA-N 3 1 225.380 1.185 20 0 BDADMP CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575738220 993100860 /nfs/dbraw/zinc/10/08/60/993100860.db2.gz SEJKQRKQTRYIIU-GRYCIOLGSA-N 2 1 242.363 1.386 20 0 BDADMP C[C@H](CNC[C@@H]([NH3+])CC(F)F)[N@@H+](C)C1CC1 ZINC001576032343 993162803 /nfs/dbraw/zinc/16/28/03/993162803.db2.gz CHZQFMOGLKKPPG-BDAKNGLRSA-N 2 1 235.322 1.041 20 0 BDADMP C[C@@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Cn1ccnc1 ZINC001576032532 993162876 /nfs/dbraw/zinc/16/28/76/993162876.db2.gz GPTNRERZTUNFGT-VHSXEESVSA-N 2 1 246.305 1.091 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001576065707 993171579 /nfs/dbraw/zinc/17/15/79/993171579.db2.gz HGSMYUPQBCBTNU-YUTCNCBUSA-N 2 1 246.358 1.282 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001576155722 993195250 /nfs/dbraw/zinc/19/52/50/993195250.db2.gz BRGHRLKSFTWQRP-WCFLWFBJSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001576155722 993195257 /nfs/dbraw/zinc/19/52/57/993195257.db2.gz BRGHRLKSFTWQRP-WCFLWFBJSA-N 2 1 226.364 1.207 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC000378665151 993198488 /nfs/dbraw/zinc/19/84/88/993198488.db2.gz FPNRRQKTWLYURO-FRRDWIJNSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@](O)(C[NH3+])C[N@@H+](CCC1CC1)CC1CC1 ZINC001576259486 993239199 /nfs/dbraw/zinc/23/91/99/993239199.db2.gz PXLJTWVUJAWAOT-CYBMUJFWSA-N 2 1 226.364 1.208 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001576315795 993255785 /nfs/dbraw/zinc/25/57/85/993255785.db2.gz LSSWQKKPZCHFQR-TUAOUCFPSA-N 2 1 232.331 1.079 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001576315795 993255796 /nfs/dbraw/zinc/25/57/96/993255796.db2.gz LSSWQKKPZCHFQR-TUAOUCFPSA-N 2 1 232.331 1.079 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H](C[NH3+])C2)CCCCO1 ZINC001576504001 993325688 /nfs/dbraw/zinc/32/56/88/993325688.db2.gz ZYJIZVINHGJVNC-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC001576572307 993348969 /nfs/dbraw/zinc/34/89/69/993348969.db2.gz KOCRCHYSYNXENY-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@]1(O)CCC[NH2+]C1 ZINC001576589505 993358882 /nfs/dbraw/zinc/35/88/82/993358882.db2.gz QJBNKDTYSZBBGZ-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN[C@H](C[NH3+])C2CC2)C1 ZINC001576590904 993360704 /nfs/dbraw/zinc/36/07/04/993360704.db2.gz DGSFHWAORBPTMC-MBNYWOFBSA-N 2 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@H](C[NH3+])C2CC2)CCO1 ZINC001576597630 993360731 /nfs/dbraw/zinc/36/07/31/993360731.db2.gz HEDYDAZMTRKWAK-JFGNBEQYSA-N 2 1 212.337 1.128 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2CC[NH2+]CC2)CCO1 ZINC001576597093 993360955 /nfs/dbraw/zinc/36/09/55/993360955.db2.gz DIOLORHEFLMEAE-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](CCN[C@@H](C[NH3+])C2CC2)C1 ZINC001576590906 993361750 /nfs/dbraw/zinc/36/17/50/993361750.db2.gz DGSFHWAORBPTMC-SCRDCRAPSA-N 2 1 239.407 1.291 20 0 BDADMP C[C@H]1C[C@@H](N[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1C ZINC001576622184 993372909 /nfs/dbraw/zinc/37/29/09/993372909.db2.gz AVFAORAMTVDTIH-FQUUOJAGSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]CC1=NOCC1 ZINC001576690582 993396597 /nfs/dbraw/zinc/39/65/97/993396597.db2.gz KZGIUEBITUAXOG-ZYHUDNBSSA-N 2 1 225.336 1.260 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729688 993407771 /nfs/dbraw/zinc/40/77/71/993407771.db2.gz WCTPPPJWXGEMAD-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC001576729686 993408398 /nfs/dbraw/zinc/40/83/98/993408398.db2.gz VZVYCZBQXICMQA-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC001576729709 993410028 /nfs/dbraw/zinc/41/00/28/993410028.db2.gz WOOFAFUXVZMJER-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCCCO2)CC[C@H]1[NH3+] ZINC001576801701 993428654 /nfs/dbraw/zinc/42/86/54/993428654.db2.gz UCVJAIKDISDKTQ-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@](C)(C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])OC ZINC001576949753 993465166 /nfs/dbraw/zinc/46/51/66/993465166.db2.gz OGGGATOJYDNUFI-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])OC ZINC001576949753 993465167 /nfs/dbraw/zinc/46/51/67/993465167.db2.gz OGGGATOJYDNUFI-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC001576959822 993466726 /nfs/dbraw/zinc/46/67/26/993466726.db2.gz ICZVCFXLNXUKLC-YFKTTZPYSA-N 2 1 214.353 1.124 20 0 BDADMP CC[C@@H](C)[C@H](C[N@H+](C)C1(C[NH3+])CCC1)OC ZINC001576960366 993467955 /nfs/dbraw/zinc/46/79/55/993467955.db2.gz DSABLPTUQOXCSN-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@@H](C)[C@H](C[N@@H+](C)C1(C[NH3+])CCC1)OC ZINC001576960366 993467959 /nfs/dbraw/zinc/46/79/59/993467959.db2.gz DSABLPTUQOXCSN-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](CC1CC1)C(C)C ZINC000383810986 993520855 /nfs/dbraw/zinc/52/08/55/993520855.db2.gz VKAGTFJJICCJIL-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(C)C[NH2+]CCO1)C1CC1 ZINC001577175842 993530921 /nfs/dbraw/zinc/53/09/21/993530921.db2.gz JRUKRYAAGNIKEF-NWDGAFQWSA-N 2 1 212.337 1.143 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC000384000675 993536299 /nfs/dbraw/zinc/53/62/99/993536299.db2.gz OLLAPCJVVJXYOE-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577221177 993551976 /nfs/dbraw/zinc/55/19/76/993551976.db2.gz YJWNPDNRQOXRKW-RDBSUJKOSA-N 2 1 240.391 1.326 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnn(C(C)C)c1 ZINC000384936045 993637670 /nfs/dbraw/zinc/63/76/70/993637670.db2.gz BJWAFTKRJGSOCG-UHFFFAOYSA-N 2 1 247.346 1.759 20 0 BDADMP CCCC[N@@H+](CCCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC001577455163 993669096 /nfs/dbraw/zinc/66/90/96/993669096.db2.gz WOOIDMBXACSQRZ-OLZOCXBDSA-N 2 1 228.380 1.326 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](CC)[NH2+]C ZINC001577510173 993675687 /nfs/dbraw/zinc/67/56/87/993675687.db2.gz DULJRNRMPFNWCF-NWDGAFQWSA-N 2 1 243.395 1.221 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC23CCOCC3)CC1 ZINC000387074528 993698385 /nfs/dbraw/zinc/69/83/85/993698385.db2.gz XQYARWSCRAWIKZ-GFCCVEGCSA-N 2 1 224.348 1.239 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(C[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC001577654717 993710076 /nfs/dbraw/zinc/71/00/76/993710076.db2.gz GUIVDPCXFVXWEO-WDEREUQCSA-N 2 1 247.333 1.010 20 0 BDADMP COCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000389303496 993744541 /nfs/dbraw/zinc/74/45/41/993744541.db2.gz MWMBSYLONPAIIP-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP CC[N@H+]1CC[C@@H](n2c(C)nc3c2C[NH2+]CC3)C1 ZINC000389617524 993753780 /nfs/dbraw/zinc/75/37/80/993753780.db2.gz ZTLCEOOGGLRTPA-LLVKDONJSA-N 2 1 234.347 1.104 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H]2C2CC2)CC1 ZINC000390005696 993771619 /nfs/dbraw/zinc/77/16/19/993771619.db2.gz WLHSLBGUEDCEQV-YNEHKIRRSA-N 2 1 208.349 1.859 20 0 BDADMP CCOC1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC000701145223 993872249 /nfs/dbraw/zinc/87/22/49/993872249.db2.gz YIZKUVKPTPSPSG-CPCZMJQVSA-N 2 1 226.364 1.757 20 0 BDADMP CCOC1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC000701145223 993872254 /nfs/dbraw/zinc/87/22/54/993872254.db2.gz YIZKUVKPTPSPSG-CPCZMJQVSA-N 2 1 226.364 1.757 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000701664638 993897417 /nfs/dbraw/zinc/89/74/17/993897417.db2.gz YNBWZKAGXFNCSI-CYBMUJFWSA-N 2 1 226.364 1.485 20 0 BDADMP CCOC(C)(C)C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000702662601 994030402 /nfs/dbraw/zinc/03/04/02/994030402.db2.gz AHRBWLFWEHAYNV-LLVKDONJSA-N 2 1 200.326 1.225 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000702662601 994030413 /nfs/dbraw/zinc/03/04/13/994030413.db2.gz AHRBWLFWEHAYNV-LLVKDONJSA-N 2 1 200.326 1.225 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cncnc2)C1 ZINC000394086771 994038035 /nfs/dbraw/zinc/03/80/35/994038035.db2.gz UZQODFODTMPYHD-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cncnc2)C1 ZINC000394086771 994038040 /nfs/dbraw/zinc/03/80/40/994038040.db2.gz UZQODFODTMPYHD-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)([NH3+])C2)C[C@H](C)O1 ZINC000724384097 994064726 /nfs/dbraw/zinc/06/47/26/994064726.db2.gz LZWGATGDWGEILR-YVECIDJPSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000724376632 994066745 /nfs/dbraw/zinc/06/67/45/994066745.db2.gz SIJRCKWWYQRYOQ-WRWGMCAJSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000724376632 994066756 /nfs/dbraw/zinc/06/67/56/994066756.db2.gz SIJRCKWWYQRYOQ-WRWGMCAJSA-N 2 1 212.337 1.223 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001336738980 995091840 /nfs/dbraw/zinc/09/18/40/995091840.db2.gz KGHIFOTVPHCSAQ-TZMCWYRMSA-N 2 1 249.358 1.046 20 0 BDADMP Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000257658368 349470154 /nfs/dbraw/zinc/47/01/54/349470154.db2.gz RSFLPMGJTNTHNM-QWRGUYRKSA-N 2 1 220.320 1.633 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128102651 168327990 /nfs/dbraw/zinc/32/79/90/168327990.db2.gz SYNXIPMXSDPGEW-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCOCC1 ZINC000062911281 349496053 /nfs/dbraw/zinc/49/60/53/349496053.db2.gz ZZILMEWCPCWUTH-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378717618 346815324 /nfs/dbraw/zinc/81/53/24/346815324.db2.gz ARVHBDMTCHVDJX-FIQHERPVSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378717618 346815328 /nfs/dbraw/zinc/81/53/28/346815328.db2.gz ARVHBDMTCHVDJX-FIQHERPVSA-N 2 1 214.328 1.807 20 0 BDADMP FC1(F)C[C@]12CC[N@@H+](CCn1ccnc1)C2 ZINC000649907506 398181000 /nfs/dbraw/zinc/18/10/00/398181000.db2.gz UAQWNWKNUMJGOJ-JTQLQIEISA-N 2 1 227.258 1.614 20 0 BDADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423233132 398165260 /nfs/dbraw/zinc/16/52/60/398165260.db2.gz JCUKAFPTIVPPHC-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334260151 398194469 /nfs/dbraw/zinc/19/44/69/398194469.db2.gz RKCLILJIDLWLMO-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334260151 398194470 /nfs/dbraw/zinc/19/44/70/398194470.db2.gz RKCLILJIDLWLMO-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000649391776 398195323 /nfs/dbraw/zinc/19/53/23/398195323.db2.gz ISBQUJRTLIBKIT-ZDUSSCGKSA-N 2 1 239.363 1.674 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000649391776 398195328 /nfs/dbraw/zinc/19/53/28/398195328.db2.gz ISBQUJRTLIBKIT-ZDUSSCGKSA-N 2 1 239.363 1.674 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000576390504 365582607 /nfs/dbraw/zinc/58/26/07/365582607.db2.gz OCTJSUADQIYGGK-JOCQHMNTSA-N 2 1 249.358 1.541 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000386700752 398217427 /nfs/dbraw/zinc/21/74/27/398217427.db2.gz QIQOILHSNHJIDY-WCFLWFBJSA-N 2 1 247.342 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000386700752 398217431 /nfs/dbraw/zinc/21/74/31/398217431.db2.gz QIQOILHSNHJIDY-WCFLWFBJSA-N 2 1 247.342 1.259 20 0 BDADMP Cc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000050163686 178185472 /nfs/dbraw/zinc/18/54/72/178185472.db2.gz FGRIOCNSTJADHP-ZYHUDNBSSA-N 2 1 234.347 1.893 20 0 BDADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000034122475 349520613 /nfs/dbraw/zinc/52/06/13/349520613.db2.gz BNRNKZZNINUCEE-QWHCGFSZSA-N 2 1 220.316 1.235 20 0 BDADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000034122475 349520616 /nfs/dbraw/zinc/52/06/16/349520616.db2.gz BNRNKZZNINUCEE-QWHCGFSZSA-N 2 1 220.316 1.235 20 0 BDADMP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430762608 398230810 /nfs/dbraw/zinc/23/08/10/398230810.db2.gz OPKPKMPFNRUYFU-SRVKXCTJSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000167425928 538941825 /nfs/dbraw/zinc/94/18/25/538941825.db2.gz YFMPHPQYRMLXTO-ZYHUDNBSSA-N 2 1 214.353 1.077 20 0 BDADMP C([NH2+][C@H]1CCCSC1)[C@H]1CCC[NH2+]1 ZINC000232464421 136229161 /nfs/dbraw/zinc/22/91/61/136229161.db2.gz LKSKMYVAVWXHIZ-ZJUUUORDSA-N 2 1 200.351 1.224 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000286246234 538944060 /nfs/dbraw/zinc/94/40/60/538944060.db2.gz UFDHRQYIENCKMK-JTQLQIEISA-N 2 1 233.319 1.656 20 0 BDADMP Cc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)nc(C)[nH+]1 ZINC000083119096 349563378 /nfs/dbraw/zinc/56/33/78/349563378.db2.gz GGFWUYNKYAJUTC-ZJUUUORDSA-N 2 1 220.320 1.280 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000188804515 346842039 /nfs/dbraw/zinc/84/20/39/346842039.db2.gz AXFBREMBSZDACD-NEPJUHHUSA-N 2 1 212.337 1.238 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180155371 538957639 /nfs/dbraw/zinc/95/76/39/538957639.db2.gz KWZYMDKSFGCKAN-JQWIXIFHSA-N 2 1 236.363 1.711 20 0 BDADMP COC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166569444 361852949 /nfs/dbraw/zinc/85/29/49/361852949.db2.gz AAPKPKCEPJIIRX-NSHDSACASA-N 2 1 202.342 1.341 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000166661109 361855093 /nfs/dbraw/zinc/85/50/93/361855093.db2.gz FZXJKIZNJWTHPY-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000335609804 136236838 /nfs/dbraw/zinc/23/68/38/136236838.db2.gz IGMWHTDZABWIDP-WPRPVWTQSA-N 2 1 218.291 1.619 20 0 BDADMP C[N@@H+](CCOc1ccccc1)C1CC[NH2+]CC1 ZINC000036300540 342809030 /nfs/dbraw/zinc/80/90/30/342809030.db2.gz RLCJQPWMLSDSIP-UHFFFAOYSA-N 2 1 234.343 1.749 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040671742 538972464 /nfs/dbraw/zinc/97/24/64/538972464.db2.gz NBVYJSLSTLTTKY-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671742 538972465 /nfs/dbraw/zinc/97/24/65/538972465.db2.gz NBVYJSLSTLTTKY-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000381130235 538994964 /nfs/dbraw/zinc/99/49/64/538994964.db2.gz KMGLSHQXLUEPMS-NXEZZACHSA-N 2 1 224.352 1.709 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000625166750 342898994 /nfs/dbraw/zinc/89/89/94/342898994.db2.gz LHXUCVRXDONLTH-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000035112452 342883769 /nfs/dbraw/zinc/88/37/69/342883769.db2.gz QNJUEVAGBKZTBA-CYBMUJFWSA-N 2 1 248.370 1.621 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccnc1 ZINC000401701943 342908612 /nfs/dbraw/zinc/90/86/12/342908612.db2.gz AJQJIRSXEZHWQY-UHFFFAOYSA-N 2 1 216.288 1.147 20 0 BDADMP C=Cn1cc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000401722018 342919078 /nfs/dbraw/zinc/91/90/78/342919078.db2.gz BNGLDUSDTPPVFS-UHFFFAOYSA-N 2 1 231.303 1.049 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351618783 136247997 /nfs/dbraw/zinc/24/79/97/136247997.db2.gz IMOIWONXUXTRHM-XBFCOCLRSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351618783 136247998 /nfs/dbraw/zinc/24/79/98/136247998.db2.gz IMOIWONXUXTRHM-XBFCOCLRSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351618783 136247999 /nfs/dbraw/zinc/24/79/99/136247999.db2.gz IMOIWONXUXTRHM-XBFCOCLRSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351618783 136248000 /nfs/dbraw/zinc/24/80/00/136248000.db2.gz IMOIWONXUXTRHM-XBFCOCLRSA-N 2 1 240.391 1.562 20 0 BDADMP CCCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000037482575 398328400 /nfs/dbraw/zinc/32/84/00/398328400.db2.gz ULTOGPVAKAOFTD-UHFFFAOYSA-N 2 1 213.369 1.014 20 0 BDADMP Cc1cc(NCCC[NH2+]C2CC2)nc(C)[nH+]1 ZINC000037756876 398334251 /nfs/dbraw/zinc/33/42/51/398334251.db2.gz VCATXQKLAVKHHZ-UHFFFAOYSA-N 2 1 220.320 1.647 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000335424775 398341393 /nfs/dbraw/zinc/34/13/93/398341393.db2.gz IMZBHIPUXYWQGA-JQWIXIFHSA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000300360083 398343785 /nfs/dbraw/zinc/34/37/85/398343785.db2.gz SWPBKKKDAUYUAN-CHWSQXEVSA-N 2 1 228.380 1.874 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCC2)CCCO1 ZINC000313391362 259334280 /nfs/dbraw/zinc/33/42/80/259334280.db2.gz UVJWEAOTHRPQDN-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000309805199 342954569 /nfs/dbraw/zinc/95/45/69/342954569.db2.gz RZALYVBQYPKAIV-TUAOUCFPSA-N 2 1 208.349 1.846 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351816795 136255367 /nfs/dbraw/zinc/25/53/67/136255367.db2.gz SNTGQPADZXJHCM-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351816795 136255368 /nfs/dbraw/zinc/25/53/68/136255368.db2.gz SNTGQPADZXJHCM-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000602719993 349712509 /nfs/dbraw/zinc/71/25/09/349712509.db2.gz VPZIVCVTHGFNGK-WYUUTHIRSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000602719993 349712512 /nfs/dbraw/zinc/71/25/12/349712512.db2.gz VPZIVCVTHGFNGK-WYUUTHIRSA-N 2 1 240.347 1.010 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCC(F)F ZINC000235291187 343000789 /nfs/dbraw/zinc/00/07/89/343000789.db2.gz HHJNQGAMNGGOTF-RKDXNWHRSA-N 2 1 222.279 1.080 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOCC(F)F ZINC000235291187 343000791 /nfs/dbraw/zinc/00/07/91/343000791.db2.gz HHJNQGAMNGGOTF-RKDXNWHRSA-N 2 1 222.279 1.080 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H](C)COC ZINC000562744806 323029763 /nfs/dbraw/zinc/02/97/63/323029763.db2.gz XJOIVBXDSWNWAD-GHMZBOCLSA-N 2 1 202.342 1.376 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(Cl)cnn1C ZINC000576823412 365694187 /nfs/dbraw/zinc/69/41/87/365694187.db2.gz RAZWEJXNZROOPX-HTQZYQBOSA-N 2 1 230.743 1.289 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCC(F)F ZINC000235580245 343048330 /nfs/dbraw/zinc/04/83/30/343048330.db2.gz HHJNQGAMNGGOTF-DTWKUNHWSA-N 2 1 222.279 1.080 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOCC(F)F ZINC000235580245 343048331 /nfs/dbraw/zinc/04/83/31/343048331.db2.gz HHJNQGAMNGGOTF-DTWKUNHWSA-N 2 1 222.279 1.080 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1COCC1(C)C ZINC000313984571 259345503 /nfs/dbraw/zinc/34/55/03/259345503.db2.gz MTZWYLMNWQKCRV-GFCCVEGCSA-N 2 1 237.347 1.367 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000576838966 365702577 /nfs/dbraw/zinc/70/25/77/365702577.db2.gz XEQAKTCJDFIHGE-IHRRRGAJSA-N 2 1 241.423 1.966 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000383532139 362030927 /nfs/dbraw/zinc/03/09/27/362030927.db2.gz RGVKYRWUXGGQIG-QWRGUYRKSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000383532139 362030932 /nfs/dbraw/zinc/03/09/32/362030932.db2.gz RGVKYRWUXGGQIG-QWRGUYRKSA-N 2 1 235.331 1.259 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@@H]([NH3+])CCC(C)C)n1 ZINC000634557136 362047862 /nfs/dbraw/zinc/04/78/62/362047862.db2.gz OBPUDYUTAFUCBK-UWVGGRQHSA-N 2 1 240.351 1.656 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000562956237 323034928 /nfs/dbraw/zinc/03/49/28/323034928.db2.gz KRWXDGVYENDZEO-FRRDWIJNSA-N 3 1 227.396 1.304 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000131516106 343183970 /nfs/dbraw/zinc/18/39/70/343183970.db2.gz HUFLUVPXIPNYGN-SMDDNHRTSA-N 2 1 246.354 1.933 20 0 BDADMP CCCN1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000094009634 343151939 /nfs/dbraw/zinc/15/19/39/343151939.db2.gz MZSDGDRZWMHFBJ-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1CCC1 ZINC000379926021 365737246 /nfs/dbraw/zinc/73/72/46/365737246.db2.gz UEXDOBVQASXGDW-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CCC1 ZINC000379926021 365737248 /nfs/dbraw/zinc/73/72/48/365737248.db2.gz UEXDOBVQASXGDW-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1CCC1 ZINC000379926021 365737251 /nfs/dbraw/zinc/73/72/51/365737251.db2.gz UEXDOBVQASXGDW-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CCC1 ZINC000379926021 365737253 /nfs/dbraw/zinc/73/72/53/365737253.db2.gz UEXDOBVQASXGDW-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311221395 136275857 /nfs/dbraw/zinc/27/58/57/136275857.db2.gz PICULFARGMMRNN-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@@H]2[C@H](C)CC[NH2+][C@H]2C)O1 ZINC000634687971 343245953 /nfs/dbraw/zinc/24/59/53/343245953.db2.gz DYANPEMMQNLHTO-UJPOAAIJSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)O1 ZINC000634687971 343245954 /nfs/dbraw/zinc/24/59/54/343245954.db2.gz DYANPEMMQNLHTO-UJPOAAIJSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)O1 ZINC000634688441 343246889 /nfs/dbraw/zinc/24/68/89/343246889.db2.gz SRJYRUJZUFAPTN-NEPJUHHUSA-N 2 1 224.348 1.382 20 0 BDADMP Cn1nccc1CC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000634688658 343248578 /nfs/dbraw/zinc/24/85/78/343248578.db2.gz ZVWJPAIKFUEBJW-GFCCVEGCSA-N 2 1 236.363 1.166 20 0 BDADMP Cn1nccc1CC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000634688658 343248581 /nfs/dbraw/zinc/24/85/81/343248581.db2.gz ZVWJPAIKFUEBJW-GFCCVEGCSA-N 2 1 236.363 1.166 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1c[nH]nc1C ZINC000036901515 343327254 /nfs/dbraw/zinc/32/72/54/343327254.db2.gz RDJWOYUMRHZTDY-UHFFFAOYSA-N 2 1 224.352 1.540 20 0 BDADMP Cc1nccn1CCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000348756351 136297312 /nfs/dbraw/zinc/29/73/12/136297312.db2.gz NUTQFUZYJFZTFQ-AAEUAGOBSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000348756351 136297313 /nfs/dbraw/zinc/29/73/13/136297313.db2.gz NUTQFUZYJFZTFQ-AAEUAGOBSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000348756351 136297314 /nfs/dbraw/zinc/29/73/14/136297314.db2.gz NUTQFUZYJFZTFQ-AAEUAGOBSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[NH2+][C@H](C)[C@@H]1C ZINC000348755676 136297333 /nfs/dbraw/zinc/29/73/33/136297333.db2.gz ILQJQDDWBBUYAJ-NEPJUHHUSA-N 2 1 236.363 1.264 20 0 BDADMP Cn1ccnc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635223 136300682 /nfs/dbraw/zinc/30/06/82/136300682.db2.gz SBROSVGWARVCTJ-CHWSQXEVSA-N 2 1 248.374 1.242 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335637931 136302971 /nfs/dbraw/zinc/30/29/71/136302971.db2.gz YSSXQUBMHDQEQO-STQMWFEESA-N 2 1 248.374 1.242 20 0 BDADMP C(C1CC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335638035 136303185 /nfs/dbraw/zinc/30/31/85/136303185.db2.gz ZWWIKHWDARFXKY-OLZOCXBDSA-N 2 1 208.349 1.718 20 0 BDADMP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335651606 136305237 /nfs/dbraw/zinc/30/52/37/136305237.db2.gz XUOFBYDYPSVHPY-CHWSQXEVSA-N 2 1 216.328 1.668 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000569918902 323044209 /nfs/dbraw/zinc/04/42/09/323044209.db2.gz VOSIGWKREYTUMV-MGPQQGTHSA-N 2 1 241.423 1.693 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000569918902 323044210 /nfs/dbraw/zinc/04/42/10/323044210.db2.gz VOSIGWKREYTUMV-MGPQQGTHSA-N 3 1 241.423 1.693 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000569918902 323044211 /nfs/dbraw/zinc/04/42/11/323044211.db2.gz VOSIGWKREYTUMV-MGPQQGTHSA-N 3 1 241.423 1.693 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166215979 136309338 /nfs/dbraw/zinc/30/93/38/136309338.db2.gz FSUJYXLUYMHCNL-GXTWGEPZSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000166230095 136314863 /nfs/dbraw/zinc/31/48/63/136314863.db2.gz AXZIYVHNZSKATD-QWRGUYRKSA-N 2 1 222.307 1.995 20 0 BDADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000177724139 346936904 /nfs/dbraw/zinc/93/69/04/346936904.db2.gz DSMXJLQHLNQTBG-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000177724139 346936908 /nfs/dbraw/zinc/93/69/08/346936908.db2.gz DSMXJLQHLNQTBG-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP Cc1cc[nH+]c(N2CCC([NH+](C)C)CC2)c1 ZINC000335733076 136349436 /nfs/dbraw/zinc/34/94/36/136349436.db2.gz VNNUFBKECPBKBN-UHFFFAOYSA-N 2 1 219.332 1.920 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400419620 529711870 /nfs/dbraw/zinc/71/18/70/529711870.db2.gz WKPXFHTVEWVPRO-BJDJZHNGSA-N 2 1 214.353 1.266 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000166917517 136366988 /nfs/dbraw/zinc/36/69/88/136366988.db2.gz MBVIMNSXNKLOCU-RNJOBUHISA-N 2 1 210.365 1.962 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@H]1C1CC1 ZINC000570060696 323049063 /nfs/dbraw/zinc/04/90/63/323049063.db2.gz OHIXZIUWJZLTHL-QWHCGFSZSA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@H]1C1CC1 ZINC000570060696 323049064 /nfs/dbraw/zinc/04/90/64/323049064.db2.gz OHIXZIUWJZLTHL-QWHCGFSZSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000570060696 323049065 /nfs/dbraw/zinc/04/90/65/323049065.db2.gz OHIXZIUWJZLTHL-QWHCGFSZSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000570060696 323049066 /nfs/dbraw/zinc/04/90/66/323049066.db2.gz OHIXZIUWJZLTHL-QWHCGFSZSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000192560449 365755992 /nfs/dbraw/zinc/75/59/92/365755992.db2.gz ZPGBZRCKPWKFRT-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]Cc2cc[nH]n2)cc1 ZINC000580564239 365781682 /nfs/dbraw/zinc/78/16/82/365781682.db2.gz PDVNREWPHLNXEB-UHFFFAOYSA-N 2 1 216.288 1.158 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(C)s1 ZINC000086070560 343610675 /nfs/dbraw/zinc/61/06/75/343610675.db2.gz ZKNFWZQIQKTUTQ-MRVPVSSYSA-N 2 1 213.350 1.397 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000087393681 343647345 /nfs/dbraw/zinc/64/73/45/343647345.db2.gz PCXJMFWRUQRUAW-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP C[C@H]([NH2+]CC1(O)CCC1)C1=CC[N@@H+](C)CC1 ZINC000577056847 365796646 /nfs/dbraw/zinc/79/66/46/365796646.db2.gz XTGWWIVUPXUYBS-NSHDSACASA-N 2 1 224.348 1.141 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000576187632 343722413 /nfs/dbraw/zinc/72/24/13/343722413.db2.gz AARRYUZOEBRRAL-UONOGXRCSA-N 2 1 238.375 1.628 20 0 BDADMP COC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000576409464 343748986 /nfs/dbraw/zinc/74/89/86/343748986.db2.gz UMTPLAABYMCBKT-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP COC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576409464 343748990 /nfs/dbraw/zinc/74/89/90/343748990.db2.gz UMTPLAABYMCBKT-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP COC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576409464 343748992 /nfs/dbraw/zinc/74/89/92/343748992.db2.gz UMTPLAABYMCBKT-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP COC(C)(C)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000576409464 343748994 /nfs/dbraw/zinc/74/89/94/343748994.db2.gz UMTPLAABYMCBKT-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP COC(C)(C)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000576409464 343748998 /nfs/dbraw/zinc/74/89/98/343748998.db2.gz UMTPLAABYMCBKT-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC(C)(C)C ZINC000381039861 343868306 /nfs/dbraw/zinc/86/83/06/343868306.db2.gz FWCVOEOBLMPOIG-LBPRGKRZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC(C)(C)C ZINC000381039861 343868307 /nfs/dbraw/zinc/86/83/07/343868307.db2.gz FWCVOEOBLMPOIG-LBPRGKRZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CC(C)(C)C ZINC000381039861 343868308 /nfs/dbraw/zinc/86/83/08/343868308.db2.gz FWCVOEOBLMPOIG-LBPRGKRZSA-N 2 1 230.396 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CC(C)(C)C ZINC000381039861 343868309 /nfs/dbraw/zinc/86/83/09/343868309.db2.gz FWCVOEOBLMPOIG-LBPRGKRZSA-N 2 1 230.396 1.667 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccn1 ZINC000621775027 343898486 /nfs/dbraw/zinc/89/84/86/343898486.db2.gz CZTQMMSNYRZOSE-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP COc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)cn1 ZINC000621775533 343900153 /nfs/dbraw/zinc/90/01/53/343900153.db2.gz QZJFUPDWAWXGGR-CYBMUJFWSA-N 2 1 237.347 1.553 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000069626368 343940858 /nfs/dbraw/zinc/94/08/58/343940858.db2.gz USLRSYUIMLQUQH-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCC1 ZINC000221391688 259372989 /nfs/dbraw/zinc/37/29/89/259372989.db2.gz UCKFNPAOTOGWAK-GJZGRUSLSA-N 2 1 248.370 1.402 20 0 BDADMP C[NH+]1CCC(N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732400 344108304 /nfs/dbraw/zinc/10/83/04/344108304.db2.gz FTHSVJMCBCBFOU-CYBMUJFWSA-N 2 1 239.407 1.448 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000634733768 344113903 /nfs/dbraw/zinc/11/39/03/344113903.db2.gz NIPOSKNKZUIKFE-STQMWFEESA-N 2 1 239.407 1.496 20 0 BDADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC000634734140 344114638 /nfs/dbraw/zinc/11/46/38/344114638.db2.gz XXOKYEHPVJMEEP-TZMCWYRMSA-N 3 1 239.407 1.354 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789791 344209442 /nfs/dbraw/zinc/20/94/42/344209442.db2.gz JWXORPAGYHJDLJ-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789791 344209445 /nfs/dbraw/zinc/20/94/45/344209445.db2.gz JWXORPAGYHJDLJ-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000086402315 344216735 /nfs/dbraw/zinc/21/67/35/344216735.db2.gz GEUWIUCEQLKVGE-STQMWFEESA-N 3 1 225.380 1.332 20 0 BDADMP COCCCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000131058218 344226898 /nfs/dbraw/zinc/22/68/98/344226898.db2.gz DXFLODLBLCXZCW-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000131703395 344233720 /nfs/dbraw/zinc/23/37/20/344233720.db2.gz VFFKTHNROYIOEN-YPMHNXCESA-N 2 1 249.358 1.520 20 0 BDADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000131703395 344233721 /nfs/dbraw/zinc/23/37/21/344233721.db2.gz VFFKTHNROYIOEN-YPMHNXCESA-N 2 1 249.358 1.520 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328453348 344298491 /nfs/dbraw/zinc/29/84/91/344298491.db2.gz DQZDSIFVFSQFJH-LOWDOPEQSA-N 2 1 226.364 1.207 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779968 344316029 /nfs/dbraw/zinc/31/60/29/344316029.db2.gz NHIJXJSQLUBXDD-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779968 344316032 /nfs/dbraw/zinc/31/60/32/344316032.db2.gz NHIJXJSQLUBXDD-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779968 344316034 /nfs/dbraw/zinc/31/60/34/344316034.db2.gz NHIJXJSQLUBXDD-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP COC[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133310561 344317745 /nfs/dbraw/zinc/31/77/45/344317745.db2.gz UEANTOOXDPLGQA-WDEREUQCSA-N 2 1 202.342 1.327 20 0 BDADMP COC(=O)CCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000600704767 344360184 /nfs/dbraw/zinc/36/01/84/344360184.db2.gz PXGBBLDYRWGXNS-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP COC(=O)CCCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000600707063 344360286 /nfs/dbraw/zinc/36/02/86/344360286.db2.gz XGPJKMLQHYBUQA-LBPRGKRZSA-N 2 1 244.379 1.635 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000600710422 344360920 /nfs/dbraw/zinc/36/09/20/344360920.db2.gz OLEDECXTKGCLDI-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000132472628 344301020 /nfs/dbraw/zinc/30/10/20/344301020.db2.gz KEBADUWQWXQQKJ-ZJUUUORDSA-N 2 1 202.367 1.422 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600775385 344370959 /nfs/dbraw/zinc/37/09/59/344370959.db2.gz NNBKZDVJLRXERT-MNOVXSKESA-N 2 1 242.363 1.306 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccccc1 ZINC000385228162 344378964 /nfs/dbraw/zinc/37/89/64/344378964.db2.gz INWBVDREVRTZDA-DGCLKSJQSA-N 2 1 204.317 1.651 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccccc1 ZINC000385228162 344378966 /nfs/dbraw/zinc/37/89/66/344378966.db2.gz INWBVDREVRTZDA-DGCLKSJQSA-N 2 1 204.317 1.651 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000215653005 344392318 /nfs/dbraw/zinc/39/23/18/344392318.db2.gz OXQRXLJMQJTJMO-GWCFXTLKSA-N 2 1 222.307 1.881 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)(C)C ZINC000380971621 344462650 /nfs/dbraw/zinc/46/26/50/344462650.db2.gz AQRNUSYIZXOSAP-RYUDHWBXSA-N 2 1 230.396 1.665 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)(C)C ZINC000380971621 344462653 /nfs/dbraw/zinc/46/26/53/344462653.db2.gz AQRNUSYIZXOSAP-RYUDHWBXSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000380971621 344462656 /nfs/dbraw/zinc/46/26/56/344462656.db2.gz AQRNUSYIZXOSAP-RYUDHWBXSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000380971621 344462657 /nfs/dbraw/zinc/46/26/57/344462657.db2.gz AQRNUSYIZXOSAP-RYUDHWBXSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309421811 347058995 /nfs/dbraw/zinc/05/89/95/347058995.db2.gz ZUFBWMVIUIFAQB-OLZOCXBDSA-N 2 1 221.348 1.987 20 0 BDADMP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n[nH]1 ZINC000152692969 344658573 /nfs/dbraw/zinc/65/85/73/344658573.db2.gz DHSRNLKAJQUBLQ-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)[C@H]1CC1(C)C ZINC000574288785 344732592 /nfs/dbraw/zinc/73/25/92/344732592.db2.gz UDHOXMHPJQYZFP-XQQFMLRXSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000400002282 344747910 /nfs/dbraw/zinc/74/79/10/344747910.db2.gz OMLPVYFWEFNROD-OLZOCXBDSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400002282 344747911 /nfs/dbraw/zinc/74/79/11/344747911.db2.gz OMLPVYFWEFNROD-OLZOCXBDSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400002282 344747912 /nfs/dbraw/zinc/74/79/12/344747912.db2.gz OMLPVYFWEFNROD-OLZOCXBDSA-N 2 1 226.364 1.031 20 0 BDADMP Cc1cnn(C)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000352247333 344854696 /nfs/dbraw/zinc/85/46/96/344854696.db2.gz XUCYNGKJGCPIRJ-UHFFFAOYSA-N 2 1 238.379 1.406 20 0 BDADMP C[C@]1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCCS1 ZINC000628177680 344907050 /nfs/dbraw/zinc/90/70/50/344907050.db2.gz JWCQXIZFJYFAIU-YNEHKIRRSA-N 2 1 240.416 1.956 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCCS1 ZINC000628177680 344907051 /nfs/dbraw/zinc/90/70/51/344907051.db2.gz JWCQXIZFJYFAIU-YNEHKIRRSA-N 2 1 240.416 1.956 20 0 BDADMP C[NH2+]CCC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000579354906 344956125 /nfs/dbraw/zinc/95/61/25/344956125.db2.gz QXUOUDSYVCTNJL-CYBMUJFWSA-N 2 1 236.359 1.479 20 0 BDADMP CCC1CC([NH2+]CCn2cc[nH+]c2C)C1 ZINC000336746354 168510979 /nfs/dbraw/zinc/51/09/79/168510979.db2.gz BHCQKLUVQRLTAI-UHFFFAOYSA-N 2 1 207.321 1.970 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156009043 345117374 /nfs/dbraw/zinc/11/73/74/345117374.db2.gz JRWQOLWWUOKJTH-HZSPNIEDSA-N 2 1 248.374 1.488 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC000634984133 345167741 /nfs/dbraw/zinc/16/77/41/345167741.db2.gz IORKWHHKGNGQFU-NSHDSACASA-N 2 1 223.320 1.496 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000634991595 345177721 /nfs/dbraw/zinc/17/77/21/345177721.db2.gz KHRBBZXVFYFJDK-CRWXNKLISA-N 3 1 239.407 1.277 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CC[N@H+]1C ZINC000156172570 345131599 /nfs/dbraw/zinc/13/15/99/345131599.db2.gz SGWHYFWEQYNJHH-OLZOCXBDSA-N 3 1 227.396 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCN1C ZINC000156172570 345131601 /nfs/dbraw/zinc/13/16/01/345131601.db2.gz SGWHYFWEQYNJHH-OLZOCXBDSA-N 2 1 227.396 1.401 20 0 BDADMP C[C@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1ccccn1 ZINC000634996389 345187535 /nfs/dbraw/zinc/18/75/35/345187535.db2.gz IMERPDLPJZCKBR-LKSINWNRSA-N 2 1 231.343 1.527 20 0 BDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000156284133 345141401 /nfs/dbraw/zinc/14/14/01/345141401.db2.gz LHYDIUBINQPDCR-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1C ZINC000156265037 345143686 /nfs/dbraw/zinc/14/36/86/345143686.db2.gz YNPXCVUJEZCOCF-FRRDWIJNSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1C ZINC000156265037 345143689 /nfs/dbraw/zinc/14/36/89/345143689.db2.gz YNPXCVUJEZCOCF-FRRDWIJNSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1C ZINC000156265037 345143692 /nfs/dbraw/zinc/14/36/92/345143692.db2.gz YNPXCVUJEZCOCF-FRRDWIJNSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996446 345188378 /nfs/dbraw/zinc/18/83/78/345188378.db2.gz KAWQYDROTMZEGM-DCBWTQNWSA-N 2 1 231.343 1.354 20 0 BDADMP C([N@H+]1CC[C@@H]2CCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634994246 345192338 /nfs/dbraw/zinc/19/23/38/345192338.db2.gz WSXAYJPWMGFTFK-ZFQMDJOTSA-N 2 1 206.333 1.613 20 0 BDADMP C([N@@H+]1CC[C@H]2CC[C@@H](C1)S2)C12CC(C1)C[NH2+]2 ZINC000634996992 345194094 /nfs/dbraw/zinc/19/40/94/345194094.db2.gz ATOVBYGOCQDGIT-QBHFIFKDSA-N 2 1 238.400 1.708 20 0 BDADMP C([N@H+]1CC[C@H]2CC[C@@H](C1)S2)C12CC(C1)C[NH2+]2 ZINC000634996992 345194097 /nfs/dbraw/zinc/19/40/97/345194097.db2.gz ATOVBYGOCQDGIT-QBHFIFKDSA-N 2 1 238.400 1.708 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000634997240 345194836 /nfs/dbraw/zinc/19/48/36/345194836.db2.gz HCSCIENYFDUTFC-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635003634 345206493 /nfs/dbraw/zinc/20/64/93/345206493.db2.gz BCSCFDHWBMKPTE-GZBFAFLISA-N 3 1 249.402 1.662 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000635006520 345210622 /nfs/dbraw/zinc/21/06/22/345210622.db2.gz RRVRCXAQFAVIGC-ROHXPCBUSA-N 2 1 212.337 1.282 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000635009765 345212101 /nfs/dbraw/zinc/21/21/01/345212101.db2.gz ZIIBUGMLFQVTDU-AGIUHOORSA-N 2 1 239.407 1.482 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635008247 345216007 /nfs/dbraw/zinc/21/60/07/345216007.db2.gz SMXWBLQWUIFTKI-JOCQHMNTSA-N 3 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635008115 345216017 /nfs/dbraw/zinc/21/60/17/345216017.db2.gz ZNJZNKMHKXELRK-PJSNJIKXSA-N 2 1 226.364 1.673 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000158732623 345371402 /nfs/dbraw/zinc/37/14/02/345371402.db2.gz NOXGUHBDLRKRQG-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158749030 345373848 /nfs/dbraw/zinc/37/38/48/345373848.db2.gz WRYCUMFPGAYTPL-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158749030 345373849 /nfs/dbraw/zinc/37/38/49/345373849.db2.gz WRYCUMFPGAYTPL-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158749030 345373850 /nfs/dbraw/zinc/37/38/50/345373850.db2.gz WRYCUMFPGAYTPL-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000090799998 345576202 /nfs/dbraw/zinc/57/62/02/345576202.db2.gz HQKKGJKWHZXJBV-IKWCTNDRSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000090799998 345576205 /nfs/dbraw/zinc/57/62/05/345576205.db2.gz HQKKGJKWHZXJBV-IKWCTNDRSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159904475 345631053 /nfs/dbraw/zinc/63/10/53/345631053.db2.gz GJKWZWNUHFLVLG-BFHYXJOUSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000235707457 537903703 /nfs/dbraw/zinc/90/37/03/537903703.db2.gz DIROSGDUAWTKKK-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP COC1(C[NH2+]CCc2c[nH+]cn2C)CCCC1 ZINC000401666083 362610467 /nfs/dbraw/zinc/61/04/67/362610467.db2.gz HROJLDFCQXYYEJ-UHFFFAOYSA-N 2 1 237.347 1.511 20 0 BDADMP CCOCC[N@H+](C)CCn1cc[nH+]c1C ZINC000093317141 345651793 /nfs/dbraw/zinc/65/17/93/345651793.db2.gz VODXVADLWNFKOF-UHFFFAOYSA-N 2 1 211.309 1.160 20 0 BDADMP CCOCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000093317141 345651795 /nfs/dbraw/zinc/65/17/95/345651795.db2.gz VODXVADLWNFKOF-UHFFFAOYSA-N 2 1 211.309 1.160 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H](C)CF)CC1 ZINC000200321586 345728521 /nfs/dbraw/zinc/72/85/21/345728521.db2.gz HLKPQNCSYYJMIP-SNVBAGLBSA-N 2 1 202.317 1.807 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000070558212 345775726 /nfs/dbraw/zinc/77/57/26/345775726.db2.gz WWIWXLMLSHFWQS-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000070558212 345775728 /nfs/dbraw/zinc/77/57/28/345775728.db2.gz WWIWXLMLSHFWQS-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363576742 345798470 /nfs/dbraw/zinc/79/84/70/345798470.db2.gz CPUYYNNVOGNHHE-MQYQWHSLSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363576742 345798472 /nfs/dbraw/zinc/79/84/72/345798472.db2.gz CPUYYNNVOGNHHE-MQYQWHSLSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363576742 345798475 /nfs/dbraw/zinc/79/84/75/345798475.db2.gz CPUYYNNVOGNHHE-MQYQWHSLSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000181123570 345928266 /nfs/dbraw/zinc/92/82/66/345928266.db2.gz JUPHVTGDGNHSMW-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000563268857 323107213 /nfs/dbraw/zinc/10/72/13/323107213.db2.gz NCTSPJLLKYKPTC-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000381130273 537954718 /nfs/dbraw/zinc/95/47/18/537954718.db2.gz KMGLSHQXLUEPMS-VHSXEESVSA-N 2 1 224.352 1.709 20 0 BDADMP Cc1nc(C[N@@H+](C)CCCn2ccnc2)[nH]c1C ZINC000628279942 346290615 /nfs/dbraw/zinc/29/06/15/346290615.db2.gz IUIYUNHOQPOTFH-UHFFFAOYSA-N 2 1 247.346 1.745 20 0 BDADMP Cc1ncc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000628280762 346291707 /nfs/dbraw/zinc/29/17/07/346291707.db2.gz GMBGCDPPSISERP-MFKMUULPSA-N 2 1 237.347 1.755 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000641797257 362742441 /nfs/dbraw/zinc/74/24/41/362742441.db2.gz ZMKOBKFDTWVPOF-RYUDHWBXSA-N 2 1 236.363 1.022 20 0 BDADMP Cn1cncc1CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000641798180 362742472 /nfs/dbraw/zinc/74/24/72/362742472.db2.gz IJIHCVPCCAWXTK-LBPRGKRZSA-N 2 1 236.363 1.166 20 0 BDADMP Cc1cccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000228722080 179094595 /nfs/dbraw/zinc/09/45/95/179094595.db2.gz HZTXUEBPPPRRGJ-AWEZNQCLSA-N 2 1 236.359 1.397 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CCc1c[nH+]cn1C ZINC000641798143 362740194 /nfs/dbraw/zinc/74/01/94/362740194.db2.gz LJDORQCOVACUQX-CYBMUJFWSA-N 2 1 236.363 1.037 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000641799802 362750446 /nfs/dbraw/zinc/75/04/46/362750446.db2.gz ZSBKUCLCULMGHW-ONGXEEELSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000641799802 362750449 /nfs/dbraw/zinc/75/04/49/362750449.db2.gz ZSBKUCLCULMGHW-ONGXEEELSA-N 2 1 237.347 1.715 20 0 BDADMP CC[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)CC ZINC000380040216 365823626 /nfs/dbraw/zinc/82/36/26/365823626.db2.gz UDKQUNVFEYJXJJ-GFCCVEGCSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](CC(C)C)C[C@H](O)C[N@H+](C)CC ZINC000380040216 365823630 /nfs/dbraw/zinc/82/36/30/365823630.db2.gz UDKQUNVFEYJXJJ-GFCCVEGCSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CC(C)C ZINC000380040216 365823637 /nfs/dbraw/zinc/82/36/37/365823637.db2.gz UDKQUNVFEYJXJJ-GFCCVEGCSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CC(C)C ZINC000380040216 365823644 /nfs/dbraw/zinc/82/36/44/365823644.db2.gz UDKQUNVFEYJXJJ-GFCCVEGCSA-N 2 1 216.369 1.277 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000187645000 346594274 /nfs/dbraw/zinc/59/42/74/346594274.db2.gz DTUNFNWUSQIRGV-VXGBXAGGSA-N 2 1 239.363 1.700 20 0 BDADMP CC1(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000622004116 370653186 /nfs/dbraw/zinc/65/31/86/370653186.db2.gz KOBCUQOJUAOGIC-DGCLKSJQSA-N 2 1 208.349 1.990 20 0 BDADMP COCCCCC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000571104153 323135583 /nfs/dbraw/zinc/13/55/83/323135583.db2.gz LNODINVHCXOUEW-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571104153 323135584 /nfs/dbraw/zinc/13/55/84/323135584.db2.gz LNODINVHCXOUEW-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571104153 323135585 /nfs/dbraw/zinc/13/55/85/323135585.db2.gz LNODINVHCXOUEW-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000571104153 323135586 /nfs/dbraw/zinc/13/55/86/323135586.db2.gz LNODINVHCXOUEW-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000571104153 323135587 /nfs/dbraw/zinc/13/55/87/323135587.db2.gz LNODINVHCXOUEW-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000622004325 370654503 /nfs/dbraw/zinc/65/45/03/370654503.db2.gz NKUHWALLMLFBER-AGIUHOORSA-N 2 1 224.348 1.226 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000571103603 323135704 /nfs/dbraw/zinc/13/57/04/323135704.db2.gz FBJPZWLWNHAPQF-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC(C)(C)C1 ZINC000571103603 323135705 /nfs/dbraw/zinc/13/57/05/323135705.db2.gz FBJPZWLWNHAPQF-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000571103603 323135708 /nfs/dbraw/zinc/13/57/08/323135708.db2.gz FBJPZWLWNHAPQF-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP Cc1nccn1CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000580328735 347163974 /nfs/dbraw/zinc/16/39/74/347163974.db2.gz CQWBZFMRAUWLSH-CYBMUJFWSA-N 2 1 236.363 1.252 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000580328735 347163977 /nfs/dbraw/zinc/16/39/77/347163977.db2.gz CQWBZFMRAUWLSH-CYBMUJFWSA-N 3 1 236.363 1.252 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000580328735 347163980 /nfs/dbraw/zinc/16/39/80/347163980.db2.gz CQWBZFMRAUWLSH-CYBMUJFWSA-N 3 1 236.363 1.252 20 0 BDADMP Cc1ncc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)o1 ZINC000628295601 347229308 /nfs/dbraw/zinc/22/93/08/347229308.db2.gz CJYQPEUAJWTLCL-CQSZACIVSA-N 2 1 249.358 1.901 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@H]2CCC[C@H]21 ZINC000353440523 187373052 /nfs/dbraw/zinc/37/30/52/187373052.db2.gz KTYIPZNJUDBOOZ-HZSPNIEDSA-N 2 1 238.375 1.628 20 0 BDADMP CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000310120221 347234382 /nfs/dbraw/zinc/23/43/82/347234382.db2.gz DJZWWAJUVDNHDJ-TZMCWYRMSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310120221 347234385 /nfs/dbraw/zinc/23/43/85/347234385.db2.gz DJZWWAJUVDNHDJ-TZMCWYRMSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310120221 347234387 /nfs/dbraw/zinc/23/43/87/347234387.db2.gz DJZWWAJUVDNHDJ-TZMCWYRMSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310120221 347234388 /nfs/dbraw/zinc/23/43/88/347234388.db2.gz DJZWWAJUVDNHDJ-TZMCWYRMSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310120221 347234391 /nfs/dbraw/zinc/23/43/91/347234391.db2.gz DJZWWAJUVDNHDJ-TZMCWYRMSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000310203322 347246674 /nfs/dbraw/zinc/24/66/74/347246674.db2.gz CGWUOBNBIILCLB-AAVRWANBSA-N 2 1 242.407 1.713 20 0 BDADMP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000388278710 347286979 /nfs/dbraw/zinc/28/69/79/347286979.db2.gz KRQCKVCHYZUQLP-MFKMUULPSA-N 2 1 226.364 1.484 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000250389674 362803054 /nfs/dbraw/zinc/80/30/54/362803054.db2.gz XYMOCFXISOBEHS-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000679332366 488340948 /nfs/dbraw/zinc/34/09/48/488340948.db2.gz VDOLWHZWOYQZRR-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000119888965 347306330 /nfs/dbraw/zinc/30/63/30/347306330.db2.gz ZRFUEICMNGSVSF-PWSUYJOCSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000388445327 347408691 /nfs/dbraw/zinc/40/86/91/347408691.db2.gz HVNBAXAPSFVLJJ-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000382837309 347444689 /nfs/dbraw/zinc/44/46/89/347444689.db2.gz PYUYXZDUCSAYOS-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109754620 347465730 /nfs/dbraw/zinc/46/57/30/347465730.db2.gz BYXYDCPPFBAAOF-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000401700732 347604611 /nfs/dbraw/zinc/60/46/11/347604611.db2.gz OKIJDSHOZPTIQV-JTQLQIEISA-N 2 1 223.320 1.120 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCCCN1 ZINC000591275602 347637116 /nfs/dbraw/zinc/63/71/16/347637116.db2.gz IOCBUIJKGFKRDT-LLVKDONJSA-N 2 1 242.363 1.307 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275602 347637119 /nfs/dbraw/zinc/63/71/19/347637119.db2.gz IOCBUIJKGFKRDT-LLVKDONJSA-N 2 1 242.363 1.307 20 0 BDADMP COC(=O)CCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471302 347789890 /nfs/dbraw/zinc/78/98/90/347789890.db2.gz UCFXRHHSGAVSKN-UHFFFAOYSA-N 2 1 240.347 1.156 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593729075 347938041 /nfs/dbraw/zinc/93/80/41/347938041.db2.gz FFQDETIWYQRYGR-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@@]12CCOC2 ZINC000367458992 187384594 /nfs/dbraw/zinc/38/45/94/187384594.db2.gz PXEZBFYROKVCLR-AWEZNQCLSA-N 2 1 238.375 1.727 20 0 BDADMP Cc1cccnc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000294967223 179371094 /nfs/dbraw/zinc/37/10/94/179371094.db2.gz ITAGDBIUFLMVNC-UHFFFAOYSA-N 2 1 233.359 1.616 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229088236 179375795 /nfs/dbraw/zinc/37/57/95/179375795.db2.gz GHMKYNHWJGXXBT-AAEUAGOBSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545965 179378427 /nfs/dbraw/zinc/37/84/27/179378427.db2.gz VUUJMUSKLITTDT-BFHYXJOUSA-N 2 1 245.370 1.949 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251622226 362892636 /nfs/dbraw/zinc/89/26/36/362892636.db2.gz DLLWRGKRARTPHQ-SYCZCVCYSA-N 2 1 238.375 1.769 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000251616491 362892674 /nfs/dbraw/zinc/89/26/74/362892674.db2.gz DFJDEWLDPOFHRD-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000069847308 490187422 /nfs/dbraw/zinc/18/74/22/490187422.db2.gz XRIOPKVWQDVYNI-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(NCC[C@@H](C)[NH3+])n1 ZINC000420162249 192165627 /nfs/dbraw/zinc/16/56/27/192165627.db2.gz XSKMDNXIMWMCGY-SECBINFHSA-N 2 1 246.318 1.120 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CCOCC2)CC[N@H+]1C ZINC000397894951 362933971 /nfs/dbraw/zinc/93/39/71/362933971.db2.gz UPUYEMUCQYYQCC-YPMHNXCESA-N 2 1 224.348 1.405 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000308861149 348908546 /nfs/dbraw/zinc/90/85/46/348908546.db2.gz PGSCAWCSSWOJDW-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598971870 349069608 /nfs/dbraw/zinc/06/96/08/349069608.db2.gz HNVQZRDHULMOGO-GLKRBJQHSA-N 2 1 246.420 1.216 20 0 BDADMP C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598971870 349069610 /nfs/dbraw/zinc/06/96/10/349069610.db2.gz HNVQZRDHULMOGO-GLKRBJQHSA-N 2 1 246.420 1.216 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000220423873 490226018 /nfs/dbraw/zinc/22/60/18/490226018.db2.gz FWOSHMUSRZCNPQ-UFBFGSQYSA-N 2 1 223.320 1.461 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000220423873 490226023 /nfs/dbraw/zinc/22/60/23/490226023.db2.gz FWOSHMUSRZCNPQ-UFBFGSQYSA-N 2 1 223.320 1.461 20 0 BDADMP CSCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386097864 362940601 /nfs/dbraw/zinc/94/06/01/362940601.db2.gz JFJKELYLAVOQFE-NXEZZACHSA-N 2 1 202.367 1.470 20 0 BDADMP CCn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252880603 349220824 /nfs/dbraw/zinc/22/08/24/349220824.db2.gz YKNLSSYEXKWTAE-RWMBFGLXSA-N 2 1 248.374 1.462 20 0 BDADMP CCn1ccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252880603 349220828 /nfs/dbraw/zinc/22/08/28/349220828.db2.gz YKNLSSYEXKWTAE-RWMBFGLXSA-N 2 1 248.374 1.462 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623528397 362946812 /nfs/dbraw/zinc/94/68/12/362946812.db2.gz KLBUXXFZUJCILP-UTUOFQBUSA-N 2 1 228.380 1.872 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309061717 349428751 /nfs/dbraw/zinc/42/87/51/349428751.db2.gz XAZJUHVDBRAELT-FIQHERPVSA-N 2 1 212.337 1.236 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309061717 349428754 /nfs/dbraw/zinc/42/87/54/349428754.db2.gz XAZJUHVDBRAELT-FIQHERPVSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+](C)C1CCCCC1 ZINC000422702322 192434414 /nfs/dbraw/zinc/43/44/14/192434414.db2.gz KKSWEHPGISGPOT-QWHCGFSZSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000380981720 350098966 /nfs/dbraw/zinc/09/89/66/350098966.db2.gz ITIDZTSXYOREJT-ZYHUDNBSSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000380981720 350098967 /nfs/dbraw/zinc/09/89/67/350098967.db2.gz ITIDZTSXYOREJT-ZYHUDNBSSA-N 2 1 228.380 1.466 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422706735 192436402 /nfs/dbraw/zinc/43/64/02/192436402.db2.gz FSZIRVQLJYQMFA-TUAOUCFPSA-N 2 1 214.353 1.268 20 0 BDADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132446237 191033341 /nfs/dbraw/zinc/03/33/41/191033341.db2.gz JJDHRFSRTNMQCP-WDEREUQCSA-N 2 1 216.394 1.812 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000132202911 191027420 /nfs/dbraw/zinc/02/74/20/191027420.db2.gz BEGTZJXBQRNZQZ-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000309193946 350167171 /nfs/dbraw/zinc/16/71/71/350167171.db2.gz CXZWEHAVMWVGAI-FRRDWIJNSA-N 2 1 227.396 1.575 20 0 BDADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cn[nH]c1)C(C)(C)C ZINC000604771104 350186470 /nfs/dbraw/zinc/18/64/70/350186470.db2.gz XAOOMQPIYWZXJZ-GFCCVEGCSA-N 2 1 238.379 1.866 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC[C@@H](C)O ZINC000305189321 180234063 /nfs/dbraw/zinc/23/40/63/180234063.db2.gz QUFAHXODNWUOGP-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC[C@@H](C)O ZINC000305189321 180234066 /nfs/dbraw/zinc/23/40/66/180234066.db2.gz QUFAHXODNWUOGP-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccno1 ZINC000271008720 180235864 /nfs/dbraw/zinc/23/58/64/180235864.db2.gz LQJFAQVCPJAUTL-UHFFFAOYSA-N 2 1 234.303 1.702 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccno1 ZINC000271008720 180235866 /nfs/dbraw/zinc/23/58/66/180235866.db2.gz LQJFAQVCPJAUTL-UHFFFAOYSA-N 2 1 234.303 1.702 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]CC1(C)COC1 ZINC000352764787 180237590 /nfs/dbraw/zinc/23/75/90/180237590.db2.gz JBZXCHRAUJQWSD-UHFFFAOYSA-N 2 1 237.347 1.598 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cn1cccn1 ZINC000269892439 180248093 /nfs/dbraw/zinc/24/80/93/180248093.db2.gz DLTIVMWBYNLWBM-GFCCVEGCSA-N 2 1 247.346 1.456 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1cnccn1 ZINC000271356385 180252678 /nfs/dbraw/zinc/25/26/78/180252678.db2.gz PDVHFMSULUBWHB-UHFFFAOYSA-N 2 1 245.330 1.156 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CCc1cnccn1 ZINC000271356385 180252683 /nfs/dbraw/zinc/25/26/83/180252683.db2.gz PDVHFMSULUBWHB-UHFFFAOYSA-N 2 1 245.330 1.156 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](CCO)C1CCC1 ZINC000221170948 180253054 /nfs/dbraw/zinc/25/30/54/180253054.db2.gz BVBAJGXWTCTLFB-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](CCO)C1CCC1 ZINC000221170948 180253056 /nfs/dbraw/zinc/25/30/56/180253056.db2.gz BVBAJGXWTCTLFB-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336615338 180253385 /nfs/dbraw/zinc/25/33/85/180253385.db2.gz MNAFTFLKZNZBBX-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336615338 180253387 /nfs/dbraw/zinc/25/33/87/180253387.db2.gz MNAFTFLKZNZBBX-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[NH+](C(C)C)CC1 ZINC000336715073 180256755 /nfs/dbraw/zinc/25/67/55/180256755.db2.gz SSJJWQHFUIOMHI-UHFFFAOYSA-N 2 1 236.363 1.218 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CCO ZINC000336691439 180242704 /nfs/dbraw/zinc/24/27/04/180242704.db2.gz HBMVNRWISVDXMV-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CCO ZINC000336691439 180242706 /nfs/dbraw/zinc/24/27/06/180242706.db2.gz HBMVNRWISVDXMV-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1CCCOC1 ZINC000337952620 180243124 /nfs/dbraw/zinc/24/31/24/180243124.db2.gz ZCYUFUSKKJSYEL-CYBMUJFWSA-N 2 1 237.347 1.598 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cncn1C ZINC000263834085 180243447 /nfs/dbraw/zinc/24/34/47/180243447.db2.gz ANQJRMQYFOQERY-UHFFFAOYSA-N 2 1 233.319 1.105 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1Cc2ccccc2C1 ZINC000223007660 180260699 /nfs/dbraw/zinc/26/06/99/180260699.db2.gz IBWAFACOBLTSPY-UHFFFAOYSA-N 2 1 241.338 1.949 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CSC[C@@H]1C ZINC000285849786 180262176 /nfs/dbraw/zinc/26/21/76/180262176.db2.gz HZRPACJDOJQUKI-ONGXEEELSA-N 2 1 225.361 1.533 20 0 BDADMP Cc1[nH+]ccn1CCOCCn1cc[nH+]c1C ZINC000038254847 180262670 /nfs/dbraw/zinc/26/26/70/180262670.db2.gz AGABUDGZPATFBO-UHFFFAOYSA-N 2 1 234.303 1.413 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000275198337 180265230 /nfs/dbraw/zinc/26/52/30/180265230.db2.gz PYLYBLKGSHSNJR-WDEREUQCSA-N 2 1 247.346 1.902 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cncnc1 ZINC000171764684 180265989 /nfs/dbraw/zinc/26/59/89/180265989.db2.gz CGPLUKGUQDFWPO-LLVKDONJSA-N 2 1 245.330 1.407 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccn1C ZINC000119070620 180266731 /nfs/dbraw/zinc/26/67/31/180266731.db2.gz JXOMAVUYDPECIA-LBPRGKRZSA-N 2 1 246.358 1.956 20 0 BDADMP Fc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040577 350302651 /nfs/dbraw/zinc/30/26/51/350302651.db2.gz JOUDKESCVBJHQO-UHFFFAOYSA-N 2 1 208.280 1.667 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2=CCOCC2)CC1(C)C ZINC000623537310 362955702 /nfs/dbraw/zinc/95/57/02/362955702.db2.gz TWXLEKMEQDKCNN-ZDUSSCGKSA-N 2 1 238.375 1.796 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228149266 180319101 /nfs/dbraw/zinc/31/91/01/180319101.db2.gz KSSYCOBDPXIZHD-WPRPVWTQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncsc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000084149336 180322680 /nfs/dbraw/zinc/32/26/80/180322680.db2.gz MMQXVDWDGUMSAH-VIFPVBQESA-N 2 1 227.377 1.881 20 0 BDADMP CCOC1CC([NH2+]C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000162781825 350426881 /nfs/dbraw/zinc/42/68/81/350426881.db2.gz FTLLJIRXNBNKTN-HIFPTAJRSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227055423 180339045 /nfs/dbraw/zinc/33/90/45/180339045.db2.gz MSZZWIMLAKJBMV-ZANVPECISA-N 2 1 236.363 1.206 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227055423 180339047 /nfs/dbraw/zinc/33/90/47/180339047.db2.gz MSZZWIMLAKJBMV-ZANVPECISA-N 2 1 236.363 1.206 20 0 BDADMP COCC(COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623539931 362958629 /nfs/dbraw/zinc/95/86/29/362958629.db2.gz CPCVJXHVXVBEAK-LLVKDONJSA-N 2 1 244.379 1.110 20 0 BDADMP COCC(COC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623539931 362958632 /nfs/dbraw/zinc/95/86/32/362958632.db2.gz CPCVJXHVXVBEAK-LLVKDONJSA-N 2 1 244.379 1.110 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000306015603 350528371 /nfs/dbraw/zinc/52/83/71/350528371.db2.gz RXDVHBTUXLEJQY-GFCCVEGCSA-N 2 1 249.358 1.568 20 0 BDADMP CC1(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000309507623 350679051 /nfs/dbraw/zinc/67/90/51/350679051.db2.gz NUJYFXMATCQABC-ZDUSSCGKSA-N 2 1 208.349 1.862 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)C2CCC2)CC1(C)C ZINC000623563426 362987562 /nfs/dbraw/zinc/98/75/62/362987562.db2.gz XZCJUMBOPHDCLZ-CHWSQXEVSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)([NH3+])CNc1cc[nH+]cc1Br ZINC000159921897 351037076 /nfs/dbraw/zinc/03/70/76/351037076.db2.gz HXRZRVGCRDLRRD-UHFFFAOYSA-N 2 1 244.136 1.993 20 0 BDADMP Cc1nc(C)c(C[N@@H+](C)CC2CN(C)C2)o1 ZINC000628338927 351286395 /nfs/dbraw/zinc/28/63/95/351286395.db2.gz ZVJKSVKOIIZZMM-UHFFFAOYSA-N 2 1 223.320 1.285 20 0 BDADMP Cc1nc(C)c(C[N@H+](C)CC2CN(C)C2)o1 ZINC000628338927 351286398 /nfs/dbraw/zinc/28/63/98/351286398.db2.gz ZVJKSVKOIIZZMM-UHFFFAOYSA-N 2 1 223.320 1.285 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCCCO1 ZINC000252093431 363026831 /nfs/dbraw/zinc/02/68/31/363026831.db2.gz HLSTXJOTOCQHAY-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@H+]1CC[C@H](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000637802303 351634615 /nfs/dbraw/zinc/63/46/15/351634615.db2.gz UJHKSRCTAJGDSF-GFCCVEGCSA-N 2 1 247.342 1.426 20 0 BDADMP CC(C)([NH3+])CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000420194122 192173651 /nfs/dbraw/zinc/17/36/51/192173651.db2.gz DNGIXYYMUDGBDL-UHFFFAOYSA-N 2 1 249.362 1.038 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@H]1CCCOC1 ZINC000414854740 351905859 /nfs/dbraw/zinc/90/58/59/351905859.db2.gz VIXIJBABMHZXFU-NEPJUHHUSA-N 2 1 214.353 1.376 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]1CCCOC1 ZINC000414854743 351905869 /nfs/dbraw/zinc/90/58/69/351905869.db2.gz VIXIJBABMHZXFU-VXGBXAGGSA-N 2 1 214.353 1.376 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638076850 351949583 /nfs/dbraw/zinc/94/95/83/351949583.db2.gz OBZDSSFSPVZXKL-GFCCVEGCSA-N 2 1 235.331 1.171 20 0 BDADMP Cc1cnc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)o1 ZINC000638335777 352154473 /nfs/dbraw/zinc/15/44/73/352154473.db2.gz RWSSWGRLGIFHAO-SNVBAGLBSA-N 2 1 248.330 1.914 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C[C@H]1CCO1 ZINC000638368429 352179288 /nfs/dbraw/zinc/17/92/88/352179288.db2.gz LDVUADXCULDTMF-MJBXVCDLSA-N 2 1 238.375 1.772 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638381003 352190946 /nfs/dbraw/zinc/19/09/46/352190946.db2.gz HCINXGGAFNTFPG-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638452420 352263305 /nfs/dbraw/zinc/26/33/05/352263305.db2.gz YXXQLEDBIUYAGS-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000411160851 191163385 /nfs/dbraw/zinc/16/33/85/191163385.db2.gz XKHOXNQPEQZUSE-UHFFFAOYSA-N 2 1 239.407 1.500 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261589652 535176683 /nfs/dbraw/zinc/17/66/83/535176683.db2.gz UAFWAMOFMXWPNY-YNEHKIRRSA-N 2 1 226.364 1.328 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533534 352352936 /nfs/dbraw/zinc/35/29/36/352352936.db2.gz JMZUKUDPFKHXHR-LLVKDONJSA-N 2 1 222.336 1.150 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533534 352352940 /nfs/dbraw/zinc/35/29/40/352352940.db2.gz JMZUKUDPFKHXHR-LLVKDONJSA-N 2 1 222.336 1.150 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000307358337 352336267 /nfs/dbraw/zinc/33/62/67/352336267.db2.gz DOHBYGZIWYQULJ-AEJSXWLSSA-N 2 1 200.351 1.222 20 0 BDADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000414933544 352340707 /nfs/dbraw/zinc/34/07/07/352340707.db2.gz UITGRHJMEJWJGT-YPMHNXCESA-N 2 1 206.333 1.945 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414955713 352375164 /nfs/dbraw/zinc/37/51/64/352375164.db2.gz MPIDFMJNGYFURV-MWLCHTKSSA-N 2 1 239.388 1.793 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000638589101 352420808 /nfs/dbraw/zinc/42/08/08/352420808.db2.gz RDAIAHNSURRVBQ-HBNTYKKESA-N 2 1 232.318 1.962 20 0 BDADMP CC(C)(c1nc(C[NH3+])no1)[C@@H]([NH3+])c1ccccc1 ZINC000577848858 366083747 /nfs/dbraw/zinc/08/37/47/366083747.db2.gz JRMPQOPHWSIRKY-NSHDSACASA-N 2 1 246.314 1.506 20 0 BDADMP CC[C@H]1CO[C@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000042451979 352621979 /nfs/dbraw/zinc/62/19/79/352621979.db2.gz JHQOVMSFVBTHLZ-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000042464372 352622585 /nfs/dbraw/zinc/62/25/85/352622585.db2.gz IGOSXRJGGIUWSJ-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000049566105 352634211 /nfs/dbraw/zinc/63/42/11/352634211.db2.gz KXGNODCUEVFXEZ-VXGBXAGGSA-N 2 1 240.347 1.113 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402125 352637301 /nfs/dbraw/zinc/63/73/01/352637301.db2.gz FCTOATGQGAUGRG-SECBINFHSA-N 2 1 238.335 1.638 20 0 BDADMP CC[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402125 352637304 /nfs/dbraw/zinc/63/73/04/352637304.db2.gz FCTOATGQGAUGRG-SECBINFHSA-N 2 1 238.335 1.638 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cnn2ccccc12 ZINC000334198563 352790540 /nfs/dbraw/zinc/79/05/40/352790540.db2.gz MQBNDPBQUZPEDQ-DGCLKSJQSA-N 2 1 244.342 1.374 20 0 BDADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000334319371 352950412 /nfs/dbraw/zinc/95/04/12/352950412.db2.gz XTJCKZNVAQJECJ-LBPRGKRZSA-N 2 1 244.342 1.423 20 0 BDADMP CCOC1CC(C[NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000638838130 353022322 /nfs/dbraw/zinc/02/23/22/353022322.db2.gz CUCVIPJKBHTMHB-UHFFFAOYSA-N 2 1 238.375 1.653 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000092375543 538106797 /nfs/dbraw/zinc/10/67/97/538106797.db2.gz ODCBQRURAINOLY-NSHDSACASA-N 2 1 238.379 1.412 20 0 BDADMP CC(C)(N)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632528 535198137 /nfs/dbraw/zinc/19/81/37/535198137.db2.gz GSYKQDFDMZPLSK-NWDGAFQWSA-N 2 1 225.380 1.045 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632528 535198141 /nfs/dbraw/zinc/19/81/41/535198141.db2.gz GSYKQDFDMZPLSK-NWDGAFQWSA-N 2 1 225.380 1.045 20 0 BDADMP CC(C)C[C@@H](CO)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000360495653 188069197 /nfs/dbraw/zinc/06/91/97/188069197.db2.gz MMJRAWZSWRTWPV-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[C@@H](CO)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000360495653 188069198 /nfs/dbraw/zinc/06/91/98/188069198.db2.gz MMJRAWZSWRTWPV-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[C@@H](CO)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000360495653 188069199 /nfs/dbraw/zinc/06/91/99/188069199.db2.gz MMJRAWZSWRTWPV-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368319089 188072425 /nfs/dbraw/zinc/07/24/25/188072425.db2.gz VGKIIYJEGIYWSX-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368319089 188072427 /nfs/dbraw/zinc/07/24/27/188072427.db2.gz VGKIIYJEGIYWSX-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)COCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368319089 188072429 /nfs/dbraw/zinc/07/24/29/188072429.db2.gz VGKIIYJEGIYWSX-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)COCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368319089 188072431 /nfs/dbraw/zinc/07/24/31/188072431.db2.gz VGKIIYJEGIYWSX-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C1CC([N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000371464176 188074745 /nfs/dbraw/zinc/07/47/45/188074745.db2.gz PHLILYKYWVXWME-YUTCNCBUSA-N 2 1 220.360 1.955 20 0 BDADMP C1CC([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000371464176 188074747 /nfs/dbraw/zinc/07/47/47/188074747.db2.gz PHLILYKYWVXWME-YUTCNCBUSA-N 2 1 220.360 1.955 20 0 BDADMP C1CC([NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000371464176 188074749 /nfs/dbraw/zinc/07/47/49/188074749.db2.gz PHLILYKYWVXWME-YUTCNCBUSA-N 2 1 220.360 1.955 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(N[C@@H](C)CC[NH3+])n1 ZINC000420226490 192178398 /nfs/dbraw/zinc/17/83/98/192178398.db2.gz LWVVQQAMRPPLIF-VIFPVBQESA-N 2 1 246.318 1.120 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000336784903 188084194 /nfs/dbraw/zinc/08/41/94/188084194.db2.gz ADMFGSCTYPHCQX-JHJVBQTASA-N 2 1 249.358 1.595 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000520972751 353218328 /nfs/dbraw/zinc/21/83/28/353218328.db2.gz BOPKXFYCZLJRHC-MNOVXSKESA-N 2 1 216.369 1.323 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367601846 188160530 /nfs/dbraw/zinc/16/05/30/188160530.db2.gz PWQNXLLAKGCHPE-MJBXVCDLSA-N 2 1 248.374 1.681 20 0 BDADMP C[N@H+](CCc1nccs1)CCn1ccnc1 ZINC000162643314 188160588 /nfs/dbraw/zinc/16/05/88/188160588.db2.gz CKIIIPLSZDLNPG-UHFFFAOYSA-N 2 1 236.344 1.514 20 0 BDADMP C([NH2+]C1CCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485286 188161892 /nfs/dbraw/zinc/16/18/92/188161892.db2.gz TVACEIRGJVSWDK-NSHDSACASA-N 2 1 224.348 1.239 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCOCC12CCCC2 ZINC000334625496 188161931 /nfs/dbraw/zinc/16/19/31/188161931.db2.gz PJBIOYFAVDBLSB-UHFFFAOYSA-N 2 1 238.375 1.631 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000223060051 188180064 /nfs/dbraw/zinc/18/00/64/188180064.db2.gz BKABYMFYOFVAMH-ZYHUDNBSSA-N 2 1 223.320 1.349 20 0 BDADMP CC(C)[N@@H+](C[C@H](O)CN(C)C1CC1)C1CC1 ZINC000336648595 188181847 /nfs/dbraw/zinc/18/18/47/188181847.db2.gz GFTOHNYLBHWGND-CYBMUJFWSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336648595 188181848 /nfs/dbraw/zinc/18/18/48/188181848.db2.gz GFTOHNYLBHWGND-CYBMUJFWSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336648595 188181849 /nfs/dbraw/zinc/18/18/49/188181849.db2.gz GFTOHNYLBHWGND-CYBMUJFWSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000336648595 188181850 /nfs/dbraw/zinc/18/18/50/188181850.db2.gz GFTOHNYLBHWGND-CYBMUJFWSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000336648595 188181851 /nfs/dbraw/zinc/18/18/51/188181851.db2.gz GFTOHNYLBHWGND-CYBMUJFWSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)C(C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)C ZINC000341295747 188218108 /nfs/dbraw/zinc/21/81/08/188218108.db2.gz YTYPQNRZIBOYRR-AWEZNQCLSA-N 2 1 242.407 1.571 20 0 BDADMP CC(C)C(C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000341295747 188218109 /nfs/dbraw/zinc/21/81/09/188218109.db2.gz YTYPQNRZIBOYRR-AWEZNQCLSA-N 2 1 242.407 1.571 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CCC(C)(C)O)CC2 ZINC000336534087 188231127 /nfs/dbraw/zinc/23/11/27/188231127.db2.gz NMWCWCZGEKRVAD-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)[N@@H+](C)CCCNCc1cc[nH]c1 ZINC000165658922 188223151 /nfs/dbraw/zinc/22/31/51/188223151.db2.gz ZDKZYGBBZZAISY-UHFFFAOYSA-N 2 1 209.337 1.835 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc[nH]c1 ZINC000165658922 188223152 /nfs/dbraw/zinc/22/31/52/188223152.db2.gz ZDKZYGBBZZAISY-UHFFFAOYSA-N 2 1 209.337 1.835 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc[nH]c1 ZINC000165658922 188223154 /nfs/dbraw/zinc/22/31/54/188223154.db2.gz ZDKZYGBBZZAISY-UHFFFAOYSA-N 2 1 209.337 1.835 20 0 BDADMP C([C@@H]1CCOC1)[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021694 188223222 /nfs/dbraw/zinc/22/32/22/188223222.db2.gz IAEAYJMHYKSXOK-ZDUSSCGKSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](Cc1nccs1)CC1CC[NH+](C)CC1 ZINC000135070097 538114650 /nfs/dbraw/zinc/11/46/50/538114650.db2.gz NQBKYLQUBPNOKQ-UHFFFAOYSA-N 2 1 239.388 1.917 20 0 BDADMP C[N@H+](Cc1nccs1)CC1CC[NH+](C)CC1 ZINC000135070097 538114651 /nfs/dbraw/zinc/11/46/51/538114651.db2.gz NQBKYLQUBPNOKQ-UHFFFAOYSA-N 2 1 239.388 1.917 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698932 353303497 /nfs/dbraw/zinc/30/34/97/353303497.db2.gz PXIDIYDVKJNIQW-IJLUTSLNSA-N 2 1 219.332 1.812 20 0 BDADMP C[NH+](C)CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639063959 353374676 /nfs/dbraw/zinc/37/46/76/353374676.db2.gz ATCCADJHWITONA-LLVKDONJSA-N 2 1 247.342 1.027 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000230127242 353473553 /nfs/dbraw/zinc/47/35/53/353473553.db2.gz WKQWHMVRYXFAFN-OUAUKWLOSA-N 2 1 237.372 1.702 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000230127242 353473554 /nfs/dbraw/zinc/47/35/54/353473554.db2.gz WKQWHMVRYXFAFN-OUAUKWLOSA-N 2 1 237.372 1.702 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000230127250 353473604 /nfs/dbraw/zinc/47/36/04/353473604.db2.gz WKQWHMVRYXFAFN-GARJFASQSA-N 2 1 237.372 1.702 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000230127250 353473605 /nfs/dbraw/zinc/47/36/05/353473605.db2.gz WKQWHMVRYXFAFN-GARJFASQSA-N 2 1 237.372 1.702 20 0 BDADMP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncn1 ZINC000343330852 353739972 /nfs/dbraw/zinc/73/99/72/353739972.db2.gz GCYLKBXWLPNYML-FUNVUKJBSA-N 2 1 246.358 1.846 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000220423803 353836280 /nfs/dbraw/zinc/83/62/80/353836280.db2.gz FWOSHMUSRZCNPQ-QPUJVOFHSA-N 2 1 223.320 1.461 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000220423803 353836282 /nfs/dbraw/zinc/83/62/82/353836282.db2.gz FWOSHMUSRZCNPQ-QPUJVOFHSA-N 2 1 223.320 1.461 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@@H+](C)CCC[NH+](C)C)OC ZINC000639168406 354073737 /nfs/dbraw/zinc/07/37/37/354073737.db2.gz STJMKBLOYIRODA-CHWSQXEVSA-N 2 1 230.396 1.931 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+](CCc1cn[nH]c1)CC2 ZINC000334568392 354092125 /nfs/dbraw/zinc/09/21/25/354092125.db2.gz ZTNFURFFTLNHRL-UHFFFAOYSA-N 2 1 248.374 1.512 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CCc1cn[nH]c1)CC2 ZINC000334568392 354092130 /nfs/dbraw/zinc/09/21/30/354092130.db2.gz ZTNFURFFTLNHRL-UHFFFAOYSA-N 2 1 248.374 1.512 20 0 BDADMP CCC[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344098219 354139916 /nfs/dbraw/zinc/13/99/16/354139916.db2.gz YDMMVKNUMWYARW-AWEZNQCLSA-N 2 1 243.439 1.990 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344128112 354146585 /nfs/dbraw/zinc/14/65/85/354146585.db2.gz IEVIGWYNBSKZIE-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[N@@H+](CC)CCN1CC[NH+](CC)CC1 ZINC000344127989 354146613 /nfs/dbraw/zinc/14/66/13/354146613.db2.gz HSQGZPMBTAICPD-UHFFFAOYSA-N 2 1 227.396 1.356 20 0 BDADMP CC[N@@H+]1C[C@H](NCc2cccc(CO)c2)[C@@H](C)C1 ZINC000344230471 354184897 /nfs/dbraw/zinc/18/48/97/354184897.db2.gz IJEZQPDOICTAGC-WFASDCNBSA-N 2 1 248.370 1.609 20 0 BDADMP CC[N@@H+](CCC[C@@H]1CCO1)CCC[NH+](C)C ZINC000639175176 354193082 /nfs/dbraw/zinc/19/30/82/354193082.db2.gz ICHOQYLBADQMLO-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP C[C@H]1C[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)CC[NH2+]1 ZINC000334587519 354212590 /nfs/dbraw/zinc/21/25/90/354212590.db2.gz OOWDWBMNLXIKGO-QWHCGFSZSA-N 3 1 237.391 1.202 20 0 BDADMP CC(C)[C@@H](O)C1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000344304422 354214293 /nfs/dbraw/zinc/21/42/93/354214293.db2.gz UDUQJNCLOCUULC-CYBMUJFWSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000334589745 354218783 /nfs/dbraw/zinc/21/87/83/354218783.db2.gz SFYHPJXZWSCGDQ-GWCFXTLKSA-N 2 1 236.363 1.490 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000334589745 354218785 /nfs/dbraw/zinc/21/87/85/354218785.db2.gz SFYHPJXZWSCGDQ-GWCFXTLKSA-N 2 1 236.363 1.490 20 0 BDADMP [NH3+]C1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334614819 354299999 /nfs/dbraw/zinc/29/99/99/354299999.db2.gz FVWDTWFLRFEINW-WHXUTIOJSA-N 3 1 247.333 1.091 20 0 BDADMP CCc1cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc[nH+]1 ZINC000334630101 354372227 /nfs/dbraw/zinc/37/22/27/354372227.db2.gz ZQFZDSKWNJPKJQ-SMDDNHRTSA-N 2 1 231.343 1.784 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000349424436 366191246 /nfs/dbraw/zinc/19/12/46/366191246.db2.gz NJJJBTXYHAHHQX-STQMWFEESA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000349424434 366191378 /nfs/dbraw/zinc/19/13/78/366191378.db2.gz NJJJBTXYHAHHQX-OLZOCXBDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000349424433 366191904 /nfs/dbraw/zinc/19/19/04/366191904.db2.gz NJJJBTXYHAHHQX-CHWSQXEVSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000346627934 354997491 /nfs/dbraw/zinc/99/74/91/354997491.db2.gz ADCLFHRVMWJSOJ-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000346627934 354997493 /nfs/dbraw/zinc/99/74/93/354997493.db2.gz ADCLFHRVMWJSOJ-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP C[N@@H+](Cc1ccc2c[nH]nc2c1)CC(C)(C)C[NH3+] ZINC000346640263 355015281 /nfs/dbraw/zinc/01/52/81/355015281.db2.gz ARFWWCHUDGNNKJ-UHFFFAOYSA-N 2 1 246.358 1.980 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C)[C@H]2C)CC[N@H+]1C ZINC000346803364 355109516 /nfs/dbraw/zinc/10/95/16/355109516.db2.gz VJOMGJCGGFCHSX-RQJABVFESA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000346803364 355109518 /nfs/dbraw/zinc/10/95/18/355109518.db2.gz VJOMGJCGGFCHSX-RQJABVFESA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](C)[C@H]2C)CC[NH+]1C ZINC000346803364 355109522 /nfs/dbraw/zinc/10/95/22/355109522.db2.gz VJOMGJCGGFCHSX-RQJABVFESA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)([NH3+])C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000346823968 355126064 /nfs/dbraw/zinc/12/60/64/355126064.db2.gz KGPDZANRHMLPPZ-UHFFFAOYSA-N 2 1 249.358 1.101 20 0 BDADMP CC(C)([NH3+])C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000346823968 355126069 /nfs/dbraw/zinc/12/60/69/355126069.db2.gz KGPDZANRHMLPPZ-UHFFFAOYSA-N 2 1 249.358 1.101 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000346786431 355116447 /nfs/dbraw/zinc/11/64/47/355116447.db2.gz DZPDGHPZAFPQCG-TZMCWYRMSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+](C)CCCC1CCN(CC(C)(C)[NH3+])CC1 ZINC000346961802 355169609 /nfs/dbraw/zinc/16/96/09/355169609.db2.gz GBEXXOGXYCADOF-UHFFFAOYSA-N 2 1 241.423 1.778 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346997568 355195684 /nfs/dbraw/zinc/19/56/84/355195684.db2.gz WZDZPTOSTUOXHF-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+]CCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000335259890 355199534 /nfs/dbraw/zinc/19/95/34/355199534.db2.gz XJFJAVPNSJEESA-UHFFFAOYSA-N 2 1 208.280 1.533 20 0 BDADMP [NH3+]CCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000335259890 355199536 /nfs/dbraw/zinc/19/95/36/355199536.db2.gz XJFJAVPNSJEESA-UHFFFAOYSA-N 2 1 208.280 1.533 20 0 BDADMP C[C@H](F)CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000352006602 134034653 /nfs/dbraw/zinc/03/46/53/134034653.db2.gz URMYIQSBFYHANB-STQMWFEESA-N 2 1 244.354 1.389 20 0 BDADMP CC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000412974449 191345088 /nfs/dbraw/zinc/34/50/88/191345088.db2.gz AMZVDUCUIUZAST-QNMSZWNNSA-N 2 1 240.391 1.968 20 0 BDADMP CC[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000412974449 191345091 /nfs/dbraw/zinc/34/50/91/191345091.db2.gz AMZVDUCUIUZAST-QNMSZWNNSA-N 2 1 240.391 1.968 20 0 BDADMP CC[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000412974449 191345094 /nfs/dbraw/zinc/34/50/94/191345094.db2.gz AMZVDUCUIUZAST-QNMSZWNNSA-N 2 1 240.391 1.968 20 0 BDADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000639245360 355266959 /nfs/dbraw/zinc/26/69/59/355266959.db2.gz WTHXWBHLALNPRC-STQMWFEESA-N 2 1 248.374 1.400 20 0 BDADMP CC[NH+](CC)CCCN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000347664116 355255076 /nfs/dbraw/zinc/25/50/76/355255076.db2.gz OUUBWNIOEFUOPT-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000166226307 355336656 /nfs/dbraw/zinc/33/66/56/355336656.db2.gz UNJXXNKNLHQCIW-ZYHUDNBSSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000394969654 355332212 /nfs/dbraw/zinc/33/22/12/355332212.db2.gz BHEVZCBMMLDGNA-LLVKDONJSA-N 2 1 240.391 1.752 20 0 BDADMP c1[nH]nc2c1CN([C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000623239422 355395647 /nfs/dbraw/zinc/39/56/47/355395647.db2.gz HQFLENUDPPHRGA-QWHCGFSZSA-N 2 1 246.358 1.395 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2CCO)CC[NH2+]1 ZINC000415090393 191676406 /nfs/dbraw/zinc/67/64/06/191676406.db2.gz ALLGJYWPISGBGF-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C1C[C@@H]2[C@H](CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)O1 ZINC000415084210 191673689 /nfs/dbraw/zinc/67/36/89/191673689.db2.gz GCLWKGZISRXEET-XQHKEYJVSA-N 2 1 224.348 1.286 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOC)C1 ZINC000350182135 355621933 /nfs/dbraw/zinc/62/19/33/355621933.db2.gz XEENISKLZNWXGC-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000167323080 355991314 /nfs/dbraw/zinc/99/13/14/355991314.db2.gz LHQXKQGUUUQKFD-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1ncc(C[N@@H+](C)CCCn2ccnc2)cn1 ZINC000351733758 356073330 /nfs/dbraw/zinc/07/33/30/356073330.db2.gz DODYPQWVPLYRCX-UHFFFAOYSA-N 2 1 245.330 1.504 20 0 BDADMP C[NH+](C)C1CC[NH+](CCCCF)CC1 ZINC000351861369 356099215 /nfs/dbraw/zinc/09/92/15/356099215.db2.gz ZNCLCNYLTLZWSF-UHFFFAOYSA-N 2 1 202.317 1.762 20 0 BDADMP Cc1cc(C)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000639456226 356241142 /nfs/dbraw/zinc/24/11/42/356241142.db2.gz DANZNPVJBDVRER-KBPBESRZSA-N 2 1 245.370 1.658 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000420297286 192204247 /nfs/dbraw/zinc/20/42/47/192204247.db2.gz YLIKLFWDRXQHQC-TZMCWYRMSA-N 2 1 233.359 1.683 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2COCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000420299222 192204509 /nfs/dbraw/zinc/20/45/09/192204509.db2.gz IJVMVGRXEGHVIL-MGPQQGTHSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000420296932 192205386 /nfs/dbraw/zinc/20/53/86/192205386.db2.gz XQWYQOWIZPLGQT-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420319853 192195367 /nfs/dbraw/zinc/19/53/67/192195367.db2.gz PRZWTTDTDRIATC-JSGCOSHPSA-N 2 1 248.374 1.936 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420273943 192196427 /nfs/dbraw/zinc/19/64/27/192196427.db2.gz NZNLRDGYJRINIU-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000420278358 192198992 /nfs/dbraw/zinc/19/89/92/192198992.db2.gz IZZSFAAITUELEW-VHSXEESVSA-N 2 1 245.330 1.309 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420285598 192199995 /nfs/dbraw/zinc/19/99/95/192199995.db2.gz FGQMZUXYLZNHPA-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420285598 192199996 /nfs/dbraw/zinc/19/99/96/192199996.db2.gz FGQMZUXYLZNHPA-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420302808 192206663 /nfs/dbraw/zinc/20/66/63/192206663.db2.gz GPSCHZMJHDQLRO-CYBMUJFWSA-N 2 1 240.347 1.014 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420287333 192200904 /nfs/dbraw/zinc/20/09/04/192200904.db2.gz GCMTUOYGTFLFIZ-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420287333 192200907 /nfs/dbraw/zinc/20/09/07/192200907.db2.gz GCMTUOYGTFLFIZ-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420302808 192206665 /nfs/dbraw/zinc/20/66/65/192206665.db2.gz GPSCHZMJHDQLRO-CYBMUJFWSA-N 2 1 240.347 1.014 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420318307 192214734 /nfs/dbraw/zinc/21/47/34/192214734.db2.gz OKHRZPUJTQEGBO-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC(=O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000639508582 356337908 /nfs/dbraw/zinc/33/79/08/356337908.db2.gz NZUZPZDBXSFLFK-ZDUSSCGKSA-N 2 1 224.348 1.239 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338942 192215509 /nfs/dbraw/zinc/21/55/09/192215509.db2.gz YIXUYSQYHDNWJA-IHRRRGAJSA-N 2 1 238.375 1.344 20 0 BDADMP CC(=O)Nc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000420342942 192216500 /nfs/dbraw/zinc/21/65/00/192216500.db2.gz WDULFTXVJZNTDM-UHFFFAOYSA-N 2 1 247.342 1.567 20 0 BDADMP CC(=O)Nc1cccc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000420342942 192216501 /nfs/dbraw/zinc/21/65/01/192216501.db2.gz WDULFTXVJZNTDM-UHFFFAOYSA-N 2 1 247.342 1.567 20 0 BDADMP C[N@@H+](Cc1cccc(C(F)F)c1)C[C@H](O)C[NH3+] ZINC000420351517 192216956 /nfs/dbraw/zinc/21/69/56/192216956.db2.gz KKMJRZPEENBVRX-LLVKDONJSA-N 2 1 244.285 1.376 20 0 BDADMP C[N@H+](Cc1cccc(C(F)F)c1)C[C@H](O)C[NH3+] ZINC000420351517 192216958 /nfs/dbraw/zinc/21/69/58/192216958.db2.gz KKMJRZPEENBVRX-LLVKDONJSA-N 2 1 244.285 1.376 20 0 BDADMP COCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349433 192217592 /nfs/dbraw/zinc/21/75/92/192217592.db2.gz CWYBWKKOVOWQLA-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349433 192217595 /nfs/dbraw/zinc/21/75/95/192217595.db2.gz CWYBWKKOVOWQLA-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCOCCOC)CC1 ZINC000352435471 356349218 /nfs/dbraw/zinc/34/92/18/356349218.db2.gz ORLCCGPHPGOHBB-UHFFFAOYSA-N 2 1 244.379 1.066 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCOCCOC)CC1 ZINC000352435471 356349223 /nfs/dbraw/zinc/34/92/23/356349223.db2.gz ORLCCGPHPGOHBB-UHFFFAOYSA-N 2 1 244.379 1.066 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420305224 192209032 /nfs/dbraw/zinc/20/90/32/192209032.db2.gz GHGIPWGGIIRKAF-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H]1CCCCO1 ZINC000420307286 192209085 /nfs/dbraw/zinc/20/90/85/192209085.db2.gz BWKVFGAGTBRVSB-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H]1CCCCO1 ZINC000420307286 192209088 /nfs/dbraw/zinc/20/90/88/192209088.db2.gz BWKVFGAGTBRVSB-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1nccn1CC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000336130789 134094218 /nfs/dbraw/zinc/09/42/18/134094218.db2.gz GBIIFIDLIGBHMK-ZDUSSCGKSA-N 2 1 249.358 1.571 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420312953 192210932 /nfs/dbraw/zinc/21/09/32/192210932.db2.gz JHWFDLRXPSTUHM-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000420309738 192210972 /nfs/dbraw/zinc/21/09/72/192210972.db2.gz FILSPTNKWCLTRK-HUUCEWRRSA-N 2 1 245.370 1.556 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420312810 192211540 /nfs/dbraw/zinc/21/15/40/192211540.db2.gz XITUOUAFCMQOMR-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420311985 192211770 /nfs/dbraw/zinc/21/17/70/192211770.db2.gz HKENCBHXMRQWRC-STQMWFEESA-N 2 1 248.374 1.589 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000420313273 192212306 /nfs/dbraw/zinc/21/23/06/192212306.db2.gz PNBQXAYJQWHUSY-ZIAGYGMSSA-N 3 1 239.407 1.450 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420317319 192212413 /nfs/dbraw/zinc/21/24/13/192212413.db2.gz ZJBINLKTWZNSTO-MELADBBJSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420317319 192212414 /nfs/dbraw/zinc/21/24/14/192212414.db2.gz ZJBINLKTWZNSTO-MELADBBJSA-N 3 1 239.407 1.387 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313303 192212705 /nfs/dbraw/zinc/21/27/05/192212705.db2.gz XXCCETYGHHZHRA-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]CCCN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000420367401 192225866 /nfs/dbraw/zinc/22/58/66/192225866.db2.gz VRNCKHFUHSMIJJ-UHFFFAOYSA-N 2 1 238.379 1.749 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000420370765 192226940 /nfs/dbraw/zinc/22/69/40/192226940.db2.gz ZDNQKMVFOIYMEU-SNVBAGLBSA-N 2 1 227.377 1.788 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000420370765 192226943 /nfs/dbraw/zinc/22/69/43/192226943.db2.gz ZDNQKMVFOIYMEU-SNVBAGLBSA-N 2 1 227.377 1.788 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H](C)c1nccs1 ZINC000420370763 192226999 /nfs/dbraw/zinc/22/69/99/192226999.db2.gz ZDNQKMVFOIYMEU-JTQLQIEISA-N 2 1 227.377 1.788 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000420370763 192227002 /nfs/dbraw/zinc/22/70/02/192227002.db2.gz ZDNQKMVFOIYMEU-JTQLQIEISA-N 2 1 227.377 1.788 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420370774 192227113 /nfs/dbraw/zinc/22/71/13/192227113.db2.gz ZDPCOMSXNXKAMS-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H](CCOC)C1 ZINC000420369822 192227378 /nfs/dbraw/zinc/22/73/78/192227378.db2.gz JATZBBCVXIHRIK-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000420322746 192227714 /nfs/dbraw/zinc/22/77/14/192227714.db2.gz SVRSHRCFBUQAJL-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC[NH+]1CCCCC1 ZINC000420322746 192227717 /nfs/dbraw/zinc/22/77/17/192227717.db2.gz SVRSHRCFBUQAJL-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP CCOCCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420369962 192228322 /nfs/dbraw/zinc/22/83/22/192228322.db2.gz VMRLRVLHHHZFHW-SNVBAGLBSA-N 2 1 202.342 1.376 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@H]1CCCCO1 ZINC000420372484 192229706 /nfs/dbraw/zinc/22/97/06/192229706.db2.gz XYLULKYVNJPZLU-VXGBXAGGSA-N 2 1 228.380 1.909 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326172 192230062 /nfs/dbraw/zinc/23/00/62/192230062.db2.gz JLCTZFUXQJJEJW-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@H]1CCCO1 ZINC000420361904 192221198 /nfs/dbraw/zinc/22/11/98/192221198.db2.gz MUNDTJJNBOITMF-MNOVXSKESA-N 2 1 214.353 1.519 20 0 BDADMP C[C@@H]1CCCC[N@@H+](CCOCC[NH3+])C1 ZINC000420365709 192223399 /nfs/dbraw/zinc/22/33/99/192223399.db2.gz FEMDAGJWCLGUME-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000420366512 192225113 /nfs/dbraw/zinc/22/51/13/192225113.db2.gz FXRDEGROAHNISI-NSHDSACASA-N 2 1 222.336 1.512 20 0 BDADMP [NH3+]CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420397815 192238181 /nfs/dbraw/zinc/23/81/81/192238181.db2.gz GIEZOTJTCLSTET-CHWSQXEVSA-N 2 1 220.316 1.313 20 0 BDADMP C[C@H]1CC[N@@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000420410738 192239337 /nfs/dbraw/zinc/23/93/37/192239337.db2.gz RHVMHCVFDWVIBM-AAEUAGOBSA-N 2 1 226.364 1.330 20 0 BDADMP CC[C@H]1CN(CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420375496 192231125 /nfs/dbraw/zinc/23/11/25/192231125.db2.gz POEGXPJWKZYGDC-HNNXBMFYSA-N 2 1 247.386 1.542 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420375783 192231503 /nfs/dbraw/zinc/23/15/03/192231503.db2.gz UMIDWCYVTHAVHO-NOOOWODRSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000420381230 192233518 /nfs/dbraw/zinc/23/35/18/192233518.db2.gz ZBIQHUHURXHPAP-AAVRWANBSA-N 2 1 240.391 1.922 20 0 BDADMP CCSCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420377419 192233670 /nfs/dbraw/zinc/23/36/70/192233670.db2.gz WHCSBMZKVTZIMM-GMTAPVOTSA-N 2 1 216.394 1.716 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@H]1CCCCO1 ZINC000261589977 535308899 /nfs/dbraw/zinc/30/88/99/535308899.db2.gz UGRNAPKRGBBUTB-CHWSQXEVSA-N 2 1 228.380 1.909 20 0 BDADMP CO[C@H]1CC[N@@H+](CCc2cncn2C)[C@H](C)C1 ZINC000639623875 356543582 /nfs/dbraw/zinc/54/35/82/356543582.db2.gz AGSZXWPNWQPFRE-YPMHNXCESA-N 2 1 237.347 1.462 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000420927998 192287543 /nfs/dbraw/zinc/28/75/43/192287543.db2.gz AZEKRIYJDHKEJT-YIYPIFLZSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000420927998 192287546 /nfs/dbraw/zinc/28/75/46/192287546.db2.gz AZEKRIYJDHKEJT-YIYPIFLZSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000420927998 192287547 /nfs/dbraw/zinc/28/75/47/192287547.db2.gz AZEKRIYJDHKEJT-YIYPIFLZSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H](F)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336198508 134127378 /nfs/dbraw/zinc/12/73/78/134127378.db2.gz SDYGZAHZGMHKSA-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@H](F)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336198508 134127379 /nfs/dbraw/zinc/12/73/79/134127379.db2.gz SDYGZAHZGMHKSA-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000421020960 192305640 /nfs/dbraw/zinc/30/56/40/192305640.db2.gz NTVMWDWRGOHVIW-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000421020960 192305642 /nfs/dbraw/zinc/30/56/42/192305642.db2.gz NTVMWDWRGOHVIW-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000421020960 192305644 /nfs/dbraw/zinc/30/56/44/192305644.db2.gz NTVMWDWRGOHVIW-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755459 356658000 /nfs/dbraw/zinc/65/80/00/356658000.db2.gz LTWZZJCVRUKJFV-CYBMUJFWSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](CO)SC)CC1 ZINC000168016779 134155545 /nfs/dbraw/zinc/15/55/45/134155545.db2.gz QVNAVBFTIXGQMA-CMPLNLGQSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@@H]([NH3+])CN1CC[NH+](Cc2ccsc2)CC1 ZINC000582244582 356673889 /nfs/dbraw/zinc/67/38/89/356673889.db2.gz GMBRIPLVBBWIPN-LLVKDONJSA-N 2 1 239.388 1.213 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423115497 192574562 /nfs/dbraw/zinc/57/45/62/192574562.db2.gz YASUXMWVXBGMME-RGDJUOJXSA-N 2 1 238.375 1.532 20 0 BDADMP CC(C)C[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761844 356679918 /nfs/dbraw/zinc/67/99/18/356679918.db2.gz FGFKGAMSJSALGD-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761844 356679919 /nfs/dbraw/zinc/67/99/19/356679919.db2.gz FGFKGAMSJSALGD-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000450402266 202155013 /nfs/dbraw/zinc/15/50/13/202155013.db2.gz KQJNNGFGAXAYCL-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CCC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450434634 202167674 /nfs/dbraw/zinc/16/76/74/202167674.db2.gz DLPWFLNNLZGHNC-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000450434634 202167678 /nfs/dbraw/zinc/16/76/78/202167678.db2.gz DLPWFLNNLZGHNC-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000450434634 202167681 /nfs/dbraw/zinc/16/76/81/202167681.db2.gz DLPWFLNNLZGHNC-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000383698773 538664761 /nfs/dbraw/zinc/66/47/61/538664761.db2.gz VGLADBNNUUTJCX-ZIAGYGMSSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000383698773 538664768 /nfs/dbraw/zinc/66/47/68/538664768.db2.gz VGLADBNNUUTJCX-ZIAGYGMSSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000383698773 538664772 /nfs/dbraw/zinc/66/47/72/538664772.db2.gz VGLADBNNUUTJCX-ZIAGYGMSSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358162352 356862022 /nfs/dbraw/zinc/86/20/22/356862022.db2.gz HLQFHDCJYRTPSV-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358162352 356862026 /nfs/dbraw/zinc/86/20/26/356862026.db2.gz HLQFHDCJYRTPSV-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623377272 356896508 /nfs/dbraw/zinc/89/65/08/356896508.db2.gz SPOMYXMGHMBXEO-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623377272 356896509 /nfs/dbraw/zinc/89/65/09/356896509.db2.gz SPOMYXMGHMBXEO-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623377272 356896513 /nfs/dbraw/zinc/89/65/13/356896513.db2.gz SPOMYXMGHMBXEO-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623377272 356896516 /nfs/dbraw/zinc/89/65/16/356896516.db2.gz SPOMYXMGHMBXEO-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623377272 356896518 /nfs/dbraw/zinc/89/65/18/356896518.db2.gz SPOMYXMGHMBXEO-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000353466583 538742779 /nfs/dbraw/zinc/74/27/79/538742779.db2.gz ZRIKLKNRQSFIAV-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP COc1cc([C@@H](C)[NH2+]CC[C@@H](C)[NH3+])c(F)cn1 ZINC000423225584 192636047 /nfs/dbraw/zinc/63/60/47/192636047.db2.gz NJGGNUQRVCANKT-RKDXNWHRSA-N 2 1 241.310 1.617 20 0 BDADMP CO[C@@H](C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623396477 357020887 /nfs/dbraw/zinc/02/08/87/357020887.db2.gz TWVNGFFVWZHKAS-RYUDHWBXSA-N 2 1 228.380 1.874 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423230209 192641567 /nfs/dbraw/zinc/64/15/67/192641567.db2.gz CYLGHOJHGBUGQM-NWDGAFQWSA-N 2 1 214.353 1.391 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000399997674 357145008 /nfs/dbraw/zinc/14/50/08/357145008.db2.gz LITANOTYHFDMHO-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000304705180 357171614 /nfs/dbraw/zinc/17/16/14/357171614.db2.gz KLXIRUREXYYGHJ-CQSZACIVSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423265246 192659732 /nfs/dbraw/zinc/65/97/32/192659732.db2.gz CRPZCCNKVGEYQS-UMSGYPCISA-N 2 1 225.380 1.044 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423265246 192659734 /nfs/dbraw/zinc/65/97/34/192659734.db2.gz CRPZCCNKVGEYQS-UMSGYPCISA-N 2 1 225.380 1.044 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CCCSC1 ZINC000168798671 357236391 /nfs/dbraw/zinc/23/63/91/357236391.db2.gz RTPXFDFDEAEDNS-NXEZZACHSA-N 2 1 200.351 1.305 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCCSC1 ZINC000168798671 357236396 /nfs/dbraw/zinc/23/63/96/357236396.db2.gz RTPXFDFDEAEDNS-NXEZZACHSA-N 2 1 200.351 1.305 20 0 BDADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000305158145 357185917 /nfs/dbraw/zinc/18/59/17/357185917.db2.gz WJODRDJVQGBHEF-HZSPNIEDSA-N 2 1 242.407 1.857 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000423295028 192684687 /nfs/dbraw/zinc/68/46/87/192684687.db2.gz DGWWZODXGRARCI-RWMBFGLXSA-N 2 1 228.380 1.909 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CCO)C(C)C)CC1 ZINC000168375517 134197716 /nfs/dbraw/zinc/19/77/16/134197716.db2.gz YYYLTDBJKYLDKC-ZDUSSCGKSA-N 2 1 228.380 1.467 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423299960 192689729 /nfs/dbraw/zinc/68/97/29/192689729.db2.gz QOXGNBHIVFQXMO-MCIONIFRSA-N 2 1 239.407 1.720 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CCC1 ZINC000583151996 357495434 /nfs/dbraw/zinc/49/54/34/357495434.db2.gz NOSBDEYONJESQK-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CCC1 ZINC000583151996 357495439 /nfs/dbraw/zinc/49/54/39/357495439.db2.gz NOSBDEYONJESQK-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1CCC1 ZINC000583151996 357495445 /nfs/dbraw/zinc/49/54/45/357495445.db2.gz NOSBDEYONJESQK-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1CCC1 ZINC000583151996 357495446 /nfs/dbraw/zinc/49/54/46/357495446.db2.gz NOSBDEYONJESQK-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397313911 357511904 /nfs/dbraw/zinc/51/19/04/357511904.db2.gz PXOQJIWPRWXAPD-NDBYEHHHSA-N 2 1 228.380 1.574 20 0 BDADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccccc2)CC1 ZINC000583058849 357470539 /nfs/dbraw/zinc/47/05/39/357470539.db2.gz OUPPPPSTMYJXLE-UHFFFAOYSA-N 2 1 248.370 1.623 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC(C)C ZINC000396822193 357484897 /nfs/dbraw/zinc/48/48/97/357484897.db2.gz CMROZPUUGLZAST-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000230891855 357577203 /nfs/dbraw/zinc/57/72/03/357577203.db2.gz ZOBBQSOGYPAUPD-GFCCVEGCSA-N 2 1 239.363 1.578 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)O1 ZINC000188551706 357561929 /nfs/dbraw/zinc/56/19/29/357561929.db2.gz OAHFDQYZKPKABD-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)O1 ZINC000188551706 357561932 /nfs/dbraw/zinc/56/19/32/357561932.db2.gz OAHFDQYZKPKABD-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)O1 ZINC000188551706 357561933 /nfs/dbraw/zinc/56/19/33/357561933.db2.gz OAHFDQYZKPKABD-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](OC)C2)CC1 ZINC000231691269 357621933 /nfs/dbraw/zinc/62/19/33/357621933.db2.gz ZVYYVTSOFLGDHS-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CCN1C ZINC000230941141 357582225 /nfs/dbraw/zinc/58/22/25/357582225.db2.gz AWLILJZXUBHZOP-GWCFXTLKSA-N 2 1 237.322 1.793 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+]C(C)(C)CCO ZINC000230976722 357586440 /nfs/dbraw/zinc/58/64/40/357586440.db2.gz VZNQWCFMLPTXFD-UHFFFAOYSA-N 2 1 202.342 1.125 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361152634 538868500 /nfs/dbraw/zinc/86/85/00/538868500.db2.gz JZFIPTHVXPAWAR-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@]1(O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189067109 357602903 /nfs/dbraw/zinc/60/29/03/357602903.db2.gz RSRORWWPBKZCAA-CYBMUJFWSA-N 2 1 226.364 1.319 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232566666 357671343 /nfs/dbraw/zinc/67/13/43/357671343.db2.gz ITJMLIDMHSMKBN-ZDUSSCGKSA-N 2 1 228.380 1.720 20 0 BDADMP CCC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000190281891 357698733 /nfs/dbraw/zinc/69/87/33/357698733.db2.gz JOCNDCAYFLDTPY-TZMCWYRMSA-N 2 1 238.375 1.772 20 0 BDADMP CCC(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000190281891 357698737 /nfs/dbraw/zinc/69/87/37/357698737.db2.gz JOCNDCAYFLDTPY-TZMCWYRMSA-N 2 1 238.375 1.772 20 0 BDADMP CCC(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000190281891 357698738 /nfs/dbraw/zinc/69/87/38/357698738.db2.gz JOCNDCAYFLDTPY-TZMCWYRMSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1CO ZINC000190899719 357737071 /nfs/dbraw/zinc/73/70/71/357737071.db2.gz WYAHLRMOTRRBFA-KGLIPLIRSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+](C)C1(C[NH2+]C2CCC(O)CC2)CCCC1 ZINC000234253368 357788715 /nfs/dbraw/zinc/78/87/15/357788715.db2.gz CMWMSFINUOHGKH-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086110772 357853540 /nfs/dbraw/zinc/85/35/40/357853540.db2.gz FWOSHMUSRZCNPQ-PELKAZGASA-N 2 1 223.320 1.461 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086110772 357853541 /nfs/dbraw/zinc/85/35/41/357853541.db2.gz FWOSHMUSRZCNPQ-PELKAZGASA-N 2 1 223.320 1.461 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416865 357860342 /nfs/dbraw/zinc/86/03/42/357860342.db2.gz KDSANHGEKWJESO-YNEHKIRRSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192499114 357835710 /nfs/dbraw/zinc/83/57/10/357835710.db2.gz PTBSYXJZTINQMW-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]CC1(C)CC1 ZINC000379961596 357925242 /nfs/dbraw/zinc/92/52/42/357925242.db2.gz XDMDOMKNDJSEQV-UHFFFAOYSA-N 2 1 214.353 1.344 20 0 BDADMP C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000217595545 134248461 /nfs/dbraw/zinc/24/84/61/134248461.db2.gz PHDPZPNPMHNUOS-BZPMIXESSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000217595545 134248462 /nfs/dbraw/zinc/24/84/62/134248462.db2.gz PHDPZPNPMHNUOS-BZPMIXESSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000217897698 134250732 /nfs/dbraw/zinc/25/07/32/134250732.db2.gz DRIPTIKHSQPKGF-YNEHKIRRSA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)[C@H]1CN(C[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000640141121 358232218 /nfs/dbraw/zinc/23/22/18/358232218.db2.gz YHYLBFCTECAFOD-ZIAGYGMSSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000640141121 358232221 /nfs/dbraw/zinc/23/22/21/358232221.db2.gz YHYLBFCTECAFOD-ZIAGYGMSSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000640141121 358232223 /nfs/dbraw/zinc/23/22/23/358232223.db2.gz YHYLBFCTECAFOD-ZIAGYGMSSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+](C)CC2)C1 ZINC000040620890 358243390 /nfs/dbraw/zinc/24/33/90/358243390.db2.gz ZCZYSDZVIFKTOH-ZDUSSCGKSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000040620890 358243392 /nfs/dbraw/zinc/24/33/92/358243392.db2.gz ZCZYSDZVIFKTOH-ZDUSSCGKSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000040620890 358243396 /nfs/dbraw/zinc/24/33/96/358243396.db2.gz ZCZYSDZVIFKTOH-ZDUSSCGKSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000226880787 358346811 /nfs/dbraw/zinc/34/68/11/358346811.db2.gz QRSYMGPKKGUWMO-PSASIEDQSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000226880787 358346814 /nfs/dbraw/zinc/34/68/14/358346814.db2.gz QRSYMGPKKGUWMO-PSASIEDQSA-N 2 1 225.361 1.763 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCOCC1 ZINC000129924188 358601680 /nfs/dbraw/zinc/60/16/80/358601680.db2.gz SOCVWICKNNQHHR-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)CCOCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000049267759 358678563 /nfs/dbraw/zinc/67/85/63/358678563.db2.gz PLXMORCXHOXBCQ-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000133294000 358749920 /nfs/dbraw/zinc/74/99/20/358749920.db2.gz NAJIRSLXDSJTAR-UTUOFQBUSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000133294000 358749922 /nfs/dbraw/zinc/74/99/22/358749922.db2.gz NAJIRSLXDSJTAR-UTUOFQBUSA-N 2 1 225.380 1.151 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CO)C1 ZINC000051887362 358765250 /nfs/dbraw/zinc/76/52/50/358765250.db2.gz AFBUHSODFOFKFZ-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](CO)C1 ZINC000051887362 358765252 /nfs/dbraw/zinc/76/52/52/358765252.db2.gz AFBUHSODFOFKFZ-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](CO)C1 ZINC000051887362 358765255 /nfs/dbraw/zinc/76/52/55/358765255.db2.gz AFBUHSODFOFKFZ-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP COC(=O)CCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000050065078 358711694 /nfs/dbraw/zinc/71/16/94/358711694.db2.gz XIGLMZMSDQXGNE-UHFFFAOYSA-N 2 1 242.363 1.357 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000219684611 134289390 /nfs/dbraw/zinc/28/93/90/134289390.db2.gz DCNNKDRYHHZHSO-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000132374461 358720590 /nfs/dbraw/zinc/72/05/90/358720590.db2.gz OOMSTKVRJUOSMP-TUAOUCFPSA-N 2 1 226.364 1.484 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000050248092 358721835 /nfs/dbraw/zinc/72/18/35/358721835.db2.gz GALNRGZILARTED-CYBMUJFWSA-N 2 1 234.343 1.736 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000578338031 366527901 /nfs/dbraw/zinc/52/79/01/366527901.db2.gz ZQMQISAPNDTFBR-XQQFMLRXSA-N 3 1 225.380 1.236 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432512 358943401 /nfs/dbraw/zinc/94/34/01/358943401.db2.gz VUACWTPHYDPQHS-QWHCGFSZSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCSC2)CC1(C)C ZINC000623432732 358946196 /nfs/dbraw/zinc/94/61/96/358946196.db2.gz HZPDDPQXSUUNPD-MNOVXSKESA-N 2 1 228.405 1.954 20 0 BDADMP OCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246456436 359099311 /nfs/dbraw/zinc/09/93/11/359099311.db2.gz FEQFXSJEBYBJMS-GXTWGEPZSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246456436 359099315 /nfs/dbraw/zinc/09/93/15/359099315.db2.gz FEQFXSJEBYBJMS-GXTWGEPZSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246456436 359099317 /nfs/dbraw/zinc/09/93/17/359099317.db2.gz FEQFXSJEBYBJMS-GXTWGEPZSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246456436 359099323 /nfs/dbraw/zinc/09/93/23/359099323.db2.gz FEQFXSJEBYBJMS-GXTWGEPZSA-N 2 1 238.375 1.318 20 0 BDADMP Cc1c[nH+]ccc1NC[C@H]1C[N@H+](C)CCN1C ZINC000070489700 359057409 /nfs/dbraw/zinc/05/74/09/359057409.db2.gz OSXSRSPJZOTQFX-LBPRGKRZSA-N 2 1 234.347 1.048 20 0 BDADMP Cc1c[nH+]ccc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000070489700 359057421 /nfs/dbraw/zinc/05/74/21/359057421.db2.gz OSXSRSPJZOTQFX-LBPRGKRZSA-N 2 1 234.347 1.048 20 0 BDADMP Cc1c[nH+]ccc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000070489700 359057425 /nfs/dbraw/zinc/05/74/25/359057425.db2.gz OSXSRSPJZOTQFX-LBPRGKRZSA-N 2 1 234.347 1.048 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246567738 359147484 /nfs/dbraw/zinc/14/74/84/359147484.db2.gz XSDMVWLOTYMMDP-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP CCOCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247942592 359249599 /nfs/dbraw/zinc/24/95/99/359249599.db2.gz DDQLUMBYAJTCLI-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247942592 359249603 /nfs/dbraw/zinc/24/96/03/359249603.db2.gz DDQLUMBYAJTCLI-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247942592 359249607 /nfs/dbraw/zinc/24/96/07/359249607.db2.gz DDQLUMBYAJTCLI-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCO1 ZINC000247338160 359213593 /nfs/dbraw/zinc/21/35/93/359213593.db2.gz FXQZOKPVTZUWGO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCO1 ZINC000247338160 359213597 /nfs/dbraw/zinc/21/35/97/359213597.db2.gz FXQZOKPVTZUWGO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000247338160 359213601 /nfs/dbraw/zinc/21/36/01/359213601.db2.gz FXQZOKPVTZUWGO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCO1 ZINC000247338160 359213609 /nfs/dbraw/zinc/21/36/09/359213609.db2.gz FXQZOKPVTZUWGO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000248169035 359258070 /nfs/dbraw/zinc/25/80/70/359258070.db2.gz UJLSIAXTIPBZTK-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000248169035 359258071 /nfs/dbraw/zinc/25/80/71/359258071.db2.gz UJLSIAXTIPBZTK-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000248169035 359258076 /nfs/dbraw/zinc/25/80/76/359258076.db2.gz UJLSIAXTIPBZTK-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP CC[C@@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623443757 359333990 /nfs/dbraw/zinc/33/39/90/359333990.db2.gz MDVHRWZLSKBJBZ-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP Cc1c[nH+]ccc1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000450796943 202268867 /nfs/dbraw/zinc/26/88/67/202268867.db2.gz RPPRHLLDORNXCZ-BETUJISGSA-N 2 1 249.358 1.281 20 0 BDADMP Cn1ccnc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578443144 366569708 /nfs/dbraw/zinc/56/97/08/366569708.db2.gz XSOZUSGYALZIDP-UHFFFAOYSA-N 2 1 230.315 1.169 20 0 BDADMP C[C@@H]1CN(CCCc2cncn2C)CCO1 ZINC000578451209 366572377 /nfs/dbraw/zinc/57/23/77/366572377.db2.gz YUCFSIAIKROVJY-LLVKDONJSA-N 2 1 223.320 1.073 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C[C@H](C)O1 ZINC000578723024 366631204 /nfs/dbraw/zinc/63/12/04/366631204.db2.gz WLNAHEQUKJWHOE-ZMJPVWNMSA-N 2 1 240.391 1.872 20 0 BDADMP CN(C)C1CC([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000578766114 366644074 /nfs/dbraw/zinc/64/40/74/366644074.db2.gz XFVOSBNVUMSSLT-UHFFFAOYSA-N 2 1 244.342 1.745 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC(C)(C)C1 ZINC000578875270 366664400 /nfs/dbraw/zinc/66/44/00/366664400.db2.gz MXSDPKGXEJEGDB-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000578880550 366665698 /nfs/dbraw/zinc/66/56/98/366665698.db2.gz HIKOODPGHKDNSQ-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP CC[N@@H+](Cc1ccccc1)C[C@@](C)(O)C[NH2+]C ZINC000578899384 366671270 /nfs/dbraw/zinc/67/12/70/366671270.db2.gz SZLGGSZSGDRPDD-AWEZNQCLSA-N 2 1 236.359 1.479 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662446 360121812 /nfs/dbraw/zinc/12/18/12/360121812.db2.gz UTXWBWGSZFAQSM-MJBXVCDLSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662446 360121817 /nfs/dbraw/zinc/12/18/17/360121817.db2.gz UTXWBWGSZFAQSM-MJBXVCDLSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000091662206 360122263 /nfs/dbraw/zinc/12/22/63/360122263.db2.gz DKUVEQLLGKRZQL-RDBSUJKOSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000091662206 360122268 /nfs/dbraw/zinc/12/22/68/360122268.db2.gz DKUVEQLLGKRZQL-RDBSUJKOSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](C)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000093074871 360215170 /nfs/dbraw/zinc/21/51/70/360215170.db2.gz DVXYWQZCEJVORA-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093462341 360245776 /nfs/dbraw/zinc/24/57/76/360245776.db2.gz JCCLTYNJEBSOLX-KBPBESRZSA-N 3 1 241.423 1.839 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000629509251 361103570 /nfs/dbraw/zinc/10/35/70/361103570.db2.gz KHIHNOGYLGOYJE-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000629509251 361103573 /nfs/dbraw/zinc/10/35/73/361103573.db2.gz KHIHNOGYLGOYJE-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629512106 361105826 /nfs/dbraw/zinc/10/58/26/361105826.db2.gz ALCOHNMKHTXNPE-SYQHCUMBSA-N 2 1 249.402 1.249 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccnc2N)C1 ZINC000629510433 361108976 /nfs/dbraw/zinc/10/89/76/361108976.db2.gz UEUMJKRISWOYFG-QWRGUYRKSA-N 2 1 234.347 1.223 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000629510433 361108978 /nfs/dbraw/zinc/10/89/78/361108978.db2.gz UEUMJKRISWOYFG-QWRGUYRKSA-N 2 1 234.347 1.223 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](COC)C(C)C ZINC000629526231 361128402 /nfs/dbraw/zinc/12/84/02/361128402.db2.gz NXDAIAOCZOZHHZ-TUAOUCFPSA-N 2 1 214.353 1.388 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000629527128 361129267 /nfs/dbraw/zinc/12/92/67/361129267.db2.gz KUYQIXLLAZNLSE-YFKTTZPYSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@H]1CCCO1 ZINC000629527127 361129341 /nfs/dbraw/zinc/12/93/41/361129341.db2.gz KUYQIXLLAZNLSE-WRWGMCAJSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000629528166 361132992 /nfs/dbraw/zinc/13/29/92/361132992.db2.gz QZRDXIKTXBVWHA-YBXAARCKSA-N 2 1 212.337 1.282 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccoc1 ZINC000629527836 361134361 /nfs/dbraw/zinc/13/43/61/361134361.db2.gz HMFLFXZNHTZMEV-KGYLQXTDSA-N 2 1 222.332 1.941 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C1(C)C ZINC000629526304 361127670 /nfs/dbraw/zinc/12/76/70/361127670.db2.gz PHZOTCWSCRLMLC-UMSGYPCISA-N 2 1 240.391 1.920 20 0 BDADMP COCCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000158708085 361210027 /nfs/dbraw/zinc/21/00/27/361210027.db2.gz YMLZEYJKBHTYDD-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309788777 491156618 /nfs/dbraw/zinc/15/66/18/491156618.db2.gz UADMZBDWYQCBMQ-NSHDSACASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000162868597 361368823 /nfs/dbraw/zinc/36/88/23/361368823.db2.gz BHQYLRYRRSOQRP-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000191824272 361370318 /nfs/dbraw/zinc/37/03/18/361370318.db2.gz XHESZVVKEPGWCP-CMPLNLGQSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000429169990 201076108 /nfs/dbraw/zinc/07/61/08/201076108.db2.gz VYYGIJIFEWIBHJ-AVGNSLFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1C[C@@H](O)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000429169990 201076111 /nfs/dbraw/zinc/07/61/11/201076111.db2.gz VYYGIJIFEWIBHJ-AVGNSLFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1C[C@@H](O)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000429169990 201076114 /nfs/dbraw/zinc/07/61/14/201076114.db2.gz VYYGIJIFEWIBHJ-AVGNSLFASA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000429528676 201112623 /nfs/dbraw/zinc/11/26/23/201112623.db2.gz NFCIRHWZMNOEOZ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629536513 361399651 /nfs/dbraw/zinc/39/96/51/361399651.db2.gz GOJMAODWALUSOB-XQQFMLRXSA-N 2 1 228.380 1.778 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629536602 361400029 /nfs/dbraw/zinc/40/00/29/361400029.db2.gz GXORDDOVJPQRLG-RWMBFGLXSA-N 2 1 228.380 1.922 20 0 BDADMP Cc1nc([C@@H](C)[NH2+]CCOCCC[NH3+])cs1 ZINC000629537826 361401320 /nfs/dbraw/zinc/40/13/20/361401320.db2.gz LDJXXEKBUNPMPU-SECBINFHSA-N 2 1 243.376 1.468 20 0 BDADMP CCO[C@H](C[N@@H+](C)CCC[NH2+]C)C1CC1 ZINC000629540704 361415191 /nfs/dbraw/zinc/41/51/91/361415191.db2.gz SNBQDXBQJXBJLB-GFCCVEGCSA-N 2 1 214.353 1.343 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629544716 361423189 /nfs/dbraw/zinc/42/31/89/361423189.db2.gz LYULJVVGRUQFDI-QNWHQSFQSA-N 2 1 240.391 1.919 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000629547613 361431332 /nfs/dbraw/zinc/43/13/32/361431332.db2.gz LDPPJBZWODSUJB-FTYKPCCVSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000629547622 361431887 /nfs/dbraw/zinc/43/18/87/361431887.db2.gz LDPPJBZWODSUJB-SYEHKZFSSA-N 2 1 224.348 1.284 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553452 361438658 /nfs/dbraw/zinc/43/86/58/361438658.db2.gz PYVMAUMXSXSQDZ-GRYCIOLGSA-N 2 1 226.364 1.532 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629551810 361444626 /nfs/dbraw/zinc/44/46/26/361444626.db2.gz XSHMJWSYGFSMPP-TUKIKUTGSA-N 2 1 245.370 1.815 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000629570194 361459572 /nfs/dbraw/zinc/45/95/72/361459572.db2.gz JGWIQPANORXSOW-GFCCVEGCSA-N 2 1 237.347 1.310 20 0 BDADMP CCC(C)(C)CC[N@@H+](C)CCOCC[NH2+]C ZINC000629571463 361462880 /nfs/dbraw/zinc/46/28/80/361462880.db2.gz MQKNLAFTBDTONE-UHFFFAOYSA-N 2 1 230.396 1.981 20 0 BDADMP Oc1cccc2c1CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000629581801 361472916 /nfs/dbraw/zinc/47/29/16/361472916.db2.gz GYJAUXYBMJOWIW-LLVKDONJSA-N 2 1 232.327 1.360 20 0 BDADMP Oc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000629581801 361472922 /nfs/dbraw/zinc/47/29/22/361472922.db2.gz GYJAUXYBMJOWIW-LLVKDONJSA-N 2 1 232.327 1.360 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000430946580 201160324 /nfs/dbraw/zinc/16/03/24/201160324.db2.gz BABPRXMFTPSPAA-CQSZACIVSA-N 2 1 247.386 1.664 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000629592442 361485315 /nfs/dbraw/zinc/48/53/15/361485315.db2.gz CYYMVRPHGZWKIE-CUZDEVPKSA-N 2 1 234.387 1.964 20 0 BDADMP C/C=C\C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629602374 361492222 /nfs/dbraw/zinc/49/22/22/361492222.db2.gz CXBJLSKYZQTZBD-ABCZVMIZSA-N 2 1 248.370 1.645 20 0 BDADMP C/C=C\C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000629602374 361492225 /nfs/dbraw/zinc/49/22/25/361492225.db2.gz CXBJLSKYZQTZBD-ABCZVMIZSA-N 2 1 248.370 1.645 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1sccc1OC ZINC000163317081 361452949 /nfs/dbraw/zinc/45/29/49/361452949.db2.gz XMWZTYMKZFQWPD-UHFFFAOYSA-N 2 1 214.334 1.456 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629647551 361537488 /nfs/dbraw/zinc/53/74/88/361537488.db2.gz ZEPWVRTZKWQOJP-JQWIXIFHSA-N 2 1 207.321 1.194 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648047 361539556 /nfs/dbraw/zinc/53/95/56/361539556.db2.gz FUJGJEJVFDBJBB-BZPMIXESSA-N 2 1 235.375 1.830 20 0 BDADMP COCc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)o1 ZINC000629649544 361544763 /nfs/dbraw/zinc/54/47/63/361544763.db2.gz VOXUSZQBNPOHPZ-NSHDSACASA-N 2 1 238.331 1.658 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]C1 ZINC000629661857 361594875 /nfs/dbraw/zinc/59/48/75/361594875.db2.gz CYIKFPXLPXGARP-MELADBBJSA-N 2 1 238.375 1.080 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C1(C)CC1 ZINC000153779042 201249253 /nfs/dbraw/zinc/24/92/53/201249253.db2.gz JHXHUMXPLZSQFE-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH+]1C ZINC000154566606 201282980 /nfs/dbraw/zinc/28/29/80/201282980.db2.gz DSRUCNLBJNKYHG-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000154566606 201282983 /nfs/dbraw/zinc/28/29/83/201282983.db2.gz DSRUCNLBJNKYHG-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000154566606 201282986 /nfs/dbraw/zinc/28/29/86/201282986.db2.gz DSRUCNLBJNKYHG-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000154566606 201282990 /nfs/dbraw/zinc/28/29/90/201282990.db2.gz DSRUCNLBJNKYHG-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000154566606 201282994 /nfs/dbraw/zinc/28/29/94/201282994.db2.gz DSRUCNLBJNKYHG-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000154705382 201289986 /nfs/dbraw/zinc/28/99/86/201289986.db2.gz KTTQTXHRPKUWGJ-UHFFFAOYSA-N 2 1 236.363 1.194 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCN(C)c2ccccc2C1 ZINC000435869689 201290709 /nfs/dbraw/zinc/29/07/09/201290709.db2.gz CQIHPLVXESHBTD-UHFFFAOYSA-N 2 1 233.359 1.548 20 0 BDADMP C[NH2+]CCC[N@H+]1CCN(C)c2ccccc2C1 ZINC000435869689 201290713 /nfs/dbraw/zinc/29/07/13/201290713.db2.gz CQIHPLVXESHBTD-UHFFFAOYSA-N 2 1 233.359 1.548 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000435882044 201296188 /nfs/dbraw/zinc/29/61/88/201296188.db2.gz DCYQYELPPABLKZ-ZDUSSCGKSA-N 2 1 248.374 1.425 20 0 BDADMP C[NH2+]CCCN1CC[N@@H+](C)CC12CCCCC2 ZINC000435881988 201296341 /nfs/dbraw/zinc/29/63/41/201296341.db2.gz CVWCGMABJHGXIW-UHFFFAOYSA-N 2 1 239.407 1.546 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000435878605 201293536 /nfs/dbraw/zinc/29/35/36/201293536.db2.gz DIUGLDWTJSAFJI-LLVKDONJSA-N 2 1 238.335 1.167 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000435878605 201293539 /nfs/dbraw/zinc/29/35/39/201293539.db2.gz DIUGLDWTJSAFJI-LLVKDONJSA-N 2 1 238.335 1.167 20 0 BDADMP [NH3+]C1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000011729521 181344682 /nfs/dbraw/zinc/34/46/82/181344682.db2.gz BAGSQTCSSLOBRJ-CYBMUJFWSA-N 2 1 238.306 1.282 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000437782783 201371863 /nfs/dbraw/zinc/37/18/63/201371863.db2.gz HCGJOALJKUHSFE-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(C)[nH+]1 ZINC000090795361 363882438 /nfs/dbraw/zinc/88/24/38/363882438.db2.gz KVWITQRRDQIXAV-PWSUYJOCSA-N 2 1 234.347 1.988 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(C)[nH+]1 ZINC000090795361 363882440 /nfs/dbraw/zinc/88/24/40/363882440.db2.gz KVWITQRRDQIXAV-PWSUYJOCSA-N 2 1 234.347 1.988 20 0 BDADMP CC[NH+](CC)Cc1cn(CCC[NH+](C)C)nn1 ZINC000630584721 364290851 /nfs/dbraw/zinc/29/08/51/364290851.db2.gz ACFFGKYRQLBNBR-UHFFFAOYSA-N 2 1 239.367 1.072 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCOC1 ZINC000398976430 364401465 /nfs/dbraw/zinc/40/14/65/364401465.db2.gz CYZPNRXIIJAHMT-LPWJVIDDSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCOC1 ZINC000398976432 364401710 /nfs/dbraw/zinc/40/17/10/364401710.db2.gz CYZPNRXIIJAHMT-VOAKCMCISA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248144369 364627208 /nfs/dbraw/zinc/62/72/08/364627208.db2.gz PXYPDKUOEUJQEL-IJLUTSLNSA-N 2 1 214.353 1.076 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[C@@H](C)NC2)CCCC1 ZINC000399072724 364781147 /nfs/dbraw/zinc/78/11/47/364781147.db2.gz OJMGZNQCWFRERR-VXGBXAGGSA-N 2 1 226.364 1.676 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCCC1 ZINC000399072724 364781152 /nfs/dbraw/zinc/78/11/52/364781152.db2.gz OJMGZNQCWFRERR-VXGBXAGGSA-N 2 1 226.364 1.676 20 0 BDADMP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000336897532 364849641 /nfs/dbraw/zinc/84/96/41/364849641.db2.gz PJDQGUBOSYMZLD-YPMHNXCESA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000328518995 364863595 /nfs/dbraw/zinc/86/35/95/364863595.db2.gz QUWOFLBYMHDDDO-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000328518995 364863600 /nfs/dbraw/zinc/86/36/00/364863600.db2.gz QUWOFLBYMHDDDO-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000069721193 541386135 /nfs/dbraw/zinc/38/61/35/541386135.db2.gz XAENICCMVYFVMI-SNVBAGLBSA-N 2 1 209.293 1.378 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccno1 ZINC000069721193 541386140 /nfs/dbraw/zinc/38/61/40/541386140.db2.gz XAENICCMVYFVMI-SNVBAGLBSA-N 2 1 209.293 1.378 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCCO1 ZINC000335011688 541419175 /nfs/dbraw/zinc/41/91/75/541419175.db2.gz XDYGYCZRKIBIQC-KBPBESRZSA-N 2 1 238.375 1.631 20 0 BDADMP [NH3+]CCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000082790894 181381488 /nfs/dbraw/zinc/38/14/88/181381488.db2.gz GLUNAGUBVOMHIW-UHFFFAOYSA-N 2 1 208.280 1.533 20 0 BDADMP [NH3+]CCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000082790894 181381490 /nfs/dbraw/zinc/38/14/90/181381490.db2.gz GLUNAGUBVOMHIW-UHFFFAOYSA-N 2 1 208.280 1.533 20 0 BDADMP CC[NH2+]CCCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000574440885 365061906 /nfs/dbraw/zinc/06/19/06/365061906.db2.gz PLLZPFDOANPWRD-NEPJUHHUSA-N 2 1 225.380 1.201 20 0 BDADMP CC1CC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000442889188 193000935 /nfs/dbraw/zinc/00/09/35/193000935.db2.gz JIUVVFLPIRJVSW-UHFFFAOYSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442926513 193004957 /nfs/dbraw/zinc/00/49/57/193004957.db2.gz YVHLPOMWIGACKV-NSHDSACASA-N 2 1 222.336 1.279 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442926513 193004959 /nfs/dbraw/zinc/00/49/59/193004959.db2.gz YVHLPOMWIGACKV-NSHDSACASA-N 2 1 222.336 1.279 20 0 BDADMP CC[C@@H](C)[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000443002577 193010243 /nfs/dbraw/zinc/01/02/43/193010243.db2.gz PHUZDZUKWORACX-RKDXNWHRSA-N 2 1 238.335 1.844 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@H]2CCCC[C@H]12 ZINC000574811300 365149036 /nfs/dbraw/zinc/14/90/36/365149036.db2.gz GXXSCERLXBWQHL-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccnn1C ZINC000192250961 365303602 /nfs/dbraw/zinc/30/36/02/365303602.db2.gz LQOZKRHEKXSACH-VXGBXAGGSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccnn1C ZINC000192250961 365303606 /nfs/dbraw/zinc/30/36/06/365303606.db2.gz LQOZKRHEKXSACH-VXGBXAGGSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccnn1C ZINC000192250956 365303746 /nfs/dbraw/zinc/30/37/46/365303746.db2.gz LQOZKRHEKXSACH-NWDGAFQWSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccnn1C ZINC000192250956 365303750 /nfs/dbraw/zinc/30/37/50/365303750.db2.gz LQOZKRHEKXSACH-NWDGAFQWSA-N 2 1 236.363 1.413 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000575762613 365358095 /nfs/dbraw/zinc/35/80/95/365358095.db2.gz ZRJNZAJCCZVNLR-QWRGUYRKSA-N 2 1 235.331 1.912 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CCOCC1 ZINC000399085055 365428167 /nfs/dbraw/zinc/42/81/67/365428167.db2.gz UGFOWHXWKPRJCR-NTZNESFSSA-N 2 1 226.364 1.532 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000360242557 366918482 /nfs/dbraw/zinc/91/84/82/366918482.db2.gz PIEQDAZPTBSEOY-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000360242557 366918483 /nfs/dbraw/zinc/91/84/83/366918483.db2.gz PIEQDAZPTBSEOY-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000360242557 366918485 /nfs/dbraw/zinc/91/84/85/366918485.db2.gz PIEQDAZPTBSEOY-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000360242557 366918486 /nfs/dbraw/zinc/91/84/86/366918486.db2.gz PIEQDAZPTBSEOY-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000183178164 366988020 /nfs/dbraw/zinc/98/80/20/366988020.db2.gz QIKCYCSRBQVHOP-CYBMUJFWSA-N 2 1 237.347 1.632 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887643 370850233 /nfs/dbraw/zinc/85/02/33/370850233.db2.gz SUFVXAZAYJQVNX-JSGCOSHPSA-N 2 1 249.358 1.865 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887643 370850236 /nfs/dbraw/zinc/85/02/36/370850236.db2.gz SUFVXAZAYJQVNX-JSGCOSHPSA-N 2 1 249.358 1.865 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2(F)CC2)C1 ZINC000580938171 367210842 /nfs/dbraw/zinc/21/08/42/367210842.db2.gz WOJZYBHOZWQYQO-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP c1cc2c(nc[nH+]c2NCC[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000581122456 367268113 /nfs/dbraw/zinc/26/81/13/367268113.db2.gz PFRMFHRVHVFCTG-JTQLQIEISA-N 2 1 245.330 1.711 20 0 BDADMP C[C@@H]1[C@@H](C)CC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000380662473 367270084 /nfs/dbraw/zinc/27/00/84/367270084.db2.gz AYEBBCHGTBDBJV-DTWKUNHWSA-N 2 1 238.335 1.494 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132217 367272151 /nfs/dbraw/zinc/27/21/51/367272151.db2.gz DGGZHVPVMOWURG-WFASDCNBSA-N 3 1 247.386 1.575 20 0 BDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000581132217 367272157 /nfs/dbraw/zinc/27/21/57/367272157.db2.gz DGGZHVPVMOWURG-WFASDCNBSA-N 2 1 247.386 1.575 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000380582971 367246831 /nfs/dbraw/zinc/24/68/31/367246831.db2.gz YFPRKHLIUSXLMD-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000381714341 367450744 /nfs/dbraw/zinc/45/07/44/367450744.db2.gz KUZNSFLEVBFAAE-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCC1 ZINC000382771689 367554701 /nfs/dbraw/zinc/55/47/01/367554701.db2.gz LZDAGZOCGUKSNV-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000581489207 367519314 /nfs/dbraw/zinc/51/93/14/367519314.db2.gz PJBQJACLSLIDAG-RWMBFGLXSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)C1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000383787857 367652869 /nfs/dbraw/zinc/65/28/69/367652869.db2.gz QMJMHHVZWJISQZ-CYBMUJFWSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)C1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000383787857 367652871 /nfs/dbraw/zinc/65/28/71/367652871.db2.gz QMJMHHVZWJISQZ-CYBMUJFWSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000384806611 367735265 /nfs/dbraw/zinc/73/52/65/367735265.db2.gz ZRTZJYLSAFBIGC-TUAOUCFPSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000384806611 367735269 /nfs/dbraw/zinc/73/52/69/367735269.db2.gz ZRTZJYLSAFBIGC-TUAOUCFPSA-N 2 1 228.380 1.466 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000384910887 367755974 /nfs/dbraw/zinc/75/59/74/367755974.db2.gz BVIJSEVGJPSDRB-FZMZJTMJSA-N 2 1 233.359 1.807 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000581713696 367765416 /nfs/dbraw/zinc/76/54/16/367765416.db2.gz KOLOXKGSFHVKOM-LBPRGKRZSA-N 2 1 205.305 1.567 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)O1 ZINC000385224285 367810787 /nfs/dbraw/zinc/81/07/87/367810787.db2.gz SXHNDPGLPRQNQY-KSTCHIGDSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](C)O1 ZINC000385098823 367791115 /nfs/dbraw/zinc/79/11/15/367791115.db2.gz HHWORCLBQKTIBX-XHJNMGKDSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](C)O1 ZINC000385098823 367791122 /nfs/dbraw/zinc/79/11/22/367791122.db2.gz HHWORCLBQKTIBX-XHJNMGKDSA-N 2 1 238.375 1.769 20 0 BDADMP CC(=O)Nc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000385196847 367808097 /nfs/dbraw/zinc/80/80/97/367808097.db2.gz PFAHDPYDVZMNAQ-UHFFFAOYSA-N 2 1 247.342 1.567 20 0 BDADMP CC[N@@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386575483 367994028 /nfs/dbraw/zinc/99/40/28/367994028.db2.gz NBHLPOKCNABZMG-NWDGAFQWSA-N 2 1 213.369 1.058 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386483530 367980329 /nfs/dbraw/zinc/98/03/29/367980329.db2.gz SNGPCMRPTCYFTE-UONOGXRCSA-N 2 1 241.423 1.839 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386696304 368011187 /nfs/dbraw/zinc/01/11/87/368011187.db2.gz OXVGPGCPZNJILJ-UPJWGTAASA-N 2 1 246.358 1.469 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000252948632 368170066 /nfs/dbraw/zinc/17/00/66/368170066.db2.gz NSJDHYNXWSGIPZ-YNEHKIRRSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404009 368880337 /nfs/dbraw/zinc/88/03/37/368880337.db2.gz FVRSWMCZNYKKQA-NWDGAFQWSA-N 2 1 213.369 1.186 20 0 BDADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404009 368880338 /nfs/dbraw/zinc/88/03/38/368880338.db2.gz FVRSWMCZNYKKQA-NWDGAFQWSA-N 2 1 213.369 1.186 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC000087459898 368894299 /nfs/dbraw/zinc/89/42/99/368894299.db2.gz JRPGWWYFXCTSPY-OLZOCXBDSA-N 2 1 238.375 1.508 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000087459898 368894304 /nfs/dbraw/zinc/89/43/04/368894304.db2.gz JRPGWWYFXCTSPY-OLZOCXBDSA-N 2 1 238.375 1.508 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccc(OC)nc2)CC[C@H]1[NH3+] ZINC000253268631 368907167 /nfs/dbraw/zinc/90/71/67/368907167.db2.gz ZABYCWOVNXUDTG-QWHCGFSZSA-N 2 1 249.358 1.649 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)nc2)CC[C@H]1[NH3+] ZINC000253268631 368907171 /nfs/dbraw/zinc/90/71/71/368907171.db2.gz ZABYCWOVNXUDTG-QWHCGFSZSA-N 2 1 249.358 1.649 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623809064 368957034 /nfs/dbraw/zinc/95/70/34/368957034.db2.gz OVAPKNITDVITSQ-IJLUTSLNSA-N 2 1 226.364 1.626 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657115 368997276 /nfs/dbraw/zinc/99/72/76/368997276.db2.gz KBCYJHZTEHMYSH-CYBMUJFWSA-N 2 1 242.407 1.981 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@H](C)O1 ZINC000623657134 368998138 /nfs/dbraw/zinc/99/81/38/368998138.db2.gz KIPXFXNWIXXATD-RFGFWPKPSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000631823814 368985980 /nfs/dbraw/zinc/98/59/80/368985980.db2.gz OJNSLMQIONPSEE-YNEHKIRRSA-N 2 1 246.358 1.344 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC2)C1 ZINC000623655773 368991865 /nfs/dbraw/zinc/99/18/65/368991865.db2.gz FCVCHOGWKOABFT-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CN(CCc1c[nH+]cn1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000459343118 203260383 /nfs/dbraw/zinc/26/03/83/203260383.db2.gz LJPSRDXQBSAXOC-AWEZNQCLSA-N 2 1 248.374 1.131 20 0 BDADMP CN(CCc1c[nH+]cn1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000459343118 203260387 /nfs/dbraw/zinc/26/03/87/203260387.db2.gz LJPSRDXQBSAXOC-AWEZNQCLSA-N 2 1 248.374 1.131 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](C)O)[C@@H](C)C1 ZINC000459382367 203270506 /nfs/dbraw/zinc/27/05/06/203270506.db2.gz SYKDGORQPBJIEC-SDDRHHMPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](C)O)[C@@H](C)C1 ZINC000459382367 203270508 /nfs/dbraw/zinc/27/05/08/203270508.db2.gz SYKDGORQPBJIEC-SDDRHHMPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](C)O)[C@@H](C)C1 ZINC000459382367 203270511 /nfs/dbraw/zinc/27/05/11/203270511.db2.gz SYKDGORQPBJIEC-SDDRHHMPSA-N 2 1 214.353 1.029 20 0 BDADMP C/C=C\C[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459522178 203295327 /nfs/dbraw/zinc/29/53/27/203295327.db2.gz HOLKBQYAIYKMJI-ZRMMWKCHSA-N 2 1 238.375 1.530 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459724939 203341994 /nfs/dbraw/zinc/34/19/94/203341994.db2.gz FJASZJHSBOYESI-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCSC2)C1 ZINC000459722417 203342317 /nfs/dbraw/zinc/34/23/17/203342317.db2.gz BHQAUPXNXXKSQU-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2=CCCOC2)C1 ZINC000459734195 203346272 /nfs/dbraw/zinc/34/62/72/203346272.db2.gz OHIGKVBDVAGSAZ-ZDUSSCGKSA-N 2 1 238.375 1.655 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000621774416 370520547 /nfs/dbraw/zinc/52/05/47/370520547.db2.gz SVERGSYBRVRYMZ-AAEUAGOBSA-N 2 1 236.363 1.115 20 0 BDADMP CCn1nccc1CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000621774012 370517002 /nfs/dbraw/zinc/51/70/02/370517002.db2.gz IJZUCPLAHSFZNP-UHFFFAOYSA-N 2 1 238.379 1.362 20 0 BDADMP CCn1nccc1CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000621774012 370517010 /nfs/dbraw/zinc/51/70/10/370517010.db2.gz IJZUCPLAHSFZNP-UHFFFAOYSA-N 2 1 238.379 1.362 20 0 BDADMP Cc1nccnc1C[N@@H+](C)CCCn1ccnc1 ZINC000621727570 370480614 /nfs/dbraw/zinc/48/06/14/370480614.db2.gz ITFPUKAUMXQRDC-UHFFFAOYSA-N 2 1 245.330 1.504 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccnc(C)c2)CC[C@@H]1[NH3+] ZINC000621775348 370522922 /nfs/dbraw/zinc/52/29/22/370522922.db2.gz MQCPAHIKBWKTGK-KGLIPLIRSA-N 2 1 233.359 1.949 20 0 BDADMP CCn1nccc1CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000621775372 370522982 /nfs/dbraw/zinc/52/29/82/370522982.db2.gz NBQWYIULHKTSBV-VXGBXAGGSA-N 2 1 236.363 1.115 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccn1 ZINC000621775796 370523187 /nfs/dbraw/zinc/52/31/87/370523187.db2.gz YYVXXWMFBUNHSI-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP CC(C)CCOCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783185 370532479 /nfs/dbraw/zinc/53/24/79/370532479.db2.gz YGCMPMDBPDFOJQ-KGLIPLIRSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783185 370532483 /nfs/dbraw/zinc/53/24/83/370532483.db2.gz YGCMPMDBPDFOJQ-KGLIPLIRSA-N 2 1 240.391 1.862 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623867092 371134283 /nfs/dbraw/zinc/13/42/83/371134283.db2.gz QQJQFOGHRXIEGW-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121318 371321800 /nfs/dbraw/zinc/32/18/00/371321800.db2.gz SZQOJTOIUDOCBT-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624257651 371443696 /nfs/dbraw/zinc/44/36/96/371443696.db2.gz LMINYBKHVJICCP-UHFFFAOYSA-N 2 1 235.331 1.361 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1cncs1 ZINC000401724541 371806573 /nfs/dbraw/zinc/80/65/73/371806573.db2.gz POOOBOCNJJTJIT-UHFFFAOYSA-N 2 1 222.317 1.209 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000163447468 371995644 /nfs/dbraw/zinc/99/56/44/371995644.db2.gz NRFDRRRMWYNWEA-AAEUAGOBSA-N 2 1 249.358 1.507 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000163447468 371995646 /nfs/dbraw/zinc/99/56/46/371995646.db2.gz NRFDRRRMWYNWEA-AAEUAGOBSA-N 2 1 249.358 1.507 20 0 BDADMP CCC[C@@H](CCO)[NH2+]C1CC[NH+](C)CC1 ZINC000631196487 372228620 /nfs/dbraw/zinc/22/86/20/372228620.db2.gz LUWTYLCYVYKWNX-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000631666638 372492529 /nfs/dbraw/zinc/49/25/29/372492529.db2.gz GNYWTRUUYMDDCO-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822909 372600552 /nfs/dbraw/zinc/60/05/52/372600552.db2.gz RPWTXTPAHAUKMR-WRWGMCAJSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631823669 372585944 /nfs/dbraw/zinc/58/59/44/372585944.db2.gz KVZDCBNOLPCBEC-IRCOFANPSA-N 2 1 212.337 1.081 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCO[C@@H]1C ZINC000631822167 372599364 /nfs/dbraw/zinc/59/93/64/372599364.db2.gz UZFHFARMNHNHIY-FRRDWIJNSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000631827263 372607177 /nfs/dbraw/zinc/60/71/77/372607177.db2.gz JTPWEHXHMFGZLU-AEJSXWLSSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000631827263 372607184 /nfs/dbraw/zinc/60/71/84/372607184.db2.gz JTPWEHXHMFGZLU-AEJSXWLSSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631827310 372607251 /nfs/dbraw/zinc/60/72/51/372607251.db2.gz LBFJTUOPEFAJSX-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631827310 372607257 /nfs/dbraw/zinc/60/72/57/372607257.db2.gz LBFJTUOPEFAJSX-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829637 372610229 /nfs/dbraw/zinc/61/02/29/372610229.db2.gz WNSIVSKVZWOFPN-MQYQWHSLSA-N 2 1 238.375 1.472 20 0 BDADMP COCC[C@H](C)[N@H+]1CCCCC[C@@H](N)C1 ZINC000631834320 372617903 /nfs/dbraw/zinc/61/79/03/372617903.db2.gz UXRUFYXZDDBHBR-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP COCC[C@H](C)N1CCCCC[C@@H]([NH3+])C1 ZINC000631834320 372617909 /nfs/dbraw/zinc/61/79/09/372617909.db2.gz UXRUFYXZDDBHBR-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP [NH3+][C@H]1CCCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000631834694 372620312 /nfs/dbraw/zinc/62/03/12/372620312.db2.gz DEXKVVSEUQDOAF-QWHCGFSZSA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000631834694 372620316 /nfs/dbraw/zinc/62/03/16/372620316.db2.gz DEXKVVSEUQDOAF-QWHCGFSZSA-N 2 1 226.364 1.759 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631837069 372627273 /nfs/dbraw/zinc/62/72/73/372627273.db2.gz MJSHGBRMLQLKPE-ZWNOBZJWSA-N 2 1 236.363 1.027 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631837126 372627860 /nfs/dbraw/zinc/62/78/60/372627860.db2.gz NCBNXNJQVQHGSW-WCQYABFASA-N 2 1 219.332 1.417 20 0 BDADMP COc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838944 372633618 /nfs/dbraw/zinc/63/36/18/372633618.db2.gz XHXREPUQNAOPIU-WCQYABFASA-N 2 1 234.343 1.722 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000631827491 372605580 /nfs/dbraw/zinc/60/55/80/372605580.db2.gz PGVRIGZIKARZFM-GARJFASQSA-N 2 1 214.353 1.374 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000631826341 372605672 /nfs/dbraw/zinc/60/56/72/372605672.db2.gz LHEAFVGYZAHRFM-RNJOBUHISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000631826341 372605675 /nfs/dbraw/zinc/60/56/75/372605675.db2.gz LHEAFVGYZAHRFM-RNJOBUHISA-N 2 1 224.348 1.095 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888315 372682329 /nfs/dbraw/zinc/68/23/29/372682329.db2.gz UZULZNPVMFFOGI-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888315 372682333 /nfs/dbraw/zinc/68/23/33/372682333.db2.gz UZULZNPVMFFOGI-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890039 372685320 /nfs/dbraw/zinc/68/53/20/372685320.db2.gz LVPBDKBUNUHVAY-ZFWWWQNUSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890039 372685322 /nfs/dbraw/zinc/68/53/22/372685322.db2.gz LVPBDKBUNUHVAY-ZFWWWQNUSA-N 2 1 245.370 1.964 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCOCC2)CCN1C ZINC000172845300 373093134 /nfs/dbraw/zinc/09/31/34/373093134.db2.gz SRBFDNSUFICKBM-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC2CCOCC2)CC[N@@H+]1C ZINC000172845300 373093137 /nfs/dbraw/zinc/09/31/37/373093137.db2.gz SRBFDNSUFICKBM-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC2CCOCC2)CC[N@H+]1C ZINC000172845300 373093143 /nfs/dbraw/zinc/09/31/43/373093143.db2.gz SRBFDNSUFICKBM-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC2CCOCC2)CC[NH+]1C ZINC000172845300 373093146 /nfs/dbraw/zinc/09/31/46/373093146.db2.gz SRBFDNSUFICKBM-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCOCC2)CC[NH+]1C ZINC000172845300 373093148 /nfs/dbraw/zinc/09/31/48/373093148.db2.gz SRBFDNSUFICKBM-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1nocc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459733389 206014032 /nfs/dbraw/zinc/01/40/32/206014032.db2.gz GNHZFIRJVLADCL-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP C[NH2+]CCN(C)c1cc[nH+]c(N2CCCCC2)n1 ZINC000420230427 206024333 /nfs/dbraw/zinc/02/43/33/206024333.db2.gz XOZVGFFQVQVQLD-UHFFFAOYSA-N 2 1 249.362 1.123 20 0 BDADMP C[C@H]([NH3+])C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000442665924 206081221 /nfs/dbraw/zinc/08/12/21/206081221.db2.gz RKIYHBPHUINVLB-WFASDCNBSA-N 2 1 248.370 1.706 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000442665924 206081225 /nfs/dbraw/zinc/08/12/25/206081225.db2.gz RKIYHBPHUINVLB-WFASDCNBSA-N 2 1 248.370 1.706 20 0 BDADMP CC(C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000167720982 206147852 /nfs/dbraw/zinc/14/78/52/206147852.db2.gz WIQWJONNCCXECK-GFCCVEGCSA-N 2 1 228.380 1.731 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000356792027 169075935 /nfs/dbraw/zinc/07/59/35/169075935.db2.gz VWQGGAKKASEBHF-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356792027 169075936 /nfs/dbraw/zinc/07/59/36/169075936.db2.gz VWQGGAKKASEBHF-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356792027 169075939 /nfs/dbraw/zinc/07/59/39/169075939.db2.gz VWQGGAKKASEBHF-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC1(C)COC1 ZINC000336676721 169126268 /nfs/dbraw/zinc/12/62/68/169126268.db2.gz BWNNINFZZJYAJD-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC1(C)COC1 ZINC000336676721 169126269 /nfs/dbraw/zinc/12/62/69/169126269.db2.gz BWNNINFZZJYAJD-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000353485822 169127232 /nfs/dbraw/zinc/12/72/32/169127232.db2.gz VHPXWIHXPOSBFE-HSBZDZAISA-N 2 1 242.407 2.000 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000353485822 169127233 /nfs/dbraw/zinc/12/72/33/169127233.db2.gz VHPXWIHXPOSBFE-HSBZDZAISA-N 2 1 242.407 2.000 20 0 BDADMP CCC[N@@H+](CCC[NH3+])C[C@H]1CCCCO1 ZINC000036230896 169156925 /nfs/dbraw/zinc/15/69/25/169156925.db2.gz SDXKAGMFKKRHPA-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CCCN(c1cc(C)[nH+]c(C)n1)[C@H]1CC[NH2+]C1 ZINC000071332741 169182880 /nfs/dbraw/zinc/18/28/80/169182880.db2.gz MDIIZNSSQOXREF-LBPRGKRZSA-N 2 1 234.347 1.672 20 0 BDADMP CCCN1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000051692901 169188277 /nfs/dbraw/zinc/18/82/77/169188277.db2.gz RPKQSZQQXFHTDL-UHFFFAOYSA-N 2 1 239.407 1.720 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000353970471 169199544 /nfs/dbraw/zinc/19/95/44/169199544.db2.gz DXTSPDXPYGOSOB-MOKVOYLWSA-N 2 1 240.391 1.754 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000353970471 169199546 /nfs/dbraw/zinc/19/95/46/169199546.db2.gz DXTSPDXPYGOSOB-MOKVOYLWSA-N 2 1 240.391 1.754 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2C)C1 ZINC000336764432 169206937 /nfs/dbraw/zinc/20/69/37/169206937.db2.gz PXSSUWJPSMANDS-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP CCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903452 169208588 /nfs/dbraw/zinc/20/85/88/169208588.db2.gz PCBSAVZBOZXDMK-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000038040785 183373249 /nfs/dbraw/zinc/37/32/49/183373249.db2.gz LUCOXEKSHDRZKV-GFCCVEGCSA-N 2 1 220.316 1.999 20 0 BDADMP C[C@@H](CO)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000222561808 134332988 /nfs/dbraw/zinc/33/29/88/134332988.db2.gz XZJQNFSKUYIUSV-LLVKDONJSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181137022 134336519 /nfs/dbraw/zinc/33/65/19/134336519.db2.gz UGUWOWOPXXZSDW-YNEHKIRRSA-N 2 1 242.407 1.856 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000261570672 535462480 /nfs/dbraw/zinc/46/24/80/535462480.db2.gz HAUUSMWCTIKERS-QWRGUYRKSA-N 2 1 222.332 1.911 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCC[NH3+] ZINC000237075544 383862478 /nfs/dbraw/zinc/86/24/78/383862478.db2.gz IADPLDAGVSEJIS-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccn1 ZINC000293836815 383870410 /nfs/dbraw/zinc/87/04/10/383870410.db2.gz WTGCVUIYSPJRIH-NWDGAFQWSA-N 2 1 221.348 1.930 20 0 BDADMP Cn1nccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000036901068 383916611 /nfs/dbraw/zinc/91/66/11/383916611.db2.gz VDBHRAVHCHBPOR-UHFFFAOYSA-N 2 1 224.352 1.098 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000313131321 383923746 /nfs/dbraw/zinc/92/37/46/383923746.db2.gz CAKGOTJRCRKNKN-NDBYEHHHSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000313131321 383923752 /nfs/dbraw/zinc/92/37/52/383923752.db2.gz CAKGOTJRCRKNKN-NDBYEHHHSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000313131320 383924647 /nfs/dbraw/zinc/92/46/47/383924647.db2.gz CAKGOTJRCRKNKN-CYDGBPFRSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000313131320 383924655 /nfs/dbraw/zinc/92/46/55/383924655.db2.gz CAKGOTJRCRKNKN-CYDGBPFRSA-N 2 1 228.380 1.608 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCOC1)C2 ZINC000643611309 383928689 /nfs/dbraw/zinc/92/86/89/383928689.db2.gz JFOYBJKGKQLLBJ-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCOC1)C2 ZINC000643611309 383928699 /nfs/dbraw/zinc/92/86/99/383928699.db2.gz JFOYBJKGKQLLBJ-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCOC1)C2 ZINC000643611309 383928706 /nfs/dbraw/zinc/92/87/06/383928706.db2.gz JFOYBJKGKQLLBJ-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP CCOC[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000313250737 384152737 /nfs/dbraw/zinc/15/27/37/384152737.db2.gz SWKHRQJCLCCVFD-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163664775 384208092 /nfs/dbraw/zinc/20/80/92/384208092.db2.gz HBOCQKPTLQONLS-YFKTTZPYSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCCCO)CC[N@@H+]1C ZINC000173528863 384226865 /nfs/dbraw/zinc/22/68/65/384226865.db2.gz SVJHTWCMDOBRNR-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCCCO)CC[N@H+]1C ZINC000173528863 384226872 /nfs/dbraw/zinc/22/68/72/384226872.db2.gz SVJHTWCMDOBRNR-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCO)CC[NH+]1C ZINC000173528863 384226875 /nfs/dbraw/zinc/22/68/75/384226875.db2.gz SVJHTWCMDOBRNR-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCO)CC[NH+]1C ZINC000173528863 384226877 /nfs/dbraw/zinc/22/68/77/384226877.db2.gz SVJHTWCMDOBRNR-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000069626414 384247595 /nfs/dbraw/zinc/24/75/95/384247595.db2.gz ROKSDDMYNNSBBX-GFCCVEGCSA-N 2 1 219.332 1.642 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1C ZINC000132992367 384266454 /nfs/dbraw/zinc/26/64/54/384266454.db2.gz NKXJFJKKLJMUBG-TZMCWYRMSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000132992367 384266456 /nfs/dbraw/zinc/26/64/56/384266456.db2.gz NKXJFJKKLJMUBG-TZMCWYRMSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000132992367 384266462 /nfs/dbraw/zinc/26/64/62/384266462.db2.gz NKXJFJKKLJMUBG-TZMCWYRMSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH+]1C ZINC000132992367 384266467 /nfs/dbraw/zinc/26/64/67/384266467.db2.gz NKXJFJKKLJMUBG-TZMCWYRMSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH+]1C ZINC000132992367 384266468 /nfs/dbraw/zinc/26/64/68/384266468.db2.gz NKXJFJKKLJMUBG-TZMCWYRMSA-N 3 1 239.407 1.401 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313340141 384271623 /nfs/dbraw/zinc/27/16/23/384271623.db2.gz LPYMHHAPDHKGQF-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401899545 384242170 /nfs/dbraw/zinc/24/21/70/384242170.db2.gz PPAHQHUBRRYUSZ-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP CCSCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000119997693 384322198 /nfs/dbraw/zinc/32/21/98/384322198.db2.gz XTKHROWLWQURCD-NSHDSACASA-N 2 1 216.394 1.623 20 0 BDADMP CCOCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173919800 384286697 /nfs/dbraw/zinc/28/66/97/384286697.db2.gz WUXOEDFJLXNEBG-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CCc1cc(NCC[NH+](C)C)nc(C)[nH+]1 ZINC000084081985 384364874 /nfs/dbraw/zinc/36/48/74/384364874.db2.gz FNWTVPNHADEYHY-UHFFFAOYSA-N 2 1 208.309 1.321 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000335600505 384370553 /nfs/dbraw/zinc/37/05/53/384370553.db2.gz DDKVNDVSAZEPKF-GFCCVEGCSA-N 2 1 226.389 1.734 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2ccccc2)C1 ZINC000235707290 384399271 /nfs/dbraw/zinc/39/92/71/384399271.db2.gz AAUAJOPHONLHPR-CQSZACIVSA-N 2 1 218.344 1.900 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1ccc(F)c(F)c1 ZINC000084480066 384399657 /nfs/dbraw/zinc/39/96/57/384399657.db2.gz RYGKESQBKPFGEM-UHFFFAOYSA-N 2 1 214.259 1.745 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc(F)c(F)c1 ZINC000084480066 384399663 /nfs/dbraw/zinc/39/96/63/384399663.db2.gz RYGKESQBKPFGEM-UHFFFAOYSA-N 2 1 214.259 1.745 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C[C@]1(C)CC[NH2+]C1 ZINC000647512832 384418084 /nfs/dbraw/zinc/41/80/84/384418084.db2.gz FMIXNZIHGWMFTD-CQSZACIVSA-N 2 1 234.343 1.824 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)C[C@]1(C)CC[NH2+]C1 ZINC000647512832 384418088 /nfs/dbraw/zinc/41/80/88/384418088.db2.gz FMIXNZIHGWMFTD-CQSZACIVSA-N 2 1 234.343 1.824 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000647513885 384428069 /nfs/dbraw/zinc/42/80/69/384428069.db2.gz NFWMBXGGVCMTOG-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCCO)CC[N@@H+]1C ZINC000304277534 384443905 /nfs/dbraw/zinc/44/39/05/384443905.db2.gz GHWPWPJTANDPRM-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCCO)CC[N@H+]1C ZINC000304277534 384443911 /nfs/dbraw/zinc/44/39/11/384443911.db2.gz GHWPWPJTANDPRM-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCCCO)CC[NH+]1C ZINC000304277534 384443917 /nfs/dbraw/zinc/44/39/17/384443917.db2.gz GHWPWPJTANDPRM-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCO)CC[NH+]1C ZINC000304277534 384443919 /nfs/dbraw/zinc/44/39/19/384443919.db2.gz GHWPWPJTANDPRM-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP Cc1ccncc1C[NH2+]CCC[NH+]1CCCC1 ZINC000135434143 384443967 /nfs/dbraw/zinc/44/39/67/384443967.db2.gz XUHVZAYZCCPGOZ-UHFFFAOYSA-N 2 1 233.359 1.966 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000647176657 384497980 /nfs/dbraw/zinc/49/79/80/384497980.db2.gz SMFIUEYWWOVVBH-YPMHNXCESA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@]1(C[N@@H+]2CCC[C@H](OC(F)F)C2)CC[NH2+]C1 ZINC000647518409 384502189 /nfs/dbraw/zinc/50/21/89/384502189.db2.gz HKIJKVSMIRHZOV-CMPLNLGQSA-N 2 1 248.317 1.690 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H](OC(F)F)C2)CC[NH2+]C1 ZINC000647518409 384502193 /nfs/dbraw/zinc/50/21/93/384502193.db2.gz HKIJKVSMIRHZOV-CMPLNLGQSA-N 2 1 248.317 1.690 20 0 BDADMP CC(C)CC[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000372847079 384535533 /nfs/dbraw/zinc/53/55/33/384535533.db2.gz MIERYPRZZJPVNG-NSHDSACASA-N 2 1 207.321 1.834 20 0 BDADMP C[C@H]([NH2+]CCC[NH3+])c1cc(F)ccc1F ZINC000037713344 384513553 /nfs/dbraw/zinc/51/35/53/384513553.db2.gz ADMIFZHHTRJCNV-QMMMGPOBSA-N 2 1 214.259 1.964 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428030581 384551961 /nfs/dbraw/zinc/55/19/61/384551961.db2.gz IOEFXVGIPXTFHG-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP COCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000643057535 384563312 /nfs/dbraw/zinc/56/33/12/384563312.db2.gz OOLBDFIYRWBOJP-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCCO1 ZINC000643067112 384580200 /nfs/dbraw/zinc/58/02/00/384580200.db2.gz YBVDXOYYIPJSAR-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCCO1 ZINC000643067112 384580204 /nfs/dbraw/zinc/58/02/04/384580204.db2.gz YBVDXOYYIPJSAR-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000040621082 384590869 /nfs/dbraw/zinc/59/08/69/384590869.db2.gz IUXWUWFVEDIZCF-AWEZNQCLSA-N 2 1 233.359 1.902 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000040621082 384590875 /nfs/dbraw/zinc/59/08/75/384590875.db2.gz IUXWUWFVEDIZCF-AWEZNQCLSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC(O)C1 ZINC000084446294 384622148 /nfs/dbraw/zinc/62/21/48/384622148.db2.gz ABPQBBIGZHMTTR-QUANKSPYSA-N 2 1 226.364 1.076 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000647537855 384658515 /nfs/dbraw/zinc/65/85/15/384658515.db2.gz QISJMOAOPWXKSR-UHFFFAOYSA-N 2 1 234.343 1.530 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000647537855 384658517 /nfs/dbraw/zinc/65/85/17/384658517.db2.gz QISJMOAOPWXKSR-UHFFFAOYSA-N 2 1 234.343 1.530 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000647536543 384660088 /nfs/dbraw/zinc/66/00/88/384660088.db2.gz BJXNPWLVPDLBIW-AWEZNQCLSA-N 2 1 244.342 1.505 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000647536543 384660092 /nfs/dbraw/zinc/66/00/92/384660092.db2.gz BJXNPWLVPDLBIW-AWEZNQCLSA-N 2 1 244.342 1.505 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CCSCC2)C[NH2+]1 ZINC000306686081 384661030 /nfs/dbraw/zinc/66/10/30/384661030.db2.gz JULUPLWTVGSGGB-KOLCDFICSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725452 384677744 /nfs/dbraw/zinc/67/77/44/384677744.db2.gz YIAMFISHEZWLON-WDEREUQCSA-N 2 1 208.305 1.552 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCO)C1 ZINC000304328261 384689036 /nfs/dbraw/zinc/68/90/36/384689036.db2.gz UCTLGRFNSIFTNH-ZDUSSCGKSA-N 2 1 228.380 1.423 20 0 BDADMP CC[N@H+](CC[NH2+]CC[C@@H]1CCOC1)C(C)C ZINC000309651485 384690522 /nfs/dbraw/zinc/69/05/22/384690522.db2.gz OGCLQZLSFAKUDL-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@@H+](CC[NH2+]CC[C@@H]1CCOC1)C(C)C ZINC000309651485 384690525 /nfs/dbraw/zinc/69/05/25/384690525.db2.gz OGCLQZLSFAKUDL-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647542732 384704728 /nfs/dbraw/zinc/70/47/28/384704728.db2.gz AXWMETNRWZLWHF-STQMWFEESA-N 2 1 248.374 1.621 20 0 BDADMP C[C@H](O)CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300697961 384729066 /nfs/dbraw/zinc/72/90/66/384729066.db2.gz FTQQWKNBHRXNOX-BPNCWPANSA-N 2 1 234.343 1.882 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546749 384732558 /nfs/dbraw/zinc/73/25/58/384732558.db2.gz ZZVTWTYCLPRHCY-REWJHTLYSA-N 3 1 239.407 1.482 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647547985 384750384 /nfs/dbraw/zinc/75/03/84/384750384.db2.gz QFSJTMDDAPFTEU-OLZOCXBDSA-N 3 1 237.391 1.250 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647552374 384757620 /nfs/dbraw/zinc/75/76/20/384757620.db2.gz YBBGKVHEDLLMIL-ODXJTPSBSA-N 2 1 237.391 1.234 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000647552119 384758095 /nfs/dbraw/zinc/75/80/95/384758095.db2.gz GRFMCPRHQLEITN-NELGMTEASA-N 3 1 239.407 1.447 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000309986452 384768799 /nfs/dbraw/zinc/76/87/99/384768799.db2.gz YMQWNUGIIBWUOT-RWMBFGLXSA-N 2 1 228.380 1.730 20 0 BDADMP C[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423247026 384781813 /nfs/dbraw/zinc/78/18/13/384781813.db2.gz OPVCMQYTZPNKEW-CABCVRRESA-N 2 1 247.386 1.631 20 0 BDADMP CC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000310011121 384784023 /nfs/dbraw/zinc/78/40/23/384784023.db2.gz IPBZYIDMVZDTHL-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000310011121 384784030 /nfs/dbraw/zinc/78/40/30/384784030.db2.gz IPBZYIDMVZDTHL-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC(C)(C)COC ZINC000310009522 384784150 /nfs/dbraw/zinc/78/41/50/384784150.db2.gz ICQDXOZCLASQFX-GFCCVEGCSA-N 2 1 230.396 1.979 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC(C)(C)COC ZINC000310009522 384784157 /nfs/dbraw/zinc/78/41/57/384784157.db2.gz ICQDXOZCLASQFX-GFCCVEGCSA-N 2 1 230.396 1.979 20 0 BDADMP C[NH2+]CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423247029 384784549 /nfs/dbraw/zinc/78/45/49/384784549.db2.gz OPVCMQYTZPNKEW-LSDHHAIUSA-N 2 1 247.386 1.631 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375661831 384810324 /nfs/dbraw/zinc/81/03/24/384810324.db2.gz WTAFJBQHZUYNGF-QWHCGFSZSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375661831 384810329 /nfs/dbraw/zinc/81/03/29/384810329.db2.gz WTAFJBQHZUYNGF-QWHCGFSZSA-N 2 1 248.374 1.445 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000042466485 384813748 /nfs/dbraw/zinc/81/37/48/384813748.db2.gz VSSMFRZEVFEYCB-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000423360024 384837242 /nfs/dbraw/zinc/83/72/42/384837242.db2.gz FEKHHSIMUTYGAX-SRVKXCTJSA-N 2 1 236.363 1.649 20 0 BDADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000423360022 384837251 /nfs/dbraw/zinc/83/72/51/384837251.db2.gz FEKHHSIMUTYGAX-QJPTWQEYSA-N 2 1 236.363 1.649 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000423403003 384857249 /nfs/dbraw/zinc/85/72/49/384857249.db2.gz WYCCYSCYENSWAM-TUAOUCFPSA-N 2 1 236.363 1.731 20 0 BDADMP CC[N@@H+](C)CCNC1CC[NH+](C2CC2)CC1 ZINC000309282710 384889252 /nfs/dbraw/zinc/88/92/52/384889252.db2.gz UFCFETQLUQHGIC-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP C([C@H]1CCCOC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310546217 384866338 /nfs/dbraw/zinc/86/63/38/384866338.db2.gz DSNHWUQGURBLCN-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP Cc1ccc(C)c(CNC[C@@H]2C[NH2+]CCO2)c1 ZINC000258918036 384950880 /nfs/dbraw/zinc/95/08/80/384950880.db2.gz MXLHAEIWKKIWDN-AWEZNQCLSA-N 2 1 234.343 1.381 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000336266209 384903922 /nfs/dbraw/zinc/90/39/22/384903922.db2.gz ICVFAHLXLMMSMJ-ZIAGYGMSSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000336266209 384903925 /nfs/dbraw/zinc/90/39/25/384903925.db2.gz ICVFAHLXLMMSMJ-ZIAGYGMSSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000336145831 384922705 /nfs/dbraw/zinc/92/27/05/384922705.db2.gz NKWMORNLNRXPAB-JSGCOSHPSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336145831 384922714 /nfs/dbraw/zinc/92/27/14/384922714.db2.gz NKWMORNLNRXPAB-JSGCOSHPSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336145831 384922722 /nfs/dbraw/zinc/92/27/22/384922722.db2.gz NKWMORNLNRXPAB-JSGCOSHPSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336145831 384922728 /nfs/dbraw/zinc/92/27/28/384922728.db2.gz NKWMORNLNRXPAB-JSGCOSHPSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336145831 384922736 /nfs/dbraw/zinc/92/27/36/384922736.db2.gz NKWMORNLNRXPAB-JSGCOSHPSA-N 2 1 237.391 1.178 20 0 BDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CC1 ZINC000644515697 384929814 /nfs/dbraw/zinc/92/98/14/384929814.db2.gz PINFBDVAVHHVMM-HNNXBMFYSA-N 2 1 248.370 1.479 20 0 BDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CC1 ZINC000644515697 384929818 /nfs/dbraw/zinc/92/98/18/384929818.db2.gz PINFBDVAVHHVMM-HNNXBMFYSA-N 2 1 248.370 1.479 20 0 BDADMP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1F ZINC000258813318 384939949 /nfs/dbraw/zinc/93/99/49/384939949.db2.gz KXQYCSBXZSSKMM-UHFFFAOYSA-N 2 1 226.295 1.661 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000307278667 384980064 /nfs/dbraw/zinc/98/00/64/384980064.db2.gz VCMWWPNJSUGHCZ-DCAQKATOSA-N 2 1 214.378 1.612 20 0 BDADMP CC[N@H+]1CC[C@@H](CNCc2ccns2)C1 ZINC000404421370 384991752 /nfs/dbraw/zinc/99/17/52/384991752.db2.gz CVKJZQWUAYCZKP-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000404421370 384991760 /nfs/dbraw/zinc/99/17/60/384991760.db2.gz CVKJZQWUAYCZKP-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000404421370 384991772 /nfs/dbraw/zinc/99/17/72/384991772.db2.gz CVKJZQWUAYCZKP-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP Cn1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128100393 384992414 /nfs/dbraw/zinc/99/24/14/384992414.db2.gz AWBOTEDFUAKKNQ-ZIAGYGMSSA-N 2 1 233.359 1.742 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336681280 385000570 /nfs/dbraw/zinc/00/05/70/385000570.db2.gz YBFXXNCMRKOWLV-QWHCGFSZSA-N 3 1 229.412 1.824 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336681280 385000578 /nfs/dbraw/zinc/00/05/78/385000578.db2.gz YBFXXNCMRKOWLV-QWHCGFSZSA-N 3 1 229.412 1.824 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000226396218 385008963 /nfs/dbraw/zinc/00/89/63/385008963.db2.gz YKIDYQWIDLQTBN-NEPJUHHUSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403986 385012706 /nfs/dbraw/zinc/01/27/06/385012706.db2.gz LJEVZWOJDREIBG-LOWVWBTDSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CC1([NH+](C)C)CCCC1 ZINC000310444145 385061883 /nfs/dbraw/zinc/06/18/83/385061883.db2.gz WLNPHHOLOTVHAJ-CYBMUJFWSA-N 3 1 241.423 1.968 20 0 BDADMP Cc1cc[nH+]c(N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000226955474 385073830 /nfs/dbraw/zinc/07/38/30/385073830.db2.gz IKRMBQCIRNLIFC-RYUDHWBXSA-N 2 1 219.332 1.954 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404806782 385076842 /nfs/dbraw/zinc/07/68/42/385076842.db2.gz ZGMGBZZBEKUMDN-MNOVXSKESA-N 2 1 223.320 1.507 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000647244200 385047314 /nfs/dbraw/zinc/04/73/14/385047314.db2.gz WAUHZZBLNDFDEQ-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP CCc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)nc(C)[nH+]1 ZINC000227075722 385087018 /nfs/dbraw/zinc/08/70/18/385087018.db2.gz WXTXHUPTHXNPKU-CABZTGNLSA-N 2 1 234.347 1.521 20 0 BDADMP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC000647051330 385186362 /nfs/dbraw/zinc/18/63/62/385186362.db2.gz PITLXUABAIVWHW-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2CC23CC3)CC1 ZINC000424335352 385151928 /nfs/dbraw/zinc/15/19/28/385151928.db2.gz ZTCITKHBYYHSPC-GFCCVEGCSA-N 2 1 224.348 1.239 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480263 385163075 /nfs/dbraw/zinc/16/30/75/385163075.db2.gz IDTVIGBPAMPMFR-GXTWGEPZSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480263 385163079 /nfs/dbraw/zinc/16/30/79/385163079.db2.gz IDTVIGBPAMPMFR-GXTWGEPZSA-N 2 1 248.374 1.682 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000045107871 385246803 /nfs/dbraw/zinc/24/68/03/385246803.db2.gz JDFQWRCPTCOMSZ-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP COC[C@@H](C)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482555 385205369 /nfs/dbraw/zinc/20/53/69/385205369.db2.gz PCXBGTYFUSXCHP-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCO ZINC000191473459 385304396 /nfs/dbraw/zinc/30/43/96/385304396.db2.gz MYQUEJPKYZTQOR-UHFFFAOYSA-N 2 1 225.336 1.150 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCO ZINC000191473459 385304399 /nfs/dbraw/zinc/30/43/99/385304399.db2.gz MYQUEJPKYZTQOR-UHFFFAOYSA-N 2 1 225.336 1.150 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC2(C1)CCOCC2 ZINC000308956959 385320246 /nfs/dbraw/zinc/32/02/46/385320246.db2.gz YYEKLMYGXZJSLN-UHFFFAOYSA-N 2 1 212.337 1.098 20 0 BDADMP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000299892171 385271686 /nfs/dbraw/zinc/27/16/86/385271686.db2.gz PTIUQMLIXIWWRY-CYDGBPFRSA-N 2 1 224.348 1.116 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000308928407 385289295 /nfs/dbraw/zinc/28/92/95/385289295.db2.gz QQQVWVAZKKFFOE-SDDRHHMPSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1C ZINC000177838714 385292747 /nfs/dbraw/zinc/29/27/47/385292747.db2.gz XBLBJAKMWWHMAG-IUODEOHRSA-N 2 1 248.370 1.751 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc1 ZINC000228150731 385349131 /nfs/dbraw/zinc/34/91/31/385349131.db2.gz BBFMODDXZNQUIC-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000228202960 385362401 /nfs/dbraw/zinc/36/24/01/385362401.db2.gz NCHNAJDICIPVKV-GZMMTYOYSA-N 2 1 239.388 1.929 20 0 BDADMP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000400168276 385327419 /nfs/dbraw/zinc/32/74/19/385327419.db2.gz MCXUCKVLLWXSAE-SMDDNHRTSA-N 2 1 238.375 1.485 20 0 BDADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000181438583 385407701 /nfs/dbraw/zinc/40/77/01/385407701.db2.gz WMPNLWIBTNYFOG-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@@H]1C ZINC000309093031 385413669 /nfs/dbraw/zinc/41/36/69/385413669.db2.gz BWFGOBDUUKZOTJ-WZRBSPASSA-N 2 1 208.349 1.882 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)CC[N@@H+]1C ZINC000309108398 385426246 /nfs/dbraw/zinc/42/62/46/385426246.db2.gz IUCPZGNHNJBQLG-WRWGMCAJSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)CC[N@H+]1C ZINC000309108398 385426247 /nfs/dbraw/zinc/42/62/47/385426247.db2.gz IUCPZGNHNJBQLG-WRWGMCAJSA-N 2 1 214.328 1.949 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647498958 385423295 /nfs/dbraw/zinc/42/32/95/385423295.db2.gz UXDGBYKHROMTRH-RYUDHWBXSA-N 2 1 234.347 1.053 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647498958 385423298 /nfs/dbraw/zinc/42/32/98/385423298.db2.gz UXDGBYKHROMTRH-RYUDHWBXSA-N 2 1 234.347 1.053 20 0 BDADMP Fc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000364441897 385444966 /nfs/dbraw/zinc/44/49/66/385444966.db2.gz GOQKCHLADPWMIB-STQMWFEESA-N 2 1 249.333 1.937 20 0 BDADMP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000364441897 385444969 /nfs/dbraw/zinc/44/49/69/385444969.db2.gz GOQKCHLADPWMIB-STQMWFEESA-N 2 1 249.333 1.937 20 0 BDADMP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000364441897 385444973 /nfs/dbraw/zinc/44/49/73/385444973.db2.gz GOQKCHLADPWMIB-STQMWFEESA-N 2 1 249.333 1.937 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC000182210962 385434716 /nfs/dbraw/zinc/43/47/16/385434716.db2.gz YVCLAIWCYXRMDC-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC000182210962 385434723 /nfs/dbraw/zinc/43/47/23/385434723.db2.gz YVCLAIWCYXRMDC-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC000182210962 385434726 /nfs/dbraw/zinc/43/47/26/385434726.db2.gz YVCLAIWCYXRMDC-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@@](C)(C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)OC ZINC000318959089 385530878 /nfs/dbraw/zinc/53/08/78/385530878.db2.gz CGJBBZDYTXASNE-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000172387001 385531718 /nfs/dbraw/zinc/53/17/18/385531718.db2.gz SLYBPAORHFYAMK-CYBMUJFWSA-N 2 1 227.396 1.354 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000309333884 385536035 /nfs/dbraw/zinc/53/60/35/385536035.db2.gz JSBCADISTXRFTC-WUHRBBMRSA-N 2 1 228.380 1.730 20 0 BDADMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000367705412 385538095 /nfs/dbraw/zinc/53/80/95/385538095.db2.gz MNLPIEBLHFCUGF-LLVKDONJSA-N 2 1 219.332 1.930 20 0 BDADMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000367705412 385538097 /nfs/dbraw/zinc/53/80/97/385538097.db2.gz MNLPIEBLHFCUGF-LLVKDONJSA-N 2 1 219.332 1.930 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643032565 385527668 /nfs/dbraw/zinc/52/76/68/385527668.db2.gz DWZBJOUMZDJLBL-ONGXEEELSA-N 2 1 237.734 1.923 20 0 BDADMP C[C@@H](O)CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000309409201 385572908 /nfs/dbraw/zinc/57/29/08/385572908.db2.gz WJTIXTVFACKOHE-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000309409201 385572910 /nfs/dbraw/zinc/57/29/10/385572910.db2.gz WJTIXTVFACKOHE-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000269519510 385601326 /nfs/dbraw/zinc/60/13/26/385601326.db2.gz LJUQGZDHMPREJT-CYBMUJFWSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000269519510 385601330 /nfs/dbraw/zinc/60/13/30/385601330.db2.gz LJUQGZDHMPREJT-CYBMUJFWSA-N 2 1 233.359 1.774 20 0 BDADMP CCCC[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000309444884 385582557 /nfs/dbraw/zinc/58/25/57/385582557.db2.gz OWHOQLSJRAGYTA-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000309444884 385582559 /nfs/dbraw/zinc/58/25/59/385582559.db2.gz OWHOQLSJRAGYTA-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309444884 385582561 /nfs/dbraw/zinc/58/25/61/385582561.db2.gz OWHOQLSJRAGYTA-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309444884 385582564 /nfs/dbraw/zinc/58/25/64/385582564.db2.gz OWHOQLSJRAGYTA-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP Cc1cnccc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000181645259 385590967 /nfs/dbraw/zinc/59/09/67/385590967.db2.gz WJKYMYQVSRVTJV-UHFFFAOYSA-N 2 1 248.330 1.559 20 0 BDADMP C[C@H](CCN(C)C)[NH2+][C@@H](C)CCC[NH3+] ZINC000336680183 385628425 /nfs/dbraw/zinc/62/84/25/385628425.db2.gz GJKPQUHDWUSXSH-WDEREUQCSA-N 2 1 201.358 1.044 20 0 BDADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000414850276 385632837 /nfs/dbraw/zinc/63/28/37/385632837.db2.gz IFCHUTVYZLAQSY-CHWSQXEVSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000309510031 385644098 /nfs/dbraw/zinc/64/40/98/385644098.db2.gz XBJNSABQBLBGPL-YPMHNXCESA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000309510031 385644107 /nfs/dbraw/zinc/64/41/07/385644107.db2.gz XBJNSABQBLBGPL-YPMHNXCESA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000235458783 259673481 /nfs/dbraw/zinc/67/34/81/259673481.db2.gz WDFMOIFNYMDSMO-VHSXEESVSA-N 2 1 210.296 1.694 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000414856419 385712733 /nfs/dbraw/zinc/71/27/33/385712733.db2.gz ABMFFFMUXPJHIT-UHFFFAOYSA-N 2 1 224.352 1.472 20 0 BDADMP NC1(C[NH2+]CC2CC[NH2+]CC2)CCCCCC1 ZINC000414856493 385713941 /nfs/dbraw/zinc/71/39/41/385713941.db2.gz AMVQFCRRMUKTPA-UHFFFAOYSA-N 2 1 239.407 1.627 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414858002 385730799 /nfs/dbraw/zinc/73/07/99/385730799.db2.gz HDFYCOFSBINTSQ-OLZOCXBDSA-N 3 1 227.396 1.496 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336692306 385734053 /nfs/dbraw/zinc/73/40/53/385734053.db2.gz HTLSNIJTGRWRGB-KGLIPLIRSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336692306 385734057 /nfs/dbraw/zinc/73/40/57/385734057.db2.gz HTLSNIJTGRWRGB-KGLIPLIRSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336692306 385734061 /nfs/dbraw/zinc/73/40/61/385734061.db2.gz HTLSNIJTGRWRGB-KGLIPLIRSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336692306 385734063 /nfs/dbraw/zinc/73/40/63/385734063.db2.gz HTLSNIJTGRWRGB-KGLIPLIRSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336692306 385734069 /nfs/dbraw/zinc/73/40/69/385734069.db2.gz HTLSNIJTGRWRGB-KGLIPLIRSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414859672 385736697 /nfs/dbraw/zinc/73/66/97/385736697.db2.gz URUPQHDWLJUKDD-IHRRRGAJSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414859672 385736701 /nfs/dbraw/zinc/73/67/01/385736701.db2.gz URUPQHDWLJUKDD-IHRRRGAJSA-N 3 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414859672 385736702 /nfs/dbraw/zinc/73/67/02/385736702.db2.gz URUPQHDWLJUKDD-IHRRRGAJSA-N 3 1 239.407 1.306 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000414861925 385748082 /nfs/dbraw/zinc/74/80/82/385748082.db2.gz UDISWZMIFYKONK-UHFFFAOYSA-N 2 1 224.352 1.406 20 0 BDADMP c1cn(CC[N@H+]2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000270844498 385750533 /nfs/dbraw/zinc/75/05/33/385750533.db2.gz OGSPDEFYIWYDPO-NWDGAFQWSA-N 2 1 221.304 1.136 20 0 BDADMP Cc1nccn1CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000161856432 385781492 /nfs/dbraw/zinc/78/14/92/385781492.db2.gz TXLZBHXLTYGYMI-ZDUSSCGKSA-N 2 1 236.363 1.075 20 0 BDADMP C[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C1(C)CC1 ZINC000336690694 385722577 /nfs/dbraw/zinc/72/25/77/385722577.db2.gz HISOJBCKKNMVOV-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C1(C)CC1 ZINC000336690694 385722581 /nfs/dbraw/zinc/72/25/81/385722581.db2.gz HISOJBCKKNMVOV-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)C1(C)CC1 ZINC000336690694 385722585 /nfs/dbraw/zinc/72/25/85/385722585.db2.gz HISOJBCKKNMVOV-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1)C1(C)CC1 ZINC000336690694 385722595 /nfs/dbraw/zinc/72/25/95/385722595.db2.gz HISOJBCKKNMVOV-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP Cc1[nH+]ccn1CCCNc1cc[nH+]cc1C ZINC000337874160 385812791 /nfs/dbraw/zinc/81/27/91/385812791.db2.gz TWAMWEGRFJBVKO-UHFFFAOYSA-N 2 1 230.315 1.819 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000393496840 385818753 /nfs/dbraw/zinc/81/87/53/385818753.db2.gz SEUZZLJLQQEQCD-YVECIDJPSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000393496840 385818758 /nfs/dbraw/zinc/81/87/58/385818758.db2.gz SEUZZLJLQQEQCD-YVECIDJPSA-N 2 1 226.364 1.626 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])CC1CCC(C)(C)CC1 ZINC000336738093 385828247 /nfs/dbraw/zinc/82/82/47/385828247.db2.gz JZEKECZWBLVJHG-GFCCVEGCSA-N 2 1 228.380 1.454 20 0 BDADMP COc1cc(C)nc(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000414869610 385838100 /nfs/dbraw/zinc/83/81/00/385838100.db2.gz AXBTXSFGUUKDPA-SECBINFHSA-N 2 1 223.320 1.083 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112341362 385839435 /nfs/dbraw/zinc/83/94/35/385839435.db2.gz YUPRCUXCEZLMTA-NWDGAFQWSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112341362 385839439 /nfs/dbraw/zinc/83/94/39/385839439.db2.gz YUPRCUXCEZLMTA-NWDGAFQWSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112346152 385840196 /nfs/dbraw/zinc/84/01/96/385840196.db2.gz KCEHPBQMVPUTID-VXGBXAGGSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112346152 385840198 /nfs/dbraw/zinc/84/01/98/385840198.db2.gz KCEHPBQMVPUTID-VXGBXAGGSA-N 2 1 234.347 1.137 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(F)(F)F ZINC000123535734 385887045 /nfs/dbraw/zinc/88/70/45/385887045.db2.gz GSMBCXBVANFBCU-HTQZYQBOSA-N 2 1 210.243 1.608 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)n1 ZINC000414961895 385887820 /nfs/dbraw/zinc/88/78/20/385887820.db2.gz RWSFZVBIPVLQTM-DGCLKSJQSA-N 2 1 249.358 1.568 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122353848 385913382 /nfs/dbraw/zinc/91/33/82/385913382.db2.gz GCYQIDRSUDGKFT-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP Cc1cnccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000295564982 385923987 /nfs/dbraw/zinc/92/39/87/385923987.db2.gz ZLNJJHPZQBPVCO-UHFFFAOYSA-N 2 1 231.343 1.742 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000335038166 385927510 /nfs/dbraw/zinc/92/75/10/385927510.db2.gz HFOMNLTXXYOUCZ-RYUDHWBXSA-N 2 1 226.364 1.391 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647830557 385872562 /nfs/dbraw/zinc/87/25/62/385872562.db2.gz QSSDNOHBLUTFSM-ZDUSSCGKSA-N 3 1 225.380 1.047 20 0 BDADMP CCN1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335019215 385978988 /nfs/dbraw/zinc/97/89/88/385978988.db2.gz LUKIJDIPZXASIT-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000335019215 385978996 /nfs/dbraw/zinc/97/89/96/385978996.db2.gz LUKIJDIPZXASIT-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000335043065 385936142 /nfs/dbraw/zinc/93/61/42/385936142.db2.gz MKCYULUBJMFPLT-BLLLJJGKSA-N 2 1 244.382 1.989 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000425399849 385949573 /nfs/dbraw/zinc/94/95/73/385949573.db2.gz FDGKFPTYVTURIR-YPMHNXCESA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924821 385958595 /nfs/dbraw/zinc/95/85/95/385958595.db2.gz NDHGIVQRKDLSDF-NSHDSACASA-N 2 1 241.379 1.055 20 0 BDADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414880167 385961306 /nfs/dbraw/zinc/96/13/06/385961306.db2.gz JRCJUDLIBVHHEI-HTQZYQBOSA-N 2 1 210.243 1.669 20 0 BDADMP CO[C@H](C)C[N@H+](C)CCn1cc[nH+]c1C ZINC000285784349 385965889 /nfs/dbraw/zinc/96/58/89/385965889.db2.gz STJABPNRAJSELG-SNVBAGLBSA-N 2 1 211.309 1.158 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000285784349 385965893 /nfs/dbraw/zinc/96/58/93/385965893.db2.gz STJABPNRAJSELG-SNVBAGLBSA-N 2 1 211.309 1.158 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1C[C@@H]1C ZINC000414125427 385975049 /nfs/dbraw/zinc/97/50/49/385975049.db2.gz CXUPZBNVAGPTPC-ZDEQEGDKSA-N 2 1 226.364 1.077 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1C[C@@H]1C ZINC000414125427 385975060 /nfs/dbraw/zinc/97/50/60/385975060.db2.gz CXUPZBNVAGPTPC-ZDEQEGDKSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CC1(C)C ZINC000336750366 386003427 /nfs/dbraw/zinc/00/34/27/386003427.db2.gz USMJNFBUNCOJDG-GVXVVHGQSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000336750366 386003434 /nfs/dbraw/zinc/00/34/34/386003434.db2.gz USMJNFBUNCOJDG-GVXVVHGQSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CC1(C)C ZINC000336750364 386003657 /nfs/dbraw/zinc/00/36/57/386003657.db2.gz USMJNFBUNCOJDG-DMDPSCGWSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000336750364 386003664 /nfs/dbraw/zinc/00/36/64/386003664.db2.gz USMJNFBUNCOJDG-DMDPSCGWSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976200 386013267 /nfs/dbraw/zinc/01/32/67/386013267.db2.gz NPXHEVPGTVNVLR-RDBSUJKOSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH+](C)[C@H](C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000336751921 386014136 /nfs/dbraw/zinc/01/41/36/386014136.db2.gz FRTALALBPZDMOE-ZYHUDNBSSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000414169569 386015750 /nfs/dbraw/zinc/01/57/50/386015750.db2.gz BHCZEOUWFFXTTN-VXGBXAGGSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1nccn1-c1ccccc1 ZINC000414882835 386019991 /nfs/dbraw/zinc/01/99/91/386019991.db2.gz UQIXGGGQOZRQQT-LBPRGKRZSA-N 2 1 244.342 1.557 20 0 BDADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000425422302 386039152 /nfs/dbraw/zinc/03/91/52/386039152.db2.gz MTHMLXGWGSALBY-IACUBPJLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000425422302 386039155 /nfs/dbraw/zinc/03/91/55/386039155.db2.gz MTHMLXGWGSALBY-IACUBPJLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000425422302 386039159 /nfs/dbraw/zinc/03/91/59/386039159.db2.gz MTHMLXGWGSALBY-IACUBPJLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000425422302 386039163 /nfs/dbraw/zinc/03/91/63/386039163.db2.gz MTHMLXGWGSALBY-IACUBPJLSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000414664089 386105326 /nfs/dbraw/zinc/10/53/26/386105326.db2.gz SYMOOAKSTVIFGQ-LPWJVIDDSA-N 2 1 225.380 1.044 20 0 BDADMP CCc1nc(NC[C@@](C)([NH3+])COC)cc(C)[nH+]1 ZINC000287432346 386124022 /nfs/dbraw/zinc/12/40/22/386124022.db2.gz USKQVXJASRTZGN-GFCCVEGCSA-N 2 1 238.335 1.123 20 0 BDADMP Cc1cnccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000295973718 386116162 /nfs/dbraw/zinc/11/61/62/386116162.db2.gz IUAALAVSUWEYEC-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cnccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000295973718 386116166 /nfs/dbraw/zinc/11/61/66/386116166.db2.gz IUAALAVSUWEYEC-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000295973718 386116170 /nfs/dbraw/zinc/11/61/70/386116170.db2.gz IUAALAVSUWEYEC-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000295973718 386116173 /nfs/dbraw/zinc/11/61/73/386116173.db2.gz IUAALAVSUWEYEC-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000311996434 386070438 /nfs/dbraw/zinc/07/04/38/386070438.db2.gz GDIWNUBBAFIJBL-ONGXEEELSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000311996434 386070448 /nfs/dbraw/zinc/07/04/48/386070448.db2.gz GDIWNUBBAFIJBL-ONGXEEELSA-N 2 1 237.347 1.715 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404141 386076700 /nfs/dbraw/zinc/07/67/00/386076700.db2.gz OUJYRWYDGFKLSK-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655679 386081700 /nfs/dbraw/zinc/08/17/00/386081700.db2.gz DVAMRBDXQPUUGA-FDYHWXHSSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C)[C@H]2CN)CC[NH2+]1 ZINC000414657084 386085699 /nfs/dbraw/zinc/08/56/99/386085699.db2.gz JMDPILCFOYNLAX-AAVRWANBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@H](CN2CCC[C@@H](C)[C@H]2C[NH3+])CC[NH2+]1 ZINC000414657084 386085700 /nfs/dbraw/zinc/08/57/00/386085700.db2.gz JMDPILCFOYNLAX-AAVRWANBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H](C)O1 ZINC000414283785 386094025 /nfs/dbraw/zinc/09/40/25/386094025.db2.gz PPTLWAXPVGQFNC-RKQHYHRCSA-N 2 1 240.391 1.872 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H](O)C(C)C ZINC000414286447 386096082 /nfs/dbraw/zinc/09/60/82/386096082.db2.gz CODORGBAAABBRJ-KGLIPLIRSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000414663328 386097527 /nfs/dbraw/zinc/09/75/27/386097527.db2.gz REEHECCYABFRJY-VXGBXAGGSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+](C)CC(C)(C)CN)CC[NH2+]1 ZINC000414663328 386097530 /nfs/dbraw/zinc/09/75/30/386097530.db2.gz REEHECCYABFRJY-VXGBXAGGSA-N 2 1 227.396 1.291 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(C)(C)CN)CC[NH2+]1 ZINC000414663328 386097536 /nfs/dbraw/zinc/09/75/36/386097536.db2.gz REEHECCYABFRJY-VXGBXAGGSA-N 2 1 227.396 1.291 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414991961 386150453 /nfs/dbraw/zinc/15/04/53/386150453.db2.gz BIGLPLKCRJFXST-XQQFMLRXSA-N 2 1 227.396 1.467 20 0 BDADMP [NH3+][C@H](C[NH2+]Cc1cccc2c[nH]nc21)C1CC1 ZINC000414895909 386190226 /nfs/dbraw/zinc/19/02/26/386190226.db2.gz NUCAVQLODBBCMS-GFCCVEGCSA-N 2 1 230.315 1.390 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CCO)C1CCCCC1 ZINC000414678968 386160616 /nfs/dbraw/zinc/16/06/16/386160616.db2.gz YTCOFCGYXNHPAR-CYBMUJFWSA-N 2 1 242.407 1.987 20 0 BDADMP [NH3+][C@@H](C[NH2+]Cc1cccc2c[nH]nc21)C1CC1 ZINC000414895910 386190494 /nfs/dbraw/zinc/19/04/94/386190494.db2.gz NUCAVQLODBBCMS-LBPRGKRZSA-N 2 1 230.315 1.390 20 0 BDADMP C[C@H](CC[NH+](C)C)Nc1[nH+]cnc2[nH]ccc21 ZINC000263766958 386175055 /nfs/dbraw/zinc/17/50/55/386175055.db2.gz JAANZPKUODLRGT-SECBINFHSA-N 2 1 233.319 1.710 20 0 BDADMP C[C@H]1C[C@H](N(C)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000414692634 386182229 /nfs/dbraw/zinc/18/22/29/386182229.db2.gz CYNCVMQBVQWEAC-QWHCGFSZSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000414891270 386138242 /nfs/dbraw/zinc/13/82/42/386138242.db2.gz WJZQTYZDLVIETL-JSGCOSHPSA-N 2 1 218.344 1.817 20 0 BDADMP CSC1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000335151031 386143612 /nfs/dbraw/zinc/14/36/12/386143612.db2.gz GQYYYSJUQNQWEU-PHIMTYICSA-N 2 1 226.389 1.375 20 0 BDADMP CSC1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000335151031 386143617 /nfs/dbraw/zinc/14/36/17/386143617.db2.gz GQYYYSJUQNQWEU-PHIMTYICSA-N 2 1 226.389 1.375 20 0 BDADMP CSC1(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000335151031 386143622 /nfs/dbraw/zinc/14/36/22/386143622.db2.gz GQYYYSJUQNQWEU-PHIMTYICSA-N 2 1 226.389 1.375 20 0 BDADMP Cc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414896590 386205057 /nfs/dbraw/zinc/20/50/57/386205057.db2.gz PNUVKGJBBICYCZ-ZDUSSCGKSA-N 2 1 204.317 1.822 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000339008852 386206884 /nfs/dbraw/zinc/20/68/84/386206884.db2.gz DGOWEHAUWNEDRS-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000339008852 386206886 /nfs/dbraw/zinc/20/68/86/386206886.db2.gz DGOWEHAUWNEDRS-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000339008852 386206890 /nfs/dbraw/zinc/20/68/90/386206890.db2.gz DGOWEHAUWNEDRS-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP c1cc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647881021 386207164 /nfs/dbraw/zinc/20/71/64/386207164.db2.gz UXXVAETZLNXXFI-RYUDHWBXSA-N 2 1 234.347 1.199 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCOC2CCC2)CCN1C ZINC000347052702 386207146 /nfs/dbraw/zinc/20/71/46/386207146.db2.gz KQBVEKUYLXGHQU-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCOC2CCC2)CC[N@@H+]1C ZINC000347052702 386207150 /nfs/dbraw/zinc/20/71/50/386207150.db2.gz KQBVEKUYLXGHQU-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCOC2CCC2)CC[N@H+]1C ZINC000347052702 386207158 /nfs/dbraw/zinc/20/71/58/386207158.db2.gz KQBVEKUYLXGHQU-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCOC2CCC2)CC[NH+]1C ZINC000347052702 386207161 /nfs/dbraw/zinc/20/71/61/386207161.db2.gz KQBVEKUYLXGHQU-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000339011885 386209644 /nfs/dbraw/zinc/20/96/44/386209644.db2.gz WGFRVINCPZRPLK-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000339011885 386209648 /nfs/dbraw/zinc/20/96/48/386209648.db2.gz WGFRVINCPZRPLK-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000339011885 386209653 /nfs/dbraw/zinc/20/96/53/386209653.db2.gz WGFRVINCPZRPLK-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP [NH3+][C@H](C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC000414897575 386212989 /nfs/dbraw/zinc/21/29/89/386212989.db2.gz RSPCNEBVTMAPLM-GFCCVEGCSA-N 2 1 208.280 1.653 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000414712058 386228352 /nfs/dbraw/zinc/22/83/52/386228352.db2.gz SGDHCMDKGNSDGM-AVGNSLFASA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000414712058 386228354 /nfs/dbraw/zinc/22/83/54/386228354.db2.gz SGDHCMDKGNSDGM-AVGNSLFASA-N 2 1 228.380 1.453 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccon2)CC[NH2+]1 ZINC000414717203 386241890 /nfs/dbraw/zinc/24/18/90/386241890.db2.gz XVPCDMSEZGUSQJ-WDEREUQCSA-N 2 1 223.320 1.495 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)CC[C@H]1[NH3+] ZINC000347098910 386249916 /nfs/dbraw/zinc/24/99/16/386249916.db2.gz IXFMWPYAPUKQST-ZYHUDNBSSA-N 2 1 248.326 1.584 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCO3)CC[C@H]1[NH3+] ZINC000347098910 386249918 /nfs/dbraw/zinc/24/99/18/386249918.db2.gz IXFMWPYAPUKQST-ZYHUDNBSSA-N 2 1 248.326 1.584 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC000347099019 386250587 /nfs/dbraw/zinc/25/05/87/386250587.db2.gz JCFPQSJWEUOIDT-AAVRWANBSA-N 2 1 240.391 1.861 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695458 386193343 /nfs/dbraw/zinc/19/33/43/386193343.db2.gz UUQPYIUSICERFR-NEPJUHHUSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415005174 386297875 /nfs/dbraw/zinc/29/78/75/386297875.db2.gz ISGCDIBWIVWTAS-QWRGUYRKSA-N 2 1 245.330 1.093 20 0 BDADMP C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccon1 ZINC000647886706 386299730 /nfs/dbraw/zinc/29/97/30/386299730.db2.gz MWTHJHRJXHPLQE-UHFFFAOYSA-N 2 1 237.347 1.886 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccon1 ZINC000647886706 386299734 /nfs/dbraw/zinc/29/97/34/386299734.db2.gz MWTHJHRJXHPLQE-UHFFFAOYSA-N 2 1 237.347 1.886 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@@H]([NH3+])CC(C)C)C[C@H]1C ZINC000414733957 386300454 /nfs/dbraw/zinc/30/04/54/386300454.db2.gz FJQZGHOELFOTIR-RDBSUJKOSA-N 2 1 241.423 1.774 20 0 BDADMP C[C@@H](O)CCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336672504 386302235 /nfs/dbraw/zinc/30/22/35/386302235.db2.gz SXHKFIRSXPGUPP-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H](O)CCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336672504 386302239 /nfs/dbraw/zinc/30/22/39/386302239.db2.gz SXHKFIRSXPGUPP-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H](O)CCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336672504 386302244 /nfs/dbraw/zinc/30/22/44/386302244.db2.gz SXHKFIRSXPGUPP-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414737071 386305043 /nfs/dbraw/zinc/30/50/43/386305043.db2.gz IIQJHBXSUWXUAP-BFHYXJOUSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC[NH2+]1 ZINC000414738365 386317256 /nfs/dbraw/zinc/31/72/56/386317256.db2.gz JEPSASZRNGYPIY-PEBLQZBPSA-N 2 1 238.375 1.077 20 0 BDADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884612 386263297 /nfs/dbraw/zinc/26/32/97/386263297.db2.gz OVRNUHMXWHTYTD-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884612 386263299 /nfs/dbraw/zinc/26/32/99/386263299.db2.gz OVRNUHMXWHTYTD-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336653358 386268788 /nfs/dbraw/zinc/26/87/88/386268788.db2.gz YESKFSHIFRBIGX-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H](O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336653358 386268794 /nfs/dbraw/zinc/26/87/94/386268794.db2.gz YESKFSHIFRBIGX-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H](O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336653358 386268801 /nfs/dbraw/zinc/26/88/01/386268801.db2.gz YESKFSHIFRBIGX-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCOC2)C1 ZINC000336652933 386269462 /nfs/dbraw/zinc/26/94/62/386269462.db2.gz XFNFLRZJLQSUBP-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCOC2)C1 ZINC000336652933 386269465 /nfs/dbraw/zinc/26/94/65/386269465.db2.gz XFNFLRZJLQSUBP-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000336652933 386269469 /nfs/dbraw/zinc/26/94/69/386269469.db2.gz XFNFLRZJLQSUBP-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 ZINC000336652933 386269472 /nfs/dbraw/zinc/26/94/72/386269472.db2.gz XFNFLRZJLQSUBP-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000415003981 386269773 /nfs/dbraw/zinc/26/97/73/386269773.db2.gz GZNFSHXCVOVPAK-NEPJUHHUSA-N 2 1 248.374 1.507 20 0 BDADMP [NH3+]C[C@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000347235056 386275734 /nfs/dbraw/zinc/27/57/34/386275734.db2.gz ZZHIEFKJKFSMQJ-SNVBAGLBSA-N 2 1 234.299 1.196 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000347235056 386275739 /nfs/dbraw/zinc/27/57/39/386275739.db2.gz ZZHIEFKJKFSMQJ-SNVBAGLBSA-N 2 1 234.299 1.196 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC000336682730 386340488 /nfs/dbraw/zinc/34/04/88/386340488.db2.gz YPOJKIBVHYNFLB-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336682730 386340490 /nfs/dbraw/zinc/34/04/90/386340490.db2.gz YPOJKIBVHYNFLB-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336682730 386340495 /nfs/dbraw/zinc/34/04/95/386340495.db2.gz YPOJKIBVHYNFLB-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336682769 386340615 /nfs/dbraw/zinc/34/06/15/386340615.db2.gz FDABTLCNCJDMGS-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCCCO ZINC000414747074 386349961 /nfs/dbraw/zinc/34/99/61/386349961.db2.gz RQNNLLOVJUNXHZ-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCCCO ZINC000414747074 386349965 /nfs/dbraw/zinc/34/99/65/386349965.db2.gz RQNNLLOVJUNXHZ-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336732318 386386880 /nfs/dbraw/zinc/38/68/80/386386880.db2.gz ZJGASPQDDGYSEA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336732318 386386887 /nfs/dbraw/zinc/38/68/87/386386887.db2.gz ZJGASPQDDGYSEA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336732318 386386889 /nfs/dbraw/zinc/38/68/89/386386889.db2.gz ZJGASPQDDGYSEA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336732318 386386893 /nfs/dbraw/zinc/38/68/93/386386893.db2.gz ZJGASPQDDGYSEA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP COc1ccncc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000311187978 386369844 /nfs/dbraw/zinc/36/98/44/386369844.db2.gz CWPKGSHYJOUWNZ-NEPJUHHUSA-N 2 1 249.358 1.507 20 0 BDADMP COc1ccncc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000311187978 386369850 /nfs/dbraw/zinc/36/98/50/386369850.db2.gz CWPKGSHYJOUWNZ-NEPJUHHUSA-N 2 1 249.358 1.507 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414906082 386372012 /nfs/dbraw/zinc/37/20/12/386372012.db2.gz ORYNMTRTTLIXDQ-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414906082 386372014 /nfs/dbraw/zinc/37/20/14/386372014.db2.gz ORYNMTRTTLIXDQ-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414906082 386372018 /nfs/dbraw/zinc/37/20/18/386372018.db2.gz ORYNMTRTTLIXDQ-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(CCOCC(C)C)C1 ZINC000336695644 386373536 /nfs/dbraw/zinc/37/35/36/386373536.db2.gz OAUFIPJPQSLWNE-CQSZACIVSA-N 2 1 242.407 1.933 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCC(C)C)C1 ZINC000336695644 386373542 /nfs/dbraw/zinc/37/35/42/386373542.db2.gz OAUFIPJPQSLWNE-CQSZACIVSA-N 2 1 242.407 1.933 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCC(C)C)C1 ZINC000336695644 386373544 /nfs/dbraw/zinc/37/35/44/386373544.db2.gz OAUFIPJPQSLWNE-CQSZACIVSA-N 2 1 242.407 1.933 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000336695644 386373548 /nfs/dbraw/zinc/37/35/48/386373548.db2.gz OAUFIPJPQSLWNE-CQSZACIVSA-N 2 1 242.407 1.933 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000336695644 386373556 /nfs/dbraw/zinc/37/35/56/386373556.db2.gz OAUFIPJPQSLWNE-CQSZACIVSA-N 2 1 242.407 1.933 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414767188 386439087 /nfs/dbraw/zinc/43/90/87/386439087.db2.gz IPCQQBHSMYRYRP-YRGRVCCFSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H]1C[C@@H](C[N@@H+](C)C2CC([NH3+])C2)CCO1 ZINC000414768079 386442781 /nfs/dbraw/zinc/44/27/81/386442781.db2.gz HEWVPTLLSVDGHJ-WTIISPKJSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414908351 386395637 /nfs/dbraw/zinc/39/56/37/386395637.db2.gz BIAHDVIRPWOHPR-SCRDCRAPSA-N 2 1 240.391 1.779 20 0 BDADMP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000336705521 386396590 /nfs/dbraw/zinc/39/65/90/386396590.db2.gz QTCUETDXZXBPMC-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP COCC[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000336705521 386396595 /nfs/dbraw/zinc/39/65/95/386396595.db2.gz QTCUETDXZXBPMC-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1ccc(CCC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000339407082 386411018 /nfs/dbraw/zinc/41/10/18/386411018.db2.gz KWWDFFBUYCNOTN-DZGCQCFKSA-N 2 1 247.386 1.992 20 0 BDADMP C[C@H](Cc1ccccc1)C[N@H+](CC[NH3+])CCO ZINC000414909215 386413426 /nfs/dbraw/zinc/41/34/26/386413426.db2.gz GDUXGIVVICNKJP-CYBMUJFWSA-N 2 1 236.359 1.118 20 0 BDADMP C[C@H](Cc1ccccc1)C[N@@H+](CC[NH3+])CCO ZINC000414909215 386413434 /nfs/dbraw/zinc/41/34/34/386413434.db2.gz GDUXGIVVICNKJP-CYBMUJFWSA-N 2 1 236.359 1.118 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(O)CCCC2)C1 ZINC000336707715 386413760 /nfs/dbraw/zinc/41/37/60/386413760.db2.gz HMYHKABDRGEOAI-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000336707715 386413766 /nfs/dbraw/zinc/41/37/66/386413766.db2.gz HMYHKABDRGEOAI-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(O)CCCC2)C1 ZINC000336707715 386413774 /nfs/dbraw/zinc/41/37/74/386413774.db2.gz HMYHKABDRGEOAI-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414909721 386415212 /nfs/dbraw/zinc/41/52/12/386415212.db2.gz CFXRFLQTAJEATB-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414760444 386415432 /nfs/dbraw/zinc/41/54/32/386415432.db2.gz GXMKFEIRTYQFKD-CYBMUJFWSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)C[C@@H](N)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414760444 386415436 /nfs/dbraw/zinc/41/54/36/386415436.db2.gz GXMKFEIRTYQFKD-CYBMUJFWSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)C[C@@H](N)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414760444 386415450 /nfs/dbraw/zinc/41/54/50/386415450.db2.gz GXMKFEIRTYQFKD-CYBMUJFWSA-N 2 1 239.407 1.435 20 0 BDADMP CCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429233 386420442 /nfs/dbraw/zinc/42/04/42/386420442.db2.gz QRLOQQYHIRICFZ-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339429233 386420446 /nfs/dbraw/zinc/42/04/46/386420446.db2.gz QRLOQQYHIRICFZ-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339429233 386420451 /nfs/dbraw/zinc/42/04/51/386420451.db2.gz QRLOQQYHIRICFZ-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCOC2)CC[N@@H+]1C ZINC000336712930 386428895 /nfs/dbraw/zinc/42/88/95/386428895.db2.gz RZXTUEWKHMFVSG-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCOC2)CC[N@H+]1C ZINC000336712930 386428899 /nfs/dbraw/zinc/42/88/99/386428899.db2.gz RZXTUEWKHMFVSG-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCOC2)CC[NH+]1C ZINC000336712930 386428901 /nfs/dbraw/zinc/42/89/01/386428901.db2.gz RZXTUEWKHMFVSG-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCOC2)CC[NH+]1C ZINC000336712930 386428905 /nfs/dbraw/zinc/42/89/05/386428905.db2.gz RZXTUEWKHMFVSG-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414910350 386436287 /nfs/dbraw/zinc/43/62/87/386436287.db2.gz CLJLGUDFTAHKQK-DGAVXFQQSA-N 2 1 240.391 1.779 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCOCC12CCCC2 ZINC000334625485 386483369 /nfs/dbraw/zinc/48/33/69/386483369.db2.gz NBOHERXGHTWBHP-ZDUSSCGKSA-N 2 1 238.375 1.631 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCOCC12CCCC2 ZINC000334625485 386483376 /nfs/dbraw/zinc/48/33/76/386483376.db2.gz NBOHERXGHTWBHP-ZDUSSCGKSA-N 2 1 238.375 1.631 20 0 BDADMP CCCN1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415043353 386529669 /nfs/dbraw/zinc/52/96/69/386529669.db2.gz RTRNRQFAOSUUDY-JSGCOSHPSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415017693 386503885 /nfs/dbraw/zinc/50/38/85/386503885.db2.gz QKBRCYBPDWGHDN-ZJUUUORDSA-N 2 1 210.296 1.959 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)nc(C)n2)C1 ZINC000267181016 386506720 /nfs/dbraw/zinc/50/67/20/386506720.db2.gz BPAFIBRPYVJMOG-ZDUSSCGKSA-N 2 1 248.374 1.871 20 0 BDADMP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000267181016 386506726 /nfs/dbraw/zinc/50/67/26/386506726.db2.gz BPAFIBRPYVJMOG-ZDUSSCGKSA-N 2 1 248.374 1.871 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000267181016 386506731 /nfs/dbraw/zinc/50/67/31/386506731.db2.gz BPAFIBRPYVJMOG-ZDUSSCGKSA-N 2 1 248.374 1.871 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000415052065 386508593 /nfs/dbraw/zinc/50/85/93/386508593.db2.gz GYOHNRHRPFXNSI-RVMXOQNASA-N 2 1 226.364 1.613 20 0 BDADMP CC[C@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000415052063 386509083 /nfs/dbraw/zinc/50/90/83/386509083.db2.gz GYOHNRHRPFXNSI-CYDGBPFRSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000340371804 386514103 /nfs/dbraw/zinc/51/41/03/386514103.db2.gz QDYOJEIWTKMTRF-CHWSQXEVSA-N 2 1 236.363 1.346 20 0 BDADMP C[N@@H+](Cc1ccnc(N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000278344097 386515061 /nfs/dbraw/zinc/51/50/61/386515061.db2.gz GAIONLUXZUDXSM-CYBMUJFWSA-N 2 1 248.374 1.437 20 0 BDADMP C[N@H+](Cc1ccnc(N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000278344097 386515068 /nfs/dbraw/zinc/51/50/68/386515068.db2.gz GAIONLUXZUDXSM-CYBMUJFWSA-N 2 1 248.374 1.437 20 0 BDADMP C[NH+](Cc1ccnc(N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000278344097 386515074 /nfs/dbraw/zinc/51/50/74/386515074.db2.gz GAIONLUXZUDXSM-CYBMUJFWSA-N 2 1 248.374 1.437 20 0 BDADMP C[NH+](Cc1ccnc(N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000278344097 386515081 /nfs/dbraw/zinc/51/50/81/386515081.db2.gz GAIONLUXZUDXSM-CYBMUJFWSA-N 2 1 248.374 1.437 20 0 BDADMP Cc1ccncc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000135500291 386519586 /nfs/dbraw/zinc/51/95/86/386519586.db2.gz LEDYLPMGEMEOQK-OLZOCXBDSA-N 2 1 233.359 1.949 20 0 BDADMP CCCc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415034816 386521482 /nfs/dbraw/zinc/52/14/82/386521482.db2.gz JWDBFLIVYYEBML-FICVDOATSA-N 2 1 230.355 1.947 20 0 BDADMP C(=C\c1ccccc1)\C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415037992 386523567 /nfs/dbraw/zinc/52/35/67/386523567.db2.gz LRQBWRTUTBWECB-UVCVVPOWSA-N 2 1 246.354 1.668 20 0 BDADMP CC[N@@H+](CCn1ccnc1)C[C@H](C)OC ZINC000291230776 386525676 /nfs/dbraw/zinc/52/56/76/386525676.db2.gz MIAHYYFKFQCJMN-NSHDSACASA-N 2 1 211.309 1.240 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770220 386456016 /nfs/dbraw/zinc/45/60/16/386456016.db2.gz XVGDKWXUCNRTSF-NWDGAFQWSA-N 2 1 236.363 1.240 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415074293 386575171 /nfs/dbraw/zinc/57/51/71/386575171.db2.gz CGCOERKZDCZCHT-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977533 386578367 /nfs/dbraw/zinc/57/83/67/386578367.db2.gz DBRVSPFNYLFKKP-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCSC1 ZINC000414921305 386581464 /nfs/dbraw/zinc/58/14/64/386581464.db2.gz DJDSMMHDURODGZ-OUAUKWLOSA-N 2 1 214.378 1.470 20 0 BDADMP Cc1nc(F)ccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291787364 386582244 /nfs/dbraw/zinc/58/22/44/386582244.db2.gz VPXOHBBLLWZMAE-JTQLQIEISA-N 2 1 239.338 1.816 20 0 BDADMP c1nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c[nH]1 ZINC000335423762 386598769 /nfs/dbraw/zinc/59/87/69/386598769.db2.gz NOXPPSVRFQGFTK-KOLCDFICSA-N 2 1 207.277 1.021 20 0 BDADMP COc1cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414790867 386536410 /nfs/dbraw/zinc/53/64/10/386536410.db2.gz HCFZRLCIJUPHFJ-ZDUSSCGKSA-N 2 1 222.332 1.768 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCSC1)C1CCCC1 ZINC000415064574 386543613 /nfs/dbraw/zinc/54/36/13/386543613.db2.gz LBEOQXCUDUYGLU-JQWIXIFHSA-N 2 1 228.405 1.847 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415064564 386545177 /nfs/dbraw/zinc/54/51/77/386545177.db2.gz KZRIDLSGNUSPAC-WCQYABFASA-N 2 1 236.363 1.379 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000063223691 386547135 /nfs/dbraw/zinc/54/71/35/386547135.db2.gz SOVDBYKAIABSIZ-OCCSQVGLSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000063223691 386547138 /nfs/dbraw/zinc/54/71/38/386547138.db2.gz SOVDBYKAIABSIZ-OCCSQVGLSA-N 2 1 233.359 1.826 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000647995247 386547655 /nfs/dbraw/zinc/54/76/55/386547655.db2.gz IZWXZKPPCASQOD-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336780470 386554043 /nfs/dbraw/zinc/55/40/43/386554043.db2.gz RKQDHIZCNXUNFI-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CC(C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000061918609 386555248 /nfs/dbraw/zinc/55/52/48/386555248.db2.gz UQIHCRKOSLDHMB-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000061918609 386555253 /nfs/dbraw/zinc/55/52/53/386555253.db2.gz UQIHCRKOSLDHMB-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@H]1CCOC1 ZINC000414794633 386559730 /nfs/dbraw/zinc/55/97/30/386559730.db2.gz VVHBCRZSQNZAEA-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@H]1CCOC1 ZINC000414794633 386559732 /nfs/dbraw/zinc/55/97/32/386559732.db2.gz VVHBCRZSQNZAEA-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H](CC[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415072569 386562160 /nfs/dbraw/zinc/56/21/60/386562160.db2.gz WUSWUYDDFLREDZ-JSGCOSHPSA-N 2 1 236.359 1.432 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647976702 386570273 /nfs/dbraw/zinc/57/02/73/386570273.db2.gz SENBRTYWMCIFRP-QWHCGFSZSA-N 2 1 249.358 1.886 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000414796870 386570811 /nfs/dbraw/zinc/57/08/11/386570811.db2.gz ICOJDROGJNZYSX-CQSZACIVSA-N 2 1 216.328 1.481 20 0 BDADMP C1[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H]1C1CCCCC1 ZINC000415110118 386620659 /nfs/dbraw/zinc/62/06/59/386620659.db2.gz QBMOFHRVWNBZIR-AVGNSLFASA-N 2 1 208.349 1.907 20 0 BDADMP C1[C@@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H]1C1CCCCC1 ZINC000415110120 386621200 /nfs/dbraw/zinc/62/12/00/386621200.db2.gz QBMOFHRVWNBZIR-FRRDWIJNSA-N 2 1 208.349 1.907 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000414808907 386624612 /nfs/dbraw/zinc/62/46/12/386624612.db2.gz LJRWINHYWPHTCZ-CHWSQXEVSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000300900126 386630514 /nfs/dbraw/zinc/63/05/14/386630514.db2.gz VZKYISKZYHTMRK-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]([NH3+])c1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414811625 386636084 /nfs/dbraw/zinc/63/60/84/386636084.db2.gz PZTASMLQRGKKIM-GXTWGEPZSA-N 2 1 247.386 1.796 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(C[NH3+])CC1 ZINC000414813734 386637727 /nfs/dbraw/zinc/63/77/27/386637727.db2.gz MSWWRSDACOZMTL-WXRRBKDZSA-N 3 1 227.396 1.611 20 0 BDADMP CC[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000415132962 386639353 /nfs/dbraw/zinc/63/93/53/386639353.db2.gz DEFFGIIIPBKEIV-ZOBORPQBSA-N 2 1 240.391 1.922 20 0 BDADMP Cc1ccc(F)cc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414812162 386639908 /nfs/dbraw/zinc/63/99/08/386639908.db2.gz WYYBUJRUOWKOGM-CYBMUJFWSA-N 2 1 222.307 1.961 20 0 BDADMP C[C@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCC[NH2+]1 ZINC000335509213 386642743 /nfs/dbraw/zinc/64/27/43/386642743.db2.gz BGTWQGIHJLCYHP-QPBDYMMBSA-N 2 1 200.301 1.607 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C1CCOCC1 ZINC000062767652 386599546 /nfs/dbraw/zinc/59/95/46/386599546.db2.gz ZMELBYNSZCBGJN-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C1CCOCC1 ZINC000062767652 386599551 /nfs/dbraw/zinc/59/95/51/386599551.db2.gz ZMELBYNSZCBGJN-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414801761 386604197 /nfs/dbraw/zinc/60/41/97/386604197.db2.gz MDWNOSYBGPQLIR-AWEZNQCLSA-N 2 1 247.342 1.472 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC000278934332 386610201 /nfs/dbraw/zinc/61/02/01/386610201.db2.gz WQYRIOWUBMZOJX-CYBMUJFWSA-N 2 1 248.374 1.580 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC000278934332 386610207 /nfs/dbraw/zinc/61/02/07/386610207.db2.gz WQYRIOWUBMZOJX-CYBMUJFWSA-N 2 1 248.374 1.580 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414805250 386612720 /nfs/dbraw/zinc/61/27/20/386612720.db2.gz PKWCJLHZTCMKLO-CYBMUJFWSA-N 2 1 248.326 1.300 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3C[C@H]2CS3)CC[NH2+]1 ZINC000415108996 386617586 /nfs/dbraw/zinc/61/75/86/386617586.db2.gz LLTUIYZNMKWGTI-USZNOCQGSA-N 2 1 226.389 1.564 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503692 386661578 /nfs/dbraw/zinc/66/15/78/386661578.db2.gz SVPGHCZWYSZFBE-DGCLKSJQSA-N 2 1 241.379 1.104 20 0 BDADMP C[NH2+]CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414820664 386663654 /nfs/dbraw/zinc/66/36/54/386663654.db2.gz CNMJEXLKZCGXDO-DZGCQCFKSA-N 2 1 247.386 1.631 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CCO)CC2)c2ccccc21 ZINC000097817691 386664882 /nfs/dbraw/zinc/66/48/82/386664882.db2.gz IIYJZIFTUBWIKK-UONOGXRCSA-N 2 1 246.354 1.883 20 0 BDADMP C1C[C@]2(CO1)CCC[N@H+]([C@H]1CCC[NH2+]CC1)C2 ZINC000335525691 386669336 /nfs/dbraw/zinc/66/93/36/386669336.db2.gz PSBLZUOIWQIBSG-UONOGXRCSA-N 2 1 238.375 1.631 20 0 BDADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414823798 386680445 /nfs/dbraw/zinc/68/04/45/386680445.db2.gz DWODGWSLHQGUTO-SNVBAGLBSA-N 2 1 239.388 1.795 20 0 BDADMP COC[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337268900 386685738 /nfs/dbraw/zinc/68/57/38/386685738.db2.gz LCWCJUVSSYPXSF-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000042466612 386686686 /nfs/dbraw/zinc/68/66/86/386686686.db2.gz FYAUPBBJHNIWSV-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCO)cc1 ZINC000268734815 386690391 /nfs/dbraw/zinc/69/03/91/386690391.db2.gz NOFZDISKBLTSQU-LLVKDONJSA-N 2 1 245.326 1.824 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH3+])C2)c1C ZINC000050243861 386692677 /nfs/dbraw/zinc/69/26/77/386692677.db2.gz UKNANFUMBSCLCA-LLVKDONJSA-N 2 1 235.331 1.240 20 0 BDADMP Cc1c([C@H](C)N[C@H]2C[N@@H+](C)C[C@H]2C)cnn1C ZINC000352846366 386711939 /nfs/dbraw/zinc/71/19/39/386711939.db2.gz OGWRSDJFZKCQOT-NRUUGDAUSA-N 2 1 236.363 1.329 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302238940 386702831 /nfs/dbraw/zinc/70/28/31/386702831.db2.gz CDZRHEQTEXXIKU-AWEZNQCLSA-N 2 1 240.391 1.864 20 0 BDADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357089302 386706397 /nfs/dbraw/zinc/70/63/97/386706397.db2.gz PKPPPFDZIXZXAC-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCSC1 ZINC000414840579 386737818 /nfs/dbraw/zinc/73/78/18/386737818.db2.gz MMBRQEOOVBTUKV-QWRGUYRKSA-N 2 1 216.394 1.845 20 0 BDADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C1 ZINC000357090224 386714396 /nfs/dbraw/zinc/71/43/96/386714396.db2.gz ZZFYZHLQKHADOA-NEPJUHHUSA-N 2 1 246.420 1.568 20 0 BDADMP CCNCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414839294 386740787 /nfs/dbraw/zinc/74/07/87/386740787.db2.gz FWYFSFCYBVOKEW-QJPTWQEYSA-N 2 1 224.348 1.143 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414839294 386740792 /nfs/dbraw/zinc/74/07/92/386740792.db2.gz FWYFSFCYBVOKEW-QJPTWQEYSA-N 2 1 224.348 1.143 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000425940117 386754024 /nfs/dbraw/zinc/75/40/24/386754024.db2.gz VXJPTDPYBVOKSK-IHRRRGAJSA-N 2 1 241.423 1.504 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000425940117 386754027 /nfs/dbraw/zinc/75/40/27/386754027.db2.gz VXJPTDPYBVOKSK-IHRRRGAJSA-N 3 1 241.423 1.504 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000425940117 386754030 /nfs/dbraw/zinc/75/40/30/386754030.db2.gz VXJPTDPYBVOKSK-IHRRRGAJSA-N 3 1 241.423 1.504 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000425940119 386754614 /nfs/dbraw/zinc/75/46/14/386754614.db2.gz VXJPTDPYBVOKSK-MJBXVCDLSA-N 2 1 241.423 1.504 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000425940119 386754624 /nfs/dbraw/zinc/75/46/24/386754624.db2.gz VXJPTDPYBVOKSK-MJBXVCDLSA-N 3 1 241.423 1.504 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000425940119 386754630 /nfs/dbraw/zinc/75/46/30/386754630.db2.gz VXJPTDPYBVOKSK-MJBXVCDLSA-N 3 1 241.423 1.504 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414929835 386742290 /nfs/dbraw/zinc/74/22/90/386742290.db2.gz OFNYFMKUFKQZSJ-VMZHVLLKSA-N 2 1 208.280 1.776 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000414934285 386789967 /nfs/dbraw/zinc/78/99/67/386789967.db2.gz SSUITVGAPIXECM-OCCSQVGLSA-N 2 1 240.391 1.781 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000293102953 386775746 /nfs/dbraw/zinc/77/57/46/386775746.db2.gz PRENKGANPVXHIR-LBPRGKRZSA-N 2 1 219.332 1.778 20 0 BDADMP CCCC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000357637914 386820157 /nfs/dbraw/zinc/82/01/57/386820157.db2.gz QOBZUZQHJCTROY-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000334787867 386849040 /nfs/dbraw/zinc/84/90/40/386849040.db2.gz YPSNOVMPDQIKDL-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000358100029 386892147 /nfs/dbraw/zinc/89/21/47/386892147.db2.gz RPGDAVFMLDLKPT-GRYCIOLGSA-N 2 1 239.363 1.841 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000334845624 386893635 /nfs/dbraw/zinc/89/36/35/386893635.db2.gz YUPLHSSYWYQDHA-GFCCVEGCSA-N 2 1 237.322 1.698 20 0 BDADMP CC1([NH2+]Cc2cccc(O)c2)CC[NH2+]CC1 ZINC000334841395 386886218 /nfs/dbraw/zinc/88/62/18/386886218.db2.gz HNHVOXOXWSPMDZ-UHFFFAOYSA-N 2 1 220.316 1.624 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000335758814 386886544 /nfs/dbraw/zinc/88/65/44/386886544.db2.gz GQFGOVXMMIZZGJ-KGLIPLIRSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000335758814 386886548 /nfs/dbraw/zinc/88/65/48/386886548.db2.gz GQFGOVXMMIZZGJ-KGLIPLIRSA-N 3 1 237.391 1.202 20 0 BDADMP COc1ccccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414941607 386887357 /nfs/dbraw/zinc/88/73/57/386887357.db2.gz LTAHIQMHNONSRO-UHFFFAOYSA-N 2 1 234.343 1.927 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[NH+]1CCC([NH3+])CC1 ZINC000335760033 386889569 /nfs/dbraw/zinc/88/95/69/386889569.db2.gz HBDFAZYENNYATQ-UHFFFAOYSA-N 2 1 236.363 1.630 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000366732963 386914803 /nfs/dbraw/zinc/91/48/03/386914803.db2.gz YNHUEXFQSVABJG-WCQYABFASA-N 2 1 249.358 1.460 20 0 BDADMP CN(C)c1ccnc(N(C)CC[N@@H+](C)C2CC2)n1 ZINC000302255912 386919715 /nfs/dbraw/zinc/91/97/15/386919715.db2.gz OIUPWTKBBKWQOW-UHFFFAOYSA-N 2 1 249.362 1.073 20 0 BDADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000334867036 386923415 /nfs/dbraw/zinc/92/34/15/386923415.db2.gz ZESWZQAYAPSGEL-BPCQOVAHSA-N 3 1 239.407 1.624 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000395192497 386979641 /nfs/dbraw/zinc/97/96/41/386979641.db2.gz QTXXFCOYTVBETF-RAIGVLPGSA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000395192498 386981260 /nfs/dbraw/zinc/98/12/60/386981260.db2.gz QTXXFCOYTVBETF-WCFLWFBJSA-N 2 1 226.364 1.532 20 0 BDADMP COCC(C)(C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425959260 387049251 /nfs/dbraw/zinc/04/92/51/387049251.db2.gz RPTSZJXXGWIJAN-TXEJJXNPSA-N 2 1 226.364 1.152 20 0 BDADMP COCC(C)(C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425959260 387049262 /nfs/dbraw/zinc/04/92/62/387049262.db2.gz RPTSZJXXGWIJAN-TXEJJXNPSA-N 2 1 226.364 1.152 20 0 BDADMP Cc1cc(C2CCN(C[C@@H](C)[NH3+])CC2)[nH]n1 ZINC000334968797 387052176 /nfs/dbraw/zinc/05/21/76/387052176.db2.gz NCEULEZVJVTGCF-SECBINFHSA-N 2 1 222.336 1.245 20 0 BDADMP C[C@@]1(F)CNCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334969259 387052681 /nfs/dbraw/zinc/05/26/81/387052681.db2.gz BKTKSJWRVHPOKO-CHWSQXEVSA-N 3 1 243.370 1.010 20 0 BDADMP C[C@@]1(F)C[NH2+]CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000334969259 387052682 /nfs/dbraw/zinc/05/26/82/387052682.db2.gz BKTKSJWRVHPOKO-CHWSQXEVSA-N 3 1 243.370 1.010 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000333787269 387057098 /nfs/dbraw/zinc/05/70/98/387057098.db2.gz FOOLIGQSJDYNNB-SDDRHHMPSA-N 2 1 234.347 1.435 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000228037017 387061594 /nfs/dbraw/zinc/06/15/94/387061594.db2.gz DHJZECHXPNMWAW-YNEHKIRRSA-N 2 1 226.364 1.364 20 0 BDADMP c1ncn([C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000368863879 387016743 /nfs/dbraw/zinc/01/67/43/387016743.db2.gz WGCUSVVCNOEPHS-CYBMUJFWSA-N 2 1 249.362 1.011 20 0 BDADMP c1ncn([C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000368863879 387016746 /nfs/dbraw/zinc/01/67/46/387016746.db2.gz WGCUSVVCNOEPHS-CYBMUJFWSA-N 2 1 249.362 1.011 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nccn1C ZINC000519156899 387019889 /nfs/dbraw/zinc/01/98/89/387019889.db2.gz ZXBUQOMQEAYKPO-LLVKDONJSA-N 2 1 244.342 1.730 20 0 BDADMP Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000333287928 387024498 /nfs/dbraw/zinc/02/44/98/387024498.db2.gz NUIWEEYFLHGONB-RWMBFGLXSA-N 2 1 248.374 1.731 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@H]1CCCC[NH2+]1 ZINC000333344066 387028619 /nfs/dbraw/zinc/02/86/19/387028619.db2.gz YTPWISBWASLALW-CYZMBNFOSA-N 2 1 248.374 1.387 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000334980287 387068698 /nfs/dbraw/zinc/06/86/98/387068698.db2.gz MBPJUUKJQFVGAP-NWDGAFQWSA-N 2 1 235.331 1.496 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334983745 387071817 /nfs/dbraw/zinc/07/18/17/387071817.db2.gz NKVCOHOCKFBTJU-JSGCOSHPSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334983745 387071819 /nfs/dbraw/zinc/07/18/19/387071819.db2.gz NKVCOHOCKFBTJU-JSGCOSHPSA-N 2 1 249.358 1.947 20 0 BDADMP Cn1cc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000334994101 387083626 /nfs/dbraw/zinc/08/36/26/387083626.db2.gz UACWWXLVRZLMHF-CQSZACIVSA-N 2 1 248.374 1.038 20 0 BDADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000334994004 387084311 /nfs/dbraw/zinc/08/43/11/387084311.db2.gz REJSFCLWXLZLOX-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423299961 387131307 /nfs/dbraw/zinc/13/13/07/387131307.db2.gz QOXGNBHIVFQXMO-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP CCN(CC)CC(=O)Nc1ccnc(C)c1 ZINC000068014685 387100683 /nfs/dbraw/zinc/10/06/83/387100683.db2.gz JVJKNRQOZSWTMQ-UHFFFAOYSA-N 2 1 221.304 1.670 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC000228538631 387101939 /nfs/dbraw/zinc/10/19/39/387101939.db2.gz GNMZVQZSKOPIIK-REWJHTLYSA-N 2 1 238.375 1.472 20 0 BDADMP C[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523924 387107939 /nfs/dbraw/zinc/10/79/39/387107939.db2.gz NDXVBZKVEVGYFH-YHWZYXNKSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCSC1)c1c[nH+]ccc1N ZINC000335025471 387117039 /nfs/dbraw/zinc/11/70/39/387117039.db2.gz SWMFGGOZFCEJHL-BDAKNGLRSA-N 2 1 223.345 1.650 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc(C)n1 ZINC000335027740 387120876 /nfs/dbraw/zinc/12/08/76/387120876.db2.gz IULPLKNWASQXQN-QWHCGFSZSA-N 2 1 219.332 1.668 20 0 BDADMP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335029215 387122142 /nfs/dbraw/zinc/12/21/42/387122142.db2.gz GYNLAMSIEATLLI-DZGCQCFKSA-N 2 1 246.354 1.642 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000335028697 387122442 /nfs/dbraw/zinc/12/24/42/387122442.db2.gz YUYLERONAYHDKK-STQMWFEESA-N 2 1 219.332 1.668 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250402422 387124731 /nfs/dbraw/zinc/12/47/31/387124731.db2.gz MKZGFYPQAFLVNI-HABKJSAYSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000359587988 387129526 /nfs/dbraw/zinc/12/95/26/387129526.db2.gz WUQDZGHLYIKYDW-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP CC(C)CCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000119539679 387142040 /nfs/dbraw/zinc/14/20/40/387142040.db2.gz ZLPXPYNSUMJCRN-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP CCCCO[C@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423315619 387157186 /nfs/dbraw/zinc/15/71/86/387157186.db2.gz ABGWSNOSCURIOE-UTUOFQBUSA-N 2 1 228.380 1.907 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423316626 387157826 /nfs/dbraw/zinc/15/78/26/387157826.db2.gz BXSRDDYIGZNZHL-AVGNSLFASA-N 3 1 225.380 1.188 20 0 BDADMP CN1CC[C@H]([NH2+]CCCC[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423316626 387157829 /nfs/dbraw/zinc/15/78/29/387157829.db2.gz BXSRDDYIGZNZHL-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)CO[C@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423320426 387161587 /nfs/dbraw/zinc/16/15/87/387161587.db2.gz GKGVJPKEKJRYKH-UTUOFQBUSA-N 2 1 228.380 1.763 20 0 BDADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423319539 387163051 /nfs/dbraw/zinc/16/30/51/387163051.db2.gz LQIFKOWFYMVULP-ZWNOBZJWSA-N 2 1 219.332 1.778 20 0 BDADMP Cc1cncc([C@@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000423323386 387166867 /nfs/dbraw/zinc/16/68/67/387166867.db2.gz JHRCHQUMDMOSTI-LLVKDONJSA-N 2 1 219.332 1.922 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000229395193 387168610 /nfs/dbraw/zinc/16/86/10/387168610.db2.gz WSQIXEOSQQLNLT-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000229395193 387168614 /nfs/dbraw/zinc/16/86/14/387168614.db2.gz WSQIXEOSQQLNLT-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000229395193 387168618 /nfs/dbraw/zinc/16/86/18/387168618.db2.gz WSQIXEOSQQLNLT-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H](CN)C1CC1 ZINC000359876331 387181896 /nfs/dbraw/zinc/18/18/96/387181896.db2.gz LGDWGLJRYLPYHG-CYBMUJFWSA-N 2 1 225.380 1.045 20 0 BDADMP CN(CCC1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000359876331 387181901 /nfs/dbraw/zinc/18/19/01/387181901.db2.gz LGDWGLJRYLPYHG-CYBMUJFWSA-N 2 1 225.380 1.045 20 0 BDADMP CCOc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000162016505 387138811 /nfs/dbraw/zinc/13/88/11/387138811.db2.gz KHVBCAMLVMNMPB-SNVBAGLBSA-N 2 1 208.305 1.522 20 0 BDADMP CC1(C)[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]2CCCO[C@H]21 ZINC000423305479 387139133 /nfs/dbraw/zinc/13/91/33/387139133.db2.gz QSULZDFQPKPGBW-WUHRBBMRSA-N 2 1 238.375 1.532 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423306386 387141225 /nfs/dbraw/zinc/14/12/25/387141225.db2.gz DXQVNRCTJRGOSY-JHJVBQTASA-N 2 1 240.391 1.779 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423355432 387205808 /nfs/dbraw/zinc/20/58/08/387205808.db2.gz FLGVDRNFKQILJC-MCIONIFRSA-N 2 1 237.391 1.345 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423355432 387205810 /nfs/dbraw/zinc/20/58/10/387205810.db2.gz FLGVDRNFKQILJC-MCIONIFRSA-N 3 1 237.391 1.345 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423355432 387205812 /nfs/dbraw/zinc/20/58/12/387205812.db2.gz FLGVDRNFKQILJC-MCIONIFRSA-N 3 1 237.391 1.345 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423355239 387205892 /nfs/dbraw/zinc/20/58/92/387205892.db2.gz OSCOZKKZHSHQAL-ILXRZTDVSA-N 3 1 249.402 1.369 20 0 BDADMP CN1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423355239 387205895 /nfs/dbraw/zinc/20/58/95/387205895.db2.gz OSCOZKKZHSHQAL-ILXRZTDVSA-N 2 1 249.402 1.369 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423356314 387208209 /nfs/dbraw/zinc/20/82/09/387208209.db2.gz GMTFSATUTVKATG-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336379558 387209063 /nfs/dbraw/zinc/20/90/63/387209063.db2.gz ULASZLQHLOSEJB-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336379558 387209066 /nfs/dbraw/zinc/20/90/66/387209066.db2.gz ULASZLQHLOSEJB-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336379558 387209068 /nfs/dbraw/zinc/20/90/68/387209068.db2.gz ULASZLQHLOSEJB-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423362606 387214134 /nfs/dbraw/zinc/21/41/34/387214134.db2.gz NCZXOKYFTANSTE-CMPLNLGQSA-N 2 1 236.363 1.521 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365927 387219233 /nfs/dbraw/zinc/21/92/33/387219233.db2.gz CFFKMOJDJLFMHK-BYNQJWBRSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365927 387219235 /nfs/dbraw/zinc/21/92/35/387219235.db2.gz CFFKMOJDJLFMHK-BYNQJWBRSA-N 2 1 237.391 1.199 20 0 BDADMP Cc1cnn(CC[N@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000572012938 387219607 /nfs/dbraw/zinc/21/96/07/387219607.db2.gz ZZGHCZPJHMZVAM-UONOGXRCSA-N 2 1 248.374 1.360 20 0 BDADMP Cc1cnn(CC[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000572012938 387219612 /nfs/dbraw/zinc/21/96/12/387219612.db2.gz ZZGHCZPJHMZVAM-UONOGXRCSA-N 2 1 248.374 1.360 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C12CCCC2 ZINC000423368585 387221738 /nfs/dbraw/zinc/22/17/38/387221738.db2.gz NJLTZGNLRMHOSQ-SDDRHHMPSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000423369321 387222001 /nfs/dbraw/zinc/22/20/01/387222001.db2.gz OHHAJYIUWHCVFB-NRUUGDAUSA-N 2 1 204.317 1.857 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423371308 387224730 /nfs/dbraw/zinc/22/47/30/387224730.db2.gz VBXOYFGMNUOFON-YPMHNXCESA-N 2 1 248.374 1.529 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423373238 387229517 /nfs/dbraw/zinc/22/95/17/387229517.db2.gz WMPYEBJGGBBJDW-SRVKXCTJSA-N 2 1 214.353 1.389 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000360149791 387233810 /nfs/dbraw/zinc/23/38/10/387233810.db2.gz JRLTWVHJJXFDCN-LBPRGKRZSA-N 2 1 248.374 1.482 20 0 BDADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423407587 387244088 /nfs/dbraw/zinc/24/40/88/387244088.db2.gz WAWUPMYZFMMCIJ-LOWVWBTDSA-N 2 1 222.332 1.699 20 0 BDADMP COC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C(C)C ZINC000423410926 387246110 /nfs/dbraw/zinc/24/61/10/387246110.db2.gz ASANTDRGZBENFR-QWHCGFSZSA-N 2 1 244.379 1.016 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423410321 387247107 /nfs/dbraw/zinc/24/71/07/387247107.db2.gz ZZEFKECNULSFNL-IKOXMDCHSA-N 2 1 239.407 1.303 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423410321 387247109 /nfs/dbraw/zinc/24/71/09/387247109.db2.gz ZZEFKECNULSFNL-IKOXMDCHSA-N 3 1 239.407 1.303 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423410321 387247111 /nfs/dbraw/zinc/24/71/11/387247111.db2.gz ZZEFKECNULSFNL-IKOXMDCHSA-N 3 1 239.407 1.303 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120485753 387250080 /nfs/dbraw/zinc/25/00/80/387250080.db2.gz WKCBODQILZNXLW-CQSZACIVSA-N 2 1 241.423 1.602 20 0 BDADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423425003 387252070 /nfs/dbraw/zinc/25/20/70/387252070.db2.gz GGMDRNGGILOWOY-LJISPDSOSA-N 2 1 228.339 1.790 20 0 BDADMP Cc1cc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cs1 ZINC000423427725 387252325 /nfs/dbraw/zinc/25/23/25/387252325.db2.gz JOEJWMYHYFBKPV-OHBODLIOSA-N 2 1 222.357 1.925 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423348894 387200081 /nfs/dbraw/zinc/20/00/81/387200081.db2.gz UTLYSCZYOSXTEX-RDBSUJKOSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000423380294 387262695 /nfs/dbraw/zinc/26/26/95/387262695.db2.gz NSFVDOAVBVENSK-DHGKCCLASA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000423380294 387262699 /nfs/dbraw/zinc/26/26/99/387262699.db2.gz NSFVDOAVBVENSK-DHGKCCLASA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000423380294 387262706 /nfs/dbraw/zinc/26/27/06/387262706.db2.gz NSFVDOAVBVENSK-DHGKCCLASA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423468922 387317630 /nfs/dbraw/zinc/31/76/30/387317630.db2.gz JYMYRUJHCYLQBA-YIYPIFLZSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CCN1C ZINC000423468922 387317633 /nfs/dbraw/zinc/31/76/33/387317633.db2.gz JYMYRUJHCYLQBA-YIYPIFLZSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CCCO1 ZINC000423394261 387281674 /nfs/dbraw/zinc/28/16/74/387281674.db2.gz RXAATOJLNOZPMY-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@H]1CCOC1 ZINC000360416335 387281618 /nfs/dbraw/zinc/28/16/18/387281618.db2.gz GHOORAZAQHVHSO-MELADBBJSA-N 2 1 240.391 1.731 20 0 BDADMP CCC(CC)[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000514737609 387283935 /nfs/dbraw/zinc/28/39/35/387283935.db2.gz PNDFWHNCOIGCLH-ZDUSSCGKSA-N 2 1 230.396 1.810 20 0 BDADMP CCC(CC)[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000514737609 387283939 /nfs/dbraw/zinc/28/39/39/387283939.db2.gz PNDFWHNCOIGCLH-ZDUSSCGKSA-N 2 1 230.396 1.810 20 0 BDADMP CCC(CC)[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000514737609 387283944 /nfs/dbraw/zinc/28/39/44/387283944.db2.gz PNDFWHNCOIGCLH-ZDUSSCGKSA-N 2 1 230.396 1.810 20 0 BDADMP CCC(CC)[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000514737609 387283948 /nfs/dbraw/zinc/28/39/48/387283948.db2.gz PNDFWHNCOIGCLH-ZDUSSCGKSA-N 2 1 230.396 1.810 20 0 BDADMP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423443220 387293001 /nfs/dbraw/zinc/29/30/01/387293001.db2.gz VOAFPZOGGTYXSW-BARDWOONSA-N 2 1 244.338 1.577 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423444587 387294749 /nfs/dbraw/zinc/29/47/49/387294749.db2.gz BCFKNXMMTDFWMJ-VNHYZAJKSA-N 3 1 249.402 1.662 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000423450050 387299516 /nfs/dbraw/zinc/29/95/16/387299516.db2.gz HCIYYMJDEQVWHE-SRVKXCTJSA-N 2 1 213.369 1.234 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000423523334 387355115 /nfs/dbraw/zinc/35/51/15/387355115.db2.gz IFZIYQWFGMNSIW-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360859763 387359334 /nfs/dbraw/zinc/35/93/34/387359334.db2.gz OEKSEDNANPZBDU-UPJWGTAASA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360859763 387359338 /nfs/dbraw/zinc/35/93/38/387359338.db2.gz OEKSEDNANPZBDU-UPJWGTAASA-N 2 1 248.374 1.480 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423541184 387366306 /nfs/dbraw/zinc/36/63/06/387366306.db2.gz FIRTWWLCBPEPRT-LPWJVIDDSA-N 2 1 226.364 1.532 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000360928517 387368036 /nfs/dbraw/zinc/36/80/36/387368036.db2.gz BMGOUZFZERTTDL-UONOGXRCSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000360928517 387368041 /nfs/dbraw/zinc/36/80/41/387368041.db2.gz BMGOUZFZERTTDL-UONOGXRCSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000360928517 387368046 /nfs/dbraw/zinc/36/80/46/387368046.db2.gz BMGOUZFZERTTDL-UONOGXRCSA-N 2 1 241.423 1.789 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000360928516 387368101 /nfs/dbraw/zinc/36/81/01/387368101.db2.gz BMGOUZFZERTTDL-KBPBESRZSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000360928516 387368105 /nfs/dbraw/zinc/36/81/05/387368105.db2.gz BMGOUZFZERTTDL-KBPBESRZSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000360928516 387368110 /nfs/dbraw/zinc/36/81/10/387368110.db2.gz BMGOUZFZERTTDL-KBPBESRZSA-N 2 1 241.423 1.789 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1(C)C ZINC000423544429 387368306 /nfs/dbraw/zinc/36/83/06/387368306.db2.gz DANCANUIFGNDDE-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000423542906 387368411 /nfs/dbraw/zinc/36/84/11/387368411.db2.gz BKUZAMIDBJSDFE-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000423483734 387328288 /nfs/dbraw/zinc/32/82/88/387328288.db2.gz ZBRUESCJTNAFEQ-SDDRHHMPSA-N 3 1 248.374 1.662 20 0 BDADMP C[NH+](C)C[C@H]1CN([C@@H]2CCC(C)(C)C2)CCO1 ZINC000372976853 387339348 /nfs/dbraw/zinc/33/93/48/387339348.db2.gz RSMQSZXAIZAPGI-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000423498390 387341400 /nfs/dbraw/zinc/34/14/00/387341400.db2.gz BRUVPHDPHSZMDD-XQQFMLRXSA-N 2 1 243.370 1.008 20 0 BDADMP COC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CC1 ZINC000423501954 387343038 /nfs/dbraw/zinc/34/30/38/387343038.db2.gz LQCDDXZHNRPVGR-OLZOCXBDSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423505043 387343584 /nfs/dbraw/zinc/34/35/84/387343584.db2.gz GJQZBDXALXHRMQ-RFQIPJPRSA-N 2 1 239.407 1.304 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C(C)C ZINC000423508694 387345885 /nfs/dbraw/zinc/34/58/85/387345885.db2.gz JBGQURVGYMGNFX-QWHCGFSZSA-N 2 1 228.380 1.765 20 0 BDADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000165078830 387345903 /nfs/dbraw/zinc/34/59/03/387345903.db2.gz ZJGJTPSZNOQPEQ-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423510552 387348306 /nfs/dbraw/zinc/34/83/06/387348306.db2.gz SLXJLUMSGWAVBZ-WXHSDQCUSA-N 2 1 226.364 1.519 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCC1 ZINC000423512696 387348585 /nfs/dbraw/zinc/34/85/85/387348585.db2.gz KXUOJTXEYWBIEE-STQMWFEESA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501316 387351482 /nfs/dbraw/zinc/35/14/82/387351482.db2.gz CTRBNGRTNXAKOH-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423520178 387352738 /nfs/dbraw/zinc/35/27/38/387352738.db2.gz PUNNYQVMQIQVMA-TZMCWYRMSA-N 2 1 234.343 1.716 20 0 BDADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501525 387353897 /nfs/dbraw/zinc/35/38/97/387353897.db2.gz JPBWDGMJHCRTMU-NEPJUHHUSA-N 2 1 214.353 1.533 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H](C)[NH3+] ZINC000423779898 387424503 /nfs/dbraw/zinc/42/45/03/387424503.db2.gz VZOMHUSAENNMKC-NEPJUHHUSA-N 2 1 243.395 1.350 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CC1 ZINC000374423762 387452713 /nfs/dbraw/zinc/45/27/13/387452713.db2.gz XOHXCENTOHZEIR-MGPQQGTHSA-N 2 1 238.375 1.580 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000336562049 387389674 /nfs/dbraw/zinc/38/96/74/387389674.db2.gz XJYYLGADNWCFJI-QWHCGFSZSA-N 2 1 231.343 1.310 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000572423548 387422662 /nfs/dbraw/zinc/42/26/62/387422662.db2.gz DJZXGMACBNWRMJ-NEPJUHHUSA-N 2 1 236.363 1.824 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)C[C@H](C)OC ZINC000361568050 387496620 /nfs/dbraw/zinc/49/66/20/387496620.db2.gz YAZPIWVLZLNZFI-NSHDSACASA-N 2 1 225.336 1.548 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)C[C@H](C)OC ZINC000361568050 387496623 /nfs/dbraw/zinc/49/66/23/387496623.db2.gz YAZPIWVLZLNZFI-NSHDSACASA-N 2 1 225.336 1.548 20 0 BDADMP CC[C@@H](C)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304631511 387497617 /nfs/dbraw/zinc/49/76/17/387497617.db2.gz VNLNKVRYLZYWCN-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cn1 ZINC000375334831 387530508 /nfs/dbraw/zinc/53/05/08/387530508.db2.gz DCAPRXXMNHXKOV-OLZOCXBDSA-N 2 1 235.331 1.527 20 0 BDADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000643506042 387466534 /nfs/dbraw/zinc/46/65/34/387466534.db2.gz IWHRHUKRWNBGSU-NSHDSACASA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]([NH2+]C1CCC(CO)CC1)c1c[nH+]ccc1N ZINC000643471348 387479622 /nfs/dbraw/zinc/47/96/22/387479622.db2.gz VWIXAIOVULFGSF-UNXYVOJBSA-N 2 1 249.358 1.696 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471310 387479675 /nfs/dbraw/zinc/47/96/75/387479675.db2.gz QZSNHBWHQYFBBN-XVSSEFHLSA-N 2 1 226.364 1.125 20 0 BDADMP COC1(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CCCC1 ZINC000361550219 387485013 /nfs/dbraw/zinc/48/50/13/387485013.db2.gz QQWIEXYQYILPEI-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400816326 387486241 /nfs/dbraw/zinc/48/62/41/387486241.db2.gz ZWQHPWPHWUEQSR-BPLDGKMQSA-N 2 1 248.370 1.320 20 0 BDADMP CC[C@H](NCC[N@@H+](C)CC)[C@@H]1CCCC[NH2+]1 ZINC000422717007 387628591 /nfs/dbraw/zinc/62/85/91/387628591.db2.gz NXEXZOUMPJPEIV-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@H](CC(N)=O)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000122721837 387593260 /nfs/dbraw/zinc/59/32/60/387593260.db2.gz DBJYRWHUPMYSPO-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCn2cccn2)CC[N@@H+]1C ZINC000123780918 387594054 /nfs/dbraw/zinc/59/40/54/387594054.db2.gz HBFRMQDVQNUJKW-CHWSQXEVSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCn2cccn2)CC[N@H+]1C ZINC000123780918 387594061 /nfs/dbraw/zinc/59/40/61/387594061.db2.gz HBFRMQDVQNUJKW-CHWSQXEVSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCn2cccn2)CC[NH+]1C ZINC000123780918 387594065 /nfs/dbraw/zinc/59/40/65/387594065.db2.gz HBFRMQDVQNUJKW-CHWSQXEVSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCn2cccn2)CC[NH+]1C ZINC000123780918 387594069 /nfs/dbraw/zinc/59/40/69/387594069.db2.gz HBFRMQDVQNUJKW-CHWSQXEVSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000643512631 387595633 /nfs/dbraw/zinc/59/56/33/387595633.db2.gz MFTOPCKZKCNWQY-GWCFXTLKSA-N 2 1 222.332 1.928 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422561431 387601862 /nfs/dbraw/zinc/60/18/62/387601862.db2.gz LETNTBNWMFHIAI-JLLWLGSASA-N 2 1 236.363 1.523 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422561431 387601864 /nfs/dbraw/zinc/60/18/64/387601864.db2.gz LETNTBNWMFHIAI-JLLWLGSASA-N 2 1 236.363 1.523 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000422560696 387602823 /nfs/dbraw/zinc/60/28/23/387602823.db2.gz HPJZAZIKPIZKGK-YRGRVCCFSA-N 3 1 239.407 1.291 20 0 BDADMP CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCC[NH2+]1 ZINC000422695384 387612579 /nfs/dbraw/zinc/61/25/79/387612579.db2.gz PUDCUKLMWQUWEI-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422695584 387612670 /nfs/dbraw/zinc/61/26/70/387612670.db2.gz QAVVDMFQRATZKP-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422699915 387614674 /nfs/dbraw/zinc/61/46/74/387614674.db2.gz FLAONTSDQYFUPT-MRVWCRGKSA-N 2 1 240.391 1.658 20 0 BDADMP C[N@H+](C/C=C/c1ccncc1)C[C@H]1CC[NH+](C)C1 ZINC000426168154 387546100 /nfs/dbraw/zinc/54/61/00/387546100.db2.gz XYVVEFSUGNBQHN-NHZBNJEXSA-N 2 1 245.370 1.978 20 0 BDADMP C[N@@H+](C/C=C/c1ccncc1)C[C@H]1CC[NH+](C)C1 ZINC000426168154 387546103 /nfs/dbraw/zinc/54/61/03/387546103.db2.gz XYVVEFSUGNBQHN-NHZBNJEXSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C/C=C/c1ccncc1)C[C@H]1CC[N@H+](C)C1 ZINC000426168154 387546108 /nfs/dbraw/zinc/54/61/08/387546108.db2.gz XYVVEFSUGNBQHN-NHZBNJEXSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C/C=C/c1ccncc1)C[C@H]1CC[N@@H+](C)C1 ZINC000426168154 387546111 /nfs/dbraw/zinc/54/61/11/387546111.db2.gz XYVVEFSUGNBQHN-NHZBNJEXSA-N 2 1 245.370 1.978 20 0 BDADMP CC[N@@H+](CCC[NH3+])Cc1ccc(OC)cc1 ZINC000036731781 387556004 /nfs/dbraw/zinc/55/60/04/387556004.db2.gz VJIJBXKMEDWHNU-UHFFFAOYSA-N 2 1 222.332 1.866 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000037893476 387568013 /nfs/dbraw/zinc/56/80/13/387568013.db2.gz ZATOUHJBVNDHQA-DZGCQCFKSA-N 2 1 248.370 1.576 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422715585 387627737 /nfs/dbraw/zinc/62/77/37/387627737.db2.gz SOIKNQAOQPQBGK-TUAOUCFPSA-N 2 1 214.353 1.268 20 0 BDADMP CCCCOCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422790294 387694232 /nfs/dbraw/zinc/69/42/32/387694232.db2.gz XOAFEDBNSLNDIN-LLVKDONJSA-N 2 1 237.347 1.961 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430578846 387631720 /nfs/dbraw/zinc/63/17/20/387631720.db2.gz BNWJDQBJGXJZDU-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@@H+](C)CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422722523 387632308 /nfs/dbraw/zinc/63/23/08/387632308.db2.gz YGAKNUAGHYIKAT-UKRRQHHQSA-N 2 1 249.402 1.486 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000422719502 387632510 /nfs/dbraw/zinc/63/25/10/387632510.db2.gz YHEVJRFIKYWPMB-IHRRRGAJSA-N 3 1 241.423 1.824 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422722871 387633001 /nfs/dbraw/zinc/63/30/01/387633001.db2.gz PXMCNUYBIRTBHS-LBPRGKRZSA-N 3 1 238.379 1.689 20 0 BDADMP CCc1noc([C@H](C)[NH+]2CCC(C[NH3+])CC2)n1 ZINC000430630250 387635129 /nfs/dbraw/zinc/63/51/29/387635129.db2.gz RMHRTENCLRHFCS-VIFPVBQESA-N 2 1 238.335 1.364 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000422727872 387635930 /nfs/dbraw/zinc/63/59/30/387635930.db2.gz IICUMGURVIRQKY-RISCZKNCSA-N 2 1 236.334 1.956 20 0 BDADMP Cc1cc(NCc2c[nH+]c3n2CCCC3)cc[nH+]1 ZINC000376486526 387641510 /nfs/dbraw/zinc/64/15/10/387641510.db2.gz IGBAADCOFIUCAO-UHFFFAOYSA-N 2 1 242.326 1.957 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422737097 387645712 /nfs/dbraw/zinc/64/57/12/387645712.db2.gz HLRDPLWHMAPJMI-KBPBESRZSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cn[nH]c1 ZINC000305755710 387647845 /nfs/dbraw/zinc/64/78/45/387647845.db2.gz FUXADSXQNOSDNF-LBPRGKRZSA-N 2 1 236.363 1.936 20 0 BDADMP C[C@H]([NH3+])CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000430775666 387649970 /nfs/dbraw/zinc/64/99/70/387649970.db2.gz HLWKVSJORBCAGC-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)[NH3+])C[C@H]1C ZINC000430803187 387654650 /nfs/dbraw/zinc/65/46/50/387654650.db2.gz RAKLQKVZCPBHIB-UTUOFQBUSA-N 2 1 241.379 1.055 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000430895379 387659631 /nfs/dbraw/zinc/65/96/31/387659631.db2.gz UFVIMEKOAJSPDC-PHIMTYICSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422760284 387663191 /nfs/dbraw/zinc/66/31/91/387663191.db2.gz LSTBEVCNVXFLBY-NEPJUHHUSA-N 2 1 214.353 1.389 20 0 BDADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1C ZINC000422768952 387667472 /nfs/dbraw/zinc/66/74/72/387667472.db2.gz VDTNENDRTAHMOC-STQMWFEESA-N 2 1 234.343 1.973 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCCC1 ZINC000422767780 387668113 /nfs/dbraw/zinc/66/81/13/387668113.db2.gz ROCLQIZQQOQHLI-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H](NCCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422775989 387671923 /nfs/dbraw/zinc/67/19/23/387671923.db2.gz CUDGHMRMVAZTCT-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422792818 387696121 /nfs/dbraw/zinc/69/61/21/387696121.db2.gz ZMXSERPYVLNFRL-MQYQWHSLSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000422780236 387678812 /nfs/dbraw/zinc/67/88/12/387678812.db2.gz JFHOHHWVJGYWCT-IHRRRGAJSA-N 2 1 241.423 1.822 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422780331 387678939 /nfs/dbraw/zinc/67/89/39/387678939.db2.gz CVWIDPZNBWDDET-WUHRBBMRSA-N 2 1 226.364 1.674 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422781893 387681014 /nfs/dbraw/zinc/68/10/14/387681014.db2.gz LHKIVIRIAAVLBQ-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(C)c1 ZINC000044498873 387683816 /nfs/dbraw/zinc/68/38/16/387683816.db2.gz ZFJQGQFWLIBPAU-NEPJUHHUSA-N 2 1 248.374 1.555 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cnn(C)c1 ZINC000044498875 387684193 /nfs/dbraw/zinc/68/41/93/387684193.db2.gz ZFJQGQFWLIBPAU-NWDGAFQWSA-N 2 1 248.374 1.555 20 0 BDADMP CCOCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363117230 387690646 /nfs/dbraw/zinc/69/06/46/387690646.db2.gz FQXVXIRHLHFFRH-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363117230 387690652 /nfs/dbraw/zinc/69/06/52/387690652.db2.gz FQXVXIRHLHFFRH-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363117230 387690656 /nfs/dbraw/zinc/69/06/56/387690656.db2.gz FQXVXIRHLHFFRH-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000422791340 387691947 /nfs/dbraw/zinc/69/19/47/387691947.db2.gz UVKRDNVKSVLHNS-OLZOCXBDSA-N 3 1 227.396 1.578 20 0 BDADMP CCN(CC)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422744854 387693733 /nfs/dbraw/zinc/69/37/33/387693733.db2.gz KYCGGKNFWUHXJS-MNOVXSKESA-N 2 1 201.358 1.044 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422861526 387744583 /nfs/dbraw/zinc/74/45/83/387744583.db2.gz OIYBONWSBPBFDO-BNOWGMLFSA-N 2 1 237.391 1.473 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000422877491 387756217 /nfs/dbraw/zinc/75/62/17/387756217.db2.gz HXLJNHGOSDBEBA-OLZOCXBDSA-N 2 1 227.396 1.434 20 0 BDADMP CC[C@H](NCC[N@@H+](CC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422879515 387756250 /nfs/dbraw/zinc/75/62/50/387756250.db2.gz MFTURUMPXMDLRT-KBPBESRZSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])C[N@H+]1C1CC1 ZINC000422861758 387745221 /nfs/dbraw/zinc/74/52/21/387745221.db2.gz JNNRUFPINIRTRQ-DNIRFERGSA-N 2 1 223.364 1.081 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CN1C1CC1 ZINC000422861758 387745226 /nfs/dbraw/zinc/74/52/26/387745226.db2.gz JNNRUFPINIRTRQ-DNIRFERGSA-N 2 1 223.364 1.081 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000422869142 387748932 /nfs/dbraw/zinc/74/89/32/387748932.db2.gz WSSWSBMJSHDIRY-RDBSUJKOSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000422869142 387748935 /nfs/dbraw/zinc/74/89/35/387748935.db2.gz WSSWSBMJSHDIRY-RDBSUJKOSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422868789 387750855 /nfs/dbraw/zinc/75/08/55/387750855.db2.gz WBBITIHZVSEVGH-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP COCc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422873460 387751902 /nfs/dbraw/zinc/75/19/02/387751902.db2.gz AKUYUUNTZGXYCR-KBPBESRZSA-N 2 1 234.343 1.802 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CC12CC2 ZINC000527843637 387752335 /nfs/dbraw/zinc/75/23/35/387752335.db2.gz CDOCMSWDMCMNFD-PWSUYJOCSA-N 2 1 208.349 1.859 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H](C)CCCC[NH3+])C(C)C ZINC000422875760 387752841 /nfs/dbraw/zinc/75/28/41/387752841.db2.gz DDJJNZQDZFGNOZ-ZDUSSCGKSA-N 3 1 229.412 1.824 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H](C)CCCC[NH3+])C(C)C ZINC000422875760 387752847 /nfs/dbraw/zinc/75/28/47/387752847.db2.gz DDJJNZQDZFGNOZ-ZDUSSCGKSA-N 3 1 229.412 1.824 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000643526066 387754061 /nfs/dbraw/zinc/75/40/61/387754061.db2.gz OPHSHPHCKBJTJY-NWDGAFQWSA-N 2 1 244.342 1.870 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000422879387 387754397 /nfs/dbraw/zinc/75/43/97/387754397.db2.gz VFEKERFUYKHPSW-VWYCJHECSA-N 2 1 214.378 1.470 20 0 BDADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422802273 387703009 /nfs/dbraw/zinc/70/30/09/387703009.db2.gz DFJCNJNQJMAIQQ-MELADBBJSA-N 2 1 242.407 1.619 20 0 BDADMP CC[C@H]([NH2+]C[C@H](OC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422811099 387709055 /nfs/dbraw/zinc/70/90/55/387709055.db2.gz TZTQFLZQUACENO-AVGNSLFASA-N 2 1 228.380 1.778 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000422811680 387711389 /nfs/dbraw/zinc/71/13/89/387711389.db2.gz VCQIMHKEIWPKIW-UPJWGTAASA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccnc1 ZINC000422823698 387720879 /nfs/dbraw/zinc/72/08/79/387720879.db2.gz DWZSOCJKCWHBNB-DGCLKSJQSA-N 2 1 219.332 1.212 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000452069836 387722972 /nfs/dbraw/zinc/72/29/72/387722972.db2.gz NHSRSXIPWPCBBL-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000452069836 387722977 /nfs/dbraw/zinc/72/29/77/387722977.db2.gz NHSRSXIPWPCBBL-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000452069836 387722983 /nfs/dbraw/zinc/72/29/83/387722983.db2.gz NHSRSXIPWPCBBL-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP COCCOCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422845982 387735212 /nfs/dbraw/zinc/73/52/12/387735212.db2.gz DKLDAGDEGFRGEE-QWHCGFSZSA-N 2 1 244.379 1.017 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000422847142 387735785 /nfs/dbraw/zinc/73/57/85/387735785.db2.gz HLOIFJBDCWGSRZ-DDHJBXDOSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1[C@H](C)N(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000356967998 387756054 /nfs/dbraw/zinc/75/60/54/387756054.db2.gz AUUAIVGEVCUQSH-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1[C@H](C)N(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000356967998 387756058 /nfs/dbraw/zinc/75/60/58/387756058.db2.gz AUUAIVGEVCUQSH-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1[C@H](C)N(CC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000356967998 387756062 /nfs/dbraw/zinc/75/60/62/387756062.db2.gz AUUAIVGEVCUQSH-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000643526065 387756193 /nfs/dbraw/zinc/75/61/93/387756193.db2.gz OPHSHPHCKBJTJY-NEPJUHHUSA-N 2 1 244.342 1.870 20 0 BDADMP CC[C@H]([NH2+]CCOCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422891519 387763180 /nfs/dbraw/zinc/76/31/80/387763180.db2.gz VODHXGYPKAWKSV-STQMWFEESA-N 2 1 226.364 1.533 20 0 BDADMP CO[C@H](C)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422898811 387766611 /nfs/dbraw/zinc/76/66/11/387766611.db2.gz GCXYYWZNABABJT-NXEZZACHSA-N 2 1 223.320 1.570 20 0 BDADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527512 387766711 /nfs/dbraw/zinc/76/67/11/387766711.db2.gz NVJLZBOFDNREHT-KCJUWKMLSA-N 2 1 238.306 1.758 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000643528644 387770233 /nfs/dbraw/zinc/77/02/33/387770233.db2.gz MKXTZVGCWMBZQX-UFBFGSQYSA-N 2 1 208.280 1.750 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422912038 387771379 /nfs/dbraw/zinc/77/13/79/387771379.db2.gz VABUOIXBAKLJSJ-IHRRRGAJSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000643528817 387771708 /nfs/dbraw/zinc/77/17/08/387771708.db2.gz PLFHSWZBSUMVPL-GBIKHYSHSA-N 2 1 204.317 1.857 20 0 BDADMP CC[C@@H](NCC[N@H+](C)[C@@H](C)CC)[C@@H]1CCC[NH2+]1 ZINC000422912047 387771863 /nfs/dbraw/zinc/77/18/63/387771863.db2.gz VBKMQCPWVSFZOY-MJBXVCDLSA-N 2 1 241.423 1.837 20 0 BDADMP CS[C@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422933876 387782645 /nfs/dbraw/zinc/78/26/45/387782645.db2.gz IPSNUYIBJVBQKY-RKDXNWHRSA-N 2 1 225.361 1.896 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422944706 387784878 /nfs/dbraw/zinc/78/48/78/387784878.db2.gz SJHJZITWOZNBSS-WXHSDQCUSA-N 2 1 248.374 1.387 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1CC(O)C1 ZINC000432362315 387785115 /nfs/dbraw/zinc/78/51/15/387785115.db2.gz KJUXIRPWHHVYQU-UHFFFAOYSA-N 2 1 249.358 1.398 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422901115 387785481 /nfs/dbraw/zinc/78/54/81/387785481.db2.gz BPTVCWJSMAWKDS-IHRRRGAJSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H](NC[C@@H]1CCC[N@H+]1C)[C@H]1CCCC[NH2+]1 ZINC000422901524 387786955 /nfs/dbraw/zinc/78/69/55/387786955.db2.gz LFZCXGQSDWFIDM-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422903633 387787690 /nfs/dbraw/zinc/78/76/90/387787690.db2.gz OQHBDOKJWHFESR-RNJOBUHISA-N 2 1 226.364 1.532 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC(O)C2)[C@@H](C)C1 ZINC000432422008 387788288 /nfs/dbraw/zinc/78/82/88/387788288.db2.gz RSIXNXWAEBBIJZ-GFJIZPEISA-N 2 1 240.391 1.467 20 0 BDADMP CC1CC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000432424065 387789252 /nfs/dbraw/zinc/78/92/52/387789252.db2.gz MSICSWTYUWBZFQ-ROKHWSDSSA-N 2 1 240.391 1.875 20 0 BDADMP CC1CC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000432424065 387789257 /nfs/dbraw/zinc/78/92/57/387789257.db2.gz MSICSWTYUWBZFQ-ROKHWSDSSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422978596 387789628 /nfs/dbraw/zinc/78/96/28/387789628.db2.gz ZSQZQKNYOKHCSR-MJBXVCDLSA-N 2 1 239.407 1.306 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422978918 387790077 /nfs/dbraw/zinc/79/00/77/387790077.db2.gz KYTRLIOKZBQMQH-UTUOFQBUSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCC(CO)CC2)CC[N@@H+]1C ZINC000361980205 387797032 /nfs/dbraw/zinc/79/70/32/387797032.db2.gz IFSAETZKOXPFIQ-BLYZHGLHSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCC(CO)CC2)CC[N@H+]1C ZINC000361980205 387797035 /nfs/dbraw/zinc/79/70/35/387797035.db2.gz IFSAETZKOXPFIQ-BLYZHGLHSA-N 2 1 240.391 1.610 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])n[nH]1 ZINC000422987923 387798833 /nfs/dbraw/zinc/79/88/33/387798833.db2.gz HVEQISBDMOUCNF-QWRGUYRKSA-N 2 1 238.379 1.756 20 0 BDADMP CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000422997886 387805971 /nfs/dbraw/zinc/80/59/71/387805971.db2.gz OYCDGVCRKYDTFS-KGLIPLIRSA-N 2 1 239.407 1.448 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000643457214 387808515 /nfs/dbraw/zinc/80/85/15/387808515.db2.gz DYXQKZSCUZIVRO-ZWNOBZJWSA-N 2 1 237.347 1.844 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000527975238 387813502 /nfs/dbraw/zinc/81/35/02/387813502.db2.gz SKACMEXZNXQANE-KSTCHIGDSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000157512270 387809450 /nfs/dbraw/zinc/80/94/50/387809450.db2.gz ZQBIZMSSVQHFIV-FRRDWIJNSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422952486 387810403 /nfs/dbraw/zinc/81/04/03/387810403.db2.gz CNEJFMRJBOSBBG-UTUOFQBUSA-N 3 1 238.379 1.543 20 0 BDADMP C[C@@H]([NH2+]CCc1ccccc1O)[C@H]1CCC[NH2+]1 ZINC000422974273 387823674 /nfs/dbraw/zinc/82/36/74/387823674.db2.gz QTLVITBYZNABSS-DGCLKSJQSA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CO1 ZINC000564085060 387825333 /nfs/dbraw/zinc/82/53/33/387825333.db2.gz SJNFPUXYXBIFFJ-ITGHMWBKSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423007771 387828502 /nfs/dbraw/zinc/82/85/02/387828502.db2.gz ROWHNLCQORYQJO-AEGPPILISA-N 2 1 248.370 1.493 20 0 BDADMP C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423007775 387828741 /nfs/dbraw/zinc/82/87/41/387828741.db2.gz ROWHNLCQORYQJO-QEJZJMRPSA-N 2 1 248.370 1.493 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccncc1 ZINC000423009166 387831079 /nfs/dbraw/zinc/83/10/79/387831079.db2.gz VALQMULABKNIKA-WCQYABFASA-N 2 1 219.332 1.212 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423013083 387835509 /nfs/dbraw/zinc/83/55/09/387835509.db2.gz MADSTAHEJRLJEL-XQHKEYJVSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423026490 387843348 /nfs/dbraw/zinc/84/33/48/387843348.db2.gz BJDLEOVGCXKUHN-RHYQMDGZSA-N 2 1 214.353 1.266 20 0 BDADMP CC(C)OCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423034416 387847946 /nfs/dbraw/zinc/84/79/46/387847946.db2.gz PWLFXJUXMHHKDD-QWHCGFSZSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC1(CN(C)C)CCCC1 ZINC000423034553 387847958 /nfs/dbraw/zinc/84/79/58/387847958.db2.gz ICSGCRNSGRGDRX-CYBMUJFWSA-N 2 1 241.423 1.825 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032738 387848381 /nfs/dbraw/zinc/84/83/81/387848381.db2.gz NBGCKNMQVKTMKI-WUHRBBMRSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423037083 387851451 /nfs/dbraw/zinc/85/14/51/387851451.db2.gz MGYAPQRJSQJRQL-STQMWFEESA-N 3 1 241.423 1.824 20 0 BDADMP CC1=CC[N@H+](CCN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423039147 387852869 /nfs/dbraw/zinc/85/28/69/387852869.db2.gz PXZPMTDXTHEKLU-STQMWFEESA-N 2 1 223.364 1.108 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423039147 387852871 /nfs/dbraw/zinc/85/28/71/387852871.db2.gz PXZPMTDXTHEKLU-STQMWFEESA-N 2 1 223.364 1.108 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CNCC[C@H]1C)C(F)(F)F ZINC000423048689 387858149 /nfs/dbraw/zinc/85/81/49/387858149.db2.gz IIZBDAWAZCHCFL-HRDYMLBCSA-N 2 1 224.270 1.772 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460257 387874377 /nfs/dbraw/zinc/87/43/77/387874377.db2.gz GYPCXIPVHUKQHM-OBJOEFQTSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000643535846 387865674 /nfs/dbraw/zinc/86/56/74/387865674.db2.gz JWDGDHCQNIULNB-AVGNSLFASA-N 3 1 237.391 1.249 20 0 BDADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCCN1 ZINC000643535846 387865678 /nfs/dbraw/zinc/86/56/78/387865678.db2.gz JWDGDHCQNIULNB-AVGNSLFASA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000423062859 387867292 /nfs/dbraw/zinc/86/72/92/387867292.db2.gz UZIORZUYKMARHS-FHUSYTEZSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423064848 387867945 /nfs/dbraw/zinc/86/79/45/387867945.db2.gz SEXVEXYFGKATSX-BJDJZHNGSA-N 2 1 226.364 1.266 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423069803 387871495 /nfs/dbraw/zinc/87/14/95/387871495.db2.gz MFLANNUNQYODGV-VLEAKVRGSA-N 2 1 200.326 1.140 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N1CCCC1 ZINC000422962517 387813844 /nfs/dbraw/zinc/81/38/44/387813844.db2.gz FYWOADSPPDODMD-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422964318 387814001 /nfs/dbraw/zinc/81/40/01/387814001.db2.gz LISFVMBNAJVMEE-CHWSQXEVSA-N 2 1 227.396 1.304 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173491749 387890072 /nfs/dbraw/zinc/89/00/72/387890072.db2.gz AMMUAVZBYRLIKI-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423112238 387896060 /nfs/dbraw/zinc/89/60/60/387896060.db2.gz RUHTXIUUBSQILQ-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000423077656 387877266 /nfs/dbraw/zinc/87/72/66/387877266.db2.gz MNWWMYYVEDIHGK-LBPRGKRZSA-N 3 1 239.407 1.306 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423085868 387880106 /nfs/dbraw/zinc/88/01/06/387880106.db2.gz LRQXJGFSGHBOSB-UPJWGTAASA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423085868 387880111 /nfs/dbraw/zinc/88/01/11/387880111.db2.gz LRQXJGFSGHBOSB-UPJWGTAASA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423093103 387882375 /nfs/dbraw/zinc/88/23/75/387882375.db2.gz FTZNEKZNZVBJEB-FRRDWIJNSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423093086 387882796 /nfs/dbraw/zinc/88/27/96/387882796.db2.gz FSMKEKMGQCPDPR-MGAJPHDKSA-N 2 1 208.349 1.763 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423141746 387917952 /nfs/dbraw/zinc/91/79/52/387917952.db2.gz ROVWLSCEIBYKAZ-VXGBXAGGSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423118622 387901129 /nfs/dbraw/zinc/90/11/29/387901129.db2.gz BNNPYTOKFXXWHU-WDEREUQCSA-N 2 1 214.328 1.856 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000423120423 387901376 /nfs/dbraw/zinc/90/13/76/387901376.db2.gz GMNDUJTZGBMNLX-BZPMIXESSA-N 2 1 246.354 1.750 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423130509 387907244 /nfs/dbraw/zinc/90/72/44/387907244.db2.gz YRSJHVGCJQBQLX-FRRDWIJNSA-N 2 1 229.412 1.822 20 0 BDADMP CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423130509 387907247 /nfs/dbraw/zinc/90/72/47/387907247.db2.gz YRSJHVGCJQBQLX-FRRDWIJNSA-N 2 1 229.412 1.822 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423130714 387907634 /nfs/dbraw/zinc/90/76/34/387907634.db2.gz YRSJHVGCJQBQLX-YNEHKIRRSA-N 2 1 229.412 1.822 20 0 BDADMP CCCCN(C)C[C@@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423130714 387907636 /nfs/dbraw/zinc/90/76/36/387907636.db2.gz YRSJHVGCJQBQLX-YNEHKIRRSA-N 2 1 229.412 1.822 20 0 BDADMP Cc1occc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000320995241 387911586 /nfs/dbraw/zinc/91/15/86/387911586.db2.gz ANFHZVDDSGTDJT-JTQLQIEISA-N 2 1 210.321 1.875 20 0 BDADMP C[C@@H]([NH2+]CC[C@H](C)F)c1c[nH+]ccc1N ZINC000423137307 387914165 /nfs/dbraw/zinc/91/41/65/387914165.db2.gz QSZBDGZSYBOWHC-DTWKUNHWSA-N 2 1 211.284 1.893 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000423153810 387931859 /nfs/dbraw/zinc/93/18/59/387931859.db2.gz ICCSIPOWAFDEQH-MWLCHTKSSA-N 2 1 223.320 1.454 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423156689 387936832 /nfs/dbraw/zinc/93/68/32/387936832.db2.gz TVLKZGQLAZWQKP-MWLCHTKSSA-N 2 1 239.388 1.582 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000237169657 387924907 /nfs/dbraw/zinc/92/49/07/387924907.db2.gz SVZGJRSKFJXZBM-UHFFFAOYSA-N 2 1 244.342 1.747 20 0 BDADMP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@@H](O)CC ZINC000423167100 387952971 /nfs/dbraw/zinc/95/29/71/387952971.db2.gz WKPXFHTVEWVPRO-KKOKHZNYSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423167471 387953019 /nfs/dbraw/zinc/95/30/19/387953019.db2.gz WSKKRJKITNHRSL-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000300384955 387953381 /nfs/dbraw/zinc/95/33/81/387953381.db2.gz JUEMYVUTQZZUES-OPRDCNLKSA-N 2 1 200.326 1.127 20 0 BDADMP COCCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287066 387953427 /nfs/dbraw/zinc/95/34/27/387953427.db2.gz IIWOIHUKVGECBH-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1c[nH+]ccc1N ZINC000423159086 387938186 /nfs/dbraw/zinc/93/81/86/387938186.db2.gz FFNKZMQITZZSNC-RNCFNFMXSA-N 2 1 235.331 1.306 20 0 BDADMP C[C@H]([NH2+]CCC[C@H]1CCOC1)c1c[nH+]ccc1N ZINC000423160693 387940554 /nfs/dbraw/zinc/94/05/54/387940554.db2.gz MRBBZTVTNCURFG-RYUDHWBXSA-N 2 1 249.358 1.961 20 0 BDADMP C[C@@H]1CCNC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423160457 387941125 /nfs/dbraw/zinc/94/11/25/387941125.db2.gz HITONEYTTRXRIY-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423160457 387941130 /nfs/dbraw/zinc/94/11/30/387941130.db2.gz HITONEYTTRXRIY-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423160457 387941133 /nfs/dbraw/zinc/94/11/33/387941133.db2.gz HITONEYTTRXRIY-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CC1 ZINC000423160005 387941284 /nfs/dbraw/zinc/94/12/84/387941284.db2.gz QFROLDAYPVICDJ-YXCITZCRSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423165649 387948467 /nfs/dbraw/zinc/94/84/67/387948467.db2.gz UNUPEXNIEVNONZ-GHMZBOCLSA-N 2 1 228.380 1.371 20 0 BDADMP CC(C)n1cncc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392277617 387949260 /nfs/dbraw/zinc/94/92/60/387949260.db2.gz PDZIJGCUEYGSLD-UHFFFAOYSA-N 2 1 248.374 1.816 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423166619 387950494 /nfs/dbraw/zinc/95/04/94/387950494.db2.gz RHANTASHMJKTEI-YFKTTZPYSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@@H](O)CC ZINC000423167103 387951561 /nfs/dbraw/zinc/95/15/61/387951561.db2.gz WKPXFHTVEWVPRO-WYUUTHIRSA-N 2 1 214.353 1.266 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423172953 387959972 /nfs/dbraw/zinc/95/99/72/387959972.db2.gz WCLFXXPBXNESNO-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@@H+]1C[C@H](NCC2([NH3+])CCCCC2)[C@@H](C)C1 ZINC000423179881 387966286 /nfs/dbraw/zinc/96/62/86/387966286.db2.gz MRUGVSCJBKOMFX-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP CCN1C[C@H]([NH2+]CC2([NH3+])CCCCC2)[C@@H](C)C1 ZINC000423179881 387966290 /nfs/dbraw/zinc/96/62/90/387966290.db2.gz MRUGVSCJBKOMFX-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H](CCc1cccc(F)c1)[NH2+]CC[NH3+] ZINC000423182381 387967713 /nfs/dbraw/zinc/96/77/13/387967713.db2.gz LQKFGLAFSXUNOK-SNVBAGLBSA-N 2 1 210.296 1.695 20 0 BDADMP CC[C@@H]([NH2+]CC[NH3+])c1cccc(OC)c1 ZINC000423187395 387971249 /nfs/dbraw/zinc/97/12/49/387971249.db2.gz PGDCNWCRUXUVFM-GFCCVEGCSA-N 2 1 208.305 1.695 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423170394 387957048 /nfs/dbraw/zinc/95/70/48/387957048.db2.gz XYFMNDQJRZYKBO-QWHCGFSZSA-N 2 1 239.407 1.591 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@H]1OC ZINC000423197430 387981838 /nfs/dbraw/zinc/98/18/38/387981838.db2.gz ZIIUOURQTVRHHI-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[NH3+] ZINC000423188865 387972736 /nfs/dbraw/zinc/97/27/36/387972736.db2.gz QSGKYKNTSOFFCM-VIFPVBQESA-N 2 1 239.294 1.091 20 0 BDADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[NH3+] ZINC000423188864 387974033 /nfs/dbraw/zinc/97/40/33/387974033.db2.gz QSGKYKNTSOFFCM-SECBINFHSA-N 2 1 239.294 1.091 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1c[nH+]ccc1N ZINC000423188795 387974391 /nfs/dbraw/zinc/97/43/91/387974391.db2.gz QKJDKAXHUJQNCO-DDHJBXDOSA-N 2 1 249.358 1.958 20 0 BDADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[NH3+] ZINC000423188767 387974466 /nfs/dbraw/zinc/97/44/66/387974466.db2.gz QHOPYBXLRGOQMR-JQWIXIFHSA-N 2 1 208.305 1.311 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250574239 135053779 /nfs/dbraw/zinc/05/37/79/135053779.db2.gz WYRRSQJASKEJAZ-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP CCOCCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000250533201 135056506 /nfs/dbraw/zinc/05/65/06/135056506.db2.gz SIWHQOWDFHFOPO-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000250533201 135056508 /nfs/dbraw/zinc/05/65/08/135056508.db2.gz SIWHQOWDFHFOPO-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424332051 387977430 /nfs/dbraw/zinc/97/74/30/387977430.db2.gz KMYIJQAUOMVKFJ-CHWSQXEVSA-N 2 1 247.342 1.145 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423201811 387988185 /nfs/dbraw/zinc/98/81/85/387988185.db2.gz PRMSPBSHIPKOAE-HZSPNIEDSA-N 3 1 239.407 1.496 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000423206961 387991985 /nfs/dbraw/zinc/99/19/85/387991985.db2.gz XKZBYZJZKQBLOG-LLVKDONJSA-N 2 1 207.321 1.650 20 0 BDADMP CC(C)([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424342049 387982872 /nfs/dbraw/zinc/98/28/72/387982872.db2.gz WRTUOXJNBRYIQJ-UHFFFAOYSA-N 2 1 224.308 1.382 20 0 BDADMP CC[C@@H]([NH2+]CCC[NH2+]C)c1cnn(C)c1 ZINC000423198659 387983379 /nfs/dbraw/zinc/98/33/79/387983379.db2.gz HBZMOWHZAUJJSG-LLVKDONJSA-N 2 1 210.325 1.070 20 0 BDADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423219202 387999715 /nfs/dbraw/zinc/99/97/15/387999715.db2.gz VXBJFTLAGKJSHR-AGIUHOORSA-N 2 1 248.374 1.398 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@@H](C)C1 ZINC000245992389 388001274 /nfs/dbraw/zinc/00/12/74/388001274.db2.gz QXJYHZGGAVSNPG-RVMXOQNASA-N 2 1 240.391 1.466 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423222646 388004621 /nfs/dbraw/zinc/00/46/21/388004621.db2.gz BYXIZRCKIQCYKT-IUCAKERBSA-N 2 1 211.284 1.609 20 0 BDADMP C[C@@H]([NH3+])CC[NH2+][C@H](C)c1ccncc1F ZINC000423223039 388004732 /nfs/dbraw/zinc/00/47/32/388004732.db2.gz DPJXVEFRQIXGKZ-RKDXNWHRSA-N 2 1 211.284 1.609 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000246061459 388005279 /nfs/dbraw/zinc/00/52/79/388005279.db2.gz ZEQLVQKLKQDWLQ-QNWHQSFQSA-N 2 1 238.375 1.362 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000453200973 388007791 /nfs/dbraw/zinc/00/77/91/388007791.db2.gz RRKUJISONNAXOX-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000453200973 388007793 /nfs/dbraw/zinc/00/77/93/388007793.db2.gz RRKUJISONNAXOX-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453198521 388008510 /nfs/dbraw/zinc/00/85/10/388008510.db2.gz PCIDMXVPSNHSPZ-KBPBESRZSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453198521 388008513 /nfs/dbraw/zinc/00/85/13/388008513.db2.gz PCIDMXVPSNHSPZ-KBPBESRZSA-N 2 1 238.375 1.221 20 0 BDADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C[C@H]1OC ZINC000423241282 388025039 /nfs/dbraw/zinc/02/50/39/388025039.db2.gz UWHYPBUVOVTGMF-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H](C)CCOC)C(C)C ZINC000156640802 388013575 /nfs/dbraw/zinc/01/35/75/388013575.db2.gz YBXSHBKZMKOMAG-LBPRGKRZSA-N 2 1 216.369 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H](C)CCOC)C(C)C ZINC000156640802 388013578 /nfs/dbraw/zinc/01/35/78/388013578.db2.gz YBXSHBKZMKOMAG-LBPRGKRZSA-N 2 1 216.369 1.731 20 0 BDADMP C[NH2+]CCCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156650151 388015780 /nfs/dbraw/zinc/01/57/80/388015780.db2.gz RDUYKMCPYUXVCS-VXGBXAGGSA-N 2 1 213.369 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423233608 388019415 /nfs/dbraw/zinc/01/94/15/388019415.db2.gz DVEWCZDDYQWVNT-BNOWGMLFSA-N 2 1 233.359 1.226 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423236884 388021422 /nfs/dbraw/zinc/02/14/22/388021422.db2.gz OZHKXDFSRRAIDV-JQWIXIFHSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@H]1CCCCN1 ZINC000423238448 388022178 /nfs/dbraw/zinc/02/21/78/388022178.db2.gz AKEWJBHMQKWAEU-RWMBFGLXSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000423253655 388034988 /nfs/dbraw/zinc/03/49/88/388034988.db2.gz ZGUCUVSIMQVVQP-SNPRPXQTSA-N 2 1 247.386 1.759 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000450405332 388035272 /nfs/dbraw/zinc/03/52/72/388035272.db2.gz QFCKBQTZHMXFKH-SNVBAGLBSA-N 2 1 232.318 1.915 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423262887 388040294 /nfs/dbraw/zinc/04/02/94/388040294.db2.gz NPWWXQQTTWOGQB-MJBXVCDLSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000423261779 388041071 /nfs/dbraw/zinc/04/10/71/388041071.db2.gz KUZFCJNYULPPQG-SDDRHHMPSA-N 2 1 214.353 1.517 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@H]1C ZINC000423263544 388042315 /nfs/dbraw/zinc/04/23/15/388042315.db2.gz OSNQSIXFNINORI-HBNTYKKESA-N 2 1 200.326 1.127 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423274344 388054939 /nfs/dbraw/zinc/05/49/39/388054939.db2.gz MAEBTOWYFZZQMD-UWVGGRQHSA-N 2 1 225.311 1.727 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000423275216 388056867 /nfs/dbraw/zinc/05/68/67/388056867.db2.gz MXMAMTUOJHTFFA-MCIONIFRSA-N 2 1 239.407 1.496 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccccn1 ZINC000423276983 388058692 /nfs/dbraw/zinc/05/86/92/388058692.db2.gz PDWMHYVJOTTYDH-QWRGUYRKSA-N 2 1 207.321 1.588 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453362445 388059216 /nfs/dbraw/zinc/05/92/16/388059216.db2.gz RFFNKVPHQKLESH-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@@H+]1C[C@H](NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000423283954 388066862 /nfs/dbraw/zinc/06/68/62/388066862.db2.gz GCXAEIMMSNYOCX-RYUDHWBXSA-N 2 1 227.396 1.434 20 0 BDADMP CCN1C[C@H]([NH2+]CC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000423283954 388066863 /nfs/dbraw/zinc/06/68/63/388066863.db2.gz GCXAEIMMSNYOCX-RYUDHWBXSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1c[nH+]ccc1N ZINC000423283969 388066898 /nfs/dbraw/zinc/06/68/98/388066898.db2.gz XVBQHBPIWLMFBR-RYUDHWBXSA-N 3 1 248.374 1.534 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@H+]1C ZINC000453386689 388067363 /nfs/dbraw/zinc/06/73/63/388067363.db2.gz OUXZEPNDYLYBML-MROQNXINSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NCC([NH3+])(CC)CC)C1 ZINC000423283953 388067403 /nfs/dbraw/zinc/06/74/03/388067403.db2.gz GCXAEIMMSNYOCX-NWDGAFQWSA-N 2 1 227.396 1.434 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+]CC([NH3+])(CC)CC)C1 ZINC000423283953 388067408 /nfs/dbraw/zinc/06/74/08/388067408.db2.gz GCXAEIMMSNYOCX-NWDGAFQWSA-N 2 1 227.396 1.434 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C[NH3+])C1CC1 ZINC000423284217 388067601 /nfs/dbraw/zinc/06/76/01/388067601.db2.gz WRIHLDGRDRBAHG-WCFLWFBJSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000084048035 388070020 /nfs/dbraw/zinc/07/00/20/388070020.db2.gz LQLUBQNFGDQOKT-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000423286984 388070542 /nfs/dbraw/zinc/07/05/42/388070542.db2.gz JUAWMZFIBIYMHF-SNVBAGLBSA-N 2 1 224.352 1.588 20 0 BDADMP C[C@H]([NH2+]CCOCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400322423 388114716 /nfs/dbraw/zinc/11/47/16/388114716.db2.gz CIXZKMWVNBBSNS-DTWKUNHWSA-N 2 1 240.269 1.295 20 0 BDADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000423289480 388074252 /nfs/dbraw/zinc/07/42/52/388074252.db2.gz BBOTUQGKDZQYGI-GDLCADMTSA-N 3 1 233.359 1.676 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453406482 388075126 /nfs/dbraw/zinc/07/51/26/388075126.db2.gz RDCWABWWZCFEDZ-AAEUAGOBSA-N 2 1 226.364 1.628 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000423295026 388077549 /nfs/dbraw/zinc/07/75/49/388077549.db2.gz DGWWZODXGRARCI-FRRDWIJNSA-N 2 1 228.380 1.909 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCO[C@@H]1C ZINC000423296695 388078947 /nfs/dbraw/zinc/07/89/47/388078947.db2.gz HJTOTZPKKOTURJ-MXWKQRLJSA-N 2 1 200.326 1.271 20 0 BDADMP C[C@H]1CC[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)O1 ZINC000453631125 388095582 /nfs/dbraw/zinc/09/55/82/388095582.db2.gz NQCDGVGGBTUSFB-WCQYABFASA-N 2 1 249.358 1.805 20 0 BDADMP CC(C)[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789859 388096726 /nfs/dbraw/zinc/09/67/26/388096726.db2.gz BCRRVYLIFQLUGH-XQQFMLRXSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789859 388096728 /nfs/dbraw/zinc/09/67/28/388096728.db2.gz BCRRVYLIFQLUGH-XQQFMLRXSA-N 2 1 226.364 1.484 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336661404 388103843 /nfs/dbraw/zinc/10/38/43/388103843.db2.gz JYSYGKRGQFUYRP-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP C[N@@H+](CCc1cccnc1)CC(C)(C)C[NH3+] ZINC000086638547 388105950 /nfs/dbraw/zinc/10/59/50/388105950.db2.gz ZNCWFFKKHDJGSP-UHFFFAOYSA-N 2 1 221.348 1.541 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1C(C)(C)C1(C)C ZINC000446969919 388045502 /nfs/dbraw/zinc/04/55/02/388045502.db2.gz SHNZJCKFNLWREV-GHMZBOCLSA-N 2 1 242.407 1.569 20 0 BDADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(CO)c1 ZINC000423267282 388046446 /nfs/dbraw/zinc/04/64/46/388046446.db2.gz CTDBHCALNJCBMR-QMTHXVAHSA-N 2 1 234.343 1.567 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000423270661 388048683 /nfs/dbraw/zinc/04/86/83/388048683.db2.gz IIQUQZDPODJFHU-NEPJUHHUSA-N 2 1 224.352 1.444 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)CCO)[C@@H](C)C1 ZINC000449359901 388181780 /nfs/dbraw/zinc/18/17/80/388181780.db2.gz RUSDXVGJACMTOD-IHRRRGAJSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000162198953 388123436 /nfs/dbraw/zinc/12/34/36/388123436.db2.gz UIPVZSKNKYZONK-GHMZBOCLSA-N 2 1 205.305 1.564 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CCCO)[C@@H](C)C1 ZINC000449409477 388197263 /nfs/dbraw/zinc/19/72/63/388197263.db2.gz UBTXZCLWNWAYPQ-RDBSUJKOSA-N 2 1 242.407 1.715 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449521617 388223598 /nfs/dbraw/zinc/22/35/98/388223598.db2.gz IZLQCRPEUYXUOL-IGQOVBAYSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](O)(C(F)F)C1 ZINC000451426032 388270900 /nfs/dbraw/zinc/27/09/00/388270900.db2.gz HTXYRYPECDNROV-ZYHUDNBSSA-N 2 1 248.317 1.173 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](O)(C(F)F)C1 ZINC000451426032 388270902 /nfs/dbraw/zinc/27/09/02/388270902.db2.gz HTXYRYPECDNROV-ZYHUDNBSSA-N 2 1 248.317 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451426032 388270905 /nfs/dbraw/zinc/27/09/05/388270905.db2.gz HTXYRYPECDNROV-ZYHUDNBSSA-N 2 1 248.317 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451426032 388270907 /nfs/dbraw/zinc/27/09/07/388270907.db2.gz HTXYRYPECDNROV-ZYHUDNBSSA-N 2 1 248.317 1.173 20 0 BDADMP COc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000234860215 388361880 /nfs/dbraw/zinc/36/18/80/388361880.db2.gz DULSQTVJHMXLLP-ZJUUUORDSA-N 2 1 208.305 1.693 20 0 BDADMP CO[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000234858550 388361887 /nfs/dbraw/zinc/36/18/87/388361887.db2.gz GAVNNBOVMAFDKT-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000300387412 388364499 /nfs/dbraw/zinc/36/44/99/388364499.db2.gz ZYMCLBYTRDGCGM-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccn2)C1 ZINC000235709160 388374645 /nfs/dbraw/zinc/37/46/45/388374645.db2.gz QJAINDGYJIDNFX-GFCCVEGCSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccn2)C1 ZINC000235709160 388374647 /nfs/dbraw/zinc/37/46/47/388374647.db2.gz QJAINDGYJIDNFX-GFCCVEGCSA-N 2 1 205.305 1.252 20 0 BDADMP Cc1sccc1C[NH2+]C[C@](C)(O)CN(C)C ZINC000292750595 388383332 /nfs/dbraw/zinc/38/33/32/388383332.db2.gz BEEOCBAKIQOHQY-LBPRGKRZSA-N 2 1 242.388 1.459 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316092870 388406015 /nfs/dbraw/zinc/40/60/15/388406015.db2.gz BMICRERHZPOPRA-RAIGVLPGSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316092875 388406025 /nfs/dbraw/zinc/40/60/25/388406025.db2.gz BMICRERHZPOPRA-WXHSDQCUSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578799 388388513 /nfs/dbraw/zinc/38/85/13/388388513.db2.gz FQZBZVKERZOUET-CYBMUJFWSA-N 2 1 247.342 1.568 20 0 BDADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578799 388388515 /nfs/dbraw/zinc/38/85/15/388388515.db2.gz FQZBZVKERZOUET-CYBMUJFWSA-N 2 1 247.342 1.568 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000165626736 388406250 /nfs/dbraw/zinc/40/62/50/388406250.db2.gz XZBDEIMZTDOJAM-DGCLKSJQSA-N 2 1 237.347 1.596 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCC(F)(F)C1 ZINC000300936983 388391725 /nfs/dbraw/zinc/39/17/25/388391725.db2.gz CUGXWOWJBZFQTR-JTQLQIEISA-N 2 1 236.306 1.329 20 0 BDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC1(F)CC1 ZINC000525977435 388439590 /nfs/dbraw/zinc/43/95/90/388439590.db2.gz YZGYFZCJLRDWHL-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC1(F)CC1 ZINC000525977435 388439594 /nfs/dbraw/zinc/43/95/94/388439594.db2.gz YZGYFZCJLRDWHL-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC1(F)CC1 ZINC000525977435 388439597 /nfs/dbraw/zinc/43/95/97/388439597.db2.gz YZGYFZCJLRDWHL-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC1(F)CC1 ZINC000525977435 388439599 /nfs/dbraw/zinc/43/95/99/388439599.db2.gz YZGYFZCJLRDWHL-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000397264849 388455585 /nfs/dbraw/zinc/45/55/85/388455585.db2.gz ISELQNXNDRMBPI-IPYPFGDCSA-N 2 1 247.386 1.929 20 0 BDADMP FCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336708152 388466389 /nfs/dbraw/zinc/46/63/89/388466389.db2.gz SFZOYSQIGCXSMR-VXGBXAGGSA-N 2 1 214.328 1.668 20 0 BDADMP C[NH+]1CCC([NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000393669976 388437057 /nfs/dbraw/zinc/43/70/57/388437057.db2.gz JAPUQHXFPQAVQJ-UHFFFAOYSA-N 2 1 228.380 1.467 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000516469830 256778248 /nfs/dbraw/zinc/77/82/48/256778248.db2.gz UZUWPDYXLCDMJD-ZDUSSCGKSA-N 2 1 219.332 1.480 20 0 BDADMP C[NH+](C)C1(CNc2cc[nH+]cc2Cl)CC1 ZINC000397893135 388509824 /nfs/dbraw/zinc/50/98/24/388509824.db2.gz QUEOTCTVWMRIJC-UHFFFAOYSA-N 2 1 225.723 1.663 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000379267361 388602527 /nfs/dbraw/zinc/60/25/27/388602527.db2.gz SFLDWRXJLBISDE-WCQYABFASA-N 2 1 237.347 1.739 20 0 BDADMP CC1CC([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000184346555 388576595 /nfs/dbraw/zinc/57/65/95/388576595.db2.gz NLITWVKHQOGMKS-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCO)C1 ZINC000081572816 388583987 /nfs/dbraw/zinc/58/39/87/388583987.db2.gz WEVHZMRQAAKIKG-GFCCVEGCSA-N 2 1 214.353 1.033 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000248421417 388678360 /nfs/dbraw/zinc/67/83/60/388678360.db2.gz MGQNXKAREBZZKD-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@@H](C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000248421417 388678362 /nfs/dbraw/zinc/67/83/62/388678362.db2.gz MGQNXKAREBZZKD-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@@H](C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000248421417 388678364 /nfs/dbraw/zinc/67/83/64/388678364.db2.gz MGQNXKAREBZZKD-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[S@](C)=O)[C@@H](C)C1 ZINC000248443736 388680144 /nfs/dbraw/zinc/68/01/44/388680144.db2.gz BFEYKUZOITUWDF-BUWBCJGYSA-N 2 1 246.420 1.073 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[S@](C)=O)[C@@H](C)C1 ZINC000248443736 388680146 /nfs/dbraw/zinc/68/01/46/388680146.db2.gz BFEYKUZOITUWDF-BUWBCJGYSA-N 2 1 246.420 1.073 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCCOC1)c1c[nH+]ccc1N ZINC000530208599 388626963 /nfs/dbraw/zinc/62/69/63/388626963.db2.gz FPESEPYPSMZMMB-NWDGAFQWSA-N 2 1 249.358 1.961 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccncc1 ZINC000530225428 388635877 /nfs/dbraw/zinc/63/58/77/388635877.db2.gz ZTFPFXJEBYTECP-CMPLNLGQSA-N 2 1 205.305 1.137 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(CCO)CC1 ZINC000189991816 388646095 /nfs/dbraw/zinc/64/60/95/388646095.db2.gz HFCAMJJAGYLDLS-UHFFFAOYSA-N 2 1 249.358 1.400 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000223209171 388649695 /nfs/dbraw/zinc/64/96/95/388649695.db2.gz AJCQAEFGJDTUQY-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000246806336 388652451 /nfs/dbraw/zinc/65/24/51/388652451.db2.gz AJSCCWPJWGCKSV-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000246806336 388652452 /nfs/dbraw/zinc/65/24/52/388652452.db2.gz AJSCCWPJWGCKSV-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000246806336 388652455 /nfs/dbraw/zinc/65/24/55/388652455.db2.gz AJSCCWPJWGCKSV-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2C)CC[N@@H+]1C ZINC000246806336 388652456 /nfs/dbraw/zinc/65/24/56/388652456.db2.gz AJSCCWPJWGCKSV-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCOC1 ZINC000246866861 388653636 /nfs/dbraw/zinc/65/36/36/388653636.db2.gz DEOBRWRSTKWYAF-XQQFMLRXSA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCO2)[C@@H](C)C1 ZINC000247144074 388660144 /nfs/dbraw/zinc/66/01/44/388660144.db2.gz RBHQNCPZKRRJDY-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000247295808 388662472 /nfs/dbraw/zinc/66/24/72/388662472.db2.gz HQDFXUUXCBIYGB-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000247295808 388662473 /nfs/dbraw/zinc/66/24/73/388662473.db2.gz HQDFXUUXCBIYGB-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000247295808 388662475 /nfs/dbraw/zinc/66/24/75/388662475.db2.gz HQDFXUUXCBIYGB-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251015127 388743830 /nfs/dbraw/zinc/74/38/30/388743830.db2.gz WBANXAPLUPMFLU-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000227493188 388752156 /nfs/dbraw/zinc/75/21/56/388752156.db2.gz DRMIWBRHKDNQHF-YNEHKIRRSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)CC[N@@H+]1C ZINC000251726090 388752456 /nfs/dbraw/zinc/75/24/56/388752456.db2.gz CFDCVPUVCOYHBM-UTUOFQBUSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)CC[N@H+]1C ZINC000251726090 388752459 /nfs/dbraw/zinc/75/24/59/388752459.db2.gz CFDCVPUVCOYHBM-UTUOFQBUSA-N 2 1 228.405 1.954 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000248890827 388697588 /nfs/dbraw/zinc/69/75/88/388697588.db2.gz AWPGZEXBPZBFHZ-MROQNXINSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000248890827 388697590 /nfs/dbraw/zinc/69/75/90/388697590.db2.gz AWPGZEXBPZBFHZ-MROQNXINSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000249163162 388711219 /nfs/dbraw/zinc/71/12/19/388711219.db2.gz ZPGBZRCKPWKFRT-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000249162686 388712022 /nfs/dbraw/zinc/71/20/22/388712022.db2.gz ZMIIQAZRDIEWJS-AGIUHOORSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000249162686 388712025 /nfs/dbraw/zinc/71/20/25/388712025.db2.gz ZMIIQAZRDIEWJS-AGIUHOORSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249387304 388719517 /nfs/dbraw/zinc/71/95/17/388719517.db2.gz QEDCZNFWWCYMOQ-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)COC)C1 ZINC000249777394 388732872 /nfs/dbraw/zinc/73/28/72/388732872.db2.gz KPRBEUSLXYOFIO-QWHCGFSZSA-N 2 1 228.380 1.543 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249777394 388732875 /nfs/dbraw/zinc/73/28/75/388732875.db2.gz KPRBEUSLXYOFIO-QWHCGFSZSA-N 2 1 228.380 1.543 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249777394 388732877 /nfs/dbraw/zinc/73/28/77/388732877.db2.gz KPRBEUSLXYOFIO-QWHCGFSZSA-N 2 1 228.380 1.543 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000230062694 388811252 /nfs/dbraw/zinc/81/12/52/388811252.db2.gz UXCBOZMQNSOWME-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228075552 388768483 /nfs/dbraw/zinc/76/84/83/388768483.db2.gz UPMSQWFCCIAHLW-FIQHERPVSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228075552 388768484 /nfs/dbraw/zinc/76/84/84/388768484.db2.gz UPMSQWFCCIAHLW-FIQHERPVSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732386 388778198 /nfs/dbraw/zinc/77/81/98/388778198.db2.gz UWRPUIFLBSUQPP-DHGKCCLASA-N 2 1 240.391 1.608 20 0 BDADMP CCOCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988205 388778337 /nfs/dbraw/zinc/77/83/37/388778337.db2.gz IUDIVEWDQBUNEU-RYUDHWBXSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000252742917 388779978 /nfs/dbraw/zinc/77/99/78/388779978.db2.gz OCLBGBGSVQXNRM-VXGBXAGGSA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129589237 388854507 /nfs/dbraw/zinc/85/45/07/388854507.db2.gz VEIMBFKICSQDQR-OLZOCXBDSA-N 2 1 227.396 1.401 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2CCOCC2)CC[N@H+]1C ZINC000094722723 388867902 /nfs/dbraw/zinc/86/79/02/388867902.db2.gz VCZOAAWYHUSMKC-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC12CC2)c1c[nH+]ccc1N ZINC000564651030 388880859 /nfs/dbraw/zinc/88/08/59/388880859.db2.gz LFSWFTDBKBJBOD-LDYMZIIASA-N 2 1 203.289 1.697 20 0 BDADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000564824541 388892007 /nfs/dbraw/zinc/89/20/07/388892007.db2.gz IFGYKDRFNMDHLQ-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226408 388927940 /nfs/dbraw/zinc/92/79/40/388927940.db2.gz KUNMWKTYXSPHSW-HZSPNIEDSA-N 3 1 239.407 1.720 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226408 388927943 /nfs/dbraw/zinc/92/79/43/388927943.db2.gz KUNMWKTYXSPHSW-HZSPNIEDSA-N 3 1 239.407 1.720 20 0 BDADMP FC(F)O[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000565717268 388963719 /nfs/dbraw/zinc/96/37/19/388963719.db2.gz URANHEWQJKQBAD-JTQLQIEISA-N 2 1 234.290 1.300 20 0 BDADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccn(C)n1 ZINC000565422249 388943584 /nfs/dbraw/zinc/94/35/84/388943584.db2.gz SUFRBZGPJPNKMP-NSHDSACASA-N 2 1 244.342 1.730 20 0 BDADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000334321209 533357908 /nfs/dbraw/zinc/35/79/08/533357908.db2.gz HTIRTGKIYJBANE-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000334321214 533359324 /nfs/dbraw/zinc/35/93/24/533359324.db2.gz HTIRTGKIYJBANE-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257644438 533376495 /nfs/dbraw/zinc/37/64/95/533376495.db2.gz BTVWAHQUGVFTNI-CHWSQXEVSA-N 2 1 240.416 1.815 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257644439 533377458 /nfs/dbraw/zinc/37/74/58/533377458.db2.gz BTVWAHQUGVFTNI-OLZOCXBDSA-N 2 1 240.416 1.815 20 0 BDADMP C[C@@H]([NH2+]CCc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000400371956 533405071 /nfs/dbraw/zinc/40/50/71/533405071.db2.gz HFYZPEGWQUQOJE-YPMHNXCESA-N 2 1 219.332 1.354 20 0 BDADMP C[C@@H]([NH2+]CCc1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000400404446 533405176 /nfs/dbraw/zinc/40/51/76/533405176.db2.gz QVXSHOXMDQBJBJ-YPMHNXCESA-N 2 1 219.332 1.354 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000300056926 533414623 /nfs/dbraw/zinc/41/46/23/533414623.db2.gz WMSUZVHOTOKHIO-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP COc1cccc(CCC[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000507314040 533457689 /nfs/dbraw/zinc/45/76/89/533457689.db2.gz ZAXKCAQPEBZIKL-CYBMUJFWSA-N 2 1 234.343 1.579 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]c(C)c2)[C@H](C)C1 ZINC000286224999 132214324 /nfs/dbraw/zinc/21/43/24/132214324.db2.gz DFJDIWYJASTTEU-GFCCVEGCSA-N 2 1 219.332 1.920 20 0 BDADMP C[NH2+]C[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000040602370 132224017 /nfs/dbraw/zinc/22/40/17/132224017.db2.gz ASABNWYENKQNBV-LBPRGKRZSA-N 2 1 234.347 1.529 20 0 BDADMP CCc1nc(N2CCC(C[NH3+])CC2)cc(C)[nH+]1 ZINC000045954888 132299351 /nfs/dbraw/zinc/29/93/51/132299351.db2.gz IZNBIVRVQZMBNG-UHFFFAOYSA-N 2 1 234.347 1.523 20 0 BDADMP CC[NH+]1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000044517738 322840567 /nfs/dbraw/zinc/84/05/67/322840567.db2.gz XFKDONMWPCFKAT-UHFFFAOYSA-N 2 1 240.376 1.360 20 0 BDADMP C([C@@H]1CC[N@@H+]([C@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000336180200 134119287 /nfs/dbraw/zinc/11/92/87/134119287.db2.gz JBBZASGKXXCYOS-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C([C@@H]1CC[N@H+]([C@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000336180200 134119288 /nfs/dbraw/zinc/11/92/88/134119288.db2.gz JBBZASGKXXCYOS-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP CC(C)OC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173744638 134274998 /nfs/dbraw/zinc/27/49/98/134274998.db2.gz FJIIBSPJPYOSFP-GFCCVEGCSA-N 2 1 242.363 1.212 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173744638 134274999 /nfs/dbraw/zinc/27/49/99/134274999.db2.gz FJIIBSPJPYOSFP-GFCCVEGCSA-N 2 1 242.363 1.212 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000219715693 134290704 /nfs/dbraw/zinc/29/07/04/134290704.db2.gz HBEXVRPDLFUEGG-LBPRGKRZSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)n1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000219715693 134290705 /nfs/dbraw/zinc/29/07/05/134290705.db2.gz HBEXVRPDLFUEGG-LBPRGKRZSA-N 2 1 236.363 1.635 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000178976418 134313916 /nfs/dbraw/zinc/31/39/16/134313916.db2.gz MWZWRTKIFBMGKK-CYBMUJFWSA-N 2 1 224.348 1.098 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCOCC1 ZINC000221048000 134318402 /nfs/dbraw/zinc/31/84/02/134318402.db2.gz IOXYXEXQDQXYBQ-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCOCC1 ZINC000221048000 134318403 /nfs/dbraw/zinc/31/84/03/134318403.db2.gz IOXYXEXQDQXYBQ-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181137064 134336664 /nfs/dbraw/zinc/33/66/64/134336664.db2.gz UGUWOWOPXXZSDW-XQQFMLRXSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223489988 134340030 /nfs/dbraw/zinc/34/00/30/134340030.db2.gz FHFOIWJLHVUVFY-XQQFMLRXSA-N 2 1 228.380 1.610 20 0 BDADMP c1cn(CCC[N@H+]2CC[C@@H](N3CCCC3)C2)cn1 ZINC000183171466 134348947 /nfs/dbraw/zinc/34/89/47/134348947.db2.gz IXOWKNRPUABMKD-CQSZACIVSA-N 2 1 248.374 1.443 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226331080 134360874 /nfs/dbraw/zinc/36/08/74/134360874.db2.gz CJWZJWKVFHNYDL-QJPTWQEYSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000227009443 134373071 /nfs/dbraw/zinc/37/30/71/134373071.db2.gz UZRAMLJYSGQYOL-KGLIPLIRSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCO)CC[C@H]21 ZINC000227342909 134377929 /nfs/dbraw/zinc/37/79/29/134377929.db2.gz YEAFRILIHGCUDH-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCO)CC[C@H]21 ZINC000227342909 134377930 /nfs/dbraw/zinc/37/79/30/134377930.db2.gz YEAFRILIHGCUDH-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCO)CC[C@H]21 ZINC000227342909 134377931 /nfs/dbraw/zinc/37/79/31/134377931.db2.gz YEAFRILIHGCUDH-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CCC[NH3+] ZINC000227744550 134392052 /nfs/dbraw/zinc/39/20/52/134392052.db2.gz QQKMIRZSHGSKEE-JTQLQIEISA-N 2 1 208.305 1.734 20 0 BDADMP COc1ccc(C[N@H+](C)CCC[NH3+])cc1O ZINC000227744269 134392136 /nfs/dbraw/zinc/39/21/36/134392136.db2.gz DOSZPIHKTIEQDW-UHFFFAOYSA-N 2 1 224.304 1.181 20 0 BDADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1O ZINC000227744269 134392137 /nfs/dbraw/zinc/39/21/37/134392137.db2.gz DOSZPIHKTIEQDW-UHFFFAOYSA-N 2 1 224.304 1.181 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248409763 135006179 /nfs/dbraw/zinc/00/61/79/135006179.db2.gz CUHKNBTVCKJBTK-AGIUHOORSA-N 2 1 226.364 1.437 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248409763 135006181 /nfs/dbraw/zinc/00/61/81/135006181.db2.gz CUHKNBTVCKJBTK-AGIUHOORSA-N 2 1 226.364 1.437 20 0 BDADMP C[NH+](C)CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250362990 135052435 /nfs/dbraw/zinc/05/24/35/135052435.db2.gz VUALUSZOYMUJJE-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP C[NH+](C)CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250362984 135052936 /nfs/dbraw/zinc/05/29/36/135052936.db2.gz VUALUSZOYMUJJE-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000250873260 135060761 /nfs/dbraw/zinc/06/07/61/135060761.db2.gz SVRYAZOWGHIGFH-FRRDWIJNSA-N 2 1 224.348 1.382 20 0 BDADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000250873260 135060763 /nfs/dbraw/zinc/06/07/63/135060763.db2.gz SVRYAZOWGHIGFH-FRRDWIJNSA-N 2 1 224.348 1.382 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000250979616 135061344 /nfs/dbraw/zinc/06/13/44/135061344.db2.gz BEQLPIWTWJNSJZ-STQMWFEESA-N 2 1 238.375 1.508 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251117497 135064518 /nfs/dbraw/zinc/06/45/18/135064518.db2.gz VOHKMNDNLRWFMR-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP COC[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000251354938 135068604 /nfs/dbraw/zinc/06/86/04/135068604.db2.gz UEANTOOXDPLGQA-MNOVXSKESA-N 2 1 202.342 1.327 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000251357628 135069234 /nfs/dbraw/zinc/06/92/34/135069234.db2.gz UPULBHXGRKMVNR-IHRRRGAJSA-N 2 1 240.391 1.874 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000251728336 135075336 /nfs/dbraw/zinc/07/53/36/135075336.db2.gz KFNFSPZBMNIOGG-BXUZGUMPSA-N 2 1 234.343 1.864 20 0 BDADMP CO[C@@H]1C[N@@H+](CCn2ccnc2)CC[C@@H]1C ZINC000251992975 135082425 /nfs/dbraw/zinc/08/24/25/135082425.db2.gz WBDVHGPDFVMIAW-NWDGAFQWSA-N 2 1 223.320 1.240 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000252177929 135085484 /nfs/dbraw/zinc/08/54/84/135085484.db2.gz SJJUWQBDHZKWCJ-VOAKCMCISA-N 2 1 228.380 1.323 20 0 BDADMP [NH3+][C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086839743 135097042 /nfs/dbraw/zinc/09/70/42/135097042.db2.gz VRDFBOFDTYMBNI-MRVPVSSYSA-N 2 1 211.696 1.663 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000252687459 135097197 /nfs/dbraw/zinc/09/71/97/135097197.db2.gz LJIKXHQFXQLEJM-BJDJZHNGSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000252687459 135097199 /nfs/dbraw/zinc/09/71/99/135097199.db2.gz LJIKXHQFXQLEJM-BJDJZHNGSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1c1cc[nH+]cc1Cl ZINC000086840070 135097411 /nfs/dbraw/zinc/09/74/11/135097411.db2.gz VFGRCPHWAKIICA-DTWKUNHWSA-N 2 1 225.723 1.922 20 0 BDADMP [NH3+]C[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086832931 135097571 /nfs/dbraw/zinc/09/75/71/135097571.db2.gz VBPVDRGKUIXOII-VIFPVBQESA-N 2 1 225.723 1.910 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000252733008 135104758 /nfs/dbraw/zinc/10/47/58/135104758.db2.gz XMGKHLIQBKAUEV-LOWDOPEQSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000252733008 135104759 /nfs/dbraw/zinc/10/47/59/135104759.db2.gz XMGKHLIQBKAUEV-LOWDOPEQSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC[NH3+])C1 ZINC000261554514 135109029 /nfs/dbraw/zinc/10/90/29/135109029.db2.gz UIFOQNCPMACZLK-ZYHUDNBSSA-N 2 1 214.353 1.112 20 0 BDADMP Cc1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc[nH+]1 ZINC000252946068 135117281 /nfs/dbraw/zinc/11/72/81/135117281.db2.gz MIOCBLFRQGXEHJ-KBPBESRZSA-N 2 1 247.342 1.665 20 0 BDADMP COCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253227180 135124445 /nfs/dbraw/zinc/12/44/45/135124445.db2.gz JRZHALIPDXOQHE-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000253245384 135125002 /nfs/dbraw/zinc/12/50/02/135125002.db2.gz GDZHSXZMRVPHJU-FRRDWIJNSA-N 2 1 240.391 1.874 20 0 BDADMP COCCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253227179 135125154 /nfs/dbraw/zinc/12/51/54/135125154.db2.gz JRZHALIPDXOQHE-NWDGAFQWSA-N 2 1 214.353 1.330 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257669813 135138597 /nfs/dbraw/zinc/13/85/97/135138597.db2.gz IDKFKXPRAGGGPJ-CYBMUJFWSA-N 2 1 224.348 1.098 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257687924 135139499 /nfs/dbraw/zinc/13/94/99/135139499.db2.gz MSBLFQLIKORPKU-CYBMUJFWSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257687924 135139500 /nfs/dbraw/zinc/13/95/00/135139500.db2.gz MSBLFQLIKORPKU-CYBMUJFWSA-N 2 1 234.347 1.294 20 0 BDADMP c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000257705017 135140208 /nfs/dbraw/zinc/14/02/08/135140208.db2.gz RBIRPQMSBAJVPJ-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000257705017 135140209 /nfs/dbraw/zinc/14/02/09/135140209.db2.gz RBIRPQMSBAJVPJ-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC[C@H]1CCCO1 ZINC000087472624 135143416 /nfs/dbraw/zinc/14/34/16/135143416.db2.gz ZCINQJHQCAUOLJ-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP C[C@H]1C[C@H](N(C)Cc2ccno2)CC[N@H+]1C ZINC000266002182 135146661 /nfs/dbraw/zinc/14/66/61/135146661.db2.gz OETLCHDAYJEYOU-WDEREUQCSA-N 2 1 223.320 1.589 20 0 BDADMP CCSCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261529969 135157048 /nfs/dbraw/zinc/15/70/48/135157048.db2.gz WJNFIHNZNATSAA-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261529969 135157049 /nfs/dbraw/zinc/15/70/49/135157049.db2.gz WJNFIHNZNATSAA-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000261530516 135158435 /nfs/dbraw/zinc/15/84/35/135158435.db2.gz CPRNBDXBYPYFSM-RYUDHWBXSA-N 2 1 222.357 1.932 20 0 BDADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000261530516 135158437 /nfs/dbraw/zinc/15/84/37/135158437.db2.gz CPRNBDXBYPYFSM-RYUDHWBXSA-N 2 1 222.357 1.932 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261531651 135160750 /nfs/dbraw/zinc/16/07/50/135160750.db2.gz HJTDWPXNFWLQQM-VIFPVBQESA-N 2 1 222.254 1.624 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261531651 135160752 /nfs/dbraw/zinc/16/07/52/135160752.db2.gz HJTDWPXNFWLQQM-VIFPVBQESA-N 2 1 222.254 1.624 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261534420 135166565 /nfs/dbraw/zinc/16/65/65/135166565.db2.gz MIRPFMYVLNACPP-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534521 135167587 /nfs/dbraw/zinc/16/75/87/135167587.db2.gz RRCUGPKUYSISFA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000261534690 135168257 /nfs/dbraw/zinc/16/82/57/135168257.db2.gz MXSSEKWTNDCVIZ-NWDGAFQWSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)OC[C@@H]2C)CC[NH2+]1 ZINC000261535035 135168757 /nfs/dbraw/zinc/16/87/57/135168757.db2.gz VZHXFYDLZVSCJQ-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]12 ZINC000261534868 135169218 /nfs/dbraw/zinc/16/92/18/135169218.db2.gz NGOWVAFESPMHPF-IWSPIJDZSA-N 2 1 222.254 1.608 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCC1 ZINC000261536324 135171311 /nfs/dbraw/zinc/17/13/11/135171311.db2.gz RGMJTHMAGCYOIY-SRVKXCTJSA-N 2 1 208.349 1.846 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261536539 135172528 /nfs/dbraw/zinc/17/25/28/135172528.db2.gz SBMKYFRDUKQKNM-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1ccccc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261537051 135172933 /nfs/dbraw/zinc/17/29/33/135172933.db2.gz URKCBNFTZWTUJP-WCQYABFASA-N 2 1 204.317 1.774 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261537051 135172935 /nfs/dbraw/zinc/17/29/35/135172935.db2.gz URKCBNFTZWTUJP-WCQYABFASA-N 2 1 204.317 1.774 20 0 BDADMP CC(C)[N@@H+](CCOCC[NH3+])C1CCC1 ZINC000261536916 135173568 /nfs/dbraw/zinc/17/35/68/135173568.db2.gz UFTAGIIENCFSMT-UHFFFAOYSA-N 2 1 200.326 1.225 20 0 BDADMP Cc1cc(C)cc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000261540467 135179378 /nfs/dbraw/zinc/17/93/78/135179378.db2.gz AFXPTZWRIHGUBT-UHFFFAOYSA-N 2 1 236.359 1.711 20 0 BDADMP CCCn1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000261541287 135181162 /nfs/dbraw/zinc/18/11/62/135181162.db2.gz JMRNMAOCXWYVQS-NEPJUHHUSA-N 2 1 236.363 1.462 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000261542680 135183415 /nfs/dbraw/zinc/18/34/15/135183415.db2.gz HDPYCFWMQMUFLH-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP COCC(C)(C)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000261543138 135183756 /nfs/dbraw/zinc/18/37/56/135183756.db2.gz HNEVUVQPIKLQMG-LLVKDONJSA-N 2 1 214.353 1.330 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261543053 135183857 /nfs/dbraw/zinc/18/38/57/135183857.db2.gz CRFAIOXXQKBQFR-QWHCGFSZSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261543053 135183859 /nfs/dbraw/zinc/18/38/59/135183859.db2.gz CRFAIOXXQKBQFR-QWHCGFSZSA-N 2 1 231.343 1.431 20 0 BDADMP C[C@H]1CCSCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261544523 135185766 /nfs/dbraw/zinc/18/57/66/135185766.db2.gz IYRKAOYZBPUQBP-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000084149022 135187527 /nfs/dbraw/zinc/18/75/27/135187527.db2.gz DCKOHSYNLWPTMU-LLVKDONJSA-N 2 1 239.388 1.931 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261550997 135190056 /nfs/dbraw/zinc/19/00/56/135190056.db2.gz LSHQQAOYGRXRNI-RWMBFGLXSA-N 2 1 234.347 1.072 20 0 BDADMP Cc1cnn(CC[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000261552900 135192351 /nfs/dbraw/zinc/19/23/51/135192351.db2.gz NLKJCPWDJGAKDO-ZDUSSCGKSA-N 2 1 236.363 1.395 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC2(CC2)C1 ZINC000261555472 135194882 /nfs/dbraw/zinc/19/48/82/135194882.db2.gz VAJUVVDRBCNFJK-UHFFFAOYSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@H]1OCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261555167 135195473 /nfs/dbraw/zinc/19/54/73/135195473.db2.gz UUNYVOUYWKTEFQ-WDEREUQCSA-N 2 1 212.337 1.095 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261556484 135197170 /nfs/dbraw/zinc/19/71/70/135197170.db2.gz QUKWIFZDKRRAPZ-UHTWSYAYSA-N 2 1 234.347 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261556484 135197171 /nfs/dbraw/zinc/19/71/71/135197171.db2.gz QUKWIFZDKRRAPZ-UHTWSYAYSA-N 2 1 234.347 1.072 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]12 ZINC000261562388 135203482 /nfs/dbraw/zinc/20/34/82/135203482.db2.gz BGPCIAHBKMXUNO-FVCCEPFGSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]12 ZINC000261562394 135203759 /nfs/dbraw/zinc/20/37/59/135203759.db2.gz BGPCIAHBKMXUNO-YVECIDJPSA-N 2 1 224.348 1.225 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261563818 135206336 /nfs/dbraw/zinc/20/63/36/135206336.db2.gz XLSXJIQCWKAXSD-ZDUSSCGKSA-N 2 1 233.359 1.868 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261567843 135209685 /nfs/dbraw/zinc/20/96/85/135209685.db2.gz ITFFOCLJFVNHRC-ZNMIVQPWSA-N 2 1 245.370 1.949 20 0 BDADMP Cn1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261569889 135211897 /nfs/dbraw/zinc/21/18/97/135211897.db2.gz KCFMJVFORBCBOF-OCCSQVGLSA-N 2 1 248.374 1.557 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000261570103 135212400 /nfs/dbraw/zinc/21/24/00/135212400.db2.gz GQCHSTGFNBPLIN-NSHDSACASA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCCC2(CCOCC2)C1 ZINC000261570103 135212401 /nfs/dbraw/zinc/21/24/01/135212401.db2.gz GQCHSTGFNBPLIN-NSHDSACASA-N 2 1 212.337 1.226 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCOCC2CC2)C1 ZINC000261571659 135213650 /nfs/dbraw/zinc/21/36/50/135213650.db2.gz HQXWLOBNMKPXPI-GFCCVEGCSA-N 2 1 212.337 1.084 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]12 ZINC000261572817 135214832 /nfs/dbraw/zinc/21/48/32/135214832.db2.gz IIMMPEVUXFGDGF-JHJVBQTASA-N 2 1 217.316 1.251 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261575507 135216820 /nfs/dbraw/zinc/21/68/20/135216820.db2.gz NDHBRKUISACHDZ-MELADBBJSA-N 2 1 248.374 1.633 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261575984 135217723 /nfs/dbraw/zinc/21/77/23/135217723.db2.gz NMHLMKPMEAHNDD-AEGPPILISA-N 2 1 246.354 1.864 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261578469 135219764 /nfs/dbraw/zinc/21/97/64/135219764.db2.gz PADCJAKRNZJABK-ZFWWWQNUSA-N 2 1 246.354 1.879 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261578469 135219765 /nfs/dbraw/zinc/21/97/65/135219765.db2.gz PADCJAKRNZJABK-ZFWWWQNUSA-N 2 1 246.354 1.879 20 0 BDADMP CCc1nc(N2CC[C@@H]([NH3+])[C@@H]2C)cc(C)[nH+]1 ZINC000261582009 135222291 /nfs/dbraw/zinc/22/22/91/135222291.db2.gz NXWZYQBSINJOOM-VHSXEESVSA-N 2 1 220.320 1.273 20 0 BDADMP C[C@@H]1C[C@H](N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000261584832 135225895 /nfs/dbraw/zinc/22/58/95/135225895.db2.gz QBGLPVOWVIQHCW-GHMZBOCLSA-N 2 1 213.369 1.138 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261587393 135228624 /nfs/dbraw/zinc/22/86/24/135228624.db2.gz UZVBSVJFEJNJJT-UONOGXRCSA-N 2 1 246.354 1.607 20 0 BDADMP C[C@H](c1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000261589055 135230013 /nfs/dbraw/zinc/23/00/13/135230013.db2.gz SWASEGDTZALRMG-GFCCVEGCSA-N 2 1 222.332 1.655 20 0 BDADMP Cc1ncccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000261595737 135235716 /nfs/dbraw/zinc/23/57/16/135235716.db2.gz YJMDDQPIXSXJDL-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP Cc1ncccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000261595737 135235717 /nfs/dbraw/zinc/23/57/17/135235717.db2.gz YJMDDQPIXSXJDL-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccncc1 ZINC000261596098 135236031 /nfs/dbraw/zinc/23/60/31/135236031.db2.gz YMVMNTTVBXOMLB-GFCCVEGCSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261609205 135237848 /nfs/dbraw/zinc/23/78/48/135237848.db2.gz BSIBUWAXRRWVIY-CYBMUJFWSA-N 2 1 219.332 1.440 20 0 BDADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccon2)CC1 ZINC000261546021 135238507 /nfs/dbraw/zinc/23/85/07/135238507.db2.gz KOHYSXGMBFFXCS-VIFPVBQESA-N 2 1 209.293 1.234 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261547001 135239121 /nfs/dbraw/zinc/23/91/21/135239121.db2.gz HQMYNTOTQNIQTD-QWHCGFSZSA-N 2 1 231.343 1.574 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261547001 135239123 /nfs/dbraw/zinc/23/91/23/135239123.db2.gz HQMYNTOTQNIQTD-QWHCGFSZSA-N 2 1 231.343 1.574 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261546970 135239378 /nfs/dbraw/zinc/23/93/78/135239378.db2.gz HORXWZHPOYBBGG-YRGRVCCFSA-N 2 1 231.343 1.826 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261546970 135239380 /nfs/dbraw/zinc/23/93/80/135239380.db2.gz HORXWZHPOYBBGG-YRGRVCCFSA-N 2 1 231.343 1.826 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC000164402128 135240355 /nfs/dbraw/zinc/24/03/55/135240355.db2.gz TULZYEMYDRUIAB-OUAUKWLOSA-N 2 1 200.301 1.405 20 0 BDADMP CCC1(C[N@H+]2CC[C@](C)(C[NH3+])C2)CCOCC1 ZINC000261685386 135246106 /nfs/dbraw/zinc/24/61/06/135246106.db2.gz KFPVSFRBJNKJKD-CYBMUJFWSA-N 2 1 240.391 1.864 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261749218 135249827 /nfs/dbraw/zinc/24/98/27/135249827.db2.gz CBSKYKYCVNPEET-KBPBESRZSA-N 2 1 240.391 1.471 20 0 BDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261751318 135249901 /nfs/dbraw/zinc/24/99/01/135249901.db2.gz JWAALBZVBRQNBA-KGLIPLIRSA-N 3 1 239.407 1.260 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261775059 135251448 /nfs/dbraw/zinc/25/14/48/135251448.db2.gz NDKWVNNTJATDJC-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCOCC1 ZINC000164420983 135253426 /nfs/dbraw/zinc/25/34/26/135253426.db2.gz VHSODRJDFMYEBG-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000261805569 135254227 /nfs/dbraw/zinc/25/42/27/135254227.db2.gz HHFRPOJTTLPIPF-MNOVXSKESA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000261805569 135254228 /nfs/dbraw/zinc/25/42/28/135254228.db2.gz HHFRPOJTTLPIPF-MNOVXSKESA-N 2 1 228.380 1.453 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261819446 135255149 /nfs/dbraw/zinc/25/51/49/135255149.db2.gz IGYYTWGFLNBVTL-CQSZACIVSA-N 2 1 240.391 1.471 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261831501 135256166 /nfs/dbraw/zinc/25/61/66/135256166.db2.gz JBVKQFVAPFAVNR-QWRGUYRKSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@H](O)C(C)(C)C2)CC[NH2+]C1 ZINC000261867832 135258487 /nfs/dbraw/zinc/25/84/87/135258487.db2.gz ODHSSCITLFOKPP-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261882474 135259892 /nfs/dbraw/zinc/25/98/92/135259892.db2.gz UTJJXJNTGLIFIA-GFCCVEGCSA-N 2 1 222.336 1.197 20 0 BDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261933386 135264256 /nfs/dbraw/zinc/26/42/56/135264256.db2.gz LUTBEAOXIUMUMC-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000261947287 135265119 /nfs/dbraw/zinc/26/51/19/135265119.db2.gz FMQXIYLBHSKBJD-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP c1nc(C2CC2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261968513 135266734 /nfs/dbraw/zinc/26/67/34/135266734.db2.gz QDDNLOBCADYYMY-PHIMTYICSA-N 2 1 249.383 1.672 20 0 BDADMP c1nc(C2CC2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000261968513 135266735 /nfs/dbraw/zinc/26/67/35/135266735.db2.gz QDDNLOBCADYYMY-PHIMTYICSA-N 2 1 249.383 1.672 20 0 BDADMP CO[C@@H](C)C[N@@H+](C[C@]1(C)CC[NH2+]C1)C(C)C ZINC000261975265 135268771 /nfs/dbraw/zinc/26/87/71/135268771.db2.gz IQXHNQIBHBGQPG-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000261978244 135268904 /nfs/dbraw/zinc/26/89/04/135268904.db2.gz RBXDFVFJULENBW-LBPRGKRZSA-N 2 1 248.374 1.318 20 0 BDADMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000261978244 135268905 /nfs/dbraw/zinc/26/89/05/135268905.db2.gz RBXDFVFJULENBW-LBPRGKRZSA-N 2 1 248.374 1.318 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000261986673 135269762 /nfs/dbraw/zinc/26/97/62/135269762.db2.gz RXWFKULFGDYVOU-AAEUAGOBSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000261986673 135269763 /nfs/dbraw/zinc/26/97/63/135269763.db2.gz RXWFKULFGDYVOU-AAEUAGOBSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261998125 135271063 /nfs/dbraw/zinc/27/10/63/135271063.db2.gz TVQNWBLQSCWQFF-IACUBPJLSA-N 2 1 248.374 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261998125 135271065 /nfs/dbraw/zinc/27/10/65/135271065.db2.gz TVQNWBLQSCWQFF-IACUBPJLSA-N 2 1 248.374 1.633 20 0 BDADMP C[C@]1(C[N@@H+]2CCc3ccc(O)cc3C2)CC[NH2+]C1 ZINC000262078211 135278033 /nfs/dbraw/zinc/27/80/33/135278033.db2.gz STSREFALOULFMR-HNNXBMFYSA-N 2 1 246.354 1.750 20 0 BDADMP C[C@]1(C[N@H+]2CCc3ccc(O)cc3C2)CC[NH2+]C1 ZINC000262078211 135278034 /nfs/dbraw/zinc/27/80/34/135278034.db2.gz STSREFALOULFMR-HNNXBMFYSA-N 2 1 246.354 1.750 20 0 BDADMP Cn1cc([C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)cn1 ZINC000262103510 135278931 /nfs/dbraw/zinc/27/89/31/135278931.db2.gz VTZBFOCCVLKTMC-TZMCWYRMSA-N 2 1 248.374 1.209 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262144621 135281490 /nfs/dbraw/zinc/28/14/90/135281490.db2.gz ZKTXBLNUGNXVJE-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000262289953 135290426 /nfs/dbraw/zinc/29/04/26/135290426.db2.gz VXBBHFHXIFRLMU-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000262289952 135290491 /nfs/dbraw/zinc/29/04/91/135290491.db2.gz VXBBHFHXIFRLMU-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCC[C@H]1O ZINC000262288857 135290829 /nfs/dbraw/zinc/29/08/29/135290829.db2.gz VUCZFVXYVPGQQJ-UONOGXRCSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000305823738 135358015 /nfs/dbraw/zinc/35/80/15/135358015.db2.gz RRZVZBUWHLZVDN-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000305823738 135358017 /nfs/dbraw/zinc/35/80/17/135358017.db2.gz RRZVZBUWHLZVDN-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000305823738 135358019 /nfs/dbraw/zinc/35/80/19/135358019.db2.gz RRZVZBUWHLZVDN-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334391058 135386473 /nfs/dbraw/zinc/38/64/73/135386473.db2.gz USYXOKHVURBKPE-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]CC1CCOCC1)CC2 ZINC000366803496 135458944 /nfs/dbraw/zinc/45/89/44/135458944.db2.gz YVHMNUIXRVSHRV-ZDUSSCGKSA-N 2 1 249.358 1.462 20 0 BDADMP Oc1cccnc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347883703 136014828 /nfs/dbraw/zinc/01/48/28/136014828.db2.gz VIXKYRVEYUCOIZ-VXGBXAGGSA-N 2 1 247.342 1.504 20 0 BDADMP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000348102002 136036432 /nfs/dbraw/zinc/03/64/32/136036432.db2.gz KFTMPLWJZOQZMY-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]1CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000348105958 136036957 /nfs/dbraw/zinc/03/69/57/136036957.db2.gz OWVRTGHPJDYQRP-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000348152232 136039647 /nfs/dbraw/zinc/03/96/47/136039647.db2.gz BJZBRVIRAMHDRS-KATARQTJSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000348152232 136039648 /nfs/dbraw/zinc/03/96/48/136039648.db2.gz BJZBRVIRAMHDRS-KATARQTJSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cnn(C)c1 ZINC000348309976 136066532 /nfs/dbraw/zinc/06/65/32/136066532.db2.gz QCPRBFDVCWPJKZ-DGCLKSJQSA-N 2 1 236.363 1.555 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cnn(C)c1 ZINC000348309976 136066533 /nfs/dbraw/zinc/06/65/33/136066533.db2.gz QCPRBFDVCWPJKZ-DGCLKSJQSA-N 2 1 236.363 1.555 20 0 BDADMP CC(C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335394292 136091766 /nfs/dbraw/zinc/09/17/66/136091766.db2.gz GTAOYFJGFKCWQM-NSHDSACASA-N 2 1 212.337 1.082 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCO3)C2)C1 ZINC000335569825 136108577 /nfs/dbraw/zinc/10/85/77/136108577.db2.gz ICJJXQLFWXAKCP-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCCO3)C2)C1 ZINC000335569825 136108578 /nfs/dbraw/zinc/10/85/78/136108578.db2.gz ICJJXQLFWXAKCP-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCCO3)C2)C1 ZINC000335569825 136108579 /nfs/dbraw/zinc/10/85/79/136108579.db2.gz ICJJXQLFWXAKCP-CHWSQXEVSA-N 2 1 224.348 1.193 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000335570386 136109162 /nfs/dbraw/zinc/10/91/62/136109162.db2.gz NBDDVQNAZHIKSU-STQMWFEESA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000335570386 136109163 /nfs/dbraw/zinc/10/91/63/136109163.db2.gz NBDDVQNAZHIKSU-STQMWFEESA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000335570386 136109164 /nfs/dbraw/zinc/10/91/64/136109164.db2.gz NBDDVQNAZHIKSU-STQMWFEESA-N 2 1 224.348 1.051 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000335570385 136109554 /nfs/dbraw/zinc/10/95/54/136109554.db2.gz NBDDVQNAZHIKSU-QWHCGFSZSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000335570385 136109555 /nfs/dbraw/zinc/10/95/55/136109555.db2.gz NBDDVQNAZHIKSU-QWHCGFSZSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000335570385 136109556 /nfs/dbraw/zinc/10/95/56/136109556.db2.gz NBDDVQNAZHIKSU-QWHCGFSZSA-N 2 1 224.348 1.051 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCO3)C2)C1 ZINC000335569826 136109611 /nfs/dbraw/zinc/10/96/11/136109611.db2.gz ICJJXQLFWXAKCP-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCCO3)C2)C1 ZINC000335569826 136109612 /nfs/dbraw/zinc/10/96/12/136109612.db2.gz ICJJXQLFWXAKCP-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCCO3)C2)C1 ZINC000335569826 136109613 /nfs/dbraw/zinc/10/96/13/136109613.db2.gz ICJJXQLFWXAKCP-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCNCC2(C)C)CC[NH2+]1 ZINC000647500456 397759072 /nfs/dbraw/zinc/75/90/72/397759072.db2.gz REZZGEPYLHOBCZ-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@H](CN2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000647500456 397759074 /nfs/dbraw/zinc/75/90/74/397759074.db2.gz REZZGEPYLHOBCZ-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CC[NH2+]C1 ZINC000647514048 397772012 /nfs/dbraw/zinc/77/20/12/397772012.db2.gz DHNLECZQGVWBJP-JSGCOSHPSA-N 2 1 248.374 1.589 20 0 BDADMP CSC[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC000162308771 397778627 /nfs/dbraw/zinc/77/86/27/397778627.db2.gz YDWUGNOYAPPSJL-LLVKDONJSA-N 2 1 225.361 1.711 20 0 BDADMP Cc1nn(C)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531244 397779172 /nfs/dbraw/zinc/77/91/72/397779172.db2.gz JKLFUGPOEBZFMZ-UHFFFAOYSA-N 2 1 222.336 1.042 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000082594519 397966920 /nfs/dbraw/zinc/96/69/20/397966920.db2.gz GXAVJCHAUOUYQP-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000390556397 397895684 /nfs/dbraw/zinc/89/56/84/397895684.db2.gz QPJIICAKESBATH-TUAOUCFPSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000390556397 397895686 /nfs/dbraw/zinc/89/56/86/397895686.db2.gz QPJIICAKESBATH-TUAOUCFPSA-N 2 1 226.389 1.423 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000011891409 397901795 /nfs/dbraw/zinc/90/17/95/397901795.db2.gz HGPKPSAMLUWWOR-AWEZNQCLSA-N 2 1 218.344 1.900 20 0 BDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924749 397989727 /nfs/dbraw/zinc/98/97/27/397989727.db2.gz HQMLDQOLYRNWKE-UHFFFAOYSA-N 3 1 236.363 1.395 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414705277 398021399 /nfs/dbraw/zinc/02/13/99/398021399.db2.gz LIBPHHYBFXBYBA-KGLIPLIRSA-N 2 1 241.423 1.633 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]21 ZINC000163665665 398030879 /nfs/dbraw/zinc/03/08/79/398030879.db2.gz MSRUTIOSCBMISJ-LPEHRKFASA-N 2 1 236.281 1.998 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H](C)[NH3+] ZINC000414818569 398043379 /nfs/dbraw/zinc/04/33/79/398043379.db2.gz FLQRDZUJVLWKKT-XQQFMLRXSA-N 3 1 227.396 1.624 20 0 BDADMP CC[C@H]1C[N@@H+](CCn2ccnc2)[C@H](C)CO1 ZINC000649735841 398076879 /nfs/dbraw/zinc/07/68/79/398076879.db2.gz RLTSWWFPTYYGHD-NEPJUHHUSA-N 2 1 223.320 1.382 20 0 BDADMP CC[C@H]1CN(CCn2ccnc2)[C@H](C)CO1 ZINC000649735841 398076884 /nfs/dbraw/zinc/07/68/84/398076884.db2.gz RLTSWWFPTYYGHD-NEPJUHHUSA-N 2 1 223.320 1.382 20 0 BDADMP CC[N@@H+](CCn1ccnc1C)[C@@H]1CCCOC1 ZINC000649755693 398085883 /nfs/dbraw/zinc/08/58/83/398085883.db2.gz VCGBPXRKAZDNHI-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000649755693 398085886 /nfs/dbraw/zinc/08/58/86/398085886.db2.gz VCGBPXRKAZDNHI-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000649755693 398085889 /nfs/dbraw/zinc/08/58/89/398085889.db2.gz VCGBPXRKAZDNHI-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCOC1 ZINC000649755864 398087259 /nfs/dbraw/zinc/08/72/59/398087259.db2.gz ZTPSSDOQJDDDEZ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCOC1 ZINC000649755864 398087260 /nfs/dbraw/zinc/08/72/60/398087260.db2.gz ZTPSSDOQJDDDEZ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000649755864 398087261 /nfs/dbraw/zinc/08/72/61/398087261.db2.gz ZTPSSDOQJDDDEZ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090725067 398111462 /nfs/dbraw/zinc/11/14/62/398111462.db2.gz NMKKRVILNCXHMV-GRYCIOLGSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436377 398130307 /nfs/dbraw/zinc/13/03/07/398130307.db2.gz PGPQDISKVNFHKQ-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[NH2+]CCN1CCC2(CCC[N@H+]2C)CC1 ZINC000369128997 167104673 /nfs/dbraw/zinc/10/46/73/167104673.db2.gz ZWYRTNKBEJQWCN-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339432675 167233791 /nfs/dbraw/zinc/23/37/91/167233791.db2.gz KCSUTXPIXUMIFH-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339432675 167233794 /nfs/dbraw/zinc/23/37/94/167233794.db2.gz KCSUTXPIXUMIFH-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339432675 167233796 /nfs/dbraw/zinc/23/37/96/167233796.db2.gz KCSUTXPIXUMIFH-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309583954 167263839 /nfs/dbraw/zinc/26/38/39/167263839.db2.gz RFEQUBJLDLHRQJ-LBPRGKRZSA-N 2 1 226.364 1.651 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CS1 ZINC000086935238 487591923 /nfs/dbraw/zinc/59/19/23/487591923.db2.gz RNEPDSPDROAUAZ-GRYCIOLGSA-N 2 1 240.416 1.954 20 0 BDADMP CC1(C)CCCC[C@H]1C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000662265183 409559550 /nfs/dbraw/zinc/55/95/50/409559550.db2.gz GCNLPGQAGFULKP-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)C(C)C ZINC000662255364 409550796 /nfs/dbraw/zinc/55/07/96/409550796.db2.gz YCKLKMIIRRFKMF-STQMWFEESA-N 2 1 240.391 1.874 20 0 BDADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCF)CCO1 ZINC000662324851 409639129 /nfs/dbraw/zinc/63/91/29/409639129.db2.gz ZDGJBWIJYCOJMF-ZDUSSCGKSA-N 2 1 246.370 1.779 20 0 BDADMP CO[C@@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)C1CCC1 ZINC000662273159 409580680 /nfs/dbraw/zinc/58/06/80/409580680.db2.gz LWRUIYLOHWFRAI-STQMWFEESA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)C1CCC1 ZINC000662273159 409580688 /nfs/dbraw/zinc/58/06/88/409580688.db2.gz LWRUIYLOHWFRAI-STQMWFEESA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)=CCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000662281808 409603194 /nfs/dbraw/zinc/60/31/94/409603194.db2.gz PHEVDENCMADONC-LBPRGKRZSA-N 2 1 212.337 1.392 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000308731115 409903604 /nfs/dbraw/zinc/90/36/04/409903604.db2.gz TUCZSFUACBWLMN-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000308888513 409935200 /nfs/dbraw/zinc/93/52/00/409935200.db2.gz XJQBCCNSIORPBS-RYUDHWBXSA-N 3 1 215.385 1.434 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)n1 ZINC000386827697 487611920 /nfs/dbraw/zinc/61/19/20/487611920.db2.gz VGXYXZXAODSCKA-DGCLKSJQSA-N 2 1 236.363 1.312 20 0 BDADMP C[C@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH3+] ZINC000335253468 487612859 /nfs/dbraw/zinc/61/28/59/487612859.db2.gz VJQVXWKHNWANFY-LBPRGKRZSA-N 2 1 233.359 1.676 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3C[C@H]3C2)CC[NH2+]1 ZINC000663501137 410277841 /nfs/dbraw/zinc/27/78/41/410277841.db2.gz SQMQZWRNCAGEEJ-NDBYEHHHSA-N 2 1 208.349 1.716 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000650714779 410346786 /nfs/dbraw/zinc/34/67/86/410346786.db2.gz BNXQJFWYKVDETP-JSGCOSHPSA-N 2 1 242.407 1.700 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc21 ZINC000650747524 410387624 /nfs/dbraw/zinc/38/76/24/410387624.db2.gz BSYYBXZHBYFYIX-UONOGXRCSA-N 2 1 245.370 1.850 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748652 410390221 /nfs/dbraw/zinc/39/02/21/410390221.db2.gz YWJXASOXWJKIPA-NWDGAFQWSA-N 2 1 225.380 1.365 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650755782 410400740 /nfs/dbraw/zinc/40/07/40/410400740.db2.gz MQRQMERNCXKGEY-UWVGGRQHSA-N 2 1 239.338 1.500 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCSCC1 ZINC000309259415 410668450 /nfs/dbraw/zinc/66/84/50/410668450.db2.gz OVVBCUKMNMSSOI-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCSCC1 ZINC000309259415 410668455 /nfs/dbraw/zinc/66/84/55/410668455.db2.gz OVVBCUKMNMSSOI-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCSCC1 ZINC000309259415 410668462 /nfs/dbraw/zinc/66/84/62/410668462.db2.gz OVVBCUKMNMSSOI-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCSCC1 ZINC000309259415 410668467 /nfs/dbraw/zinc/66/84/67/410668467.db2.gz OVVBCUKMNMSSOI-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@H]1C[C@@H](NCC2([NH3+])CCCC2)C[N@H+]1C1CC1 ZINC000665249409 410731984 /nfs/dbraw/zinc/73/19/84/410731984.db2.gz PUCQQAYLHZREKF-NWDGAFQWSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)CN1C1CC1 ZINC000665249409 410731990 /nfs/dbraw/zinc/73/19/90/410731990.db2.gz PUCQQAYLHZREKF-NWDGAFQWSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@H](C1CC1)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000393735459 410757207 /nfs/dbraw/zinc/75/72/07/410757207.db2.gz BFOYMYFJJKCXTQ-MNOVXSKESA-N 2 1 208.349 1.859 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000665297375 410814103 /nfs/dbraw/zinc/81/41/03/410814103.db2.gz DVQLEPDPSPYPTC-STQMWFEESA-N 2 1 235.375 1.990 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631301 166970083 /nfs/dbraw/zinc/97/00/83/166970083.db2.gz ABHMXALCWMQVBN-OLZOCXBDSA-N 2 1 210.365 1.964 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309238504 410903575 /nfs/dbraw/zinc/90/35/75/410903575.db2.gz KCKDXCXPEGOUFB-YNEHKIRRSA-N 2 1 230.396 1.712 20 0 BDADMP CC(C)OCCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000336741874 167209605 /nfs/dbraw/zinc/20/96/05/167209605.db2.gz NOSSOZISAZJNNB-UHFFFAOYSA-N 2 1 216.369 1.718 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1(C)CC1 ZINC000309282706 410916401 /nfs/dbraw/zinc/91/64/01/410916401.db2.gz UEUZFLJYBRSRHB-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1(C)CC1 ZINC000309282706 410916407 /nfs/dbraw/zinc/91/64/07/410916407.db2.gz UEUZFLJYBRSRHB-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000309282706 410916410 /nfs/dbraw/zinc/91/64/10/410916410.db2.gz UEUZFLJYBRSRHB-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000309282706 410916414 /nfs/dbraw/zinc/91/64/14/410916414.db2.gz UEUZFLJYBRSRHB-RYUDHWBXSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)OCCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000336747411 167226701 /nfs/dbraw/zinc/22/67/01/167226701.db2.gz SAEPNVIXGGMOKO-GFCCVEGCSA-N 2 1 214.353 1.519 20 0 BDADMP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196382 167233139 /nfs/dbraw/zinc/23/31/39/167233139.db2.gz VUIGMVWZMCOGJA-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196382 167233140 /nfs/dbraw/zinc/23/31/40/167233140.db2.gz VUIGMVWZMCOGJA-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000397245642 410917996 /nfs/dbraw/zinc/91/79/96/410917996.db2.gz NKVQQQGACJUOIW-VXGBXAGGSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337330528 167265776 /nfs/dbraw/zinc/26/57/76/167265776.db2.gz GNOFIBFUAZROJU-STQMWFEESA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000305164050 167379874 /nfs/dbraw/zinc/37/98/74/167379874.db2.gz XVDZVAPSAQFHPA-KGLIPLIRSA-N 2 1 242.407 1.857 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCCCO ZINC000398505150 410970723 /nfs/dbraw/zinc/97/07/23/410970723.db2.gz BFAAQZROBZZPQV-NEPJUHHUSA-N 2 1 216.369 1.645 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425532 411003656 /nfs/dbraw/zinc/00/36/56/411003656.db2.gz GJRWQSGRFXYQMH-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC)c1ccccc1 ZINC000052019420 169797465 /nfs/dbraw/zinc/79/74/65/169797465.db2.gz ATVSACWZUUADGP-ZDUSSCGKSA-N 2 1 248.374 1.813 20 0 BDADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000107786891 411139225 /nfs/dbraw/zinc/13/92/25/411139225.db2.gz ZEELXLCTAUWKDY-VHSXEESVSA-N 2 1 208.305 1.693 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC3(CCC3)C2)CC[N@@H+]1C ZINC000657890288 411154684 /nfs/dbraw/zinc/15/46/84/411154684.db2.gz PBLAIWODSNMLND-FRRDWIJNSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC3(CCC3)C2)CC[N@H+]1C ZINC000657890288 411154687 /nfs/dbraw/zinc/15/46/87/411154687.db2.gz PBLAIWODSNMLND-FRRDWIJNSA-N 2 1 238.375 1.770 20 0 BDADMP Cc1noc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)n1 ZINC000655949201 411161106 /nfs/dbraw/zinc/16/11/06/411161106.db2.gz PJZOVNDAGFUFHL-NSHDSACASA-N 2 1 238.335 1.200 20 0 BDADMP Cc1noc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)n1 ZINC000655949201 411161111 /nfs/dbraw/zinc/16/11/11/411161111.db2.gz PJZOVNDAGFUFHL-NSHDSACASA-N 2 1 238.335 1.200 20 0 BDADMP C[C@@H](O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000655949222 411161195 /nfs/dbraw/zinc/16/11/95/411161195.db2.gz PZOHAHFESDXGAV-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000652151468 411161462 /nfs/dbraw/zinc/16/14/62/411161462.db2.gz UBURMMDOCYVZDW-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CC[NH2+]C1 ZINC000214059897 411109229 /nfs/dbraw/zinc/10/92/29/411109229.db2.gz DGECKAFFKAXLIU-LBPRGKRZSA-N 2 1 248.326 1.457 20 0 BDADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CC[NH2+]C1 ZINC000214059897 411109231 /nfs/dbraw/zinc/10/92/31/411109231.db2.gz DGECKAFFKAXLIU-LBPRGKRZSA-N 2 1 248.326 1.457 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401000715 411168422 /nfs/dbraw/zinc/16/84/22/411168422.db2.gz BEHQWUQEHKNBFF-BFHYXJOUSA-N 3 1 248.374 1.169 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCCC[C@@H]1CO ZINC000653784010 411170435 /nfs/dbraw/zinc/17/04/35/411170435.db2.gz BMTUADDBSLTIAB-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1COC(C)(C)C1 ZINC000660464387 411172677 /nfs/dbraw/zinc/17/26/77/411172677.db2.gz PAWDSLIAPRWNRR-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1COC(C)(C)C1 ZINC000660464387 411172681 /nfs/dbraw/zinc/17/26/81/411172681.db2.gz PAWDSLIAPRWNRR-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[C@@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800422 411183651 /nfs/dbraw/zinc/18/36/51/411183651.db2.gz JRAGWWSEEAJTDP-CYBMUJFWSA-N 2 1 227.396 1.260 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000655754150 411184430 /nfs/dbraw/zinc/18/44/30/411184430.db2.gz NVCUILPROPIYHK-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C(C)C ZINC000656152500 411187579 /nfs/dbraw/zinc/18/75/79/411187579.db2.gz KSDCTAQOSKQVPW-CHWSQXEVSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+](C)C[C@@H](O)CN1CC(C)(C)[C@H]1C(C)C ZINC000656152500 411187583 /nfs/dbraw/zinc/18/75/83/411187583.db2.gz KSDCTAQOSKQVPW-CHWSQXEVSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)[C@H]1C(C)C ZINC000656152500 411187586 /nfs/dbraw/zinc/18/75/86/411187586.db2.gz KSDCTAQOSKQVPW-CHWSQXEVSA-N 2 1 242.407 1.665 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657983394 411188567 /nfs/dbraw/zinc/18/85/67/411188567.db2.gz TYZTYWBYYDECBV-LLVKDONJSA-N 2 1 235.331 1.264 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CCC2)CC[N@H+]1C ZINC000652311604 411198176 /nfs/dbraw/zinc/19/81/76/411198176.db2.gz RNQYFZKZTWAQAT-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1noc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000656194601 411201378 /nfs/dbraw/zinc/20/13/78/411201378.db2.gz MJTDWAXZUKRKBE-KOLCDFICSA-N 2 1 238.335 1.198 20 0 BDADMP Cc1noc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000656194601 411201379 /nfs/dbraw/zinc/20/13/79/411201379.db2.gz MJTDWAXZUKRKBE-KOLCDFICSA-N 2 1 238.335 1.198 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ncn1 ZINC000656198145 411203256 /nfs/dbraw/zinc/20/32/56/411203256.db2.gz HTTCMKXWFOQURJ-GHMZBOCLSA-N 2 1 220.320 1.145 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656200964 411203922 /nfs/dbraw/zinc/20/39/22/411203922.db2.gz GSXUHWCEVMZHFF-IGQOVBAYSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000656200964 411203923 /nfs/dbraw/zinc/20/39/23/411203923.db2.gz GSXUHWCEVMZHFF-IGQOVBAYSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCCN1 ZINC000656199680 411204336 /nfs/dbraw/zinc/20/43/36/411204336.db2.gz AWKZURVZDGZXLY-YIYPIFLZSA-N 2 1 239.407 1.447 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCCC[C@H]2N)C1 ZINC000656200121 411204889 /nfs/dbraw/zinc/20/48/89/411204889.db2.gz JXZVQXYICSEAFW-RQJABVFESA-N 2 1 239.407 1.576 20 0 BDADMP C[N@@H+](CCOC(C)(C)C)CC[C@H]1CC[NH2+]C1 ZINC000652343685 411207983 /nfs/dbraw/zinc/20/79/83/411207983.db2.gz FPWGGPRJADIGHW-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652353520 411211706 /nfs/dbraw/zinc/21/17/06/411211706.db2.gz NXLKAHGPSGFVNO-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652353520 411211707 /nfs/dbraw/zinc/21/17/07/411211707.db2.gz NXLKAHGPSGFVNO-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652353518 411212205 /nfs/dbraw/zinc/21/22/05/411212205.db2.gz NXLKAHGPSGFVNO-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652353518 411212209 /nfs/dbraw/zinc/21/22/09/411212209.db2.gz NXLKAHGPSGFVNO-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652355680 411215419 /nfs/dbraw/zinc/21/54/19/411215419.db2.gz DHYHTRZUMXGEFS-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP [NH3+]CCC1CC[NH+](Cc2ccon2)CC1 ZINC000652359407 411216567 /nfs/dbraw/zinc/21/65/67/411216567.db2.gz VEGSWRWMARQETG-UHFFFAOYSA-N 2 1 209.293 1.235 20 0 BDADMP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000049237855 411229525 /nfs/dbraw/zinc/22/95/25/411229525.db2.gz ALBZHYJIRJZKGP-LBPRGKRZSA-N 2 1 208.349 1.907 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000422883706 411233418 /nfs/dbraw/zinc/23/34/18/411233418.db2.gz VKTUNLYJJQJGOE-KBPBESRZSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@H]([NH2+][C@@H](C)C1CC1)c1c[nH+]ccc1N ZINC000422938909 411234708 /nfs/dbraw/zinc/23/47/08/411234708.db2.gz LHOGKNAJSFGYNJ-IUCAKERBSA-N 2 1 205.305 1.943 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000423173489 411235847 /nfs/dbraw/zinc/23/58/47/411235847.db2.gz YYPKCLPHPBSMTP-CIUDSAMLSA-N 2 1 213.350 1.920 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CS1 ZINC000423193712 411237409 /nfs/dbraw/zinc/23/74/09/411237409.db2.gz WAPVBHUOJWNMPU-CHWFTXMASA-N 2 1 214.378 1.468 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050952755 411269138 /nfs/dbraw/zinc/26/91/38/411269138.db2.gz AYEQQSFLLOLENG-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000051890074 411285301 /nfs/dbraw/zinc/28/53/01/411285301.db2.gz UAIIAUXPCOZKKR-LBPRGKRZSA-N 2 1 222.307 1.867 20 0 BDADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000658190290 411286174 /nfs/dbraw/zinc/28/61/74/411286174.db2.gz QAKLUXQLXGHQIE-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000401699119 411287164 /nfs/dbraw/zinc/28/71/64/411287164.db2.gz NEBCVMCSANXHMA-YPMHNXCESA-N 2 1 236.334 1.956 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000401699117 411287195 /nfs/dbraw/zinc/28/71/95/411287195.db2.gz NEBCVMCSANXHMA-WCQYABFASA-N 2 1 236.334 1.956 20 0 BDADMP CC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062032993 411296528 /nfs/dbraw/zinc/29/65/28/411296528.db2.gz RODKXXCHOKDOAP-UHFFFAOYSA-N 2 1 224.348 1.383 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000310944243 411298700 /nfs/dbraw/zinc/29/87/00/411298700.db2.gz KLRXEEBCBIGMKG-HNNXBMFYSA-N 2 1 246.354 1.920 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000310944243 411298706 /nfs/dbraw/zinc/29/87/06/411298706.db2.gz KLRXEEBCBIGMKG-HNNXBMFYSA-N 2 1 246.354 1.920 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(O)cc3)C2)C1 ZINC000310944243 411298709 /nfs/dbraw/zinc/29/87/09/411298709.db2.gz KLRXEEBCBIGMKG-HNNXBMFYSA-N 2 1 246.354 1.920 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(O)cc3)C2)C1 ZINC000310944243 411298712 /nfs/dbraw/zinc/29/87/12/411298712.db2.gz KLRXEEBCBIGMKG-HNNXBMFYSA-N 2 1 246.354 1.920 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000401719404 411299420 /nfs/dbraw/zinc/29/94/20/411299420.db2.gz INFAMZNVMVVBPV-SDDRHHMPSA-N 2 1 212.337 1.143 20 0 BDADMP CCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471000 411302348 /nfs/dbraw/zinc/30/23/48/411302348.db2.gz DPBFKFOMSOCFDY-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1cc(N2CC3CC2(C[NH3+])C3)nc(C)[nH+]1 ZINC000656612161 411310623 /nfs/dbraw/zinc/31/06/23/411310623.db2.gz WRZOYDKBVGIUKK-UHFFFAOYSA-N 2 1 218.304 1.021 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CC2)CC[N@H+]1C ZINC000658252116 411314691 /nfs/dbraw/zinc/31/46/91/411314691.db2.gz YQAQSCLMYIKVPQ-KWCYVHTRSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCOC1 ZINC000402782016 411316711 /nfs/dbraw/zinc/31/67/11/411316711.db2.gz OAQHUHWXUPYEMW-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC[N@@H+]1C ZINC000658256204 411317243 /nfs/dbraw/zinc/31/72/43/411317243.db2.gz UOFATVGQLYWFFZ-FDYHWXHSSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC[N@H+]1C ZINC000658256204 411317246 /nfs/dbraw/zinc/31/72/46/411317246.db2.gz UOFATVGQLYWFFZ-FDYHWXHSSA-N 2 1 238.375 1.362 20 0 BDADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050247462 411255697 /nfs/dbraw/zinc/25/56/97/411255697.db2.gz UHIUEDQBGGEEHU-AWEZNQCLSA-N 2 1 248.370 1.963 20 0 BDADMP c1c(C2CC[NH2+]CC2)nnn1-c1cc[nH+]cc1 ZINC000656440346 411257559 /nfs/dbraw/zinc/25/75/59/411257559.db2.gz DYTQXQFMCRWNLP-UHFFFAOYSA-N 2 1 229.287 1.129 20 0 BDADMP CCC[C@H]([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656441079 411259048 /nfs/dbraw/zinc/25/90/48/411259048.db2.gz SBFQDDYIFQPSKQ-JTQLQIEISA-N 2 1 217.276 1.462 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H](C)C(C)(C)C)CCO1 ZINC000304282617 411358721 /nfs/dbraw/zinc/35/87/21/411358721.db2.gz MLCOKDJPUDWUBO-GRYCIOLGSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)O1 ZINC000130585124 411358829 /nfs/dbraw/zinc/35/88/29/411358829.db2.gz QLQLWIOACUPGDD-ITGHMWBKSA-N 2 1 238.375 1.613 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788061 411366941 /nfs/dbraw/zinc/36/69/41/411366941.db2.gz OJCXSGNNDNFXIM-MCIONIFRSA-N 2 1 240.391 1.718 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788061 411366946 /nfs/dbraw/zinc/36/69/46/411366946.db2.gz OJCXSGNNDNFXIM-MCIONIFRSA-N 2 1 240.391 1.718 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000656789594 411369111 /nfs/dbraw/zinc/36/91/11/411369111.db2.gz RSXZCJCXHVYNSI-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000656790802 411370517 /nfs/dbraw/zinc/37/05/17/411370517.db2.gz ARLVBTCZGGQXHP-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@H+](CC1=CCCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000656790673 411370892 /nfs/dbraw/zinc/37/08/92/411370892.db2.gz IKJAMEHZYWKJAY-GFCCVEGCSA-N 2 1 224.348 1.265 20 0 BDADMP Cc1cc(N(C)[C@@H](C[NH3+])C2CC2)nc(C)[nH+]1 ZINC000126819672 411458743 /nfs/dbraw/zinc/45/87/43/411458743.db2.gz PHYLPANNRVJXEY-NSHDSACASA-N 2 1 220.320 1.267 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCn2cccn2)[C@H]1CC[NH3+] ZINC000404384481 411392151 /nfs/dbraw/zinc/39/21/51/411392151.db2.gz NQLORVYCEKHICK-OLZOCXBDSA-N 2 1 236.363 1.332 20 0 BDADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CCc2ccccc21 ZINC000404843263 411409613 /nfs/dbraw/zinc/40/96/13/411409613.db2.gz CMIALSDOLWRBFL-ZDUSSCGKSA-N 2 1 248.370 1.624 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000653593573 411426681 /nfs/dbraw/zinc/42/66/81/411426681.db2.gz GAKVCCUTEQSPCU-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000415094383 411491459 /nfs/dbraw/zinc/49/14/59/411491459.db2.gz WZLFDSBYLWQGRZ-UHFFFAOYSA-N 2 1 226.295 1.145 20 0 BDADMP C[N@@H+](CCNC[C@@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000415089251 411491784 /nfs/dbraw/zinc/49/17/84/411491784.db2.gz YQLOLAAVHZSTAC-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCOC1)C2 ZINC000309474481 411497166 /nfs/dbraw/zinc/49/71/66/411497166.db2.gz UZVPBOPDRGVRCP-AVGNSLFASA-N 2 1 224.348 1.084 20 0 BDADMP Cn1cnc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000660013775 411528670 /nfs/dbraw/zinc/52/86/70/411528670.db2.gz YSSQJEPCTDAJIB-GXTWGEPZSA-N 2 1 248.374 1.336 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CO1 ZINC000657491139 411532068 /nfs/dbraw/zinc/53/20/68/411532068.db2.gz CGUIKWMHSPFDJX-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CO[C@@H](CC)C2)C1 ZINC000657327165 411466307 /nfs/dbraw/zinc/46/63/07/411466307.db2.gz ZCOLYUNJPWJDSC-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOC)C[C@@H]1C ZINC000336684808 170010693 /nfs/dbraw/zinc/01/06/93/170010693.db2.gz UXGVMTUQIPDPDF-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOC)C[C@@H]1C ZINC000336684808 170010694 /nfs/dbraw/zinc/01/06/94/170010694.db2.gz UXGVMTUQIPDPDF-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOC)C[C@@H]1C ZINC000336684808 170010696 /nfs/dbraw/zinc/01/06/96/170010696.db2.gz UXGVMTUQIPDPDF-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588212 170010756 /nfs/dbraw/zinc/01/07/56/170010756.db2.gz PHZLQACNPGKFEQ-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCC2)[C@H](C)C1 ZINC000336780567 170013137 /nfs/dbraw/zinc/01/31/37/170013137.db2.gz RRDFKSKEYDERBU-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@@H](NCc2c[nH]nc2C)[C@H](C)C1 ZINC000358168934 170013391 /nfs/dbraw/zinc/01/33/91/170013391.db2.gz OIIOLGDOIKBMCO-ZWNOBZJWSA-N 2 1 236.363 1.538 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2C)[C@H](C)C1 ZINC000358168934 170013392 /nfs/dbraw/zinc/01/33/92/170013392.db2.gz OIIOLGDOIKBMCO-ZWNOBZJWSA-N 2 1 236.363 1.538 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2C)[C@H](C)C1 ZINC000358168934 170013393 /nfs/dbraw/zinc/01/33/93/170013393.db2.gz OIIOLGDOIKBMCO-ZWNOBZJWSA-N 2 1 236.363 1.538 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000300921366 170016126 /nfs/dbraw/zinc/01/61/26/170016126.db2.gz DWMRCSBSGGDQPJ-NWDGAFQWSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000296026758 170016518 /nfs/dbraw/zinc/01/65/18/170016518.db2.gz PUMRYLSZAVXWIK-GHMZBOCLSA-N 2 1 222.336 1.402 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000356855248 170017427 /nfs/dbraw/zinc/01/74/27/170017427.db2.gz UZYCBNVVYWJZDO-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588211 170017478 /nfs/dbraw/zinc/01/74/78/170017478.db2.gz PHZLQACNPGKFEQ-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)C)[C@@H](C)C1 ZINC000336694032 170019566 /nfs/dbraw/zinc/01/95/66/170019566.db2.gz IFINDLJHJOKYPX-IHRRRGAJSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)C(C)C)[C@@H](C)C1 ZINC000336694032 170019567 /nfs/dbraw/zinc/01/95/67/170019567.db2.gz IFINDLJHJOKYPX-IHRRRGAJSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)C(C)C)[C@@H](C)C1 ZINC000336694032 170019568 /nfs/dbraw/zinc/01/95/68/170019568.db2.gz IFINDLJHJOKYPX-IHRRRGAJSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)[C@@H](C)C1 ZINC000268989004 170021093 /nfs/dbraw/zinc/02/10/93/170021093.db2.gz FSDOJYBFMIGVKM-ZFWWWQNUSA-N 2 1 247.386 1.944 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CCO)[C@H](C)C1 ZINC000121936952 170021562 /nfs/dbraw/zinc/02/15/62/170021562.db2.gz IVHRTAKALYNPJQ-XQQFMLRXSA-N 2 1 228.380 1.325 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+](C)C(C)C)C1 ZINC000353568070 170040097 /nfs/dbraw/zinc/04/00/97/170040097.db2.gz OTNJAMHLSINZLD-BFHYXJOUSA-N 2 1 241.423 1.645 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)C[N@H+](C)C(C)C)C1 ZINC000353568070 170040098 /nfs/dbraw/zinc/04/00/98/170040098.db2.gz OTNJAMHLSINZLD-BFHYXJOUSA-N 2 1 241.423 1.645 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000353568070 170040099 /nfs/dbraw/zinc/04/00/99/170040099.db2.gz OTNJAMHLSINZLD-BFHYXJOUSA-N 2 1 241.423 1.645 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048566 170200038 /nfs/dbraw/zinc/20/00/38/170200038.db2.gz LGYZXKGNQJGXRM-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657611179 411563397 /nfs/dbraw/zinc/56/33/97/411563397.db2.gz KSEZDVZKHZGETA-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309616863 170314165 /nfs/dbraw/zinc/31/41/65/170314165.db2.gz DBUYMRZLLLYVCS-NWDGAFQWSA-N 2 1 228.380 1.731 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000124777029 170329708 /nfs/dbraw/zinc/32/97/08/170329708.db2.gz KSEZDVZKHZGETA-NELGMTEASA-N 2 1 238.375 1.770 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367640319 170382492 /nfs/dbraw/zinc/38/24/92/170382492.db2.gz ZSRWTYOQHLDPHD-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000126718382 170388123 /nfs/dbraw/zinc/38/81/23/170388123.db2.gz DTENRBXFJOFKFT-NSHDSACASA-N 2 1 202.342 1.328 20 0 BDADMP CCOCC[N@@H+](CC)CCC1CC[NH2+]CC1 ZINC000082537326 170394568 /nfs/dbraw/zinc/39/45/68/170394568.db2.gz ZJGSNYRGONFZNW-UHFFFAOYSA-N 2 1 228.380 1.735 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657875220 411615020 /nfs/dbraw/zinc/61/50/20/411615020.db2.gz BSXGDUJZVXAMHD-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H](CO)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665950 411615988 /nfs/dbraw/zinc/61/59/88/411615988.db2.gz ZZLZRAKPOPAFMK-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@H](CO)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665950 411615989 /nfs/dbraw/zinc/61/59/89/411615989.db2.gz ZZLZRAKPOPAFMK-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@H](CO)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665950 411615991 /nfs/dbraw/zinc/61/59/91/411615991.db2.gz ZZLZRAKPOPAFMK-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000663502504 411686452 /nfs/dbraw/zinc/68/64/52/411686452.db2.gz IAMVQTFLRJEYOL-QJPTWQEYSA-N 3 1 213.369 1.219 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CC2=CCSC2)CC[NH2+]1 ZINC000663506237 411687903 /nfs/dbraw/zinc/68/79/03/411687903.db2.gz KPLVPXJUJLOLJM-NWDGAFQWSA-N 2 1 240.416 1.980 20 0 BDADMP Cc1cc(CO)cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)n1 ZINC000663972792 411797053 /nfs/dbraw/zinc/79/70/53/411797053.db2.gz KAAYPZRUJKOHQC-OLZOCXBDSA-N 2 1 247.342 1.023 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664244091 411895937 /nfs/dbraw/zinc/89/59/37/411895937.db2.gz VTZKYEHTAJYPKR-OLZOCXBDSA-N 2 1 249.358 1.333 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664244091 411895943 /nfs/dbraw/zinc/89/59/43/411895943.db2.gz VTZKYEHTAJYPKR-OLZOCXBDSA-N 2 1 249.358 1.333 20 0 BDADMP C[C@@H](CCNc1cc[nH+]c(N(C)C)n1)[NH+](C)C ZINC000664244167 411896696 /nfs/dbraw/zinc/89/66/96/411896696.db2.gz PMDVGKXYPZKCPL-JTQLQIEISA-N 2 1 237.351 1.295 20 0 BDADMP C[C@@H]1CC[N@@H+](CCc2cncn2C)C[C@H](C)O1 ZINC000661853271 411902361 /nfs/dbraw/zinc/90/23/61/411902361.db2.gz QVNYDHLBIFAFHY-NEPJUHHUSA-N 2 1 237.347 1.462 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970352 411927351 /nfs/dbraw/zinc/92/73/51/411927351.db2.gz LAJMPATUKMMTQZ-CHWSQXEVSA-N 2 1 219.332 1.923 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970352 411927354 /nfs/dbraw/zinc/92/73/54/411927354.db2.gz LAJMPATUKMMTQZ-CHWSQXEVSA-N 2 1 219.332 1.923 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662267395 412059482 /nfs/dbraw/zinc/05/94/82/412059482.db2.gz VCWJCAYWXJFPSF-PWSUYJOCSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662267395 412059486 /nfs/dbraw/zinc/05/94/86/412059486.db2.gz VCWJCAYWXJFPSF-PWSUYJOCSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662267393 412059496 /nfs/dbraw/zinc/05/94/96/412059496.db2.gz VCWJCAYWXJFPSF-CMPLNLGQSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662267393 412059500 /nfs/dbraw/zinc/05/95/00/412059500.db2.gz VCWJCAYWXJFPSF-CMPLNLGQSA-N 2 1 234.347 1.263 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662244746 412042196 /nfs/dbraw/zinc/04/21/96/412042196.db2.gz GUIQXOYGYBZUSM-LBPRGKRZSA-N 3 1 245.370 1.113 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662247486 412044815 /nfs/dbraw/zinc/04/48/15/412044815.db2.gz ZZOLLEZTBAKFSZ-WCQYABFASA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662247486 412044818 /nfs/dbraw/zinc/04/48/18/412044818.db2.gz ZZOLLEZTBAKFSZ-WCQYABFASA-N 2 1 248.374 1.653 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662249627 412045833 /nfs/dbraw/zinc/04/58/33/412045833.db2.gz QQRSDXLLEWVGCF-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248632 412047653 /nfs/dbraw/zinc/04/76/53/412047653.db2.gz IGPWQKUZEFPENI-LLVKDONJSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252203 412049028 /nfs/dbraw/zinc/04/90/28/412049028.db2.gz MEJSNLKBUQWVDL-CYBMUJFWSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCO[C@@H]1CC1(F)F ZINC000662264323 412053559 /nfs/dbraw/zinc/05/35/59/412053559.db2.gz ILDVDOVSIWGQNW-KXUCPTDWSA-N 2 1 234.290 1.080 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000222154957 171086141 /nfs/dbraw/zinc/08/61/41/171086141.db2.gz MEDJTOAWBDPJKE-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)co1 ZINC000662274294 412064638 /nfs/dbraw/zinc/06/46/38/412064638.db2.gz ULMZQCBPFBSQQD-ZDUSSCGKSA-N 2 1 249.358 1.805 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280830 412071486 /nfs/dbraw/zinc/07/14/86/412071486.db2.gz GECCOVXTEAQBCX-FPMFFAJLSA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@@]1(C)COCCN1CC[C@H]1CCC[N@H+]1C ZINC000336717599 171203910 /nfs/dbraw/zinc/20/39/10/171203910.db2.gz WLUQYNYTNDAWJK-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662282242 412071906 /nfs/dbraw/zinc/07/19/06/412071906.db2.gz OAWPCGJAIZOSFB-YNEHKIRRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000662282752 412073290 /nfs/dbraw/zinc/07/32/90/412073290.db2.gz QJKQRUWKKLYZLP-GMTAPVOTSA-N 2 1 248.317 1.327 20 0 BDADMP CC[C@H](C)C[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336677494 171278395 /nfs/dbraw/zinc/27/83/95/171278395.db2.gz CPGJTQOGEQTYTA-GXTWGEPZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336677494 171278396 /nfs/dbraw/zinc/27/83/96/171278396.db2.gz CPGJTQOGEQTYTA-GXTWGEPZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H](C)C[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336677494 171278397 /nfs/dbraw/zinc/27/83/97/171278397.db2.gz CPGJTQOGEQTYTA-GXTWGEPZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H](C)C[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336677494 171278398 /nfs/dbraw/zinc/27/83/98/171278398.db2.gz CPGJTQOGEQTYTA-GXTWGEPZSA-N 2 1 242.407 1.810 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCCO1)CC(C)(C)[NH3+] ZINC000662296167 412083396 /nfs/dbraw/zinc/08/33/96/412083396.db2.gz XDRKKOHQDIEDAL-NSHDSACASA-N 2 1 214.353 1.615 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC[C@H]1CCOC1 ZINC000336739966 171306118 /nfs/dbraw/zinc/30/61/18/171306118.db2.gz POSMSFPXVFUGDC-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC[C@H]1CCOC1 ZINC000336739966 171306119 /nfs/dbraw/zinc/30/61/19/171306119.db2.gz POSMSFPXVFUGDC-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000226396665 171306303 /nfs/dbraw/zinc/30/63/03/171306303.db2.gz OYQRCCYSGFBSEF-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662287128 412080465 /nfs/dbraw/zinc/08/04/65/412080465.db2.gz WHMWFLTZSVWXMM-SNVBAGLBSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H](N)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294691 412081912 /nfs/dbraw/zinc/08/19/12/412081912.db2.gz RVWOFMLASURNBT-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294691 412081916 /nfs/dbraw/zinc/08/19/16/412081916.db2.gz RVWOFMLASURNBT-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000662303110 412087049 /nfs/dbraw/zinc/08/70/49/412087049.db2.gz SPXMLBWJDPVAKO-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662303315 412088647 /nfs/dbraw/zinc/08/86/47/412088647.db2.gz VXSWZRCFZRJPRO-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP CO[C@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C1CCCC1 ZINC000662306230 412091737 /nfs/dbraw/zinc/09/17/37/412091737.db2.gz PHRBNRAYFAWUJI-HRDQMINSSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CC2CC1(C[NH3+])C2)C1CCCC1 ZINC000662306230 412091742 /nfs/dbraw/zinc/09/17/42/412091742.db2.gz PHRBNRAYFAWUJI-HRDQMINSSA-N 2 1 238.375 1.615 20 0 BDADMP c1cc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)no1 ZINC000662317493 412097987 /nfs/dbraw/zinc/09/79/87/412097987.db2.gz QEIQECBVAQOGOD-LLVKDONJSA-N 2 1 235.331 1.464 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCOCC[NH3+] ZINC000662319672 412100149 /nfs/dbraw/zinc/10/01/49/412100149.db2.gz PRBZUSZZIDXUBR-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322732 412100214 /nfs/dbraw/zinc/10/02/14/412100214.db2.gz NCBJJCIGEYAIQU-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CC1(C)C ZINC000662331681 412104546 /nfs/dbraw/zinc/10/45/46/412104546.db2.gz PVMPPOLGLKAPES-RYUDHWBXSA-N 2 1 210.365 1.964 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1=CCSC1 ZINC000662327078 412104658 /nfs/dbraw/zinc/10/46/58/412104658.db2.gz IGFYSUOQRBDRPX-NSHDSACASA-N 2 1 226.389 1.591 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662331617 412104913 /nfs/dbraw/zinc/10/49/13/412104913.db2.gz OIWXLXVEWLWTNK-RYUDHWBXSA-N 2 1 238.375 1.485 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000665249471 412195646 /nfs/dbraw/zinc/19/56/46/412195646.db2.gz RALGXADXZAWGDL-LLVKDONJSA-N 2 1 236.363 1.825 20 0 BDADMP C[C@H]([NH2+]CCc1ccoc1)[C@H]1CCC[NH2+]1 ZINC000665263808 412207855 /nfs/dbraw/zinc/20/78/55/412207855.db2.gz VDCVYVIIBOEEOE-CMPLNLGQSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000665265241 412208495 /nfs/dbraw/zinc/20/84/95/412208495.db2.gz SSCQLRWBAUCSFH-NDBYEHHHSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665267534 412211077 /nfs/dbraw/zinc/21/10/77/412211077.db2.gz YHCSJAFZUZNDNX-UTLUCORTSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232454 412170348 /nfs/dbraw/zinc/17/03/48/412170348.db2.gz NCNVUKMVSIXTQA-MBNYWOFBSA-N 2 1 233.359 1.915 20 0 BDADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000665274557 412216641 /nfs/dbraw/zinc/21/66/41/412216641.db2.gz SQRAGRKHJXSEBB-BFHYXJOUSA-N 2 1 216.328 1.884 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000665274609 412216956 /nfs/dbraw/zinc/21/69/56/412216956.db2.gz UKMZCXYTGMCUMS-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000665274380 412217602 /nfs/dbraw/zinc/21/76/02/412217602.db2.gz PAEQJILZUDEYCT-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000665276098 412219443 /nfs/dbraw/zinc/21/94/43/412219443.db2.gz YLLVSYYIUMVANU-BNOWGMLFSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000665280456 412224112 /nfs/dbraw/zinc/22/41/12/412224112.db2.gz BWJUHNHPQMLPLV-JHJVBQTASA-N 2 1 227.396 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000665280457 412225004 /nfs/dbraw/zinc/22/50/04/412225004.db2.gz BWJUHNHPQMLPLV-RWMBFGLXSA-N 2 1 227.396 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000665281166 412226846 /nfs/dbraw/zinc/22/68/46/412226846.db2.gz WJQAOYJUSJIAGU-SGMGOOAPSA-N 2 1 239.407 1.575 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000665281166 412226848 /nfs/dbraw/zinc/22/68/48/412226848.db2.gz WJQAOYJUSJIAGU-SGMGOOAPSA-N 2 1 239.407 1.575 20 0 BDADMP COc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1C ZINC000665294926 412241629 /nfs/dbraw/zinc/24/16/29/412241629.db2.gz YTDUYKJQNXOULG-OLZOCXBDSA-N 2 1 234.343 1.973 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000227073395 172166006 /nfs/dbraw/zinc/16/60/06/172166006.db2.gz QYKHWGGVZQNPKY-CMPLNLGQSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000227073395 172166009 /nfs/dbraw/zinc/16/60/09/172166009.db2.gz QYKHWGGVZQNPKY-CMPLNLGQSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000044500616 172195046 /nfs/dbraw/zinc/19/50/46/172195046.db2.gz BOPNHTQQCWPNCK-VXGBXAGGSA-N 2 1 238.379 1.894 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cn1 ZINC000268798979 172196010 /nfs/dbraw/zinc/19/60/10/172196010.db2.gz IRTKEIAJUJMXDJ-NSHDSACASA-N 2 1 247.346 1.759 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000044500614 172197595 /nfs/dbraw/zinc/19/75/95/172197595.db2.gz BOPNHTQQCWPNCK-RYUDHWBXSA-N 2 1 238.379 1.894 20 0 BDADMP CCn1nccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000160235175 172265727 /nfs/dbraw/zinc/26/57/27/172265727.db2.gz OGCLUBCJDARIRU-GFCCVEGCSA-N 2 1 236.363 1.464 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSCC1 ZINC000124945172 173029406 /nfs/dbraw/zinc/02/94/06/173029406.db2.gz GHVCSSKASMDPKK-LLVKDONJSA-N 2 1 214.378 1.520 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSCC1 ZINC000124945172 173029408 /nfs/dbraw/zinc/02/94/08/173029408.db2.gz GHVCSSKASMDPKK-LLVKDONJSA-N 2 1 214.378 1.520 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CO)CC1 ZINC000339750625 173027211 /nfs/dbraw/zinc/02/72/11/173027211.db2.gz OIRKECHBJWMBGP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339750625 173027214 /nfs/dbraw/zinc/02/72/14/173027214.db2.gz OIRKECHBJWMBGP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CO)CC1 ZINC000339750625 173027215 /nfs/dbraw/zinc/02/72/15/173027215.db2.gz OIRKECHBJWMBGP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](n2cccn2)C1 ZINC000361591000 173053883 /nfs/dbraw/zinc/05/38/83/173053883.db2.gz WZFICYAFDFFQHX-UONOGXRCSA-N 2 1 248.374 1.614 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591000 173053886 /nfs/dbraw/zinc/05/38/86/173053886.db2.gz WZFICYAFDFFQHX-UONOGXRCSA-N 2 1 248.374 1.614 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591000 173053888 /nfs/dbraw/zinc/05/38/88/173053888.db2.gz WZFICYAFDFFQHX-UONOGXRCSA-N 2 1 248.374 1.614 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCCF)[C@@H]2C1 ZINC000367143691 173131300 /nfs/dbraw/zinc/13/13/00/173131300.db2.gz LAJDKWIRFLESTJ-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCCF)[C@@H]2C1 ZINC000367143691 173131303 /nfs/dbraw/zinc/13/13/03/173131303.db2.gz LAJDKWIRFLESTJ-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCCF)[C@@H]2C1 ZINC000367143691 173131304 /nfs/dbraw/zinc/13/13/04/173131304.db2.gz LAJDKWIRFLESTJ-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCCF)[C@@H]2C1 ZINC000367143691 173131307 /nfs/dbraw/zinc/13/13/07/173131307.db2.gz LAJDKWIRFLESTJ-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOC3CCC3)C2)C1 ZINC000368637882 173139277 /nfs/dbraw/zinc/13/92/77/173139277.db2.gz ZHJSPKHFVWAFEI-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOC3CCC3)C2)C1 ZINC000368637882 173139281 /nfs/dbraw/zinc/13/92/81/173139281.db2.gz ZHJSPKHFVWAFEI-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOC3CCC3)C2)C1 ZINC000368637882 173139283 /nfs/dbraw/zinc/13/92/83/173139283.db2.gz ZHJSPKHFVWAFEI-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CC[C@H](CNC(N)=[NH2+])[C@@H]1c1cccs1 ZINC000361940763 173145362 /nfs/dbraw/zinc/14/53/62/173145362.db2.gz CFRBOCYRDOHLNZ-PSASIEDQSA-N 2 1 238.360 1.224 20 0 BDADMP C[N@H+]1CC[C@H](CNC(N)=[NH2+])[C@H]1c1cccs1 ZINC000361940764 173145651 /nfs/dbraw/zinc/14/56/51/173145651.db2.gz CFRBOCYRDOHLNZ-SCZZXKLOSA-N 2 1 238.360 1.224 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@H]2CCC[C@@H]21 ZINC000353609187 173152620 /nfs/dbraw/zinc/15/26/20/173152620.db2.gz BGZSDXQZMFMCRJ-RDBSUJKOSA-N 2 1 248.374 1.415 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@@H]2CCC[C@@H]21 ZINC000353391232 173153552 /nfs/dbraw/zinc/15/35/52/173153552.db2.gz BILIBESGWFOOQJ-IHRRRGAJSA-N 2 1 248.374 1.346 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000353401925 173155274 /nfs/dbraw/zinc/15/52/74/173155274.db2.gz IYQCVPNVWZMWSP-RDBSUJKOSA-N 2 1 248.374 1.383 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1cccc(COC)c1 ZINC000124764898 173345603 /nfs/dbraw/zinc/34/56/03/173345603.db2.gz DKDZGIMBCOEEDW-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(COC)c1 ZINC000124764898 173345604 /nfs/dbraw/zinc/34/56/04/173345604.db2.gz DKDZGIMBCOEEDW-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000336693361 173346998 /nfs/dbraw/zinc/34/69/98/173346998.db2.gz LBWPUMHKLNHECW-GFCCVEGCSA-N 2 1 214.353 1.343 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@H](C(C)C)C1 ZINC000308873847 173347471 /nfs/dbraw/zinc/34/74/71/173347471.db2.gz MASBQCMWIMWXME-NSHDSACASA-N 2 1 216.394 1.669 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000020876144 173349438 /nfs/dbraw/zinc/34/94/38/173349438.db2.gz AWGWRAQGFBDBGO-UHFFFAOYSA-N 2 1 236.315 1.157 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccc(OC)c(F)c1 ZINC000083354773 173350098 /nfs/dbraw/zinc/35/00/98/173350098.db2.gz RTBAMWIEIXJOQB-UHFFFAOYSA-N 2 1 226.295 1.533 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000091996052 173367610 /nfs/dbraw/zinc/36/76/10/173367610.db2.gz SZMVWKCQMGMXTF-LBPRGKRZSA-N 2 1 249.358 1.527 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000091996052 173367611 /nfs/dbraw/zinc/36/76/11/173367611.db2.gz SZMVWKCQMGMXTF-LBPRGKRZSA-N 2 1 249.358 1.527 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000053012412 173382228 /nfs/dbraw/zinc/38/22/28/173382228.db2.gz HVFLJWJXOSICMO-LLVKDONJSA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000053012412 173382229 /nfs/dbraw/zinc/38/22/29/173382229.db2.gz HVFLJWJXOSICMO-LLVKDONJSA-N 2 1 205.305 1.123 20 0 BDADMP COC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000037266513 174028456 /nfs/dbraw/zinc/02/84/56/174028456.db2.gz OSDYFZWXPXKYDE-LLVKDONJSA-N 2 1 214.353 1.471 20 0 BDADMP COCCCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000336748613 174178623 /nfs/dbraw/zinc/17/86/23/174178623.db2.gz SUMCVFDPNMFZJJ-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122629091 174184000 /nfs/dbraw/zinc/18/40/00/174184000.db2.gz HTXPEDPJUIYREN-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP COCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123215676 174220869 /nfs/dbraw/zinc/22/08/69/174220869.db2.gz ICGBLZSNXFKQFZ-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123215676 174220872 /nfs/dbraw/zinc/22/08/72/174220872.db2.gz ICGBLZSNXFKQFZ-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123215676 174220875 /nfs/dbraw/zinc/22/08/75/174220875.db2.gz ICGBLZSNXFKQFZ-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123215676 174220878 /nfs/dbraw/zinc/22/08/78/174220878.db2.gz ICGBLZSNXFKQFZ-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336706738 174233055 /nfs/dbraw/zinc/23/30/55/174233055.db2.gz OGWOTPVEKXUZQY-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP COCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599842 174234491 /nfs/dbraw/zinc/23/44/91/174234491.db2.gz GRXZOJHLEXZNLE-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599842 174234492 /nfs/dbraw/zinc/23/44/92/174234492.db2.gz GRXZOJHLEXZNLE-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599842 174234495 /nfs/dbraw/zinc/23/44/95/174234495.db2.gz GRXZOJHLEXZNLE-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309635785 174250400 /nfs/dbraw/zinc/25/04/00/174250400.db2.gz JKVPXHUFCBPUPH-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP COCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127768845 174250725 /nfs/dbraw/zinc/25/07/25/174250725.db2.gz BEFOBKPGNYDWAI-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP COCCC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268807266 174263141 /nfs/dbraw/zinc/26/31/41/174263141.db2.gz LBOUNCJASBIPLF-NSHDSACASA-N 2 1 225.336 1.596 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC12CCC2 ZINC000337391220 174275671 /nfs/dbraw/zinc/27/56/71/174275671.db2.gz LAZMKMKVXJQEAB-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC1(C)C ZINC000336776147 174275905 /nfs/dbraw/zinc/27/59/05/174275905.db2.gz DWUKPZDFFMLCOQ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP COCC[N@@H+](CCC1CC[NH2+]CC1)CC(C)C ZINC000042369459 174289455 /nfs/dbraw/zinc/28/94/55/174289455.db2.gz IIVQVHQFTNEEKM-UHFFFAOYSA-N 2 1 242.407 1.981 20 0 BDADMP COCC[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000336709758 174290616 /nfs/dbraw/zinc/29/06/16/174290616.db2.gz PWWCSHSMLLILMA-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP COCC[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000336709758 174290617 /nfs/dbraw/zinc/29/06/17/174290617.db2.gz PWWCSHSMLLILMA-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP COCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363257436 174318233 /nfs/dbraw/zinc/31/82/33/174318233.db2.gz XPIRAWZYDMBUGW-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363257436 174318235 /nfs/dbraw/zinc/31/82/35/174318235.db2.gz XPIRAWZYDMBUGW-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363257436 174318236 /nfs/dbraw/zinc/31/82/36/174318236.db2.gz XPIRAWZYDMBUGW-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP COCCOCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365381548 174353918 /nfs/dbraw/zinc/35/39/18/174353918.db2.gz UIQWVIWTCMRDFN-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCCOCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365381548 174353919 /nfs/dbraw/zinc/35/39/19/174353919.db2.gz UIQWVIWTCMRDFN-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534989 174378913 /nfs/dbraw/zinc/37/89/13/174378913.db2.gz KXQJBTXWDOJBHO-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP COc1cccc(CC[NH2+]C2CC[NH+](C)CC2)c1 ZINC000075189264 175252469 /nfs/dbraw/zinc/25/24/69/175252469.db2.gz FFVVSPOQQWQVFY-UHFFFAOYSA-N 2 1 248.370 1.922 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994662 175260384 /nfs/dbraw/zinc/26/03/84/175260384.db2.gz FOKRVXILERDVEL-HNNXBMFYSA-N 2 1 246.354 1.881 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994662 175260385 /nfs/dbraw/zinc/26/03/85/175260385.db2.gz FOKRVXILERDVEL-HNNXBMFYSA-N 2 1 246.354 1.881 20 0 BDADMP COc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573307 175261347 /nfs/dbraw/zinc/26/13/47/175261347.db2.gz FEUHXBNVWCGUCL-BETUJISGSA-N 2 1 232.327 1.346 20 0 BDADMP COc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573307 175261349 /nfs/dbraw/zinc/26/13/49/175261349.db2.gz FEUHXBNVWCGUCL-BETUJISGSA-N 2 1 232.327 1.346 20 0 BDADMP COc1cccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000193617897 175261451 /nfs/dbraw/zinc/26/14/51/175261451.db2.gz IRJBLXZZIDBSGM-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193617897 175261452 /nfs/dbraw/zinc/26/14/52/175261452.db2.gz IRJBLXZZIDBSGM-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193617897 175261455 /nfs/dbraw/zinc/26/14/55/175261455.db2.gz IRJBLXZZIDBSGM-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1ccccc1C[N@@H+](C)CCOCC[NH3+] ZINC000093232459 175324430 /nfs/dbraw/zinc/32/44/30/175324430.db2.gz KUYNZNRGEWPRBH-UHFFFAOYSA-N 2 1 238.331 1.102 20 0 BDADMP COc1ccccc1C[N@@H+](C)CCCC[NH3+] ZINC000042441502 175324903 /nfs/dbraw/zinc/32/49/03/175324903.db2.gz DBPBXRIQILWFMB-UHFFFAOYSA-N 2 1 222.332 1.866 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000126888063 175327234 /nfs/dbraw/zinc/32/72/34/175327234.db2.gz GEJBXUYNUIHZTO-NWDGAFQWSA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+](C)CCn1ccnc1 ZINC000162417235 176026618 /nfs/dbraw/zinc/02/66/18/176026618.db2.gz VHHIBYGCTDINCX-LBPRGKRZSA-N 2 1 230.315 1.971 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122358797 176028378 /nfs/dbraw/zinc/02/83/78/176028378.db2.gz PXIDIYDVKJNIQW-GRYCIOLGSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000035692146 176029901 /nfs/dbraw/zinc/02/99/01/176029901.db2.gz WRWVQBTZIYZCHS-WDEREUQCSA-N 2 1 205.305 1.423 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000035693507 176036184 /nfs/dbraw/zinc/03/61/84/176036184.db2.gz VHAOIEBUEBQWHF-WDEREUQCSA-N 2 1 205.305 1.423 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310480782 176088242 /nfs/dbraw/zinc/08/82/42/176088242.db2.gz CXSNBSLTVGMLNS-KWCYVHTRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310480782 176088243 /nfs/dbraw/zinc/08/82/43/176088243.db2.gz CXSNBSLTVGMLNS-KWCYVHTRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CCC[C@H](CO)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336709012 176139587 /nfs/dbraw/zinc/13/95/87/176139587.db2.gz PKLZOUKFYBAADW-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H](CO)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336709012 176139588 /nfs/dbraw/zinc/13/95/88/176139588.db2.gz PKLZOUKFYBAADW-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H](CO)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336709012 176139590 /nfs/dbraw/zinc/13/95/90/176139590.db2.gz PKLZOUKFYBAADW-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@@H]1C ZINC000358225212 176144109 /nfs/dbraw/zinc/14/41/09/176144109.db2.gz CEAHRXIRRNKBPX-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@@H]1C ZINC000358225212 176144111 /nfs/dbraw/zinc/14/41/11/176144111.db2.gz CEAHRXIRRNKBPX-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000221708586 176173001 /nfs/dbraw/zinc/17/30/01/176173001.db2.gz LIIJGHWEHZTNSE-AGIUHOORSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000128251243 176206557 /nfs/dbraw/zinc/20/65/57/176206557.db2.gz SDARTLFPCGKWOM-RISCZKNCSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000309826639 176268448 /nfs/dbraw/zinc/26/84/48/176268448.db2.gz XKRVXRIKZLJJHS-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000359364970 176268574 /nfs/dbraw/zinc/26/85/74/176268574.db2.gz PFZHDVRYURFJLX-CHWSQXEVSA-N 2 1 241.423 1.504 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000359364970 176268575 /nfs/dbraw/zinc/26/85/75/176268575.db2.gz PFZHDVRYURFJLX-CHWSQXEVSA-N 3 1 241.423 1.504 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000359364970 176268576 /nfs/dbraw/zinc/26/85/76/176268576.db2.gz PFZHDVRYURFJLX-CHWSQXEVSA-N 3 1 241.423 1.504 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000336764575 176268745 /nfs/dbraw/zinc/26/87/45/176268745.db2.gz QGURPXQHXTYCLJ-OUAUKWLOSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000336764575 176268747 /nfs/dbraw/zinc/26/87/47/176268747.db2.gz QGURPXQHXTYCLJ-OUAUKWLOSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000359658688 176271024 /nfs/dbraw/zinc/27/10/24/176271024.db2.gz FBJAMFOJVQVQHN-CHWSQXEVSA-N 2 1 236.363 1.203 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000309826644 176271162 /nfs/dbraw/zinc/27/11/62/176271162.db2.gz XKRVXRIKZLJJHS-VXGBXAGGSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1CCCC1 ZINC000036908131 176278957 /nfs/dbraw/zinc/27/89/57/176278957.db2.gz ZNSVSRMSNJOANO-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCCC1 ZINC000036908131 176278958 /nfs/dbraw/zinc/27/89/58/176278958.db2.gz ZNSVSRMSNJOANO-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCCC1 ZINC000036908131 176278960 /nfs/dbraw/zinc/27/89/60/176278960.db2.gz ZNSVSRMSNJOANO-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000111155337 176279392 /nfs/dbraw/zinc/27/93/92/176279392.db2.gz YVAVALSXUFZZIM-YRGRVCCFSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)[NH+]1C ZINC000336895412 176293031 /nfs/dbraw/zinc/29/30/31/176293031.db2.gz YTMXSEOBRQHTEK-MCIONIFRSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000351796733 176294272 /nfs/dbraw/zinc/29/42/72/176294272.db2.gz XTCZTOKQNDFKMQ-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000351796733 176294273 /nfs/dbraw/zinc/29/42/73/176294273.db2.gz XTCZTOKQNDFKMQ-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000351796733 176294274 /nfs/dbraw/zinc/29/42/74/176294274.db2.gz XTCZTOKQNDFKMQ-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1CO ZINC000362090246 176294904 /nfs/dbraw/zinc/29/49/04/176294904.db2.gz MKNWXNBSLNWIGJ-JHJVBQTASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1CO ZINC000362090246 176294905 /nfs/dbraw/zinc/29/49/05/176294905.db2.gz MKNWXNBSLNWIGJ-JHJVBQTASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1CO ZINC000362090246 176294907 /nfs/dbraw/zinc/29/49/07/176294907.db2.gz MKNWXNBSLNWIGJ-JHJVBQTASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[NH2+]C(C)(C)C ZINC000251600833 176323100 /nfs/dbraw/zinc/32/31/00/176323100.db2.gz DCJDWBJJPLJOTI-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251605527 176336067 /nfs/dbraw/zinc/33/60/67/176336067.db2.gz DGLNBRMGYRDOSQ-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000336773822 176355147 /nfs/dbraw/zinc/35/51/47/176355147.db2.gz ZFRSRHNHIQRAAK-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCc2ccncc2)CC[NH2+]1 ZINC000235379266 176367911 /nfs/dbraw/zinc/36/79/11/176367911.db2.gz HANPSVVASNAOPF-HIFRSBDPSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCCF ZINC000308506262 176367938 /nfs/dbraw/zinc/36/79/38/176367938.db2.gz YZNINTOJZAPXET-MNOVXSKESA-N 2 1 202.317 1.795 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000352608454 176368952 /nfs/dbraw/zinc/36/89/52/176368952.db2.gz LGRVGXLCCYXJOZ-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C)COC2)CCN1C ZINC000336694961 176371149 /nfs/dbraw/zinc/37/11/49/176371149.db2.gz FLJZKTZBSCMZAK-NEPJUHHUSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC2(C)COC2)CC[N@@H+]1C ZINC000336694961 176371151 /nfs/dbraw/zinc/37/11/51/176371151.db2.gz FLJZKTZBSCMZAK-NEPJUHHUSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC2(C)COC2)CC[N@H+]1C ZINC000336694961 176371153 /nfs/dbraw/zinc/37/11/53/176371153.db2.gz FLJZKTZBSCMZAK-NEPJUHHUSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC2(C)COC2)CC[NH+]1C ZINC000336694961 176371155 /nfs/dbraw/zinc/37/11/55/176371155.db2.gz FLJZKTZBSCMZAK-NEPJUHHUSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C)COC2)CC[NH+]1C ZINC000336694961 176371156 /nfs/dbraw/zinc/37/11/56/176371156.db2.gz FLJZKTZBSCMZAK-NEPJUHHUSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC[N@H+]1C ZINC000336744209 176374594 /nfs/dbraw/zinc/37/45/94/176374594.db2.gz PWHDNNYLCZOWDE-NEPJUHHUSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C2CC2)CC[N@H+]1C ZINC000309792757 176376434 /nfs/dbraw/zinc/37/64/34/176376434.db2.gz UTHBUSOUNKPSOE-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000353143943 176377285 /nfs/dbraw/zinc/37/72/85/176377285.db2.gz BHWAHSKOCOOBJP-YPMHNXCESA-N 2 1 249.358 1.805 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1nccc2ccccc21 ZINC000228395660 487634278 /nfs/dbraw/zinc/63/42/78/487634278.db2.gz OWLLWLAXLOGPBF-UHFFFAOYSA-N 2 1 229.327 1.934 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310120999 177116651 /nfs/dbraw/zinc/11/66/51/177116651.db2.gz VAQUBKVVELAWMZ-SCRDCRAPSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310120999 177116652 /nfs/dbraw/zinc/11/66/52/177116652.db2.gz VAQUBKVVELAWMZ-SCRDCRAPSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310120999 177116653 /nfs/dbraw/zinc/11/66/53/177116653.db2.gz VAQUBKVVELAWMZ-SCRDCRAPSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310120999 177116654 /nfs/dbraw/zinc/11/66/54/177116654.db2.gz VAQUBKVVELAWMZ-SCRDCRAPSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336693687 177182965 /nfs/dbraw/zinc/18/29/65/177182965.db2.gz HZHNBXCIFLHXOL-DYEKYZERSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336693687 177182967 /nfs/dbraw/zinc/18/29/67/177182967.db2.gz HZHNBXCIFLHXOL-DYEKYZERSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336693687 177182969 /nfs/dbraw/zinc/18/29/69/177182969.db2.gz HZHNBXCIFLHXOL-DYEKYZERSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336693687 177182971 /nfs/dbraw/zinc/18/29/71/177182971.db2.gz HZHNBXCIFLHXOL-DYEKYZERSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000128251510 177190318 /nfs/dbraw/zinc/19/03/18/177190318.db2.gz SDARTLFPCGKWOM-FZMZJTMJSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000336700030 177241576 /nfs/dbraw/zinc/24/15/76/177241576.db2.gz NFVYCKYHUCOVHA-DMDPSCGWSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336700030 177241578 /nfs/dbraw/zinc/24/15/78/177241578.db2.gz NFVYCKYHUCOVHA-DMDPSCGWSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC000335758841 177245944 /nfs/dbraw/zinc/24/59/44/177245944.db2.gz HNWDHYRSLKMZGZ-TXEJJXNPSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000335758841 177245947 /nfs/dbraw/zinc/24/59/47/177245947.db2.gz HNWDHYRSLKMZGZ-TXEJJXNPSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@H+](CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000063100421 177247113 /nfs/dbraw/zinc/24/71/13/177247113.db2.gz JMKAUDXXLNLCGM-YUMQZZPRSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@H]1C[N@@H+](CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000063100421 177247114 /nfs/dbraw/zinc/24/71/14/177247114.db2.gz JMKAUDXXLNLCGM-YUMQZZPRSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCn2cccn2)CC[N@@H+]1C ZINC000123781548 177326439 /nfs/dbraw/zinc/32/64/39/177326439.db2.gz HBFRMQDVQNUJKW-STQMWFEESA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCn2cccn2)CC[N@H+]1C ZINC000123781548 177326440 /nfs/dbraw/zinc/32/64/40/177326440.db2.gz HBFRMQDVQNUJKW-STQMWFEESA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCn2cccn2)CC[NH+]1C ZINC000123781548 177326441 /nfs/dbraw/zinc/32/64/41/177326441.db2.gz HBFRMQDVQNUJKW-STQMWFEESA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCn2cccn2)CC[NH+]1C ZINC000123781548 177326442 /nfs/dbraw/zinc/32/64/42/177326442.db2.gz HBFRMQDVQNUJKW-STQMWFEESA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccncc1 ZINC000049712476 177327702 /nfs/dbraw/zinc/32/77/02/177327702.db2.gz AWBURCZOPHUUGQ-JQWIXIFHSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccncc1 ZINC000049712476 177327705 /nfs/dbraw/zinc/32/77/05/177327705.db2.gz AWBURCZOPHUUGQ-JQWIXIFHSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccncc1 ZINC000048261851 177332741 /nfs/dbraw/zinc/33/27/41/177332741.db2.gz VNXMALUFBDMGFM-VNHYZAJKSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359220988 177361939 /nfs/dbraw/zinc/36/19/39/177361939.db2.gz OEVUBBWCCYRVKM-WCQYABFASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCC(C)(C)O)CC[N@@H+]1C ZINC000360457907 177364817 /nfs/dbraw/zinc/36/48/17/177364817.db2.gz XBWAEBHZXPLFRA-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCC(C)(C)O)CC[N@H+]1C ZINC000360457907 177364818 /nfs/dbraw/zinc/36/48/18/177364818.db2.gz XBWAEBHZXPLFRA-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCC(C)(C)O)CC[NH+]1C ZINC000360457907 177364820 /nfs/dbraw/zinc/36/48/20/177364820.db2.gz XBWAEBHZXPLFRA-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCC(C)(C)O)CC[NH+]1C ZINC000360457907 177364822 /nfs/dbraw/zinc/36/48/22/177364822.db2.gz XBWAEBHZXPLFRA-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[N@H+]1C ZINC000222242926 177368718 /nfs/dbraw/zinc/36/87/18/177368718.db2.gz MBPKNPFCLNISKO-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1N(CC[C@@H]2CCC[N@H+]2C)CCOC1(C)C ZINC000336552015 177392117 /nfs/dbraw/zinc/39/21/17/177392117.db2.gz DHNUPDWSHSBJEI-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000400500552 226345041 /nfs/dbraw/zinc/34/50/41/226345041.db2.gz FVTLSHNTHOKAJQ-IRCOFANPSA-N 2 1 212.337 1.020 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473214 487655210 /nfs/dbraw/zinc/65/52/10/487655210.db2.gz WHVLSIFCVYFHJM-WUHRBBMRSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H]1C[N@@H+](CCCc2cncn2C)CC[C@@H]1[NH3+] ZINC000314012295 487656792 /nfs/dbraw/zinc/65/67/92/487656792.db2.gz NVYKCWYPSUMGSX-AAEUAGOBSA-N 2 1 236.363 1.022 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335832501 487667696 /nfs/dbraw/zinc/66/76/96/487667696.db2.gz CRMNAGBCQDUXIO-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000383730592 487669038 /nfs/dbraw/zinc/66/90/38/487669038.db2.gz GXJQXRSTCRLFRZ-KGLIPLIRSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000383730592 487669043 /nfs/dbraw/zinc/66/90/43/487669043.db2.gz GXJQXRSTCRLFRZ-KGLIPLIRSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000383730592 487669046 /nfs/dbraw/zinc/66/90/46/487669046.db2.gz GXJQXRSTCRLFRZ-KGLIPLIRSA-N 2 1 242.407 1.808 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC000082594395 487687136 /nfs/dbraw/zinc/68/71/36/487687136.db2.gz CODWDSUDFZCFFS-STQMWFEESA-N 2 1 226.364 1.759 20 0 BDADMP Cc1cncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228622836 487696488 /nfs/dbraw/zinc/69/64/88/487696488.db2.gz YHTRSBVMKSCJRN-RRFJBIMHSA-N 2 1 245.370 1.949 20 0 BDADMP FCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000088026319 487699580 /nfs/dbraw/zinc/69/95/80/487699580.db2.gz SOPUWIHJXOQWAU-NWDGAFQWSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@@H](CCCCO)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000398632758 487723035 /nfs/dbraw/zinc/72/30/35/487723035.db2.gz SGXUWDPANBEWFH-WCQYABFASA-N 2 1 228.380 1.645 20 0 BDADMP c1cnn(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250161179 487727054 /nfs/dbraw/zinc/72/70/54/487727054.db2.gz HQBDXROEGDIWGG-ZIAGYGMSSA-N 2 1 248.374 1.347 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407111 584878930 /nfs/dbraw/zinc/87/89/30/584878930.db2.gz NJGQMKMVVWFLDN-RYUDHWBXSA-N 2 1 213.369 1.031 20 0 BDADMP C[C@@H](CNC(=O)CCC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000226399048 487734090 /nfs/dbraw/zinc/73/40/90/487734090.db2.gz JMYKYLXMUVLOEL-JTQLQIEISA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](CNC(=O)CCC(C)(C)[NH3+])[N@@H+](C)C1CC1 ZINC000226399055 487734832 /nfs/dbraw/zinc/73/48/32/487734832.db2.gz JMYKYLXMUVLOEL-SNVBAGLBSA-N 2 1 241.379 1.103 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250654742 487737923 /nfs/dbraw/zinc/73/79/23/487737923.db2.gz NLZAXWDGLWIDGP-RFGFWPKPSA-N 2 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250654742 487737929 /nfs/dbraw/zinc/73/79/29/487737929.db2.gz NLZAXWDGLWIDGP-RFGFWPKPSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250654742 487737934 /nfs/dbraw/zinc/73/79/34/487737934.db2.gz NLZAXWDGLWIDGP-RFGFWPKPSA-N 3 1 237.391 1.473 20 0 BDADMP CCO[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000042425549 487744212 /nfs/dbraw/zinc/74/42/12/487744212.db2.gz OBRHDRDNZWZBNG-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000042425549 487744217 /nfs/dbraw/zinc/74/42/17/487744217.db2.gz OBRHDRDNZWZBNG-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000226436246 487745505 /nfs/dbraw/zinc/74/55/05/487745505.db2.gz QWJFMBDKMPTJQX-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP CCc1cc(N[C@@H]2CC[NH2+][C@H](C)C2)nc(C)[nH+]1 ZINC000234172368 487768242 /nfs/dbraw/zinc/76/82/42/487768242.db2.gz IHXDRDGMHPCJCK-BXKDBHETSA-N 2 1 234.347 1.900 20 0 BDADMP CCc1cc(N[C@H]2CC[NH2+][C@@H](C)C2)nc(C)[nH+]1 ZINC000234173339 487768310 /nfs/dbraw/zinc/76/83/10/487768310.db2.gz IHXDRDGMHPCJCK-CABZTGNLSA-N 2 1 234.347 1.900 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cccnc1 ZINC000049712941 487777277 /nfs/dbraw/zinc/77/72/77/487777277.db2.gz UJLRIBFFXZPVDK-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cnn(CC)c2)CC[C@H]1[NH3+] ZINC000251646073 487780856 /nfs/dbraw/zinc/78/08/56/487780856.db2.gz GFUZPTHNLHNGFZ-QWHCGFSZSA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cnn(CC)c2)CC[C@H]1[NH3+] ZINC000251646073 487780861 /nfs/dbraw/zinc/78/08/61/487780861.db2.gz GFUZPTHNLHNGFZ-QWHCGFSZSA-N 2 1 236.363 1.462 20 0 BDADMP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000668458691 487782403 /nfs/dbraw/zinc/78/24/03/487782403.db2.gz HKJBVBYQUSHCKU-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000668458691 487782408 /nfs/dbraw/zinc/78/24/08/487782408.db2.gz HKJBVBYQUSHCKU-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000251794174 487797962 /nfs/dbraw/zinc/79/79/62/487797962.db2.gz NSTXOXLRPYUPIW-TZMCWYRMSA-N 2 1 234.343 1.951 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302633 487799971 /nfs/dbraw/zinc/79/99/71/487799971.db2.gz PNFIHLNQHSXBOC-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335832500 487807479 /nfs/dbraw/zinc/80/74/79/487807479.db2.gz CRMNAGBCQDUXIO-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251922670 487807930 /nfs/dbraw/zinc/80/79/30/487807930.db2.gz YPIQQQOWGFMRJP-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000251936059 487808521 /nfs/dbraw/zinc/80/85/21/487808521.db2.gz ZTEIRMYOCNCAHD-CHWSQXEVSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000251936059 487808523 /nfs/dbraw/zinc/80/85/23/487808523.db2.gz ZTEIRMYOCNCAHD-CHWSQXEVSA-N 2 1 219.332 1.641 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)CCC[NH3+] ZINC000843351426 588102467 /nfs/dbraw/zinc/10/24/67/588102467.db2.gz UBAXXJXWCLEZEU-UHFFFAOYSA-N 2 1 216.325 1.000 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)CC ZINC000849005559 588432731 /nfs/dbraw/zinc/43/27/31/588432731.db2.gz JNDVZDFGKZSOGU-NSHDSACASA-N 2 1 228.384 1.631 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CCO)C2)CC[NH2+]1 ZINC000666638441 487849582 /nfs/dbraw/zinc/84/95/82/487849582.db2.gz OGUIOMYELKHVQV-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CCO)C2)CC[NH2+]1 ZINC000666638440 487850094 /nfs/dbraw/zinc/85/00/94/487850094.db2.gz OGUIOMYELKHVQV-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP CO[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000234833814 487883200 /nfs/dbraw/zinc/88/32/00/487883200.db2.gz BNISHDPIAWRENN-AWEZNQCLSA-N 2 1 246.354 1.553 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403809738 487891394 /nfs/dbraw/zinc/89/13/94/487891394.db2.gz KJHULAXKYXSEMQ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](CC)CO1 ZINC000403806399 487891432 /nfs/dbraw/zinc/89/14/32/487891432.db2.gz LPHYOLWQBDUJBV-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403809736 487891933 /nfs/dbraw/zinc/89/19/33/487891933.db2.gz KJHULAXKYXSEMQ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955344 487916995 /nfs/dbraw/zinc/91/69/95/487916995.db2.gz ATPBXLZAWSASMQ-NEPJUHHUSA-N 2 1 225.380 1.092 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652335371 487923557 /nfs/dbraw/zinc/92/35/57/487923557.db2.gz CHCRBHOANSIDNQ-ZDUSSCGKSA-N 3 1 245.370 1.113 20 0 BDADMP [NH3+]C[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652335371 487923560 /nfs/dbraw/zinc/92/35/60/487923560.db2.gz CHCRBHOANSIDNQ-ZDUSSCGKSA-N 2 1 245.370 1.113 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404977942 487938393 /nfs/dbraw/zinc/93/83/93/487938393.db2.gz BSLRZFBBDWKIFJ-RYUDHWBXSA-N 2 1 218.344 1.995 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000682405022 487947720 /nfs/dbraw/zinc/94/77/20/487947720.db2.gz PPYCPCXVDQOEIN-CYBMUJFWSA-N 2 1 234.343 1.776 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000682405022 487947723 /nfs/dbraw/zinc/94/77/23/487947723.db2.gz PPYCPCXVDQOEIN-CYBMUJFWSA-N 2 1 234.343 1.776 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000562956372 323034793 /nfs/dbraw/zinc/03/47/93/323034793.db2.gz QJUGGMPTYPMHAM-QWHCGFSZSA-N 3 1 227.396 1.482 20 0 BDADMP CC[NH2+]CCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000562956237 323034926 /nfs/dbraw/zinc/03/49/26/323034926.db2.gz KRWXDGVYENDZEO-FRRDWIJNSA-N 2 1 227.396 1.304 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000562956237 323034927 /nfs/dbraw/zinc/03/49/27/323034927.db2.gz KRWXDGVYENDZEO-FRRDWIJNSA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000569918900 323044345 /nfs/dbraw/zinc/04/43/45/323044345.db2.gz VOSIGWKREYTUMV-HZSPNIEDSA-N 2 1 241.423 1.693 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000569918900 323044346 /nfs/dbraw/zinc/04/43/46/323044346.db2.gz VOSIGWKREYTUMV-HZSPNIEDSA-N 3 1 241.423 1.693 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000569918900 323044347 /nfs/dbraw/zinc/04/43/47/323044347.db2.gz VOSIGWKREYTUMV-HZSPNIEDSA-N 3 1 241.423 1.693 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1CC(C)(C)[C@H]1C1CC1 ZINC000570060696 323049060 /nfs/dbraw/zinc/04/90/60/323049060.db2.gz OHIXZIUWJZLTHL-QWHCGFSZSA-N 2 1 240.391 1.419 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000570092904 323049983 /nfs/dbraw/zinc/04/99/83/323049983.db2.gz AVNRUJDLJLZNEM-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570444957 323059650 /nfs/dbraw/zinc/05/96/50/323059650.db2.gz PYAMAIUSWRQZCG-YUTCNCBUSA-N 2 1 240.391 1.323 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570444957 323059651 /nfs/dbraw/zinc/05/96/51/323059651.db2.gz PYAMAIUSWRQZCG-YUTCNCBUSA-N 2 1 240.391 1.323 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000397255249 323080770 /nfs/dbraw/zinc/08/07/70/323080770.db2.gz FHCXIHCDJQKQFF-IJLUTSLNSA-N 2 1 236.363 1.225 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnn2C)C[C@H]1C[NH3+] ZINC000397255249 323080771 /nfs/dbraw/zinc/08/07/71/323080771.db2.gz FHCXIHCDJQKQFF-IJLUTSLNSA-N 2 1 236.363 1.225 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000531716360 323112100 /nfs/dbraw/zinc/11/21/00/323112100.db2.gz SYHQXURCNQCQTE-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401781532 323122610 /nfs/dbraw/zinc/12/26/10/323122610.db2.gz QKVPHDJVDXBLDV-SNVBAGLBSA-N 2 1 247.346 1.355 20 0 BDADMP CCc1nc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000563422839 323124313 /nfs/dbraw/zinc/12/43/13/323124313.db2.gz CCUXJJQRAQOYMT-LPEHRKFASA-N 2 1 237.351 1.288 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000563528763 323129243 /nfs/dbraw/zinc/12/92/43/323129243.db2.gz FAAJUUOQQIWFKI-YNEHKIRRSA-N 2 1 228.380 1.323 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000258934974 323146476 /nfs/dbraw/zinc/14/64/76/323146476.db2.gz OYLDHZXVQCGWFO-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000571560116 323147855 /nfs/dbraw/zinc/14/78/55/323147855.db2.gz DASXILSWPVTSMF-SSDOTTSWSA-N 2 1 218.260 1.215 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000305630846 323171143 /nfs/dbraw/zinc/17/11/43/323171143.db2.gz MLCMERUGQGCOQA-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000565156160 323324347 /nfs/dbraw/zinc/32/43/47/323324347.db2.gz HMNCKOPSASUIBX-RQJABVFESA-N 2 1 242.407 1.713 20 0 BDADMP C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000309225260 323330588 /nfs/dbraw/zinc/33/05/88/323330588.db2.gz RPERTFVZCWPWBE-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000309255419 323332246 /nfs/dbraw/zinc/33/22/46/323332246.db2.gz OCDLQVCQKJRSGM-TUAOUCFPSA-N 2 1 246.420 1.125 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000309255419 323332250 /nfs/dbraw/zinc/33/22/50/323332250.db2.gz OCDLQVCQKJRSGM-TUAOUCFPSA-N 2 1 246.420 1.125 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000123101054 324081027 /nfs/dbraw/zinc/08/10/27/324081027.db2.gz LGDOUWKRTWYOQH-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000328277921 324389777 /nfs/dbraw/zinc/38/97/77/324389777.db2.gz RFFNKVPHQKLESH-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP COC[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000083906939 487964281 /nfs/dbraw/zinc/96/42/81/487964281.db2.gz LGCMZCVYOASHNU-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CCOC1 ZINC000130692851 325080906 /nfs/dbraw/zinc/08/09/06/325080906.db2.gz NUEMAMGUBWDBDP-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CCOC1 ZINC000130692851 325080907 /nfs/dbraw/zinc/08/09/07/325080907.db2.gz NUEMAMGUBWDBDP-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]1(C)CO ZINC000545396717 325219011 /nfs/dbraw/zinc/21/90/11/325219011.db2.gz WJBABESBGYWOPY-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@]1(C)CO ZINC000545396717 325219016 /nfs/dbraw/zinc/21/90/16/325219016.db2.gz WJBABESBGYWOPY-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@]1(C)CO ZINC000545396717 325219020 /nfs/dbraw/zinc/21/90/20/325219020.db2.gz WJBABESBGYWOPY-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000158592574 487968282 /nfs/dbraw/zinc/96/82/82/487968282.db2.gz ASYVUNWSLQITKZ-JTQLQIEISA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CC[N@H+]1C ZINC000566185308 326003921 /nfs/dbraw/zinc/00/39/21/326003921.db2.gz AZNLGRBAGXCKGJ-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP Cc1nccn1CC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000566854198 326088387 /nfs/dbraw/zinc/08/83/87/326088387.db2.gz XPKPVAMMSAVFDF-AWEZNQCLSA-N 2 1 249.358 1.692 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000567654264 326239323 /nfs/dbraw/zinc/23/93/23/326239323.db2.gz KIMJIOJPESNIMG-CHWSQXEVSA-N 2 1 223.364 1.156 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1c[nH+]ccc1N ZINC000567674479 326242524 /nfs/dbraw/zinc/24/25/24/326242524.db2.gz MVLKSNBJPNIKFW-MMWGEVLESA-N 2 1 217.316 1.943 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000567871210 326274144 /nfs/dbraw/zinc/27/41/44/326274144.db2.gz ZRCPYGSKFYRZCF-FIQHERPVSA-N 3 1 213.369 1.232 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889695 326276692 /nfs/dbraw/zinc/27/66/92/326276692.db2.gz KJZROULDAYCDMX-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889694 326277237 /nfs/dbraw/zinc/27/72/37/326277237.db2.gz KJZROULDAYCDMX-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1OCC[C@@]1(C)[NH2+]CCCc1c[nH+]cn1C ZINC000314172699 326294043 /nfs/dbraw/zinc/29/40/43/326294043.db2.gz OYWRIYCOPPNJTK-WCQYABFASA-N 2 1 237.347 1.510 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000158268617 326314452 /nfs/dbraw/zinc/31/44/52/326314452.db2.gz ZDFKSALIRNTBNL-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248508 326334317 /nfs/dbraw/zinc/33/43/17/326334317.db2.gz SXMHPSRBMRXWRT-HZSPNIEDSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248508 326334318 /nfs/dbraw/zinc/33/43/18/326334318.db2.gz SXMHPSRBMRXWRT-HZSPNIEDSA-N 2 1 239.407 1.720 20 0 BDADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248675 326334647 /nfs/dbraw/zinc/33/46/47/326334647.db2.gz XTMXTIYTHQMYCN-GHMZBOCLSA-N 2 1 235.331 1.450 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000568261431 326336729 /nfs/dbraw/zinc/33/67/29/326336729.db2.gz UMEMEEMSPWFOBP-OLZOCXBDSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000568261431 326336730 /nfs/dbraw/zinc/33/67/30/326336730.db2.gz UMEMEEMSPWFOBP-OLZOCXBDSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000568261431 326336732 /nfs/dbraw/zinc/33/67/32/326336732.db2.gz UMEMEEMSPWFOBP-OLZOCXBDSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1C1CC1 ZINC000568261431 326336734 /nfs/dbraw/zinc/33/67/34/326336734.db2.gz UMEMEEMSPWFOBP-OLZOCXBDSA-N 2 1 226.364 1.172 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)on1 ZINC000568499280 326359654 /nfs/dbraw/zinc/35/96/54/326359654.db2.gz CYFWGUWRTBDCMO-GWCFXTLKSA-N 2 1 237.347 1.715 20 0 BDADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000083949213 487972254 /nfs/dbraw/zinc/97/22/54/487972254.db2.gz FKWGXXWDEDIVLF-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400468347 487980368 /nfs/dbraw/zinc/98/03/68/487980368.db2.gz UKMZCXYTGMCUMS-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CCOc2ccccc21 ZINC000158991047 487985528 /nfs/dbraw/zinc/98/55/28/487985528.db2.gz OHOMVCNIBPZQRT-GFCCVEGCSA-N 2 1 234.343 1.833 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)nc1 ZINC000400841193 487992811 /nfs/dbraw/zinc/99/28/11/487992811.db2.gz XDXYWRSQGLGGOZ-GFCCVEGCSA-N 2 1 219.332 1.622 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000134717583 487996649 /nfs/dbraw/zinc/99/66/49/487996649.db2.gz ZDMFLWSUJPFTBC-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[NH2+]1 ZINC000235668555 488000413 /nfs/dbraw/zinc/00/04/13/488000413.db2.gz IDOZEGXSKGZWKG-UWVGGRQHSA-N 2 1 235.335 1.095 20 0 BDADMP C(CC1CC[NH2+]CC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908650 488013148 /nfs/dbraw/zinc/01/31/48/488013148.db2.gz UNTIOAXFXHTHEZ-OKILXGFUSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@H+](Cc1ccccc1)C1(C[NH3+])CCOCC1 ZINC000036304833 488048437 /nfs/dbraw/zinc/04/84/37/488048437.db2.gz CZZQHEZJEJDJIH-UHFFFAOYSA-N 2 1 234.343 1.626 20 0 BDADMP C[N@@H+](Cc1ccccc1)C1(C[NH3+])CCOCC1 ZINC000036304833 488048439 /nfs/dbraw/zinc/04/84/39/488048439.db2.gz CZZQHEZJEJDJIH-UHFFFAOYSA-N 2 1 234.343 1.626 20 0 BDADMP C[NH+](C)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084479611 488053740 /nfs/dbraw/zinc/05/37/40/488053740.db2.gz YGEKMKXZXKXZGF-NSHDSACASA-N 2 1 213.369 1.010 20 0 BDADMP CN(C)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084479611 488053747 /nfs/dbraw/zinc/05/37/47/488053747.db2.gz YGEKMKXZXKXZGF-NSHDSACASA-N 2 1 213.369 1.010 20 0 BDADMP CN(C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084479611 488053752 /nfs/dbraw/zinc/05/37/52/488053752.db2.gz YGEKMKXZXKXZGF-NSHDSACASA-N 2 1 213.369 1.010 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC000230132275 488057632 /nfs/dbraw/zinc/05/76/32/488057632.db2.gz WYZDQOHANGRXNG-ZOBORPQBSA-N 2 1 238.375 1.615 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257651314 488075263 /nfs/dbraw/zinc/07/52/63/488075263.db2.gz DIZMWEKKWPSAKQ-OLZOCXBDSA-N 2 1 224.348 1.098 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000389123565 488077545 /nfs/dbraw/zinc/07/75/45/488077545.db2.gz CPPJTPVTXKOURK-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000389123565 488077550 /nfs/dbraw/zinc/07/75/50/488077550.db2.gz CPPJTPVTXKOURK-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000389123566 488077618 /nfs/dbraw/zinc/07/76/18/488077618.db2.gz CPPJTPVTXKOURK-XQQFMLRXSA-N 2 1 225.380 1.330 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000389123566 488077621 /nfs/dbraw/zinc/07/76/21/488077621.db2.gz CPPJTPVTXKOURK-XQQFMLRXSA-N 2 1 225.380 1.330 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000389253516 488085373 /nfs/dbraw/zinc/08/53/73/488085373.db2.gz NEFRJFHHLQVUGP-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1ncc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)n1C ZINC000667696510 488090516 /nfs/dbraw/zinc/09/05/16/488090516.db2.gz YPMMWFGRBIGJJH-AAEUAGOBSA-N 2 1 237.347 1.321 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CC[N@H+]1C ZINC000227648874 488108608 /nfs/dbraw/zinc/10/86/08/488108608.db2.gz CHLZALHRWNTUIO-AHPWVWPOSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CCO)C1 ZINC000683141241 488118127 /nfs/dbraw/zinc/11/81/27/488118127.db2.gz RZZKFDHUORWCPU-CQSZACIVSA-N 2 1 242.407 1.813 20 0 BDADMP COc1cccc(C[NH2+][C@H](C)CC[NH3+])c1F ZINC000397452188 488119657 /nfs/dbraw/zinc/11/96/57/488119657.db2.gz OGLNZTFATCKWBX-SECBINFHSA-N 2 1 226.295 1.661 20 0 BDADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000403612003 488129205 /nfs/dbraw/zinc/12/92/05/488129205.db2.gz IZHZVKGDEOHWLQ-RGDJUOJXSA-N 2 1 220.360 1.574 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)CO)CC1 ZINC000121133807 490076717 /nfs/dbraw/zinc/07/67/17/490076717.db2.gz DEHKDNPKYWTONO-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CC2)CC1)C1CC1 ZINC000685569973 487551509 /nfs/dbraw/zinc/55/15/09/487551509.db2.gz JIFQJFGOUOXJJO-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CC2)CC1)C1CC1 ZINC000685569973 487551511 /nfs/dbraw/zinc/55/15/11/487551511.db2.gz JIFQJFGOUOXJJO-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC000685462820 487530712 /nfs/dbraw/zinc/53/07/12/487530712.db2.gz MQPQZGULLOQQOZ-CQSZACIVSA-N 2 1 248.374 1.573 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCOC2)C1 ZINC000674302275 487554935 /nfs/dbraw/zinc/55/49/35/487554935.db2.gz KZNXBUTVAFWUQW-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302275 487554936 /nfs/dbraw/zinc/55/49/36/487554936.db2.gz KZNXBUTVAFWUQW-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302275 487554937 /nfs/dbraw/zinc/55/49/37/487554937.db2.gz KZNXBUTVAFWUQW-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccnc2ccccc12 ZINC000162018515 487532722 /nfs/dbraw/zinc/53/27/22/487532722.db2.gz SSOUEAMZKJAERO-SNVBAGLBSA-N 2 1 215.300 1.672 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000167125685 488140049 /nfs/dbraw/zinc/14/00/49/488140049.db2.gz SIUSUDKEISOSDJ-QJPTWQEYSA-N 2 1 212.337 1.238 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H](C)COC ZINC000668747626 487473320 /nfs/dbraw/zinc/47/33/20/487473320.db2.gz JLAXUCMITPMBGW-GFCCVEGCSA-N 2 1 230.396 1.979 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H](C)COC ZINC000668747626 487473321 /nfs/dbraw/zinc/47/33/21/487473321.db2.gz JLAXUCMITPMBGW-GFCCVEGCSA-N 2 1 230.396 1.979 20 0 BDADMP COC[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000167891821 487474163 /nfs/dbraw/zinc/47/41/63/487474163.db2.gz AGHFYDJFMWXCEU-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000399987811 487498996 /nfs/dbraw/zinc/49/89/96/487498996.db2.gz CYNUDQSWNUAYJE-ZIAGYGMSSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000399987811 487499000 /nfs/dbraw/zinc/49/90/00/487499000.db2.gz CYNUDQSWNUAYJE-ZIAGYGMSSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000399987811 487499004 /nfs/dbraw/zinc/49/90/04/487499004.db2.gz CYNUDQSWNUAYJE-ZIAGYGMSSA-N 2 1 240.391 1.419 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000381069657 487494362 /nfs/dbraw/zinc/49/43/62/487494362.db2.gz NUJIBFZSESSRGP-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000381069657 487494363 /nfs/dbraw/zinc/49/43/63/487494363.db2.gz NUJIBFZSESSRGP-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000381069657 487494364 /nfs/dbraw/zinc/49/43/64/487494364.db2.gz NUJIBFZSESSRGP-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000381084268 487494709 /nfs/dbraw/zinc/49/47/09/487494709.db2.gz SGQJPHXDTOHHRY-AGIUHOORSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000381084268 487494718 /nfs/dbraw/zinc/49/47/18/487494718.db2.gz SGQJPHXDTOHHRY-AGIUHOORSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000381084268 487494729 /nfs/dbraw/zinc/49/47/29/487494729.db2.gz SGQJPHXDTOHHRY-AGIUHOORSA-N 2 1 228.380 1.418 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1=CCSC1 ZINC000662266616 487503831 /nfs/dbraw/zinc/50/38/31/487503831.db2.gz JFVUYSQXQPBNAG-UHFFFAOYSA-N 2 1 237.372 1.797 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC1=CCSC1 ZINC000662266616 487503838 /nfs/dbraw/zinc/50/38/38/487503838.db2.gz JFVUYSQXQPBNAG-UHFFFAOYSA-N 2 1 237.372 1.797 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000379801391 488150514 /nfs/dbraw/zinc/15/05/14/488150514.db2.gz MPXQIIOOWQZOFX-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162065432 487534118 /nfs/dbraw/zinc/53/41/18/487534118.db2.gz MDVFFIBNXHSSDB-OLZOCXBDSA-N 2 1 246.354 1.833 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226968806 488136602 /nfs/dbraw/zinc/13/66/02/488136602.db2.gz HGCAKZNSQLMQQA-CMPLNLGQSA-N 2 1 236.363 1.152 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226968806 488136606 /nfs/dbraw/zinc/13/66/06/488136606.db2.gz HGCAKZNSQLMQQA-CMPLNLGQSA-N 2 1 236.363 1.152 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230745403 488150541 /nfs/dbraw/zinc/15/05/41/488150541.db2.gz YUFSOXGFYOSGNG-NEPJUHHUSA-N 2 1 236.363 1.022 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657876592 488160011 /nfs/dbraw/zinc/16/00/11/488160011.db2.gz XZXMAQYRNSRQQZ-RNJOBUHISA-N 2 1 240.391 1.323 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)n1C ZINC000668031929 488191104 /nfs/dbraw/zinc/19/11/04/488191104.db2.gz MUOLFAPEZLFIBP-GARJFASQSA-N 2 1 237.347 1.726 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)CC(C)(C)C ZINC000678075770 488192122 /nfs/dbraw/zinc/19/21/22/488192122.db2.gz HLWOPTUNIIWOFG-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)CC(C)(C)C ZINC000678075770 488192124 /nfs/dbraw/zinc/19/21/24/488192124.db2.gz HLWOPTUNIIWOFG-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)CC(C)(C)C ZINC000678075770 488192128 /nfs/dbraw/zinc/19/21/28/488192128.db2.gz HLWOPTUNIIWOFG-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000678081884 488193024 /nfs/dbraw/zinc/19/30/24/488193024.db2.gz GDVPCYAIGKKEQS-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000678081884 488193026 /nfs/dbraw/zinc/19/30/26/488193026.db2.gz GDVPCYAIGKKEQS-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000678081884 488193028 /nfs/dbraw/zinc/19/30/28/488193028.db2.gz GDVPCYAIGKKEQS-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]1COCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000678080953 488193359 /nfs/dbraw/zinc/19/33/59/488193359.db2.gz QGQSYUUINLPYNS-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1COCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678080953 488193361 /nfs/dbraw/zinc/19/33/61/488193361.db2.gz QGQSYUUINLPYNS-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1COCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678080953 488193365 /nfs/dbraw/zinc/19/33/65/488193365.db2.gz QGQSYUUINLPYNS-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)[C@H](C)C1 ZINC000669544122 488197005 /nfs/dbraw/zinc/19/70/05/488197005.db2.gz SSYHBVBOVDAHDY-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP Cc1ncc(C[N@H+]2CCC23CCOCC3)n1C ZINC000668068847 488197330 /nfs/dbraw/zinc/19/73/30/488197330.db2.gz YWTQAVZRKGRJSO-UHFFFAOYSA-N 2 1 235.331 1.483 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)n1C ZINC000668189052 488217579 /nfs/dbraw/zinc/21/75/79/488217579.db2.gz XTBYBFLWLQXMCA-AWEZNQCLSA-N 2 1 248.374 1.256 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)n1C ZINC000668189052 488217582 /nfs/dbraw/zinc/21/75/82/488217582.db2.gz XTBYBFLWLQXMCA-AWEZNQCLSA-N 2 1 248.374 1.256 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000323765225 488221169 /nfs/dbraw/zinc/22/11/69/488221169.db2.gz WAVLDHZYJOZCNK-STQMWFEESA-N 2 1 228.380 1.466 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cn[nH]c2)C1 ZINC000678285566 488237215 /nfs/dbraw/zinc/23/72/15/488237215.db2.gz NTTMLHAUTDZGAF-LLVKDONJSA-N 2 1 222.336 1.183 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000211960331 488354535 /nfs/dbraw/zinc/35/45/35/488354535.db2.gz FMCOJWQNBODXDX-LBPRGKRZSA-N 2 1 246.354 1.553 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000211960331 488354537 /nfs/dbraw/zinc/35/45/37/488354537.db2.gz FMCOJWQNBODXDX-LBPRGKRZSA-N 2 1 246.354 1.553 20 0 BDADMP COC[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319717 490051371 /nfs/dbraw/zinc/05/13/71/490051371.db2.gz KZEQVZQOVVJRPG-QWHCGFSZSA-N 2 1 244.379 1.064 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000381079294 490267691 /nfs/dbraw/zinc/26/76/91/490267691.db2.gz QYDZFXGRVQLZRZ-CHWSQXEVSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000381079294 490267697 /nfs/dbraw/zinc/26/76/97/490267697.db2.gz QYDZFXGRVQLZRZ-CHWSQXEVSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000381079294 490267699 /nfs/dbraw/zinc/26/76/99/490267699.db2.gz QYDZFXGRVQLZRZ-CHWSQXEVSA-N 2 1 228.380 1.562 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1CCCO1 ZINC000631890734 490288910 /nfs/dbraw/zinc/28/89/10/490288910.db2.gz SLVPTSZWCUCCPL-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1CCCO1 ZINC000631890734 490288917 /nfs/dbraw/zinc/28/89/17/490288917.db2.gz SLVPTSZWCUCCPL-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000335424660 490542022 /nfs/dbraw/zinc/54/20/22/490542022.db2.gz GLTNCYRMIYWLQK-CMPLNLGQSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)O1 ZINC000300351522 490557764 /nfs/dbraw/zinc/55/77/64/490557764.db2.gz BEKQYVJLHIGCSH-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CN(CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000133737999 491159967 /nfs/dbraw/zinc/15/99/67/491159967.db2.gz BHGSOEJHITXELO-OAHLLOKOSA-N 2 1 247.386 1.542 20 0 BDADMP CSC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400479398 533781991 /nfs/dbraw/zinc/78/19/91/533781991.db2.gz FDUHJWVCJLUFKW-AEJSXWLSSA-N 2 1 202.367 1.468 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000261540337 535610121 /nfs/dbraw/zinc/61/01/21/535610121.db2.gz GEOBDGDGPOUKDN-YPMHNXCESA-N 2 1 236.363 1.462 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000261540337 535610125 /nfs/dbraw/zinc/61/01/25/535610125.db2.gz GEOBDGDGPOUKDN-YPMHNXCESA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251889074 535846212 /nfs/dbraw/zinc/84/62/12/535846212.db2.gz WSQIXEOSQQLNLT-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251889074 535846217 /nfs/dbraw/zinc/84/62/17/535846217.db2.gz WSQIXEOSQQLNLT-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000251889074 535846227 /nfs/dbraw/zinc/84/62/27/535846227.db2.gz WSQIXEOSQQLNLT-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000253258843 535901738 /nfs/dbraw/zinc/90/17/38/535901738.db2.gz HFVOKPSGHCUQAR-DGAVXFQQSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@H]1CCc2ccccc2C1 ZINC000227745537 536342585 /nfs/dbraw/zinc/34/25/85/536342585.db2.gz WPXPKEXSJKMIPW-AWEZNQCLSA-N 2 1 218.344 1.825 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1CCCn1cc[nH+]c1C ZINC000348755396 536458665 /nfs/dbraw/zinc/45/86/65/536458665.db2.gz HBNKIQDHLLEXHC-ZDUSSCGKSA-N 2 1 236.363 1.265 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000261764504 536463285 /nfs/dbraw/zinc/46/32/85/536463285.db2.gz DHBAUXDNQUSIQM-MGPQQGTHSA-N 2 1 237.391 1.012 20 0 BDADMP CN1CC[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000261764504 536463286 /nfs/dbraw/zinc/46/32/86/536463286.db2.gz DHBAUXDNQUSIQM-MGPQQGTHSA-N 2 1 237.391 1.012 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000261764504 536463287 /nfs/dbraw/zinc/46/32/87/536463287.db2.gz DHBAUXDNQUSIQM-MGPQQGTHSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000335853771 536481255 /nfs/dbraw/zinc/48/12/55/536481255.db2.gz HBIBBQWUCYOYDF-OCCSQVGLSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000335853771 536481256 /nfs/dbraw/zinc/48/12/56/536481256.db2.gz HBIBBQWUCYOYDF-OCCSQVGLSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000336022147 536482255 /nfs/dbraw/zinc/48/22/55/536482255.db2.gz BPAXJBTVSAYDRD-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000336022147 536482256 /nfs/dbraw/zinc/48/22/56/536482256.db2.gz BPAXJBTVSAYDRD-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP COC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000261544103 536523821 /nfs/dbraw/zinc/52/38/21/536523821.db2.gz WRKLOPRUANJEPS-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000309026223 528829903 /nfs/dbraw/zinc/82/99/03/528829903.db2.gz YCASTPRJOGUEPJ-VXGBXAGGSA-N 3 1 215.385 1.432 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000309026223 528829909 /nfs/dbraw/zinc/82/99/09/528829909.db2.gz YCASTPRJOGUEPJ-VXGBXAGGSA-N 3 1 215.385 1.432 20 0 BDADMP CCOC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000400469010 528995989 /nfs/dbraw/zinc/99/59/89/528995989.db2.gz UNLZRUSTSZBQCE-AGIUHOORSA-N 2 1 228.380 1.778 20 0 BDADMP CCCCC[N@H+](CCO)CCn1cc[nH+]c1C ZINC000342607484 535042047 /nfs/dbraw/zinc/04/20/47/535042047.db2.gz QPNXCTOTJJYQNL-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP CCCCC[N@@H+](CCO)CCn1cc[nH+]c1C ZINC000342607484 535042050 /nfs/dbraw/zinc/04/20/50/535042050.db2.gz QPNXCTOTJJYQNL-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000257767088 535153292 /nfs/dbraw/zinc/15/32/92/535153292.db2.gz AINRLOKRGQMHNF-UHFFFAOYSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223644672 535160275 /nfs/dbraw/zinc/16/02/75/535160275.db2.gz PXYPDKUOEUJQEL-SDDRHHMPSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252715954 535161001 /nfs/dbraw/zinc/16/10/01/535161001.db2.gz XEOFSBYGMBMROK-YVECIDJPSA-N 2 1 228.380 1.322 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000261724165 535177113 /nfs/dbraw/zinc/17/71/13/535177113.db2.gz GJYRKBMILXCMFN-GFCCVEGCSA-N 2 1 238.379 1.046 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000261535627 535513977 /nfs/dbraw/zinc/51/39/77/535513977.db2.gz OVGQLVPDYDSWTL-OUAUKWLOSA-N 2 1 212.337 1.142 20 0 BDADMP CCOCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249296410 535549985 /nfs/dbraw/zinc/54/99/85/535549985.db2.gz DBRFQUSRCBKHJQ-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+](C)C(C)C)C1 ZINC000343153629 535781678 /nfs/dbraw/zinc/78/16/78/535781678.db2.gz DOGZDUYSWFMMMR-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@H+](C)C(C)C)C1 ZINC000343153629 535781681 /nfs/dbraw/zinc/78/16/81/535781681.db2.gz DOGZDUYSWFMMMR-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@@H+](C)C(C)C)C1 ZINC000343153629 535781683 /nfs/dbraw/zinc/78/16/83/535781683.db2.gz DOGZDUYSWFMMMR-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000253258843 535901734 /nfs/dbraw/zinc/90/17/34/535901734.db2.gz HFVOKPSGHCUQAR-DGAVXFQQSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000252713314 536000477 /nfs/dbraw/zinc/00/04/77/536000477.db2.gz OUZHBLCFIWAQMT-ZDEQEGDKSA-N 2 1 228.380 1.323 20 0 BDADMP CC[C@@]1(C)CCC[N@@H+](CCOCC[NH3+])C1 ZINC000261550812 536038100 /nfs/dbraw/zinc/03/81/00/536038100.db2.gz PSRUULYPNHWSGQ-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000336165886 536136405 /nfs/dbraw/zinc/13/64/05/536136405.db2.gz GBNINPURPRCWPU-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000336119423 536137704 /nfs/dbraw/zinc/13/77/04/536137704.db2.gz NPVWLSQENNORMR-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](CCC1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262111034 536326577 /nfs/dbraw/zinc/32/65/77/536326577.db2.gz WMXJBFPVZHNJJP-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc[nH]n2)CC1 ZINC000335680861 536348886 /nfs/dbraw/zinc/34/88/86/536348886.db2.gz OVFADPKRPRGLPZ-UHFFFAOYSA-N 2 1 234.347 1.470 20 0 BDADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc[nH]n2)CC1 ZINC000335680861 536348890 /nfs/dbraw/zinc/34/88/90/536348890.db2.gz OVFADPKRPRGLPZ-UHFFFAOYSA-N 2 1 234.347 1.470 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527497 536412866 /nfs/dbraw/zinc/41/28/66/536412866.db2.gz BXUSHVPCXAKQEC-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527497 536412867 /nfs/dbraw/zinc/41/28/67/536412867.db2.gz BXUSHVPCXAKQEC-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP COCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250442227 536589725 /nfs/dbraw/zinc/58/97/25/536589725.db2.gz BEFOBKPGNYDWAI-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1C ZINC000261533374 536730110 /nfs/dbraw/zinc/73/01/10/536730110.db2.gz HJTMBTJTXOFESQ-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H](CO)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394451939 582976414 /nfs/dbraw/zinc/97/64/14/582976414.db2.gz TWXGURFINFIGOA-FKJOKYEKSA-N 2 1 226.364 1.172 20 0 BDADMP C[N@@H+](CCC1SCCS1)C1(C[NH3+])CCC1 ZINC000853023163 588716541 /nfs/dbraw/zinc/71/65/41/588716541.db2.gz OTZLNXPGBQWPAW-UHFFFAOYSA-N 2 1 246.445 1.996 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1SCCS1 ZINC000853022927 588716590 /nfs/dbraw/zinc/71/65/90/588716590.db2.gz HVRWQTITVIBUST-UWVGGRQHSA-N 2 1 246.445 1.852 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000854230084 588780912 /nfs/dbraw/zinc/78/09/12/588780912.db2.gz GNEFIWFYXAWKTA-VHSXEESVSA-N 2 1 210.325 1.434 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1SCCS1 ZINC000854231831 588781199 /nfs/dbraw/zinc/78/11/99/588781199.db2.gz NJUMVNKSJUDPGG-ZJUUUORDSA-N 2 1 246.445 1.770 20 0 BDADMP Cc1cc(N)nc(NCC[NH+]2CCC(C)CC2)[nH+]1 ZINC000891829858 582727280 /nfs/dbraw/zinc/72/72/80/582727280.db2.gz KYPNHCBFBPDXSP-UHFFFAOYSA-N 2 1 249.362 1.511 20 0 BDADMP Cc1cc(N)nc(NCC[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000891837884 582727935 /nfs/dbraw/zinc/72/79/35/582727935.db2.gz LEZMEVJPENMZBX-NSHDSACASA-N 2 1 249.362 1.654 20 0 BDADMP Cc1cc(N)nc(NCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000891837884 582727938 /nfs/dbraw/zinc/72/79/38/582727938.db2.gz LEZMEVJPENMZBX-NSHDSACASA-N 2 1 249.362 1.654 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892178911 582805793 /nfs/dbraw/zinc/80/57/93/582805793.db2.gz DWPAGIZOWFNKBS-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CN1CC[N@@H+](CCCCCCC[NH3+])CC1(C)C ZINC000110763101 582814760 /nfs/dbraw/zinc/81/47/60/582814760.db2.gz ZDBXZSRCQCWZSX-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892607163 582928621 /nfs/dbraw/zinc/92/86/21/582928621.db2.gz HVLLPXYJUDBOGG-CYZMBNFOSA-N 2 1 240.347 1.154 20 0 BDADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2CO)C[N@H+]1C1CC1 ZINC000892875629 583001591 /nfs/dbraw/zinc/00/15/91/583001591.db2.gz HEOIOACYRPJDHV-JQWIXIFHSA-N 2 1 247.342 1.033 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857085124 588886453 /nfs/dbraw/zinc/88/64/53/588886453.db2.gz ISSPPPGFTYXYQS-CHWSQXEVSA-N 2 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857085124 588886454 /nfs/dbraw/zinc/88/64/54/588886454.db2.gz ISSPPPGFTYXYQS-CHWSQXEVSA-N 2 1 225.380 1.319 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000857085124 588886455 /nfs/dbraw/zinc/88/64/55/588886455.db2.gz ISSPPPGFTYXYQS-CHWSQXEVSA-N 2 1 225.380 1.319 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000857085124 588886456 /nfs/dbraw/zinc/88/64/56/588886456.db2.gz ISSPPPGFTYXYQS-CHWSQXEVSA-N 2 1 225.380 1.319 20 0 BDADMP Cc1ncoc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894001689 583272578 /nfs/dbraw/zinc/27/25/78/583272578.db2.gz IWRMEHZNYCKYAU-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP Cc1ncoc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000894093144 583300111 /nfs/dbraw/zinc/30/01/11/583300111.db2.gz CWSQUFGFUUPQCZ-OLZOCXBDSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000894093144 583300113 /nfs/dbraw/zinc/30/01/13/583300113.db2.gz CWSQUFGFUUPQCZ-OLZOCXBDSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000894093144 583300116 /nfs/dbraw/zinc/30/01/16/583300116.db2.gz CWSQUFGFUUPQCZ-OLZOCXBDSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000894093144 583300119 /nfs/dbraw/zinc/30/01/19/583300119.db2.gz CWSQUFGFUUPQCZ-OLZOCXBDSA-N 2 1 249.358 1.899 20 0 BDADMP CC(C)C[C@@H](CO)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894496809 583473360 /nfs/dbraw/zinc/47/33/60/583473360.db2.gz RALIRLCEIOSKRG-AWEZNQCLSA-N 2 1 242.407 1.667 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000894708055 583512005 /nfs/dbraw/zinc/51/20/05/583512005.db2.gz RFEYJTYAOPHFRE-GFCCVEGCSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)CC1 ZINC000894779583 583519629 /nfs/dbraw/zinc/51/96/29/583519629.db2.gz IXGOXVVZAFRKNT-ZDUSSCGKSA-N 2 1 248.374 1.573 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000894860780 583534274 /nfs/dbraw/zinc/53/42/74/583534274.db2.gz GLMYAQCHULIUIW-DGCLKSJQSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cccc(F)c1N)[NH+](C)C ZINC000895291578 583636961 /nfs/dbraw/zinc/63/69/61/583636961.db2.gz GERSSYCVHKNMCQ-JTQLQIEISA-N 2 1 239.338 1.838 20 0 BDADMP C[C@H](O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000895443776 583674662 /nfs/dbraw/zinc/67/46/62/583674662.db2.gz YWTPBTDLEMMIAE-YEJSDXFRSA-N 2 1 224.348 1.115 20 0 BDADMP C[C@H]1[C@H](Nc2cc(N)[nH+]cc2Cl)CC[N@H+]1C ZINC000895735482 583717026 /nfs/dbraw/zinc/71/70/26/583717026.db2.gz VHRJMETYYLUMRM-IONNQARKSA-N 2 1 240.738 1.822 20 0 BDADMP Cc1cc(NC[C@H]2CCN2C)nc(C2CC2)n1 ZINC000895771497 583724907 /nfs/dbraw/zinc/72/49/07/583724907.db2.gz MENIIZRCTHWKCT-LLVKDONJSA-N 2 1 232.331 1.778 20 0 BDADMP CN(C)c1ccnc(C[NH2+]C2CSC2)c1 ZINC000896299270 583789536 /nfs/dbraw/zinc/78/95/36/583789536.db2.gz YIYDMZQKBSEKMM-UHFFFAOYSA-N 2 1 223.345 1.353 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)C2CC2)CC1(C)C ZINC000858138070 588934880 /nfs/dbraw/zinc/93/48/80/588934880.db2.gz NJIVFFUGAJVKIN-RYUDHWBXSA-N 2 1 226.364 1.220 20 0 BDADMP CCO[C@H](C[NH2+]CCC[C@@H]1CCO1)C[NH+](C)C ZINC000896880004 583844852 /nfs/dbraw/zinc/84/48/52/583844852.db2.gz KZRDKKYIPUZCOT-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+](C)C ZINC000896879172 583845035 /nfs/dbraw/zinc/84/50/35/583845035.db2.gz ZKLMISJKXXKWAQ-ZOBORPQBSA-N 2 1 240.391 1.731 20 0 BDADMP CC1(C)CC[N@@H+](CCNc2cc[nH+]cc2CO)C1 ZINC000897248747 583902783 /nfs/dbraw/zinc/90/27/83/583902783.db2.gz ZZTRKCXECDIRBI-UHFFFAOYSA-N 2 1 249.358 1.140 20 0 BDADMP CSC1(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1 ZINC000897620295 584032542 /nfs/dbraw/zinc/03/25/42/584032542.db2.gz LQQCUPBMWNBHBS-NWDGAFQWSA-N 2 1 240.416 1.766 20 0 BDADMP CSC1(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000897620295 584032543 /nfs/dbraw/zinc/03/25/43/584032543.db2.gz LQQCUPBMWNBHBS-NWDGAFQWSA-N 2 1 240.416 1.766 20 0 BDADMP CSC1(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000897620295 584032545 /nfs/dbraw/zinc/03/25/45/584032545.db2.gz LQQCUPBMWNBHBS-NWDGAFQWSA-N 2 1 240.416 1.766 20 0 BDADMP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897818108 584051019 /nfs/dbraw/zinc/05/10/19/584051019.db2.gz FDOGGJZXWWICTD-VVRFCBCGSA-N 2 1 248.370 1.379 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898110491 584083741 /nfs/dbraw/zinc/08/37/41/584083741.db2.gz FCSBMIVATKDRIW-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC[C@@H]1CCOC1 ZINC000898308107 584109749 /nfs/dbraw/zinc/10/97/49/584109749.db2.gz OICJSVMSPZJBNN-CYBMUJFWSA-N 2 1 242.407 1.933 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)CC[N@@H+]1C ZINC000898380769 584115352 /nfs/dbraw/zinc/11/53/52/584115352.db2.gz VBGBFXWMKBTYIC-ZZVYKPCYSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)CC[N@H+]1C ZINC000898380769 584115354 /nfs/dbraw/zinc/11/53/54/584115354.db2.gz VBGBFXWMKBTYIC-ZZVYKPCYSA-N 2 1 238.375 1.484 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000873258320 584128248 /nfs/dbraw/zinc/12/82/48/584128248.db2.gz NUTDJRLHINSUDI-ZDEQEGDKSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000873258320 584128250 /nfs/dbraw/zinc/12/82/50/584128250.db2.gz NUTDJRLHINSUDI-ZDEQEGDKSA-N 2 1 225.380 1.044 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899267220 584190632 /nfs/dbraw/zinc/19/06/32/584190632.db2.gz MHOZGDDRISEHIQ-LLVKDONJSA-N 2 1 240.395 1.631 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348236 584559452 /nfs/dbraw/zinc/55/94/52/584559452.db2.gz XYTYLLYWVJHRRX-ZDUSSCGKSA-N 2 1 241.423 1.694 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000902391988 584583068 /nfs/dbraw/zinc/58/30/68/584583068.db2.gz DIEZXMGGKOJEFZ-CYBMUJFWSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902395000 584584439 /nfs/dbraw/zinc/58/44/39/584584439.db2.gz ZNYMLIHQZSLLMS-JHJVBQTASA-N 3 1 239.407 1.352 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000902404131 584589074 /nfs/dbraw/zinc/58/90/74/584589074.db2.gz CGUHNQGMDINHOW-LBPRGKRZSA-N 2 1 232.327 1.851 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+]CC1([NH3+])CC1 ZINC000902415337 584589921 /nfs/dbraw/zinc/58/99/21/584589921.db2.gz DVBCEPMWYCMMFT-SNVBAGLBSA-N 2 1 212.337 1.273 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902431212 584595307 /nfs/dbraw/zinc/59/53/07/584595307.db2.gz SIXFQGOCRQURIU-RQJABVFESA-N 2 1 240.391 1.515 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000902473959 584602274 /nfs/dbraw/zinc/60/22/74/584602274.db2.gz AWJMYYYNLJTCQN-RKQHYHRCSA-N 2 1 238.375 1.673 20 0 BDADMP C1C[C@H]2C[C@H](N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@H+]2C1 ZINC000902475289 584602681 /nfs/dbraw/zinc/60/26/81/584602681.db2.gz HRZQXTNTZMTROF-PEBLQZBPSA-N 2 1 235.375 1.096 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448972 584605422 /nfs/dbraw/zinc/60/54/22/584605422.db2.gz KGBHZGDRQKGSJO-RYUDHWBXSA-N 2 1 228.380 1.635 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000902461713 584611182 /nfs/dbraw/zinc/61/11/82/584611182.db2.gz QARFTRPXSBMDLF-QWRGUYRKSA-N 2 1 236.363 1.416 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H](C)C1 ZINC000902466571 584613864 /nfs/dbraw/zinc/61/38/64/584613864.db2.gz LZPMZDLMKOMZNI-QSLWVIQJSA-N 2 1 237.391 1.199 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H](C)C1 ZINC000902466567 584614268 /nfs/dbraw/zinc/61/42/68/584614268.db2.gz LZPMZDLMKOMZNI-MBJXGIAVSA-N 2 1 237.391 1.199 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H]2CCC[C@@H]21 ZINC000902469200 584615722 /nfs/dbraw/zinc/61/57/22/584615722.db2.gz YXFWHCNSIRCEOQ-YRKSKIDTSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@H]([NH2+]CC[C@@H](O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000902506257 584621985 /nfs/dbraw/zinc/62/19/85/584621985.db2.gz XSNZBUXUHDPWSE-CYZMBNFOSA-N 2 1 226.364 1.268 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000902488670 584627378 /nfs/dbraw/zinc/62/73/78/584627378.db2.gz ZOAFSPGCDKGIIC-PEDHHIEDSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000902488670 584627380 /nfs/dbraw/zinc/62/73/80/584627380.db2.gz ZOAFSPGCDKGIIC-PEDHHIEDSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000902517116 584630158 /nfs/dbraw/zinc/63/01/58/584630158.db2.gz HDTJPVAZAXGNFE-IGHBBLSQSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902518526 584630979 /nfs/dbraw/zinc/63/09/79/584630979.db2.gz MDLXOWSJUNDWPA-ZBAXXZLZSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098916 584726762 /nfs/dbraw/zinc/72/67/62/584726762.db2.gz VIBAQUSRMGDMQT-WDFAYWTNSA-N 2 1 238.375 1.505 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCC1CCOCC1 ZINC000903439373 584762758 /nfs/dbraw/zinc/76/27/58/584762758.db2.gz HLQQBVHFWFQNFF-OCCSQVGLSA-N 2 1 240.391 1.590 20 0 BDADMP CC[C@@H](C)[N@H+](CC(=O)OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457536 584765000 /nfs/dbraw/zinc/76/50/00/584765000.db2.gz WIYBPXFHELPBQC-UTUOFQBUSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425017 584764898 /nfs/dbraw/zinc/76/48/98/584764898.db2.gz ORIBUMJJWUTFKB-RNJOBUHISA-N 3 1 225.380 1.173 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903444250 584769768 /nfs/dbraw/zinc/76/97/68/584769768.db2.gz QYTHUZANOOOYMO-CRWXNKLISA-N 2 1 239.407 1.528 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903444250 584769769 /nfs/dbraw/zinc/76/97/69/584769769.db2.gz QYTHUZANOOOYMO-CRWXNKLISA-N 3 1 239.407 1.528 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000903444250 584769770 /nfs/dbraw/zinc/76/97/70/584769770.db2.gz QYTHUZANOOOYMO-CRWXNKLISA-N 3 1 239.407 1.528 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1C ZINC000903444250 584769771 /nfs/dbraw/zinc/76/97/71/584769771.db2.gz QYTHUZANOOOYMO-CRWXNKLISA-N 3 1 239.407 1.528 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1C ZINC000903444250 584769772 /nfs/dbraw/zinc/76/97/72/584769772.db2.gz QYTHUZANOOOYMO-CRWXNKLISA-N 3 1 239.407 1.528 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000903447144 584770723 /nfs/dbraw/zinc/77/07/23/584770723.db2.gz GRWVPXZQOJVLNL-QWHCGFSZSA-N 3 1 237.391 1.189 20 0 BDADMP OC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903454006 584772614 /nfs/dbraw/zinc/77/26/14/584772614.db2.gz RBGAMYWWZMUEJY-HNNXBMFYSA-N 2 1 246.354 1.289 20 0 BDADMP COC[C@H](C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(C)C ZINC000903454626 584773394 /nfs/dbraw/zinc/77/33/94/584773394.db2.gz GJFOYKUIKFDXMI-RFQIPJPRSA-N 2 1 242.407 1.881 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000903476079 584776604 /nfs/dbraw/zinc/77/66/04/584776604.db2.gz MTELHJZPJZXFFH-SDDRHHMPSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000903476079 584776605 /nfs/dbraw/zinc/77/66/05/584776605.db2.gz MTELHJZPJZXFFH-SDDRHHMPSA-N 2 1 226.389 1.423 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475819 584777050 /nfs/dbraw/zinc/77/70/50/584777050.db2.gz FADXWBLHPNWVPQ-YIYPIFLZSA-N 2 1 237.391 1.140 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475819 584777051 /nfs/dbraw/zinc/77/70/51/584777051.db2.gz FADXWBLHPNWVPQ-YIYPIFLZSA-N 3 1 237.391 1.140 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475819 584777052 /nfs/dbraw/zinc/77/70/52/584777052.db2.gz FADXWBLHPNWVPQ-YIYPIFLZSA-N 3 1 237.391 1.140 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475819 584777053 /nfs/dbraw/zinc/77/70/53/584777053.db2.gz FADXWBLHPNWVPQ-YIYPIFLZSA-N 3 1 237.391 1.140 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475819 584777054 /nfs/dbraw/zinc/77/70/54/584777054.db2.gz FADXWBLHPNWVPQ-YIYPIFLZSA-N 3 1 237.391 1.140 20 0 BDADMP Cn1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000903481382 584777850 /nfs/dbraw/zinc/77/78/50/584777850.db2.gz AEOVHKAZYCUWNV-CYBMUJFWSA-N 2 1 248.374 1.227 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000903482374 584778481 /nfs/dbraw/zinc/77/84/81/584778481.db2.gz FOWDYOQHBSQKMC-BJJPWKGXSA-N 2 1 239.407 1.562 20 0 BDADMP CC(C)COCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483042 584778815 /nfs/dbraw/zinc/77/88/15/584778815.db2.gz BTFGWYCAABPUBK-CYBMUJFWSA-N 2 1 240.391 1.923 20 0 BDADMP CCO[C@@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CC1 ZINC000903498469 584779757 /nfs/dbraw/zinc/77/97/57/584779757.db2.gz GSAZTZOIXDQNDU-BNOWGMLFSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903498667 584780076 /nfs/dbraw/zinc/78/00/76/584780076.db2.gz AHYNYSQLXJJHBA-MGPQQGTHSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2ccncc2)C[C@H]1CC[NH3+] ZINC000903500211 584780237 /nfs/dbraw/zinc/78/02/37/584780237.db2.gz WIMULGIGOSPOBI-UKRRQHHQSA-N 2 1 247.386 1.931 20 0 BDADMP CC1(C)C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1N ZINC000903557049 584783271 /nfs/dbraw/zinc/78/32/71/584783271.db2.gz LIQIWYDYYQYZQQ-CYBMUJFWSA-N 3 1 239.407 1.435 20 0 BDADMP CC1(C)C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1N ZINC000903557049 584783272 /nfs/dbraw/zinc/78/32/72/584783272.db2.gz LIQIWYDYYQYZQQ-CYBMUJFWSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734384 584796161 /nfs/dbraw/zinc/79/61/61/584796161.db2.gz YSLOXZXBSJIHPV-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903743753 584796911 /nfs/dbraw/zinc/79/69/11/584796911.db2.gz MXUWPXHURJLJCC-PWSUYJOCSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903743753 584796912 /nfs/dbraw/zinc/79/69/12/584796912.db2.gz MXUWPXHURJLJCC-PWSUYJOCSA-N 2 1 240.326 1.022 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903763453 584797600 /nfs/dbraw/zinc/79/76/00/584797600.db2.gz KAHQFSZNWMAPRL-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP OCC[C@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903768684 584797768 /nfs/dbraw/zinc/79/77/68/584797768.db2.gz PABONHHAMZYOOX-ZIAGYGMSSA-N 2 1 240.391 1.613 20 0 BDADMP CC12CC(C1)C[N@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC000903770344 584797775 /nfs/dbraw/zinc/79/77/75/584797775.db2.gz XBRXFZZWRAGZLS-PNESKVBLSA-N 2 1 208.349 1.860 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCOC1CC1 ZINC000903806299 584802703 /nfs/dbraw/zinc/80/27/03/584802703.db2.gz UXDCOWGTYDFFBV-DGCLKSJQSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCOC1CC1 ZINC000903806299 584802704 /nfs/dbraw/zinc/80/27/04/584802704.db2.gz UXDCOWGTYDFFBV-DGCLKSJQSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000903832905 584806130 /nfs/dbraw/zinc/80/61/30/584806130.db2.gz SQAVLGHHVLSWLP-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP COc1ccc([C@@H]2CCC[N@@H+]2CCC[NH3+])nc1 ZINC000903833433 584806257 /nfs/dbraw/zinc/80/62/57/584806257.db2.gz WMGXJQOXEJILDV-ZDUSSCGKSA-N 2 1 235.331 1.576 20 0 BDADMP COc1ccc([C@@H]2CCC[N@H+]2CCC[NH3+])nc1 ZINC000903833433 584806258 /nfs/dbraw/zinc/80/62/58/584806258.db2.gz WMGXJQOXEJILDV-ZDUSSCGKSA-N 2 1 235.331 1.576 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccns1)C2 ZINC000903839275 584807092 /nfs/dbraw/zinc/80/70/92/584807092.db2.gz JMVYSWFBFOWDIX-AEJSXWLSSA-N 2 1 223.345 1.455 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccns1)C2 ZINC000903839275 584807094 /nfs/dbraw/zinc/80/70/94/584807094.db2.gz JMVYSWFBFOWDIX-AEJSXWLSSA-N 2 1 223.345 1.455 20 0 BDADMP NC[C@@]12CC[C@H]1CC[N@H+]2CC1CC=CC1 ZINC000903856622 584809242 /nfs/dbraw/zinc/80/92/42/584809242.db2.gz AOJBSSJUPWXYKE-STQMWFEESA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC1CC=CC1 ZINC000903856622 584809243 /nfs/dbraw/zinc/80/92/43/584809243.db2.gz AOJBSSJUPWXYKE-STQMWFEESA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC1CC=CC1 ZINC000903856622 584809245 /nfs/dbraw/zinc/80/92/45/584809245.db2.gz AOJBSSJUPWXYKE-STQMWFEESA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCCCF ZINC000903858999 584810822 /nfs/dbraw/zinc/81/08/22/584810822.db2.gz KTUKCXXGSAPRFK-NEPJUHHUSA-N 2 1 214.328 1.939 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCCCF ZINC000903858999 584810823 /nfs/dbraw/zinc/81/08/23/584810823.db2.gz KTUKCXXGSAPRFK-NEPJUHHUSA-N 2 1 214.328 1.939 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CCC1 ZINC000903859849 584811210 /nfs/dbraw/zinc/81/12/10/584811210.db2.gz OZQYDALPEKYYTA-MGPQQGTHSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CCC1 ZINC000903859849 584811211 /nfs/dbraw/zinc/81/12/11/584811211.db2.gz OZQYDALPEKYYTA-MGPQQGTHSA-N 2 1 238.375 1.615 20 0 BDADMP CCO[C@H](C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903860029 584811591 /nfs/dbraw/zinc/81/15/91/584811591.db2.gz QASRLUXJVGFWRI-MCIONIFRSA-N 2 1 238.375 1.615 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903860029 584811592 /nfs/dbraw/zinc/81/15/92/584811592.db2.gz QASRLUXJVGFWRI-MCIONIFRSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869958 584814315 /nfs/dbraw/zinc/81/43/15/584814315.db2.gz LCQMXGSLPKSMMY-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000903873073 584815526 /nfs/dbraw/zinc/81/55/26/584815526.db2.gz FHNSCTBQRWMNGL-YHWZYXNKSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCNCC1 ZINC000903873073 584815527 /nfs/dbraw/zinc/81/55/27/584815527.db2.gz FHNSCTBQRWMNGL-YHWZYXNKSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCNCC1 ZINC000903873073 584815530 /nfs/dbraw/zinc/81/55/30/584815530.db2.gz FHNSCTBQRWMNGL-YHWZYXNKSA-N 2 1 237.391 1.201 20 0 BDADMP CCCC[N@H+](CCO)C[C@@H]([NH3+])CC(F)F ZINC000903872038 584815584 /nfs/dbraw/zinc/81/55/84/584815584.db2.gz BQMVGWIZIJKGRM-VIFPVBQESA-N 2 1 224.295 1.063 20 0 BDADMP CCCC[N@@H+](CCO)C[C@@H]([NH3+])CC(F)F ZINC000903872038 584815585 /nfs/dbraw/zinc/81/55/85/584815585.db2.gz BQMVGWIZIJKGRM-VIFPVBQESA-N 2 1 224.295 1.063 20 0 BDADMP CCC[N@@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903877784 584816450 /nfs/dbraw/zinc/81/64/50/584816450.db2.gz QBUQLNMGLZEGRF-UHFFFAOYSA-N 2 1 248.370 1.537 20 0 BDADMP CN(C[C@@H]([NH3+])CC(F)F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000903892909 584818846 /nfs/dbraw/zinc/81/88/46/584818846.db2.gz XZYCQKLZWULGIB-GXSJLCMTSA-N 2 1 247.333 1.137 20 0 BDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1(CO)CC1 ZINC000903904098 584820958 /nfs/dbraw/zinc/82/09/58/584820958.db2.gz PFBGRBFFTTZQFQ-YHWZYXNKSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+](Cc1cc[nH]n1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904396 584820999 /nfs/dbraw/zinc/82/09/99/584820999.db2.gz UEZAQACRHVVZKI-YOGCLGLASA-N 2 1 234.347 1.372 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929776 584824312 /nfs/dbraw/zinc/82/43/12/584824312.db2.gz LHKAIRDPLVGDQL-YHWZYXNKSA-N 2 1 225.380 1.058 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903930071 584824600 /nfs/dbraw/zinc/82/46/00/584824600.db2.gz RFEHMBKFGDDNJM-JALIKCBVSA-N 3 1 249.402 1.345 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000903930071 584824601 /nfs/dbraw/zinc/82/46/01/584824601.db2.gz RFEHMBKFGDDNJM-JALIKCBVSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931996 584824762 /nfs/dbraw/zinc/82/47/62/584824762.db2.gz KXAUTRANNGGSIF-KZWUZSNJSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000903934418 584825687 /nfs/dbraw/zinc/82/56/87/584825687.db2.gz GUPQGTSLGDGGEW-APYLGABCSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000903934419 584825751 /nfs/dbraw/zinc/82/57/51/584825751.db2.gz GUPQGTSLGDGGEW-JWURUJNWSA-N 3 1 237.391 1.247 20 0 BDADMP C(N[C@@]12CCC[C@@H]1[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937135 584826101 /nfs/dbraw/zinc/82/61/01/584826101.db2.gz BYAHIAWSJNVMRW-OLMTUDMXSA-N 2 1 249.402 1.391 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903960036 584827902 /nfs/dbraw/zinc/82/79/02/584827902.db2.gz VMTNCQKIRVBKQZ-HNNXBMFYSA-N 2 1 247.386 1.991 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903954760 584832004 /nfs/dbraw/zinc/83/20/04/584832004.db2.gz UXBGPWINTHLWGE-LOWDOPEQSA-N 2 1 226.364 1.063 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000903955020 584832235 /nfs/dbraw/zinc/83/22/35/584832235.db2.gz YHPZPGZWOQVYFU-GHMZBOCLSA-N 2 1 235.331 1.912 20 0 BDADMP CC[C@@H](C)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974998 584832557 /nfs/dbraw/zinc/83/25/57/584832557.db2.gz YIOSTAOOMYQOFW-CHWSQXEVSA-N 2 1 240.391 1.781 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903979146 584832967 /nfs/dbraw/zinc/83/29/67/584832967.db2.gz WVGCYQNLFOFXJL-DZGCQCFKSA-N 2 1 230.355 1.997 20 0 BDADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903979146 584832969 /nfs/dbraw/zinc/83/29/69/584832969.db2.gz WVGCYQNLFOFXJL-DZGCQCFKSA-N 2 1 230.355 1.997 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963668 584833452 /nfs/dbraw/zinc/83/34/52/584833452.db2.gz FBJQXZDSQOCXQR-YRGRVCCFSA-N 2 1 248.370 1.824 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903964354 584834070 /nfs/dbraw/zinc/83/40/70/584834070.db2.gz NXSYRAZIUFKQAC-OUCADQQQSA-N 2 1 218.344 1.988 20 0 BDADMP COCc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000903968364 584835204 /nfs/dbraw/zinc/83/52/04/584835204.db2.gz UFSITRFQAXDPRP-MNOVXSKESA-N 2 1 238.331 1.371 20 0 BDADMP C[NH2+]CC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904299563 584860781 /nfs/dbraw/zinc/86/07/81/584860781.db2.gz HYQOKWYLNFVUCY-CQSZACIVSA-N 2 1 239.407 1.308 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904300200 584861046 /nfs/dbraw/zinc/86/10/46/584861046.db2.gz YRFITZKYCKYYMQ-SMDDNHRTSA-N 3 1 233.359 1.314 20 0 BDADMP C[C@H]1CN(Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904300200 584861047 /nfs/dbraw/zinc/86/10/47/584861047.db2.gz YRFITZKYCKYYMQ-SMDDNHRTSA-N 2 1 233.359 1.314 20 0 BDADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)C1CCC([NH3+])CC1 ZINC000904300989 584861397 /nfs/dbraw/zinc/86/13/97/584861397.db2.gz DOIRNTXNOJPZTD-UHFFFAOYSA-N 3 1 247.386 1.847 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904307077 584861758 /nfs/dbraw/zinc/86/17/58/584861758.db2.gz KCHZTUKAJROQFC-CQSZACIVSA-N 2 1 242.407 1.861 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNCC23CCCCC3)C1 ZINC000904302426 584861775 /nfs/dbraw/zinc/86/17/75/584861775.db2.gz VZCHQKJQUSVWIY-BETUJISGSA-N 3 1 237.391 1.332 20 0 BDADMP NCC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302800 584862093 /nfs/dbraw/zinc/86/20/93/584862093.db2.gz YUHICZQLULGEMZ-OKILXGFUSA-N 3 1 233.359 1.185 20 0 BDADMP NCC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302800 584862094 /nfs/dbraw/zinc/86/20/94/584862094.db2.gz YUHICZQLULGEMZ-OKILXGFUSA-N 3 1 233.359 1.185 20 0 BDADMP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302800 584862095 /nfs/dbraw/zinc/86/20/95/584862095.db2.gz YUHICZQLULGEMZ-OKILXGFUSA-N 3 1 233.359 1.185 20 0 BDADMP [NH3+]CC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302800 584862096 /nfs/dbraw/zinc/86/20/96/584862096.db2.gz YUHICZQLULGEMZ-OKILXGFUSA-N 3 1 233.359 1.185 20 0 BDADMP CC(C)[NH2+]C1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904315943 584862349 /nfs/dbraw/zinc/86/23/49/584862349.db2.gz GQQIJJBYYWNXSU-TXEJJXNPSA-N 2 1 225.380 1.186 20 0 BDADMP CCO[C@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904322628 584864717 /nfs/dbraw/zinc/86/47/17/584864717.db2.gz FVVVYMBZSRIPAB-RNJOBUHISA-N 2 1 240.391 1.859 20 0 BDADMP Cn1cc(C[C@@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cn1 ZINC000904326353 584865230 /nfs/dbraw/zinc/86/52/30/584865230.db2.gz HLIJQCLOTUKSIP-SGMGOOAPSA-N 2 1 248.374 1.022 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328240 584865240 /nfs/dbraw/zinc/86/52/40/584865240.db2.gz BSFIKTOZJSTUDJ-MELADBBJSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904331755 584866119 /nfs/dbraw/zinc/86/61/19/584866119.db2.gz LHPOSULYCINRKK-YNEHKIRRSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904331755 584866120 /nfs/dbraw/zinc/86/61/20/584866120.db2.gz LHPOSULYCINRKK-YNEHKIRRSA-N 2 1 242.407 1.843 20 0 BDADMP N[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000904334297 584866341 /nfs/dbraw/zinc/86/63/41/584866341.db2.gz RSKOKJNZORFMIG-PMOUVXMZSA-N 2 1 245.370 1.150 20 0 BDADMP [NH3+][C@H]1C[C@@H](CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000904334297 584866342 /nfs/dbraw/zinc/86/63/42/584866342.db2.gz RSKOKJNZORFMIG-PMOUVXMZSA-N 2 1 245.370 1.150 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000904334297 584866343 /nfs/dbraw/zinc/86/63/43/584866343.db2.gz RSKOKJNZORFMIG-PMOUVXMZSA-N 3 1 245.370 1.150 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000904334297 584866344 /nfs/dbraw/zinc/86/63/44/584866344.db2.gz RSKOKJNZORFMIG-PMOUVXMZSA-N 3 1 245.370 1.150 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334435 584866458 /nfs/dbraw/zinc/86/64/58/584866458.db2.gz WBDWGZHTTCGEIF-KGLIPLIRSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@H](O)C[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904335601 584866890 /nfs/dbraw/zinc/86/68/90/584866890.db2.gz GUVVMJINBJSBOC-WDEREUQCSA-N 2 1 216.369 1.453 20 0 BDADMP C[C@H](O)C[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904335601 584866891 /nfs/dbraw/zinc/86/68/91/584866891.db2.gz GUVVMJINBJSBOC-WDEREUQCSA-N 2 1 216.369 1.453 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334436 584866921 /nfs/dbraw/zinc/86/69/21/584866921.db2.gz WBDWGZHTTCGEIF-UONOGXRCSA-N 3 1 239.407 1.437 20 0 BDADMP Cc1ccncc1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341969 584867461 /nfs/dbraw/zinc/86/74/61/584867461.db2.gz SMONMZPLKSFWGT-BJHJDKERSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)[C@@H]1CO ZINC000904341775 584867547 /nfs/dbraw/zinc/86/75/47/584867547.db2.gz VUXOFVRSZGRCBV-FRRDWIJNSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)[C@@H]1CO ZINC000904341775 584867548 /nfs/dbraw/zinc/86/75/48/584867548.db2.gz VUXOFVRSZGRCBV-FRRDWIJNSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@H+](CCc1cnccn1)C[C@]1(C)CCC[NH2+]C1 ZINC000904344150 584867872 /nfs/dbraw/zinc/86/78/72/584867872.db2.gz ZVYFMQPFEWYIID-CQSZACIVSA-N 2 1 248.374 1.341 20 0 BDADMP C[N@@H+](CCc1cnccn1)C[C@]1(C)CCC[NH2+]C1 ZINC000904344150 584867874 /nfs/dbraw/zinc/86/78/74/584867874.db2.gz ZVYFMQPFEWYIID-CQSZACIVSA-N 2 1 248.374 1.341 20 0 BDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343292 584867952 /nfs/dbraw/zinc/86/79/52/584867952.db2.gz SGMGBUMQYNNNIC-KVSVUVNWSA-N 2 1 226.364 1.205 20 0 BDADMP Cn1ccnc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904345171 584868002 /nfs/dbraw/zinc/86/80/02/584868002.db2.gz DVPWAGILHMKISH-UPJWGTAASA-N 2 1 248.374 1.337 20 0 BDADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1O ZINC000904345274 584868464 /nfs/dbraw/zinc/86/84/64/584868464.db2.gz BXLGNHCSDRRPFW-YVECIDJPSA-N 2 1 240.391 1.453 20 0 BDADMP C[C@]1(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351177 584869380 /nfs/dbraw/zinc/86/93/80/584869380.db2.gz VUXZOOKJBLVNON-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351177 584869382 /nfs/dbraw/zinc/86/93/82/584869382.db2.gz VUXZOOKJBLVNON-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000904358713 584872370 /nfs/dbraw/zinc/87/23/70/584872370.db2.gz ROBZAOMWFHWDME-MQYQWHSLSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000904373586 584873806 /nfs/dbraw/zinc/87/38/06/584873806.db2.gz FWXDQWLWZAOYJF-ZIAGYGMSSA-N 3 1 233.359 1.505 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000904375461 584875678 /nfs/dbraw/zinc/87/56/78/584875678.db2.gz ARROUIZTBJLTOK-KXUCPTDWSA-N 2 1 216.275 1.455 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2ccc(N)nn2)[C@H]1CC[NH3+] ZINC000904376924 584875925 /nfs/dbraw/zinc/87/59/25/584875925.db2.gz ZBSZQGAZYFCWLA-PWSUYJOCSA-N 2 1 249.362 1.008 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(N)nn2)[C@H]1CC[NH3+] ZINC000904376924 584875927 /nfs/dbraw/zinc/87/59/27/584875927.db2.gz ZBSZQGAZYFCWLA-PWSUYJOCSA-N 2 1 249.362 1.008 20 0 BDADMP Nc1ccc2c(c1)C[N@@H+](C1CC(C[NH3+])C1)CCO2 ZINC000904385695 584877635 /nfs/dbraw/zinc/87/76/35/584877635.db2.gz BTNARFGOXPLCBW-UHFFFAOYSA-N 2 1 247.342 1.201 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000904406709 584878342 /nfs/dbraw/zinc/87/83/42/584878342.db2.gz UVQAVZKYCACSIF-MELADBBJSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407111 584878927 /nfs/dbraw/zinc/87/89/27/584878927.db2.gz NJGQMKMVVWFLDN-RYUDHWBXSA-N 3 1 213.369 1.031 20 0 BDADMP CC(C)C[C@H](N)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407111 584878929 /nfs/dbraw/zinc/87/89/29/584878929.db2.gz NJGQMKMVVWFLDN-RYUDHWBXSA-N 2 1 213.369 1.031 20 0 BDADMP C[C@@H]([NH3+])CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000877102262 584890000 /nfs/dbraw/zinc/89/00/00/584890000.db2.gz CZLRDPQZTMZBRK-YPMHNXCESA-N 2 1 249.358 1.095 20 0 BDADMP Cc1noc(C)c1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000842471556 584897664 /nfs/dbraw/zinc/89/76/64/584897664.db2.gz ISJZWZVIHGLQND-GFCCVEGCSA-N 2 1 237.347 1.723 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@H](OC)C2)C1 ZINC000821386128 585016174 /nfs/dbraw/zinc/01/61/74/585016174.db2.gz IWWLWPDNHFTZCL-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](OC)C2)C1 ZINC000821386128 585016175 /nfs/dbraw/zinc/01/61/75/585016175.db2.gz IWWLWPDNHFTZCL-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@H](OC)C2)C1 ZINC000821386128 585016176 /nfs/dbraw/zinc/01/61/76/585016176.db2.gz IWWLWPDNHFTZCL-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)C3CC3)C2)C1 ZINC000839026054 585088031 /nfs/dbraw/zinc/08/80/31/585088031.db2.gz RNXXNXFRSPEMBB-ZIAGYGMSSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)C3CC3)C2)C1 ZINC000839026054 585088032 /nfs/dbraw/zinc/08/80/32/585088032.db2.gz RNXXNXFRSPEMBB-ZIAGYGMSSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)C3CC3)C2)C1 ZINC000839026054 585088033 /nfs/dbraw/zinc/08/80/33/585088033.db2.gz RNXXNXFRSPEMBB-ZIAGYGMSSA-N 2 1 238.375 1.175 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000886838393 585182370 /nfs/dbraw/zinc/18/23/70/585182370.db2.gz WTLODZFEVIKEBD-XJFOESAGSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000886838393 585182371 /nfs/dbraw/zinc/18/23/71/585182371.db2.gz WTLODZFEVIKEBD-XJFOESAGSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000886839880 585182645 /nfs/dbraw/zinc/18/26/45/585182645.db2.gz NUPVOKMCQLWAGR-IGQOVBAYSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000886839880 585182646 /nfs/dbraw/zinc/18/26/46/585182646.db2.gz NUPVOKMCQLWAGR-IGQOVBAYSA-N 2 1 236.359 1.097 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000749146064 585199988 /nfs/dbraw/zinc/19/99/88/585199988.db2.gz CVPMSDDUGXHPQQ-LLVKDONJSA-N 2 1 249.362 1.145 20 0 BDADMP C[C@@H]1C[C@H](N(C)CC[NH+]2CCCC2)CC[N@H+]1C ZINC000760842861 585399042 /nfs/dbraw/zinc/39/90/42/585399042.db2.gz KTCZTQBGVMOYCD-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CC[NH+]2CCCC2)C[C@H]1C ZINC000766254403 585499424 /nfs/dbraw/zinc/49/94/24/585499424.db2.gz QAAQCXOZTDBHST-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000766271877 585500367 /nfs/dbraw/zinc/50/03/67/585500367.db2.gz GTDXRIDGWBNNEH-MJBXVCDLSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1CCC[NH+]1CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000766271877 585500368 /nfs/dbraw/zinc/50/03/68/585500368.db2.gz GTDXRIDGWBNNEH-MJBXVCDLSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1C[C@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000770460188 585574381 /nfs/dbraw/zinc/57/43/81/585574381.db2.gz DADVOKGFGBNZNO-WDEREUQCSA-N 2 1 249.362 1.437 20 0 BDADMP C[C@H]1C[C@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@H+]1C ZINC000770460188 585574382 /nfs/dbraw/zinc/57/43/82/585574382.db2.gz DADVOKGFGBNZNO-WDEREUQCSA-N 2 1 249.362 1.437 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000779344355 585752076 /nfs/dbraw/zinc/75/20/76/585752076.db2.gz XFQWRQNPGJLHFN-JHJVBQTASA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000779344355 585752077 /nfs/dbraw/zinc/75/20/77/585752077.db2.gz XFQWRQNPGJLHFN-JHJVBQTASA-N 2 1 228.380 1.610 20 0 BDADMP C[Si](C)(C)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000788005343 585918576 /nfs/dbraw/zinc/91/85/76/585918576.db2.gz XEZIFXSMKRONKX-UHFFFAOYSA-N 2 1 238.411 1.409 20 0 BDADMP COCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000788327074 585921979 /nfs/dbraw/zinc/92/19/79/585921979.db2.gz LDGJLYIRNDJBSE-GFCCVEGCSA-N 2 1 235.331 1.239 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)n(C)n1 ZINC000793523836 586021553 /nfs/dbraw/zinc/02/15/53/586021553.db2.gz FHFJGQDUQJUWTO-NSHDSACASA-N 2 1 247.346 1.584 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000798181765 586138616 /nfs/dbraw/zinc/13/86/16/586138616.db2.gz YHTWJCAQFJBMBJ-ZYHUDNBSSA-N 2 1 240.347 1.012 20 0 BDADMP C[NH+]1CCC2(CCC[N@H+](Cc3cocn3)C2)CC1 ZINC000798956683 586154193 /nfs/dbraw/zinc/15/41/93/586154193.db2.gz JURGTPSUJYXLIM-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cocn3)C2)CC1 ZINC000798956683 586154194 /nfs/dbraw/zinc/15/41/94/586154194.db2.gz JURGTPSUJYXLIM-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000806138180 586405244 /nfs/dbraw/zinc/40/52/44/586405244.db2.gz SDUXXGRFPLEDFX-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000806138180 586405245 /nfs/dbraw/zinc/40/52/45/586405245.db2.gz SDUXXGRFPLEDFX-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)n(C)n1 ZINC000813876865 586608470 /nfs/dbraw/zinc/60/84/70/586608470.db2.gz AZOKFWWGWIFFBA-CMPLNLGQSA-N 2 1 238.379 1.577 20 0 BDADMP CC[C@@H]([NH2+]CCOc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000817894083 586833848 /nfs/dbraw/zinc/83/38/48/586833848.db2.gz XWRMYYQHRFDNEO-KGLIPLIRSA-N 2 1 249.358 1.581 20 0 BDADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccsc1 ZINC000817911506 586838311 /nfs/dbraw/zinc/83/83/11/586838311.db2.gz BSZYAMGKZCWWHT-UTUOFQBUSA-N 2 1 240.372 1.425 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912781 586838658 /nfs/dbraw/zinc/83/86/58/586838658.db2.gz IONVZQXFYKGTBY-BFHYXJOUSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@H]1C)c1c[nH+]ccc1N ZINC000817913308 586839229 /nfs/dbraw/zinc/83/92/29/586839229.db2.gz NLNWRHMZOAMETA-VXGBXAGGSA-N 2 1 248.374 1.629 20 0 BDADMP Cc1ncc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000817915555 586839374 /nfs/dbraw/zinc/83/93/74/586839374.db2.gz OBWFBQVISFBTAO-JOYOIKCWSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1c[nH+]ccc1N ZINC000817923937 586841415 /nfs/dbraw/zinc/84/14/15/586841415.db2.gz ITCJKMOPAMRZDE-GHMZBOCLSA-N 2 1 233.315 1.837 20 0 BDADMP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817947612 586847071 /nfs/dbraw/zinc/84/70/71/586847071.db2.gz CBDDFVNZRLWXOC-ZIAGYGMSSA-N 3 1 233.359 1.157 20 0 BDADMP C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948177 586847282 /nfs/dbraw/zinc/84/72/82/586847282.db2.gz FWGLAOFPBODLAZ-WFASDCNBSA-N 2 1 247.386 1.275 20 0 BDADMP C(C[NH2+]C1CCC2(CC1)OCCO2)[NH2+]C1CC1 ZINC000817953566 586848846 /nfs/dbraw/zinc/84/88/46/586848846.db2.gz OLHJEWRLNUPGHL-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccnc1Cl ZINC000817962215 586852755 /nfs/dbraw/zinc/85/27/55/586852755.db2.gz JFYIYTYKKOWOCE-BDAKNGLRSA-N 2 1 227.739 1.980 20 0 BDADMP [NH3+]CCc1ccc(CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000841032964 587937203 /nfs/dbraw/zinc/93/72/03/587937203.db2.gz HYURHMPHWYWUJL-HNNXBMFYSA-N 2 1 247.386 1.420 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000841042188 587938370 /nfs/dbraw/zinc/93/83/70/587938370.db2.gz MJVKXIYEPMVROD-UHFFFAOYSA-N 2 1 227.739 1.743 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H](O)c1ccsc1 ZINC000841095860 587946378 /nfs/dbraw/zinc/94/63/78/587946378.db2.gz PKGZSNHVEPKTLT-NEPJUHHUSA-N 2 1 242.388 1.745 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105754 587946801 /nfs/dbraw/zinc/94/68/01/587946801.db2.gz VKBPGSYCUYMTQG-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105754 587946803 /nfs/dbraw/zinc/94/68/03/587946803.db2.gz VKBPGSYCUYMTQG-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842477324 588029606 /nfs/dbraw/zinc/02/96/06/588029606.db2.gz PJTIHKYKRYFQAM-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842477324 588029607 /nfs/dbraw/zinc/02/96/07/588029607.db2.gz PJTIHKYKRYFQAM-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843054832 588077794 /nfs/dbraw/zinc/07/77/94/588077794.db2.gz JSMRNBFNQBJVLZ-MRFVTOPCSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000843126181 588082128 /nfs/dbraw/zinc/08/21/28/588082128.db2.gz NVKPLBNDMRXQGQ-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP c1ccc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113927 588082167 /nfs/dbraw/zinc/08/21/67/588082167.db2.gz BOCOUEUZNCGUQY-ZIAGYGMSSA-N 2 1 245.370 1.871 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343657 588101436 /nfs/dbraw/zinc/10/14/36/588101436.db2.gz BUVJLDHPQDCFQB-QWHCGFSZSA-N 2 1 227.396 1.755 20 0 BDADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000843351557 588102677 /nfs/dbraw/zinc/10/26/77/588102677.db2.gz OSQSGKFTIODJKS-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP CC1(C)CNCC[N@H+]1CCCCCCC[NH3+] ZINC000843352767 588103226 /nfs/dbraw/zinc/10/32/26/588103226.db2.gz UPXXZCUBFCROON-UHFFFAOYSA-N 2 1 227.396 1.579 20 0 BDADMP CC1(C)C[NH2+]CCN1CCCCCCC[NH3+] ZINC000843352767 588103227 /nfs/dbraw/zinc/10/32/27/588103227.db2.gz UPXXZCUBFCROON-UHFFFAOYSA-N 2 1 227.396 1.579 20 0 BDADMP C[C@@](C[NH3+])([NH2+]Cc1ccc2c(c1)COC2)C1CC1 ZINC000843355852 588103284 /nfs/dbraw/zinc/10/32/84/588103284.db2.gz KVLMBFIVKUPXPC-HNNXBMFYSA-N 2 1 246.354 1.934 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843353065 588103448 /nfs/dbraw/zinc/10/34/48/588103448.db2.gz APVGWOHUMJFUOL-KGLIPLIRSA-N 3 1 241.423 1.955 20 0 BDADMP Cc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000843358765 588103555 /nfs/dbraw/zinc/10/35/55/588103555.db2.gz ZGGOZBZPZIIKJF-CYBMUJFWSA-N 2 1 230.355 1.963 20 0 BDADMP Cc1cc([C@@H]2CCC[N@@H+]2CCOCC[NH3+])no1 ZINC000843356987 588103756 /nfs/dbraw/zinc/10/37/56/588103756.db2.gz LYHFNYWXMBWZRN-LBPRGKRZSA-N 2 1 239.319 1.095 20 0 BDADMP Cc1cc([C@@H]2CCC[N@H+]2CCOCC[NH3+])no1 ZINC000843356987 588103757 /nfs/dbraw/zinc/10/37/57/588103757.db2.gz LYHFNYWXMBWZRN-LBPRGKRZSA-N 2 1 239.319 1.095 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846216096 588260542 /nfs/dbraw/zinc/26/05/42/588260542.db2.gz PKLFURDOLLNKRR-QWHCGFSZSA-N 3 1 227.396 1.707 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCCN1CCCCCC[NH3+] ZINC000846216096 588260543 /nfs/dbraw/zinc/26/05/43/588260543.db2.gz PKLFURDOLLNKRR-QWHCGFSZSA-N 3 1 227.396 1.707 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])[C@@H]1CC[NH3+] ZINC000846226407 588261751 /nfs/dbraw/zinc/26/17/51/588261751.db2.gz MPPFAZFWFACWSP-ZIAGYGMSSA-N 2 1 241.423 1.955 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000846708870 588283749 /nfs/dbraw/zinc/28/37/49/588283749.db2.gz WZPFNJWLLMWWBE-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCO)C1CC1 ZINC000846855349 588293563 /nfs/dbraw/zinc/29/35/63/588293563.db2.gz VXAZRPASTOKMHV-CYBMUJFWSA-N 2 1 237.347 1.103 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])NC1CCC1 ZINC000848987681 588426022 /nfs/dbraw/zinc/42/60/22/588426022.db2.gz PYPZCBDXTGGRJT-UHFFFAOYSA-N 2 1 235.335 1.248 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NC1CC1 ZINC000848987758 588426042 /nfs/dbraw/zinc/42/60/42/588426042.db2.gz YNBLVNYSKNMUDY-JTQLQIEISA-N 2 1 224.352 1.137 20 0 BDADMP CCCCCCNC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996709 588429470 /nfs/dbraw/zinc/42/94/70/588429470.db2.gz TVBGEAWEMQXMEK-NSHDSACASA-N 2 1 228.384 1.631 20 0 BDADMP Cc1[nH+]ccn1CCNC(=[NH2+])NCCC(C)C ZINC000849000162 588430432 /nfs/dbraw/zinc/43/04/32/588430432.db2.gz RTGZJLLNSHXHKE-UHFFFAOYSA-N 2 1 237.351 1.352 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849000904 588431019 /nfs/dbraw/zinc/43/10/19/588431019.db2.gz CUORYJFEDKZENC-JTQLQIEISA-N 2 1 226.368 1.383 20 0 BDADMP CC(C)CNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004171 588431558 /nfs/dbraw/zinc/43/15/58/588431558.db2.gz DMGNTTDKVOOLON-NSHDSACASA-N 2 1 226.368 1.098 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1CC ZINC000849005993 588432724 /nfs/dbraw/zinc/43/27/24/588432724.db2.gz JLJQHRHXPLZBGF-RYUDHWBXSA-N 2 1 240.395 1.773 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039863 588447337 /nfs/dbraw/zinc/44/73/37/588447337.db2.gz VELFQOLJXJOLRA-NSHDSACASA-N 2 1 240.395 1.773 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N(C)C ZINC000849046420 588450380 /nfs/dbraw/zinc/45/03/80/588450380.db2.gz GESMVGPJYXIFGM-UHFFFAOYSA-N 2 1 214.357 1.050 20 0 BDADMP Fc1cccc(C[NH2+]Cc2cnc3n2CCC3)n1 ZINC000850221599 588530333 /nfs/dbraw/zinc/53/03/33/588530333.db2.gz MFGLGWMCYHWGHL-UHFFFAOYSA-N 2 1 246.289 1.653 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850538886 588558589 /nfs/dbraw/zinc/55/85/89/588558589.db2.gz NSZBHXSOVCJYJW-CHWSQXEVSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850538886 588558591 /nfs/dbraw/zinc/55/85/91/588558591.db2.gz NSZBHXSOVCJYJW-CHWSQXEVSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOC(F)F)CC[C@H]21 ZINC000851812475 588632748 /nfs/dbraw/zinc/63/27/48/588632748.db2.gz GTWORKPCLUSRMU-WDEREUQCSA-N 2 1 248.317 1.642 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOC(F)F)CC[C@H]21 ZINC000851812475 588632749 /nfs/dbraw/zinc/63/27/49/588632749.db2.gz GTWORKPCLUSRMU-WDEREUQCSA-N 2 1 248.317 1.642 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOC(F)F)CC[C@H]21 ZINC000851812475 588632750 /nfs/dbraw/zinc/63/27/50/588632750.db2.gz GTWORKPCLUSRMU-WDEREUQCSA-N 2 1 248.317 1.642 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOC(F)F)CC[C@H]21 ZINC000851812475 588632751 /nfs/dbraw/zinc/63/27/51/588632751.db2.gz GTWORKPCLUSRMU-WDEREUQCSA-N 2 1 248.317 1.642 20 0 BDADMP Cc1cncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000863542911 589297064 /nfs/dbraw/zinc/29/70/64/589297064.db2.gz UIONVEPICDNLEI-UHFFFAOYSA-N 2 1 245.370 1.966 20 0 BDADMP C1=C(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)COCC1 ZINC000863641810 589306308 /nfs/dbraw/zinc/30/63/08/589306308.db2.gz KUCYPUMULTVABQ-CQSZACIVSA-N 2 1 236.359 1.409 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+](C)CCOCC[NH3+])CCO1 ZINC000863652172 589307558 /nfs/dbraw/zinc/30/75/58/589307558.db2.gz PGKHRXOXIOEBCX-CHWSQXEVSA-N 2 1 244.379 1.099 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])NCCC1CC1 ZINC000864454428 589366667 /nfs/dbraw/zinc/36/66/67/589366667.db2.gz WYVXTIKZRVQVSL-UHFFFAOYSA-N 2 1 249.362 1.496 20 0 BDADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864460749 589368782 /nfs/dbraw/zinc/36/87/82/589368782.db2.gz JLTSQXMXHUNLFV-JQWIXIFHSA-N 2 1 249.362 1.494 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCC1CC1)C2 ZINC000866668684 589510100 /nfs/dbraw/zinc/51/01/00/589510100.db2.gz ICXIQMNESWLGRH-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP C[C@H]1C[C@@H](N)C[N@H+]1CCCCCCC[NH3+] ZINC000866681986 589511495 /nfs/dbraw/zinc/51/14/95/589511495.db2.gz DPCFOBIZOTYPAW-NWDGAFQWSA-N 2 1 213.369 1.317 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCCCC[NH3+] ZINC000866681986 589511496 /nfs/dbraw/zinc/51/14/96/589511496.db2.gz DPCFOBIZOTYPAW-NWDGAFQWSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCCCCC[NH3+] ZINC000866681986 589511498 /nfs/dbraw/zinc/51/14/98/589511498.db2.gz DPCFOBIZOTYPAW-NWDGAFQWSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CN1CCCCCCC[NH3+] ZINC000866681986 589511499 /nfs/dbraw/zinc/51/14/99/589511499.db2.gz DPCFOBIZOTYPAW-NWDGAFQWSA-N 2 1 213.369 1.317 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704477 589513190 /nfs/dbraw/zinc/51/31/90/589513190.db2.gz VQLDGESQWHWNFG-MCIONIFRSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704477 589513192 /nfs/dbraw/zinc/51/31/92/589513192.db2.gz VQLDGESQWHWNFG-MCIONIFRSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704477 589513194 /nfs/dbraw/zinc/51/31/94/589513194.db2.gz VQLDGESQWHWNFG-MCIONIFRSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704477 589513195 /nfs/dbraw/zinc/51/31/95/589513195.db2.gz VQLDGESQWHWNFG-MCIONIFRSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866704477 589513197 /nfs/dbraw/zinc/51/31/97/589513197.db2.gz VQLDGESQWHWNFG-MCIONIFRSA-N 3 1 237.391 1.012 20 0 BDADMP C(C[N@H+]1CC[C@H]2CSC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000866702847 589513329 /nfs/dbraw/zinc/51/33/29/589513329.db2.gz CCBWDFKHMXSPCN-AGIUHOORSA-N 2 1 240.416 1.671 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000866704829 589514681 /nfs/dbraw/zinc/51/46/81/589514681.db2.gz YDWNLQJVDPRDTA-MCIONIFRSA-N 2 1 237.391 1.012 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725301 589516412 /nfs/dbraw/zinc/51/64/12/589516412.db2.gz RWQXDGSBXRVNSL-CHWSQXEVSA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725301 589516413 /nfs/dbraw/zinc/51/64/13/589516413.db2.gz RWQXDGSBXRVNSL-CHWSQXEVSA-N 3 1 225.380 1.332 20 0 BDADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000866727578 589516742 /nfs/dbraw/zinc/51/67/42/589516742.db2.gz OWXGKDHIQNNKDY-CPIKKWJDSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CCC[NH3+] ZINC000870979785 589704732 /nfs/dbraw/zinc/70/47/32/589704732.db2.gz RXCYDDDHDCBBAT-CYBMUJFWSA-N 2 1 247.342 1.028 20 0 BDADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CCC[NH3+] ZINC000870979785 589704733 /nfs/dbraw/zinc/70/47/33/589704733.db2.gz RXCYDDDHDCBBAT-CYBMUJFWSA-N 2 1 247.342 1.028 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@](C)(C[NH3+])C2CC2)C1 ZINC000872141476 589882547 /nfs/dbraw/zinc/88/25/47/589882547.db2.gz IMARZAIOAVBUQG-ADEWGFFLSA-N 2 1 212.337 1.128 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000872141322 589881900 /nfs/dbraw/zinc/88/19/00/589881900.db2.gz FGNXFJAEWQQCEX-JHJVBQTASA-N 2 1 238.375 1.615 20 0 BDADMP CCN(C)C(=O)CC[N@@H+](C)CCCCCC[NH3+] ZINC000872155834 589885685 /nfs/dbraw/zinc/88/56/85/589885685.db2.gz XPIYWMMKGKOSAJ-UHFFFAOYSA-N 2 1 243.395 1.306 20 0 BDADMP NCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157552 589886004 /nfs/dbraw/zinc/88/60/04/589886004.db2.gz PPCXTHRXTKRYHE-GXTWGEPZSA-N 2 1 239.407 1.565 20 0 BDADMP NCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157552 589886005 /nfs/dbraw/zinc/88/60/05/589886005.db2.gz PPCXTHRXTKRYHE-GXTWGEPZSA-N 2 1 239.407 1.565 20 0 BDADMP CCCNc1cc(N[C@H](C)[C@H](C)[NH3+])nc[nH+]1 ZINC000872776442 589967492 /nfs/dbraw/zinc/96/74/92/589967492.db2.gz JSEKFEIKIHPWDN-DTWKUNHWSA-N 2 1 223.324 1.446 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000873210403 589994820 /nfs/dbraw/zinc/99/48/20/589994820.db2.gz FDZCYRNWVCAMER-ZDUSSCGKSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000873218971 589998653 /nfs/dbraw/zinc/99/86/53/589998653.db2.gz BHRRUNHBZLMNET-RDBSUJKOSA-N 2 1 239.407 1.386 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCOC1 ZINC000873234561 590004038 /nfs/dbraw/zinc/00/40/38/590004038.db2.gz GNTUYUOADFEBQQ-XQQFMLRXSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCOC1 ZINC000873234557 590004406 /nfs/dbraw/zinc/00/44/06/590004406.db2.gz GNTUYUOADFEBQQ-AVGNSLFASA-N 2 1 240.391 1.779 20 0 BDADMP N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccccc21 ZINC000873249862 590007747 /nfs/dbraw/zinc/00/77/47/590007747.db2.gz NEVDETIFTZAXLQ-DJBIQUGXSA-N 2 1 231.343 1.458 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000873254221 590009902 /nfs/dbraw/zinc/00/99/02/590009902.db2.gz NUTDJRLHINSUDI-RVMXOQNASA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000873254221 590009905 /nfs/dbraw/zinc/00/99/05/590009905.db2.gz NUTDJRLHINSUDI-RVMXOQNASA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000873272824 590017003 /nfs/dbraw/zinc/01/70/03/590017003.db2.gz WSBIRQRPRJLIOZ-SCRDCRAPSA-N 2 1 239.407 1.495 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000873281393 590019002 /nfs/dbraw/zinc/01/90/02/590019002.db2.gz IKGCGBPTRGZHCF-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)C1C[NH2+]C1 ZINC000873283588 590019556 /nfs/dbraw/zinc/01/95/56/590019556.db2.gz XGTHTRCUJSTAIS-QMMMGPOBSA-N 2 1 247.298 1.231 20 0 BDADMP COCC(C)(C)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000873283024 590019772 /nfs/dbraw/zinc/01/97/72/590019772.db2.gz YEDZSYQYVGDKJW-NEPJUHHUSA-N 2 1 228.380 1.637 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000873296298 590023916 /nfs/dbraw/zinc/02/39/16/590023916.db2.gz WXCKBBXEHNFILH-QXEWZRGKSA-N 2 1 222.336 1.561 20 0 BDADMP Cc1cc(C)cc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000876818191 590245994 /nfs/dbraw/zinc/24/59/94/590245994.db2.gz REVRODDNIPBYQI-IYBDPMFKSA-N 2 1 244.382 1.997 20 0 BDADMP COCC[N@@H+](CC1CC1)CC1CC[NH+](C)CC1 ZINC000877665311 590388676 /nfs/dbraw/zinc/38/86/76/590388676.db2.gz QKGYIFSRRTWLMJ-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C1CC1 ZINC000877741387 590409699 /nfs/dbraw/zinc/40/96/99/590409699.db2.gz VLNLIRDDHFYOLF-MGPQQGTHSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1CC1 ZINC000877741387 590409701 /nfs/dbraw/zinc/40/97/01/590409701.db2.gz VLNLIRDDHFYOLF-MGPQQGTHSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C1CC1 ZINC000877741387 590409704 /nfs/dbraw/zinc/40/97/04/590409704.db2.gz VLNLIRDDHFYOLF-MGPQQGTHSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000878162263 590511508 /nfs/dbraw/zinc/51/15/08/590511508.db2.gz CQCPQFCDAJBIKO-XDQVBPFNSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000878162263 590511510 /nfs/dbraw/zinc/51/15/10/590511510.db2.gz CQCPQFCDAJBIKO-XDQVBPFNSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000878162263 590511511 /nfs/dbraw/zinc/51/15/11/590511511.db2.gz CQCPQFCDAJBIKO-XDQVBPFNSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000878162263 590511513 /nfs/dbraw/zinc/51/15/13/590511513.db2.gz CQCPQFCDAJBIKO-XDQVBPFNSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000878162263 590511515 /nfs/dbraw/zinc/51/15/15/590511515.db2.gz CQCPQFCDAJBIKO-XDQVBPFNSA-N 2 1 240.391 1.826 20 0 BDADMP CSCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571499 590811648 /nfs/dbraw/zinc/81/16/48/590811648.db2.gz AQWYGJQKVLUGSV-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571499 590811650 /nfs/dbraw/zinc/81/16/50/590811650.db2.gz AQWYGJQKVLUGSV-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571499 590811653 /nfs/dbraw/zinc/81/16/53/590811653.db2.gz AQWYGJQKVLUGSV-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571499 590811656 /nfs/dbraw/zinc/81/16/56/590811656.db2.gz AQWYGJQKVLUGSV-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](C[Si](C)(C)C)CC[C@H]21 ZINC000879573795 590812419 /nfs/dbraw/zinc/81/24/19/590812419.db2.gz RQVHPTOFXJPRHP-NWDGAFQWSA-N 2 1 226.440 1.890 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000879573795 590812421 /nfs/dbraw/zinc/81/24/21/590812421.db2.gz RQVHPTOFXJPRHP-NWDGAFQWSA-N 2 1 226.440 1.890 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000879573795 590812423 /nfs/dbraw/zinc/81/24/23/590812423.db2.gz RQVHPTOFXJPRHP-NWDGAFQWSA-N 2 1 226.440 1.890 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577842 590813141 /nfs/dbraw/zinc/81/31/41/590813141.db2.gz MXWCKGPUVHOSOI-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577842 590813146 /nfs/dbraw/zinc/81/31/46/590813146.db2.gz MXWCKGPUVHOSOI-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577842 590813152 /nfs/dbraw/zinc/81/31/52/590813152.db2.gz MXWCKGPUVHOSOI-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622701 590835753 /nfs/dbraw/zinc/83/57/53/590835753.db2.gz MMWFHKLCYWQFEH-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622701 590835754 /nfs/dbraw/zinc/83/57/54/590835754.db2.gz MMWFHKLCYWQFEH-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148328 590946389 /nfs/dbraw/zinc/94/63/89/590946389.db2.gz VNKYGAGQPGOQMO-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP COC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259709 590980032 /nfs/dbraw/zinc/98/00/32/590980032.db2.gz ZNZWPALFQOLHSA-CHWSQXEVSA-N 2 1 249.358 1.627 20 0 BDADMP CC(C)OCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880470824 591052007 /nfs/dbraw/zinc/05/20/07/591052007.db2.gz NKMQQRREEYZHFQ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H](C)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473476 591053533 /nfs/dbraw/zinc/05/35/33/591053533.db2.gz FOEBCXAHCWNCMM-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000883354094 591625199 /nfs/dbraw/zinc/62/51/99/591625199.db2.gz KOZOXNPXFWJGDI-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC1(F)F)C[C@@H](O)C[NH3+] ZINC000883430108 591661502 /nfs/dbraw/zinc/66/15/02/591661502.db2.gz NHOZWILPWWWEAR-ZJUUUORDSA-N 2 1 236.306 1.063 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000883442056 591669482 /nfs/dbraw/zinc/66/94/82/591669482.db2.gz DFZMXMXYTNGMRV-QWRGUYRKSA-N 2 1 239.750 1.950 20 0 BDADMP [NH3+]CCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000883462357 591673588 /nfs/dbraw/zinc/67/35/88/591673588.db2.gz PFSGWDUKOIMASP-AWEZNQCLSA-N 2 1 245.370 1.820 20 0 BDADMP [NH3+]CCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883462047 591674116 /nfs/dbraw/zinc/67/41/16/591674116.db2.gz IWLZUNSVYCTBDS-CQSZACIVSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000216135745 592011569 /nfs/dbraw/zinc/01/15/69/592011569.db2.gz YGOZISKGQDJMDC-NFXDQBBPSA-N 2 1 202.729 1.798 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000216135745 592011570 /nfs/dbraw/zinc/01/15/70/592011570.db2.gz YGOZISKGQDJMDC-NFXDQBBPSA-N 2 1 202.729 1.798 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217504852 592116697 /nfs/dbraw/zinc/11/66/97/592116697.db2.gz WYORQDPAPJCERW-NEPJUHHUSA-N 2 1 219.332 1.813 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@@H](C)C[NH+](C)C)c1C ZINC000886122505 592158121 /nfs/dbraw/zinc/15/81/21/592158121.db2.gz CJBBPHGNGDOSFV-SECBINFHSA-N 2 1 224.352 1.314 20 0 BDADMP CC(C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219260052 592220607 /nfs/dbraw/zinc/22/06/07/592220607.db2.gz NLNUIYOLEICCJY-GSPSYOTPSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568394 592261645 /nfs/dbraw/zinc/26/16/45/592261645.db2.gz IYRJDOJRICESRI-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568394 592261648 /nfs/dbraw/zinc/26/16/48/592261648.db2.gz IYRJDOJRICESRI-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568394 592261652 /nfs/dbraw/zinc/26/16/52/592261652.db2.gz IYRJDOJRICESRI-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886829433 592350851 /nfs/dbraw/zinc/35/08/51/592350851.db2.gz AFQLXNVJEGFUBQ-RFQIPJPRSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886829433 592350853 /nfs/dbraw/zinc/35/08/53/592350853.db2.gz AFQLXNVJEGFUBQ-RFQIPJPRSA-N 2 1 236.359 1.239 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@]12CCOC2)C1CCC([NH3+])CC1 ZINC000886830391 592352787 /nfs/dbraw/zinc/35/27/87/592352787.db2.gz QFBKWXLPOSZXPL-BLYZHGLHSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1C[C@]12CCOC2 ZINC000886841554 592362361 /nfs/dbraw/zinc/36/23/61/592362361.db2.gz OTPWDPAZWAQENS-KGLIPLIRSA-N 2 1 240.391 1.864 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NCC1CC1 ZINC000887348751 592484735 /nfs/dbraw/zinc/48/47/35/592484735.db2.gz VRJSMVOPWFHQCV-UHFFFAOYSA-N 2 1 226.368 1.241 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC1CC1 ZINC000887354073 592487059 /nfs/dbraw/zinc/48/70/59/592487059.db2.gz ONCFDYDKWIFABW-GFCCVEGCSA-N 2 1 238.379 1.385 20 0 BDADMP C[C@H](C[NH3+])n1cc(C[NH+]2CCC(C)CC2)nn1 ZINC000887417733 592503665 /nfs/dbraw/zinc/50/36/65/592503665.db2.gz XESAOLHJYPMUBL-LLVKDONJSA-N 2 1 237.351 1.030 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000300334355 592507091 /nfs/dbraw/zinc/50/70/91/592507091.db2.gz HZCTXNOLPAMVSO-CHWSQXEVSA-N 2 1 228.380 1.456 20 0 BDADMP CSC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001258327835 991252961 /nfs/dbraw/zinc/25/29/61/991252961.db2.gz QRNONVBTPZKJQQ-DJLDLDEBSA-N 2 1 202.367 1.596 20 0 BDADMP CC1(C)C[C@@H]([NH2+]CCC[NH2+]C2CC2)C[C@@H]([NH3+])C1 ZINC000925706609 634391477 /nfs/dbraw/zinc/39/14/77/634391477.db2.gz NJNQHBRVRMBSFT-YPMHNXCESA-N 3 1 239.407 1.624 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000299996640 634404002 /nfs/dbraw/zinc/40/40/02/634404002.db2.gz RVXLTDWZUZCOTI-FVCCEPFGSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925714236 634423329 /nfs/dbraw/zinc/42/33/29/634423329.db2.gz XOXBSGPKSCNMKB-KQSJRHEJSA-N 2 1 210.321 1.036 20 0 BDADMP CC1(C)COC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000313096410 634450221 /nfs/dbraw/zinc/45/02/21/634450221.db2.gz DMZUZSAUKGHKKA-YPMHNXCESA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000257750967 634492692 /nfs/dbraw/zinc/49/26/92/634492692.db2.gz UVSBBTGEYYVIHD-NEPJUHHUSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000925726364 634517692 /nfs/dbraw/zinc/51/76/92/634517692.db2.gz RWTRWCBTADBTLP-WGSKYGEUSA-N 2 1 236.359 1.140 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000925726362 634518691 /nfs/dbraw/zinc/51/86/91/634518691.db2.gz RWTRWCBTADBTLP-CLSQCYNNSA-N 2 1 236.359 1.140 20 0 BDADMP Nc1cc[nH+]c2c1C[N@H+](CCCCCCO)CC2 ZINC000931512251 634530013 /nfs/dbraw/zinc/53/00/13/634530013.db2.gz HROVSQCZDJQXRJ-UHFFFAOYSA-N 2 1 249.358 1.575 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](CCCCCCO)CC2 ZINC000931512251 634530018 /nfs/dbraw/zinc/53/00/18/634530018.db2.gz HROVSQCZDJQXRJ-UHFFFAOYSA-N 2 1 249.358 1.575 20 0 BDADMP FC1(F)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000258952174 635228578 /nfs/dbraw/zinc/22/85/78/635228578.db2.gz SJSLAMULDYAXOA-SNVBAGLBSA-N 2 1 218.291 1.717 20 0 BDADMP C[N@@H+](CCOCC1CC1)CC[C@H]1CCC[NH2+]C1 ZINC000094989550 635402551 /nfs/dbraw/zinc/40/25/51/635402551.db2.gz BEJCLCLRAVUKKT-CYBMUJFWSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000925881675 635610705 /nfs/dbraw/zinc/61/07/05/635610705.db2.gz DKSPDDUKLKBKKF-REWJHTLYSA-N 3 1 237.391 1.330 20 0 BDADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000925888387 635614645 /nfs/dbraw/zinc/61/46/45/635614645.db2.gz BRHWVXLRJGLXHA-CABCVRRESA-N 2 1 246.354 1.376 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000308508298 631415725 /nfs/dbraw/zinc/41/57/25/631415725.db2.gz QPIJOYDJERLSTM-DTWKUNHWSA-N 2 1 206.280 1.843 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000308508298 631415729 /nfs/dbraw/zinc/41/57/29/631415729.db2.gz QPIJOYDJERLSTM-DTWKUNHWSA-N 2 1 206.280 1.843 20 0 BDADMP CC[C@H](C)NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847880 631544195 /nfs/dbraw/zinc/54/41/95/631544195.db2.gz SNRONESXDVMQKE-UNXYVOJBSA-N 2 1 241.379 1.103 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCO ZINC000308927496 631746749 /nfs/dbraw/zinc/74/67/49/631746749.db2.gz INMFQEUGEJQAMW-NEPJUHHUSA-N 2 1 216.369 1.467 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCO ZINC000308927496 631746752 /nfs/dbraw/zinc/74/67/52/631746752.db2.gz INMFQEUGEJQAMW-NEPJUHHUSA-N 2 1 216.369 1.467 20 0 BDADMP CCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996204 631891241 /nfs/dbraw/zinc/89/12/41/631891241.db2.gz KWQORATULQNAGK-GFCCVEGCSA-N 2 1 240.395 1.631 20 0 BDADMP CCNC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000052041112 632050934 /nfs/dbraw/zinc/05/09/34/632050934.db2.gz ZBTHHMUQMRAMTN-NSHDSACASA-N 2 1 226.368 1.385 20 0 BDADMP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000052043919 632052250 /nfs/dbraw/zinc/05/22/50/632052250.db2.gz WVMYUVUGIFFIDD-NSHDSACASA-N 2 1 226.368 1.098 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000052043286 632053883 /nfs/dbraw/zinc/05/38/83/632053883.db2.gz BRMMYIOLYZFGLD-NSHDSACASA-N 2 1 226.368 1.239 20 0 BDADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000052048213 632055376 /nfs/dbraw/zinc/05/53/76/632055376.db2.gz DYJHMRIXYBSTID-LLVKDONJSA-N 2 1 238.379 1.385 20 0 BDADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000158331176 632465778 /nfs/dbraw/zinc/46/57/78/632465778.db2.gz GUTOBYJOOFHNPS-UHFFFAOYSA-N 2 1 249.358 1.792 20 0 BDADMP C[C@@H]1C[C@H](C[NH+]2CCC(N(C)C)CC2)CC[NH2+]1 ZINC000235367293 632680678 /nfs/dbraw/zinc/68/06/78/632680678.db2.gz NKQKUGNGRXWKKA-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP OCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310552093 632756562 /nfs/dbraw/zinc/75/65/62/632756562.db2.gz GSWKAYWPAUNFHD-OKILXGFUSA-N 2 1 240.391 1.471 20 0 BDADMP Cc1ccc(O)c(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000091996244 632774281 /nfs/dbraw/zinc/77/42/81/632774281.db2.gz DUEBWTJYWNURLV-UHFFFAOYSA-N 2 1 249.358 1.797 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229621679 632982834 /nfs/dbraw/zinc/98/28/34/632982834.db2.gz RSUHEZZYLHZUQD-MJBXVCDLSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122299427 633199790 /nfs/dbraw/zinc/19/97/90/633199790.db2.gz BIPSYPDTMOIWKU-ZIAGYGMSSA-N 2 1 248.370 1.982 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925503080 633828579 /nfs/dbraw/zinc/82/85/79/633828579.db2.gz MWAAJCWIPBRCLT-NEPJUHHUSA-N 3 1 227.396 1.434 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000312045128 633897153 /nfs/dbraw/zinc/89/71/53/633897153.db2.gz ULVTVDFVEJZBQG-GZMMTYOYSA-N 2 1 223.320 1.461 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000312045128 633897156 /nfs/dbraw/zinc/89/71/56/633897156.db2.gz ULVTVDFVEJZBQG-GZMMTYOYSA-N 2 1 223.320 1.461 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000925529296 633919700 /nfs/dbraw/zinc/91/97/00/633919700.db2.gz DWKAGRMEQIXBEA-MBNYWOFBSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925543789 633968788 /nfs/dbraw/zinc/96/87/88/633968788.db2.gz WITHTPYESNLXDA-TZMCWYRMSA-N 2 1 245.370 1.887 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000309953708 633975110 /nfs/dbraw/zinc/97/51/10/633975110.db2.gz HHRUOYVZBOIBPN-VXGBXAGGSA-N 2 1 222.336 1.372 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000309784867 634007899 /nfs/dbraw/zinc/00/78/99/634007899.db2.gz NTYAUNMQWNGNDE-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309982911 634026636 /nfs/dbraw/zinc/02/66/36/634026636.db2.gz DLYHBDMPNPNMSB-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309982911 634026642 /nfs/dbraw/zinc/02/66/42/634026642.db2.gz DLYHBDMPNPNMSB-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1ncc(CN2CC[N@@H+](C)C(C)(C)C2)n1C ZINC000895564164 636158542 /nfs/dbraw/zinc/15/85/42/636158542.db2.gz ABKUSBSXGQVOSV-UHFFFAOYSA-N 2 1 236.363 1.255 20 0 BDADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925606488 634135526 /nfs/dbraw/zinc/13/55/26/634135526.db2.gz WLKQPLYZBDFJMF-SYQHCUMBSA-N 2 1 240.391 1.778 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925662253 634231263 /nfs/dbraw/zinc/23/12/63/634231263.db2.gz HNPXEBAEPNNNBU-AVGNSLFASA-N 2 1 238.375 1.818 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC12CCOCC2 ZINC000925679730 634275811 /nfs/dbraw/zinc/27/58/11/634275811.db2.gz DHHPBPVYRDZJAF-XQQFMLRXSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925682270 634283016 /nfs/dbraw/zinc/28/30/16/634283016.db2.gz VUJUTCVPZCQTLR-GHMZBOCLSA-N 2 1 226.364 1.410 20 0 BDADMP CC1(C)C[C@@H](N[C@@H]2CCC[C@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC000925690779 634314253 /nfs/dbraw/zinc/31/42/53/634314253.db2.gz HDXQCYJJLXPRBP-QNWHQSFQSA-N 2 1 239.407 1.609 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000925692611 634326021 /nfs/dbraw/zinc/32/60/21/634326021.db2.gz OJFQLMRZNRDAKI-IUODEOHRSA-N 3 1 247.386 1.664 20 0 BDADMP C[C@@H]([NH3+])[C@@H](NCC1CC[NH2+]CC1)c1ccccc1 ZINC000925692611 634326028 /nfs/dbraw/zinc/32/60/28/634326028.db2.gz OJFQLMRZNRDAKI-IUODEOHRSA-N 2 1 247.386 1.664 20 0 BDADMP [NH3+]C1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925693501 634329350 /nfs/dbraw/zinc/32/93/50/634329350.db2.gz OZZKAGWCONXXEH-WXRRBKDZSA-N 2 1 237.391 1.521 20 0 BDADMP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925694621 634334393 /nfs/dbraw/zinc/33/43/93/634334393.db2.gz VHSHYHDJLUFVPI-SNVBAGLBSA-N 2 1 228.380 1.514 20 0 BDADMP COC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523824 634344654 /nfs/dbraw/zinc/34/46/54/634344654.db2.gz DKTIHLPDDWBLLX-WAAKLRNESA-N 2 1 212.337 1.236 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925698119 634362401 /nfs/dbraw/zinc/36/24/01/634362401.db2.gz BZEJCTSTDSBZBZ-AAEUAGOBSA-N 2 1 221.348 1.403 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000258868541 635217665 /nfs/dbraw/zinc/21/76/65/635217665.db2.gz FVVRYFLREMQDFL-NXEZZACHSA-N 2 1 247.298 1.091 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000258868552 635217768 /nfs/dbraw/zinc/21/77/68/635217768.db2.gz FVVRYFLREMQDFL-VHSXEESVSA-N 2 1 247.298 1.091 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798125 635336058 /nfs/dbraw/zinc/33/60/58/635336058.db2.gz PYOAZHJPYIIGNG-CKYFFXLPSA-N 2 1 236.363 1.614 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccnnc1 ZINC000925814767 635378690 /nfs/dbraw/zinc/37/86/90/635378690.db2.gz PPTUNWCNLPLQBS-ZYHUDNBSSA-N 2 1 243.314 1.339 20 0 BDADMP CC(C)[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000054110661 635388859 /nfs/dbraw/zinc/38/88/59/635388859.db2.gz IFCBSUCQUYRUFG-AGUYFDCRSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000054110661 635388863 /nfs/dbraw/zinc/38/88/63/635388863.db2.gz IFCBSUCQUYRUFG-AGUYFDCRSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000054110661 635388865 /nfs/dbraw/zinc/38/88/65/635388865.db2.gz IFCBSUCQUYRUFG-AGUYFDCRSA-N 2 1 239.407 1.541 20 0 BDADMP COCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000127774769 636777338 /nfs/dbraw/zinc/77/73/38/636777338.db2.gz JILIQOCWVDCIGQ-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP CON1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000323462571 636967503 /nfs/dbraw/zinc/96/75/03/636967503.db2.gz HRCKUDFMXPPBRB-UHFFFAOYSA-N 2 1 243.395 1.332 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718506 637376859 /nfs/dbraw/zinc/37/68/59/637376859.db2.gz NZKKHWVNUBKFPV-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721989 637379750 /nfs/dbraw/zinc/37/97/50/637379750.db2.gz GSVIWTRPJXXNNY-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721809 637379837 /nfs/dbraw/zinc/37/98/37/637379837.db2.gz FICFPJYMPAXXSB-KGLIPLIRSA-N 2 1 238.375 1.628 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000903789066 637383634 /nfs/dbraw/zinc/38/36/34/637383634.db2.gz UBTUCISRMNKBBZ-PYNQCMFNSA-N 2 1 210.365 1.949 20 0 BDADMP C(C1CC1)[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818291 637386110 /nfs/dbraw/zinc/38/61/10/637386110.db2.gz FPKBZEUAVLSQRT-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C(C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@H]1CCOC1 ZINC000904430646 637399578 /nfs/dbraw/zinc/39/95/78/637399578.db2.gz RXZZUMVZSZRWOY-KBPBESRZSA-N 2 1 238.375 1.631 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@H]1CCOC1 ZINC000904430646 637399580 /nfs/dbraw/zinc/39/95/80/637399580.db2.gz RXZZUMVZSZRWOY-KBPBESRZSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cncc(O)c1 ZINC000904432814 637400962 /nfs/dbraw/zinc/40/09/62/637400962.db2.gz GQYCOGFZXTXVOK-JQWIXIFHSA-N 2 1 235.331 1.407 20 0 BDADMP [NH3+][C@@H](C[NH2+]C1([C@H]2CCCCO2)CC1)CC(F)F ZINC000904442103 637410303 /nfs/dbraw/zinc/41/03/03/637410303.db2.gz AHISZPXSNBVNCR-NXEZZACHSA-N 2 1 248.317 1.660 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000904449816 637414112 /nfs/dbraw/zinc/41/41/12/637414112.db2.gz OSTPRLJGCOGISL-UHFFFAOYSA-N 2 1 243.314 1.053 20 0 BDADMP [NH3+]C1(c2noc(/C=C/[C@H]3CCC[NH2+]C3)n2)CC1 ZINC000905329989 637778867 /nfs/dbraw/zinc/77/88/67/637778867.db2.gz HTWIHCDMWXSHBU-CDAZIORVSA-N 2 1 234.303 1.030 20 0 BDADMP CC(C)[C@H]([NH3+])C(C)(C)c1nc(C2([NH3+])CC2)no1 ZINC000905331303 637779921 /nfs/dbraw/zinc/77/99/21/637779921.db2.gz OLFKHLPRQULSKF-QMMMGPOBSA-N 2 1 238.335 1.278 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000906507621 638179083 /nfs/dbraw/zinc/17/90/83/638179083.db2.gz BCVZIVBKUHNTMO-MGCOHNPYSA-N 2 1 242.269 1.867 20 0 BDADMP CCCn1nc(C)c(C[NH2+]C2CC([NH3+])C2)c1C ZINC000906510077 638183319 /nfs/dbraw/zinc/18/33/19/638183319.db2.gz MHCDKKHICQBMSM-UHFFFAOYSA-N 2 1 236.363 1.489 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2sccc2Cl)C1 ZINC000906511472 638186310 /nfs/dbraw/zinc/18/63/10/638186310.db2.gz VMJBKVHTBVQOPS-UHFFFAOYSA-N 2 1 216.737 1.981 20 0 BDADMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(F)c1 ZINC000906518491 638187541 /nfs/dbraw/zinc/18/75/41/638187541.db2.gz PWTOAUUUPDAMAA-MGCOHNPYSA-N 2 1 224.279 1.414 20 0 BDADMP C[C@H](C1CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000930502212 639785875 /nfs/dbraw/zinc/78/58/75/639785875.db2.gz HLVQQXIZCVJSJC-CYBMUJFWSA-N 2 1 241.423 1.600 20 0 BDADMP C[C@@H](C1CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076044 640057807 /nfs/dbraw/zinc/05/78/07/640057807.db2.gz MWLNFGIUDMBZGI-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278662 640129715 /nfs/dbraw/zinc/12/97/15/640129715.db2.gz KGJWWOCGTBAATI-GDNZZTSVSA-N 2 1 226.364 1.293 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278662 640129727 /nfs/dbraw/zinc/12/97/27/640129727.db2.gz KGJWWOCGTBAATI-GDNZZTSVSA-N 2 1 226.364 1.293 20 0 BDADMP CC[C@H](C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)OC ZINC000931317053 640143614 /nfs/dbraw/zinc/14/36/14/640143614.db2.gz MNQAMVPLZCLQRE-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](CC3(C)COC3)C[C@@]2(C)C1 ZINC000931312428 640148455 /nfs/dbraw/zinc/14/84/55/640148455.db2.gz XLJYRZCTLLIITD-ZIAGYGMSSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCO3)C[C@@H]2C1 ZINC000931437528 640199416 /nfs/dbraw/zinc/19/94/16/640199416.db2.gz RZAJPYUBJAUSSB-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2C1 ZINC000931437528 640199419 /nfs/dbraw/zinc/19/94/19/640199419.db2.gz RZAJPYUBJAUSSB-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2C1 ZINC000931437528 640199424 /nfs/dbraw/zinc/19/94/24/640199424.db2.gz RZAJPYUBJAUSSB-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC000931435131 640201092 /nfs/dbraw/zinc/20/10/92/640201092.db2.gz HIANKQXXXSLMBT-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC000931435131 640201095 /nfs/dbraw/zinc/20/10/95/640201095.db2.gz HIANKQXXXSLMBT-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC000931435131 640201099 /nfs/dbraw/zinc/20/10/99/640201099.db2.gz HIANKQXXXSLMBT-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434903 640202184 /nfs/dbraw/zinc/20/21/84/640202184.db2.gz AOTSPEFTFSOKSL-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434903 640202187 /nfs/dbraw/zinc/20/21/87/640202187.db2.gz AOTSPEFTFSOKSL-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434903 640202194 /nfs/dbraw/zinc/20/21/94/640202194.db2.gz AOTSPEFTFSOKSL-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP Cc1ccncc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931436790 640203726 /nfs/dbraw/zinc/20/37/26/640203726.db2.gz BNQNXPJMOOIHJU-HIFRSBDPSA-N 2 1 245.370 1.774 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931436790 640203731 /nfs/dbraw/zinc/20/37/31/640203731.db2.gz BNQNXPJMOOIHJU-HIFRSBDPSA-N 2 1 245.370 1.774 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931436790 640203738 /nfs/dbraw/zinc/20/37/38/640203738.db2.gz BNQNXPJMOOIHJU-HIFRSBDPSA-N 2 1 245.370 1.774 20 0 BDADMP CO[C@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931435614 640203849 /nfs/dbraw/zinc/20/38/49/640203849.db2.gz BVHLQKKKNZAMSU-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@H]([NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC000931435614 640203853 /nfs/dbraw/zinc/20/38/53/640203853.db2.gz BVHLQKKKNZAMSU-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@H]([NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC000931435614 640203856 /nfs/dbraw/zinc/20/38/56/640203856.db2.gz BVHLQKKKNZAMSU-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931442748 640205862 /nfs/dbraw/zinc/20/58/62/640205862.db2.gz NTSJTABGQRZJOT-IGQOVBAYSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC000931442748 640205868 /nfs/dbraw/zinc/20/58/68/640205868.db2.gz NTSJTABGQRZJOT-IGQOVBAYSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC000931442748 640205879 /nfs/dbraw/zinc/20/58/79/640205879.db2.gz NTSJTABGQRZJOT-IGQOVBAYSA-N 2 1 238.375 1.295 20 0 BDADMP Cc1ncc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)o1 ZINC000931442170 640207903 /nfs/dbraw/zinc/20/79/03/640207903.db2.gz WVCHYJPOQKZWAR-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1ncc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)o1 ZINC000931442170 640207908 /nfs/dbraw/zinc/20/79/08/640207908.db2.gz WVCHYJPOQKZWAR-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC000931442170 640207913 /nfs/dbraw/zinc/20/79/13/640207913.db2.gz WVCHYJPOQKZWAR-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC000931442170 640207917 /nfs/dbraw/zinc/20/79/17/640207917.db2.gz WVCHYJPOQKZWAR-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1cnc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)nc1 ZINC000931439784 640207965 /nfs/dbraw/zinc/20/79/65/640207965.db2.gz NVYWMALYDXVASK-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CCOC3CC3)CC[C@@H]21 ZINC000931548279 640267129 /nfs/dbraw/zinc/26/71/29/640267129.db2.gz XXXFOQYURXEDJO-AAEUAGOBSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCOC3CC3)CC[C@@H]21 ZINC000931548279 640267139 /nfs/dbraw/zinc/26/71/39/640267139.db2.gz XXXFOQYURXEDJO-AAEUAGOBSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCOC3CC3)CC[C@@H]21 ZINC000931548279 640267149 /nfs/dbraw/zinc/26/71/49/640267149.db2.gz XXXFOQYURXEDJO-AAEUAGOBSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCOC3CC3)CC[C@@H]21 ZINC000931548279 640267156 /nfs/dbraw/zinc/26/71/56/640267156.db2.gz XXXFOQYURXEDJO-AAEUAGOBSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCOC3CC3)CC[C@@H]21 ZINC000931548279 640267163 /nfs/dbraw/zinc/26/71/63/640267163.db2.gz XXXFOQYURXEDJO-AAEUAGOBSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CC[NH+]1CCCC1 ZINC000931622065 640292169 /nfs/dbraw/zinc/29/21/69/640292169.db2.gz ODOPUORFFQVQME-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCO[C@H](C)CC1 ZINC000932339657 640484054 /nfs/dbraw/zinc/48/40/54/640484054.db2.gz YWFNDOFKPDPHHL-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCO[C@H](C)CC1 ZINC000932339657 640484056 /nfs/dbraw/zinc/48/40/56/640484056.db2.gz YWFNDOFKPDPHHL-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000224217723 640605249 /nfs/dbraw/zinc/60/52/49/640605249.db2.gz OMQCBWFGSZSZIK-NWDGAFQWSA-N 2 1 248.326 1.107 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000166225573 640622778 /nfs/dbraw/zinc/62/27/78/640622778.db2.gz YKBMRYUAWACJOY-MNOVXSKESA-N 2 1 224.373 1.960 20 0 BDADMP C1=CO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000157452340 640685339 /nfs/dbraw/zinc/68/53/39/640685339.db2.gz SSZWOUTVAVIEGE-RDBSUJKOSA-N 2 1 236.359 1.896 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@]2(C)C1 ZINC000933739099 640757638 /nfs/dbraw/zinc/75/76/38/640757638.db2.gz BXANWFQGGXCURT-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@]2(C)C1 ZINC000933739099 640757645 /nfs/dbraw/zinc/75/76/45/640757645.db2.gz BXANWFQGGXCURT-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@]2(C)C1 ZINC000933739099 640757650 /nfs/dbraw/zinc/75/76/50/640757650.db2.gz BXANWFQGGXCURT-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCO)CC[C@@H]1[NH3+] ZINC000226422443 640763319 /nfs/dbraw/zinc/76/33/19/640763319.db2.gz RWYDUPBVLPSSCA-NEPJUHHUSA-N 2 1 214.353 1.208 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCCO ZINC000227257723 640822103 /nfs/dbraw/zinc/82/21/03/640822103.db2.gz VQFBFKWTHTVWJW-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[N@@H+]1C ZINC000169001591 640836714 /nfs/dbraw/zinc/83/67/14/640836714.db2.gz LOXHLQDBYPGXPG-CHWSQXEVSA-N 2 1 249.358 1.533 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[N@H+]1C ZINC000169001591 640836715 /nfs/dbraw/zinc/83/67/15/640836715.db2.gz LOXHLQDBYPGXPG-CHWSQXEVSA-N 2 1 249.358 1.533 20 0 BDADMP CCSCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229089442 640921361 /nfs/dbraw/zinc/92/13/61/640921361.db2.gz GSDVLQOPYKUWTK-MNOVXSKESA-N 2 1 216.394 1.656 20 0 BDADMP C[N@H+](CCNC(=[NH2+])NC1CCCCC1)C1CC1 ZINC000062010568 641014834 /nfs/dbraw/zinc/01/48/34/641014834.db2.gz GGYSYFCCEFEQFE-UHFFFAOYSA-N 2 1 238.379 1.527 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])NC1CCCCC1)C1CC1 ZINC000062010568 641014838 /nfs/dbraw/zinc/01/48/38/641014838.db2.gz GGYSYFCCEFEQFE-UHFFFAOYSA-N 2 1 238.379 1.527 20 0 BDADMP COCCC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000062034014 641016589 /nfs/dbraw/zinc/01/65/89/641016589.db2.gz YQVDNAVCCJIXBO-UHFFFAOYSA-N 2 1 200.326 1.097 20 0 BDADMP CO[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1C ZINC000230310895 641046444 /nfs/dbraw/zinc/04/64/44/641046444.db2.gz MWWSVRWSTXDBEC-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000231072323 641136589 /nfs/dbraw/zinc/13/65/89/641136589.db2.gz GMWZRWSJVLPFRM-GSPSYOTPSA-N 2 1 240.391 1.608 20 0 BDADMP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)nc1 ZINC000231462625 641174924 /nfs/dbraw/zinc/17/49/24/641174924.db2.gz AWCQPKDMEBZTKX-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)nc1 ZINC000231462625 641174928 /nfs/dbraw/zinc/17/49/28/641174928.db2.gz AWCQPKDMEBZTKX-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148468 641249824 /nfs/dbraw/zinc/24/98/24/641249824.db2.gz SZVOCQACKZHWRI-KGLIPLIRSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@@H+](CCCF)CCC1CC[NH2+]CC1 ZINC000088027754 641256724 /nfs/dbraw/zinc/25/67/24/641256724.db2.gz RNZNGYYKIDLFOH-UHFFFAOYSA-N 2 1 202.317 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261553188 641444552 /nfs/dbraw/zinc/44/45/52/641444552.db2.gz SHGKIVNOEZGYBT-PNKOWGENSA-N 2 1 208.349 1.857 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313009958 641525629 /nfs/dbraw/zinc/52/56/29/641525629.db2.gz SZRFUBPNDZCFPW-CHWSQXEVSA-N 2 1 240.391 1.731 20 0 BDADMP CCN(CCCc1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC000314957346 641579790 /nfs/dbraw/zinc/57/97/90/641579790.db2.gz UYJLWIZFZIYNFX-CYBMUJFWSA-N 2 1 236.363 1.037 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCSC(F)(F)F)C1 ZINC000123637181 641873894 /nfs/dbraw/zinc/87/38/94/641873894.db2.gz VQYDOAGWNZVUKO-JGVFFNPUSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCSC(F)(F)F)C1 ZINC000123637181 641873896 /nfs/dbraw/zinc/87/38/96/641873896.db2.gz VQYDOAGWNZVUKO-JGVFFNPUSA-N 2 1 242.310 1.909 20 0 BDADMP C[N@@H+]1CCC[C@H]1CSC[C@H]1C[NH+](C)CCO1 ZINC000917909094 642140154 /nfs/dbraw/zinc/14/01/54/642140154.db2.gz GMGQRQIWFMENST-NWDGAFQWSA-N 2 1 244.404 1.144 20 0 BDADMP C[N@H+]1CCC[C@H]1CSC[C@H]1C[NH+](C)CCO1 ZINC000917909094 642140158 /nfs/dbraw/zinc/14/01/58/642140158.db2.gz GMGQRQIWFMENST-NWDGAFQWSA-N 2 1 244.404 1.144 20 0 BDADMP C[NH+]1CCC[C@H]1CSC[C@H]1C[N@H+](C)CCO1 ZINC000917909094 642140162 /nfs/dbraw/zinc/14/01/62/642140162.db2.gz GMGQRQIWFMENST-NWDGAFQWSA-N 2 1 244.404 1.144 20 0 BDADMP C[NH+]1CCC[C@H]1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000917909094 642140165 /nfs/dbraw/zinc/14/01/65/642140165.db2.gz GMGQRQIWFMENST-NWDGAFQWSA-N 2 1 244.404 1.144 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233754111 642690738 /nfs/dbraw/zinc/69/07/38/642690738.db2.gz HAGJFAPKIIXKGO-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420405143 642723722 /nfs/dbraw/zinc/72/37/22/642723722.db2.gz PATIMESGMGNRQM-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420405143 642723727 /nfs/dbraw/zinc/72/37/27/642723727.db2.gz PATIMESGMGNRQM-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP CC[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183870438 643176398 /nfs/dbraw/zinc/17/63/98/643176398.db2.gz QPKFCELMIFNWBM-WODVXLOZSA-N 2 1 226.364 1.362 20 0 BDADMP CCOCC[N@@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233739301 643242488 /nfs/dbraw/zinc/24/24/88/643242488.db2.gz NSWIHJXJOAPJLB-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)C[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000082560726 643342839 /nfs/dbraw/zinc/34/28/39/643342839.db2.gz XUEFITRHSTZLMP-NEPJUHHUSA-N 2 1 210.365 1.962 20 0 BDADMP CCC(CC)[N@@H+](CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000232903035 643345218 /nfs/dbraw/zinc/34/52/18/643345218.db2.gz GJYXXJMCRTWHSF-OLZOCXBDSA-N 2 1 242.407 1.979 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843387051 643363438 /nfs/dbraw/zinc/36/34/38/643363438.db2.gz OAJCNBXGBAPRDE-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843387051 643363442 /nfs/dbraw/zinc/36/34/42/643363442.db2.gz OAJCNBXGBAPRDE-ZIAGYGMSSA-N 2 1 239.407 1.579 20 0 BDADMP ClC1(Cl)C[C@@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306998180 643384087 /nfs/dbraw/zinc/38/40/87/643384087.db2.gz XURMQYZWIPQORB-HRDYMLBCSA-N 2 1 235.158 1.331 20 0 BDADMP ClC1(Cl)C[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306998180 643384091 /nfs/dbraw/zinc/38/40/91/643384091.db2.gz XURMQYZWIPQORB-HRDYMLBCSA-N 2 1 235.158 1.331 20 0 BDADMP C1SCC1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000307279699 643427830 /nfs/dbraw/zinc/42/78/30/643427830.db2.gz XPJCZGMMLGDIPQ-GXSJLCMTSA-N 2 1 212.362 1.318 20 0 BDADMP C1SCC1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000307279700 643428174 /nfs/dbraw/zinc/42/81/74/643428174.db2.gz XPJCZGMMLGDIPQ-KOLCDFICSA-N 2 1 212.362 1.318 20 0 BDADMP c1csc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000082303813 643510732 /nfs/dbraw/zinc/51/07/32/643510732.db2.gz IXCOFQANGUOLFT-PHIMTYICSA-N 2 1 222.357 1.442 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085015348 643522852 /nfs/dbraw/zinc/52/28/52/643522852.db2.gz RMBWUWHQAANPMB-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921580681 643614190 /nfs/dbraw/zinc/61/41/90/643614190.db2.gz FPVIZJXWTSZWPK-ZDUSSCGKSA-N 2 1 249.358 1.609 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846222447 643652536 /nfs/dbraw/zinc/65/25/36/643652536.db2.gz CTTNEWAQPHSHPG-RDBSUJKOSA-N 3 1 241.423 1.811 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085014649 643679322 /nfs/dbraw/zinc/67/93/22/643679322.db2.gz NTBNJGMSUQPWMZ-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000050372548 643693999 /nfs/dbraw/zinc/69/39/99/643693999.db2.gz CUFQHCQXPASWII-NEPJUHHUSA-N 2 1 223.320 1.349 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]21 ZINC000230126246 643767199 /nfs/dbraw/zinc/76/71/99/643767199.db2.gz SSFLHKJCCXDLLQ-ZMLRMANQSA-N 2 1 237.372 1.702 20 0 BDADMP CCO[C@@H](C[NH2+]CC(C)C)C[NH+](C)C ZINC000922760226 644089194 /nfs/dbraw/zinc/08/91/94/644089194.db2.gz KTSYOFZTNNZICC-NSHDSACASA-N 2 1 202.342 1.199 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCS1 ZINC000922842486 644116841 /nfs/dbraw/zinc/11/68/41/644116841.db2.gz MBQIRCXXDWIJTH-CMPLNLGQSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCCCCO ZINC000228659108 644140404 /nfs/dbraw/zinc/14/04/04/644140404.db2.gz OXVMYWUBVQFXLJ-NWDGAFQWSA-N 2 1 214.353 1.208 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000172196865 644177299 /nfs/dbraw/zinc/17/72/99/644177299.db2.gz FLYRLBFZVVOOMM-LLVKDONJSA-N 2 1 214.429 1.747 20 0 BDADMP COC[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000081069391 644307554 /nfs/dbraw/zinc/30/75/54/644307554.db2.gz SPEHVKRYTLRXED-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281371 644313621 /nfs/dbraw/zinc/31/36/21/644313621.db2.gz MVLPWXJQOUJOAQ-JTQLQIEISA-N 2 1 223.320 1.326 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281371 644313625 /nfs/dbraw/zinc/31/36/25/644313625.db2.gz MVLPWXJQOUJOAQ-JTQLQIEISA-N 2 1 223.320 1.326 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H](O)CCC(C)C)CC1 ZINC000923287115 644321475 /nfs/dbraw/zinc/32/14/75/644321475.db2.gz OKNVSBJORDEPEB-ZDUSSCGKSA-N 2 1 228.380 1.467 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923290009 644324765 /nfs/dbraw/zinc/32/47/65/644324765.db2.gz LCVFDDUYLVCGLA-NSHDSACASA-N 2 1 237.347 1.587 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923290009 644324767 /nfs/dbraw/zinc/32/47/67/644324767.db2.gz LCVFDDUYLVCGLA-NSHDSACASA-N 2 1 237.347 1.587 20 0 BDADMP C[N@H+](CCC[NH3+])C[C@H](O)c1ccc(F)cc1F ZINC000923290753 644327217 /nfs/dbraw/zinc/32/72/17/644327217.db2.gz KHLCNOMOEQDZMY-LBPRGKRZSA-N 2 1 244.285 1.279 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H](O)c1ccc(F)cc1F ZINC000923290753 644327225 /nfs/dbraw/zinc/32/72/25/644327225.db2.gz KHLCNOMOEQDZMY-LBPRGKRZSA-N 2 1 244.285 1.279 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923291763 644330469 /nfs/dbraw/zinc/33/04/69/644330469.db2.gz RUZMPYOEIPVMOH-LBPRGKRZSA-N 2 1 216.369 1.598 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923302360 644337565 /nfs/dbraw/zinc/33/75/65/644337565.db2.gz WEMSJTADNBWBHN-LBPRGKRZSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+](CC1CCCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301442 644338120 /nfs/dbraw/zinc/33/81/20/644338120.db2.gz SQHZNDQDWZPRLJ-AVGNSLFASA-N 2 1 226.364 1.349 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923298415 644338220 /nfs/dbraw/zinc/33/82/20/644338220.db2.gz BSVPJNKUONQCGZ-VXGBXAGGSA-N 2 1 224.348 1.097 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315727 644344550 /nfs/dbraw/zinc/34/45/50/644344550.db2.gz YXTWXOYDBYFTNP-RHYQMDGZSA-N 2 1 214.353 1.205 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@@H]21 ZINC000923330699 644349415 /nfs/dbraw/zinc/34/94/15/644349415.db2.gz CEPGNAFHQXUFHS-FPMFFAJLSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2CN(CCC[NH2+]C3CC3)C[C@@H]21 ZINC000923330699 644349417 /nfs/dbraw/zinc/34/94/17/644349417.db2.gz CEPGNAFHQXUFHS-FPMFFAJLSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@H]1C[C@H](N(C)CCC[NH2+]C2CC2)CC[N@H+]1C ZINC000923324339 644351436 /nfs/dbraw/zinc/35/14/36/644351436.db2.gz FKXSEZODCNLUIZ-GXTWGEPZSA-N 2 1 239.407 1.543 20 0 BDADMP CC[C@H](O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000923353934 644368826 /nfs/dbraw/zinc/36/88/26/644368826.db2.gz OFBPGGUXEOQJJX-ZDUSSCGKSA-N 2 1 228.380 1.598 20 0 BDADMP CCCCCC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356026 644373705 /nfs/dbraw/zinc/37/37/05/644373705.db2.gz DOKVYUVQZUFFHL-KBPBESRZSA-N 2 1 242.407 1.987 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356026 644373715 /nfs/dbraw/zinc/37/37/15/644373715.db2.gz DOKVYUVQZUFFHL-KBPBESRZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H](O)c1ccccc1 ZINC000923368925 644382175 /nfs/dbraw/zinc/38/21/75/644382175.db2.gz HINNNAMPUUMTNG-OLZOCXBDSA-N 2 1 236.359 1.683 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CCC[NH2+]C2CC2)C[C@H]1C ZINC000923373851 644389692 /nfs/dbraw/zinc/38/96/92/644389692.db2.gz UQMUCWUOQCTHSW-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923386820 644399392 /nfs/dbraw/zinc/39/93/92/644399392.db2.gz RZMXUIILRXLWOO-GFCCVEGCSA-N 2 1 230.396 1.987 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923386820 644399399 /nfs/dbraw/zinc/39/93/99/644399399.db2.gz RZMXUIILRXLWOO-GFCCVEGCSA-N 2 1 230.396 1.987 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392232 644400225 /nfs/dbraw/zinc/40/02/25/644400225.db2.gz IZNJGONEFMZTBT-GXSJLCMTSA-N 2 1 237.347 1.857 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392232 644400231 /nfs/dbraw/zinc/40/02/31/644400231.db2.gz IZNJGONEFMZTBT-GXSJLCMTSA-N 2 1 237.347 1.857 20 0 BDADMP C[C@@H]([NH3+])C1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000085417381 644440096 /nfs/dbraw/zinc/44/00/96/644440096.db2.gz VGPHVQWZNPTGAP-SNVBAGLBSA-N 2 1 249.362 1.106 20 0 BDADMP C[C@@H]1C[N@@H+](C/C=C\Cl)CC[C@H]1C[NH3+] ZINC000923495426 644462275 /nfs/dbraw/zinc/46/22/75/644462275.db2.gz VKROSHKGTMTVDJ-IMDSDMBUSA-N 2 1 202.729 1.656 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000923495540 644463118 /nfs/dbraw/zinc/46/31/18/644463118.db2.gz BZFJDAHFQANYCJ-STQMWFEESA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490288 644464787 /nfs/dbraw/zinc/46/47/87/644464787.db2.gz MINIEARGFDZINX-CHWSQXEVSA-N 2 1 233.359 1.807 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923489800 644465429 /nfs/dbraw/zinc/46/54/29/644465429.db2.gz LCHSPWCCKRFWQT-MRVWCRGKSA-N 2 1 240.391 1.718 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)nn1 ZINC000923490556 644465325 /nfs/dbraw/zinc/46/53/25/644465325.db2.gz DNLNAHJCOMEJAH-GWCFXTLKSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1nnsc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488385 644465739 /nfs/dbraw/zinc/46/57/39/644465739.db2.gz DYOABZJFPNGBPJ-WCBMZHEXSA-N 2 1 240.376 1.263 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C1CCC1 ZINC000923488929 644465832 /nfs/dbraw/zinc/46/58/32/644465832.db2.gz IFISRAFHWNFFLO-FPMFFAJLSA-N 2 1 240.391 1.718 20 0 BDADMP Cc1nccnc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491031 644465990 /nfs/dbraw/zinc/46/59/90/644465990.db2.gz QBAUHZNULNOFKG-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000923491935 644467123 /nfs/dbraw/zinc/46/71/23/644467123.db2.gz VIAKSFPDYTWUKP-CQLXCSJHSA-N 2 1 226.364 1.328 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491973 644467829 /nfs/dbraw/zinc/46/78/29/644467829.db2.gz LODROAWEJYRNKU-LPWJVIDDSA-N 2 1 210.365 1.949 20 0 BDADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923492923 644468505 /nfs/dbraw/zinc/46/85/05/644468505.db2.gz ZMHBXMOQILXSKJ-UWVGGRQHSA-N 2 1 239.319 1.100 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@@H]1C[NH3+] ZINC000923494527 644469601 /nfs/dbraw/zinc/46/96/01/644469601.db2.gz YLXVZBFQQZDRSK-VXGBXAGGSA-N 3 1 225.380 1.045 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502572 644470089 /nfs/dbraw/zinc/47/00/89/644470089.db2.gz CASQSXVWFDLHNS-JOYOIKCWSA-N 2 1 237.347 1.708 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccns2)CC[C@H]1C[NH3+] ZINC000923494069 644470101 /nfs/dbraw/zinc/47/01/01/644470101.db2.gz VNXDWOFOAZOSRN-QWRGUYRKSA-N 2 1 239.388 1.602 20 0 BDADMP CCc1noc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923497632 644472067 /nfs/dbraw/zinc/47/20/67/644472067.db2.gz HQABRYXWQAUINZ-UWVGGRQHSA-N 2 1 238.335 1.049 20 0 BDADMP CCc1noc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923497632 644472075 /nfs/dbraw/zinc/47/20/75/644472075.db2.gz HQABRYXWQAUINZ-UWVGGRQHSA-N 2 1 238.335 1.049 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1C[NH3+] ZINC000923497540 644473212 /nfs/dbraw/zinc/47/32/12/644473212.db2.gz LZZKQOHSOLOXTD-ZYHUDNBSSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@H]1C[N@@H+](CCOCC(F)F)CC[C@H]1C[NH3+] ZINC000923501653 644474586 /nfs/dbraw/zinc/47/45/86/644474586.db2.gz RUQPNQNBBBXVCY-UWVGGRQHSA-N 2 1 236.306 1.185 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923515841 644479661 /nfs/dbraw/zinc/47/96/61/644479661.db2.gz OFXMKFZGWCXZGU-YNEHKIRRSA-N 2 1 238.375 1.343 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522693 644487309 /nfs/dbraw/zinc/48/73/09/644487309.db2.gz YUWWBSHXYGIADA-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP COCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923532832 644490672 /nfs/dbraw/zinc/49/06/72/644490672.db2.gz CMUJLGFXQRGCOT-ZDUSSCGKSA-N 2 1 226.364 1.631 20 0 BDADMP COCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923532832 644490676 /nfs/dbraw/zinc/49/06/76/644490676.db2.gz CMUJLGFXQRGCOT-ZDUSSCGKSA-N 2 1 226.364 1.631 20 0 BDADMP OCCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923541400 644495895 /nfs/dbraw/zinc/49/58/95/644495895.db2.gz YOQGGTBKSLVNIK-AWEZNQCLSA-N 2 1 240.391 1.757 20 0 BDADMP OCCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923541400 644495898 /nfs/dbraw/zinc/49/58/98/644495898.db2.gz YOQGGTBKSLVNIK-AWEZNQCLSA-N 2 1 240.391 1.757 20 0 BDADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C[C@H]1CC[NH2+]C1 ZINC000923557677 644501276 /nfs/dbraw/zinc/50/12/76/644501276.db2.gz NESZQLVPTCYHNN-UONOGXRCSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)C[C@@H]1CN(C)CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923557677 644501282 /nfs/dbraw/zinc/50/12/82/644501282.db2.gz NESZQLVPTCYHNN-UONOGXRCSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923557677 644501286 /nfs/dbraw/zinc/50/12/86/644501286.db2.gz NESZQLVPTCYHNN-UONOGXRCSA-N 2 1 239.407 1.258 20 0 BDADMP C(C1CC1)[C@H]1COCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923556362 644502109 /nfs/dbraw/zinc/50/21/09/644502109.db2.gz WNDYTVWQAWPWJH-STQMWFEESA-N 2 1 224.348 1.097 20 0 BDADMP C(C1CC1)[C@H]1COCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923556362 644502113 /nfs/dbraw/zinc/50/21/13/644502113.db2.gz WNDYTVWQAWPWJH-STQMWFEESA-N 2 1 224.348 1.097 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCCO)[C@@H](C)C1 ZINC000245916614 644553467 /nfs/dbraw/zinc/55/34/67/644553467.db2.gz QCAFRSAZADTSRW-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](C)N(C)C ZINC000093515896 644691495 /nfs/dbraw/zinc/69/14/95/644691495.db2.gz LPMAQGBRHRTDQK-MGPQQGTHSA-N 2 1 241.423 1.837 20 0 BDADMP Cc1ccc(O)c(C[N@H+](C)CC(C)(C)C[NH3+])n1 ZINC000093873202 644702058 /nfs/dbraw/zinc/70/20/58/644702058.db2.gz SOHAXQZRXAACPT-UHFFFAOYSA-N 2 1 237.347 1.512 20 0 BDADMP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248880304 644704304 /nfs/dbraw/zinc/70/43/04/644704304.db2.gz SEKVQVWPQIWMOD-TUAOUCFPSA-N 2 1 241.379 1.055 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000094339205 644716966 /nfs/dbraw/zinc/71/69/66/644716966.db2.gz MCKSRWCYJAFQIG-KOLCDFICSA-N 2 1 235.331 1.265 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782623417 644744646 /nfs/dbraw/zinc/74/46/46/644744646.db2.gz RBHVTNFPYNFBKF-UONOGXRCSA-N 2 1 249.358 1.286 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782623417 644744655 /nfs/dbraw/zinc/74/46/55/644744655.db2.gz RBHVTNFPYNFBKF-UONOGXRCSA-N 2 1 249.358 1.286 20 0 BDADMP CO[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000250598268 644769831 /nfs/dbraw/zinc/76/98/31/644769831.db2.gz JHMUZKBZONZGNM-GTGGMXTKSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252513262 644860570 /nfs/dbraw/zinc/86/05/70/644860570.db2.gz PBSDDVIJXPVDDP-ZOBORPQBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252513262 644860575 /nfs/dbraw/zinc/86/05/75/644860575.db2.gz PBSDDVIJXPVDDP-ZOBORPQBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252513260 644861763 /nfs/dbraw/zinc/86/17/63/644861763.db2.gz PBSDDVIJXPVDDP-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252513260 644861768 /nfs/dbraw/zinc/86/17/68/644861768.db2.gz PBSDDVIJXPVDDP-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000252549802 644865297 /nfs/dbraw/zinc/86/52/97/644865297.db2.gz OCOGTVGIXAUNPW-IHRRRGAJSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000252549802 644865302 /nfs/dbraw/zinc/86/53/02/644865302.db2.gz OCOGTVGIXAUNPW-IHRRRGAJSA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C)C2)[C@@H](C)C1 ZINC000252709387 644887737 /nfs/dbraw/zinc/88/77/37/644887737.db2.gz CTSPHQPWKALSII-AVGNSLFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000252709387 644887739 /nfs/dbraw/zinc/88/77/39/644887739.db2.gz CTSPHQPWKALSII-AVGNSLFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000252709387 644887742 /nfs/dbraw/zinc/88/77/42/644887742.db2.gz CTSPHQPWKALSII-AVGNSLFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C2)[C@@H](C)C1 ZINC000252709387 644887746 /nfs/dbraw/zinc/88/77/46/644887746.db2.gz CTSPHQPWKALSII-AVGNSLFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000252709387 644887750 /nfs/dbraw/zinc/88/77/50/644887750.db2.gz CTSPHQPWKALSII-AVGNSLFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000926573765 645292233 /nfs/dbraw/zinc/29/22/33/645292233.db2.gz PNZBZOLUZRJCFZ-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CC2)CC1 ZINC000927161291 645579568 /nfs/dbraw/zinc/57/95/68/645579568.db2.gz GVNKBQOZRPCGLZ-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCC(C)C ZINC000221886305 645894256 /nfs/dbraw/zinc/89/42/56/645894256.db2.gz UXNYVTNQOPPPGM-NSHDSACASA-N 2 1 228.384 1.487 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCC[NH+]1CCCC1 ZINC000924561885 646069329 /nfs/dbraw/zinc/06/93/29/646069329.db2.gz PDVXDXMPPMOKPO-PBWFPOADSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCCC1 ZINC000924561885 646069333 /nfs/dbraw/zinc/06/93/33/646069333.db2.gz PDVXDXMPPMOKPO-PBWFPOADSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCCC1 ZINC000924561885 646069336 /nfs/dbraw/zinc/06/93/36/646069336.db2.gz PDVXDXMPPMOKPO-PBWFPOADSA-N 2 1 237.391 1.012 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C1[C@H](C)CC[C@H]1C ZINC000924652527 646086351 /nfs/dbraw/zinc/08/63/51/646086351.db2.gz AXLIOFXKLKJWSS-CHWSQXEVSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)C(C(C)C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924990632 646152687 /nfs/dbraw/zinc/15/26/87/646152687.db2.gz JCVGLOLQXCYQHR-CHWSQXEVSA-N 2 1 244.423 1.815 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCOC1 ZINC000925052092 646169448 /nfs/dbraw/zinc/16/94/48/646169448.db2.gz AEQRNGUPVRLMOZ-PIGZVRMJSA-N 2 1 238.375 1.343 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1COC[C@H]1C ZINC000925134163 646193608 /nfs/dbraw/zinc/19/36/08/646193608.db2.gz PLBUBYKACMJBIF-YPMHNXCESA-N 2 1 237.347 1.596 20 0 BDADMP CCC[C@@H](CCO)C[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925187423 646204111 /nfs/dbraw/zinc/20/41/11/646204111.db2.gz XXHNJOZASBEIGR-IHRRRGAJSA-N 2 1 240.391 1.469 20 0 BDADMP CCC[C@@H](CCO)C[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925187423 646204118 /nfs/dbraw/zinc/20/41/18/646204118.db2.gz XXHNJOZASBEIGR-IHRRRGAJSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000925482204 646294505 /nfs/dbraw/zinc/29/45/05/646294505.db2.gz MPMBUNMKWPYDJZ-BXUZGUMPSA-N 2 1 234.343 1.844 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925529200 646317934 /nfs/dbraw/zinc/31/79/34/646317934.db2.gz ZPSMIGWRVYCPKN-QWHCGFSZSA-N 2 1 242.407 1.905 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C[N@H+]1C1CC1 ZINC000925544276 646324621 /nfs/dbraw/zinc/32/46/21/646324621.db2.gz ZBDDQGOTZYMHOB-UVLXDEKHSA-N 2 1 249.402 1.471 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925543339 646325337 /nfs/dbraw/zinc/32/53/37/646325337.db2.gz MPSIEIGORQOYRP-VXGBXAGGSA-N 2 1 234.347 1.146 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925608840 646356942 /nfs/dbraw/zinc/35/69/42/646356942.db2.gz KQUHMVPHNQMYLD-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP Cc1ncc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000925615783 646362203 /nfs/dbraw/zinc/36/22/03/646362203.db2.gz IKJVHTRQQCZHDX-SKDRFNHKSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925621834 646368460 /nfs/dbraw/zinc/36/84/60/646368460.db2.gz GZAVALVXRJSMKU-NEPJUHHUSA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925625274 646372707 /nfs/dbraw/zinc/37/27/07/646372707.db2.gz HGCUWDVDBBNKLB-AVGNSLFASA-N 2 1 242.407 1.760 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925640150 646383393 /nfs/dbraw/zinc/38/33/93/646383393.db2.gz GLVOPZMCFJNWSO-FQVTYBBZSA-N 2 1 224.348 1.188 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000925641778 646384350 /nfs/dbraw/zinc/38/43/50/646384350.db2.gz BLOTUTXRHYAIHX-ZDEQEGDKSA-N 2 1 226.364 1.268 20 0 BDADMP CCOC1CC(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925649144 646390403 /nfs/dbraw/zinc/39/04/03/646390403.db2.gz HUNHQINNTOYDLU-BLYZHGLHSA-N 2 1 240.391 1.922 20 0 BDADMP C1=CC[N@@H+](CCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925661800 646397156 /nfs/dbraw/zinc/39/71/56/646397156.db2.gz DXHSGQYIQXIXOZ-AWEZNQCLSA-N 2 1 249.402 1.513 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000925668982 646400113 /nfs/dbraw/zinc/40/01/13/646400113.db2.gz MULLOWKDHAARAC-RISCZKNCSA-N 2 1 246.354 1.893 20 0 BDADMP C[C@@H](CN(C)C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671756 646401504 /nfs/dbraw/zinc/40/15/04/646401504.db2.gz FPNSJTUYWPDHLM-TUAOUCFPSA-N 2 1 227.396 1.432 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925673440 646402255 /nfs/dbraw/zinc/40/22/55/646402255.db2.gz XDZXDGGAHOTJPG-MXWKQRLJSA-N 2 1 226.389 1.612 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925673089 646402620 /nfs/dbraw/zinc/40/26/20/646402620.db2.gz XDZXDGGAHOTJPG-GMTAPVOTSA-N 2 1 226.389 1.612 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925672849 646403764 /nfs/dbraw/zinc/40/37/64/646403764.db2.gz KVYQJXMATIEIMX-NWDGAFQWSA-N 2 1 226.364 1.125 20 0 BDADMP COCC1(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000925679506 646407138 /nfs/dbraw/zinc/40/71/38/646407138.db2.gz ZXNAXXGCYXIURV-CHWSQXEVSA-N 2 1 240.391 1.923 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925680285 646407580 /nfs/dbraw/zinc/40/75/80/646407580.db2.gz PXYPQQQPKUHUQR-TUAOUCFPSA-N 2 1 228.380 1.778 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925683188 646411426 /nfs/dbraw/zinc/41/14/26/646411426.db2.gz MGAOWUCNCUWRQM-IJLUTSLNSA-N 2 1 224.348 1.428 20 0 BDADMP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000925691385 646416099 /nfs/dbraw/zinc/41/60/99/646416099.db2.gz LRQRJMACIPGAGF-NWDGAFQWSA-N 2 1 224.348 1.022 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H](O)C(C)C ZINC000925694437 646420327 /nfs/dbraw/zinc/42/03/27/646420327.db2.gz WMGNUZQGKRIBMW-RWMBFGLXSA-N 2 1 240.391 1.656 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925696262 646421160 /nfs/dbraw/zinc/42/11/60/646421160.db2.gz YOSPAKIXJPLEBT-QJPTWQEYSA-N 2 1 212.337 1.001 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925697606 646422287 /nfs/dbraw/zinc/42/22/87/646422287.db2.gz YJFJHCAAYPMQNZ-WISYIIOYSA-N 2 1 212.337 1.284 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925703217 646426997 /nfs/dbraw/zinc/42/69/97/646426997.db2.gz COSXMWLQORJMIG-NEPJUHHUSA-N 2 1 239.407 1.589 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925705392 646428858 /nfs/dbraw/zinc/42/88/58/646428858.db2.gz BDAXVOUYUSCYJO-NDBYEHHHSA-N 2 1 236.359 1.571 20 0 BDADMP CSCC1(CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925704412 646429861 /nfs/dbraw/zinc/42/98/61/646429861.db2.gz GXYCYQUSZZWDOP-LLVKDONJSA-N 2 1 244.404 1.098 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925711480 646435882 /nfs/dbraw/zinc/43/58/82/646435882.db2.gz NAEZYCQOSQMXCU-WISYIIOYSA-N 2 1 222.332 1.181 20 0 BDADMP [NH3+]Cc1ccc(CN[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925713448 646439793 /nfs/dbraw/zinc/43/97/93/646439793.db2.gz SWDKDZMHMVIVQK-KBPBESRZSA-N 2 1 245.370 1.505 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000925725114 646450240 /nfs/dbraw/zinc/45/02/40/646450240.db2.gz HFDCFVJOCUWVGC-XNBXPENISA-N 2 1 248.370 1.284 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccnn1C ZINC000925726998 646451490 /nfs/dbraw/zinc/45/14/90/646451490.db2.gz BHMRFANKYLYDFP-WCQGTBRESA-N 2 1 234.347 1.341 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000925729174 646453609 /nfs/dbraw/zinc/45/36/09/646453609.db2.gz JEJFBKQRQKPVLP-QJPTWQEYSA-N 2 1 240.347 1.060 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nccc32)C12CCC2 ZINC000925730546 646453810 /nfs/dbraw/zinc/45/38/10/646453810.db2.gz WNUXTXFHVWKDJN-RTXFEEFZSA-N 2 1 246.358 1.578 20 0 BDADMP CCC1([NH3+])CCN([C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000925755324 646463840 /nfs/dbraw/zinc/46/38/40/646463840.db2.gz DLRUIPLCCWXFNJ-NWDGAFQWSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785955 646464329 /nfs/dbraw/zinc/46/43/29/646464329.db2.gz MMKUJQPCFGIYSN-JFGNBEQYSA-N 2 1 224.373 1.877 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2c[nH]nc2C)CC1 ZINC000925754958 646464709 /nfs/dbraw/zinc/46/47/09/646464709.db2.gz AJZOTVQQYXLKPT-NSHDSACASA-N 2 1 236.363 1.982 20 0 BDADMP Nc1cc[nH+]c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000925769930 646471420 /nfs/dbraw/zinc/47/14/20/646471420.db2.gz CYNCBHULOLCHAV-OCCSQVGLSA-N 2 1 246.358 1.380 20 0 BDADMP CC[C@H](CO)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930171116 646471870 /nfs/dbraw/zinc/47/18/70/646471870.db2.gz LFWAAIKTVKBYLX-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925772919 646473257 /nfs/dbraw/zinc/47/32/57/646473257.db2.gz XQKXVVWSQQYDFY-QMTHXVAHSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925775739 646476087 /nfs/dbraw/zinc/47/60/87/646476087.db2.gz RSZCZQDTTRAJSB-UPJWGTAASA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925779685 646477294 /nfs/dbraw/zinc/47/72/94/646477294.db2.gz ZJPLSTSAMWQNIS-MNOVXSKESA-N 2 1 249.349 1.338 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925822209 646495555 /nfs/dbraw/zinc/49/55/55/646495555.db2.gz JZUGKRPJMNPRGG-HDLKOFKZSA-N 2 1 208.349 1.761 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925837866 646504102 /nfs/dbraw/zinc/50/41/02/646504102.db2.gz INQYGXPVAWFFPJ-REWJHTLYSA-N 3 1 237.391 1.378 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000925853979 646511229 /nfs/dbraw/zinc/51/12/29/646511229.db2.gz DCZYVPFRNBHNNV-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP Cn1nc(C2CC2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925873634 646524634 /nfs/dbraw/zinc/52/46/34/646524634.db2.gz LAVOKQYLOHOKEL-LBPRGKRZSA-N 2 1 248.374 1.529 20 0 BDADMP CCOCCOCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000925875149 646525461 /nfs/dbraw/zinc/52/54/61/646525461.db2.gz PMKRIGLEHSXOHJ-STQMWFEESA-N 2 1 244.379 1.160 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000925879438 646529661 /nfs/dbraw/zinc/52/96/61/646529661.db2.gz DQRJBHLWWIPZSG-IDTSFGKNSA-N 2 1 245.370 1.848 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[NH+]2C[C@@H]1CCC2 ZINC000926450539 646642544 /nfs/dbraw/zinc/64/25/44/646642544.db2.gz OFVUCVODORSVRT-RDBSUJKOSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926450539 646642550 /nfs/dbraw/zinc/64/25/50/646642550.db2.gz OFVUCVODORSVRT-RDBSUJKOSA-N 2 1 239.407 1.399 20 0 BDADMP Cc1nnsc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723698437 711534524 /nfs/dbraw/zinc/53/45/24/711534524.db2.gz GHNUZJXZXNNNOW-SECBINFHSA-N 2 1 226.349 1.017 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000723709269 711535387 /nfs/dbraw/zinc/53/53/87/711535387.db2.gz NJDOMGFIGZDQEQ-WDEREUQCSA-N 2 1 214.378 1.410 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711657 711536013 /nfs/dbraw/zinc/53/60/13/711536013.db2.gz DWXQHBNHJRJMJU-NSHDSACASA-N 2 1 222.336 1.074 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000382657872 711546575 /nfs/dbraw/zinc/54/65/75/711546575.db2.gz HXTFGXORLCLNEC-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000382657872 711546577 /nfs/dbraw/zinc/54/65/77/711546577.db2.gz HXTFGXORLCLNEC-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP COC(=O)CCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902399 711544861 /nfs/dbraw/zinc/54/48/61/711544861.db2.gz WYTBUQACCMGJCG-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000309060908 711586253 /nfs/dbraw/zinc/58/62/53/711586253.db2.gz VTQMYTOVBPTCAX-AEJSXWLSSA-N 2 1 220.307 1.947 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000309060908 711586255 /nfs/dbraw/zinc/58/62/55/711586255.db2.gz VTQMYTOVBPTCAX-AEJSXWLSSA-N 2 1 220.307 1.947 20 0 BDADMP COCC[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710712967 711762422 /nfs/dbraw/zinc/76/24/22/711762422.db2.gz FWDULXGMLQDUAB-GFCCVEGCSA-N 2 1 216.369 1.862 20 0 BDADMP COCC[N@@H+](CCF)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000700383988 711803014 /nfs/dbraw/zinc/80/30/14/711803014.db2.gz GHHDPTDSMTWNQT-NEPJUHHUSA-N 2 1 232.343 1.292 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C1 ZINC000721928310 711938040 /nfs/dbraw/zinc/93/80/40/711938040.db2.gz QCRJBFAYCGKKMU-XQQFMLRXSA-N 2 1 228.380 1.717 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000700631786 712003693 /nfs/dbraw/zinc/00/36/93/712003693.db2.gz SQPOXNMOTOAIPE-LLVKDONJSA-N 2 1 224.373 1.961 20 0 BDADMP COC1CC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703851021 712090744 /nfs/dbraw/zinc/09/07/44/712090744.db2.gz CQPWGOLUZUCBGE-QBHFIFKDSA-N 2 1 224.348 1.238 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703851021 712090746 /nfs/dbraw/zinc/09/07/46/712090746.db2.gz CQPWGOLUZUCBGE-QBHFIFKDSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)C3CC3)C[C@]2(C)C1 ZINC000705664246 712134710 /nfs/dbraw/zinc/13/47/10/712134710.db2.gz YCMBUBVWHXPBQL-MCIONIFRSA-N 2 1 238.375 1.031 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)C3CC3)C[C@]2(C)C1 ZINC000705664246 712134712 /nfs/dbraw/zinc/13/47/12/712134712.db2.gz YCMBUBVWHXPBQL-MCIONIFRSA-N 2 1 238.375 1.031 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)C3CC3)C[C@]2(C)C1 ZINC000705664246 712134713 /nfs/dbraw/zinc/13/47/13/712134713.db2.gz YCMBUBVWHXPBQL-MCIONIFRSA-N 2 1 238.375 1.031 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)C3CC3)C[C@]2(C)C1 ZINC000705664246 712134715 /nfs/dbraw/zinc/13/47/15/712134715.db2.gz YCMBUBVWHXPBQL-MCIONIFRSA-N 2 1 238.375 1.031 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C(F)(F)F ZINC000709794670 712227356 /nfs/dbraw/zinc/22/73/56/712227356.db2.gz OCGDHNWCJSYAQE-RKDXNWHRSA-N 2 1 222.254 1.465 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000709896196 712230911 /nfs/dbraw/zinc/23/09/11/712230911.db2.gz GGOMXLIAFCVYNH-XQHKEYJVSA-N 2 1 226.364 1.613 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC2(OC)OC)C1 ZINC000710959209 712268281 /nfs/dbraw/zinc/26/82/81/712268281.db2.gz LFSMURHBGHCLEN-NEPJUHHUSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC2(OC)OC)C1 ZINC000710959209 712268282 /nfs/dbraw/zinc/26/82/82/712268282.db2.gz LFSMURHBGHCLEN-NEPJUHHUSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC2(OC)OC)C1 ZINC000710959209 712268283 /nfs/dbraw/zinc/26/82/83/712268283.db2.gz LFSMURHBGHCLEN-NEPJUHHUSA-N 2 1 242.363 1.069 20 0 BDADMP FC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000711446221 712301001 /nfs/dbraw/zinc/30/10/01/712301001.db2.gz WCXUGARCEQDYKP-VXGBXAGGSA-N 2 1 214.328 1.668 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCCC(C)(C)O1 ZINC000714332615 712482262 /nfs/dbraw/zinc/48/22/62/712482262.db2.gz ZRYSPPROGLGFOY-LBPRGKRZSA-N 2 1 244.379 1.241 20 0 BDADMP OCCCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000379936616 712633861 /nfs/dbraw/zinc/63/38/61/712633861.db2.gz WCOMJMJAPAZVQE-UHFFFAOYSA-N 2 1 240.391 1.756 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000389732293 712690319 /nfs/dbraw/zinc/69/03/19/712690319.db2.gz QUSCOKJRVUVECG-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717985128 712735015 /nfs/dbraw/zinc/73/50/15/712735015.db2.gz QGCYCOXIXNZDKB-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(C)n1 ZINC000719597733 712813429 /nfs/dbraw/zinc/81/34/29/712813429.db2.gz DWDXHAYWEUUXRL-MWLCHTKSSA-N 2 1 220.320 1.598 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1(C)CCCC1 ZINC000720291129 712830168 /nfs/dbraw/zinc/83/01/68/712830168.db2.gz AHQAONUJRSFSFM-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1(C)CCCC1 ZINC000720291129 712830171 /nfs/dbraw/zinc/83/01/71/712830171.db2.gz AHQAONUJRSFSFM-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1nnsc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000381638084 710666146 /nfs/dbraw/zinc/66/61/46/710666146.db2.gz OSEYZOCTULAXTH-UHFFFAOYSA-N 2 1 240.376 1.548 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000381784836 710714459 /nfs/dbraw/zinc/71/44/59/710714459.db2.gz YPDDNTKTIKLBPL-UHFFFAOYSA-N 2 1 230.302 1.882 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)nn1 ZINC000723881611 710732899 /nfs/dbraw/zinc/73/28/99/710732899.db2.gz BMIFQRNTBQRYKQ-ZWNOBZJWSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1[nH]c(CN2CCC[C@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC000724783314 710746496 /nfs/dbraw/zinc/74/64/96/710746496.db2.gz ZMHUTJOZVSLQJW-LBPRGKRZSA-N 2 1 236.363 1.553 20 0 BDADMP Cc1cc(C)nc(C[N@H+](C)CCC[NH3+])c1 ZINC000381980092 710762524 /nfs/dbraw/zinc/76/25/24/710762524.db2.gz HATQJKKQWNCAQG-UHFFFAOYSA-N 2 1 207.321 1.479 20 0 BDADMP Cc1cc(C)nc(C[N@@H+](C)CCC[NH3+])c1 ZINC000381980092 710762526 /nfs/dbraw/zinc/76/25/26/710762526.db2.gz HATQJKKQWNCAQG-UHFFFAOYSA-N 2 1 207.321 1.479 20 0 BDADMP COCCCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396706085 710907382 /nfs/dbraw/zinc/90/73/82/710907382.db2.gz ORPBEBGJVAWABG-NEPJUHHUSA-N 2 1 214.353 1.533 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000396706580 710907669 /nfs/dbraw/zinc/90/76/69/710907669.db2.gz NISLZVCLNSWTGT-IJLUTSLNSA-N 2 1 214.353 1.388 20 0 BDADMP CC[NH+]1CCC([NH2+]C/C=C\Cl)CC1 ZINC000387394928 711042348 /nfs/dbraw/zinc/04/23/48/711042348.db2.gz JVAWHEOJTGLPHR-UTCJRWHESA-N 2 1 202.729 1.813 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC000388164318 711053282 /nfs/dbraw/zinc/05/32/82/711053282.db2.gz OYNMLFHPFOQNSP-OSCQXZJKSA-N 2 1 202.729 1.811 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CC[N@H+]1C ZINC000388164318 711053284 /nfs/dbraw/zinc/05/32/84/711053284.db2.gz OYNMLFHPFOQNSP-OSCQXZJKSA-N 2 1 202.729 1.811 20 0 BDADMP COC[C@H](C)C[N@@H+](C)CCCCCC[NH3+] ZINC000389665981 711085845 /nfs/dbraw/zinc/08/58/45/711085845.db2.gz NWHPSQUIJOQMDW-GFCCVEGCSA-N 2 1 216.369 1.720 20 0 BDADMP C[C@H](C[NH2+]Cc1ccc(F)nc1)C[NH+](C)C ZINC000390235250 711109996 /nfs/dbraw/zinc/10/99/96/711109996.db2.gz FTCMOVIIISSPMD-SNVBAGLBSA-N 2 1 225.311 1.508 20 0 BDADMP Cn1c(Cl)cnc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000393378279 711158203 /nfs/dbraw/zinc/15/82/03/711158203.db2.gz UQOFGCKILXMBJQ-DTWKUNHWSA-N 2 1 242.754 1.433 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000393661433 711167677 /nfs/dbraw/zinc/16/76/77/711167677.db2.gz WPZCMPXYQZSFKU-HRDYMLBCSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000393661433 711167678 /nfs/dbraw/zinc/16/76/78/711167678.db2.gz WPZCMPXYQZSFKU-HRDYMLBCSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000396622793 711360780 /nfs/dbraw/zinc/36/07/80/711360780.db2.gz VKCVAJFYPHHHAF-NEPJUHHUSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000396622798 711360862 /nfs/dbraw/zinc/36/08/62/711360862.db2.gz VKCVAJFYPHHHAF-RYUDHWBXSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000396589266 711353635 /nfs/dbraw/zinc/35/36/35/711353635.db2.gz BOQVJNIRQSGRSS-WDEREUQCSA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396602267 711353877 /nfs/dbraw/zinc/35/38/77/711353877.db2.gz HKOZRQJFUHOCKH-RWMBFGLXSA-N 2 1 227.396 1.447 20 0 BDADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396592278 711355709 /nfs/dbraw/zinc/35/57/09/711355709.db2.gz KDBGRNYSCPFVOX-TUAOUCFPSA-N 2 1 241.379 1.021 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000396604321 711358665 /nfs/dbraw/zinc/35/86/65/711358665.db2.gz IAHOHOVKBPHSHB-XQHKEYJVSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1NCCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000396631314 711360425 /nfs/dbraw/zinc/36/04/25/711360425.db2.gz XTUSYDSVBIKZDL-DGCLKSJQSA-N 2 1 226.364 1.676 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396719563 711365760 /nfs/dbraw/zinc/36/57/60/711365760.db2.gz SNQFEDPXCXLXAJ-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1C[N@@H+](CCCOC(F)(F)F)CC[C@@H]1[NH3+] ZINC000398135481 711402065 /nfs/dbraw/zinc/40/20/65/711402065.db2.gz ALFSLIDLJZRPJW-IUCAKERBSA-N 2 1 240.269 1.582 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCOC(F)F ZINC000398273102 711406886 /nfs/dbraw/zinc/40/68/86/711406886.db2.gz HGIUBMYAMNTTSX-DTWKUNHWSA-N 2 1 222.279 1.346 20 0 BDADMP C[C@@H]1COCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000399172625 711423471 /nfs/dbraw/zinc/42/34/71/711423471.db2.gz OXWDXISEIWWLGY-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1COCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000399249398 711426157 /nfs/dbraw/zinc/42/61/57/711426157.db2.gz FDRLPQMYROVELQ-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H](OC)C2)CC[C@@H]1[NH3+] ZINC000721910748 710691936 /nfs/dbraw/zinc/69/19/36/710691936.db2.gz YLSAMDBBCMMBOZ-NDBYEHHHSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000398579713 710910305 /nfs/dbraw/zinc/91/03/05/710910305.db2.gz SQMNRTAEYSJFMX-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]([NH2+]CCc1ccnn1C)[C@@H]1CCCC[NH2+]1 ZINC000385965651 711021289 /nfs/dbraw/zinc/02/12/89/711021289.db2.gz GBHFBJACPNWVEZ-AAEUAGOBSA-N 2 1 236.363 1.083 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CCO ZINC000396698881 711367135 /nfs/dbraw/zinc/36/71/35/711367135.db2.gz MRPYEBXFHMTUOQ-GHMZBOCLSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccnc1 ZINC000396648033 711362752 /nfs/dbraw/zinc/36/27/52/711362752.db2.gz KPMLIKHLYUCFKI-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP CCSCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396688165 711364185 /nfs/dbraw/zinc/36/41/85/711364185.db2.gz YBJRIPNRBYGGDZ-QWRGUYRKSA-N 2 1 216.394 1.860 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000396677559 711364297 /nfs/dbraw/zinc/36/42/97/711364297.db2.gz UIESNTGEWLZANM-NEPJUHHUSA-N 2 1 228.380 1.515 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396711682 711366462 /nfs/dbraw/zinc/36/64/62/711366462.db2.gz RCFMYWOFEQKQKG-NWDGAFQWSA-N 2 1 213.369 1.057 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCn1cccn1 ZINC000396732383 711368861 /nfs/dbraw/zinc/36/88/61/711368861.db2.gz ZJQIUIFNHDEJAT-VXGBXAGGSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@H]1C[N@H+](CCCOC(F)(F)F)CC[C@@H]1[NH3+] ZINC000398135481 711402064 /nfs/dbraw/zinc/40/20/64/711402064.db2.gz ALFSLIDLJZRPJW-IUCAKERBSA-N 2 1 240.269 1.582 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1CCOC1 ZINC000399572318 711431728 /nfs/dbraw/zinc/43/17/28/711431728.db2.gz JECIQBNLOIVTEJ-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP c1coc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000383190463 711459711 /nfs/dbraw/zinc/45/97/11/711459711.db2.gz RUIAAECMHRVNMX-GOCOPAARSA-N 2 1 232.327 1.408 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CF)C2)CC[NH2+]1 ZINC000711467073 711462494 /nfs/dbraw/zinc/46/24/94/711462494.db2.gz SIGXCGTWOFYKRH-UTUOFQBUSA-N 2 1 214.328 1.666 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721439878 711476348 /nfs/dbraw/zinc/47/63/48/711476348.db2.gz ZZBBAYYRZKJBDN-RKDXNWHRSA-N 2 1 240.269 1.377 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000723121341 711505975 /nfs/dbraw/zinc/50/59/75/711505975.db2.gz JLLLYCRDMODAJQ-USZNOCQGSA-N 2 1 212.337 1.081 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000723121341 711505976 /nfs/dbraw/zinc/50/59/76/711505976.db2.gz JLLLYCRDMODAJQ-USZNOCQGSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)on1 ZINC000723884219 711543276 /nfs/dbraw/zinc/54/32/76/711543276.db2.gz RJIURWMQPWHUTL-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893309 711544289 /nfs/dbraw/zinc/54/42/89/711544289.db2.gz XQJMWZPCLOWKSG-VXGBXAGGSA-N 2 1 236.363 1.320 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCC[NH2+]C1CC1 ZINC000724177178 711566995 /nfs/dbraw/zinc/56/69/95/711566995.db2.gz BULJQMNRPBEHRN-VXGBXAGGSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1[nH]c(CN2CCC([NH+](C)C)CC2)c(C)[nH+]1 ZINC000724780602 711613924 /nfs/dbraw/zinc/61/39/24/711613924.db2.gz DPRHFSNCHDBAAW-UHFFFAOYSA-N 2 1 236.363 1.553 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(C)[nH+]1 ZINC000724791556 711614790 /nfs/dbraw/zinc/61/47/90/711614790.db2.gz YIZDHLBCXFAUTD-KBPBESRZSA-N 2 1 248.374 1.695 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(C)[nH+]1 ZINC000724791556 711614792 /nfs/dbraw/zinc/61/47/92/711614792.db2.gz YIZDHLBCXFAUTD-KBPBESRZSA-N 2 1 248.374 1.695 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CCC[NH2+]C1 ZINC000724829457 711616932 /nfs/dbraw/zinc/61/69/32/711616932.db2.gz KRVZENSTFZWRSZ-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP CCCCOCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725037020 711645550 /nfs/dbraw/zinc/64/55/50/711645550.db2.gz RXSHBWGTHCWINQ-UHFFFAOYSA-N 2 1 244.379 1.243 20 0 BDADMP CCCCOCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725037020 711645551 /nfs/dbraw/zinc/64/55/51/711645551.db2.gz RXSHBWGTHCWINQ-UHFFFAOYSA-N 2 1 244.379 1.243 20 0 BDADMP COCCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396561889 711701913 /nfs/dbraw/zinc/70/19/13/711701913.db2.gz IGBOVNGPTOCYEA-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP CC(C)COCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396689083 711703190 /nfs/dbraw/zinc/70/31/90/711703190.db2.gz ZQAMFEGNBYFYKM-CHWSQXEVSA-N 2 1 228.380 1.779 20 0 BDADMP Cc1nccn1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439067 711713183 /nfs/dbraw/zinc/71/31/83/711713183.db2.gz MSYTYGMUNYWMNU-KGLIPLIRSA-N 2 1 248.374 1.075 20 0 BDADMP Cc1nccn1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439067 711713184 /nfs/dbraw/zinc/71/31/84/711713184.db2.gz MSYTYGMUNYWMNU-KGLIPLIRSA-N 2 1 248.374 1.075 20 0 BDADMP Cc1nccn1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439067 711713187 /nfs/dbraw/zinc/71/31/87/711713187.db2.gz MSYTYGMUNYWMNU-KGLIPLIRSA-N 2 1 248.374 1.075 20 0 BDADMP COC[C@H](C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C(C)C ZINC000721768957 711768731 /nfs/dbraw/zinc/76/87/31/711768731.db2.gz NPOHSLXEKLIXDU-BFHYXJOUSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C(C)C ZINC000721768957 711768732 /nfs/dbraw/zinc/76/87/32/711768732.db2.gz NPOHSLXEKLIXDU-BFHYXJOUSA-N 2 1 240.391 1.731 20 0 BDADMP CCc1nc(N[C@@H]2C[NH2+]CC2(C)C)cc(C)[nH+]1 ZINC000721866746 711792350 /nfs/dbraw/zinc/79/23/50/711792350.db2.gz QOCDZKTXYSUMBI-SNVBAGLBSA-N 2 1 234.347 1.757 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000160068801 711805414 /nfs/dbraw/zinc/80/54/14/711805414.db2.gz JHDRJJPECPUZNH-LLVKDONJSA-N 2 1 222.336 1.074 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925473661 711878851 /nfs/dbraw/zinc/87/88/51/711878851.db2.gz NWXRYPJMMRHPPA-QWHCGFSZSA-N 3 1 248.374 1.441 20 0 BDADMP COC[C@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C(C)C ZINC000721917859 711919385 /nfs/dbraw/zinc/91/93/85/711919385.db2.gz JSQKVZQSVLQSHD-MELADBBJSA-N 2 1 240.391 1.446 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1C ZINC000156301260 711938314 /nfs/dbraw/zinc/93/83/14/711938314.db2.gz VQDYKPIHOHQMRG-NEPJUHHUSA-N 2 1 226.364 1.364 20 0 BDADMP C[N@H+](Cc1cnccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000700078114 711985821 /nfs/dbraw/zinc/98/58/21/711985821.db2.gz KORRQXKSMVQWDZ-YHWZYXNKSA-N 2 1 246.358 1.439 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700403415 711992035 /nfs/dbraw/zinc/99/20/35/711992035.db2.gz INRYKXFDOQSIEW-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000700793543 712005041 /nfs/dbraw/zinc/00/50/41/712005041.db2.gz RQJOFLPLRWJURF-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP CCO[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000701677195 712027093 /nfs/dbraw/zinc/02/70/93/712027093.db2.gz JOKYGZIRYYFYPX-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000701718527 712027983 /nfs/dbraw/zinc/02/79/83/712027983.db2.gz RXJMIHPRICSIEB-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000701950651 712033125 /nfs/dbraw/zinc/03/31/25/712033125.db2.gz KFBYTJRRWUTTNR-GUBZILKMSA-N 2 1 218.291 1.762 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC000702076687 712037997 /nfs/dbraw/zinc/03/79/97/712037997.db2.gz FKNSXCFWUMYXKF-ZDEQEGDKSA-N 2 1 224.348 1.082 20 0 BDADMP CSC(C)(C)CC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702592708 712056480 /nfs/dbraw/zinc/05/64/80/712056480.db2.gz BTOGLZTXLLXRID-LBPRGKRZSA-N 2 1 246.420 1.174 20 0 BDADMP CSC(C)(C)CC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702592708 712056482 /nfs/dbraw/zinc/05/64/82/712056482.db2.gz BTOGLZTXLLXRID-LBPRGKRZSA-N 2 1 246.420 1.174 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000703931589 712094732 /nfs/dbraw/zinc/09/47/32/712094732.db2.gz QUWYDLRGRWAANJ-JTQLQIEISA-N 2 1 239.750 1.906 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000703931590 712095468 /nfs/dbraw/zinc/09/54/68/712095468.db2.gz QUWYDLRGRWAANJ-SNVBAGLBSA-N 2 1 239.750 1.906 20 0 BDADMP COc1cncc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000704207343 712101433 /nfs/dbraw/zinc/10/14/33/712101433.db2.gz MJBVIELFZYJIIE-WCQYABFASA-N 2 1 249.358 1.663 20 0 BDADMP COc1cncc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000704207343 712101434 /nfs/dbraw/zinc/10/14/34/712101434.db2.gz MJBVIELFZYJIIE-WCQYABFASA-N 2 1 249.358 1.663 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000707632869 712176144 /nfs/dbraw/zinc/17/61/44/712176144.db2.gz CCDKOWLBXVGUJH-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708322818 712187076 /nfs/dbraw/zinc/18/70/76/712187076.db2.gz HTLNNJBODGNBGS-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000708332142 712187960 /nfs/dbraw/zinc/18/79/60/712187960.db2.gz PMQHDYGCKXYEMX-RYUDHWBXSA-N 2 1 226.364 1.472 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000708334275 712188539 /nfs/dbraw/zinc/18/85/39/712188539.db2.gz YONPXMBQMGMQHN-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708348308 712189994 /nfs/dbraw/zinc/18/99/94/712189994.db2.gz MLFOAIQXHICKMT-JHJVBQTASA-N 2 1 240.391 1.718 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000708371707 712190684 /nfs/dbraw/zinc/19/06/84/712190684.db2.gz ZBUFYAAXGKJCIF-LBPRGKRZSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])CC(C)(C)C ZINC000709133221 712209774 /nfs/dbraw/zinc/20/97/74/712209774.db2.gz YMHTUMKOUQUNEM-MNOVXSKESA-N 2 1 216.369 1.310 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000709508727 712223366 /nfs/dbraw/zinc/22/33/66/712223366.db2.gz KRDYHGLOWQVTCC-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@]1(C(F)(F)F)CC[N@@H+](CCOCC[NH3+])C1 ZINC000709637963 712226103 /nfs/dbraw/zinc/22/61/03/712226103.db2.gz NAHWTJWJPGBBTD-VIFPVBQESA-N 2 1 240.269 1.236 20 0 BDADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CCOCC[NH3+])C1 ZINC000709637962 712226391 /nfs/dbraw/zinc/22/63/91/712226391.db2.gz NAHWTJWJPGBBTD-SECBINFHSA-N 2 1 240.269 1.236 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C(F)(F)F ZINC000709796784 712227352 /nfs/dbraw/zinc/22/73/52/712227352.db2.gz ZDAWAWPBVWRCHG-NXEZZACHSA-N 2 1 236.281 1.856 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000709823592 712228692 /nfs/dbraw/zinc/22/86/92/712228692.db2.gz PYRHQTHBAOSFJA-MJBXVCDLSA-N 2 1 216.328 1.998 20 0 BDADMP CCCNC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710756980 712256621 /nfs/dbraw/zinc/25/66/21/712256621.db2.gz AQTMUBWYQSYQHC-LBPRGKRZSA-N 2 1 243.395 1.352 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC[C@H]1CCOC1 ZINC000710781947 712256743 /nfs/dbraw/zinc/25/67/43/712256743.db2.gz QEBFSSNVOIFLLO-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1N ZINC000711083263 712278826 /nfs/dbraw/zinc/27/88/26/712278826.db2.gz UBGLBTGGZJJULB-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000711106655 712280732 /nfs/dbraw/zinc/28/07/32/712280732.db2.gz GULXXJZBNJRJTB-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP FC[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000711417782 712299091 /nfs/dbraw/zinc/29/90/91/712299091.db2.gz UCOKXKJHDHMZPS-GHMZBOCLSA-N 2 1 200.301 1.277 20 0 BDADMP FC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000711443568 712301051 /nfs/dbraw/zinc/30/10/51/712301051.db2.gz MWGHIYCOWGNNQZ-WDEREUQCSA-N 2 1 200.301 1.277 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711734113 712321209 /nfs/dbraw/zinc/32/12/09/712321209.db2.gz YHZCOBCERANOFQ-GHMZBOCLSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](CCOC1CC1)CC(C)(C)C[NH3+] ZINC000711751425 712323776 /nfs/dbraw/zinc/32/37/76/712323776.db2.gz DYULTEZBPHKUMK-UHFFFAOYSA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000379007783 712367679 /nfs/dbraw/zinc/36/76/79/712367679.db2.gz IFYCWOKJZFYWCS-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](CO)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000379007783 712367681 /nfs/dbraw/zinc/36/76/81/712367681.db2.gz IFYCWOKJZFYWCS-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CCc2cccnc21)C[NH+](C)C ZINC000379789373 712399276 /nfs/dbraw/zinc/39/92/76/712399276.db2.gz JRAQZHTWHNPCFZ-WCQYABFASA-N 2 1 233.359 1.856 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712437758 712429753 /nfs/dbraw/zinc/42/97/53/712429753.db2.gz KMTXIOMAPWBPQT-QWHCGFSZSA-N 2 1 238.375 1.759 20 0 BDADMP CCN1CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000712584366 712434239 /nfs/dbraw/zinc/43/42/39/712434239.db2.gz YDKFBFKFRIRUGU-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP CC[N@@H+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000712584366 712434240 /nfs/dbraw/zinc/43/42/40/712434240.db2.gz YDKFBFKFRIRUGU-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP CC[N@H+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000712584366 712434241 /nfs/dbraw/zinc/43/42/41/712434241.db2.gz YDKFBFKFRIRUGU-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP CC[NH+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000712584366 712434242 /nfs/dbraw/zinc/43/42/42/712434242.db2.gz YDKFBFKFRIRUGU-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP CC[NH+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000712584366 712434243 /nfs/dbraw/zinc/43/42/43/712434243.db2.gz YDKFBFKFRIRUGU-GSPSYOTPSA-N 2 1 237.391 1.295 20 0 BDADMP CCN1CC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000712583283 712434285 /nfs/dbraw/zinc/43/42/85/712434285.db2.gz UEVOPVAHHFTHFW-CQSZACIVSA-N 2 1 237.391 1.297 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712533989 712442150 /nfs/dbraw/zinc/44/21/50/712442150.db2.gz RSAIQCDVUDJHME-CHWSQXEVSA-N 2 1 238.375 1.759 20 0 BDADMP COCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713176998 712453231 /nfs/dbraw/zinc/45/32/31/712453231.db2.gz SUHWIWRQJNJLIV-UHFFFAOYSA-N 2 1 212.337 1.241 20 0 BDADMP OCCCCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713156615 712453334 /nfs/dbraw/zinc/45/33/34/712453334.db2.gz FMQJFOBHZSALCV-UHFFFAOYSA-N 2 1 240.391 1.757 20 0 BDADMP COCCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713192470 712454426 /nfs/dbraw/zinc/45/44/26/712454426.db2.gz XXDLMGGRXWCBAW-UHFFFAOYSA-N 2 1 226.364 1.631 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000714607174 712488212 /nfs/dbraw/zinc/48/82/12/712488212.db2.gz VMGYQAGMNXPKJI-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000714607173 712488348 /nfs/dbraw/zinc/48/83/48/712488348.db2.gz VMGYQAGMNXPKJI-XUXIUFHCSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000716803540 712575417 /nfs/dbraw/zinc/57/54/17/712575417.db2.gz VKHYKZLQQJTJFO-XQHKEYJVSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000716803540 712575418 /nfs/dbraw/zinc/57/54/18/712575418.db2.gz VKHYKZLQQJTJFO-XQHKEYJVSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000717370392 712652387 /nfs/dbraw/zinc/65/23/87/712652387.db2.gz CZIQWUIOCRVRHM-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000717370399 712652420 /nfs/dbraw/zinc/65/24/20/712652420.db2.gz CZIQWUIOCRVRHM-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCO ZINC000380028368 712683081 /nfs/dbraw/zinc/68/30/81/712683081.db2.gz ZMLAVHKPKNSHJS-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCO ZINC000380028368 712683083 /nfs/dbraw/zinc/68/30/83/712683083.db2.gz ZMLAVHKPKNSHJS-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP COC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000158948634 712722385 /nfs/dbraw/zinc/72/23/85/712722385.db2.gz CHCKGXJDISCVIQ-YOGCLGLASA-N 2 1 226.364 1.626 20 0 BDADMP CC(F)(F)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000718721327 712778775 /nfs/dbraw/zinc/77/87/75/712778775.db2.gz GJSLTZAEDARGBZ-AOOOYVTPSA-N 2 1 218.291 1.573 20 0 BDADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000038087902 712806794 /nfs/dbraw/zinc/80/67/94/712806794.db2.gz WDYDXIYSZAJWLF-ODWCKFRGSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1C ZINC000719627772 712814841 /nfs/dbraw/zinc/81/48/41/712814841.db2.gz WQSIHZQAWRNFCZ-XQHKEYJVSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1[C@@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000719627772 712814845 /nfs/dbraw/zinc/81/48/45/712814845.db2.gz WQSIHZQAWRNFCZ-XQHKEYJVSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000719627772 712814847 /nfs/dbraw/zinc/81/48/47/712814847.db2.gz WQSIHZQAWRNFCZ-XQHKEYJVSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000719829702 712824017 /nfs/dbraw/zinc/82/40/17/712824017.db2.gz CFOKNPCSPWMWIG-UWVGGRQHSA-N 2 1 225.361 1.355 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719824171 712824083 /nfs/dbraw/zinc/82/40/83/712824083.db2.gz ZXMURKDOCKXGSE-FJCXZIGKSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000719784807 712824359 /nfs/dbraw/zinc/82/43/59/712824359.db2.gz YZUSZZUQSSPZJJ-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CCCCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250814942 712834555 /nfs/dbraw/zinc/83/45/55/712834555.db2.gz ISOKXSLXSBWDRH-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250814942 712834556 /nfs/dbraw/zinc/83/45/56/712834556.db2.gz ISOKXSLXSBWDRH-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)nnc2C)C1 ZINC000720582260 712854073 /nfs/dbraw/zinc/85/40/73/712854073.db2.gz KDSRZRZGIDUKDP-LBPRGKRZSA-N 2 1 234.347 1.135 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)nnc2C)C1 ZINC000720582260 712854075 /nfs/dbraw/zinc/85/40/75/712854075.db2.gz KDSRZRZGIDUKDP-LBPRGKRZSA-N 2 1 234.347 1.135 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)nn1 ZINC000720583305 712854544 /nfs/dbraw/zinc/85/45/44/712854544.db2.gz PPBIGFFEVKVWGS-IINYFYTJSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)nn1 ZINC000720583305 712854545 /nfs/dbraw/zinc/85/45/45/712854545.db2.gz PPBIGFFEVKVWGS-IINYFYTJSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720583304 712854689 /nfs/dbraw/zinc/85/46/89/712854689.db2.gz PPBIGFFEVKVWGS-HZMBPMFUSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720583304 712854690 /nfs/dbraw/zinc/85/46/90/712854690.db2.gz PPBIGFFEVKVWGS-HZMBPMFUSA-N 2 1 248.374 1.510 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720835784 712869275 /nfs/dbraw/zinc/86/92/75/712869275.db2.gz MXNKNBDNRTYEJK-UBHSHLNASA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[C@H]1[NH3+] ZINC000720848199 712870554 /nfs/dbraw/zinc/87/05/54/712870554.db2.gz UDVVYUYHFYZERJ-HTOAHKCRSA-N 2 1 238.375 1.613 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720870116 712872187 /nfs/dbraw/zinc/87/21/87/712872187.db2.gz KSIDIFVOUSNYPN-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720870116 712872188 /nfs/dbraw/zinc/87/21/88/712872188.db2.gz KSIDIFVOUSNYPN-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000720876201 712872978 /nfs/dbraw/zinc/87/29/78/712872978.db2.gz ZJNNZLKODSESOO-RWMBFGLXSA-N 2 1 240.391 1.861 20 0 BDADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCCC[NH3+] ZINC000720890421 712875364 /nfs/dbraw/zinc/87/53/64/712875364.db2.gz BKLZIJQXQSUMHU-KBPBESRZSA-N 2 1 239.407 1.674 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(N)cc[nH+]1 ZINC001164632160 719149738 /nfs/dbraw/zinc/14/97/38/719149738.db2.gz PXFBQEHTOSRWBC-VHSXEESVSA-N 2 1 220.320 1.193 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1N ZINC001164638107 719229916 /nfs/dbraw/zinc/22/99/16/719229916.db2.gz NFYUKROZCKPCQO-MNOVXSKESA-N 2 1 234.347 1.501 20 0 BDADMP Cc1cc(C)[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC001164668557 719371780 /nfs/dbraw/zinc/37/17/80/719371780.db2.gz OLQPVDWUAKGUPD-CHWSQXEVSA-N 2 1 247.342 1.218 20 0 BDADMP Cc1cc(C)[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC001164668557 719371782 /nfs/dbraw/zinc/37/17/82/719371782.db2.gz OLQPVDWUAKGUPD-CHWSQXEVSA-N 2 1 247.342 1.218 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000707201873 958402637 /nfs/dbraw/zinc/40/26/37/958402637.db2.gz VUOVNRNQOXNVEW-VXGBXAGGSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000382670593 958713768 /nfs/dbraw/zinc/71/37/68/958713768.db2.gz YJCQQWRVFAFFBY-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000724153701 958738723 /nfs/dbraw/zinc/73/87/23/958738723.db2.gz SPPVRXJKCHZJSL-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000382670593 958713772 /nfs/dbraw/zinc/71/37/72/958713772.db2.gz YJCQQWRVFAFFBY-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CCN(CC(C)(C)C[NH+](C)C)C1C[NH+](C)C1 ZINC001207287800 958885320 /nfs/dbraw/zinc/88/53/20/958885320.db2.gz FWJBQDNJEGAVAE-UHFFFAOYSA-N 2 1 227.396 1.210 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000300038225 959827730 /nfs/dbraw/zinc/82/77/30/959827730.db2.gz FCQNOVKGRDTLTP-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@@]1([NH2+]CC[C@H]2CCC[N@H+]2C)CCOC1 ZINC000393753663 959898410 /nfs/dbraw/zinc/89/84/10/959898410.db2.gz UVKDXRGBLSUQHL-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309377645 959898694 /nfs/dbraw/zinc/89/86/94/959898694.db2.gz GBAAKEUKADEIHS-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309377645 959898702 /nfs/dbraw/zinc/89/87/02/959898702.db2.gz GBAAKEUKADEIHS-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000300053999 960893970 /nfs/dbraw/zinc/89/39/70/960893970.db2.gz UZTQPNUKBHUDPH-CHWSQXEVSA-N 2 1 228.380 1.576 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167894960 961510513 /nfs/dbraw/zinc/51/05/13/961510513.db2.gz QHRCRZLSFJGGGY-GDNZZTSVSA-N 2 1 205.305 1.580 20 0 BDADMP CCOc1cc[nH+]c(N[C@H](C)C[NH+](C)C)c1 ZINC001155916610 963202568 /nfs/dbraw/zinc/20/25/68/963202568.db2.gz OUVVUFQICLPWEZ-SNVBAGLBSA-N 2 1 223.320 1.842 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001168313368 964422876 /nfs/dbraw/zinc/42/28/76/964422876.db2.gz AMSJTKKOYTXNHR-TUUUFIMRSA-N 2 1 244.354 1.264 20 0 BDADMP CC[C@H]1COCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000829274239 965611740 /nfs/dbraw/zinc/61/17/40/965611740.db2.gz BKPGEYNJJVTINN-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H]1COCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000829274239 965611749 /nfs/dbraw/zinc/61/17/49/965611749.db2.gz BKPGEYNJJVTINN-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+](CCCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236004061 966225688 /nfs/dbraw/zinc/22/56/88/966225688.db2.gz CGKHFHUSQFNVBN-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP CC[N@@H+](CCCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236004061 966225701 /nfs/dbraw/zinc/22/57/01/966225701.db2.gz CGKHFHUSQFNVBN-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209688 967429181 /nfs/dbraw/zinc/42/91/81/967429181.db2.gz JWPXLDALLGVCAU-QWHCGFSZSA-N 2 1 228.380 1.598 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cn[nH]c2)CC1 ZINC001205546774 967692875 /nfs/dbraw/zinc/69/28/75/967692875.db2.gz YRARCHIGMDRYLO-LLVKDONJSA-N 2 1 226.299 1.063 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCC[C@@H]1C[NH3+] ZINC001205985619 967936312 /nfs/dbraw/zinc/93/63/12/967936312.db2.gz YZOUREBUGYTQEL-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnco2)CC1 ZINC001206310882 968218462 /nfs/dbraw/zinc/21/84/62/968218462.db2.gz DVSALUNRNMKKBH-LBPRGKRZSA-N 2 1 223.320 1.626 20 0 BDADMP C[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001251963149 968401778 /nfs/dbraw/zinc/40/17/78/968401778.db2.gz UGXCKYVUMPBZAS-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001251963149 968401787 /nfs/dbraw/zinc/40/17/87/968401787.db2.gz UGXCKYVUMPBZAS-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001251963149 968401796 /nfs/dbraw/zinc/40/17/96/968401796.db2.gz UGXCKYVUMPBZAS-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)O)C[C@@H]2C1 ZINC001252355449 968634814 /nfs/dbraw/zinc/63/48/14/968634814.db2.gz IJHLCBYSRDBWJR-TXEJJXNPSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)O)C[C@@H]2C1 ZINC001252355449 968634818 /nfs/dbraw/zinc/63/48/18/968634818.db2.gz IJHLCBYSRDBWJR-TXEJJXNPSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](CC(C)(C)O)C[C@@H]2C1 ZINC001252355449 968634831 /nfs/dbraw/zinc/63/48/31/968634831.db2.gz IJHLCBYSRDBWJR-TXEJJXNPSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@@H]1O ZINC001207436368 968768290 /nfs/dbraw/zinc/76/82/90/968768290.db2.gz IUGPLQGYGYEBIF-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1C=CCCC1 ZINC001253211830 969114035 /nfs/dbraw/zinc/11/40/35/969114035.db2.gz KUUYYMHIONSIBB-CHWSQXEVSA-N 2 1 226.364 1.387 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001208597716 969151705 /nfs/dbraw/zinc/15/17/05/969151705.db2.gz LKBWFQBAYKFRJP-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCC(=O)CC2)CC1 ZINC001208596089 969151903 /nfs/dbraw/zinc/15/19/03/969151903.db2.gz BFYPYRUWFNVKHS-UHFFFAOYSA-N 2 1 238.375 1.773 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCSCC2)C1 ZINC001208606870 969163814 /nfs/dbraw/zinc/16/38/14/969163814.db2.gz IFQNJSBJOJVDEL-NSHDSACASA-N 2 1 214.378 1.377 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCSCC2)C1 ZINC001208606870 969163818 /nfs/dbraw/zinc/16/38/18/969163818.db2.gz IFQNJSBJOJVDEL-NSHDSACASA-N 2 1 214.378 1.377 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CCC[C@H]1O ZINC001208608686 969164580 /nfs/dbraw/zinc/16/45/80/969164580.db2.gz VSDCXUYWWTWFSS-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CCC[C@H]1O ZINC001208608686 969164585 /nfs/dbraw/zinc/16/45/85/969164585.db2.gz VSDCXUYWWTWFSS-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CCC[C@H]1O ZINC001208608686 969164593 /nfs/dbraw/zinc/16/45/93/969164593.db2.gz VSDCXUYWWTWFSS-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208609221 969167092 /nfs/dbraw/zinc/16/70/92/969167092.db2.gz ZHNUHLZMXUMVKS-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208609221 969167099 /nfs/dbraw/zinc/16/70/99/969167099.db2.gz ZHNUHLZMXUMVKS-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208609221 969167103 /nfs/dbraw/zinc/16/71/03/969167103.db2.gz ZHNUHLZMXUMVKS-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208609221 969167110 /nfs/dbraw/zinc/16/71/10/969167110.db2.gz ZHNUHLZMXUMVKS-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CCC[C@H]1O ZINC001208608691 969167269 /nfs/dbraw/zinc/16/72/69/969167269.db2.gz VSDCXUYWWTWFSS-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CCC[C@H]1O ZINC001208608691 969167273 /nfs/dbraw/zinc/16/72/73/969167273.db2.gz VSDCXUYWWTWFSS-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CCC[C@H]1O ZINC001208608691 969167277 /nfs/dbraw/zinc/16/72/77/969167277.db2.gz VSDCXUYWWTWFSS-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](C[N@H+]1CCc2[nH+]ccn2CC1)C(F)(F)F ZINC001208890378 969274065 /nfs/dbraw/zinc/27/40/65/969274065.db2.gz FDRJOJKJHIPICS-SECBINFHSA-N 2 1 247.264 1.940 20 0 BDADMP C[C@H](C[N@@H+]1CCc2[nH+]ccn2CC1)C(F)(F)F ZINC001208890378 969274074 /nfs/dbraw/zinc/27/40/74/969274074.db2.gz FDRJOJKJHIPICS-SECBINFHSA-N 2 1 247.264 1.940 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000723471705 969317920 /nfs/dbraw/zinc/31/79/20/969317920.db2.gz JHXHBCMGSPQUHV-RMPHRYRLSA-N 2 1 212.337 1.221 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1COC1)C2 ZINC001169100331 969389934 /nfs/dbraw/zinc/38/99/34/969389934.db2.gz JGYCYLRLBLXJHX-CLLJXQQHSA-N 2 1 224.348 1.238 20 0 BDADMP CCC[N@H+](CCOC)C1CC[NH+](CC)CC1 ZINC001169244105 969530157 /nfs/dbraw/zinc/53/01/57/969530157.db2.gz BCYYVIIGVHQGOZ-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CCC[N@@H+](CCOC)C1CC[NH+](CC)CC1 ZINC001169244105 969530169 /nfs/dbraw/zinc/53/01/69/969530169.db2.gz BCYYVIIGVHQGOZ-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC[N@@H+](Cc1c[nH+]ccc1N)CC(C)(C)O ZINC001209738202 969600478 /nfs/dbraw/zinc/60/04/78/969600478.db2.gz VTFBGPOFMRQHJY-UHFFFAOYSA-N 2 1 223.320 1.087 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccnnc2)CC1 ZINC001254501590 969650724 /nfs/dbraw/zinc/65/07/24/969650724.db2.gz VWUFGUOJAKHWQC-GFCCVEGCSA-N 2 1 220.320 1.051 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccnnc2)CC1 ZINC001254501590 969650735 /nfs/dbraw/zinc/65/07/35/969650735.db2.gz VWUFGUOJAKHWQC-GFCCVEGCSA-N 2 1 220.320 1.051 20 0 BDADMP C[C@H]([NH3+])c1ccn([C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001254506013 969675105 /nfs/dbraw/zinc/67/51/05/969675105.db2.gz NLRCCNDLGTWHEM-WDEREUQCSA-N 2 1 222.336 1.560 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517632 969700733 /nfs/dbraw/zinc/70/07/33/969700733.db2.gz XNXTWMDXKVAFHG-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]([C@@H]1CCOC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522052 969702044 /nfs/dbraw/zinc/70/20/44/969702044.db2.gz BCOUGOBFKZCYOA-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]([C@@H]1CCOC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522052 969702054 /nfs/dbraw/zinc/70/20/54/969702054.db2.gz BCOUGOBFKZCYOA-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]([C@@H]1CCOC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522052 969702067 /nfs/dbraw/zinc/70/20/67/969702067.db2.gz BCOUGOBFKZCYOA-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCCC23COC3)CC1 ZINC001254524251 969707099 /nfs/dbraw/zinc/70/70/99/969707099.db2.gz VQIUBUHSKDVGOX-LBPRGKRZSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCC23COC3)CC1 ZINC001254524251 969707102 /nfs/dbraw/zinc/70/71/02/969707102.db2.gz VQIUBUHSKDVGOX-LBPRGKRZSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC23COC3)CC1 ZINC001254524251 969707107 /nfs/dbraw/zinc/70/71/07/969707107.db2.gz VQIUBUHSKDVGOX-LBPRGKRZSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCC23COC3)CC1 ZINC001254524251 969707115 /nfs/dbraw/zinc/70/71/15/969707115.db2.gz VQIUBUHSKDVGOX-LBPRGKRZSA-N 2 1 224.348 1.336 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255292675 970053991 /nfs/dbraw/zinc/05/39/91/970053991.db2.gz HULZVRPQVCRDOR-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255292675 970054000 /nfs/dbraw/zinc/05/40/00/970054000.db2.gz HULZVRPQVCRDOR-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255292675 970054010 /nfs/dbraw/zinc/05/40/10/970054010.db2.gz HULZVRPQVCRDOR-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C1C[NH+](C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC001255296756 970059386 /nfs/dbraw/zinc/05/93/86/970059386.db2.gz VVLZUHNUUHFOOQ-LBPRGKRZSA-N 2 1 226.389 1.662 20 0 BDADMP C[C@H]1CC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001170103099 970294372 /nfs/dbraw/zinc/29/43/72/970294372.db2.gz XKWNBUMGJWOIGM-HBNTYKKESA-N 2 1 223.320 1.106 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC001255939178 970570253 /nfs/dbraw/zinc/57/02/53/970570253.db2.gz CZFCQCJPRUOMLD-CYBMUJFWSA-N 3 1 229.412 1.648 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC001255949984 970583042 /nfs/dbraw/zinc/58/30/42/970583042.db2.gz DLTPTNKSCYLQCR-NEPJUHHUSA-N 3 1 215.385 1.291 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000400630452 970611034 /nfs/dbraw/zinc/61/10/34/970611034.db2.gz RKGMKALYWOSQSK-VXGBXAGGSA-N 2 1 212.337 1.084 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@](C)(CO)CC2)CC1 ZINC001256202669 970707391 /nfs/dbraw/zinc/70/73/91/970707391.db2.gz KOTUWNPNDVEBGU-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@](C)(CO)CC2)CC1 ZINC001256202669 970707398 /nfs/dbraw/zinc/70/73/98/970707398.db2.gz KOTUWNPNDVEBGU-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](CC)C[C@H]2C)C1 ZINC001173369614 975351549 /nfs/dbraw/zinc/35/15/49/975351549.db2.gz VUSCTDNWPACHME-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@H+](CC)C[C@H]2C)C1 ZINC001173369614 975351556 /nfs/dbraw/zinc/35/15/56/975351556.db2.gz VUSCTDNWPACHME-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](CC)C[C@H]2C)C1 ZINC001173369614 975351558 /nfs/dbraw/zinc/35/15/58/975351558.db2.gz VUSCTDNWPACHME-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC001333218058 975566699 /nfs/dbraw/zinc/56/66/99/975566699.db2.gz FVMWNFTYRVKJRL-HTQZYQBOSA-N 2 1 222.292 1.002 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001334337456 976453642 /nfs/dbraw/zinc/45/36/42/976453642.db2.gz JVZDTKYTFWCROP-OLZOCXBDSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001336050912 977460172 /nfs/dbraw/zinc/46/01/72/977460172.db2.gz JVFKTBTWERHXDG-FIQHERPVSA-N 2 1 226.364 1.218 20 0 BDADMP CC1(C)CC[N@@H+](CCNc2cc[nH+]cc2)C1 ZINC001337742680 978478770 /nfs/dbraw/zinc/47/87/70/978478770.db2.gz HNWVSQICNZDWNJ-UHFFFAOYSA-N 2 1 219.332 1.647 20 0 BDADMP CCOCC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277856899 978836311 /nfs/dbraw/zinc/83/63/11/978836311.db2.gz XDFTYBARAWUPLK-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCO1 ZINC001180540397 978902194 /nfs/dbraw/zinc/90/21/94/978902194.db2.gz LFELQMCWBKHURE-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C1=CC[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073541 978970107 /nfs/dbraw/zinc/97/01/07/978970107.db2.gz CITILGGTIOMYIS-JHJVBQTASA-N 2 1 206.333 1.779 20 0 BDADMP C1=CC[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073541 978970110 /nfs/dbraw/zinc/97/01/10/978970110.db2.gz CITILGGTIOMYIS-JHJVBQTASA-N 2 1 206.333 1.779 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191662 978991184 /nfs/dbraw/zinc/99/11/84/978991184.db2.gz UXCYZERSNNJFCD-UHFFFAOYSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191662 978991189 /nfs/dbraw/zinc/99/11/89/978991189.db2.gz UXCYZERSNNJFCD-UHFFFAOYSA-N 3 1 225.380 1.333 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001235734365 979139223 /nfs/dbraw/zinc/13/92/23/979139223.db2.gz BKWLYXUVNYPRLZ-YPMHNXCESA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001235734365 979139230 /nfs/dbraw/zinc/13/92/30/979139230.db2.gz BKWLYXUVNYPRLZ-YPMHNXCESA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001235990812 979277852 /nfs/dbraw/zinc/27/78/52/979277852.db2.gz CZUFXHMXIIIHSS-VOMCLLRMSA-N 2 1 214.328 1.938 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001235990812 979277866 /nfs/dbraw/zinc/27/78/66/979277866.db2.gz CZUFXHMXIIIHSS-VOMCLLRMSA-N 2 1 214.328 1.938 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000075151066 980481368 /nfs/dbraw/zinc/48/13/68/980481368.db2.gz VXQRKWJZZGZNLG-LLVKDONJSA-N 2 1 222.336 1.197 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205537919 980909415 /nfs/dbraw/zinc/90/94/15/980909415.db2.gz KPNXBFXHZOUXLF-OLZOCXBDSA-N 3 1 243.370 1.139 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(O)c1 ZINC001348515316 981381561 /nfs/dbraw/zinc/38/15/61/981381561.db2.gz LGENHMJWONSUDV-JTQLQIEISA-N 2 1 208.305 1.480 20 0 BDADMP CC(C)CNC(=O)C[NH2+][C@H]1CCCCC[C@@H]1N ZINC001348840940 981456101 /nfs/dbraw/zinc/45/61/01/981456101.db2.gz PCIZBAQPEKVPAB-RYUDHWBXSA-N 2 1 241.379 1.008 20 0 BDADMP CC1CCC([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000082848517 983457611 /nfs/dbraw/zinc/45/76/11/983457611.db2.gz PYCUOWJNONKJFE-MCIGGMRASA-N 2 1 212.337 1.225 20 0 BDADMP CC1CCC([N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000082848517 983457628 /nfs/dbraw/zinc/45/76/28/983457628.db2.gz PYCUOWJNONKJFE-MCIGGMRASA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001575934065 984140046 /nfs/dbraw/zinc/14/00/46/984140046.db2.gz MKWBNEPPHJGWNH-PWSUYJOCSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H](Cc1ccccn1)n1cc[nH+]c1CCC[NH3+] ZINC001256410041 970815893 /nfs/dbraw/zinc/81/58/93/970815893.db2.gz RFSBSHQLYBBUEB-GFCCVEGCSA-N 2 1 244.342 1.973 20 0 BDADMP Cc1cc(NC[C@H]2C[N@H+](C)CCO2)cc(C)[nH+]1 ZINC000305986682 970823061 /nfs/dbraw/zinc/82/30/61/970823061.db2.gz DPWPFUSFUYPEMF-ZDUSSCGKSA-N 2 1 235.331 1.441 20 0 BDADMP Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)cc(C)[nH+]1 ZINC000305986682 970823064 /nfs/dbraw/zinc/82/30/64/970823064.db2.gz DPWPFUSFUYPEMF-ZDUSSCGKSA-N 2 1 235.331 1.441 20 0 BDADMP CCOC1CCC([N@@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC001256432239 970838786 /nfs/dbraw/zinc/83/87/86/970838786.db2.gz VEIGZZFQNKONRD-HIFPTAJRSA-N 2 1 228.380 1.861 20 0 BDADMP COC[C@@H]1CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629781 970892215 /nfs/dbraw/zinc/89/22/15/970892215.db2.gz AUWLOQOHCSDFAB-FXJUQPSGSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@@H]1CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629781 970892218 /nfs/dbraw/zinc/89/22/18/970892218.db2.gz AUWLOQOHCSDFAB-FXJUQPSGSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@@H]1CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629781 970892224 /nfs/dbraw/zinc/89/22/24/970892224.db2.gz AUWLOQOHCSDFAB-FXJUQPSGSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@H]1CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629780 970894472 /nfs/dbraw/zinc/89/44/72/970894472.db2.gz AUWLOQOHCSDFAB-DAAZQVBGSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@H]1CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629780 970894478 /nfs/dbraw/zinc/89/44/78/970894478.db2.gz AUWLOQOHCSDFAB-DAAZQVBGSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@H]1CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629780 970894485 /nfs/dbraw/zinc/89/44/85/970894485.db2.gz AUWLOQOHCSDFAB-DAAZQVBGSA-N 2 1 224.348 1.332 20 0 BDADMP Cc1cc2cc[nH]c2c(NCCN(C)CC[NH3+])[nH+]1 ZINC001170498633 970980050 /nfs/dbraw/zinc/98/00/50/970980050.db2.gz WQGQQUHARWTGDV-UHFFFAOYSA-N 2 1 247.346 1.174 20 0 BDADMP [NH3+]Cc1cncn1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894273 971015158 /nfs/dbraw/zinc/01/51/58/971015158.db2.gz GMVUDNFZNPWOKW-CYBMUJFWSA-N 2 1 248.374 1.921 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001170535433 971107795 /nfs/dbraw/zinc/10/77/95/971107795.db2.gz AXYQDHKZFUUZFR-VXGBXAGGSA-N 2 1 242.363 1.212 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](CC)CO1 ZINC000404107019 971126341 /nfs/dbraw/zinc/12/63/41/971126341.db2.gz UOGSKHMQIPQOQP-RFGFWPKPSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001257213402 971127061 /nfs/dbraw/zinc/12/70/61/971127061.db2.gz MWDFHQLKSKJWTJ-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001257213402 971127066 /nfs/dbraw/zinc/12/70/66/971127066.db2.gz MWDFHQLKSKJWTJ-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[C@H](CC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257247599 971143014 /nfs/dbraw/zinc/14/30/14/971143014.db2.gz XXCNIBPXVMAHSU-WDEREUQCSA-N 2 1 230.352 1.435 20 0 BDADMP CC(C)[NH+]1CCC(OC[C@@H]2CCC[N@H+]2C)CC1 ZINC001224817573 973997600 /nfs/dbraw/zinc/99/76/00/973997600.db2.gz UJMZNGKPDHSFOZ-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405276870 971228637 /nfs/dbraw/zinc/22/86/37/971228637.db2.gz SBVRDHVSBGHYIC-GHMZBOCLSA-N 2 1 220.320 1.078 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405377422 971246084 /nfs/dbraw/zinc/24/60/84/971246084.db2.gz BTVBHCQKDSDYBP-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000405483150 971262776 /nfs/dbraw/zinc/26/27/76/971262776.db2.gz NLNHPKNTGXLEIM-CYZMBNFOSA-N 2 1 235.375 1.083 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CO[C@H]1C ZINC000405562671 971276603 /nfs/dbraw/zinc/27/66/03/971276603.db2.gz ARABXHXDVHKTKV-HPCHECBXSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)[C@H]1C ZINC000405795340 971302933 /nfs/dbraw/zinc/30/29/33/971302933.db2.gz UDTQHXDEMKETAR-AGIUHOORSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)(C)Cc1nnc([C@@H]([NH3+])CCC[NH3+])o1 ZINC001217696653 971336312 /nfs/dbraw/zinc/33/63/12/971336312.db2.gz RATCMJOAQVXZKM-QMMMGPOBSA-N 2 1 226.324 1.397 20 0 BDADMP C[C@@H]1C[C@@H]1c1nnc([C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217699116 971336402 /nfs/dbraw/zinc/33/64/02/971336402.db2.gz LGMXSDIHHROQKK-VGMNWLOBSA-N 2 1 224.308 1.322 20 0 BDADMP CC(C)(C)Cc1nnc([C@H]([NH3+])CCC[NH3+])o1 ZINC001217696652 971334867 /nfs/dbraw/zinc/33/48/67/971334867.db2.gz RATCMJOAQVXZKM-MRVPVSSYSA-N 2 1 226.324 1.397 20 0 BDADMP CC[C@H](C)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001257444434 971356949 /nfs/dbraw/zinc/35/69/49/971356949.db2.gz ISAAAMIRGKZBTJ-LBPRGKRZSA-N 2 1 244.379 1.602 20 0 BDADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nnc(C2CC2)o1 ZINC001217724373 971368051 /nfs/dbraw/zinc/36/80/51/971368051.db2.gz JHWZDDXHUUPCKX-JTQLQIEISA-N 2 1 236.319 1.337 20 0 BDADMP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@H+](C)C1 ZINC001224964334 974106422 /nfs/dbraw/zinc/10/64/22/974106422.db2.gz XJAKEFPVCZFZIX-LLVKDONJSA-N 2 1 228.336 1.891 20 0 BDADMP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@@H+](C)C1 ZINC001224964334 974106427 /nfs/dbraw/zinc/10/64/27/974106427.db2.gz XJAKEFPVCZFZIX-LLVKDONJSA-N 2 1 228.336 1.891 20 0 BDADMP CC1(CO[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC001217780790 971400261 /nfs/dbraw/zinc/40/02/61/971400261.db2.gz GMFWXMNQTFUYPC-JTQLQIEISA-N 2 1 248.317 1.390 20 0 BDADMP CCCCC[C@@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257501983 971419043 /nfs/dbraw/zinc/41/90/43/971419043.db2.gz OVIWEVXHLTUAOQ-VXGBXAGGSA-N 2 1 244.379 1.825 20 0 BDADMP CCCCC[C@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257501982 971419596 /nfs/dbraw/zinc/41/95/96/971419596.db2.gz OVIWEVXHLTUAOQ-NWDGAFQWSA-N 2 1 244.379 1.825 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217889183 971485709 /nfs/dbraw/zinc/48/57/09/971485709.db2.gz DPMASRLIEZBEQG-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC2(COC2)CC1 ZINC001257896175 971530015 /nfs/dbraw/zinc/53/00/15/971530015.db2.gz ILTNCKMTFMMJML-UHFFFAOYSA-N 2 1 249.358 1.824 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC001258011016 971552389 /nfs/dbraw/zinc/55/23/89/971552389.db2.gz GUCCHKUUESTQDV-TZMCWYRMSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001258051411 971572119 /nfs/dbraw/zinc/57/21/19/971572119.db2.gz KGUHQZLPOSSGHJ-CHWSQXEVSA-N 2 1 230.396 1.700 20 0 BDADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001258051411 971572134 /nfs/dbraw/zinc/57/21/34/971572134.db2.gz KGUHQZLPOSSGHJ-CHWSQXEVSA-N 2 1 230.396 1.700 20 0 BDADMP CC(C)[NH+]1CC(Oc2cccc(C[NH3+])c2)C1 ZINC001218192428 971625198 /nfs/dbraw/zinc/62/51/98/971625198.db2.gz ILWWAMLLHKJEEH-UHFFFAOYSA-N 2 1 220.316 1.617 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729756 971671793 /nfs/dbraw/zinc/67/17/93/971671793.db2.gz GJDWLBIQLYBQJX-WISYIIOYSA-N 2 1 210.365 1.948 20 0 BDADMP CC[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100065 974343205 /nfs/dbraw/zinc/34/32/05/974343205.db2.gz MJGGDWDNFPIDTL-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100065 974343208 /nfs/dbraw/zinc/34/32/08/974343208.db2.gz MJGGDWDNFPIDTL-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)C2 ZINC001172108048 974366649 /nfs/dbraw/zinc/36/66/49/974366649.db2.gz OLXUUFVPSQGEGD-KYGRNUTJSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)C2 ZINC001172108048 974366657 /nfs/dbraw/zinc/36/66/57/974366657.db2.gz OLXUUFVPSQGEGD-KYGRNUTJSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H]1c2ccccc2NC1(C)C ZINC001330832917 974498753 /nfs/dbraw/zinc/49/87/53/974498753.db2.gz VFEJAZAFKOHWDI-BXKDBHETSA-N 2 1 219.332 1.869 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000217560041 971827357 /nfs/dbraw/zinc/82/73/57/971827357.db2.gz LWXQQJQKJUKHST-GXTWGEPZSA-N 2 1 234.343 1.391 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCCOCC1 ZINC001170792823 971833340 /nfs/dbraw/zinc/83/33/40/971833340.db2.gz TXSNANOTDBPMGD-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCCOCC1 ZINC001170833656 971951275 /nfs/dbraw/zinc/95/12/75/971951275.db2.gz JVGJXUZFTHNWPB-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)CCO1 ZINC000310244337 971960120 /nfs/dbraw/zinc/96/01/20/971960120.db2.gz UKIFMLRUTCFIAW-CHWSQXEVSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCNc1cc(N)c(C)c[nH+]1 ZINC000310443690 971974380 /nfs/dbraw/zinc/97/43/80/971974380.db2.gz XNSCXZRFZCWLLG-UHFFFAOYSA-N 2 1 231.303 1.589 20 0 BDADMP CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860514 971983498 /nfs/dbraw/zinc/98/34/98/971983498.db2.gz CVYHYCBZLSPWOA-NEPJUHHUSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@@H]([NH3+])CCNc1nc2c(ccn2C)c[nH+]1 ZINC001170887578 972037561 /nfs/dbraw/zinc/03/75/61/972037561.db2.gz YSMHWKPWDGKCIA-MRVPVSSYSA-N 2 1 219.292 1.118 20 0 BDADMP Cn1ccc2c1cc[nH+]c2N[C@@H](N)CCC[NH3+] ZINC001159785633 972112569 /nfs/dbraw/zinc/11/25/69/972112569.db2.gz RGPWVHILWWIQOX-LLVKDONJSA-N 2 1 233.319 1.009 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246016283 972115773 /nfs/dbraw/zinc/11/57/73/972115773.db2.gz KAZHHWHGPDLMOC-QJPTWQEYSA-N 2 1 214.353 1.064 20 0 BDADMP C[NH2+]C1CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC001246091883 972145192 /nfs/dbraw/zinc/14/51/92/972145192.db2.gz QWXUKRBGTFAGBA-WXRRBKDZSA-N 2 1 225.380 1.249 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246105157 972169714 /nfs/dbraw/zinc/16/97/14/972169714.db2.gz MLKNLNPQOWKMRU-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3C[NH2+]CC34CC4)C[C@@H]21 ZINC001246131378 972187850 /nfs/dbraw/zinc/18/78/50/972187850.db2.gz JQQUMNIMCRABDS-WRWGMCAJSA-N 2 1 220.360 1.763 20 0 BDADMP C[NH+](C)Cc1ccc(CNC2CC[NH2+]CC2)cc1 ZINC001246180283 972208339 /nfs/dbraw/zinc/20/83/39/972208339.db2.gz UVIJSVLUNXOMJH-UHFFFAOYSA-N 2 1 247.386 1.590 20 0 BDADMP C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246234214 972238799 /nfs/dbraw/zinc/23/87/99/972238799.db2.gz UOTKACCROBESMM-NEPJUHHUSA-N 2 1 228.380 1.658 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@]3(CCCO3)C2)C1 ZINC001208606134 957092999 /nfs/dbraw/zinc/09/29/99/957092999.db2.gz FHDNNRJBDIHTGE-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@]3(CCCO3)C2)C1 ZINC001208606134 957093005 /nfs/dbraw/zinc/09/30/05/957093005.db2.gz FHDNNRJBDIHTGE-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@]3(CCCO3)C2)C1 ZINC001208606134 957093012 /nfs/dbraw/zinc/09/30/12/957093012.db2.gz FHDNNRJBDIHTGE-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC000692998897 957410079 /nfs/dbraw/zinc/41/00/79/957410079.db2.gz QCMFCTOMDORRBP-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000693025895 957514179 /nfs/dbraw/zinc/51/41/79/957514179.db2.gz GEOMFLJSCXFHQK-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246311655 972272920 /nfs/dbraw/zinc/27/29/20/972272920.db2.gz WYRUERQNANEPTQ-YNEHKIRRSA-N 2 1 228.380 1.371 20 0 BDADMP CC[NH+](CC)C[C@@H](C)OCC[NH+]1CCOCC1 ZINC001210206678 957672615 /nfs/dbraw/zinc/67/26/15/957672615.db2.gz IGSBZOTWIGQFJA-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246332162 972295269 /nfs/dbraw/zinc/29/52/69/972295269.db2.gz DZRVUPKGFJMNHB-RYSNWHEDSA-N 3 1 239.407 1.624 20 0 BDADMP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1CC13C[NH2+]C3)C2 ZINC001246442245 972313144 /nfs/dbraw/zinc/31/31/44/972313144.db2.gz CMRRQOYZFBDZST-GXFFZTMASA-N 2 1 232.302 1.244 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C[C@H]1C ZINC001246455073 972323614 /nfs/dbraw/zinc/32/36/14/972323614.db2.gz WREYYBAKFBUKSE-MGPQQGTHSA-N 3 1 241.423 1.729 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C[NH2+]1 ZINC001246461474 972336816 /nfs/dbraw/zinc/33/68/16/972336816.db2.gz JMBXTSXPNYXUMW-XDQVBPFNSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@]2(C)CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246464687 972339929 /nfs/dbraw/zinc/33/99/29/972339929.db2.gz SNIAJACDFCIFSS-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000693398955 958363130 /nfs/dbraw/zinc/36/31/30/958363130.db2.gz QXDMHZUSDLMQCO-YFKTTZPYSA-N 2 1 244.329 1.819 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C[NH2+]1 ZINC000399084983 958504792 /nfs/dbraw/zinc/50/47/92/958504792.db2.gz UCLOWASFDOYSHJ-DGCLKSJQSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000420959156 972355412 /nfs/dbraw/zinc/35/54/12/972355412.db2.gz FWBSCAWGECHEJH-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C1=CC[C@H](C[N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001222080906 972359483 /nfs/dbraw/zinc/35/94/83/972359483.db2.gz QCLSGDWGMWCPLY-AWEZNQCLSA-N 2 1 249.402 1.370 20 0 BDADMP CC(C)CCC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085518 972363554 /nfs/dbraw/zinc/36/35/54/972363554.db2.gz AYKCOBNEULOJOB-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[NH+]1C2CCC1CC2 ZINC000399363873 958660562 /nfs/dbraw/zinc/66/05/62/958660562.db2.gz HNGGLIBIGVPBKV-BPCQOVAHSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CC[C@]1(C)O ZINC001207276453 958848731 /nfs/dbraw/zinc/84/87/31/958848731.db2.gz WWSPKQUPOVIIOX-OCCSQVGLSA-N 2 1 242.407 1.667 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000693567779 958860486 /nfs/dbraw/zinc/86/04/86/958860486.db2.gz LOPLLQHHUYTBQV-KVVVAFMNSA-N 2 1 208.349 1.846 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCCO1 ZINC000693580035 958870544 /nfs/dbraw/zinc/87/05/44/958870544.db2.gz SFSZPOGMWHFSEB-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C12CC(C[N@H+]3CCC[C@]34CCC[NH2+]C4)(C1)C2 ZINC001222231135 972415978 /nfs/dbraw/zinc/41/59/78/972415978.db2.gz JPVHNDUHMKXIKO-RUXDESIVSA-N 3 1 235.375 1.086 20 0 BDADMP [NH3+]C12CC(CN3CCC[C@]34CCC[NH2+]C4)(C1)C2 ZINC001222231135 972415984 /nfs/dbraw/zinc/41/59/84/972415984.db2.gz JPVHNDUHMKXIKO-RUXDESIVSA-N 2 1 235.375 1.086 20 0 BDADMP C1=CO[C@H](C[N@@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001222232009 972416829 /nfs/dbraw/zinc/41/68/29/972416829.db2.gz SBTXAWYYICQTPH-KBPBESRZSA-N 2 1 236.359 1.897 20 0 BDADMP C1=CO[C@H](C[N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001222232009 972416839 /nfs/dbraw/zinc/41/68/39/972416839.db2.gz SBTXAWYYICQTPH-KBPBESRZSA-N 2 1 236.359 1.897 20 0 BDADMP Cl/C=C/C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300346343 959358425 /nfs/dbraw/zinc/35/84/25/959358425.db2.gz ZPMUIJYYQZKUCC-UJYZRXPGSA-N 2 1 214.740 1.955 20 0 BDADMP Cl/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300346343 959358442 /nfs/dbraw/zinc/35/84/42/959358442.db2.gz ZPMUIJYYQZKUCC-UJYZRXPGSA-N 2 1 214.740 1.955 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246531419 972441206 /nfs/dbraw/zinc/44/12/06/972441206.db2.gz QTXKAOSPFHXHBY-KGLIPLIRSA-N 3 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)N1CC[C@](C)([NH3+])C1 ZINC001246531419 972441212 /nfs/dbraw/zinc/44/12/12/972441212.db2.gz QTXKAOSPFHXHBY-KGLIPLIRSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246531419 972441222 /nfs/dbraw/zinc/44/12/22/972441222.db2.gz QTXKAOSPFHXHBY-KGLIPLIRSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246531419 972441225 /nfs/dbraw/zinc/44/12/25/972441225.db2.gz QTXKAOSPFHXHBY-KGLIPLIRSA-N 2 1 241.423 1.920 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCC[C@H]3C2)CC[NH2+]1 ZINC000724815276 959743670 /nfs/dbraw/zinc/74/36/70/959743670.db2.gz YCQOOSVFYYBZFX-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCC[C@H]3C2)CC[NH2+]1 ZINC000724815276 959743675 /nfs/dbraw/zinc/74/36/75/959743675.db2.gz YCQOOSVFYYBZFX-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000724815275 959744421 /nfs/dbraw/zinc/74/44/21/959744421.db2.gz YCQOOSVFYYBZFX-FDYHWXHSSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000724815275 959744431 /nfs/dbraw/zinc/74/44/31/959744431.db2.gz YCQOOSVFYYBZFX-FDYHWXHSSA-N 2 1 224.348 1.238 20 0 BDADMP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CC(F)F ZINC000694361060 959840335 /nfs/dbraw/zinc/84/03/35/959840335.db2.gz ZFEHXYCSCBBOFT-XFWSIPNHSA-N 2 1 218.291 1.747 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccncc2)C1 ZINC000309439366 959979414 /nfs/dbraw/zinc/97/94/14/959979414.db2.gz ZEJBHVYWQXZSLQ-CYBMUJFWSA-N 2 1 219.332 1.642 20 0 BDADMP OC[C@]1(F)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436825 960089270 /nfs/dbraw/zinc/08/92/70/960089270.db2.gz RGAPVPFXUBXIGA-ZDUSSCGKSA-N 2 1 244.354 1.173 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001207436830 960090957 /nfs/dbraw/zinc/09/09/57/960090957.db2.gz RRJMSXAQPGNZFT-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]CCCN1CCC2(CCC[NH2+]C2)CC1 ZINC001222452676 972493002 /nfs/dbraw/zinc/49/30/02/972493002.db2.gz JMJYWENMLOPDEP-UHFFFAOYSA-N 2 1 225.380 1.062 20 0 BDADMP C[NH+](C)C1CN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801910 960590001 /nfs/dbraw/zinc/59/00/01/960590001.db2.gz KONYDKLMSXPMRP-UHFFFAOYSA-N 2 1 230.315 1.309 20 0 BDADMP c1cc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)co1 ZINC000692744508 960590949 /nfs/dbraw/zinc/59/09/49/960590949.db2.gz JPHWNJGHRQJJAE-YHQUGGNUSA-N 2 1 232.327 1.408 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@]12CCOC2 ZINC001140806019 960605225 /nfs/dbraw/zinc/60/52/25/960605225.db2.gz UIZMIIPMGPVBNE-CQSZACIVSA-N 2 1 243.310 1.928 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@]12CCOC2 ZINC001140806019 960605236 /nfs/dbraw/zinc/60/52/36/960605236.db2.gz UIZMIIPMGPVBNE-CQSZACIVSA-N 2 1 243.310 1.928 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709426435 960607090 /nfs/dbraw/zinc/60/70/90/960607090.db2.gz QXPDVYCMXUUQIK-FUNVUKJBSA-N 2 1 248.374 1.410 20 0 BDADMP c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000709464414 960615410 /nfs/dbraw/zinc/61/54/10/960615410.db2.gz HMFJYVUCXOWRFO-QYJAPNMZSA-N 2 1 217.316 1.454 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487803 960622187 /nfs/dbraw/zinc/62/21/87/960622187.db2.gz CNGKADBKLQUOKH-BEUHCMRWSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1CN(C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487803 960622195 /nfs/dbraw/zinc/62/21/95/960622195.db2.gz CNGKADBKLQUOKH-BEUHCMRWSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487803 960622203 /nfs/dbraw/zinc/62/22/03/960622203.db2.gz CNGKADBKLQUOKH-BEUHCMRWSA-N 3 1 237.391 1.199 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487803 960622208 /nfs/dbraw/zinc/62/22/08/960622208.db2.gz CNGKADBKLQUOKH-BEUHCMRWSA-N 3 1 237.391 1.199 20 0 BDADMP [NH3+]C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925702542 960698159 /nfs/dbraw/zinc/69/81/59/960698159.db2.gz BMILKVYGDCSEKW-FRRDWIJNSA-N 2 1 237.391 1.378 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000423279187 960861714 /nfs/dbraw/zinc/86/17/14/960861714.db2.gz RRLUFBWKGWRYON-GHMZBOCLSA-N 2 1 222.336 1.360 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC12COC2 ZINC001167826073 961160199 /nfs/dbraw/zinc/16/01/99/961160199.db2.gz MFZOQQCRFCEDCT-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CN1CCC([N@@H+](C)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923740 961992425 /nfs/dbraw/zinc/99/24/25/961992425.db2.gz IOGAZRZTUHSMFX-PJXYFTJBSA-N 2 1 208.349 1.811 20 0 BDADMP Cc1nc(N)ccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632181 962124988 /nfs/dbraw/zinc/12/49/88/962124988.db2.gz GVKATBJWARVRKX-LBPRGKRZSA-N 2 1 248.374 1.533 20 0 BDADMP CCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268760634 962336599 /nfs/dbraw/zinc/33/65/99/962336599.db2.gz WOVBUVBDSZPYDN-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001268760634 962336622 /nfs/dbraw/zinc/33/66/22/962336622.db2.gz WOVBUVBDSZPYDN-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CCC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001268760634 962336633 /nfs/dbraw/zinc/33/66/33/962336633.db2.gz WOVBUVBDSZPYDN-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C2CCC3(CC3)CC2)CCO1 ZINC000710201620 962344718 /nfs/dbraw/zinc/34/47/18/962344718.db2.gz YZIMENXVQWSSQU-LBPRGKRZSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C2CCC3(CC3)CC2)CCO1 ZINC000710201620 962344733 /nfs/dbraw/zinc/34/47/33/962344733.db2.gz YZIMENXVQWSSQU-LBPRGKRZSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H]1C[C@H](NCC[C@@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000710408533 962379512 /nfs/dbraw/zinc/37/95/12/962379512.db2.gz FEKHPZJSEBVIAY-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP N[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648148 962599069 /nfs/dbraw/zinc/59/90/69/962599069.db2.gz MGHNZKOQMHTRAL-GHMZBOCLSA-N 2 1 247.333 1.044 20 0 BDADMP N[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648167 962599374 /nfs/dbraw/zinc/59/93/74/962599374.db2.gz MGHNZKOQMHTRAL-WDEREUQCSA-N 2 1 247.333 1.044 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167952378 962707576 /nfs/dbraw/zinc/70/75/76/962707576.db2.gz OLJDGVWOFUPCCQ-GDNZZTSVSA-N 2 1 217.316 1.540 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167952378 962707587 /nfs/dbraw/zinc/70/75/87/962707587.db2.gz OLJDGVWOFUPCCQ-GDNZZTSVSA-N 2 1 217.316 1.540 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@H]2CO)CC[NH2+]1 ZINC000711575866 962729262 /nfs/dbraw/zinc/72/92/62/962729262.db2.gz FJXAYSQSEOTVQM-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958648 962826617 /nfs/dbraw/zinc/82/66/17/962826617.db2.gz HGHKOGMWVQBDJC-AGUYFDCRSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1ccc(N[C@@H](C)CN2CC[NH2+]CC2)[nH+]c1C ZINC001154748656 962844114 /nfs/dbraw/zinc/84/41/14/962844114.db2.gz ITTKEZKLOYCVBI-LBPRGKRZSA-N 2 1 248.374 1.404 20 0 BDADMP CCc1cc(NC[C@H]2C[NH2+][C@H](C)C2)nc(C)[nH+]1 ZINC001155101418 962979238 /nfs/dbraw/zinc/97/92/38/962979238.db2.gz BMWLDWQQLMMEML-MWLCHTKSSA-N 2 1 234.347 1.757 20 0 BDADMP [NH3+]C1CC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167969484 963041243 /nfs/dbraw/zinc/04/12/43/963041243.db2.gz CUNCOSMRYXZTSK-NIRLBGDNSA-N 2 1 249.402 1.471 20 0 BDADMP CCOc1cc[nH+]c(N[C@@H](C)C[NH+](C)C)c1 ZINC001155916609 963202467 /nfs/dbraw/zinc/20/24/67/963202467.db2.gz OUVVUFQICLPWEZ-JTQLQIEISA-N 2 1 223.320 1.842 20 0 BDADMP CC[C@@H](C)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001167998363 963204477 /nfs/dbraw/zinc/20/44/77/963204477.db2.gz IUJDPZQUEZUXGI-LLVKDONJSA-N 2 1 234.347 1.702 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCO[C@H](C)C1 ZINC001168075990 963614250 /nfs/dbraw/zinc/61/42/50/963614250.db2.gz UUXSOXZLAQROEE-MNOVXSKESA-N 2 1 223.320 1.433 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001168111321 963749432 /nfs/dbraw/zinc/74/94/32/963749432.db2.gz APHGLGONNHDNIP-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCO1 ZINC001168111321 963749441 /nfs/dbraw/zinc/74/94/41/963749441.db2.gz APHGLGONNHDNIP-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCO1 ZINC001168111321 963749453 /nfs/dbraw/zinc/74/94/53/963749453.db2.gz APHGLGONNHDNIP-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCO[C@H](C)C2)CC1 ZINC001168128773 963807531 /nfs/dbraw/zinc/80/75/31/963807531.db2.gz UJDJNAMPDSSCFE-TZMCWYRMSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@H](C)C2)CC1 ZINC001168128773 963807534 /nfs/dbraw/zinc/80/75/34/963807534.db2.gz UJDJNAMPDSSCFE-TZMCWYRMSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001168138528 963838705 /nfs/dbraw/zinc/83/87/05/963838705.db2.gz QMQQCWBORMKHHH-RYUDHWBXSA-N 2 1 235.331 1.309 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001168138528 963838707 /nfs/dbraw/zinc/83/87/07/963838707.db2.gz QMQQCWBORMKHHH-RYUDHWBXSA-N 2 1 235.331 1.309 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)n1 ZINC000689403839 963893123 /nfs/dbraw/zinc/89/31/23/963893123.db2.gz DIWYIDVKSDVNGB-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@H](Nc1cccc(C2CC2)[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159502344 964116637 /nfs/dbraw/zinc/11/66/37/964116637.db2.gz MDAFUHDBPAEPRK-GWCFXTLKSA-N 2 1 247.342 1.748 20 0 BDADMP c1[nH]c2ccc(NC3=CC[NH2+]CC3)cc2[nH+]1 ZINC001160223241 964265341 /nfs/dbraw/zinc/26/53/41/964265341.db2.gz SIAGFIJOTNVELU-UHFFFAOYSA-N 2 1 214.272 1.852 20 0 BDADMP Cc1ccnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1 ZINC001160508083 964313760 /nfs/dbraw/zinc/31/37/60/964313760.db2.gz CNHLZRVQTYQJSH-CQSZACIVSA-N 2 1 246.358 1.225 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)C(C)(C)CN)CC1 ZINC001168300531 964397706 /nfs/dbraw/zinc/39/77/06/964397706.db2.gz ZMGBGHNEVKOUKA-UHFFFAOYSA-N 2 1 227.396 1.528 20 0 BDADMP Cn1ncc2c1C[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168323760 964451647 /nfs/dbraw/zinc/45/16/47/964451647.db2.gz CEDJQVGPMQTVKB-UHFFFAOYSA-N 2 1 248.374 1.609 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)[C@@H]2CCOC2)CC1 ZINC001168324033 964451825 /nfs/dbraw/zinc/45/18/25/964451825.db2.gz HCXXONZRYOFDAL-WXRRBKDZSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327882 964458653 /nfs/dbraw/zinc/45/86/53/964458653.db2.gz RULUJDMJRRJSKO-ABXWRUBCSA-N 2 1 240.391 1.704 20 0 BDADMP COC(C[NH2+]C1CC[NH+](CC2CC2)CC1)OC ZINC001168357566 964520569 /nfs/dbraw/zinc/52/05/69/964520569.db2.gz GTNWDRFZOKYNHL-UHFFFAOYSA-N 2 1 242.363 1.069 20 0 BDADMP C[C@H](CC[NH2+]Cc1ccc(CO)cc1)[NH+](C)C ZINC000697848368 964566095 /nfs/dbraw/zinc/56/60/95/964566095.db2.gz MADVPQNSPGNCNY-GFCCVEGCSA-N 2 1 236.359 1.609 20 0 BDADMP CC(C)(C)CNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001161634678 964653108 /nfs/dbraw/zinc/65/31/08/964653108.db2.gz KKPKSLDBCWWDKM-UHFFFAOYSA-N 2 1 248.374 1.949 20 0 BDADMP Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)cc1C ZINC001161870466 964802533 /nfs/dbraw/zinc/80/25/33/964802533.db2.gz JNDZOUCIZNLAFB-UHFFFAOYSA-N 2 1 248.374 1.533 20 0 BDADMP Cc1c[nH]c2nc(N[C@H]3CCC[C@@H]([NH3+])C3)[nH+]cc12 ZINC001162390679 964948839 /nfs/dbraw/zinc/94/88/39/964948839.db2.gz HQYXQAVEECJWRC-ZJUUUORDSA-N 2 1 245.330 1.900 20 0 BDADMP F[C@@H]1C[NH2+][C@H](CNc2cccn3cc[nH+]c23)C1 ZINC001162477333 964992221 /nfs/dbraw/zinc/99/22/21/964992221.db2.gz HSNPSJUKCNCHNI-UWVGGRQHSA-N 2 1 234.278 1.446 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168374231 964993752 /nfs/dbraw/zinc/99/37/52/964993752.db2.gz XWBXYWBRGUATOG-RISCZKNCSA-N 2 1 238.375 1.316 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000690424455 965036449 /nfs/dbraw/zinc/03/64/49/965036449.db2.gz ZYIRUDOHTXWMHM-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1cc2c[nH+]c(NC[C@H]3C[NH2+][C@H](C)C3)nc2[nH]1 ZINC001162555395 965045601 /nfs/dbraw/zinc/04/56/01/965045601.db2.gz SQPPMXYOXCCXCD-PSASIEDQSA-N 2 1 245.330 1.628 20 0 BDADMP Nc1ccc(NC[C@]2(F)CCCC[NH2+]C2)c[nH+]1 ZINC001162583106 965057110 /nfs/dbraw/zinc/05/71/10/965057110.db2.gz JVPXEOCISHEVOO-LBPRGKRZSA-N 2 1 238.310 1.558 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CCC[N@@H+](C)CC1 ZINC001224926851 965103713 /nfs/dbraw/zinc/10/37/13/965103713.db2.gz BFWBTDURLXJITJ-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP COc1cc2[nH+]ccn2cc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162675924 965110317 /nfs/dbraw/zinc/11/03/17/965110317.db2.gz HNDDWJWXPRDHLJ-NXEZZACHSA-N 2 1 246.314 1.505 20 0 BDADMP Cc1ccc[nH+]c1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163305475 965325401 /nfs/dbraw/zinc/32/54/01/965325401.db2.gz MSJURDZURFKSAS-OCCSQVGLSA-N 2 1 247.342 1.713 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1N[C@H](C)C[NH+](C)C ZINC001163776499 965582524 /nfs/dbraw/zinc/58/25/24/965582524.db2.gz BUBMINOPNQXWHN-LLVKDONJSA-N 2 1 236.363 1.818 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205093482 965714974 /nfs/dbraw/zinc/71/49/74/965714974.db2.gz BEOMGEJTIFQPFO-GFCCVEGCSA-N 2 1 220.320 1.098 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205093482 965714985 /nfs/dbraw/zinc/71/49/85/965714985.db2.gz BEOMGEJTIFQPFO-GFCCVEGCSA-N 2 1 220.320 1.098 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CCCn2cccn2)CC1 ZINC001205093667 965717777 /nfs/dbraw/zinc/71/77/77/965717777.db2.gz DMBDENDLCWLJFB-LBPRGKRZSA-N 2 1 222.336 1.086 20 0 BDADMP CCc1cc(N2C[C@H](C)CC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC001164072780 965733150 /nfs/dbraw/zinc/73/31/50/965733150.db2.gz CKGWNWGPKBVFCR-ZWNOBZJWSA-N 2 1 248.374 1.911 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3[nH]cnc32)CC1 ZINC001205109746 965834615 /nfs/dbraw/zinc/83/46/15/965834615.db2.gz KYYVHRUZHPUGTB-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc3nc[nH]c32)CC1 ZINC001205109746 965834617 /nfs/dbraw/zinc/83/46/17/965834617.db2.gz KYYVHRUZHPUGTB-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3nc[nH]c32)CC1 ZINC001205109746 965834619 /nfs/dbraw/zinc/83/46/19/965834619.db2.gz KYYVHRUZHPUGTB-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP Cc1ccc2c(c1)[nH]ccc2=[NH+]OCC[NH3+] ZINC001164439072 965882034 /nfs/dbraw/zinc/88/20/34/965882034.db2.gz OPBLNXSJBHQMHK-UHFFFAOYSA-N 2 1 217.272 1.845 20 0 BDADMP NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124374 965891729 /nfs/dbraw/zinc/89/17/29/965891729.db2.gz PMSTTZJGOBESDM-CYBMUJFWSA-N 2 1 247.342 1.099 20 0 BDADMP NC(=O)c1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124374 965891737 /nfs/dbraw/zinc/89/17/37/965891737.db2.gz PMSTTZJGOBESDM-CYBMUJFWSA-N 2 1 247.342 1.099 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CCOCC2)C[C@H]1C[NH3+] ZINC001205131415 965937463 /nfs/dbraw/zinc/93/74/63/965937463.db2.gz YCTUAGBOIPYSSO-NWDGAFQWSA-N 2 1 226.364 1.330 20 0 BDADMP CCc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)on1 ZINC001203226204 965966839 /nfs/dbraw/zinc/96/68/39/965966839.db2.gz HYYGRKUTIURDDK-UHFFFAOYSA-N 2 1 249.358 1.765 20 0 BDADMP Cc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235051359 965997953 /nfs/dbraw/zinc/99/79/53/965997953.db2.gz JGSRYPBXGQPSIU-OAHLLOKOSA-N 2 1 245.370 1.132 20 0 BDADMP Cc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235051359 965997974 /nfs/dbraw/zinc/99/79/74/965997974.db2.gz JGSRYPBXGQPSIU-OAHLLOKOSA-N 2 1 245.370 1.132 20 0 BDADMP C/C=C(\NC=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165263122 966013886 /nfs/dbraw/zinc/01/38/86/966013886.db2.gz ZSJIYPHZJDDNFH-KLTMTFHYSA-N 2 1 224.352 1.366 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000699647305 966020505 /nfs/dbraw/zinc/02/05/05/966020505.db2.gz RZGZPNHEYPQIDV-GMXVVIOVSA-N 2 1 237.347 1.595 20 0 BDADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCO ZINC001236255405 966324625 /nfs/dbraw/zinc/32/46/25/966324625.db2.gz MMLJMLIWMNSCOZ-UHFFFAOYSA-N 2 1 245.326 1.605 20 0 BDADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCO ZINC001236255405 966324638 /nfs/dbraw/zinc/32/46/38/966324638.db2.gz MMLJMLIWMNSCOZ-UHFFFAOYSA-N 2 1 245.326 1.605 20 0 BDADMP Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313992 966360693 /nfs/dbraw/zinc/36/06/93/966360693.db2.gz DKMNISYWERXPCW-OKILXGFUSA-N 2 1 246.354 1.824 20 0 BDADMP CN(C[C@@H]1CC[NH2+]C1)c1ccc2c([nH+]1)CCC2 ZINC001166955890 966480443 /nfs/dbraw/zinc/48/04/43/966480443.db2.gz JWBDFVPWEDJOOY-LLVKDONJSA-N 2 1 231.343 1.616 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1C ZINC000300005157 966490747 /nfs/dbraw/zinc/49/07/47/966490747.db2.gz KZCFNPJKNPMZGZ-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP Cn1cccc1C[N@@H+]1CCc2nccn2CC1 ZINC001203265591 966591880 /nfs/dbraw/zinc/59/18/80/966591880.db2.gz JUIFWFSYQRVHPZ-UHFFFAOYSA-N 2 1 230.315 1.280 20 0 BDADMP CC/C=C\CCC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210904 966851135 /nfs/dbraw/zinc/85/11/35/966851135.db2.gz SSAMFPPMDZPCCM-NQHOJNORSA-N 2 1 240.391 1.909 20 0 BDADMP Nc1[nH+]cccc1Nc1cc[nH+]c2c1CCC2 ZINC001212393927 967017271 /nfs/dbraw/zinc/01/72/71/967017271.db2.gz SGUIGDRCZWPQOH-UHFFFAOYSA-N 2 1 226.283 1.713 20 0 BDADMP CC(C)[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)C(C)C ZINC001204604766 967100458 /nfs/dbraw/zinc/10/04/58/967100458.db2.gz XDXLHJXVVHLVLY-NSHDSACASA-N 2 1 214.353 1.830 20 0 BDADMP c1cc2c(c(C[N@@H+]3CCC[NH2+]CC3)c1)CCN2 ZINC001204684984 967130518 /nfs/dbraw/zinc/13/05/18/967130518.db2.gz QEJOYOJEGKYMRG-UHFFFAOYSA-N 2 1 231.343 1.450 20 0 BDADMP c1cc2c(c(C[N@H+]3CCC[NH2+]CC3)c1)CCN2 ZINC001204684984 967130530 /nfs/dbraw/zinc/13/05/30/967130530.db2.gz QEJOYOJEGKYMRG-UHFFFAOYSA-N 2 1 231.343 1.450 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001204763457 967150475 /nfs/dbraw/zinc/15/04/75/967150475.db2.gz LDTYMRDUOLSFMW-WCQYABFASA-N 2 1 226.364 1.615 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204763931 967151925 /nfs/dbraw/zinc/15/19/25/967151925.db2.gz TZDPZFWYUHCMCF-CYBMUJFWSA-N 3 1 225.380 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204763931 967151932 /nfs/dbraw/zinc/15/19/32/967151932.db2.gz TZDPZFWYUHCMCF-CYBMUJFWSA-N 3 1 225.380 1.141 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001204762727 967152687 /nfs/dbraw/zinc/15/26/87/967152687.db2.gz BKEXZEBEMKBZHV-HNNXBMFYSA-N 2 1 230.355 1.825 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+](CCCc2cccnc2)C1 ZINC001204764305 967153952 /nfs/dbraw/zinc/15/39/52/967153952.db2.gz VREQIXNAROVZHL-CYBMUJFWSA-N 2 1 219.332 1.437 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](CCCc2cccnc2)C1 ZINC001204764305 967153961 /nfs/dbraw/zinc/15/39/61/967153961.db2.gz VREQIXNAROVZHL-CYBMUJFWSA-N 2 1 219.332 1.437 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001204763458 967155265 /nfs/dbraw/zinc/15/52/65/967155265.db2.gz LDTYMRDUOLSFMW-YPMHNXCESA-N 2 1 226.364 1.615 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763937 967155693 /nfs/dbraw/zinc/15/56/93/967155693.db2.gz TZSNILUGZIQIGP-ZDUSSCGKSA-N 3 1 237.391 1.189 20 0 BDADMP C[C@]1([NH3+])CCN(CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763937 967155699 /nfs/dbraw/zinc/15/56/99/967155699.db2.gz TZSNILUGZIQIGP-ZDUSSCGKSA-N 2 1 237.391 1.189 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](CO)C2)CC1 ZINC000715541806 967155971 /nfs/dbraw/zinc/15/59/71/967155971.db2.gz IQJXTPQPIJCCDY-HIFPTAJRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC000715557519 967159701 /nfs/dbraw/zinc/15/97/01/967159701.db2.gz JMBXTSXPNYXUMW-RJZJGCCBSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001204939834 967243930 /nfs/dbraw/zinc/24/39/30/967243930.db2.gz UTSONOVLJWRODB-CYBMUJFWSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@@]1([NH3+])CCCN(CCC2CC[NH2+]CC2)C1 ZINC001204939834 967243937 /nfs/dbraw/zinc/24/39/37/967243937.db2.gz UTSONOVLJWRODB-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP CC1(C[N@H+]2CCC[C@@](C)(N)C2)CC[NH2+]CC1 ZINC001204940083 967244977 /nfs/dbraw/zinc/24/49/77/967244977.db2.gz VJTRKYORMRLSID-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP CC1(C[N@@H+]2CCC[C@@](C)(N)C2)CC[NH2+]CC1 ZINC001204940083 967244985 /nfs/dbraw/zinc/24/49/85/967244985.db2.gz VJTRKYORMRLSID-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP CC[NH+]1CCC(CN2CC[NH+](CC)CC2)CC1 ZINC001205046791 967302287 /nfs/dbraw/zinc/30/22/87/967302287.db2.gz UPPDPOCMTQHMLK-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCn1cccn1 ZINC001205058374 967312182 /nfs/dbraw/zinc/31/21/82/967312182.db2.gz KMGKFKNFPZTZKC-RYUDHWBXSA-N 2 1 222.336 1.085 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCn1cccn1 ZINC001205058374 967312192 /nfs/dbraw/zinc/31/21/92/967312192.db2.gz KMGKFKNFPZTZKC-RYUDHWBXSA-N 2 1 222.336 1.085 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1C[C@H]1CCC[N@@H+](C)C1 ZINC001205058215 967315774 /nfs/dbraw/zinc/31/57/74/967315774.db2.gz GPGCOTCRSIAXIG-AVGNSLFASA-N 2 1 225.380 1.140 20 0 BDADMP CC1(C[N@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001205094944 967341119 /nfs/dbraw/zinc/34/11/19/967341119.db2.gz RLTVWTNEZXSGNM-GFCCVEGCSA-N 3 1 225.380 1.189 20 0 BDADMP Cc1cnsc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117335 967362658 /nfs/dbraw/zinc/36/26/58/967362658.db2.gz OCWXHYNWROTDLK-JTQLQIEISA-N 2 1 225.361 1.765 20 0 BDADMP Cc1cnsc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117335 967362665 /nfs/dbraw/zinc/36/26/65/967362665.db2.gz OCWXHYNWROTDLK-JTQLQIEISA-N 2 1 225.361 1.765 20 0 BDADMP CCc1nccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC001205135924 967382966 /nfs/dbraw/zinc/38/29/66/967382966.db2.gz HBQWBIHWDWASHR-WDEREUQCSA-N 2 1 234.347 1.066 20 0 BDADMP CCc1nccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC001205135924 967382984 /nfs/dbraw/zinc/38/29/84/967382984.db2.gz HBQWBIHWDWASHR-WDEREUQCSA-N 2 1 234.347 1.066 20 0 BDADMP CNc1ccccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146653 967388594 /nfs/dbraw/zinc/38/85/94/967388594.db2.gz ZYHZXTBBAHZADR-WCQYABFASA-N 2 1 233.359 1.755 20 0 BDADMP C[C@H]1C[N@H+](Cc2cc3ccoc3cn2)C[C@H]1C[NH3+] ZINC001205146441 967389933 /nfs/dbraw/zinc/38/99/33/967389933.db2.gz WQIFNTDNCTZKIB-CMPLNLGQSA-N 2 1 245.326 1.854 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3ccoc3cn2)C[C@H]1C[NH3+] ZINC001205146441 967389947 /nfs/dbraw/zinc/38/99/47/967389947.db2.gz WQIFNTDNCTZKIB-CMPLNLGQSA-N 2 1 245.326 1.854 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc(F)c(O)c2)C[C@H]1C[NH3+] ZINC001205150682 967394768 /nfs/dbraw/zinc/39/47/68/967394768.db2.gz HCORYPFFJGBCNF-GXSJLCMTSA-N 2 1 238.306 1.558 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c1CCN2 ZINC001205197201 967422516 /nfs/dbraw/zinc/42/25/16/967422516.db2.gz JXDQZTDDGJFDEI-ZWNOBZJWSA-N 2 1 231.343 1.576 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCN2 ZINC001205197201 967422523 /nfs/dbraw/zinc/42/25/23/967422523.db2.gz JXDQZTDDGJFDEI-ZWNOBZJWSA-N 2 1 231.343 1.576 20 0 BDADMP Cc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)n1 ZINC001205209431 967430587 /nfs/dbraw/zinc/43/05/87/967430587.db2.gz JITXGDPTLOAZAO-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccn2)CC1 ZINC001205265286 967457281 /nfs/dbraw/zinc/45/72/81/967457281.db2.gz PNAIZTNKCGXGIU-CYBMUJFWSA-N 2 1 219.332 1.785 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(N)n2)CC1 ZINC001205280950 967470101 /nfs/dbraw/zinc/47/01/01/967470101.db2.gz MVKSHNXDEPOEDO-ZDUSSCGKSA-N 2 1 234.347 1.367 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205280700 967471195 /nfs/dbraw/zinc/47/11/95/967471195.db2.gz GOYFUCLNYLEYOL-CQSZACIVSA-N 2 1 249.358 1.799 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(N)n1 ZINC001205281160 967471925 /nfs/dbraw/zinc/47/19/25/967471925.db2.gz QNSBKAMAFJMXKX-AWEZNQCLSA-N 2 1 248.374 1.676 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC001205332012 967549896 /nfs/dbraw/zinc/54/98/96/967549896.db2.gz LXCQJHUKFYFFQB-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2c(c1)CCN2 ZINC001205332012 967549910 /nfs/dbraw/zinc/54/99/10/967549910.db2.gz LXCQJHUKFYFFQB-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545374 967687263 /nfs/dbraw/zinc/68/72/63/967687263.db2.gz FUVWIMORNXLVAS-LBPRGKRZSA-N 2 1 240.326 1.073 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccnnc2)CC1 ZINC001205559261 967694731 /nfs/dbraw/zinc/69/47/31/967694731.db2.gz PPABTVTXKNYXCZ-GFCCVEGCSA-N 2 1 238.310 1.130 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)[nH]1 ZINC001205579278 967705086 /nfs/dbraw/zinc/70/50/86/967705086.db2.gz LYUFEGFKNFVFTQ-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1nc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c[nH]1 ZINC001205579278 967705095 /nfs/dbraw/zinc/70/50/95/967705095.db2.gz LYUFEGFKNFVFTQ-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c[nH]1 ZINC001205579278 967705102 /nfs/dbraw/zinc/70/51/02/967705102.db2.gz LYUFEGFKNFVFTQ-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP COCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205603116 967719979 /nfs/dbraw/zinc/71/99/79/967719979.db2.gz NUCVDPIXFQWBHK-OLZOCXBDSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncccn2)CC[C@H]1C[NH3+] ZINC001205617830 967723933 /nfs/dbraw/zinc/72/39/33/967723933.db2.gz OJDFGVSJBCWYDC-NEPJUHHUSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cncs2)CC[C@@H]1C[NH3+] ZINC001205617950 967726335 /nfs/dbraw/zinc/72/63/35/967726335.db2.gz PWGXISUHVBILCN-GHMZBOCLSA-N 2 1 239.388 1.950 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205615983 967728636 /nfs/dbraw/zinc/72/86/36/967728636.db2.gz BLQHGCJLLQTQIP-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205615983 967728649 /nfs/dbraw/zinc/72/86/49/967728649.db2.gz BLQHGCJLLQTQIP-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205615983 967728660 /nfs/dbraw/zinc/72/86/60/967728660.db2.gz BLQHGCJLLQTQIP-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c[nH]1 ZINC001205639301 967734271 /nfs/dbraw/zinc/73/42/71/967734271.db2.gz YRSNOBBXZMAMKR-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)[nH]1 ZINC001205639301 967734290 /nfs/dbraw/zinc/73/42/90/967734290.db2.gz YRSNOBBXZMAMKR-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)[nH]1 ZINC001205639301 967734305 /nfs/dbraw/zinc/73/43/05/967734305.db2.gz YRSNOBBXZMAMKR-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2N)CC[C@@H]1C[NH3+] ZINC001205626954 967737743 /nfs/dbraw/zinc/73/77/43/967737743.db2.gz KXSIZYGVGYLMHU-NWDGAFQWSA-N 2 1 248.374 1.471 20 0 BDADMP CS[C@H](C)CC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662432 967752229 /nfs/dbraw/zinc/75/22/29/967752229.db2.gz ASRIULAEYMWDTO-VXGBXAGGSA-N 2 1 246.420 1.304 20 0 BDADMP CCc1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1 ZINC001250425558 967840870 /nfs/dbraw/zinc/84/08/70/967840870.db2.gz JFXNEWJMOCIPEK-UHFFFAOYSA-N 2 1 244.342 1.877 20 0 BDADMP CC(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946036 967895832 /nfs/dbraw/zinc/89/58/32/967895832.db2.gz HSNDECWQBFGWDY-HUUCEWRRSA-N 2 1 248.370 1.704 20 0 BDADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946036 967895833 /nfs/dbraw/zinc/89/58/33/967895833.db2.gz HSNDECWQBFGWDY-HUUCEWRRSA-N 2 1 248.370 1.704 20 0 BDADMP CCC1(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)COC1 ZINC001205981488 967923905 /nfs/dbraw/zinc/92/39/05/967923905.db2.gz DSMCPRSJNVYKEY-QWHCGFSZSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1C[N@@H+](CC23CC([NH3+])(C2)C3)CCC[C@@H]1C[NH3+] ZINC001205982194 967929127 /nfs/dbraw/zinc/92/91/27/967929127.db2.gz LKYJUXACRRVGQE-IWMBGFJWSA-N 3 1 237.391 1.175 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)co1 ZINC001205992546 967938829 /nfs/dbraw/zinc/93/88/29/967938829.db2.gz FFOMAJGNAAAODP-JQWIXIFHSA-N 2 1 237.347 1.790 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2)CCC[C@H]1C[NH3+] ZINC001205996392 967947188 /nfs/dbraw/zinc/94/71/88/967947188.db2.gz WSWLFXZWXUGSEA-JSGCOSHPSA-N 2 1 233.359 1.888 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001205996722 967947771 /nfs/dbraw/zinc/94/77/71/967947771.db2.gz XYLQFVLXQNNQCZ-YPMHNXCESA-N 2 1 248.374 1.592 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnccc2N)CCC[C@@H]1C[NH3+] ZINC001205996596 967952897 /nfs/dbraw/zinc/95/28/97/967952897.db2.gz XONNXTJFDITQNB-NWDGAFQWSA-N 2 1 248.374 1.301 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(N)nc2)CCC[C@H]1C[NH3+] ZINC001206011789 967964364 /nfs/dbraw/zinc/96/43/64/967964364.db2.gz GOSPAWZJXHSXMP-AAEUAGOBSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)[nH+]c1 ZINC001163306198 968016084 /nfs/dbraw/zinc/01/60/84/968016084.db2.gz QLADUWVNRSSZTN-TZMCWYRMSA-N 2 1 247.342 1.713 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC2CC2)CC[C@@H]1F ZINC001206152701 968093282 /nfs/dbraw/zinc/09/32/82/968093282.db2.gz AIKNDBKAPXZKJD-WDEREUQCSA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC2CC2)CC[C@@H]1F ZINC001206152701 968093296 /nfs/dbraw/zinc/09/32/96/968093296.db2.gz AIKNDBKAPXZKJD-WDEREUQCSA-N 2 1 200.301 1.548 20 0 BDADMP N[C@H]1CC[N@@H+](Cc2ccc[nH]c2=O)CC[C@H]1F ZINC001206167032 968102939 /nfs/dbraw/zinc/10/29/39/968102939.db2.gz WETNCQONGVVXKV-MNOVXSKESA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccc[nH]c2=O)CC[C@H]1F ZINC001206167032 968102944 /nfs/dbraw/zinc/10/29/44/968102944.db2.gz WETNCQONGVVXKV-MNOVXSKESA-N 2 1 239.294 1.048 20 0 BDADMP CCc1n[nH]cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206200814 968131182 /nfs/dbraw/zinc/13/11/82/968131182.db2.gz SYPQFLFQHRNHAC-GHMZBOCLSA-N 2 1 240.326 1.233 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206200814 968131200 /nfs/dbraw/zinc/13/12/00/968131200.db2.gz SYPQFLFQHRNHAC-GHMZBOCLSA-N 2 1 240.326 1.233 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001206296134 968200276 /nfs/dbraw/zinc/20/02/76/968200276.db2.gz PPRYKLNQMDWJFV-KGLIPLIRSA-N 3 1 239.407 1.437 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206303162 968208647 /nfs/dbraw/zinc/20/86/47/968208647.db2.gz CBAKUMWSUOEQMG-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206308685 968212849 /nfs/dbraw/zinc/21/28/49/968212849.db2.gz GGXAGCLMTRMSGZ-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC001206305249 968213407 /nfs/dbraw/zinc/21/34/07/968213407.db2.gz XGIUQCDLUSDLCI-GFCCVEGCSA-N 2 1 222.336 1.361 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC001206305249 968213411 /nfs/dbraw/zinc/21/34/11/968213411.db2.gz XGIUQCDLUSDLCI-GFCCVEGCSA-N 2 1 222.336 1.361 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]cn2)CC1 ZINC001206305249 968213418 /nfs/dbraw/zinc/21/34/18/968213418.db2.gz XGIUQCDLUSDLCI-GFCCVEGCSA-N 2 1 222.336 1.361 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311577 968217265 /nfs/dbraw/zinc/21/72/65/968217265.db2.gz QWJRNTYNJKQKOH-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001206337743 968247152 /nfs/dbraw/zinc/24/71/52/968247152.db2.gz WGRQKUHABZLQMR-VIFPVBQESA-N 2 1 242.260 1.949 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC001206337883 968247377 /nfs/dbraw/zinc/24/73/77/968247377.db2.gz WMBJCKCIKYYARB-STQMWFEESA-N 2 1 242.338 1.832 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC001206337883 968247391 /nfs/dbraw/zinc/24/73/91/968247391.db2.gz WMBJCKCIKYYARB-STQMWFEESA-N 2 1 242.338 1.832 20 0 BDADMP C[C@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001206379631 968267548 /nfs/dbraw/zinc/26/75/48/968267548.db2.gz JHIHIJYZPZWPFP-LBPRGKRZSA-N 2 1 237.391 1.060 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)CCN1 ZINC001206379631 968267558 /nfs/dbraw/zinc/26/75/58/968267558.db2.gz JHIHIJYZPZWPFP-LBPRGKRZSA-N 2 1 237.391 1.060 20 0 BDADMP C[C@H]1CC[N@H+](CCCC[NH3+])CC1(F)F ZINC001206500250 968329539 /nfs/dbraw/zinc/32/95/39/968329539.db2.gz JLWNKWVRWKREBK-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP C[C@H]1CC[N@@H+](CCCC[NH3+])CC1(F)F ZINC001206500250 968329548 /nfs/dbraw/zinc/32/95/48/968329548.db2.gz JLWNKWVRWKREBK-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP CC(C)c1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206491098 968337364 /nfs/dbraw/zinc/33/73/64/968337364.db2.gz GWLLOJUPFVXZMN-LSDHHAIUSA-N 2 1 248.370 1.561 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCCCO)C1 ZINC001206541896 968367360 /nfs/dbraw/zinc/36/73/60/968367360.db2.gz MUBIQZPAKXGCBX-ZDUSSCGKSA-N 2 1 228.380 1.600 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206548131 968371442 /nfs/dbraw/zinc/37/14/42/968371442.db2.gz HHTIRYAHJZJOPU-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnccn2)C1 ZINC001206549842 968377251 /nfs/dbraw/zinc/37/72/51/968377251.db2.gz QUVWUHSXCUVCME-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnccn2)C1 ZINC001206549842 968377260 /nfs/dbraw/zinc/37/72/60/968377260.db2.gz QUVWUHSXCUVCME-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2nccnc2N)C1 ZINC001206554882 968381491 /nfs/dbraw/zinc/38/14/91/968381491.db2.gz HZKOPMDERLHPGV-CYBMUJFWSA-N 2 1 249.362 1.010 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2nccnc2N)C1 ZINC001206554882 968381496 /nfs/dbraw/zinc/38/14/96/968381496.db2.gz HZKOPMDERLHPGV-CYBMUJFWSA-N 2 1 249.362 1.010 20 0 BDADMP Cc1ccc[nH+]c1N1CCC([NH2+]C[C@H](C)O)CC1 ZINC001251972075 968414938 /nfs/dbraw/zinc/41/49/38/968414938.db2.gz HPXIECWGTHVXRN-LBPRGKRZSA-N 2 1 249.358 1.329 20 0 BDADMP CC[N@H+]1CCC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206710206 968438499 /nfs/dbraw/zinc/43/84/99/968438499.db2.gz XBAXGOSOLUJWOW-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000085869256 968507971 /nfs/dbraw/zinc/50/79/71/968507971.db2.gz RKCVLRSEWOMHHI-WTIISPKJSA-N 2 1 226.364 1.756 20 0 BDADMP O=c1[nH]cccc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207011799 968551098 /nfs/dbraw/zinc/55/10/98/968551098.db2.gz QZTUFDLRDAPEPB-UHFFFAOYSA-N 2 1 247.342 1.457 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985642 968669014 /nfs/dbraw/zinc/66/90/14/968669014.db2.gz ZCKLESAVYSESNO-LPWJVIDDSA-N 2 1 210.365 1.949 20 0 BDADMP C[NH+](C)CC(C)(C)CN1CCC[N@@H+](C)CC1 ZINC001207276463 968709457 /nfs/dbraw/zinc/70/94/57/968709457.db2.gz XBXAYXBIUIETTP-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001207399640 968753113 /nfs/dbraw/zinc/75/31/13/968753113.db2.gz QBYKQUQGJVEHNO-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCc3cccnc3C2)CC1 ZINC001207399158 968753231 /nfs/dbraw/zinc/75/32/31/968753231.db2.gz DZPNTEKUZRMZCL-UHFFFAOYSA-N 2 1 245.370 1.782 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]2(CCO2)C1 ZINC001207439414 968773423 /nfs/dbraw/zinc/77/34/23/968773423.db2.gz SPGYBBUOPHITJT-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP Cc1cnc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207441820 968775176 /nfs/dbraw/zinc/77/51/76/968775176.db2.gz MQTRKIXJDARPGH-UHFFFAOYSA-N 2 1 245.370 1.748 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001207480196 968796516 /nfs/dbraw/zinc/79/65/16/968796516.db2.gz WLUKDDQNHDQLFD-OKILXGFUSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001207479967 968797373 /nfs/dbraw/zinc/79/73/73/968797373.db2.gz QVCTWIATSPIKSJ-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCOCC2(C)C)CC1 ZINC001207483919 968798301 /nfs/dbraw/zinc/79/83/01/968798301.db2.gz JAMNXVSCPNQZRZ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP Nc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]c1 ZINC001154976008 968830249 /nfs/dbraw/zinc/83/02/49/968830249.db2.gz KCWMPHHVJPJLJL-WPRPVWTQSA-N 2 1 206.293 1.346 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CCCn1cccn1 ZINC001208083500 968989549 /nfs/dbraw/zinc/98/95/49/968989549.db2.gz VROSVTDBOGFFCE-UHFFFAOYSA-N 2 1 224.352 1.157 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CC[C@H]1O ZINC001208107058 968995611 /nfs/dbraw/zinc/99/56/11/968995611.db2.gz IXDVPQDIJWMULV-QWHCGFSZSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC001208105243 969004013 /nfs/dbraw/zinc/00/40/13/969004013.db2.gz SPRDDERKGVBJQF-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC(C)[N@@H+](CCCO)CC1(C)CC[NH+](C)CC1 ZINC001208114124 969007432 /nfs/dbraw/zinc/00/74/32/969007432.db2.gz RSCYYFZQKYHIKF-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP CN1CC[C@@H]([N@@H+](C)CC2(C)CC[NH+](C)CC2)C1 ZINC001208112883 969010156 /nfs/dbraw/zinc/01/01/56/969010156.db2.gz BSUBLGCJKNBDDY-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[N@H+]1CCC=C(c2cnc3c(c2)C[NH2+]CC3)C1 ZINC001241569947 969058409 /nfs/dbraw/zinc/05/84/09/969058409.db2.gz BFVJJBFGGXPNBJ-UHFFFAOYSA-N 2 1 229.327 1.446 20 0 BDADMP COCC[N@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208182384 969113972 /nfs/dbraw/zinc/11/39/72/969113972.db2.gz OJZNJUUGXPHPQE-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP COCC[N@@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208182384 969113977 /nfs/dbraw/zinc/11/39/77/969113977.db2.gz OJZNJUUGXPHPQE-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP CC[N@@H+](CCOC)CC1CC[NH+](CC)CC1 ZINC001208595449 969151955 /nfs/dbraw/zinc/15/19/55/969151955.db2.gz UASBSOFVFOCPCH-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP CC[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)OC)CC1 ZINC001208598033 969152676 /nfs/dbraw/zinc/15/26/76/969152676.db2.gz QTBIZCKCMICDPJ-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)C(=O)OC)CC1 ZINC001208598033 969152682 /nfs/dbraw/zinc/15/26/82/969152682.db2.gz QTBIZCKCMICDPJ-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(CCOC3)C2)C1 ZINC001208605192 969156657 /nfs/dbraw/zinc/15/66/57/969156657.db2.gz ALVOHTUVMOTEEL-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC001208605192 969156664 /nfs/dbraw/zinc/15/66/64/969156664.db2.gz ALVOHTUVMOTEEL-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC001208605192 969156671 /nfs/dbraw/zinc/15/66/71/969156671.db2.gz ALVOHTUVMOTEEL-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccncn2)CC1 ZINC001208604651 969157837 /nfs/dbraw/zinc/15/78/37/969157837.db2.gz ROYSRLIVKZBVQY-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP CC[N@@H+](CC1CC[NH+](CC)CC1)C1CN(C)C1 ZINC001208602517 969159316 /nfs/dbraw/zinc/15/93/16/969159316.db2.gz GQTQWSJZMLLLDK-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(C)C1 ZINC001208612582 969170223 /nfs/dbraw/zinc/17/02/23/969170223.db2.gz CQIJGYFUHSAGMV-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205996358 969345893 /nfs/dbraw/zinc/34/58/93/969345893.db2.gz WKENIJWCJTXTKC-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205996358 969345900 /nfs/dbraw/zinc/34/59/00/969345900.db2.gz WKENIJWCJTXTKC-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205996358 969345907 /nfs/dbraw/zinc/34/59/07/969345907.db2.gz WKENIJWCJTXTKC-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]([NH3+])c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169100528 969392547 /nfs/dbraw/zinc/39/25/47/969392547.db2.gz KNUCYECRLRXNEO-YFKTTZPYSA-N 2 1 234.347 1.701 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc[nH]c1=O)C2 ZINC001169101292 969397355 /nfs/dbraw/zinc/39/73/55/969397355.db2.gz QQPLWWNYPWCXTL-XYYAHUGASA-N 2 1 247.342 1.502 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc[nH]c1=O)C2 ZINC001169101292 969397364 /nfs/dbraw/zinc/39/73/64/969397364.db2.gz QQPLWWNYPWCXTL-XYYAHUGASA-N 2 1 247.342 1.502 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccnc1C[NH3+])C2 ZINC001169080361 969402853 /nfs/dbraw/zinc/40/28/53/969402853.db2.gz MUMPJPLNSZNPRW-JGPRNRPPSA-N 2 1 220.320 1.140 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(C)CCOCC1)C2 ZINC001169080422 969403155 /nfs/dbraw/zinc/40/31/55/969403155.db2.gz NGMVZTNUAKPDRP-CLLJXQQHSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)C2 ZINC001169079798 969403288 /nfs/dbraw/zinc/40/32/88/969403288.db2.gz LPKAGGYWTNQOSU-RGDJUOJXSA-N 2 1 238.375 1.362 20 0 BDADMP Cc1ncn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1CC[NH3+] ZINC001169089649 969407725 /nfs/dbraw/zinc/40/77/25/969407725.db2.gz FGANHKKROBGBKZ-CLLJXQQHSA-N 2 1 248.374 1.490 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cccc1C[NH3+])C2 ZINC001169089325 969408124 /nfs/dbraw/zinc/40/81/24/969408124.db2.gz BIDRMVCNBWFINE-PJXYFTJBSA-N 2 1 219.332 1.745 20 0 BDADMP Cc1ncn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1CC[NH3+] ZINC001169089652 969409314 /nfs/dbraw/zinc/40/93/14/969409314.db2.gz FGANHKKROBGBKZ-ITGUQSILSA-N 2 1 248.374 1.490 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1F ZINC001169125417 969425144 /nfs/dbraw/zinc/42/51/44/969425144.db2.gz IBQPMOSIJWMYPQ-BNDIWNMDSA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1F ZINC001169125417 969425147 /nfs/dbraw/zinc/42/51/47/969425147.db2.gz IBQPMOSIJWMYPQ-BNDIWNMDSA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1F ZINC001169125417 969425153 /nfs/dbraw/zinc/42/51/53/969425153.db2.gz IBQPMOSIJWMYPQ-BNDIWNMDSA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1F ZINC001169125417 969425157 /nfs/dbraw/zinc/42/51/57/969425157.db2.gz IBQPMOSIJWMYPQ-BNDIWNMDSA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1F ZINC001169125418 969426605 /nfs/dbraw/zinc/42/66/05/969426605.db2.gz IBQPMOSIJWMYPQ-LBELIVKGSA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1F ZINC001169125418 969426608 /nfs/dbraw/zinc/42/66/08/969426608.db2.gz IBQPMOSIJWMYPQ-LBELIVKGSA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1F ZINC001169125418 969426612 /nfs/dbraw/zinc/42/66/12/969426612.db2.gz IBQPMOSIJWMYPQ-LBELIVKGSA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1F ZINC001169125418 969426614 /nfs/dbraw/zinc/42/66/14/969426614.db2.gz IBQPMOSIJWMYPQ-LBELIVKGSA-N 2 1 226.339 1.901 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](O)CC1)C2 ZINC001169126333 969433235 /nfs/dbraw/zinc/43/32/35/969433235.db2.gz RWCSKXFQTIFRJO-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](O)CC1)C2 ZINC001169126333 969433239 /nfs/dbraw/zinc/43/32/39/969433239.db2.gz RWCSKXFQTIFRJO-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](O)CC1)C2 ZINC001169126333 969433245 /nfs/dbraw/zinc/43/32/45/969433245.db2.gz RWCSKXFQTIFRJO-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP CC[N@@H+](CCCC1OCCO1)CCC[NH+](C)C ZINC001209308370 969439486 /nfs/dbraw/zinc/43/94/86/969439486.db2.gz ANCQNDBARSGZMY-UHFFFAOYSA-N 2 1 244.379 1.413 20 0 BDADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169109305 969443482 /nfs/dbraw/zinc/44/34/82/969443482.db2.gz AFNADMDTOBMMOV-XJFOESAGSA-N 2 1 238.375 1.626 20 0 BDADMP COC(C[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC001169146682 969462320 /nfs/dbraw/zinc/46/23/20/969462320.db2.gz RBXASGSZMBGABF-ZSBIGDGJSA-N 2 1 242.363 1.162 20 0 BDADMP COC(C[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC001169146682 969462329 /nfs/dbraw/zinc/46/23/29/969462329.db2.gz RBXASGSZMBGABF-ZSBIGDGJSA-N 2 1 242.363 1.162 20 0 BDADMP COC(C[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC001169146682 969462333 /nfs/dbraw/zinc/46/23/33/969462333.db2.gz RBXASGSZMBGABF-ZSBIGDGJSA-N 2 1 242.363 1.162 20 0 BDADMP COC(C[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC001169146682 969462343 /nfs/dbraw/zinc/46/23/43/969462343.db2.gz RBXASGSZMBGABF-ZSBIGDGJSA-N 2 1 242.363 1.162 20 0 BDADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209411093 969474513 /nfs/dbraw/zinc/47/45/13/969474513.db2.gz BCFFMRLBYSCAIF-LOWDOPEQSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[C@@H]1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209411093 969474517 /nfs/dbraw/zinc/47/45/17/969474517.db2.gz BCFFMRLBYSCAIF-LOWDOPEQSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[C@@H]1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001209411093 969474525 /nfs/dbraw/zinc/47/45/25/969474525.db2.gz BCFFMRLBYSCAIF-LOWDOPEQSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc[nH]c2)CCC[C@@H]1C[NH3+] ZINC001206004176 969480933 /nfs/dbraw/zinc/48/09/33/969480933.db2.gz QWXQRZLYTKXSGD-WCQYABFASA-N 2 1 221.348 1.822 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2N)CCC[C@@H]1C[NH3+] ZINC001206003243 969481551 /nfs/dbraw/zinc/48/15/51/969481551.db2.gz FYNABMKKXFYRSY-VXGBXAGGSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@H]([NH3+])c1ccn(-c2ccc3[nH+]c(N)[nH]c3c2)n1 ZINC001169234248 969512259 /nfs/dbraw/zinc/51/22/59/969512259.db2.gz VZKDMOVMXVAUAX-ZETCQYMHSA-N 2 1 242.286 1.351 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H]2COC)CC1 ZINC001169245138 969528976 /nfs/dbraw/zinc/52/89/76/969528976.db2.gz ABRRXWFEUAPUEJ-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H]2COC)CC1 ZINC001169245138 969528981 /nfs/dbraw/zinc/52/89/81/969528981.db2.gz ABRRXWFEUAPUEJ-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCOC2)CC1 ZINC001169258089 969545181 /nfs/dbraw/zinc/54/51/81/969545181.db2.gz ARGGYCFMYANRGZ-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCOC2)CC1 ZINC001169258089 969545186 /nfs/dbraw/zinc/54/51/86/969545186.db2.gz ARGGYCFMYANRGZ-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001209729202 969585483 /nfs/dbraw/zinc/58/54/83/969585483.db2.gz HPSSISJWDYWOLH-CYBMUJFWSA-N 2 1 233.315 1.249 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001209729202 969585491 /nfs/dbraw/zinc/58/54/91/969585491.db2.gz HPSSISJWDYWOLH-CYBMUJFWSA-N 2 1 233.315 1.249 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1C2CCC1CC2 ZINC001209733401 969593800 /nfs/dbraw/zinc/59/38/00/969593800.db2.gz LKMSCDHNMPLWKJ-UHFFFAOYSA-N 2 1 203.289 1.621 20 0 BDADMP CC[C@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209734537 969600316 /nfs/dbraw/zinc/60/03/16/969600316.db2.gz TWRYXKJMFBVREV-NSHDSACASA-N 2 1 205.305 1.869 20 0 BDADMP CC[C@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209734537 969600320 /nfs/dbraw/zinc/60/03/20/969600320.db2.gz TWRYXKJMFBVREV-NSHDSACASA-N 2 1 205.305 1.869 20 0 BDADMP CC[N@H+](Cc1c[nH+]ccc1N)CC(C)(C)O ZINC001209738202 969600474 /nfs/dbraw/zinc/60/04/74/969600474.db2.gz VTFBGPOFMRQHJY-UHFFFAOYSA-N 2 1 223.320 1.087 20 0 BDADMP C[C@H]([NH3+])c1nccn1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254498393 969657208 /nfs/dbraw/zinc/65/72/08/969657208.db2.gz YKUDECFVGPDMFU-WDEREUQCSA-N 2 1 222.336 1.560 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCN2CCCCO2)CC1 ZINC001254498292 969660225 /nfs/dbraw/zinc/66/02/25/969660225.db2.gz UNTQXPYTMSUEQU-ZDUSSCGKSA-N 2 1 241.379 1.088 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)n1C ZINC001254499790 969661359 /nfs/dbraw/zinc/66/13/59/969661359.db2.gz APCZUOXKZFZFEU-CYBMUJFWSA-N 2 1 235.375 1.907 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cncnc2)CC1 ZINC001254501375 969665042 /nfs/dbraw/zinc/66/50/42/969665042.db2.gz UGSMVVMILIWCLD-GFCCVEGCSA-N 2 1 220.320 1.051 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cncnc2)CC1 ZINC001254501375 969665056 /nfs/dbraw/zinc/66/50/56/969665056.db2.gz UGSMVVMILIWCLD-GFCCVEGCSA-N 2 1 220.320 1.051 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccc(C[NH3+])cc2=N)CC1 ZINC001254501819 969669359 /nfs/dbraw/zinc/66/93/59/969669359.db2.gz YMZCEHBPNPPPBT-GFCCVEGCSA-N 2 1 234.347 1.083 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001254504465 969675495 /nfs/dbraw/zinc/67/54/95/969675495.db2.gz BKKYRXVMZKGOHF-SRVKXCTJSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001254504465 969675500 /nfs/dbraw/zinc/67/55/00/969675500.db2.gz BKKYRXVMZKGOHF-SRVKXCTJSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@]23CCCOC3)CC1 ZINC001254511957 969678740 /nfs/dbraw/zinc/67/87/40/969678740.db2.gz HJSZXVAOFAWXHY-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CC1 ZINC001254512200 969682036 /nfs/dbraw/zinc/68/20/36/969682036.db2.gz KHYAOSVLFFZLNM-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC3(COC3)C2)CC1 ZINC001254520645 969693893 /nfs/dbraw/zinc/69/38/93/969693893.db2.gz OYVFBLYXDRKEGD-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC3(COC3)C2)CC1 ZINC001254520645 969693902 /nfs/dbraw/zinc/69/39/02/969693902.db2.gz OYVFBLYXDRKEGD-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC3(COC3)C2)CC1 ZINC001254520645 969693909 /nfs/dbraw/zinc/69/39/09/969693909.db2.gz OYVFBLYXDRKEGD-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517353 969700354 /nfs/dbraw/zinc/70/03/54/969700354.db2.gz URQINRJUQIHFIY-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254517353 969700361 /nfs/dbraw/zinc/70/03/61/969700361.db2.gz URQINRJUQIHFIY-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517353 969700372 /nfs/dbraw/zinc/70/03/72/969700372.db2.gz URQINRJUQIHFIY-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517632 969700724 /nfs/dbraw/zinc/70/07/24/969700724.db2.gz XNXTWMDXKVAFHG-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254517632 969700728 /nfs/dbraw/zinc/70/07/28/969700728.db2.gz XNXTWMDXKVAFHG-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001254518711 969702651 /nfs/dbraw/zinc/70/26/51/969702651.db2.gz DDNRITFVQOBMIR-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001254518711 969702658 /nfs/dbraw/zinc/70/26/58/969702658.db2.gz DDNRITFVQOBMIR-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP CO[C@@H](C)C1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532105 969730391 /nfs/dbraw/zinc/73/03/91/969730391.db2.gz PDCFXONGLUDKDZ-WCQYABFASA-N 2 1 226.364 1.437 20 0 BDADMP CCCNc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169562040 969759959 /nfs/dbraw/zinc/75/99/59/969759959.db2.gz RJYVQJGSRVQDBR-LLVKDONJSA-N 2 1 249.362 1.853 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254835101 969799172 /nfs/dbraw/zinc/79/91/72/969799172.db2.gz DVEFSUNDUDHHAV-CQSZACIVSA-N 2 1 248.374 1.265 20 0 BDADMP CC1([NH3+])CC[NH+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001254847231 969803222 /nfs/dbraw/zinc/80/32/22/969803222.db2.gz GCPAGVAMINAKIA-ZDUSSCGKSA-N 2 1 237.391 1.284 20 0 BDADMP C1C[C@H]2CN([C@@H]3CC4CC[NH+](CC4)C3)CC[N@H+]2C1 ZINC001254862062 969810105 /nfs/dbraw/zinc/81/01/05/969810105.db2.gz GXZZMBVGLQQODB-LSDHHAIUSA-N 2 1 249.402 1.251 20 0 BDADMP Cc1[nH+]ccc(-n2ccc(C[NH3+])c2)c1F ZINC001169725393 969817346 /nfs/dbraw/zinc/81/73/46/969817346.db2.gz GKIRKOSWVMUZFY-UHFFFAOYSA-N 2 1 205.236 1.779 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254915609 969819692 /nfs/dbraw/zinc/81/96/92/969819692.db2.gz SEWSZYAUHCATOD-GDNZZTSVSA-N 2 1 224.348 1.285 20 0 BDADMP C[N@@H+]1CC[C@H](C[NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254921307 969819885 /nfs/dbraw/zinc/81/98/85/969819885.db2.gz AUUQDBKAWKQENC-IJLUTSLNSA-N 2 1 236.359 1.285 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254921307 969819887 /nfs/dbraw/zinc/81/98/87/969819887.db2.gz AUUQDBKAWKQENC-IJLUTSLNSA-N 2 1 236.359 1.285 20 0 BDADMP C[NH+](C)CCC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254915615 969819983 /nfs/dbraw/zinc/81/99/83/969819983.db2.gz SEWSZYAUHCATOD-QWRGUYRKSA-N 2 1 224.348 1.285 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254944327 969832250 /nfs/dbraw/zinc/83/22/50/969832250.db2.gz QAJDTKHXKBGDNX-QWRGUYRKSA-N 2 1 247.342 1.705 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1CCOCC1 ZINC001255030796 969855611 /nfs/dbraw/zinc/85/56/11/969855611.db2.gz OAUWCOYUDBWWPU-UHFFFAOYSA-N 2 1 209.293 1.044 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3)CC[NH2+]1 ZINC001210499203 969911817 /nfs/dbraw/zinc/91/18/17/969911817.db2.gz SVUGTZUFCXHGFA-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3)CC[NH2+]1 ZINC001210499203 969911821 /nfs/dbraw/zinc/91/18/21/969911821.db2.gz SVUGTZUFCXHGFA-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)NCC3)CC[NH2+]1 ZINC001210518288 969925965 /nfs/dbraw/zinc/92/59/65/969925965.db2.gz GITJRJDJVDDPTN-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)NCC3)CC[NH2+]1 ZINC001210518288 969925966 /nfs/dbraw/zinc/92/59/66/969925966.db2.gz GITJRJDJVDDPTN-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[N@H+]1CC[C@H](n2ccc3cc(C[NH3+])ccc32)C1 ZINC001255414595 970134660 /nfs/dbraw/zinc/13/46/60/970134660.db2.gz ZYRWALWEWZPPRQ-ZDUSSCGKSA-N 2 1 229.327 1.977 20 0 BDADMP C[N@H+]1CC[C@@H](n2ccc3cc(C[NH3+])ccc32)C1 ZINC001255414594 970137052 /nfs/dbraw/zinc/13/70/52/970137052.db2.gz ZYRWALWEWZPPRQ-CYBMUJFWSA-N 2 1 229.327 1.977 20 0 BDADMP C[N@H+]1CC[C@H](N2CCC([NH3+])(CC3CC3)CC2)C1 ZINC001255423498 970145489 /nfs/dbraw/zinc/14/54/89/970145489.db2.gz WMLLYDJHZYRSMG-ZDUSSCGKSA-N 2 1 237.391 1.284 20 0 BDADMP CN1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001255470820 970197528 /nfs/dbraw/zinc/19/75/28/970197528.db2.gz RIZMHFZDXHNHPP-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@H+]1CCC[C@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001255472214 970203902 /nfs/dbraw/zinc/20/39/02/970203902.db2.gz QUXWVAQICVKXRJ-ZDUSSCGKSA-N 2 1 244.342 1.762 20 0 BDADMP Cc1nc2c(n1[C@@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC001255484340 970229379 /nfs/dbraw/zinc/22/93/79/970229379.db2.gz XPBPSQKUSFLEDG-GFCCVEGCSA-N 2 1 248.374 1.146 20 0 BDADMP C[N@@H+](C1CC1)[C@@H]1CCN([C@H]2CCC[NH+](C)C2)C1 ZINC001255492885 970249625 /nfs/dbraw/zinc/24/96/25/970249625.db2.gz NDOWYYFYJBIYGB-KGLIPLIRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)[C@@H]1CCN([C@H]2CCC[N@H+](C)C2)C1 ZINC001255492885 970249637 /nfs/dbraw/zinc/24/96/37/970249637.db2.gz NDOWYYFYJBIYGB-KGLIPLIRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)[C@@H]1CCN([C@H]2CCC[N@@H+](C)C2)C1 ZINC001255492885 970249651 /nfs/dbraw/zinc/24/96/51/970249651.db2.gz NDOWYYFYJBIYGB-KGLIPLIRSA-N 2 1 237.391 1.249 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001255494489 970252565 /nfs/dbraw/zinc/25/25/65/970252565.db2.gz HEGZHKYFFHYEGA-GFCCVEGCSA-N 2 1 219.332 1.401 20 0 BDADMP C[N@H+]1CC[C@]2(CCN([C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001255492625 970253049 /nfs/dbraw/zinc/25/30/49/970253049.db2.gz IYUAJWMTJZESDD-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170106168 970305959 /nfs/dbraw/zinc/30/59/59/970305959.db2.gz VTHDQPNPPTUVDY-HBNTYKKESA-N 2 1 228.336 1.045 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001170147702 970439910 /nfs/dbraw/zinc/43/99/10/970439910.db2.gz DXGTVCIZGHNAAF-NEPJUHHUSA-N 2 1 219.332 1.930 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001170147702 970439928 /nfs/dbraw/zinc/43/99/28/970439928.db2.gz DXGTVCIZGHNAAF-NEPJUHHUSA-N 2 1 219.332 1.930 20 0 BDADMP [NH3+][C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255689628 970458544 /nfs/dbraw/zinc/45/85/44/970458544.db2.gz CKFNMKNTXUZYFK-FNCVBFRFSA-N 2 1 222.254 1.797 20 0 BDADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001255774574 970479249 /nfs/dbraw/zinc/47/92/49/970479249.db2.gz IFSPAJGQXDIGHY-JSGCOSHPSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001255774574 970479258 /nfs/dbraw/zinc/47/92/58/970479258.db2.gz IFSPAJGQXDIGHY-JSGCOSHPSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CSCCS1)[C@H]1CCC[NH2+]1 ZINC000400373683 970583436 /nfs/dbraw/zinc/58/34/36/970583436.db2.gz HVBHDLSDRBXYDG-HBNTYKKESA-N 2 1 246.445 1.565 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400530572 970588586 /nfs/dbraw/zinc/58/85/86/970588586.db2.gz RPHYTTOCQHNENA-SDDRHHMPSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400530574 970591167 /nfs/dbraw/zinc/59/11/67/970591167.db2.gz RPHYTTOCQHNENA-WOPDTQHZSA-N 2 1 214.353 1.124 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@H+]2CC[C@@H]2C1 ZINC001255969191 970607729 /nfs/dbraw/zinc/60/77/29/970607729.db2.gz VADOQSIBELEFPO-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H]1COC ZINC001255968653 970609641 /nfs/dbraw/zinc/60/96/41/970609641.db2.gz DVHJKAMJHNVUCF-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]1COC ZINC001255968653 970609646 /nfs/dbraw/zinc/60/96/46/970609646.db2.gz DVHJKAMJHNVUCF-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC001256073354 970641515 /nfs/dbraw/zinc/64/15/15/970641515.db2.gz SGWMDUMMQIJAIZ-BXUZGUMPSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC001256073354 970641518 /nfs/dbraw/zinc/64/15/18/970641518.db2.gz SGWMDUMMQIJAIZ-BXUZGUMPSA-N 2 1 238.375 1.316 20 0 BDADMP CC1(O)CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073372 970642306 /nfs/dbraw/zinc/64/23/06/970642306.db2.gz SWYHPRWUKPWLEG-UHFFFAOYSA-N 2 1 238.375 1.460 20 0 BDADMP C[N@@H+]1CC[C@H]2CN(C3CC[NH+](C4CC4)CC3)C[C@H]21 ZINC001256078954 970649233 /nfs/dbraw/zinc/64/92/33/970649233.db2.gz GYNGESDZOZJGLR-SWLSCSKDSA-N 2 1 249.402 1.249 20 0 BDADMP C[N@H+]1CC[C@H]2CN(C3CC[NH+](C4CC4)CC3)C[C@H]21 ZINC001256078954 970649239 /nfs/dbraw/zinc/64/92/39/970649239.db2.gz GYNGESDZOZJGLR-SWLSCSKDSA-N 2 1 249.402 1.249 20 0 BDADMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)n1C ZINC001256195313 970691929 /nfs/dbraw/zinc/69/19/29/970691929.db2.gz LGBYVZDRBBJKKL-UHFFFAOYSA-N 2 1 221.348 1.517 20 0 BDADMP C[NH+]1CCC([NH2+]CCN2CCC[C@H](F)C2)CC1 ZINC001256198531 970695943 /nfs/dbraw/zinc/69/59/43/970695943.db2.gz MFWDRPSPJNLGQD-LBPRGKRZSA-N 2 1 243.370 1.104 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1C1CCN(C)CC1 ZINC001256202653 970699404 /nfs/dbraw/zinc/69/94/04/970699404.db2.gz KGIXFQKLSJICFW-NXEZZACHSA-N 2 1 200.301 1.513 20 0 BDADMP CN1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001256207968 970708743 /nfs/dbraw/zinc/70/87/43/970708743.db2.gz SGXNSAGAWALROB-ZMLRMANQSA-N 2 1 212.312 1.513 20 0 BDADMP COCC[C@H]1CCCC[N@H+]1C1CCN(C)CC1 ZINC001256207620 970713832 /nfs/dbraw/zinc/71/38/32/970713832.db2.gz OPGZFMGFKQSMBZ-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1ncc(C[NH2+]CCc2c[nH+]cn2C)s1 ZINC000401753031 970721433 /nfs/dbraw/zinc/72/14/33/970721433.db2.gz PFQJWQVFUHJVPN-UHFFFAOYSA-N 2 1 236.344 1.517 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[NH+](C)C ZINC000401836105 970738114 /nfs/dbraw/zinc/73/81/14/970738114.db2.gz DZVYPPUPGUJOAM-ZYHUDNBSSA-N 2 1 236.363 1.574 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401867997 970745930 /nfs/dbraw/zinc/74/59/30/970745930.db2.gz AEFOSSZTUWHUGF-FRRDWIJNSA-N 2 1 226.364 1.484 20 0 BDADMP C(C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21)[C@@H]1CCCC[NH2+]1 ZINC001222614139 972606351 /nfs/dbraw/zinc/60/63/51/972606351.db2.gz AFNVOTASZVGOJY-MELADBBJSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21)[C@@H]1CCCC[NH2+]1 ZINC001222614139 972606360 /nfs/dbraw/zinc/60/63/60/972606360.db2.gz AFNVOTASZVGOJY-MELADBBJSA-N 3 1 237.391 1.202 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246545104 972612542 /nfs/dbraw/zinc/61/25/42/972612542.db2.gz SXRCMCYBOMBAAF-QJPTWQEYSA-N 2 1 214.353 1.612 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246545104 972612549 /nfs/dbraw/zinc/61/25/49/972612549.db2.gz SXRCMCYBOMBAAF-QJPTWQEYSA-N 2 1 214.353 1.612 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550975 972723940 /nfs/dbraw/zinc/72/39/40/972723940.db2.gz ZOHNJRWPGCCYDB-CHWSQXEVSA-N 2 1 225.380 1.284 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550975 972723949 /nfs/dbraw/zinc/72/39/49/972723949.db2.gz ZOHNJRWPGCCYDB-CHWSQXEVSA-N 3 1 225.380 1.284 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550975 972723957 /nfs/dbraw/zinc/72/39/57/972723957.db2.gz ZOHNJRWPGCCYDB-CHWSQXEVSA-N 3 1 225.380 1.284 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550975 972723972 /nfs/dbraw/zinc/72/39/72/972723972.db2.gz ZOHNJRWPGCCYDB-CHWSQXEVSA-N 3 1 225.380 1.284 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550975 972723980 /nfs/dbraw/zinc/72/39/80/972723980.db2.gz ZOHNJRWPGCCYDB-CHWSQXEVSA-N 3 1 225.380 1.284 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246551780 972729529 /nfs/dbraw/zinc/72/95/29/972729529.db2.gz RCUMGIMYOBFREG-QWHCGFSZSA-N 2 1 244.354 1.708 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246551781 972731114 /nfs/dbraw/zinc/73/11/14/972731114.db2.gz RCUMGIMYOBFREG-STQMWFEESA-N 2 1 244.354 1.708 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2COC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246554913 972753758 /nfs/dbraw/zinc/75/37/58/972753758.db2.gz CZQPCHQYXUMOJB-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP COc1ccc(C[N@@H+](C)C2CCN(C)CC2)nc1 ZINC001144420061 972813891 /nfs/dbraw/zinc/81/38/91/972813891.db2.gz RSAOGORGKYBYEV-UHFFFAOYSA-N 2 1 249.358 1.616 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246574096 972867627 /nfs/dbraw/zinc/86/76/27/972867627.db2.gz JWIZBNGPAPHKST-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1CN([C@@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246574096 972867632 /nfs/dbraw/zinc/86/76/32/972867632.db2.gz JWIZBNGPAPHKST-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@]1(CO)CCC[N@H+](C2CC[NH2+]CC2)CC1 ZINC001246577411 972882026 /nfs/dbraw/zinc/88/20/26/972882026.db2.gz RFYCHGWNJFYNIN-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@@H+]1CCCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144611556 972883145 /nfs/dbraw/zinc/88/31/45/972883145.db2.gz QJIPVLZDTDFVEY-UHFFFAOYSA-N 2 1 244.342 1.472 20 0 BDADMP C[N@H+]1CCCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144611556 972883146 /nfs/dbraw/zinc/88/31/46/972883146.db2.gz QJIPVLZDTDFVEY-UHFFFAOYSA-N 2 1 244.342 1.472 20 0 BDADMP C[NH+](C)C1CN(Cc2[nH+]cn3ccccc23)C1 ZINC001144610682 972886935 /nfs/dbraw/zinc/88/69/35/972886935.db2.gz AKBQDAQAPKWEIA-UHFFFAOYSA-N 2 1 230.315 1.080 20 0 BDADMP CSCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246587534 972989560 /nfs/dbraw/zinc/98/95/60/972989560.db2.gz OSSYFWLFMXIZNA-GARJFASQSA-N 2 1 234.384 1.889 20 0 BDADMP CSCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246587534 972989585 /nfs/dbraw/zinc/98/95/85/972989585.db2.gz OSSYFWLFMXIZNA-GARJFASQSA-N 2 1 234.384 1.889 20 0 BDADMP COC[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246601468 973017413 /nfs/dbraw/zinc/01/74/13/973017413.db2.gz VQHXLLIHXDEWBB-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856479 973166218 /nfs/dbraw/zinc/16/62/18/973166218.db2.gz XMRJGNRZFYUJAY-BZPMIXESSA-N 3 1 235.375 1.084 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856479 973166228 /nfs/dbraw/zinc/16/62/28/973166228.db2.gz XMRJGNRZFYUJAY-BZPMIXESSA-N 3 1 235.375 1.084 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@@H]3CC[C@@]3([NH3+])C1)C2 ZINC001246854667 973170443 /nfs/dbraw/zinc/17/04/43/973170443.db2.gz QNXZIYBFVHBBJL-ODXJTPSBSA-N 2 1 235.375 1.035 20 0 BDADMP CC[N@@H+](CCNC(=O)C[NH2+]CC(C)C)C(C)C ZINC001328593536 973171986 /nfs/dbraw/zinc/17/19/86/973171986.db2.gz KWWBXKCQVYZSDG-UHFFFAOYSA-N 2 1 243.395 1.079 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861914 973178473 /nfs/dbraw/zinc/17/84/73/973178473.db2.gz RJOLEMPSAYYRBA-GCFWVWJCSA-N 2 1 224.348 1.081 20 0 BDADMP COC(=O)c1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC001328678910 973264891 /nfs/dbraw/zinc/26/48/91/973264891.db2.gz ZBDQAMDAVOFECD-ZDUSSCGKSA-N 2 1 248.326 1.300 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@H+]1CCC[C@@H]1CN ZINC001246913109 973451086 /nfs/dbraw/zinc/45/10/86/973451086.db2.gz KBFINRKUZDSJIY-WCQYABFASA-N 2 1 219.332 1.436 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246919069 973482729 /nfs/dbraw/zinc/48/27/29/973482729.db2.gz MGQFVAJSHUKJJQ-SRVKXCTJSA-N 2 1 208.349 1.859 20 0 BDADMP C[NH2+]C[C@@H](C)c1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001329412185 973755755 /nfs/dbraw/zinc/75/57/55/973755755.db2.gz UVUOYZQBRNRYCC-MWLCHTKSSA-N 2 1 246.314 1.441 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000234826085 973769807 /nfs/dbraw/zinc/76/98/07/973769807.db2.gz QGWOGOLIECSWEY-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001247003203 973790839 /nfs/dbraw/zinc/79/08/39/973790839.db2.gz MBSODFVNJXVICJ-HNGCFSAESA-N 2 1 222.332 1.323 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001247003203 973790843 /nfs/dbraw/zinc/79/08/43/973790843.db2.gz MBSODFVNJXVICJ-HNGCFSAESA-N 2 1 222.332 1.323 20 0 BDADMP NCc1cc(NC[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC001171333075 973860288 /nfs/dbraw/zinc/86/02/88/973860288.db2.gz AXYALODFFWTBQB-LLVKDONJSA-N 2 1 220.320 1.094 20 0 BDADMP C[N@@H+]1CCCC[C@@H]1COC1C[NH+](C(C)(C)C)C1 ZINC001224701543 973866638 /nfs/dbraw/zinc/86/66/38/973866638.db2.gz HLGXERTWPSNSOZ-GFCCVEGCSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@H+]1CCCC[C@@H]1COC1C[NH+](C(C)(C)C)C1 ZINC001224701543 973866639 /nfs/dbraw/zinc/86/66/39/973866639.db2.gz HLGXERTWPSNSOZ-GFCCVEGCSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC(OC[C@H]2CCCC[N@H+]2C)CC1 ZINC001224703431 973870299 /nfs/dbraw/zinc/87/02/99/973870299.db2.gz SGPKRCMKVYHTHE-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)[NH+]1CC(OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224703488 973872343 /nfs/dbraw/zinc/87/23/43/973872343.db2.gz TZBNDPMZUJOVBP-LBPRGKRZSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)[NH+]1CC(OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224703488 973872346 /nfs/dbraw/zinc/87/23/46/973872346.db2.gz TZBNDPMZUJOVBP-LBPRGKRZSA-N 2 1 226.364 1.580 20 0 BDADMP Cc1ccncc1-c1noc([C@@H]([NH3+])CCC[NH3+])n1 ZINC001247510231 973975021 /nfs/dbraw/zinc/97/50/21/973975021.db2.gz YQTLIDUOTUUEKN-JTQLQIEISA-N 2 1 247.302 1.179 20 0 BDADMP C[NH+](C)Cc1ccccc1N1CC2(CC[N@H+]2C)C1 ZINC001277003920 974028637 /nfs/dbraw/zinc/02/86/37/974028637.db2.gz KABMKBOMXSPBPV-UHFFFAOYSA-N 2 1 245.370 1.643 20 0 BDADMP CC[NH+](CC)CCOC1C[NH+](CC)C1 ZINC001224924998 974072392 /nfs/dbraw/zinc/07/23/92/974072392.db2.gz NWLAZLOJBWXTIB-UHFFFAOYSA-N 2 1 200.326 1.049 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CC[NH2+]CC1 ZINC001206152844 974238251 /nfs/dbraw/zinc/23/82/51/974238251.db2.gz BPJMOQGGYYZCSA-NEPJUHHUSA-N 2 1 243.370 1.137 20 0 BDADMP CC1(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001206152844 974238254 /nfs/dbraw/zinc/23/82/54/974238254.db2.gz BPJMOQGGYYZCSA-NEPJUHHUSA-N 3 1 243.370 1.137 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001206152844 974238257 /nfs/dbraw/zinc/23/82/57/974238257.db2.gz BPJMOQGGYYZCSA-NEPJUHHUSA-N 3 1 243.370 1.137 20 0 BDADMP CCOC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154986 974269339 /nfs/dbraw/zinc/26/93/39/974269339.db2.gz KJXUFIGZRBPBTN-GHMZBOCLSA-N 2 1 232.343 1.563 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154986 974269352 /nfs/dbraw/zinc/26/93/52/974269352.db2.gz KJXUFIGZRBPBTN-GHMZBOCLSA-N 2 1 232.343 1.563 20 0 BDADMP N[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1F ZINC001206154249 974323284 /nfs/dbraw/zinc/32/32/84/974323284.db2.gz HYYNFLXSIPWMKW-GRYCIOLGSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCCOC2)CC[C@@H]1F ZINC001206154249 974323296 /nfs/dbraw/zinc/32/32/96/974323296.db2.gz HYYNFLXSIPWMKW-GRYCIOLGSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1F ZINC001206154249 974323303 /nfs/dbraw/zinc/32/33/03/974323303.db2.gz HYYNFLXSIPWMKW-GRYCIOLGSA-N 2 1 230.327 1.174 20 0 BDADMP N[C@H]1CC[N@@H+](CC2CCSCC2)CC[C@@H]1F ZINC001206156882 974333165 /nfs/dbraw/zinc/33/31/65/974333165.db2.gz SZVRPGOXKPZJAV-RYUDHWBXSA-N 2 1 246.395 1.891 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCSCC2)CC[C@@H]1F ZINC001206156882 974333174 /nfs/dbraw/zinc/33/31/74/974333174.db2.gz SZVRPGOXKPZJAV-RYUDHWBXSA-N 2 1 246.395 1.891 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCSCC2)CC[C@@H]1F ZINC001206156882 974333181 /nfs/dbraw/zinc/33/31/81/974333181.db2.gz SZVRPGOXKPZJAV-RYUDHWBXSA-N 2 1 246.395 1.891 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098396 974340262 /nfs/dbraw/zinc/34/02/62/974340262.db2.gz CYQVCAKMRKWFNU-RKQHYHRCSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098396 974340266 /nfs/dbraw/zinc/34/02/66/974340266.db2.gz CYQVCAKMRKWFNU-RKQHYHRCSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001206156411 974341877 /nfs/dbraw/zinc/34/18/77/974341877.db2.gz QOJBXOQDGKMBQV-XQQFMLRXSA-N 2 1 243.370 1.089 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001172100485 974345857 /nfs/dbraw/zinc/34/58/57/974345857.db2.gz RILOGWYMCLWQBF-XVIXHAIJSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001172100485 974345864 /nfs/dbraw/zinc/34/58/64/974345864.db2.gz RILOGWYMCLWQBF-XVIXHAIJSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccnc1C[NH3+])C2 ZINC001172100772 974347575 /nfs/dbraw/zinc/34/75/75/974347575.db2.gz SUFGYTGBEOJMOU-ZSBIGDGJSA-N 2 1 234.347 1.530 20 0 BDADMP COCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100293 974347660 /nfs/dbraw/zinc/34/76/60/974347660.db2.gz OQQBUOZHLAAILV-XYYAHUGASA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc(CC[NH3+])n1)C2 ZINC001172101831 974361313 /nfs/dbraw/zinc/36/13/13/974361313.db2.gz BUNPHBROVSPDJC-WDNDVIMCSA-N 2 1 248.374 1.572 20 0 BDADMP CSCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102104 974362535 /nfs/dbraw/zinc/36/25/35/974362535.db2.gz JTSRSFHEXGHUQQ-CNDDSTCGSA-N 2 1 228.405 1.954 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001172108184 974364056 /nfs/dbraw/zinc/36/40/56/974364056.db2.gz RILOGWYMCLWQBF-RGDJUOJXSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001172108184 974364064 /nfs/dbraw/zinc/36/40/64/974364064.db2.gz RILOGWYMCLWQBF-RGDJUOJXSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc(C[NH3+])n1)C2 ZINC001172103684 974366266 /nfs/dbraw/zinc/36/62/66/974366266.db2.gz WUAYQIMGDBPNJL-ITGUQSILSA-N 2 1 234.347 1.530 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccnc1C(N)=[NH2+])C2 ZINC001172108327 974374346 /nfs/dbraw/zinc/37/43/46/974374346.db2.gz UMHAEIFOWVEQJA-URLYPYJESA-N 2 1 247.346 1.355 20 0 BDADMP CCOC1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172115881 974383035 /nfs/dbraw/zinc/38/30/35/974383035.db2.gz AIHOJYWZJBXWMD-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC([NH3+])C1)C2 ZINC001172117573 974385404 /nfs/dbraw/zinc/38/54/04/974385404.db2.gz MUDJFGKRVDKVFP-PAZDGXDMSA-N 2 1 223.364 1.081 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001172121125 974388193 /nfs/dbraw/zinc/38/81/93/974388193.db2.gz PEFDWIARBNEUKG-RVOPOGNISA-N 2 1 220.360 1.953 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001172121125 974388202 /nfs/dbraw/zinc/38/82/02/974388202.db2.gz PEFDWIARBNEUKG-RVOPOGNISA-N 2 1 220.360 1.953 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001172121125 974388209 /nfs/dbraw/zinc/38/82/09/974388209.db2.gz PEFDWIARBNEUKG-RVOPOGNISA-N 2 1 220.360 1.953 20 0 BDADMP C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172217002 974442051 /nfs/dbraw/zinc/44/20/51/974442051.db2.gz UVRDCZYVFWYWJB-YHWZYXNKSA-N 2 1 224.348 1.380 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccn1C1CC1 ZINC001330830096 974495259 /nfs/dbraw/zinc/49/52/59/974495259.db2.gz NMTSCELZQIGQQK-UHFFFAOYSA-N 2 1 244.342 1.889 20 0 BDADMP CCOCC[C@@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC001172422678 974697626 /nfs/dbraw/zinc/69/76/26/974697626.db2.gz GZQHXJKDYXTEKO-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP CCC1([NH3+])CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001331410344 974710933 /nfs/dbraw/zinc/71/09/33/974710933.db2.gz RZBNYSYWGKRDLG-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP Cc1cc(OCCN2C[C@H]3CC[C@@H](C2)O3)cc[nH+]1 ZINC001331477399 974736791 /nfs/dbraw/zinc/73/67/91/974736791.db2.gz XQLOFPSNXPKHGJ-OKILXGFUSA-N 2 1 248.326 1.632 20 0 BDADMP C[N@H+]1CC[C@@H](NCCC[NH+]2CCC2)CC1(C)C ZINC001331503651 974744027 /nfs/dbraw/zinc/74/40/27/974744027.db2.gz KIJFRQIBUNUFCL-CYBMUJFWSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCC2)CC1(C)C ZINC001331503651 974744031 /nfs/dbraw/zinc/74/40/31/974744031.db2.gz KIJFRQIBUNUFCL-CYBMUJFWSA-N 3 1 239.407 1.545 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCCN2CCC2)CC1(C)C ZINC001331503651 974744033 /nfs/dbraw/zinc/74/40/33/974744033.db2.gz KIJFRQIBUNUFCL-CYBMUJFWSA-N 3 1 239.407 1.545 20 0 BDADMP CC[C@@H](CC(C)C)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172394949 974746427 /nfs/dbraw/zinc/74/64/27/974746427.db2.gz HIZVKISCVSZKDR-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]CC1([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716593 974905203 /nfs/dbraw/zinc/90/52/03/974905203.db2.gz ROGZWLBSABNVFV-GFCCVEGCSA-N 2 1 236.746 1.888 20 0 BDADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H]([NH3+])C1)CC2 ZINC001172825401 974949040 /nfs/dbraw/zinc/94/90/40/974949040.db2.gz GSRMXLWBIFGXHE-HUUCEWRRSA-N 2 1 230.355 1.885 20 0 BDADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]([NH3+])C1)CC2 ZINC001172825401 974949049 /nfs/dbraw/zinc/94/90/49/974949049.db2.gz GSRMXLWBIFGXHE-HUUCEWRRSA-N 2 1 230.355 1.885 20 0 BDADMP CO[C@@H]1CCC[C@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001172934124 974987863 /nfs/dbraw/zinc/98/78/63/974987863.db2.gz QDCFBZTTYMTATP-NWDGAFQWSA-N 2 1 237.347 1.905 20 0 BDADMP CC[NH+](CC)C1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001173110641 975024259 /nfs/dbraw/zinc/02/42/59/975024259.db2.gz QGBZWABTZNXOSK-UHFFFAOYSA-N 3 1 239.407 1.720 20 0 BDADMP [NH3+]CC1([NH2+][C@H]2CCc3ncsc3C2)CC1 ZINC001173132425 975040417 /nfs/dbraw/zinc/04/04/17/975040417.db2.gz QIWTVWVVLZZIHC-QMMMGPOBSA-N 2 1 223.345 1.081 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171496 975065811 /nfs/dbraw/zinc/06/58/11/975065811.db2.gz XMGKHLIQBKAUEV-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173171496 975065818 /nfs/dbraw/zinc/06/58/18/975065818.db2.gz XMGKHLIQBKAUEV-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP CCN1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001173349582 975292496 /nfs/dbraw/zinc/29/24/96/975292496.db2.gz IODDHLKLXMVVHU-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001173348562 975292916 /nfs/dbraw/zinc/29/29/16/975292916.db2.gz RBSJRUBBYWGPEL-UONOGXRCSA-N 2 1 245.370 1.471 20 0 BDADMP CC[N@H+]1CC[C@H](n2ccc([C@@H](C)[NH3+])n2)C1 ZINC001173350664 975297259 /nfs/dbraw/zinc/29/72/59/975297259.db2.gz OJBOLRFFKOORBP-ZJUUUORDSA-N 2 1 208.309 1.170 20 0 BDADMP CC1CC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001332866323 975299098 /nfs/dbraw/zinc/29/90/98/975299098.db2.gz QADMGOTYUXYFKM-BPCQOVAHSA-N 2 1 238.375 1.533 20 0 BDADMP CC[N@H+]1CC[C@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001173352647 975300935 /nfs/dbraw/zinc/30/09/35/975300935.db2.gz SYABDVMDCZQDOY-ZDUSSCGKSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C2CC[NH+](C)CC2)C1 ZINC001173356351 975313812 /nfs/dbraw/zinc/31/38/12/975313812.db2.gz HDZDQVUFPCBWLM-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[NH+](CC)CC2)C1 ZINC001173356077 975314391 /nfs/dbraw/zinc/31/43/91/975314391.db2.gz FAQVCPZCZAVETP-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[N@H+](CC)CC2)C1 ZINC001173356077 975314395 /nfs/dbraw/zinc/31/43/95/975314395.db2.gz FAQVCPZCZAVETP-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[N@@H+](CC)CC2)C1 ZINC001173356077 975314402 /nfs/dbraw/zinc/31/44/02/975314402.db2.gz FAQVCPZCZAVETP-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001173365469 975342604 /nfs/dbraw/zinc/34/26/04/975342604.db2.gz ISCPINRJQWWBIP-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CCCN(CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC001173366614 975349078 /nfs/dbraw/zinc/34/90/78/975349078.db2.gz ALEPIHOFYNHKQJ-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001173371122 975356009 /nfs/dbraw/zinc/35/60/09/975356009.db2.gz KKDJSZILYYJXHD-CHWSQXEVSA-N 2 1 248.374 1.617 20 0 BDADMP COC(=O)CCCC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001173439883 975377339 /nfs/dbraw/zinc/37/73/39/975377339.db2.gz YEZAKMXFMGAOMT-JTQLQIEISA-N 2 1 230.352 1.435 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2(C[NH3+])CC2)C1 ZINC001173648786 975507376 /nfs/dbraw/zinc/50/73/76/975507376.db2.gz HGGGQURDVWNBHY-MNOVXSKESA-N 2 1 240.347 1.189 20 0 BDADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2(C[NH3+])CC2)C1 ZINC001173648794 975513001 /nfs/dbraw/zinc/51/30/01/975513001.db2.gz HGGGQURDVWNBHY-WDEREUQCSA-N 2 1 240.347 1.189 20 0 BDADMP CC1(C)CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001333529598 975832393 /nfs/dbraw/zinc/83/23/93/975832393.db2.gz OPCQYEUNLNUYRM-LBPRGKRZSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+]CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC001334391063 976487434 /nfs/dbraw/zinc/48/74/34/976487434.db2.gz QOCLJYUKTZXGHY-LJISPDSOSA-N 3 1 245.370 1.274 20 0 BDADMP OC1(C[NH2+][C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001335354191 976991043 /nfs/dbraw/zinc/99/10/43/976991043.db2.gz XQUSWWCSTIUBTL-LBPRGKRZSA-N 2 1 249.358 1.483 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335428043 977048353 /nfs/dbraw/zinc/04/83/53/977048353.db2.gz ATQFONHLUXGEKY-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+]1CC[C@@H](N2Cc3ccccc3C[C@@H]2C[NH3+])C1 ZINC000721641232 977635399 /nfs/dbraw/zinc/63/53/99/977635399.db2.gz NNQNCSGVUAJADH-HUUCEWRRSA-N 2 1 245.370 1.076 20 0 BDADMP COCC[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012261 977840346 /nfs/dbraw/zinc/84/03/46/977840346.db2.gz XMHCVPXWCZDRMW-UHFFFAOYSA-N 2 1 219.288 1.641 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012323 977840617 /nfs/dbraw/zinc/84/06/17/977840617.db2.gz YSTGVATUFLOZMR-BXKDBHETSA-N 2 1 231.299 1.518 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015689 977844080 /nfs/dbraw/zinc/84/40/80/977844080.db2.gz LAGQHWBXERBZLP-GXFFZTMASA-N 2 1 245.326 1.908 20 0 BDADMP Cc1cc(Nc2c[nH+]ncc2N)cc(C)[nH+]1 ZINC001176054131 977903732 /nfs/dbraw/zinc/90/37/32/977903732.db2.gz QVJUQFUSYJSZFL-UHFFFAOYSA-N 2 1 215.260 1.236 20 0 BDADMP COC1(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)CCC1 ZINC001336754321 977922987 /nfs/dbraw/zinc/92/29/87/977922987.db2.gz IDOCFIQXHOBKCS-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)CCC1 ZINC001336754321 977922992 /nfs/dbraw/zinc/92/29/92/977922992.db2.gz IDOCFIQXHOBKCS-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC001336754321 977923000 /nfs/dbraw/zinc/92/30/00/977923000.db2.gz IDOCFIQXHOBKCS-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC001336754321 977923003 /nfs/dbraw/zinc/92/30/03/977923003.db2.gz IDOCFIQXHOBKCS-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP Cn1cc[nH+]c1[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001336908905 978048405 /nfs/dbraw/zinc/04/84/05/978048405.db2.gz JXVIPHXXGSUSME-NSHDSACASA-N 2 1 228.299 1.809 20 0 BDADMP CC[N@H+]1CC[C@@H](OCCC[NH+](C)C)C1 ZINC001206286698 978219093 /nfs/dbraw/zinc/21/90/93/978219093.db2.gz NFMYRMBCZJMEEZ-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP CC[N@@H+]1CC[C@H](NCC[NH+]2CCC(C)CC2)C1 ZINC000328357733 978304853 /nfs/dbraw/zinc/30/48/53/978304853.db2.gz PHMXLTNFGHTLOZ-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC(C)CC2)C1 ZINC000328357733 978304868 /nfs/dbraw/zinc/30/48/68/978304868.db2.gz PHMXLTNFGHTLOZ-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(N)n2)CC1 ZINC001206317873 978515488 /nfs/dbraw/zinc/51/54/88/978515488.db2.gz KENHCPKYHBLFKM-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001206337320 978601903 /nfs/dbraw/zinc/60/19/03/978601903.db2.gz SYGFTWYRBFFCPC-QWHCGFSZSA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001206337320 978601908 /nfs/dbraw/zinc/60/19/08/978601908.db2.gz SYGFTWYRBFFCPC-QWHCGFSZSA-N 2 1 244.354 1.566 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)n1C ZINC001179816467 978760696 /nfs/dbraw/zinc/76/06/96/978760696.db2.gz LTWYPCOMOXXREF-IACUBPJLSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)n1C ZINC001179816467 978760699 /nfs/dbraw/zinc/76/06/99/978760699.db2.gz LTWYPCOMOXXREF-IACUBPJLSA-N 2 1 248.374 1.158 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2CO)CC1 ZINC001180038966 978808897 /nfs/dbraw/zinc/80/88/97/978808897.db2.gz HAYFGTNTKNEPQM-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CCC[C@@H](C)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234981557 978941055 /nfs/dbraw/zinc/94/10/55/978941055.db2.gz OHGOMNOOOPYPHN-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042579 978960367 /nfs/dbraw/zinc/96/03/67/978960367.db2.gz XRDPMKXCKLXEEB-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042579 978960371 /nfs/dbraw/zinc/96/03/71/978960371.db2.gz XRDPMKXCKLXEEB-ZDUSSCGKSA-N 2 1 225.380 1.333 20 0 BDADMP CCC(CC)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053820 978965351 /nfs/dbraw/zinc/96/53/51/978965351.db2.gz KVKGXKGEXIMERC-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP Cc1ccccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051780 978966040 /nfs/dbraw/zinc/96/60/40/978966040.db2.gz LRFBTUSQAATNMF-OAHLLOKOSA-N 2 1 245.370 1.132 20 0 BDADMP Cc1ccccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051780 978966046 /nfs/dbraw/zinc/96/60/46/978966046.db2.gz LRFBTUSQAATNMF-OAHLLOKOSA-N 2 1 245.370 1.132 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235092839 978972939 /nfs/dbraw/zinc/97/29/39/978972939.db2.gz WSBNBCIFXQMLKS-NSHDSACASA-N 3 1 247.333 1.046 20 0 BDADMP [NH3+]CCCC[N@@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235092839 978972945 /nfs/dbraw/zinc/97/29/45/978972945.db2.gz WSBNBCIFXQMLKS-NSHDSACASA-N 2 1 247.333 1.046 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235092839 978972950 /nfs/dbraw/zinc/97/29/50/978972950.db2.gz WSBNBCIFXQMLKS-NSHDSACASA-N 2 1 247.333 1.046 20 0 BDADMP CN(C)CC[NH+]1CC2(C1)CC[NH+](C1CC1)CC2 ZINC001277923798 978976884 /nfs/dbraw/zinc/97/68/84/978976884.db2.gz LSIYTHBDUSSRDZ-UHFFFAOYSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH2+]CCCN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232660 978998837 /nfs/dbraw/zinc/99/88/37/978998837.db2.gz KWYXXRWBHGPBIR-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP C(C1C[NH2+]C1)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230288 978999474 /nfs/dbraw/zinc/99/94/74/978999474.db2.gz ABXHJHUFBNAGSI-AWEZNQCLSA-N 2 1 237.391 1.060 20 0 BDADMP [NH3+]CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001235294560 979019087 /nfs/dbraw/zinc/01/90/87/979019087.db2.gz PJYCRFYFALWYRY-AOOOYVTPSA-N 2 1 218.291 1.702 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001235673411 979111449 /nfs/dbraw/zinc/11/14/49/979111449.db2.gz GCKHDQANESNWGL-AWEZNQCLSA-N 2 1 234.343 1.879 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC001235675371 979113869 /nfs/dbraw/zinc/11/38/69/979113869.db2.gz WUFRJQFFYKZZHX-OCCSQVGLSA-N 2 1 233.359 1.322 20 0 BDADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCO)CC1 ZINC001235675794 979114633 /nfs/dbraw/zinc/11/46/33/979114633.db2.gz MOHILTHGCSQQPP-UHFFFAOYSA-N 2 1 214.353 1.031 20 0 BDADMP CC1(C)CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235692048 979122368 /nfs/dbraw/zinc/12/23/68/979122368.db2.gz ZISWGKGGSQSPTH-JTQLQIEISA-N 2 1 212.337 1.443 20 0 BDADMP CC1(C)CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235692048 979122375 /nfs/dbraw/zinc/12/23/75/979122375.db2.gz ZISWGKGGSQSPTH-JTQLQIEISA-N 2 1 212.337 1.443 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC001235690724 979123169 /nfs/dbraw/zinc/12/31/69/979123169.db2.gz LIDQRJPSUCHLEY-NSHDSACASA-N 2 1 226.364 1.833 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001235691635 979124436 /nfs/dbraw/zinc/12/44/36/979124436.db2.gz LNGNYXVUBAKNME-ZDUSSCGKSA-N 2 1 235.331 1.274 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC(C)(C)CO)C[C@H]2CC1 ZINC001277963506 979128579 /nfs/dbraw/zinc/12/85/79/979128579.db2.gz LTNSLWQMPCPMFZ-BETUJISGSA-N 2 1 240.391 1.279 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC(C)(C)CO)C[C@H]2CC1 ZINC001277963506 979128587 /nfs/dbraw/zinc/12/85/87/979128587.db2.gz LTNSLWQMPCPMFZ-BETUJISGSA-N 2 1 240.391 1.279 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC(C)(C)CO)C[C@H]2CC1 ZINC001277963506 979128591 /nfs/dbraw/zinc/12/85/91/979128591.db2.gz LTNSLWQMPCPMFZ-BETUJISGSA-N 2 1 240.391 1.279 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001235735165 979139635 /nfs/dbraw/zinc/13/96/35/979139635.db2.gz KWYDSIOMIJBLOA-UHFFFAOYSA-N 2 1 239.750 1.832 20 0 BDADMP CC[C@H]1CNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235768296 979143852 /nfs/dbraw/zinc/14/38/52/979143852.db2.gz FNGPUUVEVCPTGR-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC001235768296 979143856 /nfs/dbraw/zinc/14/38/56/979143856.db2.gz FNGPUUVEVCPTGR-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[C@@H](N)C[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235892424 979182977 /nfs/dbraw/zinc/18/29/77/979182977.db2.gz QJNHDAAQBZEBCT-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@@H](N)C[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235892424 979182983 /nfs/dbraw/zinc/18/29/83/979182983.db2.gz QJNHDAAQBZEBCT-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP CCc1[nH]c(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(C)[nH+]1 ZINC001235976641 979245350 /nfs/dbraw/zinc/24/53/50/979245350.db2.gz BEJGNUOIFWEFBT-ZWNOBZJWSA-N 2 1 234.347 1.204 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235980964 979259854 /nfs/dbraw/zinc/25/98/54/979259854.db2.gz SQOCATRWCNZMMI-OCCSQVGLSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235980964 979259867 /nfs/dbraw/zinc/25/98/67/979259867.db2.gz SQOCATRWCNZMMI-OCCSQVGLSA-N 3 1 237.391 1.141 20 0 BDADMP Cc1ccsc1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235982270 979261594 /nfs/dbraw/zinc/26/15/94/979261594.db2.gz UYMJPWYLIQCGRO-ZYHUDNBSSA-N 2 1 222.357 1.980 20 0 BDADMP Cc1ccsc1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235982270 979261607 /nfs/dbraw/zinc/26/16/07/979261607.db2.gz UYMJPWYLIQCGRO-ZYHUDNBSSA-N 2 1 222.357 1.980 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1ccncc1)C2 ZINC001235981798 979262442 /nfs/dbraw/zinc/26/24/42/979262442.db2.gz XJHYLVLBRUBAEH-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC001235981798 979262458 /nfs/dbraw/zinc/26/24/58/979262458.db2.gz XJHYLVLBRUBAEH-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001236019709 979311930 /nfs/dbraw/zinc/31/19/30/979311930.db2.gz ZRLIYHLOWOGQEE-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001236019709 979311945 /nfs/dbraw/zinc/31/19/45/979311945.db2.gz ZRLIYHLOWOGQEE-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001236042533 979337646 /nfs/dbraw/zinc/33/76/46/979337646.db2.gz PQUTXONSVMJAGW-CYBMUJFWSA-N 2 1 226.364 1.474 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001236040537 979340015 /nfs/dbraw/zinc/34/00/15/979340015.db2.gz FIGHKOQEWVDCPN-CYBMUJFWSA-N 2 1 235.331 1.274 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC[NH3+] ZINC001236091607 979380975 /nfs/dbraw/zinc/38/09/75/979380975.db2.gz XDFJCBBXHNCECW-FOSCPWQOSA-N 2 1 212.337 1.367 20 0 BDADMP C[N@H+](CCCC[NH3+])CC(=O)c1ccccc1 ZINC001236089453 979381272 /nfs/dbraw/zinc/38/12/72/979381272.db2.gz SPPZQNIKXPQQDB-UHFFFAOYSA-N 2 1 220.316 1.540 20 0 BDADMP C[N@@H+](CCCC[NH3+])CC(=O)c1ccccc1 ZINC001236089453 979381276 /nfs/dbraw/zinc/38/12/76/979381276.db2.gz SPPZQNIKXPQQDB-UHFFFAOYSA-N 2 1 220.316 1.540 20 0 BDADMP Nc1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC001236107303 979392064 /nfs/dbraw/zinc/39/20/64/979392064.db2.gz RFFQNHSKSSRZSY-GFCCVEGCSA-N 2 1 245.370 1.627 20 0 BDADMP C[C@H]([NH3+])C[N@H+](Cc1ccccc1)CC(C)(C)O ZINC001236111556 979395291 /nfs/dbraw/zinc/39/52/91/979395291.db2.gz KTKQMSREFWNASE-LBPRGKRZSA-N 2 1 236.359 1.607 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001236111556 979395299 /nfs/dbraw/zinc/39/52/99/979395299.db2.gz KTKQMSREFWNASE-LBPRGKRZSA-N 2 1 236.359 1.607 20 0 BDADMP CC[N@@H+](CCN)CC1CC2(C1)CC[NH2+]CC2 ZINC001236140943 979408829 /nfs/dbraw/zinc/40/88/29/979408829.db2.gz BGSABIOVHJWMDB-UHFFFAOYSA-N 2 1 225.380 1.047 20 0 BDADMP CCN(CC[NH3+])CC1CC2(C1)CC[NH2+]CC2 ZINC001236140943 979408838 /nfs/dbraw/zinc/40/88/38/979408838.db2.gz BGSABIOVHJWMDB-UHFFFAOYSA-N 2 1 225.380 1.047 20 0 BDADMP CCC[N@@H+](CCCC[NH3+])C1CCOCC1 ZINC001236180859 979440456 /nfs/dbraw/zinc/44/04/56/979440456.db2.gz ATDJMVRSEFJZHM-UHFFFAOYSA-N 2 1 214.353 1.616 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1N ZINC001236214205 979455319 /nfs/dbraw/zinc/45/53/19/979455319.db2.gz RHJBCBZXQNYHAU-KBPBESRZSA-N 2 1 239.407 1.578 20 0 BDADMP CN(CCC1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214205 979455325 /nfs/dbraw/zinc/45/53/25/979455325.db2.gz RHJBCBZXQNYHAU-KBPBESRZSA-N 2 1 239.407 1.578 20 0 BDADMP Nc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001236233870 979458450 /nfs/dbraw/zinc/45/84/50/979458450.db2.gz UMDZLCZLYCSZNI-UHFFFAOYSA-N 2 1 245.370 1.627 20 0 BDADMP C[N@@H+](CCCCCO)C1(C)CC[NH2+]CC1 ZINC001236224659 979458530 /nfs/dbraw/zinc/45/85/30/979458530.db2.gz UVNMURKQVMNREQ-UHFFFAOYSA-N 2 1 214.353 1.223 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315561 979528718 /nfs/dbraw/zinc/52/87/18/979528718.db2.gz LHRJLUGWGLNSDP-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315561 979528724 /nfs/dbraw/zinc/52/87/24/979528724.db2.gz LHRJLUGWGLNSDP-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315561 979528733 /nfs/dbraw/zinc/52/87/33/979528733.db2.gz LHRJLUGWGLNSDP-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236336573 979535786 /nfs/dbraw/zinc/53/57/86/979535786.db2.gz SCZBKGSYBYWNPJ-LLVKDONJSA-N 2 1 233.359 1.795 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236416697 979591497 /nfs/dbraw/zinc/59/14/97/979591497.db2.gz VVHIJUOUHWISHR-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC001236416697 979591499 /nfs/dbraw/zinc/59/14/99/979591499.db2.gz VVHIJUOUHWISHR-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H](N)CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236416697 979591504 /nfs/dbraw/zinc/59/15/04/979591504.db2.gz VVHIJUOUHWISHR-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H](N)CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236416697 979591511 /nfs/dbraw/zinc/59/15/11/979591511.db2.gz VVHIJUOUHWISHR-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206541516 979642680 /nfs/dbraw/zinc/64/26/80/979642680.db2.gz IFLYDCLYPCQZSA-KBPBESRZSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206541516 979642690 /nfs/dbraw/zinc/64/26/90/979642690.db2.gz IFLYDCLYPCQZSA-KBPBESRZSA-N 3 1 239.407 1.437 20 0 BDADMP Cc1cnccc1O[C@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001236665904 979687101 /nfs/dbraw/zinc/68/71/01/979687101.db2.gz XLVSROVMCUGPII-ZDUSSCGKSA-N 3 1 249.358 1.582 20 0 BDADMP Cc1nccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)n1 ZINC001206549844 979701020 /nfs/dbraw/zinc/70/10/20/979701020.db2.gz QVMFRFNZRDWQJB-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1nccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)n1 ZINC001206549844 979701028 /nfs/dbraw/zinc/70/10/28/979701028.db2.gz QVMFRFNZRDWQJB-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1cnc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206549656 979701578 /nfs/dbraw/zinc/70/15/78/979701578.db2.gz PPOXOTJTEULLSB-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1cnc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206549656 979701587 /nfs/dbraw/zinc/70/15/87/979701587.db2.gz PPOXOTJTEULLSB-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769522 979723280 /nfs/dbraw/zinc/72/32/80/979723280.db2.gz XGOVCNQSGOZTJU-HAQNSBGRSA-N 2 1 228.380 1.597 20 0 BDADMP C[N@H+]1CCC[C@@H](CN2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254867 979729289 /nfs/dbraw/zinc/72/92/89/979729289.db2.gz CYEKORMZQNZYEX-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254867 979729295 /nfs/dbraw/zinc/72/92/95/979729295.db2.gz CYEKORMZQNZYEX-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254867 979729299 /nfs/dbraw/zinc/72/92/99/979729299.db2.gz CYEKORMZQNZYEX-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254867 979729305 /nfs/dbraw/zinc/72/93/05/979729305.db2.gz CYEKORMZQNZYEX-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254867 979729309 /nfs/dbraw/zinc/72/93/09/979729309.db2.gz CYEKORMZQNZYEX-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP CN1CCC[C@@H](C[N@@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254867 979729316 /nfs/dbraw/zinc/72/93/16/979729316.db2.gz CYEKORMZQNZYEX-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@@H](C[N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254867 979729322 /nfs/dbraw/zinc/72/93/22/979729322.db2.gz CYEKORMZQNZYEX-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP CCC[N@@H+](CCCCCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC001236833909 979747097 /nfs/dbraw/zinc/74/70/97/979747097.db2.gz DHLWHRPVZUTZPS-CQSZACIVSA-N 3 1 241.423 1.827 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001205256925 979747422 /nfs/dbraw/zinc/74/74/22/979747422.db2.gz SHTMOVRJQBKJSF-STQMWFEESA-N 2 1 226.364 1.759 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001205256920 979749867 /nfs/dbraw/zinc/74/98/67/979749867.db2.gz SHTMOVRJQBKJSF-CHWSQXEVSA-N 2 1 226.364 1.759 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205257429 979759667 /nfs/dbraw/zinc/75/96/67/979759667.db2.gz VMRKGEUVDZLJHN-STQMWFEESA-N 2 1 224.348 1.882 20 0 BDADMP CC[C@H]([NH3+])CN(C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236860549 979765392 /nfs/dbraw/zinc/76/53/92/979765392.db2.gz RARCMZPDXMAWPY-GARJFASQSA-N 2 1 249.349 1.146 20 0 BDADMP C[NH+](C)CCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001278049489 979813540 /nfs/dbraw/zinc/81/35/40/979813540.db2.gz LBDBXEARLJNTNW-OKILXGFUSA-N 3 1 239.407 1.212 20 0 BDADMP C[NH+](C)CCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001278049489 979813545 /nfs/dbraw/zinc/81/35/45/979813545.db2.gz LBDBXEARLJNTNW-OKILXGFUSA-N 3 1 239.407 1.212 20 0 BDADMP C[NH+](C)CCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001278049489 979813547 /nfs/dbraw/zinc/81/35/47/979813547.db2.gz LBDBXEARLJNTNW-OKILXGFUSA-N 3 1 239.407 1.212 20 0 BDADMP CN(C)CCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001278049489 979813554 /nfs/dbraw/zinc/81/35/54/979813554.db2.gz LBDBXEARLJNTNW-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP CN(C)CCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001278049489 979813559 /nfs/dbraw/zinc/81/35/59/979813559.db2.gz LBDBXEARLJNTNW-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP CN(C)CCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001278049489 979813561 /nfs/dbraw/zinc/81/35/61/979813561.db2.gz LBDBXEARLJNTNW-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP CN(C)CCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001278049489 979813563 /nfs/dbraw/zinc/81/35/63/979813563.db2.gz LBDBXEARLJNTNW-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP C[NH+](C)CCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001278048645 979814067 /nfs/dbraw/zinc/81/40/67/979814067.db2.gz QEGVAYVITROLOG-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP C1=C2NCC[N@H+](CC[C@@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001237220998 979853326 /nfs/dbraw/zinc/85/33/26/979853326.db2.gz URQAAOVYKSKXFA-ZFWWWQNUSA-N 2 1 249.402 1.718 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(O)cn2)CC1 ZINC001205281157 979877978 /nfs/dbraw/zinc/87/79/78/979877978.db2.gz QKQIUPPKBCDIAV-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cn2)CC1 ZINC001205281157 979877984 /nfs/dbraw/zinc/87/79/84/979877984.db2.gz QKQIUPPKBCDIAV-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP CC1(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237384317 979881091 /nfs/dbraw/zinc/88/10/91/979881091.db2.gz VRNGSRHYNJOGMC-NWDGAFQWSA-N 2 1 224.348 1.097 20 0 BDADMP C[NH+](C)CCCc1cc[nH+]c(N2CCOCC2)c1 ZINC001250164247 980123192 /nfs/dbraw/zinc/12/31/92/980123192.db2.gz HORBYURPSZYRJO-UHFFFAOYSA-N 2 1 249.358 1.412 20 0 BDADMP COC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238103648 980151664 /nfs/dbraw/zinc/15/16/64/980151664.db2.gz NXOLCMBUDLXUFY-UHFFFAOYSA-N 2 1 245.326 1.945 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238103133 980151858 /nfs/dbraw/zinc/15/18/58/980151858.db2.gz LKUFSLKSROQLSZ-ZWNOBZJWSA-N 2 1 231.299 1.289 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238103133 980151866 /nfs/dbraw/zinc/15/18/66/980151866.db2.gz LKUFSLKSROQLSZ-ZWNOBZJWSA-N 2 1 231.299 1.289 20 0 BDADMP COC(=O)CC[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238110272 980160219 /nfs/dbraw/zinc/16/02/19/980160219.db2.gz MJPVIWCANKGSME-UHFFFAOYSA-N 2 1 247.298 1.329 20 0 BDADMP C[N@@H+](Cc1cccc2c[nH+]cn21)[C@@H]1CCCOC1 ZINC001238112141 980164076 /nfs/dbraw/zinc/16/40/76/980164076.db2.gz BLAXYRKXHJOORK-CQSZACIVSA-N 2 1 245.326 1.945 20 0 BDADMP Cc1ncncc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001238168708 980202175 /nfs/dbraw/zinc/20/21/75/980202175.db2.gz SOCPSKMQHJKJKB-OCCSQVGLSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1ncncc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001238168708 980202183 /nfs/dbraw/zinc/20/21/83/980202183.db2.gz SOCPSKMQHJKJKB-OCCSQVGLSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1ncncc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001238168708 980202190 /nfs/dbraw/zinc/20/21/90/980202190.db2.gz SOCPSKMQHJKJKB-OCCSQVGLSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1ncncc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001238168708 980202194 /nfs/dbraw/zinc/20/21/94/980202194.db2.gz SOCPSKMQHJKJKB-OCCSQVGLSA-N 2 1 246.358 1.169 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@](C)(CO)C2)CC[NH2+]1 ZINC001345100910 980546978 /nfs/dbraw/zinc/54/69/78/980546978.db2.gz VVRWOIDPGFLETD-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@](C)(CO)C2)CC[NH2+]1 ZINC001345100911 980548099 /nfs/dbraw/zinc/54/80/99/980548099.db2.gz VVRWOIDPGFLETD-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH+](C)Cc1cccc(CC[NH+]2CCOCC2)c1 ZINC001250277651 980651298 /nfs/dbraw/zinc/65/12/98/980651298.db2.gz KQWUORJTSRIQAE-UHFFFAOYSA-N 2 1 248.370 1.623 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccccn2)CC[C@@H]1C[NH3+] ZINC001205601759 981160043 /nfs/dbraw/zinc/16/00/43/981160043.db2.gz GEBQJEKLJJOSOJ-QWHCGFSZSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602412 981163495 /nfs/dbraw/zinc/16/34/95/981163495.db2.gz IWQZNPYRBHTPAE-LPWJVIDDSA-N 2 1 210.365 1.949 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2)CC[C@H]1C[NH3+] ZINC001205604781 981182288 /nfs/dbraw/zinc/18/22/88/981182288.db2.gz WYHHFJJMHMZYPY-JSGCOSHPSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc[nH]c2=O)CC[C@H]1C[NH3+] ZINC001205617740 981222396 /nfs/dbraw/zinc/22/23/96/981222396.db2.gz NAXGHAMGKYDXPY-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccon2)CC[C@H]1C[NH3+] ZINC001205618292 981224950 /nfs/dbraw/zinc/22/49/50/981224950.db2.gz UGPFXTOIWXGJPC-QWRGUYRKSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnn2)CC[C@H]1C[NH3+] ZINC001205626550 981275082 /nfs/dbraw/zinc/27/50/82/981275082.db2.gz HBXWLCWHWXEKPY-RYUDHWBXSA-N 2 1 234.347 1.283 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnn(C(C)C)c1 ZINC001348515341 981379782 /nfs/dbraw/zinc/37/97/82/981379782.db2.gz LLEZDMAUGJTKDW-LLVKDONJSA-N 2 1 224.352 1.552 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cccnc1 ZINC001348853226 981460750 /nfs/dbraw/zinc/46/07/50/981460750.db2.gz SNBYDXPTRMPBCV-WDEREUQCSA-N 2 1 207.321 1.730 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2c[nH]ccc2=O)CC[C@H]1C[NH3+] ZINC001205652256 981547533 /nfs/dbraw/zinc/54/75/33/981547533.db2.gz OSZUYEDZMWJYSN-RYUDHWBXSA-N 2 1 249.358 1.182 20 0 BDADMP O[C@@H](C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1 ZINC001580884566 981697720 /nfs/dbraw/zinc/69/77/20/981697720.db2.gz HREQYDVBBNWBFH-ILXRZTDVSA-N 2 1 246.354 1.261 20 0 BDADMP CNc1cc(C=C2CC[NH2+]CC2)cc[nH+]1 ZINC001240877396 981929473 /nfs/dbraw/zinc/92/94/73/981929473.db2.gz ILUIVUUZAOJGHN-UHFFFAOYSA-N 2 1 203.289 1.890 20 0 BDADMP C[C@@H](Cc1nc(C2([NH3+])CC2)no1)n1ccnc1 ZINC001350693844 982050930 /nfs/dbraw/zinc/05/09/30/982050930.db2.gz PTONJMOZJAQZII-QMMMGPOBSA-N 2 1 233.275 1.018 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001205806624 982571682 /nfs/dbraw/zinc/57/16/82/982571682.db2.gz UYTXXUXTTPSFPS-IWMBGFJWSA-N 2 1 237.391 1.317 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CCC23CC([NH3+])(C2)C3)C1 ZINC001205806624 982571688 /nfs/dbraw/zinc/57/16/88/982571688.db2.gz UYTXXUXTTPSFPS-IWMBGFJWSA-N 2 1 237.391 1.317 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001205807118 982573961 /nfs/dbraw/zinc/57/39/61/982573961.db2.gz YAVAFCARIQLJSA-OCCSQVGLSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])N(CCC2CC[NH2+]CC2)C1 ZINC001205807118 982573964 /nfs/dbraw/zinc/57/39/64/982573964.db2.gz YAVAFCARIQLJSA-OCCSQVGLSA-N 2 1 239.407 1.435 20 0 BDADMP COC1(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCC1 ZINC001352874605 982612886 /nfs/dbraw/zinc/61/28/86/982612886.db2.gz ANBLYCBXZHVBBS-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001205832108 982686809 /nfs/dbraw/zinc/68/68/09/982686809.db2.gz ZMRLZEYZEIPNSF-IUODEOHRSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001205832108 982686819 /nfs/dbraw/zinc/68/68/19/982686819.db2.gz ZMRLZEYZEIPNSF-IUODEOHRSA-N 3 1 247.386 1.705 20 0 BDADMP C[NH+](C)Cc1cccc(C2=CCC[N@@H+](C)C2)n1 ZINC001241568573 982816922 /nfs/dbraw/zinc/81/69/22/982816922.db2.gz HRZUBDBARZRMKI-UHFFFAOYSA-N 2 1 231.343 1.862 20 0 BDADMP C[NH+](C)Cc1ccnc(C2=CCC[N@@H+](C)C2)c1 ZINC001241568719 982817131 /nfs/dbraw/zinc/81/71/31/982817131.db2.gz WNKRDTAFAFWLNS-UHFFFAOYSA-N 2 1 231.343 1.862 20 0 BDADMP C[N@H+]1CCC=C(c2ccnc(C[NH3+])c2)C1 ZINC001241570381 982819743 /nfs/dbraw/zinc/81/97/43/982819743.db2.gz HBIXWIDIFMXNJW-UHFFFAOYSA-N 2 1 203.289 1.259 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2N)C1 ZINC001205851840 982836995 /nfs/dbraw/zinc/83/69/95/982836995.db2.gz CIWACMISQGMUNP-WCQYABFASA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2N)C1 ZINC001205851840 982836996 /nfs/dbraw/zinc/83/69/96/982836996.db2.gz CIWACMISQGMUNP-WCQYABFASA-N 2 1 233.359 1.828 20 0 BDADMP Cc1cc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC001353635009 982942060 /nfs/dbraw/zinc/94/20/60/982942060.db2.gz FKKYDUHSAVPGLC-LBPRGKRZSA-N 2 1 247.342 1.401 20 0 BDADMP Cc1cc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc(C)[nH+]1 ZINC001353635009 982942068 /nfs/dbraw/zinc/94/20/68/982942068.db2.gz FKKYDUHSAVPGLC-LBPRGKRZSA-N 2 1 247.342 1.401 20 0 BDADMP CCC[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001201646019 983397278 /nfs/dbraw/zinc/39/72/78/983397278.db2.gz OBBOUWBXNZFABB-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001201646019 983397287 /nfs/dbraw/zinc/39/72/87/983397287.db2.gz OBBOUWBXNZFABB-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP FC(F)(F)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001202353097 983638539 /nfs/dbraw/zinc/63/85/39/983638539.db2.gz ZXAKMKMCCLALQI-UHFFFAOYSA-N 2 1 233.237 1.694 20 0 BDADMP FC(F)(F)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001202353097 983638543 /nfs/dbraw/zinc/63/85/43/983638543.db2.gz ZXAKMKMCCLALQI-UHFFFAOYSA-N 2 1 233.237 1.694 20 0 BDADMP c1cn2c(n1)CC[N@@H+](CC1CCOCC1)CC2 ZINC001202596905 984119934 /nfs/dbraw/zinc/11/99/34/984119934.db2.gz MCIZEZPULBZFHD-UHFFFAOYSA-N 2 1 235.331 1.168 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](CC1CCOCC1)CC2 ZINC001202596905 984119938 /nfs/dbraw/zinc/11/99/38/984119938.db2.gz MCIZEZPULBZFHD-UHFFFAOYSA-N 2 1 235.331 1.168 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](CC1CCOCC1)CC2 ZINC001202596905 984119946 /nfs/dbraw/zinc/11/99/46/984119946.db2.gz MCIZEZPULBZFHD-UHFFFAOYSA-N 2 1 235.331 1.168 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202609872 984126448 /nfs/dbraw/zinc/12/64/48/984126448.db2.gz SFHZCDSOLZKASL-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](Cc1ccsc1)[N@@H+](C)C[C@H](O)CC[NH3+] ZINC001576064992 984141449 /nfs/dbraw/zinc/14/14/49/984141449.db2.gz ABIWLTZTADTGCW-ZYHUDNBSSA-N 2 1 242.388 1.321 20 0 BDADMP CCC(CC)C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001577069760 984187316 /nfs/dbraw/zinc/18/73/16/984187316.db2.gz SREKEIFXLBFVGI-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCC[C@H]1C[NH3+] ZINC001205984473 984217621 /nfs/dbraw/zinc/21/76/21/984217621.db2.gz SCSOIVVQJCEMIH-RDBSUJKOSA-N 2 1 238.375 1.986 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001578638955 984222528 /nfs/dbraw/zinc/22/25/28/984222528.db2.gz ZXSGTFWHINOZSH-YFKTTZPYSA-N 2 1 224.348 1.142 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cnc1F ZINC001579601649 984293065 /nfs/dbraw/zinc/29/30/65/984293065.db2.gz YLZBPNLKXAZKTA-NEPJUHHUSA-N 2 1 249.333 1.889 20 0 BDADMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2O)c1C ZINC001579760109 984304756 /nfs/dbraw/zinc/30/47/56/984304756.db2.gz AALNJWCBQGMCRJ-KBPBESRZSA-N 2 1 234.343 1.116 20 0 BDADMP CC[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001275086158 984478796 /nfs/dbraw/zinc/47/87/96/984478796.db2.gz FQVXPHWSEGBYPA-UONOGXRCSA-N 2 1 239.407 1.593 20 0 BDADMP CCC[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001275108459 984492312 /nfs/dbraw/zinc/49/23/12/984492312.db2.gz QDHCGJTVQFNPLC-KBPBESRZSA-N 2 1 248.374 1.442 20 0 BDADMP CC[N@H+](Cc1cn(C)nc1C)C1CC[NH2+]CC1 ZINC001577743163 984691888 /nfs/dbraw/zinc/69/18/88/984691888.db2.gz PLBMVKYXSFPEOC-UHFFFAOYSA-N 2 1 236.363 1.302 20 0 BDADMP CC[N@@H+](Cc1cn(C)nc1C)C1CC[NH2+]CC1 ZINC001577743163 984691907 /nfs/dbraw/zinc/69/19/07/984691907.db2.gz PLBMVKYXSFPEOC-UHFFFAOYSA-N 2 1 236.363 1.302 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1C ZINC001276068566 984809664 /nfs/dbraw/zinc/80/96/64/984809664.db2.gz YQGKYWOCNXWUBZ-YHWZYXNKSA-N 2 1 234.347 1.433 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1C ZINC001276068566 984809668 /nfs/dbraw/zinc/80/96/68/984809668.db2.gz YQGKYWOCNXWUBZ-YHWZYXNKSA-N 2 1 234.347 1.433 20 0 BDADMP CCO[C@@H](C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC001578076003 984843521 /nfs/dbraw/zinc/84/35/21/984843521.db2.gz YBZBMLILEFLMFE-RDBSUJKOSA-N 2 1 238.375 1.343 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001578161713 984864002 /nfs/dbraw/zinc/86/40/02/984864002.db2.gz XEUMBEBRBXGJAE-KKOKHZNYSA-N 2 1 212.337 1.142 20 0 BDADMP CCc1ccc(C[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001578260026 984909229 /nfs/dbraw/zinc/90/92/29/984909229.db2.gz YHIDESNYONVWMP-CQSZACIVSA-N 2 1 234.343 1.063 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCCC1 ZINC001257342863 984914694 /nfs/dbraw/zinc/91/46/94/984914694.db2.gz QAXNXBJLJBSGMS-NSHDSACASA-N 2 1 228.336 1.189 20 0 BDADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001578298856 984960556 /nfs/dbraw/zinc/96/05/56/984960556.db2.gz GNNMJQFYDCYCCB-AOOOYVTPSA-N 2 1 236.363 1.124 20 0 BDADMP CCn1ccc(C[NH+]2CCC(C[NH2+]C)CC2)n1 ZINC001578353734 984989085 /nfs/dbraw/zinc/98/90/85/984989085.db2.gz RAOWSJNSGQDTFC-UHFFFAOYSA-N 2 1 236.363 1.334 20 0 BDADMP C[N@@H+](C[C@H](O)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000685985629 985029369 /nfs/dbraw/zinc/02/93/69/985029369.db2.gz WRGWHNMSGLRMIH-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@H](O)C1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000685985629 985029385 /nfs/dbraw/zinc/02/93/85/985029385.db2.gz WRGWHNMSGLRMIH-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@H](O)C1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000685985629 985029400 /nfs/dbraw/zinc/02/94/00/985029400.db2.gz WRGWHNMSGLRMIH-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450339 985081552 /nfs/dbraw/zinc/08/15/52/985081552.db2.gz LMLCZYRUEMEPFK-DUMGWNBUSA-N 2 1 206.333 1.182 20 0 BDADMP C[N@@H+](C[C@H]1C[C@]12CCOC2)CC1CC[NH2+]CC1 ZINC001578458721 985092047 /nfs/dbraw/zinc/09/20/47/985092047.db2.gz URWGOWBPRUOCCH-KGLIPLIRSA-N 2 1 238.375 1.344 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@]12CCOC2)CC1CC[NH2+]CC1 ZINC001578458720 985094398 /nfs/dbraw/zinc/09/43/98/985094398.db2.gz URWGOWBPRUOCCH-KBPBESRZSA-N 2 1 238.375 1.344 20 0 BDADMP C[N@H+](CC[C@H](O)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578478743 985110656 /nfs/dbraw/zinc/11/06/56/985110656.db2.gz QTQGFNHXQVFVAS-LJISPDSOSA-N 2 1 246.354 1.260 20 0 BDADMP C[N@@H+](CC[C@H](O)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578478743 985110667 /nfs/dbraw/zinc/11/06/67/985110667.db2.gz QTQGFNHXQVFVAS-LJISPDSOSA-N 2 1 246.354 1.260 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)[C@@H]2C1 ZINC001578521172 985143691 /nfs/dbraw/zinc/14/36/91/985143691.db2.gz MJGAKUBNPWHAFI-QNSTZXKLSA-N 3 1 237.391 1.186 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3CCC[C@H]([NH3+])C3)[C@@H]2C1 ZINC001578521172 985143700 /nfs/dbraw/zinc/14/37/00/985143700.db2.gz MJGAKUBNPWHAFI-QNSTZXKLSA-N 2 1 237.391 1.186 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3CCC[C@H]([NH3+])C3)[C@@H]2C1 ZINC001578521172 985143713 /nfs/dbraw/zinc/14/37/13/985143713.db2.gz MJGAKUBNPWHAFI-QNSTZXKLSA-N 2 1 237.391 1.186 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC1(C)C ZINC001578525145 985149030 /nfs/dbraw/zinc/14/90/30/985149030.db2.gz SBORPVFJLRABSD-JHJVBQTASA-N 2 1 239.407 1.719 20 0 BDADMP C[N@H+]1CCC[C@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC001578528488 985151390 /nfs/dbraw/zinc/15/13/90/985151390.db2.gz IBFZXSBRAMSIMY-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP CN1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC001578529581 985156702 /nfs/dbraw/zinc/15/67/02/985156702.db2.gz ZKJMBMNTXZKYIG-QWHCGFSZSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC001578620878 985231818 /nfs/dbraw/zinc/23/18/18/985231818.db2.gz ASSZGRZJPJUHAG-CFVMTHIKSA-N 2 1 248.370 1.650 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC001578620878 985231837 /nfs/dbraw/zinc/23/18/37/985231837.db2.gz ASSZGRZJPJUHAG-CFVMTHIKSA-N 2 1 248.370 1.650 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC001578637749 985246148 /nfs/dbraw/zinc/24/61/48/985246148.db2.gz CWUXHQKHNFZWLK-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC001578653700 985273326 /nfs/dbraw/zinc/27/33/26/985273326.db2.gz CFNSYNXCCFWOMY-VHDGCEQUSA-N 2 1 248.370 1.650 20 0 BDADMP CO[C@H]1CC[C@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000687255866 985282056 /nfs/dbraw/zinc/28/20/56/985282056.db2.gz UEWPGYTXVMDBIE-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CNc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001578763091 985326855 /nfs/dbraw/zinc/32/68/55/985326855.db2.gz AZPWGXLLEUZAGB-LBPRGKRZSA-N 2 1 233.359 1.899 20 0 BDADMP COC(=O)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C(C)(C)C ZINC001578800829 985368900 /nfs/dbraw/zinc/36/89/00/985368900.db2.gz DDWUYYSVSJBDRC-MNOVXSKESA-N 2 1 242.363 1.306 20 0 BDADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC001578798721 985371209 /nfs/dbraw/zinc/37/12/09/985371209.db2.gz ZDUZZRCRRZSYRT-VHSXEESVSA-N 2 1 230.352 1.291 20 0 BDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])[C@H]1C ZINC001578803133 985375401 /nfs/dbraw/zinc/37/54/01/985375401.db2.gz INZNUUKBPHEAQY-DCAQKATOSA-N 2 1 242.363 1.291 20 0 BDADMP COC(=O)CC[N@@H+](CC(C)C)CC1(C[NH3+])CC1 ZINC001578805249 985376755 /nfs/dbraw/zinc/37/67/55/985376755.db2.gz SSHVPNHUJQICFN-UHFFFAOYSA-N 2 1 242.363 1.246 20 0 BDADMP COC(=O)C[NH+]1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001578812388 985385322 /nfs/dbraw/zinc/38/53/22/985385322.db2.gz SNKMMUWIKSLKDL-LLVKDONJSA-N 2 1 240.347 1.000 20 0 BDADMP COC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578847104 985428461 /nfs/dbraw/zinc/42/84/61/985428461.db2.gz LZFXCRHWDOYZDN-QJPTWQEYSA-N 2 1 240.347 1.141 20 0 BDADMP CO[C@@](C)(CO)C[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001578896294 985472694 /nfs/dbraw/zinc/47/26/94/985472694.db2.gz LLFYNPJJYMLLCF-DGCLKSJQSA-N 2 1 246.395 1.127 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578899941 985474280 /nfs/dbraw/zinc/47/42/80/985474280.db2.gz AETQOWHRKZKYDW-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@@H](C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC001578901955 985488289 /nfs/dbraw/zinc/48/82/89/985488289.db2.gz WYOPFUMGJSZULZ-RFQIPJPRSA-N 2 1 238.375 1.341 20 0 BDADMP COC1(C[C@H](C)[NH2+]C(C)(C)C[NH3+])CCC1 ZINC001578927080 985524268 /nfs/dbraw/zinc/52/42/68/985524268.db2.gz SALBRYSQOLBBOR-JTQLQIEISA-N 2 1 214.353 1.661 20 0 BDADMP COC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCC1 ZINC001578931001 985536927 /nfs/dbraw/zinc/53/69/27/985536927.db2.gz YJHDAOAIROVRMS-OUAUKWLOSA-N 2 1 210.321 1.038 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578937468 985543343 /nfs/dbraw/zinc/54/33/43/985543343.db2.gz JXISMOGLYNRYKA-QCNOEVLYSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578938634 985550986 /nfs/dbraw/zinc/55/09/86/985550986.db2.gz UCEVGOPEUOTFJA-VOAKCMCISA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578938635 985553782 /nfs/dbraw/zinc/55/37/82/985553782.db2.gz UCEVGOPEUOTFJA-XQHKEYJVSA-N 2 1 224.348 1.095 20 0 BDADMP COCC[C@H]([NH3+])C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001579000030 985643167 /nfs/dbraw/zinc/64/31/67/985643167.db2.gz NCZCENCHHOATNN-ZFWWWQNUSA-N 2 1 248.370 1.970 20 0 BDADMP COCC[C@H]([NH3+])C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001579000030 985643181 /nfs/dbraw/zinc/64/31/81/985643181.db2.gz NCZCENCHHOATNN-ZFWWWQNUSA-N 2 1 248.370 1.970 20 0 BDADMP c1cc(N2CC[NH2+]CC2)cc(C2=C[NH2+]CCC2)n1 ZINC001243950538 985650272 /nfs/dbraw/zinc/65/02/72/985650272.db2.gz YMYGVQANLOHODX-UHFFFAOYSA-N 2 1 244.342 1.216 20 0 BDADMP COc1cc(C)c(C[NH2+]CC2C[NH2+]C2)c(C)n1 ZINC001579145133 985813320 /nfs/dbraw/zinc/81/33/20/985813320.db2.gz VMTPNOXOCJWWQD-UHFFFAOYSA-N 2 1 235.331 1.016 20 0 BDADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)c(C)c1 ZINC001579216171 985820596 /nfs/dbraw/zinc/82/05/96/985820596.db2.gz FRGVKSXEQVRROY-CQSZACIVSA-N 2 1 234.343 1.831 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC001579213115 985822096 /nfs/dbraw/zinc/82/20/96/985822096.db2.gz CYBSAVIYIYYHQF-NXEZZACHSA-N 2 1 224.304 1.315 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC001579213115 985822099 /nfs/dbraw/zinc/82/20/99/985822099.db2.gz CYBSAVIYIYYHQF-NXEZZACHSA-N 2 1 224.304 1.315 20 0 BDADMP COc1ccc(F)cc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001579224069 985823473 /nfs/dbraw/zinc/82/34/73/985823473.db2.gz XHBQZGYBTFNWFC-PHIMTYICSA-N 2 1 224.279 1.414 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001258355903 985837207 /nfs/dbraw/zinc/83/72/07/985837207.db2.gz LRXDFKYNJPPJNG-RYUDHWBXSA-N 2 1 242.363 1.402 20 0 BDADMP COc1cncc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001579322018 985843387 /nfs/dbraw/zinc/84/33/87/985843387.db2.gz LDUWBVHMMJMRHU-OLZOCXBDSA-N 2 1 247.342 1.132 20 0 BDADMP COc1cncc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001579322018 985843391 /nfs/dbraw/zinc/84/33/91/985843391.db2.gz LDUWBVHMMJMRHU-OLZOCXBDSA-N 2 1 247.342 1.132 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC001579467578 985944210 /nfs/dbraw/zinc/94/42/10/985944210.db2.gz PXXCPACCLROKKV-MDVIFZSFSA-N 2 1 204.264 1.228 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001579454730 985950990 /nfs/dbraw/zinc/95/09/90/985950990.db2.gz YNIHFIVCFKDTDJ-YIYPIFLZSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CC[C@@H]1CCCO1)C2 ZINC001579473821 985981689 /nfs/dbraw/zinc/98/16/89/985981689.db2.gz ONVNHZIVFDLGBX-AGIUHOORSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC001579476831 985992214 /nfs/dbraw/zinc/99/22/14/985992214.db2.gz IVUGQOMSDVSMCM-VWYCJHECSA-N 2 1 228.380 1.905 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001579495748 986025166 /nfs/dbraw/zinc/02/51/66/986025166.db2.gz FRNJZISHCCQITC-YNEHKIRRSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@]12C[N@@H+](C[C@H](O)CC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001579509702 986060039 /nfs/dbraw/zinc/06/00/39/986060039.db2.gz DCGRTUURCSMQRL-MQLXINIDSA-N 2 1 238.375 1.064 20 0 BDADMP C[Si](C)(C)C[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001579509799 986063600 /nfs/dbraw/zinc/06/36/00/986063600.db2.gz IHGRCTDJQLKAMU-UHFFFAOYSA-N 2 1 212.413 1.820 20 0 BDADMP C[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001461798297 986155945 /nfs/dbraw/zinc/15/59/45/986155945.db2.gz XASUOSBZGPVXPJ-RYUDHWBXSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1nnc([C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)o1 ZINC001579897547 986318377 /nfs/dbraw/zinc/31/83/77/986318377.db2.gz UFQJOKAWMKIYRZ-SECBINFHSA-N 2 1 238.335 1.370 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001462316962 986352144 /nfs/dbraw/zinc/35/21/44/986352144.db2.gz JFYBZXSQFQHTEL-NDBYEHHHSA-N 2 1 226.364 1.340 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001462316962 986352149 /nfs/dbraw/zinc/35/21/49/986352149.db2.gz JFYBZXSQFQHTEL-NDBYEHHHSA-N 2 1 226.364 1.340 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC001579970177 986372403 /nfs/dbraw/zinc/37/24/03/986372403.db2.gz QVTRGHHVESFCFT-MBNYWOFBSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1ccc(C[NH2+]Cc2ccccc2C[NH3+])n1 ZINC001579972291 986374547 /nfs/dbraw/zinc/37/45/47/986374547.db2.gz AONVCRCUFANIFY-UHFFFAOYSA-N 2 1 230.315 1.169 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C(C)C)C[C@@H]2C1 ZINC001253767350 986391845 /nfs/dbraw/zinc/39/18/45/986391845.db2.gz KXIQMXYRQWLTPV-MJBXVCDLSA-N 2 1 240.391 1.277 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C(C)C)C[C@@H]2C1 ZINC001253767350 986391851 /nfs/dbraw/zinc/39/18/51/986391851.db2.gz KXIQMXYRQWLTPV-MJBXVCDLSA-N 2 1 240.391 1.277 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C(C)C)C[C@@H]2C1 ZINC001253767350 986391859 /nfs/dbraw/zinc/39/18/59/986391859.db2.gz KXIQMXYRQWLTPV-MJBXVCDLSA-N 2 1 240.391 1.277 20 0 BDADMP FC1(F)[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC001580023739 986418673 /nfs/dbraw/zinc/41/86/73/986418673.db2.gz DDFDMNBBQKYTOK-BBBLOLIVSA-N 2 1 216.275 1.183 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001262570186 986571613 /nfs/dbraw/zinc/57/16/13/986571613.db2.gz PMJFKNBAHYMOIJ-SGMGOOAPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C[C@H]1O ZINC001254517061 986651927 /nfs/dbraw/zinc/65/19/27/986651927.db2.gz RTDCHAXKPOOWOS-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@H]1O ZINC001254517061 986651949 /nfs/dbraw/zinc/65/19/49/986651949.db2.gz RTDCHAXKPOOWOS-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@H]1O ZINC001254517061 986651961 /nfs/dbraw/zinc/65/19/61/986651961.db2.gz RTDCHAXKPOOWOS-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC1(O)CCCCCC1)C1CC1 ZINC001580229852 986678686 /nfs/dbraw/zinc/67/86/86/986678686.db2.gz UMSQSOQTXLRAHO-GFCCVEGCSA-N 2 1 226.364 1.399 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC1(O)CCCCCC1)C1CC1 ZINC001580229853 986680600 /nfs/dbraw/zinc/68/06/00/986680600.db2.gz UMSQSOQTXLRAHO-LBPRGKRZSA-N 2 1 226.364 1.399 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC1=CCCC1 ZINC001580253036 986703738 /nfs/dbraw/zinc/70/37/38/986703738.db2.gz GCPOKINQCHOFLV-CHWSQXEVSA-N 2 1 206.333 1.910 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC1=CCCC1 ZINC001580253036 986703751 /nfs/dbraw/zinc/70/37/51/986703751.db2.gz GCPOKINQCHOFLV-CHWSQXEVSA-N 2 1 206.333 1.910 20 0 BDADMP [NH3+]CC12CCC(CC1)[N@H+]2CC1CCC(O)CC1 ZINC001580248188 986704168 /nfs/dbraw/zinc/70/41/68/986704168.db2.gz QBALGOIDETZXCZ-UHFFFAOYSA-N 2 1 238.375 1.493 20 0 BDADMP [NH3+]CC12CCC(CC1)[N@H+]2C[C@@H]1C[C@]12CCOC2 ZINC001580248096 986704339 /nfs/dbraw/zinc/70/43/39/986704339.db2.gz GVHMHSFQKNJTRA-AHPWVWPOSA-N 2 1 236.359 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCCC[C@@H]1O ZINC001580254736 986709836 /nfs/dbraw/zinc/70/98/36/986709836.db2.gz ZMTZYFJEMAUMIZ-YIYPIFLZSA-N 2 1 238.375 1.351 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCCC[C@@H]1O ZINC001580254736 986709847 /nfs/dbraw/zinc/70/98/47/986709847.db2.gz ZMTZYFJEMAUMIZ-YIYPIFLZSA-N 2 1 238.375 1.351 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC000384055688 986841234 /nfs/dbraw/zinc/84/12/34/986841234.db2.gz XIQQOIPWLIEJEG-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC001580431607 986849573 /nfs/dbraw/zinc/84/95/73/986849573.db2.gz OOOSAMLJQAJHFN-UMSPYCQHSA-N 2 1 217.316 1.150 20 0 BDADMP CCCC[C@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001255313914 986906389 /nfs/dbraw/zinc/90/63/89/986906389.db2.gz SAYKAVZDBTXMBE-NWDGAFQWSA-N 2 1 244.379 1.825 20 0 BDADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2[C@H]1CCC[NH+](C)C1 ZINC001255490817 986991075 /nfs/dbraw/zinc/99/10/75/986991075.db2.gz YIGHTGYVKSIBKE-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@H]1CCC[N@H+](C)C1 ZINC001255490817 986991084 /nfs/dbraw/zinc/99/10/84/986991084.db2.gz YIGHTGYVKSIBKE-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@H]1CCC[N@@H+](C)C1 ZINC001255490817 986991097 /nfs/dbraw/zinc/99/10/97/986991097.db2.gz YIGHTGYVKSIBKE-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC(C)[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662754 987048054 /nfs/dbraw/zinc/04/80/54/987048054.db2.gz SOSOXBWQRFRLGA-WTUNAVPPSA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662754 987048067 /nfs/dbraw/zinc/04/80/67/987048067.db2.gz SOSOXBWQRFRLGA-WTUNAVPPSA-N 2 1 240.391 1.608 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)o1 ZINC000689717541 987097137 /nfs/dbraw/zinc/09/71/37/987097137.db2.gz QWQONFHERGPJED-RCZQDCHWSA-N 2 1 246.354 1.717 20 0 BDADMP CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001245987867 987269762 /nfs/dbraw/zinc/26/97/62/987269762.db2.gz CRNFKFYBOMTYSO-WDEREUQCSA-N 2 1 214.353 1.125 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022030 987311265 /nfs/dbraw/zinc/31/12/65/987311265.db2.gz PCKVBWHPJGMMAP-CHWSQXEVSA-N 2 1 246.370 1.690 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246025899 987323477 /nfs/dbraw/zinc/32/34/77/987323477.db2.gz ZVYORYVLUQYZCG-OLZOCXBDSA-N 2 1 228.380 1.741 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246027706 987324436 /nfs/dbraw/zinc/32/44/36/987324436.db2.gz YGXAODZFSLFGDB-OLZOCXBDSA-N 2 1 226.364 1.221 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246045892 987339734 /nfs/dbraw/zinc/33/97/34/987339734.db2.gz LNULWJKFQLYCLQ-FRRDWIJNSA-N 2 1 226.364 1.351 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246045892 987339738 /nfs/dbraw/zinc/33/97/38/987339738.db2.gz LNULWJKFQLYCLQ-FRRDWIJNSA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697052757 987346046 /nfs/dbraw/zinc/34/60/46/987346046.db2.gz QKLAJFSSKXNBER-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697052757 987346055 /nfs/dbraw/zinc/34/60/55/987346055.db2.gz QKLAJFSSKXNBER-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CCCC[C@H](O)C[N@H+](C)C[C@@H]([NH3+])CC ZINC001246065236 987352233 /nfs/dbraw/zinc/35/22/33/987352233.db2.gz IDZCKZNJIWIPCB-QWRGUYRKSA-N 2 1 202.342 1.207 20 0 BDADMP CCCC[C@H](O)C[N@@H+](C)C[C@@H]([NH3+])CC ZINC001246065236 987352239 /nfs/dbraw/zinc/35/22/39/987352239.db2.gz IDZCKZNJIWIPCB-QWRGUYRKSA-N 2 1 202.342 1.207 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@H]1CCCC[NH2+]C1 ZINC000697088519 987351882 /nfs/dbraw/zinc/35/18/82/987351882.db2.gz USMWLUNYJPKJLX-AWEZNQCLSA-N 2 1 242.407 1.981 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCC1([NH3+])CCCC1)C2 ZINC001246077391 987366569 /nfs/dbraw/zinc/36/65/69/987366569.db2.gz WATUDMBEZONBSN-XYYAHUGASA-N 2 1 237.391 1.473 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078239 987369364 /nfs/dbraw/zinc/36/93/64/987369364.db2.gz CGIOQMFFUQHDCM-DCAQKATOSA-N 2 1 228.336 1.058 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000699640817 987377746 /nfs/dbraw/zinc/37/77/46/987377746.db2.gz SCBSENOHXUMUPP-QWHCGFSZSA-N 2 1 237.347 1.739 20 0 BDADMP C1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CS1 ZINC001246089497 987393917 /nfs/dbraw/zinc/39/39/17/987393917.db2.gz FNADHJGNVBEBKE-NXEZZACHSA-N 2 1 200.351 1.224 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC001246089877 987394229 /nfs/dbraw/zinc/39/42/29/987394229.db2.gz HKENUXHCVJGIHN-GRYCIOLGSA-N 2 1 240.347 1.060 20 0 BDADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CO1 ZINC001246092043 987397607 /nfs/dbraw/zinc/39/76/07/987397607.db2.gz RTAGEONVPNBLBN-GHMZBOCLSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246091893 987398515 /nfs/dbraw/zinc/39/85/15/987398515.db2.gz HSURGKWRUQLCOY-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246096846 987407562 /nfs/dbraw/zinc/40/75/62/987407562.db2.gz NAYSBABUHDRKKL-VOAKCMCISA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108046 987437169 /nfs/dbraw/zinc/43/71/69/987437169.db2.gz BVLBOLLZIJCMSK-LSGALXMHSA-N 3 1 237.391 1.105 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC001246108858 987440608 /nfs/dbraw/zinc/44/06/08/987440608.db2.gz IRIRGFBVGAHBQE-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC001246108858 987440615 /nfs/dbraw/zinc/44/06/15/987440615.db2.gz IRIRGFBVGAHBQE-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCC[N@@H+](C)CC1 ZINC001246108504 987442255 /nfs/dbraw/zinc/44/22/55/987442255.db2.gz IIYZXXUWRZSSRD-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001246108504 987442267 /nfs/dbraw/zinc/44/22/67/987442267.db2.gz IIYZXXUWRZSSRD-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001246108504 987442272 /nfs/dbraw/zinc/44/22/72/987442272.db2.gz IIYZXXUWRZSSRD-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246109920 987443398 /nfs/dbraw/zinc/44/33/98/987443398.db2.gz LDXPCXBBXPGRGY-WHOHXGKFSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC001246111409 987445954 /nfs/dbraw/zinc/44/59/54/987445954.db2.gz OAWZHWAXKCYILH-AAVRWANBSA-N 3 1 239.407 1.495 20 0 BDADMP COC(=O)C1(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCC1 ZINC001246184318 987560356 /nfs/dbraw/zinc/56/03/56/987560356.db2.gz ZSHXCACAZKXEIU-QWRGUYRKSA-N 2 1 240.347 1.060 20 0 BDADMP C([NH2+][C@@H]1CCCCNC1)[C@H]1CC12CC[NH2+]CC2 ZINC001246185671 987560848 /nfs/dbraw/zinc/56/08/48/987560848.db2.gz VHWWHQJLTNJYIE-CHWSQXEVSA-N 2 1 237.391 1.108 20 0 BDADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246197741 987590221 /nfs/dbraw/zinc/59/02/21/987590221.db2.gz LMCZQUXWPJNGEN-NEPJUHHUSA-N 3 1 225.380 1.106 20 0 BDADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246207107 987603573 /nfs/dbraw/zinc/60/35/73/987603573.db2.gz UTNQZVSFIOQHJU-UTUOFQBUSA-N 3 1 225.380 1.377 20 0 BDADMP CCCC[C@H](CO)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246211234 987607154 /nfs/dbraw/zinc/60/71/54/987607154.db2.gz QAGUEZHKAMRVIC-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](O)CC2)C[NH2+]1 ZINC001246230635 987628303 /nfs/dbraw/zinc/62/83/03/987628303.db2.gz NXDZCYAVUYTQQW-FIQHERPVSA-N 2 1 212.337 1.020 20 0 BDADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)nc1 ZINC001246231961 987628573 /nfs/dbraw/zinc/62/85/73/987628573.db2.gz VSDUYJBULPFCHP-LLVKDONJSA-N 2 1 219.332 1.793 20 0 BDADMP C[C@H]1CC[C@H]([N@H+](C)C2CCC([NH3+])CC2)CN1 ZINC001246231819 987630188 /nfs/dbraw/zinc/63/01/88/987630188.db2.gz HJZCSSDMJKUFFH-WTIISPKJSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CN1 ZINC001246231819 987630190 /nfs/dbraw/zinc/63/01/90/987630190.db2.gz HJZCSSDMJKUFFH-WTIISPKJSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246241964 987645647 /nfs/dbraw/zinc/64/56/47/987645647.db2.gz DHRPWRDOVPYMNW-CRWXNKLISA-N 3 1 239.407 1.637 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2cccs2)CC[NH2+]1 ZINC001246257752 987656183 /nfs/dbraw/zinc/65/61/83/987656183.db2.gz IUEQTFQAMHOSAA-GMTAPVOTSA-N 2 1 240.372 1.512 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)C[NH2+]1 ZINC001246266736 987661728 /nfs/dbraw/zinc/66/17/28/987661728.db2.gz PJWSIFFHILJWJY-FPMFFAJLSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[Si](C)(C)C)C[NH2+]1 ZINC001246270941 987667519 /nfs/dbraw/zinc/66/75/19/987667519.db2.gz XBLMFHQQIBAREY-NXEZZACHSA-N 2 1 200.402 1.594 20 0 BDADMP CCCNCC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246269830 987667568 /nfs/dbraw/zinc/66/75/68/987667568.db2.gz LLJFTNVBBTWYOM-ZIAGYGMSSA-N 2 1 239.407 1.498 20 0 BDADMP OC[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001246276239 987668593 /nfs/dbraw/zinc/66/85/93/987668593.db2.gz BNNPNVPNQJILFU-CABCVRRESA-N 2 1 248.370 1.179 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246274645 987669505 /nfs/dbraw/zinc/66/95/05/987669505.db2.gz YUMVPKSWZIBOFI-CHWSQXEVSA-N 3 1 225.380 1.108 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCCC3)[C@H]2C1 ZINC001474301167 987682175 /nfs/dbraw/zinc/68/21/75/987682175.db2.gz GKZRGZZBTOPVPV-DRZSPHRISA-N 2 1 208.349 1.859 20 0 BDADMP CCCC1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246297218 987690020 /nfs/dbraw/zinc/69/00/20/987690020.db2.gz FBNLBQAYXNAPJS-GNRIBBGQSA-N 2 1 240.391 1.515 20 0 BDADMP CCCCC(CCCC)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246296729 987691192 /nfs/dbraw/zinc/69/11/92/987691192.db2.gz CIUBBYBDXDQFOV-OCCSQVGLSA-N 2 1 242.407 1.905 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246299889 987694735 /nfs/dbraw/zinc/69/47/35/987694735.db2.gz NYUMIRFWWJJTCF-XDQVBPFNSA-N 2 1 242.407 1.617 20 0 BDADMP CC[C@@H]1CC([NH2+]CC[C@@H](C)[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246306655 987705305 /nfs/dbraw/zinc/70/53/05/987705305.db2.gz RHFBROUPAIWLTA-IJLUTSLNSA-N 3 1 227.396 1.623 20 0 BDADMP CC[C@H](N)C[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246310952 987711081 /nfs/dbraw/zinc/71/10/81/987711081.db2.gz AWHUNVMVHMBYFU-RWMBFGLXSA-N 2 1 225.380 1.236 20 0 BDADMP CC[C@@H]([NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246310973 987711217 /nfs/dbraw/zinc/71/12/17/987711217.db2.gz BJDBRTZAECGEGB-FVCCEPFGSA-N 2 1 225.380 1.329 20 0 BDADMP CC[C@H](N)C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246314020 987717181 /nfs/dbraw/zinc/71/71/81/987717181.db2.gz MWFXSGNMWXCFED-HSBZDZAISA-N 2 1 239.407 1.626 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246328774 987735860 /nfs/dbraw/zinc/73/58/60/987735860.db2.gz SGZUTAOYKUWEDD-WUHRBBMRSA-N 3 1 227.396 1.480 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)CC[NH2+]1 ZINC001246346199 987756289 /nfs/dbraw/zinc/75/62/89/987756289.db2.gz ILBLFLDPTMFMFZ-ONGXEEELSA-N 2 1 223.295 1.451 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)CC[NH2+]1 ZINC001246346190 987757123 /nfs/dbraw/zinc/75/71/23/987757123.db2.gz ILBLFLDPTMFMFZ-GXSJLCMTSA-N 2 1 223.295 1.451 20 0 BDADMP COc1cccc(C[C@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC001246351234 987760731 /nfs/dbraw/zinc/76/07/31/987760731.db2.gz SNVDXPNFGCHHNR-GXTWGEPZSA-N 2 1 248.370 1.968 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246351234 987760735 /nfs/dbraw/zinc/76/07/35/987760735.db2.gz SNVDXPNFGCHHNR-GXTWGEPZSA-N 2 1 248.370 1.968 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246360697 987766770 /nfs/dbraw/zinc/76/67/70/987766770.db2.gz IBIQNHJPSCHCFG-AVGNSLFASA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246358871 987766960 /nfs/dbraw/zinc/76/69/60/987766960.db2.gz QQRZALPDNJQKPC-QWHCGFSZSA-N 2 1 228.380 1.779 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001246361340 987767194 /nfs/dbraw/zinc/76/71/94/987767194.db2.gz LCBTZPWVMIDGOH-STQMWFEESA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246362150 987767385 /nfs/dbraw/zinc/76/73/85/987767385.db2.gz NLZFYKMUXHLQQK-IHRRRGAJSA-N 2 1 239.407 1.447 20 0 BDADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC001246359894 987768425 /nfs/dbraw/zinc/76/84/25/987768425.db2.gz DKIDIXBXQUBQEV-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246362496 987768975 /nfs/dbraw/zinc/76/89/75/987768975.db2.gz MAGFWZFOVLYNBU-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246365192 987771288 /nfs/dbraw/zinc/77/12/88/987771288.db2.gz DKMGUXNYRYURIF-AVGNSLFASA-N 3 1 225.380 1.201 20 0 BDADMP c1ccc2c(c1)CC(C[NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246369898 987772374 /nfs/dbraw/zinc/77/23/74/987772374.db2.gz DJBXMQZCZNTZGG-HNNXBMFYSA-N 2 1 230.355 1.743 20 0 BDADMP CCC1(C[NH2+][C@@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246421827 987796555 /nfs/dbraw/zinc/79/65/55/987796555.db2.gz IRHHVNUXSIGLPS-CYBMUJFWSA-N 2 1 239.407 1.498 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCCNC2)C1 ZINC001246450424 987808535 /nfs/dbraw/zinc/80/85/35/987808535.db2.gz QWDRIOMWAWBWCP-HZSPNIEDSA-N 2 1 239.407 1.483 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246454957 987810131 /nfs/dbraw/zinc/81/01/31/987810131.db2.gz VJUBEEPRYXWMCT-ZDUSSCGKSA-N 3 1 245.411 1.108 20 0 BDADMP C[C@H]1CC[C@H](NCCc2cccc(N)c2)C[NH2+]1 ZINC001246463548 987822424 /nfs/dbraw/zinc/82/24/24/987822424.db2.gz FPEATHSUFPGFPN-FZMZJTMJSA-N 2 1 233.359 1.541 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2cccc(N)c2)C[NH2+]1 ZINC001246463548 987822428 /nfs/dbraw/zinc/82/24/28/987822428.db2.gz FPEATHSUFPGFPN-FZMZJTMJSA-N 2 1 233.359 1.541 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488889 987844981 /nfs/dbraw/zinc/84/49/81/987844981.db2.gz MIRYBOYSZDBIOC-NWDGAFQWSA-N 2 1 213.369 1.106 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246501709 987855829 /nfs/dbraw/zinc/85/58/29/987855829.db2.gz CCYAZBQQDHXSKY-WCQYABFASA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246513319 987861653 /nfs/dbraw/zinc/86/16/53/987861653.db2.gz COMUAJFBBCBSOJ-DDTOSNHZSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@]2(C)CCCOC2)C[NH2+]1 ZINC001246514052 987861948 /nfs/dbraw/zinc/86/19/48/987861948.db2.gz ZTPREVAEFLQEPT-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1CC[C@H](n2cc[nH+]c2CCC[NH3+])C[NH2+]1 ZINC001246523284 987871474 /nfs/dbraw/zinc/87/14/74/987871474.db2.gz GFKKUFRSVXWZGY-MNOVXSKESA-N 3 1 222.336 1.087 20 0 BDADMP C[C@H]1CC[C@H](n2cc[nH+]c2CCC[NH3+])C[NH2+]1 ZINC001246523285 987873243 /nfs/dbraw/zinc/87/32/43/987873243.db2.gz GFKKUFRSVXWZGY-QWRGUYRKSA-N 3 1 222.336 1.087 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246526124 987879115 /nfs/dbraw/zinc/87/91/15/987879115.db2.gz MEXMFPNYMREQLD-GRYCIOLGSA-N 2 1 240.347 1.012 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@](C)([NH3+])C1)C2 ZINC001246531409 987886762 /nfs/dbraw/zinc/88/67/62/987886762.db2.gz QSVNKGMKCFNPEU-DGAVXFQQSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@](C)([NH3+])C1)C2 ZINC001246531410 987887011 /nfs/dbraw/zinc/88/70/11/987887011.db2.gz QSVNKGMKCFNPEU-XJFOESAGSA-N 2 1 237.391 1.425 20 0 BDADMP CCC[N@@H+]([C@H](C)CC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532409 987889636 /nfs/dbraw/zinc/88/96/36/987889636.db2.gz ZTQREOMDHCNION-OLZOCXBDSA-N 2 1 239.407 1.591 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539952 987903812 /nfs/dbraw/zinc/90/38/12/987903812.db2.gz JBYGNDFUGJQPSW-STQMWFEESA-N 3 1 237.391 1.474 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539952 987903820 /nfs/dbraw/zinc/90/38/20/987903820.db2.gz JBYGNDFUGJQPSW-STQMWFEESA-N 3 1 237.391 1.474 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539946 987904953 /nfs/dbraw/zinc/90/49/53/987904953.db2.gz JBYGNDFUGJQPSW-OLZOCXBDSA-N 3 1 237.391 1.474 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539946 987904956 /nfs/dbraw/zinc/90/49/56/987904956.db2.gz JBYGNDFUGJQPSW-OLZOCXBDSA-N 3 1 237.391 1.474 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1C[NH3+] ZINC001246541017 987912732 /nfs/dbraw/zinc/91/27/32/987912732.db2.gz LKDDVCNUKTUBGH-FPYNETTCSA-N 2 1 222.376 1.948 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246542021 987914194 /nfs/dbraw/zinc/91/41/94/987914194.db2.gz IODLXQGXMOSBJU-WISYIIOYSA-N 2 1 240.347 1.140 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246542021 987914208 /nfs/dbraw/zinc/91/42/08/987914208.db2.gz IODLXQGXMOSBJU-WISYIIOYSA-N 2 1 240.347 1.140 20 0 BDADMP CCCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246544209 987918748 /nfs/dbraw/zinc/91/87/48/987918748.db2.gz PMPFLUVEYDFWBS-QWHCGFSZSA-N 2 1 228.380 1.741 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246547167 987925599 /nfs/dbraw/zinc/92/55/99/987925599.db2.gz BQGMDOVXGOWCOB-HZSPNIEDSA-N 2 1 240.391 1.741 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546837 987931961 /nfs/dbraw/zinc/93/19/61/987931961.db2.gz ATXGFRVJFFJRQU-KGLIPLIRSA-N 2 1 239.407 1.674 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546837 987931970 /nfs/dbraw/zinc/93/19/70/987931970.db2.gz ATXGFRVJFFJRQU-KGLIPLIRSA-N 3 1 239.407 1.674 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546837 987931976 /nfs/dbraw/zinc/93/19/76/987931976.db2.gz ATXGFRVJFFJRQU-KGLIPLIRSA-N 3 1 239.407 1.674 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546837 987931982 /nfs/dbraw/zinc/93/19/82/987931982.db2.gz ATXGFRVJFFJRQU-KGLIPLIRSA-N 3 1 239.407 1.674 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546837 987931991 /nfs/dbraw/zinc/93/19/91/987931991.db2.gz ATXGFRVJFFJRQU-KGLIPLIRSA-N 3 1 239.407 1.674 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547943 987934846 /nfs/dbraw/zinc/93/48/46/987934846.db2.gz DKHKXOGJPVOBOT-QNMSZWNNSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547943 987934854 /nfs/dbraw/zinc/93/48/54/987934854.db2.gz DKHKXOGJPVOBOT-QNMSZWNNSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246551031 987945856 /nfs/dbraw/zinc/94/58/56/987945856.db2.gz JYDQTPGYGOOANH-QWHCGFSZSA-N 3 1 225.380 1.332 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246551031 987945871 /nfs/dbraw/zinc/94/58/71/987945871.db2.gz JYDQTPGYGOOANH-QWHCGFSZSA-N 3 1 225.380 1.332 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246550922 987948004 /nfs/dbraw/zinc/94/80/04/987948004.db2.gz KYAMTXCVUVNEKK-JHJVBQTASA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246550922 987948017 /nfs/dbraw/zinc/94/80/17/987948017.db2.gz KYAMTXCVUVNEKK-JHJVBQTASA-N 3 1 239.407 1.434 20 0 BDADMP CC[C@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)CCO1 ZINC001246552702 987951486 /nfs/dbraw/zinc/95/14/86/987951486.db2.gz YXKZYXSYCOMAKD-WISYIIOYSA-N 2 1 212.337 1.366 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246553432 987955574 /nfs/dbraw/zinc/95/55/74/987955574.db2.gz RVWKXLZPNYQYLF-QWHCGFSZSA-N 2 1 226.364 1.759 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246555549 987965978 /nfs/dbraw/zinc/96/59/78/987965978.db2.gz BZHQQUAQEYGCBY-JSGCOSHPSA-N 2 1 240.391 1.741 20 0 BDADMP CC1(C)CC[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246555554 987966845 /nfs/dbraw/zinc/96/68/45/987966845.db2.gz BZHQQUAQEYGCBY-TZMCWYRMSA-N 2 1 240.391 1.741 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246555612 987967021 /nfs/dbraw/zinc/96/70/21/987967021.db2.gz XUFFQHRGKZYQKK-RYUDHWBXSA-N 3 1 213.369 1.188 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246555612 987967030 /nfs/dbraw/zinc/96/70/30/987967030.db2.gz XUFFQHRGKZYQKK-RYUDHWBXSA-N 3 1 213.369 1.188 20 0 BDADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1F ZINC001117954121 987969083 /nfs/dbraw/zinc/96/90/83/987969083.db2.gz ZXFOYWUXJULQNY-UHFFFAOYSA-N 2 1 226.295 1.661 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCCOCC2)CC[C@@H]1C[NH3+] ZINC001246555853 987969930 /nfs/dbraw/zinc/96/99/30/987969930.db2.gz HEMITZWJNCQFMY-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246557380 987972083 /nfs/dbraw/zinc/97/20/83/987972083.db2.gz LHVFVEVRDWOXFQ-QWHCGFSZSA-N 2 1 246.370 1.954 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557175 987976542 /nfs/dbraw/zinc/97/65/42/987976542.db2.gz FKQFUYZRHDVMDL-JHJVBQTASA-N 2 1 226.364 1.515 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246557794 987978050 /nfs/dbraw/zinc/97/80/50/987978050.db2.gz HXNSXYFNDIQTJS-VLEAKVRGSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246557794 987978054 /nfs/dbraw/zinc/97/80/54/987978054.db2.gz HXNSXYFNDIQTJS-VLEAKVRGSA-N 2 1 200.301 1.559 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001246558791 987980618 /nfs/dbraw/zinc/98/06/18/987980618.db2.gz RJLUKKNVESDWRT-IJLUTSLNSA-N 2 1 212.337 1.125 20 0 BDADMP CCN1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)C1 ZINC001246560114 987982828 /nfs/dbraw/zinc/98/28/28/987982828.db2.gz PONYWERFHWPMQD-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246560603 987984160 /nfs/dbraw/zinc/98/41/60/987984160.db2.gz QPZMZOQXQUPXPA-FRRDWIJNSA-N 3 1 227.396 1.291 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc2c(C)cccn12 ZINC001118019057 987985004 /nfs/dbraw/zinc/98/50/04/987985004.db2.gz MIPSFGXXRAFDHN-GFCCVEGCSA-N 2 1 246.358 1.730 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246562548 988002218 /nfs/dbraw/zinc/00/22/18/988002218.db2.gz UHDQNWFSLZCOSF-HZSPNIEDSA-N 2 1 240.391 1.741 20 0 BDADMP CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246562549 988005442 /nfs/dbraw/zinc/00/54/42/988005442.db2.gz UHDQNWFSLZCOSF-MCIONIFRSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+]([C@H]2CCCOC2)C1 ZINC001246562761 988006926 /nfs/dbraw/zinc/00/69/26/988006926.db2.gz ZLNPLSSMNQPWAT-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+]([C@H]2CCCOC2)C1 ZINC001246562761 988006939 /nfs/dbraw/zinc/00/69/39/988006939.db2.gz ZLNPLSSMNQPWAT-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1(C2CC2)CCOCC1 ZINC001321815896 988009446 /nfs/dbraw/zinc/00/94/46/988009446.db2.gz PSDHKAKGFZKYHP-UHFFFAOYSA-N 2 1 249.358 1.740 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563936 988012172 /nfs/dbraw/zinc/01/21/72/988012172.db2.gz YHIVVAFXSXOVBQ-RQJABVFESA-N 2 1 239.407 1.434 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC001118118011 988018472 /nfs/dbraw/zinc/01/84/72/988018472.db2.gz CEFBWRLHYBZDGH-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC001118118011 988018487 /nfs/dbraw/zinc/01/84/87/988018487.db2.gz CEFBWRLHYBZDGH-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC001118118011 988018500 /nfs/dbraw/zinc/01/85/00/988018500.db2.gz CEFBWRLHYBZDGH-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC001246566059 988026996 /nfs/dbraw/zinc/02/69/96/988026996.db2.gz HDCKNAXGDOTXMR-WOPDTQHZSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC001246566059 988027013 /nfs/dbraw/zinc/02/70/13/988027013.db2.gz HDCKNAXGDOTXMR-WOPDTQHZSA-N 2 1 226.364 1.613 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246576497 988084387 /nfs/dbraw/zinc/08/43/87/988084387.db2.gz KLJWXMRZYGHWPW-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246577187 988089844 /nfs/dbraw/zinc/08/98/44/988089844.db2.gz NHSJEAAPDZASPZ-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP COC[C@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246579092 988098545 /nfs/dbraw/zinc/09/85/45/988098545.db2.gz APQYYBLZDVJQJE-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246579604 988101963 /nfs/dbraw/zinc/10/19/63/988101963.db2.gz KAKONXQDCYMRHB-QEJZJMRPSA-N 2 1 248.370 1.177 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CCCOCC2)C1 ZINC001246579803 988103383 /nfs/dbraw/zinc/10/33/83/988103383.db2.gz LKBNEADCAYPFLA-STQMWFEESA-N 2 1 244.354 1.708 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CCCOCC2)C1 ZINC001246579803 988103392 /nfs/dbraw/zinc/10/33/92/988103392.db2.gz LKBNEADCAYPFLA-STQMWFEESA-N 2 1 244.354 1.708 20 0 BDADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580071 988103434 /nfs/dbraw/zinc/10/34/34/988103434.db2.gz KPRXBIDGIPROGO-MQYQWHSLSA-N 2 1 242.407 1.843 20 0 BDADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582761 988119762 /nfs/dbraw/zinc/11/97/62/988119762.db2.gz HMMUSGYRGBYLFM-CYDGBPFRSA-N 2 1 228.380 1.453 20 0 BDADMP CN1CC[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246583360 988121858 /nfs/dbraw/zinc/12/18/58/988121858.db2.gz JURDXDKFUBVOFZ-STQMWFEESA-N 2 1 225.380 1.141 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582930 988128056 /nfs/dbraw/zinc/12/80/56/988128056.db2.gz PEWYGZUSMMTXEM-NDBYEHHHSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246585834 988134427 /nfs/dbraw/zinc/13/44/27/988134427.db2.gz RGSBJDUSWQZTGG-RVMXOQNASA-N 2 1 240.391 1.453 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590334 988168691 /nfs/dbraw/zinc/16/86/91/988168691.db2.gz SKCKKNFFUBYMSJ-NDBYEHHHSA-N 2 1 226.364 1.220 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCSC2)CC[C@@H]1F ZINC001246596068 988199771 /nfs/dbraw/zinc/19/97/71/988199771.db2.gz YTBXEJDAXWDAJD-GARJFASQSA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCSC2)CC[C@@H]1F ZINC001246596068 988199776 /nfs/dbraw/zinc/19/97/76/988199776.db2.gz YTBXEJDAXWDAJD-GARJFASQSA-N 2 1 232.368 1.643 20 0 BDADMP CC(C)CCC[C@@H](C)[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246604447 988212875 /nfs/dbraw/zinc/21/28/75/988212875.db2.gz SROUBDLQLALLCF-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CCC[C@@H](C)[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246604447 988212880 /nfs/dbraw/zinc/21/28/80/988212880.db2.gz SROUBDLQLALLCF-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618522 988254498 /nfs/dbraw/zinc/25/44/98/988254498.db2.gz LQLYAAPFAFINLG-RFGFWPKPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618520 988254963 /nfs/dbraw/zinc/25/49/63/988254963.db2.gz LQLYAAPFAFINLG-MQYQWHSLSA-N 2 1 237.391 1.201 20 0 BDADMP C1OCC12CCC([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246629005 988306603 /nfs/dbraw/zinc/30/66/03/988306603.db2.gz DCTWOPVLOQOWRH-QWHCGFSZSA-N 2 1 236.359 1.382 20 0 BDADMP O=C1C[C@H]2CC([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C[C@@H]2C1 ZINC001246633195 988320774 /nfs/dbraw/zinc/32/07/74/988320774.db2.gz JZEZHNABPFZTOE-XYHOJCAOSA-N 2 1 234.343 1.180 20 0 BDADMP O=C1C[C@H]2CC([N@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C[C@@H]2C1 ZINC001246633195 988320783 /nfs/dbraw/zinc/32/07/83/988320783.db2.gz JZEZHNABPFZTOE-XYHOJCAOSA-N 2 1 234.343 1.180 20 0 BDADMP FC1(F)C[C@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246640156 988333189 /nfs/dbraw/zinc/33/31/89/988333189.db2.gz SMFJGYJZMABPIG-AOOOYVTPSA-N 2 1 230.302 1.716 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246641208 988348086 /nfs/dbraw/zinc/34/80/86/988348086.db2.gz HXPVRXZXRIXPGR-VYDRJRHOSA-N 3 1 249.402 1.438 20 0 BDADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646564 988363141 /nfs/dbraw/zinc/36/31/41/988363141.db2.gz GBPIRACEPMWVEB-HIFRSBDPSA-N 3 1 249.402 1.347 20 0 BDADMP C1[NH2+]CC12CC[C@@H](N1CCCC[C@@]13CC[NH2+]C3)C2 ZINC001246646564 988363154 /nfs/dbraw/zinc/36/31/54/988363154.db2.gz GBPIRACEPMWVEB-HIFRSBDPSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC001246645505 988364091 /nfs/dbraw/zinc/36/40/91/988364091.db2.gz BSJWYXHYNVWVKC-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH2+]CC[C@@H](C)N1CCC2(CC[NH2+]CC2)CC1 ZINC001246656710 988387952 /nfs/dbraw/zinc/38/79/52/988387952.db2.gz VGMDCQVMWKWQPO-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP CCCC[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660677 988394299 /nfs/dbraw/zinc/39/42/99/988394299.db2.gz IVDFXZKWGJUXKH-YHQUGGNUSA-N 3 1 237.391 1.186 20 0 BDADMP CCCC[C@H]1C[C@@H](N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660677 988394307 /nfs/dbraw/zinc/39/43/07/988394307.db2.gz IVDFXZKWGJUXKH-YHQUGGNUSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670078 988408381 /nfs/dbraw/zinc/40/83/81/988408381.db2.gz WFFAZSYEPLDAFS-MMWGEVLESA-N 2 1 246.301 1.093 20 0 BDADMP C1C[C@H]2CC([N@H+]3[C@@H]4CC[C@H]3C[NH2+]CC4)C[C@@H]1[NH2+]2 ZINC001246677797 988425795 /nfs/dbraw/zinc/42/57/95/988425795.db2.gz OHWSDDKUYUSPPG-ZBBUEOHVSA-N 3 1 235.375 1.096 20 0 BDADMP C1C[C@H]2CC(N3[C@@H]4CC[C@H]3C[NH2+]CC4)C[C@@H]1[NH2+]2 ZINC001246677797 988425811 /nfs/dbraw/zinc/42/58/11/988425811.db2.gz OHWSDDKUYUSPPG-ZBBUEOHVSA-N 2 1 235.375 1.096 20 0 BDADMP C1C[C@H]2CC([N@@H+]3[C@@H]4CC[C@H]3CNCC4)C[C@@H]1[NH2+]2 ZINC001246677797 988425819 /nfs/dbraw/zinc/42/58/19/988425819.db2.gz OHWSDDKUYUSPPG-ZBBUEOHVSA-N 2 1 235.375 1.096 20 0 BDADMP C1C[C@H]2CC([N@H+]3[C@@H]4CC[C@H]3CNCC4)C[C@@H]1[NH2+]2 ZINC001246677797 988425829 /nfs/dbraw/zinc/42/58/29/988425829.db2.gz OHWSDDKUYUSPPG-ZBBUEOHVSA-N 2 1 235.375 1.096 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCN[C@H](C(C)C)C2)CC1 ZINC001246688920 988437593 /nfs/dbraw/zinc/43/75/93/988437593.db2.gz WWKSJYUSVKGZBA-RUXDESIVSA-N 2 1 239.407 1.447 20 0 BDADMP C[NH2+]C1CCC(N2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001246688920 988437596 /nfs/dbraw/zinc/43/75/96/988437596.db2.gz WWKSJYUSVKGZBA-RUXDESIVSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246688233 988437709 /nfs/dbraw/zinc/43/77/09/988437709.db2.gz DNRCMPARTOHLRM-WUHRBBMRSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@@H](C)[NH2+]C3)CC[C@H]2O1 ZINC001246699666 988447872 /nfs/dbraw/zinc/44/78/72/988447872.db2.gz YEWCUPXBLAJIEH-IKOXMDCHSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@H]3CC[C@@H](C)[NH2+]C3)CC[C@H]2O1 ZINC001246699666 988447878 /nfs/dbraw/zinc/44/78/78/988447878.db2.gz YEWCUPXBLAJIEH-IKOXMDCHSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704417 988447894 /nfs/dbraw/zinc/44/78/94/988447894.db2.gz VKRNDHKLQPBMHG-CRWXNKLISA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704417 988447901 /nfs/dbraw/zinc/44/79/01/988447901.db2.gz VKRNDHKLQPBMHG-CRWXNKLISA-N 3 1 237.391 1.010 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704417 988447908 /nfs/dbraw/zinc/44/79/08/988447908.db2.gz VKRNDHKLQPBMHG-CRWXNKLISA-N 3 1 237.391 1.010 20 0 BDADMP c1cncc([C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246791700 988467751 /nfs/dbraw/zinc/46/77/51/988467751.db2.gz LUFRXHBKGVULNZ-ZDUSSCGKSA-N 2 1 231.343 1.623 20 0 BDADMP CCOC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246814996 988498916 /nfs/dbraw/zinc/49/89/16/988498916.db2.gz BIRZVLPKYKSCNS-QJPTWQEYSA-N 2 1 240.347 1.012 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246829568 988524043 /nfs/dbraw/zinc/52/40/43/988524043.db2.gz MEXMFPNYMREQLD-SRVKXCTJSA-N 2 1 240.347 1.012 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246838393 988541488 /nfs/dbraw/zinc/54/14/88/988541488.db2.gz HGGLFAHUGXJBTA-SDDRHHMPSA-N 2 1 240.347 1.154 20 0 BDADMP C1C[NH2+]C[C@H]([NH+]2CCC3(CCOCC3)CC2)C1 ZINC001246843892 988557382 /nfs/dbraw/zinc/55/73/82/988557382.db2.gz XFSSTIKCSLWERR-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246850663 988566787 /nfs/dbraw/zinc/56/67/87/988566787.db2.gz CNFFIVJRCIIOCJ-FVCCEPFGSA-N 2 1 208.349 1.988 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246853252 988569620 /nfs/dbraw/zinc/56/96/20/988569620.db2.gz LJJHBIKVPGLIPC-VOAKCMCISA-N 2 1 208.349 1.988 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)C[C@@H]21 ZINC001246851809 988569726 /nfs/dbraw/zinc/56/97/26/988569726.db2.gz HPWQBYIUZYMOPW-ZXPJVPCYSA-N 2 1 220.360 1.844 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246859589 988588054 /nfs/dbraw/zinc/58/80/54/988588054.db2.gz GGAWUBIBEOVSJT-DRZSPHRISA-N 2 1 224.348 1.570 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246859589 988588089 /nfs/dbraw/zinc/58/80/89/988588089.db2.gz GGAWUBIBEOVSJT-DRZSPHRISA-N 2 1 224.348 1.570 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC3(C2)C[C@@H](F)CS3)CC[NH2+]1 ZINC001246863776 988606269 /nfs/dbraw/zinc/60/62/69/988606269.db2.gz ZBAPQYJQYKVXFB-GMTAPVOTSA-N 2 1 244.379 1.656 20 0 BDADMP CSCC[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246869564 988625275 /nfs/dbraw/zinc/62/52/75/988625275.db2.gz MNJJOLZHMGDPIO-GUBZILKMSA-N 2 1 200.351 1.161 20 0 BDADMP CSCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246869564 988625282 /nfs/dbraw/zinc/62/52/82/988625282.db2.gz MNJJOLZHMGDPIO-GUBZILKMSA-N 2 1 200.351 1.161 20 0 BDADMP FC1(F)CO[C@]2(CC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC001246880773 988648347 /nfs/dbraw/zinc/64/83/47/988648347.db2.gz RWIHSNRIPGPIKV-LLVKDONJSA-N 2 1 246.301 1.239 20 0 BDADMP FC1(F)CO[C@]2(CC[N@H+](C3CC[NH2+]CC3)C2)C1 ZINC001246880773 988648352 /nfs/dbraw/zinc/64/83/52/988648352.db2.gz RWIHSNRIPGPIKV-LLVKDONJSA-N 2 1 246.301 1.239 20 0 BDADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CCCC[NH3+])CC[NH2+]1 ZINC001246890655 988660241 /nfs/dbraw/zinc/66/02/41/988660241.db2.gz KOJBIFPXMJDURB-KGLIPLIRSA-N 3 1 241.423 1.968 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+](C)CCCC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246890579 988661774 /nfs/dbraw/zinc/66/17/74/988661774.db2.gz IKVDNDKSPMDCAS-WDNDVIMCSA-N 3 1 241.423 1.966 20 0 BDADMP CCC[C@H]1C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CCN1 ZINC001246902445 988676163 /nfs/dbraw/zinc/67/61/63/988676163.db2.gz LJXPKMGEGJPAJM-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@H]1CN([C@@H]2CCC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246902445 988676166 /nfs/dbraw/zinc/67/61/66/988676166.db2.gz LJXPKMGEGJPAJM-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@H]1C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)CCN1 ZINC001246902446 988677336 /nfs/dbraw/zinc/67/73/36/988677336.db2.gz LJXPKMGEGJPAJM-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@H]1CN([C@H]2CCC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246902446 988677340 /nfs/dbraw/zinc/67/73/40/988677340.db2.gz LJXPKMGEGJPAJM-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP C[N@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246905755 988680389 /nfs/dbraw/zinc/68/03/89/988680389.db2.gz GIPAPOPPXTVEAC-RMSJZQPVSA-N 3 1 237.391 1.471 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C[NH3+])C1 ZINC001246913071 988695518 /nfs/dbraw/zinc/69/55/18/988695518.db2.gz JSXZIHJWAMCNJO-IJLUTSLNSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2C[NH3+])C1 ZINC001246913071 988695522 /nfs/dbraw/zinc/69/55/22/988695522.db2.gz JSXZIHJWAMCNJO-IJLUTSLNSA-N 2 1 240.347 1.141 20 0 BDADMP C1[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246915388 988706299 /nfs/dbraw/zinc/70/62/99/988706299.db2.gz FZQZFFFWLXFWSH-QEJZJMRPSA-N 2 1 249.402 1.297 20 0 BDADMP COC[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246915153 988708868 /nfs/dbraw/zinc/70/88/68/988708868.db2.gz VQHXLLIHXDEWBB-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246917563 988715367 /nfs/dbraw/zinc/71/53/67/988715367.db2.gz KCHVGHPJXLJOJN-BLYZHGLHSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCO1 ZINC001246929321 988755336 /nfs/dbraw/zinc/75/53/36/988755336.db2.gz DVBKNXOADZPWHR-YIYPIFLZSA-N 2 1 238.375 1.485 20 0 BDADMP C1C[C@H]2CC([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246933180 988763479 /nfs/dbraw/zinc/76/34/79/988763479.db2.gz QVSJPJCLHRVHQX-RRIFHVCJSA-N 3 1 249.402 1.201 20 0 BDADMP CCC[NH+]1C[C@H]2C[NH+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246940096 988773893 /nfs/dbraw/zinc/77/38/93/988773893.db2.gz IDDCERKFGRMGPV-STQMWFEESA-N 3 1 237.391 1.012 20 0 BDADMP C[NH2+]C1CCC(N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001246943620 988775319 /nfs/dbraw/zinc/77/53/19/988775319.db2.gz MUBYZESXPPOLPH-ZSVAQUKISA-N 2 1 225.380 1.199 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@H+]1C[C@@H]3CC[C@H]1CN3)C2 ZINC001246946086 988782249 /nfs/dbraw/zinc/78/22/49/988782249.db2.gz ZUEFBUOHPZSCMD-XGUBFFRZSA-N 2 1 249.402 1.345 20 0 BDADMP C1CC([NH+](C2CC[NH2+]CC2)C2CC[NH2+]CC2)C1 ZINC001246972622 988801595 /nfs/dbraw/zinc/80/15/95/988801595.db2.gz DKAUMZSHVSHGNS-UHFFFAOYSA-N 3 1 237.391 1.345 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246973505 988806919 /nfs/dbraw/zinc/80/69/19/988806919.db2.gz KFLWTMGBCOXTJJ-RVMXOQNASA-N 2 1 225.380 1.281 20 0 BDADMP CC[C@H]([NH3+])CN(C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246975418 988807384 /nfs/dbraw/zinc/80/73/84/988807384.db2.gz UFZAGCUPZDLLSM-ICIURTGMSA-N 2 1 239.407 1.671 20 0 BDADMP CC(C)[N@H+]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC001246977582 988812499 /nfs/dbraw/zinc/81/24/99/988812499.db2.gz DYMPVEDJQFRBAZ-HZSPNIEDSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H]([NH3+])CN(C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246981904 988814980 /nfs/dbraw/zinc/81/49/80/988814980.db2.gz UHLHBOCVRARAJZ-ACJTYDJDSA-N 2 1 225.380 1.281 20 0 BDADMP CC(C)CC[C@H](C)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990291 988821081 /nfs/dbraw/zinc/82/10/81/988821081.db2.gz PZNBLHXWQXEKSK-NWDGAFQWSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)CC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990291 988821086 /nfs/dbraw/zinc/82/10/86/988821086.db2.gz PZNBLHXWQXEKSK-NWDGAFQWSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)CC[C@H](C)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990291 988821091 /nfs/dbraw/zinc/82/10/91/988821091.db2.gz PZNBLHXWQXEKSK-NWDGAFQWSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)CCC([N@@H+]2C[C@H]([NH3+])C3(COC3)C2)CC1 ZINC001246985827 988822091 /nfs/dbraw/zinc/82/20/91/988822091.db2.gz BONRPBZLLCOZRU-LBPRGKRZSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@H]([NH3+])C3(COC3)C2)CC1 ZINC001246985827 988822094 /nfs/dbraw/zinc/82/20/94/988822094.db2.gz BONRPBZLLCOZRU-LBPRGKRZSA-N 2 1 238.375 1.615 20 0 BDADMP C1=C2NCC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@H]2CCC1 ZINC001246997167 988827390 /nfs/dbraw/zinc/82/73/90/988827390.db2.gz QYIJUYKPRCKSBD-JLNYLFASSA-N 2 1 247.386 1.326 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC001246997259 988829636 /nfs/dbraw/zinc/82/96/36/988829636.db2.gz TVMHHUMKYQECOM-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)CC[NH2+]1 ZINC001247000844 988830881 /nfs/dbraw/zinc/83/08/81/988830881.db2.gz HCJYAXDEXOKGLS-LPWJVIDDSA-N 2 1 236.359 1.428 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)CC[NH2+]1 ZINC001247000841 988833498 /nfs/dbraw/zinc/83/34/98/988833498.db2.gz HCJYAXDEXOKGLS-FDYHWXHSSA-N 2 1 236.359 1.428 20 0 BDADMP O=C1CCC[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC001247007890 988837999 /nfs/dbraw/zinc/83/79/99/988837999.db2.gz ZCLUUODHVTVSQS-IJLUTSLNSA-N 2 1 222.332 1.039 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014490 988840516 /nfs/dbraw/zinc/84/05/16/988840516.db2.gz KLZINODFVZAPPW-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014490 988840518 /nfs/dbraw/zinc/84/05/18/988840518.db2.gz KLZINODFVZAPPW-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+]([C@H]3CCCSC3)C[C@H]2C1 ZINC001247012498 988841583 /nfs/dbraw/zinc/84/15/83/988841583.db2.gz DVHPTRSUTRKMCP-FRRDWIJNSA-N 2 1 240.416 1.956 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@H]3CCCSC3)C[C@H]2C1 ZINC001247012498 988841587 /nfs/dbraw/zinc/84/15/87/988841587.db2.gz DVHPTRSUTRKMCP-FRRDWIJNSA-N 2 1 240.416 1.956 20 0 BDADMP Cc1ccccc1-c1noc([C@@H]([NH3+])CCC[NH3+])n1 ZINC001247510115 988906140 /nfs/dbraw/zinc/90/61/40/988906140.db2.gz YFVUZDVLZNXNCR-NSHDSACASA-N 2 1 246.314 1.784 20 0 BDADMP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2)C1 ZINC001515204881 988999555 /nfs/dbraw/zinc/99/95/55/988999555.db2.gz LRGTXZVONOONBB-ZDUSSCGKSA-N 2 1 233.359 1.893 20 0 BDADMP C[N@@H+](CCCCNc1cc[nH+]c(N)n1)C1CC1 ZINC001515805248 989121605 /nfs/dbraw/zinc/12/16/05/989121605.db2.gz QWDZGHWGSWDBDC-UHFFFAOYSA-N 2 1 235.335 1.345 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC001119688509 989335396 /nfs/dbraw/zinc/33/53/96/989335396.db2.gz HLSMUQIBWOPCFZ-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC001119693210 989339301 /nfs/dbraw/zinc/33/93/01/989339301.db2.gz WBGBXZNRAKJZEC-BFHYXJOUSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1C[C@@H](C)N(C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC001119693210 989339308 /nfs/dbraw/zinc/33/93/08/989339308.db2.gz WBGBXZNRAKJZEC-BFHYXJOUSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1C[C@@H](C)N(C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC001119693210 989339320 /nfs/dbraw/zinc/33/93/20/989339320.db2.gz WBGBXZNRAKJZEC-BFHYXJOUSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC001120052592 989582459 /nfs/dbraw/zinc/58/24/59/989582459.db2.gz YECFHWYTFSRZOL-AWEZNQCLSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc[nH]3)C[C@H]2C1 ZINC001120072147 989588677 /nfs/dbraw/zinc/58/86/77/989588677.db2.gz RSUBSCMTIFAMAF-YRGRVCCFSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]cn3)C[C@H]2C1 ZINC001120072147 989588686 /nfs/dbraw/zinc/58/86/86/989588686.db2.gz RSUBSCMTIFAMAF-YRGRVCCFSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]cn3)C[C@H]2C1 ZINC001120072147 989588693 /nfs/dbraw/zinc/58/86/93/989588693.db2.gz RSUBSCMTIFAMAF-YRGRVCCFSA-N 2 1 248.374 1.572 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001308555393 991036579 /nfs/dbraw/zinc/03/65/79/991036579.db2.gz VOMWUDIWFOBCSF-RRFJBIMHSA-N 2 1 245.370 1.820 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCO)C[C@@H](C)C1 ZINC001258164005 991038543 /nfs/dbraw/zinc/03/85/43/991038543.db2.gz PSAHIZTYQXUCFU-WDNDVIMCSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)[C@@H]1CCCO1 ZINC001308984902 991251540 /nfs/dbraw/zinc/25/15/40/991251540.db2.gz QFHXKHLBJGQZKT-MRTXSQPYSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC001559913329 991326311 /nfs/dbraw/zinc/32/63/11/991326311.db2.gz NHSRSXIPWPCBBL-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[C@@H](O)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001559913329 991326319 /nfs/dbraw/zinc/32/63/19/991326319.db2.gz NHSRSXIPWPCBBL-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[C@@H](O)C[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC001559913329 991326332 /nfs/dbraw/zinc/32/63/32/991326332.db2.gz NHSRSXIPWPCBBL-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CC3(CC)COC3)C[C@@H]2C1 ZINC001202963893 991342073 /nfs/dbraw/zinc/34/20/73/991342073.db2.gz COLBEAQJIZVJEL-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CC3(CC)COC3)C[C@@H]2C1 ZINC001202963893 991342079 /nfs/dbraw/zinc/34/20/79/991342079.db2.gz COLBEAQJIZVJEL-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CC3(CC)COC3)C[C@@H]2C1 ZINC001202963893 991342090 /nfs/dbraw/zinc/34/20/90/991342090.db2.gz COLBEAQJIZVJEL-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@H](CC1CC1)N1CC[NH+](CCCC[NH3+])CC1 ZINC001258456881 991408881 /nfs/dbraw/zinc/40/88/81/991408881.db2.gz RHXZULOVVHCOOY-CYBMUJFWSA-N 2 1 239.407 1.532 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CCC(=O)OCC ZINC001258475094 991444748 /nfs/dbraw/zinc/44/47/48/991444748.db2.gz AHBASTQUIILEAL-LBPRGKRZSA-N 2 1 244.379 1.779 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000401679983 991472930 /nfs/dbraw/zinc/47/29/30/991472930.db2.gz QTESSVUMZHBQPG-GFCCVEGCSA-N 2 1 245.330 1.353 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000401679984 991473481 /nfs/dbraw/zinc/47/34/81/991473481.db2.gz QTESSVUMZHBQPG-LBPRGKRZSA-N 2 1 245.330 1.353 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001560623083 991526575 /nfs/dbraw/zinc/52/65/75/991526575.db2.gz PUTTVOZIZMVYFN-KWCYVHTRSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001560623083 991526585 /nfs/dbraw/zinc/52/65/85/991526585.db2.gz PUTTVOZIZMVYFN-KWCYVHTRSA-N 2 1 248.374 1.158 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425400 991674805 /nfs/dbraw/zinc/67/48/05/991674805.db2.gz IXMFTOIYPANSFW-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC001258771629 991735234 /nfs/dbraw/zinc/73/52/34/991735234.db2.gz MEEDPGJKGGRRKE-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CCC[NH+]1CCC(N(C)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001258775195 991739850 /nfs/dbraw/zinc/73/98/50/991739850.db2.gz DUGINDOSHPGXJY-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@H]2COC)CC1 ZINC001258778076 991743530 /nfs/dbraw/zinc/74/35/30/991743530.db2.gz UNDRDNIZGBHRBA-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@H]2COC)CC1 ZINC001258778076 991743537 /nfs/dbraw/zinc/74/35/37/991743537.db2.gz UNDRDNIZGBHRBA-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)C1CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001258798041 991791288 /nfs/dbraw/zinc/79/12/88/991791288.db2.gz QOSCHPYCAHQPTE-UHFFFAOYSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)C1CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001258798041 991791303 /nfs/dbraw/zinc/79/13/03/991791303.db2.gz QOSCHPYCAHQPTE-UHFFFAOYSA-N 2 1 228.380 1.454 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001474736981 991824273 /nfs/dbraw/zinc/82/42/73/991824273.db2.gz KLTYYOOYROCNHT-AAEUAGOBSA-N 2 1 249.358 1.668 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001474736981 991824277 /nfs/dbraw/zinc/82/42/77/991824277.db2.gz KLTYYOOYROCNHT-AAEUAGOBSA-N 2 1 249.358 1.668 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001474736986 991824377 /nfs/dbraw/zinc/82/43/77/991824377.db2.gz KLTYYOOYROCNHT-DGCLKSJQSA-N 2 1 249.358 1.668 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001474736986 991824378 /nfs/dbraw/zinc/82/43/78/991824378.db2.gz KLTYYOOYROCNHT-DGCLKSJQSA-N 2 1 249.358 1.668 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](O)C[C@H]1C ZINC001258908641 991901670 /nfs/dbraw/zinc/90/16/70/991901670.db2.gz ZJDZUNCLSQKLAG-MCIONIFRSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC001261423343 992294901 /nfs/dbraw/zinc/29/49/01/992294901.db2.gz UGVPDPYYQKUMKK-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP C=C/C=C/CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001574887999 992934623 /nfs/dbraw/zinc/93/46/23/992934623.db2.gz FYEJSILWTXGMBG-NWALNABHSA-N 2 1 204.264 1.691 20 0 BDADMP CC(C)(C)[N@H+]1CCCN(c2cc(N)ncn2)CC1 ZINC001262681456 993020503 /nfs/dbraw/zinc/02/05/03/993020503.db2.gz NYQIHVJGTSOKEG-UHFFFAOYSA-N 2 1 249.362 1.369 20 0 BDADMP CC(C)(O)CC[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001575380665 993033422 /nfs/dbraw/zinc/03/34/22/993033422.db2.gz ZQFSYTSZZVZVIO-PWSUYJOCSA-N 2 1 212.337 1.022 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001575423328 993040682 /nfs/dbraw/zinc/04/06/82/993040682.db2.gz SASUGIDHIIUFRN-RYUDHWBXSA-N 2 1 228.380 1.310 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001575423324 993042556 /nfs/dbraw/zinc/04/25/56/993042556.db2.gz SASUGIDHIIUFRN-NEPJUHHUSA-N 2 1 228.380 1.310 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC[C@H]1CCO1 ZINC001575453937 993047360 /nfs/dbraw/zinc/04/73/60/993047360.db2.gz XPHKLHDWOYFACY-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001575566301 993072806 /nfs/dbraw/zinc/07/28/06/993072806.db2.gz UIUGYFFVJYMVFL-RDBSUJKOSA-N 2 1 240.391 1.325 20 0 BDADMP CC(C)CNC(=O)CCC[N@@H+](C)CC(C)(C)[NH3+] ZINC001575599014 993080689 /nfs/dbraw/zinc/08/06/89/993080689.db2.gz BTRASSULTYWFLA-UHFFFAOYSA-N 2 1 243.395 1.208 20 0 BDADMP CC(C)N1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001575699737 993099372 /nfs/dbraw/zinc/09/93/72/993099372.db2.gz KJYIXTQSZOYVBW-UONOGXRCSA-N 2 1 239.407 1.530 20 0 BDADMP CC(C)OC1CC([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001575749501 993104936 /nfs/dbraw/zinc/10/49/36/993104936.db2.gz GWHBOTDYBRJEDZ-HBIQZDMRSA-N 2 1 212.337 1.140 20 0 BDADMP C[C@@H](CCCO)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575954190 993138912 /nfs/dbraw/zinc/13/89/12/993138912.db2.gz QXYVSHPBYMMDIK-DTWKUNHWSA-N 2 1 242.285 1.264 20 0 BDADMP C[C@H](CCCO)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575954189 993139061 /nfs/dbraw/zinc/13/90/61/993139061.db2.gz QXYVSHPBYMMDIK-BDAKNGLRSA-N 2 1 242.285 1.264 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC001576152925 993190069 /nfs/dbraw/zinc/19/00/69/993190069.db2.gz MJDYEEXYPHDPTD-UWVGGRQHSA-N 2 1 222.336 1.433 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001576155756 993194746 /nfs/dbraw/zinc/19/47/46/993194746.db2.gz CESTVTRMSCWIQA-SRVKXCTJSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001576155756 993194751 /nfs/dbraw/zinc/19/47/51/993194751.db2.gz CESTVTRMSCWIQA-SRVKXCTJSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]([NH2+]C1CC2(C[C@@H]2[NH3+])C1)c1csnn1 ZINC001576238940 993225265 /nfs/dbraw/zinc/22/52/65/993225265.db2.gz JJTUIPWZLGDKHC-XMSSXRJCSA-N 2 1 224.333 1.069 20 0 BDADMP Cc1cc[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC000585382620 993262102 /nfs/dbraw/zinc/26/21/02/993262102.db2.gz QYOOJCSSMPLVDM-VXGBXAGGSA-N 2 1 217.316 1.388 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C3Cc4ccccc4C3)C[C@@H]2C1 ZINC000585381948 993263632 /nfs/dbraw/zinc/26/36/32/993263632.db2.gz DOICZJROHDHBEA-GASCZTMLSA-N 2 1 242.366 1.647 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C3Cc4ccccc4C3)C[C@@H]2C1 ZINC000585381948 993263642 /nfs/dbraw/zinc/26/36/42/993263642.db2.gz DOICZJROHDHBEA-GASCZTMLSA-N 2 1 242.366 1.647 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)CC1CC1 ZINC000379792410 993279790 /nfs/dbraw/zinc/27/97/90/993279790.db2.gz JNUTYUXQCKXPHH-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP COC(=O)C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000379896830 993289198 /nfs/dbraw/zinc/28/91/98/993289198.db2.gz HLSTZYHLUCWFLI-JTQLQIEISA-N 2 1 240.347 1.154 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000379936049 993297067 /nfs/dbraw/zinc/29/70/67/993297067.db2.gz XIHSAGLUKUFPAT-VXGBXAGGSA-N 2 1 228.405 1.943 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC000379936046 993298399 /nfs/dbraw/zinc/29/83/99/993298399.db2.gz XIHSAGLUKUFPAT-NEPJUHHUSA-N 2 1 228.405 1.943 20 0 BDADMP CC1(C)CC[C@@H](O)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001576446674 993306674 /nfs/dbraw/zinc/30/66/74/993306674.db2.gz YMWPGHCHVFWSJJ-IJLUTSLNSA-N 2 1 226.364 1.268 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC000380034371 993308697 /nfs/dbraw/zinc/30/86/97/993308697.db2.gz QAGWQEYIBUVLKJ-CQSZACIVSA-N 2 1 240.391 1.864 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnccn2)C1 ZINC001576479564 993317466 /nfs/dbraw/zinc/31/74/66/993317466.db2.gz FDXUTJLPRBXQJE-LLVKDONJSA-N 2 1 234.347 1.344 20 0 BDADMP CC1(C)[C@H]2[C@H](CCC[N@H+]2C[C@H]2CC[NH2+]C2)[C@@H]1O ZINC001576495417 993322088 /nfs/dbraw/zinc/32/20/88/993322088.db2.gz TWCAUYLVVLXFPE-RVMXOQNASA-N 2 1 238.375 1.077 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380395222 993329640 /nfs/dbraw/zinc/32/96/40/993329640.db2.gz JAEYWRIBGVIFEX-UPJWGTAASA-N 2 1 240.391 1.277 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC001576597766 993360330 /nfs/dbraw/zinc/36/03/30/993360330.db2.gz HPFGURLSZPAHCI-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC001576597766 993360337 /nfs/dbraw/zinc/36/03/37/993360337.db2.gz HPFGURLSZPAHCI-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCO1 ZINC001576598208 993363853 /nfs/dbraw/zinc/36/38/53/993363853.db2.gz MQTIPJUNQRBBRM-SYQHCUMBSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC001576637369 993380321 /nfs/dbraw/zinc/38/03/21/993380321.db2.gz RHNMULJYUDXSPZ-IJLVLRJLSA-N 2 1 224.348 1.142 20 0 BDADMP COc1ccncc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000381222506 993380682 /nfs/dbraw/zinc/38/06/82/993380682.db2.gz GKWRIAFQPBBELL-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ccncc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000381222506 993380687 /nfs/dbraw/zinc/38/06/87/993380687.db2.gz GKWRIAFQPBBELL-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(N)n3)C[C@@H]2C1 ZINC000381245220 993382129 /nfs/dbraw/zinc/38/21/29/993382129.db2.gz LCJLALIQQJAGND-NEPJUHHUSA-N 2 1 246.358 1.047 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCC(C)(C)[NH3+] ZINC001576705515 993399796 /nfs/dbraw/zinc/39/97/96/993399796.db2.gz TVODZHGBMHJFCQ-VXGBXAGGSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1CO ZINC001576728989 993405031 /nfs/dbraw/zinc/40/50/31/993405031.db2.gz BKTZFCILYQWLCP-MGPQQGTHSA-N 2 1 240.391 1.326 20 0 BDADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001576731623 993409255 /nfs/dbraw/zinc/40/92/55/993409255.db2.gz MNNNUTINCUKIEC-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001576731623 993409261 /nfs/dbraw/zinc/40/92/61/993409261.db2.gz MNNNUTINCUKIEC-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC001576849666 993431956 /nfs/dbraw/zinc/43/19/56/993431956.db2.gz HQQGPUUYMUUGFT-WXCVZDNMSA-N 2 1 208.349 1.619 20 0 BDADMP C[C@H]1c2cccn2CC[N@H+]1CC1(C[NH3+])CCC1 ZINC001576915447 993454622 /nfs/dbraw/zinc/45/46/22/993454622.db2.gz VQQMVZBKQWBLLD-LBPRGKRZSA-N 2 1 233.359 1.994 20 0 BDADMP C[C@H]1c2cccn2CC[N@@H+]1CC1(C[NH3+])CCC1 ZINC001576915447 993454626 /nfs/dbraw/zinc/45/46/26/993454626.db2.gz VQQMVZBKQWBLLD-LBPRGKRZSA-N 2 1 233.359 1.994 20 0 BDADMP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576963346 993470960 /nfs/dbraw/zinc/47/09/60/993470960.db2.gz YDMFMXHENHKABQ-RVMXOQNASA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576963346 993470962 /nfs/dbraw/zinc/47/09/62/993470962.db2.gz YDMFMXHENHKABQ-RVMXOQNASA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)N1CC(Nc2ccc3c(n2)CCC3)C1 ZINC000383071713 993478456 /nfs/dbraw/zinc/47/84/56/993478456.db2.gz GBTZOGBJQPJOBU-UHFFFAOYSA-N 2 1 231.343 1.497 20 0 BDADMP CCC(CC)(C[NH3+])C[N@@H+](C)C1CC(O)C1 ZINC001577050737 993489603 /nfs/dbraw/zinc/48/96/03/993489603.db2.gz AZEKLDWYJXKQAT-UHFFFAOYSA-N 2 1 214.353 1.207 20 0 BDADMP CCC(CC)(C[NH3+])C[NH2+]C[C@H](C)N(C)C ZINC001577052057 993490471 /nfs/dbraw/zinc/49/04/71/993490471.db2.gz HRQOMPQHJDUXHH-NSHDSACASA-N 2 1 215.385 1.291 20 0 BDADMP CCC(CC)(CO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577060592 993493204 /nfs/dbraw/zinc/49/32/04/993493204.db2.gz UBYPJIQIZZRXBW-QMMMGPOBSA-N 2 1 242.285 1.407 20 0 BDADMP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)OC ZINC001577090692 993501898 /nfs/dbraw/zinc/50/18/98/993501898.db2.gz UQVGANZXOSWDQF-QWRGUYRKSA-N 2 1 240.347 1.060 20 0 BDADMP CC[C@]1(C)CCC[N@@H+](C[C@@]2(O)CC[NH2+]C2)C1 ZINC001577205652 993547902 /nfs/dbraw/zinc/54/79/02/993547902.db2.gz VVTYUEMRNDHTJA-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC001577403813 993644124 /nfs/dbraw/zinc/64/41/24/993644124.db2.gz JGFVIKUPYWAVSR-UTUOFQBUSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC001577403813 993644128 /nfs/dbraw/zinc/64/41/28/993644128.db2.gz JGFVIKUPYWAVSR-UTUOFQBUSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC ZINC001577444549 993665520 /nfs/dbraw/zinc/66/55/20/993665520.db2.gz AKGBIQRHQHKFFU-VXGBXAGGSA-N 2 1 243.395 1.221 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001577510248 993675799 /nfs/dbraw/zinc/67/57/99/993675799.db2.gz HKULHHNMDDQFAJ-IJLUTSLNSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001577535771 993681690 /nfs/dbraw/zinc/68/16/90/993681690.db2.gz HMSKBFBYBWFGKO-MJBXVCDLSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC001577535771 993681696 /nfs/dbraw/zinc/68/16/96/993681696.db2.gz HMSKBFBYBWFGKO-MJBXVCDLSA-N 3 1 239.407 1.578 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(O)cn3)C[C@@H]2C1 ZINC000386565980 993691096 /nfs/dbraw/zinc/69/10/96/993691096.db2.gz WKSWWKBYSYKOGB-NEPJUHHUSA-N 2 1 247.342 1.171 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(O)cn3)C[C@@H]2C1 ZINC000386565980 993691101 /nfs/dbraw/zinc/69/11/01/993691101.db2.gz WKSWWKBYSYKOGB-NEPJUHHUSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(O)cn3)C[C@@H]2C1 ZINC000386565980 993691106 /nfs/dbraw/zinc/69/11/06/993691106.db2.gz WKSWWKBYSYKOGB-NEPJUHHUSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(O)cn3)C[C@@H]2C1 ZINC000386565980 993691109 /nfs/dbraw/zinc/69/11/09/993691109.db2.gz WKSWWKBYSYKOGB-NEPJUHHUSA-N 2 1 247.342 1.171 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC001577655034 993711906 /nfs/dbraw/zinc/71/19/06/993711906.db2.gz PFQWMDIEAPFORY-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccco2)C1 ZINC000389642735 993757983 /nfs/dbraw/zinc/75/79/83/993757983.db2.gz RGBPMVZWFGOYTQ-LLVKDONJSA-N 2 1 208.305 1.840 20 0 BDADMP CC[N@H+]1CC[C@@H](n2cncc2C2CC[NH2+]CC2)C1 ZINC000389667414 993760306 /nfs/dbraw/zinc/76/03/06/993760306.db2.gz UHQJQFIIPRBSCD-CYBMUJFWSA-N 3 1 248.374 1.617 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000393884613 994019239 /nfs/dbraw/zinc/01/92/39/994019239.db2.gz QGAWUSCKNKJIQU-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](C)CC1 ZINC000393884614 994019546 /nfs/dbraw/zinc/01/95/46/994019546.db2.gz QGAWUSCKNKJIQU-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H]1CC(C[N@@H+]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000724376626 994067478 /nfs/dbraw/zinc/06/74/78/994067478.db2.gz SIJRCKWWYQRYOQ-FOGDFJRCSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1CC(C[N@H+]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000724376626 994067490 /nfs/dbraw/zinc/06/74/90/994067490.db2.gz SIJRCKWWYQRYOQ-FOGDFJRCSA-N 2 1 212.337 1.223 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)o1 ZINC001332399444 994068126 /nfs/dbraw/zinc/06/81/26/994068126.db2.gz COXQLATXXKCNEU-QWRGUYRKSA-N 2 1 237.347 1.979 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCSC1 ZINC000822127075 994416558 /nfs/dbraw/zinc/41/65/58/994416558.db2.gz FFAKEAJWNZEFFH-VXGBXAGGSA-N 2 1 228.405 1.956 20 0 BDADMP Cc1cccnc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000161119577 538914401 /nfs/dbraw/zinc/91/44/01/538914401.db2.gz KRLPAWCYIBDJBV-VXGBXAGGSA-N 2 1 217.316 1.041 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)CCn1cccn1 ZINC000161790756 349498353 /nfs/dbraw/zinc/49/83/53/349498353.db2.gz VMCNACYIPNHTOB-ZDUSSCGKSA-N 2 1 236.363 1.299 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CCn1cccn1 ZINC000161790756 349498357 /nfs/dbraw/zinc/49/83/57/349498357.db2.gz VMCNACYIPNHTOB-ZDUSSCGKSA-N 2 1 236.363 1.299 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CCn1cccn1 ZINC000161790756 349498362 /nfs/dbraw/zinc/49/83/62/349498362.db2.gz VMCNACYIPNHTOB-ZDUSSCGKSA-N 2 1 236.363 1.299 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CCn1cccn1 ZINC000161790756 349498368 /nfs/dbraw/zinc/49/83/68/349498368.db2.gz VMCNACYIPNHTOB-ZDUSSCGKSA-N 2 1 236.363 1.299 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)CC(C)(C)[NH3+] ZINC000379826085 398169661 /nfs/dbraw/zinc/16/96/61/398169661.db2.gz WROVOHUBMLYZIO-UHFFFAOYSA-N 2 1 202.342 1.064 20 0 BDADMP COC[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000162152761 538921021 /nfs/dbraw/zinc/92/10/21/538921021.db2.gz CFLITSHLUZQPIS-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000162152761 538921023 /nfs/dbraw/zinc/92/10/23/538921023.db2.gz CFLITSHLUZQPIS-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP C[C@H](C[N@@H+](C)CCN1CC[NH2+]CC1)C(C)(C)C ZINC000379730268 398164153 /nfs/dbraw/zinc/16/41/53/398164153.db2.gz LYMBQUZCJKRIKX-CYBMUJFWSA-N 2 1 241.423 1.506 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2(C)CCC2)CCO1 ZINC000380099820 398185703 /nfs/dbraw/zinc/18/57/03/398185703.db2.gz PICHFMBUQJIORU-QWRGUYRKSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2(C)CCC2)CCO1 ZINC000380099820 398185708 /nfs/dbraw/zinc/18/57/08/398185708.db2.gz PICHFMBUQJIORU-QWRGUYRKSA-N 2 1 212.337 1.225 20 0 BDADMP C[NH+]1CCC([NH2+]CC2CCOCC2)CC1 ZINC000052172049 398190224 /nfs/dbraw/zinc/19/02/24/398190224.db2.gz FNMQNUODMKRSOP-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCOC1 ZINC000069720628 398213565 /nfs/dbraw/zinc/21/35/65/398213565.db2.gz BIPLKOCMJCGGSZ-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP Cc1cc(C)n(CC[N@H+](C)C2CC[NH2+]CC2)n1 ZINC000386736848 398218153 /nfs/dbraw/zinc/21/81/53/398218153.db2.gz CLIHMYIXVVVHDT-UHFFFAOYSA-N 2 1 236.363 1.184 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)C1 ZINC000576368567 365580285 /nfs/dbraw/zinc/58/02/85/365580285.db2.gz AZUFOLSIVXYRQC-NEPJUHHUSA-N 2 1 228.380 1.454 20 0 BDADMP Cc1cc(NCC2([NH3+])CCC2)nc(C)[nH+]1 ZINC000235866592 178156482 /nfs/dbraw/zinc/15/64/82/178156482.db2.gz HZOJCEUHBJCJBU-UHFFFAOYSA-N 2 1 206.293 1.387 20 0 BDADMP Cc1cc(NCC[N@@H+](C)C(C)C)nc(C)[nH+]1 ZINC000054128389 178159156 /nfs/dbraw/zinc/15/91/56/178159156.db2.gz CCSVZNPUBGQYRR-UHFFFAOYSA-N 2 1 222.336 1.846 20 0 BDADMP Cc1cc(NCC[N@H+](C)C(C)C)nc(C)[nH+]1 ZINC000054128389 178159158 /nfs/dbraw/zinc/15/91/58/178159158.db2.gz CCSVZNPUBGQYRR-UHFFFAOYSA-N 2 1 222.336 1.846 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cn[nH]c1 ZINC000649413594 398212108 /nfs/dbraw/zinc/21/21/08/398212108.db2.gz OCZCTJHDWIFVFO-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)nc1 ZINC000649411670 398212992 /nfs/dbraw/zinc/21/29/92/398212992.db2.gz PWIZTKUDHSGLQK-OCCSQVGLSA-N 2 1 231.343 1.828 20 0 BDADMP CCC(CC)C[N@@H+](C)C1CCN(CCO)CC1 ZINC000353362315 168347620 /nfs/dbraw/zinc/34/76/20/168347620.db2.gz YNWNNJZNUIJKDZ-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP CN(C)c1ccccc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430564359 398228037 /nfs/dbraw/zinc/22/80/37/398228037.db2.gz ZJAAUVHVXLTJJF-OAHLLOKOSA-N 2 1 247.386 1.970 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132974185 398232919 /nfs/dbraw/zinc/23/29/19/398232919.db2.gz LJEVZWOJDREIBG-MDZLAQPJSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000092629281 398235798 /nfs/dbraw/zinc/23/57/98/398235798.db2.gz BZFXQSKQESIMKI-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000576478936 365608107 /nfs/dbraw/zinc/60/81/07/365608107.db2.gz HRRNOARGODNPGL-WOPDTQHZSA-N 2 1 234.347 1.647 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000576584941 365631916 /nfs/dbraw/zinc/63/19/16/365631916.db2.gz PXOWKBNXOUOUHT-RWMBFGLXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000576584941 365631922 /nfs/dbraw/zinc/63/19/22/365631922.db2.gz PXOWKBNXOUOUHT-RWMBFGLXSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCCO1 ZINC000381289157 398249579 /nfs/dbraw/zinc/24/95/79/398249579.db2.gz CNMOEJMORWBWEK-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000384396821 398259272 /nfs/dbraw/zinc/25/92/72/398259272.db2.gz OMFBCNYQMIVTFS-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000069860911 398255018 /nfs/dbraw/zinc/25/50/18/398255018.db2.gz JZQYGPWZPNDXLV-GFCCVEGCSA-N 2 1 226.364 1.628 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378759076 346825999 /nfs/dbraw/zinc/82/59/99/346825999.db2.gz ZWSMWSBTKGUXOO-CYZMBNFOSA-N 2 1 219.332 1.741 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCOC1 ZINC000178704527 538953747 /nfs/dbraw/zinc/95/37/47/538953747.db2.gz IROORZDLJYHPTL-AAEUAGOBSA-N 2 1 237.347 1.596 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCOC1 ZINC000162169522 349583624 /nfs/dbraw/zinc/58/36/24/349583624.db2.gz XDQHLDHDYZSLRV-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000162169522 349583625 /nfs/dbraw/zinc/58/36/25/349583625.db2.gz XDQHLDHDYZSLRV-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000162169522 349583628 /nfs/dbraw/zinc/58/36/28/349583628.db2.gz XDQHLDHDYZSLRV-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP FC1(F)C[C@@]12CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000650514500 398276578 /nfs/dbraw/zinc/27/65/78/398276578.db2.gz MUKKHRNNPGJVRX-LLVKDONJSA-N 2 1 230.302 1.717 20 0 BDADMP C[C@H]([NH2+]CCCN(C)C)C1CC[NH+](C)CC1 ZINC000037210224 538961915 /nfs/dbraw/zinc/96/19/15/538961915.db2.gz HHDVTDLHVCISMQ-LBPRGKRZSA-N 2 1 227.396 1.258 20 0 BDADMP CN1CCC([N@@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000002639102 342726326 /nfs/dbraw/zinc/72/63/26/342726326.db2.gz QBTMRQOMPQNUFW-HNNXBMFYSA-N 2 1 248.370 1.746 20 0 BDADMP CN(C[C@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000002639102 342726328 /nfs/dbraw/zinc/72/63/28/342726328.db2.gz QBTMRQOMPQNUFW-HNNXBMFYSA-N 2 1 248.370 1.746 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000583937440 342728596 /nfs/dbraw/zinc/72/85/96/342728596.db2.gz NCVIGRJXTAOGCY-GRYCIOLGSA-N 2 1 241.379 1.103 20 0 BDADMP C1SCC1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000380269940 538987850 /nfs/dbraw/zinc/98/78/50/538987850.db2.gz VSBFQPLIFGOSEH-UHFFFAOYSA-N 2 1 226.389 1.708 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CC2)CC[N@@H+]1C ZINC000381787368 539006964 /nfs/dbraw/zinc/00/69/64/539006964.db2.gz ZEUKQFRVYAQVIR-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CC2)CC[N@H+]1C ZINC000381787368 539006965 /nfs/dbraw/zinc/00/69/65/539006965.db2.gz ZEUKQFRVYAQVIR-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000417881248 398295129 /nfs/dbraw/zinc/29/51/29/398295129.db2.gz QRISLLIRHJKSLC-GFCCVEGCSA-N 2 1 237.347 1.739 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000390616061 539026586 /nfs/dbraw/zinc/02/65/86/539026586.db2.gz GWWGQQJUPMKQHS-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000390616061 539026587 /nfs/dbraw/zinc/02/65/87/539026587.db2.gz GWWGQQJUPMKQHS-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000390616062 539026751 /nfs/dbraw/zinc/02/67/51/539026751.db2.gz GWWGQQJUPMKQHS-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000390616062 539026752 /nfs/dbraw/zinc/02/67/52/539026752.db2.gz GWWGQQJUPMKQHS-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000382156181 398308021 /nfs/dbraw/zinc/30/80/21/398308021.db2.gz RILCYBSFLDJYGJ-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000167203144 136244654 /nfs/dbraw/zinc/24/46/54/136244654.db2.gz YGLKODRVZILGKG-NWDGAFQWSA-N 2 1 243.395 1.206 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000036232717 342898653 /nfs/dbraw/zinc/89/86/53/342898653.db2.gz OTMXSLRGEFUZKU-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000036232717 342898655 /nfs/dbraw/zinc/89/86/55/342898655.db2.gz OTMXSLRGEFUZKU-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000035151310 342884229 /nfs/dbraw/zinc/88/42/29/342884229.db2.gz ANMMHNXUTBGNLP-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(O)c1 ZINC000401721600 342919222 /nfs/dbraw/zinc/91/92/22/342919222.db2.gz BCYNFOSOGWPBGQ-UHFFFAOYSA-N 2 1 231.299 1.458 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]CCC2CCOCC2)CC1 ZINC000392855869 398335689 /nfs/dbraw/zinc/33/56/89/398335689.db2.gz KGEPBXAKAXBMEK-UHFFFAOYSA-N 2 1 238.375 1.655 20 0 BDADMP FC(F)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000136579478 398342845 /nfs/dbraw/zinc/34/28/45/398342845.db2.gz GUHQMPBWBDWRRL-UHFFFAOYSA-N 2 1 241.285 1.905 20 0 BDADMP COc1cc(C)nc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000252791925 536691755 /nfs/dbraw/zinc/69/17/55/536691755.db2.gz URUAPNXGSJXXOU-RYUDHWBXSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)nc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000252791925 536691760 /nfs/dbraw/zinc/69/17/60/536691760.db2.gz URUAPNXGSJXXOU-RYUDHWBXSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000252791925 536691764 /nfs/dbraw/zinc/69/17/64/536691764.db2.gz URUAPNXGSJXXOU-RYUDHWBXSA-N 2 1 249.358 1.568 20 0 BDADMP CCc1ccccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313358676 259333870 /nfs/dbraw/zinc/33/38/70/259333870.db2.gz QXVGYXIVFJGDIX-OAHLLOKOSA-N 2 1 248.370 1.799 20 0 BDADMP CN1CCO[C@@H](CSC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000518183727 259338406 /nfs/dbraw/zinc/33/84/06/259338406.db2.gz LMADOBUQPMJMSO-VXGBXAGGSA-N 2 1 244.404 1.002 20 0 BDADMP C[N@@H+]1CC[C@@H](CSC[C@H]2C[NH+](C)CCO2)C1 ZINC000518183727 259338407 /nfs/dbraw/zinc/33/84/07/259338407.db2.gz LMADOBUQPMJMSO-VXGBXAGGSA-N 2 1 244.404 1.002 20 0 BDADMP C[N@H+]1CC[C@@H](CSC[C@H]2C[NH+](C)CCO2)C1 ZINC000518183727 259338408 /nfs/dbraw/zinc/33/84/08/259338408.db2.gz LMADOBUQPMJMSO-VXGBXAGGSA-N 2 1 244.404 1.002 20 0 BDADMP C[NH+]1CC[C@@H](CSC[C@H]2C[N@H+](C)CCO2)C1 ZINC000518183727 259338409 /nfs/dbraw/zinc/33/84/09/259338409.db2.gz LMADOBUQPMJMSO-VXGBXAGGSA-N 2 1 244.404 1.002 20 0 BDADMP C[NH+]1CC[C@@H](CSC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000518183727 259338410 /nfs/dbraw/zinc/33/84/10/259338410.db2.gz LMADOBUQPMJMSO-VXGBXAGGSA-N 2 1 244.404 1.002 20 0 BDADMP Cc1nc(N[C@H]2CCC[NH2+]C2)c(C)c(C)[nH+]1 ZINC000045955258 343012665 /nfs/dbraw/zinc/01/26/65/343012665.db2.gz HCIIJZKJOCWZRF-NSHDSACASA-N 2 1 220.320 1.566 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000309239528 259342078 /nfs/dbraw/zinc/34/20/78/259342078.db2.gz WHHHQSKQMZOMKZ-NWDGAFQWSA-N 3 1 222.336 1.051 20 0 BDADMP CCc1nc(NCCCC[NH3+])cc(C)[nH+]1 ZINC000308803904 346920822 /nfs/dbraw/zinc/92/08/22/346920822.db2.gz NLEOCRCAIJUDHG-UHFFFAOYSA-N 2 1 208.309 1.498 20 0 BDADMP C[N@@H+](CCc1ccccc1)C1CC[NH2+]CC1 ZINC000022012593 343035151 /nfs/dbraw/zinc/03/51/51/343035151.db2.gz VMBVZOWXRDYODM-UHFFFAOYSA-N 2 1 218.344 1.913 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650688 343061143 /nfs/dbraw/zinc/06/11/43/343061143.db2.gz RYXPTRKDQMQJQV-GFCCVEGCSA-N 2 1 237.347 1.462 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650688 343061144 /nfs/dbraw/zinc/06/11/44/343061144.db2.gz RYXPTRKDQMQJQV-GFCCVEGCSA-N 2 1 237.347 1.462 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224546139 259350179 /nfs/dbraw/zinc/35/01/79/259350179.db2.gz GIKJYUZLIXAAKB-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP NC[C@@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC000250836338 343124266 /nfs/dbraw/zinc/12/42/66/343124266.db2.gz KWTBHKXLHOWIHL-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400337856 529690747 /nfs/dbraw/zinc/69/07/47/529690747.db2.gz GNCBGPRXOGLXKM-YNEHKIRRSA-N 2 1 227.396 1.447 20 0 BDADMP COC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000130042521 343180390 /nfs/dbraw/zinc/18/03/90/343180390.db2.gz ZDQXCJIDXJWQDT-IYXRBSQSSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)O1 ZINC000634688280 343246345 /nfs/dbraw/zinc/24/63/45/343246345.db2.gz NSJZFQUIVPHELU-IGQOVBAYSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])O1 ZINC000634688160 343247592 /nfs/dbraw/zinc/24/75/92/343247592.db2.gz JRORNZVNPKAETQ-MROQNXINSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])O1 ZINC000634688160 343247593 /nfs/dbraw/zinc/24/75/93/343247593.db2.gz JRORNZVNPKAETQ-MROQNXINSA-N 2 1 226.364 1.613 20 0 BDADMP Cc1nccn1CCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000348744755 136296066 /nfs/dbraw/zinc/29/60/66/136296066.db2.gz CDFACTGCJYXMGI-UHFFFAOYSA-N 2 1 238.379 1.498 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000348757024 136297687 /nfs/dbraw/zinc/29/76/87/136297687.db2.gz SLPZSTJSJRYDPJ-YPMHNXCESA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000348757024 136297688 /nfs/dbraw/zinc/29/76/88/136297688.db2.gz SLPZSTJSJRYDPJ-YPMHNXCESA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000348757024 136297689 /nfs/dbraw/zinc/29/76/89/136297689.db2.gz SLPZSTJSJRYDPJ-YPMHNXCESA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000348754594 136297942 /nfs/dbraw/zinc/29/79/42/136297942.db2.gz BHKQZXLKXKTIQF-KGLIPLIRSA-N 2 1 248.374 1.408 20 0 BDADMP C[NH+]1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000035658147 343301643 /nfs/dbraw/zinc/30/16/43/343301643.db2.gz ITIHDZNOORHONB-UHFFFAOYSA-N 2 1 230.355 1.838 20 0 BDADMP c1cncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335631346 136300243 /nfs/dbraw/zinc/30/02/43/136300243.db2.gz AZCSCEKPRAGRGM-HUUCEWRRSA-N 2 1 245.370 1.903 20 0 BDADMP Cn1ccnc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635226 136300586 /nfs/dbraw/zinc/30/05/86/136300586.db2.gz SBROSVGWARVCTJ-STQMWFEESA-N 2 1 248.374 1.242 20 0 BDADMP CC(C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335642344 136309037 /nfs/dbraw/zinc/30/90/37/136309037.db2.gz HWUIMQQLJKQWEB-UHFFFAOYSA-N 2 1 225.380 1.201 20 0 BDADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252710004 536878351 /nfs/dbraw/zinc/87/83/51/536878351.db2.gz FKIYHWQJFINXCH-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239975 343399012 /nfs/dbraw/zinc/39/90/12/343399012.db2.gz ILDYMNICSUJSCU-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239975 343399014 /nfs/dbraw/zinc/39/90/14/343399014.db2.gz ILDYMNICSUJSCU-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239975 343399016 /nfs/dbraw/zinc/39/90/16/343399016.db2.gz ILDYMNICSUJSCU-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239975 343399018 /nfs/dbraw/zinc/39/90/18/343399018.db2.gz ILDYMNICSUJSCU-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310239975 343399019 /nfs/dbraw/zinc/39/90/19/343399019.db2.gz ILDYMNICSUJSCU-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CCOC1 ZINC000166301620 136343492 /nfs/dbraw/zinc/34/34/92/136343492.db2.gz GHOORAZAQHVHSO-RDBSUJKOSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)CC[C@@H]1CCOC1 ZINC000349382676 136344060 /nfs/dbraw/zinc/34/40/60/136344060.db2.gz KOFKXEYWIYNCAF-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP Cc1[nH]c(Cn2cc([C@H]([NH3+])C(C)C)nn2)[nH+]c1C ZINC000641156844 362242413 /nfs/dbraw/zinc/24/24/13/362242413.db2.gz WWLNUQNGTYHQMW-GFCCVEGCSA-N 2 1 248.334 1.322 20 0 BDADMP CO[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000167126381 136368270 /nfs/dbraw/zinc/36/82/70/136368270.db2.gz ZBHIFHPBGWIZFP-MXWKQRLJSA-N 2 1 200.326 1.094 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261542346 136374356 /nfs/dbraw/zinc/37/43/56/136374356.db2.gz GSWVJVZDUFGBSN-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP C[NH+]1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000044289984 343497310 /nfs/dbraw/zinc/49/73/10/343497310.db2.gz MSTWLRWCIYELES-UHFFFAOYSA-N 2 1 234.343 1.749 20 0 BDADMP CCOCCC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000083551604 343490233 /nfs/dbraw/zinc/49/02/33/343490233.db2.gz SIWHQOWDFHFOPO-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP CCOCCC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000083551604 343490235 /nfs/dbraw/zinc/49/02/35/343490235.db2.gz SIWHQOWDFHFOPO-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN(C)Cc1ccc(C)o1 ZINC000310535714 343527792 /nfs/dbraw/zinc/52/77/92/343527792.db2.gz PGBNKNDFJYJYSE-LBPRGKRZSA-N 2 1 240.347 1.332 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000310533195 343528017 /nfs/dbraw/zinc/52/80/17/343528017.db2.gz ONNNGKYBOGMUMO-XJFOESAGSA-N 2 1 242.407 1.713 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CO)C(C)C)CC1 ZINC000086120473 343610628 /nfs/dbraw/zinc/61/06/28/343610628.db2.gz VCFXJTRWMMBARV-LBPRGKRZSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)OCC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000087976749 343683089 /nfs/dbraw/zinc/68/30/89/343683089.db2.gz VATMOBVRGSQFIE-NSHDSACASA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)OCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000087976749 343683091 /nfs/dbraw/zinc/68/30/91/343683091.db2.gz VATMOBVRGSQFIE-NSHDSACASA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)OCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000087976749 343683093 /nfs/dbraw/zinc/68/30/93/343683093.db2.gz VATMOBVRGSQFIE-NSHDSACASA-N 2 1 200.326 1.081 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000309055976 346957212 /nfs/dbraw/zinc/95/72/12/346957212.db2.gz UKDGXTOYUHEIKS-JHJVBQTASA-N 2 1 210.365 1.964 20 0 BDADMP c1nc2c([nH]1)C[N@@H+](CCCc1ccncc1)CC2 ZINC000625436238 343733605 /nfs/dbraw/zinc/73/36/05/343733605.db2.gz GUOMZHJEXXRHMM-UHFFFAOYSA-N 2 1 242.326 1.796 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](C)(O)C1 ZINC000179253155 346978280 /nfs/dbraw/zinc/97/82/80/346978280.db2.gz TYMUDTRPFLVLEP-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](C)(O)C1 ZINC000179253155 346978284 /nfs/dbraw/zinc/97/82/84/346978284.db2.gz TYMUDTRPFLVLEP-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP C[C@H]1CSCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179249613 346978354 /nfs/dbraw/zinc/97/83/54/346978354.db2.gz URJKUOIPASQPNQ-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H]1CSCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179249613 346978356 /nfs/dbraw/zinc/97/83/56/346978356.db2.gz URJKUOIPASQPNQ-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H]1CSCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000179249613 346978359 /nfs/dbraw/zinc/97/83/59/346978359.db2.gz URJKUOIPASQPNQ-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H]1CSCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000179249613 346978360 /nfs/dbraw/zinc/97/83/60/346978360.db2.gz URJKUOIPASQPNQ-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CCC1CCOCC1 ZINC000336686392 537824192 /nfs/dbraw/zinc/82/41/92/537824192.db2.gz WGBCBRJMXWXZFR-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP CCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309203504 346991847 /nfs/dbraw/zinc/99/18/47/346991847.db2.gz RRDJVJNDLMTKPV-NWDGAFQWSA-N 2 1 214.353 1.221 20 0 BDADMP CCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309203504 346991849 /nfs/dbraw/zinc/99/18/49/346991849.db2.gz RRDJVJNDLMTKPV-NWDGAFQWSA-N 2 1 214.353 1.221 20 0 BDADMP CCC(C)(C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000634725325 343947044 /nfs/dbraw/zinc/94/70/44/343947044.db2.gz OQWXIOLMMGTLAI-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP CCC(C)(C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000634725325 343947046 /nfs/dbraw/zinc/94/70/46/343947046.db2.gz OQWXIOLMMGTLAI-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000634732760 344107716 /nfs/dbraw/zinc/10/77/16/344107716.db2.gz OHMRNOFZLNSXAX-CHWSQXEVSA-N 2 1 239.407 1.354 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000634733510 344113212 /nfs/dbraw/zinc/11/32/12/344113212.db2.gz HEIWQUCYOLASRA-AGIUHOORSA-N 2 1 239.407 1.624 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000634733767 344114009 /nfs/dbraw/zinc/11/40/09/344114009.db2.gz NIPOSKNKZUIKFE-QWHCGFSZSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC000634734137 344114650 /nfs/dbraw/zinc/11/46/50/344114650.db2.gz XXOKYEHPVJMEEP-GXTWGEPZSA-N 3 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC000622004227 344182101 /nfs/dbraw/zinc/18/21/01/344182101.db2.gz MCEAGRRZZKZLQH-YIYPIFLZSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)CC[NH2+]1 ZINC000622004227 344182102 /nfs/dbraw/zinc/18/21/02/344182102.db2.gz MCEAGRRZZKZLQH-YIYPIFLZSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3(N)C2)CC[NH2+]1 ZINC000622004227 344182103 /nfs/dbraw/zinc/18/21/03/344182103.db2.gz MCEAGRRZZKZLQH-YIYPIFLZSA-N 2 1 237.391 1.188 20 0 BDADMP CC(C)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570756357 323069501 /nfs/dbraw/zinc/06/95/01/323069501.db2.gz RFFOMNYKUOEYRL-UHFFFAOYSA-N 2 1 222.336 1.578 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCSC(C)(C)C1 ZINC000220376695 344254070 /nfs/dbraw/zinc/25/40/70/344254070.db2.gz WFCQHHRNBQNMOH-UHFFFAOYSA-N 2 1 202.367 1.551 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCSC(C)(C)C1 ZINC000220376695 344254071 /nfs/dbraw/zinc/25/40/71/344254071.db2.gz WFCQHHRNBQNMOH-UHFFFAOYSA-N 2 1 202.367 1.551 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000132204502 344283705 /nfs/dbraw/zinc/28/37/05/344283705.db2.gz YVELIKKHFCZEKX-GHMZBOCLSA-N 2 1 214.353 1.484 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000132241313 344289480 /nfs/dbraw/zinc/28/94/80/344289480.db2.gz ZOQDWSGIKGEULQ-UWVGGRQHSA-N 2 1 200.326 1.094 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000093216104 344312547 /nfs/dbraw/zinc/31/25/47/344312547.db2.gz XDLISCMFUQDNKA-QWHCGFSZSA-N 2 1 239.407 1.720 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000093216106 344312711 /nfs/dbraw/zinc/31/27/11/344312711.db2.gz XDLISCMFUQDNKA-STQMWFEESA-N 2 1 239.407 1.720 20 0 BDADMP COC[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133310765 344317450 /nfs/dbraw/zinc/31/74/50/344317450.db2.gz UEANTOOXDPLGQA-QWRGUYRKSA-N 2 1 202.342 1.327 20 0 BDADMP CCOCCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133310153 344317767 /nfs/dbraw/zinc/31/77/67/344317767.db2.gz GGXCYUGRCOAMET-LBPRGKRZSA-N 2 1 216.369 1.718 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000092630494 344300061 /nfs/dbraw/zinc/30/00/61/344300061.db2.gz BDVIEZKLGHDJCY-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CCC1CC[NH2+]CC1)C[C@H]1CCC[N@@H+]1C ZINC000092630494 344300062 /nfs/dbraw/zinc/30/00/62/344300062.db2.gz BDVIEZKLGHDJCY-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CCC1CC[NH2+]CC1)C[C@H]1CCC[N@H+]1C ZINC000092630494 344300064 /nfs/dbraw/zinc/30/00/64/344300064.db2.gz BDVIEZKLGHDJCY-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000132707831 344306738 /nfs/dbraw/zinc/30/67/38/344306738.db2.gz XWVWYXCDNRVOEB-UTUOFQBUSA-N 2 1 214.353 1.199 20 0 BDADMP COC[C@@H](C)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000584274225 344374503 /nfs/dbraw/zinc/37/45/03/344374503.db2.gz BLWZZDBIFYQCFU-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CC1(C)COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000042463146 344455799 /nfs/dbraw/zinc/45/57/99/344455799.db2.gz LMKOZUVTBMMRSU-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H](C1CC1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000381261230 344490994 /nfs/dbraw/zinc/49/09/94/344490994.db2.gz RWQZBJKRNISTHR-MFKMUULPSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@H](C1CC1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000381261230 344490997 /nfs/dbraw/zinc/49/09/97/344490997.db2.gz RWQZBJKRNISTHR-MFKMUULPSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@H](C1CC1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000381261230 344490999 /nfs/dbraw/zinc/49/09/99/344490999.db2.gz RWQZBJKRNISTHR-MFKMUULPSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@H](C1CC1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381261230 344491002 /nfs/dbraw/zinc/49/10/02/344491002.db2.gz RWQZBJKRNISTHR-MFKMUULPSA-N 2 1 226.364 1.172 20 0 BDADMP COc1ccsc1C[N@H+](C)CCC[NH3+] ZINC000381991746 347061247 /nfs/dbraw/zinc/06/12/47/347061247.db2.gz KLQNWTOBPUHORV-UHFFFAOYSA-N 2 1 214.334 1.537 20 0 BDADMP COc1ccsc1C[N@@H+](C)CCC[NH3+] ZINC000381991746 347061250 /nfs/dbraw/zinc/06/12/50/347061250.db2.gz KLQNWTOBPUHORV-UHFFFAOYSA-N 2 1 214.334 1.537 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000158337901 344603797 /nfs/dbraw/zinc/60/37/97/344603797.db2.gz QMCDIIZDEUICAB-CMPLNLGQSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000158337901 344603798 /nfs/dbraw/zinc/60/37/98/344603798.db2.gz QMCDIIZDEUICAB-CMPLNLGQSA-N 2 1 235.331 1.259 20 0 BDADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H](C)COC ZINC000310010813 259379033 /nfs/dbraw/zinc/37/90/33/259379033.db2.gz IODCGGZBWJKYOA-STQMWFEESA-N 2 1 230.396 1.979 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H](C)COC ZINC000310010813 259379035 /nfs/dbraw/zinc/37/90/35/259379035.db2.gz IODCGGZBWJKYOA-STQMWFEESA-N 2 1 230.396 1.979 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000083552510 133527155 /nfs/dbraw/zinc/52/71/55/133527155.db2.gz BSEVVZKOALXJSR-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000385027913 344799825 /nfs/dbraw/zinc/79/98/25/344799825.db2.gz JSUVIYMKACWBCN-ZNMIVQPWSA-N 2 1 245.370 1.949 20 0 BDADMP CC(C)n1nccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000394597880 259380638 /nfs/dbraw/zinc/38/06/38/259380638.db2.gz JJKCCAMLALJVQT-LBPRGKRZSA-N 2 1 238.379 1.751 20 0 BDADMP CN(C)CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000076686042 344805648 /nfs/dbraw/zinc/80/56/48/344805648.db2.gz JUXAFFHWITWLCS-UHFFFAOYSA-N 2 1 248.374 1.520 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(Cc3ncc[nH]3)CC[C@H]21 ZINC000247949336 344986244 /nfs/dbraw/zinc/98/62/44/344986244.db2.gz DWVKWFIAPVRZEM-VXGBXAGGSA-N 2 1 234.347 1.326 20 0 BDADMP CCC(CC)C[N@@H+]1CCO[C@H](CN(C)C)C1 ZINC000153881706 344991867 /nfs/dbraw/zinc/99/18/67/344991867.db2.gz PAPAGJHWBFZALO-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP CCC(CC)C[N@H+]1CCO[C@H](CN(C)C)C1 ZINC000153881706 344991870 /nfs/dbraw/zinc/99/18/70/344991870.db2.gz PAPAGJHWBFZALO-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000357925697 345062728 /nfs/dbraw/zinc/06/27/28/345062728.db2.gz CEAXPWKLOHKRTE-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000357925697 345062731 /nfs/dbraw/zinc/06/27/31/345062731.db2.gz CEAXPWKLOHKRTE-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156059157 345122660 /nfs/dbraw/zinc/12/26/60/345122660.db2.gz QNPCSHOMKHONFJ-BFHYXJOUSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000634994979 345183450 /nfs/dbraw/zinc/18/34/50/345183450.db2.gz RKKAVXOSEUVORA-MJBXVCDLSA-N 3 1 239.407 1.149 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccon1 ZINC000634959563 345133398 /nfs/dbraw/zinc/13/33/98/345133398.db2.gz VIAWAAXCKCCUPC-JTQLQIEISA-N 2 1 234.303 1.605 20 0 BDADMP CC[C@H]1C[C@@H](C)C[N@@H+]1CC12CC(C1)CN2 ZINC000634994077 345192708 /nfs/dbraw/zinc/19/27/08/345192708.db2.gz PTGZJMYIBNELDS-IGJPJIBNSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@H]1C[C@@H](C)C[N@H+]1CC12CC(C1)CN2 ZINC000634994077 345192712 /nfs/dbraw/zinc/19/27/12/345192712.db2.gz PTGZJMYIBNELDS-IGJPJIBNSA-N 2 1 208.349 1.859 20 0 BDADMP c1ccc2c(c1)C[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CN2 ZINC000634996762 345193492 /nfs/dbraw/zinc/19/34/92/345193492.db2.gz UNQRPSMVYFZSBC-QRJNDHJOSA-N 2 1 243.354 1.365 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000634998060 345197316 /nfs/dbraw/zinc/19/73/16/345197316.db2.gz ADALPRJDAZRMAM-ZYHUDNBSSA-N 2 1 207.321 1.052 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005777 345209969 /nfs/dbraw/zinc/20/99/69/345209969.db2.gz KHGFZKBPTMOFJZ-YUSALJHKSA-N 2 1 236.363 1.886 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007128 345211098 /nfs/dbraw/zinc/21/10/98/345211098.db2.gz ADTYDHRGEOJVPH-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007128 345211099 /nfs/dbraw/zinc/21/10/99/345211099.db2.gz ADTYDHRGEOJVPH-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP CCC(O)(CC)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000626111412 345273531 /nfs/dbraw/zinc/27/35/31/345273531.db2.gz NNARTVBXFZTAMJ-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CCC(O)(CC)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000626111412 345273533 /nfs/dbraw/zinc/27/35/33/345273533.db2.gz NNARTVBXFZTAMJ-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CCC(O)(CC)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000626111412 345273535 /nfs/dbraw/zinc/27/35/35/345273535.db2.gz NNARTVBXFZTAMJ-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H](C[NH2+]Cc1ccncc1N)C[NH+]1CCCC1 ZINC000641707177 362615670 /nfs/dbraw/zinc/61/56/70/362615670.db2.gz BQECTWCCJFRXLY-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP C[C@H](C[NH2+]Cc1ccncc1N)C[NH+]1CCCC1 ZINC000641707176 362615842 /nfs/dbraw/zinc/61/58/42/362615842.db2.gz BQECTWCCJFRXLY-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000215637781 345742680 /nfs/dbraw/zinc/74/26/80/345742680.db2.gz CCYVYGQSZQIONZ-CYBMUJFWSA-N 2 1 204.317 1.489 20 0 BDADMP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300394688 345813952 /nfs/dbraw/zinc/81/39/52/345813952.db2.gz VUIWIJJROVPWOP-GRYCIOLGSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@H]1C[C@H](NC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000307707843 345926349 /nfs/dbraw/zinc/92/63/49/345926349.db2.gz ZVLDAQXNAAUMPE-JSGCOSHPSA-N 2 1 245.370 1.211 20 0 BDADMP C[C@@H]1C[C@@H](NC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000307707845 345926810 /nfs/dbraw/zinc/92/68/10/345926810.db2.gz ZVLDAQXNAAUMPE-TZMCWYRMSA-N 2 1 245.370 1.211 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000307690101 345901272 /nfs/dbraw/zinc/90/12/72/345901272.db2.gz HOCOGQZPUSZKRD-ZJUUUORDSA-N 2 1 200.301 1.548 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000381470812 346002865 /nfs/dbraw/zinc/00/28/65/346002865.db2.gz MNWRYBNTBXWADJ-RWMBFGLXSA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000381470812 346002868 /nfs/dbraw/zinc/00/28/68/346002868.db2.gz MNWRYBNTBXWADJ-RWMBFGLXSA-N 2 1 227.396 1.255 20 0 BDADMP Cc1ncsc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000149805631 346158483 /nfs/dbraw/zinc/15/84/83/346158483.db2.gz KQADGXLNWKGNJZ-UHFFFAOYSA-N 2 1 241.360 1.049 20 0 BDADMP CC(C)(C)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000236617652 346261097 /nfs/dbraw/zinc/26/10/97/346261097.db2.gz DHUHYWJUGQZLQE-ZDUSSCGKSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901337 346255095 /nfs/dbraw/zinc/25/50/95/346255095.db2.gz QVDOGJPTCIERHN-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP Cn1cncc1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641797971 362738181 /nfs/dbraw/zinc/73/81/81/362738181.db2.gz BCBQHSBRVPVGEZ-CQSZACIVSA-N 2 1 248.374 1.038 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000641799799 362750100 /nfs/dbraw/zinc/75/01/00/362750100.db2.gz ZSBKUCLCULMGHW-GXSJLCMTSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000641799799 362750105 /nfs/dbraw/zinc/75/01/05/362750105.db2.gz ZSBKUCLCULMGHW-GXSJLCMTSA-N 2 1 237.347 1.715 20 0 BDADMP C[C@@H]1CCCN(CCc2c[nH+]cn2C)[C@H]1C[NH3+] ZINC000641797017 362741652 /nfs/dbraw/zinc/74/16/52/362741652.db2.gz PRTKKHPKGJFMNX-YPMHNXCESA-N 2 1 236.363 1.022 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOCC2CC2)[C@@H]1C ZINC000641808329 362763585 /nfs/dbraw/zinc/76/35/85/362763585.db2.gz MWBKRLTYFDWYHG-BZPMIXESSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOCC2CC2)[C@@H]1C ZINC000641808329 362763590 /nfs/dbraw/zinc/76/35/90/362763590.db2.gz MWBKRLTYFDWYHG-BZPMIXESSA-N 2 1 240.391 1.861 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801709 362756820 /nfs/dbraw/zinc/75/68/20/362756820.db2.gz FBNYFUNSDSZTMF-NEPJUHHUSA-N 2 1 237.347 1.761 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)S1 ZINC000069908561 349967907 /nfs/dbraw/zinc/96/79/07/349967907.db2.gz IQBNLJRJNPAIIW-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)nc(C)n1 ZINC000641802224 362758573 /nfs/dbraw/zinc/75/85/73/362758573.db2.gz ZSKJIEKBGHHHNJ-RYUDHWBXSA-N 2 1 234.347 1.309 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000162513955 346525058 /nfs/dbraw/zinc/52/50/58/346525058.db2.gz IAUOFBXJOSMTKF-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000162513955 346525064 /nfs/dbraw/zinc/52/50/64/346525064.db2.gz IAUOFBXJOSMTKF-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622005081 370655623 /nfs/dbraw/zinc/65/56/23/370655623.db2.gz YIMYEPSBENNWBS-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP CC[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000309664257 347130941 /nfs/dbraw/zinc/13/09/41/347130941.db2.gz SOMWBKSAYYXFIE-YPMHNXCESA-N 2 1 225.380 1.010 20 0 BDADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)on1 ZINC000631158546 347288735 /nfs/dbraw/zinc/28/87/35/347288735.db2.gz WIDCBPCRJNFIHO-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000250764217 362819821 /nfs/dbraw/zinc/81/98/21/362819821.db2.gz RZYKXPUNUNYHDL-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)CC[N@H+]1C ZINC000382578462 347366803 /nfs/dbraw/zinc/36/68/03/347366803.db2.gz IMPIUHCNOMYUFQ-YPMHNXCESA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC000250806198 362822415 /nfs/dbraw/zinc/82/24/15/362822415.db2.gz CODWDSUDFZCFFS-CHWSQXEVSA-N 2 1 226.364 1.759 20 0 BDADMP Cc1ccccc1CCC[N@H+](C)CC[NH3+] ZINC000077299986 179262229 /nfs/dbraw/zinc/26/22/29/179262229.db2.gz BZWBMOXWTSDTCW-UHFFFAOYSA-N 2 1 206.333 1.818 20 0 BDADMP Cc1ccccc1CCC[N@@H+](C)CC[NH3+] ZINC000077299986 179262231 /nfs/dbraw/zinc/26/22/31/179262231.db2.gz BZWBMOXWTSDTCW-UHFFFAOYSA-N 2 1 206.333 1.818 20 0 BDADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414945608 323152196 /nfs/dbraw/zinc/15/21/96/323152196.db2.gz QSAYXGUNVKUDRT-RYUDHWBXSA-N 2 1 236.359 1.953 20 0 BDADMP Cc1ccccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313385183 179274856 /nfs/dbraw/zinc/27/48/56/179274856.db2.gz KISOJXTZYHJNFR-CQSZACIVSA-N 2 1 234.343 1.545 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC(=O)OC(C)C)CC[C@H]1[NH3+] ZINC000592488987 347787024 /nfs/dbraw/zinc/78/70/24/347787024.db2.gz OOVPSCYXLQZYFI-VXGBXAGGSA-N 2 1 242.363 1.387 20 0 BDADMP c1cnn([C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000368282181 187384799 /nfs/dbraw/zinc/38/47/99/187384799.db2.gz QPLFTMHVIONZOX-AWEZNQCLSA-N 2 1 248.374 1.616 20 0 BDADMP c1cnn([C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000368282181 187384801 /nfs/dbraw/zinc/38/48/01/187384801.db2.gz QPLFTMHVIONZOX-AWEZNQCLSA-N 2 1 248.374 1.616 20 0 BDADMP CCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301998 187385656 /nfs/dbraw/zinc/38/56/56/187385656.db2.gz XGVPZUJKJLHMQC-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CSCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594490838 348062510 /nfs/dbraw/zinc/06/25/10/348062510.db2.gz SFXNNOKKQRANPN-LBPRGKRZSA-N 2 1 244.404 1.192 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000133763605 179376774 /nfs/dbraw/zinc/37/67/74/179376774.db2.gz WVFWVIQIYMTGAQ-ZDUSSCGKSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000133763605 179376776 /nfs/dbraw/zinc/37/67/76/179376776.db2.gz WVFWVIQIYMTGAQ-ZDUSSCGKSA-N 2 1 233.359 1.774 20 0 BDADMP CCOC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595908454 348398178 /nfs/dbraw/zinc/39/81/78/348398178.db2.gz IKCSJQNCIOPKFH-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CO1 ZINC000401902841 348651172 /nfs/dbraw/zinc/65/11/72/348651172.db2.gz RQQILLBKMLSJNJ-USZNOCQGSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CO1 ZINC000401902841 348651173 /nfs/dbraw/zinc/65/11/73/348651173.db2.gz RQQILLBKMLSJNJ-USZNOCQGSA-N 2 1 212.337 1.094 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000308797471 348643070 /nfs/dbraw/zinc/64/30/70/348643070.db2.gz CTZXBZPYMQQOLY-GHMZBOCLSA-N 2 1 216.369 1.323 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H](C[NH3+])C1 ZINC000420164564 192166958 /nfs/dbraw/zinc/16/69/58/192166958.db2.gz FRFFTPFQJJTLQO-SNVBAGLBSA-N 2 1 249.314 1.043 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623507566 362931573 /nfs/dbraw/zinc/93/15/73/362931573.db2.gz QPTDUJDPJINFLC-AGIUHOORSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829943 362931772 /nfs/dbraw/zinc/93/17/72/362931772.db2.gz NJKWUPZMLQTWIG-LPWJVIDDSA-N 2 1 226.364 1.756 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829943 362931773 /nfs/dbraw/zinc/93/17/73/362931773.db2.gz NJKWUPZMLQTWIG-LPWJVIDDSA-N 2 1 226.364 1.756 20 0 BDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000309043894 323205432 /nfs/dbraw/zinc/20/54/32/323205432.db2.gz NBYMTQJZXNGMJN-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000309043894 323205433 /nfs/dbraw/zinc/20/54/33/323205433.db2.gz NBYMTQJZXNGMJN-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP COC(=O)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000599265620 349135406 /nfs/dbraw/zinc/13/54/06/349135406.db2.gz HAKXCXPUFNEIGR-UHFFFAOYSA-N 2 1 242.363 1.356 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000251046488 538032882 /nfs/dbraw/zinc/03/28/82/538032882.db2.gz MXMPHEBCPCSQRV-SRVKXCTJSA-N 2 1 226.364 1.362 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250225095 349168536 /nfs/dbraw/zinc/16/85/36/349168536.db2.gz FIERLNXUEIDLDO-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1 ZINC000383641613 349228763 /nfs/dbraw/zinc/22/87/63/349228763.db2.gz ZXUITKBGTRERJP-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000383641613 349228765 /nfs/dbraw/zinc/22/87/65/349228765.db2.gz ZXUITKBGTRERJP-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000383641613 349228768 /nfs/dbraw/zinc/22/87/68/349228768.db2.gz ZXUITKBGTRERJP-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCO1 ZINC000530214220 323216360 /nfs/dbraw/zinc/21/63/60/323216360.db2.gz CIZOASOKBFYWAU-SDDRHHMPSA-N 2 1 224.348 1.428 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000252107204 349195966 /nfs/dbraw/zinc/19/59/66/349195966.db2.gz JBNHFINFLAHDBS-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCCC1 ZINC000309049375 349406241 /nfs/dbraw/zinc/40/62/41/349406241.db2.gz OPGWMOJSCANITA-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCCC1 ZINC000309049375 349406244 /nfs/dbraw/zinc/40/62/44/349406244.db2.gz OPGWMOJSCANITA-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC=CCC1)C1CC1 ZINC000380977838 350073900 /nfs/dbraw/zinc/07/39/00/350073900.db2.gz BVYZQXXBAKPIIY-AAEUAGOBSA-N 2 1 224.348 1.140 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC=CCC1)C1CC1 ZINC000380977838 350073903 /nfs/dbraw/zinc/07/39/03/350073903.db2.gz BVYZQXXBAKPIIY-AAEUAGOBSA-N 2 1 224.348 1.140 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000131517283 191014314 /nfs/dbraw/zinc/01/43/14/191014314.db2.gz FUCIQGHWWGRXRT-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)ccn1 ZINC000623529981 362949666 /nfs/dbraw/zinc/94/96/66/362949666.db2.gz IAZNLORDCFOQNJ-LLVKDONJSA-N 2 1 221.348 1.677 20 0 BDADMP C[C@@H]1C[C@H](NCCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000132005216 191022171 /nfs/dbraw/zinc/02/21/71/191022171.db2.gz JKVYEHQRRVTDML-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000062862654 180152993 /nfs/dbraw/zinc/15/29/93/180152993.db2.gz BXVNPIGROPXWPX-LBPRGKRZSA-N 2 1 239.388 1.931 20 0 BDADMP Cc1ncc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000339287669 180157677 /nfs/dbraw/zinc/15/76/77/180157677.db2.gz XXWIDDNYIHWNKU-UONOGXRCSA-N 2 1 246.358 1.501 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1C ZINC000309224251 350212919 /nfs/dbraw/zinc/21/29/19/350212919.db2.gz HHHAUFZVXHIHOV-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1C ZINC000309224251 350212922 /nfs/dbraw/zinc/21/29/22/350212922.db2.gz HHHAUFZVXHIHOV-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000309224251 350212926 /nfs/dbraw/zinc/21/29/26/350212926.db2.gz HHHAUFZVXHIHOV-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000309224251 350212928 /nfs/dbraw/zinc/21/29/28/350212928.db2.gz HHHAUFZVXHIHOV-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP Cc1ncccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000336233496 180218274 /nfs/dbraw/zinc/21/82/74/180218274.db2.gz SZVFHNMUTGWGJP-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP Cc1ncccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000336233496 180218276 /nfs/dbraw/zinc/21/82/76/180218276.db2.gz SZVFHNMUTGWGJP-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CO)C1 ZINC000305612005 180232241 /nfs/dbraw/zinc/23/22/41/180232241.db2.gz AAEUKUPOYADGMI-ZDUSSCGKSA-N 2 1 237.347 1.286 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CO)C1 ZINC000305612005 180232242 /nfs/dbraw/zinc/23/22/42/180232242.db2.gz AAEUKUPOYADGMI-ZDUSSCGKSA-N 2 1 237.347 1.286 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnn1C ZINC000091073639 180237258 /nfs/dbraw/zinc/23/72/58/180237258.db2.gz BGPVMKWUXWKSRM-UHFFFAOYSA-N 2 1 247.346 1.447 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnn1C ZINC000091073639 180237260 /nfs/dbraw/zinc/23/72/60/180237260.db2.gz BGPVMKWUXWKSRM-UHFFFAOYSA-N 2 1 247.346 1.447 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1C[C@H]1C ZINC000309117031 180245717 /nfs/dbraw/zinc/24/57/17/180245717.db2.gz LYACHKFHCDYIBA-ZYHUDNBSSA-N 2 1 207.321 1.827 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H](C)CO ZINC000273959327 180245973 /nfs/dbraw/zinc/24/59/73/180245973.db2.gz GFXLMWBQQNBXQP-QWRGUYRKSA-N 2 1 225.336 1.188 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1CC1 ZINC000309153151 180247227 /nfs/dbraw/zinc/24/72/27/180247227.db2.gz WUMARZKACDJSFA-SNVBAGLBSA-N 2 1 207.321 1.970 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnccn1 ZINC000268883265 180247878 /nfs/dbraw/zinc/24/78/78/180247878.db2.gz SFDMIRFCFJCKOA-LLVKDONJSA-N 2 1 245.330 1.722 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000336686457 180251339 /nfs/dbraw/zinc/25/13/39/180251339.db2.gz ANFUHWSZZGQWNQ-ZDUSSCGKSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000336686457 180251340 /nfs/dbraw/zinc/25/13/40/180251340.db2.gz ANFUHWSZZGQWNQ-ZDUSSCGKSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000336712377 180256030 /nfs/dbraw/zinc/25/60/30/180256030.db2.gz OIOUZLFAJOUIHL-ZIAGYGMSSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000336712377 180256032 /nfs/dbraw/zinc/25/60/32/180256032.db2.gz OIOUZLFAJOUIHL-ZIAGYGMSSA-N 2 1 249.358 1.550 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCCC1 ZINC000309275205 350252219 /nfs/dbraw/zinc/25/22/19/350252219.db2.gz RXALDGRPKUPATA-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@H](C)C1 ZINC000360604178 180241163 /nfs/dbraw/zinc/24/11/63/180241163.db2.gz JJDVZNAYXHPZKB-GFCCVEGCSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@H](C)C1 ZINC000360604178 180241166 /nfs/dbraw/zinc/24/11/66/180241166.db2.gz JJDVZNAYXHPZKB-GFCCVEGCSA-N 2 1 237.347 1.550 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)CC[NH+](C)C ZINC000422776812 192463319 /nfs/dbraw/zinc/46/33/19/192463319.db2.gz DNSJMXKAYJZDHF-GARJFASQSA-N 3 1 201.358 1.042 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(O)CC1 ZINC000285933596 180260787 /nfs/dbraw/zinc/26/07/87/180260787.db2.gz FJVJUHZCABESMK-UHFFFAOYSA-N 2 1 223.320 1.085 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccn(C)c1 ZINC000270594101 180267165 /nfs/dbraw/zinc/26/71/65/180267165.db2.gz DENXNZWGVYBVDK-GFCCVEGCSA-N 2 1 246.358 1.956 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000224098743 350308656 /nfs/dbraw/zinc/30/86/56/350308656.db2.gz IAEXQGAHTXVWEK-RWMBFGLXSA-N 2 1 228.380 1.323 20 0 BDADMP Cc1ncsc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000082633142 180314056 /nfs/dbraw/zinc/31/40/56/180314056.db2.gz NXXHNRUZWOJDPA-UHFFFAOYSA-N 2 1 239.388 1.883 20 0 BDADMP Cc1ncsc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126754147 180317848 /nfs/dbraw/zinc/31/78/48/180317848.db2.gz ZGBKOQSKFZYPSI-WCBMZHEXSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000228328354 191101928 /nfs/dbraw/zinc/10/19/28/191101928.db2.gz PGVGNZWAQOFGLU-JQWIXIFHSA-N 2 1 236.363 1.288 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126926653 180337698 /nfs/dbraw/zinc/33/76/98/180337698.db2.gz KCICMBJTOVTUGS-SKDRFNHKSA-N 2 1 236.363 1.206 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000110902389 180339673 /nfs/dbraw/zinc/33/96/73/180339673.db2.gz DGIIVZMKFZMVFO-UHFFFAOYSA-N 2 1 247.346 1.332 20 0 BDADMP FCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128109322 490572098 /nfs/dbraw/zinc/57/20/98/490572098.db2.gz SICZQRYUZCWIGT-GHMZBOCLSA-N 2 1 200.301 1.562 20 0 BDADMP C[NH+](C)C1(C[NH2+]CC2(C)COC2)CCCCC1 ZINC000227517399 350498796 /nfs/dbraw/zinc/49/87/96/350498796.db2.gz SPLKNVKAWXCZMW-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000306015607 350528678 /nfs/dbraw/zinc/52/86/78/350528678.db2.gz RXDVHBTUXLEJQY-LBPRGKRZSA-N 2 1 249.358 1.568 20 0 BDADMP COCCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000062031639 350537172 /nfs/dbraw/zinc/53/71/72/350537172.db2.gz NEQDKEDJOYSCHY-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP CC(C)SCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400655322 362963403 /nfs/dbraw/zinc/96/34/03/362963403.db2.gz QQHSSVQFMCTHLR-QWRGUYRKSA-N 2 1 216.394 1.858 20 0 BDADMP CCC(CC)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309476169 350563967 /nfs/dbraw/zinc/56/39/67/350563967.db2.gz UZJCTKAJCNGMFC-ZDUSSCGKSA-N 2 1 228.380 1.467 20 0 BDADMP CCC(CC)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309476169 350563970 /nfs/dbraw/zinc/56/39/70/350563970.db2.gz UZJCTKAJCNGMFC-ZDUSSCGKSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000563270979 350746982 /nfs/dbraw/zinc/74/69/82/350746982.db2.gz ICHKUDKEISINAV-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000563270980 350747059 /nfs/dbraw/zinc/74/70/59/350747059.db2.gz ICHKUDKEISINAV-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)C2CC([NH3+])C2)c1 ZINC000385152534 350775448 /nfs/dbraw/zinc/77/54/48/350775448.db2.gz KGXFCNSZZITQSQ-UHFFFAOYSA-N 2 1 235.331 1.320 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)C2CCC2)CC1(C)C ZINC000623563428 362987898 /nfs/dbraw/zinc/98/78/98/362987898.db2.gz XZCJUMBOPHDCLZ-QWHCGFSZSA-N 2 1 240.391 1.610 20 0 BDADMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261976828 535157474 /nfs/dbraw/zinc/15/74/74/535157474.db2.gz RDGIDUNLVUMRFF-YNEHKIRRSA-N 2 1 238.375 1.533 20 0 BDADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000404897706 363071567 /nfs/dbraw/zinc/07/15/67/363071567.db2.gz HMPINXKTNGHOOV-HIFRSBDPSA-N 2 1 247.386 1.862 20 0 BDADMP CC[N@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000274344938 351567401 /nfs/dbraw/zinc/56/74/01/351567401.db2.gz JEHRRVIBNGDRCB-UHFFFAOYSA-N 2 1 219.332 1.922 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177837648 366067369 /nfs/dbraw/zinc/06/73/69/366067369.db2.gz HQDFXUUXCBIYGB-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000177837648 366067376 /nfs/dbraw/zinc/06/73/76/366067376.db2.gz HQDFXUUXCBIYGB-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177837648 366067378 /nfs/dbraw/zinc/06/73/78/366067378.db2.gz HQDFXUUXCBIYGB-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)CC1CCOCC1 ZINC000414791152 351772932 /nfs/dbraw/zinc/77/29/32/351772932.db2.gz AZLFGFYGXZOVJF-BXUZGUMPSA-N 2 1 240.391 1.766 20 0 BDADMP CC[C@@H](C[NH2+]C[C@@H](OC)C1CC1)[NH+]1CCCC1 ZINC000638354901 352169382 /nfs/dbraw/zinc/16/93/82/352169382.db2.gz XVEXITDOYPQQHE-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP COc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414900238 352176122 /nfs/dbraw/zinc/17/61/22/352176122.db2.gz VUXYJUAXLDKZQP-CYBMUJFWSA-N 2 1 220.316 1.522 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638368351 352179472 /nfs/dbraw/zinc/17/94/72/352179472.db2.gz JKHZMEBOGVEXQR-MNOVXSKESA-N 2 1 243.395 1.206 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC2(O)CCC2)C1 ZINC000411116128 191159673 /nfs/dbraw/zinc/15/96/73/191159673.db2.gz NRAWTRDMZGIOMJ-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+](CCC1(O)CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000411116607 191161934 /nfs/dbraw/zinc/16/19/34/191161934.db2.gz ZOPLXYCMGXUZFT-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](CCC1(O)CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000411116607 191161937 /nfs/dbraw/zinc/16/19/37/191161937.db2.gz ZOPLXYCMGXUZFT-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](CCC1(O)CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000411116607 191161940 /nfs/dbraw/zinc/16/19/40/191161940.db2.gz ZOPLXYCMGXUZFT-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@@H+](CCC1(O)CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000411116608 191162319 /nfs/dbraw/zinc/16/23/19/191162319.db2.gz ZOPLXYCMGXUZFT-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](CCC1(O)CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000411116608 191162322 /nfs/dbraw/zinc/16/23/22/191162322.db2.gz ZOPLXYCMGXUZFT-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](CCC1(O)CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000411116608 191162325 /nfs/dbraw/zinc/16/23/25/191162325.db2.gz ZOPLXYCMGXUZFT-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH2+]CC ZINC000638439448 352248906 /nfs/dbraw/zinc/24/89/06/352248906.db2.gz STJOHYQBQGBRQE-NSHDSACASA-N 2 1 243.395 1.221 20 0 BDADMP CCC([NH3+])(CC)CNc1nc(C)[nH+]c(C)c1C ZINC000420204041 192175469 /nfs/dbraw/zinc/17/54/69/192175469.db2.gz RWVHCIRLIIWQCU-UHFFFAOYSA-N 2 1 236.363 1.753 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043427977 352637588 /nfs/dbraw/zinc/63/75/88/352637588.db2.gz NSKJYGFQPCMRSK-QWHCGFSZSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000336746152 352736680 /nfs/dbraw/zinc/73/66/80/352736680.db2.gz RBZLZAAZDBDVEM-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334209148 352805231 /nfs/dbraw/zinc/80/52/31/352805231.db2.gz MPRBUBASFJETPY-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP Cc1nccc(N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000608084978 352838126 /nfs/dbraw/zinc/83/81/26/352838126.db2.gz JSAMYTORGKJYQB-LBPRGKRZSA-N 2 1 232.331 1.681 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334270935 352907669 /nfs/dbraw/zinc/90/76/69/352907669.db2.gz GFLGTORCKJUTRT-ZIAGYGMSSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000307690099 353093754 /nfs/dbraw/zinc/09/37/54/353093754.db2.gz HOCOGQZPUSZKRD-UWVGGRQHSA-N 2 1 200.301 1.548 20 0 BDADMP COCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000129466260 353133718 /nfs/dbraw/zinc/13/37/18/353133718.db2.gz AWEXKCBQOGFCCM-UHFFFAOYSA-N 2 1 248.370 1.887 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000357066936 188065628 /nfs/dbraw/zinc/06/56/28/188065628.db2.gz DBPSKAUOELSBQL-RYUDHWBXSA-N 2 1 244.404 1.322 20 0 BDADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000361414746 188070148 /nfs/dbraw/zinc/07/01/48/188070148.db2.gz LPXFHXUHBTXAAZ-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000361414746 188070149 /nfs/dbraw/zinc/07/01/49/188070149.db2.gz LPXFHXUHBTXAAZ-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000361414746 188070150 /nfs/dbraw/zinc/07/01/50/188070150.db2.gz LPXFHXUHBTXAAZ-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP C(C1CC1)[N@H+]1C[C@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361303305 188070840 /nfs/dbraw/zinc/07/08/40/188070840.db2.gz HSSLLSURFGAWNQ-BFHYXJOUSA-N 2 1 220.360 1.813 20 0 BDADMP C(C1CC1)[NH+]1C[C@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361303305 188070841 /nfs/dbraw/zinc/07/08/41/188070841.db2.gz HSSLLSURFGAWNQ-BFHYXJOUSA-N 2 1 220.360 1.813 20 0 BDADMP C(C1CC1)[NH+]1C[C@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361303305 188070843 /nfs/dbraw/zinc/07/08/43/188070843.db2.gz HSSLLSURFGAWNQ-BFHYXJOUSA-N 2 1 220.360 1.813 20 0 BDADMP Cc1cccc(NC2CC[NH+](C[C@H](C)O)CC2)[nH+]1 ZINC000369389206 188074463 /nfs/dbraw/zinc/07/44/63/188074463.db2.gz MLVFYZQWQGFQAR-LBPRGKRZSA-N 2 1 249.358 1.647 20 0 BDADMP CC(C)[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC000305679722 188078104 /nfs/dbraw/zinc/07/81/04/188078104.db2.gz NCZZCWDSTCEEKL-STQMWFEESA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000305679722 188078107 /nfs/dbraw/zinc/07/81/07/188078107.db2.gz NCZZCWDSTCEEKL-STQMWFEESA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000305679722 188078108 /nfs/dbraw/zinc/07/81/08/188078108.db2.gz NCZZCWDSTCEEKL-STQMWFEESA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305364952 188078189 /nfs/dbraw/zinc/07/81/89/188078189.db2.gz VIAFMHJURWQIBJ-MGPQQGTHSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[N@@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000235581432 188082114 /nfs/dbraw/zinc/08/21/14/188082114.db2.gz MDDPSAHYGHVDCA-NSHDSACASA-N 2 1 213.369 1.010 20 0 BDADMP Cc1ccncc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000335478424 188083457 /nfs/dbraw/zinc/08/34/57/188083457.db2.gz OIADIXMYEKQYIH-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP Cc1ccncc1C[N@H+](C)C1CC([NH3+])C1 ZINC000335478424 188083458 /nfs/dbraw/zinc/08/34/58/188083458.db2.gz OIADIXMYEKQYIH-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1C[NH3+] ZINC000022216643 188109588 /nfs/dbraw/zinc/10/95/88/188109588.db2.gz HBKCDOKFTYKDCL-UHFFFAOYSA-N 2 1 235.331 1.424 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000044535257 188123610 /nfs/dbraw/zinc/12/36/10/188123610.db2.gz HMMTZGYPJXYZQA-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000044535257 188123612 /nfs/dbraw/zinc/12/36/12/188123612.db2.gz HMMTZGYPJXYZQA-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000309267332 188166761 /nfs/dbraw/zinc/16/67/61/188166761.db2.gz RIHWXCODHACHMC-UPJWGTAASA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000309267332 188166762 /nfs/dbraw/zinc/16/67/62/188166762.db2.gz RIHWXCODHACHMC-UPJWGTAASA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309440212 188168231 /nfs/dbraw/zinc/16/82/31/188168231.db2.gz NWFYFJOWWDRVIW-WCQYABFASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309440212 188168233 /nfs/dbraw/zinc/16/82/33/188168233.db2.gz NWFYFJOWWDRVIW-WCQYABFASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309440212 188168234 /nfs/dbraw/zinc/16/82/34/188168234.db2.gz NWFYFJOWWDRVIW-WCQYABFASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309440212 188168236 /nfs/dbraw/zinc/16/82/36/188168236.db2.gz NWFYFJOWWDRVIW-WCQYABFASA-N 2 1 228.380 1.418 20 0 BDADMP CC[N@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000054128055 188176642 /nfs/dbraw/zinc/17/66/42/188176642.db2.gz NVTFCWYCIRANCE-UHFFFAOYSA-N 2 1 208.309 1.457 20 0 BDADMP CC[N@@H+](C)CCNc1cc(C)[nH+]c(C)n1 ZINC000054128055 188176643 /nfs/dbraw/zinc/17/66/43/188176643.db2.gz NVTFCWYCIRANCE-UHFFFAOYSA-N 2 1 208.309 1.457 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336715664 188182974 /nfs/dbraw/zinc/18/29/74/188182974.db2.gz SSJYVZJSKLBXBR-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC1(C)COC1 ZINC000336698571 188183179 /nfs/dbraw/zinc/18/31/79/188183179.db2.gz JKRBOTHAUYWBTA-GFCCVEGCSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC1(C)COC1 ZINC000336698571 188183180 /nfs/dbraw/zinc/18/31/80/188183180.db2.gz JKRBOTHAUYWBTA-GFCCVEGCSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC1(C)COC1 ZINC000336698571 188183182 /nfs/dbraw/zinc/18/31/82/188183182.db2.gz JKRBOTHAUYWBTA-GFCCVEGCSA-N 2 1 226.364 1.297 20 0 BDADMP C=Cn1cc(C[NH2+]CCCn2cc[nH+]c2C)cn1 ZINC000337951474 188187137 /nfs/dbraw/zinc/18/71/37/188187137.db2.gz PYVJIYNDCMXYCE-UHFFFAOYSA-N 2 1 245.330 1.668 20 0 BDADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[NH3+] ZINC000037712433 358476696 /nfs/dbraw/zinc/47/66/96/358476696.db2.gz ZRZMUMGSNMDLPQ-JTQLQIEISA-N 2 1 236.315 1.285 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000251830973 353292892 /nfs/dbraw/zinc/29/28/92/353292892.db2.gz PNZCRCNGURWMQT-GXFFZTMASA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000251830973 353292894 /nfs/dbraw/zinc/29/28/94/353292894.db2.gz PNZCRCNGURWMQT-GXFFZTMASA-N 2 1 222.307 1.995 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000252571900 353299990 /nfs/dbraw/zinc/29/99/90/353299990.db2.gz BZFXQSKQESIMKI-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CN(C[C@@H]1CCC[N@H+]1C)C[C@H]1CCC[NH2+]C1 ZINC000252577829 353300817 /nfs/dbraw/zinc/30/08/17/353300817.db2.gz JTFKXJLLIMVYTB-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccnc1 ZINC000252895147 353312878 /nfs/dbraw/zinc/31/28/78/353312878.db2.gz YLCFGEXFHOZEFH-DGCLKSJQSA-N 2 1 219.332 1.511 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1cccnc1 ZINC000252895147 353312881 /nfs/dbraw/zinc/31/28/81/353312881.db2.gz YLCFGEXFHOZEFH-DGCLKSJQSA-N 2 1 219.332 1.511 20 0 BDADMP COCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308879077 538117520 /nfs/dbraw/zinc/11/75/20/538117520.db2.gz VCAQHYOAZOMNBS-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP CO[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230310977 353486163 /nfs/dbraw/zinc/48/61/63/353486163.db2.gz ALRGZEZXOAFTLY-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453094075 324142872 /nfs/dbraw/zinc/14/28/72/324142872.db2.gz GKZAKZLNVHUECQ-UONOGXRCSA-N 2 1 240.391 1.467 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000639105325 353602847 /nfs/dbraw/zinc/60/28/47/353602847.db2.gz FWPPNHFWPYZJHI-DGCLKSJQSA-N 2 1 249.358 1.460 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)CC[N@@H+]1C ZINC000334519558 353673486 /nfs/dbraw/zinc/67/34/86/353673486.db2.gz LEQNPFHHEGTDCG-JYBOHDQNSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)CC[N@H+]1C ZINC000334519558 353673488 /nfs/dbraw/zinc/67/34/88/353673488.db2.gz LEQNPFHHEGTDCG-JYBOHDQNSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)CC[N@@H+]1C ZINC000334519557 353673558 /nfs/dbraw/zinc/67/35/58/353673558.db2.gz LEQNPFHHEGTDCG-DMOGRIERSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)CC[N@H+]1C ZINC000334519557 353673561 /nfs/dbraw/zinc/67/35/61/353673561.db2.gz LEQNPFHHEGTDCG-DMOGRIERSA-N 2 1 214.328 1.949 20 0 BDADMP CC(C)n1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000220337177 353828900 /nfs/dbraw/zinc/82/89/00/353828900.db2.gz SDIDCAHHOXHGHH-NWDGAFQWSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000220337177 353828903 /nfs/dbraw/zinc/82/89/03/353828903.db2.gz SDIDCAHHOXHGHH-NWDGAFQWSA-N 2 1 236.363 1.633 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)[C@H](C)C1 ZINC000178426060 366123164 /nfs/dbraw/zinc/12/31/64/366123164.db2.gz CDYZPULUGKVAIJ-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+](CCC[C@@H]1CCO1)CCC[NH+]1CCCC1 ZINC000639133101 353842854 /nfs/dbraw/zinc/84/28/54/353842854.db2.gz YAUAKGJAKPLQQX-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000343515057 353925537 /nfs/dbraw/zinc/92/55/37/353925537.db2.gz SXICLDPRJAEKNB-TYNCELHUSA-N 2 1 248.370 1.747 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)COC ZINC000310001354 491059805 /nfs/dbraw/zinc/05/98/05/491059805.db2.gz DZDDEFDLESZWHO-OLZOCXBDSA-N 2 1 230.396 1.979 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)COC ZINC000310001354 491059807 /nfs/dbraw/zinc/05/98/07/491059807.db2.gz DZDDEFDLESZWHO-OLZOCXBDSA-N 2 1 230.396 1.979 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000449735848 202013766 /nfs/dbraw/zinc/01/37/66/202013766.db2.gz JLVMKBUFDMVSNY-XJFOESAGSA-N 2 1 240.391 1.467 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000449739349 202016057 /nfs/dbraw/zinc/01/60/57/202016057.db2.gz KKDMZQIVRFEEGQ-AWEZNQCLSA-N 2 1 249.358 1.398 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(=O)[nH]c1 ZINC000639177794 354251329 /nfs/dbraw/zinc/25/13/29/354251329.db2.gz GOSLOOVRSNSSMV-DGCLKSJQSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(=O)[nH]c1 ZINC000639177794 354251330 /nfs/dbraw/zinc/25/13/30/354251330.db2.gz GOSLOOVRSNSSMV-DGCLKSJQSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177794 354251331 /nfs/dbraw/zinc/25/13/31/354251331.db2.gz GOSLOOVRSNSSMV-DGCLKSJQSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177794 354251333 /nfs/dbraw/zinc/25/13/33/354251333.db2.gz GOSLOOVRSNSSMV-DGCLKSJQSA-N 2 1 249.358 1.559 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000334589748 354218886 /nfs/dbraw/zinc/21/88/86/354218886.db2.gz SFYHPJXZWSCGDQ-ZWNOBZJWSA-N 2 1 236.363 1.490 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000334589748 354218890 /nfs/dbraw/zinc/21/88/90/354218890.db2.gz SFYHPJXZWSCGDQ-ZWNOBZJWSA-N 2 1 236.363 1.490 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334689325 354477526 /nfs/dbraw/zinc/47/75/26/354477526.db2.gz YKWUTKWBPGAHDQ-LBPRGKRZSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(Cc3ccns3)C2)C1 ZINC000639203804 354640111 /nfs/dbraw/zinc/64/01/11/354640111.db2.gz MEPZFVBXOJJNPA-LBPRGKRZSA-N 2 1 237.372 1.671 20 0 BDADMP CC1=C[C@@H](C)C[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000335115202 354704502 /nfs/dbraw/zinc/70/45/02/354704502.db2.gz SAWLBBVGCRCBAF-LLVKDONJSA-N 2 1 248.374 1.884 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000232677503 363378274 /nfs/dbraw/zinc/37/82/74/363378274.db2.gz ULLLLBHXCBDGJH-NWDGAFQWSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]([NH2+]CCC[NH3+])c1cccc(F)c1F ZINC000235214828 363440463 /nfs/dbraw/zinc/44/04/63/363440463.db2.gz LTDHNJVSQCVIJA-MRVPVSSYSA-N 2 1 214.259 1.964 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](CCCCO)C1CC1 ZINC000346317211 354895071 /nfs/dbraw/zinc/89/50/71/354895071.db2.gz VNWBECXMPQWDFM-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](CCCCO)C1CC1 ZINC000346317211 354895074 /nfs/dbraw/zinc/89/50/74/354895074.db2.gz VNWBECXMPQWDFM-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@@H+]1C ZINC000639222999 354924243 /nfs/dbraw/zinc/92/42/43/354924243.db2.gz QWCBFYGWQITJKI-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@H+]1C ZINC000639222999 354924244 /nfs/dbraw/zinc/92/42/44/354924244.db2.gz QWCBFYGWQITJKI-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000335177625 354947540 /nfs/dbraw/zinc/94/75/40/354947540.db2.gz JMWOTZMVWYJKKX-OAHLLOKOSA-N 2 1 230.355 1.886 20 0 BDADMP C[C@@H]1CN(Cc2cnc[nH]2)CC[N@H+](C2CCC2)C1 ZINC000335207234 355043031 /nfs/dbraw/zinc/04/30/31/355043031.db2.gz KQNACRZOKJOYQC-GFCCVEGCSA-N 2 1 248.374 1.716 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000346639246 355015338 /nfs/dbraw/zinc/01/53/38/355015338.db2.gz JREHFLZPXUTWQT-UWVGGRQHSA-N 2 1 239.388 1.875 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000346639246 355015341 /nfs/dbraw/zinc/01/53/41/355015341.db2.gz JREHFLZPXUTWQT-UWVGGRQHSA-N 2 1 239.388 1.875 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000335209604 355046682 /nfs/dbraw/zinc/04/66/82/355046682.db2.gz HITAJWFOPRUIQC-CQSZACIVSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000335209604 355046686 /nfs/dbraw/zinc/04/66/86/355046686.db2.gz HITAJWFOPRUIQC-CQSZACIVSA-N 2 1 238.375 1.365 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000346751673 355111193 /nfs/dbraw/zinc/11/11/93/355111193.db2.gz DBJYRWHUPMYSPO-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000335238458 355099982 /nfs/dbraw/zinc/09/99/82/355099982.db2.gz IIQPIJJHFNTDNH-NEPJUHHUSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346847442 355136916 /nfs/dbraw/zinc/13/69/16/355136916.db2.gz MMYREKXQFBMBMX-YUTCNCBUSA-N 2 1 248.374 1.586 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@H](C)C1 ZINC000346881654 355143798 /nfs/dbraw/zinc/14/37/98/355143798.db2.gz OGTXWCAGLCZEGA-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CN(C)c1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000346972373 355208162 /nfs/dbraw/zinc/20/81/62/355208162.db2.gz HFKFFLGWYADTIN-UHFFFAOYSA-N 2 1 235.375 1.922 20 0 BDADMP CN(C)c1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000346972373 355208163 /nfs/dbraw/zinc/20/81/63/355208163.db2.gz HFKFFLGWYADTIN-UHFFFAOYSA-N 2 1 235.375 1.922 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000346964735 355172157 /nfs/dbraw/zinc/17/21/57/355172157.db2.gz BVAOPRFLJZXPLH-LBPRGKRZSA-N 2 1 240.347 1.014 20 0 BDADMP C[N@H+](CC(C)(C)[NH3+])[C@H](CCO)c1ccccc1 ZINC000346993965 355192729 /nfs/dbraw/zinc/19/27/29/355192729.db2.gz BKWROEJXDCJBDX-CYBMUJFWSA-N 2 1 236.359 1.779 20 0 BDADMP C[N@@H+](CC(C)(C)[NH3+])[C@H](CCO)c1ccccc1 ZINC000346993965 355192731 /nfs/dbraw/zinc/19/27/31/355192731.db2.gz BKWROEJXDCJBDX-CYBMUJFWSA-N 2 1 236.359 1.779 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346997566 355195425 /nfs/dbraw/zinc/19/54/25/355195425.db2.gz WZDZPTOSTUOXHF-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346997563 355195664 /nfs/dbraw/zinc/19/56/64/355195664.db2.gz WZDZPTOSTUOXHF-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503685 358494324 /nfs/dbraw/zinc/49/43/24/358494324.db2.gz MJCVXOHSJFQLFZ-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2C)C1 ZINC000347003091 355200637 /nfs/dbraw/zinc/20/06/37/355200637.db2.gz KJQUIMOQPAPJAQ-NSHDSACASA-N 2 1 222.336 1.150 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000347003091 355200639 /nfs/dbraw/zinc/20/06/39/355200639.db2.gz KJQUIMOQPAPJAQ-NSHDSACASA-N 2 1 222.336 1.150 20 0 BDADMP CC[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000412979336 191347945 /nfs/dbraw/zinc/34/79/45/191347945.db2.gz TYBJFWRAPFJTKG-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000412979336 191347948 /nfs/dbraw/zinc/34/79/48/191347948.db2.gz TYBJFWRAPFJTKG-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000412979336 191347950 /nfs/dbraw/zinc/34/79/50/191347950.db2.gz TYBJFWRAPFJTKG-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCCSC2)C1 ZINC000405792182 355296164 /nfs/dbraw/zinc/29/61/64/355296164.db2.gz LKOVFRJFBXNTOY-UWVGGRQHSA-N 2 1 200.351 1.305 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000405792184 355296503 /nfs/dbraw/zinc/29/65/03/355296503.db2.gz LKOVFRJFBXNTOY-ZJUUUORDSA-N 2 1 200.351 1.305 20 0 BDADMP CCC[C@@H](C)[C@@H](CO)[NH2+]CCn1cc[nH+]c1C ZINC000583503064 355335110 /nfs/dbraw/zinc/33/51/10/355335110.db2.gz PHPAJVJICCJFHX-DGCLKSJQSA-N 2 1 239.363 1.578 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccns2)C1 ZINC000639257993 355303685 /nfs/dbraw/zinc/30/36/85/355303685.db2.gz WBZKGLUKFUOCPY-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP CCc1cc(NCCC[NH+](C)C)nc(C)[nH+]1 ZINC000084081992 355282342 /nfs/dbraw/zinc/28/23/42/355282342.db2.gz IXCQVIPTJINTDT-UHFFFAOYSA-N 2 1 222.336 1.711 20 0 BDADMP CO[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000191202080 355345731 /nfs/dbraw/zinc/34/57/31/355345731.db2.gz IRLYORJWSNWTBA-YEJSDXFRSA-N 2 1 212.337 1.236 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414858003 191601516 /nfs/dbraw/zinc/60/15/16/191601516.db2.gz HDFYCOFSBINTSQ-QWHCGFSZSA-N 3 1 227.396 1.496 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000414974352 191638798 /nfs/dbraw/zinc/63/87/98/191638798.db2.gz JXFKACCTRUJFBJ-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000336054534 134066015 /nfs/dbraw/zinc/06/60/15/134066015.db2.gz LKUCSKWSPFZCBD-PELKAZGASA-N 2 1 222.336 1.196 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000336054534 134066016 /nfs/dbraw/zinc/06/60/16/134066016.db2.gz LKUCSKWSPFZCBD-PELKAZGASA-N 2 1 222.336 1.196 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218665 355899409 /nfs/dbraw/zinc/89/94/09/355899409.db2.gz JHCAQSLRRITZKR-WDEREUQCSA-N 2 1 212.337 1.286 20 0 BDADMP CO[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351331652 355980492 /nfs/dbraw/zinc/98/04/92/355980492.db2.gz RUVLSNBPZLYNGZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351331652 355980494 /nfs/dbraw/zinc/98/04/94/355980494.db2.gz RUVLSNBPZLYNGZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351331652 355980495 /nfs/dbraw/zinc/98/04/95/355980495.db2.gz RUVLSNBPZLYNGZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000167424995 355992872 /nfs/dbraw/zinc/99/28/72/355992872.db2.gz XWMGECKOFHNHEE-CHWSQXEVSA-N 2 1 228.380 1.633 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]12 ZINC000351492431 356001258 /nfs/dbraw/zinc/00/12/58/356001258.db2.gz KWFQWFHURRJLNI-JHJVBQTASA-N 2 1 224.348 1.082 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000167103316 355958353 /nfs/dbraw/zinc/95/83/53/355958353.db2.gz ZTRSPKDZLUDMAD-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP Cc1nccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000351657980 356046892 /nfs/dbraw/zinc/04/68/92/356046892.db2.gz FRFCZHIGMJBPBJ-RISCZKNCSA-N 2 1 248.374 1.700 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000167466243 356087339 /nfs/dbraw/zinc/08/73/39/356087339.db2.gz HHFZKLQRERWFRE-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000167466144 356087480 /nfs/dbraw/zinc/08/74/80/356087480.db2.gz HHFZKLQRERWFRE-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP Cc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc(C)[nH+]1 ZINC000420235770 192181449 /nfs/dbraw/zinc/18/14/49/192181449.db2.gz JBIXSPXPHJFRTG-TXEJJXNPSA-N 2 1 232.331 1.424 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000420265414 192193016 /nfs/dbraw/zinc/19/30/16/192193016.db2.gz QAABTQUTSYEBDU-BDAKNGLRSA-N 2 1 246.318 1.118 20 0 BDADMP CO[C@@H](C)C[N@@H+](CC[C@H]1CC[NH2+]C1)C(C)C ZINC000420300415 192206338 /nfs/dbraw/zinc/20/63/38/192206338.db2.gz KIFWHEBTOMXJSG-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420283599 192199182 /nfs/dbraw/zinc/19/91/82/192199182.db2.gz CHMLUMYJPJWNSA-KBPBESRZSA-N 3 1 241.423 1.681 20 0 BDADMP Cc1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)c(C)n1 ZINC000420289190 192200794 /nfs/dbraw/zinc/20/07/94/192200794.db2.gz JWFYXLCZUGDJCZ-AWEZNQCLSA-N 2 1 233.359 1.915 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420287343 192201619 /nfs/dbraw/zinc/20/16/19/192201619.db2.gz GCMTUOYGTFLFIZ-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420287343 192201622 /nfs/dbraw/zinc/20/16/22/192201622.db2.gz GCMTUOYGTFLFIZ-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420289668 192201983 /nfs/dbraw/zinc/20/19/83/192201983.db2.gz KPWIEKHIXHZSIF-ZIAGYGMSSA-N 3 1 241.423 1.778 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420289668 192201985 /nfs/dbraw/zinc/20/19/85/192201985.db2.gz KPWIEKHIXHZSIF-ZIAGYGMSSA-N 3 1 241.423 1.778 20 0 BDADMP C[N@H+](Cc1cc[nH]c(=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000639494008 356317774 /nfs/dbraw/zinc/31/77/74/356317774.db2.gz HNEYDCUGUNDVFZ-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP C[NH+](Cc1cc[nH]c(=O)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000639494008 356317775 /nfs/dbraw/zinc/31/77/75/356317775.db2.gz HNEYDCUGUNDVFZ-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP C[NH+](Cc1cc[nH]c(=O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000639494008 356317776 /nfs/dbraw/zinc/31/77/76/356317776.db2.gz HNEYDCUGUNDVFZ-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336761 192213893 /nfs/dbraw/zinc/21/38/93/192213893.db2.gz WGMZQMARHNKJHI-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP FCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334893 192214527 /nfs/dbraw/zinc/21/45/27/192214527.db2.gz UNMGCEFZOYFNCG-NEPJUHHUSA-N 2 1 214.328 1.668 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000639509745 356339257 /nfs/dbraw/zinc/33/92/57/356339257.db2.gz LBXPBQYWMHPDNG-YPMHNXCESA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000639509745 356339259 /nfs/dbraw/zinc/33/92/59/356339259.db2.gz LBXPBQYWMHPDNG-YPMHNXCESA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1C ZINC000639509745 356339263 /nfs/dbraw/zinc/33/92/63/356339263.db2.gz LBXPBQYWMHPDNG-YPMHNXCESA-N 2 1 249.358 1.702 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1C ZINC000639509745 356339265 /nfs/dbraw/zinc/33/92/65/356339265.db2.gz LBXPBQYWMHPDNG-YPMHNXCESA-N 2 1 249.358 1.702 20 0 BDADMP C[N@@H+](CCCC1CCCC1)C[C@H](O)C[NH3+] ZINC000420349888 192217791 /nfs/dbraw/zinc/21/77/91/192217791.db2.gz FASDOHMFSVCHHX-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP COc1cccc([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350066 192218308 /nfs/dbraw/zinc/21/83/08/192218308.db2.gz FQWUQBBVLURMRK-PWSUYJOCSA-N 2 1 238.331 1.008 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639512736 356349825 /nfs/dbraw/zinc/34/98/25/356349825.db2.gz XMQFXBNAYAJRFE-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639512736 356349826 /nfs/dbraw/zinc/34/98/26/356349826.db2.gz XMQFXBNAYAJRFE-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639512736 356349827 /nfs/dbraw/zinc/34/98/27/356349827.db2.gz XMQFXBNAYAJRFE-ZDUSSCGKSA-N 2 1 249.358 1.561 20 0 BDADMP CC[N@@H+](CCCC(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420309373 192210850 /nfs/dbraw/zinc/21/08/50/192210850.db2.gz LFUXORPPIZPVIH-GFCCVEGCSA-N 2 1 242.363 1.404 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]12 ZINC000420308307 192211494 /nfs/dbraw/zinc/21/14/94/192211494.db2.gz NKHOFJKRHFUSOO-YIYPIFLZSA-N 2 1 238.375 1.615 20 0 BDADMP CC(C)COCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420367589 192225883 /nfs/dbraw/zinc/22/58/83/192225883.db2.gz MWELRSONBSNHCB-JHJVBQTASA-N 2 1 228.380 1.635 20 0 BDADMP Cc1cc(C)c2c(c1)C[N@H+](CCOCC[NH3+])CC2 ZINC000420367516 192226419 /nfs/dbraw/zinc/22/64/19/192226419.db2.gz GWTWMKAZFXUCHU-UHFFFAOYSA-N 2 1 248.370 1.637 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639526635 356375614 /nfs/dbraw/zinc/37/56/14/356375614.db2.gz GPMQJLWMOJQTSV-UHFFFAOYSA-N 2 1 249.358 1.750 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420322059 192228399 /nfs/dbraw/zinc/22/83/99/192228399.db2.gz RXXLKYPLOZHKJC-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000336497308 356379852 /nfs/dbraw/zinc/37/98/52/356379852.db2.gz PAKDYUMDFABCEY-CYBMUJFWSA-N 2 1 248.374 1.272 20 0 BDADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OCC1CC1 ZINC000420325774 192229291 /nfs/dbraw/zinc/22/92/91/192229291.db2.gz BUHJALCGZJFAFL-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP CN(CC[N@@H+](C)C1CC([NH3+])C1)c1ccccc1 ZINC000420327517 192229797 /nfs/dbraw/zinc/22/97/97/192229797.db2.gz GNASCBNCINOFRK-UHFFFAOYSA-N 2 1 233.359 1.544 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420372231 192230066 /nfs/dbraw/zinc/23/00/66/192230066.db2.gz QBPRNGVKBLSEFY-MQYQWHSLSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1[NH3+] ZINC000420357592 192219876 /nfs/dbraw/zinc/21/98/76/192219876.db2.gz DNJGCKDSVOOIDV-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP CCC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420361350 192221479 /nfs/dbraw/zinc/22/14/79/192221479.db2.gz NIRMYEGPWGZLFX-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(N)c1 ZINC000420358699 192222412 /nfs/dbraw/zinc/22/24/12/192222412.db2.gz IYUBXCQSQWMCHB-LBPRGKRZSA-N 2 1 221.348 1.732 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@@H]1CCCO1 ZINC000420361910 192222457 /nfs/dbraw/zinc/22/24/57/192222457.db2.gz MUNDTJJNBOITMF-WDEREUQCSA-N 2 1 214.353 1.519 20 0 BDADMP COC1CC([NH+](C)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000352194381 134098188 /nfs/dbraw/zinc/09/81/88/134098188.db2.gz JHCWCILQXFMPTC-HIFPTAJRSA-N 2 1 226.364 1.580 20 0 BDADMP COCCOCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420382227 192234681 /nfs/dbraw/zinc/23/46/81/192234681.db2.gz ZOPAPFQWAQBEBF-CYBMUJFWSA-N 2 1 244.379 1.147 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420384461 192234953 /nfs/dbraw/zinc/23/49/53/192234953.db2.gz DVNNHRKKXKFPDO-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CCn1nccc1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420373673 192231140 /nfs/dbraw/zinc/23/11/40/192231140.db2.gz MVFIFIDDAJNWEJ-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP COC[C@H]1CCCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420377559 192232837 /nfs/dbraw/zinc/23/28/37/192232837.db2.gz SNHMBRHWTRQRQO-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1CCOCC1 ZINC000420377756 192232893 /nfs/dbraw/zinc/23/28/93/192232893.db2.gz WNEOCBVAWNTARN-NQBHXWOUSA-N 2 1 226.364 1.389 20 0 BDADMP CCOC(=O)CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380203 192233047 /nfs/dbraw/zinc/23/30/47/192233047.db2.gz RJDYPZPADVCKNJ-CYBMUJFWSA-N 2 1 240.347 1.015 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380203 192233048 /nfs/dbraw/zinc/23/30/48/192233048.db2.gz RJDYPZPADVCKNJ-CYBMUJFWSA-N 2 1 240.347 1.015 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)c(C)n1 ZINC000639551052 356434159 /nfs/dbraw/zinc/43/41/59/356434159.db2.gz GHQGJWIABMFKSS-WCQYABFASA-N 2 1 234.343 1.962 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C ZINC000420917783 192272482 /nfs/dbraw/zinc/27/24/82/192272482.db2.gz UBMCZXRWUHQAEV-XDQVBPFNSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C ZINC000420917783 192272485 /nfs/dbraw/zinc/27/24/85/192272485.db2.gz UBMCZXRWUHQAEV-XDQVBPFNSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)C[C@@H]1C ZINC000420917783 192272487 /nfs/dbraw/zinc/27/24/87/192272487.db2.gz UBMCZXRWUHQAEV-XDQVBPFNSA-N 2 1 240.391 1.562 20 0 BDADMP Cn1cc(C(C)(C)[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000639583530 356505930 /nfs/dbraw/zinc/50/59/30/356505930.db2.gz GKTOLMSICVEJSR-UHFFFAOYSA-N 2 1 247.346 1.221 20 0 BDADMP CC[NH+](CC)CCCN(C)C[C@H]1CCC[N@H+]1C ZINC000420992512 192292784 /nfs/dbraw/zinc/29/27/84/192292784.db2.gz CBQGWDICAFLGOA-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP CC1(C)CCC[N@@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000449778009 202032430 /nfs/dbraw/zinc/03/24/30/202032430.db2.gz ARKNTOKUQUGNKQ-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC1(C)CCC[N@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000449778009 202032433 /nfs/dbraw/zinc/03/24/33/202032433.db2.gz ARKNTOKUQUGNKQ-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP c1cc2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)nc2[nH]1 ZINC000423129519 192578069 /nfs/dbraw/zinc/57/80/69/192578069.db2.gz XETKEZHWEIGVLQ-LBPRGKRZSA-N 2 1 244.342 1.795 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000639763312 356688812 /nfs/dbraw/zinc/68/88/12/356688812.db2.gz CDEMOKINGKTBRQ-HNNXBMFYSA-N 2 1 248.370 1.575 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000639763312 356688816 /nfs/dbraw/zinc/68/88/16/356688816.db2.gz CDEMOKINGKTBRQ-HNNXBMFYSA-N 2 1 248.370 1.575 20 0 BDADMP CCC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768604 356699414 /nfs/dbraw/zinc/69/94/14/356699414.db2.gz UGQMDPASUVERKW-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768604 356699418 /nfs/dbraw/zinc/69/94/18/356699418.db2.gz UGQMDPASUVERKW-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCCCF)C1 ZINC000639769385 356708687 /nfs/dbraw/zinc/70/86/87/356708687.db2.gz YEZJJRWSHVZPKB-ZDUSSCGKSA-N 2 1 246.370 1.515 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450431565 202165245 /nfs/dbraw/zinc/16/52/45/202165245.db2.gz ZZIFKBORNBKRET-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000423153284 192591622 /nfs/dbraw/zinc/59/16/22/192591622.db2.gz HJGBBNMUSQALAN-UPJWGTAASA-N 2 1 226.364 1.391 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373036 356882208 /nfs/dbraw/zinc/88/22/08/356882208.db2.gz PWJYBYKMORFPNM-CHWSQXEVSA-N 2 1 242.407 1.856 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCOC)C1 ZINC000088536902 491104805 /nfs/dbraw/zinc/10/48/05/491104805.db2.gz KNKPKLVGKRDNCM-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536902 491104807 /nfs/dbraw/zinc/10/48/07/491104807.db2.gz KNKPKLVGKRDNCM-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536902 491104808 /nfs/dbraw/zinc/10/48/08/491104808.db2.gz KNKPKLVGKRDNCM-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383934 356909152 /nfs/dbraw/zinc/90/91/52/356909152.db2.gz HYLHPHOZXPEHSN-QWHCGFSZSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115546973 356956436 /nfs/dbraw/zinc/95/64/36/356956436.db2.gz JRMVPXSPRFFNCV-UHFFFAOYSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CCC([N@H+](C[C@@H](C)OC)C2CC2)CC1 ZINC000367790908 356959431 /nfs/dbraw/zinc/95/94/31/356959431.db2.gz JSODGFWEGFOJKA-GFCCVEGCSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C[C@@H](C)OC)C2CC2)CC1 ZINC000367790908 356959434 /nfs/dbraw/zinc/95/94/34/356959434.db2.gz JSODGFWEGFOJKA-GFCCVEGCSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623396475 357020927 /nfs/dbraw/zinc/02/09/27/357020927.db2.gz TWVNGFFVWZHKAS-NEPJUHHUSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@@H](CSC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000390562816 357105130 /nfs/dbraw/zinc/10/51/30/357105130.db2.gz KWCNDXQQFRNKGK-CMPLNLGQSA-N 2 1 246.420 1.173 20 0 BDADMP CC[C@@H](CSC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390562816 357105133 /nfs/dbraw/zinc/10/51/33/357105133.db2.gz KWCNDXQQFRNKGK-CMPLNLGQSA-N 2 1 246.420 1.173 20 0 BDADMP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)CC1CC1 ZINC000390623315 357108306 /nfs/dbraw/zinc/10/83/06/357108306.db2.gz GLIZCJVXQGZBAD-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1CC1 ZINC000390623315 357108307 /nfs/dbraw/zinc/10/83/07/357108307.db2.gz GLIZCJVXQGZBAD-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1CC1 ZINC000390623315 357108308 /nfs/dbraw/zinc/10/83/08/357108308.db2.gz GLIZCJVXQGZBAD-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1CC1 ZINC000390623315 357108309 /nfs/dbraw/zinc/10/83/09/357108309.db2.gz GLIZCJVXQGZBAD-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000390678169 357111227 /nfs/dbraw/zinc/11/12/27/357111227.db2.gz YMCQCQMFIIHPGQ-ZDEQEGDKSA-N 2 1 226.364 1.484 20 0 BDADMP Cc1cc(NCC2=CC[N@H+](C)CC2)nc(C)[nH+]1 ZINC000354565785 538778441 /nfs/dbraw/zinc/77/84/41/538778441.db2.gz CABRTKHFPRNGLE-UHFFFAOYSA-N 2 1 232.331 1.189 20 0 BDADMP Cc1cc(NCC2=CC[N@@H+](C)CC2)nc(C)[nH+]1 ZINC000354565785 538778449 /nfs/dbraw/zinc/77/84/49/538778449.db2.gz CABRTKHFPRNGLE-UHFFFAOYSA-N 2 1 232.331 1.189 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000390065921 357082297 /nfs/dbraw/zinc/08/22/97/357082297.db2.gz ZUYZTJVSICSXPV-CMPLNLGQSA-N 2 1 220.320 1.208 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000390065921 357082300 /nfs/dbraw/zinc/08/23/00/357082300.db2.gz ZUYZTJVSICSXPV-CMPLNLGQSA-N 2 1 220.320 1.208 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC[C@@H]1C ZINC000390683048 357114188 /nfs/dbraw/zinc/11/41/88/357114188.db2.gz YNHJMGMHDAILGA-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC[C@@H]1C ZINC000390683048 357114194 /nfs/dbraw/zinc/11/41/94/357114194.db2.gz YNHJMGMHDAILGA-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000390683048 357114196 /nfs/dbraw/zinc/11/41/96/357114196.db2.gz YNHJMGMHDAILGA-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000390683048 357114202 /nfs/dbraw/zinc/11/42/02/357114202.db2.gz YNHJMGMHDAILGA-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)COC ZINC000390496251 357096985 /nfs/dbraw/zinc/09/69/85/357096985.db2.gz SCJHPUGOZAYVIX-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)COC ZINC000390496251 357096989 /nfs/dbraw/zinc/09/69/89/357096989.db2.gz SCJHPUGOZAYVIX-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CCc1nc(N[C@@H](C)C[NH+](C)C)cc(C)[nH+]1 ZINC000304371105 357163938 /nfs/dbraw/zinc/16/39/38/357163938.db2.gz UUMZFXGBBMIDGC-JTQLQIEISA-N 2 1 222.336 1.709 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCSC2)C[C@H]1[NH3+] ZINC000300048885 357177686 /nfs/dbraw/zinc/17/76/86/357177686.db2.gz NMHZBGBOMZIEPC-KXUCPTDWSA-N 2 1 200.351 1.161 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000584358658 357328900 /nfs/dbraw/zinc/32/89/00/357328900.db2.gz DGODVOQZKRXMJK-LLVKDONJSA-N 2 1 207.321 1.695 20 0 BDADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000397254879 357509914 /nfs/dbraw/zinc/50/99/14/357509914.db2.gz HXXQLHBQRCKXOP-CYBMUJFWSA-N 2 1 237.347 1.367 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000583093892 357479049 /nfs/dbraw/zinc/47/90/49/357479049.db2.gz DUCQKACPWOPKKB-CYBMUJFWSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000583093892 357479054 /nfs/dbraw/zinc/47/90/54/357479054.db2.gz DUCQKACPWOPKKB-CYBMUJFWSA-N 2 1 242.407 1.665 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)CC1(C)C ZINC000623412547 357595608 /nfs/dbraw/zinc/59/56/08/357595608.db2.gz PNTJGEZCYPQJTA-LLVKDONJSA-N 2 1 226.364 1.364 20 0 BDADMP CC(C)COCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000232637157 357669465 /nfs/dbraw/zinc/66/94/65/357669465.db2.gz BOKCLXRTTKKAKZ-ZDUSSCGKSA-N 2 1 230.396 1.964 20 0 BDADMP CCC(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000190281914 357699227 /nfs/dbraw/zinc/69/92/27/357699227.db2.gz JOCNDCAYFLDTPY-OCCSQVGLSA-N 2 1 238.375 1.772 20 0 BDADMP CCC(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000190281914 357699229 /nfs/dbraw/zinc/69/92/29/357699229.db2.gz JOCNDCAYFLDTPY-OCCSQVGLSA-N 2 1 238.375 1.772 20 0 BDADMP CCC(=O)CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000190281914 357699234 /nfs/dbraw/zinc/69/92/34/357699234.db2.gz JOCNDCAYFLDTPY-OCCSQVGLSA-N 2 1 238.375 1.772 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000191781859 357796060 /nfs/dbraw/zinc/79/60/60/357796060.db2.gz IGJPPZYONZYZAE-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCO[C@H](C)C1 ZINC000191781859 357796063 /nfs/dbraw/zinc/79/60/63/357796063.db2.gz IGJPPZYONZYZAE-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416250 357831718 /nfs/dbraw/zinc/83/17/18/357831718.db2.gz OKIUPOOPGULBGU-GXTWGEPZSA-N 2 1 242.407 2.000 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000085170858 134224474 /nfs/dbraw/zinc/22/44/74/134224474.db2.gz UMYBKASBBMRDOV-NSHDSACASA-N 2 1 222.336 1.123 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000085170858 134224475 /nfs/dbraw/zinc/22/44/75/134224475.db2.gz UMYBKASBBMRDOV-NSHDSACASA-N 2 1 222.336 1.123 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000235645345 357926116 /nfs/dbraw/zinc/92/61/16/357926116.db2.gz KQPGIXLXVAQHNO-PWSUYJOCSA-N 2 1 223.320 1.349 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[NH2+]CC1 ZINC000217644986 134249436 /nfs/dbraw/zinc/24/94/36/134249436.db2.gz CBPVWZCGWRLFHQ-CYBMUJFWSA-N 2 1 227.396 1.450 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000217922237 134251075 /nfs/dbraw/zinc/25/10/75/134251075.db2.gz FSWPJLYREYKILQ-HIFPTAJRSA-N 3 1 227.396 1.576 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000217922237 134251076 /nfs/dbraw/zinc/25/10/76/134251076.db2.gz FSWPJLYREYKILQ-HIFPTAJRSA-N 3 1 227.396 1.576 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](CCOC)CC1 ZINC000640018239 358080838 /nfs/dbraw/zinc/08/08/38/358080838.db2.gz YBAIMMDNDRCQJO-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(F)F ZINC000389930655 491121772 /nfs/dbraw/zinc/12/17/72/491121772.db2.gz ZYPPZCNHBZJHKL-RKDXNWHRSA-N 2 1 220.307 1.960 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623421194 358165253 /nfs/dbraw/zinc/16/52/53/358165253.db2.gz BEEAECBAEGOJHZ-RYUDHWBXSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623420302 358160309 /nfs/dbraw/zinc/16/03/09/358160309.db2.gz XTTGOXQOMOOQHB-QWRGUYRKSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222959509 358216516 /nfs/dbraw/zinc/21/65/16/358216516.db2.gz QFJPMOUPCFTOPQ-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000040622819 358243933 /nfs/dbraw/zinc/24/39/33/358243933.db2.gz HDESZTNWKSHGOC-GFCCVEGCSA-N 2 1 236.363 1.240 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000040622819 358243936 /nfs/dbraw/zinc/24/39/36/358243936.db2.gz HDESZTNWKSHGOC-GFCCVEGCSA-N 2 1 236.363 1.240 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000225714587 358331791 /nfs/dbraw/zinc/33/17/91/358331791.db2.gz AKTLJMIKFZKEHB-NWDGAFQWSA-N 2 1 216.369 1.574 20 0 BDADMP Cc1ncsc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282157 134274706 /nfs/dbraw/zinc/27/47/06/134274706.db2.gz YSPRCYFNHKWDPX-AOOOYVTPSA-N 2 1 223.345 1.103 20 0 BDADMP Cc1ncsc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282157 134274707 /nfs/dbraw/zinc/27/47/07/134274707.db2.gz YSPRCYFNHKWDPX-AOOOYVTPSA-N 2 1 223.345 1.103 20 0 BDADMP CC[NH+]1CCC(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000044517347 358388459 /nfs/dbraw/zinc/38/84/59/358388459.db2.gz QAFYNXHYVDEROI-UHFFFAOYSA-N 3 1 239.407 1.402 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000045038836 358400283 /nfs/dbraw/zinc/40/02/83/358400283.db2.gz RNMSDKUJCBRMHA-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCSC1 ZINC000300231325 358589581 /nfs/dbraw/zinc/58/95/81/358589581.db2.gz GQOMWEAJSGZPQZ-GMTAPVOTSA-N 2 1 214.378 1.551 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CCCOC1 ZINC000049330271 358682777 /nfs/dbraw/zinc/68/27/77/358682777.db2.gz IOZCPMZGLUXLHP-LBPRGKRZSA-N 2 1 223.320 1.208 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623429989 358689811 /nfs/dbraw/zinc/68/98/11/358689811.db2.gz YTBODGUEERVHOY-OLZOCXBDSA-N 2 1 242.407 2.000 20 0 BDADMP CCCC1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000049545118 358694353 /nfs/dbraw/zinc/69/43/53/358694353.db2.gz OVSYOAMDRZHGRC-RUXDESIVSA-N 2 1 242.407 1.857 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133021833 358743475 /nfs/dbraw/zinc/74/34/75/358743475.db2.gz CBDZBYNSJHVBKC-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOc1ccc(Cl)cc1 ZINC000133197706 358747727 /nfs/dbraw/zinc/74/77/27/358747727.db2.gz ANWNFMQANUSFHP-UHFFFAOYSA-N 2 1 242.750 1.999 20 0 BDADMP COC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000050068524 358713079 /nfs/dbraw/zinc/71/30/79/358713079.db2.gz JCEHCDLDUXEOAI-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP COC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000050068524 358713081 /nfs/dbraw/zinc/71/30/81/358713081.db2.gz JCEHCDLDUXEOAI-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP COC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000050068524 358713083 /nfs/dbraw/zinc/71/30/83/358713083.db2.gz JCEHCDLDUXEOAI-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1F ZINC000423305320 192694725 /nfs/dbraw/zinc/69/47/25/192694725.db2.gz QPWANIXZJQXOPY-SECBINFHSA-N 2 1 208.280 1.696 20 0 BDADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134752658 358804975 /nfs/dbraw/zinc/80/49/75/358804975.db2.gz RNARSNWWBCLOLS-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000134752658 358804979 /nfs/dbraw/zinc/80/49/79/358804979.db2.gz RNARSNWWBCLOLS-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000086403814 358968428 /nfs/dbraw/zinc/96/84/28/358968428.db2.gz ONIHXTBLRPIGGI-ZJUUUORDSA-N 2 1 209.293 1.343 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000578348581 366532868 /nfs/dbraw/zinc/53/28/68/366532868.db2.gz AHSYPFYPJULYFM-XUXIUFHCSA-N 2 1 239.407 1.624 20 0 BDADMP CC[C@@H]([NH2+]CCCC[NH3+])[C@@H]1CCCCN1 ZINC000423330010 192711893 /nfs/dbraw/zinc/71/18/93/192711893.db2.gz PJPXOCRSQJRROR-NEPJUHHUSA-N 2 1 213.369 1.236 20 0 BDADMP CCOCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247942595 359249637 /nfs/dbraw/zinc/24/96/37/359249637.db2.gz DDQLUMBYAJTCLI-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247942595 359249640 /nfs/dbraw/zinc/24/96/40/359249640.db2.gz DDQLUMBYAJTCLI-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247942595 359249642 /nfs/dbraw/zinc/24/96/42/359249642.db2.gz DDQLUMBYAJTCLI-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[NH2+]C(C)(C)CNc1cc(C)[nH+]c(C)n1 ZINC000308918143 491140195 /nfs/dbraw/zinc/14/01/95/491140195.db2.gz GKUVBWMKGLMASM-UHFFFAOYSA-N 2 1 208.309 1.503 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000580434600 359545982 /nfs/dbraw/zinc/54/59/82/359545982.db2.gz BWSVEDVLSFJGMX-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000580434601 359546008 /nfs/dbraw/zinc/54/60/08/359546008.db2.gz BWSVEDVLSFJGMX-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000580445852 359562648 /nfs/dbraw/zinc/56/26/48/359562648.db2.gz IWKUKRZZQHVVMF-AWEZNQCLSA-N 2 1 233.359 1.685 20 0 BDADMP C[C@H]1C[C@H](NCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379652681 359574617 /nfs/dbraw/zinc/57/46/17/359574617.db2.gz XRHVHBKABIFHNC-DZGCQCFKSA-N 2 1 247.386 1.588 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000578368539 366541663 /nfs/dbraw/zinc/54/16/63/366541663.db2.gz VPXBFECQYPBDJG-XUXIUFHCSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000578368539 366541668 /nfs/dbraw/zinc/54/16/68/366541668.db2.gz VPXBFECQYPBDJG-XUXIUFHCSA-N 2 1 242.407 1.856 20 0 BDADMP CC[N@@H+](CCCn1ccnc1C)C1COC1 ZINC000451287280 202396429 /nfs/dbraw/zinc/39/64/29/202396429.db2.gz PZTYTBHYEJLJEZ-UHFFFAOYSA-N 2 1 223.320 1.302 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)C1COC1 ZINC000451287280 202396437 /nfs/dbraw/zinc/39/64/37/202396437.db2.gz PZTYTBHYEJLJEZ-UHFFFAOYSA-N 2 1 223.320 1.302 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C1CC1 ZINC000578838192 366651336 /nfs/dbraw/zinc/65/13/36/366651336.db2.gz UHLQIXBQZALHRE-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C1CC1 ZINC000578838192 366651342 /nfs/dbraw/zinc/65/13/42/366651342.db2.gz UHLQIXBQZALHRE-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1CC1 ZINC000578838192 366651348 /nfs/dbraw/zinc/65/13/48/366651348.db2.gz UHLQIXBQZALHRE-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1CC1 ZINC000578838192 366651355 /nfs/dbraw/zinc/65/13/55/366651355.db2.gz UHLQIXBQZALHRE-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000089139595 359991797 /nfs/dbraw/zinc/99/17/97/359991797.db2.gz OENQHAOQCVKYOV-KBPBESRZSA-N 3 1 241.423 1.825 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089145874 359993208 /nfs/dbraw/zinc/99/32/08/359993208.db2.gz NMLNSYMOHIXTPH-SCRDCRAPSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089145874 359993209 /nfs/dbraw/zinc/99/32/09/359993209.db2.gz NMLNSYMOHIXTPH-SCRDCRAPSA-N 2 1 237.391 1.330 20 0 BDADMP CCCCC[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000089427955 360019605 /nfs/dbraw/zinc/01/96/05/360019605.db2.gz QJJAGRFXZOJCSL-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP CCCCC[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000089427955 360019608 /nfs/dbraw/zinc/01/96/08/360019608.db2.gz QJJAGRFXZOJCSL-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP CCCCC[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000089427955 360019614 /nfs/dbraw/zinc/01/96/14/360019614.db2.gz QJJAGRFXZOJCSL-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089425420 360019992 /nfs/dbraw/zinc/01/99/92/360019992.db2.gz KEFYJNRRFMVCLE-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@H](C)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000089425420 360019996 /nfs/dbraw/zinc/01/99/96/360019996.db2.gz KEFYJNRRFMVCLE-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@H](C)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000089425420 360019999 /nfs/dbraw/zinc/01/99/99/360019999.db2.gz KEFYJNRRFMVCLE-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000089150636 359993969 /nfs/dbraw/zinc/99/39/69/359993969.db2.gz LGNNXMHVRPBVRG-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@@H+]1C ZINC000090795393 360089520 /nfs/dbraw/zinc/08/95/20/360089520.db2.gz UQESGWNYRRFFNH-QWRGUYRKSA-N 2 1 249.362 1.437 20 0 BDADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@H+]1C ZINC000090795393 360089525 /nfs/dbraw/zinc/08/95/25/360089525.db2.gz UQESGWNYRRFFNH-QWRGUYRKSA-N 2 1 249.362 1.437 20 0 BDADMP c1[nH]nc2cccc(C[NH2+]CCC[NH+]3CCC3)c12 ZINC000623478397 360433978 /nfs/dbraw/zinc/43/39/78/360433978.db2.gz JWMQYTFSSYMDNZ-UHFFFAOYSA-N 2 1 244.342 1.748 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000309645118 491153494 /nfs/dbraw/zinc/15/34/94/491153494.db2.gz MANAALCZXJUCQO-CYBMUJFWSA-N 2 1 226.364 1.221 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407323 361056197 /nfs/dbraw/zinc/05/61/97/361056197.db2.gz XSIQDVXSXHGFLY-MBNYWOFBSA-N 2 1 248.370 1.966 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000629509249 361103581 /nfs/dbraw/zinc/10/35/81/361103581.db2.gz KHIHNOGYLGOYJE-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000629509249 361103583 /nfs/dbraw/zinc/10/35/83/361103583.db2.gz KHIHNOGYLGOYJE-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629512105 361105722 /nfs/dbraw/zinc/10/57/22/361105722.db2.gz ALCOHNMKHTXNPE-RQJABVFESA-N 2 1 249.402 1.249 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccnc2N)C1 ZINC000629510432 361108746 /nfs/dbraw/zinc/10/87/46/361108746.db2.gz UEUMJKRISWOYFG-MNOVXSKESA-N 2 1 234.347 1.223 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000629510432 361108750 /nfs/dbraw/zinc/10/87/50/361108750.db2.gz UEUMJKRISWOYFG-MNOVXSKESA-N 2 1 234.347 1.223 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629515948 361110363 /nfs/dbraw/zinc/11/03/63/361110363.db2.gz WQKCURUHOVFGIP-IACUBPJLSA-N 2 1 240.391 1.861 20 0 BDADMP CCC[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OCC ZINC000629514986 361112912 /nfs/dbraw/zinc/11/29/12/361112912.db2.gz OIFTUPGVMQFOHJ-FRRDWIJNSA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C1CC[NH+](C)CC1 ZINC000629526250 361128392 /nfs/dbraw/zinc/12/83/92/361128392.db2.gz OAWPEPPYADSOLP-KWCYVHTRSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2N)CC[NH2+]1 ZINC000424362815 200922116 /nfs/dbraw/zinc/92/21/16/200922116.db2.gz AZSMRDQOSIHXBI-YVECIDJPSA-N 2 1 225.380 1.234 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000629530678 361145641 /nfs/dbraw/zinc/14/56/41/361145641.db2.gz NHXYJVDIIDJGRA-OLZOCXBDSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccsc1 ZINC000629522185 361123672 /nfs/dbraw/zinc/12/36/72/361123672.db2.gz WWUTWTUBSUKMKO-SNVBAGLBSA-N 2 1 240.372 1.907 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](COC)C(C)C ZINC000629526230 361127837 /nfs/dbraw/zinc/12/78/37/361127837.db2.gz NXDAIAOCZOZHHZ-QJPTWQEYSA-N 2 1 214.353 1.388 20 0 BDADMP CCSCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000158567664 361204160 /nfs/dbraw/zinc/20/41/60/361204160.db2.gz HMOPAZVEBSLSED-JTQLQIEISA-N 2 1 202.367 1.410 20 0 BDADMP C[C@H](C(N)=O)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532273 361302332 /nfs/dbraw/zinc/30/23/32/361302332.db2.gz SAFPSXLKRWHBLD-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CC[C@H](C)[NH3+])nn1C ZINC000622044736 370677235 /nfs/dbraw/zinc/67/72/35/370677235.db2.gz QPFBBIYSFQMGNO-WPRPVWTQSA-N 2 1 210.325 1.116 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000622044816 370677285 /nfs/dbraw/zinc/67/72/85/370677285.db2.gz TYVGRBKPIHNVIT-WUHRBBMRSA-N 3 1 225.380 1.234 20 0 BDADMP C[NH+](C)Cc1cccc(-c2nc(C[NH3+])no2)c1 ZINC000579353033 366766842 /nfs/dbraw/zinc/76/68/42/366766842.db2.gz QJCHIQQUYRMLRT-UHFFFAOYSA-N 2 1 232.287 1.257 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000629534703 361408323 /nfs/dbraw/zinc/40/83/23/361408323.db2.gz AYTVTPFZCVZAMX-NEPJUHHUSA-N 2 1 228.380 1.765 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000629545823 361426871 /nfs/dbraw/zinc/42/68/71/361426871.db2.gz CTINFGMDYXOXRH-ASEORRQLSA-N 2 1 238.375 1.674 20 0 BDADMP CCO[C@@H](C[N@H+](C)CC(C)(C)[NH3+])C1CC1 ZINC000629546953 361429078 /nfs/dbraw/zinc/42/90/78/361429078.db2.gz RHIWOBLYICMEGY-NSHDSACASA-N 2 1 214.353 1.471 20 0 BDADMP CCO[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CC1 ZINC000629546953 361429085 /nfs/dbraw/zinc/42/90/85/361429085.db2.gz RHIWOBLYICMEGY-NSHDSACASA-N 2 1 214.353 1.471 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCC2 ZINC000629546885 361429811 /nfs/dbraw/zinc/42/98/11/361429811.db2.gz YNTJAFMUWGNQGQ-UMSGYPCISA-N 2 1 238.375 1.674 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(F)c1 ZINC000629565716 361459403 /nfs/dbraw/zinc/45/94/03/361459403.db2.gz GAWKMHUBKIYPSV-UHFFFAOYSA-N 2 1 240.322 1.494 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccncc1C ZINC000629572639 361464687 /nfs/dbraw/zinc/46/46/87/361464687.db2.gz ZSIIITSDLSXVID-UHFFFAOYSA-N 2 1 237.347 1.058 20 0 BDADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000629576779 361467833 /nfs/dbraw/zinc/46/78/33/361467833.db2.gz SXIMZBLDWRAODI-ZJUUUORDSA-N 2 1 218.291 1.716 20 0 BDADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430943541 201159503 /nfs/dbraw/zinc/15/95/03/201159503.db2.gz PKVBSHQVWQSPIX-ZDUSSCGKSA-N 2 1 247.342 1.426 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593215 361484777 /nfs/dbraw/zinc/48/47/77/361484777.db2.gz ITGCTSFYSLNRGJ-XQHKEYJVSA-N 2 1 208.349 1.574 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562478 361455824 /nfs/dbraw/zinc/45/58/24/361455824.db2.gz AKSUAVIKLTVEKC-IUCAKERBSA-N 2 1 224.270 1.854 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1C(F)(F)F ZINC000629561776 361456297 /nfs/dbraw/zinc/45/62/97/361456297.db2.gz JGZHHOKESWXCBW-UWVGGRQHSA-N 2 1 236.281 1.856 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000629647020 361535228 /nfs/dbraw/zinc/53/52/28/361535228.db2.gz JHNJPXGLFFIOIC-ZYHUDNBSSA-N 2 1 210.321 1.002 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1=CCCOC1 ZINC000629646808 361535454 /nfs/dbraw/zinc/53/54/54/361535454.db2.gz FDQRENKHNGAKRU-PWSUYJOCSA-N 2 1 210.321 1.002 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC1=CCCOC1)C2 ZINC000629649838 361546754 /nfs/dbraw/zinc/54/67/54/361546754.db2.gz HYLDUKPWKQVKHZ-CHWSQXEVSA-N 2 1 222.332 1.146 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1=CCCOC1)C2 ZINC000629649838 361546757 /nfs/dbraw/zinc/54/67/57/361546757.db2.gz HYLDUKPWKQVKHZ-CHWSQXEVSA-N 2 1 222.332 1.146 20 0 BDADMP Cn1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000629652224 361549579 /nfs/dbraw/zinc/54/95/79/361549579.db2.gz YGOFKFGUCFCKGL-UHFFFAOYSA-N 2 1 209.337 1.442 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]C1 ZINC000629653017 361551143 /nfs/dbraw/zinc/55/11/43/361551143.db2.gz FDUPQLXEYHKMKW-AGIUHOORSA-N 2 1 240.416 1.956 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000629652669 361551709 /nfs/dbraw/zinc/55/17/09/361551709.db2.gz BWNQORUICKRRMX-KBPBESRZSA-N 2 1 242.407 1.981 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629651425 361555990 /nfs/dbraw/zinc/55/59/90/361555990.db2.gz FXCAHQFNJNHWNY-YPMHNXCESA-N 2 1 224.348 1.535 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629651425 361555993 /nfs/dbraw/zinc/55/59/93/361555993.db2.gz FXCAHQFNJNHWNY-YPMHNXCESA-N 2 1 224.348 1.535 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629651452 361557440 /nfs/dbraw/zinc/55/74/40/361557440.db2.gz GOWXTRKZZCFJAY-LLVKDONJSA-N 2 1 207.321 1.066 20 0 BDADMP [NH3+]CCCOCC[NH2+]Cc1ncc(Cl)s1 ZINC000629677972 361600934 /nfs/dbraw/zinc/60/09/34/361600934.db2.gz JSSCINVTLNDWQM-UHFFFAOYSA-N 2 1 249.767 1.252 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](CCF)C2)CC[NH2+]1 ZINC000629666480 361587436 /nfs/dbraw/zinc/58/74/36/361587436.db2.gz REMFRRTWIXWUHB-AGIUHOORSA-N 2 1 244.354 1.435 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000629666477 361587796 /nfs/dbraw/zinc/58/77/96/361587796.db2.gz REHWXWCSZHZZRZ-GJZGRUSLSA-N 2 1 248.370 1.697 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629668708 361588925 /nfs/dbraw/zinc/58/89/25/361588925.db2.gz JEFSNBXWYFEHQI-MELADBBJSA-N 2 1 240.391 1.454 20 0 BDADMP FC(F)(F)CCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000310036589 491159849 /nfs/dbraw/zinc/15/98/49/491159849.db2.gz UMCSEHQUQBDSGZ-UWVGGRQHSA-N 2 1 236.281 1.870 20 0 BDADMP COC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000448555566 201260633 /nfs/dbraw/zinc/26/06/33/201260633.db2.gz MQKNAONRSGPCRY-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000448555566 201260635 /nfs/dbraw/zinc/26/06/35/201260635.db2.gz MQKNAONRSGPCRY-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000435388717 201268459 /nfs/dbraw/zinc/26/84/59/201268459.db2.gz GWEIRQQMOCSVOY-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc21 ZINC000132086154 181342527 /nfs/dbraw/zinc/34/25/27/181342527.db2.gz BIWBCXLRUHKBDH-RLNQVHQUSA-N 2 1 245.370 1.991 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000155820456 201354018 /nfs/dbraw/zinc/35/40/18/201354018.db2.gz YVOLLRASIUISTF-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000155820456 201354021 /nfs/dbraw/zinc/35/40/21/201354021.db2.gz YVOLLRASIUISTF-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000155820456 201354025 /nfs/dbraw/zinc/35/40/25/201354025.db2.gz YVOLLRASIUISTF-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000437782782 201372246 /nfs/dbraw/zinc/37/22/46/201372246.db2.gz HCGJOALJKUHSFE-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP O=c1[nH]cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623777754 363890686 /nfs/dbraw/zinc/89/06/86/363890686.db2.gz PTLZUADNEAWOOQ-STQMWFEESA-N 2 1 247.342 1.504 20 0 BDADMP O=c1[nH]cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623777754 363890690 /nfs/dbraw/zinc/89/06/90/363890690.db2.gz PTLZUADNEAWOOQ-STQMWFEESA-N 2 1 247.342 1.504 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C)[nH+]c(C)n1 ZINC000630526176 364216218 /nfs/dbraw/zinc/21/62/18/364216218.db2.gz ATCVMGYYUKMKKF-WDEREUQCSA-N 2 1 220.320 1.646 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NC3CC[NH2+]CC3)c2c1C ZINC000630552580 364246857 /nfs/dbraw/zinc/24/68/57/364246857.db2.gz JXHNSCLBDIVMNX-UHFFFAOYSA-N 2 1 245.330 1.739 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000574188350 365006977 /nfs/dbraw/zinc/00/69/77/365006977.db2.gz BBJVXDOILGNKQP-JSGCOSHPSA-N 3 1 239.407 1.306 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000034492678 181381537 /nfs/dbraw/zinc/38/15/37/181381537.db2.gz UVORGVYHGZVQCX-GFCCVEGCSA-N 2 1 205.305 1.567 20 0 BDADMP c1ccc2c(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)ccnc2c1 ZINC000574544046 365087813 /nfs/dbraw/zinc/08/78/13/365087813.db2.gz BXQKTTAKRSQJRX-NHAGDIPZSA-N 2 1 239.322 1.542 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442926508 193005039 /nfs/dbraw/zinc/00/50/39/193005039.db2.gz YVHLPOMWIGACKV-LLVKDONJSA-N 2 1 222.336 1.279 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442926508 193005044 /nfs/dbraw/zinc/00/50/44/193005044.db2.gz YVHLPOMWIGACKV-LLVKDONJSA-N 2 1 222.336 1.279 20 0 BDADMP CC[C@H]1C[N@@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000574807132 365147352 /nfs/dbraw/zinc/14/73/52/365147352.db2.gz PMAJDCLDVZDZIC-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H]1C[NH+](C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000574807132 365147357 /nfs/dbraw/zinc/14/73/57/365147357.db2.gz PMAJDCLDVZDZIC-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@@H]1C[N@@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000574807135 365147832 /nfs/dbraw/zinc/14/78/32/365147832.db2.gz PMAJDCLDVZDZIC-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@@H]1C[NH+](C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000574807135 365147835 /nfs/dbraw/zinc/14/78/35/365147835.db2.gz PMAJDCLDVZDZIC-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccnn1C ZINC000192250952 365303018 /nfs/dbraw/zinc/30/30/18/365303018.db2.gz LQOZKRHEKXSACH-NEPJUHHUSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccnn1C ZINC000192250952 365303041 /nfs/dbraw/zinc/30/30/41/365303041.db2.gz LQOZKRHEKXSACH-NEPJUHHUSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192457931 365382563 /nfs/dbraw/zinc/38/25/63/365382563.db2.gz KKXDPIRBLHZGIG-BXUZGUMPSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+]CCC[N@@H+](CCCO)Cc1ccccc1 ZINC000575928665 365418256 /nfs/dbraw/zinc/41/82/56/365418256.db2.gz VMVRIWQCCPLZAS-UHFFFAOYSA-N 2 1 236.359 1.481 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cc2ccccc2[nH]c1=O ZINC000576107217 365488316 /nfs/dbraw/zinc/48/83/16/365488316.db2.gz DZKHNUJSWDESPF-UHFFFAOYSA-N 2 1 245.326 1.721 20 0 BDADMP COCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702432 367140232 /nfs/dbraw/zinc/14/02/32/367140232.db2.gz ZRNOQLKCFAGNSP-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000381053200 367344363 /nfs/dbraw/zinc/34/43/63/367344363.db2.gz IMBHQSGNHAZSJF-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000581185262 367287054 /nfs/dbraw/zinc/28/70/54/367287054.db2.gz NMOUJQFOKYAYEP-UONOGXRCSA-N 2 1 237.391 1.546 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000381908682 367469789 /nfs/dbraw/zinc/46/97/89/367469789.db2.gz AIJVORZDXGFITB-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382004877 367478662 /nfs/dbraw/zinc/47/86/62/367478662.db2.gz ARVHBDMTCHVDJX-USZNOCQGSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382004877 367478664 /nfs/dbraw/zinc/47/86/64/367478664.db2.gz ARVHBDMTCHVDJX-USZNOCQGSA-N 2 1 214.328 1.807 20 0 BDADMP FC1(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000381604290 367436059 /nfs/dbraw/zinc/43/60/59/367436059.db2.gz PIDYWWWIGYVAGD-NSHDSACASA-N 2 1 212.312 1.564 20 0 BDADMP FC1(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000381604290 367436064 /nfs/dbraw/zinc/43/60/64/367436064.db2.gz PIDYWWWIGYVAGD-NSHDSACASA-N 2 1 212.312 1.564 20 0 BDADMP C[NH2+]CCSCC[C@H]1CCCC[N@H+]1C ZINC000382643467 367550062 /nfs/dbraw/zinc/55/00/62/367550062.db2.gz GTSNYZPXDONOHQ-LLVKDONJSA-N 2 1 216.394 1.813 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCC[C@@H]3O)C[C@@H]12 ZINC000383264906 367609150 /nfs/dbraw/zinc/60/91/50/367609150.db2.gz GLSZTQZNFPHBPQ-ITGHMWBKSA-N 2 1 238.375 1.207 20 0 BDADMP C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000383613680 367644492 /nfs/dbraw/zinc/64/44/92/367644492.db2.gz TVXPOSGGZDYREU-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383613680 367644497 /nfs/dbraw/zinc/64/44/97/367644497.db2.gz TVXPOSGGZDYREU-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](CC)C1CCCCC1 ZINC000383517582 367631607 /nfs/dbraw/zinc/63/16/07/367631607.db2.gz HSFQIPRQCKMHDS-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CCCCC1 ZINC000383517582 367631610 /nfs/dbraw/zinc/63/16/10/367631610.db2.gz HSFQIPRQCKMHDS-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CCCCC1 ZINC000383517582 367631613 /nfs/dbraw/zinc/63/16/13/367631613.db2.gz HSFQIPRQCKMHDS-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)C1CCCCC1 ZINC000383517582 367631614 /nfs/dbraw/zinc/63/16/14/367631614.db2.gz HSFQIPRQCKMHDS-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C1CCCCC1 ZINC000383517582 367631617 /nfs/dbraw/zinc/63/16/17/367631617.db2.gz HSFQIPRQCKMHDS-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000384566459 367700699 /nfs/dbraw/zinc/70/06/99/367700699.db2.gz ILPPGGHIPBEFDW-SCVCMEIPSA-N 2 1 212.337 1.236 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000384179741 367674570 /nfs/dbraw/zinc/67/45/70/367674570.db2.gz YZDDZPNFGMZSRS-PQAZSJQKSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000384545344 367699116 /nfs/dbraw/zinc/69/91/16/367699116.db2.gz HJMHFVRBNOCQAI-XJFOESAGSA-N 2 1 242.407 1.713 20 0 BDADMP COC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000566089791 325993178 /nfs/dbraw/zinc/99/31/78/325993178.db2.gz YCXPPUKZWQLXQP-IJLUTSLNSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000385248986 367813589 /nfs/dbraw/zinc/81/35/89/367813589.db2.gz WRVUTMPYGWPXAN-FVCCEPFGSA-N 2 1 242.407 1.854 20 0 BDADMP Cc1cnccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000385041705 367777243 /nfs/dbraw/zinc/77/72/43/367777243.db2.gz OCJVQOWEBUDJMT-JSGCOSHPSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000385071756 367782603 /nfs/dbraw/zinc/78/26/03/367782603.db2.gz WNTHGCFEZIBAQU-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000385071756 367782608 /nfs/dbraw/zinc/78/26/08/367782608.db2.gz WNTHGCFEZIBAQU-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385999322 367895664 /nfs/dbraw/zinc/89/56/64/367895664.db2.gz KIZAVDJXCZAMKT-RQJABVFESA-N 2 1 239.407 1.589 20 0 BDADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCCN1 ZINC000386039352 367901737 /nfs/dbraw/zinc/90/17/37/367901737.db2.gz SJVKPKYWFFFOCI-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCCN1 ZINC000386039353 367901936 /nfs/dbraw/zinc/90/19/36/367901936.db2.gz SJVKPKYWFFFOCI-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386620921 368002919 /nfs/dbraw/zinc/00/29/19/368002919.db2.gz YEGPHOPVBTWZRV-STQMWFEESA-N 2 1 227.396 1.447 20 0 BDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(N)=[NH2+] ZINC000066245813 368642655 /nfs/dbraw/zinc/64/26/55/368642655.db2.gz UATLUSYAJJHBPJ-SNVBAGLBSA-N 2 1 212.341 1.124 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403677 368880038 /nfs/dbraw/zinc/88/00/38/368880038.db2.gz FZHHCERJGNSKHU-GRYCIOLGSA-N 3 1 213.369 1.186 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](NCC[NH+]2CCCCC2)C1 ZINC000086403689 368880406 /nfs/dbraw/zinc/88/04/06/368880406.db2.gz JBSXVYPGKVWMEN-OLZOCXBDSA-N 2 1 225.380 1.332 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@H](C)O1 ZINC000623657135 368997914 /nfs/dbraw/zinc/99/79/14/368997914.db2.gz KIPXFXNWIXXATD-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656313 368993221 /nfs/dbraw/zinc/99/32/21/368993221.db2.gz RVPQXHNMDJEUBI-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656313 368993225 /nfs/dbraw/zinc/99/32/25/368993225.db2.gz RVPQXHNMDJEUBI-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP C[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631839843 369187421 /nfs/dbraw/zinc/18/74/21/369187421.db2.gz LPPJVGODMSWIEA-ZIAGYGMSSA-N 2 1 248.370 1.982 20 0 BDADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCc1cncn1C ZINC000459291159 203248126 /nfs/dbraw/zinc/24/81/26/203248126.db2.gz CNFAOFMHZBWZQN-NEPJUHHUSA-N 2 1 237.347 1.462 20 0 BDADMP COc1ccc(OC)c(C[N@H+](C)CCC[NH3+])c1 ZINC000156853611 326245316 /nfs/dbraw/zinc/24/53/16/326245316.db2.gz QQWHCFAWGXUZOW-UHFFFAOYSA-N 2 1 238.331 1.484 20 0 BDADMP COc1ccc(OC)c(C[N@@H+](C)CCC[NH3+])c1 ZINC000156853611 326245319 /nfs/dbraw/zinc/24/53/19/326245319.db2.gz QQWHCFAWGXUZOW-UHFFFAOYSA-N 2 1 238.331 1.484 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)CN(C)C ZINC000459551605 203299600 /nfs/dbraw/zinc/29/96/00/203299600.db2.gz SPHBMARSNMRMTC-UHFFFAOYSA-N 2 1 238.379 1.511 20 0 BDADMP Cc1ncc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459735043 203348006 /nfs/dbraw/zinc/34/80/06/203348006.db2.gz PJOZRMXAQZCXPP-ZDUSSCGKSA-N 2 1 248.374 1.607 20 0 BDADMP CC[C@H](COC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459779628 203365551 /nfs/dbraw/zinc/36/55/51/203365551.db2.gz LLLNEIVVSCZMHG-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@H]1C)C1CCCC1 ZINC000631862776 369583631 /nfs/dbraw/zinc/58/36/31/369583631.db2.gz SOPGTKWPPAPIQI-RAIGVLPGSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H]([NH3+])C[C@H]1C)C1CCCC1 ZINC000631862776 369583633 /nfs/dbraw/zinc/58/36/33/369583633.db2.gz SOPGTKWPPAPIQI-RAIGVLPGSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000158268456 326314110 /nfs/dbraw/zinc/31/41/10/326314110.db2.gz ZDFKSALIRNTBNL-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000252866244 370138684 /nfs/dbraw/zinc/13/86/84/370138684.db2.gz QFHPTXPZFMQHIQ-WCFLWFBJSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000252866244 370138687 /nfs/dbraw/zinc/13/86/87/370138687.db2.gz QFHPTXPZFMQHIQ-WCFLWFBJSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cc(C)n(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)n1 ZINC000631867401 370228170 /nfs/dbraw/zinc/22/81/70/370228170.db2.gz SWHKMOQSYKHTSN-KGLIPLIRSA-N 2 1 248.374 1.232 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000621774667 370521711 /nfs/dbraw/zinc/52/17/11/370521711.db2.gz ZWJULQJOVJFNLR-WCQYABFASA-N 2 1 236.363 1.115 20 0 BDADMP CC(C)OCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621777340 370525649 /nfs/dbraw/zinc/52/56/49/370525649.db2.gz AWRVAVAJAIXPSS-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621777340 370525654 /nfs/dbraw/zinc/52/56/54/370525654.db2.gz AWRVAVAJAIXPSS-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CCn1nccc1CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000621776742 370525967 /nfs/dbraw/zinc/52/59/67/370525967.db2.gz VCGABAKZYOWMOG-GFCCVEGCSA-N 2 1 238.379 1.409 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC1CCC1)C2 ZINC000621783438 370533365 /nfs/dbraw/zinc/53/33/65/370533365.db2.gz BLBYCVNFZMQEIT-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP CCn1cc(CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621783417 370534341 /nfs/dbraw/zinc/53/43/41/370534341.db2.gz BCWRKDIEIWJGDX-UONOGXRCSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621783417 370534344 /nfs/dbraw/zinc/53/43/44/370534344.db2.gz BCWRKDIEIWJGDX-UONOGXRCSA-N 2 1 248.374 1.259 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1ncc[nH]1 ZINC000631878834 370575291 /nfs/dbraw/zinc/57/52/91/370575291.db2.gz BBXIRTGDWVGFQW-UHFFFAOYSA-N 2 1 222.336 1.231 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ncc[nH]1 ZINC000631878834 370575298 /nfs/dbraw/zinc/57/52/98/370575298.db2.gz BBXIRTGDWVGFQW-UHFFFAOYSA-N 2 1 222.336 1.231 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CC1(C)C ZINC000568763971 326376198 /nfs/dbraw/zinc/37/61/98/326376198.db2.gz LQFCWRNNBBUYHD-GHMZBOCLSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CC1(C)C ZINC000568763971 326376201 /nfs/dbraw/zinc/37/62/01/326376201.db2.gz LQFCWRNNBBUYHD-GHMZBOCLSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000568763971 326376202 /nfs/dbraw/zinc/37/62/02/326376202.db2.gz LQFCWRNNBBUYHD-GHMZBOCLSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000568763971 326376204 /nfs/dbraw/zinc/37/62/04/326376204.db2.gz LQFCWRNNBBUYHD-GHMZBOCLSA-N 2 1 214.353 1.029 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623824045 371108328 /nfs/dbraw/zinc/10/83/28/371108328.db2.gz VMGYQAGMNXPKJI-XDQVBPFNSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000230463908 371914972 /nfs/dbraw/zinc/91/49/72/371914972.db2.gz JAJJHFKDIIARNX-MBJXGIAVSA-N 2 1 238.375 1.242 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCO[C@@H]1C ZINC000631822220 372584546 /nfs/dbraw/zinc/58/45/46/372584546.db2.gz WVOQBYIPPWCDDK-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCO[C@@H]1C ZINC000631822168 372598373 /nfs/dbraw/zinc/59/83/73/372598373.db2.gz UZFHFARMNHNHIY-JHJVBQTASA-N 2 1 228.380 1.717 20 0 BDADMP CCC[N@@H+](C[C@H]1CCO[C@H]1C)C1CC[NH2+]CC1 ZINC000631822846 372600088 /nfs/dbraw/zinc/60/00/88/372600088.db2.gz QANSYYXTBHQSML-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1OCC[C@@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000631828015 372608957 /nfs/dbraw/zinc/60/89/57/372608957.db2.gz BZIFNICWOITAGH-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H]1CCCCO1 ZINC000631828975 372610430 /nfs/dbraw/zinc/61/04/30/372610430.db2.gz CWHLSIBVSIGNJX-ROKHWSDSSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H]1CCCCO1 ZINC000631828975 372610438 /nfs/dbraw/zinc/61/04/38/372610438.db2.gz CWHLSIBVSIGNJX-ROKHWSDSSA-N 2 1 238.375 1.759 20 0 BDADMP COCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631859274 372658160 /nfs/dbraw/zinc/65/81/60/372658160.db2.gz LWYYVEOGGMBXHQ-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP COCCCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631859274 372658164 /nfs/dbraw/zinc/65/81/64/372658164.db2.gz LWYYVEOGGMBXHQ-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000631826399 372605799 /nfs/dbraw/zinc/60/57/99/372605799.db2.gz MMQQCWBYTCLTFW-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381756754 374143664 /nfs/dbraw/zinc/14/36/64/374143664.db2.gz SJGUBRAGYIHJDD-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381756754 374143669 /nfs/dbraw/zinc/14/36/69/374143669.db2.gz SJGUBRAGYIHJDD-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cn[nH]c1 ZINC000424378659 206040514 /nfs/dbraw/zinc/04/05/14/206040514.db2.gz NZXGBTHTTJJBAO-WPRPVWTQSA-N 2 1 244.289 1.305 20 0 BDADMP C[NH+](CC(O)C[N@H+](C)CC1CC1)CC1CC1 ZINC000194423813 206089795 /nfs/dbraw/zinc/08/97/95/206089795.db2.gz RGHFVVDUUOMIML-UHFFFAOYSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@H](C)[NH+](C)CC(O)C[N@H+](C)[C@@H](C)CC ZINC000194719598 206107115 /nfs/dbraw/zinc/10/71/15/206107115.db2.gz LYSTYURGFWEYID-RYUDHWBXSA-N 2 1 230.396 1.808 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CC[C@H]1CCOC1 ZINC000220647168 134311911 /nfs/dbraw/zinc/31/19/11/134311911.db2.gz ZHXNBOUWMJHTKK-LBPRGKRZSA-N 2 1 223.320 1.208 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367640318 170382341 /nfs/dbraw/zinc/38/23/41/170382341.db2.gz ZSRWTYOQHLDPHD-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123678852 170391904 /nfs/dbraw/zinc/39/19/04/170391904.db2.gz VQBOGSHSWKRVFM-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123678852 170391906 /nfs/dbraw/zinc/39/19/06/170391906.db2.gz VQBOGSHSWKRVFM-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123678852 170391908 /nfs/dbraw/zinc/39/19/08/170391908.db2.gz VQBOGSHSWKRVFM-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123678852 170391910 /nfs/dbraw/zinc/39/19/10/170391910.db2.gz VQBOGSHSWKRVFM-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP OCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413931 183050648 /nfs/dbraw/zinc/05/06/48/183050648.db2.gz ITQXSVLRZJEIJO-MGPQQGTHSA-N 2 1 238.375 1.175 20 0 BDADMP OCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413931 183050650 /nfs/dbraw/zinc/05/06/50/183050650.db2.gz ITQXSVLRZJEIJO-MGPQQGTHSA-N 2 1 238.375 1.175 20 0 BDADMP OCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413931 183050653 /nfs/dbraw/zinc/05/06/53/183050653.db2.gz ITQXSVLRZJEIJO-MGPQQGTHSA-N 2 1 238.375 1.175 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503683 169008085 /nfs/dbraw/zinc/00/80/85/169008085.db2.gz MJCVXOHSJFQLFZ-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000353509717 183139020 /nfs/dbraw/zinc/13/90/20/183139020.db2.gz LGPJJDNBJVIJSP-MELADBBJSA-N 2 1 238.375 1.221 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037097931 169075780 /nfs/dbraw/zinc/07/57/80/169075780.db2.gz JVYVYUUJBCVXCX-UHFFFAOYSA-N 2 1 235.331 1.426 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(C)COC2)C1 ZINC000336678675 169079112 /nfs/dbraw/zinc/07/91/12/169079112.db2.gz BVCSIWYCAVJHQS-CYBMUJFWSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336678675 169079115 /nfs/dbraw/zinc/07/91/15/169079115.db2.gz BVCSIWYCAVJHQS-CYBMUJFWSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336678675 169079116 /nfs/dbraw/zinc/07/91/16/169079116.db2.gz BVCSIWYCAVJHQS-CYBMUJFWSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000353073197 169127041 /nfs/dbraw/zinc/12/70/41/169127041.db2.gz ORMHYOQULKTYON-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000353073197 169127044 /nfs/dbraw/zinc/12/70/44/169127044.db2.gz ORMHYOQULKTYON-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000353073197 169127046 /nfs/dbraw/zinc/12/70/46/169127046.db2.gz ORMHYOQULKTYON-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP O[C@H]1CCC[N@@H+](CCCn2ccnc2)CC1 ZINC000292983022 183234140 /nfs/dbraw/zinc/23/41/40/183234140.db2.gz BMSZLTXERRGRLA-LBPRGKRZSA-N 2 1 223.320 1.120 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)CC)CC1 ZINC000304434877 169186294 /nfs/dbraw/zinc/18/62/94/169186294.db2.gz RMMHPTGNZUTGQT-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)C(C)C)CC1 ZINC000336721990 169187540 /nfs/dbraw/zinc/18/75/40/169187540.db2.gz XTUPBSKRJKGYOY-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCCN1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000336652789 169190145 /nfs/dbraw/zinc/19/01/45/169190145.db2.gz JAOPWBFRRLYORV-LBPRGKRZSA-N 2 1 227.396 1.578 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cocn3)C2)n1 ZINC000276496416 183326469 /nfs/dbraw/zinc/32/64/69/183326469.db2.gz WUPIZEIJWLOBDI-SNVBAGLBSA-N 2 1 232.287 1.777 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3cocn3)C2)n1 ZINC000276496416 183326472 /nfs/dbraw/zinc/32/64/72/183326472.db2.gz WUPIZEIJWLOBDI-SNVBAGLBSA-N 2 1 232.287 1.777 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000353118055 169197153 /nfs/dbraw/zinc/19/71/53/169197153.db2.gz KQULEZVMONCQHB-CQSZACIVSA-N 2 1 238.375 1.797 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000353118055 169197155 /nfs/dbraw/zinc/19/71/55/169197155.db2.gz KQULEZVMONCQHB-CQSZACIVSA-N 2 1 238.375 1.797 20 0 BDADMP c1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c[nH]1 ZINC000360790079 183346703 /nfs/dbraw/zinc/34/67/03/183346703.db2.gz AJHPPZFWZDHEKT-QLFBSQMISA-N 2 1 245.370 1.931 20 0 BDADMP c1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c[nH]1 ZINC000360790079 183346707 /nfs/dbraw/zinc/34/67/07/183346707.db2.gz AJHPPZFWZDHEKT-QLFBSQMISA-N 2 1 245.370 1.931 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c[nH]1 ZINC000360790079 183346712 /nfs/dbraw/zinc/34/67/12/183346712.db2.gz AJHPPZFWZDHEKT-QLFBSQMISA-N 2 1 245.370 1.931 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c[nH]1 ZINC000360790079 183346714 /nfs/dbraw/zinc/34/67/14/183346714.db2.gz AJHPPZFWZDHEKT-QLFBSQMISA-N 2 1 245.370 1.931 20 0 BDADMP c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000127699525 183395391 /nfs/dbraw/zinc/39/53/91/183395391.db2.gz NHUGJRHRYWUHQN-HUUCEWRRSA-N 2 1 245.370 1.841 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182192190 134342681 /nfs/dbraw/zinc/34/26/81/134342681.db2.gz UCXHGHSCVIZLOD-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451291 134347578 /nfs/dbraw/zinc/34/75/78/134347578.db2.gz VBKYCHRLJVRKNW-RWMBFGLXSA-N 2 1 240.416 1.956 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C[C@H]1CCCOC1 ZINC000224899905 134349198 /nfs/dbraw/zinc/34/91/98/134349198.db2.gz IZVLIFXTEZFMNA-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C[C@H]1CCCOC1 ZINC000224899905 134349199 /nfs/dbraw/zinc/34/91/99/134349199.db2.gz IZVLIFXTEZFMNA-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP C[C@H](CNC1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000226319538 134360445 /nfs/dbraw/zinc/36/04/45/134360445.db2.gz HNXLRVKTAVKTPV-LLVKDONJSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000087646413 383856959 /nfs/dbraw/zinc/85/69/59/383856959.db2.gz TYDXRZGMZXCJLW-MNOVXSKESA-N 2 1 208.305 1.930 20 0 BDADMP CCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908719 383920167 /nfs/dbraw/zinc/92/01/67/383920167.db2.gz BOMXMNITEGNHQL-QJPTWQEYSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)[C@@H](C)O1 ZINC000401732468 383884648 /nfs/dbraw/zinc/88/46/48/383884648.db2.gz PEBQQQCWMKXWDV-VSSNEEPJSA-N 2 1 212.337 1.140 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224589684 383900924 /nfs/dbraw/zinc/90/09/24/383900924.db2.gz QXBIWPIMCXRVQO-SRVKXCTJSA-N 2 1 214.353 1.220 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000113515493 383992814 /nfs/dbraw/zinc/99/28/14/383992814.db2.gz SWHRMLJCYZXOFU-HIFRSBDPSA-N 2 1 248.370 1.604 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070912013 383959503 /nfs/dbraw/zinc/95/95/03/383959503.db2.gz UKRLMLIMHRCOGU-QMMMGPOBSA-N 2 1 210.243 1.610 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070912013 383959507 /nfs/dbraw/zinc/95/95/07/383959507.db2.gz UKRLMLIMHRCOGU-QMMMGPOBSA-N 2 1 210.243 1.610 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643549177 384039423 /nfs/dbraw/zinc/03/94/23/384039423.db2.gz OXUOKQWMJIGKHA-XYJRDEOASA-N 2 1 248.374 1.757 20 0 BDADMP CCOC[C@H]1CCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000313216728 384054800 /nfs/dbraw/zinc/05/48/00/384054800.db2.gz RSTMMMSNHRYIDJ-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1noc(CCC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000517754722 384097438 /nfs/dbraw/zinc/09/74/38/384097438.db2.gz FNMYCAPWGRTPLC-GXSJLCMTSA-N 2 1 238.335 1.122 20 0 BDADMP Cc1noc(CCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000517754722 384097440 /nfs/dbraw/zinc/09/74/40/384097440.db2.gz FNMYCAPWGRTPLC-GXSJLCMTSA-N 2 1 238.335 1.122 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000092299536 384171058 /nfs/dbraw/zinc/17/10/58/384171058.db2.gz UMZOEVSQZZSARG-GFCCVEGCSA-N 2 1 246.354 1.846 20 0 BDADMP C[N@H+](Cc1ccncc1)CC(C)(C)C[NH3+] ZINC000051218188 384237111 /nfs/dbraw/zinc/23/71/11/384237111.db2.gz ZVVDCLWVQVTNMV-UHFFFAOYSA-N 2 1 207.321 1.498 20 0 BDADMP C[N@@H+](Cc1ccncc1)CC(C)(C)C[NH3+] ZINC000051218188 384237114 /nfs/dbraw/zinc/23/71/14/384237114.db2.gz ZVVDCLWVQVTNMV-UHFFFAOYSA-N 2 1 207.321 1.498 20 0 BDADMP CSCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000173522377 384224927 /nfs/dbraw/zinc/22/49/27/384224927.db2.gz GARAJUPMQPWHCO-UHFFFAOYSA-N 2 1 216.394 1.766 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133561425 384253039 /nfs/dbraw/zinc/25/30/39/384253039.db2.gz VJLQTRDDUNBMOP-WOPDTQHZSA-N 2 1 214.353 1.220 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000644166637 384257385 /nfs/dbraw/zinc/25/73/85/384257385.db2.gz BFHOTHCINIFLNK-GGZOMVNGSA-N 2 1 222.336 1.639 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000228538480 384276185 /nfs/dbraw/zinc/27/61/85/384276185.db2.gz WKQWHMVRYXFAFN-GMTAPVOTSA-N 2 1 237.372 1.702 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000228538480 384276190 /nfs/dbraw/zinc/27/61/90/384276190.db2.gz WKQWHMVRYXFAFN-GMTAPVOTSA-N 2 1 237.372 1.702 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)COC)C1 ZINC000173914174 384285160 /nfs/dbraw/zinc/28/51/60/384285160.db2.gz QSLVCISOSCMGOI-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC000173914174 384285164 /nfs/dbraw/zinc/28/51/64/384285164.db2.gz QSLVCISOSCMGOI-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC000173914174 384285173 /nfs/dbraw/zinc/28/51/73/384285173.db2.gz QSLVCISOSCMGOI-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC3(O)CCC3)C2)C1 ZINC000335473945 384289179 /nfs/dbraw/zinc/28/91/79/384289179.db2.gz FWAYGLLNKLFXNB-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC3(O)CCC3)C2)C1 ZINC000335473945 384289188 /nfs/dbraw/zinc/28/91/88/384289188.db2.gz FWAYGLLNKLFXNB-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC3(O)CCC3)C2)C1 ZINC000335473945 384289191 /nfs/dbraw/zinc/28/91/91/384289191.db2.gz FWAYGLLNKLFXNB-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000361214937 384297274 /nfs/dbraw/zinc/29/72/74/384297274.db2.gz HGWCZQSNAUHRKR-MGPQQGTHSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCF)C[C@H]1C[NH3+] ZINC000397327639 384303261 /nfs/dbraw/zinc/30/32/61/384303261.db2.gz VUABRRKBVBQKRR-GMTAPVOTSA-N 2 1 202.317 1.651 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000228858850 384345208 /nfs/dbraw/zinc/34/52/08/384345208.db2.gz ZHLRSKLQCTZZLG-GXTWGEPZSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095068388 384329848 /nfs/dbraw/zinc/32/98/48/384329848.db2.gz OPZOICJULBXZOZ-WDEREUQCSA-N 2 1 205.305 1.342 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccns1 ZINC000405436445 384330860 /nfs/dbraw/zinc/33/08/60/384330860.db2.gz CGJWCTVXZBPEEF-RKDXNWHRSA-N 2 1 211.334 1.359 20 0 BDADMP C[C@@H]([NH3+])C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000564455125 384393130 /nfs/dbraw/zinc/39/31/30/384393130.db2.gz WZENPJOZDQXAHT-GFCCVEGCSA-N 2 1 234.343 1.629 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccnc1 ZINC000405534005 384412842 /nfs/dbraw/zinc/41/28/42/384412842.db2.gz ZDCLIWJWSZYHEQ-GHMZBOCLSA-N 2 1 205.305 1.297 20 0 BDADMP Cc1csc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084220282 384377460 /nfs/dbraw/zinc/37/74/60/384377460.db2.gz PPSUVLNZMOZAAS-ZJUUUORDSA-N 2 1 225.361 1.669 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000084216411 384377875 /nfs/dbraw/zinc/37/78/75/384377875.db2.gz ROUSAOOXFRIRJD-NXEZZACHSA-N 2 1 225.361 1.750 20 0 BDADMP CC(C)C[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568166943 384444321 /nfs/dbraw/zinc/44/43/21/384444321.db2.gz XTBUGXXXUZCXSA-LBPRGKRZSA-N 2 1 236.363 1.966 20 0 BDADMP Cc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000229095221 384431539 /nfs/dbraw/zinc/43/15/39/384431539.db2.gz KZVZNVXTRVDULK-CABZTGNLSA-N 2 1 234.347 1.515 20 0 BDADMP C[C@H]1CSC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335660321 384461221 /nfs/dbraw/zinc/46/12/21/384461221.db2.gz CRDMLIOEUPJRPY-CMPLNLGQSA-N 2 1 226.389 1.589 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCSC3)C[C@@H]21 ZINC000224622932 384480601 /nfs/dbraw/zinc/48/06/01/384480601.db2.gz LFABFNHBEBXYNW-QNWHQSFQSA-N 2 1 240.416 1.799 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000647176655 384498910 /nfs/dbraw/zinc/49/89/10/384498910.db2.gz SMFIUEYWWOVVBH-DGCLKSJQSA-N 2 1 238.375 1.770 20 0 BDADMP CC(C)CC[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000372847077 384534851 /nfs/dbraw/zinc/53/48/51/384534851.db2.gz MIERYPRZZJPVNG-LLVKDONJSA-N 2 1 207.321 1.834 20 0 BDADMP COC1(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000319853987 384514786 /nfs/dbraw/zinc/51/47/86/384514786.db2.gz LGMOUGNTDUVWLS-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP COCC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000643057534 384562021 /nfs/dbraw/zinc/56/20/21/384562021.db2.gz OOLBDFIYRWBOJP-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCF)C1 ZINC000151431368 384573911 /nfs/dbraw/zinc/57/39/11/384573911.db2.gz NKQFPPZYPPPWKR-NSHDSACASA-N 2 1 202.317 1.620 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCF)C1 ZINC000151431368 384573922 /nfs/dbraw/zinc/57/39/22/384573922.db2.gz NKQFPPZYPPPWKR-NSHDSACASA-N 2 1 202.317 1.620 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCF)C1 ZINC000151431368 384573930 /nfs/dbraw/zinc/57/39/30/384573930.db2.gz NKQFPPZYPPPWKR-NSHDSACASA-N 2 1 202.317 1.620 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066833 384579162 /nfs/dbraw/zinc/57/91/62/384579162.db2.gz UJPLQVQKTJPVOE-BFHYXJOUSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066833 384579173 /nfs/dbraw/zinc/57/91/73/384579173.db2.gz UJPLQVQKTJPVOE-BFHYXJOUSA-N 3 1 237.391 1.060 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])o1 ZINC000517935777 384582552 /nfs/dbraw/zinc/58/25/52/384582552.db2.gz FTTBYJYPPKJETH-RKDXNWHRSA-N 2 1 240.303 1.282 20 0 BDADMP CC[N@@H+](CCC(=O)OC)CCn1cc[nH+]c1C ZINC000050053676 384586175 /nfs/dbraw/zinc/58/61/75/384586175.db2.gz MZTVZYISLCHRIQ-UHFFFAOYSA-N 2 1 239.319 1.077 20 0 BDADMP CC[N@H+](CCC(=O)OC)CCn1cc[nH+]c1C ZINC000050053676 384586183 /nfs/dbraw/zinc/58/61/83/384586183.db2.gz MZTVZYISLCHRIQ-UHFFFAOYSA-N 2 1 239.319 1.077 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cncn2C)C[C@H]1C[NH3+] ZINC000397414455 384600078 /nfs/dbraw/zinc/60/00/78/384600078.db2.gz XILXWYUNYQLAMY-IJLUTSLNSA-N 2 1 236.363 1.225 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367601844 384643804 /nfs/dbraw/zinc/64/38/04/384643804.db2.gz PWQNXLLAKGCHPE-MCIONIFRSA-N 2 1 248.374 1.681 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534567 384645600 /nfs/dbraw/zinc/64/56/00/384645600.db2.gz QPXHWYJQJOATAR-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534567 384645605 /nfs/dbraw/zinc/64/56/05/384645605.db2.gz QPXHWYJQJOATAR-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000335913879 384678013 /nfs/dbraw/zinc/67/80/13/384678013.db2.gz ZGAQCJKOBNZBNA-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547179 384738064 /nfs/dbraw/zinc/73/80/64/384738064.db2.gz PZALJPALUJBDJS-QJPTWQEYSA-N 3 1 213.369 1.092 20 0 BDADMP Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cn1 ZINC000647548089 384750503 /nfs/dbraw/zinc/75/05/03/384750503.db2.gz UZZNACITLNASAF-LBPRGKRZSA-N 2 1 234.347 1.101 20 0 BDADMP C(COCC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408720 384768784 /nfs/dbraw/zinc/76/87/84/384768784.db2.gz KNYASIFKNTYDDT-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2CC(O)C2)CC[N@H+]1C ZINC000309789854 384833941 /nfs/dbraw/zinc/83/39/41/384833941.db2.gz OYMMAGZTPAKKHO-CQLXCSJHSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H](C[NH2+]C1CC(OC)C1)[NH+]1CCCC1 ZINC000310021343 384786623 /nfs/dbraw/zinc/78/66/23/384786623.db2.gz NLQAMVKXYAZNKP-CPCZMJQVSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000306617096 384788029 /nfs/dbraw/zinc/78/80/29/384788029.db2.gz QRKAZHKPMHMOIS-GARJFASQSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000306617095 384788170 /nfs/dbraw/zinc/78/81/70/384788170.db2.gz QRKAZHKPMHMOIS-DCAQKATOSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H]1C[N@@H+](CCCc2cncn2C)C[C@H]1C ZINC000518212892 384801029 /nfs/dbraw/zinc/80/10/29/384801029.db2.gz QTUGBQMTFHLHOV-TXEJJXNPSA-N 2 1 221.348 1.941 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358262815 384872447 /nfs/dbraw/zinc/87/24/47/384872447.db2.gz XJFNSTGRNQORIU-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358262815 384872454 /nfs/dbraw/zinc/87/24/54/384872454.db2.gz XJFNSTGRNQORIU-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)nc1 ZINC000163417795 384884408 /nfs/dbraw/zinc/88/44/08/384884408.db2.gz MHWZGAXTMRKIOR-CHWSQXEVSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000086110779 384861697 /nfs/dbraw/zinc/86/16/97/384861697.db2.gz PCXMDSXROJLMMW-GZMMTYOYSA-N 2 1 223.320 1.603 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000086110779 384861703 /nfs/dbraw/zinc/86/17/03/384861703.db2.gz PCXMDSXROJLMMW-GZMMTYOYSA-N 2 1 223.320 1.603 20 0 BDADMP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c(C)c1 ZINC000259050718 384953452 /nfs/dbraw/zinc/95/34/52/384953452.db2.gz PUPYVVVJRYMBOD-ZDUSSCGKSA-N 2 1 222.332 1.055 20 0 BDADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000310191860 384890735 /nfs/dbraw/zinc/89/07/35/384890735.db2.gz YWWIRAVTNKDCHL-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000310191860 384890740 /nfs/dbraw/zinc/89/07/40/384890740.db2.gz YWWIRAVTNKDCHL-HZSPNIEDSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000310191860 384890743 /nfs/dbraw/zinc/89/07/43/384890743.db2.gz YWWIRAVTNKDCHL-HZSPNIEDSA-N 3 1 239.407 1.401 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127811635 384916425 /nfs/dbraw/zinc/91/64/25/384916425.db2.gz ZWYLMAQYPNRQTA-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000644513440 384923203 /nfs/dbraw/zinc/92/32/03/384923203.db2.gz CGNKUWOOMRMVIH-CYBMUJFWSA-N 2 1 228.380 1.467 20 0 BDADMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000259214858 384960179 /nfs/dbraw/zinc/96/01/79/384960179.db2.gz XJCYNSHYVGNUHM-CHWSQXEVSA-N 2 1 220.316 1.665 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CO1 ZINC000401870427 384996342 /nfs/dbraw/zinc/99/63/42/384996342.db2.gz BOJCYLBFUMJNOH-USZNOCQGSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CO1 ZINC000401870427 384996348 /nfs/dbraw/zinc/99/63/48/384996348.db2.gz BOJCYLBFUMJNOH-USZNOCQGSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000647207607 385079051 /nfs/dbraw/zinc/07/90/51/385079051.db2.gz BHFRBEJHLDSBDC-ZIHBUVQPSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000340501495 385080881 /nfs/dbraw/zinc/08/08/81/385080881.db2.gz IUUAQBWYFUKVLD-SRVKXCTJSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000340501495 385080885 /nfs/dbraw/zinc/08/08/85/385080885.db2.gz IUUAQBWYFUKVLD-SRVKXCTJSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000156327317 385031659 /nfs/dbraw/zinc/03/16/59/385031659.db2.gz QKULVUDYRQDTFB-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000156327317 385031669 /nfs/dbraw/zinc/03/16/69/385031669.db2.gz QKULVUDYRQDTFB-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+](CCCCO)CC[C@H]1CCCC[NH+]1C ZINC000304313253 385122831 /nfs/dbraw/zinc/12/28/31/385122831.db2.gz NBUVFOPEKJWTRN-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP C[NH+](CCCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000304313253 385122838 /nfs/dbraw/zinc/12/28/38/385122838.db2.gz NBUVFOPEKJWTRN-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP C[NH+](CCCCO)CC[C@H]1CCCC[N@H+]1C ZINC000304313253 385122840 /nfs/dbraw/zinc/12/28/40/385122840.db2.gz NBUVFOPEKJWTRN-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP C[N@@H+](CCOC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000566246067 385130124 /nfs/dbraw/zinc/13/01/24/385130124.db2.gz DIUBPJPHZONGGM-GFCCVEGCSA-N 2 1 244.379 1.099 20 0 BDADMP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000304698540 385141321 /nfs/dbraw/zinc/14/13/21/385141321.db2.gz IYGOUYCMJSWVCA-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000518753913 385106951 /nfs/dbraw/zinc/10/69/51/385106951.db2.gz WUYHYCBTCWGOLK-CHWSQXEVSA-N 2 1 227.396 1.306 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000518753913 385106957 /nfs/dbraw/zinc/10/69/57/385106957.db2.gz WUYHYCBTCWGOLK-CHWSQXEVSA-N 3 1 227.396 1.306 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000518753913 385106963 /nfs/dbraw/zinc/10/69/63/385106963.db2.gz WUYHYCBTCWGOLK-CHWSQXEVSA-N 3 1 227.396 1.306 20 0 BDADMP CN(C)c1nc(NC[C@@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000227666522 385189857 /nfs/dbraw/zinc/18/98/57/385189857.db2.gz YOFIKHHZOJYQAC-MNOVXSKESA-N 2 1 249.362 1.472 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCO)CC[N@H+]1C ZINC000178161830 385194827 /nfs/dbraw/zinc/19/48/27/385194827.db2.gz DAJXDVBFFRSIQM-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291689256 385197289 /nfs/dbraw/zinc/19/72/89/385197289.db2.gz ITNGAKPKOCWXHH-SNVBAGLBSA-N 2 1 224.352 1.016 20 0 BDADMP Fc1ccc2c(c1)[C@@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000359294113 385177091 /nfs/dbraw/zinc/17/70/91/385177091.db2.gz AYQVJTREQUWISS-ZOWXZIJZSA-N 2 1 246.329 1.964 20 0 BDADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000308813285 385180816 /nfs/dbraw/zinc/18/08/16/385180816.db2.gz AIOOFLIMYWNIEI-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000252711422 385208163 /nfs/dbraw/zinc/20/81/63/385208163.db2.gz JLDSDNGIJQPGTL-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP COCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252714392 385221248 /nfs/dbraw/zinc/22/12/48/385221248.db2.gz RVWATYPRWVQBFE-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP COCCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000178392185 385240717 /nfs/dbraw/zinc/24/07/17/385240717.db2.gz FYPWQLNKQNGHJU-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000157674553 385244588 /nfs/dbraw/zinc/24/45/88/385244588.db2.gz SXHVTILYCFYNAG-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP C[N@H+](Cc1ccncc1)CC1CC[NH+](C)CC1 ZINC000130442760 385250021 /nfs/dbraw/zinc/25/00/21/385250021.db2.gz GIICJMPABYCDIE-UHFFFAOYSA-N 2 1 233.359 1.855 20 0 BDADMP OCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157902796 385304020 /nfs/dbraw/zinc/30/40/20/385304020.db2.gz QXHPLKBNBOBDOP-CHWSQXEVSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@H+](C[C@@H](O)Cn1c[nH+]c2c1CCCC2)C1CC1 ZINC000311006871 385278477 /nfs/dbraw/zinc/27/84/77/385278477.db2.gz ZAKHXBMYCUGBBF-GFCCVEGCSA-N 2 1 249.358 1.217 20 0 BDADMP C[N@@H+](C[C@@H](O)Cn1c[nH+]c2c1CCCC2)C1CC1 ZINC000311006871 385278484 /nfs/dbraw/zinc/27/84/84/385278484.db2.gz ZAKHXBMYCUGBBF-GFCCVEGCSA-N 2 1 249.358 1.217 20 0 BDADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000335354134 385341490 /nfs/dbraw/zinc/34/14/90/385341490.db2.gz GCHMWYFUFXAGIY-LBPRGKRZSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@H+](Cc1ccccn1)CC1CC[NH+](C)CC1 ZINC000154818855 385357043 /nfs/dbraw/zinc/35/70/43/385357043.db2.gz YEJGPKXUYDHWLF-UHFFFAOYSA-N 2 1 233.359 1.855 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000311198704 385361310 /nfs/dbraw/zinc/36/13/10/385361310.db2.gz GSJCZYSOFHCGSK-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP COC1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000168395664 385368476 /nfs/dbraw/zinc/36/84/76/385368476.db2.gz YIJYBQHOMCOFGD-RYSNWHEDSA-N 2 1 240.391 1.874 20 0 BDADMP COC1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000168395664 385368479 /nfs/dbraw/zinc/36/84/79/385368479.db2.gz YIJYBQHOMCOFGD-RYSNWHEDSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)o1 ZINC000194540836 385440185 /nfs/dbraw/zinc/44/01/85/385440185.db2.gz SKCAUVZGXADMAN-TXEJJXNPSA-N 2 1 220.316 1.581 20 0 BDADMP C[NH+](C)CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000170755000 385441583 /nfs/dbraw/zinc/44/15/83/385441583.db2.gz WVKDDNMSBCYVFW-UHFFFAOYSA-N 2 1 235.331 1.248 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257745232 385496402 /nfs/dbraw/zinc/49/64/02/385496402.db2.gz ZOBYPZWTSWLLOR-UONOGXRCSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000643010644 385504747 /nfs/dbraw/zinc/50/47/47/385504747.db2.gz SOFYPVQQRKAPOX-NXEZZACHSA-N 2 1 245.330 1.522 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000157702508 385516870 /nfs/dbraw/zinc/51/68/70/385516870.db2.gz CQEMXRJKFHJNLA-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000157702508 385516873 /nfs/dbraw/zinc/51/68/73/385516873.db2.gz CQEMXRJKFHJNLA-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000159056501 385526684 /nfs/dbraw/zinc/52/66/84/385526684.db2.gz WKXYHMTWPWFCEF-FIQHERPVSA-N 2 1 214.353 1.076 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000336724093 385611729 /nfs/dbraw/zinc/61/17/29/385611729.db2.gz BAIVNXGAASJQIW-RVMXOQNASA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1C ZINC000184530632 385676664 /nfs/dbraw/zinc/67/66/64/385676664.db2.gz VMSAFADAAIQHOA-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)CCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336685318 385686608 /nfs/dbraw/zinc/68/66/08/385686608.db2.gz FWBFWOSNBREINX-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336685318 385686613 /nfs/dbraw/zinc/68/66/13/385686613.db2.gz FWBFWOSNBREINX-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337537209 385699419 /nfs/dbraw/zinc/69/94/19/385699419.db2.gz HBFXDHRMAASFGH-WDEREUQCSA-N 2 1 248.317 1.831 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000221764422 385700444 /nfs/dbraw/zinc/70/04/44/385700444.db2.gz XHVBYHSOUQQFBS-BFHYXJOUSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221764422 385700446 /nfs/dbraw/zinc/70/04/46/385700446.db2.gz XHVBYHSOUQQFBS-BFHYXJOUSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221764422 385700450 /nfs/dbraw/zinc/70/04/50/385700450.db2.gz XHVBYHSOUQQFBS-BFHYXJOUSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCO1 ZINC000336687727 385706005 /nfs/dbraw/zinc/70/60/05/385706005.db2.gz GRXXTLVGJNRQSZ-OBJOEFQTSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291696873 385727747 /nfs/dbraw/zinc/72/77/47/385727747.db2.gz JSOTXUDNTXROBU-SECBINFHSA-N 2 1 210.325 1.005 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000414857555 385729549 /nfs/dbraw/zinc/72/95/49/385729549.db2.gz DYPLSAHPEJXCJB-UHFFFAOYSA-N 2 1 210.325 1.163 20 0 BDADMP COc1cc(C)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385180 385744805 /nfs/dbraw/zinc/74/48/05/385744805.db2.gz GURSUOLQIJEZGV-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP COc1cc(C)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385180 385744806 /nfs/dbraw/zinc/74/48/06/385744806.db2.gz GURSUOLQIJEZGV-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000228397832 385747773 /nfs/dbraw/zinc/74/77/73/385747773.db2.gz NZUMGIFRDMEFRV-WHOHXGKFSA-N 2 1 214.353 1.076 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+]CC[C@H]1CCOC1 ZINC000309652158 385770558 /nfs/dbraw/zinc/77/05/58/385770558.db2.gz OMQPWXXWXCLRQH-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000414865060 385770964 /nfs/dbraw/zinc/77/09/64/385770964.db2.gz YVPHDOJFONNHJL-MWLCHTKSSA-N 2 1 239.388 1.929 20 0 BDADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000414865056 385771271 /nfs/dbraw/zinc/77/12/71/385771271.db2.gz YVPHDOJFONNHJL-GXSJLCMTSA-N 2 1 239.388 1.929 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309657334 385776571 /nfs/dbraw/zinc/77/65/71/385776571.db2.gz QJPBXYWFVPNJAC-UPJWGTAASA-N 2 1 226.364 1.077 20 0 BDADMP Cc1cc(CC[NH2+]C2CC[NH+](C)CC2)on1 ZINC000309661243 385779819 /nfs/dbraw/zinc/77/98/19/385779819.db2.gz RJOSRIXBKNMMBB-UHFFFAOYSA-N 2 1 223.320 1.209 20 0 BDADMP CCC[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336714240 385809607 /nfs/dbraw/zinc/80/96/07/385809607.db2.gz WAFNYOAZQIGPJA-RWMBFGLXSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000128576480 385835381 /nfs/dbraw/zinc/83/53/81/385835381.db2.gz YPVXAYLRRFTJQM-DGCLKSJQSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@H]1C[C@H](NC2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000128576260 385835440 /nfs/dbraw/zinc/83/54/40/385835440.db2.gz YPVXAYLRRFTJQM-AAEUAGOBSA-N 2 1 237.391 1.295 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000284057454 385846654 /nfs/dbraw/zinc/84/66/54/385846654.db2.gz KOJHIWGWAXSCCT-NSHDSACASA-N 2 1 224.352 1.791 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000284057454 385846659 /nfs/dbraw/zinc/84/66/59/385846659.db2.gz KOJHIWGWAXSCCT-NSHDSACASA-N 2 1 224.352 1.791 20 0 BDADMP CCOC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH3+])o1 ZINC000414875708 385901354 /nfs/dbraw/zinc/90/13/54/385901354.db2.gz KJQHSHZPAVSHJI-VIFPVBQESA-N 2 1 240.303 1.141 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250981859 385929661 /nfs/dbraw/zinc/92/96/61/385929661.db2.gz BKWLRIQURNHCRH-QWHCGFSZSA-N 2 1 226.364 1.474 20 0 BDADMP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CO2 ZINC000335032438 385920565 /nfs/dbraw/zinc/92/05/65/385920565.db2.gz KQEKUYAJLMYTFA-KGLIPLIRSA-N 2 1 246.354 1.722 20 0 BDADMP CC(C)OCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814293 385869374 /nfs/dbraw/zinc/86/93/74/385869374.db2.gz HHLZFVZBCMWEIV-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CC1(C)C ZINC000414130371 385979337 /nfs/dbraw/zinc/97/93/37/385979337.db2.gz JLESNPLTFSZLDF-OBJOEFQTSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000414130371 385979342 /nfs/dbraw/zinc/97/93/42/385979342.db2.gz JLESNPLTFSZLDF-OBJOEFQTSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414972615 385986472 /nfs/dbraw/zinc/98/64/72/385986472.db2.gz AZEFHBQGWQYDRF-ZDUSSCGKSA-N 2 1 244.342 1.699 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000338272540 385934631 /nfs/dbraw/zinc/93/46/31/385934631.db2.gz ASILWUYWVGMKKG-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP COC(=O)c1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414878577 385934669 /nfs/dbraw/zinc/93/46/69/385934669.db2.gz OHXHTIYIJCNHAI-UHFFFAOYSA-N 2 1 248.326 1.444 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251092249 385935393 /nfs/dbraw/zinc/93/53/93/385935393.db2.gz INDFFHNGVQBPEB-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000335044227 385938579 /nfs/dbraw/zinc/93/85/79/385938579.db2.gz UTXJVNLRUQPGNQ-VXGBXAGGSA-N 2 1 226.364 1.269 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@H]1C ZINC000338280934 385945466 /nfs/dbraw/zinc/94/54/66/385945466.db2.gz VTSTWVJYMJJQLI-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](OC)C1 ZINC000338307402 385951605 /nfs/dbraw/zinc/95/16/05/385951605.db2.gz NXHGAWFTHRTZEQ-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OC)C1 ZINC000338307402 385951609 /nfs/dbraw/zinc/95/16/09/385951609.db2.gz NXHGAWFTHRTZEQ-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000338304878 385953790 /nfs/dbraw/zinc/95/37/90/385953790.db2.gz PWNPPOMHRFFMGI-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C[C@@H](C)C1 ZINC000414969336 385963626 /nfs/dbraw/zinc/96/36/26/385963626.db2.gz FBBKCMSKNQYSJO-DGAVXFQQSA-N 2 1 239.407 1.304 20 0 BDADMP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647942754 385964846 /nfs/dbraw/zinc/96/48/46/385964846.db2.gz QZIZVLQUYSXKKQ-HNNXBMFYSA-N 3 1 247.386 1.447 20 0 BDADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647942754 385964849 /nfs/dbraw/zinc/96/48/49/385964849.db2.gz QZIZVLQUYSXKKQ-HNNXBMFYSA-N 3 1 247.386 1.447 20 0 BDADMP CC1CCC(C[NH2+]C[C@@H]2C[NH2+]CCN2C)CC1 ZINC000414970591 385964928 /nfs/dbraw/zinc/96/49/28/385964928.db2.gz VGRALJYFZMUDQU-RUXDESIVSA-N 2 1 239.407 1.306 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)C[C@H]1C ZINC000338317188 385967807 /nfs/dbraw/zinc/96/78/07/385967807.db2.gz MRCYLYGMPJATBH-CYBMUJFWSA-N 2 1 227.396 1.354 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1O ZINC000189244752 385974443 /nfs/dbraw/zinc/97/44/43/385974443.db2.gz BNUSZNCXPSGADQ-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1noc(C)c1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000335066249 386004285 /nfs/dbraw/zinc/00/42/85/386004285.db2.gz RPLUMYXPENLEAX-TZMCWYRMSA-N 2 1 249.358 1.817 20 0 BDADMP COC1(C[NH2+]C[C@H]2CCCC[NH2+]2)CCCC1 ZINC000310010038 386040535 /nfs/dbraw/zinc/04/05/35/386040535.db2.gz IGMWYTPFKUQPLO-GFCCVEGCSA-N 2 1 226.364 1.677 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@@H]([NH3+])CC)c1 ZINC000414979831 386046992 /nfs/dbraw/zinc/04/69/92/386046992.db2.gz ORIADBVUTAUZSG-LBPRGKRZSA-N 2 1 222.332 1.912 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1c(F)cccc1F ZINC000414884886 386052195 /nfs/dbraw/zinc/05/21/95/386052195.db2.gz WMJGHDXZIXWBIK-MRVPVSSYSA-N 2 1 214.259 1.649 20 0 BDADMP CC1=CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000334459989 386112259 /nfs/dbraw/zinc/11/22/59/386112259.db2.gz UERNFGXEBMTHKC-STQMWFEESA-N 2 1 224.348 1.141 20 0 BDADMP CC1=CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000334459989 386112266 /nfs/dbraw/zinc/11/22/66/386112266.db2.gz UERNFGXEBMTHKC-STQMWFEESA-N 2 1 224.348 1.141 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(O)c1 ZINC000038041403 386117048 /nfs/dbraw/zinc/11/70/48/386117048.db2.gz FTBULMIDFRZUQN-SNVBAGLBSA-N 2 1 220.316 1.795 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCCCC1)C1CC1 ZINC000336643039 386117980 /nfs/dbraw/zinc/11/79/80/386117980.db2.gz ALWIUETUKPLFCH-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCCCC1)C1CC1 ZINC000336643039 386117984 /nfs/dbraw/zinc/11/79/84/386117984.db2.gz ALWIUETUKPLFCH-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP [NH3+][C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000414890133 386120492 /nfs/dbraw/zinc/12/04/92/386120492.db2.gz HCXQCAXKYGKIHY-GFCCVEGCSA-N 2 1 230.315 1.390 20 0 BDADMP Cc1ccc(OCC[N@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647873395 386121349 /nfs/dbraw/zinc/12/13/49/386121349.db2.gz DUSVAMPZBKPIBV-AWEZNQCLSA-N 2 1 248.370 1.915 20 0 BDADMP Cc1ncc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000345166370 386063449 /nfs/dbraw/zinc/06/34/49/386063449.db2.gz NMSFEMITUIDVKW-UHFFFAOYSA-N 2 1 232.331 1.137 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000311996433 386071567 /nfs/dbraw/zinc/07/15/67/386071567.db2.gz GDIWNUBBAFIJBL-MWLCHTKSSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000311996433 386071573 /nfs/dbraw/zinc/07/15/73/386071573.db2.gz GDIWNUBBAFIJBL-MWLCHTKSSA-N 2 1 237.347 1.715 20 0 BDADMP C[C@H](C[NH3+])C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000334447615 386075742 /nfs/dbraw/zinc/07/57/42/386075742.db2.gz QIXZHEVYRMAMMC-LLVKDONJSA-N 2 1 247.342 1.060 20 0 BDADMP C[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000334447615 386075746 /nfs/dbraw/zinc/07/57/46/386075746.db2.gz QIXZHEVYRMAMMC-LLVKDONJSA-N 2 1 247.342 1.060 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000414887761 386095286 /nfs/dbraw/zinc/09/52/86/386095286.db2.gz ZLHIHZWLKBTVNQ-NWDGAFQWSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CC[NH2+]C1 ZINC000647876118 386144846 /nfs/dbraw/zinc/14/48/46/386144846.db2.gz QFUKLDIXLKSESN-LBPRGKRZSA-N 2 1 220.316 1.434 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C[C@H]1CC[NH2+]C1 ZINC000647876118 386144852 /nfs/dbraw/zinc/14/48/52/386144852.db2.gz QFUKLDIXLKSESN-LBPRGKRZSA-N 2 1 220.316 1.434 20 0 BDADMP CCOC(=O)c1ccc(C[NH2+][C@H](C)CC[NH3+])o1 ZINC000414891661 386145450 /nfs/dbraw/zinc/14/54/50/386145450.db2.gz VZZPRBFOMMTXBL-SECBINFHSA-N 2 1 240.303 1.283 20 0 BDADMP CC[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000647878435 386159901 /nfs/dbraw/zinc/15/99/01/386159901.db2.gz HKKAZCHOKVMNTM-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1cnccc1C[N@H+]1CCn2cncc2C1 ZINC000296033633 386127725 /nfs/dbraw/zinc/12/77/25/386127725.db2.gz NNQQTJWOGZEQCG-UHFFFAOYSA-N 2 1 228.299 1.602 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@]1(C)CCCO1 ZINC000340530981 386141941 /nfs/dbraw/zinc/14/19/41/386141941.db2.gz INNJTWRUIOLIJQ-OCCSQVGLSA-N 2 1 238.375 1.796 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)CC[C@H]2C)CC[NH2+]1 ZINC000414693253 386189504 /nfs/dbraw/zinc/18/95/04/386189504.db2.gz MKAIWLDIYXCABY-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000414709265 386221453 /nfs/dbraw/zinc/22/14/53/386221453.db2.gz QRBMEXNPCCYKED-FRRDWIJNSA-N 2 1 228.380 1.595 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000347033103 386222532 /nfs/dbraw/zinc/22/25/32/386222532.db2.gz FHUSNBFBQBVVHG-NWDGAFQWSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000347033103 386222541 /nfs/dbraw/zinc/22/25/41/386222541.db2.gz FHUSNBFBQBVVHG-NWDGAFQWSA-N 2 1 234.347 1.344 20 0 BDADMP CCOC(=O)C[C@@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414710581 386225401 /nfs/dbraw/zinc/22/54/01/386225401.db2.gz LMWSZZZLTUHKBL-VXGBXAGGSA-N 2 1 244.379 1.633 20 0 BDADMP CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414710581 386225404 /nfs/dbraw/zinc/22/54/04/386225404.db2.gz LMWSZZZLTUHKBL-VXGBXAGGSA-N 2 1 244.379 1.633 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414715019 386236019 /nfs/dbraw/zinc/23/60/19/386236019.db2.gz VZGOORIKIVZLOX-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347135966 386239515 /nfs/dbraw/zinc/23/95/15/386239515.db2.gz SYQHYQGGNDUPBM-CYBMUJFWSA-N 2 1 247.386 1.923 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000336645495 386252929 /nfs/dbraw/zinc/25/29/29/386252929.db2.gz IAWGZVGJSXBQGU-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000336647208 386258056 /nfs/dbraw/zinc/25/80/56/386258056.db2.gz FKFUREGGPURJRD-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP COc1ccc([C@H](CO)[N@@H+](C)CCC[NH3+])cc1 ZINC000414693579 386191846 /nfs/dbraw/zinc/19/18/46/386191846.db2.gz LYEZIEHAQVKUGG-ZDUSSCGKSA-N 2 1 238.331 1.009 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(F)F)CC[N@H+]1C ZINC000336730853 386291106 /nfs/dbraw/zinc/29/11/06/386291106.db2.gz DYTZCDMEKXALPZ-BBBLOLIVSA-N 2 1 236.306 1.075 20 0 BDADMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc(OC)c1 ZINC000415004894 386291991 /nfs/dbraw/zinc/29/19/91/386291991.db2.gz IOLGVNIYHHPVEK-NXEZZACHSA-N 2 1 238.331 1.529 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336668205 386297229 /nfs/dbraw/zinc/29/72/29/386297229.db2.gz RUVZQHYQSRDKED-QWHCGFSZSA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336668205 386297234 /nfs/dbraw/zinc/29/72/34/386297234.db2.gz RUVZQHYQSRDKED-QWHCGFSZSA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336668205 386297239 /nfs/dbraw/zinc/29/72/39/386297239.db2.gz RUVZQHYQSRDKED-QWHCGFSZSA-N 2 1 228.380 1.277 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336660661 386299708 /nfs/dbraw/zinc/29/97/08/386299708.db2.gz AWVBAMRFZSYMHN-LBPRGKRZSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)Cn1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)cn1 ZINC000414901973 386304556 /nfs/dbraw/zinc/30/45/56/386304556.db2.gz GRYUIWINVLLZAP-GFCCVEGCSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[NH2+]C(C)(C)C ZINC000414739147 386322703 /nfs/dbraw/zinc/32/27/03/386322703.db2.gz JYBMTERMIWWGRV-VXGBXAGGSA-N 2 1 227.396 1.399 20 0 BDADMP C[C@@H](O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336679528 386322753 /nfs/dbraw/zinc/32/27/53/386322753.db2.gz PMUHZQUHPHPPQP-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000335262207 386323344 /nfs/dbraw/zinc/32/33/44/386323344.db2.gz RGLIHYZSIDUHLU-AAEUAGOBSA-N 2 1 219.332 1.620 20 0 BDADMP C[C@H](O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336650316 386263412 /nfs/dbraw/zinc/26/34/12/386263412.db2.gz SLHPZITVGONUFJ-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336650316 386263414 /nfs/dbraw/zinc/26/34/14/386263414.db2.gz SLHPZITVGONUFJ-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336650316 386263416 /nfs/dbraw/zinc/26/34/16/386263416.db2.gz SLHPZITVGONUFJ-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336650316 386263418 /nfs/dbraw/zinc/26/34/18/386263418.db2.gz SLHPZITVGONUFJ-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647884687 386264709 /nfs/dbraw/zinc/26/47/09/386264709.db2.gz WXLFYJPEBSIYHQ-VXGBXAGGSA-N 2 1 234.343 1.995 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@H](C)[NH3+] ZINC000415003982 386269441 /nfs/dbraw/zinc/26/94/41/386269441.db2.gz GZNFSHXCVOVPAK-NWDGAFQWSA-N 2 1 248.374 1.507 20 0 BDADMP Cc1cccc2ncc(C[N@@H+]3CC[C@@H](C[NH3+])C3)n21 ZINC000335262370 386323900 /nfs/dbraw/zinc/32/39/00/386323900.db2.gz ITUXZIWRFTUXJR-LBPRGKRZSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1cccc2ncc(C[N@H+]3CC[C@@H](C[NH3+])C3)n21 ZINC000335262370 386323908 /nfs/dbraw/zinc/32/39/08/386323908.db2.gz ITUXZIWRFTUXJR-LBPRGKRZSA-N 2 1 244.342 1.423 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647987571 386275435 /nfs/dbraw/zinc/27/54/35/386275435.db2.gz DMZVFFKTKQWHJH-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647987571 386275439 /nfs/dbraw/zinc/27/54/39/386275439.db2.gz DMZVFFKTKQWHJH-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CC[NH2+]CC1 ZINC000647987717 386278622 /nfs/dbraw/zinc/27/86/22/386278622.db2.gz TWMDYDOBQVEDNY-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CC[NH2+]CC1 ZINC000647987717 386278626 /nfs/dbraw/zinc/27/86/26/386278626.db2.gz TWMDYDOBQVEDNY-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000647885743 386278790 /nfs/dbraw/zinc/27/87/90/386278790.db2.gz LHKCCFVVDNMCKJ-DZGCQCFKSA-N 2 1 248.370 1.651 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336682784 386339789 /nfs/dbraw/zinc/33/97/89/386339789.db2.gz FDABTLCNCJDMGS-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CC1CC1)CC[NH2+]CC2 ZINC000335278699 386346341 /nfs/dbraw/zinc/34/63/41/386346341.db2.gz NMXIFRSZLHTJGL-NSHDSACASA-N 2 1 208.349 1.860 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000414747820 386356169 /nfs/dbraw/zinc/35/61/69/386356169.db2.gz UXBGPWINTHLWGE-WUHRBBMRSA-N 2 1 226.364 1.063 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000647989579 386358565 /nfs/dbraw/zinc/35/85/65/386358565.db2.gz HMBRRMVLZRIEAK-JSGCOSHPSA-N 2 1 238.375 1.344 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000647989581 386359343 /nfs/dbraw/zinc/35/93/43/386359343.db2.gz HMBRRMVLZRIEAK-TZMCWYRMSA-N 2 1 238.375 1.344 20 0 BDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397196 386387145 /nfs/dbraw/zinc/38/71/45/386387145.db2.gz CRJKPTLMDMLVAO-WOPDTQHZSA-N 2 1 243.395 1.206 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414906079 386370937 /nfs/dbraw/zinc/37/09/37/386370937.db2.gz ORYNMTRTTLIXDQ-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414906079 386370942 /nfs/dbraw/zinc/37/09/42/386370942.db2.gz ORYNMTRTTLIXDQ-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414906079 386370946 /nfs/dbraw/zinc/37/09/46/386370946.db2.gz ORYNMTRTTLIXDQ-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCOC2)CC[N@@H+]1C ZINC000336690430 386372127 /nfs/dbraw/zinc/37/21/27/386372127.db2.gz AXDHVFYRKFFGIJ-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCOC2)CC[N@H+]1C ZINC000336690430 386372133 /nfs/dbraw/zinc/37/21/33/386372133.db2.gz AXDHVFYRKFFGIJ-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCOC2)CC[NH+]1C ZINC000336690430 386372136 /nfs/dbraw/zinc/37/21/36/386372136.db2.gz AXDHVFYRKFFGIJ-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCOC2)CC[NH+]1C ZINC000336690430 386372141 /nfs/dbraw/zinc/37/21/41/386372141.db2.gz AXDHVFYRKFFGIJ-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3cccnc3)C[C@@H]21 ZINC000230045800 386337180 /nfs/dbraw/zinc/33/71/80/386337180.db2.gz ZEBXEIIFILXLPY-SOUVJXGZSA-N 2 1 245.370 1.683 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000336700047 386386182 /nfs/dbraw/zinc/38/61/82/386386182.db2.gz NFVYCKYHUCOVHA-WZRBSPASSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336700047 386386187 /nfs/dbraw/zinc/38/61/87/386386187.db2.gz NFVYCKYHUCOVHA-WZRBSPASSA-N 2 1 225.380 1.009 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1c(C)noc1C ZINC000647992216 386450415 /nfs/dbraw/zinc/45/04/15/386450415.db2.gz SNVRBDPFHDNQOB-NEPJUHHUSA-N 2 1 237.347 1.942 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647891509 386393984 /nfs/dbraw/zinc/39/39/84/386393984.db2.gz KWWFUNDXIYMVKH-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)CC[C@H]1CCCO1 ZINC000414757395 386402559 /nfs/dbraw/zinc/40/25/59/386402559.db2.gz LBTLKVJJSFVUNF-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CCCO1 ZINC000414757395 386402564 /nfs/dbraw/zinc/40/25/64/386402564.db2.gz LBTLKVJJSFVUNF-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H](O)CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000336732746 386406127 /nfs/dbraw/zinc/40/61/27/386406127.db2.gz ZTYFNWAGLBOIKA-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP Cn1nccc1[C@@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000414758460 386408198 /nfs/dbraw/zinc/40/81/98/386408198.db2.gz CQYZAZUIGVTWJZ-LBPRGKRZSA-N 2 1 222.336 1.296 20 0 BDADMP Cn1nccc1[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000414758460 386408204 /nfs/dbraw/zinc/40/82/04/386408204.db2.gz CQYZAZUIGVTWJZ-LBPRGKRZSA-N 2 1 222.336 1.296 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000339411218 386414814 /nfs/dbraw/zinc/41/48/14/386414814.db2.gz VYFLHTYLEAVAAC-SWLSCSKDSA-N 2 1 247.386 1.992 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399116408 386415223 /nfs/dbraw/zinc/41/52/23/386415223.db2.gz DKRFHRWNMCGHJX-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399116404 386415462 /nfs/dbraw/zinc/41/54/62/386415462.db2.gz DKRFHRWNMCGHJX-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP C[N@H+]1CC[C@H]2CCN(CC[NH2+]C(C)(C)C)[C@H]2C1 ZINC000414761331 386418465 /nfs/dbraw/zinc/41/84/65/386418465.db2.gz SQDYTPKJKJSUBW-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(CC[NH2+]C(C)(C)C)[C@@H]2C1 ZINC000414761325 386418651 /nfs/dbraw/zinc/41/86/51/386418651.db2.gz SQDYTPKJKJSUBW-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP Cn1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000336715021 386432490 /nfs/dbraw/zinc/43/24/90/386432490.db2.gz SEUBATNGPNVBJU-UHFFFAOYSA-N 2 1 236.363 1.194 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@H]1[NH3+] ZINC000647934735 386479657 /nfs/dbraw/zinc/47/96/57/386479657.db2.gz OFUWKJUCWQLYBA-NWDGAFQWSA-N 2 1 234.347 1.053 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414913313 386485405 /nfs/dbraw/zinc/48/54/05/386485405.db2.gz WFNHMPHRMIYVBQ-CYBMUJFWSA-N 2 1 236.363 1.506 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000519596371 386496547 /nfs/dbraw/zinc/49/65/47/386496547.db2.gz OTINJBCCHAZHRC-XQQFMLRXSA-N 2 1 225.380 1.236 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000519596372 386497526 /nfs/dbraw/zinc/49/75/26/386497526.db2.gz OTINJBCCHAZHRC-YNEHKIRRSA-N 2 1 225.380 1.236 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+]CC(C)(C)COC ZINC000336779315 386499090 /nfs/dbraw/zinc/49/90/90/386499090.db2.gz NYAFTUSHVXCBBW-LBPRGKRZSA-N 2 1 230.396 1.979 20 0 BDADMP C[C@]1(C[NH2+]Cc2cccc(O)c2)CCC[NH2+]C1 ZINC000414914197 386501596 /nfs/dbraw/zinc/50/15/96/386501596.db2.gz XNCZXSLUZLVKDV-AWEZNQCLSA-N 2 1 234.343 1.872 20 0 BDADMP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415017690 386502626 /nfs/dbraw/zinc/50/26/26/386502626.db2.gz QKBRCYBPDWGHDN-UWVGGRQHSA-N 2 1 210.296 1.959 20 0 BDADMP CCN(C)c1ccc(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC000414782429 386504251 /nfs/dbraw/zinc/50/42/51/386504251.db2.gz OVUNQATYBQRNJK-UHFFFAOYSA-N 2 1 248.374 1.379 20 0 BDADMP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccccc1 ZINC000415050609 386505173 /nfs/dbraw/zinc/50/51/73/386505173.db2.gz IVITYBSQMSHLIO-HUUCEWRRSA-N 2 1 247.386 1.808 20 0 BDADMP CCN(C)c1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cn1 ZINC000415018712 386505243 /nfs/dbraw/zinc/50/52/43/386505243.db2.gz RCLXQRKVZKRNHL-GHMZBOCLSA-N 2 1 236.363 1.363 20 0 BDADMP C[C@H]1C[C@@H]1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415051624 386508858 /nfs/dbraw/zinc/50/88/58/386508858.db2.gz MHCCEMFSEUEZBO-PMOUVXMZSA-N 2 1 230.355 1.988 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000415027119 386516273 /nfs/dbraw/zinc/51/62/73/386516273.db2.gz WCNGTPIACMSJLL-XQQFMLRXSA-N 3 1 227.396 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000415027119 386516277 /nfs/dbraw/zinc/51/62/77/386516277.db2.gz WCNGTPIACMSJLL-XQQFMLRXSA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H](C)C1 ZINC000415027118 386517191 /nfs/dbraw/zinc/51/71/91/386517191.db2.gz WCNGTPIACMSJLL-UPJWGTAASA-N 3 1 227.396 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H](C)C1 ZINC000415027118 386517196 /nfs/dbraw/zinc/51/71/96/386517196.db2.gz WCNGTPIACMSJLL-UPJWGTAASA-N 2 1 227.396 1.434 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000135500258 386519422 /nfs/dbraw/zinc/51/94/22/386519422.db2.gz CLLHBQZZKGFALG-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP C[C@@H]1OCC[C@@]1(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000336780227 386522231 /nfs/dbraw/zinc/52/22/31/386522231.db2.gz QPSFPMYUBBIAGJ-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1C ZINC000415037886 386523694 /nfs/dbraw/zinc/52/36/94/386523694.db2.gz LMGXWOIAAHIOPJ-HNNXBMFYSA-N 2 1 248.370 1.772 20 0 BDADMP CC(C)(C)NCC[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414911099 386453566 /nfs/dbraw/zinc/45/35/66/386453566.db2.gz UASGYZHKYQDIGU-UHFFFAOYSA-N 2 1 227.396 1.354 20 0 BDADMP CC(C)(C)[NH2+]CCNCC1(C)CC[NH2+]CC1 ZINC000414911099 386453573 /nfs/dbraw/zinc/45/35/73/386453573.db2.gz UASGYZHKYQDIGU-UHFFFAOYSA-N 2 1 227.396 1.354 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977954 386578336 /nfs/dbraw/zinc/57/83/36/386578336.db2.gz KDOCRFBKWNXLRR-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647905008 386583031 /nfs/dbraw/zinc/58/30/31/386583031.db2.gz DBJUDPFTICWRPT-OCCSQVGLSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCSC1 ZINC000415054205 386539154 /nfs/dbraw/zinc/53/91/54/386539154.db2.gz LKLXAUXBSBYYKU-NXEZZACHSA-N 2 1 216.394 1.703 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC000415057822 386541980 /nfs/dbraw/zinc/54/19/80/386541980.db2.gz UMDDOGQLHJPRQF-IJLUTSLNSA-N 3 1 227.396 1.338 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCSC1)C1CCCC1 ZINC000415064573 386543525 /nfs/dbraw/zinc/54/35/25/386543525.db2.gz LBEOQXCUDUYGLU-CMPLNLGQSA-N 2 1 228.405 1.847 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCSC1)C1CCCC1 ZINC000415063514 386544101 /nfs/dbraw/zinc/54/41/01/386544101.db2.gz IKJDPWWJTGLLGS-NEPJUHHUSA-N 2 1 228.405 1.989 20 0 BDADMP C[N@@H+](CCCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000415063534 386544235 /nfs/dbraw/zinc/54/42/35/386544235.db2.gz AAMSISMLHMKEFM-ZDUSSCGKSA-N 2 1 228.380 1.598 20 0 BDADMP C[C@@H](CC1CCCCC1)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415064445 386544371 /nfs/dbraw/zinc/54/43/71/386544371.db2.gz CNXNYCCVZWHIKI-JSGCOSHPSA-N 2 1 242.407 1.844 20 0 BDADMP CC(=O)CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267453847 386544801 /nfs/dbraw/zinc/54/48/01/386544801.db2.gz SGOBUYUQPTWUKF-LLVKDONJSA-N 2 1 221.304 1.568 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415069446 386551707 /nfs/dbraw/zinc/55/17/07/386551707.db2.gz GHSNMHATUDOJEH-QWHCGFSZSA-N 2 1 228.380 1.779 20 0 BDADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1F ZINC000414794360 386557513 /nfs/dbraw/zinc/55/75/13/386557513.db2.gz LYWMNFYHBUWVQN-GFCCVEGCSA-N 2 1 240.322 1.907 20 0 BDADMP C[C@H](O)CCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000278656557 386561954 /nfs/dbraw/zinc/56/19/54/386561954.db2.gz MWPUQIVJNILGOR-NSHDSACASA-N 2 1 237.347 1.398 20 0 BDADMP COc1ccccc1C1([NH2+]C[C@H]2CC[NH2+]C2)CC1 ZINC000647996322 386571584 /nfs/dbraw/zinc/57/15/84/386571584.db2.gz SDSISQVIRTTWKU-LBPRGKRZSA-N 2 1 246.354 1.883 20 0 BDADMP C[C@H]([NH2+]CCC[NH3+])c1nc2c(s1)CCC2 ZINC000415116164 386629729 /nfs/dbraw/zinc/62/97/29/386629729.db2.gz VVHOZINCDVGLTO-QMMMGPOBSA-N 2 1 225.361 1.631 20 0 BDADMP CCC[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414925048 386631529 /nfs/dbraw/zinc/63/15/29/386631529.db2.gz HOJWGVICSOHYLO-UHFFFAOYSA-N 2 1 235.322 1.044 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CO)[C@H]2C)CC[NH2+]1 ZINC000415133973 386639522 /nfs/dbraw/zinc/63/95/22/386639522.db2.gz DAJKXHBNXUQZON-AAVRWANBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647906696 386639577 /nfs/dbraw/zinc/63/95/77/386639577.db2.gz MEWQTUUOAKIXCU-GXTWGEPZSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000335509214 386643362 /nfs/dbraw/zinc/64/33/62/386643362.db2.gz BGTWQGIHJLCYHP-VKAADOFISA-N 2 1 200.301 1.607 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415146385 386643499 /nfs/dbraw/zinc/64/34/99/386643499.db2.gz YOUIUCGUOCUPDK-QNWHQSFQSA-N 3 1 225.380 1.105 20 0 BDADMP c1cncc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000335423480 386599123 /nfs/dbraw/zinc/59/91/23/386599123.db2.gz KRVVPWHGECNTBV-HNNXBMFYSA-N 2 1 245.370 1.871 20 0 BDADMP COC[C@H](CC(C)C)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000414922983 386602433 /nfs/dbraw/zinc/60/24/33/386602433.db2.gz GQVLXGJICMRCNO-AVGNSLFASA-N 2 1 228.380 1.635 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414922983 386602437 /nfs/dbraw/zinc/60/24/37/386602437.db2.gz GQVLXGJICMRCNO-AVGNSLFASA-N 2 1 228.380 1.635 20 0 BDADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1 ZINC000228725215 386604038 /nfs/dbraw/zinc/60/40/38/386604038.db2.gz PIFQQLJQHNJABH-VSGCLNPGSA-N 2 1 248.370 1.602 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2CCO)CC[NH2+]1 ZINC000415090396 386610170 /nfs/dbraw/zinc/61/01/70/386610170.db2.gz ALLGJYWPISGBGF-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]([NH3+])c1ccc(CNC[C@]2(C)CC[NH2+]C2)cc1 ZINC000414807734 386612895 /nfs/dbraw/zinc/61/28/95/386612895.db2.gz CZQVBRXSRRNOPY-SWLSCSKDSA-N 2 1 247.386 1.796 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H]1CCCOC1 ZINC000414806366 386614178 /nfs/dbraw/zinc/61/41/78/386614178.db2.gz BPYMBOYQLNGVFL-VXGBXAGGSA-N 2 1 214.353 1.520 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[NH3+])CC2 ZINC000335494662 386617195 /nfs/dbraw/zinc/61/71/95/386617195.db2.gz CQAIDGJYBZWHTR-ZWNOBZJWSA-N 2 1 204.317 1.919 20 0 BDADMP COc1cc(C)c(C[NH2+]CC(C)(C)[NH3+])c(C)n1 ZINC000414807518 386618210 /nfs/dbraw/zinc/61/82/10/386618210.db2.gz RKXYLVQYPJFCPF-UHFFFAOYSA-N 2 1 237.347 1.534 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)COC ZINC000414816748 386659063 /nfs/dbraw/zinc/65/90/63/386659063.db2.gz QKMFIXLRIDDQGB-QWRGUYRKSA-N 2 1 202.342 1.519 20 0 BDADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000428120128 386662082 /nfs/dbraw/zinc/66/20/82/386662082.db2.gz JJYALWSVTMZAJC-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH+](C)C[C@H]1C)C(C)C ZINC000336759474 386664240 /nfs/dbraw/zinc/66/42/40/386664240.db2.gz JBEGMFRCCPDCFF-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000336759474 386664252 /nfs/dbraw/zinc/66/42/52/386664252.db2.gz JBEGMFRCCPDCFF-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000414820264 386665214 /nfs/dbraw/zinc/66/52/14/386665214.db2.gz BUFDNNAUHCKDJA-NEPJUHHUSA-N 2 1 206.333 1.988 20 0 BDADMP [NH3+]C1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000335525355 386669394 /nfs/dbraw/zinc/66/93/94/386669394.db2.gz KJKIATILTYDRGA-RUXDESIVSA-N 2 1 238.375 1.759 20 0 BDADMP CSC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337244641 386676992 /nfs/dbraw/zinc/67/69/92/386676992.db2.gz IFXRDBWTUVRAKD-GFCCVEGCSA-N 2 1 246.420 1.128 20 0 BDADMP CSC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337244641 386676999 /nfs/dbraw/zinc/67/69/99/386676999.db2.gz IFXRDBWTUVRAKD-GFCCVEGCSA-N 2 1 246.420 1.128 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000417382462 386690147 /nfs/dbraw/zinc/69/01/47/386690147.db2.gz OAXFWBBCONEAQH-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N(C)C)CC2)[C@@H](C)C1 ZINC000417382462 386690153 /nfs/dbraw/zinc/69/01/53/386690153.db2.gz OAXFWBBCONEAQH-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N(C)C)CC2)[C@@H](C)C1 ZINC000417382462 386690156 /nfs/dbraw/zinc/69/01/56/386690156.db2.gz OAXFWBBCONEAQH-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](NCC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000417382460 386690304 /nfs/dbraw/zinc/69/03/04/386690304.db2.gz OAXFWBBCONEAQH-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(N(C)C)CC2)[C@H](C)C1 ZINC000417382460 386690307 /nfs/dbraw/zinc/69/03/07/386690307.db2.gz OAXFWBBCONEAQH-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(N(C)C)CC2)[C@H](C)C1 ZINC000417382460 386690312 /nfs/dbraw/zinc/69/03/12/386690312.db2.gz OAXFWBBCONEAQH-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+]C(C1CCC1)C1CCC1 ZINC000324947441 386697939 /nfs/dbraw/zinc/69/79/39/386697939.db2.gz ZOUXTBXOBLVYIR-CYBMUJFWSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCC1 ZINC000324953410 386703858 /nfs/dbraw/zinc/70/38/58/386703858.db2.gz CBZHHGRZNUTUIV-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C)C[C@H]1C ZINC000414832887 386719789 /nfs/dbraw/zinc/71/97/89/386719789.db2.gz RNRXQDSUONHDLU-IJLUTSLNSA-N 2 1 242.363 1.163 20 0 BDADMP Cc1cc(C[NH2+][C@H](C)C[NH3+])cc2cccnc12 ZINC000414928801 386725407 /nfs/dbraw/zinc/72/54/07/386725407.db2.gz NBRILNUNCUORAL-LLVKDONJSA-N 2 1 229.327 1.980 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000414838834 386743440 /nfs/dbraw/zinc/74/34/40/386743440.db2.gz LRNKLZXCOZAADD-AGIUHOORSA-N 2 1 227.396 1.162 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000414838834 386743445 /nfs/dbraw/zinc/74/34/45/386743445.db2.gz LRNKLZXCOZAADD-AGIUHOORSA-N 3 1 227.396 1.162 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000414838834 386743450 /nfs/dbraw/zinc/74/34/50/386743450.db2.gz LRNKLZXCOZAADD-AGIUHOORSA-N 3 1 227.396 1.162 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000192546445 386803529 /nfs/dbraw/zinc/80/35/29/386803529.db2.gz ZYOKHKAIRKWDKW-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000192546445 386803532 /nfs/dbraw/zinc/80/35/32/386803532.db2.gz ZYOKHKAIRKWDKW-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)n1 ZINC000334783721 386842490 /nfs/dbraw/zinc/84/24/90/386842490.db2.gz AEOMBPUXOOANQE-WCQYABFASA-N 2 1 233.359 1.868 20 0 BDADMP Cc1ccsc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000334833004 386870701 /nfs/dbraw/zinc/87/07/01/386870701.db2.gz KWOIIWMUHQJWSR-JZYVYDRUSA-N 2 1 208.330 1.364 20 0 BDADMP Cc1cc(F)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000334833045 386871214 /nfs/dbraw/zinc/87/12/14/386871214.db2.gz MBCACFQWDQDDFR-ITGUQSILSA-N 2 1 220.291 1.442 20 0 BDADMP C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919587 386872757 /nfs/dbraw/zinc/87/27/57/386872757.db2.gz LFKHSYNDUJJOKI-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP COC[C@]1(C[NH2+][C@H]2CCCSC2)CCC[NH2+]1 ZINC000414941887 386896324 /nfs/dbraw/zinc/89/63/24/386896324.db2.gz JNMHMOGLXRPLCO-NWDGAFQWSA-N 2 1 244.404 1.240 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCN(C)CC2(C)C)CC[NH2+]1 ZINC000334853500 386904382 /nfs/dbraw/zinc/90/43/82/386904382.db2.gz DFCHGAFCIVIHLL-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000334858788 386910197 /nfs/dbraw/zinc/91/01/97/386910197.db2.gz VFPUMQBOKHLPJZ-MFKMUULPSA-N 2 1 219.332 1.478 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443055690 386913362 /nfs/dbraw/zinc/91/33/62/386913362.db2.gz BHSSTHAEJYYWRN-ZDUSSCGKSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000162187201 386946245 /nfs/dbraw/zinc/94/62/45/386946245.db2.gz CUHYHOOCBKVKES-MNOVXSKESA-N 2 1 235.331 1.265 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358263117 386924370 /nfs/dbraw/zinc/92/43/70/386924370.db2.gz XJFNSTGRNQORIU-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358263117 386924374 /nfs/dbraw/zinc/92/43/74/386924374.db2.gz XJFNSTGRNQORIU-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+](Cc1ccc2c[nH]nc2c1)C1CC([NH3+])C1 ZINC000334867960 386926373 /nfs/dbraw/zinc/92/63/73/386926373.db2.gz GQZCUVJJKPZFGP-UHFFFAOYSA-N 2 1 230.315 1.484 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000334869034 386928393 /nfs/dbraw/zinc/92/83/93/386928393.db2.gz ODIJOLLPMSLPNA-YPMHNXCESA-N 2 1 219.332 1.620 20 0 BDADMP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000395111066 386929615 /nfs/dbraw/zinc/92/96/15/386929615.db2.gz BBPUTMNRIOAEBB-WCFLWFBJSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000334873140 386934256 /nfs/dbraw/zinc/93/42/56/386934256.db2.gz HIOFYIXMNPSIGO-STQMWFEESA-N 3 1 225.380 1.108 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425352044 386961302 /nfs/dbraw/zinc/96/13/02/386961302.db2.gz HKGJRQJLAAZVQQ-NEPJUHHUSA-N 2 1 246.420 1.438 20 0 BDADMP CC[C@@H](CNC(N)=[NH2+])[N@H+]1CCc2ccccc2C1 ZINC000303255169 386996582 /nfs/dbraw/zinc/99/65/82/386996582.db2.gz GBZBBIRWZPIJIM-ZDUSSCGKSA-N 2 1 246.358 1.306 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000216070055 387030570 /nfs/dbraw/zinc/03/05/70/387030570.db2.gz LBUWMSSAESGWPW-DGCLKSJQSA-N 2 1 246.354 1.791 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070074517 387043389 /nfs/dbraw/zinc/04/33/89/387043389.db2.gz DIWMYSJGLMMPMZ-BXKDBHETSA-N 2 1 237.347 1.851 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070074517 387043392 /nfs/dbraw/zinc/04/33/92/387043392.db2.gz DIWMYSJGLMMPMZ-BXKDBHETSA-N 2 1 237.347 1.851 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc1 ZINC000126726592 387050367 /nfs/dbraw/zinc/05/03/67/387050367.db2.gz DBSWSTIUFVOFMN-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126727347 387050684 /nfs/dbraw/zinc/05/06/84/387050684.db2.gz BRVDKLXWFRIASM-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cc(C2CCN(C[C@H](C)[NH3+])CC2)[nH]n1 ZINC000334968799 387052440 /nfs/dbraw/zinc/05/24/40/387052440.db2.gz NCEULEZVJVTGCF-VIFPVBQESA-N 2 1 222.336 1.245 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000359224164 387069205 /nfs/dbraw/zinc/06/92/05/387069205.db2.gz RJGFAPJRCWNZKX-AWEZNQCLSA-N 3 1 239.407 1.450 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000334983417 387069343 /nfs/dbraw/zinc/06/93/43/387069343.db2.gz KBMUCMSDUDWAEB-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1CCC1CC[NH2+]CC1 ZINC000334983417 387069348 /nfs/dbraw/zinc/06/93/48/387069348.db2.gz KBMUCMSDUDWAEB-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]12 ZINC000333882703 387070433 /nfs/dbraw/zinc/07/04/33/387070433.db2.gz DYALCNSXNXYFPM-FBIMIBRVSA-N 2 1 243.314 1.131 20 0 BDADMP c1cncc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994507 387071976 /nfs/dbraw/zinc/07/19/76/387071976.db2.gz HWMSELKKTLLNEH-ZDUSSCGKSA-N 2 1 217.316 1.267 20 0 BDADMP c1cncc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994507 387071979 /nfs/dbraw/zinc/07/19/79/387071979.db2.gz HWMSELKKTLLNEH-ZDUSSCGKSA-N 2 1 217.316 1.267 20 0 BDADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000334994007 387084502 /nfs/dbraw/zinc/08/45/02/387084502.db2.gz REJSFCLWXLZLOX-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP CCc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000334996190 387088067 /nfs/dbraw/zinc/08/80/67/387088067.db2.gz LMZQLSWZWUKOMT-GASCZTMLSA-N 2 1 230.355 1.900 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccc(N)c2)[C@H](C[NH3+])C1 ZINC000334997187 387089087 /nfs/dbraw/zinc/08/90/87/387089087.db2.gz AXOUTROQFXAFPY-RISCZKNCSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)[C@H](C[NH3+])C1 ZINC000334997187 387089091 /nfs/dbraw/zinc/08/90/91/387089091.db2.gz AXOUTROQFXAFPY-RISCZKNCSA-N 2 1 233.359 1.828 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)n1 ZINC000334998258 387090989 /nfs/dbraw/zinc/09/09/89/387090989.db2.gz NFAXSVSJKBBMGS-CYBMUJFWSA-N 2 1 233.359 1.869 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000228831731 387131539 /nfs/dbraw/zinc/13/15/39/387131539.db2.gz ODNFTYFHGLXADF-LLVKDONJSA-N 2 1 236.363 1.933 20 0 BDADMP CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000397243686 387110374 /nfs/dbraw/zinc/11/03/74/387110374.db2.gz SNWCORYAFJBABM-IHRRRGAJSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000397243686 387110378 /nfs/dbraw/zinc/11/03/78/387110378.db2.gz SNWCORYAFJBABM-IHRRRGAJSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025568 387115673 /nfs/dbraw/zinc/11/56/73/387115673.db2.gz SQQMBRRMZRTWJE-QWHCGFSZSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025568 387115677 /nfs/dbraw/zinc/11/56/77/387115677.db2.gz SQQMBRRMZRTWJE-QWHCGFSZSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025569 387116861 /nfs/dbraw/zinc/11/68/61/387116861.db2.gz SQQMBRRMZRTWJE-STQMWFEESA-N 3 1 239.407 1.306 20 0 BDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335025569 387116862 /nfs/dbraw/zinc/11/68/62/387116862.db2.gz SQQMBRRMZRTWJE-STQMWFEESA-N 2 1 239.407 1.306 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)Cn1cncn1 ZINC000423299986 387132081 /nfs/dbraw/zinc/13/20/81/387132081.db2.gz QRAKFLKCVNZTLX-RYUDHWBXSA-N 2 1 239.367 1.164 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000335027278 387120103 /nfs/dbraw/zinc/12/01/03/387120103.db2.gz QZAWGDDMQWTMPU-VXGBXAGGSA-N 2 1 222.336 1.170 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353146789 387145022 /nfs/dbraw/zinc/14/50/22/387145022.db2.gz KOMDNTYPKXLQBF-QWRGUYRKSA-N 2 1 237.347 1.397 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C12CCC2 ZINC000423318174 387159561 /nfs/dbraw/zinc/15/95/61/387159561.db2.gz CTYOPRYSXAKACQ-VWYCJHECSA-N 2 1 212.337 1.271 20 0 BDADMP C[C@H](NCC1(C)CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423322919 387165731 /nfs/dbraw/zinc/16/57/31/387165731.db2.gz HLZGRRMOXCMWSV-RYUDHWBXSA-N 2 1 225.380 1.106 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000353254565 387166695 /nfs/dbraw/zinc/16/66/95/387166695.db2.gz ODIAPFYFGYYUMS-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000423328388 387169764 /nfs/dbraw/zinc/16/97/64/387169764.db2.gz DNTNQJYBNABPAV-MCIONIFRSA-N 3 1 239.407 1.483 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000423328946 387171956 /nfs/dbraw/zinc/17/19/56/387171956.db2.gz OHHAJYIUWHCVFB-GIPNMCIBSA-N 2 1 204.317 1.857 20 0 BDADMP C[N@@H+](CCn1ccnc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000371258714 387184538 /nfs/dbraw/zinc/18/45/38/387184538.db2.gz POWPQAJGQZNCBH-YNEHKIRRSA-N 2 1 249.358 1.628 20 0 BDADMP CN(CC[C@H]1CCC[N@H+]1C)CC[NH+](C)C1CC1 ZINC000186792256 387134503 /nfs/dbraw/zinc/13/45/03/387134503.db2.gz VZJMDYHMUYXWHB-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@H]1CCC[NH+]1C)CC[N@H+](C)C1CC1 ZINC000186792256 387134508 /nfs/dbraw/zinc/13/45/08/387134508.db2.gz VZJMDYHMUYXWHB-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@H]1CCC[NH+]1C)CC[N@@H+](C)C1CC1 ZINC000186792256 387134513 /nfs/dbraw/zinc/13/45/13/387134513.db2.gz VZJMDYHMUYXWHB-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000228858862 387135374 /nfs/dbraw/zinc/13/53/74/387135374.db2.gz ZHLRSKLQCTZZLG-OCCSQVGLSA-N 2 1 233.359 1.949 20 0 BDADMP CC[N@@H+](C)CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423356532 387208086 /nfs/dbraw/zinc/20/80/86/387208086.db2.gz KDYRZJAABPCNED-LLVKDONJSA-N 2 1 249.358 1.388 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCCCN1 ZINC000423427129 387252619 /nfs/dbraw/zinc/25/26/19/387252619.db2.gz IEIXUYWTQBLZTN-XQQFMLRXSA-N 2 1 227.396 1.624 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336379561 387209220 /nfs/dbraw/zinc/20/92/20/387209220.db2.gz ULASZLQHLOSEJB-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336379561 387209223 /nfs/dbraw/zinc/20/92/23/387209223.db2.gz ULASZLQHLOSEJB-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336379561 387209227 /nfs/dbraw/zinc/20/92/27/387209227.db2.gz ULASZLQHLOSEJB-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423360424 387212767 /nfs/dbraw/zinc/21/27/67/387212767.db2.gz LJTLKKLACYHJSP-UTUOFQBUSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423364920 387215510 /nfs/dbraw/zinc/21/55/10/387215510.db2.gz KDURKZSJVJKYHS-QNWHQSFQSA-N 2 1 226.364 1.519 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423366941 387217792 /nfs/dbraw/zinc/21/77/92/387217792.db2.gz LXTVPSSKSBTJJR-LOWDOPEQSA-N 2 1 225.380 1.363 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423367345 387219343 /nfs/dbraw/zinc/21/93/43/387219343.db2.gz MEYLSLJUEXQJBB-QCNOEVLYSA-N 2 1 224.348 1.271 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423367973 387220407 /nfs/dbraw/zinc/22/04/07/387220407.db2.gz ZIIUOURQTVRHHI-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353528747 387222958 /nfs/dbraw/zinc/22/29/58/387222958.db2.gz HPJSAZKHDRNHMW-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP C(CN1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000094461256 387223948 /nfs/dbraw/zinc/22/39/48/387223948.db2.gz ZNMXEVCGPFSLSR-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423369794 387224290 /nfs/dbraw/zinc/22/42/90/387224290.db2.gz OQOQBVGKCIPATB-JOYOIKCWSA-N 2 1 220.316 1.619 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)F)c2ccccc21 ZINC000300554185 387228493 /nfs/dbraw/zinc/22/84/93/387228493.db2.gz DMJQQHKPNFUYGU-MXWKQRLJSA-N 2 1 242.269 1.347 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416415 387248201 /nfs/dbraw/zinc/24/82/01/387248201.db2.gz CMTBAWWBWFIRAT-XUXIUFHCSA-N 3 1 239.407 1.339 20 0 BDADMP C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000423420665 387249892 /nfs/dbraw/zinc/24/98/92/387249892.db2.gz JMRBZCUKFVNRRT-XDQVBPFNSA-N 2 1 239.407 1.482 20 0 BDADMP CC[C@@H](C[C@H](C)CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000360249690 387250815 /nfs/dbraw/zinc/25/08/15/387250815.db2.gz DODAWLUVVGDJJO-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353396414 387195026 /nfs/dbraw/zinc/19/50/26/387195026.db2.gz SUGCOPBELBJMSX-FQUUOJAGSA-N 2 1 240.391 1.610 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643496166 387196228 /nfs/dbraw/zinc/19/62/28/387196228.db2.gz IITRXDKSBNEVCI-CYBMUJFWSA-N 2 1 204.317 1.482 20 0 BDADMP [NH3+]CC(F)(F)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423348966 387199265 /nfs/dbraw/zinc/19/92/65/387199265.db2.gz VJWCOYSEENQTRL-QWRGUYRKSA-N 2 1 241.285 1.315 20 0 BDADMP [NH3+]CC(F)(F)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423348965 387199581 /nfs/dbraw/zinc/19/95/81/387199581.db2.gz VJWCOYSEENQTRL-MNOVXSKESA-N 2 1 241.285 1.315 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423382984 387266613 /nfs/dbraw/zinc/26/66/13/387266613.db2.gz OYNGGDVOYOWKMR-GRYCIOLGSA-N 2 1 213.369 1.057 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000423385736 387266969 /nfs/dbraw/zinc/26/69/69/387266969.db2.gz RAAKHCXBNZRJFH-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP CC[NH2+][C@H](C)CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423385216 387268772 /nfs/dbraw/zinc/26/87/72/387268772.db2.gz QQBNQVDZHPPKJD-WOPDTQHZSA-N 2 1 225.380 1.199 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000285849775 387287477 /nfs/dbraw/zinc/28/74/77/387287477.db2.gz HZRPACJDOJQUKI-GXSJLCMTSA-N 2 1 225.361 1.533 20 0 BDADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423444739 387294929 /nfs/dbraw/zinc/29/49/29/387294929.db2.gz XFBCKCPFRBRIOB-BARDWOONSA-N 2 1 244.338 1.490 20 0 BDADMP CCOc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423446735 387295066 /nfs/dbraw/zinc/29/50/66/387295066.db2.gz YYROGVZBUWIWCQ-RABLLNBGSA-N 2 1 246.354 1.954 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)[C@H](C)O1 ZINC000648560416 387300067 /nfs/dbraw/zinc/30/00/67/387300067.db2.gz HBHYXGVUGXSBDY-VOAKCMCISA-N 2 1 249.358 1.601 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000258842888 387302875 /nfs/dbraw/zinc/30/28/75/387302875.db2.gz DVEXNQGONOXNOF-NWDGAFQWSA-N 2 1 208.280 1.795 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccncc1 ZINC000423459801 387308627 /nfs/dbraw/zinc/30/86/27/387308627.db2.gz IKAXYTNULFOKIK-NHCYSSNCSA-N 2 1 207.321 1.858 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423525520 387355974 /nfs/dbraw/zinc/35/59/74/387355974.db2.gz UHPGGYNIGIVIGH-QWRGUYRKSA-N 2 1 240.372 1.777 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423527390 387356129 /nfs/dbraw/zinc/35/61/29/387356129.db2.gz MGOLYCMTPQGMOS-FZMZJTMJSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)C[N@H+]1C1CC1 ZINC000643501583 387356911 /nfs/dbraw/zinc/35/69/11/387356911.db2.gz LLYREGGCYPXKEL-JHJVBQTASA-N 2 1 237.391 1.343 20 0 BDADMP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cn1 ZINC000643464515 387365631 /nfs/dbraw/zinc/36/56/31/387365631.db2.gz OUQGPBYYDMRIKQ-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000515338117 387366792 /nfs/dbraw/zinc/36/67/92/387366792.db2.gz WSSVUGFKEOXFAY-ZDUSSCGKSA-N 2 1 244.342 1.699 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000373430794 387367360 /nfs/dbraw/zinc/36/73/60/387367360.db2.gz ILYKGJVBOSRWDI-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000423544396 387368982 /nfs/dbraw/zinc/36/89/82/387368982.db2.gz CXQYRYBJYNXWTQ-NEPJUHHUSA-N 2 1 212.337 1.143 20 0 BDADMP C1C[C@H]2C[C@@H](N[C@H]3CCCC[NH2+]C3)CC[N@H+]2C1 ZINC000423550960 387373690 /nfs/dbraw/zinc/37/36/90/387373690.db2.gz IVTYCPHPDVWZJK-IHRRRGAJSA-N 2 1 237.391 1.345 20 0 BDADMP CCN1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423561764 387376946 /nfs/dbraw/zinc/37/69/46/387376946.db2.gz QBSZJBWURCRBMN-UHFFFAOYSA-N 2 1 237.391 1.370 20 0 BDADMP C[NH+](C)C[C@@H]1CN([C@@H]2CCC(C)(C)C2)CCO1 ZINC000372976852 387338704 /nfs/dbraw/zinc/33/87/04/387338704.db2.gz RSMQSZXAIZAPGI-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP COC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C(C)C ZINC000423508692 387344579 /nfs/dbraw/zinc/34/45/79/387344579.db2.gz JBGQURVGYMGNFX-CHWSQXEVSA-N 2 1 228.380 1.765 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423514138 387347237 /nfs/dbraw/zinc/34/72/37/387347237.db2.gz MBSZRXLWDQVWDS-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000423518394 387350708 /nfs/dbraw/zinc/35/07/08/387350708.db2.gz ONFWARTVMLTENA-HZSPNIEDSA-N 2 1 237.391 1.058 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423517187 387351114 /nfs/dbraw/zinc/35/11/14/387351114.db2.gz OBWZCNPWXBLTSR-UONOGXRCSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCSC2)C[NH2+]1 ZINC000306573032 387426595 /nfs/dbraw/zinc/42/65/95/387426595.db2.gz HXUZDOPKTPJPAP-OUAUKWLOSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000643466270 387386287 /nfs/dbraw/zinc/38/62/87/387386287.db2.gz OAZNFKCZAVSVMJ-STQMWFEESA-N 2 1 240.391 1.517 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336562048 387389146 /nfs/dbraw/zinc/38/91/46/387389146.db2.gz XJYYLGADNWCFJI-OLZOCXBDSA-N 2 1 231.343 1.310 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000040622689 387498835 /nfs/dbraw/zinc/49/88/35/387498835.db2.gz GNJURWCLBHNZLO-GFCCVEGCSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H](CC1CCOCC1)[NH2+]CC[NH2+]C1CC1 ZINC000643505825 387463961 /nfs/dbraw/zinc/46/39/61/387463961.db2.gz AOEAHSSRQQGUSA-NSHDSACASA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000643506041 387465992 /nfs/dbraw/zinc/46/59/92/387465992.db2.gz IWHRHUKRWNBGSU-LLVKDONJSA-N 3 1 225.380 1.058 20 0 BDADMP CCc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000352739323 387466338 /nfs/dbraw/zinc/46/63/38/387466338.db2.gz XTZPYINQRAMOTF-UHFFFAOYSA-N 2 1 245.370 1.996 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000643506289 387467019 /nfs/dbraw/zinc/46/70/19/387467019.db2.gz QZFWTWMABQTAOI-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000352766354 387468621 /nfs/dbraw/zinc/46/86/21/387468621.db2.gz WICHDASYENUEMI-CYBMUJFWSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000422716673 387628227 /nfs/dbraw/zinc/62/82/27/387628227.db2.gz UYNQRBPDFCYSIN-STQMWFEESA-N 3 1 239.407 1.306 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000643512928 387597029 /nfs/dbraw/zinc/59/70/29/387597029.db2.gz LGEMQNIEAZHGLG-QJPTWQEYSA-N 2 1 212.337 1.271 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643514292 387599191 /nfs/dbraw/zinc/59/91/91/387599191.db2.gz DGEPXSWBWWOFMT-JSGCOSHPSA-N 3 1 241.423 1.824 20 0 BDADMP CCOC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422638736 387610922 /nfs/dbraw/zinc/61/09/22/387610922.db2.gz RHAQRPIDVSTSQP-TUAOUCFPSA-N 2 1 242.363 1.245 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422689966 387613459 /nfs/dbraw/zinc/61/34/59/387613459.db2.gz FXYAAHOYWNKHGE-NEPJUHHUSA-N 2 1 248.374 1.487 20 0 BDADMP CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCC[NH2+]1 ZINC000422695386 387613841 /nfs/dbraw/zinc/61/38/41/387613841.db2.gz PUDCUKLMWQUWEI-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCCO1)c1c[nH+]ccc1N ZINC000422701025 387615686 /nfs/dbraw/zinc/61/56/86/387615686.db2.gz HVVKVIFPCNIXRG-WDEREUQCSA-N 2 1 235.331 1.714 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422700642 387615824 /nfs/dbraw/zinc/61/58/24/387615824.db2.gz AMYRHQHBHRGFHV-WCFLWFBJSA-N 2 1 228.380 1.371 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1c[nH+]ccc1N ZINC000422705500 387621293 /nfs/dbraw/zinc/62/12/93/387621293.db2.gz RQIOKCHIBVWRJH-GUBZILKMSA-N 2 1 205.305 1.801 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000305651443 387623371 /nfs/dbraw/zinc/62/33/71/387623371.db2.gz CDFYVSCOOLYWIO-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)CC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000305651443 387623375 /nfs/dbraw/zinc/62/33/75/387623375.db2.gz CDFYVSCOOLYWIO-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)CC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000305651443 387623381 /nfs/dbraw/zinc/62/33/81/387623381.db2.gz CDFYVSCOOLYWIO-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422708543 387623414 /nfs/dbraw/zinc/62/34/14/387623414.db2.gz JBRPMMDMTHMPFX-UONOGXRCSA-N 2 1 241.423 1.968 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422708263 387623726 /nfs/dbraw/zinc/62/37/26/387623726.db2.gz ISTVTSITBPASTD-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@H](O)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000305661117 387624494 /nfs/dbraw/zinc/62/44/94/387624494.db2.gz XYTBPAGTCRULQY-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1ccn2cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])nc2c1 ZINC000422710822 387625300 /nfs/dbraw/zinc/62/53/00/387625300.db2.gz GEFRZBKYLRNZBS-NEPJUHHUSA-N 2 1 246.358 1.858 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422712485 387626203 /nfs/dbraw/zinc/62/62/03/387626203.db2.gz OHIRKFQXEDKTNB-RYUDHWBXSA-N 2 1 215.385 1.434 20 0 BDADMP CCCCN(C)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422712485 387626206 /nfs/dbraw/zinc/62/62/06/387626206.db2.gz OHIRKFQXEDKTNB-RYUDHWBXSA-N 2 1 215.385 1.434 20 0 BDADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305107251 387554558 /nfs/dbraw/zinc/55/45/58/387554558.db2.gz DKTIDKJKMRVGAO-KYOSRNDESA-N 2 1 248.370 1.432 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000305119121 387555840 /nfs/dbraw/zinc/55/58/40/387555840.db2.gz JAVFHMGPNPNBGJ-RYMFRWLXSA-N 2 1 242.407 1.712 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305111660 387556131 /nfs/dbraw/zinc/55/61/31/387556131.db2.gz GEBJVDUWZLMOLK-IGQOVBAYSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H]1[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000399588420 387557269 /nfs/dbraw/zinc/55/72/69/387557269.db2.gz JUBYIHHUBNDEQW-HKUMRIAESA-N 2 1 240.391 1.418 20 0 BDADMP C[C@H]1[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000399588420 387557275 /nfs/dbraw/zinc/55/72/75/387557275.db2.gz JUBYIHHUBNDEQW-HKUMRIAESA-N 2 1 240.391 1.418 20 0 BDADMP C[C@H]1[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000399588420 387557279 /nfs/dbraw/zinc/55/72/79/387557279.db2.gz JUBYIHHUBNDEQW-HKUMRIAESA-N 2 1 240.391 1.418 20 0 BDADMP C[C@H]1[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000399588420 387557282 /nfs/dbraw/zinc/55/72/82/387557282.db2.gz JUBYIHHUBNDEQW-HKUMRIAESA-N 2 1 240.391 1.418 20 0 BDADMP Cc1ccc2nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cn2c1 ZINC000422721871 387632991 /nfs/dbraw/zinc/63/29/91/387632991.db2.gz WFYOUXRKTJXRIK-RYUDHWBXSA-N 2 1 246.358 1.858 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422727588 387635601 /nfs/dbraw/zinc/63/56/01/387635601.db2.gz HNAFLEQPNKEFQT-UONOGXRCSA-N 3 1 241.423 1.968 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422727588 387635606 /nfs/dbraw/zinc/63/56/06/387635606.db2.gz HNAFLEQPNKEFQT-UONOGXRCSA-N 3 1 241.423 1.968 20 0 BDADMP CC(C)CCOCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126780188 387694829 /nfs/dbraw/zinc/69/48/29/387694829.db2.gz JWCMYBGIFQADRC-CYBMUJFWSA-N 2 1 228.380 1.718 20 0 BDADMP CC(C)CCOCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000126780188 387694834 /nfs/dbraw/zinc/69/48/34/387694834.db2.gz JWCMYBGIFQADRC-CYBMUJFWSA-N 2 1 228.380 1.718 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000643518506 387648828 /nfs/dbraw/zinc/64/88/28/387648828.db2.gz QJIMMODFAJPSQJ-ZWNOBZJWSA-N 2 1 236.363 1.758 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000422745037 387649205 /nfs/dbraw/zinc/64/92/05/387649205.db2.gz ULNHMXKGGOQHQF-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527642064 387650310 /nfs/dbraw/zinc/65/03/10/387650310.db2.gz XEKSHERBFFIFDZ-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP CSC[C@@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422755207 387659037 /nfs/dbraw/zinc/65/90/37/387659037.db2.gz KMFHGSYAOUTHPU-GMTAPVOTSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643519711 387659783 /nfs/dbraw/zinc/65/97/83/387659783.db2.gz PMPJIUXPFMQXNT-BXUZGUMPSA-N 2 1 218.344 1.871 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422765517 387665698 /nfs/dbraw/zinc/66/56/98/387665698.db2.gz WJAGNYYNFOFBRB-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422765517 387665702 /nfs/dbraw/zinc/66/57/02/387665702.db2.gz WJAGNYYNFOFBRB-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422765784 387666294 /nfs/dbraw/zinc/66/62/94/387666294.db2.gz LFHBSHLBOKYEJU-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1C ZINC000422768950 387668139 /nfs/dbraw/zinc/66/81/39/387668139.db2.gz VDTNENDRTAHMOC-QWHCGFSZSA-N 2 1 234.343 1.973 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422772149 387670198 /nfs/dbraw/zinc/67/01/98/387670198.db2.gz YXDKWMFWXYVATC-AGIUHOORSA-N 2 1 242.407 1.904 20 0 BDADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H]2CCCO[C@@H]21 ZINC000422775849 387672179 /nfs/dbraw/zinc/67/21/79/387672179.db2.gz BMODXOXRZILATL-KXNHARMFSA-N 2 1 224.348 1.142 20 0 BDADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H]2CCCO[C@H]21 ZINC000422775850 387672369 /nfs/dbraw/zinc/67/23/69/387672369.db2.gz BMODXOXRZILATL-WRWGMCAJSA-N 2 1 224.348 1.142 20 0 BDADMP CC[C@@H](NCCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422775988 387673047 /nfs/dbraw/zinc/67/30/47/387673047.db2.gz CUDGHMRMVAZTCT-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000422780238 387676890 /nfs/dbraw/zinc/67/68/90/387676890.db2.gz JFHOHHWVJGYWCT-MJBXVCDLSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1C[C@H]1C1CC1 ZINC000527726550 387677279 /nfs/dbraw/zinc/67/72/79/387677279.db2.gz JJARKJBSSFPKDX-SWHYSGLUSA-N 2 1 233.359 1.987 20 0 BDADMP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000422778626 387678447 /nfs/dbraw/zinc/67/84/47/387678447.db2.gz HMDNJIJWQIBBRE-RFGFWPKPSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCN1C ZINC000422778626 387678450 /nfs/dbraw/zinc/67/84/50/387678450.db2.gz HMDNJIJWQIBBRE-RFGFWPKPSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000422778626 387678454 /nfs/dbraw/zinc/67/84/54/387678454.db2.gz HMDNJIJWQIBBRE-RFGFWPKPSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000422778626 387678459 /nfs/dbraw/zinc/67/84/59/387678459.db2.gz HMDNJIJWQIBBRE-RFGFWPKPSA-N 3 1 239.407 1.447 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000126363728 387680676 /nfs/dbraw/zinc/68/06/76/387680676.db2.gz CZBKVARVXZXKDF-RISCZKNCSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])CC[N@H+]1C ZINC000422784072 387684427 /nfs/dbraw/zinc/68/44/27/387684427.db2.gz PFYHGSQHOQRGNX-AAVRWANBSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422786118 387686732 /nfs/dbraw/zinc/68/67/32/387686732.db2.gz SBCMXWLZTMSTBV-ZDEQEGDKSA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC000422743796 387690661 /nfs/dbraw/zinc/69/06/61/387690661.db2.gz RWTOWDRIBUDBGW-BFHYXJOUSA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422743796 387690666 /nfs/dbraw/zinc/69/06/66/387690666.db2.gz RWTOWDRIBUDBGW-BFHYXJOUSA-N 3 1 241.423 1.822 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422743796 387690668 /nfs/dbraw/zinc/69/06/68/387690668.db2.gz RWTOWDRIBUDBGW-BFHYXJOUSA-N 3 1 241.423 1.822 20 0 BDADMP C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422743905 387691102 /nfs/dbraw/zinc/69/11/02/387691102.db2.gz SDDZISNOVSUJHI-MRVWCRGKSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N(C)C1CC1 ZINC000422743905 387691106 /nfs/dbraw/zinc/69/11/06/387691106.db2.gz SDDZISNOVSUJHI-MRVWCRGKSA-N 2 1 239.407 1.719 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422861528 387744973 /nfs/dbraw/zinc/74/49/73/387744973.db2.gz OIYBONWSBPBFDO-MRVWCRGKSA-N 2 1 237.391 1.473 20 0 BDADMP CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422792819 387697253 /nfs/dbraw/zinc/69/72/53/387697253.db2.gz ZMXSERPYVLNFRL-RFGFWPKPSA-N 2 1 239.407 1.589 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C12CC(C1)CO2 ZINC000527790428 387715051 /nfs/dbraw/zinc/71/50/51/387715051.db2.gz OGEZLYQZONGGLN-DKNRTOFZSA-N 2 1 236.359 1.382 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccnc1 ZINC000422823697 387720861 /nfs/dbraw/zinc/72/08/61/387720861.db2.gz DWZSOCJKCWHBNB-AAEUAGOBSA-N 2 1 219.332 1.212 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000422823916 387721114 /nfs/dbraw/zinc/72/11/14/387721114.db2.gz FKXMLVKAISEMEJ-JSGCOSHPSA-N 2 1 240.391 1.923 20 0 BDADMP CC[NH+](CC)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127703014 387722223 /nfs/dbraw/zinc/72/22/23/387722223.db2.gz ADOQIVYVOHPQBD-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP COCCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422829058 387722216 /nfs/dbraw/zinc/72/22/16/387722216.db2.gz UMOSYKAMZVCMDG-NEPJUHHUSA-N 2 1 214.353 1.391 20 0 BDADMP COC1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422834956 387726495 /nfs/dbraw/zinc/72/64/95/387726495.db2.gz IADMTWKRHRIADM-BLYZHGLHSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000422839181 387727679 /nfs/dbraw/zinc/72/76/79/387727679.db2.gz PTZGXFFVCPSOSJ-UHTWSYAYSA-N 3 1 225.380 1.057 20 0 BDADMP CC[N@H+](CC[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422879557 387755782 /nfs/dbraw/zinc/75/57/82/387755782.db2.gz MNMJGZGMWIGVRG-UHFFFAOYSA-N 3 1 241.423 1.824 20 0 BDADMP CC[N@@H+](CC[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422879557 387755784 /nfs/dbraw/zinc/75/57/84/387755784.db2.gz MNMJGZGMWIGVRG-UHFFFAOYSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422855766 387736851 /nfs/dbraw/zinc/73/68/51/387736851.db2.gz FCWKSFFXUFLEFR-RDBSUJKOSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422855766 387736859 /nfs/dbraw/zinc/73/68/59/387736859.db2.gz FCWKSFFXUFLEFR-RDBSUJKOSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000422851722 387738226 /nfs/dbraw/zinc/73/82/26/387738226.db2.gz FVBVFBWYTGCGIB-AGIUHOORSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000422851722 387738232 /nfs/dbraw/zinc/73/82/32/387738232.db2.gz FVBVFBWYTGCGIB-AGIUHOORSA-N 2 1 237.391 1.343 20 0 BDADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527147 387763313 /nfs/dbraw/zinc/76/33/13/387763313.db2.gz DFCJSZOYKAPMBZ-MFKMUULPSA-N 2 1 204.317 1.919 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000643527961 387765484 /nfs/dbraw/zinc/76/54/84/387765484.db2.gz WEDKYZSAJYTBCN-MNOVXSKESA-N 2 1 245.330 1.265 20 0 BDADMP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422911027 387769135 /nfs/dbraw/zinc/76/91/35/387769135.db2.gz JWODGWJZEGKAKG-CHWSQXEVSA-N 2 1 233.359 1.722 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccnc1 ZINC000643528653 387769831 /nfs/dbraw/zinc/76/98/31/387769831.db2.gz MOIVNLDIDXREIM-CMPLNLGQSA-N 2 1 207.321 1.716 20 0 BDADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[NH3+])CC2 ZINC000643528416 387770685 /nfs/dbraw/zinc/77/06/85/387770685.db2.gz IZUMROXADHZHLH-NOZJJQNGSA-N 2 1 220.316 1.619 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422912324 387770886 /nfs/dbraw/zinc/77/08/86/387770886.db2.gz VZVBGVPFLFMIPN-RDBSUJKOSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422912039 387771013 /nfs/dbraw/zinc/77/10/13/387771013.db2.gz VABUOIXBAKLJSJ-MELADBBJSA-N 2 1 241.423 1.966 20 0 BDADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643528828 387772805 /nfs/dbraw/zinc/77/28/05/387772805.db2.gz PRMPHFBKTINGBO-VXNVDRBHSA-N 2 1 225.361 1.766 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422922625 387777511 /nfs/dbraw/zinc/77/75/11/387777511.db2.gz QILYWOTVCHDKLO-SDDRHHMPSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422934356 387783590 /nfs/dbraw/zinc/78/35/90/387783590.db2.gz FMXNORZHYJKXMZ-SRVKXCTJSA-N 2 1 222.336 1.002 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132089776 387787150 /nfs/dbraw/zinc/78/71/50/387787150.db2.gz WWZYGKBGEIAKAZ-KBPBESRZSA-N 2 1 233.359 1.673 20 0 BDADMP C[C@@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCC[NH2+]1 ZINC000422901523 387787511 /nfs/dbraw/zinc/78/75/11/387787511.db2.gz LFZCXGQSDWFIDM-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422977960 387788654 /nfs/dbraw/zinc/78/86/54/387788654.db2.gz YCSPWTSFLOUIPL-JHJVBQTASA-N 2 1 227.396 1.434 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422977960 387788657 /nfs/dbraw/zinc/78/86/57/387788657.db2.gz YCSPWTSFLOUIPL-JHJVBQTASA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422977960 387788661 /nfs/dbraw/zinc/78/86/61/387788661.db2.gz YCSPWTSFLOUIPL-JHJVBQTASA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422977708 387790031 /nfs/dbraw/zinc/79/00/31/387790031.db2.gz XJIWVLMPDUTPRE-KGLIPLIRSA-N 3 1 241.423 1.825 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCOC2)CC[N@H+]1C ZINC000527929304 387794356 /nfs/dbraw/zinc/79/43/56/387794356.db2.gz PKMASZMFVRPQQS-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCOC2)CC[N@H+]1C ZINC000527929302 387794378 /nfs/dbraw/zinc/79/43/78/387794378.db2.gz PKMASZMFVRPQQS-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CSc1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)ccn1 ZINC000422988279 387798964 /nfs/dbraw/zinc/79/89/64/387798964.db2.gz KDXFAVLDJVUQFB-VIFPVBQESA-N 2 1 237.372 1.501 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527982542 387800479 /nfs/dbraw/zinc/80/04/79/387800479.db2.gz SVJDTKARMJNEAC-LRUBOHGLSA-N 2 1 238.375 1.484 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422995859 387803051 /nfs/dbraw/zinc/80/30/51/387803051.db2.gz ZNWGEOGSZCKEME-SKDRFNHKSA-N 2 1 223.320 1.162 20 0 BDADMP COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000423001879 387808192 /nfs/dbraw/zinc/80/81/92/387808192.db2.gz ITJXQEKOMDPROM-KBPBESRZSA-N 2 1 234.343 1.973 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882299 387758200 /nfs/dbraw/zinc/75/82/00/387758200.db2.gz ZWPKZVNPPSAFJH-NWGXIFETSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882299 387758203 /nfs/dbraw/zinc/75/82/03/387758203.db2.gz ZWPKZVNPPSAFJH-NWGXIFETSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000643527049 387761187 /nfs/dbraw/zinc/76/11/87/387761187.db2.gz CGFGHOLDIPYJPE-KCQAQPDRSA-N 2 1 247.386 1.586 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422974472 387823277 /nfs/dbraw/zinc/82/32/77/387823277.db2.gz RCEZBMWNDJREJI-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422974472 387823280 /nfs/dbraw/zinc/82/32/80/387823280.db2.gz RCEZBMWNDJREJI-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422974472 387823284 /nfs/dbraw/zinc/82/32/84/387823284.db2.gz RCEZBMWNDJREJI-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567110352 387824774 /nfs/dbraw/zinc/82/47/74/387824774.db2.gz AEODSVSDQFAYOH-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567110350 387825094 /nfs/dbraw/zinc/82/50/94/387825094.db2.gz AEODSVSDQFAYOH-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CC[N@H+]1C ZINC000313313858 387828563 /nfs/dbraw/zinc/82/85/63/387828563.db2.gz ZSGGOFHFLBSNCA-NEPJUHHUSA-N 2 1 236.363 1.035 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423007523 387829885 /nfs/dbraw/zinc/82/98/85/387829885.db2.gz QUBBOKFUKCPODU-YNEHKIRRSA-N 2 1 228.380 1.373 20 0 BDADMP CC(C)CSCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423014705 387838439 /nfs/dbraw/zinc/83/84/39/387838439.db2.gz PPIHMMAHTKZLEE-NEPJUHHUSA-N 2 1 230.421 1.963 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]CC2(CO)CCC2)c2ccccc21 ZINC000423029051 387846651 /nfs/dbraw/zinc/84/66/51/387846651.db2.gz HMVUXENDJOFYAS-KBPBESRZSA-N 2 1 246.354 1.883 20 0 BDADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423038020 387851558 /nfs/dbraw/zinc/85/15/58/387851558.db2.gz XOARGAKBTHSDTN-AAVRWANBSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1C[NH2+]C1 ZINC000423040278 387854108 /nfs/dbraw/zinc/85/41/08/387854108.db2.gz SYOPHBJGVJQFHI-LBPRGKRZSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000423043122 387855297 /nfs/dbraw/zinc/85/52/97/387855297.db2.gz NIXROLVWNAJPLG-MROQNXINSA-N 2 1 226.364 1.674 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423056129 387862910 /nfs/dbraw/zinc/86/29/10/387862910.db2.gz FCDHUCOJILQYHX-AXFHLTTASA-N 2 1 200.326 1.142 20 0 BDADMP CC(C)=CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423067255 387869950 /nfs/dbraw/zinc/86/99/50/387869950.db2.gz GRKYJDLBJXLQQP-MGPQQGTHSA-N 2 1 238.375 1.699 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527974209 387814011 /nfs/dbraw/zinc/81/40/11/387814011.db2.gz MJRCHHRKJJQQIF-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527974209 387814018 /nfs/dbraw/zinc/81/40/18/387814018.db2.gz MJRCHHRKJJQQIF-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)[N@@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422968072 387816902 /nfs/dbraw/zinc/81/69/02/387816902.db2.gz VKZIIPQRWKNYIS-PBWFPOADSA-N 2 1 239.407 1.589 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422968072 387816908 /nfs/dbraw/zinc/81/69/08/387816908.db2.gz VKZIIPQRWKNYIS-PBWFPOADSA-N 3 1 239.407 1.589 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422968072 387816913 /nfs/dbraw/zinc/81/69/13/387816913.db2.gz VKZIIPQRWKNYIS-PBWFPOADSA-N 3 1 239.407 1.589 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422969259 387819258 /nfs/dbraw/zinc/81/92/58/387819258.db2.gz ZIULBFXMUZZKFW-ZIAGYGMSSA-N 2 1 241.423 1.966 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173491736 387889821 /nfs/dbraw/zinc/88/98/21/387889821.db2.gz AMMUAVZBYRLIKI-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]([NH2+]CC1(CO)CCCC1)c1c[nH+]ccc1N ZINC000423054499 387891729 /nfs/dbraw/zinc/89/17/29/387891729.db2.gz URQRYPSWQAIRAM-LLVKDONJSA-N 2 1 249.358 1.697 20 0 BDADMP C[C@@H]([NH2+]CCC1(O)CCC1)c1c[nH+]ccc1N ZINC000423113827 387896127 /nfs/dbraw/zinc/89/61/27/387896127.db2.gz ZHIBJEZZLJJYDE-SNVBAGLBSA-N 2 1 235.331 1.450 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000423076325 387877109 /nfs/dbraw/zinc/87/71/09/387877109.db2.gz QWVNBKAYDZCJER-WOPDTQHZSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000423100082 387886695 /nfs/dbraw/zinc/88/66/95/387886695.db2.gz GEPSDQJROJIKMW-HOSYDEDBSA-N 2 1 236.363 1.587 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000423141910 387918404 /nfs/dbraw/zinc/91/84/04/387918404.db2.gz SJBCBHYYYCUREI-MELADBBJSA-N 2 1 241.423 1.824 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000423141202 387918993 /nfs/dbraw/zinc/91/89/93/387918993.db2.gz OODYDHCQGHOXKG-DCAQKATOSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCC[NH2+]1 ZINC000423124744 387903385 /nfs/dbraw/zinc/90/33/85/387903385.db2.gz OZHKDGPDUFORPE-RYUDHWBXSA-N 2 1 222.336 1.072 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000423125802 387904523 /nfs/dbraw/zinc/90/45/23/387904523.db2.gz AHWSSLWDBBPMCB-JLLWLGSASA-N 2 1 212.337 1.142 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423128048 387905904 /nfs/dbraw/zinc/90/59/04/387905904.db2.gz UTPDVFHAWRUFJH-VXGBXAGGSA-N 2 1 228.380 1.637 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)C(C)(C)C ZINC000444685600 387909350 /nfs/dbraw/zinc/90/93/50/387909350.db2.gz AORSBSQOHRJLMJ-GFCCVEGCSA-N 2 1 239.363 1.578 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423133158 387909365 /nfs/dbraw/zinc/90/93/65/387909365.db2.gz CHAZPGBTAQKELW-BFHYXJOUSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423152390 387930405 /nfs/dbraw/zinc/93/04/05/387930405.db2.gz FUQLFZCZSFDXSY-LOWVWBTDSA-N 2 1 236.363 1.081 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000156125653 387920597 /nfs/dbraw/zinc/92/05/97/387920597.db2.gz HXGPRGUKLQDBHS-NEPJUHHUSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156125653 387920601 /nfs/dbraw/zinc/92/06/01/387920601.db2.gz HXGPRGUKLQDBHS-NEPJUHHUSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156125653 387920606 /nfs/dbraw/zinc/92/06/06/387920606.db2.gz HXGPRGUKLQDBHS-NEPJUHHUSA-N 2 1 213.369 1.010 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423163836 387923259 /nfs/dbraw/zinc/92/32/59/387923259.db2.gz NPAMZXZWMOLLCO-TZMCWYRMSA-N 3 1 239.407 1.578 20 0 BDADMP COCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCCC1 ZINC000423159198 387938008 /nfs/dbraw/zinc/93/80/08/387938008.db2.gz FNHHQINCZBUGCE-CHWSQXEVSA-N 2 1 240.391 1.781 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423159541 387941898 /nfs/dbraw/zinc/94/18/98/387941898.db2.gz FVWMRDSHIIBAPD-RVMXOQNASA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@@H](C)O1 ZINC000392234626 387943493 /nfs/dbraw/zinc/94/34/93/387943493.db2.gz DDEUKDUHCDJRCV-WZRBSPASSA-N 2 1 224.348 1.404 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423162819 387945358 /nfs/dbraw/zinc/94/53/58/387945358.db2.gz QHFWCOJUYPUTIN-WUHRBBMRSA-N 2 1 226.364 1.125 20 0 BDADMP CCSCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000158566742 387958275 /nfs/dbraw/zinc/95/82/75/387958275.db2.gz KCBYDEIZIMXUDC-LLVKDONJSA-N 2 1 216.394 1.671 20 0 BDADMP CCOCCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297406 387958645 /nfs/dbraw/zinc/95/86/45/387958645.db2.gz SNYMTQOHLZSCLQ-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CCOC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300502 387961017 /nfs/dbraw/zinc/96/10/17/387961017.db2.gz WKIFZXJWPGRKNK-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+]CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423176707 387962646 /nfs/dbraw/zinc/96/26/46/387962646.db2.gz CSEZNQFYQKFYDZ-ZDUSSCGKSA-N 2 1 204.317 1.556 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000158773131 387962973 /nfs/dbraw/zinc/96/29/73/387962973.db2.gz OJCBEEGCSPXYIX-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000158773131 387962975 /nfs/dbraw/zinc/96/29/75/387962975.db2.gz OJCBEEGCSPXYIX-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000158773131 387962977 /nfs/dbraw/zinc/96/29/77/387962977.db2.gz OJCBEEGCSPXYIX-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423178652 387963320 /nfs/dbraw/zinc/96/33/20/387963320.db2.gz CIPPMMLKEVAPBU-LPWJVIDDSA-N 2 1 225.380 1.057 20 0 BDADMP CC1(C)[C@@H]([NH2+]CC[NH3+])C[C@@H]1Oc1ccccc1 ZINC000423178398 387964717 /nfs/dbraw/zinc/96/47/17/387964717.db2.gz FTZLMHWAKAZCBH-STQMWFEESA-N 2 1 234.343 1.781 20 0 BDADMP COCCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423178345 387964734 /nfs/dbraw/zinc/96/47/34/387964734.db2.gz BVJVMTDATMIFSE-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000423180096 387965152 /nfs/dbraw/zinc/96/51/52/387965152.db2.gz ICHLCYOQNRDWSL-QWHCGFSZSA-N 2 1 204.317 1.871 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000423188039 387971679 /nfs/dbraw/zinc/97/16/79/387971679.db2.gz QBAMPSWTXGGZTJ-DBIOUOCHSA-N 2 1 200.301 1.737 20 0 BDADMP C[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424337366 387980512 /nfs/dbraw/zinc/98/05/12/387980512.db2.gz KYJJJRCWOQTADJ-ZETCQYMHSA-N 2 1 210.281 1.207 20 0 BDADMP CC1(C)[C@H]([NH2+]CC[NH3+])C[C@@H]1OCc1ccccc1 ZINC000423189221 387973693 /nfs/dbraw/zinc/97/36/93/387973693.db2.gz QPDCNXZGSJZGQZ-KGLIPLIRSA-N 2 1 248.370 1.919 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1c[nH+]ccc1N ZINC000423188797 387974312 /nfs/dbraw/zinc/97/43/12/387974312.db2.gz QKJDKAXHUJQNCO-WISYIIOYSA-N 2 1 249.358 1.958 20 0 BDADMP C[N@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423191488 387975564 /nfs/dbraw/zinc/97/55/64/387975564.db2.gz UFVYZTFIAOBQKD-IHRRRGAJSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423191488 387975568 /nfs/dbraw/zinc/97/55/68/387975568.db2.gz UFVYZTFIAOBQKD-IHRRRGAJSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423191488 387975572 /nfs/dbraw/zinc/97/55/72/387975572.db2.gz UFVYZTFIAOBQKD-IHRRRGAJSA-N 3 1 237.391 1.201 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158968014 387976855 /nfs/dbraw/zinc/97/68/55/387976855.db2.gz FAALJTOTVAJJAB-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158968014 387976858 /nfs/dbraw/zinc/97/68/58/387976858.db2.gz FAALJTOTVAJJAB-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158968014 387976862 /nfs/dbraw/zinc/97/68/62/387976862.db2.gz FAALJTOTVAJJAB-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCO[C@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C ZINC000423192000 387977848 /nfs/dbraw/zinc/97/78/48/387977848.db2.gz UZDWNJPHHNVZJI-MNOVXSKESA-N 2 1 214.353 1.519 20 0 BDADMP CCCC[N@@H+](CCOCC[NH3+])C1CC1 ZINC000086435500 135084173 /nfs/dbraw/zinc/08/41/73/135084173.db2.gz TXVCDZPPVCWHPH-UHFFFAOYSA-N 2 1 200.326 1.226 20 0 BDADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[NH3+] ZINC000423196099 387982605 /nfs/dbraw/zinc/98/26/05/387982605.db2.gz YUYBAWOVVGIMDU-ZDUSSCGKSA-N 2 1 240.322 1.322 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424375413 387998765 /nfs/dbraw/zinc/99/87/65/387998765.db2.gz NBTJCQZACCZERZ-REWJHTLYSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424375175 387999438 /nfs/dbraw/zinc/99/94/38/387999438.db2.gz MMZXZBLTMTXJBH-ZRJCITRHSA-N 2 1 237.391 1.329 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1(C(=O)OC)CCC1 ZINC000423220699 388002419 /nfs/dbraw/zinc/00/24/19/388002419.db2.gz YGPJUUQDUDCMAD-MNOVXSKESA-N 2 1 240.347 1.060 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423241026 388024090 /nfs/dbraw/zinc/02/40/90/388024090.db2.gz HRJHTUFZFNALAU-NEPJUHHUSA-N 2 1 228.380 1.778 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423241028 388024594 /nfs/dbraw/zinc/02/45/94/388024594.db2.gz HRJHTUFZFNALAU-RYUDHWBXSA-N 2 1 228.380 1.778 20 0 BDADMP C([C@H]1CC[N@@H+](C[C@H]2CCCO2)C1)[NH+]1CCCC1 ZINC000246155971 388015214 /nfs/dbraw/zinc/01/52/14/388015214.db2.gz GUHUDIHUGSTLQL-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229383 388015743 /nfs/dbraw/zinc/01/57/43/388015743.db2.gz BCEGHWRUOSGYHV-LPWJVIDDSA-N 2 1 225.380 1.057 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000423236392 388021304 /nfs/dbraw/zinc/02/13/04/388021304.db2.gz CFRZMEOVCXUVFG-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](C)C1CCSCC1 ZINC000423239379 388022546 /nfs/dbraw/zinc/02/25/46/388022546.db2.gz GFDUEAPAPZTVAA-SNVBAGLBSA-N 2 1 216.394 1.717 20 0 BDADMP CNC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423265448 388044535 /nfs/dbraw/zinc/04/45/35/388044535.db2.gz RCMJRQPTNSKTIZ-CMPLNLGQSA-N 2 1 241.379 1.008 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCOC[C@@H]1C ZINC000423263178 388040502 /nfs/dbraw/zinc/04/05/02/388040502.db2.gz OABJCVWOQIECPE-TUAOUCFPSA-N 2 1 214.353 1.374 20 0 BDADMP COC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000423263454 388041878 /nfs/dbraw/zinc/04/18/78/388041878.db2.gz OKESIXIEFPORSE-KGLIPLIRSA-N 2 1 240.391 1.909 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCO[C@H]1C ZINC000423263542 388042458 /nfs/dbraw/zinc/04/24/58/388042458.db2.gz OSNQSIXFNINORI-AXFHLTTASA-N 2 1 200.326 1.127 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000083421775 388052108 /nfs/dbraw/zinc/05/21/08/388052108.db2.gz UJGQEAFLMIVLKR-ZIAGYGMSSA-N 2 1 248.374 1.619 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000083421775 388052110 /nfs/dbraw/zinc/05/21/10/388052110.db2.gz UJGQEAFLMIVLKR-ZIAGYGMSSA-N 2 1 248.374 1.619 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000423272287 388052101 /nfs/dbraw/zinc/05/21/01/388052101.db2.gz JSXPZKYYCVMFHZ-VXGBXAGGSA-N 2 1 238.379 1.970 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000423273478 388053806 /nfs/dbraw/zinc/05/38/06/388053806.db2.gz IZVRGLBCYMOITR-AGIUHOORSA-N 2 1 208.349 1.892 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)C1CC1 ZINC000423274964 388054748 /nfs/dbraw/zinc/05/47/48/388054748.db2.gz KZPNUXVGFQMURN-ZIAGYGMSSA-N 2 1 246.354 1.707 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccccn1 ZINC000423276981 388058667 /nfs/dbraw/zinc/05/86/67/388058667.db2.gz PDWMHYVJOTTYDH-GHMZBOCLSA-N 2 1 207.321 1.588 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423280862 388062245 /nfs/dbraw/zinc/06/22/45/388062245.db2.gz SYYLSJIXYCKHAK-JOYOIKCWSA-N 2 1 208.305 1.538 20 0 BDADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccncc1 ZINC000423285501 388068943 /nfs/dbraw/zinc/06/89/43/388068943.db2.gz YIYBDVVMZQWEAW-CHWSQXEVSA-N 2 1 219.332 1.860 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C12CCC2 ZINC000423284859 388068948 /nfs/dbraw/zinc/06/89/48/388068948.db2.gz XHCBBAMTJKXYSW-JHJVBQTASA-N 2 1 238.375 1.661 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423284823 388069516 /nfs/dbraw/zinc/06/95/16/388069516.db2.gz YQGOBICJZMKQDW-NQBHXWOUSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453393571 388069796 /nfs/dbraw/zinc/06/97/96/388069796.db2.gz VFMBYQQIMFAFKW-RKQHYHRCSA-N 2 1 240.391 1.466 20 0 BDADMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1cnn(C)c1 ZINC000423286440 388071528 /nfs/dbraw/zinc/07/15/28/388071528.db2.gz HIIGFGPZZJCRTN-GFCCVEGCSA-N 2 1 238.379 1.978 20 0 BDADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423289481 388075154 /nfs/dbraw/zinc/07/51/54/388075154.db2.gz BBOTUQGKDZQYGI-LEWSCRJBSA-N 3 1 233.359 1.676 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCO[C@H](C)C1 ZINC000423295255 388077363 /nfs/dbraw/zinc/07/73/63/388077363.db2.gz DTWUEGVPMHIEPB-GRYCIOLGSA-N 2 1 214.353 1.661 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCO[C@H]1C ZINC000423296692 388078239 /nfs/dbraw/zinc/07/82/39/388078239.db2.gz HJTOTZPKKOTURJ-AXFHLTTASA-N 2 1 200.326 1.271 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423297637 388080261 /nfs/dbraw/zinc/08/02/61/388080261.db2.gz LCNLVUUUYVVLGM-BZPMIXESSA-N 2 1 239.407 1.576 20 0 BDADMP C[N@@H+](CCCC[NH2+]CC[C@@H]1CCOC1)C1CC1 ZINC000453598837 388090111 /nfs/dbraw/zinc/09/01/11/388090111.db2.gz QLRQVQULMVFXIG-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789730 388096474 /nfs/dbraw/zinc/09/64/74/388096474.db2.gz BCOWBZSNNIOVQM-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789730 388096477 /nfs/dbraw/zinc/09/64/77/388096477.db2.gz BCOWBZSNNIOVQM-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCCN1 ZINC000333286312 388101285 /nfs/dbraw/zinc/10/12/85/388101285.db2.gz NKBQXYZOLQSCIT-YWPUVAFDSA-N 2 1 225.380 1.377 20 0 BDADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)no1 ZINC000086703063 388106720 /nfs/dbraw/zinc/10/67/20/388106720.db2.gz YHLQKMXLISHVLB-UHFFFAOYSA-N 2 1 223.320 1.414 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cncs1 ZINC000423267921 388047066 /nfs/dbraw/zinc/04/70/66/388047066.db2.gz FNZQUOUZDQDAIX-RKDXNWHRSA-N 2 1 213.350 1.649 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423269608 388049916 /nfs/dbraw/zinc/04/99/16/388049916.db2.gz VXIJHSVNEMPMBT-YNEHKIRRSA-N 2 1 227.396 1.432 20 0 BDADMP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cs1 ZINC000449243014 388161694 /nfs/dbraw/zinc/16/16/94/388161694.db2.gz HGTYALZOSHILCP-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cs1 ZINC000449243014 388161695 /nfs/dbraw/zinc/16/16/95/388161695.db2.gz HGTYALZOSHILCP-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP CCc1cc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC000450437960 388256124 /nfs/dbraw/zinc/25/61/24/388256124.db2.gz LRWVUDYWTYHLBA-BXUZGUMPSA-N 2 1 233.359 1.961 20 0 BDADMP CC[C@H]1C[N@H+](CC(C)(C)[NH3+])CCCO1 ZINC000261528763 135153995 /nfs/dbraw/zinc/15/39/95/135153995.db2.gz NPJSVJWZVDWFCK-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP CC[C@H]1C[N@@H+](CC(C)(C)[NH3+])CCCO1 ZINC000261528763 135153997 /nfs/dbraw/zinc/15/39/97/135153997.db2.gz NPJSVJWZVDWFCK-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@](C)(F)C2)CC[NH2+]C1 ZINC000261528752 135154268 /nfs/dbraw/zinc/15/42/68/135154268.db2.gz VZXFHDHCZSYDRT-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@]1(C[N@@H+]2CC[C@](C)(F)C2)CC[NH2+]C1 ZINC000261528752 135154269 /nfs/dbraw/zinc/15/42/69/135154269.db2.gz VZXFHDHCZSYDRT-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP CCSCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261529968 135156674 /nfs/dbraw/zinc/15/66/74/135156674.db2.gz WJNFIHNZNATSAA-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261529968 135156676 /nfs/dbraw/zinc/15/66/76/135156676.db2.gz WJNFIHNZNATSAA-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H]1[C@H](O)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000451463252 388275630 /nfs/dbraw/zinc/27/56/30/388275630.db2.gz UVEGWHZCQJEFHR-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000163322818 388361245 /nfs/dbraw/zinc/36/12/45/388361245.db2.gz BYLKVGZRLDYSCQ-CHWSQXEVSA-N 2 1 228.380 1.589 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572643164 388363146 /nfs/dbraw/zinc/36/31/46/388363146.db2.gz LLRSYORXGJRULH-MGPQQGTHSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@H](CN)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000235459702 388369361 /nfs/dbraw/zinc/36/93/61/388369361.db2.gz ZEWPYHRIDQCDMH-ZJUUUORDSA-N 2 1 236.315 1.456 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000236648657 388381102 /nfs/dbraw/zinc/38/11/02/388381102.db2.gz FVERNHYCZYTOBH-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316092873 388406040 /nfs/dbraw/zinc/40/60/40/388406040.db2.gz BMICRERHZPOPRA-RTXFEEFZSA-N 2 1 226.364 1.077 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300825247 388396251 /nfs/dbraw/zinc/39/62/51/388396251.db2.gz GSWHNBYKLKMRND-ZJUUUORDSA-N 2 1 218.291 1.845 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300825247 388396253 /nfs/dbraw/zinc/39/62/53/388396253.db2.gz GSWHNBYKLKMRND-ZJUUUORDSA-N 2 1 218.291 1.845 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322705328 388443787 /nfs/dbraw/zinc/44/37/87/388443787.db2.gz MUMGSSRYJHPZGV-JVGWCMFKSA-N 2 1 240.416 1.953 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000397405822 388466848 /nfs/dbraw/zinc/46/68/48/388466848.db2.gz SZQDZOOSZMHUPF-UPJWGTAASA-N 2 1 233.359 1.887 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000316625173 388419741 /nfs/dbraw/zinc/41/97/41/388419741.db2.gz SCSRSGMHLPTSDF-UHTWSYAYSA-N 2 1 226.364 1.268 20 0 BDADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393413503 388429276 /nfs/dbraw/zinc/42/92/76/388429276.db2.gz BUTLZFDGGLYDDM-NAKRPEOUSA-N 2 1 230.302 1.856 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000261539791 135178733 /nfs/dbraw/zinc/17/87/33/135178733.db2.gz DDSPKUOUKYWYOU-JTQLQIEISA-N 2 1 212.337 1.225 20 0 BDADMP Cc1n[nH]cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246084520 388438221 /nfs/dbraw/zinc/43/82/21/388438221.db2.gz ICNPOURVXWHZOJ-GXTWGEPZSA-N 2 1 248.374 1.634 20 0 BDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(C)(C)O)CC1 ZINC000517320801 388546663 /nfs/dbraw/zinc/54/66/63/388546663.db2.gz LPDSOOAJJNGHQI-UHFFFAOYSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@H]1CCOC1 ZINC000339409393 388482168 /nfs/dbraw/zinc/48/21/68/388482168.db2.gz LZIWAJMCJBPEEM-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000397724085 388494856 /nfs/dbraw/zinc/49/48/56/388494856.db2.gz XXOSNBVGRPHJDE-NEPJUHHUSA-N 2 1 226.364 1.412 20 0 BDADMP c1cnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000341879431 388496632 /nfs/dbraw/zinc/49/66/32/388496632.db2.gz UUGHODMPJPHRIA-GXTWGEPZSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000397800444 388500321 /nfs/dbraw/zinc/50/03/21/388500321.db2.gz WCJJSXUQVIGSTF-IGQOVBAYSA-N 2 1 242.407 1.713 20 0 BDADMP N[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000516921188 388524369 /nfs/dbraw/zinc/52/43/69/388524369.db2.gz JHULSIHMJJOJQI-GJZGRUSLSA-N 2 1 245.370 1.720 20 0 BDADMP CO[C@@H](C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000379225270 388599576 /nfs/dbraw/zinc/59/95/76/388599576.db2.gz QZJUZFCHTOIDKC-ZDUSSCGKSA-N 2 1 222.332 1.655 20 0 BDADMP CO[C@H](C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000379225269 388599738 /nfs/dbraw/zinc/59/97/38/388599738.db2.gz QZJUZFCHTOIDKC-CYBMUJFWSA-N 2 1 222.332 1.655 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000186793381 388603825 /nfs/dbraw/zinc/60/38/25/388603825.db2.gz QKULVUDYRQDTFB-YVECIDJPSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000186793381 388603827 /nfs/dbraw/zinc/60/38/27/388603827.db2.gz QKULVUDYRQDTFB-YVECIDJPSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631842927 388610839 /nfs/dbraw/zinc/61/08/39/388610839.db2.gz HMBYCCJLCRYWGS-QWHCGFSZSA-N 2 1 234.343 1.592 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000137438042 388561350 /nfs/dbraw/zinc/56/13/50/388561350.db2.gz UCEJQZSSGDBJCG-STQMWFEESA-N 2 1 248.374 1.346 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000385061713 388573509 /nfs/dbraw/zinc/57/35/09/388573509.db2.gz UPBDZKFUKABZEG-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000385061558 388573859 /nfs/dbraw/zinc/57/38/59/388573859.db2.gz UMRSQPAGKXKTSU-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224552077 388666099 /nfs/dbraw/zinc/66/60/99/388666099.db2.gz QODLWGQMDAFTSR-GRYCIOLGSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224552077 388666102 /nfs/dbraw/zinc/66/61/02/388666102.db2.gz QODLWGQMDAFTSR-GRYCIOLGSA-N 2 1 214.353 1.220 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248142087 388674266 /nfs/dbraw/zinc/67/42/66/388674266.db2.gz PTJYATGIGQCPLR-JHJVBQTASA-N 2 1 228.380 1.466 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC(C)(C)[NH+](C)C)[C@H](C)C1 ZINC000152602107 388678934 /nfs/dbraw/zinc/67/89/34/388678934.db2.gz QQFMOCPIFYZJDS-CHWSQXEVSA-N 3 1 241.423 1.647 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000125970463 388684202 /nfs/dbraw/zinc/68/42/02/388684202.db2.gz NXZWWQQXFVMHTP-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000125970463 388684204 /nfs/dbraw/zinc/68/42/04/388684204.db2.gz NXZWWQQXFVMHTP-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1cnccc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000530210266 388627700 /nfs/dbraw/zinc/62/77/00/388627700.db2.gz IXIOKHQALXZDLO-CYBMUJFWSA-N 2 1 219.332 1.607 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000189378265 388631782 /nfs/dbraw/zinc/63/17/82/388631782.db2.gz WVBDELDAFGVLOG-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@H+]1C ZINC000530222763 388634556 /nfs/dbraw/zinc/63/45/56/388634556.db2.gz RLYCTXTYNUNXGK-UPJWGTAASA-N 2 1 237.391 1.343 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOC)[C@@H](C)C1 ZINC000246440023 388636666 /nfs/dbraw/zinc/63/66/66/388636666.db2.gz DLSVTZIRRIHKAE-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOC)[C@@H](C)C1 ZINC000246440023 388636668 /nfs/dbraw/zinc/63/66/68/388636668.db2.gz DLSVTZIRRIHKAE-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOC)[C@@H](C)C1 ZINC000246440023 388636670 /nfs/dbraw/zinc/63/66/70/388636670.db2.gz DLSVTZIRRIHKAE-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000222914063 388646120 /nfs/dbraw/zinc/64/61/20/388646120.db2.gz GUAFHDFOOHVJFA-NWDGAFQWSA-N 2 1 214.353 1.328 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000246822513 388652967 /nfs/dbraw/zinc/65/29/67/388652967.db2.gz ASHFCNFVAAOVJL-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000246822513 388652969 /nfs/dbraw/zinc/65/29/69/388652969.db2.gz ASHFCNFVAAOVJL-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223767342 388658295 /nfs/dbraw/zinc/65/82/95/388658295.db2.gz QYHWDZUNDSEDRS-TUAOUCFPSA-N 2 1 214.353 1.484 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223767342 388658297 /nfs/dbraw/zinc/65/82/97/388658297.db2.gz QYHWDZUNDSEDRS-TUAOUCFPSA-N 2 1 214.353 1.484 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224354929 388663466 /nfs/dbraw/zinc/66/34/66/388663466.db2.gz XYJXZINTUUSKSR-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250561109 388737752 /nfs/dbraw/zinc/73/77/52/388737752.db2.gz CLYMYOINCGVENM-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000128184758 388740414 /nfs/dbraw/zinc/74/04/14/388740414.db2.gz MXMFYHINECXIKU-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261527424 388743307 /nfs/dbraw/zinc/74/33/07/388743307.db2.gz BALVWQWTFLTEGA-GARJFASQSA-N 2 1 214.378 1.409 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227534557 388752629 /nfs/dbraw/zinc/75/26/29/388752629.db2.gz VITXGOQHFNYKKG-OASPWFOLSA-N 2 1 220.316 1.756 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126269135 388692309 /nfs/dbraw/zinc/69/23/09/388692309.db2.gz MUYLLRQJQFBHQE-OCCSQVGLSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126269135 388692311 /nfs/dbraw/zinc/69/23/11/388692311.db2.gz MUYLLRQJQFBHQE-OCCSQVGLSA-N 2 1 239.407 1.258 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000126407814 388694894 /nfs/dbraw/zinc/69/48/94/388694894.db2.gz MPBZMSWWWNNUSI-AAEUAGOBSA-N 2 1 249.358 1.520 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000126407814 388694897 /nfs/dbraw/zinc/69/48/97/388694897.db2.gz MPBZMSWWWNNUSI-AAEUAGOBSA-N 2 1 249.358 1.520 20 0 BDADMP C[NH+](C)CCSCC[C@@H]1CCC[N@H+]1C ZINC000126768606 388701914 /nfs/dbraw/zinc/70/19/14/388701914.db2.gz JSQVTBOWZCSRDE-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000249088821 388708148 /nfs/dbraw/zinc/70/81/48/388708148.db2.gz NPSLIAGNODBOFK-DGTMBMJNSA-N 2 1 240.391 1.466 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226435748 388719114 /nfs/dbraw/zinc/71/91/14/388719114.db2.gz USKBVAYIXAPIIT-CYBMUJFWSA-N 2 1 234.343 1.824 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226435748 388719115 /nfs/dbraw/zinc/71/91/15/388719115.db2.gz USKBVAYIXAPIIT-CYBMUJFWSA-N 2 1 234.343 1.824 20 0 BDADMP C[N@H+]1CCCC[C@H]1CCN1CCC[NH+](C)CC1 ZINC000552558424 388726052 /nfs/dbraw/zinc/72/60/52/388726052.db2.gz BKCIYVFFUUPVBO-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@H+](C)CC1 ZINC000552558424 388726054 /nfs/dbraw/zinc/72/60/54/388726054.db2.gz BKCIYVFFUUPVBO-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@@H+](C)CC1 ZINC000552558424 388726055 /nfs/dbraw/zinc/72/60/55/388726055.db2.gz BKCIYVFFUUPVBO-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000252143670 388761200 /nfs/dbraw/zinc/76/12/00/388761200.db2.gz NOVIOXLJPNQALI-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CCOCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252710641 388773589 /nfs/dbraw/zinc/77/35/89/388773589.db2.gz HGOGWEQAJWXORT-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715542 388774705 /nfs/dbraw/zinc/77/47/05/388774705.db2.gz VYMZKDPGZQTBDJ-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000252713995 388775540 /nfs/dbraw/zinc/77/55/40/388775540.db2.gz QTHJVLOOGNIUDR-IJLUTSLNSA-N 2 1 228.380 1.323 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000129101376 388816904 /nfs/dbraw/zinc/81/69/04/388816904.db2.gz JUAYGJVZGAVIPP-FZMZJTMJSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000129101376 388816905 /nfs/dbraw/zinc/81/69/05/388816905.db2.gz JUAYGJVZGAVIPP-FZMZJTMJSA-N 2 1 233.359 1.820 20 0 BDADMP Cn1c[nH+]cc1CCSCC1CC[NH2+]CC1 ZINC000564928553 388898265 /nfs/dbraw/zinc/89/82/65/388898265.db2.gz DSQYEOCZFPYGEU-UHFFFAOYSA-N 2 1 239.388 1.695 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1(C)CCCC1 ZINC000565156456 388918945 /nfs/dbraw/zinc/91/89/45/388918945.db2.gz JMWMOFSNBAWDHD-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1(C)CCCC1 ZINC000565156456 388918953 /nfs/dbraw/zinc/91/89/53/388918953.db2.gz JMWMOFSNBAWDHD-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)C1(C)CCCC1 ZINC000565156456 388918942 /nfs/dbraw/zinc/91/89/42/388918942.db2.gz JMWMOFSNBAWDHD-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1(C)CCCC1 ZINC000565156456 388918947 /nfs/dbraw/zinc/91/89/47/388918947.db2.gz JMWMOFSNBAWDHD-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1(C)CCCC1 ZINC000565156456 388918951 /nfs/dbraw/zinc/91/89/51/388918951.db2.gz JMWMOFSNBAWDHD-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000565214573 388927073 /nfs/dbraw/zinc/92/70/73/388927073.db2.gz HOSRIQKYJCMFTI-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1cncc1CCCN1CCO[C@@H](C2CC2)C1 ZINC000565665453 388962009 /nfs/dbraw/zinc/96/20/09/388962009.db2.gz HCTWDIIUBAJTNF-CQSZACIVSA-N 2 1 249.358 1.464 20 0 BDADMP CC[C@@]1(O)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000565370317 388940616 /nfs/dbraw/zinc/94/06/16/388940616.db2.gz SCUDUHOUIYTFTK-CYBMUJFWSA-N 2 1 237.347 1.200 20 0 BDADMP CC[C@@]1(O)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000565370317 388940619 /nfs/dbraw/zinc/94/06/19/388940619.db2.gz SCUDUHOUIYTFTK-CYBMUJFWSA-N 2 1 237.347 1.200 20 0 BDADMP Cc1ccoc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271771792 389024417 /nfs/dbraw/zinc/02/44/17/389024417.db2.gz BTHPITIYNKWBOZ-UHFFFAOYSA-N 2 1 220.316 1.940 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cn[nH]c1 ZINC000275169702 389054084 /nfs/dbraw/zinc/05/40/84/389054084.db2.gz KTQRUTRUKPHJOG-ZYHUDNBSSA-N 2 1 222.336 1.545 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cn[nH]c1 ZINC000275169702 389054088 /nfs/dbraw/zinc/05/40/88/389054088.db2.gz KTQRUTRUKPHJOG-ZYHUDNBSSA-N 2 1 222.336 1.545 20 0 BDADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000334321210 533358180 /nfs/dbraw/zinc/35/81/80/533358180.db2.gz HTIRTGKIYJBANE-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000257742544 533364480 /nfs/dbraw/zinc/36/44/80/533364480.db2.gz ZDVHIDJLPDZWOM-ZIAGYGMSSA-N 2 1 238.375 1.631 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000261997214 533365719 /nfs/dbraw/zinc/36/57/19/533365719.db2.gz KYECFSVHPLATGM-CHWSQXEVSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@@H](NCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400698871 533368510 /nfs/dbraw/zinc/36/85/10/533368510.db2.gz JPXXKUWCIOKZKV-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261537688 533377229 /nfs/dbraw/zinc/37/72/29/533377229.db2.gz WDOVRKWXQRPASI-UTUOFQBUSA-N 2 1 226.389 1.281 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261536642 533377994 /nfs/dbraw/zinc/37/79/94/533377994.db2.gz SHXUNTUVIQCHBC-UTUOFQBUSA-N 2 1 226.389 1.566 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261536642 533378001 /nfs/dbraw/zinc/37/80/01/533378001.db2.gz SHXUNTUVIQCHBC-UTUOFQBUSA-N 2 1 226.389 1.566 20 0 BDADMP Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)nc(C)[nH+]1 ZINC000250959291 132232481 /nfs/dbraw/zinc/23/24/81/132232481.db2.gz GGFWUYNKYAJUTC-VHSXEESVSA-N 2 1 220.320 1.280 20 0 BDADMP Cc1cc(N2CC[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000336355692 132246948 /nfs/dbraw/zinc/24/69/48/132246948.db2.gz ARMQWHAWSCKVPR-NSHDSACASA-N 2 1 205.305 1.530 20 0 BDADMP Cc1c[nH+]ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000357678400 132274362 /nfs/dbraw/zinc/27/43/62/132274362.db2.gz CKIFVJNLYDFEBX-UHFFFAOYSA-N 2 1 243.314 1.440 20 0 BDADMP Cc1cc[nH+]c(N2CCC[C@@H](C[NH3+])C2)c1 ZINC000044532210 132354433 /nfs/dbraw/zinc/35/44/33/132354433.db2.gz LIVRAZVPRNAKOF-NSHDSACASA-N 2 1 205.305 1.565 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167556410 134014753 /nfs/dbraw/zinc/01/47/53/134014753.db2.gz SCGKVLOVEXIXBF-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000336021380 134055540 /nfs/dbraw/zinc/05/55/40/134055540.db2.gz KARIOARJXACXJH-CYBMUJFWSA-N 2 1 249.358 1.805 20 0 BDADMP CC[C@@H](F)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336125082 134092408 /nfs/dbraw/zinc/09/24/08/134092408.db2.gz ZPOLEWSTYKDLMH-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000336126743 134093240 /nfs/dbraw/zinc/09/32/40/134093240.db2.gz GNVCESUNUZSBJF-CABZTGNLSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000336126743 134093241 /nfs/dbraw/zinc/09/32/41/134093241.db2.gz GNVCESUNUZSBJF-CABZTGNLSA-N 2 1 237.347 1.715 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000217415629 134247108 /nfs/dbraw/zinc/24/71/08/134247108.db2.gz BNPHKHRKYREHFA-GFCCVEGCSA-N 2 1 225.380 1.202 20 0 BDADMP CCN(CC[NH2+][C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000217415629 134247109 /nfs/dbraw/zinc/24/71/09/134247109.db2.gz BNPHKHRKYREHFA-GFCCVEGCSA-N 2 1 225.380 1.202 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C1CCC(O)CC1 ZINC000217704606 134250496 /nfs/dbraw/zinc/25/04/96/134250496.db2.gz XPCJSLFYRGDIOX-UHFFFAOYSA-N 2 1 228.380 1.611 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(O)CC1 ZINC000217704606 134250497 /nfs/dbraw/zinc/25/04/97/134250497.db2.gz XPCJSLFYRGDIOX-UHFFFAOYSA-N 2 1 228.380 1.611 20 0 BDADMP CSCC[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000220376927 134306129 /nfs/dbraw/zinc/30/61/29/134306129.db2.gz MEWOGGZDPRZGLL-SECBINFHSA-N 2 1 204.383 1.797 20 0 BDADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C1 ZINC000178958849 134313716 /nfs/dbraw/zinc/31/37/16/134313716.db2.gz BFROUUUEOMLWIE-KSTCHIGDSA-N 2 1 236.359 1.523 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CC(C)(C)O)CC[C@@H]21 ZINC000220947391 134315366 /nfs/dbraw/zinc/31/53/66/134315366.db2.gz GGQHODPQEGBCAE-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CC(C)(C)O)CC[C@@H]21 ZINC000220947391 134315367 /nfs/dbraw/zinc/31/53/67/134315367.db2.gz GGQHODPQEGBCAE-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(C)(C)O)CC[C@@H]21 ZINC000220947391 134315368 /nfs/dbraw/zinc/31/53/68/134315368.db2.gz GGQHODPQEGBCAE-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)CC[N@H+]1C ZINC000221588301 134325479 /nfs/dbraw/zinc/32/54/79/134325479.db2.gz VBXRCEXIOIQSHG-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H]1CCC[C@H](CO)[N@H+]1CCCn1ccnc1 ZINC000181402828 134336044 /nfs/dbraw/zinc/33/60/44/134336044.db2.gz GGSOPCSISLJDLL-QWHCGFSZSA-N 2 1 237.347 1.509 20 0 BDADMP CO[C@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182184027 134342363 /nfs/dbraw/zinc/34/23/63/134342363.db2.gz KWIKCIIRNFSLRB-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000224552754 134348456 /nfs/dbraw/zinc/34/84/56/134348456.db2.gz YJNWMJLMSAGYAG-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000224552754 134348457 /nfs/dbraw/zinc/34/84/57/134348457.db2.gz YJNWMJLMSAGYAG-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[N@@H+](CC)CCNC1CC[NH+](C)CC1 ZINC000226330130 134360171 /nfs/dbraw/zinc/36/01/71/134360171.db2.gz QUDDYHNSQQANBX-UHFFFAOYSA-N 2 1 227.396 1.402 20 0 BDADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1O ZINC000227742246 134392130 /nfs/dbraw/zinc/39/21/30/134392130.db2.gz KLPAWFBOUMBHSB-UHFFFAOYSA-N 2 1 224.304 1.181 20 0 BDADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1C ZINC000227742201 134392564 /nfs/dbraw/zinc/39/25/64/134392564.db2.gz XZJHLCYFOGJRLK-UHFFFAOYSA-N 2 1 222.332 1.784 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCC2)[C@@H](C)C1 ZINC000248409396 135005962 /nfs/dbraw/zinc/00/59/62/135005962.db2.gz FXFPQRNEHWDHOD-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000249212493 135035831 /nfs/dbraw/zinc/03/58/31/135035831.db2.gz SPEJUXBDBMSOIX-NNYUYHANSA-N 2 1 214.353 1.340 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCOC)C1 ZINC000249806391 135045173 /nfs/dbraw/zinc/04/51/73/135045173.db2.gz FVRNVEJMAWKLLJ-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]1CN(C)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000235585297 135048103 /nfs/dbraw/zinc/04/81/03/135048103.db2.gz DOALNLRSWXMMOR-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CCOCCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000250533204 135056055 /nfs/dbraw/zinc/05/60/55/135056055.db2.gz SIWHQOWDFHFOPO-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP CCOCCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000250533204 135056058 /nfs/dbraw/zinc/05/60/58/135056058.db2.gz SIWHQOWDFHFOPO-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP CC(C)CCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000250597436 135056205 /nfs/dbraw/zinc/05/62/05/135056205.db2.gz OWDKQKKIKNWBFC-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000250597436 135056207 /nfs/dbraw/zinc/05/62/07/135056207.db2.gz OWDKQKKIKNWBFC-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCCOC1 ZINC000251416489 135068847 /nfs/dbraw/zinc/06/88/47/135068847.db2.gz OZTUSJLDRGSXEU-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C[C@H]1C ZINC000251664903 135073159 /nfs/dbraw/zinc/07/31/59/135073159.db2.gz GFBLZZVYATVVFG-FVCCEPFGSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)CC[N@@H+]1C ZINC000251721311 135075376 /nfs/dbraw/zinc/07/53/76/135075376.db2.gz CAGYARYUVLWXRE-VWYCJHECSA-N 2 1 214.378 1.564 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)CC[N@H+]1C ZINC000251721311 135075377 /nfs/dbraw/zinc/07/53/77/135075377.db2.gz CAGYARYUVLWXRE-VWYCJHECSA-N 2 1 214.378 1.564 20 0 BDADMP CC[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000086435412 135083984 /nfs/dbraw/zinc/08/39/84/135083984.db2.gz MUMMYILTGIJNEO-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(F)cc1 ZINC000086435464 135084099 /nfs/dbraw/zinc/08/40/99/135084099.db2.gz WIDKBQIUZQZZIW-UHFFFAOYSA-N 2 1 226.295 1.233 20 0 BDADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCOCC[NH3+] ZINC000086435554 135084207 /nfs/dbraw/zinc/08/42/07/135084207.db2.gz CXAAFDIWBKRQLY-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252138036 135084514 /nfs/dbraw/zinc/08/45/14/135084514.db2.gz MTROGMRTUGCPBV-IJLUTSLNSA-N 2 1 213.369 1.009 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@@H]1C ZINC000086435652 135084723 /nfs/dbraw/zinc/08/47/23/135084723.db2.gz JNVGUBHXAMGNHE-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725374 135095238 /nfs/dbraw/zinc/09/52/38/135095238.db2.gz SPHZGKPGBSCXBW-TZMCWYRMSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@H]1CN(c2cc[nH+]cc2Cl)[C@@H](C)C[NH2+]1 ZINC000086840074 135097027 /nfs/dbraw/zinc/09/70/27/135097027.db2.gz VFGRCPHWAKIICA-IUCAKERBSA-N 2 1 225.723 1.922 20 0 BDADMP CCSCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000252688091 135097143 /nfs/dbraw/zinc/09/71/43/135097143.db2.gz NEFYHUHYLDXJSM-QWRGUYRKSA-N 2 1 216.394 1.799 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2Cl)[C@@H](C)C[NH2+]1 ZINC000086840067 135097280 /nfs/dbraw/zinc/09/72/80/135097280.db2.gz VFGRCPHWAKIICA-BDAKNGLRSA-N 2 1 225.723 1.922 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252709123 135098137 /nfs/dbraw/zinc/09/81/37/135098137.db2.gz CBDZBYNSJHVBKC-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252710665 135099325 /nfs/dbraw/zinc/09/93/25/135099325.db2.gz HICVIMXLQSQNIN-GRYCIOLGSA-N 2 1 246.420 1.030 20 0 BDADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252710665 135099326 /nfs/dbraw/zinc/09/93/26/135099326.db2.gz HICVIMXLQSQNIN-GRYCIOLGSA-N 2 1 246.420 1.030 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CCO)[C@@H](C)C1 ZINC000252711202 135099518 /nfs/dbraw/zinc/09/95/18/135099518.db2.gz IVHRTAKALYNPJQ-AGIUHOORSA-N 2 1 228.380 1.325 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000252712318 135099992 /nfs/dbraw/zinc/09/99/92/135099992.db2.gz MBVIMNSXNKLOCU-NDBYEHHHSA-N 2 1 210.365 1.962 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252714490 135101267 /nfs/dbraw/zinc/10/12/67/135101267.db2.gz SCGKVLOVEXIXBF-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252758097 135107649 /nfs/dbraw/zinc/10/76/49/135107649.db2.gz CGAOHWMIPMUKSF-QJPTWQEYSA-N 2 1 242.363 1.387 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252758097 135107650 /nfs/dbraw/zinc/10/76/50/135107650.db2.gz CGAOHWMIPMUKSF-QJPTWQEYSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000252765513 135108641 /nfs/dbraw/zinc/10/86/41/135108641.db2.gz PMZFIGPENONZJM-ZNIXKSQXSA-N 2 1 234.343 1.880 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000261642875 135110983 /nfs/dbraw/zinc/11/09/83/135110983.db2.gz GQCMVPRDSPCLGS-LBPRGKRZSA-N 2 1 219.332 1.440 20 0 BDADMP CCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252844501 135112989 /nfs/dbraw/zinc/11/29/89/135112989.db2.gz DPBFKFOMSOCFDY-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1C[NH3+] ZINC000253191991 135124089 /nfs/dbraw/zinc/12/40/89/135124089.db2.gz MQEDHQMIFYPCHP-RKDXNWHRSA-N 2 1 224.270 1.856 20 0 BDADMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000087472295 135143400 /nfs/dbraw/zinc/14/34/00/135143400.db2.gz HZDXKSXQHVFNMI-NSHDSACASA-N 2 1 222.332 1.995 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000087472295 135143402 /nfs/dbraw/zinc/14/34/02/135143402.db2.gz HZDXKSXQHVFNMI-NSHDSACASA-N 2 1 222.332 1.995 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261529844 135157032 /nfs/dbraw/zinc/15/70/32/135157032.db2.gz BNRHRYUUIPFQOH-IUCAKERBSA-N 2 1 222.254 1.480 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261529844 135157033 /nfs/dbraw/zinc/15/70/33/135157033.db2.gz BNRHRYUUIPFQOH-IUCAKERBSA-N 2 1 222.254 1.480 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261530136 135157178 /nfs/dbraw/zinc/15/71/78/135157178.db2.gz CBVLBBYWTZOBLK-QJPTWQEYSA-N 2 1 228.405 1.799 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000261530262 135157220 /nfs/dbraw/zinc/15/72/20/135157220.db2.gz CDCPFULDZKEZAO-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC[NH3+] ZINC000261531088 135158769 /nfs/dbraw/zinc/15/87/69/135158769.db2.gz FDNUJEZXVOEUGO-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC[NH3+] ZINC000261531088 135158771 /nfs/dbraw/zinc/15/87/71/135158771.db2.gz FDNUJEZXVOEUGO-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000261532739 135163005 /nfs/dbraw/zinc/16/30/05/135163005.db2.gz DMCQVHFLWACOOH-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC1CCOCC1 ZINC000261534838 135167624 /nfs/dbraw/zinc/16/76/24/135167624.db2.gz NDEVBCCIPFSBOK-LBPRGKRZSA-N 2 1 214.353 1.376 20 0 BDADMP c1csc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261535695 135170717 /nfs/dbraw/zinc/17/07/17/135170717.db2.gz PBIOFFALZDHCPV-GHMZBOCLSA-N 2 1 222.357 1.789 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000261536286 135171187 /nfs/dbraw/zinc/17/11/87/135171187.db2.gz RCANQEVLQJWZAY-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP C[C@H]1C[N@@H+](CCOCC2CC2)CC[C@H]1[NH3+] ZINC000261536474 135172238 /nfs/dbraw/zinc/17/22/38/135172238.db2.gz RWINLFFEMSWNCZ-CMPLNLGQSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]([NH3+])CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000261538214 135175896 /nfs/dbraw/zinc/17/58/96/135175896.db2.gz XMJICVSSEPZGPS-VXGBXAGGSA-N 2 1 213.369 1.140 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261542124 135182574 /nfs/dbraw/zinc/18/25/74/135182574.db2.gz BVIWQPVHFLACGH-CABNGKKXSA-N 2 1 231.343 1.812 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261542127 135182770 /nfs/dbraw/zinc/18/27/70/135182770.db2.gz BVIWQPVHFLACGH-YXCITZCRSA-N 2 1 231.343 1.812 20 0 BDADMP CCc1cc(N2CCC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000084082216 135182902 /nfs/dbraw/zinc/18/29/02/135182902.db2.gz CFKMZYVNIBOKFG-NSHDSACASA-N 2 1 220.320 1.275 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000261542677 135183411 /nfs/dbraw/zinc/18/34/11/135183411.db2.gz HDPYCFWMQMUFLH-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H](C3CC3)C2)CC[NH2+]C1 ZINC000261543683 135185024 /nfs/dbraw/zinc/18/50/24/135185024.db2.gz HXWMLVPRKRPQGX-OLZOCXBDSA-N 2 1 208.349 1.718 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000261544973 135186116 /nfs/dbraw/zinc/18/61/16/135186116.db2.gz FLEMVSCIIZWRAK-SOUVJXGZSA-N 2 1 230.355 1.898 20 0 BDADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261553878 135193710 /nfs/dbraw/zinc/19/37/10/135193710.db2.gz OJIYMEXOZSVMDN-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3cccnc3)C[C@H]12 ZINC000261553892 135193796 /nfs/dbraw/zinc/19/37/96/135193796.db2.gz OKVXLMATTDHKSP-HZSPNIEDSA-N 2 1 231.343 1.293 20 0 BDADMP C[C@@H]1OCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261555166 135195073 /nfs/dbraw/zinc/19/50/73/135195073.db2.gz UUNYVOUYWKTEFQ-QWRGUYRKSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000261556401 135195983 /nfs/dbraw/zinc/19/59/83/135195983.db2.gz QNZYYPSDVMVFGV-OLZOCXBDSA-N 2 1 236.363 1.108 20 0 BDADMP CCc1nc(N[C@@H]2CCC[NH2+][C@H]2C)cc(C)[nH+]1 ZINC000261560816 135201639 /nfs/dbraw/zinc/20/16/39/135201639.db2.gz UXKGLVLCXLOCLU-WDEREUQCSA-N 2 1 234.347 1.900 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]12 ZINC000261561491 135202959 /nfs/dbraw/zinc/20/29/59/135202959.db2.gz APOBXWBPDQGEBP-WCFLWFBJSA-N 2 1 217.316 1.251 20 0 BDADMP CCc1nc(N[C@H]2CCC[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000261562299 135203535 /nfs/dbraw/zinc/20/35/35/135203535.db2.gz WFCCRFIFAJLTCV-MNOVXSKESA-N 2 1 234.347 1.887 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261565629 135208014 /nfs/dbraw/zinc/20/80/14/135208014.db2.gz DBXHXLKFEAPBPD-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261565629 135208016 /nfs/dbraw/zinc/20/80/16/135208016.db2.gz DBXHXLKFEAPBPD-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1csc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261568699 135210038 /nfs/dbraw/zinc/21/00/38/135210038.db2.gz FTFAOTHYTGHCBL-HBNTYKKESA-N 2 1 237.372 1.621 20 0 BDADMP Cc1csc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261568699 135210040 /nfs/dbraw/zinc/21/00/40/135210040.db2.gz FTFAOTHYTGHCBL-HBNTYKKESA-N 2 1 237.372 1.621 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1 ZINC000261572050 135213808 /nfs/dbraw/zinc/21/38/08/135213808.db2.gz IAGHMSNTHYMRFZ-LBPRGKRZSA-N 2 1 219.332 1.559 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261571856 135214091 /nfs/dbraw/zinc/21/40/91/135214091.db2.gz LKCIXZJVVKQHBB-UKRRQHHQSA-N 2 1 246.354 1.879 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261571856 135214092 /nfs/dbraw/zinc/21/40/92/135214092.db2.gz LKCIXZJVVKQHBB-UKRRQHHQSA-N 2 1 246.354 1.879 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]12 ZINC000261572816 135215307 /nfs/dbraw/zinc/21/53/07/135215307.db2.gz IIMMPEVUXFGDGF-FRRDWIJNSA-N 2 1 217.316 1.251 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261573405 135215902 /nfs/dbraw/zinc/21/59/02/135215902.db2.gz IUFKMNGLDPXLOR-DGCLKSJQSA-N 2 1 219.332 1.813 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261575402 135216792 /nfs/dbraw/zinc/21/67/92/135216792.db2.gz JQUFUUMPEVVNJQ-QJPTWQEYSA-N 2 1 217.316 1.564 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000261576615 135217423 /nfs/dbraw/zinc/21/74/23/135217423.db2.gz KLCYIMPEJNDKFH-MFKMUULPSA-N 2 1 219.332 1.478 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000261576383 135217681 /nfs/dbraw/zinc/21/76/81/135217681.db2.gz KJUALABTFFRETA-AAEUAGOBSA-N 2 1 219.332 1.478 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261575987 135217878 /nfs/dbraw/zinc/21/78/78/135217878.db2.gz NMHLMKPMEAHNDD-QEJZJMRPSA-N 2 1 246.354 1.864 20 0 BDADMP Cc1cnn(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261578737 135219727 /nfs/dbraw/zinc/21/97/27/135219727.db2.gz PAHLNELNJYDJQR-MJBXVCDLSA-N 2 1 248.374 1.251 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261579699 135220411 /nfs/dbraw/zinc/22/04/11/135220411.db2.gz PQOGSUVXDXWWLJ-FPMFFAJLSA-N 2 1 248.374 1.206 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)nc1 ZINC000261579945 135220416 /nfs/dbraw/zinc/22/04/16/135220416.db2.gz MPWWPNUZYFBDQI-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)nc1 ZINC000261579945 135220418 /nfs/dbraw/zinc/22/04/18/135220418.db2.gz MPWWPNUZYFBDQI-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261584035 135225119 /nfs/dbraw/zinc/22/51/19/135225119.db2.gz SAOPIEFKHCQPEO-FPMFFAJLSA-N 2 1 246.354 1.864 20 0 BDADMP Cc1cccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)[nH+]1 ZINC000261587277 135228741 /nfs/dbraw/zinc/22/87/41/135228741.db2.gz RQFQDYVGXWAGFZ-SDDRHHMPSA-N 2 1 217.316 1.564 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]12 ZINC000261595254 135235230 /nfs/dbraw/zinc/23/52/30/135235230.db2.gz XZORXWRVIICXJB-RWMBFGLXSA-N 2 1 224.348 1.082 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261598476 135236466 /nfs/dbraw/zinc/23/64/66/135236466.db2.gz ZOKMKFOLEPWWHH-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261598476 135236468 /nfs/dbraw/zinc/23/64/68/135236468.db2.gz ZOKMKFOLEPWWHH-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP CCc1cc(N2CC[C@H]([NH3+])[C@@H]2C)nc(C)[nH+]1 ZINC000261599067 135237656 /nfs/dbraw/zinc/23/76/56/135237656.db2.gz ZTXHSROXFMYHDF-KWQFWETISA-N 2 1 220.320 1.273 20 0 BDADMP Fc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261545931 135237990 /nfs/dbraw/zinc/23/79/90/135237990.db2.gz GKBVEKFFQSZRHF-QWHCGFSZSA-N 2 1 234.318 1.867 20 0 BDADMP Fc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261545931 135237991 /nfs/dbraw/zinc/23/79/91/135237991.db2.gz GKBVEKFFQSZRHF-QWHCGFSZSA-N 2 1 234.318 1.867 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261546383 135238333 /nfs/dbraw/zinc/23/83/33/135238333.db2.gz KZVWCQQQRNJSFT-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261546384 135238655 /nfs/dbraw/zinc/23/86/55/135238655.db2.gz KZVWCQQQRNJSFT-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@]1(C[N@H+]2CCC3(C2)CCOCC3)CC[NH2+]C1 ZINC000261546801 135239489 /nfs/dbraw/zinc/23/94/89/135239489.db2.gz HJJRNNYIMYXVJG-ZDUSSCGKSA-N 2 1 238.375 1.489 20 0 BDADMP Fc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261546929 135239642 /nfs/dbraw/zinc/23/96/42/135239642.db2.gz HMFQJVDPCPMFNL-WCQYABFASA-N 2 1 234.318 1.867 20 0 BDADMP Fc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261546929 135239643 /nfs/dbraw/zinc/23/96/43/135239643.db2.gz HMFQJVDPCPMFNL-WCQYABFASA-N 2 1 234.318 1.867 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261660003 135243332 /nfs/dbraw/zinc/24/33/32/135243332.db2.gz IVPVCLTXSARVJE-CYBMUJFWSA-N 2 1 233.359 1.700 20 0 BDADMP C[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000261670595 135245052 /nfs/dbraw/zinc/24/50/52/135245052.db2.gz AMVYSXYHCHOBOO-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261684115 135246014 /nfs/dbraw/zinc/24/60/14/135246014.db2.gz AFCQOLYDOUUFKG-UONOGXRCSA-N 2 1 240.391 1.471 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]12 ZINC000261751485 135250067 /nfs/dbraw/zinc/25/00/67/135250067.db2.gz CFEMUPDTNBXWJN-UMSGYPCISA-N 2 1 224.348 1.082 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261759398 135250734 /nfs/dbraw/zinc/25/07/34/135250734.db2.gz QZTZGVZXSDETHP-ZDUSSCGKSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@]1(CN)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261759398 135250736 /nfs/dbraw/zinc/25/07/36/135250736.db2.gz QZTZGVZXSDETHP-ZDUSSCGKSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@@]1(CN)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261759398 135250738 /nfs/dbraw/zinc/25/07/38/135250738.db2.gz QZTZGVZXSDETHP-ZDUSSCGKSA-N 2 1 225.380 1.047 20 0 BDADMP CC[N@@H+](CC[C@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000261782117 135252710 /nfs/dbraw/zinc/25/27/10/135252710.db2.gz FLQVKWLWDABNJI-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)[C@@H](C)O1 ZINC000261823099 135255196 /nfs/dbraw/zinc/25/51/96/135255196.db2.gz INHXESLTEFFMLL-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)[C@@H](C)O1 ZINC000261823099 135255197 /nfs/dbraw/zinc/25/51/97/135255197.db2.gz INHXESLTEFFMLL-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)[C@H](C)O1 ZINC000261823104 135255266 /nfs/dbraw/zinc/25/52/66/135255266.db2.gz INHXESLTEFFMLL-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C)[C@H](C)O1 ZINC000261823104 135255267 /nfs/dbraw/zinc/25/52/67/135255267.db2.gz INHXESLTEFFMLL-MROQNXINSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261831543 135255776 /nfs/dbraw/zinc/25/57/76/135255776.db2.gz JCDBMTOAFZEQDD-XJFOESAGSA-N 2 1 240.391 1.467 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261825211 135256139 /nfs/dbraw/zinc/25/61/39/135256139.db2.gz IPVDXDZERZZACS-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261879622 135258908 /nfs/dbraw/zinc/25/89/08/135258908.db2.gz QREZMKGUZROSEW-WCQYABFASA-N 2 1 240.347 1.014 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261948455 135265295 /nfs/dbraw/zinc/26/52/95/135265295.db2.gz FQPVHTSTAKKGPG-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262035123 135274488 /nfs/dbraw/zinc/27/44/88/135274488.db2.gz XXTIZIBXUBKOJV-YAWVXEGQSA-N 2 1 238.375 1.532 20 0 BDADMP CC1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262035120 135274831 /nfs/dbraw/zinc/27/48/31/135274831.db2.gz XXTIZIBXUBKOJV-LFGDDXOXSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CC[NH2+]C1 ZINC000262042152 135275715 /nfs/dbraw/zinc/27/57/15/135275715.db2.gz PGVZXRZRNBGXBL-GXTWGEPZSA-N 2 1 248.374 1.589 20 0 BDADMP C[C@@]1(C[N@@H+]2CCc3ccc(O)cc3C2)CC[NH2+]C1 ZINC000262078215 135277587 /nfs/dbraw/zinc/27/75/87/135277587.db2.gz STSREFALOULFMR-OAHLLOKOSA-N 2 1 246.354 1.750 20 0 BDADMP C[C@@]1(C[N@H+]2CCc3ccc(O)cc3C2)CC[NH2+]C1 ZINC000262078215 135277588 /nfs/dbraw/zinc/27/75/88/135277588.db2.gz STSREFALOULFMR-OAHLLOKOSA-N 2 1 246.354 1.750 20 0 BDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC000262191658 135284831 /nfs/dbraw/zinc/28/48/31/135284831.db2.gz YRNRDMVSOLSFLD-WCQYABFASA-N 2 1 246.310 1.103 20 0 BDADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC2(C)C)CCOCC1 ZINC000342695358 135306366 /nfs/dbraw/zinc/30/63/66/135306366.db2.gz GTVNVHMWRHXOAW-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCCC[NH+](C)C(C)C)C1 ZINC000343153628 135366360 /nfs/dbraw/zinc/36/63/60/135366360.db2.gz DOGZDUYSWFMMMR-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@@H](NCCC[N@H+](C)C(C)C)C1 ZINC000343153628 135366361 /nfs/dbraw/zinc/36/63/61/135366361.db2.gz DOGZDUYSWFMMMR-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@@H](NCCC[N@@H+](C)C(C)C)C1 ZINC000343153628 135366362 /nfs/dbraw/zinc/36/63/62/135366362.db2.gz DOGZDUYSWFMMMR-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP C[N@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000334364479 135372751 /nfs/dbraw/zinc/37/27/51/135372751.db2.gz NEAYTXAVZBBJAJ-UHFFFAOYSA-N 2 1 225.380 1.110 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000090725154 135553546 /nfs/dbraw/zinc/55/35/46/135553546.db2.gz QIACHTAZQDGYER-MXWKQRLJSA-N 2 1 216.394 1.668 20 0 BDADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000097928132 135632023 /nfs/dbraw/zinc/63/20/23/135632023.db2.gz VHLZMXIQTSRCKU-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCOC2)C1)[C@H]1CCC[NH2+]C1 ZINC000334785344 135812087 /nfs/dbraw/zinc/81/20/87/135812087.db2.gz OMDSCAFZWAFUIS-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1CCOCC1 ZINC000347952796 136020031 /nfs/dbraw/zinc/02/00/31/136020031.db2.gz DTBVIBPBAMEUMT-UHFFFAOYSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC1CCOCC1 ZINC000347952796 136020032 /nfs/dbraw/zinc/02/00/32/136020032.db2.gz DTBVIBPBAMEUMT-UHFFFAOYSA-N 2 1 237.347 1.550 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@]12CCOC2 ZINC000367456693 136043469 /nfs/dbraw/zinc/04/34/69/136043469.db2.gz CMXBSBHPOZUYTF-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP c1nc2c([nH]1)CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000335326093 136051842 /nfs/dbraw/zinc/05/18/42/136051842.db2.gz WOSOVTNYEAYPPO-NSHDSACASA-N 2 1 228.299 1.452 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C(C)C)[C@@H](C)C1 ZINC000348270737 136058871 /nfs/dbraw/zinc/05/88/71/136058871.db2.gz HTOZOMDPEONFDZ-IHRRRGAJSA-N 2 1 242.407 1.571 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCc2occc21)C1C[NH2+]C1 ZINC000335559281 136100507 /nfs/dbraw/zinc/10/05/07/136100507.db2.gz AWXYTVTZFDGVMZ-SKDRFNHKSA-N 2 1 220.316 1.855 20 0 BDADMP CO[C@@]1(C)CCC[N@H+](CC[NH2+]C(C)C)CC1 ZINC000373590315 397777210 /nfs/dbraw/zinc/77/72/10/397777210.db2.gz APCHKUMETDBOHD-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP CO[C@@]1(C)CCC[N@@H+](CC[NH2+]C(C)C)CC1 ZINC000373590315 397777212 /nfs/dbraw/zinc/77/72/12/397777212.db2.gz APCHKUMETDBOHD-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000309188847 397852205 /nfs/dbraw/zinc/85/22/05/397852205.db2.gz BWKURIZWCQXTPH-CHWSQXEVSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000309188847 397852208 /nfs/dbraw/zinc/85/22/08/397852208.db2.gz BWKURIZWCQXTPH-CHWSQXEVSA-N 2 1 228.380 1.874 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336743832 397867693 /nfs/dbraw/zinc/86/76/93/397867693.db2.gz YNLOJEBZVCKMAO-WISYIIOYSA-N 2 1 228.405 1.953 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336743832 397867696 /nfs/dbraw/zinc/86/76/96/397867696.db2.gz YNLOJEBZVCKMAO-WISYIIOYSA-N 2 1 228.405 1.953 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)C[C@@H]1CCC[NH+](C)C1 ZINC000649539490 397932785 /nfs/dbraw/zinc/93/27/85/397932785.db2.gz XDJDHCACNSTFRO-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)C[C@@H]1CCC[N@H+](C)C1 ZINC000649539490 397932788 /nfs/dbraw/zinc/93/27/88/397932788.db2.gz XDJDHCACNSTFRO-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000649539490 397932792 /nfs/dbraw/zinc/93/27/92/397932792.db2.gz XDJDHCACNSTFRO-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CCC1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCCC1 ZINC000382608472 397965292 /nfs/dbraw/zinc/96/52/92/397965292.db2.gz WORBABPFJWFGTC-ZDUSSCGKSA-N 2 1 242.407 2.000 20 0 BDADMP CCc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000382415202 397948224 /nfs/dbraw/zinc/94/82/24/397948224.db2.gz GXCOMBSUBOSBKG-MNOVXSKESA-N 2 1 234.347 1.451 20 0 BDADMP C(C1CC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916577 397967708 /nfs/dbraw/zinc/96/77/08/397967708.db2.gz UEOSLVOQZQCYDK-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cocn1 ZINC000192323851 397893488 /nfs/dbraw/zinc/89/34/88/397893488.db2.gz ARQUPGVKNZVLFU-GFCCVEGCSA-N 2 1 241.335 1.121 20 0 BDADMP CC[N@@H+](CCCn1ccnc1C)CC(C)(C)O ZINC000120517830 397996852 /nfs/dbraw/zinc/99/68/52/397996852.db2.gz XDURISQWSSABKA-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)CC(C)(C)O ZINC000120517830 397996853 /nfs/dbraw/zinc/99/68/53/397996853.db2.gz XDURISQWSSABKA-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)CC(C)(C)O ZINC000120517830 397996856 /nfs/dbraw/zinc/99/68/56/397996856.db2.gz XDURISQWSSABKA-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414824288 398045676 /nfs/dbraw/zinc/04/56/76/398045676.db2.gz QPMOQCDKLPMOLG-RFGFWPKPSA-N 3 1 239.407 1.495 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000645944874 398005459 /nfs/dbraw/zinc/00/54/59/398005459.db2.gz SEMUQZMPVZWNTN-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)O[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000645944874 398005466 /nfs/dbraw/zinc/00/54/66/398005466.db2.gz SEMUQZMPVZWNTN-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)O[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000645944874 398005468 /nfs/dbraw/zinc/00/54/68/398005468.db2.gz SEMUQZMPVZWNTN-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@H]1CCCOC1 ZINC000389124859 398029258 /nfs/dbraw/zinc/02/92/58/398029258.db2.gz VTJGTMNIZPWISV-RWMBFGLXSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414853935 398060928 /nfs/dbraw/zinc/06/09/28/398060928.db2.gz LNCOVSVLUGYGAB-FRRDWIJNSA-N 3 1 225.380 1.106 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414860255 398067141 /nfs/dbraw/zinc/06/71/41/398067141.db2.gz CFXRFLQTAJEATB-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)OC1CC([NH2+]C2CC[NH+](C)CC2)C1 ZINC000186552014 398068560 /nfs/dbraw/zinc/06/85/60/398068560.db2.gz OMXWUOIENIVPIP-UHFFFAOYSA-N 2 1 226.364 1.626 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C1CC(C(C)C)C1 ZINC000488420583 398069840 /nfs/dbraw/zinc/06/98/40/398069840.db2.gz WSPHOOQBIVMSEQ-UHFFFAOYSA-N 2 1 242.407 1.979 20 0 BDADMP CC[C@H]1C[N@@H+](CCn2ccnc2)[C@@H](C)CO1 ZINC000649735843 398076716 /nfs/dbraw/zinc/07/67/16/398076716.db2.gz RLTSWWFPTYYGHD-RYUDHWBXSA-N 2 1 223.320 1.382 20 0 BDADMP CC[C@H]1CN(CCn2ccnc2)[C@@H](C)CO1 ZINC000649735843 398076720 /nfs/dbraw/zinc/07/67/20/398076720.db2.gz RLTSWWFPTYYGHD-RYUDHWBXSA-N 2 1 223.320 1.382 20 0 BDADMP CC[N@@H+](CCc1cncn1C)[C@H]1CCCOC1 ZINC000649755062 398085394 /nfs/dbraw/zinc/08/53/94/398085394.db2.gz DEPSRRWYCIXXLU-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000384396823 398085589 /nfs/dbraw/zinc/08/55/89/398085589.db2.gz OMFBCNYQMIVTFS-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1noc(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345174747 398086938 /nfs/dbraw/zinc/08/69/38/398086938.db2.gz NOJOVYGBXNTTAE-UHFFFAOYSA-N 2 1 235.331 1.643 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449089511 398057125 /nfs/dbraw/zinc/05/71/25/398057125.db2.gz KVCYZQHBYJIFBM-GMXVVIOVSA-N 2 1 237.347 1.737 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)COC ZINC000390775308 398098877 /nfs/dbraw/zinc/09/88/77/398098877.db2.gz DZDDEFDLESZWHO-CHWSQXEVSA-N 2 1 230.396 1.979 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)COC ZINC000390775308 398098880 /nfs/dbraw/zinc/09/88/80/398098880.db2.gz DZDDEFDLESZWHO-CHWSQXEVSA-N 2 1 230.396 1.979 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000308843248 398096954 /nfs/dbraw/zinc/09/69/54/398096954.db2.gz ZAPSECZZVHJTKM-ONGXEEELSA-N 2 1 225.361 1.675 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000397318429 398120021 /nfs/dbraw/zinc/12/00/21/398120021.db2.gz ADHFCUDVSYANCL-NQBHXWOUSA-N 2 1 236.363 1.225 20 0 BDADMP C1CC1[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000061982831 398109978 /nfs/dbraw/zinc/10/99/78/398109978.db2.gz RVLGLGGEIQGMTE-ZDUSSCGKSA-N 2 1 249.402 1.440 20 0 BDADMP C([NH2+][C@@H]1CCCOCC1)[C@H]1CCCC[NH2+]1 ZINC000308866156 487570798 /nfs/dbraw/zinc/57/07/98/487570798.db2.gz XARUIWNZJSZGMK-VXGBXAGGSA-N 2 1 212.337 1.287 20 0 BDADMP Cn1ncc(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000334848218 487573597 /nfs/dbraw/zinc/57/35/97/487573597.db2.gz PDRAXNSHIYATOO-IUCAKERBSA-N 2 1 242.754 1.433 20 0 BDADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000334848333 487573894 /nfs/dbraw/zinc/57/38/94/487573894.db2.gz RIAGGFFGXOCCOP-VHSXEESVSA-N 2 1 208.309 1.078 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000334848333 487573898 /nfs/dbraw/zinc/57/38/98/487573898.db2.gz RIAGGFFGXOCCOP-VHSXEESVSA-N 2 1 208.309 1.078 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000336755196 167215993 /nfs/dbraw/zinc/21/59/93/167215993.db2.gz XOEAUCIAGXASMI-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000383102671 487587061 /nfs/dbraw/zinc/58/70/61/487587061.db2.gz CEVMCRSKTOBQQH-QWRGUYRKSA-N 2 1 237.347 1.905 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CS1 ZINC000086935236 487591845 /nfs/dbraw/zinc/59/18/45/487591845.db2.gz RNEPDSPDROAUAZ-WOPDTQHZSA-N 2 1 240.416 1.954 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[NH2+]CC1)C1CCCC1 ZINC000662241923 409528348 /nfs/dbraw/zinc/52/83/48/409528348.db2.gz YRQRQGIDPSIURE-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[NH2+]CC1)C1CCCC1 ZINC000662241923 409528354 /nfs/dbraw/zinc/52/83/54/409528354.db2.gz YRQRQGIDPSIURE-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP C1=CCC(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662267421 409569507 /nfs/dbraw/zinc/56/95/07/409569507.db2.gz VFGLXLDOITXOPN-CYBMUJFWSA-N 2 1 206.333 1.638 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249660 409548956 /nfs/dbraw/zinc/54/89/56/409548956.db2.gz RQUZQZVPCSJBKC-QWHCGFSZSA-N 2 1 238.375 1.772 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CNC(C)(C)C[NH+]1CCCC1 ZINC000308634980 409895706 /nfs/dbraw/zinc/89/57/06/409895706.db2.gz MUPORORSVAOVHH-CYBMUJFWSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@@H]1CNC(C)(C)C[NH+]1CCCC1 ZINC000308634980 409895707 /nfs/dbraw/zinc/89/57/07/409895707.db2.gz MUPORORSVAOVHH-CYBMUJFWSA-N 2 1 239.407 1.545 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650702737 410332754 /nfs/dbraw/zinc/33/27/54/410332754.db2.gz RUJPWXDCTJKOAE-LBPRGKRZSA-N 2 1 230.355 1.956 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650712180 410341597 /nfs/dbraw/zinc/34/15/97/410341597.db2.gz UXDCQYXTYVBLDC-MFKMUULPSA-N 2 1 236.363 1.667 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650712180 410341602 /nfs/dbraw/zinc/34/16/02/410341602.db2.gz UXDCQYXTYVBLDC-MFKMUULPSA-N 2 1 236.363 1.667 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650712180 410341609 /nfs/dbraw/zinc/34/16/09/410341609.db2.gz UXDCQYXTYVBLDC-MFKMUULPSA-N 2 1 236.363 1.667 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650712180 410341613 /nfs/dbraw/zinc/34/16/13/410341613.db2.gz UXDCQYXTYVBLDC-MFKMUULPSA-N 2 1 236.363 1.667 20 0 BDADMP CC(C)N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713431 410345071 /nfs/dbraw/zinc/34/50/71/410345071.db2.gz SIYBROCBNDBFFO-UHFFFAOYSA-N 2 1 239.407 1.578 20 0 BDADMP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000650719918 410358087 /nfs/dbraw/zinc/35/80/87/410358087.db2.gz AHRAFUURBGNPFA-OAHLLOKOSA-N 2 1 247.386 1.638 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC2CC2)C1 ZINC000650723189 410359484 /nfs/dbraw/zinc/35/94/84/410359484.db2.gz IQYNYWOSIZAZIM-RDBSUJKOSA-N 2 1 238.375 1.757 20 0 BDADMP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1CC[NH2+]C1)N2 ZINC000650720822 410361462 /nfs/dbraw/zinc/36/14/62/410361462.db2.gz BZESCPSUOVUUAJ-ZIAGYGMSSA-N 2 1 245.370 1.755 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000650740773 410374535 /nfs/dbraw/zinc/37/45/35/410374535.db2.gz QRJQBXMFJHUZMY-OLZOCXBDSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@H+]1C ZINC000650744591 410380351 /nfs/dbraw/zinc/38/03/51/410380351.db2.gz RILJYGNFQLWRGG-VXGBXAGGSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CCN1C ZINC000650744591 410380356 /nfs/dbraw/zinc/38/03/56/410380356.db2.gz RILJYGNFQLWRGG-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745819 410382822 /nfs/dbraw/zinc/38/28/22/410382822.db2.gz OJLWMSOBYSZNJD-VIFPVBQESA-N 2 1 222.336 1.498 20 0 BDADMP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000650762013 410409776 /nfs/dbraw/zinc/40/97/76/410409776.db2.gz QBHNGWLGQXIFGS-TZMCWYRMSA-N 2 1 239.407 1.496 20 0 BDADMP CCN1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650763989 410414120 /nfs/dbraw/zinc/41/41/20/410414120.db2.gz NQSBRUHEWQLPHL-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H](CCNc1[nH+]cnc2[nH]ccc21)[NH+](C)C ZINC000664242991 410525893 /nfs/dbraw/zinc/52/58/93/410525893.db2.gz GPYUSZTUUUSTMQ-SECBINFHSA-N 2 1 233.319 1.662 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000309238500 410538574 /nfs/dbraw/zinc/53/85/74/410538574.db2.gz KCKDXCXPEGOUFB-AVGNSLFASA-N 2 1 230.396 1.712 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC000653279855 410631429 /nfs/dbraw/zinc/63/14/29/410631429.db2.gz BQQMLXJAAUAUGX-FDYHWXHSSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)C[N@H+]1C1CC1 ZINC000665249411 410731410 /nfs/dbraw/zinc/73/14/10/410731410.db2.gz PUCQQAYLHZREKF-VXGBXAGGSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)CN1C1CC1 ZINC000665249411 410731415 /nfs/dbraw/zinc/73/14/15/410731415.db2.gz PUCQQAYLHZREKF-VXGBXAGGSA-N 2 1 237.391 1.473 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000393760412 410761421 /nfs/dbraw/zinc/76/14/21/410761421.db2.gz KVXFDTACKKDBGB-RYUDHWBXSA-N 2 1 222.336 1.011 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nccn1C ZINC000665283013 410762355 /nfs/dbraw/zinc/76/23/55/410762355.db2.gz GCNPMAFEOCQHBV-HBNTYKKESA-N 2 1 222.336 1.341 20 0 BDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[NH2+]C1 ZINC000394323851 410789198 /nfs/dbraw/zinc/78/91/98/410789198.db2.gz KBMZNHALWXVZGF-MCIONIFRSA-N 2 1 237.391 1.155 20 0 BDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000394323851 410789202 /nfs/dbraw/zinc/78/92/02/410789202.db2.gz KBMZNHALWXVZGF-MCIONIFRSA-N 2 1 237.391 1.155 20 0 BDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000394323851 410789208 /nfs/dbraw/zinc/78/92/08/410789208.db2.gz KBMZNHALWXVZGF-MCIONIFRSA-N 2 1 237.391 1.155 20 0 BDADMP COCc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000394595501 410808322 /nfs/dbraw/zinc/80/83/22/410808322.db2.gz KAERYZPNPNOXTB-WDEREUQCSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000394595501 410808328 /nfs/dbraw/zinc/80/83/28/410808328.db2.gz KAERYZPNPNOXTB-WDEREUQCSA-N 2 1 238.331 1.595 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(COC)CC1 ZINC000665298633 410828107 /nfs/dbraw/zinc/82/81/07/410828107.db2.gz ZFXKHVIIZNYZDA-UNXYVOJBSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(C)C[C@@H]1CN ZINC000394865974 410828777 /nfs/dbraw/zinc/82/87/77/410828777.db2.gz UGSVVBXYDHBKHT-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(C)C[C@@H]1CN ZINC000394865974 410828783 /nfs/dbraw/zinc/82/87/83/410828783.db2.gz UGSVVBXYDHBKHT-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396470022 410885033 /nfs/dbraw/zinc/88/50/33/410885033.db2.gz WPGDDYQJBCCBNW-YPMHNXCESA-N 3 1 225.380 1.058 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000011891425 167215795 /nfs/dbraw/zinc/21/57/95/167215795.db2.gz QXXFQZKFHFWZJP-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1(C)CC1 ZINC000309282702 410916800 /nfs/dbraw/zinc/91/68/00/410916800.db2.gz UEUZFLJYBRSRHB-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1(C)CC1 ZINC000309282702 410916806 /nfs/dbraw/zinc/91/68/06/410916806.db2.gz UEUZFLJYBRSRHB-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000309282702 410916811 /nfs/dbraw/zinc/91/68/11/410916811.db2.gz UEUZFLJYBRSRHB-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000309282702 410916815 /nfs/dbraw/zinc/91/68/15/410916815.db2.gz UEUZFLJYBRSRHB-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000300046062 411078087 /nfs/dbraw/zinc/07/80/87/411078087.db2.gz QWJFMBDKMPTJQX-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000300949723 411128413 /nfs/dbraw/zinc/12/84/13/411128413.db2.gz HAFPOXRONASUNT-NWDGAFQWSA-N 2 1 228.380 1.731 20 0 BDADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000107786894 411139169 /nfs/dbraw/zinc/13/91/69/411139169.db2.gz ZEELXLCTAUWKDY-NXEZZACHSA-N 2 1 208.305 1.693 20 0 BDADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000107786889 411139233 /nfs/dbraw/zinc/13/92/33/411139233.db2.gz ZEELXLCTAUWKDY-ZJUUUORDSA-N 2 1 208.305 1.693 20 0 BDADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000651762604 411142166 /nfs/dbraw/zinc/14/21/66/411142166.db2.gz DTNSQBGCJFZYCI-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000651762604 411142167 /nfs/dbraw/zinc/14/21/67/411142167.db2.gz DTNSQBGCJFZYCI-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000651762602 411142256 /nfs/dbraw/zinc/14/22/56/411142256.db2.gz DTNSQBGCJFZYCI-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000651762602 411142257 /nfs/dbraw/zinc/14/22/57/411142257.db2.gz DTNSQBGCJFZYCI-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP COC[C@H](C)C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865702 411147615 /nfs/dbraw/zinc/14/76/15/411147615.db2.gz FGFUIEYPEIOKQZ-CYBMUJFWSA-N 2 1 230.396 1.836 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000651865146 411148099 /nfs/dbraw/zinc/14/80/99/411148099.db2.gz OVHNRCVCWAGKTI-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCC(C)(C)C)CCO1 ZINC000300841689 411126960 /nfs/dbraw/zinc/12/69/60/411126960.db2.gz JVYXMGNEDKXAGZ-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCC(C)(C)C)CCO1 ZINC000300841689 411126961 /nfs/dbraw/zinc/12/69/61/411126961.db2.gz JVYXMGNEDKXAGZ-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401005396 411169319 /nfs/dbraw/zinc/16/93/19/411169319.db2.gz BMNFXPDMDCKPOW-SOUVJXGZSA-N 3 1 249.402 1.226 20 0 BDADMP Cc1[nH]ncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401115932 411176919 /nfs/dbraw/zinc/17/69/19/411176919.db2.gz IJGFHZPTHQASHW-GMXVVIOVSA-N 2 1 234.347 1.196 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCF)[C@@H]1CC[NH3+] ZINC000404305399 411183073 /nfs/dbraw/zinc/18/30/73/411183073.db2.gz RUMMUZWIUMSQLP-GHMZBOCLSA-N 2 1 202.317 1.795 20 0 BDADMP CCC(CC)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070800409 411183557 /nfs/dbraw/zinc/18/35/57/411183557.db2.gz UTXUSRQCMQOQKK-UHFFFAOYSA-N 2 1 227.396 1.260 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000655754901 411184195 /nfs/dbraw/zinc/18/41/95/411184195.db2.gz XMOPJAOBRMRNOD-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP CCC1(C[NH2+]CCC[NH+]2CCC2)CCOCC1 ZINC000655754492 411184243 /nfs/dbraw/zinc/18/42/43/411184243.db2.gz XQLIHRTXCNKCQK-UHFFFAOYSA-N 2 1 240.391 1.879 20 0 BDADMP Cc1nccn1CC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700458 411191414 /nfs/dbraw/zinc/19/14/14/411191414.db2.gz MKOPOMWKQLGZAB-OLZOCXBDSA-N 2 1 235.331 1.160 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656193171 411199824 /nfs/dbraw/zinc/19/98/24/411199824.db2.gz WMLWPNDCSVZRLX-USZNOCQGSA-N 3 1 211.353 1.116 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701984 411201286 /nfs/dbraw/zinc/20/12/86/411201286.db2.gz UFLMNFJFECZFSC-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701984 411201288 /nfs/dbraw/zinc/20/12/88/411201288.db2.gz UFLMNFJFECZFSC-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701984 411201289 /nfs/dbraw/zinc/20/12/89/411201289.db2.gz UFLMNFJFECZFSC-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199989 411204287 /nfs/dbraw/zinc/20/42/87/411204287.db2.gz DGXQJFGLJWBXIW-UONOGXRCSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199989 411204290 /nfs/dbraw/zinc/20/42/90/411204290.db2.gz DGXQJFGLJWBXIW-UONOGXRCSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199989 411204293 /nfs/dbraw/zinc/20/42/93/411204293.db2.gz DGXQJFGLJWBXIW-UONOGXRCSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000656201460 411206130 /nfs/dbraw/zinc/20/61/30/411206130.db2.gz PKYZAKGYGITKMX-IACUBPJLSA-N 2 1 237.391 1.201 20 0 BDADMP COc1c(C)cccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000656201783 411207535 /nfs/dbraw/zinc/20/75/35/411207535.db2.gz YYPUCKNINRQRCF-NSHDSACASA-N 2 1 234.343 1.701 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345920 411208917 /nfs/dbraw/zinc/20/89/17/411208917.db2.gz PAWPMZGNWWPIAA-AVGNSLFASA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652353519 411212178 /nfs/dbraw/zinc/21/21/78/411212178.db2.gz NXLKAHGPSGFVNO-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652353519 411212181 /nfs/dbraw/zinc/21/21/81/411212181.db2.gz NXLKAHGPSGFVNO-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1C[NH3+] ZINC000652356870 411215501 /nfs/dbraw/zinc/21/55/01/411215501.db2.gz MJSHCOLYNZHRMV-CHWSQXEVSA-N 2 1 244.379 1.097 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@H](C)C[NH+](C)C)CC1 ZINC000310258187 411230818 /nfs/dbraw/zinc/23/08/18/411230818.db2.gz PURRKEUXVNNMEH-ZDUSSCGKSA-N 3 1 241.423 1.648 20 0 BDADMP COc1c(C)c[nH+]c(Cn2ccnc2C[NH3+])c1C ZINC000051004068 411268952 /nfs/dbraw/zinc/26/89/52/411268952.db2.gz BICJBSXJWREDBJ-UHFFFAOYSA-N 2 1 246.314 1.411 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402608129 411273492 /nfs/dbraw/zinc/27/34/92/411273492.db2.gz VMLDCHLZLYVEEO-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000658161068 411274009 /nfs/dbraw/zinc/27/40/09/411274009.db2.gz IZVDAFGDQHNSTL-CYDGBPFRSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000658161068 411274011 /nfs/dbraw/zinc/27/40/11/411274011.db2.gz IZVDAFGDQHNSTL-CYDGBPFRSA-N 2 1 226.364 1.626 20 0 BDADMP COc1ccccc1CC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401659334 411274328 /nfs/dbraw/zinc/27/43/28/411274328.db2.gz WTWJKSBQFZDDGR-GXTWGEPZSA-N 2 1 248.370 1.825 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2CCOCC2)C1 ZINC000401710285 411299052 /nfs/dbraw/zinc/29/90/52/411299052.db2.gz DHYQHBQXHPGFOZ-ZYHUDNBSSA-N 2 1 212.337 1.001 20 0 BDADMP CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H]1CCCOC1 ZINC000402727412 411309997 /nfs/dbraw/zinc/30/99/97/411309997.db2.gz ZTBTWJHDXFSOGJ-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H]1CCCOC1 ZINC000402727412 411310001 /nfs/dbraw/zinc/31/00/01/411310001.db2.gz ZTBTWJHDXFSOGJ-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C23CCC3)CC[N@@H+]1C ZINC000658256205 411317149 /nfs/dbraw/zinc/31/71/49/411317149.db2.gz UOFATVGQLYWFFZ-FVCCEPFGSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C23CCC3)CC[N@H+]1C ZINC000658256205 411317150 /nfs/dbraw/zinc/31/71/50/411317150.db2.gz UOFATVGQLYWFFZ-FVCCEPFGSA-N 2 1 238.375 1.362 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401751023 411318255 /nfs/dbraw/zinc/31/82/55/411318255.db2.gz NTHQQEKTHWJUIA-KGYLQXTDSA-N 2 1 228.380 1.371 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH3+])[C@@H](CC)CO1 ZINC000403734701 411357318 /nfs/dbraw/zinc/35/73/18/411357318.db2.gz IIKMAPYMEVWNMT-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP CC[C@@H]1C[N@H+](CCC[NH2+]C)[C@@H](CC)CO1 ZINC000403869446 411363009 /nfs/dbraw/zinc/36/30/09/411363009.db2.gz YGZWWMVVMFAGSJ-NWDGAFQWSA-N 2 1 214.353 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH2+]C)[C@@H](CC)CO1 ZINC000403869446 411363012 /nfs/dbraw/zinc/36/30/12/411363012.db2.gz YGZWWMVVMFAGSJ-NWDGAFQWSA-N 2 1 214.353 1.485 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc(O)c2)CCCC1 ZINC000656788430 411367159 /nfs/dbraw/zinc/36/71/59/411367159.db2.gz OZXLAEXAJLEBGG-UHFFFAOYSA-N 2 1 220.316 1.753 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@]1(C)CO ZINC000662146604 411367584 /nfs/dbraw/zinc/36/75/84/411367584.db2.gz SFGUXDYHAXFLHU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@]1(C)CO ZINC000662146604 411367587 /nfs/dbraw/zinc/36/75/87/411367587.db2.gz SFGUXDYHAXFLHU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@]1(C)CO ZINC000662146604 411367590 /nfs/dbraw/zinc/36/75/90/411367590.db2.gz SFGUXDYHAXFLHU-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP NC1(C[NH2+]C2CCC([NH3+])CC2)CCCC1 ZINC000656789825 411370389 /nfs/dbraw/zinc/37/03/89/411370389.db2.gz ZYJLZPDARVELSS-UHFFFAOYSA-N 2 1 211.353 1.117 20 0 BDADMP c1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)CCO2 ZINC000063012739 411333509 /nfs/dbraw/zinc/33/35/09/411333509.db2.gz KWHCURYLKAYCFP-LBPRGKRZSA-N 2 1 232.327 1.491 20 0 BDADMP c1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)CCO2 ZINC000063012739 411333512 /nfs/dbraw/zinc/33/35/12/411333512.db2.gz KWHCURYLKAYCFP-LBPRGKRZSA-N 2 1 232.327 1.491 20 0 BDADMP CC[C@H](C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000656706070 411334721 /nfs/dbraw/zinc/33/47/21/411334721.db2.gz XYSMNSAOMOMPLE-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H](C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000656706070 411334725 /nfs/dbraw/zinc/33/47/25/411334725.db2.gz XYSMNSAOMOMPLE-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP CC1=CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336662564 168113875 /nfs/dbraw/zinc/11/38/75/168113875.db2.gz OPCPLKGQJOSZOQ-CYBMUJFWSA-N 2 1 224.348 1.094 20 0 BDADMP CC1=CC[N@H+](C[C@H](O)CN(C)C2CC2)CC1 ZINC000336662564 168113877 /nfs/dbraw/zinc/11/38/77/168113877.db2.gz OPCPLKGQJOSZOQ-CYBMUJFWSA-N 2 1 224.348 1.094 20 0 BDADMP CC1=CC[N@@H+](C[C@H](O)CN(C)C2CC2)CC1 ZINC000336662564 168113878 /nfs/dbraw/zinc/11/38/78/168113878.db2.gz OPCPLKGQJOSZOQ-CYBMUJFWSA-N 2 1 224.348 1.094 20 0 BDADMP CC1CCN(CC[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000129177812 168181841 /nfs/dbraw/zinc/18/18/41/168181841.db2.gz BZQDHNYLKQYHBU-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404360397 411391471 /nfs/dbraw/zinc/39/14/71/411391471.db2.gz DYDWUVATLQFHTA-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])on1 ZINC000404376652 411392174 /nfs/dbraw/zinc/39/21/74/411392174.db2.gz KYNONUQTLKMFSZ-ZWNOBZJWSA-N 2 1 237.347 1.932 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cncn2C)[C@@H]1CC[NH3+] ZINC000404374587 411392614 /nfs/dbraw/zinc/39/26/14/411392614.db2.gz KGNJQJPGCHRSSP-DGCLKSJQSA-N 2 1 236.363 1.369 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cncn2C)[C@H]1CC[NH3+] ZINC000404374586 411392841 /nfs/dbraw/zinc/39/28/41/411392841.db2.gz KGNJQJPGCHRSSP-AAEUAGOBSA-N 2 1 236.363 1.369 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000404409883 411394185 /nfs/dbraw/zinc/39/41/85/411394185.db2.gz BYPHBYIXBKEEHY-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2ccno2)[C@@H]1CC[NH3+] ZINC000404443683 411397134 /nfs/dbraw/zinc/39/71/34/411397134.db2.gz WDLJAINFVJLTLQ-ZYHUDNBSSA-N 2 1 223.320 1.624 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccno2)[C@@H]1CC[NH3+] ZINC000404443683 411397135 /nfs/dbraw/zinc/39/71/35/411397135.db2.gz WDLJAINFVJLTLQ-ZYHUDNBSSA-N 2 1 223.320 1.624 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000404507353 411399004 /nfs/dbraw/zinc/39/90/04/411399004.db2.gz BOZBHRMZLISWGR-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657315062 411461318 /nfs/dbraw/zinc/46/13/18/411461318.db2.gz HILBFHHUEUHXSX-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657315062 411461322 /nfs/dbraw/zinc/46/13/22/411461322.db2.gz HILBFHHUEUHXSX-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CO1 ZINC000657315447 411461432 /nfs/dbraw/zinc/46/14/32/411461432.db2.gz NCJXATCQGSXEBI-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000070360486 411408394 /nfs/dbraw/zinc/40/83/94/411408394.db2.gz OZEKCYFLCXXNNV-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336723051 411412369 /nfs/dbraw/zinc/41/23/69/411412369.db2.gz TZDZAONFNBKUPO-AWEZNQCLSA-N 2 1 240.391 1.754 20 0 BDADMP CCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405369452 411426460 /nfs/dbraw/zinc/42/64/60/411426460.db2.gz INSKAWWMMKRKNY-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C(C)C ZINC000653596809 411430438 /nfs/dbraw/zinc/43/04/38/411430438.db2.gz NWYXPKGMVCSKJJ-GFCCVEGCSA-N 2 1 216.369 1.418 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C(C)C ZINC000653596809 411430440 /nfs/dbraw/zinc/43/04/40/411430440.db2.gz NWYXPKGMVCSKJJ-GFCCVEGCSA-N 2 1 216.369 1.418 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306089885 411432807 /nfs/dbraw/zinc/43/28/07/411432807.db2.gz LJTIAKDDYIZUBL-CQSZACIVSA-N 2 1 248.374 1.168 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306089885 411432809 /nfs/dbraw/zinc/43/28/09/411432809.db2.gz LJTIAKDDYIZUBL-CQSZACIVSA-N 2 1 248.374 1.168 20 0 BDADMP FCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655733363 411441654 /nfs/dbraw/zinc/44/16/54/411441654.db2.gz LWXUGEQWLDCMPH-ZDUSSCGKSA-N 2 1 244.354 1.579 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1CNCc1cnc2n1CCC2 ZINC000657291267 411452226 /nfs/dbraw/zinc/45/22/26/411452226.db2.gz WWNFMIVNZWDOEB-GFCCVEGCSA-N 2 1 248.374 1.403 20 0 BDADMP c1nn2c(c1C[NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000657296086 411454166 /nfs/dbraw/zinc/45/41/66/411454166.db2.gz RELACJOCQSFCBQ-UHFFFAOYSA-N 2 1 248.374 1.405 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](C)CC1 ZINC000655839443 411533348 /nfs/dbraw/zinc/53/33/48/411533348.db2.gz VWLICIYMDMQEGJ-GFCCVEGCSA-N 2 1 233.359 1.696 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CO1 ZINC000657376529 411485827 /nfs/dbraw/zinc/48/58/27/411485827.db2.gz RRJIMERWVSTKBG-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CO1 ZINC000657376529 411485830 /nfs/dbraw/zinc/48/58/30/411485830.db2.gz RRJIMERWVSTKBG-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CO1 ZINC000657376531 411486207 /nfs/dbraw/zinc/48/62/07/411486207.db2.gz RRJIMERWVSTKBG-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CO1 ZINC000657376531 411486210 /nfs/dbraw/zinc/48/62/10/411486210.db2.gz RRJIMERWVSTKBG-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]1CC[N@@H+](CCNCc2cnc3n2CCC3)C1 ZINC000657381283 411488344 /nfs/dbraw/zinc/48/83/44/411488344.db2.gz AHYUEBYEMNJRDD-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP C[C@H]1CCN(CC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657381283 411488346 /nfs/dbraw/zinc/48/83/46/411488346.db2.gz AHYUEBYEMNJRDD-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP C[NH+](C)C1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000655793041 411516029 /nfs/dbraw/zinc/51/60/29/411516029.db2.gz MWRRPUHGXOIQDX-NELGMTEASA-N 2 1 237.391 1.295 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H](COC)OC)CC1 ZINC000659983377 411518032 /nfs/dbraw/zinc/51/80/32/411518032.db2.gz KTBIBJOHBKWZBY-CYBMUJFWSA-N 2 1 244.379 1.064 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](COC)OC)CC1 ZINC000659983377 411518033 /nfs/dbraw/zinc/51/80/33/411518033.db2.gz KTBIBJOHBKWZBY-CYBMUJFWSA-N 2 1 244.379 1.064 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000655805852 411520514 /nfs/dbraw/zinc/52/05/14/411520514.db2.gz MEEPJYPGVHKSKF-MQYQWHSLSA-N 3 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCN1C ZINC000655805852 411520516 /nfs/dbraw/zinc/52/05/16/411520516.db2.gz MEEPJYPGVHKSKF-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000037484295 170007930 /nfs/dbraw/zinc/00/79/30/170007930.db2.gz KOYDZILJWICUSS-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)OC)C[C@H]1C ZINC000362183646 170009727 /nfs/dbraw/zinc/00/97/27/170009727.db2.gz PWANSSTZAJVPHL-VXGBXAGGSA-N 2 1 242.363 1.354 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)OC)C[C@H]1C ZINC000362183646 170009728 /nfs/dbraw/zinc/00/97/28/170009728.db2.gz PWANSSTZAJVPHL-VXGBXAGGSA-N 2 1 242.363 1.354 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328440711 170010523 /nfs/dbraw/zinc/01/05/23/170010523.db2.gz MJWXFPQWAMTDLR-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCO2)C[C@H]1C ZINC000336682226 170018526 /nfs/dbraw/zinc/01/85/26/170018526.db2.gz DAQXADRQWFUXPO-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCO2)C[C@H]1C ZINC000336682226 170018527 /nfs/dbraw/zinc/01/85/27/170018527.db2.gz DAQXADRQWFUXPO-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCO2)C[C@H]1C ZINC000336682226 170018529 /nfs/dbraw/zinc/01/85/29/170018529.db2.gz DAQXADRQWFUXPO-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000336712201 170019484 /nfs/dbraw/zinc/01/94/84/170019484.db2.gz RPLOZQBBNNFJSL-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000336712201 170019486 /nfs/dbraw/zinc/01/94/86/170019486.db2.gz RPLOZQBBNNFJSL-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000336712201 170019488 /nfs/dbraw/zinc/01/94/88/170019488.db2.gz RPLOZQBBNNFJSL-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H](C)CO)[C@@H](C)C1 ZINC000358363853 170021016 /nfs/dbraw/zinc/02/10/16/170021016.db2.gz FDORNTSKASLCFH-IHRRRGAJSA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@H](C)C1 ZINC000309046049 170021792 /nfs/dbraw/zinc/02/17/92/170021792.db2.gz OQFIGDHGNIYTMK-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000336777292 170022538 /nfs/dbraw/zinc/02/25/38/170022538.db2.gz IAASXGZKKZLXKH-LOWDOPEQSA-N 2 1 228.380 1.466 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000358293711 170022955 /nfs/dbraw/zinc/02/29/55/170022955.db2.gz AZPQPPCZAMTICD-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)OCC)CC1 ZINC000113656050 170112095 /nfs/dbraw/zinc/11/20/95/170112095.db2.gz RGSTVYCROJKTNW-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000314012730 411572939 /nfs/dbraw/zinc/57/29/39/411572939.db2.gz QYMBLRUIIQZJBU-ZIAGYGMSSA-N 2 1 249.358 1.510 20 0 BDADMP CCOCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339439477 170374666 /nfs/dbraw/zinc/37/46/66/170374666.db2.gz KJDGACFNCOEOMT-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339439477 170374668 /nfs/dbraw/zinc/37/46/68/170374668.db2.gz KJDGACFNCOEOMT-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339439477 170374669 /nfs/dbraw/zinc/37/46/69/170374669.db2.gz KJDGACFNCOEOMT-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907939 170382551 /nfs/dbraw/zinc/38/25/51/170382551.db2.gz DBRFQUSRCBKHJQ-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074197 170399627 /nfs/dbraw/zinc/39/96/27/170399627.db2.gz XNPISIBAUQCODX-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP C([NH2+][C@H]1CCOC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345930 411632586 /nfs/dbraw/zinc/63/25/86/411632586.db2.gz PDOPOQKHZXNFIN-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP CC[NH+]1CCC(Nc2cc(CO)cc(C)[nH+]2)CC1 ZINC000663353958 411636028 /nfs/dbraw/zinc/63/60/28/411636028.db2.gz GLENKDJZJGQPQM-UHFFFAOYSA-N 2 1 249.358 1.779 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657822746 411607086 /nfs/dbraw/zinc/60/70/86/411607086.db2.gz AKBBTUOYMZNIBO-LLVKDONJSA-N 2 1 228.405 1.956 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657842014 411609744 /nfs/dbraw/zinc/60/97/44/411609744.db2.gz SHWPLYKPDVQJAR-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657841119 411609762 /nfs/dbraw/zinc/60/97/62/411609762.db2.gz NKCACWCEKYUOGZ-OLZOCXBDSA-N 2 1 248.374 1.649 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657841119 411609764 /nfs/dbraw/zinc/60/97/64/411609764.db2.gz NKCACWCEKYUOGZ-OLZOCXBDSA-N 2 1 248.374 1.649 20 0 BDADMP CCOCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656049 411613733 /nfs/dbraw/zinc/61/37/33/411613733.db2.gz PINGXMAHOGXGJY-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656049 411613734 /nfs/dbraw/zinc/61/37/34/411613734.db2.gz PINGXMAHOGXGJY-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP CCOCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656049 411613735 /nfs/dbraw/zinc/61/37/35/411613735.db2.gz PINGXMAHOGXGJY-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP COCCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659800 411614063 /nfs/dbraw/zinc/61/40/63/411614063.db2.gz RIJTUUWEPTZYES-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659800 411614065 /nfs/dbraw/zinc/61/40/65/411614065.db2.gz RIJTUUWEPTZYES-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659800 411614066 /nfs/dbraw/zinc/61/40/66/411614066.db2.gz RIJTUUWEPTZYES-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC1(C)C ZINC000660754537 411621130 /nfs/dbraw/zinc/62/11/30/411621130.db2.gz INDUYACNACKHLR-OLZOCXBDSA-N 2 1 242.407 1.950 20 0 BDADMP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000663661154 411715814 /nfs/dbraw/zinc/71/58/14/411715814.db2.gz OHZZNABBZZRMEI-AAEUAGOBSA-N 2 1 249.358 1.777 20 0 BDADMP Cc1cc(CO)cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000663661154 411715817 /nfs/dbraw/zinc/71/58/17/411715817.db2.gz OHZZNABBZZRMEI-AAEUAGOBSA-N 2 1 249.358 1.777 20 0 BDADMP Cc1cc(CO)cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000663661156 411717590 /nfs/dbraw/zinc/71/75/90/411717590.db2.gz OHZZNABBZZRMEI-WCQYABFASA-N 2 1 249.358 1.777 20 0 BDADMP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000663661156 411717592 /nfs/dbraw/zinc/71/75/92/411717592.db2.gz OHZZNABBZZRMEI-WCQYABFASA-N 2 1 249.358 1.777 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3COC[C@H]3C2)CC[NH2+]1 ZINC000663500955 411682998 /nfs/dbraw/zinc/68/29/98/411682998.db2.gz QOAILJHHQHOHCB-YIYPIFLZSA-N 2 1 238.375 1.343 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)CC ZINC000661231739 411738147 /nfs/dbraw/zinc/73/81/47/411738147.db2.gz PZHGLRVBOIBNJD-VXGBXAGGSA-N 2 1 230.396 1.713 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000630526518 411742282 /nfs/dbraw/zinc/74/22/82/411742282.db2.gz XGHICXBNBCPDDI-VHSXEESVSA-N 2 1 235.335 1.095 20 0 BDADMP FCC[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000661689982 411839347 /nfs/dbraw/zinc/83/93/47/411839347.db2.gz HSVOQPGRWWKGSC-LBPRGKRZSA-N 2 1 225.311 1.955 20 0 BDADMP Cn1cncc1CCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661711180 411853685 /nfs/dbraw/zinc/85/36/85/411853685.db2.gz XQPRVEUWWSPWFC-GXTWGEPZSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661711180 411853688 /nfs/dbraw/zinc/85/36/88/411853688.db2.gz XQPRVEUWWSPWFC-GXTWGEPZSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661711180 411853692 /nfs/dbraw/zinc/85/36/92/411853692.db2.gz XQPRVEUWWSPWFC-GXTWGEPZSA-N 2 1 249.358 1.321 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139321 412001234 /nfs/dbraw/zinc/00/12/34/412001234.db2.gz ATYGBXMJHXKGHU-UONOGXRCSA-N 2 1 242.407 1.669 20 0 BDADMP CC[C@@H](C)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154588 412008029 /nfs/dbraw/zinc/00/80/29/412008029.db2.gz XWJKJPPHAQBTSO-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662029425 411945819 /nfs/dbraw/zinc/94/58/19/411945819.db2.gz GEANJLYMZOPNPS-OLZOCXBDSA-N 2 1 235.331 1.160 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662029425 411945823 /nfs/dbraw/zinc/94/58/23/411945823.db2.gz GEANJLYMZOPNPS-OLZOCXBDSA-N 2 1 235.331 1.160 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662034518 411951925 /nfs/dbraw/zinc/95/19/25/411951925.db2.gz NPRIXJHNLGYKKI-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662034518 411951928 /nfs/dbraw/zinc/95/19/28/411951928.db2.gz NPRIXJHNLGYKKI-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662034518 411951931 /nfs/dbraw/zinc/95/19/31/411951931.db2.gz NPRIXJHNLGYKKI-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+](CC1=CCSC1)CC1CC[NH2+]CC1 ZINC000662230821 412031729 /nfs/dbraw/zinc/03/17/29/412031729.db2.gz HLMRGXTUFKDHML-UHFFFAOYSA-N 2 1 226.389 1.591 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000662235776 412033839 /nfs/dbraw/zinc/03/38/39/412033839.db2.gz SNCYKTGVRYRADU-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000662235776 412033846 /nfs/dbraw/zinc/03/38/46/412033846.db2.gz SNCYKTGVRYRADU-QWHCGFSZSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662238160 412034271 /nfs/dbraw/zinc/03/42/71/412034271.db2.gz NPOVXQSAFIAVCE-CYBMUJFWSA-N 2 1 208.349 1.884 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[C@@H]1C[NH3+])C1CCC1 ZINC000662246473 412042938 /nfs/dbraw/zinc/04/29/38/412042938.db2.gz UNZNMLCDFJICCW-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@@H]1C[NH3+])C1CCC1 ZINC000662246473 412042942 /nfs/dbraw/zinc/04/29/42/412042942.db2.gz UNZNMLCDFJICCW-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662247921 412045202 /nfs/dbraw/zinc/04/52/02/412045202.db2.gz OOUXPAZWCUIZOS-IEECTRCBSA-N 2 1 224.348 1.081 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662247921 412045204 /nfs/dbraw/zinc/04/52/04/412045204.db2.gz OOUXPAZWCUIZOS-IEECTRCBSA-N 2 1 224.348 1.081 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc(C)n1 ZINC000662266387 412058108 /nfs/dbraw/zinc/05/81/08/412058108.db2.gz XJMOYIYDFYDFNS-JQWIXIFHSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc(C)n1 ZINC000662266387 412058114 /nfs/dbraw/zinc/05/81/14/412058114.db2.gz XJMOYIYDFYDFNS-JQWIXIFHSA-N 2 1 234.347 1.263 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051919014 171084672 /nfs/dbraw/zinc/08/46/72/171084672.db2.gz SKOPBCDZCMFLMP-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305749597 171125904 /nfs/dbraw/zinc/12/59/04/171125904.db2.gz XPHYRCVKTQBSTD-SYQHCUMBSA-N 2 1 242.407 1.713 20 0 BDADMP CC1([NH3+])CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662270088 412060768 /nfs/dbraw/zinc/06/07/68/412060768.db2.gz HXVDLUDFTLENNC-SECBINFHSA-N 2 1 234.290 1.224 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)nc(C)n1 ZINC000662282265 412072531 /nfs/dbraw/zinc/07/25/31/412072531.db2.gz ODZLXBKMFRYVMF-MFKMUULPSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)nc(C)n1 ZINC000662282265 412072534 /nfs/dbraw/zinc/07/25/34/412072534.db2.gz ODZLXBKMFRYVMF-MFKMUULPSA-N 2 1 248.374 1.510 20 0 BDADMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cn1 ZINC000662295477 412083914 /nfs/dbraw/zinc/08/39/14/412083914.db2.gz LBBFTLFXXJNIHD-LBPRGKRZSA-N 2 1 235.331 1.132 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cn1 ZINC000662295477 412083918 /nfs/dbraw/zinc/08/39/18/412083918.db2.gz LBBFTLFXXJNIHD-LBPRGKRZSA-N 2 1 235.331 1.132 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000336707098 171305874 /nfs/dbraw/zinc/30/58/74/171305874.db2.gz RQNLHBWNTRNUCV-RYUDHWBXSA-N 3 1 215.385 1.434 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000336707098 171305877 /nfs/dbraw/zinc/30/58/77/171305877.db2.gz RQNLHBWNTRNUCV-RYUDHWBXSA-N 3 1 215.385 1.434 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226397005 171306052 /nfs/dbraw/zinc/30/60/52/171306052.db2.gz UKCBVXYRCAVIJW-WDEREUQCSA-N 2 1 243.395 1.206 20 0 BDADMP C[N@@H+](CCCc1ccncc1)CC(C)(C)[NH3+] ZINC000662295372 412084766 /nfs/dbraw/zinc/08/47/66/412084766.db2.gz QRGGMTGIBRVHAW-UHFFFAOYSA-N 2 1 221.348 1.683 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](C)C1 ZINC000662297030 412085187 /nfs/dbraw/zinc/08/51/87/412085187.db2.gz XXWOWBXOVQGASQ-UPJWGTAASA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292072 412079494 /nfs/dbraw/zinc/07/94/94/412079494.db2.gz LVJDLYHWRTXIBA-WCQYABFASA-N 3 1 225.380 1.045 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309093966 171365478 /nfs/dbraw/zinc/36/54/78/171365478.db2.gz DGBDLPFTZQPFBO-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309093966 171365479 /nfs/dbraw/zinc/36/54/79/171365479.db2.gz DGBDLPFTZQPFBO-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336666692 171389133 /nfs/dbraw/zinc/38/91/33/171389133.db2.gz QAGKBFPMKLCNTA-GMXVVIOVSA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336666692 171389134 /nfs/dbraw/zinc/38/91/34/171389134.db2.gz QAGKBFPMKLCNTA-GMXVVIOVSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000662312112 412094453 /nfs/dbraw/zinc/09/44/53/412094453.db2.gz FZVCNBHSNJWNCN-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000662312112 412094454 /nfs/dbraw/zinc/09/44/54/412094454.db2.gz FZVCNBHSNJWNCN-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662311033 412094686 /nfs/dbraw/zinc/09/46/86/412094686.db2.gz PUNVSDUCEZDBPC-IHRRRGAJSA-N 2 1 238.375 1.344 20 0 BDADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000662314662 412096403 /nfs/dbraw/zinc/09/64/03/412096403.db2.gz AJGZYUPCZQGDDW-CQSZACIVSA-N 2 1 233.359 1.546 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662314498 412096643 /nfs/dbraw/zinc/09/66/43/412096643.db2.gz PWCDAWHWEUMHFQ-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1=CCSC1 ZINC000662326809 412099788 /nfs/dbraw/zinc/09/97/88/412099788.db2.gz CNXPFSLJWGCYOM-LBPRGKRZSA-N 2 1 240.416 1.981 20 0 BDADMP CC12CC(C1)C[N@H+]2CCC1CC[NH2+]CC1 ZINC000662337924 412108334 /nfs/dbraw/zinc/10/83/34/412108334.db2.gz NWXGWRRIEAFBNH-UHFFFAOYSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236629 412176926 /nfs/dbraw/zinc/17/69/26/412176926.db2.gz QXFRTRHUONGNBT-AGIUHOORSA-N 2 1 239.407 1.447 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249693 412194848 /nfs/dbraw/zinc/19/48/48/412194848.db2.gz WUVVXLINXLEHSI-JTQLQIEISA-N 2 1 236.363 1.651 20 0 BDADMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cnn(C)c1 ZINC000665249511 412195078 /nfs/dbraw/zinc/19/50/78/412195078.db2.gz RUCOORHZBITIOP-LBPRGKRZSA-N 2 1 236.363 1.732 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000665265239 412208756 /nfs/dbraw/zinc/20/87/56/412208756.db2.gz SSCQLRWBAUCSFH-LPWJVIDDSA-N 2 1 226.364 1.674 20 0 BDADMP CC[C@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CCC[NH2+]1 ZINC000665232110 412170510 /nfs/dbraw/zinc/17/05/10/412170510.db2.gz GDNSJBOHEFYJFT-KBPBESRZSA-N 2 1 233.359 1.889 20 0 BDADMP C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000665272523 412214231 /nfs/dbraw/zinc/21/42/31/412214231.db2.gz GWTNOZQQUFLXRP-MELADBBJSA-N 2 1 241.423 1.822 20 0 BDADMP Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000665233330 412172636 /nfs/dbraw/zinc/17/26/36/412172636.db2.gz DYIXRFMQGHXLDD-LSDHHAIUSA-N 2 1 245.370 1.985 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCCC[NH2+]1 ZINC000422748015 412173188 /nfs/dbraw/zinc/17/31/88/412173188.db2.gz RPHYXNVEKUBAFK-LBELIVKGSA-N 2 1 224.348 1.427 20 0 BDADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000665274558 412217408 /nfs/dbraw/zinc/21/74/08/412217408.db2.gz SQRAGRKHJXSEBB-MGPQQGTHSA-N 2 1 216.328 1.884 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665274247 412218154 /nfs/dbraw/zinc/21/81/54/412218154.db2.gz MGQZTSFFPDPSFV-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665274247 412218157 /nfs/dbraw/zinc/21/81/57/412218157.db2.gz MGQZTSFFPDPSFV-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000665280884 412226476 /nfs/dbraw/zinc/22/64/76/412226476.db2.gz OAGJLXHBQIGJQP-MGPQQGTHSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000665280884 412226479 /nfs/dbraw/zinc/22/64/79/412226479.db2.gz OAGJLXHBQIGJQP-MGPQQGTHSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000665280884 412226482 /nfs/dbraw/zinc/22/64/82/412226482.db2.gz OAGJLXHBQIGJQP-MGPQQGTHSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccn(C)n1 ZINC000665282270 412227605 /nfs/dbraw/zinc/22/76/05/412227605.db2.gz URKTWKLGSAMTPJ-VXGBXAGGSA-N 2 1 238.379 1.834 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000665282411 412227990 /nfs/dbraw/zinc/22/79/90/412227990.db2.gz XPMXNIPIIKHSAM-VHSXEESVSA-N 2 1 238.335 1.206 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662608864 412239868 /nfs/dbraw/zinc/23/98/68/412239868.db2.gz QPCKYJDBKWOEMN-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]CCOCCF)c2ccccc21 ZINC000665299439 412248008 /nfs/dbraw/zinc/24/80/08/412248008.db2.gz NCMZLJVOLPWMDH-STQMWFEESA-N 2 1 238.306 1.707 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000310767135 172164156 /nfs/dbraw/zinc/16/41/56/172164156.db2.gz CBHLPQCEQHSPKG-OKILXGFUSA-N 2 1 248.374 1.334 20 0 BDADMP CCn1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000291781210 172170234 /nfs/dbraw/zinc/17/02/34/172170234.db2.gz UYCUKLGPCBQSCH-LLVKDONJSA-N 2 1 224.352 1.190 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000310199228 172193371 /nfs/dbraw/zinc/19/33/71/172193371.db2.gz BESWUJASIULDKO-VXGBXAGGSA-N 2 1 238.379 1.751 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229058248 172265542 /nfs/dbraw/zinc/26/55/42/172265542.db2.gz UAHGIGXCRGUNSK-NEPJUHHUSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229058248 172265546 /nfs/dbraw/zinc/26/55/46/172265546.db2.gz UAHGIGXCRGUNSK-NEPJUHHUSA-N 2 1 236.363 1.320 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293652109 173039600 /nfs/dbraw/zinc/03/96/00/173039600.db2.gz NBJJISYATNMDPH-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293652109 173039603 /nfs/dbraw/zinc/03/96/03/173039603.db2.gz NBJJISYATNMDPH-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293652109 173039605 /nfs/dbraw/zinc/03/96/05/173039605.db2.gz NBJJISYATNMDPH-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293652109 173039608 /nfs/dbraw/zinc/03/96/08/173039608.db2.gz NBJJISYATNMDPH-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000054239851 173041499 /nfs/dbraw/zinc/04/14/99/173041499.db2.gz AIBXKKIPXXKSDK-PNESKVBLSA-N 2 1 226.364 1.221 20 0 BDADMP CN1CC[N@@H+](CCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000036998842 173078265 /nfs/dbraw/zinc/07/82/65/173078265.db2.gz RHFCHTDSWBCCCX-HNNXBMFYSA-N 2 1 247.386 1.714 20 0 BDADMP CN(Cc1cnc(N)s1)C[C@@H]1CC[N@@H+](C)C1 ZINC000086766225 173113860 /nfs/dbraw/zinc/11/38/60/173113860.db2.gz HHVQFKGFIBDJNI-SECBINFHSA-N 2 1 240.376 1.109 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292866986 173141236 /nfs/dbraw/zinc/14/12/36/173141236.db2.gz VXJWUKPGCIQINF-CQSZACIVSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292866986 173141238 /nfs/dbraw/zinc/14/12/38/173141238.db2.gz VXJWUKPGCIQINF-CQSZACIVSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292866986 173141239 /nfs/dbraw/zinc/14/12/39/173141239.db2.gz VXJWUKPGCIQINF-CQSZACIVSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292866986 173141241 /nfs/dbraw/zinc/14/12/41/173141241.db2.gz VXJWUKPGCIQINF-CQSZACIVSA-N 2 1 233.359 1.553 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000037484800 173147519 /nfs/dbraw/zinc/14/75/19/173147519.db2.gz SVQAENKFECCMCW-SNVBAGLBSA-N 2 1 214.378 1.423 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCF)[C@H]2CCC[C@@H]21 ZINC000308909993 173153436 /nfs/dbraw/zinc/15/34/36/173153436.db2.gz DMGXKJKLFMDVGG-WOPDTQHZSA-N 2 1 214.328 1.808 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000358258395 173165814 /nfs/dbraw/zinc/16/58/14/173165814.db2.gz TXYAKFLCRURDRE-MCIONIFRSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000358258395 173165815 /nfs/dbraw/zinc/16/58/15/173165815.db2.gz TXYAKFLCRURDRE-MCIONIFRSA-N 2 1 238.375 1.221 20 0 BDADMP C[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000121291801 173348115 /nfs/dbraw/zinc/34/81/15/173348115.db2.gz LBZYKLYNHFGZNR-ZDUSSCGKSA-N 2 1 249.358 1.015 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000083366299 173348786 /nfs/dbraw/zinc/34/87/86/173348786.db2.gz ZOZTXPFYMUSYLX-UHFFFAOYSA-N 2 1 238.331 1.403 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000011891975 173370420 /nfs/dbraw/zinc/37/04/20/173370420.db2.gz IZDRBPYUYFSLJK-NSHDSACASA-N 2 1 224.373 1.832 20 0 BDADMP C[NH2+]Cc1ccc(NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC000295193750 173389013 /nfs/dbraw/zinc/38/90/13/173389013.db2.gz JIABPOQJBNFZKI-UHFFFAOYSA-N 2 1 249.358 1.685 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300214962 174019968 /nfs/dbraw/zinc/01/99/68/174019968.db2.gz ALDXNUPTUNRCHO-QCXCNERSSA-N 2 1 224.348 1.380 20 0 BDADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000355033982 174143856 /nfs/dbraw/zinc/14/38/56/174143856.db2.gz FRWLXDUEGKHVHW-STQMWFEESA-N 2 1 242.407 1.979 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000309461463 174178766 /nfs/dbraw/zinc/17/87/66/174178766.db2.gz OXXHKGYWYHDTIC-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000336745062 174179477 /nfs/dbraw/zinc/17/94/77/174179477.db2.gz QMJXUTWMQSSCLL-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336672935 174196204 /nfs/dbraw/zinc/19/62/04/174196204.db2.gz GRIZIJMPAYCSHL-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP COCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000044656760 174200850 /nfs/dbraw/zinc/20/08/50/174200850.db2.gz SHQUPDVQGDBSSF-YHWZYXNKSA-N 2 1 226.364 1.628 20 0 BDADMP COCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367218149 174216588 /nfs/dbraw/zinc/21/65/88/174216588.db2.gz QUHDBQBMUURYOA-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP COCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367218149 174216589 /nfs/dbraw/zinc/21/65/89/174216589.db2.gz QUHDBQBMUURYOA-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP COCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367218149 174216591 /nfs/dbraw/zinc/21/65/91/174216591.db2.gz QUHDBQBMUURYOA-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]Cc1cccn1C ZINC000161635336 174275880 /nfs/dbraw/zinc/27/58/80/174275880.db2.gz KECWNILJWGNVMC-UHFFFAOYSA-N 2 1 239.363 1.083 20 0 BDADMP COCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000045019132 174381826 /nfs/dbraw/zinc/38/18/26/174381826.db2.gz ZJZNEGJDHFYHJC-SNVBAGLBSA-N 2 1 200.326 1.095 20 0 BDADMP COC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000234792769 174602395 /nfs/dbraw/zinc/60/23/95/174602395.db2.gz WRKLOPRUANJEPS-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP COc1ccc(C)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574757 175074782 /nfs/dbraw/zinc/07/47/82/175074782.db2.gz OSAMWSFAFKVSKY-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP COc1ccc(C)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574757 175074784 /nfs/dbraw/zinc/07/47/84/175074784.db2.gz OSAMWSFAFKVSKY-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000049713122 175260506 /nfs/dbraw/zinc/26/05/06/175260506.db2.gz VWCBZWSJGSRPBH-FZMZJTMJSA-N 2 1 234.343 1.864 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383493986 487630429 /nfs/dbraw/zinc/63/04/29/487630429.db2.gz BGSJGYONQXGKRT-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000383493986 487630430 /nfs/dbraw/zinc/63/04/30/487630430.db2.gz BGSJGYONQXGKRT-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383493986 487630433 /nfs/dbraw/zinc/63/04/33/487630433.db2.gz BGSJGYONQXGKRT-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126888295 175327154 /nfs/dbraw/zinc/32/71/54/175327154.db2.gz GEJBXUYNUIHZTO-VXGBXAGGSA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)[NH3+] ZINC000040920151 176070871 /nfs/dbraw/zinc/07/08/71/176070871.db2.gz CYBUXGHQQNBAOZ-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357956112 176084315 /nfs/dbraw/zinc/08/43/15/176084315.db2.gz GQDRILFBFXXBIG-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357956112 176084317 /nfs/dbraw/zinc/08/43/17/176084317.db2.gz GQDRILFBFXXBIG-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC000050564926 176097571 /nfs/dbraw/zinc/09/75/71/176097571.db2.gz WYTNEESEYFHTRX-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000310334042 176099403 /nfs/dbraw/zinc/09/94/03/176099403.db2.gz KVIKTHGXIAHKER-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000310334042 176099406 /nfs/dbraw/zinc/09/94/06/176099406.db2.gz KVIKTHGXIAHKER-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000310334042 176099407 /nfs/dbraw/zinc/09/94/07/176099407.db2.gz KVIKTHGXIAHKER-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000310334042 176099409 /nfs/dbraw/zinc/09/94/09/176099409.db2.gz KVIKTHGXIAHKER-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310120995 176115474 /nfs/dbraw/zinc/11/54/74/176115474.db2.gz VAQUBKVVELAWMZ-BZPMIXESSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310120995 176115476 /nfs/dbraw/zinc/11/54/76/176115476.db2.gz VAQUBKVVELAWMZ-BZPMIXESSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336666548 176150578 /nfs/dbraw/zinc/15/05/78/176150578.db2.gz PVECANOFXZASRW-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336666548 176150580 /nfs/dbraw/zinc/15/05/80/176150580.db2.gz PVECANOFXZASRW-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000333348173 176185001 /nfs/dbraw/zinc/18/50/01/176185001.db2.gz ZSTGRBNPLJMOMB-XQHKEYJVSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000333348171 176185572 /nfs/dbraw/zinc/18/55/72/176185572.db2.gz ZSTGRBNPLJMOMB-NDBYEHHHSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000310581813 176269881 /nfs/dbraw/zinc/26/98/81/176269881.db2.gz RJFSBSJZYGWUBI-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000361526001 176270389 /nfs/dbraw/zinc/27/03/89/176270389.db2.gz OTHKSSYUBNBKJQ-FRRDWIJNSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000336781327 176271298 /nfs/dbraw/zinc/27/12/98/176271298.db2.gz UJKXKOLGFDOWOF-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000358412121 176274133 /nfs/dbraw/zinc/27/41/33/176274133.db2.gz XZKSRGJISUASFM-RQJABVFESA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358412121 176274135 /nfs/dbraw/zinc/27/41/35/176274135.db2.gz XZKSRGJISUASFM-RQJABVFESA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358412121 176274136 /nfs/dbraw/zinc/27/41/36/176274136.db2.gz XZKSRGJISUASFM-RQJABVFESA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358412121 176274138 /nfs/dbraw/zinc/27/41/38/176274138.db2.gz XZKSRGJISUASFM-RQJABVFESA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358412121 176274139 /nfs/dbraw/zinc/27/41/39/176274139.db2.gz XZKSRGJISUASFM-RQJABVFESA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccnc1 ZINC000037718073 176278967 /nfs/dbraw/zinc/27/89/67/176278967.db2.gz FOAGROGKXPAVDW-NFAWXSAZSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000336701910 176279386 /nfs/dbraw/zinc/27/93/86/176279386.db2.gz JZKNVSOCQZQXLF-MHDGFBEUSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000335759065 176288465 /nfs/dbraw/zinc/28/84/65/176288465.db2.gz UOSNEHHBHCYMAP-YPMHNXCESA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000336674716 176296049 /nfs/dbraw/zinc/29/60/49/176296049.db2.gz BYISUMQCFZSCAH-BZPMIXESSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000336674716 176296051 /nfs/dbraw/zinc/29/60/51/176296051.db2.gz BYISUMQCFZSCAH-BZPMIXESSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000336674716 176296052 /nfs/dbraw/zinc/29/60/52/176296052.db2.gz BYISUMQCFZSCAH-BZPMIXESSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000336674716 176296054 /nfs/dbraw/zinc/29/60/54/176296054.db2.gz BYISUMQCFZSCAH-BZPMIXESSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000049708640 176307128 /nfs/dbraw/zinc/30/71/28/176307128.db2.gz PNZCRCNGURWMQT-MFKMUULPSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000049708640 176307130 /nfs/dbraw/zinc/30/71/30/176307130.db2.gz PNZCRCNGURWMQT-MFKMUULPSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2C)CC[N@@H+]1C ZINC000300803206 176342561 /nfs/dbraw/zinc/34/25/61/176342561.db2.gz FJYSJATXLFENEK-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2C)CC[N@H+]1C ZINC000300803206 176342563 /nfs/dbraw/zinc/34/25/63/176342563.db2.gz FJYSJATXLFENEK-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000308893942 176353651 /nfs/dbraw/zinc/35/36/51/176353651.db2.gz YVFMMVATOSYHAI-KKOKHZNYSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000308893942 176353652 /nfs/dbraw/zinc/35/36/52/176353652.db2.gz YVFMMVATOSYHAI-KKOKHZNYSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000336644262 176362531 /nfs/dbraw/zinc/36/25/31/176362531.db2.gz CDACBSYHSJCCCB-NQBHXWOUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336644262 176362533 /nfs/dbraw/zinc/36/25/33/176362533.db2.gz CDACBSYHSJCCCB-NQBHXWOUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336644262 176362535 /nfs/dbraw/zinc/36/25/35/176362535.db2.gz CDACBSYHSJCCCB-NQBHXWOUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336644262 176362537 /nfs/dbraw/zinc/36/25/37/176362537.db2.gz CDACBSYHSJCCCB-NQBHXWOUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336644262 176362539 /nfs/dbraw/zinc/36/25/39/176362539.db2.gz CDACBSYHSJCCCB-NQBHXWOUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H](CN2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]1 ZINC000235413025 176369360 /nfs/dbraw/zinc/36/93/60/176369360.db2.gz GZPYEVHOCPTPKL-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1C[C@@H](NCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000309960588 176375447 /nfs/dbraw/zinc/37/54/47/176375447.db2.gz YEJDTUDZWWPDOO-UKRRQHHQSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH3+])CN1Cc1ccccc1 ZINC000309960588 176375449 /nfs/dbraw/zinc/37/54/49/176375449.db2.gz YEJDTUDZWWPDOO-UKRRQHHQSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@@H+]1C ZINC000361982578 176379095 /nfs/dbraw/zinc/37/90/95/176379095.db2.gz RJKVJBSYUMXYAX-WXHSDQCUSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@H+]1C ZINC000361982578 176379097 /nfs/dbraw/zinc/37/90/97/176379097.db2.gz RJKVJBSYUMXYAX-WXHSDQCUSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2(C)C)CC[N@@H+]1C ZINC000328384395 176379192 /nfs/dbraw/zinc/37/91/92/176379192.db2.gz LNTYFJYJEYSXEK-WOPDTQHZSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2(C)C)CC[N@H+]1C ZINC000328384395 176379193 /nfs/dbraw/zinc/37/91/93/176379193.db2.gz LNTYFJYJEYSXEK-WOPDTQHZSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccnc1 ZINC000049712451 176416075 /nfs/dbraw/zinc/41/60/75/176416075.db2.gz GUBKNOPREMAFPC-ZYHUDNBSSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccnc1 ZINC000049712451 176416077 /nfs/dbraw/zinc/41/60/77/176416077.db2.gz GUBKNOPREMAFPC-ZYHUDNBSSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCOCC[NH3+] ZINC000357069958 176504229 /nfs/dbraw/zinc/50/42/29/176504229.db2.gz IDUIBVMIEAKXKU-UKRRQHHQSA-N 2 1 248.370 1.840 20 0 BDADMP C[C@@H](CO)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678043260 487635370 /nfs/dbraw/zinc/63/53/70/487635370.db2.gz ACBLEKYSOAQDEA-KGLIPLIRSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+](C)CCn1ccnc1 ZINC000162440333 177050444 /nfs/dbraw/zinc/05/04/44/177050444.db2.gz DEGWWQNPMRJIBO-GFCCVEGCSA-N 2 1 230.315 1.971 20 0 BDADMP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1C ZINC000135189672 177158058 /nfs/dbraw/zinc/15/80/58/177158058.db2.gz NCWKGMQEBPJAIB-RYUDHWBXSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCSCC1 ZINC000335639492 177175759 /nfs/dbraw/zinc/17/57/59/177175759.db2.gz VIGJXCBXGJZTJB-GXSJLCMTSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336722171 177239375 /nfs/dbraw/zinc/23/93/75/177239375.db2.gz STRKIVJOUIRNCD-ZOBORPQBSA-N 2 1 241.423 1.502 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336722171 177239377 /nfs/dbraw/zinc/23/93/77/177239377.db2.gz STRKIVJOUIRNCD-ZOBORPQBSA-N 3 1 241.423 1.502 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336722171 177239379 /nfs/dbraw/zinc/23/93/79/177239379.db2.gz STRKIVJOUIRNCD-ZOBORPQBSA-N 3 1 241.423 1.502 20 0 BDADMP C[C@H]1C[NH+](CC(C)(C)[NH3+])C[C@H](C)S1 ZINC000069910169 177245432 /nfs/dbraw/zinc/24/54/32/177245432.db2.gz UYUGFXPMIAYOKD-IUCAKERBSA-N 2 1 202.367 1.550 20 0 BDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000035786780 177246376 /nfs/dbraw/zinc/24/63/76/177246376.db2.gz NQPUKESXVSIXMQ-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000336339498 177254346 /nfs/dbraw/zinc/25/43/46/177254346.db2.gz DMCIAUJLENBEFD-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000336339498 177254348 /nfs/dbraw/zinc/25/43/48/177254348.db2.gz DMCIAUJLENBEFD-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000336339498 177254349 /nfs/dbraw/zinc/25/43/49/177254349.db2.gz DMCIAUJLENBEFD-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000158511913 177333829 /nfs/dbraw/zinc/33/38/29/177333829.db2.gz ZFCBOZLCYLJTHN-MBNYWOFBSA-N 2 1 235.375 1.843 20 0 BDADMP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC[NH3+] ZINC000082929063 177339485 /nfs/dbraw/zinc/33/94/85/177339485.db2.gz ZSSLQFNAJANEJG-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[NH3+] ZINC000082929063 177339486 /nfs/dbraw/zinc/33/94/86/177339486.db2.gz ZSSLQFNAJANEJG-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000216070106 177361252 /nfs/dbraw/zinc/36/12/52/177361252.db2.gz LBUWMSSAESGWPW-WCQYABFASA-N 2 1 246.354 1.791 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cccnc2)CC[NH2+]1 ZINC000235659929 177361264 /nfs/dbraw/zinc/36/12/64/177361264.db2.gz ZRBXBSPSLCKLNR-QWHCGFSZSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCn2cccn2)CC[N@@H+]1C ZINC000123781098 177364646 /nfs/dbraw/zinc/36/46/46/177364646.db2.gz HBFRMQDVQNUJKW-QWHCGFSZSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCn2cccn2)CC[N@H+]1C ZINC000123781098 177364647 /nfs/dbraw/zinc/36/46/47/177364647.db2.gz HBFRMQDVQNUJKW-QWHCGFSZSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCn2cccn2)CC[NH+]1C ZINC000123781098 177364648 /nfs/dbraw/zinc/36/46/48/177364648.db2.gz HBFRMQDVQNUJKW-QWHCGFSZSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCn2cccn2)CC[NH+]1C ZINC000123781098 177364649 /nfs/dbraw/zinc/36/46/49/177364649.db2.gz HBFRMQDVQNUJKW-QWHCGFSZSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccnc1 ZINC000037718074 177370171 /nfs/dbraw/zinc/37/01/71/177370171.db2.gz FOAGROGKXPAVDW-IPYPFGDCSA-N 2 1 247.386 1.942 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087325961 487641129 /nfs/dbraw/zinc/64/11/29/487641129.db2.gz IUBKRRVESYVQJA-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCOC1 ZINC000471756822 225077845 /nfs/dbraw/zinc/07/78/45/225077845.db2.gz HSNRRQWTJQRHQF-NEPJUHHUSA-N 2 1 237.347 1.367 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C/C=C\c1ccncc1 ZINC000486947171 225273773 /nfs/dbraw/zinc/27/37/73/225273773.db2.gz UGKSHVVMRMBJRZ-IHWYPQMZSA-N 2 1 242.326 1.890 20 0 BDADMP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400396364 226342751 /nfs/dbraw/zinc/34/27/51/226342751.db2.gz JLSOLFZDXKOLLH-JLLWLGSASA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000400562500 226346191 /nfs/dbraw/zinc/34/61/91/226346191.db2.gz IAOIYJJKTMDZLR-NTZNESFSSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H](NCC1(C)CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400720697 226350485 /nfs/dbraw/zinc/35/04/85/226350485.db2.gz OKAMMBNDENJFQS-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2cncn2C)CC[C@H]1[NH3+] ZINC000314012296 487656839 /nfs/dbraw/zinc/65/68/39/487656839.db2.gz NVYKCWYPSUMGSX-DGCLKSJQSA-N 2 1 236.363 1.022 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383756123 487670586 /nfs/dbraw/zinc/67/05/86/487670586.db2.gz KPTIDDAUEIVKHL-UONOGXRCSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000383756123 487670588 /nfs/dbraw/zinc/67/05/88/487670588.db2.gz KPTIDDAUEIVKHL-UONOGXRCSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383756123 487670591 /nfs/dbraw/zinc/67/05/91/487670591.db2.gz KPTIDDAUEIVKHL-UONOGXRCSA-N 2 1 242.407 1.665 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)C12CCC2 ZINC000308365362 229230609 /nfs/dbraw/zinc/23/06/09/229230609.db2.gz KMRPDMOQKOKLGL-OLZOCXBDSA-N 2 1 249.358 1.739 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000383805611 487675026 /nfs/dbraw/zinc/67/50/26/487675026.db2.gz UJKFXEMXYMNACD-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000383805611 487675033 /nfs/dbraw/zinc/67/50/33/487675033.db2.gz UJKFXEMXYMNACD-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000383805611 487675042 /nfs/dbraw/zinc/67/50/42/487675042.db2.gz UJKFXEMXYMNACD-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@@H]1C ZINC000383926247 487681725 /nfs/dbraw/zinc/68/17/25/487681725.db2.gz DSRQGENTWMCAQP-MJBXVCDLSA-N 2 1 242.407 1.950 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000383926247 487681731 /nfs/dbraw/zinc/68/17/31/487681731.db2.gz DSRQGENTWMCAQP-MJBXVCDLSA-N 2 1 242.407 1.950 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000383926247 487681736 /nfs/dbraw/zinc/68/17/36/487681736.db2.gz DSRQGENTWMCAQP-MJBXVCDLSA-N 2 1 242.407 1.950 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)C1CC1 ZINC000675509999 487743665 /nfs/dbraw/zinc/74/36/65/487743665.db2.gz LGVWLPJDEHBXCC-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385249464 487777508 /nfs/dbraw/zinc/77/75/08/487777508.db2.gz PXNIGJZYKOLNAW-KBPBESRZSA-N 2 1 248.374 1.289 20 0 BDADMP CC[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)CC[C@@H]1[NH3+] ZINC000251868622 487803940 /nfs/dbraw/zinc/80/39/40/487803940.db2.gz UFNQSYLQQQMIRM-UTUOFQBUSA-N 2 1 234.347 1.597 20 0 BDADMP CC[C@@H]1C[N@H+]([C@H](C)c2cnccn2)CC[C@@H]1[NH3+] ZINC000251868622 487803948 /nfs/dbraw/zinc/80/39/48/487803948.db2.gz UFNQSYLQQQMIRM-UTUOFQBUSA-N 2 1 234.347 1.597 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309256101 487808478 /nfs/dbraw/zinc/80/84/78/487808478.db2.gz OGMNRBBAFKUGAK-STQMWFEESA-N 2 1 230.396 1.808 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309256101 487808483 /nfs/dbraw/zinc/80/84/83/487808483.db2.gz OGMNRBBAFKUGAK-STQMWFEESA-N 2 1 230.396 1.808 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309256101 487808486 /nfs/dbraw/zinc/80/84/86/487808486.db2.gz OGMNRBBAFKUGAK-STQMWFEESA-N 2 1 230.396 1.808 20 0 BDADMP Cc1ccc(C[N@@H+](CCO)CCC[NH3+])cc1 ZINC000414715546 487818925 /nfs/dbraw/zinc/81/89/25/487818925.db2.gz RBKAROQHRZFNQU-UHFFFAOYSA-N 2 1 222.332 1.138 20 0 BDADMP CC(C)C[C@]1(CO)CCC[N@H+]1CCC[NH3+] ZINC000414751565 487822000 /nfs/dbraw/zinc/82/20/00/487822000.db2.gz APNTYRYTDFMHRD-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252831263 487834974 /nfs/dbraw/zinc/83/49/74/487834974.db2.gz MDVFFIBNXHSSDB-QWHCGFSZSA-N 2 1 246.354 1.833 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccc(C)nc2)CC[C@H]1[NH3+] ZINC000252901587 487837501 /nfs/dbraw/zinc/83/75/01/487837501.db2.gz LFSVWGWNQZYWCC-UONOGXRCSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(C)nc2)CC[C@H]1[NH3+] ZINC000252901587 487837506 /nfs/dbraw/zinc/83/75/06/487837506.db2.gz LFSVWGWNQZYWCC-UONOGXRCSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[NH3+])C(=O)N1c1ccccc1 ZINC000415120982 487838277 /nfs/dbraw/zinc/83/82/77/487838277.db2.gz YLQYNJWQMSVVSP-YPMHNXCESA-N 2 1 247.342 1.119 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](CCO)CC(C)(C)C)CC[NH2+]1 ZINC000666639244 487849447 /nfs/dbraw/zinc/84/94/47/487849447.db2.gz PNDQFFNPYSWVBI-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP CC1(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000309500391 487887738 /nfs/dbraw/zinc/88/77/38/487887738.db2.gz LKDRRDXDSHFSFM-NEPJUHHUSA-N 2 1 208.349 1.860 20 0 BDADMP CC1(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000309500391 487887744 /nfs/dbraw/zinc/88/77/44/487887744.db2.gz LKDRRDXDSHFSFM-NEPJUHHUSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc2ccccn12 ZINC000666879643 487895768 /nfs/dbraw/zinc/89/57/68/487895768.db2.gz QXEDDRHJMAGDHR-DGCLKSJQSA-N 2 1 244.342 1.422 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccnn2CC)CC[C@@H]1[NH3+] ZINC000157093289 487903990 /nfs/dbraw/zinc/90/39/90/487903990.db2.gz PXUQDPHHRRMGBZ-YPMHNXCESA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccnn2CC)CC[C@@H]1[NH3+] ZINC000157093289 487903994 /nfs/dbraw/zinc/90/39/94/487903994.db2.gz PXUQDPHHRRMGBZ-YPMHNXCESA-N 2 1 236.363 1.462 20 0 BDADMP Cc1cccnc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000569452107 322966493 /nfs/dbraw/zinc/96/64/93/322966493.db2.gz ODEHAEILEZLPNL-STQMWFEESA-N 2 1 233.359 1.868 20 0 BDADMP COc1ccncc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000564471715 322970757 /nfs/dbraw/zinc/97/07/57/322970757.db2.gz ZIYRQHGMQRAMQM-NEPJUHHUSA-N 2 1 235.331 1.450 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449673721 323004864 /nfs/dbraw/zinc/00/48/64/323004864.db2.gz QAFCZSNJVSVCLP-UHFFFAOYSA-N 2 1 247.342 1.569 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H](C[NH3+])CC(C)C ZINC000562744387 323029795 /nfs/dbraw/zinc/02/97/95/323029795.db2.gz DJSQAKRDKCMZLR-QWRGUYRKSA-N 2 1 202.342 1.232 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCO)[C@@H](C)C1 ZINC000248745020 323032889 /nfs/dbraw/zinc/03/28/89/323032889.db2.gz NCFYUCDKFQUMNX-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000569918901 323044338 /nfs/dbraw/zinc/04/43/38/323044338.db2.gz VOSIGWKREYTUMV-MELADBBJSA-N 2 1 241.423 1.693 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000569918901 323044339 /nfs/dbraw/zinc/04/43/39/323044339.db2.gz VOSIGWKREYTUMV-MELADBBJSA-N 3 1 241.423 1.693 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000569918901 323044340 /nfs/dbraw/zinc/04/43/40/323044340.db2.gz VOSIGWKREYTUMV-MELADBBJSA-N 3 1 241.423 1.693 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000570044471 323048343 /nfs/dbraw/zinc/04/83/43/323048343.db2.gz MGKLODLNCVKBBB-HTQZYQBOSA-N 2 1 211.309 1.507 20 0 BDADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C1COC1 ZINC000570642943 323065897 /nfs/dbraw/zinc/06/58/97/323065897.db2.gz IAPCEXMODGLUQO-UHFFFAOYSA-N 2 1 237.347 1.462 20 0 BDADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C1COC1 ZINC000570642943 323065898 /nfs/dbraw/zinc/06/58/98/323065898.db2.gz IAPCEXMODGLUQO-UHFFFAOYSA-N 2 1 237.347 1.462 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccncc1 ZINC000401765514 323120053 /nfs/dbraw/zinc/12/00/53/323120053.db2.gz YCVSFUKVYONDDS-LLVKDONJSA-N 2 1 230.315 1.708 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cncnc1C ZINC000563417401 323123671 /nfs/dbraw/zinc/12/36/71/323123671.db2.gz MASGBHQFDIROHN-SNVBAGLBSA-N 2 1 245.330 1.641 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000310038609 323126956 /nfs/dbraw/zinc/12/69/56/323126956.db2.gz WGJDDBRAMBIJSW-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000310038609 323126957 /nfs/dbraw/zinc/12/69/57/323126957.db2.gz WGJDDBRAMBIJSW-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC000414870117 323151727 /nfs/dbraw/zinc/15/17/27/323151727.db2.gz RZLMJEQQGVATAN-YNEHKIRRSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CC2)CC[N@@H+]1C ZINC000306635150 323172883 /nfs/dbraw/zinc/17/28/83/323172883.db2.gz YLXNKDSAIURQTR-NXEZZACHSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CC2)CC[N@H+]1C ZINC000306635150 323172884 /nfs/dbraw/zinc/17/28/84/323172884.db2.gz YLXNKDSAIURQTR-NXEZZACHSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000396623817 323394069 /nfs/dbraw/zinc/39/40/69/323394069.db2.gz VTPQKXJLKTUOBF-MROQNXINSA-N 2 1 225.380 1.057 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000122317456 324040846 /nfs/dbraw/zinc/04/08/46/324040846.db2.gz ASHFCNFVAAOVJL-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000122317456 324040849 /nfs/dbraw/zinc/04/08/49/324040849.db2.gz ASHFCNFVAAOVJL-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000192779982 324199939 /nfs/dbraw/zinc/19/99/39/324199939.db2.gz DXMVTNVTNDFICB-ZDUSSCGKSA-N 2 1 241.423 1.743 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130126559 325014830 /nfs/dbraw/zinc/01/48/30/325014830.db2.gz VFEZPABTLHQQFR-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP FC1(C[NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000564305067 325293919 /nfs/dbraw/zinc/29/39/19/325293919.db2.gz SIHOBTKUSUKOEU-UHFFFAOYSA-N 2 1 237.322 1.653 20 0 BDADMP COCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860165 325317770 /nfs/dbraw/zinc/31/77/70/325317770.db2.gz VFKBRDPFNPTBIW-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP COCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860165 325317772 /nfs/dbraw/zinc/31/77/72/325317772.db2.gz VFKBRDPFNPTBIW-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP COCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860165 325317773 /nfs/dbraw/zinc/31/77/73/325317773.db2.gz VFKBRDPFNPTBIW-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP COCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860165 325317775 /nfs/dbraw/zinc/31/77/75/325317775.db2.gz VFKBRDPFNPTBIW-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1C ZINC000134027898 325338338 /nfs/dbraw/zinc/33/83/38/325338338.db2.gz LKAHILGNLWQVRO-OLZOCXBDSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000309456577 487970361 /nfs/dbraw/zinc/97/03/61/487970361.db2.gz NUUUMVKNFUZQQH-DGCLKSJQSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000309456577 487970362 /nfs/dbraw/zinc/97/03/62/487970362.db2.gz NUUUMVKNFUZQQH-DGCLKSJQSA-N 2 1 228.380 1.325 20 0 BDADMP CCn1ccnc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566855642 326088264 /nfs/dbraw/zinc/08/82/64/326088264.db2.gz KHVGFWCVWZNAGG-UHFFFAOYSA-N 2 1 244.342 1.652 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000567172549 326128960 /nfs/dbraw/zinc/12/89/60/326128960.db2.gz RZCIPNFPEZCLCR-CQSZACIVSA-N 2 1 236.359 1.397 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000567172549 326128961 /nfs/dbraw/zinc/12/89/61/326128961.db2.gz RZCIPNFPEZCLCR-CQSZACIVSA-N 2 1 236.359 1.397 20 0 BDADMP CCn1nccc1C[NH2+]CCC[NH+]1CCC1 ZINC000568236964 326331939 /nfs/dbraw/zinc/33/19/39/326331939.db2.gz ZUOMCHANVSUZTO-UHFFFAOYSA-N 2 1 222.336 1.088 20 0 BDADMP Cc1ncc(C[NH2+]C(C)(C)CN(C)C)n1C ZINC000568664485 326372004 /nfs/dbraw/zinc/37/20/04/326372004.db2.gz OKYNPDKDKNMVPE-UHFFFAOYSA-N 2 1 224.352 1.158 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)cc1F ZINC000569107744 326390773 /nfs/dbraw/zinc/39/07/73/326390773.db2.gz DHOGYGWTNYZQOS-SNVBAGLBSA-N 2 1 240.322 1.779 20 0 BDADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cn[nH]c2)CC1 ZINC000682782867 488040577 /nfs/dbraw/zinc/04/05/77/488040577.db2.gz ZQQCTYXGZIDXIF-UHFFFAOYSA-N 2 1 234.347 1.470 20 0 BDADMP COCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222026522 488048009 /nfs/dbraw/zinc/04/80/09/488048009.db2.gz RVWATYPRWVQBFE-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667648926 488071390 /nfs/dbraw/zinc/07/13/90/488071390.db2.gz DSUROMRABKFQQH-NWDGAFQWSA-N 2 1 249.358 1.565 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389109305 488077262 /nfs/dbraw/zinc/07/72/62/488077262.db2.gz ADROBZMBOJSZRE-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389109305 488077264 /nfs/dbraw/zinc/07/72/64/488077264.db2.gz ADROBZMBOJSZRE-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP COc1ccc(C)cc1C[N@H+](C)CCC[NH3+] ZINC000050702658 488078041 /nfs/dbraw/zinc/07/80/41/488078041.db2.gz GXPNFAOURHGZQX-UHFFFAOYSA-N 2 1 222.332 1.784 20 0 BDADMP COc1ccc(C)cc1C[N@@H+](C)CCC[NH3+] ZINC000050702658 488078045 /nfs/dbraw/zinc/07/80/45/488078045.db2.gz GXPNFAOURHGZQX-UHFFFAOYSA-N 2 1 222.332 1.784 20 0 BDADMP Cc1ncc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)n1C ZINC000667696511 488090661 /nfs/dbraw/zinc/09/06/61/488090661.db2.gz YPMMWFGRBIGJJH-DGCLKSJQSA-N 2 1 237.347 1.321 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667768837 488115115 /nfs/dbraw/zinc/11/51/15/488115115.db2.gz BJZWFEBZYIHVDV-CHWSQXEVSA-N 2 1 224.348 1.238 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000683145227 488119601 /nfs/dbraw/zinc/11/96/01/488119601.db2.gz VJEMVZTWPBIWSL-CYBMUJFWSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1nccn1CCC[N@H+](C)C(C)(C)CO ZINC000677817560 488131696 /nfs/dbraw/zinc/13/16/96/488131696.db2.gz NQPFVMHWRCDFGN-UHFFFAOYSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C(C)(C)CO ZINC000677817560 488131699 /nfs/dbraw/zinc/13/16/99/488131699.db2.gz NQPFVMHWRCDFGN-UHFFFAOYSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C(C)(C)CO ZINC000677817560 488131702 /nfs/dbraw/zinc/13/17/02/488131702.db2.gz NQPFVMHWRCDFGN-UHFFFAOYSA-N 2 1 225.336 1.284 20 0 BDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCOC1 ZINC000674302560 487554881 /nfs/dbraw/zinc/55/48/81/487554881.db2.gz ODKFQALZJDVPKP-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCOC1 ZINC000674302560 487554883 /nfs/dbraw/zinc/55/48/83/487554883.db2.gz ODKFQALZJDVPKP-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000674302560 487554885 /nfs/dbraw/zinc/55/48/85/487554885.db2.gz ODKFQALZJDVPKP-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000674302560 487554886 /nfs/dbraw/zinc/55/48/86/487554886.db2.gz ODKFQALZJDVPKP-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H]([NH3+])C1)C1CCC1 ZINC000662236530 487470687 /nfs/dbraw/zinc/47/06/87/487470687.db2.gz ZRXIFRAHABKEQC-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662236612 487470730 /nfs/dbraw/zinc/47/07/30/487470730.db2.gz FYSLKODCUGLFAO-QWRGUYRKSA-N 2 1 248.317 1.342 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662236612 487470733 /nfs/dbraw/zinc/47/07/33/487470733.db2.gz FYSLKODCUGLFAO-QWRGUYRKSA-N 2 1 248.317 1.342 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2coc(C)n2)CC1 ZINC000393913453 487474922 /nfs/dbraw/zinc/47/49/22/487474922.db2.gz WYSONCAKTHUYPZ-UHFFFAOYSA-N 2 1 223.320 1.414 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000381079296 487494376 /nfs/dbraw/zinc/49/43/76/487494376.db2.gz QYDZFXGRVQLZRZ-QWHCGFSZSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000381079296 487494377 /nfs/dbraw/zinc/49/43/77/487494377.db2.gz QYDZFXGRVQLZRZ-QWHCGFSZSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000381079296 487494378 /nfs/dbraw/zinc/49/43/78/487494378.db2.gz QYDZFXGRVQLZRZ-QWHCGFSZSA-N 2 1 228.380 1.562 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000231984938 487495402 /nfs/dbraw/zinc/49/54/02/487495402.db2.gz QBMLMAVTNUHXOK-JQWIXIFHSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](CCCO)C1CC1 ZINC000677817192 487506645 /nfs/dbraw/zinc/50/66/45/487506645.db2.gz IMBHKRBNUKTVOO-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](CCCO)C1CC1 ZINC000677817192 487506649 /nfs/dbraw/zinc/50/66/49/487506649.db2.gz IMBHKRBNUKTVOO-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000308804699 487512153 /nfs/dbraw/zinc/51/21/53/487512153.db2.gz FTFVWUIAWPVQBD-YVECIDJPSA-N 2 1 210.365 1.996 20 0 BDADMP c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000094077330 487513473 /nfs/dbraw/zinc/51/34/73/487513473.db2.gz RMDUHARHQJKZOQ-CYBMUJFWSA-N 2 1 246.358 1.002 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CCC1 ZINC000662271757 487519092 /nfs/dbraw/zinc/51/90/92/487519092.db2.gz ISJAJKYTCUGDNY-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662274180 487522682 /nfs/dbraw/zinc/52/26/82/487522682.db2.gz RQYZEJXCFPYXGW-RKQHYHRCSA-N 2 1 220.360 1.716 20 0 BDADMP CO[C@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274607 487522720 /nfs/dbraw/zinc/52/27/20/487522720.db2.gz XULCCBXOFJYBSI-UONOGXRCSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274607 487522723 /nfs/dbraw/zinc/52/27/23/487522723.db2.gz XULCCBXOFJYBSI-UONOGXRCSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000379855767 488154929 /nfs/dbraw/zinc/15/49/29/488154929.db2.gz BZDFGLUQKGDQFI-RYUDHWBXSA-N 2 1 216.369 1.418 20 0 BDADMP CC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000379855767 488154933 /nfs/dbraw/zinc/15/49/33/488154933.db2.gz BZDFGLUQKGDQFI-RYUDHWBXSA-N 2 1 216.369 1.418 20 0 BDADMP CC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000379855767 488154936 /nfs/dbraw/zinc/15/49/36/488154936.db2.gz BZDFGLUQKGDQFI-RYUDHWBXSA-N 2 1 216.369 1.418 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000321909997 488160833 /nfs/dbraw/zinc/16/08/33/488160833.db2.gz PIEUEAFCFHKPSG-VOAKCMCISA-N 2 1 210.365 1.962 20 0 BDADMP Cc1[nH+]cc(CN2CCC[C@H]([NH+](C)C)C2)n1C ZINC000667584890 488052825 /nfs/dbraw/zinc/05/28/25/488052825.db2.gz JTZBTJNAJSYPOC-LBPRGKRZSA-N 2 1 236.363 1.255 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000230745764 488150467 /nfs/dbraw/zinc/15/04/67/488150467.db2.gz MFQBZAQSIBGTQS-STQMWFEESA-N 2 1 236.363 1.022 20 0 BDADMP Cn1nccc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000230774441 488156538 /nfs/dbraw/zinc/15/65/38/488156538.db2.gz DZFIMGMBPXQBMA-ONXXMXGDSA-N 2 1 248.374 1.177 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC1 ZINC000379951747 488163875 /nfs/dbraw/zinc/16/38/75/488163875.db2.gz FJXPIBRDKFCNME-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC1 ZINC000379951747 488163877 /nfs/dbraw/zinc/16/38/77/488163877.db2.gz FJXPIBRDKFCNME-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCC1 ZINC000379951747 488163881 /nfs/dbraw/zinc/16/38/81/488163881.db2.gz FJXPIBRDKFCNME-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000390596161 488167657 /nfs/dbraw/zinc/16/76/57/488167657.db2.gz ULUXJUNWOQQHIN-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000390596161 488167660 /nfs/dbraw/zinc/16/76/60/488167660.db2.gz ULUXJUNWOQQHIN-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000390596161 488167662 /nfs/dbraw/zinc/16/76/62/488167662.db2.gz ULUXJUNWOQQHIN-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000390596161 488167665 /nfs/dbraw/zinc/16/76/65/488167665.db2.gz ULUXJUNWOQQHIN-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](C)CO)CC1 ZINC000678045528 488174630 /nfs/dbraw/zinc/17/46/30/488174630.db2.gz MXJYAOXXYZIQBO-CYBMUJFWSA-N 2 1 242.407 1.667 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678073007 488190826 /nfs/dbraw/zinc/19/08/26/488190826.db2.gz HSNQEFWAMVTGLZ-KBPBESRZSA-N 3 1 248.374 1.123 20 0 BDADMP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1C ZINC000683700125 488210069 /nfs/dbraw/zinc/21/00/69/488210069.db2.gz LAWNZPMPHLVVBU-KBPBESRZSA-N 2 1 246.354 1.655 20 0 BDADMP C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000398671442 488221422 /nfs/dbraw/zinc/22/14/22/488221422.db2.gz SJDDHUPAUGBHOP-AWEZNQCLSA-N 2 1 237.391 1.156 20 0 BDADMP F[C@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000668213927 488227837 /nfs/dbraw/zinc/22/78/37/488227837.db2.gz PWVNFIIEDPXUIB-NSHDSACASA-N 2 1 246.289 1.811 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn[nH]c2)[C@H](C)C1 ZINC000678277345 488235346 /nfs/dbraw/zinc/23/53/46/488235346.db2.gz ISXGJULTYVGMTC-DGCLKSJQSA-N 2 1 236.363 1.572 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679334035 488341415 /nfs/dbraw/zinc/34/14/15/488341415.db2.gz FKXUSOXDXXGLEL-DRZSPHRISA-N 2 1 248.374 1.996 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679334035 488341416 /nfs/dbraw/zinc/34/14/16/488341416.db2.gz FKXUSOXDXXGLEL-DRZSPHRISA-N 2 1 248.374 1.996 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000679359889 488345630 /nfs/dbraw/zinc/34/56/30/488345630.db2.gz RQBPPSMWWMWZRO-SNVBAGLBSA-N 2 1 234.347 1.631 20 0 BDADMP C[C@H]1C[C@@H](NCC(C)(C)[NH+](C)C)CC[N@H+]1C ZINC000129581855 490153445 /nfs/dbraw/zinc/15/34/45/490153445.db2.gz OHFDPZZSPDUQRH-RYUDHWBXSA-N 2 1 227.396 1.399 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000070326490 490206890 /nfs/dbraw/zinc/20/68/90/490206890.db2.gz QLNCLPXQOMMNJI-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]CCC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000415121859 490214718 /nfs/dbraw/zinc/21/47/18/490214718.db2.gz KYLFOKRPWZSZRP-OLZOCXBDSA-N 2 1 220.316 1.143 20 0 BDADMP CCCn1cc(C[N@H+](C)CC2CN(C)C2)cn1 ZINC000668540143 490357868 /nfs/dbraw/zinc/35/78/68/490357868.db2.gz XTQZQFTVEKTPFA-UHFFFAOYSA-N 2 1 236.363 1.287 20 0 BDADMP CCCn1cc(C[N@@H+](C)CC2CN(C)C2)cn1 ZINC000668540143 490357871 /nfs/dbraw/zinc/35/78/71/490357871.db2.gz XTQZQFTVEKTPFA-UHFFFAOYSA-N 2 1 236.363 1.287 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CO)[C@@H](C)C1 ZINC000222333115 490631428 /nfs/dbraw/zinc/63/14/28/490631428.db2.gz IWTSZTYEOWJOQJ-RYUDHWBXSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H](CO)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000131628223 490649025 /nfs/dbraw/zinc/64/90/25/490649025.db2.gz PYGPKADGAJTUEC-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](CCN(C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400943902 491069124 /nfs/dbraw/zinc/06/91/24/491069124.db2.gz CDJMHCZHXONSJC-ZOBORPQBSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000223198767 491112940 /nfs/dbraw/zinc/11/29/40/491112940.db2.gz YYFYXFAXAUQNSB-SRVKXCTJSA-N 2 1 213.369 1.009 20 0 BDADMP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000090320359 491124431 /nfs/dbraw/zinc/12/44/31/491124431.db2.gz ZKCXHTNQIKPOCK-ZIAGYGMSSA-N 2 1 246.354 1.655 20 0 BDADMP Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000085281995 491126810 /nfs/dbraw/zinc/12/68/10/491126810.db2.gz MHHDULVKPZNWNW-TXEJJXNPSA-N 2 1 218.300 1.043 20 0 BDADMP Oc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000085281995 491126811 /nfs/dbraw/zinc/12/68/11/491126811.db2.gz MHHDULVKPZNWNW-TXEJJXNPSA-N 2 1 218.300 1.043 20 0 BDADMP CN1CC(C[N@@H+](C)Cc2cc3cccnc3o2)C1 ZINC000668538500 491127244 /nfs/dbraw/zinc/12/72/44/491127244.db2.gz AWDYEIKDROQLGU-UHFFFAOYSA-N 2 1 245.326 1.821 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000400613431 491132927 /nfs/dbraw/zinc/13/29/27/491132927.db2.gz XFTBOVRZIUZWSU-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400426235 533873319 /nfs/dbraw/zinc/87/33/19/533873319.db2.gz YTPLYDCRPYOTPA-GXTWGEPZSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@H]([NH2+]CCc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000400371951 533875629 /nfs/dbraw/zinc/87/56/29/533875629.db2.gz HFYZPEGWQUQOJE-AAEUAGOBSA-N 2 1 219.332 1.354 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249328026 535541347 /nfs/dbraw/zinc/54/13/47/535541347.db2.gz VBIBSXCZFKRXFQ-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP CCOC(=O)CC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348064837 535643093 /nfs/dbraw/zinc/64/30/93/535643093.db2.gz ASHCASCAFZPPFE-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CCOC(=O)CC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348064837 535643094 /nfs/dbraw/zinc/64/30/94/535643094.db2.gz ASHCASCAFZPPFE-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CCOC(=O)CC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348064837 535643097 /nfs/dbraw/zinc/64/30/97/535643097.db2.gz ASHCASCAFZPPFE-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CCc1cnc(C[NH2+]C[C@@H](C)C[NH3+])s1 ZINC000234148084 536050661 /nfs/dbraw/zinc/05/06/61/536050661.db2.gz RJJZNDQKIRQWIR-QMMMGPOBSA-N 2 1 213.350 1.390 20 0 BDADMP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000507565941 534265801 /nfs/dbraw/zinc/26/58/01/534265801.db2.gz KHDULQGQHVYVIP-NSHDSACASA-N 2 1 236.363 1.035 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)s1 ZINC000400068844 534734462 /nfs/dbraw/zinc/73/44/62/534734462.db2.gz SVGUYGMCDXEEBX-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000183686195 536389974 /nfs/dbraw/zinc/38/99/74/536389974.db2.gz CIBRJPTYKNOBCG-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCF)C2)C1 ZINC000336114063 536395547 /nfs/dbraw/zinc/39/55/47/536395547.db2.gz WKEINSACNGQIRZ-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC000336114063 536395550 /nfs/dbraw/zinc/39/55/50/536395550.db2.gz WKEINSACNGQIRZ-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC000336114063 536395551 /nfs/dbraw/zinc/39/55/51/536395551.db2.gz WKEINSACNGQIRZ-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)COC(C)=O)CC1 ZINC000892432538 582886401 /nfs/dbraw/zinc/88/64/01/582886401.db2.gz QETQHBRZUQJVBK-SNVBAGLBSA-N 2 1 228.336 1.012 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)OC)CC1 ZINC000173214545 528193650 /nfs/dbraw/zinc/19/36/50/528193650.db2.gz QJLNIGOBBRMOTH-UHFFFAOYSA-N 2 1 242.363 1.356 20 0 BDADMP CCCCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400556726 528610401 /nfs/dbraw/zinc/61/04/01/528610401.db2.gz ZITQUOATPPWHIB-NWDGAFQWSA-N 2 1 214.353 1.533 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000309026222 528832883 /nfs/dbraw/zinc/83/28/83/528832883.db2.gz YCASTPRJOGUEPJ-RYUDHWBXSA-N 3 1 215.385 1.432 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000309026222 528832887 /nfs/dbraw/zinc/83/28/87/528832887.db2.gz YCASTPRJOGUEPJ-RYUDHWBXSA-N 3 1 215.385 1.432 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400358287 528975401 /nfs/dbraw/zinc/97/54/01/528975401.db2.gz CAGNPFVPABBEOG-QWRGUYRKSA-N 2 1 214.353 1.268 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400757576 529082375 /nfs/dbraw/zinc/08/23/75/529082375.db2.gz XLQNYODLPBOUSB-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)(CCc1ccccc1)[NH2+]CC[NH3+] ZINC000261536783 535056179 /nfs/dbraw/zinc/05/61/79/535056179.db2.gz SXKIERPDSDFHHV-UHFFFAOYSA-N 2 1 206.333 1.946 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562889 535176526 /nfs/dbraw/zinc/17/65/26/535176526.db2.gz BRVOHKKFARMCFP-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562889 535176528 /nfs/dbraw/zinc/17/65/28/535176528.db2.gz BRVOHKKFARMCFP-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[C@@H](C[NH2+]CC1(C)COC1)[NH+]1CCCC1 ZINC000227519072 535191925 /nfs/dbraw/zinc/19/19/25/535191925.db2.gz MFCZXQPUYGRWNN-CYBMUJFWSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336054872 535260602 /nfs/dbraw/zinc/26/06/02/535260602.db2.gz PCCNXHNVAAFOSY-KBPBESRZSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000336054872 535260606 /nfs/dbraw/zinc/26/06/06/535260606.db2.gz PCCNXHNVAAFOSY-KBPBESRZSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000336054872 535260611 /nfs/dbraw/zinc/26/06/11/535260611.db2.gz PCCNXHNVAAFOSY-KBPBESRZSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@@H]1CCCCO1 ZINC000261589979 535308108 /nfs/dbraw/zinc/30/81/08/535308108.db2.gz UGRNAPKRGBBUTB-QWHCGFSZSA-N 2 1 228.380 1.909 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCC(C)(C)O)CC1 ZINC000081676043 535457321 /nfs/dbraw/zinc/45/73/21/535457321.db2.gz HDOKOSZWOCOGCZ-UHFFFAOYSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCC(C)(C)O)CC1 ZINC000081676043 535457323 /nfs/dbraw/zinc/45/73/23/535457323.db2.gz HDOKOSZWOCOGCZ-UHFFFAOYSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000252714832 535590177 /nfs/dbraw/zinc/59/01/77/535590177.db2.gz TVKWIFDEXQEYBY-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+]1C[C@H](NCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000347722932 535783863 /nfs/dbraw/zinc/78/38/63/535783863.db2.gz PFKMYEXIDJLBPK-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249309646 535847303 /nfs/dbraw/zinc/84/73/03/535847303.db2.gz DNJLPYQXCCNXQR-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000252791625 536056825 /nfs/dbraw/zinc/05/68/25/536056825.db2.gz UEPNPCWFJMTQJU-JQWIXIFHSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000252791625 536056826 /nfs/dbraw/zinc/05/68/26/536056826.db2.gz UEPNPCWFJMTQJU-JQWIXIFHSA-N 2 1 222.336 1.072 20 0 BDADMP CCc1nc(N2CC[C@H]([NH3+])[C@@H](C)C2)cc(C)[nH+]1 ZINC000261549568 536125094 /nfs/dbraw/zinc/12/50/94/536125094.db2.gz KQGSVTODLMNYJI-ONGXEEELSA-N 2 1 234.347 1.521 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000334359690 536344736 /nfs/dbraw/zinc/34/47/36/536344736.db2.gz WXDWZZIQYOKHCF-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000170804279 536346539 /nfs/dbraw/zinc/34/65/39/536346539.db2.gz DNTKAZIJLQPCME-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCO1 ZINC000170804279 536346545 /nfs/dbraw/zinc/34/65/45/536346545.db2.gz DNTKAZIJLQPCME-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000261560356 536459061 /nfs/dbraw/zinc/45/90/61/536459061.db2.gz ZTXJAWRMZOJHIU-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@@H]1CCOC1 ZINC000261560356 536459063 /nfs/dbraw/zinc/45/90/63/536459063.db2.gz ZTXJAWRMZOJHIU-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@H]1CCCN(c2cc(C)cc[nH+]2)C1 ZINC000043561772 536465355 /nfs/dbraw/zinc/46/53/55/536465355.db2.gz AMGSQDICKGHWCT-GFCCVEGCSA-N 2 1 219.332 1.826 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1C ZINC000261533372 536730608 /nfs/dbraw/zinc/73/06/08/536730608.db2.gz HJTMBTJTXOFESQ-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261543473 536828209 /nfs/dbraw/zinc/82/82/09/536828209.db2.gz SUTCLAISVNXZNU-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222978195 536878634 /nfs/dbraw/zinc/87/86/34/536878634.db2.gz FKIYHWQJFINXCH-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP COCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169230914 536893929 /nfs/dbraw/zinc/89/39/29/536893929.db2.gz KBXXEVBYBQHJKW-NWDGAFQWSA-N 2 1 206.289 1.367 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000892624476 582932672 /nfs/dbraw/zinc/93/26/72/582932672.db2.gz UVWWNXLUHAOAMT-SNVBAGLBSA-N 2 1 239.319 1.123 20 0 BDADMP CC[NH+](CC)CCC[NH+]1CCC2(CCO2)CC1 ZINC000374376759 566289585 /nfs/dbraw/zinc/28/95/85/566289585.db2.gz GJYAEQFDQOKGPK-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC000853096785 588719565 /nfs/dbraw/zinc/71/95/65/588719565.db2.gz MBPZPNWEIDPUKC-CQSZACIVSA-N 2 1 249.358 1.189 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229194 588780894 /nfs/dbraw/zinc/78/08/94/588780894.db2.gz HWPZYAMKABKDCO-YTWAJWBKSA-N 2 1 246.301 1.270 20 0 BDADMP CC[C@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891716123 582713281 /nfs/dbraw/zinc/71/32/81/582713281.db2.gz LXYQTWQTQOBNCQ-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000892000458 582758227 /nfs/dbraw/zinc/75/82/27/582758227.db2.gz QLFCIASMOWPKFV-VIFPVBQESA-N 2 1 233.319 1.016 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000892000458 582758230 /nfs/dbraw/zinc/75/82/30/582758230.db2.gz QLFCIASMOWPKFV-VIFPVBQESA-N 2 1 233.319 1.016 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000892106098 582792774 /nfs/dbraw/zinc/79/27/74/582792774.db2.gz UERFTPMHVMVODW-CQSZACIVSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])N2CCCCC2)C1 ZINC000849004157 582821887 /nfs/dbraw/zinc/82/18/87/582821887.db2.gz CVPHRWAGZIJUDU-GFCCVEGCSA-N 2 1 238.379 1.338 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNc1cc[nH+]cc1CO ZINC000892460678 582892965 /nfs/dbraw/zinc/89/29/65/582892965.db2.gz RXTIFDAHEPHNNY-ZDUSSCGKSA-N 2 1 249.358 1.282 20 0 BDADMP C[C@H](CO)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394451937 582976964 /nfs/dbraw/zinc/97/69/64/582976964.db2.gz TWXGURFINFIGOA-ACJTYDJDSA-N 2 1 226.364 1.172 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC000878166776 583364354 /nfs/dbraw/zinc/36/43/54/583364354.db2.gz FNJGCUFGWSWBPQ-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]C1CSC1 ZINC000389838633 583403548 /nfs/dbraw/zinc/40/35/48/583403548.db2.gz GXFOJCUEBQDGDY-UHFFFAOYSA-N 2 1 225.361 1.677 20 0 BDADMP CCOC(=O)C1(C[NH2+]Cc2c[nH]cn2)CCC1 ZINC000894443484 583460283 /nfs/dbraw/zinc/46/02/83/583460283.db2.gz CVQRAWHVJOEDPO-UHFFFAOYSA-N 2 1 237.303 1.233 20 0 BDADMP Cc1ncoc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000894984874 583564289 /nfs/dbraw/zinc/56/42/89/583564289.db2.gz MPLMURAMQCEJEK-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP CCC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CC[NH2+]1 ZINC000895059738 583576132 /nfs/dbraw/zinc/57/61/32/583576132.db2.gz WQSZPCGLNBXGHT-LBPRGKRZSA-N 2 1 234.347 1.672 20 0 BDADMP C[C@@H]1C[C@H](NCc2cccnc2F)CC[N@H+]1C ZINC000794836543 583622464 /nfs/dbraw/zinc/62/24/64/583622464.db2.gz QSSAUZIFGSMYNP-ZYHUDNBSSA-N 2 1 237.322 1.793 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000895301118 583642522 /nfs/dbraw/zinc/64/25/22/583642522.db2.gz ZKFWWMIWIILHGV-SRVKXCTJSA-N 2 1 225.336 1.224 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000895301118 583642524 /nfs/dbraw/zinc/64/25/24/583642524.db2.gz ZKFWWMIWIILHGV-SRVKXCTJSA-N 2 1 225.336 1.224 20 0 BDADMP C[C@H]1[C@@H](Nc2cc(N)[nH+]cc2Cl)CC[N@H+]1C ZINC000895735480 583717498 /nfs/dbraw/zinc/71/74/98/583717498.db2.gz VHRJMETYYLUMRM-CBAPKCEASA-N 2 1 240.738 1.822 20 0 BDADMP CN1CC[C@H]1CNc1cc(NCC2CC2)ncn1 ZINC000895771528 583725284 /nfs/dbraw/zinc/72/52/84/583725284.db2.gz MZYCNGWBGUJLFY-NSHDSACASA-N 2 1 247.346 1.415 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CSC[C@@H]1C)C[NH+](C)C ZINC000896879915 583844835 /nfs/dbraw/zinc/84/48/35/583844835.db2.gz IRSKOUPCSGLAOK-TUAOUCFPSA-N 2 1 246.420 1.294 20 0 BDADMP Cc1cc(N)nc(NCC[N@@H+]2CCC(C)(C)C2)[nH+]1 ZINC000897248407 583902841 /nfs/dbraw/zinc/90/28/41/583902841.db2.gz POAQNTRJBPBCPZ-UHFFFAOYSA-N 2 1 249.362 1.511 20 0 BDADMP Cc1cc(N)nc(NCC[N@H+]2CCC(C)(C)C2)[nH+]1 ZINC000897248407 583902844 /nfs/dbraw/zinc/90/28/44/583902844.db2.gz POAQNTRJBPBCPZ-UHFFFAOYSA-N 2 1 249.362 1.511 20 0 BDADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858402928 588951368 /nfs/dbraw/zinc/95/13/68/588951368.db2.gz OEXUXYVDRPDBAI-LLVKDONJSA-N 2 1 235.331 1.328 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)CC1 ZINC000897955324 584065174 /nfs/dbraw/zinc/06/51/74/584065174.db2.gz SIEDTRTYKMDJTE-CYZMBNFOSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)CC[N@@H+]1C ZINC000898380766 584115011 /nfs/dbraw/zinc/11/50/11/584115011.db2.gz VBGBFXWMKBTYIC-FMKGYKFTSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)CC[N@H+]1C ZINC000898380766 584115012 /nfs/dbraw/zinc/11/50/12/584115012.db2.gz VBGBFXWMKBTYIC-FMKGYKFTSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)[C@H]1CCC[NH2+]1 ZINC000873281526 584128888 /nfs/dbraw/zinc/12/88/88/584128888.db2.gz KTUHKJSWYGCKMJ-MEBFFEOJSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000873282966 584129010 /nfs/dbraw/zinc/12/90/10/584129010.db2.gz XTGNDZYTPBMHNP-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317421 584556855 /nfs/dbraw/zinc/55/68/55/584556855.db2.gz KBUYTORIAKNWHJ-GFCCVEGCSA-N 3 1 227.396 1.306 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ncn1 ZINC000902371264 584566191 /nfs/dbraw/zinc/56/61/91/584566191.db2.gz OGYFHKUIMPLGII-LBPRGKRZSA-N 2 1 248.374 1.653 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)C1 ZINC000902394330 584584908 /nfs/dbraw/zinc/58/49/08/584584908.db2.gz VDTRDNQLEWORBE-SRVKXCTJSA-N 2 1 243.370 1.054 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902395127 584585013 /nfs/dbraw/zinc/58/50/13/584585013.db2.gz ZNYMLIHQZSLLMS-UPJWGTAASA-N 3 1 239.407 1.352 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401001 584587590 /nfs/dbraw/zinc/58/75/90/584587590.db2.gz ZCVVUCGVUOGTQZ-QWHCGFSZSA-N 3 1 241.423 1.728 20 0 BDADMP C[C@@H](CCCc1cccnc1)[NH2+]CC1([NH3+])CC1 ZINC000902403642 584587931 /nfs/dbraw/zinc/58/79/31/584587931.db2.gz AINJLBVDYPFNMP-LBPRGKRZSA-N 2 1 233.359 1.874 20 0 BDADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902417520 584591400 /nfs/dbraw/zinc/59/14/00/584591400.db2.gz RXLZIWJTEMKOLS-JTQLQIEISA-N 2 1 222.307 1.838 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902432697 584595293 /nfs/dbraw/zinc/59/52/93/584595293.db2.gz WKEKTBOPPRTRFO-RWMBFGLXSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccc1N(C)C ZINC000902414273 584599537 /nfs/dbraw/zinc/59/95/37/584599537.db2.gz VDNALXQXNFAQRG-LLVKDONJSA-N 2 1 233.359 1.895 20 0 BDADMP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000902476026 584602828 /nfs/dbraw/zinc/60/28/28/584602828.db2.gz MABNLOVVBSOPDN-CHWFTXMASA-N 2 1 212.362 1.365 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902476264 584602912 /nfs/dbraw/zinc/60/29/12/584602912.db2.gz OJDNFQDPVKPDCE-FVCCEPFGSA-N 2 1 226.364 1.530 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000902447595 584605180 /nfs/dbraw/zinc/60/51/80/584605180.db2.gz ZZPOEGGFWCIORF-RYUDHWBXSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC2(C)C)C[N@H+]1C1CC1 ZINC000902448952 584605347 /nfs/dbraw/zinc/60/53/47/584605347.db2.gz KBLOOKQGZPZWDJ-MDZLAQPJSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H](N[C@H]1C[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000902449078 584605358 /nfs/dbraw/zinc/60/53/58/584605358.db2.gz LUZDHJHXEXDGDO-AAEUAGOBSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CCC(C)(C)C1 ZINC000902455123 584609813 /nfs/dbraw/zinc/60/98/13/584609813.db2.gz JDVWRVXEMIYSNY-NWDGAFQWSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCC(C)(C)C1 ZINC000902455123 584609816 /nfs/dbraw/zinc/60/98/16/584609816.db2.gz JDVWRVXEMIYSNY-NWDGAFQWSA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H](C)C1 ZINC000902466569 584614284 /nfs/dbraw/zinc/61/42/84/584614284.db2.gz LZPMZDLMKOMZNI-ODXJTPSBSA-N 2 1 237.391 1.199 20 0 BDADMP Nc1nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000902503503 584620623 /nfs/dbraw/zinc/62/06/23/584620623.db2.gz YFNWSBFQWNUHNZ-SFYZADRCSA-N 2 1 226.349 1.085 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481229 584623127 /nfs/dbraw/zinc/62/31/27/584623127.db2.gz BSLYEXUGNYJZGO-VXGBXAGGSA-N 2 1 214.353 1.533 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000902482979 584624300 /nfs/dbraw/zinc/62/43/00/584624300.db2.gz OHYMQLZCYSYTDU-CHWSQXEVSA-N 2 1 228.380 1.779 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000902487734 584626448 /nfs/dbraw/zinc/62/64/48/584626448.db2.gz LXASAWKBOPQVPJ-LPWJVIDDSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000902487734 584626451 /nfs/dbraw/zinc/62/64/51/584626451.db2.gz LXASAWKBOPQVPJ-LPWJVIDDSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000902517110 584630077 /nfs/dbraw/zinc/63/00/77/584630077.db2.gz HDTJPVAZAXGNFE-DEQVHRJGSA-N 2 1 238.375 1.532 20 0 BDADMP C1CC1[C@H]1COC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000902517152 584630168 /nfs/dbraw/zinc/63/01/68/584630168.db2.gz HPWGTSQNANDAEA-UPJWGTAASA-N 2 1 236.359 1.286 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000903441342 584763782 /nfs/dbraw/zinc/76/37/82/584763782.db2.gz OCZBXJKOFAGDHB-YIYPIFLZSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000903441342 584763784 /nfs/dbraw/zinc/76/37/84/584763784.db2.gz OCZBXJKOFAGDHB-YIYPIFLZSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cncc(F)c1 ZINC000903458633 584764961 /nfs/dbraw/zinc/76/49/61/584764961.db2.gz FWQACALXJPXLLC-SCVCMEIPSA-N 2 1 237.322 1.727 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000903425046 584765257 /nfs/dbraw/zinc/76/52/57/584765257.db2.gz POVRVTSDEIYSEQ-IALDZJHCSA-N 3 1 225.380 1.044 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903458837 584766103 /nfs/dbraw/zinc/76/61/03/584766103.db2.gz LIJZXANOKKIXBT-RNJOBUHISA-N 3 1 225.380 1.031 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000903460875 584766489 /nfs/dbraw/zinc/76/64/89/584766489.db2.gz KOHQRMPUVBYCRL-YUELXQCFSA-N 2 1 245.370 1.726 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000903460874 584766876 /nfs/dbraw/zinc/76/68/76/584766876.db2.gz KOHQRMPUVBYCRL-SNPRPXQTSA-N 2 1 245.370 1.726 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464270 584767298 /nfs/dbraw/zinc/76/72/98/584767298.db2.gz FWXOUTBNDCOUHH-AGIUHOORSA-N 2 1 225.380 1.044 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903445068 584769261 /nfs/dbraw/zinc/76/92/61/584769261.db2.gz XRTTYKMIAIRAFR-MGPQQGTHSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903445982 584770402 /nfs/dbraw/zinc/77/04/02/584770402.db2.gz QDHILHFFOYIXGR-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000903447274 584770691 /nfs/dbraw/zinc/77/06/91/584770691.db2.gz MERICQXYBQHYQM-RYMFRWLXSA-N 3 1 237.391 1.173 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(C)C ZINC000903454629 584773455 /nfs/dbraw/zinc/77/34/55/584773455.db2.gz GJFOYKUIKFDXMI-ZOBORPQBSA-N 2 1 242.407 1.881 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000903455278 584773823 /nfs/dbraw/zinc/77/38/23/584773823.db2.gz SHSPISQULRSGFG-RDBSUJKOSA-N 2 1 245.370 1.726 20 0 BDADMP C(CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903470277 584775013 /nfs/dbraw/zinc/77/50/13/584775013.db2.gz JODDAMCSWDAFAW-CYBMUJFWSA-N 2 1 237.391 1.250 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000903474239 584776676 /nfs/dbraw/zinc/77/66/76/584776676.db2.gz JWIKPPYBLFXQTA-YPMHNXCESA-N 2 1 246.354 1.606 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2c(O)cccc2C1 ZINC000903474239 584776677 /nfs/dbraw/zinc/77/66/77/584776677.db2.gz JWIKPPYBLFXQTA-YPMHNXCESA-N 2 1 246.354 1.606 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(C)nn1 ZINC000903482846 584778798 /nfs/dbraw/zinc/77/87/98/584778798.db2.gz VONUMFCXRNFJJI-NWDGAFQWSA-N 2 1 234.347 1.309 20 0 BDADMP C(C[C@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000903483052 584779044 /nfs/dbraw/zinc/77/90/44/584779044.db2.gz BYOVMUOYABBPAL-CHWSQXEVSA-N 2 1 237.391 1.250 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000903481911 584779068 /nfs/dbraw/zinc/77/90/68/584779068.db2.gz QBCYSFAEBUYJEM-IGQOVBAYSA-N 2 1 238.375 1.615 20 0 BDADMP OC[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903490984 584780798 /nfs/dbraw/zinc/78/07/98/584780798.db2.gz PSIGTKKJJFQDGE-CQSZACIVSA-N 2 1 246.354 1.289 20 0 BDADMP CC1(C)C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1N ZINC000903557052 584782715 /nfs/dbraw/zinc/78/27/15/584782715.db2.gz LIQIWYDYYQYZQQ-ZDUSSCGKSA-N 3 1 239.407 1.435 20 0 BDADMP CC1(C)C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1N ZINC000903557052 584782716 /nfs/dbraw/zinc/78/27/16/584782716.db2.gz LIQIWYDYYQYZQQ-ZDUSSCGKSA-N 3 1 239.407 1.435 20 0 BDADMP CC1(C)C[N@@H+](CCCCCCC[NH3+])C[C@H]1N ZINC000903558883 584782757 /nfs/dbraw/zinc/78/27/57/584782757.db2.gz SIFYUUAGYFDJRH-GFCCVEGCSA-N 3 1 227.396 1.565 20 0 BDADMP CC1(C)CN(CCCCCCC[NH3+])C[C@H]1[NH3+] ZINC000903558883 584782758 /nfs/dbraw/zinc/78/27/58/584782758.db2.gz SIFYUUAGYFDJRH-GFCCVEGCSA-N 3 1 227.396 1.565 20 0 BDADMP CC1(C)C[N@H+](CCCCCCC[NH3+])C[C@H]1[NH3+] ZINC000903558883 584782759 /nfs/dbraw/zinc/78/27/59/584782759.db2.gz SIFYUUAGYFDJRH-GFCCVEGCSA-N 3 1 227.396 1.565 20 0 BDADMP CC1(C)C[N@@H+](CCCCCCC[NH3+])C[C@H]1[NH3+] ZINC000903558883 584782760 /nfs/dbraw/zinc/78/27/60/584782760.db2.gz SIFYUUAGYFDJRH-GFCCVEGCSA-N 3 1 227.396 1.565 20 0 BDADMP C[C@H]1C[N@H+](Cc2cnn(CCF)c2)CC[C@H]1[NH3+] ZINC000903716730 584791892 /nfs/dbraw/zinc/79/18/92/584791892.db2.gz QXYKZFDTJGDYMX-CMPLNLGQSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnn(CCF)c2)CC[C@H]1[NH3+] ZINC000903716730 584791893 /nfs/dbraw/zinc/79/18/93/584791893.db2.gz QXYKZFDTJGDYMX-CMPLNLGQSA-N 2 1 240.326 1.022 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903717953 584792119 /nfs/dbraw/zinc/79/21/19/584792119.db2.gz GKDUGBOBMJOXBM-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903717160 584792582 /nfs/dbraw/zinc/79/25/82/584792582.db2.gz IDEPSATZMCOYEG-ZIAGYGMSSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903717160 584792584 /nfs/dbraw/zinc/79/25/84/584792584.db2.gz IDEPSATZMCOYEG-ZIAGYGMSSA-N 3 1 241.423 1.681 20 0 BDADMP CC1(C)CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903730836 584793257 /nfs/dbraw/zinc/79/32/57/584793257.db2.gz ZXGZBPFEPUEUPH-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1cnc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000903748952 584794894 /nfs/dbraw/zinc/79/48/94/584794894.db2.gz DZYJPDAMGAHJKB-UHFFFAOYSA-N 2 1 246.358 1.361 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903735141 584796230 /nfs/dbraw/zinc/79/62/30/584796230.db2.gz YBPOVFHICNJNSC-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC000903752957 584796275 /nfs/dbraw/zinc/79/62/75/584796275.db2.gz QOHGOCJTIZQGFG-STQMWFEESA-N 3 1 239.407 1.354 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOC1CCSCC1 ZINC000903760003 584796757 /nfs/dbraw/zinc/79/67/57/584796757.db2.gz DUWATFGJSNZSER-UHFFFAOYSA-N 2 1 246.420 1.440 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOC1CCSCC1 ZINC000903760003 584796758 /nfs/dbraw/zinc/79/67/58/584796758.db2.gz DUWATFGJSNZSER-UHFFFAOYSA-N 2 1 246.420 1.440 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903767425 584797958 /nfs/dbraw/zinc/79/79/58/584797958.db2.gz XIQVRSRCDKXPQQ-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP C[N@@H+](CCc1cnccn1)C[C@H]1CCCC[NH2+]C1 ZINC000903755177 584798670 /nfs/dbraw/zinc/79/86/70/584798670.db2.gz BXJBGNSCFDGBJW-ZDUSSCGKSA-N 2 1 248.374 1.341 20 0 BDADMP CC(C)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816254 584800798 /nfs/dbraw/zinc/80/07/98/584800798.db2.gz XBTBNLYZSFOMIA-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000903826530 584804767 /nfs/dbraw/zinc/80/47/67/584804767.db2.gz LHHACTAAGJLDSA-XMEMRUQMSA-N 2 1 246.398 1.986 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCSC[C@@H]1C ZINC000903829843 584805778 /nfs/dbraw/zinc/80/57/78/584805778.db2.gz MGQGBHICKAXACO-JTQLQIEISA-N 2 1 202.367 1.423 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903843355 584807715 /nfs/dbraw/zinc/80/77/15/584807715.db2.gz JHKZCCAJYBOERI-RFGFWPKPSA-N 3 1 237.391 1.188 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2CCC1CC[NH2+]CC1 ZINC000903854129 584809083 /nfs/dbraw/zinc/80/90/83/584809083.db2.gz IDILPSJETCNEKE-ZIAGYGMSSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCC1CC[NH2+]CC1 ZINC000903854129 584809084 /nfs/dbraw/zinc/80/90/84/584809084.db2.gz IDILPSJETCNEKE-ZIAGYGMSSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCC1CC[NH2+]CC1 ZINC000903854129 584809085 /nfs/dbraw/zinc/80/90/85/584809085.db2.gz IDILPSJETCNEKE-ZIAGYGMSSA-N 3 1 237.391 1.189 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855297 584809307 /nfs/dbraw/zinc/80/93/07/584809307.db2.gz MJNAPBMVCDNBJU-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855297 584809308 /nfs/dbraw/zinc/80/93/08/584809308.db2.gz MJNAPBMVCDNBJU-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CCCCO1 ZINC000903861172 584812223 /nfs/dbraw/zinc/81/22/23/584812223.db2.gz WAKYMPGFNSXWEO-RWMBFGLXSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CCCCO1 ZINC000903861172 584812224 /nfs/dbraw/zinc/81/22/24/584812224.db2.gz WAKYMPGFNSXWEO-RWMBFGLXSA-N 2 1 224.348 1.369 20 0 BDADMP CC1CC(C[N@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903870667 584814894 /nfs/dbraw/zinc/81/48/94/584814894.db2.gz PFQKEXHLADXKJF-BPCQOVAHSA-N 2 1 208.349 1.860 20 0 BDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)C[NH3+] ZINC000903873010 584815465 /nfs/dbraw/zinc/81/54/65/584815465.db2.gz DAQBXXROYCNBLK-YHWZYXNKSA-N 3 1 239.407 1.434 20 0 BDADMP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)CN ZINC000903873010 584815467 /nfs/dbraw/zinc/81/54/67/584815467.db2.gz DAQBXXROYCNBLK-YHWZYXNKSA-N 2 1 239.407 1.434 20 0 BDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)CN ZINC000903873010 584815468 /nfs/dbraw/zinc/81/54/68/584815468.db2.gz DAQBXXROYCNBLK-YHWZYXNKSA-N 2 1 239.407 1.434 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903872836 584815472 /nfs/dbraw/zinc/81/54/72/584815472.db2.gz JYOJJALPHASCMH-LLVKDONJSA-N 2 1 249.349 1.385 20 0 BDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1[NH3+] ZINC000903873748 584816075 /nfs/dbraw/zinc/81/60/75/584816075.db2.gz MDMGLMMFRIVLEY-APYLGABCSA-N 3 1 237.391 1.186 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873901 584816202 /nfs/dbraw/zinc/81/62/02/584816202.db2.gz NURKZVFAPRPYIA-FUDCBSFHSA-N 3 1 237.391 1.188 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@H]([NH3+])CC(F)F ZINC000903878997 584816427 /nfs/dbraw/zinc/81/64/27/584816427.db2.gz PEZYZDVKNBBCRR-JTQLQIEISA-N 2 1 238.322 1.453 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903874481 584816533 /nfs/dbraw/zinc/81/65/33/584816533.db2.gz BQXLDRJMAQMPEU-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@]1(C2CC2)COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903882002 584817656 /nfs/dbraw/zinc/81/76/56/584817656.db2.gz LQMYBYYNSVJQOC-KWCYVHTRSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893167 584819095 /nfs/dbraw/zinc/81/90/95/584819095.db2.gz RTCIXLBXKNWHRB-VXGBXAGGSA-N 2 1 249.362 1.187 20 0 BDADMP CC[C@](C)(CCO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903902098 584820409 /nfs/dbraw/zinc/82/04/09/584820409.db2.gz CWEIZYAHDCPICJ-WCBMZHEXSA-N 2 1 224.295 1.110 20 0 BDADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CO ZINC000903908729 584821742 /nfs/dbraw/zinc/82/17/42/584821742.db2.gz OVWOGFBSJBXENW-WYTNZGFTSA-N 2 1 238.375 1.220 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000903909989 584821961 /nfs/dbraw/zinc/82/19/61/584821961.db2.gz ZCDFNKQKWSMOEY-VWYCJHECSA-N 2 1 249.349 1.383 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918824 584823050 /nfs/dbraw/zinc/82/30/50/584823050.db2.gz IVSLMSVUIMXKMZ-PSEXLTFBSA-N 2 1 237.391 1.247 20 0 BDADMP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H](C)[NH3+] ZINC000903920516 584823316 /nfs/dbraw/zinc/82/33/16/584823316.db2.gz VMCQAJIKTUZYLX-WDEREUQCSA-N 3 1 233.359 1.158 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930206 584824492 /nfs/dbraw/zinc/82/44/92/584824492.db2.gz UWBOBUJFGHOGHO-ZLMOABSSSA-N 2 1 237.391 1.377 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959910 584827781 /nfs/dbraw/zinc/82/77/81/584827781.db2.gz RPMCFGJTLHBBJR-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903959172 584827847 /nfs/dbraw/zinc/82/78/47/584827847.db2.gz CKYWJIIBMFEJJP-AWEZNQCLSA-N 3 1 237.391 1.191 20 0 BDADMP [NH3+]CC1(CN2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903959172 584827848 /nfs/dbraw/zinc/82/78/48/584827848.db2.gz CKYWJIIBMFEJJP-AWEZNQCLSA-N 2 1 237.391 1.191 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939958 584828976 /nfs/dbraw/zinc/82/89/76/584828976.db2.gz RMEHNQKNXBREKU-MNOVXSKESA-N 3 1 213.369 1.234 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC000903939858 584828940 /nfs/dbraw/zinc/82/89/40/584828940.db2.gz PBGKLCBLCPDMDA-VXGBXAGGSA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@H](C)C1 ZINC000903939858 584828941 /nfs/dbraw/zinc/82/89/41/584828941.db2.gz PBGKLCBLCPDMDA-VXGBXAGGSA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@H](C)C1 ZINC000903939858 584828942 /nfs/dbraw/zinc/82/89/42/584828942.db2.gz PBGKLCBLCPDMDA-VXGBXAGGSA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903953875 584831371 /nfs/dbraw/zinc/83/13/71/584831371.db2.gz MKFHUFDXDSLIOY-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903953875 584831372 /nfs/dbraw/zinc/83/13/72/584831372.db2.gz MKFHUFDXDSLIOY-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903979147 584832928 /nfs/dbraw/zinc/83/29/28/584832928.db2.gz WVGCYQNLFOFXJL-HIFRSBDPSA-N 2 1 230.355 1.997 20 0 BDADMP CC(C)([NH3+])C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903979147 584832929 /nfs/dbraw/zinc/83/29/29/584832929.db2.gz WVGCYQNLFOFXJL-HIFRSBDPSA-N 2 1 230.355 1.997 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903965077 584834732 /nfs/dbraw/zinc/83/47/32/584834732.db2.gz ZJYATOSDAVTJAG-GRYCIOLGSA-N 2 1 214.353 1.389 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299535 584860940 /nfs/dbraw/zinc/86/09/40/584860940.db2.gz GYKAFDJMQGTYBW-CYBMUJFWSA-N 2 1 246.354 1.792 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301380 584861533 /nfs/dbraw/zinc/86/15/33/584861533.db2.gz FJTUYIJGVFBJFA-TXEJJXNPSA-N 2 1 220.316 1.561 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC000904302480 584861699 /nfs/dbraw/zinc/86/16/99/584861699.db2.gz VCXXVBANPSDHOL-LOWVWBTDSA-N 2 1 219.332 1.889 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904302053 584862032 /nfs/dbraw/zinc/86/20/32/584862032.db2.gz UKGMLMLWAAYOAT-CABCVRRESA-N 3 1 247.386 1.705 20 0 BDADMP CC[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904302053 584862034 /nfs/dbraw/zinc/86/20/34/584862034.db2.gz UKGMLMLWAAYOAT-CABCVRRESA-N 2 1 247.386 1.705 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904310304 584862697 /nfs/dbraw/zinc/86/26/97/584862697.db2.gz ZPYNWJDAAZZEIM-JBLDHEPKSA-N 2 1 208.349 1.987 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320565 584864373 /nfs/dbraw/zinc/86/43/73/584864373.db2.gz LGJBSOMGEKHVPS-BNOWGMLFSA-N 2 1 248.370 1.992 20 0 BDADMP C[N@@H+](CCC1CCOCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323622 584864394 /nfs/dbraw/zinc/86/43/94/584864394.db2.gz PVAUKAICGQRNBZ-BETUJISGSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328236 584865528 /nfs/dbraw/zinc/86/55/28/584865528.db2.gz BSFIKTOZJSTUDJ-BFHYXJOUSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325299 584865592 /nfs/dbraw/zinc/86/55/92/584865592.db2.gz VHXFEQGZKVCVKI-MJBXVCDLSA-N 3 1 239.407 1.530 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325299 584865593 /nfs/dbraw/zinc/86/55/93/584865593.db2.gz VHXFEQGZKVCVKI-MJBXVCDLSA-N 3 1 239.407 1.530 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325299 584865594 /nfs/dbraw/zinc/86/55/94/584865594.db2.gz VHXFEQGZKVCVKI-MJBXVCDLSA-N 3 1 239.407 1.530 20 0 BDADMP CN1CCCC[C@H]1CC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325299 584865595 /nfs/dbraw/zinc/86/55/95/584865595.db2.gz VHXFEQGZKVCVKI-MJBXVCDLSA-N 2 1 239.407 1.530 20 0 BDADMP CN1CCCC[C@H]1CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325299 584865596 /nfs/dbraw/zinc/86/55/96/584865596.db2.gz VHXFEQGZKVCVKI-MJBXVCDLSA-N 2 1 239.407 1.530 20 0 BDADMP COc1cccc2c1CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904331990 584865884 /nfs/dbraw/zinc/86/58/84/584865884.db2.gz MFOKLLUBKOFOKW-BJHJDKERSA-N 2 1 246.354 1.791 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C2CC2)O1 ZINC000904342343 584867000 /nfs/dbraw/zinc/86/70/00/584867000.db2.gz DQYVGDGOYRRUQZ-DJIHRAIXSA-N 2 1 224.348 1.223 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341795 584867199 /nfs/dbraw/zinc/86/71/99/584867199.db2.gz WBYCLVDSBDGGLB-FRRDWIJNSA-N 3 1 225.380 1.140 20 0 BDADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349742 584868786 /nfs/dbraw/zinc/86/87/86/584868786.db2.gz ASPPQSCTNVNSCI-DOLQZWNJSA-N 2 1 236.281 1.996 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)CCCO2)C1CC([NH3+])C1 ZINC000904351238 584869647 /nfs/dbraw/zinc/86/96/47/584869647.db2.gz VLROFYHAULERTJ-UHFFFAOYSA-N 2 1 246.354 1.933 20 0 BDADMP CC(C)(C)CC[C@@H](N)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000904353590 584869997 /nfs/dbraw/zinc/86/99/97/584869997.db2.gz OFPKNLNJYLVEDQ-CHWSQXEVSA-N 2 1 241.423 1.729 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(=O)OC1CCCC1 ZINC000904369448 584873446 /nfs/dbraw/zinc/87/34/46/584873446.db2.gz WUWYZCQJLLUWOD-GARJFASQSA-N 2 1 240.347 1.188 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H]1CCO ZINC000904372237 584873498 /nfs/dbraw/zinc/87/34/98/584873498.db2.gz ZTOUIACKHWFLQX-STQMWFEESA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1CCO ZINC000904372237 584873499 /nfs/dbraw/zinc/87/34/99/584873499.db2.gz ZTOUIACKHWFLQX-STQMWFEESA-N 2 1 242.407 1.987 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)C1 ZINC000904373208 584873995 /nfs/dbraw/zinc/87/39/95/584873995.db2.gz CJFKADASNBNJCQ-MQYQWHSLSA-N 2 1 238.375 1.615 20 0 BDADMP Cn1ccc([C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904388369 584875072 /nfs/dbraw/zinc/87/50/72/584875072.db2.gz IAJVEHZOMHFWSH-UPJWGTAASA-N 2 1 248.374 1.337 20 0 BDADMP CC(C)([NH3+])CC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904386275 584877942 /nfs/dbraw/zinc/87/79/42/584877942.db2.gz VHLOITNPEDVEOR-GFCCVEGCSA-N 3 1 213.369 1.093 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000904385323 584877915 /nfs/dbraw/zinc/87/79/15/584877915.db2.gz VPTVVMZASHHUIS-FRRDWIJNSA-N 2 1 240.391 1.718 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406659 584878294 /nfs/dbraw/zinc/87/82/94/584878294.db2.gz UAFUROGTJWPOBL-JTQLQIEISA-N 2 1 240.372 1.927 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1C[NH3+] ZINC000904410920 584878902 /nfs/dbraw/zinc/87/89/02/584878902.db2.gz RSEHBIOTRIALNU-SWLSCSKDSA-N 3 1 247.386 1.562 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410604 584879104 /nfs/dbraw/zinc/87/91/04/584879104.db2.gz PPAIRWRQTKHFHN-MGPQQGTHSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412327 584879629 /nfs/dbraw/zinc/87/96/29/584879629.db2.gz SCVUIHPXPRRHSU-ONGXEEELSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412327 584879630 /nfs/dbraw/zinc/87/96/30/584879630.db2.gz SCVUIHPXPRRHSU-ONGXEEELSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412327 584879632 /nfs/dbraw/zinc/87/96/32/584879632.db2.gz SCVUIHPXPRRHSU-ONGXEEELSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412180 584879825 /nfs/dbraw/zinc/87/98/25/584879825.db2.gz RUTMRIOKRARMCU-ZYHUDNBSSA-N 2 1 236.363 1.145 20 0 BDADMP Oc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421002 584882204 /nfs/dbraw/zinc/88/22/04/584882204.db2.gz KYCITDRONJZJGR-QWHCGFSZSA-N 2 1 232.327 1.434 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361674981 585025148 /nfs/dbraw/zinc/02/51/48/585025148.db2.gz JBCWAYDKFXECLB-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361674981 585025149 /nfs/dbraw/zinc/02/51/49/585025149.db2.gz JBCWAYDKFXECLB-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361674981 585025150 /nfs/dbraw/zinc/02/51/50/585025150.db2.gz JBCWAYDKFXECLB-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1ccccc1[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000741783340 585118510 /nfs/dbraw/zinc/11/85/10/585118510.db2.gz ZOVGMTPETUYDGW-VNHYZAJKSA-N 2 1 246.354 1.180 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762651632 585434786 /nfs/dbraw/zinc/43/47/86/585434786.db2.gz USADNUZLKFRKJI-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762651632 585434787 /nfs/dbraw/zinc/43/47/87/585434787.db2.gz USADNUZLKFRKJI-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCO ZINC000779345186 585751715 /nfs/dbraw/zinc/75/17/15/585751715.db2.gz NPMKOBBVLIBBNM-QWRGUYRKSA-N 2 1 202.342 1.077 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779346093 585752244 /nfs/dbraw/zinc/75/22/44/585752244.db2.gz UHNSWFLGDFINJL-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000806138178 586405261 /nfs/dbraw/zinc/40/52/61/586405261.db2.gz SDUXXGRFPLEDFX-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000806138178 586405263 /nfs/dbraw/zinc/40/52/63/586405263.db2.gz SDUXXGRFPLEDFX-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912357 586831281 /nfs/dbraw/zinc/83/12/81/586831281.db2.gz GJFOLGAYJMAQTG-RWMBFGLXSA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817906302 586836725 /nfs/dbraw/zinc/83/67/25/586836725.db2.gz WZUBDSUIBDIQOR-GHMZBOCLSA-N 2 1 237.347 1.552 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000817912272 586838348 /nfs/dbraw/zinc/83/83/48/586838348.db2.gz FTLFXAUBJNLQTB-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCCCC1 ZINC000817913896 586839143 /nfs/dbraw/zinc/83/91/43/586839143.db2.gz PZCPYQDQJCSTOA-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CCC[C@@H]1C ZINC000817914430 586839810 /nfs/dbraw/zinc/83/98/10/586839810.db2.gz XGAOJDJQCFIIQM-SRVKXCTJSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC[C@@H]1C ZINC000817914430 586839812 /nfs/dbraw/zinc/83/98/12/586839812.db2.gz XGAOJDJQCFIIQM-SRVKXCTJSA-N 2 1 213.369 1.186 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1F ZINC000817927244 586840863 /nfs/dbraw/zinc/84/08/63/586840863.db2.gz HYTRSOZHNGIATR-GXSJLCMTSA-N 2 1 223.295 1.438 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817940378 586844943 /nfs/dbraw/zinc/84/49/43/586844943.db2.gz MEFVUQBQNFYATN-VIFPVBQESA-N 2 1 227.739 1.995 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000817943178 586846301 /nfs/dbraw/zinc/84/63/01/586846301.db2.gz KOPGMSDBNOSZEA-LLVKDONJSA-N 2 1 224.352 1.379 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000819151912 586933582 /nfs/dbraw/zinc/93/35/82/586933582.db2.gz HSICJGYVBPFAKW-OCCSQVGLSA-N 2 1 240.391 1.325 20 0 BDADMP C1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C[NH2+]1 ZINC000841045025 587938822 /nfs/dbraw/zinc/93/88/22/587938822.db2.gz KXKKPTNEXGBQGB-ZDCRXTMVSA-N 2 1 244.429 1.318 20 0 BDADMP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C[NH2+]1 ZINC000841045024 587939504 /nfs/dbraw/zinc/93/95/04/587939504.db2.gz KXKKPTNEXGBQGB-VLEAKVRGSA-N 2 1 244.429 1.318 20 0 BDADMP Cn1cnc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000842222047 588007643 /nfs/dbraw/zinc/00/76/43/588007643.db2.gz XPIFTWLSKUQLRQ-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](C)CN1C ZINC000842476915 588029759 /nfs/dbraw/zinc/02/97/59/588029759.db2.gz XBTAFWUMHLZARX-KBPBESRZSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)Cc1nc([C@@H](C)C[NH2+]C)no1 ZINC000842580812 588043799 /nfs/dbraw/zinc/04/37/99/588043799.db2.gz AXWKKVVKUHWPQM-VIFPVBQESA-N 2 1 226.324 1.234 20 0 BDADMP C[NH2+]C[C@@H](C)c1noc(C[N@H+](C)C(C)C)n1 ZINC000842583508 588044574 /nfs/dbraw/zinc/04/45/74/588044574.db2.gz VAXIDSJDINYEPR-SECBINFHSA-N 2 1 226.324 1.233 20 0 BDADMP C[NH2+]C[C@@H](C)c1noc(C[N@@H+](C)C(C)C)n1 ZINC000842583508 588044576 /nfs/dbraw/zinc/04/45/76/588044576.db2.gz VAXIDSJDINYEPR-SECBINFHSA-N 2 1 226.324 1.233 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843047193 588076073 /nfs/dbraw/zinc/07/60/73/588076073.db2.gz JIHYUQVIHZXCCI-ZDUSSCGKSA-N 2 1 246.354 1.888 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)COC2)C1CC([NH3+])C1 ZINC000843125396 588083491 /nfs/dbraw/zinc/08/34/91/588083491.db2.gz VKMCHIXCSVZLBH-UHFFFAOYSA-N 2 1 232.327 1.638 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]CCCCCC[NH3+] ZINC000843129915 588085417 /nfs/dbraw/zinc/08/54/17/588085417.db2.gz UKPNIEUJKBERAL-GFCCVEGCSA-N 2 1 215.385 1.469 20 0 BDADMP CC[NH+](CC)Cc1nc(C2CC[NH2+]CC2)no1 ZINC000843140135 588086004 /nfs/dbraw/zinc/08/60/04/588086004.db2.gz YARHGJRKRMILBE-UHFFFAOYSA-N 2 1 238.335 1.378 20 0 BDADMP C[C@@H](NCCCCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000843343678 588101342 /nfs/dbraw/zinc/10/13/42/588101342.db2.gz CUAUAWJLSIMVAO-NEPJUHHUSA-N 2 1 213.369 1.236 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])Cc2ccccc21 ZINC000843356269 588102898 /nfs/dbraw/zinc/10/28/98/588102898.db2.gz LCDGUMMABDSZEW-GFCCVEGCSA-N 2 1 234.343 1.581 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843354926 588103352 /nfs/dbraw/zinc/10/33/52/588103352.db2.gz LWVDDEQGOYPXEZ-PNESKVBLSA-N 3 1 225.380 1.188 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000844222121 588174431 /nfs/dbraw/zinc/17/44/31/588174431.db2.gz VNDGFKVDMQAZJS-QWHCGFSZSA-N 2 1 248.374 1.209 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846213895 588260382 /nfs/dbraw/zinc/26/03/82/588260382.db2.gz DMRZKGIFNRUGNA-CYBMUJFWSA-N 3 1 227.396 1.437 20 0 BDADMP CC[N@@H+](CCCCCC[NH3+])C[C@H]1CCOC1 ZINC000846217798 588260413 /nfs/dbraw/zinc/26/04/13/588260413.db2.gz BZJUJDUUWLBWOY-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000846217924 588260781 /nfs/dbraw/zinc/26/07/81/588260781.db2.gz IYATZDZJASTGRZ-HNNXBMFYSA-N 2 1 248.370 1.324 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2c(C)cccc2C1 ZINC000846217924 588260782 /nfs/dbraw/zinc/26/07/82/588260782.db2.gz IYATZDZJASTGRZ-HNNXBMFYSA-N 2 1 248.370 1.324 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCCC[NH3+])C1 ZINC000846220871 588261276 /nfs/dbraw/zinc/26/12/76/588261276.db2.gz WWOIXXHTJAPBQS-CQSZACIVSA-N 2 1 241.423 1.779 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220871 588261277 /nfs/dbraw/zinc/26/12/77/588261277.db2.gz WWOIXXHTJAPBQS-CQSZACIVSA-N 2 1 241.423 1.779 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220871 588261278 /nfs/dbraw/zinc/26/12/78/588261278.db2.gz WWOIXXHTJAPBQS-CQSZACIVSA-N 2 1 241.423 1.779 20 0 BDADMP Cc1ccc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107572790 588380815 /nfs/dbraw/zinc/38/08/15/588380815.db2.gz GPMWGFFLDBRDJY-OKILXGFUSA-N 2 1 246.354 1.525 20 0 BDADMP Cc1ccccc1OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107572819 588381104 /nfs/dbraw/zinc/38/11/04/588381104.db2.gz PLZREYQMVDLJSX-OKILXGFUSA-N 2 1 246.354 1.525 20 0 BDADMP Cc1ccccc1OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107572819 588381105 /nfs/dbraw/zinc/38/11/05/588381105.db2.gz PLZREYQMVDLJSX-OKILXGFUSA-N 2 1 246.354 1.525 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NC1CC1 ZINC000848987759 588426214 /nfs/dbraw/zinc/42/62/14/588426214.db2.gz YNBLVNYSKNMUDY-SNVBAGLBSA-N 2 1 224.352 1.137 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])NCC1CCC1 ZINC000848987543 588426278 /nfs/dbraw/zinc/42/62/78/588426278.db2.gz FEUYBPNFUFQRSC-UHFFFAOYSA-N 2 1 249.362 1.496 20 0 BDADMP C[C@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCCC[C@@H]1C ZINC000848987081 588426436 /nfs/dbraw/zinc/42/64/36/588426436.db2.gz HTCXHDVIFJDGLJ-NWDGAFQWSA-N 2 1 238.379 1.479 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996495 588429075 /nfs/dbraw/zinc/42/90/75/588429075.db2.gz ZDMDDJDFTLSFEP-NWDGAFQWSA-N 2 1 240.395 1.629 20 0 BDADMP CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000848998720 588430099 /nfs/dbraw/zinc/43/00/99/588430099.db2.gz MSHJQGOHKYPRKV-LLVKDONJSA-N 2 1 226.368 1.241 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039862 588447005 /nfs/dbraw/zinc/44/70/05/588447005.db2.gz VELFQOLJXJOLRA-LLVKDONJSA-N 2 1 240.395 1.773 20 0 BDADMP CCCCNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039876 588447122 /nfs/dbraw/zinc/44/71/22/588447122.db2.gz VYQRAGNHYJYICI-UHFFFAOYSA-N 2 1 240.395 1.775 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000108324042 588460580 /nfs/dbraw/zinc/46/05/80/588460580.db2.gz MSHRXXRXIRZLDV-ZDUSSCGKSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNC1=[NH+]CCCCN1 ZINC000849215597 588462181 /nfs/dbraw/zinc/46/21/81/588462181.db2.gz SGPJRPPJQLQNGC-GFCCVEGCSA-N 2 1 238.379 1.190 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCOC(F)F)CC[C@@H]21 ZINC000851812474 588632835 /nfs/dbraw/zinc/63/28/35/588632835.db2.gz GTWORKPCLUSRMU-QWRGUYRKSA-N 2 1 248.317 1.642 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOC(F)F)CC[C@@H]21 ZINC000851812474 588632836 /nfs/dbraw/zinc/63/28/36/588632836.db2.gz GTWORKPCLUSRMU-QWRGUYRKSA-N 2 1 248.317 1.642 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOC(F)F)CC[C@@H]21 ZINC000851812474 588632837 /nfs/dbraw/zinc/63/28/37/588632837.db2.gz GTWORKPCLUSRMU-QWRGUYRKSA-N 2 1 248.317 1.642 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOC(F)F)CC[C@@H]21 ZINC000851812474 588632838 /nfs/dbraw/zinc/63/28/38/588632838.db2.gz GTWORKPCLUSRMU-QWRGUYRKSA-N 2 1 248.317 1.642 20 0 BDADMP COC(CC[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000851985739 588652013 /nfs/dbraw/zinc/65/20/13/588652013.db2.gz PWUQZFXLDXAQPZ-LBPRGKRZSA-N 2 1 244.379 1.412 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOC(F)F ZINC000852740701 588698730 /nfs/dbraw/zinc/69/87/30/588698730.db2.gz KGRRBEZGLHAADZ-SECBINFHSA-N 2 1 224.295 1.531 20 0 BDADMP CC[C@@H]1CCN(C(=[NH2+])NCCn2cc[nH+]c2C)C1 ZINC000864457078 589367460 /nfs/dbraw/zinc/36/74/60/589367460.db2.gz QHPJSJZJQDBZKV-GFCCVEGCSA-N 2 1 249.362 1.448 20 0 BDADMP C[C@H](CNC(=[NH2+])NCCC1CC1)[N@@H+](C)C1CC1 ZINC000864458018 589367748 /nfs/dbraw/zinc/36/77/48/589367748.db2.gz VTNQPWKRYYHZEJ-SNVBAGLBSA-N 2 1 238.379 1.383 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000864457860 589367796 /nfs/dbraw/zinc/36/77/96/589367796.db2.gz VMVAFDTXBXWKKK-LLVKDONJSA-N 2 1 240.395 1.631 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000864463282 589370020 /nfs/dbraw/zinc/37/00/20/589370020.db2.gz USTDHGXLRJSOAJ-UHFFFAOYSA-N 2 1 238.379 1.551 20 0 BDADMP CC(C)(O)C[N@@H+]1CC[C@H](NCc2ccncc2)C1 ZINC000865658759 589454832 /nfs/dbraw/zinc/45/48/32/589454832.db2.gz YGIVMYIIAMIARO-ZDUSSCGKSA-N 2 1 249.358 1.016 20 0 BDADMP CC(C)(O)C[N@H+]1CC[C@H](NCc2ccncc2)C1 ZINC000865658759 589454833 /nfs/dbraw/zinc/45/48/33/589454833.db2.gz YGIVMYIIAMIARO-ZDUSSCGKSA-N 2 1 249.358 1.016 20 0 BDADMP Cc1cccc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866206869 589480127 /nfs/dbraw/zinc/48/01/27/589480127.db2.gz UGLUJEYLIKBMPM-OLZOCXBDSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cccc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866206869 589480128 /nfs/dbraw/zinc/48/01/28/589480128.db2.gz UGLUJEYLIKBMPM-OLZOCXBDSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc[nH+]1 ZINC000866206667 589480261 /nfs/dbraw/zinc/48/02/61/589480261.db2.gz FHIMKCTUQNIHBA-TZMCWYRMSA-N 2 1 231.343 1.920 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000866486179 589496195 /nfs/dbraw/zinc/49/61/95/589496195.db2.gz AOBFNKZOHGZHGT-USZNOCQGSA-N 2 1 228.405 1.953 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000866486179 589496196 /nfs/dbraw/zinc/49/61/96/589496196.db2.gz AOBFNKZOHGZHGT-USZNOCQGSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866658840 589508190 /nfs/dbraw/zinc/50/81/90/589508190.db2.gz BKMKCURKOVVUPA-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000866658839 589508304 /nfs/dbraw/zinc/50/83/04/589508304.db2.gz BKMKCURKOVVUPA-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP C[N@H+](CCCCCCC[NH3+])Cc1ncc[nH]1 ZINC000866700278 589513083 /nfs/dbraw/zinc/51/30/83/589513083.db2.gz WCVMZAGVRJHTKA-UHFFFAOYSA-N 2 1 224.352 1.751 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])Cc1ncc[nH]1 ZINC000866700278 589513085 /nfs/dbraw/zinc/51/30/85/589513085.db2.gz WCVMZAGVRJHTKA-UHFFFAOYSA-N 2 1 224.352 1.751 20 0 BDADMP C1=CCC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000866724980 589516159 /nfs/dbraw/zinc/51/61/59/589516159.db2.gz QBEBSGWYHNFVGA-STQMWFEESA-N 2 1 206.333 1.779 20 0 BDADMP C[NH+]1CCC([NH2+]CCC[C@@H]2CCOC2=O)CC1 ZINC000872113088 589874363 /nfs/dbraw/zinc/87/43/63/589874363.db2.gz MXPRKUIEJKPYHG-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141313 589881860 /nfs/dbraw/zinc/88/18/60/589881860.db2.gz DIDQWGZZLAJVSD-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP CC1(C)CO[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000872144705 589884325 /nfs/dbraw/zinc/88/43/25/589884325.db2.gz FAKDXLFSXKACLV-MBNYWOFBSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000872144705 589884326 /nfs/dbraw/zinc/88/43/26/589884326.db2.gz FAKDXLFSXKACLV-MBNYWOFBSA-N 2 1 238.375 1.615 20 0 BDADMP C[NH2+]CCCNCc1cc2c(s1)CC[NH2+]C2 ZINC000873210678 589994801 /nfs/dbraw/zinc/99/48/01/589994801.db2.gz OBIIUMRLTQWVRN-UHFFFAOYSA-N 2 1 239.388 1.093 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CC[NH2+]C(C)(C)C)CC[C@@H]21 ZINC000873222056 589999435 /nfs/dbraw/zinc/99/94/35/589999435.db2.gz YCVJGNOOXVYPEZ-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc(N)s1 ZINC000873231312 590002924 /nfs/dbraw/zinc/00/29/24/590002924.db2.gz FEEMTZQOIJHXND-UHFFFAOYSA-N 2 1 242.392 1.676 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234149 590004293 /nfs/dbraw/zinc/00/42/93/590004293.db2.gz CSVIIDYNGVWPON-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234142 590004864 /nfs/dbraw/zinc/00/48/64/590004864.db2.gz CSVIIDYNGVWPON-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)[C@H](C)O1 ZINC000873237926 590005120 /nfs/dbraw/zinc/00/51/20/590005120.db2.gz VOJQWZPYZYMRRT-VOAKCMCISA-N 2 1 240.391 1.920 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)[C@H]1CCC[NH2+]1 ZINC000873238550 590005676 /nfs/dbraw/zinc/00/56/76/590005676.db2.gz BFYUXSUGYATYJI-YOOCBKBXSA-N 2 1 236.359 1.140 20 0 BDADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249845 590007240 /nfs/dbraw/zinc/00/72/40/590007240.db2.gz MUXBTGFGENATCX-RZFFKMDDSA-N 2 1 247.386 1.272 20 0 BDADMP CC(C)N1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873258057 590012459 /nfs/dbraw/zinc/01/24/59/590012459.db2.gz LQOFYXHLGHROHE-HAQNSBGRSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000873270676 590016342 /nfs/dbraw/zinc/01/63/42/590016342.db2.gz ZVTDNEHBOZBISJ-KWCYVHTRSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000873270678 590016407 /nfs/dbraw/zinc/01/64/07/590016407.db2.gz ZVTDNEHBOZBISJ-XBFCOCLRSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000873273273 590017011 /nfs/dbraw/zinc/01/70/11/590017011.db2.gz ZVTDNEHBOZBISJ-FPMFFAJLSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000876723169 590233414 /nfs/dbraw/zinc/23/34/14/590233414.db2.gz OPKPKMPFNRUYFU-IJLUTSLNSA-N 2 1 241.379 1.103 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876887034 590254439 /nfs/dbraw/zinc/25/44/39/590254439.db2.gz HUHANOFNMOUUIV-UHFFFAOYSA-N 2 1 241.766 1.964 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CC)C1)OC ZINC000876942694 590259532 /nfs/dbraw/zinc/25/95/32/590259532.db2.gz BTQCPWLZVZSSDM-IHRRRGAJSA-N 2 1 242.407 1.979 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CC(C(=O)OC)C2)CC1 ZINC000877722491 590401713 /nfs/dbraw/zinc/40/17/13/590401713.db2.gz WQGPNEMJNOUCLQ-UHFFFAOYSA-N 2 1 240.347 1.012 20 0 BDADMP CCSCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877738231 590405224 /nfs/dbraw/zinc/40/52/24/590405224.db2.gz ATFLWCNTXBKEFQ-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877738231 590405225 /nfs/dbraw/zinc/40/52/25/590405225.db2.gz ATFLWCNTXBKEFQ-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877738231 590405227 /nfs/dbraw/zinc/40/52/27/590405227.db2.gz ATFLWCNTXBKEFQ-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738231 590405229 /nfs/dbraw/zinc/40/52/29/590405229.db2.gz ATFLWCNTXBKEFQ-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878105157 590494524 /nfs/dbraw/zinc/49/45/24/590494524.db2.gz XFEWNDVNBZFSOG-CHWSQXEVSA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511716 590583549 /nfs/dbraw/zinc/58/35/49/590583549.db2.gz HFMYXXPEBZRTOZ-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CCc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000127323199 590621238 /nfs/dbraw/zinc/62/12/38/590621238.db2.gz QDSBUXBUBKMVKS-MWLCHTKSSA-N 2 1 234.347 1.521 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCC3CC3)CC[C@H]21 ZINC000879573757 590809575 /nfs/dbraw/zinc/80/95/75/590809575.db2.gz QWJXWJANJWPUAJ-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC000879573757 590809580 /nfs/dbraw/zinc/80/95/80/590809580.db2.gz QWJXWJANJWPUAJ-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC000879573757 590809586 /nfs/dbraw/zinc/80/95/86/590809586.db2.gz QWJXWJANJWPUAJ-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP COCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572767 590810233 /nfs/dbraw/zinc/81/02/33/590810233.db2.gz ZZUFRIVTQHJZIO-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572767 590810237 /nfs/dbraw/zinc/81/02/37/590810237.db2.gz ZZUFRIVTQHJZIO-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572767 590810240 /nfs/dbraw/zinc/81/02/40/590810240.db2.gz ZZUFRIVTQHJZIO-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572767 590810241 /nfs/dbraw/zinc/81/02/41/590810241.db2.gz ZZUFRIVTQHJZIO-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578004 590812846 /nfs/dbraw/zinc/81/28/46/590812846.db2.gz AEAJIKGZVMSZOL-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578004 590812851 /nfs/dbraw/zinc/81/28/51/590812851.db2.gz AEAJIKGZVMSZOL-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578004 590812854 /nfs/dbraw/zinc/81/28/54/590812854.db2.gz AEAJIKGZVMSZOL-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(C)COC3)CC[C@@H]21 ZINC000879574271 590813628 /nfs/dbraw/zinc/81/36/28/590813628.db2.gz YWKIONMQJYZVGP-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(C)COC3)CC[C@@H]21 ZINC000879574271 590813629 /nfs/dbraw/zinc/81/36/29/590813629.db2.gz YWKIONMQJYZVGP-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(C)COC3)CC[C@@H]21 ZINC000879574271 590813632 /nfs/dbraw/zinc/81/36/32/590813632.db2.gz YWKIONMQJYZVGP-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP COC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583398 590820007 /nfs/dbraw/zinc/82/00/07/590820007.db2.gz YPDDBKMRTFVIBW-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583398 590820009 /nfs/dbraw/zinc/82/00/09/590820009.db2.gz YPDDBKMRTFVIBW-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583398 590820013 /nfs/dbraw/zinc/82/00/13/590820013.db2.gz YPDDBKMRTFVIBW-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583398 590820018 /nfs/dbraw/zinc/82/00/18/590820018.db2.gz YPDDBKMRTFVIBW-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCF)CC[C@H]21 ZINC000879580233 590822427 /nfs/dbraw/zinc/82/24/27/590822427.db2.gz FVIYITKTWRQQHU-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCCF)CC[C@H]21 ZINC000879580233 590822429 /nfs/dbraw/zinc/82/24/29/590822429.db2.gz FVIYITKTWRQQHU-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCCF)CC[C@H]21 ZINC000879580233 590822430 /nfs/dbraw/zinc/82/24/30/590822430.db2.gz FVIYITKTWRQQHU-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCF)CC[C@H]21 ZINC000879580233 590822433 /nfs/dbraw/zinc/82/24/33/590822433.db2.gz FVIYITKTWRQQHU-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580832 590822701 /nfs/dbraw/zinc/82/27/01/590822701.db2.gz UZKDDXJPSOZTAR-FRRDWIJNSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580832 590822704 /nfs/dbraw/zinc/82/27/04/590822704.db2.gz UZKDDXJPSOZTAR-FRRDWIJNSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580832 590822705 /nfs/dbraw/zinc/82/27/05/590822705.db2.gz UZKDDXJPSOZTAR-FRRDWIJNSA-N 2 1 240.391 1.419 20 0 BDADMP CC1([NH+]2CCCCC2)CC[NH+](CCO)CC1 ZINC000879949470 590895525 /nfs/dbraw/zinc/89/55/25/590895525.db2.gz WMRZRTRFBRDEPN-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP CCOCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260083 590980760 /nfs/dbraw/zinc/98/07/60/590980760.db2.gz NCXQHPIAIAJABS-ZDUSSCGKSA-N 2 1 249.358 1.629 20 0 BDADMP C[C@@H]1CC[C@H](CO)[N@H+]1CCC[NH+]1CCCCC1 ZINC000880439626 591041674 /nfs/dbraw/zinc/04/16/74/591041674.db2.gz FRPVPVDZARFZIG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP COC[C@@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473347 591053321 /nfs/dbraw/zinc/05/33/21/591053321.db2.gz WYRZBXXJQMBQCV-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000883261805 591600064 /nfs/dbraw/zinc/60/00/64/591600064.db2.gz NBRKPEBHVKVUNN-AVGNSLFASA-N 2 1 240.391 1.874 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000216272865 592015616 /nfs/dbraw/zinc/01/56/16/592015616.db2.gz MSDFBFGAHOITEZ-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000216272865 592015619 /nfs/dbraw/zinc/01/56/19/592015619.db2.gz MSDFBFGAHOITEZ-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886330320 592210586 /nfs/dbraw/zinc/21/05/86/592210586.db2.gz QOBBQSULZDHYAD-FRRDWIJNSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886330320 592210588 /nfs/dbraw/zinc/21/05/88/592210588.db2.gz QOBBQSULZDHYAD-FRRDWIJNSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886330320 592210589 /nfs/dbraw/zinc/21/05/89/592210589.db2.gz QOBBQSULZDHYAD-FRRDWIJNSA-N 2 1 208.349 1.813 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219259998 592220508 /nfs/dbraw/zinc/22/05/08/592220508.db2.gz NLNUIYOLEICCJY-WTUNAVPPSA-N 2 1 240.391 1.608 20 0 BDADMP CCC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219266549 592220930 /nfs/dbraw/zinc/22/09/30/592220930.db2.gz LVQJRHFOFIBIBA-GSPSYOTPSA-N 2 1 240.391 1.752 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](C)C1 ZINC000886725865 592311303 /nfs/dbraw/zinc/31/13/03/592311303.db2.gz ZUZOTNRZXKBLBP-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827713 592349755 /nfs/dbraw/zinc/34/97/55/592349755.db2.gz QDPZCHJJXNODFX-MJBXVCDLSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886838121 592355728 /nfs/dbraw/zinc/35/57/28/592355728.db2.gz RJJUCFFHOYPPKZ-JHJVBQTASA-N 2 1 224.348 1.084 20 0 BDADMP FCCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874739 592377445 /nfs/dbraw/zinc/37/74/45/592377445.db2.gz VQINYMUBQGDYJJ-GFCCVEGCSA-N 2 1 214.328 1.812 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCCO ZINC000887133288 592448506 /nfs/dbraw/zinc/44/85/06/592448506.db2.gz YDHCOFQNSQSCGI-CYBMUJFWSA-N 2 1 249.358 1.365 20 0 BDADMP C[C@H]([NH3+])[C@@H](NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703433 634381956 /nfs/dbraw/zinc/38/19/56/634381956.db2.gz USESVCMEQZMAAI-GXTWGEPZSA-N 2 1 247.386 1.794 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703433 634381965 /nfs/dbraw/zinc/38/19/65/634381965.db2.gz USESVCMEQZMAAI-GXTWGEPZSA-N 3 1 247.386 1.794 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)O1 ZINC000925706765 634390728 /nfs/dbraw/zinc/39/07/28/634390728.db2.gz GKDBFGNSJMDBMW-GRYCIOLGSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ncnn21 ZINC000925707627 634396514 /nfs/dbraw/zinc/39/65/14/634396514.db2.gz LZGPPPUIKABYSP-JQWIXIFHSA-N 2 1 247.346 1.135 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ncnn21 ZINC000925707627 634396525 /nfs/dbraw/zinc/39/65/25/634396525.db2.gz LZGPPPUIKABYSP-JQWIXIFHSA-N 2 1 247.346 1.135 20 0 BDADMP C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000925708833 634404010 /nfs/dbraw/zinc/40/40/10/634404010.db2.gz NZPFWOXOEATGIV-SCRDCRAPSA-N 2 1 235.375 1.792 20 0 BDADMP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H](C)N ZINC000925708833 634404012 /nfs/dbraw/zinc/40/40/12/634404012.db2.gz NZPFWOXOEATGIV-SCRDCRAPSA-N 2 1 235.375 1.792 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)O1 ZINC000299991638 634408207 /nfs/dbraw/zinc/40/82/07/634408207.db2.gz DFADWCSFRGRWNB-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP OC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000925713143 634414888 /nfs/dbraw/zinc/41/48/88/634414888.db2.gz JYSUSRFTUSRPLH-NEPJUHHUSA-N 2 1 224.348 1.022 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313140423 634455206 /nfs/dbraw/zinc/45/52/06/634455206.db2.gz QKWPVRNTPZZPLO-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ncn1 ZINC000257708069 634472673 /nfs/dbraw/zinc/47/26/73/634472673.db2.gz RXCUVYNZXMNHHL-UHFFFAOYSA-N 2 1 246.358 1.361 20 0 BDADMP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)[C@H]1CCCCO1 ZINC000257742501 634487906 /nfs/dbraw/zinc/48/79/06/634487906.db2.gz ZCFAFORKHXNPRR-KGLIPLIRSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)[C@H]1CCCCO1 ZINC000257742501 634487913 /nfs/dbraw/zinc/48/79/13/634487913.db2.gz ZCFAFORKHXNPRR-KGLIPLIRSA-N 2 1 238.375 1.774 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000253179355 634516608 /nfs/dbraw/zinc/51/66/08/634516608.db2.gz CUAWNJXQLKRCRC-UPJWGTAASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](N)C12CCC2)C1CC[NH2+]CC1 ZINC000925728256 634527677 /nfs/dbraw/zinc/52/76/77/634527677.db2.gz KFAALEJMKGBONB-UHTWSYAYSA-N 2 1 237.391 1.234 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CC[NH2+]CC1 ZINC000925728435 634530198 /nfs/dbraw/zinc/53/01/98/634530198.db2.gz VDQBRIGLPZNCIK-NQBHXWOUSA-N 3 1 225.380 1.105 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000336114446 634606557 /nfs/dbraw/zinc/60/65/57/634606557.db2.gz YBWZZRWREPPRLD-CYBMUJFWSA-N 2 1 246.358 1.639 20 0 BDADMP c1[nH]nc2c1[C@@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423573774 634613358 /nfs/dbraw/zinc/61/33/58/634613358.db2.gz ZNFSDFDFYSEGGG-LBPRGKRZSA-N 2 1 234.347 1.519 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000227080352 635446502 /nfs/dbraw/zinc/44/65/02/635446502.db2.gz LEPJDCJKGYXEEW-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000925881200 635608548 /nfs/dbraw/zinc/60/85/48/635608548.db2.gz YZSJHPYWEARMRJ-ZOBORPQBSA-N 2 1 239.407 1.624 20 0 BDADMP CCC1([NH2+]C[C@H]([NH3+])CC(F)F)CCC1 ZINC000308463025 631352862 /nfs/dbraw/zinc/35/28/62/631352862.db2.gz GHHWXQHGQIXPKV-MRVPVSSYSA-N 2 1 206.280 1.891 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]1CO ZINC000934016672 631612962 /nfs/dbraw/zinc/61/29/62/631612962.db2.gz JTTKYQVLMYRSMT-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]1CO ZINC000934016672 631612968 /nfs/dbraw/zinc/61/29/68/631612968.db2.gz JTTKYQVLMYRSMT-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP CC[N@H+](CC(C)C)C[C@H](O)C[NH+]1CCCC1 ZINC000309060197 631835165 /nfs/dbraw/zinc/83/51/65/631835165.db2.gz XYHFPAYNLPXJMV-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@H](O)C[NH+]1CCCC1 ZINC000309060197 631835166 /nfs/dbraw/zinc/83/51/66/631835166.db2.gz XYHFPAYNLPXJMV-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051919046 632012307 /nfs/dbraw/zinc/01/23/07/632012307.db2.gz XHGOFDRXSYNFQW-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000051919047 632013168 /nfs/dbraw/zinc/01/31/68/632013168.db2.gz XHGOFDRXSYNFQW-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000309495438 632416898 /nfs/dbraw/zinc/41/68/98/632416898.db2.gz YGNPJUKLDVRKCB-UHFFFAOYSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccnc2ccccc12 ZINC000162018393 632488127 /nfs/dbraw/zinc/48/81/27/632488127.db2.gz SSOUEAMZKJAERO-JTQLQIEISA-N 2 1 215.300 1.672 20 0 BDADMP CN(C)c1nc(N[C@@H]2CCC[C@H]2C[NH3+])cc[nH+]1 ZINC000089106023 632659804 /nfs/dbraw/zinc/65/98/04/632659804.db2.gz JDBXBJCDKHGKOT-VHSXEESVSA-N 2 1 235.335 1.082 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCCNC1=[NH+]CCN1C ZINC000310386131 632734364 /nfs/dbraw/zinc/73/43/64/632734364.db2.gz DQEVXTITOWCWPX-LBPRGKRZSA-N 2 1 238.379 1.142 20 0 BDADMP O[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000310768974 632982132 /nfs/dbraw/zinc/98/21/32/632982132.db2.gz SKYIJADSTDTDSE-HUUCEWRRSA-N 2 1 246.354 1.405 20 0 BDADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000167427291 633129929 /nfs/dbraw/zinc/12/99/29/633129929.db2.gz BRQJGTPOIORFOE-GHMZBOCLSA-N 2 1 248.436 1.419 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000122304504 633204826 /nfs/dbraw/zinc/20/48/26/633204826.db2.gz MUKPWTNRVOGLLA-UONOGXRCSA-N 2 1 242.407 1.966 20 0 BDADMP C[C@@H](CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290945 636132248 /nfs/dbraw/zinc/13/22/48/636132248.db2.gz WSCVSFCROKGOEA-QWHCGFSZSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290945 636132253 /nfs/dbraw/zinc/13/22/53/636132253.db2.gz WSCVSFCROKGOEA-QWHCGFSZSA-N 3 1 241.423 1.789 20 0 BDADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290945 636132256 /nfs/dbraw/zinc/13/22/56/636132256.db2.gz WSCVSFCROKGOEA-QWHCGFSZSA-N 3 1 241.423 1.789 20 0 BDADMP CSC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925504130 633832387 /nfs/dbraw/zinc/83/23/87/633832387.db2.gz MDLHPSDYAAULGS-BDAKNGLRSA-N 2 1 202.367 1.468 20 0 BDADMP CSCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925505450 633837112 /nfs/dbraw/zinc/83/71/12/633837112.db2.gz OQKVLCXDJSZQRX-SECBINFHSA-N 2 1 200.351 1.224 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000309229233 633869687 /nfs/dbraw/zinc/86/96/87/633869687.db2.gz IBYQUBVXWTWURI-NWDGAFQWSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000925525594 633904382 /nfs/dbraw/zinc/90/43/82/633904382.db2.gz DHAZXVWJPWLRFE-CHWSQXEVSA-N 2 1 240.391 1.659 20 0 BDADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000309734896 633997712 /nfs/dbraw/zinc/99/77/12/633997712.db2.gz CCWDOYQQCUEEGB-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000309734896 633997714 /nfs/dbraw/zinc/99/77/14/633997714.db2.gz CCWDOYQQCUEEGB-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000925555156 634022233 /nfs/dbraw/zinc/02/22/33/634022233.db2.gz FRPPXAHRGHPNDL-BFHYXJOUSA-N 2 1 249.402 1.330 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309983142 634025576 /nfs/dbraw/zinc/02/55/76/634025576.db2.gz IKGBFMJNNUWEDG-HZSPNIEDSA-N 2 1 238.375 1.175 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925561005 634040251 /nfs/dbraw/zinc/04/02/51/634040251.db2.gz YKBXFAZLBUGSIB-ZDUSSCGKSA-N 2 1 237.391 1.345 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000310040681 634103458 /nfs/dbraw/zinc/10/34/58/634103458.db2.gz XWXJDVQXQXLEHA-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CCC1 ZINC000310040681 634103460 /nfs/dbraw/zinc/10/34/60/634103460.db2.gz XWXJDVQXQXLEHA-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000310039927 634103479 /nfs/dbraw/zinc/10/34/79/634103479.db2.gz XKUWHMBOVVVNDC-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000310039927 634103482 /nfs/dbraw/zinc/10/34/82/634103482.db2.gz XKUWHMBOVVVNDC-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925611124 634150198 /nfs/dbraw/zinc/15/01/98/634150198.db2.gz KIPBZLOMYFYFBO-VXGBXAGGSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000310515371 634156263 /nfs/dbraw/zinc/15/62/63/634156263.db2.gz MHFGBSBXLNULJG-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)CCCCCCC[NH3+] ZINC000092633379 634201377 /nfs/dbraw/zinc/20/13/77/634201377.db2.gz RGFRIVPQOYXXPD-AWEZNQCLSA-N 2 1 241.423 1.922 20 0 BDADMP CN(CCCCCCC[NH3+])C[C@@H]1CCC[N@@H+]1C ZINC000092633379 634201379 /nfs/dbraw/zinc/20/13/79/634201379.db2.gz RGFRIVPQOYXXPD-AWEZNQCLSA-N 2 1 241.423 1.922 20 0 BDADMP CN(CCCCCCC[NH3+])C[C@@H]1CCC[N@H+]1C ZINC000092633379 634201382 /nfs/dbraw/zinc/20/13/82/634201382.db2.gz RGFRIVPQOYXXPD-AWEZNQCLSA-N 2 1 241.423 1.922 20 0 BDADMP OCCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925646711 634202610 /nfs/dbraw/zinc/20/26/10/634202610.db2.gz VGNARKYRWVDYMU-NSHDSACASA-N 2 1 224.348 1.023 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[NH2+][C@@H]1C ZINC000925676488 634265158 /nfs/dbraw/zinc/26/51/58/634265158.db2.gz MQERRNAVSQKQCI-MCIONIFRSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925678974 634273794 /nfs/dbraw/zinc/27/37/94/634273794.db2.gz GUDSOHPALVBXGD-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CCC=CO1 ZINC000193722976 634287121 /nfs/dbraw/zinc/28/71/21/634287121.db2.gz STIUSWUQRMWNKH-KBPBESRZSA-N 2 1 238.375 1.953 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@@H]1CCC=CO1 ZINC000193722976 634287125 /nfs/dbraw/zinc/28/71/25/634287125.db2.gz STIUSWUQRMWNKH-KBPBESRZSA-N 2 1 238.375 1.953 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@@H]1CCC=CO1 ZINC000193722976 634287129 /nfs/dbraw/zinc/28/71/29/634287129.db2.gz STIUSWUQRMWNKH-KBPBESRZSA-N 2 1 238.375 1.953 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)nc1 ZINC000925684249 634294601 /nfs/dbraw/zinc/29/46/01/634294601.db2.gz FXNSLGXQOIDJOZ-CYBMUJFWSA-N 2 1 233.359 1.663 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925687035 634302492 /nfs/dbraw/zinc/30/24/92/634302492.db2.gz YRKDMBZSWQHEGO-XVZUFCMUSA-N 2 1 236.359 1.140 20 0 BDADMP COCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CCCC1 ZINC000925688105 634305627 /nfs/dbraw/zinc/30/56/27/634305627.db2.gz BOGFDOQPZZXFSD-STQMWFEESA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ncc[nH]1 ZINC000925689522 634309366 /nfs/dbraw/zinc/30/93/66/634309366.db2.gz BATRTMZEAWNPCV-LLVKDONJSA-N 2 1 244.342 1.762 20 0 BDADMP COC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523825 634346387 /nfs/dbraw/zinc/34/63/87/634346387.db2.gz DKTIHLPDDWBLLX-YEJSDXFRSA-N 2 1 212.337 1.236 20 0 BDADMP C(C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[NH2+]C1CC1 ZINC000925695333 634346531 /nfs/dbraw/zinc/34/65/31/634346531.db2.gz VTYCUGSSWVRHDG-OUCADQQQSA-N 2 1 238.375 1.533 20 0 BDADMP C[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925701438 634374629 /nfs/dbraw/zinc/37/46/29/634374629.db2.gz ZMGAMRMLHGZKHK-FVCCEPFGSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@H]1CCC[NH2+]1 ZINC000925775068 635242156 /nfs/dbraw/zinc/24/21/56/635242156.db2.gz ZWFRGLBXGHTYLS-JHJVBQTASA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000925782753 635280309 /nfs/dbraw/zinc/28/03/09/635280309.db2.gz AJCISLDNUXUZRM-KWCYVHTRSA-N 2 1 245.370 1.904 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=[NH2+])NC(C)(C)C ZINC000054108808 635388464 /nfs/dbraw/zinc/38/84/64/635388464.db2.gz LRTSVDCTMQPMLK-UHFFFAOYSA-N 2 1 214.357 1.239 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925860463 635553391 /nfs/dbraw/zinc/55/33/91/635553391.db2.gz YRVWZPCCCXBBHW-VXGBXAGGSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)CO ZINC000925010634 635846725 /nfs/dbraw/zinc/84/67/25/635846725.db2.gz NAQSVJFUZHJSJK-NWDGAFQWSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC(CCO)C2)CC[N@@H+]1C ZINC000898009939 636850771 /nfs/dbraw/zinc/85/07/71/636850771.db2.gz CBOFZMRQGOKCJF-GMKTYKIGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC(CCO)C2)CC[N@H+]1C ZINC000898009939 636850776 /nfs/dbraw/zinc/85/07/76/636850776.db2.gz CBOFZMRQGOKCJF-GMKTYKIGSA-N 2 1 226.364 1.220 20 0 BDADMP OCCC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000898010338 636852261 /nfs/dbraw/zinc/85/22/61/636852261.db2.gz JDUGUFFTDFCBOM-UHFFFAOYSA-N 2 1 238.375 1.364 20 0 BDADMP CC1(C)CCNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000866699984 636931125 /nfs/dbraw/zinc/93/11/25/636931125.db2.gz YBMFLGGWBFAJAT-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP CC1(C)CC[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000866699984 636931133 /nfs/dbraw/zinc/93/11/33/636931133.db2.gz YBMFLGGWBFAJAT-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CCCCCC[NH3+])CC[C@H]21 ZINC000866703051 636932273 /nfs/dbraw/zinc/93/22/73/636932273.db2.gz FBQJBXSEHSRPOW-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCC[NH3+])CC[C@H]21 ZINC000866703051 636932277 /nfs/dbraw/zinc/93/22/77/636932277.db2.gz FBQJBXSEHSRPOW-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCC[NH3+])CC[C@H]21 ZINC000866703051 636932286 /nfs/dbraw/zinc/93/22/86/636932286.db2.gz FBQJBXSEHSRPOW-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCC[NH3+])CC[C@H]21 ZINC000866703051 636932292 /nfs/dbraw/zinc/93/22/92/636932292.db2.gz FBQJBXSEHSRPOW-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCC[NH3+])CC[C@H]21 ZINC000866703051 636932298 /nfs/dbraw/zinc/93/22/98/636932298.db2.gz FBQJBXSEHSRPOW-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CCSC1)C[NH+](C)C ZINC000926965148 636975545 /nfs/dbraw/zinc/97/55/45/636975545.db2.gz PYQMLFPVTMYHRJ-QWRGUYRKSA-N 2 1 232.393 1.048 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C)CC)C[NH+](C)C ZINC000926966844 636978759 /nfs/dbraw/zinc/97/87/59/636978759.db2.gz YKHREESUFGYTPX-QWRGUYRKSA-N 2 1 202.342 1.341 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)c1ccnnc1)C[NH+]1CCCC1 ZINC000924713380 637023954 /nfs/dbraw/zinc/02/39/54/637023954.db2.gz DFZXLCBSAWNQPC-OLZOCXBDSA-N 2 1 248.374 1.859 20 0 BDADMP COCC[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000042458770 637259388 /nfs/dbraw/zinc/25/93/88/637259388.db2.gz CHLSOBWZIWLFSI-UHFFFAOYSA-N 2 1 200.326 1.226 20 0 BDADMP COCC[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000042458770 637259395 /nfs/dbraw/zinc/25/93/95/637259395.db2.gz CHLSOBWZIWLFSI-UHFFFAOYSA-N 2 1 200.326 1.226 20 0 BDADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000903564992 637371411 /nfs/dbraw/zinc/37/14/11/637371411.db2.gz BOJHZLOSXMIYGW-NSHDSACASA-N 2 1 214.353 1.615 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722631 637379285 /nfs/dbraw/zinc/37/92/85/637379285.db2.gz BZNHIEZUUHRHLZ-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000903725363 637379553 /nfs/dbraw/zinc/37/95/53/637379553.db2.gz YYQONYUWFGLWTK-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722634 637379850 /nfs/dbraw/zinc/37/98/50/637379850.db2.gz BZNHIEZUUHRHLZ-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724889 637380131 /nfs/dbraw/zinc/38/01/31/637380131.db2.gz RZIWTJQCDOUZMC-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903788223 637381793 /nfs/dbraw/zinc/38/17/93/637381793.db2.gz GKRVETWAQGIKFM-KBPBESRZSA-N 2 1 240.391 1.613 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903788977 637384404 /nfs/dbraw/zinc/38/44/04/637384404.db2.gz SIUCHHSFHZGYNV-LLVKDONJSA-N 2 1 240.326 1.023 20 0 BDADMP FCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903866422 637386829 /nfs/dbraw/zinc/38/68/29/637386829.db2.gz JAECZQIVWVILLM-GFCCVEGCSA-N 2 1 214.328 1.954 20 0 BDADMP FCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903866422 637386834 /nfs/dbraw/zinc/38/68/34/637386834.db2.gz JAECZQIVWVILLM-GFCCVEGCSA-N 2 1 214.328 1.954 20 0 BDADMP Cc1ccc(CCC[NH2+][C@H]2C[NH2+]CC2(C)C)cn1 ZINC000904463482 637407078 /nfs/dbraw/zinc/40/70/78/637407078.db2.gz VUGMGUHXPFCGPO-AWEZNQCLSA-N 2 1 247.386 1.910 20 0 BDADMP CC(C)[N@H+](C)Cc1cn(CCCCC[NH3+])nn1 ZINC000905057274 637593848 /nfs/dbraw/zinc/59/38/48/637593848.db2.gz ORGWTKOKCPZAOI-UHFFFAOYSA-N 2 1 239.367 1.247 20 0 BDADMP CC(C)[N@@H+](C)Cc1cn(CCCCC[NH3+])nn1 ZINC000905057274 637593858 /nfs/dbraw/zinc/59/38/58/637593858.db2.gz ORGWTKOKCPZAOI-UHFFFAOYSA-N 2 1 239.367 1.247 20 0 BDADMP C[N@@H+](Cc1cn([C@@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000905058509 637593880 /nfs/dbraw/zinc/59/38/80/637593880.db2.gz ISOARWWEWDQAGD-LLVKDONJSA-N 2 1 237.351 1.043 20 0 BDADMP [NH3+][C@@H](Cc1nc(C2([NH3+])CC2)no1)c1ccccc1 ZINC000905314370 637742087 /nfs/dbraw/zinc/74/20/87/637742087.db2.gz HSKHSKLIAWMBBQ-JTQLQIEISA-N 2 1 244.298 1.260 20 0 BDADMP [NH3+]Cc1ccc(-c2nc(C3([NH3+])CC3)no2)cc1 ZINC000905319200 637744370 /nfs/dbraw/zinc/74/43/70/637744370.db2.gz VGFUUSANGKUEHX-UHFFFAOYSA-N 2 1 230.271 1.143 20 0 BDADMP CCC(N)=[NH+]OCC[C@H]1CCCC[N@H+]1C ZINC000906498386 638174514 /nfs/dbraw/zinc/17/45/14/638174514.db2.gz ABVIYYFSFCQERK-SNVBAGLBSA-N 2 1 213.325 1.769 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC000906508763 638181759 /nfs/dbraw/zinc/18/17/59/638181759.db2.gz YZXGFKKZPMBTEM-XYPYZODXSA-N 2 1 234.299 1.037 20 0 BDADMP CC(C)n1nccc1C[NH2+]C1CC([NH3+])C1 ZINC000906511475 638186197 /nfs/dbraw/zinc/18/61/97/638186197.db2.gz VWZGOKLWGUXVBI-UHFFFAOYSA-N 2 1 208.309 1.043 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2scnc2C2CC2)C1 ZINC000906519250 638187780 /nfs/dbraw/zinc/18/77/80/638187780.db2.gz WLGGCKBMLNUKFX-KYZUINATSA-N 2 1 223.345 1.600 20 0 BDADMP CCCC[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000906530099 638191825 /nfs/dbraw/zinc/19/18/25/638191825.db2.gz YWELREBRSPFILT-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)O1 ZINC000149779706 639136456 /nfs/dbraw/zinc/13/64/56/639136456.db2.gz HBLFLKWNDHSNAF-YWPUVAFDSA-N 2 1 226.364 1.756 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931038482 640033641 /nfs/dbraw/zinc/03/36/41/640033641.db2.gz RPAJRLHOEDIIQD-AAEUAGOBSA-N 2 1 236.363 1.216 20 0 BDADMP CCC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436280 640201120 /nfs/dbraw/zinc/20/11/20/640201120.db2.gz GLIUSNWWGOXYPE-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436280 640201124 /nfs/dbraw/zinc/20/11/24/640201124.db2.gz GLIUSNWWGOXYPE-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436280 640201128 /nfs/dbraw/zinc/20/11/28/640201128.db2.gz GLIUSNWWGOXYPE-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CCO1 ZINC000931441033 640206219 /nfs/dbraw/zinc/20/62/19/640206219.db2.gz APHGLGONNHDNIP-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439235 640206087 /nfs/dbraw/zinc/20/60/87/640206087.db2.gz NLBAYLQYJFZGPD-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP CCSCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439235 640206093 /nfs/dbraw/zinc/20/60/93/640206093.db2.gz NLBAYLQYJFZGPD-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP CCSCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439235 640206098 /nfs/dbraw/zinc/20/60/98/640206098.db2.gz NLBAYLQYJFZGPD-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CCO1 ZINC000931441033 640206215 /nfs/dbraw/zinc/20/62/15/640206215.db2.gz APHGLGONNHDNIP-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CCO1 ZINC000931441033 640206227 /nfs/dbraw/zinc/20/62/27/640206227.db2.gz APHGLGONNHDNIP-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP Nc1ccnc2c1C[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000931512357 640242989 /nfs/dbraw/zinc/24/29/89/640242989.db2.gz XNKMFECDNFQCJW-JTQLQIEISA-N 2 1 233.315 1.058 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000931512357 640243000 /nfs/dbraw/zinc/24/30/00/640243000.db2.gz XNKMFECDNFQCJW-JTQLQIEISA-N 2 1 233.315 1.058 20 0 BDADMP COC/C(C)=C\CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931547803 640265468 /nfs/dbraw/zinc/26/54/68/640265468.db2.gz SXSUORBFYONINC-RHHBVARJSA-N 2 1 238.375 1.605 20 0 BDADMP OCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000224780552 640642160 /nfs/dbraw/zinc/64/21/60/640642160.db2.gz LWHDFAATPMXIRW-ZIAGYGMSSA-N 2 1 240.391 1.756 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCCCF)C[C@]2(C)C1 ZINC000933731463 640752992 /nfs/dbraw/zinc/75/29/92/640752992.db2.gz ANIXUDSUQLPAHA-NEPJUHHUSA-N 2 1 214.328 1.620 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCCF)C[C@]2(C)C1 ZINC000933731463 640752995 /nfs/dbraw/zinc/75/29/95/640752995.db2.gz ANIXUDSUQLPAHA-NEPJUHHUSA-N 2 1 214.328 1.620 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCF)C[C@]2(C)C1 ZINC000933731463 640752999 /nfs/dbraw/zinc/75/29/99/640752999.db2.gz ANIXUDSUQLPAHA-NEPJUHHUSA-N 2 1 214.328 1.620 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000933733006 640756447 /nfs/dbraw/zinc/75/64/47/640756447.db2.gz YKUHYONWDXFXJR-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000933733006 640756452 /nfs/dbraw/zinc/75/64/52/640756452.db2.gz YKUHYONWDXFXJR-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000933733006 640756457 /nfs/dbraw/zinc/75/64/57/640756457.db2.gz YKUHYONWDXFXJR-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734492 640759217 /nfs/dbraw/zinc/75/92/17/640759217.db2.gz UGGXATAVBLLIHV-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734492 640759221 /nfs/dbraw/zinc/75/92/21/640759221.db2.gz UGGXATAVBLLIHV-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000933734492 640759225 /nfs/dbraw/zinc/75/92/25/640759225.db2.gz UGGXATAVBLLIHV-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000933734492 640759231 /nfs/dbraw/zinc/75/92/31/640759231.db2.gz UGGXATAVBLLIHV-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226418968 640762568 /nfs/dbraw/zinc/76/25/68/640762568.db2.gz XBRPMDBFXRSKGG-GFCCVEGCSA-N 2 1 214.353 1.210 20 0 BDADMP C[N@@H+](CCCCCCO)CC(C)(C)C[NH3+] ZINC000226429281 640764030 /nfs/dbraw/zinc/76/40/30/640764030.db2.gz MDHPHOQZNCCDLP-UHFFFAOYSA-N 2 1 216.369 1.456 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000062053788 641016059 /nfs/dbraw/zinc/01/60/59/641016059.db2.gz UYICBWAZODNUTO-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000062053788 641016063 /nfs/dbraw/zinc/01/60/63/641016063.db2.gz UYICBWAZODNUTO-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000230314085 641046653 /nfs/dbraw/zinc/04/66/53/641046653.db2.gz JBXNIGCPVRZBTO-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@H+](C)CCCc1c[nH+]cn1C ZINC000934110367 641072921 /nfs/dbraw/zinc/07/29/21/641072921.db2.gz ZEIGPNVMFNCRBC-STQMWFEESA-N 2 1 237.347 1.462 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCCc1c[nH+]cn1C ZINC000934110367 641072931 /nfs/dbraw/zinc/07/29/31/641072931.db2.gz ZEIGPNVMFNCRBC-STQMWFEESA-N 2 1 237.347 1.462 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@H+](C)CCCc1c[nH+]cn1C ZINC000934110363 641074001 /nfs/dbraw/zinc/07/40/01/641074001.db2.gz ZEIGPNVMFNCRBC-CHWSQXEVSA-N 2 1 237.347 1.462 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCCc1c[nH+]cn1C ZINC000934110363 641074010 /nfs/dbraw/zinc/07/40/10/641074010.db2.gz ZEIGPNVMFNCRBC-CHWSQXEVSA-N 2 1 237.347 1.462 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CCOCC[NH2+]C ZINC000723058057 711498370 /nfs/dbraw/zinc/49/83/70/711498370.db2.gz WNTGOOHSXZMRNN-NEPJUHHUSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000934621801 641217721 /nfs/dbraw/zinc/21/77/21/641217721.db2.gz MBVNGFURUVXMBA-MRVWCRGKSA-N 2 1 238.375 1.386 20 0 BDADMP C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000934621801 641217726 /nfs/dbraw/zinc/21/77/26/641217726.db2.gz MBVNGFURUVXMBA-MRVWCRGKSA-N 2 1 238.375 1.386 20 0 BDADMP C[N@H+](C[C@@H](O)CC1CCCC1)[C@@H](C[NH3+])C1CC1 ZINC000232148849 641248681 /nfs/dbraw/zinc/24/86/81/641248681.db2.gz BSXSLTUYOSJKAO-KBPBESRZSA-N 2 1 240.391 1.597 20 0 BDADMP C[N@@H+](C[C@@H](O)CC1CCCC1)[C@@H](C[NH3+])C1CC1 ZINC000232148849 641248692 /nfs/dbraw/zinc/24/86/92/641248692.db2.gz BSXSLTUYOSJKAO-KBPBESRZSA-N 2 1 240.391 1.597 20 0 BDADMP CC[NH+]1CCN(CCCC[NH2+]CC(C)C)CC1 ZINC000047892525 641665208 /nfs/dbraw/zinc/66/52/08/641665208.db2.gz YBIAWNKQGYOBOY-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP C[N@H+](C[C@H](O)CC(F)(F)F)C1(C[NH3+])CCC1 ZINC000307936745 642349736 /nfs/dbraw/zinc/34/97/36/642349736.db2.gz JDFVUBWRXOELHS-MRVPVSSYSA-N 2 1 240.269 1.113 20 0 BDADMP C[N@@H+](C[C@H](O)CC(F)(F)F)C1(C[NH3+])CCC1 ZINC000307936745 642349748 /nfs/dbraw/zinc/34/97/48/642349748.db2.gz JDFVUBWRXOELHS-MRVPVSSYSA-N 2 1 240.269 1.113 20 0 BDADMP c1cn(CCC[N@H+]2CCOC[C@H]2CC2CC2)cn1 ZINC000933209743 642390208 /nfs/dbraw/zinc/39/02/08/642390208.db2.gz FAJTZJMEMPGVNW-CQSZACIVSA-N 2 1 249.358 1.774 20 0 BDADMP C[N@@H+](C[C@H](O)C1CC1)CC1CC[NH+](C)CC1 ZINC000068909557 642808849 /nfs/dbraw/zinc/80/88/49/642808849.db2.gz YSCTXUSOTDLBQU-ZDUSSCGKSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353500710 642858044 /nfs/dbraw/zinc/85/80/44/642858044.db2.gz XLNAVGLSKZJYCN-LBPRGKRZSA-N 2 1 236.363 1.719 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2(C)OCCO2)CC[N@H+]1C ZINC000183894621 643179397 /nfs/dbraw/zinc/17/93/97/643179397.db2.gz NJQPPFKETHMTLK-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000082560800 643343369 /nfs/dbraw/zinc/34/33/69/643343369.db2.gz KRMDRWNRZGMWKM-WOPDTQHZSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000082560800 643343373 /nfs/dbraw/zinc/34/33/73/643343373.db2.gz KRMDRWNRZGMWKM-WOPDTQHZSA-N 2 1 226.364 1.341 20 0 BDADMP C[N@@H+](CCc1cccs1)C1CC[NH2+]CC1 ZINC000082602682 643352865 /nfs/dbraw/zinc/35/28/65/643352865.db2.gz VSJPGWSMYKKHDB-UHFFFAOYSA-N 2 1 224.373 1.974 20 0 BDADMP CC[C@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234091421 643469813 /nfs/dbraw/zinc/46/98/13/643469813.db2.gz GHJAJSHAPDNFJY-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H]1CO[C@H](C)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234091421 643469818 /nfs/dbraw/zinc/46/98/18/643469818.db2.gz GHJAJSHAPDNFJY-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000307508045 643489608 /nfs/dbraw/zinc/48/96/08/643489608.db2.gz ANTOKTNSQLIPMF-XWLWVQCSSA-N 2 1 214.378 1.611 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050245489 643661186 /nfs/dbraw/zinc/66/11/86/643661186.db2.gz LINHWOKPBSOVAR-ZDUSSCGKSA-N 2 1 234.343 1.866 20 0 BDADMP CCc1cnc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000234252184 643688996 /nfs/dbraw/zinc/68/89/96/643688996.db2.gz IRPWUYDDGDUUIR-GXSJLCMTSA-N 2 1 239.388 1.923 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000050368961 643691059 /nfs/dbraw/zinc/69/10/59/643691059.db2.gz XDXCGSTYULHONR-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000050372551 643693869 /nfs/dbraw/zinc/69/38/69/643693869.db2.gz CUFQHCQXPASWII-NWDGAFQWSA-N 2 1 223.320 1.349 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000085869312 643823979 /nfs/dbraw/zinc/82/39/79/643823979.db2.gz UQYZRDHNFCILIQ-UNXYVOJBSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H](CC[NH2+]Cc1ccncc1N)[NH+](C)C ZINC000922254415 643925368 /nfs/dbraw/zinc/92/53/68/643925368.db2.gz JZDJNMCWLJQCRX-JTQLQIEISA-N 2 1 222.336 1.094 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C)CC(C)C)C[NH+](C)C ZINC000922756532 644087116 /nfs/dbraw/zinc/08/71/16/644087116.db2.gz KQUMLILCHKTLRE-STQMWFEESA-N 2 1 230.396 1.977 20 0 BDADMP [NH3+]C[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000086839792 644186101 /nfs/dbraw/zinc/18/61/01/644186101.db2.gz UDNGFUADRNVFKY-QMMMGPOBSA-N 2 1 211.696 1.520 20 0 BDADMP COC[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000081051447 644304247 /nfs/dbraw/zinc/30/42/47/644304247.db2.gz SBPJLSLOSYTOPE-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282421 644313434 /nfs/dbraw/zinc/31/34/34/644313434.db2.gz VVFUGGRFYZOBGS-STQMWFEESA-N 2 1 228.380 1.454 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000923280258 644315811 /nfs/dbraw/zinc/31/58/11/644315811.db2.gz FZHUCMCOPMAUFN-TZMCWYRMSA-N 2 1 234.343 1.309 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000923285124 644317621 /nfs/dbraw/zinc/31/76/21/644317621.db2.gz ABHPJBUVBLSZQT-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000923291435 644317640 /nfs/dbraw/zinc/31/76/40/644317640.db2.gz SGYSPEZMXQWBAF-YUELXQCFSA-N 2 1 248.370 1.259 20 0 BDADMP CCCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299969 644325134 /nfs/dbraw/zinc/32/51/34/644325134.db2.gz KHWRNOZVBZINSX-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CCCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299968 644326930 /nfs/dbraw/zinc/32/69/30/644326930.db2.gz KHWRNOZVBZINSX-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294984 644333273 /nfs/dbraw/zinc/33/32/73/644333273.db2.gz RYAUAVXNNJNLTB-LBPRGKRZSA-N 2 1 230.396 1.700 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314592 644339894 /nfs/dbraw/zinc/33/98/94/644339894.db2.gz BGDKWBOFJONQDX-JHJVBQTASA-N 2 1 238.375 1.485 20 0 BDADMP C(C[NH2+]C1CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000923305183 644340457 /nfs/dbraw/zinc/34/04/57/644340457.db2.gz VBGINPCFZCGEQL-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](CCCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313025 644340721 /nfs/dbraw/zinc/34/07/21/644340721.db2.gz BBSDATZACXGLMI-AGUYFDCRSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315967 644344002 /nfs/dbraw/zinc/34/40/02/644344002.db2.gz AEVARYZDGBIKRR-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP OCCCC[N@@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000923315338 644344877 /nfs/dbraw/zinc/34/48/77/644344877.db2.gz HZBPVNTTXIKOJB-UHFFFAOYSA-N 2 1 226.364 1.365 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348591 644360524 /nfs/dbraw/zinc/36/05/24/644360524.db2.gz IIAPJZBVFKQCOZ-KBPBESRZSA-N 2 1 242.407 1.844 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348593 644360761 /nfs/dbraw/zinc/36/07/61/644360761.db2.gz IIAPJZBVFKQCOZ-UONOGXRCSA-N 2 1 242.407 1.844 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923355804 644373418 /nfs/dbraw/zinc/37/34/18/644373418.db2.gz OGIAGOAKHYNXBF-CABCVRRESA-N 2 1 248.370 1.261 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923369580 644380332 /nfs/dbraw/zinc/38/03/32/644380332.db2.gz LGILNBPWNMXHFB-NEPJUHHUSA-N 2 1 230.396 1.747 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923369683 644380384 /nfs/dbraw/zinc/38/03/84/644380384.db2.gz LGILNBPWNMXHFB-VXGBXAGGSA-N 2 1 230.396 1.747 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362194 644385589 /nfs/dbraw/zinc/38/55/89/644385589.db2.gz LDENVJFFRQRXKV-LBPRGKRZSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362194 644385595 /nfs/dbraw/zinc/38/55/95/644385595.db2.gz LDENVJFFRQRXKV-LBPRGKRZSA-N 2 1 228.380 1.597 20 0 BDADMP CCC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923373077 644390195 /nfs/dbraw/zinc/39/01/95/644390195.db2.gz LPIUPIXBAYMFSA-GFCCVEGCSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000923377853 644391531 /nfs/dbraw/zinc/39/15/31/644391531.db2.gz QGGCUGQLXQDDKU-CYBMUJFWSA-N 2 1 240.322 1.400 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000923377853 644391533 /nfs/dbraw/zinc/39/15/33/644391533.db2.gz QGGCUGQLXQDDKU-CYBMUJFWSA-N 2 1 240.322 1.400 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923415874 644409983 /nfs/dbraw/zinc/40/99/83/644409983.db2.gz RZQBWLDUNOYSMY-AAEUAGOBSA-N 2 1 228.380 1.454 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923428695 644422627 /nfs/dbraw/zinc/42/26/27/644422627.db2.gz QGWOPYODMRKVCZ-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](CCO)C1)C1CCCC1 ZINC000923428711 644422794 /nfs/dbraw/zinc/42/27/94/644422794.db2.gz YVEFIIVHZLFMCJ-GXTWGEPZSA-N 2 1 240.391 1.598 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCc1c[nH+]cn1C ZINC000923435591 644428152 /nfs/dbraw/zinc/42/81/52/644428152.db2.gz JAFPDDASQRKAGQ-SDDRHHMPSA-N 2 1 236.363 1.033 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C1CC1 ZINC000923480860 644458236 /nfs/dbraw/zinc/45/82/36/644458236.db2.gz KTZUBCFXKFYOQU-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480426 644460355 /nfs/dbraw/zinc/46/03/55/644460355.db2.gz YHJHPWFGYPHTIT-KGLIPLIRSA-N 2 1 242.407 1.988 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000923495537 644463127 /nfs/dbraw/zinc/46/31/27/644463127.db2.gz BZFJDAHFQANYCJ-OLZOCXBDSA-N 2 1 233.359 1.807 20 0 BDADMP CCCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484817 644463675 /nfs/dbraw/zinc/46/36/75/644463675.db2.gz NRASMPWUICGSJV-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C1CCC1 ZINC000923488931 644464637 /nfs/dbraw/zinc/46/46/37/644464637.db2.gz IFISRAFHWNFFLO-IACUBPJLSA-N 2 1 240.391 1.718 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490291 644464905 /nfs/dbraw/zinc/46/49/05/644464905.db2.gz MINIEARGFDZINX-QWHCGFSZSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2ccncc2)CC[C@H]1C[NH3+] ZINC000923492728 644468079 /nfs/dbraw/zinc/46/80/79/644468079.db2.gz CIMJNLROHRKUMR-HIFRSBDPSA-N 2 1 247.386 1.931 20 0 BDADMP Clc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086725106 644468248 /nfs/dbraw/zinc/46/82/48/644468248.db2.gz IWOLIUZLHLCYEJ-LBPRGKRZSA-N 2 1 224.735 1.834 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923492127 644468350 /nfs/dbraw/zinc/46/83/50/644468350.db2.gz WCQBAUJOMBFRTJ-OCCSQVGLSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923493198 644468922 /nfs/dbraw/zinc/46/89/22/644468922.db2.gz FJSALJXBATUUCV-QWHCGFSZSA-N 3 1 227.396 1.422 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2)CC[C@@H]1C[NH3+] ZINC000923497104 644469678 /nfs/dbraw/zinc/46/96/78/644469678.db2.gz KYXKCZDABBRVBD-DGCLKSJQSA-N 2 1 219.332 1.498 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502570 644470424 /nfs/dbraw/zinc/47/04/24/644470424.db2.gz CASQSXVWFDLHNS-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1C[NH3+] ZINC000923496927 644470594 /nfs/dbraw/zinc/47/05/94/644470594.db2.gz CRCDCKUOODEQQP-VHSXEESVSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499405 644472110 /nfs/dbraw/zinc/47/21/10/644472110.db2.gz KIJXZCVSNFQDNU-KOLCDFICSA-N 2 1 239.388 1.868 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923500258 644473480 /nfs/dbraw/zinc/47/34/80/644473480.db2.gz MWNHBKZQTJTHKP-TZMCWYRMSA-N 2 1 233.359 1.541 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923508643 644477433 /nfs/dbraw/zinc/47/74/33/644477433.db2.gz KXQXNEFRXHFIFV-JHJVBQTASA-N 2 1 228.380 1.597 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923522652 644486305 /nfs/dbraw/zinc/48/63/05/644486305.db2.gz XEEHXQFRCFZASC-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923522652 644486316 /nfs/dbraw/zinc/48/63/16/644486316.db2.gz XEEHXQFRCFZASC-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc1 ZINC000923522292 644486540 /nfs/dbraw/zinc/48/65/40/644486540.db2.gz RNVTZPHZYLSIBB-QWHCGFSZSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc1 ZINC000923522292 644486545 /nfs/dbraw/zinc/48/65/45/644486545.db2.gz RNVTZPHZYLSIBB-QWHCGFSZSA-N 2 1 231.343 1.431 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923548931 644495787 /nfs/dbraw/zinc/49/57/87/644495787.db2.gz CKUFCHYEAWOISX-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)O ZINC000322728709 644523348 /nfs/dbraw/zinc/52/33/48/644523348.db2.gz SVTNVVICCWNZIV-YEJSDXFRSA-N 2 1 226.364 1.361 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)OCCO2)[C@@H](C)C1 ZINC000245620394 644532885 /nfs/dbraw/zinc/53/28/85/644532885.db2.gz WNTLGBRHQVUBCP-NWDGAFQWSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)OCCO2)[C@@H](C)C1 ZINC000245620394 644532888 /nfs/dbraw/zinc/53/28/88/644532888.db2.gz WNTLGBRHQVUBCP-NWDGAFQWSA-N 2 1 242.363 1.069 20 0 BDADMP CCc1cc(N[C@H]2CCC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000089106200 644534074 /nfs/dbraw/zinc/53/40/74/644534074.db2.gz VDYVVMOLUYYSTR-JQWIXIFHSA-N 2 1 234.347 1.887 20 0 BDADMP CCN1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089145445 644535577 /nfs/dbraw/zinc/53/55/77/644535577.db2.gz NRRQAJIYAFLUQJ-OCCSQVGLSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248880297 644704843 /nfs/dbraw/zinc/70/48/43/644704843.db2.gz SEKVQVWPQIWMOD-SDDRHHMPSA-N 2 1 241.379 1.055 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250222951 644748892 /nfs/dbraw/zinc/74/88/92/644748892.db2.gz DZVFFIFHZLQMPS-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250222951 644748898 /nfs/dbraw/zinc/74/88/98/644748898.db2.gz DZVFFIFHZLQMPS-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250222951 644748905 /nfs/dbraw/zinc/74/89/05/644748905.db2.gz DZVFFIFHZLQMPS-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CC[C@H]1CCCO1 ZINC000250714632 644775925 /nfs/dbraw/zinc/77/59/25/644775925.db2.gz GWISWGPXPDECLT-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1CC[C@H]1CCCO1 ZINC000250714632 644775931 /nfs/dbraw/zinc/77/59/31/644775931.db2.gz GWISWGPXPDECLT-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1cc[nH+]c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252563061 644865604 /nfs/dbraw/zinc/86/56/04/644865604.db2.gz XDUBJENYUOSWKY-QWHCGFSZSA-N 2 1 247.342 1.665 20 0 BDADMP Cc1cc[nH+]c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252563061 644865608 /nfs/dbraw/zinc/86/56/08/644865608.db2.gz XDUBJENYUOSWKY-QWHCGFSZSA-N 2 1 247.342 1.665 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCCCCCC[NH3+] ZINC000843391767 645288618 /nfs/dbraw/zinc/28/86/18/645288618.db2.gz YXFRWLIWFCBRDI-CHWSQXEVSA-N 2 1 228.380 1.741 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1COC[C@@H]1C ZINC000926644650 645330811 /nfs/dbraw/zinc/33/08/11/645330811.db2.gz IAIJHHBJMKQQJP-STQMWFEESA-N 2 1 228.380 1.589 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000926645771 645330952 /nfs/dbraw/zinc/33/09/52/645330952.db2.gz RMZRVSMNGYIGKT-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000844922743 645348115 /nfs/dbraw/zinc/34/81/15/645348115.db2.gz DVVSTNBFYLFNDE-LLVKDONJSA-N 2 1 244.342 1.980 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC(=O)O2)CC[N@@H+]1C ZINC000851796303 645468966 /nfs/dbraw/zinc/46/89/66/645468966.db2.gz AOAOYVOYPXKJFN-GRYCIOLGSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC(=O)O2)CC[N@H+]1C ZINC000851796303 645468970 /nfs/dbraw/zinc/46/89/70/645468970.db2.gz AOAOYVOYPXKJFN-GRYCIOLGSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC(=O)O2)CC[NH+]1C ZINC000851796303 645468976 /nfs/dbraw/zinc/46/89/76/645468976.db2.gz AOAOYVOYPXKJFN-GRYCIOLGSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC(=O)O2)CC[NH+]1C ZINC000851796303 645468987 /nfs/dbraw/zinc/46/89/87/645468987.db2.gz AOAOYVOYPXKJFN-GRYCIOLGSA-N 2 1 240.347 1.107 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C)C(C)(C)C)C[NH+](C)C ZINC000926960659 645498921 /nfs/dbraw/zinc/49/89/21/645498921.db2.gz GCCKODHCKUOWKQ-RYUDHWBXSA-N 2 1 230.396 1.977 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000925482362 645865918 /nfs/dbraw/zinc/86/59/18/645865918.db2.gz QVOXABCZBOCKQS-GHMZBOCLSA-N 2 1 212.337 1.286 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCSC(F)(F)F ZINC000925484208 645921487 /nfs/dbraw/zinc/92/14/87/645921487.db2.gz CNACAGAIDYVXEK-SSDOTTSWSA-N 2 1 242.310 1.970 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCCC1 ZINC000924535817 646054013 /nfs/dbraw/zinc/05/40/13/646054013.db2.gz SYYNYGWNFPSKBL-QYJAPNMZSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924616683 646079128 /nfs/dbraw/zinc/07/91/28/646079128.db2.gz FMJDBTJEFXCBFB-WDNDVIMCSA-N 2 1 242.407 1.977 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C1(Cl)CC1 ZINC000924654312 646086869 /nfs/dbraw/zinc/08/68/69/646086869.db2.gz BJYKCEGDQPZYIU-LLVKDONJSA-N 2 1 248.798 1.704 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924755414 646102758 /nfs/dbraw/zinc/10/27/58/646102758.db2.gz WFNYKZBEKRSETI-OLZOCXBDSA-N 2 1 248.374 1.859 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924755414 646102761 /nfs/dbraw/zinc/10/27/61/646102761.db2.gz WFNYKZBEKRSETI-OLZOCXBDSA-N 2 1 248.374 1.859 20 0 BDADMP C[N@H+]1CCC[C@H]1CNC1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000924790462 646107254 /nfs/dbraw/zinc/10/72/54/646107254.db2.gz HLTFHBLXFPQRAW-WJLOJVBCSA-N 2 1 237.391 1.010 20 0 BDADMP C[NH+]1CCC[C@H]1CNC1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000924790462 646107258 /nfs/dbraw/zinc/10/72/58/646107258.db2.gz HLTFHBLXFPQRAW-WJLOJVBCSA-N 2 1 237.391 1.010 20 0 BDADMP C[NH+]1CCC[C@H]1CNC1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000924790462 646107263 /nfs/dbraw/zinc/10/72/63/646107263.db2.gz HLTFHBLXFPQRAW-WJLOJVBCSA-N 2 1 237.391 1.010 20 0 BDADMP CN1CCC[C@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000924790462 646107269 /nfs/dbraw/zinc/10/72/69/646107269.db2.gz HLTFHBLXFPQRAW-WJLOJVBCSA-N 2 1 237.391 1.010 20 0 BDADMP CN1CCC[C@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000924790462 646107274 /nfs/dbraw/zinc/10/72/74/646107274.db2.gz HLTFHBLXFPQRAW-WJLOJVBCSA-N 2 1 237.391 1.010 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924915253 646131991 /nfs/dbraw/zinc/13/19/91/646131991.db2.gz FIQVGIXYNVDGNZ-UPJWGTAASA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924915253 646131994 /nfs/dbraw/zinc/13/19/94/646131994.db2.gz FIQVGIXYNVDGNZ-UPJWGTAASA-N 2 1 242.407 1.977 20 0 BDADMP COC/C(C)=C/C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637263 646209384 /nfs/dbraw/zinc/20/93/84/646209384.db2.gz GAHXWTVOVVDKMV-YQJFHSMKSA-N 2 1 226.364 1.463 20 0 BDADMP COC/C(C)=C/C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637263 646209390 /nfs/dbraw/zinc/20/93/90/646209390.db2.gz GAHXWTVOVVDKMV-YQJFHSMKSA-N 2 1 226.364 1.463 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925479585 646292152 /nfs/dbraw/zinc/29/21/52/646292152.db2.gz SHYLSKCPOYLSIW-NEPJUHHUSA-N 2 1 228.380 1.514 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000925477100 646293038 /nfs/dbraw/zinc/29/30/38/646293038.db2.gz LEHHLZOGNSPGMH-QWHCGFSZSA-N 2 1 240.391 1.658 20 0 BDADMP CC[C@@H](CO)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000929764164 646294750 /nfs/dbraw/zinc/29/47/50/646294750.db2.gz QMQNRHHKAKJDDS-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H](CO)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000929764164 646294755 /nfs/dbraw/zinc/29/47/55/646294755.db2.gz QMQNRHHKAKJDDS-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCSC1 ZINC000925483043 646295483 /nfs/dbraw/zinc/29/54/83/646295483.db2.gz ZVJAXVHMKYDLIG-FBTJUVTCSA-N 2 1 226.389 1.422 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925483670 646295606 /nfs/dbraw/zinc/29/56/06/646295606.db2.gz WYYUHDBVYXQSMB-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP CC[NH+]1CCC(CN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925485992 646297416 /nfs/dbraw/zinc/29/74/16/646297416.db2.gz FNXSQYBRGWVMEI-CYBMUJFWSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH+]1CCC(CN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925497698 646301693 /nfs/dbraw/zinc/30/16/93/646301693.db2.gz YSJGANCMXLMEFN-LBPRGKRZSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925500044 646304448 /nfs/dbraw/zinc/30/44/48/646304448.db2.gz WOSIJTPGBCLLQP-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOC2CC2)C1 ZINC000929780560 646309623 /nfs/dbraw/zinc/30/96/23/646309623.db2.gz OURWGNYIYHQXCJ-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOC2CC2)C1 ZINC000929780560 646309624 /nfs/dbraw/zinc/30/96/24/646309624.db2.gz OURWGNYIYHQXCJ-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOC2CC2)C1 ZINC000929780560 646309627 /nfs/dbraw/zinc/30/96/27/646309627.db2.gz OURWGNYIYHQXCJ-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925557023 646334308 /nfs/dbraw/zinc/33/43/08/646334308.db2.gz MKNLKCVNUZROBT-ZDUSSCGKSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925562420 646335388 /nfs/dbraw/zinc/33/53/88/646335388.db2.gz WNDUGEUXFJOJHW-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925579587 646343985 /nfs/dbraw/zinc/34/39/85/646343985.db2.gz FSMUOTIQZBVEOF-NWDGAFQWSA-N 2 1 226.364 1.412 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925609348 646360885 /nfs/dbraw/zinc/36/08/85/646360885.db2.gz TVBPDIGGXICSGA-RYUDHWBXSA-N 2 1 226.364 1.412 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccncc1 ZINC000925615158 646363726 /nfs/dbraw/zinc/36/37/26/646363726.db2.gz MVSKREZCSRWKQQ-GFCCVEGCSA-N 2 1 219.332 1.354 20 0 BDADMP CCC1(O)CCC([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925617544 646366089 /nfs/dbraw/zinc/36/60/89/646366089.db2.gz XAUIPKJSCQUPJQ-AHPWVWPOSA-N 2 1 240.391 1.800 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000925619019 646366583 /nfs/dbraw/zinc/36/65/83/646366583.db2.gz ZJXBJPCQQUTQLM-LLVKDONJSA-N 2 1 226.364 1.412 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925619964 646367312 /nfs/dbraw/zinc/36/73/12/646367312.db2.gz SIPGFZYUMPURRI-NWDGAFQWSA-N 2 1 226.364 1.268 20 0 BDADMP Cc1cnccc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925627016 646373974 /nfs/dbraw/zinc/37/39/74/646373974.db2.gz VPOAWTLBOHARER-CYBMUJFWSA-N 2 1 233.359 1.663 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925641730 646384400 /nfs/dbraw/zinc/38/44/00/646384400.db2.gz AJXAQZWHAPNLTF-SDDRHHMPSA-N 2 1 238.375 1.410 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]CCC1CC(O)C1)c1ccccc1 ZINC000925652256 646389839 /nfs/dbraw/zinc/38/98/39/646389839.db2.gz PBNIWTRHWOKGNC-WZKVNAIUSA-N 2 1 248.370 1.826 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925649573 646390395 /nfs/dbraw/zinc/39/03/95/646390395.db2.gz LLNFIRLDOQGKPY-NEPJUHHUSA-N 2 1 228.380 1.658 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000925666725 646398899 /nfs/dbraw/zinc/39/88/99/646398899.db2.gz VTNJLPXMSSKIMO-SNVBAGLBSA-N 2 1 212.337 1.022 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925677586 646404692 /nfs/dbraw/zinc/40/46/92/646404692.db2.gz VMAYWVMZGQEPOK-OUAUKWLOSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1ncsc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925678906 646406344 /nfs/dbraw/zinc/40/63/44/646406344.db2.gz APLGCULKZPOEPY-NSHDSACASA-N 2 1 239.388 1.724 20 0 BDADMP Cc1cccnc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925683480 646411353 /nfs/dbraw/zinc/41/13/53/646411353.db2.gz QSKSNRVJRSAWRE-CQSZACIVSA-N 2 1 245.370 1.807 20 0 BDADMP CC(C)(CN[C@H]1C[NH2+]CCOC1)C1CCC1 ZINC000925683362 646411441 /nfs/dbraw/zinc/41/14/41/646411441.db2.gz PGISRAGTTXOFOB-LBPRGKRZSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000925688111 646415449 /nfs/dbraw/zinc/41/54/49/646415449.db2.gz CZYHGRIWPOWXIY-LPWJVIDDSA-N 2 1 226.364 1.268 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925695337 646419283 /nfs/dbraw/zinc/41/92/83/646419283.db2.gz QFMSDNOGXDMRKG-FRRDWIJNSA-N 2 1 238.375 1.818 20 0 BDADMP N[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C12CCC2 ZINC000925702050 646427704 /nfs/dbraw/zinc/42/77/04/646427704.db2.gz JWBJHEUTRFIGHD-STQMWFEESA-N 2 1 237.391 1.236 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)C1 ZINC000925704981 646428903 /nfs/dbraw/zinc/42/89/03/646428903.db2.gz HFWOCVCOGIRMFC-BJDJZHNGSA-N 2 1 243.370 1.182 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000925721577 646445608 /nfs/dbraw/zinc/44/56/08/646445608.db2.gz OJODVDLBNKPWKO-AVGNSLFASA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000925721580 646445671 /nfs/dbraw/zinc/44/56/71/646445671.db2.gz OJODVDLBNKPWKO-YNEHKIRRSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000925729176 646454516 /nfs/dbraw/zinc/45/45/16/646454516.db2.gz JEJFBKQRQKPVLP-SDDRHHMPSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925732639 646455813 /nfs/dbraw/zinc/45/58/13/646455813.db2.gz ZHEBSTXFQFSEGY-XXIIAIFYSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@@H]([NH3+])[C@@H](NCC1CC([NH3+])C1)c1ccccc1 ZINC000925732639 646455816 /nfs/dbraw/zinc/45/58/16/646455816.db2.gz ZHEBSTXFQFSEGY-XXIIAIFYSA-N 2 1 233.359 1.402 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925739082 646461796 /nfs/dbraw/zinc/46/17/96/646461796.db2.gz ZVTLAQOOFQTNGZ-QWRGUYRKSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cnccn1 ZINC000925740188 646462931 /nfs/dbraw/zinc/46/29/31/646462931.db2.gz FDJARMCNDIUFBL-VIFPVBQESA-N 2 1 208.309 1.255 20 0 BDADMP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1nccn1C ZINC000925742733 646465040 /nfs/dbraw/zinc/46/50/40/646465040.db2.gz XKPFHKPFURGFQJ-SNVBAGLBSA-N 2 1 224.352 1.588 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000925787326 646483446 /nfs/dbraw/zinc/48/34/46/646483446.db2.gz YNPUBBPXXBXCHA-RFGFWPKPSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925787326 646483450 /nfs/dbraw/zinc/48/34/50/646483450.db2.gz YNPUBBPXXBXCHA-RFGFWPKPSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000925787326 646483456 /nfs/dbraw/zinc/48/34/56/646483456.db2.gz YNPUBBPXXBXCHA-RFGFWPKPSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000925803592 646488801 /nfs/dbraw/zinc/48/88/01/646488801.db2.gz RSIAEFZHSAYOGB-SYQHCUMBSA-N 2 1 239.407 1.482 20 0 BDADMP Cc1cc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)nn1C ZINC000925835611 646502809 /nfs/dbraw/zinc/50/28/09/646502809.db2.gz URZSLYGNAZJXCI-YPMHNXCESA-N 2 1 236.363 1.001 20 0 BDADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)C1CC1 ZINC000925849001 646509532 /nfs/dbraw/zinc/50/95/32/646509532.db2.gz MRKBHNJKVMLBQA-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCOC1 ZINC000926142648 646583893 /nfs/dbraw/zinc/58/38/93/646583893.db2.gz PCXJCROFNBGKFR-HABKJSAYSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926174122 646589012 /nfs/dbraw/zinc/58/90/12/646589012.db2.gz PVQUMCLOKMZEEX-OCCSQVGLSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926174122 646589016 /nfs/dbraw/zinc/58/90/16/646589016.db2.gz PVQUMCLOKMZEEX-OCCSQVGLSA-N 2 1 240.391 1.467 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000724807939 711615892 /nfs/dbraw/zinc/61/58/92/711615892.db2.gz AXNBGEOCLKWZOR-LOWDOPEQSA-N 2 1 224.348 1.225 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257650796 711722507 /nfs/dbraw/zinc/72/25/07/711722507.db2.gz DIEQSBGPIREFER-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721913918 711918474 /nfs/dbraw/zinc/91/84/74/711918474.db2.gz QQKQFULMHPWAHT-RDBSUJKOSA-N 2 1 242.407 1.964 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000721921289 711937138 /nfs/dbraw/zinc/93/71/38/711937138.db2.gz XJCHHXPTFYJVBA-RVMXOQNASA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000721921289 711937139 /nfs/dbraw/zinc/93/71/39/711937139.db2.gz XJCHHXPTFYJVBA-RVMXOQNASA-N 2 1 224.348 1.095 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000702096640 712038541 /nfs/dbraw/zinc/03/85/41/712038541.db2.gz AYCDXHXUNAZIAC-GRYCIOLGSA-N 2 1 244.329 1.963 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703018671 712065175 /nfs/dbraw/zinc/06/51/75/712065175.db2.gz ZDSKVMVVDWORCD-IYXRBSQSSA-N 2 1 240.391 1.611 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000703855593 712091127 /nfs/dbraw/zinc/09/11/27/712091127.db2.gz VQDLSSMZUJPJGR-QCXCNERSSA-N 2 1 226.364 1.328 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)OCC ZINC000705378594 712130226 /nfs/dbraw/zinc/13/02/26/712130226.db2.gz YDINLRSEDSYQPO-YNEHKIRRSA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708332119 712188181 /nfs/dbraw/zinc/18/81/81/712188181.db2.gz PHLCUMQOWMGDJD-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CCCO1)C2 ZINC000709828349 712228820 /nfs/dbraw/zinc/22/88/20/712228820.db2.gz UVODKOZETDKPGE-CYDGBPFRSA-N 2 1 224.348 1.367 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710621745 712264078 /nfs/dbraw/zinc/26/40/78/712264078.db2.gz YEHQVFDGUUCBCB-SECBINFHSA-N 2 1 211.334 1.281 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](CF)C2)C1 ZINC000711444302 712300688 /nfs/dbraw/zinc/30/06/88/712300688.db2.gz QHTBYEHNWGZHBR-SDDRHHMPSA-N 2 1 214.328 1.795 20 0 BDADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711552007 712309328 /nfs/dbraw/zinc/30/93/28/712309328.db2.gz MYGGFXWHMKMNQN-DTORHVGOSA-N 2 1 200.351 1.019 20 0 BDADMP C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000711534872 712309977 /nfs/dbraw/zinc/30/99/77/712309977.db2.gz NMLSMIWYXFHNTF-RWMBFGLXSA-N 2 1 240.416 1.671 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOC1CC1 ZINC000711751856 712324764 /nfs/dbraw/zinc/32/47/64/712324764.db2.gz JCMOVTFTCFLNCN-GFCCVEGCSA-N 2 1 214.353 1.471 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OC1CC1 ZINC000711786897 712330242 /nfs/dbraw/zinc/33/02/42/712330242.db2.gz QGOOEFUQTDQOSH-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712668303 712439817 /nfs/dbraw/zinc/43/98/17/712439817.db2.gz IIHSZRZCOZDFEZ-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000713596604 712466046 /nfs/dbraw/zinc/46/60/46/712466046.db2.gz NALBJVFUQAAKQR-AGIUHOORSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@H+](C[C@@H]1CCC(C)(C)CO1)[C@H](C[NH3+])C1CC1 ZINC000713585664 712466237 /nfs/dbraw/zinc/46/62/37/712466237.db2.gz KNYZTWYWMKYUAF-QWHCGFSZSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+](C[C@@H]1CCC(C)(C)CO1)[C@H](C[NH3+])C1CC1 ZINC000713585664 712466238 /nfs/dbraw/zinc/46/62/38/712466238.db2.gz KNYZTWYWMKYUAF-QWHCGFSZSA-N 2 1 240.391 1.861 20 0 BDADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)O1 ZINC000714375672 712484624 /nfs/dbraw/zinc/48/46/24/712484624.db2.gz VWSGQDFUIHRVGP-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715120633 712510564 /nfs/dbraw/zinc/51/05/64/712510564.db2.gz DEPGLHZHOIQZHE-LBPRGKRZSA-N 2 1 244.379 1.458 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000037485314 712650915 /nfs/dbraw/zinc/65/09/15/712650915.db2.gz SRLYDIZYWIIABP-GHMZBOCLSA-N 2 1 208.349 1.859 20 0 BDADMP C[N@@H+](C[C@H](O)CC1CCCC1)C1CC([NH3+])C1 ZINC000384949134 712707031 /nfs/dbraw/zinc/70/70/31/712707031.db2.gz FYBWGVBGMYRVGB-WXRRBKDZSA-N 2 1 226.364 1.349 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717957823 712735372 /nfs/dbraw/zinc/73/53/72/712735372.db2.gz TXFRYXNGIIACEP-FVCCEPFGSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[N@@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719843967 712825647 /nfs/dbraw/zinc/82/56/47/712825647.db2.gz FUPOMYLHYUEYBW-GHMZBOCLSA-N 2 1 239.388 1.602 20 0 BDADMP CC[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720291372 712830176 /nfs/dbraw/zinc/83/01/76/712830176.db2.gz FBCGRZRNLHQDFX-VXGBXAGGSA-N 2 1 226.364 1.533 20 0 BDADMP CC[C@H](C)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720869949 712871649 /nfs/dbraw/zinc/87/16/49/712871649.db2.gz AHEGJGOCWWIQKH-XHNCKOQMSA-N 2 1 224.270 1.854 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000381204660 710608021 /nfs/dbraw/zinc/60/80/21/710608021.db2.gz CNTRSWCCAVRNNT-YVECIDJPSA-N 2 1 224.348 1.095 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2cnns2)CC1 ZINC000381625201 710662349 /nfs/dbraw/zinc/66/23/49/710662349.db2.gz KRLCNPGPHYBHOU-UHFFFAOYSA-N 2 1 240.376 1.360 20 0 BDADMP C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380457307 712900872 /nfs/dbraw/zinc/90/08/72/712900872.db2.gz PFGFEYKOQGESHS-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000380457307 712900873 /nfs/dbraw/zinc/90/08/73/712900873.db2.gz PFGFEYKOQGESHS-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000723096088 710726273 /nfs/dbraw/zinc/72/62/73/710726273.db2.gz DZYHWRWDXZDNMS-RDBSUJKOSA-N 2 1 237.391 1.012 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1CC[NH3+] ZINC000723890250 710733342 /nfs/dbraw/zinc/73/33/42/710733342.db2.gz COQRSNITYOJRPH-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000723988806 710735904 /nfs/dbraw/zinc/73/59/04/710735904.db2.gz RVMOMTMQPHELLH-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc2cc[nH]c2c1 ZINC000382076134 710773490 /nfs/dbraw/zinc/77/34/90/710773490.db2.gz JGURTORMHQSERH-UHFFFAOYSA-N 2 1 217.316 1.949 20 0 BDADMP C[C@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1C[NH3+] ZINC000133089030 710967411 /nfs/dbraw/zinc/96/74/11/710967411.db2.gz ILFNAAFORSEAOE-WCQYABFASA-N 2 1 226.364 1.330 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000133090781 710968373 /nfs/dbraw/zinc/96/83/73/710968373.db2.gz RQFPVWYABRARRT-OLZOCXBDSA-N 2 1 228.380 1.720 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3(O)CCCCC3)C[C@H]21 ZINC000384845153 710998399 /nfs/dbraw/zinc/99/83/99/710998399.db2.gz BECGKWDOVYUFQM-ITGUQSILSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3(O)CCCCC3)C[C@H]21 ZINC000384845153 710998403 /nfs/dbraw/zinc/99/84/03/710998403.db2.gz BECGKWDOVYUFQM-ITGUQSILSA-N 2 1 238.375 1.173 20 0 BDADMP C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[N@@H+](C)C1CC1 ZINC000385550161 711015085 /nfs/dbraw/zinc/01/50/85/711015085.db2.gz WVNFLTDWXRPJLT-JIGBKUHMSA-N 2 1 249.402 1.055 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+](CC(F)F)C2CC2)C1 ZINC000387078973 711040168 /nfs/dbraw/zinc/04/01/68/711040168.db2.gz SHFSCOSTIKPVGR-DTWKUNHWSA-N 2 1 218.291 1.843 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CC(F)F)C2CC2)C1 ZINC000387078973 711040169 /nfs/dbraw/zinc/04/01/69/711040169.db2.gz SHFSCOSTIKPVGR-DTWKUNHWSA-N 2 1 218.291 1.843 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCO ZINC000389329578 711075183 /nfs/dbraw/zinc/07/51/83/711075183.db2.gz URLXJFUSXHAQCZ-GHMZBOCLSA-N 2 1 202.342 1.076 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCO ZINC000389329578 711075188 /nfs/dbraw/zinc/07/51/88/711075188.db2.gz URLXJFUSXHAQCZ-GHMZBOCLSA-N 2 1 202.342 1.076 20 0 BDADMP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000390295776 711112023 /nfs/dbraw/zinc/11/20/23/711112023.db2.gz APMSCVUHTCHCQV-ZFWWWQNUSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000390295776 711112027 /nfs/dbraw/zinc/11/20/27/711112027.db2.gz APMSCVUHTCHCQV-ZFWWWQNUSA-N 2 1 248.370 1.872 20 0 BDADMP C[N@@H+](Cc1cc[nH]n1)C1CCC([NH3+])CC1 ZINC000390491290 711120008 /nfs/dbraw/zinc/12/00/08/711120008.db2.gz QMSRVSGYUNFEPT-UHFFFAOYSA-N 2 1 208.309 1.111 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CC[N@H+]1C ZINC000390593262 711128285 /nfs/dbraw/zinc/12/82/85/711128285.db2.gz ZUWWFTUNGIMEIT-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000392236062 711142773 /nfs/dbraw/zinc/14/27/73/711142773.db2.gz FUWSDIPBSMOEPT-CQSZACIVSA-N 2 1 243.354 1.920 20 0 BDADMP O=c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc[nH]1 ZINC000392764678 711151883 /nfs/dbraw/zinc/15/18/83/711151883.db2.gz RWTDYSUTUSKSMU-CHWSQXEVSA-N 2 1 247.342 1.504 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)OC ZINC000396549625 711352962 /nfs/dbraw/zinc/35/29/62/711352962.db2.gz DGAXOYFPMMRUMD-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000396540764 711353713 /nfs/dbraw/zinc/35/37/13/711353713.db2.gz AMCIXYHXKUAQAP-ZYHUDNBSSA-N 2 1 228.405 1.860 20 0 BDADMP CSCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396545392 711353929 /nfs/dbraw/zinc/35/39/29/711353929.db2.gz DPPICZYYTSIWLM-ZJUUUORDSA-N 2 1 202.367 1.470 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000396575748 711354778 /nfs/dbraw/zinc/35/47/78/711354778.db2.gz CHMWCGVLROLXHD-NEPJUHHUSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000396602622 711355019 /nfs/dbraw/zinc/35/50/19/711355019.db2.gz NVNJLCCCBIMLJO-YNEHKIRRSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000396585846 711356481 /nfs/dbraw/zinc/35/64/81/711356481.db2.gz RDRJKATWYIVVAL-STQMWFEESA-N 2 1 236.363 1.393 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000396581866 711357012 /nfs/dbraw/zinc/35/70/12/711357012.db2.gz FSBUZHJHWUDBOL-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1(C)C ZINC000396604334 711360084 /nfs/dbraw/zinc/36/00/84/711360084.db2.gz OKTFBZBHKZAAPH-NOOOWODRSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000396680934 711364493 /nfs/dbraw/zinc/36/44/93/711364493.db2.gz VVITZNXQIVCNFB-QJPTWQEYSA-N 2 1 210.321 1.409 20 0 BDADMP C[C@H]1COCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000399249388 711426153 /nfs/dbraw/zinc/42/61/53/711426153.db2.gz FDRLPQMYROVELQ-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000399443474 711430137 /nfs/dbraw/zinc/43/01/37/711430137.db2.gz VANROENZGQMXKJ-AGIUHOORSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCCCCC[NH3+] ZINC000399510528 711430493 /nfs/dbraw/zinc/43/04/93/711430493.db2.gz ZHQZGGRWXMKVOS-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CC2CCC1CC2 ZINC000399890465 711436079 /nfs/dbraw/zinc/43/60/79/711436079.db2.gz JBIZPRHXYXEUJG-TUUUFIMRSA-N 2 1 226.364 1.064 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000381266951 710615122 /nfs/dbraw/zinc/61/51/22/710615122.db2.gz ULGUJOBONNWZCP-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CCC[N@@H+](C[C@H](O)CN1CCCC1)C1CC1 ZINC000381266951 710615118 /nfs/dbraw/zinc/61/51/18/710615118.db2.gz ULGUJOBONNWZCP-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)C(C)C ZINC000721915168 710692826 /nfs/dbraw/zinc/69/28/26/710692826.db2.gz UDXBEBARNXRJAE-NWDGAFQWSA-N 2 1 214.353 1.186 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386572148 711033015 /nfs/dbraw/zinc/03/30/15/711033015.db2.gz LZMLTKUWLRVBCK-AVGNSLFASA-N 2 1 228.380 1.514 20 0 BDADMP CO[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(C)C ZINC000394368481 711190081 /nfs/dbraw/zinc/19/00/81/711190081.db2.gz VEQWYWGVSJTDFL-QEHJDLSMSA-N 2 1 238.375 1.243 20 0 BDADMP CO[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(C)C ZINC000394368485 711190576 /nfs/dbraw/zinc/19/05/76/711190576.db2.gz VEQWYWGVSJTDFL-XADZXUCXSA-N 2 1 238.375 1.243 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000713735587 711494245 /nfs/dbraw/zinc/49/42/45/711494245.db2.gz PRGDNEPXVZCERM-JXLSXLBDSA-N 2 1 206.333 1.803 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000723122562 711505831 /nfs/dbraw/zinc/50/58/31/711505831.db2.gz QSQFDQZFABLETF-FVCCEPFGSA-N 2 1 210.365 1.949 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000723642463 711529524 /nfs/dbraw/zinc/52/95/24/711529524.db2.gz WCVSWXHTZLIPBY-YNEHKIRRSA-N 2 1 249.358 1.851 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000891475241 711532466 /nfs/dbraw/zinc/53/24/66/711532466.db2.gz DVJUCDYPCUWVDH-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000723711734 711536117 /nfs/dbraw/zinc/53/61/17/711536117.db2.gz HTBCWPAITQNQGA-JTQLQIEISA-N 2 1 239.750 1.906 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1CC[NH3+] ZINC000723892999 711544101 /nfs/dbraw/zinc/54/41/01/711544101.db2.gz VGCIHZDHDVLZTN-MXWKQRLJSA-N 2 1 248.317 1.327 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723910351 711544596 /nfs/dbraw/zinc/54/45/96/711544596.db2.gz YYNOPJBPQHZINR-TZMCWYRMSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1CC[NH3+] ZINC000723900391 711544833 /nfs/dbraw/zinc/54/48/33/711544833.db2.gz BNDLHNQTBBVGTN-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000724154702 711565502 /nfs/dbraw/zinc/56/55/02/711565502.db2.gz YRLBVXXLCLSXGT-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CSCCC[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000393655287 711605371 /nfs/dbraw/zinc/60/53/71/711605371.db2.gz HDABKGNTDWVASR-QMMMGPOBSA-N 2 1 226.336 1.654 20 0 BDADMP CSCCC[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000393655287 711605374 /nfs/dbraw/zinc/60/53/74/711605374.db2.gz HDABKGNTDWVASR-QMMMGPOBSA-N 2 1 226.336 1.654 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000724776974 711611043 /nfs/dbraw/zinc/61/10/43/711611043.db2.gz RJOUZZQYMKCIMX-UHFFFAOYSA-N 2 1 224.352 1.669 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000724926554 711629336 /nfs/dbraw/zinc/62/93/36/711629336.db2.gz RQODRJAJFNZKHV-OLZOCXBDSA-N 2 1 244.379 1.097 20 0 BDADMP [NH3+][C@H](C[NH2+]C1CCCCC1)CC(F)F ZINC000393691949 711676217 /nfs/dbraw/zinc/67/62/17/711676217.db2.gz WOGIFZANCFTYQW-QMMMGPOBSA-N 2 1 206.280 1.891 20 0 BDADMP [NH3+][C@@H](C[NH2+]C1CCCCC1)CC(F)F ZINC000393691948 711676254 /nfs/dbraw/zinc/67/62/54/711676254.db2.gz WOGIFZANCFTYQW-MRVPVSSYSA-N 2 1 206.280 1.891 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000396589262 711702386 /nfs/dbraw/zinc/70/23/86/711702386.db2.gz BOQVJNIRQSGRSS-MNOVXSKESA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000396595152 711702780 /nfs/dbraw/zinc/70/27/80/711702780.db2.gz LGNBXGOBDQHDTD-GXTWGEPZSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313147684 711713902 /nfs/dbraw/zinc/71/39/02/711713902.db2.gz SVKKGPINQDGLAT-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000334979407 711719274 /nfs/dbraw/zinc/71/92/74/711719274.db2.gz GSODKGQSRNZBAV-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000334979407 711719275 /nfs/dbraw/zinc/71/92/75/711719275.db2.gz GSODKGQSRNZBAV-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1CCCO1 ZINC000334979425 711719464 /nfs/dbraw/zinc/71/94/64/711719464.db2.gz HMVXTZRSVFGHRL-STQMWFEESA-N 2 1 224.348 1.383 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1CCCO1 ZINC000334979425 711719465 /nfs/dbraw/zinc/71/94/65/711719465.db2.gz HMVXTZRSVFGHRL-STQMWFEESA-N 2 1 224.348 1.383 20 0 BDADMP C[C@H](C[NH2+]Cc1cnn(C)c1)C[NH+]1CCCC1 ZINC000058065149 711827797 /nfs/dbraw/zinc/82/77/97/711827797.db2.gz YXLIPBPXMYLKRG-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229066687 711837374 /nfs/dbraw/zinc/83/73/74/711837374.db2.gz BOTXHBULYCASPG-RISCZKNCSA-N 2 1 233.359 1.807 20 0 BDADMP CC(C)(C)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119075 711867025 /nfs/dbraw/zinc/86/70/25/711867025.db2.gz DDKPIYUYIDGEBJ-WCQYABFASA-N 2 1 210.365 1.964 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000069721276 711893467 /nfs/dbraw/zinc/89/34/67/711893467.db2.gz FEDGTEOJABDKGX-BDAKNGLRSA-N 2 1 240.269 1.113 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H](O)C(F)(F)F ZINC000069721276 711893468 /nfs/dbraw/zinc/89/34/68/711893468.db2.gz FEDGTEOJABDKGX-BDAKNGLRSA-N 2 1 240.269 1.113 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])C1 ZINC000721926346 711937694 /nfs/dbraw/zinc/93/76/94/711937694.db2.gz DUSNMVFBTZVMPV-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1 ZINC000721959064 711948117 /nfs/dbraw/zinc/94/81/17/711948117.db2.gz DVWSGUXTMKOSGO-POQQGIQPSA-N 2 1 240.391 1.717 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000701718521 712028115 /nfs/dbraw/zinc/02/81/15/712028115.db2.gz RXJMIHPRICSIEB-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000702095002 712038563 /nfs/dbraw/zinc/03/85/63/712038563.db2.gz WWLIIQAPALIQEH-UONOGXRCSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCCCCO)C2 ZINC000702461994 712053627 /nfs/dbraw/zinc/05/36/27/712053627.db2.gz WWRQQEHWWDOKJY-OKILXGFUSA-N 2 1 240.391 1.471 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC(F)(F)CC1 ZINC000702806873 712061237 /nfs/dbraw/zinc/06/12/37/712061237.db2.gz MFWBRUQUKOIGOM-MNOVXSKESA-N 2 1 232.318 1.963 20 0 BDADMP CCc1cc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)nc(C)[nH+]1 ZINC000703547920 712078414 /nfs/dbraw/zinc/07/84/14/712078414.db2.gz MRWIFOBKJCDKGM-SMDDNHRTSA-N 2 1 246.358 1.393 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCO1 ZINC000703587910 712079851 /nfs/dbraw/zinc/07/98/51/712079851.db2.gz HYUJLHIZTCTMKF-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](CC)CO1 ZINC000703616583 712081483 /nfs/dbraw/zinc/08/14/83/712081483.db2.gz OIOSHUSQJGFCMG-QNWHQSFQSA-N 2 1 226.364 1.613 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC(OC)C2)CC[C@H]1[NH3+] ZINC000703909244 712094253 /nfs/dbraw/zinc/09/42/53/712094253.db2.gz YLSAMDBBCMMBOZ-POOIEITISA-N 2 1 226.364 1.471 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)OCC ZINC000705378592 712130253 /nfs/dbraw/zinc/13/02/53/712130253.db2.gz YDINLRSEDSYQPO-UPJWGTAASA-N 2 1 228.380 1.922 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000705708869 712134343 /nfs/dbraw/zinc/13/43/43/712134343.db2.gz VIPMZOBFWLTDJU-NWINJMCUSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000705708869 712134344 /nfs/dbraw/zinc/13/43/44/712134344.db2.gz VIPMZOBFWLTDJU-NWINJMCUSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1CCCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000705913661 712139147 /nfs/dbraw/zinc/13/91/47/712139147.db2.gz SDEAHTUVVFLEDP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000706499053 712147485 /nfs/dbraw/zinc/14/74/85/712147485.db2.gz NTYKRDFNCCTRQQ-IVXLTEJVSA-N 2 1 224.348 1.379 20 0 BDADMP C[N@@H+](CCn1cccn1)C[C@@]1(C)CCC[NH2+]C1 ZINC000707397416 712169980 /nfs/dbraw/zinc/16/99/80/712169980.db2.gz VSDFBKHTJMVFFZ-ZDUSSCGKSA-N 2 1 236.363 1.205 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000707649615 712176410 /nfs/dbraw/zinc/17/64/10/712176410.db2.gz GDWMUDLHILPISF-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708079474 712181184 /nfs/dbraw/zinc/18/11/84/712181184.db2.gz FNTZBVDBVXLVLR-UTUOFQBUSA-N 2 1 226.364 1.328 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000708332144 712188329 /nfs/dbraw/zinc/18/83/29/712188329.db2.gz PMQHDYGCKXYEMX-VXGBXAGGSA-N 2 1 226.364 1.472 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000708346401 712190092 /nfs/dbraw/zinc/19/00/92/712190092.db2.gz FFMYFYWEPSDWMN-AVGNSLFASA-N 2 1 238.375 1.485 20 0 BDADMP Cc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000708839368 712200698 /nfs/dbraw/zinc/20/06/98/712200698.db2.gz CWDHGJGCJISVIS-ZIAGYGMSSA-N 2 1 248.370 1.900 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000709825566 712228987 /nfs/dbraw/zinc/22/89/87/712228987.db2.gz KCMINBIOHQMMOV-CYDGBPFRSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccns1 ZINC000709966618 712235108 /nfs/dbraw/zinc/23/51/08/712235108.db2.gz JTHMPLKCRGJIAO-ZJUUUORDSA-N 2 1 225.361 1.497 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccns1 ZINC000709966618 712235111 /nfs/dbraw/zinc/23/51/11/712235111.db2.gz JTHMPLKCRGJIAO-ZJUUUORDSA-N 2 1 225.361 1.497 20 0 BDADMP CCC[N@H+]1CC[C@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000710337080 712252265 /nfs/dbraw/zinc/25/22/65/712252265.db2.gz MXEYSMAZWHHERY-LLVKDONJSA-N 2 1 249.362 1.511 20 0 BDADMP FC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000711446218 712300590 /nfs/dbraw/zinc/30/05/90/712300590.db2.gz WCXUGARCEQDYKP-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](CF)C1 ZINC000711449886 712301641 /nfs/dbraw/zinc/30/16/41/712301641.db2.gz IJGJTRZEFKKTEX-CHWSQXEVSA-N 2 1 244.354 1.125 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000711465543 712302626 /nfs/dbraw/zinc/30/26/26/712302626.db2.gz BNGFEFBHZGEXEE-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000711471337 712303376 /nfs/dbraw/zinc/30/33/76/712303376.db2.gz SMTNYPGCXUXTBT-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)OC1CC1 ZINC000711701374 712318127 /nfs/dbraw/zinc/31/81/27/712318127.db2.gz DPNRWXABJGOQTK-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)OC1CC1 ZINC000711776128 712327956 /nfs/dbraw/zinc/32/79/56/712327956.db2.gz GKVNPEGDHVLYQL-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479179 712334670 /nfs/dbraw/zinc/33/46/70/712334670.db2.gz NXVUMVQHILULBT-NSHDSACASA-N 2 1 237.347 1.716 20 0 BDADMP C[N@H+]1CC[C@H]1CNc1cc[nH+]c2ccccc12 ZINC000712593868 712435382 /nfs/dbraw/zinc/43/53/82/712435382.db2.gz FLXAKJUEHCWWDZ-NSHDSACASA-N 2 1 227.311 1.773 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712533997 712442034 /nfs/dbraw/zinc/44/20/34/712442034.db2.gz RSAIQCDVUDJHME-QWHCGFSZSA-N 2 1 238.375 1.759 20 0 BDADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1C ZINC000712565563 712446246 /nfs/dbraw/zinc/44/62/46/712446246.db2.gz QOAZDBKQIUTHPE-LLVKDONJSA-N 2 1 205.305 1.318 20 0 BDADMP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]c(C)c1Cl ZINC000712571068 712447607 /nfs/dbraw/zinc/44/76/07/712447607.db2.gz VGDZKQVMBXSGGQ-JTQLQIEISA-N 2 1 239.750 1.971 20 0 BDADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]c(C)c1Cl ZINC000712571068 712447609 /nfs/dbraw/zinc/44/76/09/712447609.db2.gz VGDZKQVMBXSGGQ-JTQLQIEISA-N 2 1 239.750 1.971 20 0 BDADMP CCOCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713176137 712453218 /nfs/dbraw/zinc/45/32/18/712453218.db2.gz NUDZYWBPZIRDQY-UHFFFAOYSA-N 2 1 212.337 1.241 20 0 BDADMP CCOC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714435341 712486736 /nfs/dbraw/zinc/48/67/36/712486736.db2.gz FSSHLHQCBNHMQH-UHFFFAOYSA-N 2 1 242.363 1.246 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715463038 712519796 /nfs/dbraw/zinc/51/97/96/712519796.db2.gz WBTCLDLDVFRXLS-AOOOYVTPSA-N 2 1 218.291 1.702 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000715469436 712520445 /nfs/dbraw/zinc/52/04/45/712520445.db2.gz DVJWPNVJGDBZDY-GARJFASQSA-N 2 1 230.302 1.573 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511594 712524611 /nfs/dbraw/zinc/52/46/11/712524611.db2.gz SLRJWRRBVSBLLX-STQMWFEESA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](C[C@@H](C)O)[NH2+]C1CC[NH+](CC)CC1 ZINC000716803097 712575361 /nfs/dbraw/zinc/57/53/61/712575361.db2.gz SNELGCRQKDUKAV-VXGBXAGGSA-N 2 1 228.380 1.610 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCCOC1 ZINC000717984390 712735230 /nfs/dbraw/zinc/73/52/30/712735230.db2.gz KTHNHDMOEJDSFY-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP Cc1coc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000718091206 712742407 /nfs/dbraw/zinc/74/24/07/712742407.db2.gz CRTNJYKSWOVHAG-PHIMTYICSA-N 2 1 206.289 1.239 20 0 BDADMP Cc1coc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000718091206 712742408 /nfs/dbraw/zinc/74/24/08/712742408.db2.gz CRTNJYKSWOVHAG-PHIMTYICSA-N 2 1 206.289 1.239 20 0 BDADMP CO[C@]1(C[NH2+]C2CC[NH+](C)CC2)CCSC1 ZINC000719279061 712803346 /nfs/dbraw/zinc/80/33/46/712803346.db2.gz BGGYXCJSXYZWBP-LBPRGKRZSA-N 2 1 244.404 1.192 20 0 BDADMP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC000719772594 712824098 /nfs/dbraw/zinc/82/40/98/712824098.db2.gz BGGUYBUNYGGJHR-ZWNOBZJWSA-N 2 1 219.332 1.570 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720583256 712854637 /nfs/dbraw/zinc/85/46/37/712854637.db2.gz PBIVOOUDPAOQTH-LBPRGKRZSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720583256 712854638 /nfs/dbraw/zinc/85/46/38/712854638.db2.gz PBIVOOUDPAOQTH-LBPRGKRZSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)nn1 ZINC000720583920 712854860 /nfs/dbraw/zinc/85/48/60/712854860.db2.gz MZWQFLQKQJIRDJ-NOZJJQNGSA-N 2 1 234.347 1.120 20 0 BDADMP COCCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720805259 712867384 /nfs/dbraw/zinc/86/73/84/712867384.db2.gz LEXKVJMLDJJZGX-DTWKUNHWSA-N 2 1 240.269 1.092 20 0 BDADMP CC(C)C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720874201 712873351 /nfs/dbraw/zinc/87/33/51/712873351.db2.gz WSGJTCHDZYFEGV-BDAKNGLRSA-N 2 1 224.270 1.711 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000693025892 957514229 /nfs/dbraw/zinc/51/42/29/957514229.db2.gz GEOMFLJSCXFHQK-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033034 958488302 /nfs/dbraw/zinc/48/83/02/958488302.db2.gz MUZGLSWZSPBXGG-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCCCO)C1 ZINC000308850326 959525061 /nfs/dbraw/zinc/52/50/61/959525061.db2.gz MOIMCJLHCSKMAM-LBPRGKRZSA-N 2 1 214.353 1.210 20 0 BDADMP CC[C@H](O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000692581784 960309356 /nfs/dbraw/zinc/30/93/56/960309356.db2.gz WFIIEEJOEHFGLW-WYUUTHIRSA-N 2 1 214.353 1.205 20 0 BDADMP CC[C@H](O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000692581784 960309365 /nfs/dbraw/zinc/30/93/65/960309365.db2.gz WFIIEEJOEHFGLW-WYUUTHIRSA-N 2 1 214.353 1.205 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1(Cl)CC1 ZINC000695656302 960328116 /nfs/dbraw/zinc/32/81/16/960328116.db2.gz PTWFFPKEUKSZBZ-SECBINFHSA-N 2 1 227.739 1.941 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167902142 961647956 /nfs/dbraw/zinc/64/79/56/961647956.db2.gz JSCPAQWJGPECLU-USZNOCQGSA-N 2 1 240.347 1.045 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000710408533 962379530 /nfs/dbraw/zinc/37/95/30/962379530.db2.gz FEKHPZJSEBVIAY-UPJWGTAASA-N 3 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000710408533 962379548 /nfs/dbraw/zinc/37/95/48/962379548.db2.gz FEKHPZJSEBVIAY-UPJWGTAASA-N 3 1 225.380 1.201 20 0 BDADMP Cc1c[nH+]c(N(CCC[NH3+])C(C)C)c(N)c1 ZINC001156124321 963263314 /nfs/dbraw/zinc/26/33/14/963263314.db2.gz RLIMAOJLLYYCNU-UHFFFAOYSA-N 2 1 222.336 1.536 20 0 BDADMP O=C1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168356700 964515229 /nfs/dbraw/zinc/51/52/29/964515229.db2.gz TVDNCFSJAZKLER-UHFFFAOYSA-N 2 1 222.332 1.182 20 0 BDADMP C[NH+](C)CCNc1cc2[nH+]c[nH]c2cc1F ZINC001161672908 964677197 /nfs/dbraw/zinc/67/71/97/964677197.db2.gz NOXIMFMKAWRSDT-UHFFFAOYSA-N 2 1 222.267 1.676 20 0 BDADMP CC1(C[NH3+])C[NH+](CCCc2ccncc2)C1 ZINC001206711254 966191313 /nfs/dbraw/zinc/19/13/13/966191313.db2.gz HMOVOCHNOPCHTN-UHFFFAOYSA-N 2 1 219.332 1.295 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC000715557518 967161758 /nfs/dbraw/zinc/16/17/58/967161758.db2.gz JMBXTSXPNYXUMW-NELGMTEASA-N 3 1 239.407 1.589 20 0 BDADMP CC1(C)OCC(C[N@H+]2CCC[C@H]([NH3+])CC2)CO1 ZINC001205095563 967341609 /nfs/dbraw/zinc/34/16/09/967341609.db2.gz YWJGFGYYAIQQRV-LBPRGKRZSA-N 2 1 242.363 1.199 20 0 BDADMP C[C@H]1CCNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205324910 967529082 /nfs/dbraw/zinc/52/90/82/967529082.db2.gz HUIFHYMINGORPK-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC001205324910 967529102 /nfs/dbraw/zinc/52/91/02/967529102.db2.gz HUIFHYMINGORPK-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(N)c2)C1 ZINC001206277588 968191320 /nfs/dbraw/zinc/19/13/20/968191320.db2.gz UYWJKHNQOGHVBH-LLVKDONJSA-N 2 1 219.332 1.310 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(N)c2)C1 ZINC001206277588 968191330 /nfs/dbraw/zinc/19/13/30/968191330.db2.gz UYWJKHNQOGHVBH-LLVKDONJSA-N 2 1 219.332 1.310 20 0 BDADMP C[C@@]1(CN)CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001206541773 968365296 /nfs/dbraw/zinc/36/52/96/968365296.db2.gz JZDDHPXCYCTIHT-AWEZNQCLSA-N 2 1 241.423 1.956 20 0 BDADMP CC(C)(C)[NH+]1CC(OCC[NH+]2CCCCC2)C1 ZINC001206701306 968437328 /nfs/dbraw/zinc/43/73/28/968437328.db2.gz VCCIFGXXBPSKSM-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C)CC(C)(C)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC001207285381 968715249 /nfs/dbraw/zinc/71/52/49/968715249.db2.gz IVBGPINDNKKORM-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP COC[C@@H]1CC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207284943 968716322 /nfs/dbraw/zinc/71/63/22/968716322.db2.gz VHVDHZYHBXNOJK-NSHDSACASA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@@H]1CC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207284943 968716328 /nfs/dbraw/zinc/71/63/28/968716328.db2.gz VHVDHZYHBXNOJK-NSHDSACASA-N 2 1 214.353 1.295 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]2CO)CC1 ZINC001208107883 968999686 /nfs/dbraw/zinc/99/96/86/968999686.db2.gz LKCCTIQZWMONLJ-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC001208107730 969001255 /nfs/dbraw/zinc/00/12/55/969001255.db2.gz JWJPGCMXRNEXRW-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](F)C2)CC1 ZINC001208107918 969003573 /nfs/dbraw/zinc/00/35/73/969003573.db2.gz NANWUQAJTAOVJM-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP CO[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1F ZINC001208105673 969004115 /nfs/dbraw/zinc/00/41/15/969004115.db2.gz AWENHSXWQCBEQD-RYUDHWBXSA-N 2 1 244.354 1.387 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCCCC12CC2 ZINC001253187927 969108039 /nfs/dbraw/zinc/10/80/39/969108039.db2.gz LKYWYGXMNOEJMB-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCCCC12CC2 ZINC001253187927 969108048 /nfs/dbraw/zinc/10/80/48/969108048.db2.gz LKYWYGXMNOEJMB-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2COC)CC1 ZINC001208593513 969147823 /nfs/dbraw/zinc/14/78/23/969147823.db2.gz VHWIESKWOFMXJO-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001208593187 969148732 /nfs/dbraw/zinc/14/87/32/969148732.db2.gz PPCFZLOUWHARMU-CHWSQXEVSA-N 2 1 244.354 1.123 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](N(C)C)C2)CC1 ZINC001208594286 969150301 /nfs/dbraw/zinc/15/03/01/969150301.db2.gz MCXFZKOKMPUGAV-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCC(CN2CC[C@H]([NH+](C)C)C2)CC1 ZINC001208594286 969150304 /nfs/dbraw/zinc/15/03/04/969150304.db2.gz MCXFZKOKMPUGAV-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@](C)(O)C2)CC1 ZINC001208593631 969150834 /nfs/dbraw/zinc/15/08/34/969150834.db2.gz YEXZVTRSMLPSRA-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](C)C(=O)OC ZINC001208724045 969206896 /nfs/dbraw/zinc/20/68/96/969206896.db2.gz BUMMSHRJUKDZOI-LBPRGKRZSA-N 2 1 244.379 1.459 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2c[nH]cn2)CCC[C@H]1C[NH3+] ZINC001205996056 969295848 /nfs/dbraw/zinc/29/58/48/969295848.db2.gz UIIZMODHSHFHSR-MNOVXSKESA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cnc[nH]2)CCC[C@H]1C[NH3+] ZINC001205996056 969295856 /nfs/dbraw/zinc/29/58/56/969295856.db2.gz UIIZMODHSHFHSR-MNOVXSKESA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc[nH]2)CCC[C@H]1C[NH3+] ZINC001205996056 969295863 /nfs/dbraw/zinc/29/58/63/969295863.db2.gz UIIZMODHSHFHSR-MNOVXSKESA-N 2 1 222.336 1.217 20 0 BDADMP COCOCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001209032392 969325144 /nfs/dbraw/zinc/32/51/44/969325144.db2.gz SOVATWMGPNFUGY-ZDUSSCGKSA-N 2 1 242.363 1.025 20 0 BDADMP COCOCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001209032392 969325146 /nfs/dbraw/zinc/32/51/46/969325146.db2.gz SOVATWMGPNFUGY-ZDUSSCGKSA-N 2 1 242.363 1.025 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078739 969394997 /nfs/dbraw/zinc/39/49/97/969394997.db2.gz FRLKTTRHXSRMBF-BTTYYORXSA-N 3 1 239.407 1.543 20 0 BDADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C2 ZINC001169078739 969395005 /nfs/dbraw/zinc/39/50/05/969395005.db2.gz FRLKTTRHXSRMBF-BTTYYORXSA-N 2 1 239.407 1.543 20 0 BDADMP COCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209219334 969404025 /nfs/dbraw/zinc/40/40/25/969404025.db2.gz IPIRRKNZYPKTOA-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP COCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209216554 969405164 /nfs/dbraw/zinc/40/51/64/969405164.db2.gz ZKMBCMAUDUTMGS-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP COCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209216554 969405169 /nfs/dbraw/zinc/40/51/69/969405169.db2.gz ZKMBCMAUDUTMGS-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP COCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001209216554 969405176 /nfs/dbraw/zinc/40/51/76/969405176.db2.gz ZKMBCMAUDUTMGS-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP CC(C)N(CC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091433 969409693 /nfs/dbraw/zinc/40/96/93/969409693.db2.gz QXTLWJCNHHMLPZ-ITGUQSILSA-N 2 1 225.380 1.281 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107424 969443719 /nfs/dbraw/zinc/44/37/19/969443719.db2.gz GMWZRWSJVLPFRM-CRWXNKLISA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107426 969449448 /nfs/dbraw/zinc/44/94/48/969449448.db2.gz GMWZRWSJVLPFRM-XJFOESAGSA-N 2 1 240.391 1.608 20 0 BDADMP COC(=O)CC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153574 969471150 /nfs/dbraw/zinc/47/11/50/969471150.db2.gz JVQWKDBBSWHLEJ-GDNZZTSVSA-N 2 1 240.347 1.107 20 0 BDADMP COC(=O)CC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153574 969471164 /nfs/dbraw/zinc/47/11/64/969471164.db2.gz JVQWKDBBSWHLEJ-GDNZZTSVSA-N 2 1 240.347 1.107 20 0 BDADMP COC(=O)CC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153574 969471174 /nfs/dbraw/zinc/47/11/74/969471174.db2.gz JVQWKDBBSWHLEJ-GDNZZTSVSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209411095 969477682 /nfs/dbraw/zinc/47/76/82/969477682.db2.gz BCFFMRLBYSCAIF-LPWJVIDDSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209411095 969477693 /nfs/dbraw/zinc/47/76/93/969477693.db2.gz BCFFMRLBYSCAIF-LPWJVIDDSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001209411095 969477707 /nfs/dbraw/zinc/47/77/07/969477707.db2.gz BCFFMRLBYSCAIF-LPWJVIDDSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[C@@H]1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209424947 969490768 /nfs/dbraw/zinc/49/07/68/969490768.db2.gz CNCAHSVPYMFBRD-NWDGAFQWSA-N 2 1 208.349 1.813 20 0 BDADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@H](C)C1 ZINC001254374824 969588512 /nfs/dbraw/zinc/58/85/12/969588512.db2.gz LVDOZFIXYJYSNN-MCIONIFRSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@](C)(CO)C2)CC1 ZINC001254515976 969685797 /nfs/dbraw/zinc/68/57/97/969685797.db2.gz IADOJILSEQSBCR-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001254515976 969685803 /nfs/dbraw/zinc/68/58/03/969685803.db2.gz IADOJILSEQSBCR-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001254515976 969685806 /nfs/dbraw/zinc/68/58/06/969685806.db2.gz IADOJILSEQSBCR-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP COC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516158 969691044 /nfs/dbraw/zinc/69/10/44/969691044.db2.gz JHGZEIWDSAEXGE-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H]1CCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517836 969695540 /nfs/dbraw/zinc/69/55/40/969695540.db2.gz ZAJFAUBPJUXLDG-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H]1CCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254517836 969695543 /nfs/dbraw/zinc/69/55/43/969695543.db2.gz ZAJFAUBPJUXLDG-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H]1CCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254517836 969695547 /nfs/dbraw/zinc/69/55/47/969695547.db2.gz ZAJFAUBPJUXLDG-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CCC[NH+]1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254524448 969712728 /nfs/dbraw/zinc/71/27/28/969712728.db2.gz BWWMZTLGFJGAIU-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@@H]1CN([C@H]2CCC[NH+](C)CC2)CC[N@H+]1C ZINC001254527508 969719311 /nfs/dbraw/zinc/71/93/11/969719311.db2.gz YSDPMVDUFYZQEU-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H]1CN([C@H]2CCC[N@H+](C)CC2)CC[NH+]1C ZINC001254527508 969719325 /nfs/dbraw/zinc/71/93/25/969719325.db2.gz YSDPMVDUFYZQEU-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H]1CN([C@H]2CCC[N@@H+](C)CC2)CC[NH+]1C ZINC001254527508 969719338 /nfs/dbraw/zinc/71/93/38/969719338.db2.gz YSDPMVDUFYZQEU-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP Cc1cc(N)[nH+]cc1Nc1[nH+]ccn1C ZINC001209961808 969720340 /nfs/dbraw/zinc/72/03/40/969720340.db2.gz NLEZBWOWTXFKRO-UHFFFAOYSA-N 2 1 203.249 1.449 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254525838 969723391 /nfs/dbraw/zinc/72/33/91/969723391.db2.gz NFWCCIDMRWPJJI-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254525838 969723401 /nfs/dbraw/zinc/72/34/01/969723401.db2.gz NFWCCIDMRWPJJI-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254525838 969723406 /nfs/dbraw/zinc/72/34/06/969723406.db2.gz NFWCCIDMRWPJJI-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525838 969723414 /nfs/dbraw/zinc/72/34/14/969723414.db2.gz NFWCCIDMRWPJJI-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)CCC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254915614 969819318 /nfs/dbraw/zinc/81/93/18/969819318.db2.gz SEWSZYAUHCATOD-GHMZBOCLSA-N 2 1 224.348 1.285 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCSC1)C2 ZINC001255269879 970020489 /nfs/dbraw/zinc/02/04/89/970020489.db2.gz QGQRFBRGNYNFMR-YFKTTZPYSA-N 2 1 226.389 1.707 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255296266 970059641 /nfs/dbraw/zinc/05/96/41/970059641.db2.gz RBTPXSNBSMRHDI-TUAOUCFPSA-N 2 1 226.389 1.375 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255296266 970059645 /nfs/dbraw/zinc/05/96/45/970059645.db2.gz RBTPXSNBSMRHDI-TUAOUCFPSA-N 2 1 226.389 1.375 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255296266 970059654 /nfs/dbraw/zinc/05/96/54/970059654.db2.gz RBTPXSNBSMRHDI-TUAOUCFPSA-N 2 1 226.389 1.375 20 0 BDADMP CC[NH+](CC)CC[C@H](C)N[C@H]1CCC[N@@H+](C)C1 ZINC001255944597 970576796 /nfs/dbraw/zinc/57/67/96/970576796.db2.gz WCZOMSHZADHLST-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC001255944597 970576806 /nfs/dbraw/zinc/57/68/06/970576806.db2.gz WCZOMSHZADHLST-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1F ZINC001255947970 970581898 /nfs/dbraw/zinc/58/18/98/970581898.db2.gz ZSCUWKXKTCBIPK-YNEHKIRRSA-N 2 1 246.370 1.823 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1CO ZINC001255956993 970592150 /nfs/dbraw/zinc/59/21/50/970592150.db2.gz NVHRUZJTNGUCAK-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H](C)C[C@H]1CO ZINC001255956479 970597726 /nfs/dbraw/zinc/59/77/26/970597726.db2.gz KHZRIUNIVUFSQQ-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC001256197578 970690595 /nfs/dbraw/zinc/69/05/95/970690595.db2.gz LGKQEVRNBWKAOO-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@@H]1O ZINC001256203215 970705015 /nfs/dbraw/zinc/70/50/15/970705015.db2.gz TVEAKOPDXGHCPP-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@@H]1O ZINC001256203215 970705030 /nfs/dbraw/zinc/70/50/30/970705030.db2.gz TVEAKOPDXGHCPP-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CCO[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC001256207433 970713060 /nfs/dbraw/zinc/71/30/60/970713060.db2.gz JUNKWHZQLVFZBR-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256207433 970713091 /nfs/dbraw/zinc/71/30/91/970713091.db2.gz JUNKWHZQLVFZBR-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256207433 970713098 /nfs/dbraw/zinc/71/30/98/970713098.db2.gz JUNKWHZQLVFZBR-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2C[C@H]2[NH3+])CC1 ZINC001173102611 975021148 /nfs/dbraw/zinc/02/11/48/975021148.db2.gz ASGVSVOKTJSERJ-FIYWTHMPSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001173131944 975041250 /nfs/dbraw/zinc/04/12/50/975041250.db2.gz NRUATEIRGRDQBF-NXEZZACHSA-N 2 1 239.388 1.527 20 0 BDADMP CCN(CC[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC001173365995 975342775 /nfs/dbraw/zinc/34/27/75/975342775.db2.gz UIHZHIXBYJVGNI-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001173444544 975386416 /nfs/dbraw/zinc/38/64/16/975386416.db2.gz KLAKAHNNFNSBNP-NEPJUHHUSA-N 2 1 244.379 1.635 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC23CCCC3)O1 ZINC001234974577 978938430 /nfs/dbraw/zinc/93/84/30/978938430.db2.gz JZNMVASGUKRKIY-NSHDSACASA-N 2 1 224.348 1.729 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC23CCCC3)O1 ZINC001234974577 978938427 /nfs/dbraw/zinc/93/84/27/978938427.db2.gz JZNMVASGUKRKIY-NSHDSACASA-N 2 1 224.348 1.729 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235976983 979239357 /nfs/dbraw/zinc/23/93/57/979239357.db2.gz DRDNKYHLRAQCBC-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236210516 979448377 /nfs/dbraw/zinc/44/83/77/979448377.db2.gz DERWOQZFCIEQQF-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC001350399841 981964295 /nfs/dbraw/zinc/96/42/95/981964295.db2.gz ZMPATRHBACCPAH-AVGNSLFASA-N 2 1 224.348 1.239 20 0 BDADMP CCC[C@H](C)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001201552084 983307189 /nfs/dbraw/zinc/30/71/89/983307189.db2.gz JFXAAOWGESIPRI-AWEZNQCLSA-N 2 1 241.423 1.602 20 0 BDADMP CC[C@@H](C)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201521613 983319081 /nfs/dbraw/zinc/31/90/81/983319081.db2.gz WBKUUKSZGFZTCD-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201521613 983319086 /nfs/dbraw/zinc/31/90/86/983319086.db2.gz WBKUUKSZGFZTCD-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201521613 983319093 /nfs/dbraw/zinc/31/90/93/983319093.db2.gz WBKUUKSZGFZTCD-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(CCC(F)(F)F)C[C@H]2C1 ZINC001202368008 983643901 /nfs/dbraw/zinc/64/39/01/983643901.db2.gz ITOKKQXGDQVSBN-AOOOYVTPSA-N 2 1 236.281 1.822 20 0 BDADMP CCOCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172416754 974684535 /nfs/dbraw/zinc/68/45/35/974684535.db2.gz PWOIAANSGRBXCB-MNOVXSKESA-N 2 1 202.342 1.328 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172389674 974736872 /nfs/dbraw/zinc/73/68/72/974736872.db2.gz PSHQNAFSUBBKEL-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]1CC([N@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001246546502 972643176 /nfs/dbraw/zinc/64/31/76/972643176.db2.gz NAMDGSLLRGTCSN-UTUOFQBUSA-N 2 1 226.364 1.756 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CCO1 ZINC001246554147 972745534 /nfs/dbraw/zinc/74/55/34/972745534.db2.gz BFXKEIXTBAJZEP-YNEHKIRRSA-N 2 1 244.354 1.707 20 0 BDADMP CCCCCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582474 972940688 /nfs/dbraw/zinc/94/06/88/972940688.db2.gz ZJIWXNJURGZAOU-AVGNSLFASA-N 2 1 228.380 1.597 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246596695 973016226 /nfs/dbraw/zinc/01/62/26/973016226.db2.gz VJBRIJRGUUDNOW-KBPBESRZSA-N 3 1 241.423 1.837 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001246596695 973016248 /nfs/dbraw/zinc/01/62/48/973016248.db2.gz VJBRIJRGUUDNOW-KBPBESRZSA-N 3 1 241.423 1.837 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922396 973509858 /nfs/dbraw/zinc/50/98/58/973509858.db2.gz WDNCIZUUZKJSGN-JQWIXIFHSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H](Cc1ccccn1)[N@@H+]1CCC[C@H]1CN ZINC001256399284 970806435 /nfs/dbraw/zinc/80/64/35/970806435.db2.gz KBFINRKUZDSJIY-YPMHNXCESA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H](Cc1ccccn1)[N@H+]1CCC[C@H]1CN ZINC001256399284 970806441 /nfs/dbraw/zinc/80/64/41/970806441.db2.gz KBFINRKUZDSJIY-YPMHNXCESA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]C1(C[NH3+])CC1 ZINC001256408016 970811687 /nfs/dbraw/zinc/81/16/87/970811687.db2.gz UQSMAUKPNDCEKD-SNVBAGLBSA-N 2 1 205.305 1.094 20 0 BDADMP CC(=O)C(C)(C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256612281 970878978 /nfs/dbraw/zinc/87/89/78/970878978.db2.gz BDCHTJDYGSEKFN-YOGCLGLASA-N 2 1 224.348 1.569 20 0 BDADMP CC(=O)C(C)(C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256612281 970878983 /nfs/dbraw/zinc/87/89/83/970878983.db2.gz BDCHTJDYGSEKFN-YOGCLGLASA-N 2 1 224.348 1.569 20 0 BDADMP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1F ZINC001256622381 970887297 /nfs/dbraw/zinc/88/72/97/970887297.db2.gz IBQPMOSIJWMYPQ-VKYHIEHISA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1F ZINC001256622381 970887299 /nfs/dbraw/zinc/88/72/99/970887299.db2.gz IBQPMOSIJWMYPQ-VKYHIEHISA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1F ZINC001256622381 970887303 /nfs/dbraw/zinc/88/73/03/970887303.db2.gz IBQPMOSIJWMYPQ-VKYHIEHISA-N 2 1 226.339 1.901 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1F ZINC001256622381 970887306 /nfs/dbraw/zinc/88/73/06/970887306.db2.gz IBQPMOSIJWMYPQ-VKYHIEHISA-N 2 1 226.339 1.901 20 0 BDADMP CC[N@@H+](CCOC)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621666 970888422 /nfs/dbraw/zinc/88/84/22/970888422.db2.gz ZQMPWCGYWUCJIZ-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](CCOC)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621666 970888430 /nfs/dbraw/zinc/88/84/30/970888430.db2.gz ZQMPWCGYWUCJIZ-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](CCOC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621666 970888433 /nfs/dbraw/zinc/88/84/33/970888433.db2.gz ZQMPWCGYWUCJIZ-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001256624335 970890405 /nfs/dbraw/zinc/89/04/05/970890405.db2.gz WZGBSMVVZCKLGF-SYCZCVCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@H]1O ZINC001256624335 970890413 /nfs/dbraw/zinc/89/04/13/970890413.db2.gz WZGBSMVVZCKLGF-SYCZCVCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@H]1O ZINC001256624335 970890415 /nfs/dbraw/zinc/89/04/15/970890415.db2.gz WZGBSMVVZCKLGF-SYCZCVCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnccn3)C[C@H]2CC1 ZINC001276733291 970896639 /nfs/dbraw/zinc/89/66/39/970896639.db2.gz ZZOYHFIGLJUMGJ-BETUJISGSA-N 2 1 246.358 1.250 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnccn3)C[C@H]2CC1 ZINC001276733291 970896641 /nfs/dbraw/zinc/89/66/41/970896641.db2.gz ZZOYHFIGLJUMGJ-BETUJISGSA-N 2 1 246.358 1.250 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cnccn3)C[C@H]2CC1 ZINC001276733291 970896650 /nfs/dbraw/zinc/89/66/50/970896650.db2.gz ZZOYHFIGLJUMGJ-BETUJISGSA-N 2 1 246.358 1.250 20 0 BDADMP CO[C@@H](C)C1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256629709 970895178 /nfs/dbraw/zinc/89/51/78/970895178.db2.gz QDGFDLRHOJEFRJ-RAQOOLMWSA-N 2 1 238.375 1.578 20 0 BDADMP CCC[N@@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256689155 970920168 /nfs/dbraw/zinc/92/01/68/970920168.db2.gz RCAAAUSPIUPRFY-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256786734 970986367 /nfs/dbraw/zinc/98/63/67/970986367.db2.gz LQUWMRVSWGOKJO-KFWWJZLASA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256786734 970986381 /nfs/dbraw/zinc/98/63/81/970986381.db2.gz LQUWMRVSWGOKJO-KFWWJZLASA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256798925 970993070 /nfs/dbraw/zinc/99/30/70/970993070.db2.gz LQUWMRVSWGOKJO-RRFJBIMHSA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+][C@H]1CC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256798925 970993078 /nfs/dbraw/zinc/99/30/78/970993078.db2.gz LQUWMRVSWGOKJO-RRFJBIMHSA-N 2 1 246.354 1.940 20 0 BDADMP O[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256855717 970996372 /nfs/dbraw/zinc/99/63/72/970996372.db2.gz TXHFQRTZBWBKND-CQSZACIVSA-N 2 1 247.342 1.117 20 0 BDADMP CCC1CCC([NH2+]C[C@@H](C[NH3+])C(=O)OC)CC1 ZINC001256867011 971002703 /nfs/dbraw/zinc/00/27/03/971002703.db2.gz SJOWILQROARWJR-MOENNCHZSA-N 2 1 242.363 1.293 20 0 BDADMP C([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1COC1 ZINC001256894441 971011699 /nfs/dbraw/zinc/01/16/99/971011699.db2.gz JVCJUGLMECGYLH-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP C([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1COC1 ZINC001256894441 971011711 /nfs/dbraw/zinc/01/17/11/971011711.db2.gz JVCJUGLMECGYLH-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+]1CC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224743604 973905359 /nfs/dbraw/zinc/90/53/59/973905359.db2.gz CQJBSXCGXDQVQO-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001257208556 971128024 /nfs/dbraw/zinc/12/80/24/971128024.db2.gz MTQLTVHHSGDIAM-STQMWFEESA-N 2 1 244.354 1.576 20 0 BDADMP CC(C)N1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC001257215729 971134343 /nfs/dbraw/zinc/13/43/43/971134343.db2.gz XPJVFXQTFSYWBU-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC001257215729 971134349 /nfs/dbraw/zinc/13/43/49/971134349.db2.gz XPJVFXQTFSYWBU-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC001257215729 971134353 /nfs/dbraw/zinc/13/43/53/971134353.db2.gz XPJVFXQTFSYWBU-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)N1CCC([N@@H+](C)[C@@H]2CCOC2)CC1 ZINC001257216776 971134977 /nfs/dbraw/zinc/13/49/77/971134977.db2.gz ILBILFYTSLQBFG-CYBMUJFWSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)[C@@H]2CCOC2)CC1 ZINC001257216776 971134981 /nfs/dbraw/zinc/13/49/81/971134981.db2.gz ILBILFYTSLQBFG-CYBMUJFWSA-N 2 1 226.364 1.580 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccns2)C1 ZINC000404507412 971170779 /nfs/dbraw/zinc/17/07/79/971170779.db2.gz NITRISMGBREBCL-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccns2)C1 ZINC000404507412 971170793 /nfs/dbraw/zinc/17/07/93/971170793.db2.gz NITRISMGBREBCL-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP CCc1ccc[nH+]c1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170560855 971184431 /nfs/dbraw/zinc/18/44/31/971184431.db2.gz APSOZCQVNNIGRY-JQWIXIFHSA-N 2 1 235.331 1.433 20 0 BDADMP CCc1cccc(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001170566544 971199470 /nfs/dbraw/zinc/19/94/70/971199470.db2.gz AYLSOPNKKDTPLZ-ZYHUDNBSSA-N 2 1 235.331 1.433 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)CC[N@H+]1C ZINC000405200765 971207244 /nfs/dbraw/zinc/20/72/44/971207244.db2.gz CPXSMZQDIUPCQD-FVCCEPFGSA-N 2 1 237.391 1.329 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n(C)n1 ZINC000405228077 971215055 /nfs/dbraw/zinc/21/50/55/971215055.db2.gz FAWDNZNLAJHIQH-VXGBXAGGSA-N 2 1 234.347 1.088 20 0 BDADMP Cc1ccoc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405251537 971218407 /nfs/dbraw/zinc/21/84/07/971218407.db2.gz DCYOTSIXDALZQU-NEPJUHHUSA-N 2 1 220.316 1.948 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405276875 971224615 /nfs/dbraw/zinc/22/46/15/971224615.db2.gz SBVRDHVSBGHYIC-WDEREUQCSA-N 2 1 220.320 1.078 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccoc2)C12CCC2 ZINC000405285069 971228426 /nfs/dbraw/zinc/22/84/26/971228426.db2.gz DJJDYABUHIBWRO-WDEREUQCSA-N 2 1 206.289 1.639 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)o1 ZINC000405274465 971228902 /nfs/dbraw/zinc/22/89/02/971228902.db2.gz QQEXKGTYYQYRKM-NEPJUHHUSA-N 2 1 220.316 1.948 20 0 BDADMP C[C@H](Nc1ccc2[nH]c[nH+]c2c1)[C@@H]1C[NH2+]CCO1 ZINC001170576751 971234318 /nfs/dbraw/zinc/23/43/18/971234318.db2.gz WVJLKPKXWUTBBD-ZANVPECISA-N 2 1 246.314 1.352 20 0 BDADMP CCCCCC[C@H](CC)[N@H+](CC[NH3+])CCO ZINC001170581869 971262494 /nfs/dbraw/zinc/26/24/94/971262494.db2.gz PWHCSYDTEPRFFF-ZDUSSCGKSA-N 2 1 230.396 1.988 20 0 BDADMP CCCCCC[C@H](CC)[N@@H+](CC[NH3+])CCO ZINC001170581869 971262498 /nfs/dbraw/zinc/26/24/98/971262498.db2.gz PWHCSYDTEPRFFF-ZDUSSCGKSA-N 2 1 230.396 1.988 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO[C@H]1C ZINC000405594844 971277774 /nfs/dbraw/zinc/27/77/74/971277774.db2.gz CCTZAGKAWUBIQK-QPEAPYPUSA-N 2 1 238.375 1.625 20 0 BDADMP CCCC[C@@H](CC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257410184 971304556 /nfs/dbraw/zinc/30/45/56/971304556.db2.gz NBHHFXHLSNYUMN-VXGBXAGGSA-N 2 1 244.379 1.825 20 0 BDADMP [NH3+]CCC[C@H]([NH3+])c1nnc(CC2CCCC2)o1 ZINC001217696394 971336925 /nfs/dbraw/zinc/33/69/25/971336925.db2.gz PSDCZGBHTVLRDK-JTQLQIEISA-N 2 1 238.335 1.541 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC001257437813 971351283 /nfs/dbraw/zinc/35/12/83/971351283.db2.gz OAFYYJWXTBBVMQ-SECBINFHSA-N 2 1 247.302 1.038 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCOCCCC[NH+](C)C)C1 ZINC001224991021 974123927 /nfs/dbraw/zinc/12/39/27/974123927.db2.gz LOMAFLKBFZTOTG-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP C[N@H+]1CCC[C@H](OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217832315 971427335 /nfs/dbraw/zinc/42/73/35/971427335.db2.gz NYUGRSFTLOCVEU-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[NH+]1CC(OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217829348 971424035 /nfs/dbraw/zinc/42/40/35/971424035.db2.gz IZCOFFWWZXTCPJ-LLVKDONJSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217865241 971458108 /nfs/dbraw/zinc/45/81/08/971458108.db2.gz IZLZXTVQCCCKAB-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+]([C@@H]1CCCSC1)CC2 ZINC001257679501 971484324 /nfs/dbraw/zinc/48/43/24/971484324.db2.gz DPDNMDSAWNMKHT-LLVKDONJSA-N 2 1 237.372 1.637 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+]([C@@H]1CCCSC1)CC2 ZINC001257679501 971484329 /nfs/dbraw/zinc/48/43/29/971484329.db2.gz DPDNMDSAWNMKHT-LLVKDONJSA-N 2 1 237.372 1.637 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCSC3)C2)C1 ZINC001257681008 971485197 /nfs/dbraw/zinc/48/51/97/971485197.db2.gz MZGXSWZKNZZMMA-QWHCGFSZSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCSC3)C2)C1 ZINC001257681008 971485201 /nfs/dbraw/zinc/48/52/01/971485201.db2.gz MZGXSWZKNZZMMA-QWHCGFSZSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCSC3)C2)C1 ZINC001257681008 971485208 /nfs/dbraw/zinc/48/52/08/971485208.db2.gz MZGXSWZKNZZMMA-QWHCGFSZSA-N 2 1 240.416 1.910 20 0 BDADMP CC(C)C[NH+]1CCC([N@@H+](C)CC2COC2)CC1 ZINC001258016126 971558646 /nfs/dbraw/zinc/55/86/46/971558646.db2.gz BBIGZQJUZRDYMQ-UHFFFAOYSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CCO)C2 ZINC001172108312 974372698 /nfs/dbraw/zinc/37/26/98/974372698.db2.gz UEVUTKYDVXBBQX-CLLJXQQHSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)CCO)C2 ZINC001172108312 974372709 /nfs/dbraw/zinc/37/27/09/974372709.db2.gz UEVUTKYDVXBBQX-CLLJXQQHSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170761611 971742329 /nfs/dbraw/zinc/74/23/29/971742329.db2.gz NURVXICRHSTWGG-KYGRNUTJSA-N 2 1 234.387 1.914 20 0 BDADMP CC(C)C(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310436309 971973294 /nfs/dbraw/zinc/97/32/94/971973294.db2.gz UPSLHCQDTMYBPT-CYBMUJFWSA-N 2 1 242.407 1.713 20 0 BDADMP CC(C)C(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310436309 971973295 /nfs/dbraw/zinc/97/32/95/971973295.db2.gz UPSLHCQDTMYBPT-CYBMUJFWSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cc2nccn2cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899879 972063061 /nfs/dbraw/zinc/06/30/61/972063061.db2.gz MVPAXPVQXVRJLV-NSHDSACASA-N 2 1 233.319 1.078 20 0 BDADMP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])c2[nH+]ccn2c1 ZINC001170901239 972068178 /nfs/dbraw/zinc/06/81/78/972068178.db2.gz XIUXOPVBLQRXBA-LLVKDONJSA-N 3 1 233.319 1.078 20 0 BDADMP Cn1cnc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000313254429 972070025 /nfs/dbraw/zinc/07/00/25/972070025.db2.gz SQODEKGIRKTYID-UHFFFAOYSA-N 2 1 248.374 1.179 20 0 BDADMP Cc1cc2[nH]ccc2c(N[C@H](N)CCC[NH3+])[nH+]1 ZINC001159785348 972113030 /nfs/dbraw/zinc/11/30/30/972113030.db2.gz PIUQZKFXBPAHAB-NSHDSACASA-N 2 1 233.319 1.307 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@](C)(O)c2ccccc2)C[C@H]1C[NH3+] ZINC001246016272 972117203 /nfs/dbraw/zinc/11/72/03/972117203.db2.gz JZCHYSTYLWGYGK-GZBFAFLISA-N 2 1 248.370 1.421 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246025543 972118263 /nfs/dbraw/zinc/11/82/63/972118263.db2.gz CIHZYIGUDZKXLS-IJLUTSLNSA-N 2 1 214.353 1.207 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246025543 972118267 /nfs/dbraw/zinc/11/82/67/972118267.db2.gz CIHZYIGUDZKXLS-IJLUTSLNSA-N 2 1 214.353 1.207 20 0 BDADMP CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246019522 972120581 /nfs/dbraw/zinc/12/05/81/972120581.db2.gz IPNVNMHRLXJTBK-SDDRHHMPSA-N 2 1 214.353 1.064 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246085162 972138915 /nfs/dbraw/zinc/13/89/15/972138915.db2.gz OFKDVKFOWMWQFX-QCNOEVLYSA-N 2 1 240.347 1.058 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246089910 972142109 /nfs/dbraw/zinc/14/21/09/972142109.db2.gz HREBXWNLHXCXHK-VXGBXAGGSA-N 2 1 222.332 1.942 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095531 972150278 /nfs/dbraw/zinc/15/02/78/972150278.db2.gz BLPFLHFPLATWEM-YHQUGGNUSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)C[NH2+]1 ZINC001246098747 972152704 /nfs/dbraw/zinc/15/27/04/972152704.db2.gz RYGOXWMRVFATLN-MQYQWHSLSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)C[NH2+]1 ZINC001246098749 972153200 /nfs/dbraw/zinc/15/32/00/972153200.db2.gz RYGOXWMRVFATLN-SYQHCUMBSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246102861 972160748 /nfs/dbraw/zinc/16/07/48/972160748.db2.gz SPXASISNCLYXKH-LPWJVIDDSA-N 3 1 239.407 1.351 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246102880 972161889 /nfs/dbraw/zinc/16/18/89/972161889.db2.gz SPXASISNCLYXKH-ZDEQEGDKSA-N 3 1 239.407 1.351 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCOC2)[NH2+]C1 ZINC001246106560 972169506 /nfs/dbraw/zinc/16/95/06/972169506.db2.gz DKSNAJXWGQZOTN-WOPDTQHZSA-N 2 1 212.337 1.143 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3C[NH2+]CC34CC4)C[C@@H]21 ZINC001246131375 972188470 /nfs/dbraw/zinc/18/84/70/972188470.db2.gz JQQUMNIMCRABDS-WISYIIOYSA-N 2 1 220.360 1.763 20 0 BDADMP C1CC12C[NH2+]C[C@H]2N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246131370 972188922 /nfs/dbraw/zinc/18/89/22/972188922.db2.gz JNRLLFPVMWIBPQ-BFHYXJOUSA-N 2 1 249.402 1.250 20 0 BDADMP CC(C)CCC[C@H](C)NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001220252220 972199553 /nfs/dbraw/zinc/19/95/53/972199553.db2.gz RQJRZOQVGUEQRH-SRVKXCTJSA-N 2 1 241.379 1.007 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246165416 972201402 /nfs/dbraw/zinc/20/14/02/972201402.db2.gz QKXGGVHFZVLPLI-LPWJVIDDSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246165348 972202074 /nfs/dbraw/zinc/20/20/74/972202074.db2.gz QKXGGVHFZVLPLI-FDYHWXHSSA-N 3 1 225.380 1.234 20 0 BDADMP C[N@H+]1CCC[C@@H](NC[C@@H]2CCC[NH2+]C2)CC1 ZINC001246197646 972214543 /nfs/dbraw/zinc/21/45/43/972214543.db2.gz BSJZOKCNZVFYPO-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC001246197646 972214550 /nfs/dbraw/zinc/21/45/50/972214550.db2.gz BSJZOKCNZVFYPO-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC001246197646 972214557 /nfs/dbraw/zinc/21/45/57/972214557.db2.gz BSJZOKCNZVFYPO-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP Cc1nc(N)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246200325 972214796 /nfs/dbraw/zinc/21/47/96/972214796.db2.gz PTVIDFLCOAFZMI-JOYOIKCWSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246202991 972217302 /nfs/dbraw/zinc/21/73/02/972217302.db2.gz QKXGGVHFZVLPLI-FVCCEPFGSA-N 3 1 225.380 1.234 20 0 BDADMP CCCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383169917 956899399 /nfs/dbraw/zinc/89/93/99/956899399.db2.gz NNEXKPXWSGSFRO-MEBFFEOJSA-N 2 1 238.375 1.389 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)C[NH2+]1 ZINC001246231977 972238633 /nfs/dbraw/zinc/23/86/33/972238633.db2.gz YNEXSQLLVGUJCN-RVMXOQNASA-N 3 1 225.380 1.234 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@]3(CCCO3)C2)C1 ZINC001208606129 957094256 /nfs/dbraw/zinc/09/42/56/957094256.db2.gz FHDNNRJBDIHTGE-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@]3(CCCO3)C2)C1 ZINC001208606129 957094266 /nfs/dbraw/zinc/09/42/66/957094266.db2.gz FHDNNRJBDIHTGE-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@]3(CCCO3)C2)C1 ZINC001208606129 957094279 /nfs/dbraw/zinc/09/42/79/957094279.db2.gz FHDNNRJBDIHTGE-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP COC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208603589 957095423 /nfs/dbraw/zinc/09/54/23/957095423.db2.gz FFJFXBLMDPGOMK-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208603589 957095439 /nfs/dbraw/zinc/09/54/39/957095439.db2.gz FFJFXBLMDPGOMK-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208603589 957095450 /nfs/dbraw/zinc/09/54/50/957095450.db2.gz FFJFXBLMDPGOMK-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603589 957095462 /nfs/dbraw/zinc/09/54/62/957095462.db2.gz FFJFXBLMDPGOMK-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH2+]CC[C@H](C)[NH2+]CC[C@H]1CCCC[NH2+]1 ZINC001246243361 972248559 /nfs/dbraw/zinc/24/85/59/972248559.db2.gz IAHBIIZGOFBDTO-NWDGAFQWSA-N 3 1 213.369 1.106 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc[nH]3)C[C@@H]2C1 ZINC000194534440 972253878 /nfs/dbraw/zinc/25/38/78/972253878.db2.gz IYUDQSLXQPHANI-PHIMTYICSA-N 2 1 205.305 1.008 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc[nH]3)C[C@@H]2C1 ZINC000194534440 972253887 /nfs/dbraw/zinc/25/38/87/972253887.db2.gz IYUDQSLXQPHANI-PHIMTYICSA-N 2 1 205.305 1.008 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@@H]2C1 ZINC000194534440 972253893 /nfs/dbraw/zinc/25/38/93/972253893.db2.gz IYUDQSLXQPHANI-PHIMTYICSA-N 2 1 205.305 1.008 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@@H]2C1 ZINC000194534440 972253898 /nfs/dbraw/zinc/25/38/98/972253898.db2.gz IYUDQSLXQPHANI-PHIMTYICSA-N 2 1 205.305 1.008 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000705532497 957308066 /nfs/dbraw/zinc/30/80/66/957308066.db2.gz MMDDUCPHUVDBLX-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CO1 ZINC000396923825 957363402 /nfs/dbraw/zinc/36/34/02/957363402.db2.gz LCXZRHAJJNVGNX-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000720733710 972261844 /nfs/dbraw/zinc/26/18/44/972261844.db2.gz CFTCCXXAGFCYDP-AWEZNQCLSA-N 2 1 246.354 1.935 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246306961 972268504 /nfs/dbraw/zinc/26/85/04/972268504.db2.gz UKJAVVFFRGUHFN-ZDEQEGDKSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246306961 972268510 /nfs/dbraw/zinc/26/85/10/972268510.db2.gz UKJAVVFFRGUHFN-ZDEQEGDKSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246306964 972267773 /nfs/dbraw/zinc/26/77/73/972267773.db2.gz UMUWZTMJSFMAQK-DZGCQCFKSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246306964 972267775 /nfs/dbraw/zinc/26/77/75/972267775.db2.gz UMUWZTMJSFMAQK-DZGCQCFKSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@H]([NH3+])CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246306961 972268499 /nfs/dbraw/zinc/26/84/99/972268499.db2.gz UKJAVVFFRGUHFN-ZDEQEGDKSA-N 2 1 225.380 1.329 20 0 BDADMP CCCNc1cc(C)[nH+]c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001167268554 957609308 /nfs/dbraw/zinc/60/93/08/957609308.db2.gz PCNGEKZTBBAJFE-NSHDSACASA-N 2 1 249.362 1.723 20 0 BDADMP CCCNc1cc(C)[nH+]c(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001167268554 957609313 /nfs/dbraw/zinc/60/93/13/957609313.db2.gz PCNGEKZTBBAJFE-NSHDSACASA-N 2 1 249.362 1.723 20 0 BDADMP Cc1c2[nH+]c[nH]c2ccc1N[C@H]1CC[N@H+](C)C1 ZINC001167275588 957620593 /nfs/dbraw/zinc/62/05/93/957620593.db2.gz TZSHNJGTGMUMIT-JTQLQIEISA-N 2 1 230.315 1.987 20 0 BDADMP C[N@H+]1CCC[C@@](C)(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246464971 972338691 /nfs/dbraw/zinc/33/86/91/972338691.db2.gz TWRHNVYREUGXGQ-QNMSZWNNSA-N 2 1 237.391 1.343 20 0 BDADMP CN1CCC[C@@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246464971 972338695 /nfs/dbraw/zinc/33/86/95/972338695.db2.gz TWRHNVYREUGXGQ-QNMSZWNNSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000399005457 958483492 /nfs/dbraw/zinc/48/34/92/958483492.db2.gz XMDMTBXMPKCQHN-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399025622 958489593 /nfs/dbraw/zinc/48/95/93/958489593.db2.gz JDDYBICGFAUTQI-NEPJUHHUSA-N 2 1 214.353 1.532 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399227157 958573129 /nfs/dbraw/zinc/57/31/29/958573129.db2.gz NOYWIERPOWEDMM-OCCSQVGLSA-N 2 1 248.370 1.968 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000693547838 958758391 /nfs/dbraw/zinc/75/83/91/958758391.db2.gz SURCZOIAASZCRA-BETUJISGSA-N 2 1 234.343 1.864 20 0 BDADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CCC[C@H]1O ZINC001207276498 958849200 /nfs/dbraw/zinc/84/92/00/958849200.db2.gz YJMIXRRQYGOVLD-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3CCC[C@H]32)C1 ZINC000693566980 958859202 /nfs/dbraw/zinc/85/92/02/958859202.db2.gz FFEZJLLNEHGDRK-WUHRBBMRSA-N 2 1 208.349 1.988 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCCCO1 ZINC000693580037 958869979 /nfs/dbraw/zinc/86/99/79/958869979.db2.gz SFSZPOGMWHFSEB-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]12C[C@H]1CCC2)C1CC1 ZINC000693619679 959007667 /nfs/dbraw/zinc/00/76/67/959007667.db2.gz IMVNFVHNQOJCBE-BNOWGMLFSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]12C[C@H]1CCC2)C1CC1 ZINC000693619679 959007683 /nfs/dbraw/zinc/00/76/83/959007683.db2.gz IMVNFVHNQOJCBE-BNOWGMLFSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)C[NH2+]1 ZINC000708244691 959264573 /nfs/dbraw/zinc/26/45/73/959264573.db2.gz VBPQPXBOERSBMS-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CCOC3)C2)C[NH2+]1 ZINC000708244691 959264579 /nfs/dbraw/zinc/26/45/79/959264579.db2.gz VBPQPXBOERSBMS-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP O=c1[nH]cccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237403 972414696 /nfs/dbraw/zinc/41/46/96/972414696.db2.gz ICSMXCPEVDPPCO-CQSZACIVSA-N 2 1 247.342 1.505 20 0 BDADMP O=c1[nH]cccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237403 972414702 /nfs/dbraw/zinc/41/47/02/972414702.db2.gz ICSMXCPEVDPPCO-CQSZACIVSA-N 2 1 247.342 1.505 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000300356329 959378725 /nfs/dbraw/zinc/37/87/25/959378725.db2.gz KDRXCKFHUDCNPO-LPWJVIDDSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000300356546 959379066 /nfs/dbraw/zinc/37/90/66/959379066.db2.gz MYLUIQFYIVDTAN-LOWDOPEQSA-N 2 1 210.365 1.962 20 0 BDADMP OCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222307964 972436405 /nfs/dbraw/zinc/43/64/05/972436405.db2.gz CVNLLSUKCKJKMO-CQSZACIVSA-N 2 1 240.391 1.757 20 0 BDADMP C(C[NH+]1CC2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001222335639 972439091 /nfs/dbraw/zinc/43/90/91/972439091.db2.gz ZUWROEXYLVFCGG-CYBMUJFWSA-N 3 1 237.391 1.062 20 0 BDADMP CC[NH+]1CCC([NH2+]CC2(F)CCC2)CC1 ZINC000309040439 959565610 /nfs/dbraw/zinc/56/56/10/959565610.db2.gz KWQMGDOOSKJRBT-UHFFFAOYSA-N 2 1 214.328 1.953 20 0 BDADMP CC[C@]1([NH2+]CC[C@H]2CCC[N@H+]2C)CCOC1 ZINC000393753665 959896653 /nfs/dbraw/zinc/89/66/53/959896653.db2.gz UVKDXRGBLSUQHL-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309377643 959896861 /nfs/dbraw/zinc/89/68/61/959896861.db2.gz GBAAKEUKADEIHS-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309377643 959896869 /nfs/dbraw/zinc/89/68/69/959896869.db2.gz GBAAKEUKADEIHS-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP [NH3+]Cc1ccc(O[C@H]2C[NH2+]CC2(F)F)cc1 ZINC001218235273 959906036 /nfs/dbraw/zinc/90/60/36/959906036.db2.gz AQTWBKFAYMXQHT-JTQLQIEISA-N 2 1 228.242 1.131 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@]1(C)CO ZINC000694672256 959955618 /nfs/dbraw/zinc/95/56/18/959955618.db2.gz JJOADEWAMZUFSJ-OCCSQVGLSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)O1 ZINC000694767070 959992483 /nfs/dbraw/zinc/99/24/83/959992483.db2.gz XMVJWXYBFFCVCS-FPYNETTCSA-N 2 1 226.364 1.673 20 0 BDADMP O[C@@]1(CF)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436801 960089851 /nfs/dbraw/zinc/08/98/51/960089851.db2.gz PXYXWNOPQMJQIG-ZDUSSCGKSA-N 2 1 244.354 1.173 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])CC1CCC2(CC2)CC1 ZINC000695583009 960293184 /nfs/dbraw/zinc/29/31/84/960293184.db2.gz NBRRYHBBJUXCDG-GFCCVEGCSA-N 2 1 226.364 1.208 20 0 BDADMP CC[C@H](O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000692581781 960307008 /nfs/dbraw/zinc/30/70/08/960307008.db2.gz WFIIEEJOEHFGLW-BJDJZHNGSA-N 2 1 214.353 1.205 20 0 BDADMP CC[C@H](O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000692581781 960307011 /nfs/dbraw/zinc/30/70/11/960307011.db2.gz WFIIEEJOEHFGLW-BJDJZHNGSA-N 2 1 214.353 1.205 20 0 BDADMP CC1=C[C@H](C)[C@@H](C[NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001222461255 972496509 /nfs/dbraw/zinc/49/65/09/972496509.db2.gz PSYIZCSVVMVCPG-QWHCGFSZSA-N 2 1 220.360 1.884 20 0 BDADMP Cc1[nH]c(CN2CCC[C@]23CCC[NH2+]C3)c(C)[nH+]1 ZINC001222252510 960516115 /nfs/dbraw/zinc/51/61/15/960516115.db2.gz GBIZQMQGEKPBFQ-AWEZNQCLSA-N 2 1 248.374 1.745 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccn1 ZINC000692743428 960559150 /nfs/dbraw/zinc/55/91/50/960559150.db2.gz BDGDSKAIYCQTMX-YRGRVCCFSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1O ZINC000709406948 960581064 /nfs/dbraw/zinc/58/10/64/960581064.db2.gz NOSXYCJBSKBCAQ-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000709414471 960582912 /nfs/dbraw/zinc/58/29/12/960582912.db2.gz HOEZJXKGEJKAFO-ZACCUICWSA-N 2 1 237.372 1.824 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802187 960588282 /nfs/dbraw/zinc/58/82/82/960588282.db2.gz QCRYJOMDSJKUHM-KOLCDFICSA-N 2 1 231.299 1.518 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802187 960588298 /nfs/dbraw/zinc/58/82/98/960588298.db2.gz QCRYJOMDSJKUHM-KOLCDFICSA-N 2 1 231.299 1.518 20 0 BDADMP C[N@H+]1CCC[C@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709466107 960612353 /nfs/dbraw/zinc/61/23/53/960612353.db2.gz XTFIMOMNUIUWLR-PIGZVRMJSA-N 2 1 237.391 1.343 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709466107 960612362 /nfs/dbraw/zinc/61/23/62/960612362.db2.gz XTFIMOMNUIUWLR-PIGZVRMJSA-N 3 1 237.391 1.343 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709466107 960612371 /nfs/dbraw/zinc/61/23/71/960612371.db2.gz XTFIMOMNUIUWLR-PIGZVRMJSA-N 3 1 237.391 1.343 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000692776939 960651711 /nfs/dbraw/zinc/65/17/11/960651711.db2.gz GSTVASMEFKKAQG-JQWIXIFHSA-N 2 1 208.305 1.552 20 0 BDADMP CC[N@H+](Cc1nccnc1C)C1CCN(C)CC1 ZINC001140937379 960723452 /nfs/dbraw/zinc/72/34/52/960723452.db2.gz BWTUGVVLVHYMGJ-UHFFFAOYSA-N 2 1 248.374 1.701 20 0 BDADMP CC(C)[NH+]1CC(OC2CC[NH+](C)CC2)C1 ZINC001222504201 972530772 /nfs/dbraw/zinc/53/07/72/972530772.db2.gz PWIDWHZXUQELGM-UHFFFAOYSA-N 2 1 212.337 1.190 20 0 BDADMP Cc1ncoc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206624370 960831684 /nfs/dbraw/zinc/83/16/84/960831684.db2.gz VGEJIPBVVQLCCQ-LLVKDONJSA-N 2 1 223.320 1.544 20 0 BDADMP CCc1cc(NCc2ccc(N)[nH+]c2C)cc[nH+]1 ZINC001167787482 960896975 /nfs/dbraw/zinc/89/69/75/960896975.db2.gz ZMOFDOJAJMJFCE-UHFFFAOYSA-N 2 1 242.326 1.964 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC12COC2 ZINC001167826074 961162225 /nfs/dbraw/zinc/16/22/25/961162225.db2.gz MFZOQQCRFCEDCT-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc2c[nH+]ccc2[nH]1 ZINC001276404573 961242043 /nfs/dbraw/zinc/24/20/43/961242043.db2.gz QAUQFCXRTCGRHR-BETUJISGSA-N 2 1 242.326 1.451 20 0 BDADMP N=C(Nc1ccccc1CC[NH3+])SCC[NH3+] ZINC001167911965 961820843 /nfs/dbraw/zinc/82/08/43/961820843.db2.gz HUVLYYIYYGSRSI-UHFFFAOYSA-N 2 1 238.360 1.226 20 0 BDADMP CCc1cc(N2CC3(C2)CCC[NH2+]C3)nc(C)[nH+]1 ZINC000710017052 962217693 /nfs/dbraw/zinc/21/76/93/962217693.db2.gz URYQHRKVADSPMS-UHFFFAOYSA-N 2 1 246.358 1.537 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](CF)C2)C[NH2+]1 ZINC000711464794 962714238 /nfs/dbraw/zinc/71/42/38/962714238.db2.gz IYIFSCDOEXLBJN-IJLUTSLNSA-N 2 1 214.328 1.808 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](CF)C2)C[NH2+]1 ZINC000711464794 962714244 /nfs/dbraw/zinc/71/42/44/962714244.db2.gz IYIFSCDOEXLBJN-IJLUTSLNSA-N 2 1 214.328 1.808 20 0 BDADMP Nc1ccc[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154974321 962926056 /nfs/dbraw/zinc/92/60/56/962926056.db2.gz DAAWYVKVDHQTOZ-BDAKNGLRSA-N 2 1 206.293 1.346 20 0 BDADMP Cc1nc(NC[C@H]2C[NH2+][C@H](C)C2)cc(N(C)C)[nH+]1 ZINC001155095992 962973704 /nfs/dbraw/zinc/97/37/04/962973704.db2.gz WHIZDVZILLGBOM-MWLCHTKSSA-N 2 1 249.362 1.261 20 0 BDADMP C[C@@H]1C[C@@H](CNc2[nH+]cnc3c2ccn3C)C[NH2+]1 ZINC001155101080 962976633 /nfs/dbraw/zinc/97/66/33/962976633.db2.gz IWQFIFIGTVPWLU-NXEZZACHSA-N 2 1 245.330 1.378 20 0 BDADMP [NH3+][C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964471 962993091 /nfs/dbraw/zinc/99/30/91/962993091.db2.gz QSEHRYSSSONYCZ-JKXDFHQYSA-N 2 1 249.402 1.425 20 0 BDADMP CC(C)(C)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000713252838 963158254 /nfs/dbraw/zinc/15/82/54/963158254.db2.gz WSQYLUIYRRCZRP-SECBINFHSA-N 2 1 220.307 1.948 20 0 BDADMP C[N@H+]1CC[C@H](Nc2cc(-n3ccnc3)cc[nH+]2)C1 ZINC001156581605 963393136 /nfs/dbraw/zinc/39/31/36/963393136.db2.gz WGCBIAAQHWSKQQ-NSHDSACASA-N 2 1 243.314 1.383 20 0 BDADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000696779265 963479096 /nfs/dbraw/zinc/47/90/96/963479096.db2.gz QNLWDIHYIAYIIJ-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1c[nH+]c(N2CC[C@@](F)(C[NH3+])C2)c(C)c1 ZINC001157812731 963733975 /nfs/dbraw/zinc/73/39/75/963733975.db2.gz GZEJMNKDKLLGDB-GFCCVEGCSA-N 2 1 223.295 1.576 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168141801 963847639 /nfs/dbraw/zinc/84/76/39/963847639.db2.gz JZUVISBUAOHDIO-GXTWGEPZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+]1CCN(c2cc(N)c(C)c[nH+]2)C(C)(C)C1 ZINC001158561599 963887405 /nfs/dbraw/zinc/88/74/05/963887405.db2.gz HPKNYBNPRWYOSU-UHFFFAOYSA-N 2 1 248.374 1.893 20 0 BDADMP CCc1cc(NCC(C)(C)[NH3+])nc(C)[nH+]1 ZINC000168412570 964091951 /nfs/dbraw/zinc/09/19/51/964091951.db2.gz HHUCOQJJMRFIPQ-UHFFFAOYSA-N 2 1 208.309 1.497 20 0 BDADMP C[C@H](Nc1cc(C2CC2)cc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159500964 964114587 /nfs/dbraw/zinc/11/45/87/964114587.db2.gz UIFWTKUWGOFYRB-GWCFXTLKSA-N 2 1 247.342 1.748 20 0 BDADMP CC[C@]([NH3+])(CO)Nc1[nH+]c(C)cc2[nH]ccc21 ZINC001159744132 964178124 /nfs/dbraw/zinc/17/81/24/964178124.db2.gz PFBGHUCJWUHAFR-GFCCVEGCSA-N 2 1 234.303 1.341 20 0 BDADMP Cc1c[nH+]c(NCC[C@@H](C)[NH3+])nc1NC(C)C ZINC001159772779 964187276 /nfs/dbraw/zinc/18/72/76/964187276.db2.gz PPOVDXUQNLAGDW-SNVBAGLBSA-N 2 1 237.351 1.755 20 0 BDADMP C[NH+](C)C1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001168295213 964386995 /nfs/dbraw/zinc/38/69/95/964386995.db2.gz WNANQIZKJLXQJJ-UHFFFAOYSA-N 3 1 213.369 1.186 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H]2CO)CC1 ZINC001168314301 964421170 /nfs/dbraw/zinc/42/11/70/964421170.db2.gz CLZBGJBLPCYPPO-JXQTWKCFSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1COCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315485 964424444 /nfs/dbraw/zinc/42/44/44/964424444.db2.gz WEFHVSSWVAWRCL-PNESKVBLSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315555 964426903 /nfs/dbraw/zinc/42/69/03/964426903.db2.gz YRCRXEOAWQYLCF-WXRRBKDZSA-N 2 1 226.364 1.580 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCCOCC2)CC1 ZINC001168315904 964431285 /nfs/dbraw/zinc/43/12/85/964431285.db2.gz QITDGBGWBAZHEN-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC001168330199 964465484 /nfs/dbraw/zinc/46/54/84/964465484.db2.gz NEXMNAKVXURTKV-JXQTWKCFSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]C/C=C/CNc1cc(C2CC2)cc[nH+]1 ZINC001160982472 964467550 /nfs/dbraw/zinc/46/75/50/964467550.db2.gz FIIRDYIEUVBGPN-OWOJBTEDSA-N 2 1 203.289 1.886 20 0 BDADMP COc1[nH+]ccc(NCCCC[NH+](C)C)c1N ZINC001161730746 964720877 /nfs/dbraw/zinc/72/08/77/964720877.db2.gz DUYJKUKWKOBQMB-UHFFFAOYSA-N 2 1 238.335 1.426 20 0 BDADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOC1 ZINC000159803407 964782664 /nfs/dbraw/zinc/78/26/64/964782664.db2.gz FOMNXUJDLOODIA-WTUNAVPPSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1CCCC[C@H]1CO[C@@H]1CCc2[nH+]ccn2C1 ZINC001224707730 964894891 /nfs/dbraw/zinc/89/48/91/964894891.db2.gz SLJFLFWEPNLJJT-QWHCGFSZSA-N 2 1 249.358 1.699 20 0 BDADMP C[N@H+]1CCCC[C@H]1CO[C@@H]1CCc2[nH+]ccn2C1 ZINC001224707730 964894897 /nfs/dbraw/zinc/89/48/97/964894897.db2.gz SLJFLFWEPNLJJT-QWHCGFSZSA-N 2 1 249.358 1.699 20 0 BDADMP O[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371467 964939707 /nfs/dbraw/zinc/93/97/07/964939707.db2.gz MDPDCNFDQBFEBT-AWEZNQCLSA-N 2 1 238.375 1.318 20 0 BDADMP Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)nc(C)[nH+]1 ZINC001162554423 965042686 /nfs/dbraw/zinc/04/26/86/965042686.db2.gz ARWNDNZTAJGACE-LDYMZIIASA-N 2 1 220.320 1.503 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C)C1 ZINC001224921927 965090514 /nfs/dbraw/zinc/09/05/14/965090514.db2.gz BKYDHJUNGBUZCO-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP Cc1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162789766 965176826 /nfs/dbraw/zinc/17/68/26/965176826.db2.gz LOIBCWQXKFWFKH-IJLUTSLNSA-N 2 1 215.300 1.576 20 0 BDADMP Cc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c(C)c(C)[nH+]1 ZINC001162801120 965188742 /nfs/dbraw/zinc/18/87/42/965188742.db2.gz GQHINUSDNHTPPV-RWMBFGLXSA-N 2 1 244.342 1.588 20 0 BDADMP Nc1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c[nH+]1 ZINC001162983519 965218440 /nfs/dbraw/zinc/21/84/40/965218440.db2.gz ZHQSCSPGNNWCRN-CMPLNLGQSA-N 2 1 218.304 1.360 20 0 BDADMP Cc1ccc(NCC[C@H]2CCOC23C[NH2+]C3)[nH+]c1 ZINC001163079556 965255200 /nfs/dbraw/zinc/25/52/00/965255200.db2.gz BQTCNWJWESPVCY-LBPRGKRZSA-N 2 1 247.342 1.571 20 0 BDADMP CCc1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]c1 ZINC001163154412 965269847 /nfs/dbraw/zinc/26/98/47/965269847.db2.gz LXHQAYUWURLBIN-JSGCOSHPSA-N 2 1 247.342 1.292 20 0 BDADMP CCc1ccc[nH+]c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163193195 965293812 /nfs/dbraw/zinc/29/38/12/965293812.db2.gz NGEVOFZTXITXHA-DGCLKSJQSA-N 2 1 233.315 1.187 20 0 BDADMP Nc1nc(N[C@H](C[NH3+])c2ccccc2)cc[nH+]1 ZINC001163297628 965327238 /nfs/dbraw/zinc/32/72/38/965327238.db2.gz GVACECZSNXTCLX-SNVBAGLBSA-N 2 1 229.287 1.171 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1cc[nH+]c(CO)c1 ZINC001120824095 965421839 /nfs/dbraw/zinc/42/18/39/965421839.db2.gz IIOUPTMJJBHOHP-IINYFYTJSA-N 2 1 247.342 1.469 20 0 BDADMP CN(CCC[NH+](C)C)c1nc(NC2CC2)cc[nH+]1 ZINC001163595676 965472621 /nfs/dbraw/zinc/47/26/21/965472621.db2.gz STJIZEODNZPREA-UHFFFAOYSA-N 2 1 249.362 1.439 20 0 BDADMP COc1[nH+]ccc(N[C@@H](C)C[NH+](C)C)c1N ZINC001163778976 965584911 /nfs/dbraw/zinc/58/49/11/965584911.db2.gz SYXSZTGWFOHSTN-QMMMGPOBSA-N 2 1 224.308 1.034 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093799 965720069 /nfs/dbraw/zinc/72/00/69/965720069.db2.gz GFUXGTFWPDVWJI-NSHDSACASA-N 2 1 207.321 1.338 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)[nH]n1 ZINC001205094280 965726189 /nfs/dbraw/zinc/72/61/89/965726189.db2.gz LAORLHOKFKTYTD-JTQLQIEISA-N 2 1 208.309 1.031 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)[nH]n1 ZINC001205094280 965726196 /nfs/dbraw/zinc/72/61/96/965726196.db2.gz LAORLHOKFKTYTD-JTQLQIEISA-N 2 1 208.309 1.031 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095033 965733707 /nfs/dbraw/zinc/73/37/07/965733707.db2.gz SXVLLKYKSVRPAH-NSHDSACASA-N 2 1 226.364 1.805 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095029 965734945 /nfs/dbraw/zinc/73/49/45/965734945.db2.gz SXRVMYWSABDGPY-GFCCVEGCSA-N 3 1 213.369 1.319 20 0 BDADMP C[C@]1(C[NH3+])CCCN(c2cc(N)[nH+]cn2)CC1 ZINC001164247191 965810642 /nfs/dbraw/zinc/81/06/42/965810642.db2.gz GSKFIQGSSJHECZ-LBPRGKRZSA-N 2 1 235.335 1.014 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccn3ccnc3c2)CC1 ZINC001205110130 965836533 /nfs/dbraw/zinc/83/65/33/965836533.db2.gz PGTMZQRSACGAFH-ZDUSSCGKSA-N 2 1 244.342 1.648 20 0 BDADMP CN(C)c1cccc(N2CC(C)([NH+](C)C)C2)[nH+]1 ZINC001165116487 965964637 /nfs/dbraw/zinc/96/46/37/965964637.db2.gz DLLXRVGDOJNJTO-UHFFFAOYSA-N 2 1 234.347 1.288 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1COC[C@H]1C ZINC000699625630 966012168 /nfs/dbraw/zinc/01/21/68/966012168.db2.gz HGIXABOAYYMJEX-PWSUYJOCSA-N 2 1 223.320 1.206 20 0 BDADMP C[N@@H+]1CCC[C@@H](CCNc2ccc(N)[nH+]c2)C1 ZINC001165278808 966025277 /nfs/dbraw/zinc/02/52/77/966025277.db2.gz MMJMDSFFJSGMHB-NSHDSACASA-N 2 1 234.347 1.808 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2ccc(N)[nH+]c2)C1 ZINC001165278808 966025294 /nfs/dbraw/zinc/02/52/94/966025294.db2.gz MMJMDSFFJSGMHB-NSHDSACASA-N 2 1 234.347 1.808 20 0 BDADMP C[N@@H+]1CCC[C@H](CCNc2cc[nH+]c(CN)c2)C1 ZINC001165289680 966027662 /nfs/dbraw/zinc/02/76/62/966027662.db2.gz IJIOXBRZOJOTLJ-GFCCVEGCSA-N 2 1 248.374 1.684 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2cc[nH+]c(CN)c2)C1 ZINC001165289680 966027672 /nfs/dbraw/zinc/02/76/72/966027672.db2.gz IJIOXBRZOJOTLJ-GFCCVEGCSA-N 2 1 248.374 1.684 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1CCC12CC([NH3+])(C1)C2 ZINC001235453104 966062547 /nfs/dbraw/zinc/06/25/47/966062547.db2.gz SNXJNXYGXYKNIY-HSBZDZAISA-N 2 1 237.391 1.188 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1CCC12CC([NH3+])(C1)C2 ZINC001235453104 966062559 /nfs/dbraw/zinc/06/25/59/966062559.db2.gz SNXJNXYGXYKNIY-HSBZDZAISA-N 2 1 237.391 1.188 20 0 BDADMP COC1CCC(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236014568 966228003 /nfs/dbraw/zinc/22/80/03/966228003.db2.gz HVQGCKBNDUPMJT-POOIEITISA-N 2 1 224.348 1.225 20 0 BDADMP COC1CCC(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236014568 966228011 /nfs/dbraw/zinc/22/80/11/966228011.db2.gz HVQGCKBNDUPMJT-POOIEITISA-N 2 1 224.348 1.225 20 0 BDADMP CC1(C[NH3+])C[NH+](Cc2cccc3[nH]ccc32)C1 ZINC001206711901 966257551 /nfs/dbraw/zinc/25/75/51/966257551.db2.gz QAYDIYOXVGMTAP-UHFFFAOYSA-N 2 1 229.327 1.949 20 0 BDADMP CC1(C[NH3+])C[NH+](CCc2ccccc2)C1 ZINC001206712249 966262133 /nfs/dbraw/zinc/26/21/33/966262133.db2.gz YUJQPMXLAKQFKJ-UHFFFAOYSA-N 2 1 204.317 1.510 20 0 BDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]nn1)CC2 ZINC001203211501 966554140 /nfs/dbraw/zinc/55/41/40/966554140.db2.gz GOXZHMGZXOTDSX-UHFFFAOYSA-N 2 1 249.362 1.113 20 0 BDADMP CCC1(Nc2cc(C)cn3cc[nH+]c23)C[NH2+]C1 ZINC001168582942 966928526 /nfs/dbraw/zinc/92/85/26/966928526.db2.gz DZNJJDNFNCGXMM-UHFFFAOYSA-N 2 1 230.315 1.807 20 0 BDADMP Cc1nc[nH]c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001204593360 967088605 /nfs/dbraw/zinc/08/86/05/967088605.db2.gz XENIMKMBSHFIIP-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP CC1(C)NC[C@@H](C[N@H+]2CCCC23CC3)O1 ZINC001204748442 967146976 /nfs/dbraw/zinc/14/69/76/967146976.db2.gz LJZSQRGGIKJTIC-JTQLQIEISA-N 2 1 210.321 1.339 20 0 BDADMP CC1(C)[NH2+]C[C@@H](CN2CCCC23CC3)O1 ZINC001204748442 967146986 /nfs/dbraw/zinc/14/69/86/967146986.db2.gz LJZSQRGGIKJTIC-JTQLQIEISA-N 2 1 210.321 1.339 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCCC23CC3)O1 ZINC001204748442 967146993 /nfs/dbraw/zinc/14/69/93/967146993.db2.gz LJZSQRGGIKJTIC-JTQLQIEISA-N 2 1 210.321 1.339 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCCC23CC3)O1 ZINC001204748442 967147000 /nfs/dbraw/zinc/14/70/00/967147000.db2.gz LJZSQRGGIKJTIC-JTQLQIEISA-N 2 1 210.321 1.339 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001204762728 967154343 /nfs/dbraw/zinc/15/43/43/967154343.db2.gz BKEXZEBEMKBZHV-OAHLLOKOSA-N 2 1 230.355 1.825 20 0 BDADMP C[NH+](C)C1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000715583047 967193116 /nfs/dbraw/zinc/19/31/16/967193116.db2.gz INEGFKOCRCVBAT-OTTFEQOBSA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001204932264 967238983 /nfs/dbraw/zinc/23/89/83/967238983.db2.gz ITMCRPFMWDTFFE-ZDUSSCGKSA-N 2 1 245.370 1.968 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCN2 ZINC001204932264 967238995 /nfs/dbraw/zinc/23/89/95/967238995.db2.gz ITMCRPFMWDTFFE-ZDUSSCGKSA-N 2 1 245.370 1.968 20 0 BDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000691352320 967262441 /nfs/dbraw/zinc/26/24/41/967262441.db2.gz XROASRFJBFQDFQ-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1cccnc1 ZINC001205063917 967311702 /nfs/dbraw/zinc/31/17/02/967311702.db2.gz FAWDUHVZLGDAAR-JSGCOSHPSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1cccnc1 ZINC001205063917 967311709 /nfs/dbraw/zinc/31/17/09/967311709.db2.gz FAWDUHVZLGDAAR-JSGCOSHPSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc2c[nH]nc21 ZINC001205075319 967324968 /nfs/dbraw/zinc/32/49/68/967324968.db2.gz IAMZILJALXFKAW-GWCFXTLKSA-N 2 1 244.342 1.875 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2c[nH]nc21 ZINC001205075319 967324978 /nfs/dbraw/zinc/32/49/78/967324978.db2.gz IAMZILJALXFKAW-GWCFXTLKSA-N 2 1 244.342 1.875 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2c[nH]nc21 ZINC001205075319 967324986 /nfs/dbraw/zinc/32/49/86/967324986.db2.gz IAMZILJALXFKAW-GWCFXTLKSA-N 2 1 244.342 1.875 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094150 967339794 /nfs/dbraw/zinc/33/97/94/967339794.db2.gz JBCLOQXSCWNAII-LLVKDONJSA-N 2 1 208.309 1.031 20 0 BDADMP [NH3+][C@@H]1CCCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001205094162 967340186 /nfs/dbraw/zinc/34/01/86/967340186.db2.gz JNRJYTFARNPRRQ-GFCCVEGCSA-N 2 1 244.342 1.648 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109947 967357932 /nfs/dbraw/zinc/35/79/32/967357932.db2.gz NNQPVLQQEDJUSF-JTQLQIEISA-N 2 1 209.293 1.296 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109947 967357936 /nfs/dbraw/zinc/35/79/36/967357936.db2.gz NNQPVLQQEDJUSF-JTQLQIEISA-N 2 1 209.293 1.296 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205116703 967366101 /nfs/dbraw/zinc/36/61/01/967366101.db2.gz GUQATAOSBMHCPZ-GFCCVEGCSA-N 3 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205116703 967366105 /nfs/dbraw/zinc/36/61/05/967366105.db2.gz GUQATAOSBMHCPZ-GFCCVEGCSA-N 3 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)CC1 ZINC001205117927 967366935 /nfs/dbraw/zinc/36/69/35/967366935.db2.gz ZBMPBJOYMFDPND-CYBMUJFWSA-N 2 1 244.342 1.876 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1C[NH3+] ZINC001205130672 967377107 /nfs/dbraw/zinc/37/71/07/967377107.db2.gz LHRFFFXHJHNASA-ODXJTPSBSA-N 2 1 220.360 1.725 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(F)n2)C[C@H]1C[NH3+] ZINC001205140329 967390958 /nfs/dbraw/zinc/39/09/58/967390958.db2.gz HCSWTGLHPRYIBJ-VHSXEESVSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(F)n2)C[C@H]1C[NH3+] ZINC001205140329 967390969 /nfs/dbraw/zinc/39/09/69/967390969.db2.gz HCSWTGLHPRYIBJ-VHSXEESVSA-N 2 1 223.295 1.247 20 0 BDADMP CCOc1ncccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145818 967391072 /nfs/dbraw/zinc/39/10/72/967391072.db2.gz IZUFXPUYVBBDEH-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP CCOc1ncccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145818 967391086 /nfs/dbraw/zinc/39/10/86/967391086.db2.gz IZUFXPUYVBBDEH-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnn3ccccc23)C[C@H]1C[NH3+] ZINC001205145746 967392162 /nfs/dbraw/zinc/39/21/62/967392162.db2.gz FCBKVRVJUQUNHZ-NWDGAFQWSA-N 2 1 244.342 1.361 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc3cncn32)C[C@H]1C[NH3+] ZINC001205151076 967396477 /nfs/dbraw/zinc/39/64/77/967396477.db2.gz OQLVMKAKKIVGQA-NWDGAFQWSA-N 2 1 244.342 1.361 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3cncn32)C[C@H]1C[NH3+] ZINC001205151076 967396487 /nfs/dbraw/zinc/39/64/87/967396487.db2.gz OQLVMKAKKIVGQA-NWDGAFQWSA-N 3 1 244.342 1.361 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000691359792 967400143 /nfs/dbraw/zinc/40/01/43/967400143.db2.gz NYPRPNPDDCGAMP-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CSCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257533 967444785 /nfs/dbraw/zinc/44/47/85/967444785.db2.gz WKKSUKYIISLPPR-NSHDSACASA-N 2 1 216.394 1.943 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257509 967447032 /nfs/dbraw/zinc/44/70/32/967447032.db2.gz WEVUFYSPGDDVST-GFCCVEGCSA-N 2 1 228.336 1.143 20 0 BDADMP c1n[nH]cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001240242129 967461371 /nfs/dbraw/zinc/46/13/71/967461371.db2.gz HULZIIMJDPLLAQ-UHFFFAOYSA-N 2 1 239.282 1.411 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274575 967466074 /nfs/dbraw/zinc/46/60/74/967466074.db2.gz XYEWHQXLFJESJU-GFCCVEGCSA-N 2 1 223.320 1.686 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274575 967466078 /nfs/dbraw/zinc/46/60/78/967466078.db2.gz XYEWHQXLFJESJU-GFCCVEGCSA-N 2 1 223.320 1.686 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC001205280768 967473118 /nfs/dbraw/zinc/47/31/18/967473118.db2.gz IKXCZCCULCROAG-CQSZACIVSA-N 2 1 233.359 1.972 20 0 BDADMP CCn1cncc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205287708 967479947 /nfs/dbraw/zinc/47/99/47/967479947.db2.gz AZKJAPNCFRLYLI-ZDUSSCGKSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1cncc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205287708 967479957 /nfs/dbraw/zinc/47/99/57/967479957.db2.gz AZKJAPNCFRLYLI-ZDUSSCGKSA-N 2 1 236.363 1.606 20 0 BDADMP COc1ccoc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205287812 967482744 /nfs/dbraw/zinc/48/27/44/967482744.db2.gz CRAIITCHNAFFIG-ZDUSSCGKSA-N 2 1 238.331 1.992 20 0 BDADMP COc1ccoc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205287812 967482753 /nfs/dbraw/zinc/48/27/53/967482753.db2.gz CRAIITCHNAFFIG-ZDUSSCGKSA-N 2 1 238.331 1.992 20 0 BDADMP C[C@@H]1CCNCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205324907 967530266 /nfs/dbraw/zinc/53/02/66/967530266.db2.gz HUIFHYMINGORPK-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC001205324907 967530288 /nfs/dbraw/zinc/53/02/88/967530288.db2.gz HUIFHYMINGORPK-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2c1CCN2 ZINC001205332366 967549955 /nfs/dbraw/zinc/54/99/55/967549955.db2.gz PTDMGKPTWRZQEU-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c1CCN2 ZINC001205332366 967549964 /nfs/dbraw/zinc/54/99/64/967549964.db2.gz PTDMGKPTWRZQEU-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP CC1(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)COC1 ZINC001205539257 967684083 /nfs/dbraw/zinc/68/40/83/967684083.db2.gz VDNMZNCAODMYQK-GFCCVEGCSA-N 2 1 230.327 1.176 20 0 BDADMP Cn1ccnc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546244 967692834 /nfs/dbraw/zinc/69/28/34/967692834.db2.gz SQRXJPSOQYKRGN-LBPRGKRZSA-N 2 1 240.326 1.073 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cncnc2)CC1 ZINC001205558810 967696566 /nfs/dbraw/zinc/69/65/66/967696566.db2.gz IXGRKVNVUORGSX-LBPRGKRZSA-N 2 1 238.310 1.130 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc[nH]c2)CC1 ZINC001205571260 967700857 /nfs/dbraw/zinc/70/08/57/967700857.db2.gz SCJWXMPHRSFVBH-LBPRGKRZSA-N 2 1 225.311 1.668 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccns2)CC1 ZINC001205582748 967707565 /nfs/dbraw/zinc/70/75/65/967707565.db2.gz YMKPNWPQTPSUPH-NSHDSACASA-N 2 1 243.351 1.796 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnco2)CC[C@@H]1C[NH3+] ZINC001205627605 967732874 /nfs/dbraw/zinc/73/28/74/967732874.db2.gz RDLHOQYTZBBGRH-GHMZBOCLSA-N 2 1 223.320 1.481 20 0 BDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205629482 967738534 /nfs/dbraw/zinc/73/85/34/967738534.db2.gz ZEJLMBXHHIIAGH-YPMHNXCESA-N 2 1 248.374 1.592 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001205664578 967756404 /nfs/dbraw/zinc/75/64/04/967756404.db2.gz OIXWQCQORBCETC-KGLIPLIRSA-N 2 1 238.375 1.518 20 0 BDADMP Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205683098 967779013 /nfs/dbraw/zinc/77/90/13/967779013.db2.gz XOIWEKHAYNIBNQ-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205683098 967779025 /nfs/dbraw/zinc/77/90/25/967779025.db2.gz XOIWEKHAYNIBNQ-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP CCC1(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)COC1 ZINC001205734927 967809138 /nfs/dbraw/zinc/80/91/38/967809138.db2.gz HNLPZDPJQAISOZ-JTQLQIEISA-N 2 1 248.317 1.329 20 0 BDADMP C[C@@H]1CC[N@H+](CCCc2ccncc2)C[C@@H]1[NH3+] ZINC001205863505 967863080 /nfs/dbraw/zinc/86/30/80/967863080.db2.gz ZMHZDGZPOYVECX-OCCSQVGLSA-N 2 1 233.359 1.683 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCc2ccncc2)C[C@@H]1[NH3+] ZINC001205863505 967863082 /nfs/dbraw/zinc/86/30/82/967863082.db2.gz ZMHZDGZPOYVECX-OCCSQVGLSA-N 2 1 233.359 1.683 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(N)c1 ZINC001205916117 967880260 /nfs/dbraw/zinc/88/02/60/967880260.db2.gz RXFCOWLHLNUGNP-YPMHNXCESA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903033 967881066 /nfs/dbraw/zinc/88/10/66/967881066.db2.gz NDRCOINVFWPWEK-OLZOCXBDSA-N 3 1 239.407 1.435 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@H]1O ZINC001205959747 967903561 /nfs/dbraw/zinc/90/35/61/967903561.db2.gz VCKGDBPGAKMYJF-CHWSQXEVSA-N 2 1 245.326 1.062 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981124 967922179 /nfs/dbraw/zinc/92/21/79/967922179.db2.gz BSWDEGZICNXRCN-NWDGAFQWSA-N 2 1 242.363 1.246 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981121 967924121 /nfs/dbraw/zinc/92/41/21/967924121.db2.gz BSWDEGZICNXRCN-NEPJUHHUSA-N 2 1 242.363 1.246 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)[nH]n1 ZINC001205982524 967929609 /nfs/dbraw/zinc/92/96/09/967929609.db2.gz MGJUNUAGTKMMLO-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)n[nH]1 ZINC001205982524 967929622 /nfs/dbraw/zinc/92/96/22/967929622.db2.gz MGJUNUAGTKMMLO-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)n[nH]1 ZINC001205982524 967929628 /nfs/dbraw/zinc/92/96/28/967929628.db2.gz MGJUNUAGTKMMLO-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001205983915 967936917 /nfs/dbraw/zinc/93/69/17/967936917.db2.gz PYGCIIGLUWMDHC-YPMHNXCESA-N 2 1 248.374 1.592 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncccn2)CCC[C@@H]1C[NH3+] ZINC001205991782 967944316 /nfs/dbraw/zinc/94/43/16/967944316.db2.gz BZYLDAKSPBECIH-NWDGAFQWSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cscn2)CCC[C@H]1C[NH3+] ZINC001205995541 967948050 /nfs/dbraw/zinc/94/80/50/967948050.db2.gz OYJFJGSWKDXUAG-MNOVXSKESA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc[nH]2)CCC[C@H]1C[NH3+] ZINC001205992804 967951872 /nfs/dbraw/zinc/95/18/72/967951872.db2.gz GCJMMRANJXMERQ-NEPJUHHUSA-N 2 1 221.348 1.822 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccncc2O)CCC[C@@H]1C[NH3+] ZINC001206003911 967959168 /nfs/dbraw/zinc/95/91/68/967959168.db2.gz NNPIFLZQVSAZDB-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2O)CCC[C@@H]1C[NH3+] ZINC001206003911 967959179 /nfs/dbraw/zinc/95/91/79/967959179.db2.gz NNPIFLZQVSAZDB-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccns2)CCC[C@@H]1C[NH3+] ZINC001206012391 967965854 /nfs/dbraw/zinc/96/58/54/967965854.db2.gz LAIISDODMSMKPU-WDEREUQCSA-N 2 1 239.388 1.950 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206024532 967985301 /nfs/dbraw/zinc/98/53/01/967985301.db2.gz JSNNUPCLZRYHEO-YPMHNXCESA-N 2 1 248.374 1.592 20 0 BDADMP C[C@@H]1CN(Cc2[nH+]cc3ccccn32)C[C@H]1[NH3+] ZINC001206053272 968023389 /nfs/dbraw/zinc/02/33/89/968023389.db2.gz PHBPQSOCOYGGLA-ZYHUDNBSSA-N 2 1 230.315 1.113 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCCn2cccn2)CC[C@H]1F ZINC001206154445 968089528 /nfs/dbraw/zinc/08/95/28/968089528.db2.gz JBOGOFBDYZXSSR-NEPJUHHUSA-N 2 1 240.326 1.034 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCCn2cccn2)CC[C@H]1F ZINC001206154445 968089537 /nfs/dbraw/zinc/08/95/37/968089537.db2.gz JBOGOFBDYZXSSR-NEPJUHHUSA-N 2 1 240.326 1.034 20 0 BDADMP Cc1ccnc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206164198 968101148 /nfs/dbraw/zinc/10/11/48/968101148.db2.gz JLTYGTDADOMDFF-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccnc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206164198 968101156 /nfs/dbraw/zinc/10/11/56/968101156.db2.gz JLTYGTDADOMDFF-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206165346 968103940 /nfs/dbraw/zinc/10/39/40/968103940.db2.gz NLGHSJBLUUIHOT-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206165346 968103955 /nfs/dbraw/zinc/10/39/55/968103955.db2.gz NLGHSJBLUUIHOT-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccnc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206164197 968104997 /nfs/dbraw/zinc/10/49/97/968104997.db2.gz JLTYGTDADOMDFF-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccnc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206164197 968105010 /nfs/dbraw/zinc/10/50/10/968105010.db2.gz JLTYGTDADOMDFF-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)CCN3)C1 ZINC001206276508 968191213 /nfs/dbraw/zinc/19/12/13/968191213.db2.gz FJKCNRNUBOQXLU-LBPRGKRZSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)CCN3)C1 ZINC001206276508 968191217 /nfs/dbraw/zinc/19/12/17/968191217.db2.gz FJKCNRNUBOQXLU-LBPRGKRZSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001206278093 968192819 /nfs/dbraw/zinc/19/28/19/968192819.db2.gz YNEXWBLJQFZECP-LBPRGKRZSA-N 3 1 233.359 1.187 20 0 BDADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001206278093 968192826 /nfs/dbraw/zinc/19/28/26/968192826.db2.gz YNEXWBLJQFZECP-LBPRGKRZSA-N 3 1 233.359 1.187 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206295859 968200768 /nfs/dbraw/zinc/20/07/68/968200768.db2.gz OGJWUTGIXLABGB-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2csnn2)CC1 ZINC001206311043 968205891 /nfs/dbraw/zinc/20/58/91/968205891.db2.gz GXEUZCWQTXYBFX-NSHDSACASA-N 2 1 240.376 1.489 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2csnn2)CC1 ZINC001206311043 968205902 /nfs/dbraw/zinc/20/59/02/968205902.db2.gz GXEUZCWQTXYBFX-NSHDSACASA-N 2 1 240.376 1.489 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cncc(O)c2)CC1 ZINC001206318058 968224398 /nfs/dbraw/zinc/22/43/98/968224398.db2.gz LVXFSESKYUXHPS-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@H]2CCCO2)C1 ZINC001206337697 968242771 /nfs/dbraw/zinc/24/27/71/968242771.db2.gz VJPKGWQQIYZPOL-VXGBXAGGSA-N 2 1 230.327 1.318 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@H]2CCCO2)C1 ZINC001206337697 968242781 /nfs/dbraw/zinc/24/27/81/968242781.db2.gz VJPKGWQQIYZPOL-VXGBXAGGSA-N 2 1 230.327 1.318 20 0 BDADMP CCOC(C)(C)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336716 968245695 /nfs/dbraw/zinc/24/56/95/968245695.db2.gz NQYOOPWMTFKSDM-ZDUSSCGKSA-N 2 1 246.370 1.954 20 0 BDADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206463680 968317361 /nfs/dbraw/zinc/31/73/61/968317361.db2.gz BCTGGTKSDFVBFP-GXTWGEPZSA-N 2 1 234.343 1.055 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001206541773 968365286 /nfs/dbraw/zinc/36/52/86/968365286.db2.gz JZDDHPXCYCTIHT-AWEZNQCLSA-N 3 1 241.423 1.956 20 0 BDADMP C[C@@]1(CN)CCCC[N@H+](CCCCCC[NH3+])C1 ZINC001206541773 968365290 /nfs/dbraw/zinc/36/52/90/968365290.db2.gz JZDDHPXCYCTIHT-AWEZNQCLSA-N 2 1 241.423 1.956 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206548132 968370574 /nfs/dbraw/zinc/37/05/74/968370574.db2.gz HHTIRYAHJZJOPU-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ncccc2O)C1 ZINC001206548780 968372393 /nfs/dbraw/zinc/37/23/93/968372393.db2.gz IVWXYCORWRCKAY-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ncccc2O)C1 ZINC001206548780 968372400 /nfs/dbraw/zinc/37/24/00/968372400.db2.gz IVWXYCORWRCKAY-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnccn2)C1 ZINC001206549841 968376227 /nfs/dbraw/zinc/37/62/27/968376227.db2.gz QUVWUHSXCUVCME-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnccn2)C1 ZINC001206549841 968376233 /nfs/dbraw/zinc/37/62/33/968376233.db2.gz QUVWUHSXCUVCME-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnc(N)cn2)C1 ZINC001206575338 968394991 /nfs/dbraw/zinc/39/49/91/968394991.db2.gz WBVVUONEGNBNOL-CYBMUJFWSA-N 2 1 249.362 1.010 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(N)cn2)C1 ZINC001206575338 968395000 /nfs/dbraw/zinc/39/50/00/968395000.db2.gz WBVVUONEGNBNOL-CYBMUJFWSA-N 2 1 249.362 1.010 20 0 BDADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H](C)O)CC1 ZINC001251959475 968398455 /nfs/dbraw/zinc/39/84/55/968398455.db2.gz GILLITBTVFMLGG-LBPRGKRZSA-N 2 1 249.358 1.310 20 0 BDADMP C[N@@H+]1CCCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207048570 968576756 /nfs/dbraw/zinc/57/67/56/968576756.db2.gz VXQCGKVQEXKYLU-UHFFFAOYSA-N 2 1 244.342 1.472 20 0 BDADMP C[N@H+]1CCCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207048570 968576763 /nfs/dbraw/zinc/57/67/63/968576763.db2.gz VXQCGKVQEXKYLU-UHFFFAOYSA-N 2 1 244.342 1.472 20 0 BDADMP Cc1nccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)n1 ZINC001207169504 968675287 /nfs/dbraw/zinc/67/52/87/968675287.db2.gz WDWUQIZZPIEGSD-UHFFFAOYSA-N 2 1 246.358 1.313 20 0 BDADMP C[C@H]1CC[C@@H](CO)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275710 968709785 /nfs/dbraw/zinc/70/97/85/968709785.db2.gz ODWLNVDPSUVLCA-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275412 968712603 /nfs/dbraw/zinc/71/26/03/968712603.db2.gz NJVZLUOAGKPOME-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](CCO)C1 ZINC001207283405 968717954 /nfs/dbraw/zinc/71/79/54/968717954.db2.gz XXDNIXYDDPSXJA-ZDUSSCGKSA-N 2 1 242.407 1.669 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001207391284 968747468 /nfs/dbraw/zinc/74/74/68/968747468.db2.gz BCOAARCLIKEZNB-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP FC(F)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207437657 968770895 /nfs/dbraw/zinc/77/08/95/968770895.db2.gz NUHQZSDRMTWMKJ-LLVKDONJSA-N 2 1 232.318 1.963 20 0 BDADMP CCN(C)c1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154976401 968828744 /nfs/dbraw/zinc/82/87/44/968828744.db2.gz KUWATZWNBXSIDV-GHMZBOCLSA-N 2 1 249.362 1.615 20 0 BDADMP Nc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]c1 ZINC001154976006 968829404 /nfs/dbraw/zinc/82/94/04/968829404.db2.gz KCWMPHHVJPJLJL-SCZZXKLOSA-N 2 1 206.293 1.346 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCSC3)[C@@H]2C1 ZINC001207838136 968895748 /nfs/dbraw/zinc/89/57/48/968895748.db2.gz WGTUKRFCNHMBNZ-YFKTTZPYSA-N 2 1 226.389 1.422 20 0 BDADMP Cc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001207835409 968895935 /nfs/dbraw/zinc/89/59/35/968895935.db2.gz BTNUCRQEUSJLCS-WCFLWFBJSA-N 2 1 235.331 1.413 20 0 BDADMP Cc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001207835409 968895941 /nfs/dbraw/zinc/89/59/41/968895941.db2.gz BTNUCRQEUSJLCS-WCFLWFBJSA-N 2 1 235.331 1.413 20 0 BDADMP CC[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000165612455 968971845 /nfs/dbraw/zinc/97/18/45/968971845.db2.gz JNCNLOXHOZYOCG-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000165612455 968971851 /nfs/dbraw/zinc/97/18/51/968971851.db2.gz JNCNLOXHOZYOCG-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCn3cccn3)C[C@@H]2C1 ZINC001208076824 968980162 /nfs/dbraw/zinc/98/01/62/968980162.db2.gz QZNAFKQMNJJTCE-KGLIPLIRSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCn3cccn3)C[C@@H]2C1 ZINC001208076824 968980163 /nfs/dbraw/zinc/98/01/63/968980163.db2.gz QZNAFKQMNJJTCE-KGLIPLIRSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCn3cccn3)C[C@@H]2C1 ZINC001208076824 968980164 /nfs/dbraw/zinc/98/01/64/968980164.db2.gz QZNAFKQMNJJTCE-KGLIPLIRSA-N 2 1 248.374 1.157 20 0 BDADMP C[N@H+](CCCn1cccn1)C1CC[NH+](C)CC1 ZINC001208082086 968984002 /nfs/dbraw/zinc/98/40/02/968984002.db2.gz GYMDQFUEKFMHSA-UHFFFAOYSA-N 2 1 236.363 1.299 20 0 BDADMP C[N@@H+](CCCn1cccn1)C1CC[NH+](C)CC1 ZINC001208082086 968984012 /nfs/dbraw/zinc/98/40/12/968984012.db2.gz GYMDQFUEKFMHSA-UHFFFAOYSA-N 2 1 236.363 1.299 20 0 BDADMP CCC[C@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001252809668 968997894 /nfs/dbraw/zinc/99/78/94/968997894.db2.gz MMQNSQOQINFTDC-JTQLQIEISA-N 2 1 211.309 1.093 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC001208105575 969000037 /nfs/dbraw/zinc/00/00/37/969000037.db2.gz YCUOUNHZBYJKST-ZDUSSCGKSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001208113743 969009902 /nfs/dbraw/zinc/00/99/02/969009902.db2.gz MZVCQQPYWCTNHX-TXEJJXNPSA-N 2 1 224.348 1.191 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCCC12CC2 ZINC001253175291 969097906 /nfs/dbraw/zinc/09/79/06/969097906.db2.gz IYNVXSQLMFPPQL-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC[NH2+]1 ZINC000379994764 969148632 /nfs/dbraw/zinc/14/86/32/969148632.db2.gz VKRNDHKLQPBMHG-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC[NH2+]1 ZINC000379994764 969148636 /nfs/dbraw/zinc/14/86/36/969148636.db2.gz VKRNDHKLQPBMHG-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC[NH2+]1 ZINC000379994764 969148645 /nfs/dbraw/zinc/14/86/45/969148645.db2.gz VKRNDHKLQPBMHG-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001208593682 969148896 /nfs/dbraw/zinc/14/88/96/969148896.db2.gz ZIPTVDRXYGJXTG-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CCn3ccnc3C2)CC1 ZINC001208593242 969149483 /nfs/dbraw/zinc/14/94/83/969149483.db2.gz RASMMTRMPKNHRD-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCn3ccnc3C2)CC1 ZINC001208593242 969149485 /nfs/dbraw/zinc/14/94/85/969149485.db2.gz RASMMTRMPKNHRD-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP Cc1ccc[nH+]c1NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253384271 969149604 /nfs/dbraw/zinc/14/96/04/969149604.db2.gz ZBEIQGNLAOYUQP-NSHDSACASA-N 2 1 237.347 1.551 20 0 BDADMP C[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1C ZINC001208612791 969169177 /nfs/dbraw/zinc/16/91/77/969169177.db2.gz NVTQSQKJLVMYEY-HZSPNIEDSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@@H]1CN(C[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1C ZINC001208612791 969169179 /nfs/dbraw/zinc/16/91/79/969169179.db2.gz NVTQSQKJLVMYEY-HZSPNIEDSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@@H]1CN(C[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1C ZINC001208612791 969169184 /nfs/dbraw/zinc/16/91/84/969169184.db2.gz NVTQSQKJLVMYEY-HZSPNIEDSA-N 2 1 239.407 1.353 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001208612081 969173010 /nfs/dbraw/zinc/17/30/10/969173010.db2.gz ANIFJAFNASZDCK-RDBSUJKOSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001208612081 969173015 /nfs/dbraw/zinc/17/30/15/969173015.db2.gz ANIFJAFNASZDCK-RDBSUJKOSA-N 2 1 238.375 1.297 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C[C@@H]1CCC[NH+](C)C1 ZINC001208612829 969173932 /nfs/dbraw/zinc/17/39/32/969173932.db2.gz DRRYXOXTOQFDMG-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C[C@@H]1CCC[N@H+](C)C1 ZINC001208612829 969173935 /nfs/dbraw/zinc/17/39/35/969173935.db2.gz DRRYXOXTOQFDMG-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001208612829 969173938 /nfs/dbraw/zinc/17/39/38/969173938.db2.gz DRRYXOXTOQFDMG-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]23CCOC3)C1 ZINC001208617517 969175159 /nfs/dbraw/zinc/17/51/59/969175159.db2.gz PRPLDEPVIOZCFP-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]23CCOC3)C1 ZINC001208617517 969175167 /nfs/dbraw/zinc/17/51/67/969175167.db2.gz PRPLDEPVIOZCFP-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]23CCOC3)C1 ZINC001208617517 969175170 /nfs/dbraw/zinc/17/51/70/969175170.db2.gz PRPLDEPVIOZCFP-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]23CCOC3)C1 ZINC001208617517 969175173 /nfs/dbraw/zinc/17/51/73/969175173.db2.gz PRPLDEPVIOZCFP-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccnn2C)CCC[C@@H]1C[NH3+] ZINC001205991354 969204200 /nfs/dbraw/zinc/20/42/00/969204200.db2.gz AEOBVJBARTWUPG-VXGBXAGGSA-N 2 1 236.363 1.227 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](C)C(=O)OC ZINC001208724044 969210087 /nfs/dbraw/zinc/21/00/87/969210087.db2.gz BUMMSHRJUKDZOI-GFCCVEGCSA-N 2 1 244.379 1.459 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001253551547 969223862 /nfs/dbraw/zinc/22/38/62/969223862.db2.gz PJFPQUHRJNSLEX-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP Cc1cnc(CC[NH3+])n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169095692 969383253 /nfs/dbraw/zinc/38/32/53/969383253.db2.gz RGAKAZVNNBHJHV-ITGUQSILSA-N 2 1 248.374 1.490 20 0 BDADMP Cc1nccn1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096025 969384345 /nfs/dbraw/zinc/38/43/45/969384345.db2.gz UFCMEQGVYUJDKI-ZSOGYDGISA-N 2 1 248.374 1.406 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]1(C)C[C@H](O)C1)C2 ZINC001169099995 969391463 /nfs/dbraw/zinc/39/14/63/969391463.db2.gz YSYBBXVEISEZBE-XXCSZPINSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H](O)C1)C2 ZINC001169100971 969397167 /nfs/dbraw/zinc/39/71/67/969397167.db2.gz NGSDBUOYFWRUQX-PDWCTOEPSA-N 2 1 238.375 1.505 20 0 BDADMP C[C@@H]([NH3+])c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078763 969398682 /nfs/dbraw/zinc/39/86/82/969398682.db2.gz GGHLZEQTCVLAKE-WYUUTHIRSA-N 2 1 234.347 1.701 20 0 BDADMP CC(C)[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001253778528 969399704 /nfs/dbraw/zinc/39/97/04/969399704.db2.gz SJYZZANECGYYAN-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC[NH+]1CCCC1)C2 ZINC001169077945 969400405 /nfs/dbraw/zinc/40/04/05/969400405.db2.gz CJDKNXCKYZWWOK-BTTYYORXSA-N 2 1 237.391 1.297 20 0 BDADMP CCOCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081337 969402885 /nfs/dbraw/zinc/40/28/85/969402885.db2.gz RLYQDPCDGZQFDB-XYYAHUGASA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc(C[NH3+])c1)C2 ZINC001169080397 969405217 /nfs/dbraw/zinc/40/52/17/969405217.db2.gz NBWHFIPMQDOVOB-ZSBIGDGJSA-N 2 1 220.320 1.140 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCCO1)C2 ZINC001169091471 969408623 /nfs/dbraw/zinc/40/86/23/969408623.db2.gz RWSTUJCCYRSBHP-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCCO1)C2 ZINC001169091472 969410028 /nfs/dbraw/zinc/41/00/28/969410028.db2.gz RWSTUJCCYRSBHP-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]1(C)CCOC1)C2 ZINC001169119308 969411431 /nfs/dbraw/zinc/41/14/31/969411431.db2.gz RASPPVHCKIYMGH-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125972 969424993 /nfs/dbraw/zinc/42/49/93/969424993.db2.gz OJJOTOKQUWINKI-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125972 969424997 /nfs/dbraw/zinc/42/49/97/969424997.db2.gz OJJOTOKQUWINKI-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125972 969425002 /nfs/dbraw/zinc/42/50/02/969425002.db2.gz OJJOTOKQUWINKI-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125972 969425009 /nfs/dbraw/zinc/42/50/09/969425009.db2.gz OJJOTOKQUWINKI-DGTMBMJNSA-N 2 1 238.375 1.457 20 0 BDADMP C[N@@H+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125887 969426431 /nfs/dbraw/zinc/42/64/31/969426431.db2.gz NDPLQYHRSWMZNX-BTTYYORXSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125887 969426436 /nfs/dbraw/zinc/42/64/36/969426436.db2.gz NDPLQYHRSWMZNX-BTTYYORXSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125887 969426438 /nfs/dbraw/zinc/42/64/38/969426438.db2.gz NDPLQYHRSWMZNX-BTTYYORXSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001169126724 969430284 /nfs/dbraw/zinc/43/02/84/969430284.db2.gz WZGBSMVVZCKLGF-RKQHYHRCSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@H]1O ZINC001169126724 969430291 /nfs/dbraw/zinc/43/02/91/969430291.db2.gz WZGBSMVVZCKLGF-RKQHYHRCSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@H]1O ZINC001169126724 969430292 /nfs/dbraw/zinc/43/02/92/969430292.db2.gz WZGBSMVVZCKLGF-RKQHYHRCSA-N 2 1 238.375 1.314 20 0 BDADMP C[NH+](C)C1CC[NH+](CCCC2OCCO2)CC1 ZINC001209304629 969434869 /nfs/dbraw/zinc/43/48/69/969434869.db2.gz UVDKKEWLILBNOO-UHFFFAOYSA-N 2 1 242.363 1.166 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001169129004 969441841 /nfs/dbraw/zinc/44/18/41/969441841.db2.gz GQJRXMGEFHCNTL-FOPUMGAHSA-N 2 1 206.333 1.563 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001169129004 969441845 /nfs/dbraw/zinc/44/18/45/969441845.db2.gz GQJRXMGEFHCNTL-FOPUMGAHSA-N 2 1 206.333 1.563 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001169129004 969441850 /nfs/dbraw/zinc/44/18/50/969441850.db2.gz GQJRXMGEFHCNTL-FOPUMGAHSA-N 2 1 206.333 1.563 20 0 BDADMP C[C@H](C[NH3+])CN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110520 969445783 /nfs/dbraw/zinc/44/57/83/969445783.db2.gz MANUGRIDDQCYCI-NDBYEHHHSA-N 2 1 225.380 1.138 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COC(C)(C)C1)C2 ZINC001169112684 969451552 /nfs/dbraw/zinc/45/15/52/969451552.db2.gz RQXKNYCOWZQRBD-ZDEQEGDKSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]13CCOC3)C2 ZINC001169153028 969462496 /nfs/dbraw/zinc/46/24/96/969462496.db2.gz GCUTUUTYDZNOKF-DGAVXFQQSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]13CCOC3)C2 ZINC001169153028 969462504 /nfs/dbraw/zinc/46/25/04/969462504.db2.gz GCUTUUTYDZNOKF-DGAVXFQQSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]13CCOC3)C2 ZINC001169153028 969462513 /nfs/dbraw/zinc/46/25/13/969462513.db2.gz GCUTUUTYDZNOKF-DGAVXFQQSA-N 2 1 236.359 1.476 20 0 BDADMP CN([C@H]1CC[N@@H+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142849 969466495 /nfs/dbraw/zinc/46/64/95/969466495.db2.gz WUWYPGFOVNOBBB-RFQIPJPRSA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142849 969466500 /nfs/dbraw/zinc/46/65/00/969466500.db2.gz WUWYPGFOVNOBBB-RFQIPJPRSA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142849 969466507 /nfs/dbraw/zinc/46/65/07/969466507.db2.gz WUWYPGFOVNOBBB-RFQIPJPRSA-N 2 1 237.391 1.248 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169161133 969478095 /nfs/dbraw/zinc/47/80/95/969478095.db2.gz OMHKKHCJGWUWSU-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169161133 969478107 /nfs/dbraw/zinc/47/81/07/969478107.db2.gz OMHKKHCJGWUWSU-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169161133 969478117 /nfs/dbraw/zinc/47/81/17/969478117.db2.gz OMHKKHCJGWUWSU-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP COC[C@@H]1CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160097 969481136 /nfs/dbraw/zinc/48/11/36/969481136.db2.gz AUWLOQOHCSDFAB-RNJOBUHISA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160097 969481142 /nfs/dbraw/zinc/48/11/42/969481142.db2.gz AUWLOQOHCSDFAB-RNJOBUHISA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160097 969481153 /nfs/dbraw/zinc/48/11/53/969481153.db2.gz AUWLOQOHCSDFAB-RNJOBUHISA-N 2 1 224.348 1.332 20 0 BDADMP CCC[N@H+](CCC[NH3+])C1CCN(CC)CC1 ZINC001169221773 969492929 /nfs/dbraw/zinc/49/29/29/969492929.db2.gz LAIYHDQTERFREM-UHFFFAOYSA-N 2 1 227.396 1.532 20 0 BDADMP CCC[N@@H+](CCC[NH3+])C1CCN(CC)CC1 ZINC001169221773 969492935 /nfs/dbraw/zinc/49/29/35/969492935.db2.gz LAIYHDQTERFREM-UHFFFAOYSA-N 2 1 227.396 1.532 20 0 BDADMP C[C@H]1C[C@H]1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209424948 969494658 /nfs/dbraw/zinc/49/46/58/969494658.db2.gz CNCAHSVPYMFBRD-RYUDHWBXSA-N 2 1 208.349 1.813 20 0 BDADMP CC[NH+]1CCC(N2CCc3[nH+]ccn3CC2)CC1 ZINC001169264552 969517130 /nfs/dbraw/zinc/51/71/30/969517130.db2.gz HVECVPIPXHDYIP-UHFFFAOYSA-N 2 1 248.374 1.226 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1CCC[NH+]1CCCCC1 ZINC001209449255 969519987 /nfs/dbraw/zinc/51/99/87/969519987.db2.gz FRPVPVDZARFZIG-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@]23CCCOC3)CC1 ZINC001169242104 969529782 /nfs/dbraw/zinc/52/97/82/969529782.db2.gz WAUAZOFDHVAPFV-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001169259048 969546163 /nfs/dbraw/zinc/54/61/63/969546163.db2.gz ZTLRPRSPDQDOBX-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001169259048 969546172 /nfs/dbraw/zinc/54/61/72/969546172.db2.gz ZTLRPRSPDQDOBX-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001209728887 969581788 /nfs/dbraw/zinc/58/17/88/969581788.db2.gz XSLQIIJBPSDKGZ-BXUZGUMPSA-N 2 1 247.342 1.495 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001209728887 969581793 /nfs/dbraw/zinc/58/17/93/969581793.db2.gz XSLQIIJBPSDKGZ-BXUZGUMPSA-N 2 1 247.342 1.495 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)[C@@H]1CO ZINC001209728164 969582641 /nfs/dbraw/zinc/58/26/41/969582641.db2.gz DXUIZHSLGXWDHD-GXFFZTMASA-N 2 1 235.331 1.087 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)[C@@H]1CO ZINC001209728164 969582649 /nfs/dbraw/zinc/58/26/49/969582649.db2.gz DXUIZHSLGXWDHD-GXFFZTMASA-N 2 1 235.331 1.087 20 0 BDADMP C[N@H+]1C[C@H]2CCCN(Cc3c[nH+]ccc3N)[C@H]2C1 ZINC001209729938 969589965 /nfs/dbraw/zinc/58/99/65/969589965.db2.gz BQTNPOTTWQTCBF-RISCZKNCSA-N 2 1 246.358 1.020 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH+]ccc1N ZINC001209738209 969597980 /nfs/dbraw/zinc/59/79/80/969597980.db2.gz WASOWYURLJIOFA-FUNVUKJBSA-N 2 1 247.342 1.636 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH+]ccc1N ZINC001209738209 969597986 /nfs/dbraw/zinc/59/79/86/969597986.db2.gz WASOWYURLJIOFA-FUNVUKJBSA-N 2 1 247.342 1.636 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001209737802 969598409 /nfs/dbraw/zinc/59/84/09/969598409.db2.gz RFXICPSOPZOYLT-ZWNOBZJWSA-N 2 1 233.315 1.105 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001209737802 969598417 /nfs/dbraw/zinc/59/84/17/969598417.db2.gz RFXICPSOPZOYLT-ZWNOBZJWSA-N 2 1 233.315 1.105 20 0 BDADMP Cc1cnc(CC[NH3+])n1[C@@H]1CCC[N@H+](C)CC1 ZINC001254499827 969646236 /nfs/dbraw/zinc/64/62/36/969646236.db2.gz BVGGIMRHZSIJSK-GFCCVEGCSA-N 2 1 236.363 1.350 20 0 BDADMP COC(CCC[NH2+][C@@H]1CCC[N@@H+](C)CC1)OC ZINC001254507346 969646701 /nfs/dbraw/zinc/64/67/01/969646701.db2.gz ARZLOEWAWUHISX-GFCCVEGCSA-N 2 1 244.379 1.459 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccc(CC[NH3+])n2)CC1 ZINC001254499793 969647834 /nfs/dbraw/zinc/64/78/34/969647834.db2.gz ARRJDIFVMQVFOB-LBPRGKRZSA-N 2 1 222.336 1.041 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC001254497844 969657884 /nfs/dbraw/zinc/65/78/84/969657884.db2.gz OGZWIIFXONFDIS-VXGBXAGGSA-N 2 1 238.331 1.387 20 0 BDADMP C[NH+]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254500155 969661438 /nfs/dbraw/zinc/66/14/38/969661438.db2.gz GMNSGMMMPOZIMN-OKILXGFUSA-N 3 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254500155 969661442 /nfs/dbraw/zinc/66/14/42/969661442.db2.gz GMNSGMMMPOZIMN-OKILXGFUSA-N 3 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254500155 969661456 /nfs/dbraw/zinc/66/14/56/969661456.db2.gz GMNSGMMMPOZIMN-OKILXGFUSA-N 3 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@@H](N[C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254500155 969661462 /nfs/dbraw/zinc/66/14/62/969661462.db2.gz GMNSGMMMPOZIMN-OKILXGFUSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@@H](N[C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254500155 969661476 /nfs/dbraw/zinc/66/14/76/969661476.db2.gz GMNSGMMMPOZIMN-OKILXGFUSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@H](N[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254500155 969661491 /nfs/dbraw/zinc/66/14/91/969661491.db2.gz GMNSGMMMPOZIMN-OKILXGFUSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@H](N[C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254500155 969661498 /nfs/dbraw/zinc/66/14/98/969661498.db2.gz GMNSGMMMPOZIMN-OKILXGFUSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2CC(F)C2)CC1 ZINC001254497169 969662962 /nfs/dbraw/zinc/66/29/62/969662962.db2.gz HFXMCIWAVABMMS-YVNMAJEFSA-N 2 1 200.301 1.561 20 0 BDADMP CCCN(CCC[NH3+])[C@@H]1CCC[N@@H+](C)CC1 ZINC001254501039 969665241 /nfs/dbraw/zinc/66/52/41/969665241.db2.gz PKAHMJBEEQHYEV-CYBMUJFWSA-N 2 1 227.396 1.532 20 0 BDADMP CCC[N@H+](CCC[NH3+])[C@@H]1CCC[NH+](C)CC1 ZINC001254501039 969665249 /nfs/dbraw/zinc/66/52/49/969665249.db2.gz PKAHMJBEEQHYEV-CYBMUJFWSA-N 3 1 227.396 1.532 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[NH+](C)CC1 ZINC001254501039 969665254 /nfs/dbraw/zinc/66/52/54/969665254.db2.gz PKAHMJBEEQHYEV-CYBMUJFWSA-N 3 1 227.396 1.532 20 0 BDADMP CCC[NH+](CCC[NH3+])[C@@H]1CCC[N@H+](C)CC1 ZINC001254501039 969665257 /nfs/dbraw/zinc/66/52/57/969665257.db2.gz PKAHMJBEEQHYEV-CYBMUJFWSA-N 3 1 227.396 1.532 20 0 BDADMP CCC[NH+](CCC[NH3+])[C@@H]1CCC[N@@H+](C)CC1 ZINC001254501039 969665263 /nfs/dbraw/zinc/66/52/63/969665263.db2.gz PKAHMJBEEQHYEV-CYBMUJFWSA-N 3 1 227.396 1.532 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]C[Si](C)(C)C)CC1 ZINC001254504494 969672729 /nfs/dbraw/zinc/67/27/29/969672729.db2.gz CHWSCTPRPSYRGI-NSHDSACASA-N 2 1 214.429 1.938 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[Si](C)(C)C)CC1 ZINC001254504494 969672733 /nfs/dbraw/zinc/67/27/33/969672733.db2.gz CHWSCTPRPSYRGI-NSHDSACASA-N 2 1 214.429 1.938 20 0 BDADMP C[N@H+]1CCC[C@H](N(C(N)=[NH2+])c2ccccc2)CC1 ZINC001254504325 969674985 /nfs/dbraw/zinc/67/49/85/969674985.db2.gz TZBPGROURICUDZ-ZDUSSCGKSA-N 2 1 246.358 1.871 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2ccc(C[NH3+])nc2)CC1 ZINC001254507878 969681313 /nfs/dbraw/zinc/68/13/13/969681313.db2.gz GLBUGNHFKUJDKE-LLVKDONJSA-N 2 1 234.347 1.437 20 0 BDADMP C[NH+]1CCCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516221 969689299 /nfs/dbraw/zinc/68/92/99/969689299.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP C[NH+]1CCC[C@H](N2CCC[N@H+](C)CC2)CC1 ZINC001254516221 969689310 /nfs/dbraw/zinc/68/93/10/969689310.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP C[NH+]1CCC[C@H](N2CCC[N@@H+](C)CC2)CC1 ZINC001254516221 969689317 /nfs/dbraw/zinc/68/93/17/969689317.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CN1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254516221 969689326 /nfs/dbraw/zinc/68/93/26/969689326.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CN1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254516221 969689333 /nfs/dbraw/zinc/68/93/33/969689333.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CN1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516221 969689344 /nfs/dbraw/zinc/68/93/44/969689344.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CN1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516221 969689350 /nfs/dbraw/zinc/68/93/50/969689350.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2cccnc2)CC1 ZINC001254514561 969691354 /nfs/dbraw/zinc/69/13/54/969691354.db2.gz MLNCDZRECSWRFF-KGLIPLIRSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2cccnc2)CC1 ZINC001254514561 969691361 /nfs/dbraw/zinc/69/13/61/969691361.db2.gz MLNCDZRECSWRFF-KGLIPLIRSA-N 2 1 249.358 1.189 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001254518710 969697743 /nfs/dbraw/zinc/69/77/43/969697743.db2.gz DDNRITFVQOBMIR-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001254518710 969697747 /nfs/dbraw/zinc/69/77/47/969697747.db2.gz DDNRITFVQOBMIR-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@H](N2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001254521768 969707722 /nfs/dbraw/zinc/70/77/22/969707722.db2.gz XFQUDSXJVGXPMF-CYDGBPFRSA-N 2 1 226.339 1.761 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@]23CCOC3)CC1 ZINC001254529168 969721325 /nfs/dbraw/zinc/72/13/25/969721325.db2.gz KMVFXQGSWIUJQM-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@]23CCOC3)CC1 ZINC001254529168 969721333 /nfs/dbraw/zinc/72/13/33/969721333.db2.gz KMVFXQGSWIUJQM-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@]23CCOC3)CC1 ZINC001254529168 969721338 /nfs/dbraw/zinc/72/13/38/969721338.db2.gz KMVFXQGSWIUJQM-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CCC[NH+](C)CC3)C[C@H]12 ZINC001254530197 969726292 /nfs/dbraw/zinc/72/62/92/969726292.db2.gz UZCBCRSHOZAPCD-AAVRWANBSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CCC[N@H+](C)CC3)C[C@H]12 ZINC001254530197 969726296 /nfs/dbraw/zinc/72/62/96/969726296.db2.gz UZCBCRSHOZAPCD-AAVRWANBSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CO[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](C)CC3)C[C@H]12 ZINC001254530197 969726302 /nfs/dbraw/zinc/72/63/02/969726302.db2.gz UZCBCRSHOZAPCD-AAVRWANBSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)[C@H](C)C1 ZINC001254533027 969733036 /nfs/dbraw/zinc/73/30/36/969733036.db2.gz ISCWCRPFFYEJNL-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)[C@H](C)C1 ZINC001254533027 969733042 /nfs/dbraw/zinc/73/30/42/969733042.db2.gz ISCWCRPFFYEJNL-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)[C@H](C)C1 ZINC001254533027 969733048 /nfs/dbraw/zinc/73/30/48/969733048.db2.gz ISCWCRPFFYEJNL-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254834711 969797430 /nfs/dbraw/zinc/79/74/30/969797430.db2.gz YHZWMGAOGSUISE-CYBMUJFWSA-N 3 1 234.347 1.041 20 0 BDADMP CC(C)([NH3+])C(C)(C)N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254842150 969804489 /nfs/dbraw/zinc/80/44/89/969804489.db2.gz CSIDXKQJFWRRIS-LBPRGKRZSA-N 2 1 239.407 1.576 20 0 BDADMP CN([C@@H]1CC[N@@H+](C)C1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254859131 969811826 /nfs/dbraw/zinc/81/18/26/969811826.db2.gz BVDIFLXHDVKWDS-ZIAGYGMSSA-N 2 1 237.391 1.107 20 0 BDADMP [NH3+]Cc1ccn(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001169725474 969818111 /nfs/dbraw/zinc/81/81/11/969818111.db2.gz HWFVEZGKEKDKRX-UHFFFAOYSA-N 2 1 228.299 1.467 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254921672 969821606 /nfs/dbraw/zinc/82/16/06/969821606.db2.gz FGUXLXSOQWHDNP-QWRGUYRKSA-N 2 1 247.342 1.623 20 0 BDADMP [NH3+]CC1([NH2+]C2Cc3ccccc3C2)CC1 ZINC001255020447 969848722 /nfs/dbraw/zinc/84/87/22/969848722.db2.gz XFKKXAOANJBLLO-UHFFFAOYSA-N 2 1 202.301 1.235 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3)CC[NH2+]1 ZINC001210499204 969911674 /nfs/dbraw/zinc/91/16/74/969911674.db2.gz SVUGTZUFCXHGFA-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3)CC[NH2+]1 ZINC001210499204 969911681 /nfs/dbraw/zinc/91/16/81/969911681.db2.gz SVUGTZUFCXHGFA-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP CC1([NH3+])CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255106493 969938734 /nfs/dbraw/zinc/93/87/34/969938734.db2.gz WKWZIJVYWYRYDP-CQSZACIVSA-N 2 1 245.370 1.294 20 0 BDADMP CCOC(=O)C1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001255251675 970016484 /nfs/dbraw/zinc/01/64/84/970016484.db2.gz ZBWVAYNBSRIAGE-MOENNCHZSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)C1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001255251675 970016491 /nfs/dbraw/zinc/01/64/91/970016491.db2.gz ZBWVAYNBSRIAGE-MOENNCHZSA-N 2 1 240.347 1.141 20 0 BDADMP [NH3+]Cc1ccc2nnn(-c3cc[nH+]cc3)c2c1 ZINC001170018651 970018533 /nfs/dbraw/zinc/01/85/33/970018533.db2.gz RATJWMZOJHNKDX-UHFFFAOYSA-N 2 1 225.255 1.274 20 0 BDADMP CCCN(C)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001156878447 970018886 /nfs/dbraw/zinc/01/88/86/970018886.db2.gz WMGJURUZZBYBAS-UHFFFAOYSA-N 2 1 249.362 1.250 20 0 BDADMP C[N@H+]1CC[C@@H](n2ccc3c2cccc3C[NH3+])C1 ZINC001255412137 970132018 /nfs/dbraw/zinc/13/20/18/970132018.db2.gz LJENJHUUQPAIPY-GFCCVEGCSA-N 2 1 229.327 1.977 20 0 BDADMP C[N@H+]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2F)C1 ZINC001255415556 970136520 /nfs/dbraw/zinc/13/65/20/970136520.db2.gz KPRMSPWFHYUCRA-SECBINFHSA-N 2 1 236.294 1.230 20 0 BDADMP C[N@H+]1CC[C@H](n2c3ccccc3nc2CC[NH3+])C1 ZINC001255413205 970136995 /nfs/dbraw/zinc/13/69/95/970136995.db2.gz UYWVVDYSCGPCRD-NSHDSACASA-N 2 1 244.342 1.414 20 0 BDADMP C[N@H+]1CC[C@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001255417302 970140470 /nfs/dbraw/zinc/14/04/70/970140470.db2.gz KCTBGKMRUIEZOZ-AAEUAGOBSA-N 2 1 231.343 1.601 20 0 BDADMP C[N@H+]1CC[C@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C1 ZINC001255422564 970147053 /nfs/dbraw/zinc/14/70/53/970147053.db2.gz ZNLPQGRDFQKICH-LBPRGKRZSA-N 2 1 244.342 1.414 20 0 BDADMP C[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3cnccc32)C1 ZINC001255422564 970147055 /nfs/dbraw/zinc/14/70/55/970147055.db2.gz ZNLPQGRDFQKICH-LBPRGKRZSA-N 2 1 244.342 1.414 20 0 BDADMP C[N@H+]1CC[C@H](n2cc(CC[NH3+])c3cnccc32)C1 ZINC001255422564 970147064 /nfs/dbraw/zinc/14/70/64/970147064.db2.gz ZNLPQGRDFQKICH-LBPRGKRZSA-N 2 1 244.342 1.414 20 0 BDADMP CC[N@@H+](C)C1CCN([C@@H]2CC[NH+](C)C2)CC1 ZINC001255442551 970177498 /nfs/dbraw/zinc/17/74/98/970177498.db2.gz XXFOAITWDUWPAU-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](C)C1CCN([C@@H]2CC[N@H+](C)C2)CC1 ZINC001255442551 970177503 /nfs/dbraw/zinc/17/75/03/970177503.db2.gz XXFOAITWDUWPAU-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](C)C1CCN([C@@H]2CC[N@@H+](C)C2)CC1 ZINC001255442551 970177508 /nfs/dbraw/zinc/17/75/08/970177508.db2.gz XXFOAITWDUWPAU-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001255470383 970198685 /nfs/dbraw/zinc/19/86/85/970198685.db2.gz MZGQLZWUHXLMHL-LBPRGKRZSA-N 2 1 244.342 1.762 20 0 BDADMP C[NH+](C)C[C@@H]1CCCN1[C@H]1CCC[N@@H+](C)C1 ZINC001255488081 970237800 /nfs/dbraw/zinc/23/78/00/970237800.db2.gz XOJZDIBIULSBHQ-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H]1CC[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109443 970312005 /nfs/dbraw/zinc/31/20/05/970312005.db2.gz PVWNXMCIDMNFBB-KBPBESRZSA-N 3 1 241.423 1.778 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109443 970312019 /nfs/dbraw/zinc/31/20/19/970312019.db2.gz PVWNXMCIDMNFBB-KBPBESRZSA-N 3 1 241.423 1.778 20 0 BDADMP [NH3+][C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255689630 970457204 /nfs/dbraw/zinc/45/72/04/970457204.db2.gz CKFNMKNTXUZYFK-JQCXWYLXSA-N 2 1 222.254 1.797 20 0 BDADMP [NH3+][C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255689632 970457537 /nfs/dbraw/zinc/45/75/37/970457537.db2.gz CKFNMKNTXUZYFK-RBXMUDONSA-N 2 1 222.254 1.797 20 0 BDADMP FC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256066182 970631165 /nfs/dbraw/zinc/63/11/65/970631165.db2.gz YKGIEWGZVFWRBF-UHFFFAOYSA-N 2 1 212.312 1.703 20 0 BDADMP CN([C@H]1CC[N@@H+](C)C1)C1CC[NH+](C2CC2)CC1 ZINC001256078891 970650080 /nfs/dbraw/zinc/65/00/80/970650080.db2.gz DNRWIWONQVVAOG-AWEZNQCLSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](F)CC2)CC1 ZINC001256194376 970682337 /nfs/dbraw/zinc/68/23/37/970682337.db2.gz BYEGNHRVBYJKCC-PHIMTYICSA-N 2 1 214.328 1.951 20 0 BDADMP CCOC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC001256197914 970692362 /nfs/dbraw/zinc/69/23/62/970692362.db2.gz UKHSNTOWPCPARU-KLPPZKSPSA-N 2 1 240.347 1.012 20 0 BDADMP CN1CCC([N@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001256207613 970711504 /nfs/dbraw/zinc/71/15/04/970711504.db2.gz OHOULISQPVBSRZ-VIFPVBQESA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CCC(N2CC[C@H](C(F)(F)F)C2)CC1 ZINC001256207613 970711512 /nfs/dbraw/zinc/71/15/12/970711512.db2.gz OHOULISQPVBSRZ-VIFPVBQESA-N 2 1 236.281 1.965 20 0 BDADMP C[N@H+]1C[C@H]2CCCN(C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001256209484 970714915 /nfs/dbraw/zinc/71/49/15/970714915.db2.gz WWMYIKVGCUSDIU-TZMCWYRMSA-N 2 1 237.391 1.107 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000401858524 970737650 /nfs/dbraw/zinc/73/76/50/970737650.db2.gz HFXCGTZALAWLJT-GRYCIOLGSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001222528593 972549345 /nfs/dbraw/zinc/54/93/45/972549345.db2.gz XRSLGYYVXXYWBM-GFCCVEGCSA-N 3 1 243.370 1.091 20 0 BDADMP CN1CCC[C@@H](C[NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001222528593 972549349 /nfs/dbraw/zinc/54/93/49/972549349.db2.gz XRSLGYYVXXYWBM-GFCCVEGCSA-N 2 1 243.370 1.091 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542294 972569112 /nfs/dbraw/zinc/56/91/12/972569112.db2.gz JUBOINHMJSBREZ-ZIAGYGMSSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246542524 972585068 /nfs/dbraw/zinc/58/50/68/972585068.db2.gz QBENWURXWAKFGV-YFKTTZPYSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1c(O)cccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001144117872 972588828 /nfs/dbraw/zinc/58/88/28/972588828.db2.gz KMGLCMJTOMFFJN-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP Cc1c(O)cccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001144117872 972588835 /nfs/dbraw/zinc/58/88/35/972588835.db2.gz KMGLCMJTOMFFJN-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP Cc1c(O)cccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001144117872 972588839 /nfs/dbraw/zinc/58/88/39/972588839.db2.gz KMGLCMJTOMFFJN-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP Cc1c(O)cccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001144117872 972588843 /nfs/dbraw/zinc/58/88/43/972588843.db2.gz KMGLCMJTOMFFJN-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP C[C@@H](CC(F)(F)F)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543078 972590000 /nfs/dbraw/zinc/59/00/00/972590000.db2.gz SHZRELBHETYGSS-XHNCKOQMSA-N 2 1 224.270 1.854 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545286 972627735 /nfs/dbraw/zinc/62/77/35/972627735.db2.gz ASNPHBOTKZCUNO-FRRDWIJNSA-N 3 1 243.370 1.280 20 0 BDADMP CCSC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545363 972629784 /nfs/dbraw/zinc/62/97/84/972629784.db2.gz JQBHIRVQVIQIHL-DCAQKATOSA-N 2 1 216.394 1.940 20 0 BDADMP CCSC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545363 972629777 /nfs/dbraw/zinc/62/97/77/972629777.db2.gz JQBHIRVQVIQIHL-DCAQKATOSA-N 2 1 216.394 1.940 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(O)C2)CC[NH2+]1 ZINC001246548271 972682292 /nfs/dbraw/zinc/68/22/92/972682292.db2.gz JYPVBDCPYCPAND-UPJWGTAASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246558377 972778496 /nfs/dbraw/zinc/77/84/96/972778496.db2.gz LFDVAULTUBDDND-FDYHWXHSSA-N 2 1 240.391 1.595 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246558481 972778400 /nfs/dbraw/zinc/77/84/00/972778400.db2.gz QIMBFKPUARULJU-AGIUHOORSA-N 2 1 237.391 1.188 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(N)c1 ZINC001276861684 972837291 /nfs/dbraw/zinc/83/72/91/972837291.db2.gz RRTBDACKYSODRB-GOOCMWNKSA-N 2 1 245.370 1.984 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCCC[C@](F)(CN)C1 ZINC001246572764 972860634 /nfs/dbraw/zinc/86/06/34/972860634.db2.gz BFXGZJGITVYCJC-STQMWFEESA-N 2 1 246.370 1.954 20 0 BDADMP CCOCC[C@H](C)N1CCCC[C@](F)(C[NH3+])C1 ZINC001246572764 972860636 /nfs/dbraw/zinc/86/06/36/972860636.db2.gz BFXGZJGITVYCJC-STQMWFEESA-N 2 1 246.370 1.954 20 0 BDADMP C[NH+](C)[C@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144610970 972886786 /nfs/dbraw/zinc/88/67/86/972886786.db2.gz GPPURGQDZNCLPJ-LBPRGKRZSA-N 2 1 244.342 1.470 20 0 BDADMP CCN(CC[NH+](C)C)Cc1[nH+]cn2ccccc12 ZINC001144611622 972890094 /nfs/dbraw/zinc/89/00/94/972890094.db2.gz SENGMFMOSGMKTC-UHFFFAOYSA-N 2 1 246.358 1.718 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246578476 972899111 /nfs/dbraw/zinc/89/91/11/972899111.db2.gz VKLPDSQLYVPGLA-HZSPNIEDSA-N 2 1 237.391 1.202 20 0 BDADMP c1[nH+]c(CN2CC[N@@H+]3CC[C@H]3C2)c2ccccn12 ZINC001144627439 972900086 /nfs/dbraw/zinc/90/00/86/972900086.db2.gz OZWVWGYDJHSSHK-LBPRGKRZSA-N 2 1 242.326 1.224 20 0 BDADMP c1[nH+]c(CN2CC[N@H+]3CC[C@H]3C2)c2ccccn12 ZINC001144627439 972900098 /nfs/dbraw/zinc/90/00/98/972900098.db2.gz OZWVWGYDJHSSHK-LBPRGKRZSA-N 2 1 242.326 1.224 20 0 BDADMP COc1ccccc1C[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246602412 973029321 /nfs/dbraw/zinc/02/93/21/973029321.db2.gz XFABIDWUAPUHGN-LBPRGKRZSA-N 2 1 248.370 1.907 20 0 BDADMP C1NCC12CCC[N@@H+]2[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246640517 973060576 /nfs/dbraw/zinc/06/05/76/973060576.db2.gz DTCQHACLEOGOMB-ZIAGYGMSSA-N 2 1 249.402 1.347 20 0 BDADMP C1NCC12CCC[N@H+]2[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246640517 973060587 /nfs/dbraw/zinc/06/05/87/973060587.db2.gz DTCQHACLEOGOMB-ZIAGYGMSSA-N 2 1 249.402 1.347 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668623 973074538 /nfs/dbraw/zinc/07/45/38/973074538.db2.gz ZVNYGVMBQLWPFF-YIYPIFLZSA-N 3 1 237.391 1.330 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668623 973074550 /nfs/dbraw/zinc/07/45/50/973074550.db2.gz ZVNYGVMBQLWPFF-YIYPIFLZSA-N 3 1 237.391 1.330 20 0 BDADMP CO[C@H]1CCC[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC001246756823 973090169 /nfs/dbraw/zinc/09/01/69/973090169.db2.gz AECWNZVYTPADFE-XBFCOCLRSA-N 2 1 238.375 1.485 20 0 BDADMP CCOCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328492731 973099261 /nfs/dbraw/zinc/09/92/61/973099261.db2.gz PEXZBTLKINMRLK-UHFFFAOYSA-N 2 1 226.364 1.489 20 0 BDADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)[C@@H]1C ZINC001246825097 973123858 /nfs/dbraw/zinc/12/38/58/973123858.db2.gz UCJVQJKUDVHCJW-ZYHUDNBSSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246858354 973171787 /nfs/dbraw/zinc/17/17/87/973171787.db2.gz FWNSZZWMHLWQEO-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246858354 973171805 /nfs/dbraw/zinc/17/18/05/973171805.db2.gz FWNSZZWMHLWQEO-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1nc(NC/C=C/C[NH3+])cc(N2CCCC2)[nH+]1 ZINC001160976867 973192046 /nfs/dbraw/zinc/19/20/46/973192046.db2.gz LZNMTHMEABCYBL-NSCUHMNNSA-N 2 1 247.346 1.312 20 0 BDADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC=C(C)C ZINC001146704681 973207481 /nfs/dbraw/zinc/20/74/81/973207481.db2.gz FWNCNALAXBOSTN-UHFFFAOYSA-N 2 1 241.379 1.000 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246908965 973412932 /nfs/dbraw/zinc/41/29/32/973412932.db2.gz HJZCSSDMJKUFFH-LPWJVIDDSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246908965 973412944 /nfs/dbraw/zinc/41/29/44/973412944.db2.gz HJZCSSDMJKUFFH-LPWJVIDDSA-N 2 1 225.380 1.329 20 0 BDADMP C[N@H+](CCO)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246914243 973445765 /nfs/dbraw/zinc/44/57/65/973445765.db2.gz SWADAFQKELJMTL-KBPBESRZSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@@H+](CCO)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246914243 973445780 /nfs/dbraw/zinc/44/57/80/973445780.db2.gz SWADAFQKELJMTL-KBPBESRZSA-N 2 1 234.343 1.404 20 0 BDADMP CC1(C)CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922396 973509849 /nfs/dbraw/zinc/50/98/49/973509849.db2.gz WDNCIZUUZKJSGN-JQWIXIFHSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OCC2CC[NH+](C)CC2)C1 ZINC001224455782 973659560 /nfs/dbraw/zinc/65/95/60/973659560.db2.gz WDBWIDYEYRHOSJ-CQSZACIVSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(COC)o1 ZINC001329598010 973846118 /nfs/dbraw/zinc/84/61/18/973846118.db2.gz ZOSXHOBEXSHSOM-JTQLQIEISA-N 2 1 226.320 1.371 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171626098 974120197 /nfs/dbraw/zinc/12/01/97/974120197.db2.gz VQYLXQMUUVXXFI-LLVKDONJSA-N 3 1 241.423 1.822 20 0 BDADMP C[C@H]1C[C@@H](NC=[NH2+])C[N@H+]1Cc1ccccc1 ZINC001171726002 974139024 /nfs/dbraw/zinc/13/90/24/974139024.db2.gz REHHBMWYLDEBIP-WCQYABFASA-N 2 1 217.316 1.846 20 0 BDADMP C[C@H]1C[C@@H](NOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171726598 974142006 /nfs/dbraw/zinc/14/20/06/974142006.db2.gz YOELVLBONYBIDD-GXTWGEPZSA-N 2 1 249.358 1.129 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCC2)CC[C@@H]1F ZINC001206153110 974234727 /nfs/dbraw/zinc/23/47/27/974234727.db2.gz BVQHGBBRKDDUIB-WDEREUQCSA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCC2)CC[C@@H]1F ZINC001206153110 974234742 /nfs/dbraw/zinc/23/47/42/974234742.db2.gz BVQHGBBRKDDUIB-WDEREUQCSA-N 2 1 200.301 1.548 20 0 BDADMP CC1(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)CC[NH2+]CC1 ZINC001206152849 974237262 /nfs/dbraw/zinc/23/72/62/974237262.db2.gz BPJMOQGGYYZCSA-RYUDHWBXSA-N 2 1 243.370 1.137 20 0 BDADMP CC1(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC[NH2+]CC1 ZINC001206152849 974237272 /nfs/dbraw/zinc/23/72/72/974237272.db2.gz BPJMOQGGYYZCSA-RYUDHWBXSA-N 3 1 243.370 1.137 20 0 BDADMP CC1(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC[NH2+]CC1 ZINC001206152849 974237290 /nfs/dbraw/zinc/23/72/90/974237290.db2.gz BPJMOQGGYYZCSA-RYUDHWBXSA-N 3 1 243.370 1.137 20 0 BDADMP CS[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154429 974330275 /nfs/dbraw/zinc/33/02/75/974330275.db2.gz IZUCEUBRWCJOEC-GMTAPVOTSA-N 2 1 234.384 1.889 20 0 BDADMP CS[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154429 974330288 /nfs/dbraw/zinc/33/02/88/974330288.db2.gz IZUCEUBRWCJOEC-GMTAPVOTSA-N 2 1 234.384 1.889 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153957 974308661 /nfs/dbraw/zinc/30/86/61/974308661.db2.gz FOPHBUKNGGAGET-ZNSHCXBVSA-N 2 1 200.301 1.404 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153957 974308677 /nfs/dbraw/zinc/30/86/77/974308677.db2.gz FOPHBUKNGGAGET-ZNSHCXBVSA-N 2 1 200.301 1.404 20 0 BDADMP N[C@H]1CC[N@@H+](CCCCCC[NH3+])CC[C@@H]1F ZINC001206155616 974328918 /nfs/dbraw/zinc/32/89/18/974328918.db2.gz MSMVOEWECXMDKP-RYUDHWBXSA-N 3 1 231.359 1.267 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206155616 974328926 /nfs/dbraw/zinc/32/89/26/974328926.db2.gz MSMVOEWECXMDKP-RYUDHWBXSA-N 3 1 231.359 1.267 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206155616 974328935 /nfs/dbraw/zinc/32/89/35/974328935.db2.gz MSMVOEWECXMDKP-RYUDHWBXSA-N 3 1 231.359 1.267 20 0 BDADMP CS[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154431 974333247 /nfs/dbraw/zinc/33/32/47/974333247.db2.gz IZUCEUBRWCJOEC-OUAUKWLOSA-N 2 1 234.384 1.889 20 0 BDADMP CS[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154431 974333252 /nfs/dbraw/zinc/33/32/52/974333252.db2.gz IZUCEUBRWCJOEC-OUAUKWLOSA-N 2 1 234.384 1.889 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCOCC1)C2 ZINC001172100626 974343287 /nfs/dbraw/zinc/34/32/87/974343287.db2.gz QUARMVGQULBICB-BTTYYORXSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCOCC1)C2 ZINC001172100626 974343289 /nfs/dbraw/zinc/34/32/89/974343289.db2.gz QUARMVGQULBICB-BTTYYORXSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@H+](CC1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125354 974349576 /nfs/dbraw/zinc/34/95/76/974349576.db2.gz PRUDIJFSILSARO-BTTYYORXSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+](CC1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125354 974349586 /nfs/dbraw/zinc/34/95/86/974349586.db2.gz PRUDIJFSILSARO-BTTYYORXSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](CC1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125354 974349593 /nfs/dbraw/zinc/34/95/93/974349593.db2.gz PRUDIJFSILSARO-BTTYYORXSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](CC1COC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125354 974349599 /nfs/dbraw/zinc/34/95/99/974349599.db2.gz PRUDIJFSILSARO-BTTYYORXSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC(C)(C)O)C2 ZINC001172101856 974362335 /nfs/dbraw/zinc/36/23/35/974362335.db2.gz CFXMVEJAZQGAJJ-XYYAHUGASA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CSC1)C2 ZINC001172105111 974364278 /nfs/dbraw/zinc/36/42/78/974364278.db2.gz GWEADSNOTMJAFE-CLLJXQQHSA-N 2 1 240.416 1.954 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH3+])cn1)C2 ZINC001172106034 974366356 /nfs/dbraw/zinc/36/63/56/974366356.db2.gz MOCOMONQAKBCFW-BTTYYORXSA-N 2 1 248.374 1.572 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)C2 ZINC001172106200 974367876 /nfs/dbraw/zinc/36/78/76/974367876.db2.gz NKLGYSNDRFPFJO-WZNRFSEPSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103753 974369976 /nfs/dbraw/zinc/36/99/76/974369976.db2.gz XKLOFHMZWKHTNX-ZDEQEGDKSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103753 974369987 /nfs/dbraw/zinc/36/99/87/974369987.db2.gz XKLOFHMZWKHTNX-ZDEQEGDKSA-N 2 1 226.364 1.362 20 0 BDADMP Cc1cc(C[NH3+])nn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103598 974370547 /nfs/dbraw/zinc/37/05/47/974370547.db2.gz WEDUYYSWUQHXTF-BTTYYORXSA-N 2 1 248.374 1.838 20 0 BDADMP N[C@H]1CC[N@@H+](CCC23CC([NH3+])(C2)C3)CC[C@@H]1F ZINC001206157178 974376134 /nfs/dbraw/zinc/37/61/34/974376134.db2.gz XATFJFVOZTXADS-ZSVAQUKISA-N 3 1 241.354 1.019 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC23CC([NH3+])(C2)C3)CC[C@@H]1F ZINC001206157178 974376144 /nfs/dbraw/zinc/37/61/44/974376144.db2.gz XATFJFVOZTXADS-ZSVAQUKISA-N 3 1 241.354 1.019 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC23CC([NH3+])(C2)C3)CC[C@@H]1F ZINC001206157178 974376156 /nfs/dbraw/zinc/37/61/56/974376156.db2.gz XATFJFVOZTXADS-ZSVAQUKISA-N 3 1 241.354 1.019 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC(=O)C1)C2 ZINC001172108314 974376443 /nfs/dbraw/zinc/37/64/43/974376443.db2.gz UFUIDTYYXVGTIS-CLLJXQQHSA-N 2 1 236.359 1.570 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CC(=O)C1)C2 ZINC001172108314 974376453 /nfs/dbraw/zinc/37/64/53/974376453.db2.gz UFUIDTYYXVGTIS-CLLJXQQHSA-N 2 1 236.359 1.570 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](O)C1)C2 ZINC001172113180 974379590 /nfs/dbraw/zinc/37/95/90/974379590.db2.gz HHTFROZEAPGJOV-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](O)C1)C2 ZINC001172113180 974379605 /nfs/dbraw/zinc/37/96/05/974379605.db2.gz HHTFROZEAPGJOV-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](O)C1)C2 ZINC001172113180 974379617 /nfs/dbraw/zinc/37/96/17/974379617.db2.gz HHTFROZEAPGJOV-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](O)C1)C2 ZINC001172113180 974379632 /nfs/dbraw/zinc/37/96/32/974379632.db2.gz HHTFROZEAPGJOV-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@H+]([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123970 974387968 /nfs/dbraw/zinc/38/79/68/974387968.db2.gz ICPZAIXQDJWIEH-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123970 974387982 /nfs/dbraw/zinc/38/79/82/974387982.db2.gz ICPZAIXQDJWIEH-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123970 974387989 /nfs/dbraw/zinc/38/79/89/974387989.db2.gz ICPZAIXQDJWIEH-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123970 974388005 /nfs/dbraw/zinc/38/80/05/974388005.db2.gz ICPZAIXQDJWIEH-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@](C)(O)C1)C2 ZINC001172122111 974391776 /nfs/dbraw/zinc/39/17/76/974391776.db2.gz XEPMPRQGVLZRBV-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@](C)(O)C1)C2 ZINC001172122111 974391791 /nfs/dbraw/zinc/39/17/91/974391791.db2.gz XEPMPRQGVLZRBV-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@](C)(O)C1)C2 ZINC001172122111 974391806 /nfs/dbraw/zinc/39/18/06/974391806.db2.gz XEPMPRQGVLZRBV-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@](C)(O)C1)C2 ZINC001172122111 974391815 /nfs/dbraw/zinc/39/18/15/974391815.db2.gz XEPMPRQGVLZRBV-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172217259 974441518 /nfs/dbraw/zinc/44/15/18/974441518.db2.gz BBLSNQZHDPNLDP-ODWCKFRGSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172229222 974467215 /nfs/dbraw/zinc/46/72/15/974467215.db2.gz SFEWWEMJJMXRAN-ODWCKFRGSA-N 2 1 222.332 1.014 20 0 BDADMP CC(C)[N@H+](CCN)[C@@H]1COC(C)(C)C1 ZINC001172271454 974486453 /nfs/dbraw/zinc/48/64/53/974486453.db2.gz WEPMVKXWAIQPSV-JTQLQIEISA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)[N@@H+](CCN)[C@@H]1COC(C)(C)C1 ZINC001172271454 974486455 /nfs/dbraw/zinc/48/64/55/974486455.db2.gz WEPMVKXWAIQPSV-JTQLQIEISA-N 2 1 200.326 1.223 20 0 BDADMP CC[N@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172249265 974513253 /nfs/dbraw/zinc/51/32/53/974513253.db2.gz HUODEISNFCNIFT-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172249265 974513258 /nfs/dbraw/zinc/51/32/58/974513258.db2.gz HUODEISNFCNIFT-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1COC(C)(C)C1 ZINC001172287824 974552121 /nfs/dbraw/zinc/55/21/21/974552121.db2.gz PCPHXRYHOUUGCP-ZDUSSCGKSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc(C)s1 ZINC001331418922 974712751 /nfs/dbraw/zinc/71/27/51/974712751.db2.gz MAGOZAWNIZFKKZ-QMMMGPOBSA-N 2 1 213.350 1.539 20 0 BDADMP CO[C@H]1CCC[C@@H](n2c(C)c[nH+]c2CC[NH3+])C1 ZINC001172915049 974963466 /nfs/dbraw/zinc/96/34/66/974963466.db2.gz BHBHJMBYBUUXOP-NEPJUHHUSA-N 2 1 237.347 1.823 20 0 BDADMP CO[C@@H]1CCC[C@@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001172934126 974985841 /nfs/dbraw/zinc/98/58/41/974985841.db2.gz QDCFBZTTYMTATP-VXGBXAGGSA-N 2 1 237.347 1.905 20 0 BDADMP CO[C@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001172941970 974996819 /nfs/dbraw/zinc/99/68/19/974996819.db2.gz HJHSIPCQFSTRST-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001172941970 974996822 /nfs/dbraw/zinc/99/68/22/974996822.db2.gz HJHSIPCQFSTRST-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001172941970 974996826 /nfs/dbraw/zinc/99/68/26/974996826.db2.gz HJHSIPCQFSTRST-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206188888 975019948 /nfs/dbraw/zinc/01/99/48/975019948.db2.gz WBOUXGPAPJXFQE-OLZOCXBDSA-N 2 1 237.322 1.530 20 0 BDADMP Nc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206188888 975019954 /nfs/dbraw/zinc/01/99/54/975019954.db2.gz WBOUXGPAPJXFQE-OLZOCXBDSA-N 2 1 237.322 1.530 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001173131946 975042413 /nfs/dbraw/zinc/04/24/13/975042413.db2.gz NRUATEIRGRDQBF-VHSXEESVSA-N 2 1 239.388 1.527 20 0 BDADMP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001173264390 975125553 /nfs/dbraw/zinc/12/55/53/975125553.db2.gz SEGUEISRFOPIRV-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001332816927 975289583 /nfs/dbraw/zinc/28/95/83/975289583.db2.gz ZOWWKRHDPZUFFI-CHWSQXEVSA-N 2 1 233.359 1.807 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC001173362428 975340150 /nfs/dbraw/zinc/34/01/50/975340150.db2.gz HBQUPSOPLBNRDG-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CCN1CC[C@H]([N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)C1 ZINC001173366725 975350351 /nfs/dbraw/zinc/35/03/51/975350351.db2.gz BJNDDSFNIKZKRU-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@@H+]1CC[C@H](N2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001173366725 975350356 /nfs/dbraw/zinc/35/03/56/975350356.db2.gz BJNDDSFNIKZKRU-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001173366725 975350361 /nfs/dbraw/zinc/35/03/61/975350361.db2.gz BJNDDSFNIKZKRU-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001173366725 975350366 /nfs/dbraw/zinc/35/03/66/975350366.db2.gz BJNDDSFNIKZKRU-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001173366725 975350370 /nfs/dbraw/zinc/35/03/70/975350370.db2.gz BJNDDSFNIKZKRU-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP CC1(C)CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001333529597 975830315 /nfs/dbraw/zinc/83/03/15/975830315.db2.gz OPCQYEUNLNUYRM-GFCCVEGCSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1ccnc(N)c1C[NH2+]CCC[NH+]1CCCC1 ZINC001333704980 976016401 /nfs/dbraw/zinc/01/64/01/976016401.db2.gz KDGYBPKMZYKIQJ-UHFFFAOYSA-N 2 1 248.374 1.548 20 0 BDADMP Cc1cc(NC(=O)N2CCC[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC001334046824 976248477 /nfs/dbraw/zinc/24/84/77/976248477.db2.gz RBXYPNJARDCHRS-GFCCVEGCSA-N 2 1 248.330 1.075 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000721409587 976626626 /nfs/dbraw/zinc/62/66/26/976626626.db2.gz IENPGKILGLVKHE-GMTAPVOTSA-N 2 1 200.326 1.081 20 0 BDADMP C[N@@H+]1CCC=C(Nc2c[nH+]c3ccccn23)C1 ZINC001175575025 977568079 /nfs/dbraw/zinc/56/80/79/977568079.db2.gz KPJRTWCWFNBPFS-UHFFFAOYSA-N 2 1 228.299 1.966 20 0 BDADMP C[N@H+]1CCC=C(Nc2c[nH+]c3ccccn23)C1 ZINC001175575025 977568084 /nfs/dbraw/zinc/56/80/84/977568084.db2.gz KPJRTWCWFNBPFS-UHFFFAOYSA-N 2 1 228.299 1.966 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001336264049 977607990 /nfs/dbraw/zinc/60/79/90/977607990.db2.gz XHVDUYAWKYOXSK-VXGBXAGGSA-N 3 1 227.396 1.352 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001336603109 977807927 /nfs/dbraw/zinc/80/79/27/977807927.db2.gz YMNVJESPAPLZRI-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001336603109 977807932 /nfs/dbraw/zinc/80/79/32/977807932.db2.gz YMNVJESPAPLZRI-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012297 977837528 /nfs/dbraw/zinc/83/75/28/977837528.db2.gz YFAVSHUFFROFKO-GWCFXTLKSA-N 2 1 245.326 1.908 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001232010786 977837892 /nfs/dbraw/zinc/83/78/92/977837892.db2.gz AQKSWYYGSLWTHW-TVQRCGJNSA-N 2 1 231.299 1.376 20 0 BDADMP c1c(C[N@H+]2CCC3(COC3)C2)[nH]c2cc[nH+]cc12 ZINC001232012833 977841305 /nfs/dbraw/zinc/84/13/05/977841305.db2.gz UBQDROCADNULNB-UHFFFAOYSA-N 2 1 243.310 1.785 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H](O)C1CC1 ZINC001336800189 977967947 /nfs/dbraw/zinc/96/79/47/977967947.db2.gz PRJIBWIZGQAPML-ZDUSSCGKSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176281681 978008578 /nfs/dbraw/zinc/00/85/78/978008578.db2.gz ONYITLPOOFENAP-AGIUHOORSA-N 2 1 249.358 1.361 20 0 BDADMP C[NH+](C)CCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001206272998 978059016 /nfs/dbraw/zinc/05/90/16/978059016.db2.gz LIGPBAXESZTBSZ-GDNZZTSVSA-N 2 1 212.337 1.190 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OCC[NH+](C)C)C1 ZINC001206278354 978145957 /nfs/dbraw/zinc/14/59/57/978145957.db2.gz LWDVEBMMHZCFHB-NSHDSACASA-N 2 1 200.326 1.047 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000328202060 978204792 /nfs/dbraw/zinc/20/47/92/978204792.db2.gz SEEPTPOQGYXJDX-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000328202060 978204801 /nfs/dbraw/zinc/20/48/01/978204801.db2.gz SEEPTPOQGYXJDX-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000328202060 978204805 /nfs/dbraw/zinc/20/48/05/978204805.db2.gz SEEPTPOQGYXJDX-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000328202060 978204813 /nfs/dbraw/zinc/20/48/13/978204813.db2.gz SEEPTPOQGYXJDX-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000328202060 978204822 /nfs/dbraw/zinc/20/48/22/978204822.db2.gz SEEPTPOQGYXJDX-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCCC[NH3+])CC1 ZINC001206293950 978295876 /nfs/dbraw/zinc/29/58/76/978295876.db2.gz IBJCURVKKATKKD-CYBMUJFWSA-N 3 1 227.396 1.566 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC001206297524 978317655 /nfs/dbraw/zinc/31/76/55/978317655.db2.gz YTJRDHZEMUPKGW-UONOGXRCSA-N 2 1 240.391 1.864 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCOCC1 ZINC001177338516 978328854 /nfs/dbraw/zinc/32/88/54/978328854.db2.gz YLWCTVMMLXQAPB-UHFFFAOYSA-N 2 1 235.331 1.416 20 0 BDADMP Cn1c[nH+]cc1N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277765943 978472638 /nfs/dbraw/zinc/47/26/38/978472638.db2.gz XMGIPRUESGBAIF-ZDUSSCGKSA-N 2 1 234.347 1.342 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)Nc1cc(N)[nH+]cn1 ZINC001337881110 978547449 /nfs/dbraw/zinc/54/74/49/978547449.db2.gz SFDHVPWEMQGREF-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc(N)[nH+]cn1 ZINC001337881110 978547461 /nfs/dbraw/zinc/54/74/61/978547461.db2.gz SFDHVPWEMQGREF-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(CO)c3)[C@@H]2C1 ZINC001338296293 978654799 /nfs/dbraw/zinc/65/47/99/978654799.db2.gz HNFMDFSAESNLBX-ZLKJLUDKSA-N 2 1 247.342 1.326 20 0 BDADMP CC[C@@H](C)[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277806784 978682498 /nfs/dbraw/zinc/68/24/98/978682498.db2.gz ICDAZSWURHBDRS-RDBSUJKOSA-N 2 1 239.407 1.495 20 0 BDADMP CCN1CC(Oc2cccc3c2CC[N@@H+](C)C3)C1 ZINC001234420373 978831955 /nfs/dbraw/zinc/83/19/55/978831955.db2.gz RATRASZGHJEBEE-UHFFFAOYSA-N 2 1 246.354 1.757 20 0 BDADMP CC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277889431 978903780 /nfs/dbraw/zinc/90/37/80/978903780.db2.gz PJDQNBFSJQFPNA-GFCCVEGCSA-N 2 1 238.375 1.772 20 0 BDADMP COCCOC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277898728 978914335 /nfs/dbraw/zinc/91/43/35/978914335.db2.gz MDSZFIDLSHIMGC-UHFFFAOYSA-N 2 1 242.363 1.025 20 0 BDADMP COCCOC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277898728 978914337 /nfs/dbraw/zinc/91/43/37/978914337.db2.gz MDSZFIDLSHIMGC-UHFFFAOYSA-N 2 1 242.363 1.025 20 0 BDADMP Cc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)oc1C ZINC001234981833 978943061 /nfs/dbraw/zinc/94/30/61/978943061.db2.gz LUIDESZGOMTKSO-CQSZACIVSA-N 2 1 249.358 1.034 20 0 BDADMP c1[nH+]c(CN2CC[C@H]3[NH2+]CC[C@H]32)n2ccccc12 ZINC001235073339 978969550 /nfs/dbraw/zinc/96/95/50/978969550.db2.gz ODAPWWCHKQPMEF-CHWSQXEVSA-N 2 1 242.326 1.271 20 0 BDADMP OCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235092057 978973533 /nfs/dbraw/zinc/97/35/33/978973533.db2.gz WOINGYPHNWILMS-LLVKDONJSA-N 2 1 248.317 1.080 20 0 BDADMP [NH3+]CCCC[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088187 978973637 /nfs/dbraw/zinc/97/36/37/978973637.db2.gz CZWQZHRCHUCQOV-AOOOYVTPSA-N 2 1 218.291 1.702 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CCN(Cc1[nH+]cn3ccccc13)C2 ZINC001235159174 978983963 /nfs/dbraw/zinc/98/39/63/978983963.db2.gz QKTXLVFVPIRIDV-SMDDNHRTSA-N 2 1 242.326 1.257 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCc1ccccc1)C2 ZINC001235166683 978988656 /nfs/dbraw/zinc/98/86/56/978988656.db2.gz VMIUMDVWBSILTJ-UONOGXRCSA-N 2 1 216.328 1.652 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCc1ccccc1)C2 ZINC001235166683 978988667 /nfs/dbraw/zinc/98/86/67/978988667.db2.gz VMIUMDVWBSILTJ-UONOGXRCSA-N 2 1 216.328 1.652 20 0 BDADMP CC[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234501 979004077 /nfs/dbraw/zinc/00/40/77/979004077.db2.gz YWTZWPAPNPPJLH-ZIAGYGMSSA-N 3 1 239.407 1.578 20 0 BDADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235493769 979056171 /nfs/dbraw/zinc/05/61/71/979056171.db2.gz ISSAYMYCCUNFON-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP CO[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](C)[NH3+])C[C@@H]21 ZINC001235624971 979105558 /nfs/dbraw/zinc/10/55/58/979105558.db2.gz NJTMXPRVEXGUBU-WHOHXGKFSA-N 2 1 212.337 1.081 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNCc2cccnc2N)C1 ZINC001181471087 979117245 /nfs/dbraw/zinc/11/72/45/979117245.db2.gz BPAVSOQAEDDEJD-GFCCVEGCSA-N 2 1 248.374 1.484 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2N)C1 ZINC001181471087 979117251 /nfs/dbraw/zinc/11/72/51/979117251.db2.gz BPAVSOQAEDDEJD-GFCCVEGCSA-N 2 1 248.374 1.484 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccnc2N)C1 ZINC001181471087 979117255 /nfs/dbraw/zinc/11/72/55/979117255.db2.gz BPAVSOQAEDDEJD-GFCCVEGCSA-N 2 1 248.374 1.484 20 0 BDADMP OCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235680660 979119736 /nfs/dbraw/zinc/11/97/36/979119736.db2.gz VPPVXZXCYZXTNX-ZDUSSCGKSA-N 2 1 226.364 1.319 20 0 BDADMP C[NH2+]CCCN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235701327 979128155 /nfs/dbraw/zinc/12/81/55/979128155.db2.gz IFMCLGDEBVHVBI-UHFFFAOYSA-N 2 1 239.407 1.308 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001235811232 979155030 /nfs/dbraw/zinc/15/50/30/979155030.db2.gz TVBFATITAZRWFH-SECBINFHSA-N 2 1 204.264 1.456 20 0 BDADMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCO ZINC001235811639 979158230 /nfs/dbraw/zinc/15/82/30/979158230.db2.gz SXWRLVRURSDIHV-ZSBIGDGJSA-N 2 1 212.337 1.103 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@H+]1CCCC[NH3+] ZINC001235826799 979163916 /nfs/dbraw/zinc/16/39/16/979163916.db2.gz CCVDJXKHUSGZEW-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929298 979214036 /nfs/dbraw/zinc/21/40/36/979214036.db2.gz KWNAZKGRRNWQNV-BFHYXJOUSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC001235929298 979214048 /nfs/dbraw/zinc/21/40/48/979214048.db2.gz KWNAZKGRRNWQNV-BFHYXJOUSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H]1CC(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@@H](C)O1 ZINC001235978893 979249022 /nfs/dbraw/zinc/24/90/22/979249022.db2.gz LOVZQEMIDWUCOT-MHDGFBEUSA-N 2 1 238.375 1.613 20 0 BDADMP CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001236005102 979289304 /nfs/dbraw/zinc/28/93/04/979289304.db2.gz IWMAFCJOCPUJDQ-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001236005102 979289312 /nfs/dbraw/zinc/28/93/12/979289312.db2.gz IWMAFCJOCPUJDQ-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]CCCC[N@H+]1CCOC2(CCCCC2)C1 ZINC001236045499 979335556 /nfs/dbraw/zinc/33/55/56/979335556.db2.gz VEEFSUIKLSMVBL-UHFFFAOYSA-N 2 1 226.364 1.760 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001236040539 979336524 /nfs/dbraw/zinc/33/65/24/979336524.db2.gz FIGHKOQEWVDCPN-ZDUSSCGKSA-N 2 1 235.331 1.274 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061219 979352206 /nfs/dbraw/zinc/35/22/06/979352206.db2.gz WIQLWNSKFOEOFQ-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061219 979352211 /nfs/dbraw/zinc/35/22/11/979352211.db2.gz WIQLWNSKFOEOFQ-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001236144312 979410369 /nfs/dbraw/zinc/41/03/69/979410369.db2.gz PPDBQDRRFASUSC-ZDUSSCGKSA-N 2 1 235.331 1.194 20 0 BDADMP [NH3+]CCCC[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001236144312 979410378 /nfs/dbraw/zinc/41/03/78/979410378.db2.gz PPDBQDRRFASUSC-ZDUSSCGKSA-N 2 1 235.331 1.194 20 0 BDADMP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC001236169854 979427186 /nfs/dbraw/zinc/42/71/86/979427186.db2.gz POICTPSCWZUSBC-GHMZBOCLSA-N 2 1 212.337 1.225 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC001236169854 979427207 /nfs/dbraw/zinc/42/72/07/979427207.db2.gz POICTPSCWZUSBC-GHMZBOCLSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1N ZINC001236210516 979448371 /nfs/dbraw/zinc/44/83/71/979448371.db2.gz DERWOQZFCIEQQF-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@H+](CCCCCC[NH3+])[C@@]1(C)CCCNC1 ZINC001236202261 979449639 /nfs/dbraw/zinc/44/96/39/979449639.db2.gz PJOMDNYZECTDQL-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@@]1(C)CCCNC1 ZINC001236202261 979449644 /nfs/dbraw/zinc/44/96/44/979449644.db2.gz PJOMDNYZECTDQL-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP C[N@H+](Cc1cccc(N)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216905 979455092 /nfs/dbraw/zinc/45/50/92/979455092.db2.gz MBURJDBZIBZRHD-ZIAGYGMSSA-N 2 1 233.359 1.971 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216905 979455098 /nfs/dbraw/zinc/45/50/98/979455098.db2.gz MBURJDBZIBZRHD-ZIAGYGMSSA-N 2 1 233.359 1.971 20 0 BDADMP NC[C@H]1CCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001236251521 979472859 /nfs/dbraw/zinc/47/28/59/979472859.db2.gz VJFRIAZHHNKUSS-GFCCVEGCSA-N 2 1 231.343 1.578 20 0 BDADMP NC[C@H]1CCC[N@H+]1Cc1cccc2c1CCN2 ZINC001236251521 979472861 /nfs/dbraw/zinc/47/28/61/979472861.db2.gz VJFRIAZHHNKUSS-GFCCVEGCSA-N 2 1 231.343 1.578 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001236251521 979472867 /nfs/dbraw/zinc/47/28/67/979472867.db2.gz VJFRIAZHHNKUSS-GFCCVEGCSA-N 2 1 231.343 1.578 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2c1CCN2 ZINC001236251521 979472875 /nfs/dbraw/zinc/47/28/75/979472875.db2.gz VJFRIAZHHNKUSS-GFCCVEGCSA-N 2 1 231.343 1.578 20 0 BDADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236314016 979524228 /nfs/dbraw/zinc/52/42/28/979524228.db2.gz GATGQHBPVBLHIK-BETUJISGSA-N 2 1 231.343 1.513 20 0 BDADMP CC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314151 979525221 /nfs/dbraw/zinc/52/52/21/979525221.db2.gz HZXNBBBZCPXRJX-RWMBFGLXSA-N 2 1 210.365 1.964 20 0 BDADMP Fc1cccnc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316161 979529380 /nfs/dbraw/zinc/52/93/80/979529380.db2.gz PLRSWSMMTSYUSG-TXEJJXNPSA-N 2 1 249.333 1.652 20 0 BDADMP Nc1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC001236354789 979551156 /nfs/dbraw/zinc/55/11/56/979551156.db2.gz LMKNBSKQSCIVPG-LBPRGKRZSA-N 2 1 245.370 1.627 20 0 BDADMP [NH3+]CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001236442196 979601404 /nfs/dbraw/zinc/60/14/04/979601404.db2.gz ZVCKNMUGMSJLDI-HUUCEWRRSA-N 2 1 245.370 1.151 20 0 BDADMP CC(C)(C)C[N@@H+](CCCC[NH3+])C1CC[NH2+]CC1 ZINC001236458875 979605092 /nfs/dbraw/zinc/60/50/92/979605092.db2.gz ZKLZJCYRKKZPEN-UHFFFAOYSA-N 3 1 241.423 1.825 20 0 BDADMP CC(C)(C)C[N@H+](CCCC[NH3+])C1CCNCC1 ZINC001236458875 979605096 /nfs/dbraw/zinc/60/50/96/979605096.db2.gz ZKLZJCYRKKZPEN-UHFFFAOYSA-N 2 1 241.423 1.825 20 0 BDADMP CC(C)(C)C[N@@H+](CCCC[NH3+])C1CCNCC1 ZINC001236458875 979605100 /nfs/dbraw/zinc/60/51/00/979605100.db2.gz ZKLZJCYRKKZPEN-UHFFFAOYSA-N 2 1 241.423 1.825 20 0 BDADMP COCOCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255697 979738600 /nfs/dbraw/zinc/73/86/00/979738600.db2.gz KJSBSQKKYRHAMT-GFCCVEGCSA-N 2 1 230.352 1.200 20 0 BDADMP C[C@H]([NH3+])CN(C)Cc1[nH+]cn2ccccc12 ZINC001236900168 979787491 /nfs/dbraw/zinc/78/74/91/979787491.db2.gz PHMRVNWHIGMJJL-JTQLQIEISA-N 2 1 218.304 1.113 20 0 BDADMP COc1cccnc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265778 979817124 /nfs/dbraw/zinc/81/71/24/979817124.db2.gz RGTVWMCLSZTZOU-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cccnc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265778 979817127 /nfs/dbraw/zinc/81/71/27/979817127.db2.gz RGTVWMCLSZTZOU-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccnn2)CC1 ZINC001205273255 979836607 /nfs/dbraw/zinc/83/66/07/979836607.db2.gz IWUMJXQEWBZGBT-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccnn2)CC1 ZINC001205273255 979836610 /nfs/dbraw/zinc/83/66/10/979836610.db2.gz IWUMJXQEWBZGBT-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP COc1cc2c(cn1)CC[N@@H+](CCCC[NH3+])C2 ZINC001237204816 979844794 /nfs/dbraw/zinc/84/47/94/979844794.db2.gz UBPHFKWZOMCRDT-UHFFFAOYSA-N 2 1 235.331 1.187 20 0 BDADMP C1=C2NCC[N@H+](CC[C@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001237220994 979851756 /nfs/dbraw/zinc/85/17/56/979851756.db2.gz URQAAOVYKSKXFA-HIFRSBDPSA-N 2 1 249.402 1.718 20 0 BDADMP c1cnn(CCC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237384991 979882807 /nfs/dbraw/zinc/88/28/07/979882807.db2.gz ZDGYINNDRCYULW-KBPBESRZSA-N 2 1 248.374 1.347 20 0 BDADMP Oc1cccnc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237395517 979885556 /nfs/dbraw/zinc/88/55/56/979885556.db2.gz XQBNRFAMEYKVKE-RYUDHWBXSA-N 2 1 247.342 1.361 20 0 BDADMP Oc1cccnc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237395517 979885561 /nfs/dbraw/zinc/88/55/61/979885561.db2.gz XQBNRFAMEYKVKE-RYUDHWBXSA-N 2 1 247.342 1.361 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(Br)CC2)CC1 ZINC001184115259 979954206 /nfs/dbraw/zinc/95/42/06/979954206.db2.gz BCXUQFSKMCNOCB-UHFFFAOYSA-N 2 1 247.180 1.598 20 0 BDADMP Cc1cnc(C[N@H+](C)CC2CC[NH+](C)CC2)nc1 ZINC001237805400 980056546 /nfs/dbraw/zinc/05/65/46/980056546.db2.gz GLCPUWPWTPMKNK-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C)CC2)nc1 ZINC001237805400 980056553 /nfs/dbraw/zinc/05/65/53/980056553.db2.gz GLCPUWPWTPMKNK-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP COC(C[N@H+](C)Cc1cccc2c[nH+]cn21)OC ZINC001238120601 980168700 /nfs/dbraw/zinc/16/87/00/980168700.db2.gz YQQSHOVQRNVAKX-UHFFFAOYSA-N 2 1 249.314 1.385 20 0 BDADMP COC(C[N@@H+](C)Cc1cccc2c[nH+]cn21)OC ZINC001238120601 980168705 /nfs/dbraw/zinc/16/87/05/980168705.db2.gz YQQSHOVQRNVAKX-UHFFFAOYSA-N 2 1 249.314 1.385 20 0 BDADMP Cc1ncncc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001238174934 980206419 /nfs/dbraw/zinc/20/64/19/980206419.db2.gz BDRVZUTZAFOXHL-UHFFFAOYSA-N 2 1 246.358 1.313 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001345100402 980546907 /nfs/dbraw/zinc/54/69/07/980546907.db2.gz QQHFNAHCEDBLDU-VIFPVBQESA-N 2 1 241.766 1.989 20 0 BDADMP C[NH2+][C@H](C)CCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001345481472 980617356 /nfs/dbraw/zinc/61/73/56/980617356.db2.gz CFIUKDADVANOFW-WZRBSPASSA-N 2 1 225.380 1.057 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001346190620 980780736 /nfs/dbraw/zinc/78/07/36/980780736.db2.gz HZJFYOWZRCFOGG-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001205545985 980945595 /nfs/dbraw/zinc/94/55/95/980945595.db2.gz NYTMOILJYGJOSH-RYUDHWBXSA-N 2 1 230.327 1.318 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001205546825 980951556 /nfs/dbraw/zinc/95/15/56/980951556.db2.gz YWZKRZAZJVTXIJ-STQMWFEESA-N 2 1 244.354 1.708 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncc[nH]2)CC[C@H]1C[NH3+] ZINC001205603598 981175370 /nfs/dbraw/zinc/17/53/70/981175370.db2.gz QURKBUDVWYEXCF-MNOVXSKESA-N 2 1 222.336 1.217 20 0 BDADMP COC(=O)CCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205605035 981184049 /nfs/dbraw/zinc/18/40/49/981184049.db2.gz YPPCKQKBUYDCJQ-RYUDHWBXSA-N 2 1 242.363 1.246 20 0 BDADMP O[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC001580879708 981678109 /nfs/dbraw/zinc/67/81/09/981678109.db2.gz CXELTZKZHJHUDA-GJZGRUSLSA-N 2 1 246.354 1.376 20 0 BDADMP c1cnc([C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cn1 ZINC001580896698 981733318 /nfs/dbraw/zinc/73/33/18/981733318.db2.gz NNAFIUSFCMFTGY-OLZOCXBDSA-N 2 1 246.358 1.266 20 0 BDADMP c1cnc([C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC001580896937 981736084 /nfs/dbraw/zinc/73/60/84/981736084.db2.gz YPJPKVZNBFRJTM-OLZOCXBDSA-N 2 1 246.358 1.266 20 0 BDADMP Cc1cnccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673869 981864091 /nfs/dbraw/zinc/86/40/91/981864091.db2.gz VBNOFRAAVXHIQI-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)ccn1 ZINC001205673977 981893112 /nfs/dbraw/zinc/89/31/12/981893112.db2.gz WXCQASYGUIEPOP-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP CCO[C@@H](C[NH2+]CCC(C)C)C[NH+](C)C ZINC001352089230 982465395 /nfs/dbraw/zinc/46/53/95/982465395.db2.gz WIYFNXFDYIWDPY-LBPRGKRZSA-N 2 1 216.369 1.589 20 0 BDADMP C[N@@H+]1CC=C(c2cccc(CC[NH3+])c2)CC1 ZINC001241327565 982486878 /nfs/dbraw/zinc/48/68/78/982486878.db2.gz OFWQTLIPNBMLEZ-UHFFFAOYSA-N 2 1 216.328 1.907 20 0 BDADMP C[N@@H+]1CC=C(c2ccc(CC[NH3+])cc2)CC1 ZINC001241330492 982492739 /nfs/dbraw/zinc/49/27/39/982492739.db2.gz SXMLXJOFAYBXMO-UHFFFAOYSA-N 2 1 216.328 1.907 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802564 982538344 /nfs/dbraw/zinc/53/83/44/982538344.db2.gz BZPKBGXNRONPKF-ZYHUDNBSSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802564 982538355 /nfs/dbraw/zinc/53/83/55/982538355.db2.gz BZPKBGXNRONPKF-ZYHUDNBSSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802564 982538361 /nfs/dbraw/zinc/53/83/61/982538361.db2.gz BZPKBGXNRONPKF-ZYHUDNBSSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802564 982538365 /nfs/dbraw/zinc/53/83/65/982538365.db2.gz BZPKBGXNRONPKF-ZYHUDNBSSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001205806558 982571582 /nfs/dbraw/zinc/57/15/82/982571582.db2.gz UDKXXAMJJSQPTC-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])N(CC2CC[NH2+]CC2)C1 ZINC001205806558 982571588 /nfs/dbraw/zinc/57/15/88/982571588.db2.gz UDKXXAMJJSQPTC-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001205806627 982572529 /nfs/dbraw/zinc/57/25/29/982572529.db2.gz UYTXXUXTTPSFPS-MRFVTOPCSA-N 2 1 237.391 1.317 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])N(CCC23CC([NH3+])(C2)C3)C1 ZINC001205806627 982572532 /nfs/dbraw/zinc/57/25/32/982572532.db2.gz UYTXXUXTTPSFPS-MRFVTOPCSA-N 2 1 237.391 1.317 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001205806553 982572544 /nfs/dbraw/zinc/57/25/44/982572544.db2.gz UDKXXAMJJSQPTC-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])N(CC2CC[NH2+]CC2)C1 ZINC001205806553 982572547 /nfs/dbraw/zinc/57/25/47/982572547.db2.gz UDKXXAMJJSQPTC-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)nc(N)[nH+]1 ZINC001354132225 983169851 /nfs/dbraw/zinc/16/98/51/983169851.db2.gz VRMCGAPWQMBMJN-LDYMZIIASA-N 2 1 247.346 1.262 20 0 BDADMP C[NH2+]CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001355427600 983495194 /nfs/dbraw/zinc/49/51/94/983495194.db2.gz ZLIRFRWYZHNNCO-UHFFFAOYSA-N 2 1 248.330 1.230 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001576682006 984182555 /nfs/dbraw/zinc/18/25/55/984182555.db2.gz RSJCQWXLVQOZSH-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981809 984184781 /nfs/dbraw/zinc/18/47/81/984184781.db2.gz HHAMASGAXOSYLJ-UTUOFQBUSA-N 2 1 242.363 1.102 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]CC[NH2+]C(C)(C)C)C1 ZINC001578161850 984206249 /nfs/dbraw/zinc/20/62/49/984206249.db2.gz YVWDPOPLBWDGFO-XYPYZODXSA-N 2 1 214.353 1.532 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001578241812 984208601 /nfs/dbraw/zinc/20/86/01/984208601.db2.gz MWGLVLGJINWPJN-DGAVXFQQSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCC[C@@H]1C[NH3+] ZINC001205983858 984214016 /nfs/dbraw/zinc/21/40/16/984214016.db2.gz PPHWLDCZQSRERR-MGPQQGTHSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)COC2)CCC[C@H]1C[NH3+] ZINC001205984331 984216734 /nfs/dbraw/zinc/21/67/34/984216734.db2.gz RURHCQDZDMGJAM-RYUDHWBXSA-N 2 1 226.364 1.330 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001578638953 984216817 /nfs/dbraw/zinc/21/68/17/984216817.db2.gz ZXSGTFWHINOZSH-KXNHARMFSA-N 2 1 224.348 1.142 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@H]3CC[NH2+]C34CCC4)[C@@H]2C1 ZINC001578521178 984216846 /nfs/dbraw/zinc/21/68/46/984216846.db2.gz MMFKELDYNLNYHE-CRWXNKLISA-N 2 1 249.402 1.201 20 0 BDADMP COC/C(C)=C/C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC001578954659 984236310 /nfs/dbraw/zinc/23/63/10/984236310.db2.gz SWSQOKDMWDRLJN-AQEQDMNSSA-N 2 1 226.364 1.555 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001579002771 984249535 /nfs/dbraw/zinc/24/95/35/984249535.db2.gz UEOYHPVDAXNNPO-KGLIPLIRSA-N 2 1 249.358 1.486 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC001579455758 984275331 /nfs/dbraw/zinc/27/53/31/984275331.db2.gz QOJGWBFEORXPPL-XJFOESAGSA-N 2 1 238.375 1.079 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001275211454 984520839 /nfs/dbraw/zinc/52/08/39/984520839.db2.gz VIOHIUHCGRGGKK-YOGCLGLASA-N 2 1 220.320 1.125 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001275211454 984520849 /nfs/dbraw/zinc/52/08/49/984520849.db2.gz VIOHIUHCGRGGKK-YOGCLGLASA-N 2 1 220.320 1.125 20 0 BDADMP CC[N@@H+](C/C=C(\C)COC)C1CC[NH2+]CC1 ZINC001577711249 984646861 /nfs/dbraw/zinc/64/68/61/984646861.db2.gz ZKRTZDPOYJDPOC-KPKJPENVSA-N 2 1 226.364 1.653 20 0 BDADMP CC[N@H+](CCC1OCCCO1)[C@@H]1CCC[NH2+]C1 ZINC001577712911 984650186 /nfs/dbraw/zinc/65/01/86/984650186.db2.gz DGPARUAPHSDZLC-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](CCC1OCCCO1)[C@@H]1CCC[NH2+]C1 ZINC001577712911 984650206 /nfs/dbraw/zinc/65/02/06/984650206.db2.gz DGPARUAPHSDZLC-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](C/C=C(/C)COC)C1CC[NH2+]CC1 ZINC001577711248 984653347 /nfs/dbraw/zinc/65/33/47/984653347.db2.gz ZKRTZDPOYJDPOC-GHXNOFRVSA-N 2 1 226.364 1.653 20 0 BDADMP CC[N@@H+](CCc1cccs1)C[C@@H](O)CC[NH3+] ZINC001577728706 984679824 /nfs/dbraw/zinc/67/98/24/984679824.db2.gz LYBUYLAFVQLTOL-NSHDSACASA-N 2 1 242.388 1.322 20 0 BDADMP CC[N@@H+](CCc1cncn1C)C1CC[NH2+]CC1 ZINC001577731728 984687187 /nfs/dbraw/zinc/68/71/87/984687187.db2.gz ZUGPADYXLIJMRE-UHFFFAOYSA-N 3 1 236.363 1.037 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccnnc3)(C1)CCC2 ZINC001275881850 984711269 /nfs/dbraw/zinc/71/12/69/984711269.db2.gz FKVFRLKOZDBZTN-UONOGXRCSA-N 2 1 246.358 1.631 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H](CC[NH3+])C(F)F)C1 ZINC001577771071 984776068 /nfs/dbraw/zinc/77/60/68/984776068.db2.gz RLAKUXPHCNVXPS-VHSXEESVSA-N 2 1 235.322 1.043 20 0 BDADMP CC[NH2+][C@H](C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001577807024 984802677 /nfs/dbraw/zinc/80/26/77/984802677.db2.gz MWSVBDNGIRETNJ-SECBINFHSA-N 2 1 238.335 1.147 20 0 BDADMP Cc1n[nH]cc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276068598 984810231 /nfs/dbraw/zinc/81/02/31/984810231.db2.gz ZUZSKEUWUAFYEA-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001577908765 984815590 /nfs/dbraw/zinc/81/55/90/984815590.db2.gz SDULBVBHJYPLTL-WYUUTHIRSA-N 2 1 242.363 1.162 20 0 BDADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001577908615 984818625 /nfs/dbraw/zinc/81/86/25/984818625.db2.gz NEYZWUNABKUBLC-WYUUTHIRSA-N 2 1 242.363 1.304 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cnco1)CC2 ZINC001276158376 984822469 /nfs/dbraw/zinc/82/24/69/984822469.db2.gz SETRBWJWIFHWMP-UHFFFAOYSA-N 2 1 235.331 1.592 20 0 BDADMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cn1 ZINC001276222513 984831937 /nfs/dbraw/zinc/83/19/37/984831937.db2.gz XJQVECCQXAPKAA-OKILXGFUSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cn1 ZINC001276222513 984831939 /nfs/dbraw/zinc/83/19/39/984831939.db2.gz XJQVECCQXAPKAA-OKILXGFUSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cn1 ZINC001276222513 984831944 /nfs/dbraw/zinc/83/19/44/984831944.db2.gz XJQVECCQXAPKAA-OKILXGFUSA-N 2 1 248.374 1.194 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001578161009 984864818 /nfs/dbraw/zinc/86/48/18/984864818.db2.gz IAADPVGRJMHMGV-WHOHXGKFSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]1SC ZINC001578241703 984894198 /nfs/dbraw/zinc/89/41/98/984894198.db2.gz ISQLQRDUQOMFMW-LMLFDSFASA-N 2 1 214.378 1.611 20 0 BDADMP CCCC(CCC)[N@H+](CC[NH3+])CCO ZINC001257328863 984898568 /nfs/dbraw/zinc/89/85/68/984898568.db2.gz LHYZGSMLEWUOQI-UHFFFAOYSA-N 2 1 202.342 1.208 20 0 BDADMP CCCC(CCC)[N@@H+](CC[NH3+])CCO ZINC001257328863 984898569 /nfs/dbraw/zinc/89/85/69/984898569.db2.gz LHYZGSMLEWUOQI-UHFFFAOYSA-N 2 1 202.342 1.208 20 0 BDADMP CCc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001578267009 984911050 /nfs/dbraw/zinc/91/10/50/984911050.db2.gz YZAHQGHKRQPEAQ-KBPBESRZSA-N 2 1 234.343 1.061 20 0 BDADMP CCn1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)n1 ZINC001578346124 984980598 /nfs/dbraw/zinc/98/05/98/984980598.db2.gz JHPICJVJDNSBIY-OLZOCXBDSA-N 2 1 248.374 1.253 20 0 BDADMP CCn1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)n1 ZINC001578346124 984980633 /nfs/dbraw/zinc/98/06/33/984980633.db2.gz JHPICJVJDNSBIY-OLZOCXBDSA-N 2 1 248.374 1.253 20 0 BDADMP CCn1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001578354152 985000092 /nfs/dbraw/zinc/00/00/92/985000092.db2.gz ZRMBUPGLDAEPMX-RYUDHWBXSA-N 2 1 236.363 1.320 20 0 BDADMP CN(C)c1ncc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC001578430247 985057245 /nfs/dbraw/zinc/05/72/45/985057245.db2.gz PUZWWOLAXYFOAB-UHFFFAOYSA-N 2 1 240.376 1.051 20 0 BDADMP C[N@@H+](CC1CC(F)(F)C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578445985 985078019 /nfs/dbraw/zinc/07/80/19/985078019.db2.gz ZTWVZWZMDUBFIO-MYJAWHEDSA-N 2 1 216.275 1.181 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@@H]1CCC[C@H]1O ZINC001578453285 985087835 /nfs/dbraw/zinc/08/78/35/985087835.db2.gz ZOBTWFTWCVSKHD-WUHRBBMRSA-N 2 1 226.364 1.207 20 0 BDADMP CN(CC[N@@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC001578470118 985107094 /nfs/dbraw/zinc/10/70/94/985107094.db2.gz OXOARDKNLDFGED-UHFFFAOYSA-N 2 1 233.359 1.022 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CC[C@@H]([NH3+])C3)C2)C1 ZINC001578528666 985157069 /nfs/dbraw/zinc/15/70/69/985157069.db2.gz JETGLKDJDBFJAN-BFHYXJOUSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)C1 ZINC001578528666 985157073 /nfs/dbraw/zinc/15/70/73/985157073.db2.gz JETGLKDJDBFJAN-BFHYXJOUSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)C1 ZINC001578528666 985157081 /nfs/dbraw/zinc/15/70/81/985157081.db2.gz JETGLKDJDBFJAN-BFHYXJOUSA-N 3 1 237.391 1.141 20 0 BDADMP CN1CC[C@@]2(CC[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)C1 ZINC001578528666 985157086 /nfs/dbraw/zinc/15/70/86/985157086.db2.gz JETGLKDJDBFJAN-BFHYXJOUSA-N 2 1 237.391 1.141 20 0 BDADMP CN1CC[C@@]2(CC[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)C1 ZINC001578528666 985157092 /nfs/dbraw/zinc/15/70/92/985157092.db2.gz JETGLKDJDBFJAN-BFHYXJOUSA-N 2 1 237.391 1.141 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578529049 985157476 /nfs/dbraw/zinc/15/74/76/985157476.db2.gz PGBAEYKBQYTTGT-RJZJGCCBSA-N 3 1 237.391 1.188 20 0 BDADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578529721 985158308 /nfs/dbraw/zinc/15/83/08/985158308.db2.gz YQQSQUYPRTXUGH-DGAVXFQQSA-N 2 1 237.391 1.282 20 0 BDADMP C[N@@H+]1CCC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578529414 985159659 /nfs/dbraw/zinc/15/96/59/985159659.db2.gz UNORREZRBOBOLJ-MGPQQGTHSA-N 2 1 237.391 1.202 20 0 BDADMP C[N@H+]1CCC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578529414 985159670 /nfs/dbraw/zinc/15/96/70/985159670.db2.gz UNORREZRBOBOLJ-MGPQQGTHSA-N 2 1 237.391 1.202 20 0 BDADMP COC(CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000686617466 985181815 /nfs/dbraw/zinc/18/18/15/985181815.db2.gz PILOZHAFCOUWHB-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP COC(CC[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000686617466 985181831 /nfs/dbraw/zinc/18/18/31/985181831.db2.gz PILOZHAFCOUWHB-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP COC(CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000686617466 985181838 /nfs/dbraw/zinc/18/18/38/985181838.db2.gz PILOZHAFCOUWHB-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC001578638774 985246333 /nfs/dbraw/zinc/24/63/33/985246333.db2.gz VKIRIYXBGKTSKG-GHMZBOCLSA-N 2 1 237.347 1.219 20 0 BDADMP CO[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000687214326 985267798 /nfs/dbraw/zinc/26/77/98/985267798.db2.gz IXAJRMMHBFTJBG-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC001578654757 985272943 /nfs/dbraw/zinc/27/29/43/985272943.db2.gz YLULXWHWQBYJSZ-CQSZACIVSA-N 2 1 248.370 1.242 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC001578654757 985272957 /nfs/dbraw/zinc/27/29/57/985272957.db2.gz YLULXWHWQBYJSZ-CQSZACIVSA-N 2 1 248.370 1.242 20 0 BDADMP CO[C@@H]1CC[C@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000687255864 985277459 /nfs/dbraw/zinc/27/74/59/985277459.db2.gz UEWPGYTXVMDBIE-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@@H](O)C(C)C ZINC001578662035 985277740 /nfs/dbraw/zinc/27/77/40/985277740.db2.gz ASFVGXHPJWISLQ-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@@H](O)C(C)C ZINC001578662035 985277757 /nfs/dbraw/zinc/27/77/57/985277757.db2.gz ASFVGXHPJWISLQ-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC001578908636 985506425 /nfs/dbraw/zinc/50/64/25/985506425.db2.gz BTZUPFODQLBBJK-YNEHKIRRSA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC001578908636 985506433 /nfs/dbraw/zinc/50/64/33/985506433.db2.gz BTZUPFODQLBBJK-YNEHKIRRSA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@@H](C[NH2+][C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC001578913094 985518213 /nfs/dbraw/zinc/51/82/13/985518213.db2.gz RLSAUNGCDGOROW-XQQFMLRXSA-N 2 1 224.348 1.286 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])CC1 ZINC001578937811 985549715 /nfs/dbraw/zinc/54/97/15/985549715.db2.gz OYNUWWKBTCAPCW-MNOVXSKESA-N 2 1 214.353 1.661 20 0 BDADMP COC[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001578989201 985610659 /nfs/dbraw/zinc/61/06/59/985610659.db2.gz HKONFWNDQYOSDQ-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+]1CC2(CCC2)[C@H]1C(C)C ZINC001579000037 985645166 /nfs/dbraw/zinc/64/51/66/985645166.db2.gz NHYSUUPKXLUVIN-CHWSQXEVSA-N 2 1 240.391 1.861 20 0 BDADMP COCC[C@@H]([NH3+])C[N@H+]1CC2(CCC2)[C@H]1C(C)C ZINC001579000037 985645174 /nfs/dbraw/zinc/64/51/74/985645174.db2.gz NHYSUUPKXLUVIN-CHWSQXEVSA-N 2 1 240.391 1.861 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+]Cc1cccc(OC)c1 ZINC001579003586 985660884 /nfs/dbraw/zinc/66/08/84/985660884.db2.gz JHPRVYQQXADXMN-GFCCVEGCSA-N 2 1 238.331 1.149 20 0 BDADMP CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)[C@@H]1C ZINC001459981820 985681003 /nfs/dbraw/zinc/68/10/03/985681003.db2.gz BXZNLXAIQTWQMF-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@@H]1C ZINC001459981820 985681013 /nfs/dbraw/zinc/68/10/13/985681013.db2.gz BXZNLXAIQTWQMF-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H]1C ZINC001459981820 985681024 /nfs/dbraw/zinc/68/10/24/985681024.db2.gz BXZNLXAIQTWQMF-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H]1C ZINC001459981820 985681028 /nfs/dbraw/zinc/68/10/28/985681028.db2.gz BXZNLXAIQTWQMF-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC2OCCCO2)C1 ZINC000688568952 985684920 /nfs/dbraw/zinc/68/49/20/985684920.db2.gz LVGVLPWTOXOUAQ-GFCCVEGCSA-N 2 1 242.363 1.023 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cncnc3)(C1)CCC2 ZINC001276302382 985697607 /nfs/dbraw/zinc/69/76/07/985697607.db2.gz HKXUQHDRQFKZBO-UONOGXRCSA-N 2 1 246.358 1.631 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001579114299 985745666 /nfs/dbraw/zinc/74/56/66/985745666.db2.gz KUJQYCCKEZYKNT-WRWGMCAJSA-N 2 1 212.337 1.142 20 0 BDADMP COc1ccc(F)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001579224071 985825062 /nfs/dbraw/zinc/82/50/62/985825062.db2.gz XHBQZGYBTFNWFC-XYPYZODXSA-N 2 1 224.279 1.414 20 0 BDADMP COc1ccccc1[C@H](C)[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001579315244 985833387 /nfs/dbraw/zinc/83/33/87/985833387.db2.gz AYQVVLNUSCDCAV-ZOWXZIJZSA-N 2 1 246.354 1.955 20 0 BDADMP C[C@@H](O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460695075 985878141 /nfs/dbraw/zinc/87/81/41/985878141.db2.gz YHTUKHQGMCWWLS-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001460774829 985894150 /nfs/dbraw/zinc/89/41/50/985894150.db2.gz QNFIFKCQABDPAX-ZOBORPQBSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001460774829 985894154 /nfs/dbraw/zinc/89/41/54/985894154.db2.gz QNFIFKCQABDPAX-ZOBORPQBSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001460774829 985894162 /nfs/dbraw/zinc/89/41/62/985894162.db2.gz QNFIFKCQABDPAX-ZOBORPQBSA-N 2 1 238.375 1.173 20 0 BDADMP C[C@@H]1CC[C@H](CO)[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001579429240 985912923 /nfs/dbraw/zinc/91/29/23/985912923.db2.gz MNJFHOKHSPDGLK-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001206606468 985925092 /nfs/dbraw/zinc/92/50/92/985925092.db2.gz NUUCLNBWFJTBNH-IYXRBSQSSA-N 3 1 237.391 1.319 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC001579454566 985939239 /nfs/dbraw/zinc/93/92/39/985939239.db2.gz LGTBRQTUUGDRHA-FRRDWIJNSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](CCO)CC1 ZINC001579454496 985939777 /nfs/dbraw/zinc/93/97/77/985939777.db2.gz GZZALRYXZALEPU-RDBSUJKOSA-N 2 1 240.391 1.326 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC001579454428 985942976 /nfs/dbraw/zinc/94/29/76/985942976.db2.gz BHDMSOFDYYHZSI-NEPJUHHUSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC2(CCC2)C1 ZINC001579455429 985949437 /nfs/dbraw/zinc/94/94/37/985949437.db2.gz CXNCVPJGZBBAQJ-NEPJUHHUSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC2(CCC2)C1 ZINC001579455429 985949449 /nfs/dbraw/zinc/94/94/49/985949449.db2.gz CXNCVPJGZBBAQJ-NEPJUHHUSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001579459528 985949642 /nfs/dbraw/zinc/94/96/42/985949642.db2.gz GGLYBZHGEAMGSD-FRRDWIJNSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001579459528 985949619 /nfs/dbraw/zinc/94/96/19/985949619.db2.gz GGLYBZHGEAMGSD-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001579459528 985949625 /nfs/dbraw/zinc/94/96/25/985949625.db2.gz GGLYBZHGEAMGSD-FRRDWIJNSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001579459527 985955151 /nfs/dbraw/zinc/95/51/51/985955151.db2.gz GGLYBZHGEAMGSD-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001579459527 985955167 /nfs/dbraw/zinc/95/51/67/985955167.db2.gz GGLYBZHGEAMGSD-AGIUHOORSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001579459527 985955184 /nfs/dbraw/zinc/95/51/84/985955184.db2.gz GGLYBZHGEAMGSD-AGIUHOORSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC001579473519 985984579 /nfs/dbraw/zinc/98/45/79/985984579.db2.gz CFVHTPSWGSSCAZ-AGIUHOORSA-N 2 1 222.332 1.220 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001579505243 986051318 /nfs/dbraw/zinc/05/13/18/986051318.db2.gz RJYJAVRJNWTNQH-UTUOFQBUSA-N 2 1 225.380 1.199 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC001579543866 986074858 /nfs/dbraw/zinc/07/48/58/986074858.db2.gz MDWHOWRAEGZWCD-WCQYABFASA-N 2 1 249.358 1.716 20 0 BDADMP COc1cccnc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615479 986096054 /nfs/dbraw/zinc/09/60/54/986096054.db2.gz FHLNWXLDADNYFX-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP COc1cccnc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615479 986096072 /nfs/dbraw/zinc/09/60/72/986096072.db2.gz FHLNWXLDADNYFX-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP Cc1cc(C)c2c(c1)CC[N@H+](C[C@](C)(O)C[NH3+])C2 ZINC001579576803 986096359 /nfs/dbraw/zinc/09/63/59/986096359.db2.gz OFAKOHZZGSUGRC-OAHLLOKOSA-N 2 1 248.370 1.371 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(C)n1 ZINC001579601477 986123298 /nfs/dbraw/zinc/12/32/98/986123298.db2.gz QMJAEXOTNKHTFM-ITGUQSILSA-N 2 1 217.316 1.006 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2O)cc1C ZINC001579696982 986190186 /nfs/dbraw/zinc/19/01/86/986190186.db2.gz QPLWMODQKMCOKA-UONOGXRCSA-N 2 1 234.343 1.116 20 0 BDADMP Cc1cccc2c1C[N@@H+](CCC1C[NH2+]C1)CC2 ZINC001579779204 986220272 /nfs/dbraw/zinc/22/02/72/986220272.db2.gz HZOVSRLYCXHXBU-UHFFFAOYSA-N 2 1 230.355 1.963 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](CCO)CC2CC2)CC1 ZINC001462215173 986313706 /nfs/dbraw/zinc/31/37/06/986313706.db2.gz CDHNPLODAHWHHP-UHFFFAOYSA-N 2 1 240.391 1.423 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579923588 986340190 /nfs/dbraw/zinc/34/01/90/986340190.db2.gz GAXBKMBFUKHUKO-MNOVXSKESA-N 2 1 221.304 1.024 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579923588 986340204 /nfs/dbraw/zinc/34/02/04/986340204.db2.gz GAXBKMBFUKHUKO-MNOVXSKESA-N 2 1 221.304 1.024 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccnc2N)C1 ZINC001206566205 986424535 /nfs/dbraw/zinc/42/45/35/986424535.db2.gz YIYFXVPLKHVDQG-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP [NH3+][C@H](C[NH2+][C@@H](CCO)C1CC1)CC(F)(F)F ZINC001580133438 986598785 /nfs/dbraw/zinc/59/87/85/986598785.db2.gz YRNMHCFBCKNUEU-IUCAKERBSA-N 2 1 240.269 1.017 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCCC[C@@H]1O)C2 ZINC001580170792 986646926 /nfs/dbraw/zinc/64/69/26/986646926.db2.gz ZKSWUZAOFJKIDH-HPCHECBXSA-N 2 1 238.375 1.349 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C[C@@]1(C)O ZINC001254516438 986653740 /nfs/dbraw/zinc/65/37/40/986653740.db2.gz MJTKZWHPKMWMOB-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@@]1(C)O ZINC001254516438 986653752 /nfs/dbraw/zinc/65/37/52/986653752.db2.gz MJTKZWHPKMWMOB-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@@]1(C)O ZINC001254516438 986653763 /nfs/dbraw/zinc/65/37/63/986653763.db2.gz MJTKZWHPKMWMOB-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC(=O)C1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525079 986669322 /nfs/dbraw/zinc/66/93/22/986669322.db2.gz FXSPFQWMDNXQPY-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)C1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525079 986669334 /nfs/dbraw/zinc/66/93/34/986669334.db2.gz FXSPFQWMDNXQPY-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@](O)(C3CC3)C2)CCC1 ZINC001580244507 986696555 /nfs/dbraw/zinc/69/65/55/986696555.db2.gz ZKCWHDZGEKRAED-CQSZACIVSA-N 2 1 238.375 1.352 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@H](C3CC3)C2)CC1 ZINC001580243409 986696764 /nfs/dbraw/zinc/69/67/64/986696764.db2.gz FURITTYBEDFCSP-LBPRGKRZSA-N 2 1 208.349 1.847 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCC[C@@H]1CCO1 ZINC001580254677 986707776 /nfs/dbraw/zinc/70/77/76/986707776.db2.gz YWPOONUTLGVJSO-JHJVBQTASA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCC[C@@H]1CCO1 ZINC001580254677 986707789 /nfs/dbraw/zinc/70/77/89/986707789.db2.gz YWPOONUTLGVJSO-JHJVBQTASA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12C[N@H+](Cc3cc[nH]n3)C[C@H]1CCCC2 ZINC001580256862 986709949 /nfs/dbraw/zinc/70/99/49/986709949.db2.gz YNXUMRXOQKKZPE-DGCLKSJQSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@]12C[N@@H+](Cc3cc[nH]n3)C[C@H]1CCCC2 ZINC001580256862 986709958 /nfs/dbraw/zinc/70/99/58/986709958.db2.gz YNXUMRXOQKKZPE-DGCLKSJQSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCCC[C@H]1O ZINC001580254733 986711064 /nfs/dbraw/zinc/71/10/64/986711064.db2.gz ZMTZYFJEMAUMIZ-REWJHTLYSA-N 2 1 238.375 1.351 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCCC[C@H]1O ZINC001580254733 986711068 /nfs/dbraw/zinc/71/10/68/986711068.db2.gz ZMTZYFJEMAUMIZ-REWJHTLYSA-N 2 1 238.375 1.351 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001580287428 986731756 /nfs/dbraw/zinc/73/17/56/986731756.db2.gz UNWAWZIGJJFBQR-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n(C)n1 ZINC000382009291 986741672 /nfs/dbraw/zinc/74/16/72/986741672.db2.gz LVIZCUABTZUOJA-NSHDSACASA-N 2 1 222.336 1.042 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)n(C)n1 ZINC000382009291 986741680 /nfs/dbraw/zinc/74/16/80/986741680.db2.gz LVIZCUABTZUOJA-NSHDSACASA-N 2 1 222.336 1.042 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3ccncn3)C2)C1 ZINC001580418855 986836408 /nfs/dbraw/zinc/83/64/08/986836408.db2.gz IOOQRXPGFNYBEF-RWMBFGLXSA-N 2 1 246.358 1.393 20 0 BDADMP CCc1nc(N[C@@H](C[NH3+])C(C)(C)C)cc(C)[nH+]1 ZINC000393974524 986868582 /nfs/dbraw/zinc/86/85/82/986868582.db2.gz XJYKDVWCOQIERB-JTQLQIEISA-N 2 1 236.363 1.555 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001255467935 986973514 /nfs/dbraw/zinc/97/35/14/986973514.db2.gz LXWLUNARLSGQKE-CQSZACIVSA-N 2 1 233.359 1.694 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255566235 987020472 /nfs/dbraw/zinc/02/04/72/987020472.db2.gz DXHONKYZFFNOSE-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)CC(F)(F)F ZINC001255638441 987036795 /nfs/dbraw/zinc/03/67/95/987036795.db2.gz AWLYUGUFEZVHCG-HTQZYQBOSA-N 2 1 212.259 1.854 20 0 BDADMP C[C@H](CC(F)(F)F)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001255638442 987037576 /nfs/dbraw/zinc/03/75/76/987037576.db2.gz AWLYUGUFEZVHCG-JGVFFNPUSA-N 2 1 212.259 1.854 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CN(C)C1 ZINC001255942627 987079722 /nfs/dbraw/zinc/07/97/22/987079722.db2.gz GRZJLIHNRTUIJZ-NSHDSACASA-N 2 1 213.369 1.010 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001245997763 987281201 /nfs/dbraw/zinc/28/12/01/987281201.db2.gz XKLDJSIDMSICDZ-RDBSUJKOSA-N 2 1 242.407 1.905 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246014858 987298770 /nfs/dbraw/zinc/29/87/70/987298770.db2.gz SIVMVVLSWMSRNR-RYUDHWBXSA-N 2 1 214.353 1.351 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246014858 987298780 /nfs/dbraw/zinc/29/87/80/987298780.db2.gz SIVMVVLSWMSRNR-RYUDHWBXSA-N 2 1 214.353 1.351 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016565 987301228 /nfs/dbraw/zinc/30/12/28/987301228.db2.gz LZVRSJDHEDJVEH-MNOVXSKESA-N 2 1 214.353 1.207 20 0 BDADMP C[C@H]1CC[N@@H+](CC(C)(C)O)CC[C@H]1C[NH3+] ZINC001246024158 987303110 /nfs/dbraw/zinc/30/31/10/987303110.db2.gz QRGMLDSVUXOEHB-QWRGUYRKSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019625 987305276 /nfs/dbraw/zinc/30/52/76/987305276.db2.gz GPHXRWJDZACERQ-TZMCWYRMSA-N 2 1 242.407 1.844 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020801 987306071 /nfs/dbraw/zinc/30/60/71/987306071.db2.gz MEYMLBJDSSUWOV-YPMHNXCESA-N 2 1 246.370 1.546 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246019122 987307894 /nfs/dbraw/zinc/30/78/94/987307894.db2.gz HIOOELRLRBHMBD-RYUDHWBXSA-N 2 1 214.353 1.351 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246022120 987312941 /nfs/dbraw/zinc/31/29/41/987312941.db2.gz OWPOJPBODHRCSU-QWHCGFSZSA-N 2 1 228.380 1.598 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246025343 987320681 /nfs/dbraw/zinc/32/06/81/987320681.db2.gz WWWSCXFZBIBQBA-KBPBESRZSA-N 2 1 242.407 1.988 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028125 987325533 /nfs/dbraw/zinc/32/55/33/987325533.db2.gz ABPYXJATMQMKSR-ZIAGYGMSSA-N 2 1 242.407 1.988 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246033265 987336974 /nfs/dbraw/zinc/33/69/74/987336974.db2.gz UPSMPIOLVHCBBR-OUAUKWLOSA-N 2 1 232.343 1.155 20 0 BDADMP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246033265 987336988 /nfs/dbraw/zinc/33/69/88/987336988.db2.gz UPSMPIOLVHCBBR-OUAUKWLOSA-N 2 1 232.343 1.155 20 0 BDADMP C[N@@H+](CCOCC1CC1)C[C@H]1CCCC[NH2+]C1 ZINC000697090375 987349622 /nfs/dbraw/zinc/34/96/22/987349622.db2.gz YYBOYYVTOYQIIU-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CCCCC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246060591 987351206 /nfs/dbraw/zinc/35/12/06/987351206.db2.gz VEKHNPGVOXYMSQ-QWRGUYRKSA-N 2 1 202.342 1.207 20 0 BDADMP CCCCC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246060591 987351213 /nfs/dbraw/zinc/35/12/13/987351213.db2.gz VEKHNPGVOXYMSQ-QWRGUYRKSA-N 2 1 202.342 1.207 20 0 BDADMP C[C@H](CC[NH2+]Cc1ccn(C)c1)[NH+](C)C ZINC000697881614 987366657 /nfs/dbraw/zinc/36/66/57/987366657.db2.gz WQRQIBSCEDXEDJ-LLVKDONJSA-N 2 1 209.337 1.455 20 0 BDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCOC1 ZINC000699316182 987373309 /nfs/dbraw/zinc/37/33/09/987373309.db2.gz XLYTXQUCULEJIY-PSEXLTFBSA-N 2 1 224.348 1.238 20 0 BDADMP Cc1cc(C)n(CC[NH2+][C@H]2CC[C@H](C)NC2)n1 ZINC001246083706 987379874 /nfs/dbraw/zinc/37/98/74/987379874.db2.gz HZZWSRAZWANRTJ-GWCFXTLKSA-N 2 1 236.363 1.230 20 0 BDADMP CC1(C)C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)CO1 ZINC001246092050 987398090 /nfs/dbraw/zinc/39/80/90/987398090.db2.gz RTAGEONVPNBLBN-WDEREUQCSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001246101798 987423211 /nfs/dbraw/zinc/42/32/11/987423211.db2.gz MGJYHFUWOFHUAY-IJLUTSLNSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246102725 987428659 /nfs/dbraw/zinc/42/86/59/987428659.db2.gz DZCDNGSRRWWCMW-AAEUAGOBSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246102728 987429113 /nfs/dbraw/zinc/42/91/13/987429113.db2.gz DZCDNGSRRWWCMW-YPMHNXCESA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105431 987433934 /nfs/dbraw/zinc/43/39/34/987433934.db2.gz MMJQFBFHVIJOCJ-TZMCWYRMSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106679 987434269 /nfs/dbraw/zinc/43/42/69/987434269.db2.gz DXKKBSVZILMTNH-IZXDZPFWSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246112115 987445354 /nfs/dbraw/zinc/44/53/54/987445354.db2.gz NBBYLIVMZKRPGO-HPCHECBXSA-N 3 1 239.407 1.351 20 0 BDADMP CCSC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246117948 987463180 /nfs/dbraw/zinc/46/31/80/987463180.db2.gz NPIQSIRWDMOEHA-GMTAPVOTSA-N 2 1 216.394 1.716 20 0 BDADMP CSCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127121 987472051 /nfs/dbraw/zinc/47/20/51/987472051.db2.gz ANZOQZUQKYTKQC-NXEZZACHSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246117098 987457802 /nfs/dbraw/zinc/45/78/02/987457802.db2.gz IGWQXYIZXUNWRE-MWWBDVBNSA-N 3 1 237.391 1.247 20 0 BDADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[NH2+]C1 ZINC001246116942 987460748 /nfs/dbraw/zinc/46/07/48/987460748.db2.gz HBKMJLIJIGDMBF-ICIURTGMSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001246117872 987464221 /nfs/dbraw/zinc/46/42/21/987464221.db2.gz MOMSRBUEUHQHOY-JVGWCMFKSA-N 2 1 224.348 1.284 20 0 BDADMP CCSC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246117949 987465770 /nfs/dbraw/zinc/46/57/70/987465770.db2.gz NPIQSIRWDMOEHA-OUAUKWLOSA-N 2 1 216.394 1.716 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246123488 987471065 /nfs/dbraw/zinc/47/10/65/987471065.db2.gz APUMSRVPVJLHCY-FRRDWIJNSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246127396 987474531 /nfs/dbraw/zinc/47/45/31/987474531.db2.gz KKIOMTJLYRLMAF-XJFOESAGSA-N 3 1 237.391 1.106 20 0 BDADMP C[NH+](C)C1CCC(N[C@H]2C[NH2+]CC23CC3)CC1 ZINC001246129718 987475937 /nfs/dbraw/zinc/47/59/37/987475937.db2.gz HHFBZHFGMIDNNV-BPCQOVAHSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC001246127668 987477624 /nfs/dbraw/zinc/47/76/24/987477624.db2.gz MDEAEKUMOUPLFY-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12CCC[C@H]1C[NH2+]C2 ZINC001246127942 987479499 /nfs/dbraw/zinc/47/94/99/987479499.db2.gz LYKLCEXKMWYOMX-DFKRWLTFSA-N 3 1 249.402 1.249 20 0 BDADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246134705 987488862 /nfs/dbraw/zinc/48/88/62/987488862.db2.gz RVPGHKIFZWUTEX-CHWSQXEVSA-N 2 1 240.391 1.779 20 0 BDADMP C1[NH2+][C@@H]2COC[C@@H]2[C@@H]1[NH2+]C1CCCCCCC1 ZINC001246137717 987496685 /nfs/dbraw/zinc/49/66/85/987496685.db2.gz ZXNAFAKLNIVTFU-MGPQQGTHSA-N 2 1 238.375 1.676 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001246153468 987516128 /nfs/dbraw/zinc/51/61/28/987516128.db2.gz SBVGXQZAVJZNHI-QCNOEVLYSA-N 2 1 240.347 1.045 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCCC2)C[NH2+]1 ZINC001246162355 987522671 /nfs/dbraw/zinc/52/26/71/987522671.db2.gz OZWGTRDCUMUHBX-ZIAGYGMSSA-N 3 1 239.407 1.593 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C23CCC([NH3+])(CC2)CC3)C[NH2+]1 ZINC001246164180 987527443 /nfs/dbraw/zinc/52/74/43/987527443.db2.gz UBHLVQDFVPUIOQ-FEPKRQSRSA-N 3 1 237.391 1.521 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[NH2+]C1 ZINC001246168895 987532344 /nfs/dbraw/zinc/53/23/44/987532344.db2.gz FWXNYQCHKZDCLH-LBPRGKRZSA-N 2 1 213.369 1.060 20 0 BDADMP COc1ccc(CCCN[C@@H]2CCC[NH2+]C2)cc1 ZINC001246167811 987533896 /nfs/dbraw/zinc/53/38/96/987533896.db2.gz GGNALJYVMQPUHO-CQSZACIVSA-N 2 1 248.370 1.969 20 0 BDADMP COc1ccc(CCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246167811 987533905 /nfs/dbraw/zinc/53/39/05/987533905.db2.gz GGNALJYVMQPUHO-CQSZACIVSA-N 2 1 248.370 1.969 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(N)=O)CC[NH2+]1 ZINC001246181574 987557167 /nfs/dbraw/zinc/55/71/67/987557167.db2.gz ZTTSXDWJBHSYEU-PWSUYJOCSA-N 2 1 247.342 1.016 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC23CC[NH2+]CC3)C[NH2+]1 ZINC001246184485 987561970 /nfs/dbraw/zinc/56/19/70/987561970.db2.gz SKZLXBOEAFBPBA-AGIUHOORSA-N 3 1 237.391 1.106 20 0 BDADMP Nc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC001246188690 987571180 /nfs/dbraw/zinc/57/11/80/987571180.db2.gz UJBHHYJCBOVUMH-FOSCPWQOSA-N 2 1 232.331 1.036 20 0 BDADMP CSCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842597 987581986 /nfs/dbraw/zinc/58/19/86/987581986.db2.gz RMXAJKUSJUENRT-MNOVXSKESA-N 2 1 214.378 1.233 20 0 BDADMP CSCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842597 987581995 /nfs/dbraw/zinc/58/19/95/987581995.db2.gz RMXAJKUSJUENRT-MNOVXSKESA-N 2 1 214.378 1.233 20 0 BDADMP CSCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842597 987582004 /nfs/dbraw/zinc/58/20/04/987582004.db2.gz RMXAJKUSJUENRT-MNOVXSKESA-N 2 1 214.378 1.233 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C[NH2+]1 ZINC001246223744 987621611 /nfs/dbraw/zinc/62/16/11/987621611.db2.gz UVMGKUWEXODURW-KIJLLGNVSA-N 2 1 208.349 1.905 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc32)CC[NH2+]1 ZINC001246237342 987636330 /nfs/dbraw/zinc/63/63/30/987636330.db2.gz SCAHWHUZFDIVSQ-RAIGVLPGSA-N 2 1 231.343 1.799 20 0 BDADMP c1cncc(CCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246241466 987643273 /nfs/dbraw/zinc/64/32/73/987643273.db2.gz XHQVRMPZXHOBBZ-CYBMUJFWSA-N 2 1 219.332 1.356 20 0 BDADMP CCOC(=O)C1(C[NH2+][C@H]2CCC[NH2+]C2)CCC1 ZINC001246275235 987670531 /nfs/dbraw/zinc/67/05/31/987670531.db2.gz ZRCWPYDBBIFFTC-NSHDSACASA-N 2 1 240.347 1.061 20 0 BDADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246297502 987690272 /nfs/dbraw/zinc/69/02/72/987690272.db2.gz GTBPRYJPVPJKBH-XDQVBPFNSA-N 2 1 242.407 1.761 20 0 BDADMP CCCC(CCC)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246299532 987693013 /nfs/dbraw/zinc/69/30/13/987693013.db2.gz LRVHMKGIQULNDI-PWSUYJOCSA-N 2 1 214.353 1.125 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH3+])CC[NH2+]1 ZINC001246299979 987694979 /nfs/dbraw/zinc/69/49/79/987694979.db2.gz LBSKUPMYKLZLHF-JHJVBQTASA-N 3 1 227.396 1.624 20 0 BDADMP CCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246306640 987703556 /nfs/dbraw/zinc/70/35/56/987703556.db2.gz LABLMHZCQNKBHA-IHRRRGAJSA-N 2 1 242.407 1.905 20 0 BDADMP CC[C@H]1CC([NH2+]CC[C@@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306660 987704880 /nfs/dbraw/zinc/70/48/80/987704880.db2.gz RHFBROUPAIWLTA-WOPDTQHZSA-N 3 1 227.396 1.623 20 0 BDADMP C[C@@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246307637 987708648 /nfs/dbraw/zinc/70/86/48/987708648.db2.gz ZWXGISGYLMFYJB-CHWSQXEVSA-N 3 1 239.407 1.768 20 0 BDADMP CC[C@@H]([NH3+])CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246309884 987712982 /nfs/dbraw/zinc/71/29/82/987712982.db2.gz BJDBRTZAECGEGB-ODWCKFRGSA-N 2 1 225.380 1.329 20 0 BDADMP CC[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246310188 987713164 /nfs/dbraw/zinc/71/31/64/987713164.db2.gz ZNYGAXXHOJLTFB-XQQFMLRXSA-N 3 1 227.396 1.480 20 0 BDADMP CC[C@@H](N)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001246312131 987714715 /nfs/dbraw/zinc/71/47/15/987714715.db2.gz GCLHASVIBJDRNQ-QWHCGFSZSA-N 2 1 229.412 1.824 20 0 BDADMP Oc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246313068 987717540 /nfs/dbraw/zinc/71/75/40/987717540.db2.gz XMRUGLQBDCVVQR-UONOGXRCSA-N 2 1 246.354 1.591 20 0 BDADMP CO[C@H](C)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001474443041 987722253 /nfs/dbraw/zinc/72/22/53/987722253.db2.gz PHZZSILHCOUQBT-OLZOCXBDSA-N 2 1 244.379 1.112 20 0 BDADMP CC[C@H](N)C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246317599 987724040 /nfs/dbraw/zinc/72/40/40/987724040.db2.gz OAFMEXSFWXHOFS-HIFPTAJRSA-N 2 1 225.380 1.236 20 0 BDADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC001246322254 987728092 /nfs/dbraw/zinc/72/80/92/987728092.db2.gz GUNROJPVFKLQKU-TUAOUCFPSA-N 2 1 240.347 1.060 20 0 BDADMP CCCCC[C@H]([NH2+]C1CC[NH2+]CC1)C(=O)NC ZINC001246326312 987732641 /nfs/dbraw/zinc/73/26/41/987732641.db2.gz LRQWDOBTZAWUFL-LBPRGKRZSA-N 2 1 241.379 1.023 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246360259 987767871 /nfs/dbraw/zinc/76/78/71/987767871.db2.gz WMGVQGZUGYMUFB-VXGBXAGGSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CCC2)CC[NH2+]1 ZINC001246380908 987777212 /nfs/dbraw/zinc/77/72/12/987777212.db2.gz ZHSCUHRPDMHQIY-NXEZZACHSA-N 2 1 200.301 1.609 20 0 BDADMP c1ncn(CC2CCC2)c1C[NH2+]C1CC[NH2+]CC1 ZINC001246384889 987780700 /nfs/dbraw/zinc/78/07/00/987780700.db2.gz LXRBIHCDFYTLQV-UHFFFAOYSA-N 2 1 248.374 1.525 20 0 BDADMP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246442297 987799274 /nfs/dbraw/zinc/79/92/74/987799274.db2.gz CUJMGJUJKBNGNN-NKWVEPMBSA-N 2 1 208.227 1.279 20 0 BDADMP C[C@@]1([NH2+][C@@H]2CCC[NH2+]C2)CC[C@@H](O)CC1 ZINC001246460513 987820866 /nfs/dbraw/zinc/82/08/66/987820866.db2.gz JKWMHQTWJBKDPQ-IJLUTSLNSA-N 2 1 212.337 1.022 20 0 BDADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC1 ZINC001474760405 987821084 /nfs/dbraw/zinc/82/10/84/987821084.db2.gz NUTKRAAUONTPNL-BFHYXJOUSA-N 2 1 236.359 1.523 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246485555 987840581 /nfs/dbraw/zinc/84/05/81/987840581.db2.gz AXBXJPCVLGXXMX-CHWSQXEVSA-N 2 1 225.380 1.272 20 0 BDADMP CSC(C)(C)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246487520 987843760 /nfs/dbraw/zinc/84/37/60/987843760.db2.gz GQMMBMWZFJVORB-GHMZBOCLSA-N 2 1 245.436 1.058 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246498207 987852982 /nfs/dbraw/zinc/85/29/82/987852982.db2.gz GZCXZGAYQOGEGZ-LPWJVIDDSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CC[NH2+]1 ZINC001246506307 987859901 /nfs/dbraw/zinc/85/99/01/987859901.db2.gz PJXKPRNZMSULPQ-WCQYABFASA-N 2 1 244.342 1.564 20 0 BDADMP CCCCC[N@@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522734 987871962 /nfs/dbraw/zinc/87/19/62/987871962.db2.gz BSYRSRFTLSRAPP-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246532646 987889488 /nfs/dbraw/zinc/88/94/88/987889488.db2.gz XKPUHCOXOSYPIG-AAEUAGOBSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246532646 987889491 /nfs/dbraw/zinc/88/94/91/987889491.db2.gz XKPUHCOXOSYPIG-AAEUAGOBSA-N 2 1 242.363 1.531 20 0 BDADMP CC1(C)CC[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246539143 987899809 /nfs/dbraw/zinc/89/98/09/987899809.db2.gz AZSKVKPSTMARBQ-OCCSQVGLSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@H]1C[N@@H+]([C@@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246540857 987903928 /nfs/dbraw/zinc/90/39/28/987903928.db2.gz KGXFQCIREJAMQW-QJPTWQEYSA-N 3 1 225.380 1.044 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246540857 987903931 /nfs/dbraw/zinc/90/39/31/987903931.db2.gz KGXFQCIREJAMQW-QJPTWQEYSA-N 3 1 225.380 1.044 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540728 987904825 /nfs/dbraw/zinc/90/48/25/987904825.db2.gz KAMXNZYKHFLTAN-LOWDOPEQSA-N 3 1 225.380 1.044 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540728 987904829 /nfs/dbraw/zinc/90/48/29/987904829.db2.gz KAMXNZYKHFLTAN-LOWDOPEQSA-N 3 1 225.380 1.044 20 0 BDADMP CCOC(=O)CC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543111 987908985 /nfs/dbraw/zinc/90/89/85/987908985.db2.gz TXSBQKACYGITLJ-QJPTWQEYSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)CC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543112 987910621 /nfs/dbraw/zinc/91/06/21/987910621.db2.gz TXSBQKACYGITLJ-SDDRHHMPSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CCOC3)CC2)C[NH2+]1 ZINC001246545559 987918281 /nfs/dbraw/zinc/91/82/81/987918281.db2.gz GYVMNNHZPSGGPN-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544971 987919739 /nfs/dbraw/zinc/91/97/39/987919739.db2.gz IOQGGHWYFDEPNE-RVMXOQNASA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544971 987919751 /nfs/dbraw/zinc/91/97/51/987919751.db2.gz IOQGGHWYFDEPNE-RVMXOQNASA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC001246544378 987921955 /nfs/dbraw/zinc/92/19/55/987921955.db2.gz RGAHBCGCVQIITC-NEPJUHHUSA-N 2 1 244.404 1.058 20 0 BDADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246544396 987922029 /nfs/dbraw/zinc/92/20/29/987922029.db2.gz VMEICCYCCBWAAZ-MGPQQGTHSA-N 2 1 242.407 1.985 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246544396 987922040 /nfs/dbraw/zinc/92/20/40/987922040.db2.gz VMEICCYCCBWAAZ-MGPQQGTHSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246548197 987936275 /nfs/dbraw/zinc/93/62/75/987936275.db2.gz SPLYOHDTJUXIPH-OCCSQVGLSA-N 2 1 233.359 1.826 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549849 987939305 /nfs/dbraw/zinc/93/93/05/987939305.db2.gz IMNQMUKIKQEJOT-JSGCOSHPSA-N 3 1 239.407 1.720 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549849 987939311 /nfs/dbraw/zinc/93/93/11/987939311.db2.gz IMNQMUKIKQEJOT-JSGCOSHPSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246550643 987948453 /nfs/dbraw/zinc/94/84/53/987948453.db2.gz QSNJGMJFNGQVTQ-UJPOAAIJSA-N 2 1 223.364 1.033 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H]([NH3+])[C@H]1C)C2 ZINC001246551721 987952781 /nfs/dbraw/zinc/95/27/81/987952781.db2.gz VCRRNGHAUIDMNO-RIEGTJTDSA-N 2 1 246.354 1.584 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H]([NH3+])[C@H]1C)C2 ZINC001246551721 987952787 /nfs/dbraw/zinc/95/27/87/987952787.db2.gz VCRRNGHAUIDMNO-RIEGTJTDSA-N 2 1 246.354 1.584 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246553430 987961473 /nfs/dbraw/zinc/96/14/73/987961473.db2.gz RVWKXLZPNYQYLF-CHWSQXEVSA-N 2 1 226.364 1.759 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553592 987961834 /nfs/dbraw/zinc/96/18/34/987961834.db2.gz BNEOQQJGGNXRRC-AXFHLTTASA-N 2 1 248.317 1.470 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC001246555436 987971225 /nfs/dbraw/zinc/97/12/25/987971225.db2.gz FDVLLTWPBMAWRS-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246558456 987972423 /nfs/dbraw/zinc/97/24/23/987972423.db2.gz QFKCUFMOUWTICG-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246558456 987972434 /nfs/dbraw/zinc/97/24/34/987972434.db2.gz QFKCUFMOUWTICG-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246558455 987974293 /nfs/dbraw/zinc/97/42/93/987974293.db2.gz QFKCUFMOUWTICG-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246558455 987974301 /nfs/dbraw/zinc/97/43/01/987974301.db2.gz QFKCUFMOUWTICG-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1N ZINC001246559816 987987275 /nfs/dbraw/zinc/98/72/75/987987275.db2.gz FBRJKWPLMSXIGB-SYQHCUMBSA-N 2 1 237.391 1.188 20 0 BDADMP CCCCC(CCCC)[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001246560974 987993141 /nfs/dbraw/zinc/99/31/41/987993141.db2.gz WKTQGGRSPRUWHN-CHWSQXEVSA-N 2 1 228.380 1.739 20 0 BDADMP C[C@H]1CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246560697 987994505 /nfs/dbraw/zinc/99/45/05/987994505.db2.gz RZRRTFRAWILJKS-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246564363 988011095 /nfs/dbraw/zinc/01/10/95/988011095.db2.gz NBMJRJWIRBNIRX-YVECIDJPSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246564363 988011118 /nfs/dbraw/zinc/01/11/18/988011118.db2.gz NBMJRJWIRBNIRX-YVECIDJPSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCSC2)CCC[C@@H]1C[NH3+] ZINC001246563996 988017915 /nfs/dbraw/zinc/01/79/15/988017915.db2.gz DOTMTCXXTDMRRH-IJLUTSLNSA-N 2 1 228.405 1.799 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC1 ZINC001246564409 988020287 /nfs/dbraw/zinc/02/02/87/988020287.db2.gz NQFMRBMTKZWOAR-IWMBGFJWSA-N 2 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@@H](C)CC[C@@H]2C[NH3+])C1 ZINC001246566751 988024745 /nfs/dbraw/zinc/02/47/45/988024745.db2.gz IMMKSQYGPWZRGX-XQQFMLRXSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1[NH3+] ZINC001246566080 988029828 /nfs/dbraw/zinc/02/98/28/988029828.db2.gz DYCGIRRTSHLBBX-RKQHYHRCSA-N 2 1 237.391 1.281 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001246571847 988058065 /nfs/dbraw/zinc/05/80/65/988058065.db2.gz XJUCSLJADULJPP-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1F ZINC001246574302 988071288 /nfs/dbraw/zinc/07/12/88/988071288.db2.gz XVKZVVFJKUBAEQ-DMGDTADUSA-N 2 1 242.338 1.458 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1F ZINC001246574302 988071304 /nfs/dbraw/zinc/07/13/04/988071304.db2.gz XVKZVVFJKUBAEQ-DMGDTADUSA-N 2 1 242.338 1.458 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246578986 988099897 /nfs/dbraw/zinc/09/98/97/988099897.db2.gz XDXRMDHLEFXSKA-WOPDTQHZSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)C2)CC[NH2+]1 ZINC001246578986 988099911 /nfs/dbraw/zinc/09/99/11/988099911.db2.gz XDXRMDHLEFXSKA-WOPDTQHZSA-N 2 1 214.328 1.951 20 0 BDADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583146 988120135 /nfs/dbraw/zinc/12/01/35/988120135.db2.gz IJRSNOVVRGQGIN-RFGFWPKPSA-N 2 1 242.407 1.699 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246584257 988133115 /nfs/dbraw/zinc/13/31/15/988133115.db2.gz IQKRQGPQRFMNAX-RHYQMDGZSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246584257 988133130 /nfs/dbraw/zinc/13/31/30/988133130.db2.gz IQKRQGPQRFMNAX-RHYQMDGZSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCOCC2)C1 ZINC001246588030 988156410 /nfs/dbraw/zinc/15/64/10/988156410.db2.gz XPYJAYAKGIFYCT-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593682 988178313 /nfs/dbraw/zinc/17/83/13/988178313.db2.gz NDVQYXUNTBPJQT-STQMWFEESA-N 3 1 237.391 1.189 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246601451 988206916 /nfs/dbraw/zinc/20/69/16/988206916.db2.gz VJLSFRLMJKHZSQ-NSHDSACASA-N 2 1 219.332 1.293 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC([NH3+])C3)CC2)C[NH2+]1 ZINC001246600781 988209101 /nfs/dbraw/zinc/20/91/01/988209101.db2.gz IFYIBCURKFGZBX-DGCLKSJQSA-N 3 1 237.391 1.330 20 0 BDADMP C[C@@H](CC1CC1)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246618030 988249606 /nfs/dbraw/zinc/24/96/06/988249606.db2.gz JMELYKDBHDKVCO-UBHSHLNASA-N 2 1 237.391 1.201 20 0 BDADMP C1CC12CNCC[N@H+]2[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246624553 988284091 /nfs/dbraw/zinc/28/40/91/988284091.db2.gz NREISCOWPJFWLF-CYBMUJFWSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12C[NH2+]CCN2[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246624553 988284100 /nfs/dbraw/zinc/28/41/00/988284100.db2.gz NREISCOWPJFWLF-CYBMUJFWSA-N 2 1 249.402 1.347 20 0 BDADMP CC[C@@H](CC(C)C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246627495 988297248 /nfs/dbraw/zinc/29/72/48/988297248.db2.gz KHDCHQBCTDVIFD-KBPBESRZSA-N 2 1 239.407 1.448 20 0 BDADMP CC1(C)C[C@@H](N2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246629855 988306884 /nfs/dbraw/zinc/30/68/84/988306884.db2.gz QHEUZPWQCXEVAJ-NSHDSACASA-N 2 1 243.370 1.280 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC[NH2+]1 ZINC001246634757 988314368 /nfs/dbraw/zinc/31/43/68/988314368.db2.gz OVRSTOCMZSOMAM-DBIOUOCHSA-N 2 1 230.302 1.714 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC[NH2+]1 ZINC001246634759 988314760 /nfs/dbraw/zinc/31/47/60/988314760.db2.gz OVRSTOCMZSOMAM-ZDCRXTMVSA-N 2 1 230.302 1.714 20 0 BDADMP C1CC12CCC([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246637872 988325826 /nfs/dbraw/zinc/32/58/26/988325826.db2.gz AEICSNSHEFBGKO-HNNXBMFYSA-N 2 1 249.402 1.347 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246637219 988333642 /nfs/dbraw/zinc/33/36/42/988333642.db2.gz PNAYXLPNNQXTLN-MGPQQGTHSA-N 3 1 249.402 1.345 20 0 BDADMP CCCCC[C@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246640731 988344651 /nfs/dbraw/zinc/34/46/51/988344651.db2.gz GWNFNHWELXAZIY-KBPBESRZSA-N 2 1 239.407 1.593 20 0 BDADMP C1NCC12CCC[N@@H+]2[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246641626 988346512 /nfs/dbraw/zinc/34/65/12/988346512.db2.gz JLUVYAVCKOSNGL-ZDUSSCGKSA-N 2 1 249.402 1.347 20 0 BDADMP C1NCC12CCC[N@H+]2[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246641626 988346531 /nfs/dbraw/zinc/34/65/31/988346531.db2.gz JLUVYAVCKOSNGL-ZDUSSCGKSA-N 2 1 249.402 1.347 20 0 BDADMP CCCC[C@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645077 988359040 /nfs/dbraw/zinc/35/90/40/988359040.db2.gz SUDBVWPDLYQOBX-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP C1C[C@@H]2[C@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)O3)[NH2+]1 ZINC001246647074 988366787 /nfs/dbraw/zinc/36/67/87/988366787.db2.gz YOVCHTREFHMLEA-NTWDBFDFSA-N 2 1 222.332 1.133 20 0 BDADMP C1C[C@@]2(CO1)CCC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246648909 988374292 /nfs/dbraw/zinc/37/42/92/988374292.db2.gz UDJWZQYSAUOHLG-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1Cc3ccccc3C1)C2 ZINC001246653669 988380775 /nfs/dbraw/zinc/38/07/75/988380775.db2.gz IUODBLFZWGIUIH-DZGCQCFKSA-N 2 1 228.339 1.577 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1Cc3ccccc3C1)C2 ZINC001246653669 988380783 /nfs/dbraw/zinc/38/07/83/988380783.db2.gz IUODBLFZWGIUIH-DZGCQCFKSA-N 2 1 228.339 1.577 20 0 BDADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656141 988385617 /nfs/dbraw/zinc/38/56/17/988385617.db2.gz IVDFXZKWGJUXKH-POQQGIQPSA-N 3 1 237.391 1.186 20 0 BDADMP CCCC[C@@H]1C[C@H](N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656141 988385627 /nfs/dbraw/zinc/38/56/27/988385627.db2.gz IVDFXZKWGJUXKH-POQQGIQPSA-N 2 1 237.391 1.186 20 0 BDADMP CC(C)[C@@H]1C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)CCN1 ZINC001246689242 988435552 /nfs/dbraw/zinc/43/55/52/988435552.db2.gz ZLTBUAJWGCRXJU-STQMWFEESA-N 2 1 237.391 1.058 20 0 BDADMP CC(C)[C@@H]1CN([C@H]2CCC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246689242 988435562 /nfs/dbraw/zinc/43/55/62/988435562.db2.gz ZLTBUAJWGCRXJU-STQMWFEESA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CC[C@H](N2C[C@H](C)[N@@H+](C)C[C@H]2C)C[NH2+]1 ZINC001246688234 988437628 /nfs/dbraw/zinc/43/76/28/988437628.db2.gz DNRCMPARTOHLRM-XQHKEYJVSA-N 2 1 225.380 1.151 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246695051 988441283 /nfs/dbraw/zinc/44/12/83/988441283.db2.gz LERDITXLJCBNMB-STQMWFEESA-N 2 1 237.391 1.058 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246695051 988441290 /nfs/dbraw/zinc/44/12/90/988441290.db2.gz LERDITXLJCBNMB-STQMWFEESA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3cc(O)ccc3C2)CC[NH2+]1 ZINC001246694839 988444452 /nfs/dbraw/zinc/44/44/52/988444452.db2.gz XAWVEBRMVPRMEK-RISCZKNCSA-N 2 1 246.354 1.891 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCc3cc(O)ccc3C2)CC[NH2+]1 ZINC001246694839 988444463 /nfs/dbraw/zinc/44/44/63/988444463.db2.gz XAWVEBRMVPRMEK-RISCZKNCSA-N 2 1 246.354 1.891 20 0 BDADMP C(C1CC1)[N@H+]1CCC2(CN([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246722537 988447326 /nfs/dbraw/zinc/44/73/26/988447326.db2.gz QWDADMSSLRAAGT-CQSZACIVSA-N 2 1 249.402 1.156 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704420 988449341 /nfs/dbraw/zinc/44/93/41/988449341.db2.gz VKRNDHKLQPBMHG-RFQIPJPRSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704420 988449343 /nfs/dbraw/zinc/44/93/43/988449343.db2.gz VKRNDHKLQPBMHG-RFQIPJPRSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC[NH2+]1 ZINC001246704420 988449346 /nfs/dbraw/zinc/44/93/46/988449346.db2.gz VKRNDHKLQPBMHG-RFQIPJPRSA-N 3 1 237.391 1.010 20 0 BDADMP CC[N@@H+](C1CCN(C)CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246784939 988460264 /nfs/dbraw/zinc/46/02/64/988460264.db2.gz IQRWELCOLISLPY-JSGCOSHPSA-N 2 1 239.407 1.543 20 0 BDADMP CCN(C1CC[NH+](C)CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246784939 988460270 /nfs/dbraw/zinc/46/02/70/988460270.db2.gz IQRWELCOLISLPY-JSGCOSHPSA-N 2 1 239.407 1.543 20 0 BDADMP c1ccc(O[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC001246784634 988463720 /nfs/dbraw/zinc/46/37/20/988463720.db2.gz HFRCRPXMNNFREQ-OAHLLOKOSA-N 2 1 246.354 1.892 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCNC(C)(C)C2)CC1 ZINC001246817788 988503707 /nfs/dbraw/zinc/50/37/07/988503707.db2.gz UQPAKEXYHRFLAQ-UHFFFAOYSA-N 2 1 225.380 1.201 20 0 BDADMP C[NH2+]C1CCC(N2CC[NH2+]C(C)(C)C2)CC1 ZINC001246817788 988503715 /nfs/dbraw/zinc/50/37/15/988503715.db2.gz UQPAKEXYHRFLAQ-UHFFFAOYSA-N 2 1 225.380 1.201 20 0 BDADMP C[N@H+]1C[C@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246834963 988534291 /nfs/dbraw/zinc/53/42/91/988534291.db2.gz RMBBFHRXIIPQMN-MQAAVTGUSA-N 2 1 249.402 1.295 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246843057 988545426 /nfs/dbraw/zinc/54/54/26/988545426.db2.gz AWBDMPZPCZNEDL-NWDGAFQWSA-N 2 1 237.391 1.058 20 0 BDADMP C1C[C@@]2(C[N@@H+]1[C@H]1CCC[NH2+]C1)CCCOC2 ZINC001246850689 988564634 /nfs/dbraw/zinc/56/46/34/988564634.db2.gz CWZRXNSIOAKOIE-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@@]2(C[N@H+]1[C@H]1CCC[NH2+]C1)CCCOC2 ZINC001246850689 988564644 /nfs/dbraw/zinc/56/46/44/988564644.db2.gz CWZRXNSIOAKOIE-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246849676 988566456 /nfs/dbraw/zinc/56/64/56/988566456.db2.gz AMKGETCEQBQFPP-NTZNESFSSA-N 2 1 208.349 1.988 20 0 BDADMP CC[N@@H+](CCn1cccn1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246851629 988567984 /nfs/dbraw/zinc/56/79/84/988567984.db2.gz ZANUUYPUBOAORX-QWHCGFSZSA-N 2 1 236.363 1.346 20 0 BDADMP CSCC[C@H](C)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246851388 988572997 /nfs/dbraw/zinc/57/29/97/988572997.db2.gz FQNISXQEQLKEJB-DCAQKATOSA-N 2 1 214.378 1.551 20 0 BDADMP CCOCC[C@H](C)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246856410 988576942 /nfs/dbraw/zinc/57/69/42/988576942.db2.gz XBWXJZLRRKMBFU-SRVKXCTJSA-N 2 1 212.337 1.225 20 0 BDADMP CCOCC[C@H](C)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246856412 988581935 /nfs/dbraw/zinc/58/19/35/988581935.db2.gz XBWXJZLRRKMBFU-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CCCC[C@@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246862605 988603204 /nfs/dbraw/zinc/60/32/04/988603204.db2.gz UTMUHLJBZLCCLB-FKJOKYEKSA-N 2 1 226.364 1.471 20 0 BDADMP CCC1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246864799 988614431 /nfs/dbraw/zinc/61/44/31/988614431.db2.gz AQWXAHLEXONKBV-POOIEITISA-N 2 1 208.349 1.988 20 0 BDADMP CCC1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246864799 988614447 /nfs/dbraw/zinc/61/44/47/988614447.db2.gz AQWXAHLEXONKBV-POOIEITISA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+][C@]12C[C@H]1CN([C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001246867891 988629883 /nfs/dbraw/zinc/62/98/83/988629883.db2.gz IPRVTRSEILOHHP-CFVMTHIKSA-N 2 1 249.402 1.426 20 0 BDADMP C[C@H]1C[C@H](N2CC3(C2)CC[NH+](C)CC3)CC[NH2+]1 ZINC001246871861 988633276 /nfs/dbraw/zinc/63/32/76/988633276.db2.gz NYKBDOUHIUFJAO-QWHCGFSZSA-N 2 1 237.391 1.155 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC[NH2+]C1 ZINC001246872494 988635876 /nfs/dbraw/zinc/63/58/76/988635876.db2.gz APMKVLFTEYZCGU-DAAZQVBGSA-N 2 1 224.348 1.380 20 0 BDADMP CC[N@H+](CCNC)C1CCC2(CC[NH2+]C2)CC1 ZINC001246890733 988659429 /nfs/dbraw/zinc/65/94/29/988659429.db2.gz LADSPHMQFYIKSU-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CCNC)C1CCC2(CC[NH2+]C2)CC1 ZINC001246890733 988659432 /nfs/dbraw/zinc/65/94/32/988659432.db2.gz LADSPHMQFYIKSU-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC001246893635 988661320 /nfs/dbraw/zinc/66/13/20/988661320.db2.gz LKASUJNQBLESHX-WXHSDQCUSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC001246893635 988661325 /nfs/dbraw/zinc/66/13/25/988661325.db2.gz LKASUJNQBLESHX-WXHSDQCUSA-N 2 1 224.348 1.238 20 0 BDADMP CC[N@H+](CCNC)C1CCC([NH2+]C)CC1 ZINC001246893887 988664636 /nfs/dbraw/zinc/66/46/36/988664636.db2.gz XJXUOWBESREKSS-UHFFFAOYSA-N 2 1 213.369 1.058 20 0 BDADMP CCC[N@H+]([C@H](C)CC[NH2+]C)C1CC[NH2+]CC1 ZINC001246894584 988666643 /nfs/dbraw/zinc/66/66/43/988666643.db2.gz OAYROSZRMGLVGK-GFCCVEGCSA-N 3 1 227.396 1.448 20 0 BDADMP CCC[N@@H+]([C@H](C)CC[NH2+]C)C1CC[NH2+]CC1 ZINC001246894584 988666651 /nfs/dbraw/zinc/66/66/51/988666651.db2.gz OAYROSZRMGLVGK-GFCCVEGCSA-N 3 1 227.396 1.448 20 0 BDADMP CCC1(N)C[NH+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246896700 988671249 /nfs/dbraw/zinc/67/12/49/988671249.db2.gz ZHZUNELCTJOATB-CHWSQXEVSA-N 2 1 237.391 1.332 20 0 BDADMP CCC[NH+](C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246895721 988671933 /nfs/dbraw/zinc/67/19/33/988671933.db2.gz DXPYQMPXLCYOAZ-UHFFFAOYSA-N 3 1 225.380 1.202 20 0 BDADMP C[N@@H+](CCO)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246913095 988695538 /nfs/dbraw/zinc/69/55/38/988695538.db2.gz NBROYGWWGMRDPL-LBPRGKRZSA-N 2 1 226.364 1.365 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246917783 988715874 /nfs/dbraw/zinc/71/58/74/988715874.db2.gz SZSQMNMVIOHIAU-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246914131 988704315 /nfs/dbraw/zinc/70/43/15/988704315.db2.gz ZGIIDMFQWOQJOS-FDYHWXHSSA-N 3 1 225.380 1.329 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246917783 988715844 /nfs/dbraw/zinc/71/58/44/988715844.db2.gz SZSQMNMVIOHIAU-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]32)C1 ZINC001246919065 988726964 /nfs/dbraw/zinc/72/69/64/988726964.db2.gz MGQFVAJSHUKJJQ-GRYCIOLGSA-N 2 1 208.349 1.859 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246928738 988744739 /nfs/dbraw/zinc/74/47/39/988744739.db2.gz BWFVBENMKAVRLQ-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1C1CCSCC1 ZINC001246934207 988764810 /nfs/dbraw/zinc/76/48/10/988764810.db2.gz SQKDSVLGGSACDC-TXEJJXNPSA-N 2 1 240.416 1.813 20 0 BDADMP CCC[N@@H+]1C[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246942896 988772257 /nfs/dbraw/zinc/77/22/57/988772257.db2.gz RKPLTDMAGSMWBU-HZSPNIEDSA-N 2 1 237.391 1.012 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1C[C@@H]3CC[C@H]1CN3)C2 ZINC001246946084 988778921 /nfs/dbraw/zinc/77/89/21/988778921.db2.gz ZUEFBUOHPZSCMD-AJNGGQMLSA-N 2 1 249.402 1.345 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC001324288726 988783008 /nfs/dbraw/zinc/78/30/08/988783008.db2.gz ORDDQCVOUBFNQE-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C)C1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246948887 988786486 /nfs/dbraw/zinc/78/64/86/988786486.db2.gz GKUNXDPYYHARLD-OCCSQVGLSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@@H+](C)C1CCN(C2CC[NH2+]CC2)CC1 ZINC001246951146 988788903 /nfs/dbraw/zinc/78/89/03/988788903.db2.gz RWJRHFZTSRHOKJ-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP CC[C@H](N)C[N@@H+](C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246973477 988803092 /nfs/dbraw/zinc/80/30/92/988803092.db2.gz JNHCUQGWQDRUBS-HSBZDZAISA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH3+])CN(C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246973477 988803095 /nfs/dbraw/zinc/80/30/95/988803095.db2.gz JNHCUQGWQDRUBS-HSBZDZAISA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988536 988818905 /nfs/dbraw/zinc/81/89/05/988818905.db2.gz JTERAECWRUBTIA-NWDGAFQWSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988536 988818906 /nfs/dbraw/zinc/81/89/06/988818906.db2.gz JTERAECWRUBTIA-NWDGAFQWSA-N 2 1 226.364 1.471 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCNC3=CCCC[C@@H]32)CC1 ZINC001246993864 988828511 /nfs/dbraw/zinc/82/85/11/988828511.db2.gz IVIHMAYPWSZHFC-PIMMBPRGSA-N 2 1 249.402 1.859 20 0 BDADMP Cc1cc(NC(=O)N(C)C2CC([NH3+])C2)cc(C)[nH+]1 ZINC001325319975 989154806 /nfs/dbraw/zinc/15/48/06/989154806.db2.gz RTHDRVOHAJCYQD-UHFFFAOYSA-N 2 1 248.330 1.074 20 0 BDADMP CCOc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001325755520 989254676 /nfs/dbraw/zinc/25/46/76/989254676.db2.gz AUZXRDIBURAHRY-BSLXNSKLSA-N 2 1 246.354 1.954 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001119631310 989265524 /nfs/dbraw/zinc/26/55/24/989265524.db2.gz RSIXNTOAMKBOGZ-TUAOUCFPSA-N 3 1 227.396 1.338 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001119631308 989266846 /nfs/dbraw/zinc/26/68/46/989266846.db2.gz RSIXNTOAMKBOGZ-SDDRHHMPSA-N 3 1 227.396 1.338 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC(F)F ZINC001119640319 989278545 /nfs/dbraw/zinc/27/85/45/989278545.db2.gz OUHMIHHDOCKKMY-DHHPTOIESA-N 2 1 232.318 1.962 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC001326472612 989563483 /nfs/dbraw/zinc/56/34/83/989563483.db2.gz DJAKZHYSHOUCOD-UTUOFQBUSA-N 3 1 213.369 1.092 20 0 BDADMP CC[C@@H]([NH3+])c1nc([C@@H](N)c2ccccc2)no1 ZINC001326485649 989578237 /nfs/dbraw/zinc/57/82/37/989578237.db2.gz GRRQYXFEDREJDT-ZJUUUORDSA-N 2 1 232.287 1.528 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc[nH]3)C[C@@H]2C1 ZINC001120072144 989589345 /nfs/dbraw/zinc/58/93/45/989589345.db2.gz RSUBSCMTIFAMAF-MBNYWOFBSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]cn3)C[C@@H]2C1 ZINC001120072144 989589351 /nfs/dbraw/zinc/58/93/51/989589351.db2.gz RSUBSCMTIFAMAF-MBNYWOFBSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]cn3)C[C@@H]2C1 ZINC001120072144 989589354 /nfs/dbraw/zinc/58/93/54/989589354.db2.gz RSUBSCMTIFAMAF-MBNYWOFBSA-N 2 1 248.374 1.572 20 0 BDADMP Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)cc(C)[nH+]1 ZINC001120262615 989621792 /nfs/dbraw/zinc/62/17/92/989621792.db2.gz BESIYOQXGNMTPD-UHFFFAOYSA-N 2 1 249.358 1.837 20 0 BDADMP CC[C@@H](O)C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001120503595 989686727 /nfs/dbraw/zinc/68/67/27/989686727.db2.gz URCZBYGNCJEFPK-GFCCVEGCSA-N 2 1 216.369 1.325 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1 ZINC001120779727 989877179 /nfs/dbraw/zinc/87/71/79/989877179.db2.gz NMMHRSRSMYUKRD-OCCSQVGLSA-N 2 1 247.342 1.381 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cn1 ZINC001308554358 991036238 /nfs/dbraw/zinc/03/62/38/991036238.db2.gz OTSQOAFHOQKMIY-QLFBSQMISA-N 2 1 245.370 1.820 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+](C)C(C)(C)C[NH3+] ZINC001258177495 991076088 /nfs/dbraw/zinc/07/60/88/991076088.db2.gz WBXHXJRAZGYUDV-SNVBAGLBSA-N 2 1 210.321 1.880 20 0 BDADMP C[C@H](Cc1ccco1)[N@@H+](C)C(C)(C)C[NH3+] ZINC001258177495 991076096 /nfs/dbraw/zinc/07/60/96/991076096.db2.gz WBXHXJRAZGYUDV-SNVBAGLBSA-N 2 1 210.321 1.880 20 0 BDADMP CCCCC[C@@H](CC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001258432311 991366213 /nfs/dbraw/zinc/36/62/13/991366213.db2.gz OQLJIFCFLCKGKA-VXGBXAGGSA-N 2 1 244.379 1.683 20 0 BDADMP CCCCC[C@@H](CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001258432309 991367379 /nfs/dbraw/zinc/36/73/79/991367379.db2.gz OQLJIFCFLCKGKA-NWDGAFQWSA-N 2 1 244.379 1.683 20 0 BDADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001560055494 991367861 /nfs/dbraw/zinc/36/78/61/991367861.db2.gz BVHLQKKKNZAMSU-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001560055494 991367867 /nfs/dbraw/zinc/36/78/67/991367867.db2.gz BVHLQKKKNZAMSU-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001560055494 991367872 /nfs/dbraw/zinc/36/78/72/991367872.db2.gz BVHLQKKKNZAMSU-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000401664835 991390166 /nfs/dbraw/zinc/39/01/66/991390166.db2.gz WRIYDOFOUIUCMQ-YPMHNXCESA-N 2 1 248.374 1.719 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC1CC1 ZINC001258450059 991394174 /nfs/dbraw/zinc/39/41/74/991394174.db2.gz FEOHPMHTLFMXHW-CMPLNLGQSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnc2cnccn12 ZINC001560300946 991450076 /nfs/dbraw/zinc/45/00/76/991450076.db2.gz CAUGKWKCRWEROD-LLVKDONJSA-N 2 1 247.346 1.159 20 0 BDADMP CCCC1CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001258527498 991474479 /nfs/dbraw/zinc/47/44/79/991474479.db2.gz BMPHEJXQDHHWFH-UHFFFAOYSA-N 2 1 228.380 1.598 20 0 BDADMP CCCC1CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001258527498 991474490 /nfs/dbraw/zinc/47/44/90/991474490.db2.gz BMPHEJXQDHHWFH-UHFFFAOYSA-N 2 1 228.380 1.598 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001258610518 991532780 /nfs/dbraw/zinc/53/27/80/991532780.db2.gz OZQNXABLQBMXBY-JSGCOSHPSA-N 2 1 233.359 1.554 20 0 BDADMP C[N@@H+](Cc1ccncc1O)CC1CC[NH+](C)CC1 ZINC001140278559 991601242 /nfs/dbraw/zinc/60/12/42/991601242.db2.gz TWNHDNSLVRAQHU-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP C[N@H+](Cc1ccncc1O)CC1CC[NH+](C)CC1 ZINC001140278559 991601247 /nfs/dbraw/zinc/60/12/47/991601247.db2.gz TWNHDNSLVRAQHU-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccncn3)C2)CC1 ZINC001140348423 991623203 /nfs/dbraw/zinc/62/32/03/991623203.db2.gz VPCHTRLJOZQMTQ-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP C[C@]1(F)CC[N@@H+](CCCC[NH3+])C[C@H]1F ZINC001206743546 991634456 /nfs/dbraw/zinc/63/44/56/991634456.db2.gz ACFHSVQOGBANOW-ZJUUUORDSA-N 2 1 206.280 1.497 20 0 BDADMP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)[nH]n1 ZINC001318340903 991648853 /nfs/dbraw/zinc/64/88/53/991648853.db2.gz GJSJTMNMPARWQI-JTQLQIEISA-N 2 1 247.346 1.649 20 0 BDADMP FC(F)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001561047439 991701139 /nfs/dbraw/zinc/70/11/39/991701139.db2.gz OYJKLBSQRUOVEV-LLVKDONJSA-N 2 1 248.317 1.485 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001258766789 991728068 /nfs/dbraw/zinc/72/80/68/991728068.db2.gz AILQLYDHSJIQNY-QWHCGFSZSA-N 2 1 244.354 1.577 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC001258771413 991730810 /nfs/dbraw/zinc/73/08/10/991730810.db2.gz AEKVDOPVPRLULX-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[NH+]1CCC([N@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC001258771413 991730819 /nfs/dbraw/zinc/73/08/19/991730819.db2.gz AEKVDOPVPRLULX-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC001258772550 991736105 /nfs/dbraw/zinc/73/61/05/991736105.db2.gz SPQACOFPGACSSK-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001258775140 991741886 /nfs/dbraw/zinc/74/18/86/991741886.db2.gz BKPQTSGRRYLFEH-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2CCO[C@@H](CN(C)C)C2)C1 ZINC001258820169 991842646 /nfs/dbraw/zinc/84/26/46/991842646.db2.gz VLZJVBJMPLXVAD-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CCC[C@H](N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC001258820169 991842655 /nfs/dbraw/zinc/84/26/55/991842655.db2.gz VLZJVBJMPLXVAD-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001258907872 991898011 /nfs/dbraw/zinc/89/80/11/991898011.db2.gz NOZOZAINSPADEO-FRRDWIJNSA-N 2 1 246.370 1.512 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001258909366 991900474 /nfs/dbraw/zinc/90/04/74/991900474.db2.gz DIJXSAWTJPOAJJ-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CO1 ZINC001474757322 992530888 /nfs/dbraw/zinc/53/08/88/992530888.db2.gz UVJYTIDRWGXOPP-NAWOPXAZSA-N 2 1 224.348 1.094 20 0 BDADMP COC1(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC001262012189 992599334 /nfs/dbraw/zinc/59/93/34/992599334.db2.gz NYELIDKHUZHIKJ-OLZOCXBDSA-N 2 1 238.375 1.582 20 0 BDADMP COC1(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCC1 ZINC001262012189 992599342 /nfs/dbraw/zinc/59/93/42/992599342.db2.gz NYELIDKHUZHIKJ-OLZOCXBDSA-N 2 1 238.375 1.582 20 0 BDADMP COC1(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCC1 ZINC001262012189 992599350 /nfs/dbraw/zinc/59/93/50/992599350.db2.gz NYELIDKHUZHIKJ-OLZOCXBDSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)(C[NH2+][C@H]1CCC[NH2+]C1)C1(O)CCCC1 ZINC001573481768 992616283 /nfs/dbraw/zinc/61/62/83/992616283.db2.gz DKZRNIPHZXMHMA-LBPRGKRZSA-N 2 1 240.391 1.659 20 0 BDADMP CC(C)(C)OC1CC(CC[NH2+][C@H]2CC[NH2+]C2)C1 ZINC001573469011 992616519 /nfs/dbraw/zinc/61/65/19/992616519.db2.gz VUWTTXIVQSZSGR-CPCZMJQVSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C ZINC001573469115 992617050 /nfs/dbraw/zinc/61/70/50/992617050.db2.gz JIRCBKSPGATXLV-UWVGGRQHSA-N 2 1 214.353 1.517 20 0 BDADMP C[C@H]1CC[C@@H](NCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001573640350 992660851 /nfs/dbraw/zinc/66/08/51/992660851.db2.gz HPWGUUNXUOPXPS-DZGCQCFKSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H](C)O ZINC001262570183 992928332 /nfs/dbraw/zinc/92/83/32/992928332.db2.gz PMJFKNBAHYMOIJ-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)(C[NH3+])[NH2+]Cc1ccc2nonc2c1 ZINC001575317476 993009717 /nfs/dbraw/zinc/00/97/17/993009717.db2.gz CGNNEDSECBAEAX-UHFFFAOYSA-N 2 1 220.276 1.050 20 0 BDADMP CC(C)(O)CC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001575379741 993030099 /nfs/dbraw/zinc/03/00/99/993030099.db2.gz KBHCAFXVTGPUPT-CQSZACIVSA-N 2 1 240.391 1.756 20 0 BDADMP CC(C)(O)CC[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001575379787 993030531 /nfs/dbraw/zinc/03/05/31/993030531.db2.gz LFBPCPXFXXDCCM-UHFFFAOYSA-N 2 1 212.337 1.103 20 0 BDADMP CCN(CCC[NH+]1CCCC1)c1cc[nH+]c(N)n1 ZINC001262693465 993033070 /nfs/dbraw/zinc/03/30/70/993033070.db2.gz PHCAOAZDMSUYED-UHFFFAOYSA-N 2 1 249.362 1.371 20 0 BDADMP CC(C)(O)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC001575380619 993034977 /nfs/dbraw/zinc/03/49/77/993034977.db2.gz XTSMRTQYUAZTDA-GFCCVEGCSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001575421753 993039856 /nfs/dbraw/zinc/03/98/56/993039856.db2.gz CNXISJXQUOFPAE-KGLIPLIRSA-N 3 1 239.407 1.149 20 0 BDADMP CCC(C)(C)[NH+]1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001262701017 993041181 /nfs/dbraw/zinc/04/11/81/993041181.db2.gz ZEHONHHMFLPJIZ-UHFFFAOYSA-N 2 1 249.362 1.369 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC[C@@H]1CCO1 ZINC001575453934 993048150 /nfs/dbraw/zinc/04/81/50/993048150.db2.gz XPHKLHDWOYFACY-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001575473360 993051614 /nfs/dbraw/zinc/05/16/14/993051614.db2.gz UMNQUFIBOONIPI-TZMCWYRMSA-N 2 1 242.407 1.700 20 0 BDADMP CC(C)[N@H+]1CCCC[C@H]1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001575699757 993099694 /nfs/dbraw/zinc/09/96/94/993099694.db2.gz KRAZUAGIKWJWQF-IHRRRGAJSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001576065705 993169105 /nfs/dbraw/zinc/16/91/05/993169105.db2.gz HGSMYUPQBCBTNU-BNOWGMLFSA-N 2 1 246.358 1.282 20 0 BDADMP C[C@H]([NH2+]C(C)(C)C[NH3+])[C@H]1CCCOC1 ZINC001576234239 993222733 /nfs/dbraw/zinc/22/27/33/993222733.db2.gz URQRQSQYGLDURL-UWVGGRQHSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@@H](C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)C[C@H](C)O ZINC001576272200 993249442 /nfs/dbraw/zinc/24/94/42/993249442.db2.gz JTWLDPXXIJJKHW-VGMNWLOBSA-N 2 1 242.285 1.263 20 0 BDADMP COC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000379896833 993290130 /nfs/dbraw/zinc/29/01/30/993290130.db2.gz HLSTZYHLUCWFLI-SNVBAGLBSA-N 2 1 240.347 1.154 20 0 BDADMP CC1(C)CCN(C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)[NH2+]1 ZINC001576440680 993306805 /nfs/dbraw/zinc/30/68/05/993306805.db2.gz QEVFHGVXKGIUSR-TXEJJXNPSA-N 2 1 239.407 1.576 20 0 BDADMP CC1(C)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)N1 ZINC001576440680 993306792 /nfs/dbraw/zinc/30/67/92/993306792.db2.gz QEVFHGVXKGIUSR-TXEJJXNPSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H](C[NH3+])C2)CCCCO1 ZINC001576502955 993324633 /nfs/dbraw/zinc/32/46/33/993324633.db2.gz JMIVDHGUFHEDGQ-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CC[C@H]2C2CC2)C[NH2+]CCO1 ZINC001576519437 993330751 /nfs/dbraw/zinc/33/07/51/993330751.db2.gz OZBBPCAVLMGWMX-YNEHKIRRSA-N 2 1 224.348 1.143 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](CC2=NOCC2)C[C@H]1C[NH3+] ZINC001576595470 993361612 /nfs/dbraw/zinc/36/16/12/993361612.db2.gz IAKBJMJXIOGXAO-OUAUKWLOSA-N 2 1 225.336 1.068 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC2=NOCC2)C[C@H]1C[NH3+] ZINC001576595470 993361617 /nfs/dbraw/zinc/36/16/17/993361617.db2.gz IAKBJMJXIOGXAO-OUAUKWLOSA-N 2 1 225.336 1.068 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@H](O)C2)CC[NH2+]1 ZINC001576598591 993362877 /nfs/dbraw/zinc/36/28/77/993362877.db2.gz MTKBFSSVMPKPAS-UMSGYPCISA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[C@H](N[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1C ZINC001576622186 993374049 /nfs/dbraw/zinc/37/40/49/993374049.db2.gz AVFAORAMTVDTIH-SYQHCUMBSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1CCC(=O)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001576637059 993378616 /nfs/dbraw/zinc/37/86/16/993378616.db2.gz OZWFAFVPQRQHDW-LLVKDONJSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@@H]1CCC(=O)C[N@H+]1CCC1CC[NH2+]CC1 ZINC001576637059 993378622 /nfs/dbraw/zinc/37/86/22/993378622.db2.gz OZWFAFVPQRQHDW-LLVKDONJSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)C[NH2+]1 ZINC001576667632 993379906 /nfs/dbraw/zinc/37/99/06/993379906.db2.gz VHRAZXCGHQDILE-NAWOPXAZSA-N 2 1 208.349 1.905 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)C2CC2)[C@@H]1C ZINC001576652537 993384947 /nfs/dbraw/zinc/38/49/47/993384947.db2.gz WZLVRSPBRRQKTR-WFFHOREQSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)C2CC2)[C@@H]1C ZINC001576652537 993384950 /nfs/dbraw/zinc/38/49/50/993384950.db2.gz WZLVRSPBRRQKTR-WFFHOREQSA-N 2 1 226.364 1.205 20 0 BDADMP COC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C1CC1 ZINC000381312219 993384998 /nfs/dbraw/zinc/38/49/98/993384998.db2.gz LVVLQZIAFGXVNQ-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C[NH2+]1 ZINC001576665881 993385434 /nfs/dbraw/zinc/38/54/34/993385434.db2.gz HUBWMKWISOSCRF-PEBLQZBPSA-N 2 1 237.391 1.057 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000381367983 993388945 /nfs/dbraw/zinc/38/89/45/993388945.db2.gz HKRALZFNNIUCPQ-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]1CCC[N@@H+]1CCNCc1cccc(C[NH3+])c1 ZINC001576712947 993401044 /nfs/dbraw/zinc/40/10/44/993401044.db2.gz CNIYNJBITWGJLM-ZDUSSCGKSA-N 2 1 247.386 1.719 20 0 BDADMP C[C@H]1CCC[N@H+]1CCNCc1cccc(C[NH3+])c1 ZINC001576712947 993401048 /nfs/dbraw/zinc/40/10/48/993401048.db2.gz CNIYNJBITWGJLM-ZDUSSCGKSA-N 2 1 247.386 1.719 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]12CCOC2 ZINC000381506763 993401847 /nfs/dbraw/zinc/40/18/47/993401847.db2.gz FFHZWNPUHNWXIG-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001576731625 993407529 /nfs/dbraw/zinc/40/75/29/993407529.db2.gz MNNNUTINCUKIEC-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001576731625 993407532 /nfs/dbraw/zinc/40/75/32/993407532.db2.gz MNNNUTINCUKIEC-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C[C@H]1C[NH3+] ZINC001576731683 993407668 /nfs/dbraw/zinc/40/76/68/993407668.db2.gz MVSLRVJEHNTKJU-TUAOUCFPSA-N 2 1 242.363 1.055 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H]1CO ZINC001576732468 993410035 /nfs/dbraw/zinc/41/00/35/993410035.db2.gz VBDSLAOWKLIAFQ-YVECIDJPSA-N 2 1 226.364 1.064 20 0 BDADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576731936 993410476 /nfs/dbraw/zinc/41/04/76/993410476.db2.gz PQKBGCBNAZNZOI-PEBLQZBPSA-N 2 1 240.391 1.323 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@@H]1C[NH3+] ZINC001576734691 993412834 /nfs/dbraw/zinc/41/28/34/993412834.db2.gz IMWREGDFBSVYRY-JQWIXIFHSA-N 2 1 235.331 1.204 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC001576748033 993413121 /nfs/dbraw/zinc/41/31/21/993413121.db2.gz GOQHFKRZSXXNSJ-BREBYQMCSA-N 2 1 235.331 1.263 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H]1CCC[N@H+]1C ZINC001576750090 993414223 /nfs/dbraw/zinc/41/42/23/993414223.db2.gz VGOAHIBOAQYHEQ-LPWJVIDDSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799781 993423417 /nfs/dbraw/zinc/42/34/17/993423417.db2.gz CNZPXQFCLVDGIT-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1C[N@@H+](CC23CC(C)(C2)OC3)CC[C@H]1[NH3+] ZINC001576801686 993428521 /nfs/dbraw/zinc/42/85/21/993428521.db2.gz SWVNYJYLQZXZOL-ZFDZMSFRSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC001576860782 993439103 /nfs/dbraw/zinc/43/91/03/993439103.db2.gz LTTOOGMZZDEVGD-OPRDCNLKSA-N 2 1 214.378 1.326 20 0 BDADMP C[C@@H]1Cc2cc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2O1 ZINC001576861747 993439125 /nfs/dbraw/zinc/43/91/25/993439125.db2.gz GLHLYXCTBWYMPJ-JWFUOXDNSA-N 2 1 244.338 1.317 20 0 BDADMP C[C@@H]1Cc2n[nH]cc2C[N@H+](CCC2C[NH2+]C2)C1 ZINC001576861352 993439922 /nfs/dbraw/zinc/43/99/22/993439922.db2.gz CRXZZYRNBDATKC-SNVBAGLBSA-N 2 1 234.347 1.013 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577093064 993501700 /nfs/dbraw/zinc/50/17/00/993501700.db2.gz NYUKWCWQGJPJLQ-YUMQZZPRSA-N 2 1 228.258 1.281 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(C)C[NH2+]CCO1)C1CC1 ZINC001577175841 993532296 /nfs/dbraw/zinc/53/22/96/993532296.db2.gz JRUKRYAAGNIKEF-NEPJUHHUSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)[C@H]1C ZINC001577263657 993573605 /nfs/dbraw/zinc/57/36/05/993573605.db2.gz UHOPAEKCMRLELB-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[C@]1(C)CCC[N@@H+](C[C@H](O)C[NH2+]C)C1 ZINC001577371654 993626121 /nfs/dbraw/zinc/62/61/21/993626121.db2.gz GCBUIPSIXSGSBR-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC([NH2+]CC)CC1 ZINC001577370092 993630895 /nfs/dbraw/zinc/63/08/95/993630895.db2.gz XHTDGCOBCOSKPQ-GFCCVEGCSA-N 2 1 214.353 1.221 20 0 BDADMP CCCCC[N@@H+](CCO)CC1(C[NH3+])CCC1 ZINC001577435325 993663998 /nfs/dbraw/zinc/66/39/98/993663998.db2.gz XQEMSMFBLRDWJC-UHFFFAOYSA-N 2 1 228.380 1.600 20 0 BDADMP CCCC[N@@H+]1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001577458043 993669010 /nfs/dbraw/zinc/66/90/10/993669010.db2.gz QBYIERUOFIJBIQ-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[N@H+]1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001577458043 993669013 /nfs/dbraw/zinc/66/90/13/993669013.db2.gz QBYIERUOFIJBIQ-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001332334611 993675696 /nfs/dbraw/zinc/67/56/96/993675696.db2.gz NSVLULRNCGUCTH-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CC1)[C@@H]1COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001332334611 993675699 /nfs/dbraw/zinc/67/56/99/993675699.db2.gz NSVLULRNCGUCTH-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC001577510326 993676239 /nfs/dbraw/zinc/67/62/39/993676239.db2.gz KFTDRRVJXOJXFQ-VXGBXAGGSA-N 2 1 243.395 1.079 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC001577510308 993677508 /nfs/dbraw/zinc/67/75/08/993677508.db2.gz JLZVARVCTXBGLQ-NSHDSACASA-N 2 1 243.395 1.208 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]23CCOC3)C[NH2+]1 ZINC000390122610 993774825 /nfs/dbraw/zinc/77/48/25/993774825.db2.gz GMVCEDPPBGLHMI-UPJWGTAASA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]23CCOC3)C[NH2+]1 ZINC000390122610 993774834 /nfs/dbraw/zinc/77/48/34/993774834.db2.gz GMVCEDPPBGLHMI-UPJWGTAASA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CC[NH2+]1 ZINC000700795148 993852039 /nfs/dbraw/zinc/85/20/39/993852039.db2.gz XQAOFESDTJJBEX-BXKDBHETSA-N 2 1 223.295 1.451 20 0 BDADMP CCOC1CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000701145227 993871174 /nfs/dbraw/zinc/87/11/74/993871174.db2.gz YIZKUVKPTPSPSG-OTTFEQOBSA-N 2 1 226.364 1.757 20 0 BDADMP CCOC1CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000701145227 993871170 /nfs/dbraw/zinc/87/11/70/993871170.db2.gz YIZKUVKPTPSPSG-OTTFEQOBSA-N 2 1 226.364 1.757 20 0 BDADMP CCCO[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000701726428 993905998 /nfs/dbraw/zinc/90/59/98/993905998.db2.gz LQGGMLKGYAXNKJ-PIGZVRMJSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1C[N@@H+](CC2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000724416766 994067113 /nfs/dbraw/zinc/06/71/13/994067113.db2.gz FSUDNMPIUBBNSO-FMCLSXCISA-N 2 1 240.391 1.717 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000257936204 349497692 /nfs/dbraw/zinc/49/76/92/349497692.db2.gz HOQFISCEPWQIDC-BDAKNGLRSA-N 2 1 224.308 1.035 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000228160715 178003981 /nfs/dbraw/zinc/00/39/81/178003981.db2.gz FPRGLZOMXAWOSN-UWVGGRQHSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000228160715 178003983 /nfs/dbraw/zinc/00/39/83/178003983.db2.gz FPRGLZOMXAWOSN-UWVGGRQHSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)n(C)n1 ZINC000336647884 178024038 /nfs/dbraw/zinc/02/40/38/178024038.db2.gz CHBKCUSSIRYZKT-JTQLQIEISA-N 2 1 224.352 1.016 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000336233837 178039879 /nfs/dbraw/zinc/03/98/79/178039879.db2.gz QAEHDWMTWQCKGU-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000336233837 178039881 /nfs/dbraw/zinc/03/98/81/178039881.db2.gz QAEHDWMTWQCKGU-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cnn(C)c1 ZINC000044532720 398178233 /nfs/dbraw/zinc/17/82/33/398178233.db2.gz HXUBFJVZKLIKJE-VXGBXAGGSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000044532720 398178238 /nfs/dbraw/zinc/17/82/38/398178238.db2.gz HXUBFJVZKLIKJE-VXGBXAGGSA-N 2 1 236.363 1.413 20 0 BDADMP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)cc[nH+]1 ZINC000336664911 398179123 /nfs/dbraw/zinc/17/91/23/398179123.db2.gz LCZPTIHAFVURAF-LBPRGKRZSA-N 2 1 221.348 1.953 20 0 BDADMP CC[N@H+]1CCCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000161889244 349513537 /nfs/dbraw/zinc/51/35/37/349513537.db2.gz HKBMXKFMNQTKQR-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161889244 349513539 /nfs/dbraw/zinc/51/35/39/349513539.db2.gz HKBMXKFMNQTKQR-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161889244 349513541 /nfs/dbraw/zinc/51/35/41/349513541.db2.gz HKBMXKFMNQTKQR-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CCOC[C@@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] ZINC000313297515 398189914 /nfs/dbraw/zinc/18/99/14/398189914.db2.gz QYKQCVXANHBEOS-NSHDSACASA-N 2 1 214.353 1.615 20 0 BDADMP CCOC[C@@H]1CCCC[N@H+]1CC(C)(C)[NH3+] ZINC000313297515 398189918 /nfs/dbraw/zinc/18/99/18/398189918.db2.gz QYKQCVXANHBEOS-NSHDSACASA-N 2 1 214.353 1.615 20 0 BDADMP Cc1cc(N(C)CC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000264254502 178095997 /nfs/dbraw/zinc/09/59/97/178095997.db2.gz YKKGXPQBAABAOS-UHFFFAOYSA-N 2 1 248.374 1.871 20 0 BDADMP Cc1cc(N2CC[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC000235855368 178118911 /nfs/dbraw/zinc/11/89/11/178118911.db2.gz SFYFDVGVXCSKQZ-GFCCVEGCSA-N 2 1 220.320 1.269 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1F ZINC000258685839 349516966 /nfs/dbraw/zinc/51/69/66/349516966.db2.gz FGRWCLVQPZUQMW-MRVPVSSYSA-N 2 1 214.259 1.649 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647803944 398214539 /nfs/dbraw/zinc/21/45/39/398214539.db2.gz FFNXGAKCXVFJCS-VEGXAWMVSA-N 2 1 208.349 1.763 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCCC1 ZINC000380986102 398216331 /nfs/dbraw/zinc/21/63/31/398216331.db2.gz DDSZMLCCGCIUEA-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CCCC1 ZINC000380986102 398216334 /nfs/dbraw/zinc/21/63/34/398216334.db2.gz DDSZMLCCGCIUEA-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCCC1 ZINC000380986102 398216337 /nfs/dbraw/zinc/21/63/37/398216337.db2.gz DDSZMLCCGCIUEA-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000430563836 398228096 /nfs/dbraw/zinc/22/80/96/398228096.db2.gz XGADEYKNOUBQSG-AWEZNQCLSA-N 2 1 247.342 1.003 20 0 BDADMP C[C@H](CNC(=O)CCC[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430766221 398231930 /nfs/dbraw/zinc/23/19/30/398231930.db2.gz WMPMCXXZNBIQAR-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H](CNC(=O)CCC[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430765998 398232317 /nfs/dbraw/zinc/23/23/17/398232317.db2.gz WMPMCXXZNBIQAR-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](C)CO)CC1 ZINC000678045532 488175603 /nfs/dbraw/zinc/17/56/03/488175603.db2.gz MXQJKISIFQJYLJ-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000390816894 398250643 /nfs/dbraw/zinc/25/06/43/398250643.db2.gz MYTXWSOALJDKHS-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000390816894 398250646 /nfs/dbraw/zinc/25/06/46/398250646.db2.gz MYTXWSOALJDKHS-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000381609178 398266930 /nfs/dbraw/zinc/26/69/30/398266930.db2.gz RJZKPHYSXXMWKF-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000251323926 398269157 /nfs/dbraw/zinc/26/91/57/398269157.db2.gz OLYAJENJVRUXJK-NWDGAFQWSA-N 2 1 212.337 1.084 20 0 BDADMP CCCC(CCC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000165304928 361837577 /nfs/dbraw/zinc/83/75/77/361837577.db2.gz NFMJGZKFYLKGQO-LBPRGKRZSA-N 2 1 216.369 1.467 20 0 BDADMP COC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000561983878 323010096 /nfs/dbraw/zinc/01/00/96/323010096.db2.gz ZALUNDCYIVDFES-JHJVBQTASA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000561983878 323010097 /nfs/dbraw/zinc/01/00/97/323010097.db2.gz ZALUNDCYIVDFES-JHJVBQTASA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000561983878 323010098 /nfs/dbraw/zinc/01/00/98/323010098.db2.gz ZALUNDCYIVDFES-JHJVBQTASA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000561983878 323010099 /nfs/dbraw/zinc/01/00/99/323010099.db2.gz ZALUNDCYIVDFES-JHJVBQTASA-N 2 1 228.380 1.541 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000348749053 136238062 /nfs/dbraw/zinc/23/80/62/136238062.db2.gz MTNXBPOVJRUMLX-ZDUSSCGKSA-N 2 1 236.363 1.123 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000348749053 136238063 /nfs/dbraw/zinc/23/80/63/136238063.db2.gz MTNXBPOVJRUMLX-ZDUSSCGKSA-N 3 1 236.363 1.123 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000348749053 136238064 /nfs/dbraw/zinc/23/80/64/136238064.db2.gz MTNXBPOVJRUMLX-ZDUSSCGKSA-N 3 1 236.363 1.123 20 0 BDADMP CCc1nn(C)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392261080 539028070 /nfs/dbraw/zinc/02/80/70/539028070.db2.gz DEWMUAIBLNLTCX-UHFFFAOYSA-N 2 1 248.374 1.334 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000392271924 398316898 /nfs/dbraw/zinc/31/68/98/398316898.db2.gz VDOMDHGBYBTKDO-ZYHUDNBSSA-N 2 1 226.389 1.732 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCOC1 ZINC000119658647 398327892 /nfs/dbraw/zinc/32/78/92/398327892.db2.gz BDNVCJQHOBEWSC-RYUDHWBXSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CCn3cccn3)C2)CC1 ZINC000639756554 398326245 /nfs/dbraw/zinc/32/62/45/398326245.db2.gz WVJFBMRPIMCLCE-UHFFFAOYSA-N 2 1 248.374 1.301 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC12CCOCC2 ZINC000580541143 365689491 /nfs/dbraw/zinc/68/94/91/365689491.db2.gz CGAZCKJMSJJIFF-CHWSQXEVSA-N 2 1 240.391 1.909 20 0 BDADMP CCCC[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000037482547 342937669 /nfs/dbraw/zinc/93/76/69/342937669.db2.gz FZYSJAVUJFLVJL-UHFFFAOYSA-N 2 1 213.369 1.014 20 0 BDADMP COCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918020 398335292 /nfs/dbraw/zinc/33/52/92/398335292.db2.gz IINWDMPZYBKYRN-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP COCC1(C[NH2+]CC2=CC[N@@H+](C)CC2)CCC1 ZINC000392850195 398335674 /nfs/dbraw/zinc/33/56/74/398335674.db2.gz IDCBJWYPXHTZOO-UHFFFAOYSA-N 2 1 238.375 1.655 20 0 BDADMP CC[C@H](C)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313347219 259333568 /nfs/dbraw/zinc/33/35/68/259333568.db2.gz KBKBQKPNLVPRLT-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@H](C)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313347219 259333570 /nfs/dbraw/zinc/33/35/70/259333570.db2.gz KBKBQKPNLVPRLT-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000602718324 349686929 /nfs/dbraw/zinc/68/69/29/349686929.db2.gz VPZIVCVTHGFNGK-BJDJZHNGSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000602718324 349686932 /nfs/dbraw/zinc/68/69/32/349686932.db2.gz VPZIVCVTHGFNGK-BJDJZHNGSA-N 2 1 240.347 1.010 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCCO1 ZINC000313342640 259333585 /nfs/dbraw/zinc/33/35/85/259333585.db2.gz GXKNFJRSEDNGDU-SGJXGLNRSA-N 2 1 246.354 1.749 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCCO1 ZINC000313342640 259333586 /nfs/dbraw/zinc/33/35/86/259333586.db2.gz GXKNFJRSEDNGDU-SGJXGLNRSA-N 2 1 246.354 1.749 20 0 BDADMP CC(C)(C)CCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313355434 259333662 /nfs/dbraw/zinc/33/36/62/259333662.db2.gz PNMWHGDZXFCBQM-GFCCVEGCSA-N 2 1 228.380 1.862 20 0 BDADMP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000647336112 488192605 /nfs/dbraw/zinc/19/26/05/488192605.db2.gz MPDGYYHVIGYHAJ-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000336501684 346906836 /nfs/dbraw/zinc/90/68/36/346906836.db2.gz GVASBMAKWGQIKB-NEPJUHHUSA-N 2 1 214.328 1.951 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503689 346904261 /nfs/dbraw/zinc/90/42/61/346904261.db2.gz MJCVXOHSJFQLFZ-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309239532 259342028 /nfs/dbraw/zinc/34/20/28/259342028.db2.gz WHHHQSKQMZOMKZ-VXGBXAGGSA-N 3 1 222.336 1.051 20 0 BDADMP Cc1cnc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])s1 ZINC000235927634 343067407 /nfs/dbraw/zinc/06/74/07/343067407.db2.gz WHVSWMFBOAZBGT-UWVGGRQHSA-N 2 1 225.361 1.669 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000569684654 323036902 /nfs/dbraw/zinc/03/69/02/323036902.db2.gz TZNAUJAKMPUAEJ-JTQLQIEISA-N 2 1 224.352 1.379 20 0 BDADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H](C)COC ZINC000310010812 343145947 /nfs/dbraw/zinc/14/59/47/343145947.db2.gz IODCGGZBWJKYOA-QWHCGFSZSA-N 2 1 230.396 1.979 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H](C)COC ZINC000310010812 343145950 /nfs/dbraw/zinc/14/59/50/343145950.db2.gz IODCGGZBWJKYOA-QWHCGFSZSA-N 2 1 230.396 1.979 20 0 BDADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000309976936 343124254 /nfs/dbraw/zinc/12/42/54/343124254.db2.gz UCESTZQMBBOTJC-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000309976936 343124257 /nfs/dbraw/zinc/12/42/57/343124257.db2.gz UCESTZQMBBOTJC-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000093214230 343151211 /nfs/dbraw/zinc/15/12/11/343151211.db2.gz NYXRRGMRAVJIGN-YPMHNXCESA-N 2 1 237.391 1.473 20 0 BDADMP CCn1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000094024704 343152373 /nfs/dbraw/zinc/15/23/73/343152373.db2.gz OHYOSKKZYDFEMO-UHFFFAOYSA-N 2 1 236.363 1.334 20 0 BDADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+]C1CCOCC1 ZINC000217638057 136277879 /nfs/dbraw/zinc/27/78/79/136277879.db2.gz QROGKKHSCDFCSX-CHWSQXEVSA-N 2 1 224.348 1.382 20 0 BDADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+]C1CCOCC1 ZINC000217638057 136277880 /nfs/dbraw/zinc/27/78/80/136277880.db2.gz QROGKKHSCDFCSX-CHWSQXEVSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)O1 ZINC000634687969 343246003 /nfs/dbraw/zinc/24/60/03/343246003.db2.gz DYANPEMMQNLHTO-OBPIAQAESA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)O1 ZINC000634687969 343246004 /nfs/dbraw/zinc/24/60/04/343246004.db2.gz DYANPEMMQNLHTO-OBPIAQAESA-N 2 1 226.364 1.530 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000634688259 343246638 /nfs/dbraw/zinc/24/66/38/343246638.db2.gz NHPGFJLJHNTELA-AAEUAGOBSA-N 2 1 230.396 1.571 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000068944818 343253011 /nfs/dbraw/zinc/25/30/11/343253011.db2.gz BKNSIFCSKUUJIZ-VXGBXAGGSA-N 2 1 216.369 1.323 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000348756597 136297719 /nfs/dbraw/zinc/29/77/19/136297719.db2.gz PBWRDPRMFGFICB-RYUDHWBXSA-N 2 1 236.363 1.264 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000348756598 136297740 /nfs/dbraw/zinc/29/77/40/136297740.db2.gz PBWRDPRMFGFICB-TXEJJXNPSA-N 2 1 236.363 1.264 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000220959068 343304764 /nfs/dbraw/zinc/30/47/64/343304764.db2.gz HXYUOFYHKYPEHS-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)n1cncc1C[NH2+]CCc1c[nH+]cn1C ZINC000401794468 343362745 /nfs/dbraw/zinc/36/27/45/343362745.db2.gz YDFIVPKLUABKQO-UHFFFAOYSA-N 2 1 247.346 1.530 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)nc1 ZINC000335641617 136308575 /nfs/dbraw/zinc/30/85/75/136308575.db2.gz URDMUCJGSNOPCF-VXGBXAGGSA-N 2 1 219.332 1.620 20 0 BDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCO)C1 ZINC000177723105 346936780 /nfs/dbraw/zinc/93/67/80/346936780.db2.gz FZYNBBLUFJVSEY-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCO)C1 ZINC000177723105 346936784 /nfs/dbraw/zinc/93/67/84/346936784.db2.gz FZYNBBLUFJVSEY-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCO)C1 ZINC000177723105 346936787 /nfs/dbraw/zinc/93/67/87/346936787.db2.gz FZYNBBLUFJVSEY-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000177723105 346936789 /nfs/dbraw/zinc/93/67/89/346936789.db2.gz FZYNBBLUFJVSEY-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCO)C1 ZINC000177723118 346936843 /nfs/dbraw/zinc/93/68/43/346936843.db2.gz FZYNBBLUFJVSEY-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCO)C1 ZINC000177723118 346936846 /nfs/dbraw/zinc/93/68/46/346936846.db2.gz FZYNBBLUFJVSEY-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCO)C1 ZINC000177723118 346936848 /nfs/dbraw/zinc/93/68/48/346936848.db2.gz FZYNBBLUFJVSEY-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000177723118 346936850 /nfs/dbraw/zinc/93/68/50/346936850.db2.gz FZYNBBLUFJVSEY-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000166320039 136344784 /nfs/dbraw/zinc/34/47/84/136344784.db2.gz HDMZDYKCWPQSPH-CHWSQXEVSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H]1C[C@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349335239 136342243 /nfs/dbraw/zinc/34/22/43/136342243.db2.gz UIMYUCNJISLLNC-KBPBESRZSA-N 2 1 239.407 1.212 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247982694 136373500 /nfs/dbraw/zinc/37/35/00/136373500.db2.gz NETAXUXTSYKSQU-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000082478057 343444908 /nfs/dbraw/zinc/44/49/08/343444908.db2.gz WMTQJOOTZAZDHW-UHFFFAOYSA-N 2 1 213.369 1.010 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000083528210 343488494 /nfs/dbraw/zinc/48/84/94/343488494.db2.gz NGDSWPLDJVDPEL-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1ccc(C[C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000084011163 343513702 /nfs/dbraw/zinc/51/37/02/343513702.db2.gz WAUSXUQVEHCCKT-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccc(C[C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000084011163 343513706 /nfs/dbraw/zinc/51/37/06/343513706.db2.gz WAUSXUQVEHCCKT-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000310563682 343537586 /nfs/dbraw/zinc/53/75/86/343537586.db2.gz WPLHPBDRFVTCAR-QWHCGFSZSA-N 2 1 246.395 1.046 20 0 BDADMP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000087653177 343655775 /nfs/dbraw/zinc/65/57/75/343655775.db2.gz IJANDZNGRVQPEP-UHFFFAOYSA-N 2 1 204.317 1.917 20 0 BDADMP CC1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000231787472 343701553 /nfs/dbraw/zinc/70/15/53/343701553.db2.gz IIDBZPOJRKGASJ-CXQJBGSLSA-N 2 1 208.349 1.859 20 0 BDADMP c1nc2c([nH]1)C[N@@H+]([C@@H]1C=CCCC1)CC2 ZINC000625436230 343733795 /nfs/dbraw/zinc/73/37/95/343733795.db2.gz DHGFAHJFURQXGT-SNVBAGLBSA-N 2 1 203.289 1.877 20 0 BDADMP c1nc2c([nH]1)CN([C@@H]1C=CCCC1)CC2 ZINC000625436230 343733796 /nfs/dbraw/zinc/73/37/96/343733796.db2.gz DHGFAHJFURQXGT-SNVBAGLBSA-N 2 1 203.289 1.877 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)C ZINC000309100239 346967865 /nfs/dbraw/zinc/96/78/65/346967865.db2.gz GKLRPXWGZRMRKM-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000309100239 346967869 /nfs/dbraw/zinc/96/78/69/346967869.db2.gz GKLRPXWGZRMRKM-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262753984 349863970 /nfs/dbraw/zinc/86/39/70/349863970.db2.gz OEAUQWQCVKNWER-RYUDHWBXSA-N 2 1 241.379 1.055 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)C ZINC000393733531 343922045 /nfs/dbraw/zinc/92/20/45/343922045.db2.gz LWXQKNVXHLSJFA-NEPJUHHUSA-N 2 1 216.369 1.275 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)C ZINC000393733531 343922049 /nfs/dbraw/zinc/92/20/49/343922049.db2.gz LWXQKNVXHLSJFA-NEPJUHHUSA-N 2 1 216.369 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C(C)C ZINC000393733531 343922053 /nfs/dbraw/zinc/92/20/53/343922053.db2.gz LWXQKNVXHLSJFA-NEPJUHHUSA-N 2 1 216.369 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C(C)C ZINC000393733531 343922055 /nfs/dbraw/zinc/92/20/55/343922055.db2.gz LWXQKNVXHLSJFA-NEPJUHHUSA-N 2 1 216.369 1.275 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)C ZINC000393733539 343922726 /nfs/dbraw/zinc/92/27/26/343922726.db2.gz LWXQKNVXHLSJFA-VXGBXAGGSA-N 2 1 216.369 1.275 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)C ZINC000393733539 343922729 /nfs/dbraw/zinc/92/27/29/343922729.db2.gz LWXQKNVXHLSJFA-VXGBXAGGSA-N 2 1 216.369 1.275 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C(C)C ZINC000393733539 343922730 /nfs/dbraw/zinc/92/27/30/343922730.db2.gz LWXQKNVXHLSJFA-VXGBXAGGSA-N 2 1 216.369 1.275 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)C ZINC000393733539 343922733 /nfs/dbraw/zinc/92/27/33/343922733.db2.gz LWXQKNVXHLSJFA-VXGBXAGGSA-N 2 1 216.369 1.275 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000634732763 344107461 /nfs/dbraw/zinc/10/74/61/344107461.db2.gz OHMRNOFZLNSXAX-STQMWFEESA-N 2 1 239.407 1.354 20 0 BDADMP CC(C)[C@@H](C[NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733535 344113866 /nfs/dbraw/zinc/11/38/66/344113866.db2.gz HMUPIXVRVMAEJG-STQMWFEESA-N 2 1 241.423 1.585 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC000634734138 344114587 /nfs/dbraw/zinc/11/45/87/344114587.db2.gz XXOKYEHPVJMEEP-JSGCOSHPSA-N 3 1 239.407 1.354 20 0 BDADMP CC[C@@H]([NH2+]Cc1c[nH]cn1)[C@@H]1CCCO1 ZINC000126313055 344175394 /nfs/dbraw/zinc/17/53/94/344175394.db2.gz GZCDWVNGNZDNNI-MNOVXSKESA-N 2 1 209.293 1.457 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000570737118 323068942 /nfs/dbraw/zinc/06/89/42/323068942.db2.gz RFJULMHJLOHSNZ-FZMZJTMJSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]([C@@H](C)C1CC1)C1CC1 ZINC000570737118 323068943 /nfs/dbraw/zinc/06/89/43/323068943.db2.gz RFJULMHJLOHSNZ-FZMZJTMJSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]([C@@H](C)C1CC1)C1CC1 ZINC000570737118 323068944 /nfs/dbraw/zinc/06/89/44/323068944.db2.gz RFJULMHJLOHSNZ-FZMZJTMJSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000570737118 323068945 /nfs/dbraw/zinc/06/89/45/323068945.db2.gz RFJULMHJLOHSNZ-FZMZJTMJSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000570737118 323068946 /nfs/dbraw/zinc/06/89/46/323068946.db2.gz RFJULMHJLOHSNZ-FZMZJTMJSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000132131873 344279690 /nfs/dbraw/zinc/27/96/90/344279690.db2.gz PFZHDVRYURFJLX-STQMWFEESA-N 2 1 241.423 1.504 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000132131873 344279691 /nfs/dbraw/zinc/27/96/91/344279691.db2.gz PFZHDVRYURFJLX-STQMWFEESA-N 3 1 241.423 1.504 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000132131873 344279693 /nfs/dbraw/zinc/27/96/93/344279693.db2.gz PFZHDVRYURFJLX-STQMWFEESA-N 3 1 241.423 1.504 20 0 BDADMP CSC[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000400115930 344320813 /nfs/dbraw/zinc/32/08/13/344320813.db2.gz JOSINHBWJIQZGV-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000400115936 344320869 /nfs/dbraw/zinc/32/08/69/344320869.db2.gz JOSINHBWJIQZGV-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000600709271 344360738 /nfs/dbraw/zinc/36/07/38/344360738.db2.gz IBDBCZHFLRJOPW-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000600712504 344361727 /nfs/dbraw/zinc/36/17/27/344361727.db2.gz XSYCTHCLANPDNO-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP COC[C@H](C)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000584274224 344374515 /nfs/dbraw/zinc/37/45/15/344374515.db2.gz BLWZZDBIFYQCFU-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1nc(N[C@H]2CC[NH2+][C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000634808549 344393291 /nfs/dbraw/zinc/39/32/91/344393291.db2.gz WLPTVYMOAOPNPN-UFBFGSQYSA-N 2 1 234.347 1.954 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000238332858 344402934 /nfs/dbraw/zinc/40/29/34/344402934.db2.gz QACKATOMSYYYRZ-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000238332858 344402936 /nfs/dbraw/zinc/40/29/36/344402936.db2.gz QACKATOMSYYYRZ-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP OCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835927 344792577 /nfs/dbraw/zinc/79/25/77/344792577.db2.gz XVZWJOMOWVDSCF-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC2CCC2)C1 ZINC000639761118 537865551 /nfs/dbraw/zinc/86/55/51/537865551.db2.gz DGWWWZMPYDSTGW-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccoc1 ZINC000579221110 344943634 /nfs/dbraw/zinc/94/36/34/344943634.db2.gz AHHFTTDSPBSBSN-SCVCMEIPSA-N 2 1 208.305 1.928 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CCOC[C@@H]1C1CC1 ZINC000154374337 345031379 /nfs/dbraw/zinc/03/13/79/345031379.db2.gz LVOPHOAITFOBBI-UONOGXRCSA-N 2 1 238.375 1.582 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000156493076 345168292 /nfs/dbraw/zinc/16/82/92/345168292.db2.gz GVZWNOODMPOWFX-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[N@@H+](CCNCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000634995346 345184433 /nfs/dbraw/zinc/18/44/33/345184433.db2.gz BFRIEANMHAHFKU-UHFFFAOYSA-N 2 1 237.391 1.202 20 0 BDADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996918 345186741 /nfs/dbraw/zinc/18/67/41/345186741.db2.gz YVVDDIBVJOKEDA-CUMGRINNSA-N 2 1 243.354 1.598 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000167195417 345134592 /nfs/dbraw/zinc/13/45/92/345134592.db2.gz VYOOXXRYUNZGFK-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000167195300 345134599 /nfs/dbraw/zinc/13/45/99/345134599.db2.gz VYOOXXRYUNZGFK-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996278 345187762 /nfs/dbraw/zinc/18/77/62/345187762.db2.gz FJWFTTJRYYERMS-AKJUYKBHSA-N 2 1 236.359 1.097 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634996278 345187763 /nfs/dbraw/zinc/18/77/63/345187763.db2.gz FJWFTTJRYYERMS-AKJUYKBHSA-N 2 1 236.359 1.097 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634993063 345188896 /nfs/dbraw/zinc/18/88/96/345188896.db2.gz KKWNVYIQPDYWNS-IYXRBSQSSA-N 2 1 237.391 1.012 20 0 BDADMP C([N@H+]1[C@H]2CC[C@@H]1CCC2)C12CC(C1)C[NH2+]2 ZINC000634994142 345192838 /nfs/dbraw/zinc/19/28/38/345192838.db2.gz SDTFJXYCJUGXGG-UNTZMWQOSA-N 2 1 206.333 1.755 20 0 BDADMP N[C@H]1CCCCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000634997241 345194581 /nfs/dbraw/zinc/19/45/81/345194581.db2.gz HCSCIENYFDUTFC-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@H]1C[NH3+] ZINC000634999341 345198968 /nfs/dbraw/zinc/19/89/68/345198968.db2.gz SQCAAKQCKAKLPN-SMDDNHRTSA-N 2 1 245.370 1.681 20 0 BDADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)s1 ZINC000635007390 345203601 /nfs/dbraw/zinc/20/36/01/345203601.db2.gz PSUREWVHXQOOEC-YUMQZZPRSA-N 2 1 225.361 1.710 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1c[nH+]ccc1N ZINC000635005461 345209066 /nfs/dbraw/zinc/20/90/66/345209066.db2.gz NQCLSHMAQDKQTI-PRFIWBCESA-N 2 1 235.331 1.711 20 0 BDADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000635007634 345214867 /nfs/dbraw/zinc/21/48/67/345214867.db2.gz FQABSGNVHYFMRL-FOSCPWQOSA-N 2 1 220.316 1.961 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)Cc2ccno2)[C@H](C)C1 ZINC000081095946 345465196 /nfs/dbraw/zinc/46/51/96/345465196.db2.gz IHWSDQMJMXTUNR-YPMHNXCESA-N 2 1 237.347 1.837 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCO)[C@H](C)C1 ZINC000081096920 345465292 /nfs/dbraw/zinc/46/52/92/345465292.db2.gz MBOCNAUSLMOGIJ-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221675539 323090821 /nfs/dbraw/zinc/09/08/21/323090821.db2.gz PSPOBDYMHQGCPN-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091334577 345591276 /nfs/dbraw/zinc/59/12/76/345591276.db2.gz MKCJKCOLYNMPFS-HUUCEWRRSA-N 2 1 248.370 1.650 20 0 BDADMP Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418991987 192091582 /nfs/dbraw/zinc/09/15/82/192091582.db2.gz FJZZYBHQENVMTH-STQMWFEESA-N 2 1 249.358 1.281 20 0 BDADMP CC[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000181123591 345928298 /nfs/dbraw/zinc/92/82/98/345928298.db2.gz JUPHVTGDGNHSMW-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[C@H](C[NH2+]CC1(C)COC1)[NH+]1CCCC1 ZINC000227519079 535017621 /nfs/dbraw/zinc/01/76/21/535017621.db2.gz MFCZXQPUYGRWNN-ZDUSSCGKSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1CC[N@@H+](CCn2ccnc2)CCS1 ZINC000192191424 346080665 /nfs/dbraw/zinc/08/06/65/346080665.db2.gz YQPUTCYPINBNDT-NSHDSACASA-N 2 1 225.361 1.711 20 0 BDADMP Cc1nc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)[nH]c1C ZINC000628240544 346202288 /nfs/dbraw/zinc/20/22/88/346202288.db2.gz JJEHKQCIBNUJSQ-NXEZZACHSA-N 2 1 236.363 1.551 20 0 BDADMP Cc1ncc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000628280760 346291988 /nfs/dbraw/zinc/29/19/88/346291988.db2.gz GMBGCDPPSISERP-GWCFXTLKSA-N 2 1 237.347 1.755 20 0 BDADMP Cc1cccc(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358158968 179036820 /nfs/dbraw/zinc/03/68/20/179036820.db2.gz IPCYCTVELHTRRS-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1cccc(C)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358158968 179036822 /nfs/dbraw/zinc/03/68/22/179036822.db2.gz IPCYCTVELHTRRS-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH+](C)C ZINC000636229278 346363121 /nfs/dbraw/zinc/36/31/21/346363121.db2.gz LVXSVAKSZJJTFA-LLVKDONJSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc[nH]c1 ZINC000641772868 362713051 /nfs/dbraw/zinc/71/30/51/362713051.db2.gz UMYCHMCHYBMGAL-CYBMUJFWSA-N 2 1 239.363 1.197 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300231968 346420484 /nfs/dbraw/zinc/42/04/84/346420484.db2.gz JIHRHXSBPQNBBY-NWDGAFQWSA-N 2 1 228.405 1.671 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000641800233 362750570 /nfs/dbraw/zinc/75/05/70/362750570.db2.gz AAUISFHFVQCAQN-LBPRGKRZSA-N 2 1 225.380 1.155 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641797613 362745154 /nfs/dbraw/zinc/74/51/54/362745154.db2.gz DLHCSSIWFIUFHZ-AAEUAGOBSA-N 2 1 236.363 1.022 20 0 BDADMP CC1(C)[C@H](N)C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000641801700 362756471 /nfs/dbraw/zinc/75/64/71/362756471.db2.gz DZAJOFAGLMLART-VXGBXAGGSA-N 2 1 225.380 1.092 20 0 BDADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)nc1 ZINC000641802115 362757442 /nfs/dbraw/zinc/75/74/42/362757442.db2.gz IDXQOXFBSRDRLB-QWHCGFSZSA-N 2 1 249.358 1.696 20 0 BDADMP Cc1cccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH+]1 ZINC000334997376 179122052 /nfs/dbraw/zinc/12/20/52/179122052.db2.gz HZKXYCQPNSNOIT-BETUJISGSA-N 2 1 231.343 1.826 20 0 BDADMP Cc1cccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC000131040067 179123317 /nfs/dbraw/zinc/12/33/17/179123317.db2.gz QLVLYBAGWLPYMM-XQQFMLRXSA-N 2 1 231.343 1.954 20 0 BDADMP Cc1cccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000278722874 179123643 /nfs/dbraw/zinc/12/36/43/179123643.db2.gz KHJPXSKZZZTVJA-TXEJJXNPSA-N 2 1 217.316 1.388 20 0 BDADMP Cc1cccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]1 ZINC000278722874 179123645 /nfs/dbraw/zinc/12/36/45/179123645.db2.gz KHJPXSKZZZTVJA-TXEJJXNPSA-N 2 1 217.316 1.388 20 0 BDADMP Cc1cccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]1 ZINC000278722874 179123647 /nfs/dbraw/zinc/12/36/47/179123647.db2.gz KHJPXSKZZZTVJA-TXEJJXNPSA-N 2 1 217.316 1.388 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC(C)(C)[NH+](C)C)[C@@H](C)C1 ZINC000345237738 365836879 /nfs/dbraw/zinc/83/68/79/365836879.db2.gz QQFMOCPIFYZJDS-QWHCGFSZSA-N 2 1 241.423 1.647 20 0 BDADMP Cc1nc(C[NH2+]CCCn2cc[nH+]c2C)[nH]c1C ZINC000580660788 365857776 /nfs/dbraw/zinc/85/77/76/365857776.db2.gz VIUXBHUWICHADX-UHFFFAOYSA-N 2 1 247.346 1.711 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250000860 133644185 /nfs/dbraw/zinc/64/41/85/133644185.db2.gz RCCOLFKNZUXYTP-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cccc(OCC[NH+]2CCC([NH3+])CC2)c1 ZINC000011729494 179166694 /nfs/dbraw/zinc/16/66/94/179166694.db2.gz XSNKROSYRCYBHA-UHFFFAOYSA-N 2 1 234.343 1.797 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@@H+]1C ZINC000378687113 346806276 /nfs/dbraw/zinc/80/62/76/346806276.db2.gz FSDPOVKUYFUQII-QCNOEVLYSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@H+]1C ZINC000378687113 346806279 /nfs/dbraw/zinc/80/62/79/346806279.db2.gz FSDPOVKUYFUQII-QCNOEVLYSA-N 2 1 214.328 1.949 20 0 BDADMP Cc1cccc(OCC[NH2+]CC2([NH3+])CCC2)c1 ZINC000342146439 179168487 /nfs/dbraw/zinc/16/84/87/179168487.db2.gz TURIYDJDOYINIJ-UHFFFAOYSA-N 2 1 234.343 1.845 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250353211 362800611 /nfs/dbraw/zinc/80/06/11/362800611.db2.gz RQPXJFHZZYVFAI-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)O1 ZINC000149790542 347520958 /nfs/dbraw/zinc/52/09/58/347520958.db2.gz LVMUFSPIZVWESH-WHOHXGKFSA-N 2 1 212.337 1.366 20 0 BDADMP CC(C)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000082485167 347620099 /nfs/dbraw/zinc/62/00/99/347620099.db2.gz PXZVVKYLBWBBRR-UHFFFAOYSA-N 2 1 227.396 1.258 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235672096 179275759 /nfs/dbraw/zinc/27/57/59/179275759.db2.gz URKCBNFTZWTUJP-AAEUAGOBSA-N 2 1 204.317 1.774 20 0 BDADMP Cc1ccccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235672096 179275761 /nfs/dbraw/zinc/27/57/61/179275761.db2.gz URKCBNFTZWTUJP-AAEUAGOBSA-N 2 1 204.317 1.774 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859816 179281694 /nfs/dbraw/zinc/28/16/94/179281694.db2.gz NVALXFOMYVRJAC-OAHLLOKOSA-N 2 1 248.370 1.541 20 0 BDADMP CC[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000082496647 347664794 /nfs/dbraw/zinc/66/47/94/347664794.db2.gz ZUPMOAVWDTVPNI-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC000308454798 347668857 /nfs/dbraw/zinc/66/88/57/347668857.db2.gz DMEYSCGJFMEGSJ-LLVKDONJSA-N 2 1 202.317 1.797 20 0 BDADMP CSCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000591567823 347670720 /nfs/dbraw/zinc/67/07/20/347670720.db2.gz QAWUPTOXVBDHNQ-QMMMGPOBSA-N 2 1 211.334 1.508 20 0 BDADMP CC[N@H+](CCSC)CCn1cc[nH+]c1C ZINC000592203943 347755960 /nfs/dbraw/zinc/75/59/60/347755960.db2.gz QCRVKUYJPCWFRM-UHFFFAOYSA-N 2 1 227.377 1.876 20 0 BDADMP CC[N@@H+](CCSC)CCn1cc[nH+]c1C ZINC000592203943 347755962 /nfs/dbraw/zinc/75/59/62/347755962.db2.gz QCRVKUYJPCWFRM-UHFFFAOYSA-N 2 1 227.377 1.876 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252978502 347825419 /nfs/dbraw/zinc/82/54/19/347825419.db2.gz CEJJQPSULBUAFI-WDEREUQCSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252978502 347825422 /nfs/dbraw/zinc/82/54/22/347825422.db2.gz CEJJQPSULBUAFI-WDEREUQCSA-N 2 1 222.336 1.072 20 0 BDADMP CC[C@H]1C[N@@H+](CCC(=O)OC(C)C)CC[C@H]1[NH3+] ZINC000592488984 347787003 /nfs/dbraw/zinc/78/70/03/347787003.db2.gz OOVPSCYXLQZYFI-NWDGAFQWSA-N 2 1 242.363 1.387 20 0 BDADMP CCOC(=O)CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471338 347790203 /nfs/dbraw/zinc/79/02/03/347790203.db2.gz WYAPOOXGFUJASA-UHFFFAOYSA-N 2 1 240.347 1.156 20 0 BDADMP CC[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000308517425 323175199 /nfs/dbraw/zinc/17/51/99/323175199.db2.gz NFUADQYAJVWGQH-UHFFFAOYSA-N 2 1 200.301 1.562 20 0 BDADMP Cc1ccccc1[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357069124 179346416 /nfs/dbraw/zinc/34/64/16/179346416.db2.gz HGLMAIYPYRZMNQ-AWEZNQCLSA-N 2 1 248.370 1.760 20 0 BDADMP Cc1cccnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228363462 179375680 /nfs/dbraw/zinc/37/56/80/179375680.db2.gz YGSOIUFDHDWJGW-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1CCSCC1 ZINC000308888375 323180858 /nfs/dbraw/zinc/18/08/58/323180858.db2.gz VCLDEHCRXSHFBB-UHFFFAOYSA-N 2 1 225.361 1.448 20 0 BDADMP CC(C)[N@@H+](C)CCCNCc1ccc(CO)o1 ZINC000230639667 187392031 /nfs/dbraw/zinc/39/20/31/187392031.db2.gz QPJPAXXJUQLCBE-UHFFFAOYSA-N 2 1 240.347 1.592 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000419288405 192117774 /nfs/dbraw/zinc/11/77/74/192117774.db2.gz PNFQDAUKDOYBKZ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OC ZINC000419288405 192117776 /nfs/dbraw/zinc/11/77/76/192117776.db2.gz PNFQDAUKDOYBKZ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)OC ZINC000419288405 192117778 /nfs/dbraw/zinc/11/77/78/192117778.db2.gz PNFQDAUKDOYBKZ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000419316541 192121245 /nfs/dbraw/zinc/12/12/45/192121245.db2.gz XAYVMLLRISSJAA-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000397400547 362884745 /nfs/dbraw/zinc/88/47/45/362884745.db2.gz QVFVXOTWPKCYRB-NQBHXWOUSA-N 2 1 236.363 1.257 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000397400550 362884917 /nfs/dbraw/zinc/88/49/17/362884917.db2.gz QVFVXOTWPKCYRB-NTZNESFSSA-N 2 1 236.363 1.257 20 0 BDADMP Cc1cc(N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)nc(C)[nH+]1 ZINC000397479423 362888237 /nfs/dbraw/zinc/88/82/37/362888237.db2.gz KWUIZTZLWLMXKG-XWIASGKRSA-N 2 1 248.374 1.903 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000194353041 187396228 /nfs/dbraw/zinc/39/62/28/187396228.db2.gz QCECMKHAGQJGNW-CYBMUJFWSA-N 2 1 248.374 1.805 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000308799830 348642944 /nfs/dbraw/zinc/64/29/44/348642944.db2.gz ADKTYLHLXNUKQC-GRYCIOLGSA-N 2 1 228.405 1.669 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H](C[NH3+])C1 ZINC000420164561 192167622 /nfs/dbraw/zinc/16/76/22/192167622.db2.gz FRFFTPFQJJTLQO-JTQLQIEISA-N 2 1 249.314 1.043 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H]([NH3+])C1 ZINC000420123912 192167919 /nfs/dbraw/zinc/16/79/19/192167919.db2.gz RMTZAJAUQXWUED-SNVBAGLBSA-N 2 1 249.314 1.186 20 0 BDADMP C[C@@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623510181 362935117 /nfs/dbraw/zinc/93/51/17/362935117.db2.gz KUISMFKGRPGVLN-NEPJUHHUSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000388592131 349204191 /nfs/dbraw/zinc/20/41/91/349204191.db2.gz MCOIMCSASINYPN-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972342 490243328 /nfs/dbraw/zinc/24/33/28/490243328.db2.gz PPNJTGPXMOTKGV-JHJVBQTASA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972342 490243333 /nfs/dbraw/zinc/24/33/33/490243333.db2.gz PPNJTGPXMOTKGV-JHJVBQTASA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972342 490243338 /nfs/dbraw/zinc/24/33/38/490243338.db2.gz PPNJTGPXMOTKGV-JHJVBQTASA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC=CCC1)C1CC1 ZINC000380977841 350073829 /nfs/dbraw/zinc/07/38/29/350073829.db2.gz BVYZQXXBAKPIIY-WCQYABFASA-N 2 1 224.348 1.140 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC=CCC1)C1CC1 ZINC000380977841 350073831 /nfs/dbraw/zinc/07/38/31/350073831.db2.gz BVYZQXXBAKPIIY-WCQYABFASA-N 2 1 224.348 1.140 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000070837103 350067914 /nfs/dbraw/zinc/06/79/14/350067914.db2.gz DFKKZGFUPXDPTR-WCBMZHEXSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000070837103 350067916 /nfs/dbraw/zinc/06/79/16/350067916.db2.gz DFKKZGFUPXDPTR-WCBMZHEXSA-N 2 1 225.361 1.763 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000422699564 192433801 /nfs/dbraw/zinc/43/38/01/192433801.db2.gz DQQZMEZNALCFDC-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+]CC1([NH3+])CCC1 ZINC000342119116 180106728 /nfs/dbraw/zinc/10/67/28/180106728.db2.gz HFDYIGARWHFOLL-UHFFFAOYSA-N 2 1 244.342 1.614 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000309193949 350167096 /nfs/dbraw/zinc/16/70/96/350167096.db2.gz CXZWEHAVMWVGAI-UPJWGTAASA-N 2 1 227.396 1.575 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427128214 191054408 /nfs/dbraw/zinc/05/44/08/191054408.db2.gz KACBPKBLXWCOPV-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000333771493 180155929 /nfs/dbraw/zinc/15/59/29/180155929.db2.gz RLASHEFYSJEGPH-HZSPNIEDSA-N 2 1 249.358 1.993 20 0 BDADMP Cc1ncc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000105480487 180158407 /nfs/dbraw/zinc/15/84/07/180158407.db2.gz QUCWNSDSLGARLC-CABZTGNLSA-N 2 1 239.388 1.881 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)s1 ZINC000105480487 180158408 /nfs/dbraw/zinc/15/84/08/180158408.db2.gz QUCWNSDSLGARLC-CABZTGNLSA-N 2 1 239.388 1.881 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000049714050 180146025 /nfs/dbraw/zinc/14/60/25/180146025.db2.gz QRSYMGPKKGUWMO-WCBMZHEXSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000049714050 180146027 /nfs/dbraw/zinc/14/60/27/180146027.db2.gz QRSYMGPKKGUWMO-WCBMZHEXSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000339281751 180151703 /nfs/dbraw/zinc/15/17/03/180151703.db2.gz JWIWFPUGQYSKFW-GFCCVEGCSA-N 2 1 246.358 1.359 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000339281751 180151705 /nfs/dbraw/zinc/15/17/05/180151705.db2.gz JWIWFPUGQYSKFW-GFCCVEGCSA-N 2 1 246.358 1.359 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000309224248 350212839 /nfs/dbraw/zinc/21/28/39/350212839.db2.gz HHHAUFZVXHIHOV-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000309224248 350212840 /nfs/dbraw/zinc/21/28/40/350212840.db2.gz HHHAUFZVXHIHOV-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000309224248 350212841 /nfs/dbraw/zinc/21/28/41/350212841.db2.gz HHHAUFZVXHIHOV-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000309224248 350212843 /nfs/dbraw/zinc/21/28/43/350212843.db2.gz HHHAUFZVXHIHOV-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000083462351 350213997 /nfs/dbraw/zinc/21/39/97/350213997.db2.gz WTVCMKBDEWHXOA-RVMXOQNASA-N 2 1 228.380 1.466 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000336691072 180239237 /nfs/dbraw/zinc/23/92/37/180239237.db2.gz CXHVTGZIKSHVAS-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000336691072 180239239 /nfs/dbraw/zinc/23/92/39/180239239.db2.gz CXHVTGZIKSHVAS-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1CO ZINC000119137831 180239944 /nfs/dbraw/zinc/23/99/44/180239944.db2.gz QOMRFTBZGRGHAN-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1CO ZINC000119137831 180239947 /nfs/dbraw/zinc/23/99/47/180239947.db2.gz QOMRFTBZGRGHAN-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083527374 350234478 /nfs/dbraw/zinc/23/44/78/350234478.db2.gz DBHZOSFHPBCUEE-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C)(C)CO ZINC000336710830 180234860 /nfs/dbraw/zinc/23/48/60/180234860.db2.gz QUKTTXODUGLRRH-UHFFFAOYSA-N 2 1 239.363 1.532 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C)(C)CO ZINC000336710830 180234862 /nfs/dbraw/zinc/23/48/62/180234862.db2.gz QUKTTXODUGLRRH-UHFFFAOYSA-N 2 1 239.363 1.532 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cncs1 ZINC000268983695 180245812 /nfs/dbraw/zinc/24/58/12/180245812.db2.gz SFFYYEGWVGQECV-UHFFFAOYSA-N 2 1 236.344 1.828 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000338014296 180245943 /nfs/dbraw/zinc/24/59/43/180245943.db2.gz FXJXPEFNAPCLDS-AAEUAGOBSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCOC(C)C ZINC000346282427 180251269 /nfs/dbraw/zinc/25/12/69/180251269.db2.gz VAZIZRHRKXATJG-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CCCOC(C)C ZINC000346282427 180251270 /nfs/dbraw/zinc/25/12/70/180251270.db2.gz VAZIZRHRKXATJG-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(O)CC1 ZINC000353442678 180243811 /nfs/dbraw/zinc/24/38/11/180243811.db2.gz PZGFNVIYBHTHTQ-UHFFFAOYSA-N 2 1 237.347 1.475 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(CO)o1 ZINC000266245582 180260508 /nfs/dbraw/zinc/26/05/08/180260508.db2.gz YRFRELAUNZPQCO-UHFFFAOYSA-N 2 1 235.287 1.067 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275198336 180264572 /nfs/dbraw/zinc/26/45/72/180264572.db2.gz PYLYBLKGSHSNJR-QWRGUYRKSA-N 2 1 247.346 1.902 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCSC1 ZINC000167306159 180264797 /nfs/dbraw/zinc/26/47/97/180264797.db2.gz RTXVNRPIQMCWMF-JQWIXIFHSA-N 2 1 239.388 1.923 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000037977196 350297451 /nfs/dbraw/zinc/29/74/51/350297451.db2.gz SSQZTTQWZNDACY-NSHDSACASA-N 2 1 214.378 1.566 20 0 BDADMP Cc1ncsc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228063746 180318764 /nfs/dbraw/zinc/31/87/64/180318764.db2.gz ZGBKOQSKFZYPSI-SCZZXKLOSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]CCC[NH+](C)C ZINC000020091783 180340496 /nfs/dbraw/zinc/34/04/96/180340496.db2.gz LUYATLJRRTVBFW-UHFFFAOYSA-N 2 1 224.352 1.078 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268804815 180381191 /nfs/dbraw/zinc/38/11/91/180381191.db2.gz KKZDLZLPZBKPDA-JTQLQIEISA-N 2 1 247.346 1.584 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229067722 180374293 /nfs/dbraw/zinc/37/42/93/180374293.db2.gz ZLEKLXWBQOGAES-JQWIXIFHSA-N 2 1 236.363 1.145 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2COCC2(C)C)CC1(C)C ZINC000623541683 362959392 /nfs/dbraw/zinc/95/93/92/362959392.db2.gz TWFZMRDYPGWJTN-RYUDHWBXSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000300916490 490572837 /nfs/dbraw/zinc/57/28/37/490572837.db2.gz YXKOLQJYPHSCPT-AGIUHOORSA-N 2 1 228.380 1.731 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000163494051 350523440 /nfs/dbraw/zinc/52/34/40/350523440.db2.gz BDIWSPHLWKBZKK-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163494051 350523444 /nfs/dbraw/zinc/52/34/44/350523444.db2.gz BDIWSPHLWKBZKK-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163494051 350523446 /nfs/dbraw/zinc/52/34/46/350523446.db2.gz BDIWSPHLWKBZKK-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP C/C=C/C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000623739107 350882189 /nfs/dbraw/zinc/88/21/89/350882189.db2.gz IOSKNGPYMAMFKX-SNAWJCMRSA-N 2 1 205.305 1.813 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336688916 350964876 /nfs/dbraw/zinc/96/48/76/350964876.db2.gz VWZOYSMGDIHXLN-JHJVBQTASA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1(CO)CC1 ZINC000623563809 362989148 /nfs/dbraw/zinc/98/91/48/362989148.db2.gz KQHVIVAABDUYJE-NWDGAFQWSA-N 2 1 240.391 1.610 20 0 BDADMP Brc1c[nH+]ccc1N[C@H]1CC[NH2+]C1 ZINC000159893218 351023173 /nfs/dbraw/zinc/02/31/73/351023173.db2.gz GQLHGSZNOGWOOB-ZETCQYMHSA-N 2 1 242.120 1.618 20 0 BDADMP CC1(C)COC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000313006220 351062074 /nfs/dbraw/zinc/06/20/74/351062074.db2.gz QOHHDEAKNZHUCF-ZDUSSCGKSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261976824 535157575 /nfs/dbraw/zinc/15/75/75/535157575.db2.gz RDGIDUNLVUMRFF-JHJVBQTASA-N 2 1 238.375 1.533 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CCOC)COC)CC1 ZINC000336717254 351132205 /nfs/dbraw/zinc/13/22/05/351132205.db2.gz QJGLWVVCGAVGKD-CYBMUJFWSA-N 2 1 244.379 1.112 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000225694796 259419072 /nfs/dbraw/zinc/41/90/72/259419072.db2.gz BYLKVGZRLDYSCQ-QWHCGFSZSA-N 2 1 228.380 1.589 20 0 BDADMP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000637828715 351676885 /nfs/dbraw/zinc/67/68/85/351676885.db2.gz GRERSXLIGXENQP-NSHDSACASA-N 2 1 247.342 1.121 20 0 BDADMP FC1(C[NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000390002311 351788800 /nfs/dbraw/zinc/78/88/00/351788800.db2.gz UIUXHRVESIQDQO-MRVPVSSYSA-N 2 1 209.268 1.359 20 0 BDADMP CCN1CCC([N@@H+](C)Cc2ccc(=O)[nH]c2)CC1 ZINC000637887744 351754745 /nfs/dbraw/zinc/75/47/45/351754745.db2.gz YZLIZPGNIUBPRT-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP CC[NH+]1CCC(N(C)Cc2ccc(=O)[nH]c2)CC1 ZINC000637887744 351754749 /nfs/dbraw/zinc/75/47/49/351754749.db2.gz YZLIZPGNIUBPRT-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(=O)[nH]c2)CC1 ZINC000637887744 351754753 /nfs/dbraw/zinc/75/47/53/351754753.db2.gz YZLIZPGNIUBPRT-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(=O)[nH]c2)CC1 ZINC000637887744 351754755 /nfs/dbraw/zinc/75/47/55/351754755.db2.gz YZLIZPGNIUBPRT-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638360489 352171504 /nfs/dbraw/zinc/17/15/04/352171504.db2.gz SCBFLBXCPLSWIH-RYUDHWBXSA-N 2 1 246.420 1.438 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]CC1(C(C)C)CC1 ZINC000638359118 352171530 /nfs/dbraw/zinc/17/15/30/352171530.db2.gz GWMJOJAOOCRZJG-UHFFFAOYSA-N 2 1 242.407 1.981 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638368352 352179274 /nfs/dbraw/zinc/17/92/74/352179274.db2.gz JKHZMEBOGVEXQR-QWRGUYRKSA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@](C)(C[NH2+]CCCn1cc[nH+]c1C)OC ZINC000638385269 352196064 /nfs/dbraw/zinc/19/60/64/352196064.db2.gz GFVPCYLIHYTJTA-CYBMUJFWSA-N 2 1 239.363 1.986 20 0 BDADMP CCN(CC[NH3+])C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000638518757 352350923 /nfs/dbraw/zinc/35/09/23/352350923.db2.gz PAHJISMQBYJZIP-CYBMUJFWSA-N 2 1 249.358 1.097 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[NH2+][C@H](C)C1 ZINC000420210029 192176055 /nfs/dbraw/zinc/17/60/55/192176055.db2.gz SAZSUCSHZIIPQR-SNVBAGLBSA-N 2 1 249.314 1.056 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000412037250 191247734 /nfs/dbraw/zinc/24/77/34/191247734.db2.gz NHSRSXIPWPCBBL-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000412037250 191247736 /nfs/dbraw/zinc/24/77/36/191247736.db2.gz NHSRSXIPWPCBBL-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000412037250 191247738 /nfs/dbraw/zinc/24/77/38/191247738.db2.gz NHSRSXIPWPCBBL-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)[NH+](CCN[C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000342852769 352874991 /nfs/dbraw/zinc/87/49/91/352874991.db2.gz RTHXDQYYVXHYCO-UONOGXRCSA-N 2 1 241.423 1.645 20 0 BDADMP CO[C@@](C)(C[NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000638838061 353022697 /nfs/dbraw/zinc/02/26/97/353022697.db2.gz CKZJONAQAMMEEQ-AWEZNQCLSA-N 2 1 238.375 1.653 20 0 BDADMP CCC[C@H](C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21)OC ZINC000638919098 353083977 /nfs/dbraw/zinc/08/39/77/353083977.db2.gz YEAALIZTHFZKCQ-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000250491747 188086284 /nfs/dbraw/zinc/08/62/84/188086284.db2.gz HHPAYLYTWCEPQT-RYUDHWBXSA-N 2 1 213.369 1.044 20 0 BDADMP C(C[NH+]1CCCC1)C[N@@H+]1CCCOCC1 ZINC000371198705 188074098 /nfs/dbraw/zinc/07/40/98/188074098.db2.gz OHUKCJSWEGCAFY-UHFFFAOYSA-N 2 1 212.337 1.195 20 0 BDADMP C(C[NH+]1CCCC1)C[N@H+]1CCCOCC1 ZINC000371198705 188074100 /nfs/dbraw/zinc/07/41/00/188074100.db2.gz OHUKCJSWEGCAFY-UHFFFAOYSA-N 2 1 212.337 1.195 20 0 BDADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+]C1CCOCC1 ZINC000036996401 188082678 /nfs/dbraw/zinc/08/26/78/188082678.db2.gz QROGKKHSCDFCSX-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+]C1CCOCC1 ZINC000036996401 188082679 /nfs/dbraw/zinc/08/26/79/188082679.db2.gz QROGKKHSCDFCSX-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353562961 188085210 /nfs/dbraw/zinc/08/52/10/188085210.db2.gz CVCSRHHNYLDSAL-RDBSUJKOSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353562961 188085212 /nfs/dbraw/zinc/08/52/12/188085212.db2.gz CVCSRHHNYLDSAL-RDBSUJKOSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353562961 188085214 /nfs/dbraw/zinc/08/52/14/188085214.db2.gz CVCSRHHNYLDSAL-RDBSUJKOSA-N 2 1 241.423 1.787 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000044534736 188123951 /nfs/dbraw/zinc/12/39/51/188123951.db2.gz LQLWNQIOPXKVCG-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000044534736 188123952 /nfs/dbraw/zinc/12/39/52/188123952.db2.gz LQLWNQIOPXKVCG-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553968 188153560 /nfs/dbraw/zinc/15/35/60/188153560.db2.gz NFRFXKPBMZKUON-VIFPVBQESA-N 2 1 210.325 1.148 20 0 BDADMP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000300252161 188156382 /nfs/dbraw/zinc/15/63/82/188156382.db2.gz WYCZAHQUJGVKOA-KBPBESRZSA-N 2 1 246.358 1.700 20 0 BDADMP C=Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000300252161 188156383 /nfs/dbraw/zinc/15/63/83/188156383.db2.gz WYCZAHQUJGVKOA-KBPBESRZSA-N 2 1 246.358 1.700 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000308995526 188166232 /nfs/dbraw/zinc/16/62/32/188166232.db2.gz PKKIRYLIWSNUPT-CKYFFXLPSA-N 2 1 207.321 1.826 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310233944 188171234 /nfs/dbraw/zinc/17/12/34/188171234.db2.gz HXVSXRJRDRGCDB-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCCO1 ZINC000310294777 188171445 /nfs/dbraw/zinc/17/14/45/188171445.db2.gz SHCHHRFAEKSXAI-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP CC(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343254854 353251664 /nfs/dbraw/zinc/25/16/64/353251664.db2.gz VKLGUQZRIKFFML-MJBXVCDLSA-N 2 1 240.391 1.779 20 0 BDADMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCOC1 ZINC000111319035 188176714 /nfs/dbraw/zinc/17/67/14/188176714.db2.gz ICLUQDZNYPWMJB-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCOC1 ZINC000111319035 188176715 /nfs/dbraw/zinc/17/67/15/188176715.db2.gz ICLUQDZNYPWMJB-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)=CCN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000365446174 188180159 /nfs/dbraw/zinc/18/01/59/188180159.db2.gz HFXWWYKQQCZZOR-OLZOCXBDSA-N 2 1 208.349 1.979 20 0 BDADMP C([C@H]1CC[N@H+](C[C@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000336722210 188183078 /nfs/dbraw/zinc/18/30/78/188183078.db2.gz ZTTVDCFPLLNWOU-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163174121 188184253 /nfs/dbraw/zinc/18/42/53/188184253.db2.gz UEDQHKLRBLINOO-OCCSQVGLSA-N 2 1 248.370 1.907 20 0 BDADMP CC(C)[C@H](C)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402080 188217029 /nfs/dbraw/zinc/21/70/29/188217029.db2.gz YYBMFQJCJBGEFQ-VIFPVBQESA-N 2 1 240.351 1.740 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402080 188217030 /nfs/dbraw/zinc/21/70/30/188217030.db2.gz YYBMFQJCJBGEFQ-VIFPVBQESA-N 2 1 240.351 1.740 20 0 BDADMP CSc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000161982817 188220879 /nfs/dbraw/zinc/22/08/79/188220879.db2.gz GFLIVMNWIWWFJN-SECBINFHSA-N 2 1 210.346 1.845 20 0 BDADMP CC[N@H+]1CCN(c2ncnc3[nH]ccc32)[C@@H](C)C1 ZINC000343266005 353278372 /nfs/dbraw/zinc/27/83/72/353278372.db2.gz PWEYGFKAMXMHBM-JTQLQIEISA-N 2 1 245.330 1.488 20 0 BDADMP CCOC(=O)C[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094024731 188223078 /nfs/dbraw/zinc/22/30/78/188223078.db2.gz FMZNLLUSQMOXLC-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000252213288 353299385 /nfs/dbraw/zinc/29/93/85/353299385.db2.gz WYTNEESEYFHTRX-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000168886792 538114928 /nfs/dbraw/zinc/11/49/28/538114928.db2.gz VCTRMASHTYLBAU-RYUDHWBXSA-N 2 1 247.342 1.050 20 0 BDADMP C(CN1CC[N@H+]2CCCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694234 353303865 /nfs/dbraw/zinc/30/38/65/353303865.db2.gz YTWZVWYPEHKWGM-KGLIPLIRSA-N 2 1 237.391 1.156 20 0 BDADMP C(C[N@@H+]1CCN2CCCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694234 353303866 /nfs/dbraw/zinc/30/38/66/353303866.db2.gz YTWZVWYPEHKWGM-KGLIPLIRSA-N 2 1 237.391 1.156 20 0 BDADMP C(C[N@H+]1CCN2CCCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694234 353303867 /nfs/dbraw/zinc/30/38/67/353303867.db2.gz YTWZVWYPEHKWGM-KGLIPLIRSA-N 2 1 237.391 1.156 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000230312520 353486181 /nfs/dbraw/zinc/48/61/81/353486181.db2.gz ORDVUJSXEXLFQQ-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1nc(CNC[C@H](C)[N@@H+](C)C2CC2)[nH]c1C ZINC000572498018 324134689 /nfs/dbraw/zinc/13/46/89/324134689.db2.gz GLLQFPIRLNFWAW-VIFPVBQESA-N 2 1 236.363 1.599 20 0 BDADMP C[NH+](C)C[C@@](C)(O)CNc1[nH]c2ccccc2[nH+]1 ZINC000230488992 353500037 /nfs/dbraw/zinc/50/00/37/353500037.db2.gz OQMYKMPDMLBOCS-ZDUSSCGKSA-N 2 1 248.330 1.287 20 0 BDADMP Cc1nn(C)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231455110 353611980 /nfs/dbraw/zinc/61/19/80/353611980.db2.gz RRVDVRBZQLKQII-CYBMUJFWSA-N 2 1 236.363 1.302 20 0 BDADMP Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231455110 353611985 /nfs/dbraw/zinc/61/19/85/353611985.db2.gz RRVDVRBZQLKQII-CYBMUJFWSA-N 2 1 236.363 1.302 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)CC[N@@H+]1C ZINC000334519559 353673237 /nfs/dbraw/zinc/67/32/37/353673237.db2.gz LEQNPFHHEGTDCG-QKEWWQLBSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)CC[N@H+]1C ZINC000334519559 353673239 /nfs/dbraw/zinc/67/32/39/353673239.db2.gz LEQNPFHHEGTDCG-QKEWWQLBSA-N 2 1 214.328 1.949 20 0 BDADMP CC(C)COCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000232658358 353745643 /nfs/dbraw/zinc/74/56/43/353745643.db2.gz ZDKLBYJSAPFWSX-ZDUSSCGKSA-N 2 1 228.380 1.862 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220339918 353829606 /nfs/dbraw/zinc/82/96/06/353829606.db2.gz MLEGEEHVTGHICQ-YPMHNXCESA-N 2 1 236.363 1.462 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220339918 353829608 /nfs/dbraw/zinc/82/96/08/353829608.db2.gz MLEGEEHVTGHICQ-YPMHNXCESA-N 2 1 236.363 1.462 20 0 BDADMP Fc1cncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335251210 181019155 /nfs/dbraw/zinc/01/91/55/181019155.db2.gz BITCFTZYJMATLU-BETUJISGSA-N 2 1 249.333 1.652 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)OC)CC1 ZINC000343501910 353914891 /nfs/dbraw/zinc/91/48/91/353914891.db2.gz YUPBKUQINBBGLJ-NEPJUHHUSA-N 2 1 244.379 1.110 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000343501913 353915438 /nfs/dbraw/zinc/91/54/38/353915438.db2.gz YUPBKUQINBBGLJ-RYUDHWBXSA-N 2 1 244.379 1.110 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)CC1=CCCOC1 ZINC000343623427 353946959 /nfs/dbraw/zinc/94/69/59/353946959.db2.gz OXMIQGMGAZUXFZ-UHFFFAOYSA-N 2 1 238.375 1.751 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CC1=CCCOC1 ZINC000343623427 353946961 /nfs/dbraw/zinc/94/69/61/353946961.db2.gz OXMIQGMGAZUXFZ-UHFFFAOYSA-N 2 1 238.375 1.751 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000343903135 354054937 /nfs/dbraw/zinc/05/49/37/354054937.db2.gz CTYMQQVIAZPEKP-WCQYABFASA-N 2 1 236.363 1.121 20 0 BDADMP CC(C)OCCC[NH2+]CC[NH2+]C(C)(C)C ZINC000230969648 363332039 /nfs/dbraw/zinc/33/20/39/363332039.db2.gz LTPOKVJNUSDVQM-UHFFFAOYSA-N 2 1 216.369 1.779 20 0 BDADMP CC[N@H+]1C[C@H](NC[C@H](C)[NH+](C)C2CC2)[C@@H](C)C1 ZINC000344221560 354181781 /nfs/dbraw/zinc/18/17/81/354181781.db2.gz MTMCXZPOIDNAAN-OBJOEFQTSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@@H+]1C[C@H](NC[C@H](C)[NH+](C)C2CC2)[C@@H](C)C1 ZINC000344221560 354181785 /nfs/dbraw/zinc/18/17/85/354181785.db2.gz MTMCXZPOIDNAAN-OBJOEFQTSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1C[C@H](NC[C@H](C)[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000344221560 354181791 /nfs/dbraw/zinc/18/17/91/354181791.db2.gz MTMCXZPOIDNAAN-OBJOEFQTSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1C[C@H](NC[C@H](C)[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000344221560 354181796 /nfs/dbraw/zinc/18/17/96/354181796.db2.gz MTMCXZPOIDNAAN-OBJOEFQTSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+](Cc1ccnn1C)[C@H]1CCC[NH2+]CC1 ZINC000435387222 191304572 /nfs/dbraw/zinc/30/45/72/191304572.db2.gz YKNQHNOITBFHTF-LBPRGKRZSA-N 2 1 236.363 1.384 20 0 BDADMP CC[N@@H+](Cc1ccnn1C)[C@H]1CCC[NH2+]CC1 ZINC000435387222 191304575 /nfs/dbraw/zinc/30/45/75/191304575.db2.gz YKNQHNOITBFHTF-LBPRGKRZSA-N 2 1 236.363 1.384 20 0 BDADMP CC[C@@](C)(C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639204158 354620799 /nfs/dbraw/zinc/62/07/99/354620799.db2.gz PKGMTXJOGBVMSN-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@](C)(C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000639204158 354620802 /nfs/dbraw/zinc/62/08/02/354620802.db2.gz PKGMTXJOGBVMSN-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@](C)(C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204158 354620804 /nfs/dbraw/zinc/62/08/04/354620804.db2.gz PKGMTXJOGBVMSN-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CN(C)c1ncc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)n1C ZINC000335109818 354695644 /nfs/dbraw/zinc/69/56/44/354695644.db2.gz JBJGJIBJTRHNEE-AAEUAGOBSA-N 2 1 248.374 1.861 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000335173351 354939705 /nfs/dbraw/zinc/93/97/05/354939705.db2.gz NEDRUEFXJPYXRZ-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CCO1 ZINC000346695202 355077094 /nfs/dbraw/zinc/07/70/94/355077094.db2.gz YVIYEVUPGKGQCI-REWJHTLYSA-N 2 1 240.391 1.861 20 0 BDADMP C1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2(C1)CCOCC2 ZINC000335182214 355079504 /nfs/dbraw/zinc/07/95/04/355079504.db2.gz SKOPCETXLMCJHQ-CHWSQXEVSA-N 2 1 238.375 1.677 20 0 BDADMP CCOC(=O)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346843282 355134669 /nfs/dbraw/zinc/13/46/69/355134669.db2.gz XXLURANEUIJSAX-UHFFFAOYSA-N 2 1 242.363 1.389 20 0 BDADMP Cc1cnc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000639257504 355302461 /nfs/dbraw/zinc/30/24/61/355302461.db2.gz OFXZDOXNEXRHBD-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP Cc1cnc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000639257504 355302462 /nfs/dbraw/zinc/30/24/62/355302462.db2.gz OFXZDOXNEXRHBD-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1C[C@H]1C ZINC000414109804 191434374 /nfs/dbraw/zinc/43/43/74/191434374.db2.gz HNFMELMKNQPRJJ-UPJWGTAASA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)C(C)C ZINC000414285299 191480968 /nfs/dbraw/zinc/48/09/68/191480968.db2.gz BDSWIEPRSNDXDI-QWHCGFSZSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)CC[C@@H]2C)CC[NH2+]1 ZINC000414693257 191547744 /nfs/dbraw/zinc/54/77/44/191547744.db2.gz MKAIWLDIYXCABY-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](CF)C2)CC[NH2+]1 ZINC000415120674 191683055 /nfs/dbraw/zinc/68/30/55/191683055.db2.gz JAUOZOPUVYZGPF-GRYCIOLGSA-N 2 1 230.327 1.045 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])C2CCCC2)CC[NH2+]1 ZINC000415065005 191667445 /nfs/dbraw/zinc/66/74/45/191667445.db2.gz LYRGFRDPPDKPFL-DYEKYZERSA-N 3 1 239.407 1.482 20 0 BDADMP COCc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1F ZINC000415077314 191673000 /nfs/dbraw/zinc/67/30/00/191673000.db2.gz HKJXGFSEDUAYAW-UHFFFAOYSA-N 2 1 240.322 1.799 20 0 BDADMP CN1CC(C[N@@H+](C)CCC[C@@H]2CCO2)C1 ZINC000639309375 355665257 /nfs/dbraw/zinc/66/52/57/355665257.db2.gz NQENEXCKCIEFMF-GFCCVEGCSA-N 2 1 212.337 1.049 20 0 BDADMP CN1CC(C[N@@H+](C)CCC[C@H]2CCO2)C1 ZINC000639309376 355665396 /nfs/dbraw/zinc/66/53/96/355665396.db2.gz NQENEXCKCIEFMF-LBPRGKRZSA-N 2 1 212.337 1.049 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000353986711 355749627 /nfs/dbraw/zinc/74/96/27/355749627.db2.gz KPAVGTXIXRQNCZ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000353986711 355749631 /nfs/dbraw/zinc/74/96/31/355749631.db2.gz KPAVGTXIXRQNCZ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000216035520 355798903 /nfs/dbraw/zinc/79/89/03/355798903.db2.gz SQDDZDPJYZROHE-AAEUAGOBSA-N 2 1 234.343 1.864 20 0 BDADMP C[N@H+]1CC[C@H](NCc2ncc[nH]2)CC1(C)C ZINC000639369019 355854147 /nfs/dbraw/zinc/85/41/47/355854147.db2.gz ZKRQGZGCNMLNME-JTQLQIEISA-N 2 1 222.336 1.372 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](C)OC)CC1 ZINC000639378244 355911370 /nfs/dbraw/zinc/91/13/70/355911370.db2.gz NQEAOCJLVKAOFM-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CO)CC(C)C)CC1 ZINC000040773297 358499514 /nfs/dbraw/zinc/49/95/14/358499514.db2.gz YRTGSJKDCKICTD-CYBMUJFWSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCSCCCO ZINC000167392665 355986837 /nfs/dbraw/zinc/98/68/37/355986837.db2.gz JINLJPYSDZXLFT-NEPJUHHUSA-N 2 1 246.420 1.032 20 0 BDADMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000167322874 355991510 /nfs/dbraw/zinc/99/15/10/355991510.db2.gz LHQXKQGUUUQKFD-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CCCn2ccnc2)CCO1 ZINC000351102733 355947844 /nfs/dbraw/zinc/94/78/44/355947844.db2.gz PYAAOMSROGHNNM-ZDUSSCGKSA-N 2 1 237.347 1.630 20 0 BDADMP Cc1nccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000351657979 356046825 /nfs/dbraw/zinc/04/68/25/356046825.db2.gz FRFCZHIGMJBPBJ-FZMZJTMJSA-N 2 1 248.374 1.700 20 0 BDADMP Cc1cc(N2CC[NH2+]C[C@](C)(F)C2)nc(C)[nH+]1 ZINC000420254696 192188356 /nfs/dbraw/zinc/18/83/56/192188356.db2.gz ALAWNCXSEIMMHI-LBPRGKRZSA-N 2 1 238.310 1.231 20 0 BDADMP CCCC[N@@H+](CCO)CC[C@@H]1CCC[NH2+]C1 ZINC000420296424 192204183 /nfs/dbraw/zinc/20/41/83/192204183.db2.gz BXFKMPYVRZOQQK-ZDUSSCGKSA-N 2 1 228.380 1.471 20 0 BDADMP CCCC[N@@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000420296423 192205117 /nfs/dbraw/zinc/20/51/17/192205117.db2.gz BXFKMPYVRZOQQK-CYBMUJFWSA-N 2 1 228.380 1.471 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420297381 192205169 /nfs/dbraw/zinc/20/51/69/192205169.db2.gz YTFLFECHPQJPOR-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420297381 192205171 /nfs/dbraw/zinc/20/51/71/192205171.db2.gz YTFLFECHPQJPOR-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000420302708 192206192 /nfs/dbraw/zinc/20/61/92/192206192.db2.gz BVRJOYYUDDIPPR-KBPBESRZSA-N 3 1 239.407 1.450 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000420318561 192196180 /nfs/dbraw/zinc/19/61/80/192196180.db2.gz QHHHXJYWMQORIA-HUUCEWRRSA-N 2 1 245.370 1.698 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420301363 192206604 /nfs/dbraw/zinc/20/66/04/192206604.db2.gz VPRPXPJPNVWZJN-STQMWFEESA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420301363 192206606 /nfs/dbraw/zinc/20/66/06/192206606.db2.gz VPRPXPJPNVWZJN-STQMWFEESA-N 2 1 226.364 1.759 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCCc1ccncc1)C1CC1 ZINC000420302955 192206952 /nfs/dbraw/zinc/20/69/52/192206952.db2.gz KCKMVSWWCMUWFN-CQSZACIVSA-N 2 1 233.359 1.731 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420299776 192206976 /nfs/dbraw/zinc/20/69/76/192206976.db2.gz UKFXFTNPMFTOQU-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639490309 356307918 /nfs/dbraw/zinc/30/79/18/356307918.db2.gz WOBPZHWSGYPUFD-LBPRGKRZSA-N 2 1 235.331 1.171 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000420282631 192199668 /nfs/dbraw/zinc/19/96/68/192199668.db2.gz BTGKAHXMMKXQGV-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000420282631 192199670 /nfs/dbraw/zinc/19/96/70/192199670.db2.gz BTGKAHXMMKXQGV-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP Nc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000420315990 192213201 /nfs/dbraw/zinc/21/32/01/192213201.db2.gz SLOSGRWSZBTSPN-NSHDSACASA-N 2 1 234.347 1.055 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420317958 192213717 /nfs/dbraw/zinc/21/37/17/192213717.db2.gz ZZDHUWMGEOFRLI-UHFFFAOYSA-N 2 1 240.347 1.015 20 0 BDADMP c1cnn(CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420330528 192213987 /nfs/dbraw/zinc/21/39/87/192213987.db2.gz QBBQNJDCZUUZEA-KGLIPLIRSA-N 2 1 248.374 1.205 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345535 192216622 /nfs/dbraw/zinc/21/66/22/192216622.db2.gz VQNZFNSYLOFEOY-BFHYXJOUSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420345535 192216624 /nfs/dbraw/zinc/21/66/24/192216624.db2.gz VQNZFNSYLOFEOY-BFHYXJOUSA-N 3 1 237.391 1.060 20 0 BDADMP CCOC(=O)CC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420306461 192208767 /nfs/dbraw/zinc/20/87/67/192208767.db2.gz HNJPAEPLQDALHW-LBPRGKRZSA-N 2 1 242.363 1.404 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420305237 192209396 /nfs/dbraw/zinc/20/93/96/192209396.db2.gz PEPSHRYMUBDABT-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP NCC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420304016 192209717 /nfs/dbraw/zinc/20/97/17/192209717.db2.gz IHVZZSHFMAYEBT-AWEZNQCLSA-N 2 1 247.386 1.447 20 0 BDADMP NCC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420304016 192209719 /nfs/dbraw/zinc/20/97/19/192209719.db2.gz IHVZZSHFMAYEBT-AWEZNQCLSA-N 2 1 247.386 1.447 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420310885 192210394 /nfs/dbraw/zinc/21/03/94/192210394.db2.gz QHBGVFNJNWOBJL-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000420310885 192210398 /nfs/dbraw/zinc/21/03/98/192210398.db2.gz QHBGVFNJNWOBJL-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](CN)C1CC1 ZINC000420312867 192210464 /nfs/dbraw/zinc/21/04/64/192210464.db2.gz IUWDNXLDHXPAAH-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000420312867 192210467 /nfs/dbraw/zinc/21/04/67/192210467.db2.gz IUWDNXLDHXPAAH-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000420309735 192211213 /nfs/dbraw/zinc/21/12/13/192211213.db2.gz FILSPTNKWCLTRK-CABCVRRESA-N 2 1 245.370 1.556 20 0 BDADMP COC(=O)CC1(C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000420370936 192228640 /nfs/dbraw/zinc/22/86/40/192228640.db2.gz WFLYPFMKVZCXAH-JTQLQIEISA-N 2 1 242.363 1.293 20 0 BDADMP Cc1ccc(CC[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000420326912 192228972 /nfs/dbraw/zinc/22/89/72/192228972.db2.gz FKFLSJFSIDITMB-UHFFFAOYSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420328384 192228989 /nfs/dbraw/zinc/22/89/89/192228989.db2.gz ZHARNJLTUXVHJO-QEJZJMRPSA-N 2 1 248.370 1.259 20 0 BDADMP CCCCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329238 192229125 /nfs/dbraw/zinc/22/91/25/192229125.db2.gz ODEYNLZPZYLDSK-ZDUSSCGKSA-N 2 1 240.391 1.864 20 0 BDADMP CCCCC[N@@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000420325732 192229913 /nfs/dbraw/zinc/22/99/13/192229913.db2.gz WTCJKOXFYSQZII-CYBMUJFWSA-N 2 1 228.380 1.471 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420324259 192230524 /nfs/dbraw/zinc/23/05/24/192230524.db2.gz UWAVRTFWRIBUHO-OLZOCXBDSA-N 3 1 227.396 1.387 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420324259 192230527 /nfs/dbraw/zinc/23/05/27/192230527.db2.gz UWAVRTFWRIBUHO-OLZOCXBDSA-N 3 1 227.396 1.387 20 0 BDADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420354991 192219294 /nfs/dbraw/zinc/21/92/94/192219294.db2.gz PDDDYQKKFQNGSZ-WPRPVWTQSA-N 2 1 244.285 1.277 20 0 BDADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420354991 192219296 /nfs/dbraw/zinc/21/92/96/192219296.db2.gz PDDDYQKKFQNGSZ-WPRPVWTQSA-N 2 1 244.285 1.277 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)CN1C ZINC000420355360 192220641 /nfs/dbraw/zinc/22/06/41/192220641.db2.gz FJKTUBMIPYNYQN-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@H](C)[NH3+])CC2 ZINC000420361634 192222855 /nfs/dbraw/zinc/22/28/55/192222855.db2.gz NNLPOXNBEMWPNA-XQQFMLRXSA-N 2 1 225.380 1.281 20 0 BDADMP C[NH2+]CCC[N@H+]1CCc2cccc(OC)c2CC1 ZINC000420364029 192223633 /nfs/dbraw/zinc/22/36/33/192223633.db2.gz QJXBRJABCJOMBR-UHFFFAOYSA-N 2 1 248.370 1.705 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CCC[NH2+]C)C[C@@H]1C ZINC000420365690 192224152 /nfs/dbraw/zinc/22/41/52/192224152.db2.gz SOXMXINFNNPTTE-NWDGAFQWSA-N 2 1 213.369 1.010 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420365357 192224339 /nfs/dbraw/zinc/22/43/39/192224339.db2.gz LAUGORMZBJQBEE-YRGRVCCFSA-N 3 1 239.407 1.352 20 0 BDADMP CC(C)COCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420367587 192225334 /nfs/dbraw/zinc/22/53/34/192225334.db2.gz MWELRSONBSNHCB-FRRDWIJNSA-N 2 1 228.380 1.635 20 0 BDADMP CCSCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383232 192235654 /nfs/dbraw/zinc/23/56/54/192235654.db2.gz SOJFZJJEJWDCFH-LBPRGKRZSA-N 2 1 228.405 1.815 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420394435 192237495 /nfs/dbraw/zinc/23/74/95/192237495.db2.gz KOMCDNUYDVKKQO-VXGBXAGGSA-N 2 1 236.363 1.264 20 0 BDADMP [NH3+]CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000420397818 192238003 /nfs/dbraw/zinc/23/80/03/192238003.db2.gz GIEZOTJTCLSTET-STQMWFEESA-N 2 1 220.316 1.313 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420404462 192238713 /nfs/dbraw/zinc/23/87/13/192238713.db2.gz SFFRMXBPRWNUMN-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420405392 192238872 /nfs/dbraw/zinc/23/88/72/192238872.db2.gz MTHYODRXRPYFTF-GXTWGEPZSA-N 2 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000420410745 192239224 /nfs/dbraw/zinc/23/92/24/192239224.db2.gz RHVMHCVFDWVIBM-YPMHNXCESA-N 2 1 226.364 1.330 20 0 BDADMP COC[C@H]([NH2+]CCC[NH3+])c1ccc(F)c(F)c1 ZINC000420414686 192240383 /nfs/dbraw/zinc/24/03/83/192240383.db2.gz USDQZWAHKUDDCD-LBPRGKRZSA-N 2 1 244.285 1.591 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420375784 192232279 /nfs/dbraw/zinc/23/22/79/192232279.db2.gz UMIDWCYVTHAVHO-WRWGMCAJSA-N 2 1 214.353 1.388 20 0 BDADMP C[NH2+]CCC[N@H+]1CCOCC2(CCC2)C1 ZINC000420375073 192232506 /nfs/dbraw/zinc/23/25/06/192232506.db2.gz OYPCXZLSMFGULT-UHFFFAOYSA-N 2 1 212.337 1.098 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000336165885 134113098 /nfs/dbraw/zinc/11/30/98/134113098.db2.gz GBNINPURPRCWPU-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP COC1CC([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000449783336 202036259 /nfs/dbraw/zinc/03/62/59/202036259.db2.gz OICWSVIDWNYHQS-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP COC1CC([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000449783336 202036261 /nfs/dbraw/zinc/03/62/61/202036261.db2.gz OICWSVIDWNYHQS-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP COC[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682642 356593448 /nfs/dbraw/zinc/59/34/48/356593448.db2.gz GNUBABXMHGSCHV-ZDUSSCGKSA-N 2 1 249.358 1.629 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCc2cncn2C)C[C@@H]1C ZINC000639663567 356577448 /nfs/dbraw/zinc/57/74/48/356577448.db2.gz PRAIOJIRXZRCNN-WCQYABFASA-N 2 1 237.347 1.319 20 0 BDADMP c1cc(N2CCC[N@H+]([C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000639683711 356600065 /nfs/dbraw/zinc/60/00/65/356600065.db2.gz MMJYXUSUDADSTE-CQSZACIVSA-N 2 1 247.342 1.383 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000423076323 192560978 /nfs/dbraw/zinc/56/09/78/192560978.db2.gz QWVNBKAYDZCJER-IJLUTSLNSA-N 2 1 208.349 1.907 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc[nH]n3)C2)CC1 ZINC000639754600 356656257 /nfs/dbraw/zinc/65/62/57/356656257.db2.gz CYYJKFGURZMJTH-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP CN(C)C[C@]1(O)CCC[N@@H+](CC2CCC2)C1 ZINC000639760821 356675687 /nfs/dbraw/zinc/67/56/87/356675687.db2.gz AYRVQWDKDGLYPS-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2CCC2)C1 ZINC000639760821 356675689 /nfs/dbraw/zinc/67/56/89/356675689.db2.gz AYRVQWDKDGLYPS-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2CCC2)C1 ZINC000639760821 356675691 /nfs/dbraw/zinc/67/56/91/356675691.db2.gz AYRVQWDKDGLYPS-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C(C)(F)F ZINC000389451243 356676119 /nfs/dbraw/zinc/67/61/19/356676119.db2.gz SUZUAYAXGMZTBW-IUCAKERBSA-N 2 1 224.295 1.374 20 0 BDADMP CC(C)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761510 356677786 /nfs/dbraw/zinc/67/77/86/356677786.db2.gz IHDFZYXHBKFBFK-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761510 356677788 /nfs/dbraw/zinc/67/77/88/356677788.db2.gz IHDFZYXHBKFBFK-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000032012084 356697064 /nfs/dbraw/zinc/69/70/64/356697064.db2.gz LEKVOQHFGBZXLN-UHFFFAOYSA-N 2 1 208.305 1.094 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130249089 325030262 /nfs/dbraw/zinc/03/02/62/325030262.db2.gz PRJKEOUJVZLPTB-GRYCIOLGSA-N 2 1 212.337 1.238 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450431567 202166922 /nfs/dbraw/zinc/16/69/22/202166922.db2.gz ZZIFKBORNBKRET-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623356428 356792659 /nfs/dbraw/zinc/79/26/59/356792659.db2.gz OQUZPUPUKQLBAR-LBPRGKRZSA-N 2 1 236.363 1.681 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356428 356792664 /nfs/dbraw/zinc/79/26/64/356792664.db2.gz OQUZPUPUKQLBAR-LBPRGKRZSA-N 2 1 236.363 1.681 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623384636 356910315 /nfs/dbraw/zinc/91/03/15/356910315.db2.gz AQXLMMJFHSADQB-LBPRGKRZSA-N 2 1 242.407 2.000 20 0 BDADMP CN1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000020128936 356998230 /nfs/dbraw/zinc/99/82/30/356998230.db2.gz GILSAHTTZDDFHJ-UHFFFAOYSA-N 2 1 225.380 1.156 20 0 BDADMP COCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623392674 356985607 /nfs/dbraw/zinc/98/56/07/356985607.db2.gz MBSGZIKGXHNCSV-NEPJUHHUSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccoc1 ZINC000390422078 357092613 /nfs/dbraw/zinc/09/26/13/357092613.db2.gz KIDFBRHREOIJCU-SNVBAGLBSA-N 2 1 219.288 1.906 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000131117196 325118225 /nfs/dbraw/zinc/11/82/25/325118225.db2.gz HCFYXYCCDMJBNF-NEPJUHHUSA-N 2 1 224.348 1.118 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000131117196 325118230 /nfs/dbraw/zinc/11/82/30/325118230.db2.gz HCFYXYCCDMJBNF-NEPJUHHUSA-N 2 1 224.348 1.118 20 0 BDADMP CC(C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374420305 357160282 /nfs/dbraw/zinc/16/02/82/357160282.db2.gz LECCIDXFUONFQU-MELADBBJSA-N 2 1 240.391 1.826 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CCC[C@@H]1C ZINC000584359335 357329696 /nfs/dbraw/zinc/32/96/96/357329696.db2.gz YWYYTFJLGFLINA-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CCC[C@@H]1C ZINC000584359335 357329700 /nfs/dbraw/zinc/32/97/00/357329700.db2.gz YWYYTFJLGFLINA-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000584359335 357329703 /nfs/dbraw/zinc/32/97/03/357329703.db2.gz YWYYTFJLGFLINA-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000584359335 357329705 /nfs/dbraw/zinc/32/97/05/357329705.db2.gz YWYYTFJLGFLINA-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(N)=O ZINC000230383050 357531932 /nfs/dbraw/zinc/53/19/32/357531932.db2.gz FKTKDSXASUMPRT-NWDGAFQWSA-N 2 1 247.342 1.232 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230393028 357532891 /nfs/dbraw/zinc/53/28/91/357532891.db2.gz OTAHEXMYSBKCOO-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230393031 357533517 /nfs/dbraw/zinc/53/35/17/357533517.db2.gz OTAHEXMYSBKCOO-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000188996323 357599205 /nfs/dbraw/zinc/59/92/05/357599205.db2.gz JTDJSVCYPPBIND-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000188996323 357599212 /nfs/dbraw/zinc/59/92/12/357599212.db2.gz JTDJSVCYPPBIND-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]1(C)CO ZINC000545396718 325219705 /nfs/dbraw/zinc/21/97/05/325219705.db2.gz WJBABESBGYWOPY-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]1(C)CO ZINC000545396718 325219709 /nfs/dbraw/zinc/21/97/09/325219709.db2.gz WJBABESBGYWOPY-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]1(C)CO ZINC000545396718 325219712 /nfs/dbraw/zinc/21/97/12/325219712.db2.gz WJBABESBGYWOPY-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192468914 357835474 /nfs/dbraw/zinc/83/54/74/357835474.db2.gz FEBUUESBBIQZOP-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000192576729 357844386 /nfs/dbraw/zinc/84/43/86/357844386.db2.gz VAJOPNXPFXZRJP-ZDUSSCGKSA-N 2 1 248.374 1.438 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000639939768 357948470 /nfs/dbraw/zinc/94/84/70/357948470.db2.gz KTPCIJGBPHZVSH-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP COCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860722 325317962 /nfs/dbraw/zinc/31/79/62/325317962.db2.gz PYYDPHGTLVJSLT-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP COCCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860722 325317964 /nfs/dbraw/zinc/31/79/64/325317964.db2.gz PYYDPHGTLVJSLT-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP COCCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860722 325317966 /nfs/dbraw/zinc/31/79/66/325317966.db2.gz PYYDPHGTLVJSLT-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000220956325 358063396 /nfs/dbraw/zinc/06/33/96/358063396.db2.gz AHTJBQPOLWHESW-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CN(CC[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+]1C ZINC000220956325 358063398 /nfs/dbraw/zinc/06/33/98/358063398.db2.gz AHTJBQPOLWHESW-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CN(CC[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+]1C ZINC000220956325 358063402 /nfs/dbraw/zinc/06/34/02/358063402.db2.gz AHTJBQPOLWHESW-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CCC1([NH+](C)C)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000640017611 358080423 /nfs/dbraw/zinc/08/04/23/358080423.db2.gz PSUITMMEZGVUEH-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ncccc2O)CC1 ZINC000584806410 358182844 /nfs/dbraw/zinc/18/28/44/358182844.db2.gz ANUKBUMEJVEXNZ-LBPRGKRZSA-N 2 1 249.358 1.703 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ncccc2O)CC1 ZINC000584806410 358182849 /nfs/dbraw/zinc/18/28/49/358182849.db2.gz ANUKBUMEJVEXNZ-LBPRGKRZSA-N 2 1 249.358 1.703 20 0 BDADMP CSCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172423503 134265959 /nfs/dbraw/zinc/26/59/59/134265959.db2.gz UANZCZMNTHDVFZ-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP COCCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000044659224 358392442 /nfs/dbraw/zinc/39/24/42/358392442.db2.gz MZWWXDVKJHYOQT-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H](O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000044162364 358546157 /nfs/dbraw/zinc/54/61/57/358546157.db2.gz XYKAROXNYWWIGB-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H](O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000131326188 358671660 /nfs/dbraw/zinc/67/16/60/358671660.db2.gz PPHOWPQNJJQMOL-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H](O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000131326188 358671664 /nfs/dbraw/zinc/67/16/64/358671664.db2.gz PPHOWPQNJJQMOL-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000131859309 358697787 /nfs/dbraw/zinc/69/77/87/358697787.db2.gz SRRWCBVAVNXQBC-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000131859309 358697790 /nfs/dbraw/zinc/69/77/90/358697790.db2.gz SRRWCBVAVNXQBC-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccnc1 ZINC000133308131 358750891 /nfs/dbraw/zinc/75/08/91/358750891.db2.gz YEMHXEWIRYCLAM-ZDUSSCGKSA-N 2 1 221.348 1.887 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccnc1 ZINC000133308131 358750895 /nfs/dbraw/zinc/75/08/95/358750895.db2.gz YEMHXEWIRYCLAM-ZDUSSCGKSA-N 2 1 221.348 1.887 20 0 BDADMP C[NH2+]CCC[N@H+](CCO)Cc1ccccc1 ZINC000050515541 358733329 /nfs/dbraw/zinc/73/33/29/358733329.db2.gz WKUCHOSZFCXONM-UHFFFAOYSA-N 2 1 222.332 1.090 20 0 BDADMP C[NH2+]CCC[N@@H+](CCO)Cc1ccccc1 ZINC000050515541 358733331 /nfs/dbraw/zinc/73/33/31/358733331.db2.gz WKUCHOSZFCXONM-UHFFFAOYSA-N 2 1 222.332 1.090 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)CC[N@H+]1C ZINC000135074481 358819152 /nfs/dbraw/zinc/81/91/52/358819152.db2.gz GUOSSUQGAXQYOM-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCCC1 ZINC000052338867 358779813 /nfs/dbraw/zinc/77/98/13/358779813.db2.gz ZYEJYVCLNXIOLD-KGLIPLIRSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCCC1 ZINC000052337035 358780189 /nfs/dbraw/zinc/78/01/89/358780189.db2.gz JJIVZUIKLOOHGK-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000054111221 358852967 /nfs/dbraw/zinc/85/29/67/358852967.db2.gz IXZLIABVPNXCAQ-HZSPNIEDSA-N 2 1 241.423 1.645 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000054111221 358852969 /nfs/dbraw/zinc/85/29/69/358852969.db2.gz IXZLIABVPNXCAQ-HZSPNIEDSA-N 2 1 241.423 1.645 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000054111221 358852971 /nfs/dbraw/zinc/85/29/71/358852971.db2.gz IXZLIABVPNXCAQ-HZSPNIEDSA-N 2 1 241.423 1.645 20 0 BDADMP CCN1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403434 358967850 /nfs/dbraw/zinc/96/78/50/358967850.db2.gz KFHRKPBVUXIHDM-WCQYABFASA-N 2 1 225.380 1.330 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086403434 358967853 /nfs/dbraw/zinc/96/78/53/358967853.db2.gz KFHRKPBVUXIHDM-WCQYABFASA-N 3 1 225.380 1.330 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423311022 192697403 /nfs/dbraw/zinc/69/74/03/192697403.db2.gz OWSNKIGPKQGVCU-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]C1CCN(C)CC1)c1cnccn1 ZINC000070024967 359039180 /nfs/dbraw/zinc/03/91/80/359039180.db2.gz LSSVSEAAJNLHRO-SNVBAGLBSA-N 2 1 220.320 1.221 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000423323217 192706774 /nfs/dbraw/zinc/70/67/74/192706774.db2.gz ADSCUGKTQLSWOY-AGIUHOORSA-N 3 1 225.380 1.093 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)CC[N@@H+]1C ZINC000246561891 359146489 /nfs/dbraw/zinc/14/64/89/359146489.db2.gz XFAPHODHPWZOMX-FRRDWIJNSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)CC[N@H+]1C ZINC000246561891 359146494 /nfs/dbraw/zinc/14/64/94/359146494.db2.gz XFAPHODHPWZOMX-FRRDWIJNSA-N 2 1 242.407 1.856 20 0 BDADMP CSCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248002161 359251438 /nfs/dbraw/zinc/25/14/38/359251438.db2.gz KNHOPYAVEAHOOQ-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CSCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248002161 359251442 /nfs/dbraw/zinc/25/14/42/359251442.db2.gz KNHOPYAVEAHOOQ-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CSCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248002161 359251445 /nfs/dbraw/zinc/25/14/45/359251445.db2.gz KNHOPYAVEAHOOQ-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCO3)CC[C@H]21 ZINC000248169036 359257300 /nfs/dbraw/zinc/25/73/00/359257300.db2.gz UJLSIAXTIPBZTK-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCO3)CC[C@H]21 ZINC000248169036 359257304 /nfs/dbraw/zinc/25/73/04/359257304.db2.gz UJLSIAXTIPBZTK-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCO3)CC[C@H]21 ZINC000248169036 359257308 /nfs/dbraw/zinc/25/73/08/359257308.db2.gz UJLSIAXTIPBZTK-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCO)C1 ZINC000248334213 359264005 /nfs/dbraw/zinc/26/40/05/359264005.db2.gz FZYNBBLUFJVSEY-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCO)C1 ZINC000248334213 359264009 /nfs/dbraw/zinc/26/40/09/359264009.db2.gz FZYNBBLUFJVSEY-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCO)C1 ZINC000248334213 359264013 /nfs/dbraw/zinc/26/40/13/359264013.db2.gz FZYNBBLUFJVSEY-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCO)C1 ZINC000248334213 359264017 /nfs/dbraw/zinc/26/40/17/359264017.db2.gz FZYNBBLUFJVSEY-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423380366 192756033 /nfs/dbraw/zinc/75/60/33/192756033.db2.gz YNBRQERSZDUVFZ-UFBFGSQYSA-N 2 1 208.280 1.750 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC1(C)C ZINC000623451889 359348169 /nfs/dbraw/zinc/34/81/69/359348169.db2.gz OOWWMAXRLKTPIR-XQQFMLRXSA-N 2 1 238.375 1.386 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@H]1C ZINC000423482763 192790050 /nfs/dbraw/zinc/79/00/50/192790050.db2.gz QYMNPKHECVGNOT-YTWAJWBKSA-N 2 1 232.318 1.865 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000379606439 359565830 /nfs/dbraw/zinc/56/58/30/359565830.db2.gz QPINURAOYSMURU-JTQLQIEISA-N 2 1 200.301 1.420 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000379606439 359565834 /nfs/dbraw/zinc/56/58/34/359565834.db2.gz QPINURAOYSMURU-JTQLQIEISA-N 2 1 200.301 1.420 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450797388 202268916 /nfs/dbraw/zinc/26/89/16/202268916.db2.gz XJZPEEXXRBBSOF-BETUJISGSA-N 2 1 247.342 1.087 20 0 BDADMP CCc1nc(N[C@@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000045955279 359746961 /nfs/dbraw/zinc/74/69/61/359746961.db2.gz FJTPWDCRJWITCM-SNVBAGLBSA-N 2 1 220.320 1.511 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)CC[N@H+]1C ZINC000163311427 202368478 /nfs/dbraw/zinc/36/84/78/202368478.db2.gz IJRAFNAJZQNJDI-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CCC[NH+](CC)CC ZINC000451161795 202368562 /nfs/dbraw/zinc/36/85/62/202368562.db2.gz ZYXOYGCRAKQAOH-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP Cl/C=C/C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000306428468 359880389 /nfs/dbraw/zinc/88/03/89/359880389.db2.gz MNNJPZHGFUAFRZ-NEXJUCSLSA-N 2 1 200.713 1.423 20 0 BDADMP Cl/C=C/C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000306428468 359880390 /nfs/dbraw/zinc/88/03/90/359880390.db2.gz MNNJPZHGFUAFRZ-NEXJUCSLSA-N 2 1 200.713 1.423 20 0 BDADMP C(C[N@H+]1CCC[C@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000087771419 359926486 /nfs/dbraw/zinc/92/64/86/359926486.db2.gz XYLYITNETPZYED-ZIAGYGMSSA-N 2 1 237.391 1.156 20 0 BDADMP CCc1cc(N2CCC(C[NH2+]C)CC2)nc(C)[nH+]1 ZINC000088760609 359977572 /nfs/dbraw/zinc/97/75/72/359977572.db2.gz UINKCVWIUUKSFZ-UHFFFAOYSA-N 2 1 248.374 1.783 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089147962 359993148 /nfs/dbraw/zinc/99/31/48/359993148.db2.gz GJSFYLZRJJHUBJ-GXTWGEPZSA-N 3 1 239.407 1.578 20 0 BDADMP CN(C)c1nc(N[C@@H]2CCCC[C@H]2C[NH3+])cc[nH+]1 ZINC000089108943 359990757 /nfs/dbraw/zinc/99/07/57/359990757.db2.gz UUKMZBHMTYOKCP-WDEREUQCSA-N 2 1 249.362 1.472 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662444 360122380 /nfs/dbraw/zinc/12/23/80/360122380.db2.gz UTXWBWGSZFAQSM-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662444 360122382 /nfs/dbraw/zinc/12/23/82/360122382.db2.gz UTXWBWGSZFAQSM-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414938327 200784461 /nfs/dbraw/zinc/78/44/61/200784461.db2.gz FDOQVKOVIQXHGX-NSHDSACASA-N 2 1 226.364 1.663 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000629407373 361055877 /nfs/dbraw/zinc/05/58/77/361055877.db2.gz ZKRGLYUWHCVYAU-NILFDRSVSA-N 2 1 230.355 1.884 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629521539 361117892 /nfs/dbraw/zinc/11/78/92/361117892.db2.gz UNWBEGUBEMZCSA-KGYLQXTDSA-N 2 1 226.364 1.471 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629512103 361106024 /nfs/dbraw/zinc/10/60/24/361106024.db2.gz ALCOHNMKHTXNPE-DGAVXFQQSA-N 2 1 249.402 1.249 20 0 BDADMP Cc1cccc2c1C[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])CO2 ZINC000629515935 361110250 /nfs/dbraw/zinc/11/02/50/361110250.db2.gz YOPYWDQCAHZVHD-UBHSHLNASA-N 2 1 246.354 1.768 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629515947 361110297 /nfs/dbraw/zinc/11/02/97/361110297.db2.gz WQKCURUHOVFGIP-FPMFFAJLSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])C1CC1 ZINC000629512927 361110465 /nfs/dbraw/zinc/11/04/65/361110465.db2.gz JOZYYKUDVFAQFE-GFCCVEGCSA-N 2 1 228.380 1.718 20 0 BDADMP CCC[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OCC ZINC000629514984 361112447 /nfs/dbraw/zinc/11/24/47/361112447.db2.gz OIFTUPGVMQFOHJ-AGIUHOORSA-N 2 1 228.380 1.922 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OCC ZINC000629514988 361112765 /nfs/dbraw/zinc/11/27/65/361112765.db2.gz OIFTUPGVMQFOHJ-RWMBFGLXSA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cn1cccn1 ZINC000629526906 361131814 /nfs/dbraw/zinc/13/18/14/361131814.db2.gz CZHNJCGMRPHPRZ-SDDRHHMPSA-N 2 1 222.336 1.002 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629528207 361133046 /nfs/dbraw/zinc/13/30/46/361133046.db2.gz SKTPEZBYDVJPEQ-XHJNMGKDSA-N 2 1 237.391 1.105 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629528204 361133054 /nfs/dbraw/zinc/13/30/54/361133054.db2.gz SKTPEZBYDVJPEQ-MQLXINIDSA-N 2 1 237.391 1.105 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000629528165 361133148 /nfs/dbraw/zinc/13/31/48/361133148.db2.gz QZRDXIKTXBVWHA-RNWYCLNJSA-N 2 1 212.337 1.282 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000629532306 361151360 /nfs/dbraw/zinc/15/13/60/361151360.db2.gz UVKKJMIJNWKQRS-BFHYXJOUSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000629526149 361127959 /nfs/dbraw/zinc/12/79/59/361127959.db2.gz LQBOZUYVGBGXHT-ZOBORPQBSA-N 2 1 239.407 1.447 20 0 BDADMP CCSCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000158579668 361205650 /nfs/dbraw/zinc/20/56/50/361205650.db2.gz JGFHZTVZSZUCKB-MNOVXSKESA-N 2 1 216.394 1.799 20 0 BDADMP CCSCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000158579668 361205654 /nfs/dbraw/zinc/20/56/54/361205654.db2.gz JGFHZTVZSZUCKB-MNOVXSKESA-N 2 1 216.394 1.799 20 0 BDADMP C[C@H](C[NH3+])[N@H+](C)CCCOCC(F)(F)F ZINC000158509985 361200091 /nfs/dbraw/zinc/20/00/91/361200091.db2.gz DGJNJDKCRBYEPQ-MRVPVSSYSA-N 2 1 228.258 1.234 20 0 BDADMP C[C@H](C[NH3+])[N@@H+](C)CCCOCC(F)(F)F ZINC000158509985 361200097 /nfs/dbraw/zinc/20/00/97/361200097.db2.gz DGJNJDKCRBYEPQ-MRVPVSSYSA-N 2 1 228.258 1.234 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000579225130 366736871 /nfs/dbraw/zinc/73/68/71/366736871.db2.gz FYPQRTIGVRTUIQ-STQMWFEESA-N 2 1 227.396 1.447 20 0 BDADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc2n(n1)CCC2 ZINC000622044303 370675370 /nfs/dbraw/zinc/67/53/70/370675370.db2.gz AKPCBVHBDVZPCD-VHSXEESVSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000579353401 366766744 /nfs/dbraw/zinc/76/67/44/366766744.db2.gz AXKJBCSZWLLIHJ-MNOVXSKESA-N 2 1 246.358 1.789 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cccnc2N)C[C@H]1C[NH3+] ZINC000629538993 361403401 /nfs/dbraw/zinc/40/34/01/361403401.db2.gz QQRVNNAUNGOZDJ-CMPLNLGQSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnc2N)C[C@H]1C[NH3+] ZINC000629538993 361403404 /nfs/dbraw/zinc/40/34/04/361403404.db2.gz QQRVNNAUNGOZDJ-CMPLNLGQSA-N 2 1 234.347 1.081 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000629534718 361408782 /nfs/dbraw/zinc/40/87/82/361408782.db2.gz AYTVTPFZCVZAMX-NWDGAFQWSA-N 2 1 228.380 1.765 20 0 BDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544070 361421857 /nfs/dbraw/zinc/42/18/57/361421857.db2.gz GHYXZVJWHSVCQZ-NWDGAFQWSA-N 2 1 235.331 1.537 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1c[nH+]ccc1N ZINC000629546040 361428109 /nfs/dbraw/zinc/42/81/09/361428109.db2.gz FOWVBUBIYQUAGI-PXWWUCIGSA-N 2 1 247.342 1.712 20 0 BDADMP CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547102 361430904 /nfs/dbraw/zinc/43/09/04/361430904.db2.gz JJMHWEGRRUUNEJ-ZOBORPQBSA-N 2 1 238.375 1.674 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547558 361431733 /nfs/dbraw/zinc/43/17/33/361431733.db2.gz ITFQRZKYGONTKG-SDDRHHMPSA-N 2 1 214.353 1.388 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000629548538 361434295 /nfs/dbraw/zinc/43/42/95/361434295.db2.gz PTNUQWNZLLQLKZ-ZDEQEGDKSA-N 2 1 225.380 1.057 20 0 BDADMP CC[C@H]([NH2+]CCN(C)CC(F)F)[C@@H]1CCC[NH2+]1 ZINC000629554929 361436549 /nfs/dbraw/zinc/43/65/49/361436549.db2.gz OTYNIBLDAKMKNU-QWRGUYRKSA-N 2 1 249.349 1.304 20 0 BDADMP CC(C)CO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000629553266 361437302 /nfs/dbraw/zinc/43/73/02/361437302.db2.gz DQIBDXLGZXXUFI-AGIUHOORSA-N 2 1 240.391 1.778 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000629572414 361463882 /nfs/dbraw/zinc/46/38/82/361463882.db2.gz SENKAPNFJMLXKY-HZSPNIEDSA-N 2 1 240.391 1.590 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC1CC=CC1 ZINC000629572303 361463915 /nfs/dbraw/zinc/46/39/15/361463915.db2.gz PZCUIKLZUCHJON-UHFFFAOYSA-N 2 1 212.337 1.120 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+](C)CCOCC[NH3+] ZINC000629578837 361465191 /nfs/dbraw/zinc/46/51/91/361465191.db2.gz VKLYFDKSEUFOLW-LLVKDONJSA-N 2 1 223.320 1.050 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000629581075 361471491 /nfs/dbraw/zinc/47/14/91/361471491.db2.gz MGUNGCHMMHSQPF-CHWSQXEVSA-N 2 1 228.380 1.720 20 0 BDADMP Oc1cccc2c1CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000629581802 361472035 /nfs/dbraw/zinc/47/20/35/361472035.db2.gz GYJAUXYBMJOWIW-NSHDSACASA-N 2 1 232.327 1.360 20 0 BDADMP Oc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000629581802 361472040 /nfs/dbraw/zinc/47/20/40/361472040.db2.gz GYJAUXYBMJOWIW-NSHDSACASA-N 2 1 232.327 1.360 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)CCOC)[NH+]1CCCC1 ZINC000151711565 201175155 /nfs/dbraw/zinc/17/51/55/201175155.db2.gz ZHRBJMVGNRCRCZ-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@@H+](Cc1ccn(C)c1)C1CC[NH2+]CC1 ZINC000629651915 361557542 /nfs/dbraw/zinc/55/75/42/361557542.db2.gz OOYPMCFWUUWSSG-UHFFFAOYSA-N 2 1 235.375 1.989 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccn(C)c1 ZINC000629646815 361535394 /nfs/dbraw/zinc/53/53/94/361535394.db2.gz FKIVJTRKMXXCJF-ZYHUDNBSSA-N 2 1 207.321 1.194 20 0 BDADMP CN(Cc1nccn1C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152387479 201198649 /nfs/dbraw/zinc/19/86/49/201198649.db2.gz SQSRKYSZYDSRFU-GFCCVEGCSA-N 2 1 236.363 1.194 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629655567 361560080 /nfs/dbraw/zinc/56/00/80/361560080.db2.gz ZTMOBAVEBBUPDG-QNWHQSFQSA-N 2 1 225.380 1.105 20 0 BDADMP C1=C(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)COCC1 ZINC000629655370 361560512 /nfs/dbraw/zinc/56/05/12/361560512.db2.gz VNWWMRLYDPOJMD-CHWSQXEVSA-N 2 1 222.332 1.017 20 0 BDADMP C1=C(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)COCC1 ZINC000629655370 361560518 /nfs/dbraw/zinc/56/05/18/361560518.db2.gz VNWWMRLYDPOJMD-CHWSQXEVSA-N 2 1 222.332 1.017 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648481 361540855 /nfs/dbraw/zinc/54/08/55/361540855.db2.gz PCWWUCKCESPWID-AAEUAGOBSA-N 2 1 221.348 1.442 20 0 BDADMP C[C@H]1CC[N@@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648569 361541337 /nfs/dbraw/zinc/54/13/37/361541337.db2.gz RBHWPXBGKKKSGC-WCQYABFASA-N 2 1 224.348 1.250 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000629649054 361543171 /nfs/dbraw/zinc/54/31/71/361543171.db2.gz GNYOCHDYZFVCRE-MNOVXSKESA-N 2 1 232.327 1.788 20 0 BDADMP COCc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])o1 ZINC000629650156 361547582 /nfs/dbraw/zinc/54/75/82/361547582.db2.gz PMKCULBXFOSYAG-UWVGGRQHSA-N 2 1 226.320 1.641 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1ccn(C)c1)CC[NH2+]CC2 ZINC000629650350 361547644 /nfs/dbraw/zinc/54/76/44/361547644.db2.gz SBSQLNGACHTVMZ-ZDUSSCGKSA-N 2 1 247.386 1.989 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000629652672 361551360 /nfs/dbraw/zinc/55/13/60/361551360.db2.gz BWNQORUICKRRMX-ZIAGYGMSSA-N 2 1 242.407 1.981 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3=CCCOC3)C[C@@H]21 ZINC000629646704 361532949 /nfs/dbraw/zinc/53/29/49/361532949.db2.gz CHBGIHXVFWPJEL-MELADBBJSA-N 2 1 236.359 1.392 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCOCC)CC1 ZINC000152299474 201195116 /nfs/dbraw/zinc/19/51/16/201195116.db2.gz BKIIATOHIUFVIZ-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629662981 361595493 /nfs/dbraw/zinc/59/54/93/361595493.db2.gz FPXUJDBSXXGOSC-OKILXGFUSA-N 2 1 240.391 1.590 20 0 BDADMP CC[C@@H]1[C@H](CO)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000448549295 201218818 /nfs/dbraw/zinc/21/88/18/201218818.db2.gz FQVIVCMGVDDMHA-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1[C@H](CO)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000448549295 201218821 /nfs/dbraw/zinc/21/88/21/201218821.db2.gz FQVIVCMGVDDMHA-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000434671575 201231404 /nfs/dbraw/zinc/23/14/04/201231404.db2.gz IMCNOUKNDVXQMA-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000309978845 491159294 /nfs/dbraw/zinc/15/92/94/491159294.db2.gz VGKXQSOYJNQDFK-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP CC[N@@H+](CC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000435396080 201267065 /nfs/dbraw/zinc/26/70/65/201267065.db2.gz WNLHISLRGODYBJ-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000154258375 201271206 /nfs/dbraw/zinc/27/12/06/201271206.db2.gz BIXZCCIVSOGIAA-NOOOWODRSA-N 2 1 246.420 1.029 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000154258375 201271209 /nfs/dbraw/zinc/27/12/09/201271209.db2.gz BIXZCCIVSOGIAA-NOOOWODRSA-N 2 1 246.420 1.029 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000154558360 201283946 /nfs/dbraw/zinc/28/39/46/201283946.db2.gz ANAPOPCTAAQWFF-PWSUYJOCSA-N 2 1 241.379 1.103 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161932710 201304436 /nfs/dbraw/zinc/30/44/36/201304436.db2.gz JPOITCUOWQMBAR-GMTAPVOTSA-N 2 1 216.394 1.810 20 0 BDADMP CCN(CC[NH3+])c1cc[nH+]c(N2CCCCC2)n1 ZINC000630522976 364206527 /nfs/dbraw/zinc/20/65/27/364206527.db2.gz CZPMQVSAVLNBQB-UHFFFAOYSA-N 2 1 249.362 1.252 20 0 BDADMP CC[NH+](CC)Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000630596484 364310375 /nfs/dbraw/zinc/31/03/75/364310375.db2.gz OPEWHDLZPIIDKC-GFCCVEGCSA-N 2 1 237.351 1.044 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2C)C[NH2+]1 ZINC000398994712 364666949 /nfs/dbraw/zinc/66/69/49/364666949.db2.gz NYJFYALVTUUGMT-WISYIIOYSA-N 2 1 212.337 1.142 20 0 BDADMP COC1(C[NH2+][C@H]2CC[C@H](C)NC2)CCCC1 ZINC000399072723 364780643 /nfs/dbraw/zinc/78/06/43/364780643.db2.gz OJMGZNQCWFRERR-RYUDHWBXSA-N 2 1 226.364 1.676 20 0 BDADMP COC1(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCCC1 ZINC000399072723 364780647 /nfs/dbraw/zinc/78/06/47/364780647.db2.gz OJMGZNQCWFRERR-RYUDHWBXSA-N 2 1 226.364 1.676 20 0 BDADMP C[N@@H+](C[C@H]1CCCC[C@@H]1O)CC(C)(C)C[NH3+] ZINC000328191093 364817061 /nfs/dbraw/zinc/81/70/61/364817061.db2.gz PKWHZRJNKJCTCF-NEPJUHHUSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000328533581 364869104 /nfs/dbraw/zinc/86/91/04/364869104.db2.gz ZCNUTKSFCHQFGP-LPWJVIDDSA-N 2 1 226.364 1.207 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000573641233 364882276 /nfs/dbraw/zinc/88/22/76/364882276.db2.gz HPAJNSDRJLUCST-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000573914377 364943976 /nfs/dbraw/zinc/94/39/76/364943976.db2.gz ZUUZRLAKCDFDRH-MGPQQGTHSA-N 2 1 242.407 1.713 20 0 BDADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250686005 541440257 /nfs/dbraw/zinc/44/02/57/541440257.db2.gz FHJANRABLLOVGM-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP CC[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000574440886 365062530 /nfs/dbraw/zinc/06/25/30/365062530.db2.gz PLLZPFDOANPWRD-NWDGAFQWSA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+]CCNc1cc[nH+]cc1Br ZINC000135100592 181398190 /nfs/dbraw/zinc/39/81/90/181398190.db2.gz CDBSINAEZIOUSO-UHFFFAOYSA-N 2 1 216.082 1.215 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000574845648 365158349 /nfs/dbraw/zinc/15/83/49/365158349.db2.gz HXXFXQRORCVPFG-ZIAGYGMSSA-N 2 1 241.423 1.458 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443070173 193012219 /nfs/dbraw/zinc/01/22/19/193012219.db2.gz KUSGPTVZBVOCLG-GFCCVEGCSA-N 2 1 233.359 1.830 20 0 BDADMP CCCc1[nH+]ccn1C[C@H](O)C[N@H+](C)C(C)C ZINC000379889844 365338336 /nfs/dbraw/zinc/33/83/36/365338336.db2.gz FSTDUYHGDDKMTE-GFCCVEGCSA-N 2 1 239.363 1.537 20 0 BDADMP CCCc1[nH+]ccn1C[C@H](O)C[N@@H+](C)C(C)C ZINC000379889844 365338339 /nfs/dbraw/zinc/33/83/39/365338339.db2.gz FSTDUYHGDDKMTE-GFCCVEGCSA-N 2 1 239.363 1.537 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192457929 365382218 /nfs/dbraw/zinc/38/22/18/365382218.db2.gz KKXDPIRBLHZGIG-FZMZJTMJSA-N 2 1 238.375 1.628 20 0 BDADMP C(C[NH2+]C[C@@H]1CCCOC1)C[NH+]1CCC1 ZINC000576172659 365509968 /nfs/dbraw/zinc/50/99/68/365509968.db2.gz TYVUGTIHMIFSCP-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000157550039 541489005 /nfs/dbraw/zinc/48/90/05/541489005.db2.gz MXMPHEBCPCSQRV-QJPTWQEYSA-N 2 1 226.364 1.362 20 0 BDADMP COCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702452 367140946 /nfs/dbraw/zinc/14/09/46/367140946.db2.gz ZRNOQLKCFAGNSP-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000580963190 367221468 /nfs/dbraw/zinc/22/14/68/367221468.db2.gz OXYGDDSFEHQXJP-CHWSQXEVSA-N 2 1 227.396 1.576 20 0 BDADMP CC[C@]1(C)CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000580897310 367201472 /nfs/dbraw/zinc/20/14/72/367201472.db2.gz KRYSHKHBYINUHI-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000581185121 367286645 /nfs/dbraw/zinc/28/66/45/367286645.db2.gz USUZIRSZLDISKV-JQWIXIFHSA-N 2 1 235.331 1.769 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2OCC)CC1 ZINC000381336797 367382503 /nfs/dbraw/zinc/38/25/03/367382503.db2.gz WADUHPIODOAILE-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP COC[C@@H](C)C[NH2+]CCCn1cc[nH+]c1C ZINC000381461618 367410724 /nfs/dbraw/zinc/41/07/24/367410724.db2.gz LFNXSEGYGUSQLW-NSHDSACASA-N 2 1 225.336 1.454 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCCC1CC1)C1CC1 ZINC000381249305 367370303 /nfs/dbraw/zinc/37/03/03/367370303.db2.gz NYDNVPGYGBMXGR-CYBMUJFWSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCC1CC1)C1CC1 ZINC000381249305 367370310 /nfs/dbraw/zinc/37/03/10/367370310.db2.gz NYDNVPGYGBMXGR-CYBMUJFWSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(CC)CCCC1 ZINC000382573169 367541789 /nfs/dbraw/zinc/54/17/89/367541789.db2.gz SQGLUNIRSGNBMI-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH+](C)CC1 ZINC000399134459 367646660 /nfs/dbraw/zinc/64/66/60/367646660.db2.gz PTEXZKSQKCBLTE-MBNYWOFBSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCOC1 ZINC000399161107 367707885 /nfs/dbraw/zinc/70/78/85/367707885.db2.gz CNOVILWUPCUPKS-WYUUTHIRSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCOC1 ZINC000399161093 367707083 /nfs/dbraw/zinc/70/70/83/367707083.db2.gz CNOVILWUPCUPKS-RHYQMDGZSA-N 2 1 212.337 1.142 20 0 BDADMP C[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC([NH3+])C1 ZINC000384725882 367722130 /nfs/dbraw/zinc/72/21/30/367722130.db2.gz ACOXJOUKMCBVLQ-IDKOKCKLSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000384928415 367760477 /nfs/dbraw/zinc/76/04/77/367760477.db2.gz SAUCFQCVIQKJKZ-AGIUHOORSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+](CCOc1ccccc1)C1CC([NH3+])C1 ZINC000384970093 367767710 /nfs/dbraw/zinc/76/77/10/367767710.db2.gz IJAWGWIQKZQLMC-UHFFFAOYSA-N 2 1 220.316 1.487 20 0 BDADMP C[N@@H+](CCCOc1ccccc1)C1CC([NH3+])C1 ZINC000384973778 367768689 /nfs/dbraw/zinc/76/86/89/367768689.db2.gz IRCMXKQLYPIUIT-UHFFFAOYSA-N 2 1 234.343 1.877 20 0 BDADMP COC(=O)c1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000384979856 367768738 /nfs/dbraw/zinc/76/87/38/367768738.db2.gz YZCHPRUEJUMBPE-UHFFFAOYSA-N 2 1 248.326 1.395 20 0 BDADMP COC(=O)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000384979856 367768742 /nfs/dbraw/zinc/76/87/42/367768742.db2.gz YZCHPRUEJUMBPE-UHFFFAOYSA-N 2 1 248.326 1.395 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H](C)O1 ZINC000385124980 367796813 /nfs/dbraw/zinc/79/68/13/367796813.db2.gz KNGDVNSQPPHEJB-JTNHKYCSSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2nccs2)CC[NH2+]1 ZINC000387300635 368144545 /nfs/dbraw/zinc/14/45/45/368144545.db2.gz NIJPGSMRTAFDJL-MNOVXSKESA-N 2 1 239.388 1.963 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cscn1 ZINC000060526720 368546146 /nfs/dbraw/zinc/54/61/46/368546146.db2.gz WLZOVRKGZXERCG-UHFFFAOYSA-N 2 1 236.344 1.828 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000085579486 368867359 /nfs/dbraw/zinc/86/73/59/368867359.db2.gz KDJRWEPWSXUEDT-ZDUSSCGKSA-N 2 1 221.348 1.835 20 0 BDADMP [NH3+][C@H]1CCC[C@H](NCC[NH+]2CCCCC2)C1 ZINC000086403685 368880396 /nfs/dbraw/zinc/88/03/96/368880396.db2.gz JBSXVYPGKVWMEN-STQMWFEESA-N 2 1 225.380 1.332 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000623655168 368989745 /nfs/dbraw/zinc/98/97/45/368989745.db2.gz PZGJGCMXJNCTEA-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000623655168 368989749 /nfs/dbraw/zinc/98/97/49/368989749.db2.gz PZGJGCMXJNCTEA-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP Cn1cncc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655725 368991559 /nfs/dbraw/zinc/99/15/59/368991559.db2.gz CVEUZEZZWJZIIN-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1cncc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655725 368991563 /nfs/dbraw/zinc/99/15/63/368991563.db2.gz CVEUZEZZWJZIIN-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000631838711 369122606 /nfs/dbraw/zinc/12/26/06/369122606.db2.gz TXUDBDPKQUAAEV-ZYHUDNBSSA-N 2 1 205.305 1.108 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000459381989 203272170 /nfs/dbraw/zinc/27/21/70/203272170.db2.gz DSEPGZQTUUABNF-GFCCVEGCSA-N 2 1 239.363 1.349 20 0 BDADMP CCOC[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000459452930 203284137 /nfs/dbraw/zinc/28/41/37/203284137.db2.gz BZULMDAXQGSYHP-CYBMUJFWSA-N 2 1 239.363 1.613 20 0 BDADMP C[C@@H](F)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459595709 203312864 /nfs/dbraw/zinc/31/28/64/203312864.db2.gz SZFGJNGXDXFKJJ-SNVBAGLBSA-N 2 1 214.328 1.951 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404397465 369428167 /nfs/dbraw/zinc/42/81/67/369428167.db2.gz PKUFRTQSBVFXPM-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@H](Cc1[nH]cc[nH+]1)OCC[C@@H]1CC[NH2+]C1 ZINC000567810839 326261120 /nfs/dbraw/zinc/26/11/20/326261120.db2.gz JJYKOFHTHBWDSJ-MNOVXSKESA-N 2 1 223.320 1.357 20 0 BDADMP CCOC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459744944 203349831 /nfs/dbraw/zinc/34/98/31/203349831.db2.gz YHIOPOJZWAZBRZ-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP COC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459783430 203345328 /nfs/dbraw/zinc/34/53/28/203345328.db2.gz NDWKDOYFNMFGDC-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000459736638 203347661 /nfs/dbraw/zinc/34/76/61/203347661.db2.gz QCSREBZNIGJZRA-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cncs2)C1 ZINC000459738595 203349032 /nfs/dbraw/zinc/34/90/32/203349032.db2.gz RYNJINHWUGEBSA-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621372117 370309210 /nfs/dbraw/zinc/30/92/10/370309210.db2.gz PMPRXSGNPJCRQE-KGLIPLIRSA-N 2 1 242.407 1.669 20 0 BDADMP CCn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784987 370537791 /nfs/dbraw/zinc/53/77/91/370537791.db2.gz XMBJFRXFAAQWPT-GXTWGEPZSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1nccc1CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784987 370537792 /nfs/dbraw/zinc/53/77/92/370537792.db2.gz XMBJFRXFAAQWPT-GXTWGEPZSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1nccc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000621775833 370523416 /nfs/dbraw/zinc/52/34/16/370523416.db2.gz ZWFPZYMXQPXLBX-JSGCOSHPSA-N 2 1 248.374 1.129 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000621775833 370523421 /nfs/dbraw/zinc/52/34/21/370523421.db2.gz ZWFPZYMXQPXLBX-JSGCOSHPSA-N 2 1 248.374 1.129 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C1CCC1 ZINC000621783443 370534004 /nfs/dbraw/zinc/53/40/04/370534004.db2.gz BLEFTWCKCUWDOQ-MGPQQGTHSA-N 2 1 238.375 1.615 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000623867089 371133911 /nfs/dbraw/zinc/13/39/11/371133911.db2.gz QQJQFOGHRXIEGW-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)=C[C@@H](C)C1 ZINC000568996935 326385535 /nfs/dbraw/zinc/38/55/35/326385535.db2.gz NWZZBGYWQXQSFX-DGCLKSJQSA-N 2 1 226.364 1.197 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)=C[C@@H](C)C1 ZINC000568996935 326385537 /nfs/dbraw/zinc/38/55/37/326385537.db2.gz NWZZBGYWQXQSFX-DGCLKSJQSA-N 2 1 226.364 1.197 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000568996935 326385538 /nfs/dbraw/zinc/38/55/38/326385538.db2.gz NWZZBGYWQXQSFX-DGCLKSJQSA-N 2 1 226.364 1.197 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000568996935 326385540 /nfs/dbraw/zinc/38/55/40/326385540.db2.gz NWZZBGYWQXQSFX-DGCLKSJQSA-N 2 1 226.364 1.197 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCCO1 ZINC000623928212 371156676 /nfs/dbraw/zinc/15/66/76/371156676.db2.gz HYZDGAVUUMICPG-TZMCWYRMSA-N 2 1 238.375 1.796 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624121031 371321654 /nfs/dbraw/zinc/32/16/54/371321654.db2.gz MCFQJCHQSUYFLK-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cn[nH]c1 ZINC000624123257 371324987 /nfs/dbraw/zinc/32/49/87/371324987.db2.gz ITGNAOGVVGEAAV-VXGBXAGGSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000624123257 371324991 /nfs/dbraw/zinc/32/49/91/371324991.db2.gz ITGNAOGVVGEAAV-VXGBXAGGSA-N 2 1 236.363 1.792 20 0 BDADMP C/C=C\C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624199110 371388532 /nfs/dbraw/zinc/38/85/32/371388532.db2.gz GZIFMKLDYAKZIU-XQJDBVBESA-N 2 1 224.348 1.405 20 0 BDADMP C/C=C/C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624199111 371388724 /nfs/dbraw/zinc/38/87/24/371388724.db2.gz GZIFMKLDYAKZIU-YWVDXFKGSA-N 2 1 224.348 1.405 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC)C2)[C@@H](C)C1 ZINC000624296579 371461701 /nfs/dbraw/zinc/46/17/01/371461701.db2.gz AXPANYWEQJLVID-ZDEQEGDKSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000631825477 372603429 /nfs/dbraw/zinc/60/34/29/372603429.db2.gz JZEIIXHJZPQYJK-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1cc(C)c(C[NH2+]CC2([NH3+])CCC2)c(C)n1 ZINC000631823904 372601811 /nfs/dbraw/zinc/60/18/11/372601811.db2.gz QDDLJWAPNRWECE-UHFFFAOYSA-N 2 1 233.359 1.978 20 0 BDADMP C[N@@H+](Cc1cccc2c1CCOC2)C1CC([NH3+])C1 ZINC000631826788 372606565 /nfs/dbraw/zinc/60/65/65/372606565.db2.gz WUCHOEHUPWEDOO-UHFFFAOYSA-N 2 1 246.354 1.681 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000631836562 372625240 /nfs/dbraw/zinc/62/52/40/372625240.db2.gz BQFTVEGYSRKJKO-BXKDBHETSA-N 2 1 234.347 1.120 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000631836562 372625242 /nfs/dbraw/zinc/62/52/42/372625242.db2.gz BQFTVEGYSRKJKO-BXKDBHETSA-N 2 1 234.347 1.120 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000631837516 372627820 /nfs/dbraw/zinc/62/78/20/372627820.db2.gz CEWDDEQFVRYMPW-VXGBXAGGSA-N 2 1 219.332 1.417 20 0 BDADMP Cc1ccc(CC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000631860048 372659010 /nfs/dbraw/zinc/65/90/10/372659010.db2.gz GQCAREADYREEEB-JSGCOSHPSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ccc(CC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000631860048 372659017 /nfs/dbraw/zinc/65/90/17/372659017.db2.gz GQCAREADYREEEB-JSGCOSHPSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ncsc1CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840332 372636962 /nfs/dbraw/zinc/63/69/62/372636962.db2.gz RMXGIDPUNDRNSU-MWLCHTKSSA-N 2 1 239.388 1.521 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000631825664 372604324 /nfs/dbraw/zinc/60/43/24/372604324.db2.gz PRYDAARSQUYYAD-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)CC[C@@H]1[NH3+] ZINC000631824808 372604418 /nfs/dbraw/zinc/60/44/18/372604418.db2.gz QTTPCWQSEHPCJK-RNJOBUHISA-N 2 1 226.364 1.471 20 0 BDADMP FCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631891133 372675537 /nfs/dbraw/zinc/67/55/37/372675537.db2.gz WDHSFMQTZTVAFX-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP FCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631891133 372675542 /nfs/dbraw/zinc/67/55/42/372675542.db2.gz WDHSFMQTZTVAFX-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887268 372681641 /nfs/dbraw/zinc/68/16/41/372681641.db2.gz PQJOQTVNIPVNKE-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP COCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888683 372685092 /nfs/dbraw/zinc/68/50/92/372685092.db2.gz YTWMZQUCGUCXQA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888683 372685097 /nfs/dbraw/zinc/68/50/97/372685097.db2.gz YTWMZQUCGUCXQA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631890963 372686464 /nfs/dbraw/zinc/68/64/64/372686464.db2.gz WQSZCBMZYAXXFL-TZMCWYRMSA-N 2 1 231.343 1.656 20 0 BDADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631890963 372686470 /nfs/dbraw/zinc/68/64/70/372686470.db2.gz WQSZCBMZYAXXFL-TZMCWYRMSA-N 2 1 231.343 1.656 20 0 BDADMP CC1(C)C[N@H+](Cc2ccccc2)C[C@@H]1N ZINC000038531487 372695173 /nfs/dbraw/zinc/69/51/73/372695173.db2.gz CHADVKSJJSWYMX-LBPRGKRZSA-N 2 1 204.317 1.856 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414961254 205794758 /nfs/dbraw/zinc/79/47/58/205794758.db2.gz YRGGMINVWWCHLM-VHSXEESVSA-N 2 1 239.388 1.936 20 0 BDADMP Cc1c[nH+]cn1Cc1nc(C2([NH3+])CCCC2)no1 ZINC000634555648 374311280 /nfs/dbraw/zinc/31/12/80/374311280.db2.gz PVYSPCPOHQMQGU-UHFFFAOYSA-N 2 1 247.302 1.351 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cnn(C)c1 ZINC000424369456 206038792 /nfs/dbraw/zinc/03/87/92/206038792.db2.gz BVFVMJKHHBFLRX-MVWJERBFSA-N 2 1 222.336 1.341 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429022530 206060516 /nfs/dbraw/zinc/06/05/16/206060516.db2.gz BVSMMQPPXNMJPJ-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCCCOCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429022530 206060520 /nfs/dbraw/zinc/06/05/20/206060520.db2.gz BVSMMQPPXNMJPJ-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCCCOCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429022530 206060525 /nfs/dbraw/zinc/06/05/25/206060525.db2.gz BVSMMQPPXNMJPJ-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCOC1 ZINC000156880171 206077103 /nfs/dbraw/zinc/07/71/03/206077103.db2.gz MRENFTPBBKJRQZ-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCOC1 ZINC000156880171 206077107 /nfs/dbraw/zinc/07/71/07/206077107.db2.gz MRENFTPBBKJRQZ-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP CCOCCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000336683554 170382374 /nfs/dbraw/zinc/38/23/74/170382374.db2.gz JDNAHLIAEIQTLO-NSHDSACASA-N 2 1 202.342 1.376 20 0 BDADMP OCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694289 183049111 /nfs/dbraw/zinc/04/91/11/183049111.db2.gz UXOQXHXXIWVXKS-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP O[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000339786663 183191598 /nfs/dbraw/zinc/19/15/98/183191598.db2.gz HOJJGUVNXMNARH-CQSZACIVSA-N 2 1 240.391 1.709 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000226407720 169121570 /nfs/dbraw/zinc/12/15/70/169121570.db2.gz CMYCJHVSJLNNTL-NWDGAFQWSA-N 2 1 243.395 1.208 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000353073200 169130783 /nfs/dbraw/zinc/13/07/83/169130783.db2.gz ORMHYOQULKTYON-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000353073200 169130786 /nfs/dbraw/zinc/13/07/86/169130786.db2.gz ORMHYOQULKTYON-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000353073200 169130789 /nfs/dbraw/zinc/13/07/89/169130789.db2.gz ORMHYOQULKTYON-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994577 183289360 /nfs/dbraw/zinc/28/93/60/183289360.db2.gz KFQPOVRYBGCPDM-CQSZACIVSA-N 2 1 232.327 1.578 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994577 183289362 /nfs/dbraw/zinc/28/93/62/183289362.db2.gz KFQPOVRYBGCPDM-CQSZACIVSA-N 2 1 232.327 1.578 20 0 BDADMP CCC[N@@H+](CCC[NH3+])C[C@@H]1CCCCO1 ZINC000036230895 169155706 /nfs/dbraw/zinc/15/57/06/169155706.db2.gz SDXKAGMFKKRHPA-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP CCC[N@@H+](CCOC(C)C)C1CC[NH2+]CC1 ZINC000049260893 169169410 /nfs/dbraw/zinc/16/94/10/169169410.db2.gz OOURTDUWISKWAN-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000341898834 169190137 /nfs/dbraw/zinc/19/01/37/169190137.db2.gz UQNGRWHXWDTIPQ-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000341898834 169190139 /nfs/dbraw/zinc/19/01/39/169190139.db2.gz UQNGRWHXWDTIPQ-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000336495840 183327429 /nfs/dbraw/zinc/32/74/29/183327429.db2.gz NXTMTGNPGYLGME-CHWSQXEVSA-N 3 1 248.374 1.589 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCOC ZINC000336779517 169196974 /nfs/dbraw/zinc/19/69/74/169196974.db2.gz ONRUVLDRYVZTJP-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCOC ZINC000336779517 169196976 /nfs/dbraw/zinc/19/69/76/169196976.db2.gz ONRUVLDRYVZTJP-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)on1 ZINC000364516199 183340812 /nfs/dbraw/zinc/34/08/12/183340812.db2.gz BLYATLZKJAAHGY-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000335271346 183345915 /nfs/dbraw/zinc/34/59/15/183345915.db2.gz TWSGOGBHCVVRFV-OKILXGFUSA-N 2 1 231.343 1.513 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000309971153 169206931 /nfs/dbraw/zinc/20/69/31/169206931.db2.gz PNKGSILWNIUGRN-LBPRGKRZSA-N 2 1 226.364 1.344 20 0 BDADMP c1cc(C[NH2+]CCC[NH+]2CCCC2)ccn1 ZINC000020128962 183349933 /nfs/dbraw/zinc/34/99/33/183349933.db2.gz ZMHCQSIOYJEDGD-UHFFFAOYSA-N 2 1 219.332 1.657 20 0 BDADMP CCC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309458850 169364845 /nfs/dbraw/zinc/36/48/45/169364845.db2.gz RJRJCXCTQPEVDV-DGCLKSJQSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309458850 169364847 /nfs/dbraw/zinc/36/48/47/169364847.db2.gz RJRJCXCTQPEVDV-DGCLKSJQSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309458850 169364848 /nfs/dbraw/zinc/36/48/48/169364848.db2.gz RJRJCXCTQPEVDV-DGCLKSJQSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309458850 169364850 /nfs/dbraw/zinc/36/48/50/169364850.db2.gz RJRJCXCTQPEVDV-DGCLKSJQSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@@H](C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000225341209 134355002 /nfs/dbraw/zinc/35/50/02/134355002.db2.gz KHSBVDWQEVYCGD-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000225341209 134355003 /nfs/dbraw/zinc/35/50/03/134355003.db2.gz KHSBVDWQEVYCGD-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CCC(CC)C[N@@H+](C)CCOCC[NH3+] ZINC000301019967 383828180 /nfs/dbraw/zinc/82/81/80/383828180.db2.gz JQFFPIDKHBDNNG-UHFFFAOYSA-N 2 1 202.342 1.330 20 0 BDADMP C[C@]1(C[NH2+]Cc2cncs2)CCC[NH2+]C1 ZINC000131566479 383835969 /nfs/dbraw/zinc/83/59/69/383835969.db2.gz WJWHFQAJAHMGLC-NSHDSACASA-N 2 1 225.361 1.622 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309312756 383869553 /nfs/dbraw/zinc/86/95/53/383869553.db2.gz FMRDEDTUDKXRNO-OLZOCXBDSA-N 3 1 229.412 1.822 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309312756 383869560 /nfs/dbraw/zinc/86/95/60/383869560.db2.gz FMRDEDTUDKXRNO-OLZOCXBDSA-N 3 1 229.412 1.822 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)c1ccccn1)C[NH+](C)C ZINC000293836813 383869865 /nfs/dbraw/zinc/86/98/65/383869865.db2.gz WTGCVUIYSPJRIH-NEPJUHHUSA-N 2 1 221.348 1.930 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000313131326 383923654 /nfs/dbraw/zinc/92/36/54/383923654.db2.gz CAKGOTJRCRKNKN-VOAKCMCISA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000313131326 383923659 /nfs/dbraw/zinc/92/36/59/383923659.db2.gz CAKGOTJRCRKNKN-VOAKCMCISA-N 2 1 228.380 1.608 20 0 BDADMP C[N@H+](Cc1ccncc1)C1CC[NH2+]CC1 ZINC000036300884 383893364 /nfs/dbraw/zinc/89/33/64/383893364.db2.gz AQXWKLIXSVEMSZ-UHFFFAOYSA-N 2 1 205.305 1.265 20 0 BDADMP C[N@@H+](Cc1ccncc1)C1CC[NH2+]CC1 ZINC000036300884 383893373 /nfs/dbraw/zinc/89/33/73/383893373.db2.gz AQXWKLIXSVEMSZ-UHFFFAOYSA-N 2 1 205.305 1.265 20 0 BDADMP CC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414296 383976251 /nfs/dbraw/zinc/97/62/51/383976251.db2.gz LWJZDVZDGZUYGZ-RDBSUJKOSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414296 383976255 /nfs/dbraw/zinc/97/62/55/383976255.db2.gz LWJZDVZDGZUYGZ-RDBSUJKOSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414296 383976260 /nfs/dbraw/zinc/97/62/60/383976260.db2.gz LWJZDVZDGZUYGZ-RDBSUJKOSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414296 383976262 /nfs/dbraw/zinc/97/62/62/383976262.db2.gz LWJZDVZDGZUYGZ-RDBSUJKOSA-N 2 1 236.359 1.382 20 0 BDADMP CCSCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163141465 384005116 /nfs/dbraw/zinc/00/51/16/384005116.db2.gz JJZAOMFPFCVFCV-ZJUUUORDSA-N 2 1 202.367 1.409 20 0 BDADMP Cn1ccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000075133479 384038840 /nfs/dbraw/zinc/03/88/40/384038840.db2.gz BKFBNQPXDJAGHQ-UHFFFAOYSA-N 2 1 207.321 1.209 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CO1 ZINC000647217435 384040015 /nfs/dbraw/zinc/04/00/15/384040015.db2.gz QLBQEZWKHXXDGL-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP COC1(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)CCCC1 ZINC000319230002 384213813 /nfs/dbraw/zinc/21/38/13/384213813.db2.gz VBNXAYLFBAIROM-RYUDHWBXSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000132881969 384215382 /nfs/dbraw/zinc/21/53/82/384215382.db2.gz HQTRZPFBSBEPTJ-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000132881969 384215388 /nfs/dbraw/zinc/21/53/88/384215388.db2.gz HQTRZPFBSBEPTJ-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000132881969 384215394 /nfs/dbraw/zinc/21/53/94/384215394.db2.gz HQTRZPFBSBEPTJ-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132881969 384215400 /nfs/dbraw/zinc/21/54/00/384215400.db2.gz HQTRZPFBSBEPTJ-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000427973430 384257671 /nfs/dbraw/zinc/25/76/71/384257671.db2.gz QQBXGALIAWAKAU-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)oc1C ZINC000228474722 384257768 /nfs/dbraw/zinc/25/77/68/384257768.db2.gz OXPGAPWMRFQOPS-YNEHKIRRSA-N 2 1 249.358 1.851 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)oc1C ZINC000228474722 384257775 /nfs/dbraw/zinc/25/77/75/384257775.db2.gz OXPGAPWMRFQOPS-YNEHKIRRSA-N 2 1 249.358 1.851 20 0 BDADMP COC1(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CCCC1 ZINC000319525200 384259213 /nfs/dbraw/zinc/25/92/13/384259213.db2.gz ZMAQXUGLGQBFNS-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC000174218528 384305881 /nfs/dbraw/zinc/30/58/81/384305881.db2.gz BMYLVIBLLSEFOK-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOC)C1 ZINC000174219500 384307750 /nfs/dbraw/zinc/30/77/50/384307750.db2.gz NIFMGLIZMHVNQO-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[C@@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000133732260 384310913 /nfs/dbraw/zinc/31/09/13/384310913.db2.gz YVGTVZXNWNYTRN-GFCCVEGCSA-N 2 1 223.320 1.384 20 0 BDADMP CCOCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173919811 384286907 /nfs/dbraw/zinc/28/69/07/384286907.db2.gz WUXOEDFJLXNEBG-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000361214936 384298330 /nfs/dbraw/zinc/29/83/30/384298330.db2.gz HGWCZQSNAUHRKR-HZSPNIEDSA-N 2 1 240.391 1.467 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000095072563 384343428 /nfs/dbraw/zinc/34/34/28/384343428.db2.gz JQFIHNUESDYILQ-SECBINFHSA-N 2 1 211.334 1.314 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000095072563 384343432 /nfs/dbraw/zinc/34/34/32/384343432.db2.gz JQFIHNUESDYILQ-SECBINFHSA-N 2 1 211.334 1.314 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000228859976 384347355 /nfs/dbraw/zinc/34/73/55/384347355.db2.gz JKJUWQZSVRBYSR-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCSC2)CC1 ZINC000335600506 384370921 /nfs/dbraw/zinc/37/09/21/384370921.db2.gz DDKVNDVSAZEPKF-LBPRGKRZSA-N 2 1 226.389 1.734 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000556453765 384392487 /nfs/dbraw/zinc/39/24/87/384392487.db2.gz CLDZQYWLURAICC-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000556453765 384392494 /nfs/dbraw/zinc/39/24/94/384392494.db2.gz CLDZQYWLURAICC-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccn1C ZINC000050596244 384380072 /nfs/dbraw/zinc/38/00/72/384380072.db2.gz FTUQDVDQXNENGI-LLVKDONJSA-N 2 1 209.337 1.455 20 0 BDADMP CC(C)([NH3+])C[N@H+](CCO)CCc1ccccc1 ZINC000647516374 384463491 /nfs/dbraw/zinc/46/34/91/384463491.db2.gz KMHWMCLBEQFMFG-UHFFFAOYSA-N 2 1 236.359 1.261 20 0 BDADMP CC(C)([NH3+])C[N@@H+](CCO)CCc1ccccc1 ZINC000647516374 384463493 /nfs/dbraw/zinc/46/34/93/384463493.db2.gz KMHWMCLBEQFMFG-UHFFFAOYSA-N 2 1 236.359 1.261 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CCC[NH2+]CC1 ZINC000224608770 384477724 /nfs/dbraw/zinc/47/77/24/384477724.db2.gz SQZJOEKVRLIRFV-JTQLQIEISA-N 2 1 200.351 1.035 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224609900 384478411 /nfs/dbraw/zinc/47/84/11/384478411.db2.gz ALGJTEJIFNXTPV-MNOVXSKESA-N 2 1 214.378 1.410 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000398035762 384525327 /nfs/dbraw/zinc/52/53/27/384525327.db2.gz PRWMDXZPLHXYHC-STQMWFEESA-N 2 1 240.391 1.779 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151149610 384546483 /nfs/dbraw/zinc/54/64/83/384546483.db2.gz HDXXEGMXZACHTO-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000643056836 384557944 /nfs/dbraw/zinc/55/79/44/384557944.db2.gz ZDBYVPUTSRMIOG-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@@H]1C[NH3+] ZINC000643052371 384558622 /nfs/dbraw/zinc/55/86/22/384558622.db2.gz YGSVBOOIEOIESN-ZJUUUORDSA-N 2 1 245.330 1.379 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccncc1 ZINC000020121030 384577917 /nfs/dbraw/zinc/57/79/17/384577917.db2.gz RQATVKOIEMYSSI-NSHDSACASA-N 2 1 219.332 1.826 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000517935774 384581692 /nfs/dbraw/zinc/58/16/92/384581692.db2.gz FTTBYJYPPKJETH-BDAKNGLRSA-N 2 1 240.303 1.282 20 0 BDADMP Cc1nnsc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000309785678 384608871 /nfs/dbraw/zinc/60/88/71/384608871.db2.gz SMCKBGYYVPUGIS-SCZZXKLOSA-N 2 1 240.376 1.276 20 0 BDADMP CSCCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000300867124 384616168 /nfs/dbraw/zinc/61/61/68/384616168.db2.gz QCOIPHMYJMJLKO-NSHDSACASA-N 2 1 216.394 1.671 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC(O)C1 ZINC000084446292 384621902 /nfs/dbraw/zinc/62/19/02/384621902.db2.gz ABPQBBIGZHMTTR-KRDKVTMHSA-N 2 1 226.364 1.076 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000309809389 384637036 /nfs/dbraw/zinc/63/70/36/384637036.db2.gz TVRMEVCSVAESAC-DGCLKSJQSA-N 2 1 224.348 1.405 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)[C@@H]1CCOC1 ZINC000647534592 384645361 /nfs/dbraw/zinc/64/53/61/384645361.db2.gz RHIUNAJFMRWLPT-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)[C@@H]1CCOC1 ZINC000647534592 384645362 /nfs/dbraw/zinc/64/53/62/384645362.db2.gz RHIUNAJFMRWLPT-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049262557 384677009 /nfs/dbraw/zinc/67/70/09/384677009.db2.gz CNNOVNFCSBQOGR-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccncc1 ZINC000049712473 384680369 /nfs/dbraw/zinc/68/03/69/384680369.db2.gz AWBURCZOPHUUGQ-ZYHUDNBSSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccncc1 ZINC000049712473 384680383 /nfs/dbraw/zinc/68/03/83/384680383.db2.gz AWBURCZOPHUUGQ-ZYHUDNBSSA-N 2 1 205.305 1.393 20 0 BDADMP C[NH2+]C[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000086839891 384700365 /nfs/dbraw/zinc/70/03/65/384700365.db2.gz IMONXDKMTWUXKT-SECBINFHSA-N 2 1 225.723 1.781 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543233 384713125 /nfs/dbraw/zinc/71/31/25/384713125.db2.gz JTMPWXFWGRHZDY-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000336750797 384716278 /nfs/dbraw/zinc/71/62/78/384716278.db2.gz ZVMNIFBXRFQKPQ-FDYHWXHSSA-N 2 1 228.380 1.730 20 0 BDADMP C[C@]1(c2ccccc2)CC[N@@H+](CCOCC[NH3+])C1 ZINC000357075518 384776797 /nfs/dbraw/zinc/77/67/97/384776797.db2.gz NMTUNCKOTRLASZ-HNNXBMFYSA-N 2 1 248.370 1.625 20 0 BDADMP CC[NH+](CC)[C@@H](CNC(N)=[NH2+])c1ccccc1 ZINC000053278650 384778946 /nfs/dbraw/zinc/77/89/46/384778946.db2.gz YOSLMOCZDBBHMJ-LBPRGKRZSA-N 2 1 234.347 1.553 20 0 BDADMP FC1(F)CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000259007127 384736603 /nfs/dbraw/zinc/73/66/03/384736603.db2.gz XJJDGWDWBVESQN-SNVBAGLBSA-N 2 1 218.291 1.717 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)n1 ZINC000647551312 384755171 /nfs/dbraw/zinc/75/51/71/384755171.db2.gz GNEKNJOZTXFLBA-SMDDNHRTSA-N 2 1 233.359 1.520 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2c(s1)CCC2 ZINC000647552353 384757842 /nfs/dbraw/zinc/75/78/42/384757842.db2.gz UGDBLKZNQDRECE-BDAKNGLRSA-N 2 1 239.388 1.847 20 0 BDADMP CC[N@H+](C[C@@H]1CCCO1)CC(C)(C)[NH3+] ZINC000042471387 384816070 /nfs/dbraw/zinc/81/60/70/384816070.db2.gz DJUDCELLHOOOTO-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)CC(C)(C)[NH3+] ZINC000042471387 384816083 /nfs/dbraw/zinc/81/60/83/384816083.db2.gz DJUDCELLHOOOTO-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP CC(C)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310089022 384827563 /nfs/dbraw/zinc/82/75/63/384827563.db2.gz IIAPPNQYVFFQHF-GXTWGEPZSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310089022 384827569 /nfs/dbraw/zinc/82/75/69/384827569.db2.gz IIAPPNQYVFFQHF-GXTWGEPZSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310089022 384827573 /nfs/dbraw/zinc/82/75/73/384827573.db2.gz IIAPPNQYVFFQHF-GXTWGEPZSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310089022 384827580 /nfs/dbraw/zinc/82/75/80/384827580.db2.gz IIAPPNQYVFFQHF-GXTWGEPZSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000423358592 384833468 /nfs/dbraw/zinc/83/34/68/384833468.db2.gz BWUNWJBSYKKCDH-AXFHLTTASA-N 2 1 234.347 1.415 20 0 BDADMP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000423360025 384835918 /nfs/dbraw/zinc/83/59/18/384835918.db2.gz FEKHHSIMUTYGAX-TUAOUCFPSA-N 2 1 236.363 1.649 20 0 BDADMP CCSCC[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000308630333 384878695 /nfs/dbraw/zinc/87/86/95/384878695.db2.gz YPSWMULYNGKKNT-UHFFFAOYSA-N 2 1 214.378 1.591 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CO)CC1 ZINC000339754709 384881163 /nfs/dbraw/zinc/88/11/63/384881163.db2.gz UYMZUKKINSODCI-CQSZACIVSA-N 2 1 242.407 1.813 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000234800732 384844846 /nfs/dbraw/zinc/84/48/46/384844846.db2.gz XGIVGZHYCHZQTP-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000310120874 384844960 /nfs/dbraw/zinc/84/49/60/384844960.db2.gz DOTMKUBCLKMNJJ-KBPBESRZSA-N 2 1 240.391 1.590 20 0 BDADMP O=C1OCC[C@@]12CCC[N@H+]2CCCn1ccnc1 ZINC000186620086 384859097 /nfs/dbraw/zinc/85/90/97/384859097.db2.gz CRDSVOLIWXHWQB-ZDUSSCGKSA-N 2 1 249.314 1.055 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000105442753 384869100 /nfs/dbraw/zinc/86/91/00/384869100.db2.gz IDNPKIPLWQGLFE-SNVBAGLBSA-N 2 1 247.346 1.649 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccn1 ZINC000049712253 384898057 /nfs/dbraw/zinc/89/80/57/384898057.db2.gz BCNGGRGYAGFJOO-GHMZBOCLSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccn1 ZINC000049712253 384898062 /nfs/dbraw/zinc/89/80/62/384898062.db2.gz BCNGGRGYAGFJOO-GHMZBOCLSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000167651723 384914605 /nfs/dbraw/zinc/91/46/05/384914605.db2.gz DGHGXRJPSCUGGR-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000336145832 384923053 /nfs/dbraw/zinc/92/30/53/384923053.db2.gz NKWMORNLNRXPAB-OCCSQVGLSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336145832 384923056 /nfs/dbraw/zinc/92/30/56/384923056.db2.gz NKWMORNLNRXPAB-OCCSQVGLSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336145832 384923063 /nfs/dbraw/zinc/92/30/63/384923063.db2.gz NKWMORNLNRXPAB-OCCSQVGLSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336145832 384923069 /nfs/dbraw/zinc/92/30/69/384923069.db2.gz NKWMORNLNRXPAB-OCCSQVGLSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336145832 384923077 /nfs/dbraw/zinc/92/30/77/384923077.db2.gz NKWMORNLNRXPAB-OCCSQVGLSA-N 2 1 237.391 1.178 20 0 BDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)O)c1 ZINC000644526881 384935552 /nfs/dbraw/zinc/93/55/52/384935552.db2.gz GZQSEEHLQBITRR-GFCCVEGCSA-N 2 1 236.359 1.609 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000307278669 384978867 /nfs/dbraw/zinc/97/88/67/384978867.db2.gz VCMWWPNJSUGHCZ-HBNTYKKESA-N 2 1 214.378 1.612 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000310331597 384987132 /nfs/dbraw/zinc/98/71/32/384987132.db2.gz KEBUNFJGQSXZFA-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310331597 384987140 /nfs/dbraw/zinc/98/71/40/384987140.db2.gz KEBUNFJGQSXZFA-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310331597 384987147 /nfs/dbraw/zinc/98/71/47/384987147.db2.gz KEBUNFJGQSXZFA-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310331597 384987154 /nfs/dbraw/zinc/98/71/54/384987154.db2.gz KEBUNFJGQSXZFA-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310331597 384987165 /nfs/dbraw/zinc/98/71/65/384987165.db2.gz KEBUNFJGQSXZFA-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccns1 ZINC000404437394 384989558 /nfs/dbraw/zinc/98/95/58/384989558.db2.gz DMEZSMANBGIIIR-RKDXNWHRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccns1 ZINC000404437394 384989563 /nfs/dbraw/zinc/98/95/63/384989563.db2.gz DMEZSMANBGIIIR-RKDXNWHRSA-N 2 1 211.334 1.312 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000644603624 384996654 /nfs/dbraw/zinc/99/66/54/384996654.db2.gz HIKOODPGHKDNSQ-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccns1 ZINC000404435346 384997122 /nfs/dbraw/zinc/99/71/22/384997122.db2.gz FLDXNMMWEKQEDJ-UHFFFAOYSA-N 2 1 222.317 1.209 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404472529 385016121 /nfs/dbraw/zinc/01/61/21/385016121.db2.gz SIYWXXOEJHEMNF-VWYCJHECSA-N 2 1 239.388 1.948 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404472529 385016127 /nfs/dbraw/zinc/01/61/27/385016127.db2.gz SIYWXXOEJHEMNF-VWYCJHECSA-N 2 1 239.388 1.948 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccns1 ZINC000404486504 385020666 /nfs/dbraw/zinc/02/06/66/385020666.db2.gz CFYZSPSKMRJYEK-JTQLQIEISA-N 2 1 225.361 1.846 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccns1 ZINC000404486504 385020673 /nfs/dbraw/zinc/02/06/73/385020673.db2.gz CFYZSPSKMRJYEK-JTQLQIEISA-N 2 1 225.361 1.846 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCC1(C)C)C1CC1 ZINC000310433826 385053822 /nfs/dbraw/zinc/05/38/22/385053822.db2.gz TZVMTSKWBJZITE-CHWSQXEVSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCC1(C)C)C1CC1 ZINC000310433826 385053832 /nfs/dbraw/zinc/05/38/32/385053832.db2.gz TZVMTSKWBJZITE-CHWSQXEVSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+][C@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000307510938 385034814 /nfs/dbraw/zinc/03/48/14/385034814.db2.gz BWZRWSDJRZSLOM-GARJFASQSA-N 2 1 214.378 1.612 20 0 BDADMP C[N@@H+](CCCCO)CC[C@@H]1CCCC[NH+]1C ZINC000304313255 385123593 /nfs/dbraw/zinc/12/35/93/385123593.db2.gz NBUVFOPEKJWTRN-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP C[NH+](CCCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000304313255 385123597 /nfs/dbraw/zinc/12/35/97/385123597.db2.gz NBUVFOPEKJWTRN-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP C[NH+](CCCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000304313255 385123602 /nfs/dbraw/zinc/12/36/02/385123602.db2.gz NBUVFOPEKJWTRN-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000227451876 385139865 /nfs/dbraw/zinc/13/98/65/385139865.db2.gz YOQVYSIBRKWZDV-NWDGAFQWSA-N 2 1 249.358 1.655 20 0 BDADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000310486019 385086434 /nfs/dbraw/zinc/08/64/34/385086434.db2.gz DXRZHMLBGLGBSG-MRVWCRGKSA-N 2 1 240.391 1.874 20 0 BDADMP CCc1cc(N(C)[C@H](C)C[NH3+])nc(C)[nH+]1 ZINC000107207225 385188738 /nfs/dbraw/zinc/18/87/38/385188738.db2.gz BBKUGRFLZXDNDA-MRVPVSSYSA-N 2 1 208.309 1.131 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308826694 385195547 /nfs/dbraw/zinc/19/55/47/385195547.db2.gz IBKBKLPQVKNHMK-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308826694 385195549 /nfs/dbraw/zinc/19/55/49/385195549.db2.gz IBKBKLPQVKNHMK-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000313026672 385195692 /nfs/dbraw/zinc/19/56/92/385195692.db2.gz IGENAJSBJGGYRY-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000252710690 385199712 /nfs/dbraw/zinc/19/97/12/385199712.db2.gz HKAYVYSDAUZCST-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000246289073 385144950 /nfs/dbraw/zinc/14/49/50/385144950.db2.gz NDCNSUWVEIGFDW-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C)COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313014950 385147448 /nfs/dbraw/zinc/14/74/48/385147448.db2.gz WZUUOYDAZPPBIS-XQQFMLRXSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313014946 385148100 /nfs/dbraw/zinc/14/81/00/385148100.db2.gz WZUUOYDAZPPBIS-AVGNSLFASA-N 2 1 238.375 1.628 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480264 385162594 /nfs/dbraw/zinc/16/25/94/385162594.db2.gz IDTVIGBPAMPMFR-JSGCOSHPSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480264 385162601 /nfs/dbraw/zinc/16/26/01/385162601.db2.gz IDTVIGBPAMPMFR-JSGCOSHPSA-N 2 1 248.374 1.682 20 0 BDADMP COCC[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422639229 385164555 /nfs/dbraw/zinc/16/45/55/385164555.db2.gz SKOZNADRHNDLJN-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000157430689 385178857 /nfs/dbraw/zinc/17/88/57/385178857.db2.gz LZJVEAQDUAAAMB-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000157430689 385178867 /nfs/dbraw/zinc/17/88/67/385178867.db2.gz LZJVEAQDUAAAMB-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000252729639 385235977 /nfs/dbraw/zinc/23/59/77/385235977.db2.gz HPVLXPMJFBIIFM-HKUMRIAESA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000252729639 385235981 /nfs/dbraw/zinc/23/59/81/385235981.db2.gz HPVLXPMJFBIIFM-HKUMRIAESA-N 2 1 240.391 1.872 20 0 BDADMP CSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000068997653 385240110 /nfs/dbraw/zinc/24/01/10/385240110.db2.gz DWMMZQFDISMOQQ-YOGCLGLASA-N 2 1 228.405 1.954 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000045107893 385246882 /nfs/dbraw/zinc/24/68/82/385246882.db2.gz DDDFNYSWDSWCIQ-LBPRGKRZSA-N 2 1 214.353 1.330 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252711247 385205223 /nfs/dbraw/zinc/20/52/23/385205223.db2.gz IYRVQPZFDDFCSY-QJPTWQEYSA-N 2 1 214.353 1.341 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228061606 385323920 /nfs/dbraw/zinc/32/39/20/385323920.db2.gz BRVDKLXWFRIASM-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000220671291 385264398 /nfs/dbraw/zinc/26/43/98/385264398.db2.gz ZCRQHPCJGOJUFS-VHSXEESVSA-N 2 1 200.351 1.224 20 0 BDADMP COCC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316500506 385296113 /nfs/dbraw/zinc/29/61/13/385296113.db2.gz ZHIXQJYRQGDNID-AXFHLTTASA-N 2 1 200.326 1.081 20 0 BDADMP COCC[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316500506 385296117 /nfs/dbraw/zinc/29/61/17/385296117.db2.gz ZHIXQJYRQGDNID-AXFHLTTASA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2cn[nH]c2)CC[N@H+]1C ZINC000289740574 385331799 /nfs/dbraw/zinc/33/17/99/385331799.db2.gz KOXMEOLSQLDEGO-ZYHUDNBSSA-N 2 1 222.336 1.025 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21)C1CC1 ZINC000425455240 385338461 /nfs/dbraw/zinc/33/84/61/385338461.db2.gz HPZBJNROEZEAKL-IACUBPJLSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@@H+]1C ZINC000361982568 385389027 /nfs/dbraw/zinc/38/90/27/385389027.db2.gz RJKVJBSYUMXYAX-RAIGVLPGSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@H+]1C ZINC000361982568 385389031 /nfs/dbraw/zinc/38/90/31/385389031.db2.gz RJKVJBSYUMXYAX-RAIGVLPGSA-N 2 1 248.374 1.339 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000165169616 385357224 /nfs/dbraw/zinc/35/72/24/385357224.db2.gz ICZJRZDZSFWYFR-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])O1 ZINC000299993555 385387661 /nfs/dbraw/zinc/38/76/61/385387661.db2.gz JRORNZVNPKAETQ-NDBYEHHHSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])O1 ZINC000299993555 385387664 /nfs/dbraw/zinc/38/76/64/385387664.db2.gz JRORNZVNPKAETQ-NDBYEHHHSA-N 2 1 226.364 1.613 20 0 BDADMP CC1CCC(C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000165486416 385393775 /nfs/dbraw/zinc/39/37/75/385393775.db2.gz YUMUFIXQVULCPJ-BPCQOVAHSA-N 2 1 226.364 1.472 20 0 BDADMP CC1CCC(C[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000165486416 385393777 /nfs/dbraw/zinc/39/37/77/385393777.db2.gz YUMUFIXQVULCPJ-BPCQOVAHSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc(C)[nH+]1 ZINC000643033774 385535481 /nfs/dbraw/zinc/53/54/81/385535481.db2.gz PWBQNKMZSXLAAC-NEPJUHHUSA-N 2 1 232.331 1.282 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309341003 385540318 /nfs/dbraw/zinc/54/03/18/385540318.db2.gz KQMXDFIIXMRCLB-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309340994 385540694 /nfs/dbraw/zinc/54/06/94/385540694.db2.gz KQMXDFIIXMRCLB-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309341008 385540924 /nfs/dbraw/zinc/54/09/24/385540924.db2.gz KQMXDFIIXMRCLB-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000319097773 385543286 /nfs/dbraw/zinc/54/32/86/385543286.db2.gz WAQQDGXQDHINTG-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643032563 385527462 /nfs/dbraw/zinc/52/74/62/385527462.db2.gz DWZBJOUMZDJLBL-KOLCDFICSA-N 2 1 237.734 1.923 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000336650612 385605862 /nfs/dbraw/zinc/60/58/62/385605862.db2.gz DTSMQSXSIQFYRR-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000336650612 385605866 /nfs/dbraw/zinc/60/58/66/385605866.db2.gz DTSMQSXSIQFYRR-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCOCC1 ZINC000414856383 385711026 /nfs/dbraw/zinc/71/10/26/385711026.db2.gz YUBLRZDLUMHGAW-RYUDHWBXSA-N 2 1 214.353 1.519 20 0 BDADMP C[C@@H](CN[C@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000336735649 385714149 /nfs/dbraw/zinc/71/41/49/385714149.db2.gz IHSDQXKKDGIGDW-MDZLAQPJSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000336735649 385714155 /nfs/dbraw/zinc/71/41/55/385714155.db2.gz IHSDQXKKDGIGDW-MDZLAQPJSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](CN[C@H]1C[NH+](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000336735649 385714160 /nfs/dbraw/zinc/71/41/60/385714160.db2.gz IHSDQXKKDGIGDW-MDZLAQPJSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](CN[C@H]1C[NH+](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000336735649 385714169 /nfs/dbraw/zinc/71/41/69/385714169.db2.gz IHSDQXKKDGIGDW-MDZLAQPJSA-N 2 1 225.380 1.009 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336734378 385666535 /nfs/dbraw/zinc/66/65/35/385666535.db2.gz KWFXWXMJGSRBQV-AGIUHOORSA-N 2 1 228.380 1.610 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414858004 385729801 /nfs/dbraw/zinc/72/98/01/385729801.db2.gz HDFYCOFSBINTSQ-STQMWFEESA-N 3 1 227.396 1.496 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc(C(C)C)s1 ZINC000414857592 385731712 /nfs/dbraw/zinc/73/17/12/385731712.db2.gz FFPFEXXANCXPAW-UHFFFAOYSA-N 2 1 227.377 1.966 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000309615184 385744165 /nfs/dbraw/zinc/74/41/65/385744165.db2.gz COVPQOMSAMBRLE-CYBMUJFWSA-N 2 1 224.348 1.407 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H]1CCCOC1 ZINC000309646545 385764093 /nfs/dbraw/zinc/76/40/93/385764093.db2.gz MNBWJBXQODCGAS-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H](CN)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414947621 385802734 /nfs/dbraw/zinc/80/27/34/385802734.db2.gz VJDWLSRPKYMKNP-VIFPVBQESA-N 2 1 244.285 1.767 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414947621 385802739 /nfs/dbraw/zinc/80/27/39/385802739.db2.gz VJDWLSRPKYMKNP-VIFPVBQESA-N 2 1 244.285 1.767 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(C)(F)F ZINC000394867172 385804795 /nfs/dbraw/zinc/80/47/95/385804795.db2.gz DCSRVYIDGBWYKE-NXEZZACHSA-N 2 1 220.307 1.962 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000336714524 385811169 /nfs/dbraw/zinc/81/11/69/385811169.db2.gz PCJAMCARSXPKSC-UONOGXRCSA-N 3 1 241.423 1.968 20 0 BDADMP CCOCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397307855 385817178 /nfs/dbraw/zinc/81/71/78/385817178.db2.gz HTLFHJKDZMOTFV-TUAOUCFPSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCSCC1 ZINC000336725066 385829178 /nfs/dbraw/zinc/82/91/78/385829178.db2.gz BIXZXYNAFSWJQV-ZYHUDNBSSA-N 2 1 246.420 1.030 20 0 BDADMP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336716978 385836129 /nfs/dbraw/zinc/83/61/29/385836129.db2.gz QGTYWFZOCFTQHB-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336716978 385836134 /nfs/dbraw/zinc/83/61/34/385836134.db2.gz QGTYWFZOCFTQHB-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000336716978 385836138 /nfs/dbraw/zinc/83/61/38/385836138.db2.gz QGTYWFZOCFTQHB-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000336716978 385836141 /nfs/dbraw/zinc/83/61/41/385836141.db2.gz QGTYWFZOCFTQHB-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000271911264 385858794 /nfs/dbraw/zinc/85/87/94/385858794.db2.gz XXSVWNBYWHEOBS-CQSZACIVSA-N 2 1 248.374 1.723 20 0 BDADMP CCCn1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414957606 385853287 /nfs/dbraw/zinc/85/32/87/385853287.db2.gz WCPNADOYBQKYMK-YPMHNXCESA-N 2 1 236.363 1.523 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000414962924 385889626 /nfs/dbraw/zinc/88/96/26/385889626.db2.gz SZLPWXDRIRRUEM-NXEZZACHSA-N 2 1 202.367 1.470 20 0 BDADMP C[C@@H]1C[NH+](CCCC2CC[NH2+]CC2)C[C@@H](C)N1 ZINC000647841619 385890349 /nfs/dbraw/zinc/89/03/49/385890349.db2.gz FUFAEKQVCYSTLM-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCc1ccsc1 ZINC000647847369 385896306 /nfs/dbraw/zinc/89/63/06/385896306.db2.gz MCABSURHYVZNPP-UHFFFAOYSA-N 2 1 212.362 1.961 20 0 BDADMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)n1 ZINC000414966153 385916596 /nfs/dbraw/zinc/91/65/96/385916596.db2.gz GDZPWAZORTVAGW-CYBMUJFWSA-N 2 1 249.358 1.573 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC)CCOC ZINC000338234244 385924517 /nfs/dbraw/zinc/92/45/17/385924517.db2.gz LJOLABHPNQIAPB-UHFFFAOYSA-N 2 1 216.369 1.687 20 0 BDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000335038302 385927423 /nfs/dbraw/zinc/92/74/23/385927423.db2.gz JPFOYAMJBXWABT-STQMWFEESA-N 2 1 219.332 1.831 20 0 BDADMP Nc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccn1 ZINC000647815327 385869296 /nfs/dbraw/zinc/86/92/96/385869296.db2.gz ZNQKKXMYJCXZGW-UHFFFAOYSA-N 2 1 246.358 1.211 20 0 BDADMP Nc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccn1 ZINC000647815327 385869299 /nfs/dbraw/zinc/86/92/99/385869299.db2.gz ZNQKKXMYJCXZGW-UHFFFAOYSA-N 2 1 246.358 1.211 20 0 BDADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1C ZINC000414881308 385994698 /nfs/dbraw/zinc/99/46/98/385994698.db2.gz AEUBABNNYZPEJU-ZDUSSCGKSA-N 2 1 234.343 1.831 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCSCC1 ZINC000335019748 385977722 /nfs/dbraw/zinc/97/77/22/385977722.db2.gz SIDIJLZYFQIIDF-CMPLNLGQSA-N 2 1 228.405 1.717 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1CC1(C)C ZINC000414130369 385979196 /nfs/dbraw/zinc/97/91/96/385979196.db2.gz JLESNPLTFSZLDF-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000414130369 385979205 /nfs/dbraw/zinc/97/92/05/385979205.db2.gz JLESNPLTFSZLDF-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295175513 385984929 /nfs/dbraw/zinc/98/49/29/385984929.db2.gz MAOSGOAEMRGUDM-NSHDSACASA-N 2 1 247.342 1.250 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CCO)CC1CC1 ZINC000338238671 385932717 /nfs/dbraw/zinc/93/27/17/385932717.db2.gz VHFYMSNANMHGQO-UHFFFAOYSA-N 2 1 228.380 1.423 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CCC[NH2+]C1 ZINC000414878569 385933422 /nfs/dbraw/zinc/93/34/22/385933422.db2.gz ZYENGEABNQMRKW-VZANTVGXSA-N 3 1 237.391 1.234 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414060130 385937023 /nfs/dbraw/zinc/93/70/23/385937023.db2.gz JBKLKXWHORIXLA-JHJVBQTASA-N 2 1 228.380 1.589 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000335046080 385941241 /nfs/dbraw/zinc/94/12/41/385941241.db2.gz ZLVBXAYNKZGRLC-JQWIXIFHSA-N 2 1 208.305 1.757 20 0 BDADMP CC[NH+](CC)CCCN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000338287802 385942118 /nfs/dbraw/zinc/94/21/18/385942118.db2.gz WBNAFGNUDADJCC-KBPBESRZSA-N 2 1 241.423 1.743 20 0 BDADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)[C@@H]1C[C@@H]1C ZINC000414075136 385948123 /nfs/dbraw/zinc/94/81/23/385948123.db2.gz XKDHJOCPQRCINS-MJBXVCDLSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335058783 385960678 /nfs/dbraw/zinc/96/06/78/385960678.db2.gz KGITZXKPMRLODA-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000335058783 385960683 /nfs/dbraw/zinc/96/06/83/385960683.db2.gz KGITZXKPMRLODA-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925602 385973172 /nfs/dbraw/zinc/97/31/72/385973172.db2.gz PPADGNDPXYUTGS-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)CC[N@@H+]1C ZINC000187980446 386005997 /nfs/dbraw/zinc/00/59/97/386005997.db2.gz OJLSYMWEEBOHQH-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)CC[N@H+]1C ZINC000187980446 386006003 /nfs/dbraw/zinc/00/60/03/386006003.db2.gz OJLSYMWEEBOHQH-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000414176988 386019437 /nfs/dbraw/zinc/01/94/37/386019437.db2.gz IQLNSFNCARFFNK-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414182138 386023556 /nfs/dbraw/zinc/02/35/56/386023556.db2.gz MYSRDXCEWUHUGW-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000414196821 386034253 /nfs/dbraw/zinc/03/42/53/386034253.db2.gz WDYXFFHACJEEEC-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1ccn2c(C[NH2+]CC3([NH3+])CCC3)cnc2c1 ZINC000414883665 386038402 /nfs/dbraw/zinc/03/84/02/386038402.db2.gz NEQJJEUFCICPGL-UHFFFAOYSA-N 2 1 244.342 1.614 20 0 BDADMP CN(C)c1nc(NC[C@]2(C)CCC[NH2+]C2)cc[nH+]1 ZINC000129286273 386049820 /nfs/dbraw/zinc/04/98/20/386049820.db2.gz VTYGAPXRFFKWDD-CYBMUJFWSA-N 2 1 249.362 1.344 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000414148304 385996937 /nfs/dbraw/zinc/99/69/37/385996937.db2.gz RWAXPOQXPYSROJ-QSLWVIQJSA-N 2 1 240.391 1.872 20 0 BDADMP CCCC[N@H+](CCO)C[C@@H]([NH3+])CC(C)C ZINC000414663593 386110546 /nfs/dbraw/zinc/11/05/46/386110546.db2.gz BNBRMQVEKPRLTE-LBPRGKRZSA-N 2 1 216.369 1.454 20 0 BDADMP CCCC[N@@H+](CCO)C[C@@H]([NH3+])CC(C)C ZINC000414663593 386110553 /nfs/dbraw/zinc/11/05/53/386110553.db2.gz BNBRMQVEKPRLTE-LBPRGKRZSA-N 2 1 216.369 1.454 20 0 BDADMP CCCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414666173 386117810 /nfs/dbraw/zinc/11/78/10/386117810.db2.gz FWXYHRVGHBGOGE-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414211686 386065573 /nfs/dbraw/zinc/06/55/73/386065573.db2.gz VUDTVYSRHVRNAU-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)c1cnc(C[NH2+]C[C@H](C)C[NH3+])s1 ZINC000414887187 386089315 /nfs/dbraw/zinc/08/93/15/386089315.db2.gz ZBATUEVSRPFGSS-SECBINFHSA-N 2 1 227.377 1.951 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000414887763 386095572 /nfs/dbraw/zinc/09/55/72/386095572.db2.gz ZLHIHZWLKBTVNQ-VXGBXAGGSA-N 3 1 225.380 1.188 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H](O)C(C)C ZINC000414286448 386097035 /nfs/dbraw/zinc/09/70/35/386097035.db2.gz CODORGBAAABBRJ-UONOGXRCSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)C[C@H](CO)[N@@H+](C)CCn1ccnc1 ZINC000274838185 386157121 /nfs/dbraw/zinc/15/71/21/386157121.db2.gz CFBRFHPCHVBMSI-GFCCVEGCSA-N 2 1 225.336 1.222 20 0 BDADMP [NH3+]C[C@H]1CN(c2cc[nH+]cc2Cl)CCCO1 ZINC000313344297 259682334 /nfs/dbraw/zinc/68/23/34/259682334.db2.gz FVTZECXOWUNFFQ-VIFPVBQESA-N 2 1 241.722 1.289 20 0 BDADMP CCC[N@H+](CCO)C[C@@H]([NH3+])CC(C)C ZINC000414679966 386161772 /nfs/dbraw/zinc/16/17/72/386161772.db2.gz MMRFJUPGTOKWSA-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP CCC[N@@H+](CCO)C[C@@H]([NH3+])CC(C)C ZINC000414679966 386161777 /nfs/dbraw/zinc/16/17/77/386161777.db2.gz MMRFJUPGTOKWSA-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](CCO)C(C)C ZINC000414684176 386167442 /nfs/dbraw/zinc/16/74/42/386167442.db2.gz UXLPHXRTUJNIFD-NSHDSACASA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](CCO)C(C)C ZINC000414684176 386167449 /nfs/dbraw/zinc/16/74/49/386167449.db2.gz UXLPHXRTUJNIFD-NSHDSACASA-N 2 1 202.342 1.063 20 0 BDADMP CCN(CCC[NH+](C)C)C(=O)C[N@@H+](C)C(C)C ZINC000338894372 386169287 /nfs/dbraw/zinc/16/92/87/386169287.db2.gz GZPLBTSDSIDCJM-UHFFFAOYSA-N 2 1 243.395 1.127 20 0 BDADMP C[C@H]1C[C@@H](N(C)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000414692635 386183034 /nfs/dbraw/zinc/18/30/34/386183034.db2.gz CYNCVMQBVQWEAC-STQMWFEESA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000414690635 386185541 /nfs/dbraw/zinc/18/55/41/386185541.db2.gz HXCQMDMVCHNOOU-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CN(C)C)C2)CC[NH2+]1 ZINC000414690635 386185546 /nfs/dbraw/zinc/18/55/46/386185546.db2.gz HXCQMDMVCHNOOU-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CN(C)C)C2)CC[NH2+]1 ZINC000414690635 386185550 /nfs/dbraw/zinc/18/55/50/386185550.db2.gz HXCQMDMVCHNOOU-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccnn1C ZINC000235075296 386132907 /nfs/dbraw/zinc/13/29/07/386132907.db2.gz AHHGVUFFIALTGP-WDEREUQCSA-N 2 1 224.352 1.411 20 0 BDADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C1(C)C ZINC000414697221 386201299 /nfs/dbraw/zinc/20/12/99/386201299.db2.gz IGYCNKWIUHCCRJ-MNOVXSKESA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)O1 ZINC000310570179 386203190 /nfs/dbraw/zinc/20/31/90/386203190.db2.gz NSJZFQUIVPHELU-YIYPIFLZSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000414700802 386208586 /nfs/dbraw/zinc/20/85/86/386208586.db2.gz GJANSCYUBCIPKF-VXGBXAGGSA-N 2 1 230.396 1.699 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000414700802 386208592 /nfs/dbraw/zinc/20/85/92/386208592.db2.gz GJANSCYUBCIPKF-VXGBXAGGSA-N 2 1 230.396 1.699 20 0 BDADMP COC(=O)CCC(C)(C)[NH2+]CC[NH2+]C(C)(C)C ZINC000414703651 386214185 /nfs/dbraw/zinc/21/41/85/386214185.db2.gz CQPFDMOJEXKQAT-UHFFFAOYSA-N 2 1 244.379 1.696 20 0 BDADMP CC(C)Cn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000347025460 386220885 /nfs/dbraw/zinc/22/08/85/386220885.db2.gz SGKLSHVVYNYETH-LBPRGKRZSA-N 2 1 236.363 1.320 20 0 BDADMP CC(C)Cn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000347025460 386220888 /nfs/dbraw/zinc/22/08/88/386220888.db2.gz SGKLSHVVYNYETH-LBPRGKRZSA-N 2 1 236.363 1.320 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000414712227 386230268 /nfs/dbraw/zinc/23/02/68/386230268.db2.gz NLWURXDSBDBKEV-KBPBESRZSA-N 2 1 241.423 1.632 20 0 BDADMP CC[N@@H+](CCC[NH3+])CCc1nccs1 ZINC000414715588 386236431 /nfs/dbraw/zinc/23/64/31/386236431.db2.gz YVPPIGHYIRVGFZ-UHFFFAOYSA-N 2 1 213.350 1.356 20 0 BDADMP CCOc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320624 386237527 /nfs/dbraw/zinc/23/75/27/386237527.db2.gz YQQBEPRTRYIDRI-OKILXGFUSA-N 2 1 246.354 1.737 20 0 BDADMP CCOc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320624 386237533 /nfs/dbraw/zinc/23/75/33/386237533.db2.gz YQQBEPRTRYIDRI-OKILXGFUSA-N 2 1 246.354 1.737 20 0 BDADMP CCN1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000414902075 386324431 /nfs/dbraw/zinc/32/44/31/386324431.db2.gz KETXATFCBFXBTN-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415005173 386298155 /nfs/dbraw/zinc/29/81/55/386298155.db2.gz ISGCDIBWIVWTAS-MNOVXSKESA-N 2 1 245.330 1.093 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336668725 386310041 /nfs/dbraw/zinc/31/00/41/386310041.db2.gz RCLVOXKAJDFLAD-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)CC[NH2+]1 ZINC000414740956 386320738 /nfs/dbraw/zinc/32/07/38/386320738.db2.gz LYJQWQGZZFUPOG-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH3+])c1ccccc1 ZINC000236885449 386322467 /nfs/dbraw/zinc/32/24/67/386322467.db2.gz ADCQCUMVBCSRSQ-CYBMUJFWSA-N 2 1 249.358 1.144 20 0 BDADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH3+])c1ccccc1 ZINC000236887607 386323184 /nfs/dbraw/zinc/32/31/84/386323184.db2.gz ADCQCUMVBCSRSQ-ZDUSSCGKSA-N 2 1 249.358 1.144 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000647884433 386264300 /nfs/dbraw/zinc/26/43/00/386264300.db2.gz PQXVNODSLGJZMR-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H](O)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336654891 386273076 /nfs/dbraw/zinc/27/30/76/386273076.db2.gz KMPZYKGIIVFCFQ-FRRDWIJNSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336654891 386273079 /nfs/dbraw/zinc/27/30/79/386273079.db2.gz KMPZYKGIIVFCFQ-FRRDWIJNSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336654891 386273082 /nfs/dbraw/zinc/27/30/82/386273082.db2.gz KMPZYKGIIVFCFQ-FRRDWIJNSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336654891 386273087 /nfs/dbraw/zinc/27/30/87/386273087.db2.gz KMPZYKGIIVFCFQ-FRRDWIJNSA-N 2 1 228.380 1.562 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC000647987719 386277804 /nfs/dbraw/zinc/27/78/04/386277804.db2.gz TWMDYDOBQVEDNY-ZIAGYGMSSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC000647987719 386277809 /nfs/dbraw/zinc/27/78/09/386277809.db2.gz TWMDYDOBQVEDNY-ZIAGYGMSSA-N 3 1 237.391 1.060 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336682206 386339989 /nfs/dbraw/zinc/33/99/89/386339989.db2.gz CZXNOYAFBGSPQK-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP COc1c(O)cccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414903511 386341340 /nfs/dbraw/zinc/34/13/40/386341340.db2.gz ZYPJWZFMEZMBPD-VIFPVBQESA-N 2 1 224.304 1.228 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336682204 386341358 /nfs/dbraw/zinc/34/13/58/386341358.db2.gz CZXNOYAFBGSPQK-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP COCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335278657 386345931 /nfs/dbraw/zinc/34/59/31/386345931.db2.gz LUTRFVZAXMJLSC-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000414746734 386346440 /nfs/dbraw/zinc/34/64/40/386346440.db2.gz SSJHIXSXTIUNTE-AVGNSLFASA-N 2 1 227.396 1.384 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@](F)(CO)C1 ZINC000347351531 386347161 /nfs/dbraw/zinc/34/71/61/386347161.db2.gz XJLNTRMMIDNNRT-STQMWFEESA-N 2 1 244.354 1.267 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000414747051 386349198 /nfs/dbraw/zinc/34/91/98/386349198.db2.gz RNSAIYCBXLTFNX-ZDUSSCGKSA-N 2 1 244.342 1.632 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cn1 ZINC000336687678 386350981 /nfs/dbraw/zinc/35/09/81/386350981.db2.gz AYSJSKFDRHFTLJ-KBPBESRZSA-N 2 1 249.358 1.632 20 0 BDADMP Oc1cc(F)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414905237 386355837 /nfs/dbraw/zinc/35/58/37/386355837.db2.gz NKKNYFIFCNKNRW-GFCCVEGCSA-N 2 1 238.306 1.763 20 0 BDADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000414905639 386363805 /nfs/dbraw/zinc/36/38/05/386363805.db2.gz LQHSHVWFOKUCHJ-SECBINFHSA-N 2 1 224.279 1.230 20 0 BDADMP CC[N@H+](CCCO)C[C@H]([NH3+])CC(C)C ZINC000414748954 386364728 /nfs/dbraw/zinc/36/47/28/386364728.db2.gz VLWYFAUFNMCYFA-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000647890116 386366761 /nfs/dbraw/zinc/36/67/61/386366761.db2.gz QQQBNCDINGGDDY-CYBMUJFWSA-N 2 1 238.306 1.548 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414749740 386367960 /nfs/dbraw/zinc/36/79/60/386367960.db2.gz YTTYXAJJWPTPPX-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccncc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000311187981 386370055 /nfs/dbraw/zinc/37/00/55/386370055.db2.gz CWPKGSHYJOUWNZ-VXGBXAGGSA-N 2 1 249.358 1.507 20 0 BDADMP COc1ccncc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000311187981 386370061 /nfs/dbraw/zinc/37/00/61/386370061.db2.gz CWPKGSHYJOUWNZ-VXGBXAGGSA-N 2 1 249.358 1.507 20 0 BDADMP C[C@H]1[C@H](CO)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414750001 386370325 /nfs/dbraw/zinc/37/03/25/386370325.db2.gz ZEBYDMYOBOWKOP-XQHKEYJVSA-N 2 1 226.364 1.077 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414906085 386372390 /nfs/dbraw/zinc/37/23/90/386372390.db2.gz ORYNMTRTTLIXDQ-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414906085 386372395 /nfs/dbraw/zinc/37/23/95/386372395.db2.gz ORYNMTRTTLIXDQ-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414906085 386372398 /nfs/dbraw/zinc/37/23/98/386372398.db2.gz ORYNMTRTTLIXDQ-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@]1(C[NH2+]Cc2cccnc2)CCC[NH2+]C1 ZINC000414907391 386382683 /nfs/dbraw/zinc/38/26/83/386382683.db2.gz QKGXUGOEZDZEPA-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414767186 386440670 /nfs/dbraw/zinc/44/06/70/386440670.db2.gz IPCQQBHSMYRYRP-DYEKYZERSA-N 2 1 240.391 1.861 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)C(C)C ZINC000336722076 386447653 /nfs/dbraw/zinc/44/76/53/386447653.db2.gz SSDHKOLYXRAYGA-OCCSQVGLSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)C(C)C ZINC000336722076 386447659 /nfs/dbraw/zinc/44/76/59/386447659.db2.gz SSDHKOLYXRAYGA-OCCSQVGLSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)C(C)C ZINC000336722076 386447664 /nfs/dbraw/zinc/44/76/64/386447664.db2.gz SSDHKOLYXRAYGA-OCCSQVGLSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)C(C)C ZINC000336722076 386447671 /nfs/dbraw/zinc/44/76/71/386447671.db2.gz SSDHKOLYXRAYGA-OCCSQVGLSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@H](C)C1 ZINC000347431526 386402050 /nfs/dbraw/zinc/40/20/50/386402050.db2.gz ODMAMDIQBDJWDJ-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(C)COC2)C1 ZINC000336700888 386402211 /nfs/dbraw/zinc/40/22/11/386402211.db2.gz LNVYGBAHTBVYRS-LBPRGKRZSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336700888 386402212 /nfs/dbraw/zinc/40/22/12/386402212.db2.gz LNVYGBAHTBVYRS-LBPRGKRZSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336700888 386402214 /nfs/dbraw/zinc/40/22/14/386402214.db2.gz LNVYGBAHTBVYRS-LBPRGKRZSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000277065782 386404732 /nfs/dbraw/zinc/40/47/32/386404732.db2.gz NZLJEESUFNLGKH-RKDXNWHRSA-N 2 1 236.319 1.069 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1O ZINC000414757894 386405808 /nfs/dbraw/zinc/40/58/08/386405808.db2.gz LXUYXGOCNIVZQT-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399116406 386413973 /nfs/dbraw/zinc/41/39/73/386413973.db2.gz DKRFHRWNMCGHJX-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP CCOC1CC([N@@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000347465381 386415219 /nfs/dbraw/zinc/41/52/19/386415219.db2.gz NXJGXSHWASLAPI-IYXRBSQSSA-N 2 1 240.391 1.970 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093453277 386415865 /nfs/dbraw/zinc/41/58/65/386415865.db2.gz KPJMDHQQYRRBSQ-MELADBBJSA-N 2 1 248.374 1.430 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000339409594 386416000 /nfs/dbraw/zinc/41/60/00/386416000.db2.gz HNPALYLRAXKCSY-AWEZNQCLSA-N 2 1 233.359 1.603 20 0 BDADMP CC[C@H]1C[C@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000399160971 386428360 /nfs/dbraw/zinc/42/83/60/386428360.db2.gz KTZIUJBFMMYFIE-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP Cc1c(C[N@H+]2CCCC[C@H]2CC[NH3+])cnn1C ZINC000093651374 386434666 /nfs/dbraw/zinc/43/46/66/386434666.db2.gz MBLDHJWXKMEJHJ-ZDUSSCGKSA-N 2 1 236.363 1.432 20 0 BDADMP C[NH+]1CCC(C)(CNCc2cc[nH]n2)CC1 ZINC000227330083 386475312 /nfs/dbraw/zinc/47/53/12/386475312.db2.gz UJNDIAQKKRVBLC-UHFFFAOYSA-N 2 1 222.336 1.231 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934504 386476080 /nfs/dbraw/zinc/47/60/80/386476080.db2.gz HKURNNKAVCNNPO-KGLIPLIRSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000415011127 386484883 /nfs/dbraw/zinc/48/48/83/386484883.db2.gz QEIDUBHSJFAQGS-VXGBXAGGSA-N 2 1 244.342 1.698 20 0 BDADMP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(OC)c1 ZINC000415043771 386529451 /nfs/dbraw/zinc/52/94/51/386529451.db2.gz UPFABMXWNCJZEG-WDNDVIMCSA-N 2 1 248.326 1.011 20 0 BDADMP C[C@@H]1C[C@H](CN[C@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000415050439 386505616 /nfs/dbraw/zinc/50/56/16/386505616.db2.gz YRZWLMQEFDQTIA-UTUOFQBUSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415051625 386508223 /nfs/dbraw/zinc/50/82/23/386508223.db2.gz MHCCEMFSEUEZBO-REBRKWNGSA-N 2 1 230.355 1.988 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414785515 386514171 /nfs/dbraw/zinc/51/41/71/386514171.db2.gz JGSJQPWDTWBGBC-GRYCIOLGSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414785515 386514176 /nfs/dbraw/zinc/51/41/76/386514176.db2.gz JGSJQPWDTWBGBC-GRYCIOLGSA-N 2 1 226.389 1.423 20 0 BDADMP Cc1cn[nH]c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000335447249 386515250 /nfs/dbraw/zinc/51/52/50/386515250.db2.gz BDPYHBGAEQGOFZ-SNVBAGLBSA-N 2 1 222.336 1.277 20 0 BDADMP CN(C)c1ccccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415029844 386516051 /nfs/dbraw/zinc/51/60/51/386516051.db2.gz DDLPPXDUBMWYBF-IMRBUKKESA-N 2 1 231.343 1.060 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000415027117 386517076 /nfs/dbraw/zinc/51/70/76/386517076.db2.gz WCNGTPIACMSJLL-AVGNSLFASA-N 3 1 227.396 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000415027117 386517084 /nfs/dbraw/zinc/51/70/84/386517084.db2.gz WCNGTPIACMSJLL-AVGNSLFASA-N 2 1 227.396 1.434 20 0 BDADMP Cc1ccc(C)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415032634 386519290 /nfs/dbraw/zinc/51/92/90/386519290.db2.gz GEXWSMIMUBBLKL-OAHLLOKOSA-N 2 1 248.370 1.772 20 0 BDADMP CCN1CCCC[C@H]1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415074291 386574362 /nfs/dbraw/zinc/57/43/62/386574362.db2.gz CGCOERKZDCZCHT-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H](N)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977593 386579105 /nfs/dbraw/zinc/57/91/05/386579105.db2.gz DXFXCNBRHWBVCH-AVGNSLFASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977593 386579110 /nfs/dbraw/zinc/57/91/10/386579110.db2.gz DXFXCNBRHWBVCH-AVGNSLFASA-N 2 1 225.380 1.045 20 0 BDADMP C[NH+](C)CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911894 386531909 /nfs/dbraw/zinc/53/19/09/386531909.db2.gz HTLRVMZNXGHYBH-CQSZACIVSA-N 2 1 239.407 1.260 20 0 BDADMP c1cnc2c(c1)cccc2C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046530 386532719 /nfs/dbraw/zinc/53/27/19/386532719.db2.gz XLMVOTMZQMJWHV-NHAGDIPZSA-N 2 1 239.322 1.542 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCSC1 ZINC000415054212 386537343 /nfs/dbraw/zinc/53/73/43/386537343.db2.gz LKLXAUXBSBYYKU-ZJUUUORDSA-N 2 1 216.394 1.703 20 0 BDADMP C[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000415063793 386544273 /nfs/dbraw/zinc/54/42/73/386544273.db2.gz AZIZNWUNGSUGFN-GXFFZTMASA-N 2 1 240.322 1.181 20 0 BDADMP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000415063793 386544275 /nfs/dbraw/zinc/54/42/75/386544275.db2.gz AZIZNWUNGSUGFN-GXFFZTMASA-N 2 1 240.322 1.181 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1 ZINC000414791370 386544944 /nfs/dbraw/zinc/54/49/44/386544944.db2.gz HURKTIGJIOOMTG-GFCCVEGCSA-N 2 1 210.296 1.899 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000063223693 386547628 /nfs/dbraw/zinc/54/76/28/386547628.db2.gz SOVDBYKAIABSIZ-GXTWGEPZSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000063223693 386547633 /nfs/dbraw/zinc/54/76/33/386547633.db2.gz SOVDBYKAIABSIZ-GXTWGEPZSA-N 2 1 233.359 1.826 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000415068965 386551759 /nfs/dbraw/zinc/55/17/59/386551759.db2.gz RXGKMQWFLLZWNV-WXRRBKDZSA-N 3 1 225.380 1.363 20 0 BDADMP Cc1ccncc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070795 386556083 /nfs/dbraw/zinc/55/60/83/386556083.db2.gz VOCKJWDEKHZPOV-CQSZACIVSA-N 2 1 233.359 1.997 20 0 BDADMP [NH3+]C1(c2noc([C@H]3CCCC[NH2+]3)n2)CCCC1 ZINC000519827645 386564738 /nfs/dbraw/zinc/56/47/38/386564738.db2.gz NTZXXPCKJGANPV-SECBINFHSA-N 2 1 236.319 1.612 20 0 BDADMP Cc1noc(C)c1CC[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415074578 386567350 /nfs/dbraw/zinc/56/73/50/386567350.db2.gz CVPWYUWIHIPNAO-LBPRGKRZSA-N 2 1 239.363 1.797 20 0 BDADMP Cc1ccccc1OCC[NH2+]CC(C)(C)[NH3+] ZINC000415075988 386571654 /nfs/dbraw/zinc/57/16/54/386571654.db2.gz CBZMRESUWMPZCL-UHFFFAOYSA-N 2 1 222.332 1.701 20 0 BDADMP C[C@@H]([NH3+])c1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414808994 386623138 /nfs/dbraw/zinc/62/31/38/386623138.db2.gz LQJYSEILVHVFSR-SNVBAGLBSA-N 3 1 221.348 1.533 20 0 BDADMP C[C@H](CO)[N@@H+](CC1CCC1)C[C@H]1CCC[NH2+]C1 ZINC000415103778 386623183 /nfs/dbraw/zinc/62/31/83/386623183.db2.gz JYDJQHKJPHNOKJ-OCCSQVGLSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+][C@H](C[NH3+])C2CC2)CCO1 ZINC000414808332 386623978 /nfs/dbraw/zinc/62/39/78/386623978.db2.gz SEVZGTQMBANESW-CYZMBNFOSA-N 2 1 226.364 1.519 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nn1C ZINC000414808740 386624692 /nfs/dbraw/zinc/62/46/92/386624692.db2.gz SRZPSANBONJEFF-WCQYABFASA-N 2 1 236.363 1.336 20 0 BDADMP C[C@H](CO)[N@H+](CC[NH2+]C(C)(C)C)CC1CCC1 ZINC000415116168 386630008 /nfs/dbraw/zinc/63/00/08/386630008.db2.gz ZEXWMQNRSFANBR-GFCCVEGCSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CO)[N@@H+](CC[NH2+]C(C)(C)C)CC1CCC1 ZINC000415116168 386630016 /nfs/dbraw/zinc/63/00/16/386630016.db2.gz ZEXWMQNRSFANBR-GFCCVEGCSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000414810350 386631090 /nfs/dbraw/zinc/63/10/90/386631090.db2.gz VGPYSMTYPZGKIO-AGIUHOORSA-N 2 1 225.380 1.093 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)nn(C)c1C ZINC000414811298 386632842 /nfs/dbraw/zinc/63/28/42/386632842.db2.gz ZAHXRVNDUWPWGN-UHFFFAOYSA-N 2 1 238.379 1.644 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049707608 386638055 /nfs/dbraw/zinc/63/80/55/386638055.db2.gz KFNFSPZBMNIOGG-RISCZKNCSA-N 2 1 234.343 1.864 20 0 BDADMP CCC(N)(CC)C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414812844 386642115 /nfs/dbraw/zinc/64/21/15/386642115.db2.gz SBQHZULQSALDKB-NWDGAFQWSA-N 2 1 227.396 1.482 20 0 BDADMP Cc1ccccc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414814936 386650580 /nfs/dbraw/zinc/65/05/80/386650580.db2.gz ZPKCTAXCKZGMQL-CYBMUJFWSA-N 2 1 204.317 1.822 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000049311260 386603717 /nfs/dbraw/zinc/60/37/17/386603717.db2.gz IQKCKTPTWVIGKL-SECBINFHSA-N 2 1 240.269 1.236 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000049311260 386603724 /nfs/dbraw/zinc/60/37/24/386603724.db2.gz IQKCKTPTWVIGKL-SECBINFHSA-N 2 1 240.269 1.236 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)n1 ZINC000414807129 386617555 /nfs/dbraw/zinc/61/75/55/386617555.db2.gz QWODWAPGKOOUKX-MFKMUULPSA-N 2 1 249.358 1.348 20 0 BDADMP CN(C[C@@H](O)C[N@@H+](C)CC1CCC1)C1CC1 ZINC000336648002 386672387 /nfs/dbraw/zinc/67/23/87/386672387.db2.gz FYXOIAGVVQUILZ-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)CC1CCC1)C1CC1 ZINC000336648002 386672391 /nfs/dbraw/zinc/67/23/91/386672391.db2.gz FYXOIAGVVQUILZ-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)CC1CCC1)C1CC1 ZINC000336648002 386672395 /nfs/dbraw/zinc/67/23/95/386672395.db2.gz FYXOIAGVVQUILZ-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1CCC1 ZINC000336648002 386672398 /nfs/dbraw/zinc/67/23/98/386672398.db2.gz FYXOIAGVVQUILZ-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1CCC1 ZINC000336648002 386672401 /nfs/dbraw/zinc/67/24/01/386672401.db2.gz FYXOIAGVVQUILZ-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP Cc1cn[nH]c1CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000352834776 386681694 /nfs/dbraw/zinc/68/16/94/386681694.db2.gz JFUSYHDDZHBNIO-VXGBXAGGSA-N 2 1 236.363 1.681 20 0 BDADMP Cc1noc([C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000647951275 386658300 /nfs/dbraw/zinc/65/83/00/386658300.db2.gz UXZFFTDJGGDTMG-KOLCDFICSA-N 2 1 238.335 1.500 20 0 BDADMP Cc1cn[nH]c1CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000352834773 386683990 /nfs/dbraw/zinc/68/39/90/386683990.db2.gz JFUSYHDDZHBNIO-NEPJUHHUSA-N 2 1 236.363 1.681 20 0 BDADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000414830568 386705155 /nfs/dbraw/zinc/70/51/55/386705155.db2.gz OXHWCDPWUBCLGD-GFCCVEGCSA-N 2 1 236.363 1.553 20 0 BDADMP C1CC1[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC1 ZINC000325061700 386715792 /nfs/dbraw/zinc/71/57/92/386715792.db2.gz SPWHTCFCVQRXDH-STQMWFEESA-N 2 1 208.349 1.907 20 0 BDADMP Cc1csc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000335542970 386725027 /nfs/dbraw/zinc/72/50/27/386725027.db2.gz JQLWBMKAYHREKU-KOLCDFICSA-N 2 1 239.388 1.929 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(N(C)C)s1 ZINC000414835230 386726939 /nfs/dbraw/zinc/72/69/39/386726939.db2.gz ICNNYOGBHYXJNP-SECBINFHSA-N 2 1 242.392 1.154 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CC(C)(C)[NH3+])CC[NH2+]CC2 ZINC000335544619 386730041 /nfs/dbraw/zinc/73/00/41/386730041.db2.gz ULRDTCGIGBOPBA-LLVKDONJSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC2(C[N@@H+]1CC(C)(C)N)CC[NH2+]CC2 ZINC000335544619 386730044 /nfs/dbraw/zinc/73/00/44/386730044.db2.gz ULRDTCGIGBOPBA-LLVKDONJSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CC(C)(C)N)CC[NH2+]CC2 ZINC000335544619 386730049 /nfs/dbraw/zinc/73/00/49/386730049.db2.gz ULRDTCGIGBOPBA-LLVKDONJSA-N 2 1 225.380 1.188 20 0 BDADMP Cc1ncc(CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cn1 ZINC000344835771 386756154 /nfs/dbraw/zinc/75/61/54/386756154.db2.gz JODWVQHLVWVTIN-IINYFYTJSA-N 2 1 246.358 1.357 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414931858 386766858 /nfs/dbraw/zinc/76/68/58/386766858.db2.gz RYHJOQDADPZMRC-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC1CCOCC1 ZINC000414934288 386789932 /nfs/dbraw/zinc/78/99/32/386789932.db2.gz SSUITVGAPIXECM-TZMCWYRMSA-N 2 1 240.391 1.781 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414844665 386781356 /nfs/dbraw/zinc/78/13/56/386781356.db2.gz DYSRFSPUCPSOEJ-NSHDSACASA-N 2 1 222.336 1.197 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395074143 386844682 /nfs/dbraw/zinc/84/46/82/386844682.db2.gz FOJQDXKBRMOKHM-GRYCIOLGSA-N 2 1 214.353 1.124 20 0 BDADMP Cc1nocc1C[NH2+]CCCn1cc[nH+]c1C ZINC000293710176 386866006 /nfs/dbraw/zinc/86/60/06/386866006.db2.gz XSIPJZABJUSJFX-UHFFFAOYSA-N 2 1 234.303 1.668 20 0 BDADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000334833074 386870911 /nfs/dbraw/zinc/87/09/11/386870911.db2.gz MRJWCTSWEXFONE-ITGUQSILSA-N 2 1 236.746 1.956 20 0 BDADMP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414939885 386874099 /nfs/dbraw/zinc/87/40/99/386874099.db2.gz BIIIRUBDYQDTIF-MNOVXSKESA-N 2 1 235.331 1.326 20 0 BDADMP COC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000334848146 386896573 /nfs/dbraw/zinc/89/65/73/386896573.db2.gz IMCYTYQNENJOIG-MOENNCHZSA-N 2 1 212.337 1.286 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334856479 386909010 /nfs/dbraw/zinc/90/90/10/386909010.db2.gz YPNFWGYVXKXAIH-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334856479 386909013 /nfs/dbraw/zinc/90/90/13/386909013.db2.gz YPNFWGYVXKXAIH-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334856054 386909240 /nfs/dbraw/zinc/90/92/40/386909240.db2.gz WCGIGVBPQBGDOQ-QWRGUYRKSA-N 2 1 212.362 1.176 20 0 BDADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1C ZINC000648111058 386947257 /nfs/dbraw/zinc/94/72/57/386947257.db2.gz RERQFOHKWAUROM-ZWNOBZJWSA-N 2 1 247.342 1.424 20 0 BDADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358260301 386921261 /nfs/dbraw/zinc/92/12/61/386921261.db2.gz XQLXBYOAZKNRCK-DZGCQCFKSA-N 2 1 248.370 1.712 20 0 BDADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358260301 386921268 /nfs/dbraw/zinc/92/12/68/386921268.db2.gz XQLXBYOAZKNRCK-DZGCQCFKSA-N 2 1 248.370 1.712 20 0 BDADMP CSCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368316510 386959297 /nfs/dbraw/zinc/95/92/97/386959297.db2.gz LCXKRVCYFQHVCF-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CSCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368316510 386959300 /nfs/dbraw/zinc/95/93/00/386959300.db2.gz LCXKRVCYFQHVCF-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CSCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368316510 386959304 /nfs/dbraw/zinc/95/93/04/386959304.db2.gz LCXKRVCYFQHVCF-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1SC ZINC000425352047 386960917 /nfs/dbraw/zinc/96/09/17/386960917.db2.gz HKGJRQJLAAZVQQ-VXGBXAGGSA-N 2 1 246.420 1.438 20 0 BDADMP CC[NH+](CC)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368352492 386965428 /nfs/dbraw/zinc/96/54/28/386965428.db2.gz SEBALJGUVFHIGH-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395201229 386986180 /nfs/dbraw/zinc/98/61/80/386986180.db2.gz VZVBGVPFLFMIPN-MJBXVCDLSA-N 2 1 241.423 1.837 20 0 BDADMP CCC(CC)[C@H](C[NH2+][C@@H](C)CC(N)=O)[NH+](C)C ZINC000341898540 386995451 /nfs/dbraw/zinc/99/54/51/386995451.db2.gz MDGPVKQQDKQPQV-JQWIXIFHSA-N 2 1 243.395 1.206 20 0 BDADMP c1ccc2[nH+]c(NCC[C@@H]3CC[NH2+]C3)[nH]c2c1 ZINC000104359338 387003758 /nfs/dbraw/zinc/00/37/58/387003758.db2.gz TVHQIPSNIHFJFG-JTQLQIEISA-N 2 1 230.315 1.974 20 0 BDADMP CC(C)CCC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336763833 387038974 /nfs/dbraw/zinc/03/89/74/387038974.db2.gz PQYBYONODFTOHC-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)CCC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336763833 387038978 /nfs/dbraw/zinc/03/89/78/387038978.db2.gz PQYBYONODFTOHC-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000107980476 387039424 /nfs/dbraw/zinc/03/94/24/387039424.db2.gz BRSCWPUTIRHHJA-JQWIXIFHSA-N 2 1 222.307 1.995 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359214923 387066720 /nfs/dbraw/zinc/06/67/20/387066720.db2.gz HTQSQQADSQMXPE-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000359214923 387066724 /nfs/dbraw/zinc/06/67/24/387066724.db2.gz HTQSQQADSQMXPE-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H](C[NH3+])N(C)c1cc[nH+]cc1Br ZINC000160032738 387040965 /nfs/dbraw/zinc/04/09/65/387040965.db2.gz XVKDVLILQWHBCF-SSDOTTSWSA-N 2 1 244.136 1.628 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000070074065 387042706 /nfs/dbraw/zinc/04/27/06/387042706.db2.gz ROCWLZVMLJSVHT-GFCCVEGCSA-N 2 1 222.336 1.123 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000070171904 387046767 /nfs/dbraw/zinc/04/67/67/387046767.db2.gz MOJFEDLIVZKRLV-YPMHNXCESA-N 2 1 234.343 1.951 20 0 BDADMP [NH3+]CCN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334966032 387047463 /nfs/dbraw/zinc/04/74/63/387047463.db2.gz DWKHDETWLHGKEP-LBPRGKRZSA-N 2 1 248.374 1.358 20 0 BDADMP C(C[N@H+]1CCOCC2(CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000334968754 387053543 /nfs/dbraw/zinc/05/35/43/387053543.db2.gz MGPBRTZMODUWNP-CYBMUJFWSA-N 2 1 238.375 1.489 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000333787268 387056701 /nfs/dbraw/zinc/05/67/01/387056701.db2.gz FOOLIGQSJDYNNB-QJPTWQEYSA-N 2 1 234.347 1.435 20 0 BDADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000359208385 387067292 /nfs/dbraw/zinc/06/72/92/387067292.db2.gz BSKZAIULNQJQPF-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000188676757 387063760 /nfs/dbraw/zinc/06/37/60/387063760.db2.gz MAFHMEBIIJDDJF-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCCN1 ZINC000333883481 387071310 /nfs/dbraw/zinc/07/13/10/387071310.db2.gz WRMJQEVCFCZWLT-CYDGBPFRSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000111695582 387085403 /nfs/dbraw/zinc/08/54/03/387085403.db2.gz RXVCTGGENBYTOL-TZMCWYRMSA-N 2 1 233.359 1.683 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC000334998440 387091188 /nfs/dbraw/zinc/09/11/88/387091188.db2.gz QLXMNSKOBUDXNM-LBPRGKRZSA-N 2 1 219.332 1.479 20 0 BDADMP C[N@H+](CC[NH2+]C1CCOCC1)C1CCCC1 ZINC000062767653 387114127 /nfs/dbraw/zinc/11/41/27/387114127.db2.gz YTWPRNVPCVSTQM-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+](CC[NH2+]C1CCOCC1)C1CCCC1 ZINC000062767653 387114132 /nfs/dbraw/zinc/11/41/32/387114132.db2.gz YTWPRNVPCVSTQM-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1CCCOC1 ZINC000250379992 387114267 /nfs/dbraw/zinc/11/42/67/387114267.db2.gz JBSFWFKUWFUXIL-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc(C)n1 ZINC000335027738 387120869 /nfs/dbraw/zinc/12/08/69/387120869.db2.gz IULPLKNWASQXQN-CHWSQXEVSA-N 2 1 219.332 1.668 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000335028694 387122110 /nfs/dbraw/zinc/12/21/10/387122110.db2.gz YUYLERONAYHDKK-CHWSQXEVSA-N 2 1 219.332 1.668 20 0 BDADMP COc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1F ZINC000423305508 387142332 /nfs/dbraw/zinc/14/23/32/387142332.db2.gz QWZGSHACCWXKDO-VIFPVBQESA-N 2 1 238.306 1.704 20 0 BDADMP CCC1(CC)[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000423309373 387145383 /nfs/dbraw/zinc/14/53/83/387145383.db2.gz ZIIUOURQTVRHHI-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP CCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423309900 387145716 /nfs/dbraw/zinc/14/57/16/387145716.db2.gz MLFLUWWGCFCKIY-JHJVBQTASA-N 2 1 227.396 1.304 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423311024 387149633 /nfs/dbraw/zinc/14/96/33/387149633.db2.gz OWSNKIGPKQGVCU-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000423321342 387165136 /nfs/dbraw/zinc/16/51/36/387165136.db2.gz HISYTJULTXJXFS-GHMZBOCLSA-N 2 1 223.364 1.083 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)CN1C1CC1 ZINC000423321342 387165142 /nfs/dbraw/zinc/16/51/42/387165142.db2.gz HISYTJULTXJXFS-GHMZBOCLSA-N 2 1 223.364 1.083 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000423328385 387169307 /nfs/dbraw/zinc/16/93/07/387169307.db2.gz DNTNQJYBNABPAV-IHRRRGAJSA-N 3 1 239.407 1.483 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206379 387172279 /nfs/dbraw/zinc/17/22/79/387172279.db2.gz YKWZUJDMYMDDDV-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP CCOC[C@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] ZINC000423342921 387193596 /nfs/dbraw/zinc/19/35/96/387193596.db2.gz ZLYMLSZBCMQBAE-MXWKQRLJSA-N 2 1 200.326 1.128 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353396412 387194103 /nfs/dbraw/zinc/19/41/03/387194103.db2.gz SUGCOPBELBJMSX-DGAVXFQQSA-N 2 1 240.391 1.610 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)Cn1cncn1 ZINC000423299984 387133299 /nfs/dbraw/zinc/13/32/99/387133299.db2.gz QRAKFLKCVNZTLX-NEPJUHHUSA-N 2 1 239.367 1.164 20 0 BDADMP C[C@@H]1CC[N@H+](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000309751978 387133360 /nfs/dbraw/zinc/13/33/60/387133360.db2.gz GYBMSDZOLWNJMI-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000309751978 387133363 /nfs/dbraw/zinc/13/33/63/387133363.db2.gz GYBMSDZOLWNJMI-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C1CC([C@H]2CC[C@H]2[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423302193 387135790 /nfs/dbraw/zinc/13/57/90/387135790.db2.gz JFIFRYGEGJYWTD-YNEHKIRRSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000423427127 387252476 /nfs/dbraw/zinc/25/24/76/387252476.db2.gz IEIXUYWTQBLZTN-RWMBFGLXSA-N 2 1 227.396 1.624 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C(C)C ZINC000571940483 387207411 /nfs/dbraw/zinc/20/74/11/387207411.db2.gz WVQGUTAIROIDDX-VXGBXAGGSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C(C)C ZINC000571940483 387207415 /nfs/dbraw/zinc/20/74/15/387207415.db2.gz WVQGUTAIROIDDX-VXGBXAGGSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C(C)C ZINC000571940483 387207419 /nfs/dbraw/zinc/20/74/19/387207419.db2.gz WVQGUTAIROIDDX-VXGBXAGGSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1C(C)C ZINC000571940483 387207422 /nfs/dbraw/zinc/20/74/22/387207422.db2.gz WVQGUTAIROIDDX-VXGBXAGGSA-N 2 1 214.353 1.029 20 0 BDADMP CN(CC[N@H+](C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000360003974 387211702 /nfs/dbraw/zinc/21/17/02/387211702.db2.gz WEAMJDKHIFNPSB-HNNXBMFYSA-N 2 1 247.386 1.792 20 0 BDADMP CN(CC[N@@H+](C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000360003974 387211703 /nfs/dbraw/zinc/21/17/03/387211703.db2.gz WEAMJDKHIFNPSB-HNNXBMFYSA-N 2 1 247.386 1.792 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423360419 387213997 /nfs/dbraw/zinc/21/39/97/387213997.db2.gz LJTLKKLACYHJSP-IJLUTSLNSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366569 387217809 /nfs/dbraw/zinc/21/78/09/387217809.db2.gz XXPFRIXUJOQQSV-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366719 387219257 /nfs/dbraw/zinc/21/92/57/387219257.db2.gz QIBWBPVFYUMHEF-SCRDCRAPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366719 387219259 /nfs/dbraw/zinc/21/92/59/387219259.db2.gz QIBWBPVFYUMHEF-SCRDCRAPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366571 387219352 /nfs/dbraw/zinc/21/93/52/387219352.db2.gz XXPFRIXUJOQQSV-XQQFMLRXSA-N 3 1 225.380 1.106 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CC=CCC1 ZINC000572054790 387224996 /nfs/dbraw/zinc/22/49/96/387224996.db2.gz ATKWHLIUVBTGGN-UONOGXRCSA-N 2 1 240.391 1.587 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CC=CCC1 ZINC000572054790 387225000 /nfs/dbraw/zinc/22/50/00/387225000.db2.gz ATKWHLIUVBTGGN-UONOGXRCSA-N 2 1 240.391 1.587 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000572054790 387225002 /nfs/dbraw/zinc/22/50/02/387225002.db2.gz ATKWHLIUVBTGGN-UONOGXRCSA-N 2 1 240.391 1.587 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000572054790 387225008 /nfs/dbraw/zinc/22/50/08/387225008.db2.gz ATKWHLIUVBTGGN-UONOGXRCSA-N 2 1 240.391 1.587 20 0 BDADMP Cn1ccnc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336400799 387229058 /nfs/dbraw/zinc/22/90/58/387229058.db2.gz MYZPAJNWTCVDKC-CYBMUJFWSA-N 2 1 248.374 1.242 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)F)c2ccccc21 ZINC000300554186 387229110 /nfs/dbraw/zinc/22/91/10/387229110.db2.gz DMJQQHKPNFUYGU-VWYCJHECSA-N 2 1 242.269 1.347 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336410455 387237872 /nfs/dbraw/zinc/23/78/72/387237872.db2.gz DEUODDCTJJCSQY-ZWNOBZJWSA-N 2 1 244.342 1.732 20 0 BDADMP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000360249687 387250325 /nfs/dbraw/zinc/25/03/25/387250325.db2.gz DODAWLUVVGDJJO-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423427268 387251935 /nfs/dbraw/zinc/25/19/35/387251935.db2.gz IKLFJYHUJBQUBJ-ZZVYKPCYSA-N 2 1 216.328 1.863 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)[C@@H]1C ZINC000423468031 387315414 /nfs/dbraw/zinc/31/54/14/387315414.db2.gz FCCKQEYEZLZNSA-ZNSHCXBVSA-N 2 1 232.318 1.865 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000423380295 387262894 /nfs/dbraw/zinc/26/28/94/387262894.db2.gz NSFVDOAVBVENSK-MEBFFEOJSA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000423380295 387262898 /nfs/dbraw/zinc/26/28/98/387262898.db2.gz NSFVDOAVBVENSK-MEBFFEOJSA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000423380295 387262900 /nfs/dbraw/zinc/26/29/00/387262900.db2.gz NSFVDOAVBVENSK-MEBFFEOJSA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000423380296 387263509 /nfs/dbraw/zinc/26/35/09/387263509.db2.gz NSFVDOAVBVENSK-RKQHYHRCSA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000423380296 387263515 /nfs/dbraw/zinc/26/35/15/387263515.db2.gz NSFVDOAVBVENSK-RKQHYHRCSA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC000423380296 387263522 /nfs/dbraw/zinc/26/35/22/387263522.db2.gz NSFVDOAVBVENSK-RKQHYHRCSA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423390693 387275658 /nfs/dbraw/zinc/27/56/58/387275658.db2.gz KEMNOLPVDIFXGG-KSTCHIGDSA-N 2 1 239.407 1.445 20 0 BDADMP C[NH2+]CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000643498521 387278029 /nfs/dbraw/zinc/27/80/29/387278029.db2.gz PHWMBUFPIUAFNP-LBPRGKRZSA-N 2 1 219.332 1.658 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000372176543 387280134 /nfs/dbraw/zinc/28/01/34/387280134.db2.gz UVINCMWODKHAMP-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000372176543 387280142 /nfs/dbraw/zinc/28/01/42/387280142.db2.gz UVINCMWODKHAMP-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccncc1 ZINC000423432254 387283735 /nfs/dbraw/zinc/28/37/35/387283735.db2.gz OIVQJWMBPXUZHO-QNWHQSFQSA-N 2 1 217.316 1.340 20 0 BDADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459746125 387283930 /nfs/dbraw/zinc/28/39/30/387283930.db2.gz YZRJKOQLMIZNQE-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437785 387288766 /nfs/dbraw/zinc/28/87/66/387288766.db2.gz QQZFLAXYUHAKNH-OSRDXIQISA-N 2 1 243.354 1.741 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)C1(C)C ZINC000234819034 387319281 /nfs/dbraw/zinc/31/92/81/387319281.db2.gz IOGDPYYBAHTWPP-NWDGAFQWSA-N 2 1 237.347 1.595 20 0 BDADMP Cc1cncc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000423444340 387294891 /nfs/dbraw/zinc/29/48/91/387294891.db2.gz LQMBRDJUJFBSHU-MXWKQRLJSA-N 2 1 207.321 1.776 20 0 BDADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423444586 387295372 /nfs/dbraw/zinc/29/53/72/387295372.db2.gz BCFKNXMMTDFWMJ-UMVBOHGHSA-N 3 1 249.402 1.662 20 0 BDADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000643499647 387304478 /nfs/dbraw/zinc/30/44/78/387304478.db2.gz CBMBLVIBGVELPO-GJZGRUSLSA-N 2 1 230.355 1.886 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccncc1 ZINC000423459799 387308228 /nfs/dbraw/zinc/30/82/28/387308228.db2.gz IKAXYTNULFOKIK-FOGDFJRCSA-N 2 1 207.321 1.858 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423527396 387356310 /nfs/dbraw/zinc/35/63/10/387356310.db2.gz MGOLYCMTPQGMOS-SMDDNHRTSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1C ZINC000423532935 387358531 /nfs/dbraw/zinc/35/85/31/387358531.db2.gz SDNCKAHMPLRZGQ-KWCYVHTRSA-N 2 1 239.407 1.576 20 0 BDADMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423529680 387358663 /nfs/dbraw/zinc/35/86/63/387358663.db2.gz XTUDZPCLMRCEHI-OLZOCXBDSA-N 2 1 241.423 1.694 20 0 BDADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423529682 387358787 /nfs/dbraw/zinc/35/87/87/387358787.db2.gz XTUDZPCLMRCEHI-STQMWFEESA-N 2 1 241.423 1.694 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532626 387359264 /nfs/dbraw/zinc/35/92/64/387359264.db2.gz VMEVDFUYQVEOQR-ZDUSSCGKSA-N 2 1 248.374 1.529 20 0 BDADMP C[C@H]1C[C@@H](NCCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000423530346 387359431 /nfs/dbraw/zinc/35/94/31/387359431.db2.gz RCRZALNDGWIEDD-WCQYABFASA-N 2 1 237.391 1.343 20 0 BDADMP Cc1ncc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)n1 ZINC000423533618 387361681 /nfs/dbraw/zinc/36/16/81/387361681.db2.gz XZYXFZYDSMKUKG-JTQLQIEISA-N 2 1 248.374 1.886 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423553699 387372695 /nfs/dbraw/zinc/37/26/95/387372695.db2.gz KTQPUNRTJKZEPR-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423549743 387373567 /nfs/dbraw/zinc/37/35/67/387373567.db2.gz IEBLLKAUOPJJLP-WCQYABFASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1CCCO1 ZINC000423573786 387379335 /nfs/dbraw/zinc/37/93/35/387379335.db2.gz ZOEABOLXWRYEHV-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000373554376 387380205 /nfs/dbraw/zinc/38/02/05/387380205.db2.gz LLEWRAVOKUVBRR-VXGBXAGGSA-N 2 1 237.347 1.460 20 0 BDADMP CC[C@H](NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423480089 387326090 /nfs/dbraw/zinc/32/60/90/387326090.db2.gz MVIKJZQMFUMSDR-IHRRRGAJSA-N 2 1 239.407 1.639 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000423483733 387328646 /nfs/dbraw/zinc/32/86/46/387328646.db2.gz ZBRUESCJTNAFEQ-QJPTWQEYSA-N 3 1 248.374 1.662 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423483713 387329669 /nfs/dbraw/zinc/32/96/69/387329669.db2.gz YXRWJZUIVUHWJQ-LPWJVIDDSA-N 3 1 225.380 1.092 20 0 BDADMP C[C@@H](NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423487932 387333716 /nfs/dbraw/zinc/33/37/16/387333716.db2.gz UVVBHIVKOAHVTH-JHJVBQTASA-N 2 1 225.380 1.249 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000336511083 387336185 /nfs/dbraw/zinc/33/61/85/387336185.db2.gz BVXWAKPANLBBBW-LLVKDONJSA-N 2 1 245.330 1.143 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cn[nH]c1 ZINC000423498564 387341426 /nfs/dbraw/zinc/34/14/26/387341426.db2.gz IEYSPHDDVLELGL-JOYOIKCWSA-N 2 1 222.336 1.578 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423513653 387348605 /nfs/dbraw/zinc/34/86/05/387348605.db2.gz VNBUYISXHURPPB-RTXFEEFZSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423513653 387348607 /nfs/dbraw/zinc/34/86/07/387348607.db2.gz VNBUYISXHURPPB-RTXFEEFZSA-N 2 1 225.380 1.044 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000515845842 387432942 /nfs/dbraw/zinc/43/29/42/387432942.db2.gz UYFKJFHWRHSKTC-VIFPVBQESA-N 2 1 240.376 1.033 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000516044825 387449126 /nfs/dbraw/zinc/44/91/26/387449126.db2.gz UDRUJTVYPKLNKB-TZMCWYRMSA-N 3 1 239.407 1.306 20 0 BDADMP CCN1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000516044825 387449129 /nfs/dbraw/zinc/44/91/29/387449129.db2.gz UDRUJTVYPKLNKB-TZMCWYRMSA-N 2 1 239.407 1.306 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCF ZINC000374419696 387452658 /nfs/dbraw/zinc/45/26/58/387452658.db2.gz IWTPLPHUARFGJK-FRRDWIJNSA-N 2 1 244.354 1.530 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cn[nH]c1 ZINC000310309623 387537687 /nfs/dbraw/zinc/53/76/87/387537687.db2.gz TXFMSDGQXJFXSA-NWDGAFQWSA-N 2 1 236.363 1.792 20 0 BDADMP c1ccc2c(c1)CC[C@H]([NH2+]CC[NH2+]C1CC1)C2 ZINC000643505853 387464614 /nfs/dbraw/zinc/46/46/14/387464614.db2.gz BOIYUSDKRAZYAO-HNNXBMFYSA-N 2 1 230.355 1.886 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643507647 387479827 /nfs/dbraw/zinc/47/98/27/387479827.db2.gz LOKOKGHYACVENW-NEPJUHHUSA-N 2 1 212.337 1.286 20 0 BDADMP Cc1ccc(CCC[N@@H+]2C[C@@H](C)[C@H](CO)C2)cn1 ZINC000355147702 387488106 /nfs/dbraw/zinc/48/81/06/387488106.db2.gz DHBMRVQPHSMWJI-DOMZBBRYSA-N 2 1 248.370 1.883 20 0 BDADMP c1cn(CC[N@H+]2CCCO[C@H]3CCC[C@H]32)cn1 ZINC000362181336 387580935 /nfs/dbraw/zinc/58/09/35/387580935.db2.gz RPQIYCDJIBHTKJ-OLZOCXBDSA-N 2 1 235.331 1.527 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422715936 387628885 /nfs/dbraw/zinc/62/88/85/387628885.db2.gz SYXUCRPDFPPIBB-CWSCBRNRSA-N 2 1 237.347 1.552 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561432 387602233 /nfs/dbraw/zinc/60/22/33/387602233.db2.gz LETNTBNWMFHIAI-USWWRNFRSA-N 2 1 236.363 1.523 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561432 387602237 /nfs/dbraw/zinc/60/22/37/387602237.db2.gz LETNTBNWMFHIAI-USWWRNFRSA-N 2 1 236.363 1.523 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422698412 387616017 /nfs/dbraw/zinc/61/60/17/387616017.db2.gz ZESBWWUCXIWOBL-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422703597 387618458 /nfs/dbraw/zinc/61/84/58/387618458.db2.gz NMTQEOQSFSHOFE-KGLIPLIRSA-N 2 1 239.407 1.720 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCC[C@@H]1O ZINC000305636547 387619795 /nfs/dbraw/zinc/61/97/95/387619795.db2.gz ORZLZNOGZKVUTC-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCC[C@@H]1O ZINC000305636547 387619798 /nfs/dbraw/zinc/61/97/98/387619798.db2.gz ORZLZNOGZKVUTC-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCC[C@@H]1O ZINC000305636547 387619803 /nfs/dbraw/zinc/61/98/03/387619803.db2.gz ORZLZNOGZKVUTC-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000643516108 387621612 /nfs/dbraw/zinc/62/16/12/387621612.db2.gz FLWHTIRUISUVGR-CYBMUJFWSA-N 2 1 238.281 1.761 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1(O)CCCC1 ZINC000305652673 387623296 /nfs/dbraw/zinc/62/32/96/387623296.db2.gz UXSFOKRVICVSPO-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1(O)CCCC1 ZINC000305652673 387623301 /nfs/dbraw/zinc/62/33/01/387623301.db2.gz UXSFOKRVICVSPO-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1(O)CCCC1 ZINC000305652673 387623305 /nfs/dbraw/zinc/62/33/05/387623305.db2.gz UXSFOKRVICVSPO-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422708585 387623652 /nfs/dbraw/zinc/62/36/52/387623652.db2.gz JHRFNGJUFZOAID-QCNOEVLYSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCc1cccnc1)C1CC1 ZINC000430559098 387627023 /nfs/dbraw/zinc/62/70/23/387627023.db2.gz RUHKCDNLMHXUJT-ZDUSSCGKSA-N 2 1 219.332 1.341 20 0 BDADMP CC[C@@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305115452 387555269 /nfs/dbraw/zinc/55/52/69/387555269.db2.gz HUTRNJTUUABQKL-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000399588419 387557618 /nfs/dbraw/zinc/55/76/18/387557618.db2.gz JUBYIHHUBNDEQW-GFQSEFKGSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000399588419 387557621 /nfs/dbraw/zinc/55/76/21/387557621.db2.gz JUBYIHHUBNDEQW-GFQSEFKGSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@@H]1[C@@H](C)[C@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000399588419 387557637 /nfs/dbraw/zinc/55/76/37/387557637.db2.gz JUBYIHHUBNDEQW-GFQSEFKGSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@@H]1[C@@H](C)[C@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000399588419 387557639 /nfs/dbraw/zinc/55/76/39/387557639.db2.gz JUBYIHHUBNDEQW-GFQSEFKGSA-N 2 1 240.391 1.418 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000426356529 387559214 /nfs/dbraw/zinc/55/92/14/387559214.db2.gz KXMVTLKCJHWJOW-GFCCVEGCSA-N 2 1 228.380 1.543 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCc1ccccc1)C1CC1 ZINC000430583744 387630479 /nfs/dbraw/zinc/63/04/79/387630479.db2.gz NEDMMHMPSSRZSK-AWEZNQCLSA-N 2 1 218.344 1.946 20 0 BDADMP Cc1ccc2nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cn2c1 ZINC000422721870 387633522 /nfs/dbraw/zinc/63/35/22/387633522.db2.gz WFYOUXRKTJXRIK-NWDGAFQWSA-N 2 1 246.358 1.858 20 0 BDADMP CCOCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422726464 387635664 /nfs/dbraw/zinc/63/56/64/387635664.db2.gz ZZZRLCOHTGQIMT-NSHDSACASA-N 2 1 237.347 1.961 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430619193 387636920 /nfs/dbraw/zinc/63/69/20/387636920.db2.gz ZSKVFQARKAEHLC-LLVKDONJSA-N 2 1 237.347 1.716 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430619193 387636923 /nfs/dbraw/zinc/63/69/23/387636923.db2.gz ZSKVFQARKAEHLC-LLVKDONJSA-N 2 1 237.347 1.716 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)CC[N@H+]1C ZINC000149295094 387649763 /nfs/dbraw/zinc/64/97/63/387649763.db2.gz XNDPVXOEVNKIOQ-WOPDTQHZSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1c[nH+]ccc1N ZINC000422747884 387651178 /nfs/dbraw/zinc/65/11/78/387651178.db2.gz ZSSIWNRFMGLENZ-WDEREUQCSA-N 2 1 248.374 1.627 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000422748505 387652687 /nfs/dbraw/zinc/65/26/87/387652687.db2.gz UUUQOPCGUPUFNE-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000422748503 387653275 /nfs/dbraw/zinc/65/32/75/387653275.db2.gz UUUQOPCGUPUFNE-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP CCC[C@H](C)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402086 387653330 /nfs/dbraw/zinc/65/33/30/387653330.db2.gz CYDYXHOMRIVOFT-VIFPVBQESA-N 2 1 240.351 1.884 20 0 BDADMP CCC[C@H](C)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402086 387653336 /nfs/dbraw/zinc/65/33/36/387653336.db2.gz CYDYXHOMRIVOFT-VIFPVBQESA-N 2 1 240.351 1.884 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000422749846 387655390 /nfs/dbraw/zinc/65/53/90/387655390.db2.gz BDERMMGQPWAEHT-NEPJUHHUSA-N 2 1 238.306 1.674 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000422750721 387655881 /nfs/dbraw/zinc/65/58/81/387655881.db2.gz DOGPBINQZWJKHE-CHWSQXEVSA-N 2 1 220.316 1.535 20 0 BDADMP COc1ccccc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422756020 387659501 /nfs/dbraw/zinc/65/95/01/387659501.db2.gz IPNZJYQVTYKQOX-TZMCWYRMSA-N 2 1 248.370 1.825 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+](C)Cc1ccccc1 ZINC000422756560 387661718 /nfs/dbraw/zinc/66/17/18/387661718.db2.gz JASJJMUORMQZBC-KBPBESRZSA-N 2 1 249.402 1.834 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+](C)Cc1ccccc1 ZINC000422756560 387661720 /nfs/dbraw/zinc/66/17/20/387661720.db2.gz JASJJMUORMQZBC-KBPBESRZSA-N 2 1 249.402 1.834 20 0 BDADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1C[NH2+]C1 ZINC000422761865 387662805 /nfs/dbraw/zinc/66/28/05/387662805.db2.gz NAWCZCGXNROLFT-AAEUAGOBSA-N 3 1 241.423 1.550 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422766499 387668125 /nfs/dbraw/zinc/66/81/25/387668125.db2.gz XLQNYODLPBOUSB-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422767324 387668275 /nfs/dbraw/zinc/66/82/75/387668275.db2.gz RXOSYKAKWXWRMD-CABCVRRESA-N 2 1 247.386 1.588 20 0 BDADMP CN(CC[NH2+][C@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422767324 387668280 /nfs/dbraw/zinc/66/82/80/387668280.db2.gz RXOSYKAKWXWRMD-CABCVRRESA-N 2 1 247.386 1.588 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422768090 387668465 /nfs/dbraw/zinc/66/84/65/387668465.db2.gz UFHNMYGTEYLQBE-IJLUTSLNSA-N 2 1 228.380 1.514 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cnn(-c2ccccc2)c1 ZINC000123281364 387672843 /nfs/dbraw/zinc/67/28/43/387672843.db2.gz JAXOEXIODQDKAQ-UHFFFAOYSA-N 2 1 244.342 1.653 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cnn(-c2ccccc2)c1 ZINC000123281364 387672848 /nfs/dbraw/zinc/67/28/48/387672848.db2.gz JAXOEXIODQDKAQ-UHFFFAOYSA-N 2 1 244.342 1.653 20 0 BDADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)ccn1 ZINC000527724790 387676146 /nfs/dbraw/zinc/67/61/46/387676146.db2.gz BZSVKWMRBFOXLP-UHFFFAOYSA-N 2 1 230.315 1.456 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000422778625 387679136 /nfs/dbraw/zinc/67/91/36/387679136.db2.gz HMDNJIJWQIBBRE-MQYQWHSLSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCN1C ZINC000422778625 387679142 /nfs/dbraw/zinc/67/91/42/387679142.db2.gz HMDNJIJWQIBBRE-MQYQWHSLSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000422778625 387679149 /nfs/dbraw/zinc/67/91/49/387679149.db2.gz HMDNJIJWQIBBRE-MQYQWHSLSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000422778625 387679153 /nfs/dbraw/zinc/67/91/53/387679153.db2.gz HMDNJIJWQIBBRE-MQYQWHSLSA-N 3 1 239.407 1.447 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422781894 387681864 /nfs/dbraw/zinc/68/18/64/387681864.db2.gz LHKIVIRIAAVLBQ-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cnn(C)c1 ZINC000044494415 387684300 /nfs/dbraw/zinc/68/43/00/387684300.db2.gz MUZCLOVSNAETDI-NSHDSACASA-N 2 1 238.379 1.659 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422787236 387686621 /nfs/dbraw/zinc/68/66/21/387686621.db2.gz UEZRQXDWJVVKHX-MFKMUULPSA-N 2 1 237.347 1.552 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422786116 387687551 /nfs/dbraw/zinc/68/75/51/387687551.db2.gz SBCMXWLZTMSTBV-MROQNXINSA-N 2 1 225.380 1.199 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000643525336 387743212 /nfs/dbraw/zinc/74/32/12/387743212.db2.gz XCNIBFKJNFUTQM-YVECIDJPSA-N 2 1 226.364 1.674 20 0 BDADMP CCc1cnc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000422796948 387700245 /nfs/dbraw/zinc/70/02/45/387700245.db2.gz ZPDPCRMQXLVOII-IUCAKERBSA-N 2 1 227.377 1.921 20 0 BDADMP COCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000045025078 387703278 /nfs/dbraw/zinc/70/32/78/387703278.db2.gz NPRYUQLMOPTSEM-NSHDSACASA-N 2 1 226.364 1.628 20 0 BDADMP c1cnn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000422808610 387708432 /nfs/dbraw/zinc/70/84/32/387708432.db2.gz LDTBMKKEYCHHMT-RWMBFGLXSA-N 2 1 234.347 1.318 20 0 BDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000422821976 387718084 /nfs/dbraw/zinc/71/80/84/387718084.db2.gz ZMNMCCSFWKMRFQ-FZMZJTMJSA-N 2 1 218.344 1.945 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000422876967 387755428 /nfs/dbraw/zinc/75/54/28/387755428.db2.gz GZWOECFOXCBDKJ-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP CCN(CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000422876967 387755434 /nfs/dbraw/zinc/75/54/34/387755434.db2.gz GZWOECFOXCBDKJ-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccnc1 ZINC000422823700 387720720 /nfs/dbraw/zinc/72/07/20/387720720.db2.gz DWZSOCJKCWHBNB-YPMHNXCESA-N 2 1 219.332 1.212 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccn(C)n1 ZINC000643523226 387727751 /nfs/dbraw/zinc/72/77/51/387727751.db2.gz YBGMMWMREKHBLT-VXGBXAGGSA-N 2 1 236.363 1.603 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(CC)CC ZINC000422835071 387728279 /nfs/dbraw/zinc/72/82/79/387728279.db2.gz IDNFIFLIHBOZFS-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000422839182 387728410 /nfs/dbraw/zinc/72/84/10/387728410.db2.gz PTZGXFFVCPSOSJ-WCFLWFBJSA-N 3 1 225.380 1.057 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422835748 387729602 /nfs/dbraw/zinc/72/96/02/387729602.db2.gz IZAAMTCDUQSORD-YRGRVCCFSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000422858251 387740447 /nfs/dbraw/zinc/74/04/47/387740447.db2.gz IEVBZJONANWBRZ-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422891859 387762397 /nfs/dbraw/zinc/76/23/97/387762397.db2.gz LSMIPFYZUJJMFM-ZJUUUORDSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000643527480 387765561 /nfs/dbraw/zinc/76/55/61/387765561.db2.gz NMMIGHSCNMFXDN-MNOVXSKESA-N 2 1 245.330 1.265 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[NH3+])CC2 ZINC000643528492 387769118 /nfs/dbraw/zinc/76/91/18/387769118.db2.gz KDMRLTGJRGGNLC-MFKMUULPSA-N 2 1 204.317 1.919 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422912321 387770524 /nfs/dbraw/zinc/77/05/24/387770524.db2.gz VZVBGVPFLFMIPN-HZSPNIEDSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422911510 387770749 /nfs/dbraw/zinc/77/07/49/387770749.db2.gz TXOMICBFFSYXHF-IYXRBSQSSA-N 3 1 241.423 1.824 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422911510 387770753 /nfs/dbraw/zinc/77/07/53/387770753.db2.gz TXOMICBFFSYXHF-IYXRBSQSSA-N 3 1 241.423 1.824 20 0 BDADMP c1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000422914440 387771308 /nfs/dbraw/zinc/77/13/08/387771308.db2.gz UFVKZKMLLHZIRB-CABCVRRESA-N 2 1 230.355 1.959 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000643529247 387772570 /nfs/dbraw/zinc/77/25/70/387772570.db2.gz XNCSBEDQPZWJNZ-QPUJVOFHSA-N 2 1 208.280 1.750 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422916087 387773255 /nfs/dbraw/zinc/77/32/55/387773255.db2.gz ZXOBAOISZZZYAU-QWHCGFSZSA-N 2 1 236.363 1.653 20 0 BDADMP COC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422934463 387782832 /nfs/dbraw/zinc/78/28/32/387782832.db2.gz JLSOLFZDXKOLLH-YUSALJHKSA-N 2 1 212.337 1.142 20 0 BDADMP CCOCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422902393 387786915 /nfs/dbraw/zinc/78/69/15/387786915.db2.gz UPPQYQIMOIROAQ-OCCSQVGLSA-N 2 1 236.359 1.571 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)[C@@H]1CCC[NH2+]1 ZINC000422979752 387791058 /nfs/dbraw/zinc/79/10/58/387791058.db2.gz NRTTTYNYGKZTEK-RHYQMDGZSA-N 2 1 246.420 1.219 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422980707 387791498 /nfs/dbraw/zinc/79/14/98/387791498.db2.gz QQZIPGLUTQMGHT-ZWNOBZJWSA-N 2 1 237.347 1.552 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422982403 387793513 /nfs/dbraw/zinc/79/35/13/387793513.db2.gz WOUGKWFUTXMSSK-YNEHKIRRSA-N 2 1 228.380 1.658 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000422986779 387796023 /nfs/dbraw/zinc/79/60/23/387796023.db2.gz HIDZAGVAWDWGBS-NEPJUHHUSA-N 3 1 241.423 1.965 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC23CC(C2)CO3)[C@H](C)C1 ZINC000527978966 387796908 /nfs/dbraw/zinc/79/69/08/387796908.db2.gz LZQYCCIRVAFWSA-NELGMTEASA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000051627716 387799864 /nfs/dbraw/zinc/79/98/64/387799864.db2.gz QTVQBQWADZACIK-ZIAGYGMSSA-N 2 1 236.359 1.650 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000527975282 387813287 /nfs/dbraw/zinc/81/32/87/387813287.db2.gz UAWZIGMUIPGTIQ-LOWDOPEQSA-N 2 1 226.364 1.484 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527975282 387813289 /nfs/dbraw/zinc/81/32/89/387813289.db2.gz UAWZIGMUIPGTIQ-LOWDOPEQSA-N 2 1 226.364 1.484 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422999458 387804049 /nfs/dbraw/zinc/80/40/49/387804049.db2.gz FDWJARSPCVOWAF-VXGBXAGGSA-N 2 1 228.380 1.373 20 0 BDADMP COc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423001887 387804611 /nfs/dbraw/zinc/80/46/11/387804611.db2.gz FDVNOUSWUPPACJ-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000422963413 387813469 /nfs/dbraw/zinc/81/34/69/387813469.db2.gz IMUQONFCXVOKCM-STQMWFEESA-N 3 1 227.396 1.578 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422952487 387809402 /nfs/dbraw/zinc/80/94/02/387809402.db2.gz CNEJFMRJBOSBBG-WOPDTQHZSA-N 3 1 238.379 1.543 20 0 BDADMP CC[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000422876174 387756679 /nfs/dbraw/zinc/75/66/79/387756679.db2.gz FFOOAZNQHNREDD-FUNVUKJBSA-N 2 1 237.391 1.343 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527855757 387757971 /nfs/dbraw/zinc/75/79/71/387757971.db2.gz OATVGQYTZQFRJV-JQWIXIFHSA-N 2 1 219.332 1.970 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422881972 387758149 /nfs/dbraw/zinc/75/81/49/387758149.db2.gz RLKKSGAYLGCPLS-QWHCGFSZSA-N 2 1 227.396 1.304 20 0 BDADMP CC[C@H](NCC[N@@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422880875 387758284 /nfs/dbraw/zinc/75/82/84/387758284.db2.gz PEAXIEQMZNPQPA-STQMWFEESA-N 2 1 227.396 1.447 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422975488 387823576 /nfs/dbraw/zinc/82/35/76/387823576.db2.gz GYKWMPOUQVJFKG-GWCFXTLKSA-N 2 1 237.347 1.696 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423006492 387828286 /nfs/dbraw/zinc/82/82/86/387828286.db2.gz VMGPRXOFCUMDMZ-AVGNSLFASA-N 2 1 242.407 1.617 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(C)(C)CO ZINC000423008958 387831831 /nfs/dbraw/zinc/83/18/31/387831831.db2.gz UXSBQLFJQUDQTR-NWDGAFQWSA-N 2 1 228.380 1.373 20 0 BDADMP C[C@@H]([NH2+]CC1(CO)CCC1)c1c[nH+]ccc1N ZINC000423025834 387843427 /nfs/dbraw/zinc/84/34/27/387843427.db2.gz ADQLPHNXKQMCFT-SNVBAGLBSA-N 2 1 235.331 1.307 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423026489 387843729 /nfs/dbraw/zinc/84/37/29/387843729.db2.gz BJDLEOVGCXKUHN-NOOOWODRSA-N 2 1 214.353 1.266 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000643533220 387845191 /nfs/dbraw/zinc/84/51/91/387845191.db2.gz UFHAHNWVEBQJCZ-UWVGGRQHSA-N 2 1 224.352 1.886 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000643533222 387845385 /nfs/dbraw/zinc/84/53/85/387845385.db2.gz UFHAHNWVEBQJCZ-ZJUUUORDSA-N 2 1 224.352 1.886 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000423035733 387850421 /nfs/dbraw/zinc/85/04/21/387850421.db2.gz JWNHVSYOMLXTLZ-AWEZNQCLSA-N 2 1 237.391 1.370 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423037080 387851004 /nfs/dbraw/zinc/85/10/04/387851004.db2.gz MGYAPQRJSQJRQL-OLZOCXBDSA-N 3 1 241.423 1.824 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423056678 387862034 /nfs/dbraw/zinc/86/20/34/387862034.db2.gz XXZIFNLGSPHXCL-QECUIDCMSA-N 2 1 212.337 1.044 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460255 387874456 /nfs/dbraw/zinc/87/44/56/387874456.db2.gz GYPCXIPVHUKQHM-DYEKYZERSA-N 2 1 233.359 1.915 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423056675 387863413 /nfs/dbraw/zinc/86/34/13/387863413.db2.gz XXZIFNLGSPHXCL-LAXGUNSLSA-N 2 1 212.337 1.044 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423067983 387869446 /nfs/dbraw/zinc/86/94/46/387869446.db2.gz JAQXDGCLSJHCBE-NWDGAFQWSA-N 2 1 228.380 1.658 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423067984 387870025 /nfs/dbraw/zinc/87/00/25/387870025.db2.gz JAQXDGCLSJHCBE-RYUDHWBXSA-N 2 1 228.380 1.658 20 0 BDADMP CC[C@@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423067257 387870505 /nfs/dbraw/zinc/87/05/05/387870505.db2.gz GRQYIWZLXKQDNJ-BDAKNGLRSA-N 2 1 240.269 1.643 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCSC1)c1c[nH+]ccc1N ZINC000423085822 387880246 /nfs/dbraw/zinc/88/02/46/387880246.db2.gz LKIGYGSPBMKMBV-ZJUUUORDSA-N 2 1 237.372 1.898 20 0 BDADMP Cc1csc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000643460723 387885320 /nfs/dbraw/zinc/88/53/20/387885320.db2.gz MGXLGFNQTHJDDR-MWLCHTKSSA-N 2 1 239.388 1.582 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000423100047 387886750 /nfs/dbraw/zinc/88/67/50/387886750.db2.gz BHWFIPVPZVOSBN-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423129425 387907236 /nfs/dbraw/zinc/90/72/36/387907236.db2.gz XAHBDMJPFGQXQI-MCIONIFRSA-N 2 1 241.423 1.837 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133167 387910089 /nfs/dbraw/zinc/91/00/89/387910089.db2.gz CHAZPGBTAQKELW-RDBSUJKOSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423133482 387910949 /nfs/dbraw/zinc/91/09/49/387910949.db2.gz KTKZAMLWTGQAJQ-LOWDOPEQSA-N 2 1 244.354 1.481 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423135211 387912374 /nfs/dbraw/zinc/91/23/74/387912374.db2.gz FNNZXLABHVHHKD-RDBSUJKOSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@H]([NH2+][C@H](CO)CC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423135796 387914514 /nfs/dbraw/zinc/91/45/14/387914514.db2.gz ULHAEWJVCDEZGN-DRZSPHRISA-N 2 1 226.364 1.268 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000423151860 387929929 /nfs/dbraw/zinc/92/99/29/387929929.db2.gz DAQJVEJBKFFXER-WUHRBBMRSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000423153281 387931444 /nfs/dbraw/zinc/93/14/44/387931444.db2.gz HJGBBNMUSQALAN-AGIUHOORSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423155065 387933708 /nfs/dbraw/zinc/93/37/08/387933708.db2.gz ISVFQFUAPYGHIT-UTUOFQBUSA-N 2 1 214.353 1.125 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000050225617 387927303 /nfs/dbraw/zinc/92/73/03/387927303.db2.gz FMBDAEXHWIUTQA-SNVBAGLBSA-N 2 1 210.346 1.837 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2cncn2c1 ZINC000423167898 387951889 /nfs/dbraw/zinc/95/18/89/387951889.db2.gz FZOKAXLTRYAAGE-WDEREUQCSA-N 2 1 232.331 1.550 20 0 BDADMP CCCc1ncc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])o1 ZINC000423168769 387955164 /nfs/dbraw/zinc/95/51/64/387955164.db2.gz YKUUEAYVKNYUKR-JQWIXIFHSA-N 2 1 237.347 1.844 20 0 BDADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000423170065 387955500 /nfs/dbraw/zinc/95/55/00/387955500.db2.gz XIGHXPVPVCCBGX-RUZUBIRVSA-N 2 1 234.343 1.058 20 0 BDADMP CCn1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000423169041 387955790 /nfs/dbraw/zinc/95/57/90/387955790.db2.gz IRJGVGZAHRQMDE-CMPLNLGQSA-N 2 1 222.336 1.120 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423159193 387939825 /nfs/dbraw/zinc/93/98/25/387939825.db2.gz FMXWBBOJVKKYCJ-RWMBFGLXSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423162816 387946770 /nfs/dbraw/zinc/94/67/70/387946770.db2.gz QHFWCOJUYPUTIN-LOWDOPEQSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423165650 387948205 /nfs/dbraw/zinc/94/82/05/387948205.db2.gz UNUPEXNIEVNONZ-MNOVXSKESA-N 2 1 228.380 1.371 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCCC[NH2+]1 ZINC000423171012 387958208 /nfs/dbraw/zinc/95/82/08/387958208.db2.gz ZILNMUVDQFXNQX-NDBYEHHHSA-N 2 1 226.364 1.674 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423172952 387958953 /nfs/dbraw/zinc/95/89/53/387958953.db2.gz WCLFXXPBXNESNO-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[NH3+] ZINC000423178746 387963768 /nfs/dbraw/zinc/96/37/68/387963768.db2.gz IKBVZYPFQBRRDM-VIFPVBQESA-N 2 1 239.294 1.091 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000245597161 387964149 /nfs/dbraw/zinc/96/41/49/387964149.db2.gz HTLFEPKSNCURGM-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000245597161 387964151 /nfs/dbraw/zinc/96/41/51/387964151.db2.gz HTLFEPKSNCURGM-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCCO1 ZINC000245597161 387964156 /nfs/dbraw/zinc/96/41/56/387964156.db2.gz HTLFEPKSNCURGM-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH3+])C1 ZINC000423182374 387967242 /nfs/dbraw/zinc/96/72/42/387967242.db2.gz LPRQRUWFAPWAPZ-JSGCOSHPSA-N 2 1 233.359 1.370 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CC1(N)CCCCC1 ZINC000423185008 387969001 /nfs/dbraw/zinc/96/90/01/387969001.db2.gz ULNRXQBJRUVXBV-GFCCVEGCSA-N 2 1 227.396 1.755 20 0 BDADMP CC[C@H]([NH2+]CC[NH3+])c1cccc(OC)c1 ZINC000423187396 387970862 /nfs/dbraw/zinc/97/08/62/387970862.db2.gz PGDCNWCRUXUVFM-LBPRGKRZSA-N 2 1 208.305 1.695 20 0 BDADMP CCn1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000423171026 387956773 /nfs/dbraw/zinc/95/67/73/387956773.db2.gz NDWQKCIMTVEVIQ-YPMHNXCESA-N 2 1 236.363 1.510 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170882 387957152 /nfs/dbraw/zinc/95/71/52/387957152.db2.gz NAEWIVHUIZEIFZ-IHRRRGAJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170882 387957156 /nfs/dbraw/zinc/95/71/56/387957156.db2.gz NAEWIVHUIZEIFZ-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170882 387957160 /nfs/dbraw/zinc/95/71/60/387957160.db2.gz NAEWIVHUIZEIFZ-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CCNC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423171514 387957574 /nfs/dbraw/zinc/95/75/74/387957574.db2.gz OSWUHKDSXFUOCD-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423171514 387957577 /nfs/dbraw/zinc/95/75/77/387957577.db2.gz OSWUHKDSXFUOCD-MGPQQGTHSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423171514 387957582 /nfs/dbraw/zinc/95/75/82/387957582.db2.gz OSWUHKDSXFUOCD-MGPQQGTHSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423194992 387979478 /nfs/dbraw/zinc/97/94/78/387979478.db2.gz XCCTXTAKJXLJNV-GWOFURMSSA-N 2 1 214.378 1.611 20 0 BDADMP [NH3+]Cc1ccc(-c2noc(C3([NH3+])CC3)n2)cc1 ZINC000424336643 387981034 /nfs/dbraw/zinc/98/10/34/387981034.db2.gz JTVXUBJCFFRZBK-UHFFFAOYSA-N 2 1 230.271 1.143 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000423188044 387974250 /nfs/dbraw/zinc/97/42/50/387974250.db2.gz QBAMPSWTXGGZTJ-YTWAJWBKSA-N 2 1 200.301 1.737 20 0 BDADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000423209275 387993621 /nfs/dbraw/zinc/99/36/21/387993621.db2.gz IVUVZGAPMPAKRE-NWDGAFQWSA-N 2 1 236.363 1.553 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCC[C@H]1C ZINC000453103382 387983502 /nfs/dbraw/zinc/98/35/02/387983502.db2.gz RPWNVNHGAFWADY-MQYQWHSLSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000453102368 387983579 /nfs/dbraw/zinc/98/35/79/387983579.db2.gz PKAJQLOFOKWWME-MROQNXINSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423214251 387997312 /nfs/dbraw/zinc/99/73/12/387997312.db2.gz ONFHYTGPMPNHSH-BZPMIXESSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423214251 387997317 /nfs/dbraw/zinc/99/73/17/387997317.db2.gz ONFHYTGPMPNHSH-BZPMIXESSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424375174 387998550 /nfs/dbraw/zinc/99/85/50/387998550.db2.gz MMZXZBLTMTXJBH-IGHBBLSQSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1C ZINC000424376495 387999553 /nfs/dbraw/zinc/99/95/53/387999553.db2.gz PKGURUYHTJNCMX-YVECIDJPSA-N 2 1 225.380 1.329 20 0 BDADMP C[N@@H+](CCOCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000086638467 135091693 /nfs/dbraw/zinc/09/16/93/135091693.db2.gz MPKMPALYCLRXRO-UHFFFAOYSA-N 2 1 242.285 1.482 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246015472 388002425 /nfs/dbraw/zinc/00/24/25/388002425.db2.gz SSCZUFZLJGZCTH-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000423221686 388002792 /nfs/dbraw/zinc/00/27/92/388002792.db2.gz XQOCZJYYHVVVBH-REWJHTLYSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOCC2)CC[N@@H+]1C ZINC000246029267 388002768 /nfs/dbraw/zinc/00/27/68/388002768.db2.gz XLUWXPHBPZDUSA-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOCC2)CC[N@H+]1C ZINC000246029267 388002773 /nfs/dbraw/zinc/00/27/73/388002773.db2.gz XLUWXPHBPZDUSA-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000423221686 388002795 /nfs/dbraw/zinc/00/27/95/388002795.db2.gz XQOCZJYYHVVVBH-REWJHTLYSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423224196 388005350 /nfs/dbraw/zinc/00/53/50/388005350.db2.gz IMQYLFXCKJHBCI-TUAOUCFPSA-N 2 1 224.348 1.143 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423225063 388007467 /nfs/dbraw/zinc/00/74/67/388007467.db2.gz LDTKAKJWSLZATD-VXGBXAGGSA-N 2 1 228.380 1.635 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)CC[N@@H+]1C ZINC000156610042 388009825 /nfs/dbraw/zinc/00/98/25/388009825.db2.gz CFDCVPUVCOYHBM-IJLUTSLNSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)CC[N@H+]1C ZINC000156610042 388009830 /nfs/dbraw/zinc/00/98/30/388009830.db2.gz CFDCVPUVCOYHBM-IJLUTSLNSA-N 2 1 228.405 1.954 20 0 BDADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000453203523 388009796 /nfs/dbraw/zinc/00/97/96/388009796.db2.gz VBGIKEZKSKYSEF-UONOGXRCSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000453203523 388009802 /nfs/dbraw/zinc/00/98/02/388009802.db2.gz VBGIKEZKSKYSEF-UONOGXRCSA-N 2 1 240.391 1.611 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423240371 388024314 /nfs/dbraw/zinc/02/43/14/388024314.db2.gz SZOUNXXFVDAKAB-STQMWFEESA-N 2 1 226.364 1.533 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCO2)C1 ZINC000246115995 388011457 /nfs/dbraw/zinc/01/14/57/388011457.db2.gz CMBPLRFARNKODR-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000246115995 388011461 /nfs/dbraw/zinc/01/14/61/388011461.db2.gz CMBPLRFARNKODR-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000246115995 388011465 /nfs/dbraw/zinc/01/14/65/388011465.db2.gz CMBPLRFARNKODR-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH2+]C)C1(CC)CC ZINC000423228190 388013612 /nfs/dbraw/zinc/01/36/12/388013612.db2.gz YQCOVGAGGXCFLT-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP C([C@H]1CCCO1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155963 388015390 /nfs/dbraw/zinc/01/53/90/388015390.db2.gz GUHUDIHUGSTLQL-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cn1 ZINC000423229113 388015537 /nfs/dbraw/zinc/01/55/37/388015537.db2.gz AIKJPQUFMVVXMF-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423233613 388018193 /nfs/dbraw/zinc/01/81/93/388018193.db2.gz DVEWCZDDYQWVNT-XBFCOCLRSA-N 2 1 233.359 1.226 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423237459 388020103 /nfs/dbraw/zinc/02/01/03/388020103.db2.gz DISLCCWALXOPJP-TUAOUCFPSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423236885 388020689 /nfs/dbraw/zinc/02/06/89/388020689.db2.gz OZHKXDFSRRAIDV-PWSUYJOCSA-N 2 1 208.305 1.552 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423238884 388021997 /nfs/dbraw/zinc/02/19/97/388021997.db2.gz FPDOLSIMCXGCCR-XBFCOCLRSA-N 2 1 218.344 1.988 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)C1CCOCC1 ZINC000423261756 388041140 /nfs/dbraw/zinc/04/11/40/388041140.db2.gz KQUJXFUDLZHGMB-DGCLKSJQSA-N 2 1 228.380 1.765 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000423265357 388043862 /nfs/dbraw/zinc/04/38/62/388043862.db2.gz QVGYGPYEOYFBRB-XQQFMLRXSA-N 2 1 227.396 1.290 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000453278967 388031880 /nfs/dbraw/zinc/03/18/80/388031880.db2.gz DMPKCBRDQSIQEM-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000423274345 388054558 /nfs/dbraw/zinc/05/45/58/388054558.db2.gz MAEBTOWYFZZQMD-VHSXEESVSA-N 2 1 225.311 1.727 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423277768 388058055 /nfs/dbraw/zinc/05/80/55/388058055.db2.gz OPQDISZMBOAQHR-RFQIPJPRSA-N 2 1 239.407 1.434 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423277768 388058057 /nfs/dbraw/zinc/05/80/57/388058057.db2.gz OPQDISZMBOAQHR-RFQIPJPRSA-N 2 1 239.407 1.434 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423278578 388060391 /nfs/dbraw/zinc/06/03/91/388060391.db2.gz QWQIYTSIQSUZRF-RTXFEEFZSA-N 2 1 225.380 1.042 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423278578 388060392 /nfs/dbraw/zinc/06/03/92/388060392.db2.gz QWQIYTSIQSUZRF-RTXFEEFZSA-N 2 1 225.380 1.042 20 0 BDADMP C[C@@](C[NH3+])([NH2+]Cc1ccccc1)C1CC1 ZINC000083764326 388060973 /nfs/dbraw/zinc/06/09/73/388060973.db2.gz WIUAZMHHYPNXOW-ZDUSSCGKSA-N 2 1 204.317 1.904 20 0 BDADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)OCO2 ZINC000423284541 388066909 /nfs/dbraw/zinc/06/69/09/388066909.db2.gz WVKYWOTYRNNIAS-BXKDBHETSA-N 2 1 248.326 1.803 20 0 BDADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C[NH3+])C1CC1 ZINC000423284214 388067527 /nfs/dbraw/zinc/06/75/27/388067527.db2.gz WRIHLDGRDRBAHG-CYZMBNFOSA-N 2 1 226.364 1.519 20 0 BDADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423284216 388067735 /nfs/dbraw/zinc/06/77/35/388067735.db2.gz WRIHLDGRDRBAHG-UHTWSYAYSA-N 2 1 226.364 1.519 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084220375 388075494 /nfs/dbraw/zinc/07/54/94/388075494.db2.gz HCIYRYRJQMSJJL-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084220375 388075498 /nfs/dbraw/zinc/07/54/98/388075498.db2.gz HCIYRYRJQMSJJL-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])CCS1 ZINC000261527571 135152367 /nfs/dbraw/zinc/15/23/67/135152367.db2.gz CWXRPSOBHLJUHY-VIFPVBQESA-N 2 1 202.367 1.551 20 0 BDADMP Cc1ncc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453598477 388090270 /nfs/dbraw/zinc/09/02/70/388090270.db2.gz PJCAGLCZGIAMCB-UHFFFAOYSA-N 2 1 248.374 1.749 20 0 BDADMP Cc1cc(N(C)CC(C)(C)C[NH3+])nc(C)[nH+]1 ZINC000086638588 388105159 /nfs/dbraw/zinc/10/51/59/388105159.db2.gz BRISFMWWLCMLPA-UHFFFAOYSA-N 2 1 222.336 1.515 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cncs1 ZINC000423267920 388047268 /nfs/dbraw/zinc/04/72/68/388047268.db2.gz FNZQUOUZDQDAIX-IUCAKERBSA-N 2 1 213.350 1.649 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000449078310 388140064 /nfs/dbraw/zinc/14/00/64/388140064.db2.gz LVYSGETTXODVEH-NWDGAFQWSA-N 2 1 246.420 1.296 20 0 BDADMP CCSCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261527978 135152851 /nfs/dbraw/zinc/15/28/51/135152851.db2.gz IJDMYIABWSOESS-LLVKDONJSA-N 2 1 214.378 1.425 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CSC)CC1 ZINC000488577818 388188806 /nfs/dbraw/zinc/18/88/06/388188806.db2.gz QAFULTUNNMSOPN-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CSC)CC1 ZINC000488577818 388188809 /nfs/dbraw/zinc/18/88/09/388188809.db2.gz QAFULTUNNMSOPN-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)CO)[C@H](C)C1 ZINC000449410197 388198072 /nfs/dbraw/zinc/19/80/72/388198072.db2.gz YLNYOQIYDTZJDD-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](C)CC1 ZINC000313140718 256541146 /nfs/dbraw/zinc/54/11/46/256541146.db2.gz HOTXGVOPOFMMOI-RYUDHWBXSA-N 2 1 214.353 1.220 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)[C@@H](C)C1 ZINC000449430540 388203943 /nfs/dbraw/zinc/20/39/43/388203943.db2.gz XTZRRXDPPUKQCH-CRWXNKLISA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)[N@H+]1CCCN(C(=O)CCCC[NH3+])CC1 ZINC000518192539 256561683 /nfs/dbraw/zinc/56/16/83/256561683.db2.gz OFCYHSIQCYBDQR-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261530043 135156290 /nfs/dbraw/zinc/15/62/90/135156290.db2.gz XKHRNJLSPWVVKG-MNOVXSKESA-N 2 1 214.378 1.410 20 0 BDADMP CCS[C@H]1CC[C@@H]([N@H+](C)CCN)C1 ZINC000261529169 135154884 /nfs/dbraw/zinc/15/48/84/135154884.db2.gz PSHNKWQFAPHVEU-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CCN)C1 ZINC000261529169 135154886 /nfs/dbraw/zinc/15/48/86/135154886.db2.gz PSHNKWQFAPHVEU-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@H]1CC[C@@H]([N@H+](C)CC[NH3+])C1 ZINC000261529169 135154887 /nfs/dbraw/zinc/15/48/87/135154887.db2.gz PSHNKWQFAPHVEU-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CC[NH3+])C1 ZINC000261529169 135154889 /nfs/dbraw/zinc/15/48/89/135154889.db2.gz PSHNKWQFAPHVEU-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP C[C@@H]([N@@H+](C)CCC[NH+]1CCCCC1)C(C)(C)O ZINC000451366034 388266290 /nfs/dbraw/zinc/26/62/90/388266290.db2.gz GJXWZOLVOYPKQU-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000163541499 388364076 /nfs/dbraw/zinc/36/40/76/388364076.db2.gz XBBCLTDJDKWVKL-NWDGAFQWSA-N 2 1 214.353 1.330 20 0 BDADMP FC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000572763128 388374753 /nfs/dbraw/zinc/37/47/53/388374753.db2.gz QHTAYDUHPSXONW-PHIMTYICSA-N 2 1 212.312 1.420 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000516605644 388385902 /nfs/dbraw/zinc/38/59/02/388385902.db2.gz OCQQGRMSXLJXLU-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000516605644 388385905 /nfs/dbraw/zinc/38/59/05/388385905.db2.gz OCQQGRMSXLJXLU-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000516605644 388385908 /nfs/dbraw/zinc/38/59/08/388385908.db2.gz OCQQGRMSXLJXLU-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631668439 388402520 /nfs/dbraw/zinc/40/25/20/388402520.db2.gz XTBNSAFVMPVUNF-XQQFMLRXSA-N 2 1 228.380 1.610 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631668439 388402523 /nfs/dbraw/zinc/40/25/23/388402523.db2.gz XTBNSAFVMPVUNF-XQQFMLRXSA-N 2 1 228.380 1.610 20 0 BDADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000315825890 388402820 /nfs/dbraw/zinc/40/28/20/388402820.db2.gz ZKZYZLBHTXXBIZ-MGPQQGTHSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1C[C@H](N(C)CC2(F)CC2)CC[N@H+]1C ZINC000525978354 388442048 /nfs/dbraw/zinc/44/20/48/388442048.db2.gz PRLQZNWFEQGXPQ-GHMZBOCLSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC2(F)CC2)CCN1C ZINC000525978354 388442049 /nfs/dbraw/zinc/44/20/49/388442049.db2.gz PRLQZNWFEQGXPQ-GHMZBOCLSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC2(F)CC2)CCN1C ZINC000525978354 388442050 /nfs/dbraw/zinc/44/20/50/388442050.db2.gz PRLQZNWFEQGXPQ-GHMZBOCLSA-N 2 1 214.328 1.903 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CCOCC1 ZINC000308615419 388445363 /nfs/dbraw/zinc/44/53/63/388445363.db2.gz SIPFDYOCBZZANW-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000193806519 388450814 /nfs/dbraw/zinc/45/08/14/388450814.db2.gz CCTLLLDXAMDXLJ-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000397264854 388455536 /nfs/dbraw/zinc/45/55/36/388455536.db2.gz ISELQNXNDRMBPI-VNHYZAJKSA-N 2 1 247.386 1.929 20 0 BDADMP COCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397350024 388460979 /nfs/dbraw/zinc/46/09/79/388460979.db2.gz ZQSUFYQGTVFYBI-TUAOUCFPSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000397486137 388474067 /nfs/dbraw/zinc/47/40/67/388474067.db2.gz UZXYSUQWDZDFKS-DYEKYZERSA-N 2 1 240.391 1.718 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000573075975 388417938 /nfs/dbraw/zinc/41/79/38/388417938.db2.gz SYJMLXRLEKPOTF-JSGCOSHPSA-N 3 1 239.407 1.483 20 0 BDADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000322304627 388431092 /nfs/dbraw/zinc/43/10/92/388431092.db2.gz AFNADMDTOBMMOV-GSPSYOTPSA-N 2 1 238.375 1.626 20 0 BDADMP C/C(Cl)=C\C[N@H+]1CCc2nc[nH]c2C1 ZINC000528507205 388537342 /nfs/dbraw/zinc/53/73/42/388537342.db2.gz WKEZQMPIPMPAQV-KRXBUXKQSA-N 2 1 211.696 1.910 20 0 BDADMP C/C(Cl)=C\CN1CCc2nc[nH]c2C1 ZINC000528507205 388537345 /nfs/dbraw/zinc/53/73/45/388537345.db2.gz WKEZQMPIPMPAQV-KRXBUXKQSA-N 2 1 211.696 1.910 20 0 BDADMP Cc1sccc1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000339349481 388482502 /nfs/dbraw/zinc/48/25/02/388482502.db2.gz PVXFAGAJGJKKDW-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1sccc1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000339349481 388482504 /nfs/dbraw/zinc/48/25/04/388482504.db2.gz PVXFAGAJGJKKDW-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1sccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000339349481 388482509 /nfs/dbraw/zinc/48/25/09/388482509.db2.gz PVXFAGAJGJKKDW-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1sccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000339349481 388482513 /nfs/dbraw/zinc/48/25/13/388482513.db2.gz PVXFAGAJGJKKDW-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000340489088 388490692 /nfs/dbraw/zinc/49/06/92/388490692.db2.gz QSWZKFMVCFSLNF-CDGCEXEKSA-N 2 1 240.391 1.730 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCO)[C@H](C)C1 ZINC000178163227 388496113 /nfs/dbraw/zinc/49/61/13/388496113.db2.gz PHDOKFSHFSXMJX-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP c1cnn(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000135463297 388497965 /nfs/dbraw/zinc/49/79/65/388497965.db2.gz QGOBGIVUSXNGAD-UONOGXRCSA-N 2 1 248.374 1.490 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000397800447 388500162 /nfs/dbraw/zinc/50/01/62/388500162.db2.gz WCJJSXUQVIGSTF-XDQVBPFNSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN1C1CC1 ZINC000344308493 388505890 /nfs/dbraw/zinc/50/58/90/388505890.db2.gz YTPAZAWHDNYXON-GXTWGEPZSA-N 2 1 249.402 1.463 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000356670338 388549481 /nfs/dbraw/zinc/54/94/81/388549481.db2.gz FVJKSZYKLOVAGQ-SYQHCUMBSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000516861236 388520606 /nfs/dbraw/zinc/52/06/06/388520606.db2.gz CPCDAJXHDSDBES-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000516861238 388520768 /nfs/dbraw/zinc/52/07/68/388520768.db2.gz CPCDAJXHDSDBES-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+][C@H](C)[C@@H]2C)c1 ZINC000346692066 388521065 /nfs/dbraw/zinc/52/10/65/388521065.db2.gz XOWKRBIQZZHNJA-NEPJUHHUSA-N 2 1 249.358 1.581 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(N)=O ZINC000516921893 388524206 /nfs/dbraw/zinc/52/42/06/388524206.db2.gz UWUJILIJVSOTAE-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CC1(C)CC(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000528478844 388532955 /nfs/dbraw/zinc/53/29/55/388532955.db2.gz VURMOTHMEGRPCR-UHFFFAOYSA-N 2 1 248.374 1.968 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1C ZINC000517042049 388535772 /nfs/dbraw/zinc/53/57/72/388535772.db2.gz KFBYOSRDNWFANQ-GFCCVEGCSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n1C ZINC000517042049 388535774 /nfs/dbraw/zinc/53/57/74/388535774.db2.gz KFBYOSRDNWFANQ-GFCCVEGCSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1C ZINC000517042050 388536313 /nfs/dbraw/zinc/53/63/13/388536313.db2.gz KFBYOSRDNWFANQ-LBPRGKRZSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n1C ZINC000517042050 388536320 /nfs/dbraw/zinc/53/63/20/388536320.db2.gz KFBYOSRDNWFANQ-LBPRGKRZSA-N 2 1 248.374 1.302 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000352558860 388536887 /nfs/dbraw/zinc/53/68/87/388536887.db2.gz ZWVAIWNRMSQHGB-HZSPNIEDSA-N 2 1 240.391 1.754 20 0 BDADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC000646837665 388598123 /nfs/dbraw/zinc/59/81/23/388598123.db2.gz VXDIOWQJQYZHGA-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1C[N@H+](CCn2ccnc2C2CC2)CCO1 ZINC000530128832 388613037 /nfs/dbraw/zinc/61/30/37/388613037.db2.gz DAKRGMNGOKHHII-NSHDSACASA-N 2 1 235.331 1.481 20 0 BDADMP C[C@H]1C[N@@H+](CCn2ccnc2C2CC2)CCO1 ZINC000530128832 388613038 /nfs/dbraw/zinc/61/30/38/388613038.db2.gz DAKRGMNGOKHHII-NSHDSACASA-N 2 1 235.331 1.481 20 0 BDADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359287280 388556147 /nfs/dbraw/zinc/55/61/47/388556147.db2.gz OAPNRKWKLKWDAX-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000359287280 388556149 /nfs/dbraw/zinc/55/61/49/388556149.db2.gz OAPNRKWKLKWDAX-KGLIPLIRSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359287280 388556151 /nfs/dbraw/zinc/55/61/51/388556151.db2.gz OAPNRKWKLKWDAX-KGLIPLIRSA-N 3 1 241.423 1.648 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000521226014 256837565 /nfs/dbraw/zinc/83/75/65/256837565.db2.gz ZKVDCKARTFLXRA-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)OC)C1 ZINC000248436949 388680124 /nfs/dbraw/zinc/68/01/24/388680124.db2.gz SHSOXAKXSQBCLE-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)CC[N@@H+]1C ZINC000248567954 388684024 /nfs/dbraw/zinc/68/40/24/388684024.db2.gz PQOXHGXWFQVMNG-FRRDWIJNSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)CC[N@H+]1C ZINC000248567954 388684027 /nfs/dbraw/zinc/68/40/27/388684027.db2.gz PQOXHGXWFQVMNG-FRRDWIJNSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530178813 388622165 /nfs/dbraw/zinc/62/21/65/388622165.db2.gz OBCCBQVVVNSLAT-BNOWGMLFSA-N 2 1 249.402 1.343 20 0 BDADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CC(C)(C)C1 ZINC000530210862 388627320 /nfs/dbraw/zinc/62/73/20/388627320.db2.gz MGWQSBLKBLJYGD-UHFFFAOYSA-N 2 1 239.407 1.260 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000530229336 388637007 /nfs/dbraw/zinc/63/70/07/388637007.db2.gz NIYGSRWBCLUWIO-KBPBESRZSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000530229336 388637010 /nfs/dbraw/zinc/63/70/10/388637010.db2.gz NIYGSRWBCLUWIO-KBPBESRZSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000246806303 388652235 /nfs/dbraw/zinc/65/22/35/388652235.db2.gz AJSCCWPJWGCKSV-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000246806303 388652239 /nfs/dbraw/zinc/65/22/39/388652239.db2.gz AJSCCWPJWGCKSV-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000246806303 388652241 /nfs/dbraw/zinc/65/22/41/388652241.db2.gz AJSCCWPJWGCKSV-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)CC[N@@H+]1C ZINC000246806303 388652244 /nfs/dbraw/zinc/65/22/44/388652244.db2.gz AJSCCWPJWGCKSV-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000246831582 388652547 /nfs/dbraw/zinc/65/25/47/388652547.db2.gz BREAZFHGKSCXPY-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)COC)C1 ZINC000247143995 388659591 /nfs/dbraw/zinc/65/95/91/388659591.db2.gz SNOQTMKNSNAEAM-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC000247252457 388660774 /nfs/dbraw/zinc/66/07/74/388660774.db2.gz ZBFONQGKCCCOEW-AAEUAGOBSA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC000247252457 388660775 /nfs/dbraw/zinc/66/07/75/388660775.db2.gz ZBFONQGKCCCOEW-AAEUAGOBSA-N 2 1 236.363 1.240 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000220705876 388663293 /nfs/dbraw/zinc/66/32/93/388663293.db2.gz GOLXBINVIQAYIH-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250661914 388738752 /nfs/dbraw/zinc/73/87/52/388738752.db2.gz YXXSRGBUYPEMEL-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552357682 388696857 /nfs/dbraw/zinc/69/68/57/388696857.db2.gz MKVLRXMCBJDUAE-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552357682 388696858 /nfs/dbraw/zinc/69/68/58/388696858.db2.gz MKVLRXMCBJDUAE-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552357682 388696860 /nfs/dbraw/zinc/69/68/60/388696860.db2.gz MKVLRXMCBJDUAE-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000249289078 388715368 /nfs/dbraw/zinc/71/53/68/388715368.db2.gz MCBKVEJMAGFNAQ-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000252711519 388773324 /nfs/dbraw/zinc/77/33/24/388773324.db2.gz JUAYGJVZGAVIPP-BXUZGUMPSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000252711519 388773327 /nfs/dbraw/zinc/77/33/27/388773327.db2.gz JUAYGJVZGAVIPP-BXUZGUMPSA-N 2 1 233.359 1.820 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@@H+]1C ZINC000252733467 388777930 /nfs/dbraw/zinc/77/79/30/388777930.db2.gz ZNAWAEVKCQSJIF-CYDGBPFRSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1C ZINC000252733467 388777936 /nfs/dbraw/zinc/77/79/36/388777936.db2.gz ZNAWAEVKCQSJIF-CYDGBPFRSA-N 2 1 226.364 1.362 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988194 388778187 /nfs/dbraw/zinc/77/81/87/388778187.db2.gz IUDIVEWDQBUNEU-NEPJUHHUSA-N 2 1 214.353 1.330 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000228698036 388817761 /nfs/dbraw/zinc/81/77/61/388817761.db2.gz JJFPLVYKCOTALF-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H]1C[C@@H](NCC[NH+]2CCCC2)CC[N@H+]1C ZINC000129732244 388868269 /nfs/dbraw/zinc/86/82/69/388868269.db2.gz NWNMNMZTWHLIBD-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@]1(C)CO ZINC000565645188 388959712 /nfs/dbraw/zinc/95/97/12/388959712.db2.gz FGGYGFZPSDFYTD-RYUDHWBXSA-N 2 1 214.353 1.207 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000565544140 388952644 /nfs/dbraw/zinc/95/26/44/388952644.db2.gz QVPVSISZOUKZPM-IGQOVBAYSA-N 2 1 238.375 1.221 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000565544140 388952646 /nfs/dbraw/zinc/95/26/46/388952646.db2.gz QVPVSISZOUKZPM-IGQOVBAYSA-N 2 1 238.375 1.221 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000565843942 388974144 /nfs/dbraw/zinc/97/41/44/388974144.db2.gz TZPIVYCAELFNLP-UWVGGRQHSA-N 2 1 223.320 1.597 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000566088418 388986596 /nfs/dbraw/zinc/98/65/96/388986596.db2.gz NALTZXQVVBVBNA-RYUDHWBXSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000575497919 388989594 /nfs/dbraw/zinc/98/95/94/388989594.db2.gz OOMAUUDILLTUPM-BBBLOLIVSA-N 2 1 200.351 1.161 20 0 BDADMP C[NH+]1CCC([NH2+]CCCc2nccs2)CC1 ZINC000267184105 388999626 /nfs/dbraw/zinc/99/96/26/388999626.db2.gz CDXQUPWMTJRESR-UHFFFAOYSA-N 2 1 239.388 1.760 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnccn1 ZINC000271817117 389025682 /nfs/dbraw/zinc/02/56/82/389025682.db2.gz BPYIXRICWSLPAJ-LLVKDONJSA-N 2 1 232.331 1.389 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccnc1 ZINC000271890244 389026522 /nfs/dbraw/zinc/02/65/22/389026522.db2.gz RSUVGQHFFMNAGA-GFCCVEGCSA-N 2 1 231.343 1.994 20 0 BDADMP C[C@@H]([NH2+]CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491237 389033742 /nfs/dbraw/zinc/03/37/42/389033742.db2.gz NBQBNOSYYBXPDO-HIFRSBDPSA-N 2 1 248.370 1.479 20 0 BDADMP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400726920 533363111 /nfs/dbraw/zinc/36/31/11/533363111.db2.gz PRJIDNIWXIZFTI-NEPJUHHUSA-N 2 1 226.364 1.412 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1CCCCO1 ZINC000257667419 533364386 /nfs/dbraw/zinc/36/43/86/533364386.db2.gz HPVYMUNJSOCJIJ-KBPBESRZSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1CCCCO1 ZINC000257667419 533364391 /nfs/dbraw/zinc/36/43/91/533364391.db2.gz HPVYMUNJSOCJIJ-KBPBESRZSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000261596879 533365107 /nfs/dbraw/zinc/36/51/07/533365107.db2.gz ZAWUGJVUASMIOZ-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000261580708 533365597 /nfs/dbraw/zinc/36/55/97/533365597.db2.gz NCOPPTUZYVTCDG-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261537686 533376612 /nfs/dbraw/zinc/37/66/12/533376612.db2.gz WDOVRKWXQRPASI-GRYCIOLGSA-N 2 1 226.389 1.281 20 0 BDADMP C[NH2+]C[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000040602350 132223961 /nfs/dbraw/zinc/22/39/61/132223961.db2.gz PNEGEDHNCMVFQD-LBPRGKRZSA-N 2 1 219.332 1.826 20 0 BDADMP CCc1cc(N2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000070458528 132230814 /nfs/dbraw/zinc/23/08/14/132230814.db2.gz KXFHOHAXGSSVLD-SNVBAGLBSA-N 2 1 220.320 1.275 20 0 BDADMP Cc1cc(N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc[nH+]1 ZINC000372336357 132286050 /nfs/dbraw/zinc/28/60/50/132286050.db2.gz GBCIYOREFSNJPQ-GXTWGEPZSA-N 2 1 231.343 1.920 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000347481803 133838769 /nfs/dbraw/zinc/83/87/69/133838769.db2.gz ACXGFGNFLYYICX-LBPRGKRZSA-N 2 1 234.347 1.123 20 0 BDADMP Cc1csc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000335542973 133883944 /nfs/dbraw/zinc/88/39/44/133883944.db2.gz JQLWBMKAYHREKU-MWLCHTKSSA-N 2 1 239.388 1.929 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167572746 134070580 /nfs/dbraw/zinc/07/05/80/134070580.db2.gz NIKRNRJHNCBCIJ-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000352186142 134099427 /nfs/dbraw/zinc/09/94/27/134099427.db2.gz JHTJCFOBFUVANV-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C([C@H]1CC[N@@H+]([C@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000336180201 134119489 /nfs/dbraw/zinc/11/94/89/134119489.db2.gz JBBZASGKXXCYOS-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C([C@H]1CC[N@H+]([C@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000336180201 134119490 /nfs/dbraw/zinc/11/94/90/134119490.db2.gz JBBZASGKXXCYOS-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169243156 134250034 /nfs/dbraw/zinc/25/00/34/134250034.db2.gz GSFNPGIBYFIKOP-TVYUQYBPSA-N 2 1 220.316 1.349 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000179255261 134319166 /nfs/dbraw/zinc/31/91/66/134319166.db2.gz BLTASFVXFXYGRK-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c[nH]1 ZINC000180123873 134323319 /nfs/dbraw/zinc/32/33/19/134323319.db2.gz QUSHLMQLMIWDOK-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn[nH]c1 ZINC000222460240 134331890 /nfs/dbraw/zinc/33/18/90/134331890.db2.gz JSPFEGMTNGCCNZ-WCFLWFBJSA-N 2 1 234.347 1.687 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cn[nH]c1 ZINC000222460240 134331891 /nfs/dbraw/zinc/33/18/91/134331891.db2.gz JSPFEGMTNGCCNZ-WCFLWFBJSA-N 2 1 234.347 1.687 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000222601034 134333536 /nfs/dbraw/zinc/33/35/36/134333536.db2.gz BPAMTDSLHIDZIM-JSGCOSHPSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000222601034 134333537 /nfs/dbraw/zinc/33/35/37/134333537.db2.gz BPAMTDSLHIDZIM-JSGCOSHPSA-N 2 1 233.359 1.820 20 0 BDADMP CC[N@@H+](CCNC1CC[NH+](C)CC1)C1CC1 ZINC000225130306 134351106 /nfs/dbraw/zinc/35/11/06/134351106.db2.gz HPFMCYKIFPIVRI-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1C ZINC000225213872 134351638 /nfs/dbraw/zinc/35/16/38/134351638.db2.gz QSBZWMVNZONPPW-LPWJVIDDSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000227368944 134378639 /nfs/dbraw/zinc/37/86/39/134378639.db2.gz HSPHTYATIMKAGK-YVECIDJPSA-N 2 1 228.380 1.323 20 0 BDADMP Cc1ccccc1OCC[N@@H+](C)CCC[NH3+] ZINC000227748449 134391984 /nfs/dbraw/zinc/39/19/84/134391984.db2.gz ZXMWNOHUDFRIHN-UHFFFAOYSA-N 2 1 222.332 1.654 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248419143 135008519 /nfs/dbraw/zinc/00/85/19/135008519.db2.gz KWIKCIIRNFSLRB-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248439412 135009694 /nfs/dbraw/zinc/00/96/94/135009694.db2.gz UCXHGHSCVIZLOD-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)O1 ZINC000248863058 135023298 /nfs/dbraw/zinc/02/32/98/135023298.db2.gz BMKDGMXEKBTNEG-AGIUHOORSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000249132930 135034239 /nfs/dbraw/zinc/03/42/39/135034239.db2.gz MEBWZHRODJBBNR-NAWOPXAZSA-N 2 1 240.391 1.464 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCOC)C1 ZINC000249806383 135045417 /nfs/dbraw/zinc/04/54/17/135045417.db2.gz FVRNVEJMAWKLLJ-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249848603 135045860 /nfs/dbraw/zinc/04/58/60/135045860.db2.gz IDMIUYIQHQEQPD-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000250087509 135049421 /nfs/dbraw/zinc/04/94/21/135049421.db2.gz VYFCIXVTBBAKCF-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250087509 135049422 /nfs/dbraw/zinc/04/94/22/135049422.db2.gz VYFCIXVTBBAKCF-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250087509 135049423 /nfs/dbraw/zinc/04/94/23/135049423.db2.gz VYFCIXVTBBAKCF-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251135234 135065573 /nfs/dbraw/zinc/06/55/73/135065573.db2.gz VFEZPABTLHQQFR-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)cc1 ZINC000086435467 135084574 /nfs/dbraw/zinc/08/45/74/135084574.db2.gz RLTUQXKFCGPFOA-UHFFFAOYSA-N 2 1 242.750 1.747 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252189384 135086766 /nfs/dbraw/zinc/08/67/66/135086766.db2.gz USZXTERXEIVMCD-JHJVBQTASA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252189384 135086767 /nfs/dbraw/zinc/08/67/67/135086767.db2.gz USZXTERXEIVMCD-JHJVBQTASA-N 2 1 236.363 1.344 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000252186830 135086777 /nfs/dbraw/zinc/08/67/77/135086777.db2.gz UKGFSANMQHMMEW-SYQHCUMBSA-N 2 1 238.375 1.770 20 0 BDADMP C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CS1 ZINC000252388588 135087446 /nfs/dbraw/zinc/08/74/46/135087446.db2.gz FUVZZTOLLKWTFS-SDDRHHMPSA-N 2 1 226.389 1.708 20 0 BDADMP C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CS1 ZINC000252388588 135087447 /nfs/dbraw/zinc/08/74/47/135087447.db2.gz FUVZZTOLLKWTFS-SDDRHHMPSA-N 2 1 226.389 1.708 20 0 BDADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+]C1CCOCC1 ZINC000252391477 135088199 /nfs/dbraw/zinc/08/81/99/135088199.db2.gz QROGKKHSCDFCSX-QWHCGFSZSA-N 2 1 224.348 1.382 20 0 BDADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+]C1CCOCC1 ZINC000252391477 135088200 /nfs/dbraw/zinc/08/82/00/135088200.db2.gz QROGKKHSCDFCSX-QWHCGFSZSA-N 2 1 224.348 1.382 20 0 BDADMP CC(C)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539036 135092224 /nfs/dbraw/zinc/09/22/24/135092224.db2.gz BCOWBZSNNIOVQM-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539036 135092226 /nfs/dbraw/zinc/09/22/26/135092226.db2.gz BCOWBZSNNIOVQM-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252625807 135093230 /nfs/dbraw/zinc/09/32/30/135093230.db2.gz RJLDQXLXWMZGSL-FVCCEPFGSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086725368 135094929 /nfs/dbraw/zinc/09/49/29/135094929.db2.gz HMIOOJWQXLGTRB-YPMHNXCESA-N 2 1 204.317 1.742 20 0 BDADMP Fc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086724486 135095447 /nfs/dbraw/zinc/09/54/47/135095447.db2.gz SBBULGTXGKTPMH-GFCCVEGCSA-N 2 1 208.280 1.320 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697884 135098659 /nfs/dbraw/zinc/09/86/59/135098659.db2.gz JYSOKKVUVOIJRY-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000086874844 135099660 /nfs/dbraw/zinc/09/96/60/135099660.db2.gz UKHCWLQWQZGAKH-WDEREUQCSA-N 2 1 214.353 1.077 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C(C)C)[C@@H](C)C1 ZINC000252710330 135099867 /nfs/dbraw/zinc/09/98/67/135099867.db2.gz GIOJVDYANHRWAO-AVGNSLFASA-N 2 1 228.380 1.323 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000252713130 135100484 /nfs/dbraw/zinc/10/04/84/135100484.db2.gz OKJUPXFJWPLMJC-AGIUHOORSA-N 2 1 227.396 1.256 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)C)[C@H](C)C1 ZINC000252713130 135100486 /nfs/dbraw/zinc/10/04/86/135100486.db2.gz OKJUPXFJWPLMJC-AGIUHOORSA-N 2 1 227.396 1.256 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)C)[C@H](C)C1 ZINC000252713130 135100488 /nfs/dbraw/zinc/10/04/88/135100488.db2.gz OKJUPXFJWPLMJC-AGIUHOORSA-N 2 1 227.396 1.256 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252714489 135101910 /nfs/dbraw/zinc/10/19/10/135101910.db2.gz SCGKVLOVEXIXBF-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252871724 135113905 /nfs/dbraw/zinc/11/39/05/135113905.db2.gz SZDAQJWGADSQOH-MELADBBJSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252955870 135117814 /nfs/dbraw/zinc/11/78/14/135117814.db2.gz JAGNKFIOFZFROO-NDBYEHHHSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252955870 135117816 /nfs/dbraw/zinc/11/78/16/135117816.db2.gz JAGNKFIOFZFROO-NDBYEHHHSA-N 2 1 208.349 1.859 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200555 135124751 /nfs/dbraw/zinc/12/47/51/135124751.db2.gz XCDVJGXIZSTOCN-SDDRHHMPSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cnn1C ZINC000257671190 135138579 /nfs/dbraw/zinc/13/85/79/135138579.db2.gz IKNJWHAVTOKIOR-CQSZACIVSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cnn1C ZINC000257671190 135138580 /nfs/dbraw/zinc/13/85/80/135138580.db2.gz IKNJWHAVTOKIOR-CQSZACIVSA-N 2 1 248.374 1.304 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257678106 135139014 /nfs/dbraw/zinc/13/90/14/135139014.db2.gz KGGNEZTWZNUZAY-CYBMUJFWSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257719341 135140519 /nfs/dbraw/zinc/14/05/19/135140519.db2.gz PICXSJUHUMHCNX-OCCSQVGLSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257719341 135140521 /nfs/dbraw/zinc/14/05/21/135140521.db2.gz PICXSJUHUMHCNX-OCCSQVGLSA-N 2 1 231.343 1.828 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257741630 135141027 /nfs/dbraw/zinc/14/10/27/135141027.db2.gz YZNVDTSEKMVKHY-OLZOCXBDSA-N 2 1 224.348 1.098 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2C)C1 ZINC000261545627 135149424 /nfs/dbraw/zinc/14/94/24/135149424.db2.gz GDKOCTOOSFVDBF-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2C)C1 ZINC000261545627 135149425 /nfs/dbraw/zinc/14/94/25/135149425.db2.gz GDKOCTOOSFVDBF-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527388 135150771 /nfs/dbraw/zinc/15/07/71/135150771.db2.gz ALGJTEJIFNXTPV-WDEREUQCSA-N 2 1 214.378 1.410 20 0 BDADMP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000261528818 135154065 /nfs/dbraw/zinc/15/40/65/135154065.db2.gz OGOZCPSXYONHOC-GARJFASQSA-N 2 1 214.378 1.612 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCSC3)C[C@H]21 ZINC000261533916 135165536 /nfs/dbraw/zinc/16/55/36/135165536.db2.gz LFABFNHBEBXYNW-UMSGYPCISA-N 2 1 240.416 1.799 20 0 BDADMP C[C@@H]1[C@@H](C)CCCN1Cc1noc(C[NH3+])n1 ZINC000261534296 135166444 /nfs/dbraw/zinc/16/64/44/135166444.db2.gz PNZYDJSAMYVURJ-DTWKUNHWSA-N 2 1 224.308 1.149 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@H]1CCCO1 ZINC000261534913 135168656 /nfs/dbraw/zinc/16/86/56/135168656.db2.gz NJURZUOJJVAPDD-NEPJUHHUSA-N 2 1 214.353 1.519 20 0 BDADMP CCOC[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000261536005 135170450 /nfs/dbraw/zinc/17/04/50/135170450.db2.gz QAOFVZGCRHBMRG-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261536005 135170451 /nfs/dbraw/zinc/17/04/51/135170451.db2.gz QAOFVZGCRHBMRG-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000261536522 135171955 /nfs/dbraw/zinc/17/19/55/135171955.db2.gz RZYLMXCQKOOSGY-LBPRGKRZSA-N 2 1 222.357 1.934 20 0 BDADMP c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000261536522 135171956 /nfs/dbraw/zinc/17/19/56/135171956.db2.gz RZYLMXCQKOOSGY-LBPRGKRZSA-N 2 1 222.357 1.934 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000261537408 135174013 /nfs/dbraw/zinc/17/40/13/135174013.db2.gz VMNIITUBYNURSD-NWDGAFQWSA-N 2 1 212.337 1.084 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261538076 135175439 /nfs/dbraw/zinc/17/54/39/135175439.db2.gz XJKWQILQZPZPGK-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261538867 135177467 /nfs/dbraw/zinc/17/74/67/135177467.db2.gz ZRDKKUBESPCNSL-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261539268 135177703 /nfs/dbraw/zinc/17/77/03/135177703.db2.gz BZNSXUIEKIOBLO-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc1 ZINC000261544299 135185131 /nfs/dbraw/zinc/18/51/31/135185131.db2.gz DQJQKBUVSNTOIJ-UBHSHLNASA-N 2 1 231.343 1.559 20 0 BDADMP C[C@H]1C[C@@H](NCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000261548896 135187754 /nfs/dbraw/zinc/18/77/54/135187754.db2.gz OAOPSRSJSOXDDF-GXTWGEPZSA-N 2 1 233.359 1.198 20 0 BDADMP Cc1cnn(CC[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000261552898 135192323 /nfs/dbraw/zinc/19/23/23/135192323.db2.gz NLKJCPWDJGAKDO-CYBMUJFWSA-N 2 1 236.363 1.395 20 0 BDADMP C[C@H]1CSCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261553206 135192724 /nfs/dbraw/zinc/19/27/24/135192724.db2.gz SIUKBTOPRKZUDD-NEPJUHHUSA-N 2 1 228.405 1.671 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cscn1 ZINC000084216874 135193111 /nfs/dbraw/zinc/19/31/11/135193111.db2.gz KXKOEAUBMISZOY-MWLCHTKSSA-N 2 1 225.361 1.750 20 0 BDADMP CCc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(C)[nH+]1 ZINC000261554631 135194182 /nfs/dbraw/zinc/19/41/82/135194182.db2.gz AZSSRCXOSAGKHE-VXGBXAGGSA-N 2 1 246.358 1.393 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261556483 135197072 /nfs/dbraw/zinc/19/70/72/135197072.db2.gz QUKWIFZDKRRAPZ-DRZSPHRISA-N 2 1 234.347 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261556483 135197074 /nfs/dbraw/zinc/19/70/74/135197074.db2.gz QUKWIFZDKRRAPZ-DRZSPHRISA-N 2 1 234.347 1.072 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000261558206 135198762 /nfs/dbraw/zinc/19/87/62/135198762.db2.gz CZMBIXKLBILUPF-NWANDNLSSA-N 2 1 246.354 1.735 20 0 BDADMP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc(C)[nH+]1 ZINC000261558831 135199818 /nfs/dbraw/zinc/19/98/18/135199818.db2.gz SSIIQLGGFMNSJH-RYUDHWBXSA-N 2 1 232.331 1.282 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261559873 135200052 /nfs/dbraw/zinc/20/00/52/135200052.db2.gz UEHGYCVQIJJOCZ-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261563417 135205352 /nfs/dbraw/zinc/20/53/52/135205352.db2.gz XCBNLMHDXKKJKK-ZDUSSCGKSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261563417 135205353 /nfs/dbraw/zinc/20/53/53/135205353.db2.gz XCBNLMHDXKKJKK-ZDUSSCGKSA-N 2 1 236.363 1.635 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564411 135205912 /nfs/dbraw/zinc/20/59/12/135205912.db2.gz CMVCVCWRLGHVSC-WCQYABFASA-N 2 1 219.332 1.813 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000261570678 135212442 /nfs/dbraw/zinc/21/24/42/135212442.db2.gz HBHLUTOPLQUOLQ-NWDGAFQWSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000261570678 135212444 /nfs/dbraw/zinc/21/24/44/135212444.db2.gz HBHLUTOPLQUOLQ-NWDGAFQWSA-N 2 1 228.380 1.610 20 0 BDADMP Cc1ncsc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261571314 135212819 /nfs/dbraw/zinc/21/28/19/135212819.db2.gz HKSHJJNZBBGMAH-AXFHLTTASA-N 2 1 237.372 1.621 20 0 BDADMP CCC[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000261571780 135214302 /nfs/dbraw/zinc/21/43/02/135214302.db2.gz HVLUVKXGYDRQIT-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP CCc1nc(N2CCC[C@H]([C@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000261572920 135215087 /nfs/dbraw/zinc/21/50/87/135215087.db2.gz MBLWUGFZSWRXKJ-RYUDHWBXSA-N 2 1 248.374 1.911 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261575506 135216399 /nfs/dbraw/zinc/21/63/99/135216399.db2.gz NDHBRKUISACHDZ-IHRRRGAJSA-N 2 1 248.374 1.633 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261576782 135218644 /nfs/dbraw/zinc/21/86/44/135218644.db2.gz NZTQZTWGAOCNLZ-RYUDHWBXSA-N 2 1 247.342 1.137 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261576782 135218646 /nfs/dbraw/zinc/21/86/46/135218646.db2.gz NZTQZTWGAOCNLZ-RYUDHWBXSA-N 2 1 247.342 1.137 20 0 BDADMP Cn1cc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cn1 ZINC000261584910 135226237 /nfs/dbraw/zinc/22/62/37/135226237.db2.gz SQDZECGIXWECNK-TZMCWYRMSA-N 2 1 248.374 1.557 20 0 BDADMP CCCO[C@H]1CCC[N@H+](C[C@H](C)[NH3+])CC1 ZINC000261594271 135234610 /nfs/dbraw/zinc/23/46/10/135234610.db2.gz XKQFBDBXQAMNDX-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP CCCO[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])CC1 ZINC000261594271 135234611 /nfs/dbraw/zinc/23/46/11/135234611.db2.gz XKQFBDBXQAMNDX-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1 ZINC000261596100 135235668 /nfs/dbraw/zinc/23/56/68/135235668.db2.gz YMVMNTTVBXOMLB-LBPRGKRZSA-N 2 1 219.332 1.559 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261595780 135236167 /nfs/dbraw/zinc/23/61/67/135236167.db2.gz YLVXPRZFJUJMTH-NWDGAFQWSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@@H]1CCOC1 ZINC000261598023 135236570 /nfs/dbraw/zinc/23/65/70/135236570.db2.gz ZIQAQOVCWOCWCQ-IJLUTSLNSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261546969 135239536 /nfs/dbraw/zinc/23/95/36/135239536.db2.gz HORXWZHPOYBBGG-MBNYWOFBSA-N 2 1 231.343 1.826 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261546969 135239537 /nfs/dbraw/zinc/23/95/37/135239537.db2.gz HORXWZHPOYBBGG-MBNYWOFBSA-N 2 1 231.343 1.826 20 0 BDADMP COc1ccsc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261617091 135244175 /nfs/dbraw/zinc/24/41/75/135244175.db2.gz BVODFVLARQCMCA-GFCCVEGCSA-N 2 1 240.372 1.927 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261617091 135244177 /nfs/dbraw/zinc/24/41/77/135244177.db2.gz BVODFVLARQCMCA-GFCCVEGCSA-N 2 1 240.372 1.927 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](C)[NH3+] ZINC000261687880 135245798 /nfs/dbraw/zinc/24/57/98/135245798.db2.gz BVQRRPNTOGTXAX-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261760942 135250268 /nfs/dbraw/zinc/25/02/68/135250268.db2.gz XQVYBXAUPFXOLB-YIONKMFJSA-N 2 1 245.370 1.984 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261759396 135250839 /nfs/dbraw/zinc/25/08/39/135250839.db2.gz QZTZGVZXSDETHP-CYBMUJFWSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@]1(CN)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000261759396 135250840 /nfs/dbraw/zinc/25/08/40/135250840.db2.gz QZTZGVZXSDETHP-CYBMUJFWSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@]1(CN)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261759396 135250842 /nfs/dbraw/zinc/25/08/42/135250842.db2.gz QZTZGVZXSDETHP-CYBMUJFWSA-N 2 1 225.380 1.047 20 0 BDADMP Cc1cc([C@@H]2CCCN(CC(C)(C)[NH3+])C2)[nH]n1 ZINC000261818401 135255169 /nfs/dbraw/zinc/25/51/69/135255169.db2.gz QJPHOZQEERLECC-LLVKDONJSA-N 2 1 236.363 1.635 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261821831 135255258 /nfs/dbraw/zinc/25/52/58/135255258.db2.gz XZSRQJUCXCZVFC-HNNXBMFYSA-N 2 1 245.370 1.825 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000261812110 135255664 /nfs/dbraw/zinc/25/56/64/135255664.db2.gz LXDYQWYLXCOVMM-UTUOFQBUSA-N 2 1 241.379 1.103 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261825204 135256252 /nfs/dbraw/zinc/25/62/52/135256252.db2.gz IPVDXDZERZZACS-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882892 135259853 /nfs/dbraw/zinc/25/98/53/135259853.db2.gz RINBNJCQOCZPQN-QWHCGFSZSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261933387 135264677 /nfs/dbraw/zinc/26/46/77/135264677.db2.gz LUTBEAOXIUMUMC-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261953287 135265981 /nfs/dbraw/zinc/26/59/81/135265981.db2.gz OOVAVDFSBIMMLN-MJBXVCDLSA-N 2 1 238.375 1.676 20 0 BDADMP CCN1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000262013582 135272801 /nfs/dbraw/zinc/27/28/01/135272801.db2.gz VHMLGCFIEVJKKG-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP c1snnc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262016458 135272965 /nfs/dbraw/zinc/27/29/65/135272965.db2.gz MTDZQZJOESPBFD-UHFFFAOYSA-N 2 1 238.360 1.114 20 0 BDADMP c1snnc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262016458 135272966 /nfs/dbraw/zinc/27/29/66/135272966.db2.gz MTDZQZJOESPBFD-UHFFFAOYSA-N 2 1 238.360 1.114 20 0 BDADMP CCN1C[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC000262013586 135273342 /nfs/dbraw/zinc/27/33/42/135273342.db2.gz VHMLGCFIEVJKKG-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044561 135275666 /nfs/dbraw/zinc/27/56/66/135275666.db2.gz PNRVUJZZESORPO-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000262048857 135275691 /nfs/dbraw/zinc/27/56/91/135275691.db2.gz ZJUJMLVBIQROOB-CYBMUJFWSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C2CC2)O1 ZINC000262054010 135277246 /nfs/dbraw/zinc/27/72/46/135277246.db2.gz ZXAQCQYWNLQBNU-FZMZJTMJSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262100133 135278773 /nfs/dbraw/zinc/27/87/73/135278773.db2.gz VMROVTRTOHFYGP-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262128321 135280395 /nfs/dbraw/zinc/28/03/95/135280395.db2.gz CVKJPJVLLIYWIN-LBPRGKRZSA-N 3 1 225.380 1.047 20 0 BDADMP CCc1nc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000262310733 135292302 /nfs/dbraw/zinc/29/23/02/135292302.db2.gz YYJUPTAGJJJBEU-GXSJLCMTSA-N 2 1 239.388 1.923 20 0 BDADMP CN(Cc1ccno1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000334171832 135330216 /nfs/dbraw/zinc/33/02/16/135330216.db2.gz BBQDYCYNAAPVGA-FOSCPWQOSA-N 2 1 235.331 1.732 20 0 BDADMP CCc1nc(N[C@@H]2CCC[C@H]2[NH+](C)C)cc(C)[nH+]1 ZINC000342992635 135342977 /nfs/dbraw/zinc/34/29/77/135342977.db2.gz JIPOZCIATSOHNK-VXGBXAGGSA-N 2 1 248.374 1.664 20 0 BDADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1CCC2 ZINC000078838097 135395809 /nfs/dbraw/zinc/39/58/09/135395809.db2.gz QZQJWKFBYUWLTD-IYBDPMFKSA-N 2 1 242.366 1.827 20 0 BDADMP Cc1cc[nH+]c(N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000085283586 135481786 /nfs/dbraw/zinc/48/17/86/135481786.db2.gz LNJVFEWYRRSAJA-PHIMTYICSA-N 2 1 203.289 1.046 20 0 BDADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086728875 135495662 /nfs/dbraw/zinc/49/56/62/135495662.db2.gz NYKVOABNAGFOTB-ZDUSSCGKSA-N 2 1 218.344 1.916 20 0 BDADMP Cc1c[nH+]ccc1N(C)C[C@H]1CCC[N@H+]1C ZINC000334969210 135853780 /nfs/dbraw/zinc/85/37/80/135853780.db2.gz QAAWOYHZDQAEOZ-GFCCVEGCSA-N 2 1 219.332 1.920 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000347748702 136010826 /nfs/dbraw/zinc/01/08/26/136010826.db2.gz MGQKTONUCYTELO-CQSZACIVSA-N 2 1 248.374 1.370 20 0 BDADMP Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000335305436 136022469 /nfs/dbraw/zinc/02/24/69/136022469.db2.gz UYEUDPWJHNWNLI-TZMCWYRMSA-N 2 1 218.344 1.817 20 0 BDADMP Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000335305436 136022470 /nfs/dbraw/zinc/02/24/70/136022470.db2.gz UYEUDPWJHNWNLI-TZMCWYRMSA-N 2 1 218.344 1.817 20 0 BDADMP COCC(C)(C)C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000348167237 136042438 /nfs/dbraw/zinc/04/24/38/136042438.db2.gz OXVFYXZQFRTULQ-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000348167237 136042439 /nfs/dbraw/zinc/04/24/39/136042439.db2.gz OXVFYXZQFRTULQ-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571676 136109790 /nfs/dbraw/zinc/10/97/90/136109790.db2.gz ZNIKERQHRUTZGJ-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571676 136109791 /nfs/dbraw/zinc/10/97/91/136109791.db2.gz ZNIKERQHRUTZGJ-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000367048034 136113119 /nfs/dbraw/zinc/11/31/19/136113119.db2.gz PWBBXFPYRDWJTP-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367048034 136113120 /nfs/dbraw/zinc/11/31/20/136113120.db2.gz PWBBXFPYRDWJTP-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367048034 136113121 /nfs/dbraw/zinc/11/31/21/136113121.db2.gz PWBBXFPYRDWJTP-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000367048034 136113122 /nfs/dbraw/zinc/11/31/22/136113122.db2.gz PWBBXFPYRDWJTP-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000367048034 136113123 /nfs/dbraw/zinc/11/31/23/136113123.db2.gz PWBBXFPYRDWJTP-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H](C)C[NH2+]CCn1cc[nH+]c1C ZINC000045695239 322844641 /nfs/dbraw/zinc/84/46/41/322844641.db2.gz FIVRWOGVOJUJGR-SNVBAGLBSA-N 2 1 211.309 1.064 20 0 BDADMP c1cc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647514036 397771536 /nfs/dbraw/zinc/77/15/36/397771536.db2.gz AYZWPHMQMHBVCX-OLZOCXBDSA-N 2 1 248.374 1.589 20 0 BDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000649573198 397965161 /nfs/dbraw/zinc/96/51/61/397965161.db2.gz XIVZMWRSPDPRRD-JHJVBQTASA-N 2 1 225.380 1.105 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649548349 397940290 /nfs/dbraw/zinc/94/02/90/397940290.db2.gz UWWMPPOECQTEQN-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+](C)C[C@H]1CCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649548349 397940294 /nfs/dbraw/zinc/94/02/94/397940294.db2.gz UWWMPPOECQTEQN-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+](C)C[C@H]1CCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649548349 397940297 /nfs/dbraw/zinc/94/02/97/397940297.db2.gz UWWMPPOECQTEQN-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376555 397956857 /nfs/dbraw/zinc/95/68/57/397956857.db2.gz YBVBUQAWPYKQOD-GFCCVEGCSA-N 2 1 244.379 1.112 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)CCSC ZINC000156881676 397926271 /nfs/dbraw/zinc/92/62/71/397926271.db2.gz QIDCASRMYHIWKQ-JTQLQIEISA-N 2 1 204.383 1.669 20 0 BDADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000164644830 397999981 /nfs/dbraw/zinc/99/99/81/397999981.db2.gz PLBBXHNVOYGOPQ-RYUDHWBXSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1C ZINC000649618612 398004522 /nfs/dbraw/zinc/00/45/22/398004522.db2.gz GBEBBBLNBHBPRG-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)C[C@H](C)[N@H+]1C ZINC000649618612 398004525 /nfs/dbraw/zinc/00/45/25/398004525.db2.gz GBEBBBLNBHBPRG-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000649618612 398004528 /nfs/dbraw/zinc/00/45/28/398004528.db2.gz GBEBBBLNBHBPRG-FRRDWIJNSA-N 2 1 225.380 1.105 20 0 BDADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000303305616 398013757 /nfs/dbraw/zinc/01/37/57/398013757.db2.gz QTRLIVARSKBEFJ-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[N@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414676559 398014750 /nfs/dbraw/zinc/01/47/50/398014750.db2.gz VGXBZNLFJXOUME-NEPJUHHUSA-N 2 1 242.363 1.260 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414826546 398048877 /nfs/dbraw/zinc/04/88/77/398048877.db2.gz FQEHQFGKWGMMEL-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414826546 398048880 /nfs/dbraw/zinc/04/88/80/398048880.db2.gz FQEHQFGKWGMMEL-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000647934804 398034337 /nfs/dbraw/zinc/03/43/37/398034337.db2.gz REJIQZRGBQEURW-JSGCOSHPSA-N 2 1 233.359 1.828 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C2CC2)CC1)C1CC1 ZINC000383982548 398054039 /nfs/dbraw/zinc/05/40/39/398054039.db2.gz MBTSHXBRLJBPFU-CYBMUJFWSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C2CC2)CC1)C1CC1 ZINC000383982548 398054043 /nfs/dbraw/zinc/05/40/43/398054043.db2.gz MBTSHXBRLJBPFU-CYBMUJFWSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C2CC2)CC1)C1CC1 ZINC000383982565 398054105 /nfs/dbraw/zinc/05/41/05/398054105.db2.gz MBTSHXBRLJBPFU-ZDUSSCGKSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C2CC2)CC1)C1CC1 ZINC000383982565 398054106 /nfs/dbraw/zinc/05/41/06/398054106.db2.gz MBTSHXBRLJBPFU-ZDUSSCGKSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)[C@H](C)O1 ZINC000384734470 398103590 /nfs/dbraw/zinc/10/35/90/398103590.db2.gz KIHZOSOKBAROCG-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414944468 398119519 /nfs/dbraw/zinc/11/95/19/398119519.db2.gz OCXBIYXUQMVQMA-NSHDSACASA-N 2 1 234.343 1.491 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436380 398130350 /nfs/dbraw/zinc/13/03/50/398130350.db2.gz PGPQDISKVNFHKQ-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414979678 398134613 /nfs/dbraw/zinc/13/46/13/398134613.db2.gz OGLPLPZFHLDHIF-LLVKDONJSA-N 2 1 218.304 1.390 20 0 BDADMP Cc1nocc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276328 487529577 /nfs/dbraw/zinc/52/95/77/487529577.db2.gz LGEHVEPUPWZBFU-GXTWGEPZSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1nocc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276328 487529580 /nfs/dbraw/zinc/52/95/80/487529580.db2.gz LGEHVEPUPWZBFU-GXTWGEPZSA-N 2 1 249.358 1.947 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000259083820 322881754 /nfs/dbraw/zinc/88/17/54/322881754.db2.gz RHYDPXCIFWTEEK-NEPJUHHUSA-N 2 1 248.326 1.427 20 0 BDADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000227923424 487568124 /nfs/dbraw/zinc/56/81/24/487568124.db2.gz FKWGXXWDEDIVLF-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357087775 167216159 /nfs/dbraw/zinc/21/61/59/167216159.db2.gz WZKDLTYEHXYFCV-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000011891421 167217104 /nfs/dbraw/zinc/21/71/04/167217104.db2.gz QXXFQZKFHFWZJP-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128130700 167246162 /nfs/dbraw/zinc/24/61/62/167246162.db2.gz DJMXOYUARCCXKW-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP C([NH2+]C1CSC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819272 487587621 /nfs/dbraw/zinc/58/76/21/487587621.db2.gz NPIFEQDEGDRGCC-LBPRGKRZSA-N 2 1 240.416 1.813 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532291114 487601896 /nfs/dbraw/zinc/60/18/96/487601896.db2.gz HYHXUJUGUIIRMQ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000662265669 409563240 /nfs/dbraw/zinc/56/32/40/409563240.db2.gz HSRPSJNJHFLTGY-SCZZXKLOSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000662265669 409563243 /nfs/dbraw/zinc/56/32/43/409563243.db2.gz HSRPSJNJHFLTGY-SCZZXKLOSA-N 2 1 209.293 1.152 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000662266288 409565752 /nfs/dbraw/zinc/56/57/52/409565752.db2.gz LDUWIIKHBYLBGK-UWVGGRQHSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000662266288 409565764 /nfs/dbraw/zinc/56/57/64/409565764.db2.gz LDUWIIKHBYLBGK-UWVGGRQHSA-N 2 1 223.320 1.406 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000662245202 409538054 /nfs/dbraw/zinc/53/80/54/409538054.db2.gz IUFBYQCEIWSFQB-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248690 409548745 /nfs/dbraw/zinc/54/87/45/409548745.db2.gz AVOZISITIUXIDV-AWEZNQCLSA-N 2 1 246.354 1.639 20 0 BDADMP C[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248691 409548929 /nfs/dbraw/zinc/54/89/29/409548929.db2.gz AVOZISITIUXIDV-CQSZACIVSA-N 2 1 246.354 1.639 20 0 BDADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC2(CCC2)C1 ZINC000662255363 409551495 /nfs/dbraw/zinc/55/14/95/409551495.db2.gz OUOPRXKJMGEWIK-LBPRGKRZSA-N 2 1 236.359 1.383 20 0 BDADMP C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662315468 409635005 /nfs/dbraw/zinc/63/50/05/409635005.db2.gz FWXCUEQFXBBZPY-MJBXVCDLSA-N 2 1 238.375 1.344 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662280789 409601052 /nfs/dbraw/zinc/60/10/52/409601052.db2.gz FVMJKPJWSHTHEC-GXSJLCMTSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662280789 409601064 /nfs/dbraw/zinc/60/10/64/409601064.db2.gz FVMJKPJWSHTHEC-GXSJLCMTSA-N 2 1 223.320 1.400 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000308793840 409905609 /nfs/dbraw/zinc/90/56/09/409905609.db2.gz BTVQZJUIZNFMDU-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000308793840 409905615 /nfs/dbraw/zinc/90/56/15/409905615.db2.gz BTVQZJUIZNFMDU-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000308793840 409905620 /nfs/dbraw/zinc/90/56/20/409905620.db2.gz BTVQZJUIZNFMDU-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000308793840 409905625 /nfs/dbraw/zinc/90/56/25/409905625.db2.gz BTVQZJUIZNFMDU-LBPRGKRZSA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+](C)CC(C)(C)NC[C@H]1CCC[N@@H+]1C ZINC000308630816 409893180 /nfs/dbraw/zinc/89/31/80/409893180.db2.gz IFKYWYISUGYYOG-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP C[NH+](C)CC(C)(C)NC[C@H]1CCC[N@H+]1C ZINC000308630816 409893184 /nfs/dbraw/zinc/89/31/84/409893184.db2.gz IFKYWYISUGYYOG-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP CC[C@H](C)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000226433658 487611896 /nfs/dbraw/zinc/61/18/96/487611896.db2.gz SVBMYSZGKKDEQN-HBNTYKKESA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@H](C)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000226433658 487611901 /nfs/dbraw/zinc/61/19/01/487611901.db2.gz SVBMYSZGKKDEQN-HBNTYKKESA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707260 410337952 /nfs/dbraw/zinc/33/79/52/410337952.db2.gz BVMLLJFRBGZEMV-MJBXVCDLSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709775 410340682 /nfs/dbraw/zinc/34/06/82/410340682.db2.gz PYNIRNBBBGPSTE-RNJOBUHISA-N 2 1 208.349 1.703 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711542 410341704 /nfs/dbraw/zinc/34/17/04/410341704.db2.gz WPTIVBZEYCZTLC-MFKMUULPSA-N 2 1 236.363 1.667 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2c(C)noc2C)CC[C@@H]1[NH3+] ZINC000122233619 410293066 /nfs/dbraw/zinc/29/30/66/410293066.db2.gz MILMBPPYPOHJSX-YPMHNXCESA-N 2 1 237.347 1.851 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2c(C)noc2C)CC[C@@H]1[NH3+] ZINC000122233619 410293076 /nfs/dbraw/zinc/29/30/76/410293076.db2.gz MILMBPPYPOHJSX-YPMHNXCESA-N 2 1 237.347 1.851 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CCN1C ZINC000650763923 410414843 /nfs/dbraw/zinc/41/48/43/410414843.db2.gz MHEFBVQRRGAGIU-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC2CC2)C1 ZINC000650723187 410361104 /nfs/dbraw/zinc/36/11/04/410361104.db2.gz IQYNYWOSIZAZIM-MCIONIFRSA-N 2 1 238.375 1.757 20 0 BDADMP c1ccc2c(c1)CC[C@H](CC[NH2+][C@H]1CC[NH2+]C1)N2 ZINC000650720820 410361140 /nfs/dbraw/zinc/36/11/40/410361140.db2.gz BZESCPSUOVUUAJ-KGLIPLIRSA-N 2 1 245.370 1.755 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)C1C[NH2+]C1 ZINC000650741188 410373230 /nfs/dbraw/zinc/37/32/30/410373230.db2.gz ZSYFDUBHDBBZON-LBPRGKRZSA-N 2 1 227.396 1.162 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cn[nH]c1 ZINC000650754914 410400347 /nfs/dbraw/zinc/40/03/47/410400347.db2.gz UWLBMKPXVDNPPN-SECBINFHSA-N 2 1 248.305 1.858 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000650763923 410414834 /nfs/dbraw/zinc/41/48/34/410414834.db2.gz MHEFBVQRRGAGIU-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)CC[NH2+]1 ZINC000653279856 410631526 /nfs/dbraw/zinc/63/15/26/410631526.db2.gz BQQMLXJAAUAUGX-LPWJVIDDSA-N 3 1 225.380 1.186 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1(C)CC1 ZINC000309282708 410712511 /nfs/dbraw/zinc/71/25/11/410712511.db2.gz UEUZFLJYBRSRHB-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1(C)CC1 ZINC000309282708 410712519 /nfs/dbraw/zinc/71/25/19/410712519.db2.gz UEUZFLJYBRSRHB-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000309282708 410712523 /nfs/dbraw/zinc/71/25/23/410712523.db2.gz UEUZFLJYBRSRHB-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000309282708 410712530 /nfs/dbraw/zinc/71/25/30/410712530.db2.gz UEUZFLJYBRSRHB-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](COCC1CC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665236583 410725866 /nfs/dbraw/zinc/72/58/66/410725866.db2.gz QAIIAMPTSHSFSM-IACUBPJLSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H](C1CC1)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000393735458 410757871 /nfs/dbraw/zinc/75/78/71/410757871.db2.gz BFOYMYFJJKCXTQ-GHMZBOCLSA-N 2 1 208.349 1.859 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH2+]C)C12CCCC2 ZINC000665296002 410802824 /nfs/dbraw/zinc/80/28/24/410802824.db2.gz LNBUEMIQRBCSRF-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000309300779 410748464 /nfs/dbraw/zinc/74/84/64/410748464.db2.gz YFGNPWYWPGUZRD-XQQFMLRXSA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000309300779 410748469 /nfs/dbraw/zinc/74/84/69/410748469.db2.gz YFGNPWYWPGUZRD-XQQFMLRXSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000309300779 410748475 /nfs/dbraw/zinc/74/84/75/410748475.db2.gz YFGNPWYWPGUZRD-XQQFMLRXSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000309300779 410748480 /nfs/dbraw/zinc/74/84/80/410748480.db2.gz YFGNPWYWPGUZRD-XQQFMLRXSA-N 2 1 228.380 1.277 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000665297648 410819397 /nfs/dbraw/zinc/81/93/97/410819397.db2.gz JEXMHYDCUUJJKD-NEPJUHHUSA-N 2 1 224.352 1.105 20 0 BDADMP CC(C)OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123305099 167229292 /nfs/dbraw/zinc/22/92/92/167229292.db2.gz BOSUFESBIKJLFU-QWHCGFSZSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123305099 167229295 /nfs/dbraw/zinc/22/92/95/167229295.db2.gz BOSUFESBIKJLFU-QWHCGFSZSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123305099 167229297 /nfs/dbraw/zinc/22/92/97/167229297.db2.gz BOSUFESBIKJLFU-QWHCGFSZSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123305099 167229298 /nfs/dbraw/zinc/22/92/98/167229298.db2.gz BOSUFESBIKJLFU-QWHCGFSZSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000651865665 411148126 /nfs/dbraw/zinc/14/81/26/411148126.db2.gz CPUZCZURDWCWFF-UONOGXRCSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000651865665 411148127 /nfs/dbraw/zinc/14/81/27/411148127.db2.gz CPUZCZURDWCWFF-UONOGXRCSA-N 2 1 241.423 1.504 20 0 BDADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000651865665 411148128 /nfs/dbraw/zinc/14/81/28/411148128.db2.gz CPUZCZURDWCWFF-UONOGXRCSA-N 2 1 241.423 1.504 20 0 BDADMP C[C@H](O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000655949220 411161241 /nfs/dbraw/zinc/16/12/41/411161241.db2.gz PZOHAHFESDXGAV-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CCO)[N@H+](C)CCCc1c[nH+]cn1C ZINC000653780051 411169534 /nfs/dbraw/zinc/16/95/34/411169534.db2.gz RMMGLEHHLQQJJI-LLVKDONJSA-N 2 1 225.336 1.055 20 0 BDADMP C[C@H](CCO)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653780051 411169537 /nfs/dbraw/zinc/16/95/37/411169537.db2.gz RMMGLEHHLQQJJI-LLVKDONJSA-N 2 1 225.336 1.055 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000653677738 411169758 /nfs/dbraw/zinc/16/97/58/411169758.db2.gz BUUYCSXGOBLBNI-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000653677738 411169760 /nfs/dbraw/zinc/16/97/60/411169760.db2.gz BUUYCSXGOBLBNI-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000653677738 411169762 /nfs/dbraw/zinc/16/97/62/411169762.db2.gz BUUYCSXGOBLBNI-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP COC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1CC1 ZINC000652221974 411175777 /nfs/dbraw/zinc/17/57/77/411175777.db2.gz BCWRHCRBDCUXOX-CQSZACIVSA-N 2 1 242.407 1.979 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000655754148 411184464 /nfs/dbraw/zinc/18/44/64/411184464.db2.gz NVCUILPROPIYHK-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000656193032 411198646 /nfs/dbraw/zinc/19/86/46/411198646.db2.gz JEYROLRJAAZTRY-FRRDWIJNSA-N 3 1 237.391 1.521 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000656193945 411199733 /nfs/dbraw/zinc/19/97/33/411199733.db2.gz ZFPGUHDMNMGHKQ-LBPRGKRZSA-N 2 1 226.364 1.757 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000656193945 411199735 /nfs/dbraw/zinc/19/97/35/411199735.db2.gz ZFPGUHDMNMGHKQ-LBPRGKRZSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000656194210 411199867 /nfs/dbraw/zinc/19/98/67/411199867.db2.gz DTIKEXNADARRQC-SRVKXCTJSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCCO1 ZINC000061934601 411201985 /nfs/dbraw/zinc/20/19/85/411201985.db2.gz OXHREIFVEHGETK-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000656200320 411204766 /nfs/dbraw/zinc/20/47/66/411204766.db2.gz LOXPBLHCRKHCGM-ZFWWWQNUSA-N 2 1 247.386 1.971 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000652341161 411206085 /nfs/dbraw/zinc/20/60/85/411206085.db2.gz LKOMEWHYVIFODX-DHGKCCLASA-N 2 1 240.391 1.514 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422883829 411233941 /nfs/dbraw/zinc/23/39/41/411233941.db2.gz VRFNWXHDOFNGTP-KGLIPLIRSA-N 2 1 241.423 1.966 20 0 BDADMP OC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000658086121 411235810 /nfs/dbraw/zinc/23/58/10/411235810.db2.gz FEBTYCRYDPIKOB-CQSZACIVSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423173366 411236585 /nfs/dbraw/zinc/23/65/85/411236585.db2.gz YEEMYKQECSWNLP-KBPBESRZSA-N 3 1 241.423 1.825 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)C1CCSCC1 ZINC000423327049 411238822 /nfs/dbraw/zinc/23/88/22/411238822.db2.gz NHJGLCRQQUVRMT-RKDXNWHRSA-N 2 1 202.367 1.455 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000396726908 411240774 /nfs/dbraw/zinc/24/07/74/411240774.db2.gz ZDZBJCQGKAGLHE-SDDRHHMPSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1(CO)CC1 ZINC000658151989 411266828 /nfs/dbraw/zinc/26/68/28/411266828.db2.gz CTVMOINOVVRXFW-NSHDSACASA-N 2 1 238.375 1.364 20 0 BDADMP CCCC[N@@H+](CCOC)C[C@H]1CC[NH2+]C1 ZINC000309840487 411268180 /nfs/dbraw/zinc/26/81/80/411268180.db2.gz OOUHLQGDZIEIPF-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCCn3ccnc32)CC[N@H+]1C ZINC000655715431 411270287 /nfs/dbraw/zinc/27/02/87/411270287.db2.gz KCEIAEBGPGPWIK-FRRDWIJNSA-N 2 1 248.374 1.790 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1(CO)CC1 ZINC000658159784 411273295 /nfs/dbraw/zinc/27/32/95/411273295.db2.gz KVUZTLMXIRWMOZ-UTUOFQBUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1(CO)CC1 ZINC000658159784 411273300 /nfs/dbraw/zinc/27/33/00/411273300.db2.gz KVUZTLMXIRWMOZ-UTUOFQBUSA-N 2 1 226.364 1.220 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000658161071 411274434 /nfs/dbraw/zinc/27/44/34/411274434.db2.gz IZVDAFGDQHNSTL-YVECIDJPSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000658161071 411274437 /nfs/dbraw/zinc/27/44/37/411274437.db2.gz IZVDAFGDQHNSTL-YVECIDJPSA-N 2 1 226.364 1.626 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402615147 411279108 /nfs/dbraw/zinc/27/91/08/411279108.db2.gz RELBGGXPHCCDBX-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP FC(F)(F)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889884 411285320 /nfs/dbraw/zinc/28/53/20/411285320.db2.gz BKYOGNZJTCBOOZ-ZJUUUORDSA-N 2 1 236.281 1.870 20 0 BDADMP FC(F)(F)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889884 411285322 /nfs/dbraw/zinc/28/53/22/411285322.db2.gz BKYOGNZJTCBOOZ-ZJUUUORDSA-N 2 1 236.281 1.870 20 0 BDADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000051889631 411285653 /nfs/dbraw/zinc/28/56/53/411285653.db2.gz VDXNTTATJSUJCG-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000658239484 411308335 /nfs/dbraw/zinc/30/83/35/411308335.db2.gz VIGDNCWRUJMWAG-QWHCGFSZSA-N 2 1 248.374 1.792 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000658239484 411308337 /nfs/dbraw/zinc/30/83/37/411308337.db2.gz VIGDNCWRUJMWAG-QWHCGFSZSA-N 2 1 248.374 1.792 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CC2)CC[N@H+]1C ZINC000658252114 411314791 /nfs/dbraw/zinc/31/47/91/411314791.db2.gz YQAQSCLMYIKVPQ-BNOWGMLFSA-N 2 1 240.391 1.467 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401751024 411318069 /nfs/dbraw/zinc/31/80/69/411318069.db2.gz NTHQQEKTHWJUIA-RAIGVLPGSA-N 2 1 228.380 1.371 20 0 BDADMP C[C@H](F)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655770981 411252637 /nfs/dbraw/zinc/25/26/37/411252637.db2.gz WFOOSLPDPMVTQE-WCQYABFASA-N 2 1 244.354 1.577 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH3+])[C@H](CC)CO1 ZINC000403734694 411356456 /nfs/dbraw/zinc/35/64/56/411356456.db2.gz IIKMAPYMEVWNMT-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H](C)C(C)(C)C)CCO1 ZINC000304282620 411357877 /nfs/dbraw/zinc/35/78/77/411357877.db2.gz MLCOKDJPUDWUBO-WOPDTQHZSA-N 2 1 228.380 1.717 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782547 411360438 /nfs/dbraw/zinc/36/04/38/411360438.db2.gz HJMLFPSAEPUYJE-ZDUSSCGKSA-N 3 1 225.380 1.047 20 0 BDADMP c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)co1 ZINC000656783979 411361678 /nfs/dbraw/zinc/36/16/78/411361678.db2.gz WYCHXMSAJVJQIG-ZDUSSCGKSA-N 2 1 249.358 1.886 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000656791610 411370552 /nfs/dbraw/zinc/37/05/52/411370552.db2.gz IINJFQVVANAQJC-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H](C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000656706071 411335185 /nfs/dbraw/zinc/33/51/85/411335185.db2.gz XYSMNSAOMOMPLE-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H](C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000656706071 411335188 /nfs/dbraw/zinc/33/51/88/411335188.db2.gz XYSMNSAOMOMPLE-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000063195722 411347667 /nfs/dbraw/zinc/34/76/67/411347667.db2.gz IGJHLVAFQFHWMU-AVGNSLFASA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC000063195722 411347668 /nfs/dbraw/zinc/34/76/68/411347668.db2.gz IGJHLVAFQFHWMU-AVGNSLFASA-N 2 1 226.364 1.757 20 0 BDADMP CC1([NH2+]Cc2ccsc2)CC[NH2+]CC1 ZINC000334841436 168063900 /nfs/dbraw/zinc/06/39/00/168063900.db2.gz HZYYLPQDCMGYCY-UHFFFAOYSA-N 2 1 210.346 1.980 20 0 BDADMP C[C@H](O)CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665073 411376839 /nfs/dbraw/zinc/37/68/39/411376839.db2.gz TZMVRWAJJYYAOP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665073 411376845 /nfs/dbraw/zinc/37/68/45/411376845.db2.gz TZMVRWAJJYYAOP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)CCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665073 411376850 /nfs/dbraw/zinc/37/68/50/411376850.db2.gz TZMVRWAJJYYAOP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659929115 411385137 /nfs/dbraw/zinc/38/51/37/411385137.db2.gz WYSOCGNDSODJNI-RYUDHWBXSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CO1 ZINC000657313684 411460856 /nfs/dbraw/zinc/46/08/56/411460856.db2.gz MPPYWACTQBQCJE-XDQVBPFNSA-N 2 1 238.375 1.770 20 0 BDADMP CCO[C@@H]1C[N@@H+]([C@@H](C)c2ccncc2)C[C@H]1C[NH3+] ZINC000405277236 411423015 /nfs/dbraw/zinc/42/30/15/411423015.db2.gz YOARUVBQJSJHDE-IACUBPJLSA-N 2 1 249.358 1.438 20 0 BDADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2ccncc2)C[C@H]1C[NH3+] ZINC000405277236 411423018 /nfs/dbraw/zinc/42/30/18/411423018.db2.gz YOARUVBQJSJHDE-IACUBPJLSA-N 2 1 249.358 1.438 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)CO1 ZINC000657292327 411453591 /nfs/dbraw/zinc/45/35/91/411453591.db2.gz HZPPUAYTTOUTKS-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000657295800 411454584 /nfs/dbraw/zinc/45/45/84/411454584.db2.gz ZJTDEZQOEPZISF-OCCSQVGLSA-N 2 1 238.375 1.770 20 0 BDADMP Cc1c[nH]c(CNC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000657334725 411468499 /nfs/dbraw/zinc/46/84/99/411468499.db2.gz FTHSZDTVHBXRJA-GFCCVEGCSA-N 2 1 236.363 1.538 20 0 BDADMP C[NH+](C)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000659838837 411471237 /nfs/dbraw/zinc/47/12/37/411471237.db2.gz PTKFHWLDBUMDOA-LBPRGKRZSA-N 2 1 226.364 1.580 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657358770 411476340 /nfs/dbraw/zinc/47/63/40/411476340.db2.gz NMJGXNVQEJHPHL-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657358770 411476342 /nfs/dbraw/zinc/47/63/42/411476342.db2.gz NMJGXNVQEJHPHL-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP CC(C)C[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000307846066 411487118 /nfs/dbraw/zinc/48/71/18/411487118.db2.gz QVBRORXLJGKIGA-OLZOCXBDSA-N 2 1 210.365 1.964 20 0 BDADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000307846067 411487239 /nfs/dbraw/zinc/48/72/39/411487239.db2.gz QVBRORXLJGKIGA-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000300949728 411492349 /nfs/dbraw/zinc/49/23/49/411492349.db2.gz HAFPOXRONASUNT-RYUDHWBXSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2scnc2C)C1 ZINC000084149287 170008634 /nfs/dbraw/zinc/00/86/34/170008634.db2.gz MGPLMKGEDYFQDI-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2scnc2C)C1 ZINC000084149287 170008635 /nfs/dbraw/zinc/00/86/35/170008635.db2.gz MGPLMKGEDYFQDI-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000360412251 170008890 /nfs/dbraw/zinc/00/88/90/170008890.db2.gz GAANYNLLNBBEQI-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000309186122 170009061 /nfs/dbraw/zinc/00/90/61/170009061.db2.gz BHZDAIMCYRTYIR-OLZOCXBDSA-N 3 1 227.396 1.435 20 0 BDADMP CCN1CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000309186122 170009062 /nfs/dbraw/zinc/00/90/62/170009062.db2.gz BHZDAIMCYRTYIR-OLZOCXBDSA-N 2 1 227.396 1.435 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000037484294 170015184 /nfs/dbraw/zinc/01/51/84/170015184.db2.gz KOYDZILJWICUSS-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000085579302 170015323 /nfs/dbraw/zinc/01/53/23/170015323.db2.gz JLVBPNALMYFJQR-GFCCVEGCSA-N 2 1 207.321 1.446 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000309468997 170016600 /nfs/dbraw/zinc/01/66/00/170016600.db2.gz UARYFVHIBRTFGB-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000336672805 170016694 /nfs/dbraw/zinc/01/66/94/170016694.db2.gz GOLAWFZXPUPVEV-FDYHWXHSSA-N 2 1 210.365 1.962 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000336672806 170017457 /nfs/dbraw/zinc/01/74/57/170017457.db2.gz GOLAWFZXPUPVEV-UMSGYPCISA-N 2 1 210.365 1.962 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)OC)C[C@@H]1C ZINC000336673355 170019093 /nfs/dbraw/zinc/01/90/93/170019093.db2.gz KQHVNGLAHBKBSI-XQQFMLRXSA-N 2 1 228.380 1.826 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)OC)C[C@@H]1C ZINC000336673355 170019094 /nfs/dbraw/zinc/01/90/94/170019094.db2.gz KQHVNGLAHBKBSI-XQQFMLRXSA-N 2 1 228.380 1.826 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)OC)C[C@@H]1C ZINC000336673355 170019097 /nfs/dbraw/zinc/01/90/97/170019097.db2.gz KQHVNGLAHBKBSI-XQQFMLRXSA-N 2 1 228.380 1.826 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@@H](C)C1 ZINC000353623249 170021107 /nfs/dbraw/zinc/02/11/07/170021107.db2.gz BAAKEGWFPHYEMX-AAEUAGOBSA-N 2 1 236.363 1.272 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)[C@@H](C)C1 ZINC000305091762 170021206 /nfs/dbraw/zinc/02/12/06/170021206.db2.gz XXCKJDQECAIBHG-ABXWRUBCSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CC2)[C@@H](C)C1 ZINC000340492596 170021215 /nfs/dbraw/zinc/02/12/15/170021215.db2.gz RJNOZLQZJHMGHT-FPMFFAJLSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC000309958780 170037343 /nfs/dbraw/zinc/03/73/43/170037343.db2.gz JYJUHKZTQMTMRO-AVGNSLFASA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](CC)[C@@H](C)CN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000355334730 170038045 /nfs/dbraw/zinc/03/80/45/170038045.db2.gz SMCQOMYAUNVBJX-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC([NH+](C)C)C1 ZINC000276315673 170303906 /nfs/dbraw/zinc/30/39/06/170303906.db2.gz SWQYLNYIRBJVOQ-UHFFFAOYSA-N 2 1 249.314 1.009 20 0 BDADMP CCOCC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000082666932 170396171 /nfs/dbraw/zinc/39/61/71/170396171.db2.gz HFYIATHHCSFUSI-LBPRGKRZSA-N 2 1 214.353 1.487 20 0 BDADMP c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343661 411634343 /nfs/dbraw/zinc/63/43/43/411634343.db2.gz APTJYIYJOLRUIF-ZDUSSCGKSA-N 2 1 248.374 1.621 20 0 BDADMP c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343661 411634348 /nfs/dbraw/zinc/63/43/48/411634348.db2.gz APTJYIYJOLRUIF-ZDUSSCGKSA-N 2 1 248.374 1.621 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CC(CF)(CF)C1 ZINC000657864588 411613521 /nfs/dbraw/zinc/61/35/21/411613521.db2.gz QWPJVSVSXQRHGK-UHFFFAOYSA-N 2 1 243.301 1.869 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657162 411614486 /nfs/dbraw/zinc/61/44/86/411614486.db2.gz OCFFLGQCTSENAS-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657162 411614487 /nfs/dbraw/zinc/61/44/87/411614487.db2.gz OCFFLGQCTSENAS-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657162 411614488 /nfs/dbraw/zinc/61/44/88/411614488.db2.gz OCFFLGQCTSENAS-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](CO)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665951 411615772 /nfs/dbraw/zinc/61/57/72/411615772.db2.gz ZZLZRAKPOPAFMK-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP C[C@H](CO)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665951 411615774 /nfs/dbraw/zinc/61/57/74/411615774.db2.gz ZZLZRAKPOPAFMK-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP C[C@H](CO)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665951 411615776 /nfs/dbraw/zinc/61/57/76/411615776.db2.gz ZZLZRAKPOPAFMK-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1C ZINC000133121746 411621475 /nfs/dbraw/zinc/62/14/75/411621475.db2.gz GOZIUUAOASGQDA-DOMZBBRYSA-N 2 1 248.370 1.751 20 0 BDADMP C[N@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663315847 411622974 /nfs/dbraw/zinc/62/29/74/411622974.db2.gz PDVLBCBPCVGMBL-UHFFFAOYSA-N 2 1 230.315 1.705 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(C)CC1 ZINC000663498400 411680768 /nfs/dbraw/zinc/68/07/68/411680768.db2.gz BSLWKFGJOUWODX-GFCCVEGCSA-N 2 1 213.369 1.044 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000663502732 411686321 /nfs/dbraw/zinc/68/63/21/411686321.db2.gz LIBFAXSMFIHWAF-VXGBXAGGSA-N 3 1 213.369 1.092 20 0 BDADMP CC1(C)Cc2n[nH]cc2C[N@H+](CC2(C[NH3+])CC2)C1 ZINC000663508981 411690676 /nfs/dbraw/zinc/69/06/76/411690676.db2.gz IHBVHWWHXZDQFW-UHFFFAOYSA-N 2 1 248.374 1.533 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](COC)CC(C)C ZINC000663512081 411695750 /nfs/dbraw/zinc/69/57/50/411695750.db2.gz FHPKOVSOEHCIRN-GHMZBOCLSA-N 2 1 202.342 1.245 20 0 BDADMP Cc1cc(CO)cc(N2CC[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000663788793 411747887 /nfs/dbraw/zinc/74/78/87/411747887.db2.gz UIGWTGCITZFYGN-GFCCVEGCSA-N 2 1 249.358 1.270 20 0 BDADMP CCc1nc(N2CC(C[NH+](C)C)C2)cc(C)[nH+]1 ZINC000663949819 411789018 /nfs/dbraw/zinc/78/90/18/411789018.db2.gz GKGGXSULOCBZGI-UHFFFAOYSA-N 2 1 234.347 1.345 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)C1CCC1 ZINC000661151528 411720545 /nfs/dbraw/zinc/72/05/45/411720545.db2.gz JQRUEUVEKBVPJV-CYBMUJFWSA-N 2 1 237.347 1.332 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661699679 411845371 /nfs/dbraw/zinc/84/53/71/411845371.db2.gz DSYTYWJEVIIYDR-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc[nH+]1 ZINC000664242452 411894730 /nfs/dbraw/zinc/89/47/30/411894730.db2.gz NYDAKTUURIFDLJ-STQMWFEESA-N 2 1 249.358 1.333 20 0 BDADMP Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc[nH+]1 ZINC000664242452 411894731 /nfs/dbraw/zinc/89/47/31/411894731.db2.gz NYDAKTUURIFDLJ-STQMWFEESA-N 2 1 249.358 1.333 20 0 BDADMP CC(C)CC1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000662066334 411968059 /nfs/dbraw/zinc/96/80/59/411968059.db2.gz JQQCRLGCZGKHOJ-CYBMUJFWSA-N 2 1 242.407 1.856 20 0 BDADMP O[C@@H]1CC[N@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC000662149049 412008633 /nfs/dbraw/zinc/00/86/33/412008633.db2.gz MUUWRTHHANIYQG-CQSZACIVSA-N 2 1 238.375 1.318 20 0 BDADMP CC(C)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154928 412009693 /nfs/dbraw/zinc/00/96/93/412009693.db2.gz HNUVFZRWPDOIBZ-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000662215028 412027559 /nfs/dbraw/zinc/02/75/59/412027559.db2.gz DSAQPNPWDIGGOC-TZMCWYRMSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@@H+](CCO[C@@H]1CC1(F)F)C1CC[NH2+]CC1 ZINC000662238458 412033640 /nfs/dbraw/zinc/03/36/40/412033640.db2.gz QBTRLHNPBHZBBZ-SNVBAGLBSA-N 2 1 234.290 1.094 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000662237314 412035748 /nfs/dbraw/zinc/03/57/48/412035748.db2.gz HYZCQHSEOLYEON-ZSBIGDGJSA-N 2 1 208.349 1.716 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](OC)C1CCC1 ZINC000662244600 412040835 /nfs/dbraw/zinc/04/08/35/412040835.db2.gz IUJPHDJZDMXBCW-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](OC)C1CCC1 ZINC000662244600 412040836 /nfs/dbraw/zinc/04/08/36/412040836.db2.gz IUJPHDJZDMXBCW-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248633 412046408 /nfs/dbraw/zinc/04/64/08/412046408.db2.gz IGPWQKUZEFPENI-NSHDSACASA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252872 412048956 /nfs/dbraw/zinc/04/89/56/412048956.db2.gz QTIWYRXRCXMLDM-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253968 412049161 /nfs/dbraw/zinc/04/91/61/412049161.db2.gz ZZGPSFVEARKXBE-GFCCVEGCSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc(C)n1 ZINC000662266389 412057976 /nfs/dbraw/zinc/05/79/76/412057976.db2.gz XJMOYIYDFYDFNS-ZYHUDNBSSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc(C)n1 ZINC000662266389 412057977 /nfs/dbraw/zinc/05/79/77/412057977.db2.gz XJMOYIYDFYDFNS-ZYHUDNBSSA-N 2 1 234.347 1.263 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)C1CCCC1 ZINC000662266428 412058162 /nfs/dbraw/zinc/05/81/62/412058162.db2.gz YZCZLOVVKCDGMO-MBNYWOFBSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@@H]1C[N@H+](CCNc2cc[nH+]cc2C)CCO1 ZINC000358916867 171081970 /nfs/dbraw/zinc/08/19/70/171081970.db2.gz UCCQWUVEADOKCH-CYBMUJFWSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@@H]1C[N@@H+](CCNc2cc[nH+]cc2C)CCO1 ZINC000358916867 171081972 /nfs/dbraw/zinc/08/19/72/171081972.db2.gz UCCQWUVEADOKCH-CYBMUJFWSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000036326916 171105005 /nfs/dbraw/zinc/10/50/05/171105005.db2.gz YIHJQWNZGDKLNT-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000036326916 171105006 /nfs/dbraw/zinc/10/50/06/171105006.db2.gz YIHJQWNZGDKLNT-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000346083262 171120644 /nfs/dbraw/zinc/12/06/44/171120644.db2.gz QSUKYNCTVXFONZ-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662276255 412068638 /nfs/dbraw/zinc/06/86/38/412068638.db2.gz IAIVDJAZCQJVGX-OFTGVCEQSA-N 2 1 208.349 1.844 20 0 BDADMP OCC1([NH2+]Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000662286219 412076897 /nfs/dbraw/zinc/07/68/97/412076897.db2.gz NBCWXDNOWMBGHP-UHFFFAOYSA-N 2 1 238.306 1.030 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000662284609 412075543 /nfs/dbraw/zinc/07/55/43/412075543.db2.gz NTTILEGLYQYGFU-KGYLQXTDSA-N 2 1 226.364 1.613 20 0 BDADMP CC[C@H](C)C[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336677495 171277834 /nfs/dbraw/zinc/27/78/34/171277834.db2.gz CPGJTQOGEQTYTA-JSGCOSHPSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336677495 171277837 /nfs/dbraw/zinc/27/78/37/171277837.db2.gz CPGJTQOGEQTYTA-JSGCOSHPSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H](C)C[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336677495 171277839 /nfs/dbraw/zinc/27/78/39/171277839.db2.gz CPGJTQOGEQTYTA-JSGCOSHPSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H](C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336677495 171277841 /nfs/dbraw/zinc/27/78/41/171277841.db2.gz CPGJTQOGEQTYTA-JSGCOSHPSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@H](C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304631518 171281493 /nfs/dbraw/zinc/28/14/93/171281493.db2.gz VNLNKVRYLZYWCN-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@H](C)[N@H+](CCO)CCn1cc[nH+]c1C ZINC000287383071 171313889 /nfs/dbraw/zinc/31/38/89/171313889.db2.gz NAKITIZCMASHBV-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@H](C)[N@@H+](CCO)CCn1cc[nH+]c1C ZINC000287383071 171313891 /nfs/dbraw/zinc/31/38/91/171313891.db2.gz NAKITIZCMASHBV-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP OCC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662299427 412085643 /nfs/dbraw/zinc/08/56/43/412085643.db2.gz PNVFHRKASWUYNT-KBPBESRZSA-N 2 1 240.391 1.613 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662290193 412080016 /nfs/dbraw/zinc/08/00/16/412080016.db2.gz MSBCVIWVCLKBIG-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662300957 412087082 /nfs/dbraw/zinc/08/70/82/412087082.db2.gz NVYYFJVLHNNLAM-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC2CC1(C[NH3+])C2 ZINC000662305070 412091919 /nfs/dbraw/zinc/09/19/19/412091919.db2.gz YCNWMQRXZKHYKA-UHFFFAOYSA-N 2 1 234.347 1.005 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000662311470 412094387 /nfs/dbraw/zinc/09/43/87/412094387.db2.gz SMMSYMSJMQZJDH-NEPJUHHUSA-N 2 1 232.343 1.028 20 0 BDADMP CO[C@H](C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326187 412102000 /nfs/dbraw/zinc/10/20/00/412102000.db2.gz VZYBSNAFIGHQOZ-OLZOCXBDSA-N 2 1 244.379 1.064 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCc2ccccc21 ZINC000662324389 412102880 /nfs/dbraw/zinc/10/28/80/412102880.db2.gz WWILKFKFBRJNOB-ZDUSSCGKSA-N 2 1 218.344 1.997 20 0 BDADMP CC12CC(C1)C[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000662337035 412106955 /nfs/dbraw/zinc/10/69/55/412106955.db2.gz ILLKDFMGNBTKAY-HIFPTAJRSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236630 412177317 /nfs/dbraw/zinc/17/73/17/412177317.db2.gz QXFRTRHUONGNBT-FRRDWIJNSA-N 2 1 239.407 1.447 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000665242926 412186720 /nfs/dbraw/zinc/18/67/20/412186720.db2.gz OVGQLVPDYDSWTL-DCAQKATOSA-N 2 1 212.337 1.142 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(CC)CC ZINC000665242712 412187354 /nfs/dbraw/zinc/18/73/54/412187354.db2.gz IDNFIFLIHBOZFS-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665248515 412195122 /nfs/dbraw/zinc/19/51/22/412195122.db2.gz YHADGPOSOFQYIV-VIFPVBQESA-N 2 1 222.336 1.640 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665249599 412195746 /nfs/dbraw/zinc/19/57/46/412195746.db2.gz UEVOTDXOURIQAR-DGCLKSJQSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665249599 412195748 /nfs/dbraw/zinc/19/57/48/412195748.db2.gz UEVOTDXOURIQAR-DGCLKSJQSA-N 2 1 237.391 1.330 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273863 412215419 /nfs/dbraw/zinc/21/54/19/412215419.db2.gz FVMIYVUEDBIGAR-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232459 412170819 /nfs/dbraw/zinc/17/08/19/412170819.db2.gz NCNVUKMVSIXTQA-YRGRVCCFSA-N 2 1 233.359 1.915 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000665274379 412217875 /nfs/dbraw/zinc/21/78/75/412217875.db2.gz PAEQJILZUDEYCT-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665277832 412220949 /nfs/dbraw/zinc/22/09/49/412220949.db2.gz MWALQCFAGGWEMA-BEVNXUHPSA-N 2 1 238.375 1.532 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1nccn1C ZINC000665280934 412226707 /nfs/dbraw/zinc/22/67/07/412226707.db2.gz PMAKZRBMOKTELO-WDEREUQCSA-N 2 1 224.352 1.444 20 0 BDADMP CC[C@H]([NH2+]C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000662580260 412227784 /nfs/dbraw/zinc/22/77/84/412227784.db2.gz FQOIVMGWDZPGLC-LBPRGKRZSA-N 2 1 243.395 1.079 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH2+]C)C12CCC2 ZINC000665295852 412234024 /nfs/dbraw/zinc/23/40/24/412234024.db2.gz KQQIMQVAGVOWEJ-QJPTWQEYSA-N 2 1 226.364 1.532 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000665294391 412237515 /nfs/dbraw/zinc/23/75/15/412237515.db2.gz NVLMYOGHHGWYKP-NXEZZACHSA-N 2 1 212.362 1.877 20 0 BDADMP CC[C@H]1CC[C@H](C)[N@H+]1CCOCC[NH3+] ZINC000136250630 171647100 /nfs/dbraw/zinc/64/71/00/171647100.db2.gz NCTYCWHIQAYBIX-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[N@H+]1C ZINC000132946843 412373541 /nfs/dbraw/zinc/37/35/41/412373541.db2.gz COXPFZLUEBXOID-WDEREUQCSA-N 2 1 241.379 1.103 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335270188 172269270 /nfs/dbraw/zinc/26/92/70/172269270.db2.gz PTYCRXZEWFHDLU-BETUJISGSA-N 2 1 248.374 1.334 20 0 BDADMP CCn1nccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291743866 172270354 /nfs/dbraw/zinc/27/03/54/172270354.db2.gz PFZVXGSOQKLOSG-NSHDSACASA-N 2 1 224.352 1.190 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3CC3)C2)C1 ZINC000336323139 173039253 /nfs/dbraw/zinc/03/92/53/173039253.db2.gz PBRVFBYULUMNSO-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000336323139 173039254 /nfs/dbraw/zinc/03/92/54/173039254.db2.gz PBRVFBYULUMNSO-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC000336323139 173039256 /nfs/dbraw/zinc/03/92/56/173039256.db2.gz PBRVFBYULUMNSO-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccncc3)CC[C@@H]21 ZINC000158694193 173059919 /nfs/dbraw/zinc/05/99/19/173059919.db2.gz RZYJDMAUVZYGET-GJZGRUSLSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccncc3)CC[C@@H]21 ZINC000158694193 173059922 /nfs/dbraw/zinc/05/99/22/173059922.db2.gz RZYJDMAUVZYGET-GJZGRUSLSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccncc3)CC[C@@H]21 ZINC000158694193 173059923 /nfs/dbraw/zinc/05/99/23/173059923.db2.gz RZYJDMAUVZYGET-GJZGRUSLSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]21 ZINC000158694193 173059925 /nfs/dbraw/zinc/05/99/25/173059925.db2.gz RZYJDMAUVZYGET-GJZGRUSLSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CC[C@H](N2C[C@H](CC[NH3+])c3ccccc32)C1 ZINC000063127441 173150011 /nfs/dbraw/zinc/15/00/11/173150011.db2.gz ZAHMWZPUIBAAFL-STQMWFEESA-N 2 1 245.370 1.643 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@H]2CCC[C@@H]21 ZINC000368610815 173151668 /nfs/dbraw/zinc/15/16/68/173151668.db2.gz BCXLDEHXOPVXJH-AGIUHOORSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCCO)C[C@H]1c1ccccc1 ZINC000340169147 173152438 /nfs/dbraw/zinc/15/24/38/173152438.db2.gz ZRAYWYVAZCAVTA-GJZGRUSLSA-N 2 1 248.370 1.794 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCO)C[C@H]1c1ccccc1 ZINC000340169147 173152441 /nfs/dbraw/zinc/15/24/41/173152441.db2.gz ZRAYWYVAZCAVTA-GJZGRUSLSA-N 2 1 248.370 1.794 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000335642483 173165764 /nfs/dbraw/zinc/16/57/64/173165764.db2.gz WPFXPKNXOYXHBS-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000335642483 173165766 /nfs/dbraw/zinc/16/57/66/173165766.db2.gz WPFXPKNXOYXHBS-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC)cc1 ZINC000042442184 173345763 /nfs/dbraw/zinc/34/57/63/173345763.db2.gz WHVASKLJNILJTN-UHFFFAOYSA-N 2 1 222.332 1.737 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000042442184 173345765 /nfs/dbraw/zinc/34/57/65/173345765.db2.gz WHVASKLJNILJTN-UHFFFAOYSA-N 2 1 222.332 1.737 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000124760124 173345993 /nfs/dbraw/zinc/34/59/93/173345993.db2.gz JJOYGPMKUWNOSO-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000124760124 173345995 /nfs/dbraw/zinc/34/59/95/173345995.db2.gz JJOYGPMKUWNOSO-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP C[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000121291613 173347765 /nfs/dbraw/zinc/34/77/65/173347765.db2.gz LBZYKLYNHFGZNR-CYBMUJFWSA-N 2 1 249.358 1.015 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000053013177 173370720 /nfs/dbraw/zinc/37/07/20/173370720.db2.gz XEYJUJUMSNFVET-LBPRGKRZSA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000053013177 173370721 /nfs/dbraw/zinc/37/07/21/173370721.db2.gz XEYJUJUMSNFVET-LBPRGKRZSA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000251285778 173371315 /nfs/dbraw/zinc/37/13/15/173371315.db2.gz SZAHDEIIOKEJJQ-NEPJUHHUSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2cccnc2)C1 ZINC000251285778 173371316 /nfs/dbraw/zinc/37/13/16/173371316.db2.gz SZAHDEIIOKEJJQ-NEPJUHHUSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000071142027 173381764 /nfs/dbraw/zinc/38/17/64/173381764.db2.gz ZGCZYUOBINBIMJ-GFCCVEGCSA-N 2 1 236.363 1.078 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000071142027 173381765 /nfs/dbraw/zinc/38/17/65/173381765.db2.gz ZGCZYUOBINBIMJ-GFCCVEGCSA-N 2 1 236.363 1.078 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000011891972 173381897 /nfs/dbraw/zinc/38/18/97/173381897.db2.gz NESTYQZIPTWODS-GFCCVEGCSA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000011891972 173381899 /nfs/dbraw/zinc/38/18/99/173381899.db2.gz NESTYQZIPTWODS-GFCCVEGCSA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000053033262 173382329 /nfs/dbraw/zinc/38/23/29/173382329.db2.gz WRNJTKVGSAXZQQ-CYBMUJFWSA-N 2 1 234.343 1.607 20 0 BDADMP COC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000037266511 174029266 /nfs/dbraw/zinc/02/92/66/174029266.db2.gz OSDYFZWXPXKYDE-NSHDSACASA-N 2 1 214.353 1.471 20 0 BDADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000358307334 174155597 /nfs/dbraw/zinc/15/55/97/174155597.db2.gz VIOAAUAVDCSPGD-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000358307332 174156534 /nfs/dbraw/zinc/15/65/34/174156534.db2.gz VIOAAUAVDCSPGD-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP COCCCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000359036163 174178487 /nfs/dbraw/zinc/17/84/87/174178487.db2.gz CCAQKMVTGLXEDG-QWHCGFSZSA-N 2 1 244.379 1.241 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000359036163 174178490 /nfs/dbraw/zinc/17/84/90/174178490.db2.gz CCAQKMVTGLXEDG-QWHCGFSZSA-N 2 1 244.379 1.241 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308803257 174195029 /nfs/dbraw/zinc/19/50/29/174195029.db2.gz ACJQSOBMDHXOIT-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP COCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123095805 174284198 /nfs/dbraw/zinc/28/41/98/174284198.db2.gz UFQWBGWFGHEPGW-MNOVXSKESA-N 2 1 200.326 1.047 20 0 BDADMP COCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123095805 174284199 /nfs/dbraw/zinc/28/41/99/174284199.db2.gz UFQWBGWFGHEPGW-MNOVXSKESA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123095805 174284201 /nfs/dbraw/zinc/28/42/01/174284201.db2.gz UFQWBGWFGHEPGW-MNOVXSKESA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123095805 174284203 /nfs/dbraw/zinc/28/42/03/174284203.db2.gz UFQWBGWFGHEPGW-MNOVXSKESA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000336783025 174305074 /nfs/dbraw/zinc/30/50/74/174305074.db2.gz ZGQRBOCVJDWAJD-LBPRGKRZSA-N 2 1 226.364 1.485 20 0 BDADMP COCCOCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000135728034 174348658 /nfs/dbraw/zinc/34/86/58/174348658.db2.gz HMBHWOJDIRSZQK-UHFFFAOYSA-N 2 1 244.379 1.113 20 0 BDADMP COCCOCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000336713125 174352284 /nfs/dbraw/zinc/35/22/84/174352284.db2.gz OEQXNFGJLBWBTP-UHFFFAOYSA-N 2 1 244.379 1.067 20 0 BDADMP COCCOCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000336713125 174352286 /nfs/dbraw/zinc/35/22/86/174352286.db2.gz OEQXNFGJLBWBTP-UHFFFAOYSA-N 2 1 244.379 1.067 20 0 BDADMP COCC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309131726 174385662 /nfs/dbraw/zinc/38/56/62/174385662.db2.gz XZCKIJQJHBHZAQ-VXGBXAGGSA-N 2 1 216.369 1.730 20 0 BDADMP COCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309131726 174385665 /nfs/dbraw/zinc/38/56/65/174385665.db2.gz XZCKIJQJHBHZAQ-VXGBXAGGSA-N 2 1 216.369 1.730 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000045021810 174409447 /nfs/dbraw/zinc/40/94/47/174409447.db2.gz MDGOXEAIPAVCSB-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045021810 174409448 /nfs/dbraw/zinc/40/94/48/174409448.db2.gz MDGOXEAIPAVCSB-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000062070571 175106646 /nfs/dbraw/zinc/10/66/46/175106646.db2.gz JLCRVQFJUSCESS-UHFFFAOYSA-N 2 1 249.358 1.666 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049713121 175260635 /nfs/dbraw/zinc/26/06/35/175260635.db2.gz VWCBZWSJGSRPBH-RISCZKNCSA-N 2 1 234.343 1.864 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000234979298 175260734 /nfs/dbraw/zinc/26/07/34/175260734.db2.gz ZRNUAYCBMQVHPZ-AWEZNQCLSA-N 2 1 234.343 1.866 20 0 BDADMP COc1cccc(C[NH2+]CCn2cc[nH+]c2C)n1 ZINC000276971105 175264954 /nfs/dbraw/zinc/26/49/54/175264954.db2.gz PGQQJZHKQLYTFV-UHFFFAOYSA-N 2 1 246.314 1.385 20 0 BDADMP COc1ccccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300559 175324157 /nfs/dbraw/zinc/32/41/57/175324157.db2.gz MAJBKPRIQKGBGS-UHFFFAOYSA-N 2 1 234.343 1.879 20 0 BDADMP COc1ccccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300559 175324158 /nfs/dbraw/zinc/32/41/58/175324158.db2.gz MAJBKPRIQKGBGS-UHFFFAOYSA-N 2 1 234.343 1.879 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000234875442 175327756 /nfs/dbraw/zinc/32/77/56/175327756.db2.gz KIQGNDWYSZNMKI-CQSZACIVSA-N 2 1 234.343 1.866 20 0 BDADMP C[C@@H](c1ccccc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313383724 176021695 /nfs/dbraw/zinc/02/16/95/176021695.db2.gz JKRVEHOBUXUYHI-JSGCOSHPSA-N 2 1 234.343 1.797 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2CCc3[nH]cnc3C2)C[C@@H](C)O1 ZINC000368091197 176055291 /nfs/dbraw/zinc/05/52/91/176055291.db2.gz VVHLEUKJCHSGQR-GMTAPVOTSA-N 2 1 249.358 1.813 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000357956113 176084848 /nfs/dbraw/zinc/08/48/48/176084848.db2.gz GQDRILFBFXXBIG-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000357956113 176084850 /nfs/dbraw/zinc/08/48/50/176084850.db2.gz GQDRILFBFXXBIG-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000037886726 176144398 /nfs/dbraw/zinc/14/43/98/176144398.db2.gz JDCXRYZXFFMYSI-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1CC[N@@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336363472 176167362 /nfs/dbraw/zinc/16/73/62/176167362.db2.gz DULVOPPJNQKNIZ-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000305118724 176268629 /nfs/dbraw/zinc/26/86/29/176268629.db2.gz GIQLZURUDCBUDA-RQJABVFESA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCCOC1 ZINC000336688418 176268922 /nfs/dbraw/zinc/26/89/22/176268922.db2.gz HFKHBHSQBXIUCL-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCCOC1 ZINC000336688418 176268923 /nfs/dbraw/zinc/26/89/23/176268923.db2.gz HFKHBHSQBXIUCL-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1CCCOC1 ZINC000336688418 176268925 /nfs/dbraw/zinc/26/89/25/176268925.db2.gz HFKHBHSQBXIUCL-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1CCCOC1 ZINC000336688418 176268926 /nfs/dbraw/zinc/26/89/26/176268926.db2.gz HFKHBHSQBXIUCL-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000336773081 176270336 /nfs/dbraw/zinc/27/03/36/176270336.db2.gz YQJYYXSRQUDIQT-GRYCIOLGSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000310581814 176270707 /nfs/dbraw/zinc/27/07/07/176270707.db2.gz RJFSBSJZYGWUBI-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000336677010 176270891 /nfs/dbraw/zinc/27/08/91/176270891.db2.gz BICKYZBRCVMHID-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000356911276 176271092 /nfs/dbraw/zinc/27/10/92/176271092.db2.gz IRILDYYTWSEIKM-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000361881821 176271509 /nfs/dbraw/zinc/27/15/09/176271509.db2.gz WXZISAPZROZEBG-CHWSQXEVSA-N 2 1 248.374 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000353484276 176279890 /nfs/dbraw/zinc/27/98/90/176279890.db2.gz JGKVKPHUXWZPFG-HBJVGIJOSA-N 2 1 240.391 1.323 20 0 BDADMP C[C@@H]1C[NH+](Cc2nc(C(C)(C)[NH3+])no2)C[C@H]1C ZINC000092085540 176312442 /nfs/dbraw/zinc/31/24/42/176312442.db2.gz FWPOCNBMAQHDQF-RKDXNWHRSA-N 2 1 238.335 1.351 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305855741 176341820 /nfs/dbraw/zinc/34/18/20/176341820.db2.gz BMZSLFVOERXFKK-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@@H]1CCCO1 ZINC000126915438 176367822 /nfs/dbraw/zinc/36/78/22/176367822.db2.gz BXRHWIHVIRVCFW-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccccc1 ZINC000132407086 176368180 /nfs/dbraw/zinc/36/81/80/176368180.db2.gz QSOBLXHFWHDKKA-OLZOCXBDSA-N 2 1 234.343 1.735 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCO)CCN1C ZINC000304277522 176371553 /nfs/dbraw/zinc/37/15/53/176371553.db2.gz GHWPWPJTANDPRM-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCCO)CC[N@@H+]1C ZINC000304277522 176371556 /nfs/dbraw/zinc/37/15/56/176371556.db2.gz GHWPWPJTANDPRM-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCCO)CC[N@H+]1C ZINC000304277522 176371558 /nfs/dbraw/zinc/37/15/58/176371558.db2.gz GHWPWPJTANDPRM-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCO)CC[NH+]1C ZINC000304277522 176371560 /nfs/dbraw/zinc/37/15/60/176371560.db2.gz GHWPWPJTANDPRM-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCO)CC[NH+]1C ZINC000304277522 176371562 /nfs/dbraw/zinc/37/15/62/176371562.db2.gz GHWPWPJTANDPRM-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccn(C)c2)CC[N@@H+]1C ZINC000093644199 176371758 /nfs/dbraw/zinc/37/17/58/176371758.db2.gz CRKBSLYNJBDLCU-OCCSQVGLSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccn(C)c2)CC[N@H+]1C ZINC000093644199 176371759 /nfs/dbraw/zinc/37/17/59/176371759.db2.gz CRKBSLYNJBDLCU-OCCSQVGLSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccn(C)c2)CC[NH+]1C ZINC000093644199 176371760 /nfs/dbraw/zinc/37/17/60/176371760.db2.gz CRKBSLYNJBDLCU-OCCSQVGLSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccn(C)c2)CC[NH+]1C ZINC000093644199 176371761 /nfs/dbraw/zinc/37/17/61/176371761.db2.gz CRKBSLYNJBDLCU-OCCSQVGLSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCN2CC=CCC2)CC[N@H+]1C ZINC000359037479 176375638 /nfs/dbraw/zinc/37/56/38/176375638.db2.gz QWEHEYYZKXVQCU-KGLIPLIRSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC2)CC[N@H+]1C ZINC000336728129 176376521 /nfs/dbraw/zinc/37/65/21/176376521.db2.gz CIUYYDMVPBTAFL-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2(C)C)CC[N@@H+]1C ZINC000328384385 176379189 /nfs/dbraw/zinc/37/91/89/176379189.db2.gz LNTYFJYJEYSXEK-GRYCIOLGSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2(C)C)CC[N@H+]1C ZINC000328384385 176379190 /nfs/dbraw/zinc/37/91/90/176379190.db2.gz LNTYFJYJEYSXEK-GRYCIOLGSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCOCC[NH3+] ZINC000357068167 176449343 /nfs/dbraw/zinc/44/93/43/176449343.db2.gz DKMIEJZDGVGLDH-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000336745832 177001160 /nfs/dbraw/zinc/00/11/60/177001160.db2.gz BKCGJVVVRXPLCB-RHYQMDGZSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336745832 177001161 /nfs/dbraw/zinc/00/11/61/177001161.db2.gz BKCGJVVVRXPLCB-RHYQMDGZSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000035693509 177050907 /nfs/dbraw/zinc/05/09/07/177050907.db2.gz VHAOIEBUEBQWHF-GHMZBOCLSA-N 2 1 205.305 1.423 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310120997 177117539 /nfs/dbraw/zinc/11/75/39/177117539.db2.gz VAQUBKVVELAWMZ-MBNYWOFBSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310120997 177117542 /nfs/dbraw/zinc/11/75/42/177117542.db2.gz VAQUBKVVELAWMZ-MBNYWOFBSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310120997 177117544 /nfs/dbraw/zinc/11/75/44/177117544.db2.gz VAQUBKVVELAWMZ-MBNYWOFBSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310120997 177117545 /nfs/dbraw/zinc/11/75/45/177117545.db2.gz VAQUBKVVELAWMZ-MBNYWOFBSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000328157910 177144703 /nfs/dbraw/zinc/14/47/03/177144703.db2.gz HGALIYHYRKALJA-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC[NH3+] ZINC000335566380 177209520 /nfs/dbraw/zinc/20/95/20/177209520.db2.gz SLYGWHIGIYEHFZ-TVQRCGJNSA-N 2 1 222.307 1.997 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccncc1 ZINC000275606628 177234077 /nfs/dbraw/zinc/23/40/77/177234077.db2.gz LEIRKQCZMLRRNA-GXTWGEPZSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccncc1 ZINC000275606628 177234079 /nfs/dbraw/zinc/23/40/79/177234079.db2.gz LEIRKQCZMLRRNA-GXTWGEPZSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000275606628 177234081 /nfs/dbraw/zinc/23/40/81/177234081.db2.gz LEIRKQCZMLRRNA-GXTWGEPZSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000275606628 177234084 /nfs/dbraw/zinc/23/40/84/177234084.db2.gz LEIRKQCZMLRRNA-GXTWGEPZSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000359658689 177234616 /nfs/dbraw/zinc/23/46/16/177234616.db2.gz FBJAMFOJVQVQHN-QWHCGFSZSA-N 2 1 236.363 1.203 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309100724 177234767 /nfs/dbraw/zinc/23/47/67/177234767.db2.gz FOSWSSSKCRLGAS-WCBMZHEXSA-N 2 1 218.291 1.714 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309100724 177234768 /nfs/dbraw/zinc/23/47/68/177234768.db2.gz FOSWSSSKCRLGAS-WCBMZHEXSA-N 2 1 218.291 1.714 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000359075422 177234796 /nfs/dbraw/zinc/23/47/96/177234796.db2.gz ZIBLBICMTMDSFS-UONOGXRCSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045693920 177246541 /nfs/dbraw/zinc/24/65/41/177246541.db2.gz INSFGNFDGDEPKB-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1NCC2 ZINC000336225314 177324466 /nfs/dbraw/zinc/32/44/66/177324466.db2.gz ICOAEKLRCQPGON-RYUDHWBXSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccn(C)c2)CCN1C ZINC000093644200 177327590 /nfs/dbraw/zinc/32/75/90/177327590.db2.gz CRKBSLYNJBDLCU-JSGCOSHPSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccn(C)c2)CC[N@@H+]1C ZINC000093644200 177327595 /nfs/dbraw/zinc/32/75/95/177327595.db2.gz CRKBSLYNJBDLCU-JSGCOSHPSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccn(C)c2)CC[N@H+]1C ZINC000093644200 177327597 /nfs/dbraw/zinc/32/75/97/177327597.db2.gz CRKBSLYNJBDLCU-JSGCOSHPSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccn(C)c2)CC[NH+]1C ZINC000093644200 177327599 /nfs/dbraw/zinc/32/75/99/177327599.db2.gz CRKBSLYNJBDLCU-JSGCOSHPSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccn(C)c2)CC[NH+]1C ZINC000093644200 177327601 /nfs/dbraw/zinc/32/76/01/177327601.db2.gz CRKBSLYNJBDLCU-JSGCOSHPSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CC2(C)COC2)CC[N@@H+]1C ZINC000336694965 177327784 /nfs/dbraw/zinc/32/77/84/177327784.db2.gz FLJZKTZBSCMZAK-RYUDHWBXSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CC2(C)COC2)CC[N@H+]1C ZINC000336694965 177327786 /nfs/dbraw/zinc/32/77/86/177327786.db2.gz FLJZKTZBSCMZAK-RYUDHWBXSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CC2(C)COC2)CC[NH+]1C ZINC000336694965 177327788 /nfs/dbraw/zinc/32/77/88/177327788.db2.gz FLJZKTZBSCMZAK-RYUDHWBXSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CC2(C)COC2)CC[NH+]1C ZINC000336694965 177327790 /nfs/dbraw/zinc/32/77/90/177327790.db2.gz FLJZKTZBSCMZAK-RYUDHWBXSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000111155340 177331312 /nfs/dbraw/zinc/33/13/12/177331312.db2.gz YVAVALSXUFZZIM-MBNYWOFBSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2cnccn2)CC[N@H+]1C ZINC000341883022 177370632 /nfs/dbraw/zinc/37/06/32/177370632.db2.gz TZKJPRVMKUMOMR-NWDGAFQWSA-N 2 1 234.347 1.091 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCSCCCO)CC[N@H+]1C ZINC000151180227 177370740 /nfs/dbraw/zinc/37/07/40/177370740.db2.gz ZDAVWRCUUHIYIW-NWDGAFQWSA-N 2 1 246.420 1.174 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400335729 225014750 /nfs/dbraw/zinc/01/47/50/225014750.db2.gz FVYYRWODYILGLA-UKJIMTQDSA-N 2 1 226.364 1.530 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494223721 226262495 /nfs/dbraw/zinc/26/24/95/226262495.db2.gz OHKALHSBJOLPTA-AAEUAGOBSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(C)CCO[C@H]1C ZINC000494223723 226262514 /nfs/dbraw/zinc/26/25/14/226262514.db2.gz OHKALHSBJOLPTA-WCQYABFASA-N 2 1 237.347 1.739 20 0 BDADMP C[C@H]([NH2+]CCCc1nccs1)[C@@H]1CCC[NH2+]1 ZINC000400318885 226340314 /nfs/dbraw/zinc/34/03/14/226340314.db2.gz AKMDZKXJVMKCJY-QWRGUYRKSA-N 2 1 239.388 1.806 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400328850 226340915 /nfs/dbraw/zinc/34/09/15/226340915.db2.gz BFBZNVQDVJFTDB-QJPTWQEYSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H](NCCCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000400360838 226341563 /nfs/dbraw/zinc/34/15/63/226341563.db2.gz DARINEFCCJOTEL-NEPJUHHUSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCC[NH2+]1 ZINC000400565257 226346746 /nfs/dbraw/zinc/34/67/46/226346746.db2.gz MEVPMTOIXARXTF-RISCZKNCSA-N 2 1 234.343 1.665 20 0 BDADMP c1ccc(OCCCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000507369129 226368637 /nfs/dbraw/zinc/36/86/37/226368637.db2.gz RNXHIAOTGLOQBX-CYBMUJFWSA-N 2 1 234.343 1.797 20 0 BDADMP CC[C@@H]([NH2+]CCc1cncn1C)[C@@H]1CCC[NH2+]1 ZINC000568381396 322935008 /nfs/dbraw/zinc/93/50/08/322935008.db2.gz GNAZDRUYJJIQFM-OLZOCXBDSA-N 2 1 236.363 1.083 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000383738628 487669720 /nfs/dbraw/zinc/66/97/20/487669720.db2.gz HYZNATPGPKKLJU-MFKMUULPSA-N 2 1 236.363 1.070 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383756121 487670818 /nfs/dbraw/zinc/67/08/18/487670818.db2.gz KPTIDDAUEIVKHL-KGLIPLIRSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000383756121 487670824 /nfs/dbraw/zinc/67/08/24/487670824.db2.gz KPTIDDAUEIVKHL-KGLIPLIRSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383756121 487670831 /nfs/dbraw/zinc/67/08/31/487670831.db2.gz KPTIDDAUEIVKHL-KGLIPLIRSA-N 2 1 242.407 1.665 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313349744 487684696 /nfs/dbraw/zinc/68/46/96/487684696.db2.gz IWNHWTCSBALAAY-DGCLKSJQSA-N 2 1 235.331 1.192 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313349744 487684699 /nfs/dbraw/zinc/68/46/99/487684699.db2.gz IWNHWTCSBALAAY-DGCLKSJQSA-N 2 1 235.331 1.192 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H]2CN)C1 ZINC001172592682 974880000 /nfs/dbraw/zinc/88/00/00/974880000.db2.gz JSXZIHJWAMCNJO-UTUOFQBUSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H]2CN)C1 ZINC001172592682 974880009 /nfs/dbraw/zinc/88/00/09/974880009.db2.gz JSXZIHJWAMCNJO-UTUOFQBUSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])C1 ZINC001172592682 974880015 /nfs/dbraw/zinc/88/00/15/974880015.db2.gz JSXZIHJWAMCNJO-UTUOFQBUSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H]2C[NH3+])C1 ZINC001172592682 974880023 /nfs/dbraw/zinc/88/00/23/974880023.db2.gz JSXZIHJWAMCNJO-UTUOFQBUSA-N 2 1 240.347 1.141 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(CO)CCCCC1 ZINC000678972626 487715043 /nfs/dbraw/zinc/71/50/43/487715043.db2.gz OETRZCXXOYWDSC-CYBMUJFWSA-N 2 1 240.391 1.756 20 0 BDADMP Fc1ccccc1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000681111990 487730214 /nfs/dbraw/zinc/73/02/14/487730214.db2.gz QSVBBQCXNXTCHV-CHWSQXEVSA-N 2 1 234.318 1.519 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccc(C)nc2)CC[C@@H]1[NH3+] ZINC000228859749 487738976 /nfs/dbraw/zinc/73/89/76/487738976.db2.gz LFSVWGWNQZYWCC-KBPBESRZSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(C)nc2)CC[C@@H]1[NH3+] ZINC000228859749 487738983 /nfs/dbraw/zinc/73/89/83/487738983.db2.gz LFSVWGWNQZYWCC-KBPBESRZSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414949419 487773591 /nfs/dbraw/zinc/77/35/91/487773591.db2.gz ZMEGKOBQIWXSPT-NSHDSACASA-N 2 1 234.343 1.912 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1(C)C ZINC000300625784 487787585 /nfs/dbraw/zinc/78/75/85/487787585.db2.gz FQTGZIPVFXACNX-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000251676236 487788900 /nfs/dbraw/zinc/78/89/00/487788900.db2.gz OZEKCYFLCXXNNV-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCOC2)C1 ZINC000459742397 487793354 /nfs/dbraw/zinc/79/33/54/487793354.db2.gz WDJVTHZIOPJMHZ-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302634 487800220 /nfs/dbraw/zinc/80/02/20/487800220.db2.gz PNFIHLNQHSXBOC-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156058786 487809374 /nfs/dbraw/zinc/80/93/74/487809374.db2.gz QNPCSHOMKHONFJ-HZSPNIEDSA-N 2 1 240.391 1.610 20 0 BDADMP COCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@H](C)C1 ZINC000414752510 487822370 /nfs/dbraw/zinc/82/23/70/487822370.db2.gz KXMDRLQLZPTDEV-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1[nH+]cc(CN(C)CCC[NH+](C)C)n1C ZINC000668156644 487855016 /nfs/dbraw/zinc/85/50/16/487855016.db2.gz XBSIPIAWCHTQNR-UHFFFAOYSA-N 2 1 224.352 1.112 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000234704548 487862097 /nfs/dbraw/zinc/86/20/97/487862097.db2.gz OAGRMNYCUIQDQG-GHMZBOCLSA-N 2 1 200.326 1.001 20 0 BDADMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCOC1 ZINC000681928662 487870368 /nfs/dbraw/zinc/87/03/68/487870368.db2.gz RGXCMOOPCHTDNT-QWHCGFSZSA-N 2 1 249.358 1.556 20 0 BDADMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCOC1 ZINC000681928662 487870371 /nfs/dbraw/zinc/87/03/71/487870371.db2.gz RGXCMOOPCHTDNT-QWHCGFSZSA-N 2 1 249.358 1.556 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403790133 487888096 /nfs/dbraw/zinc/88/80/96/487888096.db2.gz YDYSLBONFGAKMB-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403790133 487888101 /nfs/dbraw/zinc/88/81/01/487888101.db2.gz YDYSLBONFGAKMB-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC1([NH2+]Cc2cnc3ccccn23)CC[NH2+]CC1 ZINC000666881389 487896109 /nfs/dbraw/zinc/89/61/09/487896109.db2.gz IGQGHTXSWQVRNA-UHFFFAOYSA-N 2 1 244.342 1.566 20 0 BDADMP Cc1nccc(N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000672324893 487935141 /nfs/dbraw/zinc/93/51/41/487935141.db2.gz QYPWYDSTEAWSHV-SNVBAGLBSA-N 2 1 229.287 1.408 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000235347630 487944478 /nfs/dbraw/zinc/94/44/78/487944478.db2.gz JQVNWBDCISTCRL-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP CC[NH+](CC)CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128184490 323006405 /nfs/dbraw/zinc/00/64/05/323006405.db2.gz MXMFYHINECXIKU-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP Cc1cccc2ncc(C[N@H+](C)CCC[NH3+])n21 ZINC000566855817 323019580 /nfs/dbraw/zinc/01/95/80/323019580.db2.gz OAXJJSWPGSXJBF-UHFFFAOYSA-N 2 1 232.331 1.423 20 0 BDADMP Cc1cccc2ncc(C[N@@H+](C)CCC[NH3+])n21 ZINC000566855817 323019581 /nfs/dbraw/zinc/01/95/81/323019581.db2.gz OAXJJSWPGSXJBF-UHFFFAOYSA-N 2 1 232.331 1.423 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000569658368 323035792 /nfs/dbraw/zinc/03/57/92/323035792.db2.gz CEKJLMPJZFVHQD-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CC1(F)CC1)CC[NH2+]CC2 ZINC000570442808 323059492 /nfs/dbraw/zinc/05/94/92/323059492.db2.gz RCDFIVCANHEAAM-LLVKDONJSA-N 2 1 226.339 1.953 20 0 BDADMP c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cs1 ZINC000063147407 323113848 /nfs/dbraw/zinc/11/38/48/323113848.db2.gz IAEZHWOPUJESKR-LLVKDONJSA-N 2 1 210.346 1.980 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccncc1 ZINC000401765515 323120171 /nfs/dbraw/zinc/12/01/71/323120171.db2.gz YCVSFUKVYONDDS-NSHDSACASA-N 2 1 230.315 1.708 20 0 BDADMP COC[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000309973377 323122892 /nfs/dbraw/zinc/12/28/92/323122892.db2.gz QWMUJYNJZMMKAP-GFCCVEGCSA-N 2 1 225.336 1.223 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](COC)c1ccccc1 ZINC000563616481 323131541 /nfs/dbraw/zinc/13/15/41/323131541.db2.gz UJCLALHDDRIYBR-CQSZACIVSA-N 2 1 236.359 1.963 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000571111890 323135930 /nfs/dbraw/zinc/13/59/30/323135930.db2.gz CJGNMHZXBHFLGY-MEBFFEOJSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H](CN)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414924592 323152118 /nfs/dbraw/zinc/15/21/18/323152118.db2.gz GYBGMZPNOITHJT-LLVKDONJSA-N 2 1 230.315 1.309 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414924592 323152119 /nfs/dbraw/zinc/15/21/19/323152119.db2.gz GYBGMZPNOITHJT-LLVKDONJSA-N 2 1 230.315 1.309 20 0 BDADMP COC(=O)CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397263373 323152481 /nfs/dbraw/zinc/15/24/81/323152481.db2.gz IECPHKZERVVSHC-SRVKXCTJSA-N 2 1 242.363 1.245 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000563729601 323176295 /nfs/dbraw/zinc/17/62/95/323176295.db2.gz FGQBEUZOYCBNNL-MNOVXSKESA-N 2 1 236.363 1.633 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000070624299 323205181 /nfs/dbraw/zinc/20/51/81/323205181.db2.gz NTQYTSJNOFSZNF-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000070624300 323205219 /nfs/dbraw/zinc/20/52/19/323205219.db2.gz NTQYTSJNOFSZNF-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000565156155 323324155 /nfs/dbraw/zinc/32/41/55/323324155.db2.gz HMNCKOPSASUIBX-JHJVBQTASA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000309253539 323332674 /nfs/dbraw/zinc/33/26/74/323332674.db2.gz NRQDEHOMIAYHDP-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCOCC1 ZINC000161525730 323540741 /nfs/dbraw/zinc/54/07/41/323540741.db2.gz CRJZRKWFQWSKFP-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000528005498 323746162 /nfs/dbraw/zinc/74/61/62/323746162.db2.gz SYWTXKATXSYESK-OPDFLTKYSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000130738916 325083237 /nfs/dbraw/zinc/08/32/37/325083237.db2.gz CFTNRZBZVWYNCJ-JHJVBQTASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000130738916 325083240 /nfs/dbraw/zinc/08/32/40/325083240.db2.gz CFTNRZBZVWYNCJ-JHJVBQTASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000130738916 325083241 /nfs/dbraw/zinc/08/32/41/325083241.db2.gz CFTNRZBZVWYNCJ-JHJVBQTASA-N 2 1 239.407 1.541 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCO)C1 ZINC000076003634 325325544 /nfs/dbraw/zinc/32/55/44/325325544.db2.gz FMLVVPCEDBHRAH-LBPRGKRZSA-N 2 1 214.353 1.033 20 0 BDADMP CC[C@H](C)[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000309448618 487967422 /nfs/dbraw/zinc/96/74/22/487967422.db2.gz PNZVWCJPLVHTMC-WCQYABFASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000309448618 487967426 /nfs/dbraw/zinc/96/74/26/487967426.db2.gz PNZVWCJPLVHTMC-WCQYABFASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309448618 487967428 /nfs/dbraw/zinc/96/74/28/487967428.db2.gz PNZVWCJPLVHTMC-WCQYABFASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309448618 487967433 /nfs/dbraw/zinc/96/74/33/487967433.db2.gz PNZVWCJPLVHTMC-WCQYABFASA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]([NH2+][C@H]1CC12CC2)c1c[nH+]ccc1N ZINC000564651028 325799110 /nfs/dbraw/zinc/79/91/10/325799110.db2.gz LFSWFTDBKBJBOD-KWQFWETISA-N 2 1 203.289 1.697 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)C[C@@H](C)OC ZINC000566425804 326044603 /nfs/dbraw/zinc/04/46/03/326044603.db2.gz YVFJFYYWWRNRSW-GFCCVEGCSA-N 2 1 239.363 1.710 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)C[C@@H](C)OC ZINC000566425804 326044604 /nfs/dbraw/zinc/04/46/04/326044604.db2.gz YVFJFYYWWRNRSW-GFCCVEGCSA-N 2 1 239.363 1.710 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566738678 326078387 /nfs/dbraw/zinc/07/83/87/326078387.db2.gz GZHQZYLKHGYFCZ-RHYQMDGZSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1(O)CCC1 ZINC000567678311 326244011 /nfs/dbraw/zinc/24/40/11/326244011.db2.gz PNEFLJWXXCPSOV-LLVKDONJSA-N 2 1 237.347 1.332 20 0 BDADMP Cc1nccn1CCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568162145 326316749 /nfs/dbraw/zinc/31/67/49/326316749.db2.gz PBRBKWNMMBKRFE-DGCLKSJQSA-N 2 1 236.363 1.393 20 0 BDADMP CCc1cc(NCC[N@@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000568474223 326358467 /nfs/dbraw/zinc/35/84/67/326358467.db2.gz UOHZOWNVEGUXFY-GFCCVEGCSA-N 2 1 249.358 1.199 20 0 BDADMP CCc1cc(NCC[N@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000568474223 326358469 /nfs/dbraw/zinc/35/84/69/326358469.db2.gz UOHZOWNVEGUXFY-GFCCVEGCSA-N 2 1 249.358 1.199 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)on1 ZINC000568499281 326359790 /nfs/dbraw/zinc/35/97/90/326359790.db2.gz CYFWGUWRTBDCMO-GXFFZTMASA-N 2 1 237.347 1.715 20 0 BDADMP Cn1cc(C[N@@H+](C)CCCc2cncn2C)cn1 ZINC000568527568 326363136 /nfs/dbraw/zinc/36/31/36/326363136.db2.gz SZJCJXYVDJDALT-UHFFFAOYSA-N 2 1 247.346 1.218 20 0 BDADMP Cn1cc(C[N@@H+](C)CCCc2c[nH+]cn2C)cn1 ZINC000568527568 326363143 /nfs/dbraw/zinc/36/31/43/326363143.db2.gz SZJCJXYVDJDALT-UHFFFAOYSA-N 2 1 247.346 1.218 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)C)C1 ZINC000568649547 326369343 /nfs/dbraw/zinc/36/93/43/326369343.db2.gz MPBIDPHNJBGXRA-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000568649547 326369344 /nfs/dbraw/zinc/36/93/44/326369344.db2.gz MPBIDPHNJBGXRA-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000568649547 326369345 /nfs/dbraw/zinc/36/93/45/326369345.db2.gz MPBIDPHNJBGXRA-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309620213 487995472 /nfs/dbraw/zinc/99/54/72/487995472.db2.gz DZGFZTZYAJLATM-JTQLQIEISA-N 2 1 225.336 1.366 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOC(C)C)CC[C@@H]1[NH3+] ZINC000147411197 488014857 /nfs/dbraw/zinc/01/48/57/488014857.db2.gz GEUNXQUJZSVHMC-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000165541725 488016952 /nfs/dbraw/zinc/01/69/52/488016952.db2.gz PXCFBBYAEWFYLY-UHFFFAOYSA-N 2 1 227.396 1.260 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000045706804 488026578 /nfs/dbraw/zinc/02/65/78/488026578.db2.gz NTVNTMFXQSKBCA-MXWKQRLJSA-N 2 1 200.326 1.081 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000663510201 488055401 /nfs/dbraw/zinc/05/54/01/488055401.db2.gz CRAQNDPFPLYBFB-RISCZKNCSA-N 2 1 218.344 1.741 20 0 BDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667648928 488071408 /nfs/dbraw/zinc/07/14/08/488071408.db2.gz DSUROMRABKFQQH-VXGBXAGGSA-N 2 1 249.358 1.565 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667648927 488071697 /nfs/dbraw/zinc/07/16/97/488071697.db2.gz DSUROMRABKFQQH-RYUDHWBXSA-N 2 1 249.358 1.565 20 0 BDADMP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000257664259 488077994 /nfs/dbraw/zinc/07/79/94/488077994.db2.gz WVKUNOWUSUAVRI-MNOVXSKESA-N 2 1 220.320 1.775 20 0 BDADMP Cc1ncc(C[N@@H+](C)CCC2CC2)n1C ZINC000667708375 488096465 /nfs/dbraw/zinc/09/64/65/488096465.db2.gz AICVIUDLPMHIBE-UHFFFAOYSA-N 2 1 207.321 1.960 20 0 BDADMP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000402844347 488104131 /nfs/dbraw/zinc/10/41/31/488104131.db2.gz PYHIVCZISGXSMR-STQMWFEESA-N 2 1 248.374 1.400 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000389651478 488104673 /nfs/dbraw/zinc/10/46/73/488104673.db2.gz WFYPXBLQJNHARJ-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000323803434 488105349 /nfs/dbraw/zinc/10/53/49/488105349.db2.gz HCWJLQHBQSMWHG-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCCO1 ZINC000403325587 488121387 /nfs/dbraw/zinc/12/13/87/488121387.db2.gz BSBPAAJTVJKNOL-XJFOESAGSA-N 2 1 238.375 1.472 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C2([C@@H](C)O)CC2)CC1 ZINC000668700342 488133864 /nfs/dbraw/zinc/13/38/64/488133864.db2.gz SYSHIRUZBNKWDK-LLVKDONJSA-N 2 1 226.364 1.362 20 0 BDADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2(C)CC2)CCO1 ZINC000668785834 487531665 /nfs/dbraw/zinc/53/16/65/487531665.db2.gz YYKNCRCUNXFINU-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1occc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000321475909 488140620 /nfs/dbraw/zinc/14/06/20/488140620.db2.gz DRPRRUVZNJEVBT-VXGBXAGGSA-N 2 1 206.289 1.239 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C2CCC1CC2 ZINC000399415435 487484748 /nfs/dbraw/zinc/48/47/48/487484748.db2.gz SHQPEMGBDGJEGX-BPCQOVAHSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C2CCC1CC2 ZINC000399415435 487484752 /nfs/dbraw/zinc/48/47/52/487484752.db2.gz SHQPEMGBDGJEGX-BPCQOVAHSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)(CC[N@@H+]1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000406062274 487498619 /nfs/dbraw/zinc/49/86/19/487498619.db2.gz NCRYCLWXAINLAW-LBPRGKRZSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)(CC[N@H+]1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000406062274 487498624 /nfs/dbraw/zinc/49/86/24/487498624.db2.gz NCRYCLWXAINLAW-LBPRGKRZSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000381070534 487495374 /nfs/dbraw/zinc/49/53/74/487495374.db2.gz ODOVMOSXVAJKIG-STQMWFEESA-N 2 1 230.396 1.665 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000381070534 487495380 /nfs/dbraw/zinc/49/53/80/487495380.db2.gz ODOVMOSXVAJKIG-STQMWFEESA-N 2 1 230.396 1.665 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000381070534 487495382 /nfs/dbraw/zinc/49/53/82/487495382.db2.gz ODOVMOSXVAJKIG-STQMWFEESA-N 2 1 230.396 1.665 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381370844 487506889 /nfs/dbraw/zinc/50/68/89/487506889.db2.gz MNILRGINJXZEPF-GJZGRUSLSA-N 2 1 245.370 1.951 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000662271745 487518315 /nfs/dbraw/zinc/51/83/15/487518315.db2.gz ISJAJKYTCUGDNY-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCC[NH3+] ZINC000020419990 487574650 /nfs/dbraw/zinc/57/46/50/487574650.db2.gz DENDJDSAMGDSAF-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CCC[NH3+] ZINC000020419990 487574652 /nfs/dbraw/zinc/57/46/52/487574652.db2.gz DENDJDSAMGDSAF-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000251879942 487752893 /nfs/dbraw/zinc/75/28/93/487752893.db2.gz VDFJSUUYPJRFCB-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000234016266 487757161 /nfs/dbraw/zinc/75/71/61/487757161.db2.gz NGRWOYMINHKMJF-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP Oc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682407353 487950033 /nfs/dbraw/zinc/95/00/33/487950033.db2.gz TYLBNMNDRUZKOC-LBPRGKRZSA-N 2 1 243.310 1.693 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000235413560 487953724 /nfs/dbraw/zinc/95/37/24/487953724.db2.gz XNKPZHFVVMPKKH-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP Cc1[nH+]cc(CN2CCC[C@@H]([NH+](C)C)C2)n1C ZINC000667584889 488052758 /nfs/dbraw/zinc/05/27/58/488052758.db2.gz JTZBTJNAJSYPOC-GFCCVEGCSA-N 2 1 236.363 1.255 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000093210221 488139498 /nfs/dbraw/zinc/13/94/98/488139498.db2.gz BWMSSJYTMXYMHS-KBPBESRZSA-N 3 1 239.407 1.722 20 0 BDADMP C[N@@H+](CCC1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000258861330 488140199 /nfs/dbraw/zinc/14/01/99/488140199.db2.gz ISVKKELTORIROK-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP CCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000379536636 488141965 /nfs/dbraw/zinc/14/19/65/488141965.db2.gz LVKKRXGOLSZLDN-LLVKDONJSA-N 2 1 202.342 1.029 20 0 BDADMP CCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000379536636 488141970 /nfs/dbraw/zinc/14/19/70/488141970.db2.gz LVKKRXGOLSZLDN-LLVKDONJSA-N 2 1 202.342 1.029 20 0 BDADMP CCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000379536636 488141974 /nfs/dbraw/zinc/14/19/74/488141974.db2.gz LVKKRXGOLSZLDN-LLVKDONJSA-N 2 1 202.342 1.029 20 0 BDADMP c1nc2n(c1C[N@H+]1CC[C@H]3COC[C@@H]3C1)CCC2 ZINC000668705929 488145377 /nfs/dbraw/zinc/14/53/77/488145377.db2.gz OLRZQOAJYGRXJC-RYUDHWBXSA-N 2 1 247.342 1.298 20 0 BDADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CC2)CC[N@H+]1C ZINC000397780386 488149012 /nfs/dbraw/zinc/14/90/12/488149012.db2.gz ORKLILSFYLHUBB-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CC[N@@H+]1C ZINC000397780386 488149017 /nfs/dbraw/zinc/14/90/17/488149017.db2.gz ORKLILSFYLHUBB-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CC[N@H+]1C ZINC000397780386 488149022 /nfs/dbraw/zinc/14/90/22/488149022.db2.gz ORKLILSFYLHUBB-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230745401 488150485 /nfs/dbraw/zinc/15/04/85/488150485.db2.gz YUFSOXGFYOSGNG-NWDGAFQWSA-N 2 1 236.363 1.022 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000379920922 488158671 /nfs/dbraw/zinc/15/86/71/488158671.db2.gz QNWCNNYQSVTZPF-MCIONIFRSA-N 2 1 242.407 1.950 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)C[C@@H]1CCOC1 ZINC000677981043 488167800 /nfs/dbraw/zinc/16/78/00/488167800.db2.gz RXIJHEMUMJICRP-ZDUSSCGKSA-N 2 1 237.347 1.550 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)C[C@@H]1CCOC1 ZINC000677981043 488167804 /nfs/dbraw/zinc/16/78/04/488167804.db2.gz RXIJHEMUMJICRP-ZDUSSCGKSA-N 2 1 237.347 1.550 20 0 BDADMP CN(C)c1nc(NC[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000085432091 488171363 /nfs/dbraw/zinc/17/13/63/488171363.db2.gz FKEODPHWZQHDGZ-JTQLQIEISA-N 2 1 235.335 1.097 20 0 BDADMP CCOC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000040690201 488176537 /nfs/dbraw/zinc/17/65/37/488176537.db2.gz RQEMAUSQJHBNEA-GFCCVEGCSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCOC1)C1CC1 ZINC000453397370 488190594 /nfs/dbraw/zinc/19/05/94/488190594.db2.gz JHHPMBVJUZDZQW-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740867 488193597 /nfs/dbraw/zinc/19/35/97/488193597.db2.gz XWLZABWWCNOEGI-MBNYWOFBSA-N 2 1 238.375 1.173 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000398746082 488223298 /nfs/dbraw/zinc/22/32/98/488223298.db2.gz YSLQEQQKIVJKRA-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CNCCO1 ZINC000399148515 488227467 /nfs/dbraw/zinc/22/74/67/488227467.db2.gz GFFCKFGKZRTEOE-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP F[C@@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000668213926 488228022 /nfs/dbraw/zinc/22/80/22/488228022.db2.gz PWVNFIIEDPXUIB-LLVKDONJSA-N 2 1 246.289 1.811 20 0 BDADMP CO[C@H](C)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000679851532 488368827 /nfs/dbraw/zinc/36/88/27/488368827.db2.gz SBDMNYUAYUJXQE-NEPJUHHUSA-N 2 1 223.320 1.555 20 0 BDADMP CC[C@H](CC(F)F)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659851306 490093344 /nfs/dbraw/zinc/09/33/44/490093344.db2.gz YPHSSMYOJJSZOB-MXWKQRLJSA-N 2 1 232.318 1.819 20 0 BDADMP C[C@@H]1CN(CCCc2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000314622117 490092135 /nfs/dbraw/zinc/09/21/35/490092135.db2.gz BRSKQAFDHVTPDV-TXEJJXNPSA-N 2 1 236.363 1.035 20 0 BDADMP FCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128109533 490571373 /nfs/dbraw/zinc/57/13/73/490571373.db2.gz SICZQRYUZCWIGT-MNOVXSKESA-N 2 1 200.301 1.562 20 0 BDADMP CC(C)(CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128086162 490571554 /nfs/dbraw/zinc/57/15/54/490571554.db2.gz FHJANRABLLOVGM-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000387967042 491058604 /nfs/dbraw/zinc/05/86/04/491058604.db2.gz FEGQKIBHYAJQLM-RNJOBUHISA-N 2 1 210.365 1.962 20 0 BDADMP C[N@@H+](CCC[NH3+])CCc1noc2ccccc21 ZINC000655937910 491098865 /nfs/dbraw/zinc/09/88/65/491098865.db2.gz IBLJIXRSLPRKHU-UHFFFAOYSA-N 2 1 233.315 1.651 20 0 BDADMP CN(Cc1cncnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000122714354 491115665 /nfs/dbraw/zinc/11/56/65/491115665.db2.gz QRFOWRPXFBMEFJ-LBPRGKRZSA-N 2 1 234.347 1.250 20 0 BDADMP CCc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc(C)[nH+]1 ZINC000090323097 491124367 /nfs/dbraw/zinc/12/43/67/491124367.db2.gz ILFCKIARZMRQOK-PHIMTYICSA-N 2 1 232.331 1.003 20 0 BDADMP CCc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc(C)[nH+]1 ZINC000090323099 491124373 /nfs/dbraw/zinc/12/43/73/491124373.db2.gz ILFCKIARZMRQOK-QWRGUYRKSA-N 2 1 232.331 1.003 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(O)cc1 ZINC000228413629 491132271 /nfs/dbraw/zinc/13/22/71/491132271.db2.gz HCJWQTQTLDBIAP-UHFFFAOYSA-N 2 1 231.299 1.687 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(C[NH3+])CC2)CC1 ZINC001172777979 974939955 /nfs/dbraw/zinc/93/99/55/974939955.db2.gz DFPKNIJTISIKBA-MNOVXSKESA-N 2 1 240.347 1.189 20 0 BDADMP C[C@H](NCCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400744811 533842961 /nfs/dbraw/zinc/84/29/61/533842961.db2.gz UHDOIBFJXULVMU-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCC[NH2+]1 ZINC000400565255 533870193 /nfs/dbraw/zinc/87/01/93/533870193.db2.gz MEVPMTOIXARXTF-FZMZJTMJSA-N 2 1 234.343 1.665 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]1 ZINC000400350550 533886802 /nfs/dbraw/zinc/88/68/02/533886802.db2.gz JVWYGNSAJIBQFM-FPMFFAJLSA-N 2 1 246.354 1.720 20 0 BDADMP CCOCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000169239280 535628074 /nfs/dbraw/zinc/62/80/74/535628074.db2.gz BMYCLBGATCPPJK-OLZOCXBDSA-N 2 1 220.316 1.757 20 0 BDADMP CCc1nc(N2CC[C@H](C)[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261591825 536124697 /nfs/dbraw/zinc/12/46/97/536124697.db2.gz YBRSOWLEEOTBCC-CMPLNLGQSA-N 2 1 248.374 1.769 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000400068846 534733920 /nfs/dbraw/zinc/73/39/20/534733920.db2.gz SVGUYGMCDXEEBX-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261530291 536451641 /nfs/dbraw/zinc/45/16/41/536451641.db2.gz CGAIQBLTQDXZFI-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000261764502 536463830 /nfs/dbraw/zinc/46/38/30/536463830.db2.gz DHBAUXDNQUSIQM-MCIONIFRSA-N 2 1 237.391 1.012 20 0 BDADMP CN1CC[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000261764502 536463834 /nfs/dbraw/zinc/46/38/34/536463834.db2.gz DHBAUXDNQUSIQM-MCIONIFRSA-N 2 1 237.391 1.012 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000261764502 536463836 /nfs/dbraw/zinc/46/38/36/536463836.db2.gz DHBAUXDNQUSIQM-MCIONIFRSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000348318513 536481519 /nfs/dbraw/zinc/48/15/19/536481519.db2.gz XWYBJCREZPIZOX-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000348318513 536481520 /nfs/dbraw/zinc/48/15/20/536481520.db2.gz XWYBJCREZPIZOX-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCOC1 ZINC000400624642 527483104 /nfs/dbraw/zinc/48/31/04/527483104.db2.gz NCRHGMZOTRMCQF-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400721416 528513179 /nfs/dbraw/zinc/51/31/79/528513179.db2.gz OPQZJLAHFPCJKX-AAEUAGOBSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000400363631 529248622 /nfs/dbraw/zinc/24/86/22/529248622.db2.gz DAQJVEJBKFFXER-CYDGBPFRSA-N 2 1 228.380 1.778 20 0 BDADMP CC(C)[N@H+](CC(F)F)CC1CC[NH2+]CC1 ZINC000086703654 535044451 /nfs/dbraw/zinc/04/44/51/535044451.db2.gz CVQMQCIKYRUYBP-UHFFFAOYSA-N 2 1 220.307 1.962 20 0 BDADMP CC(C)[N@@H+](CC(F)F)CC1CC[NH2+]CC1 ZINC000086703654 535044457 /nfs/dbraw/zinc/04/44/57/535044457.db2.gz CVQMQCIKYRUYBP-UHFFFAOYSA-N 2 1 220.307 1.962 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631300 535079225 /nfs/dbraw/zinc/07/92/25/535079225.db2.gz ABHMXALCWMQVBN-CHWSQXEVSA-N 2 1 210.365 1.964 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261581746 535177475 /nfs/dbraw/zinc/17/74/75/535177475.db2.gz NWCJIWQYEZSGSL-QWHCGFSZSA-N 2 1 226.364 1.200 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000227009433 535181362 /nfs/dbraw/zinc/18/13/62/535181362.db2.gz UZRAMLJYSGQYOL-ZIAGYGMSSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715680 535285208 /nfs/dbraw/zinc/28/52/08/535285208.db2.gz WJSBJMMLUQHNHA-JHJVBQTASA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1cccnc1 ZINC000261580331 535308125 /nfs/dbraw/zinc/30/81/25/535308125.db2.gz MZFDXIDCMFCBPH-CYBMUJFWSA-N 2 1 221.348 1.587 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CCOC1 ZINC000166301755 535804449 /nfs/dbraw/zinc/80/44/49/535804449.db2.gz GHOORAZAQHVHSO-MCIONIFRSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000252541163 535913935 /nfs/dbraw/zinc/91/39/35/535913935.db2.gz DKUVEQLLGKRZQL-IHRRRGAJSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000252541163 535913944 /nfs/dbraw/zinc/91/39/44/535913944.db2.gz DKUVEQLLGKRZQL-IHRRRGAJSA-N 2 1 240.391 1.874 20 0 BDADMP CCc1nc(N2CC[C@H]([NH3+])[C@H](C)C2)cc(C)[nH+]1 ZINC000261549566 536125153 /nfs/dbraw/zinc/12/51/53/536125153.db2.gz KQGSVTODLMNYJI-KOLCDFICSA-N 2 1 234.347 1.521 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000261792181 536136821 /nfs/dbraw/zinc/13/68/21/536136821.db2.gz GFADQDBZCJSNJT-AWEZNQCLSA-N 3 1 239.407 1.402 20 0 BDADMP C[N@@H+](CCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000258773046 536322296 /nfs/dbraw/zinc/32/22/96/536322296.db2.gz BCVNVAAXGHYJBC-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP C[N@@H+](CCC1CCOCC1)CC(C)(C)[NH3+] ZINC000258928141 536326166 /nfs/dbraw/zinc/32/61/66/536326166.db2.gz VAYOTEFDXAKVCR-UHFFFAOYSA-N 2 1 214.353 1.472 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000335219724 536344320 /nfs/dbraw/zinc/34/43/20/536344320.db2.gz NDZMZHRKBCYIOK-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCNC1=[NH+]CCCN1)C1CCCCC1 ZINC000261749548 536387243 /nfs/dbraw/zinc/38/72/43/536387243.db2.gz JQHSPPIAERGQIN-UHFFFAOYSA-N 2 1 238.379 1.190 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@H](C(C)C)[NH+](C)C)n1 ZINC000261871484 536405888 /nfs/dbraw/zinc/40/58/88/536405888.db2.gz VGNJDCWJWHWQPA-KOLCDFICSA-N 2 1 240.351 1.479 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000179243447 536708164 /nfs/dbraw/zinc/70/81/64/536708164.db2.gz QCGBXINCNJPCQU-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000179243447 536708168 /nfs/dbraw/zinc/70/81/68/536708168.db2.gz QCGBXINCNJPCQU-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000179243447 536708171 /nfs/dbraw/zinc/70/81/71/536708171.db2.gz QCGBXINCNJPCQU-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)C[N@@H+](C)CCCNCc1ncc[nH]1 ZINC000651866632 583147311 /nfs/dbraw/zinc/14/73/11/583147311.db2.gz LEKJOOLVADVTPZ-UHFFFAOYSA-N 2 1 224.352 1.477 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccccn1 ZINC000853097920 588719558 /nfs/dbraw/zinc/71/95/58/588719558.db2.gz DFNVWSOSTOTJFH-AAEUAGOBSA-N 2 1 237.347 1.045 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC000853096784 588719697 /nfs/dbraw/zinc/71/96/97/588719697.db2.gz MBPZPNWEIDPUKC-AWEZNQCLSA-N 2 1 249.358 1.189 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000853248333 588729139 /nfs/dbraw/zinc/72/91/39/588729139.db2.gz DEYTWJZQQJALOZ-ZRUFSTJUSA-N 2 1 246.445 1.564 20 0 BDADMP CCOCC[N@@H+](CC)CC1CC[NH+](C)CC1 ZINC000891817610 582725913 /nfs/dbraw/zinc/72/59/13/582725913.db2.gz BXIASWFEPNIJNU-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892034753 582766668 /nfs/dbraw/zinc/76/66/68/582766668.db2.gz UGKPJINXTTXWHF-CQSZACIVSA-N 3 1 239.407 1.212 20 0 BDADMP CN(C)C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892034753 582766674 /nfs/dbraw/zinc/76/66/74/582766674.db2.gz UGKPJINXTTXWHF-CQSZACIVSA-N 2 1 239.407 1.212 20 0 BDADMP CN(C)C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892034753 582766677 /nfs/dbraw/zinc/76/66/77/582766677.db2.gz UGKPJINXTTXWHF-CQSZACIVSA-N 2 1 239.407 1.212 20 0 BDADMP CC/C=C\CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849035261 582836535 /nfs/dbraw/zinc/83/65/35/582836535.db2.gz BOHZEJXIUCABCB-FOQNGQEVSA-N 2 1 238.379 1.551 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1CO ZINC000892460677 582893014 /nfs/dbraw/zinc/89/30/14/582893014.db2.gz RXTIFDAHEPHNNY-CYBMUJFWSA-N 2 1 249.358 1.282 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCSCC2)CC1 ZINC000893421363 583140871 /nfs/dbraw/zinc/14/08/71/583140871.db2.gz SKTSSBXRMSLZQG-UHFFFAOYSA-N 2 1 228.405 1.767 20 0 BDADMP C[C@@H]1[C@@H](C)[N@@H+](CC2CC[NH+](C)CC2)CCN1C ZINC000893669598 583192377 /nfs/dbraw/zinc/19/23/77/583192377.db2.gz QTDNPNUPYZWYRM-CHWSQXEVSA-N 2 1 239.407 1.353 20 0 BDADMP Cc1ncoc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000894093143 583299633 /nfs/dbraw/zinc/29/96/33/583299633.db2.gz CWSQUFGFUUPQCZ-CHWSQXEVSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000894093143 583299634 /nfs/dbraw/zinc/29/96/34/583299634.db2.gz CWSQUFGFUUPQCZ-CHWSQXEVSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000894093143 583299636 /nfs/dbraw/zinc/29/96/36/583299636.db2.gz CWSQUFGFUUPQCZ-CHWSQXEVSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000894093143 583299639 /nfs/dbraw/zinc/29/96/39/583299639.db2.gz CWSQUFGFUUPQCZ-CHWSQXEVSA-N 2 1 249.358 1.899 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCOCC3)CC[C@@H]21 ZINC000877744555 583345516 /nfs/dbraw/zinc/34/55/16/583345516.db2.gz VKOFIEHOBXNYKM-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCOCC3)CC[C@@H]21 ZINC000877744555 583345518 /nfs/dbraw/zinc/34/55/18/583345518.db2.gz VKOFIEHOBXNYKM-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCOCC3)CC[C@@H]21 ZINC000877744555 583345521 /nfs/dbraw/zinc/34/55/21/583345521.db2.gz VKOFIEHOBXNYKM-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCOCC3)CC[C@@H]21 ZINC000877744555 583345524 /nfs/dbraw/zinc/34/55/24/583345524.db2.gz VKOFIEHOBXNYKM-KBPBESRZSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc[nH]1 ZINC000894288230 583411900 /nfs/dbraw/zinc/41/19/00/583411900.db2.gz QBGRLBSVHVHYRU-UHFFFAOYSA-N 2 1 233.319 1.485 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)CC1CC[NH+](C)CC1 ZINC000894471512 583469187 /nfs/dbraw/zinc/46/91/87/583469187.db2.gz LLHIQPYJDQHWJC-UHFFFAOYSA-N 3 1 241.423 1.602 20 0 BDADMP CC[N@H+](CCCN(C)C)CC1CC[NH+](C)CC1 ZINC000894471512 583469190 /nfs/dbraw/zinc/46/91/90/583469190.db2.gz LLHIQPYJDQHWJC-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CC[N@@H+](CCCN(C)C)CC1CC[NH+](C)CC1 ZINC000894471512 583469191 /nfs/dbraw/zinc/46/91/91/583469191.db2.gz LLHIQPYJDQHWJC-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CCc1ncc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000894752246 583515981 /nfs/dbraw/zinc/51/59/81/583515981.db2.gz BHPXZNBHNIUHDD-YOGCLGLASA-N 2 1 249.358 1.952 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000895146281 583604486 /nfs/dbraw/zinc/60/44/86/583604486.db2.gz DQBAFBZPNCTSJE-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1ncc(C[N@H+]2CCCCC[C@@H]2CO)n1C ZINC000895151729 583606990 /nfs/dbraw/zinc/60/69/90/583606990.db2.gz WWRHGDDCVBXOLK-GFCCVEGCSA-N 2 1 237.347 1.465 20 0 BDADMP Cc1nc(F)ccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895291676 583636805 /nfs/dbraw/zinc/63/68/05/583636805.db2.gz ASHLPUMHRNHFNR-JTQLQIEISA-N 2 1 239.338 1.959 20 0 BDADMP CC1=NO[C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000895302970 583644913 /nfs/dbraw/zinc/64/49/13/583644913.db2.gz XZGMUNKUIHBKGN-RYUDHWBXSA-N 2 1 239.363 1.614 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000895302970 583644915 /nfs/dbraw/zinc/64/49/15/583644915.db2.gz XZGMUNKUIHBKGN-RYUDHWBXSA-N 2 1 239.363 1.614 20 0 BDADMP C[C@@H]1[C@H](Nc2cc[nH+]cc2C2CC2)CC[N@H+]1C ZINC000895733913 583717161 /nfs/dbraw/zinc/71/71/61/583717161.db2.gz HOKXQDPLLKCNHG-ZWNOBZJWSA-N 2 1 231.343 1.885 20 0 BDADMP CC[S@@](=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858133631 588934757 /nfs/dbraw/zinc/93/47/57/588934757.db2.gz TZEYYQSTQIAXNP-BDJLRTHQSA-N 2 1 246.420 1.217 20 0 BDADMP CC[S@@](=O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858133631 588934758 /nfs/dbraw/zinc/93/47/58/588934758.db2.gz TZEYYQSTQIAXNP-BDJLRTHQSA-N 2 1 246.420 1.217 20 0 BDADMP CCO[C@H](C[NH2+]C[C@@](C)(CC)OC)C[NH+](C)C ZINC000896879521 583844941 /nfs/dbraw/zinc/84/49/41/583844941.db2.gz CSZYVKNGZVUOEV-CHWSQXEVSA-N 2 1 246.395 1.358 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@H]1SC)C[NH+](C)C ZINC000896880098 583845112 /nfs/dbraw/zinc/84/51/12/583845112.db2.gz NJMCCMNNCMNRJL-GRYCIOLGSA-N 2 1 246.420 1.437 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnc(F)c1 ZINC000858100253 588932687 /nfs/dbraw/zinc/93/26/87/588932687.db2.gz ADCUZTKGRYCAGV-UHFFFAOYSA-N 2 1 248.305 1.906 20 0 BDADMP COc1ccccc1CCC[N@H+](C)C[C@H](C)[NH3+] ZINC000863568944 583992896 /nfs/dbraw/zinc/99/28/96/583992896.db2.gz PXIGTUATLULYNZ-LBPRGKRZSA-N 2 1 236.359 1.907 20 0 BDADMP COc1ccccc1CCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863568944 583992897 /nfs/dbraw/zinc/99/28/97/583992897.db2.gz PXIGTUATLULYNZ-LBPRGKRZSA-N 2 1 236.359 1.907 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(C3(O)CCC3)CC2)CC1 ZINC000897528262 584006071 /nfs/dbraw/zinc/00/60/71/584006071.db2.gz BHMNQBDIYPMVSV-UHFFFAOYSA-N 2 1 238.375 1.365 20 0 BDADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(CO)c2)CC[N@H+]1C ZINC000858423318 588953416 /nfs/dbraw/zinc/95/34/16/588953416.db2.gz CRWQHHQKAJDRRW-ZYHUDNBSSA-N 2 1 235.331 1.469 20 0 BDADMP COC[C@H](C)C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307398 584109419 /nfs/dbraw/zinc/10/94/19/584109419.db2.gz AZBMWQOUTGJLFE-GFCCVEGCSA-N 2 1 230.396 1.789 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC000898381478 584113658 /nfs/dbraw/zinc/11/36/58/584113658.db2.gz HHTKYFWCEHNJDS-KGLIPLIRSA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000873258193 584128219 /nfs/dbraw/zinc/12/82/19/584128219.db2.gz NUTDJRLHINSUDI-LPWJVIDDSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000873258193 584128220 /nfs/dbraw/zinc/12/82/20/584128220.db2.gz NUTDJRLHINSUDI-LPWJVIDDSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000873281527 584128860 /nfs/dbraw/zinc/12/88/60/584128860.db2.gz KTUHKJSWYGCKMJ-NDKCEZKHSA-N 2 1 238.375 1.674 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]c(CO)c2)[C@H](C)C1 ZINC000858542306 588964086 /nfs/dbraw/zinc/96/40/86/588964086.db2.gz BKGRUAZFLYDIDU-LLVKDONJSA-N 2 1 235.331 1.104 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899265781 584189709 /nfs/dbraw/zinc/18/97/09/584189709.db2.gz HRZPCLMGCCLDGX-SNVBAGLBSA-N 2 1 249.362 1.494 20 0 BDADMP C[N@H+]1C[C@@H]2CCCN(c3cc[nH+]c(CO)c3)[C@@H]2C1 ZINC000858586069 588969188 /nfs/dbraw/zinc/96/91/88/588969188.db2.gz RKDBRLREWOACQJ-SMDDNHRTSA-N 2 1 247.342 1.104 20 0 BDADMP CC(C)C[C@@](C)(C[NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000900017765 584266984 /nfs/dbraw/zinc/26/69/84/584266984.db2.gz SQNKULWTRNNHMG-NSHDSACASA-N 2 1 238.335 1.280 20 0 BDADMP [NH3+]C1CC[NH+](CCc2cc(C3CC3)no2)CC1 ZINC000901396880 584438856 /nfs/dbraw/zinc/43/88/56/584438856.db2.gz RBKJVLRIBLBCBN-UHFFFAOYSA-N 2 1 235.331 1.518 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000902406584 584574300 /nfs/dbraw/zinc/57/43/00/584574300.db2.gz OIJTVTPWHSDLLY-QWRGUYRKSA-N 2 1 214.328 1.986 20 0 BDADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902407630 584574836 /nfs/dbraw/zinc/57/48/36/584574836.db2.gz SMUBWORLOPGQSO-AAEUAGOBSA-N 2 1 234.343 1.844 20 0 BDADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902407633 584574964 /nfs/dbraw/zinc/57/49/64/584574964.db2.gz SMUBWORLOPGQSO-YPMHNXCESA-N 2 1 234.343 1.844 20 0 BDADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415733 584589675 /nfs/dbraw/zinc/58/96/75/584589675.db2.gz PVYBUPCDHDJFSE-SNVBAGLBSA-N 2 1 220.316 1.837 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)[C@H]1CCC[NH2+]1 ZINC000902428767 584594959 /nfs/dbraw/zinc/59/49/59/584594959.db2.gz HUNCCFJZQLHSTI-ASEORRQLSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@H+]1C1CC1 ZINC000902474490 584602225 /nfs/dbraw/zinc/60/22/25/584602225.db2.gz FPECVYALCYHSLE-KLKTVBQGSA-N 2 1 235.375 1.094 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000902475971 584602609 /nfs/dbraw/zinc/60/26/09/584602609.db2.gz KQBDHXUECULBAZ-PZWNZHSQSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC2(C)C)C[N@H+]1C1CC1 ZINC000902448955 584605495 /nfs/dbraw/zinc/60/54/95/584605495.db2.gz KBLOOKQGZPZWDJ-WZRBSPASSA-N 2 1 237.391 1.199 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC2(C)C)C1(C)C ZINC000902448947 584605910 /nfs/dbraw/zinc/60/59/10/584605910.db2.gz JUMTZIXOYFGJGN-SDDRHHMPSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902454398 584608812 /nfs/dbraw/zinc/60/88/12/584608812.db2.gz HKIQPWNXCVHMFL-CKIKVBCHSA-N 2 1 208.349 1.905 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000902457008 584610383 /nfs/dbraw/zinc/61/03/83/584610383.db2.gz RQKOVOFPVBSZSZ-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP Cn1cnc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000902460305 584611517 /nfs/dbraw/zinc/61/15/17/584611517.db2.gz GOTZEMSRVPKDNC-ZYHUDNBSSA-N 2 1 222.336 1.027 20 0 BDADMP C1CC2(C1)CC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470262 584616821 /nfs/dbraw/zinc/61/68/21/584616821.db2.gz VQSKVDXURAJQFM-IRCOFANPSA-N 2 1 206.333 1.802 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H](O)C2CC2)c2ccccc21 ZINC000902506607 584622083 /nfs/dbraw/zinc/62/20/83/584622083.db2.gz YRBPOANGNRVYFC-ILXRZTDVSA-N 2 1 246.354 1.882 20 0 BDADMP Cc1ncccc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000902510942 584622902 /nfs/dbraw/zinc/62/29/02/584622902.db2.gz AXZYSCVTKZAWBR-ZDUSSCGKSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)[C@@H](C)O1 ZINC000902481735 584623975 /nfs/dbraw/zinc/62/39/75/584623975.db2.gz GHGJJMRYDAPYOT-NDBYEHHHSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902482493 584624062 /nfs/dbraw/zinc/62/40/62/584624062.db2.gz LZUSOGRBJMZTKY-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000902485220 584624627 /nfs/dbraw/zinc/62/46/27/584624627.db2.gz JMKKAEGPYCTZJQ-QXEWZRGKSA-N 2 1 220.320 1.114 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000902487732 584626711 /nfs/dbraw/zinc/62/67/11/584626711.db2.gz LXASAWKBOPQVPJ-FDYHWXHSSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000902487732 584626712 /nfs/dbraw/zinc/62/67/12/584626712.db2.gz LXASAWKBOPQVPJ-FDYHWXHSSA-N 2 1 225.380 1.044 20 0 BDADMP Cc1ncccc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000902514052 584629582 /nfs/dbraw/zinc/62/95/82/584629582.db2.gz PLBLFLMPPDQKMM-RISCZKNCSA-N 2 1 233.359 1.520 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000902515694 584629611 /nfs/dbraw/zinc/62/96/11/584629611.db2.gz YHDQPYSXQGWCBK-VXGBXAGGSA-N 2 1 244.342 1.612 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1c[nH+]ccc1N ZINC000902517094 584629810 /nfs/dbraw/zinc/62/98/10/584629810.db2.gz GZUZQBCZZMTDTE-BHYNMZESSA-N 2 1 247.342 1.570 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1c[nH+]ccc1N ZINC000902517096 584630222 /nfs/dbraw/zinc/63/02/22/584630222.db2.gz GZUZQBCZZMTDTE-MRCXROJRSA-N 2 1 247.342 1.570 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000902518522 584630939 /nfs/dbraw/zinc/63/09/39/584630939.db2.gz MDLXOWSJUNDWPA-SQNXGDPESA-N 2 1 224.348 1.142 20 0 BDADMP CC[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902520844 584631404 /nfs/dbraw/zinc/63/14/04/584631404.db2.gz PMTAZZTUMIZRTA-XUXIUFHCSA-N 2 1 238.375 1.532 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902795647 584674020 /nfs/dbraw/zinc/67/40/20/584674020.db2.gz HVDCQSJKDNTIAN-RNJOBUHISA-N 2 1 226.364 1.077 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000903185122 584733490 /nfs/dbraw/zinc/73/34/90/584733490.db2.gz HPENKQFQIGMGDM-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425289 584760885 /nfs/dbraw/zinc/76/08/85/584760885.db2.gz ZFIQUWPDPDPOAY-AGIUHOORSA-N 3 1 227.396 1.419 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425290 584760915 /nfs/dbraw/zinc/76/09/15/584760915.db2.gz ZFIQUWPDPDPOAY-FRRDWIJNSA-N 3 1 227.396 1.419 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cncc(F)c1 ZINC000903458632 584765173 /nfs/dbraw/zinc/76/51/73/584765173.db2.gz FWQACALXJPXLLC-FOGDFJRCSA-N 2 1 237.322 1.727 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903459194 584765905 /nfs/dbraw/zinc/76/59/05/584765905.db2.gz DQYZNSIPRHGITP-BJJPWKGXSA-N 3 1 239.407 1.419 20 0 BDADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903459346 584766057 /nfs/dbraw/zinc/76/60/57/584766057.db2.gz TUDJIGGDEGNWAI-MCIONIFRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000903461211 584766433 /nfs/dbraw/zinc/76/64/33/584766433.db2.gz PJQVSGYPANJBFV-YIYPIFLZSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000903461211 584766434 /nfs/dbraw/zinc/76/64/34/584766434.db2.gz PJQVSGYPANJBFV-YIYPIFLZSA-N 2 1 239.407 1.291 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCC[NH2+]1)CC[NH2+]CC2 ZINC000903459917 584766752 /nfs/dbraw/zinc/76/67/52/584766752.db2.gz QUFJOXITFIOHSD-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC2(CN1C[C@H]1CCC[NH2+]1)CC[NH2+]CC2 ZINC000903459917 584766754 /nfs/dbraw/zinc/76/67/54/584766754.db2.gz QUFJOXITFIOHSD-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000903464249 584767181 /nfs/dbraw/zinc/76/71/81/584767181.db2.gz FDESFUHEVDECFQ-BFHYXJOUSA-N 2 1 238.375 1.616 20 0 BDADMP c1c[nH+]c([C@@H]2CCCN(C[C@H]3CCC[NH2+]3)C2)[nH]1 ZINC000903442455 584767661 /nfs/dbraw/zinc/76/76/61/584767661.db2.gz RBBQOQIODXZUMU-VXGBXAGGSA-N 2 1 234.347 1.341 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000903447272 584770711 /nfs/dbraw/zinc/77/07/11/584770711.db2.gz MERICQXYBQHYQM-ODXJTPSBSA-N 3 1 237.391 1.173 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000903450460 584771774 /nfs/dbraw/zinc/77/17/74/584771774.db2.gz WIKXCGXXXUFBCJ-NDBYEHHHSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903454649 584773401 /nfs/dbraw/zinc/77/34/01/584773401.db2.gz HGSICCAUHWMKBP-HHKYUTTNSA-N 2 1 230.302 1.699 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903454649 584773402 /nfs/dbraw/zinc/77/34/02/584773402.db2.gz HGSICCAUHWMKBP-HHKYUTTNSA-N 2 1 230.302 1.699 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(C)C ZINC000903454628 584773484 /nfs/dbraw/zinc/77/34/84/584773484.db2.gz GJFOYKUIKFDXMI-YIYPIFLZSA-N 2 1 242.407 1.881 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903474455 584776964 /nfs/dbraw/zinc/77/69/64/584776964.db2.gz MZUJQZWNWBJMRK-RQJABVFESA-N 3 1 237.391 1.045 20 0 BDADMP c1cncc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903483092 584778499 /nfs/dbraw/zinc/77/84/99/584778499.db2.gz DFRTUCKVMSVOIF-AWEZNQCLSA-N 2 1 245.370 1.888 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000903482448 584778827 /nfs/dbraw/zinc/77/88/27/584778827.db2.gz IFRIIYWBZISACB-QWHCGFSZSA-N 3 1 237.391 1.332 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNCCC23CCC3)C1 ZINC000903482448 584778828 /nfs/dbraw/zinc/77/88/28/584778828.db2.gz IFRIIYWBZISACB-QWHCGFSZSA-N 2 1 237.391 1.332 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCNCCC23CCC3)C1 ZINC000903482448 584778829 /nfs/dbraw/zinc/77/88/29/584778829.db2.gz IFRIIYWBZISACB-QWHCGFSZSA-N 2 1 237.391 1.332 20 0 BDADMP C(C[C@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000903483053 584779016 /nfs/dbraw/zinc/77/90/16/584779016.db2.gz BYOVMUOYABBPAL-OLZOCXBDSA-N 2 1 237.391 1.250 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485117 584779446 /nfs/dbraw/zinc/77/94/46/584779446.db2.gz IOGCFJRDLRMZSD-LLVKDONJSA-N 2 1 212.337 1.287 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498856 584780138 /nfs/dbraw/zinc/78/01/38/584780138.db2.gz LRQMDRSDHQOLJI-LPWJVIDDSA-N 2 1 226.364 1.328 20 0 BDADMP [NH3+]CCC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491213 584780917 /nfs/dbraw/zinc/78/09/17/584780917.db2.gz ZIWUSLNTESUDNR-UONOGXRCSA-N 2 1 216.328 1.609 20 0 BDADMP [NH3+]CCOCC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491130 584781110 /nfs/dbraw/zinc/78/11/10/584781110.db2.gz WVNZGRSPHJFHFV-CABCVRRESA-N 2 1 246.354 1.235 20 0 BDADMP Cn1ccc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000903564448 584781983 /nfs/dbraw/zinc/78/19/83/584781983.db2.gz VESXEJAJHDNAAO-QWHCGFSZSA-N 2 1 248.374 1.209 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903717158 584792352 /nfs/dbraw/zinc/79/23/52/584792352.db2.gz IDEPSATZMCOYEG-KGLIPLIRSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903717158 584792353 /nfs/dbraw/zinc/79/23/53/584792353.db2.gz IDEPSATZMCOYEG-KGLIPLIRSA-N 3 1 241.423 1.681 20 0 BDADMP CC1CC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903717351 584792632 /nfs/dbraw/zinc/79/26/32/584792632.db2.gz OEJGOKGSRFIYSR-TUUUFIMRSA-N 2 1 208.349 1.859 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903717351 584792634 /nfs/dbraw/zinc/79/26/34/584792634.db2.gz OEJGOKGSRFIYSR-TUUUFIMRSA-N 2 1 208.349 1.859 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903730071 584792911 /nfs/dbraw/zinc/79/29/11/584792911.db2.gz TXZPATWJVCBICZ-QWHCGFSZSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729255 584793004 /nfs/dbraw/zinc/79/30/04/584793004.db2.gz LKKPECOGYCNSCE-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903747250 584794917 /nfs/dbraw/zinc/79/49/17/584794917.db2.gz QMBULJLJDSDCRQ-ZIAGYGMSSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)[C@@H](C)C[N@H+]1C ZINC000903752428 584795393 /nfs/dbraw/zinc/79/53/93/584795393.db2.gz NVSLYWLYIMTIPO-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000903752291 584795737 /nfs/dbraw/zinc/79/57/37/584795737.db2.gz MHAQJUABDLGAAF-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000903752291 584795738 /nfs/dbraw/zinc/79/57/38/584795738.db2.gz MHAQJUABDLGAAF-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903744485 584796657 /nfs/dbraw/zinc/79/66/57/584796657.db2.gz TYJQUUQOMGZWGY-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903744485 584796658 /nfs/dbraw/zinc/79/66/58/584796658.db2.gz TYJQUUQOMGZWGY-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903743755 584796872 /nfs/dbraw/zinc/79/68/72/584796872.db2.gz MXUWPXHURJLJCC-ZYHUDNBSSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903743755 584796873 /nfs/dbraw/zinc/79/68/73/584796873.db2.gz MXUWPXHURJLJCC-ZYHUDNBSSA-N 2 1 240.326 1.022 20 0 BDADMP CC1CC(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000903761615 584797478 /nfs/dbraw/zinc/79/74/78/584797478.db2.gz XEMRSZNRYZRPKM-WXRRBKDZSA-N 2 1 208.349 1.860 20 0 BDADMP CC1CC(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000903761615 584797479 /nfs/dbraw/zinc/79/74/79/584797479.db2.gz XEMRSZNRYZRPKM-WXRRBKDZSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903760150 584797553 /nfs/dbraw/zinc/79/75/53/584797553.db2.gz VFIAIARRAQOUAE-RDBSUJKOSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903760150 584797555 /nfs/dbraw/zinc/79/75/55/584797555.db2.gz VFIAIARRAQOUAE-RDBSUJKOSA-N 3 1 239.407 1.293 20 0 BDADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903763454 584797612 /nfs/dbraw/zinc/79/76/12/584797612.db2.gz KAHQFSZNWMAPRL-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CC12CC(C1)C[N@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769317 584798134 /nfs/dbraw/zinc/79/81/34/584798134.db2.gz CKMCBUOHYYLXEJ-YIOUJQMASA-N 2 1 236.359 1.239 20 0 BDADMP COCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903815583 584800614 /nfs/dbraw/zinc/80/06/14/584800614.db2.gz RPNJBIZHFIWVSJ-LBPRGKRZSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@]12C[N@@H+](CCOCC[NH3+])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827310 584805073 /nfs/dbraw/zinc/80/50/73/584805073.db2.gz RQAHTWVIYHWGNA-RFQIPJPRSA-N 2 1 236.359 1.106 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CCCCCC[NH3+] ZINC000903831432 584805949 /nfs/dbraw/zinc/80/59/49/584805949.db2.gz JUKBZPUUXCTGNC-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000903832907 584805962 /nfs/dbraw/zinc/80/59/62/584805962.db2.gz SQAVLGHHVLSWLP-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903831665 584806065 /nfs/dbraw/zinc/80/60/65/584806065.db2.gz MCMAOULHDKYATA-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCSC[C@H]1C ZINC000903832868 584806071 /nfs/dbraw/zinc/80/60/71/584806071.db2.gz SDSMDSTYSMQLCE-UTUOFQBUSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@H]1CCOCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000903831905 584806307 /nfs/dbraw/zinc/80/63/07/584806307.db2.gz NKNYWHYYQUMQLB-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CCC[NH2+]C1CC1 ZINC000903831905 584806309 /nfs/dbraw/zinc/80/63/09/584806309.db2.gz NKNYWHYYQUMQLB-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP NC[C@@]12CC[C@H]1CC[N@H+]2CCCCCCC[NH3+] ZINC000903856639 584808543 /nfs/dbraw/zinc/80/85/43/584808543.db2.gz AWRVPLXTJXSQGR-KBPBESRZSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856639 584808544 /nfs/dbraw/zinc/80/85/44/584808544.db2.gz AWRVPLXTJXSQGR-KBPBESRZSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856639 584808545 /nfs/dbraw/zinc/80/85/45/584808545.db2.gz AWRVPLXTJXSQGR-KBPBESRZSA-N 3 1 239.407 1.709 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903855580 584809043 /nfs/dbraw/zinc/80/90/43/584809043.db2.gz NOOUTOZYILMYCK-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855580 584809045 /nfs/dbraw/zinc/80/90/45/584809045.db2.gz NOOUTOZYILMYCK-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP COCCCCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903854466 584809506 /nfs/dbraw/zinc/80/95/06/584809506.db2.gz JGMCJHAQCLKYDG-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903854466 584809508 /nfs/dbraw/zinc/80/95/08/584809508.db2.gz JGMCJHAQCLKYDG-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCCCCO ZINC000903857445 584810107 /nfs/dbraw/zinc/81/01/07/584810107.db2.gz VHJLBKXALSRGQB-CHWSQXEVSA-N 2 1 226.364 1.352 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCCCCO ZINC000903857445 584810108 /nfs/dbraw/zinc/81/01/08/584810108.db2.gz VHJLBKXALSRGQB-CHWSQXEVSA-N 2 1 226.364 1.352 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1CC1 ZINC000903870684 584814839 /nfs/dbraw/zinc/81/48/39/584814839.db2.gz PGTLPYJAQDNQPE-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CC1 ZINC000903870684 584814840 /nfs/dbraw/zinc/81/48/40/584814840.db2.gz PGTLPYJAQDNQPE-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP OCCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903892068 584815867 /nfs/dbraw/zinc/81/58/67/584815867.db2.gz GPRUVXJZFPLHGV-YHWZYXNKSA-N 2 1 238.375 1.364 20 0 BDADMP CCC[N@@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903877351 584816615 /nfs/dbraw/zinc/81/66/15/584816615.db2.gz MVDYSUWXTXENNS-YHWZYXNKSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@]1(C2CC2)COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903881615 584817829 /nfs/dbraw/zinc/81/78/29/584817829.db2.gz HWFLEHIOVUJSLV-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885917 584819308 /nfs/dbraw/zinc/81/93/08/584819308.db2.gz LYMOUANEEFEYDR-RYUDHWBXSA-N 2 1 249.362 1.044 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903905375 584821263 /nfs/dbraw/zinc/82/12/63/584821263.db2.gz DDSLUXZEOVSUTI-VHSXEESVSA-N 3 1 235.322 1.030 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903905375 584821264 /nfs/dbraw/zinc/82/12/64/584821264.db2.gz DDSLUXZEOVSUTI-VHSXEESVSA-N 3 1 235.322 1.030 20 0 BDADMP N[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903905375 584821265 /nfs/dbraw/zinc/82/12/65/584821265.db2.gz DDSLUXZEOVSUTI-VHSXEESVSA-N 2 1 235.322 1.030 20 0 BDADMP N[C@H](CC(F)F)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903905375 584821266 /nfs/dbraw/zinc/82/12/66/584821266.db2.gz DDSLUXZEOVSUTI-VHSXEESVSA-N 2 1 235.322 1.030 20 0 BDADMP Cc1cc(N)cc(C[NH2+]C[C@H]([NH3+])CC(F)F)c1 ZINC000903918778 584822939 /nfs/dbraw/zinc/82/29/39/584822939.db2.gz HROQAEOOTIXBLE-LLVKDONJSA-N 2 1 243.301 1.649 20 0 BDADMP CC1(C)C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903919944 584823238 /nfs/dbraw/zinc/82/32/38/584823238.db2.gz QLPQNHCCCPOWQK-YHWZYXNKSA-N 2 1 237.391 1.201 20 0 BDADMP CC1(C)CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000903919944 584823239 /nfs/dbraw/zinc/82/32/39/584823239.db2.gz QLPQNHCCCPOWQK-YHWZYXNKSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+][C@@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)CC(F)F ZINC000903920968 584823263 /nfs/dbraw/zinc/82/32/63/584823263.db2.gz YXBGYKJQEKBNKF-NXEZZACHSA-N 3 1 235.322 1.091 20 0 BDADMP N[C@H](C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CC(F)F ZINC000903919630 584823322 /nfs/dbraw/zinc/82/33/22/584823322.db2.gz OZNMBEGMKWHCKM-DCAQKATOSA-N 2 1 249.349 1.324 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934012 584825262 /nfs/dbraw/zinc/82/52/62/584825262.db2.gz YWCVWBGVZOPFFJ-HKJOBYGYSA-N 2 1 249.402 1.330 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934012 584825264 /nfs/dbraw/zinc/82/52/64/584825264.db2.gz YWCVWBGVZOPFFJ-HKJOBYGYSA-N 2 1 249.402 1.330 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934012 584825266 /nfs/dbraw/zinc/82/52/66/584825266.db2.gz YWCVWBGVZOPFFJ-HKJOBYGYSA-N 2 1 249.402 1.330 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918302 584826785 /nfs/dbraw/zinc/82/67/85/584826785.db2.gz WMHRJUHGRLSHFN-GSPSYOTPSA-N 3 1 239.407 1.480 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955962 584832333 /nfs/dbraw/zinc/83/23/33/584832333.db2.gz DDTYMQYQDBCSMD-HBNTYKKESA-N 3 1 247.333 1.091 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000903978134 584833139 /nfs/dbraw/zinc/83/31/39/584833139.db2.gz GDWZHMKFOIGJCM-ZOBORPQBSA-N 3 1 239.407 1.291 20 0 BDADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967732 584834908 /nfs/dbraw/zinc/83/49/08/584834908.db2.gz MMDBTABHEUMLFI-NEPJUHHUSA-N 2 1 236.363 1.409 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903986539 584835424 /nfs/dbraw/zinc/83/54/24/584835424.db2.gz LYIKAPZGZMLOCG-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903986539 584835425 /nfs/dbraw/zinc/83/54/25/584835425.db2.gz LYIKAPZGZMLOCG-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)[C@H]1CN ZINC000904299402 584860384 /nfs/dbraw/zinc/86/03/84/584860384.db2.gz CIIPMJBOAPRUQD-DOMZBBRYSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@H]1CN ZINC000904299402 584860385 /nfs/dbraw/zinc/86/03/85/584860385.db2.gz CIIPMJBOAPRUQD-DOMZBBRYSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)[C@@H]1CN ZINC000904299404 584860537 /nfs/dbraw/zinc/86/05/37/584860537.db2.gz CIIPMJBOAPRUQD-IUODEOHRSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@@H]1CN ZINC000904299404 584860538 /nfs/dbraw/zinc/86/05/38/584860538.db2.gz CIIPMJBOAPRUQD-IUODEOHRSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904300198 584861440 /nfs/dbraw/zinc/86/14/40/584861440.db2.gz YRFITZKYCKYYMQ-FZMZJTMJSA-N 3 1 233.359 1.314 20 0 BDADMP C[C@H]1CN(Cc2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000904300198 584861441 /nfs/dbraw/zinc/86/14/41/584861441.db2.gz YRFITZKYCKYYMQ-FZMZJTMJSA-N 2 1 233.359 1.314 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302354 584861881 /nfs/dbraw/zinc/86/18/81/584861881.db2.gz VAZFBDJDGNPNOG-NLCNOVPZSA-N 3 1 223.364 1.068 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302354 584861882 /nfs/dbraw/zinc/86/18/82/584861882.db2.gz VAZFBDJDGNPNOG-NLCNOVPZSA-N 2 1 223.364 1.068 20 0 BDADMP Cn1cccc1[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303737 584861984 /nfs/dbraw/zinc/86/19/84/584861984.db2.gz FNZPQWABDYDEPZ-MBNYWOFBSA-N 2 1 233.359 1.899 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@@H+](C[C@@H]2CCOC2)C2CC2)C1 ZINC000904307613 584862543 /nfs/dbraw/zinc/86/25/43/584862543.db2.gz SJMHLLFZJGEZBG-SDDRHHMPSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311866 584862553 /nfs/dbraw/zinc/86/25/53/584862553.db2.gz JJVREEKKBMRNFL-AEGPPILISA-N 2 1 248.370 1.607 20 0 BDADMP Cc1noc(C)c1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311842 584863026 /nfs/dbraw/zinc/86/30/26/584863026.db2.gz IIXZRNWPEWZEKW-PHIMTYICSA-N 2 1 223.320 1.461 20 0 BDADMP C[C@@]1(C[N@@H+](CCCCO)C2CC2)CCC[NH2+]C1 ZINC000904321378 584864360 /nfs/dbraw/zinc/86/43/60/584864360.db2.gz YDZWOXLVLCHIGV-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP CC(C)(C)CC[C@H](N)C[NH2+]C1CCC([NH3+])CC1 ZINC000904333763 584866745 /nfs/dbraw/zinc/86/67/45/584866745.db2.gz FOEVAJKAFYFORI-CPCZMJQVSA-N 2 1 241.423 2.000 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)C1 ZINC000904343500 584867644 /nfs/dbraw/zinc/86/76/44/584867644.db2.gz UPIFMSILMBAWOL-ZDEQEGDKSA-N 2 1 224.348 1.082 20 0 BDADMP CCC[C@]1(CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345869 584868390 /nfs/dbraw/zinc/86/83/90/584868390.db2.gz KRFHSTKFJFZBBV-FRRDWIJNSA-N 2 1 226.364 1.351 20 0 BDADMP Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350943 584869309 /nfs/dbraw/zinc/86/93/09/584869309.db2.gz RTKFDNMHHZWHOB-SCRDCRAPSA-N 2 1 248.374 1.684 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000904373819 584873732 /nfs/dbraw/zinc/87/37/32/584873732.db2.gz KNNALCUHPVZXOL-ZJUUUORDSA-N 2 1 222.336 1.433 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC000904373378 584873954 /nfs/dbraw/zinc/87/39/54/584873954.db2.gz DBCUUVZTJPIXBE-FPMFFAJLSA-N 2 1 231.343 1.608 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](C3CCC3)C2)C1 ZINC000904374067 584874104 /nfs/dbraw/zinc/87/41/04/584874104.db2.gz ZJLHTKQFLGMTNN-WCFLWFBJSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904376859 584875922 /nfs/dbraw/zinc/87/59/22/584875922.db2.gz GKQSNBQXFNLFSH-MPZDIEGVSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379814 584876634 /nfs/dbraw/zinc/87/66/34/584876634.db2.gz XWFZFFVFOUWFGU-RDBSUJKOSA-N 2 1 238.375 1.344 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904383597 584877450 /nfs/dbraw/zinc/87/74/50/584877450.db2.gz CTGISRFDDOKKMX-AWEZNQCLSA-N 3 1 241.423 1.827 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3CSC[C@H]3C2)C1 ZINC000904385232 584877816 /nfs/dbraw/zinc/87/78/16/584877816.db2.gz VQDGRUBBFHWAKV-KKOKHZNYSA-N 2 1 226.389 1.409 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000904410235 584879315 /nfs/dbraw/zinc/87/93/15/584879315.db2.gz MUUJLJBOKGZTPL-SYQHCUMBSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@H]1C[NH3+] ZINC000904409366 584879352 /nfs/dbraw/zinc/87/93/52/584879352.db2.gz AIDYLWFCBLKEBY-AAEUAGOBSA-N 2 1 221.348 1.442 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412402 584879523 /nfs/dbraw/zinc/87/95/23/584879523.db2.gz VHSVDSQSNCJDTO-GXSJLCMTSA-N 2 1 239.388 1.868 20 0 BDADMP CCn1ccnc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412674 584879544 /nfs/dbraw/zinc/87/95/44/584879544.db2.gz WBSWLOUWKMDOSK-RYUDHWBXSA-N 2 1 236.363 1.320 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411320 584879682 /nfs/dbraw/zinc/87/96/82/584879682.db2.gz UMHHBDUGLWBDON-WOPDTQHZSA-N 2 1 214.353 1.186 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412325 584879744 /nfs/dbraw/zinc/87/97/44/584879744.db2.gz SCVUIHPXPRRHSU-KOLCDFICSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412325 584879745 /nfs/dbraw/zinc/87/97/45/584879745.db2.gz SCVUIHPXPRRHSU-KOLCDFICSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412325 584879746 /nfs/dbraw/zinc/87/97/46/584879746.db2.gz SCVUIHPXPRRHSU-KOLCDFICSA-N 2 1 222.336 1.135 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCCCCC[NH3+] ZINC000842476879 584897914 /nfs/dbraw/zinc/89/79/14/584897914.db2.gz VKKKLURAHUVXHN-RDBSUJKOSA-N 3 1 241.423 1.872 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817913696 584991175 /nfs/dbraw/zinc/99/11/75/584991175.db2.gz QUCNESMWVSAIAF-HZSPNIEDSA-N 2 1 239.407 1.720 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000821386130 585016042 /nfs/dbraw/zinc/01/60/42/585016042.db2.gz IWWLWPDNHFTZCL-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000821386130 585016043 /nfs/dbraw/zinc/01/60/43/585016043.db2.gz IWWLWPDNHFTZCL-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000821386130 585016044 /nfs/dbraw/zinc/01/60/44/585016044.db2.gz IWWLWPDNHFTZCL-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000361674979 585025163 /nfs/dbraw/zinc/02/51/63/585025163.db2.gz JBCWAYDKFXECLB-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000361674979 585025164 /nfs/dbraw/zinc/02/51/64/585025164.db2.gz JBCWAYDKFXECLB-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361674979 585025165 /nfs/dbraw/zinc/02/51/65/585025165.db2.gz JBCWAYDKFXECLB-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)C2CC2)CC1 ZINC000838969439 585082776 /nfs/dbraw/zinc/08/27/76/585082776.db2.gz XTWVLXZLTDSGHB-QWHCGFSZSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+](CCN1CCCC1)CC1CC[NH+](C)CC1 ZINC000760831561 585398287 /nfs/dbraw/zinc/39/82/87/585398287.db2.gz AFUGFHQQKNPZCH-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CN(CC[NH+]1CCCC1)CC1CC[NH+](C)CC1 ZINC000760831561 585398288 /nfs/dbraw/zinc/39/82/88/585398288.db2.gz AFUGFHQQKNPZCH-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000767586297 585522733 /nfs/dbraw/zinc/52/27/33/585522733.db2.gz GAHHHCYYVCZVJV-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000771799068 585600489 /nfs/dbraw/zinc/60/04/89/585600489.db2.gz JEWRGIVRSVOHTM-KGLIPLIRSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000776522072 585700087 /nfs/dbraw/zinc/70/00/87/585700087.db2.gz ZEVSIWMVDVCCJG-LBPRGKRZSA-N 2 1 236.359 1.561 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CC2OCCO2)C[C@H]1C ZINC000777596162 585716517 /nfs/dbraw/zinc/71/65/17/585716517.db2.gz KNNPCVULNRWKAV-VXGBXAGGSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000779341653 585751723 /nfs/dbraw/zinc/75/17/23/585751723.db2.gz NYNXDXYXGKTALW-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000779341653 585751724 /nfs/dbraw/zinc/75/17/24/585751724.db2.gz NYNXDXYXGKTALW-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000779341538 585751973 /nfs/dbraw/zinc/75/19/73/585751973.db2.gz NULNTXFFBGHIOB-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000779341538 585751974 /nfs/dbraw/zinc/75/19/74/585751974.db2.gz NULNTXFFBGHIOB-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCO)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000779344758 585752082 /nfs/dbraw/zinc/75/20/82/585752082.db2.gz XYZDLFQPLKYXND-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779346092 585752222 /nfs/dbraw/zinc/75/22/22/585752222.db2.gz UHNSWFLGDFINJL-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP CCC(CC)[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000808782297 586489418 /nfs/dbraw/zinc/48/94/18/586489418.db2.gz NKWREZGYIKXJIT-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CCC(CC)[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000808782297 586489420 /nfs/dbraw/zinc/48/94/20/586489420.db2.gz NKWREZGYIKXJIT-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CSCCS1)[C@H]1CCC[NH2+]1 ZINC000817898520 586834930 /nfs/dbraw/zinc/83/49/30/586834930.db2.gz HVBHDLSDRBXYDG-OUAUKWLOSA-N 2 1 246.445 1.565 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817906304 586837187 /nfs/dbraw/zinc/83/71/87/586837187.db2.gz WZUBDSUIBDIQOR-QWRGUYRKSA-N 2 1 237.347 1.552 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000817912270 586838458 /nfs/dbraw/zinc/83/84/58/586838458.db2.gz FTLFXAUBJNLQTB-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000817914726 586838974 /nfs/dbraw/zinc/83/89/74/586838974.db2.gz YGNRHIPSVMYXOI-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000817914726 586838977 /nfs/dbraw/zinc/83/89/77/586838977.db2.gz YGNRHIPSVMYXOI-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1ncc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000817915554 586839141 /nfs/dbraw/zinc/83/91/41/586839141.db2.gz OBWFBQVISFBTAO-CABZTGNLSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1F ZINC000817927716 586841141 /nfs/dbraw/zinc/84/11/41/586841141.db2.gz QKTPLCQJRJZLBJ-CMPLNLGQSA-N 2 1 237.322 1.698 20 0 BDADMP c1n[nH]c2c1[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000817955591 586850037 /nfs/dbraw/zinc/85/00/37/586850037.db2.gz ZNIFEBXCLQJPGR-CMPLNLGQSA-N 2 1 234.347 1.376 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817970966 586858015 /nfs/dbraw/zinc/85/80/15/586858015.db2.gz ISXUBOLTZVAGJE-UWVGGRQHSA-N 2 1 220.316 1.619 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)CCO2 ZINC000817976804 586860596 /nfs/dbraw/zinc/86/05/96/586860596.db2.gz UPEHDKGXSOLDSD-JWFUOXDNSA-N 2 1 244.338 1.490 20 0 BDADMP c1n[nH]c2c1[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000817986558 586862903 /nfs/dbraw/zinc/86/29/03/586862903.db2.gz RQVQXRMQHKUZDF-ZDUSSCGKSA-N 2 1 246.358 1.687 20 0 BDADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](C)O)cn1 ZINC000818969640 586917915 /nfs/dbraw/zinc/91/79/15/586917915.db2.gz RKYCQVHVMGTGDG-JTQLQIEISA-N 2 1 246.314 1.046 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)C2CC2)C1 ZINC000819365993 586957944 /nfs/dbraw/zinc/95/79/44/586957944.db2.gz GJOSNCGZYUYPDO-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP CO[C@H]1CC[C@@H]([N@@H+](C)CCCn2ccnc2)C1 ZINC000821396745 587116580 /nfs/dbraw/zinc/11/65/80/587116580.db2.gz UVKHZHIPGREVRE-OLZOCXBDSA-N 2 1 237.347 1.773 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N(C)CC[NH2+]C ZINC000834419715 587755008 /nfs/dbraw/zinc/75/50/08/587755008.db2.gz QNYJBMGZEUSFRT-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000841061580 587941203 /nfs/dbraw/zinc/94/12/03/587941203.db2.gz KQGKMXDIRCOFBS-GXSJLCMTSA-N 2 1 239.750 1.965 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCCCCO ZINC000842476341 588028270 /nfs/dbraw/zinc/02/82/70/588028270.db2.gz MCCVOGAXSVVVNA-AGIUHOORSA-N 2 1 228.380 1.515 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843114951 588082652 /nfs/dbraw/zinc/08/26/52/588082652.db2.gz FISVCPVOZLGVRQ-HNNXBMFYSA-N 2 1 246.354 1.888 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843119693 588083923 /nfs/dbraw/zinc/08/39/23/588083923.db2.gz CILOPWLQLCKRLQ-LBPRGKRZSA-N 2 1 226.364 1.344 20 0 BDADMP [NH3+]CCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000843340773 588100944 /nfs/dbraw/zinc/10/09/44/588100944.db2.gz DZZXIYXCGGLFDV-KBPBESRZSA-N 3 1 239.407 1.722 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343655 588101594 /nfs/dbraw/zinc/10/15/94/588101594.db2.gz BUVJLDHPQDCFQB-OLZOCXBDSA-N 2 1 227.396 1.755 20 0 BDADMP CCCOC(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000843351558 588102329 /nfs/dbraw/zinc/10/23/29/588102329.db2.gz OSQSGKFTIODJKS-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP CCCCOC(=O)CC[NH+]1CCC([NH2+]C)CC1 ZINC000843351317 588102594 /nfs/dbraw/zinc/10/25/94/588102594.db2.gz JSWMACPDEJKYIS-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843347724 588102658 /nfs/dbraw/zinc/10/26/58/588102658.db2.gz IULSNUFPYNJIAI-AWEZNQCLSA-N 3 1 239.407 1.437 20 0 BDADMP CCCCOC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843362617 588104323 /nfs/dbraw/zinc/10/43/23/588104323.db2.gz LENQZZPCENNHAH-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843365389 588104529 /nfs/dbraw/zinc/10/45/29/588104529.db2.gz GSCUMRDPJQXNLH-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CCCCCCC[NH3+] ZINC000843365455 588104635 /nfs/dbraw/zinc/10/46/35/588104635.db2.gz JSGNUFIZJMAXJA-CQSZACIVSA-N 2 1 241.423 1.970 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CCCCCCC[NH3+] ZINC000843365455 588104637 /nfs/dbraw/zinc/10/46/37/588104637.db2.gz JSGNUFIZJMAXJA-CQSZACIVSA-N 2 1 241.423 1.970 20 0 BDADMP [NH3+]CCC[N@@H+](CCF)CC1CCCC1 ZINC000843385092 588105661 /nfs/dbraw/zinc/10/56/61/588105661.db2.gz WNKLVUUAGJJDFW-UHFFFAOYSA-N 2 1 202.317 1.797 20 0 BDADMP CCCCOC(=O)CC[N@H+](C)[C@H](CN)C1CC1 ZINC000843386405 588105749 /nfs/dbraw/zinc/10/57/49/588105749.db2.gz IEELEBTWXUSCAP-GFCCVEGCSA-N 2 1 242.363 1.389 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)[C@H](CN)C1CC1 ZINC000843386405 588105750 /nfs/dbraw/zinc/10/57/50/588105750.db2.gz IEELEBTWXUSCAP-GFCCVEGCSA-N 2 1 242.363 1.389 20 0 BDADMP CCCCOC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000843386405 588105752 /nfs/dbraw/zinc/10/57/52/588105752.db2.gz IEELEBTWXUSCAP-GFCCVEGCSA-N 2 1 242.363 1.389 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000843386405 588105754 /nfs/dbraw/zinc/10/57/54/588105754.db2.gz IEELEBTWXUSCAP-GFCCVEGCSA-N 2 1 242.363 1.389 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000845996415 588252768 /nfs/dbraw/zinc/25/27/68/588252768.db2.gz OHRQDSBRUAQFSA-AWEZNQCLSA-N 2 1 242.407 1.981 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CCO ZINC000846178047 588259284 /nfs/dbraw/zinc/25/92/84/588259284.db2.gz SQYHQELRYGRTCM-GFCCVEGCSA-N 2 1 216.369 1.325 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217965 588260326 /nfs/dbraw/zinc/26/03/26/588260326.db2.gz PPGDIKDSEQDOLZ-CHWSQXEVSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@@H]1CN(CCCCCC[NH3+])C[C@@H](C)[NH2+]1 ZINC000846217362 588260551 /nfs/dbraw/zinc/26/05/51/588260551.db2.gz FMDKIQIFCNRABE-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@@H](CN)C1CC1 ZINC000846221081 588261309 /nfs/dbraw/zinc/26/13/09/588261309.db2.gz RZCNDHROYAJEGB-LBPRGKRZSA-N 2 1 213.369 1.175 20 0 BDADMP CN(CCCCCC[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000846221081 588261310 /nfs/dbraw/zinc/26/13/10/588261310.db2.gz RZCNDHROYAJEGB-LBPRGKRZSA-N 2 1 213.369 1.175 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220896 588261421 /nfs/dbraw/zinc/26/14/21/588261421.db2.gz XPTUDANFQFTLSA-NWDGAFQWSA-N 3 1 213.369 1.175 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846221244 588261467 /nfs/dbraw/zinc/26/14/67/588261467.db2.gz VCKVHBBSFBFHMU-GFCCVEGCSA-N 3 1 213.369 1.176 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCC[NH3+] ZINC000846708853 588283848 /nfs/dbraw/zinc/28/38/48/588283848.db2.gz WJTOGKXSMYJXMM-VXGBXAGGSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])N1CCC1 ZINC000848982318 588424085 /nfs/dbraw/zinc/42/40/85/588424085.db2.gz FRBDNUKQIBPVDU-LBPRGKRZSA-N 2 1 238.379 1.481 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000848996417 588429023 /nfs/dbraw/zinc/42/90/23/588429023.db2.gz RVVRBQFEIJECEF-NSHDSACASA-N 2 1 238.379 1.335 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC ZINC000849000981 588430811 /nfs/dbraw/zinc/43/08/11/588430811.db2.gz KRAUVPAJIOJJRL-QWRGUYRKSA-N 2 1 228.384 1.629 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NC1CCC1)C1CC1 ZINC000849001014 588430892 /nfs/dbraw/zinc/43/08/92/588430892.db2.gz OZEXPCZRIBJXMD-UHFFFAOYSA-N 2 1 224.352 1.137 20 0 BDADMP CCc1ccc(NC(=[NH2+])NCC[NH+]2CCC2)cc1 ZINC000849014606 588436418 /nfs/dbraw/zinc/43/64/18/588436418.db2.gz BGWMTDPIKPIDBJ-UHFFFAOYSA-N 2 1 246.358 1.891 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NC2CCC2)C1 ZINC000849041175 588447976 /nfs/dbraw/zinc/44/79/76/588447976.db2.gz MJDMUPXCPMELFE-NSHDSACASA-N 2 1 238.379 1.385 20 0 BDADMP O[C@H](C[N@@H+]1C[C@@H]2CCCC[C@@H]21)C[NH+]1CCCC1 ZINC000849325812 588473106 /nfs/dbraw/zinc/47/31/06/588473106.db2.gz UFSHPOZZONUTTA-IHRRRGAJSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@H](C[N@H+]1C[C@@H]2CCCC[C@@H]21)C[NH+]1CCCC1 ZINC000849325812 588473107 /nfs/dbraw/zinc/47/31/07/588473107.db2.gz UFSHPOZZONUTTA-IHRRRGAJSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000851771946 588625831 /nfs/dbraw/zinc/62/58/31/588625831.db2.gz SKPKXJSDRRZANG-RYUDHWBXSA-N 2 1 242.363 1.021 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000851771946 588625832 /nfs/dbraw/zinc/62/58/32/588625832.db2.gz SKPKXJSDRRZANG-RYUDHWBXSA-N 2 1 242.363 1.021 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOC(F)F ZINC000851860555 588635799 /nfs/dbraw/zinc/63/57/99/588635799.db2.gz KYVKVWUGJJQKAK-UHFFFAOYSA-N 2 1 247.289 1.753 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOC(F)F ZINC000851860555 588635800 /nfs/dbraw/zinc/63/58/00/588635800.db2.gz KYVKVWUGJJQKAK-UHFFFAOYSA-N 2 1 247.289 1.753 20 0 BDADMP CCCCOC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110648705 588687330 /nfs/dbraw/zinc/68/73/30/588687330.db2.gz XSSYORTZKOKSSQ-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C1CCC1 ZINC000852743873 588698041 /nfs/dbraw/zinc/69/80/41/588698041.db2.gz MRJRCHCWRVDIOA-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852741587 588698445 /nfs/dbraw/zinc/69/84/45/588698445.db2.gz WDYDVPWJNBUOQD-RKDXNWHRSA-N 2 1 222.279 1.285 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852750173 588699802 /nfs/dbraw/zinc/69/98/02/588699802.db2.gz XJDCTDSLOYMHNQ-MNOVXSKESA-N 2 1 248.317 1.547 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1CCSC1 ZINC000863482374 589292625 /nfs/dbraw/zinc/29/26/25/589292625.db2.gz GYHQSFAOTTZKMI-NXEZZACHSA-N 2 1 212.362 1.366 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC000863484016 589293204 /nfs/dbraw/zinc/29/32/04/589293204.db2.gz GKMIVWRBORKBAP-RFQIPJPRSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@H]1C[C@@H](C[N@@H+](C)CCOCC[NH3+])CCO1 ZINC000863652178 589307434 /nfs/dbraw/zinc/30/74/34/589307434.db2.gz PGKHRXOXIOEBCX-STQMWFEESA-N 2 1 244.379 1.099 20 0 BDADMP Cc1ccc(CCC[N@@H+](C)C[C@@H](C)[NH3+])cn1 ZINC000863651410 589307596 /nfs/dbraw/zinc/30/75/96/589307596.db2.gz HQXSREVDHGHYFD-LLVKDONJSA-N 2 1 221.348 1.602 20 0 BDADMP Cc1ccc(CCC[N@H+](C)C[C@@H](C)[NH3+])cn1 ZINC000863651410 589307597 /nfs/dbraw/zinc/30/75/97/589307597.db2.gz HQXSREVDHGHYFD-LLVKDONJSA-N 2 1 221.348 1.602 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864457115 589367375 /nfs/dbraw/zinc/36/73/75/589367375.db2.gz PBJLVKUSOYVWMI-MNOVXSKESA-N 2 1 226.368 1.241 20 0 BDADMP C[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865397967 589432105 /nfs/dbraw/zinc/43/21/05/589432105.db2.gz VHYVXEPBAJDWCV-UHFFFAOYSA-N 2 1 245.248 1.852 20 0 BDADMP C[C@H](C1CC1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585204 589501764 /nfs/dbraw/zinc/50/17/64/589501764.db2.gz VMXNWGORPMTVET-KGYLQXTDSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585204 589501765 /nfs/dbraw/zinc/50/17/65/589501765.db2.gz VMXNWGORPMTVET-KGYLQXTDSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585204 589501768 /nfs/dbraw/zinc/50/17/68/589501768.db2.gz VMXNWGORPMTVET-KGYLQXTDSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585204 589501769 /nfs/dbraw/zinc/50/17/69/589501769.db2.gz VMXNWGORPMTVET-KGYLQXTDSA-N 2 1 208.349 1.811 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583724 589501925 /nfs/dbraw/zinc/50/19/25/589501925.db2.gz LJNXWAJBIAZWMS-TUAOUCFPSA-N 2 1 212.337 1.047 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583724 589501926 /nfs/dbraw/zinc/50/19/26/589501926.db2.gz LJNXWAJBIAZWMS-TUAOUCFPSA-N 2 1 212.337 1.047 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583724 589501927 /nfs/dbraw/zinc/50/19/27/589501927.db2.gz LJNXWAJBIAZWMS-TUAOUCFPSA-N 2 1 212.337 1.047 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000866665090 589509481 /nfs/dbraw/zinc/50/94/81/589509481.db2.gz SPAMCXRPFUWDTO-IHRRRGAJSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000866673826 589510683 /nfs/dbraw/zinc/51/06/83/589510683.db2.gz JLIVQHUICVRPJP-CHWSQXEVSA-N 3 1 227.396 1.422 20 0 BDADMP CCOC(=O)CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866700030 589512885 /nfs/dbraw/zinc/51/28/85/589512885.db2.gz ZCFKBVXHRSEGDB-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000866700030 589512886 /nfs/dbraw/zinc/51/28/86/589512886.db2.gz ZCFKBVXHRSEGDB-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP C1=CC[C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@@H]2C1 ZINC000866701912 589513576 /nfs/dbraw/zinc/51/35/76/589513576.db2.gz RGVLHKWWNNIOOJ-MJBXVCDLSA-N 2 1 248.370 1.405 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866703751 589513847 /nfs/dbraw/zinc/51/38/47/589513847.db2.gz LQEWNJLAVGMTNW-QWRGUYRKSA-N 2 1 214.378 1.281 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706212 589514165 /nfs/dbraw/zinc/51/41/65/589514165.db2.gz NGRBMERKKSLHGX-DGCLKSJQSA-N 2 1 228.380 1.718 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866717595 589514364 /nfs/dbraw/zinc/51/43/64/589514364.db2.gz JSGPOGINVZUTPA-NXEZZACHSA-N 2 1 234.290 1.300 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866717595 589514365 /nfs/dbraw/zinc/51/43/65/589514365.db2.gz JSGPOGINVZUTPA-NXEZZACHSA-N 2 1 234.290 1.300 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866724406 589515773 /nfs/dbraw/zinc/51/57/73/589515773.db2.gz KDAIEIWTHTWMMU-KBPBESRZSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866724406 589515774 /nfs/dbraw/zinc/51/57/74/589515774.db2.gz KDAIEIWTHTWMMU-KBPBESRZSA-N 3 1 239.407 1.722 20 0 BDADMP CC(C)([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792371 589819942 /nfs/dbraw/zinc/81/99/42/589819942.db2.gz XMGQOUJTUNOXBL-CBLAIPOGSA-N 2 1 236.319 1.261 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000872141323 589882179 /nfs/dbraw/zinc/88/21/79/589882179.db2.gz FGNXFJAEWQQCEX-UPJWGTAASA-N 2 1 238.375 1.615 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000872145448 589884026 /nfs/dbraw/zinc/88/40/26/589884026.db2.gz SPIQENHEAUHOGI-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000872145448 589884028 /nfs/dbraw/zinc/88/40/28/589884028.db2.gz SPIQENHEAUHOGI-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000872145636 589884193 /nfs/dbraw/zinc/88/41/93/589884193.db2.gz VQEFOMCMSSXLKX-VXGBXAGGSA-N 2 1 240.391 1.909 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000872145207 589884513 /nfs/dbraw/zinc/88/45/13/589884513.db2.gz PXPIFDNIWQEKCS-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000872145207 589884515 /nfs/dbraw/zinc/88/45/15/589884515.db2.gz PXPIFDNIWQEKCS-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC1CC[NH2+]CC1 ZINC000872155250 589886587 /nfs/dbraw/zinc/88/65/87/589886587.db2.gz PCSISVLOYQMIEB-UHFFFAOYSA-N 3 1 227.396 1.437 20 0 BDADMP C[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)[C@H](C)[NH3+] ZINC000873213435 589997524 /nfs/dbraw/zinc/99/75/24/589997524.db2.gz ZMOODAGUKLPHQY-DTWKUNHWSA-N 3 1 239.388 1.219 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC[NH2+]C(C)(C)C)CC[C@@H]21 ZINC000873222054 590000079 /nfs/dbraw/zinc/00/00/79/590000079.db2.gz YCVJGNOOXVYPEZ-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H](CN[C@]23CCC[C@@H]2[NH2+]CC3)CC[NH2+]1 ZINC000873231854 590003139 /nfs/dbraw/zinc/00/31/39/590003139.db2.gz SAKYRSIBWZCTDL-MQYQWHSLSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000873236004 590004578 /nfs/dbraw/zinc/00/45/78/590004578.db2.gz SRVICZSRAKKGPX-IJLUTSLNSA-N 2 1 228.405 1.717 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239224 590005416 /nfs/dbraw/zinc/00/54/16/590005416.db2.gz QBAMPSWTXGGZTJ-UKKRHICBSA-N 2 1 200.301 1.737 20 0 BDADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256215 590010873 /nfs/dbraw/zinc/01/08/73/590010873.db2.gz MUXBTGFGENATCX-MXAVVETBSA-N 2 1 247.386 1.272 20 0 BDADMP C[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000873260468 590013755 /nfs/dbraw/zinc/01/37/55/590013755.db2.gz AZNBMWQHCNGMJK-PDWCTOEPSA-N 2 1 237.391 1.247 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873267324 590015503 /nfs/dbraw/zinc/01/55/03/590015503.db2.gz BXLVAHGPSYUFJG-ZJUUUORDSA-N 2 1 236.363 1.757 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000873281392 590018450 /nfs/dbraw/zinc/01/84/50/590018450.db2.gz IKGCGBPTRGZHCF-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000873291083 590023315 /nfs/dbraw/zinc/02/33/15/590023315.db2.gz UCLMVXWUEDWVNA-VXGBXAGGSA-N 2 1 223.295 1.377 20 0 BDADMP C[C@H]1CCC[N@@H+]1CCNCC1=CCCOC1 ZINC000124789238 590085381 /nfs/dbraw/zinc/08/53/81/590085381.db2.gz AXSUBEBBKPNAAM-LBPRGKRZSA-N 2 1 224.348 1.407 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740201 590407025 /nfs/dbraw/zinc/40/70/25/590407025.db2.gz IZOTUOQDRZLJHV-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740201 590407027 /nfs/dbraw/zinc/40/70/27/590407027.db2.gz IZOTUOQDRZLJHV-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740201 590407028 /nfs/dbraw/zinc/40/70/28/590407028.db2.gz IZOTUOQDRZLJHV-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740201 590407030 /nfs/dbraw/zinc/40/70/30/590407030.db2.gz IZOTUOQDRZLJHV-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741284 590409154 /nfs/dbraw/zinc/40/91/54/590409154.db2.gz MKAOZVTZYPZFLU-WOPDTQHZSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877741284 590409157 /nfs/dbraw/zinc/40/91/57/590409157.db2.gz MKAOZVTZYPZFLU-WOPDTQHZSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877741284 590409159 /nfs/dbraw/zinc/40/91/59/590409159.db2.gz MKAOZVTZYPZFLU-WOPDTQHZSA-N 2 1 212.337 1.047 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccncc3)CC[C@H]21 ZINC000879570040 590806168 /nfs/dbraw/zinc/80/61/68/590806168.db2.gz WKABRDNFTLXTMM-LSDHHAIUSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccncc3)CC[C@H]21 ZINC000879570040 590806171 /nfs/dbraw/zinc/80/61/71/590806171.db2.gz WKABRDNFTLXTMM-LSDHHAIUSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccncc3)CC[C@H]21 ZINC000879570040 590806174 /nfs/dbraw/zinc/80/61/74/590806174.db2.gz WKABRDNFTLXTMM-LSDHHAIUSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccncc3)CC[C@H]21 ZINC000879570040 590806176 /nfs/dbraw/zinc/80/61/76/590806176.db2.gz WKABRDNFTLXTMM-LSDHHAIUSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569963 590807036 /nfs/dbraw/zinc/80/70/36/590807036.db2.gz CSCNMJDTYIBYTB-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569963 590807037 /nfs/dbraw/zinc/80/70/37/590807037.db2.gz CSCNMJDTYIBYTB-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569963 590807040 /nfs/dbraw/zinc/80/70/40/590807040.db2.gz CSCNMJDTYIBYTB-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569963 590807041 /nfs/dbraw/zinc/80/70/41/590807041.db2.gz CSCNMJDTYIBYTB-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573011 590810722 /nfs/dbraw/zinc/81/07/22/590810722.db2.gz KTEDLQDLAWLCOS-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573011 590810724 /nfs/dbraw/zinc/81/07/24/590810724.db2.gz KTEDLQDLAWLCOS-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573011 590810727 /nfs/dbraw/zinc/81/07/27/590810727.db2.gz KTEDLQDLAWLCOS-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573011 590810730 /nfs/dbraw/zinc/81/07/30/590810730.db2.gz KTEDLQDLAWLCOS-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+]([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570787 590811279 /nfs/dbraw/zinc/81/12/79/590811279.db2.gz FTVMTJHFUJUMPN-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570787 590811282 /nfs/dbraw/zinc/81/12/82/590811282.db2.gz FTVMTJHFUJUMPN-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570787 590811286 /nfs/dbraw/zinc/81/12/86/590811286.db2.gz FTVMTJHFUJUMPN-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cccnc3)CC[C@@H]21 ZINC000879578569 590817621 /nfs/dbraw/zinc/81/76/21/590817621.db2.gz UPGZNTGXTMGLSP-CABCVRRESA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccnc3)CC[C@@H]21 ZINC000879578569 590817623 /nfs/dbraw/zinc/81/76/23/590817623.db2.gz UPGZNTGXTMGLSP-CABCVRRESA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccnc3)CC[C@@H]21 ZINC000879578569 590817624 /nfs/dbraw/zinc/81/76/24/590817624.db2.gz UPGZNTGXTMGLSP-CABCVRRESA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccnc3)CC[C@@H]21 ZINC000879578569 590817626 /nfs/dbraw/zinc/81/76/26/590817626.db2.gz UPGZNTGXTMGLSP-CABCVRRESA-N 2 1 245.370 1.650 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3cccnc3)CC[C@@H]21 ZINC000879578570 590819067 /nfs/dbraw/zinc/81/90/67/590819067.db2.gz UPGZNTGXTMGLSP-GJZGRUSLSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCc3cccnc3)CC[C@@H]21 ZINC000879578570 590819069 /nfs/dbraw/zinc/81/90/69/590819069.db2.gz UPGZNTGXTMGLSP-GJZGRUSLSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCc3cccnc3)CC[C@@H]21 ZINC000879578570 590819072 /nfs/dbraw/zinc/81/90/72/590819072.db2.gz UPGZNTGXTMGLSP-GJZGRUSLSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3cccnc3)CC[C@@H]21 ZINC000879578570 590819073 /nfs/dbraw/zinc/81/90/73/590819073.db2.gz UPGZNTGXTMGLSP-GJZGRUSLSA-N 2 1 245.370 1.650 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)O1 ZINC000879583349 590821289 /nfs/dbraw/zinc/82/12/89/590821289.db2.gz XYNDMYZIHHTTEO-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)O1 ZINC000879583349 590821293 /nfs/dbraw/zinc/82/12/93/590821293.db2.gz XYNDMYZIHHTTEO-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)O1 ZINC000879583349 590821298 /nfs/dbraw/zinc/82/12/98/590821298.db2.gz XYNDMYZIHHTTEO-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP CC(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879705119 590852673 /nfs/dbraw/zinc/85/26/73/590852673.db2.gz LDYVONOHMODYEN-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880142971 590945033 /nfs/dbraw/zinc/94/50/33/590945033.db2.gz WYABWXQEBJVFQF-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880142971 590945034 /nfs/dbraw/zinc/94/50/34/590945034.db2.gz WYABWXQEBJVFQF-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880142971 590945035 /nfs/dbraw/zinc/94/50/35/590945035.db2.gz WYABWXQEBJVFQF-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP CC(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260352 590980653 /nfs/dbraw/zinc/98/06/53/590980653.db2.gz BMLZDYGEXYAOJW-LBPRGKRZSA-N 2 1 247.342 1.571 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261848 590980843 /nfs/dbraw/zinc/98/08/43/590980843.db2.gz YVKJRZPLOREXAI-OLZOCXBDSA-N 2 1 249.358 1.221 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C[C@H]1CO ZINC000880489574 591066735 /nfs/dbraw/zinc/06/67/35/591066735.db2.gz VQNXGJFCGMEPOL-ZDUSSCGKSA-N 2 1 235.331 1.204 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C[C@H]1CO ZINC000880489574 591066740 /nfs/dbraw/zinc/06/67/40/591066740.db2.gz VQNXGJFCGMEPOL-ZDUSSCGKSA-N 2 1 235.331 1.204 20 0 BDADMP Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)nc(C)[nH+]1 ZINC000129508619 591314488 /nfs/dbraw/zinc/31/44/88/591314488.db2.gz MKJVOZOMNCSYED-GXSJLCMTSA-N 2 1 220.320 1.646 20 0 BDADMP CCc1ccc(NCc2ncc[nH]2)[nH+]c1 ZINC000883385650 591639260 /nfs/dbraw/zinc/63/92/60/591639260.db2.gz PWXPFDFCQLUHJF-UHFFFAOYSA-N 2 1 202.261 1.979 20 0 BDADMP C=C/C=C\CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000883429394 591660455 /nfs/dbraw/zinc/66/04/55/591660455.db2.gz UMJICPUJCCPLRQ-RSNNXLNZSA-N 2 1 206.333 1.803 20 0 BDADMP C=C/C=C\CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000883429394 591660460 /nfs/dbraw/zinc/66/04/60/591660460.db2.gz UMJICPUJCCPLRQ-RSNNXLNZSA-N 2 1 206.333 1.803 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCOC(F)(F)F ZINC000883429824 591661482 /nfs/dbraw/zinc/66/14/82/591661482.db2.gz FWWQNRBDELGBPP-MRVPVSSYSA-N 2 1 242.285 1.876 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCCCOC ZINC000883449771 591671155 /nfs/dbraw/zinc/67/11/55/591671155.db2.gz KRZFGRPLFPBQCD-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1CCCCCOC ZINC000883449771 591671157 /nfs/dbraw/zinc/67/11/57/591671157.db2.gz KRZFGRPLFPBQCD-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP c1ncc2c(n1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000883462005 591673994 /nfs/dbraw/zinc/67/39/94/591673994.db2.gz HZVQKVXBGMFRHI-UHFFFAOYSA-N 2 1 246.358 1.224 20 0 BDADMP CCC[NH+]1CCC([NH2+]CC[S@@](=O)CC)CC1 ZINC000133454314 591797929 /nfs/dbraw/zinc/79/79/29/591797929.db2.gz QAYLIRBSTMIWBV-MRXNPFEDSA-N 2 1 246.420 1.219 20 0 BDADMP COC(CN(C)CC[C@H]1CCCC[N@H+]1C)OC ZINC000136774709 592150755 /nfs/dbraw/zinc/15/07/55/592150755.db2.gz HTXJAOAQTCBMQI-GFCCVEGCSA-N 2 1 244.379 1.412 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886345172 592212901 /nfs/dbraw/zinc/21/29/01/592212901.db2.gz UAIVAQFVSJCTHB-BETUJISGSA-N 2 1 219.332 1.923 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886345172 592212903 /nfs/dbraw/zinc/21/29/03/592212903.db2.gz UAIVAQFVSJCTHB-BETUJISGSA-N 2 1 219.332 1.923 20 0 BDADMP CCC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219266503 592220863 /nfs/dbraw/zinc/22/08/63/592220863.db2.gz LVQJRHFOFIBIBA-WTUNAVPPSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@]12CCOC2)CC(C)(C)C[NH3+] ZINC000886830908 592355062 /nfs/dbraw/zinc/35/50/62/592355062.db2.gz ZPZQLSBVGLWRSO-DGCLKSJQSA-N 2 1 226.364 1.330 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832965 592355343 /nfs/dbraw/zinc/35/53/43/592355343.db2.gz QRANYWUFSKQWBS-HZSPNIEDSA-N 2 1 236.359 1.098 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000886838391 592359092 /nfs/dbraw/zinc/35/90/92/592359092.db2.gz WTLODZFEVIKEBD-RFGFWPKPSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000886838391 592359097 /nfs/dbraw/zinc/35/90/97/592359097.db2.gz WTLODZFEVIKEBD-RFGFWPKPSA-N 2 1 236.359 1.097 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000220841116 592365548 /nfs/dbraw/zinc/36/55/48/592365548.db2.gz JJGLXWWJBRMXRZ-TUUUFIMRSA-N 2 1 224.348 1.380 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000220841116 592365552 /nfs/dbraw/zinc/36/55/52/592365552.db2.gz JJGLXWWJBRMXRZ-TUUUFIMRSA-N 2 1 224.348 1.380 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859990 592372065 /nfs/dbraw/zinc/37/20/65/592372065.db2.gz MTKZMKDEVHIIPC-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870008 592375157 /nfs/dbraw/zinc/37/51/57/592375157.db2.gz NFGOVWMITRKCJY-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872092 592376426 /nfs/dbraw/zinc/37/64/26/592376426.db2.gz IXQAPVBQCDUXFM-AWEZNQCLSA-N 2 1 248.374 1.386 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872092 592376428 /nfs/dbraw/zinc/37/64/28/592376428.db2.gz IXQAPVBQCDUXFM-AWEZNQCLSA-N 2 1 248.374 1.386 20 0 BDADMP FCCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874740 592377508 /nfs/dbraw/zinc/37/75/08/592377508.db2.gz VQINYMUBQGDYJJ-LBPRGKRZSA-N 2 1 214.328 1.812 20 0 BDADMP C[C@H](CO)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134993 592449686 /nfs/dbraw/zinc/44/96/86/592449686.db2.gz UCHRZVNFXKEILA-STQMWFEESA-N 2 1 249.358 1.221 20 0 BDADMP CO[C@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134461 592450054 /nfs/dbraw/zinc/45/00/54/592450054.db2.gz KAXHYOGAJARLKV-QWHCGFSZSA-N 2 1 249.358 1.627 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000887359142 592489806 /nfs/dbraw/zinc/48/98/06/592489806.db2.gz HPEMAEJPHUJRJQ-LBPRGKRZSA-N 2 1 238.379 1.385 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887361708 592490643 /nfs/dbraw/zinc/49/06/43/592490643.db2.gz HGYWEULPJFPQSU-VIFPVBQESA-N 2 1 248.321 1.097 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000300040928 592501277 /nfs/dbraw/zinc/50/12/77/592501277.db2.gz KAZHPWSFQQNYKK-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCSC(F)(F)F ZINC000123630168 592714394 /nfs/dbraw/zinc/71/43/94/592714394.db2.gz RFUZQAKUSXSABS-UHFFFAOYSA-N 2 1 230.299 1.781 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCSC(F)(F)F ZINC000123630168 592714400 /nfs/dbraw/zinc/71/44/00/592714400.db2.gz RFUZQAKUSXSABS-UHFFFAOYSA-N 2 1 230.299 1.781 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925703378 634379449 /nfs/dbraw/zinc/37/94/49/634379449.db2.gz DKCSTZNLFALUBQ-RVMXOQNASA-N 2 1 237.391 1.105 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H]1SC ZINC001578241704 984893492 /nfs/dbraw/zinc/89/34/92/984893492.db2.gz ISQLQRDUQOMFMW-RCWTZXSCSA-N 2 1 214.378 1.611 20 0 BDADMP CC[N@@H+](CCNC)C1CCC([NH2+]C)CC1 ZINC001246893887 988664646 /nfs/dbraw/zinc/66/46/46/988664646.db2.gz XJXUOWBESREKSS-UHFFFAOYSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000925705098 634386151 /nfs/dbraw/zinc/38/61/51/634386151.db2.gz HSNVMROVTDAQES-NEBZKDRISA-N 3 1 247.386 1.792 20 0 BDADMP C[C@H]([NH3+])[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000925705098 634386158 /nfs/dbraw/zinc/38/61/58/634386158.db2.gz HSNVMROVTDAQES-NEBZKDRISA-N 2 1 247.386 1.792 20 0 BDADMP [NH3+]CCCCCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925708214 634398792 /nfs/dbraw/zinc/39/87/92/634398792.db2.gz GYORTOVLQKBQSJ-YHQUGGNUSA-N 2 1 237.391 1.092 20 0 BDADMP C[C@H]([NH3+])[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000925708835 634405138 /nfs/dbraw/zinc/40/51/38/634405138.db2.gz NZPFWOXOEATGIV-SGMGOOAPSA-N 2 1 235.375 1.792 20 0 BDADMP C[C@H](N)[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925708835 634405142 /nfs/dbraw/zinc/40/51/42/634405142.db2.gz NZPFWOXOEATGIV-SGMGOOAPSA-N 2 1 235.375 1.792 20 0 BDADMP Nc1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925713163 634414141 /nfs/dbraw/zinc/41/41/41/634414141.db2.gz KFHSBDMMVKSTRQ-WPTOEGHWSA-N 2 1 243.354 1.355 20 0 BDADMP OC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000925713146 634414389 /nfs/dbraw/zinc/41/43/89/634414389.db2.gz JYSUSRFTUSRPLH-VXGBXAGGSA-N 2 1 224.348 1.022 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925714159 634419909 /nfs/dbraw/zinc/41/99/09/634419909.db2.gz WBPOPHQYFSUTMI-GARJFASQSA-N 2 1 226.389 1.755 20 0 BDADMP C[C@@H]([NH3+])[C@H](NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000925716566 634447627 /nfs/dbraw/zinc/44/76/27/634447627.db2.gz AACJZCUQYCLISH-SNPRPXQTSA-N 2 1 247.386 1.759 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257708511 634477201 /nfs/dbraw/zinc/47/72/01/634477201.db2.gz NEAXZHIDEMPHGG-VXGBXAGGSA-N 2 1 219.332 1.813 20 0 BDADMP CC[C@@H](C(N)=O)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335570318 634492472 /nfs/dbraw/zinc/49/24/72/634492472.db2.gz RKONCDYMQDBMOO-JTQLQIEISA-N 2 1 225.336 1.376 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H](N)C12CCC2)C1CC[NH2+]CC1 ZINC000925728251 634527508 /nfs/dbraw/zinc/52/75/08/634527508.db2.gz KFAALEJMKGBONB-DRZSPHRISA-N 2 1 237.391 1.234 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000925730337 634556081 /nfs/dbraw/zinc/55/60/81/634556081.db2.gz FENXEABNHOXQMS-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000169015349 635406903 /nfs/dbraw/zinc/40/69/03/635406903.db2.gz GNNHKDZEOAWYER-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000169015349 635406915 /nfs/dbraw/zinc/40/69/15/635406915.db2.gz GNNHKDZEOAWYER-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000062103670 635458319 /nfs/dbraw/zinc/45/83/19/635458319.db2.gz RPZYTNXXNFMPBZ-NSHDSACASA-N 2 1 208.305 1.711 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000062103670 635458325 /nfs/dbraw/zinc/45/83/25/635458325.db2.gz RPZYTNXXNFMPBZ-NSHDSACASA-N 2 1 208.305 1.711 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000062103669 635458436 /nfs/dbraw/zinc/45/84/36/635458436.db2.gz RPZYTNXXNFMPBZ-LLVKDONJSA-N 2 1 208.305 1.711 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000062103669 635458444 /nfs/dbraw/zinc/45/84/44/635458444.db2.gz RPZYTNXXNFMPBZ-LLVKDONJSA-N 2 1 208.305 1.711 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925834635 635481893 /nfs/dbraw/zinc/48/18/93/635481893.db2.gz XTMDGDGITLPDPC-XJFOESAGSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N(C)C ZINC000251119221 635526671 /nfs/dbraw/zinc/52/66/71/635526671.db2.gz QOVAJCCYEFRQNU-WOPDTQHZSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@@H]1CC[NH2+]C1 ZINC000925873884 635596719 /nfs/dbraw/zinc/59/67/19/635596719.db2.gz MQLYCRPGXPVEBU-CMPLNLGQSA-N 2 1 248.374 1.385 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H]1CCOC1 ZINC000236230761 635597168 /nfs/dbraw/zinc/59/71/68/635597168.db2.gz OJHNSXKJBLEUAU-RLAWYHOSSA-N 2 1 238.375 1.757 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000925877950 635601081 /nfs/dbraw/zinc/60/10/81/635601081.db2.gz ZNJQHOXJUUXDNW-YIYPIFLZSA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000925877950 635601082 /nfs/dbraw/zinc/60/10/82/635601082.db2.gz ZNJQHOXJUUXDNW-YIYPIFLZSA-N 2 1 239.407 1.434 20 0 BDADMP C[NH+](C)CC(C)(C)CNc1nccn2c[nH+]cc12 ZINC000891441150 631290327 /nfs/dbraw/zinc/29/03/27/631290327.db2.gz SCWSIBQNJVSLPF-UHFFFAOYSA-N 2 1 247.346 1.729 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000076647827 631301224 /nfs/dbraw/zinc/30/12/24/631301224.db2.gz NFABYFNSHKBXJN-CYBMUJFWSA-N 2 1 219.332 1.295 20 0 BDADMP C[C@@H](C1CC1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735308 631494479 /nfs/dbraw/zinc/49/44/79/631494479.db2.gz VDUNTTKIWHVFOO-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H](C1CC1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735308 631494487 /nfs/dbraw/zinc/49/44/87/631494487.db2.gz VDUNTTKIWHVFOO-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H](C1CC1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735308 631494493 /nfs/dbraw/zinc/49/44/93/631494493.db2.gz VDUNTTKIWHVFOO-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H](C1CC1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735308 631494498 /nfs/dbraw/zinc/49/44/98/631494498.db2.gz VDUNTTKIWHVFOO-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCOC3CCC3)C[C@]2(C)C1 ZINC000933733498 631495937 /nfs/dbraw/zinc/49/59/37/631495937.db2.gz KJLLPTYZEOQNSP-OCCSQVGLSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCOC3CCC3)C[C@]2(C)C1 ZINC000933733498 631495940 /nfs/dbraw/zinc/49/59/40/631495940.db2.gz KJLLPTYZEOQNSP-OCCSQVGLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCOC3CCC3)C[C@]2(C)C1 ZINC000933733498 631495945 /nfs/dbraw/zinc/49/59/45/631495945.db2.gz KJLLPTYZEOQNSP-OCCSQVGLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCOC3CCC3)C[C@]2(C)C1 ZINC000933733498 631495950 /nfs/dbraw/zinc/49/59/50/631495950.db2.gz KJLLPTYZEOQNSP-OCCSQVGLSA-N 2 1 238.375 1.439 20 0 BDADMP C(C[N@H+]1CCCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678205 631570819 /nfs/dbraw/zinc/57/08/19/631570819.db2.gz KNRACADKFNXIMT-AGUYFDCRSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@H](O)CC1 ZINC000893900729 635637273 /nfs/dbraw/zinc/63/72/73/635637273.db2.gz ACJYGJUOWLQSHX-HDJSIYSDSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000934124113 631704023 /nfs/dbraw/zinc/70/40/23/631704023.db2.gz NFULXJBNGKAMMS-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@H]1[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000934124113 631704027 /nfs/dbraw/zinc/70/40/27/631704027.db2.gz NFULXJBNGKAMMS-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@H]1[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000934124113 631704038 /nfs/dbraw/zinc/70/40/38/631704038.db2.gz NFULXJBNGKAMMS-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)Cc1cnc(C[NH2+]CCCF)s1 ZINC000308944655 631744704 /nfs/dbraw/zinc/74/47/04/631744704.db2.gz NHSIPOVHRKQFTO-UHFFFAOYSA-N 2 1 231.340 1.654 20 0 BDADMP C1=CC[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000308961823 631772562 /nfs/dbraw/zinc/77/25/62/631772562.db2.gz ZUBYDQJDRXYBKY-UPJWGTAASA-N 2 1 206.333 1.494 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309060206 631834449 /nfs/dbraw/zinc/83/44/49/631834449.db2.gz YEBYONLSHZEQHI-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309060206 631834452 /nfs/dbraw/zinc/83/44/52/631834452.db2.gz YEBYONLSHZEQHI-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000849027849 631999671 /nfs/dbraw/zinc/99/96/71/631999671.db2.gz LDZYXDBHGBUSTO-LBPRGKRZSA-N 2 1 240.395 1.631 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051919148 632011886 /nfs/dbraw/zinc/01/18/86/632011886.db2.gz TXJKBNNMAWNWEF-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CCOCC2CC2)CC[NH2+]1 ZINC000235364968 632027525 /nfs/dbraw/zinc/02/75/25/632027525.db2.gz BFNXLOKAPBPOMT-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC1CC1 ZINC000052041118 632050895 /nfs/dbraw/zinc/05/08/95/632050895.db2.gz JHJYMNBSTKCKJK-LLVKDONJSA-N 2 1 238.379 1.527 20 0 BDADMP C[C@H](CNC(=[NH2+])NC1CCCCC1)[NH+](C)C ZINC000052047750 632056835 /nfs/dbraw/zinc/05/68/35/632056835.db2.gz UEJVUCPUCUIJDI-SNVBAGLBSA-N 2 1 226.368 1.383 20 0 BDADMP Cc1cc[nH+]c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091672659 632131105 /nfs/dbraw/zinc/13/11/05/632131105.db2.gz XDUBJENYUOSWKY-CHWSQXEVSA-N 2 1 247.342 1.665 20 0 BDADMP Cc1cc[nH+]c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091672659 632131108 /nfs/dbraw/zinc/13/11/08/632131108.db2.gz XDUBJENYUOSWKY-CHWSQXEVSA-N 2 1 247.342 1.665 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926558598 632523543 /nfs/dbraw/zinc/52/35/43/632523543.db2.gz JMYVUQYYIAFKIH-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250017266 632540463 /nfs/dbraw/zinc/54/04/63/632540463.db2.gz XEBRFTRJTHTDMR-PIGZVRMJSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N(C)C ZINC000251147056 632545034 /nfs/dbraw/zinc/54/50/34/632545034.db2.gz XRJGGBGMEBIIGQ-AAVRWANBSA-N 2 1 239.407 1.447 20 0 BDADMP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000235235083 632566048 /nfs/dbraw/zinc/56/60/48/632566048.db2.gz OGOZCPSXYONHOC-HBNTYKKESA-N 2 1 214.378 1.612 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000310082812 632701294 /nfs/dbraw/zinc/70/12/94/632701294.db2.gz KQPKKVWPTIBQOL-KGLIPLIRSA-N 2 1 240.391 1.598 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCNC1=[NH+]CCN1C ZINC000310386129 632733877 /nfs/dbraw/zinc/73/38/77/632733877.db2.gz DQEVXTITOWCWPX-GFCCVEGCSA-N 2 1 238.379 1.142 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924572354 632929449 /nfs/dbraw/zinc/92/94/49/632929449.db2.gz ZSWSYIFFXAHAEO-LLVKDONJSA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924572355 632930619 /nfs/dbraw/zinc/93/06/19/632930619.db2.gz ZSWSYIFFXAHAEO-NSHDSACASA-N 2 1 228.380 1.467 20 0 BDADMP O[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000310768969 632982023 /nfs/dbraw/zinc/98/20/23/632982023.db2.gz SKYIJADSTDTDSE-CABCVRRESA-N 2 1 246.354 1.405 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)F ZINC000926781690 633058274 /nfs/dbraw/zinc/05/82/74/633058274.db2.gz XZCDVEBKPSQNTJ-ZACCUICWSA-N 2 1 214.328 1.664 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[N@@H+]1C ZINC000169001820 633153355 /nfs/dbraw/zinc/15/33/55/633153355.db2.gz LOXHLQDBYPGXPG-STQMWFEESA-N 2 1 249.358 1.533 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccnc2)CC[N@H+]1C ZINC000169001820 633153360 /nfs/dbraw/zinc/15/33/60/633153360.db2.gz LOXHLQDBYPGXPG-STQMWFEESA-N 2 1 249.358 1.533 20 0 BDADMP [NH3+]C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000306773811 635975742 /nfs/dbraw/zinc/97/57/42/635975742.db2.gz JEXPQDMQNYZUNO-MRVPVSSYSA-N 2 1 237.174 1.993 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000925525316 633903484 /nfs/dbraw/zinc/90/34/84/633903484.db2.gz BQCAWBXWUKIFOB-VXGBXAGGSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000309784864 634007348 /nfs/dbraw/zinc/00/73/48/634007348.db2.gz NTYAUNMQWNGNDE-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000309982499 634025802 /nfs/dbraw/zinc/02/58/02/634025802.db2.gz BQIRAFFTNIEDFM-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000309982499 634025804 /nfs/dbraw/zinc/02/58/04/634025804.db2.gz BQIRAFFTNIEDFM-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925559635 634039911 /nfs/dbraw/zinc/03/99/11/634039911.db2.gz ZCSVBFOJBGRUAU-STQMWFEESA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@@H](O)CN1CCCC1)C(C)(C)C ZINC000309984019 634060117 /nfs/dbraw/zinc/06/01/17/634060117.db2.gz ZGGAWFATQDOPIU-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]([N@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000309984019 634060121 /nfs/dbraw/zinc/06/01/21/634060121.db2.gz ZGGAWFATQDOPIU-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000309984019 634060124 /nfs/dbraw/zinc/06/01/24/634060124.db2.gz ZGGAWFATQDOPIU-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH2+]C1(C)C ZINC000925676480 634265715 /nfs/dbraw/zinc/26/57/15/634265715.db2.gz MIDDNORGERTOGV-STQMWFEESA-N 2 1 241.423 1.837 20 0 BDADMP COC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCCC1 ZINC000319489704 634301248 /nfs/dbraw/zinc/30/12/48/634301248.db2.gz UONRZFDPFWOKJS-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCCC1 ZINC000319489704 634301252 /nfs/dbraw/zinc/30/12/52/634301252.db2.gz UONRZFDPFWOKJS-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000925692614 634324430 /nfs/dbraw/zinc/32/44/30/634324430.db2.gz NHGZYUZJGLWNSO-NFMDPKQHSA-N 3 1 237.391 1.234 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925692525 634324489 /nfs/dbraw/zinc/32/44/89/634324489.db2.gz MACMXUOTTWHTJP-DCAQKATOSA-N 3 1 213.369 1.219 20 0 BDADMP C[C@H]([NH3+])[C@H](NCC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695346 634345013 /nfs/dbraw/zinc/34/50/13/634345013.db2.gz WAALFEVUCDRMHD-GUTXKFCHSA-N 2 1 247.386 1.664 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695346 634345019 /nfs/dbraw/zinc/34/50/19/634345019.db2.gz WAALFEVUCDRMHD-GUTXKFCHSA-N 3 1 247.386 1.664 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925701378 634374742 /nfs/dbraw/zinc/37/47/42/634374742.db2.gz YMESMUYICXQFAI-XQHKEYJVSA-N 3 1 239.407 1.480 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925701377 634374912 /nfs/dbraw/zinc/37/49/12/634374912.db2.gz YMESMUYICXQFAI-VOAKCMCISA-N 3 1 239.407 1.480 20 0 BDADMP CCc1cc(N(C)CC(C)(C)C[NH3+])nc(C)[nH+]1 ZINC000093874549 635132524 /nfs/dbraw/zinc/13/25/24/635132524.db2.gz QLQCEYZCIXJFLH-UHFFFAOYSA-N 2 1 236.363 1.769 20 0 BDADMP Cn1cnc2cc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])ccc21 ZINC000259102184 635243010 /nfs/dbraw/zinc/24/30/10/635243010.db2.gz SFTXVDHBYHCVBX-RYUDHWBXSA-N 2 1 244.342 1.543 20 0 BDADMP Cc1ccc(C[NH2+]CC2([NH3+])CC2)c(C)c1 ZINC000259151094 635248194 /nfs/dbraw/zinc/24/81/94/635248194.db2.gz SFVRXOWVDZQEJT-UHFFFAOYSA-N 2 1 204.317 1.884 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000312045130 635260767 /nfs/dbraw/zinc/26/07/67/635260767.db2.gz ULVTVDFVEJZBQG-KWQFWETISA-N 2 1 223.320 1.461 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000312045130 635260773 /nfs/dbraw/zinc/26/07/73/635260773.db2.gz ULVTVDFVEJZBQG-KWQFWETISA-N 2 1 223.320 1.461 20 0 BDADMP CC[C@@H](C)[N@H+](C)CCNc1cc(NC)[nH+]cn1 ZINC000219292440 635275708 /nfs/dbraw/zinc/27/57/08/635275708.db2.gz SSXPJHYEEMFLBK-SNVBAGLBSA-N 2 1 237.351 1.661 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNc1cc(NC)[nH+]cn1 ZINC000219292440 635275714 /nfs/dbraw/zinc/27/57/14/635275714.db2.gz SSXPJHYEEMFLBK-SNVBAGLBSA-N 2 1 237.351 1.661 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cnn(C)c2)CC[NH2+]1 ZINC000235366338 635575805 /nfs/dbraw/zinc/57/58/05/635575805.db2.gz XMTQVRCUQVIQIJ-VXGBXAGGSA-N 2 1 236.363 1.240 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCN(C)C(C)(C)C2)CC[NH2+]1 ZINC000235662086 635584434 /nfs/dbraw/zinc/58/44/34/635584434.db2.gz ROGVIVRVGUANSR-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894939429 636010030 /nfs/dbraw/zinc/01/00/30/636010030.db2.gz KOCNALOUFCNCJE-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CCCc1ccsc1 ZINC000863567846 636719424 /nfs/dbraw/zinc/71/94/24/636719424.db2.gz HDQFTPBRUQZMDK-JTQLQIEISA-N 2 1 212.362 1.960 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1ccsc1 ZINC000863567846 636719432 /nfs/dbraw/zinc/71/94/32/636719432.db2.gz HDQFTPBRUQZMDK-JTQLQIEISA-N 2 1 212.362 1.960 20 0 BDADMP COC(OC)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000079645397 636859481 /nfs/dbraw/zinc/85/94/81/636859481.db2.gz YCPVSFTUHRSPES-NSHDSACASA-N 2 1 244.379 1.456 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCCOCC1)C[NH+](C)C ZINC000926958067 636970677 /nfs/dbraw/zinc/97/06/77/636970677.db2.gz DVSBBJOFYUKWBI-QWHCGFSZSA-N 2 1 244.379 1.112 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)[C@H](C)CC)C[NH+](C)C ZINC000926962460 636974293 /nfs/dbraw/zinc/97/42/93/636974293.db2.gz MLIINZPZHMMNQI-JHJVBQTASA-N 2 1 230.396 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCSC1)C[NH+](C)C ZINC000926965146 636977096 /nfs/dbraw/zinc/97/70/96/636977096.db2.gz PYQMLFPVTMYHRJ-GHMZBOCLSA-N 2 1 232.393 1.048 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)C[C@H]1CCCCO1 ZINC000042465491 637269321 /nfs/dbraw/zinc/26/93/21/637269321.db2.gz RWDXQWCSYVKPKL-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@H]1CCCCO1 ZINC000042465491 637269327 /nfs/dbraw/zinc/26/93/27/637269327.db2.gz RWDXQWCSYVKPKL-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000903564544 637370033 /nfs/dbraw/zinc/37/00/33/637370033.db2.gz ZASLJONJAZWRKW-UPJWGTAASA-N 2 1 228.380 1.325 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903566359 637372264 /nfs/dbraw/zinc/37/22/64/637372264.db2.gz QURWTGFDVUEEHK-JSGCOSHPSA-N 2 1 248.374 1.557 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722952 637379631 /nfs/dbraw/zinc/37/96/31/637379631.db2.gz QWQVROUTYHXAOZ-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725468 637379688 /nfs/dbraw/zinc/37/96/88/637379688.db2.gz ZXSBMSPDODAUJZ-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903788224 637381745 /nfs/dbraw/zinc/38/17/45/637381745.db2.gz GKRVETWAQGIKFM-KGLIPLIRSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cccc(=O)[nH]2)CC[NH2+]1 ZINC000904442736 637411343 /nfs/dbraw/zinc/41/13/43/637411343.db2.gz GFNVALRZLYSOLM-VXGBXAGGSA-N 2 1 249.358 1.607 20 0 BDADMP C[C@H](C[NH3+])n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905056711 637588486 /nfs/dbraw/zinc/58/84/86/637588486.db2.gz DMKWPHDCPLKABA-SECBINFHSA-N 2 1 225.340 1.028 20 0 BDADMP [NH3+]C1(c2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)CC1 ZINC000905327711 637759730 /nfs/dbraw/zinc/75/97/30/637759730.db2.gz RDKNQYRAUJYBEU-BDAKNGLRSA-N 2 1 234.303 1.221 20 0 BDADMP [NH3+]C1(c2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)CC1 ZINC000905327713 637760498 /nfs/dbraw/zinc/76/04/98/637760498.db2.gz RDKNQYRAUJYBEU-IUCAKERBSA-N 2 1 234.303 1.221 20 0 BDADMP C[C@@H](Cc1[nH]cc[nH+]1)OC[C@@H]1C[NH2+]C[C@H]1C ZINC000905733255 637902543 /nfs/dbraw/zinc/90/25/43/637902543.db2.gz GBDJIQIQTSLSLI-VWYCJHECSA-N 2 1 223.320 1.213 20 0 BDADMP Cc1cccc([C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000905916105 637972357 /nfs/dbraw/zinc/97/23/57/637972357.db2.gz XXJMZJKIVWSFFL-QLFBSQMISA-N 2 1 246.354 1.180 20 0 BDADMP CCOc1ccccc1C[NH2+]C1CC([NH3+])C1 ZINC000906507995 638178712 /nfs/dbraw/zinc/17/87/12/638178712.db2.gz GNTYOICJMPCOPE-UHFFFAOYSA-N 2 1 220.316 1.665 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000906509898 638181060 /nfs/dbraw/zinc/18/10/60/638181060.db2.gz AKAWNMMDQKWPEL-UHFFFAOYSA-N 2 1 234.225 1.008 20 0 BDADMP Cc1ccc2ncc(C[NH2+]C3CC([NH3+])C3)n2c1 ZINC000906511206 638184387 /nfs/dbraw/zinc/18/43/87/638184387.db2.gz YKBAXDVFZWAAHS-UHFFFAOYSA-N 2 1 230.315 1.222 20 0 BDADMP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000906584540 638219444 /nfs/dbraw/zinc/21/94/44/638219444.db2.gz PHXVZAUUSLJBMI-MYZSUADSSA-N 2 1 246.329 1.833 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC000931279164 640133070 /nfs/dbraw/zinc/13/30/70/640133070.db2.gz ZYAVVUNFYQXDHL-WUHRBBMRSA-N 2 1 224.348 1.047 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC000931279164 640133074 /nfs/dbraw/zinc/13/30/74/640133074.db2.gz ZYAVVUNFYQXDHL-WUHRBBMRSA-N 2 1 224.348 1.047 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C1CCC1 ZINC000931281653 640133998 /nfs/dbraw/zinc/13/39/98/640133998.db2.gz VXJLCJFLFFAKPY-RFQIPJPRSA-N 2 1 238.375 1.293 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C1CCC1 ZINC000931281653 640134007 /nfs/dbraw/zinc/13/40/07/640134007.db2.gz VXJLCJFLFFAKPY-RFQIPJPRSA-N 2 1 238.375 1.293 20 0 BDADMP CO[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310809 640146435 /nfs/dbraw/zinc/14/64/35/640146435.db2.gz HZQMRELEFHCWEG-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP CO[C@@H](C)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310809 640146443 /nfs/dbraw/zinc/14/64/43/640146443.db2.gz HZQMRELEFHCWEG-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP CO[C@@H](C)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310809 640146448 /nfs/dbraw/zinc/14/64/48/640146448.db2.gz HZQMRELEFHCWEG-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP CCOCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350211 640168022 /nfs/dbraw/zinc/16/80/22/640168022.db2.gz WCAFOKCDRPHIAF-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP COC/C(C)=C/C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443448 640205416 /nfs/dbraw/zinc/20/54/16/640205416.db2.gz YEDRCFBMRBPHKC-QSTROWBPSA-N 2 1 238.375 1.463 20 0 BDADMP COC/C(C)=C/C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931443448 640205421 /nfs/dbraw/zinc/20/54/21/640205421.db2.gz YEDRCFBMRBPHKC-QSTROWBPSA-N 2 1 238.375 1.463 20 0 BDADMP COC/C(C)=C/C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931443448 640205424 /nfs/dbraw/zinc/20/54/24/640205424.db2.gz YEDRCFBMRBPHKC-QSTROWBPSA-N 2 1 238.375 1.463 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC=CC3)C[C@@H]2C1 ZINC000931441681 640207943 /nfs/dbraw/zinc/20/79/43/640207943.db2.gz MWORVLIGVYSKMD-KGLIPLIRSA-N 2 1 220.360 1.836 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC=CC3)C[C@@H]2C1 ZINC000931441681 640207946 /nfs/dbraw/zinc/20/79/46/640207946.db2.gz MWORVLIGVYSKMD-KGLIPLIRSA-N 2 1 220.360 1.836 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC=CC3)C[C@@H]2C1 ZINC000931441681 640207948 /nfs/dbraw/zinc/20/79/48/640207948.db2.gz MWORVLIGVYSKMD-KGLIPLIRSA-N 2 1 220.360 1.836 20 0 BDADMP Nc1ccnc2c1C[N@@H+](C[C@H]1CCOC1)CC2 ZINC000931512358 640242052 /nfs/dbraw/zinc/24/20/52/640242052.db2.gz XNKMFECDNFQCJW-SNVBAGLBSA-N 2 1 233.315 1.058 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](C[C@H]1CCOC1)CC2 ZINC000931512358 640242060 /nfs/dbraw/zinc/24/20/60/640242060.db2.gz XNKMFECDNFQCJW-SNVBAGLBSA-N 2 1 233.315 1.058 20 0 BDADMP COCC[C@H](C)[N@H+]1CCc2nccc(N)c2C1 ZINC000931512166 640242837 /nfs/dbraw/zinc/24/28/37/640242837.db2.gz FYFMBXSKLDYGLP-JTQLQIEISA-N 2 1 235.331 1.447 20 0 BDADMP COCC[C@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512166 640242846 /nfs/dbraw/zinc/24/28/46/640242846.db2.gz FYFMBXSKLDYGLP-JTQLQIEISA-N 2 1 235.331 1.447 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518229 640244498 /nfs/dbraw/zinc/24/44/98/640244498.db2.gz OCVBHYFNRZBFQA-WDEREUQCSA-N 2 1 247.342 1.589 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518229 640244500 /nfs/dbraw/zinc/24/45/00/640244500.db2.gz OCVBHYFNRZBFQA-WDEREUQCSA-N 2 1 247.342 1.589 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517151 640245174 /nfs/dbraw/zinc/24/51/74/640245174.db2.gz TVWFSYIACRTMTG-QWRGUYRKSA-N 2 1 247.342 1.447 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517151 640245177 /nfs/dbraw/zinc/24/51/77/640245177.db2.gz TVWFSYIACRTMTG-QWRGUYRKSA-N 2 1 247.342 1.447 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CCc2[nH+]ccc(N)c2C1 ZINC000931516651 640246434 /nfs/dbraw/zinc/24/64/34/640246434.db2.gz WWYHOFIKCMPFEV-LLVKDONJSA-N 2 1 246.358 1.116 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222027242 640450982 /nfs/dbraw/zinc/45/09/82/640450982.db2.gz VKHAWIJOKKCWGO-RHYQMDGZSA-N 2 1 228.405 1.668 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000932346144 640487077 /nfs/dbraw/zinc/48/70/77/640487077.db2.gz FUKJKCGCHIXKHW-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000932346144 640487082 /nfs/dbraw/zinc/48/70/82/640487082.db2.gz FUKJKCGCHIXKHW-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000932346144 640487095 /nfs/dbraw/zinc/48/70/95/640487095.db2.gz FUKJKCGCHIXKHW-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@@H+](CCC[NH+]1CCCCC1)CCC(N)=O ZINC000932478680 640545730 /nfs/dbraw/zinc/54/57/30/640545730.db2.gz JOKMBAIPKHDGAQ-UHFFFAOYSA-N 2 1 241.379 1.060 20 0 BDADMP CC(C)C[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000226317083 640748237 /nfs/dbraw/zinc/74/82/37/640748237.db2.gz YQHCDHPXMMXWAD-LBPRGKRZSA-N 2 1 214.353 1.077 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCOC(C)(C)C)C[C@]2(C)C1 ZINC000933737941 640760262 /nfs/dbraw/zinc/76/02/62/640760262.db2.gz VYBSSCOMYOSZAM-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCOC(C)(C)C)C[C@]2(C)C1 ZINC000933737941 640760268 /nfs/dbraw/zinc/76/02/68/640760268.db2.gz VYBSSCOMYOSZAM-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCOC(C)(C)C)C[C@]2(C)C1 ZINC000933737941 640760276 /nfs/dbraw/zinc/76/02/76/640760276.db2.gz VYBSSCOMYOSZAM-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226418779 640762555 /nfs/dbraw/zinc/76/25/55/640762555.db2.gz XKIDBSXYHJMQJA-CYBMUJFWSA-N 2 1 228.380 1.471 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226540785 640773255 /nfs/dbraw/zinc/77/32/55/640773255.db2.gz KXTHJEVRMWPTET-NEPJUHHUSA-N 2 1 214.353 1.208 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]21 ZINC000228535817 640879966 /nfs/dbraw/zinc/87/99/66/640879966.db2.gz SSFLHKJCCXDLLQ-YUSALJHKSA-N 2 1 237.372 1.702 20 0 BDADMP CC(C)(C)C[N@H+](CCO)C[C@H]1CCC[NH2+]1 ZINC000232498713 641292305 /nfs/dbraw/zinc/29/23/05/641292305.db2.gz WOAZEAIDAJLUMH-LLVKDONJSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)C[C@H]1CCC[NH2+]1 ZINC000232498713 641292313 /nfs/dbraw/zinc/29/23/13/641292313.db2.gz WOAZEAIDAJLUMH-LLVKDONJSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261553189 641445437 /nfs/dbraw/zinc/44/54/37/641445437.db2.gz SHGKIVNOEZGYBT-UCEQBCCISA-N 2 1 208.349 1.857 20 0 BDADMP CC[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042468764 641551599 /nfs/dbraw/zinc/55/15/99/641551599.db2.gz UGWIOPVDXPUDQV-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC000914436355 641705125 /nfs/dbraw/zinc/70/51/25/641705125.db2.gz TXYNQEJQMLHREU-CHWSQXEVSA-N 2 1 224.348 1.095 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH2+]C)C1(C)C ZINC000233766655 642695104 /nfs/dbraw/zinc/69/51/04/642695104.db2.gz BRAMVPZFBGCDJT-OUAUKWLOSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCCCCO)CC[N@H+]1C ZINC000182147181 642960430 /nfs/dbraw/zinc/96/04/30/642960430.db2.gz IWRQNYMTHIZSSQ-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP CC(C)NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000070946492 643086673 /nfs/dbraw/zinc/08/66/73/643086673.db2.gz MEFXTKHQZOIENB-UHFFFAOYSA-N 2 1 226.368 1.383 20 0 BDADMP C[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCCCN1 ZINC000843344396 643343241 /nfs/dbraw/zinc/34/32/41/643343241.db2.gz YYBXALKYEBPCJM-OLZOCXBDSA-N 2 1 227.396 1.626 20 0 BDADMP ClC1(Cl)C[C@@H]1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000306998181 643383076 /nfs/dbraw/zinc/38/30/76/643383076.db2.gz XURMQYZWIPQORB-IWSPIJDZSA-N 2 1 235.158 1.331 20 0 BDADMP CCOCC[N@@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015946 643522721 /nfs/dbraw/zinc/52/27/21/643522721.db2.gz DSRAQJZDOWVLHZ-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP COCCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015792 643522826 /nfs/dbraw/zinc/52/28/26/643522826.db2.gz BTMVTYFZOHWANQ-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CCOCC[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000050088018 643591757 /nfs/dbraw/zinc/59/17/57/643591757.db2.gz WADVSRCVTOFSDM-UHFFFAOYSA-N 2 1 214.353 1.616 20 0 BDADMP CCOCC[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000050088018 643591763 /nfs/dbraw/zinc/59/17/63/643591763.db2.gz WADVSRCVTOFSDM-UHFFFAOYSA-N 2 1 214.353 1.616 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221553 643649654 /nfs/dbraw/zinc/64/96/54/643649654.db2.gz HHPAYLYTWCEPQT-VXGBXAGGSA-N 2 1 213.369 1.044 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000050267899 643671432 /nfs/dbraw/zinc/67/14/32/643671432.db2.gz RKPSLVPDUPBEKF-GFCCVEGCSA-N 2 1 210.321 1.363 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269471 643672461 /nfs/dbraw/zinc/67/24/61/643672461.db2.gz NPFLSUMEJCTTDD-KGLIPLIRSA-N 2 1 238.375 1.999 20 0 BDADMP CCO[C@H](C[NH2+]C[C@H]1CC=CCC1)C[NH+](C)C ZINC000922761311 644086107 /nfs/dbraw/zinc/08/61/07/644086107.db2.gz QUJWAFNVTLBVSY-UONOGXRCSA-N 2 1 240.391 1.899 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)C1CC1)C[NH+](C)C ZINC000922757918 644086872 /nfs/dbraw/zinc/08/68/72/644086872.db2.gz NXSXBSBEUPHFHO-CMPLNLGQSA-N 2 1 214.353 1.341 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000922757880 644087703 /nfs/dbraw/zinc/08/77/03/644087703.db2.gz MZLTWNOMLDVAFQ-STQMWFEESA-N 2 1 230.396 1.979 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCCCCO ZINC000228659100 644141247 /nfs/dbraw/zinc/14/12/47/644141247.db2.gz OXVMYWUBVQFXLJ-VXGBXAGGSA-N 2 1 214.353 1.208 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000081069390 644306813 /nfs/dbraw/zinc/30/68/13/644306813.db2.gz SPEHVKRYTLRXED-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000923280933 644314092 /nfs/dbraw/zinc/31/40/92/644314092.db2.gz KHKGPZYFMKSRQK-GWCFXTLKSA-N 2 1 238.306 1.140 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923281612 644316076 /nfs/dbraw/zinc/31/60/76/644316076.db2.gz QGCMHXWGKKCCHC-LSDHHAIUSA-N 2 1 248.370 1.261 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000923285121 644318207 /nfs/dbraw/zinc/31/82/07/644318207.db2.gz ABHPJBUVBLSZQT-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923291204 644326683 /nfs/dbraw/zinc/32/66/83/644326683.db2.gz BXILEJLBTMNWTM-NWDGAFQWSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923291204 644326688 /nfs/dbraw/zinc/32/66/88/644326688.db2.gz BXILEJLBTMNWTM-NWDGAFQWSA-N 2 1 214.353 1.207 20 0 BDADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923301856 644337167 /nfs/dbraw/zinc/33/71/67/644337167.db2.gz ZDUMMGYUUIIVES-NSHDSACASA-N 2 1 212.337 1.095 20 0 BDADMP CC[N@@H+](CCc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923306751 644338111 /nfs/dbraw/zinc/33/81/11/644338111.db2.gz OFTQMSMNWATHOD-KKUMJFAQSA-N 2 1 248.370 1.402 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000923331334 644346402 /nfs/dbraw/zinc/34/64/02/644346402.db2.gz FYIHATPMNQEJSM-MVWJERBFSA-N 2 1 235.331 1.406 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000923331334 644346406 /nfs/dbraw/zinc/34/64/06/644346406.db2.gz FYIHATPMNQEJSM-MVWJERBFSA-N 2 1 235.331 1.406 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@H]21 ZINC000923330822 644350123 /nfs/dbraw/zinc/35/01/23/644350123.db2.gz CEPGNAFHQXUFHS-MRVWCRGKSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2CN(CCC[NH2+]C3CC3)C[C@H]21 ZINC000923330822 644350130 /nfs/dbraw/zinc/35/01/30/644350130.db2.gz CEPGNAFHQXUFHS-MRVWCRGKSA-N 2 1 237.391 1.188 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356027 644372528 /nfs/dbraw/zinc/37/25/28/644372528.db2.gz DOKVYUVQZUFFHL-KGLIPLIRSA-N 2 1 242.407 1.987 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923356027 644372523 /nfs/dbraw/zinc/37/25/23/644372523.db2.gz DOKVYUVQZUFFHL-KGLIPLIRSA-N 2 1 242.407 1.987 20 0 BDADMP C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC([NH3+])C1 ZINC000923363704 644376395 /nfs/dbraw/zinc/37/63/95/644376395.db2.gz YMPLVIKECGHKDI-JXQTWKCFSA-N 2 1 234.343 1.012 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356778 644376561 /nfs/dbraw/zinc/37/65/61/644376561.db2.gz ULHGJWLONJUHDK-STQMWFEESA-N 2 1 228.380 1.454 20 0 BDADMP CCOCCOCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923366967 644379201 /nfs/dbraw/zinc/37/92/01/644379201.db2.gz BRHBKGDLWTZIKB-LLVKDONJSA-N 2 1 232.368 1.003 20 0 BDADMP CCCCOC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923368590 644380625 /nfs/dbraw/zinc/38/06/25/644380625.db2.gz RVUNRQYTPXRPDI-NEPJUHHUSA-N 2 1 246.395 1.127 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCC3(CCCC3)C2)C1 ZINC000923370137 644381360 /nfs/dbraw/zinc/38/13/60/644381360.db2.gz BYRSEZBRHIWMAL-AVGNSLFASA-N 2 1 238.375 1.493 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368496 644382154 /nfs/dbraw/zinc/38/21/54/644382154.db2.gz QIPDMTJRVOVWLO-XQQFMLRXSA-N 2 1 228.380 1.739 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368496 644382156 /nfs/dbraw/zinc/38/21/56/644382156.db2.gz QIPDMTJRVOVWLO-XQQFMLRXSA-N 2 1 228.380 1.739 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923373078 644388541 /nfs/dbraw/zinc/38/85/41/644388541.db2.gz LPIUPIXBAYMFSA-LBPRGKRZSA-N 2 1 224.348 1.239 20 0 BDADMP c1cn([C@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923383423 644396009 /nfs/dbraw/zinc/39/60/09/644396009.db2.gz ZRNUXCBWBROVLY-ZDUSSCGKSA-N 2 1 249.362 1.057 20 0 BDADMP c1cn([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923383423 644396021 /nfs/dbraw/zinc/39/60/21/644396021.db2.gz ZRNUXCBWBROVLY-ZDUSSCGKSA-N 2 1 249.362 1.057 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000923395868 644402251 /nfs/dbraw/zinc/40/22/51/644402251.db2.gz WHIMVXFXPYBSIG-CQSZACIVSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)C1(F)F ZINC000923398621 644404457 /nfs/dbraw/zinc/40/44/57/644404457.db2.gz MHLLFVZYWVISIP-SSRBZLIGSA-N 2 1 248.317 1.060 20 0 BDADMP C[C@H]1C[C@@H](N)C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413584 644416747 /nfs/dbraw/zinc/41/67/47/644416747.db2.gz RBGIZTXJNBVCOP-KZWUZSNJSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@@H](N)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413584 644416748 /nfs/dbraw/zinc/41/67/48/644416748.db2.gz RBGIZTXJNBVCOP-KZWUZSNJSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413584 644416749 /nfs/dbraw/zinc/41/67/49/644416749.db2.gz RBGIZTXJNBVCOP-KZWUZSNJSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413584 644416750 /nfs/dbraw/zinc/41/67/50/644416750.db2.gz RBGIZTXJNBVCOP-KZWUZSNJSA-N 3 1 237.391 1.329 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000923426032 644419264 /nfs/dbraw/zinc/41/92/64/644419264.db2.gz BKZVXUPJCLADLO-TZMCWYRMSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923427513 644422741 /nfs/dbraw/zinc/42/27/41/644422741.db2.gz BEXJILOGNFMQLF-MGPQQGTHSA-N 2 1 242.407 1.700 20 0 BDADMP C(CC1CCC1)C[N@H+]1CCNCC[NH2+]CC1 ZINC000923461359 644446035 /nfs/dbraw/zinc/44/60/35/644446035.db2.gz WDLGKFWLAKHERC-UHFFFAOYSA-N 2 1 225.380 1.062 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C1CCCC1 ZINC000923481344 644460370 /nfs/dbraw/zinc/46/03/70/644460370.db2.gz QKJULEDYNNTYRY-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496216 644461655 /nfs/dbraw/zinc/46/16/55/644461655.db2.gz GUFFTDNJEAYKLN-NWDGAFQWSA-N 2 1 242.363 1.245 20 0 BDADMP COCCCCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495702 644463788 /nfs/dbraw/zinc/46/37/88/644463788.db2.gz FCWSKFVIZOZFCW-CHWSQXEVSA-N 2 1 228.380 1.720 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923490418 644466130 /nfs/dbraw/zinc/46/61/30/644466130.db2.gz NYRWGTZHCLTXRK-CABZTGNLSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923492128 644466901 /nfs/dbraw/zinc/46/69/01/644466901.db2.gz WCQBAUJOMBFRTJ-TZMCWYRMSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccns2)CC[C@H]1C[NH3+] ZINC000923492136 644467065 /nfs/dbraw/zinc/46/70/65/644467065.db2.gz WGEQKMQAHYPIBV-ZJUUUORDSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1csc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000086403418 644467302 /nfs/dbraw/zinc/46/73/02/644467302.db2.gz XMLNTMFRJVPMPL-ZJUUUORDSA-N 2 1 225.361 1.811 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000923491940 644468600 /nfs/dbraw/zinc/46/86/00/644468600.db2.gz VIAKSFPDYTWUKP-LPWJVIDDSA-N 2 1 226.364 1.328 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496904 644470012 /nfs/dbraw/zinc/47/00/12/644470012.db2.gz KEYGXZMTUHTESP-GRYCIOLGSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1C[NH3+] ZINC000923499459 644471801 /nfs/dbraw/zinc/47/18/01/644471801.db2.gz KZHAQRZULDTPCC-NEPJUHHUSA-N 2 1 219.332 1.498 20 0 BDADMP CCSCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500921 644474628 /nfs/dbraw/zinc/47/46/28/644474628.db2.gz RXVCPKWUQUUORN-MNOVXSKESA-N 2 1 216.394 1.656 20 0 BDADMP CCO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923515893 644479189 /nfs/dbraw/zinc/47/91/89/644479189.db2.gz LLWKXASGCSEEPY-RTXFEEFZSA-N 2 1 226.364 1.328 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923515430 644479543 /nfs/dbraw/zinc/47/95/43/644479543.db2.gz UPKBSCVMWONHMW-YUELXQCFSA-N 2 1 248.370 1.555 20 0 BDADMP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923522251 644487732 /nfs/dbraw/zinc/48/77/32/644487732.db2.gz YQHZHIKAQVBJAI-QWHCGFSZSA-N 2 1 234.318 1.867 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc(C)n1 ZINC000923522571 644487862 /nfs/dbraw/zinc/48/78/62/644487862.db2.gz WJMWNNWOKJQPAZ-QWHCGFSZSA-N 2 1 246.358 1.135 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc(C)n1 ZINC000923522571 644487867 /nfs/dbraw/zinc/48/78/67/644487867.db2.gz WJMWNNWOKJQPAZ-QWHCGFSZSA-N 2 1 246.358 1.135 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@@H]2CC2CC2)C1 ZINC000923555196 644497981 /nfs/dbraw/zinc/49/79/81/644497981.db2.gz QUQNCXLRXZZKDC-MJBXVCDLSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000089150230 644536049 /nfs/dbraw/zinc/53/60/49/644536049.db2.gz WMSHLBIWJVKXNF-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000089145772 644536370 /nfs/dbraw/zinc/53/63/70/644536370.db2.gz KCCMDXPJTQCAIL-KGLIPLIRSA-N 2 1 239.407 1.579 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000091662639 644634726 /nfs/dbraw/zinc/63/47/26/644634726.db2.gz OCOGTVGIXAUNPW-MCIONIFRSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000091662639 644634732 /nfs/dbraw/zinc/63/47/32/644634732.db2.gz OCOGTVGIXAUNPW-MCIONIFRSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000249962902 644745355 /nfs/dbraw/zinc/74/53/55/644745355.db2.gz DQRRMQIZWMGART-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)(C)[NH2+]CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000250676856 644776781 /nfs/dbraw/zinc/77/67/81/644776781.db2.gz BPOFBYPTHYYQNR-ZDUSSCGKSA-N 2 1 239.407 1.545 20 0 BDADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000796749573 644813443 /nfs/dbraw/zinc/81/34/43/644813443.db2.gz YSEKCVPOPPREMU-FQUUOJAGSA-N 2 1 237.391 1.153 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000796749573 644813447 /nfs/dbraw/zinc/81/34/47/644813447.db2.gz YSEKCVPOPPREMU-FQUUOJAGSA-N 2 1 237.391 1.153 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000796749573 644813450 /nfs/dbraw/zinc/81/34/50/644813450.db2.gz YSEKCVPOPPREMU-FQUUOJAGSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000796749573 644813456 /nfs/dbraw/zinc/81/34/56/644813456.db2.gz YSEKCVPOPPREMU-FQUUOJAGSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000796749573 644813461 /nfs/dbraw/zinc/81/34/61/644813461.db2.gz YSEKCVPOPPREMU-FQUUOJAGSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1C[NH3+] ZINC000251693910 644816587 /nfs/dbraw/zinc/81/65/87/644816587.db2.gz ILFNAAFORSEAOE-YPMHNXCESA-N 2 1 226.364 1.330 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CCCOC1 ZINC000252434807 644849762 /nfs/dbraw/zinc/84/97/62/644849762.db2.gz YOJXHQAAAFALSN-RLAWYHOSSA-N 2 1 238.375 1.757 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CCCOC1 ZINC000252434807 644849764 /nfs/dbraw/zinc/84/97/64/644849764.db2.gz YOJXHQAAAFALSN-RLAWYHOSSA-N 2 1 238.375 1.757 20 0 BDADMP CCCN1CCC([N@H+](C)CC[S@@](C)=O)CC1 ZINC000827971427 645090253 /nfs/dbraw/zinc/09/02/53/645090253.db2.gz XYPWIOFTFWUSMZ-MRXNPFEDSA-N 2 1 246.420 1.171 20 0 BDADMP CCCN1CCC([N@@H+](C)CC[S@@](C)=O)CC1 ZINC000827971427 645090255 /nfs/dbraw/zinc/09/02/55/645090255.db2.gz XYPWIOFTFWUSMZ-MRXNPFEDSA-N 2 1 246.420 1.171 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOC(F)F ZINC000852749365 645487049 /nfs/dbraw/zinc/48/70/49/645487049.db2.gz LHBNHYXTELFLAK-SECBINFHSA-N 2 1 222.279 1.429 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOC(F)F)[C@@H]1CC[NH3+] ZINC000852753652 645488625 /nfs/dbraw/zinc/48/86/25/645488625.db2.gz PXGDLKNLCYGIPX-VHSXEESVSA-N 2 1 236.306 1.675 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccnc(F)c1 ZINC000858116474 645671352 /nfs/dbraw/zinc/67/13/52/645671352.db2.gz STEXURAKYNVPPK-SNVBAGLBSA-N 2 1 225.311 1.651 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886839256 645891163 /nfs/dbraw/zinc/89/11/63/645891163.db2.gz ABIZVKMYOZGQJP-GMXVVIOVSA-N 2 1 226.364 1.376 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000886839319 645891230 /nfs/dbraw/zinc/89/12/30/645891230.db2.gz BQOJAXVTFLNYHT-MGPQQGTHSA-N 2 1 236.359 1.241 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000886839319 645891231 /nfs/dbraw/zinc/89/12/31/645891231.db2.gz BQOJAXVTFLNYHT-MGPQQGTHSA-N 2 1 236.359 1.241 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2cccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925496191 645935483 /nfs/dbraw/zinc/93/54/83/645935483.db2.gz YKAATWANVDVAFR-HZSPNIEDSA-N 2 1 245.370 1.948 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924571803 646073313 /nfs/dbraw/zinc/07/33/13/646073313.db2.gz WOOYRSXPLGJNIZ-IMRBUKKESA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](C)CC1 ZINC000924576826 646073617 /nfs/dbraw/zinc/07/36/17/646073617.db2.gz YGTZQYWLYPJZLO-TZMCWYRMSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)CO ZINC000924593457 646074471 /nfs/dbraw/zinc/07/44/71/646074471.db2.gz YTZVDIXNNXDLFI-NSHDSACASA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924704684 646092842 /nfs/dbraw/zinc/09/28/42/646092842.db2.gz GZZFSEIIXIKTGG-UONOGXRCSA-N 2 1 247.386 1.944 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCOC1 ZINC000924726214 646097310 /nfs/dbraw/zinc/09/73/10/646097310.db2.gz LUBKZDNNMLBDTD-ICIURTGMSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000924762398 646102156 /nfs/dbraw/zinc/10/21/56/646102156.db2.gz SUWPBRRXEGSCQD-DYPLGBCKSA-N 2 1 238.375 1.220 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924755416 646102653 /nfs/dbraw/zinc/10/26/53/646102653.db2.gz WFNYKZBEKRSETI-QWHCGFSZSA-N 2 1 248.374 1.859 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924755416 646102656 /nfs/dbraw/zinc/10/26/56/646102656.db2.gz WFNYKZBEKRSETI-QWHCGFSZSA-N 2 1 248.374 1.859 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)CCOC2CC2)CC1 ZINC000929470553 646130612 /nfs/dbraw/zinc/13/06/12/646130612.db2.gz MKBFFGQEWMQITD-UHFFFAOYSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C(C)(C)CO ZINC000924954521 646138871 /nfs/dbraw/zinc/13/88/71/646138871.db2.gz IWZDJDDKWWIYJK-NEPJUHHUSA-N 2 1 230.396 1.713 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOC1 ZINC000924990078 646153053 /nfs/dbraw/zinc/15/30/53/646153053.db2.gz VXYZACKYDIBEQH-FXJUQPSGSA-N 2 1 224.348 1.095 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1C[NH+]2C[C@@H]1CCC2 ZINC000925207001 646210312 /nfs/dbraw/zinc/21/03/12/646210312.db2.gz WBLHZDARJAZROP-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925207001 646210320 /nfs/dbraw/zinc/21/03/20/646210320.db2.gz WBLHZDARJAZROP-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925207001 646210329 /nfs/dbraw/zinc/21/03/29/646210329.db2.gz WBLHZDARJAZROP-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925536538 646322067 /nfs/dbraw/zinc/32/20/67/646322067.db2.gz FSSXDOLPTYGABM-WCQYABFASA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925563233 646336311 /nfs/dbraw/zinc/33/63/11/646336311.db2.gz BHGURRQVCOASRR-RWMBFGLXSA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925563233 646336315 /nfs/dbraw/zinc/33/63/15/646336315.db2.gz BHGURRQVCOASRR-RWMBFGLXSA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925562140 646336469 /nfs/dbraw/zinc/33/64/69/646336469.db2.gz VIEJQODAFLSXBA-NEPJUHHUSA-N 2 1 226.364 1.412 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000925580022 646343838 /nfs/dbraw/zinc/34/38/38/646343838.db2.gz QAQVGTZMOXICNM-GFCCVEGCSA-N 2 1 240.391 1.659 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925579351 646345112 /nfs/dbraw/zinc/34/51/12/646345112.db2.gz DHSPGPSAYPRQNX-VXGBXAGGSA-N 2 1 226.364 1.268 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925608838 646358489 /nfs/dbraw/zinc/35/84/89/646358489.db2.gz KPOJXEOPYIWHKW-LLVKDONJSA-N 2 1 224.348 1.166 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925610069 646359217 /nfs/dbraw/zinc/35/92/17/646359217.db2.gz CJBLATVGLUUURI-CMPLNLGQSA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925609346 646360487 /nfs/dbraw/zinc/36/04/87/646360487.db2.gz TVBPDIGGXICSGA-NWDGAFQWSA-N 2 1 226.364 1.412 20 0 BDADMP Cc1ncc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)s1 ZINC000925615782 646363672 /nfs/dbraw/zinc/36/36/72/646363672.db2.gz IKJVHTRQQCZHDX-JOYOIKCWSA-N 2 1 239.388 1.724 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925619965 646368386 /nfs/dbraw/zinc/36/83/86/646368386.db2.gz SIPGFZYUMPURRI-RYUDHWBXSA-N 2 1 226.364 1.268 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925649576 646388857 /nfs/dbraw/zinc/38/88/57/646388857.db2.gz LLNFIRLDOQGKPY-VXGBXAGGSA-N 2 1 228.380 1.658 20 0 BDADMP Cc1nccnc1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925673968 646403296 /nfs/dbraw/zinc/40/32/96/646403296.db2.gz FXXNAJMSRFLUMI-CMPLNLGQSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@H]1NCCC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000925672218 646403364 /nfs/dbraw/zinc/40/33/64/646403364.db2.gz UPEAFNPYUMAERC-SNPRPXQTSA-N 2 1 248.370 1.320 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925675705 646404574 /nfs/dbraw/zinc/40/45/74/646404574.db2.gz OGQPLOSUCKGUFZ-NWDGAFQWSA-N 2 1 224.348 1.286 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)OC ZINC000925677309 646404872 /nfs/dbraw/zinc/40/48/72/646404872.db2.gz SKTBQLKVYWLSGS-VXGBXAGGSA-N 2 1 226.364 1.676 20 0 BDADMP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OC ZINC000925677308 646405597 /nfs/dbraw/zinc/40/55/97/646405597.db2.gz SKTBQLKVYWLSGS-RYUDHWBXSA-N 2 1 226.364 1.676 20 0 BDADMP CC1(C[NH2+][C@@H]2C[C@@H](N)C23CCC3)CC[NH2+]CC1 ZINC000925697404 646421842 /nfs/dbraw/zinc/42/18/42/646421842.db2.gz FTJCDVVXMSZQKB-VXGBXAGGSA-N 2 1 237.391 1.236 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925697608 646421896 /nfs/dbraw/zinc/42/18/96/646421896.db2.gz YJFJHCAAYPMQNZ-WYUUTHIRSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1)[NH2+]2 ZINC000925699935 646423234 /nfs/dbraw/zinc/42/32/34/646423234.db2.gz MFYJUDCLQNKWHL-WCQYUDONSA-N 3 1 237.391 1.375 20 0 BDADMP C[C@@H](COCC1CC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925701966 646425896 /nfs/dbraw/zinc/42/58/96/646425896.db2.gz IRKDUNWWPVYSDV-WCQYABFASA-N 2 1 238.375 1.676 20 0 BDADMP Cc1ccncc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925703793 646428870 /nfs/dbraw/zinc/42/88/70/646428870.db2.gz FKLCXCLCLCFUQF-ZDUSSCGKSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925703961 646429090 /nfs/dbraw/zinc/42/90/90/646429090.db2.gz FOANOWYRGDELJM-DGCLKSJQSA-N 2 1 223.364 1.026 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925708343 646432802 /nfs/dbraw/zinc/43/28/02/646432802.db2.gz SJJITEYDXLQMAY-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)CC(F)F ZINC000925734467 646458943 /nfs/dbraw/zinc/45/89/43/646458943.db2.gz RHKOCECDWILYEW-QMMMGPOBSA-N 2 1 206.280 1.619 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cc(N)ccn2)C1 ZINC000925768096 646468639 /nfs/dbraw/zinc/46/86/39/646468639.db2.gz SKFHIQPGRJKLOY-VXGBXAGGSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000925774196 646473007 /nfs/dbraw/zinc/47/30/07/646473007.db2.gz SJPSNUCYFZKURM-BDAKNGLRSA-N 2 1 223.320 1.767 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925811170 646490275 /nfs/dbraw/zinc/49/02/75/646490275.db2.gz CMKCXMRDUMZPPW-IJLUTSLNSA-N 2 1 249.358 1.459 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccnnc1 ZINC000925814764 646492243 /nfs/dbraw/zinc/49/22/43/646492243.db2.gz PPTUNWCNLPLQBS-CMPLNLGQSA-N 2 1 243.314 1.339 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1(Cl)CC1 ZINC000925814793 646492320 /nfs/dbraw/zinc/49/23/20/646492320.db2.gz QAGZFGIEMDACGA-ZJUUUORDSA-N 2 1 239.750 1.947 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829679 646499803 /nfs/dbraw/zinc/49/98/03/646499803.db2.gz FUAFYKBMCLVURI-XHJNMGKDSA-N 2 1 236.359 1.308 20 0 BDADMP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])ccc2O1 ZINC000925829302 646500081 /nfs/dbraw/zinc/50/00/81/646500081.db2.gz AUYAYHIXWVEFGL-SWHYSGLUSA-N 2 1 246.354 1.979 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839679 646506226 /nfs/dbraw/zinc/50/62/26/646506226.db2.gz JAJIWZLSKBEOMF-IGQOVBAYSA-N 3 1 237.391 1.236 20 0 BDADMP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)[C@H]1CCC[NH2+]1 ZINC000925892452 646535614 /nfs/dbraw/zinc/53/56/14/646535614.db2.gz BJJLZKSGGQCIJF-JHJVBQTASA-N 2 1 238.375 1.818 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC(O)C1 ZINC000926289535 646613374 /nfs/dbraw/zinc/61/33/74/646613374.db2.gz WPDXECDHYPHADP-HPCMXSDISA-N 2 1 238.375 1.077 20 0 BDADMP Cn1ncc(Cl)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723679430 711533959 /nfs/dbraw/zinc/53/39/59/711533959.db2.gz DIZAJIGYJGGTFP-VIFPVBQESA-N 2 1 242.754 1.244 20 0 BDADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000723782531 711537222 /nfs/dbraw/zinc/53/72/22/711537222.db2.gz LVFSUFSTJFENHK-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]([NH3+])CC(F)F)C1 ZINC000309060911 711586243 /nfs/dbraw/zinc/58/62/43/711586243.db2.gz VTQMYTOVBPTCAX-OPRDCNLKSA-N 2 1 220.307 1.947 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000721926795 711694646 /nfs/dbraw/zinc/69/46/46/711694646.db2.gz INUOLFHLWQDZTH-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000721912312 711917315 /nfs/dbraw/zinc/91/73/15/711917315.db2.gz LZDLMVPUNDTLHZ-STQMWFEESA-N 2 1 228.380 1.576 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000721918288 711919656 /nfs/dbraw/zinc/91/96/56/711919656.db2.gz DCRXZPULRQKHLJ-FIQHERPVSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000700405581 711992565 /nfs/dbraw/zinc/99/25/65/711992565.db2.gz TYHYCWICEOZZOV-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000700405581 711992566 /nfs/dbraw/zinc/99/25/66/711992566.db2.gz TYHYCWICEOZZOV-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CCCF)CC[NH2+]1 ZINC000703161287 712067312 /nfs/dbraw/zinc/06/73/12/712067312.db2.gz AJTFIUYKWMEGCW-QWRGUYRKSA-N 2 1 202.317 1.666 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CC(OC)C1 ZINC000703845805 712090479 /nfs/dbraw/zinc/09/04/79/712090479.db2.gz UFVNWHKRRHFFFK-CXQJBGSLSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CC(OC)C1 ZINC000703845805 712090481 /nfs/dbraw/zinc/09/04/81/712090481.db2.gz UFVNWHKRRHFFFK-CXQJBGSLSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC1CC(OC)C1 ZINC000703870667 712092034 /nfs/dbraw/zinc/09/20/34/712092034.db2.gz ZSOZUYNXPBLADX-CPCZMJQVSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CC1CC(OC)C1 ZINC000703870667 712092035 /nfs/dbraw/zinc/09/20/35/712092035.db2.gz ZSOZUYNXPBLADX-CPCZMJQVSA-N 2 1 226.364 1.485 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000705489496 712132223 /nfs/dbraw/zinc/13/22/23/712132223.db2.gz JLKBVYDKVIBLKB-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000708323452 712187269 /nfs/dbraw/zinc/18/72/69/712187269.db2.gz NBRMOURLRDHOKP-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP CCC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000708991064 712205113 /nfs/dbraw/zinc/20/51/13/712205113.db2.gz LHTYGNLICSUFFO-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H](O)CCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709772391 712220951 /nfs/dbraw/zinc/22/09/51/712220951.db2.gz IWOUACCEHIFKDG-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccns1 ZINC000709966609 712235363 /nfs/dbraw/zinc/23/53/63/712235363.db2.gz JTHMPLKCRGJIAO-NXEZZACHSA-N 2 1 225.361 1.497 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccns1 ZINC000709966609 712235366 /nfs/dbraw/zinc/23/53/66/712235366.db2.gz JTHMPLKCRGJIAO-NXEZZACHSA-N 2 1 225.361 1.497 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)C1 ZINC000710326353 712251801 /nfs/dbraw/zinc/25/18/01/712251801.db2.gz VYJRAGPINRDKJR-REWJHTLYSA-N 2 1 240.391 1.731 20 0 BDADMP C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000711534873 712309926 /nfs/dbraw/zinc/30/99/26/712309926.db2.gz NMLSMIWYXFHNTF-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000713465240 712460919 /nfs/dbraw/zinc/46/09/19/712460919.db2.gz KAWIYPDBOIVJJS-SNVBAGLBSA-N 2 1 209.293 1.154 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000713465240 712460920 /nfs/dbraw/zinc/46/09/20/712460920.db2.gz KAWIYPDBOIVJJS-SNVBAGLBSA-N 2 1 209.293 1.154 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000714373365 712484356 /nfs/dbraw/zinc/48/43/56/712484356.db2.gz CFNKDSPHLQACIJ-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000714373365 712484357 /nfs/dbraw/zinc/48/43/57/712484357.db2.gz CFNKDSPHLQACIJ-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000714612221 712488272 /nfs/dbraw/zinc/48/82/72/712488272.db2.gz DXINWFGVKJIKPY-BJDJZHNGSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000389731214 712690312 /nfs/dbraw/zinc/69/03/12/712690312.db2.gz PSXKJRFHWSNDOB-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000389731214 712690313 /nfs/dbraw/zinc/69/03/13/712690313.db2.gz PSXKJRFHWSNDOB-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000038077989 712805563 /nfs/dbraw/zinc/80/55/63/712805563.db2.gz LWVMXLSHFZGOLM-GFCCVEGCSA-N 2 1 220.316 1.476 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC000719571304 712810922 /nfs/dbraw/zinc/81/09/22/712810922.db2.gz SBVQACKUBZBOGD-PWSUYJOCSA-N 2 1 205.305 1.316 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000380392062 712900493 /nfs/dbraw/zinc/90/04/93/712900493.db2.gz CQCJBQUORRXEPJ-UPJWGTAASA-N 2 1 238.375 1.031 20 0 BDADMP C[C@H](C1CC1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380466969 712900832 /nfs/dbraw/zinc/90/08/32/712900832.db2.gz ZTFLLUBMKDEMPX-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](C1CC1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380466969 712900833 /nfs/dbraw/zinc/90/08/33/712900833.db2.gz ZTFLLUBMKDEMPX-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H](C1CC1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380466965 712901179 /nfs/dbraw/zinc/90/11/79/712901179.db2.gz ZTFLLUBMKDEMPX-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380466965 712901180 /nfs/dbraw/zinc/90/11/80/712901180.db2.gz ZTFLLUBMKDEMPX-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)=CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000393908986 710823840 /nfs/dbraw/zinc/82/38/40/710823840.db2.gz QWMZRIUGZYVBTC-OBPIAQAESA-N 2 1 206.333 1.539 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@@H](C)O1 ZINC000384865236 710998953 /nfs/dbraw/zinc/99/89/53/710998953.db2.gz FCWJPDYLFWPLQY-DPGGOLNLSA-N 2 1 236.359 1.138 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000384075602 710988935 /nfs/dbraw/zinc/98/89/35/710988935.db2.gz RBZOEXFVHLZMBI-FVCCEPFGSA-N 2 1 210.365 1.962 20 0 BDADMP CC[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000384165377 710990752 /nfs/dbraw/zinc/99/07/52/710990752.db2.gz RBZOEXFVHLZMBI-NDBYEHHHSA-N 2 1 210.365 1.962 20 0 BDADMP CC/C=C\C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000384743687 710996031 /nfs/dbraw/zinc/99/60/31/710996031.db2.gz MILDLNNLRKNZPQ-RKSQZRLBSA-N 2 1 206.333 1.539 20 0 BDADMP CC1(C)CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000389218697 711073521 /nfs/dbraw/zinc/07/35/21/711073521.db2.gz LZJZPBFLPRQMSZ-MRVPVSSYSA-N 2 1 206.280 1.843 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000389218697 711073525 /nfs/dbraw/zinc/07/35/25/711073525.db2.gz LZJZPBFLPRQMSZ-MRVPVSSYSA-N 2 1 206.280 1.843 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCCCO)C1 ZINC000389611022 711082767 /nfs/dbraw/zinc/08/27/67/711082767.db2.gz DKRWOJPAWDXNLS-GFCCVEGCSA-N 2 1 214.353 1.210 20 0 BDADMP C[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000390295774 711111693 /nfs/dbraw/zinc/11/16/93/711111693.db2.gz APMSCVUHTCHCQV-HIFRSBDPSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000390295774 711111696 /nfs/dbraw/zinc/11/16/96/711111696.db2.gz APMSCVUHTCHCQV-HIFRSBDPSA-N 2 1 248.370 1.872 20 0 BDADMP CO[C@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392948814 711155417 /nfs/dbraw/zinc/15/54/17/711155417.db2.gz VHZKVGDBFIWYMG-STQMWFEESA-N 2 1 224.348 1.405 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC(C)(C)C1 ZINC000395400681 711209641 /nfs/dbraw/zinc/20/96/41/711209641.db2.gz GMNNIXCBMINUDI-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC(C)(C)C1 ZINC000395400681 711209645 /nfs/dbraw/zinc/20/96/45/711209645.db2.gz GMNNIXCBMINUDI-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000395418637 711209843 /nfs/dbraw/zinc/20/98/43/711209843.db2.gz KZQRBLSACVFVHE-UONOGXRCSA-N 2 1 248.374 1.041 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)OC ZINC000396549622 711354019 /nfs/dbraw/zinc/35/40/19/711354019.db2.gz DGAXOYFPMMRUMD-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000396592733 711354591 /nfs/dbraw/zinc/35/45/91/711354591.db2.gz UNNCKVRBVNQBID-OBJOEFQTSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1nccs1 ZINC000396586564 711356376 /nfs/dbraw/zinc/35/63/76/711356376.db2.gz HURBMGHXMWMINT-GHMZBOCLSA-N 2 1 239.388 1.806 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000396576467 711357269 /nfs/dbraw/zinc/35/72/69/711357269.db2.gz CPYLXWHXYXOPIV-NWDGAFQWSA-N 2 1 226.364 1.269 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000396594319 711358848 /nfs/dbraw/zinc/35/88/48/711358848.db2.gz KWJYMUBNVVLUMH-STQMWFEESA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000396622795 711360591 /nfs/dbraw/zinc/36/05/91/711360591.db2.gz VKCVAJFYPHHHAF-NWDGAFQWSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C[NH2+]1 ZINC000398989355 711417624 /nfs/dbraw/zinc/41/76/24/711417624.db2.gz JLSJACCNWDOZPL-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP C[N@@H+](CCC[NH3+])CC[C@@H]1CC1(Cl)Cl ZINC000399270090 711426362 /nfs/dbraw/zinc/42/63/62/711426362.db2.gz UAKHGSWWWCBSJJ-MRVPVSSYSA-N 2 1 225.163 1.851 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@@H](O)CN1CCCC1 ZINC000381270083 710614352 /nfs/dbraw/zinc/61/43/52/710614352.db2.gz VGTHEOFTZROOPF-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000381270083 710614355 /nfs/dbraw/zinc/61/43/55/710614355.db2.gz VGTHEOFTZROOPF-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000381270083 710614357 /nfs/dbraw/zinc/61/43/57/710614357.db2.gz VGTHEOFTZROOPF-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP COC[C@@H](C[N@@H+](C)CCC[NH3+])C(C)C ZINC000721965364 710695510 /nfs/dbraw/zinc/69/55/10/710695510.db2.gz QFIBQAWPKUYCBT-LLVKDONJSA-N 2 1 202.342 1.186 20 0 BDADMP CCC[N@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000389821895 711091295 /nfs/dbraw/zinc/09/12/95/711091295.db2.gz UDBQRIUGHASGAT-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CCSCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396688163 711364813 /nfs/dbraw/zinc/36/48/13/711364813.db2.gz YBJRIPNRBYGGDZ-GHMZBOCLSA-N 2 1 216.394 1.860 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396668658 711362412 /nfs/dbraw/zinc/36/24/12/711362412.db2.gz PTYNHDWCXHOAJJ-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP Cc1nc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)cs1 ZINC000396673916 711365318 /nfs/dbraw/zinc/36/53/18/711365318.db2.gz RVYDEJFICNANTD-SKDRFNHKSA-N 2 1 239.388 1.724 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3(O)CCC3)C[C@@H]2C1 ZINC000396797377 711370698 /nfs/dbraw/zinc/37/06/98/711370698.db2.gz SUISLBREMTZBOJ-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3(O)CCC3)C[C@@H]2C1 ZINC000396797377 711370705 /nfs/dbraw/zinc/37/07/05/711370705.db2.gz SUISLBREMTZBOJ-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3(O)CCC3)C[C@@H]2C1 ZINC000396797377 711370709 /nfs/dbraw/zinc/37/07/09/711370709.db2.gz SUISLBREMTZBOJ-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[C@@H]1[C@H](C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000399617226 711433038 /nfs/dbraw/zinc/43/30/38/711433038.db2.gz RVNUMCBTDMTIIL-YIYPIFLZSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1[C@H](C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000399617226 711433039 /nfs/dbraw/zinc/43/30/39/711433039.db2.gz RVNUMCBTDMTIIL-YIYPIFLZSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CCCCCC[NH3+] ZINC000385832736 711455732 /nfs/dbraw/zinc/45/57/32/711455732.db2.gz LYDQVZSYUMXFNX-LLVKDONJSA-N 2 1 202.342 1.208 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc2c(c1)CCCO2 ZINC000084529873 711487995 /nfs/dbraw/zinc/48/79/95/711487995.db2.gz YCDIHTRYSLGOPU-UHFFFAOYSA-N 2 1 234.343 1.792 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723626650 711526806 /nfs/dbraw/zinc/52/68/06/711526806.db2.gz CFIAJVIQEIOQRL-NOOOWODRSA-N 2 1 212.337 1.128 20 0 BDADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723647895 711529830 /nfs/dbraw/zinc/52/98/30/711529830.db2.gz SIYGGLDMNWIWJW-XJFOESAGSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713681 711535319 /nfs/dbraw/zinc/53/53/19/711535319.db2.gz XITKVNZDOJCZLD-WDEREUQCSA-N 2 1 220.320 1.208 20 0 BDADMP CCCCOC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893927 711543780 /nfs/dbraw/zinc/54/37/80/711543780.db2.gz GJHWGVCIFFANJR-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892690 711544451 /nfs/dbraw/zinc/54/44/51/711544451.db2.gz UVIJAVSPYKVOAW-CHWSQXEVSA-N 2 1 233.359 1.807 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000724155357 711565544 /nfs/dbraw/zinc/56/55/44/711565544.db2.gz LRQUREOSVXRWOZ-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[C@H]2CCC[N@H+]3C)c(C)[nH+]1 ZINC000724791558 711614888 /nfs/dbraw/zinc/61/48/88/711614888.db2.gz YIZDHLBCXFAUTD-UONOGXRCSA-N 2 1 248.374 1.695 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(C)[nH+]1 ZINC000724791558 711614890 /nfs/dbraw/zinc/61/48/90/711614890.db2.gz YIZDHLBCXFAUTD-UONOGXRCSA-N 2 1 248.374 1.695 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@H]1O ZINC000926548629 711636317 /nfs/dbraw/zinc/63/63/17/711636317.db2.gz AVRLBJWZIAWGJH-UKIXVXPJSA-N 2 1 238.375 1.077 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925718158 711714230 /nfs/dbraw/zinc/71/42/30/711714230.db2.gz XCSQOHWTUMYGSY-QWHCGFSZSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925786711 711751118 /nfs/dbraw/zinc/75/11/18/711751118.db2.gz VFMDMHDRLKGXNK-LPWJVIDDSA-N 2 1 240.391 1.776 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)CC[C@H]21 ZINC000879580833 711770515 /nfs/dbraw/zinc/77/05/15/711770515.db2.gz UZKDDXJPSOZTAR-JHJVBQTASA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C(C)(C)C)CC[C@H]21 ZINC000879580833 711770516 /nfs/dbraw/zinc/77/05/16/711770516.db2.gz UZKDDXJPSOZTAR-JHJVBQTASA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C(C)(C)C)CC[C@H]21 ZINC000879580833 711770519 /nfs/dbraw/zinc/77/05/19/711770519.db2.gz UZKDDXJPSOZTAR-JHJVBQTASA-N 2 1 240.391 1.419 20 0 BDADMP COC[C@@H](C[N@@H+](C)C[C@@H](C)[NH3+])C(C)C ZINC000721962568 711843024 /nfs/dbraw/zinc/84/30/24/711843024.db2.gz HKAUGKIRSKGWAQ-GHMZBOCLSA-N 2 1 202.342 1.184 20 0 BDADMP C[NH2+][C@@H]1CC[N@H+](C[C@H](COC)C(C)C)C1 ZINC000721965875 711845496 /nfs/dbraw/zinc/84/54/96/711845496.db2.gz RBPQFGWVVPDVAR-VXGBXAGGSA-N 2 1 214.353 1.199 20 0 BDADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC000721965875 711845497 /nfs/dbraw/zinc/84/54/97/711845497.db2.gz RBPQFGWVVPDVAR-VXGBXAGGSA-N 2 1 214.353 1.199 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721913913 711918448 /nfs/dbraw/zinc/91/84/48/711918448.db2.gz QQKQFULMHPWAHT-MJBXVCDLSA-N 2 1 242.407 1.964 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC000721914737 711918464 /nfs/dbraw/zinc/91/84/64/711918464.db2.gz SJVJJXTZBNYODV-CHWSQXEVSA-N 2 1 228.380 1.446 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H](OC)C1 ZINC000721920609 711937240 /nfs/dbraw/zinc/93/72/40/711937240.db2.gz UFVNWHKRRHFFFK-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H](OC)C1 ZINC000721920609 711937242 /nfs/dbraw/zinc/93/72/42/711937242.db2.gz UFVNWHKRRHFFFK-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000721927934 711937888 /nfs/dbraw/zinc/93/78/88/711937888.db2.gz NRPWLRHAHWDUOA-FQUUOJAGSA-N 2 1 238.375 1.472 20 0 BDADMP Cn1c(Cl)cnc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000700255672 711989438 /nfs/dbraw/zinc/98/94/38/711989438.db2.gz UFXGGIYEOWAODH-VIFPVBQESA-N 2 1 242.754 1.244 20 0 BDADMP Cn1c(Cl)cnc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000700255672 711989440 /nfs/dbraw/zinc/98/94/40/711989440.db2.gz UFXGGIYEOWAODH-VIFPVBQESA-N 2 1 242.754 1.244 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405965 711991985 /nfs/dbraw/zinc/99/19/85/711991985.db2.gz UOCVIOKPQWZAEK-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](Cc1cccnc1)C[C@H]1CCCC[NH2+]C1 ZINC000700402502 711992398 /nfs/dbraw/zinc/99/23/98/711992398.db2.gz COCUVKWIUBHTOE-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCCC[NH2+]C1 ZINC000700402502 711992400 /nfs/dbraw/zinc/99/24/00/711992400.db2.gz COCUVKWIUBHTOE-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP C[C@H](CC[NH2+]Cc1ccncc1)[NH+](C)C ZINC000700488078 711994529 /nfs/dbraw/zinc/99/45/29/711994529.db2.gz BJBMYJOJRHLOSI-LLVKDONJSA-N 2 1 207.321 1.511 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCO[C@@H](CCF)C1 ZINC000700557686 711997089 /nfs/dbraw/zinc/99/70/89/711997089.db2.gz WVKDAZFRSXMZCA-ZDUSSCGKSA-N 2 1 246.370 1.956 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CO[C@H]1C ZINC000700791415 712005304 /nfs/dbraw/zinc/00/53/04/712005304.db2.gz KDHXTAOFFCFRCM-FQUUOJAGSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@@H]1C ZINC000700791419 712005427 /nfs/dbraw/zinc/00/54/27/712005427.db2.gz KDHXTAOFFCFRCM-RFGFWPKPSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)n1 ZINC000702097344 712038933 /nfs/dbraw/zinc/03/89/33/712038933.db2.gz LQYRKYJGMRKICD-UONOGXRCSA-N 2 1 248.374 1.041 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)n1 ZINC000702097344 712038934 /nfs/dbraw/zinc/03/89/34/712038934.db2.gz LQYRKYJGMRKICD-UONOGXRCSA-N 2 1 248.374 1.041 20 0 BDADMP COC1CC(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C1 ZINC000703390575 712075525 /nfs/dbraw/zinc/07/55/25/712075525.db2.gz QCRJBFAYCGKKMU-BPCQOVAHSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccsc1)C2 ZINC000703550649 712078825 /nfs/dbraw/zinc/07/88/25/712078825.db2.gz UDLWXMKUEUIRLA-NWDGAFQWSA-N 2 1 222.357 1.789 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccsc1)C2 ZINC000703550649 712078826 /nfs/dbraw/zinc/07/88/26/712078826.db2.gz UDLWXMKUEUIRLA-NWDGAFQWSA-N 2 1 222.357 1.789 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000703549190 712078927 /nfs/dbraw/zinc/07/89/27/712078927.db2.gz GTXRMTGVTGPBDN-RRFJBIMHSA-N 2 1 246.354 1.261 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000703549190 712078928 /nfs/dbraw/zinc/07/89/28/712078928.db2.gz GTXRMTGVTGPBDN-RRFJBIMHSA-N 2 1 246.354 1.261 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1CC=CC1)C2 ZINC000703595221 712080645 /nfs/dbraw/zinc/08/06/45/712080645.db2.gz JEQSAMHRRKMMHY-QWHCGFSZSA-N 2 1 206.333 1.494 20 0 BDADMP COC1CC(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000703851320 712090507 /nfs/dbraw/zinc/09/05/07/712090507.db2.gz NYWDMLKDWBVMFV-TXTTUAKNSA-N 2 1 224.348 1.081 20 0 BDADMP C(C[C@@H]1CCSC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000704840332 712118979 /nfs/dbraw/zinc/11/89/79/712118979.db2.gz XDQIOEUHOXKRPT-NXEZZACHSA-N 2 1 200.351 1.081 20 0 BDADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc[nH+]cc1CO ZINC000705128921 712122469 /nfs/dbraw/zinc/12/24/69/712122469.db2.gz OSLVTZBSVMLHPT-LBPRGKRZSA-N 2 1 249.358 1.352 20 0 BDADMP CN(C[C@H]([NH3+])CC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000705138801 712123122 /nfs/dbraw/zinc/12/31/22/712123122.db2.gz RQCGTQLMUAVMTH-WDEREUQCSA-N 2 1 249.349 1.243 20 0 BDADMP CSC1CC([NH2+]C2CC[NH+](C)CC2)C1 ZINC000706844227 712157743 /nfs/dbraw/zinc/15/77/43/712157743.db2.gz ILSQSYCNBFRTSX-UHFFFAOYSA-N 2 1 214.378 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@H]1C[NH3+] ZINC000708080685 712180835 /nfs/dbraw/zinc/18/08/35/712180835.db2.gz BINNJIXDTLLJEG-XHJNMGKDSA-N 2 1 238.375 1.471 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000708285128 712185668 /nfs/dbraw/zinc/18/56/68/712185668.db2.gz DZCZMTXJUXQPFY-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708337504 712189485 /nfs/dbraw/zinc/18/94/85/712189485.db2.gz NMBQETBYSUJPRI-WOPDTQHZSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000709034116 712205855 /nfs/dbraw/zinc/20/58/55/712205855.db2.gz JLYQLRHLENLJKP-WISYIIOYSA-N 2 1 212.337 1.081 20 0 BDADMP COCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000709285905 712219282 /nfs/dbraw/zinc/21/92/82/712219282.db2.gz QQLJPQCYWUSPIB-MNOVXSKESA-N 2 1 212.337 1.143 20 0 BDADMP C[NH2+]CCC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709629929 712225635 /nfs/dbraw/zinc/22/56/35/712225635.db2.gz NYTXFMQHUPTMNG-VIFPVBQESA-N 2 1 224.270 1.870 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709629929 712225636 /nfs/dbraw/zinc/22/56/36/712225636.db2.gz NYTXFMQHUPTMNG-VIFPVBQESA-N 2 1 224.270 1.870 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CCCO1)C2 ZINC000709828351 712228591 /nfs/dbraw/zinc/22/85/91/712228591.db2.gz UVODKOZETDKPGE-QNWHQSFQSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2ccns2)CC[N@H+]1C ZINC000709826012 712228968 /nfs/dbraw/zinc/22/89/68/712228968.db2.gz OSWSUXXEHZAVER-GHMZBOCLSA-N 2 1 239.388 1.758 20 0 BDADMP Cn1nccc1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000710012317 712240528 /nfs/dbraw/zinc/24/05/28/712240528.db2.gz AEVJGAUHBASLLA-AWEZNQCLSA-N 2 1 248.374 1.038 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)C(F)(F)F ZINC000710705106 712254622 /nfs/dbraw/zinc/25/46/22/712254622.db2.gz HZXXMIVGFSAXIW-SECBINFHSA-N 2 1 242.285 1.361 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000710724971 712255391 /nfs/dbraw/zinc/25/53/91/712255391.db2.gz POOJYBHONLWVPL-CQSZACIVSA-N 2 1 239.407 1.674 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1cc[nH]n1 ZINC000710804954 712257449 /nfs/dbraw/zinc/25/74/49/712257449.db2.gz OXMBJTHBKPHQML-UHFFFAOYSA-N 2 1 210.325 1.361 20 0 BDADMP Cc1cnc(C[N@H+](C)CCCCCC[NH3+])o1 ZINC000710832775 712258117 /nfs/dbraw/zinc/25/81/17/712258117.db2.gz HUCVYFAZWZKMRP-UHFFFAOYSA-N 2 1 225.336 1.934 20 0 BDADMP Cc1cnc(C[N@@H+](C)CCCCCC[NH3+])o1 ZINC000710832775 712258120 /nfs/dbraw/zinc/25/81/20/712258120.db2.gz HUCVYFAZWZKMRP-UHFFFAOYSA-N 2 1 225.336 1.934 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000711247443 712291395 /nfs/dbraw/zinc/29/13/95/712291395.db2.gz FENXEABNHOXQMS-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711734115 712320655 /nfs/dbraw/zinc/32/06/55/712320655.db2.gz YHZCOBCERANOFQ-MNOVXSKESA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923435004 712322235 /nfs/dbraw/zinc/32/22/35/712322235.db2.gz CUNQWPPCVADDEK-YYHQMBLXSA-N 2 1 225.380 1.185 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOC1CC1 ZINC000711755117 712324811 /nfs/dbraw/zinc/32/48/11/712324811.db2.gz WRJNVZSAJSNBHQ-NSHDSACASA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOC3CC3)C[C@H]21 ZINC000711759909 712326380 /nfs/dbraw/zinc/32/63/80/712326380.db2.gz RDTWSYXHIUGQJA-CYZMBNFOSA-N 2 1 224.348 1.225 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712323758 712396743 /nfs/dbraw/zinc/39/67/43/712396743.db2.gz QNFIFKCQABDPAX-FQUUOJAGSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712323758 712396745 /nfs/dbraw/zinc/39/67/45/712396745.db2.gz QNFIFKCQABDPAX-FQUUOJAGSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712323758 712396746 /nfs/dbraw/zinc/39/67/46/712396746.db2.gz QNFIFKCQABDPAX-FQUUOJAGSA-N 2 1 238.375 1.173 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCc2cccnc21)C[NH+](C)C ZINC000379789369 712399487 /nfs/dbraw/zinc/39/94/87/712399487.db2.gz JRAQZHTWHNPCFZ-DGCLKSJQSA-N 2 1 233.359 1.856 20 0 BDADMP C[N@H+]1CC[C@@H]1CNc1cc[nH+]c2ccccc12 ZINC000712593867 712435618 /nfs/dbraw/zinc/43/56/18/712435618.db2.gz FLXAKJUEHCWWDZ-LLVKDONJSA-N 2 1 227.311 1.773 20 0 BDADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CCCCO1 ZINC000712555156 712445481 /nfs/dbraw/zinc/44/54/81/712445481.db2.gz RGBHEUXSMVFHAG-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCC(C)(C)CO1 ZINC000713596805 712466083 /nfs/dbraw/zinc/46/60/83/712466083.db2.gz OUWIGCPZUNTVCD-GFCCVEGCSA-N 2 1 244.379 1.099 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000713596607 712466120 /nfs/dbraw/zinc/46/61/20/712466120.db2.gz NALBJVFUQAAKQR-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000714932524 712500336 /nfs/dbraw/zinc/50/03/36/712500336.db2.gz PUBKBDHRNHQHEX-AHLTXXRQSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000714932524 712500338 /nfs/dbraw/zinc/50/03/38/712500338.db2.gz PUBKBDHRNHQHEX-AHLTXXRQSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037155268 712549577 /nfs/dbraw/zinc/54/95/77/712549577.db2.gz MDEWHEZQQGLLJE-RLAWYHOSSA-N 2 1 248.374 1.486 20 0 BDADMP C[C@H]1COCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717970950 712736196 /nfs/dbraw/zinc/73/61/96/712736196.db2.gz VQXLBMVSEUHDDO-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP CC(C)([NH3+])CC[NH2+]Cc1nc2c(s1)CCC2 ZINC000719561918 712809926 /nfs/dbraw/zinc/80/99/26/712809926.db2.gz SVIJPWVJXBWJKC-UHFFFAOYSA-N 2 1 239.388 1.849 20 0 BDADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC000719620159 712816968 /nfs/dbraw/zinc/81/69/68/712816968.db2.gz VEWMMZWNKFZYGI-APYLGABCSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000719620159 712816971 /nfs/dbraw/zinc/81/69/71/712816971.db2.gz VEWMMZWNKFZYGI-APYLGABCSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000719620159 712816973 /nfs/dbraw/zinc/81/69/73/712816973.db2.gz VEWMMZWNKFZYGI-APYLGABCSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC000719620159 712816976 /nfs/dbraw/zinc/81/69/76/712816976.db2.gz VEWMMZWNKFZYGI-APYLGABCSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC000719620159 712816978 /nfs/dbraw/zinc/81/69/78/712816978.db2.gz VEWMMZWNKFZYGI-APYLGABCSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1C ZINC000719620758 712817431 /nfs/dbraw/zinc/81/74/31/712817431.db2.gz WYPRPAIJSMSWNY-RISCZKNCSA-N 2 1 237.391 1.295 20 0 BDADMP CC(C)[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720161327 712828662 /nfs/dbraw/zinc/82/86/62/712828662.db2.gz CYTPMFVYSWBWGT-QWHCGFSZSA-N 2 1 240.391 1.779 20 0 BDADMP CCOCCC[N@H+](CC[NH2+]C)C(C)C ZINC000720772828 712864587 /nfs/dbraw/zinc/86/45/87/712864587.db2.gz ATTQEYQWYRLNKK-UHFFFAOYSA-N 2 1 202.342 1.343 20 0 BDADMP CCOCCC[N@@H+](CC[NH2+]C)C(C)C ZINC000720772828 712864588 /nfs/dbraw/zinc/86/45/88/712864588.db2.gz ATTQEYQWYRLNKK-UHFFFAOYSA-N 2 1 202.342 1.343 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720844850 712869912 /nfs/dbraw/zinc/86/99/12/712869912.db2.gz IDGVXDUHFPIKHR-XBFCOCLRSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720875838 712872749 /nfs/dbraw/zinc/87/27/49/712872749.db2.gz XOGANUQSBBYDFX-CYDGBPFRSA-N 2 1 224.348 1.225 20 0 BDADMP CN(C)c1cccc(N2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC001165035310 721886759 /nfs/dbraw/zinc/88/67/59/721886759.db2.gz MASVBMVGOCUINV-GFCCVEGCSA-N 2 1 248.374 1.678 20 0 BDADMP C[NH+](C)CC1CCN(c2ccc(N)c[nH+]2)CC1 ZINC000042393010 721942901 /nfs/dbraw/zinc/94/29/01/721942901.db2.gz ZPHPNLUKZYITTF-UHFFFAOYSA-N 2 1 234.347 1.442 20 0 BDADMP Cc1csc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000690740271 958876301 /nfs/dbraw/zinc/87/63/01/958876301.db2.gz TWILOJUDGCKZHW-SNVBAGLBSA-N 2 1 225.361 1.622 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000309466265 959879931 /nfs/dbraw/zinc/87/99/31/959879931.db2.gz SVIJCPRKPLLYOO-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2CO)CC1 ZINC001207479936 960356838 /nfs/dbraw/zinc/35/68/38/960356838.db2.gz PYBZHAVQDDLNRV-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CSCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000709482747 960622090 /nfs/dbraw/zinc/62/20/90/960622090.db2.gz MIEGQKFOQJBKHW-WDEREUQCSA-N 2 1 216.394 1.669 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001168328784 964461826 /nfs/dbraw/zinc/46/18/26/964461826.db2.gz KGXCGEGYZBTPBI-IFWUJCSASA-N 2 1 224.348 1.332 20 0 BDADMP Cc1[nH+]ccc(N[C@@H](C)C[NH+](C)C)c1F ZINC001163782926 965585131 /nfs/dbraw/zinc/58/51/31/965585131.db2.gz UQSBYMUWSRHSQY-QMMMGPOBSA-N 2 1 211.284 1.313 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCCCCC2)O1 ZINC001205155812 967400286 /nfs/dbraw/zinc/40/02/86/967400286.db2.gz FWWNFHCSVKEGMY-NSHDSACASA-N 2 1 212.337 1.587 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccnc2)CC1 ZINC001205264311 967458039 /nfs/dbraw/zinc/45/80/39/967458039.db2.gz JWXNUVOFDKLKGY-CYBMUJFWSA-N 2 1 219.332 1.785 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274577 967468195 /nfs/dbraw/zinc/46/81/95/967468195.db2.gz XYEWHQXLFJESJU-LBPRGKRZSA-N 2 1 223.320 1.686 20 0 BDADMP Cn1ccnc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546243 967692947 /nfs/dbraw/zinc/69/29/47/967692947.db2.gz SQRXJPSOQYKRGN-GFCCVEGCSA-N 2 1 240.326 1.073 20 0 BDADMP CCC1(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)COC1 ZINC001205981487 967921473 /nfs/dbraw/zinc/92/14/73/967921473.db2.gz DSMCPRSJNVYKEY-OLZOCXBDSA-N 2 1 240.391 1.720 20 0 BDADMP C[N@H+](C1CC1)C1CC[NH+](CC(C)(C)O)CC1 ZINC001252355234 968632881 /nfs/dbraw/zinc/63/28/81/968632881.db2.gz HBVPFBZQFWFCSC-UHFFFAOYSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@@H+](C1CC1)C1CC[NH+](CC(C)(C)O)CC1 ZINC001252355234 968632887 /nfs/dbraw/zinc/63/28/87/968632887.db2.gz HBVPFBZQFWFCSC-UHFFFAOYSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C)CC(C)(C)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001207287832 968718777 /nfs/dbraw/zinc/71/87/77/968718777.db2.gz GRQFCNHBOBJRQR-BETUJISGSA-N 2 1 239.407 1.353 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H](O)C2)CC1 ZINC001207391723 968748210 /nfs/dbraw/zinc/74/82/10/968748210.db2.gz NLAJGLQOBFNVIO-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CO[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207393960 968750331 /nfs/dbraw/zinc/75/03/31/968750331.db2.gz GSEHTIRPNADZKN-LBPRGKRZSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC001207436978 968769561 /nfs/dbraw/zinc/76/95/61/968769561.db2.gz YNBMYRWCQAGVOF-ZYHUDNBSSA-N 2 1 214.328 1.666 20 0 BDADMP CN1CCC([N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC001207457846 968780196 /nfs/dbraw/zinc/78/01/96/968780196.db2.gz HVNMRCAVPOWLPB-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+](C[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC001207457846 968780204 /nfs/dbraw/zinc/78/02/04/968780204.db2.gz HVNMRCAVPOWLPB-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC001207457846 968780208 /nfs/dbraw/zinc/78/02/08/968780208.db2.gz HVNMRCAVPOWLPB-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+](CCC1CC[NH+](C)CC1)Cc1ccon1 ZINC001207486980 968799849 /nfs/dbraw/zinc/79/98/49/968799849.db2.gz PNVYJKZDHBXUDN-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccon1 ZINC001207486980 968799860 /nfs/dbraw/zinc/79/98/60/968799860.db2.gz PNVYJKZDHBXUDN-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP CC[N@H+](C)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001207894794 968918852 /nfs/dbraw/zinc/91/88/52/968918852.db2.gz XJSLIARRFDKYHI-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001207894794 968918867 /nfs/dbraw/zinc/91/88/67/968918867.db2.gz XJSLIARRFDKYHI-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CCC[C@@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001252809674 968998411 /nfs/dbraw/zinc/99/84/11/968998411.db2.gz MMQNSQOQINFTDC-SNVBAGLBSA-N 2 1 211.309 1.093 20 0 BDADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C1(C)COC1 ZINC001208113748 969006919 /nfs/dbraw/zinc/00/69/19/969006919.db2.gz NHNCAZDHLFEURX-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001208114401 969009392 /nfs/dbraw/zinc/00/93/92/969009392.db2.gz VBONJYBNKMCNNY-RYUDHWBXSA-N 2 1 224.348 1.191 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H](C)CC12CC2 ZINC001253194129 969108505 /nfs/dbraw/zinc/10/85/05/969108505.db2.gz JMCLDAHWNYUONE-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[NH2+]C(C)(C)CC(C)=O ZINC001253213592 969110730 /nfs/dbraw/zinc/11/07/30/969110730.db2.gz NEMFOGDXOAFSJL-GFCCVEGCSA-N 2 1 244.379 1.036 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC001208592080 969148605 /nfs/dbraw/zinc/14/86/05/969148605.db2.gz CWUPIZJQWNJGQS-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCN(C)[C@H](C)C2)CC1 ZINC001208597366 969150661 /nfs/dbraw/zinc/15/06/61/969150661.db2.gz GSFCHFPSNKPXIT-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C[C@@]1(C)O ZINC001208606851 969163222 /nfs/dbraw/zinc/16/32/22/969163222.db2.gz HVRZWTCHFREGOG-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C[C@@]1(C)O ZINC001208606851 969163229 /nfs/dbraw/zinc/16/32/29/969163229.db2.gz HVRZWTCHFREGOG-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C[C@@]1(C)O ZINC001208606851 969163236 /nfs/dbraw/zinc/16/32/36/969163236.db2.gz HVRZWTCHFREGOG-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP CCOC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208606712 969161598 /nfs/dbraw/zinc/16/15/98/969161598.db2.gz HXLGGRCEJSERAH-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1[nH+]cn(C)c1NC1=CC[N@H+](C)CC1 ZINC001208793521 969237344 /nfs/dbraw/zinc/23/73/44/969237344.db2.gz HSSZSKNCAPFJSL-UHFFFAOYSA-N 2 1 206.293 1.360 20 0 BDADMP Cc1[nH+]cn(C)c1NC1=CC[N@@H+](C)CC1 ZINC001208793521 969237353 /nfs/dbraw/zinc/23/73/53/969237353.db2.gz HSSZSKNCAPFJSL-UHFFFAOYSA-N 2 1 206.293 1.360 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001169077927 969398325 /nfs/dbraw/zinc/39/83/25/969398325.db2.gz BXNOHEOGCSROBX-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001253778529 969398650 /nfs/dbraw/zinc/39/86/50/969398650.db2.gz SJYZZANECGYYAN-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCC3(COC3)C2)CC1 ZINC001169248742 969541085 /nfs/dbraw/zinc/54/10/85/969541085.db2.gz AMOCHAALVDZPHW-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCOCC2)CC1 ZINC001254516488 969693419 /nfs/dbraw/zinc/69/34/19/969693419.db2.gz NACLXMAXOVDPCO-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCOCC2)CC1 ZINC001254516488 969693425 /nfs/dbraw/zinc/69/34/25/969693425.db2.gz NACLXMAXOVDPCO-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCOCC2)CC1 ZINC001254516488 969693432 /nfs/dbraw/zinc/69/34/32/969693432.db2.gz NACLXMAXOVDPCO-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CC[C@@]1(C)O ZINC001254517355 969695343 /nfs/dbraw/zinc/69/53/43/969695343.db2.gz UXIGIIGPTNEAEO-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CC[C@@]1(C)O ZINC001254517355 969695353 /nfs/dbraw/zinc/69/53/53/969695353.db2.gz UXIGIIGPTNEAEO-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CC[C@@]1(C)O ZINC001254517355 969695361 /nfs/dbraw/zinc/69/53/61/969695361.db2.gz UXIGIIGPTNEAEO-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001254523518 969705720 /nfs/dbraw/zinc/70/57/20/969705720.db2.gz OTSBJTOMEHHNQU-QNWHQSFQSA-N 2 1 226.339 1.903 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001254523518 969705727 /nfs/dbraw/zinc/70/57/27/969705727.db2.gz OTSBJTOMEHHNQU-QNWHQSFQSA-N 2 1 226.339 1.903 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001254523518 969705734 /nfs/dbraw/zinc/70/57/34/969705734.db2.gz OTSBJTOMEHHNQU-QNWHQSFQSA-N 2 1 226.339 1.903 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001254524382 969711395 /nfs/dbraw/zinc/71/13/95/969711395.db2.gz WHTCCIYXRHYILA-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001254524382 969711401 /nfs/dbraw/zinc/71/14/01/969711401.db2.gz WHTCCIYXRHYILA-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC001254533028 969724986 /nfs/dbraw/zinc/72/49/86/969724986.db2.gz ISCWCRPFFYEJNL-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)[C@@H](C)C1 ZINC001254533028 969724991 /nfs/dbraw/zinc/72/49/91/969724991.db2.gz ISCWCRPFFYEJNL-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)[C@@H](C)C1 ZINC001254533028 969724997 /nfs/dbraw/zinc/72/49/97/969724997.db2.gz ISCWCRPFFYEJNL-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)[C@H]1CCCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255485339 970235070 /nfs/dbraw/zinc/23/50/70/970235070.db2.gz BLGFLTUYRUXHHJ-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](CC)[C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255489831 970241804 /nfs/dbraw/zinc/24/18/04/970241804.db2.gz QPPHAQBPCXCIOF-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H]1C[C@H](n2c(C)c[nH+]c2CC[NH3+])CCO1 ZINC001170169598 970543038 /nfs/dbraw/zinc/54/30/38/970543038.db2.gz GCJOMVFGVZXFPZ-NEPJUHHUSA-N 2 1 237.347 1.823 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001255956241 970594538 /nfs/dbraw/zinc/59/45/38/970594538.db2.gz IXLORQXPINXQOZ-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](O)C[C@H]1C ZINC001255963142 970600109 /nfs/dbraw/zinc/60/01/09/970600109.db2.gz CYWHUIOAVODXEB-MGPQQGTHSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+](C)C2CCN(C)CC2)CCO1 ZINC001170202315 970598715 /nfs/dbraw/zinc/59/87/15/970598715.db2.gz GEAGPPZERLPWLO-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCC(=O)OC ZINC001255971362 970609179 /nfs/dbraw/zinc/60/91/79/970609179.db2.gz JJOXMHATMMSDHG-GFCCVEGCSA-N 2 1 244.379 1.602 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001256202222 970696952 /nfs/dbraw/zinc/69/69/52/970696952.db2.gz BAVOPQVTYUZADS-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001256202222 970696964 /nfs/dbraw/zinc/69/69/64/970696964.db2.gz BAVOPQVTYUZADS-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256201356 970698391 /nfs/dbraw/zinc/69/83/91/970698391.db2.gz HKSXIJPLIRXXOK-XBXGTLAGSA-N 3 1 239.407 1.543 20 0 BDADMP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@H]1O ZINC001256203021 970702030 /nfs/dbraw/zinc/70/20/30/970702030.db2.gz PDNVRJKSSGHQSY-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@H]1O ZINC001256203021 970702036 /nfs/dbraw/zinc/70/20/36/970702036.db2.gz PDNVRJKSSGHQSY-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP CCCC[NH+]1CCN([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001173365459 975347181 /nfs/dbraw/zinc/34/71/81/975347181.db2.gz IIXOAIOJORQWIL-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[NH+](C(C)C)C(C)C)C1 ZINC000328512145 978404998 /nfs/dbraw/zinc/40/49/98/978404998.db2.gz ODHRQDGMTSJGQY-CQSZACIVSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccccn1)[NH+](C)C ZINC001338474018 978687387 /nfs/dbraw/zinc/68/73/87/978687387.db2.gz LMSWSZIKMJOTMF-WCQYABFASA-N 2 1 237.347 1.045 20 0 BDADMP OCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422221 979043602 /nfs/dbraw/zinc/04/36/02/979043602.db2.gz ADDZBJVROCPVJS-STQMWFEESA-N 2 1 226.364 1.080 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001235832659 979162975 /nfs/dbraw/zinc/16/29/75/979162975.db2.gz BBQRPHUMTAALPL-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)CN(CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001235832659 979162978 /nfs/dbraw/zinc/16/29/78/979162978.db2.gz BBQRPHUMTAALPL-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[C@H](N)C[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235892425 979184151 /nfs/dbraw/zinc/18/41/51/979184151.db2.gz QJNHDAAQBZEBCT-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@H](N)C[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235892425 979184158 /nfs/dbraw/zinc/18/41/58/979184158.db2.gz QJNHDAAQBZEBCT-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CC/C=C/c1cccnc1 ZINC001236100981 979388743 /nfs/dbraw/zinc/38/87/43/979388743.db2.gz LGFXPTJXAWUOHS-MJRJWQSSSA-N 2 1 219.332 1.764 20 0 BDADMP CCc1[nH]c(CN(C)C[C@@H]([NH3+])CC)c(C)[nH+]1 ZINC001236866212 979770319 /nfs/dbraw/zinc/77/03/19/979770319.db2.gz WJSUOKYKAKVIEW-JTQLQIEISA-N 2 1 224.352 1.450 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(C)nn1C ZINC001345482667 980618774 /nfs/dbraw/zinc/61/87/74/980618774.db2.gz OOOOUEUNHOHANT-MWLCHTKSSA-N 2 1 224.352 1.377 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)O)C1 ZINC001191257056 981003862 /nfs/dbraw/zinc/00/38/62/981003862.db2.gz IPJLDPNEALYHEZ-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP [NH3+]CCCCCCN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205763899 982414310 /nfs/dbraw/zinc/41/43/10/982414310.db2.gz SPMJKCQAFATPLA-LLVKDONJSA-N 2 1 249.349 1.421 20 0 BDADMP C[C@H]1CCOCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001352775831 982572152 /nfs/dbraw/zinc/57/21/52/982572152.db2.gz ATAHNPUPIDXJFK-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCC=C(c2cccc(C[NH3+])n2)C1 ZINC001241565706 982805787 /nfs/dbraw/zinc/80/57/87/982805787.db2.gz OKJCYQJQVFEUHV-UHFFFAOYSA-N 2 1 203.289 1.259 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172432003 974715242 /nfs/dbraw/zinc/71/52/42/974715242.db2.gz UGYZQIXKSPCSFL-GFCCVEGCSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@H](CC(C)C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001172388857 974736738 /nfs/dbraw/zinc/73/67/38/974736738.db2.gz IMMGRGPQOKADCB-VXGBXAGGSA-N 2 1 244.379 1.681 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCSC2)C1 ZINC001246588009 972978167 /nfs/dbraw/zinc/97/81/67/972978167.db2.gz XLPXRXKDLLQNIL-VXGBXAGGSA-N 2 1 228.405 1.943 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246591695 972997594 /nfs/dbraw/zinc/99/75/94/972997594.db2.gz NNZMVYXBJYZYJS-MQYQWHSLSA-N 2 1 240.391 1.610 20 0 BDADMP CCc1[nH]c(CN2C[C@@H](C)[C@H]([NH3+])C2)c(C)[nH+]1 ZINC001206052927 970805639 /nfs/dbraw/zinc/80/56/39/970805639.db2.gz AFILTWAXHNLUIU-PSASIEDQSA-N 2 1 222.336 1.060 20 0 BDADMP COC[C@H]1CC[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256577348 970867809 /nfs/dbraw/zinc/86/78/09/970867809.db2.gz JHRWZWSUGIVPGX-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@H]1CC[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256577348 970867812 /nfs/dbraw/zinc/86/78/12/970867812.db2.gz JHRWZWSUGIVPGX-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001256624507 970891688 /nfs/dbraw/zinc/89/16/88/970891688.db2.gz YNYABJPYUYOPNU-SYCZCVCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1O ZINC001256624507 970891690 /nfs/dbraw/zinc/89/16/90/970891690.db2.gz YNYABJPYUYOPNU-SYCZCVCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1O ZINC001256624507 970891693 /nfs/dbraw/zinc/89/16/93/970891693.db2.gz YNYABJPYUYOPNU-SYCZCVCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC001256628550 970893233 /nfs/dbraw/zinc/89/32/33/970893233.db2.gz JTCZAENEDZGHIQ-HABKJSAYSA-N 2 1 237.391 1.248 20 0 BDADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC001256628550 970893239 /nfs/dbraw/zinc/89/32/39/970893239.db2.gz JTCZAENEDZGHIQ-HABKJSAYSA-N 2 1 237.391 1.248 20 0 BDADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC001256628550 970893241 /nfs/dbraw/zinc/89/32/41/970893241.db2.gz JTCZAENEDZGHIQ-HABKJSAYSA-N 2 1 237.391 1.248 20 0 BDADMP CCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403240567 970897349 /nfs/dbraw/zinc/89/73/49/970897349.db2.gz PNISNUYPLKAHMM-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000234875579 973781690 /nfs/dbraw/zinc/78/16/90/973781690.db2.gz JCWFGZBISMHGNK-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP c1cc(C2=C[NH2+]CCC2)nc2c1C[NH2+]CC2 ZINC001243947635 971033432 /nfs/dbraw/zinc/03/34/32/971033432.db2.gz NPKOKQPRCPOXKD-UHFFFAOYSA-N 2 1 215.300 1.452 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC001257213619 971130002 /nfs/dbraw/zinc/13/00/02/971130002.db2.gz RNCHZNDQDXFIIM-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)N1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC001257215730 971134714 /nfs/dbraw/zinc/13/47/14/971134714.db2.gz XPJVFXQTFSYWBU-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2CO)CC1 ZINC001257215730 971134723 /nfs/dbraw/zinc/13/47/23/971134723.db2.gz XPJVFXQTFSYWBU-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC001257215730 971134726 /nfs/dbraw/zinc/13/47/26/971134726.db2.gz XPJVFXQTFSYWBU-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)N1CCC([N@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC001257215138 971134906 /nfs/dbraw/zinc/13/49/06/971134906.db2.gz SUADGFQJDRAWRZ-WCQYABFASA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC001257215138 971134910 /nfs/dbraw/zinc/13/49/10/971134910.db2.gz SUADGFQJDRAWRZ-WCQYABFASA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000404799535 971180009 /nfs/dbraw/zinc/18/00/09/971180009.db2.gz XZGIKMFOBHVGTN-RDBSUJKOSA-N 2 1 240.391 1.731 20 0 BDADMP CCC(CC)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257298665 971183446 /nfs/dbraw/zinc/18/34/46/971183446.db2.gz PDJSCHJZLVKEPJ-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP CCC(CC)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257298665 971183450 /nfs/dbraw/zinc/18/34/50/971183450.db2.gz PDJSCHJZLVKEPJ-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP CCC(CC)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001257298665 971183454 /nfs/dbraw/zinc/18/34/54/971183454.db2.gz PDJSCHJZLVKEPJ-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP CCC(CC)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001257298665 971183458 /nfs/dbraw/zinc/18/34/58/971183458.db2.gz PDJSCHJZLVKEPJ-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405201912 971208870 /nfs/dbraw/zinc/20/88/70/971208870.db2.gz BDPNCLNEDUXJIS-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405227126 971211383 /nfs/dbraw/zinc/21/13/83/971211383.db2.gz PAWKPZQQGNGIBX-AGIUHOORSA-N 2 1 237.391 1.188 20 0 BDADMP Cc1ncsc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405223348 971211983 /nfs/dbraw/zinc/21/19/83/971211983.db2.gz BUWJOFBXMMRBSU-MNOVXSKESA-N 2 1 237.372 1.811 20 0 BDADMP Cc1ncsc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405223347 971216073 /nfs/dbraw/zinc/21/60/73/971216073.db2.gz BUWJOFBXMMRBSU-GHMZBOCLSA-N 2 1 237.372 1.811 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cn[nH]c1 ZINC000405265749 971228289 /nfs/dbraw/zinc/22/82/89/971228289.db2.gz LQQYIOYLCUOJNX-GDPRMGEGSA-N 2 1 220.320 1.330 20 0 BDADMP [NH3+][C@@H]1C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000405371968 971246797 /nfs/dbraw/zinc/24/67/97/971246797.db2.gz ZISCAPMFNHURIQ-BNOWGMLFSA-N 2 1 249.402 1.330 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405437585 971252661 /nfs/dbraw/zinc/25/26/61/971252661.db2.gz UVYPLMFFJLMQBX-OLZOCXBDSA-N 3 1 235.375 1.108 20 0 BDADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CC(C)C ZINC000352867396 971262983 /nfs/dbraw/zinc/26/29/83/971262983.db2.gz JJRWOMCXLQMAMM-UHFFFAOYSA-N 2 1 244.379 1.459 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)C12CCC2 ZINC000405532303 971264589 /nfs/dbraw/zinc/26/45/89/971264589.db2.gz YNCXRCPTJQHPBG-IHRRRGAJSA-N 2 1 246.354 1.580 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)[C@@H]1C ZINC000405795342 971305220 /nfs/dbraw/zinc/30/52/20/971305220.db2.gz UDTQHXDEMKETAR-AVGNSLFASA-N 2 1 228.380 1.730 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](CCc2cccs2)C1 ZINC000405889847 971319402 /nfs/dbraw/zinc/31/94/02/971319402.db2.gz NXSTXASZQLISKH-NSHDSACASA-N 2 1 210.346 1.714 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](CCc2cccs2)C1 ZINC000405889847 971319404 /nfs/dbraw/zinc/31/94/04/971319404.db2.gz NXSTXASZQLISKH-NSHDSACASA-N 2 1 210.346 1.714 20 0 BDADMP CCCCCc1nnc([C@@H]([NH3+])CCC[NH3+])o1 ZINC001217694892 971331661 /nfs/dbraw/zinc/33/16/61/971331661.db2.gz FWFNSGLXFANGIH-VIFPVBQESA-N 2 1 226.324 1.541 20 0 BDADMP [NH3+][C@H](c1nnc(C2CCC2)o1)C1CC[NH2+]CC1 ZINC001217734241 971373987 /nfs/dbraw/zinc/37/39/87/971373987.db2.gz ZHTODJJHXAQVJK-JTQLQIEISA-N 2 1 236.319 1.337 20 0 BDADMP CCCCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001257508954 971429736 /nfs/dbraw/zinc/42/97/36/971429736.db2.gz MHTCYHNJNKABDN-ZDUSSCGKSA-N 2 1 230.396 1.859 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CO[C@@H]1CCC[NH2+]C1 ZINC001217859183 971451335 /nfs/dbraw/zinc/45/13/35/971451335.db2.gz FAEKVJQPGMFLMT-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217889184 971485271 /nfs/dbraw/zinc/48/52/71/971485271.db2.gz DPMASRLIEZBEQG-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP c1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)n[nH]1 ZINC001245312355 971775507 /nfs/dbraw/zinc/77/55/07/971775507.db2.gz AGPRSMSQFWFJNA-UHFFFAOYSA-N 2 1 239.282 1.411 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001170832158 971944279 /nfs/dbraw/zinc/94/42/79/971944279.db2.gz WGEIVAYLXAREKH-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCOCC3)C2)C1 ZINC001170831590 971951669 /nfs/dbraw/zinc/95/16/69/971951669.db2.gz QLFMUMHWUTXLKM-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCOCC3)C2)C1 ZINC001170831590 971951681 /nfs/dbraw/zinc/95/16/81/971951681.db2.gz QLFMUMHWUTXLKM-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+](C[C@@H](O)CN1CC2CCC1CC2)C1CC1 ZINC000310450577 971973821 /nfs/dbraw/zinc/97/38/21/971973821.db2.gz VMGYZFLGBKSYSD-UXUKBGGZSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@@H](O)CN1CC2CCC1CC2)C1CC1 ZINC000310450577 971973825 /nfs/dbraw/zinc/97/38/25/971973825.db2.gz VMGYZFLGBKSYSD-UXUKBGGZSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CC2CCC1CC2)C1CC1 ZINC000310450577 971973828 /nfs/dbraw/zinc/97/38/28/971973828.db2.gz VMGYZFLGBKSYSD-UXUKBGGZSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CC2CCC1CC2)C1CC1 ZINC000310450577 971973833 /nfs/dbraw/zinc/97/38/33/971973833.db2.gz VMGYZFLGBKSYSD-UXUKBGGZSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CC2CCC1CC2)C1CC1 ZINC000310450577 971973836 /nfs/dbraw/zinc/97/38/36/971973836.db2.gz VMGYZFLGBKSYSD-UXUKBGGZSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CC2CCC1CC2)C1CC1 ZINC000310450577 971973838 /nfs/dbraw/zinc/97/38/38/971973838.db2.gz VMGYZFLGBKSYSD-UXUKBGGZSA-N 2 1 238.375 1.316 20 0 BDADMP CC[C@]([NH3+])(CO)Nc1cccc(C2=[NH+]CCC2)c1 ZINC001170865446 971998710 /nfs/dbraw/zinc/99/87/10/971998710.db2.gz DXSNXIGNALMEMH-CQSZACIVSA-N 2 1 247.342 1.739 20 0 BDADMP CC[C@@]([NH3+])(CO)Nc1cc2[nH]ccc2c[nH+]1 ZINC001159743359 972094712 /nfs/dbraw/zinc/09/47/12/972094712.db2.gz DGAGFABTERVHKW-NSHDSACASA-N 2 1 220.276 1.032 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001246018674 972114658 /nfs/dbraw/zinc/11/46/58/972114658.db2.gz FMZKVJQIQTVNPP-AGIUHOORSA-N 2 1 242.407 1.700 20 0 BDADMP Cc1[nH+]c(N[C@H](N)CCC[NH3+])cc2[nH]ccc21 ZINC001159787539 972116948 /nfs/dbraw/zinc/11/69/48/972116948.db2.gz XIERHPQKQXFESD-NSHDSACASA-N 2 1 233.319 1.307 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246019119 972118422 /nfs/dbraw/zinc/11/84/22/972118422.db2.gz CTUUMVTZRJTPFJ-JSGCOSHPSA-N 2 1 242.407 1.844 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246029279 972122135 /nfs/dbraw/zinc/12/21/35/972122135.db2.gz LOPWTMNAXWLDKG-SRVKXCTJSA-N 2 1 232.343 1.299 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)C(C)(C)C)CCC[C@H]1C[NH3+] ZINC001246031387 972122403 /nfs/dbraw/zinc/12/24/03/972122403.db2.gz PREKOQDQHTZHEJ-AGIUHOORSA-N 2 1 242.407 1.700 20 0 BDADMP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095453 972148673 /nfs/dbraw/zinc/14/86/73/972148673.db2.gz BLPFLHFPLATWEM-LSGALXMHSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095528 972150369 /nfs/dbraw/zinc/15/03/69/972150369.db2.gz BLPFLHFPLATWEM-VJTDZRGJSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246102798 972161214 /nfs/dbraw/zinc/16/12/14/972161214.db2.gz SPXASISNCLYXKH-HPCHECBXSA-N 3 1 239.407 1.351 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106312 972170325 /nfs/dbraw/zinc/17/03/25/972170325.db2.gz PLGHDAOGTGTEAQ-NFAWXSAZSA-N 2 1 247.386 1.990 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246111614 972177192 /nfs/dbraw/zinc/17/71/92/972177192.db2.gz KSYQXIARTAISSM-IGQOVBAYSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114482 972180880 /nfs/dbraw/zinc/18/08/80/972180880.db2.gz WQOOWWMCIZZXSF-ZDEQEGDKSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246115640 972183569 /nfs/dbraw/zinc/18/35/69/972183569.db2.gz ZIQGQQONVORYIR-XQQFMLRXSA-N 3 1 239.407 1.495 20 0 BDADMP CCOCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127208 972188183 /nfs/dbraw/zinc/18/81/83/972188183.db2.gz AXWUHUHLMZNZGJ-MNOVXSKESA-N 2 1 212.337 1.143 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1C[NH2+]CC13CC3)C2 ZINC001246134150 972191473 /nfs/dbraw/zinc/19/14/73/972191473.db2.gz PIDGXXVXDKIMEK-YIYPIFLZSA-N 2 1 249.402 1.343 20 0 BDADMP CC(C)CCC[C@H](C)NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001220252221 972198298 /nfs/dbraw/zinc/19/82/98/972198298.db2.gz RQJRZOQVGUEQRH-TUAOUCFPSA-N 2 1 241.379 1.007 20 0 BDADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186794 972212883 /nfs/dbraw/zinc/21/28/83/972212883.db2.gz HWLQSAOPNDSRES-QJPTWQEYSA-N 2 1 240.347 1.060 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000720733713 972261298 /nfs/dbraw/zinc/26/12/98/972261298.db2.gz CFTCCXXAGFCYDP-CQSZACIVSA-N 2 1 246.354 1.935 20 0 BDADMP C[N@@H+]([C@H]1COC(C)(C)C1)C1CCC([NH3+])CC1 ZINC000396951549 957394674 /nfs/dbraw/zinc/39/46/74/957394674.db2.gz YTQHJUQQZMEBSP-HTAVTVPLSA-N 2 1 226.364 1.756 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246311646 972272805 /nfs/dbraw/zinc/27/28/05/972272805.db2.gz WYRUERQNANEPTQ-XQQFMLRXSA-N 2 1 228.380 1.371 20 0 BDADMP C[C@H]1C[N@@H+](CCCC[NH3+])CCC[C@]1(C)O ZINC001209846632 957543076 /nfs/dbraw/zinc/54/30/76/957543076.db2.gz VGBJDVPCTZDYEJ-RYUDHWBXSA-N 2 1 214.353 1.208 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC[NH3+])CCC[C@@]1(C)O ZINC001209846635 957543779 /nfs/dbraw/zinc/54/37/79/957543779.db2.gz VGBJDVPCTZDYEJ-VXGBXAGGSA-N 2 1 214.353 1.208 20 0 BDADMP Cc1ccc(N[C@H]2CC[N@H+](C)C2)[nH+]c1N ZINC001167272914 957613982 /nfs/dbraw/zinc/61/39/82/957613982.db2.gz HXOVCEOOZOGIMD-VIFPVBQESA-N 2 1 206.293 1.088 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](C)C2)c2[nH+]ccn2c1 ZINC001167278922 957628282 /nfs/dbraw/zinc/62/82/82/957628282.db2.gz YDDWPLLRWXCQME-NSHDSACASA-N 2 1 230.315 1.759 20 0 BDADMP Cc1cc(N[C@H]2CC[N@H+](C)C2)c2[nH+]ccn2c1 ZINC001167278922 957628284 /nfs/dbraw/zinc/62/82/84/957628284.db2.gz YDDWPLLRWXCQME-NSHDSACASA-N 2 1 230.315 1.759 20 0 BDADMP CCCO[C@@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC000706436317 957850306 /nfs/dbraw/zinc/85/03/06/957850306.db2.gz ZVHKTGKOTWHIBN-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP C1CC([N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246359269 972303253 /nfs/dbraw/zinc/30/32/53/972303253.db2.gz AFDAAKKHQYVSDM-WJLOJVBCSA-N 2 1 249.402 1.486 20 0 BDADMP C1[C@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C12C[NH2+]C2 ZINC001246444288 972318082 /nfs/dbraw/zinc/31/80/82/972318082.db2.gz JXSWEGICYUFQMW-OCCSQVGLSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246451006 972321491 /nfs/dbraw/zinc/32/14/91/972321491.db2.gz SQBHSDDKZNLNMR-YIYPIFLZSA-N 3 1 239.407 1.482 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000723121342 958162701 /nfs/dbraw/zinc/16/27/01/958162701.db2.gz JLLLYCRDMODAJQ-WHOHXGKFSA-N 2 1 212.337 1.081 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000723121342 958162710 /nfs/dbraw/zinc/16/27/10/958162710.db2.gz JLLLYCRDMODAJQ-WHOHXGKFSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000708873289 958272375 /nfs/dbraw/zinc/27/23/75/958272375.db2.gz ZNPHSTDPEITJEN-CMPLNLGQSA-N 2 1 219.332 1.417 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398957811 958448859 /nfs/dbraw/zinc/44/88/59/958448859.db2.gz JRCLRRHULORGMN-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP CCC1(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)COC1 ZINC000399131918 958534991 /nfs/dbraw/zinc/53/49/91/958534991.db2.gz YANQMBUIKPRJAT-GHMZBOCLSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC000707613288 958623244 /nfs/dbraw/zinc/62/32/44/958623244.db2.gz SEYXTVPMJVDDCI-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC3(C2)CCOCC3)C1 ZINC000693541985 958734800 /nfs/dbraw/zinc/73/48/00/958734800.db2.gz BOSYVDOCZRRPAD-TXEJJXNPSA-N 2 1 224.348 1.226 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000724152924 958742242 /nfs/dbraw/zinc/74/22/42/958742242.db2.gz FVQBLZKQPKAHJP-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693564148 958815982 /nfs/dbraw/zinc/81/59/82/958815982.db2.gz ZWTIADGHICEGOR-OUAUKWLOSA-N 2 1 214.378 1.551 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207276107 958846973 /nfs/dbraw/zinc/84/69/73/958846973.db2.gz UKXJCMZFDRVJMC-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP COCC[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001207276437 958848906 /nfs/dbraw/zinc/84/89/06/958848906.db2.gz WVPQWYAEPMPYBQ-UHFFFAOYSA-N 2 1 202.342 1.152 20 0 BDADMP COCC[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207276437 958848915 /nfs/dbraw/zinc/84/89/15/958848915.db2.gz WVPQWYAEPMPYBQ-UHFFFAOYSA-N 2 1 202.342 1.152 20 0 BDADMP CO[C@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246524304 972388705 /nfs/dbraw/zinc/38/87/05/972388705.db2.gz HLZIONBTFCMJSJ-UTUOFQBUSA-N 2 1 212.337 1.238 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000693616757 959002284 /nfs/dbraw/zinc/00/22/84/959002284.db2.gz QRIVNVQTHHOPFJ-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCc1cccs1 ZINC000307079581 959033934 /nfs/dbraw/zinc/03/39/34/959033934.db2.gz HUKVAKYGCGBABM-MWLCHTKSSA-N 2 1 210.346 1.712 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCc1cccs1 ZINC000307079581 959033947 /nfs/dbraw/zinc/03/39/47/959033947.db2.gz HUKVAKYGCGBABM-MWLCHTKSSA-N 2 1 210.346 1.712 20 0 BDADMP COCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327090341 972400476 /nfs/dbraw/zinc/40/04/76/972400476.db2.gz VNULLFNNAGMKHU-UHFFFAOYSA-N 2 1 240.391 1.879 20 0 BDADMP COCOCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237715 972421142 /nfs/dbraw/zinc/42/11/42/972421142.db2.gz QTXQZGYWTPSKKZ-ZDUSSCGKSA-N 2 1 242.363 1.215 20 0 BDADMP COCOCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237715 972421159 /nfs/dbraw/zinc/42/11/59/972421159.db2.gz QTXQZGYWTPSKKZ-ZDUSSCGKSA-N 2 1 242.363 1.215 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405211199 959418114 /nfs/dbraw/zinc/41/81/14/959418114.db2.gz IDSMPQDMWRXEOQ-AGIUHOORSA-N 2 1 237.391 1.330 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000405234839 959423545 /nfs/dbraw/zinc/42/35/45/959423545.db2.gz DBOMOSJGDYDUFM-VXGBXAGGSA-N 2 1 234.347 1.263 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246530830 972435700 /nfs/dbraw/zinc/43/57/00/972435700.db2.gz OHZZDCHYDNHMRR-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246530830 972435705 /nfs/dbraw/zinc/43/57/05/972435705.db2.gz OHZZDCHYDNHMRR-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000308868043 959523805 /nfs/dbraw/zinc/52/38/05/959523805.db2.gz RHYYKOYQDLWTAL-NWDGAFQWSA-N 2 1 212.337 1.084 20 0 BDADMP COCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000308855825 959525146 /nfs/dbraw/zinc/52/51/46/959525146.db2.gz OAWNWRVIDLHUPY-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP CC1(CN2CC3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222335375 972439737 /nfs/dbraw/zinc/43/97/37/972439737.db2.gz JNTXYBRIKDJFET-UHFFFAOYSA-N 2 1 237.391 1.062 20 0 BDADMP c1cn2c([nH+]1)CC[C@H](OC[C@H]1CCC[NH2+]C1)C2 ZINC001217900416 959731725 /nfs/dbraw/zinc/73/17/25/959731725.db2.gz ZHGLTZQLOYPVOV-RYUDHWBXSA-N 2 1 235.331 1.214 20 0 BDADMP Cc1cc2[nH+]ccn2cc1NC(=N)SCC[NH3+] ZINC001167913566 959764565 /nfs/dbraw/zinc/76/45/65/959764565.db2.gz BRCDWOZCHSDVQT-UHFFFAOYSA-N 2 1 249.343 1.681 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300032673 959827696 /nfs/dbraw/zinc/82/76/96/959827696.db2.gz SZVOCQACKZHWRI-UONOGXRCSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533144 972460630 /nfs/dbraw/zinc/46/06/30/972460630.db2.gz CARKSWYVQJLNEN-QWHCGFSZSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@@]1(N)CC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533144 972460639 /nfs/dbraw/zinc/46/06/39/972460639.db2.gz CARKSWYVQJLNEN-QWHCGFSZSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@]1(N)CC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533144 972460648 /nfs/dbraw/zinc/46/06/48/972460648.db2.gz CARKSWYVQJLNEN-QWHCGFSZSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)O1 ZINC000694767076 959991213 /nfs/dbraw/zinc/99/12/13/959991213.db2.gz XMVJWXYBFFCVCS-NZEXEKPDSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@]1(C)O ZINC001207436523 960089663 /nfs/dbraw/zinc/08/96/63/960089663.db2.gz MMBYHJHGQOUPOA-OCCSQVGLSA-N 2 1 240.391 1.469 20 0 BDADMP c1ccc2c(c1)OC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709380785 960548661 /nfs/dbraw/zinc/54/86/61/960548661.db2.gz DPRIAFCBKOIGCN-IIKSMHAQSA-N 2 1 244.338 1.993 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463799 960614537 /nfs/dbraw/zinc/61/45/37/960614537.db2.gz VMNWARUWQQZNBP-FUNVUKJBSA-N 2 1 234.347 1.101 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(C)c1 ZINC000709458694 960615756 /nfs/dbraw/zinc/61/57/56/960615756.db2.gz NEOOIQBTEIAHAY-KYTZWMPUSA-N 2 1 234.347 1.354 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](CCO)Cc2ccccc2)CC[NH2+]1 ZINC000709478732 960623074 /nfs/dbraw/zinc/62/30/74/960623074.db2.gz ADVRMIHSSBGIKA-ZFWWWQNUSA-N 2 1 248.370 1.621 20 0 BDADMP C[NH+]1CCC(O[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001222509968 960667401 /nfs/dbraw/zinc/66/74/01/960667401.db2.gz WCUNPGKNUXSKCU-GFCCVEGCSA-N 2 1 235.331 1.309 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[NH2+]1 ZINC000925701056 960689815 /nfs/dbraw/zinc/68/98/15/960689815.db2.gz UZTRVTUIQFFXNL-FDYHWXHSSA-N 3 1 239.407 1.623 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnco3)C[C@@H]2C1 ZINC001140927698 960695798 /nfs/dbraw/zinc/69/57/98/960695798.db2.gz AZGBCHCBDKDGCL-MNOVXSKESA-N 2 1 221.304 1.058 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnco3)C[C@@H]2C1 ZINC001140927698 960695807 /nfs/dbraw/zinc/69/58/07/960695807.db2.gz AZGBCHCBDKDGCL-MNOVXSKESA-N 2 1 221.304 1.058 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnco3)C[C@@H]2C1 ZINC001140927698 960695816 /nfs/dbraw/zinc/69/58/16/960695816.db2.gz AZGBCHCBDKDGCL-MNOVXSKESA-N 2 1 221.304 1.058 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnco3)C[C@@H]2C1 ZINC001140927698 960695828 /nfs/dbraw/zinc/69/58/28/960695828.db2.gz AZGBCHCBDKDGCL-MNOVXSKESA-N 2 1 221.304 1.058 20 0 BDADMP c1n[nH]c2c1[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423487680 960882096 /nfs/dbraw/zinc/88/20/96/960882096.db2.gz UNXHTFODMZRDPS-AAEUAGOBSA-N 2 1 248.374 1.909 20 0 BDADMP C[C@@H](C[N@@H+]1CCC[NH2+]CC1)OCc1ccccc1 ZINC001204655002 960996691 /nfs/dbraw/zinc/99/66/91/960996691.db2.gz LTIGRQZPVXNPSC-AWEZNQCLSA-N 2 1 248.370 1.887 20 0 BDADMP C[C@@H](C[N@H+]1CCC[NH2+]CC1)OCc1ccccc1 ZINC001204655002 960996727 /nfs/dbraw/zinc/99/67/27/960996727.db2.gz LTIGRQZPVXNPSC-AWEZNQCLSA-N 2 1 248.370 1.887 20 0 BDADMP c1[nH+]c(CN2CCC[NH2+]CC2)n2ccccc12 ZINC001204660697 961026520 /nfs/dbraw/zinc/02/65/20/961026520.db2.gz IYYJDOOOBJTSQS-UHFFFAOYSA-N 2 1 230.315 1.130 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000399037714 961063630 /nfs/dbraw/zinc/06/36/30/961063630.db2.gz OXZCZHLZYHMZTH-JHJVBQTASA-N 2 1 225.380 1.199 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C1COC1 ZINC001167824261 961137378 /nfs/dbraw/zinc/13/73/78/961137378.db2.gz CYMHYDCSCHOINA-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001167838693 961225117 /nfs/dbraw/zinc/22/51/17/961225117.db2.gz WANQSQSABXGTAF-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(O)cn2)C1 ZINC001206632175 962127151 /nfs/dbraw/zinc/12/71/51/962127151.db2.gz GRKZPCXXCNLANK-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(O)cn2)C1 ZINC001206632175 962127169 /nfs/dbraw/zinc/12/71/69/962127169.db2.gz GRKZPCXXCNLANK-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001206633080 962150567 /nfs/dbraw/zinc/15/05/67/962150567.db2.gz SMIQQNWLXUNBMZ-NSHDSACASA-N 2 1 248.374 1.459 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2[nH]nc3c2CCC3)C1 ZINC001206633080 962150576 /nfs/dbraw/zinc/15/05/76/962150576.db2.gz SMIQQNWLXUNBMZ-NSHDSACASA-N 2 1 248.374 1.459 20 0 BDADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C(C)C ZINC001482162059 962186837 /nfs/dbraw/zinc/18/68/37/962186837.db2.gz PAAZTKITOPNLLS-LBPRGKRZSA-N 2 1 243.395 1.079 20 0 BDADMP Nc1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641025 962274256 /nfs/dbraw/zinc/27/42/56/962274256.db2.gz RGAFLSTZWZLCBC-GFCCVEGCSA-N 2 1 233.359 1.830 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001206649640 962631799 /nfs/dbraw/zinc/63/17/99/962631799.db2.gz XBQJGXBQWZPLPP-MRVPVSSYSA-N 2 1 210.243 1.404 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001206649640 962631803 /nfs/dbraw/zinc/63/18/03/962631803.db2.gz XBQJGXBQWZPLPP-MRVPVSSYSA-N 2 1 210.243 1.404 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711427726 962706177 /nfs/dbraw/zinc/70/61/77/962706177.db2.gz AEYMQNMSCBYVIH-VXGBXAGGSA-N 2 1 246.370 1.417 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711427726 962706190 /nfs/dbraw/zinc/70/61/90/962706190.db2.gz AEYMQNMSCBYVIH-VXGBXAGGSA-N 2 1 246.370 1.417 20 0 BDADMP FC[C@H]1CCC[N@@H+]([C@H]2CCC[NH2+]C2)C1 ZINC000711443578 962708187 /nfs/dbraw/zinc/70/81/87/962708187.db2.gz NAPDFNBMCUCBPN-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP FC[C@H]1CCC[N@H+]([C@H]2CCC[NH2+]C2)C1 ZINC000711443578 962708197 /nfs/dbraw/zinc/70/81/97/962708197.db2.gz NAPDFNBMCUCBPN-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CF)C2)CC[NH2+]1 ZINC000711468331 962714588 /nfs/dbraw/zinc/71/45/88/962714588.db2.gz WQPWNOWGMPMLDQ-IJLUTSLNSA-N 2 1 214.328 1.808 20 0 BDADMP CN(C)c1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc[nH+]1 ZINC000711662273 962746673 /nfs/dbraw/zinc/74/66/73/962746673.db2.gz IARMRCQPFFJWBR-GXFFZTMASA-N 2 1 247.346 1.239 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cnsc2)C1 ZINC000712901566 963005904 /nfs/dbraw/zinc/00/59/04/963005904.db2.gz SKNUJHYAZBSLRT-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cnsc2)C1 ZINC000712901566 963005922 /nfs/dbraw/zinc/00/59/22/963005922.db2.gz SKNUJHYAZBSLRT-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP C[C@@H](C[NH+](C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000714003608 963574376 /nfs/dbraw/zinc/57/43/76/963574376.db2.gz WKQZYDKUPPMYIT-FUDCBSFHSA-N 2 1 239.407 1.541 20 0 BDADMP CC1(Nc2ccc(N)c[nH+]2)CC[NH2+]CC1 ZINC001157396899 963596385 /nfs/dbraw/zinc/59/63/85/963596385.db2.gz MLHHWLNDCJIYJG-UHFFFAOYSA-N 2 1 206.293 1.218 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCO[C@H](C)C1 ZINC001168075989 963614518 /nfs/dbraw/zinc/61/45/18/963614518.db2.gz UUXSOXZLAQROEE-GHMZBOCLSA-N 2 1 223.320 1.433 20 0 BDADMP Nc1cc(N2CCCC[C@@]23CCC[NH2+]C3)nc[nH+]1 ZINC001157473103 963624452 /nfs/dbraw/zinc/62/44/52/963624452.db2.gz QPVGCSVTNCTFGB-ZDUSSCGKSA-N 2 1 247.346 1.171 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000689179883 963782410 /nfs/dbraw/zinc/78/24/10/963782410.db2.gz HKYPTBLYTXDERZ-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000689179883 963782416 /nfs/dbraw/zinc/78/24/16/963782416.db2.gz HKYPTBLYTXDERZ-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP F[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc2[nH]c[nH+]c2c1 ZINC001168231688 964017534 /nfs/dbraw/zinc/01/75/34/964017534.db2.gz PABOPFYNTNYFGY-SKDRFNHKSA-N 2 1 234.278 1.675 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([NH2+]C(C)(C)C[NH3+])C2 ZINC001168233028 964019314 /nfs/dbraw/zinc/01/93/14/964019314.db2.gz XKZYRFFYHDXJKB-LBPRGKRZSA-N 2 1 234.343 1.489 20 0 BDADMP C[C@H](Nc1cccc(C2CC2)[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159502345 964114968 /nfs/dbraw/zinc/11/49/68/964114968.db2.gz MDAFUHDBPAEPRK-GXFFZTMASA-N 2 1 247.342 1.748 20 0 BDADMP C[C@@H]([NH3+])CCNc1[nH+]cnc2c1ccn2C ZINC001159774864 964191558 /nfs/dbraw/zinc/19/15/58/964191558.db2.gz WQXWVUZVJVYOBM-MRVPVSSYSA-N 2 1 219.292 1.118 20 0 BDADMP CC[C@H]1COCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168326695 964457159 /nfs/dbraw/zinc/45/71/59/964457159.db2.gz DMQHLBAWRLNGFG-HSBZDZAISA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)C1CCC(N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001168328653 964460143 /nfs/dbraw/zinc/46/01/43/964460143.db2.gz AVIAYXDLZFVQGW-JXQTWKCFSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CCN3CC[C@@H]3C2)CC1 ZINC001168328653 964460151 /nfs/dbraw/zinc/46/01/51/964460151.db2.gz AVIAYXDLZFVQGW-JXQTWKCFSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCN3CC[C@@H]3C2)CC1 ZINC001168328653 964460157 /nfs/dbraw/zinc/46/01/57/964460157.db2.gz AVIAYXDLZFVQGW-JXQTWKCFSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cncnc2)CC1 ZINC001168328871 964461077 /nfs/dbraw/zinc/46/10/77/964461077.db2.gz DFIMNBVOKJRRDX-UHFFFAOYSA-N 2 1 248.374 1.781 20 0 BDADMP CNc1cc(NCC[C@H](C)[NH+](C)C)nc[nH+]1 ZINC000697838096 964552778 /nfs/dbraw/zinc/55/27/78/964552778.db2.gz JCYYWGMAOFYPFO-VIFPVBQESA-N 2 1 223.324 1.270 20 0 BDADMP CNc1cc(NCC[C@H](C)[NH+](C)C)[nH+]cn1 ZINC000697838096 964552788 /nfs/dbraw/zinc/55/27/88/964552788.db2.gz JCYYWGMAOFYPFO-VIFPVBQESA-N 2 1 223.324 1.270 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697878835 964603606 /nfs/dbraw/zinc/60/36/06/964603606.db2.gz MRPTUKHICQRVTB-SECBINFHSA-N 2 1 210.325 1.148 20 0 BDADMP C[NH+](C)CCCCNc1nc2[nH]ccc2c[nH+]1 ZINC001161724433 964716713 /nfs/dbraw/zinc/71/67/13/964716713.db2.gz IMBZEMWCEXXIOA-UHFFFAOYSA-N 2 1 233.319 1.663 20 0 BDADMP COC[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000042519569 964816223 /nfs/dbraw/zinc/81/62/23/964816223.db2.gz WICKTHKIJAJWPU-LLVKDONJSA-N 2 1 202.342 1.472 20 0 BDADMP Cn1ccc2c[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)nc21 ZINC001162390888 964952146 /nfs/dbraw/zinc/95/21/46/964952146.db2.gz JORPYKNUAGYVDH-GHMZBOCLSA-N 2 1 245.330 1.650 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]c2ccc3[nH]c(=O)cc-3[nH]2)C1 ZINC001162402719 964963114 /nfs/dbraw/zinc/96/31/14/964963114.db2.gz WBNPJUDCTITGBG-IUCAKERBSA-N 2 1 246.314 1.258 20 0 BDADMP COc1[nH+]ccc(NC[C@H]2C[NH2+][C@H](C)C2)c1N ZINC001162558546 965049885 /nfs/dbraw/zinc/04/98/85/965049885.db2.gz WMVGKHPNCXQGFH-RKDXNWHRSA-N 2 1 236.319 1.082 20 0 BDADMP C[C@H]1[NH2+]CC[C@H]1Nc1cc2[nH+]c[nH]c2cc1F ZINC001162675719 965110027 /nfs/dbraw/zinc/11/00/27/965110027.db2.gz BXQQPLMWFDLPIV-VXNVDRBHSA-N 2 1 234.278 1.864 20 0 BDADMP C[N@@H+]1CCO[C@H](CNc2c[nH+]cc3cc[nH]c32)C1 ZINC001162688879 965121679 /nfs/dbraw/zinc/12/16/79/965121679.db2.gz VYBBGDNGRAFYST-LLVKDONJSA-N 2 1 246.314 1.305 20 0 BDADMP C[N@H+]1CCO[C@H](CNc2c[nH+]cc3cc[nH]c32)C1 ZINC001162688879 965121686 /nfs/dbraw/zinc/12/16/86/965121686.db2.gz VYBBGDNGRAFYST-LLVKDONJSA-N 2 1 246.314 1.305 20 0 BDADMP Nc1ccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)[nH+]c1 ZINC001162801844 965187829 /nfs/dbraw/zinc/18/78/29/965187829.db2.gz HCAPVAOYPSODRP-WPRPVWTQSA-N 2 1 224.283 1.023 20 0 BDADMP Cc1ccc[nH+]c1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163080034 965255501 /nfs/dbraw/zinc/25/55/01/965255501.db2.gz FBXAHIVTQKALMC-LBPRGKRZSA-N 2 1 247.342 1.571 20 0 BDADMP Cc1ccc[nH+]c1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163080033 965256050 /nfs/dbraw/zinc/25/60/50/965256050.db2.gz FBXAHIVTQKALMC-GFCCVEGCSA-N 2 1 247.342 1.571 20 0 BDADMP Cc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]c1 ZINC001163261266 965320404 /nfs/dbraw/zinc/32/04/04/965320404.db2.gz NWZZLKGBUKNACN-WOPDTQHZSA-N 2 1 217.316 1.800 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000714960809 965569539 /nfs/dbraw/zinc/56/95/39/965569539.db2.gz JUZKDJJJDYCNEI-JHJVBQTASA-N 2 1 240.391 1.467 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CCCn2cccn2)CC1 ZINC001205093666 965716326 /nfs/dbraw/zinc/71/63/26/965716326.db2.gz DMBDENDLCWLJFB-GFCCVEGCSA-N 2 1 222.336 1.086 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094369 965726302 /nfs/dbraw/zinc/72/63/02/965726302.db2.gz LRAKXPGZTZLQAT-CYBMUJFWSA-N 3 1 239.407 1.532 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC001205094790 965728312 /nfs/dbraw/zinc/72/83/12/965728312.db2.gz PMNOEZXTJFWUDS-VXGBXAGGSA-N 2 1 210.321 1.492 20 0 BDADMP CCc1cc(N2C[C@H](C)CC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC001164072779 965731882 /nfs/dbraw/zinc/73/18/82/965731882.db2.gz CKGWNWGPKBVFCR-MFKMUULPSA-N 2 1 248.374 1.911 20 0 BDADMP COC[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699213051 965816269 /nfs/dbraw/zinc/81/62/69/965816269.db2.gz YEWVWWWQHYAZGD-FUDCBSFHSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1CC[C@H](c2ccc(N3CC[C@@H]([NH3+])C3)cc2)C1 ZINC001164288276 965831973 /nfs/dbraw/zinc/83/19/73/965831973.db2.gz NFWSPTYRUZJLFK-UONOGXRCSA-N 2 1 245.370 1.643 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c2CCO3)CC1 ZINC001205117804 965870289 /nfs/dbraw/zinc/87/02/89/965870289.db2.gz VUCQUUWADRUHEP-ZDUSSCGKSA-N 2 1 246.354 1.935 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205117740 965870509 /nfs/dbraw/zinc/87/05/09/965870509.db2.gz UDVMHCSXGWPXCV-LBPRGKRZSA-N 2 1 219.332 1.582 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205124502 965898369 /nfs/dbraw/zinc/89/83/69/965898369.db2.gz SZNUEOIOANHLQO-LLVKDONJSA-N 2 1 223.320 1.605 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205124502 965898377 /nfs/dbraw/zinc/89/83/77/965898377.db2.gz SZNUEOIOANHLQO-LLVKDONJSA-N 2 1 223.320 1.605 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000699500006 965921151 /nfs/dbraw/zinc/92/11/51/965921151.db2.gz ZOPDAKVBMZWGOL-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000699497614 965921448 /nfs/dbraw/zinc/92/14/48/965921448.db2.gz WQSFCZRYPLKNAX-SCRDCRAPSA-N 2 1 238.375 1.485 20 0 BDADMP CCOC(C)(C)C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167417 966024983 /nfs/dbraw/zinc/02/49/83/966024983.db2.gz ZPPVZCMTOBOXBO-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167417 966024998 /nfs/dbraw/zinc/02/49/98/966024998.db2.gz ZPPVZCMTOBOXBO-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCO3)C[C@H]1C[NH3+] ZINC001205145752 966047142 /nfs/dbraw/zinc/04/71/42/966047142.db2.gz FLBWOQYXDAYXBZ-WCQYABFASA-N 2 1 246.354 1.648 20 0 BDADMP Nc1nc(N2CCCCC23CC[NH2+]CC3)cc[nH+]1 ZINC001165339087 966062224 /nfs/dbraw/zinc/06/22/24/966062224.db2.gz QTMZYXZDYJIWFO-UHFFFAOYSA-N 2 1 247.346 1.171 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC001205151691 966064971 /nfs/dbraw/zinc/06/49/71/966064971.db2.gz YXFJUXINIGPDNE-SMDDNHRTSA-N 3 1 233.359 1.172 20 0 BDADMP CC(C)C[C@H]1C[N@H+](CCCCCC[NH3+])CCN1 ZINC001235878228 966124456 /nfs/dbraw/zinc/12/44/56/966124456.db2.gz ILPTYIMCLDMQFW-AWEZNQCLSA-N 2 1 241.423 1.825 20 0 BDADMP CC(C)C[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1 ZINC001235878228 966124470 /nfs/dbraw/zinc/12/44/70/966124470.db2.gz ILPTYIMCLDMQFW-AWEZNQCLSA-N 2 1 241.423 1.825 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001236097699 966267744 /nfs/dbraw/zinc/26/77/44/966267744.db2.gz MBXDUMHQLZFJMO-LBPRGKRZSA-N 2 1 233.359 1.683 20 0 BDADMP C([C@H]1CCCOC1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314683 966365988 /nfs/dbraw/zinc/36/59/88/966365988.db2.gz RZHLOBIDNWKBPB-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP Cc1nccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236314897 966366785 /nfs/dbraw/zinc/36/67/85/966366785.db2.gz INWWDFZSVMFCKE-BETUJISGSA-N 2 1 246.358 1.216 20 0 BDADMP C[C@H]1CN(Cc2[nH+]cn3ccccc23)C[C@H](C)[NH2+]1 ZINC001236580383 966461036 /nfs/dbraw/zinc/46/10/36/966461036.db2.gz YZZAFFDHOHOHAE-RYUDHWBXSA-N 2 1 244.342 1.517 20 0 BDADMP Cc1cccc(O[C@H]2CC[N@@H+](CCCC[NH3+])C2)n1 ZINC001236665256 966499111 /nfs/dbraw/zinc/49/91/11/966499111.db2.gz SGFCACOAMVZVTM-ZDUSSCGKSA-N 2 1 249.358 1.582 20 0 BDADMP Nc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415559 966658783 /nfs/dbraw/zinc/65/87/83/966658783.db2.gz QAWIEBKTJWYRNX-UKRRQHHQSA-N 2 1 245.370 1.843 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3CCCO3)C[C@H]2CC1 ZINC001276428852 966821895 /nfs/dbraw/zinc/82/18/95/966821895.db2.gz PSGRPTJHKRGIPZ-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3CCCO3)C[C@H]2CC1 ZINC001276428852 966821899 /nfs/dbraw/zinc/82/18/99/966821899.db2.gz PSGRPTJHKRGIPZ-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H]3CCCO3)C[C@H]2CC1 ZINC001276428852 966821904 /nfs/dbraw/zinc/82/19/04/966821904.db2.gz PSGRPTJHKRGIPZ-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC000701698711 966847354 /nfs/dbraw/zinc/84/73/54/966847354.db2.gz WXHPOKIKYBVHBB-LLVKDONJSA-N 2 1 200.326 1.225 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000094449202 966891971 /nfs/dbraw/zinc/89/19/71/966891971.db2.gz JDYMJYYEKNBWBJ-UONOGXRCSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC[C@H](CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000094449202 966891976 /nfs/dbraw/zinc/89/19/76/966891976.db2.gz JDYMJYYEKNBWBJ-UONOGXRCSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC[C@H](CN2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000094449202 966891983 /nfs/dbraw/zinc/89/19/83/966891983.db2.gz JDYMJYYEKNBWBJ-UONOGXRCSA-N 2 1 237.391 1.108 20 0 BDADMP Cc1nc[nH]c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001204589724 967082890 /nfs/dbraw/zinc/08/28/90/967082890.db2.gz WFOFTVLCIKXCCO-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP CCCC[N@@H+](C)C[C@@H]1CNC(C)(C)O1 ZINC001204611208 967105426 /nfs/dbraw/zinc/10/54/26/967105426.db2.gz FKWQDCJXEATUQB-JTQLQIEISA-N 2 1 200.326 1.443 20 0 BDADMP CCCCN(C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204611208 967105431 /nfs/dbraw/zinc/10/54/31/967105431.db2.gz FKWQDCJXEATUQB-JTQLQIEISA-N 2 1 200.326 1.443 20 0 BDADMP C[C@@H]1CC(=O)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC000715562357 967181373 /nfs/dbraw/zinc/18/13/73/967181373.db2.gz ONAQNWVHCMPDFU-PNESKVBLSA-N 2 1 238.375 1.913 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001204932262 967241210 /nfs/dbraw/zinc/24/12/10/967241210.db2.gz ITMCRPFMWDTFFE-CYBMUJFWSA-N 2 1 245.370 1.968 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc2c1CCN2 ZINC001204932262 967241219 /nfs/dbraw/zinc/24/12/19/967241219.db2.gz ITMCRPFMWDTFFE-CYBMUJFWSA-N 2 1 245.370 1.968 20 0 BDADMP CC1(C[N@H+]2CCC[C@](C)(N)C2)CC[NH2+]CC1 ZINC001204940085 967247665 /nfs/dbraw/zinc/24/76/65/967247665.db2.gz VJTRKYORMRLSID-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP CC1(C[N@@H+]2CCC[C@](C)(N)C2)CC[NH2+]CC1 ZINC001204940085 967247675 /nfs/dbraw/zinc/24/76/75/967247675.db2.gz VJTRKYORMRLSID-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2cnc3cc[nH]cc2-3)CC1 ZINC001205041180 967267381 /nfs/dbraw/zinc/26/73/81/967267381.db2.gz NTBNRNGWOVUAHS-UHFFFAOYSA-N 2 1 244.342 1.734 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc2n[nH]cc21 ZINC001205074965 967326669 /nfs/dbraw/zinc/32/66/69/967326669.db2.gz CWVOBGSMOWMLPM-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc2c(c1)NCC2 ZINC001205087387 967331451 /nfs/dbraw/zinc/33/14/51/967331451.db2.gz DNYQDNHRSGRIER-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2c(c1)NCC2 ZINC001205087387 967331474 /nfs/dbraw/zinc/33/14/74/967331474.db2.gz DNYQDNHRSGRIER-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2c(c1)NCC2 ZINC001205087387 967331483 /nfs/dbraw/zinc/33/14/83/967331483.db2.gz DNYQDNHRSGRIER-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP COc1cncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205093729 967337077 /nfs/dbraw/zinc/33/70/77/967337077.db2.gz FLEVXFUZXATLSK-GFCCVEGCSA-N 2 1 235.331 1.403 20 0 BDADMP COc1cncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205093729 967337090 /nfs/dbraw/zinc/33/70/90/967337090.db2.gz FLEVXFUZXATLSK-GFCCVEGCSA-N 2 1 235.331 1.403 20 0 BDADMP Cc1nccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205093891 967341725 /nfs/dbraw/zinc/34/17/25/967341725.db2.gz HLYQRKDMOYVNGK-NSHDSACASA-N 2 1 220.320 1.098 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205093891 967341738 /nfs/dbraw/zinc/34/17/38/967341738.db2.gz HLYQRKDMOYVNGK-NSHDSACASA-N 2 1 220.320 1.098 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3ccnn32)CC1 ZINC001205102928 967348502 /nfs/dbraw/zinc/34/85/02/967348502.db2.gz WOTXONCHOUESHS-GFCCVEGCSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3ccnn32)CC1 ZINC001205102928 967348512 /nfs/dbraw/zinc/34/85/12/967348512.db2.gz WOTXONCHOUESHS-GFCCVEGCSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccn3ccnc23)CC1 ZINC001205110633 967358033 /nfs/dbraw/zinc/35/80/33/967358033.db2.gz XJTHDIDIGBECNO-ZDUSSCGKSA-N 2 1 244.342 1.648 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1C ZINC001205110635 967361637 /nfs/dbraw/zinc/36/16/37/967361637.db2.gz XKWUJBJOBWXYJV-LBPRGKRZSA-N 2 1 221.348 1.945 20 0 BDADMP Cc1ncc(F)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117140 967365384 /nfs/dbraw/zinc/36/53/84/967365384.db2.gz LPPGJSHMFLYQOH-ZDUSSCGKSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1ncc(F)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117140 967365393 /nfs/dbraw/zinc/36/53/93/967365393.db2.gz LPPGJSHMFLYQOH-ZDUSSCGKSA-N 2 1 237.322 1.842 20 0 BDADMP CCOc1cncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124660 967369089 /nfs/dbraw/zinc/36/90/89/967369089.db2.gz XJJLBBDUHVMYKZ-CYBMUJFWSA-N 2 1 249.358 1.794 20 0 BDADMP CCOc1cncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124660 967369100 /nfs/dbraw/zinc/36/91/00/967369100.db2.gz XJJLBBDUHVMYKZ-CYBMUJFWSA-N 2 1 249.358 1.794 20 0 BDADMP CCOc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccn1 ZINC001205130924 967375234 /nfs/dbraw/zinc/37/52/34/967375234.db2.gz QCGQBTOGEBQDQC-ZDUSSCGKSA-N 2 1 249.358 1.794 20 0 BDADMP CCOc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccn1 ZINC001205130924 967375246 /nfs/dbraw/zinc/37/52/46/967375246.db2.gz QCGQBTOGEBQDQC-ZDUSSCGKSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2N)C[C@H]1C[NH3+] ZINC001205146646 967391778 /nfs/dbraw/zinc/39/17/78/967391778.db2.gz ZVTULGFPALXSCC-GXSJLCMTSA-N 2 1 237.322 1.435 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC001205145709 967392298 /nfs/dbraw/zinc/39/22/98/967392298.db2.gz BXRPLGZHUZPBTE-WDEREUQCSA-N 2 1 235.331 1.117 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC001205145709 967392306 /nfs/dbraw/zinc/39/23/06/967392306.db2.gz BXRPLGZHUZPBTE-WDEREUQCSA-N 2 1 235.331 1.117 20 0 BDADMP CCOc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccn1 ZINC001205156500 967401029 /nfs/dbraw/zinc/40/10/29/967401029.db2.gz YRAOGQGUNFZTNF-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP CCOc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccn1 ZINC001205156500 967401038 /nfs/dbraw/zinc/40/10/38/967401038.db2.gz YRAOGQGUNFZTNF-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP CCc1[nH]c(CN2CC[C@@H]([NH3+])[C@H]2C)c(C)[nH+]1 ZINC001205177552 967412526 /nfs/dbraw/zinc/41/25/26/967412526.db2.gz TVNOKNSMJYHUSC-NXEZZACHSA-N 2 1 222.336 1.202 20 0 BDADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccs2)CC1 ZINC001205210647 967430996 /nfs/dbraw/zinc/43/09/96/967430996.db2.gz QFYOACZDZQALCJ-GFCCVEGCSA-N 2 1 240.372 1.424 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cnoc2)CC1 ZINC001205266952 967456599 /nfs/dbraw/zinc/45/65/99/967456599.db2.gz YTJOSYWXCDZADS-NSHDSACASA-N 2 1 209.293 1.378 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cnoc2)CC1 ZINC001205266952 967456604 /nfs/dbraw/zinc/45/66/04/967456604.db2.gz YTJOSYWXCDZADS-NSHDSACASA-N 2 1 209.293 1.378 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274577 967468194 /nfs/dbraw/zinc/46/81/94/967468194.db2.gz XYEWHQXLFJESJU-LBPRGKRZSA-N 2 1 223.320 1.686 20 0 BDADMP COc1ccnc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205281657 967474485 /nfs/dbraw/zinc/47/44/85/967474485.db2.gz XFMWLRUIBXPUKI-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccnc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205281657 967474490 /nfs/dbraw/zinc/47/44/90/967474490.db2.gz XFMWLRUIBXPUKI-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001205296175 967498898 /nfs/dbraw/zinc/49/88/98/967498898.db2.gz IIFZAYAWHVMGAL-STQMWFEESA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001205332284 967547118 /nfs/dbraw/zinc/54/71/18/967547118.db2.gz NOIQFZLNVBLCNN-GFCCVEGCSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001205332284 967547127 /nfs/dbraw/zinc/54/71/27/967547127.db2.gz NOIQFZLNVBLCNN-GFCCVEGCSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCC[NH3+])CC[C@]1(C)O ZINC001205539372 967681621 /nfs/dbraw/zinc/68/16/21/967681621.db2.gz XSSBCAWHLGCZKQ-NEPJUHHUSA-N 2 1 214.353 1.208 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccon2)CC1 ZINC001205545581 967688730 /nfs/dbraw/zinc/68/87/30/967688730.db2.gz JPLJZUNUAZAVCT-LLVKDONJSA-N 2 1 227.283 1.328 20 0 BDADMP Cc1coc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)n1 ZINC001205592040 967714073 /nfs/dbraw/zinc/71/40/73/967714073.db2.gz QPCSPINLCZOUJZ-GFCCVEGCSA-N 2 1 241.310 1.636 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC001205601928 967718870 /nfs/dbraw/zinc/71/88/70/967718870.db2.gz GSUWZYXKGUURFP-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC001205600507 967719750 /nfs/dbraw/zinc/71/97/50/967719750.db2.gz CCMDDPBWFVYFIZ-RDBSUJKOSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)CC[C@@H]1C[NH3+] ZINC001205618705 967726144 /nfs/dbraw/zinc/72/61/44/967726144.db2.gz YHRLUDDCNXQTKF-DGCLKSJQSA-N 2 1 249.358 1.594 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205617857 967726428 /nfs/dbraw/zinc/72/64/28/967726428.db2.gz OOTAITULVKWNSE-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ncccc2O)CC[C@H]1C[NH3+] ZINC001205616029 967726787 /nfs/dbraw/zinc/72/67/87/967726787.db2.gz BWUNJFUEMVBIQF-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncccc2O)CC[C@H]1C[NH3+] ZINC001205616029 967726792 /nfs/dbraw/zinc/72/67/92/967726792.db2.gz BWUNJFUEMVBIQF-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)CC[C@@H]1C[NH3+] ZINC001205618707 967728529 /nfs/dbraw/zinc/72/85/29/967728529.db2.gz YHRLUDDCNXQTKF-WCQYABFASA-N 2 1 249.358 1.594 20 0 BDADMP Cc1nccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205618404 967728569 /nfs/dbraw/zinc/72/85/69/967728569.db2.gz VTDZUAHQULKGDM-WCQYABFASA-N 2 1 248.374 1.592 20 0 BDADMP Cc1nccnc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205629479 967735060 /nfs/dbraw/zinc/73/50/60/967735060.db2.gz ZEJLMBXHHIIAGH-AAEUAGOBSA-N 2 1 248.374 1.592 20 0 BDADMP Cc1coc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205655204 967750792 /nfs/dbraw/zinc/75/07/92/967750792.db2.gz YZSHKVMIRKJLQL-ZYHUDNBSSA-N 2 1 237.347 1.790 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001205664577 967758565 /nfs/dbraw/zinc/75/85/65/967758565.db2.gz OIXWQCQORBCETC-KBPBESRZSA-N 2 1 238.375 1.518 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903035 967879603 /nfs/dbraw/zinc/87/96/03/967879603.db2.gz NDRCOINVFWPWEK-STQMWFEESA-N 3 1 239.407 1.435 20 0 BDADMP CC/C=C\CCC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946456 967891436 /nfs/dbraw/zinc/89/14/36/967891436.db2.gz MMYUIUBAFQEAGA-OPVGQWETSA-N 2 1 212.337 1.127 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncn2C)CCC[C@@H]1C[NH3+] ZINC001205994684 967946176 /nfs/dbraw/zinc/94/61/76/967946176.db2.gz LVGKXVKFPFFAFJ-VXGBXAGGSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccn2C)CCC[C@H]1C[NH3+] ZINC001205996735 967948712 /nfs/dbraw/zinc/94/87/12/967948712.db2.gz XZVSMFPHAPTWGE-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2N)CCC[C@H]1C[NH3+] ZINC001206003241 967956556 /nfs/dbraw/zinc/95/65/56/967956556.db2.gz FYNABMKKXFYRSY-RYUDHWBXSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cocn2)CCC[C@@H]1C[NH3+] ZINC001206004466 967958748 /nfs/dbraw/zinc/95/87/48/967958748.db2.gz SMXZPYVCLIJXRK-GHMZBOCLSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2N)CCC[C@@H]1C[NH3+] ZINC001206014772 967969492 /nfs/dbraw/zinc/96/94/92/967969492.db2.gz XZPRXOOLIOLXQM-VXGBXAGGSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC001206028223 967979686 /nfs/dbraw/zinc/97/96/86/967979686.db2.gz XVFBDQRXUSTIEO-CMPLNLGQSA-N 2 1 237.347 1.790 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001206084913 968054131 /nfs/dbraw/zinc/05/41/31/968054131.db2.gz QPRRFXNCQDGQNO-RFQIPJPRSA-N 2 1 240.391 1.731 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001206084913 968054137 /nfs/dbraw/zinc/05/41/37/968054137.db2.gz QPRRFXNCQDGQNO-RFQIPJPRSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693566200 968077484 /nfs/dbraw/zinc/07/74/84/968077484.db2.gz BTEBOMPMHNZKTJ-WZRBSPASSA-N 2 1 219.332 1.812 20 0 BDADMP CCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154301 968089654 /nfs/dbraw/zinc/08/96/54/968089654.db2.gz ITASSFLNSOLKFV-QWRGUYRKSA-N 2 1 202.317 1.938 20 0 BDADMP CCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154301 968089659 /nfs/dbraw/zinc/08/96/59/968089659.db2.gz ITASSFLNSOLKFV-QWRGUYRKSA-N 2 1 202.317 1.938 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC2CC2)CC[C@@H]1F ZINC001206152700 968089792 /nfs/dbraw/zinc/08/97/92/968089792.db2.gz AIKNDBKAPXZKJD-QWRGUYRKSA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC2CC2)CC[C@@H]1F ZINC001206152700 968089798 /nfs/dbraw/zinc/08/97/98/968089798.db2.gz AIKNDBKAPXZKJD-QWRGUYRKSA-N 2 1 200.301 1.548 20 0 BDADMP CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154299 968092201 /nfs/dbraw/zinc/09/22/01/968092201.db2.gz ITASSFLNSOLKFV-GHMZBOCLSA-N 2 1 202.317 1.938 20 0 BDADMP CCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154299 968092211 /nfs/dbraw/zinc/09/22/11/968092211.db2.gz ITASSFLNSOLKFV-GHMZBOCLSA-N 2 1 202.317 1.938 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccn1 ZINC001206164811 968101191 /nfs/dbraw/zinc/10/11/91/968101191.db2.gz LLJMZVQROSPNDD-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccn1 ZINC001206164811 968101202 /nfs/dbraw/zinc/10/12/02/968101202.db2.gz LLJMZVQROSPNDD-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)nc1 ZINC001206175230 968107718 /nfs/dbraw/zinc/10/77/18/968107718.db2.gz SUDHKECIAFMLDU-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)nc1 ZINC001206175230 968107728 /nfs/dbraw/zinc/10/77/28/968107728.db2.gz SUDHKECIAFMLDU-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP CC1(Nc2[nH+]cccc2N2CC[NH2+]CC2)CCC1 ZINC001164025705 968161327 /nfs/dbraw/zinc/16/13/27/968161327.db2.gz ZPQMXDSTEXGYMS-UHFFFAOYSA-N 2 1 246.358 1.846 20 0 BDADMP C[N@@H+](CCCC[NH3+])Cc1cnc(Cl)s1 ZINC001206252683 968171663 /nfs/dbraw/zinc/17/16/63/968171663.db2.gz YWRQXPLLMHZBQX-UHFFFAOYSA-N 2 1 233.768 1.967 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292473 968201187 /nfs/dbraw/zinc/20/11/87/968201187.db2.gz BNOCSKNLORPQQW-NWDGAFQWSA-N 2 1 213.369 1.175 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292473 968201193 /nfs/dbraw/zinc/20/11/93/968201193.db2.gz BNOCSKNLORPQQW-NWDGAFQWSA-N 2 1 213.369 1.175 20 0 BDADMP CC[N@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206302984 968210663 /nfs/dbraw/zinc/21/06/63/968210663.db2.gz WCNLJVRTKIXRIJ-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001206304932 968214871 /nfs/dbraw/zinc/21/48/71/968214871.db2.gz RUCMOADYNWBMAW-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N)nc2)CC1 ZINC001206317233 968221738 /nfs/dbraw/zinc/22/17/38/968221738.db2.gz DENUWUUSESRASC-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc(N)cn2)CC1 ZINC001206326812 968232488 /nfs/dbraw/zinc/23/24/88/968232488.db2.gz PGYLNFXLKVTQRP-CYBMUJFWSA-N 2 1 249.362 1.010 20 0 BDADMP C[N@@H+](CCCC[NH3+])Cc1cnc2ccccn12 ZINC001206397393 968277281 /nfs/dbraw/zinc/27/72/81/968277281.db2.gz VEFAZAJGVNMAPW-UHFFFAOYSA-N 2 1 232.331 1.505 20 0 BDADMP Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206475400 968329402 /nfs/dbraw/zinc/32/94/02/968329402.db2.gz ODTONBIMZQDGBI-LSDHHAIUSA-N 2 1 248.370 1.363 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3occc32)C[C@@H]1O ZINC001206535316 968362990 /nfs/dbraw/zinc/36/29/90/968362990.db2.gz JLTRAZLFGLBSBT-AAEUAGOBSA-N 2 1 246.310 1.184 20 0 BDADMP Cn1cnc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206548111 968373454 /nfs/dbraw/zinc/37/34/54/968373454.db2.gz GTRGJHARHXAJSV-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP Cn1cnc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206548111 968373464 /nfs/dbraw/zinc/37/34/64/968373464.db2.gz GTRGJHARHXAJSV-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001206616068 968420253 /nfs/dbraw/zinc/42/02/53/968420253.db2.gz NHYJNVYDDBQZSB-GFCCVEGCSA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ncccc2F)C1 ZINC001206616944 968420417 /nfs/dbraw/zinc/42/04/17/968420417.db2.gz UXMSPYXKLFTZNZ-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ncccc2F)C1 ZINC001206616944 968420421 /nfs/dbraw/zinc/42/04/21/968420421.db2.gz UXMSPYXKLFTZNZ-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccncc2O)C1 ZINC001206622535 968423907 /nfs/dbraw/zinc/42/39/07/968423907.db2.gz FFCPOXUPQMUHHP-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccncc2O)C1 ZINC001206622535 968423912 /nfs/dbraw/zinc/42/39/12/968423912.db2.gz FFCPOXUPQMUHHP-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP CCC(=O)C(C)(C)C[NH+]1CC(C)(C[NH3+])C1 ZINC001206711771 968436285 /nfs/dbraw/zinc/43/62/85/968436285.db2.gz OCVRUGDJAIQXPF-UHFFFAOYSA-N 2 1 212.337 1.272 20 0 BDADMP CC1(C[NH3+])C[NH+](Cc2ccnc3[nH]ccc32)C1 ZINC001206723209 968441530 /nfs/dbraw/zinc/44/15/30/968441530.db2.gz LYAMIJKAOHPRQM-UHFFFAOYSA-N 2 1 230.315 1.344 20 0 BDADMP CCN(CC[NH+](C)C)Cc1[nH+]cc2ccccn21 ZINC001207048175 968574297 /nfs/dbraw/zinc/57/42/97/968574297.db2.gz BNGREVGPIIEDPP-UHFFFAOYSA-N 2 1 246.358 1.718 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001252098903 968581228 /nfs/dbraw/zinc/58/12/28/968581228.db2.gz XIJJPGJTDRXJOZ-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CCN(CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001207283621 968715573 /nfs/dbraw/zinc/71/55/73/968715573.db2.gz BEDNJQPOMMXHRI-CYBMUJFWSA-N 2 1 241.423 1.600 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001207391955 968747843 /nfs/dbraw/zinc/74/78/43/968747843.db2.gz RPKRTYKEKUNYIB-QWHCGFSZSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CCC(=O)[C@@H](F)CC2)CC1 ZINC001207392217 968751237 /nfs/dbraw/zinc/75/12/37/968751237.db2.gz WPCSEUNSBVNKRF-LBPRGKRZSA-N 2 1 242.338 1.331 20 0 BDADMP CCCO[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207398523 968751768 /nfs/dbraw/zinc/75/17/68/968751768.db2.gz XAVMABZEKCAPTN-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](CC1CC[NH+](C)CC1)C1CCOCC1 ZINC001207398434 968752792 /nfs/dbraw/zinc/75/27/92/968752792.db2.gz PCNXSUDWHWIVIH-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1CC1CC[NH2+]CC1 ZINC001207436544 968770288 /nfs/dbraw/zinc/77/02/88/968770288.db2.gz NNFDNBLDIDUYHT-KOLCDFICSA-N 2 1 200.301 1.418 20 0 BDADMP c1cc2n(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207437152 968770341 /nfs/dbraw/zinc/77/03/41/968770341.db2.gz AXQHXUOAHVDBCA-UHFFFAOYSA-N 2 1 219.332 1.303 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC001207436540 968771075 /nfs/dbraw/zinc/77/10/75/968771075.db2.gz NKPGRTHOFDYJAK-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+]1C[C@H]2CCCN(CC3CC[NH2+]CC3)[C@H]2C1 ZINC001207439100 968774983 /nfs/dbraw/zinc/77/49/83/968774983.db2.gz MPOTZLMRDGXPLB-KGLIPLIRSA-N 2 1 237.391 1.012 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC001207468864 968787379 /nfs/dbraw/zinc/78/73/79/968787379.db2.gz JFWCIYGSHXDJPT-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207480101 968797993 /nfs/dbraw/zinc/79/79/93/968797993.db2.gz UHEHGSMUDNGFCI-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC[NH+](C)CC1 ZINC001207486857 968798023 /nfs/dbraw/zinc/79/80/23/968798023.db2.gz DTPPNCLWCUXTPU-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@@H+]1C[C@@H]2C[C@H]1CN2CCC1CC[NH+](C)CC1 ZINC001207486857 968798031 /nfs/dbraw/zinc/79/80/31/968798031.db2.gz DTPPNCLWCUXTPU-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@H+]1C[C@@H]2C[C@H]1CN2CCC1CC[NH+](C)CC1 ZINC001207486857 968798034 /nfs/dbraw/zinc/79/80/34/968798034.db2.gz DTPPNCLWCUXTPU-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC001207480007 968799573 /nfs/dbraw/zinc/79/95/73/968799573.db2.gz SORNXGWAHDRRAD-CYBMUJFWSA-N 2 1 244.354 1.125 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CCCO1 ZINC001207479991 968799665 /nfs/dbraw/zinc/79/96/65/968799665.db2.gz RMVJEEYBTHCQAY-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCF)CCC1CC[NH+](C)CC1 ZINC001207488130 968803795 /nfs/dbraw/zinc/80/37/95/968803795.db2.gz FMQPUJDXXAERGJ-UHFFFAOYSA-N 2 1 202.317 1.620 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCOC(C)(C)C2)CC1 ZINC001208102999 968999653 /nfs/dbraw/zinc/99/96/53/968999653.db2.gz JJKWXZXFQZGLPA-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108021 969001801 /nfs/dbraw/zinc/00/18/01/969001801.db2.gz NHAFFUUOHWDUCT-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001208108107 969002279 /nfs/dbraw/zinc/00/22/79/969002279.db2.gz QRFCBEPCPJEAIU-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP COC(=O)CC[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208111350 969006331 /nfs/dbraw/zinc/00/63/31/969006331.db2.gz KQRUDCRMXZDZNA-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001208116628 969007171 /nfs/dbraw/zinc/00/71/71/969007171.db2.gz ZAHJRRBHFNYQTD-CHWSQXEVSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113270 969008198 /nfs/dbraw/zinc/00/81/98/969008198.db2.gz FZDITONHESXWLT-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP O[C@H](C[NH2+]CCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC001252860705 969037078 /nfs/dbraw/zinc/03/70/78/969037078.db2.gz ZYHKVXCPSJXRDW-GFCCVEGCSA-N 2 1 249.289 1.415 20 0 BDADMP CCC[N@@H+](CCOC)C[C@@H](O)C[NH+](CC)CC ZINC001253175033 969097633 /nfs/dbraw/zinc/09/76/33/969097633.db2.gz BWGOCQZOMBPDAM-ZDUSSCGKSA-N 2 1 246.395 1.048 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H](C)CC12CC2 ZINC001253194130 969108804 /nfs/dbraw/zinc/10/88/04/969108804.db2.gz JMCLDAHWNYUONE-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1[nH]c(C)[nH+]c1C ZINC001276565622 969129789 /nfs/dbraw/zinc/12/97/89/969129789.db2.gz GJYWEBNPINXXMD-YHWZYXNKSA-N 2 1 248.374 1.741 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC(C)([NH3+])C2)c1C ZINC000089646870 969141822 /nfs/dbraw/zinc/14/18/22/969141822.db2.gz KXWRDQREPSEFSX-UHFFFAOYSA-N 2 1 235.331 1.240 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCCC12CC2 ZINC001253385306 969144292 /nfs/dbraw/zinc/14/42/92/969144292.db2.gz YYFOMSDFPGWOTC-LLVKDONJSA-N 2 1 226.364 1.364 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001208593222 969148233 /nfs/dbraw/zinc/14/82/33/969148233.db2.gz QMRUSVGLXQFQLV-STQMWFEESA-N 2 1 244.354 1.123 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2C(C)=O)CC1 ZINC001208604727 969154691 /nfs/dbraw/zinc/15/46/91/969154691.db2.gz RYCUITJNZUMERX-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C[C@H]1CCC[NH+](C)C1 ZINC001208612828 969169595 /nfs/dbraw/zinc/16/95/95/969169595.db2.gz DRRYXOXTOQFDMG-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C[C@H]1CCC[N@H+](C)C1 ZINC001208612828 969169599 /nfs/dbraw/zinc/16/95/99/969169599.db2.gz DRRYXOXTOQFDMG-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C[C@H]1CCC[N@@H+](C)C1 ZINC001208612828 969169601 /nfs/dbraw/zinc/16/96/01/969169601.db2.gz DRRYXOXTOQFDMG-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CCO3)C2)C1 ZINC001208613440 969170059 /nfs/dbraw/zinc/17/00/59/969170059.db2.gz UENYJDBIZUMZBF-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CCO3)C2)C1 ZINC001208613440 969170065 /nfs/dbraw/zinc/17/00/65/969170065.db2.gz UENYJDBIZUMZBF-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@]3(CCO3)C2)C1 ZINC001208613440 969170069 /nfs/dbraw/zinc/17/00/69/969170069.db2.gz UENYJDBIZUMZBF-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CCO3)C2)C1 ZINC001208613438 969171309 /nfs/dbraw/zinc/17/13/09/969171309.db2.gz UENYJDBIZUMZBF-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@]3(CCO3)C2)C1 ZINC001208613438 969171317 /nfs/dbraw/zinc/17/13/17/969171317.db2.gz UENYJDBIZUMZBF-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@]3(CCO3)C2)C1 ZINC001208613438 969171320 /nfs/dbraw/zinc/17/13/20/969171320.db2.gz UENYJDBIZUMZBF-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP COCOCCC[NH+]1CCC([NH+](C)C)CC1 ZINC001209022857 969318835 /nfs/dbraw/zinc/31/88/35/969318835.db2.gz BYFLYYYGINCWCJ-UHFFFAOYSA-N 2 1 230.352 1.023 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1C[C@@](C)(O)C1)C2 ZINC001169098464 969390619 /nfs/dbraw/zinc/39/06/19/969390619.db2.gz IKALTWVLEBJBSE-WZNRFSEPSA-N 2 1 238.375 1.362 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100313 969390983 /nfs/dbraw/zinc/39/09/83/969390983.db2.gz IRLYORJWSNWTBA-FIQHERPVSA-N 2 1 212.337 1.236 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078740 969398370 /nfs/dbraw/zinc/39/83/70/969398370.db2.gz FRLKTTRHXSRMBF-ZSOGYDGISA-N 3 1 239.407 1.543 20 0 BDADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C2 ZINC001169078740 969398381 /nfs/dbraw/zinc/39/83/81/969398381.db2.gz FRLKTTRHXSRMBF-ZSOGYDGISA-N 2 1 239.407 1.543 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCn1ccnc1)C2 ZINC001169078799 969399669 /nfs/dbraw/zinc/39/96/69/969399669.db2.gz HAKWILLOFULUIX-CLLJXQQHSA-N 2 1 234.347 1.098 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+]C[C@@H](O)C(C)C ZINC001253778458 969399732 /nfs/dbraw/zinc/39/97/32/969399732.db2.gz PMDQTKBBWQOPLP-CYBMUJFWSA-N 2 1 230.396 1.715 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(C[NH3+])c1)C2 ZINC001169101189 969400773 /nfs/dbraw/zinc/40/07/73/969400773.db2.gz OYRDUYNAKLLUDK-CLLJXQQHSA-N 2 1 219.332 1.745 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cncc1C[NH3+])C2 ZINC001169081358 969405292 /nfs/dbraw/zinc/40/52/92/969405292.db2.gz RYMCKEMYSJNURW-JGPRNRPPSA-N 2 1 220.320 1.140 20 0 BDADMP CC(C)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080979 969405471 /nfs/dbraw/zinc/40/54/71/969405471.db2.gz OJPDRTFSYHQQKT-XYYAHUGASA-N 2 1 226.364 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001169091456 969406447 /nfs/dbraw/zinc/40/64/47/969406447.db2.gz ROKXXXGYSKOMCD-FVCCEPFGSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001169090872 969407854 /nfs/dbraw/zinc/40/78/54/969407854.db2.gz MNNKQLLBQOYZIH-LBELIVKGSA-N 2 1 224.348 1.115 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCCOC)C[C@@H]2C1 ZINC001209219696 969408099 /nfs/dbraw/zinc/40/80/99/969408099.db2.gz LYYINKXPVFSPNK-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2C1 ZINC001209219696 969408105 /nfs/dbraw/zinc/40/81/05/969408105.db2.gz LYYINKXPVFSPNK-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CCCCOC)C[C@@H]2C1 ZINC001209219696 969408112 /nfs/dbraw/zinc/40/81/12/969408112.db2.gz LYYINKXPVFSPNK-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC001169123083 969418787 /nfs/dbraw/zinc/41/87/87/969418787.db2.gz ISEFRBAIUMNGSI-YHQUGGNUSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1COCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124202 969421153 /nfs/dbraw/zinc/42/11/53/969421153.db2.gz ASGGRXGJFFICMH-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1COCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124202 969421155 /nfs/dbraw/zinc/42/11/55/969421155.db2.gz ASGGRXGJFFICMH-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1COCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124202 969421163 /nfs/dbraw/zinc/42/11/63/969421163.db2.gz ASGGRXGJFFICMH-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1cccnc1C[NH3+])C2 ZINC001169111367 969444956 /nfs/dbraw/zinc/44/49/56/969444956.db2.gz PDDHEYPNTGHCJE-ZSBIGDGJSA-N 2 1 246.358 1.577 20 0 BDADMP CCN(C1C[NH+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154233 969470443 /nfs/dbraw/zinc/47/04/43/969470443.db2.gz OSWICGZUPMESJX-ITGUQSILSA-N 2 1 237.391 1.248 20 0 BDADMP CCN(C1C[NH+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154233 969470453 /nfs/dbraw/zinc/47/04/53/969470453.db2.gz OSWICGZUPMESJX-ITGUQSILSA-N 2 1 237.391 1.248 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CC[C@@H]3C1)C2 ZINC001169161975 969477465 /nfs/dbraw/zinc/47/74/65/969477465.db2.gz QZNBGRHYBZGGGW-RQJABVFESA-N 2 1 235.375 1.002 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@@H+]3CC[C@@H]3C1)C2 ZINC001169161975 969477472 /nfs/dbraw/zinc/47/74/72/969477472.db2.gz QZNBGRHYBZGGGW-RQJABVFESA-N 2 1 235.375 1.002 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@H+]3CC[C@@H]3C1)C2 ZINC001169161975 969477477 /nfs/dbraw/zinc/47/74/77/969477477.db2.gz QZNBGRHYBZGGGW-RQJABVFESA-N 2 1 235.375 1.002 20 0 BDADMP C[N@@H+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160890 969479669 /nfs/dbraw/zinc/47/96/69/969479669.db2.gz MGHIVTCZMGFTMD-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160890 969479674 /nfs/dbraw/zinc/47/96/74/969479674.db2.gz MGHIVTCZMGFTMD-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160890 969479683 /nfs/dbraw/zinc/47/96/83/969479683.db2.gz MGHIVTCZMGFTMD-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)CC1COC1 ZINC001209451393 969516755 /nfs/dbraw/zinc/51/67/55/969516755.db2.gz XLFBBELSBJQDIX-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP CC[NH+]1CCC([NH+]2CCC(O)(CC)CC2)CC1 ZINC001169265691 969523149 /nfs/dbraw/zinc/52/31/49/969523149.db2.gz PJJYDFHJAUFOLW-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](O)C[C@H]2C)CC1 ZINC001169266645 969525621 /nfs/dbraw/zinc/52/56/21/969525621.db2.gz ZQNQBBKRKZJLQP-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](O)C[C@H]2C)CC1 ZINC001169266645 969525624 /nfs/dbraw/zinc/52/56/24/969525624.db2.gz ZQNQBBKRKZJLQP-YPMHNXCESA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001169245500 969530667 /nfs/dbraw/zinc/53/06/67/969530667.db2.gz FZCHGWINQJIBNP-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCC[C@H](O)C2)CC1 ZINC001169245500 969530670 /nfs/dbraw/zinc/53/06/70/969530670.db2.gz FZCHGWINQJIBNP-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CCN1CCC([N@H+]2CCC[C@H]2COC)CC1 ZINC001169246659 969533959 /nfs/dbraw/zinc/53/39/59/969533959.db2.gz TWGWLXUUVVHCEP-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2COC)CC1 ZINC001169246659 969533963 /nfs/dbraw/zinc/53/39/63/969533963.db2.gz TWGWLXUUVVHCEP-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2COC)CC1 ZINC001169246659 969533971 /nfs/dbraw/zinc/53/39/71/969533971.db2.gz TWGWLXUUVVHCEP-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCC3(COC3)C2)CC1 ZINC001169248742 969541081 /nfs/dbraw/zinc/54/10/81/969541081.db2.gz AMOCHAALVDZPHW-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001169254630 969544135 /nfs/dbraw/zinc/54/41/35/969544135.db2.gz HGPDRAXMIUXBOT-WCFLWFBJSA-N 2 1 226.339 1.903 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001169254630 969544140 /nfs/dbraw/zinc/54/41/40/969544140.db2.gz HGPDRAXMIUXBOT-WCFLWFBJSA-N 2 1 226.339 1.903 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169258778 969545608 /nfs/dbraw/zinc/54/56/08/969545608.db2.gz RQUZQWKACUBXOT-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169258778 969545613 /nfs/dbraw/zinc/54/56/13/969545613.db2.gz RQUZQWKACUBXOT-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@]1(O)CCCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209728881 969578833 /nfs/dbraw/zinc/57/88/33/969578833.db2.gz XOXVYQPPLQUJSL-CYBMUJFWSA-N 2 1 235.331 1.231 20 0 BDADMP C[C@@]1(O)CCCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209728881 969578838 /nfs/dbraw/zinc/57/88/38/969578838.db2.gz XOXVYQPPLQUJSL-CYBMUJFWSA-N 2 1 235.331 1.231 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC001254388610 969580350 /nfs/dbraw/zinc/58/03/50/969580350.db2.gz FXRHTFDIMURXJG-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)[C@H]1CO ZINC001209728420 969582146 /nfs/dbraw/zinc/58/21/46/969582146.db2.gz DXUIZHSLGXWDHD-MFKMUULPSA-N 2 1 235.331 1.087 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)[C@H]1CO ZINC001209728420 969582150 /nfs/dbraw/zinc/58/21/50/969582150.db2.gz DXUIZHSLGXWDHD-MFKMUULPSA-N 2 1 235.331 1.087 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H]2CCC[N@H+](C)CC2)nc1 ZINC001254497150 969659192 /nfs/dbraw/zinc/65/91/92/969659192.db2.gz GKJGGQURMNBLPE-CYBMUJFWSA-N 2 1 248.374 1.401 20 0 BDADMP C[NH+](C)CCCCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254500669 969659433 /nfs/dbraw/zinc/65/94/33/969659433.db2.gz XRSZKBBJJFXJPE-AWEZNQCLSA-N 3 1 241.423 1.792 20 0 BDADMP CN1CCC[C@H]([NH2+]CCCCC[NH+](C)C)CC1 ZINC001254500669 969659438 /nfs/dbraw/zinc/65/94/38/969659438.db2.gz XRSZKBBJJFXJPE-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)c2ccco2)CC1 ZINC001254497841 969663246 /nfs/dbraw/zinc/66/32/46/969663246.db2.gz OGZWIIFXONFDIS-NEPJUHHUSA-N 2 1 238.331 1.387 20 0 BDADMP CCC[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254504000 969669046 /nfs/dbraw/zinc/66/90/46/969669046.db2.gz QGJHOOUSAAIGOE-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254504071 969671046 /nfs/dbraw/zinc/67/10/46/969671046.db2.gz SFTAFHWASRVAHI-SDDRHHMPSA-N 2 1 240.347 1.012 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2cncs2)CC1 ZINC001254504485 969674956 /nfs/dbraw/zinc/67/49/56/969674956.db2.gz BYTDBCGBWXBBMH-LLVKDONJSA-N 2 1 239.388 1.760 20 0 BDADMP Cc1cnc(C[NH3+])n1[C@@H]1CCC[N@H+](C)CC1 ZINC001254506090 969676161 /nfs/dbraw/zinc/67/61/61/969676161.db2.gz PCAFCWCPUCGNBS-LLVKDONJSA-N 2 1 222.336 1.307 20 0 BDADMP COC(=O)CCCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254507789 969678947 /nfs/dbraw/zinc/67/89/47/969678947.db2.gz DXTWNHWAXAIYPS-GFCCVEGCSA-N 2 1 242.363 1.404 20 0 BDADMP CO[C@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254521206 969697572 /nfs/dbraw/zinc/69/75/72/969697572.db2.gz SRXBZFDWFVMERN-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254521206 969697574 /nfs/dbraw/zinc/69/75/74/969697574.db2.gz SRXBZFDWFVMERN-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254521206 969697575 /nfs/dbraw/zinc/69/75/75/969697575.db2.gz SRXBZFDWFVMERN-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1CCC[NH+](C)CC1 ZINC001254520572 969698796 /nfs/dbraw/zinc/69/87/96/969698796.db2.gz OGUCMWVPOMKTOC-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CCC[N@H+](C)CC1 ZINC001254520572 969698800 /nfs/dbraw/zinc/69/88/00/969698800.db2.gz OGUCMWVPOMKTOC-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1CCC[N@@H+](C)CC1 ZINC001254520572 969698808 /nfs/dbraw/zinc/69/88/08/969698808.db2.gz OGUCMWVPOMKTOC-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001254518523 969700277 /nfs/dbraw/zinc/70/02/77/969700277.db2.gz BVDXJATUMKLJJR-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001254518523 969700287 /nfs/dbraw/zinc/70/02/87/969700287.db2.gz BVDXJATUMKLJJR-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001254518523 969700301 /nfs/dbraw/zinc/70/03/01/969700301.db2.gz BVDXJATUMKLJJR-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+](Cc1cccnc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254516801 969703813 /nfs/dbraw/zinc/70/38/13/969703813.db2.gz PVBHIRGYVAOAEN-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254516801 969703823 /nfs/dbraw/zinc/70/38/23/969703823.db2.gz PVBHIRGYVAOAEN-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1cccnc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254516801 969703829 /nfs/dbraw/zinc/70/38/29/969703829.db2.gz PVBHIRGYVAOAEN-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1cccnc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516801 969703836 /nfs/dbraw/zinc/70/38/36/969703836.db2.gz PVBHIRGYVAOAEN-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP CC(C)[N@@H+](CCCO)[C@@H]1CCC[NH+](C)CC1 ZINC001254521928 969709054 /nfs/dbraw/zinc/70/90/54/969709054.db2.gz AFAKJLFRACAGOA-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)[NH+](CCCO)[C@@H]1CCC[N@H+](C)CC1 ZINC001254521928 969709064 /nfs/dbraw/zinc/70/90/64/969709064.db2.gz AFAKJLFRACAGOA-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)[NH+](CCCO)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254521928 969709068 /nfs/dbraw/zinc/70/90/68/969709068.db2.gz AFAKJLFRACAGOA-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)(O)C2)CC1 ZINC001254524382 969711391 /nfs/dbraw/zinc/71/13/91/969711391.db2.gz WHTCCIYXRHYILA-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP CCOC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522978 969711728 /nfs/dbraw/zinc/71/17/28/969711728.db2.gz LICFGNGZASZZAN-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254525065 969716172 /nfs/dbraw/zinc/71/61/72/969716172.db2.gz FPMQDISIXZISPW-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254525065 969716175 /nfs/dbraw/zinc/71/61/75/969716175.db2.gz FPMQDISIXZISPW-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525065 969716182 /nfs/dbraw/zinc/71/61/82/969716182.db2.gz FPMQDISIXZISPW-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[NH2+]CCN([C@H]1CCC[N@@H+](C)CC1)C(C)(C)C ZINC001254528751 969720033 /nfs/dbraw/zinc/72/00/33/969720033.db2.gz AAABMFORSAPHQY-ZDUSSCGKSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)[C@H](C)CO1 ZINC001254528517 969720776 /nfs/dbraw/zinc/72/07/76/969720776.db2.gz GKMDUCQIYIZRRB-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)[C@H](C)CO1 ZINC001254528517 969720780 /nfs/dbraw/zinc/72/07/80/969720780.db2.gz GKMDUCQIYIZRRB-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)[C@H](C)CO1 ZINC001254528517 969720788 /nfs/dbraw/zinc/72/07/88/969720788.db2.gz GKMDUCQIYIZRRB-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)[C@H](C)CO1 ZINC001254528517 969720795 /nfs/dbraw/zinc/72/07/95/969720795.db2.gz GKMDUCQIYIZRRB-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP CC[N@@H+](CC(C)(C)O)[C@@H]1CCC[NH+](C)CC1 ZINC001254530240 969732543 /nfs/dbraw/zinc/73/25/43/969732543.db2.gz VNPWROFCLPQGRZ-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC(C)(C)O)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530240 969732549 /nfs/dbraw/zinc/73/25/49/969732549.db2.gz VNPWROFCLPQGRZ-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC(C)(C)O)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530240 969732562 /nfs/dbraw/zinc/73/25/62/969732562.db2.gz VNPWROFCLPQGRZ-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[N@H+](CCC[NH3+])[C@@H]1CC2CCN(CC2)C1 ZINC001254837451 969800040 /nfs/dbraw/zinc/80/00/40/969800040.db2.gz UXCDUCOCSAKEBJ-CQSZACIVSA-N 2 1 239.407 1.532 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC2CCN(CC2)C1 ZINC001254837451 969800043 /nfs/dbraw/zinc/80/00/43/969800043.db2.gz UXCDUCOCSAKEBJ-CQSZACIVSA-N 2 1 239.407 1.532 20 0 BDADMP CCC[N@@H+](CCC[NH3+])C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254922875 969822270 /nfs/dbraw/zinc/82/22/70/969822270.db2.gz XCMSSRAECNZVHO-VXGBXAGGSA-N 2 1 238.375 1.805 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC001255044038 969864953 /nfs/dbraw/zinc/86/49/53/969864953.db2.gz HSEAMPOSZAWFHZ-DGCLKSJQSA-N 2 1 224.348 1.049 20 0 BDADMP CCCC[C@@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001255332601 970115285 /nfs/dbraw/zinc/11/52/85/970115285.db2.gz BZJRIICRXYVIJQ-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001255337113 970119297 /nfs/dbraw/zinc/11/92/97/970119297.db2.gz AEWPWFUJNRHGOT-WDEREUQCSA-N 2 1 242.363 1.435 20 0 BDADMP C[N@H+]1CC[C@@H](N(CCC[NH3+])C2CCCCC2)C1 ZINC001255411505 970127121 /nfs/dbraw/zinc/12/71/21/970127121.db2.gz GVVKTWQXUIBGDX-CQSZACIVSA-N 2 1 239.407 1.674 20 0 BDADMP CN1CC[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001255411505 970127125 /nfs/dbraw/zinc/12/71/25/970127125.db2.gz GVVKTWQXUIBGDX-CQSZACIVSA-N 2 1 239.407 1.674 20 0 BDADMP CN1CC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001255411505 970127129 /nfs/dbraw/zinc/12/71/29/970127129.db2.gz GVVKTWQXUIBGDX-CQSZACIVSA-N 2 1 239.407 1.674 20 0 BDADMP C[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(F)c(F)c2)C1 ZINC001255411653 970130441 /nfs/dbraw/zinc/13/04/41/970130441.db2.gz KCJGFYDQZFRVDC-VIFPVBQESA-N 2 1 239.269 1.584 20 0 BDADMP C[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(F)c(F)c2)C1 ZINC001255411653 970130445 /nfs/dbraw/zinc/13/04/45/970130445.db2.gz KCJGFYDQZFRVDC-VIFPVBQESA-N 2 1 239.269 1.584 20 0 BDADMP C[N@H+]1CC[C@H](n2ccc3c2cccc3C[NH3+])C1 ZINC001255412138 970131307 /nfs/dbraw/zinc/13/13/07/970131307.db2.gz LJENJHUUQPAIPY-LBPRGKRZSA-N 2 1 229.327 1.977 20 0 BDADMP C[N@H+]1CC[C@@H](n2ccc3ccc(C[NH3+])cc32)C1 ZINC001255411354 970132662 /nfs/dbraw/zinc/13/26/62/970132662.db2.gz GJHFJLDEFHMXCE-CYBMUJFWSA-N 2 1 229.327 1.977 20 0 BDADMP CCCC[N@H+](CC)CCN[C@@H]1CCC[NH+](C)C1 ZINC001255467586 970193100 /nfs/dbraw/zinc/19/31/00/970193100.db2.gz FHJMDUJHKDYYGS-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@@H]1CCC[NH+](C)C1 ZINC001255467586 970193107 /nfs/dbraw/zinc/19/31/07/970193107.db2.gz FHJMDUJHKDYYGS-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](CC)CCN[C@@H]1CCC[N@H+](C)C1 ZINC001255467586 970193112 /nfs/dbraw/zinc/19/31/12/970193112.db2.gz FHJMDUJHKDYYGS-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](CC)CCN[C@@H]1CCC[N@@H+](C)C1 ZINC001255467586 970193115 /nfs/dbraw/zinc/19/31/15/970193115.db2.gz FHJMDUJHKDYYGS-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP C[N@H+]1CCC[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001255468018 970193833 /nfs/dbraw/zinc/19/38/33/970193833.db2.gz OELLWORNEORRPN-KBPBESRZSA-N 2 1 245.370 1.471 20 0 BDADMP CCC[NH+](CCC)CCN[C@H]1CCC[N@@H+](C)C1 ZINC001255468274 970195356 /nfs/dbraw/zinc/19/53/56/970195356.db2.gz RPDWSTRATNKXNA-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CN(C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC001255479288 970212456 /nfs/dbraw/zinc/21/24/56/970212456.db2.gz GDPKVKGKHNDCOY-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP Cc1nc2c(n1[C@H]1CCC[N@H+](C)C1)CC[NH2+]CC2 ZINC001255484341 970224862 /nfs/dbraw/zinc/22/48/62/970224862.db2.gz XPBPSQKUSFLEDG-LBPRGKRZSA-N 2 1 248.374 1.146 20 0 BDADMP C[NH2+]Cc1ccc(N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001255486489 970232795 /nfs/dbraw/zinc/23/27/95/970232795.db2.gz LZQMLHZPYWEEDP-CQSZACIVSA-N 2 1 233.359 1.912 20 0 BDADMP CN(CCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC001255486438 970233901 /nfs/dbraw/zinc/23/39/01/970233901.db2.gz LFWRCWSXGHJOKI-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CN(CCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC001255486440 970236126 /nfs/dbraw/zinc/23/61/26/970236126.db2.gz LFWRCWSXGHJOKI-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[N@@H+](C)C1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001255495495 970257659 /nfs/dbraw/zinc/25/76/59/970257659.db2.gz QMELTKABHHALGL-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](C)C1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001255495495 970257681 /nfs/dbraw/zinc/25/76/81/970257681.db2.gz QMELTKABHHALGL-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](C)C1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001255495495 970257689 /nfs/dbraw/zinc/25/76/89/970257689.db2.gz QMELTKABHHALGL-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001170147738 970441548 /nfs/dbraw/zinc/44/15/48/970441548.db2.gz FFXNSMWFIRYZNB-FVCCEPFGSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001170147738 970441554 /nfs/dbraw/zinc/44/15/54/970441554.db2.gz FFXNSMWFIRYZNB-FVCCEPFGSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001170147738 970441559 /nfs/dbraw/zinc/44/15/59/970441559.db2.gz FFXNSMWFIRYZNB-FVCCEPFGSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H](C[NH3+])CN(C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255672041 970453763 /nfs/dbraw/zinc/45/37/63/970453763.db2.gz WDSUHVXXQMHMSL-ICIURTGMSA-N 2 1 239.407 1.528 20 0 BDADMP C[C@H](Cc1ccccc1F)N[C@@H]1C[C@H]1[NH3+] ZINC001255834595 970506473 /nfs/dbraw/zinc/50/64/73/970506473.db2.gz LSERHHFIACLODN-GGZOMVNGSA-N 2 1 208.280 1.446 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])CCO1 ZINC001170163768 970515945 /nfs/dbraw/zinc/51/59/45/970515945.db2.gz ALCQJIXXKOVUIS-ZJUUUORDSA-N 2 1 200.326 1.271 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400011735 970540558 /nfs/dbraw/zinc/54/05/58/970540558.db2.gz WMEUZJKMIKWSAO-KBPBESRZSA-N 2 1 238.375 1.175 20 0 BDADMP CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCC[N@H+]1C ZINC001255943258 970577137 /nfs/dbraw/zinc/57/71/37/970577137.db2.gz LCCAJLGMOOFVMO-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC001255943258 970577149 /nfs/dbraw/zinc/57/71/49/970577149.db2.gz LCCAJLGMOOFVMO-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H](O)CC[C@H]1C ZINC001255956009 970592585 /nfs/dbraw/zinc/59/25/85/970592585.db2.gz FOZBWKRBFPCVJB-RDBSUJKOSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@@]1([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H](O)C1 ZINC001256067217 970632338 /nfs/dbraw/zinc/63/23/38/970632338.db2.gz GUIHEBDGXYYCRP-JOCQHMNTSA-N 2 1 224.348 1.116 20 0 BDADMP C[N@H+](CC1COC1)C1CC[NH+](C2CC2)CC1 ZINC001256080599 970647802 /nfs/dbraw/zinc/64/78/02/970647802.db2.gz ZOPFYPMAEYOFQA-UHFFFAOYSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@@H+](CC1COC1)C1CC[NH+](C2CC2)CC1 ZINC001256080599 970647808 /nfs/dbraw/zinc/64/78/08/970647808.db2.gz ZOPFYPMAEYOFQA-UHFFFAOYSA-N 2 1 224.348 1.191 20 0 BDADMP CCO[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256081373 970649873 /nfs/dbraw/zinc/64/98/73/970649873.db2.gz BKQCGCOEHHBEPU-CQSZACIVSA-N 2 1 238.375 1.724 20 0 BDADMP CCO[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256081373 970649879 /nfs/dbraw/zinc/64/98/79/970649879.db2.gz BKQCGCOEHHBEPU-CQSZACIVSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CCC([NH2+]C2(C)CCOCC2)CC1 ZINC001256194371 970683074 /nfs/dbraw/zinc/68/30/74/970683074.db2.gz BRVYBCDETAOOSX-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH+]1CCC([NH2+]C23CCC(O)(CC2)CC3)CC1 ZINC001256197605 970691504 /nfs/dbraw/zinc/69/15/04/970691504.db2.gz MROUXGKLUVKAET-UHFFFAOYSA-N 2 1 238.375 1.508 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](NC2CC[NH+](C)CC2)C1 ZINC001256198201 970692564 /nfs/dbraw/zinc/69/25/64/970692564.db2.gz DESMQQBRPCCARN-AWEZNQCLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CCN(C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001256209213 970708806 /nfs/dbraw/zinc/70/88/06/970708806.db2.gz PCPHMWRCVDPSDK-UHFFFAOYSA-N 2 1 239.407 1.497 20 0 BDADMP CCCOC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256207182 970709041 /nfs/dbraw/zinc/70/90/41/970709041.db2.gz BFYRJALIEBFXPZ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246540341 972559350 /nfs/dbraw/zinc/55/93/50/972559350.db2.gz GITUMLLBQLFWBR-STQMWFEESA-N 2 1 233.359 1.826 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246541439 972565057 /nfs/dbraw/zinc/56/50/57/972565057.db2.gz YUAXZHZQJRJBBU-OBJOEFQTSA-N 2 1 233.359 1.824 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246541439 972565071 /nfs/dbraw/zinc/56/50/71/972565071.db2.gz YUAXZHZQJRJBBU-OBJOEFQTSA-N 2 1 233.359 1.824 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246547441 972670266 /nfs/dbraw/zinc/67/02/66/972670266.db2.gz PQABBCIVICXZBW-RYUDHWBXSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246552782 972740236 /nfs/dbraw/zinc/74/02/36/972740236.db2.gz VEVBGGIMLQNCJZ-MQYQWHSLSA-N 2 1 240.391 1.610 20 0 BDADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246556288 972758579 /nfs/dbraw/zinc/75/85/79/972758579.db2.gz IXXPWVDMGUPLNV-JHJVBQTASA-N 2 1 228.380 1.595 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246556288 972758586 /nfs/dbraw/zinc/75/85/86/972758586.db2.gz IXXPWVDMGUPLNV-JHJVBQTASA-N 2 1 228.380 1.595 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556130 972760562 /nfs/dbraw/zinc/76/05/62/972760562.db2.gz YKIHAHFHOBAKJM-UPJWGTAASA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556130 972760574 /nfs/dbraw/zinc/76/05/74/972760574.db2.gz YKIHAHFHOBAKJM-UPJWGTAASA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC[NH2+]1 ZINC001246566044 972805234 /nfs/dbraw/zinc/80/52/34/972805234.db2.gz RJPDQIQJFHSFCG-NDBYEHHHSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246568153 972823550 /nfs/dbraw/zinc/82/35/50/972823550.db2.gz ZSSUDCDUHSYOMN-UPJWGTAASA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246568153 972823557 /nfs/dbraw/zinc/82/35/57/972823557.db2.gz ZSSUDCDUHSYOMN-UPJWGTAASA-N 3 1 239.407 1.576 20 0 BDADMP CN1CC[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246571325 972850469 /nfs/dbraw/zinc/85/04/69/972850469.db2.gz BEZMXSIUPLVSPE-CHWSQXEVSA-N 2 1 225.380 1.141 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246578478 972900975 /nfs/dbraw/zinc/90/09/75/972900975.db2.gz VKLPDSQLYVPGLA-MCIONIFRSA-N 2 1 237.391 1.202 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2Cc3ccccc3C2)CC[C@H]1F ZINC001246592790 972999389 /nfs/dbraw/zinc/99/93/89/972999389.db2.gz VYYSPOOQXJKIQD-HUUCEWRRSA-N 2 1 248.345 1.915 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2Cc3ccccc3C2)CC[C@H]1F ZINC001246592790 972999409 /nfs/dbraw/zinc/99/94/09/972999409.db2.gz VYYSPOOQXJKIQD-HUUCEWRRSA-N 2 1 248.345 1.915 20 0 BDADMP C1[NH2+]CC12CCC([N@H+]1C[C@H]3CCC[NH2+][C@H]3C1)CC2 ZINC001246656153 973068501 /nfs/dbraw/zinc/06/85/01/973068501.db2.gz JEFXJAQECZSINH-OCCSQVGLSA-N 3 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12CCC([N@@H+]1C[C@H]3CCCN[C@H]3C1)CC2 ZINC001246656153 973068509 /nfs/dbraw/zinc/06/85/09/973068509.db2.gz JEFXJAQECZSINH-OCCSQVGLSA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12CCC([N@H+]1C[C@H]3CCCN[C@H]3C1)CC2 ZINC001246656153 973068518 /nfs/dbraw/zinc/06/85/18/973068518.db2.gz JEFXJAQECZSINH-OCCSQVGLSA-N 2 1 249.402 1.202 20 0 BDADMP C[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H]1C ZINC001246792854 973096642 /nfs/dbraw/zinc/09/66/42/973096642.db2.gz YCNNJAIQJBYUOD-FRRDWIJNSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246831341 973133361 /nfs/dbraw/zinc/13/33/61/973133361.db2.gz CVKAAZHZZJLRSG-FXJUQPSGSA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246831341 973133372 /nfs/dbraw/zinc/13/33/72/973133372.db2.gz CVKAAZHZZJLRSG-FXJUQPSGSA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856502 973172921 /nfs/dbraw/zinc/17/29/21/973172921.db2.gz XMRJGNRZFYUJAY-OBJOEFQTSA-N 3 1 235.375 1.084 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856502 973172931 /nfs/dbraw/zinc/17/29/31/973172931.db2.gz XMRJGNRZFYUJAY-OBJOEFQTSA-N 3 1 235.375 1.084 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001328677782 973261551 /nfs/dbraw/zinc/26/15/51/973261551.db2.gz UXKDAXWNHBHPSV-SECBINFHSA-N 2 1 227.739 1.680 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1scnc1C ZINC001328677406 973262190 /nfs/dbraw/zinc/26/21/90/973262190.db2.gz MXQZRVGZEZDUHT-MRVPVSSYSA-N 2 1 213.350 1.539 20 0 BDADMP CC1(C)CCC[C@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)C1 ZINC001246876268 973307958 /nfs/dbraw/zinc/30/79/58/973307958.db2.gz YPADUIUDWXCJQC-GVXVVHGQSA-N 2 1 208.349 1.988 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)C1 ZINC001246876268 973307968 /nfs/dbraw/zinc/30/79/68/973307968.db2.gz YPADUIUDWXCJQC-GVXVVHGQSA-N 2 1 208.349 1.988 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246910092 973429772 /nfs/dbraw/zinc/42/97/72/973429772.db2.gz JYHUGKYDTGTZHI-MCIONIFRSA-N 2 1 239.407 1.541 20 0 BDADMP [NH3+]CCCC[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224119557 973454071 /nfs/dbraw/zinc/45/40/71/973454071.db2.gz RARSWMZIDDBSMU-JSGCOSHPSA-N 2 1 245.370 1.866 20 0 BDADMP C[C@H](Cc1ccccn1)[N@H+]1CCC[C@@H]1CN ZINC001246913106 973454889 /nfs/dbraw/zinc/45/48/89/973454889.db2.gz KBFINRKUZDSJIY-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]1C[NH3+])C2 ZINC001246918984 973482370 /nfs/dbraw/zinc/48/23/70/973482370.db2.gz YWIBKDHGTDZCNF-XQHKEYJVSA-N 2 1 223.364 1.035 20 0 BDADMP C[C@@H]1CC[C@H](N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246921714 973495878 /nfs/dbraw/zinc/49/58/78/973495878.db2.gz VFSMGQQOWQGLAR-YIYPIFLZSA-N 2 1 237.391 1.153 20 0 BDADMP C1CC12CCC([N@@H+]1C[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246922709 973509348 /nfs/dbraw/zinc/50/93/48/973509348.db2.gz WPGATKCQSRVMRF-ZYHUDNBSSA-N 2 1 206.333 1.613 20 0 BDADMP C1CC12CCC([N@H+]1C[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246922709 973509361 /nfs/dbraw/zinc/50/93/61/973509361.db2.gz WPGATKCQSRVMRF-ZYHUDNBSSA-N 2 1 206.333 1.613 20 0 BDADMP C[C@H](C[NH+](C)C)OC[C@H]1CCCC[N@H+]1C ZINC001224701502 973868010 /nfs/dbraw/zinc/86/80/10/973868010.db2.gz GTLCFJMCRWBTCO-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP CC[N@H+]1CCC[C@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224704611 973874848 /nfs/dbraw/zinc/87/48/48/973874848.db2.gz BFEMNGPQMXGTKO-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC[C@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224704611 973874855 /nfs/dbraw/zinc/87/48/55/973874855.db2.gz BFEMNGPQMXGTKO-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC[C@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224704611 973874858 /nfs/dbraw/zinc/87/48/58/973874858.db2.gz BFEMNGPQMXGTKO-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)C[N@@H+](CCN)CC1CC[NH+](C)CC1 ZINC000691561536 974042435 /nfs/dbraw/zinc/04/24/35/974042435.db2.gz JBENRQPWMTZRRL-UHFFFAOYSA-N 2 1 227.396 1.245 20 0 BDADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@H]([NH3+])C1)C2 ZINC001171550860 974093540 /nfs/dbraw/zinc/09/35/40/974093540.db2.gz LXZYVJGGPBHNKG-UONOGXRCSA-N 2 1 230.355 1.885 20 0 BDADMP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@H]([NH3+])C1)C2 ZINC001171550860 974093556 /nfs/dbraw/zinc/09/35/56/974093556.db2.gz LXZYVJGGPBHNKG-UONOGXRCSA-N 2 1 230.355 1.885 20 0 BDADMP CC[N@H+]1CCC[C@@H](OCCCC[NH+](C)C)C1 ZINC001224991288 974122505 /nfs/dbraw/zinc/12/25/05/974122505.db2.gz QLLZRCRAKWMGAZ-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cn1 ZINC001330199282 974158202 /nfs/dbraw/zinc/15/82/02/974158202.db2.gz TTXDZMJUVVVADE-DGCLKSJQSA-N 2 1 249.358 1.220 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171773307 974158432 /nfs/dbraw/zinc/15/84/32/974158432.db2.gz JETDJBQCUXGZDK-WCQYABFASA-N 2 1 248.345 1.834 20 0 BDADMP N[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1F ZINC001206153247 974257849 /nfs/dbraw/zinc/25/78/49/974257849.db2.gz CJMQIIZDJKJLEQ-FRRDWIJNSA-N 2 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1F ZINC001206153247 974257860 /nfs/dbraw/zinc/25/78/60/974257860.db2.gz CJMQIIZDJKJLEQ-FRRDWIJNSA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1F ZINC001206153247 974257870 /nfs/dbraw/zinc/25/78/70/974257870.db2.gz CJMQIIZDJKJLEQ-FRRDWIJNSA-N 3 1 243.370 1.137 20 0 BDADMP N[C@@H]1CC[N@@H+](CCCCCC[NH3+])CC[C@@H]1F ZINC001206155615 974330700 /nfs/dbraw/zinc/33/07/00/974330700.db2.gz MSMVOEWECXMDKP-NWDGAFQWSA-N 3 1 231.359 1.267 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206155615 974330708 /nfs/dbraw/zinc/33/07/08/974330708.db2.gz MSMVOEWECXMDKP-NWDGAFQWSA-N 3 1 231.359 1.267 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206155615 974330716 /nfs/dbraw/zinc/33/07/16/974330716.db2.gz MSMVOEWECXMDKP-NWDGAFQWSA-N 3 1 231.359 1.267 20 0 BDADMP N[C@H]1CC[N@@H+](CCCCCC[NH3+])CC[C@H]1F ZINC001206155614 974333298 /nfs/dbraw/zinc/33/32/98/974333298.db2.gz MSMVOEWECXMDKP-NEPJUHHUSA-N 3 1 231.359 1.267 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206155614 974333305 /nfs/dbraw/zinc/33/33/05/974333305.db2.gz MSMVOEWECXMDKP-NEPJUHHUSA-N 3 1 231.359 1.267 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206155614 974333311 /nfs/dbraw/zinc/33/33/11/974333311.db2.gz MSMVOEWECXMDKP-NEPJUHHUSA-N 3 1 231.359 1.267 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098397 974336313 /nfs/dbraw/zinc/33/63/13/974336313.db2.gz CYQVCAKMRKWFNU-XGFWRYKXSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098397 974336320 /nfs/dbraw/zinc/33/63/20/974336320.db2.gz CYQVCAKMRKWFNU-XGFWRYKXSA-N 2 1 238.375 1.769 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099105 974342271 /nfs/dbraw/zinc/34/22/71/974342271.db2.gz FHRCOVYSEWPSMJ-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099105 974342275 /nfs/dbraw/zinc/34/22/75/974342275.db2.gz FHRCOVYSEWPSMJ-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nccc1C[NH3+])C2 ZINC001172100706 974346167 /nfs/dbraw/zinc/34/61/67/974346167.db2.gz RPMAZJUKSRSIPW-PJXYFTJBSA-N 2 1 234.347 1.530 20 0 BDADMP CCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105700 974366707 /nfs/dbraw/zinc/36/67/07/974366707.db2.gz JHNXWNWGXOERPY-FQUUOJAGSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105700 974366717 /nfs/dbraw/zinc/36/67/17/974366717.db2.gz JHNXWNWGXOERPY-FQUUOJAGSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H](CO)C1)C2 ZINC001172108047 974368819 /nfs/dbraw/zinc/36/88/19/974368819.db2.gz OLXUUFVPSQGEGD-HLHWALHNSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H](CO)C1)C2 ZINC001172108047 974368830 /nfs/dbraw/zinc/36/88/30/974368830.db2.gz OLXUUFVPSQGEGD-HLHWALHNSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(O)CCC1)C2 ZINC001172104194 974369805 /nfs/dbraw/zinc/36/98/05/974369805.db2.gz ANQHXGNNQPZMFP-CLLJXQQHSA-N 2 1 238.375 1.506 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(C)([NH3+])C1)C2 ZINC001172108431 974371456 /nfs/dbraw/zinc/37/14/56/974371456.db2.gz ADWTVGDICCNATJ-ZSBIGDGJSA-N 2 1 223.364 1.035 20 0 BDADMP CN1CC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172110302 974375521 /nfs/dbraw/zinc/37/55/21/974375521.db2.gz MKDLWTCTVCXASM-ZSOGYDGISA-N 2 1 237.391 1.153 20 0 BDADMP C[C@H]1COCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121030 974391872 /nfs/dbraw/zinc/39/18/72/974391872.db2.gz ODSDQOGAHLNEAA-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121030 974391883 /nfs/dbraw/zinc/39/18/83/974391883.db2.gz ODSDQOGAHLNEAA-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121030 974391898 /nfs/dbraw/zinc/39/18/98/974391898.db2.gz ODSDQOGAHLNEAA-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121030 974391910 /nfs/dbraw/zinc/39/19/10/974391910.db2.gz ODSDQOGAHLNEAA-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(O)C1)C2 ZINC001172122112 974393542 /nfs/dbraw/zinc/39/35/42/974393542.db2.gz XEPMPRQGVLZRBV-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(O)C1)C2 ZINC001172122112 974393549 /nfs/dbraw/zinc/39/35/49/974393549.db2.gz XEPMPRQGVLZRBV-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@](C)(O)C1)C2 ZINC001172122112 974393557 /nfs/dbraw/zinc/39/35/57/974393557.db2.gz XEPMPRQGVLZRBV-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@](C)(O)C1)C2 ZINC001172122112 974393568 /nfs/dbraw/zinc/39/35/68/974393568.db2.gz XEPMPRQGVLZRBV-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223306 974458799 /nfs/dbraw/zinc/45/87/99/974458799.db2.gz CAAFRXNOSHFUGE-JWURUJNWSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223306 974458805 /nfs/dbraw/zinc/45/88/05/974458805.db2.gz CAAFRXNOSHFUGE-JWURUJNWSA-N 2 1 238.375 1.626 20 0 BDADMP CC[NH+]1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172233209 974477525 /nfs/dbraw/zinc/47/75/25/974477525.db2.gz SNMVTJCWHNYRGY-AGUYFDCRSA-N 2 1 236.359 1.546 20 0 BDADMP [NH3+]CC1([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172199695 974482384 /nfs/dbraw/zinc/48/23/84/974482384.db2.gz DAFDBWNBULOWRD-NSHDSACASA-N 2 1 234.368 1.784 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001206163527 974488920 /nfs/dbraw/zinc/48/89/20/974488920.db2.gz DEMOOEZOKVEPQP-STQMWFEESA-N 2 1 238.306 1.653 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ncccc2O)CC[C@@H]1F ZINC001206163490 974491116 /nfs/dbraw/zinc/49/11/16/974491116.db2.gz CNPPSPRFOBONTI-VHSXEESVSA-N 2 1 239.294 1.048 20 0 BDADMP COCCC[NH+]1CCC([N@H+](C)C(C)C)CC1 ZINC001172249615 974514241 /nfs/dbraw/zinc/51/42/41/974514241.db2.gz LNONRSVTDKTAML-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP COCCC[NH+]1CCC([N@@H+](C)C(C)C)CC1 ZINC001172249615 974514244 /nfs/dbraw/zinc/51/42/44/974514244.db2.gz LNONRSVTDKTAML-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172408122 974669449 /nfs/dbraw/zinc/66/94/49/974669449.db2.gz FEUXQAZDVXEZCW-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cnccn2)CC1(C)C ZINC001331693703 974794115 /nfs/dbraw/zinc/79/41/15/974794115.db2.gz VTJHELXKYWEBLK-GFCCVEGCSA-N 2 1 248.374 1.482 20 0 BDADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2C[C@@H]2C)C1 ZINC001331900111 974857079 /nfs/dbraw/zinc/85/70/79/974857079.db2.gz CADCJDCVMQNIOC-QJPTWQEYSA-N 2 1 238.379 1.241 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2ncsc2C1 ZINC001173131945 975043235 /nfs/dbraw/zinc/04/32/35/975043235.db2.gz NRUATEIRGRDQBF-UWVGGRQHSA-N 2 1 239.388 1.527 20 0 BDADMP Nc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197250 975089174 /nfs/dbraw/zinc/08/91/74/975089174.db2.gz HBLDORQLXRWNNM-DGCLKSJQSA-N 2 1 237.322 1.530 20 0 BDADMP Nc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197250 975089178 /nfs/dbraw/zinc/08/91/78/975089178.db2.gz HBLDORQLXRWNNM-DGCLKSJQSA-N 2 1 237.322 1.530 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(F)n2)C12CCC2 ZINC001332422782 975108763 /nfs/dbraw/zinc/10/87/63/975108763.db2.gz YKSVSKFGSJFDEV-QWRGUYRKSA-N 2 1 235.306 1.580 20 0 BDADMP CCSC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001173311803 975222776 /nfs/dbraw/zinc/22/27/76/975222776.db2.gz OZRUTWJEWQYMIT-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CCSC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001173311803 975222785 /nfs/dbraw/zinc/22/27/85/975222785.db2.gz OZRUTWJEWQYMIT-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@H]1CC[NH+](CC)C1 ZINC001173351010 975294289 /nfs/dbraw/zinc/29/42/89/975294289.db2.gz RVEORPKERGVFMA-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](CC)CCN[C@H]1CC[N@H+](CC)C1 ZINC001173351010 975294297 /nfs/dbraw/zinc/29/42/97/975294297.db2.gz RVEORPKERGVFMA-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](CC)CCN[C@H]1CC[N@@H+](CC)C1 ZINC001173351010 975294303 /nfs/dbraw/zinc/29/43/03/975294303.db2.gz RVEORPKERGVFMA-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2ccc(C[NH3+])nc2)C1 ZINC001173356920 975316105 /nfs/dbraw/zinc/31/61/05/975316105.db2.gz HJTXREHQFZARIX-LBPRGKRZSA-N 2 1 220.320 1.046 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[NH+](C2)[C@H]3C)C1 ZINC001173359351 975324317 /nfs/dbraw/zinc/32/43/17/975324317.db2.gz MJOVNGLHIGFPHQ-CRWXNKLISA-N 2 1 237.391 1.153 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[N@H+](C2)[C@H]3C)C1 ZINC001173359351 975324323 /nfs/dbraw/zinc/32/43/23/975324323.db2.gz MJOVNGLHIGFPHQ-CRWXNKLISA-N 2 1 237.391 1.153 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[N@@H+](C2)[C@H]3C)C1 ZINC001173359351 975324328 /nfs/dbraw/zinc/32/43/28/975324328.db2.gz MJOVNGLHIGFPHQ-CRWXNKLISA-N 2 1 237.391 1.153 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[N@@H+](C2)[C@H]3C)C1 ZINC001173359351 975324338 /nfs/dbraw/zinc/32/43/38/975324338.db2.gz MJOVNGLHIGFPHQ-CRWXNKLISA-N 2 1 237.391 1.153 20 0 BDADMP CC[N@H+]1CC[C@@H](n2cnc3cccc(C[NH3+])c32)C1 ZINC001173361782 975336000 /nfs/dbraw/zinc/33/60/00/975336000.db2.gz XATVAWCDEKQETO-GFCCVEGCSA-N 2 1 244.342 1.762 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173474734 975380081 /nfs/dbraw/zinc/38/00/81/975380081.db2.gz HDXHEFHKLFJIAB-UHFFFAOYSA-N 2 1 240.297 1.759 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@@H]1CCOC1 ZINC001333487479 975810096 /nfs/dbraw/zinc/81/00/96/975810096.db2.gz HZQHGFXPQLZLHZ-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP [NH3+]CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC001334391061 976489260 /nfs/dbraw/zinc/48/92/60/976489260.db2.gz QOCLJYUKTZXGHY-BARDWOONSA-N 3 1 245.370 1.274 20 0 BDADMP CC[N@@H+]1CC[C@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230506835 977225700 /nfs/dbraw/zinc/22/57/00/977225700.db2.gz HSVGXGNFBMMIBH-JTQLQIEISA-N 2 1 246.314 1.618 20 0 BDADMP CC[N@H+]1CC[C@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230506835 977225708 /nfs/dbraw/zinc/22/57/08/977225708.db2.gz HSVGXGNFBMMIBH-JTQLQIEISA-N 2 1 246.314 1.618 20 0 BDADMP CC[N@@H+]1CC[C@@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230506836 977227013 /nfs/dbraw/zinc/22/70/13/977227013.db2.gz HSVGXGNFBMMIBH-SNVBAGLBSA-N 2 1 246.314 1.618 20 0 BDADMP CC[N@H+]1CC[C@@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230506836 977227020 /nfs/dbraw/zinc/22/70/20/977227020.db2.gz HSVGXGNFBMMIBH-SNVBAGLBSA-N 2 1 246.314 1.618 20 0 BDADMP C[C@H](C[NH+](C)C)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230517267 977232438 /nfs/dbraw/zinc/23/24/38/977232438.db2.gz YDHOJKLGQAIRME-MRVPVSSYSA-N 2 1 234.303 1.474 20 0 BDADMP Cc1c[nH+]ccc1NC1=CCC[N@H+](C)C1 ZINC001175574415 977568840 /nfs/dbraw/zinc/56/88/40/977568840.db2.gz VJUXYLGCOBCAEJ-UHFFFAOYSA-N 2 1 203.289 1.443 20 0 BDADMP C[NH+](C)CCn1cc(NC2=CCC[N@@H+](C)C2)cn1 ZINC001175574031 977569533 /nfs/dbraw/zinc/56/95/33/977569533.db2.gz KUCZYJKZAIYNSK-UHFFFAOYSA-N 2 1 249.362 1.076 20 0 BDADMP CCC[N@H+]1CC[C@H](CNc2nccnc2C[NH3+])C1 ZINC001336496035 977720260 /nfs/dbraw/zinc/72/02/60/977720260.db2.gz TXCUSTHINNEBSN-LLVKDONJSA-N 2 1 249.362 1.079 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)Nc1nccnc1C[NH3+] ZINC001336649958 977829300 /nfs/dbraw/zinc/82/93/00/977829300.db2.gz CMWJXPLDIRJCPF-SNVBAGLBSA-N 2 1 237.351 1.076 20 0 BDADMP C[N@@H+](CCCCNc1nccnc1C[NH3+])C1CC1 ZINC001336649613 977831031 /nfs/dbraw/zinc/83/10/31/977831031.db2.gz MIOJISUVECJKJC-UHFFFAOYSA-N 2 1 249.362 1.222 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001232011010 977839572 /nfs/dbraw/zinc/83/95/72/977839572.db2.gz FZLLFBZGRDSTOG-YGRLFVJLSA-N 2 1 245.326 1.766 20 0 BDADMP C[N@H+]1CCCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012106 977840673 /nfs/dbraw/zinc/84/06/73/977840673.db2.gz SOHFATFIJKLNJY-UHFFFAOYSA-N 2 1 244.342 1.700 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011023 977841114 /nfs/dbraw/zinc/84/11/14/977841114.db2.gz GMNPPTJTAZBUSZ-MFKMUULPSA-N 2 1 245.326 1.908 20 0 BDADMP C[N@H+](Cc1cncc(O)c1)CC1CC[NH+](C)CC1 ZINC001232042813 977870713 /nfs/dbraw/zinc/87/07/13/977870713.db2.gz KFAXLZZJOKYRRW-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)on1 ZINC001277605181 977873702 /nfs/dbraw/zinc/87/37/02/977873702.db2.gz FXEDWWYANRTFNC-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)on1 ZINC001277605181 977873707 /nfs/dbraw/zinc/87/37/07/977873707.db2.gz FXEDWWYANRTFNC-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)on1 ZINC001277605181 977873709 /nfs/dbraw/zinc/87/37/09/977873709.db2.gz FXEDWWYANRTFNC-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001336738978 977898078 /nfs/dbraw/zinc/89/80/78/977898078.db2.gz KGHIFOTVPHCSAQ-JSGCOSHPSA-N 2 1 249.358 1.046 20 0 BDADMP CCO[C@@H](C[NH2+]CC1(OC)CCC1)C[NH+](C)C ZINC001336854978 977991833 /nfs/dbraw/zinc/99/18/33/977991833.db2.gz SSEYGBARVNWYJJ-LBPRGKRZSA-N 2 1 244.379 1.112 20 0 BDADMP CC[N@H+]1CC[C@H](N(CC[NH3+])Cc2ccccc2)C1 ZINC000328195140 978199966 /nfs/dbraw/zinc/19/99/66/978199966.db2.gz QIRVUKBZRHJKBV-HNNXBMFYSA-N 2 1 247.386 1.542 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC001206293100 978292106 /nfs/dbraw/zinc/29/21/06/978292106.db2.gz GHMBPAIROJZNES-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000328335197 978295238 /nfs/dbraw/zinc/29/52/38/978295238.db2.gz IWMBIRWEPXMZOF-BPCQOVAHSA-N 2 1 225.380 1.282 20 0 BDADMP CC(C)(C)[NH+]1CC(OCC[NH+]2CCCC2)C1 ZINC001206302540 978330717 /nfs/dbraw/zinc/33/07/17/978330717.db2.gz LJJVTRMXGCHAFA-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC000328456602 978357315 /nfs/dbraw/zinc/35/73/15/978357315.db2.gz FMOBDDWADZGDLS-CQSZACIVSA-N 2 1 239.407 1.546 20 0 BDADMP Cn1c[nH+]cc1N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277765942 978474303 /nfs/dbraw/zinc/47/43/03/978474303.db2.gz XMGIPRUESGBAIF-CYBMUJFWSA-N 2 1 234.347 1.342 20 0 BDADMP Cn1c[nH+]cc1N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277765248 978474894 /nfs/dbraw/zinc/47/48/94/978474894.db2.gz DCKMPHASCXMHFI-CQSZACIVSA-N 2 1 248.374 1.732 20 0 BDADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cnc1C ZINC001233160769 978482550 /nfs/dbraw/zinc/48/25/50/978482550.db2.gz GXAPGNXJTQRMAI-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP CC[N@H+](CCNc1cc(N)[nH+]cn1)C(C)C ZINC001337756928 978484960 /nfs/dbraw/zinc/48/49/60/978484960.db2.gz LBIMEPCHFIRIPP-UHFFFAOYSA-N 2 1 223.324 1.201 20 0 BDADMP CC[N@@H+](CCNc1cc(N)[nH+]cn1)C(C)C ZINC001337756928 978484964 /nfs/dbraw/zinc/48/49/64/978484964.db2.gz LBIMEPCHFIRIPP-UHFFFAOYSA-N 2 1 223.324 1.201 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)o1 ZINC001206318607 978520061 /nfs/dbraw/zinc/52/00/61/978520061.db2.gz RWLRKAJUMXHHFJ-ZDUSSCGKSA-N 2 1 237.347 1.934 20 0 BDADMP C[C@H]1C[N@@H+](CCCNc2cc[nH+]cc2)CCCO1 ZINC001339458351 978855537 /nfs/dbraw/zinc/85/55/37/978855537.db2.gz IBDHJYIEEBIOQW-ZDUSSCGKSA-N 2 1 249.358 1.416 20 0 BDADMP CC[NH+]1C[C@H]2CN(Cc3[nH]c(C)[nH+]c3C)C[C@@H]2C1 ZINC001234662623 978893674 /nfs/dbraw/zinc/89/36/74/978893674.db2.gz NEWXBRQPSBLQEQ-STQMWFEESA-N 2 1 248.374 1.410 20 0 BDADMP [NH3+][C@@H]1C[C@H](F)CN(Cc2[nH+]cn3ccccc23)C1 ZINC001206434299 978951312 /nfs/dbraw/zinc/95/13/12/978951312.db2.gz HWNREPKEMPHWNS-WDEREUQCSA-N 2 1 248.305 1.205 20 0 BDADMP Cc1ccccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051776 978964723 /nfs/dbraw/zinc/96/47/23/978964723.db2.gz LRFBTUSQAATNMF-HNNXBMFYSA-N 2 1 245.370 1.132 20 0 BDADMP Cc1ccccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051776 978964727 /nfs/dbraw/zinc/96/47/27/978964727.db2.gz LRFBTUSQAATNMF-HNNXBMFYSA-N 2 1 245.370 1.132 20 0 BDADMP CCC(CC)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053823 978965879 /nfs/dbraw/zinc/96/58/79/978965879.db2.gz KVKGXKGEXIMERC-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](C1CC1)C2 ZINC001277923573 978975347 /nfs/dbraw/zinc/97/53/47/978975347.db2.gz BXYGWIBAAMDINV-UHFFFAOYSA-N 2 1 237.391 1.108 20 0 BDADMP CC1(C[N@H+]2CCCC[C@]23CC[NH2+]C3)COC1 ZINC001235127569 978980863 /nfs/dbraw/zinc/98/08/63/978980863.db2.gz ZLAGVTFXRPKXEB-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP CC1(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)COC1 ZINC001235127569 978980859 /nfs/dbraw/zinc/98/08/59/978980859.db2.gz ZLAGVTFXRPKXEB-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP C(C[N@H+]1CCCC[C@]12CCC[NH2+]C2)C1C[NH2+]C1 ZINC001235174711 978990559 /nfs/dbraw/zinc/99/05/59/978990559.db2.gz VDZFAPUWVSZLEY-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C(CN1CCCC[C@]12CCC[NH2+]C2)C1C[NH2+]C1 ZINC001235174711 978990563 /nfs/dbraw/zinc/99/05/63/978990563.db2.gz VDZFAPUWVSZLEY-CQSZACIVSA-N 2 1 237.391 1.204 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001235187466 978991346 /nfs/dbraw/zinc/99/13/46/978991346.db2.gz ZLNFQXAUKDWUOM-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCCCCO)CC1 ZINC001181253267 979021820 /nfs/dbraw/zinc/02/18/20/979021820.db2.gz BMMHDGDMCFQJLF-UHFFFAOYSA-N 2 1 242.407 1.813 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429462 979046061 /nfs/dbraw/zinc/04/60/61/979046061.db2.gz YDSUAHLXRSAQJW-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429462 979046068 /nfs/dbraw/zinc/04/60/68/979046068.db2.gz YDSUAHLXRSAQJW-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235440323 979046587 /nfs/dbraw/zinc/04/65/87/979046587.db2.gz GGIHWRJLAWNBPY-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1CC[C@H]1CCC[NH2+]C1 ZINC001235440323 979046594 /nfs/dbraw/zinc/04/65/94/979046594.db2.gz GGIHWRJLAWNBPY-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H](O)C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277957349 979107343 /nfs/dbraw/zinc/10/73/43/979107343.db2.gz AZZARJGQGMWJTQ-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H]([NH3+])CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC001235675370 979110864 /nfs/dbraw/zinc/11/08/64/979110864.db2.gz WUFRJQFFYKZZHX-JSGCOSHPSA-N 2 1 233.359 1.322 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC3(CCCC3)C2)O1 ZINC001235724274 979136294 /nfs/dbraw/zinc/13/62/94/979136294.db2.gz FRLFHVHTKCBCAN-LBPRGKRZSA-N 2 1 238.375 1.977 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC3(CCCC3)C2)O1 ZINC001235724274 979136299 /nfs/dbraw/zinc/13/62/99/979136299.db2.gz FRLFHVHTKCBCAN-LBPRGKRZSA-N 2 1 238.375 1.977 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001235760028 979143923 /nfs/dbraw/zinc/14/39/23/979143923.db2.gz LSXKGZYMZUMERU-GFCCVEGCSA-N 2 1 220.320 1.352 20 0 BDADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001235958264 979224813 /nfs/dbraw/zinc/22/48/13/979224813.db2.gz CDUQTTLXOQQNRB-YIYPIFLZSA-N 3 1 237.391 1.045 20 0 BDADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(CC[C@H]1CCC[NH2+]C1)C2 ZINC001235958264 979224820 /nfs/dbraw/zinc/22/48/20/979224820.db2.gz CDUQTTLXOQQNRB-YIYPIFLZSA-N 2 1 237.391 1.045 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001235980938 979241205 /nfs/dbraw/zinc/24/12/05/979241205.db2.gz SKCRGWXIKKIMHC-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP C[C@H]([NH3+])CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001235972937 979244881 /nfs/dbraw/zinc/24/48/81/979244881.db2.gz ISJPKKPXMWZVBZ-MELADBBJSA-N 2 1 239.407 1.672 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235980519 979248857 /nfs/dbraw/zinc/24/88/57/979248857.db2.gz MZAHEWNWAPOQKY-KBPBESRZSA-N 2 1 216.328 1.918 20 0 BDADMP Cc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235980519 979248874 /nfs/dbraw/zinc/24/88/74/979248874.db2.gz MZAHEWNWAPOQKY-KBPBESRZSA-N 2 1 216.328 1.918 20 0 BDADMP Cc1ccsc1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235982269 979260979 /nfs/dbraw/zinc/26/09/79/979260979.db2.gz UYMJPWYLIQCGRO-PWSUYJOCSA-N 2 1 222.357 1.980 20 0 BDADMP Cc1ccsc1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235982269 979260991 /nfs/dbraw/zinc/26/09/91/979260991.db2.gz UYMJPWYLIQCGRO-PWSUYJOCSA-N 2 1 222.357 1.980 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1CN(Cc1[nH+]cc3ccccn31)C2 ZINC001235982926 979265724 /nfs/dbraw/zinc/26/57/24/979265724.db2.gz XVOGGXFPSBWJKD-BXUZGUMPSA-N 2 1 242.326 1.257 20 0 BDADMP CC(C)(C)CC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993816 979283266 /nfs/dbraw/zinc/28/32/66/979283266.db2.gz RGAZDHLCVFWIDW-FOSCPWQOSA-N 2 1 226.364 1.328 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001236071321 979358972 /nfs/dbraw/zinc/35/89/72/979358972.db2.gz JEDACMIHBSCBEI-CYBMUJFWSA-N 2 1 235.331 1.194 20 0 BDADMP [NH3+]CCCC[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001236071321 979358984 /nfs/dbraw/zinc/35/89/84/979358984.db2.gz JEDACMIHBSCBEI-CYBMUJFWSA-N 2 1 235.331 1.194 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+](C1CC1)[C@@H]1CCCNC1 ZINC001236237586 979464749 /nfs/dbraw/zinc/46/47/49/979464749.db2.gz SFGQDJSELPMIMV-CQSZACIVSA-N 2 1 237.391 1.202 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+](C1CC1)[C@@H]1CCCNC1 ZINC001236237586 979464753 /nfs/dbraw/zinc/46/47/53/979464753.db2.gz SFGQDJSELPMIMV-CQSZACIVSA-N 2 1 237.391 1.202 20 0 BDADMP [NH3+]C[C@H]1CCCN1Cc1[nH+]cn2ccccc12 ZINC001236246873 979467209 /nfs/dbraw/zinc/46/72/09/979467209.db2.gz LTSWJWIZTQBJDL-LLVKDONJSA-N 2 1 230.315 1.257 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2n[nH]cc21 ZINC001236247694 979469007 /nfs/dbraw/zinc/46/90/07/979469007.db2.gz WRRAEINRTZPFLL-LLVKDONJSA-N 2 1 230.315 1.486 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2n[nH]cc21 ZINC001236247694 979469010 /nfs/dbraw/zinc/46/90/10/979469010.db2.gz WRRAEINRTZPFLL-LLVKDONJSA-N 2 1 230.315 1.486 20 0 BDADMP Nc1cccnc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317447 979531423 /nfs/dbraw/zinc/53/14/23/979531423.db2.gz XROHHROSBRTKJF-TXEJJXNPSA-N 2 1 246.358 1.095 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c[nH]1 ZINC001236320739 979533679 /nfs/dbraw/zinc/53/36/79/979533679.db2.gz CYIMVHDPPIZQTC-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236320739 979533689 /nfs/dbraw/zinc/53/36/89/979533689.db2.gz CYIMVHDPPIZQTC-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236320739 979533693 /nfs/dbraw/zinc/53/36/93/979533693.db2.gz CYIMVHDPPIZQTC-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236321079 979533956 /nfs/dbraw/zinc/53/39/56/979533956.db2.gz OOTPYCYTAOUDMF-BETUJISGSA-N 2 1 249.358 1.723 20 0 BDADMP Cc1coc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236321708 979534453 /nfs/dbraw/zinc/53/44/53/979534453.db2.gz WEEULIGUIXHHSW-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCN(c2cccnc2)CC1 ZINC001236432891 979594336 /nfs/dbraw/zinc/59/43/36/979594336.db2.gz FFTCCTWJLAAZOW-UHFFFAOYSA-N 2 1 248.374 1.333 20 0 BDADMP CC(=O)Nc1cc(Nc2cc[nH+]c(N)c2)cc[nH+]1 ZINC001206535677 979610589 /nfs/dbraw/zinc/61/05/89/979610589.db2.gz NDJXCMLPIQIOIX-UHFFFAOYSA-N 2 1 243.270 1.761 20 0 BDADMP NCC[N@H+](CCCCC[NH3+])Cc1ccccc1 ZINC001236520856 979615664 /nfs/dbraw/zinc/61/56/64/979615664.db2.gz BOKSHBKNHOCGRC-UHFFFAOYSA-N 2 1 235.375 1.576 20 0 BDADMP NCC[N@@H+](CCCCC[NH3+])Cc1ccccc1 ZINC001236520856 979615667 /nfs/dbraw/zinc/61/56/67/979615667.db2.gz BOKSHBKNHOCGRC-UHFFFAOYSA-N 2 1 235.375 1.576 20 0 BDADMP CC[C@H](N)C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551795 979633592 /nfs/dbraw/zinc/63/35/92/979633592.db2.gz NVJLFSMXXARSBH-IHRRRGAJSA-N 2 1 239.407 1.706 20 0 BDADMP Cc1c[nH+]ccc1O[C@H]1CCN(C[C@H](C)[NH3+])C1 ZINC001236666096 979689515 /nfs/dbraw/zinc/68/95/15/979689515.db2.gz XXBPMTZGUJHYEW-RYUDHWBXSA-N 2 1 235.331 1.190 20 0 BDADMP Cc1cnc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206549657 979703267 /nfs/dbraw/zinc/70/32/67/979703267.db2.gz PPOXOTJTEULLSB-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1cnc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206549657 979703278 /nfs/dbraw/zinc/70/32/78/979703278.db2.gz PPOXOTJTEULLSB-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cnccn2)CC1 ZINC001205263845 979812861 /nfs/dbraw/zinc/81/28/61/979812861.db2.gz CORTZAKFRSWKDI-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cnccn2)CC1 ZINC001205263845 979812865 /nfs/dbraw/zinc/81/28/65/979812865.db2.gz CORTZAKFRSWKDI-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)cn2)CC1 ZINC001205264024 979812948 /nfs/dbraw/zinc/81/29/48/979812948.db2.gz GVUNGYZSFFWNBI-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC001205264024 979812953 /nfs/dbraw/zinc/81/29/53/979812953.db2.gz GVUNGYZSFFWNBI-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237173238 979828606 /nfs/dbraw/zinc/82/86/06/979828606.db2.gz OFHBRPFMYVBFLF-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237173238 979828608 /nfs/dbraw/zinc/82/86/08/979828608.db2.gz OFHBRPFMYVBFLF-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237416953 979888217 /nfs/dbraw/zinc/88/82/17/979888217.db2.gz RJWOYTIYHGCXOV-HIFRSBDPSA-N 2 1 245.370 1.843 20 0 BDADMP Cc1coc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC001237645681 979997557 /nfs/dbraw/zinc/99/75/57/979997557.db2.gz PZAMPBMELFVVMT-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP Cc1coc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC001237645681 979997559 /nfs/dbraw/zinc/99/75/59/979997559.db2.gz PZAMPBMELFVVMT-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP Cc1ncncc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001238167968 980201610 /nfs/dbraw/zinc/20/16/10/980201610.db2.gz FMCRJDUWQRYFPN-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1c[nH]nc1C ZINC001345483058 980618193 /nfs/dbraw/zinc/61/81/93/980618193.db2.gz QDAMQARDSBMACT-IUCAKERBSA-N 2 1 210.325 1.367 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNc1ccnc(N)n1 ZINC001346702054 980887900 /nfs/dbraw/zinc/88/79/00/980887900.db2.gz IOKJRDOJHMMJSP-JTQLQIEISA-N 2 1 235.335 1.345 20 0 BDADMP CC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]c(N)n1 ZINC001346702054 980887903 /nfs/dbraw/zinc/88/79/03/980887903.db2.gz IOKJRDOJHMMJSP-JTQLQIEISA-N 2 1 235.335 1.345 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNc1cc[nH+]c(N)n1 ZINC001346702054 980887905 /nfs/dbraw/zinc/88/79/05/980887905.db2.gz IOKJRDOJHMMJSP-JTQLQIEISA-N 2 1 235.335 1.345 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)n1 ZINC001205546055 980954597 /nfs/dbraw/zinc/95/45/97/980954597.db2.gz PTSABSFZDVQVDL-GFCCVEGCSA-N 2 1 240.326 1.073 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2nccn2C)CC[C@H]1C[NH3+] ZINC001205600441 981155479 /nfs/dbraw/zinc/15/54/79/981155479.db2.gz BSOWVDRUGCBFMA-RYUDHWBXSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccccn2)CC[C@H]1C[NH3+] ZINC001205601758 981158971 /nfs/dbraw/zinc/15/89/71/981158971.db2.gz GEBQJEKLJJOSOJ-OLZOCXBDSA-N 2 1 233.359 1.888 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)COC1 ZINC001205601321 981159897 /nfs/dbraw/zinc/15/98/97/981159897.db2.gz DKIXKXKCEVDXQU-OLZOCXBDSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnoc2)CC[C@H]1C[NH3+] ZINC001205601661 981162442 /nfs/dbraw/zinc/16/24/42/981162442.db2.gz FTJHRIKTYKAFTL-PWSUYJOCSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602415 981163873 /nfs/dbraw/zinc/16/38/73/981163873.db2.gz IWQZNPYRBHTPAE-XQHKEYJVSA-N 2 1 210.365 1.949 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC001205602749 981167122 /nfs/dbraw/zinc/16/71/22/981167122.db2.gz MAWCNLWGTBZDQY-VXGBXAGGSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC001205603009 981170151 /nfs/dbraw/zinc/17/01/51/981170151.db2.gz MQXAESKZCAYQIW-NWDGAFQWSA-N 2 1 236.363 1.227 20 0 BDADMP CC[C@H](N)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205604861 981181361 /nfs/dbraw/zinc/18/13/61/981181361.db2.gz YHLOYQBVWGRLNF-WOPDTQHZSA-N 2 1 213.369 1.031 20 0 BDADMP CC[C@H]([NH3+])CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205604861 981181366 /nfs/dbraw/zinc/18/13/66/981181366.db2.gz YHLOYQBVWGRLNF-WOPDTQHZSA-N 2 1 213.369 1.031 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnc2)CC[C@@H]1C[NH3+] ZINC001205604822 981182513 /nfs/dbraw/zinc/18/25/13/981182513.db2.gz XVNUKWPSMGXEBD-GXTWGEPZSA-N 2 1 233.359 1.888 20 0 BDADMP CCCC[N@H+](C)CCNc1cc[nH+]c(N)n1 ZINC001347990835 981234831 /nfs/dbraw/zinc/23/48/31/981234831.db2.gz UUOAOTRHZAEICP-UHFFFAOYSA-N 2 1 223.324 1.203 20 0 BDADMP CCCC[N@@H+](C)CCNc1cc[nH+]c(N)n1 ZINC001347990835 981234837 /nfs/dbraw/zinc/23/48/37/981234837.db2.gz UUOAOTRHZAEICP-UHFFFAOYSA-N 2 1 223.324 1.203 20 0 BDADMP CC(C)C[N@@H+]1CC[C@@H](CNc2cc(N)[nH+]cn2)C1 ZINC001348031287 981253199 /nfs/dbraw/zinc/25/31/99/981253199.db2.gz KLYQCVWUIOPZOH-NSHDSACASA-N 2 1 249.362 1.449 20 0 BDADMP CC(C)C[N@H+]1CC[C@@H](CNc2cc(N)[nH+]cn2)C1 ZINC001348031287 981253208 /nfs/dbraw/zinc/25/32/08/981253208.db2.gz KLYQCVWUIOPZOH-NSHDSACASA-N 2 1 249.362 1.449 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnn2)CC[C@@H]1C[NH3+] ZINC001205626551 981272467 /nfs/dbraw/zinc/27/24/67/981272467.db2.gz HBXWLCWHWXEKPY-VXGBXAGGSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c(N)n1 ZINC001348173306 981304179 /nfs/dbraw/zinc/30/41/79/981304179.db2.gz UWECBGKTTPNQNV-GHMZBOCLSA-N 2 1 247.346 1.122 20 0 BDADMP COc1cc(C)[nH+]cc1C1=CC[NH2+]CC1 ZINC001240466932 981400698 /nfs/dbraw/zinc/40/06/98/981400698.db2.gz LIHCZXYVZYYBHZ-UHFFFAOYSA-N 2 1 204.273 1.775 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cccnc1 ZINC001348853224 981459596 /nfs/dbraw/zinc/45/95/96/981459596.db2.gz SNBYDXPTRMPBCV-MNOVXSKESA-N 2 1 207.321 1.730 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001193987289 981526158 /nfs/dbraw/zinc/52/61/58/981526158.db2.gz BWZNINJJOPJJJX-NWDGAFQWSA-N 2 1 236.363 1.966 20 0 BDADMP Cc1[nH+]ccn1-c1cc(C2=CCC[NH2+]C2)ncn1 ZINC001240651816 981560434 /nfs/dbraw/zinc/56/04/34/981560434.db2.gz PTJQTEWFTKDWLN-UHFFFAOYSA-N 2 1 241.298 1.347 20 0 BDADMP c1cnc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cn1 ZINC001580896429 981722019 /nfs/dbraw/zinc/72/20/19/981722019.db2.gz BHEJDHXESMJBFD-STQMWFEESA-N 2 1 246.358 1.266 20 0 BDADMP c1cnc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC001580896847 981725725 /nfs/dbraw/zinc/72/57/25/981725725.db2.gz VKISHDWZCUHPHP-ZDUSSCGKSA-N 2 1 246.358 1.266 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205763899 982414301 /nfs/dbraw/zinc/41/43/01/982414301.db2.gz SPMJKCQAFATPLA-LLVKDONJSA-N 3 1 249.349 1.421 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCOC1 ZINC001199256977 982907288 /nfs/dbraw/zinc/90/72/88/982907288.db2.gz DZMAEKNDMDOKGW-LLVKDONJSA-N 2 1 235.331 1.274 20 0 BDADMP C[NH2+][C@H](C)CCNCc1cccc2c1CC[NH2+]C2 ZINC001353943190 983093415 /nfs/dbraw/zinc/09/34/15/983093415.db2.gz MKLVQBSRAJOOQV-GFCCVEGCSA-N 2 1 247.386 1.420 20 0 BDADMP Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc[nH+]1 ZINC001354129433 983168124 /nfs/dbraw/zinc/16/81/24/983168124.db2.gz GQSMWNVHINMYSS-YGRLFVJLSA-N 2 1 231.343 1.707 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001205916197 983187813 /nfs/dbraw/zinc/18/78/13/983187813.db2.gz SRAYNWBVCYMSAX-SWLSCSKDSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cccc(C[NH3+])c1 ZINC001205916197 983187820 /nfs/dbraw/zinc/18/78/20/983187820.db2.gz SRAYNWBVCYMSAX-SWLSCSKDSA-N 2 1 247.386 1.705 20 0 BDADMP Cc1cc(N)[nH+]cc1-c1ccc(C[NH3+])nc1 ZINC001242085546 983335899 /nfs/dbraw/zinc/33/58/99/983335899.db2.gz WQKHDAMKIHOGBG-UHFFFAOYSA-N 2 1 214.272 1.493 20 0 BDADMP CSC[C@@H](O)C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001356622616 983648532 /nfs/dbraw/zinc/64/85/32/983648532.db2.gz URNRCYWZZISBDD-LBPRGKRZSA-N 2 1 248.436 1.278 20 0 BDADMP CCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001252108195 983666256 /nfs/dbraw/zinc/66/62/56/983666256.db2.gz MPPXNWIMUIFBFT-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576271069 984166107 /nfs/dbraw/zinc/16/61/07/984166107.db2.gz BWHSOZKDHUMHIP-FVCCEPFGSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc[nH]n2)CCC[C@@H]1C[NH3+] ZINC001205981838 984187299 /nfs/dbraw/zinc/18/72/99/984187299.db2.gz HSENSZPMEIQUOW-WDEREUQCSA-N 2 1 222.336 1.217 20 0 BDADMP CCC[N@@H+](CCC1C[NH2+]C1)[C@@H](C)C(=O)OCC ZINC001577519245 984199357 /nfs/dbraw/zinc/19/93/57/984199357.db2.gz IVWBWCWUTCXDLD-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC001578241716 984210922 /nfs/dbraw/zinc/21/09/22/984210922.db2.gz IYMWKGFVXVNORD-BBBLOLIVSA-N 2 1 200.351 1.222 20 0 BDADMP CCCC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001275118235 984491622 /nfs/dbraw/zinc/49/16/22/984491622.db2.gz TYVASQRAJZEXRS-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC001580423081 984534583 /nfs/dbraw/zinc/53/45/83/984534583.db2.gz OOOSAMLJQAJHFN-KLPPZKSPSA-N 2 1 217.316 1.150 20 0 BDADMP CC[NH2+]CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001577845767 984809024 /nfs/dbraw/zinc/80/90/24/984809024.db2.gz BQLIOUKMWYPNAP-UHFFFAOYSA-N 2 1 245.729 1.963 20 0 BDADMP CCOC1CC([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001578087953 984846184 /nfs/dbraw/zinc/84/61/84/984846184.db2.gz WTWIEHXZTHXPEZ-FEPKRQSRSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cncs1 ZINC000885989287 984859926 /nfs/dbraw/zinc/85/99/26/984859926.db2.gz ADTTZSPSOHXFPL-MRVPVSSYSA-N 2 1 211.334 1.546 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC001578241794 984894284 /nfs/dbraw/zinc/89/42/84/984894284.db2.gz MBBWNUREPLQTEC-HUEPFSFMSA-N 2 1 238.375 1.674 20 0 BDADMP CCc1ccc2c(c1)CC[N@H+](C[C@](C)(O)C[NH3+])C2 ZINC001578263736 984915711 /nfs/dbraw/zinc/91/57/11/984915711.db2.gz VBBNGJPCVGWUOT-OAHLLOKOSA-N 2 1 248.370 1.317 20 0 BDADMP CCc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1O ZINC001578277189 984921976 /nfs/dbraw/zinc/92/19/76/984921976.db2.gz PBSPVBKBVKGMIQ-UONOGXRCSA-N 2 1 234.343 1.061 20 0 BDADMP CCn1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC001578353644 984988859 /nfs/dbraw/zinc/98/88/59/984988859.db2.gz NWRKSAPRNBTRLP-LLVKDONJSA-N 2 1 222.336 1.074 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000685995345 985030381 /nfs/dbraw/zinc/03/03/81/985030381.db2.gz VZSIVTSAMSEEKP-QWRGUYRKSA-N 2 1 248.317 1.030 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000685995345 985030397 /nfs/dbraw/zinc/03/03/97/985030397.db2.gz VZSIVTSAMSEEKP-QWRGUYRKSA-N 2 1 248.317 1.030 20 0 BDADMP CN(C)c1cccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC001578427266 985058919 /nfs/dbraw/zinc/05/89/19/985058919.db2.gz OIFYHOXATBADER-CQSZACIVSA-N 2 1 248.374 1.318 20 0 BDADMP CN(C)c1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC001578427266 985058928 /nfs/dbraw/zinc/05/89/28/985058928.db2.gz OIFYHOXATBADER-CQSZACIVSA-N 2 1 248.374 1.318 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@]1(O)CCC[NH2+]C1 ZINC001578448145 985082865 /nfs/dbraw/zinc/08/28/65/985082865.db2.gz LHKIYMSHLXBTJH-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP C[N@@H+](CCCn1ccnc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578468965 985098234 /nfs/dbraw/zinc/09/82/34/985098234.db2.gz UUQFHKVACIBTCL-QWHCGFSZSA-N 2 1 236.363 1.332 20 0 BDADMP C[N@@H+](Cc1ccccc1)C1CN(CC2C[NH2+]C2)C1 ZINC001578494473 985122824 /nfs/dbraw/zinc/12/28/24/985122824.db2.gz ZHQDNGKYOXLPFK-UHFFFAOYSA-N 2 1 245.370 1.022 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](NCC3(C[NH3+])CCC3)[C@@H]2C1 ZINC001578521566 985141373 /nfs/dbraw/zinc/14/13/73/985141373.db2.gz XCMIMKYHJFBELL-YNEHKIRRSA-N 2 1 237.391 1.045 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3(C[NH3+])CCC3)[C@@H]2C1 ZINC001578521566 985141380 /nfs/dbraw/zinc/14/13/80/985141380.db2.gz XCMIMKYHJFBELL-YNEHKIRRSA-N 3 1 237.391 1.045 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3(C[NH3+])CCC3)[C@@H]2C1 ZINC001578521566 985141387 /nfs/dbraw/zinc/14/13/87/985141387.db2.gz XCMIMKYHJFBELL-YNEHKIRRSA-N 3 1 237.391 1.045 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(CC[NH3+])C3)[C@H]2C1 ZINC001578520898 985142206 /nfs/dbraw/zinc/14/22/06/985142206.db2.gz IUETXAKSZHUIJN-YCKYNJIMSA-N 3 1 237.391 1.044 20 0 BDADMP C[N@H+]1CCC[C@@H]1CNC[C@H]([NH3+])CCC(C)(C)C ZINC001578530211 985155244 /nfs/dbraw/zinc/15/52/44/985155244.db2.gz BYYRSXQVFYJPDR-CHWSQXEVSA-N 2 1 241.423 1.824 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001578528479 985157749 /nfs/dbraw/zinc/15/77/49/985157749.db2.gz IAIMJAXSTFTVFH-AWEZNQCLSA-N 2 1 231.343 1.796 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578528642 985158261 /nfs/dbraw/zinc/15/82/61/985158261.db2.gz IYLVNWJXJSLCAD-RJZJGCCBSA-N 3 1 237.391 1.188 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@]2(C)CCCCO2)C1 ZINC001578657300 985269420 /nfs/dbraw/zinc/26/94/20/985269420.db2.gz UVANSRMGNNFYOJ-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CO[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000687214323 985271872 /nfs/dbraw/zinc/27/18/72/985271872.db2.gz IXAJRMMHBFTJBG-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]CC[C@H]1CCCC[N@H+]1C[C@H](O)CSC ZINC001578677183 985291194 /nfs/dbraw/zinc/29/11/94/985291194.db2.gz YNGPPRDAFJNLIQ-NEPJUHHUSA-N 2 1 246.420 1.174 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@]12CCOC2 ZINC001578687065 985294631 /nfs/dbraw/zinc/29/46/31/985294631.db2.gz JILWKVWTLHSJGJ-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001578687242 985297989 /nfs/dbraw/zinc/29/79/89/985297989.db2.gz SIJDXNQYEKKYFI-DTWKUNHWSA-N 2 1 204.264 1.183 20 0 BDADMP COC(=O)[C@H](CC1CC1)[NH2+]C1CC(CC[NH3+])C1 ZINC001578767992 985329769 /nfs/dbraw/zinc/32/97/69/985329769.db2.gz IDACXBSNHLASHP-MCIGGMRASA-N 2 1 240.347 1.045 20 0 BDADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC001578798720 985368337 /nfs/dbraw/zinc/36/83/37/985368337.db2.gz ZDUZZRCRRZSYRT-UWVGGRQHSA-N 2 1 230.352 1.291 20 0 BDADMP COC(=O)C[N@@H+](CC(C)C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578812318 985383550 /nfs/dbraw/zinc/38/35/50/985383550.db2.gz PBUAIWHHSAKPBN-NWDGAFQWSA-N 2 1 242.363 1.245 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000687796681 985387361 /nfs/dbraw/zinc/38/73/61/985387361.db2.gz KCWFDBRLWWFXMX-CYBMUJFWSA-N 2 1 228.380 1.423 20 0 BDADMP CO[C@H](C[NH2+][C@H](C[NH3+])C1CC1)CC(C)C ZINC001578913077 985519055 /nfs/dbraw/zinc/51/90/55/985519055.db2.gz RAOKRSLZZGLNER-NWDGAFQWSA-N 2 1 214.353 1.374 20 0 BDADMP COC1(C[NH+]2CC3(C2)CCC[NH2+]C3)CCC1 ZINC001578926645 985528881 /nfs/dbraw/zinc/52/88/81/985528881.db2.gz KDPQLWZMGZPFBE-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP COC[C@@H](C)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC001578957391 985580659 /nfs/dbraw/zinc/58/06/59/985580659.db2.gz OFBUOCWXYIJMAY-WDEREUQCSA-N 2 1 202.342 1.232 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1F ZINC001579004548 985667724 /nfs/dbraw/zinc/66/77/24/985667724.db2.gz USFMAYNFOILDTE-HBNTYKKESA-N 2 1 218.316 1.221 20 0 BDADMP CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)[C@H]1C ZINC001459981823 985683374 /nfs/dbraw/zinc/68/33/74/985683374.db2.gz BXZNLXAIQTWQMF-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@H]1C ZINC001459981823 985683385 /nfs/dbraw/zinc/68/33/85/985683385.db2.gz BXZNLXAIQTWQMF-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H]1C ZINC001459981823 985683388 /nfs/dbraw/zinc/68/33/88/985683388.db2.gz BXZNLXAIQTWQMF-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H]1C ZINC001459981823 985683393 /nfs/dbraw/zinc/68/33/93/985683393.db2.gz BXZNLXAIQTWQMF-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCc1nccs1 ZINC000688698637 985707831 /nfs/dbraw/zinc/70/78/31/985707831.db2.gz LQQSMEWEASOJES-MNOVXSKESA-N 2 1 239.388 1.473 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000689031139 985791409 /nfs/dbraw/zinc/79/14/09/985791409.db2.gz XUYZEQSPWXVPQF-UWVGGRQHSA-N 2 1 234.290 1.081 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C(C)(C)[NH3+])no1 ZINC001579129319 985806263 /nfs/dbraw/zinc/80/62/63/985806263.db2.gz CCDMOQSFJJAQQA-PWSUYJOCSA-N 2 1 239.319 1.135 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@H](C[NH3+])C(C)C)C1 ZINC001579133776 985810453 /nfs/dbraw/zinc/81/04/53/985810453.db2.gz XVWMIHUAQOTHQK-SDDRHHMPSA-N 2 1 214.353 1.327 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC001579217819 985819442 /nfs/dbraw/zinc/81/94/42/985819442.db2.gz AAVHNZSFAKERHR-WDNDVIMCSA-N 2 1 232.327 1.311 20 0 BDADMP CS[C@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC001579366683 985862416 /nfs/dbraw/zinc/86/24/16/985862416.db2.gz AJDIKKQTPMJJHT-KYXWUPHJSA-N 2 1 200.351 1.078 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001579384976 985868149 /nfs/dbraw/zinc/86/81/49/985868149.db2.gz RZCWQKPXRQHGTI-NAKRPEOUSA-N 2 1 214.378 1.611 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001579384974 985870202 /nfs/dbraw/zinc/87/02/02/985870202.db2.gz RZCWQKPXRQHGTI-GWOFURMSSA-N 2 1 214.378 1.611 20 0 BDADMP CCOC(=O)CC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606368 985899424 /nfs/dbraw/zinc/89/94/24/985899424.db2.gz MATZPDFJDWHZKJ-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccncc2F)C[C@H]1C[NH3+] ZINC001579441768 985932177 /nfs/dbraw/zinc/93/21/77/985932177.db2.gz RNMRWSYUNKLHMB-MWLCHTKSSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2F)C[C@H]1C[NH3+] ZINC001579441768 985932192 /nfs/dbraw/zinc/93/21/92/985932192.db2.gz RNMRWSYUNKLHMB-MWLCHTKSSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001579454437 985940104 /nfs/dbraw/zinc/94/01/04/985940104.db2.gz CFFKJCJWCRWDRR-UPJWGTAASA-N 2 1 246.358 1.121 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC001579454517 985943106 /nfs/dbraw/zinc/94/31/06/985943106.db2.gz ILHRYYWRBLYBGI-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(Cl)n1C ZINC001579460941 985943212 /nfs/dbraw/zinc/94/32/12/985943212.db2.gz ULRKWQIMSAIUQP-BDAKNGLRSA-N 2 1 242.754 1.019 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001579454729 985951434 /nfs/dbraw/zinc/95/14/34/985951434.db2.gz YNIHFIVCFKDTDJ-RFGFWPKPSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001579454723 985951517 /nfs/dbraw/zinc/95/15/17/985951517.db2.gz XXSNCHCGNXSUJC-SYQHCUMBSA-N 2 1 238.375 1.200 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC001579454711 985951714 /nfs/dbraw/zinc/95/17/14/985951714.db2.gz XMGIJTUYPUXTQP-MQYQWHSLSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001579476830 985989298 /nfs/dbraw/zinc/98/92/98/985989298.db2.gz IVUGQOMSDVSMCM-OUAUKWLOSA-N 2 1 228.380 1.905 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC001461224015 986029122 /nfs/dbraw/zinc/02/91/22/986029122.db2.gz SFAGQCVQAOOIAY-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ncccn3)C[C@H]2CC1 ZINC001276334851 986029766 /nfs/dbraw/zinc/02/97/66/986029766.db2.gz SXOFSEUPZCKNCK-BETUJISGSA-N 2 1 246.358 1.250 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]2CC1 ZINC001276334851 986029782 /nfs/dbraw/zinc/02/97/82/986029782.db2.gz SXOFSEUPZCKNCK-BETUJISGSA-N 2 1 246.358 1.250 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]2CC1 ZINC001276334851 986029796 /nfs/dbraw/zinc/02/97/96/986029796.db2.gz SXOFSEUPZCKNCK-BETUJISGSA-N 2 1 246.358 1.250 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001579505244 986045744 /nfs/dbraw/zinc/04/57/44/986045744.db2.gz RJYJAVRJNWTNQH-WOPDTQHZSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC001579505222 986047110 /nfs/dbraw/zinc/04/71/10/986047110.db2.gz QFXNESRCMBVSPO-ZYGVAYEYSA-N 2 1 212.337 1.020 20 0 BDADMP C[Si](C)(C[NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC001579511965 986059820 /nfs/dbraw/zinc/05/98/20/986059820.db2.gz GDMGHPRNCBCOHG-AWEZNQCLSA-N 2 1 248.446 1.468 20 0 BDADMP Cc1c(Cl)cccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC001579535354 986071561 /nfs/dbraw/zinc/07/15/61/986071561.db2.gz MBUUPNLXFHZJCP-NSHDSACASA-N 2 1 242.750 1.400 20 0 BDADMP Cc1c(Cl)cccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC001579535354 986071574 /nfs/dbraw/zinc/07/15/74/986071574.db2.gz MBUUPNLXFHZJCP-NSHDSACASA-N 2 1 242.750 1.400 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC001579543864 986075165 /nfs/dbraw/zinc/07/51/65/986075165.db2.gz MDWHOWRAEGZWCD-AAEUAGOBSA-N 2 1 249.358 1.716 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(C)n1 ZINC001579598407 986112776 /nfs/dbraw/zinc/11/27/76/986112776.db2.gz UHNMUXWRVPZODH-QMTHXVAHSA-N 2 1 233.359 1.725 20 0 BDADMP Cc1ccc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001579673167 986171407 /nfs/dbraw/zinc/17/14/07/986171407.db2.gz XBZBDSJETTYJNG-KBPBESRZSA-N 2 1 234.343 1.116 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001461829121 986199350 /nfs/dbraw/zinc/19/93/50/986199350.db2.gz KTWUGHDCQMHURJ-JHJVBQTASA-N 2 1 240.391 1.589 20 0 BDADMP Cc1cccc(C)c1C[N@H+](C)C[C@@]1(O)CC[NH2+]C1 ZINC001579754652 986209321 /nfs/dbraw/zinc/20/93/21/986209321.db2.gz KHTOWLHGPFAFIN-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1[nH+]cc(CN[C@]23CCC[C@H]2[NH2+]CC3)n1C ZINC001579878547 986297804 /nfs/dbraw/zinc/29/78/04/986297804.db2.gz RNEBLHPGQNSXKE-OLZOCXBDSA-N 2 1 234.347 1.103 20 0 BDADMP Cc1nnc2n1CC[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H]2C ZINC001579914099 986332054 /nfs/dbraw/zinc/33/20/54/986332054.db2.gz HGUJEXRFQSLCNS-ZMLRMANQSA-N 2 1 249.362 1.091 20 0 BDADMP Cc1nnc2n1CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H]2C ZINC001579914099 986332064 /nfs/dbraw/zinc/33/20/64/986332064.db2.gz HGUJEXRFQSLCNS-ZMLRMANQSA-N 2 1 249.362 1.091 20 0 BDADMP OCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000710016904 986358950 /nfs/dbraw/zinc/35/89/50/986358950.db2.gz RYXPOKAHJMEMNM-ZDUSSCGKSA-N 2 1 226.364 1.225 20 0 BDADMP Cn1nccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC001580013060 986412792 /nfs/dbraw/zinc/41/27/92/986412792.db2.gz KLNPSUCCXZFVCZ-OCCSQVGLSA-N 2 1 248.374 1.037 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(N)n2)C1 ZINC001206566245 986424114 /nfs/dbraw/zinc/42/41/14/986424114.db2.gz ZARMVJYYFJQFEK-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001462662592 986489678 /nfs/dbraw/zinc/48/96/78/986489678.db2.gz CXPNCRDIXHMUSA-OBPIAQAESA-N 2 1 226.364 1.340 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C[C@H]1O ZINC001254517062 986648914 /nfs/dbraw/zinc/64/89/14/986648914.db2.gz RTDCHAXKPOOWOS-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@H]1O ZINC001254517062 986648922 /nfs/dbraw/zinc/64/89/22/986648922.db2.gz RTDCHAXKPOOWOS-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@H]1O ZINC001254517062 986648930 /nfs/dbraw/zinc/64/89/30/986648930.db2.gz RTDCHAXKPOOWOS-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@@H]1O ZINC001254515911 986650039 /nfs/dbraw/zinc/65/00/39/986650039.db2.gz GKLQYANRTFLHIT-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC[C@@H]1O ZINC001254515911 986650056 /nfs/dbraw/zinc/65/00/56/986650056.db2.gz GKLQYANRTFLHIT-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC[C@@H]1O ZINC001254515911 986650062 /nfs/dbraw/zinc/65/00/62/986650062.db2.gz GKLQYANRTFLHIT-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1CC1 ZINC001580229913 986678204 /nfs/dbraw/zinc/67/82/04/986678204.db2.gz WQMORIMBQBEPCT-LSDHHAIUSA-N 2 1 248.370 1.307 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)C1CCCC1 ZINC001580230071 986678412 /nfs/dbraw/zinc/67/84/12/986678412.db2.gz YOMTUXNTXUVKEB-LBPRGKRZSA-N 2 1 235.331 1.394 20 0 BDADMP [NH3+]CC1(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)CCC1 ZINC001580244450 986693832 /nfs/dbraw/zinc/69/38/32/986693832.db2.gz XRKWUBBNIZUDCK-GXTWGEPZSA-N 2 1 238.375 1.210 20 0 BDADMP [NH3+]CC12CCC(CC1)[N@H+]2C[C@H]1C[C@]12CCOC2 ZINC001580248099 986703168 /nfs/dbraw/zinc/70/31/68/986703168.db2.gz GVHMHSFQKNJTRA-ZIHBUVQPSA-N 2 1 236.359 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC1=CCCC1 ZINC001580253038 986705483 /nfs/dbraw/zinc/70/54/83/986705483.db2.gz GCPOKINQCHOFLV-QWHCGFSZSA-N 2 1 206.333 1.910 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC1=CCCC1 ZINC001580253038 986705486 /nfs/dbraw/zinc/70/54/86/986705486.db2.gz GCPOKINQCHOFLV-QWHCGFSZSA-N 2 1 206.333 1.910 20 0 BDADMP [NH3+]C[C@@]12C[N@H+](Cc3c[nH]cn3)C[C@H]1CCCC2 ZINC001580256903 986710599 /nfs/dbraw/zinc/71/05/99/986710599.db2.gz ZOXQHRWNIHMLCE-YPMHNXCESA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@@]12C[N@@H+](Cc3c[nH]cn3)C[C@H]1CCCC2 ZINC001580256903 986710608 /nfs/dbraw/zinc/71/06/08/986710608.db2.gz ZOXQHRWNIHMLCE-YPMHNXCESA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]CC[C@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC001580284665 986734603 /nfs/dbraw/zinc/73/46/03/986734603.db2.gz NNQRGJMPYKBTPD-HNNXBMFYSA-N 2 1 248.370 1.403 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139467696 986754733 /nfs/dbraw/zinc/75/47/33/986754733.db2.gz MBSHMTHAMJKXAM-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139467696 986754750 /nfs/dbraw/zinc/75/47/50/986754750.db2.gz MBSHMTHAMJKXAM-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139467696 986754761 /nfs/dbraw/zinc/75/47/61/986754761.db2.gz MBSHMTHAMJKXAM-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP C[C@@H]1CC[C@@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[NH2+]1 ZINC000383901635 986831485 /nfs/dbraw/zinc/83/14/85/986831485.db2.gz NSIXZRCILUOBGP-MGPQQGTHSA-N 2 1 237.391 1.155 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC001580422647 986840055 /nfs/dbraw/zinc/84/00/55/986840055.db2.gz BGIZYDABBZQODI-DTORHVGOSA-N 2 1 232.287 1.249 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC001580431083 986851642 /nfs/dbraw/zinc/85/16/42/986851642.db2.gz BAGOXARSJYRVJY-KYZUINATSA-N 2 1 233.271 1.113 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@H]1CC[NH+](C)C1 ZINC001255412126 986935010 /nfs/dbraw/zinc/93/50/10/986935010.db2.gz PPDQJVFXKZLSDZ-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCCN[C@H]1CC[N@H+](C)C1 ZINC001255412126 986935021 /nfs/dbraw/zinc/93/50/21/986935021.db2.gz PPDQJVFXKZLSDZ-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCCN[C@H]1CC[N@@H+](C)C1 ZINC001255412126 986935029 /nfs/dbraw/zinc/93/50/29/986935029.db2.gz PPDQJVFXKZLSDZ-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001255547883 987002000 /nfs/dbraw/zinc/00/20/00/987002000.db2.gz XKRRGUUKHAWJHM-FRRDWIJNSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001255547883 987002012 /nfs/dbraw/zinc/00/20/12/987002012.db2.gz XKRRGUUKHAWJHM-FRRDWIJNSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001255547883 987002023 /nfs/dbraw/zinc/00/20/23/987002023.db2.gz XKRRGUUKHAWJHM-FRRDWIJNSA-N 2 1 238.375 1.437 20 0 BDADMP CCOC(=O)C[N@H+](CC)CC1CC[NH+](C)CC1 ZINC000691573606 987287471 /nfs/dbraw/zinc/28/74/71/987287471.db2.gz VFYCSCRJTUNHRV-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)C[N@@H+](CC)CC1CC[NH+](C)CC1 ZINC000691573606 987287479 /nfs/dbraw/zinc/28/74/79/987287479.db2.gz VFYCSCRJTUNHRV-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP C[C@](O)(C[N@H+]1CCC[C@H]([NH3+])CC1)c1ccccc1 ZINC001246015837 987295423 /nfs/dbraw/zinc/29/54/23/987295423.db2.gz HQAVRWIYQPOWHL-GJZGRUSLSA-N 2 1 248.370 1.707 20 0 BDADMP CCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246017507 987303704 /nfs/dbraw/zinc/30/37/04/987303704.db2.gz BBASKBZVFVIYEN-SRVKXCTJSA-N 2 1 214.353 1.207 20 0 BDADMP CCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246017507 987303710 /nfs/dbraw/zinc/30/37/10/987303710.db2.gz BBASKBZVFVIYEN-SRVKXCTJSA-N 2 1 214.353 1.207 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246023143 987311940 /nfs/dbraw/zinc/31/19/40/987311940.db2.gz OIDYTLLMWZNTBR-IJLUTSLNSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246023985 987320616 /nfs/dbraw/zinc/32/06/16/987320616.db2.gz TWGWLVHZEJEDIN-STQMWFEESA-N 2 1 228.380 1.454 20 0 BDADMP CC1(C)C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1[NH3+] ZINC000400730520 987324068 /nfs/dbraw/zinc/32/40/68/987324068.db2.gz YPPCHSXGANPJMO-MNOVXSKESA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1[NH3+] ZINC000400730520 987324074 /nfs/dbraw/zinc/32/40/74/987324074.db2.gz YPPCHSXGANPJMO-MNOVXSKESA-N 2 1 212.337 1.082 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246026588 987324208 /nfs/dbraw/zinc/32/42/08/987324208.db2.gz UVDDUQDLAQIXBL-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246026589 987327760 /nfs/dbraw/zinc/32/77/60/987327760.db2.gz UVDDUQDLAQIXBL-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028358 987327796 /nfs/dbraw/zinc/32/77/96/987327796.db2.gz BFWUWWBTXDDOIV-QWHCGFSZSA-N 2 1 228.380 1.598 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028119 987327864 /nfs/dbraw/zinc/32/78/64/987327864.db2.gz ABPYXJATMQMKSR-KGLIPLIRSA-N 2 1 242.407 1.988 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246031536 987333184 /nfs/dbraw/zinc/33/31/84/987333184.db2.gz QWSZTPBRLQGQTR-QWHCGFSZSA-N 2 1 226.364 1.365 20 0 BDADMP CCc1[nH+]ccn1C[C@@H]1CCCC[NH2+]C1 ZINC000696999257 987344056 /nfs/dbraw/zinc/34/40/56/987344056.db2.gz OCKYJQYJHUMDTB-LLVKDONJSA-N 2 1 207.321 1.835 20 0 BDADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000696789855 987344843 /nfs/dbraw/zinc/34/48/43/987344843.db2.gz RKQQAYCYMIBWAK-UONOGXRCSA-N 2 1 242.407 1.988 20 0 BDADMP CCCC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052526 987347112 /nfs/dbraw/zinc/34/71/12/987347112.db2.gz NRMAQJKBHBCEIC-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697034961 987347743 /nfs/dbraw/zinc/34/77/43/987347743.db2.gz QBRBQAWHPBABHV-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246059112 987348922 /nfs/dbraw/zinc/34/89/22/987348922.db2.gz ICXCHZKQUCHEMP-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP CCCC[C@@H](O)C[N@H+](C)C[C@@H]([NH3+])CC ZINC001246065239 987354230 /nfs/dbraw/zinc/35/42/30/987354230.db2.gz IDZCKZNJIWIPCB-WDEREUQCSA-N 2 1 202.342 1.207 20 0 BDADMP CCCC[C@@H](O)C[N@@H+](C)C[C@@H]([NH3+])CC ZINC001246065239 987354232 /nfs/dbraw/zinc/35/42/32/987354232.db2.gz IDZCKZNJIWIPCB-WDEREUQCSA-N 2 1 202.342 1.207 20 0 BDADMP Cc1cnccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697824046 987367679 /nfs/dbraw/zinc/36/76/79/987367679.db2.gz KFYUMRBYPFSPEZ-LBPRGKRZSA-N 2 1 221.348 1.820 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078403 987368958 /nfs/dbraw/zinc/36/89/58/987368958.db2.gz DHPZPTWWXUFJBM-AVGNSLFASA-N 2 1 228.380 1.920 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCCCCCC[NH3+])C[NH2+]1 ZINC001246082211 987374929 /nfs/dbraw/zinc/37/49/29/987374929.db2.gz VYLCVSSXPLJTRG-QWHCGFSZSA-N 3 1 227.396 1.626 20 0 BDADMP CO[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000699640816 987376777 /nfs/dbraw/zinc/37/67/77/987376777.db2.gz SCBSENOHXUMUPP-OLZOCXBDSA-N 2 1 237.347 1.739 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC001246082515 987377957 /nfs/dbraw/zinc/37/79/57/987377957.db2.gz WXHABNCAEZGPFB-LBPRGKRZSA-N 3 1 227.396 1.448 20 0 BDADMP Cc1cc(C)n(CC[NH2+][C@H]2CC[C@@H](C)NC2)n1 ZINC001246083708 987380866 /nfs/dbraw/zinc/38/08/66/987380866.db2.gz HZZWSRAZWANRTJ-MFKMUULPSA-N 2 1 236.363 1.230 20 0 BDADMP C[C@@]1(O)CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246085638 987385931 /nfs/dbraw/zinc/38/59/31/987385931.db2.gz AJPDORMTYCKAGM-IJLUTSLNSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086220 987387336 /nfs/dbraw/zinc/38/73/36/987387336.db2.gz SMZUSXCTDZIAEX-SCRDCRAPSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246089811 987393692 /nfs/dbraw/zinc/39/36/92/987393692.db2.gz DWWPRRODVKYHEJ-JHJVBQTASA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246092609 987396860 /nfs/dbraw/zinc/39/68/60/987396860.db2.gz FFYMOSYVCHENMI-HZSPNIEDSA-N 3 1 239.407 1.496 20 0 BDADMP CC1(C)C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)CO1 ZINC001246092048 987399382 /nfs/dbraw/zinc/39/93/82/987399382.db2.gz RTAGEONVPNBLBN-QWRGUYRKSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246099409 987415074 /nfs/dbraw/zinc/41/50/74/987415074.db2.gz LTOBFBVWHUMCAP-AVGNSLFASA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246102649 987427825 /nfs/dbraw/zinc/42/78/25/987427825.db2.gz WRYXERSMBMIMBC-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246102649 987427834 /nfs/dbraw/zinc/42/78/34/987427834.db2.gz WRYXERSMBMIMBC-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC001246127669 987476033 /nfs/dbraw/zinc/47/60/33/987476033.db2.gz MDEAEKUMOUPLFY-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246132758 987480966 /nfs/dbraw/zinc/48/09/66/987480966.db2.gz NPWGDBBOQXXEQB-NDKCEZKHSA-N 3 1 237.391 1.105 20 0 BDADMP CC1(C)CCC[C@@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)C1 ZINC001246133014 987488992 /nfs/dbraw/zinc/48/89/92/987488992.db2.gz HPLPEKMKFLPIJH-FDYHWXHSSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001116293388 987512953 /nfs/dbraw/zinc/51/29/53/987512953.db2.gz ARJFASLJNKKDMY-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001116293388 987512960 /nfs/dbraw/zinc/51/29/60/987512960.db2.gz ARJFASLJNKKDMY-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+](CC)CCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246162357 987514343 /nfs/dbraw/zinc/51/43/43/987514343.db2.gz PBYAIOSJCHAUFY-KGLIPLIRSA-N 3 1 241.423 1.839 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246155650 987514807 /nfs/dbraw/zinc/51/48/07/987514807.db2.gz WPMDDHIZQKQDTH-FIQHERPVSA-N 2 1 214.353 1.124 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C)C1 ZINC001246153871 987518547 /nfs/dbraw/zinc/51/85/47/987518547.db2.gz ULNXHZOQKPXXFR-TUAOUCFPSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])C[NH2+]1 ZINC001246165240 987522142 /nfs/dbraw/zinc/52/21/42/987522142.db2.gz QDHGUJCAMSOEOB-NWDGAFQWSA-N 3 1 213.369 1.236 20 0 BDADMP [NH3+]CCC[N@H+](C1CCCCC1)C1CC[NH2+]CC1 ZINC001246176984 987540366 /nfs/dbraw/zinc/54/03/66/987540366.db2.gz LYWQHAIJIMOUSB-UHFFFAOYSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]CCC[N@@H+](C1CCCCC1)C1CC[NH2+]CC1 ZINC001246176984 987540374 /nfs/dbraw/zinc/54/03/74/987540374.db2.gz LYWQHAIJIMOUSB-UHFFFAOYSA-N 3 1 239.407 1.722 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246183103 987553381 /nfs/dbraw/zinc/55/33/81/987553381.db2.gz DGCUZLBZRFDHPK-UONOGXRCSA-N 2 1 241.423 1.839 20 0 BDADMP COC(=O)C1(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCC1 ZINC001246184316 987557914 /nfs/dbraw/zinc/55/79/14/987557914.db2.gz ZSHXCACAZKXEIU-MNOVXSKESA-N 2 1 240.347 1.060 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186716 987565731 /nfs/dbraw/zinc/56/57/31/987565731.db2.gz GXNFPKQVVZLGOE-GRYCIOLGSA-N 2 1 240.347 1.060 20 0 BDADMP c1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)COC2)cc1 ZINC001246190679 987577549 /nfs/dbraw/zinc/57/75/49/987577549.db2.gz RKRYHXKRVUEXLC-CQSZACIVSA-N 2 1 246.354 1.296 20 0 BDADMP C1CC1([NH2+][C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001246194458 987587560 /nfs/dbraw/zinc/58/75/60/987587560.db2.gz HRARTCGGFYCONK-GFCCVEGCSA-N 2 1 224.348 1.287 20 0 BDADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246198556 987591448 /nfs/dbraw/zinc/59/14/48/987591448.db2.gz GCTGHZXCAVKAFP-AAEUAGOBSA-N 2 1 249.358 1.710 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246199302 987595163 /nfs/dbraw/zinc/59/51/63/987595163.db2.gz UNADWJIHOKRRKP-UTUOFQBUSA-N 3 1 225.380 1.105 20 0 BDADMP COC(=O)CCCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246199840 987595261 /nfs/dbraw/zinc/59/52/61/987595261.db2.gz LKUOWBQVGLUPBA-RYUDHWBXSA-N 2 1 242.363 1.450 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246220885 987619713 /nfs/dbraw/zinc/61/97/13/987619713.db2.gz GUPQGTSLGDGGEW-YHQUGGNUSA-N 3 1 237.391 1.247 20 0 BDADMP C([NH2+][C@@H]1CCCCNC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246221754 987619986 /nfs/dbraw/zinc/61/99/86/987619986.db2.gz JMKTYPBNBRDZHX-YIYPIFLZSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@H]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246222572 987620545 /nfs/dbraw/zinc/62/05/45/987620545.db2.gz IBQLZKHZFJXZLF-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CO)CC[NH2+]1 ZINC001246227569 987626419 /nfs/dbraw/zinc/62/64/19/987626419.db2.gz DNWQRQIBIQOPPB-RISCZKNCSA-N 2 1 234.343 1.409 20 0 BDADMP CCC1(NC2CCC3(CC[NH2+]C3)CC2)C[NH2+]C1 ZINC001246236215 987635160 /nfs/dbraw/zinc/63/51/60/987635160.db2.gz NTBYUVJQVRFUIT-UHFFFAOYSA-N 2 1 237.391 1.250 20 0 BDADMP C(C[C@H]1CCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246238967 987637706 /nfs/dbraw/zinc/63/77/06/987637706.db2.gz BNDPOKYWBYTPEP-HABKJSAYSA-N 3 1 237.391 1.391 20 0 BDADMP CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246270276 987655478 /nfs/dbraw/zinc/65/54/78/987655478.db2.gz FLOBLSRXJDPKQM-WOPDTQHZSA-N 2 1 226.364 1.864 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC001246258285 987655721 /nfs/dbraw/zinc/65/57/21/987655721.db2.gz WCRIZKNHRBMXJJ-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP OC12CCC([NH2+][C@H]3CCC[NH2+]C3)(CC1)CC2 ZINC001246264989 987659944 /nfs/dbraw/zinc/65/99/44/987659944.db2.gz MLCBOANPKVIVTL-HIFPTAJRSA-N 2 1 224.348 1.166 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246269933 987662883 /nfs/dbraw/zinc/66/28/83/987662883.db2.gz CISBGCJQVDALRH-RYUDHWBXSA-N 3 1 241.423 1.870 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[NH2+]1 ZINC001246268811 987663723 /nfs/dbraw/zinc/66/37/23/987663723.db2.gz ZVBGIFIOZXMCIC-NEPJUHHUSA-N 3 1 227.396 1.447 20 0 BDADMP CCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246299157 987693530 /nfs/dbraw/zinc/69/35/30/987693530.db2.gz JXILKYLJVWXTMM-SRVKXCTJSA-N 2 1 214.353 1.125 20 0 BDADMP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCCCCCC1 ZINC001246298715 987694686 /nfs/dbraw/zinc/69/46/86/987694686.db2.gz IGINNHOEAZMBGL-DGCLKSJQSA-N 2 1 226.364 1.269 20 0 BDADMP CC[C@H]([NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246310976 987713844 /nfs/dbraw/zinc/71/38/44/987713844.db2.gz BJDBRTZAECGEGB-ZDEQEGDKSA-N 2 1 225.380 1.329 20 0 BDADMP CC[C@H](N)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001246312132 987715643 /nfs/dbraw/zinc/71/56/43/987715643.db2.gz GCLHASVIBJDRNQ-STQMWFEESA-N 2 1 229.412 1.824 20 0 BDADMP COC1CC(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC001474504212 987741593 /nfs/dbraw/zinc/74/15/93/987741593.db2.gz DFDYTPOVMPCGTH-BLYZHGLHSA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC001474504212 987741596 /nfs/dbraw/zinc/74/15/96/987741596.db2.gz DFDYTPOVMPCGTH-BLYZHGLHSA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC001474504212 987741599 /nfs/dbraw/zinc/74/15/99/987741599.db2.gz DFDYTPOVMPCGTH-BLYZHGLHSA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC001474504212 987741602 /nfs/dbraw/zinc/74/16/02/987741602.db2.gz DFDYTPOVMPCGTH-BLYZHGLHSA-N 2 1 240.391 1.683 20 0 BDADMP CC(=O)NCCCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246337620 987744473 /nfs/dbraw/zinc/74/44/73/987744473.db2.gz WUSOIHVNMOCRND-DGCLKSJQSA-N 2 1 241.379 1.023 20 0 BDADMP COC1CCC(CC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246337484 987745936 /nfs/dbraw/zinc/74/59/36/987745936.db2.gz VKYVZPYKAGKTDL-ROKHWSDSSA-N 2 1 240.391 1.923 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246338312 987747526 /nfs/dbraw/zinc/74/75/26/987747526.db2.gz FRAXFFUSUULBCS-MJBXVCDLSA-N 2 1 237.391 1.474 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001246338312 987747535 /nfs/dbraw/zinc/74/75/35/987747535.db2.gz FRAXFFUSUULBCS-MJBXVCDLSA-N 2 1 237.391 1.474 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246355590 987763107 /nfs/dbraw/zinc/76/31/07/987763107.db2.gz KCZVEERMAINSRY-GYSYKLTISA-N 2 1 231.343 1.883 20 0 BDADMP CCOC(=O)CCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246356417 987763321 /nfs/dbraw/zinc/76/33/21/987763321.db2.gz HDWQLSYLKNPVBQ-NWDGAFQWSA-N 2 1 242.363 1.450 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246360265 987766451 /nfs/dbraw/zinc/76/64/51/987766451.db2.gz WQHNDBWZYRFFFG-RWMBFGLXSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@H]1CC[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]1 ZINC001246361162 987767655 /nfs/dbraw/zinc/76/76/55/987767655.db2.gz KBICCCLAOZNTQY-UBHSHLNASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1CC[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]1 ZINC001246361170 987768760 /nfs/dbraw/zinc/76/87/60/987768760.db2.gz KBICCCLAOZNTQY-YUTCNCBUSA-N 2 1 237.391 1.201 20 0 BDADMP C(C1CCC1)[N@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246358817 987769109 /nfs/dbraw/zinc/76/91/09/987769109.db2.gz BWQADQJZPYDSFW-AWEZNQCLSA-N 2 1 237.391 1.202 20 0 BDADMP COC(=O)CCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246357966 987769200 /nfs/dbraw/zinc/76/92/00/987769200.db2.gz WUEHGQVVAJSHJW-WDEREUQCSA-N 2 1 228.336 1.060 20 0 BDADMP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](C3CCC3)C2)CC[NH2+]1 ZINC001246359341 987769575 /nfs/dbraw/zinc/76/95/75/987769575.db2.gz AWXVCTOLXNIVDW-AVGNSLFASA-N 2 1 237.391 1.343 20 0 BDADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC001246365453 987773499 /nfs/dbraw/zinc/77/34/99/987773499.db2.gz XHYKJXJVESITTR-OLZOCXBDSA-N 2 1 239.407 1.591 20 0 BDADMP C(C1CC1)C1([NH2+]C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246379775 987776222 /nfs/dbraw/zinc/77/62/22/987776222.db2.gz CSDYAKVQONJWNY-UHFFFAOYSA-N 3 1 237.391 1.250 20 0 BDADMP FC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC001246379089 987776658 /nfs/dbraw/zinc/77/66/58/987776658.db2.gz KZVSILWEIFYEND-ZACCUICWSA-N 2 1 212.312 1.751 20 0 BDADMP C[C@H]1CC[C@@H](NCc2[nH+]cn3ccccc23)C[NH2+]1 ZINC001246393669 987779034 /nfs/dbraw/zinc/77/90/34/987779034.db2.gz HDCDWMUTOIKYHW-NWDGAFQWSA-N 2 1 244.342 1.564 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C(C)(C)C(C)(C)O)C[NH2+]1 ZINC001246392189 987779893 /nfs/dbraw/zinc/77/98/93/987779893.db2.gz VMDXZBASLFLPLK-VHSXEESVSA-N 2 1 214.353 1.266 20 0 BDADMP CC(C)[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246404346 987786942 /nfs/dbraw/zinc/78/69/42/987786942.db2.gz NJCFAIARRFOKRT-JOCQHMNTSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)[N@H+](C1CCNCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246404346 987786947 /nfs/dbraw/zinc/78/69/47/987786947.db2.gz NJCFAIARRFOKRT-JOCQHMNTSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)[N@@H+](C1CCNCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246404346 987786954 /nfs/dbraw/zinc/78/69/54/987786954.db2.gz NJCFAIARRFOKRT-JOCQHMNTSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]1CC[C@H](NC2C[NH+](C(C)(C)C)C2)C[NH2+]1 ZINC001246446227 987805964 /nfs/dbraw/zinc/80/59/64/987805964.db2.gz LCMVXJAPJJDFGI-QWRGUYRKSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)C[NH2+]1 ZINC001246460963 987819454 /nfs/dbraw/zinc/81/94/54/987819454.db2.gz LXBKFPFHSAKFKM-RVMXOQNASA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@]1([NH2+][C@H]2CCC[NH2+]C2)CC[C@@H](O)CC1 ZINC001246460514 987820560 /nfs/dbraw/zinc/82/05/60/987820560.db2.gz JKWMHQTWJBKDPQ-SRVKXCTJSA-N 2 1 212.337 1.022 20 0 BDADMP CCC1CCC([NH2+]C[C@H]2C[NH2+]CCN2)CC1 ZINC001246490384 987843242 /nfs/dbraw/zinc/84/32/42/987843242.db2.gz PZGICSWBENSTGD-WXRRBKDZSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(C[NH3+])cc2)CN1 ZINC001246487012 987844586 /nfs/dbraw/zinc/84/45/86/987844586.db2.gz YWPLLVZMVIUECX-SWLSCSKDSA-N 2 1 247.386 1.418 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001246487012 987844588 /nfs/dbraw/zinc/84/45/88/987844588.db2.gz YWPLLVZMVIUECX-SWLSCSKDSA-N 3 1 247.386 1.418 20 0 BDADMP CSC(C)(C)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246487532 987845534 /nfs/dbraw/zinc/84/55/34/987845534.db2.gz GQMMBMWZFJVORB-WDEREUQCSA-N 2 1 245.436 1.058 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246526127 987878175 /nfs/dbraw/zinc/87/81/75/987878175.db2.gz MEXMFPNYMREQLD-TUAOUCFPSA-N 2 1 240.347 1.012 20 0 BDADMP COC(=O)C1CCC([N@H+]2CCC[NH2+]CC2)CC1 ZINC001246526527 987879935 /nfs/dbraw/zinc/87/99/35/987879935.db2.gz YPOGVVIUQOAPNV-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246526125 987879999 /nfs/dbraw/zinc/87/99/99/987879999.db2.gz MEXMFPNYMREQLD-IJLUTSLNSA-N 2 1 240.347 1.012 20 0 BDADMP CCOCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538193 987898042 /nfs/dbraw/zinc/89/80/42/987898042.db2.gz ARYLYBBGJZSQAL-SDDRHHMPSA-N 2 1 214.353 1.328 20 0 BDADMP CCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246537869 987898878 /nfs/dbraw/zinc/89/88/78/987898878.db2.gz DRALCXUBEFUXIS-AGIUHOORSA-N 2 1 228.380 1.739 20 0 BDADMP CCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246537869 987898879 /nfs/dbraw/zinc/89/88/79/987898879.db2.gz DRALCXUBEFUXIS-AGIUHOORSA-N 2 1 228.380 1.739 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C[C@H](O)C2)CC(C)(C)C1 ZINC001246538106 987899507 /nfs/dbraw/zinc/89/95/07/987899507.db2.gz GLTNDKPBYKVZCB-NDBYEHHHSA-N 2 1 240.391 1.595 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C[C@H](O)C2)CC(C)(C)C1 ZINC001246538106 987899512 /nfs/dbraw/zinc/89/95/12/987899512.db2.gz GLTNDKPBYKVZCB-NDBYEHHHSA-N 2 1 240.391 1.595 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540109 987901331 /nfs/dbraw/zinc/90/13/31/987901331.db2.gz FOFMFTPCMRAPPR-NEPJUHHUSA-N 3 1 225.380 1.330 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540109 987901342 /nfs/dbraw/zinc/90/13/42/987901342.db2.gz FOFMFTPCMRAPPR-NEPJUHHUSA-N 3 1 225.380 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539968 987902955 /nfs/dbraw/zinc/90/29/55/987902955.db2.gz JEJPJSNORWVFOW-MQYQWHSLSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539968 987902962 /nfs/dbraw/zinc/90/29/62/987902962.db2.gz JEJPJSNORWVFOW-MQYQWHSLSA-N 3 1 237.391 1.473 20 0 BDADMP CCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539203 987904066 /nfs/dbraw/zinc/90/40/66/987904066.db2.gz CNRODPLDRFNTPW-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP CC(C)CC(CC(C)C)[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246540944 987904968 /nfs/dbraw/zinc/90/49/68/987904968.db2.gz NANXPWUSFNGGLJ-GXTWGEPZSA-N 2 1 242.407 1.841 20 0 BDADMP CC(C)CC(CC(C)C)[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246540944 987904971 /nfs/dbraw/zinc/90/49/71/987904971.db2.gz NANXPWUSFNGGLJ-GXTWGEPZSA-N 2 1 242.407 1.841 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246543073 987911549 /nfs/dbraw/zinc/91/15/49/987911549.db2.gz SHACYYPRQUSZIO-UTUOFQBUSA-N 2 1 240.347 1.141 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246541406 987912123 /nfs/dbraw/zinc/91/21/23/987912123.db2.gz HKSJGYJQWPFSAO-HBNTYKKESA-N 2 1 200.326 1.223 20 0 BDADMP CSCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544883 987918913 /nfs/dbraw/zinc/91/89/13/987918913.db2.gz HUOAGUZGCKBSCZ-QWRGUYRKSA-N 2 1 216.394 1.941 20 0 BDADMP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1=O ZINC001246545660 987921107 /nfs/dbraw/zinc/92/11/07/987921107.db2.gz WLZBTJQXGZCLRF-FKJOKYEKSA-N 2 1 236.359 1.570 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1=O ZINC001246545660 987921124 /nfs/dbraw/zinc/92/11/24/987921124.db2.gz WLZBTJQXGZCLRF-FKJOKYEKSA-N 2 1 236.359 1.570 20 0 BDADMP CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246547169 987927291 /nfs/dbraw/zinc/92/72/91/987927291.db2.gz BQGMDOVXGOWCOB-MCIONIFRSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@H](C)C2)CC[NH2+]1 ZINC001246551480 987941410 /nfs/dbraw/zinc/94/14/10/987941410.db2.gz MUZGLSWZSPBXGG-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1C[NH3+] ZINC001246550919 987946583 /nfs/dbraw/zinc/94/65/83/987946583.db2.gz KYAMTXCVUVNEKK-AGIUHOORSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1C[NH3+] ZINC001246550919 987946589 /nfs/dbraw/zinc/94/65/89/987946589.db2.gz KYAMTXCVUVNEKK-AGIUHOORSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246551032 987947935 /nfs/dbraw/zinc/94/79/35/987947935.db2.gz JYDQTPGYGOOANH-STQMWFEESA-N 3 1 225.380 1.332 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246551032 987947943 /nfs/dbraw/zinc/94/79/43/987947943.db2.gz JYDQTPGYGOOANH-STQMWFEESA-N 3 1 225.380 1.332 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001246554551 987956585 /nfs/dbraw/zinc/95/65/85/987956585.db2.gz BGUQEASIYFSETN-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001246554553 987963231 /nfs/dbraw/zinc/96/32/31/987963231.db2.gz BGUQEASIYFSETN-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246554909 987963256 /nfs/dbraw/zinc/96/32/56/987963256.db2.gz CZQPCHQYXUMOJB-AGIUHOORSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC([N@@H+]2CCC[C@](C)([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246556226 987964437 /nfs/dbraw/zinc/96/44/37/987964437.db2.gz YUCLTAQBKQAEHJ-BZPMIXESSA-N 3 1 239.407 1.719 20 0 BDADMP C[C@@H]1CC([N@H+]2CCC[C@](C)([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246556226 987964455 /nfs/dbraw/zinc/96/44/55/987964455.db2.gz YUCLTAQBKQAEHJ-BZPMIXESSA-N 3 1 239.407 1.719 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246556045 987966797 /nfs/dbraw/zinc/96/67/97/987966797.db2.gz YHAAQZJQOSPJCF-JHJVBQTASA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556873 987966565 /nfs/dbraw/zinc/96/65/65/987966565.db2.gz GTCGAGMFQQBNEV-DGCLKSJQSA-N 2 1 226.364 1.351 20 0 BDADMP CCCC[C@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557922 987974602 /nfs/dbraw/zinc/97/46/02/987974602.db2.gz JHGVFRPSZNQFEP-QWHCGFSZSA-N 2 1 228.380 1.741 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246557379 987975329 /nfs/dbraw/zinc/97/53/29/987975329.db2.gz LHVFVEVRDWOXFQ-OLZOCXBDSA-N 2 1 246.370 1.954 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246562089 987989743 /nfs/dbraw/zinc/98/97/43/987989743.db2.gz VSTJBYJDNWPFCD-NWDGAFQWSA-N 3 1 231.359 1.137 20 0 BDADMP C[C@@H]1CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246560696 987990942 /nfs/dbraw/zinc/99/09/42/987990942.db2.gz RZRRTFRAWILJKS-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246562087 987993502 /nfs/dbraw/zinc/99/35/02/987993502.db2.gz VSTJBYJDNWPFCD-NEPJUHHUSA-N 3 1 231.359 1.137 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246563536 988004364 /nfs/dbraw/zinc/00/43/64/988004364.db2.gz VHLATRKRJMQHPQ-JHJVBQTASA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@](O)(CF)C2)C[NH2+]1 ZINC001246562951 988007714 /nfs/dbraw/zinc/00/77/14/988007714.db2.gz APVFCAMBRABKOM-UPJWGTAASA-N 2 1 244.354 1.313 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](O)(CF)C2)C[NH2+]1 ZINC001246562951 988007730 /nfs/dbraw/zinc/00/77/30/988007730.db2.gz APVFCAMBRABKOM-UPJWGTAASA-N 2 1 244.354 1.313 20 0 BDADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001480565987 988009769 /nfs/dbraw/zinc/00/97/69/988009769.db2.gz QVNJUHYOWGPJMF-LBPRGKRZSA-N 2 1 243.395 1.079 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246565709 988016844 /nfs/dbraw/zinc/01/68/44/988016844.db2.gz PQDKWVVXNXYRAG-AGIUHOORSA-N 2 1 228.380 1.859 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246565709 988016861 /nfs/dbraw/zinc/01/68/61/988016861.db2.gz PQDKWVVXNXYRAG-AGIUHOORSA-N 2 1 228.380 1.859 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cnc(C)nc1C ZINC001118122497 988020126 /nfs/dbraw/zinc/02/01/26/988020126.db2.gz YMXWKWXMBLZEDE-VHSXEESVSA-N 2 1 236.363 1.742 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1F ZINC001246566668 988030162 /nfs/dbraw/zinc/03/01/62/988030162.db2.gz TYSLIDCUIQGFQB-RCWTZXSCSA-N 2 1 200.301 1.417 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1F ZINC001246566668 988030179 /nfs/dbraw/zinc/03/01/79/988030179.db2.gz TYSLIDCUIQGFQB-RCWTZXSCSA-N 2 1 200.301 1.417 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCCNC2)CCC[C@H]1C[NH3+] ZINC001246567370 988032643 /nfs/dbraw/zinc/03/26/43/988032643.db2.gz KSKRDEMTNJDAHI-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2)CCC[C@H]1C[NH3+] ZINC001246567370 988032661 /nfs/dbraw/zinc/03/26/61/988032661.db2.gz KSKRDEMTNJDAHI-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](F)C2)CC[NH2+]1 ZINC001246568335 988037424 /nfs/dbraw/zinc/03/74/24/988037424.db2.gz QWZWZAIMSPCMCZ-WOPDTQHZSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](F)C2)CC[NH2+]1 ZINC001246568335 988037438 /nfs/dbraw/zinc/03/74/38/988037438.db2.gz QWZWZAIMSPCMCZ-WOPDTQHZSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](F)C2)CC[NH2+]1 ZINC001246568333 988043766 /nfs/dbraw/zinc/04/37/66/988043766.db2.gz QWZWZAIMSPCMCZ-UTUOFQBUSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](F)C2)CC[NH2+]1 ZINC001246568333 988043782 /nfs/dbraw/zinc/04/37/82/988043782.db2.gz QWZWZAIMSPCMCZ-UTUOFQBUSA-N 2 1 214.328 1.951 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246568509 988044142 /nfs/dbraw/zinc/04/41/42/988044142.db2.gz OPSAFIYFDKDCOS-SRVKXCTJSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@H]([NH3+])[C@H](C)c1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001118171855 988070433 /nfs/dbraw/zinc/07/04/33/988070433.db2.gz HWIMVPRTVXVZIJ-ATZCPNFKSA-N 2 1 246.314 1.568 20 0 BDADMP Cn1ccnc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118180729 988074084 /nfs/dbraw/zinc/07/40/84/988074084.db2.gz MFOCFMDVBMAUQK-UHFFFAOYSA-N 2 1 248.374 1.386 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246573793 988075069 /nfs/dbraw/zinc/07/50/69/988075069.db2.gz ZDMFORNRHUWJSW-RQJABVFESA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CC[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246576499 988083363 /nfs/dbraw/zinc/08/33/63/988083363.db2.gz KLJWXMRZYGHWPW-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578788 988104364 /nfs/dbraw/zinc/10/43/64/988104364.db2.gz CDRDBMXQOIDGNI-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578788 988104387 /nfs/dbraw/zinc/10/43/87/988104387.db2.gz CDRDBMXQOIDGNI-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246582500 988111832 /nfs/dbraw/zinc/11/18/32/988111832.db2.gz ZSZKXBDZDYLCPH-SDDRHHMPSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@]1(CF)CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246581566 988114507 /nfs/dbraw/zinc/11/45/07/988114507.db2.gz YZADYIUBOUSEOD-LLVKDONJSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246582821 988118898 /nfs/dbraw/zinc/11/88/98/988118898.db2.gz TZEOVWBWUSEMBJ-RWMBFGLXSA-N 2 1 244.354 1.707 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246582821 988118910 /nfs/dbraw/zinc/11/89/10/988118910.db2.gz TZEOVWBWUSEMBJ-RWMBFGLXSA-N 2 1 244.354 1.707 20 0 BDADMP CCCC[C@H](CCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583825 988123095 /nfs/dbraw/zinc/12/30/95/988123095.db2.gz KYJKZKLLFAPHQF-AVGNSLFASA-N 2 1 228.380 1.597 20 0 BDADMP CCCC[C@H](CCC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246584024 988128999 /nfs/dbraw/zinc/12/89/99/988128999.db2.gz KYJKZKLLFAPHQF-RWMBFGLXSA-N 2 1 228.380 1.597 20 0 BDADMP N[C@@H]1CC[N@H+]([C@@H]2CCCOCC2)CC[C@H]1F ZINC001246586076 988131348 /nfs/dbraw/zinc/13/13/48/988131348.db2.gz LDUSSYYFUSQLTM-IJLUTSLNSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCOCC2)CC[C@H]1F ZINC001246586076 988131373 /nfs/dbraw/zinc/13/13/73/988131373.db2.gz LDUSSYYFUSQLTM-IJLUTSLNSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCOCC2)CC[C@H]1F ZINC001246586076 988131393 /nfs/dbraw/zinc/13/13/93/988131393.db2.gz LDUSSYYFUSQLTM-IJLUTSLNSA-N 2 1 230.327 1.317 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@]1(C)O ZINC001246587160 988145470 /nfs/dbraw/zinc/14/54/70/988145470.db2.gz FTPCOEUSFYODEE-SYCZCVCYSA-N 2 1 238.375 1.362 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001246587344 988150366 /nfs/dbraw/zinc/15/03/66/988150366.db2.gz NZZHXYRLOVRLPJ-IFWUJCSASA-N 2 1 243.370 1.278 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246587344 988150374 /nfs/dbraw/zinc/15/03/74/988150374.db2.gz NZZHXYRLOVRLPJ-IFWUJCSASA-N 3 1 243.370 1.278 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246587344 988150396 /nfs/dbraw/zinc/15/03/96/988150396.db2.gz NZZHXYRLOVRLPJ-IFWUJCSASA-N 3 1 243.370 1.278 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCO1 ZINC001246589012 988153892 /nfs/dbraw/zinc/15/38/92/988153892.db2.gz QUJQVLMMIPILMO-KKOKHZNYSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCO1 ZINC001246589012 988153906 /nfs/dbraw/zinc/15/39/06/988153906.db2.gz QUJQVLMMIPILMO-KKOKHZNYSA-N 2 1 230.327 1.315 20 0 BDADMP COc1ccc2c(c1)C[C@H]([NH+]1CC(C)(C[NH3+])C1)C2 ZINC001246593072 988174470 /nfs/dbraw/zinc/17/44/70/988174470.db2.gz DULGKEXJQNQXDR-CYBMUJFWSA-N 2 1 246.354 1.443 20 0 BDADMP CC1(C[NH3+])C[NH+]([C@H]2CCc3ncsc3C2)C1 ZINC001246592155 988177302 /nfs/dbraw/zinc/17/73/02/988177302.db2.gz YLCKWQZMIKSVCJ-VIFPVBQESA-N 2 1 237.372 1.281 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2CCSCC2)CC[C@@H]1F ZINC001246594967 988188409 /nfs/dbraw/zinc/18/84/09/988188409.db2.gz XIPBUAJNTLVBJL-QWRGUYRKSA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2CCSCC2)CC[C@@H]1F ZINC001246594967 988188420 /nfs/dbraw/zinc/18/84/20/988188420.db2.gz XIPBUAJNTLVBJL-QWRGUYRKSA-N 2 1 232.368 1.643 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597653 988194369 /nfs/dbraw/zinc/19/43/69/988194369.db2.gz YAHXJDSSEKJRNS-MJBXVCDLSA-N 3 1 239.407 1.578 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597653 988194376 /nfs/dbraw/zinc/19/43/76/988194376.db2.gz YAHXJDSSEKJRNS-MJBXVCDLSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC([NH3+])C3)CC2)CC[NH2+]1 ZINC001246603868 988217255 /nfs/dbraw/zinc/21/72/55/988217255.db2.gz PALRBBWQXYWBPS-AAEUAGOBSA-N 3 1 237.391 1.330 20 0 BDADMP C[NH2+]CC[C@@H](C)N1CCC2(CCC[NH2+]C2)CC1 ZINC001246611847 988236094 /nfs/dbraw/zinc/23/60/94/988236094.db2.gz CWGXMDYKZNWUNX-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP CC1CCC(N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001246622772 988262759 /nfs/dbraw/zinc/26/27/59/988262759.db2.gz IQDCVWAVPYULOH-RUXDESIVSA-N 2 1 237.391 1.202 20 0 BDADMP CCCCC[C@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246624611 988284938 /nfs/dbraw/zinc/28/49/38/988284938.db2.gz OBGNJTSECSMZGV-UONOGXRCSA-N 2 1 239.407 1.593 20 0 BDADMP FC1(F)C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246635353 988325538 /nfs/dbraw/zinc/32/55/38/988325538.db2.gz QTBSVOWNWIVBJX-ARHMULMVSA-N 2 1 242.313 1.856 20 0 BDADMP CC1(C)CC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246642717 988343927 /nfs/dbraw/zinc/34/39/27/988343927.db2.gz NELSKEBUPXFJOK-OCCSQVGLSA-N 2 1 237.391 1.202 20 0 BDADMP CCOC1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246640942 988348631 /nfs/dbraw/zinc/34/86/31/988348631.db2.gz VJBPPMAYFJGZDO-NWINJMCUSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641527 988349471 /nfs/dbraw/zinc/34/94/71/988349471.db2.gz JAMYRKQKNUTUBY-QNWHQSFQSA-N 2 1 224.348 1.380 20 0 BDADMP CCCCC[C@@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246640734 988350871 /nfs/dbraw/zinc/35/08/71/988350871.db2.gz GWNFNHWELXAZIY-ZIAGYGMSSA-N 2 1 239.407 1.593 20 0 BDADMP C1C[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246653953 988379891 /nfs/dbraw/zinc/37/98/91/988379891.db2.gz GARWNBFVOQGCQE-VXGBXAGGSA-N 2 1 208.349 1.860 20 0 BDADMP C1C[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246653953 988379905 /nfs/dbraw/zinc/37/99/05/988379905.db2.gz GARWNBFVOQGCQE-VXGBXAGGSA-N 2 1 208.349 1.860 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC1 ZINC001246655398 988388405 /nfs/dbraw/zinc/38/84/05/988388405.db2.gz HQCFWUNTLGKXIL-RYSNWHEDSA-N 3 1 237.391 1.201 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2C[C@H]3CCCN[C@H]3C2)CC1 ZINC001246655398 988388417 /nfs/dbraw/zinc/38/84/17/988388417.db2.gz HQCFWUNTLGKXIL-RYSNWHEDSA-N 2 1 237.391 1.201 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H]3CCCN[C@H]3C2)CC1 ZINC001246655398 988388431 /nfs/dbraw/zinc/38/84/31/988388431.db2.gz HQCFWUNTLGKXIL-RYSNWHEDSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1[nH+]cc2n1CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246659794 988393775 /nfs/dbraw/zinc/39/37/75/988393775.db2.gz HIMJTMJIMDQXCL-FUNVUKJBSA-N 2 1 246.358 1.290 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246666586 988410718 /nfs/dbraw/zinc/41/07/18/988410718.db2.gz WKSXRQVCOQNUCE-JQWIXIFHSA-N 2 1 234.347 1.148 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)C[NH2+]1 ZINC001246676564 988421390 /nfs/dbraw/zinc/42/13/90/988421390.db2.gz CHHJVLSZJPMFQU-NNYUYHANSA-N 2 1 222.332 1.323 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)C[NH2+]1 ZINC001246676564 988421393 /nfs/dbraw/zinc/42/13/93/988421393.db2.gz CHHJVLSZJPMFQU-NNYUYHANSA-N 2 1 222.332 1.323 20 0 BDADMP COC[C@@]12CCC[C@@H]1C[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246729535 988446489 /nfs/dbraw/zinc/44/64/89/988446489.db2.gz OTKVUUAPZALSJF-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2cccnc2)CC[NH2+]1 ZINC001246814447 988496739 /nfs/dbraw/zinc/49/67/39/988496739.db2.gz PFFFWGXPPJXRGH-JSGCOSHPSA-N 2 1 233.359 1.696 20 0 BDADMP CC[C@H]1COCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246851634 988570537 /nfs/dbraw/zinc/57/05/37/988570537.db2.gz ZCVIBIXAUMWSBN-GRYCIOLGSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@H]1COCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246851634 988570555 /nfs/dbraw/zinc/57/05/55/988570555.db2.gz ZCVIBIXAUMWSBN-GRYCIOLGSA-N 2 1 212.337 1.238 20 0 BDADMP C1N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC12CCC[NH2+]CC2 ZINC001246852404 988573222 /nfs/dbraw/zinc/57/32/22/988573222.db2.gz DDNCSQJSPAUTLO-PBWFPOADSA-N 2 1 249.402 1.345 20 0 BDADMP CC(C)CC[C@@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861960 988601669 /nfs/dbraw/zinc/60/16/69/988601669.db2.gz SJZQSROMPPMZJM-HABKJSAYSA-N 2 1 240.391 1.717 20 0 BDADMP CC1(C)C[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001246865180 988610420 /nfs/dbraw/zinc/61/04/20/988610420.db2.gz YIEQNGPUFPSKIR-WZRBSPASSA-N 2 1 224.348 1.367 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@@H]1CCc3c(F)cccc3C1)C2 ZINC001246868674 988625022 /nfs/dbraw/zinc/62/50/22/988625022.db2.gz KCEVJFNPDLZUCX-ZOWXZIJZSA-N 2 1 246.329 1.716 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@@H]1CCc3c(F)cccc3C1)C2 ZINC001246868674 988625029 /nfs/dbraw/zinc/62/50/29/988625029.db2.gz KCEVJFNPDLZUCX-ZOWXZIJZSA-N 2 1 246.329 1.716 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246878311 988640835 /nfs/dbraw/zinc/64/08/35/988640835.db2.gz KKZJVXUZRTZEKF-VOAKCMCISA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH2+]1 ZINC001246874891 988645514 /nfs/dbraw/zinc/64/55/14/988645514.db2.gz WNZARWZSHAGUDY-KZZRWZIVSA-N 2 1 212.312 1.274 20 0 BDADMP CC[C@H]1CC([N@@H+](C)CCCC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246890578 988659412 /nfs/dbraw/zinc/65/94/12/988659412.db2.gz IKVDNDKSPMDCAS-STQMWFEESA-N 3 1 241.423 1.966 20 0 BDADMP CC[N@@H+](CCN)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246892045 988659883 /nfs/dbraw/zinc/65/98/83/988659883.db2.gz OUBKQXYFGQDXQR-UHFFFAOYSA-N 2 1 239.407 1.579 20 0 BDADMP CCCC[C@@H]1C[C@@H]([N@@H+](C)CCO)CC[NH2+]1 ZINC001246913194 988668983 /nfs/dbraw/zinc/66/89/83/988668983.db2.gz PSHPSJGMURAOLD-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[N@@H+](CC(C)C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246910270 988687912 /nfs/dbraw/zinc/68/79/12/988687912.db2.gz KJXIWGGCIJKXAC-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[C@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246908963 988691214 /nfs/dbraw/zinc/69/12/14/988691214.db2.gz HJZCSSDMJKUFFH-CYDGBPFRSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246908963 988691222 /nfs/dbraw/zinc/69/12/22/988691222.db2.gz HJZCSSDMJKUFFH-CYDGBPFRSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913753 988702200 /nfs/dbraw/zinc/70/22/00/988702200.db2.gz LQFOOIRKJMGRQL-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913753 988702210 /nfs/dbraw/zinc/70/22/10/988702210.db2.gz LQFOOIRKJMGRQL-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP C1[C@H]2C[NH2+]C[C@@H]2N1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246915392 988709262 /nfs/dbraw/zinc/70/92/62/988709262.db2.gz FZQZFFFWLXFWSH-SNPRPXQTSA-N 2 1 249.402 1.297 20 0 BDADMP CC(C)O[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246995216 988830159 /nfs/dbraw/zinc/83/01/59/988830159.db2.gz RXAVVATYAOYZHH-YNEHKIRRSA-N 2 1 226.364 1.626 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997354 988831725 /nfs/dbraw/zinc/83/17/25/988831725.db2.gz UDPYIDZINOGPTG-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247005142 988838116 /nfs/dbraw/zinc/83/81/16/988838116.db2.gz GERRHROTXWKCAJ-RDBSUJKOSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]([NH3+])c1nc2ccc(C[NH+](C)C)cc2[nH]1 ZINC001247019945 988843062 /nfs/dbraw/zinc/84/30/62/988843062.db2.gz JDLNRFQZCBYVAQ-MRVPVSSYSA-N 2 1 218.304 1.644 20 0 BDADMP C1[C@@H]2C[C@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@H]12 ZINC001247016329 988844091 /nfs/dbraw/zinc/84/40/91/988844091.db2.gz SVCDSQYKCLOQOZ-ODXJTPSBSA-N 2 1 220.360 1.859 20 0 BDADMP C1[C@@H]2C[C@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@H]12 ZINC001247016329 988844095 /nfs/dbraw/zinc/84/40/95/988844095.db2.gz SVCDSQYKCLOQOZ-ODXJTPSBSA-N 2 1 220.360 1.859 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CO1 ZINC001247016155 988844628 /nfs/dbraw/zinc/84/46/28/988844628.db2.gz SAODTXBAROGNRD-AVGNSLFASA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@H+](CCNc1nc(N)cc(C)[nH+]1)C1CC1 ZINC001515426511 989049109 /nfs/dbraw/zinc/04/91/09/989049109.db2.gz LCYAMOTXCRICTH-UHFFFAOYSA-N 2 1 235.335 1.263 20 0 BDADMP CC[N@@H+](CCNc1nc(N)cc(C)[nH+]1)C1CC1 ZINC001515426511 989049110 /nfs/dbraw/zinc/04/91/10/989049110.db2.gz LCYAMOTXCRICTH-UHFFFAOYSA-N 2 1 235.335 1.263 20 0 BDADMP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c(N)n2)C1 ZINC001515514406 989056178 /nfs/dbraw/zinc/05/61/78/989056178.db2.gz LLFBDMYJLMYEJM-LLVKDONJSA-N 2 1 249.362 1.227 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c(N)n2)C1 ZINC001515514406 989056187 /nfs/dbraw/zinc/05/61/87/989056187.db2.gz LLFBDMYJLMYEJM-LLVKDONJSA-N 2 1 249.362 1.227 20 0 BDADMP C[NH2+][C@H](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC001325744787 989246754 /nfs/dbraw/zinc/24/67/54/989246754.db2.gz VJDXWCHEBRZYDS-XJFOESAGSA-N 2 1 239.407 1.447 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC001325744787 989246767 /nfs/dbraw/zinc/24/67/67/989246767.db2.gz VJDXWCHEBRZYDS-XJFOESAGSA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC001325744787 989246782 /nfs/dbraw/zinc/24/67/82/989246782.db2.gz VJDXWCHEBRZYDS-XJFOESAGSA-N 3 1 239.407 1.447 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC001119688507 989335977 /nfs/dbraw/zinc/33/59/77/989335977.db2.gz HLSMUQIBWOPCFZ-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@]1(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]C1 ZINC001326231869 989439344 /nfs/dbraw/zinc/43/93/44/989439344.db2.gz LKTXIZHUMORNRY-PIGZVRMJSA-N 2 1 238.375 1.079 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)C[NH2+]CC(C)C ZINC001326409446 989546825 /nfs/dbraw/zinc/54/68/25/989546825.db2.gz WILCNYYQXUCHEL-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP Cc1cc(N)nc(NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC001120031246 989567833 /nfs/dbraw/zinc/56/78/33/989567833.db2.gz PHRDZOUKMAUKTO-UHFFFAOYSA-N 2 1 233.319 1.041 20 0 BDADMP COCC[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326584777 989616177 /nfs/dbraw/zinc/61/61/77/989616177.db2.gz ZGWQVJNCBWGWDH-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC(C)(C)[NH3+])C[C@@H]2C1 ZINC001120269334 989624280 /nfs/dbraw/zinc/62/42/80/989624280.db2.gz QCTKZWNISAAZRL-FRRDWIJNSA-N 3 1 239.407 1.386 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CC(C)(C)N)C[C@@H]2C1 ZINC001120269334 989624283 /nfs/dbraw/zinc/62/42/83/989624283.db2.gz QCTKZWNISAAZRL-FRRDWIJNSA-N 2 1 239.407 1.386 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC(C)(C)N)C[C@@H]2C1 ZINC001120269334 989624285 /nfs/dbraw/zinc/62/42/85/989624285.db2.gz QCTKZWNISAAZRL-FRRDWIJNSA-N 2 1 239.407 1.386 20 0 BDADMP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)cc1 ZINC001326940351 989777098 /nfs/dbraw/zinc/77/70/98/989777098.db2.gz JPGZXAYUVCRTLB-LLVKDONJSA-N 2 1 234.347 1.881 20 0 BDADMP C[C@H](C[NH3+])c1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001326976266 989795199 /nfs/dbraw/zinc/79/51/99/989795199.db2.gz DFAXBCKJUMCIKB-PSASIEDQSA-N 2 1 232.287 1.180 20 0 BDADMP C[C@@H](Nc1cc(N)[nH+]cn1)C(C)(C)C[NH+](C)C ZINC001120902073 989959165 /nfs/dbraw/zinc/95/91/65/989959165.db2.gz IFGCRIGIXQSMNV-SECBINFHSA-N 2 1 237.351 1.447 20 0 BDADMP C[C@@H](Nc1cc(N)nc[nH+]1)C(C)(C)C[NH+](C)C ZINC001120902073 989959173 /nfs/dbraw/zinc/95/91/73/989959173.db2.gz IFGCRIGIXQSMNV-SECBINFHSA-N 2 1 237.351 1.447 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ncccc3O)C[C@@H]2C1 ZINC001138393056 990927244 /nfs/dbraw/zinc/92/72/44/990927244.db2.gz PDJOVLLNLXPLIM-NEPJUHHUSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ncccc3O)C[C@@H]2C1 ZINC001138393056 990927255 /nfs/dbraw/zinc/92/72/55/990927255.db2.gz PDJOVLLNLXPLIM-NEPJUHHUSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ncccc3O)C[C@@H]2C1 ZINC001138393056 990927262 /nfs/dbraw/zinc/92/72/62/990927262.db2.gz PDJOVLLNLXPLIM-NEPJUHHUSA-N 2 1 247.342 1.171 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001258079368 990980508 /nfs/dbraw/zinc/98/05/08/990980508.db2.gz OPOGWQIAKYKUAR-GFCCVEGCSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001258079368 990980496 /nfs/dbraw/zinc/98/04/96/990980496.db2.gz OPOGWQIAKYKUAR-GFCCVEGCSA-N 2 1 214.353 1.374 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001258113458 991021640 /nfs/dbraw/zinc/02/16/40/991021640.db2.gz WCUIQJNZOGPIHO-NEPJUHHUSA-N 2 1 244.379 1.635 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001308555391 991034292 /nfs/dbraw/zinc/03/42/92/991034292.db2.gz VOMWUDIWFOBCSF-QLFBSQMISA-N 2 1 245.370 1.820 20 0 BDADMP CSCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258227233 991160030 /nfs/dbraw/zinc/16/00/30/991160030.db2.gz WVBYAKHIZAAOKM-UTUOFQBUSA-N 2 1 228.405 1.621 20 0 BDADMP CSCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258227233 991160048 /nfs/dbraw/zinc/16/00/48/991160048.db2.gz WVBYAKHIZAAOKM-UTUOFQBUSA-N 2 1 228.405 1.621 20 0 BDADMP CSCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258227233 991160058 /nfs/dbraw/zinc/16/00/58/991160058.db2.gz WVBYAKHIZAAOKM-UTUOFQBUSA-N 2 1 228.405 1.621 20 0 BDADMP CC1(C)CCC[C@@H]([N@H+](CC[NH3+])CCO)C1 ZINC001258273030 991201125 /nfs/dbraw/zinc/20/11/25/991201125.db2.gz GJZGKGOMYGKAPD-LLVKDONJSA-N 2 1 214.353 1.208 20 0 BDADMP CC1(C)CCC[C@@H]([N@@H+](CC[NH3+])CCO)C1 ZINC001258273030 991201144 /nfs/dbraw/zinc/20/11/44/991201144.db2.gz GJZGKGOMYGKAPD-LLVKDONJSA-N 2 1 214.353 1.208 20 0 BDADMP C[C@H](CC1CC1)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001258453640 991404358 /nfs/dbraw/zinc/40/43/58/991404358.db2.gz DODFYMDSTDXSPO-BXUZGUMPSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc2cnccn12 ZINC001560300947 991448016 /nfs/dbraw/zinc/44/80/16/991448016.db2.gz CAUGKWKCRWEROD-NSHDSACASA-N 2 1 247.346 1.159 20 0 BDADMP CCOC(=O)CC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001258487262 991458942 /nfs/dbraw/zinc/45/89/42/991458942.db2.gz PURUYNWVAUJIOK-GFCCVEGCSA-N 2 1 244.379 1.602 20 0 BDADMP C[C@@H](Cc1cccnc1)n1cc[nH+]c1CCC[NH3+] ZINC001258620502 991553401 /nfs/dbraw/zinc/55/34/01/991553401.db2.gz MQYVOMNWXSNBCZ-LBPRGKRZSA-N 2 1 244.342 1.973 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3ccncc3O)C2)CC1 ZINC001140281169 991598742 /nfs/dbraw/zinc/59/87/42/991598742.db2.gz YZZBHRFOVIOBGN-UHFFFAOYSA-N 2 1 247.342 1.315 20 0 BDADMP CN1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC001560874258 991632708 /nfs/dbraw/zinc/63/27/08/991632708.db2.gz RSMUGRSGTKOKMW-CYBMUJFWSA-N 2 1 239.407 1.545 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001258907038 991894863 /nfs/dbraw/zinc/89/48/63/991894863.db2.gz DIJXSAWTJPOAJJ-BFHYXJOUSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001567053630 991932550 /nfs/dbraw/zinc/93/25/50/991932550.db2.gz AJRLUOMMXHPWDG-NSHDSACASA-N 2 1 243.395 1.079 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001320576885 992253641 /nfs/dbraw/zinc/25/36/41/992253641.db2.gz LJFLLOWWFBPRGV-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH2+]C(C)C ZINC001569260168 992348936 /nfs/dbraw/zinc/34/89/36/992348936.db2.gz ZWBDMGJBBURFDX-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001262008498 992591166 /nfs/dbraw/zinc/59/11/66/992591166.db2.gz OOKAOYVHTSNLJH-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CC[C@@H](NCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001573640352 992663729 /nfs/dbraw/zinc/66/37/29/992663729.db2.gz HPWGUUNXUOPXPS-UKRRQHHQSA-N 2 1 247.386 1.588 20 0 BDADMP COCC1(C[NH2+][C@H]2CCC[NH2+]C2)CCCCC1 ZINC001573974157 992783090 /nfs/dbraw/zinc/78/30/90/992783090.db2.gz IEYOZLXSQRZKGQ-ZDUSSCGKSA-N 2 1 240.391 1.925 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262202529 992799962 /nfs/dbraw/zinc/79/99/62/992799962.db2.gz WGJNIXZZWXGMBB-RNJOBUHISA-N 3 1 239.407 1.208 20 0 BDADMP CC[C@H](O)C[NH2+]CCn1cc[nH+]c1C(C)C ZINC001262558854 992913758 /nfs/dbraw/zinc/91/37/58/992913758.db2.gz RITHQFAZIYBTOW-NSHDSACASA-N 2 1 225.336 1.367 20 0 BDADMP CC(=O)NCC1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001575006635 992964324 /nfs/dbraw/zinc/96/43/24/992964324.db2.gz PBUBJUWPHBQRRY-UHFFFAOYSA-N 2 1 241.379 1.008 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1CCN(CC(F)F)CC1 ZINC001575318276 993009924 /nfs/dbraw/zinc/00/99/24/993009924.db2.gz REGZRNBDCYPLPA-UHFFFAOYSA-N 2 1 235.322 1.043 20 0 BDADMP c1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC001262672611 993016595 /nfs/dbraw/zinc/01/65/95/993016595.db2.gz FYGWNDKWLNECIQ-AWEZNQCLSA-N 2 1 231.343 1.932 20 0 BDADMP C[C@H](CNc1cc[nH+]c(N)n1)[N@@H+]1CCC[C@H](C)C1 ZINC001262679008 993021481 /nfs/dbraw/zinc/02/14/81/993021481.db2.gz WXIVYFIIGZOGBS-WDEREUQCSA-N 2 1 249.362 1.591 20 0 BDADMP C[C@H](CNc1cc[nH+]c(N)n1)[N@H+]1CCC[C@H](C)C1 ZINC001262679008 993021489 /nfs/dbraw/zinc/02/14/89/993021489.db2.gz WXIVYFIIGZOGBS-WDEREUQCSA-N 2 1 249.362 1.591 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1cc[nH+]cc1 ZINC001262686407 993027293 /nfs/dbraw/zinc/02/72/93/993027293.db2.gz IVPZJJQCKCSVPF-ZWNOBZJWSA-N 2 1 217.316 1.398 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])NC[C@H]1CCC[N@H+]1C ZINC001575409344 993037122 /nfs/dbraw/zinc/03/71/22/993037122.db2.gz BIKNAOXDFNKFCM-VXGBXAGGSA-N 2 1 213.369 1.044 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCc2ccc(O)cc2C1 ZINC001575421951 993040045 /nfs/dbraw/zinc/04/00/45/993040045.db2.gz DEXRIZDMFBXKMC-CQSZACIVSA-N 2 1 248.370 1.981 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C1CCS(=O)CC1 ZINC001575422014 993040359 /nfs/dbraw/zinc/04/03/59/993040359.db2.gz FSOLSQJKSRTRPN-FZWSLVFFSA-N 2 1 246.420 1.060 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575423071 993042621 /nfs/dbraw/zinc/04/26/21/993042621.db2.gz ORCYDQVPFWYPMX-RKDXNWHRSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575436505 993043855 /nfs/dbraw/zinc/04/38/55/993043855.db2.gz ZPVOZHWIRHHZMT-RKDXNWHRSA-N 2 1 242.285 1.120 20 0 BDADMP Nc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ncn1 ZINC001262701398 993044957 /nfs/dbraw/zinc/04/49/57/993044957.db2.gz LFDRKDDKJQJLQW-MNOVXSKESA-N 2 1 247.346 1.488 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001575472977 993051270 /nfs/dbraw/zinc/05/12/70/993051270.db2.gz ROGJPFGAHPOYFH-XQQFMLRXSA-N 2 1 226.364 1.207 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CS1 ZINC001575499249 993058760 /nfs/dbraw/zinc/05/87/60/993058760.db2.gz QTUGNKBFMDMPJG-QBHFIFKDSA-N 2 1 240.416 1.858 20 0 BDADMP CC(C)C[C@H](CO)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001575545113 993069051 /nfs/dbraw/zinc/06/90/51/993069051.db2.gz LANVGGMNEJDYTI-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575591050 993077403 /nfs/dbraw/zinc/07/74/03/993077403.db2.gz FGRBOMCAXSIMNC-ROKHWSDSSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H](CCCO)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575954192 993138235 /nfs/dbraw/zinc/13/82/35/993138235.db2.gz QXYVSHPBYMMDIK-IUCAKERBSA-N 2 1 242.285 1.264 20 0 BDADMP C[C@@H](CCn1cccn1)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575971472 993146157 /nfs/dbraw/zinc/14/61/57/993146157.db2.gz GAUDDOBPZOMGSY-RNJOBUHISA-N 2 1 234.347 1.144 20 0 BDADMP C[C@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Cn1cccn1 ZINC001576033055 993161947 /nfs/dbraw/zinc/16/19/47/993161947.db2.gz LHRVHRRKVMSMHY-ZJUUUORDSA-N 2 1 246.305 1.091 20 0 BDADMP C[C@H]([N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)O ZINC001576081770 993173946 /nfs/dbraw/zinc/17/39/46/993173946.db2.gz QHOSWFJJYLMTAM-GARJFASQSA-N 2 1 214.353 1.205 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2nonc2c1)[C@H](C)[NH3+] ZINC001576102760 993180947 /nfs/dbraw/zinc/18/09/47/993180947.db2.gz HMMYSQRTSTWNGA-JGVFFNPUSA-N 2 1 220.276 1.048 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001576104778 993184705 /nfs/dbraw/zinc/18/47/05/993184705.db2.gz IXBGVQBRPBYOOH-NKVNRFPTSA-N 2 1 242.363 1.432 20 0 BDADMP C[C@@H]([NH2+]C1CC2(C[C@@H]2[NH3+])C1)c1csnn1 ZINC001576238937 993225283 /nfs/dbraw/zinc/22/52/83/993225283.db2.gz JJTUIPWZLGDKHC-SDFOGQBQSA-N 2 1 224.333 1.069 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C(=O)OC(C)(C)C ZINC001576246427 993233125 /nfs/dbraw/zinc/23/31/25/993233125.db2.gz WCLYGLDVULONBV-OUAUKWLOSA-N 2 1 242.363 1.434 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCO1 ZINC001576250218 993234501 /nfs/dbraw/zinc/23/45/01/993234501.db2.gz CKMBSZPCKCFBOB-OSUNSFLBSA-N 2 1 210.321 1.036 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+]CCF)CC1 ZINC000379496178 993248387 /nfs/dbraw/zinc/24/83/87/993248387.db2.gz ZONIKXMMHTXUAJ-UHFFFAOYSA-N 2 1 202.317 1.666 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CC2(C[NH3+])CCC2)C1 ZINC001576395185 993295285 /nfs/dbraw/zinc/29/52/85/993295285.db2.gz YXBFPZKRAPZROB-NSHDSACASA-N 2 1 226.364 1.208 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000380242853 993322233 /nfs/dbraw/zinc/32/22/33/993322233.db2.gz WIFCJRGQEMUNIY-GFCCVEGCSA-N 2 1 236.363 1.289 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@H](C[NH3+])C2)CCCCO1 ZINC001576504000 993323966 /nfs/dbraw/zinc/32/39/66/993323966.db2.gz ZYJIZVINHGJVNC-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@H](C[NH3+])C2)CCCCO1 ZINC001576503998 993325627 /nfs/dbraw/zinc/32/56/27/993325627.db2.gz ZYJIZVINHGJVNC-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@]1(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C[NH2+]CCO1 ZINC001576519102 993330243 /nfs/dbraw/zinc/33/02/43/993330243.db2.gz KGCTYOISQWSAGO-CYDGBPFRSA-N 2 1 224.348 1.143 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CCC[NH2+]C2)C[C@H]2C[C@H]2C1 ZINC001576520073 993331269 /nfs/dbraw/zinc/33/12/69/993331269.db2.gz XNVWVFIPPNDIJN-QNWHQSFQSA-N 2 1 208.349 1.764 20 0 BDADMP C[C@@]1([NH2+]C[C@H]2CCC[NH2+]2)CCO[C@H]1C1CC1 ZINC001576546053 993338828 /nfs/dbraw/zinc/33/88/28/993338828.db2.gz YMQJVYCZUJRNKQ-FRRDWIJNSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@H]1C(=O)CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC001576564621 993345595 /nfs/dbraw/zinc/34/55/95/993345595.db2.gz QUSVPNXNZXSWQM-WDEREUQCSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H]1C(=O)CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC001576564621 993345602 /nfs/dbraw/zinc/34/56/02/993345602.db2.gz QUSVPNXNZXSWQM-WDEREUQCSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001576571904 993348581 /nfs/dbraw/zinc/34/85/81/993348581.db2.gz HDMIDCMIDHVLJW-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC001576597765 993361051 /nfs/dbraw/zinc/36/10/51/993361051.db2.gz HPFGURLSZPAHCI-FVCCEPFGSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC001576597765 993361057 /nfs/dbraw/zinc/36/10/57/993361057.db2.gz HPFGURLSZPAHCI-FVCCEPFGSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC001576596852 993361089 /nfs/dbraw/zinc/36/10/89/993361089.db2.gz AVIRILROUCREFQ-FVCCEPFGSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001576623387 993372636 /nfs/dbraw/zinc/37/26/36/993372636.db2.gz KQBDHXUECULBAZ-OSUNSFLBSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H]1CC[C@](CO)([N@@H+](C)CCCCCC[NH3+])C1 ZINC001576652793 993384041 /nfs/dbraw/zinc/38/40/41/993384041.db2.gz YUKFBHWIVMAPMJ-KGLIPLIRSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)O1 ZINC001576648958 993384052 /nfs/dbraw/zinc/38/40/52/993384052.db2.gz CNTRSWCCAVRNNT-NDBYEHHHSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)C[NH2+]CCO2)CS1 ZINC001576669858 993389152 /nfs/dbraw/zinc/38/91/52/993389152.db2.gz AZXZIEYANGXJND-GRYCIOLGSA-N 2 1 244.404 1.239 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729690 993409061 /nfs/dbraw/zinc/40/90/61/993409061.db2.gz WCTPPPJWXGEMAD-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC001576729535 993410059 /nfs/dbraw/zinc/41/00/59/993410059.db2.gz QEDCICAIHADYSM-APYLGABCSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001576731627 993410736 /nfs/dbraw/zinc/41/07/36/993410736.db2.gz MNNNUTINCUKIEC-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001576731627 993410739 /nfs/dbraw/zinc/41/07/39/993410739.db2.gz MNNNUTINCUKIEC-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCCCO2)CC[C@@H]1[NH3+] ZINC001576801698 993428900 /nfs/dbraw/zinc/42/89/00/993428900.db2.gz UCVJAIKDISDKTQ-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCC2CSC2)C1 ZINC001576850582 993434487 /nfs/dbraw/zinc/43/44/87/993434487.db2.gz UIUIURXMNSLLDP-ONGXEEELSA-N 2 1 214.378 1.327 20 0 BDADMP C[C@@H](C[NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382028574 993436453 /nfs/dbraw/zinc/43/64/53/993436453.db2.gz CCTUAMCFVLGZFV-ZFWWWQNUSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000382028574 993436458 /nfs/dbraw/zinc/43/64/58/993436458.db2.gz CCTUAMCFVLGZFV-ZFWWWQNUSA-N 2 1 247.386 1.445 20 0 BDADMP Cc1c(C[N@H+]2CCCC[C@H](C[NH3+])C2)cnn1C ZINC000382511220 993462808 /nfs/dbraw/zinc/46/28/08/993462808.db2.gz YXMLSPKRKBSANE-GFCCVEGCSA-N 2 1 236.363 1.289 20 0 BDADMP CC[C@](C)(C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)OC ZINC001576949920 993464186 /nfs/dbraw/zinc/46/41/86/993464186.db2.gz VYAAFNREJQYHDM-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@@](C)(C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)OC ZINC001576949593 993464354 /nfs/dbraw/zinc/46/43/54/993464354.db2.gz MKRSPBDJJPSNLQ-RHYQMDGZSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@](C)(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)OC ZINC001576949798 993465977 /nfs/dbraw/zinc/46/59/77/993465977.db2.gz QPUMIRZCUKQKHB-DTWKUNHWSA-N 2 1 242.285 1.671 20 0 BDADMP CC[C@H](C)[C@@H](C[N@H+](C)CC(C)(C)[NH3+])OC ZINC001576960496 993466500 /nfs/dbraw/zinc/46/65/00/993466500.db2.gz FAQFWBXPFNTDHY-WDEREUQCSA-N 2 1 216.369 1.717 20 0 BDADMP CC[C@H](C)[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])OC ZINC001576960496 993466505 /nfs/dbraw/zinc/46/65/05/993466505.db2.gz FAQFWBXPFNTDHY-WDEREUQCSA-N 2 1 216.369 1.717 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@H+](C)CC(C)(C)[NH3+])OC ZINC001576960491 993467305 /nfs/dbraw/zinc/46/73/05/993467305.db2.gz FAQFWBXPFNTDHY-GHMZBOCLSA-N 2 1 216.369 1.717 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])OC ZINC001576960491 993467311 /nfs/dbraw/zinc/46/73/11/993467311.db2.gz FAQFWBXPFNTDHY-GHMZBOCLSA-N 2 1 216.369 1.717 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001576959807 993467719 /nfs/dbraw/zinc/46/77/19/993467719.db2.gz HZAGKLRULGIKBM-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001576959806 993468495 /nfs/dbraw/zinc/46/84/95/993468495.db2.gz HZAGKLRULGIKBM-MJBXVCDLSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@H](C)[N@H+](CC(=O)OC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996725 993482921 /nfs/dbraw/zinc/48/29/21/993482921.db2.gz WIYBPXFHELPBQC-SDDRHHMPSA-N 2 1 242.363 1.387 20 0 BDADMP C[N@@H+](CC1CC(F)(F)C1)CC1CC[NH2+]CC1 ZINC000383201265 993484722 /nfs/dbraw/zinc/48/47/22/993484722.db2.gz WUZZISUWDROLPC-UHFFFAOYSA-N 2 1 232.318 1.963 20 0 BDADMP CCC(CC)(C[NH3+])C[NH2+][C@@H](C)CN(C)C ZINC001577052408 993488855 /nfs/dbraw/zinc/48/88/55/993488855.db2.gz SCXYWFWLGDDNSL-NSHDSACASA-N 2 1 215.385 1.291 20 0 BDADMP CC[C@H]([NH2+]CCC1C[NH2+]C1)c1noc(C)n1 ZINC001577175520 993531915 /nfs/dbraw/zinc/53/19/15/993531915.db2.gz ATMHBPOTZLQOHE-JTQLQIEISA-N 2 1 224.308 1.028 20 0 BDADMP CC[C@H]1C[N@@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC001577280109 993581172 /nfs/dbraw/zinc/58/11/72/993581172.db2.gz XOTCNUPECYKTET-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@H]1CN(C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001577280109 993581181 /nfs/dbraw/zinc/58/11/81/993581181.db2.gz XOTCNUPECYKTET-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@H]1CN(C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001577280109 993581198 /nfs/dbraw/zinc/58/11/98/993581198.db2.gz XOTCNUPECYKTET-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001577328612 993596574 /nfs/dbraw/zinc/59/65/74/993596574.db2.gz UGEBTIWZEXQEMH-DGCLKSJQSA-N 2 1 241.379 1.057 20 0 BDADMP CCC[C@@H](O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001577370365 993628919 /nfs/dbraw/zinc/62/89/19/993628919.db2.gz YXPUCMUFBOSCLI-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP c1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000385271849 993656642 /nfs/dbraw/zinc/65/66/42/993656642.db2.gz FZWDYRJHJARKBN-UHFFFAOYSA-N 2 1 245.370 1.841 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001577444875 993658819 /nfs/dbraw/zinc/65/88/19/993658819.db2.gz HKDIGEMHYABWTE-WOPDTQHZSA-N 2 1 243.395 1.206 20 0 BDADMP CCCC[N@H+]1CCCC[C@H]1CNCC(C)(C)[NH3+] ZINC001577457804 993668777 /nfs/dbraw/zinc/66/87/77/993668777.db2.gz GDBHENRDPRXFOE-ZDUSSCGKSA-N 2 1 241.423 1.968 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001577510513 993668976 /nfs/dbraw/zinc/66/89/76/993668976.db2.gz QHGJQGFXTNTCLA-RDBSUJKOSA-N 2 1 241.423 1.837 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC001577510323 993677464 /nfs/dbraw/zinc/67/74/64/993677464.db2.gz KFTDRRVJXOJXFQ-NEPJUHHUSA-N 2 1 243.395 1.079 20 0 BDADMP CCN(C)[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001577654775 993707552 /nfs/dbraw/zinc/70/75/52/993707552.db2.gz HDTJDOUTHXBACV-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+](C)[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC001577654775 993707563 /nfs/dbraw/zinc/70/75/63/993707563.db2.gz HDTJDOUTHXBACV-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC001577654775 993707573 /nfs/dbraw/zinc/70/75/73/993707573.db2.gz HDTJDOUTHXBACV-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000393219474 993913541 /nfs/dbraw/zinc/91/35/41/993913541.db2.gz SSDZUVOLGZGEGB-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)o1 ZINC001332399438 994078907 /nfs/dbraw/zinc/07/89/07/994078907.db2.gz COXQLATXXKCNEU-GHMZBOCLSA-N 2 1 237.347 1.979 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040229 995531269 /nfs/dbraw/zinc/53/12/69/995531269.db2.gz KLOLVBQWNACVRO-AGIUHOORSA-N 2 1 249.358 1.361 20 0 BDADMP CCC(CC)(C[NH2+]C1CC[NH+](C)CC1)OC ZINC000309201448 168325385 /nfs/dbraw/zinc/32/53/85/168325385.db2.gz BNVZXAICPVBTGE-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H](CCO)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000649869706 398155457 /nfs/dbraw/zinc/15/54/57/398155457.db2.gz KJFLMZISFSGHIS-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](CCO)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000649869706 398155459 /nfs/dbraw/zinc/15/54/59/398155459.db2.gz KJFLMZISFSGHIS-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](CCO)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000649869706 398155460 /nfs/dbraw/zinc/15/54/60/398155460.db2.gz KJFLMZISFSGHIS-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422939377 398158362 /nfs/dbraw/zinc/15/83/62/398158362.db2.gz RGNBDCUZVZNROR-AEJSXWLSSA-N 2 1 202.367 1.326 20 0 BDADMP CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000385507355 398168304 /nfs/dbraw/zinc/16/83/04/398168304.db2.gz RARWJQRSYNZNHR-MRVWCRGKSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000385507355 398168307 /nfs/dbraw/zinc/16/83/07/398168307.db2.gz RARWJQRSYNZNHR-MRVWCRGKSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[N@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000649374120 398183190 /nfs/dbraw/zinc/18/31/90/398183190.db2.gz XCXKXFGGUAAKDP-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP C[N@@H+](CCc1cn[nH]c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000380017736 398181453 /nfs/dbraw/zinc/18/14/53/398181453.db2.gz CUWLGHQIFBVWPN-FUNVUKJBSA-N 2 1 234.347 1.167 20 0 BDADMP CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422976746 398161421 /nfs/dbraw/zinc/16/14/21/398161421.db2.gz IXLINWAGASNMSG-DDHJBXDOSA-N 2 1 246.420 1.219 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423020284 398162604 /nfs/dbraw/zinc/16/26/04/398162604.db2.gz ZSGXJDIITXAIEN-MISXGVKJSA-N 2 1 249.358 1.960 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)CO)CC[N@H+]1C ZINC000385933743 398192511 /nfs/dbraw/zinc/19/25/11/398192511.db2.gz VEKVLMDVKBALBL-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000385956368 398193024 /nfs/dbraw/zinc/19/30/24/398193024.db2.gz DNZAVBPGNZRGEJ-VEGXAWMVSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]([NH2+]CC(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000386626220 398214030 /nfs/dbraw/zinc/21/40/30/398214030.db2.gz ZBDMYHPOXFSAOJ-MNOVXSKESA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000381009220 398218334 /nfs/dbraw/zinc/21/83/34/398218334.db2.gz ROPPZXNOPPVMRA-PWSUYJOCSA-N 2 1 222.336 1.011 20 0 BDADMP CCCC[N@H+](CCCO)CCn1cc[nH+]c1C ZINC000342314331 136222827 /nfs/dbraw/zinc/22/28/27/136222827.db2.gz ZCGSNLQPGHFDSM-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP CCCC[N@@H+](CCCO)CCn1cc[nH+]c1C ZINC000342314331 136222828 /nfs/dbraw/zinc/22/28/28/136222828.db2.gz ZCGSNLQPGHFDSM-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP Cc1cc(NC[C@H](C)[NH+](C)C)nc(C)[nH+]1 ZINC000037988020 178169221 /nfs/dbraw/zinc/16/92/21/178169221.db2.gz UQQODKGCGWRINF-VIFPVBQESA-N 2 1 208.309 1.455 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431104134 398234919 /nfs/dbraw/zinc/23/49/19/398234919.db2.gz FIZISLZBTGYYCQ-RKDXNWHRSA-N 2 1 238.335 1.636 20 0 BDADMP CCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000092630160 398235819 /nfs/dbraw/zinc/23/58/19/398235819.db2.gz WIMMSFWAPMHUPL-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000229539075 538939474 /nfs/dbraw/zinc/93/94/74/538939474.db2.gz KBXISIOZTSHBLY-AAEUAGOBSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000229539075 538939476 /nfs/dbraw/zinc/93/94/76/538939476.db2.gz KBXISIOZTSHBLY-AAEUAGOBSA-N 2 1 225.380 1.153 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000390816896 398250331 /nfs/dbraw/zinc/25/03/31/398250331.db2.gz MYTXWSOALJDKHS-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000390816896 398250332 /nfs/dbraw/zinc/25/03/32/398250332.db2.gz MYTXWSOALJDKHS-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP CCC(CC)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000381357037 398254215 /nfs/dbraw/zinc/25/42/15/398254215.db2.gz CZBKRIGKTYNGQH-UHFFFAOYSA-N 2 1 214.353 1.615 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000381337601 398252672 /nfs/dbraw/zinc/25/26/72/398252672.db2.gz AUEJXUFGEUESIB-MELADBBJSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)nc(C)[nH+]1 ZINC000083119095 349562542 /nfs/dbraw/zinc/56/25/42/349562542.db2.gz GGFWUYNKYAJUTC-UWVGGRQHSA-N 2 1 220.320 1.280 20 0 BDADMP CCC(CC)[N@@H+](CCC[NH3+])CCOC ZINC000042614254 168372259 /nfs/dbraw/zinc/37/22/59/168372259.db2.gz PQGLISWUBIMHSQ-UHFFFAOYSA-N 2 1 202.342 1.472 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180155354 538957395 /nfs/dbraw/zinc/95/73/95/538957395.db2.gz KWZYMDKSFGCKAN-CMPLNLGQSA-N 2 1 236.363 1.711 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000180459786 538958539 /nfs/dbraw/zinc/95/85/39/538958539.db2.gz MQZDCXRYSXHIDS-JTQLQIEISA-N 2 1 236.363 1.711 20 0 BDADMP Cc1cc(NC[C@H]2CCCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000624536205 344001114 /nfs/dbraw/zinc/00/11/14/344001114.db2.gz IWDUSBBJGAPSIB-CYBMUJFWSA-N 2 1 248.374 1.659 20 0 BDADMP Cc1cc(NC[C@H]2CCCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000624536205 344001115 /nfs/dbraw/zinc/00/11/15/344001115.db2.gz IWDUSBBJGAPSIB-CYBMUJFWSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000583329757 342696803 /nfs/dbraw/zinc/69/68/03/342696803.db2.gz ANYQKHIJAVRJHR-ZWNOBZJWSA-N 2 1 244.342 1.875 20 0 BDADMP Cc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000624536206 344001302 /nfs/dbraw/zinc/00/13/02/344001302.db2.gz IWDUSBBJGAPSIB-ZDUSSCGKSA-N 2 1 248.374 1.659 20 0 BDADMP Cc1cc(NC[C@@H]2CCCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000624536206 344001303 /nfs/dbraw/zinc/00/13/03/344001303.db2.gz IWDUSBBJGAPSIB-ZDUSSCGKSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000335609803 136236595 /nfs/dbraw/zinc/23/65/95/136236595.db2.gz IGMWHTDZABWIDP-WCBMZHEXSA-N 2 1 218.291 1.619 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838148 398284099 /nfs/dbraw/zinc/28/40/99/398284099.db2.gz JOGYLPHSCQKIFH-IJLUTSLNSA-N 2 1 219.332 1.669 20 0 BDADMP C[C@H]([NH2+]Cc1ccn[nH]1)C1CC[NH+](C)CC1 ZINC000041014952 538974157 /nfs/dbraw/zinc/97/41/57/538974157.db2.gz OODFARVKYIBBPK-JTQLQIEISA-N 2 1 222.336 1.230 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCCO1)C2 ZINC000382493516 361950683 /nfs/dbraw/zinc/95/06/83/361950683.db2.gz OCNXGWYRISNXKY-MJBXVCDLSA-N 2 1 238.375 1.616 20 0 BDADMP Cc1ccnc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000390554297 539026116 /nfs/dbraw/zinc/02/61/16/539026116.db2.gz PUTMXBHIQNMJBC-VXGBXAGGSA-N 2 1 217.316 1.041 20 0 BDADMP C[NH+](C)[C@H]1CCCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649506087 398299718 /nfs/dbraw/zinc/29/97/18/398299718.db2.gz ATTILOFUSSKPID-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000389206767 398306348 /nfs/dbraw/zinc/30/63/48/398306348.db2.gz ZWWHCZLTSGVBCP-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000389206767 398306351 /nfs/dbraw/zinc/30/63/51/398306351.db2.gz ZWWHCZLTSGVBCP-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000389206767 398306354 /nfs/dbraw/zinc/30/63/54/398306354.db2.gz ZWWHCZLTSGVBCP-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000389206767 398306356 /nfs/dbraw/zinc/30/63/56/398306356.db2.gz ZWWHCZLTSGVBCP-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000389206767 398306358 /nfs/dbraw/zinc/30/63/58/398306358.db2.gz ZWWHCZLTSGVBCP-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000392271922 398316919 /nfs/dbraw/zinc/31/69/19/398316919.db2.gz VDOMDHGBYBTKDO-JQWIXIFHSA-N 2 1 226.389 1.732 20 0 BDADMP CCC(CC)[N@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000584002236 342899717 /nfs/dbraw/zinc/89/97/17/342899717.db2.gz QLLHXJFMJBWTLV-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000584002236 342899719 /nfs/dbraw/zinc/89/97/19/342899719.db2.gz QLLHXJFMJBWTLV-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[NH+](C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000584002236 342899720 /nfs/dbraw/zinc/89/97/20/342899720.db2.gz QLLHXJFMJBWTLV-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000584002236 342899722 /nfs/dbraw/zinc/89/97/22/342899722.db2.gz QLLHXJFMJBWTLV-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381266253 398326209 /nfs/dbraw/zinc/32/62/09/398326209.db2.gz UETXPGHJHXPRMT-AAEUAGOBSA-N 2 1 228.380 1.610 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381266253 398326206 /nfs/dbraw/zinc/32/62/06/398326206.db2.gz UETXPGHJHXPRMT-AAEUAGOBSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000358146544 398339151 /nfs/dbraw/zinc/33/91/51/398339151.db2.gz DGEAGZFKWBANNC-XDQVBPFNSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000335424777 398341376 /nfs/dbraw/zinc/34/13/76/398341376.db2.gz IMZBHIPUXYWQGA-ZYHUDNBSSA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000308853878 259340385 /nfs/dbraw/zinc/34/03/85/259340385.db2.gz NOEDKIAXBLROIR-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000308853878 259340387 /nfs/dbraw/zinc/34/03/87/259340387.db2.gz NOEDKIAXBLROIR-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000308853878 259340389 /nfs/dbraw/zinc/34/03/89/259340389.db2.gz NOEDKIAXBLROIR-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000308853878 259340391 /nfs/dbraw/zinc/34/03/91/259340391.db2.gz NOEDKIAXBLROIR-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CCCC[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000308880124 259340848 /nfs/dbraw/zinc/34/08/48/259340848.db2.gz VKPJZZHREDGAKS-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP CCCC[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000308880124 259340849 /nfs/dbraw/zinc/34/08/49/259340849.db2.gz VKPJZZHREDGAKS-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP CCCC[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000308880124 259340851 /nfs/dbraw/zinc/34/08/51/259340851.db2.gz VKPJZZHREDGAKS-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP CCCC[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000308880124 259340853 /nfs/dbraw/zinc/34/08/53/259340853.db2.gz VKPJZZHREDGAKS-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@@H]1CCOC1 ZINC000235291366 259343296 /nfs/dbraw/zinc/34/32/96/259343296.db2.gz DLPNGUFMUNWONJ-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235443726 343037466 /nfs/dbraw/zinc/03/74/66/343037466.db2.gz GFYIUXJNJLSTRS-NEPJUHHUSA-N 2 1 222.332 1.942 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000124526431 343162560 /nfs/dbraw/zinc/16/25/60/343162560.db2.gz WXYQMFJHQZTXEE-GWCFXTLKSA-N 2 1 247.342 1.097 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000576976296 365739607 /nfs/dbraw/zinc/73/96/07/365739607.db2.gz UUQAXQGWLAHTGG-WCQYABFASA-N 2 1 236.363 1.681 20 0 BDADMP Cc1ncsc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082776944 136277102 /nfs/dbraw/zinc/27/71/02/136277102.db2.gz ZUUGBSWRCNUKOP-PHIMTYICSA-N 2 1 237.372 1.145 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(O)c1 ZINC000168849589 343210568 /nfs/dbraw/zinc/21/05/68/343210568.db2.gz MODTZMYBIHXRTG-PWSUYJOCSA-N 2 1 220.316 1.704 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(O)c1 ZINC000168849589 343210570 /nfs/dbraw/zinc/21/05/70/343210570.db2.gz MODTZMYBIHXRTG-PWSUYJOCSA-N 2 1 220.316 1.704 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000348757895 136297394 /nfs/dbraw/zinc/29/73/94/136297394.db2.gz YZSWXPLHWHAWAU-CYBMUJFWSA-N 2 1 236.363 1.252 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000348757895 136297395 /nfs/dbraw/zinc/29/73/95/136297395.db2.gz YZSWXPLHWHAWAU-CYBMUJFWSA-N 3 1 236.363 1.252 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000348757895 136297396 /nfs/dbraw/zinc/29/73/96/136297396.db2.gz YZSWXPLHWHAWAU-CYBMUJFWSA-N 3 1 236.363 1.252 20 0 BDADMP CC(C)[N@@H+](CCOCC[NH3+])Cc1ccccn1 ZINC000310166908 343358168 /nfs/dbraw/zinc/35/81/68/343358168.db2.gz OCIJZNYTHIDWGO-UHFFFAOYSA-N 2 1 237.347 1.267 20 0 BDADMP c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000335636019 136300564 /nfs/dbraw/zinc/30/05/64/136300564.db2.gz SYTYKEJGYILEHP-KGLIPLIRSA-N 2 1 245.370 1.903 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335634668 136300608 /nfs/dbraw/zinc/30/06/08/136300608.db2.gz GWMXJXYFZKIIQG-IAQYHMDHSA-N 2 1 230.355 1.741 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335637928 136302808 /nfs/dbraw/zinc/30/28/08/136302808.db2.gz YSSXQUBMHDQEQO-QWHCGFSZSA-N 2 1 248.374 1.242 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000166219216 136310213 /nfs/dbraw/zinc/31/02/13/136310213.db2.gz IHLNRMZRNTYSIZ-SCZZXKLOSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000166219216 136310214 /nfs/dbraw/zinc/31/02/14/136310214.db2.gz IHLNRMZRNTYSIZ-SCZZXKLOSA-N 2 1 225.361 1.621 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000166229982 136314940 /nfs/dbraw/zinc/31/49/40/136314940.db2.gz AXZIYVHNZSKATD-GHMZBOCLSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000166230205 136315265 /nfs/dbraw/zinc/31/52/65/136315265.db2.gz AXZIYVHNZSKATD-MNOVXSKESA-N 2 1 222.307 1.995 20 0 BDADMP Cc1cnc(C[N@H+](C)CCCn2ccnc2)n1C ZINC000349407558 136344672 /nfs/dbraw/zinc/34/46/72/136344672.db2.gz OEJZCBSVNVAVIL-UHFFFAOYSA-N 2 1 247.346 1.447 20 0 BDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000166370209 136352320 /nfs/dbraw/zinc/35/23/20/136352320.db2.gz MEUXJKOCCJVNPM-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335714710 136338905 /nfs/dbraw/zinc/33/89/05/136338905.db2.gz KAOGEHBDOFFULL-AWEZNQCLSA-N 2 1 231.343 1.922 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000308922966 346941696 /nfs/dbraw/zinc/94/16/96/346941696.db2.gz CNQJUFANCFXQMU-SNVBAGLBSA-N 2 1 200.301 1.549 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000335888550 136358514 /nfs/dbraw/zinc/35/85/14/136358514.db2.gz ODUNUXPHZAGWJY-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000335888550 136358515 /nfs/dbraw/zinc/35/85/15/136358515.db2.gz ODUNUXPHZAGWJY-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP CO[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000167126027 136368417 /nfs/dbraw/zinc/36/84/17/136368417.db2.gz SIUSUDKEISOSDJ-GRYCIOLGSA-N 2 1 212.337 1.238 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@H](C)C1 ZINC000247983821 136373508 /nfs/dbraw/zinc/37/35/08/136373508.db2.gz IQCAWIRCGCJZGF-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000577010261 365757016 /nfs/dbraw/zinc/75/70/16/365757016.db2.gz JIEYQFLLNLUMFG-CHWSQXEVSA-N 2 1 249.358 1.779 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000044500610 343504297 /nfs/dbraw/zinc/50/42/97/343504297.db2.gz JGYSYZXSKHNGMC-GHMZBOCLSA-N 2 1 224.352 1.411 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH3+])cc1 ZINC000518770279 259365964 /nfs/dbraw/zinc/36/59/64/259365964.db2.gz OZUDMPIOVUDNLB-WFASDCNBSA-N 2 1 247.386 1.766 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H](C)C1 ZINC000624257618 343620151 /nfs/dbraw/zinc/62/01/51/343620151.db2.gz KMIKIVDLTZEVCS-AAEUAGOBSA-N 2 1 249.358 1.607 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1scnc1C ZINC000086070723 343610687 /nfs/dbraw/zinc/61/06/87/343610687.db2.gz OUADRRSEIJTUNW-MRVPVSSYSA-N 2 1 213.350 1.397 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000382837310 343654866 /nfs/dbraw/zinc/65/48/66/343654866.db2.gz PYUYXZDUCSAYOS-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538481 537805406 /nfs/dbraw/zinc/80/54/06/537805406.db2.gz SVVJTLMQVXFJPC-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CCCNc1cc(NC)[nH+]cn1 ZINC000128523726 343787383 /nfs/dbraw/zinc/78/73/83/343787383.db2.gz DUTNSZRYFAVEMZ-UHFFFAOYSA-N 2 1 237.351 1.662 20 0 BDADMP CC[NH+](CC)CCCNc1cc(NC)nc[nH+]1 ZINC000128523726 343787385 /nfs/dbraw/zinc/78/73/85/343787385.db2.gz DUTNSZRYFAVEMZ-UHFFFAOYSA-N 2 1 237.351 1.662 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000179247722 346978212 /nfs/dbraw/zinc/97/82/12/346978212.db2.gz HTLFEPKSNCURGM-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000179247722 346978217 /nfs/dbraw/zinc/97/82/17/346978217.db2.gz HTLFEPKSNCURGM-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000179247722 346978219 /nfs/dbraw/zinc/97/82/19/346978219.db2.gz HTLFEPKSNCURGM-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000082862875 133506928 /nfs/dbraw/zinc/50/69/28/133506928.db2.gz ZXOCGVKHHBLKFP-YUMQZZPRSA-N 2 1 210.243 1.656 20 0 BDADMP CCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309203517 346991555 /nfs/dbraw/zinc/99/15/55/346991555.db2.gz RRDJVJNDLMTKPV-VXGBXAGGSA-N 2 1 214.353 1.221 20 0 BDADMP CCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309203517 346991559 /nfs/dbraw/zinc/99/15/59/346991559.db2.gz RRDJVJNDLMTKPV-VXGBXAGGSA-N 2 1 214.353 1.221 20 0 BDADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401864654 343916025 /nfs/dbraw/zinc/91/60/25/343916025.db2.gz ZICORGGVEXTSTB-UHFFFAOYSA-N 2 1 245.326 1.761 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733533 344113142 /nfs/dbraw/zinc/11/31/42/344113142.db2.gz HMUPIXVRVMAEJG-OLZOCXBDSA-N 2 1 241.423 1.585 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000634733773 344113844 /nfs/dbraw/zinc/11/38/44/344113844.db2.gz NMMCSQWLUKYSCJ-GFCCVEGCSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214330 344312790 /nfs/dbraw/zinc/31/27/90/344312790.db2.gz QFJPMOUPCFTOPQ-HZSPNIEDSA-N 2 1 239.407 1.720 20 0 BDADMP CSC[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000400115945 344320705 /nfs/dbraw/zinc/32/07/05/344320705.db2.gz JOSINHBWJIQZGV-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP COC(=O)CCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000600710534 344360902 /nfs/dbraw/zinc/36/09/02/344360902.db2.gz OKBXSMDQZAQZSK-AAEUAGOBSA-N 2 1 240.347 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000600710534 344360904 /nfs/dbraw/zinc/36/09/04/344360904.db2.gz OKBXSMDQZAQZSK-AAEUAGOBSA-N 2 1 240.347 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000600711823 344361831 /nfs/dbraw/zinc/36/18/31/344361831.db2.gz SQHRRBBENYDYAW-LBPRGKRZSA-N 2 1 228.336 1.000 20 0 BDADMP CC[C@@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000042681169 344461776 /nfs/dbraw/zinc/46/17/76/344461776.db2.gz PXEWAPNKYYIDIW-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000042681169 344461780 /nfs/dbraw/zinc/46/17/80/344461780.db2.gz PXEWAPNKYYIDIW-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045619728 344573265 /nfs/dbraw/zinc/57/32/65/344573265.db2.gz RVGMGHHPRCNSHL-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOc1ccccc1 ZINC000044421431 344540733 /nfs/dbraw/zinc/54/07/33/344540733.db2.gz UBMSNAGPGNISAF-UHFFFAOYSA-N 2 1 208.305 1.346 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000037621324 344553288 /nfs/dbraw/zinc/55/32/88/344553288.db2.gz OJJHAFAFIFAIBO-AAEUAGOBSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000037632025 344555695 /nfs/dbraw/zinc/55/56/95/344555695.db2.gz SOLOXYWSWPGIDM-UHFFFAOYSA-N 2 1 247.386 1.332 20 0 BDADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309421813 347058963 /nfs/dbraw/zinc/05/89/63/347058963.db2.gz ZUFBWMVIUIFAQB-QWHCGFSZSA-N 2 1 221.348 1.987 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000158323850 344597021 /nfs/dbraw/zinc/59/70/21/344597021.db2.gz KRIPSXDDAYIKFF-YPMHNXCESA-N 2 1 249.358 1.649 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000158323850 344597023 /nfs/dbraw/zinc/59/70/23/344597023.db2.gz KRIPSXDDAYIKFF-YPMHNXCESA-N 2 1 249.358 1.649 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336778927 537851993 /nfs/dbraw/zinc/85/19/93/537851993.db2.gz MSBGPXVBTLHSSC-AVGNSLFASA-N 2 1 227.396 1.256 20 0 BDADMP CN(C)c1nc(NC[C@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC000077490079 344821009 /nfs/dbraw/zinc/82/10/09/344821009.db2.gz XHSFEAKYGIVCEQ-LLVKDONJSA-N 2 1 249.362 1.295 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166317506 344854008 /nfs/dbraw/zinc/85/40/08/344854008.db2.gz WMABSQNIQCQQLA-MCIONIFRSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166317506 344854013 /nfs/dbraw/zinc/85/40/13/344854013.db2.gz WMABSQNIQCQQLA-MCIONIFRSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166317506 344854017 /nfs/dbraw/zinc/85/40/17/344854017.db2.gz WMABSQNIQCQQLA-MCIONIFRSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166317506 344854020 /nfs/dbraw/zinc/85/40/20/344854020.db2.gz WMABSQNIQCQQLA-MCIONIFRSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166317506 344854024 /nfs/dbraw/zinc/85/40/24/344854024.db2.gz WMABSQNIQCQQLA-MCIONIFRSA-N 2 1 237.391 1.297 20 0 BDADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000154261241 345022547 /nfs/dbraw/zinc/02/25/47/345022547.db2.gz WDUFQMYNGHBXIP-SWLSCSKDSA-N 2 1 248.370 1.494 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000154954669 345060751 /nfs/dbraw/zinc/06/07/51/345060751.db2.gz KLMXMCYBADNWOO-JSGCOSHPSA-N 2 1 248.370 1.865 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000359594411 345090706 /nfs/dbraw/zinc/09/07/06/345090706.db2.gz UAIXQRHKPYCGPB-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000359594411 345090707 /nfs/dbraw/zinc/09/07/07/345090707.db2.gz UAIXQRHKPYCGPB-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359594411 345090710 /nfs/dbraw/zinc/09/07/10/345090710.db2.gz UAIXQRHKPYCGPB-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000359594411 345090711 /nfs/dbraw/zinc/09/07/11/345090711.db2.gz UAIXQRHKPYCGPB-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359594411 345090714 /nfs/dbraw/zinc/09/07/14/345090714.db2.gz UAIXQRHKPYCGPB-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156058905 345122760 /nfs/dbraw/zinc/12/27/60/345122760.db2.gz QNPCSHOMKHONFJ-MGPQQGTHSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC000634991046 345174202 /nfs/dbraw/zinc/17/42/02/345174202.db2.gz NXWSPEQWVHFPEK-QWHCGFSZSA-N 3 1 227.396 1.149 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC000634991046 345174206 /nfs/dbraw/zinc/17/42/06/345174206.db2.gz NXWSPEQWVHFPEK-QWHCGFSZSA-N 3 1 227.396 1.149 20 0 BDADMP CCCCC[N@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634991583 345177738 /nfs/dbraw/zinc/17/77/38/345177738.db2.gz JXUAGASOPWVNOU-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP CCCCC[N@@H+](CCO)CC12CC(C1)C[NH2+]2 ZINC000634991583 345177740 /nfs/dbraw/zinc/17/77/40/345177740.db2.gz JXUAGASOPWVNOU-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)CC12CC(C1)C[NH2+]2 ZINC000634992126 345179896 /nfs/dbraw/zinc/17/98/96/345179896.db2.gz FELIANYGQOWJCX-IYXRBSQSSA-N 2 1 237.391 1.012 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000634995626 345185066 /nfs/dbraw/zinc/18/50/66/345185066.db2.gz KWKBMERRGNDNBM-QWHCGFSZSA-N 3 1 227.396 1.197 20 0 BDADMP COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000156269182 345143548 /nfs/dbraw/zinc/14/35/48/345143548.db2.gz IZWDYNJJDSKHRB-VXGBXAGGSA-N 2 1 249.358 1.663 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000156402201 345156174 /nfs/dbraw/zinc/15/61/74/345156174.db2.gz RWGIJINRHXGBFQ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000634997668 345193309 /nfs/dbraw/zinc/19/33/09/345193309.db2.gz QEWXQWOXVFHYQF-FRRDWIJNSA-N 3 1 225.380 1.031 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000634997668 345193310 /nfs/dbraw/zinc/19/33/10/345193310.db2.gz QEWXQWOXVFHYQF-FRRDWIJNSA-N 3 1 225.380 1.031 20 0 BDADMP COCC(C)(C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999390 345199361 /nfs/dbraw/zinc/19/93/61/345199361.db2.gz UBAFIQWGPWAOTP-GHMZBOCLSA-N 2 1 214.353 1.186 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999027 345199782 /nfs/dbraw/zinc/19/97/82/345199782.db2.gz PAVGVVYSIXBKHN-NWDGAFQWSA-N 2 1 236.363 1.491 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999027 345199783 /nfs/dbraw/zinc/19/97/83/345199783.db2.gz PAVGVVYSIXBKHN-NWDGAFQWSA-N 2 1 236.363 1.491 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1c[nH+]ccc1N ZINC000635005455 345209088 /nfs/dbraw/zinc/20/90/88/345209088.db2.gz NQCLSHMAQDKQTI-COMAGPEQSA-N 2 1 235.331 1.711 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000635009767 345211905 /nfs/dbraw/zinc/21/19/05/345211905.db2.gz ZIIBUGMLFQVTDU-FRRDWIJNSA-N 2 1 239.407 1.482 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000635012207 345214672 /nfs/dbraw/zinc/21/46/72/345214672.db2.gz JMXPTDVBKJYWGJ-LPBLVHEISA-N 2 1 208.227 1.135 20 0 BDADMP COc1ccccc1[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000080581983 345311331 /nfs/dbraw/zinc/31/13/31/345311331.db2.gz WYVDWJWJSZZPOI-GFCCVEGCSA-N 2 1 234.343 1.833 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cccn3)CC[C@@H]21 ZINC000158475013 345337663 /nfs/dbraw/zinc/33/76/63/345337663.db2.gz FUXRIEHIUMEXSR-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cccn3)CC[C@@H]21 ZINC000158475013 345337665 /nfs/dbraw/zinc/33/76/65/345337665.db2.gz FUXRIEHIUMEXSR-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cccn3)CC[C@@H]21 ZINC000158475013 345337668 /nfs/dbraw/zinc/33/76/68/345337668.db2.gz FUXRIEHIUMEXSR-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cccn3)CC[C@@H]21 ZINC000158475013 345337673 /nfs/dbraw/zinc/33/76/73/345337673.db2.gz FUXRIEHIUMEXSR-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCF)CC[C@@H]21 ZINC000158481517 345338642 /nfs/dbraw/zinc/33/86/42/345338642.db2.gz HEOIZCGOJGKGKD-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC000158481517 345338643 /nfs/dbraw/zinc/33/86/43/345338643.db2.gz HEOIZCGOJGKGKD-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC000158481517 345338645 /nfs/dbraw/zinc/33/86/45/345338645.db2.gz HEOIZCGOJGKGKD-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@H](CCn1cccn1)[NH2+]C1CC[NH+](C)CC1 ZINC000158586406 345352980 /nfs/dbraw/zinc/35/29/80/345352980.db2.gz OVYLEPJCSCLCTE-GFCCVEGCSA-N 2 1 236.363 1.346 20 0 BDADMP CC[C@@H]1CCCCC[N@H+]1CCOCC[NH3+] ZINC000134366649 345410941 /nfs/dbraw/zinc/41/09/41/345410941.db2.gz PLSITGOZTNUQRT-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CN(C)c1cc[nH+]c(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000091483080 345594731 /nfs/dbraw/zinc/59/47/31/345594731.db2.gz ZLEUABXKYRYZFJ-LLVKDONJSA-N 2 1 249.362 1.296 20 0 BDADMP CN(C)c1cc[nH+]c(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000091483080 345594733 /nfs/dbraw/zinc/59/47/33/345594733.db2.gz ZLEUABXKYRYZFJ-LLVKDONJSA-N 2 1 249.362 1.296 20 0 BDADMP Cn1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043277 345614748 /nfs/dbraw/zinc/61/47/48/345614748.db2.gz XQOYRVLFHRWRTC-CABCVRRESA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043277 345614750 /nfs/dbraw/zinc/61/47/50/345614750.db2.gz XQOYRVLFHRWRTC-CABCVRRESA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043277 345614752 /nfs/dbraw/zinc/61/47/52/345614752.db2.gz XQOYRVLFHRWRTC-CABCVRRESA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043277 345614754 /nfs/dbraw/zinc/61/47/54/345614754.db2.gz XQOYRVLFHRWRTC-CABCVRRESA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043277 345614755 /nfs/dbraw/zinc/61/47/55/345614755.db2.gz XQOYRVLFHRWRTC-CABCVRRESA-N 2 1 247.386 1.941 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641700911 362611569 /nfs/dbraw/zinc/61/15/69/362611569.db2.gz KYMMDPYQQRSTLN-UHFFFAOYSA-N 2 1 248.330 1.310 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1ccncc1N ZINC000641701562 362613856 /nfs/dbraw/zinc/61/38/56/362613856.db2.gz VHVAXPYDHHKDJG-UHFFFAOYSA-N 2 1 236.363 1.485 20 0 BDADMP Nc1cnccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000641706190 362616006 /nfs/dbraw/zinc/61/60/06/362616006.db2.gz AJDBCYLGHVOIFS-UHFFFAOYSA-N 2 1 234.347 1.239 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000563153884 323096012 /nfs/dbraw/zinc/09/60/12/323096012.db2.gz GDFWRSRLPXMDLC-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP Fc1cc(C[NH2+]C2CC[NH2+]CC2)cc(F)c1F ZINC000139900113 345804333 /nfs/dbraw/zinc/80/43/33/345804333.db2.gz BYRBGIWEEPPFCO-UHFFFAOYSA-N 2 1 244.260 1.946 20 0 BDADMP C[C@H](C(=O)Nc1ccnc(N(C)C)c1)N(C)C ZINC000635649696 345927596 /nfs/dbraw/zinc/92/75/96/345927596.db2.gz SHEPZEDETWBJQN-SECBINFHSA-N 2 1 236.319 1.036 20 0 BDADMP C[N@H+]1CCCC[C@H](CNCc2ccncc2N)C1 ZINC000641773638 362713153 /nfs/dbraw/zinc/71/31/53/362713153.db2.gz JQCLABHQMWNVEM-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641773638 362713158 /nfs/dbraw/zinc/71/31/58/362713158.db2.gz JQCLABHQMWNVEM-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641773638 362713162 /nfs/dbraw/zinc/71/31/62/362713162.db2.gz JQCLABHQMWNVEM-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000380187527 346378008 /nfs/dbraw/zinc/37/80/08/346378008.db2.gz GZUOAPPULXCBTK-WDEREUQCSA-N 2 1 207.321 1.741 20 0 BDADMP C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000300369673 346433619 /nfs/dbraw/zinc/43/36/19/346433619.db2.gz ZRUHHLMXGSBVML-WOPDTQHZSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000300369673 346433621 /nfs/dbraw/zinc/43/36/21/346433621.db2.gz ZRUHHLMXGSBVML-WOPDTQHZSA-N 2 1 225.380 1.329 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000641799801 362749757 /nfs/dbraw/zinc/74/97/57/362749757.db2.gz ZSBKUCLCULMGHW-MWLCHTKSSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000641799801 362749763 /nfs/dbraw/zinc/74/97/63/362749763.db2.gz ZSBKUCLCULMGHW-MWLCHTKSSA-N 2 1 237.347 1.715 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CCc1cn[nH]c1)CC[NH2+]CC2 ZINC000641799741 362749936 /nfs/dbraw/zinc/74/99/36/362749936.db2.gz QRTOODRSKRTBKL-GFCCVEGCSA-N 2 1 248.374 1.416 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000334378619 346478048 /nfs/dbraw/zinc/47/80/48/346478048.db2.gz GVASBMAKWGQIKB-NWDGAFQWSA-N 2 1 214.328 1.951 20 0 BDADMP CCCN(CCc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC000641797031 362741650 /nfs/dbraw/zinc/74/16/50/362741650.db2.gz QDGFYYFHTBWPJW-ZDUSSCGKSA-N 2 1 236.363 1.037 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000641804065 362761422 /nfs/dbraw/zinc/76/14/22/362761422.db2.gz AJMNCJYMPIUZOI-XJFOESAGSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000641804065 362761429 /nfs/dbraw/zinc/76/14/29/362761429.db2.gz AJMNCJYMPIUZOI-XJFOESAGSA-N 2 1 239.407 1.434 20 0 BDADMP Cn1cncc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000641800709 362753266 /nfs/dbraw/zinc/75/32/66/362753266.db2.gz DFFBAXNFRPRBET-TZMCWYRMSA-N 2 1 248.374 1.037 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1CCOCC[NH3+] ZINC000641800950 362753397 /nfs/dbraw/zinc/75/33/97/362753397.db2.gz JSRXVSKVMLTLPP-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000641801968 362757727 /nfs/dbraw/zinc/75/77/27/362757727.db2.gz WPUBRBHCJNIEAK-QWRGUYRKSA-N 2 1 239.750 1.950 20 0 BDADMP CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)nc1 ZINC000641802116 362757886 /nfs/dbraw/zinc/75/78/86/362757886.db2.gz IDXQOXFBSRDRLB-STQMWFEESA-N 2 1 249.358 1.696 20 0 BDADMP COC[C@H](C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+])OC ZINC000641810424 362765632 /nfs/dbraw/zinc/76/56/32/362765632.db2.gz WVLAHTNOHYIYHN-CYDGBPFRSA-N 2 1 244.379 1.096 20 0 BDADMP COC[C@H](C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+])OC ZINC000641810424 362765634 /nfs/dbraw/zinc/76/56/34/362765634.db2.gz WVLAHTNOHYIYHN-CYDGBPFRSA-N 2 1 244.379 1.096 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H]1C ZINC000380044356 365825045 /nfs/dbraw/zinc/82/50/45/365825045.db2.gz VIWOEYCMDPOREB-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H]1C ZINC000380044356 365825051 /nfs/dbraw/zinc/82/50/51/365825051.db2.gz VIWOEYCMDPOREB-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000380044356 365825054 /nfs/dbraw/zinc/82/50/54/365825054.db2.gz VIWOEYCMDPOREB-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000380044356 365825059 /nfs/dbraw/zinc/82/50/59/365825059.db2.gz VIWOEYCMDPOREB-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP Cn1cncc1CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000641818362 362769286 /nfs/dbraw/zinc/76/92/86/362769286.db2.gz CKOLEEWZCKDKSM-JSGCOSHPSA-N 2 1 248.374 1.023 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCc2n[nH]cc21 ZINC000375854275 346566006 /nfs/dbraw/zinc/56/60/06/346566006.db2.gz SVHHMTRIDNAMGE-DGCLKSJQSA-N 2 1 248.374 1.861 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCCc2n[nH]cc21 ZINC000375854275 346566010 /nfs/dbraw/zinc/56/60/10/346566010.db2.gz SVHHMTRIDNAMGE-DGCLKSJQSA-N 2 1 248.374 1.861 20 0 BDADMP Cc1cccc(N2CC[C@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000162214966 179123657 /nfs/dbraw/zinc/12/36/57/179123657.db2.gz MXJVJLSFEVCABE-MNOVXSKESA-N 2 1 205.305 1.564 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC(C)CC1 ZINC000310523154 323132877 /nfs/dbraw/zinc/13/28/77/323132877.db2.gz MLAQYASITRXYHL-JXQTWKCFSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC(C)CC1 ZINC000310523154 323132878 /nfs/dbraw/zinc/13/28/78/323132878.db2.gz MLAQYASITRXYHL-JXQTWKCFSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC(C)CC1 ZINC000310523154 323132879 /nfs/dbraw/zinc/13/28/79/323132879.db2.gz MLAQYASITRXYHL-JXQTWKCFSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCC(C)CC1 ZINC000310523154 323132880 /nfs/dbraw/zinc/13/28/80/323132880.db2.gz MLAQYASITRXYHL-JXQTWKCFSA-N 2 1 242.407 1.810 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCOC1)C2 ZINC000622004326 370655707 /nfs/dbraw/zinc/65/57/07/370655707.db2.gz NKUHWALLMLFBER-AVGNSLFASA-N 2 1 224.348 1.226 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000250603037 537986769 /nfs/dbraw/zinc/98/67/69/537986769.db2.gz KOMYMQCDAUTKKJ-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250603037 537986775 /nfs/dbraw/zinc/98/67/75/537986775.db2.gz KOMYMQCDAUTKKJ-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250603037 537986780 /nfs/dbraw/zinc/98/67/80/537986780.db2.gz KOMYMQCDAUTKKJ-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250603037 537986783 /nfs/dbraw/zinc/98/67/83/537986783.db2.gz KOMYMQCDAUTKKJ-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250603037 537986790 /nfs/dbraw/zinc/98/67/90/537986790.db2.gz KOMYMQCDAUTKKJ-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000353440525 187372738 /nfs/dbraw/zinc/37/27/38/187372738.db2.gz KTYIPZNJUDBOOZ-MELADBBJSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353533241 187373164 /nfs/dbraw/zinc/37/31/64/187373164.db2.gz XVVNQXDNVQUUJE-RFQIPJPRSA-N 2 1 240.391 1.466 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250353207 362801113 /nfs/dbraw/zinc/80/11/13/362801113.db2.gz RQPXJFHZZYVFAI-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000250389671 362802629 /nfs/dbraw/zinc/80/26/29/362802629.db2.gz XYMOCFXISOBEHS-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000388445322 347409095 /nfs/dbraw/zinc/40/90/95/347409095.db2.gz HVNBAXAPSFVLJJ-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CC)CCCC1 ZINC000382573170 347364782 /nfs/dbraw/zinc/36/47/82/347364782.db2.gz SQGLUNIRSGNBMI-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000390578242 347396760 /nfs/dbraw/zinc/39/67/60/347396760.db2.gz WNGNMASAHNRPPR-KWQFWETISA-N 2 1 208.309 1.030 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000390578242 347396763 /nfs/dbraw/zinc/39/67/63/347396763.db2.gz WNGNMASAHNRPPR-KWQFWETISA-N 2 1 208.309 1.030 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252766714 347418016 /nfs/dbraw/zinc/41/80/16/347418016.db2.gz JEGXPSBYVOLSBK-TUAOUCFPSA-N 2 1 219.332 1.812 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)CC1(C)C ZINC000251114439 362838349 /nfs/dbraw/zinc/83/83/49/362838349.db2.gz CWIZESWBRKHWBX-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)[C@H]1C ZINC000380098832 365879780 /nfs/dbraw/zinc/87/97/80/365879780.db2.gz LBAZQCVOFADNTI-JFGNBEQYSA-N 2 1 207.321 1.597 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])O1 ZINC000149780591 347518167 /nfs/dbraw/zinc/51/81/67/347518167.db2.gz RDGPMMVRCIHPAD-GHMZBOCLSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCO)CC1 ZINC000590819062 347568894 /nfs/dbraw/zinc/56/88/94/347568894.db2.gz XOMLZAVUVHWDTE-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235374107 179277040 /nfs/dbraw/zinc/27/70/40/179277040.db2.gz URKCBNFTZWTUJP-YPMHNXCESA-N 2 1 204.317 1.774 20 0 BDADMP CC(C)C[C@H](CO)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000360495656 187381039 /nfs/dbraw/zinc/38/10/39/187381039.db2.gz MMJRAWZSWRTWPV-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[C@H](CO)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000360495656 187381041 /nfs/dbraw/zinc/38/10/41/187381041.db2.gz MMJRAWZSWRTWPV-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[C@H](CO)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000360495656 187381042 /nfs/dbraw/zinc/38/10/42/187381042.db2.gz MMJRAWZSWRTWPV-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP C[N@@H+](CCC(C)(C)O)C[C@@H]1CCC[NH+](C)C1 ZINC000360436470 187381192 /nfs/dbraw/zinc/38/11/92/187381192.db2.gz IVXUEQNTFZSKPY-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+](CCC(C)(C)O)C[C@@H]1CCC[N@H+](C)C1 ZINC000360436470 187381194 /nfs/dbraw/zinc/38/11/94/187381194.db2.gz IVXUEQNTFZSKPY-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+](CCC(C)(C)O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000360436470 187381196 /nfs/dbraw/zinc/38/11/96/187381196.db2.gz IVXUEQNTFZSKPY-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccncc1 ZINC000227730725 535065611 /nfs/dbraw/zinc/06/56/11/535065611.db2.gz WMAGSEJUSNXFBM-CYBMUJFWSA-N 2 1 221.348 1.887 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccncc1 ZINC000227730725 535065616 /nfs/dbraw/zinc/06/56/16/535065616.db2.gz WMAGSEJUSNXFBM-CYBMUJFWSA-N 2 1 221.348 1.887 20 0 BDADMP CC1(C)C[N@@H+](CCC[NH+]2CCCC2)CCCO1 ZINC000372375775 187386633 /nfs/dbraw/zinc/38/66/33/187386633.db2.gz LJPGAIHHIQYHTJ-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H](CSCCF)[NH2+]C1CC[NH+](C)CC1 ZINC000595004645 348170099 /nfs/dbraw/zinc/17/00/99/348170099.db2.gz QNJCXLLWBOOMLY-JTQLQIEISA-N 2 1 234.384 1.761 20 0 BDADMP Cc1cccnc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000162229526 179383811 /nfs/dbraw/zinc/38/38/11/179383811.db2.gz GSZWCEJFXMXPSD-GFCCVEGCSA-N 2 1 219.332 1.622 20 0 BDADMP CCc1cc(NC2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000045950876 490155949 /nfs/dbraw/zinc/15/59/49/490155949.db2.gz RBJWUYODYUTXNX-UHFFFAOYSA-N 2 1 220.320 1.511 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000251616481 362892391 /nfs/dbraw/zinc/89/23/91/362892391.db2.gz DFJDEWLDPOFHRD-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CC2)CC1(C)C ZINC000623497700 362921362 /nfs/dbraw/zinc/92/13/62/362921362.db2.gz URXBJOYNPKVAEA-GFCCVEGCSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1(C)C ZINC000623490288 362914701 /nfs/dbraw/zinc/91/47/01/362914701.db2.gz FARWJLQSHOGUDV-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)O)CC1(C)C ZINC000623496379 362920109 /nfs/dbraw/zinc/92/01/09/362920109.db2.gz SPNNRWNLMWSRAO-LLVKDONJSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H]1CSCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251710513 362900756 /nfs/dbraw/zinc/90/07/56/362900756.db2.gz JJIOIRDRJFWAGN-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000398566655 323186715 /nfs/dbraw/zinc/18/67/15/323186715.db2.gz DSOIASNLXATGBD-RFQIPJPRSA-N 2 1 242.407 1.856 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000069847310 490187188 /nfs/dbraw/zinc/18/71/88/490187188.db2.gz XRIOPKVWQDVYNI-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623507567 362931080 /nfs/dbraw/zinc/93/10/80/362931080.db2.gz QPTDUJDPJINFLC-FRRDWIJNSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCO)CC1(C)C ZINC000623509512 362933801 /nfs/dbraw/zinc/93/38/01/362933801.db2.gz FYBFVTMQAHSRQX-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP Cc1nc(C)c(C[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000399245250 323201566 /nfs/dbraw/zinc/20/15/66/323201566.db2.gz IFRAAFLHFOSHJC-JTQLQIEISA-N 2 1 225.361 1.587 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598971872 349069155 /nfs/dbraw/zinc/06/91/55/349069155.db2.gz HNVQZRDHULMOGO-UVWXRNBGSA-N 2 1 246.420 1.216 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598971872 349069160 /nfs/dbraw/zinc/06/91/60/349069160.db2.gz HNVQZRDHULMOGO-UVWXRNBGSA-N 2 1 246.420 1.216 20 0 BDADMP CC[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248373572 349126104 /nfs/dbraw/zinc/12/61/04/349126104.db2.gz JUPHVTGDGNHSMW-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H](O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000251056460 349181615 /nfs/dbraw/zinc/18/16/15/349181615.db2.gz PMUKTVCCRSVHJA-GJHMDTBVSA-N 2 1 226.364 1.361 20 0 BDADMP C[C@@H](O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000251056460 349181618 /nfs/dbraw/zinc/18/16/18/349181618.db2.gz PMUKTVCCRSVHJA-GJHMDTBVSA-N 2 1 226.364 1.361 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530221240 323218411 /nfs/dbraw/zinc/21/84/11/323218411.db2.gz PBJJWWVMUUZXHS-QWHCGFSZSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)CC1 ZINC000383641615 349229898 /nfs/dbraw/zinc/22/98/98/349229898.db2.gz ZXUITKBGTRERJP-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000383641615 349229902 /nfs/dbraw/zinc/22/99/02/349229902.db2.gz ZXUITKBGTRERJP-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000383641615 349229905 /nfs/dbraw/zinc/22/99/05/349229905.db2.gz ZXUITKBGTRERJP-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000070968178 350077346 /nfs/dbraw/zinc/07/73/46/350077346.db2.gz QPSATRDGNGMACF-VXGBXAGGSA-N 2 1 212.337 1.095 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000581661115 350039058 /nfs/dbraw/zinc/03/90/58/350039058.db2.gz MCWNXPHLWPSYCG-WHOHXGKFSA-N 2 1 212.337 1.413 20 0 BDADMP CC(C)COCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422632542 192431285 /nfs/dbraw/zinc/43/12/85/192431285.db2.gz GZPPCTSLARTNDT-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CC(C)(C)O ZINC000315093158 350182414 /nfs/dbraw/zinc/18/24/14/350182414.db2.gz OOOWPQHYMWPUEE-UHFFFAOYSA-N 2 1 225.336 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC(C)(C)O ZINC000315093158 350182418 /nfs/dbraw/zinc/18/24/18/350182418.db2.gz OOOWPQHYMWPUEE-UHFFFAOYSA-N 2 1 225.336 1.055 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357089570 180239169 /nfs/dbraw/zinc/23/91/69/180239169.db2.gz QDYRXJSOPPUTPU-KGLIPLIRSA-N 2 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357089570 180239171 /nfs/dbraw/zinc/23/91/71/180239171.db2.gz QDYRXJSOPPUTPU-KGLIPLIRSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357089570 180239174 /nfs/dbraw/zinc/23/91/74/180239174.db2.gz QDYRXJSOPPUTPU-KGLIPLIRSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)CO ZINC000305652054 180232537 /nfs/dbraw/zinc/23/25/37/180232537.db2.gz CIUDVYLPQODJHT-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)CO ZINC000305652054 180232539 /nfs/dbraw/zinc/23/25/39/180232539.db2.gz CIUDVYLPQODJHT-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCO1 ZINC000083528255 350237404 /nfs/dbraw/zinc/23/74/04/350237404.db2.gz LUNUTPOMGLQPCF-STQMWFEESA-N 2 1 226.364 1.759 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1(O)CCCC1 ZINC000125874403 180247349 /nfs/dbraw/zinc/24/73/49/180247349.db2.gz JWCHSIDBNIFFRI-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC1(O)CCCC1 ZINC000125874403 180247351 /nfs/dbraw/zinc/24/73/51/180247351.db2.gz JWCHSIDBNIFFRI-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000364784053 180247872 /nfs/dbraw/zinc/24/78/72/180247872.db2.gz KXVLXDFHRZDVIQ-ZIAGYGMSSA-N 2 1 249.358 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H](C)CO ZINC000273959330 180248121 /nfs/dbraw/zinc/24/81/21/180248121.db2.gz GFXLMWBQQNBXQP-WDEREUQCSA-N 2 1 225.336 1.188 20 0 BDADMP CCc1cc(N[C@@H](C)C[NH+](C)C)nc(C)[nH+]1 ZINC000130598488 490407566 /nfs/dbraw/zinc/40/75/66/490407566.db2.gz BSACAEGKWXMZQD-VIFPVBQESA-N 2 1 222.336 1.709 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)C(C)C ZINC000270660788 180241196 /nfs/dbraw/zinc/24/11/96/180241196.db2.gz QNLSWVVWRIDHIU-UHFFFAOYSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](CCO)C(C)C ZINC000270660788 180241197 /nfs/dbraw/zinc/24/11/97/180241197.db2.gz QNLSWVVWRIDHIU-UHFFFAOYSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cncc(F)c1 ZINC000337950060 180243519 /nfs/dbraw/zinc/24/35/19/180243519.db2.gz NUXSVJVGNJJASU-UHFFFAOYSA-N 2 1 248.305 1.906 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)c1ccccc1 ZINC000063001637 180262154 /nfs/dbraw/zinc/26/21/54/180262154.db2.gz QNMYNYJXPJPPTO-CQSZACIVSA-N 2 1 245.326 1.515 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncc[nH]1 ZINC000066593980 180265847 /nfs/dbraw/zinc/26/58/47/180265847.db2.gz SCIOAMLHRHEQSJ-JTQLQIEISA-N 2 1 233.319 1.341 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nccnc1C ZINC000275881964 180282140 /nfs/dbraw/zinc/28/21/40/180282140.db2.gz PHLYJPSWKWKKIR-LLVKDONJSA-N 2 1 245.330 1.641 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609659 350330752 /nfs/dbraw/zinc/33/07/52/350330752.db2.gz HIAGPPAMAFRAHG-UWVGGRQHSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224609659 350330755 /nfs/dbraw/zinc/33/07/55/350330755.db2.gz HIAGPPAMAFRAHG-UWVGGRQHSA-N 2 1 200.351 1.163 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050285441 180310096 /nfs/dbraw/zinc/31/00/96/180310096.db2.gz SUGCGKQPQXACSW-JTQLQIEISA-N 2 1 225.361 1.275 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000328166086 350377119 /nfs/dbraw/zinc/37/71/19/350377119.db2.gz IXJMVKMMLOXKKG-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CC[NH+]1CCC([NH2+][C@](C)(CC)CO)CC1 ZINC000336642430 350413433 /nfs/dbraw/zinc/41/34/33/350413433.db2.gz VPYKPYXAFKWVJV-GFCCVEGCSA-N 2 1 214.353 1.221 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271933831 180339660 /nfs/dbraw/zinc/33/96/60/180339660.db2.gz XJMCVPRJJJEDMY-UHFFFAOYSA-N 2 1 248.374 1.388 20 0 BDADMP Cc1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc[nH+]1 ZINC000162799263 350431327 /nfs/dbraw/zinc/43/13/27/350431327.db2.gz MIOCBLFRQGXEHJ-ZIAGYGMSSA-N 2 1 247.342 1.665 20 0 BDADMP C[C@H](O)[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000162879290 350452007 /nfs/dbraw/zinc/45/20/07/350452007.db2.gz WLLQAXFACSVMHP-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000162879290 350452009 /nfs/dbraw/zinc/45/20/09/350452009.db2.gz WLLQAXFACSVMHP-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000336696147 350452063 /nfs/dbraw/zinc/45/20/63/350452063.db2.gz QGQMPMSAAGYZKI-OCCSQVGLSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000336696147 350452065 /nfs/dbraw/zinc/45/20/65/350452065.db2.gz QGQMPMSAAGYZKI-OCCSQVGLSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000163470257 350519706 /nfs/dbraw/zinc/51/97/06/350519706.db2.gz UEQPTYYBLUSAAR-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP CC(C)SCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400654462 362963504 /nfs/dbraw/zinc/96/35/04/362963504.db2.gz QQHSSVQFMCTHLR-MNOVXSKESA-N 2 1 216.394 1.858 20 0 BDADMP Cn1c2ccccc2[nH+]c1NCCCC[NH3+] ZINC000070609083 350547752 /nfs/dbraw/zinc/54/77/52/350547752.db2.gz FTBFYBKCNXJVJK-UHFFFAOYSA-N 2 1 218.304 1.724 20 0 BDADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623551744 362971932 /nfs/dbraw/zinc/97/19/32/362971932.db2.gz GBUJXXQAAPISIR-GFCCVEGCSA-N 2 1 239.407 1.543 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623551744 362971938 /nfs/dbraw/zinc/97/19/38/362971938.db2.gz GBUJXXQAAPISIR-GFCCVEGCSA-N 2 1 239.407 1.543 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623551744 362971942 /nfs/dbraw/zinc/97/19/42/362971942.db2.gz GBUJXXQAAPISIR-GFCCVEGCSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000422794609 192471563 /nfs/dbraw/zinc/47/15/63/192471563.db2.gz ZELZGUFADJCKOS-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000250363053 350879748 /nfs/dbraw/zinc/87/97/48/350879748.db2.gz UHNURHIVYYERQM-RWMBFGLXSA-N 2 1 225.380 1.330 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000250363053 350879750 /nfs/dbraw/zinc/87/97/50/350879750.db2.gz UHNURHIVYYERQM-RWMBFGLXSA-N 2 1 225.380 1.330 20 0 BDADMP CS[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000382859183 351057678 /nfs/dbraw/zinc/05/76/78/351057678.db2.gz APKMUDJNLANWHX-VXGBXAGGSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000382859183 351057681 /nfs/dbraw/zinc/05/76/81/351057681.db2.gz APKMUDJNLANWHX-VXGBXAGGSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000382859183 351057684 /nfs/dbraw/zinc/05/76/84/351057684.db2.gz APKMUDJNLANWHX-VXGBXAGGSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000382859183 351057688 /nfs/dbraw/zinc/05/76/88/351057688.db2.gz APKMUDJNLANWHX-VXGBXAGGSA-N 2 1 246.420 1.125 20 0 BDADMP CC1(C)COC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000313006219 351062054 /nfs/dbraw/zinc/06/20/54/351062054.db2.gz QOHHDEAKNZHUCF-CYBMUJFWSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261976826 535158320 /nfs/dbraw/zinc/15/83/20/535158320.db2.gz RDGIDUNLVUMRFF-UPJWGTAASA-N 2 1 238.375 1.533 20 0 BDADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000404897708 363071607 /nfs/dbraw/zinc/07/16/07/363071607.db2.gz HMPINXKTNGHOOV-ZFWWWQNUSA-N 2 1 247.386 1.862 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000177988670 366074579 /nfs/dbraw/zinc/07/45/79/366074579.db2.gz SJTKTYZMSHJLBR-LBPRGKRZSA-N 2 1 240.347 1.899 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000177988670 366074585 /nfs/dbraw/zinc/07/45/85/366074585.db2.gz SJTKTYZMSHJLBR-LBPRGKRZSA-N 2 1 240.347 1.899 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH2+]CC ZINC000638280207 352118151 /nfs/dbraw/zinc/11/81/51/352118151.db2.gz AKGBIQRHQHKFFU-RYUDHWBXSA-N 2 1 243.395 1.221 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638280385 352116216 /nfs/dbraw/zinc/11/62/16/352116216.db2.gz FCQAYJLLNHYZTG-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638280385 352116218 /nfs/dbraw/zinc/11/62/18/352116218.db2.gz FCQAYJLLNHYZTG-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638410250 352217384 /nfs/dbraw/zinc/21/73/84/352217384.db2.gz YIISTLAGQIPXGI-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1cnccn1 ZINC000638462475 352273835 /nfs/dbraw/zinc/27/38/35/352273835.db2.gz NPIPRGDKQAZMAA-LLVKDONJSA-N 2 1 245.330 1.202 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@H+]1C ZINC000252153053 363179588 /nfs/dbraw/zinc/17/95/88/363179588.db2.gz OUXZEPNDYLYBML-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP CCOC1CC(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000638588814 352420309 /nfs/dbraw/zinc/42/03/09/352420309.db2.gz OJASWPHCQDCGSZ-IYXRBSQSSA-N 2 1 240.391 1.733 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334227459 352822012 /nfs/dbraw/zinc/82/20/12/352822012.db2.gz GBDBSUIZKSTPAH-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334227459 352822015 /nfs/dbraw/zinc/82/20/15/352822015.db2.gz GBDBSUIZKSTPAH-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000412079246 191254090 /nfs/dbraw/zinc/25/40/90/191254090.db2.gz LCEIAKSSWIXSJR-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000412079246 191254093 /nfs/dbraw/zinc/25/40/93/191254093.db2.gz LCEIAKSSWIXSJR-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000412079246 191254094 /nfs/dbraw/zinc/25/40/94/191254094.db2.gz LCEIAKSSWIXSJR-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCO3)C2)C1 ZINC000334235415 352852754 /nfs/dbraw/zinc/85/27/54/352852754.db2.gz HAPWMTWYMUHVIK-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCCO3)C2)C1 ZINC000334235415 352852756 /nfs/dbraw/zinc/85/27/56/352852756.db2.gz HAPWMTWYMUHVIK-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)[C@H](C)C1 ZINC000342811192 352862121 /nfs/dbraw/zinc/86/21/21/352862121.db2.gz CSIZWIJSCIGFBM-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[NH+](CCN[C@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000342852764 352875394 /nfs/dbraw/zinc/87/53/94/352875394.db2.gz RTHXDQYYVXHYCO-KBPBESRZSA-N 2 1 241.423 1.645 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334270930 352907693 /nfs/dbraw/zinc/90/76/93/352907693.db2.gz GFLGTORCKJUTRT-KBPBESRZSA-N 2 1 239.407 1.353 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412099231 191259570 /nfs/dbraw/zinc/25/95/70/191259570.db2.gz WIJXMYQTSWCGPQ-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP CO[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)CC(C)C ZINC000638839148 353016632 /nfs/dbraw/zinc/01/66/32/353016632.db2.gz YMZIKCVVPXGSHR-AWEZNQCLSA-N 2 1 240.391 1.899 20 0 BDADMP CC[C@@H](C)[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)OC ZINC000638838182 353023169 /nfs/dbraw/zinc/02/31/69/353023169.db2.gz DXKWLGPQHVZGQJ-TZMCWYRMSA-N 2 1 240.391 1.899 20 0 BDADMP C(C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)OCC1CC1 ZINC000359805700 188069439 /nfs/dbraw/zinc/06/94/39/188069439.db2.gz MDXDRKZBIXBPQP-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)OCC1CC1 ZINC000359805700 188069440 /nfs/dbraw/zinc/06/94/40/188069440.db2.gz MDXDRKZBIXBPQP-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000305170941 188078003 /nfs/dbraw/zinc/07/80/03/188078003.db2.gz UGODTCVPVIYRIZ-REWJHTLYSA-N 2 1 242.407 1.712 20 0 BDADMP C1=CCN(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355569188 188098241 /nfs/dbraw/zinc/09/82/41/188098241.db2.gz QISSATSEUZNSFC-LSDHHAIUSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[N@H+](CCN[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000355569188 188098242 /nfs/dbraw/zinc/09/82/42/188098242.db2.gz QISSATSEUZNSFC-LSDHHAIUSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[N@@H+](CCN[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000355569188 188098244 /nfs/dbraw/zinc/09/82/44/188098244.db2.gz QISSATSEUZNSFC-LSDHHAIUSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[NH+](CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355569188 188098246 /nfs/dbraw/zinc/09/82/46/188098246.db2.gz QISSATSEUZNSFC-LSDHHAIUSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[NH+](CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355569188 188098247 /nfs/dbraw/zinc/09/82/47/188098247.db2.gz QISSATSEUZNSFC-LSDHHAIUSA-N 2 1 249.402 1.465 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000054239852 188127305 /nfs/dbraw/zinc/12/73/05/188127305.db2.gz AIBXKKIPXXKSDK-HIFPTAJRSA-N 2 1 226.364 1.221 20 0 BDADMP C1C([NH2+][C@H]2CCOC2)CC1[NH+]1CCCCC1 ZINC000309700124 188150245 /nfs/dbraw/zinc/15/02/45/188150245.db2.gz SLOMYYDXMMJOPL-HIFPTAJRSA-N 2 1 224.348 1.382 20 0 BDADMP CC(C)[N@H+]1CCCN(CC(C)(C)[NH3+])CC1 ZINC000108329519 188161626 /nfs/dbraw/zinc/16/16/26/188161626.db2.gz TZQUWYNFJNGGDJ-UHFFFAOYSA-N 2 1 213.369 1.140 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000309525590 188168377 /nfs/dbraw/zinc/16/83/77/188168377.db2.gz AZWYWPQDWATZHL-HIFPTAJRSA-N 2 1 228.380 1.608 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000309525590 188168379 /nfs/dbraw/zinc/16/83/79/188168379.db2.gz AZWYWPQDWATZHL-HIFPTAJRSA-N 2 1 228.380 1.608 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000309671303 188169224 /nfs/dbraw/zinc/16/92/24/188169224.db2.gz JYPWLBHPMUXMSW-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000309671303 188169226 /nfs/dbraw/zinc/16/92/26/188169226.db2.gz JYPWLBHPMUXMSW-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000336765841 188175380 /nfs/dbraw/zinc/17/53/80/188175380.db2.gz OIBUBLUBOBTRJN-MASHWEEQSA-N 2 1 226.364 1.387 20 0 BDADMP CC(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343254851 353251779 /nfs/dbraw/zinc/25/17/79/353251779.db2.gz VKLGUQZRIKFFML-MCIONIFRSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1N(C)C ZINC000251798454 353288031 /nfs/dbraw/zinc/28/80/31/353288031.db2.gz NVEKYAWKJLHEMG-TZMCWYRMSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000251830975 353292491 /nfs/dbraw/zinc/29/24/91/353292491.db2.gz PNZCRCNGURWMQT-ZWNOBZJWSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000251830975 353292494 /nfs/dbraw/zinc/29/24/94/353292494.db2.gz PNZCRCNGURWMQT-ZWNOBZJWSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CC[NH+](C2CC2)C1 ZINC000343273520 353301999 /nfs/dbraw/zinc/30/19/99/353301999.db2.gz YEDFAKQPIGBWDK-YRGRVCCFSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343273520 353302000 /nfs/dbraw/zinc/30/20/00/353302000.db2.gz YEDFAKQPIGBWDK-YRGRVCCFSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000343273520 353302003 /nfs/dbraw/zinc/30/20/03/353302003.db2.gz YEDFAKQPIGBWDK-YRGRVCCFSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343273520 353302005 /nfs/dbraw/zinc/30/20/05/353302005.db2.gz YEDFAKQPIGBWDK-YRGRVCCFSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000343273520 353302007 /nfs/dbraw/zinc/30/20/07/353302007.db2.gz YEDFAKQPIGBWDK-YRGRVCCFSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698933 353303829 /nfs/dbraw/zinc/30/38/29/353303829.db2.gz PXIDIYDVKJNIQW-UTUOFQBUSA-N 2 1 219.332 1.812 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)CCCCO)CC1 ZINC000336771200 353305399 /nfs/dbraw/zinc/30/53/99/353305399.db2.gz UGTJYVWGJXBRSR-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(O)c3)C[C@@H]21 ZINC000230126203 353473295 /nfs/dbraw/zinc/47/32/95/353473295.db2.gz NYESHHZTXMSUHL-VHDGCEQUSA-N 2 1 246.354 1.951 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC000639103277 353577638 /nfs/dbraw/zinc/57/76/38/353577638.db2.gz JPKHMEFLWXHRSA-CYBMUJFWSA-N 2 1 249.358 1.703 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC000639103277 353577639 /nfs/dbraw/zinc/57/76/39/353577639.db2.gz JPKHMEFLWXHRSA-CYBMUJFWSA-N 2 1 249.358 1.703 20 0 BDADMP Fc1ccccc1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324069 181011532 /nfs/dbraw/zinc/01/15/32/181011532.db2.gz UGNVSHCIJOQMFF-GFCCVEGCSA-N 2 1 222.307 1.710 20 0 BDADMP CCCn1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000220337072 353829310 /nfs/dbraw/zinc/82/93/10/353829310.db2.gz JMRNMAOCXWYVQS-RYUDHWBXSA-N 2 1 236.363 1.462 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220340101 353830867 /nfs/dbraw/zinc/83/08/67/353830867.db2.gz CSPHSWJNPDHTAP-YPMHNXCESA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220340101 353830869 /nfs/dbraw/zinc/83/08/69/353830869.db2.gz CSPHSWJNPDHTAP-YPMHNXCESA-N 2 1 236.363 1.633 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000334530254 353907158 /nfs/dbraw/zinc/90/71/58/353907158.db2.gz IRRXFQMPTDSAJH-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000334530254 353907161 /nfs/dbraw/zinc/90/71/61/353907161.db2.gz IRRXFQMPTDSAJH-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000343557947 353921169 /nfs/dbraw/zinc/92/11/69/353921169.db2.gz GOHAHIVIBIXIQJ-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@H+](CC)C[C@@H]2C)C1 ZINC000343557947 353921173 /nfs/dbraw/zinc/92/11/73/353921173.db2.gz GOHAHIVIBIXIQJ-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](CC)C[C@@H]2C)C1 ZINC000343557947 353921175 /nfs/dbraw/zinc/92/11/75/353921175.db2.gz GOHAHIVIBIXIQJ-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1 ZINC000343557947 353921178 /nfs/dbraw/zinc/92/11/78/353921178.db2.gz GOHAHIVIBIXIQJ-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000343557947 353921181 /nfs/dbraw/zinc/92/11/81/353921181.db2.gz GOHAHIVIBIXIQJ-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH+](CC)C[C@@H]1C)C1CC1 ZINC000343916037 354040633 /nfs/dbraw/zinc/04/06/33/354040633.db2.gz PIOGHSZVLSSONU-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@H+](CC)C[C@@H]1C)C1CC1 ZINC000343916037 354040635 /nfs/dbraw/zinc/04/06/35/354040635.db2.gz PIOGHSZVLSSONU-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC000343916037 354040637 /nfs/dbraw/zinc/04/06/37/354040637.db2.gz PIOGHSZVLSSONU-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)C(C)(C)C)CC1 ZINC000343915932 354040688 /nfs/dbraw/zinc/04/06/88/354040688.db2.gz GALPHUXYVTXSRE-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP COCC1(C[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000639167124 354046544 /nfs/dbraw/zinc/04/65/44/354046544.db2.gz AUXVXUOCPMHSJK-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@@H]2CCC[C@@H]21 ZINC000343980369 354058184 /nfs/dbraw/zinc/05/81/84/354058184.db2.gz IXZCQJASWFEMET-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344029798 354091987 /nfs/dbraw/zinc/09/19/87/354091987.db2.gz AVPNDGJKVNVBHE-CYBMUJFWSA-N 2 1 229.412 1.600 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC[NH+](C)C1CCCC1 ZINC000344226788 354183651 /nfs/dbraw/zinc/18/36/51/354183651.db2.gz DMGVHZJJLBEOPF-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[NH+](C)C[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000344226788 354183654 /nfs/dbraw/zinc/18/36/54/354183654.db2.gz DMGVHZJJLBEOPF-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[NH+](C)C[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000344226788 354183658 /nfs/dbraw/zinc/18/36/58/354183658.db2.gz DMGVHZJJLBEOPF-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC[C@H]1CCO1 ZINC000639178394 354253756 /nfs/dbraw/zinc/25/37/56/354253756.db2.gz KZZWDESUHUZKLB-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC[C@H]1CCO1 ZINC000639178394 354253757 /nfs/dbraw/zinc/25/37/57/354253757.db2.gz KZZWDESUHUZKLB-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC[C@H]1CCO1 ZINC000639178394 354253759 /nfs/dbraw/zinc/25/37/59/354253759.db2.gz KZZWDESUHUZKLB-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC[C@H]1CCO1 ZINC000639178394 354253760 /nfs/dbraw/zinc/25/37/60/354253760.db2.gz KZZWDESUHUZKLB-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH2+]C1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000578070705 366219360 /nfs/dbraw/zinc/21/93/60/366219360.db2.gz BTOBMUALHVPNHS-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP Cn1cc(CCC[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000314495250 491067868 /nfs/dbraw/zinc/06/78/68/491067868.db2.gz KZFPIQUSJNMYQM-UHFFFAOYSA-N 2 1 236.363 1.037 20 0 BDADMP CCC(CC)[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351961075 134019948 /nfs/dbraw/zinc/01/99/48/134019948.db2.gz ZCYXHNAYUJDLEU-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351961075 134019949 /nfs/dbraw/zinc/01/99/49/134019949.db2.gz ZCYXHNAYUJDLEU-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351961075 134019950 /nfs/dbraw/zinc/01/99/50/134019950.db2.gz ZCYXHNAYUJDLEU-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351961075 134019951 /nfs/dbraw/zinc/01/99/51/134019951.db2.gz ZCYXHNAYUJDLEU-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@H](CCN(C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400943898 491069087 /nfs/dbraw/zinc/06/90/87/491069087.db2.gz CDJMHCZHXONSJC-YIYPIFLZSA-N 2 1 239.407 1.304 20 0 BDADMP CSC1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCC1 ZINC000335179107 354965477 /nfs/dbraw/zinc/96/54/77/354965477.db2.gz QGWSGLWYBCPIGZ-TXEJJXNPSA-N 2 1 240.416 1.766 20 0 BDADMP CSC1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCC1 ZINC000335179107 354965479 /nfs/dbraw/zinc/96/54/79/354965479.db2.gz QGWSGLWYBCPIGZ-TXEJJXNPSA-N 2 1 240.416 1.766 20 0 BDADMP CSC1(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCC1 ZINC000335179107 354965481 /nfs/dbraw/zinc/96/54/81/354965481.db2.gz QGWSGLWYBCPIGZ-TXEJJXNPSA-N 2 1 240.416 1.766 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CCO1 ZINC000346645627 355017249 /nfs/dbraw/zinc/01/72/49/355017249.db2.gz DZMNFRCXGUYGDQ-REWJHTLYSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346694895 355076815 /nfs/dbraw/zinc/07/68/15/355076815.db2.gz WZPHNVZOLUYRCL-CYBMUJFWSA-N 2 1 238.379 1.832 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346694895 355076818 /nfs/dbraw/zinc/07/68/18/355076818.db2.gz WZPHNVZOLUYRCL-CYBMUJFWSA-N 2 1 238.379 1.832 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000346786428 355116558 /nfs/dbraw/zinc/11/65/58/355116558.db2.gz DZPDGHPZAFPQCG-JSGCOSHPSA-N 2 1 239.407 1.543 20 0 BDADMP CCCC[N@@H+](CCOC)C[C@H]1CCC[NH2+]C1 ZINC000346853633 355139044 /nfs/dbraw/zinc/13/90/44/355139044.db2.gz LWDGQXHDTBDKFW-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](CO)C(C)(C)C ZINC000346988387 355188457 /nfs/dbraw/zinc/18/84/57/355188457.db2.gz QYAJIJBNVNZJQB-VXGBXAGGSA-N 2 1 228.380 1.325 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@H]1O)CC1CC[NH2+]CC1 ZINC000346989425 355189525 /nfs/dbraw/zinc/18/95/25/355189525.db2.gz RJPIZXXFOCGQJG-QWHCGFSZSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1C[N@H+](CCSCC[NH+](C)C)CCO1 ZINC000412996322 191332418 /nfs/dbraw/zinc/33/24/18/191332418.db2.gz FTCFZJQKBSXLJK-NSHDSACASA-N 2 1 232.393 1.002 20 0 BDADMP C[C@H]1C[N@@H+](CCSCC[NH+](C)C)CCO1 ZINC000412996322 191332420 /nfs/dbraw/zinc/33/24/20/191332420.db2.gz FTCFZJQKBSXLJK-NSHDSACASA-N 2 1 232.393 1.002 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000412975575 191347222 /nfs/dbraw/zinc/34/72/22/191347222.db2.gz FYNJLTRXOKFZAH-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000412975575 191347224 /nfs/dbraw/zinc/34/72/24/191347224.db2.gz FYNJLTRXOKFZAH-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCC2(O)CCC2)CC[N@H+]1C ZINC000639277051 355353415 /nfs/dbraw/zinc/35/34/15/355353415.db2.gz RQZKOPYTUQTOEP-CHWSQXEVSA-N 2 1 240.391 1.754 20 0 BDADMP Fc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000335777947 355403911 /nfs/dbraw/zinc/40/39/11/355403911.db2.gz UBXPFQBBAWYKAU-OCCSQVGLSA-N 2 1 249.333 1.937 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000335783278 355431599 /nfs/dbraw/zinc/43/15/99/355431599.db2.gz NVUHXUBKOXNWIV-KCJUWKMLSA-N 2 1 222.336 1.196 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1sccc1OC ZINC000414843960 191598661 /nfs/dbraw/zinc/59/86/61/191598661.db2.gz QTSVPBLQLWRHOI-SECBINFHSA-N 2 1 228.361 1.702 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CCC3)C2)C1 ZINC000335859130 355604756 /nfs/dbraw/zinc/60/47/56/355604756.db2.gz CJLSMZOZUSWASC-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC000335859130 355604758 /nfs/dbraw/zinc/60/47/58/355604758.db2.gz CJLSMZOZUSWASC-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC000335859130 355604761 /nfs/dbraw/zinc/60/47/61/355604761.db2.gz CJLSMZOZUSWASC-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP CCC[NH+](CC)CCNC(=O)C[N@H+](C)CCC ZINC000350002325 355573531 /nfs/dbraw/zinc/57/35/31/355573531.db2.gz JTHGMNOMMOIKSB-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP CCC[NH+](C)CC(=O)NCC[N@H+](CC)CCC ZINC000350002325 355573535 /nfs/dbraw/zinc/57/35/35/355573535.db2.gz JTHGMNOMMOIKSB-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)CCC ZINC000350002325 355573539 /nfs/dbraw/zinc/57/35/39/355573539.db2.gz JTHGMNOMMOIKSB-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP Cc1ncc(C[N@@H+]2CCc3n[nH]cc3C2)n1C ZINC000623244543 355666400 /nfs/dbraw/zinc/66/64/00/355666400.db2.gz UPDJKOQYDJNIGT-UHFFFAOYSA-N 2 1 231.303 1.010 20 0 BDADMP Cc1ncc(C[N@H+]2CCc3n[nH]cc3C2)n1C ZINC000623244543 355666404 /nfs/dbraw/zinc/66/64/04/355666404.db2.gz UPDJKOQYDJNIGT-UHFFFAOYSA-N 2 1 231.303 1.010 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000191656946 355753750 /nfs/dbraw/zinc/75/37/50/355753750.db2.gz NZQAICPEASKCPZ-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP Nc1ncc(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352540742 181209288 /nfs/dbraw/zinc/20/92/88/181209288.db2.gz OVZDBMOGGBTDKH-VIFPVBQESA-N 2 1 240.376 1.259 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000328263981 355851094 /nfs/dbraw/zinc/85/10/94/355851094.db2.gz SRLONQARLCRWIM-GFCCVEGCSA-N 2 1 228.380 1.874 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000336026837 134057349 /nfs/dbraw/zinc/05/73/49/134057349.db2.gz PXULCDCHORRDLP-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000336026837 134057350 /nfs/dbraw/zinc/05/73/50/134057350.db2.gz PXULCDCHORRDLP-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCC[C@H](C[NH3+])C2)c1 ZINC000166889548 355865201 /nfs/dbraw/zinc/86/52/01/355865201.db2.gz IEZSYWSLTXORCV-GFCCVEGCSA-N 2 1 249.358 1.569 20 0 BDADMP CC(C)[C@@H]1CN(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000336054859 134065933 /nfs/dbraw/zinc/06/59/33/134065933.db2.gz OHTRFAUEZGBPMX-AWEZNQCLSA-N 2 1 239.407 1.258 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]12 ZINC000351492430 356001469 /nfs/dbraw/zinc/00/14/69/356001469.db2.gz KWFQWFHURRJLNI-FRRDWIJNSA-N 2 1 224.348 1.082 20 0 BDADMP Cc1[nH+]cc(CN(C)[C@@H]2C[NH+]3CCC2CC3)n1C ZINC000639393214 356067195 /nfs/dbraw/zinc/06/71/95/356067195.db2.gz UAMZXFKLHHBDDV-CQSZACIVSA-N 2 1 248.374 1.255 20 0 BDADMP Cn1c[nH+]cc1CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000639471678 356260712 /nfs/dbraw/zinc/26/07/12/356260712.db2.gz YSJTZISUCIEHPB-AWEZNQCLSA-N 2 1 248.374 1.133 20 0 BDADMP C(C[N@@H+](C[C@H]1CCOC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420299071 192205707 /nfs/dbraw/zinc/20/57/07/192205707.db2.gz GFHBKJWRODWHCY-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420297382 192205987 /nfs/dbraw/zinc/20/59/87/192205987.db2.gz YTFLFECHPQJPOR-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420297382 192205989 /nfs/dbraw/zinc/20/59/89/192205989.db2.gz YTFLFECHPQJPOR-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420269529 192195497 /nfs/dbraw/zinc/19/54/97/192195497.db2.gz IEYUSOPZVGQAKX-UONOGXRCSA-N 3 1 239.407 1.308 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420288582 192202147 /nfs/dbraw/zinc/20/21/47/192202147.db2.gz JIERRYFZIFDHPJ-OLZOCXBDSA-N 3 1 227.396 1.291 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccon1 ZINC000420314620 192213538 /nfs/dbraw/zinc/21/35/38/192213538.db2.gz ZEMSCRXTDUMODY-LLVKDONJSA-N 2 1 223.320 1.496 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccon1 ZINC000420314620 192213540 /nfs/dbraw/zinc/21/35/40/192213540.db2.gz ZEMSCRXTDUMODY-LLVKDONJSA-N 2 1 223.320 1.496 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420346057 192216086 /nfs/dbraw/zinc/21/60/86/192216086.db2.gz XIHUHYAFIWRHDQ-MELADBBJSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420346057 192216089 /nfs/dbraw/zinc/21/60/89/192216089.db2.gz XIHUHYAFIWRHDQ-MELADBBJSA-N 3 1 237.391 1.060 20 0 BDADMP CCCCNC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420353954 192216945 /nfs/dbraw/zinc/21/69/45/192216945.db2.gz CNCCCOUKQYRTQV-NSHDSACASA-N 2 1 243.395 1.256 20 0 BDADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420349920 192218194 /nfs/dbraw/zinc/21/81/94/192218194.db2.gz FEHLVHAMMIYQDV-DGCLKSJQSA-N 2 1 222.332 1.307 20 0 BDADMP CC(C)OCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420354333 192218643 /nfs/dbraw/zinc/21/86/43/192218643.db2.gz CYAIXECNEGGUPK-ZDUSSCGKSA-N 2 1 228.380 1.909 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@H]1CCCCO1 ZINC000420308133 192211033 /nfs/dbraw/zinc/21/10/33/192211033.db2.gz CLQPQEHGNOYPGN-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP COC1CCC([N@@H+](C)CC[C@H]2CC[NH2+]C2)CC1 ZINC000420308053 192211347 /nfs/dbraw/zinc/21/13/47/192211347.db2.gz RXHVECDPGWGGSS-IYXRBSQSSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000420312244 192211499 /nfs/dbraw/zinc/21/14/99/192211499.db2.gz SAMJPXJGOSSMCK-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000420312244 192211502 /nfs/dbraw/zinc/21/15/02/192211502.db2.gz SAMJPXJGOSSMCK-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420317318 192212282 /nfs/dbraw/zinc/21/22/82/192212282.db2.gz ZJBINLKTWZNSTO-IHRRRGAJSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420317318 192212284 /nfs/dbraw/zinc/21/22/84/192212284.db2.gz ZJBINLKTWZNSTO-IHRRRGAJSA-N 3 1 239.407 1.387 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC000420314677 192212561 /nfs/dbraw/zinc/21/25/61/192212561.db2.gz WAVAWXIEZASFAC-RFQIPJPRSA-N 3 1 237.391 1.045 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000420367625 192226436 /nfs/dbraw/zinc/22/64/36/192226436.db2.gz HGBYXPPKJPZBDO-LBPRGKRZSA-N 2 1 236.363 1.773 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420370258 192227909 /nfs/dbraw/zinc/22/79/09/192227909.db2.gz YVPGHGOQXCURCB-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420327864 192229034 /nfs/dbraw/zinc/22/90/34/192229034.db2.gz ZADZANVRWHTWLV-OLZOCXBDSA-N 3 1 227.396 1.339 20 0 BDADMP CCCCNC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420325074 192229101 /nfs/dbraw/zinc/22/91/01/192229101.db2.gz HYDZWEMGSRPDPA-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP CCCCNC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420325074 192229103 /nfs/dbraw/zinc/22/91/03/192229103.db2.gz HYDZWEMGSRPDPA-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420324457 192229644 /nfs/dbraw/zinc/22/96/44/192229644.db2.gz VJJRIFJFSZBFLP-LBPRGKRZSA-N 2 1 237.391 1.155 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324825 192230636 /nfs/dbraw/zinc/23/06/36/192230636.db2.gz HQDAAEHTFGVYSK-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP [NH3+]CCOCC[N@@H+]1CCc2cccc(F)c2C1 ZINC000420356921 192219739 /nfs/dbraw/zinc/21/97/39/192219739.db2.gz HEKRCLADVKDTTO-UHFFFAOYSA-N 2 1 238.306 1.159 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCc2cccc(F)c2C1 ZINC000420356921 192219741 /nfs/dbraw/zinc/21/97/41/192219741.db2.gz HEKRCLADVKDTTO-UHFFFAOYSA-N 2 1 238.306 1.159 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOCC(F)(F)F ZINC000420354439 192220678 /nfs/dbraw/zinc/22/06/78/192220678.db2.gz CZTJTDQGVKZFSA-MRVPVSSYSA-N 2 1 242.285 1.528 20 0 BDADMP FC(F)COCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361422 192221857 /nfs/dbraw/zinc/22/18/57/192221857.db2.gz GYHMLHOAWNQUNO-LBPRGKRZSA-N 2 1 248.317 1.344 20 0 BDADMP FC(F)COCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361422 192221860 /nfs/dbraw/zinc/22/18/60/192221860.db2.gz GYHMLHOAWNQUNO-LBPRGKRZSA-N 2 1 248.317 1.344 20 0 BDADMP CCOC(=O)[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420360308 192221882 /nfs/dbraw/zinc/22/18/82/192221882.db2.gz LWCFOSDSDGRJTF-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOCC(F)F ZINC000420359151 192222187 /nfs/dbraw/zinc/22/21/87/192222187.db2.gz GBJGKCPPOALLGG-FXPVBKGRSA-N 2 1 236.306 1.244 20 0 BDADMP C[NH2+]CCC[N@@H+](CCC(=O)OC)CC(C)C ZINC000420360322 192222310 /nfs/dbraw/zinc/22/23/10/192222310.db2.gz LWYVZUOAHPCFRB-UHFFFAOYSA-N 2 1 230.352 1.117 20 0 BDADMP COCC[C@H]1CCCC[N@@H+](C[C@H](C)N)C1 ZINC000420368227 192225096 /nfs/dbraw/zinc/22/50/96/192225096.db2.gz HSUGVELHUIAPBK-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP CCOCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420381876 192235560 /nfs/dbraw/zinc/23/55/60/192235560.db2.gz CUMLKTUQZWFRLT-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CCc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420397296 192236350 /nfs/dbraw/zinc/23/63/50/192236350.db2.gz XDAWBAUETWLVNT-HNNXBMFYSA-N 2 1 248.370 1.799 20 0 BDADMP CCc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420397296 192236352 /nfs/dbraw/zinc/23/63/52/192236352.db2.gz XDAWBAUETWLVNT-HNNXBMFYSA-N 2 1 248.370 1.799 20 0 BDADMP COCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390131 192237362 /nfs/dbraw/zinc/23/73/62/192237362.db2.gz XZMAXIMUFMYIPR-ZDUSSCGKSA-N 2 1 226.364 1.489 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420404460 192238406 /nfs/dbraw/zinc/23/84/06/192238406.db2.gz SFFRMXBPRWNUMN-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H]([NH2+]CCC[NH3+])c1ccc(F)c(F)c1 ZINC000420414685 192240916 /nfs/dbraw/zinc/24/09/16/192240916.db2.gz USDQZWAHKUDDCD-GFCCVEGCSA-N 2 1 244.285 1.591 20 0 BDADMP COCC1(C)CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000420374608 192231473 /nfs/dbraw/zinc/23/14/73/192231473.db2.gz OFNOOMRAOXVSAD-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP CCOCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420376571 192231827 /nfs/dbraw/zinc/23/18/27/192231827.db2.gz VFIPFWLZOBPTQA-GRYCIOLGSA-N 2 1 214.353 1.389 20 0 BDADMP [NH3+]C[C@H]([NH2+]CCOCC1CC1)C1CCCCC1 ZINC000420379120 192233624 /nfs/dbraw/zinc/23/36/24/192233624.db2.gz XKYMUHVEVWTSGZ-AWEZNQCLSA-N 2 1 240.391 1.910 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631180706 356455661 /nfs/dbraw/zinc/45/56/61/356455661.db2.gz IJTAUJPVLLSUFK-CYBMUJFWSA-N 2 1 249.358 1.609 20 0 BDADMP Cc1noc(C)c1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000639566070 356486308 /nfs/dbraw/zinc/48/63/08/356486308.db2.gz WFKNOQRTXVVDTA-SECBINFHSA-N 2 1 248.330 1.918 20 0 BDADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H](C)O ZINC000352223996 134109985 /nfs/dbraw/zinc/10/99/85/134109985.db2.gz YUZAIUJKZDMHMN-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H](C)O ZINC000352223996 134109986 /nfs/dbraw/zinc/10/99/86/134109986.db2.gz YUZAIUJKZDMHMN-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000167594683 134116603 /nfs/dbraw/zinc/11/66/03/134116603.db2.gz RJFDWUJVBHBOBZ-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000167594683 134116604 /nfs/dbraw/zinc/11/66/04/134116604.db2.gz RJFDWUJVBHBOBZ-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222908932 535313813 /nfs/dbraw/zinc/31/38/13/535313813.db2.gz BFMIDVPFBFLHAT-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCC[NH+]1CCCC1(C)C ZINC000449784196 202034597 /nfs/dbraw/zinc/03/45/97/202034597.db2.gz VWYCPPMEVAFTBD-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC[NH+]1CCCC1(C)C ZINC000449784196 202034599 /nfs/dbraw/zinc/03/45/99/202034599.db2.gz VWYCPPMEVAFTBD-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NCC[N@@H+]1CCCC1(C)C ZINC000449784196 202034602 /nfs/dbraw/zinc/03/46/02/202034602.db2.gz VWYCPPMEVAFTBD-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000449784196 202034604 /nfs/dbraw/zinc/03/46/04/202034604.db2.gz VWYCPPMEVAFTBD-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc[nH]c(=O)c3)C2)C1 ZINC000639654811 356559929 /nfs/dbraw/zinc/55/99/29/356559929.db2.gz NTCJCMJOKYGNGT-AWEZNQCLSA-N 2 1 247.342 1.315 20 0 BDADMP CO[C@H](C)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706279 356614760 /nfs/dbraw/zinc/61/47/60/356614760.db2.gz XGVKOZFGKLQAFS-CYBMUJFWSA-N 2 1 249.358 1.629 20 0 BDADMP CCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000041248856 358507139 /nfs/dbraw/zinc/50/71/39/358507139.db2.gz JUFOCOUXECWELS-UHFFFAOYSA-N 2 1 227.396 1.356 20 0 BDADMP CCc1cc(N(C)CC[NH+]2CCOCC2)cc[nH+]1 ZINC000450301014 202124407 /nfs/dbraw/zinc/12/44/07/202124407.db2.gz DWCYHZZZUSUAEZ-UHFFFAOYSA-N 2 1 249.358 1.412 20 0 BDADMP CCc1cc(NCC[N@@H+]2CCOC[C@@H]2C)cc[nH+]1 ZINC000450313249 202125125 /nfs/dbraw/zinc/12/51/25/202125125.db2.gz KPJOKPHAYYARJT-LBPRGKRZSA-N 2 1 249.358 1.199 20 0 BDADMP CCc1cc(NCC[N@H+]2CCOC[C@@H]2C)cc[nH+]1 ZINC000450313249 202125128 /nfs/dbraw/zinc/12/51/28/202125128.db2.gz KPJOKPHAYYARJT-LBPRGKRZSA-N 2 1 249.358 1.199 20 0 BDADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)on1 ZINC000639755827 356659243 /nfs/dbraw/zinc/65/92/43/356659243.db2.gz OBMXVCKFOIBKDI-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP CCOCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756153 356659287 /nfs/dbraw/zinc/65/92/87/356659287.db2.gz QQKLHBJQHHXPTM-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])o1 ZINC000423131828 192580449 /nfs/dbraw/zinc/58/04/49/192580449.db2.gz OMUDKXCQQXSAJW-DTWKUNHWSA-N 2 1 225.336 1.761 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000167762360 134153680 /nfs/dbraw/zinc/15/36/80/134153680.db2.gz HCKZWULLMOEZIX-KGLIPLIRSA-N 2 1 248.370 1.982 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167791147 134154210 /nfs/dbraw/zinc/15/42/10/134154210.db2.gz VWJQNUIRWKETFM-KBPBESRZSA-N 2 1 242.407 1.966 20 0 BDADMP CC(C)=CC[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639765536 356695550 /nfs/dbraw/zinc/69/55/50/356695550.db2.gz IYGYWJGFCTULIY-ZDUSSCGKSA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)=CC[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639765536 356695554 /nfs/dbraw/zinc/69/55/54/356695554.db2.gz IYGYWJGFCTULIY-ZDUSSCGKSA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)=CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765536 356695555 /nfs/dbraw/zinc/69/55/55/356695555.db2.gz IYGYWJGFCTULIY-ZDUSSCGKSA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)=CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765536 356695559 /nfs/dbraw/zinc/69/55/59/356695559.db2.gz IYGYWJGFCTULIY-ZDUSSCGKSA-N 2 1 226.364 1.341 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1(C)C ZINC000623356316 356792295 /nfs/dbraw/zinc/79/22/95/356792295.db2.gz IJILCYJZVKTMAS-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358227316 356862909 /nfs/dbraw/zinc/86/29/09/356862909.db2.gz DPHMEFPXYKMBKX-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358227316 356862912 /nfs/dbraw/zinc/86/29/12/356862912.db2.gz DPHMEFPXYKMBKX-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000358232306 356863432 /nfs/dbraw/zinc/86/34/32/356863432.db2.gz UXGQAKZVKMDCLU-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378124 356900091 /nfs/dbraw/zinc/90/00/91/356900091.db2.gz UBVFRIZSMFIZQK-VXGBXAGGSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450598130 202207442 /nfs/dbraw/zinc/20/74/42/202207442.db2.gz PYACSSHAABIREM-ZDUSSCGKSA-N 2 1 249.358 1.071 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623395489 357018704 /nfs/dbraw/zinc/01/87/04/357018704.db2.gz NRLRGLQMUMLTCJ-MNOVXSKESA-N 2 1 228.380 1.608 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623395488 357018772 /nfs/dbraw/zinc/01/87/72/357018772.db2.gz NRLRGLQMUMLTCJ-GHMZBOCLSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623395490 357018799 /nfs/dbraw/zinc/01/87/99/357018799.db2.gz NRLRGLQMUMLTCJ-QWRGUYRKSA-N 2 1 228.380 1.608 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)C ZINC000390470819 357094336 /nfs/dbraw/zinc/09/43/36/357094336.db2.gz HEAGJKPFUNHHAD-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)C ZINC000390470819 357094341 /nfs/dbraw/zinc/09/43/41/357094341.db2.gz HEAGJKPFUNHHAD-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)C ZINC000390470819 357094346 /nfs/dbraw/zinc/09/43/46/357094346.db2.gz HEAGJKPFUNHHAD-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(C)C ZINC000390470819 357094351 /nfs/dbraw/zinc/09/43/51/357094351.db2.gz HEAGJKPFUNHHAD-OLZOCXBDSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)C ZINC000390470820 357094614 /nfs/dbraw/zinc/09/46/14/357094614.db2.gz HEAGJKPFUNHHAD-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)C ZINC000390470820 357094619 /nfs/dbraw/zinc/09/46/19/357094619.db2.gz HEAGJKPFUNHHAD-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000390470820 357094622 /nfs/dbraw/zinc/09/46/22/357094622.db2.gz HEAGJKPFUNHHAD-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000390470820 357094628 /nfs/dbraw/zinc/09/46/28/357094628.db2.gz HEAGJKPFUNHHAD-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374420304 357160187 /nfs/dbraw/zinc/16/01/87/357160187.db2.gz LECCIDXFUONFQU-HZSPNIEDSA-N 2 1 240.391 1.826 20 0 BDADMP CCc1nc(NC[C@@H](C)C[NH2+]C)cc(C)[nH+]1 ZINC000304277540 357161227 /nfs/dbraw/zinc/16/12/27/357161227.db2.gz DRQDXNQHFUISCW-VIFPVBQESA-N 2 1 222.336 1.615 20 0 BDADMP COC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C(C)C ZINC000423266845 192661492 /nfs/dbraw/zinc/66/14/92/192661492.db2.gz SJQXRXBVOGNIRB-RYUDHWBXSA-N 2 1 216.369 1.620 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423279692 192672273 /nfs/dbraw/zinc/67/22/73/192672273.db2.gz STNZGQPLQKPUHN-ZJUUUORDSA-N 2 1 225.311 1.727 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000393244034 357279350 /nfs/dbraw/zinc/27/93/50/357279350.db2.gz NJBCPXSWQWYFON-YVECIDJPSA-N 2 1 226.364 1.349 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](C)COC ZINC000582633417 357355873 /nfs/dbraw/zinc/35/58/73/357355873.db2.gz QQIHYNJJGBFVHO-LBPRGKRZSA-N 2 1 216.369 1.543 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])[C@H]1COc2ccccc21 ZINC000582786756 357394445 /nfs/dbraw/zinc/39/44/45/357394445.db2.gz CEIAOAYLNLSKOR-GXSJLCMTSA-N 2 1 206.289 1.099 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396842754 357485908 /nfs/dbraw/zinc/48/59/08/357485908.db2.gz DUNKINQLXPVKDD-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)C[C@@H]1CCC[NH2+]C1 ZINC000086188743 357872158 /nfs/dbraw/zinc/87/21/58/357872158.db2.gz JTFKXJLLIMVYTB-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC(C)[C@](C)(CO)[NH2+]CCCc1c[nH+]cn1C ZINC000398459237 357885572 /nfs/dbraw/zinc/88/55/72/357885572.db2.gz IHAZTDXHZHGBKX-ZDUSSCGKSA-N 2 1 239.363 1.349 20 0 BDADMP CCn1ccnc1CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000584419074 357916647 /nfs/dbraw/zinc/91/66/47/357916647.db2.gz UJLRKGZPWWGKJP-QWHCGFSZSA-N 2 1 248.374 1.572 20 0 BDADMP CCn1c(C[NH2+][C@@H](C)CC[NH3+])nc2ccccc21 ZINC000583859419 358012956 /nfs/dbraw/zinc/01/29/56/358012956.db2.gz UBTCYIKUHCQSQR-NSHDSACASA-N 2 1 246.358 1.883 20 0 BDADMP CCOCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981018 358025680 /nfs/dbraw/zinc/02/56/80/358025680.db2.gz GUDHCUXXRMHUKN-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000220527629 358044447 /nfs/dbraw/zinc/04/44/47/358044447.db2.gz FSBLGKPXMVRLFD-QMMMGPOBSA-N 2 1 214.259 1.792 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CC[N@@H+]1C ZINC000090721288 363595774 /nfs/dbraw/zinc/59/57/74/363595774.db2.gz GUYUXYMFHUVLJL-DGCLKSJQSA-N 2 1 234.343 1.965 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CC[N@H+]1C ZINC000090721288 363595783 /nfs/dbraw/zinc/59/57/83/363595783.db2.gz GUYUXYMFHUVLJL-DGCLKSJQSA-N 2 1 234.343 1.965 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623418328 358062471 /nfs/dbraw/zinc/06/24/71/358062471.db2.gz MCLOHXQQQAFCBY-AVGNSLFASA-N 2 1 240.391 1.752 20 0 BDADMP COC[C@@H](C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000584575578 358084062 /nfs/dbraw/zinc/08/40/62/358084062.db2.gz IIVHLAJBIIIVMD-QWHCGFSZSA-N 2 1 228.380 1.590 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H](C)C1 ZINC000631669177 358183291 /nfs/dbraw/zinc/18/32/91/358183291.db2.gz HIPINKUMHUPDSN-NDBYEHHHSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000040622170 358243469 /nfs/dbraw/zinc/24/34/69/358243469.db2.gz KVYVSELBDLHUPZ-GFCCVEGCSA-N 2 1 236.363 1.240 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000040622170 358243474 /nfs/dbraw/zinc/24/34/74/358243474.db2.gz KVYVSELBDLHUPZ-GFCCVEGCSA-N 2 1 236.363 1.240 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000045038832 358400314 /nfs/dbraw/zinc/40/03/14/358400314.db2.gz RNMSDKUJCBRMHA-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623426874 358430669 /nfs/dbraw/zinc/43/06/69/358430669.db2.gz BXVNPNOZQOHANX-NWDGAFQWSA-N 2 1 228.380 1.874 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130252305 358615046 /nfs/dbraw/zinc/61/50/46/358615046.db2.gz IKABRSCPQHLURP-MJBXVCDLSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623429988 358689881 /nfs/dbraw/zinc/68/98/81/358689881.db2.gz YTBODGUEERVHOY-CHWSQXEVSA-N 2 1 242.407 2.000 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623429991 358690183 /nfs/dbraw/zinc/69/01/83/358690183.db2.gz YTBODGUEERVHOY-STQMWFEESA-N 2 1 242.407 2.000 20 0 BDADMP Cc1cccc(OCC[N@@H+](C)CCC[NH3+])c1 ZINC000133196797 358748276 /nfs/dbraw/zinc/74/82/76/358748276.db2.gz QNENFXROLVJJSE-UHFFFAOYSA-N 2 1 222.332 1.654 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000219860342 134292221 /nfs/dbraw/zinc/29/22/21/134292221.db2.gz PJWPFKQNUXFPQN-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000135029515 358816357 /nfs/dbraw/zinc/81/63/57/358816357.db2.gz UAQBUVWGFCOYBW-BPNCWPANSA-N 2 1 234.343 1.882 20 0 BDADMP [NH3+]Cc1noc([C@@H]2CCCCCC[C@@H]2[NH3+])n1 ZINC000578236223 366464913 /nfs/dbraw/zinc/46/49/13/366464913.db2.gz DUCHZACCVCYBJX-BDAKNGLRSA-N 2 1 224.308 1.293 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626396 359030706 /nfs/dbraw/zinc/03/07/06/359030706.db2.gz UQGSBULOSACKND-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP COCC[N@@H+](CCC[NH3+])CCc1ccccc1 ZINC000071225081 359073503 /nfs/dbraw/zinc/07/35/03/359073503.db2.gz BFLMVKFXJYJNKF-UHFFFAOYSA-N 2 1 236.359 1.526 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1CCC[NH2+]CC1 ZINC000071292370 359074831 /nfs/dbraw/zinc/07/48/31/359074831.db2.gz OXJKRHSYGDEFSN-UHFFFAOYSA-N 2 1 242.363 1.405 20 0 BDADMP C[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C ZINC000247184628 359199825 /nfs/dbraw/zinc/19/98/25/359199825.db2.gz WCOXGXSWBAPZRY-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423427267 192751964 /nfs/dbraw/zinc/75/19/64/192751964.db2.gz IKLFJYHUJBQUBJ-SCUASFONSA-N 2 1 216.328 1.863 20 0 BDADMP CCc1nc(NCC[N@H+](C)C2CC2)cc(C)[nH+]1 ZINC000288611076 359539066 /nfs/dbraw/zinc/53/90/66/359539066.db2.gz XCFMVDPLZNELPO-UHFFFAOYSA-N 2 1 234.347 1.854 20 0 BDADMP CCc1nc(NCC[N@@H+](C)C2CC2)cc(C)[nH+]1 ZINC000288611076 359539071 /nfs/dbraw/zinc/53/90/71/359539071.db2.gz XCFMVDPLZNELPO-UHFFFAOYSA-N 2 1 234.347 1.854 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000578368211 366541527 /nfs/dbraw/zinc/54/15/27/366541527.db2.gz HCHKBWQLYJREFB-SRVKXCTJSA-N 2 1 228.380 1.501 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ncccn2)C1 ZINC000578519271 366587755 /nfs/dbraw/zinc/58/77/55/366587755.db2.gz URFKALBRYQJEHL-LLVKDONJSA-N 2 1 243.314 1.200 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ncccn2)C1 ZINC000578519271 366587758 /nfs/dbraw/zinc/58/77/58/366587758.db2.gz URFKALBRYQJEHL-LLVKDONJSA-N 2 1 243.314 1.200 20 0 BDADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@](C)(F)C1)C1CC1 ZINC000451112893 202355139 /nfs/dbraw/zinc/35/51/39/202355139.db2.gz IUXCIOWOKPGDJM-CHWSQXEVSA-N 2 1 244.354 1.266 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C1CC1)C1COC1 ZINC000451124817 202360386 /nfs/dbraw/zinc/36/03/86/202360386.db2.gz JTZDPKXHRLSTHJ-UHFFFAOYSA-N 2 1 249.358 1.835 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C1CC1)C1COC1 ZINC000451124817 202360388 /nfs/dbraw/zinc/36/03/88/202360388.db2.gz JTZDPKXHRLSTHJ-UHFFFAOYSA-N 2 1 249.358 1.835 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000451241293 202384675 /nfs/dbraw/zinc/38/46/75/202384675.db2.gz JBJGNFQEGNVXBU-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000089139592 359992105 /nfs/dbraw/zinc/99/21/05/359992105.db2.gz OENQHAOQCVKYOV-UONOGXRCSA-N 3 1 241.423 1.825 20 0 BDADMP CCc1cc(N2CCC([C@@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000088759726 359976789 /nfs/dbraw/zinc/97/67/89/359976789.db2.gz ZXZZRXIVKSFJOG-SNVBAGLBSA-N 2 1 248.374 1.911 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CC2)CC1(C)C ZINC000623472215 360048459 /nfs/dbraw/zinc/04/84/59/360048459.db2.gz ILIUDPLBKDPTTP-QWHCGFSZSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000093462344 360245709 /nfs/dbraw/zinc/24/57/09/360245709.db2.gz JCCLTYNJEBSOLX-ZIAGYGMSSA-N 3 1 241.423 1.839 20 0 BDADMP CC[C@@H](C)[C@@H]([NH2+]CC1CC[NH2+]CC1)C(=O)OC ZINC000094010053 360294104 /nfs/dbraw/zinc/29/41/04/360294104.db2.gz NXHHPZKDGJLYBC-ZYHUDNBSSA-N 2 1 242.363 1.163 20 0 BDADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000097928131 360382738 /nfs/dbraw/zinc/38/27/38/360382738.db2.gz VHLZMXIQTSRCKU-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(C)COC2)CC[N@H+]1C ZINC000156307568 360963778 /nfs/dbraw/zinc/96/37/78/360963778.db2.gz IHBDRLDVNRTTAW-GHMZBOCLSA-N 2 1 212.337 1.095 20 0 BDADMP CCn1nc(C[NH2+][C@H](C)CC[NH3+])c2ccccc21 ZINC000414895870 200776601 /nfs/dbraw/zinc/77/66/01/200776601.db2.gz NOZAGSPDWCLDOA-LLVKDONJSA-N 2 1 246.358 1.883 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000629407374 361056286 /nfs/dbraw/zinc/05/62/86/361056286.db2.gz ZKRGLYUWHCVYAU-TUKIKUTGSA-N 2 1 230.355 1.884 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000629509252 361103407 /nfs/dbraw/zinc/10/34/07/361103407.db2.gz KHIHNOGYLGOYJE-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000629509252 361103411 /nfs/dbraw/zinc/10/34/11/361103411.db2.gz KHIHNOGYLGOYJE-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1cncc(C[NH2+][C@@](C)(C[NH3+])C2CC2)c1 ZINC000629512578 361107453 /nfs/dbraw/zinc/10/74/53/361107453.db2.gz BFGYVKIYEMXSAF-ZDUSSCGKSA-N 2 1 219.332 1.607 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@@H]1C[NH2+]C)C1CC1 ZINC000629513975 361110993 /nfs/dbraw/zinc/11/09/93/361110993.db2.gz NPZOZGRCGVNQFU-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H]1C[NH2+]C)C1CC1 ZINC000629513975 361110998 /nfs/dbraw/zinc/11/09/98/361110998.db2.gz NPZOZGRCGVNQFU-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1cncc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000629520865 361116721 /nfs/dbraw/zinc/11/67/21/361116721.db2.gz YBXABVQFOXLLLX-UHFFFAOYSA-N 2 1 205.305 1.361 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000629527125 361129673 /nfs/dbraw/zinc/12/96/73/361129673.db2.gz KUYQIXLLAZNLSE-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629527743 361134296 /nfs/dbraw/zinc/13/42/96/361134296.db2.gz DMIOGUYHPYTSIX-ZYHUDNBSSA-N 2 1 234.347 1.223 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629527743 361134298 /nfs/dbraw/zinc/13/42/98/361134298.db2.gz DMIOGUYHPYTSIX-ZYHUDNBSSA-N 2 1 234.347 1.223 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)CCCC[NH3+] ZINC000629529105 361138382 /nfs/dbraw/zinc/13/83/82/361138382.db2.gz RTTWKHMDUKMUGS-SDDRHHMPSA-N 2 1 213.369 1.234 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000629532309 361151992 /nfs/dbraw/zinc/15/19/92/361151992.db2.gz UVKKJMIJNWKQRS-MGPQQGTHSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccnc1 ZINC000629522758 361123403 /nfs/dbraw/zinc/12/34/03/361123403.db2.gz AOBLIURALDBWSU-LLVKDONJSA-N 2 1 235.331 1.240 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000629524574 361124865 /nfs/dbraw/zinc/12/48/65/361124865.db2.gz SSJWWGJOZXRLDB-JHJVBQTASA-N 2 1 228.380 1.514 20 0 BDADMP Cc1nocc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000631218852 361181721 /nfs/dbraw/zinc/18/17/21/361181721.db2.gz IYXYAANQEZHVEI-GFCCVEGCSA-N 2 1 237.347 1.945 20 0 BDADMP COCCCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000158504328 361200571 /nfs/dbraw/zinc/20/05/71/361200571.db2.gz WZLNRDKHBZQDJA-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP COCCCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000158504328 361200576 /nfs/dbraw/zinc/20/05/76/361200576.db2.gz WZLNRDKHBZQDJA-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000579005276 366694654 /nfs/dbraw/zinc/69/46/54/366694654.db2.gz UGURLOVPAYJQMJ-MCIONIFRSA-N 2 1 241.423 1.966 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000428308460 201007475 /nfs/dbraw/zinc/00/74/75/201007475.db2.gz IMPBDINZTOHEMZ-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000428459678 201019508 /nfs/dbraw/zinc/01/95/08/201019508.db2.gz NEJRPNWDDSBAHW-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000622045134 370678799 /nfs/dbraw/zinc/67/87/99/370678799.db2.gz BYFLYPRDCYCVOM-ONGXEEELSA-N 2 1 222.336 1.198 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C1CC1 ZINC000629539307 361405007 /nfs/dbraw/zinc/40/50/07/361405007.db2.gz ZXRKFYAJBFMZCO-OIMNJJJWSA-N 2 1 240.391 1.778 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOCC2CC2)CC1 ZINC000429546662 201111851 /nfs/dbraw/zinc/11/18/51/201111851.db2.gz CRGJKAILEHWVRI-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOCC2CC2)CC1 ZINC000429546662 201111854 /nfs/dbraw/zinc/11/18/54/201111854.db2.gz CRGJKAILEHWVRI-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629544717 361423324 /nfs/dbraw/zinc/42/33/24/361423324.db2.gz LYULJVVGRUQFDI-RNJOBUHISA-N 2 1 240.391 1.919 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000629552987 361437913 /nfs/dbraw/zinc/43/79/13/361437913.db2.gz CFCRBJLKYDZIIQ-UTUOFQBUSA-N 2 1 226.364 1.530 20 0 BDADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000629553647 361438976 /nfs/dbraw/zinc/43/89/76/361438976.db2.gz CBMBLVIBGVELPO-LSDHHAIUSA-N 2 1 230.355 1.886 20 0 BDADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000629550619 361442999 /nfs/dbraw/zinc/44/29/99/361442999.db2.gz OWONWNZLUWUNOU-GARJFASQSA-N 2 1 230.302 1.858 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000629554659 361443903 /nfs/dbraw/zinc/44/39/03/361443903.db2.gz MKCHSFJZZZIFBB-MXWKQRLJSA-N 2 1 235.331 1.570 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC1CCCCC1 ZINC000629567354 361458305 /nfs/dbraw/zinc/45/83/05/361458305.db2.gz NMTUOIDBCLGJAP-UHFFFAOYSA-N 2 1 228.380 1.735 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC[C@H]1CCCCO1 ZINC000629570626 361460488 /nfs/dbraw/zinc/46/04/88/361460488.db2.gz ABFKJQCDHBNNIT-CYBMUJFWSA-N 2 1 244.379 1.113 20 0 BDADMP CCC(CC)C[N@@H+](C)CCOCC[NH2+]C ZINC000629572623 361463842 /nfs/dbraw/zinc/46/38/42/361463842.db2.gz ZLKLIHWRTIZIIZ-UHFFFAOYSA-N 2 1 216.369 1.590 20 0 BDADMP Cc1ccc(CC[N@@H+](C)CCOCC[NH3+])cc1 ZINC000629579275 361464359 /nfs/dbraw/zinc/46/43/59/361464359.db2.gz QKJBWIBLZBSRBU-UHFFFAOYSA-N 2 1 236.359 1.445 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430949309 201159141 /nfs/dbraw/zinc/15/91/41/201159141.db2.gz CBRCWQLTJUPJGX-JTQLQIEISA-N 2 1 223.320 1.326 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430949309 201159144 /nfs/dbraw/zinc/15/91/44/201159144.db2.gz CBRCWQLTJUPJGX-JTQLQIEISA-N 2 1 223.320 1.326 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])c(C)n1 ZINC000629581151 361471352 /nfs/dbraw/zinc/47/13/52/361471352.db2.gz OVGZJNLTHPIXGQ-UHFFFAOYSA-N 2 1 237.347 1.106 20 0 BDADMP C(C[N@H+]1CCCC2(CC2)CC1)N1CC[NH2+]CC1 ZINC000629586173 361475568 /nfs/dbraw/zinc/47/55/68/361475568.db2.gz MALXIVPTKBWLMJ-UHFFFAOYSA-N 2 1 237.391 1.158 20 0 BDADMP CC[C@H](C)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594996 361482367 /nfs/dbraw/zinc/48/23/67/361482367.db2.gz LGKLCVJZZCRHPF-RWMBFGLXSA-N 2 1 210.365 1.964 20 0 BDADMP C/C=C\C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629602377 361492841 /nfs/dbraw/zinc/49/28/41/361492841.db2.gz CXBJLSKYZQTZBD-JZIMQPMSSA-N 2 1 248.370 1.645 20 0 BDADMP C/C=C\C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000629602377 361492845 /nfs/dbraw/zinc/49/28/45/361492845.db2.gz CXBJLSKYZQTZBD-JZIMQPMSSA-N 2 1 248.370 1.645 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCF)CC[C@@H]1C(F)(F)F ZINC000629563361 361454633 /nfs/dbraw/zinc/45/46/33/361454633.db2.gz PKVORAMNVJSYNI-IUCAKERBSA-N 2 1 242.260 1.805 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC(F)(F)CC1 ZINC000629560107 361454683 /nfs/dbraw/zinc/45/46/83/361454683.db2.gz XGYXZXZHMTXSEW-SNVBAGLBSA-N 2 1 236.306 1.078 20 0 BDADMP CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561338 361456340 /nfs/dbraw/zinc/45/63/40/361456340.db2.gz ILSWGWYMEDFHDR-YUMQZZPRSA-N 2 1 210.243 1.465 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@H]1[NH3+] ZINC000629651792 361557562 /nfs/dbraw/zinc/55/75/62/361557562.db2.gz JQASNMREZQSPGR-ZYHUDNBSSA-N 2 1 207.321 1.194 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000629647233 361536577 /nfs/dbraw/zinc/53/65/77/361536577.db2.gz NONKBFWHJWHQJY-MJBXVCDLSA-N 2 1 233.359 1.584 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1ccncc1C ZINC000629647924 361539425 /nfs/dbraw/zinc/53/94/25/361539425.db2.gz KNPYNNQUZPJOFK-UHFFFAOYSA-N 2 1 221.348 1.997 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccncc1 ZINC000629656113 361561660 /nfs/dbraw/zinc/56/16/60/361561660.db2.gz NFXVADLEEFERNU-OUCADQQQSA-N 2 1 233.359 1.773 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629649225 361543580 /nfs/dbraw/zinc/54/35/80/361543580.db2.gz MMJAMDWEJKLXQR-HUUCEWRRSA-N 2 1 247.386 1.989 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccs1 ZINC000629653549 361553131 /nfs/dbraw/zinc/55/31/31/361553131.db2.gz PSZDZFXFTKFEEI-UHFFFAOYSA-N 2 1 228.361 1.416 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)COC ZINC000310001355 491159011 /nfs/dbraw/zinc/15/90/11/491159011.db2.gz DZDDEFDLESZWHO-STQMWFEESA-N 2 1 230.396 1.979 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)COC ZINC000310001355 491159012 /nfs/dbraw/zinc/15/90/12/491159012.db2.gz DZDDEFDLESZWHO-STQMWFEESA-N 2 1 230.396 1.979 20 0 BDADMP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000435374563 201264433 /nfs/dbraw/zinc/26/44/33/201264433.db2.gz QSTXYWQUMAWRRG-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000435374563 201264437 /nfs/dbraw/zinc/26/44/37/201264437.db2.gz QSTXYWQUMAWRRG-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP CCCC[N@@H+](C)CCNCc1cn(C)cn1 ZINC000310037091 491159784 /nfs/dbraw/zinc/15/97/84/491159784.db2.gz UUAKDFWEJCJKQZ-UHFFFAOYSA-N 2 1 224.352 1.242 20 0 BDADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250832571 181342145 /nfs/dbraw/zinc/34/21/45/181342145.db2.gz JQGWLUJHJUMXGQ-NWINJMCUSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250832571 181342149 /nfs/dbraw/zinc/34/21/49/181342149.db2.gz JQGWLUJHJUMXGQ-NWINJMCUSA-N 3 1 237.391 1.473 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000435626577 201279289 /nfs/dbraw/zinc/27/92/89/201279289.db2.gz OXKBLVGRDNFVGX-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000435877933 201292180 /nfs/dbraw/zinc/29/21/80/201292180.db2.gz WJUUCGKZQNBUCM-LBPRGKRZSA-N 2 1 222.336 1.546 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000435877933 201292183 /nfs/dbraw/zinc/29/21/83/201292183.db2.gz WJUUCGKZQNBUCM-LBPRGKRZSA-N 2 1 222.336 1.546 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc21 ZINC000132085958 181342886 /nfs/dbraw/zinc/34/28/86/181342886.db2.gz BIWBCXLRUHKBDH-FWFPMQDGSA-N 2 1 245.370 1.991 20 0 BDADMP [NH3+]C1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000036779625 181344048 /nfs/dbraw/zinc/34/40/48/181344048.db2.gz CSQJCSOBKIUPQA-UHFFFAOYSA-N 2 1 222.307 1.791 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C[NH2+]1 ZINC000398974870 364401887 /nfs/dbraw/zinc/40/18/87/364401887.db2.gz YINATEPZESDALC-JOYOIKCWSA-N 2 1 208.349 1.905 20 0 BDADMP CC[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000134998891 364422080 /nfs/dbraw/zinc/42/20/80/364422080.db2.gz QICHPWOLDDMQBD-LLVKDONJSA-N 2 1 223.320 1.008 20 0 BDADMP CN(C)c1cc(NC(=O)CC[NH2+]C2CC2)cc[nH+]1 ZINC000579492930 366831916 /nfs/dbraw/zinc/83/19/16/366831916.db2.gz UUDLYWXVZLZBAU-UHFFFAOYSA-N 2 1 248.330 1.228 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246513793 364599658 /nfs/dbraw/zinc/59/96/58/364599658.db2.gz UGUWOWOPXXZSDW-RWMBFGLXSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC[C@@H]2C)C[NH2+]1 ZINC000398994710 364666679 /nfs/dbraw/zinc/66/66/79/364666679.db2.gz NYJFYALVTUUGMT-USZNOCQGSA-N 2 1 212.337 1.142 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000573455263 364837939 /nfs/dbraw/zinc/83/79/39/364837939.db2.gz GKQFQAURZFOUKV-GXSJLCMTSA-N 2 1 237.347 1.857 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000573455263 364837945 /nfs/dbraw/zinc/83/79/45/364837945.db2.gz GKQFQAURZFOUKV-GXSJLCMTSA-N 2 1 237.347 1.857 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000574031245 364967749 /nfs/dbraw/zinc/96/77/49/364967749.db2.gz HNDNXOSMPHAKCG-OLZOCXBDSA-N 2 1 236.363 1.251 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC[C@H](C)C1 ZINC000574164482 364999757 /nfs/dbraw/zinc/99/97/57/364999757.db2.gz LHTVZHUHPLGZFW-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CO ZINC000574308214 365033692 /nfs/dbraw/zinc/03/36/92/365033692.db2.gz SIGDUYNOCAPLHZ-CHWSQXEVSA-N 2 1 220.316 1.148 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070914884 181409310 /nfs/dbraw/zinc/40/93/10/181409310.db2.gz GBODTJXZJSGCKT-SECBINFHSA-N 2 1 224.270 2.000 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058506 193012729 /nfs/dbraw/zinc/01/27/29/193012729.db2.gz KOVJLYCVFIXHJW-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000575740595 365347605 /nfs/dbraw/zinc/34/76/05/365347605.db2.gz DDWMCUVGZXENSK-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP Cc1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)co1 ZINC000310131341 541465100 /nfs/dbraw/zinc/46/51/00/541465100.db2.gz ALCZNRCMAAEFKU-VIFPVBQESA-N 2 1 223.320 1.542 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccnn1C ZINC000579701241 366983002 /nfs/dbraw/zinc/98/30/02/366983002.db2.gz QTELWCHNMWVBHE-SNVBAGLBSA-N 2 1 210.325 1.070 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)n2C)C1 ZINC000579974103 367110865 /nfs/dbraw/zinc/11/08/65/367110865.db2.gz WRNYTKYPZRXAPB-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)n2C)C1 ZINC000579974103 367110869 /nfs/dbraw/zinc/11/08/69/367110869.db2.gz WRNYTKYPZRXAPB-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(F)c1F ZINC000579928562 367085812 /nfs/dbraw/zinc/08/58/12/367085812.db2.gz NHKDNNXFJWMJFV-VIFPVBQESA-N 2 1 228.286 1.910 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000580963634 367220623 /nfs/dbraw/zinc/22/06/23/367220623.db2.gz VDDQLHKLHWDXDE-QWHCGFSZSA-N 3 1 236.363 1.441 20 0 BDADMP Cc1[nH+]ccn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580896232 367201948 /nfs/dbraw/zinc/20/19/48/367201948.db2.gz STNFRIWUGMHAHX-UHFFFAOYSA-N 2 1 227.311 1.886 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1CCS[C@@H](C)[C@@H]1C ZINC000381070296 367347091 /nfs/dbraw/zinc/34/70/91/367347091.db2.gz OBAYFRCOXKHGJN-SRVKXCTJSA-N 2 1 246.420 1.125 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000381070296 367347093 /nfs/dbraw/zinc/34/70/93/367347093.db2.gz OBAYFRCOXKHGJN-SRVKXCTJSA-N 2 1 246.420 1.125 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000381070296 367347097 /nfs/dbraw/zinc/34/70/97/367347097.db2.gz OBAYFRCOXKHGJN-SRVKXCTJSA-N 2 1 246.420 1.125 20 0 BDADMP CO[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000581199934 367294044 /nfs/dbraw/zinc/29/40/44/367294044.db2.gz AOEOSOXJGIDBCH-BETUJISGSA-N 2 1 237.347 1.462 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1 ZINC000581199934 367294048 /nfs/dbraw/zinc/29/40/48/367294048.db2.gz AOEOSOXJGIDBCH-BETUJISGSA-N 2 1 237.347 1.462 20 0 BDADMP CC[C@@H](CSC)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000380973989 367327433 /nfs/dbraw/zinc/32/74/33/367327433.db2.gz BBKGLIKOEHVKCQ-RYUDHWBXSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@@H](CSC)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000380973989 367327440 /nfs/dbraw/zinc/32/74/40/367327440.db2.gz BBKGLIKOEHVKCQ-RYUDHWBXSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@@H](CSC)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000380973989 367327445 /nfs/dbraw/zinc/32/74/45/367327445.db2.gz BBKGLIKOEHVKCQ-RYUDHWBXSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@@H](CSC)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000380973989 367327451 /nfs/dbraw/zinc/32/74/51/367327451.db2.gz BBKGLIKOEHVKCQ-RYUDHWBXSA-N 2 1 248.436 1.372 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)CCO1 ZINC000381378356 367390378 /nfs/dbraw/zinc/39/03/78/367390378.db2.gz JQZFYBMSSHLJPC-GHMZBOCLSA-N 2 1 223.320 1.120 20 0 BDADMP COC[C@H](C)C[NH2+]CCCn1cc[nH+]c1C ZINC000381461610 367410940 /nfs/dbraw/zinc/41/09/40/367410940.db2.gz LFNXSEGYGUSQLW-LLVKDONJSA-N 2 1 225.336 1.454 20 0 BDADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000381745158 367454348 /nfs/dbraw/zinc/45/43/48/367454348.db2.gz PWDVBEXTHIIRLC-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]1C[C@H](NCCC[NH2+]C2CC2)CC[N@H+]1C ZINC000382578453 367543049 /nfs/dbraw/zinc/54/30/49/367543049.db2.gz IMPIUHCNOMYUFQ-WCQYABFASA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000382384083 367513557 /nfs/dbraw/zinc/51/35/57/367513557.db2.gz KWUKGRHOVGOBNB-HZSPNIEDSA-N 2 1 240.391 1.741 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000383245298 367608201 /nfs/dbraw/zinc/60/82/01/367608201.db2.gz JJQMAZZHHRMRRO-LLVKDONJSA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000383245298 367608205 /nfs/dbraw/zinc/60/82/05/367608205.db2.gz JJQMAZZHHRMRRO-LLVKDONJSA-N 2 1 248.317 1.076 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000581618010 367638296 /nfs/dbraw/zinc/63/82/96/367638296.db2.gz NCALMWHPFIDRAE-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP CCCCN(C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000581618010 367638301 /nfs/dbraw/zinc/63/83/01/367638301.db2.gz NCALMWHPFIDRAE-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000383518723 367633546 /nfs/dbraw/zinc/63/35/46/367633546.db2.gz IIEREASEJREYSM-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP CCn1ccnc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000385347457 367820900 /nfs/dbraw/zinc/82/09/00/367820900.db2.gz NNFCCJHZGQZFJO-RYUDHWBXSA-N 2 1 236.363 1.510 20 0 BDADMP C(C[NH2+]C1CCSCC1)C[NH+]1CCC1 ZINC000581894381 367885597 /nfs/dbraw/zinc/88/55/97/367885597.db2.gz QXYOYYCLQHONDL-UHFFFAOYSA-N 2 1 214.378 1.567 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000386012157 367896969 /nfs/dbraw/zinc/89/69/69/367896969.db2.gz MVKMNGJPNPTNDX-GXTWGEPZSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCCN1 ZINC000386039357 367902153 /nfs/dbraw/zinc/90/21/53/367902153.db2.gz SJVKPKYWFFFOCI-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]CCc1ccccn1)[C@H]1CCCC[NH2+]1 ZINC000386546290 367989955 /nfs/dbraw/zinc/98/99/55/367989955.db2.gz FWHIXMIKUJVXLH-TZMCWYRMSA-N 2 1 233.359 1.744 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386560241 367991916 /nfs/dbraw/zinc/99/19/16/367991916.db2.gz IXLINWAGASNMSG-FIQHERPVSA-N 2 1 246.420 1.219 20 0 BDADMP CC[N@@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386575488 367994083 /nfs/dbraw/zinc/99/40/83/367994083.db2.gz NBHLPOKCNABZMG-RYUDHWBXSA-N 2 1 213.369 1.058 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537142 368175681 /nfs/dbraw/zinc/17/56/81/368175681.db2.gz XCYXGIUMRDSOJM-OLZOCXBDSA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)C(C)(C)C ZINC000399537142 368175687 /nfs/dbraw/zinc/17/56/87/368175687.db2.gz XCYXGIUMRDSOJM-OLZOCXBDSA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)C(C)(C)C ZINC000399537142 368175691 /nfs/dbraw/zinc/17/56/91/368175691.db2.gz XCYXGIUMRDSOJM-OLZOCXBDSA-N 2 1 244.423 1.913 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537142 368175696 /nfs/dbraw/zinc/17/56/96/368175696.db2.gz XCYXGIUMRDSOJM-OLZOCXBDSA-N 2 1 244.423 1.913 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537142 368175700 /nfs/dbraw/zinc/17/57/00/368175700.db2.gz XCYXGIUMRDSOJM-OLZOCXBDSA-N 2 1 244.423 1.913 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000252980167 368176792 /nfs/dbraw/zinc/17/67/92/368176792.db2.gz LDPMAQJAZRIYLB-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)O1 ZINC000253196854 368613122 /nfs/dbraw/zinc/61/31/22/368613122.db2.gz UDXGIRJMVKRDEN-UMSGYPCISA-N 2 1 226.364 1.471 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](NCC[NH+]2CCCCC2)C1 ZINC000086403687 368879845 /nfs/dbraw/zinc/87/98/45/368879845.db2.gz JBSXVYPGKVWMEN-CHWSQXEVSA-N 2 1 225.380 1.332 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403738 368880367 /nfs/dbraw/zinc/88/03/67/368880367.db2.gz CESWUKKBVMLPFO-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403738 368880370 /nfs/dbraw/zinc/88/03/70/368880370.db2.gz CESWUKKBVMLPFO-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403738 368880371 /nfs/dbraw/zinc/88/03/71/368880371.db2.gz CESWUKKBVMLPFO-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000086874076 368886241 /nfs/dbraw/zinc/88/62/41/368886241.db2.gz LTIRHYOKNSVPJE-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC000087459897 368893989 /nfs/dbraw/zinc/89/39/89/368893989.db2.gz JRPGWWYFXCTSPY-STQMWFEESA-N 2 1 238.375 1.508 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000087459897 368893995 /nfs/dbraw/zinc/89/39/95/368893995.db2.gz JRPGWWYFXCTSPY-STQMWFEESA-N 2 1 238.375 1.508 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000623655167 368989776 /nfs/dbraw/zinc/98/97/76/368989776.db2.gz PZGJGCMXJNCTEA-AWEZNQCLSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000623655167 368989777 /nfs/dbraw/zinc/98/97/77/368989777.db2.gz PZGJGCMXJNCTEA-AWEZNQCLSA-N 2 1 233.359 1.903 20 0 BDADMP Cn1nccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656253 368992721 /nfs/dbraw/zinc/99/27/21/368992721.db2.gz QBEBDCFVSZTBDU-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1nccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656253 368992724 /nfs/dbraw/zinc/99/27/24/368992724.db2.gz QBEBDCFVSZTBDU-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000631838189 369119821 /nfs/dbraw/zinc/11/98/21/369119821.db2.gz KHLFIITZNQJKLN-TZMCWYRMSA-N 2 1 247.386 1.779 20 0 BDADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000459415044 203277849 /nfs/dbraw/zinc/27/78/49/203277849.db2.gz ZJRPODQAHAINFP-OLZOCXBDSA-N 2 1 237.347 1.510 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1C[C@H]1C ZINC000401676532 369369606 /nfs/dbraw/zinc/36/96/06/369369606.db2.gz ONFYOSCAGCGUKZ-RTXFEEFZSA-N 2 1 221.348 1.987 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cscn2)C1 ZINC000459727983 203344831 /nfs/dbraw/zinc/34/48/31/203344831.db2.gz HWKHJAOBYPWATO-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP COCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459782806 203367303 /nfs/dbraw/zinc/36/73/03/203367303.db2.gz NAGFSCNMNIVKOH-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459791004 203370177 /nfs/dbraw/zinc/37/01/77/203370177.db2.gz RLCMJZKPQSGMOW-JHJVBQTASA-N 2 1 210.365 1.964 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252979703 370144124 /nfs/dbraw/zinc/14/41/24/370144124.db2.gz JBSDDOPVLWJQGE-FPMFFAJLSA-N 2 1 248.374 1.462 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000309805197 370263516 /nfs/dbraw/zinc/26/35/16/370263516.db2.gz RZALYVBQYPKAIV-SRVKXCTJSA-N 2 1 208.349 1.846 20 0 BDADMP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccn1 ZINC000621774152 370519608 /nfs/dbraw/zinc/51/96/08/370519608.db2.gz LTIRXEPJQZDQEO-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccn1 ZINC000621774152 370519610 /nfs/dbraw/zinc/51/96/10/370519610.db2.gz LTIRXEPJQZDQEO-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Cc1nccnc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000621729049 370480105 /nfs/dbraw/zinc/48/01/05/370480105.db2.gz HCTLJMHBABOYLJ-CQSZACIVSA-N 2 1 246.358 1.313 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000621775056 370521326 /nfs/dbraw/zinc/52/13/26/370521326.db2.gz FCKQMOCYODDTCF-CQSZACIVSA-N 2 1 248.374 1.131 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000621775768 370523017 /nfs/dbraw/zinc/52/30/17/370523017.db2.gz YMPPQEZEXWBRSF-AWEZNQCLSA-N 2 1 248.374 1.131 20 0 BDADMP CN1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776576 370526039 /nfs/dbraw/zinc/52/60/39/370526039.db2.gz PEGFCPZDYMHCSE-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631050214 371097453 /nfs/dbraw/zinc/09/74/53/371097453.db2.gz VVYDGMRDHOWWBK-ZDUSSCGKSA-N 2 1 249.358 1.609 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@]2(C)CO)CC[NH2+]1 ZINC000569199962 326394449 /nfs/dbraw/zinc/39/44/49/326394449.db2.gz DDLQPYRTCAYQHD-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@](C)(CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623946922 371173356 /nfs/dbraw/zinc/17/33/56/371173356.db2.gz MOOHPHVFNBSZJS-AAEUAGOBSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCCO1 ZINC000623963677 371200421 /nfs/dbraw/zinc/20/04/21/371200421.db2.gz MNCBEZYCVBLNCI-DGCLKSJQSA-N 2 1 237.347 1.510 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccnc(C)c2)C1 ZINC000391332375 371286530 /nfs/dbraw/zinc/28/65/30/371286530.db2.gz VBHSTLNZSQYZTA-CYBMUJFWSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000391332375 371286532 /nfs/dbraw/zinc/28/65/32/371286532.db2.gz VBHSTLNZSQYZTA-CYBMUJFWSA-N 2 1 219.332 1.431 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccn1 ZINC000391200584 371277663 /nfs/dbraw/zinc/27/76/63/371277663.db2.gz CEEYSGYMGPUADT-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccn1 ZINC000391200584 371277671 /nfs/dbraw/zinc/27/76/71/371277671.db2.gz CEEYSGYMGPUADT-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn[nH]c1 ZINC000624212017 371397800 /nfs/dbraw/zinc/39/78/00/371397800.db2.gz NDOYOWUKVIACDH-LBPRGKRZSA-N 2 1 236.363 1.764 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn[nH]c1 ZINC000624212017 371397803 /nfs/dbraw/zinc/39/78/03/371397803.db2.gz NDOYOWUKVIACDH-LBPRGKRZSA-N 2 1 236.363 1.764 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000624218832 371407312 /nfs/dbraw/zinc/40/73/12/371407312.db2.gz CKMKAZWPJCMZFG-WUHRBBMRSA-N 2 1 226.364 1.077 20 0 BDADMP CO[C@@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@@H]1C ZINC000230310985 371888748 /nfs/dbraw/zinc/88/87/48/371888748.db2.gz QDZUJMFRRGTMMC-VHSXEESVSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@@H]1C ZINC000230310985 371888757 /nfs/dbraw/zinc/88/87/57/371888757.db2.gz QDZUJMFRRGTMMC-VHSXEESVSA-N 2 1 200.326 1.081 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3c2CCOC3)CCC1 ZINC000631824157 372602221 /nfs/dbraw/zinc/60/22/21/372602221.db2.gz XSCGMKDKMMLIDK-UHFFFAOYSA-N 2 1 246.354 1.730 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000631821112 372595577 /nfs/dbraw/zinc/59/55/77/372595577.db2.gz PGQVHRMIVMVSBS-GHMZBOCLSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000631827836 372607914 /nfs/dbraw/zinc/60/79/14/372607914.db2.gz XTARFWQPDZRXNI-RVMXOQNASA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000631827836 372607917 /nfs/dbraw/zinc/60/79/17/372607917.db2.gz XTARFWQPDZRXNI-RVMXOQNASA-N 2 1 224.348 1.095 20 0 BDADMP Cc1nccnc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000631828101 372609600 /nfs/dbraw/zinc/60/96/00/372609600.db2.gz FFRARBWAOFCEJZ-GVXVVHGQSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000631828101 372609605 /nfs/dbraw/zinc/60/96/05/372609605.db2.gz FFRARBWAOFCEJZ-GVXVVHGQSA-N 2 1 248.374 1.590 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000631829272 372610462 /nfs/dbraw/zinc/61/04/62/372610462.db2.gz MJBWJGWBMNPGHR-UWVGGRQHSA-N 2 1 200.326 1.081 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@H+](CCc2cccnc2)C1 ZINC000631833549 372617962 /nfs/dbraw/zinc/61/79/62/372617962.db2.gz CQPMSKZXPWWZQC-CQSZACIVSA-N 2 1 233.359 1.827 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@@H+](CCc2cccnc2)C1 ZINC000631833549 372617969 /nfs/dbraw/zinc/61/79/69/372617969.db2.gz CQPMSKZXPWWZQC-CQSZACIVSA-N 2 1 233.359 1.827 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836889 372625404 /nfs/dbraw/zinc/62/54/04/372625404.db2.gz IPJVBNVXVQCSHA-TZMCWYRMSA-N 2 1 218.344 1.756 20 0 BDADMP C[C@H]1C[N@@H+](CCCc2ccncc2)C[C@H]1C[NH3+] ZINC000631837969 372628698 /nfs/dbraw/zinc/62/86/98/372628698.db2.gz HXFPEZKJRWTNGH-GXTWGEPZSA-N 2 1 233.359 1.541 20 0 BDADMP COCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841181 372638467 /nfs/dbraw/zinc/63/84/67/372638467.db2.gz ZIAJAUWVGWSEIP-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP CCCCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842241 372641290 /nfs/dbraw/zinc/64/12/90/372641290.db2.gz XKSLLMTXYADUND-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842645 372641704 /nfs/dbraw/zinc/64/17/04/372641704.db2.gz CZNASGPBJWVEIJ-LDYMZIIASA-N 2 1 223.320 1.318 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000631826919 372605403 /nfs/dbraw/zinc/60/54/03/372605403.db2.gz ZXKQRMRVWKPWMQ-LBPRGKRZSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1nccnc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000631826919 372605406 /nfs/dbraw/zinc/60/54/06/372605406.db2.gz ZXKQRMRVWKPWMQ-LBPRGKRZSA-N 2 1 234.347 1.488 20 0 BDADMP C([C@@H]1CCOC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886539 372682109 /nfs/dbraw/zinc/68/21/09/372682109.db2.gz IKRNQHOMDJGIBE-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886539 372682112 /nfs/dbraw/zinc/68/21/12/372682112.db2.gz IKRNQHOMDJGIBE-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890038 372685333 /nfs/dbraw/zinc/68/53/33/372685333.db2.gz LVPBDKBUNUHVAY-UKRRQHHQSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890038 372685335 /nfs/dbraw/zinc/68/53/35/372685335.db2.gz LVPBDKBUNUHVAY-UKRRQHHQSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890037 372685342 /nfs/dbraw/zinc/68/53/42/372685342.db2.gz LVPBDKBUNUHVAY-HIFRSBDPSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890037 372685346 /nfs/dbraw/zinc/68/53/46/372685346.db2.gz LVPBDKBUNUHVAY-HIFRSBDPSA-N 2 1 245.370 1.964 20 0 BDADMP FCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891130 372687122 /nfs/dbraw/zinc/68/71/22/372687122.db2.gz WDHSFMQTZTVAFX-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP FCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891130 372687124 /nfs/dbraw/zinc/68/71/24/372687124.db2.gz WDHSFMQTZTVAFX-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H]2CN)cc1 ZINC000039068427 372859477 /nfs/dbraw/zinc/85/94/77/372859477.db2.gz GFWPKIGVTOKZON-CYBMUJFWSA-N 2 1 204.317 1.918 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000414921191 205784975 /nfs/dbraw/zinc/78/49/75/205784975.db2.gz DGGLXDULBXYVFW-OUAUKWLOSA-N 2 1 214.378 1.327 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459735852 206014167 /nfs/dbraw/zinc/01/41/67/206014167.db2.gz PVUZFGKCWNAEMY-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000424328850 206037113 /nfs/dbraw/zinc/03/71/13/206037113.db2.gz RACFKRABAYWVRL-WISYIIOYSA-N 2 1 208.349 1.857 20 0 BDADMP OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000124701094 183029758 /nfs/dbraw/zinc/02/97/58/183029758.db2.gz RIEWSGCEPYJZJY-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP O=C1NCCC[C@@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328651789 183024219 /nfs/dbraw/zinc/02/42/19/183024219.db2.gz JUDHOOXHWILBQH-NSHDSACASA-N 2 1 248.330 1.708 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCC)CC1 ZINC000037619286 169006571 /nfs/dbraw/zinc/00/65/71/169006571.db2.gz DJYGJSJKADEQFK-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP OC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132258172 183109016 /nfs/dbraw/zinc/10/90/16/183109016.db2.gz LRTLEFDXKDOVKW-GXTWGEPZSA-N 2 1 234.343 1.309 20 0 BDADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCOC2)C1 ZINC000336662535 169078681 /nfs/dbraw/zinc/07/86/81/169078681.db2.gz CIRDLBXBFAMQBG-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCOC2)C1 ZINC000336662535 169078683 /nfs/dbraw/zinc/07/86/83/169078683.db2.gz CIRDLBXBFAMQBG-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000336662535 169078684 /nfs/dbraw/zinc/07/86/84/169078684.db2.gz CIRDLBXBFAMQBG-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCOC2)C1 ZINC000336662535 169078686 /nfs/dbraw/zinc/07/86/86/169078686.db2.gz CIRDLBXBFAMQBG-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCOC2)C1 ZINC000336662534 169078823 /nfs/dbraw/zinc/07/88/23/169078823.db2.gz CIRDLBXBFAMQBG-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCOC2)C1 ZINC000336662534 169078826 /nfs/dbraw/zinc/07/88/26/169078826.db2.gz CIRDLBXBFAMQBG-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000336662534 169078829 /nfs/dbraw/zinc/07/88/29/169078829.db2.gz CIRDLBXBFAMQBG-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 ZINC000336662534 169078831 /nfs/dbraw/zinc/07/88/31/169078831.db2.gz CIRDLBXBFAMQBG-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC)C1 ZINC000304707766 169079464 /nfs/dbraw/zinc/07/94/64/169079464.db2.gz LCOZQQKEEJOERJ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC)C1 ZINC000304707766 169079466 /nfs/dbraw/zinc/07/94/66/169079466.db2.gz LCOZQQKEEJOERJ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC)C1 ZINC000304707766 169079468 /nfs/dbraw/zinc/07/94/68/169079468.db2.gz LCOZQQKEEJOERJ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226407528 169121547 /nfs/dbraw/zinc/12/15/47/169121547.db2.gz WDAMHGFTYJUXKB-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000361967422 169123353 /nfs/dbraw/zinc/12/33/53/169123353.db2.gz UCSIHKNYUFXXSP-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000361967422 169123355 /nfs/dbraw/zinc/12/33/55/169123355.db2.gz UCSIHKNYUFXXSP-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361967422 169123356 /nfs/dbraw/zinc/12/33/56/169123356.db2.gz UCSIHKNYUFXXSP-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000353485823 169126353 /nfs/dbraw/zinc/12/63/53/169126353.db2.gz VHPXWIHXPOSBFE-IYXRBSQSSA-N 2 1 242.407 2.000 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000353485823 169126354 /nfs/dbraw/zinc/12/63/54/169126354.db2.gz VHPXWIHXPOSBFE-IYXRBSQSSA-N 2 1 242.407 2.000 20 0 BDADMP CCC[N@@H+](CCOCCOC)C1CC[NH2+]CC1 ZINC000070481614 169169251 /nfs/dbraw/zinc/16/92/51/169169251.db2.gz LGLHMFHCYDTJQJ-UHFFFAOYSA-N 2 1 244.379 1.113 20 0 BDADMP c1[nH]nc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000333234857 183320700 /nfs/dbraw/zinc/32/07/00/183320700.db2.gz CVHAWEYMLGWHQH-NEPJUHHUSA-N 2 1 234.347 1.519 20 0 BDADMP CCCN1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000045662963 169188532 /nfs/dbraw/zinc/18/85/32/169188532.db2.gz QLDDAIILVKHUNE-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP CCC[NH+]1CCC(NCC[N@@H+](C)CC)CC1 ZINC000054109775 169188619 /nfs/dbraw/zinc/18/86/19/169188619.db2.gz UCUQAIMJDRNCGQ-UHFFFAOYSA-N 2 1 227.396 1.402 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCOCC1 ZINC000309909898 169200068 /nfs/dbraw/zinc/20/00/68/169200068.db2.gz MARKLTPUYFZZRC-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCOCC1 ZINC000309909898 169200069 /nfs/dbraw/zinc/20/00/69/169200069.db2.gz MARKLTPUYFZZRC-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1=CCCOC1 ZINC000353118054 169200242 /nfs/dbraw/zinc/20/02/42/169200242.db2.gz KQULEZVMONCQHB-AWEZNQCLSA-N 2 1 238.375 1.797 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1=CCCOC1 ZINC000353118054 169200244 /nfs/dbraw/zinc/20/02/44/169200244.db2.gz KQULEZVMONCQHB-AWEZNQCLSA-N 2 1 238.375 1.797 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340205448 169206571 /nfs/dbraw/zinc/20/65/71/169206571.db2.gz XLRPLHCBTBMFGD-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(OC)C2)C1 ZINC000309983327 169207237 /nfs/dbraw/zinc/20/72/37/169207237.db2.gz XFXGAFFTVMEECU-HIFPTAJRSA-N 2 1 226.364 1.485 20 0 BDADMP c1cc2c(c(C[NH2+]C[C@@H]3CCC[NH2+]C3)c1)OCO2 ZINC000132219172 183350065 /nfs/dbraw/zinc/35/00/65/183350065.db2.gz XPQPAVFBYHNCKS-LLVKDONJSA-N 2 1 248.326 1.505 20 0 BDADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000038040786 183372305 /nfs/dbraw/zinc/37/23/05/183372305.db2.gz LUCOXEKSHDRZKV-LBPRGKRZSA-N 2 1 220.316 1.999 20 0 BDADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+](C)CC ZINC000353758970 169399109 /nfs/dbraw/zinc/39/91/09/169399109.db2.gz LNQKYJILVJXPLS-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000222791859 134334267 /nfs/dbraw/zinc/33/42/67/134334267.db2.gz MBVIMNSXNKLOCU-CYDGBPFRSA-N 2 1 210.365 1.962 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000223645492 134341137 /nfs/dbraw/zinc/34/11/37/134341137.db2.gz GIOJVDYANHRWAO-RWMBFGLXSA-N 2 1 228.380 1.323 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC)C2(C)C)CC1 ZINC000224533718 134348377 /nfs/dbraw/zinc/34/83/77/134348377.db2.gz KRLJHKXICCIBRX-OLZOCXBDSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000301010909 383843138 /nfs/dbraw/zinc/84/31/38/383843138.db2.gz XPLAAMRJRCCAAI-MNOVXSKESA-N 2 1 232.318 1.963 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCOC1)C2 ZINC000643611308 383929356 /nfs/dbraw/zinc/92/93/56/383929356.db2.gz JFOYBJKGKQLLBJ-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCOC1)C2 ZINC000643611308 383929361 /nfs/dbraw/zinc/92/93/61/383929361.db2.gz JFOYBJKGKQLLBJ-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCOC1)C2 ZINC000643611308 383929366 /nfs/dbraw/zinc/92/93/66/383929366.db2.gz JFOYBJKGKQLLBJ-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401736624 383886947 /nfs/dbraw/zinc/88/69/47/383886947.db2.gz YWXWNSFDNIGFIR-KOLCDFICSA-N 2 1 225.361 1.304 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)O ZINC000394020252 384002108 /nfs/dbraw/zinc/00/21/08/384002108.db2.gz MRUSGNJBBPHNEM-ZDUSSCGKSA-N 2 1 240.391 1.752 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152700724 383999095 /nfs/dbraw/zinc/99/90/95/383999095.db2.gz MCIPNWTVVYUXSN-QJPTWQEYSA-N 2 1 214.353 1.484 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152700724 383999102 /nfs/dbraw/zinc/99/91/02/383999102.db2.gz MCIPNWTVVYUXSN-QJPTWQEYSA-N 2 1 214.353 1.484 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)CC ZINC000313140714 383937327 /nfs/dbraw/zinc/93/73/27/383937327.db2.gz HOTXGVOPOFMMOI-NEPJUHHUSA-N 2 1 214.353 1.220 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070912010 383959906 /nfs/dbraw/zinc/95/99/06/383959906.db2.gz UKRLMLIMHRCOGU-MRVPVSSYSA-N 2 1 210.243 1.610 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070912010 383959909 /nfs/dbraw/zinc/95/99/09/383959909.db2.gz UKRLMLIMHRCOGU-MRVPVSSYSA-N 2 1 210.243 1.610 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546760 384016874 /nfs/dbraw/zinc/01/68/74/384016874.db2.gz UNQZLSVPRYLOEF-UPJWGTAASA-N 2 1 237.391 1.201 20 0 BDADMP Cc1ccc(NC(=O)C[NH+](C)C)c(C[NH+](C)C)c1 ZINC000113989052 384019837 /nfs/dbraw/zinc/01/98/37/384019837.db2.gz MDNQPWBPXTUOGV-UHFFFAOYSA-N 2 1 249.358 1.557 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363656161 384025368 /nfs/dbraw/zinc/02/53/68/384025368.db2.gz JJYGOIXHYLDRCU-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545528 384008230 /nfs/dbraw/zinc/00/82/30/384008230.db2.gz RPAMLOOEJIVNQL-SNVBAGLBSA-N 2 1 234.347 1.679 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401838317 384098298 /nfs/dbraw/zinc/09/82/98/384098298.db2.gz MKBXWCKNIQRAST-VXGBXAGGSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000163205949 384164632 /nfs/dbraw/zinc/16/46/32/384164632.db2.gz UWJSIAYIXWCVSO-OLZOCXBDSA-N 2 1 234.343 1.735 20 0 BDADMP CC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380702 384193606 /nfs/dbraw/zinc/19/36/06/384193606.db2.gz JMWZVKUDQLJDQP-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380702 384193609 /nfs/dbraw/zinc/19/36/09/384193609.db2.gz JMWZVKUDQLJDQP-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000228471446 384253038 /nfs/dbraw/zinc/25/30/38/384253038.db2.gz PLVZZJICBWFQJI-MGPQQGTHSA-N 2 1 231.343 1.641 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C)C2)[C@H](C)C1 ZINC000566216248 384253742 /nfs/dbraw/zinc/25/37/42/384253742.db2.gz XDIOLUBRNQEHKK-VOAKCMCISA-N 2 1 226.364 1.484 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCC2)CCCO1 ZINC000313348365 384276681 /nfs/dbraw/zinc/27/66/81/384276681.db2.gz SWYCFTFIHCXNTC-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cn1 ZINC000335479726 384297010 /nfs/dbraw/zinc/29/70/10/384297010.db2.gz XAXCSGVIBHXTHD-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000335479726 384297016 /nfs/dbraw/zinc/29/70/16/384297016.db2.gz XAXCSGVIBHXTHD-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335571630 384335386 /nfs/dbraw/zinc/33/53/86/384335386.db2.gz QHHDVLIENWCSOO-STQMWFEESA-N 2 1 226.364 1.031 20 0 BDADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc1 ZINC000647509850 384345993 /nfs/dbraw/zinc/34/59/93/384345993.db2.gz GYISPCQXIPYOSR-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc1 ZINC000647509850 384345998 /nfs/dbraw/zinc/34/59/98/384345998.db2.gz GYISPCQXIPYOSR-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1nccs1 ZINC000120585718 384364091 /nfs/dbraw/zinc/36/40/91/384364091.db2.gz TYLQPYVWBXWAGQ-SNVBAGLBSA-N 2 1 239.388 1.930 20 0 BDADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000095069840 384334494 /nfs/dbraw/zinc/33/44/94/384334494.db2.gz QYEILNCZKVITGJ-SNVBAGLBSA-N 2 1 239.750 1.824 20 0 BDADMP CSCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054453 384393615 /nfs/dbraw/zinc/39/36/15/384393615.db2.gz JKDYQJRAWWESGN-UHFFFAOYSA-N 2 1 228.405 1.956 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647172751 384426116 /nfs/dbraw/zinc/42/61/16/384426116.db2.gz HQKQTGCIOBQZDN-CMPLNLGQSA-N 2 1 223.320 1.349 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647172753 384426847 /nfs/dbraw/zinc/42/68/47/384426847.db2.gz HQKQTGCIOBQZDN-PWSUYJOCSA-N 2 1 223.320 1.349 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000229600089 384384606 /nfs/dbraw/zinc/38/46/06/384384606.db2.gz GDZHSXZMRVPHJU-AGIUHOORSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)OC)[C@H](C)C1 ZINC000175729577 384483698 /nfs/dbraw/zinc/48/36/98/384483698.db2.gz JUFHUZQYTQMTHF-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCO2)[C@@H](C)C1 ZINC000449439362 384497700 /nfs/dbraw/zinc/49/77/00/384497700.db2.gz VEKWWMHJTALQDO-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP FC(F)O[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000647518632 384508652 /nfs/dbraw/zinc/50/86/52/384508652.db2.gz UPDWVASAMUMPSO-LLVKDONJSA-N 2 1 248.317 1.690 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000334420506 384492650 /nfs/dbraw/zinc/49/26/50/384492650.db2.gz SWVWDCPROUCGNW-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCCCC1 ZINC000150295977 384494573 /nfs/dbraw/zinc/49/45/73/384494573.db2.gz GVKXLSJPTRUKLX-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP COC(=O)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000141313254 384554662 /nfs/dbraw/zinc/55/46/62/384554662.db2.gz KBJSCEJLQUGMHA-LBPRGKRZSA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428033712 384559596 /nfs/dbraw/zinc/55/95/96/384559596.db2.gz MTYLXNOYOXAAEM-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428033712 384559603 /nfs/dbraw/zinc/55/96/03/384559603.db2.gz MTYLXNOYOXAAEM-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000372997749 384537173 /nfs/dbraw/zinc/53/71/73/384537173.db2.gz GOGCVWXZTBBXFC-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)COC1 ZINC000309835246 384654547 /nfs/dbraw/zinc/65/45/47/384654547.db2.gz AYCXUZQNRRQXDM-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCCOCC1 ZINC000300358572 384686684 /nfs/dbraw/zinc/68/66/84/384686684.db2.gz IOXYXEXQDQXYBQ-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCOCC1 ZINC000300358572 384686691 /nfs/dbraw/zinc/68/66/91/384686691.db2.gz IOXYXEXQDQXYBQ-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000173525664 384690125 /nfs/dbraw/zinc/69/01/25/384690125.db2.gz QLYVITMIJBGUAO-VXGBXAGGSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173525664 384690138 /nfs/dbraw/zinc/69/01/38/384690138.db2.gz QLYVITMIJBGUAO-VXGBXAGGSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173525664 384690142 /nfs/dbraw/zinc/69/01/42/384690142.db2.gz QLYVITMIJBGUAO-VXGBXAGGSA-N 2 1 242.363 1.354 20 0 BDADMP COCCOCC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315960427 384720795 /nfs/dbraw/zinc/72/07/95/384720795.db2.gz WYFARVXCNSQANF-UPJWGTAASA-N 2 1 244.379 1.097 20 0 BDADMP COCCOCC[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315960427 384720802 /nfs/dbraw/zinc/72/08/02/384720802.db2.gz WYFARVXCNSQANF-UPJWGTAASA-N 2 1 244.379 1.097 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000449094431 384722843 /nfs/dbraw/zinc/72/28/43/384722843.db2.gz RXROJPXUDDMRNB-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP FCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334994990 384774846 /nfs/dbraw/zinc/77/48/46/384774846.db2.gz XRDORZMUZNHBTL-NSHDSACASA-N 2 1 200.301 1.422 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ncc[nH]2)C1 ZINC000173903005 384732313 /nfs/dbraw/zinc/73/23/13/384732313.db2.gz JESVHQVVMBPSMZ-NSHDSACASA-N 2 1 222.336 1.183 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)nc1 ZINC000334856735 384745355 /nfs/dbraw/zinc/74/53/55/384745355.db2.gz KDNMLYYEYRXEPM-AAEUAGOBSA-N 2 1 219.332 1.478 20 0 BDADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccccc1 ZINC000125897155 384754492 /nfs/dbraw/zinc/75/44/92/384754492.db2.gz PLFMFIAUGPNUIP-CYBMUJFWSA-N 2 1 222.332 1.089 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2c(s1)CCC2 ZINC000647552354 384758251 /nfs/dbraw/zinc/75/82/51/384758251.db2.gz UGDBLKZNQDRECE-DTWKUNHWSA-N 2 1 239.388 1.847 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000156125530 384815758 /nfs/dbraw/zinc/81/57/58/384815758.db2.gz HXGPRGUKLQDBHS-VXGBXAGGSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156125530 384815766 /nfs/dbraw/zinc/81/57/66/384815766.db2.gz HXGPRGUKLQDBHS-VXGBXAGGSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156125530 384815771 /nfs/dbraw/zinc/81/57/71/384815771.db2.gz HXGPRGUKLQDBHS-VXGBXAGGSA-N 2 1 213.369 1.010 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300231969 384828031 /nfs/dbraw/zinc/82/80/31/384828031.db2.gz JIHRHXSBPQNBBY-VXGBXAGGSA-N 2 1 228.405 1.671 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000301013881 384828217 /nfs/dbraw/zinc/82/82/17/384828217.db2.gz ORZTWVSJRHLGPG-JTQLQIEISA-N 2 1 214.353 1.484 20 0 BDADMP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000335044345 384781428 /nfs/dbraw/zinc/78/14/28/384781428.db2.gz YGSBWDUEAMLFRM-IAQYHMDHSA-N 2 1 230.355 1.884 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306818986 384835743 /nfs/dbraw/zinc/83/57/43/384835743.db2.gz FLEDFQYEVUNBOI-MXWKQRLJSA-N 2 1 212.362 1.033 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306818986 384835756 /nfs/dbraw/zinc/83/57/56/384835756.db2.gz FLEDFQYEVUNBOI-MXWKQRLJSA-N 2 1 212.362 1.033 20 0 BDADMP C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH3+] ZINC000042437254 384795079 /nfs/dbraw/zinc/79/50/79/384795079.db2.gz QBAKWTIGDATEGO-LLVKDONJSA-N 2 1 228.723 1.091 20 0 BDADMP C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH3+] ZINC000042437254 384795082 /nfs/dbraw/zinc/79/50/82/384795082.db2.gz QBAKWTIGDATEGO-LLVKDONJSA-N 2 1 228.723 1.091 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375661832 384808821 /nfs/dbraw/zinc/80/88/21/384808821.db2.gz WTAFJBQHZUYNGF-STQMWFEESA-N 2 1 248.374 1.445 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375661832 384808826 /nfs/dbraw/zinc/80/88/26/384808826.db2.gz WTAFJBQHZUYNGF-STQMWFEESA-N 2 1 248.374 1.445 20 0 BDADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccco1 ZINC000106485468 384921085 /nfs/dbraw/zinc/92/10/85/384921085.db2.gz VTASRYZOSAQERD-LBPRGKRZSA-N 2 1 237.347 1.005 20 0 BDADMP CC1(C)CCC[C@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000566230469 384967124 /nfs/dbraw/zinc/96/71/24/384967124.db2.gz DCLOVVXVMFLWRF-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP CC1(C)CCC[C@H](C[N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000566230469 384967130 /nfs/dbraw/zinc/96/71/30/384967130.db2.gz DCLOVVXVMFLWRF-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP CSC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249487515 384990389 /nfs/dbraw/zinc/99/03/89/384990389.db2.gz XKZRZIXKOGZODC-SDDRHHMPSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000249487515 384990394 /nfs/dbraw/zinc/99/03/94/384990394.db2.gz XKZRZIXKOGZODC-SDDRHHMPSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249487515 384990400 /nfs/dbraw/zinc/99/04/00/384990400.db2.gz XKZRZIXKOGZODC-SDDRHHMPSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249487515 384990406 /nfs/dbraw/zinc/99/04/06/384990406.db2.gz XKZRZIXKOGZODC-SDDRHHMPSA-N 2 1 246.420 1.125 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000226398178 385008862 /nfs/dbraw/zinc/00/88/62/385008862.db2.gz LPCNMDHMVCPNIL-CYBMUJFWSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C)C1CC1 ZINC000310433828 385054008 /nfs/dbraw/zinc/05/40/08/385054008.db2.gz TZVMTSKWBJZITE-QWHCGFSZSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C)C1CC1 ZINC000310433828 385054019 /nfs/dbraw/zinc/05/40/19/385054019.db2.gz TZVMTSKWBJZITE-QWHCGFSZSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000303986820 385073708 /nfs/dbraw/zinc/07/37/08/385073708.db2.gz IWQVULYUWTXDJG-UHFFFAOYSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000404512811 385024513 /nfs/dbraw/zinc/02/45/13/385024513.db2.gz RZCQSWMGMFHTAH-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000404512811 385024522 /nfs/dbraw/zinc/02/45/22/385024522.db2.gz RZCQSWMGMFHTAH-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000518753915 385108091 /nfs/dbraw/zinc/10/80/91/385108091.db2.gz WUYHYCBTCWGOLK-QWHCGFSZSA-N 2 1 227.396 1.306 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000518753915 385108094 /nfs/dbraw/zinc/10/80/94/385108094.db2.gz WUYHYCBTCWGOLK-QWHCGFSZSA-N 3 1 227.396 1.306 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000518753915 385108101 /nfs/dbraw/zinc/10/81/01/385108101.db2.gz WUYHYCBTCWGOLK-QWHCGFSZSA-N 3 1 227.396 1.306 20 0 BDADMP C[N@@H+](CCOC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000566246086 385130296 /nfs/dbraw/zinc/13/02/96/385130296.db2.gz DIUBPJPHZONGGM-LBPRGKRZSA-N 2 1 244.379 1.099 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000644669253 385087464 /nfs/dbraw/zinc/08/74/64/385087464.db2.gz OJPWQOCIMXHOCR-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000306557817 385088846 /nfs/dbraw/zinc/08/88/46/385088846.db2.gz JLTWNSHHLRJZOK-GXSJLCMTSA-N 2 1 200.301 1.561 20 0 BDADMP CCCCN1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000310534514 385101187 /nfs/dbraw/zinc/10/11/87/385101187.db2.gz OWVKCJJAEFYEDL-ZDUSSCGKSA-N 2 1 241.423 1.968 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000310827660 385182949 /nfs/dbraw/zinc/18/29/49/385182949.db2.gz IMBQTZZBQJGDLV-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291689254 385197256 /nfs/dbraw/zinc/19/72/56/385197256.db2.gz ITNGAKPKOCWXHH-JTQLQIEISA-N 2 1 224.352 1.016 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOCC2)CC[N@@H+]1C ZINC000157700117 385253822 /nfs/dbraw/zinc/25/38/22/385253822.db2.gz XLUWXPHBPZDUSA-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOCC2)CC[N@H+]1C ZINC000157700117 385253826 /nfs/dbraw/zinc/25/38/26/385253826.db2.gz XLUWXPHBPZDUSA-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP C[NH+](C)CCCC[NH2+]C1CC[NH+](C)CC1 ZINC000045662946 385272549 /nfs/dbraw/zinc/27/25/49/385272549.db2.gz WFUASLZJKQTEIX-UHFFFAOYSA-N 3 1 213.369 1.012 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC)CCCO ZINC000196210177 385274646 /nfs/dbraw/zinc/27/46/46/385274646.db2.gz VICGCWKTHQTUMP-UHFFFAOYSA-N 2 1 216.369 1.423 20 0 BDADMP [NH3+]C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000647490608 385283011 /nfs/dbraw/zinc/28/30/11/385283011.db2.gz CHTJDUAZKKOWFM-LLVKDONJSA-N 2 1 230.315 1.115 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000647490608 385283013 /nfs/dbraw/zinc/28/30/13/385283013.db2.gz CHTJDUAZKKOWFM-LLVKDONJSA-N 2 1 230.315 1.115 20 0 BDADMP CS[C@@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308987757 385334120 /nfs/dbraw/zinc/33/41/20/385334120.db2.gz MOMRMEWLVLXLAJ-JTQLQIEISA-N 2 1 228.405 1.954 20 0 BDADMP c1cn(CCN(Cc2cccnc2)C2CC2)cn1 ZINC000180279773 385388967 /nfs/dbraw/zinc/38/89/67/385388967.db2.gz DTJMORZBCUSTIZ-UHFFFAOYSA-N 2 1 242.326 1.943 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCO ZINC000179149410 385369979 /nfs/dbraw/zinc/36/99/79/385369979.db2.gz FOFKWJUHVFXLEF-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H](C[N@@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000224188279 385325469 /nfs/dbraw/zinc/32/54/69/385325469.db2.gz UJVBWLZXYOCYMM-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H](C[N@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000224188279 385325475 /nfs/dbraw/zinc/32/54/75/385325475.db2.gz UJVBWLZXYOCYMM-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000224188279 385325478 /nfs/dbraw/zinc/32/54/78/385325478.db2.gz UJVBWLZXYOCYMM-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000224188279 385325483 /nfs/dbraw/zinc/32/54/83/385325483.db2.gz UJVBWLZXYOCYMM-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2c[nH]nc2C)CC[C@@H]1[NH3+] ZINC000647498437 385419468 /nfs/dbraw/zinc/41/94/68/385419468.db2.gz HBYCHEXNADCWDL-PWSUYJOCSA-N 2 1 222.336 1.277 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2C)CC[C@@H]1[NH3+] ZINC000647498437 385419472 /nfs/dbraw/zinc/41/94/72/385419472.db2.gz HBYCHEXNADCWDL-PWSUYJOCSA-N 2 1 222.336 1.277 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000309184164 385453447 /nfs/dbraw/zinc/45/34/47/385453447.db2.gz GLVUNVHEJUBGMO-YNEHKIRRSA-N 2 1 219.332 1.970 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000405295334 385456485 /nfs/dbraw/zinc/45/64/85/385456485.db2.gz OAEMHTXOSXFAKE-WDEREUQCSA-N 2 1 235.331 1.306 20 0 BDADMP CCCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309130613 385430793 /nfs/dbraw/zinc/43/07/93/385430793.db2.gz XSZNQKJCHDHKJU-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309130613 385430798 /nfs/dbraw/zinc/43/07/98/385430798.db2.gz XSZNQKJCHDHKJU-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309130613 385430800 /nfs/dbraw/zinc/43/08/00/385430800.db2.gz XSZNQKJCHDHKJU-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309130613 385430803 /nfs/dbraw/zinc/43/08/03/385430803.db2.gz XSZNQKJCHDHKJU-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000309208356 385480834 /nfs/dbraw/zinc/48/08/34/385480834.db2.gz BKPLUFQNOFNRMJ-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000309208356 385480838 /nfs/dbraw/zinc/48/08/38/385480838.db2.gz BKPLUFQNOFNRMJ-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000309208356 385480841 /nfs/dbraw/zinc/48/08/41/385480841.db2.gz BKPLUFQNOFNRMJ-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309208356 385480843 /nfs/dbraw/zinc/48/08/43/385480843.db2.gz BKPLUFQNOFNRMJ-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000309347115 385545853 /nfs/dbraw/zinc/54/58/53/385545853.db2.gz LYYQCLHKSAYIHV-AVGNSLFASA-N 2 1 228.380 1.323 20 0 BDADMP CC[NH2+]CCCNc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000647703989 385576242 /nfs/dbraw/zinc/57/62/42/385576242.db2.gz WCKLFCZNEFQODS-UHFFFAOYSA-N 2 1 247.346 1.986 20 0 BDADMP CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000309429735 385579095 /nfs/dbraw/zinc/57/90/95/385579095.db2.gz MGKMDBBHCLSRBF-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000309429735 385579098 /nfs/dbraw/zinc/57/90/98/385579098.db2.gz MGKMDBBHCLSRBF-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000309429735 385579101 /nfs/dbraw/zinc/57/91/01/385579101.db2.gz MGKMDBBHCLSRBF-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309429735 385579105 /nfs/dbraw/zinc/57/91/05/385579105.db2.gz MGKMDBBHCLSRBF-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP Cc1nc(NC[C@H](C)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000309446322 385586631 /nfs/dbraw/zinc/58/66/31/385586631.db2.gz LMBMHDPBZXNEFP-QMMMGPOBSA-N 2 1 222.336 1.764 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C)ccc1OC ZINC000414848793 385620053 /nfs/dbraw/zinc/62/00/53/385620053.db2.gz XJIQPAWDFUGDDW-LBPRGKRZSA-N 2 1 236.359 1.949 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ncc[nH]1 ZINC000493796011 385620275 /nfs/dbraw/zinc/62/02/75/385620275.db2.gz UZIFMDSFOGLNAD-MVIFTORASA-N 2 1 248.330 1.023 20 0 BDADMP FCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336680076 385625930 /nfs/dbraw/zinc/62/59/30/385625930.db2.gz IUDCCRMJPNSTKJ-VXGBXAGGSA-N 2 1 214.328 1.953 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCCCF)C1 ZINC000336681966 385636795 /nfs/dbraw/zinc/63/67/95/385636795.db2.gz HYFSCKLIHKJPIC-MNOVXSKESA-N 2 1 202.317 1.795 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cncc(F)c1 ZINC000414850107 385627640 /nfs/dbraw/zinc/62/76/40/385627640.db2.gz YSHPWHQYDZZAJS-VIFPVBQESA-N 2 1 211.284 1.166 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000414850278 385633257 /nfs/dbraw/zinc/63/32/57/385633257.db2.gz IFCHUTVYZLAQSY-QWHCGFSZSA-N 2 1 233.359 1.868 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000336677711 385611826 /nfs/dbraw/zinc/61/18/26/385611826.db2.gz QGYAWMPBCJDWMX-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC000336681965 385636129 /nfs/dbraw/zinc/63/61/29/385636129.db2.gz HYFSCKLIHKJPIC-GHMZBOCLSA-N 2 1 202.317 1.795 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCOC1 ZINC000309580874 385713468 /nfs/dbraw/zinc/71/34/68/385713468.db2.gz QIGUBWUTYQDRQN-WCQYABFASA-N 2 1 224.348 1.263 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000336692302 385733504 /nfs/dbraw/zinc/73/35/04/385733504.db2.gz HTLSNIJTGRWRGB-KBPBESRZSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336692302 385733506 /nfs/dbraw/zinc/73/35/06/385733506.db2.gz HTLSNIJTGRWRGB-KBPBESRZSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336692302 385733510 /nfs/dbraw/zinc/73/35/10/385733510.db2.gz HTLSNIJTGRWRGB-KBPBESRZSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336692302 385733515 /nfs/dbraw/zinc/73/35/15/385733515.db2.gz HTLSNIJTGRWRGB-KBPBESRZSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336692302 385733517 /nfs/dbraw/zinc/73/35/17/385733517.db2.gz HTLSNIJTGRWRGB-KBPBESRZSA-N 2 1 240.391 1.562 20 0 BDADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000414865061 385771511 /nfs/dbraw/zinc/77/15/11/385771511.db2.gz YVPHDOJFONNHJL-ONGXEEELSA-N 2 1 239.388 1.929 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000393496837 385817742 /nfs/dbraw/zinc/81/77/42/385817742.db2.gz SEUZZLJLQQEQCD-WUHRBBMRSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000393496837 385817746 /nfs/dbraw/zinc/81/77/46/385817746.db2.gz SEUZZLJLQQEQCD-WUHRBBMRSA-N 2 1 226.364 1.626 20 0 BDADMP COc1ccsc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414952846 385826102 /nfs/dbraw/zinc/82/61/02/385826102.db2.gz RCOCVPMRYRUFAT-UWVGGRQHSA-N 2 1 240.372 1.987 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCSC1 ZINC000162653695 385826821 /nfs/dbraw/zinc/82/68/21/385826821.db2.gz YFDRDLDEPYSRBN-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCSC1 ZINC000162653695 385826822 /nfs/dbraw/zinc/82/68/22/385826822.db2.gz YFDRDLDEPYSRBN-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCSC1 ZINC000162653695 385826825 /nfs/dbraw/zinc/82/68/25/385826825.db2.gz YFDRDLDEPYSRBN-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP COCCOc1cccc(C[NH2+][C@@H](C)CN)c1 ZINC000414954917 385831408 /nfs/dbraw/zinc/83/14/08/385831408.db2.gz NWJZRAFFEVEJFN-NSHDSACASA-N 2 1 238.331 1.149 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cn[nH]c1 ZINC000271497793 385833490 /nfs/dbraw/zinc/83/34/90/385833490.db2.gz LTUDHXYSILRXHQ-JFGNBEQYSA-N 2 1 222.336 1.543 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cn[nH]c1 ZINC000271497793 385833495 /nfs/dbraw/zinc/83/34/95/385833495.db2.gz LTUDHXYSILRXHQ-JFGNBEQYSA-N 2 1 222.336 1.543 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000647802614 385836243 /nfs/dbraw/zinc/83/62/43/385836243.db2.gz PVVNTJLEXPJOPL-CHWSQXEVSA-N 3 1 219.332 1.115 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cnccn1 ZINC000647803213 385838916 /nfs/dbraw/zinc/83/89/16/385838916.db2.gz NCFCDFZANWYJOD-LLVKDONJSA-N 2 1 242.326 1.786 20 0 BDADMP C[C@H](C[NH2+]Cc1cncn1C)C[NH+]1CCCC1 ZINC000112341579 385839360 /nfs/dbraw/zinc/83/93/60/385839360.db2.gz HJCDQQOPOIYYLI-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000647804779 385839397 /nfs/dbraw/zinc/83/93/97/385839397.db2.gz YPTKQTIUDPWKRC-RCWTZXSCSA-N 2 1 214.378 1.468 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473252 385840231 /nfs/dbraw/zinc/84/02/31/385840231.db2.gz HBOCQKPTLQONLS-NNYUYHANSA-N 2 1 212.337 1.081 20 0 BDADMP CCn1nc(C[NH2+]C[C@H](C)C[NH3+])c2ccccc21 ZINC000414874701 385886098 /nfs/dbraw/zinc/88/60/98/385886098.db2.gz IVGZLVSVDYGNHP-LLVKDONJSA-N 2 1 246.358 1.741 20 0 BDADMP FC(F)COCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336719831 385860471 /nfs/dbraw/zinc/86/04/71/385860471.db2.gz RXOFRUMIYCFUEV-UHFFFAOYSA-N 2 1 248.317 1.485 20 0 BDADMP CC[N@@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284309169 385861996 /nfs/dbraw/zinc/86/19/96/385861996.db2.gz JYLVVUKEAGGALH-UHFFFAOYSA-N 2 1 246.314 1.016 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647815511 385868187 /nfs/dbraw/zinc/86/81/87/385868187.db2.gz UOHOUMCSDUQVFZ-AAEUAGOBSA-N 2 1 249.358 1.087 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC000647815511 385868192 /nfs/dbraw/zinc/86/81/92/385868192.db2.gz UOHOUMCSDUQVFZ-AAEUAGOBSA-N 2 1 249.358 1.087 20 0 BDADMP Cc1cnn(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815162 385869496 /nfs/dbraw/zinc/86/94/96/385869496.db2.gz RQJXQOPIQYJJGW-UHFFFAOYSA-N 2 1 248.374 1.408 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000647818285 385870859 /nfs/dbraw/zinc/87/08/59/385870859.db2.gz IJFFVPQJTYVCAK-UHFFFAOYSA-N 3 1 239.407 1.450 20 0 BDADMP C[N@H+](CCCC1CC[NH2+]CC1)C1CCNCC1 ZINC000647818285 385870860 /nfs/dbraw/zinc/87/08/60/385870860.db2.gz IJFFVPQJTYVCAK-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1CCNCC1 ZINC000647818285 385870864 /nfs/dbraw/zinc/87/08/64/385870864.db2.gz IJFFVPQJTYVCAK-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cn[nH]c1 ZINC000340471134 385872650 /nfs/dbraw/zinc/87/26/50/385872650.db2.gz BVHJTRNPRHBGDY-NSHDSACASA-N 2 1 248.374 1.935 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647830556 385872975 /nfs/dbraw/zinc/87/29/75/385872975.db2.gz QSSDNOHBLUTFSM-CYBMUJFWSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CC[NH2+]1 ZINC000414960678 385880710 /nfs/dbraw/zinc/88/07/10/385880710.db2.gz YHPKBOUPCUYHMF-JQWIXIFHSA-N 2 1 248.326 1.645 20 0 BDADMP CN(C)c1cc(NC(=O)CCC2C[NH2+]C2)cc[nH+]1 ZINC000638135764 385880840 /nfs/dbraw/zinc/88/08/40/385880840.db2.gz VFJVPKBFELCEEW-UHFFFAOYSA-N 2 1 248.330 1.086 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414971703 385975596 /nfs/dbraw/zinc/97/55/96/385975596.db2.gz IUYNDLVTXRXQGD-RYUDHWBXSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCSCC1 ZINC000335019750 385977287 /nfs/dbraw/zinc/97/72/87/385977287.db2.gz SIDIJLZYFQIIDF-PWSUYJOCSA-N 2 1 228.405 1.717 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H]2CCC[C@@H]21 ZINC000414128212 385977352 /nfs/dbraw/zinc/97/73/52/385977352.db2.gz RUFCAFJZHJSFOI-PDWCTOEPSA-N 2 1 238.375 1.362 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1N(C)C ZINC000414972149 385980276 /nfs/dbraw/zinc/98/02/76/385980276.db2.gz ACBKIZURQGADOX-LBPRGKRZSA-N 2 1 221.348 1.580 20 0 BDADMP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295175511 385985148 /nfs/dbraw/zinc/98/51/48/385985148.db2.gz MAOSGOAEMRGUDM-LLVKDONJSA-N 2 1 247.342 1.250 20 0 BDADMP COc1ccncc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311023289 385987653 /nfs/dbraw/zinc/98/76/53/385987653.db2.gz OSGZTLVYCKKHST-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP COc1ccncc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311023289 385987661 /nfs/dbraw/zinc/98/76/61/385987661.db2.gz OSGZTLVYCKKHST-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000414140642 385989752 /nfs/dbraw/zinc/98/97/52/385989752.db2.gz IZVDAFGDQHNSTL-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000414140642 385989756 /nfs/dbraw/zinc/98/97/56/385989756.db2.gz IZVDAFGDQHNSTL-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP C[NH+](C)C1CN(c2cc[nH+]cc2Cl)C1 ZINC000273332530 385990438 /nfs/dbraw/zinc/99/04/38/385990438.db2.gz RJTCVJQHJHCMAI-UHFFFAOYSA-N 2 1 211.696 1.485 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000335039235 385931129 /nfs/dbraw/zinc/93/11/29/385931129.db2.gz AZTOYETYAUMFFJ-ZIAGYGMSSA-N 3 1 237.391 1.498 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000335039235 385931130 /nfs/dbraw/zinc/93/11/30/385931130.db2.gz AZTOYETYAUMFFJ-ZIAGYGMSSA-N 2 1 237.391 1.498 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000335039235 385931133 /nfs/dbraw/zinc/93/11/33/385931133.db2.gz AZTOYETYAUMFFJ-ZIAGYGMSSA-N 2 1 237.391 1.498 20 0 BDADMP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000335040285 385934002 /nfs/dbraw/zinc/93/40/02/385934002.db2.gz FCSQDMBUSRHFFH-FZMZJTMJSA-N 2 1 246.354 1.934 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000338272541 385934957 /nfs/dbraw/zinc/93/49/57/385934957.db2.gz ASILWUYWVGMKKG-NSHDSACASA-N 2 1 243.395 1.208 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1C ZINC000414062203 385936394 /nfs/dbraw/zinc/93/63/94/385936394.db2.gz CJCXEPAJUUIDQH-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)co1 ZINC000335044976 385939543 /nfs/dbraw/zinc/93/95/43/385939543.db2.gz WIZDYZFACIBBLT-FOSCPWQOSA-N 2 1 206.289 1.652 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1nc2ccccc2n1C ZINC000414879890 385953461 /nfs/dbraw/zinc/95/34/61/385953461.db2.gz JCZYMKSABXHBMA-SNVBAGLBSA-N 2 1 232.331 1.400 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000128258841 385967215 /nfs/dbraw/zinc/96/72/15/385967215.db2.gz JYCVTVSQGIAMRJ-LBPRGKRZSA-N 2 1 236.363 1.289 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000414149450 385998241 /nfs/dbraw/zinc/99/82/41/385998241.db2.gz STZOVMYDTRUBQX-FQUUOJAGSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000414149450 385998245 /nfs/dbraw/zinc/99/82/45/385998245.db2.gz STZOVMYDTRUBQX-FQUUOJAGSA-N 2 1 240.391 1.872 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000414974350 386009738 /nfs/dbraw/zinc/00/97/38/386009738.db2.gz JXFKACCTRUJFBJ-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000414188407 386027498 /nfs/dbraw/zinc/02/74/98/386027498.db2.gz QFLTYORVAOBDQN-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CCOC)[C@@H](C)C1 ZINC000414192875 386032229 /nfs/dbraw/zinc/03/22/29/386032229.db2.gz HVIXDMZCTMQPJR-IHRRRGAJSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000647929130 386032323 /nfs/dbraw/zinc/03/23/23/386032323.db2.gz MFMVSMGECQVDAH-CQSZACIVSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@H]1CN(CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC000647929130 386032326 /nfs/dbraw/zinc/03/23/26/386032326.db2.gz MFMVSMGECQVDAH-CQSZACIVSA-N 2 1 239.407 1.306 20 0 BDADMP C[N@@H+](CCCn1ccnc1)[C@@H]1CCC[C@H]1O ZINC000286403329 386034283 /nfs/dbraw/zinc/03/42/83/386034283.db2.gz HNFPYEBOZGDWPF-VXGBXAGGSA-N 2 1 223.320 1.118 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414196650 386035924 /nfs/dbraw/zinc/03/59/24/386035924.db2.gz BCNHORNTYRARDW-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414196650 386035932 /nfs/dbraw/zinc/03/59/32/386035932.db2.gz BCNHORNTYRARDW-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC000647929244 386036276 /nfs/dbraw/zinc/03/62/76/386036276.db2.gz VDNCNRXDYYOXFO-ZIAGYGMSSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647929244 386036281 /nfs/dbraw/zinc/03/62/81/386036281.db2.gz VDNCNRXDYYOXFO-ZIAGYGMSSA-N 2 1 239.407 1.306 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000414978263 386041364 /nfs/dbraw/zinc/04/13/64/386041364.db2.gz RKFPWJMAMNAQBX-HZSPNIEDSA-N 2 1 237.391 1.058 20 0 BDADMP CCC1CCC([NH2+]C[C@H]2C[NH2+]CCN2C)CC1 ZINC000414979498 386045259 /nfs/dbraw/zinc/04/52/59/386045259.db2.gz UKBJYVDXHXAENJ-JXQTWKCFSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc[nH+]1 ZINC000335079007 386051540 /nfs/dbraw/zinc/05/15/40/386051540.db2.gz PXYKDFRXGZZJFV-GXTWGEPZSA-N 2 1 231.343 1.920 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295239978 385996076 /nfs/dbraw/zinc/99/60/76/385996076.db2.gz SPMFEYNUHOYVFN-GHMZBOCLSA-N 2 1 247.342 1.106 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000414665792 386116884 /nfs/dbraw/zinc/11/68/84/386116884.db2.gz FSXVTXWWVQQYBO-YPMHNXCESA-N 3 1 227.396 1.419 20 0 BDADMP CCCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414666175 386119096 /nfs/dbraw/zinc/11/90/96/386119096.db2.gz FWXYHRVGHBGOGE-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])c(C)c1 ZINC000647873381 386119786 /nfs/dbraw/zinc/11/97/86/386119786.db2.gz CGPSPMGKPRYCAN-UHFFFAOYSA-N 2 1 236.359 1.711 20 0 BDADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414211684 386064959 /nfs/dbraw/zinc/06/49/59/386064959.db2.gz VUDTVYSRHVRNAU-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000425449768 386081827 /nfs/dbraw/zinc/08/18/27/386081827.db2.gz TZWMMFVCSJFROB-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000425449768 386081831 /nfs/dbraw/zinc/08/18/31/386081831.db2.gz TZWMMFVCSJFROB-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000425449768 386081836 /nfs/dbraw/zinc/08/18/36/386081836.db2.gz TZWMMFVCSJFROB-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414887420 386088682 /nfs/dbraw/zinc/08/86/82/386088682.db2.gz DNVPGAASVTWRIJ-LBPRGKRZSA-N 2 1 244.342 1.470 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000334453714 386099455 /nfs/dbraw/zinc/09/94/55/386099455.db2.gz UIAWJPJEROUDGL-SNVBAGLBSA-N 2 1 231.303 1.088 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C[C@@H](C)O)C(C)C ZINC000414686831 386176907 /nfs/dbraw/zinc/17/69/07/386176907.db2.gz BJRHURYFYXBISC-NEPJUHHUSA-N 2 1 216.369 1.451 20 0 BDADMP Cc1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cnn1C ZINC000130598059 386177635 /nfs/dbraw/zinc/17/76/35/386177635.db2.gz JTXDQJSPTCCSSA-YUTCNCBUSA-N 2 1 248.374 1.288 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)CC[C@H]2C)CC[NH2+]1 ZINC000414693255 386189421 /nfs/dbraw/zinc/18/94/21/386189421.db2.gz MKAIWLDIYXCABY-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCOC1 ZINC000288494828 386206619 /nfs/dbraw/zinc/20/66/19/386206619.db2.gz HPIQFRJPHIKTTG-GFCCVEGCSA-N 2 1 235.331 1.416 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000225694769 386213606 /nfs/dbraw/zinc/21/36/06/386213606.db2.gz BYLKVGZRLDYSCQ-STQMWFEESA-N 2 1 228.380 1.589 20 0 BDADMP [NH3+]CCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000414709659 386225428 /nfs/dbraw/zinc/22/54/28/386225428.db2.gz PBSCGPIZMNCESO-HNNXBMFYSA-N 2 1 248.370 1.669 20 0 BDADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000347040050 386225417 /nfs/dbraw/zinc/22/54/17/386225417.db2.gz KBWHXLFXMFGRIT-NSHDSACASA-N 2 1 248.326 1.238 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000347040050 386225421 /nfs/dbraw/zinc/22/54/21/386225421.db2.gz KBWHXLFXMFGRIT-NSHDSACASA-N 2 1 248.326 1.238 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000347112724 386231546 /nfs/dbraw/zinc/23/15/46/386231546.db2.gz RRAKFUFSLRCTLW-GFCCVEGCSA-N 2 1 244.342 1.604 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415001962 386239397 /nfs/dbraw/zinc/23/93/97/386239397.db2.gz DAXREGGQXVGSPR-NEPJUHHUSA-N 2 1 244.342 1.698 20 0 BDADMP C[NH2+]C1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000347092180 386245274 /nfs/dbraw/zinc/24/52/74/386245274.db2.gz GRWSBNZKHIOGGS-UHFFFAOYSA-N 2 1 247.386 1.936 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000336645578 386252210 /nfs/dbraw/zinc/25/22/10/386252210.db2.gz IEBHWVHKIMWCST-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414696387 386196895 /nfs/dbraw/zinc/19/68/95/386196895.db2.gz HKQVSHASELNUAL-MELADBBJSA-N 2 1 241.423 1.774 20 0 BDADMP COC(=O)CC[N@H+](C[C@H]([NH3+])CC(C)C)C(C)C ZINC000414695754 386197160 /nfs/dbraw/zinc/19/71/60/386197160.db2.gz OTSNMTBELPZQPE-GFCCVEGCSA-N 2 1 244.379 1.633 20 0 BDADMP COC(=O)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C(C)C ZINC000414695754 386197163 /nfs/dbraw/zinc/19/71/63/386197163.db2.gz OTSNMTBELPZQPE-GFCCVEGCSA-N 2 1 244.379 1.633 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414696386 386197400 /nfs/dbraw/zinc/19/74/00/386197400.db2.gz HKQVSHASELNUAL-IHRRRGAJSA-N 2 1 241.423 1.774 20 0 BDADMP Cn1cncc1CC[N@H+]1CCOCC1(C)C ZINC000297974582 386290116 /nfs/dbraw/zinc/29/01/16/386290116.db2.gz XMCRUGLILLWITE-UHFFFAOYSA-N 2 1 223.320 1.073 20 0 BDADMP Cn1cncc1CCN1CCOCC1(C)C ZINC000297974582 386290123 /nfs/dbraw/zinc/29/01/23/386290123.db2.gz XMCRUGLILLWITE-UHFFFAOYSA-N 2 1 223.320 1.073 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000414733954 386299054 /nfs/dbraw/zinc/29/90/54/386299054.db2.gz FJQZGHOELFOTIR-IHRRRGAJSA-N 2 1 241.423 1.774 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415005753 386306882 /nfs/dbraw/zinc/30/68/82/386306882.db2.gz JOQIDYVYUHRXMK-ZJUUUORDSA-N 2 1 236.315 1.299 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000414739959 386314785 /nfs/dbraw/zinc/31/47/85/386314785.db2.gz CNBXCFBUOUEVRA-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000414739959 386314788 /nfs/dbraw/zinc/31/47/88/386314788.db2.gz CNBXCFBUOUEVRA-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(O)CCC2)C1 ZINC000336671334 386317817 /nfs/dbraw/zinc/31/78/17/386317817.db2.gz JLRXLBUXVQSVJB-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000091996159 386318611 /nfs/dbraw/zinc/31/86/11/386318611.db2.gz YOQVYSIBRKWZDV-VXGBXAGGSA-N 2 1 249.358 1.655 20 0 BDADMP C[C@H](O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336650319 386263504 /nfs/dbraw/zinc/26/35/04/386263504.db2.gz SLHPZITVGONUFJ-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336650319 386263507 /nfs/dbraw/zinc/26/35/07/386263507.db2.gz SLHPZITVGONUFJ-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336650319 386263511 /nfs/dbraw/zinc/26/35/11/386263511.db2.gz SLHPZITVGONUFJ-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@H](O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336650319 386263512 /nfs/dbraw/zinc/26/35/12/386263512.db2.gz SLHPZITVGONUFJ-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](COC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336731570 386323875 /nfs/dbraw/zinc/32/38/75/386323875.db2.gz KUQHIPKERJKCKP-GFCCVEGCSA-N 2 1 212.337 1.263 20 0 BDADMP COC1CCC([N@@H+](C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000647885673 386277533 /nfs/dbraw/zinc/27/75/33/386277533.db2.gz CUQJJLSUBOHVEW-PNESKVBLSA-N 2 1 226.364 1.485 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336661825 386278289 /nfs/dbraw/zinc/27/82/89/386278289.db2.gz CGDXQDQZKPBSQT-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336661822 386279762 /nfs/dbraw/zinc/27/97/62/386279762.db2.gz CGDXQDQZKPBSQT-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000414744856 386341149 /nfs/dbraw/zinc/34/11/49/386341149.db2.gz QHKWDNZGWMOVIU-KGLIPLIRSA-N 2 1 241.423 1.632 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334491358 386345106 /nfs/dbraw/zinc/34/51/06/386345106.db2.gz YARFZKXJPVKAHA-CQSZACIVSA-N 2 1 249.358 1.731 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334491358 386345112 /nfs/dbraw/zinc/34/51/12/386345112.db2.gz YARFZKXJPVKAHA-CQSZACIVSA-N 2 1 249.358 1.731 20 0 BDADMP CC[C@]1(C)COCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414748602 386363403 /nfs/dbraw/zinc/36/34/03/386363403.db2.gz WWCPMOMKRHWRFU-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000414905640 386364870 /nfs/dbraw/zinc/36/48/70/386364870.db2.gz LQHSHVWFOKUCHJ-VIFPVBQESA-N 2 1 224.279 1.230 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000414906817 386374341 /nfs/dbraw/zinc/37/43/41/386374341.db2.gz AJOUDCROCBDLFR-UTUOFQBUSA-N 2 1 212.337 1.001 20 0 BDADMP CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647890708 386382000 /nfs/dbraw/zinc/38/20/00/386382000.db2.gz HVSCLYQPKLDMRQ-YRGRVCCFSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](C[N@@H+](C)C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000647989102 386335101 /nfs/dbraw/zinc/33/51/01/386335101.db2.gz IVNKFKWJFIOCSD-GHMZBOCLSA-N 2 1 239.388 1.788 20 0 BDADMP C[C@@H](C[N@@H+](C)C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000647989104 386337197 /nfs/dbraw/zinc/33/71/97/386337197.db2.gz IVNKFKWJFIOCSD-QWRGUYRKSA-N 2 1 239.388 1.788 20 0 BDADMP C[C@@H](O)CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336681458 386337672 /nfs/dbraw/zinc/33/76/72/386337672.db2.gz DSBQANXYHWMJLU-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H](O)CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000336681458 386337680 /nfs/dbraw/zinc/33/76/80/386337680.db2.gz DSBQANXYHWMJLU-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H](O)CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000336681458 386337688 /nfs/dbraw/zinc/33/76/88/386337688.db2.gz DSBQANXYHWMJLU-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C([C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000336722199 386447728 /nfs/dbraw/zinc/44/77/28/386447728.db2.gz ZTTVDCFPLLNWOU-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCO)C1 ZINC000336704640 386392902 /nfs/dbraw/zinc/39/29/02/386392902.db2.gz NFZJCABDVDFLKA-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCO)C1 ZINC000336704640 386392906 /nfs/dbraw/zinc/39/29/06/386392906.db2.gz NFZJCABDVDFLKA-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCO)C1 ZINC000336704640 386392908 /nfs/dbraw/zinc/39/29/08/386392908.db2.gz NFZJCABDVDFLKA-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CCOC1)CC[NH2+]CC2 ZINC000335280006 386393882 /nfs/dbraw/zinc/39/38/82/386393882.db2.gz QHMNPXVQUSLDQS-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C(C)C)[C@@H](C)C1 ZINC000347436855 386401132 /nfs/dbraw/zinc/40/11/32/386401132.db2.gz XDBAKSAUJIYMER-MELADBBJSA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1O ZINC000414757892 386405421 /nfs/dbraw/zinc/40/54/21/386405421.db2.gz LXUYXGOCNIVZQT-LOWDOPEQSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000290213482 386407060 /nfs/dbraw/zinc/40/70/60/386407060.db2.gz HKXUDOGAGLKMDO-SWLSCSKDSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000290213480 386407106 /nfs/dbraw/zinc/40/71/06/386407106.db2.gz HKXUDOGAGLKMDO-DOMZBBRYSA-N 2 1 248.370 1.792 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414760445 386415507 /nfs/dbraw/zinc/41/55/07/386415507.db2.gz GXMKFEIRTYQFKD-ZDUSSCGKSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)C[C@H](N)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414760445 386415508 /nfs/dbraw/zinc/41/55/08/386415508.db2.gz GXMKFEIRTYQFKD-ZDUSSCGKSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414760445 386415513 /nfs/dbraw/zinc/41/55/13/386415513.db2.gz GXMKFEIRTYQFKD-ZDUSSCGKSA-N 2 1 239.407 1.435 20 0 BDADMP COC1CC([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000347412219 386418091 /nfs/dbraw/zinc/41/80/91/386418091.db2.gz AMRFSBVXIGUXON-UHFFFAOYSA-N 2 1 237.347 1.739 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccn(C)c1 ZINC000290335469 386421549 /nfs/dbraw/zinc/42/15/49/386421549.db2.gz FAUASLLDWNYZJZ-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccn(C)c1 ZINC000290335469 386421560 /nfs/dbraw/zinc/42/15/60/386421560.db2.gz FAUASLLDWNYZJZ-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccn(C)c1 ZINC000290335469 386421563 /nfs/dbraw/zinc/42/15/63/386421563.db2.gz FAUASLLDWNYZJZ-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccn(C)c1 ZINC000290335469 386421569 /nfs/dbraw/zinc/42/15/69/386421569.db2.gz FAUASLLDWNYZJZ-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427791 386421792 /nfs/dbraw/zinc/42/17/92/386421792.db2.gz BOZFJUJYPPSTQH-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339427791 386421794 /nfs/dbraw/zinc/42/17/94/386421794.db2.gz BOZFJUJYPPSTQH-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339427791 386421802 /nfs/dbraw/zinc/42/18/02/386421802.db2.gz BOZFJUJYPPSTQH-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427792 386422544 /nfs/dbraw/zinc/42/25/44/386422544.db2.gz BOZFJUJYPPSTQH-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](O)CCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339427792 386422550 /nfs/dbraw/zinc/42/25/50/386422550.db2.gz BOZFJUJYPPSTQH-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](O)CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339427792 386422558 /nfs/dbraw/zinc/42/25/58/386422558.db2.gz BOZFJUJYPPSTQH-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335366007 386478082 /nfs/dbraw/zinc/47/80/82/386478082.db2.gz NNSYMLQBZSJWHL-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415011148 386485027 /nfs/dbraw/zinc/48/50/27/386485027.db2.gz QGDSSTSRHXWITB-VHSXEESVSA-N 2 1 235.331 1.470 20 0 BDADMP C[C@@]1(C[NH2+]Cc2cccc(O)c2)CCC[NH2+]C1 ZINC000414914198 386501561 /nfs/dbraw/zinc/50/15/61/386501561.db2.gz XNCZXSLUZLVKDV-CQSZACIVSA-N 2 1 234.343 1.872 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CCNC(C)(C)C ZINC000415026609 386516695 /nfs/dbraw/zinc/51/66/95/386516695.db2.gz UYWXLJGSCXSLCB-SNVBAGLBSA-N 2 1 201.358 1.092 20 0 BDADMP C[C@H](CCC[NH3+])NCC[NH2+]C(C)(C)C ZINC000415026609 386516700 /nfs/dbraw/zinc/51/67/00/386516700.db2.gz UYWXLJGSCXSLCB-SNVBAGLBSA-N 2 1 201.358 1.092 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000415029179 386517107 /nfs/dbraw/zinc/51/71/07/386517107.db2.gz DMGFGSBGALVZHW-DGAVXFQQSA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000415029179 386517112 /nfs/dbraw/zinc/51/71/12/386517112.db2.gz DMGFGSBGALVZHW-DGAVXFQQSA-N 2 1 239.407 1.434 20 0 BDADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000415027765 386517448 /nfs/dbraw/zinc/51/74/48/386517448.db2.gz WWDUUCUPBNIKMP-AVGNSLFASA-N 3 1 225.380 1.093 20 0 BDADMP Fc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415035915 386521035 /nfs/dbraw/zinc/52/10/35/386521035.db2.gz JHWCYGZUHSHSPU-CYBMUJFWSA-N 2 1 238.306 1.294 20 0 BDADMP C(=C/c1ccccc1)\C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415037989 386523452 /nfs/dbraw/zinc/52/34/52/386523452.db2.gz LRQBWRTUTBWECB-LWUPOJRFSA-N 2 1 246.354 1.668 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCOC(C)C)CC[C@H]1[NH3+] ZINC000647936456 386527134 /nfs/dbraw/zinc/52/71/34/386527134.db2.gz FJBMZKJLKOXXFW-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@H]1C[N@@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000647936511 386530575 /nfs/dbraw/zinc/53/05/75/386530575.db2.gz GLQXTHZYILOPCX-STQMWFEESA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)(C)NCC[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415041678 386527820 /nfs/dbraw/zinc/52/78/20/386527820.db2.gz QBQKSLSFVQTYAE-MNOVXSKESA-N 2 1 213.369 1.092 20 0 BDADMP CC(C)(C)[NH2+]CCN[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415041678 386527823 /nfs/dbraw/zinc/52/78/23/386527823.db2.gz QBQKSLSFVQTYAE-MNOVXSKESA-N 2 1 213.369 1.092 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911138 386453104 /nfs/dbraw/zinc/45/31/04/386453104.db2.gz WHWOBVHZPGISBL-YNEHKIRRSA-N 3 1 225.380 1.249 20 0 BDADMP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCC1 ZINC000336725445 386460865 /nfs/dbraw/zinc/46/08/65/386460865.db2.gz VBHICCBWMUFJOI-AWEZNQCLSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCC1 ZINC000336725445 386460870 /nfs/dbraw/zinc/46/08/70/386460870.db2.gz VBHICCBWMUFJOI-AWEZNQCLSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000336725445 386460873 /nfs/dbraw/zinc/46/08/73/386460873.db2.gz VBHICCBWMUFJOI-AWEZNQCLSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000336725445 386460877 /nfs/dbraw/zinc/46/08/77/386460877.db2.gz VBHICCBWMUFJOI-AWEZNQCLSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414798980 386576016 /nfs/dbraw/zinc/57/60/16/386576016.db2.gz QTUXRISXIBZODJ-NSHDSACASA-N 2 1 247.346 1.041 20 0 BDADMP C[C@H](N)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977594 386576954 /nfs/dbraw/zinc/57/69/54/386576954.db2.gz DXFXCNBRHWBVCH-RWMBFGLXSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977594 386576960 /nfs/dbraw/zinc/57/69/60/386576960.db2.gz DXFXCNBRHWBVCH-RWMBFGLXSA-N 2 1 225.380 1.045 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977952 386577058 /nfs/dbraw/zinc/57/70/58/386577058.db2.gz KDOCRFBKWNXLRR-CHWSQXEVSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000414921188 386582832 /nfs/dbraw/zinc/58/28/32/386582832.db2.gz DGGLXDULBXYVFW-MXWKQRLJSA-N 2 1 214.378 1.327 20 0 BDADMP C[N@H+](Cc1ccnc(N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647905057 386583198 /nfs/dbraw/zinc/58/31/98/386583198.db2.gz XFXGSZMDHRLVFT-FUNVUKJBSA-N 2 1 246.358 1.209 20 0 BDADMP C[N@@H+](Cc1ccnc(N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647905057 386583203 /nfs/dbraw/zinc/58/32/03/386583203.db2.gz XFXGSZMDHRLVFT-FUNVUKJBSA-N 2 1 246.358 1.209 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647905009 386584621 /nfs/dbraw/zinc/58/46/21/386584621.db2.gz DBJUDPFTICWRPT-TZMCWYRMSA-N 2 1 239.407 1.435 20 0 BDADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)[NH3+])o1 ZINC000414800304 386587325 /nfs/dbraw/zinc/58/73/25/386587325.db2.gz HMMOQMFJQVHTEG-UHFFFAOYSA-N 2 1 248.330 1.805 20 0 BDADMP CC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000228093430 386541322 /nfs/dbraw/zinc/54/13/22/386541322.db2.gz WWQBLIKGCXAVND-CYBMUJFWSA-N 2 1 249.358 1.063 20 0 BDADMP Cc1ccc(O)c(C[NH2+]CCC[NH2+]C2CC2)n1 ZINC000415066883 386547950 /nfs/dbraw/zinc/54/79/50/386547950.db2.gz JOTBYWFRFNFYSI-UHFFFAOYSA-N 2 1 235.331 1.327 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc2c1NCC2 ZINC000414792021 386549514 /nfs/dbraw/zinc/54/95/14/386549514.db2.gz IHFHAJSOCUUTLQ-CYBMUJFWSA-N 2 1 233.359 1.728 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000415069193 386550160 /nfs/dbraw/zinc/55/01/60/386550160.db2.gz OHZICJQSATYZJC-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000415069193 386550165 /nfs/dbraw/zinc/55/01/65/386550165.db2.gz OHZICJQSATYZJC-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000415069193 386550168 /nfs/dbraw/zinc/55/01/68/386550168.db2.gz OHZICJQSATYZJC-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP Oc1cc(F)cc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415068001 386551030 /nfs/dbraw/zinc/55/10/30/386551030.db2.gz LXURWDUGLZYDLN-UHFFFAOYSA-N 2 1 238.306 1.763 20 0 BDADMP C[N@@H+](CCC1CCCCCC1)C[C@H](O)C[NH3+] ZINC000415069240 386551467 /nfs/dbraw/zinc/55/14/67/386551467.db2.gz ONUOLCUKMQGKFG-CYBMUJFWSA-N 2 1 228.380 1.598 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415069447 386552362 /nfs/dbraw/zinc/55/23/62/386552362.db2.gz GHSNMHATUDOJEH-STQMWFEESA-N 2 1 228.380 1.779 20 0 BDADMP Cc1cc(C[N@H+](C)C[C@H](O)C[NH3+])ccc1Cl ZINC000415073455 386560523 /nfs/dbraw/zinc/56/05/23/386560523.db2.gz YMGNVBNNZMJJGL-LLVKDONJSA-N 2 1 242.750 1.400 20 0 BDADMP Cc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])ccc1Cl ZINC000415073455 386560529 /nfs/dbraw/zinc/56/05/29/386560529.db2.gz YMGNVBNNZMJJGL-LLVKDONJSA-N 2 1 242.750 1.400 20 0 BDADMP CN(C)c1ccccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415073883 386571633 /nfs/dbraw/zinc/57/16/33/386571633.db2.gz ZCIBAENBABOTKU-UHFFFAOYSA-N 2 1 247.386 1.984 20 0 BDADMP Cc1oc2ccccc2c1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415073924 386571801 /nfs/dbraw/zinc/57/18/01/386571801.db2.gz ZFPCILDIYSURMF-LLVKDONJSA-N 2 1 248.326 1.493 20 0 BDADMP Cc1oc2ccccc2c1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415073924 386571805 /nfs/dbraw/zinc/57/18/05/386571805.db2.gz ZFPCILDIYSURMF-LLVKDONJSA-N 2 1 248.326 1.493 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414795552 386572943 /nfs/dbraw/zinc/57/29/43/386572943.db2.gz AXSKIIDCPGYVDK-UHFFFAOYSA-N 2 1 218.304 1.390 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414808855 386623898 /nfs/dbraw/zinc/62/38/98/386623898.db2.gz UMOVVGWAIMXQDO-UHFFFAOYSA-N 2 1 218.304 1.390 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nn1C ZINC000414808742 386624250 /nfs/dbraw/zinc/62/42/50/386624250.db2.gz SRZPSANBONJEFF-YPMHNXCESA-N 2 1 236.363 1.336 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000415135088 386631536 /nfs/dbraw/zinc/63/15/36/386631536.db2.gz PQLZJHNIVWAXKY-UHFFFAOYSA-N 2 1 232.331 1.604 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000415135088 386631543 /nfs/dbraw/zinc/63/15/43/386631543.db2.gz PQLZJHNIVWAXKY-UHFFFAOYSA-N 2 1 232.331 1.604 20 0 BDADMP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000414814651 386645343 /nfs/dbraw/zinc/64/53/43/386645343.db2.gz VURZBTBLZKVPGO-GFCCVEGCSA-N 3 1 247.386 1.890 20 0 BDADMP C[C@@H]([NH3+])c1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000414814651 386645350 /nfs/dbraw/zinc/64/53/50/386645350.db2.gz VURZBTBLZKVPGO-GFCCVEGCSA-N 2 1 247.386 1.890 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCC2)CCCO1 ZINC000313343375 386647911 /nfs/dbraw/zinc/64/79/11/386647911.db2.gz BMSIMGUSPZARPL-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414815129 386649075 /nfs/dbraw/zinc/64/90/75/386649075.db2.gz ZZSLGFRSIUDVQK-ZDUSSCGKSA-N 2 1 204.317 1.822 20 0 BDADMP Cc1cccc(C)c1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000415086969 386605652 /nfs/dbraw/zinc/60/56/52/386605652.db2.gz SJACQMDOKIKUKS-ZDUSSCGKSA-N 2 1 218.344 1.797 20 0 BDADMP CC[C@@H]([NH2+]CC[NH2+]C(C)(C)C)[C@H]1CCCO1 ZINC000415087651 386606487 /nfs/dbraw/zinc/60/64/87/386606487.db2.gz WHPXGYIJLKFGIS-VXGBXAGGSA-N 2 1 228.380 1.922 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000414804905 386609791 /nfs/dbraw/zinc/60/97/91/386609791.db2.gz YGAZWSSIANGMNQ-UPJWGTAASA-N 3 1 227.396 1.290 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@H]1CCCOC1 ZINC000414806362 386615021 /nfs/dbraw/zinc/61/50/21/386615021.db2.gz BPYMBOYQLNGVFL-NEPJUHHUSA-N 2 1 214.353 1.520 20 0 BDADMP CO[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000644922924 386615296 /nfs/dbraw/zinc/61/52/96/386615296.db2.gz NVYNCFAPAPGZKY-AWEZNQCLSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)c1ccnn1C)C[NH+](C)C ZINC000336645595 386616404 /nfs/dbraw/zinc/61/64/04/386616404.db2.gz AVSVFTDPPMAFPQ-MNOVXSKESA-N 2 1 224.352 1.268 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3C[C@H]2CS3)CC[NH2+]1 ZINC000415108997 386617696 /nfs/dbraw/zinc/61/76/96/386617696.db2.gz LLTUIYZNMKWGTI-WYUUTHIRSA-N 2 1 226.389 1.564 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503695 386660975 /nfs/dbraw/zinc/66/09/75/386660975.db2.gz SVPGHCZWYSZFBE-WCQYABFASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414925876 386662773 /nfs/dbraw/zinc/66/27/73/386662773.db2.gz KFQQALJRFOIFII-UMSGYPCISA-N 2 1 226.364 1.389 20 0 BDADMP CN(C)C1(C[N@@H+](C)CC2CC[NH2+]CC2)CCC1 ZINC000097928160 386667746 /nfs/dbraw/zinc/66/77/46/386667746.db2.gz JCGMVOABYPRKLB-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccncc2)CCCCC1 ZINC000414833360 386712482 /nfs/dbraw/zinc/71/24/82/386712482.db2.gz ALHUHCNKULJPGL-UHFFFAOYSA-N 2 1 219.332 1.833 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+]CC[NH2+]C)CCO1 ZINC000414828957 386703015 /nfs/dbraw/zinc/70/30/15/386703015.db2.gz LQXDGDNGLHZHNT-WDEREUQCSA-N 2 1 200.326 1.001 20 0 BDADMP Cc1cn[nH]c1CNC[C@@H](C)C[NH+]1CCCC1 ZINC000352844307 386705597 /nfs/dbraw/zinc/70/55/97/386705597.db2.gz FRVWITWOEFQTOT-LLVKDONJSA-N 2 1 236.363 1.540 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@@H]1CCSC1 ZINC000414840566 386739106 /nfs/dbraw/zinc/73/91/06/386739106.db2.gz MLRHYQAXIMAKGU-QWRGUYRKSA-N 2 1 216.394 1.703 20 0 BDADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CCOCC[NH3+])C1 ZINC000357090226 386715228 /nfs/dbraw/zinc/71/52/28/386715228.db2.gz ZZFYZHLQKHADOA-NWDGAFQWSA-N 2 1 246.420 1.568 20 0 BDADMP Cc1csc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000335542968 386725376 /nfs/dbraw/zinc/72/53/76/386725376.db2.gz JQLWBMKAYHREKU-GXSJLCMTSA-N 2 1 239.388 1.929 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC1CCOCC1)C1CCCCC1 ZINC000414835165 386726445 /nfs/dbraw/zinc/72/64/45/386726445.db2.gz HFAMFODHTKIGHZ-AWEZNQCLSA-N 2 1 240.391 1.910 20 0 BDADMP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414840697 386752795 /nfs/dbraw/zinc/75/27/95/386752795.db2.gz GZEYGEGPXJWGJO-VXGBXAGGSA-N 2 1 214.353 1.533 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@H](C)[C@@H]1CN ZINC000430576948 386754425 /nfs/dbraw/zinc/75/44/25/386754425.db2.gz SZYSHFFGVBQZJU-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430576948 386754432 /nfs/dbraw/zinc/75/44/32/386754432.db2.gz SZYSHFFGVBQZJU-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430576948 386754440 /nfs/dbraw/zinc/75/44/40/386754440.db2.gz SZYSHFFGVBQZJU-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CN ZINC000430576945 386755784 /nfs/dbraw/zinc/75/57/84/386755784.db2.gz SZYSHFFGVBQZJU-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430576945 386755791 /nfs/dbraw/zinc/75/57/91/386755791.db2.gz SZYSHFFGVBQZJU-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430576945 386755792 /nfs/dbraw/zinc/75/57/92/386755792.db2.gz SZYSHFFGVBQZJU-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000269254241 386767473 /nfs/dbraw/zinc/76/74/73/386767473.db2.gz IXDAMGBEDYEAIH-NXEZZACHSA-N 2 1 248.330 1.214 20 0 BDADMP CC(C)[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269254146 386767908 /nfs/dbraw/zinc/76/79/08/386767908.db2.gz IPANDHSXXXQPEN-NSHDSACASA-N 2 1 236.319 1.069 20 0 BDADMP CC(C)OC1CC([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000428072542 386768307 /nfs/dbraw/zinc/76/83/07/386768307.db2.gz JGKODADYNFUYHL-UHFFFAOYSA-N 2 1 238.375 1.794 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414931861 386768959 /nfs/dbraw/zinc/76/89/59/386768959.db2.gz RYHJOQDADPZMRC-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP CCNCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414839288 386741149 /nfs/dbraw/zinc/74/11/49/386741149.db2.gz FWYFSFCYBVOKEW-IJLUTSLNSA-N 2 1 224.348 1.143 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414839288 386741157 /nfs/dbraw/zinc/74/11/57/386741157.db2.gz FWYFSFCYBVOKEW-IJLUTSLNSA-N 2 1 224.348 1.143 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000414839192 386742268 /nfs/dbraw/zinc/74/22/68/386742268.db2.gz LXXHDRHENUONLQ-GFCCVEGCSA-N 3 1 227.396 1.304 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000293102947 386774833 /nfs/dbraw/zinc/77/48/33/386774833.db2.gz PRENKGANPVXHIR-GFCCVEGCSA-N 2 1 219.332 1.778 20 0 BDADMP CN1CCC([N@@H+](CCO)Cc2ccco2)CC1 ZINC000269330740 386779160 /nfs/dbraw/zinc/77/91/60/386779160.db2.gz BZOMGCPJQLXKMA-UHFFFAOYSA-N 2 1 238.331 1.168 20 0 BDADMP C[C@H](C1CCC1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000325330950 386783944 /nfs/dbraw/zinc/78/39/44/386783944.db2.gz HKBMGRUNLQQSAP-BXUZGUMPSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H](C1CCC1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000325330950 386783954 /nfs/dbraw/zinc/78/39/54/386783954.db2.gz HKBMGRUNLQQSAP-BXUZGUMPSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H](C1CCC1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000325330950 386783963 /nfs/dbraw/zinc/78/39/63/386783963.db2.gz HKBMGRUNLQQSAP-BXUZGUMPSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H](C1CCC1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000325330950 386783968 /nfs/dbraw/zinc/78/39/68/386783968.db2.gz HKBMGRUNLQQSAP-BXUZGUMPSA-N 2 1 240.391 1.562 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336743831 386786668 /nfs/dbraw/zinc/78/66/68/386786668.db2.gz YNLOJEBZVCKMAO-WHOHXGKFSA-N 2 1 228.405 1.953 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336743831 386786674 /nfs/dbraw/zinc/78/66/74/386786674.db2.gz YNLOJEBZVCKMAO-WHOHXGKFSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000414934354 386798786 /nfs/dbraw/zinc/79/87/86/386798786.db2.gz SWDQTEYBLFTPHF-WOPDTQHZSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000192546473 386801828 /nfs/dbraw/zinc/80/18/28/386801828.db2.gz ZYOKHKAIRKWDKW-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000192546473 386801833 /nfs/dbraw/zinc/80/18/33/386801833.db2.gz ZYOKHKAIRKWDKW-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(OC)cc(C)n1 ZINC000414846114 386812292 /nfs/dbraw/zinc/81/22/92/386812292.db2.gz UDGJSCQCQRIDLC-JTQLQIEISA-N 2 1 237.347 1.344 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334775046 386826860 /nfs/dbraw/zinc/82/68/60/386826860.db2.gz DIEVHQQEJNEVLN-NSHDSACASA-N 2 1 244.342 1.734 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000334784294 386841859 /nfs/dbraw/zinc/84/18/59/386841859.db2.gz BLBJMHGISWVOHF-NEPJUHHUSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000334784294 386841864 /nfs/dbraw/zinc/84/18/64/386841864.db2.gz BLBJMHGISWVOHF-NEPJUHHUSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000334785330 386844465 /nfs/dbraw/zinc/84/44/65/386844465.db2.gz ODFCHBGKCPPZHP-AAEUAGOBSA-N 2 1 233.359 1.868 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414937252 386846766 /nfs/dbraw/zinc/84/67/66/386846766.db2.gz VIWSPWQTTYLDIY-MQYQWHSLSA-N 2 1 240.391 1.778 20 0 BDADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000334786486 386847794 /nfs/dbraw/zinc/84/77/94/386847794.db2.gz SMFDKLGBROPJSY-ZDUSSCGKSA-N 3 1 237.391 1.062 20 0 BDADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[NH3+])CC2 ZINC000414943020 386893511 /nfs/dbraw/zinc/89/35/11/386893511.db2.gz KWXBKOXUIRDNNO-GXFFZTMASA-N 2 1 234.343 1.489 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)C[NH3+])CC2 ZINC000414943019 386893657 /nfs/dbraw/zinc/89/36/57/386893657.db2.gz KWXBKOXUIRDNNO-GWCFXTLKSA-N 2 1 234.343 1.489 20 0 BDADMP Fc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000334833294 386872287 /nfs/dbraw/zinc/87/22/87/386872287.db2.gz OOGDWRRUFMARKF-GDNZZTSVSA-N 2 1 206.264 1.133 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Cl ZINC000334834163 386874768 /nfs/dbraw/zinc/87/47/68/386874768.db2.gz YMKUJGGRWHWLET-PJXYFTJBSA-N 2 1 236.746 1.956 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000366732891 386913523 /nfs/dbraw/zinc/91/35/23/386913523.db2.gz YEZQBAXBZMSZBP-IJLUTSLNSA-N 2 1 237.347 1.459 20 0 BDADMP Cn1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000334868007 386925195 /nfs/dbraw/zinc/92/51/95/386925195.db2.gz HRDOWPLCXBHMJQ-KGLIPLIRSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000334868007 386925199 /nfs/dbraw/zinc/92/51/99/386925199.db2.gz HRDOWPLCXBHMJQ-KGLIPLIRSA-N 2 1 248.374 1.384 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341871858 386979481 /nfs/dbraw/zinc/97/94/81/386979481.db2.gz FVFATLZXXZTDAN-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341871436 386980365 /nfs/dbraw/zinc/98/03/65/386980365.db2.gz FVFATLZXXZTDAN-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000395192495 386981466 /nfs/dbraw/zinc/98/14/66/386981466.db2.gz QTXXFCOYTVBETF-KGYLQXTDSA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000341886238 386984314 /nfs/dbraw/zinc/98/43/14/386984314.db2.gz XRXZDGBWARSHHC-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395201227 386985639 /nfs/dbraw/zinc/98/56/39/386985639.db2.gz VZVBGVPFLFMIPN-MELADBBJSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395201225 386986146 /nfs/dbraw/zinc/98/61/46/386986146.db2.gz VZVBGVPFLFMIPN-IHRRRGAJSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000341900595 386998961 /nfs/dbraw/zinc/99/89/61/386998961.db2.gz QMQIQNMLSMFHIJ-UTUOFQBUSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000341900595 386998967 /nfs/dbraw/zinc/99/89/67/386998967.db2.gz QMQIQNMLSMFHIJ-UTUOFQBUSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCO)C1 ZINC000304327530 387031520 /nfs/dbraw/zinc/03/15/20/387031520.db2.gz TXLKYEQBBORECQ-GFCCVEGCSA-N 2 1 214.353 1.033 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCO)C1 ZINC000304327530 387031523 /nfs/dbraw/zinc/03/15/23/387031523.db2.gz TXLKYEQBBORECQ-GFCCVEGCSA-N 2 1 214.353 1.033 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCO)C1 ZINC000304327530 387031525 /nfs/dbraw/zinc/03/15/25/387031525.db2.gz TXLKYEQBBORECQ-GFCCVEGCSA-N 2 1 214.353 1.033 20 0 BDADMP COc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1C ZINC000161982976 387034735 /nfs/dbraw/zinc/03/47/35/387034735.db2.gz YLZJYBMVJJGCKF-JTQLQIEISA-N 2 1 208.305 1.440 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000070074066 387043258 /nfs/dbraw/zinc/04/32/58/387043258.db2.gz ROCWLZVMLJSVHT-LBPRGKRZSA-N 2 1 222.336 1.123 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000070171901 387045421 /nfs/dbraw/zinc/04/54/21/387045421.db2.gz MOJFEDLIVZKRLV-WCQYABFASA-N 2 1 234.343 1.951 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000359034003 387046139 /nfs/dbraw/zinc/04/61/39/387046139.db2.gz HQXKSUSEKWSSAB-MJBXVCDLSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@]1(F)CNCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000334971546 387056554 /nfs/dbraw/zinc/05/65/54/387056554.db2.gz IWFXAUMUCXVTFP-CYBMUJFWSA-N 3 1 243.370 1.010 20 0 BDADMP C[C@@]1(F)C[NH2+]CCN(CCC2CC[NH2+]CC2)C1 ZINC000334971546 387056558 /nfs/dbraw/zinc/05/65/58/387056558.db2.gz IWFXAUMUCXVTFP-CYBMUJFWSA-N 3 1 243.370 1.010 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCOC2)CC[NH2+]1 ZINC000398890671 387013742 /nfs/dbraw/zinc/01/37/42/387013742.db2.gz MQLWUQHKMKDAMC-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000333119180 387018654 /nfs/dbraw/zinc/01/86/54/387018654.db2.gz HVNZLUYJRXNVRK-AVGNSLFASA-N 2 1 225.380 1.236 20 0 BDADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000333287929 387024383 /nfs/dbraw/zinc/02/43/83/387024383.db2.gz NUIWEEYFLHGONB-YNEHKIRRSA-N 2 1 248.374 1.731 20 0 BDADMP FC(F)COCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000188769577 387080351 /nfs/dbraw/zinc/08/03/51/387080351.db2.gz ZKVVTZIVFIKGFA-QWRGUYRKSA-N 2 1 248.317 1.485 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000359587989 387130751 /nfs/dbraw/zinc/13/07/51/387130751.db2.gz WUQDZGHLYIKYDW-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334994883 387086551 /nfs/dbraw/zinc/08/65/51/387086551.db2.gz WBLCTIRFOQMYFJ-OAHLLOKOSA-N 2 1 245.370 1.844 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228475427 387088706 /nfs/dbraw/zinc/08/87/06/387088706.db2.gz SCBUIJYRLYLVKS-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)n1 ZINC000334998179 387090918 /nfs/dbraw/zinc/09/09/18/387090918.db2.gz LRLKSWCDCCFAGP-HZMBPMFUSA-N 2 1 233.359 1.868 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)n1 ZINC000334998179 387090923 /nfs/dbraw/zinc/09/09/23/387090923.db2.gz LRLKSWCDCCFAGP-HZMBPMFUSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000335008283 387103324 /nfs/dbraw/zinc/10/33/24/387103324.db2.gz RRQHDZMNHPDINH-VOBJUBJWSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[N@H+]1C ZINC000335011471 387106090 /nfs/dbraw/zinc/10/60/90/387106090.db2.gz SXIJHRFSZPCIKQ-CHWSQXEVSA-N 2 1 239.407 1.720 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccn1 ZINC000335011431 387107469 /nfs/dbraw/zinc/10/74/69/387107469.db2.gz MBZJQDXSFPNGRN-NEPJUHHUSA-N 2 1 205.305 1.359 20 0 BDADMP C[C@H]1C[C@H](NCC2([NH3+])CCCCC2)CC[N@H+]1C ZINC000335011476 387107573 /nfs/dbraw/zinc/10/75/73/387107573.db2.gz SXIJHRFSZPCIKQ-QWHCGFSZSA-N 2 1 239.407 1.720 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1(C)CCCC1 ZINC000352365317 387113332 /nfs/dbraw/zinc/11/33/32/387113332.db2.gz QGCJFFCHZQMGQY-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1(C)CCCC1 ZINC000352365317 387113336 /nfs/dbraw/zinc/11/33/36/387113336.db2.gz QGCJFFCHZQMGQY-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1(C)CCCC1)C1CC1 ZINC000352365317 387113340 /nfs/dbraw/zinc/11/33/40/387113340.db2.gz QGCJFFCHZQMGQY-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1(C)CCCC1)C1CC1 ZINC000352365317 387113343 /nfs/dbraw/zinc/11/33/43/387113343.db2.gz QGCJFFCHZQMGQY-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2)CC[N@H+]1C ZINC000247190958 387131961 /nfs/dbraw/zinc/13/19/61/387131961.db2.gz UKZGSURRWGIAJM-IJLUTSLNSA-N 2 1 228.405 1.954 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250366121 387115136 /nfs/dbraw/zinc/11/51/36/387115136.db2.gz FYAUPBBJHNIWSV-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000335027275 387120805 /nfs/dbraw/zinc/12/08/05/387120805.db2.gz QZAWGDDMQWTMPU-NWDGAFQWSA-N 2 1 222.336 1.170 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000423305719 387141784 /nfs/dbraw/zinc/14/17/84/387141784.db2.gz CKWHLIRMVWLZMM-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP Cc1nc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cs1 ZINC000423307182 387143156 /nfs/dbraw/zinc/14/31/56/387143156.db2.gz MTRKXYNYZYHRER-YUMQZZPRSA-N 2 1 213.350 1.697 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H](COC)C(C)C ZINC000423314505 387153970 /nfs/dbraw/zinc/15/39/70/387153970.db2.gz VWRPZVJLXIQJJT-NSHDSACASA-N 2 1 202.342 1.247 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423319337 387158541 /nfs/dbraw/zinc/15/85/41/387158541.db2.gz ZWKJECCOCXEFGR-CYBMUJFWSA-N 2 1 238.379 1.497 20 0 BDADMP COC[C@@H]([NH2+][C@H](C)C[NH3+])C1CCCC1 ZINC000423318221 387160246 /nfs/dbraw/zinc/16/02/46/387160246.db2.gz DBLLGQUZEWEGLX-MWLCHTKSSA-N 2 1 200.326 1.128 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(CC)CC ZINC000423320313 387162530 /nfs/dbraw/zinc/16/25/30/387162530.db2.gz GDWOLBIZHJALJN-GRYCIOLGSA-N 2 1 228.380 1.907 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423320319 387163271 /nfs/dbraw/zinc/16/32/71/387163271.db2.gz GDYSCGZHHLSZPZ-KKFJDGPESA-N 2 1 222.307 1.996 20 0 BDADMP C[C@@H](NCC1(C)CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423322920 387164780 /nfs/dbraw/zinc/16/47/80/387164780.db2.gz HLZGRRMOXCMWSV-VXGBXAGGSA-N 2 1 225.380 1.106 20 0 BDADMP CC[C@H]([NH2+]CCCC[NH3+])[C@H]1CCCCN1 ZINC000423330011 387174207 /nfs/dbraw/zinc/17/42/07/387174207.db2.gz PJPXOCRSQJRROR-NWDGAFQWSA-N 2 1 213.369 1.236 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)OCO2 ZINC000423339697 387187885 /nfs/dbraw/zinc/18/78/85/387187885.db2.gz WSZHXTQJSWINQW-SNVBAGLBSA-N 2 1 248.326 1.947 20 0 BDADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423338545 387187916 /nfs/dbraw/zinc/18/79/16/387187916.db2.gz WAWUPMYZFMMCIJ-MDZLAQPJSA-N 2 1 222.332 1.699 20 0 BDADMP C[C@H]1CC[N@H+](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000309751982 387133344 /nfs/dbraw/zinc/13/33/44/387133344.db2.gz GYBMSDZOLWNJMI-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]1CC[N@@H+](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000309751982 387133348 /nfs/dbraw/zinc/13/33/48/387133348.db2.gz GYBMSDZOLWNJMI-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1N(C)C ZINC000423302516 387134115 /nfs/dbraw/zinc/13/41/15/387134115.db2.gz JTNFPRCCDVBBMV-NSHDSACASA-N 2 1 233.359 1.623 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000423305748 387141242 /nfs/dbraw/zinc/14/12/42/387141242.db2.gz CQKRKZXSHIRPAO-OLZOCXBDSA-N 2 1 240.391 1.923 20 0 BDADMP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000423352996 387206055 /nfs/dbraw/zinc/20/60/55/387206055.db2.gz AVWDARTWAMRFSA-CHWSQXEVSA-N 2 1 236.363 1.603 20 0 BDADMP C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000423356707 387207693 /nfs/dbraw/zinc/20/76/93/387207693.db2.gz HFPOMIPCJQPLBP-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000423427126 387252717 /nfs/dbraw/zinc/25/27/17/387252717.db2.gz IEIXUYWTQBLZTN-JHJVBQTASA-N 2 1 227.396 1.624 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCOC1 ZINC000423362094 387213188 /nfs/dbraw/zinc/21/31/88/387213188.db2.gz MSZXRLVPPKLAEJ-FVCCEPFGSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000423364707 387216234 /nfs/dbraw/zinc/21/62/34/387216234.db2.gz OXYMJFOMSTUPDF-YNEHKIRRSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])C1CCSCC1 ZINC000423368533 387220356 /nfs/dbraw/zinc/22/03/56/387220356.db2.gz NHJGLCRQQUVRMT-DTWKUNHWSA-N 2 1 202.367 1.455 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423371306 387222731 /nfs/dbraw/zinc/22/27/31/387222731.db2.gz VBXOYFGMNUOFON-DGCLKSJQSA-N 2 1 248.374 1.529 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423372350 387225814 /nfs/dbraw/zinc/22/58/14/387225814.db2.gz BERKXHNXRUOXNF-CHWSQXEVSA-N 2 1 238.379 1.495 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000643497201 387228294 /nfs/dbraw/zinc/22/82/94/387228294.db2.gz RGMMZRXFYMNPBM-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423326124 387229016 /nfs/dbraw/zinc/22/90/16/387229016.db2.gz MEYLSLJUEXQJBB-WISYIIOYSA-N 2 1 224.348 1.271 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252662050 387233879 /nfs/dbraw/zinc/23/38/79/387233879.db2.gz TXUAHEFYSBBBGE-STQMWFEESA-N 2 1 233.359 1.742 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252662050 387233886 /nfs/dbraw/zinc/23/38/86/387233886.db2.gz TXUAHEFYSBBBGE-STQMWFEESA-N 2 1 233.359 1.742 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423401503 387238627 /nfs/dbraw/zinc/23/86/27/387238627.db2.gz QXQFIUMBDQJVHY-QNWHQSFQSA-N 2 1 226.364 1.519 20 0 BDADMP c1cnn([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000336409497 387238903 /nfs/dbraw/zinc/23/89/03/387238903.db2.gz YNOMDLSGJMVJSR-KBPBESRZSA-N 2 1 248.374 1.520 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000194950052 387253706 /nfs/dbraw/zinc/25/37/06/387253706.db2.gz YNIJWNPZWLTDMU-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP N[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423415253 387249358 /nfs/dbraw/zinc/24/93/58/387249358.db2.gz AKDNJIBSLQVRKF-CYDGBPFRSA-N 2 1 225.380 1.221 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643496167 387197364 /nfs/dbraw/zinc/19/73/64/387197364.db2.gz IITRXDKSBNEVCI-ZDUSSCGKSA-N 2 1 204.317 1.482 20 0 BDADMP C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423461963 387310571 /nfs/dbraw/zinc/31/05/71/387310571.db2.gz DAXXMXQLFQRZJO-LOWDOPEQSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCCN1 ZINC000423465976 387312914 /nfs/dbraw/zinc/31/29/14/387312914.db2.gz AGTITRPOTRULHB-MCIONIFRSA-N 2 1 239.407 1.639 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)[C@H]1C ZINC000423468029 387314652 /nfs/dbraw/zinc/31/46/52/387314652.db2.gz FCCKQEYEZLZNSA-YTWAJWBKSA-N 2 1 232.318 1.865 20 0 BDADMP C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423429026 387254120 /nfs/dbraw/zinc/25/41/20/387254120.db2.gz JVRVXTYQRSEFEN-SCUASFONSA-N 2 1 237.391 1.105 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000423375412 387255977 /nfs/dbraw/zinc/25/59/77/387255977.db2.gz KLBRVTFKLAYQQX-WOPDTQHZSA-N 3 1 213.369 1.234 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000423375411 387256503 /nfs/dbraw/zinc/25/65/03/387256503.db2.gz KLBRVTFKLAYQQX-UTUOFQBUSA-N 3 1 213.369 1.234 20 0 BDADMP c1cncc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCC2)c1 ZINC000423430501 387260265 /nfs/dbraw/zinc/26/02/65/387260265.db2.gz KXOQVPFWUCIPDQ-BARDWOONSA-N 2 1 243.354 1.730 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000352504967 387267647 /nfs/dbraw/zinc/26/76/47/387267647.db2.gz WPNJFHDMDUBDMD-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000352504967 387267654 /nfs/dbraw/zinc/26/76/54/387267654.db2.gz WPNJFHDMDUBDMD-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423387018 387270378 /nfs/dbraw/zinc/27/03/78/387270378.db2.gz SGYXFJFDUMGSRB-UMSGYPCISA-N 2 1 227.396 1.303 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cncc(F)c1 ZINC000423392735 387278275 /nfs/dbraw/zinc/27/82/75/387278275.db2.gz LYNYSXYWGMXJKX-KWBADKCTSA-N 2 1 237.322 1.869 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc[nH+]1 ZINC000572246968 387278960 /nfs/dbraw/zinc/27/89/60/387278960.db2.gz OYSZGWNXBDVLMT-CYBMUJFWSA-N 2 1 248.330 1.228 20 0 BDADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[NH2+]C ZINC000423394601 387282513 /nfs/dbraw/zinc/28/25/13/387282513.db2.gz QJVGDUHPASCJFS-GRYCIOLGSA-N 2 1 214.353 1.389 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000643499025 387284179 /nfs/dbraw/zinc/28/41/79/387284179.db2.gz NHAJIKCRIQPNRI-SECBINFHSA-N 2 1 210.325 1.368 20 0 BDADMP CCC(CC)[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000514737608 387284430 /nfs/dbraw/zinc/28/44/30/387284430.db2.gz PNDFWHNCOIGCLH-CYBMUJFWSA-N 2 1 230.396 1.810 20 0 BDADMP CCC(CC)[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000514737608 387284436 /nfs/dbraw/zinc/28/44/36/387284436.db2.gz PNDFWHNCOIGCLH-CYBMUJFWSA-N 2 1 230.396 1.810 20 0 BDADMP CCC(CC)[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000514737608 387284443 /nfs/dbraw/zinc/28/44/43/387284443.db2.gz PNDFWHNCOIGCLH-CYBMUJFWSA-N 2 1 230.396 1.810 20 0 BDADMP CCC(CC)[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000514737608 387284448 /nfs/dbraw/zinc/28/44/48/387284448.db2.gz PNDFWHNCOIGCLH-CYBMUJFWSA-N 2 1 230.396 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)O)C1 ZINC000360436837 387284495 /nfs/dbraw/zinc/28/44/95/387284495.db2.gz KFGHZGLNQROJIR-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000360436837 387284500 /nfs/dbraw/zinc/28/45/00/387284500.db2.gz KFGHZGLNQROJIR-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000360436837 387284503 /nfs/dbraw/zinc/28/45/03/387284503.db2.gz KFGHZGLNQROJIR-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccnc1 ZINC000423436928 387286973 /nfs/dbraw/zinc/28/69/73/387286973.db2.gz QAIGHVIGGPLKFD-RFQIPJPRSA-N 2 1 231.343 1.586 20 0 BDADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423439083 387288527 /nfs/dbraw/zinc/28/85/27/387288527.db2.gz SFIWPWFBUKKNJW-RFQIPJPRSA-N 2 1 232.302 1.620 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000258842886 387303352 /nfs/dbraw/zinc/30/33/52/387303352.db2.gz DVEXNQGONOXNOF-NEPJUHHUSA-N 2 1 208.280 1.795 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000258842892 387303949 /nfs/dbraw/zinc/30/39/49/387303949.db2.gz DVEXNQGONOXNOF-VXGBXAGGSA-N 2 1 208.280 1.795 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423455591 387304152 /nfs/dbraw/zinc/30/41/52/387304152.db2.gz MQTIUKDALPWDGA-SYQHCUMBSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000423455591 387304156 /nfs/dbraw/zinc/30/41/56/387304156.db2.gz MQTIUKDALPWDGA-SYQHCUMBSA-N 2 1 239.407 1.576 20 0 BDADMP C[N@@H+](Cc1cc[nH]c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372547794 387308082 /nfs/dbraw/zinc/30/80/82/387308082.db2.gz ZAPVRXCCGUDJBA-ZDUSSCGKSA-N 2 1 244.342 1.906 20 0 BDADMP C[N@H+](Cc1cc[nH]c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372547794 387308087 /nfs/dbraw/zinc/30/80/87/387308087.db2.gz ZAPVRXCCGUDJBA-ZDUSSCGKSA-N 2 1 244.342 1.906 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000423527806 387355685 /nfs/dbraw/zinc/35/56/85/387355685.db2.gz VZOLGUZLKQNBAW-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1c[nH+]ccc1N ZINC000423482638 387329255 /nfs/dbraw/zinc/32/92/55/387329255.db2.gz PLRREBRRNCRBGJ-RYUDHWBXSA-N 3 1 248.374 1.677 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000036321637 387382805 /nfs/dbraw/zinc/38/28/05/387382805.db2.gz RIZFBKGQQVYJDA-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccncc1 ZINC000423493745 387338541 /nfs/dbraw/zinc/33/85/41/387338541.db2.gz QZXIOXBEHNVMAB-KBPBESRZSA-N 2 1 249.358 1.501 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121888095 387427338 /nfs/dbraw/zinc/42/73/38/387427338.db2.gz SXSJSETXRGJOQE-NEPJUHHUSA-N 2 1 228.380 1.610 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374180272 387429159 /nfs/dbraw/zinc/42/91/59/387429159.db2.gz ZKYHHUVHBYXYMF-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000516044822 387449605 /nfs/dbraw/zinc/44/96/05/387449605.db2.gz UDRUJTVYPKLNKB-GXTWGEPZSA-N 3 1 239.407 1.306 20 0 BDADMP CCN1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000516044822 387449608 /nfs/dbraw/zinc/44/96/08/387449608.db2.gz UDRUJTVYPKLNKB-GXTWGEPZSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)C[C@@H](C)OC ZINC000361568049 387496229 /nfs/dbraw/zinc/49/62/29/387496229.db2.gz YAZPIWVLZLNZFI-LLVKDONJSA-N 2 1 225.336 1.548 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)C[C@@H](C)OC ZINC000361568049 387496230 /nfs/dbraw/zinc/49/62/30/387496230.db2.gz YAZPIWVLZLNZFI-LLVKDONJSA-N 2 1 225.336 1.548 20 0 BDADMP CC[C@@H](C)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000122232214 387501870 /nfs/dbraw/zinc/50/18/70/387501870.db2.gz ZTTMKESRVGQCLQ-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC)[C@@H]1CCOC1 ZINC000361591461 387505828 /nfs/dbraw/zinc/50/58/28/387505828.db2.gz ZWGJGPZELLQGFY-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000054788390 387514317 /nfs/dbraw/zinc/51/43/17/387514317.db2.gz ZRAHCEPDGAFLMB-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000054788390 387514324 /nfs/dbraw/zinc/51/43/24/387514324.db2.gz ZRAHCEPDGAFLMB-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000516469829 387514669 /nfs/dbraw/zinc/51/46/69/387514669.db2.gz UZUWPDYXLCDMJD-CYBMUJFWSA-N 2 1 219.332 1.480 20 0 BDADMP CC[NH+](CC)CCN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000375215797 387517501 /nfs/dbraw/zinc/51/75/01/387517501.db2.gz PQNXBDVMSVAEAF-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000361766046 387531256 /nfs/dbraw/zinc/53/12/56/387531256.db2.gz RCNPXNYZRYSADN-RYUDHWBXSA-N 2 1 239.363 1.985 20 0 BDADMP C(C[NH2+][C@@H]1CC[C@H]1C1CCC1)[NH2+]C1CC1 ZINC000643508017 387481587 /nfs/dbraw/zinc/48/15/87/387481587.db2.gz ZUERLTDYGWSPBI-QWHCGFSZSA-N 2 1 208.349 1.907 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507504 387486984 /nfs/dbraw/zinc/48/69/84/387486984.db2.gz GYWPIOITWORXKU-AAEUAGOBSA-N 2 1 226.364 1.533 20 0 BDADMP CCC1(O)CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000643474199 387488083 /nfs/dbraw/zinc/48/80/83/387488083.db2.gz NHMKRRRDZUILEO-RJZJGCCBSA-N 2 1 240.391 1.658 20 0 BDADMP CCOC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422638735 387611566 /nfs/dbraw/zinc/61/15/66/387611566.db2.gz RHAQRPIDVSTSQP-SRVKXCTJSA-N 2 1 242.363 1.245 20 0 BDADMP Cc1c[nH]nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000356079045 387613135 /nfs/dbraw/zinc/61/31/35/387613135.db2.gz AHRZDRRVFRFUMJ-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422708812 387622889 /nfs/dbraw/zinc/62/28/89/387622889.db2.gz JKDJKQCIRVZOOD-ZIAGYGMSSA-N 2 1 241.423 1.839 20 0 BDADMP CCCC[N@@H+](C)CCNC1CC[NH2+]CC1 ZINC000422712502 387625716 /nfs/dbraw/zinc/62/57/16/387625716.db2.gz OKAVFHKZACBIHI-UHFFFAOYSA-N 2 1 213.369 1.060 20 0 BDADMP C[N@H+](C/C=C/c1ccncc1)C[C@@H]1CC[NH+](C)C1 ZINC000426168152 387546757 /nfs/dbraw/zinc/54/67/57/387546757.db2.gz XYVVEFSUGNBQHN-BWPKMQGJSA-N 2 1 245.370 1.978 20 0 BDADMP C[N@@H+](C/C=C/c1ccncc1)C[C@@H]1CC[NH+](C)C1 ZINC000426168152 387546761 /nfs/dbraw/zinc/54/67/61/387546761.db2.gz XYVVEFSUGNBQHN-BWPKMQGJSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C/C=C/c1ccncc1)C[C@@H]1CC[N@H+](C)C1 ZINC000426168152 387546763 /nfs/dbraw/zinc/54/67/63/387546763.db2.gz XYVVEFSUGNBQHN-BWPKMQGJSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C/C=C/c1ccncc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000426168152 387546765 /nfs/dbraw/zinc/54/67/65/387546765.db2.gz XYVVEFSUGNBQHN-BWPKMQGJSA-N 2 1 245.370 1.978 20 0 BDADMP CCc1noc(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430547148 387627088 /nfs/dbraw/zinc/62/70/88/387627088.db2.gz TXQQDVWZSFFJQF-UHFFFAOYSA-N 2 1 239.363 1.962 20 0 BDADMP CCc1noc(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430547148 387627091 /nfs/dbraw/zinc/62/70/91/387627091.db2.gz TXQQDVWZSFFJQF-UHFFFAOYSA-N 2 1 239.363 1.962 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266627 387552313 /nfs/dbraw/zinc/55/23/13/387552313.db2.gz ZFJPPVDUMGBDTL-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266627 387552315 /nfs/dbraw/zinc/55/23/15/387552315.db2.gz ZFJPPVDUMGBDTL-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266627 387552321 /nfs/dbraw/zinc/55/23/21/387552321.db2.gz ZFJPPVDUMGBDTL-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000430590680 387629782 /nfs/dbraw/zinc/62/97/82/387629782.db2.gz LSHUEKULTNIUBF-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422719148 387631226 /nfs/dbraw/zinc/63/12/26/387631226.db2.gz XQFSFSNLCNHAHU-WUHRBBMRSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)[C@@](C)(CN)[NH2+]CC(=O)Nc1ccccc1 ZINC000430595061 387631681 /nfs/dbraw/zinc/63/16/81/387631681.db2.gz XBEBWFVZOAWUCM-CQSZACIVSA-N 2 1 249.358 1.588 20 0 BDADMP CC[N@@H+](C)CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422722524 387632850 /nfs/dbraw/zinc/63/28/50/387632850.db2.gz YGAKNUAGHYIKAT-ZFWWWQNUSA-N 2 1 249.402 1.486 20 0 BDADMP COc1ccc(CC[NH2+][C@](C)(C[NH3+])C2CC2)cc1 ZINC000430603635 387633480 /nfs/dbraw/zinc/63/34/80/387633480.db2.gz YWTBYKMQLCEPIP-OAHLLOKOSA-N 2 1 248.370 1.955 20 0 BDADMP CCCCOCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422726191 387635156 /nfs/dbraw/zinc/63/51/56/387635156.db2.gz DJWADCDJRKRCMO-CHWSQXEVSA-N 2 1 228.380 1.781 20 0 BDADMP CCOCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422726463 387635898 /nfs/dbraw/zinc/63/58/98/387635898.db2.gz ZZZRLCOHTGQIMT-LLVKDONJSA-N 2 1 237.347 1.961 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422725051 387636723 /nfs/dbraw/zinc/63/67/23/387636723.db2.gz AGTZEDRQRGKTFK-KBPBESRZSA-N 3 1 241.423 1.696 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422734461 387642569 /nfs/dbraw/zinc/64/25/69/387642569.db2.gz SITVRCNSWJENMW-MGPQQGTHSA-N 2 1 241.423 1.966 20 0 BDADMP COCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422741875 387648684 /nfs/dbraw/zinc/64/86/84/387648684.db2.gz FISJDTVNCMAWBO-DGCLKSJQSA-N 2 1 222.332 1.181 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422745444 387649349 /nfs/dbraw/zinc/64/93/49/387649349.db2.gz VEENQLOZTAADBS-MGPQQGTHSA-N 2 1 239.407 1.576 20 0 BDADMP COCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000149255255 387650180 /nfs/dbraw/zinc/65/01/80/387650180.db2.gz XGKDXODWOBUAQE-MNOVXSKESA-N 2 1 200.326 1.095 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422747625 387651057 /nfs/dbraw/zinc/65/10/57/387651057.db2.gz ZCLSCNWPQDGYND-VHDGCEQUSA-N 2 1 248.370 1.320 20 0 BDADMP CSCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422749921 387654905 /nfs/dbraw/zinc/65/49/05/387654905.db2.gz BMGHLKGCOATEHF-NXEZZACHSA-N 2 1 202.367 1.327 20 0 BDADMP CSC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422751109 387655530 /nfs/dbraw/zinc/65/55/30/387655530.db2.gz FDUHJWVCJLUFKW-KXUCPTDWSA-N 2 1 202.367 1.468 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1F ZINC000422749849 387656179 /nfs/dbraw/zinc/65/61/79/387656179.db2.gz BDERMMGQPWAEHT-VXGBXAGGSA-N 2 1 238.306 1.674 20 0 BDADMP COc1ccccc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422756019 387658941 /nfs/dbraw/zinc/65/89/41/387658941.db2.gz IPNZJYQVTYKQOX-OCCSQVGLSA-N 2 1 248.370 1.825 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)C1C[NH2+]C1 ZINC000422756457 387660831 /nfs/dbraw/zinc/66/08/31/387660831.db2.gz LMWRBPVKFHNMNG-DOMZBBRYSA-N 2 1 247.386 1.487 20 0 BDADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000422758033 387661104 /nfs/dbraw/zinc/66/11/04/387661104.db2.gz DQIBDXLGZXXUFI-JHJVBQTASA-N 2 1 240.391 1.778 20 0 BDADMP COCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125542812 387661508 /nfs/dbraw/zinc/66/15/08/387661508.db2.gz CVHQSTNNAQBYNP-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422761491 387664090 /nfs/dbraw/zinc/66/40/90/387664090.db2.gz MQLWNXGQMYPSBI-ZOBORPQBSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422761491 387664094 /nfs/dbraw/zinc/66/40/94/387664094.db2.gz MQLWNXGQMYPSBI-ZOBORPQBSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccs1 ZINC000422764615 387664933 /nfs/dbraw/zinc/66/49/33/387664933.db2.gz VHFWDZPIJJHSPT-PWSUYJOCSA-N 2 1 224.373 1.878 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000305947041 387668197 /nfs/dbraw/zinc/66/81/97/387668197.db2.gz GVJZDFHBGNTDQC-NWDGAFQWSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422769549 387668514 /nfs/dbraw/zinc/66/85/14/387668514.db2.gz VEJLPXUFSGYDJD-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP CCC[N@@H+](CCOCC1CC1)C1CC[NH2+]CC1 ZINC000431072086 387675596 /nfs/dbraw/zinc/67/55/96/387675596.db2.gz DGHKSXQJEZJABK-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422743797 387691417 /nfs/dbraw/zinc/69/14/17/387691417.db2.gz RWTOWDRIBUDBGW-IHRRRGAJSA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422743797 387691423 /nfs/dbraw/zinc/69/14/23/387691423.db2.gz RWTOWDRIBUDBGW-IHRRRGAJSA-N 3 1 241.423 1.822 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422743797 387691430 /nfs/dbraw/zinc/69/14/30/387691430.db2.gz RWTOWDRIBUDBGW-IHRRRGAJSA-N 3 1 241.423 1.822 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422791238 387691832 /nfs/dbraw/zinc/69/18/32/387691832.db2.gz YIDVWTFUPXJQLK-XQQFMLRXSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1C1CC1 ZINC000422871871 387749270 /nfs/dbraw/zinc/74/92/70/387749270.db2.gz ZXQXANVCUAXFRP-CZXHOFHRSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000422873819 387751889 /nfs/dbraw/zinc/75/18/89/387751889.db2.gz BFVOKIRQKHPTGC-CRWXNKLISA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CC12CC2 ZINC000527843635 387753614 /nfs/dbraw/zinc/75/36/14/387753614.db2.gz CDOCMSWDMCMNFD-JQWIXIFHSA-N 2 1 208.349 1.859 20 0 BDADMP CCc1cnc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000422796946 387699447 /nfs/dbraw/zinc/69/94/47/387699447.db2.gz ZPDPCRMQXLVOII-BDAKNGLRSA-N 2 1 227.377 1.921 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(C)C ZINC000422801014 387702622 /nfs/dbraw/zinc/70/26/22/387702622.db2.gz AVBZARMWDRHDOS-GWCFXTLKSA-N 2 1 237.347 1.816 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000045107833 387706982 /nfs/dbraw/zinc/70/69/82/387706982.db2.gz JNDJICDSFUGCLY-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP COCc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422808559 387709021 /nfs/dbraw/zinc/70/90/21/387709021.db2.gz OKLZXFUNFLCZDX-KGLIPLIRSA-N 2 1 234.343 1.802 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422810912 387709084 /nfs/dbraw/zinc/70/90/84/387709084.db2.gz UYFCIKKECAVSQV-ZIAGYGMSSA-N 2 1 247.342 1.614 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000643521000 387709481 /nfs/dbraw/zinc/70/94/81/387709481.db2.gz WZJFPQVFGLMQFH-YRGRVCCFSA-N 3 1 239.407 1.304 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422817131 387715062 /nfs/dbraw/zinc/71/50/62/387715062.db2.gz GUJCDSSWYHIEMC-STQMWFEESA-N 3 1 241.423 1.822 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422817315 387715404 /nfs/dbraw/zinc/71/54/04/387715404.db2.gz CVIXQBNJZTXAFE-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP CC[C@H]([NH2+]CCc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000422824007 387719587 /nfs/dbraw/zinc/71/95/87/387719587.db2.gz FWCNRJFGPMKOCZ-KBPBESRZSA-N 2 1 233.359 1.744 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422824118 387719821 /nfs/dbraw/zinc/71/98/21/387719821.db2.gz MYIDCHLRENINNO-NWDGAFQWSA-N 2 1 215.385 1.434 20 0 BDADMP C[C@H](F)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367523390 387720422 /nfs/dbraw/zinc/72/04/22/387720422.db2.gz OMHBSUAKVDUPMW-GARJFASQSA-N 2 1 200.301 1.228 20 0 BDADMP C[C@H](F)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000367523390 387720427 /nfs/dbraw/zinc/72/04/27/387720427.db2.gz OMHBSUAKVDUPMW-GARJFASQSA-N 2 1 200.301 1.228 20 0 BDADMP C[C@H](F)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367523390 387720432 /nfs/dbraw/zinc/72/04/32/387720432.db2.gz OMHBSUAKVDUPMW-GARJFASQSA-N 2 1 200.301 1.228 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422834286 387726521 /nfs/dbraw/zinc/72/65/21/387726521.db2.gz NREZZSVEPVHBOF-MBNYWOFBSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422838088 387729566 /nfs/dbraw/zinc/72/95/66/387729566.db2.gz VZTUCJMTGTXXLE-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000356968007 387756017 /nfs/dbraw/zinc/75/60/17/387756017.db2.gz AUUAIVGEVCUQSH-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000356968007 387756021 /nfs/dbraw/zinc/75/60/21/387756021.db2.gz AUUAIVGEVCUQSH-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[C@H]1CCC[N@H+]1C ZINC000356968007 387756025 /nfs/dbraw/zinc/75/60/25/387756025.db2.gz AUUAIVGEVCUQSH-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422858255 387740089 /nfs/dbraw/zinc/74/00/89/387740089.db2.gz IEVBZJONANWBRZ-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422857396 387741314 /nfs/dbraw/zinc/74/13/14/387741314.db2.gz HIVKSHLLFYIYLF-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CCCC[C@H]1C ZINC000422856808 387741795 /nfs/dbraw/zinc/74/17/95/387741795.db2.gz GPHXAMFQOMEBPD-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCCC[C@H]1C ZINC000422856808 387741802 /nfs/dbraw/zinc/74/18/02/387741802.db2.gz GPHXAMFQOMEBPD-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000422894486 387765150 /nfs/dbraw/zinc/76/51/50/387765150.db2.gz CKWBIUWQIOMPDW-XDQVBPFNSA-N 2 1 237.391 1.343 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422897805 387766553 /nfs/dbraw/zinc/76/65/53/387766553.db2.gz CXBHBOLGZQBFBY-AGIUHOORSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1nccs1 ZINC000422913845 387770943 /nfs/dbraw/zinc/77/09/43/387770943.db2.gz QXMIPOLFLFNUME-GHMZBOCLSA-N 2 1 239.388 1.663 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000643529105 387775354 /nfs/dbraw/zinc/77/53/54/387775354.db2.gz VGPGQQPIYADCTG-NXEZZACHSA-N 2 1 220.316 1.715 20 0 BDADMP Cc1cccc(OCC[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422928203 387779014 /nfs/dbraw/zinc/77/90/14/387779014.db2.gz JMUMVJKXJPPXIS-KBPBESRZSA-N 2 1 234.343 1.843 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422933873 387783682 /nfs/dbraw/zinc/78/36/82/387783682.db2.gz IPSNUYIBJVBQKY-BDAKNGLRSA-N 2 1 225.361 1.896 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422901117 387785354 /nfs/dbraw/zinc/78/53/54/387785354.db2.gz BPTVCWJSMAWKDS-RDBSUJKOSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000432363647 387785503 /nfs/dbraw/zinc/78/55/03/387785503.db2.gz WNTURGBQKGZZHZ-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000432363647 387785504 /nfs/dbraw/zinc/78/55/04/387785504.db2.gz WNTURGBQKGZZHZ-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422977959 387789261 /nfs/dbraw/zinc/78/92/61/387789261.db2.gz YCSPWTSFLOUIPL-FRRDWIJNSA-N 2 1 227.396 1.434 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422977959 387789265 /nfs/dbraw/zinc/78/92/65/387789265.db2.gz YCSPWTSFLOUIPL-FRRDWIJNSA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422977959 387789267 /nfs/dbraw/zinc/78/92/67/387789267.db2.gz YCSPWTSFLOUIPL-FRRDWIJNSA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422980706 387792097 /nfs/dbraw/zinc/79/20/97/387792097.db2.gz QQZIPGLUTQMGHT-MFKMUULPSA-N 2 1 237.347 1.552 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422982169 387793411 /nfs/dbraw/zinc/79/34/11/387793411.db2.gz VTUVGPMSFAVZHG-NXEZZACHSA-N 2 1 223.320 1.306 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])n[nH]1 ZINC000422987922 387797604 /nfs/dbraw/zinc/79/76/04/387797604.db2.gz HVEQISBDMOUCNF-MNOVXSKESA-N 2 1 238.379 1.756 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCCCOC)CC1 ZINC000157454778 387798469 /nfs/dbraw/zinc/79/84/69/387798469.db2.gz SUMKOMNNNIIOOF-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCCCOC)CC1 ZINC000157454778 387798474 /nfs/dbraw/zinc/79/84/74/387798474.db2.gz SUMKOMNNNIIOOF-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])n[nH]1 ZINC000422987921 387798794 /nfs/dbraw/zinc/79/87/94/387798794.db2.gz HVEQISBDMOUCNF-GHMZBOCLSA-N 2 1 238.379 1.756 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C12CC(C1)CO2 ZINC000527982355 387800555 /nfs/dbraw/zinc/80/05/55/387800555.db2.gz SZBGNLQZRLVQEQ-UHFFFAOYSA-N 2 1 236.359 1.382 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422999456 387805417 /nfs/dbraw/zinc/80/54/17/387805417.db2.gz FDWJARSPCVOWAF-NWDGAFQWSA-N 2 1 228.380 1.373 20 0 BDADMP COC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(C)o1 ZINC000423001192 387805985 /nfs/dbraw/zinc/80/59/85/387805985.db2.gz DEQCLDHDKSJEMG-NHCYSSNCSA-N 2 1 240.347 1.991 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])on1 ZINC000643457212 387808378 /nfs/dbraw/zinc/80/83/78/387808378.db2.gz DYXQKZSCUZIVRO-GXFFZTMASA-N 2 1 237.347 1.844 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000528001132 387808571 /nfs/dbraw/zinc/80/85/71/387808571.db2.gz HPGSEVGWHLTROK-XZUYRWCXSA-N 2 1 226.364 1.482 20 0 BDADMP COC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000422953406 387809768 /nfs/dbraw/zinc/80/97/68/387809768.db2.gz FHEOOTGFXIIBNN-AWEZNQCLSA-N 2 1 234.343 1.716 20 0 BDADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000422961458 387810944 /nfs/dbraw/zinc/81/09/44/387810944.db2.gz CBDUPQCPPNQAOK-FUNVUKJBSA-N 2 1 247.342 1.463 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000422887972 387760902 /nfs/dbraw/zinc/76/09/02/387760902.db2.gz BUYMWFOCBOVNBU-RKDXNWHRSA-N 2 1 211.284 1.436 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422885142 387761548 /nfs/dbraw/zinc/76/15/48/387761548.db2.gz YFPJQLNOBOYSDG-RYUDHWBXSA-N 2 1 215.385 1.432 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422974474 387823733 /nfs/dbraw/zinc/82/37/33/387823733.db2.gz RCEZBMWNDJREJI-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422974474 387823735 /nfs/dbraw/zinc/82/37/35/387823735.db2.gz RCEZBMWNDJREJI-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422974474 387823739 /nfs/dbraw/zinc/82/37/39/387823739.db2.gz RCEZBMWNDJREJI-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)Oc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cn1 ZINC000422975029 387824670 /nfs/dbraw/zinc/82/46/70/387824670.db2.gz SAMLTVAQJKNQNS-LLVKDONJSA-N 2 1 249.358 1.566 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000423003565 387825428 /nfs/dbraw/zinc/82/54/28/387825428.db2.gz HXWKKHKFXUJYRP-VOAKCMCISA-N 2 1 226.364 1.125 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423007520 387828238 /nfs/dbraw/zinc/82/82/38/387828238.db2.gz QUBBOKFUKCPODU-JHJVBQTASA-N 2 1 228.380 1.373 20 0 BDADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423005513 387828470 /nfs/dbraw/zinc/82/84/70/387828470.db2.gz MJWBDAGXJNXOQO-IXXDHKBRSA-N 2 1 246.354 1.593 20 0 BDADMP CC[C@H]([NH2+]CCNc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000423007537 387829898 /nfs/dbraw/zinc/82/98/98/387829898.db2.gz QWPUQVLTSOMFKJ-STQMWFEESA-N 2 1 248.374 1.614 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccncc1 ZINC000423009168 387830811 /nfs/dbraw/zinc/83/08/11/387830811.db2.gz VALQMULABKNIKA-YPMHNXCESA-N 2 1 219.332 1.212 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423013078 387836858 /nfs/dbraw/zinc/83/68/58/387836858.db2.gz MADSTAHEJRLJEL-RVMXOQNASA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423016348 387841825 /nfs/dbraw/zinc/84/18/25/387841825.db2.gz MHYCRCKLMKWQAJ-XQQFMLRXSA-N 2 1 240.391 1.514 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032732 387848015 /nfs/dbraw/zinc/84/80/15/387848015.db2.gz NBGCKNMQVKTMKI-QNWHQSFQSA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)OCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423034788 387848192 /nfs/dbraw/zinc/84/81/92/387848192.db2.gz IIFUFUAJOUGXBT-JTQLQIEISA-N 2 1 223.320 1.570 20 0 BDADMP Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1 ZINC000643533596 387848250 /nfs/dbraw/zinc/84/82/50/387848250.db2.gz VMOANMVDTZHDJW-SCUASFONSA-N 2 1 231.343 1.567 20 0 BDADMP COCCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423033780 387849448 /nfs/dbraw/zinc/84/94/48/387849448.db2.gz GXOGYJVYHDEQOD-NEPJUHHUSA-N 2 1 228.380 1.637 20 0 BDADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1C ZINC000423034156 387849466 /nfs/dbraw/zinc/84/94/66/387849466.db2.gz PMIFKRZYGLBJDQ-BEUHCMRWSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1C ZINC000423034156 387849470 /nfs/dbraw/zinc/84/94/70/387849470.db2.gz PMIFKRZYGLBJDQ-BEUHCMRWSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000423052715 387859945 /nfs/dbraw/zinc/85/99/45/387859945.db2.gz RBNAQJGEJXPAKO-YGOYTEALSA-N 2 1 238.306 1.975 20 0 BDADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423055453 387862600 /nfs/dbraw/zinc/86/26/00/387862600.db2.gz WCZWQZFLVCRKQH-UONOGXRCSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)C1C[NH2+]C1 ZINC000423069740 387872559 /nfs/dbraw/zinc/87/25/59/387872559.db2.gz BSKUBOJFAWAYJV-BXUZGUMPSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC000648430001 387817353 /nfs/dbraw/zinc/81/73/53/387817353.db2.gz BWAPKXHZBQHZCA-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccn1 ZINC000422968361 387817380 /nfs/dbraw/zinc/81/73/80/387817380.db2.gz WNCMUUFBWPQDOE-CHWSQXEVSA-N 2 1 249.358 1.840 20 0 BDADMP CCC[C@@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194537239 387889969 /nfs/dbraw/zinc/88/99/69/387889969.db2.gz WYJFWWXPDCLPQG-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP CCC[C@@H](C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194537239 387889972 /nfs/dbraw/zinc/88/99/72/387889972.db2.gz WYJFWWXPDCLPQG-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP CCC[C@@H](C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194537239 387889975 /nfs/dbraw/zinc/88/99/75/387889975.db2.gz WYJFWWXPDCLPQG-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOC(F)F ZINC000423108257 387892950 /nfs/dbraw/zinc/89/29/50/387892950.db2.gz GAOFKRVSIYWEED-BDAKNGLRSA-N 2 1 222.279 1.203 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423115495 387895169 /nfs/dbraw/zinc/89/51/69/387895169.db2.gz YASUXMWVXBGMME-HTOAHKCRSA-N 2 1 238.375 1.532 20 0 BDADMP CCOC1CC(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423076822 387875693 /nfs/dbraw/zinc/87/56/93/387875693.db2.gz ZWRJPMJBDKOYSA-BLYZHGLHSA-N 2 1 240.391 1.779 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000423085866 387880746 /nfs/dbraw/zinc/88/07/46/387880746.db2.gz LRQXJGFSGHBOSB-AGIUHOORSA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423085866 387880749 /nfs/dbraw/zinc/88/07/49/387880749.db2.gz LRQXJGFSGHBOSB-AGIUHOORSA-N 2 1 239.407 1.576 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000423115940 387898686 /nfs/dbraw/zinc/89/86/86/387898686.db2.gz ZBXBHQWHMJXBMF-XQQFMLRXSA-N 2 1 225.380 1.330 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423120412 387900155 /nfs/dbraw/zinc/90/01/55/387900155.db2.gz GLBKPGAOWRIHRY-AVGNSLFASA-N 2 1 227.396 1.445 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000423120282 387900281 /nfs/dbraw/zinc/90/02/81/387900281.db2.gz GRQDVQFSFGNJHN-DBIOUOCHSA-N 2 1 200.301 1.465 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423119462 387900547 /nfs/dbraw/zinc/90/05/47/387900547.db2.gz CKLIUTQPKVLITO-WOPDTQHZSA-N 2 1 215.385 1.431 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423119459 387900769 /nfs/dbraw/zinc/90/07/69/387900769.db2.gz CKLIUTQPKVLITO-SRVKXCTJSA-N 2 1 215.385 1.431 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)[C@@H]1CC[NH2+]C1 ZINC000423124251 387902523 /nfs/dbraw/zinc/90/25/23/387902523.db2.gz OBHUVFJZCVUHGP-ZYHUDNBSSA-N 2 1 244.342 1.651 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423129429 387907113 /nfs/dbraw/zinc/90/71/13/387907113.db2.gz XAHBDMJPFGQXQI-MGPQQGTHSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423152388 387929816 /nfs/dbraw/zinc/92/98/16/387929816.db2.gz FUQLFZCZSFDXSY-GMXVVIOVSA-N 2 1 236.363 1.081 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423167288 387952495 /nfs/dbraw/zinc/95/24/95/387952495.db2.gz RYCMPLGOPNKDII-RVMXOQNASA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423167468 387952742 /nfs/dbraw/zinc/95/27/42/387952742.db2.gz WSKKRJKITNHRSL-AVGNSLFASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1c[nH+]ccc1N ZINC000423169884 387955374 /nfs/dbraw/zinc/95/53/74/387955374.db2.gz WUQXEOGYGKAPNF-OUAUKWLOSA-N 2 1 235.331 1.712 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423160468 387940827 /nfs/dbraw/zinc/94/08/27/387940827.db2.gz HKMDYVMOARCURE-WUHRBBMRSA-N 2 1 226.364 1.674 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424238082 387941787 /nfs/dbraw/zinc/94/17/87/387941787.db2.gz KOTFRUWSLMYSRZ-UHFFFAOYSA-N 2 1 249.358 1.734 20 0 BDADMP Cc1cccnc1CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423159583 387941848 /nfs/dbraw/zinc/94/18/48/387941848.db2.gz YJHVXIVGLRKETR-UKRRQHHQSA-N 2 1 247.386 1.910 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322125909 387942622 /nfs/dbraw/zinc/94/26/22/387942622.db2.gz DAEGPAWLSMRJPH-FOGDFJRCSA-N 2 1 207.321 1.826 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423161230 387942621 /nfs/dbraw/zinc/94/26/21/387942621.db2.gz RSSBUVDVDJUGCC-NXEZZACHSA-N 2 1 237.347 1.694 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cncn2C)C[C@@H](C2CC2)O1 ZINC000459447717 387945666 /nfs/dbraw/zinc/94/56/66/387945666.db2.gz UXPILCIAJJOOHB-RISCZKNCSA-N 2 1 249.358 1.462 20 0 BDADMP C[C@@H]1CN(CCc2cncn2C)C[C@@H](C2CC2)O1 ZINC000459447717 387945674 /nfs/dbraw/zinc/94/56/74/387945674.db2.gz UXPILCIAJJOOHB-RISCZKNCSA-N 2 1 249.358 1.462 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2=CCCC2)C1 ZINC000645802330 387946224 /nfs/dbraw/zinc/94/62/24/387946224.db2.gz CSBJDWWEPDRLOP-ZDUSSCGKSA-N 2 1 208.349 1.980 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423172954 387959342 /nfs/dbraw/zinc/95/93/42/387959342.db2.gz WCLFXXPBXNESNO-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245599170 387964084 /nfs/dbraw/zinc/96/40/84/387964084.db2.gz IHPXWKKVGKMWRH-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245599170 387964088 /nfs/dbraw/zinc/96/40/88/387964088.db2.gz IHPXWKKVGKMWRH-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245599170 387964093 /nfs/dbraw/zinc/96/40/93/387964093.db2.gz IHPXWKKVGKMWRH-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CCO ZINC000245581643 387964357 /nfs/dbraw/zinc/96/43/57/387964357.db2.gz CPJFBVIWRCCDNV-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CCOC(=O)C1(C)CCC([NH2+]CC[NH3+])CC1 ZINC000423186442 387972226 /nfs/dbraw/zinc/97/22/26/387972226.db2.gz OERIDSADEHGOLN-UHFFFAOYSA-N 2 1 228.336 1.047 20 0 BDADMP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423185393 387969027 /nfs/dbraw/zinc/96/90/27/387969027.db2.gz JFIFRYGEGJYWTD-AGIUHOORSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2cncn2c1 ZINC000423170509 387957360 /nfs/dbraw/zinc/95/73/60/387957360.db2.gz MHUBNZMAIHLXKY-LLVKDONJSA-N 2 1 232.331 1.551 20 0 BDADMP COc1cccc2c1CC[C@@H]([NH2+]CC[NH3+])C2 ZINC000423193868 387979467 /nfs/dbraw/zinc/97/94/67/387979467.db2.gz XGWIEYNUAVEJNM-LLVKDONJSA-N 2 1 220.316 1.101 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1(CO)CC1 ZINC000446068177 387993057 /nfs/dbraw/zinc/99/30/57/387993057.db2.gz FDNLHTFBEDACMY-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1(CO)CC1 ZINC000446068177 387993059 /nfs/dbraw/zinc/99/30/59/387993059.db2.gz FDNLHTFBEDACMY-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1(CO)CC1 ZINC000446068177 387993063 /nfs/dbraw/zinc/99/30/63/387993063.db2.gz FDNLHTFBEDACMY-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)CC[N@@H+]1C ZINC000245929916 387995760 /nfs/dbraw/zinc/99/57/60/387995760.db2.gz IBEFBALSOPUBCD-WISYIIOYSA-N 2 1 226.364 1.218 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)CC[N@H+]1C ZINC000245929916 387995764 /nfs/dbraw/zinc/99/57/64/387995764.db2.gz IBEFBALSOPUBCD-WISYIIOYSA-N 2 1 226.364 1.218 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423201810 387987210 /nfs/dbraw/zinc/98/72/10/387987210.db2.gz PRMSPBSHIPKOAE-BFHYXJOUSA-N 3 1 239.407 1.496 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000156551830 387998784 /nfs/dbraw/zinc/99/87/84/387998784.db2.gz FQEGEXYBEFFCNQ-XQQFMLRXSA-N 2 1 228.380 1.730 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000156551830 387998789 /nfs/dbraw/zinc/99/87/89/387998789.db2.gz FQEGEXYBEFFCNQ-XQQFMLRXSA-N 2 1 228.380 1.730 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOCC2)CC[N@@H+]1C ZINC000246029264 388002508 /nfs/dbraw/zinc/00/25/08/388002508.db2.gz XLUWXPHBPZDUSA-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOCC2)CC[N@H+]1C ZINC000246029264 388002511 /nfs/dbraw/zinc/00/25/11/388002511.db2.gz XLUWXPHBPZDUSA-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH2+]C)C12CCC2 ZINC000423222779 388003813 /nfs/dbraw/zinc/00/38/13/388003813.db2.gz COPXCUBJVMUNNQ-MNOVXSKESA-N 2 1 212.337 1.143 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]CC[NH2+]C)C12CCC2 ZINC000423222780 388004211 /nfs/dbraw/zinc/00/42/11/388004211.db2.gz COPXCUBJVMUNNQ-QWRGUYRKSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423225282 388007663 /nfs/dbraw/zinc/00/76/63/388007663.db2.gz MBHVUGDSAHSBBK-RVMXOQNASA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423225282 388007667 /nfs/dbraw/zinc/00/76/67/388007667.db2.gz MBHVUGDSAHSBBK-RVMXOQNASA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423225282 388007671 /nfs/dbraw/zinc/00/76/71/388007671.db2.gz MBHVUGDSAHSBBK-RVMXOQNASA-N 3 1 225.380 1.186 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000423229114 388014668 /nfs/dbraw/zinc/01/46/68/388014668.db2.gz AIKJPQUFMVVXMF-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000423236391 388021349 /nfs/dbraw/zinc/02/13/49/388021349.db2.gz CFRZMEOVCXUVFG-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423237457 388021594 /nfs/dbraw/zinc/02/15/94/388021594.db2.gz DISLCCWALXOPJP-QJPTWQEYSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@H]1CCCCN1 ZINC000423238446 388023017 /nfs/dbraw/zinc/02/30/17/388023017.db2.gz AKEWJBHMQKWAEU-FRRDWIJNSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1CCCCN1 ZINC000423238450 388023085 /nfs/dbraw/zinc/02/30/85/388023085.db2.gz AKEWJBHMQKWAEU-XQQFMLRXSA-N 2 1 225.380 1.106 20 0 BDADMP C[NH2+]CC[NH2+]C1CCC(CSC)CC1 ZINC000423249841 388032157 /nfs/dbraw/zinc/03/21/57/388032157.db2.gz SNIKNSOVQHCMBV-UHFFFAOYSA-N 2 1 216.394 1.717 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423270007 388036372 /nfs/dbraw/zinc/03/63/72/388036372.db2.gz WGGOFZRSVMWWCH-UHTWSYAYSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256081 388036791 /nfs/dbraw/zinc/03/67/91/388036791.db2.gz DJTGVOPWYRTZPQ-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256081 388036795 /nfs/dbraw/zinc/03/67/95/388036795.db2.gz DJTGVOPWYRTZPQ-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000082666709 388038775 /nfs/dbraw/zinc/03/87/75/388038775.db2.gz YHFWOAKUARATMU-CYBMUJFWSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000082666709 388038781 /nfs/dbraw/zinc/03/87/81/388038781.db2.gz YHFWOAKUARATMU-CYBMUJFWSA-N 2 1 219.332 1.656 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423263048 388040867 /nfs/dbraw/zinc/04/08/67/388040867.db2.gz ALYYWSMUJOZNFT-YVECIDJPSA-N 2 1 227.396 1.288 20 0 BDADMP COC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000423263453 388042299 /nfs/dbraw/zinc/04/22/99/388042299.db2.gz OKESIXIEFPORSE-KBPBESRZSA-N 2 1 240.391 1.909 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423264682 388042570 /nfs/dbraw/zinc/04/25/70/388042570.db2.gz QATKILUAOQTYHO-DDHJBXDOSA-N 2 1 214.353 1.515 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423264265 388042695 /nfs/dbraw/zinc/04/26/95/388042695.db2.gz PRTNANDUMCWNTP-SCRDCRAPSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423243997 388026796 /nfs/dbraw/zinc/02/67/96/388026796.db2.gz WYUDHAORDJHPCD-STQMWFEESA-N 2 1 236.363 1.249 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423246230 388030480 /nfs/dbraw/zinc/03/04/80/388030480.db2.gz NBOIVQVFBRCRKP-JSGCOSHPSA-N 2 1 233.359 1.917 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1(C)C ZINC000423275342 388057559 /nfs/dbraw/zinc/05/75/59/388057559.db2.gz LSIAIVGIBJXARI-FRRDWIJNSA-N 2 1 240.391 1.905 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423280861 388062433 /nfs/dbraw/zinc/06/24/33/388062433.db2.gz SYYLSJIXYCKHAK-CABZTGNLSA-N 2 1 208.305 1.538 20 0 BDADMP CC[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336657381 388068329 /nfs/dbraw/zinc/06/83/29/388068329.db2.gz LVVLFYGGMIKREI-DGCLKSJQSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336657381 388068333 /nfs/dbraw/zinc/06/83/33/388068333.db2.gz LVVLFYGGMIKREI-DGCLKSJQSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336657381 388068337 /nfs/dbraw/zinc/06/83/37/388068337.db2.gz LVVLFYGGMIKREI-DGCLKSJQSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336657381 388068340 /nfs/dbraw/zinc/06/83/40/388068340.db2.gz LVVLFYGGMIKREI-DGCLKSJQSA-N 2 1 228.380 1.419 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C12CCC2 ZINC000423284858 388069160 /nfs/dbraw/zinc/06/91/60/388069160.db2.gz XHCBBAMTJKXYSW-FRRDWIJNSA-N 2 1 238.375 1.661 20 0 BDADMP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000084105467 388072299 /nfs/dbraw/zinc/07/22/99/388072299.db2.gz BITQYMXXLXTMAY-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@H]1OCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453406485 388074456 /nfs/dbraw/zinc/07/44/56/388074456.db2.gz RDCWABWWZCFEDZ-YPMHNXCESA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000084218091 388075609 /nfs/dbraw/zinc/07/56/09/388075609.db2.gz MIPFEITWWJWLJV-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000084385519 388078238 /nfs/dbraw/zinc/07/82/38/388078238.db2.gz HVSZJRVVXBQCTK-AVGNSLFASA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@@H](Cn1cncn1)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423267519 388045736 /nfs/dbraw/zinc/04/57/36/388045736.db2.gz TWHVZEMSLOQNRH-RYUDHWBXSA-N 2 1 239.367 1.020 20 0 BDADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(CO)c1 ZINC000423267283 388046501 /nfs/dbraw/zinc/04/65/01/388046501.db2.gz CTDBHCALNJCBMR-YGRLFVJLSA-N 2 1 234.343 1.567 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H]1CCOC1 ZINC000423268252 388048343 /nfs/dbraw/zinc/04/83/43/388048343.db2.gz UPLMOEAWXDMEGO-YUTCNCBUSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@H](NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423272308 388050690 /nfs/dbraw/zinc/05/06/90/388050690.db2.gz JUOMCJIJPVSXPK-RWMBFGLXSA-N 2 1 225.380 1.106 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCCO1 ZINC000423272520 388050761 /nfs/dbraw/zinc/05/07/61/388050761.db2.gz ZAPXQQUABKEOMZ-IJLUTSLNSA-N 2 1 214.353 1.517 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000449243828 388161954 /nfs/dbraw/zinc/16/19/54/388161954.db2.gz NRGUQWHBGLUECT-CHWSQXEVSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000449243828 388161956 /nfs/dbraw/zinc/16/19/56/388161956.db2.gz NRGUQWHBGLUECT-CHWSQXEVSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cs1 ZINC000449243013 388162121 /nfs/dbraw/zinc/16/21/21/388162121.db2.gz HGTYALZOSHILCP-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cs1 ZINC000449243013 388162123 /nfs/dbraw/zinc/16/21/23/388162123.db2.gz HGTYALZOSHILCP-GFCCVEGCSA-N 2 1 240.372 1.213 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)CCO)[C@@H](C)C1 ZINC000449359904 388181552 /nfs/dbraw/zinc/18/15/52/388181552.db2.gz RUSDXVGJACMTOD-RDBSUJKOSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000162198823 388123439 /nfs/dbraw/zinc/12/34/39/388123439.db2.gz UIPVZSKNKYZONK-MNOVXSKESA-N 2 1 205.305 1.564 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CCCO)[C@H](C)C1 ZINC000449409476 388197392 /nfs/dbraw/zinc/19/73/92/388197392.db2.gz UBTXZCLWNWAYPQ-MJBXVCDLSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@]1(F)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261528753 135154092 /nfs/dbraw/zinc/15/40/92/135154092.db2.gz VZXFHDHCZSYDRT-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@]1(F)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261528753 135154093 /nfs/dbraw/zinc/15/40/93/135154093.db2.gz VZXFHDHCZSYDRT-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP CC[NH+](CC)CCCN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451625068 388285856 /nfs/dbraw/zinc/28/58/56/388285856.db2.gz OSPYMCIZGXFHMF-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1nc(F)ccc1C[NH2+]CCC[NH+](C)C ZINC000278278232 388355182 /nfs/dbraw/zinc/35/51/82/388355182.db2.gz AQWWEZRDPTZZIA-UHFFFAOYSA-N 2 1 225.311 1.570 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000516580283 388355781 /nfs/dbraw/zinc/35/57/81/388355781.db2.gz FNOBWWPJRWKRQF-YPMHNXCESA-N 3 1 225.380 1.188 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000234876076 388361669 /nfs/dbraw/zinc/36/16/69/388361669.db2.gz WRAPVMHIPPPZGR-MNOVXSKESA-N 2 1 222.332 1.563 20 0 BDADMP C[C@@H](CN)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000235146574 388365153 /nfs/dbraw/zinc/36/51/53/388365153.db2.gz TZUOWPXKCBAZPG-IUCAKERBSA-N 2 1 222.288 1.413 20 0 BDADMP C[NH2+]Cc1ccccc1NC(=O)C[N@@H+](C)C(C)C ZINC000237125148 388390150 /nfs/dbraw/zinc/39/01/50/388390150.db2.gz FRCQGVKLPVBJMF-UHFFFAOYSA-N 2 1 249.358 1.685 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300965007 388395708 /nfs/dbraw/zinc/39/57/08/388395708.db2.gz PYNJJRIFSKPJHT-UWVGGRQHSA-N 2 1 218.291 1.702 20 0 BDADMP CC[C@H](C)[N@H+](CCO)CCCc1c[nH+]cn1C ZINC000313907195 388396103 /nfs/dbraw/zinc/39/61/03/388396103.db2.gz SOSHMEYQGZWPMM-LBPRGKRZSA-N 2 1 239.363 1.446 20 0 BDADMP CC[C@H](C)[N@@H+](CCO)CCCc1c[nH+]cn1C ZINC000313907195 388396107 /nfs/dbraw/zinc/39/61/07/388396107.db2.gz SOSHMEYQGZWPMM-LBPRGKRZSA-N 2 1 239.363 1.446 20 0 BDADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cnn(C)c1 ZINC000314632021 388399527 /nfs/dbraw/zinc/39/95/27/388399527.db2.gz FGYSFEKXXVRPKI-NSHDSACASA-N 2 1 247.346 1.437 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631668440 388402502 /nfs/dbraw/zinc/40/25/02/388402502.db2.gz XTBNSAFVMPVUNF-YNEHKIRRSA-N 2 1 228.380 1.610 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631668440 388402504 /nfs/dbraw/zinc/40/25/04/388402504.db2.gz XTBNSAFVMPVUNF-YNEHKIRRSA-N 2 1 228.380 1.610 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCOC1 ZINC000308616596 388445337 /nfs/dbraw/zinc/44/53/37/388445337.db2.gz YHXNRYDQOOZALV-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)[NH3+])c1ccccc1 ZINC000194937723 388458179 /nfs/dbraw/zinc/45/81/79/388458179.db2.gz PTGKDDNSPMURSY-YPMHNXCESA-N 2 1 249.358 1.143 20 0 BDADMP CN(C[C@H](O)C[N@@H+](C)CC1CCCC1)C1CC1 ZINC000336723562 388468550 /nfs/dbraw/zinc/46/85/50/388468550.db2.gz UDHADHVTLWILAK-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)CC1CCCC1)C1CC1 ZINC000336723562 388468551 /nfs/dbraw/zinc/46/85/51/388468551.db2.gz UDHADHVTLWILAK-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)CC1CCCC1)C1CC1 ZINC000336723562 388468554 /nfs/dbraw/zinc/46/85/54/388468554.db2.gz UDHADHVTLWILAK-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1CCCC1 ZINC000336723562 388468555 /nfs/dbraw/zinc/46/85/55/388468555.db2.gz UDHADHVTLWILAK-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1CCCC1 ZINC000336723562 388468557 /nfs/dbraw/zinc/46/85/57/388468557.db2.gz UDHADHVTLWILAK-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC[NH3+] ZINC000307596967 388424083 /nfs/dbraw/zinc/42/40/83/388424083.db2.gz MYWILWJLRKCTRR-JSGCOSHPSA-N 2 1 233.359 1.055 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000573213040 388433191 /nfs/dbraw/zinc/43/31/91/388433191.db2.gz TVNYUCQZQVWYAC-UONOGXRCSA-N 2 1 242.407 1.715 20 0 BDADMP COC(C)(C)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000517243971 388544445 /nfs/dbraw/zinc/54/44/45/388544445.db2.gz VRHODSAXWPJBQW-UHFFFAOYSA-N 2 1 239.363 1.710 20 0 BDADMP COC(C)(C)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000517243971 388544446 /nfs/dbraw/zinc/54/44/46/388544446.db2.gz VRHODSAXWPJBQW-UHFFFAOYSA-N 2 1 239.363 1.710 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000378752802 388496296 /nfs/dbraw/zinc/49/62/96/388496296.db2.gz WAEWQDKPUOFBHZ-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000378752802 388496298 /nfs/dbraw/zinc/49/62/98/388496298.db2.gz WAEWQDKPUOFBHZ-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378752802 388496301 /nfs/dbraw/zinc/49/63/01/388496301.db2.gz WAEWQDKPUOFBHZ-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378752802 388496303 /nfs/dbraw/zinc/49/63/03/388496303.db2.gz WAEWQDKPUOFBHZ-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccncc1 ZINC000344298621 388505919 /nfs/dbraw/zinc/50/59/19/388505919.db2.gz CRGNZAJZXPLPGU-GFCCVEGCSA-N 2 1 231.343 1.994 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1 ZINC000346692071 388520487 /nfs/dbraw/zinc/52/04/87/388520487.db2.gz XOWKRBIQZZHNJA-RYUDHWBXSA-N 2 1 249.358 1.581 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000516921190 388524963 /nfs/dbraw/zinc/52/49/63/388524963.db2.gz JHULSIHMJJOJQI-LSDHHAIUSA-N 2 1 245.370 1.720 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000379217967 388599943 /nfs/dbraw/zinc/59/99/43/388599943.db2.gz OZFREJGGQSBXTC-ZFWWWQNUSA-N 2 1 248.370 1.915 20 0 BDADMP C[NH+](C)CC(=O)Nc1ccccc1C[NH+](C)C ZINC000550550056 388610694 /nfs/dbraw/zinc/61/06/94/388610694.db2.gz BPLVBONIDZQSCS-UHFFFAOYSA-N 2 1 235.331 1.248 20 0 BDADMP C[C@H]1C[C@H](N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000261584835 135225925 /nfs/dbraw/zinc/22/59/25/135225925.db2.gz QBGLPVOWVIQHCW-WDEREUQCSA-N 2 1 213.369 1.138 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000521226015 388565949 /nfs/dbraw/zinc/56/59/49/388565949.db2.gz ZKVDCKARTFLXRA-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367626633 388566596 /nfs/dbraw/zinc/56/65/96/388566596.db2.gz PPIRKHCEDNOUDZ-CMPLNLGQSA-N 2 1 236.363 1.717 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000528757992 388567131 /nfs/dbraw/zinc/56/71/31/388567131.db2.gz DNAZBQWXDKXHNG-ODXJTPSBSA-N 2 1 240.391 1.872 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000385061546 388573915 /nfs/dbraw/zinc/57/39/15/388573915.db2.gz UMRSQPAGKXKTSU-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCOC)C1 ZINC000081516128 388579401 /nfs/dbraw/zinc/57/94/01/388579401.db2.gz CZAHYMQJPNJCLS-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000125911801 388681844 /nfs/dbraw/zinc/68/18/44/388681844.db2.gz HDXRABULSMBGII-UHFFFAOYSA-N 2 1 238.379 1.406 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000328344912 388625271 /nfs/dbraw/zinc/62/52/71/388625271.db2.gz LWIRWLIWONEWIF-RFQIPJPRSA-N 2 1 238.375 1.079 20 0 BDADMP C(C[N@H+]1CCO[C@H]2CCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000251086984 388641619 /nfs/dbraw/zinc/64/16/19/388641619.db2.gz HVSZJRVVXBQCTK-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000252461814 388652490 /nfs/dbraw/zinc/65/24/90/388652490.db2.gz WWIWXLMLSHFWQS-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000252461814 388652493 /nfs/dbraw/zinc/65/24/93/388652493.db2.gz WWIWXLMLSHFWQS-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)COC)C1 ZINC000247017775 388658096 /nfs/dbraw/zinc/65/80/96/388658096.db2.gz LPHFMGBGUXOLAQ-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000190953279 388659065 /nfs/dbraw/zinc/65/90/65/388659065.db2.gz KMXIZYQBHGSHJX-OLZOCXBDSA-N 2 1 249.358 1.805 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000249987649 388735543 /nfs/dbraw/zinc/73/55/43/388735543.db2.gz NCRFDDAQEFVWAA-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250660255 388738544 /nfs/dbraw/zinc/73/85/44/388738544.db2.gz POWJVUFHJJXYND-UTUOFQBUSA-N 2 1 223.364 1.083 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250660255 388738548 /nfs/dbraw/zinc/73/85/48/388738548.db2.gz POWJVUFHJJXYND-UTUOFQBUSA-N 2 1 223.364 1.083 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128184281 388740106 /nfs/dbraw/zinc/74/01/06/388740106.db2.gz MXMFYHINECXIKU-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000251529482 388748553 /nfs/dbraw/zinc/74/85/53/388748553.db2.gz XLMCKLCVFNAMPS-NWDGAFQWSA-N 2 1 212.337 1.084 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@@H](C)C1 ZINC000249777571 388733450 /nfs/dbraw/zinc/73/34/50/388733450.db2.gz CJLGCCPOVOYNCQ-STQMWFEESA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000252122241 388760712 /nfs/dbraw/zinc/76/07/12/388760712.db2.gz JNVGUBHXAMGNHE-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000252687879 388770424 /nfs/dbraw/zinc/77/04/24/388770424.db2.gz MNSMIPQVNFKLDU-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252708994 388772367 /nfs/dbraw/zinc/77/23/67/388772367.db2.gz BRSSLEOLPLRENC-GHMZBOCLSA-N 2 1 216.394 1.669 20 0 BDADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252710640 388772929 /nfs/dbraw/zinc/77/29/29/388772929.db2.gz HGOGWEQAJWXORT-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H](C)[C@H]1CCOC1)C(C)C ZINC000252711841 388773892 /nfs/dbraw/zinc/77/38/92/388773892.db2.gz KSVPNGQZCADZPG-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H](C)[C@H]1CCOC1)C(C)C ZINC000252711841 388773896 /nfs/dbraw/zinc/77/38/96/388773896.db2.gz KSVPNGQZCADZPG-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CN(CC[NH2+]C(C)(C)C)Cc1cnc[nH]1 ZINC000163051710 388828974 /nfs/dbraw/zinc/82/89/74/388828974.db2.gz DWOZSQRPPCSAHS-UHFFFAOYSA-N 2 1 210.325 1.230 20 0 BDADMP C[C@@H]1C[C@@H](NCCC[NH+](C)C)CC[N@H+]1C ZINC000129553732 388851503 /nfs/dbraw/zinc/85/15/03/388851503.db2.gz XSCJRQGGNYXKLC-NEPJUHHUSA-N 2 1 213.369 1.010 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC2=CCCOC2)CC[N@@H+]1C ZINC000093644823 388847355 /nfs/dbraw/zinc/84/73/55/388847355.db2.gz KSXCFMMLLZHDAF-TZMCWYRMSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC2=CCCOC2)CC[N@H+]1C ZINC000093644823 388847358 /nfs/dbraw/zinc/84/73/58/388847358.db2.gz KSXCFMMLLZHDAF-TZMCWYRMSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC2=CCCOC2)CC[NH+]1C ZINC000093644823 388847360 /nfs/dbraw/zinc/84/73/60/388847360.db2.gz KSXCFMMLLZHDAF-TZMCWYRMSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC2=CCCOC2)CC[NH+]1C ZINC000093644823 388847364 /nfs/dbraw/zinc/84/73/64/388847364.db2.gz KSXCFMMLLZHDAF-TZMCWYRMSA-N 2 1 238.375 1.748 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000565483655 388948259 /nfs/dbraw/zinc/94/82/59/388948259.db2.gz NCSKSVCPWADLJY-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCC2)C1 ZINC000566112326 388987902 /nfs/dbraw/zinc/98/79/02/388987902.db2.gz MTZLWPDQXVOVFK-ZDUSSCGKSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H](C[NH2+][C@H](C)c1ccncc1)C[NH+](C)C ZINC000293637326 389016453 /nfs/dbraw/zinc/01/64/53/389016453.db2.gz KPNCXOSCIANZHQ-VXGBXAGGSA-N 2 1 221.348 1.930 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCCO1 ZINC000261562799 533363982 /nfs/dbraw/zinc/36/39/82/533363982.db2.gz BOWNCNBGGOLREF-AVGNSLFASA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H]1CCCO1 ZINC000261562799 533363991 /nfs/dbraw/zinc/36/39/91/533363991.db2.gz BOWNCNBGGOLREF-AVGNSLFASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400724549 533370821 /nfs/dbraw/zinc/37/08/21/533370821.db2.gz PCWOHMGUYAPRSN-MNOVXSKESA-N 2 1 241.379 1.021 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000300056924 533416390 /nfs/dbraw/zinc/41/63/90/533416390.db2.gz WMSUZVHOTOKHIO-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1cc(N2CCC[C@H](CC[NH3+])C2)nc(C)[nH+]1 ZINC000070073959 132229935 /nfs/dbraw/zinc/22/99/35/132229935.db2.gz UXAQOLHCFQQANS-GFCCVEGCSA-N 2 1 234.347 1.659 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000333902418 132245683 /nfs/dbraw/zinc/24/56/83/132245683.db2.gz IZOCQHGAPZUZMN-MWLCHTKSSA-N 2 1 243.314 1.146 20 0 BDADMP CCc1nc(N2CCC([NH3+])CC2)cc(C)[nH+]1 ZINC000045951007 132299426 /nfs/dbraw/zinc/29/94/26/132299426.db2.gz UHHFYZZRGRADIY-UHFFFAOYSA-N 2 1 220.320 1.275 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336022274 134056106 /nfs/dbraw/zinc/05/61/06/134056106.db2.gz JYIJRXUYCVDQQZ-RYUDHWBXSA-N 2 1 249.358 1.587 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336022274 134056107 /nfs/dbraw/zinc/05/61/07/134056107.db2.gz JYIJRXUYCVDQQZ-RYUDHWBXSA-N 2 1 249.358 1.587 20 0 BDADMP C[C@H]1NCC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1C ZINC000336079460 134074086 /nfs/dbraw/zinc/07/40/86/134074086.db2.gz KNKFFXWEJKGFQW-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1[NH2+]CCN(CCC2CC[NH2+]CC2)[C@@H]1C ZINC000336079460 134074087 /nfs/dbraw/zinc/07/40/87/134074087.db2.gz KNKFFXWEJKGFQW-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H](F)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336125079 134092611 /nfs/dbraw/zinc/09/26/11/134092611.db2.gz ZPOLEWSTYKDLMH-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@H]1CC[N@@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000167762476 134153865 /nfs/dbraw/zinc/15/38/65/134153865.db2.gz HCKZWULLMOEZIX-KBPBESRZSA-N 2 1 248.370 1.982 20 0 BDADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000300416712 134228543 /nfs/dbraw/zinc/22/85/43/134228543.db2.gz VLVZQTSHFOAMGE-KGLIPLIRSA-N 2 1 248.374 1.179 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCO1 ZINC000168934980 134248751 /nfs/dbraw/zinc/24/87/51/134248751.db2.gz WJQADPZNLFFCHD-REWJHTLYSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCO1 ZINC000168934980 134248752 /nfs/dbraw/zinc/24/87/52/134248752.db2.gz WJQADPZNLFFCHD-REWJHTLYSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282115 134274491 /nfs/dbraw/zinc/27/44/91/134274491.db2.gz USOUBFKDIALJKA-XDQVBPFNSA-N 2 1 222.376 1.964 20 0 BDADMP Cc1cccc(N2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000085283753 134275198 /nfs/dbraw/zinc/27/51/98/134275198.db2.gz IKKWUIBAKHWGKE-PHIMTYICSA-N 2 1 203.289 1.046 20 0 BDADMP CCn1ccnc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177760785 134299817 /nfs/dbraw/zinc/29/98/17/134299817.db2.gz QJNAIWZBJPNPTR-CYBMUJFWSA-N 2 1 248.374 1.573 20 0 BDADMP C[C@H]1CC([NH2+]C[C@@H](O)C[NH+](C)C)C[C@H](C)C1 ZINC000220517199 134309630 /nfs/dbraw/zinc/30/96/30/134309630.db2.gz ZMHOVDABDZXLLB-NQBHXWOUSA-N 2 1 228.380 1.323 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178973574 134314305 /nfs/dbraw/zinc/31/43/05/134314305.db2.gz OOIONAVOTFADRX-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCOCC1 ZINC000221048061 134318433 /nfs/dbraw/zinc/31/84/33/134318433.db2.gz IOXYXEXQDQXYBQ-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCOCC1 ZINC000221048061 134318434 /nfs/dbraw/zinc/31/84/34/134318434.db2.gz IOXYXEXQDQXYBQ-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000179243093 134318541 /nfs/dbraw/zinc/31/85/41/134318541.db2.gz WSHGXOGVRNIDLX-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC000179243093 134318542 /nfs/dbraw/zinc/31/85/42/134318542.db2.gz WSHGXOGVRNIDLX-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC000179243093 134318543 /nfs/dbraw/zinc/31/85/43/134318543.db2.gz WSHGXOGVRNIDLX-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222022942 134329116 /nfs/dbraw/zinc/32/91/16/134329116.db2.gz DLZNKUWRCQXJRF-LOWDOPEQSA-N 2 1 226.364 1.626 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223140176 134337166 /nfs/dbraw/zinc/33/71/66/134337166.db2.gz WVUABACHWGUDGS-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223140176 134337167 /nfs/dbraw/zinc/33/71/67/134337167.db2.gz WVUABACHWGUDGS-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H]([NH3+])CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000224899912 134348903 /nfs/dbraw/zinc/34/89/03/134348903.db2.gz KRBIYCWSKXRIRN-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H](C[NH2+]Cc1ccnn1C)C[NH+]1CCCC1 ZINC000062078506 134394453 /nfs/dbraw/zinc/39/44/53/134394453.db2.gz JTKZCVMKRXLSMO-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CCn1nccc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000227974577 134395563 /nfs/dbraw/zinc/39/55/63/134395563.db2.gz DMTFGLBTWHWSFW-NWDGAFQWSA-N 2 1 236.363 1.475 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)C1(C)C ZINC000234833546 134584863 /nfs/dbraw/zinc/58/48/63/134584863.db2.gz IOGDPYYBAHTWPP-VXGBXAGGSA-N 2 1 237.347 1.595 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)CCC[NH2+]C ZINC000086188485 134593320 /nfs/dbraw/zinc/59/33/20/134593320.db2.gz SSGMTLAPFKISEP-GFCCVEGCSA-N 2 1 213.369 1.012 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248439411 135008856 /nfs/dbraw/zinc/00/88/56/135008856.db2.gz UCXHGHSCVIZLOD-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC[N@@H+]1C ZINC000250050517 135048930 /nfs/dbraw/zinc/04/89/30/135048930.db2.gz LWMZCXCTOLOJDV-KSTCHIGDSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC[N@H+]1C ZINC000250050517 135048931 /nfs/dbraw/zinc/04/89/31/135048931.db2.gz LWMZCXCTOLOJDV-KSTCHIGDSA-N 2 1 238.375 1.626 20 0 BDADMP COCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250442163 135055085 /nfs/dbraw/zinc/05/50/85/135055085.db2.gz BCBUIKCBMWKLRF-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250628247 135057123 /nfs/dbraw/zinc/05/71/23/135057123.db2.gz ZMGNWTREFRXLQG-KBPBESRZSA-N 2 1 248.374 1.179 20 0 BDADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251214570 135065835 /nfs/dbraw/zinc/06/58/35/135065835.db2.gz LQGUNSNPUSZUJB-ZOBORPQBSA-N 2 1 238.375 1.506 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCOC1 ZINC000251285222 135068082 /nfs/dbraw/zinc/06/80/82/135068082.db2.gz FELMBQAYNXJPKN-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCSC3)CC[N@H+]2C1 ZINC000251420254 135069648 /nfs/dbraw/zinc/06/96/48/135069648.db2.gz SDIQOBDQBHHNPB-SDDRHHMPSA-N 2 1 226.389 1.708 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)O1 ZINC000251919957 135081016 /nfs/dbraw/zinc/08/10/16/135081016.db2.gz UOSWVQVZQOZHBW-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)[N@@H+](CCOCC[NH3+])Cc1cccs1 ZINC000086435513 135084141 /nfs/dbraw/zinc/08/41/41/135084141.db2.gz VPXXNSDGKPWCMZ-UHFFFAOYSA-N 2 1 242.388 1.934 20 0 BDADMP C[N@H+](CCOCC[NH3+])Cc1ccccc1Cl ZINC000086435466 135084658 /nfs/dbraw/zinc/08/46/58/135084658.db2.gz HRGDSCAWXLABPM-UHFFFAOYSA-N 2 1 242.750 1.747 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1Cl ZINC000086435466 135084661 /nfs/dbraw/zinc/08/46/61/135084661.db2.gz HRGDSCAWXLABPM-UHFFFAOYSA-N 2 1 242.750 1.747 20 0 BDADMP Cc1c(C[N@H+](C)CC(C)(C)C[NH3+])cnn1C ZINC000086637561 135091527 /nfs/dbraw/zinc/09/15/27/135091527.db2.gz CGSZGZQVSOHMKA-UHFFFAOYSA-N 2 1 224.352 1.145 20 0 BDADMP Cc1c(C[N@@H+](C)CC(C)(C)C[NH3+])cnn1C ZINC000086637561 135091528 /nfs/dbraw/zinc/09/15/28/135091528.db2.gz CGSZGZQVSOHMKA-UHFFFAOYSA-N 2 1 224.352 1.145 20 0 BDADMP CCOCCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638098 135091534 /nfs/dbraw/zinc/09/15/34/135091534.db2.gz AIQDVKXOKBSHHH-UHFFFAOYSA-N 2 1 202.342 1.330 20 0 BDADMP CC(C)(C)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539370 135092313 /nfs/dbraw/zinc/09/23/13/135092313.db2.gz BMAJCVXQBPTIEB-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539370 135092314 /nfs/dbraw/zinc/09/23/14/135092314.db2.gz BMAJCVXQBPTIEB-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252552979 135092367 /nfs/dbraw/zinc/09/23/67/135092367.db2.gz QSEDXXALCTVNDE-FQUUOJAGSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252552979 135092368 /nfs/dbraw/zinc/09/23/68/135092368.db2.gz QSEDXXALCTVNDE-FQUUOJAGSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086725376 135095253 /nfs/dbraw/zinc/09/52/53/135095253.db2.gz SPHZGKPGBSCXBW-JSGCOSHPSA-N 2 1 218.344 1.959 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000086702815 135095673 /nfs/dbraw/zinc/09/56/73/135095673.db2.gz QSHMIBQSVNTFDV-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000252666738 135095851 /nfs/dbraw/zinc/09/58/51/135095851.db2.gz BNJYYLOIIHVDEY-STQMWFEESA-N 2 1 234.347 1.137 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000252666738 135095853 /nfs/dbraw/zinc/09/58/53/135095853.db2.gz BNJYYLOIIHVDEY-STQMWFEESA-N 2 1 234.347 1.137 20 0 BDADMP CCSCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000252686181 135097248 /nfs/dbraw/zinc/09/72/48/135097248.db2.gz JGFHZTVZSZUCKB-WDEREUQCSA-N 2 1 216.394 1.799 20 0 BDADMP CCSCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000252686181 135097249 /nfs/dbraw/zinc/09/72/49/135097249.db2.gz JGFHZTVZSZUCKB-WDEREUQCSA-N 2 1 216.394 1.799 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252703274 135097904 /nfs/dbraw/zinc/09/79/04/135097904.db2.gz PNDZPQWNBJDJML-MROQNXINSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000086874840 135099573 /nfs/dbraw/zinc/09/95/73/135099573.db2.gz UKHCWLQWQZGAKH-QWRGUYRKSA-N 2 1 214.353 1.077 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000252716810 135102128 /nfs/dbraw/zinc/10/21/28/135102128.db2.gz ZECGGVQOYGZCFW-IJLUTSLNSA-N 2 1 214.353 1.341 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)OC)C1 ZINC000252716809 135102949 /nfs/dbraw/zinc/10/29/49/135102949.db2.gz ZECGGVQOYGZCFW-GRYCIOLGSA-N 2 1 214.353 1.341 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC000252848346 135112791 /nfs/dbraw/zinc/11/27/91/135112791.db2.gz GNMZVQZSKOPIIK-AAVRWANBSA-N 2 1 238.375 1.472 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252959048 135117732 /nfs/dbraw/zinc/11/77/32/135117732.db2.gz LRUYEFBXEIFNMJ-XQHREUISSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000253178618 135123203 /nfs/dbraw/zinc/12/32/03/135123203.db2.gz CAXDQOZPOIJOLC-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1cc(F)ccc1F ZINC000258705679 135133500 /nfs/dbraw/zinc/13/35/00/135133500.db2.gz HIDXPQONHOYBDM-QMMMGPOBSA-N 2 1 214.259 1.649 20 0 BDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000258945225 135136191 /nfs/dbraw/zinc/13/61/91/135136191.db2.gz IEVYYTKYJDFZBR-KBPBESRZSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257700850 135140239 /nfs/dbraw/zinc/14/02/39/135140239.db2.gz QAXSPGLRBSOULO-GFCCVEGCSA-N 2 1 237.372 1.637 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257700850 135140240 /nfs/dbraw/zinc/14/02/40/135140240.db2.gz QAXSPGLRBSOULO-GFCCVEGCSA-N 2 1 237.372 1.637 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000087472623 135143421 /nfs/dbraw/zinc/14/34/21/135143421.db2.gz ZCINQJHQCAUOLJ-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(O)c1 ZINC000261531674 135160562 /nfs/dbraw/zinc/16/05/62/135160562.db2.gz HLQAGKZNDZTORA-VIFPVBQESA-N 2 1 208.305 1.780 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCOCC[NH3+] ZINC000261532133 135162318 /nfs/dbraw/zinc/16/23/18/135162318.db2.gz JGWGEBSUFODTCK-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261532166 135162937 /nfs/dbraw/zinc/16/29/37/135162937.db2.gz JLSYJFHIBGTAGB-STQMWFEESA-N 2 1 208.349 1.718 20 0 BDADMP c1csc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261534769 135167640 /nfs/dbraw/zinc/16/76/40/135167640.db2.gz MZAIWTSSVGRSRP-ZYHUDNBSSA-N 2 1 222.357 1.932 20 0 BDADMP c1csc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261534769 135167641 /nfs/dbraw/zinc/16/76/41/135167641.db2.gz MZAIWTSSVGRSRP-ZYHUDNBSSA-N 2 1 222.357 1.932 20 0 BDADMP COC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261534599 135168069 /nfs/dbraw/zinc/16/80/69/135168069.db2.gz MSHCAORFXDMQOK-SRVKXCTJSA-N 2 1 214.353 1.341 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]12 ZINC000261534866 135168489 /nfs/dbraw/zinc/16/84/89/135168489.db2.gz NGOWVAFESPMHPF-DJLDLDEBSA-N 2 1 222.254 1.608 20 0 BDADMP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000261535867 135170407 /nfs/dbraw/zinc/17/04/07/135170407.db2.gz PMLPSDMUCDYHGL-ZJUUUORDSA-N 2 1 208.305 1.521 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000261536287 135171208 /nfs/dbraw/zinc/17/12/08/135171208.db2.gz RCANQEVLQJWZAY-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCC(F)(F)F)C1CC1 ZINC000261536274 135171378 /nfs/dbraw/zinc/17/13/78/135171378.db2.gz RASWTNPCPSHYGL-QMMMGPOBSA-N 2 1 210.243 1.656 20 0 BDADMP C[C@H]([NH3+])C1CC[NH+](Cc2cocn2)CC1 ZINC000261540509 135179603 /nfs/dbraw/zinc/17/96/03/135179603.db2.gz DZPAAVKZHINXAD-VIFPVBQESA-N 2 1 209.293 1.234 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261541572 135181656 /nfs/dbraw/zinc/18/16/56/135181656.db2.gz BJDRTFSIDIVULB-CYBMUJFWSA-N 2 1 236.363 1.464 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261541572 135181657 /nfs/dbraw/zinc/18/16/57/135181657.db2.gz BJDRTFSIDIVULB-CYBMUJFWSA-N 2 1 236.363 1.464 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261542155 135182790 /nfs/dbraw/zinc/18/27/90/135182790.db2.gz BWNDORPPFRHSFD-CABCVRRESA-N 2 1 230.355 1.770 20 0 BDADMP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000261542498 135183309 /nfs/dbraw/zinc/18/33/09/135183309.db2.gz OVOSWJOJOOLFKC-OCCSQVGLSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261544373 135185253 /nfs/dbraw/zinc/18/52/53/135185253.db2.gz DVLCVNPOGCKNSJ-DRZSPHRISA-N 2 1 235.331 1.461 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000261544742 135186167 /nfs/dbraw/zinc/18/61/67/135186167.db2.gz ZNGNEZAWEMGFMP-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000084149027 135187607 /nfs/dbraw/zinc/18/76/07/135187607.db2.gz PKNKFKWVGXSJSK-JTQLQIEISA-N 2 1 225.361 1.541 20 0 BDADMP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000084220484 135193124 /nfs/dbraw/zinc/19/31/24/135193124.db2.gz ZVHVWTICZJDEIM-MWLCHTKSSA-N 2 1 225.361 1.669 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261557792 135198638 /nfs/dbraw/zinc/19/86/38/135198638.db2.gz SBRUGBYNWDLMOC-KBPBESRZSA-N 2 1 231.343 1.165 20 0 BDADMP CCc1nc(N[C@@H]2CCC[NH2+][C@@H]2C)cc(C)[nH+]1 ZINC000261560813 135202167 /nfs/dbraw/zinc/20/21/67/135202167.db2.gz UXKGLVLCXLOCLU-GHMZBOCLSA-N 2 1 234.347 1.900 20 0 BDADMP c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261562727 135204139 /nfs/dbraw/zinc/20/41/39/135204139.db2.gz GOUNZVCATUVSPF-ZFWWWQNUSA-N 2 1 246.354 1.749 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261562727 135204141 /nfs/dbraw/zinc/20/41/41/135204141.db2.gz GOUNZVCATUVSPF-ZFWWWQNUSA-N 2 1 246.354 1.749 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564412 135205863 /nfs/dbraw/zinc/20/58/63/135205863.db2.gz CMVCVCWRLGHVSC-YPMHNXCESA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564409 135206240 /nfs/dbraw/zinc/20/62/40/135206240.db2.gz CMVCVCWRLGHVSC-AAEUAGOBSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261565626 135207938 /nfs/dbraw/zinc/20/79/38/135207938.db2.gz DBXHXLKFEAPBPD-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261565626 135207940 /nfs/dbraw/zinc/20/79/40/135207940.db2.gz DBXHXLKFEAPBPD-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000261568392 135210121 /nfs/dbraw/zinc/21/01/21/135210121.db2.gz FNDRXXVXESOJGU-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000164153526 135214618 /nfs/dbraw/zinc/21/46/18/135214618.db2.gz WJFIIPBTTLAHOK-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2CN(c3cc[nH+]cc3Cl)C[C@H]12 ZINC000261576621 135217524 /nfs/dbraw/zinc/21/75/24/135217524.db2.gz KLKFQWBHNHAJNN-ATZCPNFKSA-N 2 1 237.734 1.909 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261577017 135218756 /nfs/dbraw/zinc/21/87/56/135218756.db2.gz KTLDHNDAWQYRBC-RYUDHWBXSA-N 2 1 217.316 1.578 20 0 BDADMP CCc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc(C)[nH+]1 ZINC000261584394 135224925 /nfs/dbraw/zinc/22/49/25/135224925.db2.gz SEDOCRAGYKZLFP-UHTWSYAYSA-N 2 1 246.358 1.521 20 0 BDADMP Cn1cc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cn1 ZINC000261584907 135226043 /nfs/dbraw/zinc/22/60/43/135226043.db2.gz SQDZECGIXWECNK-GXTWGEPZSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1cc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cn1 ZINC000261584908 135226453 /nfs/dbraw/zinc/22/64/53/135226453.db2.gz SQDZECGIXWECNK-JSGCOSHPSA-N 2 1 248.374 1.557 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000261587635 135228620 /nfs/dbraw/zinc/22/86/20/135228620.db2.gz RWFKWWMZBMEMBF-WCQGTBRESA-N 2 1 221.304 1.152 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000261587635 135228621 /nfs/dbraw/zinc/22/86/21/135228621.db2.gz RWFKWWMZBMEMBF-WCQGTBRESA-N 2 1 221.304 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000261587633 135228704 /nfs/dbraw/zinc/22/87/04/135228704.db2.gz RWFKWWMZBMEMBF-DLOVCJGASA-N 2 1 221.304 1.152 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000261587633 135228706 /nfs/dbraw/zinc/22/87/06/135228706.db2.gz RWFKWWMZBMEMBF-DLOVCJGASA-N 2 1 221.304 1.152 20 0 BDADMP Cc1ncsc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261589969 135230944 /nfs/dbraw/zinc/23/09/44/135230944.db2.gz UGCBDMBVNAIXCF-NSHDSACASA-N 2 1 239.388 1.929 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC2(CCC2)C1 ZINC000261546701 135239371 /nfs/dbraw/zinc/23/93/71/135239371.db2.gz LGKHJCUCSHFLGC-UHFFFAOYSA-N 2 1 208.349 1.862 20 0 BDADMP Fc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261546928 135239504 /nfs/dbraw/zinc/23/95/04/135239504.db2.gz HMFQJVDPCPMFNL-DGCLKSJQSA-N 2 1 234.318 1.867 20 0 BDADMP Fc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261546928 135239505 /nfs/dbraw/zinc/23/95/05/135239505.db2.gz HMFQJVDPCPMFNL-DGCLKSJQSA-N 2 1 234.318 1.867 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000261547193 135239869 /nfs/dbraw/zinc/23/98/69/135239869.db2.gz LZYIVMFMSZCCCV-UPJWGTAASA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261628490 135241730 /nfs/dbraw/zinc/24/17/30/135241730.db2.gz DJSYHWMPLNAKKS-BXUZGUMPSA-N 2 1 233.359 1.971 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC000261628490 135241732 /nfs/dbraw/zinc/24/17/32/135241732.db2.gz DJSYHWMPLNAKKS-BXUZGUMPSA-N 2 1 233.359 1.971 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261635936 135241987 /nfs/dbraw/zinc/24/19/87/135241987.db2.gz FHHVENLPVHAKPQ-CFVMTHIKSA-N 2 1 248.370 1.696 20 0 BDADMP COc1ccsc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261617092 135244431 /nfs/dbraw/zinc/24/44/31/135244431.db2.gz BVODFVLARQCMCA-LBPRGKRZSA-N 2 1 240.372 1.927 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261617092 135244432 /nfs/dbraw/zinc/24/44/32/135244432.db2.gz BVODFVLARQCMCA-LBPRGKRZSA-N 2 1 240.372 1.927 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]12 ZINC000261751478 135249697 /nfs/dbraw/zinc/24/96/97/135249697.db2.gz CFEMUPDTNBXWJN-FDYHWXHSSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2cccc(N)c2)[C@@H]1C[NH3+] ZINC000261768213 135251849 /nfs/dbraw/zinc/25/18/49/135251849.db2.gz YQHZEPGADZEHMY-SMDDNHRTSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@@H]1C[NH3+] ZINC000261768213 135251850 /nfs/dbraw/zinc/25/18/50/135251850.db2.gz YQHZEPGADZEHMY-SMDDNHRTSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2cccc(N)c2)[C@@H]1C[NH3+] ZINC000261766510 135251923 /nfs/dbraw/zinc/25/19/23/135251923.db2.gz YQHZEPGADZEHMY-BXUZGUMPSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@@H]1C[NH3+] ZINC000261766510 135251924 /nfs/dbraw/zinc/25/19/24/135251924.db2.gz YQHZEPGADZEHMY-BXUZGUMPSA-N 2 1 233.359 1.828 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000261785393 135252457 /nfs/dbraw/zinc/25/24/57/135252457.db2.gz PSHUDJCBYOYXDS-BFHYXJOUSA-N 3 1 237.391 1.045 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCOC1 ZINC000342286540 135256709 /nfs/dbraw/zinc/25/67/09/135256709.db2.gz HPIQFRJPHIKTTG-LBPRGKRZSA-N 2 1 235.331 1.416 20 0 BDADMP C[C@H](CNC1=[NH+]CCCN1)[N@H+]1CCCC[C@@H]1C ZINC000261872598 135258683 /nfs/dbraw/zinc/25/86/83/135258683.db2.gz PDCCTNXEGVWDJD-NWDGAFQWSA-N 2 1 238.379 1.188 20 0 BDADMP C[C@]1(C[N@H+]2CCOCC3(CCC3)C2)CC[NH2+]C1 ZINC000261889470 135260001 /nfs/dbraw/zinc/26/00/01/135260001.db2.gz SPRCYDNVPOAROU-ZDUSSCGKSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000261978664 135268668 /nfs/dbraw/zinc/26/86/68/135268668.db2.gz HCWCMOAQXMKXGR-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262006824 135272414 /nfs/dbraw/zinc/27/24/14/135272414.db2.gz LWVNYZFQGFZIEJ-KGLIPLIRSA-N 2 1 239.407 1.260 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000262030869 135273826 /nfs/dbraw/zinc/27/38/26/135273826.db2.gz XDJQIAAEAVIQBN-UONOGXRCSA-N 2 1 238.375 1.344 20 0 BDADMP CC1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000262035122 135275031 /nfs/dbraw/zinc/27/50/31/135275031.db2.gz XXTIZIBXUBKOJV-PNKMZZHYSA-N 2 1 238.375 1.532 20 0 BDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1coc2ccccc12 ZINC000262130924 135280278 /nfs/dbraw/zinc/28/02/78/135280278.db2.gz NXNUOOUGURFFEH-GXFFZTMASA-N 2 1 246.310 1.103 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262131354 135280853 /nfs/dbraw/zinc/28/08/53/135280853.db2.gz OBNRSZCGWRDNAI-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000262131354 135280855 /nfs/dbraw/zinc/28/08/55/135280855.db2.gz OBNRSZCGWRDNAI-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP CCC[N@@H+](CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000262196178 135285289 /nfs/dbraw/zinc/28/52/89/135285289.db2.gz KAMOTVVRZDSFLD-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[N@H+](CC1CC[NH2+]CC1)C1CCNCC1 ZINC000262196178 135285290 /nfs/dbraw/zinc/28/52/90/135285290.db2.gz KAMOTVVRZDSFLD-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[N@@H+](CC1CC[NH2+]CC1)C1CCNCC1 ZINC000262196178 135285292 /nfs/dbraw/zinc/28/52/92/135285292.db2.gz KAMOTVVRZDSFLD-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCC[C@@H]1O ZINC000262288852 135290727 /nfs/dbraw/zinc/29/07/27/135290727.db2.gz VUCZFVXYVPGQQJ-KBPBESRZSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH+]1C)CC[C@@H]1CCCO1 ZINC000342607392 135303013 /nfs/dbraw/zinc/30/30/13/135303013.db2.gz RWAMHLBMILFIKC-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC[C@@H]1CCCO1 ZINC000342607392 135303015 /nfs/dbraw/zinc/30/30/15/135303015.db2.gz RWAMHLBMILFIKC-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC[C@@H]1CCCO1 ZINC000342607392 135303016 /nfs/dbraw/zinc/30/30/16/135303016.db2.gz RWAMHLBMILFIKC-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cnc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)n1C ZINC000342779098 135317178 /nfs/dbraw/zinc/31/71/78/135317178.db2.gz OLPGLMBUTMRGEA-QWHCGFSZSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1cnc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1C ZINC000342775908 135327053 /nfs/dbraw/zinc/32/70/53/135327053.db2.gz FZANHNKIGYVUNG-QWHCGFSZSA-N 2 1 248.374 1.397 20 0 BDADMP CCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334391057 135386043 /nfs/dbraw/zinc/38/60/43/135386043.db2.gz USYXOKHVURBKPE-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334412720 135396620 /nfs/dbraw/zinc/39/66/20/135396620.db2.gz LKNRXLAUDXYINP-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334412720 135396622 /nfs/dbraw/zinc/39/66/22/135396622.db2.gz LKNRXLAUDXYINP-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP CC(C)n1ccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000085160803 135479801 /nfs/dbraw/zinc/47/98/01/135479801.db2.gz AETNHJIUUMWBFH-UHFFFAOYSA-N 2 1 236.363 1.635 20 0 BDADMP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)no1 ZINC000335296323 136006247 /nfs/dbraw/zinc/00/62/47/136006247.db2.gz MQOKZFBCFZNFLY-CYBMUJFWSA-N 2 1 235.331 1.639 20 0 BDADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335552519 136098361 /nfs/dbraw/zinc/09/83/61/136098361.db2.gz OAKHWSHYTGEONA-AWEZNQCLSA-N 2 1 248.395 1.826 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000335554135 136098812 /nfs/dbraw/zinc/09/88/12/136098812.db2.gz DKMGUXNYRYURIF-OTTFEQOBSA-N 3 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381604047 397762865 /nfs/dbraw/zinc/76/28/65/397762865.db2.gz PDEDGMRZRFXHEJ-MNOVXSKESA-N 2 1 208.349 1.859 20 0 BDADMP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000382393277 397946367 /nfs/dbraw/zinc/94/63/67/397946367.db2.gz MZPBAADHKMRPHE-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000390556396 397895739 /nfs/dbraw/zinc/89/57/39/397895739.db2.gz QPJIICAKESBATH-QJPTWQEYSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000390556396 397895740 /nfs/dbraw/zinc/89/57/40/397895740.db2.gz QPJIICAKESBATH-QJPTWQEYSA-N 2 1 226.389 1.423 20 0 BDADMP CCC(CC)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000647881189 397915415 /nfs/dbraw/zinc/91/54/15/397915415.db2.gz PCGJUGHBPCBMJI-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCCO1 ZINC000383108893 398001139 /nfs/dbraw/zinc/00/11/39/398001139.db2.gz QLUURWDICMOIDE-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCCO1 ZINC000383108891 398001264 /nfs/dbraw/zinc/00/12/64/398001264.db2.gz QLUURWDICMOIDE-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000383194382 398010304 /nfs/dbraw/zinc/01/03/04/398010304.db2.gz SRHLGPWKPZOEAP-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)CC[C@H]1C ZINC000414690016 398019736 /nfs/dbraw/zinc/01/97/36/398019736.db2.gz HFLVHVMSLWPQMG-OLZOCXBDSA-N 2 1 227.396 1.386 20 0 BDADMP C[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)[NH+](C)C ZINC000277010551 398024760 /nfs/dbraw/zinc/02/47/60/398024760.db2.gz AVAPSEDWGBKFHU-JTQLQIEISA-N 2 1 249.362 1.661 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccncc2)CC1 ZINC000277016279 398024892 /nfs/dbraw/zinc/02/48/92/398024892.db2.gz ABYBZQARSXPTTP-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000277016279 398024896 /nfs/dbraw/zinc/02/48/96/398024896.db2.gz ABYBZQARSXPTTP-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+]CCc1c[nH+]cn1C ZINC000649691639 398038393 /nfs/dbraw/zinc/03/83/93/398038393.db2.gz LXHGSNZOWPBORW-AAEUAGOBSA-N 2 1 239.363 1.349 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414860254 398066901 /nfs/dbraw/zinc/06/69/01/398066901.db2.gz CFXRFLQTAJEATB-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cccc2c1NCC2 ZINC000414860285 398067067 /nfs/dbraw/zinc/06/70/67/398067067.db2.gz PCIWGSSMVXHWLS-UHFFFAOYSA-N 2 1 219.332 1.354 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC(C)(C)C[NH3+])s1 ZINC000086637159 398056501 /nfs/dbraw/zinc/05/65/01/398056501.db2.gz JGGSADCRMMCCBN-UHFFFAOYSA-N 2 1 227.377 1.868 20 0 BDADMP Cc1ncc(C[N@H+](C)CC(C)(C)C[NH3+])s1 ZINC000086637159 398056506 /nfs/dbraw/zinc/05/65/06/398056506.db2.gz JGGSADCRMMCCBN-UHFFFAOYSA-N 2 1 227.377 1.868 20 0 BDADMP CC(C)(C)[NH2+]CCNCCC[C@@H]1CCC[NH2+]1 ZINC000414969841 398131477 /nfs/dbraw/zinc/13/14/77/398131477.db2.gz UGQOUZIEWBIRPI-GFCCVEGCSA-N 2 1 227.396 1.496 20 0 BDADMP CC(C)(C)NCC[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969841 398131479 /nfs/dbraw/zinc/13/14/79/398131479.db2.gz UGQOUZIEWBIRPI-GFCCVEGCSA-N 2 1 227.396 1.496 20 0 BDADMP CC(C)[NH2+]CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000370485241 167106683 /nfs/dbraw/zinc/10/66/83/167106683.db2.gz SEMHURAKSLSDHR-AWEZNQCLSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[NH2+]CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000370485241 167106685 /nfs/dbraw/zinc/10/66/85/167106685.db2.gz SEMHURAKSLSDHR-AWEZNQCLSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000393282059 487571282 /nfs/dbraw/zinc/57/12/82/487571282.db2.gz YXEIPLAHFDURTH-XQQFMLRXSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000336679606 167214786 /nfs/dbraw/zinc/21/47/86/167214786.db2.gz ALMQLIAUOJWWLK-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000393734087 487579385 /nfs/dbraw/zinc/57/93/85/487579385.db2.gz ADGDNNDJXJZZFX-UPJWGTAASA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122347190 167235751 /nfs/dbraw/zinc/23/57/51/167235751.db2.gz LHPYLYUZHBXRHI-WDEREUQCSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000337330325 167257271 /nfs/dbraw/zinc/25/72/71/167257271.db2.gz GNOFIBFUAZROJU-CHWSQXEVSA-N 2 1 240.391 1.874 20 0 BDADMP CC/C=C/C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655773367 487588445 /nfs/dbraw/zinc/58/84/45/487588445.db2.gz XHOJSQNPECIALK-RDFMZFSFSA-N 2 1 238.375 1.796 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cnn(C)c2)[C@@H]1CC[NH3+] ZINC000404398662 487596764 /nfs/dbraw/zinc/59/67/64/487596764.db2.gz PURXOYVYUIZBRI-WCQYABFASA-N 2 1 236.363 1.369 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000662265845 409559143 /nfs/dbraw/zinc/55/91/43/409559143.db2.gz JEVUVYFEKZQZTR-IACUBPJLSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C1CCC1 ZINC000662264207 409560384 /nfs/dbraw/zinc/56/03/84/409560384.db2.gz CGIUPBSCYXOKQU-CYZMBNFOSA-N 2 1 226.364 1.471 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000662265959 409563612 /nfs/dbraw/zinc/56/36/12/409563612.db2.gz UZRDWSJTBBMNAG-WPRPVWTQSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000662265959 409563617 /nfs/dbraw/zinc/56/36/17/409563617.db2.gz UZRDWSJTBBMNAG-WPRPVWTQSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000662265672 409564285 /nfs/dbraw/zinc/56/42/85/409564285.db2.gz HSRPSJNJHFLTGY-WCBMZHEXSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000662265672 409564296 /nfs/dbraw/zinc/56/42/96/409564296.db2.gz HSRPSJNJHFLTGY-WCBMZHEXSA-N 2 1 209.293 1.152 20 0 BDADMP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC[C@H]1[NH3+] ZINC000662244405 409538851 /nfs/dbraw/zinc/53/88/51/409538851.db2.gz NWKSBUAGGPOBJY-BBBLOLIVSA-N 2 1 234.290 1.080 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CC[C@H]1[NH3+] ZINC000662244405 409538858 /nfs/dbraw/zinc/53/88/58/409538858.db2.gz NWKSBUAGGPOBJY-BBBLOLIVSA-N 2 1 234.290 1.080 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000653175993 410153248 /nfs/dbraw/zinc/15/32/48/410153248.db2.gz HSEIWTLCTMDJQE-NEPJUHHUSA-N 2 1 243.395 1.064 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000653175995 410151938 /nfs/dbraw/zinc/15/19/38/410151938.db2.gz HSEIWTLCTMDJQE-RYUDHWBXSA-N 2 1 243.395 1.064 20 0 BDADMP C[NH+](C)CC1(C[NH2+]Cc2cn[nH]c2)CCCC1 ZINC000680545259 487614301 /nfs/dbraw/zinc/61/43/01/487614301.db2.gz BNFPYLGEWFPHCH-UHFFFAOYSA-N 2 1 236.363 1.621 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000309037739 410206472 /nfs/dbraw/zinc/20/64/72/410206472.db2.gz HISYZUIGTQTHDT-TXEJJXNPSA-N 2 1 222.357 1.708 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000309037739 410206478 /nfs/dbraw/zinc/20/64/78/410206478.db2.gz HISYZUIGTQTHDT-TXEJJXNPSA-N 2 1 222.357 1.708 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1CC[NH3+] ZINC000650711747 410341869 /nfs/dbraw/zinc/34/18/69/410341869.db2.gz CAHXNKVQQXSKLQ-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1CC[NH3+] ZINC000650711747 410341876 /nfs/dbraw/zinc/34/18/76/410341876.db2.gz CAHXNKVQQXSKLQ-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2cc[nH]n2)[C@@H]1CC[NH3+] ZINC000650711502 410342930 /nfs/dbraw/zinc/34/29/30/410342930.db2.gz VYDVTTRVKHFTEJ-CMPLNLGQSA-N 2 1 222.336 1.359 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cc[nH]n2)[C@@H]1CC[NH3+] ZINC000650711502 410342935 /nfs/dbraw/zinc/34/29/35/410342935.db2.gz VYDVTTRVKHFTEJ-CMPLNLGQSA-N 2 1 222.336 1.359 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(N)nc2)[C@@H]1CC[NH3+] ZINC000650712283 410343055 /nfs/dbraw/zinc/34/30/55/410343055.db2.gz ZBYOMUSONGPRQO-DGCLKSJQSA-N 2 1 248.374 1.443 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@H](C)CO)CC1 ZINC000650714781 410346535 /nfs/dbraw/zinc/34/65/35/410346535.db2.gz BNXQJFWYKVDETP-TZMCWYRMSA-N 2 1 242.407 1.700 20 0 BDADMP CCO[C@@H]1C[N@@H+](CC2(C)CC2)C[C@H]1C[NH3+] ZINC000650714512 410347727 /nfs/dbraw/zinc/34/77/27/410347727.db2.gz JVLXZLJNPXRJFV-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP C[NH2+]Cc1ccccc1CNC[C@@]1(C)CC[NH2+]C1 ZINC000650720685 410360555 /nfs/dbraw/zinc/36/05/55/410360555.db2.gz YODWQCGNJYTDBR-HNNXBMFYSA-N 2 1 247.386 1.495 20 0 BDADMP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1c[nH+]ccc1N ZINC000650762149 410412209 /nfs/dbraw/zinc/41/22/09/410412209.db2.gz VDKCDUVYQXSNQQ-NSHDSACASA-N 3 1 248.374 1.534 20 0 BDADMP C[C@H]1C[C@H](NCC2([NH3+])CCCC2)C[N@H+]1C1CC1 ZINC000665249410 410731515 /nfs/dbraw/zinc/73/15/15/410731515.db2.gz PUCQQAYLHZREKF-RYUDHWBXSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)CN1C1CC1 ZINC000665249410 410731520 /nfs/dbraw/zinc/73/15/20/410731520.db2.gz PUCQQAYLHZREKF-RYUDHWBXSA-N 2 1 237.391 1.473 20 0 BDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CC[NH2+]C1 ZINC000394323856 410789255 /nfs/dbraw/zinc/78/92/55/410789255.db2.gz KBMZNHALWXVZGF-MJBXVCDLSA-N 2 1 237.391 1.155 20 0 BDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000394323856 410789265 /nfs/dbraw/zinc/78/92/65/410789265.db2.gz KBMZNHALWXVZGF-MJBXVCDLSA-N 2 1 237.391 1.155 20 0 BDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000394323856 410789268 /nfs/dbraw/zinc/78/92/68/410789268.db2.gz KBMZNHALWXVZGF-MJBXVCDLSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1F ZINC000395074818 410836227 /nfs/dbraw/zinc/83/62/27/410836227.db2.gz TWMQRDAPOZMHQS-STQMWFEESA-N 2 1 234.318 1.785 20 0 BDADMP CC(C)[NH2+]CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368318084 167103830 /nfs/dbraw/zinc/10/38/30/167103830.db2.gz PGOKVGVHOMXGJU-CYBMUJFWSA-N 2 1 225.380 1.012 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626557 167230703 /nfs/dbraw/zinc/23/07/03/167230703.db2.gz JLEPMYLZPDISAQ-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000300916498 169789464 /nfs/dbraw/zinc/78/94/64/169789464.db2.gz YXKOLQJYPHSCPT-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000398463820 410966994 /nfs/dbraw/zinc/96/69/94/410966994.db2.gz ZKNRWEGIUYZPFH-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000398503105 410969204 /nfs/dbraw/zinc/96/92/04/410969204.db2.gz CEHVUJPDQHKAHL-NEPJUHHUSA-N 2 1 214.353 1.269 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000398503108 410970800 /nfs/dbraw/zinc/97/08/00/410970800.db2.gz CEHVUJPDQHKAHL-RYUDHWBXSA-N 2 1 214.353 1.269 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000300949732 411128349 /nfs/dbraw/zinc/12/83/49/411128349.db2.gz HAFPOXRONASUNT-VXGBXAGGSA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000043617092 411124006 /nfs/dbraw/zinc/12/40/06/411124006.db2.gz UBAYVGZLTZYLPH-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP CCOCC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000043617092 411124008 /nfs/dbraw/zinc/12/40/08/411124008.db2.gz UBAYVGZLTZYLPH-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000300717282 411125512 /nfs/dbraw/zinc/12/55/12/411125512.db2.gz ONFOVAYUDWSOHL-YPMHNXCESA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC2CCCC2)CCO1 ZINC000300717282 411125514 /nfs/dbraw/zinc/12/55/14/411125514.db2.gz ONFOVAYUDWSOHL-YPMHNXCESA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)CC[N@H+]1C ZINC000652311605 411197747 /nfs/dbraw/zinc/19/77/47/411197747.db2.gz RNQYFZKZTWAQAT-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000656193944 411199665 /nfs/dbraw/zinc/19/96/65/411199665.db2.gz ZFPGUHDMNMGHKQ-GFCCVEGCSA-N 2 1 226.364 1.757 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000656193944 411199669 /nfs/dbraw/zinc/19/96/69/411199669.db2.gz ZFPGUHDMNMGHKQ-GFCCVEGCSA-N 2 1 226.364 1.757 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C[C@H](C)O)C1CC1 ZINC000656195078 411200353 /nfs/dbraw/zinc/20/03/53/411200353.db2.gz YOTITHYAPPQMAK-QWRGUYRKSA-N 2 1 214.353 1.205 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C[C@H](C)O)C1CC1 ZINC000656195078 411200354 /nfs/dbraw/zinc/20/03/54/411200354.db2.gz YOTITHYAPPQMAK-QWRGUYRKSA-N 2 1 214.353 1.205 20 0 BDADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198009 411203123 /nfs/dbraw/zinc/20/31/23/411203123.db2.gz BODRQZLCFQOUBC-CHWSQXEVSA-N 2 1 249.358 1.840 20 0 BDADMP CCOc1ncccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656198018 411203259 /nfs/dbraw/zinc/20/32/59/411203259.db2.gz BODRQZLCFQOUBC-STQMWFEESA-N 2 1 249.358 1.840 20 0 BDADMP CCC1(CC)CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338362 411204498 /nfs/dbraw/zinc/20/44/98/411204498.db2.gz XCQKFWFMVSBBSV-LBPRGKRZSA-N 2 1 228.380 1.469 20 0 BDADMP OCCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000652343664 411208032 /nfs/dbraw/zinc/20/80/32/411208032.db2.gz CKZAOLDWZVMKTM-HNNXBMFYSA-N 2 1 248.370 1.481 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCF)C2)C1 ZINC000652349203 411211170 /nfs/dbraw/zinc/21/11/70/411211170.db2.gz FMEPZIPHOAGZQQ-UPJWGTAASA-N 2 1 244.354 1.564 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652353521 411212435 /nfs/dbraw/zinc/21/24/35/411212435.db2.gz NXLKAHGPSGFVNO-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652353521 411212436 /nfs/dbraw/zinc/21/24/36/411212436.db2.gz NXLKAHGPSGFVNO-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOCC1CC1)C2 ZINC000652352105 411212794 /nfs/dbraw/zinc/21/27/94/411212794.db2.gz FRAKVVBJVDILKT-KBPBESRZSA-N 2 1 238.375 1.474 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOCC2CC2)[C@@H]1CC[NH3+] ZINC000652355107 411215401 /nfs/dbraw/zinc/21/54/01/411215401.db2.gz PKAQYEDWQSTPDZ-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360822 411216678 /nfs/dbraw/zinc/21/66/78/411216678.db2.gz RDHTZALBVBFYBW-JHJVBQTASA-N 2 1 226.364 1.757 20 0 BDADMP CCn1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000423173658 411236560 /nfs/dbraw/zinc/23/65/60/411236560.db2.gz ZOHCVHCRKIXFBP-UWVGGRQHSA-N 2 1 210.325 1.118 20 0 BDADMP CCn1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000423173657 411236625 /nfs/dbraw/zinc/23/66/25/411236625.db2.gz ZOHCVHCRKIXFBP-NXEZZACHSA-N 2 1 210.325 1.118 20 0 BDADMP CCOC(=O)C1CCC([NH2+][C@H](C)C[NH2+]C)CC1 ZINC000596108761 411166431 /nfs/dbraw/zinc/16/64/31/411166431.db2.gz XVAJRSFSPHNASS-VOMCLLRMSA-N 2 1 242.363 1.306 20 0 BDADMP Fc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088287499 411263577 /nfs/dbraw/zinc/26/35/77/411263577.db2.gz BTTDIMNLLKVONV-TXEJJXNPSA-N 2 1 220.291 1.477 20 0 BDADMP Fc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088287499 411263580 /nfs/dbraw/zinc/26/35/80/411263580.db2.gz BTTDIMNLLKVONV-TXEJJXNPSA-N 2 1 220.291 1.477 20 0 BDADMP CCCC[N@@H+](CCOC)C[C@@H]1CC[NH2+]C1 ZINC000309840486 411268609 /nfs/dbraw/zinc/26/86/09/411268609.db2.gz OOUHLQGDZIEIPF-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCCn3ccnc32)CC[N@H+]1C ZINC000655715433 411270132 /nfs/dbraw/zinc/27/01/32/411270132.db2.gz KCEIAEBGPGPWIK-UPJWGTAASA-N 2 1 248.374 1.790 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000401659782 411273424 /nfs/dbraw/zinc/27/34/24/411273424.db2.gz WYUWDEBFKHJXMG-JSGCOSHPSA-N 2 1 248.370 1.825 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000402608127 411273378 /nfs/dbraw/zinc/27/33/78/411273378.db2.gz VMLDCHLZLYVEEO-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051889635 411285353 /nfs/dbraw/zinc/28/53/53/411285353.db2.gz JKPLZCDCHLMLPS-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000051889917 411285486 /nfs/dbraw/zinc/28/54/86/411285486.db2.gz PRAKZJPNIBEMPP-GFCCVEGCSA-N 2 1 222.307 1.867 20 0 BDADMP C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000051889917 411285488 /nfs/dbraw/zinc/28/54/88/411285488.db2.gz PRAKZJPNIBEMPP-GFCCVEGCSA-N 2 1 222.307 1.867 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000401710708 411299341 /nfs/dbraw/zinc/29/93/41/411299341.db2.gz VMGNNXIKVSYAPZ-JSGCOSHPSA-N 2 1 218.344 1.817 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](NCC[N@@H+](C)C2CCCC2)C1 ZINC000401737951 411305933 /nfs/dbraw/zinc/30/59/33/411305933.db2.gz PZLUNBXFNOFSEQ-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccccn1 ZINC000656782641 411359884 /nfs/dbraw/zinc/35/98/84/411359884.db2.gz HZPODIIBMMJGJW-YNEHKIRRSA-N 2 1 233.359 1.773 20 0 BDADMP C[NH2+]CCCNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787482 411365855 /nfs/dbraw/zinc/36/58/55/411365855.db2.gz ZGHPTQHFUHDZTQ-UHFFFAOYSA-N 2 1 233.359 1.031 20 0 BDADMP [NH3+][C@@H](C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656787290 411366055 /nfs/dbraw/zinc/36/60/55/411366055.db2.gz WSJAFZXJLDJGCU-HNNXBMFYSA-N 3 1 245.370 1.159 20 0 BDADMP C[N@@H+](CC1=CCCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000656791057 411370497 /nfs/dbraw/zinc/37/04/97/411370497.db2.gz RLTWXRUTDXLAEH-ZDUSSCGKSA-N 2 1 224.348 1.265 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)CC[NH2+]1 ZINC000656791487 411370537 /nfs/dbraw/zinc/37/05/37/411370537.db2.gz HRRUAOJCMURFOV-AAVRWANBSA-N 2 1 238.375 1.343 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000656792557 411371795 /nfs/dbraw/zinc/37/17/95/411371795.db2.gz SLSVAKBJOWJDEM-AGIUHOORSA-N 2 1 228.380 1.859 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000656792557 411371799 /nfs/dbraw/zinc/37/17/99/411371799.db2.gz SLSVAKBJOWJDEM-AGIUHOORSA-N 2 1 228.380 1.859 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]CCCC1CCC1 ZINC000656710362 411335489 /nfs/dbraw/zinc/33/54/89/411335489.db2.gz JAJCALGBNCMXQB-ZDUSSCGKSA-N 2 1 228.380 1.469 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@]2(C)OC)CC1 ZINC000658334544 411343234 /nfs/dbraw/zinc/34/32/34/411343234.db2.gz MHUTYJSDUJDCEQ-NEPJUHHUSA-N 2 1 212.337 1.238 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000656791753 411372541 /nfs/dbraw/zinc/37/25/41/411372541.db2.gz JLLXGYOPYRHAKJ-FRRDWIJNSA-N 2 1 226.364 1.328 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@@H]21 ZINC000335759029 168012681 /nfs/dbraw/zinc/01/26/81/168012681.db2.gz QFLYHTVWRXMNQN-BETUJISGSA-N 2 1 222.376 1.964 20 0 BDADMP CC1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000309798633 168164868 /nfs/dbraw/zinc/16/48/68/168164868.db2.gz QSXCZXVUEREHRG-WXRRBKDZSA-N 2 1 226.364 1.221 20 0 BDADMP CC1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000309798633 168164871 /nfs/dbraw/zinc/16/48/71/168164871.db2.gz QSXCZXVUEREHRG-WXRRBKDZSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1CC[NH3+] ZINC000404299985 411389890 /nfs/dbraw/zinc/38/98/90/411389890.db2.gz PRSCZFWEAOYPPG-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404360389 411391500 /nfs/dbraw/zinc/39/15/00/411391500.db2.gz DYDWUVATLQFHTA-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927432 411383900 /nfs/dbraw/zinc/38/39/00/411383900.db2.gz QKIRUHTVPFPIDK-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659929113 411384641 /nfs/dbraw/zinc/38/46/41/411384641.db2.gz WYSOCGNDSODJNI-NWDGAFQWSA-N 2 1 226.364 1.437 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659929111 411384868 /nfs/dbraw/zinc/38/48/68/411384868.db2.gz WYSOCGNDSODJNI-NEPJUHHUSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CO1 ZINC000657312038 411459646 /nfs/dbraw/zinc/45/96/46/411459646.db2.gz CPRUBBUDOLZTAM-RFQIPJPRSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CO1 ZINC000657312038 411459648 /nfs/dbraw/zinc/45/96/48/411459648.db2.gz CPRUBBUDOLZTAM-RFQIPJPRSA-N 2 1 238.375 1.770 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404427702 411396247 /nfs/dbraw/zinc/39/62/47/411396247.db2.gz MRNCJLMHBREFJU-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000404503945 411399165 /nfs/dbraw/zinc/39/91/65/411399165.db2.gz FXKSPTMCYPSHLW-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]Cc1cccc(NC(=O)CC(F)(F)C[NH3+])c1 ZINC000653043380 411402005 /nfs/dbraw/zinc/40/20/05/411402005.db2.gz RYNTXFUTZDVRNG-UHFFFAOYSA-N 2 1 243.257 1.068 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1cn[nH]c1 ZINC000380969869 411404160 /nfs/dbraw/zinc/40/41/60/411404160.db2.gz FGYNNSCZUZBYHS-GFCCVEGCSA-N 2 1 224.352 1.257 20 0 BDADMP CCC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000380977707 411404604 /nfs/dbraw/zinc/40/46/04/411404604.db2.gz BUJRTGCHQDVDSL-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP CCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000380977707 411404608 /nfs/dbraw/zinc/40/46/08/411404608.db2.gz BUJRTGCHQDVDSL-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)CO1 ZINC000657315445 411461659 /nfs/dbraw/zinc/46/16/59/411461659.db2.gz NCJXATCQGSXEBI-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647880306 411412231 /nfs/dbraw/zinc/41/22/31/411412231.db2.gz FCAVLJDYELXGIQ-DZGCQCFKSA-N 2 1 248.370 1.479 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226436343 411429644 /nfs/dbraw/zinc/42/96/44/411429644.db2.gz SBMKYFRDUKQKNM-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1C[NH3+] ZINC000405487395 411432230 /nfs/dbraw/zinc/43/22/30/411432230.db2.gz YXVHKVGYQKBJSJ-HUUCEWRRSA-N 2 1 248.370 1.791 20 0 BDADMP CCO[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C[NH3+] ZINC000405519181 411432711 /nfs/dbraw/zinc/43/27/11/411432711.db2.gz INRNRQXFAQRCDF-ZIAGYGMSSA-N 2 1 240.391 1.862 20 0 BDADMP N[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414661691 411438039 /nfs/dbraw/zinc/43/80/39/411438039.db2.gz XOGGTSYFYGGLLI-IHRRRGAJSA-N 2 1 216.328 1.823 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414661691 411438040 /nfs/dbraw/zinc/43/80/40/411438040.db2.gz XOGGTSYFYGGLLI-IHRRRGAJSA-N 2 1 216.328 1.823 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414661691 411438041 /nfs/dbraw/zinc/43/80/41/411438041.db2.gz XOGGTSYFYGGLLI-IHRRRGAJSA-N 2 1 216.328 1.823 20 0 BDADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414764748 411445254 /nfs/dbraw/zinc/44/52/54/411445254.db2.gz ZDBFJKMWDDMXTP-RYUDHWBXSA-N 2 1 227.396 1.399 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000657353902 411473917 /nfs/dbraw/zinc/47/39/17/411473917.db2.gz KXOIWGUQLMUYAY-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659925505 411500020 /nfs/dbraw/zinc/50/00/20/411500020.db2.gz JPDRSVHKPHLVSG-GHMZBOCLSA-N 2 1 248.317 1.294 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659925505 411500024 /nfs/dbraw/zinc/50/00/24/411500024.db2.gz JPDRSVHKPHLVSG-GHMZBOCLSA-N 2 1 248.317 1.294 20 0 BDADMP C[NH+](C)C1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000655793043 411515712 /nfs/dbraw/zinc/51/57/12/411515712.db2.gz MWRRPUHGXOIQDX-ZIHBUVQPSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@H](C[NH2+]Cc1cnc2n1CCC2)C[NH+](C)C ZINC000657472774 411523312 /nfs/dbraw/zinc/52/33/12/411523312.db2.gz ZOFMKEDLFBLAEF-LLVKDONJSA-N 2 1 236.363 1.117 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657483147 411529336 /nfs/dbraw/zinc/52/93/36/411529336.db2.gz KUFJLTWDULRXNI-HVUVFQHFSA-N 2 1 238.375 1.769 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371299445 170005650 /nfs/dbraw/zinc/00/56/50/170005650.db2.gz HAWMDVSBFFVRPD-QJPTWQEYSA-N 2 1 212.337 1.190 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC)C[C@H]1C ZINC000336643138 170010636 /nfs/dbraw/zinc/01/06/36/170010636.db2.gz BPPLEZYZHOLHCR-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC)C[C@H]1C ZINC000336643138 170010637 /nfs/dbraw/zinc/01/06/37/170010637.db2.gz BPPLEZYZHOLHCR-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCC2CC2)[C@H](C)C1 ZINC000358078802 170012355 /nfs/dbraw/zinc/01/23/55/170012355.db2.gz DKAOYPZVBUKNAP-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)O)[C@@H](C)C1 ZINC000336776241 170012698 /nfs/dbraw/zinc/01/26/98/170012698.db2.gz FFWPGSMREZODJT-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000356855250 170017363 /nfs/dbraw/zinc/01/73/63/170017363.db2.gz UZYCBNVVYWJZDO-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H](C)O)[C@@H](C)C1 ZINC000336730885 170018071 /nfs/dbraw/zinc/01/80/71/170018071.db2.gz YJRUQKRNGZWRPV-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@@H](C)O)[C@@H](C)C1 ZINC000336730885 170018072 /nfs/dbraw/zinc/01/80/72/170018072.db2.gz YJRUQKRNGZWRPV-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@@H](C)O)[C@@H](C)C1 ZINC000336730885 170018073 /nfs/dbraw/zinc/01/80/73/170018073.db2.gz YJRUQKRNGZWRPV-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)C)C[C@H]1C ZINC000336710125 170019170 /nfs/dbraw/zinc/01/91/70/170019170.db2.gz OUVFDSAHVKAFNK-RDBSUJKOSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)C(C)C)C[C@H]1C ZINC000336710125 170019172 /nfs/dbraw/zinc/01/91/72/170019172.db2.gz OUVFDSAHVKAFNK-RDBSUJKOSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)C(C)C)C[C@H]1C ZINC000336710125 170019173 /nfs/dbraw/zinc/01/91/73/170019173.db2.gz OUVFDSAHVKAFNK-RDBSUJKOSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnccn2)[C@@H](C)C1 ZINC000341887057 170020908 /nfs/dbraw/zinc/02/09/08/170020908.db2.gz KEFQGJDNPRKXLA-JSGCOSHPSA-N 2 1 248.374 1.339 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H](C)CO)[C@H](C)C1 ZINC000358363858 170021275 /nfs/dbraw/zinc/02/12/75/170021275.db2.gz FDORNTSKASLCFH-MJBXVCDLSA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H](C)CO)[C@H](C)C1 ZINC000358363856 170021705 /nfs/dbraw/zinc/02/17/05/170021705.db2.gz FDORNTSKASLCFH-MCIONIFRSA-N 2 1 242.407 1.715 20 0 BDADMP Cn1cc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000657522195 411540423 /nfs/dbraw/zinc/54/04/23/411540423.db2.gz BJHQZKGPEYIEAU-LBPRGKRZSA-N 2 1 236.363 1.383 20 0 BDADMP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000657559773 411550844 /nfs/dbraw/zinc/55/08/44/411550844.db2.gz QSRDEZGBZBLGKI-IHRRRGAJSA-N 2 1 238.375 1.364 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657629237 411566484 /nfs/dbraw/zinc/56/64/84/411566484.db2.gz QNPCSHOMKHONFJ-RDBSUJKOSA-N 2 1 240.391 1.610 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657611178 411563050 /nfs/dbraw/zinc/56/30/50/411563050.db2.gz KSEZDVZKHZGETA-AAVRWANBSA-N 2 1 238.375 1.770 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367640320 170382538 /nfs/dbraw/zinc/38/25/38/170382538.db2.gz ZSRWTYOQHLDPHD-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C([NH2+][C@H]1CCOC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345931 411633236 /nfs/dbraw/zinc/63/32/36/411633236.db2.gz PDOPOQKHZXNFIN-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2COC(C)(C)C2)CC1 ZINC000660415158 411581200 /nfs/dbraw/zinc/58/12/00/411581200.db2.gz ALDRBSOLWOIQSS-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP CC1=C[C@@H](C)CN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660460061 411587925 /nfs/dbraw/zinc/58/79/25/411587925.db2.gz QBZWAFBAPCCAON-OCCSQVGLSA-N 2 1 240.391 1.586 20 0 BDADMP CC1=C[C@@H](C)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660460061 411587926 /nfs/dbraw/zinc/58/79/26/411587926.db2.gz QBZWAFBAPCCAON-OCCSQVGLSA-N 2 1 240.391 1.586 20 0 BDADMP CC1=C[C@@H](C)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660460061 411587927 /nfs/dbraw/zinc/58/79/27/411587927.db2.gz QBZWAFBAPCCAON-OCCSQVGLSA-N 2 1 240.391 1.586 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616125 411608034 /nfs/dbraw/zinc/60/80/34/411608034.db2.gz GYRYAQIMWJEQFC-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616125 411608035 /nfs/dbraw/zinc/60/80/35/411608035.db2.gz GYRYAQIMWJEQFC-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616125 411608036 /nfs/dbraw/zinc/60/80/36/411608036.db2.gz GYRYAQIMWJEQFC-TZMCWYRMSA-N 2 1 238.375 1.582 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1(CCO)CCCC1 ZINC000660681862 411617074 /nfs/dbraw/zinc/61/70/74/411617074.db2.gz BOSNNUMXUVXENZ-UHFFFAOYSA-N 2 1 237.347 1.247 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1(CCO)CCCC1 ZINC000660682526 411617162 /nfs/dbraw/zinc/61/71/62/411617162.db2.gz OMJBVZWYKWLBGQ-UHFFFAOYSA-N 2 1 237.347 1.476 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)CC[N@H+]1C ZINC000133121944 411621790 /nfs/dbraw/zinc/62/17/90/411621790.db2.gz GOZIUUAOASGQDA-WFASDCNBSA-N 2 1 248.370 1.751 20 0 BDADMP Cc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)nc1 ZINC000663498510 411680579 /nfs/dbraw/zinc/68/05/79/411680579.db2.gz ODQWHZHUQQMTCO-CYBMUJFWSA-N 2 1 221.348 1.853 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000663509328 411692991 /nfs/dbraw/zinc/69/29/91/411692991.db2.gz IZRJLWNNSNCEKT-NXEZZACHSA-N 2 1 212.362 1.877 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000663509331 411693039 /nfs/dbraw/zinc/69/30/39/411693039.db2.gz IZRJLWNNSNCEKT-VHSXEESVSA-N 2 1 212.362 1.877 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000663509801 411693553 /nfs/dbraw/zinc/69/35/53/411693553.db2.gz MEZOEOMNODBWOW-CYBMUJFWSA-N 2 1 247.386 1.853 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000663513532 411694186 /nfs/dbraw/zinc/69/41/86/411694186.db2.gz KZHLXOQOUQXBAQ-HTQZYQBOSA-N 2 1 212.259 1.915 20 0 BDADMP Cc1cc(CO)cc(NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC000663776360 411745082 /nfs/dbraw/zinc/74/50/82/411745082.db2.gz RBBIGNPBVNJKPB-UHFFFAOYSA-N 2 1 247.342 1.556 20 0 BDADMP Cc1cc(CO)cc(NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC000663776360 411745084 /nfs/dbraw/zinc/74/50/84/411745084.db2.gz RBBIGNPBVNJKPB-UHFFFAOYSA-N 2 1 247.342 1.556 20 0 BDADMP CCc1cc(N2CC(C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000663950456 411789042 /nfs/dbraw/zinc/78/90/42/411789042.db2.gz JXXKJPQLFUYJMW-UHFFFAOYSA-N 2 1 234.347 1.345 20 0 BDADMP CN(CC[C@H]1CCC[N@H+]1C)CC1=CCCOC1 ZINC000661653514 411831871 /nfs/dbraw/zinc/83/18/71/411831871.db2.gz LBPXSGJIBJUTLQ-CQSZACIVSA-N 2 1 238.375 1.749 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1=CCCOC1 ZINC000661653514 411831874 /nfs/dbraw/zinc/83/18/74/411831874.db2.gz LBPXSGJIBJUTLQ-CQSZACIVSA-N 2 1 238.375 1.749 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1=CCCOC1 ZINC000661653514 411831876 /nfs/dbraw/zinc/83/18/76/411831876.db2.gz LBPXSGJIBJUTLQ-CQSZACIVSA-N 2 1 238.375 1.749 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1=CCCOC1 ZINC000661653514 411831879 /nfs/dbraw/zinc/83/18/79/411831879.db2.gz LBPXSGJIBJUTLQ-CQSZACIVSA-N 2 1 238.375 1.749 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1=CCCOC1 ZINC000661653514 411831883 /nfs/dbraw/zinc/83/18/83/411831883.db2.gz LBPXSGJIBJUTLQ-CQSZACIVSA-N 2 1 238.375 1.749 20 0 BDADMP C[C@@H](CCNc1cc[nH+]cc1Cl)[NH+](C)C ZINC000664245425 411896492 /nfs/dbraw/zinc/89/64/92/411896492.db2.gz NKKBFHAELKAFDB-VIFPVBQESA-N 2 1 227.739 1.909 20 0 BDADMP C[C@@H](O)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000661766305 411875681 /nfs/dbraw/zinc/87/56/81/411875681.db2.gz CKGKBLSAYJGNCW-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H](O)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000661766305 411875685 /nfs/dbraw/zinc/87/56/85/411875685.db2.gz CKGKBLSAYJGNCW-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H](O)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000661766305 411875691 /nfs/dbraw/zinc/87/56/91/411875691.db2.gz CKGKBLSAYJGNCW-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC2(COC2)C1 ZINC000662073243 411974855 /nfs/dbraw/zinc/97/48/55/411974855.db2.gz GHCBPOVJKGHCSU-UHFFFAOYSA-N 2 1 249.358 1.694 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC2(COC2)C1 ZINC000662073243 411974859 /nfs/dbraw/zinc/97/48/59/411974859.db2.gz GHCBPOVJKGHCSU-UHFFFAOYSA-N 2 1 249.358 1.694 20 0 BDADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000336722401 170897582 /nfs/dbraw/zinc/89/75/82/170897582.db2.gz YDXBKOOYNVMJAI-CHWSQXEVSA-N 2 1 237.347 1.596 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662139318 412001120 /nfs/dbraw/zinc/00/11/20/412001120.db2.gz ATYGBXMJHXKGHU-KBPBESRZSA-N 2 1 242.407 1.669 20 0 BDADMP CC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152701 412009869 /nfs/dbraw/zinc/00/98/69/412009869.db2.gz XVSRAHBGBLTJPG-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030212 411945000 /nfs/dbraw/zinc/94/50/00/411945000.db2.gz LHUKBMFCPQSQGF-OLZOCXBDSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030212 411945003 /nfs/dbraw/zinc/94/50/03/411945003.db2.gz LHUKBMFCPQSQGF-OLZOCXBDSA-N 2 1 249.358 1.321 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662034514 411953395 /nfs/dbraw/zinc/95/33/95/411953395.db2.gz NPRIXJHNLGYKKI-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662034514 411953398 /nfs/dbraw/zinc/95/33/98/411953398.db2.gz NPRIXJHNLGYKKI-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662034514 411953400 /nfs/dbraw/zinc/95/34/00/411953400.db2.gz NPRIXJHNLGYKKI-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662039648 411959026 /nfs/dbraw/zinc/95/90/26/411959026.db2.gz YVOYUSHTXPDZKX-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662039648 411959027 /nfs/dbraw/zinc/95/90/27/411959027.db2.gz YVOYUSHTXPDZKX-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CO[C@@H](C[N@@H+](C)CCC[NH3+])C1CCC1 ZINC000662243468 412038815 /nfs/dbraw/zinc/03/88/15/412038815.db2.gz BYBJQOGIJTUZKS-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000662243775 412039823 /nfs/dbraw/zinc/03/98/23/412039823.db2.gz DLZTUQYFGHOGET-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000662243775 412039824 /nfs/dbraw/zinc/03/98/24/412039824.db2.gz DLZTUQYFGHOGET-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C1CCCC1 ZINC000662244927 412041560 /nfs/dbraw/zinc/04/15/60/412041560.db2.gz PQKDDNWQQSLRBX-IACUBPJLSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662244969 412042043 /nfs/dbraw/zinc/04/20/43/412042043.db2.gz KHMLACWFYIJWMJ-RYUDHWBXSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ncn1 ZINC000662244969 412042046 /nfs/dbraw/zinc/04/20/46/412042046.db2.gz KHMLACWFYIJWMJ-RYUDHWBXSA-N 2 1 234.347 1.344 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662248869 412046755 /nfs/dbraw/zinc/04/67/55/412046755.db2.gz DHTKSBWJVXGOJL-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CCCC[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249579 412047559 /nfs/dbraw/zinc/04/75/59/412047559.db2.gz OLZDVTXAMPIVQV-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252115 412048649 /nfs/dbraw/zinc/04/86/49/412048649.db2.gz MDHUSJSEGYTEJB-NWDGAFQWSA-N 2 1 226.364 1.484 20 0 BDADMP CC1(C)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255888 412051034 /nfs/dbraw/zinc/05/10/34/412051034.db2.gz SEVMSAIDQRYGPU-LLVKDONJSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]21 ZINC000662258292 412054918 /nfs/dbraw/zinc/05/49/18/412054918.db2.gz VGOKSBNDRLQILG-UTUOFQBUSA-N 2 1 236.359 1.095 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310485282 171038375 /nfs/dbraw/zinc/03/83/75/171038375.db2.gz GAQLLHOYDLSLMA-YRGRVCCFSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310485282 171038378 /nfs/dbraw/zinc/03/83/78/171038378.db2.gz GAQLLHOYDLSLMA-YRGRVCCFSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310485282 171038380 /nfs/dbraw/zinc/03/83/80/171038380.db2.gz GAQLLHOYDLSLMA-YRGRVCCFSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310485282 171038384 /nfs/dbraw/zinc/03/83/84/171038384.db2.gz GAQLLHOYDLSLMA-YRGRVCCFSA-N 2 1 240.391 1.704 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@@H](C)O ZINC000662179030 412021908 /nfs/dbraw/zinc/02/19/08/412021908.db2.gz FFHIUIZZAVJCNQ-LLVKDONJSA-N 2 1 216.369 1.467 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@@H](C)O ZINC000662179030 412021910 /nfs/dbraw/zinc/02/19/10/412021910.db2.gz FFHIUIZZAVJCNQ-LLVKDONJSA-N 2 1 216.369 1.467 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000359208384 171079094 /nfs/dbraw/zinc/07/90/94/171079094.db2.gz BSKZAIULNQJQPF-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H](C[N@@H+]1CCNC[C@](C)(F)C1)C1CCC1 ZINC000662272265 412062261 /nfs/dbraw/zinc/06/22/61/412062261.db2.gz DJWUKAZFUCROPA-OLZOCXBDSA-N 2 1 244.354 1.435 20 0 BDADMP CO[C@H](C[N@H+]1CCNC[C@](C)(F)C1)C1CCC1 ZINC000662272265 412062264 /nfs/dbraw/zinc/06/22/64/412062264.db2.gz DJWUKAZFUCROPA-OLZOCXBDSA-N 2 1 244.354 1.435 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000662270961 412062582 /nfs/dbraw/zinc/06/25/82/412062582.db2.gz COMSRNSBFTXPIW-NSHDSACASA-N 2 1 223.320 1.544 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233912137 171114078 /nfs/dbraw/zinc/11/40/78/171114078.db2.gz QQAGEOOBHRBZGQ-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275704 412067889 /nfs/dbraw/zinc/06/78/89/412067889.db2.gz HDQYRXAKYRKJHD-RGDJUOJXSA-N 2 1 220.360 1.716 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275704 412067892 /nfs/dbraw/zinc/06/78/92/412067892.db2.gz HDQYRXAKYRKJHD-RGDJUOJXSA-N 2 1 220.360 1.716 20 0 BDADMP CO[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C1CCC1 ZINC000662277792 412069289 /nfs/dbraw/zinc/06/92/89/412069289.db2.gz RYFZZJPHNOOACB-VXGBXAGGSA-N 2 1 228.380 1.765 20 0 BDADMP C[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1C[NH3+] ZINC000662282755 412072906 /nfs/dbraw/zinc/07/29/06/412072906.db2.gz QJKQRUWKKLYZLP-VWYCJHECSA-N 2 1 248.317 1.327 20 0 BDADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+](C)C ZINC000356761477 171232538 /nfs/dbraw/zinc/23/25/38/171232538.db2.gz FGFLIWMFDSXNIE-VXGBXAGGSA-N 2 1 243.395 1.172 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ncn1 ZINC000662282031 412073070 /nfs/dbraw/zinc/07/30/70/412073070.db2.gz BBDBHWYCCMOLDI-RTXFEEFZSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ncn1 ZINC000662282031 412073073 /nfs/dbraw/zinc/07/30/73/412073073.db2.gz BBDBHWYCCMOLDI-RTXFEEFZSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1nnc([C@H](C)[NH+]2CCC(CC[NH3+])CC2)[nH]1 ZINC000662283338 412074413 /nfs/dbraw/zinc/07/44/13/412074413.db2.gz IDKCHZDTCYQSOH-VIFPVBQESA-N 2 1 237.351 1.235 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358230045 171296323 /nfs/dbraw/zinc/29/63/23/171296323.db2.gz GNLWZALNCBPCME-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358230045 171296325 /nfs/dbraw/zinc/29/63/25/171296325.db2.gz GNLWZALNCBPCME-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662301740 412089805 /nfs/dbraw/zinc/08/98/05/412089805.db2.gz SCKLWUSGUBCDLI-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000662312115 412094825 /nfs/dbraw/zinc/09/48/25/412094825.db2.gz FZVCNBHSNJWNCN-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000662312115 412094828 /nfs/dbraw/zinc/09/48/28/412094828.db2.gz FZVCNBHSNJWNCN-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662314201 412095926 /nfs/dbraw/zinc/09/59/26/412095926.db2.gz BPOHKBWWHUCTSY-CHWSQXEVSA-N 2 1 224.348 1.098 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662314205 412096445 /nfs/dbraw/zinc/09/64/45/412096445.db2.gz BPOHKBWWHUCTSY-QWHCGFSZSA-N 2 1 224.348 1.098 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662316744 412097722 /nfs/dbraw/zinc/09/77/22/412097722.db2.gz MKIOEENNWGMIJC-KBPBESRZSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662316748 412098932 /nfs/dbraw/zinc/09/89/32/412098932.db2.gz MKIOEENNWGMIJC-UONOGXRCSA-N 2 1 240.391 1.469 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326188 412103124 /nfs/dbraw/zinc/10/31/24/412103124.db2.gz VZYBSNAFIGHQOZ-QWHCGFSZSA-N 2 1 244.379 1.064 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000665236554 412175728 /nfs/dbraw/zinc/17/57/28/412175728.db2.gz PBTGLNOITCSGRK-XQQFMLRXSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000665236554 412175731 /nfs/dbraw/zinc/17/57/31/412175731.db2.gz PBTGLNOITCSGRK-XQQFMLRXSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000665236552 412175739 /nfs/dbraw/zinc/17/57/39/412175739.db2.gz PBTGLNOITCSGRK-AVGNSLFASA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000665236552 412175741 /nfs/dbraw/zinc/17/57/41/412175741.db2.gz PBTGLNOITCSGRK-AVGNSLFASA-N 2 1 239.407 1.719 20 0 BDADMP Cc1ccncc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000665239695 412180789 /nfs/dbraw/zinc/18/07/89/412180789.db2.gz XQWOSQRNGBUNTB-JSGCOSHPSA-N 2 1 233.359 1.520 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C12CCC2 ZINC000665243145 412183588 /nfs/dbraw/zinc/18/35/88/412183588.db2.gz XUVFNLYPMKQYQT-SRVKXCTJSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665244296 412187536 /nfs/dbraw/zinc/18/75/36/412187536.db2.gz KJDGRIDZKGZFKP-LPEHRKFASA-N 2 1 234.290 1.141 20 0 BDADMP CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665244710 412189718 /nfs/dbraw/zinc/18/97/18/412189718.db2.gz UILFMCRSMFRFIG-VWYCJHECSA-N 2 1 248.317 1.531 20 0 BDADMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cnn(C)c1 ZINC000665249510 412194826 /nfs/dbraw/zinc/19/48/26/412194826.db2.gz RUCOORHZBITIOP-GFCCVEGCSA-N 2 1 236.363 1.732 20 0 BDADMP CN(C)c1nc(N[C@@H]2CC[NH2+]C23CCC3)cc[nH+]1 ZINC000630521896 412201409 /nfs/dbraw/zinc/20/14/09/412201409.db2.gz PYXFYNJDWPLOCH-SNVBAGLBSA-N 2 1 247.346 1.239 20 0 BDADMP CC[C@H]([NH2+]CCc1cncc(C)n1)[C@@H]1CCC[NH2+]1 ZINC000665274871 412217465 /nfs/dbraw/zinc/21/74/65/412217465.db2.gz ZVESPKKDERLLRJ-KBPBESRZSA-N 2 1 248.374 1.448 20 0 BDADMP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621144 412244672 /nfs/dbraw/zinc/24/46/72/412244672.db2.gz FAXYOTUOGRWZHH-JTQLQIEISA-N 2 1 241.379 1.103 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOCCF)c2ccccc21 ZINC000665299437 412248022 /nfs/dbraw/zinc/24/80/22/412248022.db2.gz NCMZLJVOLPWMDH-OLZOCXBDSA-N 2 1 238.306 1.707 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662845562 412319452 /nfs/dbraw/zinc/31/94/52/412319452.db2.gz UORPTWFGNPXOHR-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP CCc1nn(C)cc1CN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000356291907 172041069 /nfs/dbraw/zinc/04/10/69/172041069.db2.gz WLVQLCWGDDDHID-GWCFXTLKSA-N 2 1 236.363 1.022 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229084929 172164644 /nfs/dbraw/zinc/16/46/44/172164644.db2.gz DWCASYPNOGTYRM-YPMHNXCESA-N 2 1 236.363 1.320 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229084929 172164646 /nfs/dbraw/zinc/16/46/46/172164646.db2.gz DWCASYPNOGTYRM-YPMHNXCESA-N 2 1 236.363 1.320 20 0 BDADMP CCn1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000050539737 172172824 /nfs/dbraw/zinc/17/28/24/172172824.db2.gz SIKPRXYCNVHYJV-NSHDSACASA-N 2 1 224.352 1.333 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000310199225 172192234 /nfs/dbraw/zinc/19/22/34/172192234.db2.gz BESWUJASIULDKO-NWDGAFQWSA-N 2 1 238.379 1.751 20 0 BDADMP CCn1cncc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000309774825 172233740 /nfs/dbraw/zinc/23/37/40/172233740.db2.gz PKODYSRTUGZNAV-NSHDSACASA-N 2 1 224.352 1.190 20 0 BDADMP CCn1nccc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000125347510 172272985 /nfs/dbraw/zinc/27/29/85/172272985.db2.gz DMTFGLBTWHWSFW-NEPJUHHUSA-N 2 1 236.363 1.475 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1 ZINC000044563145 173004227 /nfs/dbraw/zinc/00/42/27/173004227.db2.gz VFKLQFAXYQEPCP-GFCCVEGCSA-N 2 1 205.305 1.978 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](O)CC1 ZINC000334245608 173008082 /nfs/dbraw/zinc/00/80/82/173008082.db2.gz SYCVIMHDAYTLJG-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](O)CC1 ZINC000334245608 173008083 /nfs/dbraw/zinc/00/80/83/173008083.db2.gz SYCVIMHDAYTLJG-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](O)CC1 ZINC000334245608 173008084 /nfs/dbraw/zinc/00/80/84/173008084.db2.gz SYCVIMHDAYTLJG-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C2(CC2)C1 ZINC000335681852 173008104 /nfs/dbraw/zinc/00/81/04/173008104.db2.gz QNYUVEXMGQYKIH-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000335681852 173008105 /nfs/dbraw/zinc/00/81/05/173008105.db2.gz QNYUVEXMGQYKIH-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000335681852 173008106 /nfs/dbraw/zinc/00/81/06/173008106.db2.gz QNYUVEXMGQYKIH-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CO)C1 ZINC000305635258 173026977 /nfs/dbraw/zinc/02/69/77/173026977.db2.gz GVXPOWVMAYHYKU-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000305635258 173026979 /nfs/dbraw/zinc/02/69/79/173026979.db2.gz GVXPOWVMAYHYKU-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CO)C1 ZINC000305635258 173026982 /nfs/dbraw/zinc/02/69/82/173026982.db2.gz GVXPOWVMAYHYKU-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]2OCC[C@H]21 ZINC000369783649 173050602 /nfs/dbraw/zinc/05/06/02/173050602.db2.gz KDDLOQPYOAMFOA-BFHYXJOUSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369783649 173050604 /nfs/dbraw/zinc/05/06/04/173050604.db2.gz KDDLOQPYOAMFOA-BFHYXJOUSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369783649 173050606 /nfs/dbraw/zinc/05/06/06/173050606.db2.gz KDDLOQPYOAMFOA-BFHYXJOUSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(O)CC1 ZINC000336543064 173050704 /nfs/dbraw/zinc/05/07/04/173050704.db2.gz FMLQYTZQVRCBPA-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000336543064 173050706 /nfs/dbraw/zinc/05/07/06/173050706.db2.gz FMLQYTZQVRCBPA-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000336543064 173050707 /nfs/dbraw/zinc/05/07/07/173050707.db2.gz FMLQYTZQVRCBPA-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000271410498 173058180 /nfs/dbraw/zinc/05/81/80/173058180.db2.gz XQOYRVLFHRWRTC-LSDHHAIUSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000271410498 173058183 /nfs/dbraw/zinc/05/81/83/173058183.db2.gz XQOYRVLFHRWRTC-LSDHHAIUSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000271410498 173058185 /nfs/dbraw/zinc/05/81/85/173058185.db2.gz XQOYRVLFHRWRTC-LSDHHAIUSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000271410498 173058187 /nfs/dbraw/zinc/05/81/87/173058187.db2.gz XQOYRVLFHRWRTC-LSDHHAIUSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000271410495 173058817 /nfs/dbraw/zinc/05/88/17/173058817.db2.gz XQOYRVLFHRWRTC-GJZGRUSLSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000271410495 173058819 /nfs/dbraw/zinc/05/88/19/173058819.db2.gz XQOYRVLFHRWRTC-GJZGRUSLSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000271410495 173058822 /nfs/dbraw/zinc/05/88/22/173058822.db2.gz XQOYRVLFHRWRTC-GJZGRUSLSA-N 2 1 247.386 1.941 20 0 BDADMP Cn1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000271410495 173058826 /nfs/dbraw/zinc/05/88/26/173058826.db2.gz XQOYRVLFHRWRTC-GJZGRUSLSA-N 2 1 247.386 1.941 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(CC(C)(C)[NH3+])CC[C@@H]21 ZINC000220918266 173060596 /nfs/dbraw/zinc/06/05/96/173060596.db2.gz QANFDHHARPRJOT-RYUDHWBXSA-N 2 1 225.380 1.140 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCF)[C@@H]2C1 ZINC000367423913 173131190 /nfs/dbraw/zinc/13/11/90/173131190.db2.gz NQTOXGYUSUNXPV-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCF)[C@@H]2C1 ZINC000367423913 173131193 /nfs/dbraw/zinc/13/11/93/173131193.db2.gz NQTOXGYUSUNXPV-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCF)[C@@H]2C1 ZINC000367423913 173131194 /nfs/dbraw/zinc/13/11/94/173131194.db2.gz NQTOXGYUSUNXPV-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCF)[C@@H]2C1 ZINC000367423913 173131197 /nfs/dbraw/zinc/13/11/97/173131197.db2.gz NQTOXGYUSUNXPV-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@@H]2CCC[C@@H]21 ZINC000368617010 173152069 /nfs/dbraw/zinc/15/20/69/173152069.db2.gz VUAVEKQNAIITDW-AVGNSLFASA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCF)[C@H]2CCC[C@H]21 ZINC000306939466 173152256 /nfs/dbraw/zinc/15/22/56/173152256.db2.gz KMAWFFWXGOEKAX-OUAUKWLOSA-N 2 1 200.301 1.418 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@@H]2CCC[C@H]21 ZINC000309485089 173152419 /nfs/dbraw/zinc/15/24/19/173152419.db2.gz VDIYMHOJTQHRFZ-SDDRHHMPSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@@H]2CCC[C@@H]21 ZINC000353609185 173152556 /nfs/dbraw/zinc/15/25/56/173152556.db2.gz BGZSDXQZMFMCRJ-IHRRRGAJSA-N 2 1 248.374 1.415 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCO)[C@@H]2CCC[C@@H]21 ZINC000375849203 173152726 /nfs/dbraw/zinc/15/27/26/173152726.db2.gz GGDLRTYASSENRF-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353621303 173152899 /nfs/dbraw/zinc/15/28/99/173152899.db2.gz LTAHEXCZQJCJBU-MELADBBJSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353621303 173152901 /nfs/dbraw/zinc/15/29/01/173152901.db2.gz LTAHEXCZQJCJBU-MELADBBJSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367616172 173153036 /nfs/dbraw/zinc/15/30/36/173153036.db2.gz LJMKKGUEXORFJX-RDBSUJKOSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000353401921 173153891 /nfs/dbraw/zinc/15/38/91/173153891.db2.gz IYQCVPNVWZMWSP-IHRRRGAJSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(C)(C)O)C2)C1 ZINC000309274829 173167754 /nfs/dbraw/zinc/16/77/54/173167754.db2.gz DOVKKOFCONLSOM-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(C)(C)O)C2)C1 ZINC000309274829 173167756 /nfs/dbraw/zinc/16/77/56/173167756.db2.gz DOVKKOFCONLSOM-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(C)(C)O)C2)C1 ZINC000309274829 173167758 /nfs/dbraw/zinc/16/77/58/173167758.db2.gz DOVKKOFCONLSOM-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH2+]C1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000336501287 173322714 /nfs/dbraw/zinc/32/27/14/173322714.db2.gz AXXJSRQQACQYLS-UHFFFAOYSA-N 2 1 245.370 1.838 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000037469303 173322964 /nfs/dbraw/zinc/32/29/64/173322964.db2.gz GUZSSGXXADRJKF-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccnc1 ZINC000054629761 173324136 /nfs/dbraw/zinc/32/41/36/173324136.db2.gz KYOQNZICUIKEAV-YHWZYXNKSA-N 2 1 234.347 1.098 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000063166060 173338505 /nfs/dbraw/zinc/33/85/05/173338505.db2.gz JTEVDOHALWZUAG-UHFFFAOYSA-N 2 1 237.347 1.723 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(C)cc1 ZINC000124923785 173346246 /nfs/dbraw/zinc/34/62/46/173346246.db2.gz LHWAQJHFTRVGPM-UHFFFAOYSA-N 2 1 236.359 1.915 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(C)cc1 ZINC000124923785 173346247 /nfs/dbraw/zinc/34/62/47/173346247.db2.gz LHWAQJHFTRVGPM-UHFFFAOYSA-N 2 1 236.359 1.915 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000309653313 173347301 /nfs/dbraw/zinc/34/73/01/173347301.db2.gz UNWJFKCMXRYYPY-VXGBXAGGSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000309653313 173347303 /nfs/dbraw/zinc/34/73/03/173347303.db2.gz UNWJFKCMXRYYPY-VXGBXAGGSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000063100463 173369421 /nfs/dbraw/zinc/36/94/21/173369421.db2.gz IEQRTCYLETXMLI-QMMMGPOBSA-N 2 1 210.243 1.480 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000063100463 173369422 /nfs/dbraw/zinc/36/94/22/173369422.db2.gz IEQRTCYLETXMLI-QMMMGPOBSA-N 2 1 210.243 1.480 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224611791 173371205 /nfs/dbraw/zinc/37/12/05/173371205.db2.gz JBOATPLUCWCLGO-QWRGUYRKSA-N 2 1 214.378 1.281 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)nc2)C1 ZINC000228858202 173378948 /nfs/dbraw/zinc/37/89/48/173378948.db2.gz OYIKXMWXNNUYIM-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000228858202 173378950 /nfs/dbraw/zinc/37/89/50/173378950.db2.gz OYIKXMWXNNUYIM-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000040592205 173379382 /nfs/dbraw/zinc/37/93/82/173379382.db2.gz RQXBETJPDOBZKI-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000040592205 173379383 /nfs/dbraw/zinc/37/93/83/173379383.db2.gz RQXBETJPDOBZKI-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP COCC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336716997 174071964 /nfs/dbraw/zinc/07/19/64/174071964.db2.gz QHEPNSRCYYKRPM-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000309461459 174178355 /nfs/dbraw/zinc/17/83/55/174178355.db2.gz OXXHKGYWYHDTIC-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122628951 174185037 /nfs/dbraw/zinc/18/50/37/174185037.db2.gz HTXPEDPJUIYREN-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377387930 174192927 /nfs/dbraw/zinc/19/29/27/174192927.db2.gz CEGLWWKBMAFZQT-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP COCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000120412338 174215181 /nfs/dbraw/zinc/21/51/81/174215181.db2.gz PQHRIOBGLPBQLR-UHFFFAOYSA-N 2 1 214.353 1.441 20 0 BDADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309635786 174250568 /nfs/dbraw/zinc/25/05/68/174250568.db2.gz JKVPXHUFCBPUPH-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccn(C)c1 ZINC000123211362 174275182 /nfs/dbraw/zinc/27/51/82/174275182.db2.gz KJKOHWHQDHUQLH-UHFFFAOYSA-N 2 1 239.363 1.083 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1C ZINC000309036355 174275803 /nfs/dbraw/zinc/27/58/03/174275803.db2.gz IJUQWDSEHOUDRV-RYUDHWBXSA-N 2 1 214.353 1.200 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC(C)(C)OC)CC1 ZINC000358197801 174305256 /nfs/dbraw/zinc/30/52/56/174305256.db2.gz GLLFQKOAWMHERN-UHFFFAOYSA-N 2 1 244.379 1.112 20 0 BDADMP COCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989645 174308402 /nfs/dbraw/zinc/30/84/02/174308402.db2.gz LMVUKXXVHIGYPR-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000126888538 175327093 /nfs/dbraw/zinc/32/70/93/175327093.db2.gz GEJBXUYNUIHZTO-RYUDHWBXSA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@]1(C)CCCO1 ZINC000309427432 175860658 /nfs/dbraw/zinc/86/06/58/175860658.db2.gz AXIVSYCWNMLWNJ-YPMHNXCESA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H](c1cccc(O)c1)[N@@H+](C)CCOCC[NH3+] ZINC000357083095 176018854 /nfs/dbraw/zinc/01/88/54/176018854.db2.gz INAQATLYZFHDPU-NSHDSACASA-N 2 1 238.331 1.360 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256735 176027825 /nfs/dbraw/zinc/02/78/25/176027825.db2.gz CCRHYKVWDFJYEC-QWRGUYRKSA-N 2 1 205.305 1.423 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122318260 176030907 /nfs/dbraw/zinc/03/09/07/176030907.db2.gz WYJDESBQTYMWOO-GRYCIOLGSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCNC1CC[NH2+]CC1 ZINC000038040545 176071380 /nfs/dbraw/zinc/07/13/80/176071380.db2.gz SPTMIHQLYFZYMV-CYBMUJFWSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336666555 176132078 /nfs/dbraw/zinc/13/20/78/176132078.db2.gz PVECANOFXZASRW-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336666555 176132081 /nfs/dbraw/zinc/13/20/81/176132081.db2.gz PVECANOFXZASRW-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336665851 176150825 /nfs/dbraw/zinc/15/08/25/176150825.db2.gz PVECANOFXZASRW-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336665851 176150827 /nfs/dbraw/zinc/15/08/27/176150827.db2.gz PVECANOFXZASRW-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCCOC1 ZINC000336688417 176268594 /nfs/dbraw/zinc/26/85/94/176268594.db2.gz HFKHBHSQBXIUCL-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCCOC1 ZINC000336688417 176268595 /nfs/dbraw/zinc/26/85/95/176268595.db2.gz HFKHBHSQBXIUCL-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000336688417 176268596 /nfs/dbraw/zinc/26/85/96/176268596.db2.gz HFKHBHSQBXIUCL-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000336688417 176268597 /nfs/dbraw/zinc/26/85/97/176268597.db2.gz HFKHBHSQBXIUCL-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309100719 176268899 /nfs/dbraw/zinc/26/88/99/176268899.db2.gz FOSWSSSKCRLGAS-PSASIEDQSA-N 2 1 218.291 1.714 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309100719 176268900 /nfs/dbraw/zinc/26/89/00/176268900.db2.gz FOSWSSSKCRLGAS-PSASIEDQSA-N 2 1 218.291 1.714 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCCC[NH+]1CCCC1 ZINC000336775793 176277464 /nfs/dbraw/zinc/27/74/64/176277464.db2.gz CSFAFHIOJIJHDV-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000336775793 176277465 /nfs/dbraw/zinc/27/74/65/176277465.db2.gz CSFAFHIOJIJHDV-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(C)(C)O ZINC000336680926 176278171 /nfs/dbraw/zinc/27/81/71/176278171.db2.gz XVHATPDBINZPTJ-UTUOFQBUSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159184 176278914 /nfs/dbraw/zinc/27/89/14/176278914.db2.gz UWIPOCBEIDRAGZ-WZRBSPASSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159184 176278915 /nfs/dbraw/zinc/27/89/15/176278915.db2.gz UWIPOCBEIDRAGZ-WZRBSPASSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC(C)(C)[NH+](C)C ZINC000036908113 176279209 /nfs/dbraw/zinc/27/92/09/176279209.db2.gz DZOSUHWCFLDIIK-JHJVBQTASA-N 2 1 241.423 1.645 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000036908245 176279220 /nfs/dbraw/zinc/27/92/20/176279220.db2.gz JUDJIKLDQGSGHR-BZPMIXESSA-N 2 1 233.359 1.900 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000036908245 176279221 /nfs/dbraw/zinc/27/92/21/176279221.db2.gz JUDJIKLDQGSGHR-BZPMIXESSA-N 2 1 233.359 1.900 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000300412670 176279415 /nfs/dbraw/zinc/27/94/15/176279415.db2.gz UXMYIHMHGIMOHV-JHJVBQTASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000042815575 176279638 /nfs/dbraw/zinc/27/96/38/176279638.db2.gz LKQWPZJICNIJLN-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000036907949 176279641 /nfs/dbraw/zinc/27/96/41/176279641.db2.gz DMPKCBRDQSIQEM-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159189 176280651 /nfs/dbraw/zinc/28/06/51/176280651.db2.gz UWIPOCBEIDRAGZ-NQBHXWOUSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159189 176280653 /nfs/dbraw/zinc/28/06/53/176280653.db2.gz UWIPOCBEIDRAGZ-NQBHXWOUSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000158511772 176280847 /nfs/dbraw/zinc/28/08/47/176280847.db2.gz ZFCBOZLCYLJTHN-YRGRVCCFSA-N 2 1 235.375 1.843 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1CO ZINC000362069875 176292925 /nfs/dbraw/zinc/29/29/25/176292925.db2.gz FXHFKHAZYMAUKK-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1CO ZINC000362069875 176292927 /nfs/dbraw/zinc/29/29/27/176292927.db2.gz FXHFKHAZYMAUKK-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1CO ZINC000362069875 176292929 /nfs/dbraw/zinc/29/29/29/176292929.db2.gz FXHFKHAZYMAUKK-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000220972588 176298819 /nfs/dbraw/zinc/29/88/19/176298819.db2.gz MZPWLMOHSKYRQO-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1CO ZINC000362069874 176293768 /nfs/dbraw/zinc/29/37/68/176293768.db2.gz FXHFKHAZYMAUKK-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1CO ZINC000362069874 176293769 /nfs/dbraw/zinc/29/37/69/176293769.db2.gz FXHFKHAZYMAUKK-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1CO ZINC000362069874 176293770 /nfs/dbraw/zinc/29/37/70/176293770.db2.gz FXHFKHAZYMAUKK-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1N(C)C ZINC000122317747 176293812 /nfs/dbraw/zinc/29/38/12/176293812.db2.gz RBFYVLGVORSIME-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000309499462 176295241 /nfs/dbraw/zinc/29/52/41/176295241.db2.gz ZTCUBJZHIQNHBI-WZRBSPASSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000309499462 176295243 /nfs/dbraw/zinc/29/52/43/176295243.db2.gz ZTCUBJZHIQNHBI-WZRBSPASSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)C[C@@]1(C)C[NH3+] ZINC000310353434 176305488 /nfs/dbraw/zinc/30/54/88/176305488.db2.gz HPBIGPAZBHINPI-BXUZGUMPSA-N 2 1 234.343 1.809 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC1CC[NH2+]CC1 ZINC000094460814 176322626 /nfs/dbraw/zinc/32/26/26/176322626.db2.gz YHTJBSHFGLLJNU-TZMCWYRMSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000335603233 176342679 /nfs/dbraw/zinc/34/26/79/176342679.db2.gz YFSMIQMZPIOKNR-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304370211 176354009 /nfs/dbraw/zinc/35/40/09/176354009.db2.gz FVGHEBHJPFAQHY-NDBYEHHHSA-N 2 1 240.416 1.954 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334141053 176367691 /nfs/dbraw/zinc/36/76/91/176367691.db2.gz DOQIKTSGDHRSQX-PWSUYJOCSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccccc1 ZINC000042896798 176370543 /nfs/dbraw/zinc/37/05/43/176370543.db2.gz DQPXIWALSRBRSJ-OLZOCXBDSA-N 2 1 234.343 1.877 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@@H]1C ZINC000309093027 176375709 /nfs/dbraw/zinc/37/57/09/176375709.db2.gz BWFGOBDUUKZOTJ-NQBHXWOUSA-N 2 1 208.349 1.882 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccnc2)CC[N@H+]1C ZINC000130003483 176376548 /nfs/dbraw/zinc/37/65/48/176376548.db2.gz WYNUODVGAAGAPC-OCCSQVGLSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000309141588 176396449 /nfs/dbraw/zinc/39/64/49/176396449.db2.gz TYPJUCIIGDKYEH-GRYCIOLGSA-N 2 1 208.349 1.716 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000234703673 487634321 /nfs/dbraw/zinc/63/43/21/487634321.db2.gz OAGRMNYCUIQDQG-MNOVXSKESA-N 2 1 200.326 1.001 20 0 BDADMP C[C@H](c1ccccc1F)[N@@H+](C)CCOCC[NH3+] ZINC000093232476 177041203 /nfs/dbraw/zinc/04/12/03/177041203.db2.gz MAGXZXFQBJYVEC-LLVKDONJSA-N 2 1 240.322 1.794 20 0 BDADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358247564 177118440 /nfs/dbraw/zinc/11/84/40/177118440.db2.gz IAQWJOLNBKWICI-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358247564 177118442 /nfs/dbraw/zinc/11/84/42/177118442.db2.gz IAQWJOLNBKWICI-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+](C)CCC[NH+]2CCCC2)O1 ZINC000337217561 177201113 /nfs/dbraw/zinc/20/11/13/177201113.db2.gz INRBZFHGWUCPQU-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+](C)CCC[NH+]2CCCC2)O1 ZINC000337217561 177201115 /nfs/dbraw/zinc/20/11/15/177201115.db2.gz INRBZFHGWUCPQU-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352902878 177242147 /nfs/dbraw/zinc/24/21/47/177242147.db2.gz SPFLNQHMZATZCE-SCRDCRAPSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000352902878 177242148 /nfs/dbraw/zinc/24/21/48/177242148.db2.gz SPFLNQHMZATZCE-SCRDCRAPSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000336700040 177242673 /nfs/dbraw/zinc/24/26/73/177242673.db2.gz NFVYCKYHUCOVHA-LOWVWBTDSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336700040 177242674 /nfs/dbraw/zinc/24/26/74/177242674.db2.gz NFVYCKYHUCOVHA-LOWVWBTDSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051918903 177254382 /nfs/dbraw/zinc/25/43/82/177254382.db2.gz GWYJDDLMWLDDIN-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cccs2)CC[C@@H]1[NH3+] ZINC000049712288 177256666 /nfs/dbraw/zinc/25/66/66/177256666.db2.gz VPECSFKSULBOID-JQWIXIFHSA-N 2 1 224.373 1.960 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000340670954 177257516 /nfs/dbraw/zinc/25/75/16/177257516.db2.gz HHHQQHYETUHBFH-MBNYWOFBSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000251553466 177266520 /nfs/dbraw/zinc/26/65/20/177266520.db2.gz BITNBYGBEBTVFI-CMPLNLGQSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000251553466 177266522 /nfs/dbraw/zinc/26/65/22/177266522.db2.gz BITNBYGBEBTVFI-CMPLNLGQSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1COCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336453309 177288829 /nfs/dbraw/zinc/28/88/29/177288829.db2.gz JMMOBBXRSYFFOS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1COCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336453309 177288830 /nfs/dbraw/zinc/28/88/30/177288830.db2.gz JMMOBBXRSYFFOS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1COCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336453309 177288832 /nfs/dbraw/zinc/28/88/32/177288832.db2.gz JMMOBBXRSYFFOS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)CC[N@H+]1C ZINC000222242813 177330383 /nfs/dbraw/zinc/33/03/83/177330383.db2.gz MBPKNPFCLNISKO-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCC2)CC[N@H+]1C ZINC000358314111 177331076 /nfs/dbraw/zinc/33/10/76/177331076.db2.gz FAMIASFSXBLLBT-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159191 177334027 /nfs/dbraw/zinc/33/40/27/177334027.db2.gz UWIPOCBEIDRAGZ-NTZNESFSSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159191 177334029 /nfs/dbraw/zinc/33/40/29/177334029.db2.gz UWIPOCBEIDRAGZ-NTZNESFSSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1F ZINC000122305670 177361994 /nfs/dbraw/zinc/36/19/94/177361994.db2.gz RTTHBULMCQWFEZ-WDEREUQCSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[C@H](N(C)Cc2cccn2C)CC[N@H+]1C ZINC000093644982 177364922 /nfs/dbraw/zinc/36/49/22/177364922.db2.gz OXZREWARIPNRNU-QWHCGFSZSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356255 177369678 /nfs/dbraw/zinc/36/96/78/177369678.db2.gz DZTXOPYLKIFFRG-WCQYABFASA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1ccnc1 ZINC000041119540 177370439 /nfs/dbraw/zinc/37/04/39/177370439.db2.gz QNZZIYSCIVTMEZ-AGIUHOORSA-N 2 1 236.363 1.201 20 0 BDADMP C[C@H]1N(CC[C@H]2CCC[N@H+]2C)CCOC1(C)C ZINC000336552014 177392809 /nfs/dbraw/zinc/39/28/09/177392809.db2.gz DHNUPDWSHSBJEI-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000038121891 487641528 /nfs/dbraw/zinc/64/15/28/487641528.db2.gz OETSUEPUZBUCJR-UHFFFAOYSA-N 2 1 228.380 1.469 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000328276575 487641800 /nfs/dbraw/zinc/64/18/00/487641800.db2.gz QWUHCPJUENBEAU-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000328276575 487641806 /nfs/dbraw/zinc/64/18/06/487641806.db2.gz QWUHCPJUENBEAU-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000328276575 487641812 /nfs/dbraw/zinc/64/18/12/487641812.db2.gz QWUHCPJUENBEAU-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP Cc1cc(CO)cc(N2CCC([NH+](C)C)CC2)[nH+]1 ZINC000228447153 487644062 /nfs/dbraw/zinc/64/40/62/487644062.db2.gz KENQABWRKWCSAJ-UHFFFAOYSA-N 2 1 249.358 1.413 20 0 BDADMP C[C@H]1C[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000488333624 225376218 /nfs/dbraw/zinc/37/62/18/225376218.db2.gz OUBMOWAWBDDWAS-AAEUAGOBSA-N 2 1 210.365 1.916 20 0 BDADMP Cc1ccccc1OCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000507327744 226368625 /nfs/dbraw/zinc/36/86/25/226368625.db2.gz DJHPBCFSCOFRHF-CYBMUJFWSA-N 2 1 234.343 1.715 20 0 BDADMP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000507565939 226369998 /nfs/dbraw/zinc/36/99/98/226369998.db2.gz KHDULQGQHVYVIP-LLVKDONJSA-N 2 1 236.363 1.035 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226032729 487654274 /nfs/dbraw/zinc/65/42/74/487654274.db2.gz UKGVPPQRLZFALZ-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000383730594 487669120 /nfs/dbraw/zinc/66/91/20/487669120.db2.gz GXJQXRSTCRLFRZ-ZIAGYGMSSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000383730594 487669121 /nfs/dbraw/zinc/66/91/21/487669121.db2.gz GXJQXRSTCRLFRZ-ZIAGYGMSSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000383730594 487669124 /nfs/dbraw/zinc/66/91/24/487669124.db2.gz GXJQXRSTCRLFRZ-ZIAGYGMSSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1[NH2+]CCN(CCCc2c[nH+]cn2C)[C@H]1C ZINC000313863009 487675208 /nfs/dbraw/zinc/67/52/08/487675208.db2.gz ARIRLPWVTQHFOR-RYUDHWBXSA-N 2 1 236.363 1.035 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000383926244 487681993 /nfs/dbraw/zinc/68/19/93/487681993.db2.gz DSRQGENTWMCAQP-IHRRRGAJSA-N 2 1 242.407 1.950 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000228620335 487693908 /nfs/dbraw/zinc/69/39/08/487693908.db2.gz AJRHQIUZUHXYNZ-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP [NH3+]CCCCCC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932444 584824914 /nfs/dbraw/zinc/82/49/14/584824914.db2.gz RMAMLJNCXOEOCT-SECBINFHSA-N 3 1 223.311 1.078 20 0 BDADMP CC[N@H+](CCC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000379462124 487734489 /nfs/dbraw/zinc/73/44/89/487734489.db2.gz UFGILJGLDBETON-SECBINFHSA-N 2 1 224.270 1.870 20 0 BDADMP CC[N@@H+](CCC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000379462124 487734495 /nfs/dbraw/zinc/73/44/95/487734495.db2.gz UFGILJGLDBETON-SECBINFHSA-N 2 1 224.270 1.870 20 0 BDADMP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000385254505 487777461 /nfs/dbraw/zinc/77/74/61/487777461.db2.gz SILRHOCZGLMJME-KBPBESRZSA-N 2 1 248.374 1.464 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000385254505 487777463 /nfs/dbraw/zinc/77/74/63/487777463.db2.gz SILRHOCZGLMJME-KBPBESRZSA-N 2 1 248.374 1.464 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOC(C)C)CC[C@H]1[NH3+] ZINC000251645159 487780929 /nfs/dbraw/zinc/78/09/29/487780929.db2.gz GEUNXQUJZSVHMC-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675901423 487785317 /nfs/dbraw/zinc/78/53/17/487785317.db2.gz GCYYUARVGOZCBH-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675901423 487785322 /nfs/dbraw/zinc/78/53/22/487785322.db2.gz GCYYUARVGOZCBH-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+](CCCC[NH2+]Cc1cn[nH]c1)C1CC1 ZINC000651600478 487797600 /nfs/dbraw/zinc/79/76/00/487797600.db2.gz FWMGTUGDEFLQKY-UHFFFAOYSA-N 2 1 222.336 1.374 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ncc[nH]1 ZINC000414189216 487797773 /nfs/dbraw/zinc/79/77/73/487797773.db2.gz QQNIGMCLKKBXQO-VXGBXAGGSA-N 2 1 236.363 1.792 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000414735615 487820077 /nfs/dbraw/zinc/82/00/77/487820077.db2.gz FWHVYGMQDGDRSA-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1CCC[NH3+] ZINC000414757574 487821018 /nfs/dbraw/zinc/82/10/18/487821018.db2.gz LJELVOXNQUQKOQ-RKDXNWHRSA-N 2 1 224.270 1.998 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1scnc1C1CC1 ZINC000414837261 487826413 /nfs/dbraw/zinc/82/64/13/487826413.db2.gz JJEUNKVSHIYGGP-VIFPVBQESA-N 2 1 239.388 1.966 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000224290820 487828655 /nfs/dbraw/zinc/82/86/55/487828655.db2.gz USLRSYUIMLQUQH-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000252683603 487829570 /nfs/dbraw/zinc/82/95/70/487829570.db2.gz DYHAABCEJSMVPF-RFGFWPKPSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000252683603 487829574 /nfs/dbraw/zinc/82/95/74/487829574.db2.gz DYHAABCEJSMVPF-RFGFWPKPSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H](NCCCCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000843343680 588101651 /nfs/dbraw/zinc/10/16/51/588101651.db2.gz CUAUAWJLSIMVAO-RYUDHWBXSA-N 2 1 213.369 1.236 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666699881 487863095 /nfs/dbraw/zinc/86/30/95/487863095.db2.gz BWEBPEGPQDSMNZ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000666770574 487876568 /nfs/dbraw/zinc/87/65/68/487876568.db2.gz KBLNUDZWHQTQFK-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH2+]C)C1(C)C ZINC000233745583 642690472 /nfs/dbraw/zinc/69/04/72/642690472.db2.gz BRAMVPZFBGCDJT-GMTAPVOTSA-N 2 1 214.353 1.388 20 0 BDADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000666783288 487879630 /nfs/dbraw/zinc/87/96/30/487879630.db2.gz WRTDQHGMRUHTFM-STQMWFEESA-N 2 1 246.354 1.894 20 0 BDADMP C[C@@H]1COCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000682029261 487883555 /nfs/dbraw/zinc/88/35/55/487883555.db2.gz UBWJKJZNSRGEOL-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H]1COCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000682029261 487883557 /nfs/dbraw/zinc/88/35/57/487883557.db2.gz UBWJKJZNSRGEOL-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc2c(s1)CCC2 ZINC000666832341 487888472 /nfs/dbraw/zinc/88/84/72/487888472.db2.gz MOAKHYBZSPNYDL-QMMMGPOBSA-N 2 1 225.361 1.459 20 0 BDADMP COc1cc(C)nc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666856450 487891173 /nfs/dbraw/zinc/89/11/73/487891173.db2.gz ISQNFHAIXPCJRI-LBPRGKRZSA-N 2 1 249.358 1.630 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857764 487892199 /nfs/dbraw/zinc/89/21/99/487892199.db2.gz IIJDIUJFZPQFGC-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857764 487892204 /nfs/dbraw/zinc/89/22/04/487892204.db2.gz IIJDIUJFZPQFGC-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857764 487892209 /nfs/dbraw/zinc/89/22/09/487892209.db2.gz IIJDIUJFZPQFGC-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000666968925 487921306 /nfs/dbraw/zinc/92/13/06/487921306.db2.gz IUKNPEGKHGIPIR-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+](Cc1ccccc1C1CC1)C[C@H](O)C[NH3+] ZINC000666988628 487922244 /nfs/dbraw/zinc/92/22/44/487922244.db2.gz BLHPPZRMELTXPV-CYBMUJFWSA-N 2 1 234.343 1.315 20 0 BDADMP C[N@H+](C[C@H](O)C[NH3+])CC(C)(C)c1ccccc1 ZINC000666988635 487922608 /nfs/dbraw/zinc/92/26/08/487922608.db2.gz GGLHBYUWHNOXSA-CYBMUJFWSA-N 2 1 236.359 1.216 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])CC(C)(C)c1ccccc1 ZINC000666988635 487922610 /nfs/dbraw/zinc/92/26/10/487922610.db2.gz GGLHBYUWHNOXSA-CYBMUJFWSA-N 2 1 236.359 1.216 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@@H]1C ZINC000381101000 487930900 /nfs/dbraw/zinc/93/09/00/487930900.db2.gz XVRYJCMNNHOKJT-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000381101000 487930904 /nfs/dbraw/zinc/93/09/04/487930904.db2.gz XVRYJCMNNHOKJT-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000381101000 487930916 /nfs/dbraw/zinc/93/09/16/487930916.db2.gz XVRYJCMNNHOKJT-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)O[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000404774293 487933008 /nfs/dbraw/zinc/93/30/08/487933008.db2.gz NUXZXEXLFMNZQF-LLVKDONJSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000404774293 487933011 /nfs/dbraw/zinc/93/30/11/487933011.db2.gz NUXZXEXLFMNZQF-LLVKDONJSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000562956371 323034855 /nfs/dbraw/zinc/03/48/55/323034855.db2.gz QJUGGMPTYPMHAM-OLZOCXBDSA-N 3 1 227.396 1.482 20 0 BDADMP CC(C)[N@H+](CCO)CCCc1c[nH+]cn1C ZINC000313840688 323080363 /nfs/dbraw/zinc/08/03/63/323080363.db2.gz ANASLFOHLINMFB-UHFFFAOYSA-N 2 1 225.336 1.055 20 0 BDADMP CC(C)[N@@H+](CCO)CCCc1c[nH+]cn1C ZINC000313840688 323080364 /nfs/dbraw/zinc/08/03/64/323080364.db2.gz ANASLFOHLINMFB-UHFFFAOYSA-N 2 1 225.336 1.055 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000563135460 323094577 /nfs/dbraw/zinc/09/45/77/323094577.db2.gz MNZCUBZRXPUVHC-LBPRGKRZSA-N 2 1 205.305 1.220 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@H+]1C ZINC000563154162 323095753 /nfs/dbraw/zinc/09/57/53/323095753.db2.gz PVMGZFORPFZWFD-SWLSCSKDSA-N 3 1 247.386 1.718 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCN1C ZINC000563154162 323095754 /nfs/dbraw/zinc/09/57/54/323095754.db2.gz PVMGZFORPFZWFD-SWLSCSKDSA-N 2 1 247.386 1.718 20 0 BDADMP C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000563154162 323095755 /nfs/dbraw/zinc/09/57/55/323095755.db2.gz PVMGZFORPFZWFD-SWLSCSKDSA-N 2 1 247.386 1.718 20 0 BDADMP C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[N@H+]1C ZINC000563154162 323095756 /nfs/dbraw/zinc/09/57/56/323095756.db2.gz PVMGZFORPFZWFD-SWLSCSKDSA-N 2 1 247.386 1.718 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CC[N@H+]1C ZINC000563154161 323095767 /nfs/dbraw/zinc/09/57/67/323095767.db2.gz PVMGZFORPFZWFD-IUODEOHRSA-N 3 1 247.386 1.718 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCN1C ZINC000563154161 323095768 /nfs/dbraw/zinc/09/57/68/323095768.db2.gz PVMGZFORPFZWFD-IUODEOHRSA-N 2 1 247.386 1.718 20 0 BDADMP C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000563154161 323095769 /nfs/dbraw/zinc/09/57/69/323095769.db2.gz PVMGZFORPFZWFD-IUODEOHRSA-N 2 1 247.386 1.718 20 0 BDADMP C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[N@H+]1C ZINC000563154161 323095770 /nfs/dbraw/zinc/09/57/70/323095770.db2.gz PVMGZFORPFZWFD-IUODEOHRSA-N 2 1 247.386 1.718 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+]C1(CO)CCCC1 ZINC000313949477 323104559 /nfs/dbraw/zinc/10/45/59/323104559.db2.gz BXTDGCKPUMJBAG-UHFFFAOYSA-N 2 1 237.347 1.247 20 0 BDADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000401833899 323127833 /nfs/dbraw/zinc/12/78/33/323127833.db2.gz HGSSUDWLJKXRTK-DGCLKSJQSA-N 2 1 237.347 1.367 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163554405 323145108 /nfs/dbraw/zinc/14/51/08/323145108.db2.gz LCXXFTUKXPZAJV-XQHKEYJVSA-N 2 1 226.364 1.328 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000535034730 323164196 /nfs/dbraw/zinc/16/41/96/323164196.db2.gz IYMILHFVEQFJQK-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1ccn(C)n1)CC[NH2+]CC2 ZINC000563803757 323178369 /nfs/dbraw/zinc/17/83/69/323178369.db2.gz ALYHEFRUOBGLIF-LBPRGKRZSA-N 2 1 248.374 1.384 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000309025128 323194317 /nfs/dbraw/zinc/19/43/17/323194317.db2.gz XMBYGWPOENSTMT-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000309025128 323194318 /nfs/dbraw/zinc/19/43/18/323194318.db2.gz XMBYGWPOENSTMT-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000309025128 323194319 /nfs/dbraw/zinc/19/43/19/323194319.db2.gz XMBYGWPOENSTMT-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000309025128 323194320 /nfs/dbraw/zinc/19/43/20/323194320.db2.gz XMBYGWPOENSTMT-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CSC ZINC000309301265 323341738 /nfs/dbraw/zinc/34/17/38/323341738.db2.gz YJPSCZZXOXPBHN-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CSC ZINC000309301265 323341743 /nfs/dbraw/zinc/34/17/43/323341743.db2.gz YJPSCZZXOXPBHN-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CSC ZINC000309301265 323341747 /nfs/dbraw/zinc/34/17/47/323341747.db2.gz YJPSCZZXOXPBHN-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CSC ZINC000309301265 323341748 /nfs/dbraw/zinc/34/17/48/323341748.db2.gz YJPSCZZXOXPBHN-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000396623820 323393988 /nfs/dbraw/zinc/39/39/88/323393988.db2.gz VTPQKXJLKTUOBF-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527855758 323710053 /nfs/dbraw/zinc/71/00/53/323710053.db2.gz OATVGQYTZQFRJV-PWSUYJOCSA-N 2 1 219.332 1.970 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)CC1 ZINC000528005450 323746200 /nfs/dbraw/zinc/74/62/00/323746200.db2.gz SYWTXKATXSYESK-MNXVOIDGSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@H]1C[N@@H+](CCCn2ccnc2)CC[C@H]1C ZINC000189274705 324193949 /nfs/dbraw/zinc/19/39/49/324193949.db2.gz WKVXCOVZAVHAGH-OLZOCXBDSA-N 2 1 237.347 1.630 20 0 BDADMP Cc1ncccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000530218883 324537055 /nfs/dbraw/zinc/53/70/55/324537055.db2.gz HWLWRZWWMYDSAM-SNVBAGLBSA-N 2 1 205.305 1.088 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000653558254 487965057 /nfs/dbraw/zinc/96/50/57/487965057.db2.gz YREHWHGXANOZKT-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CCC1 ZINC000653558254 487965062 /nfs/dbraw/zinc/96/50/62/487965062.db2.gz YREHWHGXANOZKT-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)C1CCC1 ZINC000653558254 487965068 /nfs/dbraw/zinc/96/50/68/487965068.db2.gz YREHWHGXANOZKT-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C1CCC1 ZINC000653558254 487965075 /nfs/dbraw/zinc/96/50/75/487965075.db2.gz YREHWHGXANOZKT-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CCc1cc(NCC[NH2+]C(C)(C)C)nc(C)[nH+]1 ZINC000542019073 325004541 /nfs/dbraw/zinc/00/45/41/325004541.db2.gz FPZKNDHOELUQDY-UHFFFAOYSA-N 2 1 236.363 1.569 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000131433824 325150918 /nfs/dbraw/zinc/15/09/18/325150918.db2.gz XQGXQJJOGDMHOE-AWEZNQCLSA-N 2 1 236.359 1.397 20 0 BDADMP COC[C@H](C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000564316743 325340575 /nfs/dbraw/zinc/34/05/75/325340575.db2.gz WSXVDIKTBQKAON-HABKJSAYSA-N 2 1 240.391 1.826 20 0 BDADMP COC[C@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000564316743 325340577 /nfs/dbraw/zinc/34/05/77/325340577.db2.gz WSXVDIKTBQKAON-HABKJSAYSA-N 2 1 240.391 1.826 20 0 BDADMP COC[C@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000564316743 325340580 /nfs/dbraw/zinc/34/05/80/325340580.db2.gz WSXVDIKTBQKAON-HABKJSAYSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000158638467 487969727 /nfs/dbraw/zinc/96/97/27/487969727.db2.gz SDNZJSOSCWOWPP-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000566352133 326036195 /nfs/dbraw/zinc/03/61/95/326036195.db2.gz XGEMUSPXBHNWGT-ZIAGYGMSSA-N 2 1 242.407 1.715 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566480976 326055875 /nfs/dbraw/zinc/05/58/75/326055875.db2.gz CXZWEHAVMWVGAI-RWMBFGLXSA-N 2 1 227.396 1.575 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(O)c1 ZINC000567456511 326195788 /nfs/dbraw/zinc/19/57/88/326195788.db2.gz SOMGXFXOIKLUJB-LBPRGKRZSA-N 2 1 234.343 1.824 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC000567471893 326199724 /nfs/dbraw/zinc/19/97/24/326199724.db2.gz VMQCCWVHSBZVJZ-PRULPYPASA-N 2 1 226.364 1.530 20 0 BDADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000567654311 326239378 /nfs/dbraw/zinc/23/93/78/326239378.db2.gz XVESFSVTBMBPMV-RYUDHWBXSA-N 2 1 224.348 1.287 20 0 BDADMP C[N@@H+](CCCC[NH2+]CC1(O)CCC1)C1CC1 ZINC000567697136 326247346 /nfs/dbraw/zinc/24/73/46/326247346.db2.gz PRWFONHBOJXLKE-UHFFFAOYSA-N 2 1 226.364 1.365 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000567837948 326266999 /nfs/dbraw/zinc/26/69/99/326266999.db2.gz DOSGOMTYFMKLFW-NWDGAFQWSA-N 2 1 241.379 1.103 20 0 BDADMP C[N@H+](CCc1cnccn1)CCC1CC[NH2+]CC1 ZINC000567899513 326279905 /nfs/dbraw/zinc/27/99/05/326279905.db2.gz ASUSSFXLFTWVQV-UHFFFAOYSA-N 2 1 248.374 1.341 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000313894571 326285371 /nfs/dbraw/zinc/28/53/71/326285371.db2.gz PZYQNQNULWFHAJ-IACUBPJLSA-N 2 1 249.358 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000313894571 326285372 /nfs/dbraw/zinc/28/53/72/326285372.db2.gz PZYQNQNULWFHAJ-IACUBPJLSA-N 2 1 249.358 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CO)C(C)(C)C ZINC000314964545 326311735 /nfs/dbraw/zinc/31/17/35/326311735.db2.gz VUTVGRYQBCCCSN-LBPRGKRZSA-N 2 1 239.363 1.349 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000310410422 487981335 /nfs/dbraw/zinc/98/13/35/487981335.db2.gz OUFSUKIBVJBFSL-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000310410422 487981339 /nfs/dbraw/zinc/98/13/39/487981339.db2.gz OUFSUKIBVJBFSL-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000310410422 487981345 /nfs/dbraw/zinc/98/13/45/487981345.db2.gz OUFSUKIBVJBFSL-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCOC1 ZINC000134998770 488009779 /nfs/dbraw/zinc/00/97/79/488009779.db2.gz SCINXXIVEQDVRB-LLVKDONJSA-N 2 1 221.304 1.026 20 0 BDADMP CCC[C@@H]([NH3+])c1cn(CCn2cc[nH+]c2C)nn1 ZINC000229967672 488015768 /nfs/dbraw/zinc/01/57/68/488015768.db2.gz YSXWQXMLCSEUFE-LLVKDONJSA-N 2 1 248.334 1.283 20 0 BDADMP CC[C@H]1CO[C@H](C)CN1Cc1c[nH+]c(C)n1C ZINC000667475082 488020440 /nfs/dbraw/zinc/02/04/40/488020440.db2.gz CRCUPCVERQIWEZ-PWSUYJOCSA-N 2 1 237.347 1.728 20 0 BDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947003 488023653 /nfs/dbraw/zinc/02/36/53/488023653.db2.gz JMCCDHSNEDQKRE-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947003 488023658 /nfs/dbraw/zinc/02/36/58/488023658.db2.gz JMCCDHSNEDQKRE-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947003 488023661 /nfs/dbraw/zinc/02/36/61/488023661.db2.gz JMCCDHSNEDQKRE-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947003 488023667 /nfs/dbraw/zinc/02/36/67/488023667.db2.gz JMCCDHSNEDQKRE-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP CCc1nn(C)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000227549137 488028625 /nfs/dbraw/zinc/02/86/25/488028625.db2.gz UOASLMDXDNRQFT-UHFFFAOYSA-N 2 1 236.363 1.214 20 0 BDADMP CC(C)(C)OCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000682755517 488029516 /nfs/dbraw/zinc/02/95/16/488029516.db2.gz RVYIZYAWTASHEF-BETUJISGSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH+](C)C1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667516761 488037069 /nfs/dbraw/zinc/03/70/69/488037069.db2.gz HMLWJCLAKFSSFP-UHFFFAOYSA-N 2 1 248.374 1.355 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1F ZINC000166043828 488052520 /nfs/dbraw/zinc/05/25/20/488052520.db2.gz HSHPIGGBWBTOFF-JTQLQIEISA-N 2 1 238.306 1.615 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1F ZINC000166043828 488052526 /nfs/dbraw/zinc/05/25/26/488052526.db2.gz HSHPIGGBWBTOFF-JTQLQIEISA-N 2 1 238.306 1.615 20 0 BDADMP Cc1ncc(C[N@@H+]2CCSC[C@@H]2C)n1C ZINC000667635408 488065662 /nfs/dbraw/zinc/06/56/62/488065662.db2.gz ADJGUHVWZGBWTN-VIFPVBQESA-N 2 1 225.361 1.666 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC2(O)CCCC2)n1C ZINC000667650060 488073442 /nfs/dbraw/zinc/07/34/42/488073442.db2.gz KWNSEBDRUZJJRT-UHFFFAOYSA-N 2 1 237.347 1.465 20 0 BDADMP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000257664258 488078689 /nfs/dbraw/zinc/07/86/89/488078689.db2.gz WVKUNOWUSUAVRI-GHMZBOCLSA-N 2 1 220.320 1.775 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)C1(COC)CC1 ZINC000683141937 488118464 /nfs/dbraw/zinc/11/84/64/488118464.db2.gz RVVWGFUPJQERFB-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C1(COC)CC1 ZINC000683141937 488118466 /nfs/dbraw/zinc/11/84/66/488118466.db2.gz RVVWGFUPJQERFB-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403240766 488119071 /nfs/dbraw/zinc/11/90/71/488119071.db2.gz RALRTLSGMTUDLK-XQHKEYJVSA-N 2 1 208.349 1.703 20 0 BDADMP COc1cccc(C[NH2+][C@@H](C)CC[NH3+])c1F ZINC000397452189 488119670 /nfs/dbraw/zinc/11/96/70/488119670.db2.gz OGLNZTFATCKWBX-VIFPVBQESA-N 2 1 226.295 1.661 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667783729 488119942 /nfs/dbraw/zinc/11/99/42/488119942.db2.gz YFSNOUJMZSWSOG-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP C([C@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000403612011 488129619 /nfs/dbraw/zinc/12/96/19/488129619.db2.gz IZHZVKGDEOHWLQ-ZUWCUPBKSA-N 2 1 220.360 1.574 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000310543759 488130633 /nfs/dbraw/zinc/13/06/33/488130633.db2.gz RTEHVZZWIHTIRL-MCIONIFRSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000310543759 488130638 /nfs/dbraw/zinc/13/06/38/488130638.db2.gz RTEHVZZWIHTIRL-MCIONIFRSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000310543759 488130643 /nfs/dbraw/zinc/13/06/43/488130643.db2.gz RTEHVZZWIHTIRL-MCIONIFRSA-N 2 1 242.407 1.665 20 0 BDADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000571304305 487530091 /nfs/dbraw/zinc/53/00/91/487530091.db2.gz HUHJSKFCPDPVPU-VHDGCEQUSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000571304305 487530095 /nfs/dbraw/zinc/53/00/95/487530095.db2.gz HUHJSKFCPDPVPU-VHDGCEQUSA-N 2 1 248.370 1.792 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCOC1 ZINC000674301353 487552786 /nfs/dbraw/zinc/55/27/86/487552786.db2.gz ATRFVRKKGGZQGT-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCOC1 ZINC000674301353 487552787 /nfs/dbraw/zinc/55/27/87/487552787.db2.gz ATRFVRKKGGZQGT-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000674301353 487552791 /nfs/dbraw/zinc/55/27/91/487552791.db2.gz ATRFVRKKGGZQGT-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662236611 487470845 /nfs/dbraw/zinc/47/08/45/487470845.db2.gz FYSLKODCUGLFAO-MNOVXSKESA-N 2 1 248.317 1.342 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662236611 487470846 /nfs/dbraw/zinc/47/08/46/487470846.db2.gz FYSLKODCUGLFAO-MNOVXSKESA-N 2 1 248.317 1.342 20 0 BDADMP CC[N@@H+](CCN)CC[C@H]1CCCCO1 ZINC000231819221 487477178 /nfs/dbraw/zinc/47/71/78/487477178.db2.gz HJGZRILGLACZDP-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CC[N@H+](CC[NH3+])CC[C@H]1CCCCO1 ZINC000231819221 487477183 /nfs/dbraw/zinc/47/71/83/487477183.db2.gz HJGZRILGLACZDP-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CC[N@@H+](CC[NH3+])CC[C@H]1CCCCO1 ZINC000231819221 487477189 /nfs/dbraw/zinc/47/71/89/487477189.db2.gz HJGZRILGLACZDP-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559774717 487490286 /nfs/dbraw/zinc/49/02/86/487490286.db2.gz XQMVGLFANCUMMN-QEJZJMRPSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559774717 487490291 /nfs/dbraw/zinc/49/02/91/487490291.db2.gz XQMVGLFANCUMMN-QEJZJMRPSA-N 2 1 248.370 1.792 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000380976007 487492287 /nfs/dbraw/zinc/49/22/87/487492287.db2.gz BLDUSYGWDFCFBR-OLZOCXBDSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000380976007 487492291 /nfs/dbraw/zinc/49/22/91/487492291.db2.gz BLDUSYGWDFCFBR-OLZOCXBDSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000380976007 487492297 /nfs/dbraw/zinc/49/22/97/487492297.db2.gz BLDUSYGWDFCFBR-OLZOCXBDSA-N 2 1 230.396 1.808 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000381056775 487497513 /nfs/dbraw/zinc/49/75/13/487497513.db2.gz JMYHSNHFYMYERL-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000381056775 487497514 /nfs/dbraw/zinc/49/75/14/487497514.db2.gz JMYHSNHFYMYERL-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000381056775 487497516 /nfs/dbraw/zinc/49/75/16/487497516.db2.gz JMYHSNHFYMYERL-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC2(CCC2)C1 ZINC000381056775 487497518 /nfs/dbraw/zinc/49/75/18/487497518.db2.gz JMYHSNHFYMYERL-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000300146544 487502764 /nfs/dbraw/zinc/50/27/64/487502764.db2.gz XSQFNTZVWFAPIN-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000334439480 487515467 /nfs/dbraw/zinc/51/54/67/487515467.db2.gz KXVWZPONNOWDPE-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000334439480 487515470 /nfs/dbraw/zinc/51/54/70/487515470.db2.gz KXVWZPONNOWDPE-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP C[N@H+](CCO[C@@H]1CC1(F)F)[C@@H](C[NH3+])C1CC1 ZINC000662273312 487520685 /nfs/dbraw/zinc/52/06/85/487520685.db2.gz NVKJPBBXFIMPPX-VHSXEESVSA-N 2 1 234.290 1.080 20 0 BDADMP C[N@@H+](CCO[C@@H]1CC1(F)F)[C@@H](C[NH3+])C1CC1 ZINC000662273312 487520689 /nfs/dbraw/zinc/52/06/89/487520689.db2.gz NVKJPBBXFIMPPX-VHSXEESVSA-N 2 1 234.290 1.080 20 0 BDADMP CO[C@@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274605 487522770 /nfs/dbraw/zinc/52/27/70/487522770.db2.gz XULCCBXOFJYBSI-KBPBESRZSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274605 487522775 /nfs/dbraw/zinc/52/27/75/487522775.db2.gz XULCCBXOFJYBSI-KBPBESRZSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000662274658 487523825 /nfs/dbraw/zinc/52/38/25/487523825.db2.gz ZGCYBKBQOMCOSJ-WDEREUQCSA-N 2 1 248.317 1.614 20 0 BDADMP CC(C)C[NH2+]C1(CO)CC[NH+](C(C)C)CC1 ZINC000038121918 487683080 /nfs/dbraw/zinc/68/30/80/487683080.db2.gz SIAHFBLNWQUXNG-UHFFFAOYSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000310489542 488032951 /nfs/dbraw/zinc/03/29/51/488032951.db2.gz FPGXFQRPQBHHPO-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000310489542 488032960 /nfs/dbraw/zinc/03/29/60/488032960.db2.gz FPGXFQRPQBHHPO-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000310489542 488032966 /nfs/dbraw/zinc/03/29/66/488032966.db2.gz FPGXFQRPQBHHPO-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C ZINC000379894196 488154359 /nfs/dbraw/zinc/15/43/59/488154359.db2.gz BLHCZAIPLLPPFD-VXGBXAGGSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C ZINC000379894196 488154364 /nfs/dbraw/zinc/15/43/64/488154364.db2.gz BLHCZAIPLLPPFD-VXGBXAGGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000380108157 488173163 /nfs/dbraw/zinc/17/31/63/488173163.db2.gz YYJZNHYFYXOFGC-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CCCC1 ZINC000380108157 488173169 /nfs/dbraw/zinc/17/31/69/488173169.db2.gz YYJZNHYFYXOFGC-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC000380108157 488173172 /nfs/dbraw/zinc/17/31/72/488173172.db2.gz YYJZNHYFYXOFGC-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](C)CO)CC1 ZINC000678045529 488175003 /nfs/dbraw/zinc/17/50/03/488175003.db2.gz MXJYAOXXYZIQBO-ZDUSSCGKSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C[C@@H]1n1ccnc1 ZINC000678336761 488242210 /nfs/dbraw/zinc/24/22/10/488242210.db2.gz LKYTVCXUMXSIII-YPMHNXCESA-N 2 1 245.330 1.689 20 0 BDADMP c1cc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2[nH]1 ZINC000678342923 488243496 /nfs/dbraw/zinc/24/34/96/488243496.db2.gz HQCHLYCVBBIYAQ-OKILXGFUSA-N 2 1 241.338 1.819 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)CCN(C)C)C1CC[NH+](C)CC1 ZINC000049553832 488303920 /nfs/dbraw/zinc/30/39/20/488303920.db2.gz BRXAUJAPKFRAQY-QWHCGFSZSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679128212 488306699 /nfs/dbraw/zinc/30/66/99/488306699.db2.gz NCGSEAMVUAVTCP-QJPTWQEYSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679128212 488306702 /nfs/dbraw/zinc/30/67/02/488306702.db2.gz NCGSEAMVUAVTCP-QJPTWQEYSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000679332367 488340705 /nfs/dbraw/zinc/34/07/05/488340705.db2.gz VDOLWHZWOYQZRR-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340017 488341747 /nfs/dbraw/zinc/34/17/47/488341747.db2.gz MYYYOBLAOVTHAT-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000211960267 488354576 /nfs/dbraw/zinc/35/45/76/488354576.db2.gz FMCOJWQNBODXDX-GFCCVEGCSA-N 2 1 246.354 1.553 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000211960267 488354578 /nfs/dbraw/zinc/35/45/78/488354578.db2.gz FMCOJWQNBODXDX-GFCCVEGCSA-N 2 1 246.354 1.553 20 0 BDADMP CO[C@H](C)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000679851535 488368995 /nfs/dbraw/zinc/36/89/95/488368995.db2.gz SBDMNYUAYUJXQE-VXGBXAGGSA-N 2 1 223.320 1.555 20 0 BDADMP C1CC1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000651933875 490161430 /nfs/dbraw/zinc/16/14/30/490161430.db2.gz NUTKRAAUONTPNL-MCIONIFRSA-N 2 1 236.359 1.523 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000238383342 490227051 /nfs/dbraw/zinc/22/70/51/490227051.db2.gz VPYBCACWFKIVHG-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2cccc(N)c2)CC1 ZINC000107801928 490265818 /nfs/dbraw/zinc/26/58/18/490265818.db2.gz NYPCGEPCJIPOMX-UHFFFAOYSA-N 2 1 219.332 1.453 20 0 BDADMP CCO[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000220114105 491133210 /nfs/dbraw/zinc/13/32/10/491133210.db2.gz OBRHDRDNZWZBNG-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000220114105 491133211 /nfs/dbraw/zinc/13/32/11/491133211.db2.gz OBRHDRDNZWZBNG-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]CC1(C)CCC1 ZINC000309900837 491157927 /nfs/dbraw/zinc/15/79/27/491157927.db2.gz HNUQXXQPGZNDJE-UHFFFAOYSA-N 2 1 228.380 1.735 20 0 BDADMP C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000310107549 491160404 /nfs/dbraw/zinc/16/04/04/491160404.db2.gz PTAFYSNPRIRYRH-YPMHNXCESA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000310107549 491160405 /nfs/dbraw/zinc/16/04/05/491160405.db2.gz PTAFYSNPRIRYRH-YPMHNXCESA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000310107549 491160406 /nfs/dbraw/zinc/16/04/06/491160406.db2.gz PTAFYSNPRIRYRH-YPMHNXCESA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000310107549 491160407 /nfs/dbraw/zinc/16/04/07/491160407.db2.gz PTAFYSNPRIRYRH-YPMHNXCESA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]1 ZINC000400423717 533815092 /nfs/dbraw/zinc/81/50/92/533815092.db2.gz XVIDECCDWRZQPC-APYLGABCSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000309094692 533900711 /nfs/dbraw/zinc/90/07/11/533900711.db2.gz CJQGZCOSNSAITF-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000309094692 533900713 /nfs/dbraw/zinc/90/07/13/533900713.db2.gz CJQGZCOSNSAITF-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000221520153 535821995 /nfs/dbraw/zinc/82/19/95/535821995.db2.gz RVBYSIPYURROIG-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000336026836 536481844 /nfs/dbraw/zinc/48/18/44/536481844.db2.gz PXULCDCHORRDLP-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000336026836 536481846 /nfs/dbraw/zinc/48/18/46/536481846.db2.gz PXULCDCHORRDLP-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCOC1 ZINC000400624644 527482796 /nfs/dbraw/zinc/48/27/96/527482796.db2.gz NCRHGMZOTRMCQF-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335570843 536523998 /nfs/dbraw/zinc/52/39/98/536523998.db2.gz VTNYHRZSSFXXBT-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335570843 536524005 /nfs/dbraw/zinc/52/40/05/536524005.db2.gz VTNYHRZSSFXXBT-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335570843 536524009 /nfs/dbraw/zinc/52/40/09/536524009.db2.gz VTNYHRZSSFXXBT-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000400768826 528155731 /nfs/dbraw/zinc/15/57/31/528155731.db2.gz ZRPYUKRVAWMCPF-UTUOFQBUSA-N 2 1 214.353 1.532 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494310402 528261859 /nfs/dbraw/zinc/26/18/59/528261859.db2.gz KUYNWSVSLMTGFK-CYBMUJFWSA-N 2 1 242.407 1.981 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400331982 528865534 /nfs/dbraw/zinc/86/55/34/528865534.db2.gz DZFDJCBVUFUGPY-WCFLWFBJSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251318049 535038436 /nfs/dbraw/zinc/03/84/36/535038436.db2.gz LRJTWZTUJXHHKO-AVGNSLFASA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[S@@](C)=O)CC1 ZINC000164406818 535161548 /nfs/dbraw/zinc/16/15/48/535161548.db2.gz OJZLXLJGIQLWAP-ZBEGNZNMSA-N 2 1 246.420 1.216 20 0 BDADMP CC(C)[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000261797702 535238772 /nfs/dbraw/zinc/23/87/72/535238772.db2.gz GQNHUTZXLCIDQK-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000261797702 535238777 /nfs/dbraw/zinc/23/87/77/535238777.db2.gz GQNHUTZXLCIDQK-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000217722662 535301416 /nfs/dbraw/zinc/30/14/16/535301416.db2.gz YMMNEKXDEXDPPE-OLZOCXBDSA-N 2 1 227.396 1.435 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000071293028 535625911 /nfs/dbraw/zinc/62/59/11/535625911.db2.gz DVRCVAPCTSMABA-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000071293028 535625913 /nfs/dbraw/zinc/62/59/13/535625913.db2.gz DVRCVAPCTSMABA-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173891885 535649700 /nfs/dbraw/zinc/64/97/00/535649700.db2.gz WHBGWIDXMOTMQT-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173891885 535649692 /nfs/dbraw/zinc/64/96/92/535649692.db2.gz WHBGWIDXMOTMQT-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173891885 535649697 /nfs/dbraw/zinc/64/96/97/535649697.db2.gz WHBGWIDXMOTMQT-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173891885 535649699 /nfs/dbraw/zinc/64/96/99/535649699.db2.gz WHBGWIDXMOTMQT-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252865006 535684759 /nfs/dbraw/zinc/68/47/59/535684759.db2.gz POBWIWIYIVEXOM-SRVKXCTJSA-N 2 1 228.405 1.799 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712311 536098862 /nfs/dbraw/zinc/09/88/62/536098862.db2.gz MBCSGCSPYPEJHA-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252712311 536098857 /nfs/dbraw/zinc/09/88/57/536098857.db2.gz MBCSGCSPYPEJHA-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251117495 536123004 /nfs/dbraw/zinc/12/30/04/536123004.db2.gz VOHKMNDNLRWFMR-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP CCc1nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C)[nH+]1 ZINC000261579752 536125010 /nfs/dbraw/zinc/12/50/10/536125010.db2.gz PSKRJQZLANPHHO-VXGBXAGGSA-N 2 1 246.358 1.393 20 0 BDADMP CCc1nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)[nH+]1 ZINC000261575058 536125739 /nfs/dbraw/zinc/12/57/39/536125739.db2.gz MWXZSPZCWUTRNU-NEPJUHHUSA-N 2 1 246.358 1.536 20 0 BDADMP CCc1cc(N2CCC([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000302069878 536144434 /nfs/dbraw/zinc/14/44/34/536144434.db2.gz XWSRRYDWPTVOQV-UHFFFAOYSA-N 2 1 248.374 1.878 20 0 BDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261949769 536180911 /nfs/dbraw/zinc/18/09/11/536180911.db2.gz NUMDVJVFZGWIJA-ZDUSSCGKSA-N 2 1 239.407 1.387 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000222641087 536345156 /nfs/dbraw/zinc/34/51/56/536345156.db2.gz NPMNUNHTRXDBGI-QWHCGFSZSA-N 2 1 224.348 1.238 20 0 BDADMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000261557746 536897142 /nfs/dbraw/zinc/89/71/42/536897142.db2.gz RWYVGEUEZVLNHS-ZJUUUORDSA-N 2 1 238.331 1.529 20 0 BDADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000335644849 536992268 /nfs/dbraw/zinc/99/22/68/536992268.db2.gz VHGJKBXHXDXMCZ-ZIAGYGMSSA-N 2 1 246.354 1.504 20 0 BDADMP COc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000261558453 537048539 /nfs/dbraw/zinc/04/85/39/537048539.db2.gz SLBINMGNPDSCTH-DGCLKSJQSA-N 2 1 234.343 1.783 20 0 BDADMP CC[N@H+](CC[NH2+]C1CCC(C)(O)CC1)C(C)C ZINC000892800143 582985506 /nfs/dbraw/zinc/98/55/06/582985506.db2.gz GBCZVYXBLGOXCU-UHFFFAOYSA-N 2 1 242.407 2.000 20 0 BDADMP CC[N@@H+](CC[NH2+]C1CCC(C)(O)CC1)C(C)C ZINC000892800143 582985509 /nfs/dbraw/zinc/98/55/09/582985509.db2.gz GBCZVYXBLGOXCU-UHFFFAOYSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@H]([NH2+][C@H]1C=CCC1)c1c[nH+]ccc1N ZINC000854221661 588780319 /nfs/dbraw/zinc/78/03/19/588780319.db2.gz RAUWJKGFANSLTM-UWVGGRQHSA-N 2 1 203.289 1.863 20 0 BDADMP COC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757129103 582504522 /nfs/dbraw/zinc/50/45/22/582504522.db2.gz KSMJPFZQHSTENW-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757129103 582504523 /nfs/dbraw/zinc/50/45/23/582504523.db2.gz KSMJPFZQHSTENW-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1cc(N)nc(NCC[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC000891837882 582728248 /nfs/dbraw/zinc/72/82/48/582728248.db2.gz LEZMEVJPENMZBX-LLVKDONJSA-N 2 1 249.362 1.654 20 0 BDADMP Cc1cc(N)nc(NCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000891837882 582728251 /nfs/dbraw/zinc/72/82/51/582728251.db2.gz LEZMEVJPENMZBX-LLVKDONJSA-N 2 1 249.362 1.654 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1CO ZINC000891838914 582728969 /nfs/dbraw/zinc/72/89/69/582728969.db2.gz XKRCSENTQSEVLL-LBPRGKRZSA-N 2 1 249.358 1.282 20 0 BDADMP C[NH+]1CCC(C[N@@H+](CCCCO)C2CC2)CC1 ZINC000892036589 582769582 /nfs/dbraw/zinc/76/95/82/582769582.db2.gz WDSRZLJJWBLAAH-UHFFFAOYSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]cc1CO ZINC000892285102 582827144 /nfs/dbraw/zinc/82/71/44/582827144.db2.gz SBBWZQRBOKHFSL-LLVKDONJSA-N 2 1 237.347 1.138 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC1=[NH+]CCCCN1 ZINC000849216592 582844093 /nfs/dbraw/zinc/84/40/93/582844093.db2.gz LPBVINIPKQRKOI-LBPRGKRZSA-N 2 1 238.379 1.190 20 0 BDADMP Cc1cc(N)nc(NC[C@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000892345732 582863508 /nfs/dbraw/zinc/86/35/08/582863508.db2.gz SEKONPMBIGJYAF-SNVBAGLBSA-N 2 1 235.335 1.119 20 0 BDADMP C[C@@H](C1CC1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000782181704 582869946 /nfs/dbraw/zinc/86/99/46/582869946.db2.gz JKSWTUWOMFBREB-LBPRGKRZSA-N 2 1 240.391 1.564 20 0 BDADMP CN(C)c1cc(NC[C@H]2CCC[N@@H+](C)C2)ncn1 ZINC000892421870 582883336 /nfs/dbraw/zinc/88/33/36/582883336.db2.gz PPHMAEQHSKAICP-LLVKDONJSA-N 2 1 249.362 1.296 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750613 583016749 /nfs/dbraw/zinc/01/67/49/583016749.db2.gz ABGHAUJVJJIDEQ-XJFOESAGSA-N 2 1 220.360 1.860 20 0 BDADMP CC[N@H+]1CCN(c2cc(N(C)C)ncn2)C[C@@H]1C ZINC000892970763 583023851 /nfs/dbraw/zinc/02/38/51/583023851.db2.gz KNIVEOYWPYCLMK-NSHDSACASA-N 2 1 249.362 1.073 20 0 BDADMP CCN1CCN(c2cc(N(C)C)ncn2)C[C@@H]1C ZINC000892970763 583023852 /nfs/dbraw/zinc/02/38/52/583023852.db2.gz KNIVEOYWPYCLMK-NSHDSACASA-N 2 1 249.362 1.073 20 0 BDADMP CC[N@H+]1CCN(c2nccn3cncc23)C[C@@H]1C ZINC000892971075 583023886 /nfs/dbraw/zinc/02/38/86/583023886.db2.gz NOUGVLLIGVHZQQ-NSHDSACASA-N 2 1 245.330 1.260 20 0 BDADMP CCN1CCN(c2nccn3cncc23)C[C@@H]1C ZINC000892971075 583023887 /nfs/dbraw/zinc/02/38/87/583023887.db2.gz NOUGVLLIGVHZQQ-NSHDSACASA-N 2 1 245.330 1.260 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222886122 583179343 /nfs/dbraw/zinc/17/93/43/583179343.db2.gz SEUZZLJLQQEQCD-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222886122 583179347 /nfs/dbraw/zinc/17/93/47/583179347.db2.gz SEUZZLJLQQEQCD-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1C ZINC000893668435 583192293 /nfs/dbraw/zinc/19/22/93/583192293.db2.gz FJVUPDOEYQSXKL-STQMWFEESA-N 2 1 239.407 1.353 20 0 BDADMP Cc1ncoc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000894093145 583299789 /nfs/dbraw/zinc/29/97/89/583299789.db2.gz CWSQUFGFUUPQCZ-QWHCGFSZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000894093145 583299791 /nfs/dbraw/zinc/29/97/91/583299791.db2.gz CWSQUFGFUUPQCZ-QWHCGFSZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000894093145 583299794 /nfs/dbraw/zinc/29/97/94/583299794.db2.gz CWSQUFGFUUPQCZ-QWHCGFSZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000894093145 583299797 /nfs/dbraw/zinc/29/97/97/583299797.db2.gz CWSQUFGFUUPQCZ-QWHCGFSZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000894164128 583323148 /nfs/dbraw/zinc/32/31/48/583323148.db2.gz DDNHXTBKPVCSDC-SNVBAGLBSA-N 2 1 248.330 1.914 20 0 BDADMP Cc1ncoc1C[NH2+]CCn1cc[nH+]c1C ZINC000894210711 583374365 /nfs/dbraw/zinc/37/43/65/583374365.db2.gz JIODZZPEMOYRMR-UHFFFAOYSA-N 2 1 220.276 1.278 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879581364 583440534 /nfs/dbraw/zinc/44/05/34/583440534.db2.gz ZADWMRTYYSANFA-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879581364 583440536 /nfs/dbraw/zinc/44/05/36/583440536.db2.gz ZADWMRTYYSANFA-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000879581364 583440540 /nfs/dbraw/zinc/44/05/40/583440540.db2.gz ZADWMRTYYSANFA-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000879581364 583440544 /nfs/dbraw/zinc/44/05/44/583440544.db2.gz ZADWMRTYYSANFA-IGQOVBAYSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879581366 583440642 /nfs/dbraw/zinc/44/06/42/583440642.db2.gz ZADWMRTYYSANFA-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000879581366 583440647 /nfs/dbraw/zinc/44/06/47/583440647.db2.gz ZADWMRTYYSANFA-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000879581366 583440650 /nfs/dbraw/zinc/44/06/50/583440650.db2.gz ZADWMRTYYSANFA-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000879581366 583440653 /nfs/dbraw/zinc/44/06/53/583440653.db2.gz ZADWMRTYYSANFA-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000894456881 583464622 /nfs/dbraw/zinc/46/46/22/583464622.db2.gz RPLLMDKLBSQFHD-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)CO ZINC000894583342 583488570 /nfs/dbraw/zinc/48/85/70/583488570.db2.gz YHRZFUDJUTWRCP-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H]1CN(C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894640398 583499333 /nfs/dbraw/zinc/49/93/33/583499333.db2.gz CBBMJAYJBLHHCZ-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC([NH2+]CCO[C@@H]2CCCCO2)CC1 ZINC000894799358 583522163 /nfs/dbraw/zinc/52/21/63/583522163.db2.gz MXORAFVXCDNPGZ-CYBMUJFWSA-N 2 1 242.363 1.213 20 0 BDADMP C[C@@H](CC[NH2+]Cc1ccc2c[nH]nc2c1)[NH+](C)C ZINC000895298459 583640464 /nfs/dbraw/zinc/64/04/64/583640464.db2.gz WMHBTXORXHWUQN-NSHDSACASA-N 2 1 246.358 1.993 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CC(C)=NO2)CC1 ZINC000895306787 583644351 /nfs/dbraw/zinc/64/43/51/583644351.db2.gz JROOGYNWBJTXDD-ZDUSSCGKSA-N 2 1 239.363 1.615 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000895628286 583698407 /nfs/dbraw/zinc/69/84/07/583698407.db2.gz OMYGCFOLZCLAGE-ZDUSSCGKSA-N 2 1 244.354 1.389 20 0 BDADMP c1nc2n(c1C[N@H+]1C[C@@H]3CSC[C@@H]3C1)CCC2 ZINC000895777020 583726602 /nfs/dbraw/zinc/72/66/02/583726602.db2.gz OYKMIJAKOQTYTL-PHIMTYICSA-N 2 1 249.383 1.624 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000895849323 583737099 /nfs/dbraw/zinc/73/70/99/583737099.db2.gz UCOLQKDVOXEGFP-CYBMUJFWSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1[C@@H](NCc2cnn(C)c2C2CC2)CC[N@@H+]1C ZINC000896555021 583812192 /nfs/dbraw/zinc/81/21/92/583812192.db2.gz WQJKMFCYOKIDKA-MFKMUULPSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@@H]1[C@@H](NCc2cnn(C)c2C2CC2)CC[N@H+]1C ZINC000896555021 583812194 /nfs/dbraw/zinc/81/21/94/583812194.db2.gz WQJKMFCYOKIDKA-MFKMUULPSA-N 2 1 248.374 1.480 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]CCC[S@@](C)=O)CC1(C)C ZINC000858138762 588934800 /nfs/dbraw/zinc/93/48/00/588934800.db2.gz ARNUAULNWLFQBL-BDJLRTHQSA-N 2 1 246.420 1.217 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCC[S@@](C)=O)CC1(C)C ZINC000858138762 588934801 /nfs/dbraw/zinc/93/48/01/588934801.db2.gz ARNUAULNWLFQBL-BDJLRTHQSA-N 2 1 246.420 1.217 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CSC[C@@H]1C)C[NH+](C)C ZINC000896879914 583844846 /nfs/dbraw/zinc/84/48/46/583844846.db2.gz IRSKOUPCSGLAOK-QJPTWQEYSA-N 2 1 246.420 1.294 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@@H]1CCC=CO1)C[NH+](C)C ZINC000896879533 583845026 /nfs/dbraw/zinc/84/50/26/583845026.db2.gz CWCHVTSQNZVDKY-STQMWFEESA-N 2 1 242.363 1.235 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143017 583948241 /nfs/dbraw/zinc/94/82/41/583948241.db2.gz JFEUYXISWXPGAS-CHWSQXEVSA-N 2 1 238.375 1.616 20 0 BDADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@H](C)[NH+](C)C)C1 ZINC000864456425 584006098 /nfs/dbraw/zinc/00/60/98/584006098.db2.gz IMTZMPYQZNSYGF-WDEREUQCSA-N 2 1 226.368 1.193 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C2CC2)CC1(C)C ZINC000898199992 584098707 /nfs/dbraw/zinc/09/87/07/584098707.db2.gz TWVCFDVNMKUHMQ-CHWSQXEVSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000873270547 584128509 /nfs/dbraw/zinc/12/85/09/584128509.db2.gz WSBIRQRPRJLIOZ-MBNYWOFBSA-N 2 1 239.407 1.495 20 0 BDADMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899265216 584189749 /nfs/dbraw/zinc/18/97/49/584189749.db2.gz URYJZXZBGHMPDS-SECBINFHSA-N 2 1 235.335 1.104 20 0 BDADMP C[C@H](NC(=[NH2+])NCC[N@H+]1CC=CCC1)C1CC1 ZINC000899271894 584191420 /nfs/dbraw/zinc/19/14/20/584191420.db2.gz RXCKJPUBOGOISN-NSHDSACASA-N 2 1 236.363 1.161 20 0 BDADMP C[C@H](NC(=[NH2+])NCC[N@@H+]1CC=CCC1)C1CC1 ZINC000899271894 584191422 /nfs/dbraw/zinc/19/14/22/584191422.db2.gz RXCKJPUBOGOISN-NSHDSACASA-N 2 1 236.363 1.161 20 0 BDADMP C[C@@H](NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000899272118 584191872 /nfs/dbraw/zinc/19/18/72/584191872.db2.gz YIFLMQGMWCTISV-KOLCDFICSA-N 2 1 247.346 1.110 20 0 BDADMP C[C@H](NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000899272116 584191924 /nfs/dbraw/zinc/19/19/24/584191924.db2.gz YIFLMQGMWCTISV-GXSJLCMTSA-N 2 1 247.346 1.110 20 0 BDADMP C[NH+]1CCC2(CC[N@H+]2C[C@@](C)(O)C(F)F)CC1 ZINC000899909402 584249808 /nfs/dbraw/zinc/24/98/08/584249808.db2.gz BFQJITRATGZROX-LLVKDONJSA-N 2 1 248.317 1.173 20 0 BDADMP CNc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000902042577 584515375 /nfs/dbraw/zinc/51/53/75/584515375.db2.gz QVCBSDDNEIWYBE-UHFFFAOYSA-N 2 1 233.359 1.912 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348234 584559505 /nfs/dbraw/zinc/55/95/05/584559505.db2.gz XYTYLLYWVJHRRX-CYBMUJFWSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390107 584581284 /nfs/dbraw/zinc/58/12/84/584581284.db2.gz HCPVGZAJLDKXHJ-WDEREUQCSA-N 3 1 213.369 1.092 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902474645 584601968 /nfs/dbraw/zinc/60/19/68/584601968.db2.gz HEYJNYPHODZYKI-MLGHIDQZSA-N 2 1 238.375 1.673 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478519 584603745 /nfs/dbraw/zinc/60/37/45/584603745.db2.gz YCUAIXONOBYWJP-FVCCEPFGSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000902449425 584606182 /nfs/dbraw/zinc/60/61/82/584606182.db2.gz OGCIAGJQRPHTMO-MXWKQRLJSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC2(C)C)CC[N@H+]1C ZINC000902449777 584606477 /nfs/dbraw/zinc/60/64/77/584606477.db2.gz QDURAGXNBVTIKL-IJLUTSLNSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902454400 584608955 /nfs/dbraw/zinc/60/89/55/584608955.db2.gz HKIQPWNXCVHMFL-FPYNETTCSA-N 2 1 208.349 1.905 20 0 BDADMP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000902471287 584616588 /nfs/dbraw/zinc/61/65/88/584616588.db2.gz MABNLOVVBSOPDN-RCWTZXSCSA-N 2 1 212.362 1.365 20 0 BDADMP Nc1nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000902503505 584621336 /nfs/dbraw/zinc/62/13/36/584621336.db2.gz YFNWSBFQWNUHNZ-YUMQZZPRSA-N 2 1 226.349 1.085 20 0 BDADMP O[C@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000902506340 584621935 /nfs/dbraw/zinc/62/19/35/584621935.db2.gz YBJXJVBPRNRCGF-VXGBXAGGSA-N 2 1 224.348 1.022 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000902514000 584629258 /nfs/dbraw/zinc/62/92/58/584629258.db2.gz KDHPJLXWYLMSIG-AVGNSLFASA-N 2 1 229.412 1.678 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000902515692 584629571 /nfs/dbraw/zinc/62/95/71/584629571.db2.gz YHDQPYSXQGWCBK-NWDGAFQWSA-N 2 1 244.342 1.612 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000902517118 584629807 /nfs/dbraw/zinc/62/98/07/584629807.db2.gz HDTJPVAZAXGNFE-PYJNHQTQSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1c[nH+]ccc1N ZINC000902517095 584629839 /nfs/dbraw/zinc/62/98/39/584629839.db2.gz GZUZQBCZZMTDTE-DUFXMDAXSA-N 2 1 247.342 1.570 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902520990 584631480 /nfs/dbraw/zinc/63/14/80/584631480.db2.gz QKOCORGQNJNVGS-XJFOESAGSA-N 2 1 232.327 1.114 20 0 BDADMP CNc1ccccc1C[NH2+]CCc1c[nH+]cn1C ZINC000902621688 584645330 /nfs/dbraw/zinc/64/53/30/584645330.db2.gz OLPTWRZARCEERT-UHFFFAOYSA-N 2 1 244.342 1.794 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1C ZINC000903093461 584729222 /nfs/dbraw/zinc/72/92/22/584729222.db2.gz RHAHYLLUZPCSBM-HTOAHKCRSA-N 2 1 242.407 1.569 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000903185119 584733476 /nfs/dbraw/zinc/73/34/76/584733476.db2.gz HPENKQFQIGMGDM-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201823 584735670 /nfs/dbraw/zinc/73/56/70/584735670.db2.gz OLACNCNALWQVDC-RISCZKNCSA-N 2 1 248.374 1.187 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201823 584735671 /nfs/dbraw/zinc/73/56/71/584735671.db2.gz OLACNCNALWQVDC-RISCZKNCSA-N 2 1 248.374 1.187 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3COCC[C@H]32)C1 ZINC000903441459 584763754 /nfs/dbraw/zinc/76/37/54/584763754.db2.gz SZLQTTFFSMPUCQ-REWJHTLYSA-N 2 1 238.375 1.615 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000903441429 584763954 /nfs/dbraw/zinc/76/39/54/584763954.db2.gz RPMHWGHIFJKOQQ-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CN ZINC000903424823 584764986 /nfs/dbraw/zinc/76/49/86/584764986.db2.gz HYVDZQLRGNEJAK-FVCCEPFGSA-N 2 1 225.380 1.173 20 0 BDADMP C[C@@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000903424823 584764988 /nfs/dbraw/zinc/76/49/88/584764988.db2.gz HYVDZQLRGNEJAK-FVCCEPFGSA-N 2 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000903461209 584766894 /nfs/dbraw/zinc/76/68/94/584766894.db2.gz PJQVSGYPANJBFV-MQYQWHSLSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000903461209 584766895 /nfs/dbraw/zinc/76/68/95/584766895.db2.gz PJQVSGYPANJBFV-MQYQWHSLSA-N 2 1 239.407 1.291 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@@H]2C2CC2)C1 ZINC000903454959 584773104 /nfs/dbraw/zinc/77/31/04/584773104.db2.gz OWSNRWUCPVIYQV-CYZMBNFOSA-N 2 1 224.348 1.225 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903454591 584773512 /nfs/dbraw/zinc/77/35/12/584773512.db2.gz DLXACHGKPMZAHA-RQJABVFESA-N 2 1 239.407 1.256 20 0 BDADMP CCOC(=O)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903455281 584774062 /nfs/dbraw/zinc/77/40/62/584774062.db2.gz SJDGQBDITKDVKH-MNOVXSKESA-N 2 1 240.347 1.141 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CCOC1CC1)C1CCCCC1 ZINC000903455306 584774351 /nfs/dbraw/zinc/77/43/51/584774351.db2.gz STAOMAOAWLXWPC-CYBMUJFWSA-N 2 1 226.364 1.663 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000903472909 584775830 /nfs/dbraw/zinc/77/58/30/584775830.db2.gz WSNAYMLWFZDKJQ-QWHCGFSZSA-N 2 1 238.375 1.676 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CSC[C@H]3C2)C1 ZINC000903475763 584776865 /nfs/dbraw/zinc/77/68/65/584776865.db2.gz CIGKQYODIXJFSE-UMSGYPCISA-N 2 1 240.416 1.799 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCOC2CC2)C1 ZINC000903476380 584777648 /nfs/dbraw/zinc/77/76/48/584777648.db2.gz VOSHIZNAXTWBJI-AWEZNQCLSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498855 584780063 /nfs/dbraw/zinc/78/00/63/584780063.db2.gz LRQMDRSDHQOLJI-FDYHWXHSSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CC[NH3+] ZINC000903499576 584780125 /nfs/dbraw/zinc/78/01/25/584780125.db2.gz WORHBGQKPGDJHY-LPWJVIDDSA-N 3 1 225.380 1.031 20 0 BDADMP Cc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496559 584781127 /nfs/dbraw/zinc/78/11/27/584781127.db2.gz SHHIZBUFTSURMM-WCABBAIRSA-N 2 1 238.335 1.356 20 0 BDADMP CNC[C@@H]1CCCC[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000903527084 584781839 /nfs/dbraw/zinc/78/18/39/584781839.db2.gz SERPOARXLRYREP-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CNC[C@@H]1CCCC[N@H+]1C[C@H]1CCO[C@H]1C ZINC000903527084 584781840 /nfs/dbraw/zinc/78/18/40/584781840.db2.gz SERPOARXLRYREP-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@H+](Cc2cnn(CCF)c2)CC[C@@H]1[NH3+] ZINC000903716731 584791772 /nfs/dbraw/zinc/79/17/72/584791772.db2.gz QXYKZFDTJGDYMX-JQWIXIFHSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnn(CCF)c2)CC[C@@H]1[NH3+] ZINC000903716731 584791773 /nfs/dbraw/zinc/79/17/73/584791773.db2.gz QXYKZFDTJGDYMX-JQWIXIFHSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CC(C)C2)CCO1 ZINC000903716915 584792053 /nfs/dbraw/zinc/79/20/53/584792053.db2.gz DTXFZPIMLWGHGL-RUJICJSRSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CC(C)C2)CCO1 ZINC000903716915 584792055 /nfs/dbraw/zinc/79/20/55/584792055.db2.gz DTXFZPIMLWGHGL-RUJICJSRSA-N 2 1 212.337 1.081 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOC1CCSCC1 ZINC000903717138 584792307 /nfs/dbraw/zinc/79/23/07/584792307.db2.gz HNOBMOFNGKMCLQ-UHFFFAOYSA-N 2 1 232.393 1.179 20 0 BDADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000903717766 584792344 /nfs/dbraw/zinc/79/23/44/584792344.db2.gz WABDMJGQFKFVDI-WDEREUQCSA-N 2 1 242.363 1.102 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903729366 584792994 /nfs/dbraw/zinc/79/29/94/584792994.db2.gz LPOMRMWADOSQSX-ZDUSSCGKSA-N 2 1 242.407 1.717 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H]1C ZINC000903731616 584793156 /nfs/dbraw/zinc/79/31/56/584793156.db2.gz BVSZPPKKSLJLMW-ZOBORPQBSA-N 2 1 238.375 1.485 20 0 BDADMP CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000903752657 584795381 /nfs/dbraw/zinc/79/53/81/584795381.db2.gz PBPOCWBXQHLGOB-AXFHLTTASA-N 2 1 242.363 1.149 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734381 584796054 /nfs/dbraw/zinc/79/60/54/584796054.db2.gz YSLOXZXBSJIHPV-CRWXNKLISA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903743750 584796624 /nfs/dbraw/zinc/79/66/24/584796624.db2.gz MXUWPXHURJLJCC-CMPLNLGQSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903743750 584796625 /nfs/dbraw/zinc/79/66/25/584796625.db2.gz MXUWPXHURJLJCC-CMPLNLGQSA-N 2 1 240.326 1.022 20 0 BDADMP CC12CC(C1)C[N@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769315 584797861 /nfs/dbraw/zinc/79/78/61/584797861.db2.gz CKMCBUOHYYLXEJ-GNRIBBGQSA-N 2 1 236.359 1.239 20 0 BDADMP CC12CC(C1)C[N@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769314 584797892 /nfs/dbraw/zinc/79/78/92/584797892.db2.gz CKMCBUOHYYLXEJ-FKZOYECMSA-N 2 1 236.359 1.239 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767927 584798372 /nfs/dbraw/zinc/79/83/72/584798372.db2.gz JNDHCOJBXVXHGQ-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903756361 584798825 /nfs/dbraw/zinc/79/88/25/584798825.db2.gz QLPHEFCLFNAFRT-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](CCCF)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783826 584800359 /nfs/dbraw/zinc/80/03/59/584800359.db2.gz DZQQALHCGZOBTO-LBPRGKRZSA-N 2 1 244.354 1.437 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000903782270 584800521 /nfs/dbraw/zinc/80/05/21/584800521.db2.gz ISXOBPKQVZAFMK-GHMZBOCLSA-N 2 1 240.326 1.068 20 0 BDADMP COCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903815581 584800893 /nfs/dbraw/zinc/80/08/93/584800893.db2.gz RPNJBIZHFIWVSJ-GFCCVEGCSA-N 2 1 226.364 1.616 20 0 BDADMP Nc1cccc(C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903800348 584801657 /nfs/dbraw/zinc/80/16/57/584801657.db2.gz GSMQHYLEHJVYBI-UKRRQHHQSA-N 2 1 245.370 1.972 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903800348 584801659 /nfs/dbraw/zinc/80/16/59/584801659.db2.gz GSMQHYLEHJVYBI-UKRRQHHQSA-N 2 1 245.370 1.972 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCc1cn[nH]c1 ZINC000903804233 584802780 /nfs/dbraw/zinc/80/27/80/584802780.db2.gz BOJFWQPZVUWDPR-QWHCGFSZSA-N 2 1 234.347 1.156 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCc1cn[nH]c1 ZINC000903804233 584802781 /nfs/dbraw/zinc/80/27/81/584802781.db2.gz BOJFWQPZVUWDPR-QWHCGFSZSA-N 2 1 234.347 1.156 20 0 BDADMP C[C@H]1CSCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903829352 584805819 /nfs/dbraw/zinc/80/58/19/584805819.db2.gz DOHXCEPKLSUFAC-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]1CCOCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903831617 584806001 /nfs/dbraw/zinc/80/60/01/584806001.db2.gz LGWIDRSDFIZPEY-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000903831956 584806078 /nfs/dbraw/zinc/80/60/78/584806078.db2.gz OYHMCGODYHQOGU-SNVBAGLBSA-N 2 1 225.361 1.356 20 0 BDADMP NC[C@@]12CC[C@H]1CC[N@@H+]2CCc1cccnc1 ZINC000903856481 584808490 /nfs/dbraw/zinc/80/84/90/584808490.db2.gz REQAOGBXKBFHIH-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP NC[C@@]12CC[C@H]1CC[N@H+]2CCc1cccnc1 ZINC000903856481 584808491 /nfs/dbraw/zinc/80/84/91/584808491.db2.gz REQAOGBXKBFHIH-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCc1cccnc1 ZINC000903856481 584808492 /nfs/dbraw/zinc/80/84/92/584808492.db2.gz REQAOGBXKBFHIH-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCc1cccnc1 ZINC000903856481 584808493 /nfs/dbraw/zinc/80/84/93/584808493.db2.gz REQAOGBXKBFHIH-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2CC[C@H]1CCCO1 ZINC000903856544 584808933 /nfs/dbraw/zinc/80/89/33/584808933.db2.gz ABOKYPBBFDCKFI-JHJVBQTASA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC[C@H]1CCCO1 ZINC000903856544 584808935 /nfs/dbraw/zinc/80/89/35/584808935.db2.gz ABOKYPBBFDCKFI-JHJVBQTASA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC[C@H]1CCCO1 ZINC000903856544 584808937 /nfs/dbraw/zinc/80/89/37/584808937.db2.gz ABOKYPBBFDCKFI-JHJVBQTASA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3CC[C@]32CN)O1 ZINC000903856628 584809150 /nfs/dbraw/zinc/80/91/50/584809150.db2.gz AQLPANJEPSGGJT-LPWJVIDDSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3CC[C@]32CN)O1 ZINC000903856628 584809151 /nfs/dbraw/zinc/80/91/51/584809151.db2.gz AQLPANJEPSGGJT-LPWJVIDDSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])O1 ZINC000903856628 584809152 /nfs/dbraw/zinc/80/91/52/584809152.db2.gz AQLPANJEPSGGJT-LPWJVIDDSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])O1 ZINC000903856628 584809153 /nfs/dbraw/zinc/80/91/53/584809153.db2.gz AQLPANJEPSGGJT-LPWJVIDDSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903856578 584809532 /nfs/dbraw/zinc/80/95/32/584809532.db2.gz ADONPZXHGNCRAC-UMSGYPCISA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856578 584809533 /nfs/dbraw/zinc/80/95/33/584809533.db2.gz ADONPZXHGNCRAC-UMSGYPCISA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856578 584809534 /nfs/dbraw/zinc/80/95/34/584809534.db2.gz ADONPZXHGNCRAC-UMSGYPCISA-N 2 1 224.348 1.225 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903855499 584809591 /nfs/dbraw/zinc/80/95/91/584809591.db2.gz OOWMRUMRGMEZTH-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903855499 584809592 /nfs/dbraw/zinc/80/95/92/584809592.db2.gz OOWMRUMRGMEZTH-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855499 584809593 /nfs/dbraw/zinc/80/95/93/584809593.db2.gz OOWMRUMRGMEZTH-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855499 584809594 /nfs/dbraw/zinc/80/95/94/584809594.db2.gz OOWMRUMRGMEZTH-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC000903856892 584809959 /nfs/dbraw/zinc/80/99/59/584809959.db2.gz TUBVZVZVDXIKQB-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC1CCCC1 ZINC000903856892 584809961 /nfs/dbraw/zinc/80/99/61/584809961.db2.gz TUBVZVZVDXIKQB-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000903881202 584817730 /nfs/dbraw/zinc/81/77/30/584817730.db2.gz GJJBHBHUEVLVHT-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]CCC[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000903881202 584817732 /nfs/dbraw/zinc/81/77/32/584817732.db2.gz GJJBHBHUEVLVHT-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903885919 584819288 /nfs/dbraw/zinc/81/92/88/584819288.db2.gz LYMOUANEEFEYDR-VXGBXAGGSA-N 2 1 249.362 1.044 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C[C@@H]([NH3+])CC(F)F ZINC000903903563 584820992 /nfs/dbraw/zinc/82/09/92/584820992.db2.gz VRDYRVXZDFZBCC-WDEREUQCSA-N 2 1 249.349 1.241 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@@H]([NH3+])CC(F)F ZINC000903903562 584821230 /nfs/dbraw/zinc/82/12/30/584821230.db2.gz VRDYRVXZDFZBCC-QWRGUYRKSA-N 2 1 249.349 1.241 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905765 584821252 /nfs/dbraw/zinc/82/12/52/584821252.db2.gz NNHQUUNSJHKFIC-LSPKCERGSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C)N1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905765 584821253 /nfs/dbraw/zinc/82/12/53/584821253.db2.gz NNHQUUNSJHKFIC-LSPKCERGSA-N 2 1 237.391 1.199 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903907981 584821557 /nfs/dbraw/zinc/82/15/57/584821557.db2.gz BVRRRGHOXJDKLJ-GXSJLCMTSA-N 2 1 236.306 1.206 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903907981 584821559 /nfs/dbraw/zinc/82/15/59/584821559.db2.gz BVRRRGHOXJDKLJ-GXSJLCMTSA-N 2 1 236.306 1.206 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CO ZINC000903908725 584821757 /nfs/dbraw/zinc/82/17/57/584821757.db2.gz OVWOGFBSJBXENW-JWURUJNWSA-N 2 1 238.375 1.220 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000903909986 584821869 /nfs/dbraw/zinc/82/18/69/584821869.db2.gz ZCDFNKQKWSMOEY-DCAQKATOSA-N 2 1 249.349 1.383 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903907984 584821976 /nfs/dbraw/zinc/82/19/76/584821976.db2.gz BVRRRGHOXJDKLJ-ONGXEEELSA-N 2 1 236.306 1.206 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903907984 584821978 /nfs/dbraw/zinc/82/19/78/584821978.db2.gz BVRRRGHOXJDKLJ-ONGXEEELSA-N 2 1 236.306 1.206 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CO ZINC000903908727 584822057 /nfs/dbraw/zinc/82/20/57/584822057.db2.gz OVWOGFBSJBXENW-RKFYDKJMSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913641 584822481 /nfs/dbraw/zinc/82/24/81/584822481.db2.gz QNMURLLAADYNHU-BXUZGUMPSA-N 2 1 246.354 1.287 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920236 584823127 /nfs/dbraw/zinc/82/31/27/584823127.db2.gz RTNKCPZLAWUPGK-WYTNZGFTSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)C1CCOCC1 ZINC000903921833 584823148 /nfs/dbraw/zinc/82/31/48/584823148.db2.gz RDSOTIQXGXCSGF-WCBMZHEXSA-N 2 1 236.306 1.374 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931994 584825245 /nfs/dbraw/zinc/82/52/45/584825245.db2.gz KXAUTRANNGGSIF-FJCXZIGKSA-N 2 1 237.391 1.329 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCC[C@@H]1F)CC(F)F ZINC000903934251 584825588 /nfs/dbraw/zinc/82/55/88/584825588.db2.gz FMIDGDLWBPFEPB-HRDYMLBCSA-N 2 1 224.270 1.839 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935704 584825895 /nfs/dbraw/zinc/82/58/95/584825895.db2.gz SVIXYERCCOCSQS-YEKKKDRXSA-N 2 1 237.391 1.247 20 0 BDADMP C([NH2+]C[C@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917750 584826769 /nfs/dbraw/zinc/82/67/69/584826769.db2.gz MYYJIYWPPHSYAA-WTUNAVPPSA-N 3 1 237.391 1.249 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903960037 584827841 /nfs/dbraw/zinc/82/78/41/584827841.db2.gz VMTNCQKIRVBKQZ-OAHLLOKOSA-N 2 1 247.386 1.991 20 0 BDADMP C([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000903973556 584832584 /nfs/dbraw/zinc/83/25/84/584832584.db2.gz GMGAYXIYNCYEJH-GFCCVEGCSA-N 2 1 224.348 1.145 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964138 584833905 /nfs/dbraw/zinc/83/39/05/584833905.db2.gz MUXWEPAOLQIJAK-GRYCIOLGSA-N 2 1 214.353 1.245 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903965078 584834734 /nfs/dbraw/zinc/83/47/34/584834734.db2.gz ZJYATOSDAVTJAG-IJLUTSLNSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@]1(CN2CCC(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904299825 584860712 /nfs/dbraw/zinc/86/07/12/584860712.db2.gz PGTQGYCHEKERBL-CYBMUJFWSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904301555 584861134 /nfs/dbraw/zinc/86/11/34/584861134.db2.gz NRRORSCUCNEWEZ-STQMWFEESA-N 2 1 226.364 1.080 20 0 BDADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)CC(C)(C)C[NH3+] ZINC000904302379 584862346 /nfs/dbraw/zinc/86/23/46/584862346.db2.gz VEHKQVQHPGGJOC-UHFFFAOYSA-N 3 1 235.375 1.562 20 0 BDADMP CN(Cc1ccc(C[NH3+])cc1)CC(C)(C)C[NH3+] ZINC000904302379 584862347 /nfs/dbraw/zinc/86/23/47/584862347.db2.gz VEHKQVQHPGGJOC-UHFFFAOYSA-N 2 1 235.375 1.562 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904321943 584864570 /nfs/dbraw/zinc/86/45/70/584864570.db2.gz KXNCWNHRFDHVNY-MJBXVCDLSA-N 2 1 240.391 1.611 20 0 BDADMP CC1([NH3+])CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000904334246 584866878 /nfs/dbraw/zinc/86/68/78/584866878.db2.gz QFSFBMQPRHRDNJ-UHFFFAOYSA-N 2 1 233.359 1.459 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)[C@H]1CO ZINC000904341777 584867518 /nfs/dbraw/zinc/86/75/18/584867518.db2.gz VUXOFVRSZGRCBV-UPJWGTAASA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)[C@H]1CO ZINC000904341777 584867519 /nfs/dbraw/zinc/86/75/19/584867519.db2.gz VUXOFVRSZGRCBV-UPJWGTAASA-N 2 1 242.407 1.843 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000904353215 584869875 /nfs/dbraw/zinc/86/98/75/584869875.db2.gz IRSXKTNFSWIKSL-KGYLQXTDSA-N 3 1 225.380 1.221 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904367763 584872880 /nfs/dbraw/zinc/87/28/80/584872880.db2.gz HZVDPYBRHPGEAL-AWEZNQCLSA-N 3 1 241.423 1.698 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)C1 ZINC000904372150 584873374 /nfs/dbraw/zinc/87/33/74/584873374.db2.gz YMFCSVGSZCGGEZ-PMOUVXMZSA-N 2 1 246.354 1.532 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1)CCOCC2 ZINC000904374340 584873579 /nfs/dbraw/zinc/87/35/79/584873579.db2.gz QERSKGMGOONTJZ-UPJWGTAASA-N 2 1 238.375 1.615 20 0 BDADMP CC[N@H+](CCC(N)=O)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904388591 584874830 /nfs/dbraw/zinc/87/48/30/584874830.db2.gz LFPCHFCVPNSOAL-NSHDSACASA-N 2 1 243.395 1.337 20 0 BDADMP CC[N@@H+](CCC(N)=O)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904388591 584874831 /nfs/dbraw/zinc/87/48/31/584874831.db2.gz LFPCHFCVPNSOAL-NSHDSACASA-N 2 1 243.395 1.337 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000904380155 584876583 /nfs/dbraw/zinc/87/65/83/584876583.db2.gz JIZUDONORIAXLR-HUUCEWRRSA-N 3 1 245.370 1.459 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000904380155 584876584 /nfs/dbraw/zinc/87/65/84/584876584.db2.gz JIZUDONORIAXLR-HUUCEWRRSA-N 3 1 245.370 1.459 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000904380409 584876865 /nfs/dbraw/zinc/87/68/65/584876865.db2.gz BTAJSCXEGJNREN-HNNXBMFYSA-N 3 1 247.386 1.849 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000904380409 584876866 /nfs/dbraw/zinc/87/68/66/584876866.db2.gz BTAJSCXEGJNREN-HNNXBMFYSA-N 3 1 247.386 1.849 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904385502 584877732 /nfs/dbraw/zinc/87/77/32/584877732.db2.gz ZQCBGIVUHYLTRM-BXUZGUMPSA-N 2 1 233.359 1.172 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3CSC[C@@H]3C2)C1 ZINC000904385231 584877862 /nfs/dbraw/zinc/87/78/62/584877862.db2.gz VQDGRUBBFHWAKV-FIQHERPVSA-N 2 1 226.389 1.409 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncs2)CC[C@@H]1C[NH3+] ZINC000904412568 584879794 /nfs/dbraw/zinc/87/97/94/584879794.db2.gz WMYBOELXWBZKAJ-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000904412928 584879935 /nfs/dbraw/zinc/87/99/35/584879935.db2.gz ZKDVZUGUQGZCPL-JQWIXIFHSA-N 2 1 249.358 1.512 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420768 584882012 /nfs/dbraw/zinc/88/20/12/584882012.db2.gz WOKWNOXSBORBDF-QWHCGFSZSA-N 2 1 219.332 1.066 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000817913697 584991410 /nfs/dbraw/zinc/99/14/10/584991410.db2.gz QUCNESMWVSAIAF-MCIONIFRSA-N 2 1 239.407 1.720 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)C3CC3)C2)C1 ZINC000839026049 585088079 /nfs/dbraw/zinc/08/80/79/585088079.db2.gz RNXXNXFRSPEMBB-KBPBESRZSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)C3CC3)C2)C1 ZINC000839026049 585088080 /nfs/dbraw/zinc/08/80/80/585088080.db2.gz RNXXNXFRSPEMBB-KBPBESRZSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)C3CC3)C2)C1 ZINC000839026049 585088081 /nfs/dbraw/zinc/08/80/81/585088081.db2.gz RNXXNXFRSPEMBB-KBPBESRZSA-N 2 1 238.375 1.175 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(C)COC1 ZINC000743849593 585140827 /nfs/dbraw/zinc/14/08/27/585140827.db2.gz VPNRBFXABZPLAI-UHFFFAOYSA-N 2 1 226.364 1.297 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000886839881 585182633 /nfs/dbraw/zinc/18/26/33/585182633.db2.gz NUPVOKMCQLWAGR-REWJHTLYSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000886839881 585182634 /nfs/dbraw/zinc/18/26/34/585182634.db2.gz NUPVOKMCQLWAGR-REWJHTLYSA-N 2 1 236.359 1.097 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NC1CCCC1 ZINC000221246460 585255433 /nfs/dbraw/zinc/25/54/33/585255433.db2.gz XTSUCXSQFPSIGK-LLVKDONJSA-N 2 1 240.395 1.773 20 0 BDADMP C[C@H]1CC(C)(C)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000839659411 585333724 /nfs/dbraw/zinc/33/37/24/585333724.db2.gz CTDRAHVYPKYSPK-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000839659411 585333725 /nfs/dbraw/zinc/33/37/25/585333725.db2.gz CTDRAHVYPKYSPK-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000762927279 585439490 /nfs/dbraw/zinc/43/94/90/585439490.db2.gz OMTROAKSCQGSKW-NWDGAFQWSA-N 2 1 205.305 1.676 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2C[C@H]21 ZINC000762927279 585439491 /nfs/dbraw/zinc/43/94/91/585439491.db2.gz OMTROAKSCQGSKW-NWDGAFQWSA-N 2 1 205.305 1.676 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(c2cc(C)[nH+]c(N)n2)C[C@H]1C ZINC000765640089 585491722 /nfs/dbraw/zinc/49/17/22/585491722.db2.gz GSMNZDIBPFDAMG-GHMZBOCLSA-N 2 1 249.362 1.286 20 0 BDADMP CCc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000765995801 585495624 /nfs/dbraw/zinc/49/56/24/585495624.db2.gz XPGUGEGNBHLFQL-CMPLNLGQSA-N 2 1 236.363 1.544 20 0 BDADMP CCc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000765995801 585495625 /nfs/dbraw/zinc/49/56/25/585495625.db2.gz XPGUGEGNBHLFQL-CMPLNLGQSA-N 2 1 236.363 1.544 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CC[NH+]2CCCC2)C[C@@H]1C ZINC000766254400 585499395 /nfs/dbraw/zinc/49/93/95/585499395.db2.gz QAAQCXOZTDBHST-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)C2CC2)CCN1C ZINC000767414204 585519292 /nfs/dbraw/zinc/51/92/92/585519292.db2.gz IVMKQAIKNSPVMA-YPMHNXCESA-N 2 1 238.375 1.770 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)COCCOC)CC1 ZINC000775412679 585677493 /nfs/dbraw/zinc/67/74/93/585677493.db2.gz WIHHCFGHOBKZRQ-LBPRGKRZSA-N 2 1 244.379 1.112 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779346094 585752241 /nfs/dbraw/zinc/75/22/41/585752241.db2.gz UHNSWFLGDFINJL-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP COC1CC(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000859314242 589030183 /nfs/dbraw/zinc/03/01/83/589030183.db2.gz HIJXSLJPRWSZOR-RUXDESIVSA-N 2 1 238.375 1.439 20 0 BDADMP COC1CC(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000859314242 589030185 /nfs/dbraw/zinc/03/01/85/589030185.db2.gz HIJXSLJPRWSZOR-RUXDESIVSA-N 2 1 238.375 1.439 20 0 BDADMP COC1CC(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000859314242 589030187 /nfs/dbraw/zinc/03/01/87/589030187.db2.gz HIJXSLJPRWSZOR-RUXDESIVSA-N 2 1 238.375 1.439 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000795118123 586069043 /nfs/dbraw/zinc/06/90/43/586069043.db2.gz ZXTFSQIWYMOOPD-NSHDSACASA-N 2 1 205.305 1.612 20 0 BDADMP CC1=CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000797998894 586135470 /nfs/dbraw/zinc/13/54/70/586135470.db2.gz MJGPUUMQFDEVGS-ZDUSSCGKSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000811811437 586567224 /nfs/dbraw/zinc/56/72/24/586567224.db2.gz BVKJUAUVGGCPCP-UWVGGRQHSA-N 2 1 247.346 1.404 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCCO ZINC000817918837 586831414 /nfs/dbraw/zinc/83/14/14/586831414.db2.gz NPABOHZJMRWLHZ-VXGBXAGGSA-N 2 1 214.353 1.127 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000817903867 586831491 /nfs/dbraw/zinc/83/14/91/586831491.db2.gz MUPZFLIJOSUCBO-AGIUHOORSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CSCCS1)[C@@H]1CCC[NH2+]1 ZINC000817898521 586835132 /nfs/dbraw/zinc/83/51/32/586835132.db2.gz HVBHDLSDRBXYDG-VWYCJHECSA-N 2 1 246.445 1.565 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817903829 586837578 /nfs/dbraw/zinc/83/75/78/586837578.db2.gz LZMLTKUWLRVBCK-XQQFMLRXSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000817912271 586838270 /nfs/dbraw/zinc/83/82/70/586838270.db2.gz FTLFXAUBJNLQTB-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912789 586838379 /nfs/dbraw/zinc/83/83/79/586838379.db2.gz IONVZQXFYKGTBY-MELADBBJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CCC[C@H]1C ZINC000817914429 586839155 /nfs/dbraw/zinc/83/91/55/586839155.db2.gz XGAOJDJQCFIIQM-SDDRHHMPSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC[C@H]1C ZINC000817914429 586839156 /nfs/dbraw/zinc/83/91/56/586839156.db2.gz XGAOJDJQCFIIQM-SDDRHHMPSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CSC(C)(C)C ZINC000817969662 586856653 /nfs/dbraw/zinc/85/66/53/586856653.db2.gz GFMHMOWJVUCQCX-IUCAKERBSA-N 2 1 204.383 1.843 20 0 BDADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C)CC1 ZINC000827372513 587378711 /nfs/dbraw/zinc/37/87/11/587378711.db2.gz AWKNOFYNNCCFEK-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)CC1 ZINC000827372513 587378712 /nfs/dbraw/zinc/37/87/12/587378712.db2.gz AWKNOFYNNCCFEK-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH]cn1 ZINC000832083747 587644597 /nfs/dbraw/zinc/64/45/97/587644597.db2.gz FQRUPRWZCNFDBB-MNOVXSKESA-N 2 1 237.303 1.231 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000834340780 587752719 /nfs/dbraw/zinc/75/27/19/587752719.db2.gz CMKKPNVPKOZSTK-LBPRGKRZSA-N 2 1 243.395 1.210 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOc1cccc(F)c1 ZINC000841007056 587934657 /nfs/dbraw/zinc/93/46/57/587934657.db2.gz KKPOHVKXQSKHGQ-UHFFFAOYSA-N 2 1 226.295 1.485 20 0 BDADMP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000841048681 587939954 /nfs/dbraw/zinc/93/99/54/587939954.db2.gz KOIWDUODRHEAGR-SSDOTTSWSA-N 2 1 230.743 1.066 20 0 BDADMP Clc1ccc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000841094355 587946693 /nfs/dbraw/zinc/94/66/93/587946693.db2.gz XBWKYHUCPNPDSV-UHFFFAOYSA-N 2 1 239.750 1.967 20 0 BDADMP CN(C)c1cc[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000842291926 588014512 /nfs/dbraw/zinc/01/45/12/588014512.db2.gz NLTCWDWXUCUJQC-ZJUUUORDSA-N 2 1 235.335 1.224 20 0 BDADMP CNC(=O)[C@H](C)C[N@@H+](C)CCCCCCC[NH3+] ZINC000842473325 588028945 /nfs/dbraw/zinc/02/89/45/588028945.db2.gz VGWRJEGSQCUGIR-GFCCVEGCSA-N 2 1 243.395 1.210 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000842473912 588029039 /nfs/dbraw/zinc/02/90/39/588029039.db2.gz RZFMULWJROFSMV-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1CCCCCCC[NH3+] ZINC000842473912 588029041 /nfs/dbraw/zinc/02/90/41/588029041.db2.gz RZFMULWJROFSMV-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842477325 588029774 /nfs/dbraw/zinc/02/97/74/588029774.db2.gz PJTIHKYKRYFQAM-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842477325 588029776 /nfs/dbraw/zinc/02/97/76/588029776.db2.gz PJTIHKYKRYFQAM-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@H](C)CN1C ZINC000842476918 588029860 /nfs/dbraw/zinc/02/98/60/588029860.db2.gz XBTAFWUMHLZARX-ZIAGYGMSSA-N 2 1 241.423 1.920 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000843067704 588078574 /nfs/dbraw/zinc/07/85/74/588078574.db2.gz HJBDDHZNABKVSR-NSHDSACASA-N 2 1 242.363 1.199 20 0 BDADMP CCC[N@H+](C)Cc1nc(C2CC[NH2+]CC2)no1 ZINC000843139732 588085974 /nfs/dbraw/zinc/08/59/74/588085974.db2.gz KAVQSPFADGPNKH-UHFFFAOYSA-N 2 1 238.335 1.378 20 0 BDADMP CCC[N@@H+](C)Cc1nc(C2CC[NH2+]CC2)no1 ZINC000843139732 588085976 /nfs/dbraw/zinc/08/59/76/588085976.db2.gz KAVQSPFADGPNKH-UHFFFAOYSA-N 2 1 238.335 1.378 20 0 BDADMP C[C@H](NCCCCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000843343679 588101370 /nfs/dbraw/zinc/10/13/70/588101370.db2.gz CUAUAWJLSIMVAO-NWDGAFQWSA-N 2 1 213.369 1.236 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[NH2+]CC1 ZINC000843345187 588101850 /nfs/dbraw/zinc/10/18/50/588101850.db2.gz YUCXIZMBMLVLLS-UHFFFAOYSA-N 3 1 213.369 1.191 20 0 BDADMP [NH3+]CCCCCCCN1CCC[NH2+]CC1 ZINC000843345187 588101851 /nfs/dbraw/zinc/10/18/51/588101851.db2.gz YUCXIZMBMLVLLS-UHFFFAOYSA-N 2 1 213.369 1.191 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCCNCC1 ZINC000843345187 588101852 /nfs/dbraw/zinc/10/18/52/588101852.db2.gz YUCXIZMBMLVLLS-UHFFFAOYSA-N 2 1 213.369 1.191 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCCNCC1 ZINC000843345187 588101853 /nfs/dbraw/zinc/10/18/53/588101853.db2.gz YUCXIZMBMLVLLS-UHFFFAOYSA-N 2 1 213.369 1.191 20 0 BDADMP C[C@@H]1CNCC[N@@H+]1CCCCCCC[NH3+] ZINC000843347313 588101984 /nfs/dbraw/zinc/10/19/84/588101984.db2.gz QKARBDVIQOWTKK-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP C[C@@H]1CNCC[N@H+]1CCCCCCC[NH3+] ZINC000843347313 588101986 /nfs/dbraw/zinc/10/19/86/588101986.db2.gz QKARBDVIQOWTKK-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1CN ZINC000843350893 588102632 /nfs/dbraw/zinc/10/26/32/588102632.db2.gz ATHNCCSUPUYYTF-ZIAGYGMSSA-N 2 1 241.423 1.955 20 0 BDADMP C[C@@H]1CCCN(CCCCCCC[NH3+])[C@@H]1C[NH3+] ZINC000843350893 588102634 /nfs/dbraw/zinc/10/26/34/588102634.db2.gz ATHNCCSUPUYYTF-ZIAGYGMSSA-N 2 1 241.423 1.955 20 0 BDADMP CCCCOC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000843356487 588103334 /nfs/dbraw/zinc/10/33/34/588103334.db2.gz RVKKYUYISFEFSR-ZDUSSCGKSA-N 2 1 244.379 1.683 20 0 BDADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH3+] ZINC000844200061 588173474 /nfs/dbraw/zinc/17/34/74/588173474.db2.gz HBHXKCNUVQWPEC-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CC[N@@H+](CCc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000844221818 588174093 /nfs/dbraw/zinc/17/40/93/588174093.db2.gz MHTLNGREVRGLBJ-CYBMUJFWSA-N 2 1 233.359 1.556 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCCCCC[NH3+])C1CC1 ZINC000846217366 588260442 /nfs/dbraw/zinc/26/04/42/588260442.db2.gz FPGSXZGBEZRSRB-LBPRGKRZSA-N 3 1 213.369 1.223 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCCCC[NH3+] ZINC000846217200 588260571 /nfs/dbraw/zinc/26/05/71/588260571.db2.gz CMQWKYOHHVWUSY-ZDUSSCGKSA-N 3 1 229.412 1.811 20 0 BDADMP NC(=O)C[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218969 588260784 /nfs/dbraw/zinc/26/07/84/588260784.db2.gz AVLQTCNNCOFCHK-GFCCVEGCSA-N 2 1 241.379 1.093 20 0 BDADMP NC(=O)C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218970 588260944 /nfs/dbraw/zinc/26/09/44/588260944.db2.gz AVLQTCNNCOFCHK-LBPRGKRZSA-N 2 1 241.379 1.093 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000846220206 588260989 /nfs/dbraw/zinc/26/09/89/588260989.db2.gz KPWJWOKRVYONIZ-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP CCC[C@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC000846220206 588260990 /nfs/dbraw/zinc/26/09/90/588260990.db2.gz KPWJWOKRVYONIZ-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP CCN1C[C@@H](C)[N@@H+](CCCCCC[NH3+])C[C@@H]1C ZINC000846221266 588261352 /nfs/dbraw/zinc/26/13/52/588261352.db2.gz VWRWDUPLYANRQS-UONOGXRCSA-N 2 1 241.423 1.920 20 0 BDADMP CC[N@@H+]1C[C@@H](C)N(CCCCCC[NH3+])C[C@@H]1C ZINC000846221266 588261353 /nfs/dbraw/zinc/26/13/53/588261353.db2.gz VWRWDUPLYANRQS-UONOGXRCSA-N 2 1 241.423 1.920 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CCCCCC[NH3+])C[C@@H]1C ZINC000846221266 588261354 /nfs/dbraw/zinc/26/13/54/588261354.db2.gz VWRWDUPLYANRQS-UONOGXRCSA-N 2 1 241.423 1.920 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](O)C1 ZINC000846226215 588261615 /nfs/dbraw/zinc/26/16/15/588261615.db2.gz KLKTZAGRHSHSQD-GFCCVEGCSA-N 2 1 214.353 1.352 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCCCC[NH3+])[C@H]1CC[NH3+] ZINC000846226404 588261716 /nfs/dbraw/zinc/26/17/16/588261716.db2.gz MPPFAZFWFACWSP-KBPBESRZSA-N 2 1 241.423 1.955 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3ccnc32)C1 ZINC000848720965 588408507 /nfs/dbraw/zinc/40/85/07/588408507.db2.gz WDUKKCHZEQJIKM-GMTAPVOTSA-N 2 1 220.320 1.187 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000848719507 588408620 /nfs/dbraw/zinc/40/86/20/588408620.db2.gz HQXZUHLEJWMJJP-UWVGGRQHSA-N 2 1 223.295 1.580 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccnc2F)C1 ZINC000848719891 588408640 /nfs/dbraw/zinc/40/86/40/588408640.db2.gz GDTIYTWBVLOMHA-QWRGUYRKSA-N 2 1 223.295 1.580 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2F)C1 ZINC000848719889 588408644 /nfs/dbraw/zinc/40/86/44/588408644.db2.gz GDTIYTWBVLOMHA-GHMZBOCLSA-N 2 1 223.295 1.580 20 0 BDADMP CCNC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000848981634 588423508 /nfs/dbraw/zinc/42/35/08/588423508.db2.gz HNLBVOAJWMPTBF-ZDUSSCGKSA-N 2 1 248.374 1.293 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N1CCCCC1 ZINC000848987512 588426025 /nfs/dbraw/zinc/42/60/25/588426025.db2.gz CIVIWBUCYMNQGA-UHFFFAOYSA-N 2 1 240.395 1.727 20 0 BDADMP CCCCNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987583 588426270 /nfs/dbraw/zinc/42/62/70/588426270.db2.gz IUPGKAZVSQPODT-UHFFFAOYSA-N 2 1 228.384 1.631 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000848987449 588426315 /nfs/dbraw/zinc/42/63/15/588426315.db2.gz YZIUFOGCPNGZHT-JTQLQIEISA-N 2 1 237.351 1.494 20 0 BDADMP CCNC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000848989604 588426766 /nfs/dbraw/zinc/42/67/66/588426766.db2.gz ZPMDIOAUAYUBGY-GFCCVEGCSA-N 2 1 240.395 1.632 20 0 BDADMP CC(C)CCNC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996640 588429527 /nfs/dbraw/zinc/42/95/27/588429527.db2.gz MBSDNHIGZSYIQE-JTQLQIEISA-N 2 1 214.357 1.097 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC ZINC000849000979 588430750 /nfs/dbraw/zinc/43/07/50/588430750.db2.gz KRAUVPAJIOJJRL-GHMZBOCLSA-N 2 1 228.384 1.629 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000849001604 588431013 /nfs/dbraw/zinc/43/10/13/588431013.db2.gz HRIJNOJJMROISW-VHSXEESVSA-N 2 1 226.368 1.382 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039303 588446872 /nfs/dbraw/zinc/44/68/72/588446872.db2.gz REWIYKYGFSRHDE-LLVKDONJSA-N 2 1 240.395 1.773 20 0 BDADMP CCCCCCNC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043803 588449335 /nfs/dbraw/zinc/44/93/35/588449335.db2.gz VWMFSHWUWWCIDC-UHFFFAOYSA-N 2 1 240.395 1.775 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000108324326 588460707 /nfs/dbraw/zinc/46/07/07/588460707.db2.gz GZYFNWQUVTYFCN-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP COC(CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000851796887 588629796 /nfs/dbraw/zinc/62/97/96/588629796.db2.gz LUIBMBBUEVGKAF-RYUDHWBXSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000851796887 588629797 /nfs/dbraw/zinc/62/97/97/588629797.db2.gz LUIBMBBUEVGKAF-RYUDHWBXSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000851796887 588629798 /nfs/dbraw/zinc/62/97/98/588629798.db2.gz LUIBMBBUEVGKAF-RYUDHWBXSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000851796887 588629799 /nfs/dbraw/zinc/62/97/99/588629799.db2.gz LUIBMBBUEVGKAF-RYUDHWBXSA-N 2 1 244.379 1.410 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000852746426 588698031 /nfs/dbraw/zinc/69/80/31/588698031.db2.gz LBWXKZUQTGMLCV-GHMZBOCLSA-N 2 1 248.317 1.690 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000852746426 588698032 /nfs/dbraw/zinc/69/80/32/588698032.db2.gz LBWXKZUQTGMLCV-GHMZBOCLSA-N 2 1 248.317 1.690 20 0 BDADMP CC[C@@H]1C[N@H+](CCOC(F)F)CC[C@@H]1[NH3+] ZINC000852748221 588699515 /nfs/dbraw/zinc/69/95/15/588699515.db2.gz NJKJVTCPVYOYBQ-BDAKNGLRSA-N 2 1 222.279 1.285 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOC(F)F)CC[C@@H]1[NH3+] ZINC000852748221 588699516 /nfs/dbraw/zinc/69/95/16/588699516.db2.gz NJKJVTCPVYOYBQ-BDAKNGLRSA-N 2 1 222.279 1.285 20 0 BDADMP CO[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852751293 588700332 /nfs/dbraw/zinc/70/03/32/588700332.db2.gz WHYGFSXCVMTGKA-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852751293 588700333 /nfs/dbraw/zinc/70/03/33/588700333.db2.gz WHYGFSXCVMTGKA-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCCCCC[NH3+])C1 ZINC000852760136 588700654 /nfs/dbraw/zinc/70/06/54/588700654.db2.gz AZRJYSHLOXRTRK-TXEJJXNPSA-N 2 1 242.363 1.389 20 0 BDADMP Cc1c(C[NH2+]CC2=CC[N@@H+](C)CC2)ccnc1F ZINC000862293814 589200302 /nfs/dbraw/zinc/20/03/02/589200302.db2.gz QKZXKJWHFLQIKU-UHFFFAOYSA-N 2 1 249.333 1.881 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000863652900 589307320 /nfs/dbraw/zinc/30/73/20/589307320.db2.gz YLQFDCRZILQVSC-GFCCVEGCSA-N 2 1 248.370 1.833 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000863652900 589307322 /nfs/dbraw/zinc/30/73/22/589307322.db2.gz YLQFDCRZILQVSC-GFCCVEGCSA-N 2 1 248.370 1.833 20 0 BDADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864451264 589364619 /nfs/dbraw/zinc/36/46/19/589364619.db2.gz GQIUJWIOSSODOR-LBPRGKRZSA-N 2 1 238.379 1.242 20 0 BDADMP [NH2+]=C(NCCC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000864463907 589370203 /nfs/dbraw/zinc/37/02/03/589370203.db2.gz MTJHWQORKGVEJN-LLVKDONJSA-N 2 1 247.346 1.112 20 0 BDADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000864465774 589371023 /nfs/dbraw/zinc/37/10/23/589371023.db2.gz COJBIPKKKKRKJT-WOPDTQHZSA-N 2 1 238.379 1.241 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864468837 589372441 /nfs/dbraw/zinc/37/24/41/589372441.db2.gz JHHORLZXMIAELS-NWDGAFQWSA-N 2 1 240.395 1.487 20 0 BDADMP Cn1ncc2cc(C[NH2+]CCC[NH+](C)C)cnc21 ZINC000865397414 589431937 /nfs/dbraw/zinc/43/19/37/589431937.db2.gz GXHDZJXISXFXOG-UHFFFAOYSA-N 2 1 247.346 1.010 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000865695183 589456513 /nfs/dbraw/zinc/45/65/13/589456513.db2.gz XYAIYMBUSLNBAN-KYYPQDQFSA-N 2 1 236.359 1.094 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H](O)C2CCCC2)CC1 ZINC000865875708 589465508 /nfs/dbraw/zinc/46/55/08/589465508.db2.gz LBQUAHDQSYHQRZ-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866204825 589480307 /nfs/dbraw/zinc/48/03/07/589480307.db2.gz GNNBCWNLCLUBOL-OLZOCXBDSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866204825 589480308 /nfs/dbraw/zinc/48/03/08/589480308.db2.gz GNNBCWNLCLUBOL-OLZOCXBDSA-N 2 1 231.343 1.920 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c(CO)c3)CC[C@H]21 ZINC000866208964 589480725 /nfs/dbraw/zinc/48/07/25/589480725.db2.gz MCFQAXQLYLPDSV-BXUZGUMPSA-N 2 1 247.342 1.104 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1SCCS1 ZINC000866681694 589511341 /nfs/dbraw/zinc/51/13/41/589511341.db2.gz BAENJWUGIOVOJL-DTWKUNHWSA-N 2 1 232.418 1.604 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC1SCCS1 ZINC000866681694 589511342 /nfs/dbraw/zinc/51/13/42/589511342.db2.gz BAENJWUGIOVOJL-DTWKUNHWSA-N 2 1 232.418 1.604 20 0 BDADMP Nc1ccc2c(c1)OCC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000866689180 589512189 /nfs/dbraw/zinc/51/21/89/589512189.db2.gz FZIQDPAZLGPMGV-LLVKDONJSA-N 2 1 247.342 1.073 20 0 BDADMP Nc1ccc2c(c1)OCC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000866689180 589512191 /nfs/dbraw/zinc/51/21/91/589512191.db2.gz FZIQDPAZLGPMGV-LLVKDONJSA-N 2 1 247.342 1.073 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697753 589512565 /nfs/dbraw/zinc/51/25/65/589512565.db2.gz XXBLKELUOLBVLO-CYBMUJFWSA-N 2 1 226.364 1.759 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866703749 589513302 /nfs/dbraw/zinc/51/33/02/589513302.db2.gz LQEWNJLAVGMTNW-GHMZBOCLSA-N 2 1 214.378 1.281 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704822 589514117 /nfs/dbraw/zinc/51/41/17/589514117.db2.gz YDSIRIUSPOGDQB-SDDRHHMPSA-N 2 1 226.389 1.281 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000866707192 589514391 /nfs/dbraw/zinc/51/43/91/589514391.db2.gz SYZIWFPUEFUQEZ-OCCSQVGLSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@H]([NH3+])CC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867998573 589543018 /nfs/dbraw/zinc/54/30/18/589543018.db2.gz DKLMZWBJSKRJBS-GWCFXTLKSA-N 2 1 247.342 1.027 20 0 BDADMP C[C@H]([NH3+])CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867998573 589543019 /nfs/dbraw/zinc/54/30/19/589543019.db2.gz DKLMZWBJSKRJBS-GWCFXTLKSA-N 2 1 247.342 1.027 20 0 BDADMP COCCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784337 589818482 /nfs/dbraw/zinc/81/84/82/589818482.db2.gz ASEOKGKFRGTYRU-FGWVZKOKSA-N 2 1 241.335 1.004 20 0 BDADMP COCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784337 589818483 /nfs/dbraw/zinc/81/84/83/589818483.db2.gz ASEOKGKFRGTYRU-FGWVZKOKSA-N 2 1 241.335 1.004 20 0 BDADMP COCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784337 589818485 /nfs/dbraw/zinc/81/84/85/589818485.db2.gz ASEOKGKFRGTYRU-FGWVZKOKSA-N 2 1 241.335 1.004 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)CC ZINC000872032982 589857365 /nfs/dbraw/zinc/85/73/65/589857365.db2.gz DPYGRVIMDAVLAY-RYUDHWBXSA-N 2 1 230.396 1.713 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141871 589882533 /nfs/dbraw/zinc/88/25/33/589882533.db2.gz XJHWUSKGPVEATO-QWHCGFSZSA-N 2 1 238.375 1.616 20 0 BDADMP C[N@H+](C[C@H]1CC2(CCC2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000872142983 589883472 /nfs/dbraw/zinc/88/34/72/589883472.db2.gz IEDPTSTYWACXIG-OLZOCXBDSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000872142983 589883475 /nfs/dbraw/zinc/88/34/75/589883475.db2.gz IEDPTSTYWACXIG-OLZOCXBDSA-N 2 1 238.375 1.615 20 0 BDADMP FC(F)[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000872146167 589884750 /nfs/dbraw/zinc/88/47/50/589884750.db2.gz HIFNQVUQLAZDCP-QWRGUYRKSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000872146167 589884752 /nfs/dbraw/zinc/88/47/52/589884752.db2.gz HIFNQVUQLAZDCP-QWRGUYRKSA-N 2 1 248.317 1.342 20 0 BDADMP Cc1csc([C@@H]2CC[N@@H+](CCC[NH3+])C2)n1 ZINC000872150042 589885529 /nfs/dbraw/zinc/88/55/29/589885529.db2.gz XLZQQFVOQAMMRA-SNVBAGLBSA-N 2 1 225.361 1.590 20 0 BDADMP COC(=O)CC[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000872154792 589886028 /nfs/dbraw/zinc/88/60/28/589886028.db2.gz ZDZVITBMZWQFCG-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000872154500 589886340 /nfs/dbraw/zinc/88/63/40/589886340.db2.gz VTOBSHVMTMGZST-UONOGXRCSA-N 3 1 239.407 1.437 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)n1 ZINC000872154573 589886373 /nfs/dbraw/zinc/88/63/73/589886373.db2.gz XFWNGQJSXWMKRT-LSDHHAIUSA-N 2 1 245.370 1.740 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)n1 ZINC000872154573 589886375 /nfs/dbraw/zinc/88/63/75/589886375.db2.gz XFWNGQJSXWMKRT-LSDHHAIUSA-N 2 1 245.370 1.740 20 0 BDADMP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1F)C[NH+]1CCCC1 ZINC000872219059 589896180 /nfs/dbraw/zinc/89/61/80/589896180.db2.gz QWUWFZUYURRZRE-FRRDWIJNSA-N 2 1 244.354 1.313 20 0 BDADMP CC[C@H]1COCC[N@@H+]1CCNc1cc[nH+]c(C)c1 ZINC000872772212 589967724 /nfs/dbraw/zinc/96/77/24/589967724.db2.gz QPKXVAABQUFMNN-AWEZNQCLSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@H]1COCC[N@H+]1CCNc1cc[nH+]c(C)c1 ZINC000872772212 589967727 /nfs/dbraw/zinc/96/77/27/589967727.db2.gz QPKXVAABQUFMNN-AWEZNQCLSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@@](C)(CC(=O)OC)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000873208139 589993651 /nfs/dbraw/zinc/99/36/51/589993651.db2.gz CFFUBNQMGNDVBW-YDGIUTOCSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2cnc(N)cn2)[C@H]1CC[NH3+] ZINC000873213564 589996949 /nfs/dbraw/zinc/99/69/49/589996949.db2.gz HTDIMQYGWIQZHT-JQWIXIFHSA-N 2 1 249.362 1.008 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cnc(N)cn2)[C@H]1CC[NH3+] ZINC000873213564 589996950 /nfs/dbraw/zinc/99/69/50/589996950.db2.gz HTDIMQYGWIQZHT-JQWIXIFHSA-N 2 1 249.362 1.008 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220359 589998865 /nfs/dbraw/zinc/99/88/65/589998865.db2.gz LHNUADRYMGTCCQ-DGCLKSJQSA-N 2 1 227.396 1.338 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccnn1C ZINC000873223028 589999291 /nfs/dbraw/zinc/99/92/91/589999291.db2.gz JNCMZINSXZKPOI-WDEREUQCSA-N 2 1 222.336 1.213 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234030 590003506 /nfs/dbraw/zinc/00/35/06/590003506.db2.gz BFYLAGHYTPBCHU-QWHCGFSZSA-N 2 1 242.407 1.905 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236503 590004134 /nfs/dbraw/zinc/00/41/34/590004134.db2.gz HQJXQJQZMGALTL-UPJWGTAASA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)[C@@H]1CCC[NH2+]1 ZINC000873238548 590005091 /nfs/dbraw/zinc/00/50/91/590005091.db2.gz BFYUXSUGYATYJI-WGSKYGEUSA-N 2 1 236.359 1.140 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000873248484 590006781 /nfs/dbraw/zinc/00/67/81/590006781.db2.gz BJMZCZRMJCKUKG-ZUWCUPBKSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000873248484 590006783 /nfs/dbraw/zinc/00/67/83/590006783.db2.gz BJMZCZRMJCKUKG-ZUWCUPBKSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249841 590007732 /nfs/dbraw/zinc/00/77/32/590007732.db2.gz MUXBTGFGENATCX-MHEUCROKSA-N 2 1 247.386 1.272 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252453 590008822 /nfs/dbraw/zinc/00/88/22/590008822.db2.gz RXHCFJXCWMIEFN-QNSHHTMESA-N 2 1 208.309 1.106 20 0 BDADMP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1c[nH+]ccc1N ZINC000873270733 590016326 /nfs/dbraw/zinc/01/63/26/590016326.db2.gz BDMPVJPBQGBFRP-QWRGUYRKSA-N 3 1 248.374 1.533 20 0 BDADMP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873280436 590017503 /nfs/dbraw/zinc/01/75/03/590017503.db2.gz AOMGOVBVSCMBQF-QMVSFRDZSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000873281337 590018358 /nfs/dbraw/zinc/01/83/58/590018358.db2.gz HSJAMMAGIZQRIF-IJLUTSLNSA-N 2 1 226.364 1.532 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)CC[C@H]21 ZINC000877739447 590407141 /nfs/dbraw/zinc/40/71/41/590407141.db2.gz GCSHGMQYMVLMHO-CHWSQXEVSA-N 2 1 247.342 1.313 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)CC[C@H]21 ZINC000877739447 590407143 /nfs/dbraw/zinc/40/71/43/590407143.db2.gz GCSHGMQYMVLMHO-CHWSQXEVSA-N 2 1 247.342 1.313 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)CC[C@H]21 ZINC000877739447 590407145 /nfs/dbraw/zinc/40/71/45/590407145.db2.gz GCSHGMQYMVLMHO-CHWSQXEVSA-N 2 1 247.342 1.313 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)CC[C@H]21 ZINC000877739447 590407148 /nfs/dbraw/zinc/40/71/48/590407148.db2.gz GCSHGMQYMVLMHO-CHWSQXEVSA-N 2 1 247.342 1.313 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCO3)CC[C@@H]21 ZINC000877742082 590409885 /nfs/dbraw/zinc/40/98/85/590409885.db2.gz OKONTYMDENYIAI-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCCO3)CC[C@@H]21 ZINC000877742082 590409888 /nfs/dbraw/zinc/40/98/88/590409888.db2.gz OKONTYMDENYIAI-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)CC[C@@H]21 ZINC000877742082 590409893 /nfs/dbraw/zinc/40/98/93/590409893.db2.gz OKONTYMDENYIAI-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)=CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743885 590411210 /nfs/dbraw/zinc/41/12/10/590411210.db2.gz YUZCOTBWIPSXLR-OLZOCXBDSA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743885 590411212 /nfs/dbraw/zinc/41/12/12/590411212.db2.gz YUZCOTBWIPSXLR-OLZOCXBDSA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743885 590411214 /nfs/dbraw/zinc/41/12/14/590411214.db2.gz YUZCOTBWIPSXLR-OLZOCXBDSA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743885 590411217 /nfs/dbraw/zinc/41/12/17/590411217.db2.gz YUZCOTBWIPSXLR-OLZOCXBDSA-N 2 1 208.349 1.979 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCOC3)CC[C@H]21 ZINC000877743300 590412252 /nfs/dbraw/zinc/41/22/52/590412252.db2.gz VGTIWNFRRFHHJO-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCOC3)CC[C@H]21 ZINC000877743300 590412253 /nfs/dbraw/zinc/41/22/53/590412253.db2.gz VGTIWNFRRFHHJO-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCOC3)CC[C@H]21 ZINC000877743300 590412254 /nfs/dbraw/zinc/41/22/54/590412254.db2.gz VGTIWNFRRFHHJO-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)CC[C@H]21 ZINC000877743300 590412255 /nfs/dbraw/zinc/41/22/55/590412255.db2.gz VGTIWNFRRFHHJO-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)[C@@H](O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000878125200 590501432 /nfs/dbraw/zinc/50/14/32/590501432.db2.gz NVLUDHBEVPCPRL-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@@H](O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000878125200 590501433 /nfs/dbraw/zinc/50/14/33/590501433.db2.gz NVLUDHBEVPCPRL-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@@H](O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878125200 590501434 /nfs/dbraw/zinc/50/14/34/590501434.db2.gz NVLUDHBEVPCPRL-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167258 590513495 /nfs/dbraw/zinc/51/34/95/590513495.db2.gz RBMYRHCLKSRUQC-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167258 590513497 /nfs/dbraw/zinc/51/34/97/590513497.db2.gz RBMYRHCLKSRUQC-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167258 590513499 /nfs/dbraw/zinc/51/34/99/590513499.db2.gz RBMYRHCLKSRUQC-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000878645074 590600525 /nfs/dbraw/zinc/60/05/25/590600525.db2.gz HIJXSLJPRWSZOR-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)[C@H](O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000878693611 590610396 /nfs/dbraw/zinc/61/03/96/590610396.db2.gz XCJHOISSLSMMRR-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529712 590790795 /nfs/dbraw/zinc/79/07/95/590790795.db2.gz CWTYPUKASSGKQS-HZSPNIEDSA-N 2 1 238.375 1.197 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529712 590790796 /nfs/dbraw/zinc/79/07/96/590790796.db2.gz CWTYPUKASSGKQS-HZSPNIEDSA-N 2 1 238.375 1.197 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529712 590790799 /nfs/dbraw/zinc/79/07/99/590790799.db2.gz CWTYPUKASSGKQS-HZSPNIEDSA-N 2 1 238.375 1.197 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529712 590790802 /nfs/dbraw/zinc/79/08/02/590790802.db2.gz CWTYPUKASSGKQS-HZSPNIEDSA-N 2 1 238.375 1.197 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccn3)CC[C@@H]21 ZINC000879570067 590806026 /nfs/dbraw/zinc/80/60/26/590806026.db2.gz WZVGWYUUZXSQCB-HIFRSBDPSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccccn3)CC[C@@H]21 ZINC000879570067 590806021 /nfs/dbraw/zinc/80/60/21/590806021.db2.gz WZVGWYUUZXSQCB-HIFRSBDPSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccn3)CC[C@@H]21 ZINC000879570067 590806029 /nfs/dbraw/zinc/80/60/29/590806029.db2.gz WZVGWYUUZXSQCB-HIFRSBDPSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccn3)CC[C@@H]21 ZINC000879570067 590806034 /nfs/dbraw/zinc/80/60/34/590806034.db2.gz WZVGWYUUZXSQCB-HIFRSBDPSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCC3CC3)CC[C@@H]21 ZINC000879573758 590808957 /nfs/dbraw/zinc/80/89/57/590808957.db2.gz QWJXWJANJWPUAJ-STQMWFEESA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC000879573758 590808960 /nfs/dbraw/zinc/80/89/60/590808960.db2.gz QWJXWJANJWPUAJ-STQMWFEESA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC000879573758 590808963 /nfs/dbraw/zinc/80/89/63/590808963.db2.gz QWJXWJANJWPUAJ-STQMWFEESA-N 2 1 208.349 1.813 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571792 590810737 /nfs/dbraw/zinc/81/07/37/590810737.db2.gz CCOHGODYLZOPPE-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571792 590810739 /nfs/dbraw/zinc/81/07/39/590810739.db2.gz CCOHGODYLZOPPE-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879571792 590810743 /nfs/dbraw/zinc/81/07/43/590810743.db2.gz CCOHGODYLZOPPE-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571792 590810745 /nfs/dbraw/zinc/81/07/45/590810745.db2.gz CCOHGODYLZOPPE-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580044 590818506 /nfs/dbraw/zinc/81/85/06/590818506.db2.gz DPYYZRVZYVEYIW-KBPBESRZSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580044 590818509 /nfs/dbraw/zinc/81/85/09/590818509.db2.gz DPYYZRVZYVEYIW-KBPBESRZSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580044 590818513 /nfs/dbraw/zinc/81/85/13/590818513.db2.gz DPYYZRVZYVEYIW-KBPBESRZSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580044 590818518 /nfs/dbraw/zinc/81/85/18/590818518.db2.gz DPYYZRVZYVEYIW-KBPBESRZSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580867 590820410 /nfs/dbraw/zinc/82/04/10/590820410.db2.gz VDCBAHXXZBFNKK-MGPQQGTHSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580867 590820413 /nfs/dbraw/zinc/82/04/13/590820413.db2.gz VDCBAHXXZBFNKK-MGPQQGTHSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580867 590820419 /nfs/dbraw/zinc/82/04/19/590820419.db2.gz VDCBAHXXZBFNKK-MGPQQGTHSA-N 2 1 240.391 1.419 20 0 BDADMP COC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583399 590821910 /nfs/dbraw/zinc/82/19/10/590821910.db2.gz YPDDBKMRTFVIBW-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583399 590821913 /nfs/dbraw/zinc/82/19/13/590821913.db2.gz YPDDBKMRTFVIBW-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583399 590821916 /nfs/dbraw/zinc/82/19/16/590821916.db2.gz YPDDBKMRTFVIBW-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583399 590821919 /nfs/dbraw/zinc/82/19/19/590821919.db2.gz YPDDBKMRTFVIBW-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622700 590836452 /nfs/dbraw/zinc/83/64/52/590836452.db2.gz MMWFHKLCYWQFEH-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622700 590836456 /nfs/dbraw/zinc/83/64/56/590836456.db2.gz MMWFHKLCYWQFEH-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H](O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259379 590978771 /nfs/dbraw/zinc/97/87/71/590978771.db2.gz RHWGTANXJFBVNI-STQMWFEESA-N 2 1 249.358 1.363 20 0 BDADMP CC(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260351 590980864 /nfs/dbraw/zinc/98/08/64/590980864.db2.gz BMLZDYGEXYAOJW-GFCCVEGCSA-N 2 1 247.342 1.571 20 0 BDADMP Cn1c2ccccc2[nH+]c1NC[C@H]([NH3+])C1CC1 ZINC000129303814 591275857 /nfs/dbraw/zinc/27/58/57/591275857.db2.gz GBHJXISDVHOOFQ-JTQLQIEISA-N 2 1 230.315 1.723 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCCOC(F)(F)F)C1CC1 ZINC000883418450 591654495 /nfs/dbraw/zinc/65/44/95/591654495.db2.gz IQIWMZPOMAWGIJ-VIFPVBQESA-N 2 1 240.269 1.630 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000883442346 591670141 /nfs/dbraw/zinc/67/01/41/591670141.db2.gz JOJCIDQTLQMDPK-NXEZZACHSA-N 2 1 239.750 1.950 20 0 BDADMP C[C@]1(c2ccccc2)CCC[N@H+]1CCOCC[NH3+] ZINC000883460082 591673688 /nfs/dbraw/zinc/67/36/88/591673688.db2.gz OPWIOXWLSSVKDK-OAHLLOKOSA-N 2 1 248.370 1.973 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886829435 592350414 /nfs/dbraw/zinc/35/04/14/592350414.db2.gz AFSBHTZEDXHHDU-MROQNXINSA-N 2 1 224.348 1.082 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832966 592355577 /nfs/dbraw/zinc/35/55/77/592355577.db2.gz QRANYWUFSKQWBS-IHRRRGAJSA-N 2 1 236.359 1.098 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000886841605 592363632 /nfs/dbraw/zinc/36/36/32/592363632.db2.gz QSLLRKGFQZFXGI-RFGFWPKPSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000886841605 592363635 /nfs/dbraw/zinc/36/36/35/592363635.db2.gz QSLLRKGFQZFXGI-RFGFWPKPSA-N 2 1 236.359 1.239 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1C[C@@]12CCOC2 ZINC000886841555 592364181 /nfs/dbraw/zinc/36/41/81/592364181.db2.gz OTPWDPAZWAQENS-UONOGXRCSA-N 2 1 240.391 1.864 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859841 592372823 /nfs/dbraw/zinc/37/28/23/592372823.db2.gz HDGVUBVSASBEGR-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870007 592375826 /nfs/dbraw/zinc/37/58/26/592375826.db2.gz NFGOVWMITRKCJY-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1nocc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874240 592377169 /nfs/dbraw/zinc/37/71/69/592377169.db2.gz JTXYILMYWSMGEI-CQSZACIVSA-N 2 1 249.358 1.949 20 0 BDADMP Cc1nocc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874240 592377173 /nfs/dbraw/zinc/37/71/73/592377173.db2.gz JTXYILMYWSMGEI-CQSZACIVSA-N 2 1 249.358 1.949 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872480 592378175 /nfs/dbraw/zinc/37/81/75/592378175.db2.gz SYQZLIMOVJOACB-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(O)c(F)c1 ZINC000221188800 592398519 /nfs/dbraw/zinc/39/85/19/592398519.db2.gz ZGNPWWMFWKXCQT-JTQLQIEISA-N 2 1 240.322 1.961 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCF ZINC000887132556 592449225 /nfs/dbraw/zinc/44/92/25/592449225.db2.gz IHQKSCWXPHBJCB-GFCCVEGCSA-N 2 1 237.322 1.952 20 0 BDADMP C[C@@H]1C[N@H+](CCSC(F)(F)F)CC[C@@H]1[NH3+] ZINC000123628975 592714455 /nfs/dbraw/zinc/71/44/55/592714455.db2.gz AONWDBIYWIUCGW-SFYZADRCSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@@H]1C[N@@H+](CCSC(F)(F)F)CC[C@@H]1[NH3+] ZINC000123628975 592714457 /nfs/dbraw/zinc/71/44/57/592714457.db2.gz AONWDBIYWIUCGW-SFYZADRCSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@H]([NH3+])[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000925708829 634404400 /nfs/dbraw/zinc/40/44/00/634404400.db2.gz NZPFWOXOEATGIV-OBJOEFQTSA-N 2 1 235.375 1.792 20 0 BDADMP C[C@H](N)[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925708829 634404406 /nfs/dbraw/zinc/40/44/06/634404406.db2.gz NZPFWOXOEATGIV-OBJOEFQTSA-N 2 1 235.375 1.792 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000925710601 634406947 /nfs/dbraw/zinc/40/69/47/634406947.db2.gz QHLULAHMINSWSZ-YRGRVCCFSA-N 3 1 235.375 1.792 20 0 BDADMP C[C@@H]([NH3+])[C@@H](N[C@H](C)CCC[NH3+])c1ccccc1 ZINC000925710601 634406951 /nfs/dbraw/zinc/40/69/51/634406951.db2.gz QHLULAHMINSWSZ-YRGRVCCFSA-N 2 1 235.375 1.792 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](CC[NH3+])C2)O1 ZINC000299991637 634406957 /nfs/dbraw/zinc/40/69/57/634406957.db2.gz DFADWCSFRGRWNB-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257731724 634487231 /nfs/dbraw/zinc/48/72/31/634487231.db2.gz XHAZDQVFOVRNOO-ZIAGYGMSSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CC[NH2+]CC1 ZINC000925730239 634554509 /nfs/dbraw/zinc/55/45/09/634554509.db2.gz VDQBRIGLPZNCIK-DMDPSCGWSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCCCCC[NH3+] ZINC000310182601 635331789 /nfs/dbraw/zinc/33/17/89/635331789.db2.gz WSLNZONMQZWKOC-VXGBXAGGSA-N 2 1 241.379 1.091 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226422656 635434519 /nfs/dbraw/zinc/43/45/19/635434519.db2.gz UHJHQQPGXSMNLD-QWHCGFSZSA-N 2 1 228.380 1.598 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000227708884 635453007 /nfs/dbraw/zinc/45/30/07/635453007.db2.gz ANHRISKKBFTKIY-MRVWCRGKSA-N 2 1 234.343 1.532 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925834633 635483141 /nfs/dbraw/zinc/48/31/41/635483141.db2.gz XTMDGDGITLPDPC-AAVRWANBSA-N 2 1 238.375 1.676 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000925881199 635609162 /nfs/dbraw/zinc/60/91/62/635609162.db2.gz YZSJHPYWEARMRJ-XJFOESAGSA-N 2 1 239.407 1.624 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCCC(C)(C)C)C1CC1 ZINC000313461611 631269623 /nfs/dbraw/zinc/26/96/23/631269623.db2.gz OSKFDLOVPDRGHH-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCC(C)(C)C)C1CC1 ZINC000313461611 631269626 /nfs/dbraw/zinc/26/96/26/631269626.db2.gz OSKFDLOVPDRGHH-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933376863 631342641 /nfs/dbraw/zinc/34/26/41/631342641.db2.gz YGZAHYOVRIGYPJ-CYBMUJFWSA-N 2 1 249.358 1.883 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000082570938 631408471 /nfs/dbraw/zinc/40/84/71/631408471.db2.gz SHHVDLMIPCOUBX-RISCZKNCSA-N 2 1 216.328 1.858 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088106536 631486738 /nfs/dbraw/zinc/48/67/38/631486738.db2.gz ZUZVDHKAOXCOBF-NSHDSACASA-N 2 1 234.343 1.443 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088106536 631486743 /nfs/dbraw/zinc/48/67/43/631486743.db2.gz ZUZVDHKAOXCOBF-NSHDSACASA-N 2 1 234.343 1.443 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000322401580 631543538 /nfs/dbraw/zinc/54/35/38/631543538.db2.gz VCMXVCHFPCDXIT-JWURUJNWSA-N 2 1 238.375 1.769 20 0 BDADMP CC[C@]1(C)C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000893907498 635634759 /nfs/dbraw/zinc/63/47/59/635634759.db2.gz MEBOZTXINYRFND-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@H]1C ZINC000893899533 635634791 /nfs/dbraw/zinc/63/47/91/635634791.db2.gz CUMCUJJSPBGXBU-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)(C)SCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308787814 631648754 /nfs/dbraw/zinc/64/87/54/631648754.db2.gz HBRJPAWPJBHHRR-PHIMTYICSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@H]1C[C@@H](NCCC(C)(C)[NH3+])CC[N@H+]1C ZINC000308969609 631774907 /nfs/dbraw/zinc/77/49/07/631774907.db2.gz ONGUOWSKSYNQKV-QWRGUYRKSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000308969609 631774911 /nfs/dbraw/zinc/77/49/11/631774911.db2.gz ONGUOWSKSYNQKV-QWRGUYRKSA-N 3 1 213.369 1.186 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CC[N@H+]1C ZINC000308969609 631774913 /nfs/dbraw/zinc/77/49/13/631774913.db2.gz ONGUOWSKSYNQKV-QWRGUYRKSA-N 3 1 213.369 1.186 20 0 BDADMP CCC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056087 631833701 /nfs/dbraw/zinc/83/37/01/631833701.db2.gz BKHSZXGZPGVZHT-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056087 631833708 /nfs/dbraw/zinc/83/37/08/631833708.db2.gz BKHSZXGZPGVZHT-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000091395092 631957787 /nfs/dbraw/zinc/95/77/87/631957787.db2.gz FNOLZKMISFSQRB-CQSZACIVSA-N 2 1 241.423 1.922 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000091395092 631957795 /nfs/dbraw/zinc/95/77/95/631957795.db2.gz FNOLZKMISFSQRB-CQSZACIVSA-N 2 1 241.423 1.922 20 0 BDADMP c1csc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000309286368 631991912 /nfs/dbraw/zinc/99/19/12/631991912.db2.gz OUHKAIWGAXBPGK-WCQYABFASA-N 2 1 236.384 1.974 20 0 BDADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052043917 632052095 /nfs/dbraw/zinc/05/20/95/632052095.db2.gz LDENLHBKLBIHAN-SNVBAGLBSA-N 2 1 226.368 1.241 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)C1CCC1 ZINC000926552954 632491109 /nfs/dbraw/zinc/49/11/09/632491109.db2.gz PUAZNIPYGUKWEZ-RBKKPWLPSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000309734897 632662658 /nfs/dbraw/zinc/66/26/58/632662658.db2.gz CCWDOYQQCUEEGB-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CCC[N@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000309734897 632662662 /nfs/dbraw/zinc/66/26/62/632662662.db2.gz CCWDOYQQCUEEGB-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310087667 632698648 /nfs/dbraw/zinc/69/86/48/632698648.db2.gz HRANCJWKCRQBML-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310087667 632698652 /nfs/dbraw/zinc/69/86/52/632698652.db2.gz HRANCJWKCRQBML-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000310082811 632700872 /nfs/dbraw/zinc/70/08/72/632700872.db2.gz KQPKKVWPTIBQOL-KBPBESRZSA-N 2 1 240.391 1.598 20 0 BDADMP CC[N@@H+]1CCCC[C@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000892461034 632730289 /nfs/dbraw/zinc/73/02/89/632730289.db2.gz XQGOQNSKIZUCST-NSHDSACASA-N 2 1 249.362 1.654 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000892461034 632730295 /nfs/dbraw/zinc/73/02/95/632730295.db2.gz XQGOQNSKIZUCST-NSHDSACASA-N 2 1 249.362 1.654 20 0 BDADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000924574820 632941466 /nfs/dbraw/zinc/94/14/66/632941466.db2.gz GCESBBMEFFGGKV-UONOGXRCSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](O)CCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000309423453 633054011 /nfs/dbraw/zinc/05/40/11/633054011.db2.gz YHVAEEPVKKBZNJ-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)CCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000309423453 633054015 /nfs/dbraw/zinc/05/40/15/633054015.db2.gz YHVAEEPVKKBZNJ-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)CCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000309423453 633054018 /nfs/dbraw/zinc/05/40/18/633054018.db2.gz YHVAEEPVKKBZNJ-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1C ZINC000299904463 635893360 /nfs/dbraw/zinc/89/33/60/635893360.db2.gz FIPIVYQXKZEJCS-FVCCEPFGSA-N 2 1 226.364 1.199 20 0 BDADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000309441236 633076551 /nfs/dbraw/zinc/07/65/51/633076551.db2.gz ZNDMTRJHACRQJC-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000306999911 635978981 /nfs/dbraw/zinc/97/89/81/635978981.db2.gz ABNLTJMCCOHVHZ-GARJFASQSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CS1 ZINC000307528181 635989928 /nfs/dbraw/zinc/98/99/28/635989928.db2.gz KTVNYEZXRDKEPU-ZNSHCXBVSA-N 2 1 214.378 1.611 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@@H](NCC[NH+]2CCCC2)C1 ZINC000925509289 633846330 /nfs/dbraw/zinc/84/63/30/633846330.db2.gz NCWUMTLUNYWNKR-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)nc1 ZINC000309571405 633955486 /nfs/dbraw/zinc/95/54/86/633955486.db2.gz NROTVZISPSIQSC-SNVBAGLBSA-N 2 1 225.311 1.651 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925550455 633996165 /nfs/dbraw/zinc/99/61/65/633996165.db2.gz MPVBHHYCGLSLAZ-STQMWFEESA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309983957 634028139 /nfs/dbraw/zinc/02/81/39/634028139.db2.gz YARCZRZJEUPNAY-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309983957 634028143 /nfs/dbraw/zinc/02/81/43/634028143.db2.gz YARCZRZJEUPNAY-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925565758 634060097 /nfs/dbraw/zinc/06/00/97/634060097.db2.gz XSXYQKCQQUIVHM-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925585670 634094225 /nfs/dbraw/zinc/09/42/25/634094225.db2.gz JGPNFHJXJJZRGP-RKDXNWHRSA-N 2 1 202.367 1.468 20 0 BDADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1(C)CCC1 ZINC000390271337 634175888 /nfs/dbraw/zinc/17/58/88/634175888.db2.gz RTDCSEAXPUPKNA-UHFFFAOYSA-N 2 1 225.380 1.014 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n[nH]1 ZINC000925619549 634176063 /nfs/dbraw/zinc/17/60/63/634176063.db2.gz OVRDUQVKTNYJCG-ZWKOPEQDSA-N 2 1 248.374 1.509 20 0 BDADMP C1=CC[N@@H+](CCN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925662461 634227869 /nfs/dbraw/zinc/22/78/69/634227869.db2.gz ILXMPYACESMOGE-ZDUSSCGKSA-N 2 1 235.375 1.123 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925678547 634273577 /nfs/dbraw/zinc/27/35/77/634273577.db2.gz FRWQTWXQQKFBBD-VXGBXAGGSA-N 2 1 226.364 1.676 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCOC1 ZINC000925679666 634275630 /nfs/dbraw/zinc/27/56/30/634275630.db2.gz LDUSRRFODRMXHR-LBPRGKRZSA-N 2 1 222.332 1.207 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000193951621 634298774 /nfs/dbraw/zinc/29/87/74/634298774.db2.gz MEXJAPOOADEFHW-OLZOCXBDSA-N 2 1 224.348 1.563 20 0 BDADMP CO[C@@H]([C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925692048 634322941 /nfs/dbraw/zinc/32/29/41/634322941.db2.gz YRSUAYZKIGGSLK-WXHSDQCUSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925692527 634325882 /nfs/dbraw/zinc/32/58/82/634325882.db2.gz MACMXUOTTWHTJP-HBNTYKKESA-N 3 1 213.369 1.219 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](CCc3cn[nH]c3)C[C@@]2(C)C1 ZINC000931314402 634332163 /nfs/dbraw/zinc/33/21/63/634332163.db2.gz NYVFYHLRJAOCRI-ZIAGYGMSSA-N 2 1 248.374 1.226 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000925700226 634370874 /nfs/dbraw/zinc/37/08/74/634370874.db2.gz NVVFQLCPDCOBOY-JHJVBQTASA-N 2 1 239.407 1.624 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000925702167 634377109 /nfs/dbraw/zinc/37/71/09/634377109.db2.gz AAIOQXGGWIDCHA-FTYKPCCVSA-N 2 1 208.349 1.905 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1OC ZINC000925780873 635272112 /nfs/dbraw/zinc/27/21/12/635272112.db2.gz BSVYUAGILODHHT-LPWJVIDDSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000925802389 635349747 /nfs/dbraw/zinc/34/97/47/635349747.db2.gz FXFNFBJIKWXEIZ-WZRBSPASSA-N 2 1 248.374 1.622 20 0 BDADMP CC(C)[N@@H+](C)CCNC1CC[NH+](C)CC1 ZINC000054110729 635388840 /nfs/dbraw/zinc/38/88/40/635388840.db2.gz OBDRRVCOWSMZAU-UHFFFAOYSA-N 2 1 213.369 1.010 20 0 BDADMP OCCCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310539461 636265429 /nfs/dbraw/zinc/26/54/29/636265429.db2.gz SEAAHGZRSBVOKX-UHFFFAOYSA-N 2 1 240.391 1.615 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC3=CCCOC3)C[C@]2(C)C1 ZINC000897621594 636826712 /nfs/dbraw/zinc/82/67/12/636826712.db2.gz KAIPNDXDSCHFQY-KGLIPLIRSA-N 2 1 236.359 1.217 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3=CCCOC3)C[C@]2(C)C1 ZINC000897621594 636826717 /nfs/dbraw/zinc/82/67/17/636826717.db2.gz KAIPNDXDSCHFQY-KGLIPLIRSA-N 2 1 236.359 1.217 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3=CCCOC3)C[C@]2(C)C1 ZINC000897621594 636826720 /nfs/dbraw/zinc/82/67/20/636826720.db2.gz KAIPNDXDSCHFQY-KGLIPLIRSA-N 2 1 236.359 1.217 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866722990 636934044 /nfs/dbraw/zinc/93/40/44/636934044.db2.gz DQILOAFYUUOSMF-UMSGYPCISA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866722990 636934046 /nfs/dbraw/zinc/93/40/46/636934046.db2.gz DQILOAFYUUOSMF-UMSGYPCISA-N 2 1 224.348 1.238 20 0 BDADMP CCO[C@H](C[NH2+][C@H](CC)[C@@H]1C[C@H]1C)C[NH+](C)C ZINC000926961583 636974914 /nfs/dbraw/zinc/97/49/14/636974914.db2.gz PMLUCIREIHWPCI-AAVRWANBSA-N 2 1 242.407 1.977 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000163548120 636993903 /nfs/dbraw/zinc/99/39/03/636993903.db2.gz OXILSYZLRFRXON-UNXYVOJBSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccnnc1 ZINC000924713389 637023600 /nfs/dbraw/zinc/02/36/00/637023600.db2.gz DFZXLCBSAWNQPC-QWHCGFSZSA-N 2 1 248.374 1.859 20 0 BDADMP CCCC[N@@H+](CCO)CCC[NH2+]C1CC1 ZINC000042494618 637273528 /nfs/dbraw/zinc/27/35/28/637273528.db2.gz DBXPLBHCCOHQMA-UHFFFAOYSA-N 2 1 214.353 1.223 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903437065 637360252 /nfs/dbraw/zinc/36/02/52/637360252.db2.gz CRPLIFVCNRRYRO-RDBSUJKOSA-N 2 1 240.391 1.590 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000903463842 637363874 /nfs/dbraw/zinc/36/38/74/637363874.db2.gz PMVUAKUVRMQILD-RNJOBUHISA-N 2 1 224.348 1.367 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903463910 637364291 /nfs/dbraw/zinc/36/42/91/637364291.db2.gz RXPJLQPITMZQDF-AWBNXSTOSA-N 2 1 242.313 1.701 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903463910 637364294 /nfs/dbraw/zinc/36/42/94/637364294.db2.gz RXPJLQPITMZQDF-AWBNXSTOSA-N 2 1 242.313 1.701 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463704 637364829 /nfs/dbraw/zinc/36/48/29/637364829.db2.gz JPIYYQWLDLINML-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903463704 637364834 /nfs/dbraw/zinc/36/48/34/637364834.db2.gz JPIYYQWLDLINML-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000903564490 637367701 /nfs/dbraw/zinc/36/77/01/637367701.db2.gz XEWOWIFZYBGJTJ-LBPRGKRZSA-N 2 1 236.363 1.209 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000903564490 637367709 /nfs/dbraw/zinc/36/77/09/637367709.db2.gz XEWOWIFZYBGJTJ-LBPRGKRZSA-N 2 1 236.363 1.209 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903566358 637371101 /nfs/dbraw/zinc/37/11/01/637371101.db2.gz QURWTGFDVUEEHK-GXTWGEPZSA-N 2 1 248.374 1.557 20 0 BDADMP C[N@@H+](CC1CC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722566 637379742 /nfs/dbraw/zinc/37/97/42/637379742.db2.gz MSQUFYCAQYXIOZ-ZDUSSCGKSA-N 2 1 238.375 1.487 20 0 BDADMP COC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904429288 637397707 /nfs/dbraw/zinc/39/77/07/637397707.db2.gz CBAGXVMSYRCZIE-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904429288 637397720 /nfs/dbraw/zinc/39/77/20/637397720.db2.gz CBAGXVMSYRCZIE-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000904448908 637414231 /nfs/dbraw/zinc/41/42/31/637414231.db2.gz DUEKKSUJLFMSRF-UHFFFAOYSA-N 2 1 227.311 1.816 20 0 BDADMP [NH3+]C1(C[NH2+]CCCCOc2ccccc2)CC1 ZINC000904445696 637415024 /nfs/dbraw/zinc/41/50/24/637415024.db2.gz ZITDOYTVKXOZKR-UHFFFAOYSA-N 2 1 234.343 1.927 20 0 BDADMP CC[C@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905317620 637744129 /nfs/dbraw/zinc/74/41/29/637744129.db2.gz JUZKEJGFQSNELP-VIFPVBQESA-N 2 1 224.308 1.022 20 0 BDADMP CC(C)[NH2+]Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000905308437 637765570 /nfs/dbraw/zinc/76/55/70/637765570.db2.gz JSTGEUXXXZOICT-UHFFFAOYSA-N 2 1 238.335 1.110 20 0 BDADMP [NH3+]C1(c2noc(/C=C\[C@H]3CCC[NH2+]C3)n2)CC1 ZINC000905329994 637778218 /nfs/dbraw/zinc/77/82/18/637778218.db2.gz HTWIHCDMWXSHBU-ZBJFTSOASA-N 2 1 234.303 1.030 20 0 BDADMP [NH3+]Cc1ccccc1-c1nc(C2([NH3+])CC2)no1 ZINC000905330281 637781163 /nfs/dbraw/zinc/78/11/63/637781163.db2.gz SOQZLJIOYXLHRS-UHFFFAOYSA-N 2 1 230.271 1.143 20 0 BDADMP CCCn1nc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1C ZINC000906517309 638188233 /nfs/dbraw/zinc/18/82/33/638188233.db2.gz MHCDKKHICQBMSM-HAQNSBGRSA-N 2 1 236.363 1.489 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000906518001 638188289 /nfs/dbraw/zinc/18/82/89/638188289.db2.gz MPXRUJDDMBTKFW-HAQNSBGRSA-N 2 1 242.326 1.452 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906519237 638188364 /nfs/dbraw/zinc/18/83/64/638188364.db2.gz VWZGOKLWGUXVBI-MGCOHNPYSA-N 2 1 208.309 1.043 20 0 BDADMP C[N@@H+](CCOC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930458689 639763137 /nfs/dbraw/zinc/76/31/37/639763137.db2.gz DAIMDXHJYYYASY-FUNVUKJBSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOC1CC1)C2 ZINC000930602289 639817085 /nfs/dbraw/zinc/81/70/85/639817085.db2.gz PGRUFIDUIDXOBX-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOC1CC1)C2 ZINC000930602289 639817086 /nfs/dbraw/zinc/81/70/86/639817086.db2.gz PGRUFIDUIDXOBX-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOC1CC1)C2 ZINC000930602289 639817087 /nfs/dbraw/zinc/81/70/87/639817087.db2.gz PGRUFIDUIDXOBX-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931277346 640128287 /nfs/dbraw/zinc/12/82/87/640128287.db2.gz JPDJUKBOERBJOS-QSLWVIQJSA-N 2 1 238.375 1.293 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931277346 640128293 /nfs/dbraw/zinc/12/82/93/640128293.db2.gz JPDJUKBOERBJOS-QSLWVIQJSA-N 2 1 238.375 1.293 20 0 BDADMP CO[C@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277985 640130390 /nfs/dbraw/zinc/13/03/90/640130390.db2.gz UYURRTXQHCBOEH-FHUSYTEZSA-N 2 1 224.348 1.046 20 0 BDADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277985 640130394 /nfs/dbraw/zinc/13/03/94/640130394.db2.gz UYURRTXQHCBOEH-FHUSYTEZSA-N 2 1 224.348 1.046 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931281335 640134322 /nfs/dbraw/zinc/13/43/22/640134322.db2.gz QWFITZJWMLHWCV-KVSVUVNWSA-N 2 1 224.348 1.046 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931281335 640134327 /nfs/dbraw/zinc/13/43/27/640134327.db2.gz QWFITZJWMLHWCV-KVSVUVNWSA-N 2 1 224.348 1.046 20 0 BDADMP COC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312727 640140281 /nfs/dbraw/zinc/14/02/81/640140281.db2.gz YVCKSSFLFOAMOV-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312727 640140286 /nfs/dbraw/zinc/14/02/86/640140286.db2.gz YVCKSSFLFOAMOV-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931312727 640140291 /nfs/dbraw/zinc/14/02/91/640140291.db2.gz YVCKSSFLFOAMOV-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931312727 640140295 /nfs/dbraw/zinc/14/02/95/640140295.db2.gz YVCKSSFLFOAMOV-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OC ZINC000931317046 640142350 /nfs/dbraw/zinc/14/23/50/640142350.db2.gz MNQAMVPLZCLQRE-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OC ZINC000931317046 640142354 /nfs/dbraw/zinc/14/23/54/640142354.db2.gz MNQAMVPLZCLQRE-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)OC ZINC000931317046 640142362 /nfs/dbraw/zinc/14/23/62/640142362.db2.gz MNQAMVPLZCLQRE-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)OC ZINC000931317046 640142364 /nfs/dbraw/zinc/14/23/64/640142364.db2.gz MNQAMVPLZCLQRE-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP Cn1c[nH+]cc1CCCN1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000931390718 640175198 /nfs/dbraw/zinc/17/51/98/640175198.db2.gz XYNDGQOORCUNST-OKILXGFUSA-N 2 1 248.374 1.131 20 0 BDADMP Cn1c[nH+]cc1CCCN1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000931390718 640175203 /nfs/dbraw/zinc/17/52/03/640175203.db2.gz XYNDGQOORCUNST-OKILXGFUSA-N 2 1 248.374 1.131 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442126 640207985 /nfs/dbraw/zinc/20/79/85/640207985.db2.gz VLCFXRWZLTUUQN-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@@H]1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442126 640207988 /nfs/dbraw/zinc/20/79/88/640207988.db2.gz VLCFXRWZLTUUQN-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@@H]1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442126 640207994 /nfs/dbraw/zinc/20/79/94/640207994.db2.gz VLCFXRWZLTUUQN-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461216 640221420 /nfs/dbraw/zinc/22/14/20/640221420.db2.gz RPCLWBNEIVVZNB-SNVBAGLBSA-N 2 1 245.330 1.534 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461216 640221427 /nfs/dbraw/zinc/22/14/27/640221427.db2.gz RPCLWBNEIVVZNB-SNVBAGLBSA-N 2 1 245.330 1.534 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517152 640246047 /nfs/dbraw/zinc/24/60/47/640246047.db2.gz TVWFSYIACRTMTG-WDEREUQCSA-N 2 1 247.342 1.447 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517152 640246053 /nfs/dbraw/zinc/24/60/53/640246053.db2.gz TVWFSYIACRTMTG-WDEREUQCSA-N 2 1 247.342 1.447 20 0 BDADMP CC(C)[C@H]1CN(CC[NH+]2CCCC2)CC[N@H+]1C ZINC000931549562 640271310 /nfs/dbraw/zinc/27/13/10/640271310.db2.gz FQGOVFOQEWPLMI-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP CCCCOC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513944 640398537 /nfs/dbraw/zinc/39/85/37/640398537.db2.gz YUDQBASOGOQBRE-UHFFFAOYSA-N 2 1 228.336 1.000 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCn2cccc2C1 ZINC000932528858 640570731 /nfs/dbraw/zinc/57/07/31/640570731.db2.gz SRCSODKVBKRNAY-UHFFFAOYSA-N 2 1 244.342 1.899 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCn2cccc2C1 ZINC000932528858 640570734 /nfs/dbraw/zinc/57/07/34/640570734.db2.gz SRCSODKVBKRNAY-UHFFFAOYSA-N 2 1 244.342 1.899 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)O1 ZINC000933731852 640755025 /nfs/dbraw/zinc/75/50/25/640755025.db2.gz ILOLHMPFQCTRCF-ZOBORPQBSA-N 2 1 238.375 1.437 20 0 BDADMP COCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740388 640756218 /nfs/dbraw/zinc/75/62/18/640756218.db2.gz RYVONAJUBZNIPG-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740388 640756223 /nfs/dbraw/zinc/75/62/23/640756223.db2.gz RYVONAJUBZNIPG-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740388 640756227 /nfs/dbraw/zinc/75/62/27/640756227.db2.gz RYVONAJUBZNIPG-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740388 640756230 /nfs/dbraw/zinc/75/62/30/640756230.db2.gz RYVONAJUBZNIPG-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740602 640760408 /nfs/dbraw/zinc/76/04/08/640760408.db2.gz MJNKQVPBKIJAEB-QWHCGFSZSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740602 640760417 /nfs/dbraw/zinc/76/04/17/640760417.db2.gz MJNKQVPBKIJAEB-QWHCGFSZSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740602 640760421 /nfs/dbraw/zinc/76/04/21/640760421.db2.gz MJNKQVPBKIJAEB-QWHCGFSZSA-N 2 1 210.365 1.916 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226418773 640762536 /nfs/dbraw/zinc/76/25/36/640762536.db2.gz XKIDBSXYHJMQJA-ZDUSSCGKSA-N 2 1 228.380 1.471 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000227345084 640829396 /nfs/dbraw/zinc/82/93/96/640829396.db2.gz BRYMXAAMAAUUIW-MGPQQGTHSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000227345084 640829399 /nfs/dbraw/zinc/82/93/99/640829399.db2.gz BRYMXAAMAAUUIW-MGPQQGTHSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000227345084 640829402 /nfs/dbraw/zinc/82/94/02/640829402.db2.gz BRYMXAAMAAUUIW-MGPQQGTHSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H](O)c1ccccc1 ZINC000227748464 640846840 /nfs/dbraw/zinc/84/68/40/640846840.db2.gz UHZPIOHNJLCEAD-GFCCVEGCSA-N 2 1 208.305 1.001 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767401 640848051 /nfs/dbraw/zinc/84/80/51/640848051.db2.gz FNFHVNCETAGIOQ-RYUDHWBXSA-N 2 1 214.353 1.328 20 0 BDADMP COCCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000062031707 641016828 /nfs/dbraw/zinc/01/68/28/641016828.db2.gz PYDCINVYIMWCGP-UHFFFAOYSA-N 2 1 200.326 1.225 20 0 BDADMP CO[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@@H]1C ZINC000230312610 641046318 /nfs/dbraw/zinc/04/63/18/641046318.db2.gz SYHNHFWALCQIQR-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000230314853 641048076 /nfs/dbraw/zinc/04/80/76/641048076.db2.gz BEIFTYBCLBRFQU-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP COCCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000062868059 641103708 /nfs/dbraw/zinc/10/37/08/641103708.db2.gz YYAUKVJXEXYGBW-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP C[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000062868023 641104116 /nfs/dbraw/zinc/10/41/16/641104116.db2.gz IBSLNQJHMBIJJZ-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1cccnc1 ZINC000934230440 641108497 /nfs/dbraw/zinc/10/84/97/641108497.db2.gz QIQVSTAASPFULY-LBPRGKRZSA-N 2 1 244.342 1.807 20 0 BDADMP Cn1nccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231035318 641127941 /nfs/dbraw/zinc/12/79/41/641127941.db2.gz MMPSGKNJRDOAKP-GXTWGEPZSA-N 2 1 248.374 1.179 20 0 BDADMP COC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000231026204 641133624 /nfs/dbraw/zinc/13/36/24/641133624.db2.gz SGEALWIVQDCTEL-RYUDHWBXSA-N 2 1 228.380 1.874 20 0 BDADMP CCCCOC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063159966 641140756 /nfs/dbraw/zinc/14/07/56/641140756.db2.gz FYNPKHWCIIFJRO-UHFFFAOYSA-N 2 1 242.363 1.261 20 0 BDADMP O[C@@H](CC1CCCC1)C[N@@H+]1CCC[NH2+]CC1 ZINC000232121458 641241552 /nfs/dbraw/zinc/24/15/52/641241552.db2.gz PAPJDRQQVUSUTP-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP O[C@@H](CC1CCCC1)C[N@H+]1CCC[NH2+]CC1 ZINC000232121458 641241559 /nfs/dbraw/zinc/24/15/59/641241559.db2.gz PAPJDRQQVUSUTP-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP CSCC(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000934670036 641242238 /nfs/dbraw/zinc/24/22/38/641242238.db2.gz MZKYQJHQYOVLON-LLVKDONJSA-N 2 1 246.420 1.173 20 0 BDADMP CSCC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000934670036 641242243 /nfs/dbraw/zinc/24/22/43/641242243.db2.gz MZKYQJHQYOVLON-LLVKDONJSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148840 641249194 /nfs/dbraw/zinc/24/91/94/641249194.db2.gz MLKGWJCMEIYFBK-UBHSHLNASA-N 2 1 240.391 1.597 20 0 BDADMP C[N@@H+](C[C@H](O)CC1CCCC1)CC(C)(C)C[NH3+] ZINC000232148698 641250574 /nfs/dbraw/zinc/25/05/74/641250574.db2.gz NYLCBQNRWWIKQQ-CYBMUJFWSA-N 2 1 242.407 1.844 20 0 BDADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC1CC1 ZINC000929698139 641405136 /nfs/dbraw/zinc/40/51/36/641405136.db2.gz ZBDDYKOEEFHGHD-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000723122565 711506107 /nfs/dbraw/zinc/50/61/07/711506107.db2.gz QSQFDQZFABLETF-NDBYEHHHSA-N 2 1 210.365 1.949 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233514365 642678869 /nfs/dbraw/zinc/67/88/69/642678869.db2.gz MHCSCHGEZFLNAU-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP COCC[C@@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420404941 642724608 /nfs/dbraw/zinc/72/46/08/642724608.db2.gz PATIMESGMGNRQM-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420404941 642724614 /nfs/dbraw/zinc/72/46/14/642724614.db2.gz PATIMESGMGNRQM-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP COCCCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000130930617 642894702 /nfs/dbraw/zinc/89/47/02/642894702.db2.gz DDGNSIMMAZUSSF-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP CCCNC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000070946490 643086544 /nfs/dbraw/zinc/08/65/44/643086544.db2.gz ZVXRWHYEBZXOIW-UHFFFAOYSA-N 2 1 226.368 1.385 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)C2C[NH2+]C2)c1C ZINC000090290320 643144999 /nfs/dbraw/zinc/14/49/99/643144999.db2.gz DONUUNHYJNHELI-UHFFFAOYSA-N 2 1 235.331 1.111 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2(C)OCCO2)CC[N@H+]1C ZINC000183894599 643179220 /nfs/dbraw/zinc/17/92/20/643179220.db2.gz NJQPPFKETHMTLK-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC2(C1)CCOCC2 ZINC000306045053 643286441 /nfs/dbraw/zinc/28/64/41/643286441.db2.gz NZUKSULQMLQQSU-OLZOCXBDSA-N 2 1 238.375 1.344 20 0 BDADMP CCCC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000082485275 643321113 /nfs/dbraw/zinc/32/11/13/643321113.db2.gz GTALDZZIIHKOQZ-UHFFFAOYSA-N 2 1 227.396 1.402 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233463993 643347483 /nfs/dbraw/zinc/34/74/83/643347483.db2.gz MHCSCHGEZFLNAU-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP COC(=O)c1ccc2c(c1)CC[N@@H+](CCC[NH3+])C2 ZINC000082791083 643382080 /nfs/dbraw/zinc/38/20/80/643382080.db2.gz CMVYGSDPSFQCHM-UHFFFAOYSA-N 2 1 248.326 1.180 20 0 BDADMP COC(=O)c1ccc2c(c1)CC[N@H+](CCC[NH3+])C2 ZINC000082791083 643382084 /nfs/dbraw/zinc/38/20/84/643382084.db2.gz CMVYGSDPSFQCHM-UHFFFAOYSA-N 2 1 248.326 1.180 20 0 BDADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C ZINC000082923081 643388134 /nfs/dbraw/zinc/38/81/34/643388134.db2.gz MVOWZINHGMSRFG-GHMZBOCLSA-N 2 1 214.353 1.374 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000082931364 643390788 /nfs/dbraw/zinc/39/07/88/643390788.db2.gz VVYBWFSZGIEJEC-LLVKDONJSA-N 2 1 205.305 1.252 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334979368 643399039 /nfs/dbraw/zinc/39/90/39/643399039.db2.gz FNXRTTZAJHCAHC-KBPBESRZSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334979368 643399046 /nfs/dbraw/zinc/39/90/46/643399046.db2.gz FNXRTTZAJHCAHC-KBPBESRZSA-N 3 1 237.391 1.204 20 0 BDADMP COC[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000081069482 643493971 /nfs/dbraw/zinc/49/39/71/643493971.db2.gz DUCSUFYHMYHNMA-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP CC[C@H](C[NH2+]Cc1cc[nH]c(=O)c1)[NH+]1CCCC1 ZINC000921524938 643582971 /nfs/dbraw/zinc/58/29/71/643582971.db2.gz LQWGYZPDIMIVOV-CYBMUJFWSA-N 2 1 249.358 1.751 20 0 BDADMP CCCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789761 643623807 /nfs/dbraw/zinc/62/38/07/643623807.db2.gz XVCJRYYZJSOVHE-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789761 643623812 /nfs/dbraw/zinc/62/38/12/643623812.db2.gz XVCJRYYZJSOVHE-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)C ZINC000084385360 643660490 /nfs/dbraw/zinc/66/04/90/643660490.db2.gz QLTBRFBKMFHLRT-ZDUSSCGKSA-N 2 1 228.380 1.590 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000050245460 643661403 /nfs/dbraw/zinc/66/14/03/643661403.db2.gz FTGAXWFITNHKGJ-GFCCVEGCSA-N 2 1 232.327 1.402 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC1CCOCC1 ZINC000085015972 643678815 /nfs/dbraw/zinc/67/88/15/643678815.db2.gz NWWIUTQNJPITOD-OLZOCXBDSA-N 2 1 226.364 1.472 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922314167 643966519 /nfs/dbraw/zinc/96/65/19/643966519.db2.gz VGHPAZINGXIUQX-QWRGUYRKSA-N 2 1 244.379 1.456 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922314167 643966526 /nfs/dbraw/zinc/96/65/26/643966526.db2.gz VGHPAZINGXIUQX-QWRGUYRKSA-N 2 1 244.379 1.456 20 0 BDADMP CCO[C@H](C[NH2+]CCCC(C)C)C[NH+](C)C ZINC000922758096 644087737 /nfs/dbraw/zinc/08/77/37/644087737.db2.gz QONVGRFSDSSQGO-CYBMUJFWSA-N 2 1 230.396 1.979 20 0 BDADMP CCO[C@H](C[NH2+]CC(C)C)C[NH+](C)C ZINC000922760225 644088798 /nfs/dbraw/zinc/08/87/98/644088798.db2.gz KTSYOFZTNNZICC-LLVKDONJSA-N 2 1 202.342 1.199 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCS1 ZINC000922842487 644115903 /nfs/dbraw/zinc/11/59/03/644115903.db2.gz MBQIRCXXDWIJTH-JQWIXIFHSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCS1 ZINC000922842488 644116894 /nfs/dbraw/zinc/11/68/94/644116894.db2.gz MBQIRCXXDWIJTH-PWSUYJOCSA-N 2 1 228.405 1.954 20 0 BDADMP COC(OC)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000079584976 644194561 /nfs/dbraw/zinc/19/45/61/644194561.db2.gz LBDAJEODDKAVRF-WAAKLRNESA-N 2 1 242.363 1.209 20 0 BDADMP COC(OC)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000079584976 644194566 /nfs/dbraw/zinc/19/45/66/644194566.db2.gz LBDAJEODDKAVRF-WAAKLRNESA-N 2 1 242.363 1.209 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC1(C)C ZINC000923004321 644228829 /nfs/dbraw/zinc/22/88/29/644228829.db2.gz BEIXTJKOEUUDLF-SRVKXCTJSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000923286338 644319555 /nfs/dbraw/zinc/31/95/55/644319555.db2.gz ICLGEBCMEJRBIG-OAHLLOKOSA-N 2 1 248.370 1.712 20 0 BDADMP CCc1ncc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000923289826 644322913 /nfs/dbraw/zinc/32/29/13/644322913.db2.gz SRHRTXPJZMVPRU-MNOVXSKESA-N 2 1 237.347 1.796 20 0 BDADMP CCc1ncc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000923289826 644322916 /nfs/dbraw/zinc/32/29/16/644322916.db2.gz SRHRTXPJZMVPRU-MNOVXSKESA-N 2 1 237.347 1.796 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303757 644341061 /nfs/dbraw/zinc/34/10/61/644341061.db2.gz KFLBIKMJFTVGCA-LBPRGKRZSA-N 2 1 226.364 1.343 20 0 BDADMP CC1(C)CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312624 644341168 /nfs/dbraw/zinc/34/11/68/644341168.db2.gz KXQNHNZMHQGTAP-NSHDSACASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923314230 644342249 /nfs/dbraw/zinc/34/22/49/644342249.db2.gz DVVBLJKXLDDVOO-GRYCIOLGSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]([N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C)CC1 ZINC000923317215 644343510 /nfs/dbraw/zinc/34/35/10/644343510.db2.gz BZWXJHOWKANBPZ-RYUDHWBXSA-N 2 1 238.375 1.485 20 0 BDADMP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000923317566 644343960 /nfs/dbraw/zinc/34/39/60/644343960.db2.gz FIQRQQHFHIREFT-OCCSQVGLSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000923317566 644343965 /nfs/dbraw/zinc/34/39/65/644343965.db2.gz FIQRQQHFHIREFT-OCCSQVGLSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C ZINC000923309761 644347806 /nfs/dbraw/zinc/34/78/06/644347806.db2.gz OEMYANXSWQPRPL-NSHDSACASA-N 2 1 226.364 1.343 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000923330774 644348176 /nfs/dbraw/zinc/34/81/76/644348176.db2.gz IOCNDTFWJVXEMD-BPLDGKMQSA-N 2 1 248.370 1.698 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331544 644361173 /nfs/dbraw/zinc/36/11/73/644361173.db2.gz LSTZHZUYELFSSK-KGLIPLIRSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CCC(C)C)CC[C@@H]1[NH3+] ZINC000923346015 644364073 /nfs/dbraw/zinc/36/40/73/644364073.db2.gz SWQQHKQQXKEVMD-RDBSUJKOSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923357472 644365971 /nfs/dbraw/zinc/36/59/71/644365971.db2.gz OBHFNQRVTBZYBV-OLZOCXBDSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923357472 644365973 /nfs/dbraw/zinc/36/59/73/644365973.db2.gz OBHFNQRVTBZYBV-OLZOCXBDSA-N 2 1 228.380 1.453 20 0 BDADMP C[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC000923366186 644378071 /nfs/dbraw/zinc/37/80/71/644378071.db2.gz KOCJNCPNTDXLDJ-WYTNZGFTSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC000923366186 644378073 /nfs/dbraw/zinc/37/80/73/644378073.db2.gz KOCJNCPNTDXLDJ-WYTNZGFTSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1N ZINC000923366186 644378075 /nfs/dbraw/zinc/37/80/75/644378075.db2.gz KOCJNCPNTDXLDJ-WYTNZGFTSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1N ZINC000923366186 644378080 /nfs/dbraw/zinc/37/80/80/644378080.db2.gz KOCJNCPNTDXLDJ-WYTNZGFTSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCC[NH2+]C1CC1 ZINC000923370160 644380504 /nfs/dbraw/zinc/38/05/04/644380504.db2.gz DDXCQLFFDCPWIV-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCC[NH2+]C1CC1 ZINC000923370158 644380525 /nfs/dbraw/zinc/38/05/25/644380525.db2.gz DDXCQLFFDCPWIV-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923362662 644385314 /nfs/dbraw/zinc/38/53/14/644385314.db2.gz MFABOAFJFZPFPJ-MCIGGMRASA-N 2 1 214.353 1.205 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923375871 644388869 /nfs/dbraw/zinc/38/88/69/644388869.db2.gz QUPMPCRLYCOJBJ-MCIONIFRSA-N 2 1 242.407 1.700 20 0 BDADMP CSC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000923383486 644395904 /nfs/dbraw/zinc/39/59/04/644395904.db2.gz SIJNEXYYHQEOHL-NOOOWODRSA-N 2 1 246.420 1.016 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000923395866 644403289 /nfs/dbraw/zinc/40/32/89/644403289.db2.gz WHIMVXFXPYBSIG-AWEZNQCLSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923393001 644409668 /nfs/dbraw/zinc/40/96/68/644409668.db2.gz XKIMIBMLHJDYOH-OKILXGFUSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000923410562 644410563 /nfs/dbraw/zinc/41/05/63/644410563.db2.gz IIMHALVLXLUJNJ-BPLDGKMQSA-N 2 1 248.370 1.117 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923408587 644410631 /nfs/dbraw/zinc/41/06/31/644410631.db2.gz CIOBQTUKRUDLPP-GHMZBOCLSA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923408587 644410637 /nfs/dbraw/zinc/41/06/37/644410637.db2.gz CIOBQTUKRUDLPP-GHMZBOCLSA-N 2 1 202.342 1.063 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413582 644415660 /nfs/dbraw/zinc/41/56/60/644415660.db2.gz RBGIZTXJNBVCOP-IUKMKKQMSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413582 644415667 /nfs/dbraw/zinc/41/56/67/644415667.db2.gz RBGIZTXJNBVCOP-IUKMKKQMSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413582 644415675 /nfs/dbraw/zinc/41/56/75/644415675.db2.gz RBGIZTXJNBVCOP-IUKMKKQMSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413582 644415678 /nfs/dbraw/zinc/41/56/78/644415678.db2.gz RBGIZTXJNBVCOP-IUKMKKQMSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@H](N)C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413580 644417598 /nfs/dbraw/zinc/41/75/98/644417598.db2.gz RBGIZTXJNBVCOP-FJCXZIGKSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@H](N)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413580 644417601 /nfs/dbraw/zinc/41/76/01/644417601.db2.gz RBGIZTXJNBVCOP-FJCXZIGKSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413580 644417604 /nfs/dbraw/zinc/41/76/04/644417604.db2.gz RBGIZTXJNBVCOP-FJCXZIGKSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413580 644417608 /nfs/dbraw/zinc/41/76/08/644417608.db2.gz RBGIZTXJNBVCOP-FJCXZIGKSA-N 3 1 237.391 1.329 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923415165 644417617 /nfs/dbraw/zinc/41/76/17/644417617.db2.gz OVXJDQCYLJGUJQ-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923427636 644422938 /nfs/dbraw/zinc/42/29/38/644422938.db2.gz UIUGYFFVJYMVFL-BFHYXJOUSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923437503 644424848 /nfs/dbraw/zinc/42/48/48/644424848.db2.gz SLGUGECBYCAQPS-XUXIUFHCSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC[C@@H]1CCC[NH2+]C1 ZINC000923437503 644424862 /nfs/dbraw/zinc/42/48/62/644424862.db2.gz SLGUGECBYCAQPS-XUXIUFHCSA-N 2 1 239.407 1.447 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455555 644434588 /nfs/dbraw/zinc/43/45/88/644434588.db2.gz XIBDMPWBDMQMBO-REWJHTLYSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455555 644434589 /nfs/dbraw/zinc/43/45/89/644434589.db2.gz XIBDMPWBDMQMBO-REWJHTLYSA-N 2 1 236.359 1.097 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000923478517 644455652 /nfs/dbraw/zinc/45/56/52/644455652.db2.gz DCDPDLPWIOTFBN-STQMWFEESA-N 2 1 238.375 1.616 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000923481939 644460490 /nfs/dbraw/zinc/46/04/90/644460490.db2.gz VNQBTWVLWGRQQC-JTQLQIEISA-N 2 1 235.331 1.723 20 0 BDADMP Cc1conc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488074 644461488 /nfs/dbraw/zinc/46/14/88/644461488.db2.gz CZZLHSAKUZTYKD-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@@H]1C[N@@H+](C/C=C/Cl)CC[C@@H]1C[NH3+] ZINC000923495427 644463380 /nfs/dbraw/zinc/46/33/80/644463380.db2.gz VKROSHKGTMTVDJ-QWZJGYIASA-N 2 1 202.729 1.656 20 0 BDADMP Cc1conc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488076 644463436 /nfs/dbraw/zinc/46/34/36/644463436.db2.gz CZZLHSAKUZTYKD-ONGXEEELSA-N 2 1 223.320 1.400 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000923484135 644463805 /nfs/dbraw/zinc/46/38/05/644463805.db2.gz WISURWIBQBXAOF-CYBMUJFWSA-N 3 1 225.380 1.047 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490289 644465749 /nfs/dbraw/zinc/46/57/49/644465749.db2.gz MINIEARGFDZINX-OLZOCXBDSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](CCOC(F)F)CC[C@@H]1C[NH3+] ZINC000923490321 644466078 /nfs/dbraw/zinc/46/60/78/644466078.db2.gz MTXGLYDQUNKYHR-RKDXNWHRSA-N 2 1 222.279 1.142 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC000923489849 644466219 /nfs/dbraw/zinc/46/62/19/644466219.db2.gz MECNTGHIISYAEK-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@@H]1C[NH3+] ZINC000923492630 644466915 /nfs/dbraw/zinc/46/69/15/644466915.db2.gz YATVIFPPBOBGQK-ZYHUDNBSSA-N 2 1 249.358 1.969 20 0 BDADMP Cc1nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000086403515 644467298 /nfs/dbraw/zinc/46/72/98/644467298.db2.gz WLQVOMJOAFJNHU-ZJUUUORDSA-N 2 1 225.361 1.811 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nc(C)n1 ZINC000923492692 644467675 /nfs/dbraw/zinc/46/76/75/644467675.db2.gz CAHMSHVSMKXWBA-GWCFXTLKSA-N 2 1 248.374 1.510 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C[NH3+] ZINC000923491872 644468792 /nfs/dbraw/zinc/46/87/92/644468792.db2.gz KBVFYUQEKFPXMP-LPWJVIDDSA-N 3 1 225.380 1.031 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ncn1 ZINC000923493492 644469934 /nfs/dbraw/zinc/46/99/34/644469934.db2.gz HFJMTEISVLECLT-CMPLNLGQSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923501992 644470552 /nfs/dbraw/zinc/47/05/52/644470552.db2.gz VFHCPKDVZLWQPY-DGCLKSJQSA-N 2 1 219.332 1.498 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499408 644472441 /nfs/dbraw/zinc/47/24/41/644472441.db2.gz KIJXZCVSNFQDNU-ONGXEEELSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)oc1C ZINC000923497332 644473879 /nfs/dbraw/zinc/47/38/79/644473879.db2.gz DPKAQBSNTURWLZ-JOYOIKCWSA-N 2 1 237.347 1.708 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCC1 ZINC000923516232 644479118 /nfs/dbraw/zinc/47/91/18/644479118.db2.gz WEVXTSBAFMPSQU-BFHYXJOUSA-N 2 1 238.375 1.343 20 0 BDADMP COCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530638 644486198 /nfs/dbraw/zinc/48/61/98/644486198.db2.gz LCYDIGKTISHZIG-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP COCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530638 644486204 /nfs/dbraw/zinc/48/62/04/644486204.db2.gz LCYDIGKTISHZIG-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923530971 644486862 /nfs/dbraw/zinc/48/68/62/644486862.db2.gz OCRJQFXBUPEATQ-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP COC1CC(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923531638 644489191 /nfs/dbraw/zinc/48/91/91/644489191.db2.gz UHTVCSQATCYPBE-RUXDESIVSA-N 2 1 238.375 1.629 20 0 BDADMP COC1CC(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923531638 644489195 /nfs/dbraw/zinc/48/91/95/644489195.db2.gz UHTVCSQATCYPBE-RUXDESIVSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533748 644489259 /nfs/dbraw/zinc/48/92/59/644489259.db2.gz NWMGTQDHQBMPDY-UPJWGTAASA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533748 644489264 /nfs/dbraw/zinc/48/92/64/644489264.db2.gz NWMGTQDHQBMPDY-UPJWGTAASA-N 2 1 208.349 1.860 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CC1(O)CCCCC1 ZINC000087029225 644495499 /nfs/dbraw/zinc/49/54/99/644495499.db2.gz UGKLQYCEJCJOCZ-UHFFFAOYSA-N 2 1 237.347 1.476 20 0 BDADMP CCCCOC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847208 644640661 /nfs/dbraw/zinc/64/06/61/644640661.db2.gz SJHVPNLYMNLLHA-UHFFFAOYSA-N 2 1 242.363 1.531 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])N1CCCCC1 ZINC000251142240 644794878 /nfs/dbraw/zinc/79/48/78/644794878.db2.gz WMSHLBIWJVKXNF-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000796749570 644813192 /nfs/dbraw/zinc/81/31/92/644813192.db2.gz YSEKCVPOPPREMU-DGAVXFQQSA-N 2 1 237.391 1.153 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000796749570 644813196 /nfs/dbraw/zinc/81/31/96/644813196.db2.gz YSEKCVPOPPREMU-DGAVXFQQSA-N 2 1 237.391 1.153 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000796749570 644813199 /nfs/dbraw/zinc/81/31/99/644813199.db2.gz YSEKCVPOPPREMU-DGAVXFQQSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000796749570 644813202 /nfs/dbraw/zinc/81/32/02/644813202.db2.gz YSEKCVPOPPREMU-DGAVXFQQSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000796749570 644813205 /nfs/dbraw/zinc/81/32/05/644813205.db2.gz YSEKCVPOPPREMU-DGAVXFQQSA-N 2 1 237.391 1.153 20 0 BDADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000252672819 644875652 /nfs/dbraw/zinc/87/56/52/644875652.db2.gz CZBHGXOQQSNSSI-QWRGUYRKSA-N 2 1 247.346 1.406 20 0 BDADMP FCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388570 645289332 /nfs/dbraw/zinc/28/93/32/645289332.db2.gz RZJYODKVCHNQSH-MNOVXSKESA-N 2 1 200.301 1.277 20 0 BDADMP CCCCOC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000843389463 645289963 /nfs/dbraw/zinc/28/99/63/645289963.db2.gz WJOIDUBQIBNBFX-UHFFFAOYSA-N 2 1 242.363 1.533 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000843389463 645289973 /nfs/dbraw/zinc/28/99/73/645289973.db2.gz WJOIDUBQIBNBFX-UHFFFAOYSA-N 2 1 242.363 1.533 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CO[C@H]1C ZINC000926574361 645293118 /nfs/dbraw/zinc/29/31/18/645293118.db2.gz WEGOCYRXPYUKPE-XUXIUFHCSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC12CC2 ZINC000926619070 645320914 /nfs/dbraw/zinc/32/09/14/645320914.db2.gz WVUQWHGLKHCTIH-PSIUFMSWSA-N 2 1 206.333 1.469 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CCCC12CC2)C[NH+](C)C ZINC000926961162 645501273 /nfs/dbraw/zinc/50/12/73/645501273.db2.gz OGJSXQOJXUMETJ-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000927030003 645528557 /nfs/dbraw/zinc/52/85/57/645528557.db2.gz VQTJDVGHBVUJOW-AGIUHOORSA-N 2 1 228.380 1.610 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@@H]2CCC[C@@H]21 ZINC000927145783 645569245 /nfs/dbraw/zinc/56/92/45/645569245.db2.gz BSZCCDXLUBVNHK-PEDHHIEDSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@H]2CCC[C@@H]21 ZINC000927145786 645570836 /nfs/dbraw/zinc/57/08/36/645570836.db2.gz BSZCCDXLUBVNHK-POQQGIQPSA-N 2 1 238.375 1.220 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1(C2CC2)CCC1 ZINC000887148511 645893986 /nfs/dbraw/zinc/89/39/86/645893986.db2.gz GJCHALKZCAZIJJ-UHFFFAOYSA-N 2 1 219.332 1.885 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCO1 ZINC000924541023 646060905 /nfs/dbraw/zinc/06/09/05/646060905.db2.gz AGSCJIWISZFGCM-FXJUQPSGSA-N 2 1 224.348 1.095 20 0 BDADMP CC[C@@H](CO)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929289826 646064808 /nfs/dbraw/zinc/06/48/08/646064808.db2.gz ZWWMVJUCVAJVDB-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccnnc1 ZINC000924648596 646086608 /nfs/dbraw/zinc/08/66/08/646086608.db2.gz MFVAUZWVLVHGHH-NWDGAFQWSA-N 2 1 246.358 1.612 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccnnc1 ZINC000924648596 646086615 /nfs/dbraw/zinc/08/66/15/646086615.db2.gz MFVAUZWVLVHGHH-NWDGAFQWSA-N 2 1 246.358 1.612 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnnc1 ZINC000924696331 646091093 /nfs/dbraw/zinc/09/10/93/646091093.db2.gz OHOPZHOJZRKSQI-FPMFFAJLSA-N 2 1 246.358 1.754 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnnc1 ZINC000924696331 646091097 /nfs/dbraw/zinc/09/10/97/646091097.db2.gz OHOPZHOJZRKSQI-FPMFFAJLSA-N 2 1 246.358 1.754 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnnn1C ZINC000924711293 646093681 /nfs/dbraw/zinc/09/36/81/646093681.db2.gz ASNRVFJUERBYAE-JTQLQIEISA-N 2 1 248.334 1.061 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000924762400 646102122 /nfs/dbraw/zinc/10/21/22/646102122.db2.gz SUWPBRRXEGSCQD-ZBBUEOHVSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1(Cl)CC1 ZINC000924757430 646102560 /nfs/dbraw/zinc/10/25/60/646102560.db2.gz OQWVTSCKOCWYDC-WDEREUQCSA-N 2 1 246.782 1.193 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924951030 646139175 /nfs/dbraw/zinc/13/91/75/646139175.db2.gz BFFUXYZTDOLELT-UPJWGTAASA-N 2 1 242.407 1.977 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C(C)(C)CO ZINC000924954524 646140323 /nfs/dbraw/zinc/14/03/23/646140323.db2.gz IWZDJDDKWWIYJK-VXGBXAGGSA-N 2 1 230.396 1.713 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1COC[C@@H]1C ZINC000925134152 646193240 /nfs/dbraw/zinc/19/32/40/646193240.db2.gz PLBUBYKACMJBIF-AAEUAGOBSA-N 2 1 237.347 1.596 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000723633074 711527754 /nfs/dbraw/zinc/52/77/54/711527754.db2.gz JBBMOOBFZALIEV-LBPRGKRZSA-N 2 1 237.347 1.852 20 0 BDADMP COc1ccccc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925503158 646305916 /nfs/dbraw/zinc/30/59/16/646305916.db2.gz IGOLJNCUBFZWAN-AWEZNQCLSA-N 2 1 248.370 1.968 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C/C=C(\C)COC)CC1 ZINC000929779299 646309463 /nfs/dbraw/zinc/30/94/63/646309463.db2.gz LKNKRWLRQQRSGT-AWNIVKPZSA-N 2 1 240.391 1.995 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C/C=C(\C)COC)CC1 ZINC000929779299 646309468 /nfs/dbraw/zinc/30/94/68/646309468.db2.gz LKNKRWLRQQRSGT-AWNIVKPZSA-N 2 1 240.391 1.995 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000925536537 646322409 /nfs/dbraw/zinc/32/24/09/646322409.db2.gz FSSXDOLPTYGABM-DGCLKSJQSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925579622 646344197 /nfs/dbraw/zinc/34/41/97/646344197.db2.gz GFLRGSLVXFMDAD-AGIUHOORSA-N 2 1 248.374 1.584 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925617489 646364687 /nfs/dbraw/zinc/36/46/87/646364687.db2.gz RHYHHCWTZYWZSH-LLVKDONJSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925634247 646378637 /nfs/dbraw/zinc/37/86/37/646378637.db2.gz ISWXBXQWZLGIGG-SDDRHHMPSA-N 2 1 226.364 1.410 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925636891 646379660 /nfs/dbraw/zinc/37/96/60/646379660.db2.gz VRHVWHFLDLRPAI-FDYHWXHSSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000925641777 646384991 /nfs/dbraw/zinc/38/49/91/646384991.db2.gz BLOTUTXRHYAIHX-RNJOBUHISA-N 2 1 226.364 1.268 20 0 BDADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925641728 646385267 /nfs/dbraw/zinc/38/52/67/646385267.db2.gz AJXAQZWHAPNLTF-IJLUTSLNSA-N 2 1 238.375 1.410 20 0 BDADMP CCOC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925649633 646389469 /nfs/dbraw/zinc/38/94/69/646389469.db2.gz MOYWBMGRQBUEGD-CHWSQXEVSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]CCC1CC(O)C1)c1ccccc1 ZINC000925652254 646392196 /nfs/dbraw/zinc/39/21/96/646392196.db2.gz PBNIWTRHWOKGNC-DGLGBPBLSA-N 2 1 248.370 1.826 20 0 BDADMP C[C@@H](O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925655427 646394444 /nfs/dbraw/zinc/39/44/44/646394444.db2.gz VFDGNPIEAWXIAZ-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000925668983 646401433 /nfs/dbraw/zinc/40/14/33/646401433.db2.gz MULLOWKDHAARAC-SMDDNHRTSA-N 2 1 246.354 1.893 20 0 BDADMP OC[C@@H](CC1CCC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925674221 646402274 /nfs/dbraw/zinc/40/22/74/646402274.db2.gz QAVLDQLXABKGSA-OLZOCXBDSA-N 2 1 238.375 1.412 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925674442 646403029 /nfs/dbraw/zinc/40/30/29/646403029.db2.gz JIEMICCLBXHPBV-STQMWFEESA-N 2 1 238.375 1.676 20 0 BDADMP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)OC ZINC000925677307 646404454 /nfs/dbraw/zinc/40/44/54/646404454.db2.gz SKTBQLKVYWLSGS-NWDGAFQWSA-N 2 1 226.364 1.676 20 0 BDADMP CC(C)(CO)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925681093 646408876 /nfs/dbraw/zinc/40/88/76/646408876.db2.gz WBROEWALYJGWIE-NSHDSACASA-N 2 1 226.364 1.269 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C12CCC2 ZINC000925686742 646412913 /nfs/dbraw/zinc/41/29/13/646412913.db2.gz VYSZZCMBVDJBBG-QJPTWQEYSA-N 2 1 238.375 1.674 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H](C)O ZINC000925689353 646414911 /nfs/dbraw/zinc/41/49/11/646414911.db2.gz IDTKKBRRNRDFGW-VWYCJHECSA-N 2 1 212.337 1.020 20 0 BDADMP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000925691391 646415803 /nfs/dbraw/zinc/41/58/03/646415803.db2.gz LRQRJMACIPGAGF-RYUDHWBXSA-N 2 1 224.348 1.022 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689531 646416723 /nfs/dbraw/zinc/41/67/23/646416723.db2.gz BLPMFWOYJJWEEH-STQMWFEESA-N 3 1 241.423 1.870 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000925691225 646416897 /nfs/dbraw/zinc/41/68/97/646416897.db2.gz LGCKBBCNYVPZNB-LPTSXCQYSA-N 2 1 208.349 1.763 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925692040 646418573 /nfs/dbraw/zinc/41/85/73/646418573.db2.gz YRSUAYZKIGGSLK-DRZSPHRISA-N 2 1 238.375 1.674 20 0 BDADMP COCC1(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925706946 646431262 /nfs/dbraw/zinc/43/12/62/646431262.db2.gz PISPXENKDJTFLJ-NWDGAFQWSA-N 2 1 226.364 1.533 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000925706608 646431365 /nfs/dbraw/zinc/43/13/65/646431365.db2.gz NJNQHBRVRMBSFT-WCQYABFASA-N 3 1 239.407 1.624 20 0 BDADMP Cc1ccncc1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925708882 646433123 /nfs/dbraw/zinc/43/31/23/646433123.db2.gz SWZCWSQPHHJTPK-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000925709336 646434601 /nfs/dbraw/zinc/43/46/01/646434601.db2.gz VBMZZLFDBIOYFH-QJPTWQEYSA-N 2 1 208.349 1.905 20 0 BDADMP C(CN[C@@H]1CC[NH2+]C12CCC2)C[C@@H]1CCC[NH2+]1 ZINC000925710719 646434881 /nfs/dbraw/zinc/43/48/81/646434881.db2.gz QRBNPCFDQLESOH-QWHCGFSZSA-N 2 1 237.391 1.393 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1SCCS1 ZINC000925717620 646440401 /nfs/dbraw/zinc/44/04/01/646440401.db2.gz VEOXUECQLOFSFH-VIFPVBQESA-N 2 1 246.445 1.913 20 0 BDADMP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727186 646451990 /nfs/dbraw/zinc/45/19/90/646451990.db2.gz NGNKMPSYTBNNOF-XJFOESAGSA-N 2 1 249.402 1.391 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000925731159 646453340 /nfs/dbraw/zinc/45/33/40/646453340.db2.gz SGVPUYWRJWJQQB-RVMXOQNASA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925732638 646456870 /nfs/dbraw/zinc/45/68/70/646456870.db2.gz ZHEBSTXFQFSEGY-UZRPSVAASA-N 3 1 233.359 1.402 20 0 BDADMP C[C@@H]([NH3+])[C@H](NCC1CC([NH3+])C1)c1ccccc1 ZINC000925732638 646456875 /nfs/dbraw/zinc/45/68/75/646456875.db2.gz ZHEBSTXFQFSEGY-UZRPSVAASA-N 2 1 233.359 1.402 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000925733529 646458385 /nfs/dbraw/zinc/45/83/85/646458385.db2.gz WQLQSIVJRSPQTN-NWDGAFQWSA-N 2 1 240.391 1.922 20 0 BDADMP C[N@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@@H]2CCC[C@@H]21 ZINC000925738050 646460334 /nfs/dbraw/zinc/46/03/34/646460334.db2.gz MGXQLYKTMJONFF-AVGNSLFASA-N 3 1 239.407 1.576 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]2CCC[C@@H]21 ZINC000925738050 646460337 /nfs/dbraw/zinc/46/03/37/646460337.db2.gz MGXQLYKTMJONFF-AVGNSLFASA-N 3 1 239.407 1.576 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]2CCC[C@@H]21 ZINC000925738050 646460339 /nfs/dbraw/zinc/46/03/39/646460339.db2.gz MGXQLYKTMJONFF-AVGNSLFASA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H](NCc1cc(N)cc[nH+]1)[C@H]1CCCO1 ZINC000925767429 646468043 /nfs/dbraw/zinc/46/80/43/646468043.db2.gz OQFUITJVXROFLZ-JOYOIKCWSA-N 2 1 221.304 1.321 20 0 BDADMP Nc1cc[nH+]c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000925769928 646470762 /nfs/dbraw/zinc/47/07/62/646470762.db2.gz CYNCBHULOLCHAV-GXTWGEPZSA-N 2 1 246.358 1.380 20 0 BDADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925782205 646479366 /nfs/dbraw/zinc/47/93/66/646479366.db2.gz INJYJJQXIASWSY-IYKVGLELSA-N 2 1 226.364 1.243 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccoc1 ZINC000925791160 646484821 /nfs/dbraw/zinc/48/48/21/646484821.db2.gz OETWCHIPVZCHAO-SCVCMEIPSA-N 2 1 208.305 1.786 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798225 646486914 /nfs/dbraw/zinc/48/69/14/646486914.db2.gz VMRYVOLXDFFOHK-YPMHNXCESA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000925824430 646496881 /nfs/dbraw/zinc/49/68/81/646496881.db2.gz SVSXAOJLCHDBCB-JSAZDUPASA-N 2 1 208.349 1.619 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840583 646506875 /nfs/dbraw/zinc/50/68/75/646506875.db2.gz MUCAXMIHBVISLO-WUHRBBMRSA-N 3 1 225.380 1.234 20 0 BDADMP CCN1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925877758 646527257 /nfs/dbraw/zinc/52/72/57/646527257.db2.gz WVIJTNDAGWIFLT-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000925879775 646528795 /nfs/dbraw/zinc/52/87/95/646528795.db2.gz KRIOSWRZQIFORS-NWDGAFQWSA-N 3 1 237.391 1.330 20 0 BDADMP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925892451 646535240 /nfs/dbraw/zinc/53/52/40/646535240.db2.gz BJJLZKSGGQCIJF-FRRDWIJNSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000926175648 646588719 /nfs/dbraw/zinc/58/87/19/646588719.db2.gz ZRJNBZMXEYVFLD-LOWDOPEQSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000926175648 646588721 /nfs/dbraw/zinc/58/87/21/646588721.db2.gz ZRJNBZMXEYVFLD-LOWDOPEQSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926174120 646588933 /nfs/dbraw/zinc/58/89/33/646588933.db2.gz PVQUMCLOKMZEEX-JSGCOSHPSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926174120 646588939 /nfs/dbraw/zinc/58/89/39/646588939.db2.gz PVQUMCLOKMZEEX-JSGCOSHPSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC(F)F ZINC000926255398 646605304 /nfs/dbraw/zinc/60/53/04/646605304.db2.gz QJEXYQMKLLXVNU-DHHPTOIESA-N 2 1 248.317 1.198 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCCO ZINC000926329115 646617680 /nfs/dbraw/zinc/61/76/80/646617680.db2.gz WAIZPVJZQFQHRS-FUNVUKJBSA-N 2 1 226.364 1.079 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723703185 711535257 /nfs/dbraw/zinc/53/52/57/711535257.db2.gz KZNQOXISQFWJAR-SNVBAGLBSA-N 2 1 209.293 1.154 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713679 711535849 /nfs/dbraw/zinc/53/58/49/711535849.db2.gz XITKVNZDOJCZLD-MNOVXSKESA-N 2 1 220.320 1.208 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890667 711543891 /nfs/dbraw/zinc/54/38/91/711543891.db2.gz HSZGZBGZXLDPKS-LPWJVIDDSA-N 2 1 210.365 1.949 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907469 711545232 /nfs/dbraw/zinc/54/52/32/711545232.db2.gz LOJCDIJVYXPUJA-CHWSQXEVSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925548644 711700251 /nfs/dbraw/zinc/70/02/51/711700251.db2.gz DAWAOHMLOFEQCR-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CO[C@H](C)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396544583 711701505 /nfs/dbraw/zinc/70/15/05/711701505.db2.gz BPOBAGGWMGOPOS-VWYCJHECSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H](CN[C@@H]1CCC[NH2+][C@H]1C)[N@@H+](C)C1CC1 ZINC000396713661 711703420 /nfs/dbraw/zinc/70/34/20/711703420.db2.gz QKQQMLYGQAXFRN-GMXVVIOVSA-N 2 1 225.380 1.199 20 0 BDADMP CC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397291401 711705269 /nfs/dbraw/zinc/70/52/69/711705269.db2.gz AIBHNLYKEOBXGU-RHYQMDGZSA-N 2 1 214.353 1.063 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622189 711770959 /nfs/dbraw/zinc/77/09/59/711770959.db2.gz IVJRZULEFHURKF-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622189 711770960 /nfs/dbraw/zinc/77/09/60/711770960.db2.gz IVJRZULEFHURKF-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622189 711770962 /nfs/dbraw/zinc/77/09/62/711770962.db2.gz IVJRZULEFHURKF-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702447380 712053550 /nfs/dbraw/zinc/05/35/50/712053550.db2.gz WXRDQWUACWSMMW-MELADBBJSA-N 2 1 239.407 1.243 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000706544525 712149015 /nfs/dbraw/zinc/14/90/15/712149015.db2.gz RTRQJIUTTAMPNA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CSC1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000706928689 712161592 /nfs/dbraw/zinc/16/15/92/712161592.db2.gz MPLDTRGPHLGYHX-XSRFYTQQSA-N 2 1 240.416 1.954 20 0 BDADMP CSC1CC([NH2+]CCc2c[nH+]cn2C)C1 ZINC000706945231 712162913 /nfs/dbraw/zinc/16/29/13/712162913.db2.gz PLSYIQHODWZRMT-UHFFFAOYSA-N 2 1 225.361 1.446 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708321757 712186262 /nfs/dbraw/zinc/18/62/62/712186262.db2.gz ACGBIZUZPUCNGT-XQQFMLRXSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708333196 712188070 /nfs/dbraw/zinc/18/80/70/712188070.db2.gz UTOVGSAJNCNORB-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000708333216 712188136 /nfs/dbraw/zinc/18/81/36/712188136.db2.gz VEAFNPSMPRSVMR-LBPRGKRZSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708338109 712189227 /nfs/dbraw/zinc/18/92/27/712189227.db2.gz REWYFXMKEPDTOI-QJPTWQEYSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709791547 712227361 /nfs/dbraw/zinc/22/73/61/712227361.db2.gz CBAWWBCUWDSMBP-HTQZYQBOSA-N 2 1 210.243 1.464 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1cn[nH]c1 ZINC000710713287 712255033 /nfs/dbraw/zinc/25/50/33/712255033.db2.gz GGNXLSHGVGSZON-UHFFFAOYSA-N 2 1 210.325 1.361 20 0 BDADMP CC[C@]1(O)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000710639369 712264452 /nfs/dbraw/zinc/26/44/52/712264452.db2.gz DLAKGOBLHJZAOZ-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP FC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000711456068 712304984 /nfs/dbraw/zinc/30/49/84/712304984.db2.gz QXPJOGYJCXAGLC-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712687664 712440457 /nfs/dbraw/zinc/44/04/57/712440457.db2.gz VLLCDOMFNRAAIR-UHTWSYAYSA-N 2 1 208.349 1.703 20 0 BDADMP C[N@H+]1CCN(C[C@H]([NH3+])CC(F)F)CCC1(C)C ZINC000712670569 712440314 /nfs/dbraw/zinc/44/03/14/712440314.db2.gz LCYSBGAYLNNEEL-SNVBAGLBSA-N 2 1 249.349 1.385 20 0 BDADMP C=C/C=C/CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000713501168 712463355 /nfs/dbraw/zinc/46/33/55/712463355.db2.gz FSIPYTABMPDKBD-IHVVCDCBSA-N 2 1 224.348 1.163 20 0 BDADMP C=C/C=C/CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000713501168 712463356 /nfs/dbraw/zinc/46/33/56/712463356.db2.gz FSIPYTABMPDKBD-IHVVCDCBSA-N 2 1 224.348 1.163 20 0 BDADMP CC1(C)CC[C@H](C[N@H+]2CC[C@H](CC[NH3+])C2)OC1 ZINC000713597988 712465882 /nfs/dbraw/zinc/46/58/82/712465882.db2.gz XFJLLBSZHJKWCM-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000713598248 712466684 /nfs/dbraw/zinc/46/66/84/712466684.db2.gz ZJTQALBZZAQEAP-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714373364 712484743 /nfs/dbraw/zinc/48/47/43/712484743.db2.gz CFNKDSPHLQACIJ-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714373364 712484744 /nfs/dbraw/zinc/48/47/44/712484744.db2.gz CFNKDSPHLQACIJ-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037266990 712564796 /nfs/dbraw/zinc/56/47/96/712564796.db2.gz HDZSMEHLCZDXFA-NSHDSACASA-N 2 1 228.380 1.874 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCO ZINC000380028367 712683204 /nfs/dbraw/zinc/68/32/04/712683204.db2.gz ZMLAVHKPKNSHJS-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCO ZINC000380028367 712683205 /nfs/dbraw/zinc/68/32/05/712683205.db2.gz ZMLAVHKPKNSHJS-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP COCC(C)(C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000718790844 712784088 /nfs/dbraw/zinc/78/40/88/712784088.db2.gz FWOACPPRFOJBIY-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000718915780 712788353 /nfs/dbraw/zinc/78/83/53/712788353.db2.gz AZFVWMPDLQZMRR-SNVBAGLBSA-N 2 1 225.361 1.622 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000721767207 710685399 /nfs/dbraw/zinc/68/53/99/710685399.db2.gz FKGQIYREGLFNSS-MCIONIFRSA-N 2 1 242.407 1.822 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380462054 712901085 /nfs/dbraw/zinc/90/10/85/712901085.db2.gz JMCQHECZJZRISC-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380462054 712901086 /nfs/dbraw/zinc/90/10/86/712901086.db2.gz JMCQHECZJZRISC-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1CC[NH3+] ZINC000723886566 710732489 /nfs/dbraw/zinc/73/24/89/710732489.db2.gz LCWMPMUNRLHXSQ-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)O1 ZINC000723887721 710733424 /nfs/dbraw/zinc/73/34/24/710733424.db2.gz WWIDUBUTGXIHPO-FDYHWXHSSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000133085189 710967756 /nfs/dbraw/zinc/96/77/56/710967756.db2.gz FNFHVNCETAGIOQ-NWDGAFQWSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382954680 710976593 /nfs/dbraw/zinc/97/65/93/710976593.db2.gz ZJXWDNIKPCTPRC-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1CCCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382954680 710976597 /nfs/dbraw/zinc/97/65/97/710976597.db2.gz ZJXWDNIKPCTPRC-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000383448199 710982124 /nfs/dbraw/zinc/98/21/24/710982124.db2.gz JDRRUIULMFIUOT-SNVBAGLBSA-N 2 1 248.317 1.471 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000383874799 710986405 /nfs/dbraw/zinc/98/64/05/710986405.db2.gz BPFBQWDXXTWNKQ-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000383874799 710986407 /nfs/dbraw/zinc/98/64/07/710986407.db2.gz BPFBQWDXXTWNKQ-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)O ZINC000386796077 711036954 /nfs/dbraw/zinc/03/69/54/711036954.db2.gz PFZSUTHMTQJBBA-ZZIFITQXSA-N 2 1 226.364 1.361 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCCC2CC2)CCO1 ZINC000394617539 711195102 /nfs/dbraw/zinc/19/51/02/711195102.db2.gz OXEYGJYVFYMZLQ-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCC2CC2)CCO1 ZINC000394617539 711195105 /nfs/dbraw/zinc/19/51/05/711195105.db2.gz OXEYGJYVFYMZLQ-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394062342 711183374 /nfs/dbraw/zinc/18/33/74/711183374.db2.gz PGLKEBQSZAUXKN-RLAWYHOSSA-N 2 1 240.391 1.466 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396678041 711365202 /nfs/dbraw/zinc/36/52/02/711365202.db2.gz USEKGHZMXKFUCG-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP CC(C)COCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396689085 711364454 /nfs/dbraw/zinc/36/44/54/711364454.db2.gz ZQAMFEGNBYFYKM-OLZOCXBDSA-N 2 1 228.380 1.779 20 0 BDADMP C[NH+](C)C1(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000397785297 711391276 /nfs/dbraw/zinc/39/12/76/711391276.db2.gz AXLKGGRQWFWCMB-UHFFFAOYSA-N 2 1 224.352 1.137 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC(F)F ZINC000398185537 711404199 /nfs/dbraw/zinc/40/41/99/711404199.db2.gz OMPLBVDEVJZRDC-SFYZADRCSA-N 2 1 208.252 1.037 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC(F)F ZINC000398185537 711404203 /nfs/dbraw/zinc/40/42/03/711404203.db2.gz OMPLBVDEVJZRDC-SFYZADRCSA-N 2 1 208.252 1.037 20 0 BDADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC([NH3+])C1 ZINC000399441625 711430649 /nfs/dbraw/zinc/43/06/49/711430649.db2.gz WFNIYLSXVQZUMD-AFPNSQJFSA-N 2 1 237.174 1.992 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000721915867 710690936 /nfs/dbraw/zinc/69/09/36/710690936.db2.gz VXMGPVUWCBEYEA-SRVKXCTJSA-N 2 1 214.353 1.327 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000721963724 710693615 /nfs/dbraw/zinc/69/36/15/710693615.db2.gz LDXYPUIHVWRJTG-RDBSUJKOSA-N 2 1 242.407 1.822 20 0 BDADMP CSC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396621873 711361974 /nfs/dbraw/zinc/36/19/74/711361974.db2.gz DNTVEFBQVCVXPY-NXEZZACHSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000396618003 711361992 /nfs/dbraw/zinc/36/19/92/711361992.db2.gz UCGHHBLZSUVKAZ-YPMHNXCESA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396650276 711363094 /nfs/dbraw/zinc/36/30/94/711363094.db2.gz DHAJQMJFPQXGSI-GRYCIOLGSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000396669772 711364873 /nfs/dbraw/zinc/36/48/73/711364873.db2.gz QKAHWDWSYIIOFR-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)OC ZINC000396724011 711365251 /nfs/dbraw/zinc/36/52/51/711365251.db2.gz VBIYEYQZLVQXMJ-RNJOBUHISA-N 2 1 228.380 1.778 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396691874 711365271 /nfs/dbraw/zinc/36/52/71/711365271.db2.gz LGQQHAGRFXYFRV-TUAOUCFPSA-N 2 1 214.353 1.125 20 0 BDADMP CCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)COC1 ZINC000396705444 711365846 /nfs/dbraw/zinc/36/58/46/711365846.db2.gz JCKKCYKUPOWCMF-MNOVXSKESA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H](CN[C@H]1CCC[NH2+][C@H]1C)[N@@H+](C)C1CC1 ZINC000396713664 711366426 /nfs/dbraw/zinc/36/64/26/711366426.db2.gz QKQQMLYGQAXFRN-GVXVVHGQSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000396723702 711368735 /nfs/dbraw/zinc/36/87/35/711368735.db2.gz UXWYUYQHLGPYFC-VXGBXAGGSA-N 2 1 222.336 1.003 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CC2CCC1CC2 ZINC000399890464 711436378 /nfs/dbraw/zinc/43/63/78/711436378.db2.gz JBIZPRHXYXEUJG-IFWUJCSASA-N 2 1 226.364 1.064 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000712557932 711472826 /nfs/dbraw/zinc/47/28/26/711472826.db2.gz OWGAEQBBDADNTN-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000720418086 711478446 /nfs/dbraw/zinc/47/84/46/711478446.db2.gz XFTUPHSVMUXHLE-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000717922904 711492712 /nfs/dbraw/zinc/49/27/12/711492712.db2.gz NWBIXSVGGSETND-NDBYEHHHSA-N 2 1 226.364 1.613 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000714439939 711506000 /nfs/dbraw/zinc/50/60/00/711506000.db2.gz ZIWZTEFOFROODK-ZDEQEGDKSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000714439939 711506002 /nfs/dbraw/zinc/50/60/02/711506002.db2.gz ZIWZTEFOFROODK-ZDEQEGDKSA-N 2 1 226.364 1.484 20 0 BDADMP Cc1cn(C)nc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000723495393 711513149 /nfs/dbraw/zinc/51/31/49/711513149.db2.gz PRDLJUOJPVXADK-UHFFFAOYSA-N 2 1 236.363 1.430 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000235709045 711524549 /nfs/dbraw/zinc/52/45/49/711524549.db2.gz OGTSCOZTQSQGSZ-CYBMUJFWSA-N 2 1 220.316 1.563 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2)C1 ZINC000235708904 711524664 /nfs/dbraw/zinc/52/46/64/711524664.db2.gz CZXQMHHRQBMABP-CYBMUJFWSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000235708904 711524665 /nfs/dbraw/zinc/52/46/65/711524665.db2.gz CZXQMHHRQBMABP-CYBMUJFWSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723626654 711526571 /nfs/dbraw/zinc/52/65/71/711526571.db2.gz CFIAJVIQEIOQRL-WRWGMCAJSA-N 2 1 212.337 1.128 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000723668807 711533029 /nfs/dbraw/zinc/53/30/29/711533029.db2.gz DGCQKUUPLDSYRZ-LBPRGKRZSA-N 2 1 236.363 1.635 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723670525 711533190 /nfs/dbraw/zinc/53/31/90/711533190.db2.gz UJUCJDDZHNRKSD-LLVKDONJSA-N 2 1 236.363 1.153 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000723671197 711533285 /nfs/dbraw/zinc/53/32/85/711533285.db2.gz XYUAFOIPYAHFDV-LLVKDONJSA-N 2 1 235.331 1.261 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)on1 ZINC000723691785 711533925 /nfs/dbraw/zinc/53/39/25/711533925.db2.gz URUYQBNLXSKNHT-SNVBAGLBSA-N 2 1 209.293 1.154 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713676 711536114 /nfs/dbraw/zinc/53/61/14/711536114.db2.gz XITHKGCKKLUOHU-JTQLQIEISA-N 2 1 225.361 1.622 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCO[C@H]1CCOC1 ZINC000724926556 711629458 /nfs/dbraw/zinc/62/94/58/711629458.db2.gz RQODRJAJFNZKHV-STQMWFEESA-N 2 1 244.379 1.097 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000719829713 711676081 /nfs/dbraw/zinc/67/60/81/711676081.db2.gz CFOKNPCSPWMWIG-ZJUUUORDSA-N 2 1 225.361 1.355 20 0 BDADMP CC1(C)C[C@@H]([NH2+]Cc2cc[nH]n2)C[C@@H]([NH3+])C1 ZINC000925548884 711700201 /nfs/dbraw/zinc/70/02/01/711700201.db2.gz JIOHORKUSOPPPB-KOLCDFICSA-N 2 1 222.336 1.405 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000310082814 711703093 /nfs/dbraw/zinc/70/30/93/711703093.db2.gz KQPKKVWPTIBQOL-ZIAGYGMSSA-N 2 1 240.391 1.598 20 0 BDADMP [NH3+]CCC[C@H](NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700941 711710577 /nfs/dbraw/zinc/71/05/77/711710577.db2.gz XQFWMKTZCICUAX-CABCVRRESA-N 2 1 247.386 1.794 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000227708886 711832582 /nfs/dbraw/zinc/83/25/82/711832582.db2.gz ANHRISKKBFTKIY-IACUBPJLSA-N 2 1 234.343 1.532 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229067707 711837262 /nfs/dbraw/zinc/83/72/62/711837262.db2.gz ZLEKLXWBQOGAES-PWSUYJOCSA-N 2 1 236.363 1.145 20 0 BDADMP COCC[N@@H+](CCF)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000700383990 711991508 /nfs/dbraw/zinc/99/15/08/711991508.db2.gz GHHDPTDSMTWNQT-NWDGAFQWSA-N 2 1 232.343 1.292 20 0 BDADMP CCn1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cn1 ZINC000700564406 711996102 /nfs/dbraw/zinc/99/61/02/711996102.db2.gz QGPSCXCNGCISDZ-NSHDSACASA-N 2 1 224.352 1.333 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](CCF)C2)C1 ZINC000700555853 711997184 /nfs/dbraw/zinc/99/71/84/711997184.db2.gz IUEUVKUPWGNCJS-TUAOUCFPSA-N 2 1 230.327 1.174 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000700819913 712007166 /nfs/dbraw/zinc/00/71/66/712007166.db2.gz VZDMRZJXJLUGKI-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)C[C@]2(C)C1 ZINC000702288695 712044841 /nfs/dbraw/zinc/04/48/41/712044841.db2.gz XIXASRUVUJPRFU-SYQHCUMBSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)C[C@]2(C)C1 ZINC000702288695 712044844 /nfs/dbraw/zinc/04/48/44/712044844.db2.gz XIXASRUVUJPRFU-SYQHCUMBSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@]2(C)C1 ZINC000702288695 712044846 /nfs/dbraw/zinc/04/48/46/712044846.db2.gz XIXASRUVUJPRFU-SYQHCUMBSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)C[C@]2(C)C1 ZINC000702288695 712044848 /nfs/dbraw/zinc/04/48/48/712044848.db2.gz XIXASRUVUJPRFU-SYQHCUMBSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CC1(C)C)C1CC1 ZINC000702340116 712047688 /nfs/dbraw/zinc/04/76/88/712047688.db2.gz UZSDAZMYSYQZAT-TZMCWYRMSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CC1(C)C)C1CC1 ZINC000702340116 712047691 /nfs/dbraw/zinc/04/76/91/712047691.db2.gz UZSDAZMYSYQZAT-TZMCWYRMSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCCCCCC2)C1 ZINC000702554303 712055188 /nfs/dbraw/zinc/05/51/88/712055188.db2.gz TUTUIXASBXIBHW-AWEZNQCLSA-N 2 1 240.391 1.756 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCCCCCC2)C1 ZINC000702554303 712055189 /nfs/dbraw/zinc/05/51/89/712055189.db2.gz TUTUIXASBXIBHW-AWEZNQCLSA-N 2 1 240.391 1.756 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703008231 712063946 /nfs/dbraw/zinc/06/39/46/712063946.db2.gz HLUGSJDXCOVBQG-HSBZDZAISA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000703534739 712077973 /nfs/dbraw/zinc/07/79/73/712077973.db2.gz LYJLVFDMTFCKSB-QNWHQSFQSA-N 2 1 237.391 1.057 20 0 BDADMP CN1CC[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000703534739 712077975 /nfs/dbraw/zinc/07/79/75/712077975.db2.gz LYJLVFDMTFCKSB-QNWHQSFQSA-N 2 1 237.391 1.057 20 0 BDADMP COC1CC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000703851415 712090444 /nfs/dbraw/zinc/09/04/44/712090444.db2.gz XJCHHXPTFYJVBA-KPFVRQRISA-N 2 1 224.348 1.095 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000703851415 712090447 /nfs/dbraw/zinc/09/04/47/712090447.db2.gz XJCHHXPTFYJVBA-KPFVRQRISA-N 2 1 224.348 1.095 20 0 BDADMP COC1CC(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000703855411 712090898 /nfs/dbraw/zinc/09/08/98/712090898.db2.gz LUKKIOZBLHVARG-BPCQOVAHSA-N 2 1 224.348 1.097 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](CCC(C)(C)O)C[C@@]2(C)C1 ZINC000705669192 712134938 /nfs/dbraw/zinc/13/49/38/712134938.db2.gz LLQPOJKNBDSCAB-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000708285120 712185696 /nfs/dbraw/zinc/18/56/96/712185696.db2.gz DZCZMTXJUXQPFY-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708322815 712187093 /nfs/dbraw/zinc/18/70/93/712187093.db2.gz HTLNNJBODGNBGS-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708321755 712186666 /nfs/dbraw/zinc/18/66/66/712186666.db2.gz ACGBIZUZPUCNGT-RWMBFGLXSA-N 2 1 240.391 1.861 20 0 BDADMP CC1(C)C[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)C(C)(C)O1 ZINC000709689616 712215436 /nfs/dbraw/zinc/21/54/36/712215436.db2.gz WNDXHNYZUWLRLL-QWRGUYRKSA-N 2 1 226.364 1.613 20 0 BDADMP CC1(C)C[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)C(C)(C)O1 ZINC000709689616 712215437 /nfs/dbraw/zinc/21/54/37/712215437.db2.gz WNDXHNYZUWLRLL-QWRGUYRKSA-N 2 1 226.364 1.613 20 0 BDADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C(C)(C)O1 ZINC000709687396 712215522 /nfs/dbraw/zinc/21/55/22/712215522.db2.gz PRRAMGNZXOOCNC-RYUDHWBXSA-N 2 1 240.391 1.861 20 0 BDADMP CC[N@@H+](CCC(=O)OC)CC1CC[NH+](C)CC1 ZINC000709481570 712222839 /nfs/dbraw/zinc/22/28/39/712222839.db2.gz HJBOXYRRTRBLAU-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)O1 ZINC000709789046 712226760 /nfs/dbraw/zinc/22/67/60/712226760.db2.gz GAZYNNXUQWRZSC-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709787832 712226785 /nfs/dbraw/zinc/22/67/85/712226785.db2.gz BKOCNKHVWZAVKZ-ZDUSSCGKSA-N 2 1 234.347 1.028 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709847692 712229466 /nfs/dbraw/zinc/22/94/66/712229466.db2.gz BFQSGXSMTZEZHW-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cn(C)cn1 ZINC000709911240 712232626 /nfs/dbraw/zinc/23/26/26/712232626.db2.gz UHJUDSKGMZPGKE-LLVKDONJSA-N 2 1 234.347 1.333 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn(C)cn1 ZINC000709911240 712232628 /nfs/dbraw/zinc/23/26/28/712232628.db2.gz UHJUDSKGMZPGKE-LLVKDONJSA-N 2 1 234.347 1.333 20 0 BDADMP CCn1ccnc1C[N@H+](C)CCCCCC[NH3+] ZINC000710713723 712254691 /nfs/dbraw/zinc/25/46/91/712254691.db2.gz JSPULBDGELIUPP-UHFFFAOYSA-N 2 1 238.379 1.854 20 0 BDADMP CCn1ccnc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710713723 712254692 /nfs/dbraw/zinc/25/46/92/712254692.db2.gz JSPULBDGELIUPP-UHFFFAOYSA-N 2 1 238.379 1.854 20 0 BDADMP CC[C@H](C)NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710749608 712255243 /nfs/dbraw/zinc/25/52/43/712255243.db2.gz IVNJTSSUFNTOCL-LBPRGKRZSA-N 2 1 243.395 1.352 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CCC1(OC)OC ZINC000710985800 712271576 /nfs/dbraw/zinc/27/15/76/712271576.db2.gz CUQOVMPVGOTLGG-LBPRGKRZSA-N 2 1 244.379 1.459 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711540645 712309436 /nfs/dbraw/zinc/30/94/36/712309436.db2.gz DYPGFSUSMYGFIS-TXEJJXNPSA-N 2 1 226.389 1.281 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711734117 712320884 /nfs/dbraw/zinc/32/08/84/712320884.db2.gz YHZCOBCERANOFQ-WDEREUQCSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](CCOC1CC1)C1CCC([NH3+])CC1 ZINC000711732284 712321106 /nfs/dbraw/zinc/32/11/06/712321106.db2.gz PTXYMJGGEYHDDG-UHFFFAOYSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711783847 712329553 /nfs/dbraw/zinc/32/95/53/712329553.db2.gz BOZDMWNANXTNAS-IJLUTSLNSA-N 2 1 226.364 1.471 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438266 712429704 /nfs/dbraw/zinc/42/97/04/712429704.db2.gz NURBPEZGRWNXPL-STQMWFEESA-N 2 1 238.375 1.759 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000712439353 712429726 /nfs/dbraw/zinc/42/97/26/712429726.db2.gz TZOJDYBORNOLIE-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000712439353 712429727 /nfs/dbraw/zinc/42/97/27/712429727.db2.gz TZOJDYBORNOLIE-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000712440301 712429767 /nfs/dbraw/zinc/42/97/67/712429767.db2.gz ZYROTDPSNNIOME-XQQFMLRXSA-N 2 1 236.359 1.239 20 0 BDADMP C[N@H+]1CCN(CC(C)(C)[NH3+])CCC1(C)C ZINC000712602372 712436758 /nfs/dbraw/zinc/43/67/58/712436758.db2.gz DUTHYFNLYKLFEY-UHFFFAOYSA-N 2 1 213.369 1.140 20 0 BDADMP CC(C)COCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712553477 712444851 /nfs/dbraw/zinc/44/48/51/712444851.db2.gz BITQDDDTMJGAGZ-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)COCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712553477 712444852 /nfs/dbraw/zinc/44/48/52/712444852.db2.gz BITQDDDTMJGAGZ-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CCCOC(F)(F)F ZINC000713399358 712459058 /nfs/dbraw/zinc/45/90/58/712459058.db2.gz YAKYDJFIQQFCLH-SSDOTTSWSA-N 2 1 214.231 1.192 20 0 BDADMP CC1(C)CC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)OC1 ZINC000713585572 712465948 /nfs/dbraw/zinc/46/59/48/712465948.db2.gz JTJCUVSMYUWJGE-XQQFMLRXSA-N 2 1 238.375 1.343 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000713749522 712471213 /nfs/dbraw/zinc/47/12/13/712471213.db2.gz QQLUNSIUBFGHFI-NQHOJNORSA-N 2 1 235.375 1.098 20 0 BDADMP CC1(C)CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000714375491 712484664 /nfs/dbraw/zinc/48/46/64/712484664.db2.gz UWWMAPULBGFDEZ-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000714607171 712488393 /nfs/dbraw/zinc/48/83/93/712488393.db2.gz VMGYQAGMNXPKJI-AAVRWANBSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CC[C@@H]1C[C@H]1C1CC1 ZINC000714833231 712500925 /nfs/dbraw/zinc/50/09/25/712500925.db2.gz TUBWMEBQTZSCGF-OLZOCXBDSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714831015 712501205 /nfs/dbraw/zinc/50/12/05/712501205.db2.gz NAMANZCZXPUQLW-JHEVNIALSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714831015 712501206 /nfs/dbraw/zinc/50/12/06/712501206.db2.gz NAMANZCZXPUQLW-JHEVNIALSA-N 2 1 208.349 1.844 20 0 BDADMP C[NH+](C)C1(C)CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000715489065 712522737 /nfs/dbraw/zinc/52/27/37/712522737.db2.gz CIUIXHDANKQURO-OTTFEQOBSA-N 2 1 225.380 1.201 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000379960210 712636643 /nfs/dbraw/zinc/63/66/43/712636643.db2.gz AZWMXSVAZRCPKE-SNIKSBKOSA-N 2 1 234.343 1.265 20 0 BDADMP C[C@@H](CNC(=[NH2+])NC1CCCC1)[N@@H+](C)C1CC1 ZINC000221247141 712658580 /nfs/dbraw/zinc/65/85/80/712658580.db2.gz HHPPXBFYPKTSGX-JTQLQIEISA-N 2 1 238.379 1.526 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000380142303 712699220 /nfs/dbraw/zinc/69/92/20/712699220.db2.gz YVJZARIMTRZKCC-SECBINFHSA-N 2 1 226.349 1.099 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C1CCC=CCC1)C1CC1 ZINC000718065466 712741464 /nfs/dbraw/zinc/74/14/64/712741464.db2.gz AEIKMQPBOZGSOO-CQSZACIVSA-N 2 1 238.375 1.530 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCC=CCC1)C1CC1 ZINC000718065466 712741465 /nfs/dbraw/zinc/74/14/65/712741465.db2.gz AEIKMQPBOZGSOO-CQSZACIVSA-N 2 1 238.375 1.530 20 0 BDADMP Cc1coc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000718091205 712742346 /nfs/dbraw/zinc/74/23/46/712742346.db2.gz CRTNJYKSWOVHAG-GHMZBOCLSA-N 2 1 206.289 1.239 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000718915775 712788241 /nfs/dbraw/zinc/78/82/41/712788241.db2.gz AZFVWMPDLQZMRR-JTQLQIEISA-N 2 1 225.361 1.622 20 0 BDADMP CC(C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720161324 712828660 /nfs/dbraw/zinc/82/86/60/712828660.db2.gz CYTPMFVYSWBWGT-OLZOCXBDSA-N 2 1 240.391 1.779 20 0 BDADMP CC[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720291370 712830388 /nfs/dbraw/zinc/83/03/88/712830388.db2.gz FBCGRZRNLHQDFX-RYUDHWBXSA-N 2 1 226.364 1.533 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(C)nn1 ZINC000720583254 712854936 /nfs/dbraw/zinc/85/49/36/712854936.db2.gz PBIVOOUDPAOQTH-GFCCVEGCSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)nn1 ZINC000720583254 712854937 /nfs/dbraw/zinc/85/49/37/712854937.db2.gz PBIVOOUDPAOQTH-GFCCVEGCSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)nn1 ZINC000720588963 712855179 /nfs/dbraw/zinc/85/51/79/712855179.db2.gz ZNNPMEQZFUZUQD-CYBMUJFWSA-N 2 1 248.374 1.654 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)O1 ZINC000720862888 712871360 /nfs/dbraw/zinc/87/13/60/712871360.db2.gz VUXFYJLPHDEXQB-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1[nH+]ccn1CCCN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720937883 712880365 /nfs/dbraw/zinc/88/03/65/712880365.db2.gz STTWOIPSFAOWDI-UONOGXRCSA-N 2 1 248.374 1.408 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](O)[C@H](F)CC2)C1 ZINC001208607284 957085943 /nfs/dbraw/zinc/08/59/43/957085943.db2.gz LHTQJTXXEDVXMC-YNEHKIRRSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)C1 ZINC001208607284 957085951 /nfs/dbraw/zinc/08/59/51/957085951.db2.gz LHTQJTXXEDVXMC-YNEHKIRRSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](O)[C@H](F)CC2)C1 ZINC001208607284 957085967 /nfs/dbraw/zinc/08/59/67/957085967.db2.gz LHTQJTXXEDVXMC-YNEHKIRRSA-N 2 1 244.354 1.123 20 0 BDADMP COC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208603588 957088182 /nfs/dbraw/zinc/08/81/82/957088182.db2.gz FFJFXBLMDPGOMK-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208603588 957088191 /nfs/dbraw/zinc/08/81/91/957088191.db2.gz FFJFXBLMDPGOMK-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208603588 957088211 /nfs/dbraw/zinc/08/82/11/957088211.db2.gz FFJFXBLMDPGOMK-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603588 957088224 /nfs/dbraw/zinc/08/82/24/957088224.db2.gz FFJFXBLMDPGOMK-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP Nc1nc(N2CC[NH+](C3CCCC3)CC2)cc[nH+]1 ZINC000117955138 721858583 /nfs/dbraw/zinc/85/85/83/721858583.db2.gz IZNMPMXKOHZUQQ-UHFFFAOYSA-N 2 1 247.346 1.123 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(c2cccc(N)[nH+]2)C1 ZINC000087731540 721888097 /nfs/dbraw/zinc/88/80/97/721888097.db2.gz NPMBJWGAAMFPGO-SNVBAGLBSA-N 2 1 220.320 1.194 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399033062 958488576 /nfs/dbraw/zinc/48/85/76/958488576.db2.gz MWOJHBNFDJKCPG-UTUOFQBUSA-N 2 1 214.353 1.124 20 0 BDADMP COCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000308855823 959520831 /nfs/dbraw/zinc/52/08/31/959520831.db2.gz OAWNWRVIDLHUPY-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000309466267 959879830 /nfs/dbraw/zinc/87/98/30/959879830.db2.gz SVIJCPRKPLLYOO-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CC[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)O ZINC000709404771 960581724 /nfs/dbraw/zinc/58/17/24/960581724.db2.gz DIDDOXUQRDOOTI-UHFFFAOYSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712818204 962982698 /nfs/dbraw/zinc/98/26/98/962982698.db2.gz RDVKWGSQOMPYNJ-NEPJUHHUSA-N 2 1 240.347 1.095 20 0 BDADMP Cc1cc[nH+]c(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001159491057 964110732 /nfs/dbraw/zinc/11/07/32/964110732.db2.gz ZSNRMRJMCXPIHK-WDEREUQCSA-N 2 1 221.304 1.179 20 0 BDADMP CCC[NH+](C)CCN(C)C(=O)C[N@@H+](C)CCC ZINC001272158140 964291032 /nfs/dbraw/zinc/29/10/32/964291032.db2.gz CBKSBYJVAMNMEO-UHFFFAOYSA-N 2 1 243.395 1.128 20 0 BDADMP Cc1nnc(CNCC2=CC[N@@H+](C)CC2)s1 ZINC000698295829 965190159 /nfs/dbraw/zinc/19/01/59/965190159.db2.gz CMJWKSHPORIVKY-UHFFFAOYSA-N 2 1 238.360 1.198 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000698235478 965120741 /nfs/dbraw/zinc/12/07/41/965120741.db2.gz FCSKFQAYLJQWMB-ZJUUUORDSA-N 2 1 202.317 1.855 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205130459 965931030 /nfs/dbraw/zinc/93/10/30/965931030.db2.gz FDRLWRMHYSCDGH-WDEREUQCSA-N 2 1 226.364 1.518 20 0 BDADMP C[N@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001235341533 966043456 /nfs/dbraw/zinc/04/34/56/966043456.db2.gz BCMVTBOUQMXCOX-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001235341533 966043472 /nfs/dbraw/zinc/04/34/72/966043472.db2.gz BCMVTBOUQMXCOX-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP Cc1c[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)c(C)c1 ZINC001166956090 966481286 /nfs/dbraw/zinc/48/12/86/966481286.db2.gz VHSJKWIPCUNZCK-GFCCVEGCSA-N 2 1 219.332 1.744 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ncco2)CC1 ZINC001205570213 967698970 /nfs/dbraw/zinc/69/89/70/967698970.db2.gz HGIZFUKVTYZPIG-LLVKDONJSA-N 2 1 227.283 1.328 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ncco2)CC1 ZINC001205570213 967698976 /nfs/dbraw/zinc/69/89/76/967698976.db2.gz HGIZFUKVTYZPIG-LLVKDONJSA-N 2 1 227.283 1.328 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205985323 967936110 /nfs/dbraw/zinc/93/61/10/967936110.db2.gz XIQFNOSJPFAXCK-RYUDHWBXSA-N 2 1 242.363 1.246 20 0 BDADMP CC[N@H+]1CCC[C@H](OCCC[NH+](C)C)C1 ZINC001206294713 968200569 /nfs/dbraw/zinc/20/05/69/968200569.db2.gz BBHYZRFDJKAJLR-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC1(C[N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001206606212 968416089 /nfs/dbraw/zinc/41/60/89/968416089.db2.gz HEWSYFWAEVJJOI-ZDUSSCGKSA-N 2 1 239.407 1.437 20 0 BDADMP CCCC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC001252077752 968493267 /nfs/dbraw/zinc/49/32/67/968493267.db2.gz VXOPHSSWCLWRSR-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[NH+]1CCC([N@@H+](C)CC(C)(C)O)CC1 ZINC001252356502 968633227 /nfs/dbraw/zinc/63/32/27/968633227.db2.gz HNNXIWCYIGYNJS-UHFFFAOYSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[N@H+](CCC[NH+](C)C)CC(OC)OC ZINC001207255018 968698668 /nfs/dbraw/zinc/69/86/68/968698668.db2.gz JCUUMOLWVHSOAD-UHFFFAOYSA-N 2 1 232.368 1.269 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)CC(OC)OC ZINC001207255018 968698672 /nfs/dbraw/zinc/69/86/72/968698672.db2.gz JCUUMOLWVHSOAD-UHFFFAOYSA-N 2 1 232.368 1.269 20 0 BDADMP C[NH+](C)CC(C)(C)CN1CC[N@@H+](C)C(C)(C)C1 ZINC001207282462 968719354 /nfs/dbraw/zinc/71/93/54/968719354.db2.gz KARSADLVTLRRAF-UHFFFAOYSA-N 2 1 241.423 1.600 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CCC1=O ZINC001207395928 968750148 /nfs/dbraw/zinc/75/01/48/968750148.db2.gz ZSISFTMGHAOGAF-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP CC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207440836 968774245 /nfs/dbraw/zinc/77/42/45/968774245.db2.gz GXEPEHLMWGMRNY-CYBMUJFWSA-N 2 1 224.348 1.430 20 0 BDADMP COC[C@@H](C)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001207691263 968862639 /nfs/dbraw/zinc/86/26/39/968862639.db2.gz CZNVCFBVHKBOKL-XQQFMLRXSA-N 2 1 226.364 1.152 20 0 BDADMP COC[C@@H](C)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001207691263 968862641 /nfs/dbraw/zinc/86/26/41/968862641.db2.gz CZNVCFBVHKBOKL-XQQFMLRXSA-N 2 1 226.364 1.152 20 0 BDADMP COC[C@@H](C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001207691263 968862650 /nfs/dbraw/zinc/86/26/50/968862650.db2.gz CZNVCFBVHKBOKL-XQQFMLRXSA-N 2 1 226.364 1.152 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001252789151 968967606 /nfs/dbraw/zinc/96/76/06/968967606.db2.gz MXRBANKUWMPKJU-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)C2(C)COC2)CC1 ZINC001208597536 969151050 /nfs/dbraw/zinc/15/10/50/969151050.db2.gz IXUPYPISLNITML-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001208603230 969158064 /nfs/dbraw/zinc/15/80/64/969158064.db2.gz WULDVPDUDVKMPA-QWHCGFSZSA-N 2 1 224.348 1.191 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001208603230 969158067 /nfs/dbraw/zinc/15/80/67/969158067.db2.gz WULDVPDUDVKMPA-QWHCGFSZSA-N 2 1 224.348 1.191 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208607206 969165759 /nfs/dbraw/zinc/16/57/59/969165759.db2.gz JQJOJNOHQIIMSU-WOPDTQHZSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208607206 969165767 /nfs/dbraw/zinc/16/57/67/969165767.db2.gz JQJOJNOHQIIMSU-WOPDTQHZSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@H](F)C[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208607206 969165769 /nfs/dbraw/zinc/16/57/69/969165769.db2.gz JQJOJNOHQIIMSU-WOPDTQHZSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@H](F)C[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208607206 969165773 /nfs/dbraw/zinc/16/57/73/969165773.db2.gz JQJOJNOHQIIMSU-WOPDTQHZSA-N 2 1 214.328 1.761 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCCOC(C)(C)C2)C1 ZINC001208613456 969170945 /nfs/dbraw/zinc/17/09/45/969170945.db2.gz UKVLAVSRMAHPOA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCOC(C)(C)C2)C1 ZINC001208613456 969170949 /nfs/dbraw/zinc/17/09/49/969170949.db2.gz UKVLAVSRMAHPOA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCCOC(C)(C)C2)C1 ZINC001208613456 969170953 /nfs/dbraw/zinc/17/09/53/969170953.db2.gz UKVLAVSRMAHPOA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCC[C@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001253563624 969234461 /nfs/dbraw/zinc/23/44/61/969234461.db2.gz LHYTZVMCHALRRE-LBPRGKRZSA-N 2 1 239.363 1.873 20 0 BDADMP CC[N@@H+](CCCOCOC)CCC[NH+](C)C ZINC001209030842 969326939 /nfs/dbraw/zinc/32/69/39/969326939.db2.gz CHXANSONOVQHPU-UHFFFAOYSA-N 2 1 232.368 1.271 20 0 BDADMP COCOCCC[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001209032719 969325932 /nfs/dbraw/zinc/32/59/32/969325932.db2.gz UDVCPPHVHWYSGT-STQMWFEESA-N 2 1 242.363 1.023 20 0 BDADMP COCC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209209664 969397923 /nfs/dbraw/zinc/39/79/23/969397923.db2.gz DXJWCRFBNVOWSD-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209223664 969409319 /nfs/dbraw/zinc/40/93/19/969409319.db2.gz KLEBGKRLFKRJDH-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP CC1(F)CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209728869 969581752 /nfs/dbraw/zinc/58/17/52/969581752.db2.gz WUPSLUNBFWNQDN-UHFFFAOYSA-N 2 1 223.295 1.818 20 0 BDADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001169434968 969645989 /nfs/dbraw/zinc/64/59/89/969645989.db2.gz LQNYTQCOQLINHJ-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001169434968 969646005 /nfs/dbraw/zinc/64/60/05/969646005.db2.gz LQNYTQCOQLINHJ-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP C[NH+]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254500156 969663352 /nfs/dbraw/zinc/66/33/52/969663352.db2.gz GMNSGMMMPOZIMN-ZIAGYGMSSA-N 3 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@@H](N[C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254500156 969663362 /nfs/dbraw/zinc/66/33/62/969663362.db2.gz GMNSGMMMPOZIMN-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@@H](N[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254500156 969663372 /nfs/dbraw/zinc/66/33/72/969663372.db2.gz GMNSGMMMPOZIMN-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCCC(C)(C)O)CC1 ZINC001254507571 969681939 /nfs/dbraw/zinc/68/19/39/969681939.db2.gz MZUPEFYJADUANQ-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC(C3COC3)C2)CC1 ZINC001254516989 969695302 /nfs/dbraw/zinc/69/53/02/969695302.db2.gz QTXWZSDHXOCOAF-CYBMUJFWSA-N 2 1 224.348 1.049 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCC[C@H]1O ZINC001254517635 969698896 /nfs/dbraw/zinc/69/88/96/969698896.db2.gz XPYVHZUVQIRDGM-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCC[C@H]1O ZINC001254517635 969698903 /nfs/dbraw/zinc/69/89/03/969698903.db2.gz XPYVHZUVQIRDGM-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCC[C@H]1O ZINC001254517635 969698909 /nfs/dbraw/zinc/69/89/09/969698909.db2.gz XPYVHZUVQIRDGM-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254517081 969699658 /nfs/dbraw/zinc/69/96/58/969699658.db2.gz RXZHOUIGHSHCMG-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254517081 969699668 /nfs/dbraw/zinc/69/96/68/969699668.db2.gz RXZHOUIGHSHCMG-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522581 969706678 /nfs/dbraw/zinc/70/66/78/969706678.db2.gz HKIXQACJLYXNDO-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C[C@@H]1CCCCO1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522581 969706692 /nfs/dbraw/zinc/70/66/92/969706692.db2.gz HKIXQACJLYXNDO-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522581 969706703 /nfs/dbraw/zinc/70/67/03/969706703.db2.gz HKIXQACJLYXNDO-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCOC(C)(C)C2)CC1 ZINC001254522151 969706798 /nfs/dbraw/zinc/70/67/98/969706798.db2.gz CYJMXVCKKICLHH-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCOC(C)(C)C2)CC1 ZINC001254522151 969706807 /nfs/dbraw/zinc/70/68/07/969706807.db2.gz CYJMXVCKKICLHH-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCOC(C)(C)C2)CC1 ZINC001254522151 969706815 /nfs/dbraw/zinc/70/68/15/969706815.db2.gz CYJMXVCKKICLHH-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@H](F)C2)CC1 ZINC001254522374 969707865 /nfs/dbraw/zinc/70/78/65/969707865.db2.gz FLBRXIRTRRTDRK-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](F)C2)CC1 ZINC001254522374 969707876 /nfs/dbraw/zinc/70/78/76/969707876.db2.gz FLBRXIRTRRTDRK-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](F)C2)CC1 ZINC001254522374 969707880 /nfs/dbraw/zinc/70/78/80/969707880.db2.gz FLBRXIRTRRTDRK-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](F)C2)CC1 ZINC001254522374 969707886 /nfs/dbraw/zinc/70/78/86/969707886.db2.gz FLBRXIRTRRTDRK-NWDGAFQWSA-N 2 1 214.328 1.905 20 0 BDADMP CC(=O)[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254526700 969715176 /nfs/dbraw/zinc/71/51/76/969715176.db2.gz TWHGNIAFXWZUAU-UONOGXRCSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254526700 969715185 /nfs/dbraw/zinc/71/51/85/969715185.db2.gz TWHGNIAFXWZUAU-UONOGXRCSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254526700 969715192 /nfs/dbraw/zinc/71/51/92/969715192.db2.gz TWHGNIAFXWZUAU-UONOGXRCSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1ccc(-n2ccc(C[NH3+])c2)[nH+]c1N ZINC001169723102 969835480 /nfs/dbraw/zinc/83/54/80/969835480.db2.gz MWAFRKGJYCSYQZ-UHFFFAOYSA-N 2 1 202.261 1.222 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255038428 969859959 /nfs/dbraw/zinc/85/99/59/969859959.db2.gz BSBJXZCWYWZQMQ-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255038428 969859961 /nfs/dbraw/zinc/85/99/61/969859961.db2.gz BSBJXZCWYWZQMQ-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CC[C@@H](N2C(C)(C)CC([NH3+])CC2(C)C)C1 ZINC001255410816 970128566 /nfs/dbraw/zinc/12/85/66/970128566.db2.gz BGEHDYBIPLNYDV-GFCCVEGCSA-N 2 1 239.407 1.671 20 0 BDADMP CN1CC[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C1 ZINC001255410816 970128568 /nfs/dbraw/zinc/12/85/68/970128568.db2.gz BGEHDYBIPLNYDV-GFCCVEGCSA-N 2 1 239.407 1.671 20 0 BDADMP C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC001255489557 970243845 /nfs/dbraw/zinc/24/38/45/970243845.db2.gz PESICASHXGDZHA-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP C[NH+]1CCC[C@H](N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001255489557 970243850 /nfs/dbraw/zinc/24/38/50/970243850.db2.gz PESICASHXGDZHA-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP C[NH+]1CCC[C@H](N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001255489557 970243859 /nfs/dbraw/zinc/24/38/59/970243859.db2.gz PESICASHXGDZHA-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP CC(C)[N@H+]1CCN([C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC001255493633 970254706 /nfs/dbraw/zinc/25/47/06/970254706.db2.gz DWPLXUYCEFVHDN-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC001255493633 970254714 /nfs/dbraw/zinc/25/47/14/970254714.db2.gz DWPLXUYCEFVHDN-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC001255493633 970254722 /nfs/dbraw/zinc/25/47/22/970254722.db2.gz DWPLXUYCEFVHDN-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+](CC)CC[C@H](C)n1c[nH+]cc1CC[NH3+] ZINC001255941821 970568028 /nfs/dbraw/zinc/56/80/28/970568028.db2.gz XOEJEUXSPMKUAF-LBPRGKRZSA-N 3 1 238.379 1.677 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCC[N@H+]1C ZINC001255943259 970575212 /nfs/dbraw/zinc/57/52/12/970575212.db2.gz LCCAJLGMOOFVMO-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC001255943259 970575223 /nfs/dbraw/zinc/57/52/23/970575223.db2.gz LCCAJLGMOOFVMO-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CSCCS1)[C@H]1CCC[NH2+]1 ZINC000400373682 970582881 /nfs/dbraw/zinc/58/28/81/970582881.db2.gz HVBHDLSDRBXYDG-GARJFASQSA-N 2 1 246.445 1.565 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](CO)C1 ZINC001255954782 970586688 /nfs/dbraw/zinc/58/66/88/970586688.db2.gz HZIWPJQBRBHNGM-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001255955567 970591404 /nfs/dbraw/zinc/59/14/04/970591404.db2.gz BTLCRPHLEGCEBO-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CC2(C1)CCOC2 ZINC001255954961 970591582 /nfs/dbraw/zinc/59/15/82/970591582.db2.gz LSDAOWQRWZIBJC-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@H](O)C1 ZINC001255958143 970594171 /nfs/dbraw/zinc/59/41/71/970594171.db2.gz YSSYQWFNOYQQHY-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC001255956500 970595912 /nfs/dbraw/zinc/59/59/12/970595912.db2.gz KUHREPAXKKQSCK-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](CO)C1 ZINC001255960547 970600485 /nfs/dbraw/zinc/60/04/85/970600485.db2.gz IKIXHNNCCCODGK-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+]1CCC([NH2+]C2CCC(CCO)CC2)CC1 ZINC001256200099 970697243 /nfs/dbraw/zinc/69/72/43/970697243.db2.gz NWHLHLJNQIVGOM-UHFFFAOYSA-N 2 1 240.391 1.611 20 0 BDADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](N)C2)CC1 ZINC001173101509 975023064 /nfs/dbraw/zinc/02/30/64/975023064.db2.gz ISYZPVZZSRLGIW-IYXRBSQSSA-N 2 1 239.407 1.672 20 0 BDADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N)C2)CC1 ZINC001173101509 975023069 /nfs/dbraw/zinc/02/30/69/975023069.db2.gz ISYZPVZZSRLGIW-IYXRBSQSSA-N 2 1 239.407 1.672 20 0 BDADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001173101509 975023074 /nfs/dbraw/zinc/02/30/74/975023074.db2.gz ISYZPVZZSRLGIW-IYXRBSQSSA-N 3 1 239.407 1.672 20 0 BDADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001173101509 975023078 /nfs/dbraw/zinc/02/30/78/975023078.db2.gz ISYZPVZZSRLGIW-IYXRBSQSSA-N 3 1 239.407 1.672 20 0 BDADMP CCN(CC[NH+](CC)CC)[C@@H]1CC[N@@H+](CC)C1 ZINC001173365509 975344708 /nfs/dbraw/zinc/34/47/08/975344708.db2.gz JWLUWWNRGGCQJU-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001173437977 975371672 /nfs/dbraw/zinc/37/16/72/975371672.db2.gz VAKZMJSPHZSBCV-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001173437977 975371679 /nfs/dbraw/zinc/37/16/79/975371679.db2.gz VAKZMJSPHZSBCV-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP COC(C)(C)C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277584678 977793965 /nfs/dbraw/zinc/79/39/65/977793965.db2.gz NPEMQZGAEARMDT-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1nc2c(o1)CC[N@H+](CCCC[NH3+])C2 ZINC001237187145 979837111 /nfs/dbraw/zinc/83/71/11/979837111.db2.gz DKOPHMVXJSQZHD-UHFFFAOYSA-N 2 1 209.293 1.080 20 0 BDADMP Cc1nc2c(o1)CC[N@@H+](CCCC[NH3+])C2 ZINC001237187145 979837112 /nfs/dbraw/zinc/83/71/12/979837112.db2.gz DKOPHMVXJSQZHD-UHFFFAOYSA-N 2 1 209.293 1.080 20 0 BDADMP CCC[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)OC ZINC001184066058 979930526 /nfs/dbraw/zinc/93/05/26/979930526.db2.gz KOJHDTFSLNOKFP-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205546012 980945691 /nfs/dbraw/zinc/94/56/91/980945691.db2.gz OQIWTUNJQJHERJ-STQMWFEESA-N 2 1 242.338 1.832 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001205804283 982563929 /nfs/dbraw/zinc/56/39/29/982563929.db2.gz MLZBHJANFDWGIA-STQMWFEESA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N(CC2(C)CC[NH2+]CC2)C1 ZINC001205804283 982563942 /nfs/dbraw/zinc/56/39/42/982563942.db2.gz MLZBHJANFDWGIA-STQMWFEESA-N 2 1 239.407 1.435 20 0 BDADMP C[N@@H+](CCN1CC[NH+](C)CC1)CCC(C)(C)C ZINC001202096172 983558258 /nfs/dbraw/zinc/55/82/58/983558258.db2.gz IATIFKNDSGSXAA-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001575934066 984137927 /nfs/dbraw/zinc/13/79/27/984137927.db2.gz MKWBNEPPHJGWNH-ZYHUDNBSSA-N 2 1 212.337 1.143 20 0 BDADMP CCOCC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172416989 974687444 /nfs/dbraw/zinc/68/74/44/974687444.db2.gz PWOIAANSGRBXCB-WDEREUQCSA-N 2 1 202.342 1.328 20 0 BDADMP CC[C@@H](CC(C)C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172395810 974751906 /nfs/dbraw/zinc/75/19/06/974751906.db2.gz QAZKUDXDSMRUBU-NEPJUHHUSA-N 2 1 239.363 1.742 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172452550 974815668 /nfs/dbraw/zinc/81/56/68/974815668.db2.gz ALPPTQMCRANNRR-MCIONIFRSA-N 2 1 240.391 1.683 20 0 BDADMP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172452550 974815670 /nfs/dbraw/zinc/81/56/70/974815670.db2.gz ALPPTQMCRANNRR-MCIONIFRSA-N 2 1 240.391 1.683 20 0 BDADMP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172452550 974815677 /nfs/dbraw/zinc/81/56/77/974815677.db2.gz ALPPTQMCRANNRR-MCIONIFRSA-N 2 1 240.391 1.683 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553609 972744945 /nfs/dbraw/zinc/74/49/45/972744945.db2.gz BNEOQQJGGNXRRC-HBNTYKKESA-N 2 1 248.317 1.470 20 0 BDADMP CC(=O)OCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256567610 970862359 /nfs/dbraw/zinc/86/23/59/970862359.db2.gz XBMFMQRQZLXFLA-UHFFFAOYSA-N 2 1 242.363 1.402 20 0 BDADMP CC(C)(C)[NH+]1CCC([NH2+]C(C)(C)C(N)=O)CC1 ZINC001256562332 970863480 /nfs/dbraw/zinc/86/34/80/970863480.db2.gz RKTOHOZOAALARM-UHFFFAOYSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)(C)[NH+]1CCC([NH2+]C2CC(=O)C2)CC1 ZINC001256562177 970864034 /nfs/dbraw/zinc/86/40/34/970864034.db2.gz ZEWZQWIIHMCCKE-UHFFFAOYSA-N 2 1 224.348 1.570 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000234837667 973774522 /nfs/dbraw/zinc/77/45/22/973774522.db2.gz QWEVFCQQAKOYHE-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+]C1CN([C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256898600 971016065 /nfs/dbraw/zinc/01/60/65/971016065.db2.gz NNRTXQLRKAAVKH-ZDUSSCGKSA-N 2 1 223.364 1.036 20 0 BDADMP CC1([NH3+])CN([C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256907860 971023281 /nfs/dbraw/zinc/02/32/81/971023281.db2.gz GMOUGKKIWQUBQM-ZDUSSCGKSA-N 2 1 237.391 1.426 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001257214724 971126423 /nfs/dbraw/zinc/12/64/23/971126423.db2.gz KHODSCUKEAMHIU-BETUJISGSA-N 2 1 238.375 1.437 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001257214724 971126434 /nfs/dbraw/zinc/12/64/34/971126434.db2.gz KHODSCUKEAMHIU-BETUJISGSA-N 2 1 238.375 1.437 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001257214310 971128231 /nfs/dbraw/zinc/12/82/31/971128231.db2.gz AYDJIVFSQOEKRN-TXEJJXNPSA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001257214310 971128241 /nfs/dbraw/zinc/12/82/41/971128241.db2.gz AYDJIVFSQOEKRN-TXEJJXNPSA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC001257214343 971129903 /nfs/dbraw/zinc/12/99/03/971129903.db2.gz BRYZUXBJYIHLOH-OCCSQVGLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)[C@H]2CCCOC2)CC1 ZINC001257223466 971132617 /nfs/dbraw/zinc/13/26/17/971132617.db2.gz QPRVILUUGWWEGM-AWEZNQCLSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)[C@H]2CCCOC2)CC1 ZINC001257223466 971132626 /nfs/dbraw/zinc/13/26/26/971132626.db2.gz QPRVILUUGWWEGM-AWEZNQCLSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001257315218 971211832 /nfs/dbraw/zinc/21/18/32/971211832.db2.gz WKLKFJUWOFVFIA-NSHDSACASA-N 2 1 202.342 1.079 20 0 BDADMP Cc1ccoc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405251540 971218423 /nfs/dbraw/zinc/21/84/23/971218423.db2.gz DCYOTSIXDALZQU-VXGBXAGGSA-N 2 1 220.316 1.948 20 0 BDADMP Cc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000405253906 971223264 /nfs/dbraw/zinc/22/32/64/971223264.db2.gz LFKABFIJVCEGAC-STQMWFEESA-N 2 1 231.343 1.750 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405424662 971253459 /nfs/dbraw/zinc/25/34/59/971253459.db2.gz QOIUYZLAFRGPRN-NEPJUHHUSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1C ZINC000405552760 971272079 /nfs/dbraw/zinc/27/20/79/971272079.db2.gz SYGCVHCOZINJBO-SCVCMEIPSA-N 2 1 212.337 1.094 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)C1 ZINC000405694486 971293983 /nfs/dbraw/zinc/29/39/83/971293983.db2.gz XPCINSWCSVVHGF-UMSGYPCISA-N 2 1 226.364 1.341 20 0 BDADMP CCCC[C@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001257416759 971313286 /nfs/dbraw/zinc/31/32/86/971313286.db2.gz QCTISXYTHIHNEA-ZDUSSCGKSA-N 2 1 230.396 1.859 20 0 BDADMP CC(C)Cc1nnc([C@H]([NH3+])CCC[NH3+])o1 ZINC001217695380 971329686 /nfs/dbraw/zinc/32/96/86/971329686.db2.gz IWUVXLGRDGJYOG-MRVPVSSYSA-N 2 1 212.297 1.007 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CCC[N@@H+](C)C1 ZINC001224929185 974075887 /nfs/dbraw/zinc/07/58/87/974075887.db2.gz ZWCFRLZMNQUXPG-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CCCc1nnc([C@H]([NH3+])CC2CC[NH2+]CC2)o1 ZINC001217725524 971368866 /nfs/dbraw/zinc/36/88/66/971368866.db2.gz RRZQECXQIFFILL-SNVBAGLBSA-N 2 1 238.335 1.412 20 0 BDADMP CCCc1nnc([C@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001217733609 971372275 /nfs/dbraw/zinc/37/22/75/971372275.db2.gz RWAOHTODPYQZLU-SNVBAGLBSA-N 2 1 224.308 1.022 20 0 BDADMP CC1(CO[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC001217780792 971400102 /nfs/dbraw/zinc/40/01/02/971400102.db2.gz GMFWXMNQTFUYPC-SNVBAGLBSA-N 2 1 248.317 1.390 20 0 BDADMP [NH3+]Cc1ccccc1CO[C@@H]1C[NH2+]CC1(F)F ZINC001217844336 971441865 /nfs/dbraw/zinc/44/18/65/971441865.db2.gz LARDVJCBOCBHAA-LLVKDONJSA-N 2 1 242.269 1.269 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCCSC1 ZINC001257667690 971468786 /nfs/dbraw/zinc/46/87/86/971468786.db2.gz HZUJXVPHIMRXIC-JTQLQIEISA-N 2 1 225.361 1.843 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCSC3)C2)C1 ZINC001257681010 971486453 /nfs/dbraw/zinc/48/64/53/971486453.db2.gz MZGXSWZKNZZMMA-STQMWFEESA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCSC3)C2)C1 ZINC001257681010 971486458 /nfs/dbraw/zinc/48/64/58/971486458.db2.gz MZGXSWZKNZZMMA-STQMWFEESA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCSC3)C2)C1 ZINC001257681010 971486465 /nfs/dbraw/zinc/48/64/65/971486465.db2.gz MZGXSWZKNZZMMA-STQMWFEESA-N 2 1 240.416 1.910 20 0 BDADMP COC(=O)C1CCC([N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001257854666 971506330 /nfs/dbraw/zinc/50/63/30/971506330.db2.gz GPOQIXALODRGDR-CXQJBGSLSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)C1CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001257854666 971506335 /nfs/dbraw/zinc/50/63/35/971506335.db2.gz GPOQIXALODRGDR-CXQJBGSLSA-N 2 1 240.347 1.141 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2CCC3(COC3)CC2)C1 ZINC001257897519 971529956 /nfs/dbraw/zinc/52/99/56/971529956.db2.gz CABBIHRGYXSJKH-LLVKDONJSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc(C(=O)C[NH3+])cc1 ZINC001218046077 971587038 /nfs/dbraw/zinc/58/70/38/971587038.db2.gz RBXVMZPYCNSSSD-QMTHXVAHSA-N 2 1 248.326 1.205 20 0 BDADMP CCOC(=[NH2+])c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001218182090 971617014 /nfs/dbraw/zinc/61/70/14/971617014.db2.gz UHHGOBJANQQAIG-LBPRGKRZSA-N 2 1 234.299 1.789 20 0 BDADMP CCn1ccnc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222531620 972536525 /nfs/dbraw/zinc/53/65/25/972536525.db2.gz FJABUBCQUSDCFU-UHFFFAOYSA-N 2 1 240.326 1.166 20 0 BDADMP CC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154170 974318254 /nfs/dbraw/zinc/31/82/54/974318254.db2.gz HFAVTPWXGIDZIS-NXEZZACHSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154170 974318264 /nfs/dbraw/zinc/31/82/64/974318264.db2.gz HFAVTPWXGIDZIS-NXEZZACHSA-N 2 1 202.317 1.794 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)CC[C@@H]1F ZINC001206154177 974318329 /nfs/dbraw/zinc/31/83/29/974318329.db2.gz HFWPBEUANYMFMO-STQMWFEESA-N 2 1 222.307 1.948 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)CC[C@@H]1F ZINC001206154177 974318338 /nfs/dbraw/zinc/31/83/38/974318338.db2.gz HFWPBEUANYMFMO-STQMWFEESA-N 2 1 222.307 1.948 20 0 BDADMP FC1(F)C[NH2+]C[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218233968 971642715 /nfs/dbraw/zinc/64/27/15/971642715.db2.gz BJXOIWOWDLAZKN-NSHDSACASA-N 2 1 240.253 1.276 20 0 BDADMP CCc1cc(N2CCC3(C[NH2+]C3)CC2)nc(C)[nH+]1 ZINC001159042725 971638535 /nfs/dbraw/zinc/63/85/35/971638535.db2.gz KMSGAEDNTLNEEN-UHFFFAOYSA-N 2 1 246.358 1.537 20 0 BDADMP CC(C)CC[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206154259 974322336 /nfs/dbraw/zinc/32/23/36/974322336.db2.gz ICLYVAGYKXUPDA-QWRGUYRKSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154259 974322351 /nfs/dbraw/zinc/32/23/51/974322351.db2.gz ICLYVAGYKXUPDA-QWRGUYRKSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154259 974322362 /nfs/dbraw/zinc/32/23/62/974322362.db2.gz ICLYVAGYKXUPDA-QWRGUYRKSA-N 2 1 202.317 1.794 20 0 BDADMP CCC1(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)COC1 ZINC001206154563 974331809 /nfs/dbraw/zinc/33/18/09/974331809.db2.gz KBCHJYYLFCSKTC-GHMZBOCLSA-N 2 1 230.327 1.174 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)COC1 ZINC001206154563 974331821 /nfs/dbraw/zinc/33/18/21/974331821.db2.gz KBCHJYYLFCSKTC-GHMZBOCLSA-N 2 1 230.327 1.174 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)COC1 ZINC001206154564 974332225 /nfs/dbraw/zinc/33/22/25/974332225.db2.gz KBCHJYYLFCSKTC-MNOVXSKESA-N 2 1 230.327 1.174 20 0 BDADMP CCC1(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)COC1 ZINC001206154564 974332235 /nfs/dbraw/zinc/33/22/35/974332235.db2.gz KBCHJYYLFCSKTC-MNOVXSKESA-N 2 1 230.327 1.174 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729757 971670110 /nfs/dbraw/zinc/67/01/10/971670110.db2.gz GJDWLBIQLYBQJX-YFKTTZPYSA-N 2 1 210.365 1.948 20 0 BDADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@H](N)C1 ZINC001172323816 974533470 /nfs/dbraw/zinc/53/34/70/974533470.db2.gz DUQPYLNNCMNPOA-TUAOUCFPSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@H](N)C1 ZINC001172323816 974533474 /nfs/dbraw/zinc/53/34/74/974533474.db2.gz DUQPYLNNCMNPOA-TUAOUCFPSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172323816 974533478 /nfs/dbraw/zinc/53/34/78/974533478.db2.gz DUQPYLNNCMNPOA-TUAOUCFPSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172323816 974533480 /nfs/dbraw/zinc/53/34/80/974533480.db2.gz DUQPYLNNCMNPOA-TUAOUCFPSA-N 2 1 214.353 1.613 20 0 BDADMP C[NH+](C)C1(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC001219347597 972006844 /nfs/dbraw/zinc/00/68/44/972006844.db2.gz QJYFTLGBHHROTR-UHFFFAOYSA-N 2 1 233.315 1.178 20 0 BDADMP Cc1c[nH]c2nc(NCC[C@@H](C)[NH3+])[nH+]cc12 ZINC001170889110 972035207 /nfs/dbraw/zinc/03/52/07/972035207.db2.gz JUVVDYCPFTWOIM-MRVPVSSYSA-N 2 1 219.292 1.367 20 0 BDADMP COC(=[NH2+])c1cccc(NCC[C@@H](C)[NH3+])c1 ZINC001170890338 972041734 /nfs/dbraw/zinc/04/17/34/972041734.db2.gz GVZUFZXEYBBVJA-SECBINFHSA-N 2 1 221.304 1.808 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246074717 972129638 /nfs/dbraw/zinc/12/96/38/972129638.db2.gz BTFZBRMCZUDODH-SCRDCRAPSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[NH2+]1 ZINC001246091047 972146237 /nfs/dbraw/zinc/14/62/37/972146237.db2.gz BAKGZVABTHMDRK-NNYUYHANSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+][C@H]1CCCCNC1 ZINC001246095445 972149550 /nfs/dbraw/zinc/14/95/50/972149550.db2.gz IQDCYFTTZIHGPY-RDBSUJKOSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246102808 972160604 /nfs/dbraw/zinc/16/06/04/972160604.db2.gz SPXASISNCLYXKH-LOWDOPEQSA-N 3 1 239.407 1.351 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246102871 972160938 /nfs/dbraw/zinc/16/09/38/972160938.db2.gz SPXASISNCLYXKH-UMSGYPCISA-N 3 1 239.407 1.351 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246108917 972172283 /nfs/dbraw/zinc/17/22/83/972172283.db2.gz IWWDLYCBEYDVQU-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOC2)[NH2+]C1 ZINC001246106556 972170688 /nfs/dbraw/zinc/17/06/88/972170688.db2.gz DKSNAJXWGQZOTN-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246108920 972172875 /nfs/dbraw/zinc/17/28/75/972172875.db2.gz IWWDLYCBEYDVQU-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130852 972189184 /nfs/dbraw/zinc/18/91/84/972189184.db2.gz WQHNDBWZYRFFFG-XQQFMLRXSA-N 2 1 228.380 1.922 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127255 972189523 /nfs/dbraw/zinc/18/95/23/972189523.db2.gz AXWUHUHLMZNZGJ-WDEREUQCSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2cccc(O)c2)C[NH2+]1 ZINC001246157349 972198244 /nfs/dbraw/zinc/19/82/44/972198244.db2.gz GNFQCHSSGKJJDP-YPMHNXCESA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246219527 972221216 /nfs/dbraw/zinc/22/12/16/972221216.db2.gz AUQULKPLONGMHB-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC23CC3)C1 ZINC001208603395 957091914 /nfs/dbraw/zinc/09/19/14/957091914.db2.gz CPGCGWHALDQIIH-GFCCVEGCSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC23CC3)C1 ZINC001208603395 957091927 /nfs/dbraw/zinc/09/19/27/957091927.db2.gz CPGCGWHALDQIIH-GFCCVEGCSA-N 2 1 208.349 1.957 20 0 BDADMP CN1CCC[C@@H](C[N@H+]2CCCC23CC3)C1 ZINC001208603395 957091880 /nfs/dbraw/zinc/09/18/80/957091880.db2.gz CPGCGWHALDQIIH-GFCCVEGCSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC23CC3)C1 ZINC001208603395 957091890 /nfs/dbraw/zinc/09/18/90/957091890.db2.gz CPGCGWHALDQIIH-GFCCVEGCSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC23CC3)C1 ZINC001208603395 957091903 /nfs/dbraw/zinc/09/19/03/957091903.db2.gz CPGCGWHALDQIIH-GFCCVEGCSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+](C)[C@H]1CCCN(C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208610182 957093763 /nfs/dbraw/zinc/09/37/63/957093763.db2.gz ZNSIPDBZRLWVFJ-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP C[N@H+]1CC=C(Nc2c[nH+]c3ccccn23)CC1 ZINC001208741006 957158806 /nfs/dbraw/zinc/15/88/06/957158806.db2.gz AHKNDTWCDXBJOL-UHFFFAOYSA-N 2 1 228.299 1.966 20 0 BDADMP C[N@@H+]1CC=C(Nc2c[nH+]c3ccccn23)CC1 ZINC001208741006 957158819 /nfs/dbraw/zinc/15/88/19/957158819.db2.gz AHKNDTWCDXBJOL-UHFFFAOYSA-N 2 1 228.299 1.966 20 0 BDADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209410732 957418851 /nfs/dbraw/zinc/41/88/51/957418851.db2.gz ADYLKDWPPRQPES-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209410732 957418856 /nfs/dbraw/zinc/41/88/56/957418856.db2.gz ADYLKDWPPRQPES-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209410732 957418860 /nfs/dbraw/zinc/41/88/60/957418860.db2.gz ADYLKDWPPRQPES-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209410732 957418862 /nfs/dbraw/zinc/41/88/62/957418862.db2.gz ADYLKDWPPRQPES-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]([NH3+])CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246306958 972266836 /nfs/dbraw/zinc/26/68/36/972266836.db2.gz UKJAVVFFRGUHFN-RVMXOQNASA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246306958 972266848 /nfs/dbraw/zinc/26/68/48/972266848.db2.gz UKJAVVFFRGUHFN-RVMXOQNASA-N 3 1 225.380 1.329 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246306958 972266855 /nfs/dbraw/zinc/26/68/55/972266855.db2.gz UKJAVVFFRGUHFN-RVMXOQNASA-N 3 1 225.380 1.329 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC000086818839 957697068 /nfs/dbraw/zinc/69/70/68/957697068.db2.gz GHTMNBFHXWJNLD-CYBMUJFWSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000397781565 957815165 /nfs/dbraw/zinc/81/51/65/957815165.db2.gz OWCQOYJTMLRDRF-RNJOBUHISA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246332158 972295831 /nfs/dbraw/zinc/29/58/31/972295831.db2.gz DZRVUPKGFJMNHB-BLYZHGLHSA-N 3 1 239.407 1.624 20 0 BDADMP C1[C@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C12C[NH2+]C2 ZINC001246444287 972314853 /nfs/dbraw/zinc/31/48/53/972314853.db2.gz JXSWEGICYUFQMW-JSGCOSHPSA-N 2 1 249.402 1.345 20 0 BDADMP COc1c[nH+]ccc1Nc1ccc2[nH+]ccn2c1 ZINC001211257502 958119881 /nfs/dbraw/zinc/11/98/81/958119881.db2.gz NSIOHIJQKGYIOJ-UHFFFAOYSA-N 2 1 240.266 1.903 20 0 BDADMP CCCOCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399034254 958489646 /nfs/dbraw/zinc/48/96/46/958489646.db2.gz NPQNGWZEMJWHKS-NEPJUHHUSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C[NH2+]1 ZINC000399251468 958581552 /nfs/dbraw/zinc/58/15/52/958581552.db2.gz LRHNKLCCGZICPR-YPMHNXCESA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(COC3)CC2)C[NH2+]1 ZINC001246521575 972370828 /nfs/dbraw/zinc/37/08/28/972370828.db2.gz CNHFCKKCGQSZFZ-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@H+](CC(=O)OC(C)(C)C)CC1CC[NH2+]CC1 ZINC000094024307 958689939 /nfs/dbraw/zinc/68/99/39/958689939.db2.gz BZBIBGLEPIYOLF-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@H]1CC[C@@H]([NH+]2CCC3(COC3)CC2)C[NH2+]1 ZINC001246521084 972372724 /nfs/dbraw/zinc/37/27/24/972372724.db2.gz CNHFCKKCGQSZFZ-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000724153700 958741151 /nfs/dbraw/zinc/74/11/51/958741151.db2.gz SPPVRXJKCHZJSL-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693564144 958814618 /nfs/dbraw/zinc/81/46/18/958814618.db2.gz ZWTIADGHICEGOR-AXFHLTTASA-N 2 1 214.378 1.551 20 0 BDADMP CC[C@H]1CO[C@@H](C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693581595 958870420 /nfs/dbraw/zinc/87/04/20/958870420.db2.gz XWLHVZNHNXEUIX-YFKTTZPYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237450 972415607 /nfs/dbraw/zinc/41/56/07/972415607.db2.gz KGUGHEALFLOMLP-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000693778333 959279952 /nfs/dbraw/zinc/27/99/52/959279952.db2.gz WUHBVMPINVXQLU-SECBINFHSA-N 2 1 232.418 1.463 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237453 972416765 /nfs/dbraw/zinc/41/67/65/972416765.db2.gz KGUGHEALFLOMLP-UPJWGTAASA-N 2 1 208.349 1.860 20 0 BDADMP CCOCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172409867 974670205 /nfs/dbraw/zinc/67/02/05/974670205.db2.gz ALKCRLYXKFYOHK-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CCCCC2)C12CCC2 ZINC000405218057 959417496 /nfs/dbraw/zinc/41/74/96/959417496.db2.gz LFDMRAOXUGKMNK-QWHCGFSZSA-N 2 1 237.391 1.332 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000053031254 959571148 /nfs/dbraw/zinc/57/11/48/959571148.db2.gz YYHYZGWPCDUQJT-ZDUSSCGKSA-N 2 1 236.334 1.910 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246531420 972440336 /nfs/dbraw/zinc/44/03/36/972440336.db2.gz QTXKAOSPFHXHBY-UONOGXRCSA-N 3 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@@](C)([NH3+])C1 ZINC001246531420 972440339 /nfs/dbraw/zinc/44/03/39/972440339.db2.gz QTXKAOSPFHXHBY-UONOGXRCSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246531420 972440341 /nfs/dbraw/zinc/44/03/41/972440341.db2.gz QTXKAOSPFHXHBY-UONOGXRCSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246531420 972440344 /nfs/dbraw/zinc/44/03/44/972440344.db2.gz QTXKAOSPFHXHBY-UONOGXRCSA-N 2 1 241.423 1.920 20 0 BDADMP CCOCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172409621 974671228 /nfs/dbraw/zinc/67/12/28/974671228.db2.gz XWMGVRGVPDSLDH-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP [NH3+]CCCCCCO[C@@H]1C[NH2+]CC1(F)F ZINC001217844722 959649490 /nfs/dbraw/zinc/64/94/90/959649490.db2.gz OZAHOOZJTNSXKG-SECBINFHSA-N 2 1 222.279 1.129 20 0 BDADMP C[N@H+](C[C@@H](O)CC1CCCC1)[C@H](C[NH3+])C1CC1 ZINC000300025443 959780158 /nfs/dbraw/zinc/78/01/58/959780158.db2.gz BSXSLTUYOSJKAO-UONOGXRCSA-N 2 1 240.391 1.597 20 0 BDADMP C[N@@H+](C[C@@H](O)CC1CCCC1)[C@H](C[NH3+])C1CC1 ZINC000300025443 959780170 /nfs/dbraw/zinc/78/01/70/959780170.db2.gz BSXSLTUYOSJKAO-UONOGXRCSA-N 2 1 240.391 1.597 20 0 BDADMP N=c1cc(C[NH3+])ccn1-c1cc[nH+]c(C2CC2)c1 ZINC001167692925 959844406 /nfs/dbraw/zinc/84/44/06/959844406.db2.gz XYCHNXLUVAHZNS-UHFFFAOYSA-N 2 1 240.310 1.688 20 0 BDADMP O=C1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC001207442896 960131539 /nfs/dbraw/zinc/13/15/39/960131539.db2.gz IIOZDHYAHTZYJL-CHWSQXEVSA-N 2 1 236.359 1.287 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000709028637 960218809 /nfs/dbraw/zinc/21/88/09/960218809.db2.gz BRLKLPGFIVWLOL-GFCCVEGCSA-N 2 1 236.363 1.587 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2CO)CC1 ZINC001207479935 960357590 /nfs/dbraw/zinc/35/75/90/960357590.db2.gz PYBZHAVQDDLNRV-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140706062 960509169 /nfs/dbraw/zinc/50/91/69/960509169.db2.gz BIVYTSNVGIXZBI-OLZOCXBDSA-N 2 1 219.332 1.398 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140706062 960509178 /nfs/dbraw/zinc/50/91/78/960509178.db2.gz BIVYTSNVGIXZBI-OLZOCXBDSA-N 2 1 219.332 1.398 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccn1 ZINC000692743426 960557733 /nfs/dbraw/zinc/55/77/33/960557733.db2.gz BDGDSKAIYCQTMX-MBNYWOFBSA-N 2 1 233.359 1.915 20 0 BDADMP CO[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801203 960589489 /nfs/dbraw/zinc/58/94/89/960589489.db2.gz FJKVFODBGSAMLG-LLVKDONJSA-N 2 1 231.299 1.784 20 0 BDADMP CO[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801203 960589500 /nfs/dbraw/zinc/58/95/00/960589500.db2.gz FJKVFODBGSAMLG-LLVKDONJSA-N 2 1 231.299 1.784 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709465960 960612831 /nfs/dbraw/zinc/61/28/31/960612831.db2.gz XLZMIODBVQHNOD-FUNVUKJBSA-N 3 1 234.347 1.064 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709466108 960614408 /nfs/dbraw/zinc/61/44/08/960614408.db2.gz XTFIMOMNUIUWLR-QNMSZWNNSA-N 2 1 237.391 1.343 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709466108 960614420 /nfs/dbraw/zinc/61/44/20/960614420.db2.gz XTFIMOMNUIUWLR-QNMSZWNNSA-N 3 1 237.391 1.343 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709466108 960614442 /nfs/dbraw/zinc/61/44/42/960614442.db2.gz XTFIMOMNUIUWLR-QNMSZWNNSA-N 3 1 237.391 1.343 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488506 960620636 /nfs/dbraw/zinc/62/06/36/960620636.db2.gz BHCTVOQGKBFTNM-GVWAJWJKSA-N 2 1 224.348 1.115 20 0 BDADMP C[C@@]1(O)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709480467 960620878 /nfs/dbraw/zinc/62/08/78/960620878.db2.gz SMWBDHZMTQHLPH-ZGVCCVRISA-N 2 1 224.348 1.116 20 0 BDADMP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)n[nH]1 ZINC001203082134 960773488 /nfs/dbraw/zinc/77/34/88/960773488.db2.gz LVAPDSAWXGQKTQ-UHFFFAOYSA-N 2 1 234.347 1.246 20 0 BDADMP Cc1ncoc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001141052375 960844246 /nfs/dbraw/zinc/84/42/46/960844246.db2.gz QYCBAUSOHGTKLI-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1ncc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cn1 ZINC001203116927 961234663 /nfs/dbraw/zinc/23/46/63/961234663.db2.gz TXJWFHNGSFONRT-UHFFFAOYSA-N 2 1 246.358 1.313 20 0 BDADMP CCC[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001268240432 961473665 /nfs/dbraw/zinc/47/36/65/961473665.db2.gz KROLMQMJQXIYOE-GFCCVEGCSA-N 2 1 243.395 1.127 20 0 BDADMP [NH2+]=C(Nc1cccc(O)c1)SCC[NH3+] ZINC001167916865 961871016 /nfs/dbraw/zinc/87/10/16/961871016.db2.gz YWICLCUZFWVWST-UHFFFAOYSA-N 2 1 211.290 1.431 20 0 BDADMP [NH3+]CCCC[NH+]1CCN([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923229 961978897 /nfs/dbraw/zinc/97/88/97/961978897.db2.gz BBMUECGNPOEFTA-BTTYYORXSA-N 2 1 237.391 1.141 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CCOCC3)CC[NH2+]1 ZINC000383104878 962208269 /nfs/dbraw/zinc/20/82/69/962208269.db2.gz CVNLSBBFGXEMPL-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C[N@H+]2CCC(F)(F)[C@H](N)C2)CC[NH2+]CC1 ZINC001206649127 962619719 /nfs/dbraw/zinc/61/97/19/962619719.db2.gz QTOUANJWTCVXTN-SNVBAGLBSA-N 2 1 247.333 1.044 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CF)C2)CC[NH2+]1 ZINC000711468337 962717690 /nfs/dbraw/zinc/71/76/90/962717690.db2.gz WQPWNOWGMPMLDQ-WOPDTQHZSA-N 2 1 214.328 1.808 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958063 962823604 /nfs/dbraw/zinc/82/36/04/962823604.db2.gz YBGMZLTWVMRVRJ-DGAVXFQQSA-N 2 1 220.360 1.813 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958063 962823608 /nfs/dbraw/zinc/82/36/08/962823608.db2.gz YBGMZLTWVMRVRJ-DGAVXFQQSA-N 2 1 220.360 1.813 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958063 962823601 /nfs/dbraw/zinc/82/36/01/962823601.db2.gz YBGMZLTWVMRVRJ-DGAVXFQQSA-N 2 1 220.360 1.813 20 0 BDADMP Cn1ccc2c1nc[nH+]c2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154974213 962924797 /nfs/dbraw/zinc/92/47/97/962924797.db2.gz BWRCFXGCNLZETJ-NXEZZACHSA-N 2 1 245.330 1.650 20 0 BDADMP C[C@@H]1C[C@@H](CNc2ccc(N)c[nH+]2)C[NH2+]1 ZINC001155095026 962976231 /nfs/dbraw/zinc/97/62/31/962976231.db2.gz ICUVQBONHNEQAM-RKDXNWHRSA-N 2 1 206.293 1.074 20 0 BDADMP [NH3+]CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167981803 963063586 /nfs/dbraw/zinc/06/35/86/963063586.db2.gz KUMTWOOKBHKTRH-AGUYFDCRSA-N 2 1 249.402 1.473 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000696498785 963153111 /nfs/dbraw/zinc/15/31/11/963153111.db2.gz WXCLNTUGKPMYHD-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP CC(C)(C)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000713252840 963161122 /nfs/dbraw/zinc/16/11/22/963161122.db2.gz WSQYLUIYRRCZRP-VIFPVBQESA-N 2 1 220.307 1.948 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N(CCC[NH3+])C(C)C)c12 ZINC001156118680 963264496 /nfs/dbraw/zinc/26/44/96/963264496.db2.gz RUYMSFXKFYUFSX-UHFFFAOYSA-N 2 1 247.346 1.830 20 0 BDADMP C[N@@H+]1CCC[C@@H](CCNc2ccc(N)c[nH+]2)C1 ZINC001156377731 963324819 /nfs/dbraw/zinc/32/48/19/963324819.db2.gz CHRHLVVHWUICKU-NSHDSACASA-N 2 1 234.347 1.808 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2ccc(N)c[nH+]2)C1 ZINC001156377731 963324834 /nfs/dbraw/zinc/32/48/34/963324834.db2.gz CHRHLVVHWUICKU-NSHDSACASA-N 2 1 234.347 1.808 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2cccc(N)[nH+]2)C1 ZINC001156378499 963326052 /nfs/dbraw/zinc/32/60/52/963326052.db2.gz MMXAZTNASWQFHY-NSHDSACASA-N 2 1 234.347 1.808 20 0 BDADMP [NH2+]=C(NCCCC[NH3+])Nc1cc2nccc-2c[nH]1 ZINC001157094475 963532651 /nfs/dbraw/zinc/53/26/51/963532651.db2.gz QSTVHFMMQSKFSY-UHFFFAOYSA-N 2 1 246.318 1.238 20 0 BDADMP C[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001168107537 963739728 /nfs/dbraw/zinc/73/97/28/963739728.db2.gz WHPAFTKKTFRDOY-MNOVXSKESA-N 2 1 223.320 1.514 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001168111318 963750440 /nfs/dbraw/zinc/75/04/40/963750440.db2.gz APHGLGONNHDNIP-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCO1 ZINC001168111318 963750447 /nfs/dbraw/zinc/75/04/47/963750447.db2.gz APHGLGONNHDNIP-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCO1 ZINC001168111318 963750453 /nfs/dbraw/zinc/75/04/53/963750453.db2.gz APHGLGONNHDNIP-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@H+]1CCN(c2cc(N)cc[nH+]2)C2(CCCC2)C1 ZINC001158403757 963859689 /nfs/dbraw/zinc/85/96/89/963859689.db2.gz BUJIYGWXZHOWKI-UHFFFAOYSA-N 2 1 246.358 1.728 20 0 BDADMP CC1(Nc2c[nH+]c3c(c2)CCCN3)CC[NH2+]CC1 ZINC001168188840 963948849 /nfs/dbraw/zinc/94/88/49/963948849.db2.gz DIHRPIZUUZDAKK-UHFFFAOYSA-N 2 1 246.358 1.281 20 0 BDADMP Cc1c[nH+]c(N2CCC3(C[NH2+]C3)CC2)c(C)c1 ZINC001159041747 963979995 /nfs/dbraw/zinc/97/99/95/963979995.db2.gz ASXOBDRVAZDDJQ-UHFFFAOYSA-N 2 1 231.343 1.888 20 0 BDADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)CCC ZINC001272158140 964291015 /nfs/dbraw/zinc/29/10/15/964291015.db2.gz CBKSBYJVAMNMEO-UHFFFAOYSA-N 2 1 243.395 1.128 20 0 BDADMP CCC[NH+](C)CCN(C)C(=O)C[N@H+](C)CCC ZINC001272158140 964291027 /nfs/dbraw/zinc/29/10/27/964291027.db2.gz CBKSBYJVAMNMEO-UHFFFAOYSA-N 2 1 243.395 1.128 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001168313706 964417255 /nfs/dbraw/zinc/41/72/55/964417255.db2.gz GDZQVFVVIWFWST-NWINJMCUSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001168313367 964419710 /nfs/dbraw/zinc/41/97/10/964419710.db2.gz AMSJTKKOYTXNHR-IFWUJCSASA-N 2 1 244.354 1.264 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001168313982 964421266 /nfs/dbraw/zinc/42/12/66/964421266.db2.gz HPVDMNSXLOXKLV-XVSSEFHLSA-N 2 1 244.354 1.264 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001168315568 964426089 /nfs/dbraw/zinc/42/60/89/964426089.db2.gz ZHMXPPGGQOVSAU-BPCQOVAHSA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2Cc3cncnc3C2)CC1 ZINC001168315510 964426930 /nfs/dbraw/zinc/42/69/30/964426930.db2.gz XGJIEHFPPRWJPJ-UHFFFAOYSA-N 2 1 246.358 1.665 20 0 BDADMP Nc1cc(NCc2ccccc2C[NH3+])nc[nH+]1 ZINC001160908335 964442552 /nfs/dbraw/zinc/44/25/52/964442552.db2.gz MFSSVUIYNRFYGG-UHFFFAOYSA-N 2 1 229.287 1.130 20 0 BDADMP Nc1cc(NCc2ccccc2C[NH3+])[nH+]cn1 ZINC001160908335 964442566 /nfs/dbraw/zinc/44/25/66/964442566.db2.gz MFSSVUIYNRFYGG-UHFFFAOYSA-N 2 1 229.287 1.130 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327884 964460400 /nfs/dbraw/zinc/46/04/00/964460400.db2.gz RULUJDMJRRJSKO-GFJIZPEISA-N 2 1 240.391 1.704 20 0 BDADMP [NH3+]C/C=C/CNc1cc[nH+]c(N2CCCCC2)n1 ZINC001160983288 964469566 /nfs/dbraw/zinc/46/95/66/964469566.db2.gz XVUKDAHSGQCUKP-NSCUHMNNSA-N 2 1 247.346 1.394 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCCSC1)C[NH+](C)C ZINC000926958910 964524136 /nfs/dbraw/zinc/52/41/36/964524136.db2.gz ILXRDJOAWSZIEY-NWDGAFQWSA-N 2 1 246.420 1.438 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697810166 964534235 /nfs/dbraw/zinc/53/42/35/964534235.db2.gz ORTUCTJZMSSZIR-FVCCEPFGSA-N 2 1 208.349 1.703 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC000697868652 964595718 /nfs/dbraw/zinc/59/57/18/964595718.db2.gz CBMWVXJZADOWTG-NSHDSACASA-N 2 1 207.321 1.511 20 0 BDADMP C[N@@H+]1CCCC[C@H]1CO[C@H]1CCc2[nH+]ccn2C1 ZINC001224707735 964895730 /nfs/dbraw/zinc/89/57/30/964895730.db2.gz SLJFLFWEPNLJJT-STQMWFEESA-N 2 1 249.358 1.699 20 0 BDADMP C[N@H+]1CCCC[C@H]1CO[C@H]1CCc2[nH+]ccn2C1 ZINC001224707735 964895731 /nfs/dbraw/zinc/89/57/31/964895731.db2.gz SLJFLFWEPNLJJT-STQMWFEESA-N 2 1 249.358 1.699 20 0 BDADMP C[N@H+]1CC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224748998 964920891 /nfs/dbraw/zinc/92/08/91/964920891.db2.gz VYQDEXSVDHUWIO-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP Cc1c[nH]c2nc(N[C@H]3CCC[C@H]([NH3+])C3)[nH+]cc12 ZINC001162390677 964948792 /nfs/dbraw/zinc/94/87/92/964948792.db2.gz HQYXQAVEECJWRC-UWVGGRQHSA-N 2 1 245.330 1.900 20 0 BDADMP Cc1cc2c[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)nc2[nH]1 ZINC001162390185 964948997 /nfs/dbraw/zinc/94/89/97/964948997.db2.gz CRKUKGSZXAQGPK-QWRGUYRKSA-N 2 1 245.330 1.900 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]c2ccc3c(=O)[nH]cc-3[nH]2)C1 ZINC001162391465 964952718 /nfs/dbraw/zinc/95/27/18/964952718.db2.gz MQXMXHRPWJGADD-DTWKUNHWSA-N 2 1 246.314 1.007 20 0 BDADMP CNc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC001162396834 964955765 /nfs/dbraw/zinc/95/57/65/964955765.db2.gz OJHCUKYSPZJZQE-NXEZZACHSA-N 2 1 220.320 1.805 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(N)[nH+]c1 ZINC001162458006 964985854 /nfs/dbraw/zinc/98/58/54/964985854.db2.gz SKOCMFPIDJTXLL-MNOVXSKESA-N 2 1 234.347 1.711 20 0 BDADMP Cc1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)[nH+]c1N ZINC001162475624 964991146 /nfs/dbraw/zinc/99/11/46/964991146.db2.gz AYTHBCXAAFSPGD-IUCAKERBSA-N 2 1 224.283 1.084 20 0 BDADMP OC[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168379380 965085992 /nfs/dbraw/zinc/08/59/92/965085992.db2.gz JFAXSWWUVSPXRX-ZDUSSCGKSA-N 2 1 238.375 1.175 20 0 BDADMP C[C@H]1[NH2+]CC[C@H]1Nc1cccn2c[nH+]cc12 ZINC001162676801 965109361 /nfs/dbraw/zinc/10/93/61/965109361.db2.gz WCOXGFMUVZIUAC-NXEZZACHSA-N 2 1 216.288 1.497 20 0 BDADMP CCCC(C[NH3+])(CCC)Nc1cc[nH+]c(N)n1 ZINC001163040591 965237333 /nfs/dbraw/zinc/23/73/33/965237333.db2.gz OLSJSGQBVGWWIF-UHFFFAOYSA-N 2 1 237.351 1.768 20 0 BDADMP c1cc2cc[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2[nH]1 ZINC001163203362 965299799 /nfs/dbraw/zinc/29/97/99/965299799.db2.gz JUXAJBVXRKQECH-ZWNOBZJWSA-N 2 1 244.298 1.106 20 0 BDADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](CC)C1 ZINC000328199403 965383657 /nfs/dbraw/zinc/38/36/57/965383657.db2.gz ROZIQZXCDRHHRA-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)n(C)n1 ZINC000094024603 965388905 /nfs/dbraw/zinc/38/89/05/965388905.db2.gz QYLZNDBSTDTLIF-UHFFFAOYSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1cc(C)[nH+]c(N(C)CC[NH+](C)C)c1 ZINC001163590115 965468093 /nfs/dbraw/zinc/46/80/93/965468093.db2.gz QWCCGIJULTZIJZ-UHFFFAOYSA-N 2 1 207.321 1.696 20 0 BDADMP CC[N@H+]1CCCN(c2cc(N(C)C)cc[nH+]2)CC1 ZINC001163775205 965583941 /nfs/dbraw/zinc/58/39/41/965583941.db2.gz UWKAGSUZSHBRQD-UHFFFAOYSA-N 2 1 248.374 1.680 20 0 BDADMP Cc1[nH+]ccn1CCNc1c[nH+]cn1C ZINC001163920070 965632899 /nfs/dbraw/zinc/63/28/99/965632899.db2.gz QOCNTMDXAVGOFN-UHFFFAOYSA-N 2 1 205.265 1.037 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CCCc2ccncc2)CC1 ZINC001205093681 965718826 /nfs/dbraw/zinc/71/88/26/965718826.db2.gz DTDOAYLBTWDOPI-AWEZNQCLSA-N 2 1 233.359 1.827 20 0 BDADMP COc1cnccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094295 965724621 /nfs/dbraw/zinc/72/46/21/965724621.db2.gz LBSUVMMREGXSBJ-LBPRGKRZSA-N 2 1 235.331 1.403 20 0 BDADMP COc1cnccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094295 965724636 /nfs/dbraw/zinc/72/46/36/965724636.db2.gz LBSUVMMREGXSBJ-LBPRGKRZSA-N 2 1 235.331 1.403 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3cccnc23)CC1 ZINC001205110097 965835230 /nfs/dbraw/zinc/83/52/30/965835230.db2.gz OOUZOJNSQBYQDN-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP Cc1c[nH+]c(N2CCC(F)(F)[C@@H]([NH3+])C2)cc1N ZINC001164322981 965846221 /nfs/dbraw/zinc/84/62/21/965846221.db2.gz IHWONMRYMISYSA-VIFPVBQESA-N 2 1 242.273 1.145 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000699555699 965973390 /nfs/dbraw/zinc/97/33/90/965973390.db2.gz CRMJUSWVZDMYTN-WYTNZGFTSA-N 2 1 238.375 1.626 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1C ZINC001165149279 965974953 /nfs/dbraw/zinc/97/49/53/965974953.db2.gz MIMXGWLFJWKAAO-BETUJISGSA-N 2 1 231.343 1.696 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1C ZINC001165149279 965974966 /nfs/dbraw/zinc/97/49/66/965974966.db2.gz MIMXGWLFJWKAAO-BETUJISGSA-N 2 1 231.343 1.696 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC000699568111 965996624 /nfs/dbraw/zinc/99/66/24/965996624.db2.gz GVFRAKDBVJCVSD-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP Nc1ccc[nH+]c1N1CCC2(CC([NH3+])C2)CC1 ZINC001165243422 966006142 /nfs/dbraw/zinc/00/61/42/966006142.db2.gz KZWSZKSVHZGBHS-UHFFFAOYSA-N 2 1 232.331 1.372 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000691347997 966101335 /nfs/dbraw/zinc/10/13/35/966101335.db2.gz AUEFDRWYTRRESQ-CYBMUJFWSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc(N)c2)C1 ZINC001236045854 966252922 /nfs/dbraw/zinc/25/29/22/966252922.db2.gz DISNOOLBBSPUEL-ZWNOBZJWSA-N 2 1 219.332 1.438 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc(N)c2)C1 ZINC001236045854 966252936 /nfs/dbraw/zinc/25/29/36/966252936.db2.gz DISNOOLBBSPUEL-ZWNOBZJWSA-N 2 1 219.332 1.438 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC001236288821 966342324 /nfs/dbraw/zinc/34/23/24/966342324.db2.gz HDAGARDPSDACHU-AAEUAGOBSA-N 2 1 247.342 1.111 20 0 BDADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccn3C)C[C@H]2C1 ZINC001203270239 966590395 /nfs/dbraw/zinc/59/03/95/966590395.db2.gz FPWUPQQJVAOCDD-CHWSQXEVSA-N 2 1 233.359 1.409 20 0 BDADMP CC/C=C\CC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205211809 966851241 /nfs/dbraw/zinc/85/12/41/966851241.db2.gz WCBKRRJNCSFFHP-SCOBNMCVSA-N 2 1 226.364 1.518 20 0 BDADMP CCC(CC)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205211826 966853983 /nfs/dbraw/zinc/85/39/83/966853983.db2.gz WOYLISMYVHGRMD-CYBMUJFWSA-N 2 1 228.380 1.598 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3cccc(C)n3)C[C@H]2C1 ZINC001204071080 966878057 /nfs/dbraw/zinc/87/80/57/966878057.db2.gz QWTCNOSXSOZUNN-OKILXGFUSA-N 2 1 245.370 1.774 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccnn1C ZINC001204104326 966895463 /nfs/dbraw/zinc/89/54/63/966895463.db2.gz POANISQUMRPLEX-LBPRGKRZSA-N 2 1 238.379 1.630 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000693030513 967054245 /nfs/dbraw/zinc/05/42/45/967054245.db2.gz HUBRFBSTBNSSFC-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1cc(N(C)c2cc(N)cc[nH+]2)c[nH+]c1N ZINC001249785030 967067429 /nfs/dbraw/zinc/06/74/29/967067429.db2.gz WAAKMLRVIKEISY-UHFFFAOYSA-N 2 1 229.287 1.717 20 0 BDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204599269 967099707 /nfs/dbraw/zinc/09/97/07/967099707.db2.gz VKXWOYRCCFYZTO-MNOVXSKESA-N 2 1 212.337 1.585 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204599269 967099719 /nfs/dbraw/zinc/09/97/19/967099719.db2.gz VKXWOYRCCFYZTO-MNOVXSKESA-N 2 1 212.337 1.585 20 0 BDADMP Cn1ccc2c1cccc2C[N@@H+]1CCC[NH2+]CC1 ZINC001204660491 967123437 /nfs/dbraw/zinc/12/34/37/967123437.db2.gz BTRKWYRWVMRVOR-UHFFFAOYSA-N 2 1 243.354 1.974 20 0 BDADMP Cn1ccc2c1cccc2C[N@H+]1CCC[NH2+]CC1 ZINC001204660491 967123444 /nfs/dbraw/zinc/12/34/44/967123444.db2.gz BTRKWYRWVMRVOR-UHFFFAOYSA-N 2 1 243.354 1.974 20 0 BDADMP Cc1cccc(CC[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204764381 967159105 /nfs/dbraw/zinc/15/91/05/967159105.db2.gz YFXRQOLPAPSZAR-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1cccc(CC[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204764381 967159111 /nfs/dbraw/zinc/15/91/11/967159111.db2.gz YFXRQOLPAPSZAR-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000715560168 967161007 /nfs/dbraw/zinc/16/10/07/967161007.db2.gz YWSVDNOYVKXQOZ-AAVRWANBSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001204946501 967249779 /nfs/dbraw/zinc/24/97/79/967249779.db2.gz PFHHBPQODLGUHI-HNNXBMFYSA-N 2 1 245.370 1.968 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001204946501 967249784 /nfs/dbraw/zinc/24/97/84/967249784.db2.gz PFHHBPQODLGUHI-HNNXBMFYSA-N 2 1 245.370 1.968 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000691348311 967253147 /nfs/dbraw/zinc/25/31/47/967253147.db2.gz JAHFQQBFHZKIRW-GFCCVEGCSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000691350162 967262598 /nfs/dbraw/zinc/26/25/98/967262598.db2.gz NQNDGLCECOXPHV-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1ccncc1 ZINC001205063775 967313004 /nfs/dbraw/zinc/31/30/04/967313004.db2.gz AIZLYFQRVBXCGY-JSGCOSHPSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1ccncc1 ZINC001205063775 967313016 /nfs/dbraw/zinc/31/30/16/967313016.db2.gz AIZLYFQRVBXCGY-JSGCOSHPSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccnc2[nH]ccc21 ZINC001205076863 967323900 /nfs/dbraw/zinc/32/39/00/967323900.db2.gz YDUMCKPMKARKPF-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccnc2[nH]ccc21 ZINC001205076863 967323909 /nfs/dbraw/zinc/32/39/09/967323909.db2.gz YDUMCKPMKARKPF-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccnc2[nH]ccc21 ZINC001205076863 967323920 /nfs/dbraw/zinc/32/39/20/967323920.db2.gz YDUMCKPMKARKPF-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP CC1(C[N@H+]2CCC[C@@H]([NH3+])CC2)CCOCC1 ZINC001205094967 967337121 /nfs/dbraw/zinc/33/71/21/967337121.db2.gz RROFEUHXSHNKEQ-GFCCVEGCSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC001205093601 967338057 /nfs/dbraw/zinc/33/80/57/967338057.db2.gz CCJYXKHYEJCHBN-LBPRGKRZSA-N 2 1 220.316 1.705 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2cc(O)cc(O)c2)CC1 ZINC001205101517 967345092 /nfs/dbraw/zinc/34/50/92/967345092.db2.gz HQRCXPANCGRBLC-LLVKDONJSA-N 2 1 236.315 1.411 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(O)cc(O)c2)CC1 ZINC001205101517 967345108 /nfs/dbraw/zinc/34/51/08/967345108.db2.gz HQRCXPANCGRBLC-LLVKDONJSA-N 2 1 236.315 1.411 20 0 BDADMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205101191 967345889 /nfs/dbraw/zinc/34/58/89/967345889.db2.gz BFKHSXUWGQXSRZ-CYBMUJFWSA-N 2 1 248.374 1.461 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001205102596 967348319 /nfs/dbraw/zinc/34/83/19/967348319.db2.gz UADMURKERGXONH-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001205102596 967348327 /nfs/dbraw/zinc/34/83/27/967348327.db2.gz UADMURKERGXONH-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)[nH]1 ZINC001205102611 967348966 /nfs/dbraw/zinc/34/89/66/967348966.db2.gz UMTVWDPURXTFAD-GFCCVEGCSA-N 2 1 221.348 1.945 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccnc3[nH]ccc32)CC1 ZINC001205109710 967351458 /nfs/dbraw/zinc/35/14/58/967351458.db2.gz JSZRYRJFCHRQPG-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205116704 967366317 /nfs/dbraw/zinc/36/63/17/967366317.db2.gz GUQATAOSBMHCPZ-LBPRGKRZSA-N 3 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205116704 967366324 /nfs/dbraw/zinc/36/63/24/967366324.db2.gz GUQATAOSBMHCPZ-LBPRGKRZSA-N 3 1 244.342 1.876 20 0 BDADMP COc1ccoc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123483 967369527 /nfs/dbraw/zinc/36/95/27/967369527.db2.gz BJQQDUWINDAGMU-JTQLQIEISA-N 2 1 224.304 1.601 20 0 BDADMP COc1ccoc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123483 967369537 /nfs/dbraw/zinc/36/95/37/967369537.db2.gz BJQQDUWINDAGMU-JTQLQIEISA-N 2 1 224.304 1.601 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)NCC3)CC1 ZINC001205124115 967370508 /nfs/dbraw/zinc/37/05/08/967370508.db2.gz KIMNKRHSYXLDGG-CQSZACIVSA-N 2 1 245.370 1.968 20 0 BDADMP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccn1 ZINC001205136156 967380374 /nfs/dbraw/zinc/38/03/74/967380374.db2.gz RXKPRFZCDLGSOJ-CMPLNLGQSA-N 2 1 235.331 1.117 20 0 BDADMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccn1 ZINC001205136156 967380385 /nfs/dbraw/zinc/38/03/85/967380385.db2.gz RXKPRFZCDLGSOJ-CMPLNLGQSA-N 2 1 235.331 1.117 20 0 BDADMP C[C@H]1C[N@H+](Cc2cc(O)ccc2F)C[C@H]1C[NH3+] ZINC001205140532 967389662 /nfs/dbraw/zinc/38/96/62/967389662.db2.gz LZSOIDHXSRCKBY-GXSJLCMTSA-N 2 1 238.306 1.558 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc(O)ccc2F)C[C@H]1C[NH3+] ZINC001205140532 967389672 /nfs/dbraw/zinc/38/96/72/967389672.db2.gz LZSOIDHXSRCKBY-GXSJLCMTSA-N 2 1 238.306 1.558 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2N)C[C@H]1C[NH3+] ZINC001205150839 967397096 /nfs/dbraw/zinc/39/70/96/967397096.db2.gz LNAAYHLPZFLNAF-CMPLNLGQSA-N 2 1 219.332 1.295 20 0 BDADMP C[C@H]1C[N@@H+](CC2OC=CC2=S)C[C@H]1C[NH3+] ZINC001205150901 967397522 /nfs/dbraw/zinc/39/75/22/967397522.db2.gz LRLUHGVNPUZKLI-DTWKUNHWSA-N 2 1 226.345 1.595 20 0 BDADMP C[C@H]1C[C@H](CO)C[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359758 967401709 /nfs/dbraw/zinc/40/17/09/967401709.db2.gz NMPXFWMZAYUTAM-JSGCOSHPSA-N 2 1 240.391 1.279 20 0 BDADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205170925 967407789 /nfs/dbraw/zinc/40/77/89/967407789.db2.gz GPFOXJPVLDDOPN-GRYCIOLGSA-N 2 1 242.363 1.387 20 0 BDADMP CSCCC[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257531 967446945 /nfs/dbraw/zinc/44/69/45/967446945.db2.gz WKKSUKYIISLPPR-LLVKDONJSA-N 2 1 216.394 1.943 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC001205258000 967451287 /nfs/dbraw/zinc/45/12/87/967451287.db2.gz ZUPDHHQHXZKZEJ-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccncn2)CC1 ZINC001205272994 967465755 /nfs/dbraw/zinc/46/57/55/967465755.db2.gz BWGBXISFPHYPOX-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccncn2)CC1 ZINC001205272994 967465762 /nfs/dbraw/zinc/46/57/62/967465762.db2.gz BWGBXISFPHYPOX-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP CCn1cncc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205287707 967484779 /nfs/dbraw/zinc/48/47/79/967484779.db2.gz AZKJAPNCFRLYLI-CYBMUJFWSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1cncc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205287707 967484790 /nfs/dbraw/zinc/48/47/90/967484790.db2.gz AZKJAPNCFRLYLI-CYBMUJFWSA-N 2 1 236.363 1.606 20 0 BDADMP CSCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205538584 967681143 /nfs/dbraw/zinc/68/11/43/967681143.db2.gz NZOASQKMYDKDTP-NSHDSACASA-N 2 1 234.384 1.892 20 0 BDADMP CCn1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC001205529195 967666186 /nfs/dbraw/zinc/66/61/86/967666186.db2.gz XWKJLSOHMOFOKK-KGLIPLIRSA-N 2 1 248.374 1.287 20 0 BDADMP CCn1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cn1 ZINC001205529195 967666213 /nfs/dbraw/zinc/66/62/13/967666213.db2.gz XWKJLSOHMOFOKK-KGLIPLIRSA-N 2 1 248.374 1.287 20 0 BDADMP CCn1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cn1 ZINC001205529195 967666229 /nfs/dbraw/zinc/66/62/29/967666229.db2.gz XWKJLSOHMOFOKK-KGLIPLIRSA-N 2 1 248.374 1.287 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC=CO2)CC[C@H]1C[NH3+] ZINC001205602269 967716872 /nfs/dbraw/zinc/71/68/72/967716872.db2.gz IDXOLPBOHGMGAV-RDBSUJKOSA-N 2 1 238.375 1.986 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)CC[C@H]1C[NH3+] ZINC001205601927 967720330 /nfs/dbraw/zinc/72/03/30/967720330.db2.gz GSUWZYXKGUURFP-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205627696 967732918 /nfs/dbraw/zinc/73/29/18/967732918.db2.gz RRUSOCFMQZJISV-ZYHUDNBSSA-N 2 1 237.347 1.790 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662430 967746476 /nfs/dbraw/zinc/74/64/76/967746476.db2.gz ASRIULAEYMWDTO-RYUDHWBXSA-N 2 1 246.420 1.304 20 0 BDADMP Cc1ccnc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205674065 967764699 /nfs/dbraw/zinc/76/46/99/967764699.db2.gz YPGGSGXZHZTUOA-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccnc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205674065 967764708 /nfs/dbraw/zinc/76/47/08/967764708.db2.gz YPGGSGXZHZTUOA-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP C[N@@H+](CCCC[NH3+])Cc1cccc(O)c1 ZINC001205895957 967876724 /nfs/dbraw/zinc/87/67/24/967876724.db2.gz SFXYTAJINMYWDS-UHFFFAOYSA-N 2 1 208.305 1.563 20 0 BDADMP N[C@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205925861 967877969 /nfs/dbraw/zinc/87/79/69/967877969.db2.gz ZQGCTZGYDMICEL-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@H]1CCCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205925861 967877973 /nfs/dbraw/zinc/87/79/73/967877973.db2.gz ZQGCTZGYDMICEL-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCCO ZINC001205902255 967879513 /nfs/dbraw/zinc/87/95/13/967879513.db2.gz JIMWHUVPZNFNAP-RYUDHWBXSA-N 2 1 214.353 1.208 20 0 BDADMP CCCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205960058 967903062 /nfs/dbraw/zinc/90/30/62/967903062.db2.gz YOEKLNLBAYBWRI-HUUCEWRRSA-N 2 1 248.370 1.533 20 0 BDADMP CCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205960058 967903080 /nfs/dbraw/zinc/90/30/80/967903080.db2.gz YOEKLNLBAYBWRI-HUUCEWRRSA-N 2 1 248.370 1.533 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)[nH]n1 ZINC001205982521 967937131 /nfs/dbraw/zinc/93/71/31/967937131.db2.gz MGJUNUAGTKMMLO-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)n[nH]1 ZINC001205982521 967937146 /nfs/dbraw/zinc/93/71/46/967937146.db2.gz MGJUNUAGTKMMLO-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)n[nH]1 ZINC001205982521 967937166 /nfs/dbraw/zinc/93/71/66/967937166.db2.gz MGJUNUAGTKMMLO-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cscn2)CCC[C@H]1C[NH3+] ZINC001205995542 967946243 /nfs/dbraw/zinc/94/62/43/967946243.db2.gz OYJFJGSWKDXUAG-QWRGUYRKSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cn(C)cn2)CCC[C@H]1C[NH3+] ZINC001205995913 967952081 /nfs/dbraw/zinc/95/20/81/967952081.db2.gz RSGMDVACXMHTGB-RYUDHWBXSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncn2C)CCC[C@@H]1C[NH3+] ZINC001205994681 967952214 /nfs/dbraw/zinc/95/22/14/967952214.db2.gz LVGKXVKFPFFAFJ-NWDGAFQWSA-N 2 1 236.363 1.227 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003397 967954957 /nfs/dbraw/zinc/95/49/57/967954957.db2.gz HMNPVRXMQOYXJW-ZYHUDNBSSA-N 2 1 237.347 1.790 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCSCC2)C[C@H]1[NH3+] ZINC001206048997 968013755 /nfs/dbraw/zinc/01/37/55/968013755.db2.gz FMGKZCDVUCBPNW-MWLCHTKSSA-N 2 1 214.378 1.409 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001206154229 968091498 /nfs/dbraw/zinc/09/14/98/968091498.db2.gz HQEIAXNFOBGNKS-STQMWFEESA-N 2 1 243.370 1.089 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206154229 968091506 /nfs/dbraw/zinc/09/15/06/968091506.db2.gz HQEIAXNFOBGNKS-STQMWFEESA-N 3 1 243.370 1.089 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206154229 968091522 /nfs/dbraw/zinc/09/15/22/968091522.db2.gz HQEIAXNFOBGNKS-STQMWFEESA-N 3 1 243.370 1.089 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccoc2)CC[C@H]1F ZINC001206163657 968104492 /nfs/dbraw/zinc/10/44/92/968104492.db2.gz DPGBRUILWDOJGX-MNOVXSKESA-N 2 1 212.268 1.541 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccoc2)CC[C@H]1F ZINC001206163657 968104501 /nfs/dbraw/zinc/10/45/01/968104501.db2.gz DPGBRUILWDOJGX-MNOVXSKESA-N 2 1 212.268 1.541 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001206262940 968182697 /nfs/dbraw/zinc/18/26/97/968182697.db2.gz JWVDJYIWDWMGBS-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001206262940 968182704 /nfs/dbraw/zinc/18/27/04/968182704.db2.gz JWVDJYIWDWMGBS-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(N)c2)C1 ZINC001206277589 968189578 /nfs/dbraw/zinc/18/95/78/968189578.db2.gz UYWJKHNQOGHVBH-NSHDSACASA-N 2 1 219.332 1.310 20 0 BDADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(N)c2)C1 ZINC001206277589 968189582 /nfs/dbraw/zinc/18/95/82/968189582.db2.gz UYWJKHNQOGHVBH-NSHDSACASA-N 2 1 219.332 1.310 20 0 BDADMP C[C@@]1(C[NH3+])CCCN(c2[nH+]cccc2N)CC1 ZINC001164241650 968197312 /nfs/dbraw/zinc/19/73/12/968197312.db2.gz CZMBXMDOBJVYRL-CYBMUJFWSA-N 2 1 234.347 1.619 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC001206296195 968200175 /nfs/dbraw/zinc/20/01/75/968200175.db2.gz QFTYCAHVDSDGQR-AWEZNQCLSA-N 3 1 241.423 1.956 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206295860 968201843 /nfs/dbraw/zinc/20/18/43/968201843.db2.gz OGJWUTGIXLABGB-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnco2)CC1 ZINC001206310881 968217400 /nfs/dbraw/zinc/21/74/00/968217400.db2.gz DVSALUNRNMKKBH-GFCCVEGCSA-N 2 1 223.320 1.626 20 0 BDADMP Cc1nonc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206336140 968239283 /nfs/dbraw/zinc/23/92/83/968239283.db2.gz KBVUAOGHUQEHJT-LBPRGKRZSA-N 2 1 238.335 1.329 20 0 BDADMP C[C@]1(CO)CCC[N@@H+](CCCC[NH3+])CC1 ZINC001206404624 968282708 /nfs/dbraw/zinc/28/27/08/968282708.db2.gz MOCSATJHIWLOIA-LBPRGKRZSA-N 2 1 214.353 1.210 20 0 BDADMP C[C@@H]1CC[N@H+](CCCC[NH3+])CC1(F)F ZINC001206500249 968345533 /nfs/dbraw/zinc/34/55/33/968345533.db2.gz JLWNKWVRWKREBK-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCC[NH3+])CC1(F)F ZINC001206500249 968345542 /nfs/dbraw/zinc/34/55/42/968345542.db2.gz JLWNKWVRWKREBK-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP CC1(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)COC1 ZINC001206542292 968365910 /nfs/dbraw/zinc/36/59/10/968365910.db2.gz XGRPPUGVLNTXIL-LBPRGKRZSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001206541992 968366115 /nfs/dbraw/zinc/36/61/15/968366115.db2.gz OQHSVHCKPHFCEI-ZIAGYGMSSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCC[NH3+])C1 ZINC001206541731 968366667 /nfs/dbraw/zinc/36/66/67/968366667.db2.gz IODMXKGSSWQZDP-GFCCVEGCSA-N 3 1 213.369 1.176 20 0 BDADMP C[C@]1(CN)CCCC[N@H+](CCCC[NH3+])C1 ZINC001206541731 968366676 /nfs/dbraw/zinc/36/66/76/968366676.db2.gz IODMXKGSSWQZDP-GFCCVEGCSA-N 2 1 213.369 1.176 20 0 BDADMP C[C@]1(CN)CCCC[N@@H+](CCCC[NH3+])C1 ZINC001206541731 968366685 /nfs/dbraw/zinc/36/66/85/968366685.db2.gz IODMXKGSSWQZDP-GFCCVEGCSA-N 2 1 213.369 1.176 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001206541989 968369141 /nfs/dbraw/zinc/36/91/41/968369141.db2.gz OQHSVHCKPHFCEI-KBPBESRZSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001206541990 968369405 /nfs/dbraw/zinc/36/94/05/968369405.db2.gz OQHSVHCKPHFCEI-KGLIPLIRSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnc(N)cn2)C1 ZINC001206575339 968396578 /nfs/dbraw/zinc/39/65/78/968396578.db2.gz WBVVUONEGNBNOL-ZDUSSCGKSA-N 2 1 249.362 1.010 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(N)cn2)C1 ZINC001206575339 968396585 /nfs/dbraw/zinc/39/65/85/968396585.db2.gz WBVVUONEGNBNOL-ZDUSSCGKSA-N 2 1 249.362 1.010 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001206606356 968413899 /nfs/dbraw/zinc/41/38/99/968413899.db2.gz LOENEQPXXQTRJN-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001206606356 968413904 /nfs/dbraw/zinc/41/39/04/968413904.db2.gz LOENEQPXXQTRJN-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP Nc1ccncc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615482 968418438 /nfs/dbraw/zinc/41/84/38/968418438.db2.gz FODGPISLKLNMGH-LLVKDONJSA-N 2 1 234.347 1.055 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)n1C ZINC001206795937 968482420 /nfs/dbraw/zinc/48/24/20/968482420.db2.gz NZUMHNIOOKKNKY-OCCSQVGLSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)n1C ZINC001206795937 968482424 /nfs/dbraw/zinc/48/24/24/968482424.db2.gz NZUMHNIOOKKNKY-OCCSQVGLSA-N 2 1 248.374 1.255 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001207274713 968702384 /nfs/dbraw/zinc/70/23/84/968702384.db2.gz FJLCZCPNSISUBX-NWDGAFQWSA-N 2 1 246.370 1.369 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CO ZINC001207274737 968706602 /nfs/dbraw/zinc/70/66/02/968706602.db2.gz FWSXJTQGQWNEEP-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC[C@H]1O ZINC001207391660 968745865 /nfs/dbraw/zinc/74/58/65/968745865.db2.gz KSJUXIYTDPPDQY-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001207395533 968750524 /nfs/dbraw/zinc/75/05/24/968750524.db2.gz SZCHCHZRRVQODW-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)O[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207399620 968751417 /nfs/dbraw/zinc/75/14/17/968751417.db2.gz PQBLJEYXRWJSFV-AWEZNQCLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001207393929 968752628 /nfs/dbraw/zinc/75/26/28/968752628.db2.gz FUGJLWGNYLFPGD-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP FC1(F)CC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435971 968767849 /nfs/dbraw/zinc/76/78/49/968767849.db2.gz QIRXPVGQLBUDGR-NEPJUHHUSA-N 2 1 244.329 1.963 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001207435253 968769319 /nfs/dbraw/zinc/76/93/19/968769319.db2.gz BJUYFNAWYFDXRU-AWEZNQCLSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@H]1O ZINC001207436369 968769888 /nfs/dbraw/zinc/76/98/88/968769888.db2.gz IUGPLQGYGYEBIF-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@]1(C)O ZINC001207437003 968770645 /nfs/dbraw/zinc/77/06/45/968770645.db2.gz ZITFFVUNFGVKBD-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001207436331 968771167 /nfs/dbraw/zinc/77/11/67/968771167.db2.gz FEVYGLMRNWHRMM-TZMCWYRMSA-N 2 1 240.391 1.469 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001207441188 968775109 /nfs/dbraw/zinc/77/51/09/968775109.db2.gz VVUVSRZUXIKYEK-PBWFPOADSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479978 968793437 /nfs/dbraw/zinc/79/34/37/968793437.db2.gz RCCSRXIOIZUWIQ-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP COC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001207485255 968798832 /nfs/dbraw/zinc/79/88/32/968798832.db2.gz VSFQDPJMZLTNHL-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207485255 968798840 /nfs/dbraw/zinc/79/88/40/968798840.db2.gz VSFQDPJMZLTNHL-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccncn1 ZINC001207488001 968803229 /nfs/dbraw/zinc/80/32/29/968803229.db2.gz BLFZXOSSLSFEKN-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829274885 968824490 /nfs/dbraw/zinc/82/44/90/968824490.db2.gz IFVZBKLZUZTLMK-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@@H]2C1 ZINC001207838134 968897107 /nfs/dbraw/zinc/89/71/07/968897107.db2.gz WGTUKRFCNHMBNZ-QCNOEVLYSA-N 2 1 226.389 1.422 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207896183 968909786 /nfs/dbraw/zinc/90/97/86/968909786.db2.gz KYSONYZUGVKSNK-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207896183 968909794 /nfs/dbraw/zinc/90/97/94/968909794.db2.gz KYSONYZUGVKSNK-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207896183 968909803 /nfs/dbraw/zinc/90/98/03/968909803.db2.gz KYSONYZUGVKSNK-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001252789151 968967597 /nfs/dbraw/zinc/96/75/97/968967597.db2.gz MXRBANKUWMPKJU-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP Cc1cc[nH+]c(N[C@H]2COCCC23C[NH2+]C3)c1 ZINC001155462852 968987111 /nfs/dbraw/zinc/98/71/11/968987111.db2.gz QWTWZTKWRJWQJM-NSHDSACASA-N 2 1 233.315 1.180 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001208109341 969002983 /nfs/dbraw/zinc/00/29/83/969002983.db2.gz JTCYSOGANZDKST-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001208116184 969010026 /nfs/dbraw/zinc/01/00/26/969010026.db2.gz PUCQERZYJGOFNI-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208604825 969151315 /nfs/dbraw/zinc/15/13/15/969151315.db2.gz WRUFQMIFOZCDPI-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208604825 969151318 /nfs/dbraw/zinc/15/13/18/969151318.db2.gz WRUFQMIFOZCDPI-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208604825 969151325 /nfs/dbraw/zinc/15/13/25/969151325.db2.gz WRUFQMIFOZCDPI-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2CO)CC1 ZINC001208595143 969151395 /nfs/dbraw/zinc/15/13/95/969151395.db2.gz QGCNUMDXSAXBQV-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208598538 969151854 /nfs/dbraw/zinc/15/18/54/969151854.db2.gz RZVVPJPDDYPEFG-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607936 969160494 /nfs/dbraw/zinc/16/04/94/969160494.db2.gz OQNFDNSRYMPHFS-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607936 969160501 /nfs/dbraw/zinc/16/05/01/969160501.db2.gz OQNFDNSRYMPHFS-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607936 969160512 /nfs/dbraw/zinc/16/05/12/969160512.db2.gz OQNFDNSRYMPHFS-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1C ZINC001208612792 969170649 /nfs/dbraw/zinc/17/06/49/969170649.db2.gz NVTQSQKJLVMYEY-MJBXVCDLSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1C ZINC001208612792 969170654 /nfs/dbraw/zinc/17/06/54/969170654.db2.gz NVTQSQKJLVMYEY-MJBXVCDLSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1C ZINC001208612792 969170660 /nfs/dbraw/zinc/17/06/60/969170660.db2.gz NVTQSQKJLVMYEY-MJBXVCDLSA-N 2 1 239.407 1.353 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC001208618307 969175963 /nfs/dbraw/zinc/17/59/63/969175963.db2.gz WEYWMQYDBZDZDN-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC001208618307 969175968 /nfs/dbraw/zinc/17/59/68/969175968.db2.gz WEYWMQYDBZDZDN-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC001208618307 969175975 /nfs/dbraw/zinc/17/59/75/969175975.db2.gz WEYWMQYDBZDZDN-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC001208618307 969175979 /nfs/dbraw/zinc/17/59/79/969175979.db2.gz WEYWMQYDBZDZDN-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001208687130 969194990 /nfs/dbraw/zinc/19/49/90/969194990.db2.gz PVNQJDPDHCEOBC-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001208687130 969194992 /nfs/dbraw/zinc/19/49/92/969194992.db2.gz PVNQJDPDHCEOBC-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001208687130 969194995 /nfs/dbraw/zinc/19/49/95/969194995.db2.gz PVNQJDPDHCEOBC-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC001208881718 969271624 /nfs/dbraw/zinc/27/16/24/969271624.db2.gz DYGBLUXTEVTFIN-HZSPNIEDSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC001208881718 969271634 /nfs/dbraw/zinc/27/16/34/969271634.db2.gz DYGBLUXTEVTFIN-HZSPNIEDSA-N 2 1 236.359 1.563 20 0 BDADMP Cc1cnc(C[NH3+])n1-c1c[nH+]c(N(C)C)cc1C ZINC001169028567 969348379 /nfs/dbraw/zinc/34/83/79/969348379.db2.gz MJUXEGSIEFWFNX-UHFFFAOYSA-N 2 1 245.330 1.409 20 0 BDADMP Cc1cc(C[NH3+])nn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093590 969387241 /nfs/dbraw/zinc/38/72/41/969387241.db2.gz IUGGRRBKYJKYMO-ITGUQSILSA-N 2 1 234.347 1.448 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H]1C[NH3+])C2 ZINC001169099998 969390312 /nfs/dbraw/zinc/39/03/12/969390312.db2.gz YWIBKDHGTDZCNF-QNWHQSFQSA-N 2 1 223.364 1.035 20 0 BDADMP CC(C)N(CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096433 969390498 /nfs/dbraw/zinc/39/04/98/969390498.db2.gz WLXFEHIUCRCNHE-BTTYYORXSA-N 2 1 239.407 1.671 20 0 BDADMP CN([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH3+] ZINC001169100319 969391038 /nfs/dbraw/zinc/39/10/38/969391038.db2.gz ITVLOQAVYROMGN-GDNZZTSVSA-N 2 1 225.380 1.281 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCn1cccn1)C2 ZINC001169096490 969392514 /nfs/dbraw/zinc/39/25/14/969392514.db2.gz XMVIMCMPEKPLIS-CLLJXQQHSA-N 2 1 234.347 1.098 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001169077932 969400384 /nfs/dbraw/zinc/40/03/84/969400384.db2.gz BXNOHEOGCSROBX-YVECIDJPSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCO)C2 ZINC001169080952 969405117 /nfs/dbraw/zinc/40/51/17/969405117.db2.gz NYQYASKAZPWTLW-CLLJXQQHSA-N 2 1 226.364 1.364 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccnc1CC[NH3+])C2 ZINC001169091398 969406117 /nfs/dbraw/zinc/40/61/17/969406117.db2.gz QCKYPHIDQOOIDY-GDNZZTSVSA-N 2 1 234.347 1.182 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001169091459 969410397 /nfs/dbraw/zinc/41/03/97/969410397.db2.gz ROKXXXGYSKOMCD-ZDEQEGDKSA-N 2 1 224.348 1.238 20 0 BDADMP CN(CC[NH+](C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122753 969419539 /nfs/dbraw/zinc/41/95/39/969419539.db2.gz CVESVPBXYDGXGN-ITGUQSILSA-N 2 1 225.380 1.105 20 0 BDADMP C[NH+](C)[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125491 969427954 /nfs/dbraw/zinc/42/79/54/969427954.db2.gz IVGKFUDIAMGXFF-RFQIPJPRSA-N 2 1 237.391 1.248 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(C1)CCOC3)C2 ZINC001169126416 969431296 /nfs/dbraw/zinc/43/12/96/969431296.db2.gz SVFJJDXQYBLDIK-CLLJXQQHSA-N 2 1 236.359 1.334 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(C1)CCOC3)C2 ZINC001169126416 969431299 /nfs/dbraw/zinc/43/12/99/969431299.db2.gz SVFJJDXQYBLDIK-CLLJXQQHSA-N 2 1 236.359 1.334 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CCC[C@@H]3C1)C2 ZINC001169139637 969444924 /nfs/dbraw/zinc/44/49/24/969444924.db2.gz CNJIRVOYFBDMIX-LXTVHRRPSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001169139637 969444929 /nfs/dbraw/zinc/44/49/29/969444929.db2.gz CNJIRVOYFBDMIX-LXTVHRRPSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001169139637 969444938 /nfs/dbraw/zinc/44/49/38/969444938.db2.gz CNJIRVOYFBDMIX-LXTVHRRPSA-N 2 1 249.402 1.392 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108174 969450264 /nfs/dbraw/zinc/45/02/64/969450264.db2.gz OZNOFEVCEPWIHF-XGFWRYKXSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)C2 ZINC001169115734 969456150 /nfs/dbraw/zinc/45/61/50/969456150.db2.gz NQCPPGKFBOCQEX-CNDDSTCGSA-N 2 1 240.391 1.751 20 0 BDADMP COC(C[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC001169146681 969460044 /nfs/dbraw/zinc/46/00/44/969460044.db2.gz RBXASGSZMBGABF-GDNZZTSVSA-N 2 1 242.363 1.162 20 0 BDADMP COC(C[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC001169146681 969460057 /nfs/dbraw/zinc/46/00/57/969460057.db2.gz RBXASGSZMBGABF-GDNZZTSVSA-N 2 1 242.363 1.162 20 0 BDADMP COC(C[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC001169146681 969460075 /nfs/dbraw/zinc/46/00/75/969460075.db2.gz RBXASGSZMBGABF-GDNZZTSVSA-N 2 1 242.363 1.162 20 0 BDADMP COC(C[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC001169146681 969460085 /nfs/dbraw/zinc/46/00/85/969460085.db2.gz RBXASGSZMBGABF-GDNZZTSVSA-N 2 1 242.363 1.162 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]13CCOC3)C2 ZINC001169153032 969461073 /nfs/dbraw/zinc/46/10/73/969461073.db2.gz GCUTUUTYDZNOKF-ZOBORPQBSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]13CCOC3)C2 ZINC001169153032 969461083 /nfs/dbraw/zinc/46/10/83/969461083.db2.gz GCUTUUTYDZNOKF-ZOBORPQBSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]13CCOC3)C2 ZINC001169153032 969461090 /nfs/dbraw/zinc/46/10/90/969461090.db2.gz GCUTUUTYDZNOKF-ZOBORPQBSA-N 2 1 236.359 1.476 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc3c1CC[NH2+]C3)C2 ZINC001169154745 969472020 /nfs/dbraw/zinc/47/20/20/969472020.db2.gz UCVPOUHEIFJTQH-WDNDVIMCSA-N 2 1 245.370 1.932 20 0 BDADMP COC(C)(C)CC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209409338 969479802 /nfs/dbraw/zinc/47/98/02/969479802.db2.gz GYCCWDHTNBMDNX-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@H+](CC(C)(C)O)C1CC[NH+](CC)CC1 ZINC001169263789 969517614 /nfs/dbraw/zinc/51/76/14/969517614.db2.gz BHOLGDUWKQPGBY-UHFFFAOYSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](CC(C)(C)O)C1CC[NH+](CC)CC1 ZINC001169263789 969517620 /nfs/dbraw/zinc/51/76/20/969517620.db2.gz BHOLGDUWKQPGBY-UHFFFAOYSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CCC([NH2+]CCOc2ccncc2)CC1 ZINC001169244215 969530347 /nfs/dbraw/zinc/53/03/47/969530347.db2.gz IMEFTHTZDKHFMX-UHFFFAOYSA-N 2 1 249.358 1.534 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H](O)[C@@H](C)C2)CC1 ZINC001169245407 969530737 /nfs/dbraw/zinc/53/07/37/969530737.db2.gz CTVPPEVDJHRNCE-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](O)[C@@H](C)C2)CC1 ZINC001169245407 969530733 /nfs/dbraw/zinc/53/07/33/969530733.db2.gz CTVPPEVDJHRNCE-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC(NC2C[NH+](C(C)(C)C)C2)CC1 ZINC001169241474 969530822 /nfs/dbraw/zinc/53/08/22/969530822.db2.gz LAZCSTHGLLTOBU-UHFFFAOYSA-N 2 1 239.407 1.543 20 0 BDADMP CCN1CCC([N@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001169246234 969535662 /nfs/dbraw/zinc/53/56/62/969535662.db2.gz PZCCXYNDMYMUKZ-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001169246234 969535669 /nfs/dbraw/zinc/53/56/69/969535669.db2.gz PZCCXYNDMYMUKZ-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001169246234 969535679 /nfs/dbraw/zinc/53/56/79/969535679.db2.gz PZCCXYNDMYMUKZ-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](C)[C@H]2CO)CC1 ZINC001169245528 969536689 /nfs/dbraw/zinc/53/66/89/969536689.db2.gz GVQKUCWCVBUHMB-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](C)[C@H]2CO)CC1 ZINC001169245528 969536691 /nfs/dbraw/zinc/53/66/91/969536691.db2.gz GVQKUCWCVBUHMB-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@]1(O)CCCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209728882 969580147 /nfs/dbraw/zinc/58/01/47/969580147.db2.gz XOXVYQPPLQUJSL-ZDUSSCGKSA-N 2 1 235.331 1.231 20 0 BDADMP C[C@]1(O)CCCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209728882 969580156 /nfs/dbraw/zinc/58/01/56/969580156.db2.gz XOXVYQPPLQUJSL-ZDUSSCGKSA-N 2 1 235.331 1.231 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001209728888 969580187 /nfs/dbraw/zinc/58/01/87/969580187.db2.gz XSLQIIJBPSDKGZ-FZMZJTMJSA-N 2 1 247.342 1.495 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001209728888 969580194 /nfs/dbraw/zinc/58/01/94/969580194.db2.gz XSLQIIJBPSDKGZ-FZMZJTMJSA-N 2 1 247.342 1.495 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCCOC1 ZINC001254367224 969582455 /nfs/dbraw/zinc/58/24/55/969582455.db2.gz FOPQZERXGPKMJV-JTQLQIEISA-N 2 1 209.293 1.044 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001209729200 969589415 /nfs/dbraw/zinc/58/94/15/969589415.db2.gz HKXLELMASIUSIB-LLVKDONJSA-N 2 1 223.295 1.818 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001209729200 969589418 /nfs/dbraw/zinc/58/94/18/969589418.db2.gz HKXLELMASIUSIB-LLVKDONJSA-N 2 1 223.295 1.818 20 0 BDADMP CC[N@H+](C)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254389264 969608627 /nfs/dbraw/zinc/60/86/27/969608627.db2.gz PQXXZNHOVQBIOL-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254389264 969608634 /nfs/dbraw/zinc/60/86/34/969608634.db2.gz PQXXZNHOVQBIOL-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CCOC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254499806 969661894 /nfs/dbraw/zinc/66/18/94/969661894.db2.gz AXHIQCHAJBZYFB-NWDGAFQWSA-N 2 1 242.363 1.402 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]CC2CC(=O)C2)CC1 ZINC001254502139 969664157 /nfs/dbraw/zinc/66/41/57/969664157.db2.gz BZIHEBIMJZCLHW-LLVKDONJSA-N 2 1 210.321 1.039 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC(=O)C2)CC1 ZINC001254502139 969664173 /nfs/dbraw/zinc/66/41/73/969664173.db2.gz BZIHEBIMJZCLHW-LLVKDONJSA-N 2 1 210.321 1.039 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(=O)CC2)CC1 ZINC001254502491 969667674 /nfs/dbraw/zinc/66/76/74/969667674.db2.gz DWBHIFBNABMVDP-NSHDSACASA-N 2 1 224.348 1.572 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC001254502537 969667250 /nfs/dbraw/zinc/66/72/50/969667250.db2.gz FKMWYZUPZOSYSQ-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2CCC(=O)CC2)CC1 ZINC001254502491 969667697 /nfs/dbraw/zinc/66/76/97/969667697.db2.gz DWBHIFBNABMVDP-NSHDSACASA-N 2 1 224.348 1.572 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254504599 969672745 /nfs/dbraw/zinc/67/27/45/969672745.db2.gz VMRHBLYMRBPTJL-QWHCGFSZSA-N 2 1 248.374 1.482 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCC2COC2)CC1 ZINC001254506075 969672797 /nfs/dbraw/zinc/67/27/97/969672797.db2.gz OSDYUGYCRPVNMI-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccc(C[NH3+])c2)CC1 ZINC001254505461 969674808 /nfs/dbraw/zinc/67/48/08/969674808.db2.gz GORIMQGJGSWDSQ-GFCCVEGCSA-N 2 1 207.321 1.604 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccnc(F)c2)CC1 ZINC001254507170 969674929 /nfs/dbraw/zinc/67/49/29/969674929.db2.gz IIWKDABGFXOWSU-LBPRGKRZSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccnc(F)c2)CC1 ZINC001254507170 969674936 /nfs/dbraw/zinc/67/49/36/969674936.db2.gz IIWKDABGFXOWSU-LBPRGKRZSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccnc2)CC1 ZINC001254505512 969676184 /nfs/dbraw/zinc/67/61/84/969676184.db2.gz HRQLKRJMIVAKFE-ZIAGYGMSSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H](n2cccc2CC[NH3+])CC1 ZINC001254509090 969679037 /nfs/dbraw/zinc/67/90/37/969679037.db2.gz VWXUAXFBLYEPLP-ZDUSSCGKSA-N 2 1 221.348 1.646 20 0 BDADMP C[C@H]1COCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515675 969683655 /nfs/dbraw/zinc/68/36/55/969683655.db2.gz AQCCMOCDRRFTBB-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1COCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254515675 969683658 /nfs/dbraw/zinc/68/36/58/969683658.db2.gz AQCCMOCDRRFTBB-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1COCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515675 969683664 /nfs/dbraw/zinc/68/36/64/969683664.db2.gz AQCCMOCDRRFTBB-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](CC)CCN(C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515895 969685788 /nfs/dbraw/zinc/68/57/88/969685788.db2.gz GFWKTJTYCZDDCQ-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccnc2CCC[NH3+])CC1 ZINC001254514044 969688336 /nfs/dbraw/zinc/68/83/36/969688336.db2.gz IQPZVMUDXQEOTI-GFCCVEGCSA-N 2 1 236.363 1.431 20 0 BDADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517591 969694152 /nfs/dbraw/zinc/69/41/52/969694152.db2.gz WKKOUVYPIIKIJA-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517591 969694156 /nfs/dbraw/zinc/69/41/56/969694156.db2.gz WKKOUVYPIIKIJA-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254517591 969694162 /nfs/dbraw/zinc/69/41/62/969694162.db2.gz WKKOUVYPIIKIJA-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517591 969694171 /nfs/dbraw/zinc/69/41/71/969694171.db2.gz WKKOUVYPIIKIJA-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517081 969699653 /nfs/dbraw/zinc/69/96/53/969699653.db2.gz RXZHOUIGHSHCMG-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCSCC2)CC1 ZINC001254521272 969711961 /nfs/dbraw/zinc/71/19/61/969711961.db2.gz USIAGPADRHZLOQ-LLVKDONJSA-N 2 1 214.378 1.520 20 0 BDADMP CC(=O)[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254526700 969715171 /nfs/dbraw/zinc/71/51/71/969715171.db2.gz TWHGNIAFXWZUAU-UONOGXRCSA-N 2 1 238.375 1.772 20 0 BDADMP CO[C@H](C)C1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532104 969724929 /nfs/dbraw/zinc/72/49/29/969724929.db2.gz PDCFXONGLUDKDZ-DGCLKSJQSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)[C@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CCO1 ZINC001254529227 969726094 /nfs/dbraw/zinc/72/60/94/969726094.db2.gz LHMYHSPUPVYZSU-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCO1 ZINC001254529227 969726099 /nfs/dbraw/zinc/72/60/99/969726099.db2.gz LHMYHSPUPVYZSU-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCO1 ZINC001254529227 969726103 /nfs/dbraw/zinc/72/61/03/969726103.db2.gz LHMYHSPUPVYZSU-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001254529227 969726112 /nfs/dbraw/zinc/72/61/12/969726112.db2.gz LHMYHSPUPVYZSU-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H](C)C1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532103 969726483 /nfs/dbraw/zinc/72/64/83/969726483.db2.gz PDCFXONGLUDKDZ-AAEUAGOBSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC[C@H]2COCC[N@@H+]2C)cc1 ZINC001169656441 969802046 /nfs/dbraw/zinc/80/20/46/969802046.db2.gz MATFWAXMUIJZAA-FZMZJTMJSA-N 2 1 249.358 1.449 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC[C@H]2COCC[N@H+]2C)cc1 ZINC001169656441 969802053 /nfs/dbraw/zinc/80/20/53/969802053.db2.gz MATFWAXMUIJZAA-FZMZJTMJSA-N 2 1 249.358 1.449 20 0 BDADMP C[N@H+]1CCCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254852600 969805379 /nfs/dbraw/zinc/80/53/79/969805379.db2.gz HOSKLVPWTINLPK-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP CCN(C1C[NH+](C)C1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254867831 969814310 /nfs/dbraw/zinc/81/43/10/969814310.db2.gz MBSASHJGMNELOO-CYBMUJFWSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+](C)CCC[N@H+](C)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254943996 969832087 /nfs/dbraw/zinc/83/20/87/969832087.db2.gz OBVWMZGFUBNSPV-RYUDHWBXSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254943996 969832090 /nfs/dbraw/zinc/83/20/90/969832090.db2.gz OBVWMZGFUBNSPV-RYUDHWBXSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2cc(C[NH3+])ncn2)C1 ZINC001156377809 969850571 /nfs/dbraw/zinc/85/05/71/969850571.db2.gz GLDORJMRMMBXAI-NSHDSACASA-N 2 1 249.362 1.079 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCOCC3)C[C@@H]2C1 ZINC001255038428 969859955 /nfs/dbraw/zinc/85/99/55/969859955.db2.gz BSBJXZCWYWZQMQ-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1C1CCSCC1 ZINC001255088617 969923791 /nfs/dbraw/zinc/92/37/91/969923791.db2.gz VRPUBCJXWFOKMG-UHFFFAOYSA-N 2 1 225.361 1.843 20 0 BDADMP C[NH2+][C@H]1CCN1c1cc(N2CCCC2)cc[nH+]1 ZINC001156657409 969969530 /nfs/dbraw/zinc/96/95/30/969969530.db2.gz BDMJRIXVLZFHLO-GFCCVEGCSA-N 2 1 232.331 1.437 20 0 BDADMP Cc1cc(N(C)C(C)(C)C[NH3+])c2[nH+]ccn2c1 ZINC001170058772 970108125 /nfs/dbraw/zinc/10/81/25/970108125.db2.gz FSAMZFUWEYSPGJ-UHFFFAOYSA-N 2 1 232.331 1.816 20 0 BDADMP C[N@H+]1CC[C@H](n2cc(CC[NH3+])c3ncccc32)C1 ZINC001255417348 970138198 /nfs/dbraw/zinc/13/81/98/970138198.db2.gz KYEBMXWQLPYEKB-LBPRGKRZSA-N 2 1 244.342 1.414 20 0 BDADMP C[N@H+]1CC[C@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C1 ZINC001255433080 970157849 /nfs/dbraw/zinc/15/78/49/970157849.db2.gz VBQMWHVFBVJZJF-AWEZNQCLSA-N 2 1 249.402 1.108 20 0 BDADMP C[NH+]1CC[C@H](N2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001255433080 970157852 /nfs/dbraw/zinc/15/78/52/970157852.db2.gz VBQMWHVFBVJZJF-AWEZNQCLSA-N 2 1 249.402 1.108 20 0 BDADMP C[NH+]1CC[C@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001255433080 970157855 /nfs/dbraw/zinc/15/78/55/970157855.db2.gz VBQMWHVFBVJZJF-AWEZNQCLSA-N 2 1 249.402 1.108 20 0 BDADMP CN(CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001255435291 970160588 /nfs/dbraw/zinc/16/05/88/970160588.db2.gz DGQIGZXCVPWBFW-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CCN(CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](C)C1 ZINC001255439543 970170573 /nfs/dbraw/zinc/17/05/73/970170573.db2.gz VEEIGFPSCPZAQZ-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC001255439032 970171878 /nfs/dbraw/zinc/17/18/78/970171878.db2.gz QCFHCBXYMUGWLN-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001255467372 970195589 /nfs/dbraw/zinc/19/55/89/970195589.db2.gz BKFQRUVLOYTOEO-SNVBAGLBSA-N 2 1 237.322 1.791 20 0 BDADMP C[N@H+]1CCC[C@@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001255475064 970207951 /nfs/dbraw/zinc/20/79/51/970207951.db2.gz KWOWBUZOXFUTDY-GFCCVEGCSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001255487775 970239252 /nfs/dbraw/zinc/23/92/52/970239252.db2.gz VGWBOWCAWIGTJN-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@@H+](C1CC1)[C@H]1CCN([C@H]2CCC[NH+](C)C2)C1 ZINC001255492884 970253951 /nfs/dbraw/zinc/25/39/51/970253951.db2.gz NDOWYYFYJBIYGB-KBPBESRZSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)[C@H]1CCN([C@H]2CCC[N@H+](C)C2)C1 ZINC001255492884 970253960 /nfs/dbraw/zinc/25/39/60/970253960.db2.gz NDOWYYFYJBIYGB-KBPBESRZSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)[C@H]1CCN([C@H]2CCC[N@@H+](C)C2)C1 ZINC001255492884 970253975 /nfs/dbraw/zinc/25/39/75/970253975.db2.gz NDOWYYFYJBIYGB-KBPBESRZSA-N 2 1 237.391 1.249 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@H]2CCC[NH+](C)C2)C1 ZINC001255493453 970254507 /nfs/dbraw/zinc/25/45/07/970254507.db2.gz YCUWBORMFFELLE-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2CCC[N@H+](C)C2)C1 ZINC001255493453 970254517 /nfs/dbraw/zinc/25/45/17/970254517.db2.gz YCUWBORMFFELLE-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2CCC[N@@H+](C)C2)C1 ZINC001255493453 970254522 /nfs/dbraw/zinc/25/45/22/970254522.db2.gz YCUWBORMFFELLE-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001255545307 970316945 /nfs/dbraw/zinc/31/69/45/970316945.db2.gz GIQKBVIJTMPMQY-LBPRGKRZSA-N 2 1 249.358 1.699 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001255545307 970316955 /nfs/dbraw/zinc/31/69/55/970316955.db2.gz GIQKBVIJTMPMQY-LBPRGKRZSA-N 2 1 249.358 1.699 20 0 BDADMP CC[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662485 970445387 /nfs/dbraw/zinc/44/53/87/970445387.db2.gz MJGGDWDNFPIDTL-WODVXLOZSA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662485 970445394 /nfs/dbraw/zinc/44/53/94/970445394.db2.gz MJGGDWDNFPIDTL-WODVXLOZSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673926 970453828 /nfs/dbraw/zinc/45/38/28/970453828.db2.gz IDEZLXSXBAYSQH-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673926 970453836 /nfs/dbraw/zinc/45/38/36/970453836.db2.gz IDEZLXSXBAYSQH-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673926 970453842 /nfs/dbraw/zinc/45/38/42/970453842.db2.gz IDEZLXSXBAYSQH-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673926 970453850 /nfs/dbraw/zinc/45/38/50/970453850.db2.gz IDEZLXSXBAYSQH-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP CN1CC2(C1)CCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001276709796 970475925 /nfs/dbraw/zinc/47/59/25/970475925.db2.gz PRYMTGNZOJPZHN-UHFFFAOYSA-N 2 1 237.391 1.014 20 0 BDADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001255774573 970480188 /nfs/dbraw/zinc/48/01/88/970480188.db2.gz IFSPAJGQXDIGHY-GXTWGEPZSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001255774573 970480199 /nfs/dbraw/zinc/48/01/99/970480199.db2.gz IFSPAJGQXDIGHY-GXTWGEPZSA-N 2 1 218.344 1.959 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@H](C)C[NH3+])CCO1 ZINC001170182607 970556689 /nfs/dbraw/zinc/55/66/89/970556689.db2.gz NJWQBDHFWWZNMU-GRYCIOLGSA-N 2 1 214.353 1.471 20 0 BDADMP CCC[C@H]([NH2+][C@@H](C)CC[NH+](CC)CC)C(N)=O ZINC001255950302 970564122 /nfs/dbraw/zinc/56/41/22/970564122.db2.gz HDGKZWBPQBETQA-RYUDHWBXSA-N 2 1 243.395 1.350 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CC)CCC(N)=O ZINC001255961111 970603930 /nfs/dbraw/zinc/60/39/30/970603930.db2.gz KQBZINLEVMFDDS-LBPRGKRZSA-N 2 1 243.395 1.304 20 0 BDADMP C1CC1[NH+]1CCC([NH2+]C2CC3(COC3)C2)CC1 ZINC001256068147 970633994 /nfs/dbraw/zinc/63/39/94/970633994.db2.gz YGGMTPQJVZIHEE-UHFFFAOYSA-N 2 1 236.359 1.382 20 0 BDADMP C[C@@]1(O)CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076095 970646149 /nfs/dbraw/zinc/64/61/49/970646149.db2.gz UGJZKQJRGMPXBA-CYBMUJFWSA-N 2 1 224.348 1.070 20 0 BDADMP C[C@@]1(O)CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076095 970646156 /nfs/dbraw/zinc/64/61/56/970646156.db2.gz UGJZKQJRGMPXBA-CYBMUJFWSA-N 2 1 224.348 1.070 20 0 BDADMP C1CC1[NH+]1CCC([N@@H+]2CCC3(COC3)C2)CC1 ZINC001256075857 970647962 /nfs/dbraw/zinc/64/79/62/970647962.db2.gz SWDDRXXPUVEGBK-UHFFFAOYSA-N 2 1 236.359 1.336 20 0 BDADMP C1CC1[NH+]1CCC([N@H+]2CCC3(COC3)C2)CC1 ZINC001256075857 970647965 /nfs/dbraw/zinc/64/79/65/970647965.db2.gz SWDDRXXPUVEGBK-UHFFFAOYSA-N 2 1 236.359 1.336 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H](CO)c2ccccc2)CC1 ZINC001256201746 970694803 /nfs/dbraw/zinc/69/48/03/970694803.db2.gz MJCNJRJJDPTBBD-AWEZNQCLSA-N 2 1 248.370 1.446 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCc3ncccc32)CC1 ZINC001256200349 970695514 /nfs/dbraw/zinc/69/55/14/970695514.db2.gz SBVLAMBIIXWVNM-AWEZNQCLSA-N 2 1 231.343 1.753 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2C[C@]23CCCOC3)CC1 ZINC001256201873 970697313 /nfs/dbraw/zinc/69/73/13/970697313.db2.gz RKYPEBKTYPEQTM-STQMWFEESA-N 2 1 224.348 1.239 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@]23CCCOC3)CC1 ZINC001256201869 970698322 /nfs/dbraw/zinc/69/83/22/970698322.db2.gz RKYPEBKTYPEQTM-CHWSQXEVSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246546563 972646000 /nfs/dbraw/zinc/64/60/00/972646000.db2.gz NBVBBPXALHFJMR-HPCHECBXSA-N 2 1 237.391 1.423 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550978 972725656 /nfs/dbraw/zinc/72/56/56/972725656.db2.gz ZOHNJRWPGCCYDB-QWHCGFSZSA-N 2 1 225.380 1.284 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550978 972725667 /nfs/dbraw/zinc/72/56/67/972725667.db2.gz ZOHNJRWPGCCYDB-QWHCGFSZSA-N 3 1 225.380 1.284 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550978 972725672 /nfs/dbraw/zinc/72/56/72/972725672.db2.gz ZOHNJRWPGCCYDB-QWHCGFSZSA-N 3 1 225.380 1.284 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550978 972725681 /nfs/dbraw/zinc/72/56/81/972725681.db2.gz ZOHNJRWPGCCYDB-QWHCGFSZSA-N 3 1 225.380 1.284 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550978 972725689 /nfs/dbraw/zinc/72/56/89/972725689.db2.gz ZOHNJRWPGCCYDB-QWHCGFSZSA-N 3 1 225.380 1.284 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246551678 972730138 /nfs/dbraw/zinc/73/01/38/972730138.db2.gz UPLQYQBFSFEGRR-MGPQQGTHSA-N 3 1 241.423 1.918 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246551678 972730153 /nfs/dbraw/zinc/73/01/53/972730153.db2.gz UPLQYQBFSFEGRR-MGPQQGTHSA-N 2 1 241.423 1.918 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246551678 972730167 /nfs/dbraw/zinc/73/01/67/972730167.db2.gz UPLQYQBFSFEGRR-MGPQQGTHSA-N 2 1 241.423 1.918 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246551678 972730179 /nfs/dbraw/zinc/73/01/79/972730179.db2.gz UPLQYQBFSFEGRR-MGPQQGTHSA-N 2 1 241.423 1.918 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCSC2)CCC1(F)F ZINC001246559965 972785882 /nfs/dbraw/zinc/78/58/82/972785882.db2.gz OIKCSATXQAZZKT-RKDXNWHRSA-N 2 1 236.331 1.408 20 0 BDADMP CSCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000390641148 972798425 /nfs/dbraw/zinc/79/84/25/972798425.db2.gz MXGDQUMHYPHFBP-ZYHUDNBSSA-N 2 1 246.420 1.173 20 0 BDADMP CSCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390641148 972798438 /nfs/dbraw/zinc/79/84/38/972798438.db2.gz MXGDQUMHYPHFBP-ZYHUDNBSSA-N 2 1 246.420 1.173 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@H+](C2CCSCC2)C1 ZINC001246565251 972807205 /nfs/dbraw/zinc/80/72/05/972807205.db2.gz YNYCRTYLUBDDGU-LBPRGKRZSA-N 2 1 244.404 1.058 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCCOC2)CC1 ZINC001246577902 972892930 /nfs/dbraw/zinc/89/29/30/972892930.db2.gz QRLGLQOWLTVIHR-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579277 972916327 /nfs/dbraw/zinc/91/63/27/972916327.db2.gz UAQNBBQHRXTQQA-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246599663 973020233 /nfs/dbraw/zinc/02/02/33/973020233.db2.gz PSYGMPVMUKIGHC-NSHDSACASA-N 2 1 219.332 1.293 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246604642 973024727 /nfs/dbraw/zinc/02/47/27/973024727.db2.gz HYAOMXZWLVQXPQ-UONOGXRCSA-N 3 1 239.407 1.593 20 0 BDADMP C[NH2+]CC[C@H](C)N1CCC[C@@]12CCC[NH2+]CC2 ZINC001246604642 973024734 /nfs/dbraw/zinc/02/47/34/973024734.db2.gz HYAOMXZWLVQXPQ-UONOGXRCSA-N 2 1 239.407 1.593 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246609288 973032518 /nfs/dbraw/zinc/03/25/18/973032518.db2.gz MDEYIGRBUHEFTA-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246609288 973032534 /nfs/dbraw/zinc/03/25/34/973032534.db2.gz MDEYIGRBUHEFTA-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP C1[C@@H]2[C@H]1NCC[N@@H+]2C1CCC2(CCC[NH2+]C2)CC1 ZINC001246661240 973075587 /nfs/dbraw/zinc/07/55/87/973075587.db2.gz KOVPWMKCACQRGC-RAFNIBEQSA-N 2 1 249.402 1.345 20 0 BDADMP C1[C@@H]2[C@H]1[NH2+]CCN2C1CCC2(CCC[NH2+]C2)CC1 ZINC001246661240 973075595 /nfs/dbraw/zinc/07/55/95/973075595.db2.gz KOVPWMKCACQRGC-RAFNIBEQSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCO3)C2)CC[NH2+]1 ZINC001246828664 973123001 /nfs/dbraw/zinc/12/30/01/973123001.db2.gz FMZWIVPRJVBWCH-FRRDWIJNSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C[C@@H](C)O1 ZINC001246858650 973166736 /nfs/dbraw/zinc/16/67/36/973166736.db2.gz GNHJFQYOKFZUQV-DCQANWLSSA-N 2 1 224.348 1.366 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC[NH2+]1 ZINC001246857752 973169074 /nfs/dbraw/zinc/16/90/74/973169074.db2.gz BRJPVOBUMMIXQE-CRWXNKLISA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC[NH2+]1 ZINC001246857752 973169089 /nfs/dbraw/zinc/16/90/89/973169089.db2.gz BRJPVOBUMMIXQE-CRWXNKLISA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246858353 973172725 /nfs/dbraw/zinc/17/27/25/973172725.db2.gz FWNSZZWMHLWQEO-VOAKCMCISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246858353 973172741 /nfs/dbraw/zinc/17/27/41/973172741.db2.gz FWNSZZWMHLWQEO-VOAKCMCISA-N 2 1 224.348 1.095 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856496 973172966 /nfs/dbraw/zinc/17/29/66/973172966.db2.gz XMRJGNRZFYUJAY-DYEKYZERSA-N 3 1 235.375 1.084 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856496 973172979 /nfs/dbraw/zinc/17/29/79/973172979.db2.gz XMRJGNRZFYUJAY-DYEKYZERSA-N 3 1 235.375 1.084 20 0 BDADMP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603286 973181963 /nfs/dbraw/zinc/18/19/63/973181963.db2.gz WOQIEYJWGLFCRQ-RYUDHWBXSA-N 2 1 243.395 1.219 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC001246870753 973252859 /nfs/dbraw/zinc/25/28/59/973252859.db2.gz OWNNTWJTNCUOIA-TZMCWYRMSA-N 2 1 214.312 1.187 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC001246870753 973252884 /nfs/dbraw/zinc/25/28/84/973252884.db2.gz OWNNTWJTNCUOIA-TZMCWYRMSA-N 2 1 214.312 1.187 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[NH2+]1 ZINC001246875150 973272350 /nfs/dbraw/zinc/27/23/50/973272350.db2.gz XQPBCQDUYOSPGS-OOCWMUITSA-N 2 1 212.312 1.274 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)cn1 ZINC001330199283 973317119 /nfs/dbraw/zinc/31/71/19/973317119.db2.gz TTXDZMJUVVVADE-WCQYABFASA-N 2 1 249.358 1.220 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1CCC[NH2+]C1 ZINC000720891289 973379013 /nfs/dbraw/zinc/37/90/13/973379013.db2.gz DZMJXKMQTVSACY-BFHYXJOUSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC[NH2+]C1 ZINC000720891289 973379020 /nfs/dbraw/zinc/37/90/20/973379020.db2.gz DZMJXKMQTVSACY-BFHYXJOUSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCC[NH2+]C1 ZINC000720891289 973379029 /nfs/dbraw/zinc/37/90/29/973379029.db2.gz DZMJXKMQTVSACY-BFHYXJOUSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1CC[C@H](N2C[C@H]3[C@H](C2)CCC[N@H+]3C)C[NH2+]1 ZINC001246921710 973497942 /nfs/dbraw/zinc/49/79/42/973497942.db2.gz VFSMGQQOWQGLAR-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+]1CCC(CO[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001224454768 973659078 /nfs/dbraw/zinc/65/90/78/973659078.db2.gz ROUFTIKQGBVGCH-ZDUSSCGKSA-N 2 1 249.358 1.556 20 0 BDADMP CC[N@H+]1CCC[C@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224704610 973875547 /nfs/dbraw/zinc/87/55/47/973875547.db2.gz BFEMNGPQMXGTKO-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC[C@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224704610 973875554 /nfs/dbraw/zinc/87/55/54/973875554.db2.gz BFEMNGPQMXGTKO-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC[C@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224704610 973875559 /nfs/dbraw/zinc/87/55/59/973875559.db2.gz BFEMNGPQMXGTKO-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cc(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)cc(C)[nH+]1 ZINC001329939837 974046356 /nfs/dbraw/zinc/04/63/56/974046356.db2.gz VZNBIMQUUWJUKJ-GHMZBOCLSA-N 2 1 248.330 1.074 20 0 BDADMP Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@@H]([NH3+])C1)C2 ZINC001171550859 974095315 /nfs/dbraw/zinc/09/53/15/974095315.db2.gz LXZYVJGGPBHNKG-KGLIPLIRSA-N 2 1 230.355 1.885 20 0 BDADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@H]([NH3+])C1)C2 ZINC001171550859 974095325 /nfs/dbraw/zinc/09/53/25/974095325.db2.gz LXZYVJGGPBHNKG-KGLIPLIRSA-N 2 1 230.355 1.885 20 0 BDADMP CC[N@H+]1CCC[C@H](OCCCC[NH+](C)C)C1 ZINC001224991290 974123513 /nfs/dbraw/zinc/12/35/13/974123513.db2.gz QLLZRCRAKWMGAZ-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171784120 974174314 /nfs/dbraw/zinc/17/43/14/974174314.db2.gz XAZUNZGMRPQENI-ZYHUDNBSSA-N 2 1 236.334 1.820 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC[C@@H]1F ZINC001206156218 974336535 /nfs/dbraw/zinc/33/65/35/974336535.db2.gz ORDZVKMPJTZBGO-ZUWCUPBKSA-N 2 1 238.350 1.960 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC[C@@H]1F ZINC001206156218 974336546 /nfs/dbraw/zinc/33/65/46/974336546.db2.gz ORDZVKMPJTZBGO-ZUWCUPBKSA-N 2 1 238.350 1.960 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099101 974340086 /nfs/dbraw/zinc/34/00/86/974340086.db2.gz FHRCOVYSEWPSMJ-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099101 974340092 /nfs/dbraw/zinc/34/00/92/974340092.db2.gz FHRCOVYSEWPSMJ-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100482 974347218 /nfs/dbraw/zinc/34/72/18/974347218.db2.gz RGHTWCDQEWJELE-NJMOYASZSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100482 974347224 /nfs/dbraw/zinc/34/72/24/974347224.db2.gz RGHTWCDQEWJELE-NJMOYASZSA-N 2 1 208.349 2.000 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+]3CC[C@@H]3C1)C2 ZINC001172133619 974357836 /nfs/dbraw/zinc/35/78/36/974357836.db2.gz UAGREEMBGVHSPQ-BARDWOONSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@@H+]3CC[C@@H]3C1)C2 ZINC001172133619 974357845 /nfs/dbraw/zinc/35/78/45/974357845.db2.gz UAGREEMBGVHSPQ-BARDWOONSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@H+]3CC[C@@H]3C1)C2 ZINC001172133619 974357858 /nfs/dbraw/zinc/35/78/58/974357858.db2.gz UAGREEMBGVHSPQ-BARDWOONSA-N 2 1 249.402 1.392 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103751 974363894 /nfs/dbraw/zinc/36/38/94/974363894.db2.gz XKLOFHMZWKHTNX-LPWJVIDDSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103751 974363901 /nfs/dbraw/zinc/36/39/01/974363901.db2.gz XKLOFHMZWKHTNX-LPWJVIDDSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001172107564 974364861 /nfs/dbraw/zinc/36/48/61/974364861.db2.gz ICEJZIUWLYKGDN-XDQVBPFNSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)C2 ZINC001172108005 974367436 /nfs/dbraw/zinc/36/74/36/974367436.db2.gz NKLGYSNDRFPFJO-VJUFMGLXSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(CO)C1)C2 ZINC001172108049 974369022 /nfs/dbraw/zinc/36/90/22/974369022.db2.gz OLXUUFVPSQGEGD-MOIJGLSHSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(CO)C1)C2 ZINC001172108049 974369028 /nfs/dbraw/zinc/36/90/28/974369028.db2.gz OLXUUFVPSQGEGD-MOIJGLSHSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH3+])cn1)C2 ZINC001172106035 974369780 /nfs/dbraw/zinc/36/97/80/974369780.db2.gz MOCOMONQAKBCFW-WDNDVIMCSA-N 2 1 248.374 1.572 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001172108829 974371925 /nfs/dbraw/zinc/37/19/25/974371925.db2.gz ZVQGZVJQMBKEEN-ZAEXQNMVSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001172108829 974371933 /nfs/dbraw/zinc/37/19/33/974371933.db2.gz ZVQGZVJQMBKEEN-ZAEXQNMVSA-N 2 1 238.375 1.505 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)O ZINC001172110325 974372159 /nfs/dbraw/zinc/37/21/59/974372159.db2.gz LGBKPQOJPODDRD-LPWJVIDDSA-N 2 1 240.391 1.751 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)O ZINC001172110325 974372165 /nfs/dbraw/zinc/37/21/65/974372165.db2.gz LGBKPQOJPODDRD-LPWJVIDDSA-N 2 1 240.391 1.751 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)C1CC1)C2 ZINC001172115905 974385610 /nfs/dbraw/zinc/38/56/10/974385610.db2.gz WBZIMDXADPNSOR-CRWXNKLISA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121034 974392089 /nfs/dbraw/zinc/39/20/89/974392089.db2.gz ODSDQOGAHLNEAA-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121034 974392099 /nfs/dbraw/zinc/39/20/99/974392099.db2.gz ODSDQOGAHLNEAA-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121034 974392107 /nfs/dbraw/zinc/39/21/07/974392107.db2.gz ODSDQOGAHLNEAA-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121034 974392116 /nfs/dbraw/zinc/39/21/16/974392116.db2.gz ODSDQOGAHLNEAA-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP CCOCC[C@@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172406040 974660557 /nfs/dbraw/zinc/66/05/57/974660557.db2.gz GEXHZOQDUZBPKO-SNVBAGLBSA-N 2 1 211.309 1.372 20 0 BDADMP CCOCC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172416988 974688617 /nfs/dbraw/zinc/68/86/17/974688617.db2.gz PWOIAANSGRBXCB-QWRGUYRKSA-N 2 1 202.342 1.328 20 0 BDADMP CCOCC[C@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001172424084 974699229 /nfs/dbraw/zinc/69/92/29/974699229.db2.gz PDOBKBSRFXYBOA-LBPRGKRZSA-N 2 1 216.369 1.685 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172433627 974720243 /nfs/dbraw/zinc/72/02/43/974720243.db2.gz KDXSVALMNKOVIW-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172434943 974742690 /nfs/dbraw/zinc/74/26/90/974742690.db2.gz WBUYIGOWMZLDEK-SNVBAGLBSA-N 2 1 202.342 1.517 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1F ZINC001206167430 974887441 /nfs/dbraw/zinc/88/74/41/974887441.db2.gz YRSQEHKDABKONA-WDEREUQCSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1F ZINC001206167430 974887443 /nfs/dbraw/zinc/88/74/43/974887443.db2.gz YRSQEHKDABKONA-WDEREUQCSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccn2)CC[C@@H]1F ZINC001206167494 974888005 /nfs/dbraw/zinc/88/80/05/974888005.db2.gz ZHUHBQIEUXXPNH-NWDGAFQWSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccn2)CC[C@@H]1F ZINC001206167494 974888010 /nfs/dbraw/zinc/88/80/10/974888010.db2.gz ZHUHBQIEUXXPNH-NWDGAFQWSA-N 2 1 223.295 1.343 20 0 BDADMP CC1(C)CC([NH2+]C2(C[NH3+])CC2)CC(C)(C)O1 ZINC001172655269 974897442 /nfs/dbraw/zinc/89/74/42/974897442.db2.gz UCMPCOQLBNUUNS-UHFFFAOYSA-N 2 1 226.364 1.804 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001172768638 974935448 /nfs/dbraw/zinc/93/54/48/974935448.db2.gz VRLRSDLNGORVKN-IJLUTSLNSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001172768638 974935452 /nfs/dbraw/zinc/93/54/52/974935452.db2.gz VRLRSDLNGORVKN-IJLUTSLNSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC(C)(C)[NH3+] ZINC001332054462 974936256 /nfs/dbraw/zinc/93/62/56/974936256.db2.gz HUIYBAICSVRSJX-PHIMTYICSA-N 2 1 241.379 1.103 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(C[NH3+])CC2)CC1 ZINC001172777978 974938296 /nfs/dbraw/zinc/93/82/96/974938296.db2.gz DFPKNIJTISIKBA-GHMZBOCLSA-N 2 1 240.347 1.189 20 0 BDADMP CO[C@@H]1CCC[C@@H](n2c(C)c[nH+]c2CC[NH3+])C1 ZINC001172915052 974961762 /nfs/dbraw/zinc/96/17/62/974961762.db2.gz BHBHJMBYBUUXOP-VXGBXAGGSA-N 2 1 237.347 1.823 20 0 BDADMP CO[C@H]1CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001172929563 974978123 /nfs/dbraw/zinc/97/81/23/974978123.db2.gz FYCBPKSZHFBJAL-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188891 975019768 /nfs/dbraw/zinc/01/97/68/975019768.db2.gz WBOUXGPAPJXFQE-QWHCGFSZSA-N 2 1 237.322 1.530 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188891 975019776 /nfs/dbraw/zinc/01/97/76/975019776.db2.gz WBOUXGPAPJXFQE-QWHCGFSZSA-N 2 1 237.322 1.530 20 0 BDADMP [NH3+]CC1([NH2+][C@@H]2CCc3ncsc3C2)CC1 ZINC001173132424 975042571 /nfs/dbraw/zinc/04/25/71/975042571.db2.gz QIWTVWVVLZZIHC-MRVPVSSYSA-N 2 1 223.345 1.081 20 0 BDADMP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001173264389 975125308 /nfs/dbraw/zinc/12/53/08/975125308.db2.gz SEGUEISRFOPIRV-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001173352055 975300500 /nfs/dbraw/zinc/30/05/00/975300500.db2.gz DZVPLOLRTDVTKB-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001173352055 975300504 /nfs/dbraw/zinc/30/05/04/975300504.db2.gz DZVPLOLRTDVTKB-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001173352055 975300509 /nfs/dbraw/zinc/30/05/09/975300509.db2.gz DZVPLOLRTDVTKB-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001173352055 975300514 /nfs/dbraw/zinc/30/05/14/975300514.db2.gz DZVPLOLRTDVTKB-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001173352889 975301859 /nfs/dbraw/zinc/30/18/59/975301859.db2.gz YNCAJBMOCHARLB-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001173352889 975301865 /nfs/dbraw/zinc/30/18/65/975301865.db2.gz YNCAJBMOCHARLB-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001173352889 975301869 /nfs/dbraw/zinc/30/18/69/975301869.db2.gz YNCAJBMOCHARLB-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001173352889 975301873 /nfs/dbraw/zinc/30/18/73/975301873.db2.gz YNCAJBMOCHARLB-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001173352889 975301881 /nfs/dbraw/zinc/30/18/81/975301881.db2.gz YNCAJBMOCHARLB-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP CCCC[NH+]1CCN([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001173365458 975344367 /nfs/dbraw/zinc/34/43/67/975344367.db2.gz IIXOAIOJORQWIL-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[C@H]2C[NH+](C)C)C1 ZINC001173366020 975344883 /nfs/dbraw/zinc/34/48/83/975344883.db2.gz VFJBBGBGELAYQI-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2cccc(C[NH2+]C)c2)C1 ZINC001173371162 975357465 /nfs/dbraw/zinc/35/74/65/975357465.db2.gz KRPFWQLJKPLFIX-CQSZACIVSA-N 2 1 233.359 1.912 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2(C)C)C1 ZINC001173374844 975363684 /nfs/dbraw/zinc/36/36/84/975363684.db2.gz OWAJEZKVUMNRFY-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@H+](CC)CC2(C)C)C1 ZINC001173374844 975363692 /nfs/dbraw/zinc/36/36/92/975363692.db2.gz OWAJEZKVUMNRFY-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@@H+](CC)CC2(C)C)C1 ZINC001173374844 975363700 /nfs/dbraw/zinc/36/37/00/975363700.db2.gz OWAJEZKVUMNRFY-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)C1 ZINC001334356247 976466036 /nfs/dbraw/zinc/46/60/36/976466036.db2.gz VUJNVESIQYZUBZ-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@H]2CCc3cn[nH]c3C2)CC1 ZINC001334982394 976813150 /nfs/dbraw/zinc/81/31/50/976813150.db2.gz ODCLHLSLFFHXFU-ZDUSSCGKSA-N 2 1 248.374 1.198 20 0 BDADMP CC(=O)Nc1cc(Nc2cc[nH+]cc2C)cc[nH+]1 ZINC001174535934 976813596 /nfs/dbraw/zinc/81/35/96/976813596.db2.gz CYFKKENXGDMXCU-UHFFFAOYSA-N 2 1 242.282 1.909 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001335288894 976929007 /nfs/dbraw/zinc/92/90/07/976929007.db2.gz JJSNBIUMPPIXPM-JOYOIKCWSA-N 2 1 236.363 1.443 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335428041 977053363 /nfs/dbraw/zinc/05/33/63/977053363.db2.gz ATQFONHLUXGEKY-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001335465598 977074252 /nfs/dbraw/zinc/07/42/52/977074252.db2.gz KJTXKLZABBCQBB-JBLDHEPKSA-N 2 1 228.336 1.010 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001335465598 977074259 /nfs/dbraw/zinc/07/42/59/977074259.db2.gz KJTXKLZABBCQBB-JBLDHEPKSA-N 2 1 228.336 1.010 20 0 BDADMP C[NH+]1CCC(Oc2ccc3[nH+]c(N)[nH]c3c2)CC1 ZINC001230508001 977227327 /nfs/dbraw/zinc/22/73/27/977227327.db2.gz RCHIRHKAEBWYKU-UHFFFAOYSA-N 2 1 246.314 1.618 20 0 BDADMP CC[C@@H](C)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070173 977257070 /nfs/dbraw/zinc/25/70/70/977257070.db2.gz LIJODDKFWIIBLA-KVSVUVNWSA-N 2 1 210.365 1.913 20 0 BDADMP CC[C@@H](C)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070173 977257082 /nfs/dbraw/zinc/25/70/82/977257082.db2.gz LIJODDKFWIIBLA-KVSVUVNWSA-N 2 1 210.365 1.913 20 0 BDADMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CC2)C12CCC2 ZINC001336051180 977455643 /nfs/dbraw/zinc/45/56/43/977455643.db2.gz NHDZLLOVCRIHIN-YNEHKIRRSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001336050914 977457320 /nfs/dbraw/zinc/45/73/20/977457320.db2.gz JVFKTBTWERHXDG-YFKTTZPYSA-N 2 1 226.364 1.218 20 0 BDADMP C[C@]1(C2CC2)COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001336096232 977498583 /nfs/dbraw/zinc/49/85/83/977498583.db2.gz RAYKXPDMHKYOHT-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@]1(C2CC2)COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001336096232 977498602 /nfs/dbraw/zinc/49/86/02/977498602.db2.gz RAYKXPDMHKYOHT-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+]1CCC=C(n2c(N)[nH+]c3ccccc32)C1 ZINC001175574206 977571857 /nfs/dbraw/zinc/57/18/57/977571857.db2.gz PYDCMBZFJOOPSC-UHFFFAOYSA-N 2 1 228.299 1.795 20 0 BDADMP C[N@H+]1CCC=C(n2c(N)[nH+]c3ccccc32)C1 ZINC001175574206 977571860 /nfs/dbraw/zinc/57/18/60/977571860.db2.gz PYDCMBZFJOOPSC-UHFFFAOYSA-N 2 1 228.299 1.795 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N)ncn2)C1 ZINC001336373667 977647177 /nfs/dbraw/zinc/64/71/77/977647177.db2.gz SGIKCBMRQOBMMF-NSHDSACASA-N 2 1 249.362 1.227 20 0 BDADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc(N)[nH+]cn2)C1 ZINC001336373667 977647181 /nfs/dbraw/zinc/64/71/81/977647181.db2.gz SGIKCBMRQOBMMF-NSHDSACASA-N 2 1 249.362 1.227 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N)[nH+]cn2)C1 ZINC001336373667 977647191 /nfs/dbraw/zinc/64/71/91/977647191.db2.gz SGIKCBMRQOBMMF-NSHDSACASA-N 2 1 249.362 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001232011009 977839295 /nfs/dbraw/zinc/83/92/95/977839295.db2.gz FZLLFBZGRDSTOG-QMTHXVAHSA-N 2 1 245.326 1.766 20 0 BDADMP C[C@@]1(CO)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012288 977840222 /nfs/dbraw/zinc/84/02/22/977840222.db2.gz YBPJBGZJPNJXKA-CQSZACIVSA-N 2 1 245.326 1.767 20 0 BDADMP C[N@H+]1CCc2ncc(Nc3[nH]cc[nH+]3)cc2C1 ZINC001176079518 977874121 /nfs/dbraw/zinc/87/41/21/977874121.db2.gz IVOYULNGCMYMSM-UHFFFAOYSA-N 2 1 229.287 1.536 20 0 BDADMP COC1(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)CCC1 ZINC001336754317 977921646 /nfs/dbraw/zinc/92/16/46/977921646.db2.gz IDOCFIQXHOBKCS-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)CCC1 ZINC001336754317 977921654 /nfs/dbraw/zinc/92/16/54/977921654.db2.gz IDOCFIQXHOBKCS-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC001336754317 977921666 /nfs/dbraw/zinc/92/16/66/977921666.db2.gz IDOCFIQXHOBKCS-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC001336754317 977921674 /nfs/dbraw/zinc/92/16/74/977921674.db2.gz IDOCFIQXHOBKCS-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232360187 978038694 /nfs/dbraw/zinc/03/86/94/978038694.db2.gz CGHIBBHPWOEWAT-UHFFFAOYSA-N 2 1 248.374 1.285 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)[nH]1 ZINC001232463753 978112162 /nfs/dbraw/zinc/11/21/62/978112162.db2.gz MLNYFHQZCIGHPP-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c[nH]1 ZINC001232463753 978112172 /nfs/dbraw/zinc/11/21/72/978112172.db2.gz MLNYFHQZCIGHPP-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c[nH]1 ZINC001232463753 978112175 /nfs/dbraw/zinc/11/21/75/978112175.db2.gz MLNYFHQZCIGHPP-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001177542869 978394376 /nfs/dbraw/zinc/39/43/76/978394376.db2.gz VLMMCFUVXKJFNA-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP c1cc(N2CCC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC001337655038 978443516 /nfs/dbraw/zinc/44/35/16/978443516.db2.gz NQZHJQXJDSUTHA-CYBMUJFWSA-N 2 1 217.316 1.756 20 0 BDADMP C[N@@H+](CCCO)C1CCN(c2cc[nH+]cc2)CC1 ZINC001337694521 978462990 /nfs/dbraw/zinc/46/29/90/978462990.db2.gz KBEMHIQHDKMTEL-UHFFFAOYSA-N 2 1 249.358 1.365 20 0 BDADMP Cc1ncc(CN2CCCC[C@@](F)(C[NH3+])C2)[nH]1 ZINC001206361778 978659275 /nfs/dbraw/zinc/65/92/75/978659275.db2.gz KWGWDNWTYCHSOY-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP CC(C)[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C ZINC001339472289 978857562 /nfs/dbraw/zinc/85/75/62/978857562.db2.gz MGLWFMYCHXGYDH-CYBMUJFWSA-N 2 1 219.332 1.858 20 0 BDADMP C(C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC001235052499 978965149 /nfs/dbraw/zinc/96/51/49/978965149.db2.gz GLKAOAWGPMZCDR-AWEZNQCLSA-N 2 1 237.391 1.204 20 0 BDADMP C(C1CCSCC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235076986 978971962 /nfs/dbraw/zinc/97/19/62/978971962.db2.gz ORPFVPVEOGJIEI-VXGBXAGGSA-N 2 1 226.389 1.566 20 0 BDADMP C(C1CCSCC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235076986 978971964 /nfs/dbraw/zinc/97/19/64/978971964.db2.gz ORPFVPVEOGJIEI-VXGBXAGGSA-N 2 1 226.389 1.566 20 0 BDADMP C[NH2+]CCCN1CCC2(CC[NH2+]CC2)CC1 ZINC001235136278 978980916 /nfs/dbraw/zinc/98/09/16/978980916.db2.gz VVKSJQYLMJIBLV-UHFFFAOYSA-N 2 1 225.380 1.062 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169684 978987581 /nfs/dbraw/zinc/98/75/81/978987581.db2.gz CAUAVWSVEDQCSE-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169684 978987585 /nfs/dbraw/zinc/98/75/85/978987585.db2.gz CAUAVWSVEDQCSE-ZDUSSCGKSA-N 2 1 225.380 1.333 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CCN(Cc1[nH+]cc3ccccn31)C2 ZINC001235166687 978987684 /nfs/dbraw/zinc/98/76/84/978987684.db2.gz VRPJJJYOUIWOIY-SMDDNHRTSA-N 2 1 242.326 1.257 20 0 BDADMP OCCCCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172904 978990902 /nfs/dbraw/zinc/99/09/02/978990902.db2.gz MPZCEUATSOOSKM-AWEZNQCLSA-N 2 1 240.391 1.757 20 0 BDADMP c1nc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c[nH]1 ZINC001235229456 979000280 /nfs/dbraw/zinc/00/02/80/979000280.db2.gz MNRMFERZRLTLNB-AWEZNQCLSA-N 2 1 248.374 1.764 20 0 BDADMP OCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235425518 979043315 /nfs/dbraw/zinc/04/33/15/979043315.db2.gz LNCYBYFGUCQWMS-UONOGXRCSA-N 2 1 240.391 1.471 20 0 BDADMP CN1CC[N@@H+](CCCC[NH3+])C[C@H]1c1ccccc1 ZINC001235675365 979113265 /nfs/dbraw/zinc/11/32/65/979113265.db2.gz WTGLGOKGAZTSSA-HNNXBMFYSA-N 2 1 247.386 1.714 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2C3CCC2CC3)O1 ZINC001235754413 979143426 /nfs/dbraw/zinc/14/34/26/979143426.db2.gz MSJFXVNZDUKSCT-ILDUYXDCSA-N 2 1 210.321 1.338 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235858871 979172417 /nfs/dbraw/zinc/17/24/17/979172417.db2.gz JQRSOSVCRBYGLG-OAHLLOKOSA-N 2 1 247.386 1.762 20 0 BDADMP [NH3+]CCCCCN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235858871 979172421 /nfs/dbraw/zinc/17/24/21/979172421.db2.gz JQRSOSVCRBYGLG-OAHLLOKOSA-N 2 1 247.386 1.762 20 0 BDADMP COC(=O)[C@@]1(C)CCC[N@@H+](CCCC[NH3+])C1 ZINC001235887095 979181435 /nfs/dbraw/zinc/18/14/35/979181435.db2.gz GXNCCVDSWWFCLD-LBPRGKRZSA-N 2 1 228.336 1.000 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235925863 979207162 /nfs/dbraw/zinc/20/71/62/979207162.db2.gz QCHWHZVAUHOUFG-HNNXBMFYSA-N 3 1 245.370 1.603 20 0 BDADMP [NH3+]CC[C@@H]1CCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001235925863 979207167 /nfs/dbraw/zinc/20/71/67/979207167.db2.gz QCHWHZVAUHOUFG-HNNXBMFYSA-N 2 1 245.370 1.603 20 0 BDADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC001235960022 979225195 /nfs/dbraw/zinc/22/51/95/979225195.db2.gz RYFWQCPYNKYDLG-BTTYYORXSA-N 3 1 237.391 1.045 20 0 BDADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(CCC1CC[NH2+]CC1)C2 ZINC001235960022 979225201 /nfs/dbraw/zinc/22/52/01/979225201.db2.gz RYFWQCPYNKYDLG-BTTYYORXSA-N 2 1 237.391 1.045 20 0 BDADMP Cc1cc2c(cn1)C[N@H+](CCCC[NH3+])C2 ZINC001235964100 979233666 /nfs/dbraw/zinc/23/36/66/979233666.db2.gz ZDVZXMUIENXWMN-UHFFFAOYSA-N 2 1 205.305 1.445 20 0 BDADMP Cc1cc2c(cn1)C[N@@H+](CCCC[NH3+])C2 ZINC001235964100 979233677 /nfs/dbraw/zinc/23/36/77/979233677.db2.gz ZDVZXMUIENXWMN-UHFFFAOYSA-N 2 1 205.305 1.445 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CC1Cc3ccccc3C1)C2 ZINC001235976993 979241739 /nfs/dbraw/zinc/24/17/39/979241739.db2.gz DTBYRWSXZQNMCH-CVEARBPZSA-N 2 1 242.366 1.825 20 0 BDADMP CSCCC[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235977490 979242404 /nfs/dbraw/zinc/24/24/04/979242404.db2.gz GUQAHRHJFNFKOS-UWVGGRQHSA-N 2 1 200.351 1.163 20 0 BDADMP CSCCC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235977490 979242412 /nfs/dbraw/zinc/24/24/12/979242412.db2.gz GUQAHRHJFNFKOS-UWVGGRQHSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001235980937 979243576 /nfs/dbraw/zinc/24/35/76/979243576.db2.gz SKCRGWXIKKIMHC-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCc1ccccc1)C2 ZINC001235979922 979248537 /nfs/dbraw/zinc/24/85/37/979248537.db2.gz OGZJPHMCEQNCEG-ZIAGYGMSSA-N 2 1 216.328 1.652 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCc1ccccc1)C2 ZINC001235979922 979248553 /nfs/dbraw/zinc/24/85/53/979248553.db2.gz OGZJPHMCEQNCEG-ZIAGYGMSSA-N 2 1 216.328 1.652 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979948 979249210 /nfs/dbraw/zinc/24/92/10/979249210.db2.gz OTYZCYZXWTVJLR-KGLIPLIRSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979948 979249224 /nfs/dbraw/zinc/24/92/24/979249224.db2.gz OTYZCYZXWTVJLR-KGLIPLIRSA-N 3 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979614 979251941 /nfs/dbraw/zinc/25/19/41/979251941.db2.gz NSAATXPBAFLOMY-UONOGXRCSA-N 3 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(CN2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979614 979251955 /nfs/dbraw/zinc/25/19/55/979251955.db2.gz NSAATXPBAFLOMY-UONOGXRCSA-N 2 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001235979614 979251962 /nfs/dbraw/zinc/25/19/62/979251962.db2.gz NSAATXPBAFLOMY-UONOGXRCSA-N 2 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CC[C@@]3(N)C2)CC1 ZINC001235979614 979251971 /nfs/dbraw/zinc/25/19/71/979251971.db2.gz NSAATXPBAFLOMY-UONOGXRCSA-N 2 1 237.391 1.141 20 0 BDADMP CC/C=C\CCC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235991046 979281330 /nfs/dbraw/zinc/28/13/30/979281330.db2.gz FUIWOAGSAGMULG-DOZMVNBESA-N 2 1 238.375 1.638 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc3c1CCN3)C2 ZINC001235996365 979289538 /nfs/dbraw/zinc/28/95/38/979289538.db2.gz XHSLSAGDRSZMDR-DOMZBBRYSA-N 2 1 243.354 1.578 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc3c1CCN3)C2 ZINC001235996365 979289553 /nfs/dbraw/zinc/28/95/53/979289553.db2.gz XHSLSAGDRSZMDR-DOMZBBRYSA-N 2 1 243.354 1.578 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001236019712 979310220 /nfs/dbraw/zinc/31/02/20/979310220.db2.gz ZRLIYHLOWOGQEE-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001236019712 979310231 /nfs/dbraw/zinc/31/02/31/979310231.db2.gz ZRLIYHLOWOGQEE-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP CCOC(=O)[C@H]1CCCC[N@@H+](CCCC[NH3+])C1 ZINC001236038505 979332834 /nfs/dbraw/zinc/33/28/34/979332834.db2.gz QGDUMTFHYAXUPX-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCC(=O)c1cccs1 ZINC001236103013 979387859 /nfs/dbraw/zinc/38/78/59/979387859.db2.gz TWENYFLDTPFPRQ-UHFFFAOYSA-N 2 1 240.372 1.992 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CCC12CC([NH3+])(C1)C2 ZINC001236131592 979402867 /nfs/dbraw/zinc/40/28/67/979402867.db2.gz CPRFJMXJJJTYCZ-IYXRBSQSSA-N 2 1 237.391 1.332 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CCC12CC([NH3+])(C1)C2 ZINC001236131592 979402890 /nfs/dbraw/zinc/40/28/90/979402890.db2.gz CPRFJMXJJJTYCZ-IYXRBSQSSA-N 2 1 237.391 1.332 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@]1(C)CCCNC1 ZINC001236200737 979449235 /nfs/dbraw/zinc/44/92/35/979449235.db2.gz JHQFVJPMEXZPDO-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@]1(C)CCCNC1 ZINC001236200737 979449243 /nfs/dbraw/zinc/44/92/43/979449243.db2.gz JHQFVJPMEXZPDO-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314525 979523132 /nfs/dbraw/zinc/52/31/32/979523132.db2.gz QESFXKDVKYQZRO-OKILXGFUSA-N 3 1 239.407 1.437 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)no1 ZINC001236314951 979525617 /nfs/dbraw/zinc/52/56/17/979525617.db2.gz IYGCFXNEYZKEBD-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314179 979526337 /nfs/dbraw/zinc/52/63/37/979526337.db2.gz JOEQXDDKJFUGTH-NDBYEHHHSA-N 2 1 208.349 1.574 20 0 BDADMP c1nscc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322140 979536305 /nfs/dbraw/zinc/53/63/05/979536305.db2.gz QWTUMNRXWVJGGU-TXEJJXNPSA-N 2 1 237.372 1.575 20 0 BDADMP NCC[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565669 979638763 /nfs/dbraw/zinc/63/87/63/979638763.db2.gz LZLCICQVAKIPII-MQMHXKEQSA-N 2 1 239.407 1.850 20 0 BDADMP CC[N@@H+](C1CCOCC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC000716444051 979661043 /nfs/dbraw/zinc/66/10/43/979661043.db2.gz TULYSDCXXGUVLI-YPMHNXCESA-N 2 1 226.364 1.628 20 0 BDADMP CCC(CC)[N@@H+](CCNC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781909 979721112 /nfs/dbraw/zinc/72/11/12/979721112.db2.gz AZQZCXMQWWLQHH-MQMHXKEQSA-N 2 1 241.423 1.966 20 0 BDADMP CCC(CC)N(CC[NH2+]C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781909 979721120 /nfs/dbraw/zinc/72/11/20/979721120.db2.gz AZQZCXMQWWLQHH-MQMHXKEQSA-N 2 1 241.423 1.966 20 0 BDADMP CCC(CC)[N@@H+](CCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782923 979733837 /nfs/dbraw/zinc/73/38/37/979733837.db2.gz MQQHYPJYXQQLNE-AULYBMBSSA-N 2 1 228.380 1.739 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001205256179 979740536 /nfs/dbraw/zinc/74/05/36/979740536.db2.gz NSOKSFMDTPGQBY-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP CCOC(C)(C)C[N@H+](C)C[C@@H]([NH3+])CC ZINC001236859047 979763167 /nfs/dbraw/zinc/76/31/67/979763167.db2.gz HGNLETHYXHOYLT-JTQLQIEISA-N 2 1 202.342 1.471 20 0 BDADMP CCOC(C)(C)C[N@@H+](C)C[C@@H]([NH3+])CC ZINC001236859047 979763177 /nfs/dbraw/zinc/76/31/77/979763177.db2.gz HGNLETHYXHOYLT-JTQLQIEISA-N 2 1 202.342 1.471 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2n[nH]cc21 ZINC001236899425 979786172 /nfs/dbraw/zinc/78/61/72/979786172.db2.gz IQLCCAWRKLFSTQ-VIFPVBQESA-N 2 1 218.304 1.342 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2n[nH]cc21 ZINC001236899425 979786178 /nfs/dbraw/zinc/78/61/78/979786178.db2.gz IQLCCAWRKLFSTQ-VIFPVBQESA-N 2 1 218.304 1.342 20 0 BDADMP C1=C2NCC[N@H+](CCC3CC[NH2+]CC3)[C@@H]2CCC1 ZINC001237219107 979848073 /nfs/dbraw/zinc/84/80/73/979848073.db2.gz KBVGFYKDARCKMW-OAHLLOKOSA-N 2 1 249.402 1.718 20 0 BDADMP [NH3+]C12CC(CC[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)(C1)C2 ZINC001237375210 979878117 /nfs/dbraw/zinc/87/81/17/979878117.db2.gz LLPQJHRUFKJMAP-HESLUPGFSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+]C12CC(CC[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)(C1)C2 ZINC001237375210 979878127 /nfs/dbraw/zinc/87/81/27/979878127.db2.gz LLPQJHRUFKJMAP-HESLUPGFSA-N 3 1 249.402 1.332 20 0 BDADMP O=c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c[nH]1 ZINC001237383689 979882401 /nfs/dbraw/zinc/88/24/01/979882401.db2.gz RRYAEQYDXPMNPG-CHWSQXEVSA-N 2 1 247.342 1.361 20 0 BDADMP O=c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c[nH]1 ZINC001237383689 979882404 /nfs/dbraw/zinc/88/24/04/979882404.db2.gz RRYAEQYDXPMNPG-CHWSQXEVSA-N 2 1 247.342 1.361 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNc2nc(N)cc(C)[nH+]2)C1 ZINC001342862532 979921066 /nfs/dbraw/zinc/92/10/66/979921066.db2.gz DHXVDZVKGSYDGS-NSHDSACASA-N 2 1 249.362 1.511 20 0 BDADMP O[C@H]1CCCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104214 980149746 /nfs/dbraw/zinc/14/97/46/980149746.db2.gz SWJWGEAKRSSQQB-AWEZNQCLSA-N 2 1 245.326 1.681 20 0 BDADMP O[C@H]1CCCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104214 980149753 /nfs/dbraw/zinc/14/97/53/980149753.db2.gz SWJWGEAKRSSQQB-AWEZNQCLSA-N 2 1 245.326 1.681 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238103065 980151351 /nfs/dbraw/zinc/15/13/51/980151351.db2.gz JUDHHFXJEQJDCU-GXFFZTMASA-N 2 1 231.299 1.147 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238103065 980151358 /nfs/dbraw/zinc/15/13/58/980151358.db2.gz JUDHHFXJEQJDCU-GXFFZTMASA-N 2 1 231.299 1.147 20 0 BDADMP c1[nH+]cn2c1cccc2C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001238108467 980155614 /nfs/dbraw/zinc/15/56/14/980155614.db2.gz WSRJBHMNSAROCU-PHIMTYICSA-N 2 1 213.284 1.786 20 0 BDADMP c1[nH+]cn2c1cccc2C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001238108467 980155621 /nfs/dbraw/zinc/15/56/21/980155621.db2.gz WSRJBHMNSAROCU-PHIMTYICSA-N 2 1 213.284 1.786 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC3CCC2CC3)CCO1 ZINC000691663121 980382443 /nfs/dbraw/zinc/38/24/43/980382443.db2.gz RIIALDLFJSOIDT-HOAMVYINSA-N 2 1 238.375 1.472 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC3CCC2CC3)CCO1 ZINC000691663121 980382447 /nfs/dbraw/zinc/38/24/47/980382447.db2.gz RIIALDLFJSOIDT-HOAMVYINSA-N 2 1 238.375 1.472 20 0 BDADMP c1nocc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001239176852 980486012 /nfs/dbraw/zinc/48/60/12/980486012.db2.gz BIYQKZDEWFGFOH-UHFFFAOYSA-N 2 1 240.266 1.676 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC001205546010 980944814 /nfs/dbraw/zinc/94/48/14/980944814.db2.gz OQIWTUNJQJHERJ-OLZOCXBDSA-N 2 1 242.338 1.832 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602304 981162906 /nfs/dbraw/zinc/16/29/06/981162906.db2.gz IHJMNTQNUSTDCF-IJLUTSLNSA-N 2 1 242.363 1.102 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2nccs2)CC[C@@H]1C[NH3+] ZINC001205602216 981166259 /nfs/dbraw/zinc/16/62/59/981166259.db2.gz HSWPEODUTOBCAE-GHMZBOCLSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccn2C)CC[C@H]1C[NH3+] ZINC001205602769 981172309 /nfs/dbraw/zinc/17/23/09/981172309.db2.gz MGDFALCOMFPJEW-OLZOCXBDSA-N 2 1 235.375 1.832 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccn2C)CC[C@@H]1C[NH3+] ZINC001205602770 981172503 /nfs/dbraw/zinc/17/25/03/981172503.db2.gz MGDFALCOMFPJEW-QWHCGFSZSA-N 2 1 235.375 1.832 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnc2)CC[C@H]1C[NH3+] ZINC001205604824 981181461 /nfs/dbraw/zinc/18/14/61/981181461.db2.gz XVNUKWPSMGXEBD-OCCSQVGLSA-N 2 1 233.359 1.888 20 0 BDADMP CCc1ccc(NC[C@@](C)(O)C[NH+](C)C)[nH+]c1 ZINC001348053333 981262571 /nfs/dbraw/zinc/26/25/71/981262571.db2.gz ZUZIEEYRIVXSMA-CYBMUJFWSA-N 2 1 237.347 1.369 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccnc(N)c2)CC[C@H]1C[NH3+] ZINC001205626909 981279701 /nfs/dbraw/zinc/27/97/01/981279701.db2.gz KPEDGWSZHOOQLE-AAEUAGOBSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)o1 ZINC001205637839 981381705 /nfs/dbraw/zinc/38/17/05/981381705.db2.gz JLMKVTXZWQFZSS-CMPLNLGQSA-N 2 1 237.347 1.790 20 0 BDADMP CC[C@@H](C)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001193987280 981526807 /nfs/dbraw/zinc/52/68/07/981526807.db2.gz BWZNINJJOPJJJX-NEPJUHHUSA-N 2 1 236.363 1.966 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001580880838 981685563 /nfs/dbraw/zinc/68/55/63/981685563.db2.gz ZEHCYYTULGXKEF-SYQHCUMBSA-N 2 1 238.375 1.412 20 0 BDADMP c1cc2n(n1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001580891980 981721844 /nfs/dbraw/zinc/72/18/44/981721844.db2.gz LEXMMECCQYDQKT-LBPRGKRZSA-N 2 1 234.347 1.088 20 0 BDADMP c1ncc(CC[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)s1 ZINC001580897719 981727205 /nfs/dbraw/zinc/72/72/05/981727205.db2.gz YKUHFGONLQQLRK-MNOVXSKESA-N 2 1 237.372 1.227 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCC2OCCO2)C1 ZINC001205804303 982564396 /nfs/dbraw/zinc/56/43/96/982564396.db2.gz MPGKFGLFUWVZCC-VXGBXAGGSA-N 2 1 242.363 1.199 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCC2OCCO2)C1 ZINC001205804303 982564397 /nfs/dbraw/zinc/56/43/97/982564397.db2.gz MPGKFGLFUWVZCC-VXGBXAGGSA-N 2 1 242.363 1.199 20 0 BDADMP C[N@H+]1CCC=C(c2ccc3c(n2)OCC[NH2+]C3)C1 ZINC001241567126 982814203 /nfs/dbraw/zinc/81/42/03/982814203.db2.gz MCOAWKFOERECIZ-UHFFFAOYSA-N 2 1 245.326 1.283 20 0 BDADMP C[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C[C@@H]1[NH3+] ZINC001205871966 983012319 /nfs/dbraw/zinc/01/23/19/983012319.db2.gz AKNGFHDEYXMPNA-NEPJUHHUSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@H](CNc1nccn2c[nH+]cc12)C[NH+](C)C ZINC001355283956 983463149 /nfs/dbraw/zinc/46/31/49/983463149.db2.gz NQQUYOZMMNGCAQ-SNVBAGLBSA-N 2 1 233.319 1.339 20 0 BDADMP CCCC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252111614 983692518 /nfs/dbraw/zinc/69/25/18/983692518.db2.gz YMCNSPWZTJPCJH-AWEZNQCLSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576261778 984157665 /nfs/dbraw/zinc/15/76/65/984157665.db2.gz AXDLPMVBRMZZNJ-ZDEQEGDKSA-N 2 1 226.364 1.207 20 0 BDADMP COCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981037 984174759 /nfs/dbraw/zinc/17/47/59/984174759.db2.gz BEYBJJXUCGXWQK-NWDGAFQWSA-N 2 1 214.353 1.330 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981806 984185282 /nfs/dbraw/zinc/18/52/82/984185282.db2.gz HHAMASGAXOSYLJ-IJLUTSLNSA-N 2 1 242.363 1.102 20 0 BDADMP CC[C@@](C)(C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)OC ZINC001576950058 984185216 /nfs/dbraw/zinc/18/52/16/984185216.db2.gz ZGALHCMGCMHPDF-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CC[NH2+]1 ZINC001577400950 984195128 /nfs/dbraw/zinc/19/51/28/984195128.db2.gz PYCIURMXSSHCOU-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP CCCCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001253551554 984203552 /nfs/dbraw/zinc/20/35/52/984203552.db2.gz PJFPQUHRJNSLEX-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH3+])C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001578446533 984214640 /nfs/dbraw/zinc/21/46/40/984214640.db2.gz ZIBAFAMEDRFBKP-RRFJBIMHSA-N 2 1 248.370 1.432 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001578446533 984214646 /nfs/dbraw/zinc/21/46/46/984214646.db2.gz ZIBAFAMEDRFBKP-RRFJBIMHSA-N 2 1 248.370 1.432 20 0 BDADMP COCCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001274936311 984411421 /nfs/dbraw/zinc/41/14/21/984411421.db2.gz FYISSUUGOFHMBU-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)C1CC1 ZINC001580229897 984430861 /nfs/dbraw/zinc/43/08/61/984430861.db2.gz VTKCAROOWRTDKP-VXGBXAGGSA-N 2 1 248.326 1.153 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccn1C ZINC001275235012 984525491 /nfs/dbraw/zinc/52/54/91/984525491.db2.gz XLUMMJCWTQUPPV-YHWZYXNKSA-N 2 1 233.359 1.740 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccn1C ZINC001275235012 984525499 /nfs/dbraw/zinc/52/54/99/984525499.db2.gz XLUMMJCWTQUPPV-YHWZYXNKSA-N 2 1 233.359 1.740 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc3cnccc3o2)C1 ZINC001580430435 984534922 /nfs/dbraw/zinc/53/49/22/984534922.db2.gz LZEYBFNPTZCZDJ-MGCOHNPYSA-N 2 1 217.272 1.407 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001577771335 984743306 /nfs/dbraw/zinc/74/33/06/984743306.db2.gz VBBATKGBFJJYJQ-WDEREUQCSA-N 2 1 247.333 1.058 20 0 BDADMP CCN1CCC([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001577768270 984753660 /nfs/dbraw/zinc/75/36/60/984753660.db2.gz WVIJTNDAGWIFLT-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]cn3)CC2)C1 ZINC001276202566 984827460 /nfs/dbraw/zinc/82/74/60/984827460.db2.gz BEAMFTSSFWYIQK-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cnc[nH]3)CC2)C1 ZINC001276202566 984827462 /nfs/dbraw/zinc/82/74/62/984827462.db2.gz BEAMFTSSFWYIQK-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP C[N@H+]1CCCC2(CC[NH+](Cc3cnc[nH]3)CC2)C1 ZINC001276202566 984827464 /nfs/dbraw/zinc/82/74/64/984827464.db2.gz BEAMFTSSFWYIQK-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cn1 ZINC001276222096 984831972 /nfs/dbraw/zinc/83/19/72/984831972.db2.gz MYQBNNGZDGEFFL-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP [NH3+]Cc1cnn([C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256900553 984846159 /nfs/dbraw/zinc/84/61/59/984846159.db2.gz PAKZNWGWQQTLNB-CQSZACIVSA-N 2 1 248.374 1.921 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1NCc1c[nH+]c2n1CCC2 ZINC001578241998 984893868 /nfs/dbraw/zinc/89/38/68/984893868.db2.gz WOZCMJAMHXHSNN-NEPJUHHUSA-N 2 1 234.347 1.059 20 0 BDADMP CCc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001578259977 984907158 /nfs/dbraw/zinc/90/71/58/984907158.db2.gz UWXHRBNPZGQPFL-UONOGXRCSA-N 2 1 234.343 1.061 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)s1 ZINC001578296797 984959792 /nfs/dbraw/zinc/95/97/92/984959792.db2.gz FTWCRTZAUAJOTF-OCAPTIKFSA-N 2 1 211.334 1.285 20 0 BDADMP CC[C@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257440912 985016703 /nfs/dbraw/zinc/01/67/03/985016703.db2.gz TWBYIPHGIYWAMO-NSHDSACASA-N 2 1 239.363 1.915 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000686011117 985037358 /nfs/dbraw/zinc/03/73/58/985037358.db2.gz AUOJXKBODFZVNT-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000686011117 985037366 /nfs/dbraw/zinc/03/73/66/985037366.db2.gz AUOJXKBODFZVNT-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H](O)C1CC1 ZINC001578442210 985071901 /nfs/dbraw/zinc/07/19/01/985071901.db2.gz PJWWBIAEKWWRCP-CHWSQXEVSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H](O)C1CC1 ZINC001578442210 985071914 /nfs/dbraw/zinc/07/19/14/985071914.db2.gz PJWWBIAEKWWRCP-CHWSQXEVSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450499 985081464 /nfs/dbraw/zinc/08/14/64/985081464.db2.gz QLQZFXNUPWGCCS-ODXJTPSBSA-N 2 1 236.359 1.094 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450499 985081473 /nfs/dbraw/zinc/08/14/73/985081473.db2.gz QLQZFXNUPWGCCS-ODXJTPSBSA-N 2 1 236.359 1.094 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CC(C)(C)CO ZINC001578469321 985101921 /nfs/dbraw/zinc/10/19/21/985101921.db2.gz SJFKOKVQGKMMHN-UHFFFAOYSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H](C[NH3+])C3)[C@@H]2C1 ZINC001578520786 985141866 /nfs/dbraw/zinc/14/18/66/985141866.db2.gz GNJWRIOZZTVYHJ-QNSTZXKLSA-N 3 1 237.391 1.044 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CC[C@@]32CN)CC1 ZINC001578524424 985149168 /nfs/dbraw/zinc/14/91/68/985149168.db2.gz WFJWDJPPZJODGG-ZIAGYGMSSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC001578524424 985149179 /nfs/dbraw/zinc/14/91/79/985149179.db2.gz WFJWDJPPZJODGG-ZIAGYGMSSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC001578524424 985149188 /nfs/dbraw/zinc/14/91/88/985149188.db2.gz WFJWDJPPZJODGG-ZIAGYGMSSA-N 3 1 237.391 1.141 20 0 BDADMP C[N@@H+]1CCC[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC001578528960 985154911 /nfs/dbraw/zinc/15/49/11/985154911.db2.gz NDNGXYVBFBCNHX-NWANDNLSSA-N 2 1 245.370 1.295 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC001578528960 985154922 /nfs/dbraw/zinc/15/49/22/985154922.db2.gz NDNGXYVBFBCNHX-NWANDNLSSA-N 2 1 245.370 1.295 20 0 BDADMP COC(CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000686608243 985156058 /nfs/dbraw/zinc/15/60/58/985156058.db2.gz CJJMFAXVELREPS-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP COC(CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000686608243 985156067 /nfs/dbraw/zinc/15/60/67/985156067.db2.gz CJJMFAXVELREPS-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP COC(CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000686608243 985156074 /nfs/dbraw/zinc/15/60/74/985156074.db2.gz CJJMFAXVELREPS-ZDUSSCGKSA-N 2 1 242.363 1.023 20 0 BDADMP C[N@H+]1CCCC[C@H]1CNC[C@@H]([NH3+])CC(F)F ZINC001578528539 985156610 /nfs/dbraw/zinc/15/66/10/985156610.db2.gz IWDXJHKFAUDOIX-UWVGGRQHSA-N 2 1 235.322 1.043 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCC(OC)OC)CC1 ZINC000686618050 985159581 /nfs/dbraw/zinc/15/95/81/985159581.db2.gz XSDABJANMZMXTM-UHFFFAOYSA-N 2 1 244.379 1.412 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCC(OC)OC)CC1 ZINC000686618050 985159591 /nfs/dbraw/zinc/15/95/91/985159591.db2.gz XSDABJANMZMXTM-UHFFFAOYSA-N 2 1 244.379 1.412 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccc(C)cc1C ZINC001578653106 985263912 /nfs/dbraw/zinc/26/39/12/985263912.db2.gz SSMTXCYWNJDTEW-CQSZACIVSA-N 2 1 236.359 1.316 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccc(C)cc1C ZINC001578653106 985263929 /nfs/dbraw/zinc/26/39/29/985263929.db2.gz SSMTXCYWNJDTEW-CQSZACIVSA-N 2 1 236.359 1.316 20 0 BDADMP C[NH2+]CC[C@H]1CCCC[N@H+]1C[C@H](O)C1CC1 ZINC001578677146 985290970 /nfs/dbraw/zinc/29/09/70/985290970.db2.gz XEBWEQRIOIMSFT-OLZOCXBDSA-N 2 1 226.364 1.221 20 0 BDADMP COC(=O)[C@@H](CC1CC1)[NH2+]C1CC(CC[NH3+])C1 ZINC001578767991 985331091 /nfs/dbraw/zinc/33/10/91/985331091.db2.gz IDACXBSNHLASHP-HTAVTVPLSA-N 2 1 240.347 1.045 20 0 BDADMP COC(=O)C[NH+]1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001578812389 985368648 /nfs/dbraw/zinc/36/86/48/985368648.db2.gz SNKMMUWIKSLKDL-NSHDSACASA-N 2 1 240.347 1.000 20 0 BDADMP COC(=O)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C(C)(C)C ZINC001578800827 985371770 /nfs/dbraw/zinc/37/17/70/985371770.db2.gz DDWUYYSVSJBDRC-GHMZBOCLSA-N 2 1 242.363 1.306 20 0 BDADMP CO[C@@H](CC(C)C)C[N@@H+](C)CCC[NH3+] ZINC001578901242 985485462 /nfs/dbraw/zinc/48/54/62/985485462.db2.gz PZFLTHUCZYSIQA-NSHDSACASA-N 2 1 202.342 1.328 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000688028878 985504126 /nfs/dbraw/zinc/50/41/26/985504126.db2.gz IMWBYNBRCGOEPN-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC001579000039 985641097 /nfs/dbraw/zinc/64/10/97/985641097.db2.gz NHYSUUPKXLUVIN-OLZOCXBDSA-N 2 1 240.391 1.861 20 0 BDADMP COCC[C@@H]([NH3+])C[N@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC001579000039 985641108 /nfs/dbraw/zinc/64/11/08/985641108.db2.gz NHYSUUPKXLUVIN-OLZOCXBDSA-N 2 1 240.391 1.861 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258223585 985664763 /nfs/dbraw/zinc/66/47/63/985664763.db2.gz FSPXPDVSRPOTDH-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CSCC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258223585 985664774 /nfs/dbraw/zinc/66/47/74/985664774.db2.gz FSPXPDVSRPOTDH-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP COCC[N@H+](Cc1cccnc1)CC1(C[NH3+])CC1 ZINC001579031337 985678319 /nfs/dbraw/zinc/67/83/19/985678319.db2.gz BMWKQQDJPFYARR-UHFFFAOYSA-N 2 1 249.358 1.269 20 0 BDADMP COCC[N@@H+](Cc1cccnc1)CC1(C[NH3+])CC1 ZINC001579031337 985678334 /nfs/dbraw/zinc/67/83/34/985678334.db2.gz BMWKQQDJPFYARR-UHFFFAOYSA-N 2 1 249.358 1.269 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC001579114490 985752364 /nfs/dbraw/zinc/75/23/64/985752364.db2.gz MSVFAEIPQZRJGB-QZQSVVMZSA-N 2 1 224.348 1.286 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@]2(C[NH3+])CCCC[C@@H]2C)C1 ZINC001579129070 985803222 /nfs/dbraw/zinc/80/32/22/985803222.db2.gz FDOFNZXUJQCZSO-IGQOVBAYSA-N 2 1 240.391 1.909 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001258345471 985821807 /nfs/dbraw/zinc/82/18/07/985821807.db2.gz KABRYCYUTUIFEW-SNVBAGLBSA-N 2 1 228.336 1.012 20 0 BDADMP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c(F)c1 ZINC001579218059 985825654 /nfs/dbraw/zinc/82/56/54/985825654.db2.gz PWTOAUUUPDAMAA-AOOOYVTPSA-N 2 1 224.279 1.414 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001579385042 985871150 /nfs/dbraw/zinc/87/11/50/985871150.db2.gz RZCWQKPXRQHGTI-VLEAKVRGSA-N 2 1 214.378 1.611 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc2nsnc21 ZINC001579395300 985875195 /nfs/dbraw/zinc/87/51/95/985875195.db2.gz GDEFIKWHQWSOOE-ZETCQYMHSA-N 2 1 222.317 1.128 20 0 BDADMP C[C@@H](O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460695074 985875972 /nfs/dbraw/zinc/87/59/72/985875972.db2.gz YHTUKHQGMCWWLS-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1[C@H](C)CC[C@@H]1CO ZINC001460689534 985879597 /nfs/dbraw/zinc/87/95/97/985879597.db2.gz PULLFHYQXRQGDE-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCO2)C[C@H]1C[NH3+] ZINC001579440510 985922786 /nfs/dbraw/zinc/92/27/86/985922786.db2.gz GHVQXTKRJQRWIH-IJLUTSLNSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cnc(C3CC3)nc2)C[C@H]1C[NH3+] ZINC001579441606 985933252 /nfs/dbraw/zinc/93/32/52/985933252.db2.gz IVZCVHNIDBYVQD-ZWNOBZJWSA-N 2 1 246.358 1.381 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)C[C@H]1C[NH3+] ZINC001579441606 985933261 /nfs/dbraw/zinc/93/32/61/985933261.db2.gz IVZCVHNIDBYVQD-ZWNOBZJWSA-N 2 1 246.358 1.381 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC001579454588 985939215 /nfs/dbraw/zinc/93/92/15/985939215.db2.gz MUMLOPYLEMEISW-AGIUHOORSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC001461224018 986028061 /nfs/dbraw/zinc/02/80/61/986028061.db2.gz SFAGQCVQAOOIAY-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1[C@@H](O)CC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001579507723 986053443 /nfs/dbraw/zinc/05/34/43/986053443.db2.gz HXQDHNCGOJVTQD-GWCFXTLKSA-N 2 1 220.316 1.100 20 0 BDADMP C[C@]12C[N@@H+](C[C@@H](O)CC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001579509703 986061979 /nfs/dbraw/zinc/06/19/79/986061979.db2.gz DCGRTUURCSMQRL-ZUWCUPBKSA-N 2 1 238.375 1.064 20 0 BDADMP CC[C@@H](C)C[C@@H](CC)[N@H+](CC[NH3+])CCO ZINC001258778869 986164419 /nfs/dbraw/zinc/16/44/19/986164419.db2.gz MUBFVERDSLZQSC-VXGBXAGGSA-N 2 1 216.369 1.454 20 0 BDADMP CC[C@@H](C)C[C@@H](CC)[N@@H+](CC[NH3+])CCO ZINC001258778869 986164428 /nfs/dbraw/zinc/16/44/28/986164428.db2.gz MUBFVERDSLZQSC-VXGBXAGGSA-N 2 1 216.369 1.454 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001579672051 986175533 /nfs/dbraw/zinc/17/55/33/986175533.db2.gz XOVNDFWITNUGIF-BARDWOONSA-N 2 1 246.354 1.178 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001579672051 986175548 /nfs/dbraw/zinc/17/55/48/986175548.db2.gz XOVNDFWITNUGIF-BARDWOONSA-N 2 1 246.354 1.178 20 0 BDADMP Cc1ccc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2O)c1 ZINC001579673169 986176476 /nfs/dbraw/zinc/17/64/76/986176476.db2.gz XBZBDSJETTYJNG-UONOGXRCSA-N 2 1 234.343 1.116 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001579692069 986188911 /nfs/dbraw/zinc/18/89/11/986188911.db2.gz RNVTZPHZYLSIBB-OLZOCXBDSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001579692069 986188952 /nfs/dbraw/zinc/18/89/52/986188952.db2.gz RNVTZPHZYLSIBB-OLZOCXBDSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1cccc(C)c1C[N@H+](C)C[C@]1(O)CC[NH2+]C1 ZINC001579754650 986209578 /nfs/dbraw/zinc/20/95/78/986209578.db2.gz KHTOWLHGPFAFIN-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP C(C1CCC1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001202792964 986310842 /nfs/dbraw/zinc/31/08/42/986310842.db2.gz PXRNCORXGGSKNP-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP Cn1ncc(C[NH3+])c1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001580002496 986404245 /nfs/dbraw/zinc/40/42/45/986404245.db2.gz WEDHTUITCFWLID-GFCCVEGCSA-N 2 1 248.374 1.501 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253778245 986412537 /nfs/dbraw/zinc/41/25/37/986412537.db2.gz KDKAEMHYMARTSQ-RNJOBUHISA-N 2 1 226.364 1.218 20 0 BDADMP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]1F)CC(F)F ZINC001580131577 986598974 /nfs/dbraw/zinc/59/89/74/986598974.db2.gz FMIDGDLWBPFEPB-DJLDLDEBSA-N 2 1 224.270 1.839 20 0 BDADMP [NH3+][C@@H](C[NH2+]CCNc1ccccc1)CC(F)F ZINC001580132976 986598914 /nfs/dbraw/zinc/59/89/14/986598914.db2.gz SLAHGESWKLTIFY-SNVBAGLBSA-N 2 1 243.301 1.671 20 0 BDADMP [NH3+][C@@H](C[NH2+]CCCC(F)F)CC(F)(F)F ZINC001580132947 986600523 /nfs/dbraw/zinc/60/05/23/986600523.db2.gz SDYLJHIBQKHRRC-ZCFIWIBFSA-N 2 1 234.212 1.901 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@]12C[C@H]1COC21CCC1)CC(F)F ZINC001580132904 986603263 /nfs/dbraw/zinc/60/32/63/986603263.db2.gz RMGTXLGKKCCKLO-YGOYTEALSA-N 2 1 246.301 1.270 20 0 BDADMP Cn1cc(C2([NH2+][C@@H]3CCC[N@H+](C)CC3)CC2)cn1 ZINC001254501791 986645878 /nfs/dbraw/zinc/64/58/78/986645878.db2.gz XPXKYGBKHPFURH-CYBMUJFWSA-N 2 1 248.374 1.483 20 0 BDADMP Cn1cc(C2([NH2+][C@@H]3CCC[N@@H+](C)CC3)CC2)cn1 ZINC001254501791 986645885 /nfs/dbraw/zinc/64/58/85/986645885.db2.gz XPXKYGBKHPFURH-CYBMUJFWSA-N 2 1 248.374 1.483 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2C[C@@H](F)C[C@H](CO)C2)CC1 ZINC001254516375 986651044 /nfs/dbraw/zinc/65/10/44/986651044.db2.gz MAEMPTNAKVURFF-AVGNSLFASA-N 2 1 244.354 1.123 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H](F)C[C@H](CO)C2)CC1 ZINC001254516375 986651051 /nfs/dbraw/zinc/65/10/51/986651051.db2.gz MAEMPTNAKVURFF-AVGNSLFASA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H](F)C[C@H](CO)C2)CC1 ZINC001254516375 986651063 /nfs/dbraw/zinc/65/10/63/986651063.db2.gz MAEMPTNAKVURFF-AVGNSLFASA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H](F)C[C@H](CO)C2)CC1 ZINC001254516375 986651073 /nfs/dbraw/zinc/65/10/73/986651073.db2.gz MAEMPTNAKVURFF-AVGNSLFASA-N 2 1 244.354 1.123 20 0 BDADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H]1CO ZINC001254517093 986655349 /nfs/dbraw/zinc/65/53/49/986655349.db2.gz RYUDNEYOYNCOIN-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)[C@@H]1CO ZINC001254517093 986655360 /nfs/dbraw/zinc/65/53/60/986655360.db2.gz RYUDNEYOYNCOIN-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)[C@@H]1CO ZINC001254517093 986655370 /nfs/dbraw/zinc/65/53/70/986655370.db2.gz RYUDNEYOYNCOIN-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CCCCCCO)C1CCCC1 ZINC001580229704 986680068 /nfs/dbraw/zinc/68/00/68/986680068.db2.gz SHRWTBCUTKBQIE-CYBMUJFWSA-N 2 1 228.380 1.646 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1CC1 ZINC001580229911 986680810 /nfs/dbraw/zinc/68/08/10/986680810.db2.gz WQMORIMBQBEPCT-GJZGRUSLSA-N 2 1 248.370 1.307 20 0 BDADMP Nc1ncccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC001580286484 986732474 /nfs/dbraw/zinc/73/24/74/986732474.db2.gz FZYVSWWGXQKMPJ-LBPRGKRZSA-N 2 1 234.347 1.367 20 0 BDADMP [NH3+]CCC[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001580298621 986738978 /nfs/dbraw/zinc/73/89/78/986738978.db2.gz RCYIENXWOUERSJ-AWEZNQCLSA-N 2 1 234.343 1.799 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOCC3(CC3)C2)C1 ZINC001580387307 986811250 /nfs/dbraw/zinc/81/12/50/986811250.db2.gz XIPJWXUULMFHGP-NWDGAFQWSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](c3cnccn3)C2)C1 ZINC001580387560 986813688 /nfs/dbraw/zinc/81/36/88/986813688.db2.gz MUNLOEYOZJHTKG-RWMBFGLXSA-N 2 1 246.358 1.393 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCSC[C@H]2C2CCC2)C1 ZINC001580419182 986839061 /nfs/dbraw/zinc/83/90/61/986839061.db2.gz VRQGQHSXIXZVKU-UHTWSYAYSA-N 2 1 240.416 1.941 20 0 BDADMP C[N@H+]1CC[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001255438855 986960758 /nfs/dbraw/zinc/96/07/58/986960758.db2.gz PFLRXOVDVQBITI-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)o1 ZINC000689717545 987096602 /nfs/dbraw/zinc/09/66/02/987096602.db2.gz QWQONFHERGPJED-WPTOEGHWSA-N 2 1 246.354 1.717 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246018626 987306395 /nfs/dbraw/zinc/30/63/95/987306395.db2.gz FZZPMTQBFCKVPS-VXGBXAGGSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246021753 987313805 /nfs/dbraw/zinc/31/38/05/987313805.db2.gz OYTNRZQRHOAPCG-VXGBXAGGSA-N 2 1 232.343 1.156 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025922 987316412 /nfs/dbraw/zinc/31/64/12/987316412.db2.gz YHIQSBVKTVPORE-WCQYABFASA-N 2 1 246.370 1.546 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246059115 987349732 /nfs/dbraw/zinc/34/97/32/987349732.db2.gz ICXCHZKQUCHEMP-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCSC2)C[NH2+]1 ZINC001246074477 987365281 /nfs/dbraw/zinc/36/52/81/987365281.db2.gz AEGZRYVVCSJTFX-GUBZILKMSA-N 2 1 200.351 1.222 20 0 BDADMP Cc1cnccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697824044 987364761 /nfs/dbraw/zinc/36/47/61/987364761.db2.gz KFYUMRBYPFSPEZ-GFCCVEGCSA-N 2 1 221.348 1.820 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC001246089432 987392700 /nfs/dbraw/zinc/39/27/00/987392700.db2.gz FAOBLULRNASHCJ-ROKHWSDSSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[NH2+]1 ZINC001246090552 987395340 /nfs/dbraw/zinc/39/53/40/987395340.db2.gz YKFSBTLPKUVDKG-QCNOEVLYSA-N 2 1 214.328 1.997 20 0 BDADMP C1[NH2+]CC12CCC([NH2+][C@H]1CCCCNC1)CC2 ZINC001246090940 987397170 /nfs/dbraw/zinc/39/71/70/987397170.db2.gz NIHQEYGBZFOEIN-ZDUSSCGKSA-N 2 1 237.391 1.250 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090860 987399349 /nfs/dbraw/zinc/39/93/49/987399349.db2.gz MCGJLQQRPOBWFH-GXTWGEPZSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096922 987407203 /nfs/dbraw/zinc/40/72/03/987407203.db2.gz NQTLJYBKYBTLJR-CSHRUCKSSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246101792 987423188 /nfs/dbraw/zinc/42/31/88/987423188.db2.gz MGGPQGNRTYYROY-MBNYWOFBSA-N 2 1 233.359 1.600 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246106331 987431727 /nfs/dbraw/zinc/43/17/27/987431727.db2.gz XGSWJIBLBCQUHB-XJFOESAGSA-N 3 1 239.407 1.352 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246106329 987433352 /nfs/dbraw/zinc/43/33/52/987433352.db2.gz XGSWJIBLBCQUHB-REWJHTLYSA-N 3 1 239.407 1.352 20 0 BDADMP C(C[NH2+][C@@H]1CCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001246107692 987438158 /nfs/dbraw/zinc/43/81/58/987438158.db2.gz UIEDIHAZQDBPFL-CYBMUJFWSA-N 3 1 225.380 1.108 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114469 987455188 /nfs/dbraw/zinc/45/51/88/987455188.db2.gz WQOOWWMCIZZXSF-RVMXOQNASA-N 3 1 225.380 1.105 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246119554 987464412 /nfs/dbraw/zinc/46/44/12/987464412.db2.gz HDWQLSYLKNPVBQ-NEPJUHHUSA-N 2 1 242.363 1.450 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]C1)C1CC2(C1)CC[NH2+]CC2 ZINC001246123698 987471418 /nfs/dbraw/zinc/47/14/18/987471418.db2.gz AFUJKZNKQBSGQM-ZDUSSCGKSA-N 3 1 237.391 1.108 20 0 BDADMP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246127611 987479652 /nfs/dbraw/zinc/47/96/52/987479652.db2.gz LJSBMSWRQNUXBA-FOSCPWQOSA-N 3 1 223.364 1.001 20 0 BDADMP CC1(C)CCC([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)CC1 ZINC001246137353 987494821 /nfs/dbraw/zinc/49/48/21/987494821.db2.gz YGWQODASNILQBX-JHJVBQTASA-N 2 1 238.375 1.532 20 0 BDADMP CCCC[N@@H+](CC)CCNC1CC[NH2+]CC1 ZINC001246161385 987520326 /nfs/dbraw/zinc/52/03/26/987520326.db2.gz LCSLLFIOSCYYDL-UHFFFAOYSA-N 2 1 227.396 1.450 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246176042 987540295 /nfs/dbraw/zinc/54/02/95/987540295.db2.gz JXTRRCMHSPHOHO-ONGXEEELSA-N 3 1 222.336 1.006 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC(=O)C(C)(C)C)CC[NH2+]1 ZINC001246175993 987545745 /nfs/dbraw/zinc/54/57/45/987545745.db2.gz ONOACEWRNRUPHY-ZJUUUORDSA-N 2 1 212.337 1.332 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)CC[NH2+]1 ZINC001246184576 987563158 /nfs/dbraw/zinc/56/31/58/987563158.db2.gz MDVKBCYZDGSKJD-GXSJLCMTSA-N 2 1 246.314 1.453 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CCC[NH2+]1)C2 ZINC001246186695 987564839 /nfs/dbraw/zinc/56/48/39/987564839.db2.gz GUGJUJWLFKNSCG-YIYPIFLZSA-N 2 1 237.391 1.343 20 0 BDADMP Fc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246187176 987567960 /nfs/dbraw/zinc/56/79/60/987567960.db2.gz MFBMDOXHCDDWIQ-NEPJUHHUSA-N 2 1 234.318 1.635 20 0 BDADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246188646 987571028 /nfs/dbraw/zinc/57/10/28/987571028.db2.gz ZHIZKCFVUOFAQE-ZIAGYGMSSA-N 2 1 246.354 1.504 20 0 BDADMP C(N[C@@H]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC001246195315 987586264 /nfs/dbraw/zinc/58/62/64/987586264.db2.gz RDZWDXJNSUMNPH-OLZOCXBDSA-N 2 1 237.391 1.250 20 0 BDADMP COC(=O)CCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246198255 987591108 /nfs/dbraw/zinc/59/11/08/987591108.db2.gz DVJNQDMILUPCAJ-LLVKDONJSA-N 2 1 228.336 1.061 20 0 BDADMP CC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207338 987604473 /nfs/dbraw/zinc/60/44/73/987604473.db2.gz OWWZLDDFRTWNSF-QWRGUYRKSA-N 2 1 244.379 1.824 20 0 BDADMP CCCC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246211217 987606383 /nfs/dbraw/zinc/60/63/83/987606383.db2.gz QAGUEZHKAMRVIC-IJLUTSLNSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CCOCC2)CC[NH2+]1 ZINC001246216567 987612620 /nfs/dbraw/zinc/61/26/20/987612620.db2.gz MCAMLYDNZWELKF-QWRGUYRKSA-N 2 1 230.327 1.235 20 0 BDADMP C([NH2+][C@H]1CCCCNC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246221751 987619660 /nfs/dbraw/zinc/61/96/60/987619660.db2.gz JMKTYPBNBRDZHX-FQUUOJAGSA-N 2 1 237.391 1.249 20 0 BDADMP CCOC(CC[NH2+][C@@H]1CC[C@@H](C)NC1)OCC ZINC001246234135 987632370 /nfs/dbraw/zinc/63/23/70/987632370.db2.gz TXJWOZIEUOMBEO-VXGBXAGGSA-N 2 1 244.379 1.506 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246238727 987637335 /nfs/dbraw/zinc/63/73/35/987637335.db2.gz ZGIIDMFQWOQJOS-IKWCTNDRSA-N 3 1 225.380 1.329 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246240290 987639447 /nfs/dbraw/zinc/63/94/47/987639447.db2.gz UGHBXGAERSXSMP-FVCCEPFGSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1CC([NH2+]CC[C@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246241971 987646560 /nfs/dbraw/zinc/64/65/60/987646560.db2.gz DHRPWRDOVPYMNW-JHJVBQTASA-N 3 1 239.407 1.637 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH3+])CC[NH2+]1 ZINC001246253488 987652831 /nfs/dbraw/zinc/65/28/31/987652831.db2.gz YSMLFWQYQSRZGB-CHWSQXEVSA-N 3 1 241.423 1.872 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246269931 987662733 /nfs/dbraw/zinc/66/27/33/987662733.db2.gz CISBGCJQVDALRH-NWDGAFQWSA-N 3 1 241.423 1.870 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)C[NH2+]1 ZINC001246266845 987663409 /nfs/dbraw/zinc/66/34/09/987663409.db2.gz SGDTXLUBSPGNGT-QWHCGFSZSA-N 3 1 237.391 1.202 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246274646 987668878 /nfs/dbraw/zinc/66/88/78/987668878.db2.gz YUMVPKSWZIBOFI-OLZOCXBDSA-N 3 1 225.380 1.108 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246274025 987669759 /nfs/dbraw/zinc/66/97/59/987669759.db2.gz UOWJWVPUFUHQNJ-GFCCVEGCSA-N 3 1 225.380 1.108 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246278653 987672633 /nfs/dbraw/zinc/67/26/33/987672633.db2.gz LFLJSVXCGUNDHM-RFQIPJPRSA-N 3 1 239.407 1.767 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C[NH2+]1 ZINC001246283659 987678854 /nfs/dbraw/zinc/67/88/54/987678854.db2.gz XDRHVCLLRXTCHW-KWCYVHTRSA-N 2 1 240.391 1.658 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH3+])CC[NH2+]1 ZINC001246303349 987700367 /nfs/dbraw/zinc/70/03/67/987700367.db2.gz HNPSPSMMJSMMAP-UPJWGTAASA-N 3 1 227.396 1.624 20 0 BDADMP C[NH2+]C1CCC([NH2+]C[C@@H](N)CC(C)C)CC1 ZINC001246304739 987704155 /nfs/dbraw/zinc/70/41/55/987704155.db2.gz BCUCLHSCCRZVBG-HIFPTAJRSA-N 2 1 227.396 1.480 20 0 BDADMP CCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246306467 987705537 /nfs/dbraw/zinc/70/55/37/987705537.db2.gz KPEDDIKRPPOWHM-MELADBBJSA-N 2 1 242.407 1.905 20 0 BDADMP CC[C@@H](N)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001246316356 987721728 /nfs/dbraw/zinc/72/17/28/987721728.db2.gz ZBIOMUCQJMYSHR-VOMCLLRMSA-N 2 1 213.369 1.186 20 0 BDADMP CO[C@H](C)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001474443040 987724224 /nfs/dbraw/zinc/72/42/24/987724224.db2.gz PHZZSILHCOUQBT-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COCc3ccccc32)CC[NH2+]1 ZINC001246321493 987727364 /nfs/dbraw/zinc/72/73/64/987727364.db2.gz WQMGBSZKMULMCH-UXIGCNINSA-N 2 1 246.354 1.988 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246328771 987733804 /nfs/dbraw/zinc/73/38/04/987733804.db2.gz SGZUTAOYKUWEDD-NDBYEHHHSA-N 3 1 227.396 1.480 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)C1 ZINC001474499097 987742454 /nfs/dbraw/zinc/74/24/54/987742454.db2.gz KADGTLSJHGEVLN-CRWXNKLISA-N 2 1 238.375 1.341 20 0 BDADMP CC(C)[C@H](N)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246335605 987744895 /nfs/dbraw/zinc/74/48/95/987744895.db2.gz ZXTLRKBYARBBDH-CHWSQXEVSA-N 2 1 239.407 1.482 20 0 BDADMP OC1CCC(CC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246337896 987745799 /nfs/dbraw/zinc/74/57/99/987745799.db2.gz XHXMSJGIHBRDRV-CPCZMJQVSA-N 2 1 226.364 1.269 20 0 BDADMP O=C1C[C@@H]2CC([NH2+][C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246349699 987759464 /nfs/dbraw/zinc/75/94/64/987759464.db2.gz NTJNTEJITZNTHG-GARJFASQSA-N 2 1 222.332 1.086 20 0 BDADMP CO[C@H](C)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC001474566883 987761336 /nfs/dbraw/zinc/76/13/36/987761336.db2.gz STJQZYHZUNYFPL-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP O=C1C[C@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246349701 987761559 /nfs/dbraw/zinc/76/15/59/987761559.db2.gz NTJNTEJITZNTHG-KXNHARMFSA-N 2 1 222.332 1.086 20 0 BDADMP C1CCC([N@H+]2CC[C@@H](N[C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246361484 987767454 /nfs/dbraw/zinc/76/74/54/987767454.db2.gz OOONUJKEAQHMRV-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP CCC(CC)[N@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246360705 987768535 /nfs/dbraw/zinc/76/85/35/987768535.db2.gz ILUAQHHUJMHZLV-ZDUSSCGKSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1CC[C@@H](NCc2[nH+]cn3ccccc23)C[NH2+]1 ZINC001246393684 987778322 /nfs/dbraw/zinc/77/83/22/987778322.db2.gz HDCDWMUTOIKYHW-VXGBXAGGSA-N 2 1 244.342 1.564 20 0 BDADMP C(N[C@@H]1CC[NH2+]C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246383096 987779447 /nfs/dbraw/zinc/77/94/47/987779447.db2.gz CWYLBVXSAOCOIO-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP CC(C)(C[NH2+][C@H]1CCC[NH2+]C1)Cc1cccnc1 ZINC001246434829 987800085 /nfs/dbraw/zinc/80/00/85/987800085.db2.gz ZNCVOHNQMODZOJ-AWEZNQCLSA-N 2 1 247.386 1.992 20 0 BDADMP CC(C)NCC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246453346 987808449 /nfs/dbraw/zinc/80/84/49/987808449.db2.gz NMMRDHXTYNRYDN-CYBMUJFWSA-N 2 1 239.407 1.496 20 0 BDADMP CC1(C)CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246452639 987808869 /nfs/dbraw/zinc/80/88/69/987808869.db2.gz KVQXIOSGAGLEDM-GFCCVEGCSA-N 3 1 227.396 1.483 20 0 BDADMP C[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453948 987809492 /nfs/dbraw/zinc/80/94/92/987809492.db2.gz RKEVRXKCCNEVTH-QWHCGFSZSA-N 3 1 227.396 1.483 20 0 BDADMP CCn1ccc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001474735230 987813361 /nfs/dbraw/zinc/81/33/61/987813361.db2.gz LFKQQKLSYFKYAB-CYBMUJFWSA-N 2 1 248.374 1.334 20 0 BDADMP CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246487530 987843061 /nfs/dbraw/zinc/84/30/61/987843061.db2.gz GQMMBMWZFJVORB-MNOVXSKESA-N 2 1 245.436 1.058 20 0 BDADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2)cc1 ZINC001246486228 987843076 /nfs/dbraw/zinc/84/30/76/987843076.db2.gz DQEGZDGFXMEVRV-ZFWWWQNUSA-N 2 1 247.386 1.077 20 0 BDADMP CC1(C)CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2)C1 ZINC001246491515 987846681 /nfs/dbraw/zinc/84/66/81/987846681.db2.gz SRCQWKJLLCONSE-NWDGAFQWSA-N 2 1 225.380 1.106 20 0 BDADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246494044 987847826 /nfs/dbraw/zinc/84/78/26/987847826.db2.gz BWMWZHXJWMBMLO-CYBMUJFWSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCC[C@@H]1CCCC[N@@H+]([C@H]2CCCNC2)C1 ZINC001246495052 987849952 /nfs/dbraw/zinc/84/99/52/987849952.db2.gz FBQSUIMQEBCPCO-KBPBESRZSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CCCNC2)C1 ZINC001246495052 987849954 /nfs/dbraw/zinc/84/99/54/987849954.db2.gz FBQSUIMQEBCPCO-KBPBESRZSA-N 2 1 239.407 1.579 20 0 BDADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246497897 987853870 /nfs/dbraw/zinc/85/38/70/987853870.db2.gz OFKDVKFOWMWQFX-FIQHERPVSA-N 2 1 240.347 1.058 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCC3(COC3)CC2)CC[NH2+]1 ZINC001246522947 987873173 /nfs/dbraw/zinc/87/31/73/987873173.db2.gz KGHOVIQDHPKSCY-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP C1CC2(C[C@H]1[N@H+]1CCCNCC1)CC[NH2+]CC2 ZINC001246526415 987880472 /nfs/dbraw/zinc/88/04/72/987880472.db2.gz WSLMCGAUGADFJW-ZDUSSCGKSA-N 2 1 237.391 1.204 20 0 BDADMP C1CC2(C[C@H]1N1CCC[NH2+]CC1)CC[NH2+]CC2 ZINC001246526415 987880477 /nfs/dbraw/zinc/88/04/77/987880477.db2.gz WSLMCGAUGADFJW-ZDUSSCGKSA-N 2 1 237.391 1.204 20 0 BDADMP C[N@@H+](CCN)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246528238 987881349 /nfs/dbraw/zinc/88/13/49/987881349.db2.gz OYDVGQFLSNSJDI-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP CN(CC[NH3+])C1CCC2(CCC[NH2+]C2)CC1 ZINC001246528238 987881353 /nfs/dbraw/zinc/88/13/53/987881353.db2.gz OYDVGQFLSNSJDI-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP C1C[NH2+]CC2(C1)CCC([NH+]1CCNCC1)CC2 ZINC001246530826 987886329 /nfs/dbraw/zinc/88/63/29/987886329.db2.gz QFGAWGUSPGDLOJ-UHFFFAOYSA-N 2 1 237.391 1.204 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CC[C@@](C)([NH3+])C3)C[C@@H]21 ZINC001246532808 987890160 /nfs/dbraw/zinc/89/01/60/987890160.db2.gz YJBSGXRRLURASC-LSCVPOLPSA-N 2 1 208.349 1.844 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@](C)([NH3+])C1)C2 ZINC001246531696 987890928 /nfs/dbraw/zinc/89/09/28/987890928.db2.gz SHDATTLVWABENG-MROQNXINSA-N 2 1 223.364 1.035 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@](C)([NH3+])C3)C[C@@H]21 ZINC001246532798 987892076 /nfs/dbraw/zinc/89/20/76/987892076.db2.gz YJBSGXRRLURASC-HNCHTBHHSA-N 2 1 208.349 1.844 20 0 BDADMP N[C@@H]1C[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535041 987893236 /nfs/dbraw/zinc/89/32/36/987893236.db2.gz UZGZGYUIIVYCBU-MJBXVCDLSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535041 987893240 /nfs/dbraw/zinc/89/32/40/987893240.db2.gz UZGZGYUIIVYCBU-MJBXVCDLSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535041 987893246 /nfs/dbraw/zinc/89/32/46/987893246.db2.gz UZGZGYUIIVYCBU-MJBXVCDLSA-N 3 1 249.402 1.332 20 0 BDADMP CCCC[C@H](CCC)[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246537872 987897518 /nfs/dbraw/zinc/89/75/18/987897518.db2.gz DRALCXUBEFUXIS-RWMBFGLXSA-N 2 1 228.380 1.739 20 0 BDADMP CCCC[C@H](CCC)[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246537872 987897525 /nfs/dbraw/zinc/89/75/25/987897525.db2.gz DRALCXUBEFUXIS-RWMBFGLXSA-N 2 1 228.380 1.739 20 0 BDADMP CCSC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538305 987899374 /nfs/dbraw/zinc/89/93/74/987899374.db2.gz AWMZEIWFYBJBRI-MNOVXSKESA-N 2 1 216.394 1.941 20 0 BDADMP CCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246539205 987900921 /nfs/dbraw/zinc/90/09/21/987900921.db2.gz CNRODPLDRFNTPW-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539942 987905159 /nfs/dbraw/zinc/90/51/59/987905159.db2.gz JBYGNDFUGJQPSW-CHWSQXEVSA-N 3 1 237.391 1.474 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246539942 987905167 /nfs/dbraw/zinc/90/51/67/987905167.db2.gz JBYGNDFUGJQPSW-CHWSQXEVSA-N 3 1 237.391 1.474 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540112 987905534 /nfs/dbraw/zinc/90/55/34/987905534.db2.gz FOFMFTPCMRAPPR-NWDGAFQWSA-N 3 1 225.380 1.330 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540112 987905548 /nfs/dbraw/zinc/90/55/48/987905548.db2.gz FOFMFTPCMRAPPR-NWDGAFQWSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1C[NH3+] ZINC001246539245 987905611 /nfs/dbraw/zinc/90/56/11/987905611.db2.gz GEZHKPGZCYOQKU-NWDGAFQWSA-N 3 1 237.391 1.045 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246542047 987907705 /nfs/dbraw/zinc/90/77/05/987907705.db2.gz IODLXQGXMOSBJU-WRWGMCAJSA-N 2 1 240.347 1.140 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246542047 987907711 /nfs/dbraw/zinc/90/77/11/987907711.db2.gz IODLXQGXMOSBJU-WRWGMCAJSA-N 2 1 240.347 1.140 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CCCOCC2)C[C@H]1C[NH3+] ZINC001246543044 987909596 /nfs/dbraw/zinc/90/95/96/987909596.db2.gz RPRFFDZQBPLRMV-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246541331 987913564 /nfs/dbraw/zinc/91/35/64/987913564.db2.gz GPSUYIVVVBSXFX-DDHJBXDOSA-N 2 1 212.337 1.366 20 0 BDADMP CCC[C@H](CC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541925 987913876 /nfs/dbraw/zinc/91/38/76/987913876.db2.gz HRABNCKTGFPSKG-QWHCGFSZSA-N 2 1 228.380 1.741 20 0 BDADMP COC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544924 987922604 /nfs/dbraw/zinc/92/26/04/987922604.db2.gz IGSXLCNXVBQSCO-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001246549495 987934898 /nfs/dbraw/zinc/93/48/98/987934898.db2.gz KYMDDJDEMBZFEJ-KEPMVKOISA-N 2 1 222.332 1.166 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001246549495 987934906 /nfs/dbraw/zinc/93/49/06/987934906.db2.gz KYMDDJDEMBZFEJ-KEPMVKOISA-N 2 1 222.332 1.166 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246550642 987943167 /nfs/dbraw/zinc/94/31/67/987943167.db2.gz QSNJGMJFNGQVTQ-NAWOPXAZSA-N 2 1 223.364 1.033 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246552268 987955321 /nfs/dbraw/zinc/95/53/21/987955321.db2.gz UCFHMUDHFZYGJG-MROQNXINSA-N 2 1 226.339 1.938 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(C)cn1 ZINC001117953738 987965594 /nfs/dbraw/zinc/96/55/94/987965594.db2.gz ODGPKJAZWFPOIX-NSHDSACASA-N 2 1 207.321 1.478 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246555695 987967816 /nfs/dbraw/zinc/96/78/16/987967816.db2.gz HOMBRQIFRRRMOS-RGDJUOJXSA-N 2 1 237.391 1.044 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1N ZINC001246559812 987984682 /nfs/dbraw/zinc/98/46/82/987984682.db2.gz FBRJKWPLMSXIGB-RQJABVFESA-N 2 1 237.391 1.188 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC001118017942 987985468 /nfs/dbraw/zinc/98/54/68/987985468.db2.gz DCSXEQOWSDBNTC-SNVBAGLBSA-N 2 1 238.379 1.795 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CC3)CC2)C[C@H]1O ZINC001246562228 988009285 /nfs/dbraw/zinc/00/92/85/988009285.db2.gz XBDQDNRPVYVPFZ-VXGBXAGGSA-N 2 1 224.348 1.103 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H](CO)CC[C@H]2C)CC[NH2+]1 ZINC001246563231 988009495 /nfs/dbraw/zinc/00/94/95/988009495.db2.gz CJCGOLYJTHVKLM-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCSC2)CCC[C@@H]1C[NH3+] ZINC001246563997 988011794 /nfs/dbraw/zinc/01/17/94/988011794.db2.gz DOTMTCXXTDMRRH-UTUOFQBUSA-N 2 1 228.405 1.799 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@H+](C2CCCCC2)C1 ZINC001246565723 988012573 /nfs/dbraw/zinc/01/25/73/988012573.db2.gz ZJTKWPZUIYOTCX-ZDUSSCGKSA-N 2 1 226.364 1.495 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564360 988013702 /nfs/dbraw/zinc/01/37/02/988013702.db2.gz NBMJRJWIRBNIRX-LPWJVIDDSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564360 988013718 /nfs/dbraw/zinc/01/37/18/988013718.db2.gz NBMJRJWIRBNIRX-LPWJVIDDSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2COC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001246564494 988018045 /nfs/dbraw/zinc/01/80/45/988018045.db2.gz XHXDAEVQWMTHBR-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566124 988026262 /nfs/dbraw/zinc/02/62/62/988026262.db2.gz FUXXTBGYNUONMK-FRRDWIJNSA-N 2 1 228.380 1.717 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566124 988026281 /nfs/dbraw/zinc/02/62/81/988026281.db2.gz FUXXTBGYNUONMK-FRRDWIJNSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246569081 988045901 /nfs/dbraw/zinc/04/59/01/988045901.db2.gz PTRAUMDBKGXJLQ-YIYPIFLZSA-N 2 1 240.391 1.861 20 0 BDADMP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)CCN2 ZINC001246571015 988052273 /nfs/dbraw/zinc/05/22/73/988052273.db2.gz JRXIIDJVGGWVAL-HZSPNIEDSA-N 2 1 249.402 1.202 20 0 BDADMP C[C@]1(CF)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246572118 988057133 /nfs/dbraw/zinc/05/71/33/988057133.db2.gz DJPNYJFOMQDECP-ZGVCCVRISA-N 2 1 226.339 1.951 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246572005 988059051 /nfs/dbraw/zinc/05/90/51/988059051.db2.gz SZOWMHOZGKNKLM-SDDRHHMPSA-N 2 1 232.343 1.563 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246572005 988059068 /nfs/dbraw/zinc/05/90/68/988059068.db2.gz SZOWMHOZGKNKLM-SDDRHHMPSA-N 2 1 232.343 1.563 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246572161 988059702 /nfs/dbraw/zinc/05/97/02/988059702.db2.gz UTBJQURPLUADSG-RWMBFGLXSA-N 2 1 246.370 1.951 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246572161 988059718 /nfs/dbraw/zinc/05/97/18/988059718.db2.gz UTBJQURPLUADSG-RWMBFGLXSA-N 2 1 246.370 1.951 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246574114 988068232 /nfs/dbraw/zinc/06/82/32/988068232.db2.gz DCFKPTCTIFLUAG-QWHCGFSZSA-N 2 1 243.370 1.234 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC001246573789 988071737 /nfs/dbraw/zinc/07/17/37/988071737.db2.gz ZDMFORNRHUWJSW-RFQIPJPRSA-N 3 1 239.407 1.434 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246576642 988086444 /nfs/dbraw/zinc/08/64/44/988086444.db2.gz MDNKOGGKLONKPD-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246581812 988110605 /nfs/dbraw/zinc/11/06/05/988110605.db2.gz AWYDUGSFPZHHNA-QWHCGFSZSA-N 3 1 227.396 1.435 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246581812 988110621 /nfs/dbraw/zinc/11/06/21/988110621.db2.gz AWYDUGSFPZHHNA-QWHCGFSZSA-N 3 1 227.396 1.435 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246581809 988114877 /nfs/dbraw/zinc/11/48/77/988114877.db2.gz AWYDUGSFPZHHNA-CHWSQXEVSA-N 3 1 227.396 1.435 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246581809 988114885 /nfs/dbraw/zinc/11/48/85/988114885.db2.gz AWYDUGSFPZHHNA-CHWSQXEVSA-N 3 1 227.396 1.435 20 0 BDADMP CCCC[C@@H](CCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583827 988125110 /nfs/dbraw/zinc/12/51/10/988125110.db2.gz KYJKZKLLFAPHQF-XQQFMLRXSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246583247 988128946 /nfs/dbraw/zinc/12/89/46/988128946.db2.gz IXHRLMQUDMXJRS-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246583247 988128962 /nfs/dbraw/zinc/12/89/62/988128962.db2.gz IXHRLMQUDMXJRS-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP CCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246588575 988159245 /nfs/dbraw/zinc/15/92/45/988159245.db2.gz QNTXZSIIILHEAL-DCAQKATOSA-N 2 1 202.317 1.936 20 0 BDADMP CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246588575 988159255 /nfs/dbraw/zinc/15/92/55/988159255.db2.gz QNTXZSIIILHEAL-DCAQKATOSA-N 2 1 202.317 1.936 20 0 BDADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589046 988160371 /nfs/dbraw/zinc/16/03/71/988160371.db2.gz QZEGGBTUZSQYGI-RAIGVLPGSA-N 2 1 240.322 1.972 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589046 988160378 /nfs/dbraw/zinc/16/03/78/988160378.db2.gz QZEGGBTUZSQYGI-RAIGVLPGSA-N 2 1 240.322 1.972 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590047 988167086 /nfs/dbraw/zinc/16/70/86/988167086.db2.gz HWZNFPZPHMWWJA-ZBBUEOHVSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590047 988167106 /nfs/dbraw/zinc/16/71/06/988167106.db2.gz HWZNFPZPHMWWJA-ZBBUEOHVSA-N 3 1 237.391 1.329 20 0 BDADMP CC1(C)C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@](C)(CO)C1 ZINC001246591672 988177370 /nfs/dbraw/zinc/17/73/70/988177370.db2.gz WWDLVOAPPWQKKN-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[N@H+](C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC001246596040 988198057 /nfs/dbraw/zinc/19/80/57/988198057.db2.gz UXDOSQMKZNWXIN-CYBMUJFWSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC001246596040 988198069 /nfs/dbraw/zinc/19/80/69/988198069.db2.gz UXDOSQMKZNWXIN-CYBMUJFWSA-N 3 1 239.407 1.591 20 0 BDADMP CC1(C[NH3+])C[NH+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246602199 988215215 /nfs/dbraw/zinc/21/52/15/988215215.db2.gz WINMLTLRLHNGOK-CQSZACIVSA-N 2 1 248.345 1.964 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC([NH3+])C3)CC2)CC[NH2+]1 ZINC001246603878 988218291 /nfs/dbraw/zinc/21/82/91/988218291.db2.gz PALRBBWQXYWBPS-YPMHNXCESA-N 3 1 237.391 1.330 20 0 BDADMP C1C[N@@H+]([C@@H]2CCCOCC2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246606324 988225059 /nfs/dbraw/zinc/22/50/59/988225059.db2.gz DSKHWVQDVGCRCY-ZIAGYGMSSA-N 2 1 238.375 1.774 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246607700 988225820 /nfs/dbraw/zinc/22/58/20/988225820.db2.gz WSQYHYFRQOSLDZ-GFCCVEGCSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616248 988248066 /nfs/dbraw/zinc/24/80/66/988248066.db2.gz AKEKWACCMHHPTQ-MCIONIFRSA-N 2 1 238.375 1.772 20 0 BDADMP C1CCC([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246617498 988249776 /nfs/dbraw/zinc/24/97/76/988249776.db2.gz GOCDELROLSNSIE-KBPBESRZSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@@H]1CC(N2CCC(F)(C[NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246616403 988261050 /nfs/dbraw/zinc/26/10/50/988261050.db2.gz BNOWKHBFQFOIGR-GHMZBOCLSA-N 2 1 243.370 1.278 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246622179 988264909 /nfs/dbraw/zinc/26/49/09/988264909.db2.gz FWNSZZWMHLWQEO-RNJOBUHISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246622179 988264923 /nfs/dbraw/zinc/26/49/23/988264923.db2.gz FWNSZZWMHLWQEO-RNJOBUHISA-N 2 1 224.348 1.095 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246642712 988350745 /nfs/dbraw/zinc/35/07/45/988350745.db2.gz NELSKEBUPXFJOK-GXTWGEPZSA-N 2 1 237.391 1.202 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246647386 988363586 /nfs/dbraw/zinc/36/35/86/988363586.db2.gz SQIVFLPLKSHTEL-BYNSBNAKSA-N 3 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3CCC[C@@H]3C1)CCN2 ZINC001246655839 988387282 /nfs/dbraw/zinc/38/72/82/988387282.db2.gz LQBYEQZQJNVWLN-MGPQQGTHSA-N 2 1 249.402 1.202 20 0 BDADMP CC[C@@H]1CC([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246661518 988397174 /nfs/dbraw/zinc/39/71/74/988397174.db2.gz YBSKBUWEFQOCLM-SFYZRTLMSA-N 3 1 237.391 1.185 20 0 BDADMP CC[C@H]1CC([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246661514 988400259 /nfs/dbraw/zinc/40/02/59/988400259.db2.gz YBSKBUWEFQOCLM-GOCOPAARSA-N 3 1 237.391 1.185 20 0 BDADMP COC(=O)C1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246679643 988426897 /nfs/dbraw/zinc/42/68/97/988426897.db2.gz XKJIPIVUJXSURS-ZYHUDNBSSA-N 2 1 240.347 1.012 20 0 BDADMP CC(C)[C@@H]1C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CCN1 ZINC001246689241 988437083 /nfs/dbraw/zinc/43/70/83/988437083.db2.gz ZLTBUAJWGCRXJU-OLZOCXBDSA-N 2 1 237.391 1.058 20 0 BDADMP CC(C)[C@@H]1CN([C@@H]2CCC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246689241 988437089 /nfs/dbraw/zinc/43/70/89/988437089.db2.gz ZLTBUAJWGCRXJU-OLZOCXBDSA-N 2 1 237.391 1.058 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246695049 988443109 /nfs/dbraw/zinc/44/31/09/988443109.db2.gz LERDITXLJCBNMB-OLZOCXBDSA-N 2 1 237.391 1.058 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246695049 988443117 /nfs/dbraw/zinc/44/31/17/988443117.db2.gz LERDITXLJCBNMB-OLZOCXBDSA-N 2 1 237.391 1.058 20 0 BDADMP c1ccc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)nc1 ZINC001246790900 988469001 /nfs/dbraw/zinc/46/90/01/988469001.db2.gz OKYRHUFJVDGRIX-AWEZNQCLSA-N 2 1 231.343 1.971 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246793772 988472201 /nfs/dbraw/zinc/47/22/01/988472201.db2.gz DMPHEEIGHIPEKT-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP C1OCC12CCCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246804122 988483077 /nfs/dbraw/zinc/48/30/77/988483077.db2.gz LPCFXRJZUDFXHU-FUNVUKJBSA-N 2 1 236.359 1.524 20 0 BDADMP C1OCC12CCCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246804122 988483084 /nfs/dbraw/zinc/48/30/84/988483084.db2.gz LPCFXRJZUDFXHU-FUNVUKJBSA-N 2 1 236.359 1.524 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246812334 988499498 /nfs/dbraw/zinc/49/94/98/988499498.db2.gz YUIFUENSWDECDY-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@H]32)CC[NH2+]1 ZINC001246832608 988528998 /nfs/dbraw/zinc/52/89/98/988528998.db2.gz MUHWBAZTHHPLPH-AAVRWANBSA-N 2 1 237.391 1.153 20 0 BDADMP C1CC([NH+]2CCC3(CCOCC3)CC2)CC[NH2+]1 ZINC001246840534 988551572 /nfs/dbraw/zinc/55/15/72/988551572.db2.gz HIYYTVBXTCDGFP-UHFFFAOYSA-N 2 1 238.375 1.631 20 0 BDADMP C1C[C@@]2(C[N@@H+]1[C@@H]1CCC[NH2+]C1)CCCOC2 ZINC001246850686 988563189 /nfs/dbraw/zinc/56/31/89/988563189.db2.gz CWZRXNSIOAKOIE-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@@]2(C[N@H+]1[C@@H]1CCC[NH2+]C1)CCCOC2 ZINC001246850686 988563198 /nfs/dbraw/zinc/56/31/98/988563198.db2.gz CWZRXNSIOAKOIE-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC001246851072 988564892 /nfs/dbraw/zinc/56/48/92/988564892.db2.gz DEXPTSZFAHAWFG-GSWZFVNLSA-N 2 1 236.359 1.236 20 0 BDADMP CC1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246851739 988570585 /nfs/dbraw/zinc/57/05/85/988570585.db2.gz HCELYAANEFMLBT-PYNQCMFNSA-N 2 1 208.349 1.988 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCCOC3)C[NH2+]1 ZINC001246856302 988576432 /nfs/dbraw/zinc/57/64/32/988576432.db2.gz WTPITQMZPIUOMU-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(C2)CCCOC3)C[NH2+]1 ZINC001246856302 988576441 /nfs/dbraw/zinc/57/64/41/988576441.db2.gz WTPITQMZPIUOMU-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H]12 ZINC001246855002 988577158 /nfs/dbraw/zinc/57/71/58/988577158.db2.gz RTVZPGGHZKPWJG-SYLRKERUSA-N 2 1 224.348 1.094 20 0 BDADMP CCSC[C@H](C)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246857003 988582044 /nfs/dbraw/zinc/58/20/44/988582044.db2.gz YLSYNCGNKMCWKI-HBNTYKKESA-N 2 1 214.378 1.551 20 0 BDADMP CCSC[C@H](C)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246857003 988582053 /nfs/dbraw/zinc/58/20/53/988582053.db2.gz YLSYNCGNKMCWKI-HBNTYKKESA-N 2 1 214.378 1.551 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246859370 988592515 /nfs/dbraw/zinc/59/25/15/988592515.db2.gz DGZJDGHAKBHPOM-PIGZVRMJSA-N 2 1 236.359 1.713 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246859370 988592520 /nfs/dbraw/zinc/59/25/20/988592520.db2.gz DGZJDGHAKBHPOM-PIGZVRMJSA-N 2 1 236.359 1.713 20 0 BDADMP C(OC[C@@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1)C1CC1 ZINC001246858100 988595317 /nfs/dbraw/zinc/59/53/17/988595317.db2.gz BAMBXFBCYIVCGH-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C(OC[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)C1)C1CC1 ZINC001246858100 988595327 /nfs/dbraw/zinc/59/53/27/988595327.db2.gz BAMBXFBCYIVCGH-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246858352 988595524 /nfs/dbraw/zinc/59/55/24/988595524.db2.gz FWNSZZWMHLWQEO-CYDGBPFRSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246858352 988595539 /nfs/dbraw/zinc/59/55/39/988595539.db2.gz FWNSZZWMHLWQEO-CYDGBPFRSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246862094 988602975 /nfs/dbraw/zinc/60/29/75/988602975.db2.gz PWJAKPINCZCQMN-XBFCOCLRSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246862094 988602996 /nfs/dbraw/zinc/60/29/96/988602996.db2.gz PWJAKPINCZCQMN-XBFCOCLRSA-N 2 1 231.343 1.436 20 0 BDADMP CC1(C)CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246871499 988635384 /nfs/dbraw/zinc/63/53/84/988635384.db2.gz QKSIXCJLIQRIHN-GWCFXTLKSA-N 2 1 208.349 1.988 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246871499 988635392 /nfs/dbraw/zinc/63/53/92/988635392.db2.gz QKSIXCJLIQRIHN-GWCFXTLKSA-N 2 1 208.349 1.988 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC001246893631 988660485 /nfs/dbraw/zinc/66/04/85/988660485.db2.gz LKASUJNQBLESHX-KGYLQXTDSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC001246893631 988660496 /nfs/dbraw/zinc/66/04/96/988660496.db2.gz LKASUJNQBLESHX-KGYLQXTDSA-N 2 1 224.348 1.238 20 0 BDADMP C1C[NH2+]C[C@@H]([NH+]2CCC3(CCCOC3)CC2)C1 ZINC001246898168 988669933 /nfs/dbraw/zinc/66/99/33/988669933.db2.gz MKCXATLMWUMMLC-ZDUSSCGKSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H]1CC[C@H](N2CC[C@H]([N@@H+](C)C3CC3)C2)C[NH2+]1 ZINC001246905866 988679788 /nfs/dbraw/zinc/67/97/88/988679788.db2.gz AKWUPPDFJQJKKN-XBFCOCLRSA-N 2 1 237.391 1.295 20 0 BDADMP C1[C@@H]2C[NH2+]C[C@H]2N1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246915385 988708345 /nfs/dbraw/zinc/70/83/45/988708345.db2.gz FZQZFFFWLXFWSH-AEGPPILISA-N 2 1 249.402 1.297 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCCC[C@H]2N)CC1 ZINC001246918778 988717145 /nfs/dbraw/zinc/71/71/45/988717145.db2.gz MBPFZQHBLCULHN-PQAZSJQKSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)[N@@H+](CCCCCO)C1CC[NH2+]CC1 ZINC001246923196 988742829 /nfs/dbraw/zinc/74/28/29/988742829.db2.gz BGMMPIMAOSEDSN-UHFFFAOYSA-N 2 1 228.380 1.611 20 0 BDADMP CC[N@@H+](C)C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246949952 988785504 /nfs/dbraw/zinc/78/55/04/988785504.db2.gz MQDODJBPZSDSKZ-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP CC[N@@H+](C)C1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246948973 988785647 /nfs/dbraw/zinc/78/56/47/988785647.db2.gz HFVFKCFIWKGZRN-JSGCOSHPSA-N 2 1 239.407 1.543 20 0 BDADMP CC[C@H](N)C[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001246972251 988800040 /nfs/dbraw/zinc/80/00/40/988800040.db2.gz BWNRLXAEHLJDHW-HIFPTAJRSA-N 2 1 227.396 1.528 20 0 BDADMP CC[C@H]([NH3+])CN(C)C1CCC([NH+](C)C)CC1 ZINC001246972251 988800049 /nfs/dbraw/zinc/80/00/49/988800049.db2.gz BWNRLXAEHLJDHW-HIFPTAJRSA-N 2 1 227.396 1.528 20 0 BDADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246976475 988805211 /nfs/dbraw/zinc/80/52/11/988805211.db2.gz QQFJMVGSLABXJS-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246976475 988805213 /nfs/dbraw/zinc/80/52/13/988805213.db2.gz QQFJMVGSLABXJS-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@H]1CCC[N@@H+](C)CC1 ZINC001246974807 988807126 /nfs/dbraw/zinc/80/71/26/988807126.db2.gz RFGMFUGZESWZIX-RYUDHWBXSA-N 2 1 213.369 1.140 20 0 BDADMP CO[C@@H]1C[N@H+]([C@@H](C)CCCC(C)C)C[C@@H]1N ZINC001246984133 988816021 /nfs/dbraw/zinc/81/60/21/988816021.db2.gz YIJAWQFRJWFAAT-RWMBFGLXSA-N 2 1 228.380 1.859 20 0 BDADMP CCC1CCC([N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)CC1 ZINC001246992300 988823934 /nfs/dbraw/zinc/82/39/34/988823934.db2.gz VPMFUTDVKMYXJD-WXRRBKDZSA-N 2 1 238.375 1.615 20 0 BDADMP CCC1CCC([N@H+]2C[C@@H]([NH3+])C3(COC3)C2)CC1 ZINC001246992300 988823936 /nfs/dbraw/zinc/82/39/36/988823936.db2.gz VPMFUTDVKMYXJD-WXRRBKDZSA-N 2 1 238.375 1.615 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246996249 988828937 /nfs/dbraw/zinc/82/89/37/988828937.db2.gz WSHLPLDFTKJRBW-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP O=C1CCC[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@H]12 ZINC001247005640 988837182 /nfs/dbraw/zinc/83/71/82/988837182.db2.gz QUQSOLVXQVMFKS-PWSUYJOCSA-N 2 1 222.332 1.039 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[C@H]3[NH3+])CC2)CC[NH2+]1 ZINC001247004831 988837288 /nfs/dbraw/zinc/83/72/88/988837288.db2.gz VPPHCTYEXXAGJQ-FRRDWIJNSA-N 3 1 237.391 1.330 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017133 988844288 /nfs/dbraw/zinc/84/42/88/988844288.db2.gz ZVSNLINUDRTWSX-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017133 988844292 /nfs/dbraw/zinc/84/42/92/988844292.db2.gz ZVSNLINUDRTWSX-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC001325718172 989238764 /nfs/dbraw/zinc/23/87/64/989238764.db2.gz QQENGEMTFHJQIE-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001326200954 989420845 /nfs/dbraw/zinc/42/08/45/989420845.db2.gz GQHIRODHVJYJHJ-UHFFFAOYSA-N 2 1 237.391 1.191 20 0 BDADMP [NH3+]CCCc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326204847 989427735 /nfs/dbraw/zinc/42/77/35/989427735.db2.gz XLWLCXYKBLRZOV-NSHDSACASA-N 2 1 232.287 1.009 20 0 BDADMP CSC[C@@H](O)C[NH2+]CCC[N@@H+](C)C(C)C ZINC001120569605 989738571 /nfs/dbraw/zinc/73/85/71/989738571.db2.gz CLOPQHXICCZRKW-NSHDSACASA-N 2 1 234.409 1.030 20 0 BDADMP Cc1ccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)cc1 ZINC001326940352 989775652 /nfs/dbraw/zinc/77/56/52/989775652.db2.gz JPGZXAYUVCRTLB-NSHDSACASA-N 2 1 234.347 1.881 20 0 BDADMP C[C@@H](C[NH3+])c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326976269 989793747 /nfs/dbraw/zinc/79/37/47/989793747.db2.gz DFAXBCKJUMCIKB-WPRPVWTQSA-N 2 1 232.287 1.180 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000225100732 990886959 /nfs/dbraw/zinc/88/69/59/990886959.db2.gz OTKSAYFTKWFPIR-TZMCWYRMSA-N 2 1 234.343 1.261 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001258102803 991017954 /nfs/dbraw/zinc/01/79/54/991017954.db2.gz IRDPJDVTIZBJHJ-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001258102803 991017963 /nfs/dbraw/zinc/01/79/63/991017963.db2.gz IRDPJDVTIZBJHJ-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cn1 ZINC001308554359 991033143 /nfs/dbraw/zinc/03/31/43/991033143.db2.gz OTSQOAFHOQKMIY-RBSFLKMASA-N 2 1 245.370 1.820 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cn1 ZINC001308554360 991036448 /nfs/dbraw/zinc/03/64/48/991036448.db2.gz OTSQOAFHOQKMIY-RRFJBIMHSA-N 2 1 245.370 1.820 20 0 BDADMP [NH3+]CC[N@H+](CCO)C1CCCCCCC1 ZINC001258232700 991167295 /nfs/dbraw/zinc/16/72/95/991167295.db2.gz AYJMNYDESBIVKU-UHFFFAOYSA-N 2 1 214.353 1.352 20 0 BDADMP [NH3+]CC[N@@H+](CCO)C1CCCCCCC1 ZINC001258232700 991167301 /nfs/dbraw/zinc/16/73/01/991167301.db2.gz AYJMNYDESBIVKU-UHFFFAOYSA-N 2 1 214.353 1.352 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001308969917 991243487 /nfs/dbraw/zinc/24/34/87/991243487.db2.gz YNXMOCRTBIBHEO-NSHDSACASA-N 2 1 216.369 1.541 20 0 BDADMP C[NH2+][C@@H](C)c1nc([C@@H](N)c2ccccc2)no1 ZINC001329342794 991416297 /nfs/dbraw/zinc/41/62/97/991416297.db2.gz GEHOPTPFPKJZEF-WPRPVWTQSA-N 2 1 232.287 1.398 20 0 BDADMP C[NH2+][C@@H](C)c1nc([C@H](N)c2ccccc2)no1 ZINC001329342793 991416704 /nfs/dbraw/zinc/41/67/04/991416704.db2.gz GEHOPTPFPKJZEF-WCBMZHEXSA-N 2 1 232.287 1.398 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCCC[C@H](O)C2)CC1 ZINC001258771965 991739273 /nfs/dbraw/zinc/73/92/73/991739273.db2.gz DHVDKEBHHJCCSB-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC001258772551 991739922 /nfs/dbraw/zinc/73/99/22/991739922.db2.gz SPQACOFPGACSSK-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001258807869 991812300 /nfs/dbraw/zinc/81/23/00/991812300.db2.gz LNFZSBLKRQWGDC-QJPTWQEYSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001258817080 991831619 /nfs/dbraw/zinc/83/16/19/991831619.db2.gz MTSCGWYNYHAKLG-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC001319382456 991853762 /nfs/dbraw/zinc/85/37/62/991853762.db2.gz DSCOYOPBLROOKP-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP CCC[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001567240886 991973114 /nfs/dbraw/zinc/97/31/14/991973114.db2.gz RFKLOWUOAHKHOA-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP CCCC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001570734462 992512695 /nfs/dbraw/zinc/51/26/95/992512695.db2.gz UZNPFAORGQFYQU-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1CC[NH2+]CC1 ZINC001573510665 992626652 /nfs/dbraw/zinc/62/66/52/992626652.db2.gz FUQWQYPXKKDEGF-UHFFFAOYSA-N 3 1 241.423 1.554 20 0 BDADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CCOCC1 ZINC001574774998 992903045 /nfs/dbraw/zinc/90/30/45/992903045.db2.gz SXJVSCWRAAHDCL-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CCOCC1 ZINC001574774998 992903056 /nfs/dbraw/zinc/90/30/56/992903056.db2.gz SXJVSCWRAAHDCL-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCCC[N@H+]([C@H]1CCOC1)C2 ZINC001574801092 992913390 /nfs/dbraw/zinc/91/33/90/992913390.db2.gz NCRIOGFGOSLOBZ-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCOC2(CCC2)C1 ZINC001574800944 992914215 /nfs/dbraw/zinc/91/42/15/992914215.db2.gz MEYPHTOLHBVGHO-GFCCVEGCSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCOC2(CCC2)C1 ZINC001574800944 992914221 /nfs/dbraw/zinc/91/42/21/992914221.db2.gz MEYPHTOLHBVGHO-GFCCVEGCSA-N 2 1 224.348 1.241 20 0 BDADMP CCC[NH+]1CCC(CNc2cc[nH+]c(N)n2)CC1 ZINC001262681407 993020068 /nfs/dbraw/zinc/02/00/68/993020068.db2.gz LRHKATXKZIIXFI-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H](CO)C(C)C ZINC001575431026 993040096 /nfs/dbraw/zinc/04/00/96/993040096.db2.gz CBYGAZSVJKRAMB-HZSPNIEDSA-N 2 1 242.407 1.617 20 0 BDADMP CC(C)[C@H](O)CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC001575470595 993051019 /nfs/dbraw/zinc/05/10/19/993051019.db2.gz DAXJHMXGINSGDZ-CYBMUJFWSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001575472439 993051149 /nfs/dbraw/zinc/05/11/49/993051149.db2.gz MXAOQRKEDHEXMC-UPJWGTAASA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC001575473636 993054677 /nfs/dbraw/zinc/05/46/77/993054677.db2.gz VXZVVSBKMRWQTP-RYUDHWBXSA-N 2 1 216.369 1.356 20 0 BDADMP CC(C)[C@@]1(CO)CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001575495907 993056395 /nfs/dbraw/zinc/05/63/95/993056395.db2.gz GUBOSWHMSFHKQC-RDBSUJKOSA-N 2 1 240.391 1.182 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+][C@@H](C[NH3+])C1CC1 ZINC001575566270 993073988 /nfs/dbraw/zinc/07/39/88/993073988.db2.gz SLUZDJJWCRCUFL-NEPJUHHUSA-N 2 1 214.353 1.110 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575696442 993096553 /nfs/dbraw/zinc/09/65/53/993096553.db2.gz ASFMZYXRZJZUDG-ZIHBUVQPSA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1CN[C@H](C[NH3+])C1CC1 ZINC001575700277 993097938 /nfs/dbraw/zinc/09/79/38/993097938.db2.gz OVUAWZVIDCPJJN-ZIAGYGMSSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)[N@H+]1CCCC[C@H]1CN[C@@H](C[NH3+])C1CC1 ZINC001575700274 993098472 /nfs/dbraw/zinc/09/84/72/993098472.db2.gz OVUAWZVIDCPJJN-KBPBESRZSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](CCn1cccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575971469 993145890 /nfs/dbraw/zinc/14/58/90/993145890.db2.gz GAUDDOBPZOMGSY-FVCCEPFGSA-N 2 1 234.347 1.144 20 0 BDADMP C[C@@H](CCn1cccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575971471 993146662 /nfs/dbraw/zinc/14/66/62/993146662.db2.gz GAUDDOBPZOMGSY-QNWHQSFQSA-N 2 1 234.347 1.144 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001576072010 993169572 /nfs/dbraw/zinc/16/95/72/993169572.db2.gz QKRDYBBNWWOGTB-XQQFMLRXSA-N 2 1 234.347 1.146 20 0 BDADMP C[C@@H]([NH2+]C1CC(C(=O)OC(C)(C)C)C1)[C@H](C)[NH3+] ZINC001576104776 993184044 /nfs/dbraw/zinc/18/40/44/993184044.db2.gz IXBGVQBRPBYOOH-IZUQBHJASA-N 2 1 242.363 1.432 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001576116913 993185792 /nfs/dbraw/zinc/18/57/92/993185792.db2.gz BSJUKTMSXBVANK-CMPLNLGQSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1[C@H](C(=O)Nc2ccccc2C[NH3+])CC[N@H+]1C ZINC001263266687 993199697 /nfs/dbraw/zinc/19/96/97/993199697.db2.gz YFUVJMTZQWTIDJ-ZYHUDNBSSA-N 2 1 247.342 1.424 20 0 BDADMP C[C@@H](O)[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576269015 993244090 /nfs/dbraw/zinc/24/40/90/993244090.db2.gz KHYDPDTTXQDPDV-XQHKEYJVSA-N 2 1 226.364 1.349 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H](O)CC[NH3+])[C@@H]2CCC[C@@H]21 ZINC001576457382 993313106 /nfs/dbraw/zinc/31/31/06/993313106.db2.gz BXPZPFOQHQHZGQ-SDDRHHMPSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](O)CC[C@H]2C)CC[NH2+]1 ZINC001576597238 993360856 /nfs/dbraw/zinc/36/08/56/993360856.db2.gz DTTBVALYMGTQCL-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])C2CC2)CCO1 ZINC001576597631 993361320 /nfs/dbraw/zinc/36/13/20/993361320.db2.gz HEDYDAZMTRKWAK-SCVCMEIPSA-N 2 1 212.337 1.128 20 0 BDADMP C[C@@H]1CCC(=O)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001576635539 993380084 /nfs/dbraw/zinc/38/00/84/993380084.db2.gz BCUVJFYFYOADDI-MNOVXSKESA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1CCC(=O)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001576635539 993380088 /nfs/dbraw/zinc/38/00/88/993380088.db2.gz BCUVJFYFYOADDI-MNOVXSKESA-N 2 1 210.321 1.039 20 0 BDADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC000381263343 993383042 /nfs/dbraw/zinc/38/30/42/993383042.db2.gz PVQHTIVBTGUKOU-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP C[C@@H]1CC[C@](CO)([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576650830 993383964 /nfs/dbraw/zinc/38/39/64/993383964.db2.gz NOKWBISHSBNCDO-MQYQWHSLSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)C[NH2+]1 ZINC001576671333 993391231 /nfs/dbraw/zinc/39/12/31/993391231.db2.gz YMGNCUABMZESPS-AUZPSNTRSA-N 2 1 248.374 1.254 20 0 BDADMP C[C@H]1CCC[N@H+](CC2=NOCC2)[C@@H]1CC[NH3+] ZINC001576704060 993399444 /nfs/dbraw/zinc/39/94/44/993399444.db2.gz LDBGYUILYKTFQS-CMPLNLGQSA-N 2 1 225.336 1.212 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2=NOCC2)[C@@H]1CC[NH3+] ZINC001576704060 993399452 /nfs/dbraw/zinc/39/94/52/993399452.db2.gz LDBGYUILYKTFQS-CMPLNLGQSA-N 2 1 225.336 1.212 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1O ZINC001576729711 993407467 /nfs/dbraw/zinc/40/74/67/993407467.db2.gz WOOFAFUXVZMJER-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC000381995645 993435110 /nfs/dbraw/zinc/43/51/10/993435110.db2.gz IJPMVISKIZBZSC-CYBMUJFWSA-N 2 1 219.332 1.703 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001576959803 993466639 /nfs/dbraw/zinc/46/66/39/993466639.db2.gz HZAGKLRULGIKBM-IHRRRGAJSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001576965394 993472395 /nfs/dbraw/zinc/47/23/95/993472395.db2.gz AEVGZSVOERIJIZ-GVXVVHGQSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001576965394 993472400 /nfs/dbraw/zinc/47/24/00/993472400.db2.gz AEVGZSVOERIJIZ-GVXVVHGQSA-N 2 1 242.363 1.245 20 0 BDADMP CCC(CC)[N@@H+](C[C@H](O)CC[NH3+])C1CC1 ZINC001577069547 993493659 /nfs/dbraw/zinc/49/36/59/993493659.db2.gz FYUQOIQCUYLCPV-GFCCVEGCSA-N 2 1 214.353 1.349 20 0 BDADMP CC[C@H](CO)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001577088420 993498522 /nfs/dbraw/zinc/49/85/22/993498522.db2.gz CHJLKTBRCRWQMS-BFHYXJOUSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743773 993515405 /nfs/dbraw/zinc/51/54/05/993515405.db2.gz ISJIXHPBOTYFPK-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743773 993515416 /nfs/dbraw/zinc/51/54/16/993515416.db2.gz ISJIXHPBOTYFPK-UONOGXRCSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743773 993515424 /nfs/dbraw/zinc/51/54/24/993515424.db2.gz ISJIXHPBOTYFPK-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CCC[C@@H](N2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743773 993515433 /nfs/dbraw/zinc/51/54/33/993515433.db2.gz ISJIXHPBOTYFPK-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383743773 993515442 /nfs/dbraw/zinc/51/54/42/993515442.db2.gz ISJIXHPBOTYFPK-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP CC[C@]1(C)C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC001577208865 993545137 /nfs/dbraw/zinc/54/51/37/993545137.db2.gz NOBOUIAPQOVIKP-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@@](C)(O)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577330775 993598207 /nfs/dbraw/zinc/59/82/07/993598207.db2.gz GDIXVFIBCGSTPU-RKDXNWHRSA-N 2 1 242.285 1.407 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@](C)(CC)C[NH3+] ZINC001577445566 993663948 /nfs/dbraw/zinc/66/39/48/993663948.db2.gz YSXZGUOAQFPWLA-CYBMUJFWSA-N 2 1 243.395 1.210 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC001577447804 993664122 /nfs/dbraw/zinc/66/41/22/993664122.db2.gz LIWAZJRVOZTFNN-HIFPTAJRSA-N 3 1 227.396 1.434 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC001577447804 993664129 /nfs/dbraw/zinc/66/41/29/993664129.db2.gz LIWAZJRVOZTFNN-HIFPTAJRSA-N 3 1 227.396 1.434 20 0 BDADMP CCCC[N@H+]1CCCC[C@@H]1CNCC(C)(C)[NH3+] ZINC001577457803 993669109 /nfs/dbraw/zinc/66/91/09/993669109.db2.gz GDBHENRDPRXFOE-CYBMUJFWSA-N 2 1 241.423 1.968 20 0 BDADMP C(C1CC1)[C@H]1COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001332334609 993674528 /nfs/dbraw/zinc/67/45/28/993674528.db2.gz NSVLULRNCGUCTH-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CC1)[C@H]1COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001332334609 993674534 /nfs/dbraw/zinc/67/45/34/993674534.db2.gz NSVLULRNCGUCTH-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NCC1(C[NH3+])CCC1 ZINC001577510664 993676908 /nfs/dbraw/zinc/67/69/08/993676908.db2.gz XWHALERYVXCTIT-ZDUSSCGKSA-N 2 1 241.423 1.825 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC[C@@H]([NH3+])CC(F)F ZINC001577536527 993680702 /nfs/dbraw/zinc/68/07/02/993680702.db2.gz XWQIXYFXCWJLDA-QWRGUYRKSA-N 2 1 249.349 1.433 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577535508 993681585 /nfs/dbraw/zinc/68/15/85/993681585.db2.gz CZHQWHGCEXCFAG-YIFLHPOLSA-N 3 1 237.391 1.330 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001577535508 993681588 /nfs/dbraw/zinc/68/15/88/993681588.db2.gz CZHQWHGCEXCFAG-YIFLHPOLSA-N 3 1 237.391 1.330 20 0 BDADMP COc1ncccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000386295417 993686571 /nfs/dbraw/zinc/68/65/71/993686571.db2.gz DTUKGHHCGNSQQE-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ncccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000386295417 993686576 /nfs/dbraw/zinc/68/65/76/993686576.db2.gz DTUKGHHCGNSQQE-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](C)O ZINC000386751856 993695041 /nfs/dbraw/zinc/69/50/41/993695041.db2.gz GSNFNXGFECUSOZ-LOWDOPEQSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC23CCOCC3)CC1 ZINC000386949234 993698083 /nfs/dbraw/zinc/69/80/83/993698083.db2.gz WHHYMCIRTLGAHW-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CCN(C)[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001577654776 993708913 /nfs/dbraw/zinc/70/89/13/993708913.db2.gz HDTJDOUTHXBACV-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+](C)[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC001577654776 993708922 /nfs/dbraw/zinc/70/89/22/993708922.db2.gz HDTJDOUTHXBACV-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC001577654776 993708932 /nfs/dbraw/zinc/70/89/32/993708932.db2.gz HDTJDOUTHXBACV-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@H]1CCCC[NH2+]C1 ZINC001577710931 993718141 /nfs/dbraw/zinc/71/81/41/993718141.db2.gz JFBNPJQLHAGNDK-LBPRGKRZSA-N 2 1 242.363 1.261 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CCC[C@H]1CN ZINC000388452899 993733281 /nfs/dbraw/zinc/73/32/81/993733281.db2.gz RCOQGGBONMFGDU-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC000388452899 993733292 /nfs/dbraw/zinc/73/32/92/993733292.db2.gz RCOQGGBONMFGDU-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccnc2)C1 ZINC000390513936 993793318 /nfs/dbraw/zinc/79/33/18/993793318.db2.gz CYRYYNCXXQYGLD-GFCCVEGCSA-N 2 1 219.332 1.642 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CC[NH2+]1 ZINC000700795151 993851861 /nfs/dbraw/zinc/85/18/61/993851861.db2.gz XQAOFESDTJJBEX-SKDRFNHKSA-N 2 1 223.295 1.451 20 0 BDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)o1 ZINC000700841655 993855850 /nfs/dbraw/zinc/85/58/50/993855850.db2.gz DMTSTYALFIJGIZ-NSHDSACASA-N 2 1 223.320 1.544 20 0 BDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)o1 ZINC000700841655 993855852 /nfs/dbraw/zinc/85/58/52/993855852.db2.gz DMTSTYALFIJGIZ-NSHDSACASA-N 2 1 223.320 1.544 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392765773 993882100 /nfs/dbraw/zinc/88/21/00/993882100.db2.gz SPWYAKUIPSXKPP-LBPRGKRZSA-N 2 1 235.331 1.361 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]CC2(O)CCCCC2)CC1 ZINC000392877226 993887821 /nfs/dbraw/zinc/88/78/21/993887821.db2.gz QIUBYZIXGGNQHV-UHFFFAOYSA-N 2 1 238.375 1.533 20 0 BDADMP CCCC[N@H+](C)CCN[C@H]1CC[NH+](C)C1 ZINC000393621873 993975383 /nfs/dbraw/zinc/97/53/83/993975383.db2.gz WGQKHJKWMXZHKA-LBPRGKRZSA-N 2 1 213.369 1.012 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](C)C1 ZINC000393621873 993975406 /nfs/dbraw/zinc/97/54/06/993975406.db2.gz WGQKHJKWMXZHKA-LBPRGKRZSA-N 2 1 213.369 1.012 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](C)C1 ZINC000393621873 993975435 /nfs/dbraw/zinc/97/54/35/993975435.db2.gz WGQKHJKWMXZHKA-LBPRGKRZSA-N 2 1 213.369 1.012 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@](C)(CO)C2)C1 ZINC000702110315 993966450 /nfs/dbraw/zinc/96/64/50/993966450.db2.gz UFRCEXHADDUAAJ-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@](C)(CO)C2)C1 ZINC000702110315 993966460 /nfs/dbraw/zinc/96/64/60/993966460.db2.gz UFRCEXHADDUAAJ-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@](C)(CO)C2)C1 ZINC000702110315 993966476 /nfs/dbraw/zinc/96/64/76/993966476.db2.gz UFRCEXHADDUAAJ-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](C)C1 ZINC000393621873 993975420 /nfs/dbraw/zinc/97/54/20/993975420.db2.gz WGQKHJKWMXZHKA-LBPRGKRZSA-N 2 1 213.369 1.012 20 0 BDADMP CCOC(C)(C)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000702745307 994042174 /nfs/dbraw/zinc/04/21/74/994042174.db2.gz UGUMTGDTLCWRCV-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP CCOC(C)(C)C[N@H+]1CCC[C@@H]1CN ZINC000702745307 994042170 /nfs/dbraw/zinc/04/21/70/994042170.db2.gz UGUMTGDTLCWRCV-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000704890307 994050472 /nfs/dbraw/zinc/05/04/72/994050472.db2.gz JYPCAJWPSHXVFK-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000704890307 994050478 /nfs/dbraw/zinc/05/04/78/994050478.db2.gz JYPCAJWPSHXVFK-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1[nH]c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(C)[nH+]1 ZINC000724779779 994077191 /nfs/dbraw/zinc/07/71/91/994077191.db2.gz HZLFRWBGLFGBLV-DTORHVGOSA-N 2 1 222.336 1.209 20 0 BDADMP COC[C@H]1CCC[N@H+]1Cc1cnc(C)[nH]1 ZINC000724784990 994077204 /nfs/dbraw/zinc/07/72/04/994077204.db2.gz YCUGCUQHUVSWET-LLVKDONJSA-N 2 1 209.293 1.329 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000161711630 349489640 /nfs/dbraw/zinc/48/96/40/349489640.db2.gz GPYLKKFCILDCJS-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000161711630 349489644 /nfs/dbraw/zinc/48/96/44/349489644.db2.gz GPYLKKFCILDCJS-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000161711630 349489647 /nfs/dbraw/zinc/48/96/47/349489647.db2.gz GPYLKKFCILDCJS-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000161711630 349489652 /nfs/dbraw/zinc/48/96/52/349489652.db2.gz GPYLKKFCILDCJS-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1F ZINC000050559351 178000322 /nfs/dbraw/zinc/00/03/22/178000322.db2.gz UCLMXWDMFRCJBB-LBPRGKRZSA-N 2 1 222.307 1.915 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)on1 ZINC000367605568 178033436 /nfs/dbraw/zinc/03/34/36/178033436.db2.gz HGHRJPAZADTSJL-MJBXVCDLSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)on1 ZINC000367605568 178033441 /nfs/dbraw/zinc/03/34/41/178033441.db2.gz HGHRJPAZADTSJL-MJBXVCDLSA-N 2 1 249.358 1.945 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC000380077851 398183523 /nfs/dbraw/zinc/18/35/23/398183523.db2.gz ROJYELYAWCSJLO-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC000380077851 398183528 /nfs/dbraw/zinc/18/35/28/398183528.db2.gz ROJYELYAWCSJLO-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC000380077851 398183533 /nfs/dbraw/zinc/18/35/33/398183533.db2.gz ROJYELYAWCSJLO-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)([NH3+])C[NH2+]CCOc1ncccc1Cl ZINC000415094681 398160689 /nfs/dbraw/zinc/16/06/89/398160689.db2.gz XQNKRIZTSNUOMO-UHFFFAOYSA-N 2 1 243.738 1.441 20 0 BDADMP CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422976748 398160966 /nfs/dbraw/zinc/16/09/66/398160966.db2.gz IXLINWAGASNMSG-IRCOFANPSA-N 2 1 246.420 1.219 20 0 BDADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423020285 398161893 /nfs/dbraw/zinc/16/18/93/398161893.db2.gz ZSGXJDIITXAIEN-UHIISALHSA-N 2 1 249.358 1.960 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3cn[nH]c3)C[C@H]21 ZINC000379746316 398164132 /nfs/dbraw/zinc/16/41/32/398164132.db2.gz BWXGSPNMMFCIMZ-JHJVBQTASA-N 2 1 234.347 1.011 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342083906 398188091 /nfs/dbraw/zinc/18/80/91/398188091.db2.gz LCIKNKAGNJSAML-QEJZJMRPSA-N 2 1 245.370 1.828 20 0 BDADMP CN(C)c1nc(NCCC[NH2+]C2CC2)cc[nH+]1 ZINC000085432062 488171437 /nfs/dbraw/zinc/17/14/37/488171437.db2.gz ITRBLNCWOGIUKK-UHFFFAOYSA-N 2 1 235.335 1.097 20 0 BDADMP Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc[nH+]1 ZINC000278875997 178120689 /nfs/dbraw/zinc/12/06/89/178120689.db2.gz ZUZZKHDYXANLGS-TXEJJXNPSA-N 2 1 217.316 1.388 20 0 BDADMP Cn1c2ccccc2nc1CC[N@@H+](C)CCC[NH3+] ZINC000649410149 398209356 /nfs/dbraw/zinc/20/93/56/398209356.db2.gz UDOTTZJNYPHDAE-UHFFFAOYSA-N 2 1 246.358 1.396 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000386777392 398219732 /nfs/dbraw/zinc/21/97/32/398219732.db2.gz LMUGTOIPWIKYSH-CQSZACIVSA-N 2 1 248.374 1.185 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C ZINC000380980433 398216454 /nfs/dbraw/zinc/21/64/54/398216454.db2.gz CHGXLPNFZFJTGS-OLZOCXBDSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000380980433 398216458 /nfs/dbraw/zinc/21/64/58/398216458.db2.gz CHGXLPNFZFJTGS-OLZOCXBDSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1C ZINC000380980433 398216461 /nfs/dbraw/zinc/21/64/61/398216461.db2.gz CHGXLPNFZFJTGS-OLZOCXBDSA-N 2 1 228.380 1.562 20 0 BDADMP Cc1cc(NCC(C)(C)[NH+](C)C)nc(C)[nH+]1 ZINC000055372036 178156981 /nfs/dbraw/zinc/15/69/81/178156981.db2.gz HAFKLXPZEFPXGN-UHFFFAOYSA-N 2 1 222.336 1.846 20 0 BDADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCO)s1 ZINC000336763947 398219677 /nfs/dbraw/zinc/21/96/77/398219677.db2.gz MVEQTPSSOGHUFI-UHFFFAOYSA-N 2 1 243.376 1.067 20 0 BDADMP Cc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000050163687 178178374 /nfs/dbraw/zinc/17/83/74/178178374.db2.gz FGRIOCNSTJADHP-JQWIXIFHSA-N 2 1 234.347 1.893 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430557202 398228365 /nfs/dbraw/zinc/22/83/65/398228365.db2.gz SBOGVXAWMLFLSY-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)no1 ZINC000353596318 178224722 /nfs/dbraw/zinc/22/47/22/178224722.db2.gz NAVHBUKREVEKMX-LLVKDONJSA-N 2 1 241.335 1.212 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cncn1C ZINC000161986915 349528076 /nfs/dbraw/zinc/52/80/76/349528076.db2.gz MRFJUFSYBMNCCL-ZDUSSCGKSA-N 2 1 236.363 1.192 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000191896545 361817851 /nfs/dbraw/zinc/81/78/51/361817851.db2.gz SHRYXKAOLIKRGR-OLZOCXBDSA-N 2 1 228.380 1.279 20 0 BDADMP C[N@@H+](Cc1ccc(O)cc1)[C@@H]1CN2CCC1CC2 ZINC000381236997 398238938 /nfs/dbraw/zinc/23/89/38/398238938.db2.gz JRZLBPFKHSBNFA-OAHLLOKOSA-N 2 1 246.354 1.918 20 0 BDADMP CN(Cc1ccc(O)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000381236997 398238941 /nfs/dbraw/zinc/23/89/41/398238941.db2.gz JRZLBPFKHSBNFA-OAHLLOKOSA-N 2 1 246.354 1.918 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000252786298 136226807 /nfs/dbraw/zinc/22/68/07/136226807.db2.gz POGIJXCSSGIMQV-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP CCN1CCC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000252786298 136226808 /nfs/dbraw/zinc/22/68/08/136226808.db2.gz POGIJXCSSGIMQV-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP COC(C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000367212506 398249013 /nfs/dbraw/zinc/24/90/13/398249013.db2.gz RBXASGSZMBGABF-FOSCPWQOSA-N 2 1 242.363 1.162 20 0 BDADMP COC(C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000367212506 398249017 /nfs/dbraw/zinc/24/90/17/398249017.db2.gz RBXASGSZMBGABF-FOSCPWQOSA-N 2 1 242.363 1.162 20 0 BDADMP COC(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000367212506 398249019 /nfs/dbraw/zinc/24/90/19/398249019.db2.gz RBXASGSZMBGABF-FOSCPWQOSA-N 2 1 242.363 1.162 20 0 BDADMP COC(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000367212506 398249023 /nfs/dbraw/zinc/24/90/23/398249023.db2.gz RBXASGSZMBGABF-FOSCPWQOSA-N 2 1 242.363 1.162 20 0 BDADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCOC1 ZINC000344330988 365683811 /nfs/dbraw/zinc/68/38/11/365683811.db2.gz OIQVDRRYAOOOLT-UONOGXRCSA-N 2 1 238.375 1.653 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000180094988 538957419 /nfs/dbraw/zinc/95/74/19/538957419.db2.gz VJEMVTGJPKFKFR-JQWIXIFHSA-N 2 1 248.374 1.853 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCOC1 ZINC000165715760 361844590 /nfs/dbraw/zinc/84/45/90/361844590.db2.gz NDQKJRJJEWNJAQ-NSHDSACASA-N 2 1 200.326 1.095 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000335610919 136237099 /nfs/dbraw/zinc/23/70/99/136237099.db2.gz HCAXYXNUHMOGFA-AAEUAGOBSA-N 2 1 233.359 1.686 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000562280589 323014678 /nfs/dbraw/zinc/01/46/78/323014678.db2.gz DGPWQESEFRBNEA-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000166370543 398296824 /nfs/dbraw/zinc/29/68/24/398296824.db2.gz BCQBUUXAKQUQPI-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CCC(CC)C[NH2+]CCc1c[nH+]cn1C ZINC000389957090 539018921 /nfs/dbraw/zinc/01/89/21/539018921.db2.gz URFHDHVFVYDEPG-UHFFFAOYSA-N 2 1 209.337 1.988 20 0 BDADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000382156173 398307919 /nfs/dbraw/zinc/30/79/19/398307919.db2.gz RILCYBSFLDJYGJ-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631108460 342857225 /nfs/dbraw/zinc/85/72/25/342857225.db2.gz PLGHDHCILLLBOZ-UHFFFAOYSA-N 2 1 233.315 1.139 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000336478597 398319753 /nfs/dbraw/zinc/31/97/53/398319753.db2.gz UAHBIARNEINHPW-CABZTGNLSA-N 2 1 236.363 1.586 20 0 BDADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccsc1 ZINC000037482583 398328326 /nfs/dbraw/zinc/32/83/26/398328326.db2.gz VEDRADRRMPIGRS-UHFFFAOYSA-N 2 1 239.388 1.085 20 0 BDADMP CCOc1ccc([C@@H](C)[NH2+]CCN)cc1 ZINC000037712454 342943846 /nfs/dbraw/zinc/94/38/46/342943846.db2.gz UDFBRWRYNHIEHI-SNVBAGLBSA-N 2 1 208.305 1.695 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)o1 ZINC000628211001 398343245 /nfs/dbraw/zinc/34/32/45/398343245.db2.gz RWXWWDPRYYXDBS-NSHDSACASA-N 2 1 246.314 1.593 20 0 BDADMP CC(C)C[C@@H](C)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313354098 259334015 /nfs/dbraw/zinc/33/40/15/259334015.db2.gz QARRZMCEJUKDFR-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000335906771 136260928 /nfs/dbraw/zinc/26/09/28/136260928.db2.gz XSIXBNJVPBKGDY-JSGCOSHPSA-N 2 1 231.343 1.453 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224330295 259348030 /nfs/dbraw/zinc/34/80/30/259348030.db2.gz GPBHNMJSLRAQOT-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000383532136 362031559 /nfs/dbraw/zinc/03/15/59/362031559.db2.gz RGVKYRWUXGGQIG-GHMZBOCLSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000383532136 362031562 /nfs/dbraw/zinc/03/15/62/362031562.db2.gz RGVKYRWUXGGQIG-GHMZBOCLSA-N 2 1 235.331 1.259 20 0 BDADMP COC[C@H](C)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000120558930 343126934 /nfs/dbraw/zinc/12/69/34/343126934.db2.gz QBLMICHITYYFBT-GFCCVEGCSA-N 2 1 239.363 1.796 20 0 BDADMP COC[C@H](C)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000120558930 343126936 /nfs/dbraw/zinc/12/69/36/343126936.db2.gz QBLMICHITYYFBT-GFCCVEGCSA-N 2 1 239.363 1.796 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(C)C[C@@H]2CN)C1 ZINC000122474310 343159668 /nfs/dbraw/zinc/15/96/68/343159668.db2.gz JNIYBUIECVTBHO-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCN(C)C[C@@H]2CN)C1 ZINC000122474310 343159669 /nfs/dbraw/zinc/15/96/69/343159669.db2.gz JNIYBUIECVTBHO-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000124538686 343163027 /nfs/dbraw/zinc/16/30/27/343163027.db2.gz VRNUFPBQMMVNIJ-GXFFZTMASA-N 2 1 247.342 1.097 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000124538686 343163030 /nfs/dbraw/zinc/16/30/30/343163030.db2.gz VRNUFPBQMMVNIJ-GXFFZTMASA-N 2 1 247.342 1.097 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(CC(C)(C)[NH3+])CC[C@@H]21 ZINC000088091265 136284199 /nfs/dbraw/zinc/28/41/99/136284199.db2.gz QANFDHHARPRJOT-NEPJUHHUSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+]2CCCCC[C@@H]([NH3+])C2)O1 ZINC000634687918 343245651 /nfs/dbraw/zinc/24/56/51/343245651.db2.gz CXMLMCSGLYLOTI-UPJWGTAASA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCCCC[C@@H]([NH3+])C2)O1 ZINC000634687918 343245653 /nfs/dbraw/zinc/24/56/53/343245653.db2.gz CXMLMCSGLYLOTI-UPJWGTAASA-N 2 1 226.364 1.757 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000348757021 136297194 /nfs/dbraw/zinc/29/71/94/136297194.db2.gz SLPZSTJSJRYDPJ-AAEUAGOBSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000348757021 136297195 /nfs/dbraw/zinc/29/71/95/136297195.db2.gz SLPZSTJSJRYDPJ-AAEUAGOBSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000348757021 136297196 /nfs/dbraw/zinc/29/71/96/136297196.db2.gz SLPZSTJSJRYDPJ-AAEUAGOBSA-N 3 1 236.363 1.251 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCC1 ZINC000069804738 343291988 /nfs/dbraw/zinc/29/19/88/343291988.db2.gz LUZWGZUEQAPEQE-JQWIXIFHSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCSCC1 ZINC000335639520 136303231 /nfs/dbraw/zinc/30/32/31/136303231.db2.gz VIGJXCBXGJZTJB-ONGXEEELSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCSCC1 ZINC000335639509 136303260 /nfs/dbraw/zinc/30/32/60/136303260.db2.gz VIGJXCBXGJZTJB-KOLCDFICSA-N 2 1 214.378 1.470 20 0 BDADMP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000335651607 136305318 /nfs/dbraw/zinc/30/53/18/136305318.db2.gz XUOFBYDYPSVHPY-OLZOCXBDSA-N 2 1 216.328 1.668 20 0 BDADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@@H]1CCCOCC1)C2 ZINC000335673747 136317359 /nfs/dbraw/zinc/31/73/59/136317359.db2.gz GYXXDIOMCSNIJD-MNOVXSKESA-N 2 1 235.331 1.426 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@H](C)C1 ZINC000335675819 136318707 /nfs/dbraw/zinc/31/87/07/136318707.db2.gz PSLZWCZWKASMAT-BLYZHGLHSA-N 3 1 239.407 1.576 20 0 BDADMP CCN1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@H](C)C1 ZINC000335675819 136318708 /nfs/dbraw/zinc/31/87/08/136318708.db2.gz PSLZWCZWKASMAT-BLYZHGLHSA-N 2 1 239.407 1.576 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000570044474 323048210 /nfs/dbraw/zinc/04/82/10/323048210.db2.gz MGKLODLNCVKBBB-YUMQZZPRSA-N 2 1 211.309 1.507 20 0 BDADMP CC(C)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000258748482 136373778 /nfs/dbraw/zinc/37/37/78/136373778.db2.gz ABCIZYXGXAMYEV-CQSZACIVSA-N 2 1 236.359 1.561 20 0 BDADMP COC[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000083397879 343479967 /nfs/dbraw/zinc/47/99/67/343479967.db2.gz XEFUEEFQOLKWJC-GFCCVEGCSA-N 2 1 214.353 1.341 20 0 BDADMP CSCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602894652 349811781 /nfs/dbraw/zinc/81/17/81/349811781.db2.gz YQGHIYNAGCNBNQ-GFCCVEGCSA-N 2 1 246.420 1.128 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000230674152 343490334 /nfs/dbraw/zinc/49/03/34/343490334.db2.gz VRKSCPQFPRWGPP-DMOGRIERSA-N 2 1 212.337 1.236 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000230674152 343490337 /nfs/dbraw/zinc/49/03/37/343490337.db2.gz VRKSCPQFPRWGPP-DMOGRIERSA-N 2 1 212.337 1.236 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000398610765 488220441 /nfs/dbraw/zinc/22/04/41/488220441.db2.gz AVLOGCHNSZCMSH-ZDUSSCGKSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324889 343468277 /nfs/dbraw/zinc/46/82/77/343468277.db2.gz UCBXPFFQLGHLJE-NEPJUHHUSA-N 2 1 222.332 1.942 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000310482314 343509188 /nfs/dbraw/zinc/50/91/88/343509188.db2.gz DESQBSZSOUMMEX-BFHYXJOUSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000310482314 343509189 /nfs/dbraw/zinc/50/91/89/343509189.db2.gz DESQBSZSOUMMEX-BFHYXJOUSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000310482314 343509190 /nfs/dbraw/zinc/50/91/90/343509190.db2.gz DESQBSZSOUMMEX-BFHYXJOUSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000310482314 343509191 /nfs/dbraw/zinc/50/91/91/343509191.db2.gz DESQBSZSOUMMEX-BFHYXJOUSA-N 2 1 242.407 1.810 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000379944596 365755599 /nfs/dbraw/zinc/75/55/99/365755599.db2.gz ISZVXNYIAJWLRN-NWDGAFQWSA-N 2 1 216.369 1.587 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000379944596 365755603 /nfs/dbraw/zinc/75/56/03/365755603.db2.gz ISZVXNYIAJWLRN-NWDGAFQWSA-N 2 1 216.369 1.587 20 0 BDADMP CCC[C@@H]([NH3+])c1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165340 362248514 /nfs/dbraw/zinc/24/85/14/362248514.db2.gz BQVMHWKUHJQNCG-SNVBAGLBSA-N 2 1 246.318 1.104 20 0 BDADMP CCn1ccnc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000580564402 365781242 /nfs/dbraw/zinc/78/12/42/365781242.db2.gz XQSQKHFDNFUMLO-ZJUUUORDSA-N 2 1 210.325 1.118 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CO)C(C)C)CC1 ZINC000086120476 343610348 /nfs/dbraw/zinc/61/03/48/343610348.db2.gz VCFXJTRWMMBARV-GFCCVEGCSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)c1cccs1 ZINC000087619456 343654549 /nfs/dbraw/zinc/65/45/49/343654549.db2.gz BFSRWIIUPPALTF-JTQLQIEISA-N 2 1 224.373 1.977 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)OC)CC1 ZINC000132204351 133501283 /nfs/dbraw/zinc/50/12/83/133501283.db2.gz YVELIKKHFCZEKX-WDEREUQCSA-N 2 1 214.353 1.484 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000051251040 347005841 /nfs/dbraw/zinc/00/58/41/347005841.db2.gz AZBNJMXNZYUBMW-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccn1 ZINC000621775087 343898202 /nfs/dbraw/zinc/89/82/02/343898202.db2.gz FXCFZMPUZLEJBK-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC12CC2)C1CC1 ZINC000634724000 343922069 /nfs/dbraw/zinc/92/20/69/343922069.db2.gz HOACXQJODSMPOV-QWHCGFSZSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC12CC2)C1CC1 ZINC000634724000 343922071 /nfs/dbraw/zinc/92/20/71/343922071.db2.gz HOACXQJODSMPOV-QWHCGFSZSA-N 2 1 238.375 1.364 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000393733534 343922269 /nfs/dbraw/zinc/92/22/69/343922269.db2.gz LWXQKNVXHLSJFA-NWDGAFQWSA-N 2 1 216.369 1.275 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000393733534 343922271 /nfs/dbraw/zinc/92/22/71/343922271.db2.gz LWXQKNVXHLSJFA-NWDGAFQWSA-N 2 1 216.369 1.275 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)C ZINC000393733534 343922274 /nfs/dbraw/zinc/92/22/74/343922274.db2.gz LWXQKNVXHLSJFA-NWDGAFQWSA-N 2 1 216.369 1.275 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000393733534 343922276 /nfs/dbraw/zinc/92/22/76/343922276.db2.gz LWXQKNVXHLSJFA-NWDGAFQWSA-N 2 1 216.369 1.275 20 0 BDADMP Cn1c[nH+]cc1CCC[NH+](C1CC1)C1CC1 ZINC000625841082 344095068 /nfs/dbraw/zinc/09/50/68/344095068.db2.gz IIFUIVSJLYOSRM-UHFFFAOYSA-N 2 1 219.332 1.980 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])C(C)(C)C)n1 ZINC000570717998 323068289 /nfs/dbraw/zinc/06/82/89/323068289.db2.gz KGJSGMOPODCQSH-VXNVDRBHSA-N 2 1 226.324 1.266 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000086402313 344216724 /nfs/dbraw/zinc/21/67/24/344216724.db2.gz GEUWIUCEQLKVGE-QWHCGFSZSA-N 3 1 225.380 1.332 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000233457473 537842873 /nfs/dbraw/zinc/84/28/73/537842873.db2.gz QRDVSCADMZOUGC-PNESKVBLSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[NH2+]1 ZINC000634808189 344393159 /nfs/dbraw/zinc/39/31/59/344393159.db2.gz LSPKHDOBVYGNRH-RKDXNWHRSA-N 2 1 231.303 1.510 20 0 BDADMP Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2C)ccn1 ZINC000600930189 344398966 /nfs/dbraw/zinc/39/89/66/344398966.db2.gz XBJAFMWJZCYAAQ-GFCCVEGCSA-N 2 1 233.315 1.235 20 0 BDADMP C[C@H](C1CC1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000381261236 344491090 /nfs/dbraw/zinc/49/10/90/344491090.db2.gz RWQZBJKRNISTHR-ZWNOBZJWSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@H](C1CC1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000381261236 344491092 /nfs/dbraw/zinc/49/10/92/344491092.db2.gz RWQZBJKRNISTHR-ZWNOBZJWSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@H](C1CC1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381261236 344491093 /nfs/dbraw/zinc/49/10/93/344491093.db2.gz RWQZBJKRNISTHR-ZWNOBZJWSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@H](C1CC1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381261236 344491095 /nfs/dbraw/zinc/49/10/95/344491095.db2.gz RWQZBJKRNISTHR-ZWNOBZJWSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000381312328 344495184 /nfs/dbraw/zinc/49/51/84/344495184.db2.gz LXQJQXWPKQWJMG-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000336777840 537847726 /nfs/dbraw/zinc/84/77/26/537847726.db2.gz JRDFILJSTNYRNB-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)on1 ZINC000044531277 344541185 /nfs/dbraw/zinc/54/11/85/344541185.db2.gz QFFPSWDNQVSXNS-JTQLQIEISA-N 2 1 209.293 1.154 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)on1 ZINC000044531277 344541186 /nfs/dbraw/zinc/54/11/86/344541186.db2.gz QFFPSWDNQVSXNS-JTQLQIEISA-N 2 1 209.293 1.154 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)CCOC)CC1 ZINC000045037589 344554838 /nfs/dbraw/zinc/55/48/38/344554838.db2.gz DEODNGGOGNWPOF-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP COCC[N@H+](C)CCC[NH2+]C1CCCC1 ZINC000047892488 344582313 /nfs/dbraw/zinc/58/23/13/344582313.db2.gz WLFMMWAZNVRFDO-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C1CCCC1 ZINC000047892488 344582316 /nfs/dbraw/zinc/58/23/16/344582316.db2.gz WLFMMWAZNVRFDO-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H](C)COC ZINC000310010810 259379088 /nfs/dbraw/zinc/37/90/88/259379088.db2.gz IODCGGZBWJKYOA-OLZOCXBDSA-N 2 1 230.396 1.979 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H](C)COC ZINC000310010810 259379090 /nfs/dbraw/zinc/37/90/90/259379090.db2.gz IODCGGZBWJKYOA-OLZOCXBDSA-N 2 1 230.396 1.979 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000050193323 344731192 /nfs/dbraw/zinc/73/11/92/344731192.db2.gz DNHONCCQKXUWDI-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000382030638 347073635 /nfs/dbraw/zinc/07/36/35/347073635.db2.gz DGEJQYLXLBRLEN-RWMBFGLXSA-N 2 1 226.364 1.208 20 0 BDADMP Cc1ncc(CNC[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000628202118 344976200 /nfs/dbraw/zinc/97/62/00/344976200.db2.gz HNKBFIBQCBPDCJ-NSHDSACASA-N 2 1 235.331 1.557 20 0 BDADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154395852 345030499 /nfs/dbraw/zinc/03/04/99/345030499.db2.gz CIYTYAKMTKEBFK-RWMBFGLXSA-N 2 1 242.407 1.713 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074973 345123359 /nfs/dbraw/zinc/12/33/59/345123359.db2.gz DZQUXGUXGJWKFP-UONOGXRCSA-N 3 1 239.407 1.545 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H](C[NH3+])C(C)C ZINC000634996606 345189702 /nfs/dbraw/zinc/18/97/02/345189702.db2.gz PEBRTNNOTJPJAA-NWDGAFQWSA-N 3 1 215.385 1.180 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000156555184 345175589 /nfs/dbraw/zinc/17/55/89/345175589.db2.gz JDNMREHDHUXTKN-KPWCQOOUSA-N 3 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000156555184 345175591 /nfs/dbraw/zinc/17/55/91/345175591.db2.gz JDNMREHDHUXTKN-KPWCQOOUSA-N 3 1 239.407 1.541 20 0 BDADMP CN(C[C@H]1CCC[N@@H+](C)C1)CC12CC(C1)C[NH2+]2 ZINC000634992125 345179735 /nfs/dbraw/zinc/17/97/35/345179735.db2.gz FELIANYGQOWJCX-HSBZDZAISA-N 2 1 237.391 1.012 20 0 BDADMP C([N@@H+]1CCCC2(CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634995145 345183830 /nfs/dbraw/zinc/18/38/30/345183830.db2.gz WIHJKVNEFCOELD-UHFFFAOYSA-N 2 1 206.333 1.614 20 0 BDADMP C([N@H+]1CCCC2(CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634995145 345183832 /nfs/dbraw/zinc/18/38/32/345183832.db2.gz WIHJKVNEFCOELD-UHFFFAOYSA-N 2 1 206.333 1.614 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156154437 345133290 /nfs/dbraw/zinc/13/32/90/345133290.db2.gz INLSAKPEGBTRDC-JHJVBQTASA-N 2 1 226.364 1.364 20 0 BDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000156284018 345141658 /nfs/dbraw/zinc/14/16/58/345141658.db2.gz LHYDIUBINQPDCR-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCCC[C@H](N)C2)CC[NH2+]1 ZINC000634997210 345194547 /nfs/dbraw/zinc/19/45/47/345194547.db2.gz GDRBQMWEBXMWES-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@@H](CN2CCCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000634997210 345194549 /nfs/dbraw/zinc/19/45/49/345194549.db2.gz GDRBQMWEBXMWES-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@H](N)C2)CC[NH2+]1 ZINC000634997208 345194726 /nfs/dbraw/zinc/19/47/26/345194726.db2.gz GDRBQMWEBXMWES-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H](CN2CCCCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000634997208 345194728 /nfs/dbraw/zinc/19/47/28/345194728.db2.gz GDRBQMWEBXMWES-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCCC[C@@H](N)C2)CC[NH2+]1 ZINC000634997209 345194826 /nfs/dbraw/zinc/19/48/26/345194826.db2.gz GDRBQMWEBXMWES-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H](CN2CCCCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000634997209 345194827 /nfs/dbraw/zinc/19/48/27/345194827.db2.gz GDRBQMWEBXMWES-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@H]1C[NH3+] ZINC000634998602 345198161 /nfs/dbraw/zinc/19/81/61/345198161.db2.gz IFVKXWFXJCPTSG-OUAUKWLOSA-N 2 1 214.378 1.266 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)C[C@H]1C[NH3+] ZINC000634998670 345198362 /nfs/dbraw/zinc/19/83/62/345198362.db2.gz JFZBHEKDZQPQFS-VXGBXAGGSA-N 2 1 244.342 1.361 20 0 BDADMP Cc1ncsc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999576 345200796 /nfs/dbraw/zinc/20/07/96/345200796.db2.gz WNLWHCNXMNZYSB-WCBMZHEXSA-N 2 1 225.361 1.478 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000635000149 345201914 /nfs/dbraw/zinc/20/19/14/345201914.db2.gz ICFHSHMHMGJWRE-WCQYABFASA-N 2 1 234.343 1.722 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635012513 345214521 /nfs/dbraw/zinc/21/45/21/345214521.db2.gz MUUZYTPJYHFCSS-GJZGRUSLSA-N 2 1 246.354 1.729 20 0 BDADMP c1cc2n(n1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635012287 345214678 /nfs/dbraw/zinc/21/46/78/345214678.db2.gz LBUMMXDSLZLFQN-ZGVCCVRISA-N 2 1 246.358 1.591 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158468885 345336599 /nfs/dbraw/zinc/33/65/99/345336599.db2.gz NETAXUXTSYKSQU-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158468885 345336602 /nfs/dbraw/zinc/33/66/02/345336602.db2.gz NETAXUXTSYKSQU-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158468885 345336605 /nfs/dbraw/zinc/33/66/05/345336605.db2.gz NETAXUXTSYKSQU-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000158522743 345341669 /nfs/dbraw/zinc/34/16/69/345341669.db2.gz FYFNDIISHNPASG-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000158523142 345344464 /nfs/dbraw/zinc/34/44/64/345344464.db2.gz FYFNDIISHNPASG-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000159284808 345421797 /nfs/dbraw/zinc/42/17/97/345421797.db2.gz CZLCHKIHRUUVIA-CQSZACIVSA-N 2 1 241.338 1.729 20 0 BDADMP Nc1cnccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000641707596 362618663 /nfs/dbraw/zinc/61/86/63/362618663.db2.gz JJBDCQRHIJEXFX-QWHCGFSZSA-N 2 1 246.358 1.380 20 0 BDADMP Nc1cnccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000641707596 362618667 /nfs/dbraw/zinc/61/86/67/362618667.db2.gz JJBDCQRHIJEXFX-QWHCGFSZSA-N 2 1 246.358 1.380 20 0 BDADMP CCOC(=O)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000111824745 345690955 /nfs/dbraw/zinc/69/09/55/345690955.db2.gz LLYZJXKIGCUSRY-GFCCVEGCSA-N 2 1 240.347 1.014 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641720680 362637017 /nfs/dbraw/zinc/63/70/17/362637017.db2.gz NZJMDXFZXNQRFW-LLVKDONJSA-N 2 1 234.347 1.095 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641720680 362637019 /nfs/dbraw/zinc/63/70/19/362637019.db2.gz NZJMDXFZXNQRFW-LLVKDONJSA-N 2 1 234.347 1.095 20 0 BDADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000215643870 345742600 /nfs/dbraw/zinc/74/26/00/345742600.db2.gz FTRAIYJCIIQBOF-CYBMUJFWSA-N 2 1 230.355 1.978 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000250346120 537920941 /nfs/dbraw/zinc/92/09/41/537920941.db2.gz QLNCLPXQOMMNJI-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000381511930 346218068 /nfs/dbraw/zinc/21/80/68/346218068.db2.gz RIHWXCODHACHMC-RWMBFGLXSA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000381511930 346218070 /nfs/dbraw/zinc/21/80/70/346218070.db2.gz RIHWXCODHACHMC-RWMBFGLXSA-N 2 1 228.380 1.872 20 0 BDADMP C/C=C\C[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641749861 362671292 /nfs/dbraw/zinc/67/12/92/362671292.db2.gz YGVDQFAIPHEOPQ-ZFDPJTLLSA-N 2 1 249.358 1.564 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000051669514 179060618 /nfs/dbraw/zinc/06/06/18/179060618.db2.gz NZSXGLANLLTUHY-CQSZACIVSA-N 2 1 218.344 1.879 20 0 BDADMP Cc1cccc(CC[C@H](C)[NH2+]CC[NH3+])c1 ZINC000040500794 179060951 /nfs/dbraw/zinc/06/09/51/179060951.db2.gz GAAUCCBLCJSBFI-LBPRGKRZSA-N 2 1 206.333 1.864 20 0 BDADMP Cc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000039068440 179077934 /nfs/dbraw/zinc/07/79/34/179077934.db2.gz OHRZYQKMKYPGAF-ZDUSSCGKSA-N 2 1 204.317 1.918 20 0 BDADMP Cc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000039068440 179077936 /nfs/dbraw/zinc/07/79/36/179077936.db2.gz OHRZYQKMKYPGAF-ZDUSSCGKSA-N 2 1 204.317 1.918 20 0 BDADMP CCC(F)(F)C[NH+]1CCC(C[NH3+])CC1 ZINC000641795858 362736641 /nfs/dbraw/zinc/73/66/41/362736641.db2.gz ALZFLRCQVJJYEH-UHFFFAOYSA-N 2 1 206.280 1.702 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000641799800 362750304 /nfs/dbraw/zinc/75/03/04/362750304.db2.gz ZSBKUCLCULMGHW-KOLCDFICSA-N 2 1 237.347 1.715 20 0 BDADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000641797020 362741623 /nfs/dbraw/zinc/74/16/23/362741623.db2.gz PTMYSKZESJBWCN-LLVKDONJSA-N 2 1 237.347 1.716 20 0 BDADMP CCCc1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000641797020 362741624 /nfs/dbraw/zinc/74/16/24/362741624.db2.gz PTMYSKZESJBWCN-LLVKDONJSA-N 2 1 237.347 1.716 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000641799800 362750306 /nfs/dbraw/zinc/75/03/06/362750306.db2.gz ZSBKUCLCULMGHW-KOLCDFICSA-N 2 1 237.347 1.715 20 0 BDADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000158593869 346608246 /nfs/dbraw/zinc/60/82/46/346608246.db2.gz MHYJDWZOSZXQEO-WDEREUQCSA-N 2 1 216.394 1.669 20 0 BDADMP CC[N@H+]1CC[C@@H](NCc2c[nH]c3nccnc23)C1 ZINC000577161432 365848148 /nfs/dbraw/zinc/84/81/48/365848148.db2.gz RIWMNJUOTZIZRV-LLVKDONJSA-N 2 1 245.330 1.093 20 0 BDADMP COc1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107855736 187371790 /nfs/dbraw/zinc/37/17/90/187371790.db2.gz XDQPTXVVZVXLDC-OKILXGFUSA-N 2 1 246.354 1.389 20 0 BDADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000580328737 347164198 /nfs/dbraw/zinc/16/41/98/347164198.db2.gz CQWBZFMRAUWLSH-ZDUSSCGKSA-N 2 1 236.363 1.252 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000580328737 347164199 /nfs/dbraw/zinc/16/41/99/347164199.db2.gz CQWBZFMRAUWLSH-ZDUSSCGKSA-N 3 1 236.363 1.252 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000580328737 347164200 /nfs/dbraw/zinc/16/42/00/347164200.db2.gz CQWBZFMRAUWLSH-ZDUSSCGKSA-N 3 1 236.363 1.252 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)COC(C)C)CC1 ZINC000309645121 347129128 /nfs/dbraw/zinc/12/91/28/347129128.db2.gz MANOIPTWHMHYNK-LBPRGKRZSA-N 2 1 228.380 1.874 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334125 347226039 /nfs/dbraw/zinc/22/60/39/347226039.db2.gz IRQAYZHJKYWRBA-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP Cc1cccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358251466 179195788 /nfs/dbraw/zinc/19/57/88/179195788.db2.gz MFVSTBRKOUDHMQ-ZFWWWQNUSA-N 2 1 248.370 1.712 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000382384085 347301997 /nfs/dbraw/zinc/30/19/97/347301997.db2.gz KWUKGRHOVGOBNB-MELADBBJSA-N 2 1 240.391 1.741 20 0 BDADMP [NH3+]Cc1noc([C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000577220431 365888050 /nfs/dbraw/zinc/88/80/50/365888050.db2.gz GUZXWXQAPAKDAS-VGMNWLOBSA-N 2 1 222.292 1.122 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000577231798 365892715 /nfs/dbraw/zinc/89/27/15/365892715.db2.gz RCVBLLSWSCTAOV-OLZOCXBDSA-N 2 1 239.407 1.720 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn[nH]c1 ZINC000591700579 347690249 /nfs/dbraw/zinc/69/02/49/347690249.db2.gz LQKOQZIAGXCYLN-SNVBAGLBSA-N 2 1 233.319 1.341 20 0 BDADMP COC(=O)[C@H]([NH2+]CC1CC[NH2+]CC1)C(C)(C)C ZINC000592429546 347785101 /nfs/dbraw/zinc/78/51/01/347785101.db2.gz NLSZXGVTVMRFPQ-NSHDSACASA-N 2 1 242.363 1.163 20 0 BDADMP CCOC(=O)CC[N@@H+](CC1CC1)CC(C)(C)[NH3+] ZINC000592430771 347785629 /nfs/dbraw/zinc/78/56/29/347785629.db2.gz GGWVWSQGTCZDIX-UHFFFAOYSA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593729073 347937970 /nfs/dbraw/zinc/93/79/70/347937970.db2.gz FFQDETIWYQRYGR-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000357027189 179318758 /nfs/dbraw/zinc/31/87/58/179318758.db2.gz KKDDLPBBDZANPK-CYBMUJFWSA-N 2 1 236.359 1.963 20 0 BDADMP C1C[C@@H]([N@H+]2C[C@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CO1 ZINC000371464049 187385277 /nfs/dbraw/zinc/38/52/77/187385277.db2.gz NXWCKYBZTHVKSX-YIYPIFLZSA-N 2 1 236.359 1.191 20 0 BDADMP C1C[C@@H]([NH+]2C[C@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CO1 ZINC000371464049 187385279 /nfs/dbraw/zinc/38/52/79/187385279.db2.gz NXWCKYBZTHVKSX-YIYPIFLZSA-N 2 1 236.359 1.191 20 0 BDADMP C1C[C@@H]([NH+]2C[C@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CO1 ZINC000371464049 187385281 /nfs/dbraw/zinc/38/52/81/187385281.db2.gz NXWCKYBZTHVKSX-YIYPIFLZSA-N 2 1 236.359 1.191 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)C ZINC000308483208 323174919 /nfs/dbraw/zinc/17/49/19/323174919.db2.gz MJXRCERDGLLKAD-NSHDSACASA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)C ZINC000308483208 323174920 /nfs/dbraw/zinc/17/49/20/323174920.db2.gz MJXRCERDGLLKAD-NSHDSACASA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)C(C)C ZINC000308483208 323174921 /nfs/dbraw/zinc/17/49/21/323174921.db2.gz MJXRCERDGLLKAD-NSHDSACASA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C(C)C ZINC000308483208 323174922 /nfs/dbraw/zinc/17/49/22/323174922.db2.gz MJXRCERDGLLKAD-NSHDSACASA-N 2 1 202.342 1.029 20 0 BDADMP CN(C)[C@@H](C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000038040617 348032717 /nfs/dbraw/zinc/03/27/17/348032717.db2.gz TUWHQBHPMQZSNW-HNNXBMFYSA-N 2 1 247.386 1.631 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000304326913 187387492 /nfs/dbraw/zinc/38/74/92/187387492.db2.gz UKZVGZUHFZTIGP-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)(C)[C@H](CCO)[NH2+]Cc1c[nH]cn1 ZINC000193386496 187391942 /nfs/dbraw/zinc/39/19/42/187391942.db2.gz RVVCOJGLBOLYSP-JTQLQIEISA-N 2 1 211.309 1.296 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000419288403 192118317 /nfs/dbraw/zinc/11/83/17/192118317.db2.gz PNFQDAUKDOYBKZ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OC ZINC000419288403 192118319 /nfs/dbraw/zinc/11/83/19/192118319.db2.gz PNFQDAUKDOYBKZ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)OC ZINC000419288403 192118320 /nfs/dbraw/zinc/11/83/20/192118320.db2.gz PNFQDAUKDOYBKZ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336737789 187393620 /nfs/dbraw/zinc/39/36/20/187393620.db2.gz JRNWDGQNTHPWOD-AGIUHOORSA-N 2 1 227.396 1.114 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336737789 187393622 /nfs/dbraw/zinc/39/36/22/187393622.db2.gz JRNWDGQNTHPWOD-AGIUHOORSA-N 3 1 227.396 1.114 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336737789 187393623 /nfs/dbraw/zinc/39/36/23/187393623.db2.gz JRNWDGQNTHPWOD-AGIUHOORSA-N 3 1 227.396 1.114 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000336784906 187393837 /nfs/dbraw/zinc/39/38/37/187393837.db2.gz ADMFGSCTYPHCQX-YNEHKIRRSA-N 2 1 249.358 1.595 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000128626519 187395894 /nfs/dbraw/zinc/39/58/94/187395894.db2.gz LDRCCSUBWPXCCT-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503783 362927162 /nfs/dbraw/zinc/92/71/62/362927162.db2.gz NRVFHLGCOVXZSB-WDEREUQCSA-N 2 1 214.353 1.484 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595903617 348395432 /nfs/dbraw/zinc/39/54/32/348395432.db2.gz PTQDTOSVIPLGGF-UHFFFAOYSA-N 2 1 240.347 1.143 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595903617 348395435 /nfs/dbraw/zinc/39/54/35/348395435.db2.gz PTQDTOSVIPLGGF-UHFFFAOYSA-N 2 1 240.347 1.143 20 0 BDADMP CCSCC[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000595907453 348397150 /nfs/dbraw/zinc/39/71/50/348397150.db2.gz UPSXSIQNWLCOBE-RKDXNWHRSA-N 2 1 206.330 1.111 20 0 BDADMP CCSCC[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000595907453 348397155 /nfs/dbraw/zinc/39/71/55/348397155.db2.gz UPSXSIQNWLCOBE-RKDXNWHRSA-N 2 1 206.330 1.111 20 0 BDADMP CC(C)c1cc(N2CC[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420166408 192167251 /nfs/dbraw/zinc/16/72/51/192167251.db2.gz IBSPMXJNKXDRSV-JTQLQIEISA-N 2 1 249.362 1.203 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCCCCO)CC1(C)C ZINC000623510406 362935537 /nfs/dbraw/zinc/93/55/37/362935537.db2.gz WJDOGIAXWJRPII-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC1(C)C ZINC000628301718 349077005 /nfs/dbraw/zinc/07/70/05/349077005.db2.gz DFKKGWPUQNFCSU-JHJVBQTASA-N 2 1 240.391 1.610 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000165164857 490232742 /nfs/dbraw/zinc/23/27/42/490232742.db2.gz YRVYUGGXOUBWOH-RYUDHWBXSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H](CF)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526004 362945398 /nfs/dbraw/zinc/94/53/98/362945398.db2.gz GMLSLHNYGSHWLM-ZJUUUORDSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@H](CF)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623526004 362945402 /nfs/dbraw/zinc/94/54/02/362945402.db2.gz GMLSLHNYGSHWLM-ZJUUUORDSA-N 2 1 202.317 1.807 20 0 BDADMP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000309045594 349402420 /nfs/dbraw/zinc/40/24/20/349402420.db2.gz OIRYCBVMCXLEEA-RYUDHWBXSA-N 2 1 212.337 1.238 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000132427946 191033475 /nfs/dbraw/zinc/03/34/75/191033475.db2.gz MTHINVHAJPAYTJ-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000132202520 191027367 /nfs/dbraw/zinc/02/73/67/191027367.db2.gz BEGTZJXBQRNZQZ-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000309195226 350167346 /nfs/dbraw/zinc/16/73/46/350167346.db2.gz AHLIJIMWHQHCPL-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@@H]1C ZINC000309195226 350167348 /nfs/dbraw/zinc/16/73/48/350167348.db2.gz AHLIJIMWHQHCPL-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@@H]1C ZINC000309195226 350167352 /nfs/dbraw/zinc/16/73/52/350167352.db2.gz AHLIJIMWHQHCPL-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000309195226 350167356 /nfs/dbraw/zinc/16/73/56/350167356.db2.gz AHLIJIMWHQHCPL-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000309195226 350167358 /nfs/dbraw/zinc/16/73/58/350167358.db2.gz AHLIJIMWHQHCPL-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000336705953 180238662 /nfs/dbraw/zinc/23/86/62/180238662.db2.gz UHOWWMYLNNDYJI-IHRRRGAJSA-N 2 1 249.358 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000336705953 180238664 /nfs/dbraw/zinc/23/86/64/180238664.db2.gz UHOWWMYLNNDYJI-IHRRRGAJSA-N 2 1 249.358 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1C[C@H]1C ZINC000309117030 180245710 /nfs/dbraw/zinc/24/57/10/180245710.db2.gz LYACHKFHCDYIBA-PWSUYJOCSA-N 2 1 207.321 1.827 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000285421652 180247243 /nfs/dbraw/zinc/24/72/43/180247243.db2.gz BWCXOFJKVXNUKV-ZYHUDNBSSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CCC1CC1 ZINC000270870253 180247614 /nfs/dbraw/zinc/24/76/14/180247614.db2.gz LRJUMAKGIBSNLC-UHFFFAOYSA-N 2 1 207.321 1.923 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CCC1CC1 ZINC000270870253 180247616 /nfs/dbraw/zinc/24/76/16/180247616.db2.gz LRJUMAKGIBSNLC-UHFFFAOYSA-N 2 1 207.321 1.923 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000285421648 180248269 /nfs/dbraw/zinc/24/82/69/180248269.db2.gz BWCXOFJKVXNUKV-JQWIXIFHSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)O)C(C)C ZINC000336685680 180250169 /nfs/dbraw/zinc/25/01/69/180250169.db2.gz VMKMBBGSEIVGHB-LLVKDONJSA-N 2 1 225.336 1.283 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)O)C(C)C ZINC000336685680 180250172 /nfs/dbraw/zinc/25/01/72/180250172.db2.gz VMKMBBGSEIVGHB-LLVKDONJSA-N 2 1 225.336 1.283 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCSC1 ZINC000270868682 180250194 /nfs/dbraw/zinc/25/01/94/180250194.db2.gz LHXFQYWJUUOEMO-NSHDSACASA-N 2 1 225.361 1.629 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCSC1 ZINC000270868682 180250195 /nfs/dbraw/zinc/25/01/95/180250195.db2.gz LHXFQYWJUUOEMO-NSHDSACASA-N 2 1 225.361 1.629 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000336705659 180250807 /nfs/dbraw/zinc/25/08/07/180250807.db2.gz NTANPDWNNYQLQB-QWHCGFSZSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000336705659 180250810 /nfs/dbraw/zinc/25/08/10/180250810.db2.gz NTANPDWNNYQLQB-QWHCGFSZSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336615339 180251620 /nfs/dbraw/zinc/25/16/20/180251620.db2.gz MNAFTFLKZNZBBX-ZIAGYGMSSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336615339 180251623 /nfs/dbraw/zinc/25/16/23/180251623.db2.gz MNAFTFLKZNZBBX-ZIAGYGMSSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccco1 ZINC000299071087 180252756 /nfs/dbraw/zinc/25/27/56/180252756.db2.gz WAVBGRGOGAQTQR-UHFFFAOYSA-N 2 1 219.288 1.917 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccco1 ZINC000299071087 180252758 /nfs/dbraw/zinc/25/27/58/180252758.db2.gz WAVBGRGOGAQTQR-UHFFFAOYSA-N 2 1 219.288 1.917 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000336712372 180253871 /nfs/dbraw/zinc/25/38/71/180253871.db2.gz OIOUZLFAJOUIHL-KGLIPLIRSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000336712372 180253874 /nfs/dbraw/zinc/25/38/74/180253874.db2.gz OIOUZLFAJOUIHL-KGLIPLIRSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000336712373 180256534 /nfs/dbraw/zinc/25/65/34/180256534.db2.gz OIOUZLFAJOUIHL-UONOGXRCSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000336712373 180256538 /nfs/dbraw/zinc/25/65/38/180256538.db2.gz OIOUZLFAJOUIHL-UONOGXRCSA-N 2 1 249.358 1.550 20 0 BDADMP COCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428995486 191087571 /nfs/dbraw/zinc/08/75/71/191087571.db2.gz HHWDWDFIKKZGPA-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428995486 191087574 /nfs/dbraw/zinc/08/75/74/191087574.db2.gz HHWDWDFIKKZGPA-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428995486 191087576 /nfs/dbraw/zinc/08/75/76/191087576.db2.gz HHWDWDFIKKZGPA-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](O)CC1 ZINC000339792572 180240199 /nfs/dbraw/zinc/24/01/99/180240199.db2.gz QGJIRJASLPFLHR-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](O)CC1 ZINC000339792572 180240201 /nfs/dbraw/zinc/24/02/01/180240201.db2.gz QGJIRJASLPFLHR-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000336705955 180240797 /nfs/dbraw/zinc/24/07/97/180240797.db2.gz UHOWWMYLNNDYJI-MJBXVCDLSA-N 2 1 249.358 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000336705955 180240800 /nfs/dbraw/zinc/24/08/00/180240800.db2.gz UHOWWMYLNNDYJI-MJBXVCDLSA-N 2 1 249.358 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCOCC[C@H]1C ZINC000367724998 180241465 /nfs/dbraw/zinc/24/14/65/180241465.db2.gz QTEPRGTYJWJJSP-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOCC[C@H]1C ZINC000367724998 180241468 /nfs/dbraw/zinc/24/14/68/180241468.db2.gz QTEPRGTYJWJJSP-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1CCSC1 ZINC000278415297 180244247 /nfs/dbraw/zinc/24/42/47/180244247.db2.gz PUYIPXOFNZEPJP-GFCCVEGCSA-N 2 1 239.388 1.924 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CCSC ZINC000309292293 350255639 /nfs/dbraw/zinc/25/56/39/350255639.db2.gz WBXYJNZGBOGEJE-NWDGAFQWSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)CCSC ZINC000309292293 350255648 /nfs/dbraw/zinc/25/56/48/350255648.db2.gz WBXYJNZGBOGEJE-NWDGAFQWSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CCSC ZINC000309292293 350255650 /nfs/dbraw/zinc/25/56/50/350255650.db2.gz WBXYJNZGBOGEJE-NWDGAFQWSA-N 2 1 248.436 1.372 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc[nH]c1 ZINC000267927988 180260830 /nfs/dbraw/zinc/26/08/30/180260830.db2.gz LKEYYIRHQIYCOD-UHFFFAOYSA-N 2 1 204.277 1.309 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000268780621 180262966 /nfs/dbraw/zinc/26/29/66/180262966.db2.gz CDAJVEWBQLRHLS-SNVBAGLBSA-N 2 1 233.319 1.276 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000422780172 192464942 /nfs/dbraw/zinc/46/49/42/192464942.db2.gz GZSSBELRURBWOP-ZIAGYGMSSA-N 3 1 239.407 1.450 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305619737 490466539 /nfs/dbraw/zinc/46/65/39/490466539.db2.gz GYWBONJPTBLIBQ-CYBMUJFWSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)C1CC1 ZINC000305619737 490466543 /nfs/dbraw/zinc/46/65/43/490466543.db2.gz GYWBONJPTBLIBQ-CYBMUJFWSA-N 2 1 237.347 1.284 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000427888948 191099623 /nfs/dbraw/zinc/09/96/23/191099623.db2.gz ZBRHOTVRXYRTCK-JHJVBQTASA-N 2 1 248.374 1.270 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3ccnc3C2)CC[N@H+]1C ZINC000427888948 191099627 /nfs/dbraw/zinc/09/96/27/191099627.db2.gz ZBRHOTVRXYRTCK-JHJVBQTASA-N 2 1 248.374 1.270 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000328533469 350402199 /nfs/dbraw/zinc/40/21/99/350402199.db2.gz YZVWXVLQSKAWSK-BFHYXJOUSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000328533471 350402363 /nfs/dbraw/zinc/40/23/63/350402363.db2.gz YZVWXVLQSKAWSK-MGPQQGTHSA-N 2 1 242.407 1.843 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CC(C)(C)O)CC[C@H]21 ZINC000227342847 350493227 /nfs/dbraw/zinc/49/32/27/350493227.db2.gz GGQHODPQEGBCAE-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(C)(C)O)CC[C@H]21 ZINC000227342847 350493231 /nfs/dbraw/zinc/49/32/31/350493231.db2.gz GGQHODPQEGBCAE-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCC2(CO)CC2)CC1(C)C ZINC000623540647 362958747 /nfs/dbraw/zinc/95/87/47/362958747.db2.gz AMDZZLKPAJUCRM-GFCCVEGCSA-N 2 1 240.391 1.611 20 0 BDADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)COC1 ZINC000623541430 362959451 /nfs/dbraw/zinc/95/94/51/362959451.db2.gz IYHRJZVNXJGINV-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)COC1 ZINC000623541429 362959711 /nfs/dbraw/zinc/95/97/11/362959711.db2.gz IYHRJZVNXJGINV-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP CCc1cnc(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000577496555 365969128 /nfs/dbraw/zinc/96/91/28/365969128.db2.gz LTKSHPHMWJPZOZ-UHFFFAOYSA-N 2 1 223.320 1.408 20 0 BDADMP CC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)COC1 ZINC000070616970 350549961 /nfs/dbraw/zinc/54/99/61/350549961.db2.gz QXCMVNUMKBSSFF-NSHDSACASA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000261768574 535146546 /nfs/dbraw/zinc/14/65/46/535146546.db2.gz DNYLDQWVODPACA-NSHDSACASA-N 2 1 222.336 1.245 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000261768574 535146551 /nfs/dbraw/zinc/14/65/51/535146551.db2.gz DNYLDQWVODPACA-NSHDSACASA-N 2 1 222.336 1.245 20 0 BDADMP CC(C)CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000338789798 350712884 /nfs/dbraw/zinc/71/28/84/350712884.db2.gz IFXHDRKPGLTLDB-KBPBESRZSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnn2C)[C@H](C)C1 ZINC000177561420 366008181 /nfs/dbraw/zinc/00/81/81/366008181.db2.gz ZLKFTMQLYDLUSO-YPMHNXCESA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnn2C)[C@H](C)C1 ZINC000177561420 366008185 /nfs/dbraw/zinc/00/81/85/366008185.db2.gz ZLKFTMQLYDLUSO-YPMHNXCESA-N 2 1 236.363 1.240 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)CCF)CC1(C)C ZINC000623560500 362985752 /nfs/dbraw/zinc/98/57/52/362985752.db2.gz IFWFECYIKLEJBE-GHMZBOCLSA-N 2 1 232.343 1.169 20 0 BDADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000404897705 363071674 /nfs/dbraw/zinc/07/16/74/363071674.db2.gz HMPINXKTNGHOOV-DZGCQCFKSA-N 2 1 247.386 1.862 20 0 BDADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)CC1CCOCC1 ZINC000414791153 351773244 /nfs/dbraw/zinc/77/32/44/351773244.db2.gz AZLFGFYGXZOVJF-FZMZJTMJSA-N 2 1 240.391 1.766 20 0 BDADMP COCC1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC000638088355 351965339 /nfs/dbraw/zinc/96/53/39/351965339.db2.gz AEBKBFDPIVFCHX-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP COCC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC000638088355 351965343 /nfs/dbraw/zinc/96/53/43/351965343.db2.gz AEBKBFDPIVFCHX-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP CC[NH2+][C@@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000638134402 352003021 /nfs/dbraw/zinc/00/30/21/352003021.db2.gz OWIVICQSWVNSCP-VIFPVBQESA-N 2 1 236.319 1.084 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638382128 352193809 /nfs/dbraw/zinc/19/38/09/352193809.db2.gz SIFCAXFFHIWBIM-FQUUOJAGSA-N 2 1 222.376 1.964 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CCC[C@@H]1CCO1 ZINC000638385658 352194495 /nfs/dbraw/zinc/19/44/95/352194495.db2.gz IGHMORDDEDRPRI-CYBMUJFWSA-N 2 1 237.347 1.740 20 0 BDADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)C[C@H]1CCO1 ZINC000638322154 352144571 /nfs/dbraw/zinc/14/45/71/352144571.db2.gz VPDOSFIPTLOZEL-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]CCC[C@@H]1CCO1 ZINC000638719142 352564987 /nfs/dbraw/zinc/56/49/87/352564987.db2.gz BRJZNCDMLKQBKE-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]CCC[C@@H]1CCO1 ZINC000638719142 352564989 /nfs/dbraw/zinc/56/49/89/352564989.db2.gz BRJZNCDMLKQBKE-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000229284277 352750162 /nfs/dbraw/zinc/75/01/62/352750162.db2.gz SILFRYXBLCPAKC-JTQLQIEISA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000229284277 352750166 /nfs/dbraw/zinc/75/01/66/352750166.db2.gz SILFRYXBLCPAKC-JTQLQIEISA-N 2 1 200.351 1.163 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334227468 352821877 /nfs/dbraw/zinc/82/18/77/352821877.db2.gz GBDBSUIZKSTPAH-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334227468 352821881 /nfs/dbraw/zinc/82/18/81/352821881.db2.gz GBDBSUIZKSTPAH-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(C)(C)O)C2)C1 ZINC000334269979 352906366 /nfs/dbraw/zinc/90/63/66/352906366.db2.gz RIVVWUBDFWHKCE-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21)OC ZINC000638918768 353083101 /nfs/dbraw/zinc/08/31/01/353083101.db2.gz TWFGPDYOHGTXES-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356746705 188065336 /nfs/dbraw/zinc/06/53/36/188065336.db2.gz RJOUPYSNORRCIH-LBPRGKRZSA-N 2 1 243.395 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000356746705 188065337 /nfs/dbraw/zinc/06/53/37/188065337.db2.gz RJOUPYSNORRCIH-LBPRGKRZSA-N 2 1 243.395 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000356746705 188065339 /nfs/dbraw/zinc/06/53/39/188065339.db2.gz RJOUPYSNORRCIH-LBPRGKRZSA-N 2 1 243.395 1.172 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000357022734 188066451 /nfs/dbraw/zinc/06/64/51/188066451.db2.gz BTIHKGOBRACICP-OAHLLOKOSA-N 2 1 248.370 1.669 20 0 BDADMP Cc1cnc(CC[NH2+]C2CC[NH+](C)CC2)nc1 ZINC000358377777 188067124 /nfs/dbraw/zinc/06/71/24/188067124.db2.gz UDAZOFURKMRSOA-UHFFFAOYSA-N 2 1 234.347 1.011 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000358665190 188067942 /nfs/dbraw/zinc/06/79/42/188067942.db2.gz VQMQEUUWUVYRCI-MCIONIFRSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccnc1 ZINC000049330102 188086659 /nfs/dbraw/zinc/08/66/59/188086659.db2.gz DAXFMPFIFOSYNM-LLVKDONJSA-N 2 1 230.315 1.937 20 0 BDADMP Cc1cccc(NC2CC[NH+](C[C@@H](C)O)CC2)[nH+]1 ZINC000369389205 188073934 /nfs/dbraw/zinc/07/39/34/188073934.db2.gz MLVFYZQWQGFQAR-GFCCVEGCSA-N 2 1 249.358 1.647 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCCO)CC1 ZINC000303368867 188075479 /nfs/dbraw/zinc/07/54/79/188075479.db2.gz JCQDPZDWZJIOTR-UHFFFAOYSA-N 2 1 242.407 1.954 20 0 BDADMP CC(C)[C@H](C[NH2+]C1CCOCC1)[NH+]1CCCC1 ZINC000036304516 188082222 /nfs/dbraw/zinc/08/22/22/188082222.db2.gz MRPRPAGPEVAPBW-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CC[N@@H+]1C ZINC000129520116 188085802 /nfs/dbraw/zinc/08/58/02/188085802.db2.gz ZNAWAEVKCQSJIF-IGJPJIBNSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CC[N@H+]1C ZINC000129520116 188085803 /nfs/dbraw/zinc/08/58/03/188085803.db2.gz ZNAWAEVKCQSJIF-IGJPJIBNSA-N 2 1 226.364 1.362 20 0 BDADMP C1=CCN(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355569185 188098129 /nfs/dbraw/zinc/09/81/29/188098129.db2.gz QISSATSEUZNSFC-GJZGRUSLSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[N@H+](CCN[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000355569185 188098130 /nfs/dbraw/zinc/09/81/30/188098130.db2.gz QISSATSEUZNSFC-GJZGRUSLSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[N@@H+](CCN[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000355569185 188098132 /nfs/dbraw/zinc/09/81/32/188098132.db2.gz QISSATSEUZNSFC-GJZGRUSLSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[NH+](CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355569185 188098134 /nfs/dbraw/zinc/09/81/34/188098134.db2.gz QISSATSEUZNSFC-GJZGRUSLSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[NH+](CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355569185 188098136 /nfs/dbraw/zinc/09/81/36/188098136.db2.gz QISSATSEUZNSFC-GJZGRUSLSA-N 2 1 249.402 1.465 20 0 BDADMP C1C[NH2+]C[C@H]([NH2+]C2CCSCC2)C1 ZINC000220686843 188109931 /nfs/dbraw/zinc/10/99/31/188109931.db2.gz JQNPTYCNBZQSJK-SNVBAGLBSA-N 2 1 200.351 1.224 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000300366728 188156697 /nfs/dbraw/zinc/15/66/97/188156697.db2.gz FWPKUXLHASIMMX-QWHCGFSZSA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000300366728 188156699 /nfs/dbraw/zinc/15/66/99/188156699.db2.gz FWPKUXLHASIMMX-QWHCGFSZSA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000300366728 188156701 /nfs/dbraw/zinc/15/67/01/188156701.db2.gz FWPKUXLHASIMMX-QWHCGFSZSA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)[N@@H+](C)CCCNCc1ccncc1 ZINC000163628748 188160468 /nfs/dbraw/zinc/16/04/68/188160468.db2.gz XGYCJFHQDZJHDN-UHFFFAOYSA-N 2 1 221.348 1.902 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccncc1 ZINC000163628748 188160470 /nfs/dbraw/zinc/16/04/70/188160470.db2.gz XGYCJFHQDZJHDN-UHFFFAOYSA-N 2 1 221.348 1.902 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccncc1 ZINC000163628748 188160472 /nfs/dbraw/zinc/16/04/72/188160472.db2.gz XGYCJFHQDZJHDN-UHFFFAOYSA-N 2 1 221.348 1.902 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)COCC1 ZINC000336596081 188162601 /nfs/dbraw/zinc/16/26/01/188162601.db2.gz AENXCVRYCUGLAC-UONOGXRCSA-N 2 1 236.359 1.550 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)COCC1 ZINC000336596081 188162603 /nfs/dbraw/zinc/16/26/03/188162603.db2.gz AENXCVRYCUGLAC-UONOGXRCSA-N 2 1 236.359 1.550 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000309267328 188166799 /nfs/dbraw/zinc/16/67/99/188166799.db2.gz RIHWXCODHACHMC-AGIUHOORSA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000309267328 188166801 /nfs/dbraw/zinc/16/68/01/188166801.db2.gz RIHWXCODHACHMC-AGIUHOORSA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)C[C@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309324249 188167756 /nfs/dbraw/zinc/16/77/56/188167756.db2.gz FYFWHBJWACJRSG-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)C[C@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309324249 188167758 /nfs/dbraw/zinc/16/77/58/188167758.db2.gz FYFWHBJWACJRSG-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP C=Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000194354476 188174891 /nfs/dbraw/zinc/17/48/91/188174891.db2.gz CAXGLDYRHQXDKI-KBPBESRZSA-N 2 1 248.374 1.946 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCC)C2)cn1 ZINC000194255782 188175784 /nfs/dbraw/zinc/17/57/84/188175784.db2.gz QALNLAHVYYRMEG-ZDUSSCGKSA-N 2 1 248.374 1.805 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCC)C2)cn1 ZINC000194255782 188175785 /nfs/dbraw/zinc/17/57/85/188175785.db2.gz QALNLAHVYYRMEG-ZDUSSCGKSA-N 2 1 248.374 1.805 20 0 BDADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245286 188219580 /nfs/dbraw/zinc/21/95/80/188219580.db2.gz HRDYZOOMXYWRBI-ZDUSSCGKSA-N 2 1 247.342 1.426 20 0 BDADMP C=Cn1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000278499406 188204471 /nfs/dbraw/zinc/20/44/71/188204471.db2.gz NIEDGBFZBNVGIU-KBPBESRZSA-N 2 1 246.358 1.510 20 0 BDADMP c1cnn([C@H]2CC[N@H+](CCn3ccnc3)C2)c1 ZINC000291371635 188211299 /nfs/dbraw/zinc/21/12/99/188211299.db2.gz AIEOOOMOYGSNQP-LBPRGKRZSA-N 2 1 231.303 1.027 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336388480 188229290 /nfs/dbraw/zinc/22/92/90/188229290.db2.gz OMFQOEBLCBIBBB-CQSZACIVSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000336409221 188230126 /nfs/dbraw/zinc/23/01/26/188230126.db2.gz JBAQKASGQFDHIG-YPMHNXCESA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000336409221 188230128 /nfs/dbraw/zinc/23/01/28/188230128.db2.gz JBAQKASGQFDHIG-YPMHNXCESA-N 2 1 224.348 1.097 20 0 BDADMP CC1CCC(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000085282360 538116093 /nfs/dbraw/zinc/11/60/93/538116093.db2.gz ODMVQPVKHQBGKB-LLZFXZEUSA-N 2 1 222.376 1.964 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CSC1 ZINC000308974221 491050992 /nfs/dbraw/zinc/05/09/92/491050992.db2.gz GBZQXWLZJGRXPS-SECBINFHSA-N 2 1 225.361 1.533 20 0 BDADMP FC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000308876291 353586691 /nfs/dbraw/zinc/58/66/91/353586691.db2.gz NLDSNOOUXARUPW-JTQLQIEISA-N 2 1 212.312 1.562 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CC3CCSCC3)C[C@@H]2C1 ZINC000639113219 353710521 /nfs/dbraw/zinc/71/05/21/353710521.db2.gz LDRYDUKZCRZEFB-BETUJISGSA-N 2 1 240.416 1.623 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCSCC3)C[C@@H]2C1 ZINC000639113219 353710525 /nfs/dbraw/zinc/71/05/25/353710525.db2.gz LDRYDUKZCRZEFB-BETUJISGSA-N 2 1 240.416 1.623 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCSCC3)C[C@@H]2C1 ZINC000639113219 353710529 /nfs/dbraw/zinc/71/05/29/353710529.db2.gz LDRYDUKZCRZEFB-BETUJISGSA-N 2 1 240.416 1.623 20 0 BDADMP CC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083847077 353780666 /nfs/dbraw/zinc/78/06/66/353780666.db2.gz UGYUDKIMBYTRDC-WVMKXHBISA-N 2 1 226.364 1.362 20 0 BDADMP CO[C@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000393861534 353987058 /nfs/dbraw/zinc/98/70/58/353987058.db2.gz IPMZUTZLBWHWPK-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000630078810 363283654 /nfs/dbraw/zinc/28/36/54/363283654.db2.gz VRUQBEIOUIAJGQ-RKDXNWHRSA-N 2 1 211.334 1.170 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000630078810 363283657 /nfs/dbraw/zinc/28/36/57/363283657.db2.gz VRUQBEIOUIAJGQ-RKDXNWHRSA-N 2 1 211.334 1.170 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@@H]2CCC[C@H]21 ZINC000343980372 354057875 /nfs/dbraw/zinc/05/78/75/354057875.db2.gz IXZCQJASWFEMET-ZOBORPQBSA-N 2 1 238.375 1.628 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](C)CC1 ZINC000344037216 354102341 /nfs/dbraw/zinc/10/23/41/354102341.db2.gz ILGZABSTGYCWBK-ZDUSSCGKSA-N 2 1 241.423 1.791 20 0 BDADMP CC(C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344039835 354104840 /nfs/dbraw/zinc/10/48/40/354104840.db2.gz UVASZKGFEFPVPV-UHFFFAOYSA-N 2 1 215.385 1.210 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)[C@H](C)C1 ZINC000449739791 202015416 /nfs/dbraw/zinc/01/54/16/202015416.db2.gz MHCDDJDTUUDJAV-XBFCOCLRSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCC2)[C@H](C)C1 ZINC000449739789 202015517 /nfs/dbraw/zinc/01/55/17/202015517.db2.gz MHCDDJDTUUDJAV-KWCYVHTRSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCOCC1 ZINC000344287316 354204655 /nfs/dbraw/zinc/20/46/55/354204655.db2.gz ILZALZGLTFEHKB-GFCCVEGCSA-N 2 1 238.375 1.653 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000344411684 354252022 /nfs/dbraw/zinc/25/20/22/354252022.db2.gz RIEIFJWDFMXIOF-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000344411684 354252024 /nfs/dbraw/zinc/25/20/24/354252024.db2.gz RIEIFJWDFMXIOF-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccon3)C2)CC1 ZINC000639177962 354252473 /nfs/dbraw/zinc/25/24/73/354252473.db2.gz XYGLKDSNRHGFPB-CYBMUJFWSA-N 2 1 249.358 1.838 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000344766388 354357373 /nfs/dbraw/zinc/35/73/73/354357373.db2.gz XYNVRTIJLFCUAS-UONOGXRCSA-N 2 1 248.374 1.747 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334693361 354483379 /nfs/dbraw/zinc/48/33/79/354483379.db2.gz ZPEPNAHWRXYPMK-GFCCVEGCSA-N 3 1 225.380 1.045 20 0 BDADMP CC[N@H+](Cc1ccnn1C)[C@@H]1CCC[NH2+]CC1 ZINC000435387221 191305219 /nfs/dbraw/zinc/30/52/19/191305219.db2.gz YKNQHNOITBFHTF-GFCCVEGCSA-N 2 1 236.363 1.384 20 0 BDADMP CC[N@@H+](Cc1ccnn1C)[C@@H]1CCC[NH2+]CC1 ZINC000435387221 191305220 /nfs/dbraw/zinc/30/52/20/191305220.db2.gz YKNQHNOITBFHTF-GFCCVEGCSA-N 2 1 236.363 1.384 20 0 BDADMP CC[C@@](C)(C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000639204160 354620582 /nfs/dbraw/zinc/62/05/82/354620582.db2.gz PKGMTXJOGBVMSN-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@](C)(C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000639204160 354620584 /nfs/dbraw/zinc/62/05/84/354620584.db2.gz PKGMTXJOGBVMSN-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@](C)(C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204160 354620587 /nfs/dbraw/zinc/62/05/87/354620587.db2.gz PKGMTXJOGBVMSN-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](CO)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000345895683 354801163 /nfs/dbraw/zinc/80/11/63/354801163.db2.gz YUUMNTFGRGZJFZ-CYBMUJFWSA-N 2 1 239.363 1.674 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000345895683 354801166 /nfs/dbraw/zinc/80/11/66/354801166.db2.gz YUUMNTFGRGZJFZ-CYBMUJFWSA-N 2 1 239.363 1.674 20 0 BDADMP C[C@]1(CCCO)CCC[N@H+]1CCn1ccnc1 ZINC000345955695 354820022 /nfs/dbraw/zinc/82/00/22/354820022.db2.gz KZDHSTZWHBWUEM-CYBMUJFWSA-N 2 1 237.347 1.510 20 0 BDADMP CC(C)[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000335951365 134021540 /nfs/dbraw/zinc/02/15/40/134021540.db2.gz SFBMIWNZMOVQEQ-JSGCOSHPSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000335951365 134021541 /nfs/dbraw/zinc/02/15/41/134021541.db2.gz SFBMIWNZMOVQEQ-JSGCOSHPSA-N 2 1 239.407 1.399 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000335168630 354930363 /nfs/dbraw/zinc/93/03/63/354930363.db2.gz GJKQMTONEQTWQA-TZMCWYRMSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000335168630 354930368 /nfs/dbraw/zinc/93/03/68/354930368.db2.gz GJKQMTONEQTWQA-TZMCWYRMSA-N 2 1 238.375 1.365 20 0 BDADMP CCOc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000346629590 354997403 /nfs/dbraw/zinc/99/74/03/354997403.db2.gz BFUZEGNSFQBDDA-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000346629590 354997405 /nfs/dbraw/zinc/99/74/05/354997405.db2.gz BFUZEGNSFQBDDA-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000346820484 355125218 /nfs/dbraw/zinc/12/52/18/355125218.db2.gz CNPHOGUHXQCSAC-GFCCVEGCSA-N 2 1 248.374 1.553 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000346820484 355125220 /nfs/dbraw/zinc/12/52/20/355125220.db2.gz CNPHOGUHXQCSAC-GFCCVEGCSA-N 2 1 248.374 1.553 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346971027 355207410 /nfs/dbraw/zinc/20/74/10/355207410.db2.gz GUNLGCTXJYUUOD-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000346970739 355207555 /nfs/dbraw/zinc/20/75/55/355207555.db2.gz RHADENNGSFZJNY-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346964808 355172405 /nfs/dbraw/zinc/17/24/05/355172405.db2.gz BTPHLJJVVFGXQX-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2C)C1 ZINC000347003090 355200907 /nfs/dbraw/zinc/20/09/07/355200907.db2.gz KJQUIMOQPAPJAQ-LLVKDONJSA-N 2 1 222.336 1.150 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000347003090 355200908 /nfs/dbraw/zinc/20/09/08/355200908.db2.gz KJQUIMOQPAPJAQ-LLVKDONJSA-N 2 1 222.336 1.150 20 0 BDADMP CC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000412979784 191349001 /nfs/dbraw/zinc/34/90/01/191349001.db2.gz VUWUWJBOTLRLRI-JHJVBQTASA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000412979784 191349003 /nfs/dbraw/zinc/34/90/03/191349003.db2.gz VUWUWJBOTLRLRI-JHJVBQTASA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000412979784 191349006 /nfs/dbraw/zinc/34/90/06/191349006.db2.gz VUWUWJBOTLRLRI-JHJVBQTASA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000412979784 191349008 /nfs/dbraw/zinc/34/90/08/191349008.db2.gz VUWUWJBOTLRLRI-JHJVBQTASA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515179 355251858 /nfs/dbraw/zinc/25/18/58/355251858.db2.gz ILYXGCCQUYNCHT-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000414169566 191450830 /nfs/dbraw/zinc/45/08/30/191450830.db2.gz BHCZEOUWFFXTTN-NEPJUHHUSA-N 2 1 236.363 1.792 20 0 BDADMP CO[C@H](C[NH2+]CCC[N@@H+](C)CC(C)C)C1CC1 ZINC000639287775 355396497 /nfs/dbraw/zinc/39/64/97/355396497.db2.gz AHAVEZPUAFCOAO-CQSZACIVSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703093 535285389 /nfs/dbraw/zinc/28/53/89/535285389.db2.gz GJKWZWNUHFLVLG-HZSPNIEDSA-N 2 1 240.391 1.610 20 0 BDADMP COC(=O)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746932 358498944 /nfs/dbraw/zinc/49/89/44/358498944.db2.gz IUJLODVYBBKMEG-FOSCPWQOSA-N 2 1 240.347 1.154 20 0 BDADMP Cc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)no1 ZINC000336022480 134056092 /nfs/dbraw/zinc/05/60/92/134056092.db2.gz XSRUNNIDJKPUOV-CYBMUJFWSA-N 2 1 249.358 1.805 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216022116 355796620 /nfs/dbraw/zinc/79/66/20/355796620.db2.gz DHDHXXOSFZCFAD-WCQYABFASA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H]1C[C@H](CN[C@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000530245089 355921474 /nfs/dbraw/zinc/92/14/74/355921474.db2.gz SSRBUQXHDGVEHA-UPJWGTAASA-N 2 1 237.391 1.249 20 0 BDADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cn1 ZINC000530218037 355899144 /nfs/dbraw/zinc/89/91/44/355899144.db2.gz DSBSSWJHIXEXEN-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cn1 ZINC000530218038 355899583 /nfs/dbraw/zinc/89/95/83/355899583.db2.gz DSBSSWJHIXEXEN-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480149 355994026 /nfs/dbraw/zinc/99/40/26/355994026.db2.gz TYYMNTOQNCTYDE-XQQFMLRXSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000167103692 355957697 /nfs/dbraw/zinc/95/76/97/355957697.db2.gz VONMUADHCBEFLA-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000420264926 192190940 /nfs/dbraw/zinc/19/09/40/192190940.db2.gz ATONPYCDDKEPOC-OAHLLOKOSA-N 2 1 247.386 1.946 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295642 192203798 /nfs/dbraw/zinc/20/37/98/192203798.db2.gz VVRVTZAUYHREIJ-IHRRRGAJSA-N 3 1 239.407 1.435 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420297592 192205730 /nfs/dbraw/zinc/20/57/30/192205730.db2.gz YVHRCIDEQOUZNZ-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000420296930 192205812 /nfs/dbraw/zinc/20/58/12/192205812.db2.gz XQWYQOWIZPLGQT-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc[nH]n1 ZINC000420318651 192195892 /nfs/dbraw/zinc/19/58/92/192195892.db2.gz OHSUPZNGDOTANC-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP CCOC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420288491 192200698 /nfs/dbraw/zinc/20/06/98/192200698.db2.gz IXZHENLOTXKNPB-LLVKDONJSA-N 2 1 230.352 1.245 20 0 BDADMP C[N@@H+](CCOc1ccccc1)CC[C@@H]1CC[NH2+]C1 ZINC000420301631 192207258 /nfs/dbraw/zinc/20/72/58/192207258.db2.gz IQLSCKDZVIWWST-AWEZNQCLSA-N 2 1 248.370 1.997 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420318083 192214810 /nfs/dbraw/zinc/21/48/10/192214810.db2.gz VQUFMBLOHLGTQP-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP CC(=O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000639508581 356337607 /nfs/dbraw/zinc/33/76/07/356337607.db2.gz NZUZPZDBXSFLFK-CYBMUJFWSA-N 2 1 224.348 1.239 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000639509616 356338909 /nfs/dbraw/zinc/33/89/09/356338909.db2.gz HSHGHWUHYCYUMY-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000639509616 356338913 /nfs/dbraw/zinc/33/89/13/356338913.db2.gz HSHGHWUHYCYUMY-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000639509742 356339056 /nfs/dbraw/zinc/33/90/56/356339056.db2.gz LBXPBQYWMHPDNG-AAEUAGOBSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000639509742 356339060 /nfs/dbraw/zinc/33/90/60/356339060.db2.gz LBXPBQYWMHPDNG-AAEUAGOBSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1C ZINC000639509742 356339062 /nfs/dbraw/zinc/33/90/62/356339062.db2.gz LBXPBQYWMHPDNG-AAEUAGOBSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1C ZINC000639509742 356339067 /nfs/dbraw/zinc/33/90/67/356339067.db2.gz LBXPBQYWMHPDNG-AAEUAGOBSA-N 2 1 249.358 1.702 20 0 BDADMP Cc1cccc([C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420349922 192217466 /nfs/dbraw/zinc/21/74/66/192217466.db2.gz FEHLVHAMMIYQDV-WCQYABFASA-N 2 1 222.332 1.307 20 0 BDADMP CO[C@@H](C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000420300418 192207863 /nfs/dbraw/zinc/20/78/63/192207863.db2.gz KIFWHEBTOMXJSG-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000420305510 192208563 /nfs/dbraw/zinc/20/85/63/192208563.db2.gz KKEZKQSIEJNQDL-JSGCOSHPSA-N 2 1 233.359 1.683 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420306728 192209226 /nfs/dbraw/zinc/20/92/26/192209226.db2.gz AXVVQFROWWUPAE-ZDUSSCGKSA-N 2 1 242.363 1.391 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420311125 192210540 /nfs/dbraw/zinc/21/05/40/192210540.db2.gz GVJLWCMFDISWLQ-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP c1cc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000420311112 192211749 /nfs/dbraw/zinc/21/17/49/192211749.db2.gz NCJMMGYMPDSUGC-OKILXGFUSA-N 2 1 231.343 1.165 20 0 BDADMP CCOC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420317451 192212566 /nfs/dbraw/zinc/21/25/66/192212566.db2.gz OQJPHJPBGCMPMZ-LLVKDONJSA-N 2 1 228.336 1.143 20 0 BDADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000420366511 192226412 /nfs/dbraw/zinc/22/64/12/192226412.db2.gz FXRDEGROAHNISI-LLVKDONJSA-N 2 1 222.336 1.512 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420370257 192228130 /nfs/dbraw/zinc/22/81/30/192228130.db2.gz YVPGHGOQXCURCB-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cnn(C)c1 ZINC000420322819 192228253 /nfs/dbraw/zinc/22/82/53/192228253.db2.gz SXYTZCSEXFCVAP-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CC(C)OCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420354331 192219781 /nfs/dbraw/zinc/21/97/81/192219781.db2.gz CYAIXECNEGGUPK-CYBMUJFWSA-N 2 1 228.380 1.909 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000420366931 192225317 /nfs/dbraw/zinc/22/53/17/192225317.db2.gz VHONBFVKWNOIRY-UHFFFAOYSA-N 2 1 238.306 1.159 20 0 BDADMP CCc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420397297 192236251 /nfs/dbraw/zinc/23/62/51/192236251.db2.gz XDAWBAUETWLVNT-OAHLLOKOSA-N 2 1 248.370 1.799 20 0 BDADMP CCc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420397297 192236254 /nfs/dbraw/zinc/23/62/54/192236254.db2.gz XDAWBAUETWLVNT-OAHLLOKOSA-N 2 1 248.370 1.799 20 0 BDADMP CCOCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420376310 192231273 /nfs/dbraw/zinc/23/12/73/192231273.db2.gz UZIPUIKKASYRBJ-CYBMUJFWSA-N 2 1 228.380 1.910 20 0 BDADMP COCCCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420375640 192232302 /nfs/dbraw/zinc/23/23/02/192232302.db2.gz TZSNAJXYTXQHPS-QJPTWQEYSA-N 2 1 214.353 1.389 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(F)(F)F ZINC000420374045 192232388 /nfs/dbraw/zinc/23/23/88/192232388.db2.gz ZXPZEHKZBLPVDL-SSDOTTSWSA-N 2 1 212.259 1.902 20 0 BDADMP C[C@@H]1C[C@@H](CO)C[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000420944518 192275502 /nfs/dbraw/zinc/27/55/02/192275502.db2.gz QZVRTGICOVJISM-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@@H](CO)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000420944518 192275503 /nfs/dbraw/zinc/27/55/03/192275503.db2.gz QZVRTGICOVJISM-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@@H](CO)C[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000420944518 192275506 /nfs/dbraw/zinc/27/55/06/192275506.db2.gz QZVRTGICOVJISM-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@H](CO)C[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000420944521 192275665 /nfs/dbraw/zinc/27/56/65/192275665.db2.gz QZVRTGICOVJISM-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@H](CO)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000420944521 192275667 /nfs/dbraw/zinc/27/56/67/192275667.db2.gz QZVRTGICOVJISM-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@H](CO)C[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000420944521 192275670 /nfs/dbraw/zinc/27/56/70/192275670.db2.gz QZVRTGICOVJISM-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000639621658 356541267 /nfs/dbraw/zinc/54/12/67/356541267.db2.gz CCKAZQXSOXCXNA-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449777968 202031966 /nfs/dbraw/zinc/03/19/66/202031966.db2.gz AIBWEDSYUVNYMJ-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP COCC[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449777968 202031969 /nfs/dbraw/zinc/03/19/69/202031969.db2.gz AIBWEDSYUVNYMJ-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000421027782 192309913 /nfs/dbraw/zinc/30/99/13/192309913.db2.gz UEGOSSPUACIRJT-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)CC[C@H]1C ZINC000421027782 192309916 /nfs/dbraw/zinc/30/99/16/192309916.db2.gz UEGOSSPUACIRJT-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](CCc1cncn1C)[C@@H]1CCOC1 ZINC000639651367 356563075 /nfs/dbraw/zinc/56/30/75/356563075.db2.gz VSSHGUVRQWYTEN-GFCCVEGCSA-N 2 1 223.320 1.073 20 0 BDADMP COc1cccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423001890 192524649 /nfs/dbraw/zinc/52/46/49/192524649.db2.gz FDVNOUSWUPPACJ-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)[C@H]1CCCC[NH2+]1 ZINC000423064851 192556090 /nfs/dbraw/zinc/55/60/90/192556090.db2.gz SEXVEXYFGKATSX-WHOHXGKFSA-N 2 1 226.364 1.266 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000167605217 134152681 /nfs/dbraw/zinc/15/26/81/134152681.db2.gz UCYSVDWPLVMUDC-UWVGGRQHSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000167605217 134152682 /nfs/dbraw/zinc/15/26/82/134152682.db2.gz UCYSVDWPLVMUDC-UWVGGRQHSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000423127010 192576874 /nfs/dbraw/zinc/57/68/74/192576874.db2.gz SMFHBKLKEKXFBH-YRGRVCCFSA-N 2 1 246.354 1.893 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](CO)SC)CC1 ZINC000168017090 134155467 /nfs/dbraw/zinc/15/54/67/134155467.db2.gz QVNAVBFTIXGQMA-PWSUYJOCSA-N 2 1 246.420 1.173 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423123857 192577194 /nfs/dbraw/zinc/57/71/94/192577194.db2.gz NOVPWLIEGXPVNJ-RYUDHWBXSA-N 2 1 227.396 1.304 20 0 BDADMP CN(C)C[C@@]1(O)CCC[N@@H+](CC2CCC2)C1 ZINC000639760822 356675725 /nfs/dbraw/zinc/67/57/25/356675725.db2.gz AYRVQWDKDGLYPS-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2CCC2)C1 ZINC000639760822 356675726 /nfs/dbraw/zinc/67/57/26/356675726.db2.gz AYRVQWDKDGLYPS-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CCC2)C1 ZINC000639760822 356675727 /nfs/dbraw/zinc/67/57/27/356675727.db2.gz AYRVQWDKDGLYPS-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CC3(C)COC3)C2)CC1 ZINC000639758450 356668267 /nfs/dbraw/zinc/66/82/67/356668267.db2.gz TXNLXLGSUXJFNJ-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423140280 192584977 /nfs/dbraw/zinc/58/49/77/192584977.db2.gz MFLANNUNQYODGV-RCWTZXSCSA-N 2 1 200.326 1.140 20 0 BDADMP CCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763919 356689742 /nfs/dbraw/zinc/68/97/42/356689742.db2.gz TYRMJFDJQOMMOQ-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763919 356689744 /nfs/dbraw/zinc/68/97/44/356689744.db2.gz TYRMJFDJQOMMOQ-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC[C@H](C)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765481 356693975 /nfs/dbraw/zinc/69/39/75/356693975.db2.gz ISZQZCXWFRJCDD-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@H](C)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765481 356693979 /nfs/dbraw/zinc/69/39/79/356693979.db2.gz ISZQZCXWFRJCDD-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130362576 325045018 /nfs/dbraw/zinc/04/50/18/325045018.db2.gz WBTPEHHHIIROGC-GFCCVEGCSA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130362576 325045021 /nfs/dbraw/zinc/04/50/21/325045021.db2.gz WBTPEHHHIIROGC-GFCCVEGCSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000578193797 366379526 /nfs/dbraw/zinc/37/95/26/366379526.db2.gz WJKQUGUPFKRGQF-RWMBFGLXSA-N 2 1 249.358 1.975 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1(C)C ZINC000623370373 356872688 /nfs/dbraw/zinc/87/26/88/356872688.db2.gz HXGSVGPRCZXYGR-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C(C)C)C(C)(C)O)CC1 ZINC000357791784 356846701 /nfs/dbraw/zinc/84/67/01/356846701.db2.gz CPYBCWLVXIRRLN-CYBMUJFWSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358227315 356862887 /nfs/dbraw/zinc/86/28/87/356862887.db2.gz DPHMEFPXYKMBKX-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358227315 356862891 /nfs/dbraw/zinc/86/28/91/356862891.db2.gz DPHMEFPXYKMBKX-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383423 356907073 /nfs/dbraw/zinc/90/70/73/356907073.db2.gz TVICJRDUMNNPLZ-CYBMUJFWSA-N 3 1 241.423 1.791 20 0 BDADMP CN1CC[C@@H]([NH2+]CCCC[NH+](C)C)CC1(C)C ZINC000623383423 356907077 /nfs/dbraw/zinc/90/70/77/356907077.db2.gz TVICJRDUMNNPLZ-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000582306189 357043439 /nfs/dbraw/zinc/04/34/39/357043439.db2.gz FLXAQLXAMJNZSW-RYUDHWBXSA-N 2 1 216.369 1.325 20 0 BDADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000305158150 357186039 /nfs/dbraw/zinc/18/60/39/357186039.db2.gz WJODRDJVQGBHEF-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CSC2)C1 ZINC000628425463 357252944 /nfs/dbraw/zinc/25/29/44/357252944.db2.gz LTEMAQFBAICVSL-JTQLQIEISA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000628425447 357252972 /nfs/dbraw/zinc/25/29/72/357252972.db2.gz LIKXJDGTMGZRIH-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H](c1nc(C[NH3+])no1)[C@H]([NH3+])c1ccccc1 ZINC000582486676 357318609 /nfs/dbraw/zinc/31/86/09/357318609.db2.gz OKUKQGSEXMLKQU-KWQFWETISA-N 2 1 232.287 1.332 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408020 357403728 /nfs/dbraw/zinc/40/37/28/357403728.db2.gz DWDCMWMRTZJEHA-AAEUAGOBSA-N 2 1 228.380 1.610 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000583093893 357478887 /nfs/dbraw/zinc/47/88/87/357478887.db2.gz DUCQKACPWOPKKB-ZDUSSCGKSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000583093893 357478890 /nfs/dbraw/zinc/47/88/90/357478890.db2.gz DUCQKACPWOPKKB-ZDUSSCGKSA-N 2 1 242.407 1.665 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396842750 357486019 /nfs/dbraw/zinc/48/60/19/357486019.db2.gz DUNKINQLXPVKDD-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(N)=O ZINC000230383047 357532538 /nfs/dbraw/zinc/53/25/38/357532538.db2.gz FKTKDSXASUMPRT-NEPJUHHUSA-N 2 1 247.342 1.232 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](OC)C2)CC1 ZINC000231691280 357621744 /nfs/dbraw/zinc/62/17/44/357621744.db2.gz ZVYYVTSOFLGDHS-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)O)CC1(C)C ZINC000623412365 357586613 /nfs/dbraw/zinc/58/66/13/357586613.db2.gz GAWRDSODIBQJHP-SNVBAGLBSA-N 2 1 214.353 1.220 20 0 BDADMP O=c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH]1 ZINC000392704392 357596069 /nfs/dbraw/zinc/59/60/69/357596069.db2.gz VLTXOHXHAKKUBI-CHWSQXEVSA-N 2 1 247.342 1.504 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000159749866 538879203 /nfs/dbraw/zinc/87/92/03/538879203.db2.gz NSOZGRRKODKTFW-CHWSQXEVSA-N 2 1 217.316 1.041 20 0 BDADMP CN(C[C@@H]1CCC[N@H+]1C)C[C@@H]1CCC[NH2+]C1 ZINC000086188744 357871986 /nfs/dbraw/zinc/87/19/86/357871986.db2.gz JTFKXJLLIMVYTB-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000217646135 357909605 /nfs/dbraw/zinc/90/96/05/357909605.db2.gz ONCRVRJGTWQCBW-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP CCCN(CC)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000217646135 357909610 /nfs/dbraw/zinc/90/96/10/357909610.db2.gz ONCRVRJGTWQCBW-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP C1CC1[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000307761221 491118806 /nfs/dbraw/zinc/11/88/06/491118806.db2.gz YONAQQNEOQKHCY-UHFFFAOYSA-N 2 1 212.362 1.318 20 0 BDADMP CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000169239207 134249972 /nfs/dbraw/zinc/24/99/72/134249972.db2.gz BMYCLBGATCPPJK-CHWSQXEVSA-N 2 1 220.316 1.757 20 0 BDADMP COC1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000221113870 358077187 /nfs/dbraw/zinc/07/71/87/358077187.db2.gz RSDPBQUTSLKNKY-VOMCLLRMSA-N 2 1 212.337 1.095 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000217703668 134250322 /nfs/dbraw/zinc/25/03/22/134250322.db2.gz QTRQVUORPDARPM-ZIAGYGMSSA-N 2 1 241.423 1.825 20 0 BDADMP C[C@H](O)C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901256 358097361 /nfs/dbraw/zinc/09/73/61/358097361.db2.gz CZYIQCFBCNXCCG-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCC2)CC[N@H+]1C ZINC000134027488 325338559 /nfs/dbraw/zinc/33/85/59/325338559.db2.gz LKAHILGNLWQVRO-CHWSQXEVSA-N 2 1 240.391 1.754 20 0 BDADMP COCC[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000584724490 358166529 /nfs/dbraw/zinc/16/65/29/358166529.db2.gz DUNVAQZMRKHAFX-UHFFFAOYSA-N 2 1 244.379 1.112 20 0 BDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000584839346 358198771 /nfs/dbraw/zinc/19/87/71/358198771.db2.gz ZNTCIOZATMXVLJ-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000173952233 134276994 /nfs/dbraw/zinc/27/69/94/134276994.db2.gz FXQZOKPVTZUWGO-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000173952233 134276997 /nfs/dbraw/zinc/27/69/97/134276997.db2.gz FXQZOKPVTZUWGO-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000173952233 134276998 /nfs/dbraw/zinc/27/69/98/134276998.db2.gz FXQZOKPVTZUWGO-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000044659222 358392299 /nfs/dbraw/zinc/39/22/99/358392299.db2.gz MZWWXDVKJHYOQT-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]1C[C@@H](NCC(C)(C)[NH+](C)C)CC[N@H+]1C ZINC000129581643 491132158 /nfs/dbraw/zinc/13/21/58/491132158.db2.gz OHFDPZZSPDUQRH-NEPJUHHUSA-N 2 1 227.396 1.399 20 0 BDADMP C[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623426386 358397643 /nfs/dbraw/zinc/39/76/43/358397643.db2.gz LYFIUDHTDPBMDX-QWRGUYRKSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623426385 358397676 /nfs/dbraw/zinc/39/76/76/358397676.db2.gz LYFIUDHTDPBMDX-MNOVXSKESA-N 2 1 214.353 1.220 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000045038845 358400453 /nfs/dbraw/zinc/40/04/53/358400453.db2.gz RNMSDKUJCBRMHA-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000042578484 358526890 /nfs/dbraw/zinc/52/68/90/358526890.db2.gz NKYKTQORFVYJLI-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(OC)CC2)C1 ZINC000129996851 358604063 /nfs/dbraw/zinc/60/40/63/358604063.db2.gz IIIPKQGKTPMHGZ-HSBZDZAISA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)CC1 ZINC000049856238 358703211 /nfs/dbraw/zinc/70/32/11/358703211.db2.gz PKDQLYGPABERRF-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+](CCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000131326634 358671102 /nfs/dbraw/zinc/67/11/02/358671102.db2.gz LRLNLARROCTQRQ-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP CC[NH+](CCCO)CC[C@H]1CCCC[N@H+]1C ZINC000131326634 358671104 /nfs/dbraw/zinc/67/11/04/358671104.db2.gz LRLNLARROCTQRQ-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP C[N@H+](CCCO)C1CC[NH+](CCCF)CC1 ZINC000131941262 358701543 /nfs/dbraw/zinc/70/15/43/358701543.db2.gz HKTDZKJCIIIJOD-UHFFFAOYSA-N 2 1 232.343 1.125 20 0 BDADMP C[N@@H+](CCCO)C1CC[NH+](CCCF)CC1 ZINC000131941262 358701546 /nfs/dbraw/zinc/70/15/46/358701546.db2.gz HKTDZKJCIIIJOD-UHFFFAOYSA-N 2 1 232.343 1.125 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CO)CC1 ZINC000050104773 358716408 /nfs/dbraw/zinc/71/64/08/358716408.db2.gz FCTKOFDTRORBIY-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP [NH3+]Cc1noc([C@H]2CCCCCC[C@@H]2[NH3+])n1 ZINC000578236225 366464830 /nfs/dbraw/zinc/46/48/30/366464830.db2.gz DUCHZACCVCYBJX-IUCAKERBSA-N 2 1 224.308 1.293 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000136136806 358865371 /nfs/dbraw/zinc/86/53/71/358865371.db2.gz JHNXOENTQCUYIZ-LBPRGKRZSA-N 2 1 244.342 1.699 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000578338029 366528458 /nfs/dbraw/zinc/52/84/58/366528458.db2.gz ZQMQISAPNDTFBR-AVGNSLFASA-N 3 1 225.380 1.236 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccnc2)[C@@H](C)C1 ZINC000247186643 359200025 /nfs/dbraw/zinc/20/00/25/359200025.db2.gz VNWTWSIJNHDOPG-DZGCQCFKSA-N 2 1 247.386 1.944 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000248169033 359257493 /nfs/dbraw/zinc/25/74/93/359257493.db2.gz UJLSIAXTIPBZTK-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000248169033 359257496 /nfs/dbraw/zinc/25/74/96/359257496.db2.gz UJLSIAXTIPBZTK-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000248169033 359257500 /nfs/dbraw/zinc/25/75/00/359257500.db2.gz UJLSIAXTIPBZTK-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423402573 192744223 /nfs/dbraw/zinc/74/42/23/192744223.db2.gz YLQIHSYYYKTHJD-UPJWGTAASA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H](CCCC[NH3+])N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423425477 192750773 /nfs/dbraw/zinc/75/07/73/192750773.db2.gz GUSFZPZFMTXWLU-SDDRHHMPSA-N 2 1 213.369 1.234 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC2)CC1(C)C ZINC000623438108 359331805 /nfs/dbraw/zinc/33/18/05/359331805.db2.gz LTAOGERTLRGXEY-LLVKDONJSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623444947 359338204 /nfs/dbraw/zinc/33/82/04/359338204.db2.gz XRBDBLGTIBIIKP-NWDGAFQWSA-N 2 1 228.380 1.610 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000379563060 359544277 /nfs/dbraw/zinc/54/42/77/359544277.db2.gz YQZOYMKPTPTHEF-RWMBFGLXSA-N 2 1 222.376 1.964 20 0 BDADMP Cc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc[nH+]1 ZINC000450785646 202266742 /nfs/dbraw/zinc/26/67/42/202266742.db2.gz BMGXZTOTZSDQSE-OKILXGFUSA-N 2 1 247.342 1.087 20 0 BDADMP CCc1nc(N[C@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000045955282 359746877 /nfs/dbraw/zinc/74/68/77/359746877.db2.gz FJTPWDCRJWITCM-JTQLQIEISA-N 2 1 220.320 1.511 20 0 BDADMP C[N@@H+](C[C@H](O)CN1CCC[C@@](C)(F)C1)C1CC1 ZINC000451112896 202353887 /nfs/dbraw/zinc/35/38/87/202353887.db2.gz IUXCIOWOKPGDJM-QWHCGFSZSA-N 2 1 244.354 1.266 20 0 BDADMP CC[C@@H]1[C@H](CO)CC[N@H+]1CCC[NH+](CC)CC ZINC000451260886 202388223 /nfs/dbraw/zinc/38/82/23/202388223.db2.gz VDMSMDZFOJZUIJ-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nc1 ZINC000088135829 359938600 /nfs/dbraw/zinc/93/86/00/359938600.db2.gz IONTYXJHCGTPPS-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nc1 ZINC000088135829 359938606 /nfs/dbraw/zinc/93/86/06/359938606.db2.gz IONTYXJHCGTPPS-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC(C)(C)C1 ZINC000578875271 366664559 /nfs/dbraw/zinc/66/45/59/366664559.db2.gz MXSDPKGXEJEGDB-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP CCSCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000578875544 366664772 /nfs/dbraw/zinc/66/47/72/366664772.db2.gz UMYPIMSOPLCQQX-UHFFFAOYSA-N 2 1 246.420 1.440 20 0 BDADMP CC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccnc(OC)c2)C1 ZINC000578905568 366672807 /nfs/dbraw/zinc/67/28/07/366672807.db2.gz DGLKQDHSOMEQMQ-WCQYABFASA-N 2 1 249.358 1.835 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089150671 359994427 /nfs/dbraw/zinc/99/44/27/359994427.db2.gz HUVUKTCLWYTOIN-TZMCWYRMSA-N 2 1 239.407 1.578 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCCO ZINC000309325438 491147004 /nfs/dbraw/zinc/14/70/04/491147004.db2.gz GIWIBQKYEXGHCJ-QWHCGFSZSA-N 2 1 230.396 1.856 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCCO ZINC000309325438 491147005 /nfs/dbraw/zinc/14/70/05/491147005.db2.gz GIWIBQKYEXGHCJ-QWHCGFSZSA-N 2 1 230.396 1.856 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090800841 360090176 /nfs/dbraw/zinc/09/01/76/360090176.db2.gz MCIKLZZUXMBKOU-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093462342 360245931 /nfs/dbraw/zinc/24/59/31/360245931.db2.gz JCCLTYNJEBSOLX-KGLIPLIRSA-N 3 1 241.423 1.839 20 0 BDADMP Cc1cc[nH+]c(N2CCC(OCCC[NH3+])CC2)c1 ZINC000094073097 360295182 /nfs/dbraw/zinc/29/51/82/360295182.db2.gz YLIGLMDIEDIRFE-UHFFFAOYSA-N 2 1 249.358 1.724 20 0 BDADMP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874337 360286334 /nfs/dbraw/zinc/28/63/34/360286334.db2.gz JMTWBEPETUAERP-SNVBAGLBSA-N 2 1 243.395 1.206 20 0 BDADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874337 360286335 /nfs/dbraw/zinc/28/63/35/360286335.db2.gz JMTWBEPETUAERP-SNVBAGLBSA-N 2 1 243.395 1.206 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC1(C)C ZINC000631197353 360711220 /nfs/dbraw/zinc/71/12/20/360711220.db2.gz BEIXTJKOEUUDLF-SDDRHHMPSA-N 2 1 226.364 1.220 20 0 BDADMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000629510186 361107567 /nfs/dbraw/zinc/10/75/67/361107567.db2.gz AMOGXBQJYOXMSP-LLVKDONJSA-N 2 1 238.306 1.099 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000629510186 361107571 /nfs/dbraw/zinc/10/75/71/361107571.db2.gz AMOGXBQJYOXMSP-LLVKDONJSA-N 2 1 238.306 1.099 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629515949 361110329 /nfs/dbraw/zinc/11/03/29/361110329.db2.gz WQKCURUHOVFGIP-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000629520138 361115561 /nfs/dbraw/zinc/11/55/61/361115561.db2.gz UECOTXCTSUZOLA-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000629520138 361115563 /nfs/dbraw/zinc/11/55/63/361115563.db2.gz UECOTXCTSUZOLA-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979235 219885690 /nfs/dbraw/zinc/88/56/90/219885690.db2.gz UHNIFTCFABTFFM-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000629530159 361147985 /nfs/dbraw/zinc/14/79/85/361147985.db2.gz XAFWZDMNHVNSOT-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP CCO[C@H](C[N@@H+](C)C1CC([NH3+])C1)C1CC1 ZINC000629532531 361152380 /nfs/dbraw/zinc/15/23/80/361152380.db2.gz GBBDRQKZBNXYMQ-HTAVTVPLSA-N 2 1 212.337 1.223 20 0 BDADMP CCO[C@H](C[N@H+](C)C1(C[NH3+])CCC1)C1CC1 ZINC000629533375 361160168 /nfs/dbraw/zinc/16/01/68/361160168.db2.gz XBMMOSADAYRDHA-GFCCVEGCSA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@H](C[N@@H+](C)C1(C[NH3+])CCC1)C1CC1 ZINC000629533375 361160178 /nfs/dbraw/zinc/16/01/78/361160178.db2.gz XBMMOSADAYRDHA-GFCCVEGCSA-N 2 1 226.364 1.615 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629525859 361127150 /nfs/dbraw/zinc/12/71/50/361127150.db2.gz DUDFLJDJVXJJIV-RWMBFGLXSA-N 2 1 228.380 1.922 20 0 BDADMP CCSCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000159237533 361226817 /nfs/dbraw/zinc/22/68/17/361226817.db2.gz BUYKMHWTIYKDDE-UWVGGRQHSA-N 2 1 202.367 1.409 20 0 BDADMP C[C@@H](C(N)=O)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532280 361302306 /nfs/dbraw/zinc/30/23/06/361302306.db2.gz SAFPSXLKRWHBLD-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043568 370674170 /nfs/dbraw/zinc/67/41/70/370674170.db2.gz DNBQYYDUGWQJTN-UTLUCORTSA-N 2 1 218.291 1.619 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)[C@@H](C)O1 ZINC000631221389 361380179 /nfs/dbraw/zinc/38/01/79/361380179.db2.gz GDSYOAZDQQIPCF-NQBHXWOUSA-N 2 1 249.358 1.803 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccnc2N)C[C@H]1C[NH3+] ZINC000629538996 361404627 /nfs/dbraw/zinc/40/46/27/361404627.db2.gz QQRVNNAUNGOZDJ-ZYHUDNBSSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnc2N)C[C@H]1C[NH3+] ZINC000629538996 361404630 /nfs/dbraw/zinc/40/46/30/361404630.db2.gz QQRVNNAUNGOZDJ-ZYHUDNBSSA-N 2 1 234.347 1.081 20 0 BDADMP [NH3+]CCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629539420 361406121 /nfs/dbraw/zinc/40/61/21/361406121.db2.gz QYJRRTWHMXUBNL-ZIAGYGMSSA-N 3 1 249.358 1.086 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629536505 361398607 /nfs/dbraw/zinc/39/86/07/361398607.db2.gz GOJMAODWALUSOB-AGIUHOORSA-N 2 1 228.380 1.778 20 0 BDADMP Cc1nc([C@H](C)[NH2+]CCOCCC[NH3+])cs1 ZINC000629537830 361401066 /nfs/dbraw/zinc/40/10/66/361401066.db2.gz LDJXXEKBUNPMPU-VIFPVBQESA-N 2 1 243.376 1.468 20 0 BDADMP c1cc(C[NH2+]CCC[NH+]2CCC2)cs1 ZINC000579373910 366774894 /nfs/dbraw/zinc/77/48/94/366774894.db2.gz IBQDVLSQTKRECK-UHFFFAOYSA-N 2 1 210.346 1.934 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000629535349 361410307 /nfs/dbraw/zinc/41/03/07/361410307.db2.gz FSPNDVDMESRNCL-ZDUSSCGKSA-N 2 1 233.359 1.868 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629543535 361411153 /nfs/dbraw/zinc/41/11/53/361411153.db2.gz BHJDSNKUZWQSHZ-USZNOCQGSA-N 2 1 226.364 1.530 20 0 BDADMP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543905 361413302 /nfs/dbraw/zinc/41/33/02/361413302.db2.gz DBJGKTGJFVENPO-YNEHKIRRSA-N 2 1 236.363 1.248 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430111933 201145609 /nfs/dbraw/zinc/14/56/09/201145609.db2.gz APMCJQUPOYXZTR-FRRDWIJNSA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430111933 201145612 /nfs/dbraw/zinc/14/56/12/201145612.db2.gz APMCJQUPOYXZTR-FRRDWIJNSA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430111933 201145614 /nfs/dbraw/zinc/14/56/14/201145614.db2.gz APMCJQUPOYXZTR-FRRDWIJNSA-N 2 1 208.349 1.670 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000629545851 361426470 /nfs/dbraw/zinc/42/64/70/361426470.db2.gz AEDKFTGXJNPMPD-MCIONIFRSA-N 2 1 238.375 1.615 20 0 BDADMP CCC1(CC)[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C[C@@H]1OC ZINC000629546704 361429337 /nfs/dbraw/zinc/42/93/37/361429337.db2.gz XCDJOWQBNZAUIM-RNJOBUHISA-N 2 1 240.391 1.920 20 0 BDADMP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000629553646 361439057 /nfs/dbraw/zinc/43/90/57/361439057.db2.gz CBMBLVIBGVELPO-HUUCEWRRSA-N 2 1 230.355 1.886 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000629550543 361442840 /nfs/dbraw/zinc/44/28/40/361442840.db2.gz ZEMIMVZAXGQMFV-CYZMBNFOSA-N 2 1 226.364 1.613 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000629550547 361443178 /nfs/dbraw/zinc/44/31/78/361443178.db2.gz ZEMIMVZAXGQMFV-WCFLWFBJSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629542608 361419570 /nfs/dbraw/zinc/41/95/70/361419570.db2.gz GZCXZGAYQOGEGZ-MROQNXINSA-N 2 1 226.364 1.674 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCC=C(C)C ZINC000629571074 361460808 /nfs/dbraw/zinc/46/08/08/361460808.db2.gz GQGCNGZNRYUWOF-UHFFFAOYSA-N 2 1 214.353 1.511 20 0 BDADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629578107 361467682 /nfs/dbraw/zinc/46/76/82/361467682.db2.gz GPOUSPWPOFJYJK-LLVKDONJSA-N 2 1 240.322 1.794 20 0 BDADMP Oc1cccc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000629582652 361472352 /nfs/dbraw/zinc/47/23/52/361472352.db2.gz WECMHTTYKMXSQW-GFCCVEGCSA-N 2 1 246.354 1.750 20 0 BDADMP Oc1cccc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000629582654 361473161 /nfs/dbraw/zinc/47/31/61/361473161.db2.gz WECMHTTYKMXSQW-LBPRGKRZSA-N 2 1 246.354 1.750 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOCC1CC1)C2 ZINC000629584561 361473771 /nfs/dbraw/zinc/47/37/71/361473771.db2.gz BNHIUIBTAPXLGK-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOCC1CC1)C2 ZINC000629584561 361473777 /nfs/dbraw/zinc/47/37/77/361473777.db2.gz BNHIUIBTAPXLGK-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381557869 361478775 /nfs/dbraw/zinc/47/87/75/361478775.db2.gz PHGZNWWOVUBMQN-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCc1cccnc1)C2 ZINC000629595915 361483383 /nfs/dbraw/zinc/48/33/83/361483383.db2.gz TVWSRZQORYAOJM-GASCZTMLSA-N 2 1 245.370 1.556 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1cccnc1)C2 ZINC000629595915 361483387 /nfs/dbraw/zinc/48/33/87/361483387.db2.gz TVWSRZQORYAOJM-GASCZTMLSA-N 2 1 245.370 1.556 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1CCC1)C2 ZINC000629596022 361483769 /nfs/dbraw/zinc/48/37/69/361483769.db2.gz PWPZJSDFBDUQGS-BETUJISGSA-N 2 1 208.349 1.718 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCC(C)C ZINC000629562709 361455929 /nfs/dbraw/zinc/45/59/29/361455929.db2.gz FLQOGSSBJOGLOS-UHFFFAOYSA-N 2 1 202.342 1.200 20 0 BDADMP COCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566531 361457322 /nfs/dbraw/zinc/45/73/22/361457322.db2.gz ZLTQZNVXWUANCO-RKDXNWHRSA-N 2 1 240.269 1.092 20 0 BDADMP COCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566531 361457328 /nfs/dbraw/zinc/45/73/28/361457328.db2.gz ZLTQZNVXWUANCO-RKDXNWHRSA-N 2 1 240.269 1.092 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000629651958 361558349 /nfs/dbraw/zinc/55/83/49/361558349.db2.gz QREZDUXQSGYBRE-OLZOCXBDSA-N 2 1 224.348 1.392 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000629654544 361558754 /nfs/dbraw/zinc/55/87/54/361558754.db2.gz QYTROBZBHXHMHV-CYBMUJFWSA-N 2 1 221.348 1.728 20 0 BDADMP CCCC[C@H](CN)[NH2+]Cc1ccn(C)c1 ZINC000629647698 361537364 /nfs/dbraw/zinc/53/73/64/361537364.db2.gz FFKJZPQHCLNCCB-GFCCVEGCSA-N 2 1 209.337 1.632 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccn(C)c1 ZINC000629647698 361537370 /nfs/dbraw/zinc/53/73/70/361537370.db2.gz FFKJZPQHCLNCCB-GFCCVEGCSA-N 2 1 209.337 1.632 20 0 BDADMP CCOCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152385627 201198883 /nfs/dbraw/zinc/19/88/83/201198883.db2.gz WJTAPPBHHICBLC-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CCOCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152385627 201198886 /nfs/dbraw/zinc/19/88/86/201198886.db2.gz WJTAPPBHHICBLC-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP C[C@@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccncc1 ZINC000629656115 361561075 /nfs/dbraw/zinc/56/10/75/361561075.db2.gz NFXVADLEEFERNU-SGMGOOAPSA-N 2 1 233.359 1.773 20 0 BDADMP COCc1ccc(C[NH2+]C[C@H](C)C[NH3+])o1 ZINC000629648325 361540564 /nfs/dbraw/zinc/54/05/64/361540564.db2.gz SGJPVTNLRGQJDC-SECBINFHSA-N 2 1 212.293 1.110 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC(C)(C)[NH+](C)C ZINC000152608713 201203602 /nfs/dbraw/zinc/20/36/02/201203602.db2.gz GGPOPSWOPDXTKN-NEPJUHHUSA-N 2 1 227.396 1.256 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629649224 361543670 /nfs/dbraw/zinc/54/36/70/361543670.db2.gz MMJAMDWEJKLXQR-GJZGRUSLSA-N 2 1 247.386 1.989 20 0 BDADMP CCOCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000152249142 201192395 /nfs/dbraw/zinc/19/23/95/201192395.db2.gz PXACQLVRZOPPTJ-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP C1=C(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)COCC1 ZINC000629653859 361554827 /nfs/dbraw/zinc/55/48/27/361554827.db2.gz LFLRWUVDLVMPHS-CYBMUJFWSA-N 2 1 222.332 1.019 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629651821 361557174 /nfs/dbraw/zinc/55/71/74/361557174.db2.gz KSTXVHOUUANYMK-WCQYABFASA-N 2 1 224.348 1.392 20 0 BDADMP Cc1cccc(C[N@@H+](C)CCOCC[NH3+])c1C ZINC000629661943 361594534 /nfs/dbraw/zinc/59/45/34/361594534.db2.gz DUHXHBNHGBVXPZ-UHFFFAOYSA-N 2 1 236.359 1.711 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000629661593 361594729 /nfs/dbraw/zinc/59/47/29/361594729.db2.gz BMXQGJDEHFWWKR-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@]1(C[N@@H+]2CCc3c(O)cccc3C2)CC[NH2+]C1 ZINC000629661374 361594888 /nfs/dbraw/zinc/59/48/88/361594888.db2.gz BSOPDMJJDULCRF-HNNXBMFYSA-N 2 1 246.354 1.750 20 0 BDADMP C[C@]1(C[N@H+]2CCc3c(O)cccc3C2)CC[NH2+]C1 ZINC000629661374 361594891 /nfs/dbraw/zinc/59/48/91/361594891.db2.gz BSOPDMJJDULCRF-HNNXBMFYSA-N 2 1 246.354 1.750 20 0 BDADMP CC[C@@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000153769506 201248081 /nfs/dbraw/zinc/24/80/81/201248081.db2.gz ILFWNRFUOAXCOD-LLVKDONJSA-N 2 1 202.342 1.343 20 0 BDADMP CC[C@@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000153769506 201248084 /nfs/dbraw/zinc/24/80/84/201248084.db2.gz ILFWNRFUOAXCOD-LLVKDONJSA-N 2 1 202.342 1.343 20 0 BDADMP FC(F)(F)CCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000310036586 491159818 /nfs/dbraw/zinc/15/98/18/491159818.db2.gz UMCSEHQUQBDSGZ-NXEZZACHSA-N 2 1 236.281 1.870 20 0 BDADMP COC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000448555563 201261944 /nfs/dbraw/zinc/26/19/44/201261944.db2.gz MQKNAONRSGPCRY-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000448555563 201261946 /nfs/dbraw/zinc/26/19/46/201261946.db2.gz MQKNAONRSGPCRY-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154366835 201275514 /nfs/dbraw/zinc/27/55/14/201275514.db2.gz SIKDHWWZLLEDGZ-NEPJUHHUSA-N 2 1 216.369 1.467 20 0 BDADMP C[NH2+]CCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000435883576 201296055 /nfs/dbraw/zinc/29/60/55/201296055.db2.gz ZVFKFWGMHUNFHL-CQSZACIVSA-N 2 1 239.407 1.260 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(c2nccs2)CC1 ZINC000435884304 201295792 /nfs/dbraw/zinc/29/57/92/201295792.db2.gz QFOZVOMEFFVIOR-UHFFFAOYSA-N 2 1 239.388 1.932 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCOC2)CCN1C ZINC000438105834 201391092 /nfs/dbraw/zinc/39/10/92/201391092.db2.gz PEFHJSHXFNIHSO-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCOC2)CC[N@@H+]1C ZINC000438105834 201391096 /nfs/dbraw/zinc/39/10/96/201391096.db2.gz PEFHJSHXFNIHSO-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCOC2)CC[N@H+]1C ZINC000438105834 201391099 /nfs/dbraw/zinc/39/10/99/201391099.db2.gz PEFHJSHXFNIHSO-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCOC2)CC[NH+]1C ZINC000438105834 201391101 /nfs/dbraw/zinc/39/11/01/201391101.db2.gz PEFHJSHXFNIHSO-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCOC2)CC[NH+]1C ZINC000438105834 201391105 /nfs/dbraw/zinc/39/11/05/201391105.db2.gz PEFHJSHXFNIHSO-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CCCC[NH2+]1 ZINC000398196245 541306691 /nfs/dbraw/zinc/30/66/91/541306691.db2.gz ZILNMUVDQFXNQX-YVECIDJPSA-N 2 1 226.364 1.674 20 0 BDADMP Cc1cc(N[C@@H]2CC[NH2+]C23CCC3)nc(C)[nH+]1 ZINC000630524957 364212005 /nfs/dbraw/zinc/21/20/05/364212005.db2.gz WWGNOIBTHLKJIZ-LLVKDONJSA-N 2 1 232.331 1.790 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)CO)CC1 ZINC000134175326 364393522 /nfs/dbraw/zinc/39/35/22/364393522.db2.gz DEXYZMVVYNNAPC-MNOVXSKESA-N 2 1 214.353 1.077 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356774731 366851885 /nfs/dbraw/zinc/85/18/85/366851885.db2.gz DHJIVJFAFABEGE-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C(C1CC1)C1CC1 ZINC000579549932 366863101 /nfs/dbraw/zinc/86/31/01/366863101.db2.gz PKDPLFQYPYORER-ZDUSSCGKSA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C1CC1)C1CC1 ZINC000579549932 366863104 /nfs/dbraw/zinc/86/31/04/366863104.db2.gz PKDPLFQYPYORER-ZDUSSCGKSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000579549932 366863109 /nfs/dbraw/zinc/86/31/09/366863109.db2.gz PKDPLFQYPYORER-ZDUSSCGKSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000579549932 366863113 /nfs/dbraw/zinc/86/31/13/366863113.db2.gz PKDPLFQYPYORER-ZDUSSCGKSA-N 2 1 240.391 1.419 20 0 BDADMP Cc1[nH+]cc(CNc2ccccn2)n1C ZINC000573625901 364879851 /nfs/dbraw/zinc/87/98/51/364879851.db2.gz SMSOPDMLZJTYTL-UHFFFAOYSA-N 2 1 202.261 1.736 20 0 BDADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CCOC1 ZINC000352494863 181379490 /nfs/dbraw/zinc/37/94/90/181379490.db2.gz GINFMPPKQVZSPZ-AWEZNQCLSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@H]([NH2+]CC1(O)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000574073448 364982865 /nfs/dbraw/zinc/98/28/65/364982865.db2.gz DLAFBZXHFDJPOZ-GFCCVEGCSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563100 365087888 /nfs/dbraw/zinc/08/78/88/365087888.db2.gz QEHLIVZRRSZRBC-MBNYWOFBSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563100 365087889 /nfs/dbraw/zinc/08/78/89/365087889.db2.gz QEHLIVZRRSZRBC-MBNYWOFBSA-N 2 1 239.407 1.304 20 0 BDADMP [NH3+]C1(c2noc([C@@H]3CCCC[NH2+]3)n2)CCCC1 ZINC000574877047 365165028 /nfs/dbraw/zinc/16/50/28/365165028.db2.gz NTZXXPCKJGANPV-VIFPVBQESA-N 2 1 236.319 1.612 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000442918910 193005091 /nfs/dbraw/zinc/00/50/91/193005091.db2.gz IGEJYMAROPJGCS-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339193512 365452291 /nfs/dbraw/zinc/45/22/91/365452291.db2.gz GRTCIWNKHORDRN-ZGVCCVRISA-N 2 1 226.364 1.314 20 0 BDADMP CC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339193512 365452299 /nfs/dbraw/zinc/45/22/99/365452299.db2.gz GRTCIWNKHORDRN-ZGVCCVRISA-N 2 1 226.364 1.314 20 0 BDADMP CC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339193512 365452305 /nfs/dbraw/zinc/45/23/05/365452305.db2.gz GRTCIWNKHORDRN-ZGVCCVRISA-N 2 1 226.364 1.314 20 0 BDADMP C(C1CCC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887772 370855501 /nfs/dbraw/zinc/85/55/01/370855501.db2.gz QGVDHSQRBYQSAE-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP C(C1CCC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887772 370855506 /nfs/dbraw/zinc/85/55/06/370855506.db2.gz QGVDHSQRBYQSAE-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193638088 367195779 /nfs/dbraw/zinc/19/57/79/367195779.db2.gz FCGBCGQYZJWNOT-BETUJISGSA-N 2 1 248.374 1.030 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193638088 367195785 /nfs/dbraw/zinc/19/57/85/367195785.db2.gz FCGBCGQYZJWNOT-BETUJISGSA-N 2 1 248.374 1.030 20 0 BDADMP Cc1nn(C)c(C)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193638088 367195793 /nfs/dbraw/zinc/19/57/93/367195793.db2.gz FCGBCGQYZJWNOT-BETUJISGSA-N 2 1 248.374 1.030 20 0 BDADMP Cc1nn(C)c(C)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193638088 367195802 /nfs/dbraw/zinc/19/58/02/367195802.db2.gz FCGBCGQYZJWNOT-BETUJISGSA-N 2 1 248.374 1.030 20 0 BDADMP C[C@@H]1OCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000380582972 367246593 /nfs/dbraw/zinc/24/65/93/367246593.db2.gz YFPRKHLIUSXLMD-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1OCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000380582973 367246964 /nfs/dbraw/zinc/24/69/64/367246964.db2.gz YFPRKHLIUSXLMD-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@H](CSC)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000380973990 367328009 /nfs/dbraw/zinc/32/80/09/367328009.db2.gz BBKGLIKOEHVKCQ-VXGBXAGGSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@H](CSC)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000380973990 367328015 /nfs/dbraw/zinc/32/80/15/367328015.db2.gz BBKGLIKOEHVKCQ-VXGBXAGGSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@H](CSC)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000380973990 367328021 /nfs/dbraw/zinc/32/80/21/367328021.db2.gz BBKGLIKOEHVKCQ-VXGBXAGGSA-N 2 1 248.436 1.372 20 0 BDADMP CC[C@H](CSC)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000380973990 367328025 /nfs/dbraw/zinc/32/80/25/367328025.db2.gz BBKGLIKOEHVKCQ-VXGBXAGGSA-N 2 1 248.436 1.372 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000581185261 367286487 /nfs/dbraw/zinc/28/64/87/367286487.db2.gz NMOUJQFOKYAYEP-KGLIPLIRSA-N 2 1 237.391 1.546 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1(F)CC1 ZINC000381469836 367413923 /nfs/dbraw/zinc/41/39/23/367413923.db2.gz NWWFNPUJXPPWGB-JTQLQIEISA-N 2 1 225.311 1.919 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000382166833 367493541 /nfs/dbraw/zinc/49/35/41/367493541.db2.gz VCSNGDKCUSDPKM-DOERSZECSA-N 2 1 222.376 1.962 20 0 BDADMP C[C@H]1C[C@@H](NCCC[NH2+]C2CC2)CC[N@H+]1C ZINC000382578447 367543674 /nfs/dbraw/zinc/54/36/74/367543674.db2.gz IMPIUHCNOMYUFQ-AAEUAGOBSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000383083603 367595282 /nfs/dbraw/zinc/59/52/82/367595282.db2.gz USSIHOHOBWXIKC-CRWXNKLISA-N 2 1 240.391 1.739 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CCCC[C@@H]1O ZINC000383083603 367595285 /nfs/dbraw/zinc/59/52/85/367595285.db2.gz USSIHOHOBWXIKC-CRWXNKLISA-N 2 1 240.391 1.739 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000383518726 367631814 /nfs/dbraw/zinc/63/18/14/367631814.db2.gz IIEREASEJREYSM-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+](C)CCOCC[NH3+] ZINC000383881611 367657302 /nfs/dbraw/zinc/65/73/02/367657302.db2.gz WIYPVMUQKHPUOK-LLVKDONJSA-N 2 1 223.320 1.050 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000384108829 367672431 /nfs/dbraw/zinc/67/24/31/367672431.db2.gz GTUAPJCGWQRLHO-DZGCQCFKSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000384108829 367672434 /nfs/dbraw/zinc/67/24/34/367672434.db2.gz GTUAPJCGWQRLHO-DZGCQCFKSA-N 2 1 248.370 1.872 20 0 BDADMP Cc1ccc(O)c(C[N@@H+](C)C2CC([NH3+])C2)n1 ZINC000384718750 367720739 /nfs/dbraw/zinc/72/07/39/367720739.db2.gz GRHZZNOADXPYTN-UHFFFAOYSA-N 2 1 221.304 1.017 20 0 BDADMP Cc1ccc(O)c(C[N@H+](C)C2CC([NH3+])C2)n1 ZINC000384718750 367720744 /nfs/dbraw/zinc/72/07/44/367720744.db2.gz GRHZZNOADXPYTN-UHFFFAOYSA-N 2 1 221.304 1.017 20 0 BDADMP Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000385041708 367777645 /nfs/dbraw/zinc/77/76/45/367777645.db2.gz OCJVQOWEBUDJMT-TZMCWYRMSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000385050521 367778852 /nfs/dbraw/zinc/77/88/52/367778852.db2.gz QPWQHCKLPGHKCH-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385412487 367827817 /nfs/dbraw/zinc/82/78/17/367827817.db2.gz ZKDOOUOWPHORSF-XQQFMLRXSA-N 2 1 210.365 1.962 20 0 BDADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385412487 367827820 /nfs/dbraw/zinc/82/78/20/367827820.db2.gz ZKDOOUOWPHORSF-XQQFMLRXSA-N 2 1 210.365 1.962 20 0 BDADMP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000386016236 367899106 /nfs/dbraw/zinc/89/91/06/367899106.db2.gz NSHFXOUPHCSCBS-XQQFMLRXSA-N 2 1 228.380 1.922 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386560243 367992289 /nfs/dbraw/zinc/99/22/89/367992289.db2.gz IXLINWAGASNMSG-NNYUYHANSA-N 2 1 246.420 1.219 20 0 BDADMP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCCN1 ZINC000386576024 367994777 /nfs/dbraw/zinc/99/47/77/367994777.db2.gz NFGZCINXFITQNT-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386387133 367959841 /nfs/dbraw/zinc/95/98/41/367959841.db2.gz FCFKSADYZMOJRN-KWCYVHTRSA-N 2 1 242.407 1.904 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386620912 368003518 /nfs/dbraw/zinc/00/35/18/368003518.db2.gz YEGPHOPVBTWZRV-CHWSQXEVSA-N 2 1 227.396 1.447 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566689807 326075293 /nfs/dbraw/zinc/07/52/93/326075293.db2.gz VKEDBPZXVWWSSW-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566689807 326075297 /nfs/dbraw/zinc/07/52/97/326075297.db2.gz VKEDBPZXVWWSSW-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000253180067 368590917 /nfs/dbraw/zinc/59/09/17/368590917.db2.gz DGHGXRJPSCUGGR-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP COCC1(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000567167368 326127820 /nfs/dbraw/zinc/12/78/20/326127820.db2.gz QGRVOCSMQFVHIN-NWDGAFQWSA-N 2 1 226.364 1.391 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000086874078 368886187 /nfs/dbraw/zinc/88/61/87/368886187.db2.gz LTIRHYOKNSVPJE-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631827312 368993001 /nfs/dbraw/zinc/99/30/01/368993001.db2.gz LBFJTUOPEFAJSX-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631827312 368993006 /nfs/dbraw/zinc/99/30/06/368993006.db2.gz LBFJTUOPEFAJSX-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000310475963 326193511 /nfs/dbraw/zinc/19/35/11/326193511.db2.gz BUPDBIPMOPJHKE-MQYQWHSLSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000310475963 326193512 /nfs/dbraw/zinc/19/35/12/326193512.db2.gz BUPDBIPMOPJHKE-MQYQWHSLSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000310475963 326193513 /nfs/dbraw/zinc/19/35/13/326193513.db2.gz BUPDBIPMOPJHKE-MQYQWHSLSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000310475963 326193515 /nfs/dbraw/zinc/19/35/15/326193515.db2.gz BUPDBIPMOPJHKE-MQYQWHSLSA-N 2 1 242.407 1.665 20 0 BDADMP CN(CCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000459343124 203260753 /nfs/dbraw/zinc/26/07/53/203260753.db2.gz LJPSRDXQBSAXOC-CQSZACIVSA-N 2 1 248.374 1.131 20 0 BDADMP CN(CCc1c[nH+]cn1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000459343124 203260757 /nfs/dbraw/zinc/26/07/57/203260757.db2.gz LJPSRDXQBSAXOC-CQSZACIVSA-N 2 1 248.374 1.131 20 0 BDADMP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459522170 203296064 /nfs/dbraw/zinc/29/60/64/203296064.db2.gz HOLKBQYAIYKMJI-IBUXWKBASA-N 2 1 238.375 1.530 20 0 BDADMP CCOc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574307 369354117 /nfs/dbraw/zinc/35/41/17/369354117.db2.gz SIRHJJZAVZPVMM-ZIAGYGMSSA-N 2 1 246.354 1.737 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC000459738589 203348261 /nfs/dbraw/zinc/34/82/61/203348261.db2.gz RYNJINHWUGEBSA-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP CCOC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459744937 203351081 /nfs/dbraw/zinc/35/10/81/203351081.db2.gz YHIOPOJZWAZBRZ-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1CC1 ZINC000165256794 203383235 /nfs/dbraw/zinc/38/32/35/203383235.db2.gz YOTYDCZAOANAEF-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C1CC1 ZINC000165256794 203383238 /nfs/dbraw/zinc/38/32/38/203383238.db2.gz YOTYDCZAOANAEF-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794073 203370218 /nfs/dbraw/zinc/37/02/18/203370218.db2.gz WKUMNESDURCBIS-RUZUBIRVSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794073 203370222 /nfs/dbraw/zinc/37/02/22/203370222.db2.gz WKUMNESDURCBIS-RUZUBIRVSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000459794889 203371442 /nfs/dbraw/zinc/37/14/42/203371442.db2.gz UVRQVLFAZZZKNE-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCF)CC12CCOCC2 ZINC000567894800 326278290 /nfs/dbraw/zinc/27/82/90/326278290.db2.gz VIPJEPXWIYZBQE-LLVKDONJSA-N 2 1 230.327 1.033 20 0 BDADMP C[C@H](c1cccnc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453356 370045556 /nfs/dbraw/zinc/04/55/56/370045556.db2.gz HVGYHZQHAJYPEQ-WXHSDQCUSA-N 2 1 217.316 1.294 20 0 BDADMP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000621249399 370183223 /nfs/dbraw/zinc/18/32/23/370183223.db2.gz RLGHDHXRWNLEHR-STQMWFEESA-N 2 1 217.316 1.041 20 0 BDADMP C[NH2+]C1(CNc2cc(C)[nH+]c(C)n2)CCC1 ZINC000621323529 370252567 /nfs/dbraw/zinc/25/25/67/370252567.db2.gz FKOVZEOBLHCBTL-UHFFFAOYSA-N 2 1 220.320 1.069 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1CO ZINC000621372528 370311336 /nfs/dbraw/zinc/31/13/36/370311336.db2.gz XBEQLIWEWXGXTF-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CO ZINC000621372528 370311341 /nfs/dbraw/zinc/31/13/41/370311341.db2.gz XBEQLIWEWXGXTF-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1CO ZINC000621372528 370311345 /nfs/dbraw/zinc/31/13/45/370311345.db2.gz XBEQLIWEWXGXTF-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)c1nccn1C[C@H](O)C[N@H+](C)C(C)C ZINC000310412018 370342659 /nfs/dbraw/zinc/34/26/59/370342659.db2.gz PAUAIVBAEBURPA-GFCCVEGCSA-N 2 1 239.363 1.708 20 0 BDADMP CC(C)c1[nH+]ccn1C[C@H](O)C[N@@H+](C)C(C)C ZINC000310412018 370342668 /nfs/dbraw/zinc/34/26/68/370342668.db2.gz PAUAIVBAEBURPA-GFCCVEGCSA-N 2 1 239.363 1.708 20 0 BDADMP CC(C)c1[nH+]ccn1C[C@H](O)C[N@H+](C)C(C)C ZINC000310412018 370342672 /nfs/dbraw/zinc/34/26/72/370342672.db2.gz PAUAIVBAEBURPA-GFCCVEGCSA-N 2 1 239.363 1.708 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000310489658 370347839 /nfs/dbraw/zinc/34/78/39/370347839.db2.gz FQMGMIOEBRCIJB-MELADBBJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@@H]1C ZINC000310489658 370347844 /nfs/dbraw/zinc/34/78/44/370347844.db2.gz FQMGMIOEBRCIJB-MELADBBJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@@H]1C ZINC000310489658 370347849 /nfs/dbraw/zinc/34/78/49/370347849.db2.gz FQMGMIOEBRCIJB-MELADBBJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000310489658 370347857 /nfs/dbraw/zinc/34/78/57/370347857.db2.gz FQMGMIOEBRCIJB-MELADBBJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000310489658 370347861 /nfs/dbraw/zinc/34/78/61/370347861.db2.gz FQMGMIOEBRCIJB-MELADBBJSA-N 2 1 242.407 1.810 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000310489655 370348191 /nfs/dbraw/zinc/34/81/91/370348191.db2.gz FQMGMIOEBRCIJB-HZSPNIEDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1C ZINC000310489655 370348195 /nfs/dbraw/zinc/34/81/95/370348195.db2.gz FQMGMIOEBRCIJB-HZSPNIEDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1C ZINC000310489655 370348199 /nfs/dbraw/zinc/34/81/99/370348199.db2.gz FQMGMIOEBRCIJB-HZSPNIEDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000310489655 370348203 /nfs/dbraw/zinc/34/82/03/370348203.db2.gz FQMGMIOEBRCIJB-HZSPNIEDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000310489655 370348208 /nfs/dbraw/zinc/34/82/08/370348208.db2.gz FQMGMIOEBRCIJB-HZSPNIEDSA-N 2 1 242.407 1.810 20 0 BDADMP CCn1cc(CC[NH+]2CCC([NH2+]C)CC2)cn1 ZINC000621774013 370517509 /nfs/dbraw/zinc/51/75/09/370517509.db2.gz IMDGYDAJMLAWOQ-UHFFFAOYSA-N 2 1 236.363 1.129 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000066124541 370552538 /nfs/dbraw/zinc/55/25/38/370552538.db2.gz HUVWVVKSJMJMPW-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC000066124541 370552541 /nfs/dbraw/zinc/55/25/41/370552541.db2.gz HUVWVVKSJMJMPW-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CC[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC000066124541 370552547 /nfs/dbraw/zinc/55/25/47/370552547.db2.gz HUVWVVKSJMJMPW-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CCn1cc(CC[NH2+][C@@](C)(C[NH3+])C2CC2)cn1 ZINC000621775264 370523520 /nfs/dbraw/zinc/52/35/20/370523520.db2.gz JZXYRCIEARZRHA-ZDUSSCGKSA-N 2 1 236.363 1.163 20 0 BDADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccn1 ZINC000621776286 370524025 /nfs/dbraw/zinc/52/40/25/370524025.db2.gz IANIWFSSOYNEAI-LBPRGKRZSA-N 2 1 221.348 1.853 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000621778456 370527794 /nfs/dbraw/zinc/52/77/94/370527794.db2.gz PRGSGJBIICBQTF-UONOGXRCSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000621778456 370527797 /nfs/dbraw/zinc/52/77/97/370527797.db2.gz PRGSGJBIICBQTF-UONOGXRCSA-N 2 1 216.328 2.000 20 0 BDADMP COCCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783168 370532462 /nfs/dbraw/zinc/53/24/62/370532462.db2.gz YBOIERITGPXYNS-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCCCF)C2 ZINC000621784034 370534086 /nfs/dbraw/zinc/53/40/86/370534086.db2.gz IQQOOCCWWKJPGW-NEPJUHHUSA-N 2 1 214.328 1.939 20 0 BDADMP CCn1cc(CC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621783416 370534194 /nfs/dbraw/zinc/53/41/94/370534194.db2.gz BCWRKDIEIWJGDX-KGLIPLIRSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621783416 370534198 /nfs/dbraw/zinc/53/41/98/370534198.db2.gz BCWRKDIEIWJGDX-KGLIPLIRSA-N 2 1 248.374 1.259 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623946924 371172750 /nfs/dbraw/zinc/17/27/50/371172750.db2.gz MOOHPHVFNBSZJS-WCQYABFASA-N 2 1 228.380 1.610 20 0 BDADMP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000624109417 371313295 /nfs/dbraw/zinc/31/32/95/371313295.db2.gz WVQBKBMIZCZYFQ-ZDUSSCGKSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122162 371322692 /nfs/dbraw/zinc/32/26/92/371322692.db2.gz LIXDBDKMRTXLPI-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000624218831 371407158 /nfs/dbraw/zinc/40/71/58/371407158.db2.gz CKMKAZWPJCMZFG-RVMXOQNASA-N 2 1 226.364 1.077 20 0 BDADMP CCc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nc(C)[nH+]1 ZINC000624256757 371441659 /nfs/dbraw/zinc/44/16/59/371441659.db2.gz GFJCDJOEASHQBL-IMRBUKKESA-N 2 1 246.358 1.344 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000624309732 371472023 /nfs/dbraw/zinc/47/20/23/371472023.db2.gz WBQHUEFPGDIOBM-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP c1n[nH]cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000157022250 371516225 /nfs/dbraw/zinc/51/62/25/371516225.db2.gz LKASTZCLCYHGTO-UHFFFAOYSA-N 2 1 222.336 1.375 20 0 BDADMP CCC[C@@H](CCO)[NH2+]C1CC[NH+](CC)CC1 ZINC000631667314 372493582 /nfs/dbraw/zinc/49/35/82/372493582.db2.gz NJTWIFGOTJNVKB-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000631823866 372601951 /nfs/dbraw/zinc/60/19/51/372601951.db2.gz PMOQNGJMNMKDAO-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCO[C@H]1C ZINC000631822218 372598289 /nfs/dbraw/zinc/59/82/89/372598289.db2.gz WVOQBYIPPWCDDK-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000631827200 372607689 /nfs/dbraw/zinc/60/76/89/372607689.db2.gz HUBKJBHPKQCBFD-LPWJVIDDSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000631827264 372607856 /nfs/dbraw/zinc/60/78/56/372607856.db2.gz JTPWEHXHMFGZLU-GUBZILKMSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000631827264 372607857 /nfs/dbraw/zinc/60/78/57/372607857.db2.gz JTPWEHXHMFGZLU-GUBZILKMSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840026 372636896 /nfs/dbraw/zinc/63/68/96/372636896.db2.gz OJXSJWZVYJMDGC-NTZNESFSSA-N 2 1 219.332 1.669 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000631841278 372638950 /nfs/dbraw/zinc/63/89/50/372638950.db2.gz IRPVMMJMQCGREZ-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000631841278 372638957 /nfs/dbraw/zinc/63/89/57/372638957.db2.gz IRPVMMJMQCGREZ-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000631825294 372604181 /nfs/dbraw/zinc/60/41/81/372604181.db2.gz DXZDDGYUMBIBEZ-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000631827490 372605735 /nfs/dbraw/zinc/60/57/35/372605735.db2.gz PGVRIGZIKARZFM-DCAQKATOSA-N 2 1 214.353 1.374 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000631827489 372605854 /nfs/dbraw/zinc/60/58/54/372605854.db2.gz PGVRIGZIKARZFM-AXFHLTTASA-N 2 1 214.353 1.374 20 0 BDADMP Cc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631865874 372666434 /nfs/dbraw/zinc/66/64/34/372666434.db2.gz IMUDLAVPHDANMS-UHFFFAOYSA-N 2 1 248.370 1.541 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890036 372683520 /nfs/dbraw/zinc/68/35/20/372683520.db2.gz LVPBDKBUNUHVAY-DZGCQCFKSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890036 372683526 /nfs/dbraw/zinc/68/35/26/372683526.db2.gz LVPBDKBUNUHVAY-DZGCQCFKSA-N 2 1 245.370 1.964 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000142803527 374044480 /nfs/dbraw/zinc/04/44/80/374044480.db2.gz FUDDCZSYXZHRSG-UONOGXRCSA-N 2 1 246.354 1.737 20 0 BDADMP CC[NH2+][C@@H](C)c1nc(C2([NH3+])CCCC2)no1 ZINC000634555526 374311451 /nfs/dbraw/zinc/31/14/51/374311451.db2.gz MLULNJOQVAWWMJ-QMMMGPOBSA-N 2 1 224.308 1.468 20 0 BDADMP CCOC(=O)CC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420306459 206024429 /nfs/dbraw/zinc/02/44/29/206024429.db2.gz HNJPAEPLQDALHW-GFCCVEGCSA-N 2 1 242.363 1.404 20 0 BDADMP OCC[N@@H+](CCC[NH+]1CCCCC1)CC1CC1 ZINC000352490279 183066332 /nfs/dbraw/zinc/06/63/32/183066332.db2.gz HVSZTXIIVLUJLK-UHFFFAOYSA-N 2 1 240.391 1.567 20 0 BDADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357358902 169067272 /nfs/dbraw/zinc/06/72/72/169067272.db2.gz XWFYZNMHZQCHGC-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP O[C@H](C[NH2+]Cc1ccccc1)C[NH+]1CCCC1 ZINC000037859670 183224209 /nfs/dbraw/zinc/22/42/09/183224209.db2.gz MYAKUNIIRCKROH-CQSZACIVSA-N 2 1 234.343 1.233 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000228509869 169121146 /nfs/dbraw/zinc/12/11/46/169121146.db2.gz CMYCJHVSJLNNTL-NEPJUHHUSA-N 2 1 243.395 1.208 20 0 BDADMP Oc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020129123 183289507 /nfs/dbraw/zinc/28/95/07/183289507.db2.gz ZHYOFDBXWHZSHX-UHFFFAOYSA-N 2 1 234.343 1.968 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CC2(C)COC2)CC1 ZINC000336715986 169186489 /nfs/dbraw/zinc/18/64/89/169186489.db2.gz VKUNKXCPFWDNJL-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+]1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000020189555 169188007 /nfs/dbraw/zinc/18/80/07/169188007.db2.gz OQQYFUICNJYJOI-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374429012 169204856 /nfs/dbraw/zinc/20/48/56/169204856.db2.gz NNFCPVMWZSBNDK-YNEHKIRRSA-N 2 1 226.364 1.580 20 0 BDADMP c1[nH]nc2c1cccc2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359453317 183348637 /nfs/dbraw/zinc/34/86/37/183348637.db2.gz DFKALTMACCKGEA-BETUJISGSA-N 2 1 242.326 1.214 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336727509 169379241 /nfs/dbraw/zinc/37/92/41/169379241.db2.gz HHNDLENMTCYQBI-VXGBXAGGSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336727509 169379243 /nfs/dbraw/zinc/37/92/43/169379243.db2.gz HHNDLENMTCYQBI-VXGBXAGGSA-N 2 1 214.353 1.221 20 0 BDADMP COC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000220831848 134316152 /nfs/dbraw/zinc/31/61/52/134316152.db2.gz AVSJURKTYXGXEI-UHFFFAOYSA-N 2 1 224.348 1.380 20 0 BDADMP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223006710 134336255 /nfs/dbraw/zinc/33/62/55/134336255.db2.gz RBNTUYMZLJMOLR-AAEUAGOBSA-N 2 1 236.363 1.264 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)C)[C@@H](C)C1 ZINC000223199284 134337453 /nfs/dbraw/zinc/33/74/53/134337453.db2.gz OKJUPXFJWPLMJC-XQQFMLRXSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183868720 134356872 /nfs/dbraw/zinc/35/68/72/134356872.db2.gz KDKAEMHYMARTSQ-PSEXLTFBSA-N 2 1 226.364 1.218 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226867967 134370143 /nfs/dbraw/zinc/37/01/43/134370143.db2.gz WAFJYAZLLNGTOU-SRVKXCTJSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CS1 ZINC000226863990 134370512 /nfs/dbraw/zinc/37/05/12/134370512.db2.gz AFHKPTXINZJKDM-QCNOEVLYSA-N 2 1 228.405 1.953 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000070074075 383860171 /nfs/dbraw/zinc/86/01/71/383860171.db2.gz JPXKDXXEUODRLV-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COCC2(C)C)CC[N@@H+]1C ZINC000313121834 383908716 /nfs/dbraw/zinc/90/87/16/383908716.db2.gz LFLHNYXWWQUJMW-IJLUTSLNSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COCC2(C)C)CC[N@H+]1C ZINC000313121834 383908720 /nfs/dbraw/zinc/90/87/20/383908720.db2.gz LFLHNYXWWQUJMW-IJLUTSLNSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](C)CC1 ZINC000313140720 383934779 /nfs/dbraw/zinc/93/47/79/383934779.db2.gz HOTXGVOPOFMMOI-VXGBXAGGSA-N 2 1 214.353 1.220 20 0 BDADMP CO[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000400229017 383925459 /nfs/dbraw/zinc/92/54/59/383925459.db2.gz QULBIOYJTOIEIY-ZDUSSCGKSA-N 2 1 224.348 1.263 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541902 383941507 /nfs/dbraw/zinc/94/15/07/383941507.db2.gz PCDNVGVRGBBJGV-JQWIXIFHSA-N 2 1 236.363 1.901 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CO1 ZINC000647216429 384019942 /nfs/dbraw/zinc/01/99/42/384019942.db2.gz JTJULTKEMUHUFX-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1cccc(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000335849182 384007629 /nfs/dbraw/zinc/00/76/29/384007629.db2.gz GHXKEXOAUCIHDK-AWEZNQCLSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cccc(N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC000335849182 384007634 /nfs/dbraw/zinc/00/76/34/384007634.db2.gz GHXKEXOAUCIHDK-AWEZNQCLSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cccc(N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC000335849182 384007639 /nfs/dbraw/zinc/00/76/39/384007639.db2.gz GHXKEXOAUCIHDK-AWEZNQCLSA-N 2 1 231.343 1.922 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119957321 384040755 /nfs/dbraw/zinc/04/07/55/384040755.db2.gz CYVUCRULXCJEKB-GWCFXTLKSA-N 2 1 224.348 1.380 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310250783 384104831 /nfs/dbraw/zinc/10/48/31/384104831.db2.gz KIASKEBFSJBVCT-JSGCOSHPSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401846949 384122668 /nfs/dbraw/zinc/12/26/68/384122668.db2.gz UUOLOCOEYLMSOH-FOJMLEQCSA-N 2 1 224.348 1.379 20 0 BDADMP CCOC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000313250736 384154357 /nfs/dbraw/zinc/15/43/57/384154357.db2.gz SWKHRQJCLCCVFD-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCOCC2)CC[N@@H+]1C ZINC000090720864 384171717 /nfs/dbraw/zinc/17/17/17/384171717.db2.gz RLAHUUROSSUVJL-CMPLNLGQSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCOCC2)CC[N@H+]1C ZINC000090720864 384171720 /nfs/dbraw/zinc/17/17/20/384171720.db2.gz RLAHUUROSSUVJL-CMPLNLGQSA-N 2 1 212.337 1.238 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000050368878 384194960 /nfs/dbraw/zinc/19/49/60/384194960.db2.gz PJTLKBWRJSPWTJ-VXGBXAGGSA-N 2 1 212.337 1.238 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@H]2CCC[C@@H]21 ZINC000560530686 384197545 /nfs/dbraw/zinc/19/75/45/384197545.db2.gz RPSXBZIXFCPJMG-AGIUHOORSA-N 2 1 234.347 1.372 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@H]2CCC[C@@H]21 ZINC000560530686 384197549 /nfs/dbraw/zinc/19/75/49/384197549.db2.gz RPSXBZIXFCPJMG-AGIUHOORSA-N 2 1 234.347 1.372 20 0 BDADMP COC[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000173522568 384224539 /nfs/dbraw/zinc/22/45/39/384224539.db2.gz MBXCBZKWMMJKLF-JTQLQIEISA-N 2 1 200.326 1.047 20 0 BDADMP Cn1cccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604558 384250651 /nfs/dbraw/zinc/25/06/51/384250651.db2.gz YSBFYUWWRIGZAT-CQSZACIVSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1cccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604558 384250659 /nfs/dbraw/zinc/25/06/59/384250659.db2.gz YSBFYUWWRIGZAT-CQSZACIVSA-N 2 1 247.386 1.943 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000228476847 384259809 /nfs/dbraw/zinc/25/98/09/384259809.db2.gz IOIASFWPGKIWHX-MRVWCRGKSA-N 2 1 231.343 1.641 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313340145 384270337 /nfs/dbraw/zinc/27/03/37/384270337.db2.gz LPYMHHAPDHKGQF-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC[NH3+] ZINC000082929062 384276320 /nfs/dbraw/zinc/27/63/20/384276320.db2.gz ZSSLQFNAJANEJG-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[NH3+] ZINC000082929062 384276326 /nfs/dbraw/zinc/27/63/26/384276326.db2.gz ZSSLQFNAJANEJG-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](Cc2ccsc2)CCCO1 ZINC000313377929 384314447 /nfs/dbraw/zinc/31/44/47/384314447.db2.gz FTQHCHSPFPRCDV-NSHDSACASA-N 2 1 226.345 1.298 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccsc2)CCCO1 ZINC000313377929 384314456 /nfs/dbraw/zinc/31/44/56/384314456.db2.gz FTQHCHSPFPRCDV-NSHDSACASA-N 2 1 226.345 1.298 20 0 BDADMP COC[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173955218 384291063 /nfs/dbraw/zinc/29/10/63/384291063.db2.gz JAODHPZISLFHQD-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173955218 384291069 /nfs/dbraw/zinc/29/10/69/384291069.db2.gz JAODHPZISLFHQD-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173955218 384291075 /nfs/dbraw/zinc/29/10/75/384291075.db2.gz JAODHPZISLFHQD-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc1 ZINC000647509849 384345235 /nfs/dbraw/zinc/34/52/35/384345235.db2.gz GYISPCQXIPYOSR-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc1 ZINC000647509849 384345238 /nfs/dbraw/zinc/34/52/38/384345238.db2.gz GYISPCQXIPYOSR-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP FCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308829315 384329644 /nfs/dbraw/zinc/32/96/44/384329644.db2.gz IXJVEZKPHYLQNQ-RYUDHWBXSA-N 2 1 214.328 1.810 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000556453767 384392253 /nfs/dbraw/zinc/39/22/53/384392253.db2.gz CLDZQYWLURAICC-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000556453767 384392261 /nfs/dbraw/zinc/39/22/61/384392261.db2.gz CLDZQYWLURAICC-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622672 384396076 /nfs/dbraw/zinc/39/60/76/384396076.db2.gz SZRBZBOEGVXBAI-MCIONIFRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccsc2)C1 ZINC000235440369 384398219 /nfs/dbraw/zinc/39/82/19/384398219.db2.gz SYRNWKRAJRAZSN-NSHDSACASA-N 2 1 210.346 1.919 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229057970 384416692 /nfs/dbraw/zinc/41/66/92/384416692.db2.gz MENFRLXNJHVESE-CABZTGNLSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229057970 384416699 /nfs/dbraw/zinc/41/66/99/384416699.db2.gz MENFRLXNJHVESE-CABZTGNLSA-N 2 1 237.347 1.708 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084215633 384378060 /nfs/dbraw/zinc/37/80/60/384378060.db2.gz QGEXMVZPGGJRAZ-VXGBXAGGSA-N 3 1 213.369 1.045 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335607346 384381705 /nfs/dbraw/zinc/38/17/05/384381705.db2.gz RBUFMAWUCXXHPJ-ZYHUDNBSSA-N 2 1 210.321 1.015 20 0 BDADMP N[C@H]1C[C@H]([NH2+]CCCC[NH3+])c2ccccc21 ZINC000147855830 384455199 /nfs/dbraw/zinc/45/51/99/384455199.db2.gz MFUKYKDHABELAJ-STQMWFEESA-N 2 1 219.332 1.460 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCOCC1 ZINC000082544842 384430656 /nfs/dbraw/zinc/43/06/56/384430656.db2.gz VGZAXBZNHVMUBS-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1 ZINC000122304685 384472688 /nfs/dbraw/zinc/47/26/88/384472688.db2.gz FEYHLHVXAXJXNO-ZYHUDNBSSA-N 2 1 222.307 1.995 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)OC)[C@H](C)C1 ZINC000175729600 384481962 /nfs/dbraw/zinc/48/19/62/384481962.db2.gz JUFHUZQYTQMTHF-VXGBXAGGSA-N 2 1 242.363 1.212 20 0 BDADMP CCc1nocc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000561042886 384458943 /nfs/dbraw/zinc/45/89/43/384458943.db2.gz AIPQFIOQBSGSSL-NSHDSACASA-N 2 1 237.347 1.668 20 0 BDADMP Cc1cccc(CC[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000449243727 384501212 /nfs/dbraw/zinc/50/12/12/384501212.db2.gz MSWAFAAOINTQBK-HNNXBMFYSA-N 2 1 248.370 1.194 20 0 BDADMP Cc1cccc(CC[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000449243727 384501214 /nfs/dbraw/zinc/50/12/14/384501214.db2.gz MSWAFAAOINTQBK-HNNXBMFYSA-N 2 1 248.370 1.194 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000397398277 384553903 /nfs/dbraw/zinc/55/39/03/384553903.db2.gz QCCGCCMZOSSHIC-OUAUKWLOSA-N 2 1 239.388 1.948 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cncs2)C[C@H]1C[NH3+] ZINC000397398277 384553912 /nfs/dbraw/zinc/55/39/12/384553912.db2.gz QCCGCCMZOSSHIC-OUAUKWLOSA-N 2 1 239.388 1.948 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000154351200 384610113 /nfs/dbraw/zinc/61/01/13/384610113.db2.gz HGWCZQSNAUHRKR-IHRRRGAJSA-N 2 1 240.391 1.467 20 0 BDADMP CC1([NH3+])CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000647531412 384620795 /nfs/dbraw/zinc/62/07/95/384620795.db2.gz UUIOEZRRMKSQIX-UHFFFAOYSA-N 2 1 247.342 1.099 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)COC)C1 ZINC000176279017 384594380 /nfs/dbraw/zinc/59/43/80/384594380.db2.gz SEYQZIOBZCKIPZ-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC000176279017 384594388 /nfs/dbraw/zinc/59/43/88/384594388.db2.gz SEYQZIOBZCKIPZ-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC000176279017 384594393 /nfs/dbraw/zinc/59/43/93/384594393.db2.gz SEYQZIOBZCKIPZ-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000358085509 384694951 /nfs/dbraw/zinc/69/49/51/384694951.db2.gz VFFKTHNROYIOEN-DGCLKSJQSA-N 2 1 249.358 1.520 20 0 BDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000358085509 384694955 /nfs/dbraw/zinc/69/49/55/384694955.db2.gz VFFKTHNROYIOEN-DGCLKSJQSA-N 2 1 249.358 1.520 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCOC1 ZINC000363700398 384709500 /nfs/dbraw/zinc/70/95/00/384709500.db2.gz WBLZUTHRUIKWFS-YNEHKIRRSA-N 2 1 249.358 1.460 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccnc2)C1 ZINC000173897860 384730819 /nfs/dbraw/zinc/73/08/19/384730819.db2.gz FYDAUNCWVFYDEE-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000173897860 384730825 /nfs/dbraw/zinc/73/08/25/384730825.db2.gz FYDAUNCWVFYDEE-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000173897860 384730830 /nfs/dbraw/zinc/73/08/30/384730830.db2.gz FYDAUNCWVFYDEE-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546951 384732978 /nfs/dbraw/zinc/73/29/78/384732978.db2.gz IBTYYRQRJIWPCC-MRTXSQPYSA-N 3 1 237.391 1.105 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647550200 384745828 /nfs/dbraw/zinc/74/58/28/384745828.db2.gz FMCYYLXIQNKVGC-OLZOCXBDSA-N 2 1 242.407 1.763 20 0 BDADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553202 384769494 /nfs/dbraw/zinc/76/94/94/384769494.db2.gz ICELHMWYZSFQOJ-UHFFFAOYSA-N 2 1 230.315 1.467 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(C)C ZINC000361816286 384819119 /nfs/dbraw/zinc/81/91/19/384819119.db2.gz XKEAPAPPRGEQJS-REWJHTLYSA-N 2 1 242.407 1.976 20 0 BDADMP CCO[C@H]1C[C@H]([N@@H+](C)CCOCC[NH3+])C1(C)C ZINC000357103678 384820017 /nfs/dbraw/zinc/82/00/17/384820017.db2.gz KOEDLGSUYIDHJE-RYUDHWBXSA-N 2 1 244.379 1.097 20 0 BDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCOCC[NH3+])C1(C)C ZINC000357103686 384820344 /nfs/dbraw/zinc/82/03/44/384820344.db2.gz KOEDLGSUYIDHJE-VXGBXAGGSA-N 2 1 244.379 1.097 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1(C)C ZINC000361926699 384825432 /nfs/dbraw/zinc/82/54/32/384825432.db2.gz REDTYGHQGJDYNS-ZDEQEGDKSA-N 2 1 240.391 1.730 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000361926699 384825439 /nfs/dbraw/zinc/82/54/39/384825439.db2.gz REDTYGHQGJDYNS-ZDEQEGDKSA-N 2 1 240.391 1.730 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@@H+]1C ZINC000300415250 384785414 /nfs/dbraw/zinc/78/54/14/384785414.db2.gz UDAZZPVCYSWMMR-ZRJCITRHSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1C ZINC000300415250 384785420 /nfs/dbraw/zinc/78/54/20/384785420.db2.gz UDAZZPVCYSWMMR-ZRJCITRHSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H](C[NH3+])N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423329117 384806244 /nfs/dbraw/zinc/80/62/44/384806244.db2.gz ONTCNTMWCFBINT-VHDGCEQUSA-N 2 1 247.386 1.759 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000363787242 384885252 /nfs/dbraw/zinc/88/52/52/384885252.db2.gz XBUYOUZKBRPHDT-FPMFFAJLSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000363787242 384885258 /nfs/dbraw/zinc/88/52/58/384885258.db2.gz XBUYOUZKBRPHDT-FPMFFAJLSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nccn1C ZINC000423363581 384841129 /nfs/dbraw/zinc/84/11/29/384841129.db2.gz AAOMFXDPWWNQJU-UTUOFQBUSA-N 2 1 236.363 1.731 20 0 BDADMP Cn1cccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000084224724 384850629 /nfs/dbraw/zinc/85/06/29/384850629.db2.gz TXUAHEFYSBBBGE-CHWSQXEVSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000084224724 384850631 /nfs/dbraw/zinc/85/06/31/384850631.db2.gz TXUAHEFYSBBBGE-CHWSQXEVSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000084224724 384850637 /nfs/dbraw/zinc/85/06/37/384850637.db2.gz TXUAHEFYSBBBGE-CHWSQXEVSA-N 2 1 233.359 1.742 20 0 BDADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162974 384899613 /nfs/dbraw/zinc/89/96/13/384899613.db2.gz HUHJSKFCPDPVPU-NWANDNLSSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162974 384899623 /nfs/dbraw/zinc/89/96/23/384899623.db2.gz HUHJSKFCPDPVPU-NWANDNLSSA-N 2 1 248.370 1.792 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccns3)C[C@@H]21 ZINC000404437660 384987079 /nfs/dbraw/zinc/98/70/79/384987079.db2.gz HTIJXFIZSNFWHC-ADEWGFFLSA-N 2 1 237.372 1.702 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccns3)C[C@@H]21 ZINC000404437660 384987088 /nfs/dbraw/zinc/98/70/88/384987088.db2.gz HTIJXFIZSNFWHC-ADEWGFFLSA-N 2 1 237.372 1.702 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000129382126 384999547 /nfs/dbraw/zinc/99/95/47/384999547.db2.gz PIMUQFWVKZQQDG-GFCCVEGCSA-N 2 1 214.353 1.077 20 0 BDADMP C[N@@H+](Cc1coc2ccccc12)C[C@H](O)C[NH3+] ZINC000259131150 384961750 /nfs/dbraw/zinc/96/17/50/384961750.db2.gz UGFWHFGSKPYKAN-LLVKDONJSA-N 2 1 234.299 1.184 20 0 BDADMP C[N@H+](Cc1coc2ccccc12)C[C@H](O)C[NH3+] ZINC000259131150 384961757 /nfs/dbraw/zinc/96/17/57/384961757.db2.gz UGFWHFGSKPYKAN-LLVKDONJSA-N 2 1 234.299 1.184 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCC[NH+](C)C1 ZINC000259128602 384962629 /nfs/dbraw/zinc/96/26/29/384962629.db2.gz WMUPMUNUZQPUTQ-ZIAGYGMSSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000259128602 384962636 /nfs/dbraw/zinc/96/26/36/384962636.db2.gz WMUPMUNUZQPUTQ-ZIAGYGMSSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000259128602 384962641 /nfs/dbraw/zinc/96/26/41/384962641.db2.gz WMUPMUNUZQPUTQ-ZIAGYGMSSA-N 3 1 239.407 1.260 20 0 BDADMP CN1CCC[C@@H](C[N@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000259128602 384962646 /nfs/dbraw/zinc/96/26/46/384962646.db2.gz WMUPMUNUZQPUTQ-ZIAGYGMSSA-N 2 1 239.407 1.260 20 0 BDADMP CN1CCC[C@@H](C[N@@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000259128602 384962651 /nfs/dbraw/zinc/96/26/51/384962651.db2.gz WMUPMUNUZQPUTQ-ZIAGYGMSSA-N 2 1 239.407 1.260 20 0 BDADMP C[N@H+](Cc1ccc(F)c(F)c1)C1CC([NH3+])C1 ZINC000336233431 385062558 /nfs/dbraw/zinc/06/25/58/385062558.db2.gz JKWWIMLXTUGROD-UHFFFAOYSA-N 2 1 226.270 1.886 20 0 BDADMP C[N@@H+](Cc1ccc(F)c(F)c1)C1CC([NH3+])C1 ZINC000336233431 385062569 /nfs/dbraw/zinc/06/25/69/385062569.db2.gz JKWWIMLXTUGROD-UHFFFAOYSA-N 2 1 226.270 1.886 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000340490014 385071545 /nfs/dbraw/zinc/07/15/45/385071545.db2.gz TWAAIWXRGDHOLC-MELADBBJSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000340493573 385072594 /nfs/dbraw/zinc/07/25/94/385072594.db2.gz VQTKECOHDFYNRL-WCFLWFBJSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000310473599 385079075 /nfs/dbraw/zinc/07/90/75/385079075.db2.gz BGKRDPOBPOWCPF-ZDUSSCGKSA-N 3 1 241.423 1.968 20 0 BDADMP C[N@H+]1CC[C@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000647137714 385109283 /nfs/dbraw/zinc/10/92/83/385109283.db2.gz KFXHAYOIOHZFEM-VIFPVBQESA-N 2 1 236.319 1.217 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000129171287 385115793 /nfs/dbraw/zinc/11/57/93/385115793.db2.gz YZUGOYLEGWHHOY-LBPRGKRZSA-N 2 1 221.348 1.992 20 0 BDADMP COCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157240431 385119194 /nfs/dbraw/zinc/11/91/94/385119194.db2.gz PZYVIAVFXAQHBP-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000163495174 385199772 /nfs/dbraw/zinc/19/97/72/385199772.db2.gz QVGSNOOTPYDJEA-ZYHUDNBSSA-N 2 1 236.363 1.145 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000300990161 385221471 /nfs/dbraw/zinc/22/14/71/385221471.db2.gz LNAATQAWGVTGSO-SRVKXCTJSA-N 2 1 228.380 1.872 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000300990161 385221477 /nfs/dbraw/zinc/22/14/77/385221477.db2.gz LNAATQAWGVTGSO-SRVKXCTJSA-N 2 1 228.380 1.872 20 0 BDADMP CON1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000323070668 385242830 /nfs/dbraw/zinc/24/28/30/385242830.db2.gz PIOLQQCAYBKULI-AAEUAGOBSA-N 2 1 241.379 1.085 20 0 BDADMP CON1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000323070668 385242836 /nfs/dbraw/zinc/24/28/36/385242836.db2.gz PIOLQQCAYBKULI-AAEUAGOBSA-N 2 1 241.379 1.085 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154184832 385308239 /nfs/dbraw/zinc/30/82/39/385308239.db2.gz RNDUHYKHDZTRPV-NNYUYHANSA-N 2 1 246.420 1.171 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154184832 385308241 /nfs/dbraw/zinc/30/82/41/385308241.db2.gz RNDUHYKHDZTRPV-NNYUYHANSA-N 2 1 246.420 1.171 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044527705 385308454 /nfs/dbraw/zinc/30/84/54/385308454.db2.gz KWZASGVVVRQCET-NSHDSACASA-N 2 1 223.320 1.462 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044527705 385308457 /nfs/dbraw/zinc/30/84/57/385308457.db2.gz KWZASGVVVRQCET-NSHDSACASA-N 2 1 223.320 1.462 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000167308031 385309417 /nfs/dbraw/zinc/30/94/17/385309417.db2.gz GCDDMOIVLUJPSD-GHMZBOCLSA-N 2 1 225.336 1.452 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000308928405 385290216 /nfs/dbraw/zinc/29/02/16/385290216.db2.gz QQQVWVAZKKFFOE-QJPTWQEYSA-N 2 1 214.353 1.484 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228061623 385323629 /nfs/dbraw/zinc/32/36/29/385323629.db2.gz BRVDKLXWFRIASM-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP CC(C)OCC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316860597 385335533 /nfs/dbraw/zinc/33/55/33/385335533.db2.gz NOCCBFBNUJZNTE-AVGNSLFASA-N 2 1 228.380 1.859 20 0 BDADMP CC(C)OCC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316860597 385335538 /nfs/dbraw/zinc/33/55/38/385335538.db2.gz NOCCBFBNUJZNTE-AVGNSLFASA-N 2 1 228.380 1.859 20 0 BDADMP Cc1cccc(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000158170001 385357220 /nfs/dbraw/zinc/35/72/20/385357220.db2.gz SFUYQJSXIFXEMA-LBPRGKRZSA-N 2 1 223.320 1.115 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1(C)COC1 ZINC000309052296 385385354 /nfs/dbraw/zinc/38/53/54/385385354.db2.gz RNLZCBBZEXXVGD-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181438560 385407786 /nfs/dbraw/zinc/40/77/86/385407786.db2.gz WMPNLWIBTNYFOG-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[N@@H+]1C ZINC000309108397 385426233 /nfs/dbraw/zinc/42/62/33/385426233.db2.gz IUCPZGNHNJBQLG-WISYIIOYSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC[N@H+]1C ZINC000309108397 385426234 /nfs/dbraw/zinc/42/62/34/385426234.db2.gz IUCPZGNHNJBQLG-WISYIIOYSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000156258643 385444989 /nfs/dbraw/zinc/44/49/89/385444989.db2.gz YYFYXFAXAUQNSB-IJLUTSLNSA-N 2 1 213.369 1.009 20 0 BDADMP CSCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000179293807 385457427 /nfs/dbraw/zinc/45/74/27/385457427.db2.gz QPTUDYNVKMZIRS-UHFFFAOYSA-N 2 1 227.377 1.876 20 0 BDADMP CSCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000179293807 385457430 /nfs/dbraw/zinc/45/74/30/385457430.db2.gz QPTUDYNVKMZIRS-UHFFFAOYSA-N 2 1 227.377 1.876 20 0 BDADMP COC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000179502955 385470156 /nfs/dbraw/zinc/47/01/56/385470156.db2.gz GRYADXIJUFJVCX-NSHDSACASA-N 2 1 225.336 1.548 20 0 BDADMP COC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000179502955 385470159 /nfs/dbraw/zinc/47/01/59/385470159.db2.gz GRYADXIJUFJVCX-NSHDSACASA-N 2 1 225.336 1.548 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336302826 385478534 /nfs/dbraw/zinc/47/85/34/385478534.db2.gz DLCYLVHFGLYXLS-LLVKDONJSA-N 2 1 228.299 1.435 20 0 BDADMP CC[C@](C)(C[NH2+]CC1=CC[N@@H+](C)CC1)OC ZINC000319067313 385545385 /nfs/dbraw/zinc/54/53/85/385545385.db2.gz PZHMTAIUABXCHF-CYBMUJFWSA-N 2 1 226.364 1.653 20 0 BDADMP CC[NH+](CC)CCN1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000365008282 385563242 /nfs/dbraw/zinc/56/32/42/385563242.db2.gz KJZDYQLGXNEBFB-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309425125 385577693 /nfs/dbraw/zinc/57/76/93/385577693.db2.gz ANLWIQSFUGDOQY-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309425125 385577697 /nfs/dbraw/zinc/57/76/97/385577697.db2.gz ANLWIQSFUGDOQY-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC000336681968 385640017 /nfs/dbraw/zinc/64/00/17/385640017.db2.gz HYFSCKLIHKJPIC-WDEREUQCSA-N 2 1 202.317 1.795 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)C1CC1 ZINC000353108718 385641889 /nfs/dbraw/zinc/64/18/89/385641889.db2.gz IJQRNFCUODBGIL-CYBMUJFWSA-N 2 1 249.358 1.256 20 0 BDADMP C[C@@H]1[C@H](NC2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000309510029 385643974 /nfs/dbraw/zinc/64/39/74/385643974.db2.gz XBJNSABQBLBGPL-DGCLKSJQSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1[C@H](NC2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000309510029 385643977 /nfs/dbraw/zinc/64/39/77/385643977.db2.gz XBJNSABQBLBGPL-DGCLKSJQSA-N 2 1 225.380 1.153 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000309515615 385653639 /nfs/dbraw/zinc/65/36/39/385653639.db2.gz RHYYVECOYAILHN-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000309523027 385660705 /nfs/dbraw/zinc/66/07/05/385660705.db2.gz CICCMNNJHDITRL-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000309523027 385660712 /nfs/dbraw/zinc/66/07/12/385660712.db2.gz CICCMNNJHDITRL-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000336735651 385713890 /nfs/dbraw/zinc/71/38/90/385713890.db2.gz IHSDQXKKDGIGDW-NTZNESFSSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000336735651 385713893 /nfs/dbraw/zinc/71/38/93/385713893.db2.gz IHSDQXKKDGIGDW-NTZNESFSSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](CN[C@@H]1C[NH+](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000336735651 385713898 /nfs/dbraw/zinc/71/38/98/385713898.db2.gz IHSDQXKKDGIGDW-NTZNESFSSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](CN[C@@H]1C[NH+](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000336735651 385713901 /nfs/dbraw/zinc/71/39/01/385713901.db2.gz IHSDQXKKDGIGDW-NTZNESFSSA-N 2 1 225.380 1.009 20 0 BDADMP C[N@@H+](CCCCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000336691934 385728238 /nfs/dbraw/zinc/72/82/38/385728238.db2.gz KVPIGWSDNAXDBR-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP C[C@@H]([NH2+]CCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763907 385734759 /nfs/dbraw/zinc/73/47/59/385734759.db2.gz CEPUASABVJAJSO-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414859707 385736011 /nfs/dbraw/zinc/73/60/11/385736011.db2.gz NBLKCPZYKMJRCT-UHFFFAOYSA-N 2 1 248.374 1.381 20 0 BDADMP COc1cc(C)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000648385179 385744223 /nfs/dbraw/zinc/74/42/23/385744223.db2.gz GURSUOLQIJEZGV-KBPBESRZSA-N 2 1 246.354 1.655 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309665073 385776452 /nfs/dbraw/zinc/77/64/52/385776452.db2.gz SXJQCWPLRJPNCF-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCC2(CCC2)C1)C1CC1 ZINC000336705744 385787707 /nfs/dbraw/zinc/78/77/07/385787707.db2.gz LFNOZICKINWQFS-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CCC2)C1)C1CC1 ZINC000336705744 385787714 /nfs/dbraw/zinc/78/77/14/385787714.db2.gz LFNOZICKINWQFS-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC2(CCC2)C1)C1CC1 ZINC000336705744 385787716 /nfs/dbraw/zinc/78/77/16/385787716.db2.gz LFNOZICKINWQFS-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCC2(CCC2)C1)C1CC1 ZINC000336705744 385787720 /nfs/dbraw/zinc/78/77/20/385787720.db2.gz LFNOZICKINWQFS-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000336714520 385812693 /nfs/dbraw/zinc/81/26/93/385812693.db2.gz PCJAMCARSXPKSC-KBPBESRZSA-N 3 1 241.423 1.968 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414950533 385818684 /nfs/dbraw/zinc/81/86/84/385818684.db2.gz OVRPKHQRMPWNAO-RYUDHWBXSA-N 2 1 236.363 1.694 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414874293 385886650 /nfs/dbraw/zinc/88/66/50/385886650.db2.gz SECDKWKCFIWWHC-STQMWFEESA-N 2 1 228.380 1.779 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCOCC1 ZINC000336726277 385889808 /nfs/dbraw/zinc/88/98/08/385889808.db2.gz GEQVIXVPXUKTOD-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCOCC1 ZINC000336726277 385889810 /nfs/dbraw/zinc/88/98/10/385889810.db2.gz GEQVIXVPXUKTOD-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCC1CC[NH2+]CC1 ZINC000647847354 385896771 /nfs/dbraw/zinc/89/67/71/385896771.db2.gz LDIGTHYSCXSMAX-UHFFFAOYSA-N 3 1 213.369 1.047 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000414963471 385897385 /nfs/dbraw/zinc/89/73/85/385897385.db2.gz XNEXHEDZXKEIPV-SYQHCUMBSA-N 2 1 240.391 1.920 20 0 BDADMP CN(C)C(=O)c1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC000647848336 385899394 /nfs/dbraw/zinc/89/93/94/385899394.db2.gz MVOCAEBPMVEXQU-UHFFFAOYSA-N 2 1 249.358 1.169 20 0 BDADMP CN(C)C(=O)c1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000647848336 385899395 /nfs/dbraw/zinc/89/93/95/385899395.db2.gz MVOCAEBPMVEXQU-UHFFFAOYSA-N 2 1 249.358 1.169 20 0 BDADMP CC1(C)CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000647851823 385902808 /nfs/dbraw/zinc/90/28/08/385902808.db2.gz BWBIHSZAGQHOCE-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000647851823 385902809 /nfs/dbraw/zinc/90/28/09/385902809.db2.gz BWBIHSZAGQHOCE-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CCCn2ccnc2)C1 ZINC000285336898 385915574 /nfs/dbraw/zinc/91/55/74/385915574.db2.gz KFLCWFCGOVQKQD-TXEJJXNPSA-N 2 1 223.320 1.382 20 0 BDADMP CO[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1 ZINC000285472148 385929921 /nfs/dbraw/zinc/92/99/21/385929921.db2.gz VAJZKWXZWQLOGZ-TXEJJXNPSA-N 2 1 223.320 1.301 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1 ZINC000285472148 385929925 /nfs/dbraw/zinc/92/99/25/385929925.db2.gz VAJZKWXZWQLOGZ-TXEJJXNPSA-N 2 1 223.320 1.301 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000414877010 385917989 /nfs/dbraw/zinc/91/79/89/385917989.db2.gz MHYYKXITZFEZSY-NSHDSACASA-N 2 1 244.342 1.761 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035024 385923022 /nfs/dbraw/zinc/92/30/22/385923022.db2.gz RUKDZSVCYSNGJO-KGLIPLIRSA-N 2 1 232.327 1.686 20 0 BDADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000647815525 385869216 /nfs/dbraw/zinc/86/92/16/385869216.db2.gz XXMDDOGFONQHJA-GFCCVEGCSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+](C1CC1)C1CCNCC1)[C@H]1CC[NH2+]C1 ZINC000647815525 385869219 /nfs/dbraw/zinc/86/92/19/385869219.db2.gz XXMDDOGFONQHJA-GFCCVEGCSA-N 2 1 237.391 1.202 20 0 BDADMP C(C[N@@H+](C1CC1)C1CCNCC1)[C@H]1CC[NH2+]C1 ZINC000647815525 385869220 /nfs/dbraw/zinc/86/92/20/385869220.db2.gz XXMDDOGFONQHJA-GFCCVEGCSA-N 2 1 237.391 1.202 20 0 BDADMP COCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815197 385869308 /nfs/dbraw/zinc/86/93/08/385869308.db2.gz UBQPUHGJDGKJID-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCO1 ZINC000250840553 385928016 /nfs/dbraw/zinc/92/80/16/385928016.db2.gz LUNUTPOMGLQPCF-QWHCGFSZSA-N 2 1 226.364 1.759 20 0 BDADMP C[C@H]1CNCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647828428 385876453 /nfs/dbraw/zinc/87/64/53/385876453.db2.gz CMNLLGNUEBPPEO-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CNCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647828428 385876455 /nfs/dbraw/zinc/87/64/55/385876455.db2.gz CMNLLGNUEBPPEO-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000338355407 385977278 /nfs/dbraw/zinc/97/72/78/385977278.db2.gz JJHKGQBUTSPWPV-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414971934 385977351 /nfs/dbraw/zinc/97/73/51/385977351.db2.gz XBIOFYLLAAOJAC-NSHDSACASA-N 2 1 222.336 1.340 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCSCC1 ZINC000335019751 385979146 /nfs/dbraw/zinc/97/91/46/385979146.db2.gz SIDIJLZYFQIIDF-ZYHUDNBSSA-N 2 1 228.405 1.717 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000414140638 385990502 /nfs/dbraw/zinc/99/05/02/385990502.db2.gz IZVDAFGDQHNSTL-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000414140638 385990506 /nfs/dbraw/zinc/99/05/06/385990506.db2.gz IZVDAFGDQHNSTL-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC000342088600 385937129 /nfs/dbraw/zinc/93/71/29/385937129.db2.gz ADRCXNCNJJPVPY-HZSPNIEDSA-N 2 1 238.375 1.472 20 0 BDADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCC(O)CC1 ZINC000335047015 385941615 /nfs/dbraw/zinc/94/16/15/385941615.db2.gz SITYDUFPUONDKE-BPCQOVAHSA-N 2 1 240.391 1.658 20 0 BDADMP CC[NH+](CC)CCCN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000338287806 385942423 /nfs/dbraw/zinc/94/24/23/385942423.db2.gz WBNAFGNUDADJCC-UONOGXRCSA-N 2 1 241.423 1.743 20 0 BDADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)[C@H]1C[C@H]1C ZINC000414075139 385948409 /nfs/dbraw/zinc/94/84/09/385948409.db2.gz XKDHJOCPQRCINS-RDBSUJKOSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000304326602 385953278 /nfs/dbraw/zinc/95/32/78/385953278.db2.gz CXXKEOUASYVYRY-NEPJUHHUSA-N 2 1 222.336 1.003 20 0 BDADMP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647942757 385964648 /nfs/dbraw/zinc/96/46/48/385964648.db2.gz QZIZVLQUYSXKKQ-OAHLLOKOSA-N 3 1 247.386 1.447 20 0 BDADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647942757 385964657 /nfs/dbraw/zinc/96/46/57/385964657.db2.gz QZIZVLQUYSXKKQ-OAHLLOKOSA-N 3 1 247.386 1.447 20 0 BDADMP C[C@H]1CC([NH2+]C[C@H]2C[NH2+]CCN2C)C[C@H](C)C1 ZINC000414969337 385965074 /nfs/dbraw/zinc/96/50/74/385965074.db2.gz FBBKCMSKNQYSJO-YRGRVCCFSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012379 385967934 /nfs/dbraw/zinc/96/79/34/385967934.db2.gz YYEDQMGYMHXRBV-STQMWFEESA-N 3 1 239.407 1.578 20 0 BDADMP CO[C@H](C)C[N@@H+](CC(C)(C)[NH3+])C(C)C ZINC000336747264 385971722 /nfs/dbraw/zinc/97/17/22/385971722.db2.gz CFUFDNRDSQXPIU-SNVBAGLBSA-N 2 1 202.342 1.469 20 0 BDADMP CCOC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336770750 386007120 /nfs/dbraw/zinc/00/71/20/386007120.db2.gz VWMKRYRGQGHEGA-LLVKDONJSA-N 2 1 212.337 1.263 20 0 BDADMP C[NH+](C)[C@H](C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000336751886 386012521 /nfs/dbraw/zinc/01/25/21/386012521.db2.gz FRTALALBPZDMOE-CMPLNLGQSA-N 2 1 228.405 1.669 20 0 BDADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414883568 386026451 /nfs/dbraw/zinc/02/64/51/386026451.db2.gz NKVPDBYRICBXSL-IHRRRGAJSA-N 2 1 216.328 1.742 20 0 BDADMP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414883575 386028903 /nfs/dbraw/zinc/02/89/03/386028903.db2.gz NLTIAEXAZDQHQW-KBPBESRZSA-N 2 1 218.344 1.959 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000124397624 386030033 /nfs/dbraw/zinc/03/00/33/386030033.db2.gz ZBFVZVJAZOUTPA-SECBINFHSA-N 2 1 224.270 2.000 20 0 BDADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000425422304 386038997 /nfs/dbraw/zinc/03/89/97/386038997.db2.gz MTHMLXGWGSALBY-MRVWCRGKSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000425422304 386039001 /nfs/dbraw/zinc/03/90/01/386039001.db2.gz MTHMLXGWGSALBY-MRVWCRGKSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000425422304 386039005 /nfs/dbraw/zinc/03/90/05/386039005.db2.gz MTHMLXGWGSALBY-MRVWCRGKSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000425422304 386039008 /nfs/dbraw/zinc/03/90/08/386039008.db2.gz MTHMLXGWGSALBY-MRVWCRGKSA-N 2 1 240.391 1.826 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(Cc2c[nH]cn2)C[C@H]1C ZINC000334434039 386054770 /nfs/dbraw/zinc/05/47/70/386054770.db2.gz NGTODAYPTAZGNH-GHMZBOCLSA-N 2 1 222.336 1.324 20 0 BDADMP CC[N@@H+]1C[C@@H](C)N(Cc2cnc[nH]2)C[C@H]1C ZINC000334434039 386054776 /nfs/dbraw/zinc/05/47/76/386054776.db2.gz NGTODAYPTAZGNH-GHMZBOCLSA-N 2 1 222.336 1.324 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(Cc2cnc[nH]2)C[C@H]1C ZINC000334434039 386054784 /nfs/dbraw/zinc/05/47/84/386054784.db2.gz NGTODAYPTAZGNH-GHMZBOCLSA-N 2 1 222.336 1.324 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000414148303 385996330 /nfs/dbraw/zinc/99/63/30/385996330.db2.gz RWAXPOQXPYSROJ-MEBFFEOJSA-N 2 1 240.391 1.872 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)COC(C)C ZINC000336738632 386106714 /nfs/dbraw/zinc/10/67/14/386106714.db2.gz KLGHRJSFWCRZNU-NSHDSACASA-N 2 1 225.336 1.595 20 0 BDADMP CC[NH2+]CC1CC[NH+](CC2(CN)CC2)CC1 ZINC000414666763 386111591 /nfs/dbraw/zinc/11/15/91/386111591.db2.gz XICPOXAGBNVQOK-UHFFFAOYSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccncc1F ZINC000340508203 386058903 /nfs/dbraw/zinc/05/89/03/386058903.db2.gz YOYRPXIHIXVYRN-JTQLQIEISA-N 2 1 248.305 1.848 20 0 BDADMP C[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000334447619 386076402 /nfs/dbraw/zinc/07/64/02/386076402.db2.gz QIXZHEVYRMAMMC-NSHDSACASA-N 2 1 247.342 1.060 20 0 BDADMP C[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000334447619 386076404 /nfs/dbraw/zinc/07/64/04/386076404.db2.gz QIXZHEVYRMAMMC-NSHDSACASA-N 2 1 247.342 1.060 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655685 386081547 /nfs/dbraw/zinc/08/15/47/386081547.db2.gz DVAMRBDXQPUUGA-YVECIDJPSA-N 2 1 225.380 1.044 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000425449771 386083363 /nfs/dbraw/zinc/08/33/63/386083363.db2.gz TZWMMFVCSJFROB-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000425449771 386083371 /nfs/dbraw/zinc/08/33/71/386083371.db2.gz TZWMMFVCSJFROB-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000425449771 386083374 /nfs/dbraw/zinc/08/33/74/386083374.db2.gz TZWMMFVCSJFROB-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](C)O1 ZINC000414283786 386094650 /nfs/dbraw/zinc/09/46/50/386094650.db2.gz PPTLWAXPVGQFNC-RYMFRWLXSA-N 2 1 240.391 1.872 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1(CO)CC1 ZINC000190028386 386144598 /nfs/dbraw/zinc/14/45/98/386144598.db2.gz QAOBTHAPPRDLEH-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1(CO)CC1 ZINC000190028386 386144604 /nfs/dbraw/zinc/14/46/04/386144604.db2.gz QAOBTHAPPRDLEH-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1(CO)CC1 ZINC000190028386 386144608 /nfs/dbraw/zinc/14/46/08/386144608.db2.gz QAOBTHAPPRDLEH-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000414675703 386155279 /nfs/dbraw/zinc/15/52/79/386155279.db2.gz RGYUSMPTSWLZNS-MROQNXINSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CO)C2)CC[NH2+]1 ZINC000414677513 386156872 /nfs/dbraw/zinc/15/68/72/386156872.db2.gz WOFVIKMVOFRFBK-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000310195182 386160240 /nfs/dbraw/zinc/16/02/40/386160240.db2.gz ZJPBXMDUSUBINV-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000310195182 386160247 /nfs/dbraw/zinc/16/02/47/386160247.db2.gz ZJPBXMDUSUBINV-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP [NH3+]CCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000414684832 386171614 /nfs/dbraw/zinc/17/16/14/386171614.db2.gz WYCDVICPHVYAJQ-UHFFFAOYSA-N 2 1 246.354 1.930 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000310281962 386173400 /nfs/dbraw/zinc/17/34/00/386173400.db2.gz HPHCINAUPQVMLD-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3c[nH]nc32)CCC1 ZINC000414894508 386175487 /nfs/dbraw/zinc/17/54/87/386175487.db2.gz ZMXVGTJFSKCNBA-UHFFFAOYSA-N 2 1 230.315 1.534 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000353581732 386189256 /nfs/dbraw/zinc/18/92/56/386189256.db2.gz NMUTWKAARANRJZ-CYBMUJFWSA-N 2 1 243.395 1.350 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346086182 386140775 /nfs/dbraw/zinc/14/07/75/386140775.db2.gz IFMYMCVVWLVKAR-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346086182 386140782 /nfs/dbraw/zinc/14/07/82/386140782.db2.gz IFMYMCVVWLVKAR-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414699784 386205295 /nfs/dbraw/zinc/20/52/95/386205295.db2.gz FONVKUSYBKVNBU-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414699786 386205993 /nfs/dbraw/zinc/20/59/93/386205993.db2.gz FONVKUSYBKVNBU-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP [NH3+]CCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414704153 386214216 /nfs/dbraw/zinc/21/42/16/386214216.db2.gz JKJIFXOMVPDFIQ-OCCSQVGLSA-N 2 1 237.391 1.284 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000339023709 386215221 /nfs/dbraw/zinc/21/52/21/386215221.db2.gz NBZKRIRZXSALHM-AAEUAGOBSA-N 2 1 236.315 1.306 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000131767559 386221714 /nfs/dbraw/zinc/22/17/14/386221714.db2.gz UYKCOJDKZSGIMB-TZMCWYRMSA-N 2 1 248.370 1.907 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000131767962 386222833 /nfs/dbraw/zinc/22/28/33/386222833.db2.gz UYKCOJDKZSGIMB-OCCSQVGLSA-N 2 1 248.370 1.907 20 0 BDADMP CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000347031146 386224311 /nfs/dbraw/zinc/22/43/11/386224311.db2.gz YDRGSWFDVMILBX-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000347031146 386224319 /nfs/dbraw/zinc/22/43/19/386224319.db2.gz YDRGSWFDVMILBX-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)CCOC1CCC1 ZINC000347111166 386231879 /nfs/dbraw/zinc/23/18/79/386231879.db2.gz QDUUDJWIIZXEQD-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCOC1CCC1 ZINC000347111166 386231882 /nfs/dbraw/zinc/23/18/82/386231882.db2.gz QDUUDJWIIZXEQD-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP COc1cc(C)nc(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000414898872 386236551 /nfs/dbraw/zinc/23/65/51/386236551.db2.gz UFGCXBQTXKLYDJ-VIFPVBQESA-N 2 1 223.320 1.226 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCC[NH+]1CCCCCC1 ZINC000343195058 386238636 /nfs/dbraw/zinc/23/86/36/386238636.db2.gz ZSBMVUMVIULPOX-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC[NH+]1CCCCCC1 ZINC000343195058 386238640 /nfs/dbraw/zinc/23/86/40/386238640.db2.gz ZSBMVUMVIULPOX-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH2+]C)C2)CCO1 ZINC000347096329 386247408 /nfs/dbraw/zinc/24/74/08/386247408.db2.gz HTCHKTQXHWMFOQ-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH2+]C)C2)CCO1 ZINC000347096322 386247783 /nfs/dbraw/zinc/24/77/83/386247783.db2.gz HTCHKTQXHWMFOQ-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC000353512492 386251849 /nfs/dbraw/zinc/25/18/49/386251849.db2.gz CXBKVGMKIJWWJR-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N(C)C ZINC000353512492 386251856 /nfs/dbraw/zinc/25/18/56/386251856.db2.gz CXBKVGMKIJWWJR-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)N(C)C ZINC000353512492 386251859 /nfs/dbraw/zinc/25/18/59/386251859.db2.gz CXBKVGMKIJWWJR-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC000347190939 386254794 /nfs/dbraw/zinc/25/47/94/386254794.db2.gz FOZZZFAGUXRYDR-GFCCVEGCSA-N 2 1 249.358 1.488 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000347193896 386258647 /nfs/dbraw/zinc/25/86/47/386258647.db2.gz GKFMGRZSAJFGCL-LLVKDONJSA-N 2 1 248.326 1.586 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000347193896 386258649 /nfs/dbraw/zinc/25/86/49/386258649.db2.gz GKFMGRZSAJFGCL-LLVKDONJSA-N 2 1 248.326 1.586 20 0 BDADMP Oc1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647880402 386196622 /nfs/dbraw/zinc/19/66/22/386196622.db2.gz VOFHCLUESAQYIN-LLVKDONJSA-N 2 1 232.327 1.360 20 0 BDADMP Oc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647880402 386196625 /nfs/dbraw/zinc/19/66/25/386196625.db2.gz VOFHCLUESAQYIN-LLVKDONJSA-N 2 1 232.327 1.360 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1CCc1cncn1C ZINC000297879980 386283781 /nfs/dbraw/zinc/28/37/81/386283781.db2.gz QGWKLKSNHPRIDY-LBPRGKRZSA-N 2 1 239.388 1.790 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647885958 386291891 /nfs/dbraw/zinc/29/18/91/386291891.db2.gz VKNNCDMRGBXQDK-GFCCVEGCSA-N 2 1 228.380 1.469 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194379 386294919 /nfs/dbraw/zinc/29/49/19/386294919.db2.gz SYIBYBOFLPGDDE-PIGZVRMJSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339194379 386294921 /nfs/dbraw/zinc/29/49/21/386294921.db2.gz SYIBYBOFLPGDDE-PIGZVRMJSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339194379 386294924 /nfs/dbraw/zinc/29/49/24/386294924.db2.gz SYIBYBOFLPGDDE-PIGZVRMJSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000265022766 386296205 /nfs/dbraw/zinc/29/62/05/386296205.db2.gz STOSQHKYDZRGRS-ZDUSSCGKSA-N 2 1 233.359 1.508 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000265022766 386296213 /nfs/dbraw/zinc/29/62/13/386296213.db2.gz STOSQHKYDZRGRS-ZDUSSCGKSA-N 2 1 233.359 1.508 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cn[nH]c1 ZINC000289447572 386308420 /nfs/dbraw/zinc/30/84/20/386308420.db2.gz BHKMDOQJUZUGPV-UHFFFAOYSA-N 2 1 245.330 1.203 20 0 BDADMP Cc1cccc2ncc(C[N@@H+]3CC[C@H](C[NH3+])C3)n21 ZINC000335262369 386323675 /nfs/dbraw/zinc/32/36/75/386323675.db2.gz ITUXZIWRFTUXJR-GFCCVEGCSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1cccc2ncc(C[N@H+]3CC[C@H](C[NH3+])C3)n21 ZINC000335262369 386323678 /nfs/dbraw/zinc/32/36/78/386323678.db2.gz ITUXZIWRFTUXJR-GFCCVEGCSA-N 2 1 244.342 1.423 20 0 BDADMP CCCO[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884535 386267674 /nfs/dbraw/zinc/26/76/74/386267674.db2.gz BTAHZJXPLOCNPN-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000415003985 386270375 /nfs/dbraw/zinc/27/03/75/386270375.db2.gz GZNFSHXCVOVPAK-VXGBXAGGSA-N 2 1 248.374 1.507 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000414746596 386347760 /nfs/dbraw/zinc/34/77/60/386347760.db2.gz SLFKVKJNSBQEQR-SRVKXCTJSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000414746596 386347765 /nfs/dbraw/zinc/34/77/65/386347765.db2.gz SLFKVKJNSBQEQR-SRVKXCTJSA-N 2 1 214.353 1.063 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2cnns2)CC1 ZINC000336686956 386348611 /nfs/dbraw/zinc/34/86/11/386348611.db2.gz UUUHGAMAEAWCAM-UHFFFAOYSA-N 2 1 240.376 1.312 20 0 BDADMP CO[C@H]1CC[N@H+](CCCC(C)C)[C@@H](C[NH3+])C1 ZINC000165659267 386356317 /nfs/dbraw/zinc/35/63/17/386356317.db2.gz IBYFJYDFWCOTIU-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CO[C@H]1CC[N@@H+](CCCC(C)C)[C@@H](C[NH3+])C1 ZINC000165659267 386356322 /nfs/dbraw/zinc/35/63/22/386356322.db2.gz IBYFJYDFWCOTIU-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000414747814 386357168 /nfs/dbraw/zinc/35/71/68/386357168.db2.gz UXBGPWINTHLWGE-CYDGBPFRSA-N 2 1 226.364 1.063 20 0 BDADMP CC[C@]1(C)COCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414748607 386361650 /nfs/dbraw/zinc/36/16/50/386361650.db2.gz WWCPMOMKRHWRFU-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@]1(C)COCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414748610 386362952 /nfs/dbraw/zinc/36/29/52/386362952.db2.gz WWCPMOMKRHWRFU-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000336773913 386330149 /nfs/dbraw/zinc/33/01/49/386330149.db2.gz WLENNONAIDLJRE-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cc[nH]n2)CC[NH2+]1 ZINC000414740221 386330551 /nfs/dbraw/zinc/33/05/51/386330551.db2.gz KVCUMBPMKKRQIL-GHMZBOCLSA-N 2 1 222.336 1.230 20 0 BDADMP CO[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000336773914 386331268 /nfs/dbraw/zinc/33/12/68/386331268.db2.gz WLENNONAIDLJRE-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ccc(F)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000335275823 386335114 /nfs/dbraw/zinc/33/51/14/386335114.db2.gz DIZRDWSXDMSQCD-UHFFFAOYSA-N 2 1 222.307 1.976 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](CCO)C2CCC2)CC[NH2+]1 ZINC000414744093 386337791 /nfs/dbraw/zinc/33/77/91/386337791.db2.gz HUMQKHLKXXMORA-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1ccc2ncc(C[NH2+]C3CC[NH2+]CC3)n2c1 ZINC000335276601 386339362 /nfs/dbraw/zinc/33/93/62/386339362.db2.gz FVCSCZXSLHZMRO-UHFFFAOYSA-N 2 1 244.342 1.484 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCOC1 ZINC000336718825 386441409 /nfs/dbraw/zinc/44/14/09/386441409.db2.gz XIGIDLCRUHVMAK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000336718825 386441411 /nfs/dbraw/zinc/44/14/11/386441411.db2.gz XIGIDLCRUHVMAK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCOC1 ZINC000336718825 386441416 /nfs/dbraw/zinc/44/14/16/386441416.db2.gz XIGIDLCRUHVMAK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCOC1 ZINC000336716635 386448041 /nfs/dbraw/zinc/44/80/41/386448041.db2.gz VYFDCXGJIUMARD-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)C(C)C ZINC000336722071 386448373 /nfs/dbraw/zinc/44/83/73/386448373.db2.gz SSDHKOLYXRAYGA-GXTWGEPZSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)C(C)C ZINC000336722071 386448378 /nfs/dbraw/zinc/44/83/78/386448378.db2.gz SSDHKOLYXRAYGA-GXTWGEPZSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)C(C)C ZINC000336722071 386448381 /nfs/dbraw/zinc/44/83/81/386448381.db2.gz SSDHKOLYXRAYGA-GXTWGEPZSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)C(C)C ZINC000336722071 386448384 /nfs/dbraw/zinc/44/83/84/386448384.db2.gz SSDHKOLYXRAYGA-GXTWGEPZSA-N 2 1 242.407 1.808 20 0 BDADMP COc1ccccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291709340 386448487 /nfs/dbraw/zinc/44/84/87/386448487.db2.gz LFHSWWYFQJYBHT-GFCCVEGCSA-N 2 1 236.359 1.983 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336700356 386400335 /nfs/dbraw/zinc/40/03/35/386400335.db2.gz KTHQPJHZLJXTFS-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336700640 386402161 /nfs/dbraw/zinc/40/21/61/386402161.db2.gz KNJOMLOCDKGBTK-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647991144 386408995 /nfs/dbraw/zinc/40/89/95/386408995.db2.gz CFVMPPRQQIUDNI-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCOCC2(CCC2)C1 ZINC000647991174 386409300 /nfs/dbraw/zinc/40/93/00/386409300.db2.gz GEXDSRQYMGCDBV-LBPRGKRZSA-N 2 1 224.348 1.098 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093453275 386417384 /nfs/dbraw/zinc/41/73/84/386417384.db2.gz KPJMDHQQYRRBSQ-HZSPNIEDSA-N 2 1 248.374 1.430 20 0 BDADMP CC[N@H+](CCCO)CCCCn1cc[nH+]c1C ZINC000336709085 386418636 /nfs/dbraw/zinc/41/86/36/386418636.db2.gz PTENZRSELCOGFB-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP CC[N@@H+](CCCO)CCCCn1cc[nH+]c1C ZINC000336709085 386418641 /nfs/dbraw/zinc/41/86/41/386418641.db2.gz PTENZRSELCOGFB-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP CCCC[N@@H+](C)CC1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442664630 386420037 /nfs/dbraw/zinc/42/00/37/386420037.db2.gz MUIMLSHWNUMGIM-CYBMUJFWSA-N 2 1 241.423 1.778 20 0 BDADMP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442664630 386420042 /nfs/dbraw/zinc/42/00/42/386420042.db2.gz MUIMLSHWNUMGIM-CYBMUJFWSA-N 3 1 241.423 1.778 20 0 BDADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442664630 386420046 /nfs/dbraw/zinc/42/00/46/386420046.db2.gz MUIMLSHWNUMGIM-CYBMUJFWSA-N 3 1 241.423 1.778 20 0 BDADMP CCc1[nH+]ccn1[C@H]1CCCN(C[C@H](C)[NH3+])C1 ZINC000442663555 386420880 /nfs/dbraw/zinc/42/08/80/386420880.db2.gz SRDBAZJAWXDLAS-RYUDHWBXSA-N 2 1 236.363 1.430 20 0 BDADMP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)nc1 ZINC000414909672 386422720 /nfs/dbraw/zinc/42/27/20/386422720.db2.gz UCTOKTWMZQLMPC-GFCCVEGCSA-N 2 1 219.332 1.622 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353528146 386471194 /nfs/dbraw/zinc/47/11/94/386471194.db2.gz NKWPJCSRBQYUNP-XJFOESAGSA-N 2 1 240.391 1.610 20 0 BDADMP C([C@H]1CCCOC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414775050 386471799 /nfs/dbraw/zinc/47/17/99/386471799.db2.gz GBMCZXVDDHUPMH-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414775050 386471802 /nfs/dbraw/zinc/47/18/02/386471802.db2.gz GBMCZXVDDHUPMH-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775034 386473595 /nfs/dbraw/zinc/47/35/95/386473595.db2.gz GBARUHLFJMYRAF-CHWSQXEVSA-N 2 1 237.391 1.047 20 0 BDADMP NCC1(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775034 386473601 /nfs/dbraw/zinc/47/36/01/386473601.db2.gz GBARUHLFJMYRAF-CHWSQXEVSA-N 2 1 237.391 1.047 20 0 BDADMP NCC1(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000414775034 386473607 /nfs/dbraw/zinc/47/36/07/386473607.db2.gz GBARUHLFJMYRAF-CHWSQXEVSA-N 2 1 237.391 1.047 20 0 BDADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647934503 386476659 /nfs/dbraw/zinc/47/66/59/386476659.db2.gz HKURNNKAVCNNPO-KBPBESRZSA-N 3 1 239.407 1.435 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000519596369 386498532 /nfs/dbraw/zinc/49/85/32/386498532.db2.gz OTINJBCCHAZHRC-UPJWGTAASA-N 2 1 225.380 1.236 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000335439963 386500243 /nfs/dbraw/zinc/50/02/43/386500243.db2.gz ASVDOPRVLZPWQJ-ZDUSSCGKSA-N 2 1 248.374 1.341 20 0 BDADMP Fc1ccc(/C=C/C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415050090 386505228 /nfs/dbraw/zinc/50/52/28/386505228.db2.gz BANCNDOLJUZICB-UFECMOIJSA-N 2 1 232.302 1.646 20 0 BDADMP C[C@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415051623 386508267 /nfs/dbraw/zinc/50/82/67/386508267.db2.gz MHCCEMFSEUEZBO-CYUUQNCZSA-N 2 1 230.355 1.988 20 0 BDADMP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)COC1 ZINC000393975174 386513407 /nfs/dbraw/zinc/51/34/07/386513407.db2.gz UUFSJPGMLCTNLH-JHJVBQTASA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000335447698 386513670 /nfs/dbraw/zinc/51/36/70/386513670.db2.gz ICLNJCJHXRNESZ-GFCCVEGCSA-N 2 1 219.332 1.608 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000335447698 386513677 /nfs/dbraw/zinc/51/36/77/386513677.db2.gz ICLNJCJHXRNESZ-GFCCVEGCSA-N 2 1 219.332 1.608 20 0 BDADMP Cc1cn[nH]c1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335447245 386515181 /nfs/dbraw/zinc/51/51/81/386515181.db2.gz BDAFPVUIDLVZBS-FOSCPWQOSA-N 2 1 234.347 1.433 20 0 BDADMP Cc1ccncc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000135500317 386519641 /nfs/dbraw/zinc/51/96/41/386519641.db2.gz LEDYLPMGEMEOQK-CHWSQXEVSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000135501364 386520289 /nfs/dbraw/zinc/52/02/89/386520289.db2.gz PVUIGJPIPRAIQI-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000135501364 386520295 /nfs/dbraw/zinc/52/02/95/386520295.db2.gz PVUIGJPIPRAIQI-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000336725939 386461823 /nfs/dbraw/zinc/46/18/23/386461823.db2.gz RRRNVPLGXLRUAC-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000094918438 386463443 /nfs/dbraw/zinc/46/34/43/386463443.db2.gz YYEBZOCJHYUWSS-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP Cc1ccsc1CN[C@H](C[NH3+])C1CC1 ZINC000414798034 386581342 /nfs/dbraw/zinc/58/13/42/386581342.db2.gz IXVAINFBUWKULD-SNVBAGLBSA-N 2 1 210.346 1.883 20 0 BDADMP Cc1ccsc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414798034 386581347 /nfs/dbraw/zinc/58/13/47/386581347.db2.gz IXVAINFBUWKULD-SNVBAGLBSA-N 2 1 210.346 1.883 20 0 BDADMP Cn1cnc2cc(C[NH2+][C@@H](C[NH3+])C3CC3)ccc21 ZINC000414800775 386588478 /nfs/dbraw/zinc/58/84/78/386588478.db2.gz LJCBYNFVNZKAMA-ZDUSSCGKSA-N 2 1 244.342 1.400 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000519698020 386531937 /nfs/dbraw/zinc/53/19/37/386531937.db2.gz AHOUYIMUKVHDDQ-OLZOCXBDSA-N 2 1 225.380 1.188 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000647995422 386539022 /nfs/dbraw/zinc/53/90/22/386539022.db2.gz WJXHLFIMSYDQMT-ZIAGYGMSSA-N 2 1 239.407 1.626 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414789951 386541672 /nfs/dbraw/zinc/54/16/72/386541672.db2.gz GBWHHOCIXUGOTL-LBPRGKRZSA-N 2 1 232.331 1.636 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1 ZINC000414791372 386546113 /nfs/dbraw/zinc/54/61/13/386546113.db2.gz HURKTIGJIOOMTG-LBPRGKRZSA-N 2 1 210.296 1.899 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415067428 386547889 /nfs/dbraw/zinc/54/78/89/386547889.db2.gz PDZCJKQCGOREBP-PWSUYJOCSA-N 2 1 214.353 1.519 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415081625 386597476 /nfs/dbraw/zinc/59/74/76/386597476.db2.gz LDFBKTUHJQJEIS-GFCCVEGCSA-N 2 1 228.380 1.517 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000647997651 386619169 /nfs/dbraw/zinc/61/91/69/386619169.db2.gz WSRLXSJVTACOQJ-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000415110837 386620727 /nfs/dbraw/zinc/62/07/27/386620727.db2.gz SXPCFTFCQJBNTO-TZMCWYRMSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647906698 386638211 /nfs/dbraw/zinc/63/82/11/386638211.db2.gz MEWQTUUOAKIXCU-OCCSQVGLSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CCCC[NH+](C)C ZINC000336758831 386641241 /nfs/dbraw/zinc/64/12/41/386641241.db2.gz KATUICAONIQDQQ-UHFFFAOYSA-N 2 1 210.325 1.150 20 0 BDADMP CC(C)Oc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414925995 386653204 /nfs/dbraw/zinc/65/32/04/386653204.db2.gz ITLWWMBPHUTCQD-LLVKDONJSA-N 2 1 222.332 1.911 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000415081896 386599797 /nfs/dbraw/zinc/59/97/97/386599797.db2.gz CQFKAWTYMITUGG-UHFFFAOYSA-N 2 1 245.330 1.094 20 0 BDADMP Cc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000228722659 386604541 /nfs/dbraw/zinc/60/45/41/386604541.db2.gz UGJAGLAQHUBJKV-AWEZNQCLSA-N 2 1 236.359 1.397 20 0 BDADMP C[NH+](C)C[C@](C)(O)C[NH2+]C/C=C/c1ccccc1 ZINC000228725226 386605085 /nfs/dbraw/zinc/60/50/85/386605085.db2.gz PIFQQLJQHNJABH-JOZWUWCOSA-N 2 1 248.370 1.602 20 0 BDADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000415091635 386609939 /nfs/dbraw/zinc/60/99/39/386609939.db2.gz ZLROFLOTBGFPRI-ZIAGYGMSSA-N 2 1 233.359 1.773 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)n1 ZINC000414807130 386617643 /nfs/dbraw/zinc/61/76/43/386617643.db2.gz QWODWAPGKOOUKX-ZWNOBZJWSA-N 2 1 249.358 1.348 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cn1cccn1 ZINC000414807246 386618551 /nfs/dbraw/zinc/61/85/51/386618551.db2.gz CKDNNJVDXLCMQZ-NEPJUHHUSA-N 2 1 224.352 1.379 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)CCn1ccnc1 ZINC000337221066 386660804 /nfs/dbraw/zinc/66/08/04/386660804.db2.gz DQRQMDBTUNETIM-UHFFFAOYSA-N 2 1 236.363 1.301 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCn1ccnc1 ZINC000337221066 386660810 /nfs/dbraw/zinc/66/08/10/386660810.db2.gz DQRQMDBTUNETIM-UHFFFAOYSA-N 2 1 236.363 1.301 20 0 BDADMP CC[NH2+]CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414819737 386662630 /nfs/dbraw/zinc/66/26/30/386662630.db2.gz ATYKXWIHLAMAFR-UHFFFAOYSA-N 2 1 240.391 1.925 20 0 BDADMP CSC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337244642 386676696 /nfs/dbraw/zinc/67/66/96/386676696.db2.gz IFXRDBWTUVRAKD-LBPRGKRZSA-N 2 1 246.420 1.128 20 0 BDADMP CSC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337244642 386676702 /nfs/dbraw/zinc/67/67/02/386676702.db2.gz IFXRDBWTUVRAKD-LBPRGKRZSA-N 2 1 246.420 1.128 20 0 BDADMP C[C@H]1c2ccccc2CC[N@@H+]1CCOCC[NH3+] ZINC000357073509 386710707 /nfs/dbraw/zinc/71/07/07/386710707.db2.gz LWDHNKLEYVMJQP-LBPRGKRZSA-N 2 1 234.343 1.581 20 0 BDADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCC1 ZINC000325061430 386715279 /nfs/dbraw/zinc/71/52/79/386715279.db2.gz XIBFXUPVFWPLPG-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1OC ZINC000414832166 386716647 /nfs/dbraw/zinc/71/66/47/386716647.db2.gz FABLGOBTRJZVLZ-NSHDSACASA-N 2 1 222.332 1.640 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000311684422 386727592 /nfs/dbraw/zinc/72/75/92/386727592.db2.gz MVIGOKBJXIKAQK-SNVBAGLBSA-N 2 1 223.320 1.326 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000311684422 386727600 /nfs/dbraw/zinc/72/76/00/386727600.db2.gz MVIGOKBJXIKAQK-SNVBAGLBSA-N 2 1 223.320 1.326 20 0 BDADMP C[C@]1(C[N@@H+](CCCCO)C2CC2)CC[NH2+]C1 ZINC000340701609 386746815 /nfs/dbraw/zinc/74/68/15/386746815.db2.gz YQUDXOXKPIVDBI-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000269275769 386770138 /nfs/dbraw/zinc/77/01/38/386770138.db2.gz WRNZPQKMHQDLES-JTQLQIEISA-N 2 1 248.330 1.086 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000414839194 386741623 /nfs/dbraw/zinc/74/16/23/386741623.db2.gz LXXHDRHENUONLQ-LBPRGKRZSA-N 3 1 227.396 1.304 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414839277 386743170 /nfs/dbraw/zinc/74/31/70/386743170.db2.gz JGFAUXMZXBXPJB-UHFFFAOYSA-N 2 1 222.336 1.469 20 0 BDADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1(C)CC1)CCO2 ZINC000648071973 386786922 /nfs/dbraw/zinc/78/69/22/386786922.db2.gz DWSQQHAHVKLJJU-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC(C)[C@](C)(CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000336667548 386788481 /nfs/dbraw/zinc/78/84/81/386788481.db2.gz MGKHNVYJFNDRBA-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2(O)CCC2)CC[N@H+]1C ZINC000336744212 386804392 /nfs/dbraw/zinc/80/43/92/386804392.db2.gz PWHDNNYLCZOWDE-VXGBXAGGSA-N 2 1 226.364 1.364 20 0 BDADMP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC000051631150 386835492 /nfs/dbraw/zinc/83/54/92/386835492.db2.gz LMEAIWKHUDAIGU-LSDHHAIUSA-N 2 1 230.355 1.886 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395074148 386845072 /nfs/dbraw/zinc/84/50/72/386845072.db2.gz FOJQDXKBRMOKHM-QJPTWQEYSA-N 2 1 214.353 1.124 20 0 BDADMP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n[nH]1 ZINC000334785460 386845681 /nfs/dbraw/zinc/84/56/81/386845681.db2.gz QSVWHLWADXCZPN-CYBMUJFWSA-N 2 1 234.347 1.374 20 0 BDADMP Cn1cncc1CCN1CCOC2(CCCC2)C1 ZINC000334785806 386847743 /nfs/dbraw/zinc/84/77/43/386847743.db2.gz BJHHMKBWXACISC-UHFFFAOYSA-N 2 1 249.358 1.608 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000334833051 386870540 /nfs/dbraw/zinc/87/05/40/386870540.db2.gz MIAWHRAPTPDJAD-WTIISPKJSA-N 3 1 225.380 1.234 20 0 BDADMP Cc1cccc(C)c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000334833010 386870548 /nfs/dbraw/zinc/87/05/48/386870548.db2.gz KXYAWVLOSCFLNP-WDNDVIMCSA-N 2 1 216.328 1.611 20 0 BDADMP COC1CCC([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000334832659 386870792 /nfs/dbraw/zinc/87/07/92/386870792.db2.gz GXSLNISZNGJCHY-YWPUVAFDSA-N 2 1 226.364 1.674 20 0 BDADMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414939887 386874011 /nfs/dbraw/zinc/87/40/11/386874011.db2.gz BIIIRUBDYQDTIF-WDEREUQCSA-N 2 1 235.331 1.326 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCCC1(C)C ZINC000334837411 386878167 /nfs/dbraw/zinc/87/81/67/386878167.db2.gz LTASGZWTWDRXDO-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000335759063 386888260 /nfs/dbraw/zinc/88/82/60/386888260.db2.gz UOSNEHHBHCYMAP-DGCLKSJQSA-N 3 1 225.380 1.045 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000366732894 386913843 /nfs/dbraw/zinc/91/38/43/386913843.db2.gz YEZQBAXBZMSZBP-TUAOUCFPSA-N 2 1 237.347 1.459 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358227328 386915401 /nfs/dbraw/zinc/91/54/01/386915401.db2.gz DQYBAEXSVVCBNS-TZMCWYRMSA-N 2 1 234.343 1.404 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358227328 386915406 /nfs/dbraw/zinc/91/54/06/386915406.db2.gz DQYBAEXSVVCBNS-TZMCWYRMSA-N 2 1 234.343 1.404 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443080 386901478 /nfs/dbraw/zinc/90/14/78/386901478.db2.gz CQQAJEOZQBEDKU-GMXVVIOVSA-N 2 1 249.358 1.921 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443080 386901482 /nfs/dbraw/zinc/90/14/82/386901482.db2.gz CQQAJEOZQBEDKU-GMXVVIOVSA-N 2 1 249.358 1.921 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CSC2(C)C)CC[N@@H+]1C ZINC000336745203 386906498 /nfs/dbraw/zinc/90/64/98/386906498.db2.gz BBUXSSAPENWRQY-GMTAPVOTSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CSC2(C)C)CC[N@H+]1C ZINC000336745203 386906503 /nfs/dbraw/zinc/90/65/03/386906503.db2.gz BBUXSSAPENWRQY-GMTAPVOTSA-N 2 1 228.405 1.953 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358176600 386907811 /nfs/dbraw/zinc/90/78/11/386907811.db2.gz WVXBQSCGTQOGHT-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000358176600 386907815 /nfs/dbraw/zinc/90/78/15/386907815.db2.gz WVXBQSCGTQOGHT-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCOCC1 ZINC000334866066 386923523 /nfs/dbraw/zinc/92/35/23/386923523.db2.gz WAHIZNNOKXGSSS-CMPLNLGQSA-N 2 1 212.337 1.001 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000335774928 386924187 /nfs/dbraw/zinc/92/41/87/386924187.db2.gz YPDDULWIRHSRQU-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358263118 386924597 /nfs/dbraw/zinc/92/45/97/386924597.db2.gz XJFNSTGRNQORIU-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358263118 386924600 /nfs/dbraw/zinc/92/46/00/386924600.db2.gz XJFNSTGRNQORIU-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000161708872 386928161 /nfs/dbraw/zinc/92/81/61/386928161.db2.gz JVPXDOPBNYMPKD-AAEUAGOBSA-N 2 1 219.332 1.293 20 0 BDADMP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000334873134 386934825 /nfs/dbraw/zinc/93/48/25/386934825.db2.gz HIOFYIXMNPSIGO-CHWSQXEVSA-N 3 1 225.380 1.108 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417886015 386935921 /nfs/dbraw/zinc/93/59/21/386935921.db2.gz VKNLISGVEGAXJN-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCCC[C@H]1N ZINC000331985777 386936146 /nfs/dbraw/zinc/93/61/46/386936146.db2.gz NAZUEPXCLLUQCB-IJLUTSLNSA-N 2 1 213.369 1.363 20 0 BDADMP CCC(CC)[C@@H](C[NH2+][C@H](C)CC(N)=O)[NH+](C)C ZINC000341898542 386995345 /nfs/dbraw/zinc/99/53/45/386995345.db2.gz MDGPVKQQDKQPQV-ZYHUDNBSSA-N 2 1 243.395 1.206 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228075949 387066302 /nfs/dbraw/zinc/06/63/02/387066302.db2.gz PMZFIGPENONZJM-DUBDDPSESA-N 2 1 234.343 1.880 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074516 387043988 /nfs/dbraw/zinc/04/39/88/387043988.db2.gz DIWMYSJGLMMPMZ-SKDRFNHKSA-N 2 1 237.347 1.851 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074516 387043992 /nfs/dbraw/zinc/04/39/92/387043992.db2.gz DIWMYSJGLMMPMZ-SKDRFNHKSA-N 2 1 237.347 1.851 20 0 BDADMP CCn1cncc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000334964754 387045179 /nfs/dbraw/zinc/04/51/79/387045179.db2.gz CPPZVFZHQRNOCD-OCCSQVGLSA-N 2 1 249.358 1.904 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000359034002 387046553 /nfs/dbraw/zinc/04/65/53/387046553.db2.gz HQXKSUSEKWSSAB-BFHYXJOUSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000336764469 387048060 /nfs/dbraw/zinc/04/80/60/387048060.db2.gz QAKLUXQLXGHQIE-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000228038483 387062236 /nfs/dbraw/zinc/06/22/36/387062236.db2.gz HWPDECDKAHVVJU-QNWHQSFQSA-N 2 1 228.380 1.466 20 0 BDADMP CO[C@@H](C)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000514610832 387013771 /nfs/dbraw/zinc/01/37/71/387013771.db2.gz AMWKUOQDOWHQBL-NSHDSACASA-N 2 1 225.336 1.319 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000514610832 387013776 /nfs/dbraw/zinc/01/37/76/387013776.db2.gz AMWKUOQDOWHQBL-NSHDSACASA-N 2 1 225.336 1.319 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])c2nccn21 ZINC000333319272 387026615 /nfs/dbraw/zinc/02/66/15/387026615.db2.gz UDIRNZUTEINCEH-KXNHARMFSA-N 2 1 234.347 1.606 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)C[C@@H]12 ZINC000359223263 387069662 /nfs/dbraw/zinc/06/96/62/387069662.db2.gz QYZVIOFNJCBZQR-BFHYXJOUSA-N 3 1 237.391 1.045 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]12 ZINC000333882698 387071387 /nfs/dbraw/zinc/07/13/87/387071387.db2.gz DYALCNSXNXYFPM-DVVUODLYSA-N 2 1 243.314 1.131 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000228155262 387078093 /nfs/dbraw/zinc/07/80/93/387078093.db2.gz UKUNSEXTDMTCDE-IHRRRGAJSA-N 2 1 238.375 1.628 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000228155262 387078095 /nfs/dbraw/zinc/07/80/95/387078095.db2.gz UKUNSEXTDMTCDE-IHRRRGAJSA-N 2 1 238.375 1.628 20 0 BDADMP FC(F)COCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000188769529 387079896 /nfs/dbraw/zinc/07/98/96/387079896.db2.gz ZKVVTZIVFIKGFA-MNOVXSKESA-N 2 1 248.317 1.485 20 0 BDADMP C[N@@H+](CCNC1CC[NH2+]CC1)C1CCCC1 ZINC000070945357 387086209 /nfs/dbraw/zinc/08/62/09/387086209.db2.gz WDTWBNJYYSGBSZ-UHFFFAOYSA-N 2 1 225.380 1.202 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000335025736 387116475 /nfs/dbraw/zinc/11/64/75/387116475.db2.gz KPTLVZLKDWKOAQ-VXGBXAGGSA-N 2 1 205.305 1.359 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000423305750 387141851 /nfs/dbraw/zinc/14/18/51/387141851.db2.gz CQKRKZXSHIRPAO-STQMWFEESA-N 2 1 240.391 1.923 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423309374 387145682 /nfs/dbraw/zinc/14/56/82/387145682.db2.gz ZIIUOURQTVRHHI-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP CCC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423309899 387146259 /nfs/dbraw/zinc/14/62/59/387146259.db2.gz MLFLUWWGCFCKIY-FRRDWIJNSA-N 2 1 227.396 1.304 20 0 BDADMP CC[N@H+](CCC(=O)OC)CC[C@@H]1CCC[NH+]1C ZINC000120091614 387157005 /nfs/dbraw/zinc/15/70/05/387157005.db2.gz KQJAHPWWPDMDFN-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CCC(=O)OC)CC[C@@H]1CCC[N@@H+]1C ZINC000120091614 387157008 /nfs/dbraw/zinc/15/70/08/387157008.db2.gz KQJAHPWWPDMDFN-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CCC(=O)OC)CC[C@@H]1CCC[N@H+]1C ZINC000120091614 387157014 /nfs/dbraw/zinc/15/70/14/387157014.db2.gz KQJAHPWWPDMDFN-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH3+])[C@H]2CCC[C@H]21 ZINC000423316628 387157300 /nfs/dbraw/zinc/15/73/00/387157300.db2.gz BXSRDDYIGZNZHL-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP CN1CC[C@H]([NH2+]CCCC[NH3+])[C@H]2CCC[C@H]21 ZINC000423316628 387157303 /nfs/dbraw/zinc/15/73/03/387157303.db2.gz BXSRDDYIGZNZHL-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H](C)C[NH3+] ZINC000423320483 387161602 /nfs/dbraw/zinc/16/16/02/387161602.db2.gz GQJAVDVKHNEHAQ-OUAUKWLOSA-N 2 1 214.353 1.517 20 0 BDADMP CC(C)CO[C@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423320427 387162254 /nfs/dbraw/zinc/16/22/54/387162254.db2.gz GKGVJPKEKJRYKH-WOPDTQHZSA-N 2 1 228.380 1.763 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423323583 387166944 /nfs/dbraw/zinc/16/69/44/387166944.db2.gz JUEMYVUTQZZUES-UTLUCORTSA-N 2 1 200.326 1.127 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C12CCCC2 ZINC000423327532 387170229 /nfs/dbraw/zinc/17/02/29/387170229.db2.gz NJLTZGNLRMHOSQ-UTUOFQBUSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cn[nH]c1 ZINC000423327612 387170935 /nfs/dbraw/zinc/17/09/35/387170935.db2.gz DCIIIEYCXLWOSV-CMPLNLGQSA-N 2 1 222.336 1.450 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000571790790 387171315 /nfs/dbraw/zinc/17/13/15/387171315.db2.gz AFLYRCADHBTTCL-ZSVAQUKISA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+](CCCO)C1CC[NH+](C2CCCC2)CC1 ZINC000120098533 387174497 /nfs/dbraw/zinc/17/44/97/387174497.db2.gz KTTJVQZTDGWGNU-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423331170 387174908 /nfs/dbraw/zinc/17/49/08/387174908.db2.gz PTFGYLMGVHHGOD-MFKMUULPSA-N 2 1 219.332 1.860 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@@H+]1C ZINC000120181152 387178473 /nfs/dbraw/zinc/17/84/73/387178473.db2.gz IFSAETZKOXPFIQ-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC[N@H+]1C ZINC000120181152 387178480 /nfs/dbraw/zinc/17/84/80/387178480.db2.gz IFSAETZKOXPFIQ-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@@H+](CCO)CCCc1ccc(C)nc1 ZINC000353365208 387189391 /nfs/dbraw/zinc/18/93/91/387189391.db2.gz UOVMISMHBVFPMI-UHFFFAOYSA-N 2 1 222.332 1.637 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccn(C)n1 ZINC000423304087 387137267 /nfs/dbraw/zinc/13/72/67/387137267.db2.gz JUFDMKIJVKXRDI-NXEZZACHSA-N 2 1 210.325 1.056 20 0 BDADMP COc1cc([C@H](C)[NH2+]CC2C[NH2+]C2)ccc1F ZINC000423304494 387138952 /nfs/dbraw/zinc/13/89/52/387138952.db2.gz ODPZDRUQLPQJNS-VIFPVBQESA-N 2 1 238.306 1.704 20 0 BDADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423304639 387139477 /nfs/dbraw/zinc/13/94/77/387139477.db2.gz OLWZHGBSBZKLHI-NSHDSACASA-N 2 1 234.343 1.874 20 0 BDADMP C[N@H+](Cc1cccc2c1NCC2)C1CC[NH2+]CC1 ZINC000336312329 387140536 /nfs/dbraw/zinc/14/05/36/387140536.db2.gz SHYAFFLOTWJCJM-UHFFFAOYSA-N 2 1 245.370 1.838 20 0 BDADMP C[N@@H+](Cc1cccc2c1NCC2)C1CC[NH2+]CC1 ZINC000336312329 387140545 /nfs/dbraw/zinc/14/05/45/387140545.db2.gz SHYAFFLOTWJCJM-UHFFFAOYSA-N 2 1 245.370 1.838 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000423355039 387205643 /nfs/dbraw/zinc/20/56/43/387205643.db2.gz DTYZFRJCJLXCDZ-UTUOFQBUSA-N 2 1 214.353 1.245 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C(C)C ZINC000571940477 387206739 /nfs/dbraw/zinc/20/67/39/387206739.db2.gz WVQGUTAIROIDDX-NEPJUHHUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C(C)C ZINC000571940477 387206744 /nfs/dbraw/zinc/20/67/44/387206744.db2.gz WVQGUTAIROIDDX-NEPJUHHUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1C(C)C ZINC000571940477 387206747 /nfs/dbraw/zinc/20/67/47/387206747.db2.gz WVQGUTAIROIDDX-NEPJUHHUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1C(C)C ZINC000571940477 387206751 /nfs/dbraw/zinc/20/67/51/387206751.db2.gz WVQGUTAIROIDDX-NEPJUHHUSA-N 2 1 214.353 1.029 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300413152 387207444 /nfs/dbraw/zinc/20/74/44/387207444.db2.gz YVUYXBOQAJEYMW-RQJABVFESA-N 2 1 242.407 1.856 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336379559 387209631 /nfs/dbraw/zinc/20/96/31/387209631.db2.gz ULASZLQHLOSEJB-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336379559 387209638 /nfs/dbraw/zinc/20/96/38/387209638.db2.gz ULASZLQHLOSEJB-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336379559 387209644 /nfs/dbraw/zinc/20/96/44/387209644.db2.gz ULASZLQHLOSEJB-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP Cn1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000300416711 387210613 /nfs/dbraw/zinc/21/06/13/387210613.db2.gz VLVZQTSHFOAMGE-KBPBESRZSA-N 2 1 248.374 1.179 20 0 BDADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423360995 387213518 /nfs/dbraw/zinc/21/35/18/387213518.db2.gz GKGVJPKEKJRYKH-QJPTWQEYSA-N 2 1 228.380 1.763 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423364921 387216588 /nfs/dbraw/zinc/21/65/88/387216588.db2.gz KDURKZSJVJKYHS-UMSGYPCISA-N 2 1 226.364 1.519 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353504588 387218969 /nfs/dbraw/zinc/21/89/69/387218969.db2.gz SBONQPMAPHVPOE-MQYQWHSLSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@H]1CCCOC1 ZINC000423365180 387219381 /nfs/dbraw/zinc/21/93/81/387219381.db2.gz PIDKNLGRHFSXKI-VOAKCMCISA-N 2 1 226.364 1.389 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353528746 387223150 /nfs/dbraw/zinc/22/31/50/387223150.db2.gz HPJSAZKHDRNHMW-RQJABVFESA-N 2 1 240.391 1.610 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000353554832 387228150 /nfs/dbraw/zinc/22/81/50/387228150.db2.gz MCCKCZDVYXNJMQ-GFCCVEGCSA-N 2 1 236.363 1.410 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000353554832 387228152 /nfs/dbraw/zinc/22/81/52/387228152.db2.gz MCCKCZDVYXNJMQ-GFCCVEGCSA-N 2 1 236.363 1.410 20 0 BDADMP CCOCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230025318 387228827 /nfs/dbraw/zinc/22/88/27/387228827.db2.gz UCLRSZADVCUIED-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423326120 387230107 /nfs/dbraw/zinc/23/01/07/387230107.db2.gz MEYLSLJUEXQJBB-DDHJBXDOSA-N 2 1 224.348 1.271 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cnn(C)c1 ZINC000423405590 387239672 /nfs/dbraw/zinc/23/96/72/387239672.db2.gz ZUVKOLCESQWBNC-UHTWSYAYSA-N 2 1 236.363 1.601 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@](C)([NH3+])CCC ZINC000353646842 387248964 /nfs/dbraw/zinc/24/89/64/387248964.db2.gz ZPXJOVFETNMQRC-CYBMUJFWSA-N 2 1 243.395 1.352 20 0 BDADMP COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000423425848 387251984 /nfs/dbraw/zinc/25/19/84/387251984.db2.gz HJCRHHZGPXDASK-BSLXNSKLSA-N 2 1 246.354 1.872 20 0 BDADMP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCCN1 ZINC000423465979 387312290 /nfs/dbraw/zinc/31/22/90/387312290.db2.gz AGTITRPOTRULHB-MJBXVCDLSA-N 2 1 239.407 1.639 20 0 BDADMP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCCCN1 ZINC000423465973 387313540 /nfs/dbraw/zinc/31/35/40/387313540.db2.gz AGTITRPOTRULHB-BFHYXJOUSA-N 2 1 239.407 1.639 20 0 BDADMP C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423429027 387254256 /nfs/dbraw/zinc/25/42/56/387254256.db2.gz JVRVXTYQRSEFEN-VZZFWQQMSA-N 2 1 237.391 1.105 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423381196 387262962 /nfs/dbraw/zinc/26/29/62/387262962.db2.gz HUWISPHXPYPVFV-IJLUTSLNSA-N 2 1 228.380 1.778 20 0 BDADMP COCC1CCC([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423380245 387263484 /nfs/dbraw/zinc/26/34/84/387263484.db2.gz NLZXMYLYHCQJFW-GFJIZPEISA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000423382813 387264274 /nfs/dbraw/zinc/26/42/74/387264274.db2.gz PDTOFDBIQURVPR-ZDEQEGDKSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000423385052 387267897 /nfs/dbraw/zinc/26/78/97/387267897.db2.gz LKKFGXNNRWZSMM-VOAKCMCISA-N 2 1 237.391 1.471 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000423385052 387267902 /nfs/dbraw/zinc/26/79/02/387267902.db2.gz LKKFGXNNRWZSMM-VOAKCMCISA-N 2 1 237.391 1.471 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000352504966 387268844 /nfs/dbraw/zinc/26/88/44/387268844.db2.gz WPNJFHDMDUBDMD-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000352504966 387268848 /nfs/dbraw/zinc/26/88/48/387268848.db2.gz WPNJFHDMDUBDMD-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000643498365 387277008 /nfs/dbraw/zinc/27/70/08/387277008.db2.gz IEZKDRKHPOMZLV-QMMMGPOBSA-N 2 1 213.350 1.712 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000372176542 387280855 /nfs/dbraw/zinc/28/08/55/387280855.db2.gz UVINCMWODKHAMP-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000372176542 387280858 /nfs/dbraw/zinc/28/08/58/387280858.db2.gz UVINCMWODKHAMP-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423439504 387291099 /nfs/dbraw/zinc/29/10/99/387291099.db2.gz SIDBZMTWRKLGBN-OLRMPSLUSA-N 2 1 232.327 1.564 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000336541441 387364295 /nfs/dbraw/zinc/36/42/95/387364295.db2.gz HCMLPOLJESQZFG-YPMHNXCESA-N 2 1 245.370 1.824 20 0 BDADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502642 387366990 /nfs/dbraw/zinc/36/69/90/387366990.db2.gz MFOXJNBYEUJQBO-BFHYXJOUSA-N 2 1 240.391 1.923 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303621884 387384418 /nfs/dbraw/zinc/38/44/18/387384418.db2.gz ZEUZOZPJNUQAPM-CYBMUJFWSA-N 2 1 226.364 1.489 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000515384204 387374017 /nfs/dbraw/zinc/37/40/17/387374017.db2.gz DHFQLKQCEMYUOP-KKOKHZNYSA-N 2 1 214.328 1.855 20 0 BDADMP C[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462905 387321502 /nfs/dbraw/zinc/32/15/02/387321502.db2.gz YFGKGOTXMRPPDA-BNOWGMLFSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462672 387327651 /nfs/dbraw/zinc/32/76/51/387327651.db2.gz CRQYTDWASGZAAP-BFHYXJOUSA-N 2 1 237.391 1.188 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000643462672 387327657 /nfs/dbraw/zinc/32/76/57/387327657.db2.gz CRQYTDWASGZAAP-BFHYXJOUSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@H]1C ZINC000423482761 387329457 /nfs/dbraw/zinc/32/94/57/387329457.db2.gz QYMNPKHECVGNOT-DBIOUOCHSA-N 2 1 232.318 1.865 20 0 BDADMP C[C@@H](NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423487934 387333157 /nfs/dbraw/zinc/33/31/57/387333157.db2.gz UVVBHIVKOAHVTH-UPJWGTAASA-N 2 1 225.380 1.249 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423501189 387339855 /nfs/dbraw/zinc/33/98/55/387339855.db2.gz AYZMSWIPAUKMOR-REWJHTLYSA-N 2 1 239.407 1.243 20 0 BDADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423498740 387340005 /nfs/dbraw/zinc/34/00/05/387340005.db2.gz BYAOFMLVPVPVJY-NWDGAFQWSA-N 2 1 227.396 1.304 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423501187 387340281 /nfs/dbraw/zinc/34/02/81/387340281.db2.gz AYZMSWIPAUKMOR-AAVRWANBSA-N 2 1 239.407 1.243 20 0 BDADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423505046 387343330 /nfs/dbraw/zinc/34/33/30/387343330.db2.gz GJQZBDXALXHRMQ-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)[C@H]1CC1(C)C ZINC000423516154 387350408 /nfs/dbraw/zinc/35/04/08/387350408.db2.gz NMQQOBFFKCSQJD-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423520217 387352474 /nfs/dbraw/zinc/35/24/74/387352474.db2.gz PXJFIFUROMQAEG-IHRRRGAJSA-N 2 1 241.423 1.694 20 0 BDADMP CC[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519406 387352493 /nfs/dbraw/zinc/35/24/93/387352493.db2.gz PSSLPRLZSYGBOG-HSBZDZAISA-N 2 1 239.407 1.591 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000423518395 387353177 /nfs/dbraw/zinc/35/31/77/387353177.db2.gz ONFWARTVMLTENA-MCIONIFRSA-N 2 1 237.391 1.058 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])CCC ZINC000423779588 387423934 /nfs/dbraw/zinc/42/39/34/387423934.db2.gz VMOGWENROUFHHN-RYUDHWBXSA-N 2 1 243.395 1.350 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643504554 387428687 /nfs/dbraw/zinc/42/86/87/387428687.db2.gz HSCDHVUCRMLLPO-AWEZNQCLSA-N 2 1 218.344 1.743 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423857583 387437610 /nfs/dbraw/zinc/43/76/10/387437610.db2.gz ZWLZFFAXNKTMQO-CYBMUJFWSA-N 2 1 241.379 1.057 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CC1 ZINC000374423761 387452942 /nfs/dbraw/zinc/45/29/42/387452942.db2.gz XOHXCENTOHZEIR-MCIONIFRSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CC1 ZINC000374423760 387452958 /nfs/dbraw/zinc/45/29/58/387452958.db2.gz XOHXCENTOHZEIR-HZSPNIEDSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCF ZINC000374419695 387453008 /nfs/dbraw/zinc/45/30/08/387453008.db2.gz IWTPLPHUARFGJK-AGIUHOORSA-N 2 1 244.354 1.530 20 0 BDADMP CC1(C)[C@H]([NH2+]CC[NH2+]C2CC2)[C@@H]2CCCO[C@@H]21 ZINC000643506806 387461107 /nfs/dbraw/zinc/46/11/07/387461107.db2.gz JHDJWWRTWPLLBQ-XQQFMLRXSA-N 2 1 238.375 1.532 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000423777457 387422391 /nfs/dbraw/zinc/42/23/91/387422391.db2.gz RJZYONYBBGUMRA-RYUDHWBXSA-N 2 1 243.395 1.206 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000361804916 387537668 /nfs/dbraw/zinc/53/76/68/387537668.db2.gz PLKFJIIBWCYJEB-RWMBFGLXSA-N 2 1 242.407 1.977 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000516173684 387478054 /nfs/dbraw/zinc/47/80/54/387478054.db2.gz ZEVZHRBUNXLVMN-NSHDSACASA-N 2 1 224.352 1.459 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643507649 387478995 /nfs/dbraw/zinc/47/89/95/387478995.db2.gz LOKOKGHYACVENW-RYUDHWBXSA-N 2 1 212.337 1.286 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)CCO1 ZINC000643507900 387480517 /nfs/dbraw/zinc/48/05/17/387480517.db2.gz VQZGENCRNKKTKA-OLZOCXBDSA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000643508341 387488455 /nfs/dbraw/zinc/48/84/55/387488455.db2.gz PDMRCIIKTVYGID-KGLIPLIRSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000643508341 387488458 /nfs/dbraw/zinc/48/84/58/387488458.db2.gz PDMRCIIKTVYGID-KGLIPLIRSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000643508341 387488462 /nfs/dbraw/zinc/48/84/62/387488462.db2.gz PDMRCIIKTVYGID-KGLIPLIRSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[C@H](N)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643511628 387593438 /nfs/dbraw/zinc/59/34/38/387593438.db2.gz PLOALQUSLJYSNK-DGCLKSJQSA-N 2 1 227.396 1.290 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000643512633 387596746 /nfs/dbraw/zinc/59/67/46/387596746.db2.gz MFTOPCKZKCNWQY-GXFFZTMASA-N 2 1 222.332 1.928 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561075 387601760 /nfs/dbraw/zinc/60/17/60/387601760.db2.gz IVZHOGMHWBPNQJ-QNWJLWSRSA-N 2 1 210.365 1.948 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422695586 387612186 /nfs/dbraw/zinc/61/21/86/387612186.db2.gz QAVVDMFQRATZKP-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422690353 387612481 /nfs/dbraw/zinc/61/24/81/387612481.db2.gz GDOGFQGZYDRVGU-MJBXVCDLSA-N 3 1 239.407 1.306 20 0 BDADMP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422690353 387612482 /nfs/dbraw/zinc/61/24/82/387612482.db2.gz GDOGFQGZYDRVGU-MJBXVCDLSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422690353 387612483 /nfs/dbraw/zinc/61/24/83/387612483.db2.gz GDOGFQGZYDRVGU-MJBXVCDLSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000305593631 387615191 /nfs/dbraw/zinc/61/51/91/387615191.db2.gz YKKCCIYITUUASC-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn2ccsc2n1 ZINC000422705333 387620284 /nfs/dbraw/zinc/62/02/84/387620284.db2.gz RGEAKOOZXMATCT-BDAKNGLRSA-N 2 1 238.360 1.611 20 0 BDADMP C[C@@H]([NH2+]CC1CCC1)c1c[nH+]ccc1N ZINC000422707972 387621869 /nfs/dbraw/zinc/62/18/69/387621869.db2.gz BCOJZKGHDNPGNE-SECBINFHSA-N 2 1 205.305 1.945 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000422712534 387625068 /nfs/dbraw/zinc/62/50/68/387625068.db2.gz GUWJDJADSQPWPV-VXGBXAGGSA-N 3 1 239.407 1.576 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000426356530 387558092 /nfs/dbraw/zinc/55/80/92/387558092.db2.gz KXMVTLKCJHWJOW-LBPRGKRZSA-N 2 1 228.380 1.543 20 0 BDADMP C[C@@H]([NH2+]CCC[NH3+])c1nc2ccccc2n1C ZINC000037713353 387565425 /nfs/dbraw/zinc/56/54/25/387565425.db2.gz FJTKZIHUMPERQO-SNVBAGLBSA-N 2 1 232.331 1.573 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000037607207 387565808 /nfs/dbraw/zinc/56/58/08/387565808.db2.gz KRBIYCWSKXRIRN-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422719142 387630206 /nfs/dbraw/zinc/63/02/06/387630206.db2.gz XQFSFSNLCNHAHU-CYDGBPFRSA-N 2 1 228.380 1.514 20 0 BDADMP CCCCNC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430579912 387631834 /nfs/dbraw/zinc/63/18/34/387631834.db2.gz GUUPOIWNIJDZHX-CYBMUJFWSA-N 2 1 243.395 1.256 20 0 BDADMP COc1ccc(CC[NH2+][C@@](C)(C[NH3+])C2CC2)cc1 ZINC000430603634 387633278 /nfs/dbraw/zinc/63/32/78/387633278.db2.gz YWTBYKMQLCEPIP-HNNXBMFYSA-N 2 1 248.370 1.955 20 0 BDADMP C[C@@H](NCC[N@@H+](C)C1CCCC1)C1C[NH2+]C1 ZINC000422739401 387644947 /nfs/dbraw/zinc/64/49/47/387644947.db2.gz LCRYDFZWOOFTIO-LLVKDONJSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](NCC[N@@H+](C)C1CCCC1)C1C[NH2+]C1 ZINC000422739402 387645884 /nfs/dbraw/zinc/64/58/84/387645884.db2.gz LCRYDFZWOOFTIO-NSHDSACASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422738947 387646539 /nfs/dbraw/zinc/64/65/39/387646539.db2.gz KNGAQGYZGMZZHQ-OCCSQVGLSA-N 3 1 239.407 1.306 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125159234 387646734 /nfs/dbraw/zinc/64/67/34/387646734.db2.gz GCZIDCWGIBDUCF-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]([NH3+])CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000430775665 387649106 /nfs/dbraw/zinc/64/91/06/387649106.db2.gz HLWKVSJORBCAGC-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747623 387651327 /nfs/dbraw/zinc/65/13/27/387651327.db2.gz ZCLSCNWPQDGYND-QEJZJMRPSA-N 2 1 248.370 1.320 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422750591 387655258 /nfs/dbraw/zinc/65/52/58/387655258.db2.gz DIWHNVIBZCRFSC-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP CSC[C@@H](C)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422753539 387658617 /nfs/dbraw/zinc/65/86/17/387658617.db2.gz INSFMZJTAASBHR-BDAKNGLRSA-N 2 1 225.361 1.896 20 0 BDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCC[NH3+] ZINC000422753276 387659168 /nfs/dbraw/zinc/65/91/68/387659168.db2.gz FZQJTFRXWMFCNN-HZSPNIEDSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCC[NH3+] ZINC000422753276 387659169 /nfs/dbraw/zinc/65/91/69/387659169.db2.gz FZQJTFRXWMFCNN-HZSPNIEDSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@H+](C)Cc1ccccc1 ZINC000422756563 387660752 /nfs/dbraw/zinc/66/07/52/387660752.db2.gz JASJJMUORMQZBC-ZIAGYGMSSA-N 2 1 249.402 1.834 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@@H+](C)Cc1ccccc1 ZINC000422756563 387660755 /nfs/dbraw/zinc/66/07/55/387660755.db2.gz JASJJMUORMQZBC-ZIAGYGMSSA-N 2 1 249.402 1.834 20 0 BDADMP CC(C)COCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422794556 387695834 /nfs/dbraw/zinc/69/58/34/387695834.db2.gz ZAGZBUAGEQAHRZ-STQMWFEESA-N 2 1 228.380 1.637 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)ccn1 ZINC000527709184 387667896 /nfs/dbraw/zinc/66/78/96/387667896.db2.gz DQEFVKSNLSLNST-GFCCVEGCSA-N 2 1 242.326 1.760 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400757581 387667949 /nfs/dbraw/zinc/66/79/49/387667949.db2.gz XLQNYODLPBOUSB-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP CN(C)c1cc(NC(=O)C2([NH3+])CCCC2)cc[nH+]1 ZINC000431010522 387670232 /nfs/dbraw/zinc/67/02/32/387670232.db2.gz PVHXXMFAECZTBP-UHFFFAOYSA-N 2 1 248.330 1.358 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422774426 387671867 /nfs/dbraw/zinc/67/18/67/387671867.db2.gz WZFWKUGDTYCBDS-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000422794608 387695970 /nfs/dbraw/zinc/69/59/70/387695970.db2.gz ZELZGUFADJCKOS-UONOGXRCSA-N 2 1 239.407 1.578 20 0 BDADMP CSCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362925753 387674656 /nfs/dbraw/zinc/67/46/56/387674656.db2.gz LXDWCRLSNGSDNW-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362925753 387674661 /nfs/dbraw/zinc/67/46/61/387674661.db2.gz LXDWCRLSNGSDNW-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362925753 387674668 /nfs/dbraw/zinc/67/46/68/387674668.db2.gz LXDWCRLSNGSDNW-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000422777018 387674951 /nfs/dbraw/zinc/67/49/51/387674951.db2.gz BQDBKECDYCIIHR-RISCZKNCSA-N 2 1 236.334 1.956 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422776814 387676037 /nfs/dbraw/zinc/67/60/37/387676037.db2.gz DNSJMXKAYJZDHF-HBNTYKKESA-N 3 1 201.358 1.042 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000422780171 387678389 /nfs/dbraw/zinc/67/83/89/387678389.db2.gz GZSSBELRURBWOP-UONOGXRCSA-N 3 1 239.407 1.450 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422780562 387678493 /nfs/dbraw/zinc/67/84/93/387678493.db2.gz KIZAVDJXCZAMKT-RFGFWPKPSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(C)c1 ZINC000044498871 387682240 /nfs/dbraw/zinc/68/22/40/387682240.db2.gz ZFJQGQFWLIBPAU-RYUDHWBXSA-N 2 1 248.374 1.555 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])CC[N@H+]1C ZINC000422784076 387682597 /nfs/dbraw/zinc/68/25/97/387682597.db2.gz PFYHGSQHOQRGNX-SYQHCUMBSA-N 2 1 239.407 1.719 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCC2 ZINC000422790751 387694145 /nfs/dbraw/zinc/69/41/45/387694145.db2.gz XUVFNLYPMKQYQT-GRYCIOLGSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861060 387743316 /nfs/dbraw/zinc/74/33/16/387743316.db2.gz IWPSFOKHDXQSHP-MNXVOIDGSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862093 387743447 /nfs/dbraw/zinc/74/34/47/387743447.db2.gz NJVMRFHSXYPWOY-MELADBBJSA-N 2 1 239.407 1.591 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422861527 387745437 /nfs/dbraw/zinc/74/54/37/387745437.db2.gz OIYBONWSBPBFDO-IACUBPJLSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@H](CN[C@H](C)C1C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000422869794 387750140 /nfs/dbraw/zinc/75/01/40/387750140.db2.gz YATXJORIZGMFBL-JHJVBQTASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000422869139 387750966 /nfs/dbraw/zinc/75/09/66/387750966.db2.gz WSSWSBMJSHDIRY-HZSPNIEDSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000422869139 387750970 /nfs/dbraw/zinc/75/09/70/387750970.db2.gz WSSWSBMJSHDIRY-HZSPNIEDSA-N 3 1 241.423 1.966 20 0 BDADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1OC ZINC000643525712 387751430 /nfs/dbraw/zinc/75/14/30/387751430.db2.gz CIYWAOZYKDSZIL-UWVGGRQHSA-N 2 1 238.331 1.702 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000422873143 387752201 /nfs/dbraw/zinc/75/22/01/387752201.db2.gz KFPWOXUBBHAWJX-DYEKYZERSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422873143 387752205 /nfs/dbraw/zinc/75/22/05/387752205.db2.gz KFPWOXUBBHAWJX-DYEKYZERSA-N 2 1 237.391 1.201 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C(C)C ZINC000422801019 387703316 /nfs/dbraw/zinc/70/33/16/387703316.db2.gz AVBZARMWDRHDOS-ZWNOBZJWSA-N 2 1 237.347 1.816 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](OC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422811098 387709446 /nfs/dbraw/zinc/70/94/46/387709446.db2.gz TZTQFLZQUACENO-AGIUHOORSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000643520998 387709632 /nfs/dbraw/zinc/70/96/32/387709632.db2.gz WZJFPQVFGLMQFH-DYEKYZERSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@H]([NH2+]CCN(C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422812421 387712331 /nfs/dbraw/zinc/71/23/31/387712331.db2.gz QHVCLRQGIHDYDP-DZGCQCFKSA-N 2 1 247.386 1.853 20 0 BDADMP CC[N@@H+](CCN[C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422876680 387755500 /nfs/dbraw/zinc/75/55/00/387755500.db2.gz GHPJUCKDWKNYKV-OLZOCXBDSA-N 2 1 227.396 1.447 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422876214 387755523 /nfs/dbraw/zinc/75/55/23/387755523.db2.gz FHHXSCIQAKZTKP-OLZOCXBDSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000422839180 387728537 /nfs/dbraw/zinc/72/85/37/387728537.db2.gz PTZGXFFVCPSOSJ-DRZSPHRISA-N 3 1 225.380 1.057 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422842469 387731644 /nfs/dbraw/zinc/73/16/44/387731644.db2.gz YGOXZWOPANSOAA-ZDEQEGDKSA-N 3 1 227.396 1.575 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422842467 387731974 /nfs/dbraw/zinc/73/19/74/387731974.db2.gz YGOXZWOPANSOAA-RVMXOQNASA-N 3 1 227.396 1.575 20 0 BDADMP COCCOCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422845981 387734732 /nfs/dbraw/zinc/73/47/32/387734732.db2.gz DKLDAGDEGFRGEE-OLZOCXBDSA-N 2 1 244.379 1.017 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000422851724 387739038 /nfs/dbraw/zinc/73/90/38/387739038.db2.gz FVBVFBWYTGCGIB-JHJVBQTASA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000422851724 387739042 /nfs/dbraw/zinc/73/90/42/387739042.db2.gz FVBVFBWYTGCGIB-JHJVBQTASA-N 2 1 237.391 1.343 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000356880417 387739664 /nfs/dbraw/zinc/73/96/64/387739664.db2.gz UJVRPRFQKKKRES-HZSPNIEDSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000422858613 387741537 /nfs/dbraw/zinc/74/15/37/387741537.db2.gz GPZVDXRVTLXRIV-SYCZCVCYSA-N 2 1 249.402 1.484 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422858819 387742343 /nfs/dbraw/zinc/74/23/43/387742343.db2.gz IVPYSICRBCGFGS-STQMWFEESA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422858819 387742349 /nfs/dbraw/zinc/74/23/49/387742349.db2.gz IVPYSICRBCGFGS-STQMWFEESA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000643527929 387762467 /nfs/dbraw/zinc/76/24/67/387762467.db2.gz VRVRVUVNEUDXDE-ZWNOBZJWSA-N 2 1 219.332 1.860 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422890350 387762572 /nfs/dbraw/zinc/76/25/72/387762572.db2.gz IGIQFQFIWZSUEE-TUAOUCFPSA-N 2 1 214.353 1.268 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422909694 387769564 /nfs/dbraw/zinc/76/95/64/387769564.db2.gz OSZGGGJHECWEGY-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP c1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000422914441 387771714 /nfs/dbraw/zinc/77/17/14/387771714.db2.gz UFVKZKMLLHZIRB-GJZGRUSLSA-N 2 1 230.355 1.959 20 0 BDADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643528827 387773212 /nfs/dbraw/zinc/77/32/12/387773212.db2.gz PRMPHFBKTINGBO-IONNQARKSA-N 2 1 225.361 1.766 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000643529439 387776713 /nfs/dbraw/zinc/77/67/13/387776713.db2.gz ZZJAGMXFMQILTN-GHMZBOCLSA-N 2 1 245.330 1.265 20 0 BDADMP CS[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422935576 387782544 /nfs/dbraw/zinc/78/25/44/387782544.db2.gz KZXBFHIIYSRAGN-GARJFASQSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@H]([NH2+]C1(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422934505 387782898 /nfs/dbraw/zinc/78/28/98/387782898.db2.gz JOYBKDOGIXPJDP-NSHDSACASA-N 2 1 216.328 1.873 20 0 BDADMP CC[C@H]([NH2+]CCC(=O)NC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422936075 387783036 /nfs/dbraw/zinc/78/30/36/387783036.db2.gz HYHISRINZPGOEV-RYUDHWBXSA-N 2 1 241.379 1.021 20 0 BDADMP C[NH2+]CCCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000309504690 387813107 /nfs/dbraw/zinc/81/31/07/387813107.db2.gz MRQAWOLMBZKYJE-MNOVXSKESA-N 2 1 221.348 1.863 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422993098 387799304 /nfs/dbraw/zinc/79/93/04/387799304.db2.gz SIMBTVVBGMRRGL-NWDGAFQWSA-N 2 1 226.364 1.127 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422990969 387799887 /nfs/dbraw/zinc/79/98/87/387799887.db2.gz OVOHPDPJBYVIAW-NDBYEHHHSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422990969 387799891 /nfs/dbraw/zinc/79/98/91/387799891.db2.gz OVOHPDPJBYVIAW-NDBYEHHHSA-N 2 1 225.380 1.044 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422995856 387802659 /nfs/dbraw/zinc/80/26/59/387802659.db2.gz ZNWGEOGSZCKEME-BXKDBHETSA-N 2 1 223.320 1.162 20 0 BDADMP C[C@@H]([NH2+]CCCc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000423001479 387805237 /nfs/dbraw/zinc/80/52/37/387805237.db2.gz XICAHHJOCSMZKY-OCCSQVGLSA-N 2 1 233.359 1.744 20 0 BDADMP CC[C@@H](NCCC[N@@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422962916 387813366 /nfs/dbraw/zinc/81/33/66/387813366.db2.gz HAARPNZDXXMPLE-KGLIPLIRSA-N 2 1 241.423 1.837 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])on1 ZINC000643457211 387808470 /nfs/dbraw/zinc/80/84/70/387808470.db2.gz DYXQKZSCUZIVRO-GWCFXTLKSA-N 2 1 237.347 1.844 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000643526692 387757607 /nfs/dbraw/zinc/75/76/07/387757607.db2.gz DUSLRZRTLHSAQX-BXKDBHETSA-N 2 1 220.316 1.706 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000422880748 387758057 /nfs/dbraw/zinc/75/80/57/387758057.db2.gz MPRPYXMGHDRKQI-CYDGBPFRSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880920 387758228 /nfs/dbraw/zinc/75/82/28/387758228.db2.gz XUEMCGTWQYRBRU-XWUBHJNHSA-N 2 1 237.391 1.199 20 0 BDADMP COCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000422889243 387761105 /nfs/dbraw/zinc/76/11/05/387761105.db2.gz PDIAXSJZLLOEOP-CHWSQXEVSA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422888323 387761377 /nfs/dbraw/zinc/76/13/77/387761377.db2.gz MRAHAVHSCPRMSY-MELADBBJSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422888323 387761381 /nfs/dbraw/zinc/76/13/81/387761381.db2.gz MRAHAVHSCPRMSY-MELADBBJSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000422973050 387821913 /nfs/dbraw/zinc/82/19/13/387821913.db2.gz BBPUTMNRIOAEBB-RAIGVLPGSA-N 2 1 226.364 1.268 20 0 BDADMP C[NH+]1CCC(CC[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000135732867 387823068 /nfs/dbraw/zinc/82/30/68/387823068.db2.gz QFUNHNMKBSVMNS-UHFFFAOYSA-N 3 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)CC1 ZINC000432795368 387823147 /nfs/dbraw/zinc/82/31/47/387823147.db2.gz WLPRXZIGDZLZMW-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCOC3)CC[NH2+]2)cc1 ZINC000423003225 387827234 /nfs/dbraw/zinc/82/72/34/387827234.db2.gz LCIOSKFRADALRD-ZNMIVQPWSA-N 2 1 246.354 1.858 20 0 BDADMP C[N@@H+](CCOCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760133 387834146 /nfs/dbraw/zinc/83/41/46/387834146.db2.gz FYRJQGCHLOTWDT-PBWFPOADSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCN(C)c1ccccc1 ZINC000442765893 387834276 /nfs/dbraw/zinc/83/42/76/387834276.db2.gz KATQLMUJOFGHAI-KGLIPLIRSA-N 2 1 247.386 1.792 20 0 BDADMP CCc1noc(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442752680 387835098 /nfs/dbraw/zinc/83/50/98/387835098.db2.gz FGTAVSBSJXBWSL-ONGXEEELSA-N 2 1 237.347 1.715 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423017281 387840398 /nfs/dbraw/zinc/84/03/98/387840398.db2.gz OHJAWXZHSLSSGH-AGIUHOORSA-N 2 1 240.391 1.371 20 0 BDADMP CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423016349 387841648 /nfs/dbraw/zinc/84/16/48/387841648.db2.gz MHYCRCKLMKWQAJ-YNEHKIRRSA-N 2 1 240.391 1.514 20 0 BDADMP Cc1cnccc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423016833 387841973 /nfs/dbraw/zinc/84/19/73/387841973.db2.gz URAXSKQYQCLDKO-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)c1nccs1)[C@H]1CCC[NH2+]1 ZINC000423031752 387845750 /nfs/dbraw/zinc/84/57/50/387845750.db2.gz DJSBVVVSPLCRML-HBNTYKKESA-N 2 1 239.388 1.977 20 0 BDADMP CC1=CC[N@H+](CCN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423039146 387852779 /nfs/dbraw/zinc/85/27/79/387852779.db2.gz PXZPMTDXTHEKLU-QWHCGFSZSA-N 2 1 223.364 1.108 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423039146 387852782 /nfs/dbraw/zinc/85/27/82/387852782.db2.gz PXZPMTDXTHEKLU-QWHCGFSZSA-N 2 1 223.364 1.108 20 0 BDADMP CC1=CC[N@H+](CCN[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423038785 387852857 /nfs/dbraw/zinc/85/28/57/387852857.db2.gz PBBBXXDNXYUSAK-UONOGXRCSA-N 2 1 237.391 1.355 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423038785 387852861 /nfs/dbraw/zinc/85/28/61/387852861.db2.gz PBBBXXDNXYUSAK-UONOGXRCSA-N 2 1 237.391 1.355 20 0 BDADMP CC1=CC[N@H+](CCN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423039275 387854067 /nfs/dbraw/zinc/85/40/67/387854067.db2.gz QAKLMLZJFXKBAP-QWHCGFSZSA-N 2 1 225.380 1.354 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423039275 387854069 /nfs/dbraw/zinc/85/40/69/387854069.db2.gz QAKLMLZJFXKBAP-QWHCGFSZSA-N 2 1 225.380 1.354 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CNCC[C@H]1C)C(F)(F)F ZINC000423048691 387858260 /nfs/dbraw/zinc/85/82/60/387858260.db2.gz IIZBDAWAZCHCFL-VGMNWLOBSA-N 2 1 224.270 1.772 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H](CCO)c1ccco1 ZINC000423051806 387860726 /nfs/dbraw/zinc/86/07/26/387860726.db2.gz PELCAMDGPNCKRH-QJPTWQEYSA-N 2 1 238.331 1.420 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000423059445 387865920 /nfs/dbraw/zinc/86/59/20/387865920.db2.gz LROBXBFALURHHI-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000643535852 387866450 /nfs/dbraw/zinc/86/64/50/387866450.db2.gz JWDGDHCQNIULNB-RWMBFGLXSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCCN1 ZINC000643535852 387866455 /nfs/dbraw/zinc/86/64/55/387866455.db2.gz JWDGDHCQNIULNB-RWMBFGLXSA-N 2 1 237.391 1.249 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423067982 387869355 /nfs/dbraw/zinc/86/93/55/387869355.db2.gz JAQXDGCLSJHCBE-NEPJUHHUSA-N 2 1 228.380 1.658 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000422963411 387813883 /nfs/dbraw/zinc/81/38/83/387813883.db2.gz IMUQONFCXVOKCM-OLZOCXBDSA-N 3 1 227.396 1.578 20 0 BDADMP CCOc1ncccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422966672 387816290 /nfs/dbraw/zinc/81/62/90/387816290.db2.gz RRAIWFVECDYXPV-GHMZBOCLSA-N 2 1 237.347 1.696 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000442661369 387816534 /nfs/dbraw/zinc/81/65/34/387816534.db2.gz NIHLNRKFCZKJRV-AAEUAGOBSA-N 2 1 226.364 1.757 20 0 BDADMP Cc1cccc(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000423111145 387892739 /nfs/dbraw/zinc/89/27/39/387892739.db2.gz VYNFRKJXMIYVER-WFASDCNBSA-N 2 1 247.386 1.910 20 0 BDADMP C[C@@H]([NH2+]CCCOC(F)F)c1c[nH+]ccc1N ZINC000423108786 387893557 /nfs/dbraw/zinc/89/35/57/387893557.db2.gz GKPBKUGXDMNPKW-MRVPVSSYSA-N 2 1 245.273 1.774 20 0 BDADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000423115402 387895291 /nfs/dbraw/zinc/89/52/91/387895291.db2.gz NFURSSCDWSGQBT-YVECIDJPSA-N 2 1 226.364 1.532 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423085867 387880147 /nfs/dbraw/zinc/88/01/47/387880147.db2.gz LRQXJGFSGHBOSB-AVGNSLFASA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423085867 387880154 /nfs/dbraw/zinc/88/01/54/387880154.db2.gz LRQXJGFSGHBOSB-AVGNSLFASA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1nccn1C)C1CC1 ZINC000423100092 387886770 /nfs/dbraw/zinc/88/67/70/387886770.db2.gz GEPSDQJROJIKMW-UMNHJUIQSA-N 2 1 236.363 1.587 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](CC)OC)[C@@H]1CCC[NH2+]1 ZINC000423141628 387919095 /nfs/dbraw/zinc/91/90/95/387919095.db2.gz QZPVLNAPSKRJNP-TUAOUCFPSA-N 2 1 214.353 1.532 20 0 BDADMP COCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423116276 387899458 /nfs/dbraw/zinc/89/94/58/387899458.db2.gz PDEMUCTZDQAMAN-NEPJUHHUSA-N 2 1 226.364 1.391 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423119458 387900332 /nfs/dbraw/zinc/90/03/32/387900332.db2.gz CKLIUTQPKVLITO-SDDRHHMPSA-N 2 1 215.385 1.431 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423119460 387900497 /nfs/dbraw/zinc/90/04/97/387900497.db2.gz CKLIUTQPKVLITO-TUAOUCFPSA-N 2 1 215.385 1.431 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ncccc1N(C)C ZINC000423118977 387900908 /nfs/dbraw/zinc/90/09/08/387900908.db2.gz AWBKSUNQJXEAPJ-GHMZBOCLSA-N 2 1 236.363 1.363 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ncccc1N(C)C ZINC000423118979 387901708 /nfs/dbraw/zinc/90/17/08/387901708.db2.gz AWBKSUNQJXEAPJ-QWRGUYRKSA-N 2 1 236.363 1.363 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000423127843 387904197 /nfs/dbraw/zinc/90/41/97/387904197.db2.gz PQNASZRLMJPQHD-WOPDTQHZSA-N 2 1 228.405 1.717 20 0 BDADMP N[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130985 387907068 /nfs/dbraw/zinc/90/70/68/387907068.db2.gz HIZQBVKTZJGBOT-KBPBESRZSA-N 2 1 239.407 1.722 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423135208 387912722 /nfs/dbraw/zinc/91/27/22/387912722.db2.gz FNNZXLABHVHHKD-MELADBBJSA-N 2 1 241.423 1.694 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000423137317 387914106 /nfs/dbraw/zinc/91/41/06/387914106.db2.gz QTXXFCOYTVBETF-UHTWSYAYSA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000423136312 387914189 /nfs/dbraw/zinc/91/41/89/387914189.db2.gz PBIOGBVDYRKAOA-RNCFNFMXSA-N 2 1 235.331 1.570 20 0 BDADMP CC(C)OC(=O)[C@@H]([NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000423153304 387931877 /nfs/dbraw/zinc/93/18/77/387931877.db2.gz NBLOBOZTOQGQBO-NEPJUHHUSA-N 2 1 244.379 1.680 20 0 BDADMP Cc1ncsc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423156688 387936855 /nfs/dbraw/zinc/93/68/55/387936855.db2.gz TVLKZGQLAZWQKP-KOLCDFICSA-N 2 1 239.388 1.582 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423163835 387923741 /nfs/dbraw/zinc/92/37/41/387923741.db2.gz NPAMZXZWMOLLCO-OCCSQVGLSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)OC ZINC000423147738 387925351 /nfs/dbraw/zinc/92/53/51/387925351.db2.gz SRGDTSCRKPRZOZ-GHMZBOCLSA-N 2 1 237.347 1.960 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2cncn2c1 ZINC000423167895 387953342 /nfs/dbraw/zinc/95/33/42/387953342.db2.gz FZOKAXLTRYAAGE-GHMZBOCLSA-N 2 1 232.331 1.550 20 0 BDADMP C[C@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000392322588 387954544 /nfs/dbraw/zinc/95/45/44/387954544.db2.gz VYAZSJHQDCRTKM-KBPBESRZSA-N 2 1 237.391 1.369 20 0 BDADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)C1(O)CCCC1 ZINC000423158217 387939651 /nfs/dbraw/zinc/93/96/51/387939651.db2.gz CKIZAQMXUWNKRK-NSHDSACASA-N 2 1 226.364 1.269 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245449877 387949807 /nfs/dbraw/zinc/94/98/07/387949807.db2.gz OCPOSKNVEZFTKM-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000423165914 387950479 /nfs/dbraw/zinc/95/04/79/387950479.db2.gz BSWXXPONSHVZBD-MROQNXINSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170887 387957963 /nfs/dbraw/zinc/95/79/63/387957963.db2.gz NAEWIVHUIZEIFZ-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170887 387957964 /nfs/dbraw/zinc/95/79/64/387957964.db2.gz NAEWIVHUIZEIFZ-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170887 387957971 /nfs/dbraw/zinc/95/79/71/387957971.db2.gz NAEWIVHUIZEIFZ-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423172768 387959665 /nfs/dbraw/zinc/95/96/65/387959665.db2.gz VDZRTHZIZMNYNQ-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000424301142 387962085 /nfs/dbraw/zinc/96/20/85/387962085.db2.gz XERDBSJLKUVRJJ-CHWSQXEVSA-N 2 1 225.380 1.236 20 0 BDADMP [NH3+]CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423176706 387962807 /nfs/dbraw/zinc/96/28/07/387962807.db2.gz CSEZNQFYQKFYDZ-CYBMUJFWSA-N 2 1 204.317 1.556 20 0 BDADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[NH3+])C1 ZINC000423177070 387964506 /nfs/dbraw/zinc/96/45/06/387964506.db2.gz DQPRBBSKIOOOBV-STQMWFEESA-N 2 1 233.359 1.965 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481076 387970182 /nfs/dbraw/zinc/97/01/82/387970182.db2.gz MFCZPCIRNAYPCS-QWRGUYRKSA-N 2 1 246.358 1.789 20 0 BDADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[NH3+])c(C)c1 ZINC000423184116 387970509 /nfs/dbraw/zinc/97/05/09/387970509.db2.gz MWMMRNAKKMWBTC-LBPRGKRZSA-N 2 1 249.358 1.569 20 0 BDADMP C[C@@H]1[C@H]([NH2+]CC[NH3+])C[C@H]1c1ccccc1 ZINC000423192053 387978495 /nfs/dbraw/zinc/97/84/95/387978495.db2.gz VFGUMCRBKHZFRK-CYZMBNFOSA-N 2 1 204.317 1.727 20 0 BDADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[NH3+] ZINC000423194678 387979543 /nfs/dbraw/zinc/97/95/43/387979543.db2.gz YETWNMFIKAAUCV-CQSZACIVSA-N 2 1 236.359 1.776 20 0 BDADMP C[C@@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424337365 387980329 /nfs/dbraw/zinc/98/03/29/387980329.db2.gz KYJJJRCWOQTADJ-SSDOTTSWSA-N 2 1 210.281 1.207 20 0 BDADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[NH3+] ZINC000423191995 387975326 /nfs/dbraw/zinc/97/53/26/387975326.db2.gz UYTVYIZGVAYQTH-JTQLQIEISA-N 2 1 232.331 1.432 20 0 BDADMP [NH3+]CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423190064 387975919 /nfs/dbraw/zinc/97/59/19/387975919.db2.gz NHUUDPRAFYIDDY-GFCCVEGCSA-N 2 1 236.363 1.970 20 0 BDADMP C[C@@H]1[C@H]([NH2+]CC[NH3+])C[C@@H]1c1ccccc1 ZINC000423192056 387978044 /nfs/dbraw/zinc/97/80/44/387978044.db2.gz VFGUMCRBKHZFRK-WCFLWFBJSA-N 2 1 204.317 1.727 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423200956 387988530 /nfs/dbraw/zinc/98/85/30/387988530.db2.gz NQHFDQVVTNLXEO-JTQLQIEISA-N 2 1 208.305 1.652 20 0 BDADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423205086 387991583 /nfs/dbraw/zinc/99/15/83/387991583.db2.gz VGBOLNCYDCUUFC-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423205086 387991586 /nfs/dbraw/zinc/99/15/86/387991586.db2.gz VGBOLNCYDCUUFC-YNEHKIRRSA-N 3 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423205086 387991589 /nfs/dbraw/zinc/99/15/89/387991589.db2.gz VGBOLNCYDCUUFC-YNEHKIRRSA-N 3 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000423206962 387992158 /nfs/dbraw/zinc/99/21/58/387992158.db2.gz XKZBYZJZKQBLOG-NSHDSACASA-N 2 1 207.321 1.650 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000423207619 387993470 /nfs/dbraw/zinc/99/34/70/387993470.db2.gz XUOJIQDZYPHYAZ-SNVBAGLBSA-N 2 1 238.331 1.661 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cn[nH]c1 ZINC000453136132 387995057 /nfs/dbraw/zinc/99/50/57/387995057.db2.gz PMWKLOYMUAHSBX-DRZSPHRISA-N 2 1 236.363 1.933 20 0 BDADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423197309 387982719 /nfs/dbraw/zinc/98/27/19/387982719.db2.gz YWEYOPPWZXXKPK-OLZOCXBDSA-N 2 1 236.363 1.249 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCC12CCC2 ZINC000453105252 387986343 /nfs/dbraw/zinc/98/63/43/387986343.db2.gz WJBMVAXGMHICLL-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424373579 387997599 /nfs/dbraw/zinc/99/75/99/387997599.db2.gz JTFSDXAQQHUTNC-LPWJVIDDSA-N 2 1 225.380 1.186 20 0 BDADMP CCN1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424373579 387997602 /nfs/dbraw/zinc/99/76/02/387997602.db2.gz JTFSDXAQQHUTNC-LPWJVIDDSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]([NH3+])CC[NH2+][C@@H](C)c1ccncc1F ZINC000423223036 388004265 /nfs/dbraw/zinc/00/42/65/388004265.db2.gz DPJXVEFRQIXGKZ-BDAKNGLRSA-N 2 1 211.284 1.609 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423223359 388005718 /nfs/dbraw/zinc/00/57/18/388005718.db2.gz GDNHXIWRVJRMSK-VXGBXAGGSA-N 2 1 236.359 1.996 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)C2CCOCC2)CC1 ZINC000159327830 388007496 /nfs/dbraw/zinc/00/74/96/388007496.db2.gz DNOWHWGDWGMGMD-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453198524 388007877 /nfs/dbraw/zinc/00/78/77/388007877.db2.gz PCIDMXVPSNHSPZ-UONOGXRCSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453198524 388007884 /nfs/dbraw/zinc/00/78/84/388007884.db2.gz PCIDMXVPSNHSPZ-UONOGXRCSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423226563 388009346 /nfs/dbraw/zinc/00/93/46/388009346.db2.gz REHKSGPCAMNLLM-REWJHTLYSA-N 3 1 239.407 1.624 20 0 BDADMP C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@H+]1C1CC1 ZINC000424371333 387996309 /nfs/dbraw/zinc/99/63/09/387996309.db2.gz FUPJNEBRRXIZKG-CDGCEXEKSA-N 2 1 237.391 1.471 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])CN1C1CC1 ZINC000424371333 387996310 /nfs/dbraw/zinc/99/63/10/387996310.db2.gz FUPJNEBRRXIZKG-CDGCEXEKSA-N 2 1 237.391 1.471 20 0 BDADMP CCCC[C@@H](COC)[NH2+]CCc1c[nH+]cn1C ZINC000530460327 322813632 /nfs/dbraw/zinc/81/36/32/322813632.db2.gz LQGRUENCXWSQAH-LBPRGKRZSA-N 2 1 239.363 1.757 20 0 BDADMP CC[C@H](NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423249985 388032355 /nfs/dbraw/zinc/03/23/55/388032355.db2.gz PSJAAYMBUCKVGE-AVGNSLFASA-N 2 1 225.380 1.106 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)CC[N@H+]1C ZINC000453295612 388037105 /nfs/dbraw/zinc/03/71/05/388037105.db2.gz XNDPVXOEVNKIOQ-SDDRHHMPSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423266032 388044479 /nfs/dbraw/zinc/04/44/79/388044479.db2.gz RPMMZYZPXLJALY-MRVWCRGKSA-N 2 1 240.391 1.909 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000423261778 388040790 /nfs/dbraw/zinc/04/07/90/388040790.db2.gz KUZFCJNYULPPQG-QJPTWQEYSA-N 2 1 214.353 1.517 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccn(C)n1 ZINC000423264562 388042599 /nfs/dbraw/zinc/04/25/99/388042599.db2.gz ABLVCBIRJFAEGR-GMXVVIOVSA-N 2 1 236.363 1.588 20 0 BDADMP CC[NH2+]CC[NH2+]C1CCC(COC)CC1 ZINC000423244042 388028432 /nfs/dbraw/zinc/02/84/32/388028432.db2.gz XCIOTYONAXKBKB-UHFFFAOYSA-N 2 1 214.353 1.391 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cn1 ZINC000423273472 388053021 /nfs/dbraw/zinc/05/30/21/388053021.db2.gz IZJPGDUTGCOKBS-MFKMUULPSA-N 2 1 249.358 1.348 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cn1 ZINC000423273473 388053930 /nfs/dbraw/zinc/05/39/30/388053930.db2.gz IZJPGDUTGCOKBS-ZWNOBZJWSA-N 2 1 249.358 1.348 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C[C@@H]1OC ZINC000423274971 388055635 /nfs/dbraw/zinc/05/56/35/388055635.db2.gz LBQQZWPGAZILTR-XQQFMLRXSA-N 2 1 240.391 1.907 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000423275213 388057240 /nfs/dbraw/zinc/05/72/40/388057240.db2.gz MXMAMTUOJHTFFA-BFHYXJOUSA-N 2 1 239.407 1.496 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000423277746 388058164 /nfs/dbraw/zinc/05/81/64/388058164.db2.gz QCADIRYBFFIOEH-NWDGAFQWSA-N 2 1 236.363 1.370 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCSCC1 ZINC000423283372 388065596 /nfs/dbraw/zinc/06/55/96/388065596.db2.gz VWCRKVMWEZEWIH-JOYOIKCWSA-N 2 1 228.405 1.845 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@H+]1C ZINC000453386690 388066986 /nfs/dbraw/zinc/06/69/86/388066986.db2.gz OUXZEPNDYLYBML-WUHRBBMRSA-N 2 1 226.364 1.220 20 0 BDADMP COC[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453389993 388067552 /nfs/dbraw/zinc/06/75/52/388067552.db2.gz CPXUYMKHQZYXRK-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398159 388071130 /nfs/dbraw/zinc/07/11/30/388071130.db2.gz KGMQPTSGPNHIGX-GXTWGEPZSA-N 3 1 239.407 1.401 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000423288442 388072498 /nfs/dbraw/zinc/07/24/98/388072498.db2.gz SBSNGEIMLBPYAI-GHMZBOCLSA-N 2 1 213.369 1.044 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000423288442 388072502 /nfs/dbraw/zinc/07/25/02/388072502.db2.gz SBSNGEIMLBPYAI-GHMZBOCLSA-N 2 1 213.369 1.044 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423289310 388074693 /nfs/dbraw/zinc/07/46/93/388074693.db2.gz WSRQWNIIGYFKDW-FRRDWIJNSA-N 2 1 241.423 1.822 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084217737 388075302 /nfs/dbraw/zinc/07/53/02/388075302.db2.gz LFLTUDLEJGFMHY-QWHCGFSZSA-N 3 1 227.396 1.435 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084217739 388075315 /nfs/dbraw/zinc/07/53/15/388075315.db2.gz LFLTUDLEJGFMHY-STQMWFEESA-N 3 1 227.396 1.435 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000423295217 388077272 /nfs/dbraw/zinc/07/72/72/388077272.db2.gz DQHUNQSRSVYUTI-TUAOUCFPSA-N 2 1 214.353 1.661 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCCO1 ZINC000423295215 388077459 /nfs/dbraw/zinc/07/74/59/388077459.db2.gz DQHUNQSRSVYUTI-IJLUTSLNSA-N 2 1 214.353 1.661 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000084385163 388077820 /nfs/dbraw/zinc/07/78/20/388077820.db2.gz QOTPVCHSKADSDY-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000423297092 388078461 /nfs/dbraw/zinc/07/84/61/388078461.db2.gz IRGLACPRLHCFAN-WRWGMCAJSA-N 2 1 214.353 1.659 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000423296913 388078910 /nfs/dbraw/zinc/07/89/10/388078910.db2.gz HZGCTDYYNIRYTM-QWRGUYRKSA-N 2 1 241.379 1.151 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCC[NH3+] ZINC000423297860 388080009 /nfs/dbraw/zinc/08/00/09/388080009.db2.gz MECZRWXAKXKDRZ-QWRGUYRKSA-N 3 1 201.358 1.221 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000086437730 388102561 /nfs/dbraw/zinc/10/25/61/388102561.db2.gz KVZFZGXEJBEIKO-CYBMUJFWSA-N 2 1 227.396 1.260 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1=CCOCC1 ZINC000449404280 388195655 /nfs/dbraw/zinc/19/56/55/388195655.db2.gz UFIBBFJTWVYDPZ-UHFFFAOYSA-N 2 1 247.342 1.584 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC)COC2)[C@H](C)C1 ZINC000449596899 388239562 /nfs/dbraw/zinc/23/95/62/388239562.db2.gz CSEQOOGJLICHIH-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000414934282 256629913 /nfs/dbraw/zinc/62/99/13/256629913.db2.gz SSUITVGAPIXECM-JSGCOSHPSA-N 2 1 240.391 1.781 20 0 BDADMP CCc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000491542134 388302680 /nfs/dbraw/zinc/30/26/80/388302680.db2.gz AZILTALJMWEHCW-GFCCVEGCSA-N 2 1 235.375 1.931 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccnc1 ZINC000293655450 388356983 /nfs/dbraw/zinc/35/69/83/388356983.db2.gz LPDJUKIMZNZKFJ-NWDGAFQWSA-N 2 1 221.348 1.930 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000234876719 388362347 /nfs/dbraw/zinc/36/23/47/388362347.db2.gz WRAPVMHIPPPZGR-GHMZBOCLSA-N 2 1 222.332 1.563 20 0 BDADMP C[C@@H](CN)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000235146536 388365287 /nfs/dbraw/zinc/36/52/87/388365287.db2.gz ZEWPYHRIDQCDMH-UWVGGRQHSA-N 2 1 236.315 1.456 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1[NH3+] ZINC000300984905 388396451 /nfs/dbraw/zinc/39/64/51/388396451.db2.gz SNNITBVOBHPVAZ-OPRDCNLKSA-N 2 1 218.291 1.701 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1[NH3+] ZINC000300984905 388396453 /nfs/dbraw/zinc/39/64/53/388396453.db2.gz SNNITBVOBHPVAZ-OPRDCNLKSA-N 2 1 218.291 1.701 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2(O)CCC2)C1 ZINC000573955114 388442844 /nfs/dbraw/zinc/44/28/44/388442844.db2.gz XWIDGVYZZGXDPJ-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000309674174 388460628 /nfs/dbraw/zinc/46/06/28/388460628.db2.gz XEJNGIGRZMELJT-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP COCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397350022 388460989 /nfs/dbraw/zinc/46/09/89/388460989.db2.gz ZQSUFYQGTVFYBI-SRVKXCTJSA-N 2 1 214.353 1.328 20 0 BDADMP FCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336708148 388466550 /nfs/dbraw/zinc/46/65/50/388466550.db2.gz SFZOYSQIGCXSMR-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1(C)C ZINC000399090442 388475985 /nfs/dbraw/zinc/47/59/85/388475985.db2.gz WMRGFFQIVNRSPS-ZDEQEGDKSA-N 2 1 240.391 1.920 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000166638083 388429522 /nfs/dbraw/zinc/42/95/22/388429522.db2.gz TWEHYAKQDWUSMU-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP FC(F)[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000393413507 388429618 /nfs/dbraw/zinc/42/96/18/388429618.db2.gz BUTLZFDGGLYDDM-VLEAKVRGSA-N 2 1 230.302 1.856 20 0 BDADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000322491555 388436111 /nfs/dbraw/zinc/43/61/11/388436111.db2.gz CFGBNIWWMXILIK-JHJVBQTASA-N 2 1 228.380 1.874 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000356337524 388548621 /nfs/dbraw/zinc/54/86/21/388548621.db2.gz QBDDSUPYKHZUFE-YNEHKIRRSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+](C)C)CC1 ZINC000397860849 388507489 /nfs/dbraw/zinc/50/74/89/388507489.db2.gz YEABWGIHOOOONL-RYUDHWBXSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860849 388507491 /nfs/dbraw/zinc/50/74/91/388507491.db2.gz YEABWGIHOOOONL-RYUDHWBXSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860849 388507493 /nfs/dbraw/zinc/50/74/93/388507493.db2.gz YEABWGIHOOOONL-RYUDHWBXSA-N 2 1 225.380 1.010 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261559684 135200098 /nfs/dbraw/zinc/20/00/98/135200098.db2.gz ZFRYNLIGGIIYKG-GHMZBOCLSA-N 2 1 214.353 1.328 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000398035760 388515990 /nfs/dbraw/zinc/51/59/90/388515990.db2.gz PRWMDXZPLHXYHC-QWHCGFSZSA-N 2 1 240.391 1.779 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@@H]1CCOC1 ZINC000352539440 388536921 /nfs/dbraw/zinc/53/69/21/388536921.db2.gz ARQXCBPDXMYGQI-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP CCOCC(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000379193990 388596790 /nfs/dbraw/zinc/59/67/90/388596790.db2.gz ZRMRANMGUXQEMO-LBPRGKRZSA-N 2 1 246.395 1.092 20 0 BDADMP CCOCC(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000379193990 388596791 /nfs/dbraw/zinc/59/67/91/388596791.db2.gz ZRMRANMGUXQEMO-LBPRGKRZSA-N 2 1 246.395 1.092 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cccc(C)c1 ZINC000517575440 388554516 /nfs/dbraw/zinc/55/45/16/388554516.db2.gz AEYDLKBKAZDHNO-AWEZNQCLSA-N 2 1 236.359 1.397 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cccc(C)c1 ZINC000517575440 388554518 /nfs/dbraw/zinc/55/45/18/388554518.db2.gz AEYDLKBKAZDHNO-AWEZNQCLSA-N 2 1 236.359 1.397 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000252712598 388574170 /nfs/dbraw/zinc/57/41/70/388574170.db2.gz MUYLLRQJQFBHQE-TZMCWYRMSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000252712598 388574173 /nfs/dbraw/zinc/57/41/73/388574173.db2.gz MUYLLRQJQFBHQE-TZMCWYRMSA-N 2 1 239.407 1.258 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](C)O ZINC000386746321 388576390 /nfs/dbraw/zinc/57/63/90/388576390.db2.gz ZSFOMIYYINSYGX-KKOKHZNYSA-N 2 1 214.353 1.218 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](C)O ZINC000386746321 388576393 /nfs/dbraw/zinc/57/63/93/388576393.db2.gz ZSFOMIYYINSYGX-KKOKHZNYSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C[N@H+]1C1CC1 ZINC000530179950 388623297 /nfs/dbraw/zinc/62/32/97/388623297.db2.gz ZAEJYUAEVZIECD-YRGRVCCFSA-N 2 1 249.402 1.486 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530218171 388630569 /nfs/dbraw/zinc/63/05/69/388630569.db2.gz IAGCCCUMSMEUFG-AGIUHOORSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000530220563 388632882 /nfs/dbraw/zinc/63/28/82/388632882.db2.gz AJJBCMQFDQDXGA-UTLUCORTSA-N 2 1 225.311 1.997 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530224209 388633922 /nfs/dbraw/zinc/63/39/22/388633922.db2.gz VMAYWVMZGQEPOK-AXFHLTTASA-N 2 1 212.337 1.284 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425581 388640505 /nfs/dbraw/zinc/64/05/05/388640505.db2.gz FMGMMHGYZCMLLA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246907774 388655539 /nfs/dbraw/zinc/65/55/39/388655539.db2.gz FODIPNPJHKUMQB-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985076 388656748 /nfs/dbraw/zinc/65/67/48/388656748.db2.gz JUFHUZQYTQMTHF-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985076 388656750 /nfs/dbraw/zinc/65/67/50/388656750.db2.gz JUFHUZQYTQMTHF-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985076 388656752 /nfs/dbraw/zinc/65/67/52/388656752.db2.gz JUFHUZQYTQMTHF-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)COC)C1 ZINC000247143979 388659471 /nfs/dbraw/zinc/65/94/71/388659471.db2.gz SNOQTMKNSNAEAM-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)CC[N@H+]1C ZINC000247234268 388661328 /nfs/dbraw/zinc/66/13/28/388661328.db2.gz YMZJWUJAHKSKON-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000128105774 388739378 /nfs/dbraw/zinc/73/93/78/388739378.db2.gz WPYFGEUTBKWEAK-STQMWFEESA-N 2 1 236.363 1.203 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000251535774 388749226 /nfs/dbraw/zinc/74/92/26/388749226.db2.gz KNYZEJJRHDJDDL-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000552338805 388694072 /nfs/dbraw/zinc/69/40/72/388694072.db2.gz PYBUBPNGHAQMNQ-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000552338805 388694073 /nfs/dbraw/zinc/69/40/73/388694073.db2.gz PYBUBPNGHAQMNQ-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCn2cccn2)CC[N@H+]1C ZINC000126982486 388710281 /nfs/dbraw/zinc/71/02/81/388710281.db2.gz ILUGDTKKZDJTBE-QWHCGFSZSA-N 2 1 236.363 1.346 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]CCC[S@@](C)=O)CC1 ZINC000127110965 388714536 /nfs/dbraw/zinc/71/45/36/388714536.db2.gz MQURGVLZSHZOAX-INIZCTEOSA-N 2 1 246.420 1.217 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@@H](C)C1 ZINC000552576456 388727881 /nfs/dbraw/zinc/72/78/81/388727881.db2.gz XXCKJDQECAIBHG-XDQVBPFNSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CC1 ZINC000227799946 388758674 /nfs/dbraw/zinc/75/86/74/388758674.db2.gz UZAOCVZNUXBWJG-GJZGRUSLSA-N 2 1 248.370 1.259 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703130 388771830 /nfs/dbraw/zinc/77/18/30/388771830.db2.gz KQFXAKGHKYXZFF-FRRDWIJNSA-N 2 1 226.364 1.220 20 0 BDADMP c1cnn(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252703287 388771967 /nfs/dbraw/zinc/77/19/67/388771967.db2.gz QGOBGIVUSXNGAD-KBPBESRZSA-N 2 1 248.374 1.490 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252709683 388773818 /nfs/dbraw/zinc/77/38/18/388773818.db2.gz DNCWOUHRVFXRCO-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228697806 388818154 /nfs/dbraw/zinc/81/81/54/388818154.db2.gz ODLJKKMZCLYYFV-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228697797 388818778 /nfs/dbraw/zinc/81/87/78/388818778.db2.gz ODLJKKMZCLYYFV-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@]1(C)CO ZINC000554811769 388830813 /nfs/dbraw/zinc/83/08/13/388830813.db2.gz JORUGTUZYLEPRX-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CC(C)[N@H+]1CCCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000565038901 388910247 /nfs/dbraw/zinc/91/02/47/388910247.db2.gz VOPRPSGJGPKDBK-LBPRGKRZSA-N 2 1 241.379 1.057 20 0 BDADMP C[N@@H+](CCCC[NH2+]CC1(F)CC1)C1CC1 ZINC000565699534 388963851 /nfs/dbraw/zinc/96/38/51/388963851.db2.gz JGSKZARDSHXIGI-UHFFFAOYSA-N 2 1 214.328 1.953 20 0 BDADMP COCC[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268888819 389005359 /nfs/dbraw/zinc/00/53/59/389005359.db2.gz UBYJNACXHMNYNY-NSHDSACASA-N 2 1 225.336 1.596 20 0 BDADMP C[NH2+]C[C@@H]1CCCN(c2cc(C)cc[nH+]2)C1 ZINC000043561773 132224866 /nfs/dbraw/zinc/22/48/66/132224866.db2.gz AMGSQDICKGHWCT-LBPRGKRZSA-N 2 1 219.332 1.826 20 0 BDADMP CCc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000250523911 132231659 /nfs/dbraw/zinc/23/16/59/132231659.db2.gz QUFMJYFAGGFNFY-JQWIXIFHSA-N 2 1 248.374 1.911 20 0 BDADMP Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)nc(C)[nH+]1 ZINC000250959289 132232222 /nfs/dbraw/zinc/23/22/22/132232222.db2.gz GGFWUYNKYAJUTC-NXEZZACHSA-N 2 1 220.320 1.280 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167556212 134013786 /nfs/dbraw/zinc/01/37/86/134013786.db2.gz SCGKVLOVEXIXBF-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1nccn1CC[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000335975319 134030894 /nfs/dbraw/zinc/03/08/94/134030894.db2.gz JIYYCBNKGAOLLE-NWDGAFQWSA-N 2 1 236.363 1.216 20 0 BDADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000217808150 134250555 /nfs/dbraw/zinc/25/05/55/134250555.db2.gz DXDRYDXWHVCDKM-CABZTGNLSA-N 2 1 242.750 1.652 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(O)CC1 ZINC000217841627 134250759 /nfs/dbraw/zinc/25/07/59/134250759.db2.gz RYKJHXLOKOXSGE-HIFPTAJRSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(O)CC1 ZINC000217841627 134250760 /nfs/dbraw/zinc/25/07/60/134250760.db2.gz RYKJHXLOKOXSGE-HIFPTAJRSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H]([NH3+])CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000178655000 134312564 /nfs/dbraw/zinc/31/25/64/134312564.db2.gz SSPOGEDQGINASD-WCQYABFASA-N 2 1 249.358 1.143 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000179247729 134318305 /nfs/dbraw/zinc/31/83/05/134318305.db2.gz HTLFEPKSNCURGM-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000179247729 134318306 /nfs/dbraw/zinc/31/83/06/134318306.db2.gz HTLFEPKSNCURGM-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000179247729 134318307 /nfs/dbraw/zinc/31/83/07/134318307.db2.gz HTLFEPKSNCURGM-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP c1ncc(CN2CCC[C@@H]2C[NH+]2CCCC2)[nH]1 ZINC000179644351 134322940 /nfs/dbraw/zinc/32/29/40/134322940.db2.gz LPBPKSUVJKQKQM-CYBMUJFWSA-N 2 1 234.347 1.470 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)CC[N@H+]1C ZINC000221588351 134325413 /nfs/dbraw/zinc/32/54/13/134325413.db2.gz VBXRCEXIOIQSHG-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000181353492 134335671 /nfs/dbraw/zinc/33/56/71/134335671.db2.gz DITXTYVORMTEJH-RTXFEEFZSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000181353492 134335672 /nfs/dbraw/zinc/33/56/72/134335672.db2.gz DITXTYVORMTEJH-RTXFEEFZSA-N 2 1 248.374 1.339 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000223199284 134337451 /nfs/dbraw/zinc/33/74/51/134337451.db2.gz OKJUPXFJWPLMJC-XQQFMLRXSA-N 2 1 227.396 1.256 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)C)[C@@H](C)C1 ZINC000223199284 134337452 /nfs/dbraw/zinc/33/74/52/134337452.db2.gz OKJUPXFJWPLMJC-XQQFMLRXSA-N 2 1 227.396 1.256 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCOCC2CC2)CC[N@H+]1C ZINC000223378255 134338794 /nfs/dbraw/zinc/33/87/94/134338794.db2.gz RUOHJBQAFPCMPA-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC)C2(C)C)CC1 ZINC000224533767 134348631 /nfs/dbraw/zinc/34/86/31/134348631.db2.gz KRLJHKXICCIBRX-STQMWFEESA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(O)CC1 ZINC000226336507 134360741 /nfs/dbraw/zinc/36/07/41/134360741.db2.gz GMMDPUNRZSBFPL-UHFFFAOYSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CS1 ZINC000226863990 134370511 /nfs/dbraw/zinc/37/05/11/134370511.db2.gz AFHKPTXINZJKDM-QCNOEVLYSA-N 2 1 228.405 1.953 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000227172466 134374475 /nfs/dbraw/zinc/37/44/75/134374475.db2.gz VPIWQBAQYPIIRB-YNEHKIRRSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000227172466 134374476 /nfs/dbraw/zinc/37/44/76/134374476.db2.gz VPIWQBAQYPIIRB-YNEHKIRRSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000227172466 134374477 /nfs/dbraw/zinc/37/44/77/134374477.db2.gz VPIWQBAQYPIIRB-YNEHKIRRSA-N 2 1 227.396 1.256 20 0 BDADMP Cc1ncsc1C[NH2+]CCC[NH2+]C1CC1 ZINC000070838208 134925359 /nfs/dbraw/zinc/92/53/59/134925359.db2.gz YOBFHOIMMYBQLM-UHFFFAOYSA-N 2 1 225.361 1.683 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248389538 135002243 /nfs/dbraw/zinc/00/22/43/135002243.db2.gz SIUSUDKEISOSDJ-UTUOFQBUSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000249297388 135042872 /nfs/dbraw/zinc/04/28/72/135042872.db2.gz DMPKCBRDQSIQEM-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000234736065 135044190 /nfs/dbraw/zinc/04/41/90/135044190.db2.gz LSUVDGXHOYKLNN-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000250111000 135049371 /nfs/dbraw/zinc/04/93/71/135049371.db2.gz KWFUEKYMXSIHIN-NEPJUHHUSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000251095610 135064395 /nfs/dbraw/zinc/06/43/95/135064395.db2.gz LGNNXMHVRPBVRG-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251228194 135066276 /nfs/dbraw/zinc/06/62/76/135066276.db2.gz PUHGDRDOVSKPQF-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251228194 135066278 /nfs/dbraw/zinc/06/62/78/135066278.db2.gz PUHGDRDOVSKPQF-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000251228194 135066279 /nfs/dbraw/zinc/06/62/79/135066279.db2.gz PUHGDRDOVSKPQF-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251615355 135072310 /nfs/dbraw/zinc/07/23/10/135072310.db2.gz DQOPOMRUZYOSCI-OUAUKWLOSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1C ZINC000252106242 135083549 /nfs/dbraw/zinc/08/35/49/135083549.db2.gz IYZYLKQCYWPRTR-XJFOESAGSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCN1C ZINC000252106242 135083550 /nfs/dbraw/zinc/08/35/50/135083550.db2.gz IYZYLKQCYWPRTR-XJFOESAGSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000252539539 135091690 /nfs/dbraw/zinc/09/16/90/135091690.db2.gz BPMLUDZEMMFQMD-WCFLWFBJSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000252539539 135091692 /nfs/dbraw/zinc/09/16/92/135091692.db2.gz BPMLUDZEMMFQMD-WCFLWFBJSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000252539538 135092038 /nfs/dbraw/zinc/09/20/38/135092038.db2.gz BPMLUDZEMMFQMD-DRZSPHRISA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000252539538 135092041 /nfs/dbraw/zinc/09/20/41/135092041.db2.gz BPMLUDZEMMFQMD-DRZSPHRISA-N 2 1 224.348 1.238 20 0 BDADMP Cn1cncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668643 135095279 /nfs/dbraw/zinc/09/52/79/135095279.db2.gz YUPRCUXCEZLMTA-NEPJUHHUSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1cncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668643 135095281 /nfs/dbraw/zinc/09/52/81/135095281.db2.gz YUPRCUXCEZLMTA-NEPJUHHUSA-N 2 1 234.347 1.137 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252682959 135096034 /nfs/dbraw/zinc/09/60/34/135096034.db2.gz CYQVCAKMRKWFNU-APYLGABCSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252682959 135096036 /nfs/dbraw/zinc/09/60/36/135096036.db2.gz CYQVCAKMRKWFNU-APYLGABCSA-N 2 1 238.375 1.769 20 0 BDADMP [NH3+]C[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086832930 135097870 /nfs/dbraw/zinc/09/78/70/135097870.db2.gz VBPVDRGKUIXOII-SECBINFHSA-N 2 1 225.723 1.910 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)O)[C@H](C)C1 ZINC000252714101 135100301 /nfs/dbraw/zinc/10/03/01/135100301.db2.gz QZPAFLRMJJOENJ-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730926 135104075 /nfs/dbraw/zinc/10/40/75/135104075.db2.gz NMKKRVILNCXHMV-WOPDTQHZSA-N 2 1 228.405 1.954 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252731529 135104501 /nfs/dbraw/zinc/10/45/01/135104501.db2.gz QIACHTAZQDGYER-GMTAPVOTSA-N 2 1 216.394 1.668 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252758098 135107485 /nfs/dbraw/zinc/10/74/85/135107485.db2.gz CGAOHWMIPMUKSF-SDDRHHMPSA-N 2 1 242.363 1.387 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252758098 135107488 /nfs/dbraw/zinc/10/74/88/135107488.db2.gz CGAOHWMIPMUKSF-SDDRHHMPSA-N 2 1 242.363 1.387 20 0 BDADMP COCC(C)(C)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261782187 135110676 /nfs/dbraw/zinc/11/06/76/135110676.db2.gz FNBZGENQCBBIKH-NEPJUHHUSA-N 2 1 228.380 1.718 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252790141 135111210 /nfs/dbraw/zinc/11/12/10/135111210.db2.gz YOEJPNQXGVUCCV-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252849329 135112820 /nfs/dbraw/zinc/11/28/20/135112820.db2.gz HBOCQKPTLQONLS-BJDJZHNGSA-N 2 1 212.337 1.081 20 0 BDADMP COCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252853371 135113050 /nfs/dbraw/zinc/11/30/50/135113050.db2.gz JBGNIOJYOZUUSS-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)[C@@H](C)O1 ZINC000261921895 135113620 /nfs/dbraw/zinc/11/36/20/135113620.db2.gz KPMAJPRVFJVTON-GRYCIOLGSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000253336047 135126489 /nfs/dbraw/zinc/12/64/89/135126489.db2.gz YDXQNUHJVIDENL-DTWKUNHWSA-N 2 1 240.269 1.453 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257643785 135137516 /nfs/dbraw/zinc/13/75/16/135137516.db2.gz BODOVNKPDDCQLX-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257643785 135137518 /nfs/dbraw/zinc/13/75/18/135137518.db2.gz BODOVNKPDDCQLX-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257641400 135137876 /nfs/dbraw/zinc/13/78/76/135137876.db2.gz AZZBCXLCSLVXBO-RYUDHWBXSA-N 2 1 226.389 1.425 20 0 BDADMP Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000257741893 135140533 /nfs/dbraw/zinc/14/05/33/135140533.db2.gz SPUSAPXCHFHDSC-ZDUSSCGKSA-N 2 1 232.331 1.283 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000257735688 135140538 /nfs/dbraw/zinc/14/05/38/135140538.db2.gz KMWNZDVMXIYWHA-NSHDSACASA-N 2 1 222.336 1.197 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257713853 135140577 /nfs/dbraw/zinc/14/05/77/135140577.db2.gz UGRRRVTWYZXGQE-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP CSCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261530166 135157714 /nfs/dbraw/zinc/15/77/14/135157714.db2.gz XOBXSIGLXPRMSK-MNOVXSKESA-N 2 1 216.394 1.669 20 0 BDADMP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000261530512 135158310 /nfs/dbraw/zinc/15/83/10/135158310.db2.gz CPRNBDXBYPYFSM-NEPJUHHUSA-N 2 1 222.357 1.932 20 0 BDADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000261530512 135158312 /nfs/dbraw/zinc/15/83/12/135158312.db2.gz CPRNBDXBYPYFSM-NEPJUHHUSA-N 2 1 222.357 1.932 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261532164 135162375 /nfs/dbraw/zinc/16/23/75/135162375.db2.gz JLSYJFHIBGTAGB-OLZOCXBDSA-N 2 1 208.349 1.718 20 0 BDADMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000261533600 135164805 /nfs/dbraw/zinc/16/48/05/135164805.db2.gz LCFYKKOKHGZLGK-NXEZZACHSA-N 2 1 208.305 1.521 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCSC3)C[C@H]21 ZINC000261533914 135165956 /nfs/dbraw/zinc/16/59/56/135165956.db2.gz LFABFNHBEBXYNW-FDYHWXHSSA-N 2 1 240.416 1.799 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261534181 135166655 /nfs/dbraw/zinc/16/66/55/135166655.db2.gz ODQIBPBVVCZBJQ-QWHCGFSZSA-N 2 1 228.380 1.576 20 0 BDADMP CO[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1C ZINC000261534665 135168082 /nfs/dbraw/zinc/16/80/82/135168082.db2.gz SLPQZGWINJSYIL-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCO[C@H](C)C2)CC[NH2+]1 ZINC000261534565 135168268 /nfs/dbraw/zinc/16/82/68/135168268.db2.gz SDLUWYFBUCDSIH-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOC1 ZINC000087783694 135169434 /nfs/dbraw/zinc/16/94/34/135169434.db2.gz NIMMBYUPDUNYNV-DDHJBXDOSA-N 2 1 212.337 1.094 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000261535507 135169604 /nfs/dbraw/zinc/16/96/04/135169604.db2.gz ZXVGZWMAOHXBOF-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000261535391 135169741 /nfs/dbraw/zinc/16/97/41/135169741.db2.gz YBDYWKYJMNSYKY-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000261536266 135171516 /nfs/dbraw/zinc/17/15/16/135171516.db2.gz RASAXBHAQKONKR-NWDGAFQWSA-N 2 1 222.357 1.789 20 0 BDADMP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000261536266 135171518 /nfs/dbraw/zinc/17/15/18/135171518.db2.gz RASAXBHAQKONKR-NWDGAFQWSA-N 2 1 222.357 1.789 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261538866 135176817 /nfs/dbraw/zinc/17/68/17/135176817.db2.gz ZRDKKUBESPCNSL-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)C[NH+](Cc1noc(CN)n1)CC(C)C ZINC000261539713 135178816 /nfs/dbraw/zinc/17/88/16/135178816.db2.gz BEMVQXFXJXGMTF-UHFFFAOYSA-N 2 1 240.351 1.642 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCCN2C)CC[NH2+]1 ZINC000261540982 135180275 /nfs/dbraw/zinc/18/02/75/135180275.db2.gz IAVZSUDDKMXQJI-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1cnn(CC[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000261543347 135183794 /nfs/dbraw/zinc/18/37/94/135183794.db2.gz CXVNQAOSAYDRJY-CYBMUJFWSA-N 2 1 236.363 1.265 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261544353 135185164 /nfs/dbraw/zinc/18/51/64/135185164.db2.gz DTTFGHRVXBJJHE-VOAKCMCISA-N 2 1 231.343 1.812 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000261544971 135186310 /nfs/dbraw/zinc/18/63/10/135186310.db2.gz FLEMVSCIIZWRAK-RBSFLKMASA-N 2 1 230.355 1.898 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261549000 135187732 /nfs/dbraw/zinc/18/77/32/135187732.db2.gz KCUWBASWOZJFDN-AVGNSLFASA-N 2 1 231.343 1.559 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261554203 135193450 /nfs/dbraw/zinc/19/34/50/135193450.db2.gz UAYHTNAICXZIKO-RYUDHWBXSA-N 2 1 208.349 1.718 20 0 BDADMP CCc1nc(N2CCC[C@@H](CC[NH3+])C2)cc(C)[nH+]1 ZINC000261556680 135196816 /nfs/dbraw/zinc/19/68/16/135196816.db2.gz CDNZXTRITKCWLU-LBPRGKRZSA-N 2 1 248.374 1.913 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261563694 135205333 /nfs/dbraw/zinc/20/53/33/135205333.db2.gz XDSFVNQAFHQHOB-OLZOCXBDSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261563694 135205335 /nfs/dbraw/zinc/20/53/35/135205335.db2.gz XDSFVNQAFHQHOB-OLZOCXBDSA-N 2 1 231.343 1.431 20 0 BDADMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261564283 135206258 /nfs/dbraw/zinc/20/62/58/135206258.db2.gz HDYDETJVXIPETM-NWANDNLSSA-N 2 1 246.354 1.864 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261565224 135207078 /nfs/dbraw/zinc/20/70/78/135207078.db2.gz CYNXXJPPPIUAFA-NXEZZACHSA-N 2 1 237.734 1.781 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]12 ZINC000261570960 135213522 /nfs/dbraw/zinc/21/35/22/135213522.db2.gz HFGJOFGGQVYRRN-FDYHWXHSSA-N 2 1 224.348 1.082 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261571857 135213798 /nfs/dbraw/zinc/21/37/98/135213798.db2.gz LKCIXZJVVKQHBB-ZFWWWQNUSA-N 2 1 246.354 1.879 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261571857 135213800 /nfs/dbraw/zinc/21/38/00/135213800.db2.gz LKCIXZJVVKQHBB-ZFWWWQNUSA-N 2 1 246.354 1.879 20 0 BDADMP CCc1nc(N2CCC[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000261572444 135214644 /nfs/dbraw/zinc/21/46/44/135214644.db2.gz IEYUVXGWKBECIH-JTQLQIEISA-N 2 1 220.320 1.275 20 0 BDADMP Cc1ncsc1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000084385997 135218106 /nfs/dbraw/zinc/21/81/06/135218106.db2.gz XFYQNYVSHXKOSQ-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP Cc1cccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000261578205 135219132 /nfs/dbraw/zinc/21/91/32/135219132.db2.gz LOHOTBJSMVRYQX-RYUDHWBXSA-N 2 1 217.316 1.436 20 0 BDADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261578606 135220103 /nfs/dbraw/zinc/22/01/03/135220103.db2.gz LUCVCGAZLABNHP-NEPJUHHUSA-N 2 1 217.316 1.123 20 0 BDADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261578606 135220104 /nfs/dbraw/zinc/22/01/04/135220104.db2.gz LUCVCGAZLABNHP-NEPJUHHUSA-N 2 1 217.316 1.123 20 0 BDADMP CCc1nc(N2CC[C@@H]([NH3+])[C@H]2C)cc(C)[nH+]1 ZINC000261582007 135222710 /nfs/dbraw/zinc/22/27/10/135222710.db2.gz NXWZYQBSINJOOM-NXEZZACHSA-N 2 1 220.320 1.273 20 0 BDADMP CCc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000261582831 135224196 /nfs/dbraw/zinc/22/41/96/135224196.db2.gz RJQVZZJTPIZIHJ-CQSZACIVSA-N 2 1 246.358 1.537 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261583293 135224300 /nfs/dbraw/zinc/22/43/00/135224300.db2.gz OXFORJXZPVBTDS-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261584038 135225050 /nfs/dbraw/zinc/22/50/50/135225050.db2.gz SAOPIEFKHCQPEO-IACUBPJLSA-N 2 1 246.354 1.864 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000261587634 135228436 /nfs/dbraw/zinc/22/84/36/135228436.db2.gz RWFKWWMZBMEMBF-MVWJERBFSA-N 2 1 221.304 1.152 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000261587634 135228437 /nfs/dbraw/zinc/22/84/37/135228437.db2.gz RWFKWWMZBMEMBF-MVWJERBFSA-N 2 1 221.304 1.152 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261591579 135231970 /nfs/dbraw/zinc/23/19/70/135231970.db2.gz XSHMJWSYGFSMPP-DFBGVHRSSA-N 2 1 245.370 1.815 20 0 BDADMP COc1ccsc1C[NH+]1CCC([NH3+])CC1 ZINC000261592598 135232597 /nfs/dbraw/zinc/23/25/97/135232597.db2.gz VYEITRRKRBRHFT-UHFFFAOYSA-N 2 1 226.345 1.680 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOCC1CC1 ZINC000261595426 135235081 /nfs/dbraw/zinc/23/50/81/135235081.db2.gz YCIYMDXTJMQHDA-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000261602953 135237417 /nfs/dbraw/zinc/23/74/17/135237417.db2.gz ASBDTMOTDMROOH-AEGPPILISA-N 2 1 246.354 1.450 20 0 BDADMP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000261602953 135237418 /nfs/dbraw/zinc/23/74/18/135237418.db2.gz ASBDTMOTDMROOH-AEGPPILISA-N 2 1 246.354 1.450 20 0 BDADMP CCc1cc(N2CC[C@@H]([NH3+])[C@H]2C)nc(C)[nH+]1 ZINC000261599068 135238059 /nfs/dbraw/zinc/23/80/59/135238059.db2.gz ZTXHSROXFMYHDF-LDYMZIIASA-N 2 1 220.320 1.273 20 0 BDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000261547176 135240081 /nfs/dbraw/zinc/24/00/81/135240081.db2.gz LZCJRMHMIYKEGF-UKRRQHHQSA-N 2 1 247.386 1.458 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000261547190 135240195 /nfs/dbraw/zinc/24/01/95/135240195.db2.gz LZYIVMFMSZCCCV-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H](C)[NH3+] ZINC000261547410 135240551 /nfs/dbraw/zinc/24/05/51/135240551.db2.gz HYOJGBQEUHKWBE-VHSXEESVSA-N 2 1 236.315 1.283 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261628493 135241815 /nfs/dbraw/zinc/24/18/15/135241815.db2.gz DJSYHWMPLNAKKS-SMDDNHRTSA-N 2 1 233.359 1.971 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC000261628493 135241817 /nfs/dbraw/zinc/24/18/17/135241817.db2.gz DJSYHWMPLNAKKS-SMDDNHRTSA-N 2 1 233.359 1.971 20 0 BDADMP C[N@H+](Cc1noc(CN)n1)C(C1CC1)C1CC1 ZINC000261686452 135245621 /nfs/dbraw/zinc/24/56/21/135245621.db2.gz ISMLEAKWYYNQKF-UHFFFAOYSA-N 2 1 236.319 1.149 20 0 BDADMP CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000261731080 135248120 /nfs/dbraw/zinc/24/81/20/135248120.db2.gz HECVDVHFVAHRKL-UONOGXRCSA-N 2 1 237.391 1.155 20 0 BDADMP CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000261731071 135248251 /nfs/dbraw/zinc/24/82/51/135248251.db2.gz HECVDVHFVAHRKL-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC000261785404 135252397 /nfs/dbraw/zinc/25/23/97/135252397.db2.gz PSHUDJCBYOYXDS-MELADBBJSA-N 3 1 237.391 1.045 20 0 BDADMP CN1CC[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803611 135254292 /nfs/dbraw/zinc/25/42/92/135254292.db2.gz HDHQBPMCOYMPGA-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803611 135254293 /nfs/dbraw/zinc/25/42/93/135254293.db2.gz HDHQBPMCOYMPGA-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803611 135254294 /nfs/dbraw/zinc/25/42/94/135254294.db2.gz HDHQBPMCOYMPGA-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803611 135254295 /nfs/dbraw/zinc/25/42/95/135254295.db2.gz HDHQBPMCOYMPGA-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803611 135254296 /nfs/dbraw/zinc/25/42/96/135254296.db2.gz HDHQBPMCOYMPGA-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000261897891 135261052 /nfs/dbraw/zinc/26/10/52/135261052.db2.gz WDMBXGIHBGSXFA-BFHYXJOUSA-N 2 1 240.391 1.862 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261912857 135262598 /nfs/dbraw/zinc/26/25/98/135262598.db2.gz JMGCIFDGHCPXNU-ZDUSSCGKSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H]3COCC[C@@H]32)CC[NH2+]C1 ZINC000261954959 135265962 /nfs/dbraw/zinc/26/59/62/135265962.db2.gz GPDKQKCMUDHBMB-IHRRRGAJSA-N 2 1 238.375 1.487 20 0 BDADMP C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261953281 135266281 /nfs/dbraw/zinc/26/62/81/135266281.db2.gz OOVAVDFSBIMMLN-BFHYXJOUSA-N 2 1 238.375 1.676 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC000261963899 135266682 /nfs/dbraw/zinc/26/66/82/135266682.db2.gz POUUNOZTGIHLSF-RFQIPJPRSA-N 2 1 238.375 1.472 20 0 BDADMP C[C@]1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC000261980308 135268595 /nfs/dbraw/zinc/26/85/95/135268595.db2.gz JBTRYWJJUORIDV-ZDUSSCGKSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261979637 135269087 /nfs/dbraw/zinc/26/90/87/135269087.db2.gz RDBKUZWYIAHCST-NWDGAFQWSA-N 2 1 225.380 1.010 20 0 BDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000262016257 135272956 /nfs/dbraw/zinc/27/29/56/135272956.db2.gz VSAQYXUCJUVCJD-GFCCVEGCSA-N 2 1 236.363 1.553 20 0 BDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000262016257 135272957 /nfs/dbraw/zinc/27/29/57/135272957.db2.gz VSAQYXUCJUVCJD-GFCCVEGCSA-N 2 1 236.363 1.553 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000262030865 135273667 /nfs/dbraw/zinc/27/36/67/135273667.db2.gz XDJQIAAEAVIQBN-KBPBESRZSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC[NH2+]C1 ZINC000262042160 135275661 /nfs/dbraw/zinc/27/56/61/135275661.db2.gz PGVZXRZRNBGXBL-TZMCWYRMSA-N 2 1 248.374 1.589 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C2CC2)O1 ZINC000262054013 135276724 /nfs/dbraw/zinc/27/67/24/135276724.db2.gz ZXAQCQYWNLQBNU-RISCZKNCSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262061762 135276855 /nfs/dbraw/zinc/27/68/55/135276855.db2.gz RFBOFONWQBVPSK-AVGNSLFASA-N 2 1 226.364 1.079 20 0 BDADMP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000262067301 135277066 /nfs/dbraw/zinc/27/70/66/135277066.db2.gz RRNUJHMFHKEZQC-UHFFFAOYSA-N 2 1 246.358 1.361 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262061770 135277304 /nfs/dbraw/zinc/27/73/04/135277304.db2.gz RFBOFONWQBVPSK-YNEHKIRRSA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOCC(F)F)C[C@H]21 ZINC000262116247 135279401 /nfs/dbraw/zinc/27/94/01/135279401.db2.gz LHPZRZHIOOWVGK-HBNTYKKESA-N 2 1 248.317 1.327 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC1=[NH+]CCCN1 ZINC000263161824 135336453 /nfs/dbraw/zinc/33/64/53/135336453.db2.gz OZRXGLWVANIZTE-TXEJJXNPSA-N 2 1 238.379 1.188 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000343036218 135351623 /nfs/dbraw/zinc/35/16/23/135351623.db2.gz ZMVDUVBZRCFEOL-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000343036218 135351624 /nfs/dbraw/zinc/35/16/24/135351624.db2.gz ZMVDUVBZRCFEOL-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000343036218 135351625 /nfs/dbraw/zinc/35/16/25/135351625.db2.gz ZMVDUVBZRCFEOL-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000343036220 135351718 /nfs/dbraw/zinc/35/17/18/135351718.db2.gz ZMVDUVBZRCFEOL-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000343036220 135351719 /nfs/dbraw/zinc/35/17/19/135351719.db2.gz ZMVDUVBZRCFEOL-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1CN(C)C[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000343036220 135351721 /nfs/dbraw/zinc/35/17/21/135351721.db2.gz ZMVDUVBZRCFEOL-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000334398450 135388041 /nfs/dbraw/zinc/38/80/41/135388041.db2.gz LXZQCPVHBGGGOY-UKRRQHHQSA-N 2 1 245.370 1.916 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334412714 135396381 /nfs/dbraw/zinc/39/63/81/135396381.db2.gz LKNRXLAUDXYINP-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334412714 135396383 /nfs/dbraw/zinc/39/63/83/135396383.db2.gz LKNRXLAUDXYINP-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348175060 136042689 /nfs/dbraw/zinc/04/26/89/136042689.db2.gz YGUXYFXLJLYQCF-STQMWFEESA-N 2 1 237.347 1.332 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cnn(C)c1 ZINC000348309978 136066454 /nfs/dbraw/zinc/06/64/54/136066454.db2.gz QCPRBFDVCWPJKZ-YPMHNXCESA-N 2 1 236.363 1.555 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cnn(C)c1 ZINC000348309978 136066455 /nfs/dbraw/zinc/06/64/55/136066455.db2.gz QCPRBFDVCWPJKZ-YPMHNXCESA-N 2 1 236.363 1.555 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)C(C)(C)C)C2)C1 ZINC000335569834 136109236 /nfs/dbraw/zinc/10/92/36/136109236.db2.gz IOHFXJDGNWSXFE-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+](C)Cc1ccc(-c2noc(C[NH3+])n2)cc1 ZINC000075878980 322860606 /nfs/dbraw/zinc/86/06/06/322860606.db2.gz IMIZJXAMLRZDPY-UHFFFAOYSA-N 2 1 232.287 1.257 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1CCn1ccnc1 ZINC000162308632 397778535 /nfs/dbraw/zinc/77/85/35/397778535.db2.gz YDWUGNOYAPPSJL-NSHDSACASA-N 2 1 225.361 1.711 20 0 BDADMP C[C@@H]([NH2+]CC(C)(F)F)C1CC[NH+](C)CC1 ZINC000382173777 397918000 /nfs/dbraw/zinc/91/80/00/397918000.db2.gz XFXMKRXXMDEKSM-SECBINFHSA-N 2 1 220.307 1.962 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000383179186 398009575 /nfs/dbraw/zinc/00/95/75/398009575.db2.gz JLMVAPSKXCBWIW-MELADBBJSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000383179186 398009578 /nfs/dbraw/zinc/00/95/78/398009578.db2.gz JLMVAPSKXCBWIW-MELADBBJSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000383179186 398009579 /nfs/dbraw/zinc/00/95/79/398009579.db2.gz JLMVAPSKXCBWIW-MELADBBJSA-N 2 1 240.391 1.562 20 0 BDADMP [NH3+]CCC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000414689247 398018653 /nfs/dbraw/zinc/01/86/53/398018653.db2.gz FOOOBUKQIDYHEM-OAHLLOKOSA-N 2 1 248.370 1.707 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414851176 398059517 /nfs/dbraw/zinc/05/95/17/398059517.db2.gz OURGNAWYFNNXMW-RFQIPJPRSA-N 3 1 239.407 1.352 20 0 BDADMP COCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000384408666 398088113 /nfs/dbraw/zinc/08/81/13/398088113.db2.gz IZAMDMGGPMYUDT-OAHLLOKOSA-N 2 1 248.370 1.745 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000414979624 398134251 /nfs/dbraw/zinc/13/42/51/398134251.db2.gz UUZGXIFDTKDPAD-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CCC[C@@H](C)O)CC1 ZINC000336650781 167094074 /nfs/dbraw/zinc/09/40/74/167094074.db2.gz HQXOOVSVVMCVEQ-GFCCVEGCSA-N 2 1 228.380 1.610 20 0 BDADMP COc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000259097590 322881872 /nfs/dbraw/zinc/88/18/72/322881872.db2.gz UMYPDMYYGKRODM-CYBMUJFWSA-N 2 1 234.343 1.927 20 0 BDADMP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CCC[NH3+] ZINC000020419992 487574808 /nfs/dbraw/zinc/57/48/08/487574808.db2.gz FPRILYNOONICHO-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CCC[NH3+] ZINC000020419992 487574810 /nfs/dbraw/zinc/57/48/10/487574810.db2.gz FPRILYNOONICHO-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CS1 ZINC000086935668 487593436 /nfs/dbraw/zinc/59/34/36/487593436.db2.gz QALNUVGOHTWSRJ-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000662265678 409563459 /nfs/dbraw/zinc/56/34/59/409563459.db2.gz HSRPSJNJHFLTGY-WPRPVWTQSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000662265678 409563466 /nfs/dbraw/zinc/56/34/66/409563466.db2.gz HSRPSJNJHFLTGY-WPRPVWTQSA-N 2 1 209.293 1.152 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[NH2+]CC1)C1CCCC1 ZINC000662241922 409529308 /nfs/dbraw/zinc/52/93/08/409529308.db2.gz YRQRQGIDPSIURE-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@H](C[N@H+]1CCC[NH2+]CC1)C1CCCC1 ZINC000662241922 409529310 /nfs/dbraw/zinc/52/93/10/409529310.db2.gz YRQRQGIDPSIURE-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000662244604 409535035 /nfs/dbraw/zinc/53/50/35/409535035.db2.gz DUHXQKKHOQFSOS-SECBINFHSA-N 2 1 237.351 1.106 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000662245206 409537945 /nfs/dbraw/zinc/53/79/45/409537945.db2.gz IUFBYQCEIWSFQB-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)C1CCC1 ZINC000662246066 409541398 /nfs/dbraw/zinc/54/13/98/409541398.db2.gz NSKKGOYRBFAHJM-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000662310194 409632477 /nfs/dbraw/zinc/63/24/77/409632477.db2.gz HPYROSCTNAMCAI-KBPBESRZSA-N 2 1 238.375 1.344 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](CCF)C1 ZINC000662311296 409634785 /nfs/dbraw/zinc/63/47/85/409634785.db2.gz RPLYFUBZLRIYNK-NSHDSACASA-N 2 1 218.316 1.033 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662270688 409575202 /nfs/dbraw/zinc/57/52/02/409575202.db2.gz CAUWONBMRWMYCK-GHMZBOCLSA-N 2 1 248.317 1.471 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000662272511 409577469 /nfs/dbraw/zinc/57/74/69/409577469.db2.gz GAHQEWYONCPMEA-LLVKDONJSA-N 2 1 209.293 1.154 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000662272511 409577478 /nfs/dbraw/zinc/57/74/78/409577478.db2.gz GAHQEWYONCPMEA-LLVKDONJSA-N 2 1 209.293 1.154 20 0 BDADMP Cn1c[nH+]cc1CCCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275332 409585967 /nfs/dbraw/zinc/58/59/67/409585967.db2.gz AMBIQGJOTJXRLC-OCCSQVGLSA-N 2 1 248.374 1.037 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662280790 409600335 /nfs/dbraw/zinc/60/03/35/409600335.db2.gz FVMJKPJWSHTHEC-KOLCDFICSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662280790 409600339 /nfs/dbraw/zinc/60/03/39/409600339.db2.gz FVMJKPJWSHTHEC-KOLCDFICSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000662283360 409610539 /nfs/dbraw/zinc/61/05/39/409610539.db2.gz MQKBPPKRMGNNOY-UMNHJUIQSA-N 2 1 237.347 1.788 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000662283360 409610545 /nfs/dbraw/zinc/61/05/45/409610545.db2.gz MQKBPPKRMGNNOY-UMNHJUIQSA-N 2 1 237.347 1.788 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000050952663 409932532 /nfs/dbraw/zinc/93/25/32/409932532.db2.gz CNFNVQLWTQCVTA-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000308887959 409934496 /nfs/dbraw/zinc/93/44/96/409934496.db2.gz XJQBCCNSIORPBS-NWDGAFQWSA-N 3 1 215.385 1.434 20 0 BDADMP CC(C)OCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000680542128 487613252 /nfs/dbraw/zinc/61/32/52/487613252.db2.gz BOFSOLLHVGETDU-UHFFFAOYSA-N 2 1 237.347 1.662 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336388479 410203005 /nfs/dbraw/zinc/20/30/05/410203005.db2.gz OMFQOEBLCBIBBB-AWEZNQCLSA-N 3 1 237.391 1.062 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CNc3ccccc3C2)CC1 ZINC000650716138 410353685 /nfs/dbraw/zinc/35/36/85/410353685.db2.gz SLWZOUSKETWSGK-CQSZACIVSA-N 2 1 245.370 1.707 20 0 BDADMP c1ccc2c(c1)CC[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1)N2 ZINC000650720821 410360429 /nfs/dbraw/zinc/36/04/29/410360429.db2.gz BZESCPSUOVUUAJ-UONOGXRCSA-N 2 1 245.370 1.755 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000650739829 410372012 /nfs/dbraw/zinc/37/20/12/410372012.db2.gz AAHTXQZDZMUMGM-ZIAGYGMSSA-N 2 1 241.423 1.681 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000650739829 410372020 /nfs/dbraw/zinc/37/20/20/410372020.db2.gz AAHTXQZDZMUMGM-ZIAGYGMSSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000650739829 410372026 /nfs/dbraw/zinc/37/20/26/410372026.db2.gz AAHTXQZDZMUMGM-ZIAGYGMSSA-N 3 1 241.423 1.681 20 0 BDADMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCCCN1 ZINC000650747709 410388012 /nfs/dbraw/zinc/38/80/12/410388012.db2.gz GDLIMMRQFMZSLK-NEPJUHHUSA-N 2 1 225.380 1.236 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000650756301 410401860 /nfs/dbraw/zinc/40/18/60/410401860.db2.gz YXKJWQCAYLSNFA-ZIAGYGMSSA-N 3 1 233.359 1.375 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc2c(c1)CCC2 ZINC000070063392 410457140 /nfs/dbraw/zinc/45/71/40/410457140.db2.gz HDMZHXVLNGFTDQ-UHFFFAOYSA-N 2 1 218.344 1.956 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000393862719 410764658 /nfs/dbraw/zinc/76/46/58/410764658.db2.gz KOBDQQQFVFBZOC-MJBXVCDLSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000393862719 410764662 /nfs/dbraw/zinc/76/46/62/410764662.db2.gz KOBDQQQFVFBZOC-MJBXVCDLSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000393862719 410764666 /nfs/dbraw/zinc/76/46/66/410764666.db2.gz KOBDQQQFVFBZOC-MJBXVCDLSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000309300776 410748572 /nfs/dbraw/zinc/74/85/72/410748572.db2.gz YFGNPWYWPGUZRD-FRRDWIJNSA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000309300776 410748576 /nfs/dbraw/zinc/74/85/76/410748576.db2.gz YFGNPWYWPGUZRD-FRRDWIJNSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000309300776 410748579 /nfs/dbraw/zinc/74/85/79/410748579.db2.gz YFGNPWYWPGUZRD-FRRDWIJNSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000309300776 410748582 /nfs/dbraw/zinc/74/85/82/410748582.db2.gz YFGNPWYWPGUZRD-FRRDWIJNSA-N 2 1 228.380 1.277 20 0 BDADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000665297813 410824435 /nfs/dbraw/zinc/82/44/35/410824435.db2.gz LZAFFJPLNYVOTE-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP Cc1cnccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000395390829 410849459 /nfs/dbraw/zinc/84/94/59/410849459.db2.gz WNTHGCFEZIBAQU-STQMWFEESA-N 2 1 217.316 1.041 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396452292 410884006 /nfs/dbraw/zinc/88/40/06/410884006.db2.gz VPMJKHZLSSISNS-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3(F)CC3)C[C@@H]21 ZINC000309420153 410941745 /nfs/dbraw/zinc/94/17/45/410941745.db2.gz XUMCPRMISLXCHB-GARJFASQSA-N 2 1 212.312 1.548 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000042424616 411003703 /nfs/dbraw/zinc/00/37/03/411003703.db2.gz MFRXAGZFLXCETM-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000300046063 411077587 /nfs/dbraw/zinc/07/75/87/411077587.db2.gz QWJFMBDKMPTJQX-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP COC[C@@H](C)C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865703 411147909 /nfs/dbraw/zinc/14/79/09/411147909.db2.gz FGFUIEYPEIOKQZ-ZDUSSCGKSA-N 2 1 230.396 1.836 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCOC1 ZINC000651865718 411148171 /nfs/dbraw/zinc/14/81/71/411148171.db2.gz FQQFBDAOBAEHHE-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401005393 411169043 /nfs/dbraw/zinc/16/90/43/411169043.db2.gz BMNFXPDMDCKPOW-RRFJBIMHSA-N 3 1 249.402 1.226 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2cccs2)C1 ZINC000401682207 411169972 /nfs/dbraw/zinc/16/99/72/411169972.db2.gz SRVNRDPIJYNXPO-WDEREUQCSA-N 2 1 224.373 1.878 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1COC(C)(C)C1 ZINC000660464388 411172057 /nfs/dbraw/zinc/17/20/57/411172057.db2.gz PAWDSLIAPRWNRR-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1COC(C)(C)C1 ZINC000660464388 411172065 /nfs/dbraw/zinc/17/20/65/411172065.db2.gz PAWDSLIAPRWNRR-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1[nH]ncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401115935 411177049 /nfs/dbraw/zinc/17/70/49/411177049.db2.gz IJGFHZPTHQASHW-NQBHXWOUSA-N 2 1 234.347 1.196 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000652286168 411188325 /nfs/dbraw/zinc/18/83/25/411188325.db2.gz OQKHXMUZEDKJMZ-BZPMIXESSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000652286168 411188328 /nfs/dbraw/zinc/18/83/28/411188328.db2.gz OQKHXMUZEDKJMZ-BZPMIXESSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@H](C)O)C1CC1 ZINC000653901925 411215902 /nfs/dbraw/zinc/21/59/02/411215902.db2.gz GQPFYEJTDAJSKY-NSHDSACASA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C[C@H](C)O)C1CC1 ZINC000653901925 411215904 /nfs/dbraw/zinc/21/59/04/411215904.db2.gz GQPFYEJTDAJSKY-NSHDSACASA-N 2 1 237.347 1.427 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360825 411217120 /nfs/dbraw/zinc/21/71/20/411217120.db2.gz RDHTZALBVBFYBW-YNEHKIRRSA-N 2 1 226.364 1.757 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000422883713 411233235 /nfs/dbraw/zinc/23/32/35/411233235.db2.gz VKTUNLYJJQJGOE-ZIAGYGMSSA-N 2 1 239.407 1.720 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422905645 411235273 /nfs/dbraw/zinc/23/52/73/411235273.db2.gz IMSZIKSIPWEXAY-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC12CCCC2 ZINC000653776607 411166232 /nfs/dbraw/zinc/16/62/32/411166232.db2.gz KSIRTLOOAYHAPD-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC12CCCC2 ZINC000653776607 411166237 /nfs/dbraw/zinc/16/62/37/411166237.db2.gz KSIRTLOOAYHAPD-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC12CCCC2 ZINC000653776607 411166239 /nfs/dbraw/zinc/16/62/39/411166239.db2.gz KSIRTLOOAYHAPD-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC12CCCC2 ZINC000653776607 411166243 /nfs/dbraw/zinc/16/62/43/411166243.db2.gz KSIRTLOOAYHAPD-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC(C)CCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000165270865 411167409 /nfs/dbraw/zinc/16/74/09/411167409.db2.gz OWDKQKKIKNWBFC-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CCC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000165270865 411167413 /nfs/dbraw/zinc/16/74/13/411167413.db2.gz OWDKQKKIKNWBFC-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000652522631 411265177 /nfs/dbraw/zinc/26/51/77/411265177.db2.gz QAKURNRJQAXIAS-LBPRGKRZSA-N 2 1 243.395 1.031 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCCn3ccnc32)CC[N@H+]1C ZINC000655715432 411270065 /nfs/dbraw/zinc/27/00/65/411270065.db2.gz KCEIAEBGPGPWIK-JHJVBQTASA-N 2 1 248.374 1.790 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000051889994 411284636 /nfs/dbraw/zinc/28/46/36/411284636.db2.gz ZTBPMYHYQOTFEG-CYBMUJFWSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH+](C)C1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000162508248 411298824 /nfs/dbraw/zinc/29/88/24/411298824.db2.gz KSNSISYCSUFLJW-AWEZNQCLSA-N 3 1 239.407 1.497 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000160073200 411309719 /nfs/dbraw/zinc/30/97/19/411309719.db2.gz RKOFEVNHNWYZGE-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000160073200 411309721 /nfs/dbraw/zinc/30/97/21/411309721.db2.gz RKOFEVNHNWYZGE-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701437 411325222 /nfs/dbraw/zinc/32/52/22/411325222.db2.gz XJIKJHSMIVAECJ-IHRRRGAJSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701437 411325223 /nfs/dbraw/zinc/32/52/23/411325223.db2.gz XJIKJHSMIVAECJ-IHRRRGAJSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701437 411325224 /nfs/dbraw/zinc/32/52/24/411325224.db2.gz XJIKJHSMIVAECJ-IHRRRGAJSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701437 411325225 /nfs/dbraw/zinc/32/52/25/411325225.db2.gz XJIKJHSMIVAECJ-IHRRRGAJSA-N 2 1 240.391 1.562 20 0 BDADMP NC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656785220 411357263 /nfs/dbraw/zinc/35/72/63/411357263.db2.gz FUEVSFDEDVMIML-HNNXBMFYSA-N 2 1 245.370 1.159 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656785220 411357267 /nfs/dbraw/zinc/35/72/67/411357267.db2.gz FUEVSFDEDVMIML-HNNXBMFYSA-N 3 1 245.370 1.159 20 0 BDADMP CC[C@@H]1C[N@H+](CCC[NH2+]C)[C@H](CC)CO1 ZINC000403869457 411363277 /nfs/dbraw/zinc/36/32/77/411363277.db2.gz YGZWWMVVMFAGSJ-VXGBXAGGSA-N 2 1 214.353 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH2+]C)[C@H](CC)CO1 ZINC000403869457 411363278 /nfs/dbraw/zinc/36/32/78/411363278.db2.gz YGZWWMVVMFAGSJ-VXGBXAGGSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1ncccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788630 411367879 /nfs/dbraw/zinc/36/78/79/411367879.db2.gz VVJBNUKIUSPYRD-UHFFFAOYSA-N 2 1 219.332 1.751 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccnc2)CCCC1 ZINC000656788416 411367995 /nfs/dbraw/zinc/36/79/95/411367995.db2.gz OLVMBUQPSGCHJE-UHFFFAOYSA-N 2 1 205.305 1.443 20 0 BDADMP CC[N@H+]1CC[C@H](NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000656789593 411369257 /nfs/dbraw/zinc/36/92/57/411369257.db2.gz RSXZCJCXHVYNSI-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP NC1(C[NH2+]C2CCC(C[NH3+])CC2)CCCC1 ZINC000656788800 411369503 /nfs/dbraw/zinc/36/95/03/411369503.db2.gz CQPGMDJHFDYQFK-UHFFFAOYSA-N 2 1 225.380 1.365 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC)[C@H](C)C1 ZINC000658330365 411338640 /nfs/dbraw/zinc/33/86/40/411338640.db2.gz CXUQZWGXELNXBP-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@]3(C)CC[NH2+]C3)C[C@@H]21 ZINC000261555109 168012183 /nfs/dbraw/zinc/01/21/83/168012183.db2.gz URZTWXFQMHGSRS-NTZNESFSSA-N 2 1 208.349 1.574 20 0 BDADMP CC1CCN(CC[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000129178042 168181687 /nfs/dbraw/zinc/18/16/87/168181687.db2.gz BZQDHNYLKQYHBU-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP CC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336686901 168182772 /nfs/dbraw/zinc/18/27/72/168182772.db2.gz WVRQNPCDHMXZTB-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP CC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336686901 168182774 /nfs/dbraw/zinc/18/27/74/168182774.db2.gz WVRQNPCDHMXZTB-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP CC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336686899 168183558 /nfs/dbraw/zinc/18/35/58/168183558.db2.gz WVRQNPCDHMXZTB-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP CC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336686899 168183563 /nfs/dbraw/zinc/18/35/63/168183563.db2.gz WVRQNPCDHMXZTB-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCF)[C@@H]1CC[NH3+] ZINC000404305403 411390031 /nfs/dbraw/zinc/39/00/31/411390031.db2.gz RUMMUZWIUMSQLP-WDEREUQCSA-N 2 1 202.317 1.795 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404309023 411390263 /nfs/dbraw/zinc/39/02/63/411390263.db2.gz JMNPKXJPFYBAKE-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404360399 411391441 /nfs/dbraw/zinc/39/14/41/411391441.db2.gz DYDWUVATLQFHTA-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cncs1)C2 ZINC000309435456 411383244 /nfs/dbraw/zinc/38/32/44/411383244.db2.gz KHDROPBNQLRRAH-JQWIXIFHSA-N 2 1 237.372 1.704 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cncs1)C2 ZINC000309435456 411383248 /nfs/dbraw/zinc/38/32/48/411383248.db2.gz KHDROPBNQLRRAH-JQWIXIFHSA-N 2 1 237.372 1.704 20 0 BDADMP COCCOCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404384934 411392279 /nfs/dbraw/zinc/39/22/79/411392279.db2.gz NWOVVTMSFZSPSD-QWHCGFSZSA-N 2 1 244.379 1.099 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1Cc2ccccc2[C@H]1C ZINC000653562821 411421922 /nfs/dbraw/zinc/42/19/22/411421922.db2.gz LEVCHFUJULKHPS-OCCSQVGLSA-N 2 1 248.370 1.876 20 0 BDADMP C[N@@H+](CCc1cnccn1)CC[C@@H]1CCC[NH+]1C ZINC000271398015 411429311 /nfs/dbraw/zinc/42/93/11/411429311.db2.gz WNDYKSUZTFYNGI-AWEZNQCLSA-N 2 1 248.374 1.435 20 0 BDADMP C[N@H+](CCc1cnccn1)CC[C@@H]1CCC[NH+]1C ZINC000271398015 411429317 /nfs/dbraw/zinc/42/93/17/411429317.db2.gz WNDYKSUZTFYNGI-AWEZNQCLSA-N 2 1 248.374 1.435 20 0 BDADMP C[NH+](CCc1cnccn1)CC[C@@H]1CCC[N@@H+]1C ZINC000271398015 411429321 /nfs/dbraw/zinc/42/93/21/411429321.db2.gz WNDYKSUZTFYNGI-AWEZNQCLSA-N 2 1 248.374 1.435 20 0 BDADMP C[NH+](CCc1cnccn1)CC[C@@H]1CCC[N@H+]1C ZINC000271398015 411429326 /nfs/dbraw/zinc/42/93/26/411429326.db2.gz WNDYKSUZTFYNGI-AWEZNQCLSA-N 2 1 248.374 1.435 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@H](C)C1 ZINC000653642424 411452606 /nfs/dbraw/zinc/45/26/06/411452606.db2.gz DEPCMSIYKVXBCS-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@H](C)C1 ZINC000653642424 411452609 /nfs/dbraw/zinc/45/26/09/411452609.db2.gz DEPCMSIYKVXBCS-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000653642424 411452611 /nfs/dbraw/zinc/45/26/11/411452611.db2.gz DEPCMSIYKVXBCS-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000653642424 411452614 /nfs/dbraw/zinc/45/26/14/411452614.db2.gz DEPCMSIYKVXBCS-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP Cc1c[nH]c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000657347458 411473715 /nfs/dbraw/zinc/47/37/15/411473715.db2.gz SIWXQBXDGHTVHD-JTQLQIEISA-N 2 1 247.346 1.649 20 0 BDADMP C[N@H+](CC1(F)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309477840 411497380 /nfs/dbraw/zinc/49/73/80/411497380.db2.gz CMESLDIHCGOHPU-ZACCUICWSA-N 2 1 212.312 1.703 20 0 BDADMP C[N@@H+](CC1(F)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309477840 411497381 /nfs/dbraw/zinc/49/73/81/411497381.db2.gz CMESLDIHCGOHPU-ZACCUICWSA-N 2 1 212.312 1.703 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000655818771 411526050 /nfs/dbraw/zinc/52/60/50/411526050.db2.gz UEPODBGEFWIPFY-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccncc2C)C1 ZINC000296226895 170007594 /nfs/dbraw/zinc/00/75/94/170007594.db2.gz CCKRUXKDIKBHTO-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000085590815 170007937 /nfs/dbraw/zinc/00/79/37/170007937.db2.gz UORDSATTXYUXBQ-ZDUSSCGKSA-N 2 1 221.348 1.457 20 0 BDADMP CC[N@H+]1CC[C@@H](CNC2CC[NH+](C)CC2)C1 ZINC000037484179 170008595 /nfs/dbraw/zinc/00/85/95/170008595.db2.gz RJRLWDIKSXCHEW-LBPRGKRZSA-N 3 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000037484179 170008597 /nfs/dbraw/zinc/00/85/97/170008597.db2.gz RJRLWDIKSXCHEW-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(O)(CC)CC)[C@@H](C)C1 ZINC000305103751 170012857 /nfs/dbraw/zinc/01/28/57/170012857.db2.gz CFGCAGZOQYCFBP-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336707055 170015297 /nfs/dbraw/zinc/01/52/97/170015297.db2.gz RPRVFHYHXXNLFY-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367596088 170016472 /nfs/dbraw/zinc/01/64/72/170016472.db2.gz DBDLQSPWQDWUHS-YPMHNXCESA-N 2 1 248.374 1.719 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(C)COC2)[C@@H](C)C1 ZINC000336714356 170019357 /nfs/dbraw/zinc/01/93/57/170019357.db2.gz TUEWRMYYWUDMMQ-STQMWFEESA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C)COC2)[C@@H](C)C1 ZINC000336714356 170019359 /nfs/dbraw/zinc/01/93/59/170019359.db2.gz TUEWRMYYWUDMMQ-STQMWFEESA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C)COC2)[C@@H](C)C1 ZINC000336714356 170019361 /nfs/dbraw/zinc/01/93/61/170019361.db2.gz TUEWRMYYWUDMMQ-STQMWFEESA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H](C)O)[C@H](C)C1 ZINC000336730884 170019615 /nfs/dbraw/zinc/01/96/15/170019615.db2.gz YJRUQKRNGZWRPV-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@@H](C)O)[C@H](C)C1 ZINC000336730884 170019616 /nfs/dbraw/zinc/01/96/16/170019616.db2.gz YJRUQKRNGZWRPV-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@@H](C)O)[C@H](C)C1 ZINC000336730884 170019617 /nfs/dbraw/zinc/01/96/17/170019617.db2.gz YJRUQKRNGZWRPV-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)OC)[C@H](C)C1 ZINC000122212412 170020210 /nfs/dbraw/zinc/02/02/10/170020210.db2.gz GHASHWZEUONMTI-NEPJUHHUSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(O)(CC)CC)[C@H](C)C1 ZINC000305103749 170021496 /nfs/dbraw/zinc/02/14/96/170021496.db2.gz CFGCAGZOQYCFBP-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)CC[NH+](C)C)C1 ZINC000309958783 170038971 /nfs/dbraw/zinc/03/89/71/170038971.db2.gz JYJUHKZTQMTMRO-RWMBFGLXSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)C([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000660213395 411553531 /nfs/dbraw/zinc/55/35/31/411553531.db2.gz SQUNTHXQZADFSF-CYBMUJFWSA-N 2 1 244.423 1.958 20 0 BDADMP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000227082875 170250386 /nfs/dbraw/zinc/25/03/86/170250386.db2.gz BITQYMXXLXTMAY-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP CCOCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123790162 170371236 /nfs/dbraw/zinc/37/12/36/170371236.db2.gz KWZIVJMCOWMPBL-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123790162 170371238 /nfs/dbraw/zinc/37/12/38/170371238.db2.gz KWZIVJMCOWMPBL-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123790162 170371239 /nfs/dbraw/zinc/37/12/39/170371239.db2.gz KWZIVJMCOWMPBL-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123790162 170371241 /nfs/dbraw/zinc/37/12/41/170371241.db2.gz KWZIVJMCOWMPBL-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345873 411633878 /nfs/dbraw/zinc/63/38/78/411633878.db2.gz NDQPFBGKYNVRGH-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657842015 411610040 /nfs/dbraw/zinc/61/00/40/411610040.db2.gz SHWPLYKPDVQJAR-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657845699 411611512 /nfs/dbraw/zinc/61/15/12/411611512.db2.gz OMAFLFGRPSWOAT-CYBMUJFWSA-N 2 1 249.358 1.883 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCOC1)C2 ZINC000660654867 411613037 /nfs/dbraw/zinc/61/30/37/411613037.db2.gz IQVSKNNCYPUUMY-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCOC1)C2 ZINC000660654867 411613039 /nfs/dbraw/zinc/61/30/39/411613039.db2.gz IQVSKNNCYPUUMY-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000660654867 411613040 /nfs/dbraw/zinc/61/30/40/411613040.db2.gz IQVSKNNCYPUUMY-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659191 411614239 /nfs/dbraw/zinc/61/42/39/411614239.db2.gz NLYSBKXYQBSYSD-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659191 411614241 /nfs/dbraw/zinc/61/42/41/411614241.db2.gz NLYSBKXYQBSYSD-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659191 411614242 /nfs/dbraw/zinc/61/42/42/411614242.db2.gz NLYSBKXYQBSYSD-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660663665 411615685 /nfs/dbraw/zinc/61/56/85/411615685.db2.gz OUCXPZJPQSKLDH-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000660663665 411615687 /nfs/dbraw/zinc/61/56/87/411615687.db2.gz OUCXPZJPQSKLDH-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000660663665 411615688 /nfs/dbraw/zinc/61/56/88/411615688.db2.gz OUCXPZJPQSKLDH-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000663661155 411716107 /nfs/dbraw/zinc/71/61/07/411716107.db2.gz OHZZNABBZZRMEI-DGCLKSJQSA-N 2 1 249.358 1.777 20 0 BDADMP Cc1cc(CO)cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000663661155 411716109 /nfs/dbraw/zinc/71/61/09/411716109.db2.gz OHZZNABBZZRMEI-DGCLKSJQSA-N 2 1 249.358 1.777 20 0 BDADMP Cc1cccc(NCCC[NH+]2CCC(O)CC2)[nH+]1 ZINC000663403664 411649713 /nfs/dbraw/zinc/64/97/13/411649713.db2.gz YDTOCYSHJYTEAQ-UHFFFAOYSA-N 2 1 249.358 1.649 20 0 BDADMP C[C@H]([NH3+])c1ccc(CNC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000663495580 411674365 /nfs/dbraw/zinc/67/43/65/411674365.db2.gz ZKDAUEJJCSOFNL-CQDKDKBSSA-N 2 1 245.370 1.405 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC1CCOCC1 ZINC000663512093 411694705 /nfs/dbraw/zinc/69/47/05/411694705.db2.gz FHYDBRYJKDZTPR-MNOVXSKESA-N 2 1 214.353 1.389 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000664719744 412014453 /nfs/dbraw/zinc/01/44/53/412014453.db2.gz XIBFCXCAAVQYNY-MNOVXSKESA-N 2 1 243.395 1.206 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662034516 411953923 /nfs/dbraw/zinc/95/39/23/411953923.db2.gz NPRIXJHNLGYKKI-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662034516 411953926 /nfs/dbraw/zinc/95/39/26/411953926.db2.gz NPRIXJHNLGYKKI-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662034516 411953930 /nfs/dbraw/zinc/95/39/30/411953930.db2.gz NPRIXJHNLGYKKI-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037884 411956382 /nfs/dbraw/zinc/95/63/82/411956382.db2.gz XLMIJCYDBNFOMB-KGLIPLIRSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037884 411956388 /nfs/dbraw/zinc/95/63/88/411956388.db2.gz XLMIJCYDBNFOMB-KGLIPLIRSA-N 2 1 249.358 1.550 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000662236143 412034968 /nfs/dbraw/zinc/03/49/68/412034968.db2.gz DADKHVNSTSXLIT-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](OC)C1CCC1 ZINC000662244597 412041613 /nfs/dbraw/zinc/04/16/13/412041613.db2.gz IUJPHDJZDMXBCW-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](OC)C1CCC1 ZINC000662244597 412041616 /nfs/dbraw/zinc/04/16/16/412041616.db2.gz IUJPHDJZDMXBCW-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249659 412047170 /nfs/dbraw/zinc/04/71/70/412047170.db2.gz RQUZQZVPCSJBKC-OLZOCXBDSA-N 2 1 238.375 1.772 20 0 BDADMP CCCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662252233 412050164 /nfs/dbraw/zinc/05/01/64/412050164.db2.gz MXNKWVQXAIOFQN-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000136184954 171037786 /nfs/dbraw/zinc/03/77/86/171037786.db2.gz AMILAOBJIQSWRT-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662267394 412061326 /nfs/dbraw/zinc/06/13/26/412061326.db2.gz VCWJCAYWXJFPSF-JQWIXIFHSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000662267394 412061329 /nfs/dbraw/zinc/06/13/29/412061329.db2.gz VCWJCAYWXJFPSF-JQWIXIFHSA-N 2 1 234.347 1.263 20 0 BDADMP CO[C@H](C[N@@H+]1CCNC[C@@](C)(F)C1)C1CCC1 ZINC000662272263 412063920 /nfs/dbraw/zinc/06/39/20/412063920.db2.gz DJWUKAZFUCROPA-CHWSQXEVSA-N 2 1 244.354 1.435 20 0 BDADMP CO[C@H](C[N@H+]1CCNC[C@@](C)(F)C1)C1CCC1 ZINC000662272263 412063923 /nfs/dbraw/zinc/06/39/23/412063923.db2.gz DJWUKAZFUCROPA-CHWSQXEVSA-N 2 1 244.354 1.435 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889607 171110760 /nfs/dbraw/zinc/11/07/60/171110760.db2.gz AVHDGDZCKLTXJA-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889607 171110762 /nfs/dbraw/zinc/11/07/62/171110762.db2.gz AVHDGDZCKLTXJA-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000346083263 171119669 /nfs/dbraw/zinc/11/96/69/171119669.db2.gz QSUKYNCTVXFONZ-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305749595 171126436 /nfs/dbraw/zinc/12/64/36/171126436.db2.gz XPHYRCVKTQBSTD-AAVRWANBSA-N 2 1 242.407 1.713 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCC1 ZINC000662277834 412069487 /nfs/dbraw/zinc/06/94/87/412069487.db2.gz XTEQCWCKVWLWOU-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCC1 ZINC000662277834 412069490 /nfs/dbraw/zinc/06/94/90/412069490.db2.gz XTEQCWCKVWLWOU-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662279059 412071135 /nfs/dbraw/zinc/07/11/35/412071135.db2.gz FKGDUHNVEMCOHB-GFCCVEGCSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000662278509 412071403 /nfs/dbraw/zinc/07/14/03/412071403.db2.gz YWRPXQMHVBJHHS-DBIOUOCHSA-N 2 1 248.317 1.387 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCCC1(C)C ZINC000662278639 412071586 /nfs/dbraw/zinc/07/15/86/412071586.db2.gz ZTWNGSRGRHBUMG-NEPJUHHUSA-N 2 1 228.380 1.454 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336258004 171179678 /nfs/dbraw/zinc/17/96/78/171179678.db2.gz QBGSMDOCVARVQH-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336258004 171179681 /nfs/dbraw/zinc/17/96/81/171179681.db2.gz QBGSMDOCVARVQH-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336258004 171179682 /nfs/dbraw/zinc/17/96/82/171179682.db2.gz QBGSMDOCVARVQH-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1cc(C)cc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662285690 412077854 /nfs/dbraw/zinc/07/78/54/412077854.db2.gz NQXCETDAQYJEKN-UHFFFAOYSA-N 2 1 248.370 1.508 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ncn1 ZINC000662282033 412072729 /nfs/dbraw/zinc/07/27/29/412072729.db2.gz BBDBHWYCCMOLDI-WXHSDQCUSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ncn1 ZINC000662282033 412072731 /nfs/dbraw/zinc/07/27/31/412072731.db2.gz BBDBHWYCCMOLDI-WXHSDQCUSA-N 2 1 248.374 1.590 20 0 BDADMP CC1([NH3+])CC[NH+](Cc2cccnc2)CC1 ZINC000220148156 412073847 /nfs/dbraw/zinc/07/38/47/412073847.db2.gz HJWRUCUOYFQUGO-UHFFFAOYSA-N 2 1 205.305 1.395 20 0 BDADMP Cc1ccc(C)c(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662286085 412077732 /nfs/dbraw/zinc/07/77/32/412077732.db2.gz ULHPOEVWFGTZOJ-UHFFFAOYSA-N 2 1 248.370 1.508 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000662282867 412075886 /nfs/dbraw/zinc/07/58/86/412075886.db2.gz YHLQRPNNULRCEH-RNJOBUHISA-N 2 1 224.348 1.082 20 0 BDADMP OCC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662299428 412086520 /nfs/dbraw/zinc/08/65/20/412086520.db2.gz PNVFHRKASWUYNT-KGLIPLIRSA-N 2 1 240.391 1.613 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000662298565 412087145 /nfs/dbraw/zinc/08/71/45/412087145.db2.gz NRTDZEHXDVLNCH-AVGNSLFASA-N 2 1 224.348 1.239 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000662302127 412088421 /nfs/dbraw/zinc/08/84/21/412088421.db2.gz XDLLNMGCYXPBHG-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCc1ccncc1 ZINC000662304797 412090914 /nfs/dbraw/zinc/09/09/14/412090914.db2.gz BUFIIVVDYAMTLI-UHFFFAOYSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CCCc1ccncc1 ZINC000662304797 412090920 /nfs/dbraw/zinc/09/09/20/412090920.db2.gz BUFIIVVDYAMTLI-UHFFFAOYSA-N 2 1 231.343 1.437 20 0 BDADMP CO[C@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C1CCC1 ZINC000662307208 412093286 /nfs/dbraw/zinc/09/32/86/412093286.db2.gz WXBRYBQECHVPIE-YXMLORGKSA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H](C[N@H+]1CC2CC1(C[NH3+])C2)C1CCC1 ZINC000662307208 412093290 /nfs/dbraw/zinc/09/32/90/412093290.db2.gz WXBRYBQECHVPIE-YXMLORGKSA-N 2 1 224.348 1.225 20 0 BDADMP FCC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000662312186 412094592 /nfs/dbraw/zinc/09/45/92/412094592.db2.gz XAZLQCWLYBTLIF-NEPJUHHUSA-N 2 1 214.328 1.668 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCCOC2)[C@@H]1CC[NH2+]C1 ZINC000662315957 412095910 /nfs/dbraw/zinc/09/59/10/412095910.db2.gz RJFVQDHLFUJZJK-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000662316033 412096342 /nfs/dbraw/zinc/09/63/42/412096342.db2.gz VOKAIXKIUSWQCU-YNEHKIRRSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000662318274 412098918 /nfs/dbraw/zinc/09/89/18/412098918.db2.gz XNLUBENJFRPGGD-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)C1CC[NH2+]CC1 ZINC000662317421 412099205 /nfs/dbraw/zinc/09/92/05/412099205.db2.gz OVJQMGNGAFCAOC-ZIAGYGMSSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@]1(C(F)F)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000662336491 412107134 /nfs/dbraw/zinc/10/71/34/412107134.db2.gz YBTBAVBPECEQPT-PWSUYJOCSA-N 2 1 248.317 1.342 20 0 BDADMP CC(C)(N)c1noc(CN2CC3CC2(C)C3)n1 ZINC000662338468 412108610 /nfs/dbraw/zinc/10/86/10/412108610.db2.gz RVQZJLNSCKYPBU-UHFFFAOYSA-N 2 1 236.319 1.248 20 0 BDADMP Cc1ccncc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000665239696 412180702 /nfs/dbraw/zinc/18/07/02/412180702.db2.gz XQWOSQRNGBUNTB-OCCSQVGLSA-N 2 1 233.359 1.520 20 0 BDADMP CO[C@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000665245619 412189851 /nfs/dbraw/zinc/18/98/51/412189851.db2.gz NRBDZOUJPRQUOB-RKDXNWHRSA-N 2 1 209.293 1.180 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)c1ccccn1)[C@H]1CCC[NH2+]1 ZINC000665232456 412170467 /nfs/dbraw/zinc/17/04/67/412170467.db2.gz NCNVUKMVSIXTQA-OUCADQQQSA-N 2 1 233.359 1.915 20 0 BDADMP CC[C@@H]([NH2+]CCc1cncc(C)n1)[C@@H]1CCC[NH2+]1 ZINC000665274872 412216681 /nfs/dbraw/zinc/21/66/81/412216681.db2.gz ZVESPKKDERLLRJ-KGLIPLIRSA-N 2 1 248.374 1.448 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000665276104 412216881 /nfs/dbraw/zinc/21/68/81/412216881.db2.gz YLLVSYYIUMVANU-XBFCOCLRSA-N 2 1 240.391 1.922 20 0 BDADMP Cc1cncc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000665274105 412217924 /nfs/dbraw/zinc/21/79/24/412217924.db2.gz JYVGDIATXGDXRF-WCQYABFASA-N 2 1 234.347 1.058 20 0 BDADMP C[N@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@@H]2CCC[C@H]21 ZINC000665279625 412223079 /nfs/dbraw/zinc/22/30/79/412223079.db2.gz HNFNXGLDEPXQDN-QFSHSQKFSA-N 2 1 249.402 1.201 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccco1 ZINC000665283335 412229121 /nfs/dbraw/zinc/22/91/21/412229121.db2.gz MCBFCKNWAFAYSZ-AAEUAGOBSA-N 2 1 222.332 1.800 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000662621520 412244542 /nfs/dbraw/zinc/24/45/42/412244542.db2.gz ITYKAYVIDMXABB-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000665298356 412246025 /nfs/dbraw/zinc/24/60/25/412246025.db2.gz VGQKXKVZKIROTG-SRVKXCTJSA-N 2 1 228.380 1.776 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133034604 412392260 /nfs/dbraw/zinc/39/22/60/412392260.db2.gz QYADTXJATSSEKQ-OAHLLOKOSA-N 2 1 248.370 1.610 20 0 BDADMP CCc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000663276601 412406519 /nfs/dbraw/zinc/40/65/19/412406519.db2.gz FAEREFOSRPUXEW-GHMZBOCLSA-N 2 1 238.310 1.223 20 0 BDADMP CCn1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000231465065 172163555 /nfs/dbraw/zinc/16/35/55/172163555.db2.gz OJSIZYVVIGAGHN-CYBMUJFWSA-N 2 1 236.363 1.477 20 0 BDADMP CCn1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000231465065 172163557 /nfs/dbraw/zinc/16/35/57/172163557.db2.gz OJSIZYVVIGAGHN-CYBMUJFWSA-N 2 1 236.363 1.477 20 0 BDADMP CCn1cc(C[NH2+]CCCn2cc[nH+]c2C)cn1 ZINC000264927799 172170709 /nfs/dbraw/zinc/17/07/09/172170709.db2.gz OCGAUMSXHARKBC-UHFFFAOYSA-N 2 1 247.346 1.588 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000276207872 172195915 /nfs/dbraw/zinc/19/59/15/172195915.db2.gz AMYNMSCVAABKJJ-NSHDSACASA-N 2 1 247.346 1.530 20 0 BDADMP CCn1nccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000160235317 172265762 /nfs/dbraw/zinc/26/57/62/172265762.db2.gz OGCLUBCJDARIRU-LBPRGKRZSA-N 2 1 236.363 1.464 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368333752 173008699 /nfs/dbraw/zinc/00/86/99/173008699.db2.gz GQZSKECUUFHUOD-IGQOVBAYSA-N 2 1 238.375 1.031 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368333752 173008702 /nfs/dbraw/zinc/00/87/02/173008702.db2.gz GQZSKECUUFHUOD-IGQOVBAYSA-N 2 1 238.375 1.031 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368333752 173008704 /nfs/dbraw/zinc/00/87/04/173008704.db2.gz GQZSKECUUFHUOD-IGQOVBAYSA-N 2 1 238.375 1.031 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]12CCOC2 ZINC000341977903 173028110 /nfs/dbraw/zinc/02/81/10/173028110.db2.gz WRFVLKWOLIHLJA-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@]12CCOC2 ZINC000341977903 173028112 /nfs/dbraw/zinc/02/81/12/173028112.db2.gz WRFVLKWOLIHLJA-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@]12CCOC2 ZINC000341977903 173028113 /nfs/dbraw/zinc/02/81/13/173028113.db2.gz WRFVLKWOLIHLJA-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061589312 173042277 /nfs/dbraw/zinc/04/22/77/173042277.db2.gz BMWVBTQUBNVMLF-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(C2CC2)C1 ZINC000370085601 173054034 /nfs/dbraw/zinc/05/40/34/173054034.db2.gz WJSCDZYDKCGXHS-UONOGXRCSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000370085601 173054035 /nfs/dbraw/zinc/05/40/35/173054035.db2.gz WJSCDZYDKCGXHS-UONOGXRCSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000370085601 173054038 /nfs/dbraw/zinc/05/40/38/173054038.db2.gz WJSCDZYDKCGXHS-UONOGXRCSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]CCCO)C[C@@H]1c1ccccc1 ZINC000340169148 173123581 /nfs/dbraw/zinc/12/35/81/173123581.db2.gz ZRAYWYVAZCAVTA-HUUCEWRRSA-N 2 1 248.370 1.794 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCCO)C[C@@H]1c1ccccc1 ZINC000340169148 173123583 /nfs/dbraw/zinc/12/35/83/173123583.db2.gz ZRAYWYVAZCAVTA-HUUCEWRRSA-N 2 1 248.370 1.794 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000335569841 173138035 /nfs/dbraw/zinc/13/80/35/173138035.db2.gz IOHFXJDGNWSXFE-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000335569841 173138036 /nfs/dbraw/zinc/13/80/36/173138036.db2.gz IOHFXJDGNWSXFE-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)C(C)(C)C)C2)C1 ZINC000335569841 173138038 /nfs/dbraw/zinc/13/80/38/173138038.db2.gz IOHFXJDGNWSXFE-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000368606788 173151734 /nfs/dbraw/zinc/15/17/34/173151734.db2.gz FVVPJHFFGTVOPR-KKUMJFAQSA-N 2 1 247.386 1.988 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367616169 173152367 /nfs/dbraw/zinc/15/23/67/173152367.db2.gz LJMKKGUEXORFJX-HZSPNIEDSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@@H]2CCC[C@H]21 ZINC000368616484 173153430 /nfs/dbraw/zinc/15/34/30/173153430.db2.gz SZRJXOICMFQJPW-RWMBFGLXSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCF)[C@@H]2CCC[C@H]21 ZINC000308909991 173153478 /nfs/dbraw/zinc/15/34/78/173153478.db2.gz DMGXKJKLFMDVGG-SDDRHHMPSA-N 2 1 214.328 1.808 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)[C@H]2CCC[C@@H]21 ZINC000336775590 173155036 /nfs/dbraw/zinc/15/50/36/173155036.db2.gz ZKQQUFCFLZAYPA-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP C[NH2+]C1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000336409344 173323249 /nfs/dbraw/zinc/32/32/49/173323249.db2.gz PJHAAFBEKOMPLF-UHFFFAOYSA-N 2 1 244.342 1.747 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000077372740 173346417 /nfs/dbraw/zinc/34/64/17/173346417.db2.gz XYJVOCXZKVFKRL-UHFFFAOYSA-N 2 1 236.315 1.457 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000077372740 173346419 /nfs/dbraw/zinc/34/64/19/173346419.db2.gz XYJVOCXZKVFKRL-UHFFFAOYSA-N 2 1 236.315 1.457 20 0 BDADMP C[NH2+]CCC[N@@H+](CCCO)CC(C)(C)C ZINC000336664644 173346746 /nfs/dbraw/zinc/34/67/46/173346746.db2.gz DXNAFFUQCNQRKI-UHFFFAOYSA-N 2 1 216.369 1.326 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccccc1OC(F)F ZINC000083372581 173349749 /nfs/dbraw/zinc/34/97/49/173349749.db2.gz NAGGGNCBILBAEC-UHFFFAOYSA-N 2 1 244.285 1.987 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070914066 173367622 /nfs/dbraw/zinc/36/76/22/173367622.db2.gz HMUJIPYSVHHPMP-VIFPVBQESA-N 2 1 224.270 1.870 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070914066 173367623 /nfs/dbraw/zinc/36/76/23/173367623.db2.gz HMUJIPYSVHHPMP-VIFPVBQESA-N 2 1 224.270 1.870 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCCOC ZINC000336712264 173369339 /nfs/dbraw/zinc/36/93/39/173369339.db2.gz SQVNSHBANOWFID-LBPRGKRZSA-N 2 1 214.353 1.487 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCCOC ZINC000336712264 173369341 /nfs/dbraw/zinc/36/93/41/173369341.db2.gz SQVNSHBANOWFID-LBPRGKRZSA-N 2 1 214.353 1.487 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000251278747 173370376 /nfs/dbraw/zinc/37/03/76/173370376.db2.gz QPJZETUXYTXIAM-NEPJUHHUSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000251278747 173370378 /nfs/dbraw/zinc/37/03/78/173370378.db2.gz QPJZETUXYTXIAM-NEPJUHHUSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000053013059 173370470 /nfs/dbraw/zinc/37/04/70/173370470.db2.gz PLHFIKUJIFYWKQ-LBPRGKRZSA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000053013059 173370472 /nfs/dbraw/zinc/37/04/72/173370472.db2.gz PLHFIKUJIFYWKQ-LBPRGKRZSA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000063153045 173370547 /nfs/dbraw/zinc/37/05/47/173370547.db2.gz SAVPORUFMGVYHO-JTQLQIEISA-N 2 1 210.346 1.789 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000063153045 173370549 /nfs/dbraw/zinc/37/05/49/173370549.db2.gz SAVPORUFMGVYHO-JTQLQIEISA-N 2 1 210.346 1.789 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000071142434 173370908 /nfs/dbraw/zinc/37/09/08/173370908.db2.gz USUCJBDMRGIWSJ-ZDUSSCGKSA-N 2 1 246.354 1.663 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000053030936 173370958 /nfs/dbraw/zinc/37/09/58/173370958.db2.gz JOLSFSOSHYGCQN-JTQLQIEISA-N 2 1 210.346 1.789 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000071142434 173370910 /nfs/dbraw/zinc/37/09/10/173370910.db2.gz USUCJBDMRGIWSJ-ZDUSSCGKSA-N 2 1 246.354 1.663 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000053031496 173371027 /nfs/dbraw/zinc/37/10/27/173371027.db2.gz HOHHZRUNQQYCAA-ZDUSSCGKSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000053031496 173371029 /nfs/dbraw/zinc/37/10/29/173371029.db2.gz HOHHZRUNQQYCAA-ZDUSSCGKSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250744778 173379177 /nfs/dbraw/zinc/37/91/77/173379177.db2.gz NQYSYHOCEJEYKG-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCCOC ZINC000336712262 173379779 /nfs/dbraw/zinc/37/97/79/173379779.db2.gz SQVNSHBANOWFID-GFCCVEGCSA-N 2 1 214.353 1.487 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCCOC ZINC000336712262 173379780 /nfs/dbraw/zinc/37/97/80/173379780.db2.gz SQVNSHBANOWFID-GFCCVEGCSA-N 2 1 214.353 1.487 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000071142437 173381448 /nfs/dbraw/zinc/38/14/48/173381448.db2.gz USUCJBDMRGIWSJ-CYBMUJFWSA-N 2 1 246.354 1.663 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000071142437 173381449 /nfs/dbraw/zinc/38/14/49/173381449.db2.gz USUCJBDMRGIWSJ-CYBMUJFWSA-N 2 1 246.354 1.663 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@]2(C)CCCO2)C1 ZINC000401643067 487627944 /nfs/dbraw/zinc/62/79/44/487627944.db2.gz JGKQCTPFIVQNJN-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP COC1CCC([N@@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC000226438417 174021217 /nfs/dbraw/zinc/02/12/17/174021217.db2.gz IHHUTFQFFXOWLU-HSBZDZAISA-N 2 1 240.391 1.875 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000261528387 174074187 /nfs/dbraw/zinc/07/41/87/174074187.db2.gz LEEJGFDHUZAASU-SNVBAGLBSA-N 2 1 200.326 1.001 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342080671 174179798 /nfs/dbraw/zinc/17/97/98/174179798.db2.gz GVIMLHGYJCDIPD-BFHYXJOUSA-N 2 1 240.391 1.862 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336672933 174194270 /nfs/dbraw/zinc/19/42/70/174194270.db2.gz GRIZIJMPAYCSHL-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP COCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336677462 174215387 /nfs/dbraw/zinc/21/53/87/174215387.db2.gz NZTINKDMTFYSRB-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP COCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108371775 174227611 /nfs/dbraw/zinc/22/76/11/174227611.db2.gz JQPIGDIRTDTHKP-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336772053 174263836 /nfs/dbraw/zinc/26/38/36/174263836.db2.gz VBRBIDSSSSWJTI-RWMBFGLXSA-N 2 1 228.380 1.874 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336772053 174263837 /nfs/dbraw/zinc/26/38/37/174263837.db2.gz VBRBIDSSSSWJTI-RWMBFGLXSA-N 2 1 228.380 1.874 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1C ZINC000309036354 174276234 /nfs/dbraw/zinc/27/62/34/174276234.db2.gz IJUQWDSEHOUDRV-NWDGAFQWSA-N 2 1 214.353 1.200 20 0 BDADMP COCC[N@@H+](CC(C)C)CC(C)(C)[NH3+] ZINC000042370837 174286835 /nfs/dbraw/zinc/28/68/35/174286835.db2.gz AWVFSPNBGFOKFY-UHFFFAOYSA-N 2 1 202.342 1.328 20 0 BDADMP COCC[N@@H+](CC(C)C)CC1CC[NH2+]CC1 ZINC000042370817 174287138 /nfs/dbraw/zinc/28/71/38/174287138.db2.gz NBKLZDBHWUZHHQ-UHFFFAOYSA-N 2 1 228.380 1.590 20 0 BDADMP COCCOCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365381549 174352987 /nfs/dbraw/zinc/35/29/87/174352987.db2.gz UIQWVIWTCMRDFN-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COCCOCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365381549 174352989 /nfs/dbraw/zinc/35/29/89/174352989.db2.gz UIQWVIWTCMRDFN-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000401641493 487629031 /nfs/dbraw/zinc/62/90/31/487629031.db2.gz HYXIGUYALPHDHE-SDDRHHMPSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383493359 487629935 /nfs/dbraw/zinc/62/99/35/487629935.db2.gz BGSJGYONQXGKRT-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000383493359 487629939 /nfs/dbraw/zinc/62/99/39/487629939.db2.gz BGSJGYONQXGKRT-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383493359 487629943 /nfs/dbraw/zinc/62/99/43/487629943.db2.gz BGSJGYONQXGKRT-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000222997452 176030074 /nfs/dbraw/zinc/03/00/74/176030074.db2.gz WRWVQBTZIYZCHS-QWRGUYRKSA-N 2 1 205.305 1.423 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000369846496 176055455 /nfs/dbraw/zinc/05/54/55/176055455.db2.gz NJEDSKGMVDIPJK-IJLUTSLNSA-N 2 1 249.358 1.744 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000310334049 176099347 /nfs/dbraw/zinc/09/93/47/176099347.db2.gz KVIKTHGXIAHKER-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000310334049 176099349 /nfs/dbraw/zinc/09/93/49/176099349.db2.gz KVIKTHGXIAHKER-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000310334049 176099350 /nfs/dbraw/zinc/09/93/50/176099350.db2.gz KVIKTHGXIAHKER-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000310334049 176099353 /nfs/dbraw/zinc/09/93/53/176099353.db2.gz KVIKTHGXIAHKER-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358174163 176118605 /nfs/dbraw/zinc/11/86/05/176118605.db2.gz XNPZUJGOTBEZKV-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358174163 176118606 /nfs/dbraw/zinc/11/86/06/176118606.db2.gz XNPZUJGOTBEZKV-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[C@@H](CO)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336709011 176119849 /nfs/dbraw/zinc/11/98/49/176119849.db2.gz PKLZOUKFYBAADW-MCIONIFRSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@@H](CO)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336709011 176119851 /nfs/dbraw/zinc/11/98/51/176119851.db2.gz PKLZOUKFYBAADW-MCIONIFRSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@@H](CO)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336709011 176119853 /nfs/dbraw/zinc/11/98/53/176119853.db2.gz PKLZOUKFYBAADW-MCIONIFRSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000336674717 176172667 /nfs/dbraw/zinc/17/26/67/176172667.db2.gz BYISUMQCFZSCAH-DYEKYZERSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000336674717 176172668 /nfs/dbraw/zinc/17/26/68/176172668.db2.gz BYISUMQCFZSCAH-DYEKYZERSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1C ZINC000336674717 176172671 /nfs/dbraw/zinc/17/26/71/176172671.db2.gz BYISUMQCFZSCAH-DYEKYZERSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1C ZINC000336674717 176172673 /nfs/dbraw/zinc/17/26/73/176172673.db2.gz BYISUMQCFZSCAH-DYEKYZERSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccco1 ZINC000335024439 176185416 /nfs/dbraw/zinc/18/54/16/176185416.db2.gz NIXDTSJVHNSWCW-ZYHUDNBSSA-N 2 1 208.305 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+](C)CCC[NH+]2CCCC2)O1 ZINC000337217562 176224286 /nfs/dbraw/zinc/22/42/86/176224286.db2.gz INRBZFHGWUCPQU-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)CCC[NH+]2CCCC2)O1 ZINC000337217562 176224287 /nfs/dbraw/zinc/22/42/87/176224287.db2.gz INRBZFHGWUCPQU-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@H](C)C1 ZINC000358254003 176233638 /nfs/dbraw/zinc/23/36/38/176233638.db2.gz PIQHBSDJIYFQPZ-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@H](C)C1 ZINC000358254003 176233641 /nfs/dbraw/zinc/23/36/41/176233641.db2.gz PIQHBSDJIYFQPZ-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CN(C)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000235472935 176266723 /nfs/dbraw/zinc/26/67/23/176266723.db2.gz RXNCCEYZWMKPIZ-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000122121582 176269624 /nfs/dbraw/zinc/26/96/24/176269624.db2.gz QVUQVTGUCCZOPM-NEPJUHHUSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000336781019 176270333 /nfs/dbraw/zinc/27/03/33/176270333.db2.gz SZLIKELGLHQLOS-VXGBXAGGSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCCC[NH+]1CCCC1 ZINC000336775794 176272649 /nfs/dbraw/zinc/27/26/49/176272649.db2.gz CSFAFHIOJIJHDV-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000336775794 176272651 /nfs/dbraw/zinc/27/26/51/176272651.db2.gz CSFAFHIOJIJHDV-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC(C)(C)[NH+](C)C ZINC000036908111 176278201 /nfs/dbraw/zinc/27/82/01/176278201.db2.gz DZOSUHWCFLDIIK-UPJWGTAASA-N 2 1 241.423 1.645 20 0 BDADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000038087813 176278234 /nfs/dbraw/zinc/27/82/34/176278234.db2.gz XMVYJXFRDBCHPA-FDYHWXHSSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)C ZINC000038087813 176278236 /nfs/dbraw/zinc/27/82/36/176278236.db2.gz XMVYJXFRDBCHPA-FDYHWXHSSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)C ZINC000038087813 176278237 /nfs/dbraw/zinc/27/82/37/176278237.db2.gz XMVYJXFRDBCHPA-FDYHWXHSSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000353653497 176278326 /nfs/dbraw/zinc/27/83/26/176278326.db2.gz CTMGSVVXPOTIMW-NQBHXWOUSA-N 2 1 236.363 1.271 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)O ZINC000083461203 176278826 /nfs/dbraw/zinc/27/88/26/176278826.db2.gz BJXZTTMCGWJRHH-MXWKQRLJSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1 ZINC000036908247 176279654 /nfs/dbraw/zinc/27/96/54/176279654.db2.gz JUDJIKLDQGSGHR-YRGRVCCFSA-N 2 1 233.359 1.900 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1 ZINC000036908247 176279655 /nfs/dbraw/zinc/27/96/55/176279655.db2.gz JUDJIKLDQGSGHR-YRGRVCCFSA-N 2 1 233.359 1.900 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000336701914 176280317 /nfs/dbraw/zinc/28/03/17/176280317.db2.gz JZKNVSOCQZQXLF-OXHZDVMGSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1O ZINC000351796732 176293475 /nfs/dbraw/zinc/29/34/75/176293475.db2.gz XTCZTOKQNDFKMQ-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000351796732 176293477 /nfs/dbraw/zinc/29/34/77/176293477.db2.gz XTCZTOKQNDFKMQ-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000351796732 176293479 /nfs/dbraw/zinc/29/34/79/176293479.db2.gz XTCZTOKQNDFKMQ-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000235323344 176294671 /nfs/dbraw/zinc/29/46/71/176294671.db2.gz JHCGBMNTONWLLS-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCF ZINC000368417110 176300738 /nfs/dbraw/zinc/30/07/38/176300738.db2.gz PHODJLYRUDNCDV-JHJVBQTASA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCF ZINC000368417110 176300739 /nfs/dbraw/zinc/30/07/39/176300739.db2.gz PHODJLYRUDNCDV-JHJVBQTASA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000310059688 176341594 /nfs/dbraw/zinc/34/15/94/176341594.db2.gz JZDGJALIDLUTGY-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000310059688 176341596 /nfs/dbraw/zinc/34/15/96/176341596.db2.gz JZDGJALIDLUTGY-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309657742 176344456 /nfs/dbraw/zinc/34/44/56/176344456.db2.gz AHOMNORDUJCSIM-DGCLKSJQSA-N 2 1 224.348 1.263 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2CCOCC2)CC[NH2+]1 ZINC000235379074 176367599 /nfs/dbraw/zinc/36/75/99/176367599.db2.gz WNIFWKQWSUOAEN-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2nccn2C)CC[NH2+]1 ZINC000235380158 176367945 /nfs/dbraw/zinc/36/79/45/176367945.db2.gz RRYWZNJHCXTATK-NEPJUHHUSA-N 2 1 236.363 1.240 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCSCC2)CC[NH2+]1 ZINC000235381219 176368425 /nfs/dbraw/zinc/36/84/25/176368425.db2.gz XNUNOABKVPJHDB-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H](O)[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336679959 177008609 /nfs/dbraw/zinc/00/86/09/177008609.db2.gz CHYPEJYCABLDJB-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336679959 177008612 /nfs/dbraw/zinc/00/86/12/177008612.db2.gz CHYPEJYCABLDJB-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336679959 177008613 /nfs/dbraw/zinc/00/86/13/177008613.db2.gz CHYPEJYCABLDJB-MJBXVCDLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000310122255 177070664 /nfs/dbraw/zinc/07/06/64/177070664.db2.gz VJUKJHPTKKWVCT-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310122255 177070666 /nfs/dbraw/zinc/07/06/66/177070666.db2.gz VJUKJHPTKKWVCT-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310122255 177070668 /nfs/dbraw/zinc/07/06/68/177070668.db2.gz VJUKJHPTKKWVCT-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310122255 177070670 /nfs/dbraw/zinc/07/06/70/177070670.db2.gz VJUKJHPTKKWVCT-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310122255 177070671 /nfs/dbraw/zinc/07/06/71/177070671.db2.gz VJUKJHPTKKWVCT-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000360933142 177234922 /nfs/dbraw/zinc/23/49/22/177234922.db2.gz JVZKHTUWSXSJCV-CRWXNKLISA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000360933142 177234924 /nfs/dbraw/zinc/23/49/24/177234924.db2.gz JVZKHTUWSXSJCV-CRWXNKLISA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000061918644 177245965 /nfs/dbraw/zinc/24/59/65/177245965.db2.gz BJCZEIHCHRDEGB-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCF)CC[C@@H]1[NH3+] ZINC000336678100 177248750 /nfs/dbraw/zinc/24/87/50/177248750.db2.gz DWBVGVGAMCJXDS-QWRGUYRKSA-N 2 1 202.317 1.795 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1C ZINC000336895411 177254393 /nfs/dbraw/zinc/25/43/93/177254393.db2.gz YTMXSEOBRQHTEK-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)C[C@H](C)[N@H+]1C ZINC000336895411 177254395 /nfs/dbraw/zinc/25/43/95/177254395.db2.gz YTMXSEOBRQHTEK-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000336895411 177254396 /nfs/dbraw/zinc/25/43/96/177254396.db2.gz YTMXSEOBRQHTEK-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000123471224 177254476 /nfs/dbraw/zinc/25/44/76/177254476.db2.gz LDPMAQJAZRIYLB-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309657752 177296222 /nfs/dbraw/zinc/29/62/22/177296222.db2.gz AHOMNORDUJCSIM-WCQYABFASA-N 2 1 224.348 1.263 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000251630637 177302010 /nfs/dbraw/zinc/30/20/10/177302010.db2.gz IJCXMGYUXOSRLV-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1CSCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000069760975 177305347 /nfs/dbraw/zinc/30/53/47/177305347.db2.gz FHAXUIDBHUFNHA-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000304401720 177306198 /nfs/dbraw/zinc/30/61/98/177306198.db2.gz HHPJEXLSPGGREA-GWCFXTLKSA-N 2 1 240.416 1.954 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](CC2CC[NH2+]CC2)C1 ZINC000019470525 177313521 /nfs/dbraw/zinc/31/35/21/177313521.db2.gz KRRSOTORXLAJEV-TXEJJXNPSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336644264 177316881 /nfs/dbraw/zinc/31/68/81/177316881.db2.gz CDACBSYHSJCCCB-NTZNESFSSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336644264 177316882 /nfs/dbraw/zinc/31/68/82/177316882.db2.gz CDACBSYHSJCCCB-NTZNESFSSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336644264 177316885 /nfs/dbraw/zinc/31/68/85/177316885.db2.gz CDACBSYHSJCCCB-NTZNESFSSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336644264 177316887 /nfs/dbraw/zinc/31/68/87/177316887.db2.gz CDACBSYHSJCCCB-NTZNESFSSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2CCOCC2)CC[NH2+]1 ZINC000235697322 177323286 /nfs/dbraw/zinc/32/32/86/177323286.db2.gz WNIFWKQWSUOAEN-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[C@@H](C[NH+]2CCC(N(C)C)CC2)CC[NH2+]1 ZINC000235698721 177324505 /nfs/dbraw/zinc/32/45/05/177324505.db2.gz NKQKUGNGRXWKKA-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCC(F)(F)F ZINC000122332110 177324604 /nfs/dbraw/zinc/32/46/04/177324604.db2.gz AVTKQDHDHHKQTF-IUCAKERBSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCC(F)(F)F ZINC000122332110 177324606 /nfs/dbraw/zinc/32/46/06/177324606.db2.gz AVTKQDHDHHKQTF-IUCAKERBSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccsc1 ZINC000126717761 177325054 /nfs/dbraw/zinc/32/50/54/177325054.db2.gz GYPUCNSCKUJHPE-ONGXEEELSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC000361756818 177332019 /nfs/dbraw/zinc/33/20/19/177332019.db2.gz OVPLWDSXVZKTEO-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC000361756818 177332020 /nfs/dbraw/zinc/33/20/20/177332020.db2.gz OVPLWDSXVZKTEO-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1C ZINC000177838750 177332730 /nfs/dbraw/zinc/33/27/30/177332730.db2.gz XBLBJAKMWWHMAG-WFASDCNBSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@H]1C[C@@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000336740537 177345020 /nfs/dbraw/zinc/34/50/20/177345020.db2.gz MIWIKPIRYAVFGE-NWDGAFQWSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCCSCC2)CC[NH2+]1 ZINC000235661838 177362545 /nfs/dbraw/zinc/36/25/45/177362545.db2.gz XNUNOABKVPJHDB-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCOCC2CC2)CC[N@@H+]1C ZINC000123136732 177364129 /nfs/dbraw/zinc/36/41/29/177364129.db2.gz PMWBVINTCFOLMO-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCOCC2CC2)CC[N@H+]1C ZINC000123136732 177364131 /nfs/dbraw/zinc/36/41/31/177364131.db2.gz PMWBVINTCFOLMO-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCOCC2CC2)CC[NH+]1C ZINC000123136732 177364133 /nfs/dbraw/zinc/36/41/33/177364133.db2.gz PMWBVINTCFOLMO-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC2CC2)CC[NH+]1C ZINC000123136732 177364135 /nfs/dbraw/zinc/36/41/35/177364135.db2.gz PMWBVINTCFOLMO-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159186 177371923 /nfs/dbraw/zinc/37/19/23/177371923.db2.gz UWIPOCBEIDRAGZ-MDZLAQPJSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159186 177371925 /nfs/dbraw/zinc/37/19/25/177371925.db2.gz UWIPOCBEIDRAGZ-MDZLAQPJSA-N 2 1 236.363 1.238 20 0 BDADMP CC1(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CCC1 ZINC000313349089 487640632 /nfs/dbraw/zinc/64/06/32/487640632.db2.gz UWNDDIDGDVEABE-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP CC1(C[N@H+]2CCCO[C@H](C[NH3+])C2)CCC1 ZINC000313349089 487640636 /nfs/dbraw/zinc/64/06/36/487640636.db2.gz UWNDDIDGDVEABE-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000400362179 225097701 /nfs/dbraw/zinc/09/77/01/225097701.db2.gz CKWBIUWQIOMPDW-DGAVXFQQSA-N 2 1 237.391 1.343 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000401737834 225230265 /nfs/dbraw/zinc/23/02/65/225230265.db2.gz ZWSMWSBTKGUXOO-WXHSDQCUSA-N 2 1 219.332 1.741 20 0 BDADMP C[C@@H]([NH2+]CCOCC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400404352 225167542 /nfs/dbraw/zinc/16/75/42/225167542.db2.gz RGBIKFLGQQGGGP-TZMCWYRMSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H]1C[C@@H]1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000488293854 225363104 /nfs/dbraw/zinc/36/31/04/225363104.db2.gz GGJOGGMLQUDZOY-QWHCGFSZSA-N 2 1 240.391 1.421 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000494911390 226271180 /nfs/dbraw/zinc/27/11/80/226271180.db2.gz UHCDXTVIGBFQFK-SGMGOOAPSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400360923 226341848 /nfs/dbraw/zinc/34/18/48/226341848.db2.gz BWYITTKGILZKKP-SGMGOOAPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400554434 226346244 /nfs/dbraw/zinc/34/62/44/226346244.db2.gz PHWRKRNXRNUGQX-RFGFWPKPSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400816337 226351929 /nfs/dbraw/zinc/35/19/29/226351929.db2.gz ZWQHPWPHWUEQSR-VHDGCEQUSA-N 2 1 248.370 1.320 20 0 BDADMP c1ccc(OCCCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000507369130 226368484 /nfs/dbraw/zinc/36/84/84/226368484.db2.gz RNXHIAOTGLOQBX-ZDUSSCGKSA-N 2 1 234.343 1.797 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]CCN1CCCc1c[nH+]cn1C ZINC000313863005 487651859 /nfs/dbraw/zinc/65/18/59/487651859.db2.gz ARIRLPWVTQHFOR-NWDGAFQWSA-N 2 1 236.363 1.035 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000383738629 487669967 /nfs/dbraw/zinc/66/99/67/487669967.db2.gz HYZNATPGPKKLJU-ZWNOBZJWSA-N 2 1 236.363 1.070 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383756125 487670533 /nfs/dbraw/zinc/67/05/33/487670533.db2.gz KPTIDDAUEIVKHL-ZIAGYGMSSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000383756125 487670537 /nfs/dbraw/zinc/67/05/37/487670537.db2.gz KPTIDDAUEIVKHL-ZIAGYGMSSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383756125 487670541 /nfs/dbraw/zinc/67/05/41/487670541.db2.gz KPTIDDAUEIVKHL-ZIAGYGMSSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000151184989 487689726 /nfs/dbraw/zinc/68/97/26/487689726.db2.gz SFIOXRLCQXVQNE-AGIUHOORSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000151184989 487689732 /nfs/dbraw/zinc/68/97/32/487689732.db2.gz SFIOXRLCQXVQNE-AGIUHOORSA-N 2 1 228.380 1.466 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000228620345 487693524 /nfs/dbraw/zinc/69/35/24/487693524.db2.gz YHHPRIOPMSXTIP-TZMCWYRMSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cncc(C)c2)CC[C@@H]1[NH3+] ZINC000228622072 487696445 /nfs/dbraw/zinc/69/64/45/487696445.db2.gz TXLOLRRGNSJJPR-KBPBESRZSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cncc(C)c2)CC[C@@H]1[NH3+] ZINC000228622072 487696448 /nfs/dbraw/zinc/69/64/48/487696448.db2.gz TXLOLRRGNSJJPR-KBPBESRZSA-N 2 1 233.359 1.949 20 0 BDADMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCC[NH3+] ZINC000336713082 487719769 /nfs/dbraw/zinc/71/97/69/487719769.db2.gz VJBBGDVQFOVGDP-MRVPVSSYSA-N 2 1 224.270 1.998 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000310547556 487742932 /nfs/dbraw/zinc/74/29/32/487742932.db2.gz SVBSQOYFWIPSCF-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000233879714 487750582 /nfs/dbraw/zinc/75/05/82/487750582.db2.gz NGRWOYMINHKMJF-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000226537997 487754976 /nfs/dbraw/zinc/75/49/76/487754976.db2.gz SKNMXKYBBQULEA-GMXVVIOVSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251858539 487803183 /nfs/dbraw/zinc/80/31/83/487803183.db2.gz SFBFZVGBKOIOMW-NTZNESFSSA-N 2 1 219.332 1.812 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000309242871 487806050 /nfs/dbraw/zinc/80/60/50/487806050.db2.gz LDYHAHBALMJDTE-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000309242871 487806052 /nfs/dbraw/zinc/80/60/52/487806052.db2.gz LDYHAHBALMJDTE-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000309242871 487806054 /nfs/dbraw/zinc/80/60/54/487806054.db2.gz LDYHAHBALMJDTE-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)(C)[C@@H]1CC[N@@H+](CCC[NH3+])C[C@@H]1O ZINC000414755680 487821398 /nfs/dbraw/zinc/82/13/98/487821398.db2.gz ICYJUMAPIBTHMK-MNOVXSKESA-N 2 1 214.353 1.064 20 0 BDADMP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCC[NH3+])C1 ZINC000414748519 487821716 /nfs/dbraw/zinc/82/17/16/487821716.db2.gz WRDYGDWUMHDZGH-AAEUAGOBSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252788188 487833809 /nfs/dbraw/zinc/83/38/09/487833809.db2.gz QWRSHKNHSUROPM-HBNTYKKESA-N 2 1 220.320 1.207 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252788188 487833815 /nfs/dbraw/zinc/83/38/15/487833815.db2.gz QWRSHKNHSUROPM-HBNTYKKESA-N 2 1 220.320 1.207 20 0 BDADMP Cc1[nH+]cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)n1C ZINC000668090246 487835016 /nfs/dbraw/zinc/83/50/16/487835016.db2.gz JBJMIGMJZITKFD-HZMBPMFUSA-N 2 1 249.358 1.728 20 0 BDADMP CCCC[C@@H](CC)CC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415073876 487836632 /nfs/dbraw/zinc/83/66/32/487836632.db2.gz ZAWXBHTUOKYVFL-OLZOCXBDSA-N 2 1 230.396 1.844 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](C)COC)CC[C@@H]1[NH3+] ZINC000253110288 487851173 /nfs/dbraw/zinc/85/11/73/487851173.db2.gz GAWKFIDWUXGHQU-TUAOUCFPSA-N 2 1 214.353 1.328 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc2ccccn12 ZINC000666753610 487873272 /nfs/dbraw/zinc/87/32/72/487873272.db2.gz DGQROQIBUIAPHE-UHFFFAOYSA-N 2 1 246.358 1.941 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000086435423 487878279 /nfs/dbraw/zinc/87/82/79/487878279.db2.gz YIXQPQFYZIRJGG-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1cccc2cnccc21 ZINC000666867796 487894357 /nfs/dbraw/zinc/89/43/57/487894357.db2.gz DTLQYCUWPDTRRE-SNVBAGLBSA-N 2 1 215.300 1.672 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cnc3ccccn23)CC[NH2+]1 ZINC000666872544 487895357 /nfs/dbraw/zinc/89/53/57/487895357.db2.gz QLDMXEYUNWUHRT-NWDGAFQWSA-N 2 1 244.342 1.564 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C1 ZINC000666947805 487912488 /nfs/dbraw/zinc/91/24/88/487912488.db2.gz IRJSNLRGAOPMBI-CYDGBPFRSA-N 2 1 243.370 1.006 20 0 BDADMP C[C@@H]1CN(CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000396348401 487914653 /nfs/dbraw/zinc/91/46/53/487914653.db2.gz FEMXWXHZDPAMCE-CQSZACIVSA-N 2 1 247.386 1.542 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)[C@H]1CC[NH3+] ZINC000404296086 487916637 /nfs/dbraw/zinc/91/66/37/487916637.db2.gz DAKVIQLEJWDDIF-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP COCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404296307 487917283 /nfs/dbraw/zinc/91/72/83/487917283.db2.gz NZYGJVJYSQZYJF-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP COCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404296310 487917337 /nfs/dbraw/zinc/91/73/37/487917337.db2.gz NZYGJVJYSQZYJF-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP FC1(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666993836 487923788 /nfs/dbraw/zinc/92/37/88/487923788.db2.gz NHFWKLBSKIUDLB-JTQLQIEISA-N 2 1 212.312 1.753 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998211 487925199 /nfs/dbraw/zinc/92/51/99/487925199.db2.gz IKIFYYFOHSCZTG-LBPRGKRZSA-N 2 1 248.374 1.791 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652352701 487930344 /nfs/dbraw/zinc/93/03/44/487930344.db2.gz OMKFGLOOCFUIRU-RDBSUJKOSA-N 3 1 237.391 1.047 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000560944272 322993721 /nfs/dbraw/zinc/99/37/21/322993721.db2.gz CUCURMZRHBPJKM-VIFPVBQESA-N 2 1 239.388 1.966 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000564722338 323007345 /nfs/dbraw/zinc/00/73/45/323007345.db2.gz ASNPYVLETLSLNJ-LBPRGKRZSA-N 2 1 236.363 1.387 20 0 BDADMP Cn1cncc1CCC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000569738614 323039389 /nfs/dbraw/zinc/03/93/89/323039389.db2.gz FGTHYPWOJZZWMH-RYUDHWBXSA-N 2 1 237.372 1.542 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569988859 323046629 /nfs/dbraw/zinc/04/66/29/323046629.db2.gz XEQAKTCJDFIHGE-MGPQQGTHSA-N 2 1 241.423 1.966 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000570802248 323070767 /nfs/dbraw/zinc/07/07/67/323070767.db2.gz BKVQMOAXQBZUOM-LSDHHAIUSA-N 3 1 247.386 1.895 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000228292955 323082216 /nfs/dbraw/zinc/08/22/16/323082216.db2.gz JUAYGJVZGAVIPP-RISCZKNCSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000228292955 323082217 /nfs/dbraw/zinc/08/22/17/323082217.db2.gz JUAYGJVZGAVIPP-RISCZKNCSA-N 2 1 233.359 1.820 20 0 BDADMP CCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000310391818 323083868 /nfs/dbraw/zinc/08/38/68/323083868.db2.gz LDBXPCXUBMPYDC-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000310391818 323083869 /nfs/dbraw/zinc/08/38/69/323083869.db2.gz LDBXPCXUBMPYDC-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000310391818 323083870 /nfs/dbraw/zinc/08/38/70/323083870.db2.gz LDBXPCXUBMPYDC-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000310391818 323083871 /nfs/dbraw/zinc/08/38/71/323083871.db2.gz LDBXPCXUBMPYDC-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC(C)COCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397301879 323090320 /nfs/dbraw/zinc/09/03/20/323090320.db2.gz KRWQRTRINBFFTJ-MCIONIFRSA-N 2 1 242.407 1.964 20 0 BDADMP CC[NH+](CC)CCSCc1nc(C[NH3+])no1 ZINC000563117991 323093775 /nfs/dbraw/zinc/09/37/75/323093775.db2.gz GJKFEUAFUCONQO-UHFFFAOYSA-N 2 1 244.364 1.103 20 0 BDADMP C[C@@]1(CNCc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000563135421 323094574 /nfs/dbraw/zinc/09/45/74/323094574.db2.gz LYCDEXLSPQRZGS-CQSZACIVSA-N 2 1 233.359 1.235 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567896415 323097986 /nfs/dbraw/zinc/09/79/86/323097986.db2.gz JVQOICJXHKWJBL-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000563446104 323126199 /nfs/dbraw/zinc/12/61/99/323126199.db2.gz VKCRTIQBAVVYIQ-VHDGCEQUSA-N 2 1 248.370 1.614 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000310038610 323126925 /nfs/dbraw/zinc/12/69/25/323126925.db2.gz WGJDDBRAMBIJSW-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000310038610 323126926 /nfs/dbraw/zinc/12/69/26/323126926.db2.gz WGJDDBRAMBIJSW-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](CC(C)C)CC(C)C ZINC000310567389 323133502 /nfs/dbraw/zinc/13/35/02/323133502.db2.gz YCUXYINJYYGYDT-AWEZNQCLSA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC(C)C)CC(C)C ZINC000310567389 323133503 /nfs/dbraw/zinc/13/35/03/323133503.db2.gz YCUXYINJYYGYDT-AWEZNQCLSA-N 2 1 244.423 1.913 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000571424796 323144566 /nfs/dbraw/zinc/14/45/66/323144566.db2.gz LUABRHSPJXNJMX-JTQLQIEISA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)C1CC1 ZINC000571424796 323144567 /nfs/dbraw/zinc/14/45/67/323144567.db2.gz LUABRHSPJXNJMX-JTQLQIEISA-N 2 1 207.321 1.922 20 0 BDADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000049181702 323158594 /nfs/dbraw/zinc/15/85/94/323158594.db2.gz WVKNHRIIIOBUSN-CMPLNLGQSA-N 2 1 242.388 1.191 20 0 BDADMP Cc1cnccc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000304571655 323164341 /nfs/dbraw/zinc/16/43/41/323164341.db2.gz MSVHYSBFYWFIHQ-CYBMUJFWSA-N 2 1 221.348 1.853 20 0 BDADMP FC1(C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000308522433 323175215 /nfs/dbraw/zinc/17/52/15/323175215.db2.gz UQHGGJOIJIHWKV-UHFFFAOYSA-N 2 1 200.301 1.564 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529545369 323183533 /nfs/dbraw/zinc/18/35/33/323183533.db2.gz VSHTZRKIGMSZEO-MWLCHTKSSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529545369 323183534 /nfs/dbraw/zinc/18/35/34/323183534.db2.gz VSHTZRKIGMSZEO-MWLCHTKSSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530211629 323212104 /nfs/dbraw/zinc/21/21/04/323212104.db2.gz NDERHZJFPDWJCU-AGIUHOORSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCOCC1 ZINC000161525880 323541606 /nfs/dbraw/zinc/54/16/06/323541606.db2.gz CRJZRKWFQWSKFP-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000123101374 324083260 /nfs/dbraw/zinc/08/32/60/324083260.db2.gz LGDOUWKRTWYOQH-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP Fc1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000529532364 324327269 /nfs/dbraw/zinc/32/72/69/324327269.db2.gz ITWCWRQJDLJKNX-LLVKDONJSA-N 2 1 249.333 1.795 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529545367 324334359 /nfs/dbraw/zinc/33/43/59/324334359.db2.gz VSHTZRKIGMSZEO-GXSJLCMTSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529545367 324334362 /nfs/dbraw/zinc/33/43/62/324334362.db2.gz VSHTZRKIGMSZEO-GXSJLCMTSA-N 2 1 248.317 1.076 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218658 324535724 /nfs/dbraw/zinc/53/57/24/324535724.db2.gz JHCAQSLRRITZKR-GHMZBOCLSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000530220589 324538856 /nfs/dbraw/zinc/53/88/56/324538856.db2.gz BNXSZNWVQFIGPQ-CWSCBRNRSA-N 2 1 247.342 1.265 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000071012019 325050516 /nfs/dbraw/zinc/05/05/16/325050516.db2.gz CAXILOIFHYMSSX-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP Cn1ccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000564314920 325333032 /nfs/dbraw/zinc/33/30/32/325333032.db2.gz LKGAXSSDWBDLQE-UHFFFAOYSA-N 2 1 209.337 1.409 20 0 BDADMP Cn1ccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000564314920 325333033 /nfs/dbraw/zinc/33/30/33/325333033.db2.gz LKGAXSSDWBDLQE-UHFFFAOYSA-N 2 1 209.337 1.409 20 0 BDADMP Cc1cccc(CN[C@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000133953597 325333579 /nfs/dbraw/zinc/33/35/79/325333579.db2.gz IYWDZQYISRYFAV-OCCSQVGLSA-N 2 1 249.358 1.247 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)co1 ZINC000310384102 487969398 /nfs/dbraw/zinc/96/93/98/487969398.db2.gz DDLKCJAMMOVGCI-UHTWSYAYSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)co1 ZINC000310384102 487969401 /nfs/dbraw/zinc/96/94/01/487969401.db2.gz DDLKCJAMMOVGCI-UHTWSYAYSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000158638754 487969944 /nfs/dbraw/zinc/96/99/44/487969944.db2.gz SDNZJSOSCWOWPP-SRVKXCTJSA-N 2 1 212.337 1.143 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000566549535 326063311 /nfs/dbraw/zinc/06/33/11/326063311.db2.gz JARDAZGIJCNZDO-CMPLNLGQSA-N 2 1 214.353 1.376 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566867057 326089020 /nfs/dbraw/zinc/08/90/20/326089020.db2.gz TXFWHGRQUKKMLS-YIYPIFLZSA-N 3 1 239.407 1.719 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000567226797 326146358 /nfs/dbraw/zinc/14/63/58/326146358.db2.gz DYMIORBMXAOQLY-ZOBORPQBSA-N 2 1 232.327 1.898 20 0 BDADMP Cc1cnc(C[NH+]2CCC(CC[NH3+])CC2)o1 ZINC000567242164 326148809 /nfs/dbraw/zinc/14/88/09/326148809.db2.gz UHRJLBZQICBSGI-UHFFFAOYSA-N 2 1 223.320 1.544 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000156291314 326226175 /nfs/dbraw/zinc/22/61/75/326226175.db2.gz INDOTURNRCUUBV-HZSPNIEDSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000156291314 326226177 /nfs/dbraw/zinc/22/61/77/326226177.db2.gz INDOTURNRCUUBV-HZSPNIEDSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000156291314 326226179 /nfs/dbraw/zinc/22/61/79/326226179.db2.gz INDOTURNRCUUBV-HZSPNIEDSA-N 3 1 239.407 1.401 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000567837950 326266946 /nfs/dbraw/zinc/26/69/46/326266946.db2.gz DOSGOMTYFMKLFW-VXGBXAGGSA-N 2 1 241.379 1.103 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000568270131 326337929 /nfs/dbraw/zinc/33/79/29/326337929.db2.gz QJTQQYHBSBUNLR-UHFFFAOYSA-N 2 1 249.358 1.983 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CCCC1 ZINC000568526870 326363015 /nfs/dbraw/zinc/36/30/15/326363015.db2.gz FVVNRFLYLZDWRW-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CCCC1 ZINC000568526870 326363017 /nfs/dbraw/zinc/36/30/17/326363017.db2.gz FVVNRFLYLZDWRW-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C1CC1)C1CCCC1 ZINC000568526870 326363019 /nfs/dbraw/zinc/36/30/19/326363019.db2.gz FVVNRFLYLZDWRW-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)C1CCCC1 ZINC000568526870 326363021 /nfs/dbraw/zinc/36/30/21/326363021.db2.gz FVVNRFLYLZDWRW-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH2+]CCCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000569106206 326390521 /nfs/dbraw/zinc/39/05/21/326390521.db2.gz UBGHLSGHZNTPOS-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000221728368 487973529 /nfs/dbraw/zinc/97/35/29/487973529.db2.gz VEKWWMHJTALQDO-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309620215 487995370 /nfs/dbraw/zinc/99/53/70/487995370.db2.gz DZGFZTZYAJLATM-SNVBAGLBSA-N 2 1 225.336 1.366 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000147436156 488023551 /nfs/dbraw/zinc/02/35/51/488023551.db2.gz RQJPNEJGEHXPIN-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000653692645 488037019 /nfs/dbraw/zinc/03/70/19/488037019.db2.gz ZHCAKPFKMLFEPW-CYBMUJFWSA-N 2 1 237.347 1.464 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000653692645 488037024 /nfs/dbraw/zinc/03/70/24/488037024.db2.gz ZHCAKPFKMLFEPW-CYBMUJFWSA-N 2 1 237.347 1.464 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cnccc2C)CC[C@@H]1[NH3+] ZINC000135502257 488039050 /nfs/dbraw/zinc/03/90/50/488039050.db2.gz KMTSZHUHSKIESE-JSGCOSHPSA-N 2 1 233.359 1.949 20 0 BDADMP CC(C)[NH+]1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000084384849 488049946 /nfs/dbraw/zinc/04/99/46/488049946.db2.gz DAGRVXBIJUOLRJ-CYBMUJFWSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000388608806 488049682 /nfs/dbraw/zinc/04/96/82/488049682.db2.gz XBHSNMJBVILWJH-MGPQQGTHSA-N 2 1 242.407 1.856 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000663510189 488055142 /nfs/dbraw/zinc/05/51/42/488055142.db2.gz CRAQNDPFPLYBFB-BXUZGUMPSA-N 2 1 218.344 1.741 20 0 BDADMP Cc1ncc(CN2CC[N@@H+](C)CC2(C)C)n1C ZINC000667644604 488067719 /nfs/dbraw/zinc/06/77/19/488067719.db2.gz PFYYGGIGQGFVBQ-UHFFFAOYSA-N 2 1 236.363 1.255 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000237066610 488102970 /nfs/dbraw/zinc/10/29/70/488102970.db2.gz ZRYQDRWTTWYLFR-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000683145229 488118974 /nfs/dbraw/zinc/11/89/74/488118974.db2.gz VJEMVZTWPBIWSL-ZDUSSCGKSA-N 2 1 242.407 1.979 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC000403613406 488129485 /nfs/dbraw/zinc/12/94/85/488129485.db2.gz JLFAKCPNIDTHQS-FVCCEPFGSA-N 2 1 224.348 1.082 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC000403613406 488129489 /nfs/dbraw/zinc/12/94/89/488129489.db2.gz JLFAKCPNIDTHQS-FVCCEPFGSA-N 2 1 224.348 1.082 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CO)C1 ZINC000121127311 490077170 /nfs/dbraw/zinc/07/71/70/490077170.db2.gz VRRWUIXXWRQVJO-CHWSQXEVSA-N 2 1 228.380 1.279 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121127311 490077171 /nfs/dbraw/zinc/07/71/71/490077171.db2.gz VRRWUIXXWRQVJO-CHWSQXEVSA-N 2 1 228.380 1.279 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121127311 490077173 /nfs/dbraw/zinc/07/71/73/490077173.db2.gz VRRWUIXXWRQVJO-CHWSQXEVSA-N 2 1 228.380 1.279 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)CCC(C)(C)C)C1CC1 ZINC000399668041 487542907 /nfs/dbraw/zinc/54/29/07/487542907.db2.gz KDZZZPVUWKYZBB-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)CCC(C)(C)C)C1CC1 ZINC000399668041 487542914 /nfs/dbraw/zinc/54/29/14/487542914.db2.gz KDZZZPVUWKYZBB-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CCC(C)(C)C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000399668041 487542920 /nfs/dbraw/zinc/54/29/20/487542920.db2.gz KDZZZPVUWKYZBB-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CCC(C)(C)C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000399668041 487542925 /nfs/dbraw/zinc/54/29/25/487542925.db2.gz KDZZZPVUWKYZBB-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C[C@H]1CCOc2ccccc21 ZINC000161986546 487531551 /nfs/dbraw/zinc/53/15/51/487531551.db2.gz WAMCJGGJYMBILW-GHMZBOCLSA-N 2 1 220.316 1.490 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)CO ZINC000677820644 488137445 /nfs/dbraw/zinc/13/74/45/488137445.db2.gz RONMMCHGOBQPMG-LLVKDONJSA-N 2 1 225.336 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)CO ZINC000677820644 488137448 /nfs/dbraw/zinc/13/74/48/488137448.db2.gz RONMMCHGOBQPMG-LLVKDONJSA-N 2 1 225.336 1.142 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000399627304 487491213 /nfs/dbraw/zinc/49/12/13/487491213.db2.gz VRNWQHNGVQQPJF-ZOBORPQBSA-N 2 1 242.407 1.664 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000399627304 487491217 /nfs/dbraw/zinc/49/12/17/487491217.db2.gz VRNWQHNGVQQPJF-ZOBORPQBSA-N 2 1 242.407 1.664 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000399627304 487491222 /nfs/dbraw/zinc/49/12/22/487491222.db2.gz VRNWQHNGVQQPJF-ZOBORPQBSA-N 2 1 242.407 1.664 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCSC1)C2 ZINC000381372716 487506654 /nfs/dbraw/zinc/50/66/54/487506654.db2.gz IBLKMFFNHQFRKB-AGIUHOORSA-N 2 1 240.416 1.800 20 0 BDADMP Cc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)cn1 ZINC000304547052 487510786 /nfs/dbraw/zinc/51/07/86/487510786.db2.gz JPHNZEHEVNJDJG-CYBMUJFWSA-N 2 1 221.348 1.853 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000308881279 487572374 /nfs/dbraw/zinc/57/23/74/487572374.db2.gz VPNOZTALGATVJG-NWDGAFQWSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000308881279 487572379 /nfs/dbraw/zinc/57/23/79/487572379.db2.gz VPNOZTALGATVJG-NWDGAFQWSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@H](C)[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000308881279 487572366 /nfs/dbraw/zinc/57/23/66/487572366.db2.gz VPNOZTALGATVJG-NWDGAFQWSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000308881279 487572369 /nfs/dbraw/zinc/57/23/69/487572369.db2.gz VPNOZTALGATVJG-NWDGAFQWSA-N 2 1 216.369 1.419 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000676325412 487837424 /nfs/dbraw/zinc/83/74/24/487837424.db2.gz IGNCYFIHTFRXIU-MFKMUULPSA-N 2 1 244.342 1.935 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000676325412 487837427 /nfs/dbraw/zinc/83/74/27/487837427.db2.gz IGNCYFIHTFRXIU-MFKMUULPSA-N 2 1 244.342 1.935 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228140 488135471 /nfs/dbraw/zinc/13/54/71/488135471.db2.gz VTQLBRKUVIUHSU-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](CO)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228141 488135547 /nfs/dbraw/zinc/13/55/47/488135547.db2.gz VTQLBRKUVIUHSU-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000379920923 488158254 /nfs/dbraw/zinc/15/82/54/488158254.db2.gz QNWCNNYQSVTZPF-MGPQQGTHSA-N 2 1 242.407 1.950 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657878759 488159703 /nfs/dbraw/zinc/15/97/03/488159703.db2.gz ZPUCHJRIRRQVDS-STQMWFEESA-N 2 1 248.374 1.649 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657878759 488159706 /nfs/dbraw/zinc/15/97/06/488159706.db2.gz ZPUCHJRIRRQVDS-STQMWFEESA-N 2 1 248.374 1.649 20 0 BDADMP C[C@@H](CO)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000678043404 488178782 /nfs/dbraw/zinc/17/87/82/488178782.db2.gz CETILBKSRGGCDZ-OCCSQVGLSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@@H](CO)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000678043404 488178789 /nfs/dbraw/zinc/17/87/89/488178789.db2.gz CETILBKSRGGCDZ-OCCSQVGLSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@@H](CO)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000678043404 488178794 /nfs/dbraw/zinc/17/87/94/488178794.db2.gz CETILBKSRGGCDZ-OCCSQVGLSA-N 2 1 240.391 1.279 20 0 BDADMP c1cc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n[nH]1 ZINC000178959203 488187219 /nfs/dbraw/zinc/18/72/19/488187219.db2.gz SQECTNPXDNNOMJ-CYBMUJFWSA-N 2 1 248.374 1.589 20 0 BDADMP c1cc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)[nH]n1 ZINC000178959203 488187223 /nfs/dbraw/zinc/18/72/23/488187223.db2.gz SQECTNPXDNNOMJ-CYBMUJFWSA-N 2 1 248.374 1.589 20 0 BDADMP c1cc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)[nH]n1 ZINC000178959203 488187225 /nfs/dbraw/zinc/18/72/25/488187225.db2.gz SQECTNPXDNNOMJ-CYBMUJFWSA-N 2 1 248.374 1.589 20 0 BDADMP Cc1ncc(C[N@@H+](C)CCCn2ccnc2)n1C ZINC000668168076 488213155 /nfs/dbraw/zinc/21/31/55/488213155.db2.gz MMCNYIVPVFFXLR-UHFFFAOYSA-N 2 1 247.346 1.447 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000678339237 488242615 /nfs/dbraw/zinc/24/26/15/488242615.db2.gz JTKGGIWISASKGD-STQMWFEESA-N 2 1 234.347 1.326 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000678339237 488242617 /nfs/dbraw/zinc/24/26/17/488242617.db2.gz JTKGGIWISASKGD-STQMWFEESA-N 2 1 234.347 1.326 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000678339237 488242619 /nfs/dbraw/zinc/24/26/19/488242619.db2.gz JTKGGIWISASKGD-STQMWFEESA-N 2 1 234.347 1.326 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn[nH]c3)CC[C@@H]21 ZINC000678339237 488242620 /nfs/dbraw/zinc/24/26/20/488242620.db2.gz JTKGGIWISASKGD-STQMWFEESA-N 2 1 234.347 1.326 20 0 BDADMP c1ccc2c(c1)CC[N@@H+](C[C@H]1CNCCO1)C2 ZINC000040412598 488260714 /nfs/dbraw/zinc/26/07/14/488260714.db2.gz VGDWCUNVWUZCNH-CQSZACIVSA-N 2 1 232.327 1.033 20 0 BDADMP c1ccc2c(c1)CC[N@H+](C[C@H]1CNCCO1)C2 ZINC000040412598 488260716 /nfs/dbraw/zinc/26/07/16/488260716.db2.gz VGDWCUNVWUZCNH-CQSZACIVSA-N 2 1 232.327 1.033 20 0 BDADMP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000679127597 488311189 /nfs/dbraw/zinc/31/11/89/488311189.db2.gz TUUREIWYIWWYTA-OKILXGFUSA-N 2 1 244.338 1.411 20 0 BDADMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000679127597 488311193 /nfs/dbraw/zinc/31/11/93/488311193.db2.gz TUUREIWYIWWYTA-OKILXGFUSA-N 2 1 244.338 1.411 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000679851533 488368874 /nfs/dbraw/zinc/36/88/74/488368874.db2.gz SBDMNYUAYUJXQE-NWDGAFQWSA-N 2 1 223.320 1.555 20 0 BDADMP CC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655701094 490088810 /nfs/dbraw/zinc/08/88/10/490088810.db2.gz SIKLDUFEUZFWMN-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1F ZINC000401768791 490133339 /nfs/dbraw/zinc/13/33/39/490133339.db2.gz CHBNYBLBRHICTC-UHFFFAOYSA-N 2 1 233.290 1.892 20 0 BDADMP Cn1cncc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000401633305 490582214 /nfs/dbraw/zinc/58/22/14/490582214.db2.gz BEWQCXFPXYADHA-OLZOCXBDSA-N 2 1 248.374 1.179 20 0 BDADMP CCCC[N@H+](CCOC)CC(C)(C)[NH3+] ZINC000336767000 491119815 /nfs/dbraw/zinc/11/98/15/491119815.db2.gz SSNIRYXUJPHJKR-UHFFFAOYSA-N 2 1 202.342 1.472 20 0 BDADMP CCCC[N@@H+](CCOC)CC(C)(C)[NH3+] ZINC000336767000 491119816 /nfs/dbraw/zinc/11/98/16/491119816.db2.gz SSNIRYXUJPHJKR-UHFFFAOYSA-N 2 1 202.342 1.472 20 0 BDADMP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000090320360 491124423 /nfs/dbraw/zinc/12/44/23/491124423.db2.gz ZKCXHTNQIKPOCK-KBPBESRZSA-N 2 1 246.354 1.655 20 0 BDADMP Cc1cc(F)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320573 491124459 /nfs/dbraw/zinc/12/44/59/491124459.db2.gz DSDYXMYBFNWZDT-CHWSQXEVSA-N 2 1 234.318 1.785 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000310122025 491160452 /nfs/dbraw/zinc/16/04/52/491160452.db2.gz BTTCCSJWMOQPMA-STQMWFEESA-N 2 1 237.347 1.739 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCO)CC[C@H]1[NH3+] ZINC000300332482 582518484 /nfs/dbraw/zinc/51/84/84/582518484.db2.gz RWYDUPBVLPSSCA-VXGBXAGGSA-N 2 1 214.353 1.208 20 0 BDADMP C[C@H](NCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400698866 533839056 /nfs/dbraw/zinc/83/90/56/533839056.db2.gz JPXXKUWCIOKZKV-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400404349 533860551 /nfs/dbraw/zinc/86/05/51/533860551.db2.gz RGBIKFLGQQGGGP-JSGCOSHPSA-N 2 1 240.391 1.923 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000252793262 535541268 /nfs/dbraw/zinc/54/12/68/535541268.db2.gz WWOYQSKTVRKWQE-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP CCN1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000252793262 535541271 /nfs/dbraw/zinc/54/12/71/535541271.db2.gz WWOYQSKTVRKWQE-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250493262 535689202 /nfs/dbraw/zinc/68/92/02/535689202.db2.gz IWGHKVDEDLWTBD-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+]2CCCC2)C1 ZINC000347722934 535781408 /nfs/dbraw/zinc/78/14/08/535781408.db2.gz PFKMYEXIDJLBPK-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CCc1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C)[nH+]1 ZINC000261586616 536126295 /nfs/dbraw/zinc/12/62/95/536126295.db2.gz UNTOSTHXXNSADI-QJPTWQEYSA-N 2 1 246.358 1.521 20 0 BDADMP CCc1nc(N2C[C@@H](C)[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000261589613 536126775 /nfs/dbraw/zinc/12/67/75/536126775.db2.gz TYNMCISZXIVLKF-SCZZXKLOSA-N 2 1 220.320 1.131 20 0 BDADMP CCN(CC)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874379 517636362 /nfs/dbraw/zinc/63/63/62/517636362.db2.gz FCNAGQOINSJTHD-LLVKDONJSA-N 2 1 243.395 1.160 20 0 BDADMP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874379 517636371 /nfs/dbraw/zinc/63/63/71/517636371.db2.gz FCNAGQOINSJTHD-LLVKDONJSA-N 2 1 243.395 1.160 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(F)F ZINC000849031687 582833686 /nfs/dbraw/zinc/83/36/86/582833686.db2.gz ZEURTPKZAHCCBV-SECBINFHSA-N 2 1 248.321 1.240 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)COC(C)=O)CC1 ZINC000892432537 582886495 /nfs/dbraw/zinc/88/64/95/582886495.db2.gz QETQHBRZUQJVBK-JTQLQIEISA-N 2 1 228.336 1.012 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@H]1CCOC1 ZINC000400622363 527080632 /nfs/dbraw/zinc/08/06/32/527080632.db2.gz LHXGUSAFRYMELN-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CSC2)C1 ZINC000393685626 582915727 /nfs/dbraw/zinc/91/57/27/582915727.db2.gz YOPQUGUOKPBIDE-JTQLQIEISA-N 2 1 214.378 1.423 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400514697 528485297 /nfs/dbraw/zinc/48/52/97/528485297.db2.gz MOQPCNCGCHIYKC-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400331981 528865452 /nfs/dbraw/zinc/86/54/52/528865452.db2.gz DZFDJCBVUFUGPY-RAIGVLPGSA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@H]1C[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000479968678 529326814 /nfs/dbraw/zinc/32/68/14/529326814.db2.gz ZGVJIBLVZMDXFN-MQYQWHSLSA-N 2 1 238.375 1.343 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250565706 535550053 /nfs/dbraw/zinc/55/00/53/535550053.db2.gz VASQPDOOOQYKPS-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP CC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000251786749 535579830 /nfs/dbraw/zinc/57/98/30/535579830.db2.gz JMWZVKUDQLJDQP-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000251786749 535579836 /nfs/dbraw/zinc/57/98/36/535579836.db2.gz JMWZVKUDQLJDQP-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CCS[C@@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000261528221 535703527 /nfs/dbraw/zinc/70/35/27/535703527.db2.gz KEHXYZSPYVSNLZ-SNVBAGLBSA-N 2 1 202.367 1.553 20 0 BDADMP CCS[C@@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000261528221 535703530 /nfs/dbraw/zinc/70/35/30/535703530.db2.gz KEHXYZSPYVSNLZ-SNVBAGLBSA-N 2 1 202.367 1.553 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000262061733 535899600 /nfs/dbraw/zinc/89/96/00/535899600.db2.gz RESPPVNJCSEIKK-LOWDOPEQSA-N 2 1 226.364 1.471 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000252668310 536074042 /nfs/dbraw/zinc/07/40/42/536074042.db2.gz UJGQEAFLMIVLKR-KGLIPLIRSA-N 2 1 248.374 1.619 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000252668310 536074045 /nfs/dbraw/zinc/07/40/45/536074045.db2.gz UJGQEAFLMIVLKR-KGLIPLIRSA-N 2 1 248.374 1.619 20 0 BDADMP CCc1nc(N2CC[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261565266 536125565 /nfs/dbraw/zinc/12/55/65/536125565.db2.gz DAXXEFPJHHOCBF-SNVBAGLBSA-N 2 1 220.320 1.132 20 0 BDADMP CCc1nc(NCC2([NH3+])CCC2)cc(C)[nH+]1 ZINC000261586011 536126356 /nfs/dbraw/zinc/12/63/56/536126356.db2.gz QVMOZBVRRUWZAG-UHFFFAOYSA-N 2 1 220.320 1.641 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000084419914 536136596 /nfs/dbraw/zinc/13/65/96/536136596.db2.gz RCTGPEFIWDMRKD-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000084419914 536136601 /nfs/dbraw/zinc/13/66/01/536136601.db2.gz RCTGPEFIWDMRKD-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000087683569 536344686 /nfs/dbraw/zinc/34/46/86/536344686.db2.gz BDBQKANZGIUEPF-LBPRGKRZSA-N 2 1 228.405 1.956 20 0 BDADMP C[N@@H+](CCNCC(C)(C)[NH3+])C1CCCC1 ZINC000261533869 536387123 /nfs/dbraw/zinc/38/71/23/536387123.db2.gz LNBHZWRKYWMACX-UHFFFAOYSA-N 2 1 213.369 1.188 20 0 BDADMP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000177944762 536667831 /nfs/dbraw/zinc/66/78/31/536667831.db2.gz IVFKVAKCPRADMW-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000347713943 536708383 /nfs/dbraw/zinc/70/83/83/536708383.db2.gz XTWSANDGDOFEKC-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000347713943 536708388 /nfs/dbraw/zinc/70/83/88/536708388.db2.gz XTWSANDGDOFEKC-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000347713943 536708393 /nfs/dbraw/zinc/70/83/93/536708393.db2.gz XTWSANDGDOFEKC-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351481782 536874165 /nfs/dbraw/zinc/87/41/65/536874165.db2.gz YFHJSOVEEIJCKE-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252709667 536878407 /nfs/dbraw/zinc/87/84/07/536878407.db2.gz DLZNKUWRCQXJRF-RNJOBUHISA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252709667 536878410 /nfs/dbraw/zinc/87/84/10/536878410.db2.gz DLZNKUWRCQXJRF-RNJOBUHISA-N 2 1 226.364 1.626 20 0 BDADMP COCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000169231051 536894515 /nfs/dbraw/zinc/89/45/15/536894515.db2.gz KBXXEVBYBQHJKW-VXGBXAGGSA-N 2 1 206.289 1.367 20 0 BDADMP COc1ccccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228407045 537047919 /nfs/dbraw/zinc/04/79/19/537047919.db2.gz CQYAQAOZLHYLJI-UHFFFAOYSA-N 2 1 234.343 1.927 20 0 BDADMP C[C@]1(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420930 566396294 /nfs/dbraw/zinc/39/62/94/566396294.db2.gz QPISGUGSODTTBX-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420930 566396304 /nfs/dbraw/zinc/39/63/04/566396304.db2.gz QPISGUGSODTTBX-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP CCCSC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000893605934 583172075 /nfs/dbraw/zinc/17/20/75/583172075.db2.gz LCWTZIWYWHURDO-VXGBXAGGSA-N 2 1 246.420 1.174 20 0 BDADMP CCCSC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000893605934 583172079 /nfs/dbraw/zinc/17/20/79/583172079.db2.gz LCWTZIWYWHURDO-VXGBXAGGSA-N 2 1 246.420 1.174 20 0 BDADMP CO[C@@]1(C)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894136790 583315399 /nfs/dbraw/zinc/31/53/99/583315399.db2.gz SCNMASBRYOYCMZ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCC[NH3+])CCC1SCCS1 ZINC000853022816 588716511 /nfs/dbraw/zinc/71/65/11/588716511.db2.gz FZBDLOZDXGVDRA-UHFFFAOYSA-N 2 1 220.407 1.463 20 0 BDADMP O[C@H](C[NH2+]CCC[NH+]1CCCC1)c1ccccn1 ZINC000853061045 588718140 /nfs/dbraw/zinc/71/81/40/588718140.db2.gz QXFYSHQMLJSVMF-CQSZACIVSA-N 2 1 249.358 1.191 20 0 BDADMP COC[C@@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757129109 582504832 /nfs/dbraw/zinc/50/48/32/582504832.db2.gz KSMJPFZQHSTENW-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757129109 582504833 /nfs/dbraw/zinc/50/48/33/582504833.db2.gz KSMJPFZQHSTENW-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP CCC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000892067871 582784472 /nfs/dbraw/zinc/78/44/72/582784472.db2.gz BELZPHCDMJVGQW-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCOC(C)(C)C2)CC1 ZINC000892075847 582786110 /nfs/dbraw/zinc/78/61/10/582786110.db2.gz OPECZQADDWPOAW-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000892253284 582814209 /nfs/dbraw/zinc/81/42/09/582814209.db2.gz ZLRLYHHEOJVZBL-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP CCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996206 582821005 /nfs/dbraw/zinc/82/10/05/582821005.db2.gz KWQORATULQNAGK-LBPRGKRZSA-N 2 1 240.395 1.631 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000892624475 582932557 /nfs/dbraw/zinc/93/25/57/582932557.db2.gz UVWWNXLUHAOAMT-JTQLQIEISA-N 2 1 239.319 1.123 20 0 BDADMP C[C@@H]1[C@H](C)[N@@H+](CC2CC[NH+](C)CC2)CCN1C ZINC000893669599 583192059 /nfs/dbraw/zinc/19/20/59/583192059.db2.gz QTDNPNUPYZWYRM-OLZOCXBDSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@H](O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000878163172 583364631 /nfs/dbraw/zinc/36/46/31/583364631.db2.gz OLIRJONFFCYOMI-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000878163172 583364634 /nfs/dbraw/zinc/36/46/34/583364634.db2.gz OLIRJONFFCYOMI-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000878163172 583364636 /nfs/dbraw/zinc/36/46/36/583364636.db2.gz OLIRJONFFCYOMI-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000878163172 583364638 /nfs/dbraw/zinc/36/46/38/583364638.db2.gz OLIRJONFFCYOMI-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000894454883 583464651 /nfs/dbraw/zinc/46/46/51/583464651.db2.gz BJCARHCSKMQFHI-WCQYABFASA-N 2 1 242.363 1.258 20 0 BDADMP CS[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894691663 583507937 /nfs/dbraw/zinc/50/79/37/583507937.db2.gz APGIHFDCRJUOFY-GFCCVEGCSA-N 2 1 228.405 1.766 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@H]2CC(C)=NO2)CC1 ZINC000895306786 583644369 /nfs/dbraw/zinc/64/43/69/583644369.db2.gz JROOGYNWBJTXDD-CYBMUJFWSA-N 2 1 239.363 1.615 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000895386802 583663217 /nfs/dbraw/zinc/66/32/17/583663217.db2.gz YCCILGUTEXEEBY-UONOGXRCSA-N 2 1 238.375 1.297 20 0 BDADMP Cc1ccnc(N)c1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000895780501 583729240 /nfs/dbraw/zinc/72/92/40/583729240.db2.gz KMLAINJDFUKFCV-UHTWSYAYSA-N 2 1 247.342 1.175 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000858127595 588934326 /nfs/dbraw/zinc/93/43/26/588934326.db2.gz JRVKPMQUPFJKBG-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127595 588934328 /nfs/dbraw/zinc/93/43/28/588934328.db2.gz JRVKPMQUPFJKBG-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127595 588934329 /nfs/dbraw/zinc/93/43/29/588934329.db2.gz JRVKPMQUPFJKBG-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP CN1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127595 588934331 /nfs/dbraw/zinc/93/43/31/588934331.db2.gz JRVKPMQUPFJKBG-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP CN1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127595 588934332 /nfs/dbraw/zinc/93/43/32/588934332.db2.gz JRVKPMQUPFJKBG-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP CC[S@](=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858133634 588934359 /nfs/dbraw/zinc/93/43/59/588934359.db2.gz TZEYYQSTQIAXNP-ZBEGNZNMSA-N 2 1 246.420 1.217 20 0 BDADMP CC[S@](=O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858133634 588934360 /nfs/dbraw/zinc/93/43/60/588934360.db2.gz TZEYYQSTQIAXNP-ZBEGNZNMSA-N 2 1 246.420 1.217 20 0 BDADMP CCO[C@@H](C[NH2+]CCC(C)(C)C)C[NH+](C)C ZINC000896880081 583844776 /nfs/dbraw/zinc/84/47/76/583844776.db2.gz MROVGTHSMVMQIK-LBPRGKRZSA-N 2 1 230.396 1.979 20 0 BDADMP CCO[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)C[NH+](C)C ZINC000896879717 583844932 /nfs/dbraw/zinc/84/49/32/583844932.db2.gz GHOKFPZWNRJUBL-SDDRHHMPSA-N 2 1 214.353 1.199 20 0 BDADMP CCO[C@@H](C[NH2+]CC1(SC)CC1)C[NH+](C)C ZINC000896879989 583845075 /nfs/dbraw/zinc/84/50/75/583845075.db2.gz KOTABCIZXUTFKU-NSHDSACASA-N 2 1 246.420 1.438 20 0 BDADMP Cc1cc(NCC[N@H+]2CCC(C)(C)C2)nc(N)[nH+]1 ZINC000897247948 583902745 /nfs/dbraw/zinc/90/27/45/583902745.db2.gz GWQBVTXFSZNNCX-UHFFFAOYSA-N 2 1 249.362 1.511 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864453520 584005457 /nfs/dbraw/zinc/00/54/57/584005457.db2.gz XLPFVLOKWSOCHK-WDEREUQCSA-N 2 1 226.368 1.239 20 0 BDADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864456199 584006144 /nfs/dbraw/zinc/00/61/44/584006144.db2.gz DOFFKIQPMPTMAH-LLVKDONJSA-N 2 1 238.379 1.242 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@@H+]1C ZINC000897813236 584046863 /nfs/dbraw/zinc/04/68/63/584046863.db2.gz IRMRAQZIRJTINQ-QSAXWINLSA-N 2 1 236.359 1.235 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@H+]1C ZINC000897813236 584046865 /nfs/dbraw/zinc/04/68/65/584046865.db2.gz IRMRAQZIRJTINQ-QSAXWINLSA-N 2 1 236.359 1.235 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000897818676 584050856 /nfs/dbraw/zinc/05/08/56/584050856.db2.gz RJBMYTADLWBYKS-BJJPWKGXSA-N 2 1 236.359 1.236 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC23CC(O)C3)CC1(C)C ZINC000897840932 584053367 /nfs/dbraw/zinc/05/33/67/584053367.db2.gz JORIJCPRGBQJCO-KTEZZQQRSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+](C)CC1 ZINC000897971235 584061531 /nfs/dbraw/zinc/06/15/31/584061531.db2.gz XBADVEOIWJCQTO-LBPRGKRZSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@H]1C[C@H](Nc2cc[nH+]c(CO)c2)CC[N@H+]1C ZINC000858423315 588953382 /nfs/dbraw/zinc/95/33/82/588953382.db2.gz CRWQHHQKAJDRRW-CMPLNLGQSA-N 2 1 235.331 1.469 20 0 BDADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000898203183 584090172 /nfs/dbraw/zinc/09/01/72/584090172.db2.gz GJNTYSFQVSPHLQ-MGPQQGTHSA-N 2 1 238.375 1.364 20 0 BDADMP O[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000898198782 584098119 /nfs/dbraw/zinc/09/81/19/584098119.db2.gz UNPKDNIMRWKHGN-CQSZACIVSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)CC[N@@H+]1C ZINC000898380767 584114737 /nfs/dbraw/zinc/11/47/37/584114737.db2.gz VBGBFXWMKBTYIC-RUZUBIRVSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)CC[N@H+]1C ZINC000898380767 584114738 /nfs/dbraw/zinc/11/47/38/584114738.db2.gz VBGBFXWMKBTYIC-RUZUBIRVSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866666707 584121543 /nfs/dbraw/zinc/12/15/43/584121543.db2.gz VFPHVHBOZLIKCD-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000866666706 584121624 /nfs/dbraw/zinc/12/16/24/584121624.db2.gz VFPHVHBOZLIKCD-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H]1CCC[NH2+]1 ZINC000873281531 584128826 /nfs/dbraw/zinc/12/88/26/584128826.db2.gz KTUHKJSWYGCKMJ-YHQUGGNUSA-N 2 1 238.375 1.674 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])N[C@H](C)C1CC1)C(C)C ZINC000899265178 584189372 /nfs/dbraw/zinc/18/93/72/584189372.db2.gz SHJJHSAWYCBUAN-LLVKDONJSA-N 2 1 240.395 1.629 20 0 BDADMP C[C@H](Cc1[nH]cc[nH+]1)OC[C@H]1CCCC[NH2+]C1 ZINC000899629476 584222045 /nfs/dbraw/zinc/22/20/45/584222045.db2.gz HYPUWNVMQRLUDU-NEPJUHHUSA-N 2 1 237.347 1.747 20 0 BDADMP O=C(NCc1c[nH]cn1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900780816 584350482 /nfs/dbraw/zinc/35/04/82/584350482.db2.gz NVWPGJSHAQOXED-RYUDHWBXSA-N 2 1 248.330 1.043 20 0 BDADMP O=C(NCc1cnc[nH]1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900780816 584350484 /nfs/dbraw/zinc/35/04/84/584350484.db2.gz NVWPGJSHAQOXED-RYUDHWBXSA-N 2 1 248.330 1.043 20 0 BDADMP O=C(NCc1cnc[nH]1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900780816 584350487 /nfs/dbraw/zinc/35/04/87/584350487.db2.gz NVWPGJSHAQOXED-RYUDHWBXSA-N 2 1 248.330 1.043 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902316171 584555401 /nfs/dbraw/zinc/55/54/01/584555401.db2.gz FGLZAIZUCLTQHC-NEPJUHHUSA-N 2 1 227.396 1.304 20 0 BDADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 ZINC000902407573 584575120 /nfs/dbraw/zinc/57/51/20/584575120.db2.gz QVQAAKHUAJGMOG-WDEREUQCSA-N 2 1 212.337 1.273 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391068 584582148 /nfs/dbraw/zinc/58/21/48/584582148.db2.gz SJJPKOMZEUAFDI-LBPRGKRZSA-N 3 1 227.396 1.354 20 0 BDADMP C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)C1C[NH2+]C1 ZINC000902429763 584595023 /nfs/dbraw/zinc/59/50/23/584595023.db2.gz GTPVWFFMFPNEON-LLVKDONJSA-N 2 1 248.374 1.381 20 0 BDADMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)c(C)n1 ZINC000902414039 584599488 /nfs/dbraw/zinc/59/94/88/584599488.db2.gz QZGDSNDPATWYCM-JTQLQIEISA-N 2 1 219.332 1.840 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000902447596 584604542 /nfs/dbraw/zinc/60/45/42/584604542.db2.gz ZZPOEGGFWCIORF-VXGBXAGGSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@H+]1CCC(C)(C)C1 ZINC000902456656 584610443 /nfs/dbraw/zinc/61/04/43/584610443.db2.gz QADQPTLNIXCPQH-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCCO1 ZINC000902464139 584612696 /nfs/dbraw/zinc/61/26/96/584612696.db2.gz CKMBSZPCKCFBOB-IYKVGLELSA-N 2 1 210.321 1.036 20 0 BDADMP C1C[C@@H]2C[C@@H](N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC[N@H+]2C1 ZINC000902470846 584616752 /nfs/dbraw/zinc/61/67/52/584616752.db2.gz HRZQXTNTZMTROF-ODXJTPSBSA-N 2 1 235.375 1.096 20 0 BDADMP Cc1ncccc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000902514049 584629593 /nfs/dbraw/zinc/62/95/93/584629593.db2.gz PLBLFLMPPDQKMM-BXUZGUMPSA-N 2 1 233.359 1.520 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000902514772 584629625 /nfs/dbraw/zinc/62/96/25/584629625.db2.gz PSMXGNQPCRQUBW-JTQLQIEISA-N 2 1 244.342 1.340 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902518525 584630863 /nfs/dbraw/zinc/63/08/63/584630863.db2.gz MDLXOWSJUNDWPA-XYJRDEOASA-N 2 1 224.348 1.142 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902520989 584631536 /nfs/dbraw/zinc/63/15/36/584631536.db2.gz QKOCORGQNJNVGS-REWJHTLYSA-N 2 1 232.327 1.114 20 0 BDADMP C(CN1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903126914 584729872 /nfs/dbraw/zinc/72/98/72/584729872.db2.gz FLULYHQTHDNWNU-LQDVMPOASA-N 2 1 249.402 1.440 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000903185117 584733418 /nfs/dbraw/zinc/73/34/18/584733418.db2.gz HPENKQFQIGMGDM-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903393341 584756421 /nfs/dbraw/zinc/75/64/21/584756421.db2.gz LILZTPGDSSNKKL-IJLUTSLNSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903393342 584756466 /nfs/dbraw/zinc/75/64/66/584756466.db2.gz LILZTPGDSSNKKL-UTUOFQBUSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000903431202 584761414 /nfs/dbraw/zinc/76/14/14/584761414.db2.gz IKAZRKOTIFACPA-AGIUHOORSA-N 2 1 238.375 1.343 20 0 BDADMP Cc1noc(C)c1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431515 584762378 /nfs/dbraw/zinc/76/23/78/584762378.db2.gz XUIZYWURVDYXEJ-NEPJUHHUSA-N 2 1 237.347 1.851 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000903422401 584764763 /nfs/dbraw/zinc/76/47/63/584764763.db2.gz BKORRUWXACGEHM-NSHDSACASA-N 2 1 234.347 1.469 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903424981 584764931 /nfs/dbraw/zinc/76/49/31/584764931.db2.gz NUNHEMHERVZNAB-WISYIIOYSA-N 2 1 244.329 1.962 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903424981 584764932 /nfs/dbraw/zinc/76/49/32/584764932.db2.gz NUNHEMHERVZNAB-WISYIIOYSA-N 2 1 244.329 1.962 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOCC2(CCC2)C1 ZINC000903459746 584766091 /nfs/dbraw/zinc/76/60/91/584766091.db2.gz YUBOQUPDPWBCHD-OLZOCXBDSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@H](c1ncccn1)[NH+]1CCC(CC[NH3+])CC1 ZINC000903460461 584766946 /nfs/dbraw/zinc/76/69/46/584766946.db2.gz CYZJEKFJXCUKIL-LLVKDONJSA-N 2 1 234.347 1.598 20 0 BDADMP C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464079 584767497 /nfs/dbraw/zinc/76/74/97/584767497.db2.gz YTUNUXHDOPTOQO-YIYPIFLZSA-N 2 1 240.391 1.325 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903445972 584769847 /nfs/dbraw/zinc/76/98/47/584769847.db2.gz PGXKSVSZMXIGRN-ZBBUEOHVSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903450343 584771838 /nfs/dbraw/zinc/77/18/38/584771838.db2.gz UGEJTQJGZOJRBF-VXGBXAGGSA-N 2 1 234.347 1.598 20 0 BDADMP c1nnsc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903451532 584772368 /nfs/dbraw/zinc/77/23/68/584772368.db2.gz AXLVDNNXBPDKTO-UHFFFAOYSA-N 2 1 238.360 1.114 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1ccns1 ZINC000903455557 584774340 /nfs/dbraw/zinc/77/43/40/584774340.db2.gz ZUMYBPPEWZWEIR-FOGDFJRCSA-N 2 1 239.388 1.662 20 0 BDADMP c1cncc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903472400 584776104 /nfs/dbraw/zinc/77/61/04/584776104.db2.gz YJXOPPDUUWSTBQ-CYBMUJFWSA-N 2 1 231.343 1.498 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903476591 584777493 /nfs/dbraw/zinc/77/74/93/584777493.db2.gz BPXRHCCCQHQKDV-MVCUBJFGSA-N 2 1 230.302 1.699 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903476591 584777495 /nfs/dbraw/zinc/77/74/95/584777495.db2.gz BPXRHCCCQHQKDV-MVCUBJFGSA-N 2 1 230.302 1.699 20 0 BDADMP C[C@@H](c1ncccn1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498493 584780183 /nfs/dbraw/zinc/78/01/83/584780183.db2.gz IEPCBHKKBVJQKM-GRYCIOLGSA-N 2 1 234.347 1.454 20 0 BDADMP OC[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903490915 584781030 /nfs/dbraw/zinc/78/10/30/584781030.db2.gz MPDYGIKQGWNSCH-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP COCCCCC[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000903556361 584783084 /nfs/dbraw/zinc/78/30/84/584783084.db2.gz WLPIFWDVSQCWOZ-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP COCCCCC[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000903556361 584783085 /nfs/dbraw/zinc/78/30/85/584783085.db2.gz WLPIFWDVSQCWOZ-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]1C ZINC000903731614 584793002 /nfs/dbraw/zinc/79/30/02/584793002.db2.gz BVSZPPKKSLJLMW-RFGFWPKPSA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@@H+](CCCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903732234 584793135 /nfs/dbraw/zinc/79/31/35/584793135.db2.gz DLRSMXYJFOZPCT-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP FCc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903745892 584794438 /nfs/dbraw/zinc/79/44/38/584794438.db2.gz BKPFEYNIDCWYFQ-OKILXGFUSA-N 2 1 234.318 1.807 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903749904 584794538 /nfs/dbraw/zinc/79/45/38/584794538.db2.gz RWIYYNXHZFERBV-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903749904 584794540 /nfs/dbraw/zinc/79/45/40/584794540.db2.gz RWIYYNXHZFERBV-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000903752053 584795696 /nfs/dbraw/zinc/79/56/96/584795696.db2.gz PWFZDZYFULCMKA-ZDUSSCGKSA-N 2 1 236.359 1.561 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903743752 584796648 /nfs/dbraw/zinc/79/66/48/584796648.db2.gz MXUWPXHURJLJCC-JQWIXIFHSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903743752 584796649 /nfs/dbraw/zinc/79/66/49/584796649.db2.gz MXUWPXHURJLJCC-JQWIXIFHSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903760147 584797075 /nfs/dbraw/zinc/79/70/75/584797075.db2.gz VFIAIARRAQOUAE-HZSPNIEDSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903760147 584797076 /nfs/dbraw/zinc/79/70/76/584797076.db2.gz VFIAIARRAQOUAE-HZSPNIEDSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903760148 584797157 /nfs/dbraw/zinc/79/71/57/584797157.db2.gz VFIAIARRAQOUAE-MCIONIFRSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903760148 584797158 /nfs/dbraw/zinc/79/71/58/584797158.db2.gz VFIAIARRAQOUAE-MCIONIFRSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903760149 584797327 /nfs/dbraw/zinc/79/73/27/584797327.db2.gz VFIAIARRAQOUAE-MGPQQGTHSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903760149 584797328 /nfs/dbraw/zinc/79/73/28/584797328.db2.gz VFIAIARRAQOUAE-MGPQQGTHSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H](O)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767192 584797824 /nfs/dbraw/zinc/79/78/24/584797824.db2.gz FFNNBRUJRLMCHR-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000903768774 584798205 /nfs/dbraw/zinc/79/82/05/584798205.db2.gz QMKDEAXLJAUIQU-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000903782271 584800429 /nfs/dbraw/zinc/80/04/29/584800429.db2.gz ISXOBPKQVZAFMK-MNOVXSKESA-N 2 1 240.326 1.068 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCc1cn[nH]c1 ZINC000903804232 584802607 /nfs/dbraw/zinc/80/26/07/584802607.db2.gz BOJFWQPZVUWDPR-OLZOCXBDSA-N 2 1 234.347 1.156 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCc1cn[nH]c1 ZINC000903804232 584802609 /nfs/dbraw/zinc/80/26/09/584802609.db2.gz BOJFWQPZVUWDPR-OLZOCXBDSA-N 2 1 234.347 1.156 20 0 BDADMP C[C@]12C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825709 584804297 /nfs/dbraw/zinc/80/42/97/584804297.db2.gz CUIKJJPYVSEFSO-SBJFKYEJSA-N 2 1 234.387 1.964 20 0 BDADMP COc1ccc([C@H]2CCC[N@@H+]2CCC[NH3+])nc1 ZINC000903833432 584806157 /nfs/dbraw/zinc/80/61/57/584806157.db2.gz WMGXJQOXEJILDV-CYBMUJFWSA-N 2 1 235.331 1.576 20 0 BDADMP COc1ccc([C@H]2CCC[N@H+]2CCC[NH3+])nc1 ZINC000903833432 584806159 /nfs/dbraw/zinc/80/61/59/584806159.db2.gz WMGXJQOXEJILDV-CYBMUJFWSA-N 2 1 235.331 1.576 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000903832986 584806379 /nfs/dbraw/zinc/80/63/79/584806379.db2.gz UVXHXNQWPVXLBA-LLVKDONJSA-N 2 1 239.388 1.617 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000903840492 584807044 /nfs/dbraw/zinc/80/70/44/584807044.db2.gz RILNTFGKSXCMIB-RYUDHWBXSA-N 2 1 232.343 1.300 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccns1)C2 ZINC000903840724 584807152 /nfs/dbraw/zinc/80/71/52/584807152.db2.gz TZPKJIDEQPYVJP-DCAQKATOSA-N 2 1 237.372 1.497 20 0 BDADMP NC[C@@]12CC[C@@H]1CC[N@H+]2CCCCCCC[NH3+] ZINC000903856640 584808510 /nfs/dbraw/zinc/80/85/10/584808510.db2.gz AWRVPLXTJXSQGR-KGLIPLIRSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856640 584808511 /nfs/dbraw/zinc/80/85/11/584808511.db2.gz AWRVPLXTJXSQGR-KGLIPLIRSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856640 584808512 /nfs/dbraw/zinc/80/85/12/584808512.db2.gz AWRVPLXTJXSQGR-KGLIPLIRSA-N 3 1 239.407 1.709 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903855496 584808595 /nfs/dbraw/zinc/80/85/95/584808595.db2.gz OKCYNYCQWOPVST-MNOVXSKESA-N 2 1 214.378 1.553 20 0 BDADMP CCSCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855496 584808596 /nfs/dbraw/zinc/80/85/96/584808596.db2.gz OKCYNYCQWOPVST-MNOVXSKESA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855496 584808597 /nfs/dbraw/zinc/80/85/97/584808597.db2.gz OKCYNYCQWOPVST-MNOVXSKESA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855496 584808598 /nfs/dbraw/zinc/80/85/98/584808598.db2.gz OKCYNYCQWOPVST-MNOVXSKESA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903855497 584808964 /nfs/dbraw/zinc/80/89/64/584808964.db2.gz OKCYNYCQWOPVST-QWRGUYRKSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855497 584808966 /nfs/dbraw/zinc/80/89/66/584808966.db2.gz OKCYNYCQWOPVST-QWRGUYRKSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855497 584808968 /nfs/dbraw/zinc/80/89/68/584808968.db2.gz OKCYNYCQWOPVST-QWRGUYRKSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855497 584808970 /nfs/dbraw/zinc/80/89/70/584808970.db2.gz OKCYNYCQWOPVST-QWRGUYRKSA-N 2 1 214.378 1.553 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903856573 584809105 /nfs/dbraw/zinc/80/91/05/584809105.db2.gz ADONPZXHGNCRAC-LOWDOPEQSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856573 584809106 /nfs/dbraw/zinc/80/91/06/584809106.db2.gz ADONPZXHGNCRAC-LOWDOPEQSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856573 584809107 /nfs/dbraw/zinc/80/91/07/584809107.db2.gz ADONPZXHGNCRAC-LOWDOPEQSA-N 2 1 224.348 1.225 20 0 BDADMP CCn1cc(CC[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cn1 ZINC000903859630 584810690 /nfs/dbraw/zinc/81/06/90/584810690.db2.gz OEXODPQPIICXPM-KBPBESRZSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cn1 ZINC000903859630 584810691 /nfs/dbraw/zinc/81/06/91/584810691.db2.gz OEXODPQPIICXPM-KBPBESRZSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cn1 ZINC000903859633 584810842 /nfs/dbraw/zinc/81/08/42/584810842.db2.gz OEXODPQPIICXPM-KGLIPLIRSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cn1 ZINC000903859633 584810844 /nfs/dbraw/zinc/81/08/44/584810844.db2.gz OEXODPQPIICXPM-KGLIPLIRSA-N 2 1 248.374 1.259 20 0 BDADMP COC(=O)CCCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903860875 584812297 /nfs/dbraw/zinc/81/22/97/584812297.db2.gz UNANYRMBPRFUJZ-WCQYABFASA-N 2 1 240.347 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903860875 584812298 /nfs/dbraw/zinc/81/22/98/584812298.db2.gz UNANYRMBPRFUJZ-WCQYABFASA-N 2 1 240.347 1.143 20 0 BDADMP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCCO1 ZINC000903870979 584814570 /nfs/dbraw/zinc/81/45/70/584814570.db2.gz QJGUDQINDQXXSB-STQMWFEESA-N 2 1 224.348 1.383 20 0 BDADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCCO1 ZINC000903870979 584814572 /nfs/dbraw/zinc/81/45/72/584814572.db2.gz QJGUDQINDQXXSB-STQMWFEESA-N 2 1 224.348 1.383 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872733 584815290 /nfs/dbraw/zinc/81/52/90/584815290.db2.gz AYNBZVPKVQCFFW-RFLLOBDJSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@]1(CO)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903908669 584821534 /nfs/dbraw/zinc/82/15/34/584821534.db2.gz NJUHAVCQFXYKMT-GSPSYOTPSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC(O)C1 ZINC000903912286 584822423 /nfs/dbraw/zinc/82/24/23/584822423.db2.gz CQGTWFMLGZGCAG-UHFFFAOYSA-N 2 1 246.354 1.287 20 0 BDADMP CC1(C)C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC000903914034 584822553 /nfs/dbraw/zinc/82/25/53/584822553.db2.gz SUIVWGSDTBKEHE-PSEXLTFBSA-N 2 1 238.375 1.220 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918825 584822874 /nfs/dbraw/zinc/82/28/74/584822874.db2.gz IVSLMSVUIMXKMZ-WVMKXHBISA-N 2 1 237.391 1.247 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903939274 584823592 /nfs/dbraw/zinc/82/35/92/584823592.db2.gz FGFVBAYEYZUQFY-JHJVBQTASA-N 3 1 239.407 1.624 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932810 584824786 /nfs/dbraw/zinc/82/47/86/584824786.db2.gz WBKNGIMSPXGKBU-NXEZZACHSA-N 2 1 243.301 1.585 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903917982 584826822 /nfs/dbraw/zinc/82/68/22/584826822.db2.gz POCQDSBBTINSAL-JTQLQIEISA-N 2 1 247.333 1.044 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903917982 584826823 /nfs/dbraw/zinc/82/68/23/584826823.db2.gz POCQDSBBTINSAL-JTQLQIEISA-N 2 1 247.333 1.044 20 0 BDADMP N[C@@H](CC(F)F)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903917982 584826824 /nfs/dbraw/zinc/82/68/24/584826824.db2.gz POCQDSBBTINSAL-JTQLQIEISA-N 2 1 247.333 1.044 20 0 BDADMP N[C@@H](CC(F)F)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903917982 584826825 /nfs/dbraw/zinc/82/68/25/584826825.db2.gz POCQDSBBTINSAL-JTQLQIEISA-N 2 1 247.333 1.044 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903918198 584827329 /nfs/dbraw/zinc/82/73/29/584827329.db2.gz UWKVBMGTUZNBAZ-IWNKAIHXSA-N 3 1 249.402 1.201 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903918198 584827330 /nfs/dbraw/zinc/82/73/30/584827330.db2.gz UWKVBMGTUZNBAZ-IWNKAIHXSA-N 3 1 249.402 1.201 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959837 584827426 /nfs/dbraw/zinc/82/74/26/584827426.db2.gz PQTDOZSRZWUAQD-AWEZNQCLSA-N 2 1 248.374 1.684 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959837 584827428 /nfs/dbraw/zinc/82/74/28/584827428.db2.gz PQTDOZSRZWUAQD-AWEZNQCLSA-N 2 1 248.374 1.684 20 0 BDADMP CCC1([NH3+])CC[NH+](CC2(F)CC2)CC1 ZINC000903946452 584829415 /nfs/dbraw/zinc/82/94/15/584829415.db2.gz RZSURVYJFHKFQE-UHFFFAOYSA-N 2 1 200.301 1.692 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903954037 584831693 /nfs/dbraw/zinc/83/16/93/584831693.db2.gz OICQEDRPXKGRFP-MNOVXSKESA-N 2 1 212.337 1.225 20 0 BDADMP FC1(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956950 584832146 /nfs/dbraw/zinc/83/21/46/584832146.db2.gz NYERCWARNZFVBC-QMMMGPOBSA-N 2 1 222.254 1.323 20 0 BDADMP CCN1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903973877 584832728 /nfs/dbraw/zinc/83/27/28/584832728.db2.gz HMQLNCIPTCOXEX-CHWSQXEVSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000903963517 584833601 /nfs/dbraw/zinc/83/36/01/584833601.db2.gz ADJCVSZBZAPHHK-OPRDCNLKSA-N 2 1 200.351 1.080 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903964355 584834293 /nfs/dbraw/zinc/83/42/93/584834293.db2.gz NXSYRAZIUFKQAC-YRGRVCCFSA-N 2 1 218.344 1.988 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000904297378 584860391 /nfs/dbraw/zinc/86/03/91/584860391.db2.gz KQNPVRIPXDJSMK-YIYPIFLZSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000904300178 584861616 /nfs/dbraw/zinc/86/16/16/584861616.db2.gz XYORGWJFUOBPBA-CQSZACIVSA-N 3 1 233.359 1.316 20 0 BDADMP [NH3+]Cc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000904300178 584861617 /nfs/dbraw/zinc/86/16/17/584861617.db2.gz XYORGWJFUOBPBA-CQSZACIVSA-N 2 1 233.359 1.316 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904302068 584862063 /nfs/dbraw/zinc/86/20/63/584862063.db2.gz UTIWNODWIWFPLO-FZMZJTMJSA-N 3 1 233.359 1.314 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H]1CO ZINC000904312033 584862600 /nfs/dbraw/zinc/86/26/00/584862600.db2.gz DRTJHBLPIGXIJA-RYUDHWBXSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1CO ZINC000904312033 584862601 /nfs/dbraw/zinc/86/26/01/584862601.db2.gz DRTJHBLPIGXIJA-RYUDHWBXSA-N 2 1 228.380 1.597 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC000904337008 584863245 /nfs/dbraw/zinc/86/32/45/584863245.db2.gz MGDRRWCSOBJRIC-UPJWGTAASA-N 2 1 231.343 1.608 20 0 BDADMP CN(CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904317926 584863943 /nfs/dbraw/zinc/86/39/43/584863943.db2.gz JXDILODIBPTAIS-OKILXGFUSA-N 2 1 247.386 1.792 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322569 584864383 /nfs/dbraw/zinc/86/43/83/584864383.db2.gz DEKZSFLLCSPWAS-IGQOVBAYSA-N 3 1 239.407 1.386 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322569 584864385 /nfs/dbraw/zinc/86/43/85/584864385.db2.gz DEKZSFLLCSPWAS-IGQOVBAYSA-N 3 1 239.407 1.386 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322569 584864386 /nfs/dbraw/zinc/86/43/86/584864386.db2.gz DEKZSFLLCSPWAS-IGQOVBAYSA-N 3 1 239.407 1.386 20 0 BDADMP CCN1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322569 584864388 /nfs/dbraw/zinc/86/43/88/584864388.db2.gz DEKZSFLLCSPWAS-IGQOVBAYSA-N 2 1 239.407 1.386 20 0 BDADMP CCN1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322569 584864389 /nfs/dbraw/zinc/86/43/89/584864389.db2.gz DEKZSFLLCSPWAS-IGQOVBAYSA-N 2 1 239.407 1.386 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904323290 584864407 /nfs/dbraw/zinc/86/44/07/584864407.db2.gz NSQXFFVFGXJFPR-WUHRBBMRSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000904323290 584864408 /nfs/dbraw/zinc/86/44/08/584864408.db2.gz NSQXFFVFGXJFPR-WUHRBBMRSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000904323290 584864410 /nfs/dbraw/zinc/86/44/10/584864410.db2.gz NSQXFFVFGXJFPR-WUHRBBMRSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[NH+]1C ZINC000904323290 584864412 /nfs/dbraw/zinc/86/44/12/584864412.db2.gz NSQXFFVFGXJFPR-WUHRBBMRSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[NH+]1C ZINC000904323290 584864413 /nfs/dbraw/zinc/86/44/13/584864413.db2.gz NSQXFFVFGXJFPR-WUHRBBMRSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@H](C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)c1nccs1 ZINC000904331249 584865799 /nfs/dbraw/zinc/86/57/99/584865799.db2.gz GUYXOKHMTFIUMY-GARJFASQSA-N 2 1 239.388 1.916 20 0 BDADMP C[C@H](C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)c1nccs1 ZINC000904331250 584866202 /nfs/dbraw/zinc/86/62/02/584866202.db2.gz GUYXOKHMTFIUMY-MXWKQRLJSA-N 2 1 239.388 1.916 20 0 BDADMP CN(C)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904335758 584866817 /nfs/dbraw/zinc/86/68/17/584866817.db2.gz BLIGXJMEDHUNEB-BETUJISGSA-N 2 1 239.407 1.530 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@]1(C)CO ZINC000904341529 584867284 /nfs/dbraw/zinc/86/72/84/584867284.db2.gz UCDXAQVADDDFGO-OCCSQVGLSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@]1(C)CO ZINC000904341529 584867285 /nfs/dbraw/zinc/86/72/85/584867285.db2.gz UCDXAQVADDDFGO-OCCSQVGLSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C2CC2)O1 ZINC000904342344 584867494 /nfs/dbraw/zinc/86/74/94/584867494.db2.gz DQYVGDGOYRRUQZ-VCDKRKBESA-N 2 1 224.348 1.223 20 0 BDADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340925 584867581 /nfs/dbraw/zinc/86/75/81/584867581.db2.gz NZWRNMBHRPGALK-RVMXOQNASA-N 2 1 226.364 1.349 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3COCC[C@@H]32)C1 ZINC000904344972 584867886 /nfs/dbraw/zinc/86/78/86/584867886.db2.gz BZNZBLZPDRXRRG-NDBYEHHHSA-N 2 1 224.348 1.225 20 0 BDADMP CC1(C)C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346512 584868556 /nfs/dbraw/zinc/86/85/56/584868556.db2.gz SHPQFLCEELKBDV-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1O ZINC000904345272 584868580 /nfs/dbraw/zinc/86/85/80/584868580.db2.gz BXLGNHCSDRRPFW-RNJOBUHISA-N 2 1 240.391 1.453 20 0 BDADMP C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000904355478 584871404 /nfs/dbraw/zinc/87/14/04/584871404.db2.gz ODQFXRSJFKURAQ-SMDDNHRTSA-N 2 1 233.359 1.233 20 0 BDADMP C[C@]1(C[NH2+]CCC[NH2+]C2CC2)CCC[NH2+]C1 ZINC000904357713 584872137 /nfs/dbraw/zinc/87/21/37/584872137.db2.gz ANISPYPCOYGPRL-ZDUSSCGKSA-N 3 1 225.380 1.108 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)C1 ZINC000904372095 584873058 /nfs/dbraw/zinc/87/30/58/584873058.db2.gz YMFCSVGSZCGGEZ-BEAPCOKYSA-N 2 1 246.354 1.532 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904373551 584873950 /nfs/dbraw/zinc/87/39/50/584873950.db2.gz SYNLNTRVAVDNEE-KVSVUVNWSA-N 3 1 225.380 1.029 20 0 BDADMP Cc1ccc2nc(C[NH2+]C[C@H]3C[C@@H]([NH3+])C3)[nH]c2c1 ZINC000904364566 584874999 /nfs/dbraw/zinc/87/49/99/584874999.db2.gz MVPHOQVKORQYNK-PHIMTYICSA-N 2 1 244.342 1.698 20 0 BDADMP CCOC(=O)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000904377759 584876256 /nfs/dbraw/zinc/87/62/56/584876256.db2.gz YEZBCLGEHWKJRO-TXEJJXNPSA-N 2 1 242.363 1.387 20 0 BDADMP N[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1F ZINC000904379004 584876823 /nfs/dbraw/zinc/87/68/23/584876823.db2.gz PJJNZQJNZCKZNG-CHWSQXEVSA-N 2 1 237.322 1.016 20 0 BDADMP N[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1F ZINC000904379004 584876824 /nfs/dbraw/zinc/87/68/24/584876824.db2.gz PJJNZQJNZCKZNG-CHWSQXEVSA-N 2 1 237.322 1.016 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@]12C[C@H]1COC2 ZINC000904385889 584877675 /nfs/dbraw/zinc/87/76/75/584877675.db2.gz IZUUPXOIRDFVRX-GVXVVHGQSA-N 2 1 226.364 1.519 20 0 BDADMP Nc1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CCO2 ZINC000904385994 584877886 /nfs/dbraw/zinc/87/78/86/584877886.db2.gz MFUBQZYHWLOPOH-GSJFWJNXSA-N 2 1 247.342 1.201 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000904385694 584878086 /nfs/dbraw/zinc/87/80/86/584878086.db2.gz BTIUWVKLSAPSCT-MJBXVCDLSA-N 3 1 237.391 1.189 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@H]1C[NH3+] ZINC000904410097 584879294 /nfs/dbraw/zinc/87/92/94/584879294.db2.gz AJUSPKUIMTYGGN-YPMHNXCESA-N 2 1 234.343 1.809 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cocn2)CC[C@H]1C[NH3+] ZINC000904411969 584879514 /nfs/dbraw/zinc/87/95/14/584879514.db2.gz YKDQRANDJBWHCO-UWVGGRQHSA-N 2 1 209.293 1.091 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000904421021 584882280 /nfs/dbraw/zinc/88/22/80/584882280.db2.gz LLWLWZUJIBSYSN-NWDGAFQWSA-N 2 1 247.342 1.137 20 0 BDADMP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cs1 ZINC000904420998 584882371 /nfs/dbraw/zinc/88/23/71/584882371.db2.gz KVXFGUCVIOVBQX-NWDGAFQWSA-N 2 1 222.357 1.789 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2cc(N)cc(F)c2)CC1 ZINC000115470466 585015047 /nfs/dbraw/zinc/01/50/47/585015047.db2.gz WMXJEQQYYUTQOB-UHFFFAOYSA-N 2 1 237.322 1.592 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000738311684 585042409 /nfs/dbraw/zinc/04/24/09/585042409.db2.gz IEJDPEBYPJMXHM-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP CN(CCF)[C@@H]1CCC[N@H+](CCF)CC1 ZINC000754352015 585282694 /nfs/dbraw/zinc/28/26/94/585282694.db2.gz OPXGCVMVZJPYIM-LLVKDONJSA-N 2 1 220.307 1.712 20 0 BDADMP CN(CCF)[C@@H]1CCC[N@@H+](CCF)CC1 ZINC000754352015 585282695 /nfs/dbraw/zinc/28/26/95/585282695.db2.gz OPXGCVMVZJPYIM-LLVKDONJSA-N 2 1 220.307 1.712 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCCCO)CC1 ZINC000759976921 585383709 /nfs/dbraw/zinc/38/37/09/585383709.db2.gz NANVBWDDFJPMRD-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP CN(CC[NH+]1CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000760842729 585399197 /nfs/dbraw/zinc/39/91/97/585399197.db2.gz ACSCSYOCLUUVSG-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CC[NH+]2CCCC2)C[C@@H]1C ZINC000766254402 585499996 /nfs/dbraw/zinc/49/99/96/585499996.db2.gz QAAQCXOZTDBHST-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000766271875 585500168 /nfs/dbraw/zinc/50/01/68/585500168.db2.gz GTDXRIDGWBNNEH-MGPQQGTHSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1CCC[NH+]1CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000766271875 585500169 /nfs/dbraw/zinc/50/01/69/585500169.db2.gz GTDXRIDGWBNNEH-MGPQQGTHSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1CN(CC[NH+]2CCCC2)[C@@H](C)C[N@H+]1C ZINC000768770510 585543117 /nfs/dbraw/zinc/54/31/17/585543117.db2.gz HNIMBBVEVZZZMV-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc2c1COC2 ZINC000770393592 585573907 /nfs/dbraw/zinc/57/39/07/585573907.db2.gz DOWNUTFHENIGRP-GJZGRUSLSA-N 2 1 244.338 1.368 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@@H](C)C1 ZINC000777119720 585708809 /nfs/dbraw/zinc/70/88/09/585708809.db2.gz CQQROETWMFFOTO-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000779341643 585751790 /nfs/dbraw/zinc/75/17/90/585751790.db2.gz NYNXDXYXGKTALW-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000779341643 585751791 /nfs/dbraw/zinc/75/17/91/585751791.db2.gz NYNXDXYXGKTALW-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCO)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779342020 585751814 /nfs/dbraw/zinc/75/18/14/585751814.db2.gz QBSWFSFSVLHYCF-HZSPNIEDSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCO ZINC000779397338 585753285 /nfs/dbraw/zinc/75/32/85/585753285.db2.gz ADVJVLGWKBHXGP-MNOVXSKESA-N 2 1 225.336 1.188 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCO ZINC000779401046 585753359 /nfs/dbraw/zinc/75/33/59/585753359.db2.gz SFCADWUYMDEZOG-GHMZBOCLSA-N 2 1 202.342 1.077 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCO ZINC000779401046 585753360 /nfs/dbraw/zinc/75/33/60/585753360.db2.gz SFCADWUYMDEZOG-GHMZBOCLSA-N 2 1 202.342 1.077 20 0 BDADMP Cc1cc(NCC[N@@H+]2CCC[C@@H]2C)nc(C)n1 ZINC000780547381 585779990 /nfs/dbraw/zinc/77/99/90/585779990.db2.gz FTPJCYXNAIWBJM-NSHDSACASA-N 2 1 234.347 1.990 20 0 BDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000788471067 585925289 /nfs/dbraw/zinc/92/52/89/585925289.db2.gz SSKLKAVAPQUZJZ-NEPJUHHUSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(C)(C)O ZINC000795156062 586069701 /nfs/dbraw/zinc/06/97/01/586069701.db2.gz BGIBPNAZHJNSIU-LBPRGKRZSA-N 2 1 249.358 1.363 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](CCF)C2)CC1 ZINC000799178368 586165632 /nfs/dbraw/zinc/16/56/32/586165632.db2.gz NTHZHRAMBXWCMA-UHFFFAOYSA-N 2 1 214.328 1.764 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCC=CO1 ZINC000809766383 586518836 /nfs/dbraw/zinc/51/88/36/586518836.db2.gz XHWAHMLBQUSTEE-RDBSUJKOSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCC=CO1 ZINC000809766383 586518838 /nfs/dbraw/zinc/51/88/38/586518838.db2.gz XHWAHMLBQUSTEE-RDBSUJKOSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1CCC=CO1 ZINC000809766383 586518840 /nfs/dbraw/zinc/51/88/40/586518840.db2.gz XHWAHMLBQUSTEE-RDBSUJKOSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000809766383 586518841 /nfs/dbraw/zinc/51/88/41/586518841.db2.gz XHWAHMLBQUSTEE-RDBSUJKOSA-N 2 1 238.375 1.951 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815145563 586670203 /nfs/dbraw/zinc/67/02/03/586670203.db2.gz YRASEMYZGWLUPB-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815145563 586670205 /nfs/dbraw/zinc/67/02/05/586670205.db2.gz YRASEMYZGWLUPB-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815145563 586670206 /nfs/dbraw/zinc/67/02/06/586670206.db2.gz YRASEMYZGWLUPB-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)[nH]n1 ZINC000817894405 586833590 /nfs/dbraw/zinc/83/35/90/586833590.db2.gz YLNHCMCEUBFVGX-GXFFZTMASA-N 2 1 236.363 1.450 20 0 BDADMP CSC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817897906 586835075 /nfs/dbraw/zinc/83/50/75/586835075.db2.gz APFOJIYTDNICAK-ZJUUUORDSA-N 2 1 216.394 1.716 20 0 BDADMP Cc1cccc(F)c1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817897475 586835161 /nfs/dbraw/zinc/83/51/61/586835161.db2.gz QHWGNGHUPMLOAB-SNVBAGLBSA-N 2 1 222.307 1.832 20 0 BDADMP COc1cc(C)c([C@H](C)[NH2+]CC[NH3+])cc1C ZINC000817935437 586843316 /nfs/dbraw/zinc/84/33/16/586843316.db2.gz VWOVRHWJXDFLEA-NSHDSACASA-N 2 1 222.332 1.921 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817941326 586844937 /nfs/dbraw/zinc/84/49/37/586844937.db2.gz SLXUZSZGGXFNER-VIFPVBQESA-N 2 1 227.739 1.995 20 0 BDADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)C[NH3+] ZINC000817969661 586856645 /nfs/dbraw/zinc/85/66/45/586856645.db2.gz GFMHMOWJVUCQCX-DTWKUNHWSA-N 2 1 204.383 1.843 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)n(C)n1 ZINC000817984750 586862570 /nfs/dbraw/zinc/86/25/70/586862570.db2.gz YTNFTAFJNAJCGT-LLVKDONJSA-N 2 1 236.363 1.521 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819151913 586933658 /nfs/dbraw/zinc/93/36/58/586933658.db2.gz HSICJGYVBPFAKW-TZMCWYRMSA-N 2 1 240.391 1.325 20 0 BDADMP OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820806055 587073778 /nfs/dbraw/zinc/07/37/78/587073778.db2.gz ZEVCBMURYYCJEX-VGPLMAKISA-N 2 1 224.348 1.116 20 0 BDADMP CO[C@H]1CC[C@H]([N@@H+](C)CCCn2ccnc2)C1 ZINC000821396747 587116389 /nfs/dbraw/zinc/11/63/89/587116389.db2.gz UVKHZHIPGREVRE-STQMWFEESA-N 2 1 237.347 1.773 20 0 BDADMP [NH3+]CCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000841007339 587934603 /nfs/dbraw/zinc/93/46/03/587934603.db2.gz PHILTCYFODETEY-GJZGRUSLSA-N 2 1 248.370 1.923 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1cccnc1Cl ZINC000841048359 587939426 /nfs/dbraw/zinc/93/94/26/587939426.db2.gz HWQCOKAEMYGBKR-QMMMGPOBSA-N 2 1 213.712 1.419 20 0 BDADMP COCCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000841064214 587941091 /nfs/dbraw/zinc/94/10/91/587941091.db2.gz VSXPVSBJFWLATM-OLZOCXBDSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@H](C)CN1 ZINC000842473910 588029130 /nfs/dbraw/zinc/02/91/30/588029130.db2.gz RZFMULWJROFSMV-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]1CN(CCCCCCC[NH3+])[C@H](C)C[NH2+]1 ZINC000842473910 588029131 /nfs/dbraw/zinc/02/91/31/588029131.db2.gz RZFMULWJROFSMV-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842476011 588029939 /nfs/dbraw/zinc/02/99/39/588029939.db2.gz DKEPQYFNUIKSPF-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCCCCCC[NH3+] ZINC000842476917 588029984 /nfs/dbraw/zinc/02/99/84/588029984.db2.gz XBTAFWUMHLZARX-UONOGXRCSA-N 2 1 241.423 1.920 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843048459 588075765 /nfs/dbraw/zinc/07/57/65/588075765.db2.gz XMHHYRUYJZTTQI-LBPRGKRZSA-N 2 1 232.327 1.497 20 0 BDADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nc1 ZINC000843047782 588075832 /nfs/dbraw/zinc/07/58/32/588075832.db2.gz USJPZJLNXRWWPX-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)nc1 ZINC000843047782 588075834 /nfs/dbraw/zinc/07/58/34/588075834.db2.gz USJPZJLNXRWWPX-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP C[C@@H]([NH2+]CCCCCC[NH3+])c1c[nH+]ccc1N ZINC000843344263 588101413 /nfs/dbraw/zinc/10/14/13/588101413.db2.gz SLRLAJBKRGUFDX-LLVKDONJSA-N 3 1 236.363 1.664 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343708 588101632 /nfs/dbraw/zinc/10/16/32/588101632.db2.gz FSOPBGDOCSKRHH-NWDGAFQWSA-N 3 1 213.369 1.093 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347219 588101873 /nfs/dbraw/zinc/10/18/73/588101873.db2.gz GBWLYUBBNZPEAI-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP Cn1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1=O ZINC000843354659 588103211 /nfs/dbraw/zinc/10/32/11/588103211.db2.gz AUGWOTZZMMHZEI-UHFFFAOYSA-N 2 1 249.358 1.087 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCCCCC[NH3+] ZINC000843362307 588104399 /nfs/dbraw/zinc/10/43/99/588104399.db2.gz CMDHCJPXVIAIHC-QWHCGFSZSA-N 3 1 227.396 1.565 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843387042 588105410 /nfs/dbraw/zinc/10/54/10/588105410.db2.gz OAJCNBXGBAPRDE-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843387042 588105412 /nfs/dbraw/zinc/10/54/12/588105412.db2.gz OAJCNBXGBAPRDE-KBPBESRZSA-N 2 1 239.407 1.579 20 0 BDADMP CC[N@@H+](CCc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000844221819 588174361 /nfs/dbraw/zinc/17/43/61/588174361.db2.gz MHTLNGREVRGLBJ-ZDUSSCGKSA-N 2 1 233.359 1.556 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC2(CCCC2)C1 ZINC000846218854 588259777 /nfs/dbraw/zinc/25/97/77/588259777.db2.gz YYJBZAZCJNAQTJ-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846217704 588260485 /nfs/dbraw/zinc/26/04/85/588260485.db2.gz MMLLYFWTFRKPJX-NEPJUHHUSA-N 3 1 213.369 1.175 20 0 BDADMP CC[N@@H+](CCCCCC[NH3+])Cc1cnn(C)c1 ZINC000846220962 588261245 /nfs/dbraw/zinc/26/12/45/588261245.db2.gz FEVJVMFHBQUCOE-UHFFFAOYSA-N 2 1 238.379 1.761 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@@H]1C[C@@H]1c1ccccc1 ZINC000846222010 588261477 /nfs/dbraw/zinc/26/14/77/588261477.db2.gz KHCDUOHRJVKMOI-CHWSQXEVSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCCC[NH3+] ZINC000846706952 588283890 /nfs/dbraw/zinc/28/38/90/588283890.db2.gz BPGKIPRMXVCUQM-QWHCGFSZSA-N 3 1 227.396 1.707 20 0 BDADMP CCNC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000848981633 588423773 /nfs/dbraw/zinc/42/37/73/588423773.db2.gz HNLBVOAJWMPTBF-CYBMUJFWSA-N 2 1 248.374 1.293 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000848981010 588423794 /nfs/dbraw/zinc/42/37/94/588423794.db2.gz VCHSIAXICASTTD-GHMZBOCLSA-N 2 1 226.368 1.383 20 0 BDADMP CCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848987008 588425925 /nfs/dbraw/zinc/42/59/25/588425925.db2.gz DOKVTPDBIKHSSY-RYUDHWBXSA-N 2 1 240.395 1.773 20 0 BDADMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC1CCC1 ZINC000848992627 588427868 /nfs/dbraw/zinc/42/78/68/588427868.db2.gz NSJQVHYHUCPUDE-SNVBAGLBSA-N 2 1 236.363 1.137 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848996158 588429321 /nfs/dbraw/zinc/42/93/21/588429321.db2.gz IABCVJHQYJLBLH-LLVKDONJSA-N 2 1 238.379 1.383 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])Nc1ccccn1)C(C)C ZINC000849000969 588430832 /nfs/dbraw/zinc/43/08/32/588430832.db2.gz JENZTKQEMXGLGC-UHFFFAOYSA-N 2 1 249.362 1.748 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@H](C)CC ZINC000849005557 588432766 /nfs/dbraw/zinc/43/27/66/588432766.db2.gz JNDVZDFGKZSOGU-LLVKDONJSA-N 2 1 228.384 1.631 20 0 BDADMP Cc1ccc(CNC(=[NH2+])NCC[NH+]2CCC2)cc1 ZINC000849014608 588436354 /nfs/dbraw/zinc/43/63/54/588436354.db2.gz CCPBBMZEWFRKNB-UHFFFAOYSA-N 2 1 246.358 1.315 20 0 BDADMP CCNC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000849023196 588439664 /nfs/dbraw/zinc/43/96/64/588439664.db2.gz WSNZLYUNZPWNFT-UHFFFAOYSA-N 2 1 226.368 1.242 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000849024035 588439979 /nfs/dbraw/zinc/43/99/79/588439979.db2.gz OTMAKDYWGNDHJF-NSHDSACASA-N 2 1 238.379 1.383 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H](C)F ZINC000849033599 588443804 /nfs/dbraw/zinc/44/38/04/588443804.db2.gz RHCFKFGDTJMLKO-GHMZBOCLSA-N 2 1 244.358 1.333 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041072 588448011 /nfs/dbraw/zinc/44/80/11/588448011.db2.gz JLIWJDWEVOYIQO-NWDGAFQWSA-N 2 1 240.395 1.631 20 0 BDADMP C[NH+](C)C1(CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000849043897 588449239 /nfs/dbraw/zinc/44/92/39/588449239.db2.gz YLFBJNQAAGJGDR-UHFFFAOYSA-N 2 1 238.379 1.481 20 0 BDADMP CC[N@@H+](CCCNC(N)=[NH2+])C1CCCCC1 ZINC000849046796 588450273 /nfs/dbraw/zinc/45/02/73/588450273.db2.gz LLTFATTZUHMBDS-UHFFFAOYSA-N 2 1 226.368 1.514 20 0 BDADMP CCCC[N@@H+](C)CCNC1=[NH+]CCCCN1 ZINC000849216003 588462305 /nfs/dbraw/zinc/46/23/05/588462305.db2.gz PCGATLJVEXEVOP-UHFFFAOYSA-N 2 1 226.368 1.047 20 0 BDADMP C[N@H+]1CCC[C@H](CCNC2=[NH+]CCCCN2)C1 ZINC000849218059 588462574 /nfs/dbraw/zinc/46/25/74/588462574.db2.gz NOLKLHZGAMHFCU-GFCCVEGCSA-N 2 1 238.379 1.047 20 0 BDADMP Cc1nnc([C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)[nH]1 ZINC000852746174 588699170 /nfs/dbraw/zinc/69/91/70/588699170.db2.gz FNRZUXQUISQKIT-JTQLQIEISA-N 2 1 249.362 1.250 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]C ZINC000852921676 588713615 /nfs/dbraw/zinc/71/36/15/588713615.db2.gz QGOSVAVVCPSUSK-GFCCVEGCSA-N 2 1 243.395 1.223 20 0 BDADMP Cc1c[nH+]cn1Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000863654751 589308269 /nfs/dbraw/zinc/30/82/69/589308269.db2.gz MWBRXGYMSYXPNC-JTQLQIEISA-N 2 1 247.302 1.090 20 0 BDADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864451257 589364891 /nfs/dbraw/zinc/36/48/91/589364891.db2.gz GQIUJWIOSSODOR-GFCCVEGCSA-N 2 1 238.379 1.242 20 0 BDADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000864451717 589365098 /nfs/dbraw/zinc/36/50/98/589365098.db2.gz DVJDWQLAWKBXGC-WOPDTQHZSA-N 2 1 238.379 1.383 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864456514 589367196 /nfs/dbraw/zinc/36/71/96/589367196.db2.gz HWIVXKGGGXADCX-NSHDSACASA-N 2 1 240.395 1.631 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000864464860 589370568 /nfs/dbraw/zinc/37/05/68/589370568.db2.gz JMWGBPSVMOKYSJ-UHFFFAOYSA-N 2 1 238.379 1.551 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000864464860 589370570 /nfs/dbraw/zinc/37/05/70/589370570.db2.gz JMWGBPSVMOKYSJ-UHFFFAOYSA-N 2 1 238.379 1.551 20 0 BDADMP C[C@H](C1CC1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866585206 589502166 /nfs/dbraw/zinc/50/21/66/589502166.db2.gz VMXNWGORPMTVET-RTXFEEFZSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866585206 589502168 /nfs/dbraw/zinc/50/21/68/589502168.db2.gz VMXNWGORPMTVET-RTXFEEFZSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866585206 589502169 /nfs/dbraw/zinc/50/21/69/589502169.db2.gz VMXNWGORPMTVET-RTXFEEFZSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866585206 589502171 /nfs/dbraw/zinc/50/21/71/589502171.db2.gz VMXNWGORPMTVET-RTXFEEFZSA-N 2 1 208.349 1.811 20 0 BDADMP CC1(C)CCNCC[N@H+]1CCCCCC[NH3+] ZINC000866697474 589512829 /nfs/dbraw/zinc/51/28/29/589512829.db2.gz QMELMJZZWGEGGN-UHFFFAOYSA-N 2 1 227.396 1.579 20 0 BDADMP CC1(C)CC[NH2+]CCN1CCCCCC[NH3+] ZINC000866697474 589512831 /nfs/dbraw/zinc/51/28/31/589512831.db2.gz QMELMJZZWGEGGN-UHFFFAOYSA-N 2 1 227.396 1.579 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866702612 589513354 /nfs/dbraw/zinc/51/33/54/589513354.db2.gz DAFFQPRMVUBZLR-STQMWFEESA-N 2 1 240.391 1.469 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866703972 589513574 /nfs/dbraw/zinc/51/35/74/589513574.db2.gz QTFBXOCBCRLYOE-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704820 589514222 /nfs/dbraw/zinc/51/42/22/589514222.db2.gz YDSIRIUSPOGDQB-QJPTWQEYSA-N 2 1 226.389 1.281 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725304 589516408 /nfs/dbraw/zinc/51/64/08/589516408.db2.gz RWQXDGSBXRVNSL-QWHCGFSZSA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725304 589516409 /nfs/dbraw/zinc/51/64/09/589516409.db2.gz RWQXDGSBXRVNSL-QWHCGFSZSA-N 3 1 225.380 1.332 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122936429 589644949 /nfs/dbraw/zinc/64/49/49/589644949.db2.gz MBHPGYLMMPQFSU-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP CC(C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785091 589818408 /nfs/dbraw/zinc/81/84/08/589818408.db2.gz QYODWDMDJZKVDX-FGWVZKOKSA-N 2 1 225.336 1.766 20 0 BDADMP CC(C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785091 589818409 /nfs/dbraw/zinc/81/84/09/589818409.db2.gz QYODWDMDJZKVDX-FGWVZKOKSA-N 2 1 225.336 1.766 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000872141825 589882538 /nfs/dbraw/zinc/88/25/38/589882538.db2.gz VCEZDLJYGIYAKF-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@H+](C[C@H]1CC2(CCC2)CO1)[C@H](C[NH3+])C1CC1 ZINC000872142981 589882971 /nfs/dbraw/zinc/88/29/71/589882971.db2.gz IEDPTSTYWACXIG-CHWSQXEVSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)[C@H](C[NH3+])C1CC1 ZINC000872142981 589882972 /nfs/dbraw/zinc/88/29/72/589882972.db2.gz IEDPTSTYWACXIG-CHWSQXEVSA-N 2 1 238.375 1.615 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000872145635 589884257 /nfs/dbraw/zinc/88/42/57/589884257.db2.gz VQEFOMCMSSXLKX-RYUDHWBXSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872144444 589884531 /nfs/dbraw/zinc/88/45/31/589884531.db2.gz ZBOHKZGUIPWBBQ-YNEHKIRRSA-N 2 1 238.375 1.615 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](CCC(=O)OC)C1 ZINC000872154243 589885839 /nfs/dbraw/zinc/88/58/39/589885839.db2.gz OWFNFUPLDMHTEG-GFCCVEGCSA-N 2 1 242.363 1.261 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2cnc(N)cn2)[C@H]1CC[NH3+] ZINC000873213565 589996775 /nfs/dbraw/zinc/99/67/75/589996775.db2.gz HTDIMQYGWIQZHT-PWSUYJOCSA-N 2 1 249.362 1.008 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cnc(N)cn2)[C@H]1CC[NH3+] ZINC000873213565 589996776 /nfs/dbraw/zinc/99/67/76/589996776.db2.gz HTDIMQYGWIQZHT-PWSUYJOCSA-N 2 1 249.362 1.008 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000873221703 589999385 /nfs/dbraw/zinc/99/93/85/589999385.db2.gz NYDPGRZZRPDFFW-UWVGGRQHSA-N 2 1 214.378 1.409 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000873221703 589999387 /nfs/dbraw/zinc/99/93/87/589999387.db2.gz NYDPGRZZRPDFFW-UWVGGRQHSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccnn1C ZINC000873223025 590000171 /nfs/dbraw/zinc/00/01/71/590000171.db2.gz JNCMZINSXZKPOI-MNOVXSKESA-N 2 1 222.336 1.213 20 0 BDADMP c1cc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)[nH]n1 ZINC000873232926 590002998 /nfs/dbraw/zinc/00/29/98/590002998.db2.gz RRELMGFMYQSVDB-ZDUSSCGKSA-N 2 1 248.374 1.812 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+](C)CCCCCC[NH3+] ZINC000873231593 590003529 /nfs/dbraw/zinc/00/35/29/590003529.db2.gz QOMUCGXVKPMLFC-CYBMUJFWSA-N 3 1 229.412 1.668 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873237889 590004667 /nfs/dbraw/zinc/00/46/67/590004667.db2.gz VGFLRORFNOOAOK-CHWSQXEVSA-N 3 1 241.423 1.872 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873241303 590005212 /nfs/dbraw/zinc/00/52/12/590005212.db2.gz GCCTZVRTXCADPM-NEPJUHHUSA-N 2 1 237.322 1.970 20 0 BDADMP C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)[C@H]1CCC[NH2+]1 ZINC000873238543 590005266 /nfs/dbraw/zinc/00/52/66/590005266.db2.gz BFYUXSUGYATYJI-BHAYOYGOSA-N 2 1 236.359 1.140 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)[C@H](C)O1 ZINC000873237927 590005804 /nfs/dbraw/zinc/00/58/04/590005804.db2.gz VOJQWZPYZYMRRT-XQHKEYJVSA-N 2 1 240.391 1.920 20 0 BDADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000873243638 590006356 /nfs/dbraw/zinc/00/63/56/590006356.db2.gz ZEDUOTOLZSNERS-FOSCPWQOSA-N 2 1 235.306 1.593 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccccc21 ZINC000873249864 590007264 /nfs/dbraw/zinc/00/72/64/590007264.db2.gz NEVDETIFTZAXLQ-QOBDMFJFSA-N 2 1 231.343 1.458 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000873254220 590009665 /nfs/dbraw/zinc/00/96/65/590009665.db2.gz NUTDJRLHINSUDI-NDBYEHHHSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000873254220 590009667 /nfs/dbraw/zinc/00/96/67/590009667.db2.gz NUTDJRLHINSUDI-NDBYEHHHSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261673 590014388 /nfs/dbraw/zinc/01/43/88/590014388.db2.gz QBXIYMFCFOCSGF-RGDJUOJXSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C1CC[NH2+]CC1 ZINC000873268940 590015417 /nfs/dbraw/zinc/01/54/17/590015417.db2.gz BDMPVJPBQGBFRP-MNOVXSKESA-N 3 1 248.374 1.533 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873268556 590015608 /nfs/dbraw/zinc/01/56/08/590015608.db2.gz XAIICRCUICEIGE-BZPMIXESSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873268556 590015610 /nfs/dbraw/zinc/01/56/10/590015610.db2.gz XAIICRCUICEIGE-BZPMIXESSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCCC[C@H]1N)C1CC[NH2+]CC1 ZINC000873270675 590016271 /nfs/dbraw/zinc/01/62/71/590016271.db2.gz ZVTDNEHBOZBISJ-BNOWGMLFSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCCC[C@@H]1N)C1CC[NH2+]CC1 ZINC000873273276 590016989 /nfs/dbraw/zinc/01/69/89/590016989.db2.gz ZVTDNEHBOZBISJ-UBHSHLNASA-N 2 1 239.407 1.624 20 0 BDADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000873272822 590017108 /nfs/dbraw/zinc/01/71/08/590017108.db2.gz WSBIRQRPRJLIOZ-OBJOEFQTSA-N 2 1 239.407 1.495 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000020473630 590115746 /nfs/dbraw/zinc/11/57/46/590115746.db2.gz RCWSKJYCMLIVIN-NSHDSACASA-N 2 1 208.280 1.606 20 0 BDADMP C[NH+]1CCC([NH2+]CCCCCCO)CC1 ZINC000126224664 590254855 /nfs/dbraw/zinc/25/48/55/590254855.db2.gz VMRUQTNZVUTBJQ-UHFFFAOYSA-N 2 1 214.353 1.223 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N(CC)CC[NH3+] ZINC000877006945 590268433 /nfs/dbraw/zinc/26/84/33/590268433.db2.gz XECHDXNYPWOURN-UHFFFAOYSA-N 2 1 243.395 1.306 20 0 BDADMP COC(=O)C1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000877724289 590402384 /nfs/dbraw/zinc/40/23/84/590402384.db2.gz VPZIVCVTHGFNGK-UZEXVOJHSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)C1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000877724289 590402386 /nfs/dbraw/zinc/40/23/86/590402386.db2.gz VPZIVCVTHGFNGK-UZEXVOJHSA-N 2 1 240.347 1.010 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740198 590407673 /nfs/dbraw/zinc/40/76/73/590407673.db2.gz IZNRYHIWUBCHTL-STQMWFEESA-N 2 1 240.391 1.685 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740198 590407675 /nfs/dbraw/zinc/40/76/75/590407675.db2.gz IZNRYHIWUBCHTL-STQMWFEESA-N 2 1 240.391 1.685 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740198 590407678 /nfs/dbraw/zinc/40/76/78/590407678.db2.gz IZNRYHIWUBCHTL-STQMWFEESA-N 2 1 240.391 1.685 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccncc3)CC[C@@H]21 ZINC000879570037 590807415 /nfs/dbraw/zinc/80/74/15/590807415.db2.gz WKABRDNFTLXTMM-CABCVRRESA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccncc3)CC[C@@H]21 ZINC000879570037 590807419 /nfs/dbraw/zinc/80/74/19/590807419.db2.gz WKABRDNFTLXTMM-CABCVRRESA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccncc3)CC[C@@H]21 ZINC000879570037 590807423 /nfs/dbraw/zinc/80/74/23/590807423.db2.gz WKABRDNFTLXTMM-CABCVRRESA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccncc3)CC[C@@H]21 ZINC000879570037 590807427 /nfs/dbraw/zinc/80/74/27/590807427.db2.gz WKABRDNFTLXTMM-CABCVRRESA-N 2 1 245.370 1.650 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(F)(F)F)CC[C@@H]21 ZINC000879573019 590809867 /nfs/dbraw/zinc/80/98/67/590809867.db2.gz KWYBZPJHXKRLND-ZJUUUORDSA-N 2 1 236.281 1.965 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(F)(F)F)CC[C@@H]21 ZINC000879573019 590809869 /nfs/dbraw/zinc/80/98/69/590809869.db2.gz KWYBZPJHXKRLND-ZJUUUORDSA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]21 ZINC000879573019 590809873 /nfs/dbraw/zinc/80/98/73/590809873.db2.gz KWYBZPJHXKRLND-ZJUUUORDSA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]21 ZINC000879573019 590809875 /nfs/dbraw/zinc/80/98/75/590809875.db2.gz KWYBZPJHXKRLND-ZJUUUORDSA-N 2 1 236.281 1.965 20 0 BDADMP CCOCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573418 590809937 /nfs/dbraw/zinc/80/99/37/590809937.db2.gz NWVWJHWVMGEIRS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573418 590809940 /nfs/dbraw/zinc/80/99/40/590809940.db2.gz NWVWJHWVMGEIRS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573418 590809941 /nfs/dbraw/zinc/80/99/41/590809941.db2.gz NWVWJHWVMGEIRS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573418 590809943 /nfs/dbraw/zinc/80/99/43/590809943.db2.gz NWVWJHWVMGEIRS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CC3)CC[C@@H]21 ZINC000879573756 590810200 /nfs/dbraw/zinc/81/02/00/590810200.db2.gz QWJXWJANJWPUAJ-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC000879573756 590810204 /nfs/dbraw/zinc/81/02/04/590810204.db2.gz QWJXWJANJWPUAJ-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC000879573756 590810207 /nfs/dbraw/zinc/81/02/07/590810207.db2.gz QWJXWJANJWPUAJ-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578007 590813451 /nfs/dbraw/zinc/81/34/51/590813451.db2.gz AEAJIKGZVMSZOL-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578007 590813453 /nfs/dbraw/zinc/81/34/53/590813453.db2.gz AEAJIKGZVMSZOL-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578007 590813455 /nfs/dbraw/zinc/81/34/55/590813455.db2.gz AEAJIKGZVMSZOL-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879581363 590821695 /nfs/dbraw/zinc/82/16/95/590821695.db2.gz ZADWMRTYYSANFA-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879581363 590821696 /nfs/dbraw/zinc/82/16/96/590821696.db2.gz ZADWMRTYYSANFA-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000879581363 590821697 /nfs/dbraw/zinc/82/16/97/590821697.db2.gz ZADWMRTYYSANFA-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000879581363 590821699 /nfs/dbraw/zinc/82/16/99/590821699.db2.gz ZADWMRTYYSANFA-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP COCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879947718 590894776 /nfs/dbraw/zinc/89/47/76/590894776.db2.gz KXAMUFDIBAPHNK-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP CC(C)c1c[nH]c(C[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000883083410 591536627 /nfs/dbraw/zinc/53/66/27/591536627.db2.gz LACZPWPIORHIJY-UHFFFAOYSA-N 2 1 248.374 1.885 20 0 BDADMP CC(C)c1c[nH]c(C[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000883083410 591536631 /nfs/dbraw/zinc/53/66/31/591536631.db2.gz LACZPWPIORHIJY-UHFFFAOYSA-N 2 1 248.374 1.885 20 0 BDADMP CCN1CC[C@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000883354092 591624731 /nfs/dbraw/zinc/62/47/31/591624731.db2.gz KOZOXNPXFWJGDI-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000883450548 591670914 /nfs/dbraw/zinc/67/09/14/591670914.db2.gz PTXNBFSZQSMZJH-CYBMUJFWSA-N 3 1 227.396 1.579 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000883450548 591670918 /nfs/dbraw/zinc/67/09/18/591670918.db2.gz PTXNBFSZQSMZJH-CYBMUJFWSA-N 3 1 227.396 1.579 20 0 BDADMP C([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000132163901 591690258 /nfs/dbraw/zinc/69/02/58/591690258.db2.gz XVBBPQXPFIYZSE-GFCCVEGCSA-N 2 1 237.391 1.202 20 0 BDADMP Cn1c2ccccc2[nH+]c1NC[C@H]1CC[NH2+]C1 ZINC000133785438 591857327 /nfs/dbraw/zinc/85/73/27/591857327.db2.gz ZPMDJOGMRVAANZ-JTQLQIEISA-N 2 1 230.315 1.595 20 0 BDADMP CCC[N@H+]1CC[C@@H](Nc2ccnc(CC)n2)C1 ZINC000884558957 591979113 /nfs/dbraw/zinc/97/91/13/591979113.db2.gz IZQKPWOFRUQHFE-LLVKDONJSA-N 2 1 234.347 1.935 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@]12CCOC2)C1CCC([NH3+])CC1 ZINC000886830390 592352569 /nfs/dbraw/zinc/35/25/69/592352569.db2.gz QFBKWXLPOSZXPL-ABXWRUBCSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886838549 592359125 /nfs/dbraw/zinc/35/91/25/592359125.db2.gz ZSYIKGDUPWBJKH-HZSPNIEDSA-N 2 1 238.375 1.616 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872008 592377694 /nfs/dbraw/zinc/37/76/94/592377694.db2.gz HCZVLEPOAGTLDZ-CQSZACIVSA-N 2 1 240.391 1.879 20 0 BDADMP COCCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873955 592377846 /nfs/dbraw/zinc/37/78/46/592377846.db2.gz CIWXNGBSQKRUSP-CYBMUJFWSA-N 2 1 226.364 1.489 20 0 BDADMP COCCCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872397 592377923 /nfs/dbraw/zinc/37/79/23/592377923.db2.gz RKMADFJPMHIRLU-AWEZNQCLSA-N 2 1 240.391 1.879 20 0 BDADMP COC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132861 592449249 /nfs/dbraw/zinc/44/92/49/592449249.db2.gz OTEFBLZVQZEAIV-OLZOCXBDSA-N 2 1 249.358 1.627 20 0 BDADMP C[NH+](CCCF)CCC[N@@H+](C)CCCF ZINC000887141148 592457416 /nfs/dbraw/zinc/45/74/16/592457416.db2.gz HSOACAWUWBUAPF-UHFFFAOYSA-N 2 1 222.323 1.959 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000887354074 592487076 /nfs/dbraw/zinc/48/70/76/592487076.db2.gz ONCFDYDKWIFABW-LBPRGKRZSA-N 2 1 238.379 1.385 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCC(F)F ZINC000887354041 592487138 /nfs/dbraw/zinc/48/71/38/592487138.db2.gz NLPJFLVXPPBDST-UHFFFAOYSA-N 2 1 236.310 1.097 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000300334356 592507478 /nfs/dbraw/zinc/50/74/78/592507478.db2.gz HZCTXNOLPAMVSO-QWHCGFSZSA-N 2 1 228.380 1.456 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000223212411 592522157 /nfs/dbraw/zinc/52/21/57/592522157.db2.gz FYNNBBDYPQHRAH-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)O1 ZINC000925710587 634409184 /nfs/dbraw/zinc/40/91/84/634409184.db2.gz QDUWIABUJIWACL-FRRDWIJNSA-N 2 1 238.375 1.818 20 0 BDADMP Cc1cncc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)n1 ZINC000925711693 634412389 /nfs/dbraw/zinc/41/23/89/634412389.db2.gz ZPJVEGDBZYWXKS-LBPRGKRZSA-N 2 1 234.347 1.058 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])C12CCC2 ZINC000925714178 634419930 /nfs/dbraw/zinc/41/99/30/634419930.db2.gz WJEJSTRKPSSMAN-NEPJUHHUSA-N 2 1 225.380 1.365 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000124777908 634433025 /nfs/dbraw/zinc/43/30/25/634433025.db2.gz BJUMLZLOGXTPAN-CYBMUJFWSA-N 2 1 226.364 1.365 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716031 634445200 /nfs/dbraw/zinc/44/52/00/634445200.db2.gz OGIRRMSIYKWIBA-YNEHKIRRSA-N 3 1 241.423 1.855 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000257684600 634462646 /nfs/dbraw/zinc/46/26/46/634462646.db2.gz LWOOYBWAAQOXBP-AWEZNQCLSA-N 2 1 249.358 1.867 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000257684600 634462654 /nfs/dbraw/zinc/46/26/54/634462654.db2.gz LWOOYBWAAQOXBP-AWEZNQCLSA-N 2 1 249.358 1.867 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125563462 634554186 /nfs/dbraw/zinc/55/41/86/634554186.db2.gz BEXZDLBHQFFXNM-GFCCVEGCSA-N 2 1 234.343 1.866 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000310114992 634574553 /nfs/dbraw/zinc/57/45/53/634574553.db2.gz GUOAIZZYZHCLAY-RDBSUJKOSA-N 2 1 238.375 1.474 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C12CCC2 ZINC000423372113 634589083 /nfs/dbraw/zinc/58/90/83/634589083.db2.gz HWZGBRNEZHMZRQ-ZDEQEGDKSA-N 2 1 238.375 1.674 20 0 BDADMP C[N@@H+](CCCCCCO)C1CCC([NH3+])CC1 ZINC000226429217 635435100 /nfs/dbraw/zinc/43/51/00/635435100.db2.gz VZGJXBRKBLRDNP-UHFFFAOYSA-N 2 1 228.380 1.741 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000107805154 635488111 /nfs/dbraw/zinc/48/81/11/635488111.db2.gz QOCFLECRNZTEFB-NSHDSACASA-N 3 1 213.369 1.045 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000107805154 635488116 /nfs/dbraw/zinc/48/81/16/635488116.db2.gz QOCFLECRNZTEFB-NSHDSACASA-N 3 1 213.369 1.045 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840652 635505859 /nfs/dbraw/zinc/50/58/59/635505859.db2.gz NEQOZARMGZMRQS-MGPQQGTHSA-N 3 1 237.391 1.250 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925853823 635543414 /nfs/dbraw/zinc/54/34/14/635543414.db2.gz CARINQUQKHZEFJ-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925891151 635616380 /nfs/dbraw/zinc/61/63/80/635616380.db2.gz SXHGKLPLVCEUCK-CHWSQXEVSA-N 2 1 249.358 1.905 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000925874870 635596723 /nfs/dbraw/zinc/59/67/23/635596723.db2.gz WBFYPQQYLVUMKE-VHSXEESVSA-N 2 1 236.363 1.513 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000925881196 635607436 /nfs/dbraw/zinc/60/74/36/635607436.db2.gz YZSJHPYWEARMRJ-RFGFWPKPSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925881795 635611127 /nfs/dbraw/zinc/61/11/27/635611127.db2.gz UZMVDSGIBBQFHH-LOWDOPEQSA-N 2 1 208.349 1.764 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000925881676 635611140 /nfs/dbraw/zinc/61/11/40/635611140.db2.gz DKSPDDUKLKBKKF-RFQIPJPRSA-N 3 1 237.391 1.330 20 0 BDADMP Cn1cncc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869318 631464129 /nfs/dbraw/zinc/46/41/29/631464129.db2.gz IXLZXHOLKMMREP-UHFFFAOYSA-N 2 1 222.336 1.122 20 0 BDADMP CCC[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000308720647 631556776 /nfs/dbraw/zinc/55/67/76/631556776.db2.gz CHXLNKKMYGTAHP-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000308720647 631556788 /nfs/dbraw/zinc/55/67/88/631556788.db2.gz CHXLNKKMYGTAHP-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1COCC[C@H]1OC ZINC000934038912 631637135 /nfs/dbraw/zinc/63/71/35/631637135.db2.gz JPZSWHMRVWAEAK-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP C[N@H+](Cc1csnn1)C1CCC([NH3+])CC1 ZINC000308820775 631673821 /nfs/dbraw/zinc/67/38/21/631673821.db2.gz QMHATCWIOSGNGL-UHFFFAOYSA-N 2 1 226.349 1.240 20 0 BDADMP C[N@@H+](Cc1csnn1)C1CCC([NH3+])CC1 ZINC000308820775 631673824 /nfs/dbraw/zinc/67/38/24/631673824.db2.gz QMHATCWIOSGNGL-UHFFFAOYSA-N 2 1 226.349 1.240 20 0 BDADMP CNc1cc(NCC2([NH+](C)C)CCC2)nc[nH+]1 ZINC000097936435 631675582 /nfs/dbraw/zinc/67/55/82/631675582.db2.gz LYXQAPORXLYMEF-UHFFFAOYSA-N 2 1 235.335 1.415 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251820639 631715333 /nfs/dbraw/zinc/71/53/33/631715333.db2.gz OYGYTWWCMINTHW-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCSC[C@@H]1C ZINC000934297552 631762604 /nfs/dbraw/zinc/76/26/04/631762604.db2.gz HRJWCXBBSVNOKE-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCSC[C@@H]1C ZINC000934297552 631762606 /nfs/dbraw/zinc/76/26/06/631762606.db2.gz HRJWCXBBSVNOKE-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCSC[C@@H]1C ZINC000934297552 631762612 /nfs/dbraw/zinc/76/26/12/631762612.db2.gz HRJWCXBBSVNOKE-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000309056609 631832203 /nfs/dbraw/zinc/83/22/03/631832203.db2.gz PURBFGXJFOPDGH-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CC1(C)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309056081 631832994 /nfs/dbraw/zinc/83/29/94/631832994.db2.gz AWTASMMFHAOOJN-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309056081 631832995 /nfs/dbraw/zinc/83/29/95/631832995.db2.gz AWTASMMFHAOOJN-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CCC(C)(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309060139 631834692 /nfs/dbraw/zinc/83/46/92/631834692.db2.gz VOMOUVQSPCVZQC-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CCC(C)(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309060139 631834693 /nfs/dbraw/zinc/83/46/93/631834693.db2.gz VOMOUVQSPCVZQC-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CCC(CC)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308846256 631911841 /nfs/dbraw/zinc/91/18/41/631911841.db2.gz LLHBUXQOHSLSHN-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000052041386 632051460 /nfs/dbraw/zinc/05/14/60/632051460.db2.gz UCESIQFEVFEUHP-SNVBAGLBSA-N 2 1 226.368 1.383 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000052041387 632052407 /nfs/dbraw/zinc/05/24/07/632052407.db2.gz DQHSUZJNPGZDHZ-LLVKDONJSA-N 2 1 226.368 1.241 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000926450413 632068084 /nfs/dbraw/zinc/06/80/84/632068084.db2.gz MKNUWUZBHLGXJD-MXWKQRLJSA-N 2 1 249.358 1.528 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926558589 632526105 /nfs/dbraw/zinc/52/61/05/632526105.db2.gz JMYVUQYYIAFKIH-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1C ZINC000926559053 632531623 /nfs/dbraw/zinc/53/16/23/632531623.db2.gz LSFHVVUYDZESQS-DYEKYZERSA-N 2 1 240.391 1.874 20 0 BDADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250644001 632543269 /nfs/dbraw/zinc/54/32/69/632543269.db2.gz IDHKQPPDNXBEFW-GJZGRUSLSA-N 2 1 245.370 1.212 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251377447 632546949 /nfs/dbraw/zinc/54/69/49/632546949.db2.gz GZYFNWQUVTYFCN-OLZOCXBDSA-N 2 1 210.365 1.964 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056712 632632032 /nfs/dbraw/zinc/63/20/32/632632032.db2.gz ZMYCQXJMJYRZQZ-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)CC1(C)C ZINC000310568868 632759769 /nfs/dbraw/zinc/75/97/69/632759769.db2.gz YPMIOJNIOIIISP-QWHCGFSZSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000310568868 632759772 /nfs/dbraw/zinc/75/97/72/632759772.db2.gz YPMIOJNIOIIISP-QWHCGFSZSA-N 2 1 242.407 1.808 20 0 BDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC ZINC000066245825 632861388 /nfs/dbraw/zinc/86/13/88/632861388.db2.gz FMOHQHWRRCOLCE-NSHDSACASA-N 2 1 226.368 1.175 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCOC(C)(C)C1 ZINC000309378244 632992912 /nfs/dbraw/zinc/99/29/12/632992912.db2.gz CYYHWHMGELUSHD-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[N@@H+]1C ZINC000169001672 633154608 /nfs/dbraw/zinc/15/46/08/633154608.db2.gz LOXHLQDBYPGXPG-QWHCGFSZSA-N 2 1 249.358 1.533 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCOc2cccnc2)CC[N@H+]1C ZINC000169001672 633154611 /nfs/dbraw/zinc/15/46/11/633154611.db2.gz LOXHLQDBYPGXPG-QWHCGFSZSA-N 2 1 249.358 1.533 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000925525315 633903272 /nfs/dbraw/zinc/90/32/72/633903272.db2.gz BQCAWBXWUKIFOB-RYUDHWBXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000925525600 633904880 /nfs/dbraw/zinc/90/48/80/633904880.db2.gz DHAZXVWJPWLRFE-QWHCGFSZSA-N 2 1 240.391 1.659 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccncc1 ZINC000925541079 633955106 /nfs/dbraw/zinc/95/51/06/633955106.db2.gz HHMKQDTXXXVCPR-DYEKYZERSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925543787 633968930 /nfs/dbraw/zinc/96/89/30/633968930.db2.gz WITHTPYESNLXDA-JSGCOSHPSA-N 2 1 245.370 1.887 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000895442710 636145235 /nfs/dbraw/zinc/14/52/35/636145235.db2.gz KIIUVAXSUPZHNS-KBPBESRZSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000309784865 634008300 /nfs/dbraw/zinc/00/83/00/634008300.db2.gz NTYAUNMQWNGNDE-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1CCCC1 ZINC000309982838 634024406 /nfs/dbraw/zinc/02/44/06/634024406.db2.gz AEUNPZKNQITXHY-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000309982544 634024764 /nfs/dbraw/zinc/02/47/64/634024764.db2.gz FFENFJVDSOTMTD-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000309982544 634024771 /nfs/dbraw/zinc/02/47/71/634024771.db2.gz FFENFJVDSOTMTD-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000053195393 634033071 /nfs/dbraw/zinc/03/30/71/634033071.db2.gz KNYAGUOKWBGKBJ-MNOVXSKESA-N 2 1 212.337 1.095 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000053195395 634033896 /nfs/dbraw/zinc/03/38/96/634033896.db2.gz KNYAGUOKWBGKBJ-GHMZBOCLSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]([NH3+])[C@H](NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000925563063 634045199 /nfs/dbraw/zinc/04/51/99/634045199.db2.gz AACJZCUQYCLISH-QEJZJMRPSA-N 2 1 247.386 1.759 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000925572313 634069512 /nfs/dbraw/zinc/06/95/12/634069512.db2.gz IBOAKFBFOXGNPV-IUCAKERBSA-N 2 1 200.351 1.222 20 0 BDADMP CCn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C)n1 ZINC000893301848 634113488 /nfs/dbraw/zinc/11/34/88/634113488.db2.gz ARSKWPWCNNUBQP-UHFFFAOYSA-N 2 1 248.374 1.563 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000925607703 634140561 /nfs/dbraw/zinc/14/05/61/634140561.db2.gz REHNNFAESUAVAJ-NWDGAFQWSA-N 2 1 248.374 1.491 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925645924 634201214 /nfs/dbraw/zinc/20/12/14/634201214.db2.gz RROXHJRMIPKJPL-GHMZBOCLSA-N 2 1 212.337 1.286 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925648448 634202456 /nfs/dbraw/zinc/20/24/56/634202456.db2.gz BQIVEGVMYHINPR-LBPRGKRZSA-N 2 1 240.391 1.802 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925662254 634231320 /nfs/dbraw/zinc/23/13/20/634231320.db2.gz HNPXEBAEPNNNBU-RWMBFGLXSA-N 2 1 238.375 1.818 20 0 BDADMP OC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925677299 634266931 /nfs/dbraw/zinc/26/69/31/634266931.db2.gz SIZUXVDZQQNPGA-OLZOCXBDSA-N 2 1 238.375 1.412 20 0 BDADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCn3ccnc32)C[C@@H]([NH3+])C1 ZINC000925679973 634276187 /nfs/dbraw/zinc/27/61/87/634276187.db2.gz LZIVOBPJOFAGAS-GRYCIOLGSA-N 2 1 248.374 1.824 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925684014 634290692 /nfs/dbraw/zinc/29/06/92/634290692.db2.gz CYSUFQWONDGZHW-GFCCVEGCSA-N 2 1 239.407 1.591 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925686750 634298615 /nfs/dbraw/zinc/29/86/15/634298615.db2.gz YCHUZBOBAZGMRH-CYBMUJFWSA-N 3 1 239.407 1.591 20 0 BDADMP C[N@H+](CCCCN[C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925686750 634298620 /nfs/dbraw/zinc/29/86/20/634298620.db2.gz YCHUZBOBAZGMRH-CYBMUJFWSA-N 2 1 239.407 1.591 20 0 BDADMP C[N@@H+](CCCCN[C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925686750 634298624 /nfs/dbraw/zinc/29/86/24/634298624.db2.gz YCHUZBOBAZGMRH-CYBMUJFWSA-N 2 1 239.407 1.591 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689828 634308476 /nfs/dbraw/zinc/30/84/76/634308476.db2.gz IRYXEAGHNHUVOD-RYUDHWBXSA-N 3 1 227.396 1.482 20 0 BDADMP CC1(C)C[C@@H](N[C@H]2CCC[C@@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC000925690776 634313942 /nfs/dbraw/zinc/31/39/42/634313942.db2.gz HDXQCYJJLXPRBP-NDBYEHHHSA-N 2 1 239.407 1.609 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925700330 634368282 /nfs/dbraw/zinc/36/82/82/634368282.db2.gz RURFPPLQABIQKQ-RYUDHWBXSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925701376 634374589 /nfs/dbraw/zinc/37/45/89/634374589.db2.gz YMESMUYICXQFAI-NDBYEHHHSA-N 3 1 239.407 1.480 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000925702170 634376436 /nfs/dbraw/zinc/37/64/36/634376436.db2.gz AAIOQXGGWIDCHA-XYJRDEOASA-N 2 1 208.349 1.905 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](N)C23CCC3)C1 ZINC000925701997 634376499 /nfs/dbraw/zinc/37/64/99/634376499.db2.gz JBVJLAWBVLSYLO-XQHKEYJVSA-N 2 1 237.391 1.186 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1cccc(F)c1 ZINC000258839051 635212197 /nfs/dbraw/zinc/21/21/97/635212197.db2.gz WAOFRWGHQLLXAB-UHFFFAOYSA-N 2 1 224.323 1.910 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925772896 635217511 /nfs/dbraw/zinc/21/75/11/635217511.db2.gz LEQLUUZFYDNRHQ-AVGNSLFASA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cn1 ZINC000925782758 635279369 /nfs/dbraw/zinc/27/93/69/635279369.db2.gz AJHUPPIFMUBRKX-MXWKQRLJSA-N 2 1 237.322 1.727 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925873243 635591890 /nfs/dbraw/zinc/59/18/90/635591890.db2.gz HCOHFEBECYKEKM-FRRDWIJNSA-N 2 1 228.380 1.635 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000299917461 635892892 /nfs/dbraw/zinc/89/28/92/635892892.db2.gz UJEBMIZBUIFVCS-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000052042177 636670766 /nfs/dbraw/zinc/67/07/66/636670766.db2.gz MOBUMPMRIMQJCU-LLVKDONJSA-N 2 1 238.379 1.241 20 0 BDADMP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(N)[nH+]1 ZINC000322720655 636878747 /nfs/dbraw/zinc/87/87/47/636878747.db2.gz QRRRENMWTOMRJW-FGWVZKOKSA-N 2 1 247.346 1.404 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000086884436 636888692 /nfs/dbraw/zinc/88/86/92/636888692.db2.gz HGVGXSSHDHLWKI-KCJUWKMLSA-N 2 1 239.388 1.929 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000086884436 636888694 /nfs/dbraw/zinc/88/86/94/636888694.db2.gz HGVGXSSHDHLWKI-KCJUWKMLSA-N 2 1 239.388 1.929 20 0 BDADMP CC1(C)CCNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000866699985 636932509 /nfs/dbraw/zinc/93/25/09/636932509.db2.gz YBMFLGGWBFAJAT-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CC1(C)CC[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000866699985 636932512 /nfs/dbraw/zinc/93/25/12/636932512.db2.gz YBMFLGGWBFAJAT-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)C)C[NH+](C)C ZINC000926964197 636973112 /nfs/dbraw/zinc/97/31/12/636973112.db2.gz WQLXETHQALMKBY-MCIONIFRSA-N 2 1 242.407 1.977 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924712178 637022062 /nfs/dbraw/zinc/02/20/62/637022062.db2.gz GRZUPIUDWKBEOS-JTQLQIEISA-N 2 1 248.334 1.061 20 0 BDADMP COCCCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000158525128 637217987 /nfs/dbraw/zinc/21/79/87/637217987.db2.gz YEEBFOTZAZCCOX-UHFFFAOYSA-N 2 1 214.353 1.615 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042464364 637264357 /nfs/dbraw/zinc/26/43/57/637264357.db2.gz UFTITITXLXGRFY-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000903463630 637364173 /nfs/dbraw/zinc/36/41/73/637364173.db2.gz HDQFLIYVWHUHKF-CRWXNKLISA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000903463632 637365201 /nfs/dbraw/zinc/36/52/01/637365201.db2.gz HDQFLIYVWHUHKF-RFQIPJPRSA-N 2 1 240.391 1.325 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903566382 637372420 /nfs/dbraw/zinc/37/24/20/637372420.db2.gz RNTSZUHWKKTMRR-WCQYABFASA-N 2 1 234.347 1.167 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903566382 637372424 /nfs/dbraw/zinc/37/24/24/637372424.db2.gz RNTSZUHWKKTMRR-WCQYABFASA-N 2 1 234.347 1.167 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722953 637378799 /nfs/dbraw/zinc/37/87/99/637378799.db2.gz QWQVROUTYHXAOZ-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000903867316 637386998 /nfs/dbraw/zinc/38/69/98/637386998.db2.gz PDAIBUKFUDFEHY-UONOGXRCSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000903867316 637387005 /nfs/dbraw/zinc/38/70/05/637387005.db2.gz PDAIBUKFUDFEHY-UONOGXRCSA-N 3 1 237.391 1.204 20 0 BDADMP [NH3+][C@H](C[NH2+]C1([C@H]2CCCCO2)CC1)CC(F)F ZINC000904442105 637411310 /nfs/dbraw/zinc/41/13/10/637411310.db2.gz AHISZPXSNBVNCR-VHSXEESVSA-N 2 1 248.317 1.660 20 0 BDADMP Cc1cccc(C)c1C[NH2+]CC1([NH3+])CC1 ZINC000904449995 637415084 /nfs/dbraw/zinc/41/50/84/637415084.db2.gz OGUIZMVIYOWKIV-UHFFFAOYSA-N 2 1 204.317 1.884 20 0 BDADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CC2)o1 ZINC000904450660 637417135 /nfs/dbraw/zinc/41/71/35/637417135.db2.gz SNPDSJJDKUWECZ-UHFFFAOYSA-N 2 1 246.314 1.559 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904460887 637420748 /nfs/dbraw/zinc/42/07/48/637420748.db2.gz BHDNKUMXWYLZHY-PSEXLTFBSA-N 2 1 237.391 1.105 20 0 BDADMP CC(C)(C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000905057292 637590846 /nfs/dbraw/zinc/59/08/46/637590846.db2.gz RZHAFIJHHXQLHE-UHFFFAOYSA-N 2 1 231.303 1.550 20 0 BDADMP CC1(C)Cc2cccc(C[NH2+][C@H]3C[C@H]([NH3+])C3)c2O1 ZINC000906516340 638185190 /nfs/dbraw/zinc/18/51/90/638185190.db2.gz FARUWGBLCIKIGG-JOCQHMNTSA-N 2 1 246.354 1.979 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000906517276 638186893 /nfs/dbraw/zinc/18/68/93/638186893.db2.gz LLFBYGLMEJMOTD-KYZUINATSA-N 2 1 223.345 1.600 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000930502218 639785764 /nfs/dbraw/zinc/78/57/64/639785764.db2.gz HLVQQXIZCVJSJC-ZDUSSCGKSA-N 2 1 241.423 1.600 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@H]21 ZINC000931280868 640132288 /nfs/dbraw/zinc/13/22/88/640132288.db2.gz LXZJNMDCQMSMRH-QLKXBERHSA-N 2 1 234.387 1.914 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@H]21 ZINC000931280868 640132297 /nfs/dbraw/zinc/13/22/97/640132297.db2.gz LXZJNMDCQMSMRH-QLKXBERHSA-N 2 1 234.387 1.914 20 0 BDADMP COCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279201 640134666 /nfs/dbraw/zinc/13/46/66/640134666.db2.gz BZNQJVQDJOFGJP-ITGUQSILSA-N 2 1 226.364 1.295 20 0 BDADMP COCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279201 640134669 /nfs/dbraw/zinc/13/46/69/640134669.db2.gz BZNQJVQDJOFGJP-ITGUQSILSA-N 2 1 226.364 1.295 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000931305891 640143261 /nfs/dbraw/zinc/14/32/61/640143261.db2.gz IPKLKWZJTJZXKG-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000931305891 640143269 /nfs/dbraw/zinc/14/32/69/640143269.db2.gz IPKLKWZJTJZXKG-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000931305891 640143272 /nfs/dbraw/zinc/14/32/72/640143272.db2.gz IPKLKWZJTJZXKG-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000931305891 640143276 /nfs/dbraw/zinc/14/32/76/640143276.db2.gz IPKLKWZJTJZXKG-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](CCn3cccn3)C[C@@]2(C)C1 ZINC000931309501 640147557 /nfs/dbraw/zinc/14/75/57/640147557.db2.gz YADBQKMNWRZUOS-ZIAGYGMSSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000931347794 640165047 /nfs/dbraw/zinc/16/50/47/640165047.db2.gz AJRPSHBWULJXJQ-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CCC(C)([NH+](C)C)CC2)O1 ZINC000931353921 640167047 /nfs/dbraw/zinc/16/70/47/640167047.db2.gz HBHFHWYPVRQCGS-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000931391498 640174788 /nfs/dbraw/zinc/17/47/88/640174788.db2.gz HBIQKLQHQQMQAH-MELADBBJSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000931391498 640174791 /nfs/dbraw/zinc/17/47/91/640174791.db2.gz HBIQKLQHQQMQAH-MELADBBJSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000931391498 640174795 /nfs/dbraw/zinc/17/47/95/640174795.db2.gz HBIQKLQHQQMQAH-MELADBBJSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)O1 ZINC000931435557 640200821 /nfs/dbraw/zinc/20/08/21/640200821.db2.gz FZHWFNXGFMGCER-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)O1 ZINC000931435557 640200827 /nfs/dbraw/zinc/20/08/27/640200827.db2.gz FZHWFNXGFMGCER-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)O1 ZINC000931435557 640200833 /nfs/dbraw/zinc/20/08/33/640200833.db2.gz FZHWFNXGFMGCER-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931435621 640204463 /nfs/dbraw/zinc/20/44/63/640204463.db2.gz BVHLQKKKNZAMSU-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC000931435621 640204473 /nfs/dbraw/zinc/20/44/73/640204473.db2.gz BVHLQKKKNZAMSU-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC000931435621 640204487 /nfs/dbraw/zinc/20/44/87/640204487.db2.gz BVHLQKKKNZAMSU-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccns3)C[C@@H]2C1 ZINC000931441689 640205641 /nfs/dbraw/zinc/20/56/41/640205641.db2.gz NGSJHNRRHRYYLS-MNOVXSKESA-N 2 1 237.372 1.527 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccns3)C[C@@H]2C1 ZINC000931441689 640205644 /nfs/dbraw/zinc/20/56/44/640205644.db2.gz NGSJHNRRHRYYLS-MNOVXSKESA-N 2 1 237.372 1.527 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccns3)C[C@@H]2C1 ZINC000931441689 640205647 /nfs/dbraw/zinc/20/56/47/640205647.db2.gz NGSJHNRRHRYYLS-MNOVXSKESA-N 2 1 237.372 1.527 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccns3)C[C@@H]2C1 ZINC000931441689 640205652 /nfs/dbraw/zinc/20/56/52/640205652.db2.gz NGSJHNRRHRYYLS-MNOVXSKESA-N 2 1 237.372 1.527 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000931441620 640207704 /nfs/dbraw/zinc/20/77/04/640207704.db2.gz KZDMGVCLEJOKND-QMIVOQANSA-N 2 1 234.387 1.916 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000931441620 640207711 /nfs/dbraw/zinc/20/77/11/640207711.db2.gz KZDMGVCLEJOKND-QMIVOQANSA-N 2 1 234.387 1.916 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000931441620 640207718 /nfs/dbraw/zinc/20/77/18/640207718.db2.gz KZDMGVCLEJOKND-QMIVOQANSA-N 2 1 234.387 1.916 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](C1CCCC1)CC2 ZINC000931515302 640246755 /nfs/dbraw/zinc/24/67/55/640246755.db2.gz SUHLRDLXLQUXCV-UHFFFAOYSA-N 2 1 217.316 1.965 20 0 BDADMP Nc1cc[nH+]c2c1C[N@H+](C1CCCC1)CC2 ZINC000931515302 640246760 /nfs/dbraw/zinc/24/67/60/640246760.db2.gz SUHLRDLXLQUXCV-UHFFFAOYSA-N 2 1 217.316 1.965 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCOC1 ZINC000222820353 640509263 /nfs/dbraw/zinc/50/92/63/640509263.db2.gz BMQZTPMXZXJSEN-PJIALRRASA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222962382 640522254 /nfs/dbraw/zinc/52/22/54/640522254.db2.gz PSQJLECAXLHYHP-RDBSUJKOSA-N 2 1 241.423 1.822 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000223729576 640585379 /nfs/dbraw/zinc/58/53/79/640585379.db2.gz DHRCZJPBOFCAJA-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP CCO[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000932969279 640655285 /nfs/dbraw/zinc/65/52/85/640655285.db2.gz AIDRDBBCMDDYLM-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000932969279 640655279 /nfs/dbraw/zinc/65/52/79/640655279.db2.gz AIDRDBBCMDDYLM-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000932969279 640655282 /nfs/dbraw/zinc/65/52/82/640655282.db2.gz AIDRDBBCMDDYLM-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C1=CO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157452194 640686272 /nfs/dbraw/zinc/68/62/72/640686272.db2.gz SSZWOUTVAVIEGE-MCIONIFRSA-N 2 1 236.359 1.896 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933731799 640753106 /nfs/dbraw/zinc/75/31/06/640753106.db2.gz HEASPHRJHOWBBW-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP COC(C)(C)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933731799 640753109 /nfs/dbraw/zinc/75/31/09/640753109.db2.gz HEASPHRJHOWBBW-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP COC(C)(C)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933731799 640753111 /nfs/dbraw/zinc/75/31/11/640753111.db2.gz HEASPHRJHOWBBW-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCO)CC[C@@H]1[NH3+] ZINC000226422448 640762363 /nfs/dbraw/zinc/76/23/63/640762363.db2.gz RWYDUPBVLPSSCA-RYUDHWBXSA-N 2 1 214.353 1.208 20 0 BDADMP C[NH+]1CCC(C)(C[NH2+]Cc2c[nH]cn2)CC1 ZINC000227329806 640828124 /nfs/dbraw/zinc/82/81/24/640828124.db2.gz NGJJCVDUNRHRKG-UHFFFAOYSA-N 2 1 222.336 1.231 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000230309865 641045749 /nfs/dbraw/zinc/04/57/49/641045749.db2.gz BIKCCUGPRYFJRQ-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000230315706 641047345 /nfs/dbraw/zinc/04/73/45/641047345.db2.gz RZDXTAGHZWAMMM-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000934113849 641077300 /nfs/dbraw/zinc/07/73/00/641077300.db2.gz CVBMAXTYYUTNND-STQMWFEESA-N 2 1 237.347 1.691 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000934113849 641077306 /nfs/dbraw/zinc/07/73/06/641077306.db2.gz CVBMAXTYYUTNND-STQMWFEESA-N 2 1 237.347 1.691 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000934120073 641083969 /nfs/dbraw/zinc/08/39/69/641083969.db2.gz ZEHXLYGLRRCPLT-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[C@@H]1[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000934120073 641083974 /nfs/dbraw/zinc/08/39/74/641083974.db2.gz ZEHXLYGLRRCPLT-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[C@@H]1[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000934120073 641083978 /nfs/dbraw/zinc/08/39/78/641083978.db2.gz ZEHXLYGLRRCPLT-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000062861981 641100426 /nfs/dbraw/zinc/10/04/26/641100426.db2.gz XGDQNLPBMSUFRR-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@]1(C[N@H+]2CCCSCC2)CCC[NH2+]C1 ZINC000062862414 641100470 /nfs/dbraw/zinc/10/04/70/641100470.db2.gz BPSLBDLQICEJLG-GFCCVEGCSA-N 2 1 228.405 1.815 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862477 641100979 /nfs/dbraw/zinc/10/09/79/641100979.db2.gz KEJPGBWGEZWQIG-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC(C)(C)O1 ZINC000062867764 641103096 /nfs/dbraw/zinc/10/30/96/641103096.db2.gz MSWJNLUWFXOXSQ-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC(C)(C)O1 ZINC000062867764 641103099 /nfs/dbraw/zinc/10/30/99/641103099.db2.gz MSWJNLUWFXOXSQ-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC(C)(C)O1 ZINC000062867765 641104413 /nfs/dbraw/zinc/10/44/13/641104413.db2.gz MSWJNLUWFXOXSQ-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC(C)(C)O1 ZINC000062867765 641104417 /nfs/dbraw/zinc/10/44/17/641104417.db2.gz MSWJNLUWFXOXSQ-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1cccnc1 ZINC000934230439 641108614 /nfs/dbraw/zinc/10/86/14/641108614.db2.gz QIQVSTAASPFULY-GFCCVEGCSA-N 2 1 244.342 1.807 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313009960 641525564 /nfs/dbraw/zinc/52/55/64/641525564.db2.gz SZRFUBPNDZCFPW-OLZOCXBDSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000040775175 641536164 /nfs/dbraw/zinc/53/61/64/641536164.db2.gz KPPHOGSYMMAOMD-PBNFFQIGSA-N 2 1 240.391 1.608 20 0 BDADMP CC[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000042470409 641552619 /nfs/dbraw/zinc/55/26/19/641552619.db2.gz RCXHBRLWYJRTIS-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CCN1CCC([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000042689552 641557802 /nfs/dbraw/zinc/55/78/02/641557802.db2.gz ROFKUNXASFILTN-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCCCCC[NH3+])CC1 ZINC000042689552 641557809 /nfs/dbraw/zinc/55/78/09/641557809.db2.gz ROFKUNXASFILTN-UHFFFAOYSA-N 3 1 241.423 1.922 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000042689552 641557812 /nfs/dbraw/zinc/55/78/12/641557812.db2.gz ROFKUNXASFILTN-UHFFFAOYSA-N 3 1 241.423 1.922 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000314830835 641579698 /nfs/dbraw/zinc/57/96/98/641579698.db2.gz ZSJPYSFTZADMSH-LBPRGKRZSA-N 2 1 236.363 1.023 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000314830835 641579703 /nfs/dbraw/zinc/57/97/03/641579703.db2.gz ZSJPYSFTZADMSH-LBPRGKRZSA-N 3 1 236.363 1.023 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000314830835 641579705 /nfs/dbraw/zinc/57/97/05/641579705.db2.gz ZSJPYSFTZADMSH-LBPRGKRZSA-N 3 1 236.363 1.023 20 0 BDADMP C[C@@H]1C[C@@H](NC(=O)CCCCC[NH3+])CC[N@H+]1C ZINC000157842075 641624917 /nfs/dbraw/zinc/62/49/17/641624917.db2.gz CIZFOCNLRYRHLA-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000189081277 641787361 /nfs/dbraw/zinc/78/73/61/641787361.db2.gz XQRNGUSWRMWXAN-LBPRGKRZSA-N 2 1 237.322 1.652 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000189081277 641787365 /nfs/dbraw/zinc/78/73/65/641787365.db2.gz XQRNGUSWRMWXAN-LBPRGKRZSA-N 2 1 237.322 1.652 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723571974 711518611 /nfs/dbraw/zinc/51/86/11/711518611.db2.gz DLLXNIISXKLGBZ-JSGCOSHPSA-N 2 1 238.375 1.365 20 0 BDADMP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070821870 643071362 /nfs/dbraw/zinc/07/13/62/643071362.db2.gz RNWPQJVRWQFRAI-GFCCVEGCSA-N 2 1 227.396 1.258 20 0 BDADMP CCOCC[N@@H+](CC)C[C@@]1(C)CCC[NH2+]C1 ZINC000082538600 643339513 /nfs/dbraw/zinc/33/95/13/643339513.db2.gz KQYFYVFSAKYFOC-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cccnc1 ZINC000082560426 643342261 /nfs/dbraw/zinc/34/22/61/643342261.db2.gz BZGURIMEHRINMY-YPMHNXCESA-N 2 1 219.332 1.369 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cccnc1 ZINC000082560426 643342266 /nfs/dbraw/zinc/34/22/66/643342266.db2.gz BZGURIMEHRINMY-YPMHNXCESA-N 2 1 219.332 1.369 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000083069212 643406978 /nfs/dbraw/zinc/40/69/78/643406978.db2.gz HSEAPEAEXIEFQY-CYBMUJFWSA-N 3 1 227.396 1.389 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000084220860 643649717 /nfs/dbraw/zinc/64/97/17/643649717.db2.gz ZOOOPSILCRNBDZ-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084384541 643659625 /nfs/dbraw/zinc/65/96/25/643659625.db2.gz CPUNHUFRAFTJEP-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245244 643660914 /nfs/dbraw/zinc/66/09/14/643660914.db2.gz SRQPEGWUDDNMRO-ZDUSSCGKSA-N 2 1 234.343 1.866 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245488 643661962 /nfs/dbraw/zinc/66/19/62/643661962.db2.gz LINHWOKPBSOVAR-CYBMUJFWSA-N 2 1 234.343 1.866 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015334 643678757 /nfs/dbraw/zinc/67/87/57/643678757.db2.gz CNGZIKHNQYEWQN-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000085014283 643680393 /nfs/dbraw/zinc/68/03/93/643680393.db2.gz JJOBQTNIKGDTAG-KXNHARMFSA-N 2 1 212.337 1.223 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000075151758 643689554 /nfs/dbraw/zinc/68/95/54/643689554.db2.gz STWWMUKAHRHUDG-NSHDSACASA-N 2 1 223.320 1.462 20 0 BDADMP Cn1nccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869282 643824334 /nfs/dbraw/zinc/82/43/34/643824334.db2.gz RXQQTBWYEAEPOD-UHFFFAOYSA-N 2 1 222.336 1.122 20 0 BDADMP CC(C)OCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870098 643824727 /nfs/dbraw/zinc/82/47/27/643824727.db2.gz ZGHBPJOJVHQXCT-UHFFFAOYSA-N 2 1 214.353 1.613 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C[NH+](C)C ZINC000922754908 644087652 /nfs/dbraw/zinc/08/76/52/644087652.db2.gz VFRHMISFDZNJDM-FDYHWXHSSA-N 2 1 244.379 1.109 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C[NH+](C)C ZINC000922754909 644088018 /nfs/dbraw/zinc/08/80/18/644088018.db2.gz VFRHMISFDZNJDM-UMSGYPCISA-N 2 1 244.379 1.109 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922819517 644109250 /nfs/dbraw/zinc/10/92/50/644109250.db2.gz XXYNZIAHLGYDSN-QWHCGFSZSA-N 2 1 242.407 2.000 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H](C)C(OC)OC)CC1 ZINC000079584851 644193400 /nfs/dbraw/zinc/19/34/00/644193400.db2.gz DWRLQBDNDRUXNI-LLVKDONJSA-N 2 1 244.379 1.458 20 0 BDADMP COC[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000081079745 644308029 /nfs/dbraw/zinc/30/80/29/644308029.db2.gz AJQQHKHJSNMZKC-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000923280253 644311502 /nfs/dbraw/zinc/31/15/02/644311502.db2.gz FZHUCMCOPMAUFN-JSGCOSHPSA-N 2 1 234.343 1.309 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000923282651 644317492 /nfs/dbraw/zinc/31/74/92/644317492.db2.gz XSIAMSITVGTYDT-SECBINFHSA-N 2 1 209.293 1.018 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000923282651 644317498 /nfs/dbraw/zinc/31/74/98/644317498.db2.gz XSIAMSITVGTYDT-SECBINFHSA-N 2 1 209.293 1.018 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923291209 644326919 /nfs/dbraw/zinc/32/69/19/644326919.db2.gz BXILEJLBTMNWTM-VXGBXAGGSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923291209 644326920 /nfs/dbraw/zinc/32/69/20/644326920.db2.gz BXILEJLBTMNWTM-VXGBXAGGSA-N 2 1 214.353 1.207 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923292738 644330513 /nfs/dbraw/zinc/33/05/13/644330513.db2.gz KXNRCIJGPKILSY-CHWSQXEVSA-N 2 1 228.380 1.741 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923292738 644330521 /nfs/dbraw/zinc/33/05/21/644330521.db2.gz KXNRCIJGPKILSY-CHWSQXEVSA-N 2 1 228.380 1.741 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307368 644338559 /nfs/dbraw/zinc/33/85/59/644338559.db2.gz RYKURNYVLPUQBM-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923302359 644338809 /nfs/dbraw/zinc/33/88/09/644338809.db2.gz WEMSJTADNBWBHN-GFCCVEGCSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313637 644341233 /nfs/dbraw/zinc/34/12/33/644341233.db2.gz IICPBVICFQOVOI-UTUOFQBUSA-N 2 1 224.348 1.095 20 0 BDADMP CC[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923318263 644343463 /nfs/dbraw/zinc/34/34/63/644343463.db2.gz YKVMPFNQKGPOKX-CYDGBPFRSA-N 2 1 226.364 1.349 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)s1 ZINC000923311502 644345878 /nfs/dbraw/zinc/34/58/78/644345878.db2.gz OCPHWEDNIHQPSX-DLOVCJGASA-N 2 1 240.372 1.339 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923331103 644349677 /nfs/dbraw/zinc/34/96/77/644349677.db2.gz BSBRVEAJQBGENE-ZDUSSCGKSA-N 2 1 238.375 1.616 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923331103 644349681 /nfs/dbraw/zinc/34/96/81/644349681.db2.gz BSBRVEAJQBGENE-ZDUSSCGKSA-N 2 1 238.375 1.616 20 0 BDADMP [NH3+]C1(C[NH2+]C[C@H]2COc3ccccc3O2)CCC1 ZINC000923330938 644349742 /nfs/dbraw/zinc/34/97/42/644349742.db2.gz DHRZJSLADZXGGV-NSHDSACASA-N 2 1 248.326 1.297 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000923332031 644361263 /nfs/dbraw/zinc/36/12/63/644361263.db2.gz OJGMEXIIZWDACK-UWVGGRQHSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000923332031 644361266 /nfs/dbraw/zinc/36/12/66/644361266.db2.gz OJGMEXIIZWDACK-UWVGGRQHSA-N 2 1 223.320 1.406 20 0 BDADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358985 644368035 /nfs/dbraw/zinc/36/80/35/644368035.db2.gz NSPOZWFIEIKBLM-AVGNSLFASA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923354792 644373434 /nfs/dbraw/zinc/37/34/34/644373434.db2.gz WQRHWOAAKREDIU-KGLIPLIRSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356772 644376542 /nfs/dbraw/zinc/37/65/42/644376542.db2.gz ULHGJWLONJUHDK-CHWSQXEVSA-N 2 1 228.380 1.454 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923373090 644389618 /nfs/dbraw/zinc/38/96/18/644389618.db2.gz MHIVZMYADFNZCO-LBPRGKRZSA-N 2 1 240.347 1.156 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000923397680 644405214 /nfs/dbraw/zinc/40/52/14/644405214.db2.gz FGYLWHHVDVMRPX-RRFJBIMHSA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000923397680 644405219 /nfs/dbraw/zinc/40/52/19/644405219.db2.gz FGYLWHHVDVMRPX-RRFJBIMHSA-N 2 1 246.354 1.533 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923412206 644414355 /nfs/dbraw/zinc/41/43/55/644414355.db2.gz PZJAPHYWROQKOE-UONOGXRCSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923412206 644414359 /nfs/dbraw/zinc/41/43/59/644414359.db2.gz PZJAPHYWROQKOE-UONOGXRCSA-N 2 1 242.407 1.987 20 0 BDADMP CSC[C@H](O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923424550 644418308 /nfs/dbraw/zinc/41/83/08/644418308.db2.gz SWZFDJPPYJNBGZ-WISYIIOYSA-N 2 1 246.420 1.158 20 0 BDADMP CSC[C@H](O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923424550 644418316 /nfs/dbraw/zinc/41/83/16/644418316.db2.gz SWZFDJPPYJNBGZ-WISYIIOYSA-N 2 1 246.420 1.158 20 0 BDADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](CCO)C1)C1CCCC1 ZINC000923428713 644421298 /nfs/dbraw/zinc/42/12/98/644421298.db2.gz YVEFIIVHZLFMCJ-JSGCOSHPSA-N 2 1 240.391 1.598 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000923429405 644422352 /nfs/dbraw/zinc/42/23/52/644422352.db2.gz SWMXBLOWDRMPNX-GHMZBOCLSA-N 2 1 237.347 1.654 20 0 BDADMP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCc1c[nH+]cn1C ZINC000923435593 644428401 /nfs/dbraw/zinc/42/84/01/644428401.db2.gz JAFPDDASQRKAGQ-SRVKXCTJSA-N 2 1 236.363 1.033 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCc1c[nH+]cn1C ZINC000923435589 644428731 /nfs/dbraw/zinc/42/87/31/644428731.db2.gz JAFPDDASQRKAGQ-GRYCIOLGSA-N 2 1 236.363 1.033 20 0 BDADMP C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCC1CC[NH2+]CC1 ZINC000923438439 644431474 /nfs/dbraw/zinc/43/14/74/644431474.db2.gz ZGMYYAHJMDCXKF-AVGNSLFASA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC1CC[NH2+]CC1 ZINC000923438439 644431479 /nfs/dbraw/zinc/43/14/79/644431479.db2.gz ZGMYYAHJMDCXKF-AVGNSLFASA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCC1CC[NH2+]CC1 ZINC000923438438 644432322 /nfs/dbraw/zinc/43/23/22/644432322.db2.gz ZGMYYAHJMDCXKF-AGIUHOORSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCC1CC[NH2+]CC1 ZINC000923438438 644432326 /nfs/dbraw/zinc/43/23/26/644432326.db2.gz ZGMYYAHJMDCXKF-AGIUHOORSA-N 2 1 239.407 1.447 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000923455952 644435913 /nfs/dbraw/zinc/43/59/13/644435913.db2.gz BDAHUYDVNXHTRC-MELADBBJSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000923455952 644435916 /nfs/dbraw/zinc/43/59/16/644435916.db2.gz BDAHUYDVNXHTRC-MELADBBJSA-N 2 1 240.391 1.589 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000085438566 644441685 /nfs/dbraw/zinc/44/16/85/644441685.db2.gz LYFCQRGHXBQHMA-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085541668 644443109 /nfs/dbraw/zinc/44/31/09/644443109.db2.gz SSUJMAIZOFRWHG-TXEJJXNPSA-N 2 1 212.337 1.369 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480424 644458710 /nfs/dbraw/zinc/45/87/10/644458710.db2.gz YHJHPWFGYPHTIT-KBPBESRZSA-N 2 1 242.407 1.988 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480427 644459455 /nfs/dbraw/zinc/45/94/55/644459455.db2.gz YHJHPWFGYPHTIT-UONOGXRCSA-N 2 1 242.407 1.988 20 0 BDADMP COC(=O)CC1(C[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923481916 644459849 /nfs/dbraw/zinc/45/98/49/644459849.db2.gz VAQYVAZMGINWPZ-NSHDSACASA-N 2 1 240.347 1.000 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480885 644460131 /nfs/dbraw/zinc/46/01/31/644460131.db2.gz MEASDMXCZOJISY-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@H]1C[N@@H+](CCOC(F)F)CC[C@H]1C[NH3+] ZINC000923490320 644465156 /nfs/dbraw/zinc/46/51/56/644465156.db2.gz MTXGLYDQUNKYHR-IUCAKERBSA-N 2 1 222.279 1.142 20 0 BDADMP C[C@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@@H]1C[NH3+] ZINC000923492623 644466767 /nfs/dbraw/zinc/46/67/67/644466767.db2.gz YATVIFPPBOBGQK-CMPLNLGQSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C[NH3+] ZINC000923491876 644468103 /nfs/dbraw/zinc/46/81/03/644468103.db2.gz KBVFYUQEKFPXMP-RNJOBUHISA-N 3 1 225.380 1.031 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492298 644468169 /nfs/dbraw/zinc/46/81/69/644468169.db2.gz BMMOFGAZBAJHCY-IJLUTSLNSA-N 2 1 234.347 1.454 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nc(C)n1 ZINC000923492694 644468475 /nfs/dbraw/zinc/46/84/75/644468475.db2.gz CAHMSHVSMKXWBA-GXFFZTMASA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923493553 644469393 /nfs/dbraw/zinc/46/93/93/644469393.db2.gz ILILARGFBSHSQG-ZMLRMANQSA-N 2 1 237.347 1.961 20 0 BDADMP C[C@@H]1C[N@@H+](CCOC2CC2)CC[C@@H]1C[NH3+] ZINC000923494137 644470669 /nfs/dbraw/zinc/47/06/69/644470669.db2.gz VWSVTDASHBKGGH-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)oc1C ZINC000923497330 644472519 /nfs/dbraw/zinc/47/25/19/644472519.db2.gz DPKAQBSNTURWLZ-CABZTGNLSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923500857 644473173 /nfs/dbraw/zinc/47/31/73/644473173.db2.gz PPXJUXGMZIOESH-JQWIXIFHSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@H]1C[NH3+] ZINC000923497539 644474219 /nfs/dbraw/zinc/47/42/19/644474219.db2.gz LZZKQOHSOLOXTD-PWSUYJOCSA-N 2 1 234.347 1.081 20 0 BDADMP Fc1cccc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516215 644480220 /nfs/dbraw/zinc/48/02/20/644480220.db2.gz VFFUMURBVLPCFD-UONOGXRCSA-N 2 1 248.345 1.910 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517286 644480436 /nfs/dbraw/zinc/48/04/36/644480436.db2.gz CLPKQLAYBPFUPQ-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCC1 ZINC000923515564 644480531 /nfs/dbraw/zinc/48/05/31/644480531.db2.gz ARAIZMLESXEYJE-RTXFEEFZSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515086 644481055 /nfs/dbraw/zinc/48/10/55/644481055.db2.gz CNTRSWCCAVRNNT-XQHKEYJVSA-N 2 1 224.348 1.095 20 0 BDADMP OCCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923541401 644494900 /nfs/dbraw/zinc/49/49/00/644494900.db2.gz YOQGGTBKSLVNIK-CQSZACIVSA-N 2 1 240.391 1.757 20 0 BDADMP OCCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923541401 644494907 /nfs/dbraw/zinc/49/49/07/644494907.db2.gz YOQGGTBKSLVNIK-CQSZACIVSA-N 2 1 240.391 1.757 20 0 BDADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C[C@@H]1CC[NH2+]C1 ZINC000923557678 644500814 /nfs/dbraw/zinc/50/08/14/644500814.db2.gz NESZQLVPTCYHNN-ZIAGYGMSSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)C[C@@H]1CN(C)CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923557678 644500819 /nfs/dbraw/zinc/50/08/19/644500819.db2.gz NESZQLVPTCYHNN-ZIAGYGMSSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923557678 644500822 /nfs/dbraw/zinc/50/08/22/644500822.db2.gz NESZQLVPTCYHNN-ZIAGYGMSSA-N 2 1 239.407 1.258 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000250452402 644758711 /nfs/dbraw/zinc/75/87/11/644758711.db2.gz GNNHKDZEOAWYER-XDQVBPFNSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000250452402 644758717 /nfs/dbraw/zinc/75/87/17/644758717.db2.gz GNNHKDZEOAWYER-XDQVBPFNSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](C)C1 ZINC000251165654 644795726 /nfs/dbraw/zinc/79/57/26/644795726.db2.gz CZBHCOBYFQXUSM-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C)C1 ZINC000251165654 644795730 /nfs/dbraw/zinc/79/57/30/644795730.db2.gz CZBHCOBYFQXUSM-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000251553420 644808520 /nfs/dbraw/zinc/80/85/20/644808520.db2.gz BIPSYPDTMOIWKU-KGLIPLIRSA-N 2 1 248.370 1.982 20 0 BDADMP CC[C@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251873817 644828363 /nfs/dbraw/zinc/82/83/63/644828363.db2.gz UPYOKBKEEKUOLW-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252176927 644840103 /nfs/dbraw/zinc/84/01/03/644840103.db2.gz SEUZZLJLQQEQCD-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252176927 644840104 /nfs/dbraw/zinc/84/01/04/644840104.db2.gz SEUZZLJLQQEQCD-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP CCN1CC[C@H]([N@H+](C)CC[S@](C)=O)C[C@H]1C ZINC000827971068 645089121 /nfs/dbraw/zinc/08/91/21/645089121.db2.gz QKVOZEOHSVPBDV-WQGACYEGSA-N 2 1 246.420 1.170 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)CC[S@](C)=O)C[C@H]1C ZINC000827971068 645089125 /nfs/dbraw/zinc/08/91/25/645089125.db2.gz QKVOZEOHSVPBDV-WQGACYEGSA-N 2 1 246.420 1.170 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])C1(CN)CCC1 ZINC000843388886 645289271 /nfs/dbraw/zinc/28/92/71/645289271.db2.gz CKKOQKKDGDCVJE-UHFFFAOYSA-N 2 1 227.396 1.709 20 0 BDADMP CN(CCCCCCC[NH3+])C1(C[NH3+])CCC1 ZINC000843388886 645289274 /nfs/dbraw/zinc/28/92/74/645289274.db2.gz CKKOQKKDGDCVJE-UHFFFAOYSA-N 2 1 227.396 1.709 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccnnc1 ZINC000926574067 645292516 /nfs/dbraw/zinc/29/25/16/645292516.db2.gz UHIQSABBAHNSPA-CHWSQXEVSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C(C)(C)CO ZINC000926751990 645402136 /nfs/dbraw/zinc/40/21/36/645402136.db2.gz BWDAUVRIPRBPCH-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCC(C)C ZINC000221886249 645893784 /nfs/dbraw/zinc/89/37/84/645893784.db2.gz UXNYVTNQOPPPGM-LLVKDONJSA-N 2 1 228.384 1.487 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccco1 ZINC000924542122 646062130 /nfs/dbraw/zinc/06/21/30/646062130.db2.gz ZGZFFGSUCQCDMS-QYJAPNMZSA-N 2 1 220.316 1.709 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccco1 ZINC000924542122 646062136 /nfs/dbraw/zinc/06/21/36/646062136.db2.gz ZGZFFGSUCQCDMS-QYJAPNMZSA-N 2 1 220.316 1.709 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C1CC[NH+](C)CC1 ZINC000924574916 646072125 /nfs/dbraw/zinc/07/21/25/646072125.db2.gz HJSHFRWDJIHQSC-GHMZBOCLSA-N 2 1 226.364 1.341 20 0 BDADMP Fc1cccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000929313168 646072951 /nfs/dbraw/zinc/07/29/51/646072951.db2.gz QRZMEFMYYQTZIE-STQMWFEESA-N 2 1 234.318 1.519 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCO1 ZINC000924802761 646110172 /nfs/dbraw/zinc/11/01/72/646110172.db2.gz KMLXEMRKPXTVKD-WJLOJVBCSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000925012805 646157915 /nfs/dbraw/zinc/15/79/15/646157915.db2.gz WQYVNWMURXQGKN-JHJVBQTASA-N 2 1 240.391 1.589 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCOC1 ZINC000925052093 646168454 /nfs/dbraw/zinc/16/84/54/646168454.db2.gz AEQRNGUPVRLMOZ-QNMSZWNNSA-N 2 1 238.375 1.343 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000929637664 646215181 /nfs/dbraw/zinc/21/51/81/646215181.db2.gz MOFNVUCVBUSZMZ-KBPBESRZSA-N 2 1 242.407 1.789 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCc2cccnc2)C1 ZINC000929637480 646215417 /nfs/dbraw/zinc/21/54/17/646215417.db2.gz JFCFWPVKZNFQHS-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C(C)C ZINC000929637665 646216239 /nfs/dbraw/zinc/21/62/39/646216239.db2.gz MOFNVUCVBUSZMZ-KGLIPLIRSA-N 2 1 242.407 1.789 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925369292 646253102 /nfs/dbraw/zinc/25/31/02/646253102.db2.gz HBWLDTDZOYCIDA-YVECIDJPSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925369292 646253104 /nfs/dbraw/zinc/25/31/04/646253104.db2.gz HBWLDTDZOYCIDA-YVECIDJPSA-N 2 1 208.349 1.859 20 0 BDADMP C[N@H+](CCOC1CC1)CC[C@H]1CCCC[NH+]1C ZINC000929721732 646273913 /nfs/dbraw/zinc/27/39/13/646273913.db2.gz FDIWYOASKGBBFU-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CCOC1CC1)CC[C@H]1CCCC[NH+]1C ZINC000929721732 646273924 /nfs/dbraw/zinc/27/39/24/646273924.db2.gz FDIWYOASKGBBFU-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CCOC1CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000929721732 646273932 /nfs/dbraw/zinc/27/39/32/646273932.db2.gz FDIWYOASKGBBFU-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CCOC1CC1)CC[C@H]1CCCC[N@H+]1C ZINC000929721732 646273938 /nfs/dbraw/zinc/27/39/38/646273938.db2.gz FDIWYOASKGBBFU-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925479015 646293019 /nfs/dbraw/zinc/29/30/19/646293019.db2.gz PRGOHOSHIJCMRE-QWHCGFSZSA-N 2 1 240.391 1.658 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925481214 646294362 /nfs/dbraw/zinc/29/43/62/646294362.db2.gz IEHXIZUVYYZUQG-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925482546 646295431 /nfs/dbraw/zinc/29/54/31/646295431.db2.gz NIBXPRIGPMMSDD-QJPTWQEYSA-N 2 1 226.364 1.268 20 0 BDADMP CC[NH+]1CCC(CN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925485994 646296472 /nfs/dbraw/zinc/29/64/72/646296472.db2.gz FNXSQYBRGWVMEI-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP CSCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925502514 646306658 /nfs/dbraw/zinc/30/66/58/646306658.db2.gz FPVYOHQXLDLIIH-JTQLQIEISA-N 2 1 214.378 1.614 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CC2)C[C@@H]1C ZINC000929783033 646311614 /nfs/dbraw/zinc/31/16/14/646311614.db2.gz YHRRUZBNEYEBEK-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CC2)C[C@@H]1C ZINC000929783033 646311620 /nfs/dbraw/zinc/31/16/20/646311620.db2.gz YHRRUZBNEYEBEK-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CC2)C[C@@H]1C ZINC000929783033 646311624 /nfs/dbraw/zinc/31/16/24/646311624.db2.gz YHRRUZBNEYEBEK-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)CCCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925521591 646314531 /nfs/dbraw/zinc/31/45/31/646314531.db2.gz OIGWFDGSQUGTOI-LLVKDONJSA-N 2 1 213.369 1.058 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925529198 646316688 /nfs/dbraw/zinc/31/66/88/646316688.db2.gz ZPSMIGWRVYCPKN-OLZOCXBDSA-N 2 1 242.407 1.905 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925528990 646317634 /nfs/dbraw/zinc/31/76/34/646317634.db2.gz HUDLLXKQNBEFMC-CYBMUJFWSA-N 2 1 239.407 1.593 20 0 BDADMP Cc1[nH+]ccn1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925533784 646319457 /nfs/dbraw/zinc/31/94/57/646319457.db2.gz FVGSDROIHSQFJO-GFCCVEGCSA-N 2 1 234.347 1.066 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1cccnc1 ZINC000925536118 646321712 /nfs/dbraw/zinc/32/17/12/646321712.db2.gz NFWLYIINCXTLLT-GFCCVEGCSA-N 2 1 219.332 1.354 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000925536539 646322740 /nfs/dbraw/zinc/32/27/40/646322740.db2.gz FSSXDOLPTYGABM-YPMHNXCESA-N 2 1 237.391 1.201 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000925553771 646327130 /nfs/dbraw/zinc/32/71/30/646327130.db2.gz VPANMUBZGHTIRK-ZJUUUORDSA-N 2 1 214.378 1.612 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925556710 646330597 /nfs/dbraw/zinc/33/05/97/646330597.db2.gz MDDPLHRNCJFZCB-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925556474 646331194 /nfs/dbraw/zinc/33/11/94/646331194.db2.gz JNQDMHHEOOIOPJ-OLZOCXBDSA-N 2 1 227.396 1.447 20 0 BDADMP C[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925556716 646331527 /nfs/dbraw/zinc/33/15/27/646331527.db2.gz MDDPLHRNCJFZCB-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925555394 646331875 /nfs/dbraw/zinc/33/18/75/646331875.db2.gz FHULGCFPKXAZIP-NSHDSACASA-N 2 1 213.369 1.057 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925555389 646332041 /nfs/dbraw/zinc/33/20/41/646332041.db2.gz FDXKQVLILAMJAV-LBPRGKRZSA-N 2 1 227.396 1.447 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925573488 646341922 /nfs/dbraw/zinc/34/19/22/646341922.db2.gz OAQOMDMSKPFQCX-BFHYXJOUSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@](O)(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925607486 646357127 /nfs/dbraw/zinc/35/71/27/646357127.db2.gz BTSPEELANQVKHS-QWHCGFSZSA-N 2 1 238.375 1.412 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000929847190 646358590 /nfs/dbraw/zinc/35/85/90/646358590.db2.gz LUYRGRCWVXRWIU-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929847190 646358595 /nfs/dbraw/zinc/35/85/95/646358595.db2.gz LUYRGRCWVXRWIU-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929847190 646358600 /nfs/dbraw/zinc/35/86/00/646358600.db2.gz LUYRGRCWVXRWIU-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP c1coc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925611259 646360318 /nfs/dbraw/zinc/36/03/18/646360318.db2.gz LIYKXICHOBPEIG-LBPRGKRZSA-N 2 1 220.316 1.696 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925611166 646361115 /nfs/dbraw/zinc/36/11/15/646361115.db2.gz AXVMAWWOJHQFLW-VXGBXAGGSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000925641444 646381518 /nfs/dbraw/zinc/38/15/18/646381518.db2.gz YCQMYOUUCDOYKT-GHYVTOPFSA-N 2 1 238.375 1.674 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000925644341 646384665 /nfs/dbraw/zinc/38/46/65/646384665.db2.gz LSADUKVCLIFXGW-GHMZBOCLSA-N 2 1 210.321 1.409 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925646623 646386424 /nfs/dbraw/zinc/38/64/24/646386424.db2.gz VMAYWVMZGQEPOK-GARJFASQSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCC1CC(O)C1)c1ccccc1 ZINC000925652253 646392540 /nfs/dbraw/zinc/39/25/40/646392540.db2.gz PBNIWTRHWOKGNC-BNQIPGGESA-N 2 1 248.370 1.826 20 0 BDADMP C[C@H](O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925655433 646394777 /nfs/dbraw/zinc/39/47/77/646394777.db2.gz VFDGNPIEAWXIAZ-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP OC[C@H](CC1CCC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925674227 646403157 /nfs/dbraw/zinc/40/31/57/646403157.db2.gz QAVLDQLXABKGSA-STQMWFEESA-N 2 1 238.375 1.412 20 0 BDADMP Cc1nccnc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925673250 646403586 /nfs/dbraw/zinc/40/35/86/646403586.db2.gz BTHXRLPCIDOAGH-GFCCVEGCSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000925686983 646410415 /nfs/dbraw/zinc/41/04/15/646410415.db2.gz CZYHGRIWPOWXIY-WUHRBBMRSA-N 2 1 226.364 1.268 20 0 BDADMP Cc1cccnc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925683424 646411012 /nfs/dbraw/zinc/41/10/12/646411012.db2.gz QFIRCQKKJPQJIY-CYBMUJFWSA-N 2 1 233.359 1.663 20 0 BDADMP COCC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925686414 646412674 /nfs/dbraw/zinc/41/26/74/646412674.db2.gz SWJODAPKNAAYHX-TUAOUCFPSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]CCCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925689675 646414440 /nfs/dbraw/zinc/41/44/40/646414440.db2.gz HVZHBNRGVVCHQX-AWEZNQCLSA-N 2 1 235.375 1.666 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000925689534 646416320 /nfs/dbraw/zinc/41/63/20/646416320.db2.gz BLRBEMNOGAAKLZ-VYESFELBSA-N 3 1 247.386 1.934 20 0 BDADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925691087 646416780 /nfs/dbraw/zinc/41/67/80/646416780.db2.gz IJTYDZBFTCMEJE-UPJWGTAASA-N 3 1 239.407 1.482 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000925691093 646416953 /nfs/dbraw/zinc/41/69/53/646416953.db2.gz IJTYDZBFTCMEJE-YNEHKIRRSA-N 3 1 239.407 1.482 20 0 BDADMP CC1(C[NH2+][C@H]2C[C@H](N)C23CCC3)CC[NH2+]CC1 ZINC000925697403 646421480 /nfs/dbraw/zinc/42/14/80/646421480.db2.gz FTJCDVVXMSZQKB-RYUDHWBXSA-N 2 1 237.391 1.236 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925697687 646422852 /nfs/dbraw/zinc/42/28/52/646422852.db2.gz HJOHUINQKBAGQL-MRVWCRGKSA-N 3 1 239.407 1.339 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CC1 ZINC000925699450 646423253 /nfs/dbraw/zinc/42/32/53/646423253.db2.gz OWGVAQYZEJMTKG-SYQHCUMBSA-N 2 1 238.375 1.519 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C12CCC2 ZINC000925702048 646425058 /nfs/dbraw/zinc/42/50/58/646425058.db2.gz JWBJHEUTRFIGHD-OLZOCXBDSA-N 2 1 237.391 1.236 20 0 BDADMP C1[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C12CC[NH2+]CC2 ZINC000925709660 646434268 /nfs/dbraw/zinc/43/42/68/646434268.db2.gz PIIILGFYSFSWKI-CHWSQXEVSA-N 3 1 249.402 1.393 20 0 BDADMP CC[C@@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925711833 646435743 /nfs/dbraw/zinc/43/57/43/646435743.db2.gz SMQZYEGBYLUSAO-KGLIPLIRSA-N 2 1 235.375 1.794 20 0 BDADMP CC[C@@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925711835 646436809 /nfs/dbraw/zinc/43/68/09/646436809.db2.gz SMQZYEGBYLUSAO-ZIAGYGMSSA-N 2 1 235.375 1.794 20 0 BDADMP CC[C@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925711832 646436921 /nfs/dbraw/zinc/43/69/21/646436921.db2.gz SMQZYEGBYLUSAO-KBPBESRZSA-N 2 1 235.375 1.794 20 0 BDADMP [NH3+]Cc1ccc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925713449 646438617 /nfs/dbraw/zinc/43/86/17/646438617.db2.gz SWDKDZMHMVIVQK-KGLIPLIRSA-N 2 1 245.370 1.505 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1SCCS1 ZINC000925717618 646442487 /nfs/dbraw/zinc/44/24/87/646442487.db2.gz VEOXUECQLOFSFH-SECBINFHSA-N 2 1 246.445 1.913 20 0 BDADMP CC(C)CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925719975 646444034 /nfs/dbraw/zinc/44/40/34/646444034.db2.gz RHBLOZCJECZSRY-STQMWFEESA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)[C@@H](C)O1 ZINC000925726622 646451181 /nfs/dbraw/zinc/45/11/81/646451181.db2.gz VALKPEAEHQUMIS-ZNSHCXBVSA-N 2 1 212.337 1.282 20 0 BDADMP C[N@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@H]2CCC[C@H]21 ZINC000925738051 646461185 /nfs/dbraw/zinc/46/11/85/646461185.db2.gz MGXQLYKTMJONFF-FRRDWIJNSA-N 3 1 239.407 1.576 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]2CCC[C@H]21 ZINC000925738051 646461186 /nfs/dbraw/zinc/46/11/86/646461186.db2.gz MGXQLYKTMJONFF-FRRDWIJNSA-N 3 1 239.407 1.576 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]2CCC[C@H]21 ZINC000925738051 646461189 /nfs/dbraw/zinc/46/11/89/646461189.db2.gz MGXQLYKTMJONFF-FRRDWIJNSA-N 3 1 239.407 1.576 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000925760399 646466190 /nfs/dbraw/zinc/46/61/90/646466190.db2.gz MJWDEHFEZYHINM-CHWSQXEVSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H](NCc2cc(N)cc[nH+]2)[C@H](C)O1 ZINC000925768052 646469393 /nfs/dbraw/zinc/46/93/93/646469393.db2.gz RQZAMSQWUALKCI-PTRXPTGYSA-N 2 1 221.304 1.319 20 0 BDADMP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000925774386 646472683 /nfs/dbraw/zinc/47/26/83/646472683.db2.gz UYCRBUNBLVMTSA-SDDRHHMPSA-N 2 1 210.321 1.040 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000925781081 646477074 /nfs/dbraw/zinc/47/70/74/646477074.db2.gz CZNFSGDZIPGIKY-NZEXEKPDSA-N 2 1 238.375 1.388 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccco1 ZINC000925790025 646484462 /nfs/dbraw/zinc/48/44/62/646484462.db2.gz FBJCCSFAWDGWHI-MXWKQRLJSA-N 2 1 208.305 1.786 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925822211 646495099 /nfs/dbraw/zinc/49/50/99/646495099.db2.gz JZUGKRPJMNPRGG-NMIFLECGSA-N 2 1 208.349 1.761 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832846 646501063 /nfs/dbraw/zinc/50/10/63/646501063.db2.gz QDHSHTCGZVIANV-UTINFBMNSA-N 2 1 236.281 1.915 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841132 646506386 /nfs/dbraw/zinc/50/63/86/646506386.db2.gz FIRDCNXLOSCPLB-REWJHTLYSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841132 646506393 /nfs/dbraw/zinc/50/63/93/646506393.db2.gz FIRDCNXLOSCPLB-REWJHTLYSA-N 2 1 237.391 1.058 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000925857527 646511287 /nfs/dbraw/zinc/51/12/87/646511287.db2.gz MLVATSKNOVMICF-AVGNSLFASA-N 2 1 228.380 1.658 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCc2cccnc21)C1C[NH2+]C1 ZINC000925872704 646524153 /nfs/dbraw/zinc/52/41/53/646524153.db2.gz XZQVEUPPKOHTBW-MFKMUULPSA-N 2 1 231.343 1.657 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926203393 646594610 /nfs/dbraw/zinc/59/46/10/646594610.db2.gz KLPZJPCRGGDUIN-OUCADQQQSA-N 2 1 231.343 1.907 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926330811 646618455 /nfs/dbraw/zinc/61/84/55/646618455.db2.gz OFEMICMNTHCHMK-RQJABVFESA-N 2 1 242.407 1.977 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(C)CO ZINC000926507737 646667561 /nfs/dbraw/zinc/66/75/61/646667561.db2.gz JZGBINGFXZKZRF-FUNVUKJBSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000382657873 711546564 /nfs/dbraw/zinc/54/65/64/711546564.db2.gz HXTFGXORLCLNEC-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000382657873 711546567 /nfs/dbraw/zinc/54/65/67/711546567.db2.gz HXTFGXORLCLNEC-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]([NH+](C)C)[C@H]2C)c(C)[nH+]1 ZINC000724782500 711612519 /nfs/dbraw/zinc/61/25/19/711612519.db2.gz CDGORNQWBUJVHL-MFKMUULPSA-N 2 1 236.363 1.551 20 0 BDADMP C[C@H]1CSCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000725661610 711668753 /nfs/dbraw/zinc/66/87/53/711668753.db2.gz MEQGXCSMRVCXRL-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396604395 711702642 /nfs/dbraw/zinc/70/26/42/711702642.db2.gz IDORMOVTWPUDCJ-VXGBXAGGSA-N 2 1 228.380 1.515 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](COC)C(C)C ZINC000721913689 711918051 /nfs/dbraw/zinc/91/80/51/711918051.db2.gz PNDKXAUZESOYRG-CHWSQXEVSA-N 2 1 228.380 1.589 20 0 BDADMP CN1C[C@@H]2C[N@@H+](CCCCCC[NH3+])C[C@]2(C)C1 ZINC000702252476 712041780 /nfs/dbraw/zinc/04/17/80/712041780.db2.gz RDYQXFZIKHHXGM-KGLIPLIRSA-N 2 1 239.407 1.389 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000702520664 712054663 /nfs/dbraw/zinc/05/46/63/712054663.db2.gz NWWFLSXQSOMYDY-GHMZBOCLSA-N 2 1 214.328 1.999 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703023204 712065403 /nfs/dbraw/zinc/06/54/03/712065403.db2.gz JLDAASASUGJNMD-HSBZDZAISA-N 2 1 242.407 1.998 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703023204 712065405 /nfs/dbraw/zinc/06/54/05/712065405.db2.gz JLDAASASUGJNMD-HSBZDZAISA-N 2 1 242.407 1.998 20 0 BDADMP COC1CC(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1 ZINC000703870374 712092044 /nfs/dbraw/zinc/09/20/44/712092044.db2.gz DVWSGUXTMKOSGO-WCCYQHBJSA-N 2 1 240.391 1.717 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000709695305 712216062 /nfs/dbraw/zinc/21/60/62/712216062.db2.gz DRPMNHPJKOARAT-GHMZBOCLSA-N 2 1 228.380 1.859 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2ccns2)CC1 ZINC000710027690 712242138 /nfs/dbraw/zinc/24/21/38/712242138.db2.gz QUJJVDDPQYHYSD-UHFFFAOYSA-N 2 1 225.361 1.369 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)C1 ZINC000710326354 712252110 /nfs/dbraw/zinc/25/21/10/712252110.db2.gz VYJRAGPINRDKJR-XJFOESAGSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCc1cn[nH]c1 ZINC000710728799 712255506 /nfs/dbraw/zinc/25/55/06/712255506.db2.gz DYDAKCUSRXVGIE-UHFFFAOYSA-N 2 1 224.352 1.403 20 0 BDADMP CN(C(=O)C[N@@H+](C)CCCCCC[NH3+])C1CC1 ZINC000710751021 712256073 /nfs/dbraw/zinc/25/60/73/712256073.db2.gz QSFJAANIVNVHSQ-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H]1CCC[N@H+](CCOC2CC2)[C@@H]1C[NH3+] ZINC000711681924 712316404 /nfs/dbraw/zinc/31/64/04/712316404.db2.gz OQBGRACFDKPRIN-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOC2CC2)[C@@H]1C[NH3+] ZINC000711681924 712316405 /nfs/dbraw/zinc/31/64/05/712316405.db2.gz OQBGRACFDKPRIN-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC[C@@H]1CC[NH2+]C1 ZINC000923435141 712322170 /nfs/dbraw/zinc/32/21/70/712322170.db2.gz DRELJIDAVBFNOJ-CYDGBPFRSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713584359 712465973 /nfs/dbraw/zinc/46/59/73/712465973.db2.gz DQEYHUSJULYXJT-YNEHKIRRSA-N 2 1 240.391 1.861 20 0 BDADMP C1COC2(CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)O1 ZINC000715755047 712531717 /nfs/dbraw/zinc/53/17/17/712531717.db2.gz LNXHCSGUFIUWQI-GFCCVEGCSA-N 2 1 240.347 1.014 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](CC)CC1 ZINC000716803094 712575236 /nfs/dbraw/zinc/57/52/36/712575236.db2.gz SNELGCRQKDUKAV-NWDGAFQWSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000037485311 712650952 /nfs/dbraw/zinc/65/09/52/712650952.db2.gz SRLYDIZYWIIABP-QWRGUYRKSA-N 2 1 208.349 1.859 20 0 BDADMP CSCC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000719266113 712801879 /nfs/dbraw/zinc/80/18/79/712801879.db2.gz JAEOVXCTEZFMSO-UHFFFAOYSA-N 2 1 216.394 1.799 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1[NH3+] ZINC000719845910 712825672 /nfs/dbraw/zinc/82/56/72/712825672.db2.gz QRERWWNAKNTMOO-JQWIXIFHSA-N 2 1 239.388 1.745 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000381398980 710631561 /nfs/dbraw/zinc/63/15/61/710631561.db2.gz AXONPQBPSJBEQI-IFWUJCSASA-N 2 1 226.364 1.077 20 0 BDADMP FC1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000381519209 710650536 /nfs/dbraw/zinc/65/05/36/710650536.db2.gz VBOUFVJYTNQOCO-UHFFFAOYSA-N 2 1 212.312 1.564 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H](OC)C2)CC[C@H]1[NH3+] ZINC000721910746 710690295 /nfs/dbraw/zinc/69/02/95/710690295.db2.gz YLSAMDBBCMMBOZ-FVCCEPFGSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380457299 712900960 /nfs/dbraw/zinc/90/09/60/712900960.db2.gz PFGFEYKOQGESHS-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380457299 712900961 /nfs/dbraw/zinc/90/09/61/712900961.db2.gz PFGFEYKOQGESHS-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000380532238 712901281 /nfs/dbraw/zinc/90/12/81/712901281.db2.gz DVRALTRJHCRLNP-VOAKCMCISA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000380532238 712901282 /nfs/dbraw/zinc/90/12/82/712901282.db2.gz DVRALTRJHCRLNP-VOAKCMCISA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396544575 710906992 /nfs/dbraw/zinc/90/69/92/710906992.db2.gz BPOBAGGWMGOPOS-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000398579709 710910971 /nfs/dbraw/zinc/91/09/71/710910971.db2.gz SQMNRTAEYSJFMX-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000383874788 710986555 /nfs/dbraw/zinc/98/65/55/710986555.db2.gz BPFBQWDXXTWNKQ-MCIONIFRSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000383874788 710986558 /nfs/dbraw/zinc/98/65/58/710986558.db2.gz BPFBQWDXXTWNKQ-MCIONIFRSA-N 2 1 240.391 1.706 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(O)c(F)c1 ZINC000385113592 711005512 /nfs/dbraw/zinc/00/55/12/711005512.db2.gz BGGIARBOGGQHIX-UHFFFAOYSA-N 2 1 249.289 1.826 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385616557 711016003 /nfs/dbraw/zinc/01/60/03/711016003.db2.gz PABPOWOWZZRCBY-JIGBKUHMSA-N 2 1 246.354 1.797 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000389630402 711083945 /nfs/dbraw/zinc/08/39/45/711083945.db2.gz LZWCANVUMKNPJG-UTUOFQBUSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000389706343 711088084 /nfs/dbraw/zinc/08/80/84/711088084.db2.gz LBJJGDKWQYJZNY-KXUCPTDWSA-N 2 1 220.307 1.947 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000389706343 711088087 /nfs/dbraw/zinc/08/80/87/711088087.db2.gz LBJJGDKWQYJZNY-KXUCPTDWSA-N 2 1 220.307 1.947 20 0 BDADMP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000390476386 711120098 /nfs/dbraw/zinc/12/00/98/711120098.db2.gz JHDSOYYRRYTVIO-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000390476386 711120103 /nfs/dbraw/zinc/12/01/03/711120103.db2.gz JHDSOYYRRYTVIO-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP c1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)nc1 ZINC000392897055 711153580 /nfs/dbraw/zinc/15/35/80/711153580.db2.gz XYVPRQVJKQZHHY-XSXPHNMFSA-N 2 1 243.354 1.210 20 0 BDADMP Cn1c(Cl)cnc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393378289 711157815 /nfs/dbraw/zinc/15/78/15/711157815.db2.gz UQOFGCKILXMBJQ-RKDXNWHRSA-N 2 1 242.754 1.433 20 0 BDADMP CSCCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396626475 711360846 /nfs/dbraw/zinc/36/08/46/711360846.db2.gz FOTGKEOTEQWCTQ-QWRGUYRKSA-N 2 1 216.394 1.860 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000396611789 711361469 /nfs/dbraw/zinc/36/14/69/711361469.db2.gz REDQPLNHHOGOAL-WDEREUQCSA-N 2 1 241.379 1.021 20 0 BDADMP CCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCOCC1 ZINC000396598666 711354964 /nfs/dbraw/zinc/35/49/64/711354964.db2.gz MKDMIXSQQKSJOT-QWHCGFSZSA-N 2 1 240.391 1.923 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396588911 711356606 /nfs/dbraw/zinc/35/66/06/711356606.db2.gz VYXBNDPJFOLIBZ-AEJSXWLSSA-N 2 1 202.367 1.468 20 0 BDADMP COCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396585934 711357282 /nfs/dbraw/zinc/35/72/82/711357282.db2.gz HPCOPAKRDDQHLJ-NWDGAFQWSA-N 2 1 226.364 1.533 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396719564 711366635 /nfs/dbraw/zinc/36/66/35/711366635.db2.gz SNQFEDPXCXLXAJ-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396724125 711368069 /nfs/dbraw/zinc/36/80/69/711368069.db2.gz XRRYQWMCFJYHAS-SRVKXCTJSA-N 2 1 214.353 1.124 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOC(F)F ZINC000398273184 711406137 /nfs/dbraw/zinc/40/61/37/711406137.db2.gz HNTOVJYBXSYKRA-PBINXNQUSA-N 2 1 234.290 1.570 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOC(F)F ZINC000398273184 711406139 /nfs/dbraw/zinc/40/61/39/711406139.db2.gz HNTOVJYBXSYKRA-PBINXNQUSA-N 2 1 234.290 1.570 20 0 BDADMP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCOC1 ZINC000398861078 711415601 /nfs/dbraw/zinc/41/56/01/711415601.db2.gz XVNMCQVULXXAAX-WOPDTQHZSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1COCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000399285679 711425447 /nfs/dbraw/zinc/42/54/47/711425447.db2.gz VQXLBMVSEUHDDO-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP COC[C@H](C[N@@H+](C)CCC[NH3+])C(C)C ZINC000721965366 710695639 /nfs/dbraw/zinc/69/56/39/710695639.db2.gz QFIBQAWPKUYCBT-NSHDSACASA-N 2 1 202.342 1.186 20 0 BDADMP COCCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396640045 711362385 /nfs/dbraw/zinc/36/23/85/711362385.db2.gz MNBJAVMYQDDDNR-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000396677561 711364050 /nfs/dbraw/zinc/36/40/50/711364050.db2.gz UIESNTGEWLZANM-RYUDHWBXSA-N 2 1 228.380 1.515 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396674319 711365234 /nfs/dbraw/zinc/36/52/34/711365234.db2.gz RYSNWMUKOKHQCU-UPJWGTAASA-N 2 1 228.380 1.515 20 0 BDADMP COc1ccccc1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396701373 711366714 /nfs/dbraw/zinc/36/67/14/711366714.db2.gz NDCNKVQGBNTBAB-OCCSQVGLSA-N 2 1 248.370 1.968 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000397604537 711387254 /nfs/dbraw/zinc/38/72/54/711387254.db2.gz ADHNNKXICLDFDZ-TUAOUCFPSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000397852992 711394119 /nfs/dbraw/zinc/39/41/19/711394119.db2.gz SYYGTXQYFFZNLR-JQWIXIFHSA-N 2 1 210.321 1.063 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000123881406 711507034 /nfs/dbraw/zinc/50/70/34/711507034.db2.gz RGPLJRAIVCHGMD-LBPRGKRZSA-N 2 1 246.354 1.553 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000123881406 711507036 /nfs/dbraw/zinc/50/70/36/711507036.db2.gz RGPLJRAIVCHGMD-LBPRGKRZSA-N 2 1 246.354 1.553 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723571974 711518609 /nfs/dbraw/zinc/51/86/09/711518609.db2.gz DLLXNIISXKLGBZ-JSGCOSHPSA-N 2 1 238.375 1.365 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723653730 711531069 /nfs/dbraw/zinc/53/10/69/711531069.db2.gz DEACLRCZGPMGAN-LLVKDONJSA-N 2 1 223.320 1.462 20 0 BDADMP [NH3+]CC[C@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000723714067 711535697 /nfs/dbraw/zinc/53/56/97/711535697.db2.gz ZEBWACCNLMVQDI-VIFPVBQESA-N 2 1 244.289 1.449 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000723714067 711535698 /nfs/dbraw/zinc/53/56/98/711535698.db2.gz ZEBWACCNLMVQDI-VIFPVBQESA-N 2 1 244.289 1.449 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nc1 ZINC000723891354 711543771 /nfs/dbraw/zinc/54/37/71/711543771.db2.gz MAENUARGMNYEBT-CHWSQXEVSA-N 2 1 233.359 1.807 20 0 BDADMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)on1 ZINC000723893515 711544269 /nfs/dbraw/zinc/54/42/69/711544269.db2.gz ADHQLDJWDGQHAJ-NXEZZACHSA-N 2 1 239.319 1.100 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1CC[NH3+] ZINC000723900392 711544652 /nfs/dbraw/zinc/54/46/52/711544652.db2.gz BNDLHNQTBBVGTN-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP COC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899781 711544687 /nfs/dbraw/zinc/54/46/87/711544687.db2.gz MYIDVCCSLUYRFP-QJPTWQEYSA-N 2 1 214.353 1.186 20 0 BDADMP COCCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901344 711545180 /nfs/dbraw/zinc/54/51/80/711545180.db2.gz FPOPHJMAPVUZKJ-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]([NH+](C)C)[C@H]2C)c(C)[nH+]1 ZINC000724782501 711613266 /nfs/dbraw/zinc/61/32/66/711613266.db2.gz CDGORNQWBUJVHL-ZWNOBZJWSA-N 2 1 236.363 1.551 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+][C@H]2C)O1 ZINC000398094837 711708719 /nfs/dbraw/zinc/70/87/19/711708719.db2.gz POYAYHBTXNPRAF-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP C[N@@H+](CCCC(C)(C)C)CCN1CC[NH2+]CC1 ZINC000302256921 711719969 /nfs/dbraw/zinc/71/99/69/711719969.db2.gz DCPOBOSLWGZJSB-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722324736 711737332 /nfs/dbraw/zinc/73/73/32/711737332.db2.gz MSTHWLZBQGIKJS-PYJNHQTQSA-N 2 1 238.375 1.674 20 0 BDADMP CN(C)c1ccnc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000925814299 711755061 /nfs/dbraw/zinc/75/50/61/711755061.db2.gz KFRWHDCPZXPVSK-NEPJUHHUSA-N 2 1 248.374 1.507 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2scnc2Cl)C1 ZINC000721906296 711813604 /nfs/dbraw/zinc/81/36/04/711813604.db2.gz HSMWMYIHEWVGCI-MRVPVSSYSA-N 2 1 245.779 1.967 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000226029428 711830031 /nfs/dbraw/zinc/83/00/31/711830031.db2.gz BPHLACHCHZATFF-VHDGCEQUSA-N 2 1 248.370 1.779 20 0 BDADMP C([NH2+][C@@H]1CCCSC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061588236 711839117 /nfs/dbraw/zinc/83/91/17/711839117.db2.gz BQIMJNZPEDGVED-NWDGAFQWSA-N 2 1 240.416 1.956 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000721918294 711919651 /nfs/dbraw/zinc/91/96/51/711919651.db2.gz DCRXZPULRQKHLJ-WYUUTHIRSA-N 2 1 212.337 1.081 20 0 BDADMP COC[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])C(C)C ZINC000721918595 711920034 /nfs/dbraw/zinc/92/00/34/711920034.db2.gz KSCJOGXCMATWQM-LLVKDONJSA-N 2 1 216.369 1.574 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000132514388 711961146 /nfs/dbraw/zinc/96/11/46/711961146.db2.gz VKHAWIJOKKCWGO-KXNHARMFSA-N 2 1 228.405 1.668 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000700256380 711988888 /nfs/dbraw/zinc/98/88/88/711988888.db2.gz GVASDLGAKDOHGE-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000700405577 711992322 /nfs/dbraw/zinc/99/23/22/711992322.db2.gz TYHYCWICEOZZOV-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000700405577 711992324 /nfs/dbraw/zinc/99/23/24/711992324.db2.gz TYHYCWICEOZZOV-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCc1cccnc1)C2 ZINC000702069941 712037113 /nfs/dbraw/zinc/03/71/13/712037113.db2.gz VENTZCPGVBKDLR-UONOGXRCSA-N 2 1 231.343 1.165 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000702111316 712039052 /nfs/dbraw/zinc/03/90/52/712039052.db2.gz PZCAXKMJSLMZQU-BFHYXJOUSA-N 2 1 238.375 1.487 20 0 BDADMP CN1C[C@@H]2C[N@H+](CCCCCC[NH3+])C[C@]2(C)C1 ZINC000702252476 712041779 /nfs/dbraw/zinc/04/17/79/712041779.db2.gz RDYQXFZIKHHXGM-KGLIPLIRSA-N 2 1 239.407 1.389 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCCCCC[NH3+])C[C@]2(C)C1 ZINC000702252476 712041772 /nfs/dbraw/zinc/04/17/72/712041772.db2.gz RDYQXFZIKHHXGM-KGLIPLIRSA-N 2 1 239.407 1.389 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCCCC[NH3+])C[C@]2(C)C1 ZINC000702252476 712041774 /nfs/dbraw/zinc/04/17/74/712041774.db2.gz RDYQXFZIKHHXGM-KGLIPLIRSA-N 3 1 239.407 1.389 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCCC[NH3+])C[C@]2(C)C1 ZINC000702252476 712041776 /nfs/dbraw/zinc/04/17/76/712041776.db2.gz RDYQXFZIKHHXGM-KGLIPLIRSA-N 3 1 239.407 1.389 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H](C)C1 ZINC000703287641 712070852 /nfs/dbraw/zinc/07/08/52/712070852.db2.gz ZRTUKDOSEOEEHF-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccn1 ZINC000703503963 712077503 /nfs/dbraw/zinc/07/75/03/712077503.db2.gz RKQPQRUIVIWXOL-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC000703576808 712079181 /nfs/dbraw/zinc/07/91/81/712079181.db2.gz LYRZIDATYXVPAO-FRRDWIJNSA-N 2 1 248.374 1.286 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703614506 712081158 /nfs/dbraw/zinc/08/11/58/712081158.db2.gz ODQMRJORIFCRIA-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703614506 712081159 /nfs/dbraw/zinc/08/11/59/712081159.db2.gz ODQMRJORIFCRIA-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000703816753 712089534 /nfs/dbraw/zinc/08/95/34/712089534.db2.gz NDNJRTUNWIJRLE-WSOGJNRSSA-N 2 1 238.375 1.626 20 0 BDADMP COC1CC(C[N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000703866541 712091469 /nfs/dbraw/zinc/09/14/69/712091469.db2.gz INUOLFHLWQDZTH-PNESKVBLSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703892406 712092384 /nfs/dbraw/zinc/09/23/84/712092384.db2.gz AQSNINWSWBKJPP-ODWCKFRGSA-N 2 1 224.348 1.238 20 0 BDADMP CC(C)CCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000703998008 712099288 /nfs/dbraw/zinc/09/92/88/712099288.db2.gz KMKZXMULKQKQSO-BETUJISGSA-N 2 1 210.365 1.964 20 0 BDADMP [NH3+][C@H](C[NH2+][C@@H]1CCCC12CC2)CC(F)F ZINC000706581943 712150645 /nfs/dbraw/zinc/15/06/45/712150645.db2.gz LZYJBRZKYQUJBK-DTWKUNHWSA-N 2 1 218.291 1.891 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@]3(CCOC3)C2)CCC[NH2+]C1 ZINC000707211445 712166942 /nfs/dbraw/zinc/16/69/42/712166942.db2.gz BFNTYUCBULXXIG-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000708323448 712187703 /nfs/dbraw/zinc/18/77/03/712187703.db2.gz NBRMOURLRDHOKP-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000708711096 712197701 /nfs/dbraw/zinc/19/77/01/712197701.db2.gz FUZMYDKCPGOVGM-UMNXSXEISA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC(C)(C)C1 ZINC000708817971 712199188 /nfs/dbraw/zinc/19/91/88/712199188.db2.gz GOBPLNCMYZWZTJ-YNEHKIRRSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1C[NH3+] ZINC000708892717 712202565 /nfs/dbraw/zinc/20/25/65/712202565.db2.gz GUBFBZWBJKSNAX-MWLCHTKSSA-N 2 1 239.750 1.762 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1C[NH3+] ZINC000708892717 712202566 /nfs/dbraw/zinc/20/25/66/712202566.db2.gz GUBFBZWBJKSNAX-MWLCHTKSSA-N 2 1 239.750 1.762 20 0 BDADMP CC(C)[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000708901370 712203654 /nfs/dbraw/zinc/20/36/54/712203654.db2.gz WDFJKBFVZWAUOM-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000708901370 712203656 /nfs/dbraw/zinc/20/36/56/712203656.db2.gz WDFJKBFVZWAUOM-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000708991071 712204950 /nfs/dbraw/zinc/20/49/50/712204950.db2.gz LHTYGNLICSUFFO-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@H+](C[C@@H](O)CC1CCCC1)CC(C)(C)[NH3+] ZINC000709320383 712219917 /nfs/dbraw/zinc/21/99/17/712219917.db2.gz OYCSABSEBDYMHO-LBPRGKRZSA-N 2 1 228.380 1.597 20 0 BDADMP C[N@@H+](C[C@@H](O)CC1CCCC1)CC(C)(C)[NH3+] ZINC000709320383 712219919 /nfs/dbraw/zinc/21/99/19/712219919.db2.gz OYCSABSEBDYMHO-LBPRGKRZSA-N 2 1 228.380 1.597 20 0 BDADMP COCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709799826 712227322 /nfs/dbraw/zinc/22/73/22/712227322.db2.gz LEXKVJMLDJJZGX-RKDXNWHRSA-N 2 1 240.269 1.092 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000709868302 712229788 /nfs/dbraw/zinc/22/97/88/712229788.db2.gz CZWCBEBIPNRENL-XQZGEAEESA-N 2 1 220.360 1.844 20 0 BDADMP COC1(OC)CC[C@H]1NCCC[N@@H+](C)C(C)C ZINC000710988670 712272178 /nfs/dbraw/zinc/27/21/78/712272178.db2.gz MLYCZHZIUSCKKF-GFCCVEGCSA-N 2 1 244.379 1.458 20 0 BDADMP COC1(OC)CC[C@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000710988670 712272180 /nfs/dbraw/zinc/27/21/80/712272180.db2.gz MLYCZHZIUSCKKF-GFCCVEGCSA-N 2 1 244.379 1.458 20 0 BDADMP COC1(OC)CC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000710988670 712272182 /nfs/dbraw/zinc/27/21/82/712272182.db2.gz MLYCZHZIUSCKKF-GFCCVEGCSA-N 2 1 244.379 1.458 20 0 BDADMP FC[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000711417786 712299481 /nfs/dbraw/zinc/29/94/81/712299481.db2.gz UCOKXKJHDHMZPS-QWRGUYRKSA-N 2 1 200.301 1.277 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000711471733 712303363 /nfs/dbraw/zinc/30/33/63/712303363.db2.gz UWDUGUXLWWKJGH-VXGBXAGGSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711471731 712303407 /nfs/dbraw/zinc/30/34/07/712303407.db2.gz UWDUGUXLWWKJGH-RYUDHWBXSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000711591284 712311276 /nfs/dbraw/zinc/31/12/76/712311276.db2.gz WARXMVKJDXSELS-QNWHQSFQSA-N 2 1 240.416 1.669 20 0 BDADMP C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923435141 712322167 /nfs/dbraw/zinc/32/21/67/712322167.db2.gz DRELJIDAVBFNOJ-CYDGBPFRSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479441 712334203 /nfs/dbraw/zinc/33/42/03/712334203.db2.gz OXGISVTZDVYDKM-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923480366 712335226 /nfs/dbraw/zinc/33/52/26/712335226.db2.gz XUXLUVCSXBZRMU-UKRRQHHQSA-N 2 1 248.370 1.699 20 0 BDADMP CC1([NH2+]C[C@H]([NH3+])CC(F)F)CCCC1 ZINC000379507005 712386630 /nfs/dbraw/zinc/38/66/30/712386630.db2.gz RJHOGHFSBMUKBJ-MRVPVSSYSA-N 2 1 206.280 1.891 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[NH+]1CCCCCC1 ZINC000379522665 712387106 /nfs/dbraw/zinc/38/71/06/712387106.db2.gz DNQHKUBFRSIDRQ-VIFPVBQESA-N 2 1 206.280 1.845 20 0 BDADMP CC(C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379704366 712392655 /nfs/dbraw/zinc/39/26/55/712392655.db2.gz RYBKXISKIMWPON-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712581740 712433478 /nfs/dbraw/zinc/43/34/78/712433478.db2.gz NSJVOPDBIAWRDN-MGPQQGTHSA-N 2 1 237.391 1.297 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000712581740 712433480 /nfs/dbraw/zinc/43/34/80/712433480.db2.gz NSJVOPDBIAWRDN-MGPQQGTHSA-N 2 1 237.391 1.297 20 0 BDADMP CC[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712581740 712433485 /nfs/dbraw/zinc/43/34/85/712433485.db2.gz NSJVOPDBIAWRDN-MGPQQGTHSA-N 2 1 237.391 1.297 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000712661897 712439534 /nfs/dbraw/zinc/43/95/34/712439534.db2.gz BVLJDCONQYUXMG-NWDGAFQWSA-N 2 1 228.380 1.576 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713398396 712459230 /nfs/dbraw/zinc/45/92/30/712459230.db2.gz JXBYOWNORPZUGJ-VIFPVBQESA-N 2 1 240.269 1.584 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000713398396 712459231 /nfs/dbraw/zinc/45/92/31/712459231.db2.gz JXBYOWNORPZUGJ-VIFPVBQESA-N 2 1 240.269 1.584 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713585670 712465966 /nfs/dbraw/zinc/46/59/66/712465966.db2.gz KSMLQNWNSIQRDJ-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@H](C[NH3+])C2)OC1 ZINC000713586206 712466022 /nfs/dbraw/zinc/46/60/22/712466022.db2.gz MEPMXBGKDQRULX-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CCC(C)(C)CO1 ZINC000713589668 712466171 /nfs/dbraw/zinc/46/61/71/712466171.db2.gz AZUGECGEXIQHBZ-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714376441 712484995 /nfs/dbraw/zinc/48/49/95/712484995.db2.gz ZQGWNKULACRXAQ-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715411963 712517689 /nfs/dbraw/zinc/51/76/89/712517689.db2.gz BICGWPMYHIIQQE-KGLIPLIRSA-N 2 1 238.375 1.628 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717955160 712734802 /nfs/dbraw/zinc/73/48/02/712734802.db2.gz YQQSQUYPRTXUGH-ZOBORPQBSA-N 2 1 237.391 1.282 20 0 BDADMP COC[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718000877 712735677 /nfs/dbraw/zinc/73/56/77/712735677.db2.gz VAPKPSRFLNVXPC-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@H]([NH2+]CC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713010 712744740 /nfs/dbraw/zinc/74/47/40/712744740.db2.gz ZYQHHKFSVWNGQZ-LBPRGKRZSA-N 2 1 220.316 1.621 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCC(C)(F)F ZINC000718721608 712778626 /nfs/dbraw/zinc/77/86/26/712778626.db2.gz INWIPGIHUKUMCT-UHFFFAOYSA-N 2 1 208.296 1.963 20 0 BDADMP Cc1[nH+]ccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c1Cl ZINC000719569212 712809822 /nfs/dbraw/zinc/80/98/22/712809822.db2.gz HQHNCXFHXVLFCG-VHSXEESVSA-N 2 1 239.750 1.970 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000719667150 712818414 /nfs/dbraw/zinc/81/84/14/712818414.db2.gz KWWCWQHQMALNJF-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000720523680 712849261 /nfs/dbraw/zinc/84/92/61/712849261.db2.gz NRKJCDQRNBRCAO-SNVBAGLBSA-N 2 1 248.334 1.061 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720523673 712849331 /nfs/dbraw/zinc/84/93/31/712849331.db2.gz NRKJCDQRNBRCAO-JTQLQIEISA-N 2 1 248.334 1.061 20 0 BDADMP C[NH2+]CC[N@H+](CC[C@@H]1CCCCO1)C(C)C ZINC000720773888 712864568 /nfs/dbraw/zinc/86/45/68/712864568.db2.gz IZBULBGULVZYNR-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP C[NH2+]CC[N@@H+](CC[C@@H]1CCCCO1)C(C)C ZINC000720773888 712864570 /nfs/dbraw/zinc/86/45/70/712864570.db2.gz IZBULBGULVZYNR-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720808995 712867135 /nfs/dbraw/zinc/86/71/35/712867135.db2.gz YQTONXHARKNMKX-CIUDSAMLSA-N 2 1 240.269 1.090 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720808995 712867136 /nfs/dbraw/zinc/86/71/36/712867136.db2.gz YQTONXHARKNMKX-CIUDSAMLSA-N 2 1 240.269 1.090 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720868948 712871869 /nfs/dbraw/zinc/87/18/69/712871869.db2.gz HTPKYNMZRZWLME-XUXIUFHCSA-N 2 1 238.375 1.485 20 0 BDADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000720866844 712872251 /nfs/dbraw/zinc/87/22/51/712872251.db2.gz DVDTVBRUSAZUDS-RGDJUOJXSA-N 2 1 236.359 1.095 20 0 BDADMP CC[NH+](CC)C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000384611857 722004513 /nfs/dbraw/zinc/00/45/13/722004513.db2.gz YQPBZBYIZTZMLI-UHFFFAOYSA-N 2 1 249.362 1.200 20 0 BDADMP C[C@H]1C[C@@H]1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209422867 957440882 /nfs/dbraw/zinc/44/08/82/957440882.db2.gz YZQJJEVCIAJYBL-WDEREUQCSA-N 2 1 205.305 1.397 20 0 BDADMP C[C@H]1C[C@@H]1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209422867 957440890 /nfs/dbraw/zinc/44/08/90/957440890.db2.gz YZQJJEVCIAJYBL-WDEREUQCSA-N 2 1 205.305 1.397 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000085869244 958528535 /nfs/dbraw/zinc/52/85/35/958528535.db2.gz RKCVLRSEWOMHHI-IKWCTNDRSA-N 2 1 226.364 1.756 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)C[NH2+]1 ZINC000399064675 958498573 /nfs/dbraw/zinc/49/85/73/958498573.db2.gz BBPHQTBGUNTZJG-KXNHARMFSA-N 2 1 208.349 1.715 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000724151856 958740372 /nfs/dbraw/zinc/74/03/72/958740372.db2.gz JXISMOGLYNRYKA-NOOOWODRSA-N 2 1 212.337 1.223 20 0 BDADMP CCCCC[N@@H+](C)C[C@@H]1CNC(C)(C)O1 ZINC001204621886 959911410 /nfs/dbraw/zinc/91/14/10/959911410.db2.gz QJZUYPYAPAMKFW-NSHDSACASA-N 2 1 214.353 1.833 20 0 BDADMP CCCCCN(C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204621886 959911427 /nfs/dbraw/zinc/91/14/27/959911427.db2.gz QJZUYPYAPAMKFW-NSHDSACASA-N 2 1 214.353 1.833 20 0 BDADMP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925688498 960606569 /nfs/dbraw/zinc/60/65/69/960606569.db2.gz CWCDIHHQRUGDHP-LLVKDONJSA-N 2 1 240.391 1.658 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2ncco2)CC1 ZINC001141008394 960807057 /nfs/dbraw/zinc/80/70/57/960807057.db2.gz AXKLQOZNLFQMLL-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CC[C@@H]1O ZINC001168313691 964416161 /nfs/dbraw/zinc/41/61/61/964416161.db2.gz GDQXETHIGICRHB-ABXWRUBCSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315509 964426822 /nfs/dbraw/zinc/42/68/22/964426822.db2.gz XDRIPPCMPMCWPR-KBHBFKLGSA-N 2 1 240.391 1.562 20 0 BDADMP C[N@H+]1CCCC[C@H]1CO[C@@H]1CCC[NH+](C)CC1 ZINC001224703173 964892475 /nfs/dbraw/zinc/89/24/75/964892475.db2.gz QUKZZFPQOUQZTK-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCCC[C@H]1CO[C@@H]1CCC[N@H+](C)CC1 ZINC001224703173 964892481 /nfs/dbraw/zinc/89/24/81/964892481.db2.gz QUKZZFPQOUQZTK-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCCC[C@H]1CO[C@@H]1CCC[N@@H+](C)CC1 ZINC001224703173 964892496 /nfs/dbraw/zinc/89/24/96/964892496.db2.gz QUKZZFPQOUQZTK-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CNc1cc[nH+]c(N(CCC[NH3+])C(C)C)n1 ZINC001164122929 965745273 /nfs/dbraw/zinc/74/52/73/965745273.db2.gz SIPDZEIABLJAQN-UHFFFAOYSA-N 2 1 223.324 1.082 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1N ZINC001236210348 966309037 /nfs/dbraw/zinc/30/90/37/966309037.db2.gz CDJLSRFWNFBDHS-STQMWFEESA-N 2 1 225.380 1.188 20 0 BDADMP CN1CC[C@H](C[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000715520277 966943329 /nfs/dbraw/zinc/94/33/29/966943329.db2.gz WQAGBCWLSIEAKC-IYXRBSQSSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C(C)(C)O)C[NH2+]1 ZINC000707557871 967235687 /nfs/dbraw/zinc/23/56/87/967235687.db2.gz LKWNXFDHKHEMQP-UTUOFQBUSA-N 2 1 226.364 1.362 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cscn2)CC1 ZINC001205559996 967693582 /nfs/dbraw/zinc/69/35/82/967693582.db2.gz XZDLDDJHDKHXSA-LLVKDONJSA-N 2 1 243.351 1.796 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cscn2)CC1 ZINC001205559996 967693584 /nfs/dbraw/zinc/69/35/84/967693584.db2.gz XZDLDDJHDKHXSA-LLVKDONJSA-N 2 1 243.351 1.796 20 0 BDADMP C[C@H]1CC[N@H+](Cc2csnn2)CC[C@@H]1C[NH3+] ZINC001205627119 967735324 /nfs/dbraw/zinc/73/53/24/967735324.db2.gz MWISUDPDQWKZMG-VHSXEESVSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2csnn2)CC[C@@H]1C[NH3+] ZINC001205627119 967735338 /nfs/dbraw/zinc/73/53/38/967735338.db2.gz MWISUDPDQWKZMG-VHSXEESVSA-N 2 1 240.376 1.345 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC001205974109 967925624 /nfs/dbraw/zinc/92/56/24/967925624.db2.gz LWSOVRJPBOHJKH-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCCC2)C[C@H]1O ZINC001206457158 968319235 /nfs/dbraw/zinc/31/92/35/968319235.db2.gz QIWGBMPDQRCERX-UONOGXRCSA-N 2 1 240.391 1.598 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000085869250 968506071 /nfs/dbraw/zinc/50/60/71/968506071.db2.gz RKCVLRSEWOMHHI-XVSSEFHLSA-N 2 1 226.364 1.756 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252087004 968507993 /nfs/dbraw/zinc/50/79/93/968507993.db2.gz VOVBGFTVQBGEOU-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001252087004 968507998 /nfs/dbraw/zinc/50/79/98/968507998.db2.gz VOVBGFTVQBGEOU-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001252087004 968508004 /nfs/dbraw/zinc/50/80/04/968508004.db2.gz VOVBGFTVQBGEOU-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)C(=O)OC ZINC001276517948 968698366 /nfs/dbraw/zinc/69/83/66/968698366.db2.gz DFRPNPKHENMKHT-YEJSDXFRSA-N 2 1 240.347 1.010 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207391880 968747979 /nfs/dbraw/zinc/74/79/79/968747979.db2.gz PYMNOSWZEZCRSP-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)CCOC(C)(C)C ZINC000689932976 968898722 /nfs/dbraw/zinc/89/87/22/968898722.db2.gz FNAJJKPLLQVTLW-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CCOC(C)(C)C ZINC000689932976 968898728 /nfs/dbraw/zinc/89/87/28/968898728.db2.gz FNAJJKPLLQVTLW-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP CC[N@@H+](CCCn1cccn1)CCC[NH+](C)C ZINC001208083465 968991600 /nfs/dbraw/zinc/99/16/00/968991600.db2.gz IBTDGKGGGIMHGX-UHFFFAOYSA-N 2 1 238.379 1.547 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001208106957 969003278 /nfs/dbraw/zinc/00/32/78/969003278.db2.gz HXFFWFCXMJPKLY-NWDGAFQWSA-N 2 1 244.354 1.123 20 0 BDADMP CC[N@@H+](CC1CC[NH+](CC)CC1)C1COC1 ZINC001208597092 969151029 /nfs/dbraw/zinc/15/10/29/969151029.db2.gz CHODANWYHFDFBR-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@@H](C)C1 ZINC001253393499 969154286 /nfs/dbraw/zinc/15/42/86/969154286.db2.gz VEODHJWWMRSXAL-RWMBFGLXSA-N 2 1 242.407 1.856 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607596 969161725 /nfs/dbraw/zinc/16/17/25/969161725.db2.gz LPXPEJFECMWVDU-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607596 969161728 /nfs/dbraw/zinc/16/17/28/969161728.db2.gz LPXPEJFECMWVDU-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607596 969161732 /nfs/dbraw/zinc/16/17/32/969161732.db2.gz LPXPEJFECMWVDU-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208609107 969164425 /nfs/dbraw/zinc/16/44/25/969164425.db2.gz YCUMBRMOQPIPIL-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208609107 969164430 /nfs/dbraw/zinc/16/44/30/969164430.db2.gz YCUMBRMOQPIPIL-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208609107 969164433 /nfs/dbraw/zinc/16/44/33/969164433.db2.gz YCUMBRMOQPIPIL-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208609107 969164435 /nfs/dbraw/zinc/16/44/35/969164435.db2.gz YCUMBRMOQPIPIL-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCC[C@@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001253550923 969224859 /nfs/dbraw/zinc/22/48/59/969224859.db2.gz LKIFAFMYSMXRCT-LLVKDONJSA-N 2 1 225.336 1.483 20 0 BDADMP CCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001253562498 969234495 /nfs/dbraw/zinc/23/44/95/969234495.db2.gz DMPHZZITQXSBRS-HZSPNIEDSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]cn2)CCC[C@@H]1C[NH3+] ZINC001205996058 969296931 /nfs/dbraw/zinc/29/69/31/969296931.db2.gz UIIZMODHSHFHSR-WDEREUQCSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@H]1C[N@H+](Cc2cnc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205996058 969296938 /nfs/dbraw/zinc/29/69/38/969296938.db2.gz UIIZMODHSHFHSR-WDEREUQCSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205996058 969296945 /nfs/dbraw/zinc/29/69/45/969296945.db2.gz UIIZMODHSHFHSR-WDEREUQCSA-N 2 1 222.336 1.217 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]2C1 ZINC001253732190 969351620 /nfs/dbraw/zinc/35/16/20/969351620.db2.gz FZODLLNEFVVUHR-FRRDWIJNSA-N 2 1 240.391 1.277 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@@H]2C1 ZINC001253732190 969351623 /nfs/dbraw/zinc/35/16/23/969351623.db2.gz FZODLLNEFVVUHR-FRRDWIJNSA-N 2 1 240.391 1.277 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C(C)(C)C)C[C@@H]2C1 ZINC001253732190 969351628 /nfs/dbraw/zinc/35/16/28/969351628.db2.gz FZODLLNEFVVUHR-FRRDWIJNSA-N 2 1 240.391 1.277 20 0 BDADMP CCCC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C(N)=O ZINC001254511476 969681377 /nfs/dbraw/zinc/68/13/77/969681377.db2.gz AMLHOTKIMLJTGW-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP COC[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517834 969702281 /nfs/dbraw/zinc/70/22/81/969702281.db2.gz ZAJFAUBPJUXLDG-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@@H]1CCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254517834 969702287 /nfs/dbraw/zinc/70/22/87/969702287.db2.gz ZAJFAUBPJUXLDG-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517834 969702300 /nfs/dbraw/zinc/70/23/00/969702300.db2.gz ZAJFAUBPJUXLDG-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC3CC(C3)C2)CC1 ZINC001254530766 969726838 /nfs/dbraw/zinc/72/68/38/969726838.db2.gz HDKABADKUJVJOM-BPCQOVAHSA-N 2 1 208.349 1.813 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C(N)=O)C(C)C ZINC001255941965 970576118 /nfs/dbraw/zinc/57/61/18/970576118.db2.gz AHPPZQIVIDGSBT-NEPJUHHUSA-N 2 1 243.395 1.206 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C(N)=O)C(C)C ZINC001255941967 970577912 /nfs/dbraw/zinc/57/79/12/970577912.db2.gz AHPPZQIVIDGSBT-RYUDHWBXSA-N 2 1 243.395 1.206 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001255957045 970593994 /nfs/dbraw/zinc/59/39/94/970593994.db2.gz OLPPPDPFBLYFAC-JHJVBQTASA-N 2 1 246.370 1.512 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001255957045 970594008 /nfs/dbraw/zinc/59/40/08/970594008.db2.gz OLPPPDPFBLYFAC-JHJVBQTASA-N 2 1 246.370 1.512 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001255957080 970594502 /nfs/dbraw/zinc/59/45/02/970594502.db2.gz ORXOGGABIHNRAR-RWMBFGLXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CC1COC1 ZINC001255965146 970599727 /nfs/dbraw/zinc/59/97/27/970599727.db2.gz YIRXATBGMHEWCE-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@H]1O ZINC001256203213 970700509 /nfs/dbraw/zinc/70/05/09/970700509.db2.gz TVEAKOPDXGHCPP-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@H]1O ZINC001256203213 970700515 /nfs/dbraw/zinc/70/05/15/970700515.db2.gz TVEAKOPDXGHCPP-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[NH+](CC)C1 ZINC001173351011 975296625 /nfs/dbraw/zinc/29/66/25/975296625.db2.gz RVEORPKERGVFMA-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](CC)CCN[C@@H]1CC[N@H+](CC)C1 ZINC001173351011 975296633 /nfs/dbraw/zinc/29/66/33/975296633.db2.gz RVEORPKERGVFMA-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](CC)CCN[C@@H]1CC[N@@H+](CC)C1 ZINC001173351011 975296642 /nfs/dbraw/zinc/29/66/42/975296642.db2.gz RVEORPKERGVFMA-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2cccc(C[NH3+])c2)C1 ZINC001173350579 975297614 /nfs/dbraw/zinc/29/76/14/975297614.db2.gz QKQHLRFSGHOKIR-ZDUSSCGKSA-N 2 1 219.332 1.651 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC001173362971 975339874 /nfs/dbraw/zinc/33/98/74/975339874.db2.gz KLSBEZLUVPXINK-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC001173622925 975485805 /nfs/dbraw/zinc/48/58/05/975485805.db2.gz OKCVICXDSLXMJF-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)C1 ZINC001173622925 975485825 /nfs/dbraw/zinc/48/58/25/975485825.db2.gz OKCVICXDSLXMJF-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC001334737919 976609048 /nfs/dbraw/zinc/60/90/48/976609048.db2.gz LUYIEIKAAUBWOI-JTQLQIEISA-N 3 1 213.369 1.031 20 0 BDADMP CC(C)(C)CC[C@@H](N)C[NH2+]CCCC[NH3+] ZINC001336117983 977517566 /nfs/dbraw/zinc/51/75/66/977517566.db2.gz TXOTVCFVRZICBH-LLVKDONJSA-N 2 1 215.385 1.469 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCC2C[NH2+]C2)CC1 ZINC001206294832 978298397 /nfs/dbraw/zinc/29/83/97/978298397.db2.gz KHTJDKWDZNBADN-CYBMUJFWSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000069863056 978765591 /nfs/dbraw/zinc/76/55/91/978765591.db2.gz RGZUYSPEHSGQBW-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000069890422 978785659 /nfs/dbraw/zinc/78/56/59/978785659.db2.gz NOVIOXLJPNQALI-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000069894041 978787592 /nfs/dbraw/zinc/78/75/92/978787592.db2.gz BTCQMCWYWVDJKQ-QJPTWQEYSA-N 2 1 212.337 1.367 20 0 BDADMP OCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041441 978957156 /nfs/dbraw/zinc/95/71/56/978957156.db2.gz QIKUSFZRZWPUCS-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422802 979041963 /nfs/dbraw/zinc/04/19/63/979041963.db2.gz DRDVCCMZTYEAFB-KBPBESRZSA-N 3 1 239.407 1.437 20 0 BDADMP COC[C@@]12CCC[C@@H]1C[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235570949 979096317 /nfs/dbraw/zinc/09/63/17/979096317.db2.gz VJIHPYLMLACCQJ-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC001235980498 979241987 /nfs/dbraw/zinc/24/19/87/979241987.db2.gz PRVNLFAJTBQILH-WOPDTQHZSA-N 2 1 208.305 1.102 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC001235980498 979241994 /nfs/dbraw/zinc/24/19/94/979241994.db2.gz PRVNLFAJTBQILH-WOPDTQHZSA-N 2 1 208.305 1.102 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCC1CCOCC1)C2 ZINC001235978171 979251880 /nfs/dbraw/zinc/25/18/80/979251880.db2.gz JAUWTTRUQSGYHU-CHWSQXEVSA-N 2 1 224.348 1.226 20 0 BDADMP C[C@H](CO)C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277995027 979687202 /nfs/dbraw/zinc/68/72/02/979687202.db2.gz SPLDTACALUWMEQ-LBPRGKRZSA-N 2 1 226.364 1.033 20 0 BDADMP CC1(C[N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]CC1 ZINC001205255816 979737743 /nfs/dbraw/zinc/73/77/43/979737743.db2.gz LGTIDBYKCAYQIN-CQSZACIVSA-N 3 1 239.407 1.579 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)CCCc1cccnc1 ZINC001236861256 979766764 /nfs/dbraw/zinc/76/67/64/979766764.db2.gz XZCVFTSFCCBIPX-ZDUSSCGKSA-N 2 1 221.348 1.683 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1cccnc1 ZINC001236861256 979766779 /nfs/dbraw/zinc/76/67/79/979766779.db2.gz XZCVFTSFCCBIPX-ZDUSSCGKSA-N 2 1 221.348 1.683 20 0 BDADMP OC[C@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001580882252 981689014 /nfs/dbraw/zinc/68/90/14/981689014.db2.gz PSCMJTHVVYCIDQ-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001252120002 983703663 /nfs/dbraw/zinc/70/36/63/983703663.db2.gz LGJTUGJBNWEJIG-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001172422757 974697264 /nfs/dbraw/zinc/69/72/64/974697264.db2.gz IHUHBBPEIGLIPG-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001172422757 974697267 /nfs/dbraw/zinc/69/72/67/974697267.db2.gz IHUHBBPEIGLIPG-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)OCC[C@H](C)n1c[nH+]cc1CC[NH3+] ZINC001172432002 974716225 /nfs/dbraw/zinc/71/62/25/974716225.db2.gz UGIKMWJETUSZHJ-NSHDSACASA-N 2 1 225.336 1.760 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172433629 974719422 /nfs/dbraw/zinc/71/94/22/974719422.db2.gz KDXSVALMNKOVIW-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)COCC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172455401 974818508 /nfs/dbraw/zinc/81/85/08/974818508.db2.gz RPHZLXRADCRWDW-NSHDSACASA-N 2 1 216.369 1.765 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542280 972568863 /nfs/dbraw/zinc/56/88/63/972568863.db2.gz JUBOINHMJSBREZ-KBPBESRZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544277 972614429 /nfs/dbraw/zinc/61/44/29/972614429.db2.gz XACIWYNMOOOJQV-MELADBBJSA-N 2 1 242.407 1.964 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001327710482 972709399 /nfs/dbraw/zinc/70/93/99/972709399.db2.gz GIGZFWGEWTXHGL-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001327710482 972709404 /nfs/dbraw/zinc/70/94/04/972709404.db2.gz GIGZFWGEWTXHGL-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001327710482 972709413 /nfs/dbraw/zinc/70/94/13/972709413.db2.gz GIGZFWGEWTXHGL-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246559927 972786935 /nfs/dbraw/zinc/78/69/35/972786935.db2.gz OGXYXCCIYOEZOH-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP CCCC[C@@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560732 972791128 /nfs/dbraw/zinc/79/11/28/972791128.db2.gz SPZQNHZMTOCAJJ-JHJVBQTASA-N 2 1 228.380 1.739 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCSC2)C1 ZINC001246588005 972982989 /nfs/dbraw/zinc/98/29/89/972982989.db2.gz XLPXRXKDLLQNIL-NEPJUHHUSA-N 2 1 228.405 1.943 20 0 BDADMP C[C@@H]1CC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@@H](C)C1 ZINC001246588375 972991403 /nfs/dbraw/zinc/99/14/03/972991403.db2.gz YZYVOICBZIUTPA-ZPFDUUQYSA-N 2 1 226.364 1.063 20 0 BDADMP CCCC[C@H](CC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246641560 973062933 /nfs/dbraw/zinc/06/29/33/973062933.db2.gz JBAFKBNWPNZEED-UONOGXRCSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]C1(C[NH3+])CC1 ZINC001256408014 970812619 /nfs/dbraw/zinc/81/26/19/970812619.db2.gz UQSMAUKPNDCEKD-JTQLQIEISA-N 2 1 205.305 1.094 20 0 BDADMP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCCOC1 ZINC000402779805 970852424 /nfs/dbraw/zinc/85/24/24/970852424.db2.gz NHDQLJQNNKMMJW-ZJUUUORDSA-N 2 1 236.306 1.470 20 0 BDADMP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCCOC1 ZINC000402779805 970852433 /nfs/dbraw/zinc/85/24/33/970852433.db2.gz NHDQLJQNNKMMJW-ZJUUUORDSA-N 2 1 236.306 1.470 20 0 BDADMP Cc1ncn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1CC[NH3+] ZINC001256614648 970879191 /nfs/dbraw/zinc/87/91/91/970879191.db2.gz FGANHKKROBGBKZ-FUNVUKJBSA-N 2 1 248.374 1.490 20 0 BDADMP COCC1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256621416 970887675 /nfs/dbraw/zinc/88/76/75/970887675.db2.gz RMFQBQYNPZRNCH-FUNVUKJBSA-N 2 1 224.348 1.190 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628317 970892676 /nfs/dbraw/zinc/89/26/76/970892676.db2.gz AJBVOQUIMZROFI-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628317 970892684 /nfs/dbraw/zinc/89/26/84/970892684.db2.gz AJBVOQUIMZROFI-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628317 970892690 /nfs/dbraw/zinc/89/26/90/970892690.db2.gz AJBVOQUIMZROFI-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628317 970892691 /nfs/dbraw/zinc/89/26/91/970892691.db2.gz AJBVOQUIMZROFI-YIPFDTCYSA-N 2 1 238.375 1.457 20 0 BDADMP CC(C)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403264638 970899377 /nfs/dbraw/zinc/89/93/77/970899377.db2.gz ZETMURPZTYLMGQ-SECBINFHSA-N 2 1 206.280 1.558 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256745567 970980755 /nfs/dbraw/zinc/98/07/55/970980755.db2.gz NNWQBEGPVYOAHP-AEGPPILISA-N 2 1 245.370 1.506 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001256745567 970980763 /nfs/dbraw/zinc/98/07/63/970980763.db2.gz NNWQBEGPVYOAHP-AEGPPILISA-N 2 1 245.370 1.506 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001256745567 970980772 /nfs/dbraw/zinc/98/07/72/970980772.db2.gz NNWQBEGPVYOAHP-AEGPPILISA-N 2 1 245.370 1.506 20 0 BDADMP C[NH2+]Cc1cccc(Nc2c[nH+]ncc2N)c1F ZINC001216222211 970993178 /nfs/dbraw/zinc/99/31/78/970993178.db2.gz XMOOCNRWGXUZKD-UHFFFAOYSA-N 2 1 247.277 1.661 20 0 BDADMP [NH3+][C@H]1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256898485 971013010 /nfs/dbraw/zinc/01/30/10/971013010.db2.gz MCZQVZNGPUCOCR-GXTWGEPZSA-N 2 1 237.391 1.426 20 0 BDADMP CC(C)(C[NH3+])N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898565 971011381 /nfs/dbraw/zinc/01/13/81/971011381.db2.gz NGCZZZUCRJALAX-LBPRGKRZSA-N 2 1 239.407 1.720 20 0 BDADMP [NH3+][C@@H]1C[C@H]1N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900973 971016414 /nfs/dbraw/zinc/01/64/14/971016414.db2.gz DGSLOYKVYJRTOM-RAIGVLPGSA-N 2 1 223.364 1.083 20 0 BDADMP CC[N@H+]1CC[C@@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224701891 973866180 /nfs/dbraw/zinc/86/61/80/973866180.db2.gz JBKBGANDWHEWBW-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP COC(=O)CC1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001256981319 971058088 /nfs/dbraw/zinc/05/80/88/971058088.db2.gz NRQMSFDTGDSGAW-UHFFFAOYSA-N 2 1 240.347 1.189 20 0 BDADMP CC[NH+]1CC[C@@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224701891 973866188 /nfs/dbraw/zinc/86/61/88/973866188.db2.gz JBKBGANDWHEWBW-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CC[C@@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224701891 973866198 /nfs/dbraw/zinc/86/61/98/973866198.db2.gz JBKBGANDWHEWBW-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@H+]1CCC[C@@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224704615 973873714 /nfs/dbraw/zinc/87/37/14/973873714.db2.gz BFEMNGPQMXGTKO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC[C@@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224704615 973873721 /nfs/dbraw/zinc/87/37/21/973873721.db2.gz BFEMNGPQMXGTKO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC[C@@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224704615 973873722 /nfs/dbraw/zinc/87/37/22/973873722.db2.gz BFEMNGPQMXGTKO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]([C@H]1COC(C)(C)C1)C(C)(C)C[NH3+] ZINC000307139383 971123180 /nfs/dbraw/zinc/12/31/80/971123180.db2.gz BAJRNABZUIIICK-SECBINFHSA-N 2 1 200.326 1.223 20 0 BDADMP C[N@@H+]([C@H]1COC(C)(C)C1)C(C)(C)C[NH3+] ZINC000307139383 971123185 /nfs/dbraw/zinc/12/31/85/971123185.db2.gz BAJRNABZUIIICK-SECBINFHSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)N1CCC([N@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC001257217837 971133335 /nfs/dbraw/zinc/13/33/35/971133335.db2.gz PDEJDPZZVKOPIZ-TZMCWYRMSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC001257217837 971133342 /nfs/dbraw/zinc/13/33/42/971133342.db2.gz PDEJDPZZVKOPIZ-TZMCWYRMSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CC[C@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224817288 973996670 /nfs/dbraw/zinc/99/66/70/973996670.db2.gz LSBICAJJQTZJBE-STQMWFEESA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H](Nc1[nH+]ccc2cc[nH]c21)[C@H]1C[NH2+]CCO1 ZINC001170571441 971216458 /nfs/dbraw/zinc/21/64/58/971216458.db2.gz MOAUOYGCSYWBGZ-GXSJLCMTSA-N 2 1 246.314 1.352 20 0 BDADMP c1cc2c[nH+]c(N3CC[N@@H+]4CC[C@@H]4C3)cc2[nH]1 ZINC001158422467 971218245 /nfs/dbraw/zinc/21/82/45/971218245.db2.gz AXVHPRSKTILIST-LLVKDONJSA-N 2 1 228.299 1.457 20 0 BDADMP CN(C)c1cc[nH+]c(N2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001158423997 971225485 /nfs/dbraw/zinc/22/54/85/971225485.db2.gz QYACCBFTYYDWHU-GFCCVEGCSA-N 2 1 232.331 1.042 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)o1 ZINC000405274466 971227588 /nfs/dbraw/zinc/22/75/88/971227588.db2.gz QQEXKGTYYQYRKM-NWDGAFQWSA-N 2 1 220.316 1.948 20 0 BDADMP C[C@H](Nc1ccc2[nH]c[nH+]c2c1)[C@H]1C[NH2+]CCO1 ZINC001170576749 971235925 /nfs/dbraw/zinc/23/59/25/971235925.db2.gz WVJLKPKXWUTBBD-TVQRCGJNSA-N 2 1 246.314 1.352 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405424668 971253376 /nfs/dbraw/zinc/25/33/76/971253376.db2.gz QOIUYZLAFRGPRN-RYUDHWBXSA-N 2 1 225.380 1.186 20 0 BDADMP CCCCCC[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001257360199 971274778 /nfs/dbraw/zinc/27/47/78/971274778.db2.gz LTVIGQATIVVLMW-GFCCVEGCSA-N 2 1 216.369 1.598 20 0 BDADMP CCCCCC[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001257360199 971274780 /nfs/dbraw/zinc/27/47/80/971274780.db2.gz LTVIGQATIVVLMW-GFCCVEGCSA-N 2 1 216.369 1.598 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)C1 ZINC000405694495 971294174 /nfs/dbraw/zinc/29/41/74/971294174.db2.gz XPCINSWCSVVHGF-YVECIDJPSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000405701123 971298641 /nfs/dbraw/zinc/29/86/41/971298641.db2.gz YXSWYZAUQLIEOJ-SUNKGSAMSA-N 2 1 238.375 1.626 20 0 BDADMP Cc1cccc(-c2nnc([C@@H]([NH3+])CCC[NH3+])o2)c1 ZINC001217694614 971330419 /nfs/dbraw/zinc/33/04/19/971330419.db2.gz CJAHOQIDGNQOKJ-NSHDSACASA-N 2 1 246.314 1.784 20 0 BDADMP [NH3+]CCSC[C@H]([NH3+])c1nnc(C2CCC2)o1 ZINC001217742937 971382244 /nfs/dbraw/zinc/38/22/44/971382244.db2.gz QNRNWFQAAPCKGJ-QMMMGPOBSA-N 2 1 242.348 1.029 20 0 BDADMP C[C@H](C[NH+]1CCOCC1)OCCCC[NH+](C)C ZINC001224990523 974120510 /nfs/dbraw/zinc/12/05/10/974120510.db2.gz AFBHIXHPRBSECN-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP CC[N@H+]1CC[C@@H](OCCCC[NH+](C)C)C1 ZINC001224992693 974121455 /nfs/dbraw/zinc/12/14/55/974121455.db2.gz SBNQBCUUFOEEDS-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217865239 971458828 /nfs/dbraw/zinc/45/88/28/971458828.db2.gz IZLZXTVQCCCKAB-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCSC3)C2)C1 ZINC001257681005 971484296 /nfs/dbraw/zinc/48/42/96/971484296.db2.gz MZGXSWZKNZZMMA-OLZOCXBDSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCSC3)C2)C1 ZINC001257681005 971484298 /nfs/dbraw/zinc/48/42/98/971484298.db2.gz MZGXSWZKNZZMMA-OLZOCXBDSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCSC3)C2)C1 ZINC001257681005 971484303 /nfs/dbraw/zinc/48/43/03/971484303.db2.gz MZGXSWZKNZZMMA-OLZOCXBDSA-N 2 1 240.416 1.910 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C2CCC3(COC3)CC2)C1 ZINC001257897520 971531865 /nfs/dbraw/zinc/53/18/65/971531865.db2.gz CABBIHRGYXSJKH-NSHDSACASA-N 2 1 224.348 1.369 20 0 BDADMP CC[N@@H+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172109317 974375310 /nfs/dbraw/zinc/37/53/10/974375310.db2.gz CHUNESZZCRSINR-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109317 974375320 /nfs/dbraw/zinc/37/53/20/974375320.db2.gz CHUNESZZCRSINR-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@@H+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109317 974375329 /nfs/dbraw/zinc/37/53/29/974375329.db2.gz CHUNESZZCRSINR-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109317 974375337 /nfs/dbraw/zinc/37/53/37/974375337.db2.gz CHUNESZZCRSINR-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109317 974375346 /nfs/dbraw/zinc/37/53/46/974375346.db2.gz CHUNESZZCRSINR-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCOCC1)C2 ZINC001170777289 971803633 /nfs/dbraw/zinc/80/36/33/971803633.db2.gz WKIMXWYTIQZFJM-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccncc2)CC[C@H]1F ZINC001206163722 974511984 /nfs/dbraw/zinc/51/19/84/974511984.db2.gz FCOMRDQRESZRAI-VXGBXAGGSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccncc2)CC[C@H]1F ZINC001206163722 974511988 /nfs/dbraw/zinc/51/19/88/974511988.db2.gz FCOMRDQRESZRAI-VXGBXAGGSA-N 2 1 223.295 1.343 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCCOCC1 ZINC001170792824 971833005 /nfs/dbraw/zinc/83/30/05/971833005.db2.gz TXSNANOTDBPMGD-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCOCC3)C2)C1 ZINC001170831586 971951214 /nfs/dbraw/zinc/95/12/14/971951214.db2.gz QLFMUMHWUTXLKM-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCOCC3)C2)C1 ZINC001170831586 971951218 /nfs/dbraw/zinc/95/12/18/971951218.db2.gz QLFMUMHWUTXLKM-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP CCn1cncc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000310147661 971952345 /nfs/dbraw/zinc/95/23/45/971952345.db2.gz LYEQLSYKOGQGJO-LBPRGKRZSA-N 2 1 236.363 1.464 20 0 BDADMP C[C@@H]([NH3+])CCNc1cc2c(c[nH+]1)C(C)(C)C(=O)N2 ZINC001170889352 972036110 /nfs/dbraw/zinc/03/61/10/972036110.db2.gz OCFIDMKLMHSCDC-MRVPVSSYSA-N 2 1 248.330 1.461 20 0 BDADMP C[N@H+](Cc1ccc[nH]1)CC1CC[NH+](C)CC1 ZINC000190644980 972037982 /nfs/dbraw/zinc/03/79/82/972037982.db2.gz PUPHQMYPAOHKCT-UHFFFAOYSA-N 2 1 221.348 1.788 20 0 BDADMP Cc1c2nc[nH]c2ccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899694 972059255 /nfs/dbraw/zinc/05/92/55/972059255.db2.gz LFMILMXVXKEKSU-NSHDSACASA-N 2 1 233.319 1.307 20 0 BDADMP Cc1cc[nH+]c2cc(N[C@H]([NH3+])CCC[NH3+])ccc12 ZINC001170900495 972066491 /nfs/dbraw/zinc/06/64/91/972066491.db2.gz LVUVMRLNTNFXQW-AWEZNQCLSA-N 3 1 244.342 1.979 20 0 BDADMP COc1ccc(C)[nH+]c1NCC[C@@H](C)[NH3+] ZINC001159772906 972105993 /nfs/dbraw/zinc/10/59/93/972105993.db2.gz OMOOMRWANKGZFG-MRVPVSSYSA-N 2 1 209.293 1.548 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246025541 972121176 /nfs/dbraw/zinc/12/11/76/972121176.db2.gz CIHZYIGUDZKXLS-GRYCIOLGSA-N 2 1 214.353 1.207 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246025541 972121184 /nfs/dbraw/zinc/12/11/84/972121184.db2.gz CIHZYIGUDZKXLS-GRYCIOLGSA-N 2 1 214.353 1.207 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246074422 972128785 /nfs/dbraw/zinc/12/87/85/972128785.db2.gz PFBCWMBQZXFKRQ-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090617 972142734 /nfs/dbraw/zinc/14/27/34/972142734.db2.gz KVMKHWLIMDDWLU-TZMCWYRMSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CCC(F)CC2)C[NH2+]1 ZINC001246082319 972140019 /nfs/dbraw/zinc/14/00/19/972140019.db2.gz QWRJDCKIRPCZBS-WNYYMSAVSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001246101320 972157052 /nfs/dbraw/zinc/15/70/52/972157052.db2.gz KBCQXXZLTCQGBY-VXUPGSCNSA-N 2 1 236.359 1.332 20 0 BDADMP C[C@@H]1CC[C@@H](CN[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246102656 972160626 /nfs/dbraw/zinc/16/06/26/972160626.db2.gz WRYXERSMBMIMBC-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@@H](CN[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246102656 972160631 /nfs/dbraw/zinc/16/06/31/972160631.db2.gz WRYXERSMBMIMBC-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246105169 972168600 /nfs/dbraw/zinc/16/86/00/972168600.db2.gz MLKNLNPQOWKMRU-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C1CC12C[NH2+]C[C@H]2N[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131427 972188828 /nfs/dbraw/zinc/18/88/28/972188828.db2.gz JWDQGGLXZYBEQF-QWHCGFSZSA-N 2 1 249.402 1.250 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1C[NH2+]CC13CC3)C2 ZINC001246134120 972191565 /nfs/dbraw/zinc/19/15/65/972191565.db2.gz PIDGXXVXDKIMEK-CRWXNKLISA-N 2 1 249.402 1.343 20 0 BDADMP CCCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383169919 956899795 /nfs/dbraw/zinc/89/97/95/956899795.db2.gz NNEXKPXWSGSFRO-QSLWVIQJSA-N 2 1 238.375 1.389 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CN1 ZINC001246231824 972237685 /nfs/dbraw/zinc/23/76/85/972237685.db2.gz HJZCSSDMJKUFFH-YWPUVAFDSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CN1 ZINC001246231824 972237695 /nfs/dbraw/zinc/23/76/95/972237695.db2.gz HJZCSSDMJKUFFH-YWPUVAFDSA-N 2 1 225.380 1.329 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@](C)(O)C2)C1 ZINC001208606017 957089509 /nfs/dbraw/zinc/08/95/09/957089509.db2.gz DBPBNBUIAOEGTK-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@](C)(O)C2)C1 ZINC001208606017 957089473 /nfs/dbraw/zinc/08/94/73/957089473.db2.gz DBPBNBUIAOEGTK-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@](C)(O)C2)C1 ZINC001208606017 957089489 /nfs/dbraw/zinc/08/94/89/957089489.db2.gz DBPBNBUIAOEGTK-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC=C(n2c(N)[nH+]c3ccccc32)CC1 ZINC001208717411 957137658 /nfs/dbraw/zinc/13/76/58/957137658.db2.gz DASQHANSTJAESE-UHFFFAOYSA-N 2 1 228.299 1.795 20 0 BDADMP C[N@@H+]1CC=C(n2c(N)[nH+]c3ccccc32)CC1 ZINC001208717411 957137665 /nfs/dbraw/zinc/13/76/65/957137665.db2.gz DASQHANSTJAESE-UHFFFAOYSA-N 2 1 228.299 1.795 20 0 BDADMP Cc1[nH+]cc(NC2=CC[N@@H+](C)CC2)n1C ZINC001208803493 957179142 /nfs/dbraw/zinc/17/91/42/957179142.db2.gz YGCQNCQVPHJKAV-UHFFFAOYSA-N 2 1 206.293 1.360 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246303577 972265948 /nfs/dbraw/zinc/26/59/48/972265948.db2.gz ITICMZZVUBFDIE-SDDRHHMPSA-N 3 1 227.396 1.480 20 0 BDADMP Nc1cc[nH+]cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001209729722 957525117 /nfs/dbraw/zinc/52/51/17/957525117.db2.gz AKLAIQHIMUOFDG-ZDUSSCGKSA-N 2 1 246.358 1.164 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000397747295 957800608 /nfs/dbraw/zinc/80/06/08/957800608.db2.gz JLGDKCRNJRISEQ-FVCCEPFGSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CCC3)C2)CC[NH2+]1 ZINC001246359342 972303438 /nfs/dbraw/zinc/30/34/38/972303438.db2.gz AWXVCTOLXNIVDW-UPJWGTAASA-N 2 1 237.391 1.343 20 0 BDADMP CCCCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453287 972325399 /nfs/dbraw/zinc/32/53/99/972325399.db2.gz NBXOJIVZKMUHTA-CYBMUJFWSA-N 3 1 229.412 1.873 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2cccc(N)c2)C[NH2+]1 ZINC001246463549 972335934 /nfs/dbraw/zinc/33/59/34/972335934.db2.gz FPEATHSUFPGFPN-RISCZKNCSA-N 2 1 233.359 1.541 20 0 BDADMP C[N@H+]1CCC[C@](C)(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246464956 972340294 /nfs/dbraw/zinc/34/02/94/972340294.db2.gz TWRHNVYREUGXGQ-PIGZVRMJSA-N 2 1 237.391 1.343 20 0 BDADMP CN1CCC[C@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246464956 972340299 /nfs/dbraw/zinc/34/02/99/972340299.db2.gz TWRHNVYREUGXGQ-PIGZVRMJSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@@H]1[NH3+] ZINC000693392874 958353427 /nfs/dbraw/zinc/35/34/27/958353427.db2.gz LZPHQNXVEWFLHJ-ZIQFBCGOSA-N 2 1 244.329 1.947 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCC1(F)F ZINC000403139186 958404664 /nfs/dbraw/zinc/40/46/64/958404664.db2.gz CNDINYILDCBGOM-ZJUUUORDSA-N 2 1 234.290 1.081 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCC1(F)F ZINC000403139186 958404692 /nfs/dbraw/zinc/40/46/92/958404692.db2.gz CNDINYILDCBGOM-ZJUUUORDSA-N 2 1 234.290 1.081 20 0 BDADMP COCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403139841 958407254 /nfs/dbraw/zinc/40/72/54/958407254.db2.gz CTSOXYOCFVLCJQ-SNVBAGLBSA-N 2 1 236.306 1.329 20 0 BDADMP COCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403139838 958407451 /nfs/dbraw/zinc/40/74/51/958407451.db2.gz CTSOXYOCFVLCJQ-JTQLQIEISA-N 2 1 236.306 1.329 20 0 BDADMP CC[C@H](C)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403216714 958429840 /nfs/dbraw/zinc/42/98/40/958429840.db2.gz GUHCHZMXIDPGAF-VHSXEESVSA-N 2 1 220.307 1.948 20 0 BDADMP CSCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399252679 958584438 /nfs/dbraw/zinc/58/44/38/958584438.db2.gz YCTQMCSBDBJQID-ZJUUUORDSA-N 2 1 202.367 1.470 20 0 BDADMP c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222085940 972360000 /nfs/dbraw/zinc/36/00/00/972360000.db2.gz PREDKMUGAGKXQC-UHFFFAOYSA-N 2 1 245.370 1.214 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC12CCCC2 ZINC000707630917 958639021 /nfs/dbraw/zinc/63/90/21/958639021.db2.gz FGAQMFPZCYOZNP-GFCCVEGCSA-N 2 1 240.391 1.754 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693581584 958869989 /nfs/dbraw/zinc/86/99/89/958869989.db2.gz XWLHVZNHNXEUIX-NNYUYHANSA-N 2 1 212.337 1.223 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000382390659 958874182 /nfs/dbraw/zinc/87/41/82/958874182.db2.gz SSMZADBADBXQMV-NWDGAFQWSA-N 2 1 208.349 1.718 20 0 BDADMP CSCC[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207287347 958886527 /nfs/dbraw/zinc/88/65/27/958886527.db2.gz BPWYEWVZHJYUAA-UHFFFAOYSA-N 2 1 218.410 1.869 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693587148 958892107 /nfs/dbraw/zinc/89/21/07/958892107.db2.gz YXNLOTQWIWNFQW-GARJFASQSA-N 2 1 214.378 1.551 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000690741545 958953488 /nfs/dbraw/zinc/95/34/88/958953488.db2.gz WCEZNRZIZAGQRX-NSHDSACASA-N 2 1 222.307 1.996 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693618669 959006402 /nfs/dbraw/zinc/00/64/02/959006402.db2.gz XRKRHSURDKROJP-OUAUKWLOSA-N 2 1 214.378 1.551 20 0 BDADMP OCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155292 972396833 /nfs/dbraw/zinc/39/68/33/972396833.db2.gz ZHPAAIMLQFNGAW-ZDUSSCGKSA-N 2 1 226.364 1.225 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232958 972416339 /nfs/dbraw/zinc/41/63/39/972416339.db2.gz ZYDNVNLAASDYAG-WCQYABFASA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232958 972416347 /nfs/dbraw/zinc/41/63/47/972416347.db2.gz ZYDNVNLAASDYAG-WCQYABFASA-N 2 1 240.347 1.014 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246529484 972417159 /nfs/dbraw/zinc/41/71/59/972417159.db2.gz KMQBXEHAFRRZTC-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP [O-]c1cccnc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222243747 972420954 /nfs/dbraw/zinc/42/09/54/972420954.db2.gz NWJKVVQASNOXDG-AWEZNQCLSA-N 2 1 247.342 1.505 20 0 BDADMP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309175 972438108 /nfs/dbraw/zinc/43/81/08/972438108.db2.gz MSWJNEPKUMLLJV-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309175 972438110 /nfs/dbraw/zinc/43/81/10/972438110.db2.gz MSWJNEPKUMLLJV-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533141 972459348 /nfs/dbraw/zinc/45/93/48/972459348.db2.gz CARKSWYVQJLNEN-OLZOCXBDSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533141 972459352 /nfs/dbraw/zinc/45/93/52/972459352.db2.gz CARKSWYVQJLNEN-OLZOCXBDSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533141 972459361 /nfs/dbraw/zinc/45/93/61/972459361.db2.gz CARKSWYVQJLNEN-OLZOCXBDSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708863801 959986341 /nfs/dbraw/zinc/98/63/41/959986341.db2.gz QBENWURXWAKFGV-IRCOFANPSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)O1 ZINC000694767073 959991618 /nfs/dbraw/zinc/99/16/18/959991618.db2.gz XMVJWXYBFFCVCS-HNCHTBHHSA-N 2 1 226.364 1.673 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000692517031 960143401 /nfs/dbraw/zinc/14/34/01/960143401.db2.gz SQUCTFQMZRNXSE-UHFFFAOYSA-N 2 1 248.374 1.607 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000709028639 960217763 /nfs/dbraw/zinc/21/77/63/960217763.db2.gz BRLKLPGFIVWLOL-LBPRGKRZSA-N 2 1 236.363 1.587 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1-n1ccc(CC[NH3+])n1 ZINC001167731020 960267572 /nfs/dbraw/zinc/26/75/72/960267572.db2.gz XWPFSVIRGPKJQS-UHFFFAOYSA-N 2 1 245.330 1.143 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001207485191 960461519 /nfs/dbraw/zinc/46/15/19/960461519.db2.gz UDBOWYYVLDSEPB-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP O[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799407 960577096 /nfs/dbraw/zinc/57/70/96/960577096.db2.gz CKBUJZFISNGQAE-NSHDSACASA-N 2 1 231.299 1.520 20 0 BDADMP O[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799407 960577105 /nfs/dbraw/zinc/57/71/05/960577105.db2.gz CKBUJZFISNGQAE-NSHDSACASA-N 2 1 231.299 1.520 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802188 960593649 /nfs/dbraw/zinc/59/36/49/960593649.db2.gz QCRYJOMDSJKUHM-MWLCHTKSSA-N 2 1 231.299 1.518 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802188 960593656 /nfs/dbraw/zinc/59/36/56/960593656.db2.gz QCRYJOMDSJKUHM-MWLCHTKSSA-N 2 1 231.299 1.518 20 0 BDADMP COC(C[N@H+](C)Cc1c[nH]c2cc[nH+]cc12)OC ZINC001140804732 960595730 /nfs/dbraw/zinc/59/57/30/960595730.db2.gz BSJFYMFAFMGZPV-UHFFFAOYSA-N 2 1 249.314 1.614 20 0 BDADMP COC(C[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12)OC ZINC001140804732 960595746 /nfs/dbraw/zinc/59/57/46/960595746.db2.gz BSJFYMFAFMGZPV-UHFFFAOYSA-N 2 1 249.314 1.614 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001140801854 960598012 /nfs/dbraw/zinc/59/80/12/960598012.db2.gz IJHKQGVICGURDO-ZIAGYGMSSA-N 2 1 243.310 1.926 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001140801854 960598024 /nfs/dbraw/zinc/59/80/24/960598024.db2.gz IJHKQGVICGURDO-ZIAGYGMSSA-N 2 1 243.310 1.926 20 0 BDADMP c1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000709452228 960616897 /nfs/dbraw/zinc/61/68/97/960616897.db2.gz AOMYQKUWDTVNKT-ULKQDVFKSA-N 2 1 223.345 1.516 20 0 BDADMP C[C@]1(O)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709480464 960619516 /nfs/dbraw/zinc/61/95/16/960619516.db2.gz SMWBDHZMTQHLPH-HNGCFSAESA-N 2 1 224.348 1.116 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccoc1 ZINC000692776946 960649358 /nfs/dbraw/zinc/64/93/58/960649358.db2.gz GSTVASMEFKKAQG-ZYHUDNBSSA-N 2 1 208.305 1.552 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCSC[C@H]1CCO ZINC000689822464 960914899 /nfs/dbraw/zinc/91/48/99/960914899.db2.gz SKRUVZCUSDCTNV-GFCCVEGCSA-N 2 1 246.420 1.305 20 0 BDADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCC[NH2+]CC1 ZINC001204654959 960995369 /nfs/dbraw/zinc/99/53/69/960995369.db2.gz JXFWZMGZOWTGAH-LBPRGKRZSA-N 2 1 242.363 1.261 20 0 BDADMP Cc1ccc(NC(=[NH2+])SCC[NH3+])cn1 ZINC001167913634 961091883 /nfs/dbraw/zinc/09/18/83/961091883.db2.gz OEMCIABQADFGJI-UHFFFAOYSA-N 2 1 210.306 1.429 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC(=O)OC ZINC001167842433 961239840 /nfs/dbraw/zinc/23/98/40/961239840.db2.gz XFQWUQGBOKMBIV-LBPRGKRZSA-N 2 1 244.379 1.602 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1(Cl)CC1 ZINC000925829718 961384588 /nfs/dbraw/zinc/38/45/88/961384588.db2.gz GAEAROILASBQIP-JTQLQIEISA-N 2 1 246.782 1.193 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](C(F)F)CC2)C1 ZINC000687576257 961823359 /nfs/dbraw/zinc/82/33/59/961823359.db2.gz KQIHYXSWZMMYGJ-AEJSXWLSSA-N 2 1 234.290 1.080 20 0 BDADMP N=C(Nc1ccc2c(c1)C[NH2+]C2)SCC[NH3+] ZINC001167915762 961854471 /nfs/dbraw/zinc/85/44/71/961854471.db2.gz XUEVWVOWVMYPFJ-UHFFFAOYSA-N 2 1 236.344 1.328 20 0 BDADMP Nc1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641026 962276529 /nfs/dbraw/zinc/27/65/29/962276529.db2.gz RGAFLSTZWZLCBC-LBPRGKRZSA-N 2 1 233.359 1.830 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000710302520 962362641 /nfs/dbraw/zinc/36/26/41/962362641.db2.gz GXZMRZJRDVRPDL-SMDDNHRTSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000710302520 962362657 /nfs/dbraw/zinc/36/26/57/962362657.db2.gz GXZMRZJRDVRPDL-SMDDNHRTSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]c(N)n2)C1 ZINC000132279687 962406021 /nfs/dbraw/zinc/40/60/21/962406021.db2.gz HBWCXCYJXREXNR-SNVBAGLBSA-N 2 1 235.335 1.201 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c(N)n2)C1 ZINC000132279687 962406025 /nfs/dbraw/zinc/40/60/25/962406025.db2.gz HBWCXCYJXREXNR-SNVBAGLBSA-N 2 1 235.335 1.201 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](CF)C2)C[NH2+]1 ZINC000711464792 962717187 /nfs/dbraw/zinc/71/71/87/962717187.db2.gz IYIFSCDOEXLBJN-GRYCIOLGSA-N 2 1 214.328 1.808 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](CF)C2)C[NH2+]1 ZINC000711464792 962717195 /nfs/dbraw/zinc/71/71/95/962717195.db2.gz IYIFSCDOEXLBJN-GRYCIOLGSA-N 2 1 214.328 1.808 20 0 BDADMP C1[C@@H]2C[C@H]([NH+]3CCC([NH+]4CCC4)CC3)C[C@H]12 ZINC001167960314 962852366 /nfs/dbraw/zinc/85/23/66/962852366.db2.gz XUTLVEAZMLXXFV-IMRBUKKESA-N 2 1 220.360 1.955 20 0 BDADMP Cc1cc[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001155579007 963112543 /nfs/dbraw/zinc/11/25/43/963112543.db2.gz DBHZQSAHBVGNRF-WOPDTQHZSA-N 2 1 217.316 1.800 20 0 BDADMP N[C@H]1C[N@@H+](CCCCCC[NH3+])CCC1(F)F ZINC001206657029 963126656 /nfs/dbraw/zinc/12/66/56/963126656.db2.gz OGAQMZITPMFSMH-JTQLQIEISA-N 2 1 235.322 1.174 20 0 BDADMP C[NH2+][C@H]1CCN1c1[nH+]ccc2[nH]ccc21 ZINC001156639921 963424522 /nfs/dbraw/zinc/42/45/22/963424522.db2.gz YVBZMIUXHUZSQR-SNVBAGLBSA-N 2 1 202.261 1.319 20 0 BDADMP c1cc2c[nH+]c(-n3ccc4c3CC[NH2+]C4)cc2[nH]1 ZINC001157443774 963604379 /nfs/dbraw/zinc/60/43/79/963604379.db2.gz WZAAFKUFTPJKOA-UHFFFAOYSA-N 2 1 238.294 1.999 20 0 BDADMP CCN(c1cc(N)c(C)c[nH+]1)C1C[NH+](C)C1 ZINC001157456033 963615846 /nfs/dbraw/zinc/61/58/46/963615846.db2.gz JKFYWSULYGDVLW-UHFFFAOYSA-N 2 1 220.320 1.113 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)CCO1 ZINC001168145839 963862059 /nfs/dbraw/zinc/86/20/59/963862059.db2.gz UXFLPFCAGNFRLI-OCCSQVGLSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+](C)Cc1ccnc(N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001158431096 963872121 /nfs/dbraw/zinc/87/21/21/963872121.db2.gz NJBLJNDJWBTFCN-ZDUSSCGKSA-N 2 1 246.358 1.038 20 0 BDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H](C)[C@H]1O ZINC000697238810 963874068 /nfs/dbraw/zinc/87/40/68/963874068.db2.gz LMNIPXHGOIZYIS-IMRBUKKESA-N 2 1 240.391 1.277 20 0 BDADMP CC1(Nc2cc3c(c[nH+]2)CC(=O)N3)CC[NH2+]CC1 ZINC001168183393 963934586 /nfs/dbraw/zinc/93/45/86/963934586.db2.gz FRGSYJMFNFTPIE-UHFFFAOYSA-N 2 1 246.314 1.130 20 0 BDADMP C[C@@H](Nc1cc(C2CC2)cc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159500967 964115870 /nfs/dbraw/zinc/11/58/70/964115870.db2.gz UIFWTKUWGOFYRB-ZWNOBZJWSA-N 2 1 247.342 1.748 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001168313431 964421301 /nfs/dbraw/zinc/42/13/01/964421301.db2.gz CRDWWJGPCUWUAX-LLZFXZEUSA-N 2 1 238.375 1.722 20 0 BDADMP COCC[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168314863 964426155 /nfs/dbraw/zinc/42/61/55/964426155.db2.gz GRANNRMMUWRISE-UHFFFAOYSA-N 2 1 214.353 1.437 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)C2COC2)CC1 ZINC001168324237 964447076 /nfs/dbraw/zinc/44/70/76/964447076.db2.gz LKKUBQJMGTTWMY-UHFFFAOYSA-N 2 1 212.337 1.190 20 0 BDADMP CC[N@@H+](CC(=O)OC)C1CCC([NH+](C)C)CC1 ZINC001168330507 964464555 /nfs/dbraw/zinc/46/45/55/964464555.db2.gz RADRVFINXDIBCC-UHFFFAOYSA-N 2 1 242.363 1.354 20 0 BDADMP Cc1ncccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697847395 964565055 /nfs/dbraw/zinc/56/50/55/964565055.db2.gz GQCKKLANQXBZEU-NSHDSACASA-N 2 1 221.348 1.820 20 0 BDADMP C[C@H](CC[NH2+]Cc1ccc(C(N)=O)cc1)[NH+](C)C ZINC000697869368 964595183 /nfs/dbraw/zinc/59/51/83/964595183.db2.gz FYZZJOYWQNTMFP-LLVKDONJSA-N 2 1 249.358 1.215 20 0 BDADMP C[C@H](CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000697908963 964675743 /nfs/dbraw/zinc/67/57/43/964675743.db2.gz OPBZYSCCGWPZIU-AGIUHOORSA-N 2 1 227.396 1.399 20 0 BDADMP C[N@H+]1CCC[C@](C)(Nc2cccc(N)[nH+]2)C1 ZINC001162341380 964939105 /nfs/dbraw/zinc/93/91/05/964939105.db2.gz LVWQFBUSLANBPF-LBPRGKRZSA-N 2 1 220.320 1.560 20 0 BDADMP C[N@@H+]1CCC[C@](C)(Nc2cccc(N)[nH+]2)C1 ZINC001162341380 964939101 /nfs/dbraw/zinc/93/91/01/964939101.db2.gz LVWQFBUSLANBPF-LBPRGKRZSA-N 2 1 220.320 1.560 20 0 BDADMP Cn1c([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cccc1=O ZINC001162402541 964963510 /nfs/dbraw/zinc/96/35/10/964963510.db2.gz UAELYCCULJSBRI-NXEZZACHSA-N 2 1 221.304 1.067 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]c2ccc3[nH]c(=O)cc-3[nH]2)C1 ZINC001162402717 964963792 /nfs/dbraw/zinc/96/37/92/964963792.db2.gz WBNPJUDCTITGBG-BDAKNGLRSA-N 2 1 246.314 1.258 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695736686 965073526 /nfs/dbraw/zinc/07/35/26/965073526.db2.gz HACZQHRNXNTYPW-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP CCc1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]c1 ZINC001163105066 965258710 /nfs/dbraw/zinc/25/87/10/965258710.db2.gz IYPAXEQCZNUXKN-JHJVBQTASA-N 2 1 247.342 1.290 20 0 BDADMP COc1cc2[nH+]ccn2cc1N[C@@H](C)C[NH+](C)C ZINC001163782859 965587621 /nfs/dbraw/zinc/58/76/21/965587621.db2.gz SGJYXFQDTKHMCD-JTQLQIEISA-N 2 1 248.330 1.705 20 0 BDADMP Cc1[nH+]ccn1CCNc1cc(C[NH3+])ccn1 ZINC001163917086 965629552 /nfs/dbraw/zinc/62/95/52/965629552.db2.gz TUYIWFQLPVRNLD-UHFFFAOYSA-N 2 1 231.303 1.157 20 0 BDADMP Cc1[nH+]ccn1CCNc1cccc(C[NH3+])c1 ZINC001163919733 965631991 /nfs/dbraw/zinc/63/19/91/965631991.db2.gz CTQLNEMQMASFRM-UHFFFAOYSA-N 2 1 230.315 1.762 20 0 BDADMP Cc1cc(N(C)CCCC[NH+](C)C)nc(C)[nH+]1 ZINC001164046328 965713221 /nfs/dbraw/zinc/71/32/21/965713221.db2.gz GUFDLVYVLZKYLH-UHFFFAOYSA-N 2 1 236.363 1.871 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC001205094210 965727156 /nfs/dbraw/zinc/72/71/56/965727156.db2.gz KMRKTJARVJRISQ-AWEZNQCLSA-N 2 1 234.343 1.492 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC001205094222 965727196 /nfs/dbraw/zinc/72/71/96/965727196.db2.gz KMRKTJARVJRISQ-CQSZACIVSA-N 2 1 234.343 1.492 20 0 BDADMP CC(C)N(CCC[NH3+])c1cccn2c[nH+]cc12 ZINC001164129047 965748846 /nfs/dbraw/zinc/74/88/46/965748846.db2.gz VKQIAPATAKMPFP-UHFFFAOYSA-N 2 1 232.331 1.898 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699209219 965812819 /nfs/dbraw/zinc/81/28/19/965812819.db2.gz IAKJHGIWASCBDR-WTUNAVPPSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+][C@H]1CCCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001205109724 965836481 /nfs/dbraw/zinc/83/64/81/965836481.db2.gz KBVBTHLRDMECLY-LBPRGKRZSA-N 2 1 244.342 1.648 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000699534053 965948164 /nfs/dbraw/zinc/94/81/64/965948164.db2.gz QKHUOTRXLQXYNU-CMPLNLGQSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000699552770 965963395 /nfs/dbraw/zinc/96/33/95/965963395.db2.gz LLGIZANELJUNEW-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1c[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c(C)c1 ZINC001165146926 965973550 /nfs/dbraw/zinc/97/35/50/965973550.db2.gz GVCUBPOQDLHJJZ-CHWSQXEVSA-N 2 1 231.343 1.696 20 0 BDADMP Nc1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]c1 ZINC001165237175 966004509 /nfs/dbraw/zinc/00/45/09/966004509.db2.gz SZSGBTLDMBOKCY-ZDUSSCGKSA-N 2 1 232.331 1.244 20 0 BDADMP CCCc1cc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)nc(C)[nH+]1 ZINC001165382311 966072314 /nfs/dbraw/zinc/07/23/14/966072314.db2.gz MFOIGYKSAMAYHP-PTEHBNRSSA-N 2 1 232.331 1.131 20 0 BDADMP Cc1[nH]c2ccc(N[C@H]3CC[N@H+](C)C3)cc2[nH+]1 ZINC000061988608 966181042 /nfs/dbraw/zinc/18/10/42/966181042.db2.gz DUEKIEYZIPNXKZ-NSHDSACASA-N 2 1 230.315 1.987 20 0 BDADMP CC(=O)C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000699922163 966202420 /nfs/dbraw/zinc/20/24/20/966202420.db2.gz IBUZWTCHOIJICL-UHFFFAOYSA-N 2 1 249.358 1.883 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235996337 966224248 /nfs/dbraw/zinc/22/42/48/966224248.db2.gz XBWZPLKUPRZZLG-AAEUAGOBSA-N 2 1 233.315 1.019 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235996337 966224267 /nfs/dbraw/zinc/22/42/67/966224267.db2.gz XBWZPLKUPRZZLG-AAEUAGOBSA-N 2 1 233.315 1.019 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCc1cccnc1 ZINC001236242653 966318161 /nfs/dbraw/zinc/31/81/61/966318161.db2.gz FJVVJQHFZXJSCR-CYBMUJFWSA-N 2 1 219.332 1.437 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CCCc1cccnc1 ZINC001236242653 966318171 /nfs/dbraw/zinc/31/81/71/966318171.db2.gz FJVVJQHFZXJSCR-CYBMUJFWSA-N 2 1 219.332 1.437 20 0 BDADMP CCCc1cc(N(C)C[C@@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC001166955771 966480740 /nfs/dbraw/zinc/48/07/40/966480740.db2.gz GRSRSKJLMCRTCK-GFCCVEGCSA-N 2 1 248.374 1.783 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@H]1C ZINC000300005159 966489167 /nfs/dbraw/zinc/48/91/67/966489167.db2.gz KZCFNPJKNPMZGZ-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCC[C@@H](CN2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000094449203 966891375 /nfs/dbraw/zinc/89/13/75/966891375.db2.gz JDYMJYYEKNBWBJ-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC[C@@H](CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000094449203 966891381 /nfs/dbraw/zinc/89/13/81/966891381.db2.gz JDYMJYYEKNBWBJ-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC[C@@H](CN2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000094449203 966891383 /nfs/dbraw/zinc/89/13/83/966891383.db2.gz JDYMJYYEKNBWBJ-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+](C)C1CCC([NH2+]C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000715520277 966943318 /nfs/dbraw/zinc/94/33/18/966943318.db2.gz WQAGBCWLSIEAKC-IYXRBSQSSA-N 3 1 239.407 1.401 20 0 BDADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(N)[nH+]c1 ZINC001168601918 966971111 /nfs/dbraw/zinc/97/11/11/966971111.db2.gz VRBGKNYWEFVBHX-RYUDHWBXSA-N 2 1 234.347 1.949 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC000715557520 967161695 /nfs/dbraw/zinc/16/16/95/967161695.db2.gz JMBXTSXPNYXUMW-ZIHBUVQPSA-N 3 1 239.407 1.589 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001204847766 967195904 /nfs/dbraw/zinc/19/59/04/967195904.db2.gz GGKCXOXTESALEV-SECBINFHSA-N 2 1 224.270 1.795 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000721934328 967256606 /nfs/dbraw/zinc/25/66/06/967256606.db2.gz YIQMFJWXDSDSDA-PDWCTOEPSA-N 2 1 238.375 1.471 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCCC[C@@H]2CO)CC1 ZINC000691349742 967258711 /nfs/dbraw/zinc/25/87/11/967258711.db2.gz KDEXQUINGBDGPO-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000691350299 967260455 /nfs/dbraw/zinc/26/04/55/967260455.db2.gz NNLBHRCRECOFFG-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@H]1O ZINC000691350807 967260782 /nfs/dbraw/zinc/26/07/82/967260782.db2.gz QTKXDFXUDDVWTL-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP CCc1[nH]ncc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205052765 967308514 /nfs/dbraw/zinc/30/85/14/967308514.db2.gz CIDSSCRAKHARAQ-UHFFFAOYSA-N 2 1 222.336 1.143 20 0 BDADMP CCOC(C)(C)C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064341 967319322 /nfs/dbraw/zinc/31/93/22/967319322.db2.gz MTRNCEIZVZKTMY-QWRGUYRKSA-N 2 1 214.353 1.613 20 0 BDADMP CCOC(C)(C)C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064341 967319334 /nfs/dbraw/zinc/31/93/34/967319334.db2.gz MTRNCEIZVZKTMY-QWRGUYRKSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC001205064886 967320665 /nfs/dbraw/zinc/32/06/65/967320665.db2.gz ZTFRUNYMMNCVSO-ONGXEEELSA-N 2 1 221.304 1.099 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc[nH]c(=O)c1 ZINC001205064886 967320669 /nfs/dbraw/zinc/32/06/69/967320669.db2.gz ZTFRUNYMMNCVSO-ONGXEEELSA-N 2 1 221.304 1.099 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cccc2c1NCC2 ZINC001205087665 967329958 /nfs/dbraw/zinc/32/99/58/967329958.db2.gz GJUNSOVJZWTJHN-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2c1NCC2 ZINC001205087665 967329985 /nfs/dbraw/zinc/32/99/85/967329985.db2.gz GJUNSOVJZWTJHN-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2c1NCC2 ZINC001205087665 967329995 /nfs/dbraw/zinc/32/99/95/967329995.db2.gz GJUNSOVJZWTJHN-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP CCc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205117344 967365534 /nfs/dbraw/zinc/36/55/34/967365534.db2.gz OIONRZBNKIFTEP-LBPRGKRZSA-N 2 1 233.359 1.957 20 0 BDADMP CCc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205117344 967365545 /nfs/dbraw/zinc/36/55/45/967365545.db2.gz OIONRZBNKIFTEP-LBPRGKRZSA-N 2 1 233.359 1.957 20 0 BDADMP Cc1ncncc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123446 967369356 /nfs/dbraw/zinc/36/93/56/967369356.db2.gz AZXOJSLQOQQRID-GFCCVEGCSA-N 2 1 220.320 1.098 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123446 967369368 /nfs/dbraw/zinc/36/93/68/967369368.db2.gz AZXOJSLQOQQRID-GFCCVEGCSA-N 2 1 220.320 1.098 20 0 BDADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124106 967370782 /nfs/dbraw/zinc/37/07/82/967370782.db2.gz KFULKOVTKLYWMT-CQSZACIVSA-N 3 1 233.359 1.459 20 0 BDADMP [NH3+]Cc1cccc(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124106 967370793 /nfs/dbraw/zinc/37/07/93/967370793.db2.gz KFULKOVTKLYWMT-CQSZACIVSA-N 2 1 233.359 1.459 20 0 BDADMP Cc1ncc(F)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145762 967386561 /nfs/dbraw/zinc/38/65/61/967386561.db2.gz FWYTUBZQWQMWNP-JOYOIKCWSA-N 2 1 237.322 1.556 20 0 BDADMP Cc1ncc(F)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145762 967386568 /nfs/dbraw/zinc/38/65/68/967386568.db2.gz FWYTUBZQWQMWNP-JOYOIKCWSA-N 2 1 237.322 1.556 20 0 BDADMP CCc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)on1 ZINC001205255835 967444712 /nfs/dbraw/zinc/44/47/12/967444712.db2.gz LQZOLNMWKBRMIS-CYBMUJFWSA-N 2 1 237.347 1.940 20 0 BDADMP CCc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)on1 ZINC001205255835 967444721 /nfs/dbraw/zinc/44/47/21/967444721.db2.gz LQZOLNMWKBRMIS-CYBMUJFWSA-N 2 1 237.347 1.940 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC001205257249 967447715 /nfs/dbraw/zinc/44/77/15/967447715.db2.gz UWAJDWPLMKMIAX-AWEZNQCLSA-N 3 1 239.407 1.579 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205263903 967450888 /nfs/dbraw/zinc/45/08/88/967450888.db2.gz FNNRBICWPGKGRN-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205263903 967450895 /nfs/dbraw/zinc/45/08/95/967450895.db2.gz FNNRBICWPGKGRN-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)ccn1 ZINC001205264356 967455545 /nfs/dbraw/zinc/45/55/45/967455545.db2.gz KUACDTJAHRSLKJ-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccn1 ZINC001205264356 967455551 /nfs/dbraw/zinc/45/55/51/967455551.db2.gz KUACDTJAHRSLKJ-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ncccc2N)CC1 ZINC001205266943 967457037 /nfs/dbraw/zinc/45/70/37/967457037.db2.gz YNEHLUUEZQDTLV-CYBMUJFWSA-N 2 1 234.347 1.367 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288624 967484121 /nfs/dbraw/zinc/48/41/21/967484121.db2.gz MHLUFVWFGOTMAB-ZDUSSCGKSA-N 2 1 236.363 1.675 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC001205296173 967495448 /nfs/dbraw/zinc/49/54/48/967495448.db2.gz IIFZAYAWHVMGAL-OLZOCXBDSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC001205332285 967549992 /nfs/dbraw/zinc/54/99/92/967549992.db2.gz NOIQFZLNVBLCNN-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001205332285 967550001 /nfs/dbraw/zinc/55/00/01/967550001.db2.gz NOIQFZLNVBLCNN-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP Cn1cnc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205545384 967686143 /nfs/dbraw/zinc/68/61/43/967686143.db2.gz FYCQXWQKXYAHKI-LBPRGKRZSA-N 2 1 240.326 1.073 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC001205601623 967717030 /nfs/dbraw/zinc/71/70/30/967717030.db2.gz FKKMZYSTOKXDFO-RDBSUJKOSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001205603588 967718715 /nfs/dbraw/zinc/71/87/15/967718715.db2.gz QPPVIVSCBJDSBY-JSGCOSHPSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCO)CC[C@@H]1C[NH3+] ZINC001205601967 967719106 /nfs/dbraw/zinc/71/91/06/967719106.db2.gz HGOQDRSBZZEYRX-VXGBXAGGSA-N 2 1 214.353 1.066 20 0 BDADMP COCOCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205603670 967721862 /nfs/dbraw/zinc/72/18/62/967721862.db2.gz RWKHIYNGXMHOPD-STQMWFEESA-N 2 1 244.379 1.304 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205617763 967724067 /nfs/dbraw/zinc/72/40/67/967724067.db2.gz NHJNAIQCYOVYRD-DGCLKSJQSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CC[C@H]1C[NH3+] ZINC001205618913 967726520 /nfs/dbraw/zinc/72/65/20/967726520.db2.gz ZCTMFQGKGYHWKX-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP CC(C)(C)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662457 967748622 /nfs/dbraw/zinc/74/86/22/967748622.db2.gz BBSGRQLEVWXYJC-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP Cc1nonc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205655369 967751757 /nfs/dbraw/zinc/75/17/57/967751757.db2.gz ZPFVIUMSOBLGDT-ONGXEEELSA-N 2 1 238.335 1.185 20 0 BDADMP CC(C)Nc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162383611 967816936 /nfs/dbraw/zinc/81/69/36/967816936.db2.gz AEBXHUCMXJWTKJ-GHMZBOCLSA-N 2 1 249.362 1.979 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc[nH]c2)C1 ZINC001205827983 967841187 /nfs/dbraw/zinc/84/11/87/967841187.db2.gz IXGVUSVWBQLMFQ-JQWIXIFHSA-N 2 1 207.321 1.574 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc[nH]c2)C1 ZINC001205827983 967841190 /nfs/dbraw/zinc/84/11/90/967841190.db2.gz IXGVUSVWBQLMFQ-JQWIXIFHSA-N 2 1 207.321 1.574 20 0 BDADMP [NH3+][C@H]1CCCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001205940049 967893732 /nfs/dbraw/zinc/89/37/32/967893732.db2.gz ZHQYNRZKTKZHAP-ZDUSSCGKSA-N 2 1 245.370 1.968 20 0 BDADMP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001205940049 967893733 /nfs/dbraw/zinc/89/37/33/967893733.db2.gz ZHQYNRZKTKZHAP-ZDUSSCGKSA-N 2 1 245.370 1.968 20 0 BDADMP C[C@H]1C[N@@H+](CCCCO)CCC[C@H]1C[NH3+] ZINC001205984679 967933200 /nfs/dbraw/zinc/93/32/00/967933200.db2.gz UCWISLVJOUMVPP-RYUDHWBXSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCO)CCC[C@H]1C[NH3+] ZINC001205984699 967936638 /nfs/dbraw/zinc/93/66/38/967936638.db2.gz UJXRSJPKYLTDIK-OLZOCXBDSA-N 2 1 228.380 1.456 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)co1 ZINC001205992547 967942637 /nfs/dbraw/zinc/94/26/37/967942637.db2.gz FFOMAJGNAAAODP-PWSUYJOCSA-N 2 1 237.347 1.790 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncn2C)CCC[C@H]1C[NH3+] ZINC001205994680 967949541 /nfs/dbraw/zinc/94/95/41/967949541.db2.gz LVGKXVKFPFFAFJ-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2)CCC[C@H]1C[NH3+] ZINC001205996393 967950899 /nfs/dbraw/zinc/95/08/99/967950899.db2.gz WSWLFXZWXUGSEA-OCCSQVGLSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2)CCC[C@@H]1C[NH3+] ZINC001205996394 967951027 /nfs/dbraw/zinc/95/10/27/967951027.db2.gz WSWLFXZWXUGSEA-TZMCWYRMSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnco2)CCC[C@H]1C[NH3+] ZINC001206004780 967961457 /nfs/dbraw/zinc/96/14/57/967961457.db2.gz VIUPGCCHIFUMPB-MNOVXSKESA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc3c2CCN3)C[C@H]1[NH3+] ZINC001206075719 968042692 /nfs/dbraw/zinc/04/26/92/968042692.db2.gz WHIMKFYEOMNVLS-ZWNOBZJWSA-N 2 1 231.343 1.434 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCN3)C[C@H]1[NH3+] ZINC001206075719 968042697 /nfs/dbraw/zinc/04/26/97/968042697.db2.gz WHIMKFYEOMNVLS-ZWNOBZJWSA-N 2 1 231.343 1.434 20 0 BDADMP Cc1ccnc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206164196 968102382 /nfs/dbraw/zinc/10/23/82/968102382.db2.gz JLTYGTDADOMDFF-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccnc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206164196 968102388 /nfs/dbraw/zinc/10/23/88/968102388.db2.gz JLTYGTDADOMDFF-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP C[NH2+]C1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)C1 ZINC001163704580 968102486 /nfs/dbraw/zinc/10/24/86/968102486.db2.gz APWJRLUXFSJDDY-UHFFFAOYSA-N 2 1 246.358 1.084 20 0 BDADMP Cc1ccnc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206164194 968103694 /nfs/dbraw/zinc/10/36/94/968103694.db2.gz JLTYGTDADOMDFF-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccnc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206164194 968103702 /nfs/dbraw/zinc/10/37/02/968103702.db2.gz JLTYGTDADOMDFF-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001206163524 968105075 /nfs/dbraw/zinc/10/50/75/968105075.db2.gz DEMOOEZOKVEPQP-CHWSQXEVSA-N 2 1 238.306 1.653 20 0 BDADMP CC(C)[N@@H+](C)CCCNC1=[NH+]CCCCN1 ZINC000697706414 968105595 /nfs/dbraw/zinc/10/55/95/968105595.db2.gz IYJYCNSTFQOORL-UHFFFAOYSA-N 2 1 226.368 1.046 20 0 BDADMP Cc1cnsc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206196952 968125467 /nfs/dbraw/zinc/12/54/67/968125467.db2.gz FICIIRXZBMMBLP-NXEZZACHSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1cnsc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206196952 968125487 /nfs/dbraw/zinc/12/54/87/968125487.db2.gz FICIIRXZBMMBLP-NXEZZACHSA-N 2 1 243.351 1.713 20 0 BDADMP Cn1cnc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001206230561 968153892 /nfs/dbraw/zinc/15/38/92/968153892.db2.gz QJLPUPKOGKPMTK-UHFFFAOYSA-N 2 1 236.363 1.194 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC001206262857 968182253 /nfs/dbraw/zinc/18/22/53/968182253.db2.gz IYBWEVONJDLUQC-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2c(c1)CCN2 ZINC001206262857 968182255 /nfs/dbraw/zinc/18/22/55/968182255.db2.gz IYBWEVONJDLUQC-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001206337742 968243787 /nfs/dbraw/zinc/24/37/87/968243787.db2.gz WGRQKUHABZLQMR-SECBINFHSA-N 2 1 242.260 1.949 20 0 BDADMP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206457638 968319899 /nfs/dbraw/zinc/31/98/99/968319899.db2.gz SDQXYULQSIYACY-HZSPNIEDSA-N 2 1 240.391 1.620 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3occc3c2)C[C@H]1O ZINC001206468524 968325176 /nfs/dbraw/zinc/32/51/76/968325176.db2.gz JQOVCKBDWDXUEY-QWHCGFSZSA-N 2 1 246.310 1.184 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3occc3c2)C[C@H]1O ZINC001206468524 968325186 /nfs/dbraw/zinc/32/51/86/968325186.db2.gz JQOVCKBDWDXUEY-QWHCGFSZSA-N 2 1 246.310 1.184 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCC2)C[C@@H]1O ZINC001206512431 968346286 /nfs/dbraw/zinc/34/62/86/968346286.db2.gz OWMMUSMVOXFBCU-STQMWFEESA-N 2 1 226.364 1.208 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cncnc2)C1 ZINC001206547654 968373559 /nfs/dbraw/zinc/37/35/59/968373559.db2.gz FCEMNBACXHMNGD-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cncnc2)C1 ZINC001206547654 968373568 /nfs/dbraw/zinc/37/35/68/968373568.db2.gz FCEMNBACXHMNGD-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206548154 968373639 /nfs/dbraw/zinc/37/36/39/968373639.db2.gz HQJBUOPRQMULEN-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnccc2N)C1 ZINC001206550123 968377636 /nfs/dbraw/zinc/37/76/36/968377636.db2.gz VSFCJJWHWFVQMD-AWEZNQCLSA-N 2 1 248.374 1.445 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnccc2N)C1 ZINC001206550123 968377646 /nfs/dbraw/zinc/37/76/46/968377646.db2.gz VSFCJJWHWFVQMD-AWEZNQCLSA-N 2 1 248.374 1.445 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC001206563301 968386524 /nfs/dbraw/zinc/38/65/24/968386524.db2.gz BPKSRVUAQWXXFC-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)cn2)C1 ZINC001206563688 968388045 /nfs/dbraw/zinc/38/80/45/968388045.db2.gz HDTVFZGMVLWGNK-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)cn2)C1 ZINC001206563688 968388054 /nfs/dbraw/zinc/38/80/54/968388054.db2.gz HDTVFZGMVLWGNK-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206606364 968399849 /nfs/dbraw/zinc/39/98/49/968399849.db2.gz LUHZGRSDUTYJQE-ZDUSSCGKSA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccnc(F)c2)C1 ZINC001206622389 968423519 /nfs/dbraw/zinc/42/35/19/968423519.db2.gz BBSXRINOFPFGIM-LBPRGKRZSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC001206622389 968423535 /nfs/dbraw/zinc/42/35/35/968423535.db2.gz BBSXRINOFPFGIM-LBPRGKRZSA-N 2 1 237.322 1.782 20 0 BDADMP C[N@H+]1CCC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206700915 968437243 /nfs/dbraw/zinc/43/72/43/968437243.db2.gz JZBQVTINXISXMF-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP CC1(C)C[N@@H+](CCCC[NH3+])[C@@](C)(CO)C1 ZINC001206745263 968452279 /nfs/dbraw/zinc/45/22/79/968452279.db2.gz RWCBBLOZTAMVFG-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP CCc1cc(NC/C=C/C[NH3+])nc(C)[nH+]1 ZINC000164552213 968521994 /nfs/dbraw/zinc/52/19/94/968521994.db2.gz INWLEUQYTKFGMG-SNAWJCMRSA-N 2 1 206.293 1.274 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207125755 968642877 /nfs/dbraw/zinc/64/28/77/968642877.db2.gz LQGWGHSSNUZISE-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207125755 968642882 /nfs/dbraw/zinc/64/28/82/968642882.db2.gz LQGWGHSSNUZISE-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207125755 968642888 /nfs/dbraw/zinc/64/28/88/968642888.db2.gz LQGWGHSSNUZISE-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001207280659 968712371 /nfs/dbraw/zinc/71/23/71/968712371.db2.gz XULMKMULURZZOE-VXGBXAGGSA-N 2 1 226.364 1.437 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2Cc3cccnc3C2)CC1 ZINC001207392021 968746999 /nfs/dbraw/zinc/74/69/99/968746999.db2.gz SZDQFXFOLMIFHR-UHFFFAOYSA-N 2 1 231.343 1.739 20 0 BDADMP C[NH+]1CCC(C[N@H+]2Cc3cccnc3C2)CC1 ZINC001207392021 968747011 /nfs/dbraw/zinc/74/70/11/968747011.db2.gz SZDQFXFOLMIFHR-UHFFFAOYSA-N 2 1 231.343 1.739 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001207391283 968747268 /nfs/dbraw/zinc/74/72/68/968747268.db2.gz BCOAARCLIKEZNB-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001207398628 968750984 /nfs/dbraw/zinc/75/09/84/968750984.db2.gz DSNGTPNNVNBPPN-AVGNSLFASA-N 2 1 226.339 1.761 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@]23CCOC3)CC1 ZINC001207400293 968751817 /nfs/dbraw/zinc/75/18/17/968751817.db2.gz DFXQXGIGQQUQGJ-ZDUSSCGKSA-N 2 1 224.348 1.193 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001207470377 968789715 /nfs/dbraw/zinc/78/97/15/968789715.db2.gz QSVWENUIHJXAFM-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC001207468865 968790646 /nfs/dbraw/zinc/79/06/46/968790646.db2.gz JFWCIYGSHXDJPT-MELADBBJSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001207479412 968794508 /nfs/dbraw/zinc/79/45/08/968794508.db2.gz IILJHAAICOZAMP-STQMWFEESA-N 2 1 244.354 1.123 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001207691632 968861777 /nfs/dbraw/zinc/86/17/77/968861777.db2.gz OZDMUXISSZJRQQ-OCCSQVGLSA-N 2 1 240.391 1.543 20 0 BDADMP COCC(C)(C)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001207691632 968861778 /nfs/dbraw/zinc/86/17/78/968861778.db2.gz OZDMUXISSZJRQQ-OCCSQVGLSA-N 2 1 240.391 1.543 20 0 BDADMP COCC(C)(C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001207691632 968861782 /nfs/dbraw/zinc/86/17/82/968861782.db2.gz OZDMUXISSZJRQQ-OCCSQVGLSA-N 2 1 240.391 1.543 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208099769 968996299 /nfs/dbraw/zinc/99/62/99/968996299.db2.gz ABFCLLHDHXKPFV-UHFFFAOYSA-N 3 1 241.423 1.602 20 0 BDADMP CN(C)CCC[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208099769 968996302 /nfs/dbraw/zinc/99/63/02/968996302.db2.gz ABFCLLHDHXKPFV-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CN(C)CCC[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208099769 968996304 /nfs/dbraw/zinc/99/63/04/968996304.db2.gz ABFCLLHDHXKPFV-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP COC(C[N@@H+](C)CC1(C)CC[NH+](C)CC1)OC ZINC001208108272 969000152 /nfs/dbraw/zinc/00/01/52/969000152.db2.gz CNSYBHCIMADELE-UHFFFAOYSA-N 2 1 244.379 1.269 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCCOCC2)CC1 ZINC001208102958 969001710 /nfs/dbraw/zinc/00/17/10/969001710.db2.gz IGPMCTGLAAMEDZ-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP C[N@@H+](CC1COC1)CC1(C)CC[NH+](C)CC1 ZINC001208114086 969005524 /nfs/dbraw/zinc/00/55/24/969005524.db2.gz RBTJIGAGAYPGPM-UHFFFAOYSA-N 2 1 226.364 1.297 20 0 BDADMP CC(=O)[C@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208112255 969009976 /nfs/dbraw/zinc/00/99/76/969009976.db2.gz UKJPFUZVWSAJOD-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CC[C@H](CO)C2)CCCC1 ZINC001208191198 969121796 /nfs/dbraw/zinc/12/17/96/969121796.db2.gz LAMFGZJIHPVUOQ-ZDUSSCGKSA-N 2 1 240.391 1.423 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCN(C)C)CC1 ZINC001208595174 969151993 /nfs/dbraw/zinc/15/19/93/969151993.db2.gz RDUUJCKOOJSCCB-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP COC[C@H]1CC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208616142 969167779 /nfs/dbraw/zinc/16/77/79/969167779.db2.gz ZIYVHUSSLWWNIP-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H]1CC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208616142 969167784 /nfs/dbraw/zinc/16/77/84/969167784.db2.gz ZIYVHUSSLWWNIP-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H]1CC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208616142 969167787 /nfs/dbraw/zinc/16/77/87/969167787.db2.gz ZIYVHUSSLWWNIP-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CCO3)CC2)C1 ZINC001208613133 969173301 /nfs/dbraw/zinc/17/33/01/969173301.db2.gz PSOPLHIJTZJRQZ-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCO3)CC2)C1 ZINC001208613133 969173311 /nfs/dbraw/zinc/17/33/11/969173311.db2.gz PSOPLHIJTZJRQZ-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc[nH]c2=O)CCC[C@@H]1C[NH3+] ZINC001205995844 969267677 /nfs/dbraw/zinc/26/76/77/969267677.db2.gz RBCYZLOXNIHVCX-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000723471704 969319895 /nfs/dbraw/zinc/31/98/95/969319895.db2.gz JHXHBCMGSPQUHV-FYLLDIAZSA-N 2 1 212.337 1.221 20 0 BDADMP CCC[N@@H+](CCCOC)CCC[NH+](C)C ZINC001209054463 969339318 /nfs/dbraw/zinc/33/93/18/969339318.db2.gz BRPWGCXRAUAICZ-UHFFFAOYSA-N 2 1 216.369 1.687 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096155 969384290 /nfs/dbraw/zinc/38/42/90/969384290.db2.gz VAEVIKBARYCQOI-RVMXOQNASA-N 2 1 225.380 1.151 20 0 BDADMP CCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)COC1 ZINC001169099469 969391515 /nfs/dbraw/zinc/39/15/15/969391515.db2.gz SPPZDVCQEQPRLV-XYYAHUGASA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001169097891 969392054 /nfs/dbraw/zinc/39/20/54/969392054.db2.gz DWJUISPRVOENSN-WOPNUFJOSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[C@@H](O)C1)C2 ZINC001169079795 969402674 /nfs/dbraw/zinc/40/26/74/969402674.db2.gz LPKAGGYWTNQOSU-PDWCTOEPSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001169090873 969410791 /nfs/dbraw/zinc/41/07/91/969410791.db2.gz MNNKQLLBQOYZIH-MLGHIDQZSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1CO)C2 ZINC001169124025 969418273 /nfs/dbraw/zinc/41/82/73/969418273.db2.gz PKYOXNMDIBBQHQ-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1CO)C2 ZINC001169124025 969418276 /nfs/dbraw/zinc/41/82/76/969418276.db2.gz PKYOXNMDIBBQHQ-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H]1CO)C2 ZINC001169124025 969418283 /nfs/dbraw/zinc/41/82/83/969418283.db2.gz PKYOXNMDIBBQHQ-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@H]1CO)C2 ZINC001169124025 969418289 /nfs/dbraw/zinc/41/82/89/969418289.db2.gz PKYOXNMDIBBQHQ-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](CO)C1)C2 ZINC001169122758 969421786 /nfs/dbraw/zinc/42/17/86/969421786.db2.gz CYCMYMKBEYHOIX-FQUUOJAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](CO)C1)C2 ZINC001169122758 969421789 /nfs/dbraw/zinc/42/17/89/969421789.db2.gz CYCMYMKBEYHOIX-FQUUOJAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](CO)C1)C2 ZINC001169122758 969421792 /nfs/dbraw/zinc/42/17/92/969421792.db2.gz CYCMYMKBEYHOIX-FQUUOJAGSA-N 2 1 238.375 1.316 20 0 BDADMP CN(CCC[NH+](C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122998 969421865 /nfs/dbraw/zinc/42/18/65/969421865.db2.gz GZESOQTZEBBQLC-BTTYYORXSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@](C)(CO)C1)C2 ZINC001169125414 969423703 /nfs/dbraw/zinc/42/37/03/969423703.db2.gz HZCMGCATGSANOX-ZOBORPQBSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@](C)(CO)C1)C2 ZINC001169125414 969423708 /nfs/dbraw/zinc/42/37/08/969423708.db2.gz HZCMGCATGSANOX-ZOBORPQBSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@](C)(CO)C1)C2 ZINC001169125414 969423709 /nfs/dbraw/zinc/42/37/09/969423709.db2.gz HZCMGCATGSANOX-ZOBORPQBSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(O)CC1)C2 ZINC001169125295 969424323 /nfs/dbraw/zinc/42/43/23/969424323.db2.gz YKXLTNPCQWBRSZ-ZSBIGDGJSA-N 2 1 224.348 1.068 20 0 BDADMP COC[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124923 969425537 /nfs/dbraw/zinc/42/55/37/969425537.db2.gz HDVTWVTYNWWWPY-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124923 969425545 /nfs/dbraw/zinc/42/55/45/969425545.db2.gz HDVTWVTYNWWWPY-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124923 969425550 /nfs/dbraw/zinc/42/55/50/969425550.db2.gz HDVTWVTYNWWWPY-FQUUOJAGSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](O)CC1)C2 ZINC001169126332 969430766 /nfs/dbraw/zinc/43/07/66/969430766.db2.gz RWCSKXFQTIFRJO-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](O)CC1)C2 ZINC001169126332 969430771 /nfs/dbraw/zinc/43/07/71/969430771.db2.gz RWCSKXFQTIFRJO-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](O)CC1)C2 ZINC001169126332 969430774 /nfs/dbraw/zinc/43/07/74/969430774.db2.gz RWCSKXFQTIFRJO-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](F)[C@H](O)C1)C2 ZINC001169126826 969430827 /nfs/dbraw/zinc/43/08/27/969430827.db2.gz XXWBAOSZXDVMSB-CKIKVBCHSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](F)[C@H](O)C1)C2 ZINC001169126826 969430829 /nfs/dbraw/zinc/43/08/29/969430829.db2.gz XXWBAOSZXDVMSB-CKIKVBCHSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](F)[C@H](O)C1)C2 ZINC001169126826 969430830 /nfs/dbraw/zinc/43/08/30/969430830.db2.gz XXWBAOSZXDVMSB-CKIKVBCHSA-N 2 1 242.338 1.016 20 0 BDADMP COC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC001169108385 969444010 /nfs/dbraw/zinc/44/40/10/969444010.db2.gz SHPTYTPGNVBSJB-ZSBIGDGJSA-N 2 1 242.363 1.210 20 0 BDADMP COC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC001169108385 969444016 /nfs/dbraw/zinc/44/40/16/969444016.db2.gz SHPTYTPGNVBSJB-ZSBIGDGJSA-N 2 1 242.363 1.210 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109456 969446649 /nfs/dbraw/zinc/44/66/49/969446649.db2.gz IRKVWCZGBHLILB-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CO)CCC1)C2 ZINC001169108063 969448142 /nfs/dbraw/zinc/44/81/42/969448142.db2.gz NTNIONUHYMWIKE-CNDDSTCGSA-N 2 1 224.348 1.116 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(C[NH3+])nc1)C2 ZINC001169114814 969459028 /nfs/dbraw/zinc/45/90/28/969459028.db2.gz YXTDGQRBXYDJCL-BTTYYORXSA-N 2 1 246.358 1.577 20 0 BDADMP CN([C@@H]1CC[N@@H+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142851 969460881 /nfs/dbraw/zinc/46/08/81/969460881.db2.gz WUWYPGFOVNOBBB-RQJABVFESA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142851 969460891 /nfs/dbraw/zinc/46/08/91/969460891.db2.gz WUWYPGFOVNOBBB-RQJABVFESA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142851 969460895 /nfs/dbraw/zinc/46/08/95/969460895.db2.gz WUWYPGFOVNOBBB-RQJABVFESA-N 2 1 237.391 1.248 20 0 BDADMP CCN1CCC([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001169232920 969516483 /nfs/dbraw/zinc/51/64/83/969516483.db2.gz IJPSUCMXBVDRLI-UHFFFAOYSA-N 2 1 247.386 1.719 20 0 BDADMP CC[NH+]1CCC(NCc2ccccc2C[NH3+])CC1 ZINC001169232920 969516489 /nfs/dbraw/zinc/51/64/89/969516489.db2.gz IJPSUCMXBVDRLI-UHFFFAOYSA-N 2 1 247.386 1.719 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC2COC2)CC1 ZINC001169264547 969520569 /nfs/dbraw/zinc/52/05/69/969520569.db2.gz HQTPQHBCLADCHP-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC2COC2)CC1 ZINC001169264547 969520571 /nfs/dbraw/zinc/52/05/71/969520571.db2.gz HQTPQHBCLADCHP-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](O)[C@H](C)C2)CC1 ZINC001169245410 969531533 /nfs/dbraw/zinc/53/15/33/969531533.db2.gz CTVPPEVDJHRNCE-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](O)[C@H](C)C2)CC1 ZINC001169245410 969531535 /nfs/dbraw/zinc/53/15/35/969531535.db2.gz CTVPPEVDJHRNCE-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001169245489 969531562 /nfs/dbraw/zinc/53/15/62/969531562.db2.gz FMPKIYCGTAAQCT-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001169245489 969531571 /nfs/dbraw/zinc/53/15/71/969531571.db2.gz FMPKIYCGTAAQCT-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP CCN1CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001169247054 969535516 /nfs/dbraw/zinc/53/55/16/969535516.db2.gz XNOJUOXJYMUSAU-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC3(CC3)C2)CC1 ZINC001169247054 969535519 /nfs/dbraw/zinc/53/55/19/969535519.db2.gz XNOJUOXJYMUSAU-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC3(CC3)C2)CC1 ZINC001169247054 969535522 /nfs/dbraw/zinc/53/55/22/969535522.db2.gz XNOJUOXJYMUSAU-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP COCC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209726667 969581196 /nfs/dbraw/zinc/58/11/96/969581196.db2.gz IOWMZNIHURTETD-UHFFFAOYSA-N 2 1 235.331 1.353 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001209729567 969585135 /nfs/dbraw/zinc/58/51/35/969585135.db2.gz OFDXQUBKDWWHSU-UHFFFAOYSA-N 2 1 233.315 1.107 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCCC2(COC2)C1 ZINC001209729567 969585136 /nfs/dbraw/zinc/58/51/36/969585136.db2.gz OFDXQUBKDWWHSU-UHFFFAOYSA-N 2 1 233.315 1.107 20 0 BDADMP CO[C@@H]1CC[N@H+](Cc2c[nH+]ccc2N)[C@H](C)C1 ZINC001209733964 969593599 /nfs/dbraw/zinc/59/35/99/969593599.db2.gz XRYFYPWZMYZCDB-ZYHUDNBSSA-N 2 1 235.331 1.493 20 0 BDADMP CO[C@@H]1CC[N@@H+](Cc2c[nH+]ccc2N)[C@H](C)C1 ZINC001209733964 969593605 /nfs/dbraw/zinc/59/36/05/969593605.db2.gz XRYFYPWZMYZCDB-ZYHUDNBSSA-N 2 1 235.331 1.493 20 0 BDADMP CC(C)O[C@@H]1CC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733417 969594732 /nfs/dbraw/zinc/59/47/32/969594732.db2.gz LUEYZWBXWPXADQ-GFCCVEGCSA-N 2 1 235.331 1.493 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733417 969594736 /nfs/dbraw/zinc/59/47/36/969594736.db2.gz LUEYZWBXWPXADQ-GFCCVEGCSA-N 2 1 235.331 1.493 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001209734178 969597526 /nfs/dbraw/zinc/59/75/26/969597526.db2.gz MQPDQEAUGHZSMC-INTQDDNPSA-N 2 1 221.279 1.426 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001209734178 969597534 /nfs/dbraw/zinc/59/75/34/969597534.db2.gz MQPDQEAUGHZSMC-INTQDDNPSA-N 2 1 221.279 1.426 20 0 BDADMP C[NH+](C)CCC(C)(C)N[C@H]1CCC[N@@H+](C)CC1 ZINC001254506717 969650812 /nfs/dbraw/zinc/65/08/12/969650812.db2.gz YIVGSMRSUUBWJI-ZDUSSCGKSA-N 2 1 241.423 1.791 20 0 BDADMP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254506717 969650820 /nfs/dbraw/zinc/65/08/20/969650820.db2.gz YIVGSMRSUUBWJI-ZDUSSCGKSA-N 3 1 241.423 1.791 20 0 BDADMP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254506717 969650824 /nfs/dbraw/zinc/65/08/24/969650824.db2.gz YIVGSMRSUUBWJI-ZDUSSCGKSA-N 3 1 241.423 1.791 20 0 BDADMP CCC[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254504002 969650907 /nfs/dbraw/zinc/65/09/07/969650907.db2.gz QGJHOOUSAAIGOE-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2F)CC1 ZINC001254504463 969672056 /nfs/dbraw/zinc/67/20/56/969672056.db2.gz BKKYRXVMZKGOHF-QJPTWQEYSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2F)CC1 ZINC001254504463 969672063 /nfs/dbraw/zinc/67/20/63/969672063.db2.gz BKKYRXVMZKGOHF-QJPTWQEYSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2COC(C)(C)OC2)CC1 ZINC001254506412 969676402 /nfs/dbraw/zinc/67/64/02/969676402.db2.gz RTXMYQQKMRMXSR-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP COC(C)(C[NH2+][C@@H]1CCC[N@@H+](C)CC1)OC ZINC001254509083 969678381 /nfs/dbraw/zinc/67/83/81/969678381.db2.gz VRSKHHHIOQILTI-LLVKDONJSA-N 2 1 230.352 1.069 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517352 969694921 /nfs/dbraw/zinc/69/49/21/969694921.db2.gz URQINRJUQIHFIY-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254517352 969694934 /nfs/dbraw/zinc/69/49/34/969694934.db2.gz URQINRJUQIHFIY-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254517352 969694941 /nfs/dbraw/zinc/69/49/41/969694941.db2.gz URQINRJUQIHFIY-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@@H+](CC1(C)COC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254523550 969705169 /nfs/dbraw/zinc/70/51/69/969705169.db2.gz PAKJQFCNRKIYPV-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC1(C)COC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523550 969705180 /nfs/dbraw/zinc/70/51/80/969705180.db2.gz PAKJQFCNRKIYPV-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC1(C)COC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523550 969705189 /nfs/dbraw/zinc/70/51/89/969705189.db2.gz PAKJQFCNRKIYPV-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC3(C2)CCCOC3)CC1 ZINC001254521527 969706216 /nfs/dbraw/zinc/70/62/16/969706216.db2.gz VCJRFCPCVCYZNO-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC3(C2)CCCOC3)CC1 ZINC001254521530 969706873 /nfs/dbraw/zinc/70/68/73/969706873.db2.gz VCJRFCPCVCYZNO-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@H](N2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001254521771 969707047 /nfs/dbraw/zinc/70/70/47/969707047.db2.gz XFQUDSXJVGXPMF-ZDEQEGDKSA-N 2 1 226.339 1.761 20 0 BDADMP CN(CC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525499 969718643 /nfs/dbraw/zinc/71/86/43/969718643.db2.gz JTUJXCPQTCOULG-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP c1[nH+]c2c(cc1NCC[C@H]1CCC[NH2+]1)CCCN2 ZINC001169569329 969765900 /nfs/dbraw/zinc/76/59/00/969765900.db2.gz LBTHWBVCYZDCBK-GFCCVEGCSA-N 2 1 246.358 1.281 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)o1 ZINC000723633725 969791557 /nfs/dbraw/zinc/79/15/57/969791557.db2.gz LIETZYLDHBHDNX-LBPRGKRZSA-N 2 1 237.347 1.852 20 0 BDADMP C[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254921309 969818995 /nfs/dbraw/zinc/81/89/95/969818995.db2.gz AUUQDBKAWKQENC-NDBYEHHHSA-N 2 1 236.359 1.285 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254921309 969818996 /nfs/dbraw/zinc/81/89/96/969818996.db2.gz AUUQDBKAWKQENC-NDBYEHHHSA-N 2 1 236.359 1.285 20 0 BDADMP C[N@@H+]1CC[C@@H](C[NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254938550 969830613 /nfs/dbraw/zinc/83/06/13/969830613.db2.gz AUUQDBKAWKQENC-QJPTWQEYSA-N 2 1 236.359 1.285 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254938550 969830615 /nfs/dbraw/zinc/83/06/15/969830615.db2.gz AUUQDBKAWKQENC-QJPTWQEYSA-N 2 1 236.359 1.285 20 0 BDADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c[nH]1 ZINC001276682366 969867502 /nfs/dbraw/zinc/86/75/02/969867502.db2.gz KKUNSJOCRLIYMN-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c[nH]1 ZINC001276682366 969867503 /nfs/dbraw/zinc/86/75/03/969867503.db2.gz KKUNSJOCRLIYMN-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c[nH]1 ZINC001276682366 969867507 /nfs/dbraw/zinc/86/75/07/969867507.db2.gz KKUNSJOCRLIYMN-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)[nH]1 ZINC001276682366 969867508 /nfs/dbraw/zinc/86/75/08/969867508.db2.gz KKUNSJOCRLIYMN-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)[nH]1 ZINC001276682366 969867512 /nfs/dbraw/zinc/86/75/12/969867512.db2.gz KKUNSJOCRLIYMN-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)[nH]1 ZINC001276682366 969867515 /nfs/dbraw/zinc/86/75/15/969867515.db2.gz KKUNSJOCRLIYMN-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)[nH]1 ZINC001276682366 969867519 /nfs/dbraw/zinc/86/75/19/969867519.db2.gz KKUNSJOCRLIYMN-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001210496542 969907594 /nfs/dbraw/zinc/90/75/94/969907594.db2.gz HYCZDEDWNKGORJ-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc3c2CCN3)CC[NH2+]1 ZINC001210496542 969907598 /nfs/dbraw/zinc/90/75/98/969907598.db2.gz HYCZDEDWNKGORJ-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP CCCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001255318574 970088738 /nfs/dbraw/zinc/08/87/38/970088738.db2.gz AFHSGRNKXSKPIE-LBPRGKRZSA-N 2 1 216.369 1.469 20 0 BDADMP C[N@H+]1CC[C@@H](n2cnc3cccc(C[NH3+])c32)C1 ZINC001255419421 970144050 /nfs/dbraw/zinc/14/40/50/970144050.db2.gz HJNBZBNPRCWBFQ-LLVKDONJSA-N 2 1 230.315 1.372 20 0 BDADMP CC(C)[N@H+]1CCN([C@@H]2CC[NH+](C)C2)C[C@@H]1C ZINC001255443134 970176334 /nfs/dbraw/zinc/17/63/34/970176334.db2.gz KDUUHJFJSIRDMO-QWHCGFSZSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC001255443134 970176340 /nfs/dbraw/zinc/17/63/40/970176340.db2.gz KDUUHJFJSIRDMO-QWHCGFSZSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC001255443134 970176343 /nfs/dbraw/zinc/17/63/43/970176343.db2.gz KDUUHJFJSIRDMO-QWHCGFSZSA-N 2 1 225.380 1.105 20 0 BDADMP COC1CCC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001255463298 970191007 /nfs/dbraw/zinc/19/10/07/970191007.db2.gz LPWXJZWSJOXRJP-VTXSZYRJSA-N 2 1 238.375 1.437 20 0 BDADMP COc1ccnc(Nc2cncn2C)c1 ZINC001211245477 970191238 /nfs/dbraw/zinc/19/12/38/970191238.db2.gz OBBSVGSJOOBVJK-UHFFFAOYSA-N 2 1 204.233 1.567 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001255472169 970202712 /nfs/dbraw/zinc/20/27/12/970202712.db2.gz PQTPXEPZYFCBNX-GFCCVEGCSA-N 2 1 244.342 1.762 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2CCC[NH+](C)C2)C1 ZINC001255493455 970249191 /nfs/dbraw/zinc/24/91/91/970249191.db2.gz YCUWBORMFFELLE-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC001255493455 970249197 /nfs/dbraw/zinc/24/91/97/970249197.db2.gz YCUWBORMFFELLE-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255493455 970249211 /nfs/dbraw/zinc/24/92/11/970249211.db2.gz YCUWBORMFFELLE-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+]1CC2(C1)CCN([C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001255492920 970251730 /nfs/dbraw/zinc/25/17/30/970251730.db2.gz NXHKGQWIIBMOAK-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP COC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001255576470 970375960 /nfs/dbraw/zinc/37/59/60/970375960.db2.gz YVXUJZIDMXKPOO-LLVKDONJSA-N 2 1 214.353 1.295 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001170151703 970460408 /nfs/dbraw/zinc/46/04/08/970460408.db2.gz RQWIVSVMXOAUJZ-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1CCC[NH2+]1 ZINC000400383367 970585035 /nfs/dbraw/zinc/58/50/35/970585035.db2.gz XOVHSNACCVRKJE-TUAOUCFPSA-N 2 1 210.321 1.409 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](O)C[C@H]1C ZINC001255963139 970603249 /nfs/dbraw/zinc/60/32/49/970603249.db2.gz CYWHUIOAVODXEB-BFHYXJOUSA-N 2 1 242.407 1.952 20 0 BDADMP O[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256065982 970630282 /nfs/dbraw/zinc/63/02/82/970630282.db2.gz LTBRRCUQNRUJBC-WCQYABFASA-N 2 1 224.348 1.116 20 0 BDADMP COC(=[NH2+])c1cccc(NCC2C[NH+](C)C2)c1 ZINC001170256807 970639790 /nfs/dbraw/zinc/63/97/90/970639790.db2.gz XGRRIPALOZQNCJ-UHFFFAOYSA-N 2 1 233.315 1.632 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256073830 970643237 /nfs/dbraw/zinc/64/32/37/970643237.db2.gz ZYMWMROMWDNTJL-SMDDNHRTSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256073830 970643247 /nfs/dbraw/zinc/64/32/47/970643247.db2.gz ZYMWMROMWDNTJL-SMDDNHRTSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001256202234 970686193 /nfs/dbraw/zinc/68/61/93/970686193.db2.gz BAVOPQVTYUZADS-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001256202234 970686201 /nfs/dbraw/zinc/68/62/01/970686201.db2.gz BAVOPQVTYUZADS-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCCC[C@](O)(CF)C2)CC1 ZINC001256202939 970705623 /nfs/dbraw/zinc/70/56/23/970705623.db2.gz NSYAURZWNBRQFG-ZDUSSCGKSA-N 2 1 244.354 1.267 20 0 BDADMP C[NH+]1CCC([N@H+]2CCCC[C@](O)(CF)C2)CC1 ZINC001256202939 970705634 /nfs/dbraw/zinc/70/56/34/970705634.db2.gz NSYAURZWNBRQFG-ZDUSSCGKSA-N 2 1 244.354 1.267 20 0 BDADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@H](C)CCC(C)C ZINC001256355620 970752947 /nfs/dbraw/zinc/75/29/47/970752947.db2.gz ZOVBBRRLGNSWPZ-GHMZBOCLSA-N 2 1 230.352 1.149 20 0 BDADMP CCSC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542306 972567337 /nfs/dbraw/zinc/56/73/37/972567337.db2.gz JWGYDCTVYZTTPF-OPRDCNLKSA-N 2 1 202.367 1.550 20 0 BDADMP CCSC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542306 972567349 /nfs/dbraw/zinc/56/73/49/972567349.db2.gz JWGYDCTVYZTTPF-OPRDCNLKSA-N 2 1 202.367 1.550 20 0 BDADMP CC(C)[C@H]1C[C@@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542558 972582392 /nfs/dbraw/zinc/58/23/92/972582392.db2.gz QKRPSKKHOHWWTG-RFQIPJPRSA-N 3 1 239.407 1.290 20 0 BDADMP CC(C)[C@H]1C[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542558 972582396 /nfs/dbraw/zinc/58/23/96/972582396.db2.gz QKRPSKKHOHWWTG-RFQIPJPRSA-N 3 1 239.407 1.290 20 0 BDADMP CCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246545280 972629752 /nfs/dbraw/zinc/62/97/52/972629752.db2.gz VSBLVIOPFPMDQG-RYUDHWBXSA-N 2 1 214.353 1.351 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@](C)(O)C2)C[NH2+]1 ZINC001246545690 972653173 /nfs/dbraw/zinc/65/31/73/972653173.db2.gz CILHGTSPYLHCDM-UPJWGTAASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](C)(O)C2)C[NH2+]1 ZINC001246545690 972653178 /nfs/dbraw/zinc/65/31/78/972653178.db2.gz CILHGTSPYLHCDM-UPJWGTAASA-N 2 1 226.364 1.364 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550969 972723045 /nfs/dbraw/zinc/72/30/45/972723045.db2.gz ZNIUGIKXECLFAR-QNWHQSFQSA-N 2 1 236.359 1.557 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC001246556060 972762902 /nfs/dbraw/zinc/76/29/02/972762902.db2.gz AGGQHESNGSTINA-DGCLKSJQSA-N 2 1 246.354 1.891 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC001246556060 972762910 /nfs/dbraw/zinc/76/29/10/972762910.db2.gz AGGQHESNGSTINA-DGCLKSJQSA-N 2 1 246.354 1.891 20 0 BDADMP CCSC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566593 972808367 /nfs/dbraw/zinc/80/83/67/972808367.db2.gz SJYUVNPUYPTJTD-MXWKQRLJSA-N 2 1 216.394 1.797 20 0 BDADMP CCSC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566593 972808372 /nfs/dbraw/zinc/80/83/72/972808372.db2.gz SJYUVNPUYPTJTD-MXWKQRLJSA-N 2 1 216.394 1.797 20 0 BDADMP C[C@H]1CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246560698 972793304 /nfs/dbraw/zinc/79/33/04/972793304.db2.gz RZRRTFRAWILJKS-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246565374 972811201 /nfs/dbraw/zinc/81/12/01/972811201.db2.gz CNRVXZQNTDNASN-IJLUTSLNSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCCOC2)CC1 ZINC001246577903 972895441 /nfs/dbraw/zinc/89/54/41/972895441.db2.gz QRLGLQOWLTVIHR-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592583 973000065 /nfs/dbraw/zinc/00/00/65/973000065.db2.gz KOEIVQJJRLZAJY-MQYQWHSLSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592583 973000073 /nfs/dbraw/zinc/00/00/73/973000073.db2.gz KOEIVQJJRLZAJY-MQYQWHSLSA-N 3 1 237.391 1.330 20 0 BDADMP CC(C)CC[C@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246620856 973039955 /nfs/dbraw/zinc/03/99/55/973039955.db2.gz AUEIVGNWINIEKK-UONOGXRCSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246635993 973047000 /nfs/dbraw/zinc/04/70/00/973047000.db2.gz BPTRJDPOXZJPNK-CHWSQXEVSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C[NH2+]1 ZINC001246769989 973088114 /nfs/dbraw/zinc/08/81/14/973088114.db2.gz MCQSAYOBCKQKOL-CSYMLDBXSA-N 2 1 212.312 1.559 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCO3)C2)CC[NH2+]1 ZINC001246828668 973117470 /nfs/dbraw/zinc/11/74/70/973117470.db2.gz FMZWIVPRJVBWCH-UPJWGTAASA-N 2 1 224.348 1.382 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246854665 973170814 /nfs/dbraw/zinc/17/08/14/973170814.db2.gz QMDLOAKGZKHEMV-RYSNWHEDSA-N 3 1 237.391 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001246854665 973170834 /nfs/dbraw/zinc/17/08/34/973170834.db2.gz QMDLOAKGZKHEMV-RYSNWHEDSA-N 2 1 237.391 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001246854665 973170860 /nfs/dbraw/zinc/17/08/60/973170860.db2.gz QMDLOAKGZKHEMV-RYSNWHEDSA-N 2 1 237.391 1.282 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860592 973178179 /nfs/dbraw/zinc/17/81/79/973178179.db2.gz NLBFDZWZWUHPHA-NFAWXSAZSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860592 973178192 /nfs/dbraw/zinc/17/81/92/973178192.db2.gz NLBFDZWZWUHPHA-NFAWXSAZSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860592 973178198 /nfs/dbraw/zinc/17/81/98/973178198.db2.gz NLBFDZWZWUHPHA-NFAWXSAZSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1CCC(F)(F)CC1)C2 ZINC001246862861 973184180 /nfs/dbraw/zinc/18/41/80/973184180.db2.gz SAZOWGWQQWLPOH-MWLCHTKSSA-N 2 1 230.302 1.987 20 0 BDADMP CC[C@@H](C)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711421 973226672 /nfs/dbraw/zinc/22/66/72/973226672.db2.gz RSOKVGPVSWGMDF-GFCCVEGCSA-N 2 1 243.395 1.080 20 0 BDADMP CCC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923456 973543493 /nfs/dbraw/zinc/54/34/93/973543493.db2.gz YLZGTFAQHSETRV-POOIEITISA-N 2 1 208.349 1.859 20 0 BDADMP CCC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923456 973543505 /nfs/dbraw/zinc/54/35/05/973543505.db2.gz YLZGTFAQHSETRV-POOIEITISA-N 2 1 208.349 1.859 20 0 BDADMP CCCC(CCC)[N@@H+]1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001246929999 973568570 /nfs/dbraw/zinc/56/85/70/973568570.db2.gz JGNVGFDZZJTLCW-VXGBXAGGSA-N 2 1 242.363 1.387 20 0 BDADMP CC(C)C[N@@H+](C[C@@H](C)N)CC1CC[NH+](C)CC1 ZINC001329376964 973722011 /nfs/dbraw/zinc/72/20/11/973722011.db2.gz WESCBBROUGUQCC-CYBMUJFWSA-N 2 1 241.423 1.633 20 0 BDADMP C1[NH2+]CC12CC[C@@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247014120 973793720 /nfs/dbraw/zinc/79/37/20/973793720.db2.gz IYBKLBGKKPHIBK-MGPQQGTHSA-N 3 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247014120 973793732 /nfs/dbraw/zinc/79/37/32/973793732.db2.gz IYBKLBGKKPHIBK-MGPQQGTHSA-N 3 1 249.402 1.202 20 0 BDADMP C[N@H+]1CC[C@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224704451 973870645 /nfs/dbraw/zinc/87/06/45/973870645.db2.gz YXEVTHAJHSAGNP-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CC[C@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224704451 973870650 /nfs/dbraw/zinc/87/06/50/973870650.db2.gz YXEVTHAJHSAGNP-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CC[C@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224704451 973870658 /nfs/dbraw/zinc/87/06/58/973870658.db2.gz YXEVTHAJHSAGNP-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC=C(C)C ZINC001148643377 973874067 /nfs/dbraw/zinc/87/40/67/973874067.db2.gz XPYMBBKTGXQMJF-UHFFFAOYSA-N 2 1 241.379 1.000 20 0 BDADMP C([N@@H+]1CC[C@H]2OCCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC001329802124 973942210 /nfs/dbraw/zinc/94/22/10/973942210.db2.gz ZLOWYODZNRWWOL-YIFLHPOLSA-N 2 1 236.359 1.239 20 0 BDADMP C([N@H+]1CC[C@H]2OCCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC001329802124 973942224 /nfs/dbraw/zinc/94/22/24/973942224.db2.gz ZLOWYODZNRWWOL-YIFLHPOLSA-N 2 1 236.359 1.239 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224817288 973996639 /nfs/dbraw/zinc/99/66/39/973996639.db2.gz LSBICAJJQTZJBE-STQMWFEESA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)[NH+]1CC[C@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224817288 973996656 /nfs/dbraw/zinc/99/66/56/973996656.db2.gz LSBICAJJQTZJBE-STQMWFEESA-N 2 1 226.364 1.580 20 0 BDADMP C[N@H+]1CCC[C@H]1COC1CC[NH+](C)CC1 ZINC001224821047 974006101 /nfs/dbraw/zinc/00/61/01/974006101.db2.gz YVDWAHSWRIGNJE-NSHDSACASA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](C)CCCCO[C@@H]1CCc2[nH+]ccn2C1 ZINC001224991607 974121958 /nfs/dbraw/zinc/12/19/58/974121958.db2.gz XFTVQZIOKJAZML-GFCCVEGCSA-N 2 1 237.347 1.556 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171732025 974142502 /nfs/dbraw/zinc/14/25/02/974142502.db2.gz GJOLVGBEXUVFTN-NMFUWQPSSA-N 2 1 245.370 1.339 20 0 BDADMP C[C@@H]1C[C@@H](NOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171726601 974143451 /nfs/dbraw/zinc/14/34/51/974143451.db2.gz YOELVLBONYBIDD-TZMCWYRMSA-N 2 1 249.358 1.129 20 0 BDADMP N[C@@H]1CC[N@@H+](CC2CCSCC2)CC[C@H]1F ZINC001206156884 974329619 /nfs/dbraw/zinc/32/96/19/974329619.db2.gz SZVRPGOXKPZJAV-VXGBXAGGSA-N 2 1 246.395 1.891 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCSCC2)CC[C@H]1F ZINC001206156884 974329633 /nfs/dbraw/zinc/32/96/33/974329633.db2.gz SZVRPGOXKPZJAV-VXGBXAGGSA-N 2 1 246.395 1.891 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCSCC2)CC[C@H]1F ZINC001206156884 974329640 /nfs/dbraw/zinc/32/96/40/974329640.db2.gz SZVRPGOXKPZJAV-VXGBXAGGSA-N 2 1 246.395 1.891 20 0 BDADMP N[C@@H]1CC[N@@H+](CCCCCC[NH3+])CC[C@H]1F ZINC001206155617 974330983 /nfs/dbraw/zinc/33/09/83/974330983.db2.gz MSMVOEWECXMDKP-VXGBXAGGSA-N 3 1 231.359 1.267 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206155617 974330996 /nfs/dbraw/zinc/33/09/96/974330996.db2.gz MSMVOEWECXMDKP-VXGBXAGGSA-N 3 1 231.359 1.267 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206155617 974331002 /nfs/dbraw/zinc/33/10/02/974331002.db2.gz MSMVOEWECXMDKP-VXGBXAGGSA-N 3 1 231.359 1.267 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001206156406 974339994 /nfs/dbraw/zinc/33/99/94/974339994.db2.gz QOJBXOQDGKMBQV-AVGNSLFASA-N 2 1 243.370 1.089 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001172124913 974353013 /nfs/dbraw/zinc/35/30/13/974353013.db2.gz MXKGLIPRPOZOCJ-NDKCEZKHSA-N 2 1 236.359 1.475 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001172124913 974353024 /nfs/dbraw/zinc/35/30/24/974353024.db2.gz MXKGLIPRPOZOCJ-NDKCEZKHSA-N 2 1 236.359 1.475 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001172124913 974353031 /nfs/dbraw/zinc/35/30/31/974353031.db2.gz MXKGLIPRPOZOCJ-NDKCEZKHSA-N 2 1 236.359 1.475 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccncn1)C2 ZINC001172101812 974360476 /nfs/dbraw/zinc/36/04/76/974360476.db2.gz BLIQTRPQHIPAEI-BTTYYORXSA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccncn1)C2 ZINC001172101812 974360486 /nfs/dbraw/zinc/36/04/86/974360486.db2.gz BLIQTRPQHIPAEI-BTTYYORXSA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CC(O)C1)C2 ZINC001172108003 974363598 /nfs/dbraw/zinc/36/35/98/974363598.db2.gz NKLGYSNDRFPFJO-RUCXBIIGSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(F)COC1)C2 ZINC001172105124 974364742 /nfs/dbraw/zinc/36/47/42/974364742.db2.gz HBAHHNASOQUUKX-ZSBIGDGJSA-N 2 1 242.338 1.330 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@]1(C)C[C@H](O)C1)C2 ZINC001172107908 974366020 /nfs/dbraw/zinc/36/60/20/974366020.db2.gz LMOCKPNFNIPVQN-VJUFMGLXSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@]1(C)C[C@H](O)C1)C2 ZINC001172107908 974366028 /nfs/dbraw/zinc/36/60/28/974366028.db2.gz LMOCKPNFNIPVQN-VJUFMGLXSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(CO)C1)C2 ZINC001172108051 974366379 /nfs/dbraw/zinc/36/63/79/974366379.db2.gz OLXUUFVPSQGEGD-UMHABRDISA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(CO)C1)C2 ZINC001172108051 974366387 /nfs/dbraw/zinc/36/63/87/974366387.db2.gz OLXUUFVPSQGEGD-UMHABRDISA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001172105420 974367673 /nfs/dbraw/zinc/36/76/73/974367673.db2.gz ICEJZIUWLYKGDN-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cnoc1)C2 ZINC001172112554 974371189 /nfs/dbraw/zinc/37/11/89/974371189.db2.gz XNYHFUGWZSOLTE-ZSOGYDGISA-N 2 1 249.358 1.822 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@]1(C)CCOC1)C2 ZINC001172111876 974376760 /nfs/dbraw/zinc/37/67/60/974376760.db2.gz XSCNGQMCZCDYIC-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@]1(C)CCOC1)C2 ZINC001172111876 974376771 /nfs/dbraw/zinc/37/67/71/974376771.db2.gz XSCNGQMCZCDYIC-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001172122190 974388414 /nfs/dbraw/zinc/38/84/14/974388414.db2.gz XJXRXWSSWDPASL-HPCHECBXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001172122190 974388421 /nfs/dbraw/zinc/38/84/21/974388421.db2.gz XJXRXWSSWDPASL-HPCHECBXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1O ZINC001172122190 974388425 /nfs/dbraw/zinc/38/84/25/974388425.db2.gz XJXRXWSSWDPASL-HPCHECBXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1O ZINC001172122190 974388428 /nfs/dbraw/zinc/38/84/28/974388428.db2.gz XJXRXWSSWDPASL-HPCHECBXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1COCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121032 974389415 /nfs/dbraw/zinc/38/94/15/974389415.db2.gz ODSDQOGAHLNEAA-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121032 974389420 /nfs/dbraw/zinc/38/94/20/974389420.db2.gz ODSDQOGAHLNEAA-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121032 974389430 /nfs/dbraw/zinc/38/94/30/974389430.db2.gz ODSDQOGAHLNEAA-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121032 974389435 /nfs/dbraw/zinc/38/94/35/974389435.db2.gz ODSDQOGAHLNEAA-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]([C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1(C)COC1 ZINC001172121092 974393380 /nfs/dbraw/zinc/39/33/80/974393380.db2.gz CIGGJTUPNKEHER-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]([C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1(C)COC1 ZINC001172121092 974393388 /nfs/dbraw/zinc/39/33/88/974393388.db2.gz CIGGJTUPNKEHER-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1(C)COC1 ZINC001172121092 974393394 /nfs/dbraw/zinc/39/33/94/974393394.db2.gz CIGGJTUPNKEHER-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1(C)COC1 ZINC001172121092 974393403 /nfs/dbraw/zinc/39/34/03/974393403.db2.gz CIGGJTUPNKEHER-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172217640 974446468 /nfs/dbraw/zinc/44/64/68/974446468.db2.gz HMLHVGWCWVIPNN-FUDCBSFHSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223304 974461522 /nfs/dbraw/zinc/46/15/22/974461522.db2.gz CAAFRXNOSHFUGE-APYLGABCSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223304 974461528 /nfs/dbraw/zinc/46/15/28/974461528.db2.gz CAAFRXNOSHFUGE-APYLGABCSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172230896 974471712 /nfs/dbraw/zinc/47/17/12/974471712.db2.gz NFZHBTMWHHLFLA-RLAWYHOSSA-N 2 1 236.359 1.404 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172232779 974475439 /nfs/dbraw/zinc/47/54/39/974475439.db2.gz LJVFZGQGHSWARR-YOGCLGLASA-N 2 1 233.315 1.351 20 0 BDADMP COCCC[NH+]1CCC([NH2+]C2CC2)CC1 ZINC001172243086 974509703 /nfs/dbraw/zinc/50/97/03/974509703.db2.gz MXMBOIPFVCCFAZ-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP CC1(C)C[C@@H](n2cc[nH+]c2CCC[NH3+])CO1 ZINC001172279777 974538746 /nfs/dbraw/zinc/53/87/46/974538746.db2.gz JYSKYDSIFIGGAF-SNVBAGLBSA-N 2 1 223.320 1.514 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172433630 974719307 /nfs/dbraw/zinc/71/93/07/974719307.db2.gz KDXSVALMNKOVIW-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCc2c1cccc2F ZINC001331513334 974746516 /nfs/dbraw/zinc/74/65/16/974746516.db2.gz CALXSQGCZSHMCV-RNCFNFMXSA-N 2 1 238.306 1.064 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001172444138 974805501 /nfs/dbraw/zinc/80/55/01/974805501.db2.gz IZSHLEXUWHZMKO-CYBMUJFWSA-N 2 1 246.395 1.094 20 0 BDADMP CC[N@@H+](C)C[C@H](O)Cn1c(C)[nH+]c(C)c1C ZINC001332063497 974938358 /nfs/dbraw/zinc/93/83/58/974938358.db2.gz FYGPRYLBZKGWRD-LBPRGKRZSA-N 2 1 225.336 1.121 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC001332422555 975110844 /nfs/dbraw/zinc/11/08/44/975110844.db2.gz XIKDEMKVQWDCFV-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001332814683 975287990 /nfs/dbraw/zinc/28/79/90/975287990.db2.gz BOLLBTCJMTZSLN-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2cccc(C[NH3+])c2)C1 ZINC001173350577 975296507 /nfs/dbraw/zinc/29/65/07/975296507.db2.gz QKQHLRFSGHOKIR-CYBMUJFWSA-N 2 1 219.332 1.651 20 0 BDADMP CC[N@H+]1CC[C@@H](n2cccc2CC[NH3+])C1 ZINC001173357203 975314880 /nfs/dbraw/zinc/31/48/80/975314880.db2.gz IVDFTXIVBYYLDW-GFCCVEGCSA-N 2 1 207.321 1.256 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ccnc2CCC[NH3+])C1 ZINC001173358239 975323051 /nfs/dbraw/zinc/32/30/51/975323051.db2.gz YNAUKHHHLPWPGF-LLVKDONJSA-N 2 1 222.336 1.041 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC001173362429 975337875 /nfs/dbraw/zinc/33/78/75/975337875.db2.gz HBQUPSOPLBNRDG-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001173370265 975359905 /nfs/dbraw/zinc/35/99/05/975359905.db2.gz GIJJTKQLFZRANN-KBPBESRZSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001173370265 975359913 /nfs/dbraw/zinc/35/99/13/975359913.db2.gz GIJJTKQLFZRANN-KBPBESRZSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC001173370265 975359923 /nfs/dbraw/zinc/35/99/23/975359923.db2.gz GIJJTKQLFZRANN-KBPBESRZSA-N 2 1 237.391 1.108 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC001334042672 976241636 /nfs/dbraw/zinc/24/16/36/976241636.db2.gz XSRPFWRZUWCNOS-UKIXVXPJSA-N 2 1 238.375 1.207 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)C1 ZINC001334356250 976465686 /nfs/dbraw/zinc/46/56/86/976465686.db2.gz VUJNVESIQYZUBZ-IGQOVBAYSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)C1 ZINC001334356255 976467593 /nfs/dbraw/zinc/46/75/93/976467593.db2.gz VUJNVESIQYZUBZ-XJFOESAGSA-N 2 1 240.391 1.731 20 0 BDADMP CSC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001335433198 977057376 /nfs/dbraw/zinc/05/73/76/977057376.db2.gz RWNLROOTPBGSLK-NWDGAFQWSA-N 2 1 246.420 1.032 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](F)C1)C1CC1 ZINC001335512673 977108730 /nfs/dbraw/zinc/10/87/30/977108730.db2.gz IFHKYNUCXYBFSH-NTZNESFSSA-N 2 1 244.354 1.312 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](F)C1)C1CC1 ZINC001335512673 977108735 /nfs/dbraw/zinc/10/87/35/977108735.db2.gz IFHKYNUCXYBFSH-NTZNESFSSA-N 2 1 244.354 1.312 20 0 BDADMP CCC[N@H+](CC(=O)OC)CC1CC[NH+](C)CC1 ZINC000691574177 977249206 /nfs/dbraw/zinc/24/92/06/977249206.db2.gz XVNQPLDUVNTDBY-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H](O)C1CC1 ZINC001335930576 977371887 /nfs/dbraw/zinc/37/18/87/977371887.db2.gz VEDGFGRYZUBFKH-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001336096233 977502558 /nfs/dbraw/zinc/50/25/58/977502558.db2.gz RAYKXPDMHKYOHT-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001336096233 977502576 /nfs/dbraw/zinc/50/25/76/977502576.db2.gz RAYKXPDMHKYOHT-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC001336396758 977659105 /nfs/dbraw/zinc/65/91/05/977659105.db2.gz PCTHLNZPESGHTE-BETUJISGSA-N 2 1 249.358 1.627 20 0 BDADMP C[C@@H]1C[N@H+](CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC001336396758 977659114 /nfs/dbraw/zinc/65/91/14/977659114.db2.gz PCTHLNZPESGHTE-BETUJISGSA-N 2 1 249.358 1.627 20 0 BDADMP OCC[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]cc1 ZINC001336423997 977675632 /nfs/dbraw/zinc/67/56/32/977675632.db2.gz QYXGTMKZXWTNRQ-ZIAGYGMSSA-N 2 1 247.342 1.117 20 0 BDADMP CC[N@@H+]1CCC[C@@H](CNc2cc(N)[nH+]cn2)C1 ZINC001336488646 977716215 /nfs/dbraw/zinc/71/62/15/977716215.db2.gz CUUBLKJDXCCXCG-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNc2cc(N)[nH+]cn2)C1 ZINC001336488646 977716228 /nfs/dbraw/zinc/71/62/28/977716228.db2.gz CUUBLKJDXCCXCG-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC001336738977 977896336 /nfs/dbraw/zinc/89/63/36/977896336.db2.gz KGHIFOTVPHCSAQ-GXTWGEPZSA-N 2 1 249.358 1.046 20 0 BDADMP CC(C)[NH+]1CCC(N(C)c2cc[nH+]c(N)n2)CC1 ZINC001336970759 978093185 /nfs/dbraw/zinc/09/31/85/978093185.db2.gz MIENAZUDGSTVML-UHFFFAOYSA-N 2 1 249.362 1.368 20 0 BDADMP CCCC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176975677 978266497 /nfs/dbraw/zinc/26/64/97/978266497.db2.gz SSIRFDGTPMCTLM-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP CCC1(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)COC1 ZINC001206292625 978289218 /nfs/dbraw/zinc/28/92/18/978289218.db2.gz CYPMDZLCNTXKMD-CYBMUJFWSA-N 2 1 240.391 1.864 20 0 BDADMP CCN1CC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000328335198 978289593 /nfs/dbraw/zinc/28/95/93/978289593.db2.gz IWMBIRWEPXMZOF-WXRRBKDZSA-N 2 1 225.380 1.282 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206294031 978291251 /nfs/dbraw/zinc/29/12/51/978291251.db2.gz IOZKZHQUUHVMAR-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](OCCC[NH+](C)C)C1 ZINC001206297207 978311864 /nfs/dbraw/zinc/31/18/64/978311864.db2.gz SDKWWILNAVYMDB-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP c1cc(N2CCC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC001337655039 978441991 /nfs/dbraw/zinc/44/19/91/978441991.db2.gz NQZHJQXJDSUTHA-ZDUSSCGKSA-N 2 1 217.316 1.756 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)o1 ZINC001206318605 978518519 /nfs/dbraw/zinc/51/85/19/978518519.db2.gz RWLRKAJUMXHHFJ-CYBMUJFWSA-N 2 1 237.347 1.934 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c[nH]1 ZINC001206318466 978519021 /nfs/dbraw/zinc/51/90/21/978519021.db2.gz PXRZDIAZDAQSKO-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)[nH]1 ZINC001206318466 978519028 /nfs/dbraw/zinc/51/90/28/978519028.db2.gz PXRZDIAZDAQSKO-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)[nH]1 ZINC001206318466 978519034 /nfs/dbraw/zinc/51/90/34/978519034.db2.gz PXRZDIAZDAQSKO-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC001338474526 978687966 /nfs/dbraw/zinc/68/79/66/978687966.db2.gz MNQUWZIPVAXGGC-CYBMUJFWSA-N 2 1 239.363 1.349 20 0 BDADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccccn1)[NH+](C)C ZINC001338474016 978688191 /nfs/dbraw/zinc/68/81/91/978688191.db2.gz LMSWSZIKMJOTMF-DGCLKSJQSA-N 2 1 237.347 1.045 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(O)c3)[C@H]2C1 ZINC001179816017 978758090 /nfs/dbraw/zinc/75/80/90/978758090.db2.gz JSVVRHCYRMYPEX-QEJZJMRPSA-N 2 1 246.354 1.822 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(O)c3)[C@H]2C1 ZINC001179816017 978758095 /nfs/dbraw/zinc/75/80/95/978758095.db2.gz JSVVRHCYRMYPEX-QEJZJMRPSA-N 2 1 246.354 1.822 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000069894045 978788141 /nfs/dbraw/zinc/78/81/41/978788141.db2.gz BTCQMCWYWVDJKQ-SDDRHHMPSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@]1(F)CCCC[N@@H+](CCCC[NH3+])C1 ZINC001206405580 978794032 /nfs/dbraw/zinc/79/40/32/978794032.db2.gz QGFXPWADXCAMKY-NSHDSACASA-N 2 1 202.317 1.939 20 0 BDADMP [NH3+][C@@H]1C[C@@H](F)CN(Cc2[nH+]cc3ccccn32)C1 ZINC001206414903 978849023 /nfs/dbraw/zinc/84/90/23/978849023.db2.gz RUNADKDPHFXILM-GHMZBOCLSA-N 2 1 248.305 1.205 20 0 BDADMP Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234980131 978941025 /nfs/dbraw/zinc/94/10/25/978941025.db2.gz FVYJGVFUOFXQKD-HNNXBMFYSA-N 2 1 245.370 1.132 20 0 BDADMP OCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994267 978946495 /nfs/dbraw/zinc/94/64/95/978946495.db2.gz RGDVBSOQXGOYMA-ZDUSSCGKSA-N 2 1 226.364 1.225 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001339998984 978952912 /nfs/dbraw/zinc/95/29/12/978952912.db2.gz LIJKREZLQKCEKQ-YRGRVCCFSA-N 2 1 231.343 1.564 20 0 BDADMP CC1(C)C[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001235039631 978959098 /nfs/dbraw/zinc/95/90/98/978959098.db2.gz WUSXPEKTEROZFN-RWMBFGLXSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001235039631 978959105 /nfs/dbraw/zinc/95/91/05/978959105.db2.gz WUSXPEKTEROZFN-RWMBFGLXSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC3)CC2)O1 ZINC001235094310 978974177 /nfs/dbraw/zinc/97/41/77/978974177.db2.gz JXUZZVMPTDWAIV-NSHDSACASA-N 2 1 224.348 1.587 20 0 BDADMP C[N@H+]1CCC[C@]2(CCC[NH+](C3CC3)C2)C1 ZINC001277921915 978974788 /nfs/dbraw/zinc/97/47/88/978974788.db2.gz HSWYHXIWWUEMQY-ZDUSSCGKSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@]2(CCC[N@@H+](C3CC3)C2)C1 ZINC001277921915 978974791 /nfs/dbraw/zinc/97/47/91/978974791.db2.gz HSWYHXIWWUEMQY-ZDUSSCGKSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@]2(CCC[N@H+](C3CC3)C2)C1 ZINC001277921915 978974795 /nfs/dbraw/zinc/97/47/95/978974795.db2.gz HSWYHXIWWUEMQY-ZDUSSCGKSA-N 2 1 208.349 1.957 20 0 BDADMP [NH3+]C12CC(CC[N@@H+]3CCCC[C@]34CC[NH2+]C4)(C1)C2 ZINC001235120483 978978420 /nfs/dbraw/zinc/97/84/20/978978420.db2.gz BUHUNTGNXKFUHY-YMAMQOFZSA-N 3 1 249.402 1.476 20 0 BDADMP [NH3+]C12CC(CC[N@H+]3CCCC[C@]34CC[NH2+]C4)(C1)C2 ZINC001235120483 978978425 /nfs/dbraw/zinc/97/84/25/978978425.db2.gz BUHUNTGNXKFUHY-YMAMQOFZSA-N 3 1 249.402 1.476 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235122688 978979363 /nfs/dbraw/zinc/97/93/63/978979363.db2.gz HVAIZAPUWPWMTD-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235122688 978979365 /nfs/dbraw/zinc/97/93/65/978979365.db2.gz HVAIZAPUWPWMTD-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152817 978982205 /nfs/dbraw/zinc/98/22/05/978982205.db2.gz PLJJZROHFYBROG-AWEZNQCLSA-N 3 1 239.407 1.579 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235435689 979046861 /nfs/dbraw/zinc/04/68/61/979046861.db2.gz UUUMQVUWQXTTAH-UHFFFAOYSA-N 3 1 233.359 1.113 20 0 BDADMP CN(CCC[NH3+])Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235435689 979046864 /nfs/dbraw/zinc/04/68/64/979046864.db2.gz UUUMQVUWQXTTAH-UHFFFAOYSA-N 2 1 233.359 1.113 20 0 BDADMP C[C@H]([NH3+])CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC001235675368 979113514 /nfs/dbraw/zinc/11/35/14/979113514.db2.gz WUFRJQFFYKZZHX-GXTWGEPZSA-N 2 1 233.359 1.322 20 0 BDADMP COC(=O)CC[N@@H+](CCCC[NH3+])C1CCCC1 ZINC001235690029 979121049 /nfs/dbraw/zinc/12/10/49/979121049.db2.gz JFTYFZRERXZTDF-UHFFFAOYSA-N 2 1 242.363 1.533 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CC1Cc3ccccc3C1)C2 ZINC001235976997 979237915 /nfs/dbraw/zinc/23/79/15/979237915.db2.gz DTBYRWSXZQNMCH-HZPDHXFCSA-N 2 1 242.366 1.825 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1cccnc1)C2 ZINC001235977278 979242057 /nfs/dbraw/zinc/24/20/57/979242057.db2.gz FZRVTKFCGOSMNG-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1cccnc1)C2 ZINC001235977278 979242065 /nfs/dbraw/zinc/24/20/65/979242065.db2.gz FZRVTKFCGOSMNG-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235976981 979245267 /nfs/dbraw/zinc/24/52/67/979245267.db2.gz DRDNKYHLRAQCBC-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCc1cccs1)C2 ZINC001235981939 979256845 /nfs/dbraw/zinc/25/68/45/979256845.db2.gz YTHXTMGTBJRFLD-JQWIXIFHSA-N 2 1 222.357 1.714 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCc1cccs1)C2 ZINC001235981939 979256851 /nfs/dbraw/zinc/25/68/51/979256851.db2.gz YTHXTMGTBJRFLD-JQWIXIFHSA-N 2 1 222.357 1.714 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1ccncc1)C2 ZINC001235981802 979257610 /nfs/dbraw/zinc/25/76/10/979257610.db2.gz XJHYLVLBRUBAEH-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC001235981802 979257618 /nfs/dbraw/zinc/25/76/18/979257618.db2.gz XJHYLVLBRUBAEH-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1ccncc1)C2 ZINC001235981800 979261278 /nfs/dbraw/zinc/26/12/78/979261278.db2.gz XJHYLVLBRUBAEH-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC001235981800 979261285 /nfs/dbraw/zinc/26/12/85/979261285.db2.gz XJHYLVLBRUBAEH-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP CS[C@H](C)CC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014114 979297745 /nfs/dbraw/zinc/29/77/45/979297745.db2.gz FBCHDZMEQBHBHL-OPRDCNLKSA-N 2 1 200.351 1.161 20 0 BDADMP CS[C@H](C)CC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014114 979297754 /nfs/dbraw/zinc/29/77/54/979297754.db2.gz FBCHDZMEQBHBHL-OPRDCNLKSA-N 2 1 200.351 1.161 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001236042579 979336022 /nfs/dbraw/zinc/33/60/22/979336022.db2.gz RMZBCESUKQJWNQ-JQWIXIFHSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001236042579 979336038 /nfs/dbraw/zinc/33/60/38/979336038.db2.gz RMZBCESUKQJWNQ-JQWIXIFHSA-N 2 1 212.337 1.082 20 0 BDADMP CCCCC[N@@H+](C)CCC(=O)NCC[NH+](C)C ZINC001181863935 979344077 /nfs/dbraw/zinc/34/40/77/979344077.db2.gz SMEFHGKPWJPZTR-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCCN1 ZINC001236097076 979385937 /nfs/dbraw/zinc/38/59/37/979385937.db2.gz HJIGUHWSPFAUCE-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC001236097076 979385948 /nfs/dbraw/zinc/38/59/48/979385948.db2.gz HJIGUHWSPFAUCE-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP CCc1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206474948 979391974 /nfs/dbraw/zinc/39/19/74/979391974.db2.gz KOWVFHQRGUKMDC-UONOGXRCSA-N 2 1 234.343 1.000 20 0 BDADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236170626 979424766 /nfs/dbraw/zinc/42/47/66/979424766.db2.gz XLIDIUYKOBETJZ-CHWSQXEVSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236170626 979424777 /nfs/dbraw/zinc/42/47/77/979424777.db2.gz XLIDIUYKOBETJZ-CHWSQXEVSA-N 2 1 242.407 1.987 20 0 BDADMP CCC[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001236176747 979434999 /nfs/dbraw/zinc/43/49/99/979434999.db2.gz BJNHHOGJUSMPJC-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001236176747 979435010 /nfs/dbraw/zinc/43/50/10/979435010.db2.gz BJNHHOGJUSMPJC-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001277979881 979443141 /nfs/dbraw/zinc/44/31/41/979443141.db2.gz RRTFKHHFOVNEJW-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP C[N@H+](Cc1cccc(N)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216900 979451821 /nfs/dbraw/zinc/45/18/21/979451821.db2.gz MBURJDBZIBZRHD-KBPBESRZSA-N 2 1 233.359 1.971 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216900 979451834 /nfs/dbraw/zinc/45/18/34/979451834.db2.gz MBURJDBZIBZRHD-KBPBESRZSA-N 2 1 233.359 1.971 20 0 BDADMP CC1(C)C[C@H](C[N@@H+]2CCC[C@@H]2C[NH3+])CCO1 ZINC001236244883 979464122 /nfs/dbraw/zinc/46/41/22/979464122.db2.gz OCYJIZQAXHRHNR-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H]2C[NH3+])CCO1 ZINC001236244883 979464127 /nfs/dbraw/zinc/46/41/27/979464127.db2.gz OCYJIZQAXHRHNR-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CC1CCSCC1 ZINC001236245800 979465916 /nfs/dbraw/zinc/46/59/16/979465916.db2.gz VLWZBCYTGFGLPQ-LLVKDONJSA-N 2 1 214.378 1.553 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CC1CCSCC1 ZINC001236245800 979465919 /nfs/dbraw/zinc/46/59/19/979465919.db2.gz VLWZBCYTGFGLPQ-LLVKDONJSA-N 2 1 214.378 1.553 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)co1 ZINC001236314367 979525132 /nfs/dbraw/zinc/52/51/32/979525132.db2.gz CHOXDAWZUPCIBE-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236316263 979527384 /nfs/dbraw/zinc/52/73/84/979527384.db2.gz QIQDZOLGYBOZDQ-BETUJISGSA-N 2 1 246.358 1.216 20 0 BDADMP C(C1CCOCC1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315228 979528025 /nfs/dbraw/zinc/52/80/25/979528025.db2.gz WTGDYKBRBRRPHQ-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP c1csc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236316473 979529747 /nfs/dbraw/zinc/52/97/47/979529747.db2.gz SURNMFZLEKBVII-PHIMTYICSA-N 2 1 237.372 1.575 20 0 BDADMP Oc1cccnc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316552 979530235 /nfs/dbraw/zinc/53/02/35/979530235.db2.gz UESFFFCHUITWMD-TXEJJXNPSA-N 2 1 247.342 1.219 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319905 979531448 /nfs/dbraw/zinc/53/14/48/979531448.db2.gz HPGFTPRSTQPGQB-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)sn1 ZINC001236321145 979532863 /nfs/dbraw/zinc/53/28/63/979532863.db2.gz GGJGYJCYYYWRCX-PHIMTYICSA-N 2 1 237.372 1.575 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@]23CCOC3)CC1 ZINC001182434330 979534035 /nfs/dbraw/zinc/53/40/35/979534035.db2.gz NZUNQULAFSDIGC-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP CNCC[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566880 979639095 /nfs/dbraw/zinc/63/90/95/979639095.db2.gz ODCQRXIJNVKYFI-MQMHXKEQSA-N 2 1 239.407 1.720 20 0 BDADMP C[NH2+]CCN(C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566880 979639107 /nfs/dbraw/zinc/63/91/07/979639107.db2.gz ODCQRXIJNVKYFI-MQMHXKEQSA-N 2 1 239.407 1.720 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCCO)C2CCC2)CC1 ZINC001236573252 979639919 /nfs/dbraw/zinc/63/99/19/979639919.db2.gz ZYLSVMMKNAOMPE-MQMHXKEQSA-N 2 1 240.391 1.883 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206541714 979644647 /nfs/dbraw/zinc/64/46/47/979644647.db2.gz IFLYDCLYPCQZSA-UONOGXRCSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206541714 979644649 /nfs/dbraw/zinc/64/46/49/979644649.db2.gz IFLYDCLYPCQZSA-UONOGXRCSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001206549654 979702490 /nfs/dbraw/zinc/70/24/90/979702490.db2.gz POFZAENXFPLJFV-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC001205255089 979732224 /nfs/dbraw/zinc/73/22/24/979732224.db2.gz GLONLSSBQJUPBW-CYBMUJFWSA-N 3 1 227.396 1.709 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC001205263553 979800807 /nfs/dbraw/zinc/80/08/07/979800807.db2.gz ABMFFQGFYXLRAJ-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC001205263553 979800812 /nfs/dbraw/zinc/80/08/12/979800812.db2.gz ABMFFQGFYXLRAJ-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(CO)o2)CC1 ZINC001205274077 979839425 /nfs/dbraw/zinc/83/94/25/979839425.db2.gz TVHXUFDUTZZROX-ZDUSSCGKSA-N 2 1 238.331 1.475 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(CO)o2)CC1 ZINC001205274077 979839431 /nfs/dbraw/zinc/83/94/31/979839431.db2.gz TVHXUFDUTZZROX-ZDUSSCGKSA-N 2 1 238.331 1.475 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccnc2N)CC1 ZINC001205280796 979881972 /nfs/dbraw/zinc/88/19/72/979881972.db2.gz JCMXPLFGGIGBCP-ZDUSSCGKSA-N 2 1 234.347 1.367 20 0 BDADMP CCN1CCCC[C@@H]1C(=O)OCCN1CCC1 ZINC001343871480 980261994 /nfs/dbraw/zinc/26/19/94/980261994.db2.gz XTHQXJFURJLAFX-GFCCVEGCSA-N 2 1 240.347 1.110 20 0 BDADMP C[NH2+][C@H](C)CCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001345481469 980619011 /nfs/dbraw/zinc/61/90/11/980619011.db2.gz CFIUKDADVANOFW-DMDPSCGWSA-N 2 1 225.380 1.057 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001205537920 980907501 /nfs/dbraw/zinc/90/75/01/980907501.db2.gz KPNXBFXHZOUXLF-QWHCGFSZSA-N 3 1 243.370 1.139 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001205545986 980946473 /nfs/dbraw/zinc/94/64/73/980946473.db2.gz NYTMOILJYGJOSH-VXGBXAGGSA-N 2 1 230.327 1.318 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC001205545663 980947177 /nfs/dbraw/zinc/94/71/77/980947177.db2.gz LJYUGRUFHMJISR-LLVKDONJSA-N 2 1 226.299 1.063 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC001205545663 980947187 /nfs/dbraw/zinc/94/71/87/980947187.db2.gz LJYUGRUFHMJISR-LLVKDONJSA-N 2 1 226.299 1.063 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c[nH]cn2)CC1 ZINC001205545663 980947189 /nfs/dbraw/zinc/94/71/89/980947189.db2.gz LJYUGRUFHMJISR-LLVKDONJSA-N 2 1 226.299 1.063 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545621 980947810 /nfs/dbraw/zinc/94/78/10/980947810.db2.gz KRVOOFPWKOHQPQ-UTUOFQBUSA-N 2 1 214.328 1.795 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)C(C)(C)CO1 ZINC001347098687 980970774 /nfs/dbraw/zinc/97/07/74/980970774.db2.gz REOPKULGQMLSOP-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)[nH]n1 ZINC001347178060 981004797 /nfs/dbraw/zinc/00/47/97/981004797.db2.gz FFIQHEUBWDMDID-GFCCVEGCSA-N 2 1 236.363 1.538 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)[nH]n1 ZINC001347178060 981004808 /nfs/dbraw/zinc/00/48/08/981004808.db2.gz FFIQHEUBWDMDID-GFCCVEGCSA-N 2 1 236.363 1.538 20 0 BDADMP COC(=O)CCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205605038 981183926 /nfs/dbraw/zinc/18/39/26/981183926.db2.gz YPPCKQKBUYDCJQ-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP CC[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1 ZINC001347834246 981189686 /nfs/dbraw/zinc/18/96/86/981189686.db2.gz VHLXPOWTDRMQKJ-GFCCVEGCSA-N 2 1 235.331 1.026 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001348840501 981455507 /nfs/dbraw/zinc/45/55/07/981455507.db2.gz MJNOLYYOUXIHJZ-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP OC1(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC001580880496 981669591 /nfs/dbraw/zinc/66/95/91/981669591.db2.gz QGVXDOQEIGYUOQ-OLZOCXBDSA-N 2 1 238.375 1.223 20 0 BDADMP O[C@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580880827 981680370 /nfs/dbraw/zinc/68/03/70/981680370.db2.gz YVXLSLRXKKHWCA-MQYQWHSLSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802561 982537571 /nfs/dbraw/zinc/53/75/71/982537571.db2.gz BZPKBGXNRONPKF-CMPLNLGQSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802561 982537574 /nfs/dbraw/zinc/53/75/74/982537574.db2.gz BZPKBGXNRONPKF-CMPLNLGQSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802561 982537577 /nfs/dbraw/zinc/53/75/77/982537577.db2.gz BZPKBGXNRONPKF-CMPLNLGQSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802561 982537579 /nfs/dbraw/zinc/53/75/79/982537579.db2.gz BZPKBGXNRONPKF-CMPLNLGQSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCn2cccn2)C1 ZINC001205804378 982566174 /nfs/dbraw/zinc/56/61/74/982566174.db2.gz NLUXJICKTWBPIS-CHWSQXEVSA-N 2 1 236.363 1.332 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCn2cccn2)C1 ZINC001205804378 982566181 /nfs/dbraw/zinc/56/61/81/982566181.db2.gz NLUXJICKTWBPIS-CHWSQXEVSA-N 2 1 236.363 1.332 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](CCCn2cccn2)C1 ZINC001205804579 982566880 /nfs/dbraw/zinc/56/68/80/982566880.db2.gz NLUXJICKTWBPIS-STQMWFEESA-N 2 1 236.363 1.332 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](CCCn2cccn2)C1 ZINC001205804579 982566884 /nfs/dbraw/zinc/56/68/84/982566884.db2.gz NLUXJICKTWBPIS-STQMWFEESA-N 2 1 236.363 1.332 20 0 BDADMP C[N@H+]1CCC=C(c2ccc3c(n2)CC[NH2+]C3)C1 ZINC001241566419 982810573 /nfs/dbraw/zinc/81/05/73/982810573.db2.gz VXQJDDPBERTAHF-UHFFFAOYSA-N 2 1 229.327 1.446 20 0 BDADMP CC[N@H+](C)[C@H]1CCN(CCn2cc[nH+]c2C)C1 ZINC001198880778 982873859 /nfs/dbraw/zinc/87/38/59/982873859.db2.gz AWNWLERPAGUIJF-ZDUSSCGKSA-N 2 1 236.363 1.218 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(CCn2cc[nH+]c2C)C1 ZINC001198880778 982873864 /nfs/dbraw/zinc/87/38/64/982873864.db2.gz AWNWLERPAGUIJF-ZDUSSCGKSA-N 2 1 236.363 1.218 20 0 BDADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccncc3C)C[C@H]2C1 ZINC001205874026 983027036 /nfs/dbraw/zinc/02/70/36/983027036.db2.gz XZXGDJOVZRKDIJ-HUUCEWRRSA-N 2 1 245.370 1.774 20 0 BDADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccncc3C)C[C@@H]2C1 ZINC001205874000 983027513 /nfs/dbraw/zinc/02/75/13/983027513.db2.gz XZXGDJOVZRKDIJ-GJZGRUSLSA-N 2 1 245.370 1.774 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCCC[NH3+] ZINC001205902559 983114514 /nfs/dbraw/zinc/11/45/14/983114514.db2.gz KGVUQDOJUFESRE-STQMWFEESA-N 3 1 227.396 1.565 20 0 BDADMP CC[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001201576509 983342917 /nfs/dbraw/zinc/34/29/17/983342917.db2.gz ZDUQWHXJTJUGIY-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201576509 983342927 /nfs/dbraw/zinc/34/29/27/983342927.db2.gz ZDUQWHXJTJUGIY-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201576509 983342936 /nfs/dbraw/zinc/34/29/36/983342936.db2.gz ZDUQWHXJTJUGIY-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCOC1 ZINC001202528881 983870476 /nfs/dbraw/zinc/87/04/76/983870476.db2.gz HJNNANRIHIVAMW-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP C[C@H]1Cc2n[nH]cc2C[N@H+](CC2CC[NH2+]CC2)C1 ZINC001573653855 984037350 /nfs/dbraw/zinc/03/73/50/984037350.db2.gz DNLFCTBVDOKIMM-NSHDSACASA-N 2 1 248.374 1.404 20 0 BDADMP C[NH+]1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000379950902 984041543 /nfs/dbraw/zinc/04/15/43/984041543.db2.gz SYDCSOIDAFYPHV-UHFFFAOYSA-N 2 1 218.291 1.714 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC001575317792 984125338 /nfs/dbraw/zinc/12/53/38/984125338.db2.gz JKNHDGKAEVHOSA-SNVBAGLBSA-N 2 1 212.337 1.415 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001576682007 984181459 /nfs/dbraw/zinc/18/14/59/984181459.db2.gz RSJCQWXLVQOZSH-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CC(CC(=O)OC)C1 ZINC001578242030 984208511 /nfs/dbraw/zinc/20/85/11/984208511.db2.gz XREZEGIKGDJINW-HCWSGVFWSA-N 2 1 240.347 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000691400515 984315291 /nfs/dbraw/zinc/31/52/91/984315291.db2.gz RVROMTDZAWNELW-BQUFFADESA-N 2 1 224.348 1.284 20 0 BDADMP O[C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC001580884584 984618371 /nfs/dbraw/zinc/61/83/71/984618371.db2.gz IBMXVJIUDUDZDT-YIYPIFLZSA-N 2 1 238.375 1.079 20 0 BDADMP O[C@H]1CCCC[C@H]1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC001580885594 984619543 /nfs/dbraw/zinc/61/95/43/984619543.db2.gz GGQXIBPKICUHGB-AVGNSLFASA-N 2 1 226.364 1.269 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(CC[NH3+])C1 ZINC001577697687 984636658 /nfs/dbraw/zinc/63/66/58/984636658.db2.gz PZOLJNRFVZIOCL-PNESKVBLSA-N 3 1 227.396 1.434 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC001577687898 984637980 /nfs/dbraw/zinc/63/79/80/984637980.db2.gz UZAQQMQNWUCZBT-VXGBXAGGSA-N 3 1 227.396 1.304 20 0 BDADMP CC[N@@H+](CCC(=O)NC)CC(CC)(CC)C[NH3+] ZINC001577711218 984648018 /nfs/dbraw/zinc/64/80/18/984648018.db2.gz YEFLDDWIEMFIPJ-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000380153747 984726705 /nfs/dbraw/zinc/72/67/05/984726705.db2.gz JCZANIQBYKQHIO-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(CN[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC001577763589 984730354 /nfs/dbraw/zinc/73/03/54/984730354.db2.gz FQSRSVMNNQBGOH-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP CCOC(=O)[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001577922264 984820837 /nfs/dbraw/zinc/82/08/37/984820837.db2.gz VVKTXWFFYJXENN-MVWJERBFSA-N 2 1 240.347 1.045 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]cn1)CC2 ZINC001276203134 984826692 /nfs/dbraw/zinc/82/66/92/984826692.db2.gz LOOQQQQIPPDDPE-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cnc[nH]1)CC2 ZINC001276203134 984826693 /nfs/dbraw/zinc/82/66/93/984826693.db2.gz LOOQQQQIPPDDPE-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cnc[nH]1)CC2 ZINC001276203134 984826695 /nfs/dbraw/zinc/82/66/95/984826695.db2.gz LOOQQQQIPPDDPE-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP CCOC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001578025975 984834529 /nfs/dbraw/zinc/83/45/29/984834529.db2.gz NUOGLIFHDADGQR-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP Cn1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)n1 ZINC001276274075 984839363 /nfs/dbraw/zinc/83/93/63/984839363.db2.gz RRBPPXRMPCNZRZ-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])CC)[C@]12CCCO2 ZINC001578148871 984856349 /nfs/dbraw/zinc/85/63/49/984856349.db2.gz MJPZOSONYWKOMF-UMSGYPCISA-N 2 1 242.363 1.040 20 0 BDADMP CCO[C@@H]1CCCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC001578149039 984857838 /nfs/dbraw/zinc/85/78/38/984857838.db2.gz SEEBHGWDIZCULS-CEUNDQEZSA-N 2 1 238.375 1.676 20 0 BDADMP CC[C@@H](O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC001578226180 984877190 /nfs/dbraw/zinc/87/71/90/984877190.db2.gz WFIIEEJOEHFGLW-NOOOWODRSA-N 2 1 214.353 1.205 20 0 BDADMP CC[C@@H](O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC001578226180 984877193 /nfs/dbraw/zinc/87/71/93/984877193.db2.gz WFIIEEJOEHFGLW-NOOOWODRSA-N 2 1 214.353 1.205 20 0 BDADMP CCC[C@@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001257309333 984884467 /nfs/dbraw/zinc/88/44/67/984884467.db2.gz JEBMPVCQKIKWKC-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC001578241898 984893843 /nfs/dbraw/zinc/89/38/43/984893843.db2.gz RDAVTCMQVLUVOI-JLIMGVALSA-N 2 1 218.291 1.760 20 0 BDADMP CCc1ccc2c(c1)CC[N@H+](C[C@H](O)CC[NH3+])C2 ZINC001578263714 984914683 /nfs/dbraw/zinc/91/46/83/984914683.db2.gz UANCUJZWJBKDFZ-OAHLLOKOSA-N 2 1 248.370 1.317 20 0 BDADMP CCn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC001578346408 984987540 /nfs/dbraw/zinc/98/75/40/984987540.db2.gz WKBPFPZBZIOPSJ-ZYHUDNBSSA-N 2 1 236.363 1.238 20 0 BDADMP C[N@@H+](C[C@]1(C)CCCCO1)C1CC([NH3+])C1 ZINC001578445761 985077569 /nfs/dbraw/zinc/07/75/69/985077569.db2.gz VNXCBHJFIFMTIJ-MCIGGMRASA-N 2 1 212.337 1.367 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@@H]1CCCC[C@H]1O ZINC001578451114 985085048 /nfs/dbraw/zinc/08/50/48/985085048.db2.gz DWTXJLHRIRZVDB-IGQOVBAYSA-N 2 1 240.391 1.597 20 0 BDADMP C[N@H+](C[C@H]1CCC(C)(C)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450639 985085421 /nfs/dbraw/zinc/08/54/21/985085421.db2.gz UWVITMQWJSFOTK-WYUUTHIRSA-N 2 1 224.348 1.094 20 0 BDADMP C[N@@H+](C[C@H]1CCC(C)(C)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450639 985085436 /nfs/dbraw/zinc/08/54/36/985085436.db2.gz UWVITMQWJSFOTK-WYUUTHIRSA-N 2 1 224.348 1.094 20 0 BDADMP C[N@H+](CCc1cccc(F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578478312 985111512 /nfs/dbraw/zinc/11/15/12/985111512.db2.gz CFYQHOMZRGVFMX-WDNDVIMCSA-N 2 1 234.318 1.518 20 0 BDADMP C[N@@H+](CCc1cccc(F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578478312 985111517 /nfs/dbraw/zinc/11/15/17/985111517.db2.gz CFYQHOMZRGVFMX-WDNDVIMCSA-N 2 1 234.318 1.518 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(CC[NH3+])C3)[C@H]2C1 ZINC001578520894 985139563 /nfs/dbraw/zinc/13/95/63/985139563.db2.gz IUETXAKSZHUIJN-NMHYENAYSA-N 3 1 237.391 1.044 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])C3(C)C)[C@H]2C1 ZINC001578521175 985142543 /nfs/dbraw/zinc/14/25/43/985142543.db2.gz MJYGAVWFDYMWRC-JZRPKSSGSA-N 2 1 237.391 1.042 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001578524474 985152455 /nfs/dbraw/zinc/15/24/55/985152455.db2.gz XCNWFGHCTRXIDI-KBPBESRZSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(CN2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001578524474 985152463 /nfs/dbraw/zinc/15/24/63/985152463.db2.gz XCNWFGHCTRXIDI-KBPBESRZSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CCC[C@]3(N)C2)CC1 ZINC001578524474 985152466 /nfs/dbraw/zinc/15/24/66/985152466.db2.gz XCNWFGHCTRXIDI-KBPBESRZSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CCC[C@]3(N)C2)CC1 ZINC001578524474 985152480 /nfs/dbraw/zinc/15/24/80/985152480.db2.gz XCNWFGHCTRXIDI-KBPBESRZSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC001578638777 985244955 /nfs/dbraw/zinc/24/49/55/985244955.db2.gz VKIRIYXBGKTSKG-WDEREUQCSA-N 2 1 237.347 1.219 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cc1ccnn1C ZINC001578687198 985287941 /nfs/dbraw/zinc/28/79/41/985287941.db2.gz RIGJKUDSDGLDRD-ZDUSSCGKSA-N 2 1 236.363 1.037 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCC(=O)NCC(C)C ZINC001578687222 985298720 /nfs/dbraw/zinc/29/87/20/985298720.db2.gz BWRYWMUYTQFPMQ-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP COC(=O)[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC001578790513 985359295 /nfs/dbraw/zinc/35/92/95/985359295.db2.gz YDFVBOIREWDCPM-JQWIXIFHSA-N 2 1 240.347 1.012 20 0 BDADMP COC(=O)CC(C)(C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001578801701 985366543 /nfs/dbraw/zinc/36/65/43/985366543.db2.gz NEGQFGQISZVUHO-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP CO[C@](C)(C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC001578898406 985477818 /nfs/dbraw/zinc/47/78/18/985477818.db2.gz YFOUUXGSGKRWGU-MBNYWOFBSA-N 2 1 238.375 1.343 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)CC(C)C ZINC001578913078 985512467 /nfs/dbraw/zinc/51/24/67/985512467.db2.gz RAOKRSLZZGLNER-RYUDHWBXSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1COC[C@@H]1C ZINC000688050059 985535367 /nfs/dbraw/zinc/53/53/67/985535367.db2.gz SHDOLNRCAHHIEQ-NWDGAFQWSA-N 2 1 214.353 1.341 20 0 BDADMP COC1(CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578927368 985537719 /nfs/dbraw/zinc/53/77/19/985537719.db2.gz WLGKMBLFPBHXOW-OCCSQVGLSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCc2cn[nH]c2)CC[N@@H+]1C ZINC001459617347 985556363 /nfs/dbraw/zinc/55/63/63/985556363.db2.gz XBNNZRHVKKYSLG-AAEUAGOBSA-N 2 1 236.363 1.367 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCc2cn[nH]c2)CC[N@H+]1C ZINC001459617347 985556374 /nfs/dbraw/zinc/55/63/74/985556374.db2.gz XBNNZRHVKKYSLG-AAEUAGOBSA-N 2 1 236.363 1.367 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCc2cn[nH]c2)CC[NH+]1C ZINC001459617347 985556392 /nfs/dbraw/zinc/55/63/92/985556392.db2.gz XBNNZRHVKKYSLG-AAEUAGOBSA-N 2 1 236.363 1.367 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2cn[nH]c2)CC[NH+]1C ZINC001459617347 985556413 /nfs/dbraw/zinc/55/64/13/985556413.db2.gz XBNNZRHVKKYSLG-AAEUAGOBSA-N 2 1 236.363 1.367 20 0 BDADMP CC[C@H](CC(F)F)C[N@H+](C)CC[NH2+]C ZINC000688750508 985721361 /nfs/dbraw/zinc/72/13/61/985721361.db2.gz MSGMKXULWQQYSY-SECBINFHSA-N 2 1 208.296 1.819 20 0 BDADMP CC[C@H](CC(F)F)C[N@@H+](C)CC[NH2+]C ZINC000688750508 985721387 /nfs/dbraw/zinc/72/13/87/985721387.db2.gz MSGMKXULWQQYSY-SECBINFHSA-N 2 1 208.296 1.819 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001579113983 985744611 /nfs/dbraw/zinc/74/46/11/985744611.db2.gz CTVJBKSUGOTLSL-IRCOFANPSA-N 2 1 212.337 1.284 20 0 BDADMP CS[C@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC001579366685 985860376 /nfs/dbraw/zinc/86/03/76/985860376.db2.gz AJDIKKQTPMJJHT-RGOKHQFPSA-N 2 1 200.351 1.078 20 0 BDADMP C[C@H]([C@H](C)O)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460695073 985875310 /nfs/dbraw/zinc/87/53/10/985875310.db2.gz YHTUKHQGMCWWLS-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1CO ZINC001579423280 985902715 /nfs/dbraw/zinc/90/27/15/985902715.db2.gz YJJAMQPROWHSLP-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H](CC1CC1)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001258468135 985926394 /nfs/dbraw/zinc/92/63/94/985926394.db2.gz SVXUUBDDUWPJSR-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CC[C@H]1CCCO1)C2 ZINC001579473823 985982043 /nfs/dbraw/zinc/98/20/43/985982043.db2.gz ONVNHZIVFDLGBX-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001579476101 985990162 /nfs/dbraw/zinc/99/01/62/985990162.db2.gz NWJOQZAZSNGWFM-XNWIYYODSA-N 2 1 228.336 1.044 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC001461224016 986027625 /nfs/dbraw/zinc/02/76/25/986027625.db2.gz SFAGQCVQAOOIAY-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC001579499626 986029364 /nfs/dbraw/zinc/02/93/64/986029364.db2.gz ZDZBJCQGKAGLHE-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP Cc1c[nH]c(C[N@H+](C)CCCCCC[NH3+])n1 ZINC001579546873 986080196 /nfs/dbraw/zinc/08/01/96/986080196.db2.gz HEZNMNFWVYYSPS-UHFFFAOYSA-N 2 1 224.352 1.669 20 0 BDADMP Cc1c[nH]c(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC001579546873 986080210 /nfs/dbraw/zinc/08/02/10/986080210.db2.gz HEZNMNFWVYYSPS-UHFFFAOYSA-N 2 1 224.352 1.669 20 0 BDADMP Cc1cc(C)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2O)c1 ZINC001579581444 986094151 /nfs/dbraw/zinc/09/41/51/986094151.db2.gz SFFUJYCWXWGFLJ-UONOGXRCSA-N 2 1 234.343 1.116 20 0 BDADMP Cc1cc(C[NH2+]C2(CO)CC[NH2+]CC2)cs1 ZINC001579601637 986130444 /nfs/dbraw/zinc/13/04/44/986130444.db2.gz YGLIINXIXBWQJS-UHFFFAOYSA-N 2 1 240.372 1.261 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC001461832165 986197032 /nfs/dbraw/zinc/19/70/32/986197032.db2.gz UBEXWJHICKHHPT-MJBXVCDLSA-N 2 1 231.343 1.511 20 0 BDADMP Cc1[nH]ncc1C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001579839783 986268263 /nfs/dbraw/zinc/26/82/63/986268263.db2.gz RFLARQMMEFPCNB-NSHDSACASA-N 2 1 222.336 1.197 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)[nH]1 ZINC001579849502 986272749 /nfs/dbraw/zinc/27/27/49/986272749.db2.gz WVGVXGKDHVHBNY-NEPJUHHUSA-N 2 1 234.347 1.068 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)[nH]1 ZINC001579849502 986272763 /nfs/dbraw/zinc/27/27/63/986272763.db2.gz WVGVXGKDHVHBNY-NEPJUHHUSA-N 2 1 234.347 1.068 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCCO2)C1 ZINC001462084309 986280427 /nfs/dbraw/zinc/28/04/27/986280427.db2.gz ZYIIXTPUGCUMDK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]CCc1ccc(F)cc1F ZINC000162069811 986307210 /nfs/dbraw/zinc/30/72/10/986307210.db2.gz NHXKOHIXXQFCIQ-QMMMGPOBSA-N 2 1 214.259 1.444 20 0 BDADMP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579986147 986389895 /nfs/dbraw/zinc/38/98/95/986389895.db2.gz SWSUMXJTEWNXOV-QJPTWQEYSA-N 2 1 249.362 1.079 20 0 BDADMP Cn1nccc1C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC001580013057 986411512 /nfs/dbraw/zinc/41/15/12/986411512.db2.gz KLNPSUCCXZFVCZ-JSGCOSHPSA-N 2 1 248.374 1.037 20 0 BDADMP FC(F)(F)CC1C[NH+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001580018771 986418548 /nfs/dbraw/zinc/41/85/48/986418548.db2.gz MLHCZKBJAHIWEA-SECBINFHSA-N 2 1 236.281 1.870 20 0 BDADMP FC1(F)[C@@H]2CC[N@@H+](CCC3C[NH2+]C3)C[C@@H]21 ZINC001580023828 986423267 /nfs/dbraw/zinc/42/32/67/986423267.db2.gz HLHBBXFRAYVGQL-ZJUUUORDSA-N 2 1 216.275 1.183 20 0 BDADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)[nH]n1 ZINC001261298113 986510632 /nfs/dbraw/zinc/51/06/32/986510632.db2.gz ADMYRQRAWKNCMX-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@@H](CCO)C1CC1)CC(F)(F)F ZINC001580133436 986600204 /nfs/dbraw/zinc/60/02/04/986600204.db2.gz YRNMHCFBCKNUEU-BDAKNGLRSA-N 2 1 240.269 1.017 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCCC[C@@H]1O)C2 ZINC001580170795 986646368 /nfs/dbraw/zinc/64/63/68/986646368.db2.gz ZKSWUZAOFJKIDH-ZSLBOAEBSA-N 2 1 238.375 1.349 20 0 BDADMP COC[C@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254517551 986653816 /nfs/dbraw/zinc/65/38/16/986653816.db2.gz VFQREGCBRDOVPO-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254517551 986653820 /nfs/dbraw/zinc/65/38/20/986653820.db2.gz VFQREGCBRDOVPO-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254517551 986653827 /nfs/dbraw/zinc/65/38/27/986653827.db2.gz VFQREGCBRDOVPO-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCC[NH+](CCOC)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515729 986665545 /nfs/dbraw/zinc/66/55/45/986665545.db2.gz BPEMUWVOODDPLT-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP CC(=O)C1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525077 986670113 /nfs/dbraw/zinc/67/01/13/986670113.db2.gz FXSPFQWMDNXQPY-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)C1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525077 986670125 /nfs/dbraw/zinc/67/01/25/986670125.db2.gz FXSPFQWMDNXQPY-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@H](c3ccncn3)C2)CC1 ZINC001580243405 986694249 /nfs/dbraw/zinc/69/42/49/986694249.db2.gz FPCYYJLDNCYUOY-LBPRGKRZSA-N 2 1 246.358 1.395 20 0 BDADMP NC(=O)c1ccc(C[NH2+]C2(C[NH3+])CCCC2)cc1 ZINC001580245414 986695944 /nfs/dbraw/zinc/69/59/44/986695944.db2.gz QWJKGBVTKBDFNR-UHFFFAOYSA-N 2 1 247.342 1.147 20 0 BDADMP [NH3+]C[C@@H]1CCCC12CC[NH+](Cc1c[nH]nn1)CC2 ZINC001580261203 986715948 /nfs/dbraw/zinc/71/59/48/986715948.db2.gz XOFBTOMOEBUUQZ-NSHDSACASA-N 2 1 249.362 1.146 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC001580372005 986800528 /nfs/dbraw/zinc/80/05/28/986800528.db2.gz KYSZBESWSZZMBX-CHWSQXEVSA-N 2 1 225.380 1.332 20 0 BDADMP COc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC000383320449 986802890 /nfs/dbraw/zinc/80/28/90/986802890.db2.gz OVDUCDUFNWZBGU-NSHDSACASA-N 2 1 235.331 1.403 20 0 BDADMP COc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC000383320449 986802891 /nfs/dbraw/zinc/80/28/91/986802891.db2.gz OVDUCDUFNWZBGU-NSHDSACASA-N 2 1 235.331 1.403 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@](O)(C3CC3)C2)C1 ZINC001580387260 986811656 /nfs/dbraw/zinc/81/16/56/986811656.db2.gz VBGGQDUIDSOQHP-YUTCNCBUSA-N 2 1 238.375 1.351 20 0 BDADMP CC(C)(C)[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC000700378519 986857026 /nfs/dbraw/zinc/85/70/26/986857026.db2.gz QJTBFQVFLMHEKG-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1C[C@@H]2CCCN([C@H]3CCC[NH+](C)C3)[C@@H]2C1 ZINC001255490818 986986650 /nfs/dbraw/zinc/98/66/50/986986650.db2.gz YIGHTGYVKSIBKE-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@@H]2CCCN([C@H]3CCC[N@H+](C)C3)[C@@H]2C1 ZINC001255490818 986986666 /nfs/dbraw/zinc/98/66/66/986986666.db2.gz YIGHTGYVKSIBKE-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@@H]2CCCN([C@H]3CCC[N@@H+](C)C3)[C@@H]2C1 ZINC001255490818 986986678 /nfs/dbraw/zinc/98/66/78/986986678.db2.gz YIGHTGYVKSIBKE-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001245972939 987241696 /nfs/dbraw/zinc/24/16/96/987241696.db2.gz FUTOZSIQUVUECE-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP CCn1ccnc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000692472303 987290331 /nfs/dbraw/zinc/29/03/31/987290331.db2.gz DBKOGMPEFKKXKQ-LLVKDONJSA-N 2 1 222.336 1.074 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)O)CC[C@@H]1C[NH3+] ZINC001246024153 987299710 /nfs/dbraw/zinc/29/97/10/987299710.db2.gz QRGMLDSVUXOEHB-GHMZBOCLSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@H](O)C(C)(C)C ZINC001246016545 987303981 /nfs/dbraw/zinc/30/39/81/987303981.db2.gz LYBLKFTUJHXQAR-DCAQKATOSA-N 2 1 214.353 1.205 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@H](O)C(C)(C)C ZINC001246016545 987303985 /nfs/dbraw/zinc/30/39/85/987303985.db2.gz LYBLKFTUJHXQAR-DCAQKATOSA-N 2 1 214.353 1.205 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020797 987305687 /nfs/dbraw/zinc/30/56/87/987305687.db2.gz MEYMLBJDSSUWOV-AAEUAGOBSA-N 2 1 246.370 1.546 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246020608 987307944 /nfs/dbraw/zinc/30/79/44/987307944.db2.gz IWHJAHBYATZLGE-UONOGXRCSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC001246023361 987312642 /nfs/dbraw/zinc/31/26/42/987312642.db2.gz POFYMBKXUNEIED-WOPDTQHZSA-N 2 1 228.380 1.453 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC001246023361 987312651 /nfs/dbraw/zinc/31/26/51/987312651.db2.gz POFYMBKXUNEIED-WOPDTQHZSA-N 2 1 228.380 1.453 20 0 BDADMP Cn1cncc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693724978 987314952 /nfs/dbraw/zinc/31/49/52/987314952.db2.gz UPBSIYOJCYQMIR-FRRDWIJNSA-N 2 1 248.374 1.286 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246023260 987314982 /nfs/dbraw/zinc/31/49/82/987314982.db2.gz PDIBKHWQPVCSSL-RDBSUJKOSA-N 2 1 242.407 1.844 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246023080 987315018 /nfs/dbraw/zinc/31/50/18/987315018.db2.gz RZTWDFNUDABOGW-DGCLKSJQSA-N 2 1 228.380 1.597 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246030159 987331878 /nfs/dbraw/zinc/33/18/78/987331878.db2.gz FBCQEQSHVWNTBU-VXGBXAGGSA-N 2 1 214.353 1.208 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246031535 987331966 /nfs/dbraw/zinc/33/19/66/987331966.db2.gz QWSZTPBRLQGQTR-OLZOCXBDSA-N 2 1 226.364 1.365 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246031479 987333679 /nfs/dbraw/zinc/33/36/79/987333679.db2.gz QBHWLCCBOCGZGW-RWMBFGLXSA-N 2 1 228.380 1.310 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000697017507 987347349 /nfs/dbraw/zinc/34/73/49/987347349.db2.gz UIDUYTJNTXZTMP-UPJWGTAASA-N 2 1 222.376 1.964 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246060953 987348978 /nfs/dbraw/zinc/34/89/78/987348978.db2.gz RZBFMBGLYYDTEQ-IHRRRGAJSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246078327 987369628 /nfs/dbraw/zinc/36/96/28/987369628.db2.gz AHRGTXPTCKMFOK-UMSGYPCISA-N 3 1 239.407 1.493 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246082122 987378874 /nfs/dbraw/zinc/37/88/74/987378874.db2.gz UDLKODJZGCHWEX-SCRDCRAPSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC001246084675 987379722 /nfs/dbraw/zinc/37/97/22/987379722.db2.gz LSBJOBJPPKAVQR-YHQUGGNUSA-N 2 1 237.391 1.342 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246084347 987382106 /nfs/dbraw/zinc/38/21/06/987382106.db2.gz YOHRQOWEGCPIGN-YPMHNXCESA-N 2 1 219.332 1.620 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)C[NH2+]1 ZINC001246089812 987392927 /nfs/dbraw/zinc/39/29/27/987392927.db2.gz DWWPRRODVKYHEJ-UPJWGTAASA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096929 987409341 /nfs/dbraw/zinc/40/93/41/987409341.db2.gz NQTLJYBKYBTLJR-XHJNMGKDSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246104957 987434961 /nfs/dbraw/zinc/43/49/61/987434961.db2.gz AGYOFFQQOXFSPJ-RWMBFGLXSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC3(C[NH2+]C3)C2)NC1 ZINC001246107328 987438612 /nfs/dbraw/zinc/43/86/12/987438612.db2.gz FWLDQVQUIJPMEV-FRRDWIJNSA-N 2 1 237.391 1.106 20 0 BDADMP c1cc2c(cc1CNC1CC[NH2+]CC1)CC[NH2+]C2 ZINC001246110730 987446383 /nfs/dbraw/zinc/44/63/83/987446383.db2.gz UZGFJXJHTNFRNF-UHFFFAOYSA-N 2 1 245.370 1.174 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246112734 987449912 /nfs/dbraw/zinc/44/99/12/987449912.db2.gz MQPCDQQAMWDHOQ-ITGUQSILSA-N 3 1 227.396 1.495 20 0 BDADMP O=C1C[C@H]2CC([NH2+][C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC001246120612 987467613 /nfs/dbraw/zinc/46/76/13/987467613.db2.gz NTJNTEJITZNTHG-MXWKQRLJSA-N 2 1 222.332 1.086 20 0 BDADMP CSCC[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127122 987470975 /nfs/dbraw/zinc/47/09/75/987470975.db2.gz ANZOQZUQKYTKQC-UWVGGRQHSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@@H]1C ZINC001246132023 987481218 /nfs/dbraw/zinc/48/12/18/987481218.db2.gz CGOPSMMAUQDLIE-GSZZWUTPSA-N 2 1 238.375 1.388 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@@H](C)C1 ZINC001246132450 987483992 /nfs/dbraw/zinc/48/39/92/987483992.db2.gz CXTLJQLLVBSWMO-SAUGFPQOSA-N 2 1 238.375 1.388 20 0 BDADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246134707 987488011 /nfs/dbraw/zinc/48/80/11/987488011.db2.gz RVPGHKIFZWUTEX-QWHCGFSZSA-N 2 1 240.391 1.779 20 0 BDADMP CCCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135967 987493269 /nfs/dbraw/zinc/49/32/69/987493269.db2.gz TZZUTDBRKIKNPK-AAVRWANBSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246137612 987493345 /nfs/dbraw/zinc/49/33/45/987493345.db2.gz JMKMVQNOKFLQLJ-FRRDWIJNSA-N 3 1 237.391 1.249 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246136886 987494558 /nfs/dbraw/zinc/49/45/58/987494558.db2.gz YNEJVTXHGBRWDQ-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2C[NH2+]CC23CC3)C[C@@H](C)O1 ZINC001246136923 987495688 /nfs/dbraw/zinc/49/56/88/987495688.db2.gz YRPYXBKXWFSDPS-CKYFFXLPSA-N 2 1 224.348 1.284 20 0 BDADMP CC[NH+](CC)CCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246162359 987515981 /nfs/dbraw/zinc/51/59/81/987515981.db2.gz PBYAIOSJCHAUFY-ZIAGYGMSSA-N 3 1 241.423 1.839 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246169648 987530850 /nfs/dbraw/zinc/53/08/50/987530850.db2.gz IUCSYBTVUNOHHK-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842437 987578376 /nfs/dbraw/zinc/57/83/76/987578376.db2.gz PYASNVDQBLEHQU-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842437 987578386 /nfs/dbraw/zinc/57/83/86/987578386.db2.gz PYASNVDQBLEHQU-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842437 987578395 /nfs/dbraw/zinc/57/83/95/987578395.db2.gz PYASNVDQBLEHQU-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246201472 987598625 /nfs/dbraw/zinc/59/86/25/987598625.db2.gz HDLNXFHUPQUUAD-MQYQWHSLSA-N 3 1 239.407 1.624 20 0 BDADMP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2C)[nH]n1 ZINC001116487767 987600570 /nfs/dbraw/zinc/60/05/70/987600570.db2.gz HCAANXHWGHEHGP-UHFFFAOYSA-N 2 1 247.346 1.793 20 0 BDADMP [NH3+][C@H]1CC[C@@H](CC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246201296 987600614 /nfs/dbraw/zinc/60/06/14/987600614.db2.gz GEQRHJMDXIGSBY-XQQFMLRXSA-N 3 1 225.380 1.236 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC001246206436 987601830 /nfs/dbraw/zinc/60/18/30/987601830.db2.gz OZIIYFKESFVPLC-KSTCHIGDSA-N 3 1 237.391 1.471 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC001246206436 987601833 /nfs/dbraw/zinc/60/18/33/987601833.db2.gz OZIIYFKESFVPLC-KSTCHIGDSA-N 3 1 237.391 1.471 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC001246206436 987601837 /nfs/dbraw/zinc/60/18/37/987601837.db2.gz OZIIYFKESFVPLC-KSTCHIGDSA-N 3 1 237.391 1.471 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206172 987603301 /nfs/dbraw/zinc/60/33/01/987603301.db2.gz XXFJKOCBXUDCGJ-FDYHWXHSSA-N 3 1 225.380 1.377 20 0 BDADMP C[C@H](C[NH2+]C1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001473931072 987619427 /nfs/dbraw/zinc/61/94/27/987619427.db2.gz DIXNADFXDADRFA-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](C[NH2+]C1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001473931072 987619432 /nfs/dbraw/zinc/61/94/32/987619432.db2.gz DIXNADFXDADRFA-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](CC)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001116531577 987619652 /nfs/dbraw/zinc/61/96/52/987619652.db2.gz BTGUAEPNURENAU-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246223217 987620556 /nfs/dbraw/zinc/62/05/56/987620556.db2.gz QLDQYLFDGAMJJE-SKDRFNHKSA-N 2 1 220.320 1.015 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CC[NH2+]1 ZINC001246228062 987626069 /nfs/dbraw/zinc/62/60/69/987626069.db2.gz MLMOBQUBORMILM-NWANDNLSSA-N 2 1 248.370 1.840 20 0 BDADMP c1cnc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246233454 987633084 /nfs/dbraw/zinc/63/30/84/987633084.db2.gz CTRMUWSLPQAMKR-QNMSZWNNSA-N 2 1 243.354 1.942 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCc2cccnc2)C[NH2+]1 ZINC001246240149 987638358 /nfs/dbraw/zinc/63/83/58/987638358.db2.gz PNPOWXLHMOXDMU-GXTWGEPZSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246238728 987639316 /nfs/dbraw/zinc/63/93/16/987639316.db2.gz ZGIIDMFQWOQJOS-WTIISPKJSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246244239 987645856 /nfs/dbraw/zinc/64/58/56/987645856.db2.gz LGRCLCQUOUMUNZ-JHJVBQTASA-N 3 1 225.380 1.249 20 0 BDADMP CC(C)(C[NH3+])C[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246250759 987649414 /nfs/dbraw/zinc/64/94/14/987649414.db2.gz RNWHBZAYPMYZJX-RYUDHWBXSA-N 3 1 241.423 1.728 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC001246254624 987653080 /nfs/dbraw/zinc/65/30/80/987653080.db2.gz ZGABNNYBIKRNHQ-YPMHNXCESA-N 2 1 225.380 1.106 20 0 BDADMP O[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC001246262242 987659980 /nfs/dbraw/zinc/65/99/80/987659980.db2.gz BRHWVXLRJGLXHA-GJZGRUSLSA-N 2 1 246.354 1.376 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ncccc2O)CC[NH2+]1 ZINC001246267695 987663486 /nfs/dbraw/zinc/66/34/86/987663486.db2.gz VWGZIONRDMFMNC-ZJUUUORDSA-N 2 1 221.304 1.017 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[Si](C)(C)C)C[NH2+]1 ZINC001246270943 987664780 /nfs/dbraw/zinc/66/47/80/987664780.db2.gz XBLMFHQQIBAREY-VHSXEESVSA-N 2 1 200.402 1.594 20 0 BDADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCNC1 ZINC001246285256 987679830 /nfs/dbraw/zinc/67/98/30/987679830.db2.gz QRQXLLBKQKULLR-GJZGRUSLSA-N 2 1 248.370 1.586 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303315 987684228 /nfs/dbraw/zinc/68/42/28/987684228.db2.gz XGCRAMOHIMRFSL-AVGNSLFASA-N 2 1 247.342 1.217 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCC(C)(C)O)C[NH2+]1 ZINC001246299757 987695209 /nfs/dbraw/zinc/69/52/09/987695209.db2.gz KPZRQNWZHPUUMS-GHMZBOCLSA-N 2 1 214.353 1.268 20 0 BDADMP CCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246306638 987705981 /nfs/dbraw/zinc/70/59/81/987705981.db2.gz LABLMHZCQNKBHA-HZSPNIEDSA-N 2 1 242.407 1.905 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246311624 987711644 /nfs/dbraw/zinc/71/16/44/987711644.db2.gz QJSXTCRJWFAAJX-QCNOEVLYSA-N 2 1 240.347 1.058 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[NH2+]1 ZINC001246316041 987722290 /nfs/dbraw/zinc/72/22/90/987722290.db2.gz OKVIZYYGSYKQLH-WCUVEOEZSA-N 2 1 246.354 1.375 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COCc3ccccc32)CC[NH2+]1 ZINC001246321485 987728968 /nfs/dbraw/zinc/72/89/68/987728968.db2.gz WQMGBSZKMULMCH-OSAQELSMSA-N 2 1 246.354 1.988 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])CC[NH2+]1 ZINC001246327379 987730493 /nfs/dbraw/zinc/73/04/93/987730493.db2.gz NCVGNSLBSUWUBG-JHJVBQTASA-N 3 1 227.396 1.482 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@H]1CC[C@H](C)NC1 ZINC001246330737 987736058 /nfs/dbraw/zinc/73/60/58/987736058.db2.gz SYVTUYMSFGYBML-ONGXEEELSA-N 2 1 212.337 1.474 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCN2CCC(F)CC2)CC[NH2+]1 ZINC001246338678 987750039 /nfs/dbraw/zinc/75/00/39/987750039.db2.gz ADKBBGGCLPABHL-WCQYABFASA-N 2 1 243.370 1.150 20 0 BDADMP CC1([NH2+][C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC001246349403 987757070 /nfs/dbraw/zinc/75/70/70/987757070.db2.gz KQQATRLYNGVUNF-CQSZACIVSA-N 2 1 230.355 1.886 20 0 BDADMP CC[C@@H]1CC([N@H+]2C=C(N)C=CC2)C[C@@H](CC)[NH2+]1 ZINC001246356004 987765263 /nfs/dbraw/zinc/76/52/63/987765263.db2.gz RIKSHQQUOLEZRX-CHWSQXEVSA-N 2 1 235.375 1.968 20 0 BDADMP CC[C@@H]1CC([N@@H+]2C=C(N)C=CC2)C[C@@H](CC)[NH2+]1 ZINC001246356004 987765272 /nfs/dbraw/zinc/76/52/72/987765272.db2.gz RIKSHQQUOLEZRX-CHWSQXEVSA-N 2 1 235.375 1.968 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246362497 987767673 /nfs/dbraw/zinc/76/76/73/987767673.db2.gz MAGFWZFOVLYNBU-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246361261 987767714 /nfs/dbraw/zinc/76/77/14/987767714.db2.gz ZCXFLSMYKWROBM-KKOKHZNYSA-N 2 1 208.349 1.763 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246360698 987769398 /nfs/dbraw/zinc/76/93/98/987769398.db2.gz IBIQNHJPSCHCFG-XQQFMLRXSA-N 2 1 225.380 1.199 20 0 BDADMP CCCC(CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401950 987783549 /nfs/dbraw/zinc/78/35/49/987783549.db2.gz QHTMWAQPCZVAAR-LBPRGKRZSA-N 2 1 244.379 1.825 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+]C1CCCCCC1 ZINC001246401502 987783757 /nfs/dbraw/zinc/78/37/57/987783757.db2.gz LZTZQUJAFFBACU-LBPRGKRZSA-N 2 1 242.363 1.579 20 0 BDADMP CCC1(CN[C@@H]2C[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246423898 987796926 /nfs/dbraw/zinc/79/69/26/987796926.db2.gz RRVQYRKGWRXCMM-RYUDHWBXSA-N 2 1 225.380 1.106 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]C1)C1(CC2CC2)CC1 ZINC001246433207 987798124 /nfs/dbraw/zinc/79/81/24/987798124.db2.gz QVIPPTUCEPLYKH-GFCCVEGCSA-N 2 1 208.349 1.908 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246446297 987806308 /nfs/dbraw/zinc/80/63/08/987806308.db2.gz BYYSLMGSINPATM-FRRDWIJNSA-N 3 1 225.380 1.093 20 0 BDADMP CC(C)NCC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246455551 987812425 /nfs/dbraw/zinc/81/24/25/987812425.db2.gz XOWHAMHGNHADCE-UONOGXRCSA-N 2 1 239.407 1.496 20 0 BDADMP [NH3+]CCC[NH2+]CCC[NH2+]C1CCC2(CC2)CC1 ZINC001246457718 987816573 /nfs/dbraw/zinc/81/65/73/987816573.db2.gz QTRKHHHUHGSJHT-UHFFFAOYSA-N 3 1 239.407 1.627 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246501711 987856778 /nfs/dbraw/zinc/85/67/78/987856778.db2.gz CCYAZBQQDHXSKY-YPMHNXCESA-N 3 1 237.391 1.249 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)CC[NH2+]1 ZINC001246505718 987860432 /nfs/dbraw/zinc/86/04/32/987860432.db2.gz PJXKPRNZMSULPQ-AAEUAGOBSA-N 2 1 244.342 1.564 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507304 987862107 /nfs/dbraw/zinc/86/21/07/987862107.db2.gz NASGJZNNVDGDGF-ZIAGYGMSSA-N 2 1 233.359 1.370 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507302 987863419 /nfs/dbraw/zinc/86/34/19/987863419.db2.gz NASGJZNNVDGDGF-UONOGXRCSA-N 2 1 233.359 1.370 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC001246511490 987863768 /nfs/dbraw/zinc/86/37/68/987863768.db2.gz BWEMTUNHMZKQRN-MGPQQGTHSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@]2(C)CCCOC2)C[NH2+]1 ZINC001246514053 987863779 /nfs/dbraw/zinc/86/37/79/987863779.db2.gz ZTPREVAEFLQEPT-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP C1C[NH2+]C[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001246524526 987876294 /nfs/dbraw/zinc/87/62/94/987876294.db2.gz GIEPHFQGXATFSD-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+]C[C@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001246524526 987876296 /nfs/dbraw/zinc/87/62/96/987876296.db2.gz GIEPHFQGXATFSD-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 ZINC001246526543 987880106 /nfs/dbraw/zinc/88/01/06/987880106.db2.gz YXHJMEPLUKTXHD-CQSZACIVSA-N 3 1 241.423 1.792 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)N1CCC[NH2+]CC1 ZINC001246526543 987880109 /nfs/dbraw/zinc/88/01/09/987880109.db2.gz YXHJMEPLUKTXHD-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCNCC1 ZINC001246526543 987880114 /nfs/dbraw/zinc/88/01/14/987880114.db2.gz YXHJMEPLUKTXHD-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCNCC1 ZINC001246526543 987880116 /nfs/dbraw/zinc/88/01/16/987880116.db2.gz YXHJMEPLUKTXHD-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCC[N@@H+](CCOC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246530925 987885286 /nfs/dbraw/zinc/88/52/86/987885286.db2.gz QKQLHFKBUFGZPQ-NWDGAFQWSA-N 2 1 214.353 1.485 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@](C)([NH3+])C3)C[C@@H]21 ZINC001246532807 987891043 /nfs/dbraw/zinc/89/10/43/987891043.db2.gz YJBSGXRRLURASC-KQXIARHKSA-N 2 1 208.349 1.844 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532582 987891566 /nfs/dbraw/zinc/89/15/66/987891566.db2.gz WXGCMHZESMLCNS-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532582 987891568 /nfs/dbraw/zinc/89/15/68/987891568.db2.gz WXGCMHZESMLCNS-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538514 987899077 /nfs/dbraw/zinc/89/90/77/987899077.db2.gz CIEOOUZRMLZRJF-QJPTWQEYSA-N 2 1 222.332 1.737 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CCSC2)C[C@H]1C[NH3+] ZINC001246538081 987899750 /nfs/dbraw/zinc/89/97/50/987899750.db2.gz ALOYROOFEURBRE-IVZWLZJFSA-N 2 1 200.351 1.019 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545972 987931377 /nfs/dbraw/zinc/93/13/77/987931377.db2.gz LWDBZGSAHBCETQ-OBJOEFQTSA-N 2 1 233.359 1.824 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545972 987931378 /nfs/dbraw/zinc/93/13/78/987931378.db2.gz LWDBZGSAHBCETQ-OBJOEFQTSA-N 2 1 233.359 1.824 20 0 BDADMP CCSC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246549862 987938684 /nfs/dbraw/zinc/93/86/84/987938684.db2.gz INZXIRUYDNIPRV-RYUDHWBXSA-N 2 1 246.420 1.304 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548054 987938857 /nfs/dbraw/zinc/93/88/57/987938857.db2.gz FGPPGNMBUGNAQT-MCIONIFRSA-N 3 1 239.407 1.720 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548054 987938864 /nfs/dbraw/zinc/93/88/64/987938864.db2.gz FGPPGNMBUGNAQT-MCIONIFRSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H]1CC([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549690 987939829 /nfs/dbraw/zinc/93/98/29/987939829.db2.gz HQHALNSEQRGOFV-LPWJVIDDSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1CC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246549690 987939833 /nfs/dbraw/zinc/93/98/33/987939833.db2.gz HQHALNSEQRGOFV-LPWJVIDDSA-N 3 1 239.407 1.432 20 0 BDADMP CC(C)C[NH+]1CCC(Nc2cc(N)[nH+]cn2)CC1 ZINC001321566417 987940248 /nfs/dbraw/zinc/94/02/48/987940248.db2.gz NENWDRLNIRRSCA-UHFFFAOYSA-N 2 1 249.362 1.591 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1C[NH3+] ZINC001246550921 987946398 /nfs/dbraw/zinc/94/63/98/987946398.db2.gz KYAMTXCVUVNEKK-FRRDWIJNSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+]C(C)(C)C2)C[C@@H]1C[NH3+] ZINC001246550921 987946411 /nfs/dbraw/zinc/94/64/11/987946411.db2.gz KYAMTXCVUVNEKK-FRRDWIJNSA-N 3 1 239.407 1.434 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246552946 987950133 /nfs/dbraw/zinc/95/01/33/987950133.db2.gz WLRZJHXSTBGJDS-CHWSQXEVSA-N 3 1 243.370 1.281 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCCOC2)CC1 ZINC001246553569 987959171 /nfs/dbraw/zinc/95/91/71/987959171.db2.gz ZEXXAMVPMMSAAX-NWDGAFQWSA-N 2 1 230.327 1.318 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001246554555 987960201 /nfs/dbraw/zinc/96/02/01/987960201.db2.gz BGUQEASIYFSETN-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246555307 987960342 /nfs/dbraw/zinc/96/03/42/987960342.db2.gz FYFBGILICQJUOG-IRCOFANPSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246555307 987960349 /nfs/dbraw/zinc/96/03/49/987960349.db2.gz FYFBGILICQJUOG-IRCOFANPSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001246553960 987960531 /nfs/dbraw/zinc/96/05/31/987960531.db2.gz ALZIPVXPWIIPRF-NEPJUHHUSA-N 3 1 225.380 1.045 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553459 987960785 /nfs/dbraw/zinc/96/07/85/987960785.db2.gz SJPZZPIPAWNCTD-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246553402 987961686 /nfs/dbraw/zinc/96/16/86/987961686.db2.gz RMXIEQAFUNZVFT-GSPSYOTPSA-N 2 1 236.359 1.676 20 0 BDADMP CCC[C@@H](CC)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556734 987967264 /nfs/dbraw/zinc/96/72/64/987967264.db2.gz FYRPZBBGMFTWRX-CHWSQXEVSA-N 2 1 228.380 1.741 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCO1 ZINC001246555365 987968846 /nfs/dbraw/zinc/96/88/46/987968846.db2.gz DUEHSHMGSRWCKP-ZOBORPQBSA-N 2 1 240.391 1.861 20 0 BDADMP CCc1ncc(C[NH2+]CC[C@@H](C)[NH2+]C)s1 ZINC001117953907 987969339 /nfs/dbraw/zinc/96/93/39/987969339.db2.gz SREIHNLEXYYHNK-SECBINFHSA-N 2 1 227.377 1.793 20 0 BDADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1O ZINC001246557615 987974253 /nfs/dbraw/zinc/97/42/53/987974253.db2.gz NDTDZJKNAJRIFM-BEUHCMRWSA-N 2 1 238.375 1.362 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC001118017941 987984656 /nfs/dbraw/zinc/98/46/56/987984656.db2.gz DCSXEQOWSDBNTC-JTQLQIEISA-N 2 1 238.379 1.795 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246563268 988002528 /nfs/dbraw/zinc/00/25/28/988002528.db2.gz PTRAUMDBKGXJLQ-RFGFWPKPSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246563269 988005843 /nfs/dbraw/zinc/00/58/43/988005843.db2.gz PTRAUMDBKGXJLQ-RQJABVFESA-N 2 1 240.391 1.861 20 0 BDADMP CC[N@@H+](CCCC(=O)OC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246565263 988012410 /nfs/dbraw/zinc/01/24/10/988012410.db2.gz PIKBHVFPWFXTAO-RYUDHWBXSA-N 2 1 242.363 1.402 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564362 988018590 /nfs/dbraw/zinc/01/85/90/988018590.db2.gz NBMJRJWIRBNIRX-NDBYEHHHSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564362 988018609 /nfs/dbraw/zinc/01/86/09/988018609.db2.gz NBMJRJWIRBNIRX-NDBYEHHHSA-N 3 1 225.380 1.186 20 0 BDADMP CC[N@@H+](CCCC(=O)OC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246565261 988020215 /nfs/dbraw/zinc/02/02/15/988020215.db2.gz PIKBHVFPWFXTAO-NEPJUHHUSA-N 2 1 242.363 1.402 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564359 988022139 /nfs/dbraw/zinc/02/21/39/988022139.db2.gz NBMJRJWIRBNIRX-FVCCEPFGSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC[NH2+]1 ZINC001246564359 988022157 /nfs/dbraw/zinc/02/21/57/988022157.db2.gz NBMJRJWIRBNIRX-FVCCEPFGSA-N 3 1 225.380 1.186 20 0 BDADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246567162 988023036 /nfs/dbraw/zinc/02/30/36/988023036.db2.gz LMOQBGHDQZCXEN-FDYHWXHSSA-N 2 1 228.380 1.859 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC001246566056 988030699 /nfs/dbraw/zinc/03/06/99/988030699.db2.gz HDCKNAXGDOTXMR-UTUOFQBUSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC001246566056 988030715 /nfs/dbraw/zinc/03/07/15/988030715.db2.gz HDCKNAXGDOTXMR-UTUOFQBUSA-N 2 1 226.364 1.613 20 0 BDADMP CSCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246569271 988034592 /nfs/dbraw/zinc/03/45/92/988034592.db2.gz OREFZCZKUUXOKV-VWYCJHECSA-N 2 1 216.394 1.797 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246572009 988063752 /nfs/dbraw/zinc/06/37/52/988063752.db2.gz SZOWMHOZGKNKLM-TUAOUCFPSA-N 2 1 232.343 1.563 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246572009 988063767 /nfs/dbraw/zinc/06/37/67/988063767.db2.gz SZOWMHOZGKNKLM-TUAOUCFPSA-N 2 1 232.343 1.563 20 0 BDADMP CC[C@@H]1C[C@H](N2CCC(F)(F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246579680 988097456 /nfs/dbraw/zinc/09/74/56/988097456.db2.gz CXKCLMUYVYFHSR-GMTAPVOTSA-N 2 1 247.333 1.185 20 0 BDADMP Cc1ccc(C[C@@H](C)[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246579609 988099260 /nfs/dbraw/zinc/09/92/60/988099260.db2.gz KAKONXQDCYMRHB-SNPRPXQTSA-N 2 1 248.370 1.177 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246582819 988119038 /nfs/dbraw/zinc/11/90/38/988119038.db2.gz TZEOVWBWUSEMBJ-JHJVBQTASA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246582819 988119071 /nfs/dbraw/zinc/11/90/71/988119071.db2.gz TZEOVWBWUSEMBJ-JHJVBQTASA-N 2 1 244.354 1.707 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582931 988123312 /nfs/dbraw/zinc/12/33/12/988123312.db2.gz PEWYGZUSMMTXEM-RVMXOQNASA-N 2 1 208.349 1.846 20 0 BDADMP CCCCC[C@@H](CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246584499 988134886 /nfs/dbraw/zinc/13/48/86/988134886.db2.gz NHCKIKKIRRWEGH-XQQFMLRXSA-N 2 1 228.380 1.597 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1F ZINC001246585408 988135778 /nfs/dbraw/zinc/13/57/78/988135778.db2.gz KFOWOKHXVVAYDQ-YBXAARCKSA-N 2 1 212.312 1.546 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1F ZINC001246585408 988135786 /nfs/dbraw/zinc/13/57/86/988135786.db2.gz KFOWOKHXVVAYDQ-YBXAARCKSA-N 2 1 212.312 1.546 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC(C)(C)C[C@@]2(C)CO)CC[NH2+]1 ZINC001246588097 988161083 /nfs/dbraw/zinc/16/10/83/988161083.db2.gz JHEFWSRSBLQCKY-BZPMIXESSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC(C)(C)C[C@]2(C)CO)C[NH2+]1 ZINC001246590268 988167740 /nfs/dbraw/zinc/16/77/40/988167740.db2.gz SBFRHJPSJCHVBA-YRGRVCCFSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC(C)(C)C[C@]2(C)CO)C[NH2+]1 ZINC001246590268 988167771 /nfs/dbraw/zinc/16/77/71/988167771.db2.gz SBFRHJPSJCHVBA-YRGRVCCFSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC(C)(C)C[C@@]2(C)CO)C[NH2+]1 ZINC001246590265 988168345 /nfs/dbraw/zinc/16/83/45/988168345.db2.gz SBFRHJPSJCHVBA-BZPMIXESSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC(C)(C)C[C@@]2(C)CO)C[NH2+]1 ZINC001246590265 988168358 /nfs/dbraw/zinc/16/83/58/988168358.db2.gz SBFRHJPSJCHVBA-BZPMIXESSA-N 2 1 240.391 1.610 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593437 988179633 /nfs/dbraw/zinc/17/96/33/988179633.db2.gz NDVQYXUNTBPJQT-QWHCGFSZSA-N 3 1 237.391 1.189 20 0 BDADMP C[C@H](Cc1ccco1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246593790 988184530 /nfs/dbraw/zinc/18/45/30/988184530.db2.gz FCBZGBAXIWKNPY-SNVBAGLBSA-N 2 1 208.305 1.491 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593747 988187627 /nfs/dbraw/zinc/18/76/27/988187627.db2.gz NTHQSXJJANKBBB-YIYPIFLZSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC([NH3+])C3)CC2)C[NH2+]1 ZINC001246600782 988211310 /nfs/dbraw/zinc/21/13/10/988211310.db2.gz IFYIBCURKFGZBX-WCQYABFASA-N 3 1 237.391 1.330 20 0 BDADMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]C(C)C ZINC001495132991 988217772 /nfs/dbraw/zinc/21/77/72/988217772.db2.gz BRPHDJLHYOLTIE-LBPRGKRZSA-N 2 1 243.395 1.219 20 0 BDADMP C[C@@H]1CCC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246621942 988264758 /nfs/dbraw/zinc/26/47/58/988264758.db2.gz FGUHBUUUOMCWEC-HZSPNIEDSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CCC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246621943 988268613 /nfs/dbraw/zinc/26/86/13/988268613.db2.gz FGUHBUUUOMCWEC-MCIONIFRSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@@H](CC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246622756 988272038 /nfs/dbraw/zinc/27/20/38/988272038.db2.gz INFYVVUMSBXFIE-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246624906 988280787 /nfs/dbraw/zinc/28/07/87/988280787.db2.gz GPOXMRSGEIVUFB-LBPRGKRZSA-N 3 1 243.370 1.234 20 0 BDADMP CN1CCC[C@H]([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246624906 988280805 /nfs/dbraw/zinc/28/08/05/988280805.db2.gz GPOXMRSGEIVUFB-LBPRGKRZSA-N 2 1 243.370 1.234 20 0 BDADMP CC1(C)CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246628100 988292787 /nfs/dbraw/zinc/29/27/87/988292787.db2.gz XDLOBRIKMUHWIK-TZMCWYRMSA-N 2 1 237.391 1.202 20 0 BDADMP CC1(C)[C@@H]2C[C@@H](N3CC[NH2+]C[C@@]34CC[NH2+]C4)C[C@@H]21 ZINC001246629532 988306530 /nfs/dbraw/zinc/30/65/30/988306530.db2.gz OLIOGWKWVFZINO-XPCVCDNBSA-N 2 1 249.402 1.058 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246629702 988311839 /nfs/dbraw/zinc/31/18/39/988311839.db2.gz FZABYFZXUGTVPB-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642964 988349052 /nfs/dbraw/zinc/34/90/52/988349052.db2.gz NQUBCXVLGLEJDH-KGLIPLIRSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643110 988358247 /nfs/dbraw/zinc/35/82/47/988358247.db2.gz OBIDBUDVHOYNNP-KBPBESRZSA-N 2 1 239.407 1.448 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCCC[N@H+]2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645660 988363184 /nfs/dbraw/zinc/36/31/84/988363184.db2.gz CWZURFDCLXYQHN-LXTVHRRPSA-N 3 1 249.402 1.202 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCCCN2[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645660 988363195 /nfs/dbraw/zinc/36/31/95/988363195.db2.gz CWZURFDCLXYQHN-LXTVHRRPSA-N 2 1 249.402 1.202 20 0 BDADMP C1C[NH2+]C[C@@H]([NH+]2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246645813 988366659 /nfs/dbraw/zinc/36/66/59/988366659.db2.gz VRCMPFSKHOLBKA-ZDUSSCGKSA-N 3 1 237.391 1.204 20 0 BDADMP C[C@H]1CNCC[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246676330 988420056 /nfs/dbraw/zinc/42/00/56/988420056.db2.gz ZDYFMVKMXRXTTI-HSBZDZAISA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1C[NH2+]CCN1C1CCC2(CC[NH2+]C2)CC1 ZINC001246676330 988420070 /nfs/dbraw/zinc/42/00/70/988420070.db2.gz ZDYFMVKMXRXTTI-HSBZDZAISA-N 2 1 237.391 1.202 20 0 BDADMP C[N@@H+](CCC[NH3+])C1CCC2(CCC[NH2+]C2)CC1 ZINC001246677971 988425928 /nfs/dbraw/zinc/42/59/28/988425928.db2.gz BCWUZWUEMBLQFF-UHFFFAOYSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]2O1 ZINC001246690169 988438518 /nfs/dbraw/zinc/43/85/18/988438518.db2.gz BBZMUXUDSYXSLM-WUHRBBMRSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]2O1 ZINC001246690169 988438525 /nfs/dbraw/zinc/43/85/25/988438525.db2.gz BBZMUXUDSYXSLM-WUHRBBMRSA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246761728 988452941 /nfs/dbraw/zinc/45/29/41/988452941.db2.gz WJFVIIRJRJLRKT-MQYQWHSLSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH2+]1 ZINC001246768668 988453517 /nfs/dbraw/zinc/45/35/17/988453517.db2.gz GASNYFMBGSQHJV-HHHUOAJASA-N 2 1 212.312 1.559 20 0 BDADMP CO[C@H]1CCC[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246761730 988456284 /nfs/dbraw/zinc/45/62/84/988456284.db2.gz WJFVIIRJRJLRKT-RFGFWPKPSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH2+]1 ZINC001246768670 988456499 /nfs/dbraw/zinc/45/64/99/988456499.db2.gz GASNYFMBGSQHJV-WTPMCQDGSA-N 2 1 212.312 1.559 20 0 BDADMP c1cncc(O[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246785206 988460223 /nfs/dbraw/zinc/46/02/23/988460223.db2.gz JTXOXSVNKPPPGR-AWEZNQCLSA-N 2 1 247.342 1.287 20 0 BDADMP c1cncc(O[C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246785206 988460230 /nfs/dbraw/zinc/46/02/30/988460230.db2.gz JTXOXSVNKPPPGR-AWEZNQCLSA-N 2 1 247.342 1.287 20 0 BDADMP C[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H]1C ZINC001246792853 988466946 /nfs/dbraw/zinc/46/69/46/988466946.db2.gz YCNNJAIQJBYUOD-AGIUHOORSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@H]1CNCC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246804494 988485809 /nfs/dbraw/zinc/48/58/09/988485809.db2.gz PYESTYKMJSSLOE-LBPRGKRZSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@H]1C[NH2+]CCN1C1CCC2(C[NH2+]C2)CC1 ZINC001246804494 988485811 /nfs/dbraw/zinc/48/58/11/988485811.db2.gz PYESTYKMJSSLOE-LBPRGKRZSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H](C)C1 ZINC001246810493 988490756 /nfs/dbraw/zinc/49/07/56/988490756.db2.gz NRUJNTYWPQJYMT-AGIUHOORSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCCCC23COC3)CC[NH2+]1 ZINC001246808184 988490852 /nfs/dbraw/zinc/49/08/52/988490852.db2.gz RZBRNQHTIOFMHS-VXGBXAGGSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCCC23COC3)CC[NH2+]1 ZINC001246808184 988490854 /nfs/dbraw/zinc/49/08/54/988490854.db2.gz RZBRNQHTIOFMHS-VXGBXAGGSA-N 2 1 224.348 1.382 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC001323560457 988552573 /nfs/dbraw/zinc/55/25/73/988552573.db2.gz KTYWCEJHXAMIAR-IYXRBSQSSA-N 2 1 240.391 1.611 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246849671 988566829 /nfs/dbraw/zinc/56/68/29/988566829.db2.gz AMKGETCEQBQFPP-GMXVVIOVSA-N 2 1 208.349 1.988 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)C[C@@H]21 ZINC001246851804 988571101 /nfs/dbraw/zinc/57/11/01/988571101.db2.gz HPWQBYIUZYMOPW-MPLKPFFPSA-N 2 1 220.360 1.844 20 0 BDADMP CCSC[C@H](C)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246857000 988580022 /nfs/dbraw/zinc/58/00/22/988580022.db2.gz YLSYNCGNKMCWKI-AXFHLTTASA-N 2 1 214.378 1.551 20 0 BDADMP CCSC[C@H](C)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246857000 988580032 /nfs/dbraw/zinc/58/00/32/988580032.db2.gz YLSYNCGNKMCWKI-AXFHLTTASA-N 2 1 214.378 1.551 20 0 BDADMP c1cn2c([nH+]1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246857636 988591402 /nfs/dbraw/zinc/59/14/02/988591402.db2.gz BTFZSTPTJNVYOJ-FUNVUKJBSA-N 2 1 246.358 1.024 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH2+]1 ZINC001246858369 988592743 /nfs/dbraw/zinc/59/27/43/988592743.db2.gz GASNYFMBGSQHJV-SVNGYHJRSA-N 2 1 212.312 1.559 20 0 BDADMP COC1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246859328 988593555 /nfs/dbraw/zinc/59/35/55/988593555.db2.gz JUOLIAMKOGSWDZ-WTIISPKJSA-N 2 1 224.348 1.367 20 0 BDADMP CC(C)CC[C@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861961 988597877 /nfs/dbraw/zinc/59/78/77/988597877.db2.gz SJZQSROMPPMZJM-ICIURTGMSA-N 2 1 240.391 1.717 20 0 BDADMP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860889 988601623 /nfs/dbraw/zinc/60/16/23/988601623.db2.gz ONUVRYSAPVTFEL-RBKKPWLPSA-N 2 1 240.391 1.717 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC001246864163 988609199 /nfs/dbraw/zinc/60/91/99/988609199.db2.gz UOZZDIHPYSOAHC-HIFRSBDPSA-N 2 1 228.339 1.577 20 0 BDADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3C[C@@]3([NH3+])C1)CC2 ZINC001246868707 988626573 /nfs/dbraw/zinc/62/65/73/988626573.db2.gz KTESGVOMBVQOLV-BZUAXINKSA-N 2 1 242.366 1.885 20 0 BDADMP Cc1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3C[C@@]3([NH3+])C1)CC2 ZINC001246868707 988626588 /nfs/dbraw/zinc/62/65/88/988626588.db2.gz KTESGVOMBVQOLV-BZUAXINKSA-N 2 1 242.366 1.885 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246910918 988693504 /nfs/dbraw/zinc/69/35/04/988693504.db2.gz LQUBVAMKZRDWBR-OLZOCXBDSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246914128 988704729 /nfs/dbraw/zinc/70/47/29/988704729.db2.gz ZGIIDMFQWOQJOS-CYDGBPFRSA-N 3 1 225.380 1.329 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246928742 988747189 /nfs/dbraw/zinc/74/71/89/988747189.db2.gz BWFVBENMKAVRLQ-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP C1[NH2+][C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924872 988750745 /nfs/dbraw/zinc/75/07/45/988750745.db2.gz NGQAZGBOQDMQQZ-GXTWGEPZSA-N 3 1 249.402 1.202 20 0 BDADMP C1N[C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924872 988750757 /nfs/dbraw/zinc/75/07/57/988750757.db2.gz NGQAZGBOQDMQQZ-GXTWGEPZSA-N 2 1 249.402 1.202 20 0 BDADMP C1N[C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924872 988750779 /nfs/dbraw/zinc/75/07/79/988750779.db2.gz NGQAZGBOQDMQQZ-GXTWGEPZSA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+][C@@H]2CN(C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC001246924872 988750796 /nfs/dbraw/zinc/75/07/96/988750796.db2.gz NGQAZGBOQDMQQZ-GXTWGEPZSA-N 2 1 249.402 1.202 20 0 BDADMP C1CC2(C[C@@H]1[N@H+]1C[C@@H]3CC[C@H]1CN3)CC[NH2+]CC2 ZINC001246941836 988774996 /nfs/dbraw/zinc/77/49/96/988774996.db2.gz CGJVGOFWZWVZLZ-MJBXVCDLSA-N 2 1 249.402 1.345 20 0 BDADMP C1CC2(C[C@@H]1N1C[C@@H]3CC[C@H]1C[NH2+]3)CC[NH2+]CC2 ZINC001246941836 988775011 /nfs/dbraw/zinc/77/50/11/988775011.db2.gz CGJVGOFWZWVZLZ-MJBXVCDLSA-N 2 1 249.402 1.345 20 0 BDADMP CC[N@H+](C[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246944126 988780843 /nfs/dbraw/zinc/78/08/43/988780843.db2.gz UEMRPLGGUDBNDB-ICIURTGMSA-N 3 1 237.391 1.201 20 0 BDADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246944126 988780853 /nfs/dbraw/zinc/78/08/53/988780853.db2.gz UEMRPLGGUDBNDB-ICIURTGMSA-N 3 1 237.391 1.201 20 0 BDADMP CC1(C)CCC([N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)CC1 ZINC001246985826 988820162 /nfs/dbraw/zinc/82/01/62/988820162.db2.gz BONRPBZLLCOZRU-GFCCVEGCSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@@H]([NH3+])C3(COC3)C2)CC1 ZINC001246985826 988820166 /nfs/dbraw/zinc/82/01/66/988820166.db2.gz BONRPBZLLCOZRU-GFCCVEGCSA-N 2 1 238.375 1.615 20 0 BDADMP FC[C@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246990737 988823896 /nfs/dbraw/zinc/82/38/96/988823896.db2.gz XXEFLMMFMBKZFV-FBTJUVTCSA-N 2 1 212.312 1.703 20 0 BDADMP FC[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246990737 988823901 /nfs/dbraw/zinc/82/39/01/988823901.db2.gz XXEFLMMFMBKZFV-FBTJUVTCSA-N 2 1 212.312 1.703 20 0 BDADMP O=C1CCC[C@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]12 ZINC001247005637 988837155 /nfs/dbraw/zinc/83/71/55/988837155.db2.gz QUQSOLVXQVMFKS-CMPLNLGQSA-N 2 1 222.332 1.039 20 0 BDADMP COC1(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC001119245510 988863249 /nfs/dbraw/zinc/86/32/49/988863249.db2.gz RABZUTNZOAHPDA-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1ncccc1-c1noc([C@@H]([NH3+])CCC[NH3+])n1 ZINC001247510253 988906019 /nfs/dbraw/zinc/90/60/19/988906019.db2.gz YVLYENOFEHPDBL-JTQLQIEISA-N 2 1 247.302 1.179 20 0 BDADMP Cc1ncccc1-c1noc([C@H]([NH3+])CCC[NH3+])n1 ZINC001247510256 988908678 /nfs/dbraw/zinc/90/86/78/988908678.db2.gz YVLYENOFEHPDBL-SNVBAGLBSA-N 2 1 247.302 1.179 20 0 BDADMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1F ZINC001325273223 989139041 /nfs/dbraw/zinc/13/90/41/989139041.db2.gz QJHSFKJCPKFEHK-DTWKUNHWSA-N 2 1 226.295 1.660 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001258113461 991023513 /nfs/dbraw/zinc/02/35/13/991023513.db2.gz WCUIQJNZOGPIHO-VXGBXAGGSA-N 2 1 244.379 1.635 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001308553895 991033985 /nfs/dbraw/zinc/03/39/85/991033985.db2.gz NFQCTMJCBBBDIA-YNEHKIRRSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308553895 991033994 /nfs/dbraw/zinc/03/39/94/991033994.db2.gz NFQCTMJCBBBDIA-YNEHKIRRSA-N 2 1 248.374 1.158 20 0 BDADMP C[C@@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCO1 ZINC001308611990 991060154 /nfs/dbraw/zinc/06/01/54/991060154.db2.gz UEOSHFNQVXJUOV-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP CSCC[C@@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258204290 991123938 /nfs/dbraw/zinc/12/39/38/991123938.db2.gz RNSRMHNSCRGZGC-NXEZZACHSA-N 2 1 243.376 1.059 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001308984298 991250018 /nfs/dbraw/zinc/25/00/18/991250018.db2.gz MMNFMNHPRAGAFL-NAWOPXAZSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001308984304 991252942 /nfs/dbraw/zinc/25/29/42/991252942.db2.gz MMNFMNHPRAGAFL-RXGFPQBGSA-N 2 1 208.349 1.715 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258351243 991284729 /nfs/dbraw/zinc/28/47/29/991284729.db2.gz KTWOSAJZIWOQAY-VXGBXAGGSA-N 2 1 242.363 1.402 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001560055496 991369279 /nfs/dbraw/zinc/36/92/79/991369279.db2.gz BVHLQKKKNZAMSU-ZOBORPQBSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1 ZINC001560055496 991369290 /nfs/dbraw/zinc/36/92/90/991369290.db2.gz BVHLQKKKNZAMSU-ZOBORPQBSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1 ZINC001560055496 991369304 /nfs/dbraw/zinc/36/93/04/991369304.db2.gz BVHLQKKKNZAMSU-ZOBORPQBSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H](CC1CC1)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001258453643 991403637 /nfs/dbraw/zinc/40/36/37/991403637.db2.gz DODFYMDSTDXSPO-FZMZJTMJSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258472999 991442798 /nfs/dbraw/zinc/44/27/98/991442798.db2.gz LMHFYLULGVAHKO-LLVKDONJSA-N 2 1 219.332 1.930 20 0 BDADMP C[C@H](CC1CC1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258472999 991442803 /nfs/dbraw/zinc/44/28/03/991442803.db2.gz LMHFYLULGVAHKO-LLVKDONJSA-N 2 1 219.332 1.930 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001258615196 991542316 /nfs/dbraw/zinc/54/23/16/991542316.db2.gz FCVAAWNYXHIBAB-NWDGAFQWSA-N 2 1 221.348 1.539 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001560802751 991607415 /nfs/dbraw/zinc/60/74/15/991607415.db2.gz CUFIFCJFRJRXNE-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](CC[NH3+])CCO)CC(C)(C)C1 ZINC001258686312 991617823 /nfs/dbraw/zinc/61/78/23/991617823.db2.gz BMMVSFQKKZENTN-VXGBXAGGSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](CC[NH3+])CCO)CC(C)(C)C1 ZINC001258686312 991617829 /nfs/dbraw/zinc/61/78/29/991617829.db2.gz BMMVSFQKKZENTN-VXGBXAGGSA-N 2 1 228.380 1.454 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001258771640 991736566 /nfs/dbraw/zinc/73/65/66/991736566.db2.gz MPAMGCFTAGGTIE-CHWSQXEVSA-N 2 1 244.354 1.266 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001258771640 991736573 /nfs/dbraw/zinc/73/65/73/991736573.db2.gz MPAMGCFTAGGTIE-CHWSQXEVSA-N 2 1 244.354 1.266 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1CN ZINC001258899015 991893816 /nfs/dbraw/zinc/89/38/16/991893816.db2.gz BANGSNQCKCSGQS-KGLIPLIRSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001258899015 991893819 /nfs/dbraw/zinc/89/38/19/991893819.db2.gz BANGSNQCKCSGQS-KGLIPLIRSA-N 3 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001258899015 991893825 /nfs/dbraw/zinc/89/38/25/991893825.db2.gz BANGSNQCKCSGQS-KGLIPLIRSA-N 3 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](O)C1 ZINC001258907841 991900837 /nfs/dbraw/zinc/90/08/37/991900837.db2.gz NIGDOLYNJJUFIC-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001568308924 992159856 /nfs/dbraw/zinc/15/98/56/992159856.db2.gz HYACVEHSWOUJDW-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(C)C ZINC001569028169 992270566 /nfs/dbraw/zinc/27/05/66/992270566.db2.gz HUVYMVXQVKRHSL-GFCCVEGCSA-N 2 1 243.395 1.079 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001261515358 992361088 /nfs/dbraw/zinc/36/10/88/992361088.db2.gz FGZSOKWMNDQUQJ-PBWFPOADSA-N 2 1 240.391 1.598 20 0 BDADMP CCOC1CC(C[N@H+]2CCC23CC[NH2+]CC3)C1 ZINC001573795486 992713871 /nfs/dbraw/zinc/71/38/71/992713871.db2.gz ITHWPBGFSKTSHF-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC001262487785 992892537 /nfs/dbraw/zinc/89/25/37/992892537.db2.gz FZUOTMYAFDSYPD-LLVKDONJSA-N 2 1 244.342 1.734 20 0 BDADMP C(C1=NOCC1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001574773884 992901244 /nfs/dbraw/zinc/90/12/44/992901244.db2.gz GDLWVSCLZORCRA-VXGBXAGGSA-N 2 1 237.347 1.084 20 0 BDADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@@H]21 ZINC001574799789 992910353 /nfs/dbraw/zinc/91/03/53/992910353.db2.gz FQKULVDZOAJGIQ-BBMNEWJDSA-N 2 1 236.359 1.142 20 0 BDADMP C=C/C=C\CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001574888000 992936224 /nfs/dbraw/zinc/93/62/24/992936224.db2.gz FYEJSILWTXGMBG-TYRPZCRBSA-N 2 1 204.264 1.691 20 0 BDADMP CC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001574979771 992959165 /nfs/dbraw/zinc/95/91/65/992959165.db2.gz CZINCNIZMMNBBZ-NWDGAFQWSA-N 2 1 210.321 1.026 20 0 BDADMP CC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001574979771 992959174 /nfs/dbraw/zinc/95/91/74/992959174.db2.gz CZINCNIZMMNBBZ-NWDGAFQWSA-N 2 1 210.321 1.026 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC001575317748 993012110 /nfs/dbraw/zinc/01/21/10/993012110.db2.gz IZZRFYNWCXSANC-HTQZYQBOSA-N 2 1 240.269 1.423 20 0 BDADMP CC(C)([NH3+])C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC001575357756 993024799 /nfs/dbraw/zinc/02/47/99/993024799.db2.gz GUARHCPJMPNERV-SCZZXKLOSA-N 2 1 234.290 1.128 20 0 BDADMP CC(C)(O)C[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575379804 993031881 /nfs/dbraw/zinc/03/18/81/993031881.db2.gz LRVJKGXWJAZUMB-YPMHNXCESA-N 2 1 226.364 1.208 20 0 BDADMP CC(C)[C@H](O)CC[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575470865 993049522 /nfs/dbraw/zinc/04/95/22/993049522.db2.gz FDEQHNSQVXAZDM-DTWKUNHWSA-N 2 1 242.285 1.263 20 0 BDADMP C[C@@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Cn1ccnc1 ZINC001576032531 993163425 /nfs/dbraw/zinc/16/34/25/993163425.db2.gz GPTNRERZTUNFGT-UWVGGRQHSA-N 2 1 246.305 1.091 20 0 BDADMP CCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)nc1 ZINC000379199689 993229500 /nfs/dbraw/zinc/22/95/00/993229500.db2.gz KLMGCBSQECNGOY-ZDUSSCGKSA-N 2 1 233.359 1.957 20 0 BDADMP CCc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)nc1 ZINC000379199689 993229507 /nfs/dbraw/zinc/22/95/07/993229507.db2.gz KLMGCBSQECNGOY-ZDUSSCGKSA-N 2 1 233.359 1.957 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCO1 ZINC001576250215 993235101 /nfs/dbraw/zinc/23/51/01/993235101.db2.gz CKMBSZPCKCFBOB-GCHJQGSQSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H](O)[C@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576269057 993244727 /nfs/dbraw/zinc/24/47/27/993244727.db2.gz LCHHLGFCIIPNAK-MROQNXINSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001576272202 993248783 /nfs/dbraw/zinc/24/87/83/993248783.db2.gz JTWLDPXXIJJKHW-XHNCKOQMSA-N 2 1 242.285 1.263 20 0 BDADMP CC1(C)CC[C@@H](CO)[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576420907 993300726 /nfs/dbraw/zinc/30/07/26/993300726.db2.gz BBRSXEHVOGYKOD-XQQFMLRXSA-N 2 1 240.391 1.597 20 0 BDADMP CC1(C)OC[C@H](CC[N@@H+]2CCCC[C@@H]2C[NH3+])O1 ZINC001576495824 993321705 /nfs/dbraw/zinc/32/17/05/993321705.db2.gz WJJHOQVTAXMPKS-NEPJUHHUSA-N 2 1 242.363 1.341 20 0 BDADMP CC1(C)OC[C@H](CC[N@H+]2CCCC[C@@H]2C[NH3+])O1 ZINC001576495824 993321709 /nfs/dbraw/zinc/32/17/09/993321709.db2.gz WJJHOQVTAXMPKS-NEPJUHHUSA-N 2 1 242.363 1.341 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H](CC[NH3+])C2)CCCCO1 ZINC001576504004 993325025 /nfs/dbraw/zinc/32/50/25/993325025.db2.gz ZZOAXTNDJDBGLQ-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H]([NH3+])CCC(C)(C)C ZINC001576572451 993351753 /nfs/dbraw/zinc/35/17/53/993351753.db2.gz LOHLKVNSKYKUKV-AGIUHOORSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H]([NH3+])CCC(C)(C)C ZINC001576572451 993351756 /nfs/dbraw/zinc/35/17/56/993351756.db2.gz LOHLKVNSKYKUKV-AGIUHOORSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@@]1(O)CCC[NH2+]C1 ZINC001576589503 993357688 /nfs/dbraw/zinc/35/76/88/993357688.db2.gz QJBNKDTYSZBBGZ-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2CC[NH2+]CC2)CCO1 ZINC001576597097 993360682 /nfs/dbraw/zinc/36/06/82/993360682.db2.gz DIOLORHEFLMEAE-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001576623984 993372993 /nfs/dbraw/zinc/37/29/93/993372993.db2.gz NPUHFCDOYVARFE-YVECIDJPSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCN1C ZINC001576623984 993372996 /nfs/dbraw/zinc/37/29/96/993372996.db2.gz NPUHFCDOYVARFE-YVECIDJPSA-N 2 1 225.380 1.186 20 0 BDADMP COc1ccncc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000381222505 993380159 /nfs/dbraw/zinc/38/01/59/993380159.db2.gz GKWRIAFQPBBELL-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ccncc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000381222505 993380164 /nfs/dbraw/zinc/38/01/64/993380164.db2.gz GKWRIAFQPBBELL-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)C2CC2)[C@H]1C ZINC001576652536 993384130 /nfs/dbraw/zinc/38/41/30/993384130.db2.gz WZLVRSPBRRQKTR-LYIQGSDWSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)C2CC2)[C@H]1C ZINC001576652536 993384132 /nfs/dbraw/zinc/38/41/32/993384132.db2.gz WZLVRSPBRRQKTR-LYIQGSDWSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)CS1 ZINC001576666289 993387022 /nfs/dbraw/zinc/38/70/22/993387022.db2.gz KSJOKPULFQYUNU-GMTAPVOTSA-N 2 1 228.405 1.858 20 0 BDADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCC(C)(C)[NH3+] ZINC001576705514 993400444 /nfs/dbraw/zinc/40/04/44/993400444.db2.gz TVODZHGBMHJFCQ-RYUDHWBXSA-N 2 1 227.396 1.434 20 0 BDADMP CCCC[N@@H+](C)CCNC1CC[NH+](C)CC1 ZINC000381541721 993404551 /nfs/dbraw/zinc/40/45/51/993404551.db2.gz IEJMVMHPVDFPRL-UHFFFAOYSA-N 2 1 227.396 1.402 20 0 BDADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001576731628 993407543 /nfs/dbraw/zinc/40/75/43/993407543.db2.gz MNNNUTINCUKIEC-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001576731628 993407547 /nfs/dbraw/zinc/40/75/47/993407547.db2.gz MNNNUTINCUKIEC-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C[C@@H]1C[NH3+] ZINC001576731680 993408737 /nfs/dbraw/zinc/40/87/37/993408737.db2.gz MVSLRVJEHNTKJU-SRVKXCTJSA-N 2 1 242.363 1.055 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1COC(C)(C)O1 ZINC001576749615 993415090 /nfs/dbraw/zinc/41/50/90/993415090.db2.gz SPOMAIZXFOWODM-DDHJBXDOSA-N 2 1 242.363 1.114 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@H]1[NH3+] ZINC001576806043 993427611 /nfs/dbraw/zinc/42/76/11/993427611.db2.gz ALWITKBWAFVTNM-ZMJPVWNMSA-N 2 1 248.374 1.193 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C[C@@H]1CCC[NH2+]C1 ZINC001576806094 993430077 /nfs/dbraw/zinc/43/00/77/993430077.db2.gz BGTBJKWNSHSIJM-RWMBFGLXSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCOC[C@H]1C ZINC001576854452 993436983 /nfs/dbraw/zinc/43/69/83/993436983.db2.gz MVZUKEXAFHFCGR-DDHJBXDOSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1c2cccn2CC[N@H+]1CC1(C[NH3+])CCC1 ZINC001576915446 993455237 /nfs/dbraw/zinc/45/52/37/993455237.db2.gz VQQMVZBKQWBLLD-GFCCVEGCSA-N 2 1 233.359 1.994 20 0 BDADMP C[C@@H]1c2cccn2CC[N@@H+]1CC1(C[NH3+])CCC1 ZINC001576915446 993455241 /nfs/dbraw/zinc/45/52/41/993455241.db2.gz VQQMVZBKQWBLLD-GFCCVEGCSA-N 2 1 233.359 1.994 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC001576967737 993466757 /nfs/dbraw/zinc/46/67/57/993466757.db2.gz WTICSYKAABKKBH-SDDRHHMPSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@@H](C)C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(=O)OC ZINC001576984252 993479283 /nfs/dbraw/zinc/47/92/83/993479283.db2.gz IPRWAKBJRXESNG-WISYIIOYSA-N 2 1 242.363 1.291 20 0 BDADMP CCC(CC)(C[NH3+])CN[C@H]1CC[N@@H+](C)[C@H]1C ZINC001577052139 993489968 /nfs/dbraw/zinc/48/99/68/993489968.db2.gz JSIVBUDEDLZHRD-RYUDHWBXSA-N 2 1 227.396 1.434 20 0 BDADMP CCC(CC)(C[NH3+])C[NH2+][C@H]1CCN(C)[C@H]1C ZINC001577052139 993489971 /nfs/dbraw/zinc/48/99/71/993489971.db2.gz JSIVBUDEDLZHRD-RYUDHWBXSA-N 2 1 227.396 1.434 20 0 BDADMP CCC(CC)(C[NH3+])C[N@H+](CC(N)=O)CC(C)C ZINC001577051760 993491293 /nfs/dbraw/zinc/49/12/93/993491293.db2.gz ZQWLNNRXCVKOAC-UHFFFAOYSA-N 2 1 243.395 1.195 20 0 BDADMP CC[C@H](COC)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001577093042 993502650 /nfs/dbraw/zinc/50/26/50/993502650.db2.gz NGAWCTKVGZFQOS-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)OC ZINC001577090694 993504072 /nfs/dbraw/zinc/50/40/72/993504072.db2.gz UQVGANZXOSWDQF-WDEREUQCSA-N 2 1 240.347 1.060 20 0 BDADMP C[N@H+]1CC[C@@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000383744444 993511645 /nfs/dbraw/zinc/51/16/45/993511645.db2.gz ITVYXDVWLLOIJK-LBPRGKRZSA-N 3 1 237.391 1.155 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(C)C[NH2+]CCO1)C1CC1 ZINC001577175843 993534274 /nfs/dbraw/zinc/53/42/74/993534274.db2.gz JRUKRYAAGNIKEF-RYUDHWBXSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@@]1(C)CCC[N@@H+](C[C@@]2(O)CC[NH2+]C2)C1 ZINC001577205654 993545691 /nfs/dbraw/zinc/54/56/91/993545691.db2.gz VVTYUEMRNDHTJA-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP CC[C@@]1(O)CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577233083 993552217 /nfs/dbraw/zinc/55/22/17/993552217.db2.gz DEVDPYKMKUDAJK-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)C[NH2+]C ZINC001577375253 993628261 /nfs/dbraw/zinc/62/82/61/993628261.db2.gz UPJVYWFYPJCAAE-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001577445145 993663606 /nfs/dbraw/zinc/66/36/06/993663606.db2.gz JQPSJWYJVKUXSS-MCIONIFRSA-N 3 1 241.423 1.824 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC001577445145 993663624 /nfs/dbraw/zinc/66/36/24/993663624.db2.gz JQPSJWYJVKUXSS-MCIONIFRSA-N 3 1 241.423 1.824 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH3+] ZINC001577445219 993665309 /nfs/dbraw/zinc/66/53/09/993665309.db2.gz MENMLIDISVVYHC-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP CCCC[N@@H+](CCO)CC1(C[NH3+])CCC1 ZINC001577454722 993667999 /nfs/dbraw/zinc/66/79/99/993667999.db2.gz MEUXBMPHDZWWBP-UHFFFAOYSA-N 2 1 214.353 1.210 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@](C)(O)C[NH2+]C ZINC001577504504 993671089 /nfs/dbraw/zinc/67/10/89/993671089.db2.gz SXZLDFNPYZKPGX-GFCCVEGCSA-N 2 1 216.369 1.325 20 0 BDADMP CCCNC(=O)CCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC001577538764 993682023 /nfs/dbraw/zinc/68/20/23/993682023.db2.gz KIEYOZCVKNRESY-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](C)CC2)C1 ZINC000389556274 993746945 /nfs/dbraw/zinc/74/69/45/993746945.db2.gz RQDSKVAODQWHBR-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000389556274 993746961 /nfs/dbraw/zinc/74/69/61/993746961.db2.gz RQDSKVAODQWHBR-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC000389556274 993746968 /nfs/dbraw/zinc/74/69/68/993746968.db2.gz RQDSKVAODQWHBR-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000389556274 993746974 /nfs/dbraw/zinc/74/69/74/993746974.db2.gz RQDSKVAODQWHBR-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP CCC(CC)[N@@H+](C)C[C@H](O)C[NH+](CC)CC ZINC000390459010 993786747 /nfs/dbraw/zinc/78/67/47/993786747.db2.gz BGGVNDCNZDVIOE-ZDUSSCGKSA-N 2 1 230.396 1.810 20 0 BDADMP Cc1ncc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)o1 ZINC000700841654 993855158 /nfs/dbraw/zinc/85/51/58/993855158.db2.gz DMTSTYALFIJGIZ-LLVKDONJSA-N 2 1 223.320 1.544 20 0 BDADMP Cc1ncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)o1 ZINC000700841654 993855164 /nfs/dbraw/zinc/85/51/64/993855164.db2.gz DMTSTYALFIJGIZ-LLVKDONJSA-N 2 1 223.320 1.544 20 0 BDADMP CC(C)O[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658434 993896139 /nfs/dbraw/zinc/89/61/39/993896139.db2.gz RXAVVATYAOYZHH-UPJWGTAASA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)(CO)CCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000393379026 993939840 /nfs/dbraw/zinc/93/98/40/993939840.db2.gz OMVIVMCFHKTCDU-LLVKDONJSA-N 2 1 214.353 1.127 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCCC(C)(C)CO)CC1 ZINC000393370044 993940925 /nfs/dbraw/zinc/94/09/25/993940925.db2.gz DSSQQYQBMPSTAC-ZDUSSCGKSA-N 2 1 242.407 1.859 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](CC1CC1)C1CC1 ZINC000393859764 994018136 /nfs/dbraw/zinc/01/81/36/994018136.db2.gz FKZZRQHZYXFVAY-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+]1CC[C@@H](NCC[NH+]2CCCCCC2)C1 ZINC000393936425 994022680 /nfs/dbraw/zinc/02/26/80/994022680.db2.gz PLZUMKMLRVWPQE-CQSZACIVSA-N 2 1 239.407 1.546 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCCCCC2)C1 ZINC000393936425 994022688 /nfs/dbraw/zinc/02/26/88/994022688.db2.gz PLZUMKMLRVWPQE-CQSZACIVSA-N 2 1 239.407 1.546 20 0 BDADMP COC[C@@H]1CCC[N@H+]1Cc1cnc(C)[nH]1 ZINC000724784991 994074241 /nfs/dbraw/zinc/07/42/41/994074241.db2.gz YCUGCUQHUVSWET-NSHDSACASA-N 2 1 209.293 1.329 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCSC1 ZINC000822127073 994418117 /nfs/dbraw/zinc/41/81/17/994418117.db2.gz FFAKEAJWNZEFFH-NWDGAFQWSA-N 2 1 228.405 1.956 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)[nH+]1 ZINC001337888843 995223230 /nfs/dbraw/zinc/22/32/30/995223230.db2.gz UHKVKFXDTOIGKF-LDYMZIIASA-N 2 1 247.346 1.262 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)[nH+]1 ZINC001337888843 995223242 /nfs/dbraw/zinc/22/32/42/995223242.db2.gz UHKVKFXDTOIGKF-LDYMZIIASA-N 2 1 247.346 1.262 20 0 BDADMP COCC1([N@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000677988231 488169529 /nfs/dbraw/zinc/16/95/29/488169529.db2.gz ONKDSYGRBLRHIF-UHFFFAOYSA-N 2 1 223.320 1.302 20 0 BDADMP COCC1([N@@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000677988231 488169533 /nfs/dbraw/zinc/16/95/33/488169533.db2.gz ONKDSYGRBLRHIF-UHFFFAOYSA-N 2 1 223.320 1.302 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000161712620 349489431 /nfs/dbraw/zinc/48/94/31/349489431.db2.gz WGUUDUGLNSJTBR-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000161712620 349489436 /nfs/dbraw/zinc/48/94/36/349489436.db2.gz WGUUDUGLNSJTBR-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128102812 168328107 /nfs/dbraw/zinc/32/81/07/168328107.db2.gz SYNXIPMXSDPGEW-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000228076053 178004938 /nfs/dbraw/zinc/00/49/38/178004938.db2.gz IJCPGXCXHSQJGI-NXEZZACHSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000228076053 178004940 /nfs/dbraw/zinc/00/49/40/178004940.db2.gz IJCPGXCXHSQJGI-NXEZZACHSA-N 2 1 209.293 1.152 20 0 BDADMP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCCOCC3)CC[N@H+]2C1 ZINC000157464861 136213788 /nfs/dbraw/zinc/21/37/88/136213788.db2.gz KVJXTTURKVJTNR-MCIONIFRSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000422906629 398156859 /nfs/dbraw/zinc/15/68/59/398156859.db2.gz VPTMOMUSGRKWJZ-QMMMGPOBSA-N 2 1 226.270 1.662 20 0 BDADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000379841926 398173673 /nfs/dbraw/zinc/17/36/73/398173673.db2.gz DEFMTCJKDMAKNV-SDDRHHMPSA-N 2 1 210.365 1.820 20 0 BDADMP CO[C@@](C)(C[NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000380115566 398187487 /nfs/dbraw/zinc/18/74/87/398187487.db2.gz LPOUXAMDPRMONK-ZDUSSCGKSA-N 2 1 237.347 1.596 20 0 BDADMP C[N@@H+](CCCCCF)C1CC[NH2+]CC1 ZINC000336686708 398188681 /nfs/dbraw/zinc/18/86/81/398188681.db2.gz LWRTXVQIPSNLAU-UHFFFAOYSA-N 2 1 202.317 1.810 20 0 BDADMP Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)nc(C)[nH+]1 ZINC000302541973 178101355 /nfs/dbraw/zinc/10/13/55/178101355.db2.gz OCGGGGAVIPUAHA-MFKMUULPSA-N 2 1 248.374 1.870 20 0 BDADMP Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)nc(C)[nH+]1 ZINC000302541973 178101358 /nfs/dbraw/zinc/10/13/58/178101358.db2.gz OCGGGGAVIPUAHA-MFKMUULPSA-N 2 1 248.374 1.870 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000342805881 365559612 /nfs/dbraw/zinc/55/96/12/365559612.db2.gz KXEDSFGEZFWNDR-AGIUHOORSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](c1ccncc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000649415995 398216486 /nfs/dbraw/zinc/21/64/86/398216486.db2.gz GWLMPQVOJYUEGB-LLVKDONJSA-N 2 1 219.332 1.956 20 0 BDADMP CCN(C)C[C@H](O)C[NH+]1CC(C2CCCC2)C1 ZINC000576359755 365577218 /nfs/dbraw/zinc/57/72/18/365577218.db2.gz LGFURLMUOYJBKR-AWEZNQCLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C2CCCC2)C1 ZINC000576359755 365577220 /nfs/dbraw/zinc/57/72/20/365577220.db2.gz LGFURLMUOYJBKR-AWEZNQCLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C2CCCC2)C1 ZINC000576359755 365577223 /nfs/dbraw/zinc/57/72/23/365577223.db2.gz LGFURLMUOYJBKR-AWEZNQCLSA-N 2 1 240.391 1.421 20 0 BDADMP CN(CC[N@@H+](C)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000649413010 398211352 /nfs/dbraw/zinc/21/13/52/398211352.db2.gz HKHADRCPGJGDBN-CQSZACIVSA-N 2 1 247.386 1.664 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000649414032 398211908 /nfs/dbraw/zinc/21/19/08/398211908.db2.gz CEIGYEYQSDQGFC-CYBMUJFWSA-N 2 1 236.363 1.475 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000649414032 398211910 /nfs/dbraw/zinc/21/19/10/398211910.db2.gz CEIGYEYQSDQGFC-CYBMUJFWSA-N 2 1 236.363 1.475 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cc[nH]n1 ZINC000649413525 398212158 /nfs/dbraw/zinc/21/21/58/398212158.db2.gz DDIJDZZJNCSLBT-UHFFFAOYSA-N 2 1 236.363 1.621 20 0 BDADMP Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)cc[nH+]1 ZINC000274805049 178168372 /nfs/dbraw/zinc/16/83/72/178168372.db2.gz LGBHLHXPWCBQGA-ZDUSSCGKSA-N 2 1 248.374 1.438 20 0 BDADMP Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)nc(C)[nH+]1 ZINC000129508385 178188764 /nfs/dbraw/zinc/18/87/64/178188764.db2.gz MKJVOZOMNCSYED-KOLCDFICSA-N 2 1 220.320 1.646 20 0 BDADMP C[C@](C[NH3+])([NH2+]Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000430563837 398227931 /nfs/dbraw/zinc/22/79/31/398227931.db2.gz XGADEYKNOUBQSG-CQSZACIVSA-N 2 1 247.342 1.003 20 0 BDADMP Cc1cc([C@@H]2CCC[N@H+]2CCOCC[NH3+])on1 ZINC000357079936 178240750 /nfs/dbraw/zinc/24/07/50/178240750.db2.gz LSOGRNNADPIIIK-NSHDSACASA-N 2 1 239.319 1.095 20 0 BDADMP c1cn(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000161989893 349528523 /nfs/dbraw/zinc/52/85/23/349528523.db2.gz QEINNCUEJPYFNF-AWEZNQCLSA-N 3 1 248.374 1.301 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1 ZINC000094010901 398244241 /nfs/dbraw/zinc/24/42/41/398244241.db2.gz JJUHZLBAEXOZKG-AWEZNQCLSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000286036755 538943085 /nfs/dbraw/zinc/94/30/85/538943085.db2.gz KKDSYFBPNWUOKS-GHMZBOCLSA-N 2 1 247.346 1.902 20 0 BDADMP C[NH2+]CCC[N@@H+](CCOC)C1CCCC1 ZINC000381506716 398253752 /nfs/dbraw/zinc/25/37/52/398253752.db2.gz SUYYTOANTJUAPZ-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP CCC[C@@H](C[NH2+]CCn1cc[nH+]c1C)OC ZINC000382101397 398256094 /nfs/dbraw/zinc/25/60/94/398256094.db2.gz GTISETAYIIZRAK-LBPRGKRZSA-N 2 1 225.336 1.596 20 0 BDADMP CC[N@H+]1CC[C@H](CNCc2snnc2C)C1 ZINC000381628090 398267662 /nfs/dbraw/zinc/26/76/62/398267662.db2.gz LYCSIGHSTVJFSB-SNVBAGLBSA-N 2 1 240.376 1.278 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000259167589 349560452 /nfs/dbraw/zinc/56/04/52/349560452.db2.gz YMVZIIVZJLSDQT-UHFFFAOYSA-N 3 1 233.359 1.329 20 0 BDADMP C[NH+]1CCC(NCc2ccc(C[NH3+])cc2)CC1 ZINC000259167589 349560454 /nfs/dbraw/zinc/56/04/54/349560454.db2.gz YMVZIIVZJLSDQT-UHFFFAOYSA-N 2 1 233.359 1.329 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000166660994 361854739 /nfs/dbraw/zinc/85/47/39/361854739.db2.gz FZXJKIZNJWTHPY-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000530513237 342801377 /nfs/dbraw/zinc/80/13/77/342801377.db2.gz VCAXDBCJNYYSQA-LBPRGKRZSA-N 2 1 239.363 1.613 20 0 BDADMP OC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000097678131 342816612 /nfs/dbraw/zinc/81/66/12/342816612.db2.gz XVVFDLHLVNCLAU-CLRIEMFWSA-N 2 1 238.375 1.506 20 0 BDADMP OC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000097678131 342816613 /nfs/dbraw/zinc/81/66/13/342816613.db2.gz XVVFDLHLVNCLAU-CLRIEMFWSA-N 2 1 238.375 1.506 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](CCCO)C1CC1 ZINC000380462213 538990454 /nfs/dbraw/zinc/99/04/54/538990454.db2.gz KBTWMMNVRSLYCC-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](CCCO)C1CC1 ZINC000380462213 538990455 /nfs/dbraw/zinc/99/04/55/538990455.db2.gz KBTWMMNVRSLYCC-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1cc(N2CC[C@H](C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000189400972 538982839 /nfs/dbraw/zinc/98/28/39/538982839.db2.gz NWPHOIRJPYRIMV-GFCCVEGCSA-N 2 1 234.347 1.481 20 0 BDADMP C[N@H+]1CC[C@H](NC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000335626073 136240914 /nfs/dbraw/zinc/24/09/14/136240914.db2.gz XDYWCVFTUKMIKG-DZGCQCFKSA-N 2 1 245.370 1.383 20 0 BDADMP C[N@@H+](CCCn1ccnc1)CC1CCOCC1 ZINC000162301241 349628102 /nfs/dbraw/zinc/62/81/02/349628102.db2.gz AZJGUCJGDIDKNW-UHFFFAOYSA-N 2 1 237.347 1.632 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCF ZINC000127015717 342864776 /nfs/dbraw/zinc/86/47/76/342864776.db2.gz DIQLJVSNTUDVEO-OUAUKWLOSA-N 2 1 202.317 1.664 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631136068 342920357 /nfs/dbraw/zinc/92/03/57/342920357.db2.gz QZZAEBFEHQQOHI-ZDUSSCGKSA-N 2 1 249.358 1.751 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631136068 342920359 /nfs/dbraw/zinc/92/03/59/342920359.db2.gz QZZAEBFEHQQOHI-ZDUSSCGKSA-N 2 1 249.358 1.751 20 0 BDADMP Cc1c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cnn1C ZINC000234330847 342921360 /nfs/dbraw/zinc/92/13/60/342921360.db2.gz VTSOFBDFTLPGHR-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cnn1C ZINC000234330847 342921361 /nfs/dbraw/zinc/92/13/61/342921361.db2.gz VTSOFBDFTLPGHR-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336258001 398325460 /nfs/dbraw/zinc/32/54/60/398325460.db2.gz QBGSMDOCVARVQH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336258001 398325463 /nfs/dbraw/zinc/32/54/63/398325463.db2.gz QBGSMDOCVARVQH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336258001 398325466 /nfs/dbraw/zinc/32/54/66/398325466.db2.gz QBGSMDOCVARVQH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394341305 398336526 /nfs/dbraw/zinc/33/65/26/398336526.db2.gz XWFJNTRXAGGCNS-QNMSZWNNSA-N 2 1 240.391 1.704 20 0 BDADMP CCC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394341305 398336527 /nfs/dbraw/zinc/33/65/27/398336527.db2.gz XWFJNTRXAGGCNS-QNMSZWNNSA-N 2 1 240.391 1.704 20 0 BDADMP CCC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394341305 398336528 /nfs/dbraw/zinc/33/65/28/398336528.db2.gz XWFJNTRXAGGCNS-QNMSZWNNSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H](O)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000037687784 398333990 /nfs/dbraw/zinc/33/39/90/398333990.db2.gz NUGXNGJSFXYIAC-CYBMUJFWSA-N 2 1 236.359 1.479 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000358146543 398339254 /nfs/dbraw/zinc/33/92/54/398339254.db2.gz DGEAGZFKWBANNC-RFQIPJPRSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1ccc([C@H]([NH2+]CC[NH3+])C2CC2)cc1 ZINC000037712918 342942917 /nfs/dbraw/zinc/94/29/17/342942917.db2.gz ISOSLXLVZRHFSO-ZDUSSCGKSA-N 2 1 204.317 1.994 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228074893 398340898 /nfs/dbraw/zinc/34/08/98/398340898.db2.gz WWQCWEMEGJKIDX-KCJUWKMLSA-N 2 1 223.320 1.461 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@H+]1C ZINC000335771564 398342385 /nfs/dbraw/zinc/34/23/85/398342385.db2.gz HZGWWEOKHZFDLY-TZMCWYRMSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CC[NH+]1C ZINC000335771564 398342386 /nfs/dbraw/zinc/34/23/86/398342386.db2.gz HZGWWEOKHZFDLY-TZMCWYRMSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC[NH+]1C ZINC000335771564 398342387 /nfs/dbraw/zinc/34/23/87/398342387.db2.gz HZGWWEOKHZFDLY-TZMCWYRMSA-N 3 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CCN1C ZINC000335771564 398342388 /nfs/dbraw/zinc/34/23/88/398342388.db2.gz HZGWWEOKHZFDLY-TZMCWYRMSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCN1C ZINC000335771564 398342389 /nfs/dbraw/zinc/34/23/89/398342389.db2.gz HZGWWEOKHZFDLY-TZMCWYRMSA-N 2 1 237.391 1.321 20 0 BDADMP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000177944788 536666566 /nfs/dbraw/zinc/66/65/66/536666566.db2.gz IVFKVAKCPRADMW-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CCO)C1 ZINC000678075737 488191318 /nfs/dbraw/zinc/19/13/18/488191318.db2.gz NYRUHSRJLSKCRM-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCCCF)CCCO1 ZINC000313395540 259334571 /nfs/dbraw/zinc/33/45/71/259334571.db2.gz PJINBJWKTMQZJZ-NSHDSACASA-N 2 1 218.316 1.176 20 0 BDADMP CC[C@@]1(O)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000495259541 529573669 /nfs/dbraw/zinc/57/36/69/529573669.db2.gz APGXOXLCYNSNJG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(O)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000495259541 529573673 /nfs/dbraw/zinc/57/36/73/529573673.db2.gz APGXOXLCYNSNJG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(O)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000495259541 529573676 /nfs/dbraw/zinc/57/36/76/529573676.db2.gz APGXOXLCYNSNJG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP COCC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211958892 343017439 /nfs/dbraw/zinc/01/74/39/343017439.db2.gz GXUOMYWCZPXVPN-UHFFFAOYSA-N 2 1 234.343 1.411 20 0 BDADMP CCCC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000309223010 259342033 /nfs/dbraw/zinc/34/20/33/259342033.db2.gz HCBIHIUSADJJRE-STQMWFEESA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000309223010 259342034 /nfs/dbraw/zinc/34/20/34/259342034.db2.gz HCBIHIUSADJJRE-STQMWFEESA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000309223010 259342036 /nfs/dbraw/zinc/34/20/36/259342036.db2.gz HCBIHIUSADJJRE-STQMWFEESA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000309223010 259342038 /nfs/dbraw/zinc/34/20/38/259342038.db2.gz HCBIHIUSADJJRE-STQMWFEESA-N 2 1 230.396 1.810 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000381908686 346922426 /nfs/dbraw/zinc/92/24/26/346922426.db2.gz AIJVORZDXGFITB-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000576838968 365701826 /nfs/dbraw/zinc/70/18/26/365701826.db2.gz XEQAKTCJDFIHGE-MELADBBJSA-N 2 1 241.423 1.966 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000576864667 365707652 /nfs/dbraw/zinc/70/76/52/365707652.db2.gz RKUQKOQRGXYJNP-SNVBAGLBSA-N 2 1 231.303 1.133 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000576864667 365707656 /nfs/dbraw/zinc/70/76/56/365707656.db2.gz RKUQKOQRGXYJNP-SNVBAGLBSA-N 2 1 231.303 1.133 20 0 BDADMP CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000034321164 343074581 /nfs/dbraw/zinc/07/45/81/343074581.db2.gz LXXPARBRKZRGHB-AWEZNQCLSA-N 2 1 234.343 1.185 20 0 BDADMP C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000034321164 343074583 /nfs/dbraw/zinc/07/45/83/343074583.db2.gz LXXPARBRKZRGHB-AWEZNQCLSA-N 2 1 234.343 1.185 20 0 BDADMP C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000034321164 343074586 /nfs/dbraw/zinc/07/45/86/343074586.db2.gz LXXPARBRKZRGHB-AWEZNQCLSA-N 2 1 234.343 1.185 20 0 BDADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000232474612 136270917 /nfs/dbraw/zinc/27/09/17/136270917.db2.gz SQMVOLSHYAIKCP-LBPRGKRZSA-N 2 1 202.301 1.105 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000120562233 343126861 /nfs/dbraw/zinc/12/68/61/343126861.db2.gz MPKLCWJWKGOZPX-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP Cc1c(C[N@@H+](C)CC2CC[NH2+]CC2)cnn1C ZINC000094011032 343152510 /nfs/dbraw/zinc/15/25/10/343152510.db2.gz VLEBJDANFJHYLG-UHFFFAOYSA-N 2 1 236.363 1.160 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000124709589 343164389 /nfs/dbraw/zinc/16/43/89/343164389.db2.gz OVLMGPJUPWOGPH-GFCCVEGCSA-N 2 1 224.348 1.265 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000576976297 365740452 /nfs/dbraw/zinc/74/04/52/365740452.db2.gz UUQAXQGWLAHTGG-YPMHNXCESA-N 2 1 236.363 1.681 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)O1 ZINC000634688491 343247885 /nfs/dbraw/zinc/24/78/85/343247885.db2.gz UMMMRWYGDUSARF-GMTAPVOTSA-N 2 1 214.353 1.517 20 0 BDADMP Cn1nccc1CC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000634688659 343248702 /nfs/dbraw/zinc/24/87/02/343248702.db2.gz ZVWJPAIKFUEBJW-LBPRGKRZSA-N 2 1 236.363 1.166 20 0 BDADMP Cn1nccc1CC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000634688659 343248703 /nfs/dbraw/zinc/24/87/03/343248703.db2.gz ZVWJPAIKFUEBJW-LBPRGKRZSA-N 2 1 236.363 1.166 20 0 BDADMP COCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626472 343286081 /nfs/dbraw/zinc/28/60/81/343286081.db2.gz PRSDEBFVJRMSHM-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP Cc1nccn1CCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000348754941 136297232 /nfs/dbraw/zinc/29/72/32/136297232.db2.gz DTPNKGQRFFTKLJ-WCQYABFASA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000348754941 136297233 /nfs/dbraw/zinc/29/72/33/136297233.db2.gz DTPNKGQRFFTKLJ-WCQYABFASA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000348754941 136297234 /nfs/dbraw/zinc/29/72/34/136297234.db2.gz DTPNKGQRFFTKLJ-WCQYABFASA-N 3 1 236.363 1.251 20 0 BDADMP Cc1nccn1CCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000348756354 136297543 /nfs/dbraw/zinc/29/75/43/136297543.db2.gz NUTQFUZYJFZTFQ-YPMHNXCESA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000348756354 136297544 /nfs/dbraw/zinc/29/75/44/136297544.db2.gz NUTQFUZYJFZTFQ-YPMHNXCESA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000348756354 136297545 /nfs/dbraw/zinc/29/75/45/136297545.db2.gz NUTQFUZYJFZTFQ-YPMHNXCESA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCCN1CCC[C@H]([NH3+])C1 ZINC000348755911 136297569 /nfs/dbraw/zinc/29/75/69/136297569.db2.gz JXXKKUNXCQKXRE-LBPRGKRZSA-N 2 1 222.336 1.005 20 0 BDADMP Cc1[nH+]ccn1CCCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000348757460 136297836 /nfs/dbraw/zinc/29/78/36/136297836.db2.gz VPVZWPVUMDJPCI-CQSZACIVSA-N 2 1 248.374 1.408 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166216115 136309443 /nfs/dbraw/zinc/30/94/43/136309443.db2.gz FSUJYXLUYMHCNL-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP CCSCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876610 349807343 /nfs/dbraw/zinc/80/73/43/349807343.db2.gz HGXHNQROEHNCLE-GFCCVEGCSA-N 2 1 246.420 1.128 20 0 BDADMP CSCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875795 349807396 /nfs/dbraw/zinc/80/73/96/349807396.db2.gz AKZMBRUZTSJADU-UHFFFAOYSA-N 2 1 228.405 1.767 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccnn1C ZINC000335694642 136326508 /nfs/dbraw/zinc/32/65/08/136326508.db2.gz IZWZYQAAIFBKRS-DGCLKSJQSA-N 2 1 236.363 1.192 20 0 BDADMP CC[N@H+](CCC[NH+](C)C)CC1=CCCOC1 ZINC000349422918 136345595 /nfs/dbraw/zinc/34/55/95/136345595.db2.gz WNNUEGSBJPPSHV-UHFFFAOYSA-N 2 1 226.364 1.607 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)CC1=CCCOC1 ZINC000349422918 136345596 /nfs/dbraw/zinc/34/55/96/136345596.db2.gz WNNUEGSBJPPSHV-UHFFFAOYSA-N 2 1 226.364 1.607 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000166370418 136352302 /nfs/dbraw/zinc/35/23/02/136352302.db2.gz BCQBUUXAKQUQPI-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CC2)C1 ZINC000335703606 136334927 /nfs/dbraw/zinc/33/49/27/136334927.db2.gz YCRZKPHNBSZFKO-STQMWFEESA-N 2 1 208.349 1.813 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335714711 136338510 /nfs/dbraw/zinc/33/85/10/136338510.db2.gz KAOGEHBDOFFULL-CQSZACIVSA-N 2 1 231.343 1.922 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335718505 136340514 /nfs/dbraw/zinc/34/05/14/136340514.db2.gz PUHRSNUIIOJHQP-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349335241 136342219 /nfs/dbraw/zinc/34/22/19/136342219.db2.gz UIMYUCNJISLLNC-UONOGXRCSA-N 2 1 239.407 1.212 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)CC(C)(C)C[NH3+] ZINC000082545353 343447300 /nfs/dbraw/zinc/44/73/00/343447300.db2.gz HCIPTUWNFSNUPE-NSHDSACASA-N 2 1 214.353 1.330 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335854128 136355640 /nfs/dbraw/zinc/35/56/40/136355640.db2.gz VTOGQOSFSVYIPY-BLYZHGLHSA-N 2 1 238.375 1.770 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)[C@H]1C1CC1 ZINC000570060689 323048946 /nfs/dbraw/zinc/04/89/46/323048946.db2.gz OHIXZIUWJZLTHL-CHWSQXEVSA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)[C@H]1C1CC1 ZINC000570060689 323048949 /nfs/dbraw/zinc/04/89/49/323048949.db2.gz OHIXZIUWJZLTHL-CHWSQXEVSA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)[C@H]1C1CC1 ZINC000570060689 323048950 /nfs/dbraw/zinc/04/89/50/323048950.db2.gz OHIXZIUWJZLTHL-CHWSQXEVSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000570060689 323048951 /nfs/dbraw/zinc/04/89/51/323048951.db2.gz OHIXZIUWJZLTHL-CHWSQXEVSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000570060689 323048952 /nfs/dbraw/zinc/04/89/52/323048952.db2.gz OHIXZIUWJZLTHL-CHWSQXEVSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000044500604 343504352 /nfs/dbraw/zinc/50/43/52/343504352.db2.gz JGYSYZXSKHNGMC-QWRGUYRKSA-N 2 1 224.352 1.411 20 0 BDADMP COC[C@@]1(C)CC[N@@H+](Cc2cnc(C)n2C)C1 ZINC000668203372 488223444 /nfs/dbraw/zinc/22/34/44/488223444.db2.gz GQLLEDSFFMHOJC-ZDUSSCGKSA-N 2 1 237.347 1.587 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000049330117 343596200 /nfs/dbraw/zinc/59/62/00/343596200.db2.gz MNCIOXBENLVVLT-JQWIXIFHSA-N 2 1 223.320 1.349 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)[C@H](C)C1 ZINC000624257619 343620128 /nfs/dbraw/zinc/62/01/28/343620128.db2.gz KMIKIVDLTZEVCS-DGCLKSJQSA-N 2 1 249.358 1.607 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000049557624 343602590 /nfs/dbraw/zinc/60/25/90/343602590.db2.gz JRBNXPKVRZUDQU-LLVKDONJSA-N 2 1 249.358 1.215 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CSC2(C)C)CC1 ZINC000309057801 346959093 /nfs/dbraw/zinc/95/90/93/346959093.db2.gz VEQDNZZDIOINOX-NSHDSACASA-N 2 1 228.405 1.954 20 0 BDADMP CCc1cc(NC[C@](C)([NH3+])COC)nc(C)[nH+]1 ZINC000272837753 537813080 /nfs/dbraw/zinc/81/30/80/537813080.db2.gz HWUHIHSZIQVASM-LBPRGKRZSA-N 2 1 238.335 1.123 20 0 BDADMP C[C@@]1(C[N@@H+]2CCO[C@@H](C(F)F)CC2)CC[NH2+]C1 ZINC000634732370 344107117 /nfs/dbraw/zinc/10/71/17/344107117.db2.gz DUAYGUIMOVOFFG-ZYHUDNBSSA-N 2 1 248.317 1.342 20 0 BDADMP C[C@@]1(C[N@H+]2CCO[C@@H](C(F)F)CC2)CC[NH2+]C1 ZINC000634732370 344107119 /nfs/dbraw/zinc/10/71/19/344107119.db2.gz DUAYGUIMOVOFFG-ZYHUDNBSSA-N 2 1 248.317 1.342 20 0 BDADMP CC(C)[C@@H](C[NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733534 344113126 /nfs/dbraw/zinc/11/31/26/344113126.db2.gz HMUPIXVRVMAEJG-QWHCGFSZSA-N 2 1 241.423 1.585 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842307 344093703 /nfs/dbraw/zinc/09/37/03/344093703.db2.gz ZYTUBUKOXXZAEA-CYBMUJFWSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842307 344093705 /nfs/dbraw/zinc/09/37/05/344093705.db2.gz ZYTUBUKOXXZAEA-CYBMUJFWSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842308 344093918 /nfs/dbraw/zinc/09/39/18/344093918.db2.gz ZYTUBUKOXXZAEA-ZDUSSCGKSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842308 344093921 /nfs/dbraw/zinc/09/39/21/344093921.db2.gz ZYTUBUKOXXZAEA-ZDUSSCGKSA-N 2 1 226.364 1.314 20 0 BDADMP c1ncc(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000131623747 344232697 /nfs/dbraw/zinc/23/26/97/344232697.db2.gz RNRBNRRBXNBKEL-UHFFFAOYSA-N 2 1 211.334 1.375 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000133506847 344319676 /nfs/dbraw/zinc/31/96/76/344319676.db2.gz WZCJJXFMTSUZLY-GHMZBOCLSA-N 2 1 200.326 1.223 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCC(=O)OC ZINC000600703137 344359733 /nfs/dbraw/zinc/35/97/33/344359733.db2.gz LLXXPVRBJPPIPH-LLVKDONJSA-N 2 1 228.336 1.014 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCC(=O)OC ZINC000600703137 344359734 /nfs/dbraw/zinc/35/97/34/344359734.db2.gz LLXXPVRBJPPIPH-LLVKDONJSA-N 2 1 228.336 1.014 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000600708211 344360793 /nfs/dbraw/zinc/36/07/93/344360793.db2.gz DOAJRFRZNZYDBU-RYUDHWBXSA-N 2 1 242.363 1.246 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000600712513 344361594 /nfs/dbraw/zinc/36/15/94/344361594.db2.gz XSYCTHCLANPDNO-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@H+]1CCCOCC(F)(F)F ZINC000385204547 344376333 /nfs/dbraw/zinc/37/63/33/344376333.db2.gz SYFKOEDAUPFZOF-BDAKNGLRSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCOCC(F)(F)F ZINC000385204547 344376334 /nfs/dbraw/zinc/37/63/34/344376334.db2.gz SYFKOEDAUPFZOF-BDAKNGLRSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCOCC(F)(F)F ZINC000385204547 344376337 /nfs/dbraw/zinc/37/63/37/344376337.db2.gz SYFKOEDAUPFZOF-BDAKNGLRSA-N 2 1 240.269 1.377 20 0 BDADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000215643923 344390152 /nfs/dbraw/zinc/39/01/52/344390152.db2.gz FTRAIYJCIIQBOF-ZDUSSCGKSA-N 2 1 230.355 1.978 20 0 BDADMP Cc1nc(N[C@@H]2CCC[NH2+]CC2)c(C)c(C)[nH+]1 ZINC000634813394 344397953 /nfs/dbraw/zinc/39/79/53/344397953.db2.gz JFZVYBBXAFBXPO-GFCCVEGCSA-N 2 1 234.347 1.956 20 0 BDADMP CN(C)c1nccc(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000085431556 344532366 /nfs/dbraw/zinc/53/23/66/344532366.db2.gz CFJKRGRZTCGQLH-SNVBAGLBSA-N 2 1 247.346 1.191 20 0 BDADMP Cn1cncc1CCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000577504974 344533808 /nfs/dbraw/zinc/53/38/08/344533808.db2.gz AAOMFXDGBUZTHE-KBPBESRZSA-N 2 1 249.358 1.606 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000577504974 344533809 /nfs/dbraw/zinc/53/38/09/344533809.db2.gz AAOMFXDGBUZTHE-KBPBESRZSA-N 2 1 249.358 1.606 20 0 BDADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309459695 347067943 /nfs/dbraw/zinc/06/79/43/347067943.db2.gz NNTYSOIMONLKGJ-YNEHKIRRSA-N 2 1 230.396 1.713 20 0 BDADMP CSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128043414 344725182 /nfs/dbraw/zinc/72/51/82/344725182.db2.gz UDCNLRBJXQEVKE-GHMZBOCLSA-N 2 1 214.378 1.566 20 0 BDADMP CN(C)c1nc(NC[C@@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC000077490078 344820832 /nfs/dbraw/zinc/82/08/32/344820832.db2.gz XHSFEAKYGIVCEQ-NSHDSACASA-N 2 1 249.362 1.295 20 0 BDADMP CCc1cc(N2CC[C@H](C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000272927943 537863711 /nfs/dbraw/zinc/86/37/11/537863711.db2.gz UZPGVTXIVDYPQP-GFCCVEGCSA-N 2 1 248.374 1.735 20 0 BDADMP Cn1cncc1CCC[N@@H+](CCO)CC1CC1 ZINC000583389859 344875028 /nfs/dbraw/zinc/87/50/28/344875028.db2.gz YLVDGNCNYZQLOP-UHFFFAOYSA-N 2 1 237.347 1.057 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](CCO)CC1CC1 ZINC000583389859 344875030 /nfs/dbraw/zinc/87/50/30/344875030.db2.gz YLVDGNCNYZQLOP-UHFFFAOYSA-N 2 1 237.347 1.057 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)CC1CC1 ZINC000583389859 344875031 /nfs/dbraw/zinc/87/50/31/344875031.db2.gz YLVDGNCNYZQLOP-UHFFFAOYSA-N 2 1 237.347 1.057 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074729 345123657 /nfs/dbraw/zinc/12/36/57/345123657.db2.gz SROXFHWZBBOLIB-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H](C[NH3+])C(C)C ZINC000634996607 345190452 /nfs/dbraw/zinc/19/04/52/345190452.db2.gz PEBRTNNOTJPJAA-VXGBXAGGSA-N 3 1 215.385 1.180 20 0 BDADMP c1c[nH+]c(C2CCN(CC34CC(C3)C[NH2+]4)CC2)[nH]1 ZINC000634992726 345180923 /nfs/dbraw/zinc/18/09/23/345180923.db2.gz YURIDNLOTANMOG-UHFFFAOYSA-N 2 1 246.358 1.341 20 0 BDADMP Cc1cccc(CC[NH2+]CC23CC(C2)C[NH2+]3)n1 ZINC000634996842 345184229 /nfs/dbraw/zinc/18/42/29/345184229.db2.gz WWJYLAJEYBQLHB-UHFFFAOYSA-N 2 1 231.343 1.274 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccon1 ZINC000634964014 345137785 /nfs/dbraw/zinc/13/77/85/345137785.db2.gz LATJQBGSZZRABU-UHFFFAOYSA-N 2 1 234.303 1.750 20 0 BDADMP C([N@@H+]1CCC2(CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993205 345189088 /nfs/dbraw/zinc/18/90/88/345189088.db2.gz NJFOTRMMQJCHST-UHFFFAOYSA-N 2 1 206.333 1.614 20 0 BDADMP C([N@H+]1CCC2(CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993205 345189090 /nfs/dbraw/zinc/18/90/90/345189090.db2.gz NJFOTRMMQJCHST-UHFFFAOYSA-N 2 1 206.333 1.614 20 0 BDADMP C([N@H+]1CC[C@H]2CCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634994244 345192888 /nfs/dbraw/zinc/19/28/88/345192888.db2.gz WSXAYJPWMGFTFK-QBHFIFKDSA-N 2 1 206.333 1.613 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000634997596 345197665 /nfs/dbraw/zinc/19/76/65/345197665.db2.gz OOVGMDMKYVSEMM-SRVKXCTJSA-N 2 1 208.349 1.907 20 0 BDADMP COc1ccsc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999516 345200049 /nfs/dbraw/zinc/20/00/49/345200049.db2.gz VUSOTKALISAHFL-VHSXEESVSA-N 2 1 240.372 1.783 20 0 BDADMP CC(C)(F)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000635002964 345205677 /nfs/dbraw/zinc/20/56/77/345205677.db2.gz CLAVCRIJHBFHRG-UWVGGRQHSA-N 2 1 202.317 1.984 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1C ZINC000635007590 345206182 /nfs/dbraw/zinc/20/61/82/345206182.db2.gz RLWNHFLSUAENOE-SYQHCUMBSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1C ZINC000635007590 345206183 /nfs/dbraw/zinc/20/61/83/345206183.db2.gz RLWNHFLSUAENOE-SYQHCUMBSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635003635 345206454 /nfs/dbraw/zinc/20/64/54/345206454.db2.gz BCSCFDHWBMKPTE-KCQAQPDRSA-N 3 1 249.402 1.662 20 0 BDADMP c1cc(CNC2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000635004100 345207165 /nfs/dbraw/zinc/20/71/65/345207165.db2.gz NDRBTVMYLFUNAC-UHFFFAOYSA-N 2 1 245.370 1.174 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000635009766 345212150 /nfs/dbraw/zinc/21/21/50/345212150.db2.gz ZIIBUGMLFQVTDU-AVGNSLFASA-N 2 1 239.407 1.482 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635008113 345215965 /nfs/dbraw/zinc/21/59/65/345215965.db2.gz ZNJZNKMHKXELRK-FPYNETTCSA-N 2 1 226.364 1.673 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(O)CC1 ZINC000158300111 345315377 /nfs/dbraw/zinc/31/53/77/345315377.db2.gz OCTJSUADQIYGGK-UHFFFAOYSA-N 2 1 249.358 1.541 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221677931 323090952 /nfs/dbraw/zinc/09/09/52/323090952.db2.gz KFMASHHLPACFIR-VWYCJHECSA-N 2 1 200.326 1.094 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221677931 323090953 /nfs/dbraw/zinc/09/09/53/323090953.db2.gz KFMASHHLPACFIR-VWYCJHECSA-N 2 1 200.326 1.094 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641707500 362618378 /nfs/dbraw/zinc/61/83/78/362618378.db2.gz FAKXOWCIMZXYKH-NSHDSACASA-N 2 1 234.347 1.095 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641707500 362618381 /nfs/dbraw/zinc/61/83/81/362618381.db2.gz FAKXOWCIMZXYKH-NSHDSACASA-N 2 1 234.347 1.095 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140196 345644866 /nfs/dbraw/zinc/64/48/66/345644866.db2.gz RLWZDVMSURPEOM-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000037887362 345766691 /nfs/dbraw/zinc/76/66/91/345766691.db2.gz JVLQPOUTXKIAMT-UHFFFAOYSA-N 2 1 240.391 1.756 20 0 BDADMP C[N@H+]1CC=C(C[NH2+]Cc2nccs2)CC1 ZINC000389832679 537915403 /nfs/dbraw/zinc/91/54/03/537915403.db2.gz AYFREHTUYMHEJP-UHFFFAOYSA-N 2 1 223.345 1.495 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2nccs2)CC1 ZINC000389832679 537915409 /nfs/dbraw/zinc/91/54/09/537915409.db2.gz AYFREHTUYMHEJP-UHFFFAOYSA-N 2 1 223.345 1.495 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000335919821 345875640 /nfs/dbraw/zinc/87/56/40/345875640.db2.gz DFKRBILIFASHJM-GFCCVEGCSA-N 2 1 226.364 1.628 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635948057 346120801 /nfs/dbraw/zinc/12/08/01/346120801.db2.gz QCOHQVVKDPGAHE-VXGBXAGGSA-N 2 1 243.395 1.173 20 0 BDADMP CSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309084466 349947625 /nfs/dbraw/zinc/94/76/25/349947625.db2.gz VKPDNIXMMFDQBW-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP CSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309084465 349947111 /nfs/dbraw/zinc/94/71/11/349947111.db2.gz VKPDNIXMMFDQBW-TUAOUCFPSA-N 2 1 228.405 1.812 20 0 BDADMP Cc1cccc(CC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041231922 179056992 /nfs/dbraw/zinc/05/69/92/179056992.db2.gz NERLIQYSKYIFND-UHFFFAOYSA-N 2 1 218.344 1.833 20 0 BDADMP Cc1cccc(CC[N@H+]2CCC[NH2+]CC2)c1 ZINC000041231922 179056995 /nfs/dbraw/zinc/05/69/95/179056995.db2.gz NERLIQYSKYIFND-UHFFFAOYSA-N 2 1 218.344 1.833 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798591 362744802 /nfs/dbraw/zinc/74/48/02/362744802.db2.gz JXHRPMVJFAUMLK-ZIAGYGMSSA-N 2 1 248.374 1.274 20 0 BDADMP CCc1nc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000641799666 362747877 /nfs/dbraw/zinc/74/78/77/362747877.db2.gz YTUKYOOIXBYMDE-ONGXEEELSA-N 2 1 237.347 1.715 20 0 BDADMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358158639 179093897 /nfs/dbraw/zinc/09/38/97/179093897.db2.gz BAZVYOIDKZMDQU-CQSZACIVSA-N 2 1 234.343 1.151 20 0 BDADMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358158639 179093899 /nfs/dbraw/zinc/09/38/99/179093899.db2.gz BAZVYOIDKZMDQU-CQSZACIVSA-N 2 1 234.343 1.151 20 0 BDADMP C[C@H]1CCCN(CCc2c[nH+]cn2C)[C@@H]1C[NH3+] ZINC000641797016 362741638 /nfs/dbraw/zinc/74/16/38/362741638.db2.gz PRTKKHPKGJFMNX-WCQYABFASA-N 2 1 236.363 1.022 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000580129085 346544814 /nfs/dbraw/zinc/54/48/14/346544814.db2.gz KGDWVOCNYAKOEE-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000580129085 346544816 /nfs/dbraw/zinc/54/48/16/346544816.db2.gz KGDWVOCNYAKOEE-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000053173556 346584932 /nfs/dbraw/zinc/58/49/32/346584932.db2.gz ZZWVQIIAXCRITD-SDDRHHMPSA-N 2 1 212.337 1.238 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000053173556 346584934 /nfs/dbraw/zinc/58/49/34/346584934.db2.gz ZZWVQIIAXCRITD-SDDRHHMPSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1cccc(N2CC[C@@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000162215103 179122823 /nfs/dbraw/zinc/12/28/23/179122823.db2.gz MXJVJLSFEVCABE-GHMZBOCLSA-N 2 1 205.305 1.564 20 0 BDADMP Cc1cccc(N2CC[C@H]([C@H](C)[NH3+])C2)[nH+]1 ZINC000228166098 179124096 /nfs/dbraw/zinc/12/40/96/179124096.db2.gz MXJVJLSFEVCABE-QWRGUYRKSA-N 2 1 205.305 1.564 20 0 BDADMP CC[C@H](C[NH2+]C[C@H](C)COC)[NH+]1CCCC1 ZINC000187656597 346595621 /nfs/dbraw/zinc/59/56/21/346595621.db2.gz BDNGAVPFGCJPQH-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000187668071 346596836 /nfs/dbraw/zinc/59/68/36/346596836.db2.gz OIDIIGHFMAOXTC-MCIONIFRSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000187668071 346596839 /nfs/dbraw/zinc/59/68/39/346596839.db2.gz OIDIIGHFMAOXTC-MCIONIFRSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000187668085 346596854 /nfs/dbraw/zinc/59/68/54/346596854.db2.gz OIDIIGHFMAOXTC-MJBXVCDLSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000187668085 346596857 /nfs/dbraw/zinc/59/68/57/346596857.db2.gz OIDIIGHFMAOXTC-MJBXVCDLSA-N 2 1 242.407 1.979 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C1CCSCC1 ZINC000168804512 346743654 /nfs/dbraw/zinc/74/36/54/346743654.db2.gz WYARSQZDHUENEU-SNVBAGLBSA-N 2 1 200.351 1.305 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C1CCSCC1 ZINC000168804512 346743658 /nfs/dbraw/zinc/74/36/58/346743658.db2.gz WYARSQZDHUENEU-SNVBAGLBSA-N 2 1 200.351 1.305 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2nccn21 ZINC000577191630 365870965 /nfs/dbraw/zinc/87/09/65/365870965.db2.gz RITUCCYQHMSITM-KKOKHZNYSA-N 2 1 234.347 1.748 20 0 BDADMP Cc1cccc(OCC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000042896934 179166861 /nfs/dbraw/zinc/16/68/61/179166861.db2.gz HZWVEZZJQQWAOQ-ZDUSSCGKSA-N 2 1 234.343 1.654 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000250603039 537987087 /nfs/dbraw/zinc/98/70/87/537987087.db2.gz KOMYMQCDAUTKKJ-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250603039 537987094 /nfs/dbraw/zinc/98/70/94/537987094.db2.gz KOMYMQCDAUTKKJ-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250603039 537987104 /nfs/dbraw/zinc/98/71/04/537987104.db2.gz KOMYMQCDAUTKKJ-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250603039 537987114 /nfs/dbraw/zinc/98/71/14/537987114.db2.gz KOMYMQCDAUTKKJ-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250603039 537987120 /nfs/dbraw/zinc/98/71/20/537987120.db2.gz KOMYMQCDAUTKKJ-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@@H](N)C[C@H]1C ZINC000601329061 347217467 /nfs/dbraw/zinc/21/74/67/347217467.db2.gz DOOPZLGPUJLQQI-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@@H](N)C[C@H]1C ZINC000601329061 347217472 /nfs/dbraw/zinc/21/74/72/347217472.db2.gz DOOPZLGPUJLQQI-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601329061 347217475 /nfs/dbraw/zinc/21/74/75/347217475.db2.gz DOOPZLGPUJLQQI-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601329061 347217479 /nfs/dbraw/zinc/21/74/79/347217479.db2.gz DOOPZLGPUJLQQI-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333184 347225036 /nfs/dbraw/zinc/22/50/36/347225036.db2.gz CCNZNHYPWJPLMW-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333187 347225554 /nfs/dbraw/zinc/22/55/54/347225554.db2.gz CCNZNHYPWJPLMW-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000119888798 347306400 /nfs/dbraw/zinc/30/64/00/347306400.db2.gz ZRFUEICMNGSVSF-ZYHUDNBSSA-N 2 1 212.337 1.238 20 0 BDADMP C[N@@H+]1C[C@H]2CN(CCc3ccccc3F)C[C@H]2C1 ZINC000193631489 347400634 /nfs/dbraw/zinc/40/06/34/347400634.db2.gz AZCADCQXNLWDMS-OKILXGFUSA-N 2 1 248.345 1.862 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccccc3F)C[C@@H]2C1 ZINC000193631489 347400638 /nfs/dbraw/zinc/40/06/38/347400638.db2.gz AZCADCQXNLWDMS-OKILXGFUSA-N 2 1 248.345 1.862 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccccc3F)C[C@@H]2C1 ZINC000193631489 347400643 /nfs/dbraw/zinc/40/06/43/347400643.db2.gz AZCADCQXNLWDMS-OKILXGFUSA-N 2 1 248.345 1.862 20 0 BDADMP Cc1cc(CNCC2=CC[N@@H+](C)CC2)on1 ZINC000392283791 347524243 /nfs/dbraw/zinc/52/42/43/347524243.db2.gz LNRDQOJUMYDEAW-UHFFFAOYSA-N 2 1 221.304 1.335 20 0 BDADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)on1 ZINC000392283791 347524253 /nfs/dbraw/zinc/52/42/53/347524253.db2.gz LNRDQOJUMYDEAW-UHFFFAOYSA-N 2 1 221.304 1.335 20 0 BDADMP Cc1cnc(C)nc1NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000577231866 365893149 /nfs/dbraw/zinc/89/31/49/365893149.db2.gz RYVAQXSMKMRWGB-SNVBAGLBSA-N 2 1 234.347 1.410 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc1 ZINC000252860610 347641223 /nfs/dbraw/zinc/64/12/23/347641223.db2.gz NBEPZNVJGFLVEE-QEJZJMRPSA-N 2 1 245.370 1.949 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn[nH]c1 ZINC000591700570 347690262 /nfs/dbraw/zinc/69/02/62/347690262.db2.gz LQKOQZIAGXCYLN-JTQLQIEISA-N 2 1 233.319 1.341 20 0 BDADMP Cc1ccccc1[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357069125 179328708 /nfs/dbraw/zinc/32/87/08/179328708.db2.gz HGLMAIYPYRZMNQ-CQSZACIVSA-N 2 1 248.370 1.760 20 0 BDADMP CCSC1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000594984799 348165755 /nfs/dbraw/zinc/16/57/55/348165755.db2.gz ORDAGKABZGWTFM-UHFFFAOYSA-N 2 1 228.405 1.956 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000162193867 179376461 /nfs/dbraw/zinc/37/64/61/179376461.db2.gz YLUCQRRMZFQBLQ-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000037248652 348290934 /nfs/dbraw/zinc/29/09/34/348290934.db2.gz UUCXGBMMPJMQRO-JTQLQIEISA-N 2 1 200.351 1.176 20 0 BDADMP CC[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)OC ZINC000419288913 192117823 /nfs/dbraw/zinc/11/78/23/192117823.db2.gz IIJOQVOJCSPJOF-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000419288402 192117908 /nfs/dbraw/zinc/11/79/08/192117908.db2.gz PNFQDAUKDOYBKZ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OC ZINC000419288402 192117910 /nfs/dbraw/zinc/11/79/10/192117910.db2.gz PNFQDAUKDOYBKZ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)OC ZINC000419288402 192117911 /nfs/dbraw/zinc/11/79/11/192117911.db2.gz PNFQDAUKDOYBKZ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000251612690 362891866 /nfs/dbraw/zinc/89/18/66/362891866.db2.gz PURVJFXYJLCJNY-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000251612691 362891990 /nfs/dbraw/zinc/89/19/90/362891990.db2.gz PURVJFXYJLCJNY-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503782 362927339 /nfs/dbraw/zinc/92/73/39/362927339.db2.gz NRVFHLGCOVXZSB-QWRGUYRKSA-N 2 1 214.353 1.484 20 0 BDADMP CCC(CC)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252552986 535078501 /nfs/dbraw/zinc/07/85/01/535078501.db2.gz QSSIMDCYRRHLBK-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP CCC(CC)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252552986 535078506 /nfs/dbraw/zinc/07/85/06/535078506.db2.gz QSSIMDCYRRHLBK-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250224802 349168653 /nfs/dbraw/zinc/16/86/53/349168653.db2.gz FIERLNXUEIDLDO-CRWXNKLISA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000252768816 349213879 /nfs/dbraw/zinc/21/38/79/349213879.db2.gz HFNDQTUVSPPCSD-SDDRHHMPSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H](Cc1cccs1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000070851776 490241450 /nfs/dbraw/zinc/24/14/50/490241450.db2.gz UWDBZORRRXSJSV-MNOVXSKESA-N 2 1 242.388 1.191 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000581661116 350039222 /nfs/dbraw/zinc/03/92/22/350039222.db2.gz MCWNXPHLWPSYCG-WISYIIOYSA-N 2 1 212.337 1.413 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)[C@H](C)C1 ZINC000133048186 191036734 /nfs/dbraw/zinc/03/67/34/191036734.db2.gz ZXVVOTLLGNNSHJ-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000340432261 180152426 /nfs/dbraw/zinc/15/24/26/180152426.db2.gz FEHXWPNCVHWYKS-LBPRGKRZSA-N 2 1 248.374 1.607 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293401701 180239194 /nfs/dbraw/zinc/23/91/94/180239194.db2.gz LPFLOEKTGWEYMC-MNOVXSKESA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293401701 180239196 /nfs/dbraw/zinc/23/91/96/180239196.db2.gz LPFLOEKTGWEYMC-MNOVXSKESA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cncn1C ZINC000271047416 180235591 /nfs/dbraw/zinc/23/55/91/180235591.db2.gz WBFYBZDXGYRUTK-UHFFFAOYSA-N 2 1 247.346 1.447 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncn1C ZINC000271047416 180235594 /nfs/dbraw/zinc/23/55/94/180235594.db2.gz WBFYBZDXGYRUTK-UHFFFAOYSA-N 2 1 247.346 1.447 20 0 BDADMP CCOCCC[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000083551623 350240486 /nfs/dbraw/zinc/24/04/86/350240486.db2.gz PGRSYPJQIAQLKF-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]1C[NH2+]C ZINC000083551623 350240490 /nfs/dbraw/zinc/24/04/90/350240490.db2.gz PGRSYPJQIAQLKF-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000427607548 191083971 /nfs/dbraw/zinc/08/39/71/191083971.db2.gz UJEMUOKIHDZQEV-MCIONIFRSA-N 2 1 238.375 1.628 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000427607549 191084261 /nfs/dbraw/zinc/08/42/61/191084261.db2.gz UJEMUOKIHDZQEV-MGPQQGTHSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H](C)CO ZINC000273959323 180248097 /nfs/dbraw/zinc/24/80/97/180248097.db2.gz GFXLMWBQQNBXQP-GHMZBOCLSA-N 2 1 225.336 1.188 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C1(CO)CCC1 ZINC000292140009 180248106 /nfs/dbraw/zinc/24/81/06/180248106.db2.gz MHYQXUJZIHYINX-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C1(CO)CCC1 ZINC000292140009 180248108 /nfs/dbraw/zinc/24/81/08/180248108.db2.gz MHYQXUJZIHYINX-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1CCC1 ZINC000336648767 180248230 /nfs/dbraw/zinc/24/82/30/180248230.db2.gz PJVYVRNYMTXERL-UHFFFAOYSA-N 2 1 207.321 1.923 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC1CCC1 ZINC000336648767 180248231 /nfs/dbraw/zinc/24/82/31/180248231.db2.gz PJVYVRNYMTXERL-UHFFFAOYSA-N 2 1 207.321 1.923 20 0 BDADMP COCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428995481 191087231 /nfs/dbraw/zinc/08/72/31/191087231.db2.gz HHWDWDFIKKZGPA-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428995481 191087234 /nfs/dbraw/zinc/08/72/34/191087234.db2.gz HHWDWDFIKKZGPA-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428995481 191087236 /nfs/dbraw/zinc/08/72/36/191087236.db2.gz HHWDWDFIKKZGPA-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369873167 180241022 /nfs/dbraw/zinc/24/10/22/180241022.db2.gz KRDXCVKCRAOYSZ-ZIAGYGMSSA-N 2 1 249.358 1.835 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369873167 180241025 /nfs/dbraw/zinc/24/10/25/180241025.db2.gz KRDXCVKCRAOYSZ-ZIAGYGMSSA-N 2 1 249.358 1.835 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cncnc1 ZINC000337948100 180243487 /nfs/dbraw/zinc/24/34/87/180243487.db2.gz JULQWEKSERNQPS-UHFFFAOYSA-N 2 1 231.303 1.161 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H]1C ZINC000070829490 180262826 /nfs/dbraw/zinc/26/28/26/180262826.db2.gz ZWUPDURISZJFIV-PWSUYJOCSA-N 2 1 207.321 1.970 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cncn1C ZINC000105442665 180264634 /nfs/dbraw/zinc/26/46/34/180264634.db2.gz KZVDGSMKSDAFDB-NSHDSACASA-N 2 1 247.346 1.351 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cncnc1 ZINC000171764682 180264848 /nfs/dbraw/zinc/26/48/48/180264848.db2.gz CGPLUKGUQDFWPO-NSHDSACASA-N 2 1 245.330 1.407 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1(C)COC1 ZINC000352792919 180265705 /nfs/dbraw/zinc/26/57/05/180265705.db2.gz TWZPEYHVMFRYMR-NSHDSACASA-N 2 1 237.347 1.454 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1(C)COC1 ZINC000352792918 180266944 /nfs/dbraw/zinc/26/69/44/180266944.db2.gz TWZPEYHVMFRYMR-LLVKDONJSA-N 2 1 237.347 1.454 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nccn1C ZINC000264232605 180269751 /nfs/dbraw/zinc/26/97/51/180269751.db2.gz CIQBMRHUFKSASD-LLVKDONJSA-N 2 1 247.346 1.351 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000275198333 180270087 /nfs/dbraw/zinc/27/00/87/180270087.db2.gz PYLYBLKGSHSNJR-GHMZBOCLSA-N 2 1 247.346 1.902 20 0 BDADMP Cc1ncsc1CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122360877 180309333 /nfs/dbraw/zinc/30/93/33/180309333.db2.gz SXLOFNQZYGEJKN-GXSJLCMTSA-N 2 1 239.388 1.663 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537065 362955442 /nfs/dbraw/zinc/95/54/42/362955442.db2.gz LZFXJRCYXWVPIZ-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328174743 350375109 /nfs/dbraw/zinc/37/51/09/350375109.db2.gz KYHARASYVSUEKO-YNEHKIRRSA-N 2 1 226.364 1.208 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537686 362957314 /nfs/dbraw/zinc/95/73/14/362957314.db2.gz BPVJSUIOOUFYHH-VXGBXAGGSA-N 2 1 242.407 1.998 20 0 BDADMP C=Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000300252162 191107335 /nfs/dbraw/zinc/10/73/35/191107335.db2.gz WYCZAHQUJGVKOA-KGLIPLIRSA-N 2 1 246.358 1.700 20 0 BDADMP C=Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000300252162 191107338 /nfs/dbraw/zinc/10/73/38/191107338.db2.gz WYCZAHQUJGVKOA-KGLIPLIRSA-N 2 1 246.358 1.700 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000163507231 350524371 /nfs/dbraw/zinc/52/43/71/350524371.db2.gz FNXOYGHNRCRIGF-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000163507231 350524374 /nfs/dbraw/zinc/52/43/74/350524374.db2.gz FNXOYGHNRCRIGF-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163507231 350524376 /nfs/dbraw/zinc/52/43/76/350524376.db2.gz FNXOYGHNRCRIGF-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)CCO2)C1CC([NH3+])C1 ZINC000384875230 350608991 /nfs/dbraw/zinc/60/89/91/350608991.db2.gz PMMKBHBBUSSIFL-UHFFFAOYSA-N 2 1 232.327 1.543 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)CCOC)[NH+]1CCCC1 ZINC000151711366 191114310 /nfs/dbraw/zinc/11/43/10/191114310.db2.gz ZHRBJMVGNRCRCZ-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCOCC1 ZINC000309484644 323415046 /nfs/dbraw/zinc/41/50/46/323415046.db2.gz FWTNKGCEGDXMAR-LLVKDONJSA-N 2 1 223.320 1.121 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251849882 350904665 /nfs/dbraw/zinc/90/46/65/350904665.db2.gz RQJPNEJGEHXPIN-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000637802310 351634584 /nfs/dbraw/zinc/63/45/84/351634584.db2.gz UJHKSRCTAJGDSF-LBPRGKRZSA-N 2 1 247.342 1.426 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650097 366032118 /nfs/dbraw/zinc/03/21/18/366032118.db2.gz CVXQLJAODDJINR-MNOVXSKESA-N 2 1 222.336 1.230 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+](C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650097 366032121 /nfs/dbraw/zinc/03/21/21/366032121.db2.gz CVXQLJAODDJINR-MNOVXSKESA-N 2 1 222.336 1.230 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650097 366032125 /nfs/dbraw/zinc/03/21/25/366032125.db2.gz CVXQLJAODDJINR-MNOVXSKESA-N 2 1 222.336 1.230 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000577739712 366047256 /nfs/dbraw/zinc/04/72/56/366047256.db2.gz BSBUZMDSRFMCHE-CHWSQXEVSA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000577739712 366047260 /nfs/dbraw/zinc/04/72/60/366047260.db2.gz BSBUZMDSRFMCHE-CHWSQXEVSA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000577739712 366047268 /nfs/dbraw/zinc/04/72/68/366047268.db2.gz BSBUZMDSRFMCHE-CHWSQXEVSA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000577739713 366048137 /nfs/dbraw/zinc/04/81/37/366048137.db2.gz BSBUZMDSRFMCHE-OLZOCXBDSA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000577739713 366048138 /nfs/dbraw/zinc/04/81/38/366048138.db2.gz BSBUZMDSRFMCHE-OLZOCXBDSA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000577739713 366048140 /nfs/dbraw/zinc/04/81/40/366048140.db2.gz BSBUZMDSRFMCHE-OLZOCXBDSA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[C@H]([NH3+])CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000637849110 351706635 /nfs/dbraw/zinc/70/66/35/351706635.db2.gz MSKBSRWVVUDUQP-LLVKDONJSA-N 2 1 243.395 1.064 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCC[C@H]2CCO2)CC1 ZINC000637887279 351754322 /nfs/dbraw/zinc/75/43/22/351754322.db2.gz RIUTZWWKODTHLA-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCC[C@H]2CCO2)CC1 ZINC000637887279 351754326 /nfs/dbraw/zinc/75/43/26/351754326.db2.gz RIUTZWWKODTHLA-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+](Cc1ccc(=O)[nH]c1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930457 351807129 /nfs/dbraw/zinc/80/71/29/351807129.db2.gz NWYBSIXNSNNPSF-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP C[NH+](Cc1ccc(=O)[nH]c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930457 351807131 /nfs/dbraw/zinc/80/71/31/351807131.db2.gz NWYBSIXNSNNPSF-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP C[NH+](Cc1ccc(=O)[nH]c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930457 351807132 /nfs/dbraw/zinc/80/71/32/351807132.db2.gz NWYBSIXNSNNPSF-CYBMUJFWSA-N 2 1 249.358 1.561 20 0 BDADMP C[N@H+](Cc1ccns1)CC1CC[NH+](C)CC1 ZINC000638029516 351910424 /nfs/dbraw/zinc/91/04/24/351910424.db2.gz QHLUQSYEVZWKBU-UHFFFAOYSA-N 2 1 239.388 1.917 20 0 BDADMP C(C1CCSCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186353 352052315 /nfs/dbraw/zinc/05/23/15/352052315.db2.gz RJWFVRKTRXBUIS-TXEJJXNPSA-N 2 1 226.389 1.281 20 0 BDADMP C(C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C[C@@H]1CCO1 ZINC000638360162 352171033 /nfs/dbraw/zinc/17/10/33/352171033.db2.gz TXJUTENOUKXDMS-TZMCWYRMSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C[C@@H]1CCO1 ZINC000638360154 352171053 /nfs/dbraw/zinc/17/10/53/352171053.db2.gz TXJUTENOUKXDMS-GXTWGEPZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000638380593 352191109 /nfs/dbraw/zinc/19/11/09/352191109.db2.gz CUGWDZKMEDRHHV-OLZOCXBDSA-N 2 1 248.374 1.339 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000638409345 352218982 /nfs/dbraw/zinc/21/89/82/352218982.db2.gz KBABSGBJSNKOEI-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000638409345 352218984 /nfs/dbraw/zinc/21/89/84/352218984.db2.gz KBABSGBJSNKOEI-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261530960 535176759 /nfs/dbraw/zinc/17/67/59/535176759.db2.gz DQZMEJYTCNNYNW-RYUDHWBXSA-N 2 1 214.353 1.328 20 0 BDADMP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000414933543 352341003 /nfs/dbraw/zinc/34/10/03/352341003.db2.gz UITGRHJMEJWJGT-DGCLKSJQSA-N 2 1 206.333 1.945 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414947141 352370684 /nfs/dbraw/zinc/37/06/84/352370684.db2.gz UOXDZBLAWCWTFJ-LBPRGKRZSA-N 2 1 233.359 1.592 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638588777 352419881 /nfs/dbraw/zinc/41/98/81/352419881.db2.gz NNDMZKJBMHYNQB-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000227009413 535181655 /nfs/dbraw/zinc/18/16/55/535181655.db2.gz UZRAMLJYSGQYOL-UONOGXRCSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC(n3cccn3)C2)CC[N@@H+]1C ZINC000638706984 352543813 /nfs/dbraw/zinc/54/38/13/352543813.db2.gz HSKBIBKMSAQGDK-KBHBFKLGSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC(n3cccn3)C2)CC[N@H+]1C ZINC000638706984 352543815 /nfs/dbraw/zinc/54/38/15/352543815.db2.gz HSKBIBKMSAQGDK-KBHBFKLGSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000412048487 191243453 /nfs/dbraw/zinc/24/34/53/191243453.db2.gz UVPJCSAURYOSLJ-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000412048487 191243455 /nfs/dbraw/zinc/24/34/55/191243455.db2.gz UVPJCSAURYOSLJ-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1CC(C)(C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000412048487 191243458 /nfs/dbraw/zinc/24/34/58/191243458.db2.gz UVPJCSAURYOSLJ-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1CC(C)(C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000412048487 191243459 /nfs/dbraw/zinc/24/34/59/191243459.db2.gz UVPJCSAURYOSLJ-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[NH+]1CCC([NH2+][C@@]2(C)CCCOC2)CC1 ZINC000334217658 352818846 /nfs/dbraw/zinc/81/88/46/352818846.db2.gz HNSBCVSSJQVPSE-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1nocc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334191429 352781921 /nfs/dbraw/zinc/78/19/21/352781921.db2.gz HNTALUTXVPJBLC-GWCFXTLKSA-N 2 1 237.347 1.898 20 0 BDADMP CC[N@H+]1C[C@H](C)N(Cc2cncn2C)C[C@@H]1C ZINC000334198473 352790494 /nfs/dbraw/zinc/79/04/94/352790494.db2.gz LQBJYLXBDGWCJQ-RYUDHWBXSA-N 2 1 236.363 1.335 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334270932 352907762 /nfs/dbraw/zinc/90/77/62/352907762.db2.gz GFLGTORCKJUTRT-KGLIPLIRSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000261568712 535199768 /nfs/dbraw/zinc/19/97/68/535199768.db2.gz FTPBSAMCGNQHAK-NSHDSACASA-N 2 1 207.321 1.889 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000261568712 535199777 /nfs/dbraw/zinc/19/97/77/535199777.db2.gz FTPBSAMCGNQHAK-NSHDSACASA-N 2 1 207.321 1.889 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000520972750 353218227 /nfs/dbraw/zinc/21/82/27/353218227.db2.gz BOPKXFYCZLJRHC-GHMZBOCLSA-N 2 1 216.369 1.323 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000356847771 188238839 /nfs/dbraw/zinc/23/88/39/188238839.db2.gz JTPNUYOBFHNYPH-MELADBBJSA-N 2 1 244.423 1.959 20 0 BDADMP Cc1cccc(NC2CC[NH+](CCO)CC2)[nH+]1 ZINC000370083699 188247585 /nfs/dbraw/zinc/24/75/85/188247585.db2.gz SDARSFLOKNAHLV-UHFFFAOYSA-N 2 1 235.331 1.259 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1O ZINC000300414640 188247747 /nfs/dbraw/zinc/24/77/47/188247747.db2.gz NSPWEFBBXKTKHM-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000300414640 188247749 /nfs/dbraw/zinc/24/77/49/188247749.db2.gz NSPWEFBBXKTKHM-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000300414640 188247751 /nfs/dbraw/zinc/24/77/51/188247751.db2.gz NSPWEFBBXKTKHM-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000300687329 188248224 /nfs/dbraw/zinc/24/82/24/188248224.db2.gz LEGUNBJNQYZKBT-UONOGXRCSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000300687329 188248225 /nfs/dbraw/zinc/24/82/25/188248225.db2.gz LEGUNBJNQYZKBT-UONOGXRCSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000300687329 188248226 /nfs/dbraw/zinc/24/82/26/188248226.db2.gz LEGUNBJNQYZKBT-UONOGXRCSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)C(C)C)[NH+](C)C ZINC000122210288 188250358 /nfs/dbraw/zinc/25/03/58/188250358.db2.gz XFBJUXVGMJBEBB-GFCCVEGCSA-N 2 1 243.395 1.029 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(O)c1 ZINC000105480753 188253694 /nfs/dbraw/zinc/25/36/94/188253694.db2.gz WQPQEPRSWCXCIP-FZMZJTMJSA-N 2 1 234.343 1.822 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000105480753 188253696 /nfs/dbraw/zinc/25/36/96/188253696.db2.gz WQPQEPRSWCXCIP-FZMZJTMJSA-N 2 1 234.343 1.822 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994656 188255325 /nfs/dbraw/zinc/25/53/25/188255325.db2.gz BIJIOPCROIXNGE-OAHLLOKOSA-N 2 1 246.354 1.881 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994656 188255326 /nfs/dbraw/zinc/25/53/26/188255326.db2.gz BIJIOPCROIXNGE-OAHLLOKOSA-N 2 1 246.354 1.881 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336685411 188256094 /nfs/dbraw/zinc/25/60/94/188256094.db2.gz UDIFBPHYQAVZLN-FRRDWIJNSA-N 2 1 228.380 1.181 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336661616 188256103 /nfs/dbraw/zinc/25/61/03/188256103.db2.gz KCLCRAHUDNXKQB-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336661616 188256104 /nfs/dbraw/zinc/25/61/04/188256104.db2.gz KCLCRAHUDNXKQB-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336661616 188256106 /nfs/dbraw/zinc/25/61/06/188256106.db2.gz KCLCRAHUDNXKQB-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336661616 188256108 /nfs/dbraw/zinc/25/61/08/188256108.db2.gz KCLCRAHUDNXKQB-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336661616 188256109 /nfs/dbraw/zinc/25/61/09/188256109.db2.gz KCLCRAHUDNXKQB-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP C(C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000348102678 188258298 /nfs/dbraw/zinc/25/82/98/188258298.db2.gz BFUXBZUKXWVOOC-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000348102678 188258300 /nfs/dbraw/zinc/25/83/00/188258300.db2.gz BFUXBZUKXWVOOC-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271832736 188262666 /nfs/dbraw/zinc/26/26/66/188262666.db2.gz PCUAPYZMTDCJEC-UHFFFAOYSA-N 2 1 234.347 1.080 20 0 BDADMP C1=CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355569186 188271535 /nfs/dbraw/zinc/27/15/35/188271535.db2.gz QISSATSEUZNSFC-HUUCEWRRSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[N@H+](CCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000355569186 188271537 /nfs/dbraw/zinc/27/15/37/188271537.db2.gz QISSATSEUZNSFC-HUUCEWRRSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[N@@H+](CCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000355569186 188271539 /nfs/dbraw/zinc/27/15/39/188271539.db2.gz QISSATSEUZNSFC-HUUCEWRRSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[NH+](CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355569186 188271541 /nfs/dbraw/zinc/27/15/41/188271541.db2.gz QISSATSEUZNSFC-HUUCEWRRSA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[NH+](CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355569186 188271542 /nfs/dbraw/zinc/27/15/42/188271542.db2.gz QISSATSEUZNSFC-HUUCEWRRSA-N 2 1 249.402 1.465 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000126008542 188330143 /nfs/dbraw/zinc/33/01/43/188330143.db2.gz USFGIHCXTCSANK-JTQLQIEISA-N 2 1 224.352 1.158 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639049505 353344562 /nfs/dbraw/zinc/34/45/62/353344562.db2.gz SVXYRHWUPJPTTH-RQJABVFESA-N 2 1 238.375 1.079 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639049505 353344563 /nfs/dbraw/zinc/34/45/63/353344563.db2.gz SVXYRHWUPJPTTH-RQJABVFESA-N 2 1 238.375 1.079 20 0 BDADMP Cc1n[nH]cc1CNCCC[N@H+](C)C(C)C ZINC000226388556 188357425 /nfs/dbraw/zinc/35/74/25/188357425.db2.gz CYRCCPYAEOKKHH-UHFFFAOYSA-N 2 1 224.352 1.538 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000226388556 188357427 /nfs/dbraw/zinc/35/74/27/188357427.db2.gz CYRCCPYAEOKKHH-UHFFFAOYSA-N 2 1 224.352 1.538 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000226388556 188357429 /nfs/dbraw/zinc/35/74/29/188357429.db2.gz CYRCCPYAEOKKHH-UHFFFAOYSA-N 2 1 224.352 1.538 20 0 BDADMP C=Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000194354485 188352335 /nfs/dbraw/zinc/35/23/35/188352335.db2.gz CAXGLDYRHQXDKI-ZIAGYGMSSA-N 2 1 248.374 1.946 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnn(C)c1C ZINC000272458128 188377485 /nfs/dbraw/zinc/37/74/85/188377485.db2.gz QIUIQVQBDMTIEB-JTQLQIEISA-N 2 1 247.346 1.584 20 0 BDADMP C[C@H](CN[C@H]1C[N@@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000343331332 353738782 /nfs/dbraw/zinc/73/87/82/353738782.db2.gz JALPIAKCJHIZNN-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000343331332 353738783 /nfs/dbraw/zinc/73/87/83/353738783.db2.gz JALPIAKCJHIZNN-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233481370 353823393 /nfs/dbraw/zinc/82/33/93/353823393.db2.gz XAIQCHNTBQJXPS-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000220347144 353830575 /nfs/dbraw/zinc/83/05/75/353830575.db2.gz JBSDDOPVLWJQGE-IACUBPJLSA-N 2 1 248.374 1.462 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CC[C@H]1CCOC1 ZINC000343627881 353948260 /nfs/dbraw/zinc/94/82/60/353948260.db2.gz VRKUXSWICMGYET-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCN1C[C@@H](C)[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000343903134 354054820 /nfs/dbraw/zinc/05/48/20/354054820.db2.gz CTYMQQVIAZPEKP-DGCLKSJQSA-N 2 1 236.363 1.121 20 0 BDADMP CN(CCC[N@@H+](C)CCCF)CC[NH+](C)C ZINC000344046920 354111436 /nfs/dbraw/zinc/11/14/36/354111436.db2.gz YAJZMTRUBDVKCQ-UHFFFAOYSA-N 2 1 233.375 1.161 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639170740 354124753 /nfs/dbraw/zinc/12/47/53/354124753.db2.gz WVGKUPNRZKHYHN-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NCc2cccc(CO)c2)C1 ZINC000344230469 354184879 /nfs/dbraw/zinc/18/48/79/354184879.db2.gz IJEZQPDOICTAGC-SWLSCSKDSA-N 2 1 248.370 1.609 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000344511176 354291584 /nfs/dbraw/zinc/29/15/84/354291584.db2.gz IINBRCMIBPJHGX-JSGCOSHPSA-N 2 1 238.375 1.653 20 0 BDADMP Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000334615641 354302495 /nfs/dbraw/zinc/30/24/95/354302495.db2.gz LSHZKHKHSNTGGY-NXEZZACHSA-N 2 1 225.361 1.811 20 0 BDADMP C[C@H](CF)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639183623 354355395 /nfs/dbraw/zinc/35/53/95/354355395.db2.gz UIBHOPFDAZOIPA-SNVBAGLBSA-N 2 1 232.343 1.169 20 0 BDADMP c1nc2c([nH]1)CC[C@H]([NH2+]C[C@H]1CCCOC1)C2 ZINC000334645370 354402430 /nfs/dbraw/zinc/40/24/30/354402430.db2.gz GEWIUYDRLFTUAS-MNOVXSKESA-N 2 1 235.331 1.283 20 0 BDADMP Cc1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc[nH+]1 ZINC000334799631 354554860 /nfs/dbraw/zinc/55/48/60/354554860.db2.gz OTGWHPAREPFACX-YPMHNXCESA-N 2 1 217.316 1.530 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC[C@H]3CCO3)C2)C1 ZINC000639202718 354607721 /nfs/dbraw/zinc/60/77/21/354607721.db2.gz BCAXCHRLMOZYTR-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC[C@H]3CCO3)C2)C1 ZINC000639202718 354607723 /nfs/dbraw/zinc/60/77/23/354607723.db2.gz BCAXCHRLMOZYTR-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC[C@H]3CCO3)C2)C1 ZINC000639202718 354607725 /nfs/dbraw/zinc/60/77/25/354607725.db2.gz BCAXCHRLMOZYTR-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC[C@@H]3CCO3)C2)C1 ZINC000639202722 354608218 /nfs/dbraw/zinc/60/82/18/354608218.db2.gz BCAXCHRLMOZYTR-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC[C@@H]3CCO3)C2)C1 ZINC000639202722 354608222 /nfs/dbraw/zinc/60/82/22/354608222.db2.gz BCAXCHRLMOZYTR-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC[C@@H]3CCO3)C2)C1 ZINC000639202722 354608224 /nfs/dbraw/zinc/60/82/24/354608224.db2.gz BCAXCHRLMOZYTR-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000179239202 366228607 /nfs/dbraw/zinc/22/86/07/366228607.db2.gz XTLCLIXNBPCIAZ-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP CCC[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204288 354616120 /nfs/dbraw/zinc/61/61/20/354616120.db2.gz QIDBTGDHDJLBFW-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CN(C)c1ncc(C[N@H+]2CC[C@@H]3CCC[C@H]32)n1C ZINC000335109822 354695478 /nfs/dbraw/zinc/69/54/78/354695478.db2.gz JBJGJIBJTRHNEE-WCQYABFASA-N 2 1 248.374 1.861 20 0 BDADMP COCCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234597738 363425018 /nfs/dbraw/zinc/42/50/18/363425018.db2.gz JJBXPAVMVUYQAU-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000346674642 355008921 /nfs/dbraw/zinc/00/89/21/355008921.db2.gz ISPRVADQYMLCEF-ZJUUUORDSA-N 2 1 239.388 1.875 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000346674642 355008923 /nfs/dbraw/zinc/00/89/23/355008923.db2.gz ISPRVADQYMLCEF-ZJUUUORDSA-N 2 1 239.388 1.875 20 0 BDADMP COc1cc(C)c(C[NH+]2CCC([NH3+])CC2)c(C)n1 ZINC000346640177 355015567 /nfs/dbraw/zinc/01/55/67/355015567.db2.gz KTJYBNPZNDSVHE-UHFFFAOYSA-N 2 1 249.358 1.630 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCSCC1 ZINC000335182212 355079630 /nfs/dbraw/zinc/07/96/30/355079630.db2.gz SIYPWAIAHXERSC-PWSUYJOCSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C)[C@@H]2C)CC[N@H+]1C ZINC000346803365 355109271 /nfs/dbraw/zinc/10/92/71/355109271.db2.gz VJOMGJCGGFCHSX-SYQHCUMBSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000346803365 355109272 /nfs/dbraw/zinc/10/92/72/355109272.db2.gz VJOMGJCGGFCHSX-SYQHCUMBSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000346803365 355109275 /nfs/dbraw/zinc/10/92/75/355109275.db2.gz VJOMGJCGGFCHSX-SYQHCUMBSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC(Cn2cccn2)CC1 ZINC000346852561 355138770 /nfs/dbraw/zinc/13/87/70/355138770.db2.gz RZAOFCGIKSDLLI-UHFFFAOYSA-N 2 1 236.363 1.332 20 0 BDADMP C[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000639233926 355216536 /nfs/dbraw/zinc/21/65/36/355216536.db2.gz YYFYXFAXAUQNSB-WOPDTQHZSA-N 2 1 213.369 1.009 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335254989 355184594 /nfs/dbraw/zinc/18/45/94/355184594.db2.gz CHFAMJCFQCLBPX-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335254989 355184596 /nfs/dbraw/zinc/18/45/96/355184596.db2.gz CHFAMJCFQCLBPX-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335254989 355184599 /nfs/dbraw/zinc/18/45/99/355184599.db2.gz CHFAMJCFQCLBPX-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1nc(C(C)(C)[NH2+]CC2CC[NH2+]CC2)no1 ZINC000346985360 355186348 /nfs/dbraw/zinc/18/63/48/355186348.db2.gz PGMCHYHKXBATHN-UHFFFAOYSA-N 2 1 238.335 1.202 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@@H]1O)CC1CC[NH2+]CC1 ZINC000346989426 355189702 /nfs/dbraw/zinc/18/97/02/355189702.db2.gz RJPIZXXFOCGQJG-STQMWFEESA-N 2 1 226.364 1.079 20 0 BDADMP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000347009869 355203298 /nfs/dbraw/zinc/20/32/98/355203298.db2.gz SLVMXMBHHSAYTK-CYBMUJFWSA-N 3 1 239.407 1.450 20 0 BDADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000347009869 355203302 /nfs/dbraw/zinc/20/33/02/355203302.db2.gz SLVMXMBHHSAYTK-CYBMUJFWSA-N 3 1 239.407 1.450 20 0 BDADMP CC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000412979788 191348472 /nfs/dbraw/zinc/34/84/72/191348472.db2.gz VUWUWJBOTLRLRI-YNEHKIRRSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000412979788 191348474 /nfs/dbraw/zinc/34/84/74/191348474.db2.gz VUWUWJBOTLRLRI-YNEHKIRRSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000412979788 191348477 /nfs/dbraw/zinc/34/84/77/191348477.db2.gz VUWUWJBOTLRLRI-YNEHKIRRSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000412979788 191348478 /nfs/dbraw/zinc/34/84/78/191348478.db2.gz VUWUWJBOTLRLRI-YNEHKIRRSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000412979008 191348835 /nfs/dbraw/zinc/34/88/35/191348835.db2.gz RQWOEEVTSFSGCO-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515177 355252061 /nfs/dbraw/zinc/25/20/61/355252061.db2.gz ILYXGCCQUYNCHT-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC[C@H]2CCO2)C1 ZINC000639257307 355302830 /nfs/dbraw/zinc/30/28/30/355302830.db2.gz LVWDPJBLTOUEHB-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+](C)C1CCC([NH2+]CC(C)(C)N)CC1 ZINC000583499856 355333524 /nfs/dbraw/zinc/33/35/24/355333524.db2.gz CQIWOWXLCUELPQ-UHFFFAOYSA-N 2 1 213.369 1.186 20 0 BDADMP CCC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414712358 191553901 /nfs/dbraw/zinc/55/39/01/191553901.db2.gz UAPCHJANKZFCBX-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP COc1ccsc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335786256 355436454 /nfs/dbraw/zinc/43/64/54/355436454.db2.gz DOFBUFXMZHBXBF-NXEZZACHSA-N 2 1 240.372 1.926 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335786256 355436457 /nfs/dbraw/zinc/43/64/57/355436457.db2.gz DOFBUFXMZHBXBF-NXEZZACHSA-N 2 1 240.372 1.926 20 0 BDADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414818649 191583392 /nfs/dbraw/zinc/58/33/92/191583392.db2.gz WIMSXGGYWHYUPE-SWLSCSKDSA-N 2 1 247.386 1.938 20 0 BDADMP CC(C)Oc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415021533 191653726 /nfs/dbraw/zinc/65/37/26/191653726.db2.gz BWCHCVMBWVVNPU-FICVDOATSA-N 2 1 246.354 1.781 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000583558633 355608819 /nfs/dbraw/zinc/60/88/19/355608819.db2.gz AQAGDTKHPVHJAV-OLZOCXBDSA-N 2 1 239.407 1.589 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000583558632 355609187 /nfs/dbraw/zinc/60/91/87/355609187.db2.gz AQAGDTKHPVHJAV-CHWSQXEVSA-N 2 1 239.407 1.589 20 0 BDADMP CCc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415045206 191660633 /nfs/dbraw/zinc/66/06/33/191660633.db2.gz SYVUCSITAZNAIB-HNNXBMFYSA-N 2 1 248.370 1.717 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC[C@@H]([NH3+])CC(C)C ZINC000415082014 191674248 /nfs/dbraw/zinc/67/42/48/191674248.db2.gz NQMBSOUVPKFAGY-UONOGXRCSA-N 2 1 241.423 1.824 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000367107470 355709637 /nfs/dbraw/zinc/70/96/37/355709637.db2.gz NNHDGXHNNAXUJT-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cn1 ZINC000530218036 355899265 /nfs/dbraw/zinc/89/92/65/355899265.db2.gz DSBSSWJHIXEXEN-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cn1 ZINC000530218039 355899683 /nfs/dbraw/zinc/89/96/83/355899683.db2.gz DSBSSWJHIXEXEN-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]12 ZINC000351492432 356001966 /nfs/dbraw/zinc/00/19/66/356001966.db2.gz KWFQWFHURRJLNI-RWMBFGLXSA-N 2 1 224.348 1.082 20 0 BDADMP Cc1nccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000351657981 356046661 /nfs/dbraw/zinc/04/66/61/356046661.db2.gz FRFCZHIGMJBPBJ-SMDDNHRTSA-N 2 1 248.374 1.700 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420265202 192192922 /nfs/dbraw/zinc/19/29/22/192192922.db2.gz BHZKFSGFFIPMAY-XQQFMLRXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420265202 192192925 /nfs/dbraw/zinc/19/29/25/192192925.db2.gz BHZKFSGFFIPMAY-XQQFMLRXSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC3=CCCOC3)C2)C1 ZINC000336113310 134087290 /nfs/dbraw/zinc/08/72/90/134087290.db2.gz ZZUXPKYXEAEZLS-AWEZNQCLSA-N 2 1 236.359 1.361 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC3=CCCOC3)C2)C1 ZINC000336113310 134087291 /nfs/dbraw/zinc/08/72/91/134087291.db2.gz ZZUXPKYXEAEZLS-AWEZNQCLSA-N 2 1 236.359 1.361 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3=CCCOC3)C2)C1 ZINC000336113310 134087292 /nfs/dbraw/zinc/08/72/92/134087292.db2.gz ZZUXPKYXEAEZLS-AWEZNQCLSA-N 2 1 236.359 1.361 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420264984 192190959 /nfs/dbraw/zinc/19/09/59/192190959.db2.gz AWIHKZYPRFVPJH-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420264984 192190960 /nfs/dbraw/zinc/19/09/60/192190960.db2.gz AWIHKZYPRFVPJH-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP CCOC(=O)CCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000420264559 192191094 /nfs/dbraw/zinc/19/10/94/192191094.db2.gz ANHLNQGYRDCSER-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP C[C@](C[NH3+])([NH2+]CC[C@H]1CCCCO1)C1CC1 ZINC000420296575 192204274 /nfs/dbraw/zinc/20/42/74/192204274.db2.gz XECOAXZLWGOOGE-CHWSQXEVSA-N 2 1 226.364 1.663 20 0 BDADMP COC(=O)CC1(C[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000420296608 192205939 /nfs/dbraw/zinc/20/59/39/192205939.db2.gz XGDNJJLXYRFFOC-UHFFFAOYSA-N 2 1 242.363 1.246 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)OC(C)C)C1 ZINC000420279890 192198660 /nfs/dbraw/zinc/19/86/60/192198660.db2.gz XQIOXVDVUSXWPD-LBPRGKRZSA-N 2 1 242.363 1.260 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000420279890 192198662 /nfs/dbraw/zinc/19/86/62/192198662.db2.gz XQIOXVDVUSXWPD-LBPRGKRZSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@H](C[NH3+])[N@H+](C)CC[C@H]1CCCCO1 ZINC000420285711 192200215 /nfs/dbraw/zinc/20/02/15/192200215.db2.gz FPBXDLXCXNGARE-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H](C[NH3+])[N@@H+](C)CC[C@H]1CCCCO1 ZINC000420285711 192200217 /nfs/dbraw/zinc/20/02/17/192200217.db2.gz FPBXDLXCXNGARE-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420287678 192201849 /nfs/dbraw/zinc/20/18/49/192201849.db2.gz XSYDLPZIFFBVLD-KOLCDFICSA-N 2 1 249.314 1.042 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000639493750 356316962 /nfs/dbraw/zinc/31/69/62/356316962.db2.gz BMUXWQSXOIQVIH-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000639493750 356316963 /nfs/dbraw/zinc/31/69/63/356316963.db2.gz BMUXWQSXOIQVIH-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000639493750 356316964 /nfs/dbraw/zinc/31/69/64/356316964.db2.gz BMUXWQSXOIQVIH-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000420291405 192202856 /nfs/dbraw/zinc/20/28/56/192202856.db2.gz KKZZKZYJTKNWOP-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCCCCF)C1CC1 ZINC000420293580 192202920 /nfs/dbraw/zinc/20/29/20/192202920.db2.gz RHKOPKXJQXTZCY-LLVKDONJSA-N 2 1 202.317 1.843 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420295644 192203214 /nfs/dbraw/zinc/20/32/14/192203214.db2.gz VVRVTZAUYHREIJ-MELADBBJSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420355070 192218731 /nfs/dbraw/zinc/21/87/31/192218731.db2.gz PQASCGAEGXDQOS-BXKDBHETSA-N 2 1 226.295 1.138 20 0 BDADMP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420355070 192218734 /nfs/dbraw/zinc/21/87/34/192218734.db2.gz PQASCGAEGXDQOS-BXKDBHETSA-N 2 1 226.295 1.138 20 0 BDADMP c1cnn(CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420330527 192213757 /nfs/dbraw/zinc/21/37/57/192213757.db2.gz QBBQNJDCZUUZEA-KBPBESRZSA-N 2 1 248.374 1.205 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336763 192214565 /nfs/dbraw/zinc/21/45/65/192214565.db2.gz WGMZQMARHNKJHI-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340605 192216667 /nfs/dbraw/zinc/21/66/67/192216667.db2.gz MVURAPPUBVWRMQ-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420349923 192217847 /nfs/dbraw/zinc/21/78/47/192217847.db2.gz FEHLVHAMMIYQDV-YPMHNXCESA-N 2 1 222.332 1.307 20 0 BDADMP NC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420299519 192207852 /nfs/dbraw/zinc/20/78/52/192207852.db2.gz UANZHLUBCWPMHC-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420299519 192207855 /nfs/dbraw/zinc/20/78/55/192207855.db2.gz UANZHLUBCWPMHC-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP OCCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420306632 192208636 /nfs/dbraw/zinc/20/86/36/192208636.db2.gz QQSSUTPNAWGROG-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP CC(C)(C)[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420304952 192209439 /nfs/dbraw/zinc/20/94/39/192209439.db2.gz PABNHTZYMSMCKE-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP Nc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccn1 ZINC000420316407 192212808 /nfs/dbraw/zinc/21/28/08/192212808.db2.gz YCLQABWQWADEHZ-RWMBFGLXSA-N 2 1 246.358 1.053 20 0 BDADMP CC[N@@H+](Cc1ccnc(N)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420317487 192212816 /nfs/dbraw/zinc/21/28/16/192212816.db2.gz UOJQJDQVOYJKMU-CYBMUJFWSA-N 2 1 248.374 1.458 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322231 192228653 /nfs/dbraw/zinc/22/86/53/192228653.db2.gz WJJRFSVVLZDJST-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP CC(C)OCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420372530 192230446 /nfs/dbraw/zinc/23/04/46/192230446.db2.gz YCKDKWCPEJYDNI-SNVBAGLBSA-N 2 1 202.342 1.374 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000420324558 192230588 /nfs/dbraw/zinc/23/05/88/192230588.db2.gz ATYDFJYKJIFIDX-TZMCWYRMSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCN(CCC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000420324558 192230590 /nfs/dbraw/zinc/23/05/90/192230590.db2.gz ATYDFJYKJIFIDX-TZMCWYRMSA-N 2 1 239.407 1.435 20 0 BDADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359375 192222341 /nfs/dbraw/zinc/22/23/41/192222341.db2.gz VUNPQNIZZWRGDX-CHWSQXEVSA-N 2 1 240.322 1.528 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CCC[NH2+]C)C[C@@H]1C ZINC000420365692 192223205 /nfs/dbraw/zinc/22/32/05/192223205.db2.gz SOXMXINFNNPTTE-RYUDHWBXSA-N 2 1 213.369 1.010 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000420363806 192224095 /nfs/dbraw/zinc/22/40/95/192224095.db2.gz JURQPVFSVKDNII-NDBYEHHHSA-N 2 1 226.364 1.532 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420384460 192234617 /nfs/dbraw/zinc/23/46/17/192234617.db2.gz DVNNHRKKXKFPDO-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000420383345 192235016 /nfs/dbraw/zinc/23/50/16/192235016.db2.gz ZIWYMNHRHPODLM-LLVKDONJSA-N 2 1 249.358 1.905 20 0 BDADMP CCOCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420381874 192235419 /nfs/dbraw/zinc/23/54/19/192235419.db2.gz CUMLKTUQZWFRLT-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420381837 192235782 /nfs/dbraw/zinc/23/57/82/192235782.db2.gz ZLAYHTPGVCFREY-NTZNESFSSA-N 2 1 242.363 1.304 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420396982 192236929 /nfs/dbraw/zinc/23/69/29/192236929.db2.gz FPLZBMVWRNTCCW-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420404457 192238164 /nfs/dbraw/zinc/23/81/64/192238164.db2.gz SFFRMXBPRWNUMN-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])C(C)(C)c1ccccc1 ZINC000420399396 192238297 /nfs/dbraw/zinc/23/82/97/192238297.db2.gz HPISXMKSLPSDHP-LLVKDONJSA-N 2 1 206.333 1.901 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420412068 192239983 /nfs/dbraw/zinc/23/99/83/192239983.db2.gz SAMALEPZILWFLF-IACUBPJLSA-N 2 1 234.343 1.701 20 0 BDADMP CC[C@@H](C)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377073 192231465 /nfs/dbraw/zinc/23/14/65/192231465.db2.gz RNYCDYNOYVAPPM-NEPJUHHUSA-N 2 1 242.363 1.260 20 0 BDADMP CCOCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420376575 192231868 /nfs/dbraw/zinc/23/18/68/192231868.db2.gz VFIPFWLZOBPTQA-IJLUTSLNSA-N 2 1 214.353 1.389 20 0 BDADMP COCCCCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420381228 192233252 /nfs/dbraw/zinc/23/32/52/192233252.db2.gz ZBICWHCIYBKPLN-YNEHKIRRSA-N 2 1 228.380 1.779 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420380668 192233328 /nfs/dbraw/zinc/23/33/28/192233328.db2.gz YNECDMJKUGVTSC-YNEHKIRRSA-N 2 1 228.380 1.778 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](C)O ZINC000352210253 134107710 /nfs/dbraw/zinc/10/77/10/134107710.db2.gz FPNDAGPFIBDMBS-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](C)O ZINC000352210253 134107711 /nfs/dbraw/zinc/10/77/11/134107711.db2.gz FPNDAGPFIBDMBS-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](C)O ZINC000352210253 134107712 /nfs/dbraw/zinc/10/77/12/134107712.db2.gz FPNDAGPFIBDMBS-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CCCC[C@H]1C ZINC000389634209 356496680 /nfs/dbraw/zinc/49/66/80/356496680.db2.gz NKNUBGPDGPYPOZ-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C ZINC000389634209 356496684 /nfs/dbraw/zinc/49/66/84/356496684.db2.gz NKNUBGPDGPYPOZ-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C ZINC000389634209 356496687 /nfs/dbraw/zinc/49/66/87/356496687.db2.gz NKNUBGPDGPYPOZ-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000389634209 356496689 /nfs/dbraw/zinc/49/66/89/356496689.db2.gz NKNUBGPDGPYPOZ-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@H](CO)C[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000420944516 192276859 /nfs/dbraw/zinc/27/68/59/192276859.db2.gz QZVRTGICOVJISM-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@H](CO)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000420944516 192276861 /nfs/dbraw/zinc/27/68/61/192276861.db2.gz QZVRTGICOVJISM-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@H](CO)C[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000420944516 192276863 /nfs/dbraw/zinc/27/68/63/192276863.db2.gz QZVRTGICOVJISM-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1OCC[C@]1(C)[NH2+]CCc1c[nH+]cn1C ZINC000639633762 356547282 /nfs/dbraw/zinc/54/72/82/356547282.db2.gz QYIZSPVOFIIYRX-JQWIXIFHSA-N 2 1 223.320 1.120 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000336197904 134127178 /nfs/dbraw/zinc/12/71/78/134127178.db2.gz RFNXHASTPNTHEE-CHWSQXEVSA-N 2 1 224.348 1.098 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000336197905 134127659 /nfs/dbraw/zinc/12/76/59/134127659.db2.gz RFNXHASTPNTHEE-OLZOCXBDSA-N 2 1 224.348 1.098 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@]12CCOC2 ZINC000421016943 192303883 /nfs/dbraw/zinc/30/38/83/192303883.db2.gz JOAPGSKLNXWDLT-QWHCGFSZSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@]12CCOC2 ZINC000421016943 192303884 /nfs/dbraw/zinc/30/38/84/192303884.db2.gz JOAPGSKLNXWDLT-QWHCGFSZSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@]12CCOC2 ZINC000421016943 192303886 /nfs/dbraw/zinc/30/38/86/192303886.db2.gz JOAPGSKLNXWDLT-QWHCGFSZSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@]12CCOC2 ZINC000421016943 192303887 /nfs/dbraw/zinc/30/38/87/192303887.db2.gz JOAPGSKLNXWDLT-QWHCGFSZSA-N 2 1 224.348 1.336 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]12CCOC2 ZINC000421021676 192305368 /nfs/dbraw/zinc/30/53/68/192305368.db2.gz OWZPXLDYDXHFGW-CQSZACIVSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]12CCOC2 ZINC000421021676 192305370 /nfs/dbraw/zinc/30/53/70/192305370.db2.gz OWZPXLDYDXHFGW-CQSZACIVSA-N 2 1 249.358 1.837 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000639653427 356564496 /nfs/dbraw/zinc/56/44/96/356564496.db2.gz AGXORNPDHZCSTQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000639653427 356564500 /nfs/dbraw/zinc/56/45/00/356564500.db2.gz AGXORNPDHZCSTQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000639653427 356564503 /nfs/dbraw/zinc/56/45/03/356564503.db2.gz AGXORNPDHZCSTQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000639653426 356564993 /nfs/dbraw/zinc/56/49/93/356564993.db2.gz AGXORNPDHZCSTQ-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000639653426 356564996 /nfs/dbraw/zinc/56/49/96/356564996.db2.gz AGXORNPDHZCSTQ-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000639653426 356564997 /nfs/dbraw/zinc/56/49/97/356564997.db2.gz AGXORNPDHZCSTQ-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]([NH2+]CCC1CC1)c1c[nH+]ccc1N ZINC000422916466 192506481 /nfs/dbraw/zinc/50/64/81/192506481.db2.gz ARJZQKMDBNALRS-SECBINFHSA-N 2 1 205.305 1.945 20 0 BDADMP CC[C@@H]([NH2+]CCn1cccn1)[C@@H]1CCC[NH2+]1 ZINC000422988295 192519572 /nfs/dbraw/zinc/51/95/72/192519572.db2.gz KEUWZRVBWNYRQL-NEPJUHHUSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756518 356660819 /nfs/dbraw/zinc/66/08/19/356660819.db2.gz WNZXIKZYTKWBKN-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167606365 134152888 /nfs/dbraw/zinc/15/28/88/134152888.db2.gz CHWNPMBPPHIMIJ-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP Fc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000088287699 356657060 /nfs/dbraw/zinc/65/70/60/356657060.db2.gz UYDQLEJYHAWGNK-VXGBXAGGSA-N 2 1 220.291 1.477 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755460 356658499 /nfs/dbraw/zinc/65/84/99/356658499.db2.gz LTWZZJCVRUKJFV-ZDUSSCGKSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000167627303 134153328 /nfs/dbraw/zinc/15/33/28/134153328.db2.gz MQCHQAIYIHSWMU-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167627303 134153329 /nfs/dbraw/zinc/15/33/29/134153329.db2.gz MQCHQAIYIHSWMU-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167627303 134153330 /nfs/dbraw/zinc/15/33/30/134153330.db2.gz MQCHQAIYIHSWMU-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000167676220 134153831 /nfs/dbraw/zinc/15/38/31/134153831.db2.gz MYGZDYOEZWMMIO-GXSJLCMTSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000167676220 134153832 /nfs/dbraw/zinc/15/38/32/134153832.db2.gz MYGZDYOEZWMMIO-GXSJLCMTSA-N 2 1 223.320 1.400 20 0 BDADMP CC(C)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761512 356677531 /nfs/dbraw/zinc/67/75/31/356677531.db2.gz IHDFZYXHBKFBFK-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761512 356677534 /nfs/dbraw/zinc/67/75/34/356677534.db2.gz IHDFZYXHBKFBFK-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP COC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757745 356664910 /nfs/dbraw/zinc/66/49/10/356664910.db2.gz NAZNUVHAWGFQRO-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000578193798 366379482 /nfs/dbraw/zinc/37/94/82/366379482.db2.gz WJKQUGUPFKRGQF-UPJWGTAASA-N 2 1 249.358 1.975 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623372904 356882485 /nfs/dbraw/zinc/88/24/85/356882485.db2.gz KZNKHWNPPRBWJW-LBPRGKRZSA-N 2 1 236.363 1.383 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623372904 356882490 /nfs/dbraw/zinc/88/24/90/356882490.db2.gz KZNKHWNPPRBWJW-LBPRGKRZSA-N 2 1 236.363 1.383 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383932 356909212 /nfs/dbraw/zinc/90/92/12/356909212.db2.gz HYLHPHOZXPEHSN-CHWSQXEVSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)CC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000360673942 356910145 /nfs/dbraw/zinc/91/01/45/356910145.db2.gz DIUIWCQCDXWVAU-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2COC2)CC1(C)C ZINC000623760455 356915212 /nfs/dbraw/zinc/91/52/12/356915212.db2.gz AWUQREORLWZELY-NSHDSACASA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000361267153 356924008 /nfs/dbraw/zinc/92/40/08/356924008.db2.gz QRMRPINTRHCHFZ-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP OC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000390644583 357109478 /nfs/dbraw/zinc/10/94/78/357109478.db2.gz LZKWIKRDCVUVQT-UHFFFAOYSA-N 2 1 224.348 1.118 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000389984335 357079280 /nfs/dbraw/zinc/07/92/80/357079280.db2.gz LFAKQOVZTXQAGQ-LLVKDONJSA-N 2 1 214.328 1.808 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000389984335 357079283 /nfs/dbraw/zinc/07/92/83/357079283.db2.gz LFAKQOVZTXQAGQ-LLVKDONJSA-N 2 1 214.328 1.808 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000390683047 357113888 /nfs/dbraw/zinc/11/38/88/357113888.db2.gz YNHJMGMHDAILGA-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000390683047 357113891 /nfs/dbraw/zinc/11/38/91/357113891.db2.gz YNHJMGMHDAILGA-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000390683047 357113896 /nfs/dbraw/zinc/11/38/96/357113896.db2.gz YNHJMGMHDAILGA-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000390683047 357113901 /nfs/dbraw/zinc/11/39/01/357113901.db2.gz YNHJMGMHDAILGA-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304329419 357162798 /nfs/dbraw/zinc/16/27/98/357162798.db2.gz UUMYMFUJBTZORV-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000391161623 357124339 /nfs/dbraw/zinc/12/43/39/357124339.db2.gz NMDKRNZWYZHGJO-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP CCC[NH+](CCC)C[C@@H](O)C[N@H+](C)CC ZINC000393736204 357294546 /nfs/dbraw/zinc/29/45/46/357294546.db2.gz JMDKDMDUJWEGTB-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP CCC[NH+](CCC)C[C@@H](O)C[N@@H+](C)CC ZINC000393736204 357294551 /nfs/dbraw/zinc/29/45/51/357294551.db2.gz JMDKDMDUJWEGTB-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000628425600 357252137 /nfs/dbraw/zinc/25/21/37/357252137.db2.gz PWYMOGDTZQRBQG-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000628425446 357252767 /nfs/dbraw/zinc/25/27/67/357252767.db2.gz LIKXJDGTMGZRIH-AGIUHOORSA-N 2 1 210.365 1.964 20 0 BDADMP C[NH2+]C[C@@H](C)CNc1[nH]c2ccccc2[nH+]1 ZINC000168331558 134197877 /nfs/dbraw/zinc/19/78/77/134197877.db2.gz IMDNOWUOJQGXPW-SECBINFHSA-N 2 1 218.304 1.830 20 0 BDADMP Cn1c2ccccc2[nH+]c1NCC(C)(C)[NH3+] ZINC000168400838 134197968 /nfs/dbraw/zinc/19/79/68/134197968.db2.gz LEQZGAJHJCEIGO-UHFFFAOYSA-N 2 1 218.304 1.723 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccncc1 ZINC000423284483 192677605 /nfs/dbraw/zinc/67/76/05/192677605.db2.gz YBNZRIRIKDSYAP-PWSUYJOCSA-N 2 1 207.321 1.716 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](C)C(C)(C)C ZINC000394265804 357342084 /nfs/dbraw/zinc/34/20/84/357342084.db2.gz PYFXOEDNIKFNNT-SNVBAGLBSA-N 2 1 202.342 1.029 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C ZINC000394265804 357342087 /nfs/dbraw/zinc/34/20/87/357342087.db2.gz PYFXOEDNIKFNNT-SNVBAGLBSA-N 2 1 202.342 1.029 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C ZINC000394265804 357342093 /nfs/dbraw/zinc/34/20/93/357342093.db2.gz PYFXOEDNIKFNNT-SNVBAGLBSA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)C ZINC000394265804 357342095 /nfs/dbraw/zinc/34/20/95/357342095.db2.gz PYFXOEDNIKFNNT-SNVBAGLBSA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)C ZINC000394265804 357342102 /nfs/dbraw/zinc/34/21/02/357342102.db2.gz PYFXOEDNIKFNNT-SNVBAGLBSA-N 2 1 202.342 1.029 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397313915 357511776 /nfs/dbraw/zinc/51/17/76/357511776.db2.gz PXOQJIWPRWXAPD-VOAKCMCISA-N 2 1 228.380 1.574 20 0 BDADMP CC(C)C[C@@H](N)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063125106 357531448 /nfs/dbraw/zinc/53/14/48/357531448.db2.gz LKNRSIMKILDFRD-CQSZACIVSA-N 2 1 241.423 1.633 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN(C)CC1CC[NH+](C)CC1 ZINC000063125106 357531450 /nfs/dbraw/zinc/53/14/50/357531450.db2.gz LKNRSIMKILDFRD-CQSZACIVSA-N 2 1 241.423 1.633 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1CO ZINC000189745482 357667546 /nfs/dbraw/zinc/66/75/46/357667546.db2.gz KCNOYJUZTFCMEO-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]1CO ZINC000189745482 357667551 /nfs/dbraw/zinc/66/75/51/357667551.db2.gz KCNOYJUZTFCMEO-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]1CO ZINC000189745482 357667554 /nfs/dbraw/zinc/66/75/54/357667554.db2.gz KCNOYJUZTFCMEO-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)COCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000232636913 357669679 /nfs/dbraw/zinc/66/96/79/357669679.db2.gz BOKCLXRTTKKAKZ-CYBMUJFWSA-N 2 1 230.396 1.964 20 0 BDADMP CCC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000190245276 357697213 /nfs/dbraw/zinc/69/72/13/357697213.db2.gz KEZOTBZVQIVIKN-CYBMUJFWSA-N 2 1 238.375 1.773 20 0 BDADMP CCC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000190245276 357697214 /nfs/dbraw/zinc/69/72/14/357697214.db2.gz KEZOTBZVQIVIKN-CYBMUJFWSA-N 2 1 238.375 1.773 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000192567043 357844349 /nfs/dbraw/zinc/84/43/49/357844349.db2.gz YVUZRHFEEDRTNN-QWHCGFSZSA-N 2 1 249.358 1.911 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217505077 134248743 /nfs/dbraw/zinc/24/87/43/134248743.db2.gz ZCJWRLPSNNPVIB-NEPJUHHUSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623420303 358160600 /nfs/dbraw/zinc/16/06/00/358160600.db2.gz XTTGOXQOMOOQHB-WDEREUQCSA-N 2 1 214.353 1.220 20 0 BDADMP Cc1[nH+]ccn1C/C=C\Cn1cc[nH+]c1C ZINC000584733711 358164575 /nfs/dbraw/zinc/16/45/75/358164575.db2.gz QUBSLFSGDUDXDQ-ARJAWSKDSA-N 2 1 216.288 1.953 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000622017003 370664487 /nfs/dbraw/zinc/66/44/87/370664487.db2.gz XMGUMZSCXJHDAG-MWLCHTKSSA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000622017003 370664491 /nfs/dbraw/zinc/66/44/91/370664491.db2.gz XMGUMZSCXJHDAG-MWLCHTKSSA-N 2 1 248.317 1.076 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226330619 358337428 /nfs/dbraw/zinc/33/74/28/358337428.db2.gz XQEWHBHTGFVYIV-OLZOCXBDSA-N 3 1 227.396 1.576 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000226330619 358337432 /nfs/dbraw/zinc/33/74/32/358337432.db2.gz XQEWHBHTGFVYIV-OLZOCXBDSA-N 3 1 227.396 1.576 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000226330619 358337435 /nfs/dbraw/zinc/33/74/35/358337435.db2.gz XQEWHBHTGFVYIV-OLZOCXBDSA-N 3 1 227.396 1.576 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000226865328 358346026 /nfs/dbraw/zinc/34/60/26/358346026.db2.gz NMJODPFECKVZHB-FDYHWXHSSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCN1C ZINC000226865328 358346028 /nfs/dbraw/zinc/34/60/28/358346028.db2.gz NMJODPFECKVZHB-FDYHWXHSSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000226865328 358346029 /nfs/dbraw/zinc/34/60/29/358346029.db2.gz NMJODPFECKVZHB-FDYHWXHSSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000226865328 358346031 /nfs/dbraw/zinc/34/60/31/358346031.db2.gz NMJODPFECKVZHB-FDYHWXHSSA-N 3 1 225.380 1.329 20 0 BDADMP CCc1[nH+]ccn1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402435 358374493 /nfs/dbraw/zinc/37/44/93/358374493.db2.gz IBPSVRNUOARVKP-UHFFFAOYSA-N 2 1 235.291 1.071 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000044659220 358392529 /nfs/dbraw/zinc/39/25/29/358392529.db2.gz MZWWXDVKJHYOQT-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000045037686 358399979 /nfs/dbraw/zinc/39/99/79/358399979.db2.gz BMVLYLSTWRTXSL-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124562998 358518330 /nfs/dbraw/zinc/51/83/30/358518330.db2.gz BWPOVNIOGIIFJR-ZDUSSCGKSA-N 2 1 235.375 1.847 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683937 358551315 /nfs/dbraw/zinc/55/13/15/358551315.db2.gz KWNTWBGDRLZWRZ-CYBMUJFWSA-N 2 1 237.391 1.297 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000045657425 358564377 /nfs/dbraw/zinc/56/43/77/358564377.db2.gz WZBGEEUIMDKZOT-FVCCEPFGSA-N 2 1 228.380 1.587 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CO)C1 ZINC000049774084 358700444 /nfs/dbraw/zinc/70/04/44/358700444.db2.gz LGHIGZXFUQWJOZ-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000049774084 358700445 /nfs/dbraw/zinc/70/04/45/358700445.db2.gz LGHIGZXFUQWJOZ-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CO)C1 ZINC000049774084 358700446 /nfs/dbraw/zinc/70/04/46/358700446.db2.gz LGHIGZXFUQWJOZ-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](O)C1 ZINC000049773526 358700536 /nfs/dbraw/zinc/70/05/36/358700536.db2.gz XTWZNTCZGIEMQK-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](O)C1 ZINC000049773526 358700538 /nfs/dbraw/zinc/70/05/38/358700538.db2.gz XTWZNTCZGIEMQK-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](O)C1 ZINC000049773526 358700539 /nfs/dbraw/zinc/70/05/39/358700539.db2.gz XTWZNTCZGIEMQK-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH2+][C@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000214054738 358753542 /nfs/dbraw/zinc/75/35/42/358753542.db2.gz OYYGSOKKMHBKSM-NSHDSACASA-N 2 1 235.331 1.192 20 0 BDADMP C[N@@H+](CCCF)C[C@@H]1CCC[NH+](C)C1 ZINC000133426589 358754348 /nfs/dbraw/zinc/75/43/48/358754348.db2.gz JXRLASJSXSUHKE-LLVKDONJSA-N 2 1 202.317 1.620 20 0 BDADMP C[NH+](CCCF)C[C@@H]1CCC[N@H+](C)C1 ZINC000133426589 358754352 /nfs/dbraw/zinc/75/43/52/358754352.db2.gz JXRLASJSXSUHKE-LLVKDONJSA-N 2 1 202.317 1.620 20 0 BDADMP C[NH+](CCCF)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133426589 358754354 /nfs/dbraw/zinc/75/43/54/358754354.db2.gz JXRLASJSXSUHKE-LLVKDONJSA-N 2 1 202.317 1.620 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]2C[NH3+])c1 ZINC000214125460 358759166 /nfs/dbraw/zinc/75/91/66/358759166.db2.gz XWZWRQSOFMCDMX-GFCCVEGCSA-N 2 1 235.331 1.322 20 0 BDADMP COc1ccc(C[N@H+](C)CCC[NH3+])c(OC)c1 ZINC000133730895 358766831 /nfs/dbraw/zinc/76/68/31/358766831.db2.gz QPSDCDBLKCQTEK-UHFFFAOYSA-N 2 1 238.331 1.484 20 0 BDADMP COc1ccc(C[N@@H+](C)CCC[NH3+])c(OC)c1 ZINC000133730895 358766833 /nfs/dbraw/zinc/76/68/33/358766833.db2.gz QPSDCDBLKCQTEK-UHFFFAOYSA-N 2 1 238.331 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000132484694 358724723 /nfs/dbraw/zinc/72/47/23/358724723.db2.gz KQAXJRZDJVRVHX-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC2)[C@H](C)C1 ZINC000132687215 358732721 /nfs/dbraw/zinc/73/27/21/358732721.db2.gz KZACCRYISZBHSO-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP CC1CC(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000622017527 370665126 /nfs/dbraw/zinc/66/51/26/370665126.db2.gz VFRJLXHVAKAZDA-GCZXYKMCSA-N 2 1 226.364 1.077 20 0 BDADMP CC1CC(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000622017527 370665131 /nfs/dbraw/zinc/66/51/31/370665131.db2.gz VFRJLXHVAKAZDA-GCZXYKMCSA-N 2 1 226.364 1.077 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000086403812 358968106 /nfs/dbraw/zinc/96/81/06/358968106.db2.gz ONIHXTBLRPIGGI-NXEZZACHSA-N 2 1 209.293 1.343 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246429203 359083132 /nfs/dbraw/zinc/08/31/32/359083132.db2.gz NCJDXNFGOJJOGB-QWHCGFSZSA-N 2 1 228.380 1.589 20 0 BDADMP CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246786319 359164005 /nfs/dbraw/zinc/16/40/05/359164005.db2.gz MBTYGOTXDJKUMA-WCQYABFASA-N 2 1 208.349 1.955 20 0 BDADMP CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246786319 359164009 /nfs/dbraw/zinc/16/40/09/359164009.db2.gz MBTYGOTXDJKUMA-WCQYABFASA-N 2 1 208.349 1.955 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246962603 359177570 /nfs/dbraw/zinc/17/75/70/359177570.db2.gz BBHBRXFIWVQHJE-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248182667 359258865 /nfs/dbraw/zinc/25/88/65/359258865.db2.gz WRYCUMFPGAYTPL-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248182667 359258869 /nfs/dbraw/zinc/25/88/69/359258869.db2.gz WRYCUMFPGAYTPL-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248182667 359258873 /nfs/dbraw/zinc/25/88/73/359258873.db2.gz WRYCUMFPGAYTPL-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3cccn3)CC[C@H]21 ZINC000247957819 359248912 /nfs/dbraw/zinc/24/89/12/359248912.db2.gz FUXRIEHIUMEXSR-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3cccn3)CC[C@H]21 ZINC000247957819 359248920 /nfs/dbraw/zinc/24/89/20/359248920.db2.gz FUXRIEHIUMEXSR-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3cccn3)CC[C@H]21 ZINC000247957819 359248927 /nfs/dbraw/zinc/24/89/27/359248927.db2.gz FUXRIEHIUMEXSR-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3cccn3)CC[C@H]21 ZINC000247957819 359248930 /nfs/dbraw/zinc/24/89/30/359248930.db2.gz FUXRIEHIUMEXSR-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423420983 192749261 /nfs/dbraw/zinc/74/92/61/192749261.db2.gz BYKKAOLUCKZPLY-ZZVYKPCYSA-N 2 1 216.328 1.863 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623443754 359333825 /nfs/dbraw/zinc/33/38/25/359333825.db2.gz MDVHRWZLSKBJBZ-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000379606440 359565735 /nfs/dbraw/zinc/56/57/35/359565735.db2.gz QPINURAOYSMURU-SNVBAGLBSA-N 2 1 200.301 1.420 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000379606440 359565738 /nfs/dbraw/zinc/56/57/38/359565738.db2.gz QPINURAOYSMURU-SNVBAGLBSA-N 2 1 200.301 1.420 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000379572389 359549078 /nfs/dbraw/zinc/54/90/78/359549078.db2.gz WKGNGTCXQJXORL-SDDRHHMPSA-N 2 1 208.349 1.574 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351627236 366535295 /nfs/dbraw/zinc/53/52/95/366535295.db2.gz ILBCAILBEFRASK-XBFCOCLRSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351627236 366535303 /nfs/dbraw/zinc/53/53/03/366535303.db2.gz ILBCAILBEFRASK-XBFCOCLRSA-N 2 1 240.391 1.610 20 0 BDADMP CN(CC[N@@H+](C)CCCF)C1CC[NH+](C)CC1 ZINC000180959066 366561923 /nfs/dbraw/zinc/56/19/23/366561923.db2.gz SNSPURTUJVPTJH-UHFFFAOYSA-N 2 1 245.386 1.304 20 0 BDADMP CC(C)CCOCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088329847 359946961 /nfs/dbraw/zinc/94/69/61/359946961.db2.gz NHPYDONJUXJJBP-BETUJISGSA-N 2 1 226.364 1.200 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(COC)c2)C1 ZINC000088555238 359965484 /nfs/dbraw/zinc/96/54/84/359965484.db2.gz WJWZSZRJZIVTKH-OAHLLOKOSA-N 2 1 248.370 1.874 20 0 BDADMP CCc1cc(N2CCCC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000088760587 359977617 /nfs/dbraw/zinc/97/76/17/359977617.db2.gz SEDAXSMFFPYGSL-LBPRGKRZSA-N 2 1 234.347 1.665 20 0 BDADMP CCc1cc(N2CCC[C@H](CC[NH3+])C2)nc(C)[nH+]1 ZINC000088760657 359977677 /nfs/dbraw/zinc/97/76/77/359977677.db2.gz LBYDMMWDJLRJKM-GFCCVEGCSA-N 2 1 248.374 1.913 20 0 BDADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N(C)C ZINC000089147997 359994070 /nfs/dbraw/zinc/99/40/70/359994070.db2.gz OJQAHQHCXQZMPK-MGPQQGTHSA-N 2 1 241.423 1.680 20 0 BDADMP C[NH+](C)C1CC[NH+](CC2=CCCOC2)CC1 ZINC000091671523 360122885 /nfs/dbraw/zinc/12/28/85/360122885.db2.gz DHJNXNNZZNMYCR-UHFFFAOYSA-N 2 1 224.348 1.359 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C[C@H]1CC=CCC1 ZINC000309527830 491150040 /nfs/dbraw/zinc/15/00/40/491150040.db2.gz CMNDWMDBEDJHHS-LBPRGKRZSA-N 2 1 219.332 1.909 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)n1 ZINC000629407478 361056085 /nfs/dbraw/zinc/05/60/85/361056085.db2.gz BCMSSDRQAANRSR-GMXVVIOVSA-N 2 1 249.358 1.361 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc(F)cc2)CCOCC1 ZINC000629387564 361040512 /nfs/dbraw/zinc/04/05/12/361040512.db2.gz MIPYEKFTZHMBTQ-UHFFFAOYSA-N 2 1 238.306 1.423 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629388338 361040524 /nfs/dbraw/zinc/04/05/24/361040524.db2.gz MWGLVLGJINWPJN-ZOBORPQBSA-N 2 1 237.391 1.343 20 0 BDADMP CCc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629388492 361041405 /nfs/dbraw/zinc/04/14/05/361041405.db2.gz SDGMSKCDICPVJE-UHFFFAOYSA-N 2 1 248.370 1.847 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+])C1CC1 ZINC000629515067 361113043 /nfs/dbraw/zinc/11/30/43/361113043.db2.gz QKDRQETZUXQDMU-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+])C1CC1 ZINC000629515067 361113050 /nfs/dbraw/zinc/11/30/50/361113050.db2.gz QKDRQETZUXQDMU-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+])C1CC1 ZINC000629515065 361113143 /nfs/dbraw/zinc/11/31/43/361113143.db2.gz QKDRQETZUXQDMU-IACUBPJLSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+])C1CC1 ZINC000629515065 361113147 /nfs/dbraw/zinc/11/31/47/361113147.db2.gz QKDRQETZUXQDMU-IACUBPJLSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000629520137 361115410 /nfs/dbraw/zinc/11/54/10/361115410.db2.gz UECOTXCTSUZOLA-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000629520137 361115414 /nfs/dbraw/zinc/11/54/14/361115414.db2.gz UECOTXCTSUZOLA-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](COC)C1CCCC1 ZINC000629527446 361130226 /nfs/dbraw/zinc/13/02/26/361130226.db2.gz VTTAVZFDSGZMDN-BFHYXJOUSA-N 2 1 240.391 1.922 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1)C1CC1 ZINC000629528445 361136661 /nfs/dbraw/zinc/13/66/61/361136661.db2.gz ZIGPMZLXGJAMBN-IACUBPJLSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1)C1CC1 ZINC000629528447 361137236 /nfs/dbraw/zinc/13/72/36/361137236.db2.gz ZIGPMZLXGJAMBN-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C1(C)C ZINC000629526301 361127914 /nfs/dbraw/zinc/12/79/14/361127914.db2.gz PHZOTCWSCRLMLC-LOWDOPEQSA-N 2 1 240.391 1.920 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158591661 361205300 /nfs/dbraw/zinc/20/53/00/361205300.db2.gz AIIVTJRPLMAWSI-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CC(C)COCC[NH+]1CCC([NH3+])CC1 ZINC000158913461 361213624 /nfs/dbraw/zinc/21/36/24/361213624.db2.gz KWYQCGZIZVMVJY-UHFFFAOYSA-N 2 1 200.326 1.082 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000579005280 366694697 /nfs/dbraw/zinc/69/46/97/366694697.db2.gz UGURLOVPAYJQMJ-RDBSUJKOSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H](CC[NH3+])NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000579006275 366694061 /nfs/dbraw/zinc/69/40/61/366694061.db2.gz XVQVKRMBOQMIDB-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1ccn2ccnc2c1 ZINC000614275113 363767966 /nfs/dbraw/zinc/76/79/66/363767966.db2.gz GFNPPKSSUPHHSW-UHFFFAOYSA-N 2 1 246.314 1.615 20 0 BDADMP CCCN(C)CC(=O)Nc1ccn2ccnc2c1 ZINC000614275113 363767969 /nfs/dbraw/zinc/76/79/69/363767969.db2.gz GFNPPKSSUPHHSW-UHFFFAOYSA-N 2 1 246.314 1.615 20 0 BDADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000429107856 201067789 /nfs/dbraw/zinc/06/77/89/201067789.db2.gz RTAOGYBIOFWPFD-CYBMUJFWSA-N 2 1 249.358 1.144 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1(CO)CCC1 ZINC000429233534 201080013 /nfs/dbraw/zinc/08/00/13/201080013.db2.gz MLRGLOMPZNIYBR-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1(CO)CCC1 ZINC000429233534 201080015 /nfs/dbraw/zinc/08/00/15/201080015.db2.gz MLRGLOMPZNIYBR-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1(CO)CCC1 ZINC000429233534 201080018 /nfs/dbraw/zinc/08/00/18/201080018.db2.gz MLRGLOMPZNIYBR-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)C1(CO)CCC1 ZINC000429232289 201081135 /nfs/dbraw/zinc/08/11/35/201081135.db2.gz AWIVBTJKAZQFQS-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP CCC[C@H](C)CCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000629539180 361405037 /nfs/dbraw/zinc/40/50/37/361405037.db2.gz VPESFBSPBNNEGB-NWDGAFQWSA-N 2 1 216.369 1.454 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535906 361397730 /nfs/dbraw/zinc/39/77/30/361397730.db2.gz DHZNECDGRHYESE-WOPDTQHZSA-N 3 1 213.369 1.234 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CCOC1 ZINC000629535000 361408197 /nfs/dbraw/zinc/40/81/97/361408197.db2.gz CCLHIELAHRXLNV-LOWDOPEQSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)[C@H]1CCOC1 ZINC000629535005 361408645 /nfs/dbraw/zinc/40/86/45/361408645.db2.gz CCLHIELAHRXLNV-RVMXOQNASA-N 2 1 226.364 1.532 20 0 BDADMP Nc1ncccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000629534809 361408841 /nfs/dbraw/zinc/40/88/41/361408841.db2.gz BHXQTTDPYVPNBP-JSGCOSHPSA-N 2 1 246.358 1.225 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000629545825 361426823 /nfs/dbraw/zinc/42/68/23/361426823.db2.gz CTINFGMDYXOXRH-DOERSZECSA-N 2 1 238.375 1.674 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000629548111 361432731 /nfs/dbraw/zinc/43/27/31/361432731.db2.gz CXBHBOLGZQBFBY-AVGNSLFASA-N 2 1 225.380 1.330 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000629548111 361432736 /nfs/dbraw/zinc/43/27/36/361432736.db2.gz CXBHBOLGZQBFBY-AVGNSLFASA-N 2 1 225.380 1.330 20 0 BDADMP CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000629552988 361437038 /nfs/dbraw/zinc/43/70/38/361437038.db2.gz CFCRBJLKYDZIIQ-WOPDTQHZSA-N 2 1 226.364 1.530 20 0 BDADMP CCCCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000629553545 361438354 /nfs/dbraw/zinc/43/83/54/361438354.db2.gz XDHXDNYZFONJJY-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000629553299 361439130 /nfs/dbraw/zinc/43/91/30/361439130.db2.gz IDNFIFLIHBOZFS-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C[NH2+]1 ZINC000629542388 361418995 /nfs/dbraw/zinc/41/89/95/361418995.db2.gz YNEXSQLLVGUJCN-IKWCTNDRSA-N 3 1 225.380 1.234 20 0 BDADMP CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564491 361459460 /nfs/dbraw/zinc/45/94/60/361459460.db2.gz LNBAQWNDAKEFFC-DTWKUNHWSA-N 2 1 224.270 1.856 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000629570836 361460751 /nfs/dbraw/zinc/46/07/51/361460751.db2.gz NNSSNOQFTPSJMF-GFCCVEGCSA-N 2 1 237.347 1.310 20 0 BDADMP FCC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580705 361469882 /nfs/dbraw/zinc/46/98/82/361469882.db2.gz FACFRZGVFOCJMN-NWDGAFQWSA-N 2 1 230.327 1.046 20 0 BDADMP CC(C)COCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596393 361483855 /nfs/dbraw/zinc/48/38/55/361483855.db2.gz YBWJUJLDVAKFGT-OKILXGFUSA-N 2 1 240.391 1.590 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596393 361483860 /nfs/dbraw/zinc/48/38/60/361483860.db2.gz YBWJUJLDVAKFGT-OKILXGFUSA-N 2 1 240.391 1.590 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594176 361485138 /nfs/dbraw/zinc/48/51/38/361485138.db2.gz LVKIDWQRURJOMD-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594176 361485143 /nfs/dbraw/zinc/48/51/43/361485143.db2.gz LVKIDWQRURJOMD-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000629594386 361486356 /nfs/dbraw/zinc/48/63/56/361486356.db2.gz BRRSJLIWRUKUKY-FGXVQYDJSA-N 2 1 238.375 1.653 20 0 BDADMP COCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566530 361457107 /nfs/dbraw/zinc/45/71/07/361457107.db2.gz ZLTQZNVXWUANCO-IUCAKERBSA-N 2 1 240.269 1.092 20 0 BDADMP COCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566530 361457113 /nfs/dbraw/zinc/45/71/13/361457113.db2.gz ZLTQZNVXWUANCO-IUCAKERBSA-N 2 1 240.269 1.092 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC[NH+](C)C)[C@H](C)C1 ZINC000151921992 201187801 /nfs/dbraw/zinc/18/78/01/201187801.db2.gz WHINNSFCBLSKAR-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+](C)C)[C@H](C)C1 ZINC000151921992 201187804 /nfs/dbraw/zinc/18/78/04/201187804.db2.gz WHINNSFCBLSKAR-OLZOCXBDSA-N 3 1 227.396 1.258 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+](C)C)[C@H](C)C1 ZINC000151921992 201187807 /nfs/dbraw/zinc/18/78/07/201187807.db2.gz WHINNSFCBLSKAR-OLZOCXBDSA-N 3 1 227.396 1.258 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccn(C)c1 ZINC000629646812 361535641 /nfs/dbraw/zinc/53/56/41/361535641.db2.gz FKIVJTRKMXXCJF-CMPLNLGQSA-N 2 1 207.321 1.194 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000629651957 361558473 /nfs/dbraw/zinc/55/84/73/361558473.db2.gz QREZDUXQSGYBRE-CHWSQXEVSA-N 2 1 224.348 1.392 20 0 BDADMP CC[C@H]1C[N@@H+](CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000629651960 361559182 /nfs/dbraw/zinc/55/91/82/361559182.db2.gz QREZDUXQSGYBRE-STQMWFEESA-N 2 1 224.348 1.392 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648049 361538910 /nfs/dbraw/zinc/53/89/10/361538910.db2.gz FUJGJEJVFDBJBB-MBNYWOFBSA-N 2 1 235.375 1.830 20 0 BDADMP C1=C(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)COCC1 ZINC000629655374 361560687 /nfs/dbraw/zinc/56/06/87/361560687.db2.gz VNWWMRLYDPOJMD-STQMWFEESA-N 2 1 222.332 1.017 20 0 BDADMP C1=C(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)COCC1 ZINC000629655374 361560691 /nfs/dbraw/zinc/56/06/91/361560691.db2.gz VNWWMRLYDPOJMD-STQMWFEESA-N 2 1 222.332 1.017 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC1=CCCOC1)C1CCCCC1 ZINC000629647952 361539168 /nfs/dbraw/zinc/53/91/68/361539168.db2.gz LQLMUGVBICHDCO-AWEZNQCLSA-N 2 1 238.375 1.830 20 0 BDADMP Cn1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000629647850 361539219 /nfs/dbraw/zinc/53/92/19/361539219.db2.gz BXIIENBAWZCHBX-NSHDSACASA-N 2 1 209.337 1.488 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC1=CCCOC1)C1CCCCC1 ZINC000629647953 361539251 /nfs/dbraw/zinc/53/92/51/361539251.db2.gz LQLMUGVBICHDCO-CQSZACIVSA-N 2 1 238.375 1.830 20 0 BDADMP COCc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000629649208 361543819 /nfs/dbraw/zinc/54/38/19/361543819.db2.gz MAUSIXSFSZQWEP-QWRGUYRKSA-N 2 1 238.331 1.786 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccn(C)c1 ZINC000629649893 361546780 /nfs/dbraw/zinc/54/67/80/361546780.db2.gz JVWCGXHAEUFATP-CMPLNLGQSA-N 2 1 207.321 1.337 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[NH2+]C23CCCC3)COCC1 ZINC000629650173 361548184 /nfs/dbraw/zinc/54/81/84/361548184.db2.gz QAJXWAKRJNCBRM-ZDUSSCGKSA-N 2 1 236.359 1.597 20 0 BDADMP Cc1cnccc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000629652337 361549365 /nfs/dbraw/zinc/54/93/65/361549365.db2.gz AGBSNNQJIPFDNI-GFCCVEGCSA-N 2 1 205.305 1.217 20 0 BDADMP COC1(C[N@@H+](C)C2CC[NH2+]CC2)CCCC1 ZINC000629651190 361555967 /nfs/dbraw/zinc/55/59/67/361555967.db2.gz BYOCBAWHGPISEC-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651132 361556077 /nfs/dbraw/zinc/55/60/77/361556077.db2.gz AJUVKVPAGQGXPG-LBPRGKRZSA-N 2 1 244.338 1.743 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@H]1[NH3+] ZINC000629651789 361557535 /nfs/dbraw/zinc/55/75/35/361557535.db2.gz JQASNMREZQSPGR-CMPLNLGQSA-N 2 1 207.321 1.194 20 0 BDADMP C[C@@H]1[C@H](O)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000448549108 201215345 /nfs/dbraw/zinc/21/53/45/201215345.db2.gz XABXSVSPFBUMQA-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1[C@H](O)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000448549108 201215348 /nfs/dbraw/zinc/21/53/48/201215348.db2.gz XABXSVSPFBUMQA-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1[C@H](O)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000448549108 201215350 /nfs/dbraw/zinc/21/53/50/201215350.db2.gz XABXSVSPFBUMQA-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H]1[C@H](CO)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000448549297 201218667 /nfs/dbraw/zinc/21/86/67/201218667.db2.gz FQVIVCMGVDDMHA-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1[C@H](CO)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000448549297 201218669 /nfs/dbraw/zinc/21/86/69/201218669.db2.gz FQVIVCMGVDDMHA-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@H](C)C1 ZINC000153127065 201221712 /nfs/dbraw/zinc/22/17/12/201221712.db2.gz YAHRIYBSWOHYLL-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629668624 361588318 /nfs/dbraw/zinc/58/83/18/361588318.db2.gz YNHMFDOZYRSHHK-OKILXGFUSA-N 2 1 248.374 1.458 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629668624 361588324 /nfs/dbraw/zinc/58/83/24/361588324.db2.gz YNHMFDOZYRSHHK-OKILXGFUSA-N 2 1 248.374 1.458 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)C(C)C ZINC000153743492 201247398 /nfs/dbraw/zinc/24/73/98/201247398.db2.gz BGSYTZWKNXCWIP-LBPRGKRZSA-N 2 1 216.369 1.589 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)C ZINC000153743492 201247399 /nfs/dbraw/zinc/24/73/99/201247399.db2.gz BGSYTZWKNXCWIP-LBPRGKRZSA-N 2 1 216.369 1.589 20 0 BDADMP CCC[N@@H+](CCC[NH2+]C)C[C@@H]1CCCCO1 ZINC000435880339 201291734 /nfs/dbraw/zinc/29/17/34/201291734.db2.gz ONYBZAADUMYBJU-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP CC(C)[NH+]1CCC(NC[C@H]2CCC[N@H+]2C)CC1 ZINC000154638117 201288031 /nfs/dbraw/zinc/28/80/31/201288031.db2.gz UQWSTMVPAXWPOP-CQSZACIVSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000154638117 201288034 /nfs/dbraw/zinc/28/80/34/201288034.db2.gz UQWSTMVPAXWPOP-CQSZACIVSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)nc2)C1 ZINC000155441854 201334799 /nfs/dbraw/zinc/33/47/99/201334799.db2.gz QZGMQSROJBVDSA-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)nc2)C1 ZINC000155441854 201334803 /nfs/dbraw/zinc/33/48/03/201334803.db2.gz QZGMQSROJBVDSA-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000155735844 201349272 /nfs/dbraw/zinc/34/92/72/201349272.db2.gz KHIMKAGBPJIWIM-QWHCGFSZSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000155735844 201349274 /nfs/dbraw/zinc/34/92/74/201349274.db2.gz KHIMKAGBPJIWIM-QWHCGFSZSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000155735844 201349278 /nfs/dbraw/zinc/34/92/78/201349278.db2.gz KHIMKAGBPJIWIM-QWHCGFSZSA-N 2 1 227.396 1.399 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCOC2)CCN1C ZINC000438105832 201390456 /nfs/dbraw/zinc/39/04/56/201390456.db2.gz PEFHJSHXFNIHSO-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCOC2)CC[N@@H+]1C ZINC000438105832 201390459 /nfs/dbraw/zinc/39/04/59/201390459.db2.gz PEFHJSHXFNIHSO-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCOC2)CC[N@H+]1C ZINC000438105832 201390463 /nfs/dbraw/zinc/39/04/63/201390463.db2.gz PEFHJSHXFNIHSO-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCOC2)CC[NH+]1C ZINC000438105832 201390466 /nfs/dbraw/zinc/39/04/66/201390466.db2.gz PEFHJSHXFNIHSO-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCOC2)CC[NH+]1C ZINC000438105832 201390468 /nfs/dbraw/zinc/39/04/68/201390468.db2.gz PEFHJSHXFNIHSO-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CCc1cc(N[C@@H]2CC[NH2+][C@H]2CC)nc(C)[nH+]1 ZINC000630526541 364213419 /nfs/dbraw/zinc/21/34/19/364213419.db2.gz YIHZEJPYGSQERG-NWDGAFQWSA-N 2 1 234.347 1.900 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000044513820 181365791 /nfs/dbraw/zinc/36/57/91/181365791.db2.gz RHCYBZCUNQAEPQ-UHFFFAOYSA-N 2 1 236.319 1.118 20 0 BDADMP Cc1ccc2ncc(C[N@H+](C)CCC[NH3+])n2c1 ZINC000573323318 364799681 /nfs/dbraw/zinc/79/96/81/364799681.db2.gz BWLPPFRRQWPHIM-UHFFFAOYSA-N 2 1 232.331 1.423 20 0 BDADMP Cc1ccc2ncc(C[N@@H+](C)CCC[NH3+])n2c1 ZINC000573323318 364799685 /nfs/dbraw/zinc/79/96/85/364799685.db2.gz BWLPPFRRQWPHIM-UHFFFAOYSA-N 2 1 232.331 1.423 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000573641232 364881525 /nfs/dbraw/zinc/88/15/25/364881525.db2.gz HPAJNSDRJLUCST-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000168568305 364961811 /nfs/dbraw/zinc/96/18/11/364961811.db2.gz HFNDQTUVSPPCSD-SRVKXCTJSA-N 2 1 212.337 1.225 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)[C@@H](C)C1 ZINC000248496857 541430209 /nfs/dbraw/zinc/43/02/09/541430209.db2.gz QXZJSBAKRHSORI-STQMWFEESA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+]CCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000036883465 181379403 /nfs/dbraw/zinc/37/94/03/181379403.db2.gz YQUAVKNRIYOMAD-UHFFFAOYSA-N 2 1 204.317 2.000 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C[C@@H]1C ZINC000574050128 364976824 /nfs/dbraw/zinc/97/68/24/364976824.db2.gz BVFOWPJFJQVCRD-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C[C@@H]1C ZINC000574050128 364976830 /nfs/dbraw/zinc/97/68/30/364976830.db2.gz BVFOWPJFJQVCRD-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000574050128 364976834 /nfs/dbraw/zinc/97/68/34/364976834.db2.gz BVFOWPJFJQVCRD-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000574050128 364976843 /nfs/dbraw/zinc/97/68/43/364976843.db2.gz BVFOWPJFJQVCRD-NWDGAFQWSA-N 2 1 228.380 1.419 20 0 BDADMP COC[C@H](C)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000574749559 365132295 /nfs/dbraw/zinc/13/22/95/365132295.db2.gz KDBCVCJXZUUCLC-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442924014 193004900 /nfs/dbraw/zinc/00/49/00/193004900.db2.gz XDQMIFJUBUGORY-LBPRGKRZSA-N 2 1 236.363 1.587 20 0 BDADMP CC[C@@H](C)[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000443002573 193010526 /nfs/dbraw/zinc/01/05/26/193010526.db2.gz PHUZDZUKWORACX-BDAKNGLRSA-N 2 1 238.335 1.844 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CCOCC1 ZINC000399085053 365425719 /nfs/dbraw/zinc/42/57/19/365425719.db2.gz UGFOWHXWKPRJCR-MDZLAQPJSA-N 2 1 226.364 1.532 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CNC1(c2ccccc2)CC1 ZINC000576169582 365509213 /nfs/dbraw/zinc/50/92/13/365509213.db2.gz LJCNVEUFUCWPMK-CQSZACIVSA-N 2 1 248.370 1.578 20 0 BDADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1C ZINC000382084445 367484144 /nfs/dbraw/zinc/48/41/44/367484144.db2.gz RYGSFMIDZQGTBA-UHFFFAOYSA-N 2 1 222.332 1.784 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000381621819 367440205 /nfs/dbraw/zinc/44/02/05/367440205.db2.gz AIGYYHWMVNLGCD-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCCC[NH2+]C1CC1 ZINC000382562843 367540768 /nfs/dbraw/zinc/54/07/68/367540768.db2.gz YRDKYXFCCKRFGY-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562843 367540776 /nfs/dbraw/zinc/54/07/76/367540776.db2.gz YRDKYXFCCKRFGY-DGCLKSJQSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562843 367540782 /nfs/dbraw/zinc/54/07/82/367540782.db2.gz YRDKYXFCCKRFGY-DGCLKSJQSA-N 3 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000581613086 367634314 /nfs/dbraw/zinc/63/43/14/367634314.db2.gz QZUZEFKHISEELV-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCOC1 ZINC000399161070 367707989 /nfs/dbraw/zinc/70/79/89/367707989.db2.gz CNOVILWUPCUPKS-KKOKHZNYSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](O)CN(C)CC ZINC000384040951 367669226 /nfs/dbraw/zinc/66/92/26/367669226.db2.gz UPKZBWHLPOTIBU-FRRDWIJNSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000384040951 367669228 /nfs/dbraw/zinc/66/92/28/367669228.db2.gz UPKZBWHLPOTIBU-FRRDWIJNSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000384040951 367669230 /nfs/dbraw/zinc/66/92/30/367669230.db2.gz UPKZBWHLPOTIBU-FRRDWIJNSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000384040951 367669232 /nfs/dbraw/zinc/66/92/32/367669232.db2.gz UPKZBWHLPOTIBU-FRRDWIJNSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000384040951 367669234 /nfs/dbraw/zinc/66/92/34/367669234.db2.gz UPKZBWHLPOTIBU-FRRDWIJNSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C[NH2+]1 ZINC000399152278 367691499 /nfs/dbraw/zinc/69/14/99/367691499.db2.gz ZVWOGCUZURZPMS-FZMZJTMJSA-N 2 1 230.355 1.884 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000384490361 367693835 /nfs/dbraw/zinc/69/38/35/367693835.db2.gz SVGCAOWYGQTURM-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000385027912 367774335 /nfs/dbraw/zinc/77/43/35/367774335.db2.gz JSUVIYMKACWBCN-SOUVJXGZSA-N 2 1 245.370 1.949 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000385036830 367777527 /nfs/dbraw/zinc/77/75/27/367777527.db2.gz MIWRNYUNUFDCNR-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000385036830 367777533 /nfs/dbraw/zinc/77/75/33/367777533.db2.gz MIWRNYUNUFDCNR-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1nc2ccccn2c1C[N@H+](C)CCC[NH3+] ZINC000581726467 367790602 /nfs/dbraw/zinc/79/06/02/367790602.db2.gz OAZFRUKEEALNNK-UHFFFAOYSA-N 2 1 232.331 1.423 20 0 BDADMP Cc1nc2ccccn2c1C[N@@H+](C)CCC[NH3+] ZINC000581726467 367790604 /nfs/dbraw/zinc/79/06/04/367790604.db2.gz OAZFRUKEEALNNK-UHFFFAOYSA-N 2 1 232.331 1.423 20 0 BDADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385412483 367827706 /nfs/dbraw/zinc/82/77/06/367827706.db2.gz ZKDOOUOWPHORSF-UPJWGTAASA-N 2 1 210.365 1.962 20 0 BDADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385412483 367827707 /nfs/dbraw/zinc/82/77/07/367827707.db2.gz ZKDOOUOWPHORSF-UPJWGTAASA-N 2 1 210.365 1.962 20 0 BDADMP CS[C@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386108311 367913113 /nfs/dbraw/zinc/91/31/13/367913113.db2.gz KZXBFHIIYSRAGN-GMTAPVOTSA-N 2 1 216.394 1.858 20 0 BDADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000566219095 326016526 /nfs/dbraw/zinc/01/65/26/326016526.db2.gz ALNNJYIWEUISRO-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386584155 367997445 /nfs/dbraw/zinc/99/74/45/367997445.db2.gz PQXBOCBZUTXXTD-NWDGAFQWSA-N 2 1 228.380 1.658 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386584152 367997494 /nfs/dbraw/zinc/99/74/94/367997494.db2.gz PQXBOCBZUTXXTD-NEPJUHHUSA-N 2 1 228.380 1.658 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000252789156 368063503 /nfs/dbraw/zinc/06/35/03/368063503.db2.gz RKIAOQOSBHUMED-SDDRHHMPSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2nccs2)CC[NH2+]1 ZINC000387300639 368144831 /nfs/dbraw/zinc/14/48/31/368144831.db2.gz NIJPGSMRTAFDJL-QWRGUYRKSA-N 2 1 239.388 1.963 20 0 BDADMP OCCCCC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000066665136 368657497 /nfs/dbraw/zinc/65/74/97/368657497.db2.gz HFLQYPNCXRHGGZ-AWEZNQCLSA-N 2 1 240.391 1.709 20 0 BDADMP OCCCCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000066665136 368657502 /nfs/dbraw/zinc/65/75/02/368657502.db2.gz HFLQYPNCXRHGGZ-AWEZNQCLSA-N 2 1 240.391 1.709 20 0 BDADMP CC(C)n1ncnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000088586077 368917907 /nfs/dbraw/zinc/91/79/07/368917907.db2.gz PKQYIMKDXJALIO-UHFFFAOYSA-N 2 1 237.351 1.030 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000631829099 369004547 /nfs/dbraw/zinc/00/45/47/369004547.db2.gz GYEYMLVSUORCFS-BXUZGUMPSA-N 2 1 248.374 1.734 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836863 369084462 /nfs/dbraw/zinc/08/44/62/369084462.db2.gz IEIRHZDMSFJHSE-ZWNOBZJWSA-N 2 1 219.332 1.417 20 0 BDADMP COCC[N@@H+](CCc1cncn1C)C1CC1 ZINC000459289139 203246859 /nfs/dbraw/zinc/24/68/59/203246859.db2.gz AXUIZZWGXMGFMN-UHFFFAOYSA-N 2 1 223.320 1.073 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000402138843 369380339 /nfs/dbraw/zinc/38/03/39/369380339.db2.gz LITXSXRJVJBONK-WISYIIOYSA-N 2 1 212.337 1.284 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000459639179 203326399 /nfs/dbraw/zinc/32/63/99/203326399.db2.gz VAXHNEUBCHNKDC-BETUJISGSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459724947 203341147 /nfs/dbraw/zinc/34/11/47/203341147.db2.gz FJASZJHSBOYESI-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CCCOC2)C1 ZINC000459744736 203351106 /nfs/dbraw/zinc/35/11/06/203351106.db2.gz XTLUFZMAESMYOS-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000621249397 370183200 /nfs/dbraw/zinc/18/32/00/370183200.db2.gz RLGHDHXRWNLEHR-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000621249397 370183204 /nfs/dbraw/zinc/18/32/04/370183204.db2.gz RLGHDHXRWNLEHR-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252882216 370138106 /nfs/dbraw/zinc/13/81/06/370138106.db2.gz ZGCLQYZWMKLWDW-RWMBFGLXSA-N 2 1 226.364 1.471 20 0 BDADMP COC[C@@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309574654 370231981 /nfs/dbraw/zinc/23/19/81/370231981.db2.gz OHHGNIVJEWYEBJ-RWMBFGLXSA-N 2 1 226.364 1.200 20 0 BDADMP CCOc1cncc(C[NH2+]C2CCN(C)CC2)c1 ZINC000621326317 370257479 /nfs/dbraw/zinc/25/74/79/370257479.db2.gz FDSIVTJGXSYIIG-UHFFFAOYSA-N 2 1 249.358 1.664 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621372119 370310147 /nfs/dbraw/zinc/31/01/47/370310147.db2.gz PMPRXSGNPJCRQE-ZIAGYGMSSA-N 2 1 242.407 1.669 20 0 BDADMP CC[C@H](COC)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000568273447 326339204 /nfs/dbraw/zinc/33/92/04/326339204.db2.gz RWBZIFGWAATAAO-GFCCVEGCSA-N 2 1 237.347 1.662 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc(C)c2)C1 ZINC000621773784 370518492 /nfs/dbraw/zinc/51/84/92/370518492.db2.gz BSQKJTKMFBWBFU-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000621773784 370518497 /nfs/dbraw/zinc/51/84/97/370518497.db2.gz BSQKJTKMFBWBFU-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000621776288 370524127 /nfs/dbraw/zinc/52/41/27/370524127.db2.gz IBGSZWHVSOGUHL-AAEUAGOBSA-N 2 1 236.363 1.257 20 0 BDADMP CCn1cc(CC[NH+]2CCC3(CC[NH2+]3)CC2)cn1 ZINC000621776265 370524633 /nfs/dbraw/zinc/52/46/33/370524633.db2.gz HKMFJGWHANIQKW-UHFFFAOYSA-N 2 1 248.374 1.273 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2ccnc(C)c2)C[C@H]1C[NH3+] ZINC000621776649 370525413 /nfs/dbraw/zinc/52/54/13/370525413.db2.gz RDDPDOIDSDGRNN-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2ccnc(C)c2)C[C@H]1C[NH3+] ZINC000621776649 370525414 /nfs/dbraw/zinc/52/54/14/370525414.db2.gz RDDPDOIDSDGRNN-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccn1 ZINC000621776588 370526084 /nfs/dbraw/zinc/52/60/84/370526084.db2.gz PQFDCLPQCZJVGG-RISCZKNCSA-N 2 1 233.359 1.807 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000631890341 371005697 /nfs/dbraw/zinc/00/56/97/371005697.db2.gz OVQZZJZXNOCPCV-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000631890341 371005704 /nfs/dbraw/zinc/00/57/04/371005704.db2.gz OVQZZJZXNOCPCV-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000624309601 371471605 /nfs/dbraw/zinc/47/16/05/371471605.db2.gz RSMXPCCUVOPGBK-MQYQWHSLSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](C)(O)C1 ZINC000161890288 371578336 /nfs/dbraw/zinc/57/83/36/371578336.db2.gz TVGZXACRYXXBJO-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@](C)(O)C1 ZINC000161890288 371578341 /nfs/dbraw/zinc/57/83/41/371578341.db2.gz TVGZXACRYXXBJO-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000230463830 371913887 /nfs/dbraw/zinc/91/38/87/371913887.db2.gz JAJJHFKDIIARNX-RGDJUOJXSA-N 2 1 238.375 1.242 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]C1)C1CCSCC1 ZINC000229220129 372128263 /nfs/dbraw/zinc/12/82/63/372128263.db2.gz OQFAABUCMWDGLS-LLVKDONJSA-N 2 1 214.378 1.471 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)F)CC[N@@H+]1C ZINC000631657508 372483952 /nfs/dbraw/zinc/48/39/52/372483952.db2.gz DPEPEJPWZUYUAO-NXEZZACHSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)F)CC[N@H+]1C ZINC000631657508 372483954 /nfs/dbraw/zinc/48/39/54/372483954.db2.gz DPEPEJPWZUYUAO-NXEZZACHSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820502 372593234 /nfs/dbraw/zinc/59/32/34/372593234.db2.gz BBWWORVPCJPKGN-RYUDHWBXSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631820489 372593839 /nfs/dbraw/zinc/59/38/39/372593839.db2.gz AXGGHBKZSJJKOF-GFCCVEGCSA-N 2 1 246.354 1.540 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631821372 372595464 /nfs/dbraw/zinc/59/54/64/372595464.db2.gz WJROGGZVZZHCAB-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822081 372598548 /nfs/dbraw/zinc/59/85/48/372598548.db2.gz SDIBYOXXGHSFMP-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822081 372598553 /nfs/dbraw/zinc/59/85/53/372598553.db2.gz SDIBYOXXGHSFMP-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP C([C@H]1CCCCO1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000631828485 372608631 /nfs/dbraw/zinc/60/86/31/372608631.db2.gz PZXPSOFNYSVKAI-GFCCVEGCSA-N 2 1 224.348 1.383 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000631828014 372609343 /nfs/dbraw/zinc/60/93/43/372609343.db2.gz BZIFNICWOITAGH-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000631836985 372625737 /nfs/dbraw/zinc/62/57/37/372625737.db2.gz KXOMWVKWTPKPHC-UJPOAAIJSA-N 2 1 208.349 1.559 20 0 BDADMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838943 372634417 /nfs/dbraw/zinc/63/44/17/372634417.db2.gz XHXREPUQNAOPIU-DGCLKSJQSA-N 2 1 234.343 1.722 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840025 372636121 /nfs/dbraw/zinc/63/61/21/372636121.db2.gz OJXSJWZVYJMDGC-NQBHXWOUSA-N 2 1 219.332 1.669 20 0 BDADMP Cc1cccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843190 372640876 /nfs/dbraw/zinc/64/08/76/372640876.db2.gz KDNSMHMLXCPQRW-ZIAGYGMSSA-N 2 1 248.370 1.900 20 0 BDADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865494 372666731 /nfs/dbraw/zinc/66/67/31/372666731.db2.gz CKBVFZMQEDKXPH-CYBMUJFWSA-N 2 1 248.370 1.794 20 0 BDADMP FC(F)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000631865805 372666769 /nfs/dbraw/zinc/66/67/69/372666769.db2.gz ONBAVKDNWJFJQS-QWRGUYRKSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000631865805 372666773 /nfs/dbraw/zinc/66/67/73/372666773.db2.gz ONBAVKDNWJFJQS-QWRGUYRKSA-N 2 1 248.317 1.342 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631883898 372679741 /nfs/dbraw/zinc/67/97/41/372679741.db2.gz DAWMGYCYFGWGLD-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP COCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890083 372683606 /nfs/dbraw/zinc/68/36/06/372683606.db2.gz LZXDMOWLJNOQSO-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890083 372683613 /nfs/dbraw/zinc/68/36/13/372683613.db2.gz LZXDMOWLJNOQSO-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000379754780 373055872 /nfs/dbraw/zinc/05/58/72/373055872.db2.gz SUXOGWRBNMGPCR-PWSUYJOCSA-N 2 1 210.321 1.002 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)O)[C@H](C)C1 ZINC000173647403 205545084 /nfs/dbraw/zinc/54/50/84/205545084.db2.gz ZTPMKOLFQFEDGW-GHMZBOCLSA-N 2 1 214.353 1.077 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430130228 206062782 /nfs/dbraw/zinc/06/27/82/206062782.db2.gz WDDBXEBOLZXFKB-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430130228 206062786 /nfs/dbraw/zinc/06/27/86/206062786.db2.gz WDDBXEBOLZXFKB-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430130228 206062792 /nfs/dbraw/zinc/06/27/92/206062792.db2.gz WDDBXEBOLZXFKB-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000450449629 206103411 /nfs/dbraw/zinc/10/34/11/206103411.db2.gz FRASPVFNMOZFRF-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H]1COC[C@H](C)[N@@H+]1CC1CC[NH2+]CC1 ZINC000178974764 134314364 /nfs/dbraw/zinc/31/43/64/134314364.db2.gz IEBGETRPCQVODL-PHIMTYICSA-N 2 1 212.337 1.095 20 0 BDADMP OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280476942 183076093 /nfs/dbraw/zinc/07/60/93/183076093.db2.gz PHSZPZOBZOWOSV-GASCZTMLSA-N 2 1 246.354 1.043 20 0 BDADMP OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280476942 183076095 /nfs/dbraw/zinc/07/60/95/183076095.db2.gz PHSZPZOBZOWOSV-GASCZTMLSA-N 2 1 246.354 1.043 20 0 BDADMP OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280476942 183076099 /nfs/dbraw/zinc/07/60/99/183076099.db2.gz PHSZPZOBZOWOSV-GASCZTMLSA-N 2 1 246.354 1.043 20 0 BDADMP CCCC[C@H](COC)[NH2+]CCn1cc[nH+]c1C ZINC000360948002 169003505 /nfs/dbraw/zinc/00/35/05/169003505.db2.gz PGWMMTNZFKQKDN-CYBMUJFWSA-N 2 1 239.363 1.986 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503687 169007606 /nfs/dbraw/zinc/00/76/06/169007606.db2.gz MJCVXOHSJFQLFZ-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)C(C)C)CC1 ZINC000336721989 169186396 /nfs/dbraw/zinc/18/63/96/169186396.db2.gz XTUPBSKRJKGYOY-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000328531741 169189134 /nfs/dbraw/zinc/18/91/34/169189134.db2.gz XTIGUEGOFHOKCS-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000128915596 169190093 /nfs/dbraw/zinc/19/00/93/169190093.db2.gz HZKLIVOMQNXFMC-CYBMUJFWSA-N 3 1 239.407 1.593 20 0 BDADMP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000336401558 183339616 /nfs/dbraw/zinc/33/96/16/183339616.db2.gz LXPKLUVPBAGJRZ-GFCCVEGCSA-N 2 1 234.347 1.231 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCOC1 ZINC000222830592 134335356 /nfs/dbraw/zinc/33/53/56/134335356.db2.gz RZJHVOKIWDMQHS-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC000341009126 171084544 /nfs/dbraw/zinc/08/45/44/171084544.db2.gz LMEPQFPIKUKNOE-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000341009126 171084545 /nfs/dbraw/zinc/08/45/45/171084545.db2.gz LMEPQFPIKUKNOE-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000341009126 171084547 /nfs/dbraw/zinc/08/45/47/171084547.db2.gz LMEPQFPIKUKNOE-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000226417653 134365905 /nfs/dbraw/zinc/36/59/05/134365905.db2.gz XGRGUFYAIMNEJE-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000226417653 134365906 /nfs/dbraw/zinc/36/59/06/134365906.db2.gz XGRGUFYAIMNEJE-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226864145 134370430 /nfs/dbraw/zinc/37/04/30/134370430.db2.gz SYNXIPMXSDPGEW-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP c1ccc2[nH+]c(NC[C@H]3CC[NH2+]C3)[nH]c2c1 ZINC000087655228 383858612 /nfs/dbraw/zinc/85/86/12/383858612.db2.gz JIMOZSDWLQXJIW-VIFPVBQESA-N 2 1 216.288 1.584 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C)CCC1)C1CC1 ZINC000309386854 383867182 /nfs/dbraw/zinc/86/71/82/383867182.db2.gz HCINOFDYZBOGTN-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C)CCC1)C1CC1 ZINC000309386854 383867187 /nfs/dbraw/zinc/86/71/87/383867187.db2.gz HCINOFDYZBOGTN-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCOCC(F)(F)F ZINC000309318960 383876465 /nfs/dbraw/zinc/87/64/65/383876465.db2.gz PVJFXZKPNVUAPA-IUCAKERBSA-N 2 1 240.269 1.377 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000113516220 383989648 /nfs/dbraw/zinc/98/96/48/383989648.db2.gz ILLCNTRIUGNEGI-AWEZNQCLSA-N 2 1 248.370 1.949 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000113516220 383989658 /nfs/dbraw/zinc/98/96/58/383989658.db2.gz ILLCNTRIUGNEGI-AWEZNQCLSA-N 2 1 248.370 1.949 20 0 BDADMP CC[C@H](COC)[NH2+]CCn1cc[nH+]c1C ZINC000070625587 383945786 /nfs/dbraw/zinc/94/57/86/383945786.db2.gz XFYYZIAOIOZGJY-LLVKDONJSA-N 2 1 211.309 1.206 20 0 BDADMP Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC000292443690 384027663 /nfs/dbraw/zinc/02/76/63/384027663.db2.gz YNNHAZSFVWKQRD-CQSZACIVSA-N 2 1 246.358 1.625 20 0 BDADMP Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC000292443690 384027670 /nfs/dbraw/zinc/02/76/70/384027670.db2.gz YNNHAZSFVWKQRD-CQSZACIVSA-N 2 1 246.358 1.625 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119957035 384035012 /nfs/dbraw/zinc/03/50/12/384035012.db2.gz CYVUCRULXCJEKB-GXFFZTMASA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000357799221 384057967 /nfs/dbraw/zinc/05/79/67/384057967.db2.gz IWUMLCXWDMCLMB-XQQFMLRXSA-N 2 1 242.407 1.854 20 0 BDADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000357799221 384057975 /nfs/dbraw/zinc/05/79/75/384057975.db2.gz IWUMLCXWDMCLMB-XQQFMLRXSA-N 2 1 242.407 1.854 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000569458665 384065606 /nfs/dbraw/zinc/06/56/06/384065606.db2.gz GQYARGMVSQQATI-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000224137398 384169196 /nfs/dbraw/zinc/16/91/96/384169196.db2.gz KHWBHFHPOVHIKR-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000224137398 384169199 /nfs/dbraw/zinc/16/91/99/384169199.db2.gz KHWBHFHPOVHIKR-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000092299539 384170807 /nfs/dbraw/zinc/17/08/07/384170807.db2.gz UMZOEVSQZZSARG-LBPRGKRZSA-N 2 1 246.354 1.846 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnn1C ZINC000300124096 384220761 /nfs/dbraw/zinc/22/07/61/384220761.db2.gz UJNKEQFLEGLEBX-XQQFMLRXSA-N 2 1 248.374 1.698 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnn1C ZINC000300124096 384220766 /nfs/dbraw/zinc/22/07/66/384220766.db2.gz UJNKEQFLEGLEBX-XQQFMLRXSA-N 2 1 248.374 1.698 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000319239328 384222820 /nfs/dbraw/zinc/22/28/20/384222820.db2.gz WKJJVQOZZTUGCY-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000042471333 384226266 /nfs/dbraw/zinc/22/62/66/384226266.db2.gz OFSQSGKSOVWDHY-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000069626523 384246939 /nfs/dbraw/zinc/24/69/39/384246939.db2.gz IVQUQWXEVBJHII-GFCCVEGCSA-N 2 1 226.364 1.474 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000644166638 384257511 /nfs/dbraw/zinc/25/75/11/384257511.db2.gz BFHOTHCINIFLNK-XXILOJSOSA-N 2 1 222.336 1.639 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000173887785 384275568 /nfs/dbraw/zinc/27/55/68/384275568.db2.gz QONSYUWEQSGOGJ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000173887785 384275574 /nfs/dbraw/zinc/27/55/74/384275574.db2.gz QONSYUWEQSGOGJ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000173887785 384275581 /nfs/dbraw/zinc/27/55/81/384275581.db2.gz QONSYUWEQSGOGJ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCOC)C1 ZINC000173908925 384283763 /nfs/dbraw/zinc/28/37/63/384283763.db2.gz OHVCKFGASBXKKR-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCOC)C1 ZINC000173908925 384283769 /nfs/dbraw/zinc/28/37/69/384283769.db2.gz OHVCKFGASBXKKR-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCOC)C1 ZINC000173908925 384283777 /nfs/dbraw/zinc/28/37/77/384283777.db2.gz OHVCKFGASBXKKR-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCC2CC2)C1 ZINC000173914009 384284624 /nfs/dbraw/zinc/28/46/24/384284624.db2.gz XQWHJHSLVXLVKI-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCC2CC2)C1 ZINC000173914009 384284629 /nfs/dbraw/zinc/28/46/29/384284629.db2.gz XQWHJHSLVXLVKI-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000173914009 384284634 /nfs/dbraw/zinc/28/46/34/384284634.db2.gz XQWHJHSLVXLVKI-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000173914009 384284637 /nfs/dbraw/zinc/28/46/37/384284637.db2.gz XQWHJHSLVXLVKI-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP COCCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300055651 384285864 /nfs/dbraw/zinc/28/58/64/384285864.db2.gz JJBXPAVMVUYQAU-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CO1 ZINC000401929017 384292321 /nfs/dbraw/zinc/29/23/21/384292321.db2.gz UKEQGLKUWSKKOH-ZYHUDNBSSA-N 2 1 210.321 1.015 20 0 BDADMP Cc1ccc(C)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313364231 384296136 /nfs/dbraw/zinc/29/61/36/384296136.db2.gz XOVQUOQRWSVRPF-HNNXBMFYSA-N 2 1 248.370 1.853 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc2ccccn12 ZINC000647509184 384337193 /nfs/dbraw/zinc/33/71/93/384337193.db2.gz SERPAOGMWHJHOG-VXGBXAGGSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc2ccccn12 ZINC000647509181 384337264 /nfs/dbraw/zinc/33/72/64/384337264.db2.gz SERPAOGMWHJHOG-NEPJUHHUSA-N 2 1 244.342 1.503 20 0 BDADMP Cc1cc[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)c1 ZINC000095071220 384339000 /nfs/dbraw/zinc/33/90/00/384339000.db2.gz MWVKFSCIZAQTJT-LLVKDONJSA-N 2 1 205.305 1.436 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccnc1 ZINC000276664668 384503653 /nfs/dbraw/zinc/50/36/53/384503653.db2.gz OGWGNBZUFKSQMO-NSHDSACASA-N 2 1 230.315 1.708 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000397318426 384509874 /nfs/dbraw/zinc/50/98/74/384509874.db2.gz ADHFCUDVSYANCL-MDZLAQPJSA-N 2 1 236.363 1.225 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N)nc2)CCN1C ZINC000647517464 384489730 /nfs/dbraw/zinc/48/97/30/384489730.db2.gz ORVXTIISIDJKCF-YPMHNXCESA-N 2 1 248.374 1.409 20 0 BDADMP COC1(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000319853982 384515316 /nfs/dbraw/zinc/51/53/16/384515316.db2.gz LGMOUGNTDUVWLS-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000249820562 384522635 /nfs/dbraw/zinc/52/26/35/384522635.db2.gz LEQPRSXEEDVMLO-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647179692 384531810 /nfs/dbraw/zinc/53/18/10/384531810.db2.gz LCVPUFTYSKABJM-WZRBSPASSA-N 2 1 237.347 1.595 20 0 BDADMP CCC[C@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000300769818 384544589 /nfs/dbraw/zinc/54/45/89/384544589.db2.gz AQBQPEMTSZUWEN-NSHDSACASA-N 2 1 202.342 1.330 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643058135 384561726 /nfs/dbraw/zinc/56/17/26/384561726.db2.gz FVGNVJVGFQPPCC-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)CC(C)(C)[NH3+] ZINC000086189571 384617451 /nfs/dbraw/zinc/61/74/51/384617451.db2.gz YTYXMWQJOCNLSJ-LLVKDONJSA-N 2 1 213.369 1.140 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309766149 384596063 /nfs/dbraw/zinc/59/60/63/384596063.db2.gz NTCQBSJPJQBIHT-JHJVBQTASA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309766149 384596068 /nfs/dbraw/zinc/59/60/68/384596068.db2.gz NTCQBSJPJQBIHT-JHJVBQTASA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000309826643 384647762 /nfs/dbraw/zinc/64/77/62/384647762.db2.gz XKRVXRIKZLJJHS-RYUDHWBXSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000044535231 384659691 /nfs/dbraw/zinc/65/96/91/384659691.db2.gz OAATWPFSBKPWJG-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000044535231 384659699 /nfs/dbraw/zinc/65/96/99/384659699.db2.gz OAATWPFSBKPWJG-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP Cc1ncc(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000049538883 384680406 /nfs/dbraw/zinc/68/04/06/384680406.db2.gz BDBTXNACXTUZLK-SNVBAGLBSA-N 2 1 225.361 1.683 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCOC1 ZINC000363700396 384709365 /nfs/dbraw/zinc/70/93/65/384709365.db2.gz WBLZUTHRUIKWFS-RWMBFGLXSA-N 2 1 249.358 1.460 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cn[nH]c1 ZINC000300414219 384778847 /nfs/dbraw/zinc/77/88/47/384778847.db2.gz JSPFEGMTNGCCNZ-UHTWSYAYSA-N 2 1 234.347 1.687 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000309929949 384729087 /nfs/dbraw/zinc/72/90/87/384729087.db2.gz XLDPRLKNKDWMGV-UPJWGTAASA-N 2 1 227.396 1.256 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cn[nH]c1 ZINC000300414219 384778854 /nfs/dbraw/zinc/77/88/54/384778854.db2.gz JSPFEGMTNGCCNZ-UHTWSYAYSA-N 2 1 234.347 1.687 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547181 384737301 /nfs/dbraw/zinc/73/73/01/384737301.db2.gz PZALJPALUJBDJS-SRVKXCTJSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000647550513 384745906 /nfs/dbraw/zinc/74/59/06/384745906.db2.gz VHYHAURSUDPQMW-STQMWFEESA-N 2 1 240.391 1.517 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000309971152 384748492 /nfs/dbraw/zinc/74/84/92/384748492.db2.gz PNKGSILWNIUGRN-GFCCVEGCSA-N 2 1 226.364 1.344 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000300409938 384768736 /nfs/dbraw/zinc/76/87/36/384768736.db2.gz CQUOTEQPPQICLN-ZIAGYGMSSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300409938 384768740 /nfs/dbraw/zinc/76/87/40/384768740.db2.gz CQUOTEQPPQICLN-ZIAGYGMSSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300409938 384768745 /nfs/dbraw/zinc/76/87/45/384768745.db2.gz CQUOTEQPPQICLN-ZIAGYGMSSA-N 2 1 241.423 1.789 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000335010700 384789152 /nfs/dbraw/zinc/78/91/52/384789152.db2.gz KWPDHBXBGJTTIJ-VXGBXAGGSA-N 2 1 205.305 1.359 20 0 BDADMP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)C[NH3+] ZINC000042437760 384794939 /nfs/dbraw/zinc/79/49/39/384794939.db2.gz XHXWLZCAZLXXBY-NSHDSACASA-N 2 1 228.723 1.091 20 0 BDADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)C[NH3+] ZINC000042437760 384794945 /nfs/dbraw/zinc/79/49/45/384794945.db2.gz XHXWLZCAZLXXBY-NSHDSACASA-N 2 1 228.723 1.091 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC(O)C1 ZINC000084446296 384869803 /nfs/dbraw/zinc/86/98/03/384869803.db2.gz ABPQBBIGZHMTTR-LQVBTDEGSA-N 2 1 226.364 1.076 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nccn1C ZINC000423363579 384842431 /nfs/dbraw/zinc/84/24/31/384842431.db2.gz AAOMFXDPWWNQJU-TUAOUCFPSA-N 2 1 236.363 1.731 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000310120881 384844753 /nfs/dbraw/zinc/84/47/53/384844753.db2.gz DOTMKUBCLKMNJJ-UONOGXRCSA-N 2 1 240.391 1.590 20 0 BDADMP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000362975196 384845775 /nfs/dbraw/zinc/84/57/75/384845775.db2.gz DQEZGOSURHLWQO-YPMHNXCESA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH3+] ZINC000398220698 384850495 /nfs/dbraw/zinc/85/04/95/384850495.db2.gz WBSQUPZULSSWSX-ZFWWWQNUSA-N 2 1 247.386 1.445 20 0 BDADMP CSCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177061925 384856392 /nfs/dbraw/zinc/85/63/92/384856392.db2.gz VBHXDZSOMXARSU-WDEREUQCSA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177061925 384856395 /nfs/dbraw/zinc/85/63/95/384856395.db2.gz VBHXDZSOMXARSU-WDEREUQCSA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177061925 384856400 /nfs/dbraw/zinc/85/64/00/384856400.db2.gz VBHXDZSOMXARSU-WDEREUQCSA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177061925 384856405 /nfs/dbraw/zinc/85/64/05/384856405.db2.gz VBHXDZSOMXARSU-WDEREUQCSA-N 2 1 216.394 1.764 20 0 BDADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000310163846 384867034 /nfs/dbraw/zinc/86/70/34/384867034.db2.gz RVCZVLKYHOZKOD-AWEZNQCLSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H](C[NH2+]Cc1cnc2ccccn12)C[NH+](C)C ZINC000644414833 384867854 /nfs/dbraw/zinc/86/78/54/384867854.db2.gz BJCBDZCAMPOMSW-GFCCVEGCSA-N 2 1 246.358 1.622 20 0 BDADMP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])c(C)c1 ZINC000259050716 384951677 /nfs/dbraw/zinc/95/16/77/384951677.db2.gz PUPYVVVJRYMBOD-CYBMUJFWSA-N 2 1 222.332 1.055 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)nc1 ZINC000156600449 384903402 /nfs/dbraw/zinc/90/34/02/384903402.db2.gz GQIIEKVDFWHMDD-OLZOCXBDSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000644522453 384926419 /nfs/dbraw/zinc/92/64/19/384926419.db2.gz ZPMVTKLYRGHUDA-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000644521928 384927810 /nfs/dbraw/zinc/92/78/10/384927810.db2.gz DDWMCUVGZXENSK-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000086110778 384986478 /nfs/dbraw/zinc/98/64/78/384986478.db2.gz PCXMDSXROJLMMW-KWQFWETISA-N 2 1 223.320 1.603 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000086110778 384986487 /nfs/dbraw/zinc/98/64/87/384986487.db2.gz PCXMDSXROJLMMW-KWQFWETISA-N 2 1 223.320 1.603 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCC1(C)C)C1CC1 ZINC000310433827 385054447 /nfs/dbraw/zinc/05/44/47/385054447.db2.gz TZVMTSKWBJZITE-OLZOCXBDSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCC1(C)C)C1CC1 ZINC000310433827 385054451 /nfs/dbraw/zinc/05/44/51/385054451.db2.gz TZVMTSKWBJZITE-OLZOCXBDSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH+](C)C1(C[NH2+][C@@H]2CCSC2)CCCC1 ZINC000105838447 385060306 /nfs/dbraw/zinc/06/03/06/385060306.db2.gz AGMNDATYYICVQT-LLVKDONJSA-N 2 1 228.405 1.956 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000644664430 385077036 /nfs/dbraw/zinc/07/70/36/385077036.db2.gz NQBUGTRRMCXBNL-YUTCNCBUSA-N 2 1 238.375 1.077 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000644664430 385077041 /nfs/dbraw/zinc/07/70/41/385077041.db2.gz NQBUGTRRMCXBNL-YUTCNCBUSA-N 2 1 238.375 1.077 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000340501496 385081417 /nfs/dbraw/zinc/08/14/17/385081417.db2.gz IUUAQBWYFUKVLD-TUAOUCFPSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000340501496 385081421 /nfs/dbraw/zinc/08/14/21/385081421.db2.gz IUUAQBWYFUKVLD-TUAOUCFPSA-N 2 1 228.380 1.608 20 0 BDADMP COCC[N@@H+](C)[C@H]1CCC[NH+](CCOC)CC1 ZINC000156978896 385029622 /nfs/dbraw/zinc/02/96/22/385029622.db2.gz YGNPKMWBUXLGSF-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COCC[NH+](C)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000156978896 385029631 /nfs/dbraw/zinc/02/96/31/385029631.db2.gz YGNPKMWBUXLGSF-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COCC[NH+](C)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000156978896 385029635 /nfs/dbraw/zinc/02/96/35/385029635.db2.gz YGNPKMWBUXLGSF-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP C1CC12C[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424181273 385109310 /nfs/dbraw/zinc/10/93/10/385109310.db2.gz BTJNLRXZRCSBOR-QJPTWQEYSA-N 2 1 206.333 1.755 20 0 BDADMP C[N@H+]1CC[C@@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000647137713 385110576 /nfs/dbraw/zinc/11/05/76/385110576.db2.gz KFXHAYOIOHZFEM-SECBINFHSA-N 2 1 236.319 1.217 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000308813279 385181732 /nfs/dbraw/zinc/18/17/32/385181732.db2.gz AIOOFLIMYWNIEI-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CC[N@H+]1C ZINC000178161867 385195434 /nfs/dbraw/zinc/19/54/34/385195434.db2.gz DAJXDVBFFRSIQM-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C/C=C\c1ccccc1 ZINC000310649876 385143360 /nfs/dbraw/zinc/14/33/60/385143360.db2.gz PIFQQLJQHNJABH-XMELGKRDSA-N 2 1 248.370 1.602 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC23CC3)[C@@H](C)C1 ZINC000424320052 385161081 /nfs/dbraw/zinc/16/10/81/385161081.db2.gz IPTCDMJSBDZZMZ-SRVKXCTJSA-N 2 1 208.349 1.859 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000559757991 385164111 /nfs/dbraw/zinc/16/41/11/385164111.db2.gz ACMSOTBXGQOLMV-UHFFFAOYSA-N 2 1 241.423 1.744 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCOC3)C2)C1 ZINC000644784223 385169657 /nfs/dbraw/zinc/16/96/57/385169657.db2.gz WKKJNCGJSSBYPI-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCOC3)C2)C1 ZINC000644784223 385169662 /nfs/dbraw/zinc/16/96/62/385169662.db2.gz WKKJNCGJSSBYPI-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCOC3)C2)C1 ZINC000644784223 385169673 /nfs/dbraw/zinc/16/96/73/385169673.db2.gz WKKJNCGJSSBYPI-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1CCn1ccnc1 ZINC000189683183 385177011 /nfs/dbraw/zinc/17/70/11/385177011.db2.gz OXBRBAYLQHRHNL-GFCCVEGCSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@]1(C)C[NH3+] ZINC000309187576 385201330 /nfs/dbraw/zinc/20/13/30/385201330.db2.gz HGOIYWYGXKYDFG-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CCN(C)C ZINC000308860085 385221330 /nfs/dbraw/zinc/22/13/30/385221330.db2.gz PBPJJBWTVOEANP-RYUDHWBXSA-N 2 1 215.385 1.434 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2)[C@@H](C)C1 ZINC000252716269 385226992 /nfs/dbraw/zinc/22/69/92/385226992.db2.gz YAHRIYBSWOHYLL-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP CON1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000323070670 385244028 /nfs/dbraw/zinc/24/40/28/385244028.db2.gz PIOLQQCAYBKULI-WCQYABFASA-N 2 1 241.379 1.085 20 0 BDADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000323070670 385244030 /nfs/dbraw/zinc/24/40/30/385244030.db2.gz PIOLQQCAYBKULI-WCQYABFASA-N 2 1 241.379 1.085 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000308946047 385307614 /nfs/dbraw/zinc/30/76/14/385307614.db2.gz NRUHENCPWAQXIT-OLZOCXBDSA-N 2 1 208.349 1.859 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000299897463 385284978 /nfs/dbraw/zinc/28/49/78/385284978.db2.gz RALKXDSQCWHLHW-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000299897463 385284982 /nfs/dbraw/zinc/28/49/82/385284982.db2.gz RALKXDSQCWHLHW-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000299897819 385285173 /nfs/dbraw/zinc/28/51/73/385285173.db2.gz SKSCISOSDWMJSV-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1nccn1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158055879 385331931 /nfs/dbraw/zinc/33/19/31/385331931.db2.gz VMIRXLGNDBKONX-UONOGXRCSA-N 2 1 248.374 1.408 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158055879 385331937 /nfs/dbraw/zinc/33/19/37/385331937.db2.gz VMIRXLGNDBKONX-UONOGXRCSA-N 3 1 248.374 1.408 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158055879 385331943 /nfs/dbraw/zinc/33/19/43/385331943.db2.gz VMIRXLGNDBKONX-UONOGXRCSA-N 3 1 248.374 1.408 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2CCN(C)C[C@H]21)C1CC1 ZINC000425455242 385337928 /nfs/dbraw/zinc/33/79/28/385337928.db2.gz HPZBJNROEZEAKL-MRVWCRGKSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1C[N@H+](Cc2cnc3ccccn23)CC[C@H]1[NH3+] ZINC000647496481 385389743 /nfs/dbraw/zinc/38/97/43/385389743.db2.gz HPRAEYGFYOOVRJ-WCQYABFASA-N 2 1 244.342 1.503 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc3ccccn23)CC[C@H]1[NH3+] ZINC000647496481 385389747 /nfs/dbraw/zinc/38/97/47/385389747.db2.gz HPRAEYGFYOOVRJ-WCQYABFASA-N 2 1 244.342 1.503 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cccc2c[nH]nc21 ZINC000647497214 385406358 /nfs/dbraw/zinc/40/63/58/385406358.db2.gz AAFVMJDNKKQIPO-UHFFFAOYSA-N 2 1 218.304 1.344 20 0 BDADMP CC[C@@H]1C[N@@H+](CC(C)(C)COC)CC[C@H]1[NH3+] ZINC000647497869 385408403 /nfs/dbraw/zinc/40/84/03/385408403.db2.gz YLSMGJYOPYQVMY-VXGBXAGGSA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1[NH3+] ZINC000647497560 385409494 /nfs/dbraw/zinc/40/94/94/385409494.db2.gz MDRBYYLFOJHAFR-WCBMZHEXSA-N 2 1 240.376 1.115 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@H]1[NH3+] ZINC000647497560 385409496 /nfs/dbraw/zinc/40/94/96/385409496.db2.gz MDRBYYLFOJHAFR-WCBMZHEXSA-N 2 1 240.376 1.115 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1[NH3+] ZINC000647497559 385410776 /nfs/dbraw/zinc/41/07/76/385410776.db2.gz MDRBYYLFOJHAFR-SCZZXKLOSA-N 2 1 240.376 1.115 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@@H]1[NH3+] ZINC000647497559 385410778 /nfs/dbraw/zinc/41/07/78/385410778.db2.gz MDRBYYLFOJHAFR-SCZZXKLOSA-N 2 1 240.376 1.115 20 0 BDADMP C=Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000194354464 385431867 /nfs/dbraw/zinc/43/18/67/385431867.db2.gz CAXGLDYRHQXDKI-UONOGXRCSA-N 2 1 248.374 1.946 20 0 BDADMP CO[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000182213321 385434748 /nfs/dbraw/zinc/43/47/48/385434748.db2.gz DIMRCJPPWALXQW-UTUOFQBUSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000182213321 385434751 /nfs/dbraw/zinc/43/47/51/385434751.db2.gz DIMRCJPPWALXQW-UTUOFQBUSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182213321 385434755 /nfs/dbraw/zinc/43/47/55/385434755.db2.gz DIMRCJPPWALXQW-UTUOFQBUSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182213321 385434759 /nfs/dbraw/zinc/43/47/59/385434759.db2.gz DIMRCJPPWALXQW-UTUOFQBUSA-N 2 1 214.353 1.436 20 0 BDADMP C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000309208353 385482064 /nfs/dbraw/zinc/48/20/64/385482064.db2.gz BKPLUFQNOFNRMJ-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000309208353 385482067 /nfs/dbraw/zinc/48/20/67/385482067.db2.gz BKPLUFQNOFNRMJ-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000309208353 385482070 /nfs/dbraw/zinc/48/20/70/385482070.db2.gz BKPLUFQNOFNRMJ-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309208353 385482073 /nfs/dbraw/zinc/48/20/73/385482073.db2.gz BKPLUFQNOFNRMJ-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CC[N@H+]1C ZINC000156609527 385461271 /nfs/dbraw/zinc/46/12/71/385461271.db2.gz GFNDAEOGPGMGDF-DGCLKSJQSA-N 2 1 221.348 1.597 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000319097772 385542547 /nfs/dbraw/zinc/54/25/47/385542547.db2.gz WAQQDGXQDHINTG-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CCCN1CCCC1 ZINC000309352160 385544308 /nfs/dbraw/zinc/54/43/08/385544308.db2.gz MRVAEKUYHPHECI-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000643030412 385526372 /nfs/dbraw/zinc/52/63/72/385526372.db2.gz RMKPQJSTNYWVDG-DTWKUNHWSA-N 2 1 231.303 1.640 20 0 BDADMP COC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000319171260 385553551 /nfs/dbraw/zinc/55/35/51/385553551.db2.gz LVVZTFISURXVSW-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CCCN1CCCCC1 ZINC000309396115 385560919 /nfs/dbraw/zinc/56/09/19/385560919.db2.gz IKYXNSQVGIWZHX-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP CN(C[C@H](O)C[N@@H+](C)CCC1CC1)C1CC1 ZINC000309465117 385595635 /nfs/dbraw/zinc/59/56/35/385595635.db2.gz SNRGICZWQKWIBL-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)CCC1CC1)C1CC1 ZINC000309465117 385595637 /nfs/dbraw/zinc/59/56/37/385595637.db2.gz SNRGICZWQKWIBL-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CCC1CC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309465117 385595643 /nfs/dbraw/zinc/59/56/43/385595643.db2.gz SNRGICZWQKWIBL-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309429042 385579596 /nfs/dbraw/zinc/57/95/96/385579596.db2.gz FUFOIDBUOJGZKR-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H](C)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000182356820 385662572 /nfs/dbraw/zinc/66/25/72/385662572.db2.gz UMBDXRZYVLMNSZ-LLVKDONJSA-N 2 1 225.336 1.548 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000182356820 385662576 /nfs/dbraw/zinc/66/25/76/385662576.db2.gz UMBDXRZYVLMNSZ-LLVKDONJSA-N 2 1 225.336 1.548 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000414852237 385679851 /nfs/dbraw/zinc/67/98/51/385679851.db2.gz VUGOTMHIEZWMSD-NSHDSACASA-N 2 1 224.323 1.956 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309567740 385703069 /nfs/dbraw/zinc/70/30/69/385703069.db2.gz MRXMHTPKIKEBKT-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309567734 385703382 /nfs/dbraw/zinc/70/33/82/385703382.db2.gz MRXMHTPKIKEBKT-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP CCc1nn(C)c(CC)c1C[NH2+]CCC[NH2+]C ZINC000414857449 385730842 /nfs/dbraw/zinc/73/08/42/385730842.db2.gz DIUDVJNWRAABCE-UHFFFAOYSA-N 2 1 238.379 1.244 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414859680 385736469 /nfs/dbraw/zinc/73/64/69/385736469.db2.gz URUPQHDWLJUKDD-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414859680 385736471 /nfs/dbraw/zinc/73/64/71/385736471.db2.gz URUPQHDWLJUKDD-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414859680 385736474 /nfs/dbraw/zinc/73/64/74/385736474.db2.gz URUPQHDWLJUKDD-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414859719 385739136 /nfs/dbraw/zinc/73/91/36/385739136.db2.gz NHRCBUAOJUXGHH-UHFFFAOYSA-N 2 1 224.352 1.337 20 0 BDADMP c1cn(CC[N@H+]2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000270844503 385750559 /nfs/dbraw/zinc/75/05/59/385750559.db2.gz OGSPDEFYIWYDPO-VXGBXAGGSA-N 2 1 221.304 1.136 20 0 BDADMP CC(C)[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336655405 385758267 /nfs/dbraw/zinc/75/82/67/385758267.db2.gz KRXBIORDLGDEHY-ZDUSSCGKSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000309646985 385765545 /nfs/dbraw/zinc/76/55/45/385765545.db2.gz MOOQKPDLYHIZAN-GRYCIOLGSA-N 2 1 228.380 1.323 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309665074 385777107 /nfs/dbraw/zinc/77/71/07/385777107.db2.gz SXJQCWPLRJPNCF-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC12CCCC2 ZINC000309678215 385782600 /nfs/dbraw/zinc/78/26/00/385782600.db2.gz YPUCIWLOOORXIU-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CCCn1nc(C)c(C[NH2+]CCC[NH2+]C)c1C ZINC000414857220 385725662 /nfs/dbraw/zinc/72/56/62/385725662.db2.gz BWUJDINQAZBNDA-UHFFFAOYSA-N 2 1 238.379 1.609 20 0 BDADMP CCC[NH2+]CC[NH2+]CC(C)(C)COC ZINC000414867289 385799224 /nfs/dbraw/zinc/79/92/24/385799224.db2.gz IFJSPLSEPWUUKY-UHFFFAOYSA-N 2 1 202.342 1.248 20 0 BDADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nccn1C ZINC000271876887 385856990 /nfs/dbraw/zinc/85/69/90/385856990.db2.gz OJJIYHCFWQWEPY-CYBMUJFWSA-N 2 1 248.374 1.723 20 0 BDADMP C[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H](C)[NH3+] ZINC000521434459 385829536 /nfs/dbraw/zinc/82/95/36/385829536.db2.gz ZKPLHHSKPCHWGM-TUAOUCFPSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)[C@@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000283960238 385843398 /nfs/dbraw/zinc/84/33/98/385843398.db2.gz LMSHRAAUMSUHJD-LBPRGKRZSA-N 2 1 225.336 1.222 20 0 BDADMP Cn1cc(CC[N@@H+](C)CCCn2ccnc2)cn1 ZINC000271676016 385846034 /nfs/dbraw/zinc/84/60/34/385846034.db2.gz JAULPTDRNGIBLN-UHFFFAOYSA-N 2 1 247.346 1.181 20 0 BDADMP CCn1nc(C[NH2+]C[C@@H](C)C[NH3+])c2ccccc21 ZINC000414874702 385886768 /nfs/dbraw/zinc/88/67/68/385886768.db2.gz IVGZLVSVDYGNHP-NSHDSACASA-N 2 1 246.358 1.741 20 0 BDADMP CCC(CC)(CC)C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414963033 385889937 /nfs/dbraw/zinc/88/99/37/385889937.db2.gz KLHLELZBIVLTIQ-CYBMUJFWSA-N 2 1 241.423 1.696 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122354188 385913709 /nfs/dbraw/zinc/91/37/09/385913709.db2.gz GCYQIDRSUDGKFT-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP Cc1cnn(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000285393395 385922330 /nfs/dbraw/zinc/92/23/30/385922330.db2.gz HPPCPOSOHGONOJ-UHFFFAOYSA-N 2 1 247.346 1.413 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337995465 385871686 /nfs/dbraw/zinc/87/16/86/385871686.db2.gz MVKLSCSBIBSVCZ-UPJWGTAASA-N 2 1 246.370 1.417 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000414140641 385989801 /nfs/dbraw/zinc/98/98/01/385989801.db2.gz IZVDAFGDQHNSTL-XQHKEYJVSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000414140641 385989806 /nfs/dbraw/zinc/98/98/06/385989806.db2.gz IZVDAFGDQHNSTL-XQHKEYJVSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H](c1ccccn1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924129 385940300 /nfs/dbraw/zinc/94/03/00/385940300.db2.gz HMATXFKPXPUAPV-LLVKDONJSA-N 2 1 219.332 1.956 20 0 BDADMP Cc1noc(CCC[NH+]2CCC(C)([NH3+])CC2)n1 ZINC000647924206 385940604 /nfs/dbraw/zinc/94/06/04/385940604.db2.gz OOOGUZXZNKFPJM-UHFFFAOYSA-N 2 1 238.335 1.124 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000338280147 385946507 /nfs/dbraw/zinc/94/65/07/385946507.db2.gz KFQFHISQMBZVAL-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000338284554 385948969 /nfs/dbraw/zinc/94/89/69/385948969.db2.gz QYLHTCMTYPCQLH-UONOGXRCSA-N 2 1 241.423 1.743 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000414971649 385974919 /nfs/dbraw/zinc/97/49/19/385974919.db2.gz IMBFCRIDQDPLMT-SYQHCUMBSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000414154720 386003478 /nfs/dbraw/zinc/00/34/78/386003478.db2.gz UCGPPOQGUKPOSP-SYLRKERUSA-N 2 1 226.364 1.218 20 0 BDADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000345188406 386055810 /nfs/dbraw/zinc/05/58/10/386055810.db2.gz KMNRBZUBHITANS-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](CC2(OC)CCCC2)C1 ZINC000309484569 386012278 /nfs/dbraw/zinc/01/22/78/386012278.db2.gz FSWKJIUUQHGMMQ-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](CC2(OC)CCCC2)C1 ZINC000309484569 386012282 /nfs/dbraw/zinc/01/22/82/386012282.db2.gz FSWKJIUUQHGMMQ-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP CCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976424 386015769 /nfs/dbraw/zinc/01/57/69/386015769.db2.gz NQZOTDCKLKXKDP-VXGBXAGGSA-N 2 1 213.369 1.058 20 0 BDADMP CO[C@@H](C)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000273650508 386020121 /nfs/dbraw/zinc/02/01/21/386020121.db2.gz WMUZBWZKAIICKL-NSHDSACASA-N 2 1 237.347 1.662 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCC1CC[NH2+]CC1 ZINC000647869519 386020371 /nfs/dbraw/zinc/02/03/71/386020371.db2.gz LFOWPBPRQNZNLZ-AWEZNQCLSA-N 3 1 241.423 1.729 20 0 BDADMP COC(=O)c1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414882839 386020763 /nfs/dbraw/zinc/02/07/63/386020763.db2.gz URQYOOIPTXTCAQ-UHFFFAOYSA-N 2 1 248.326 1.444 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000345160840 386021961 /nfs/dbraw/zinc/02/19/61/386021961.db2.gz QDUPLACHYUQKOW-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414976421 386022235 /nfs/dbraw/zinc/02/22/35/386022235.db2.gz PYEMMNMRZUXZJO-LBPRGKRZSA-N 2 1 236.363 1.381 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CCOC)[C@H](C)C1 ZINC000414192880 386032687 /nfs/dbraw/zinc/03/26/87/386032687.db2.gz HVIXDMZCTMQPJR-MJBXVCDLSA-N 2 1 242.407 1.979 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414201741 386037286 /nfs/dbraw/zinc/03/72/86/386037286.db2.gz YLNHWPIRVSFHAH-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979233 386042438 /nfs/dbraw/zinc/04/24/38/386042438.db2.gz UHNIFTCFABTFFM-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000336749080 385995502 /nfs/dbraw/zinc/99/55/02/385995502.db2.gz UBAFCWIJCZMDGB-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336749080 385995507 /nfs/dbraw/zinc/99/55/07/385995507.db2.gz UBAFCWIJCZMDGB-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414888713 386102785 /nfs/dbraw/zinc/10/27/85/386102785.db2.gz SKLDKPPYPODLKP-OCCSQVGLSA-N 2 1 248.370 1.968 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)C(C)C ZINC000414295419 386103416 /nfs/dbraw/zinc/10/34/16/386103416.db2.gz NUYMTKLBMRUSSC-RFQIPJPRSA-N 2 1 242.407 1.854 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)C(C)C ZINC000414295419 386103422 /nfs/dbraw/zinc/10/34/22/386103422.db2.gz NUYMTKLBMRUSSC-RFQIPJPRSA-N 2 1 242.407 1.854 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000414205998 386058983 /nfs/dbraw/zinc/05/89/83/386058983.db2.gz PPLOAJOSKVVVMT-RWMBFGLXSA-N 2 1 228.380 1.589 20 0 BDADMP C[C@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C ZINC000608088725 386068564 /nfs/dbraw/zinc/06/85/64/386068564.db2.gz ONEVBXCOTUMVEA-VHSXEESVSA-N 2 1 245.330 1.853 20 0 BDADMP C[C@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1C ZINC000608088725 386068568 /nfs/dbraw/zinc/06/85/68/386068568.db2.gz ONEVBXCOTUMVEA-VHSXEESVSA-N 2 1 245.330 1.853 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404142 386076759 /nfs/dbraw/zinc/07/67/59/386076759.db2.gz OUJYRWYDGFKLSK-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414982538 386076854 /nfs/dbraw/zinc/07/68/54/386076854.db2.gz YXQXSPDNOIGOMT-QWHCGFSZSA-N 2 1 227.396 1.162 20 0 BDADMP [NH3+][C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000414888035 386097771 /nfs/dbraw/zinc/09/77/71/386097771.db2.gz DUHAIGAYVJLZEH-GFCCVEGCSA-N 2 1 208.280 1.653 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+]CC3([NH3+])CCC3)cc12 ZINC000414888640 386099728 /nfs/dbraw/zinc/09/97/28/386099728.db2.gz RNZFXQRQVUVBOQ-UHFFFAOYSA-N 2 1 245.330 1.237 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000425482433 386152086 /nfs/dbraw/zinc/15/20/86/386152086.db2.gz QSJVNYVQWBFNBO-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414991960 386152298 /nfs/dbraw/zinc/15/22/98/386152298.db2.gz BIGLPLKCRJFXST-UPJWGTAASA-N 2 1 227.396 1.467 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H](C)N1 ZINC000414675708 386155163 /nfs/dbraw/zinc/15/51/63/386155163.db2.gz RGYUSMPTSWLZNS-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@@H](CN2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000414675708 386155167 /nfs/dbraw/zinc/15/51/67/386155167.db2.gz RGYUSMPTSWLZNS-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP C[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000263774931 386174913 /nfs/dbraw/zinc/17/49/13/386174913.db2.gz KMJBKQROENNIAB-UHFFFAOYSA-N 2 1 231.303 1.464 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C[C@H](C)O)C(C)C ZINC000414686832 386177061 /nfs/dbraw/zinc/17/70/61/386177061.db2.gz BJRHURYFYXBISC-NWDGAFQWSA-N 2 1 216.369 1.451 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1F ZINC000414895851 386191143 /nfs/dbraw/zinc/19/11/43/386191143.db2.gz NNJMSTYNLXQOIU-ZDUSSCGKSA-N 2 1 222.307 1.961 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@]1(C)CCCO1 ZINC000340530987 386141778 /nfs/dbraw/zinc/14/17/78/386141778.db2.gz INNJTWRUIOLIJQ-TZMCWYRMSA-N 2 1 238.375 1.796 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414896589 386204105 /nfs/dbraw/zinc/20/41/05/386204105.db2.gz PNUVKGJBBICYCZ-CYBMUJFWSA-N 2 1 204.317 1.822 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000414700795 386207389 /nfs/dbraw/zinc/20/73/89/386207389.db2.gz GJANSCYUBCIPKF-NEPJUHHUSA-N 2 1 230.396 1.699 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000414700795 386207395 /nfs/dbraw/zinc/20/73/95/386207395.db2.gz GJANSCYUBCIPKF-NEPJUHHUSA-N 2 1 230.396 1.699 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000414700800 386208626 /nfs/dbraw/zinc/20/86/26/386208626.db2.gz GJANSCYUBCIPKF-RYUDHWBXSA-N 2 1 230.396 1.699 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000414700800 386208631 /nfs/dbraw/zinc/20/86/31/386208631.db2.gz GJANSCYUBCIPKF-RYUDHWBXSA-N 2 1 230.396 1.699 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2sccc2OC)C1 ZINC000347062663 386209820 /nfs/dbraw/zinc/20/98/20/386209820.db2.gz IJJWGGDHBVAPGB-SNVBAGLBSA-N 2 1 240.372 1.798 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2sccc2OC)C1 ZINC000347062663 386209824 /nfs/dbraw/zinc/20/98/24/386209824.db2.gz IJJWGGDHBVAPGB-SNVBAGLBSA-N 2 1 240.372 1.798 20 0 BDADMP Cc1cc([C@@H]2CCC[N@@H+]2CCC[NH3+])on1 ZINC000414703020 386210428 /nfs/dbraw/zinc/21/04/28/386210428.db2.gz LFSYCUNCFOMVCL-JTQLQIEISA-N 2 1 209.293 1.469 20 0 BDADMP Cc1cc([C@@H]2CCC[N@H+]2CCC[NH3+])on1 ZINC000414703020 386210434 /nfs/dbraw/zinc/21/04/34/386210434.db2.gz LFSYCUNCFOMVCL-JTQLQIEISA-N 2 1 209.293 1.469 20 0 BDADMP [NH3+]CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414704155 386212305 /nfs/dbraw/zinc/21/23/05/386212305.db2.gz JKJIFXOMVPDFIQ-TZMCWYRMSA-N 2 1 237.391 1.284 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1nccn1-c1ccccc1 ZINC000414897603 386213180 /nfs/dbraw/zinc/21/31/80/386213180.db2.gz RXJSBVOQDWIURY-GFCCVEGCSA-N 2 1 244.342 1.699 20 0 BDADMP CC[C@H]1C[N@@H+](CCC[NH3+])[C@@H](CC)CN1C(C)=O ZINC000414707401 386216195 /nfs/dbraw/zinc/21/61/95/386216195.db2.gz NVNFPOUJYWWHCI-STQMWFEESA-N 2 1 241.379 1.057 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000347033115 386224329 /nfs/dbraw/zinc/22/43/29/386224329.db2.gz FHUSNBFBQBVVHG-VXGBXAGGSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000347033115 386224335 /nfs/dbraw/zinc/22/43/35/386224335.db2.gz FHUSNBFBQBVVHG-VXGBXAGGSA-N 2 1 234.347 1.344 20 0 BDADMP C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000366244743 386225246 /nfs/dbraw/zinc/22/52/46/386225246.db2.gz GJOVJWVMRZATFZ-VXGBXAGGSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000366244743 386225251 /nfs/dbraw/zinc/22/52/51/386225251.db2.gz GJOVJWVMRZATFZ-VXGBXAGGSA-N 2 1 226.364 1.316 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452069080 386231209 /nfs/dbraw/zinc/23/12/09/386231209.db2.gz LSFTUESVYDXWPZ-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452069080 386231210 /nfs/dbraw/zinc/23/12/10/386231210.db2.gz LSFTUESVYDXWPZ-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000347115829 386231439 /nfs/dbraw/zinc/23/14/39/386231439.db2.gz VOAQMEYXCDVIPK-NSHDSACASA-N 2 1 244.342 1.604 20 0 BDADMP Cc1nc(C(C)(C)[NH2+]CCC[NH3+])sc1C ZINC000414713836 386236036 /nfs/dbraw/zinc/23/60/36/386236036.db2.gz UOMSICWBLFUYAV-UHFFFAOYSA-N 2 1 227.377 1.933 20 0 BDADMP COc1cc(C)nc(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000414898870 386237557 /nfs/dbraw/zinc/23/75/57/386237557.db2.gz UFGCXBQTXKLYDJ-SECBINFHSA-N 2 1 223.320 1.226 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000347084851 386241446 /nfs/dbraw/zinc/24/14/46/386241446.db2.gz CIOOPEKCAFZMLK-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000347084851 386241452 /nfs/dbraw/zinc/24/14/52/386241452.db2.gz CIOOPEKCAFZMLK-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP COc1ccccc1/C=C/C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347094421 386247546 /nfs/dbraw/zinc/24/75/46/386247546.db2.gz HHYYMVHFVUWPEK-BPJJOFIESA-N 2 1 246.354 1.989 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)CC[C@@H]1[NH3+] ZINC000347098908 386250422 /nfs/dbraw/zinc/25/04/22/386250422.db2.gz IXFMWPYAPUKQST-PWSUYJOCSA-N 2 1 248.326 1.584 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCO3)CC[C@@H]1[NH3+] ZINC000347098908 386250425 /nfs/dbraw/zinc/25/04/25/386250425.db2.gz IXFMWPYAPUKQST-PWSUYJOCSA-N 2 1 248.326 1.584 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2[C@H](C)CNC[C@@H]2C)CC[NH2+]1 ZINC000414719358 386252107 /nfs/dbraw/zinc/25/21/07/386252107.db2.gz XZMUIILOPTULSV-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000414719358 386252115 /nfs/dbraw/zinc/25/21/15/386252115.db2.gz XZMUIILOPTULSV-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647884070 386253117 /nfs/dbraw/zinc/25/31/17/386253117.db2.gz CUZABZIFKNEQHA-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC000347190940 386254563 /nfs/dbraw/zinc/25/45/63/386254563.db2.gz FOZZZFAGUXRYDR-LBPRGKRZSA-N 2 1 249.358 1.488 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695464 386192905 /nfs/dbraw/zinc/19/29/05/386192905.db2.gz UUQPYIUSICERFR-VXGBXAGGSA-N 2 1 242.363 1.260 20 0 BDADMP COC(=O)CC[N@H+](C[C@@H]([NH3+])CC(C)C)C(C)C ZINC000414695755 386196639 /nfs/dbraw/zinc/19/66/39/386196639.db2.gz OTSNMTBELPZQPE-LBPRGKRZSA-N 2 1 244.379 1.633 20 0 BDADMP COC(=O)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C(C)C ZINC000414695755 386196643 /nfs/dbraw/zinc/19/66/43/386196643.db2.gz OTSNMTBELPZQPE-LBPRGKRZSA-N 2 1 244.379 1.633 20 0 BDADMP CN(CC[NH2+]C(C)(C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000414697759 386198281 /nfs/dbraw/zinc/19/82/81/386198281.db2.gz QGVFMAHBGAGZNO-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414698591 386199381 /nfs/dbraw/zinc/19/93/81/386199381.db2.gz DFNABZFIMCPKBT-UPJWGTAASA-N 2 1 242.407 1.713 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414900775 386288049 /nfs/dbraw/zinc/28/80/49/386288049.db2.gz IZKJNTYSRLDFSO-CYBMUJFWSA-N 2 1 236.363 1.208 20 0 BDADMP CCN(CCC[NH+](C)C)c1cc(C)[nH+]c(C)n1 ZINC000276257651 386293084 /nfs/dbraw/zinc/29/30/84/386293084.db2.gz SYJQXADKBXFGPO-UHFFFAOYSA-N 2 1 236.363 1.871 20 0 BDADMP CCN(CCC[NH+](C)C)c1[nH+]cnc2[nH]ccc21 ZINC000276291345 386295838 /nfs/dbraw/zinc/29/58/38/386295838.db2.gz ZXUONMAWGCOPFO-UHFFFAOYSA-N 2 1 247.346 1.736 20 0 BDADMP CC(C)[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336668206 386296393 /nfs/dbraw/zinc/29/63/93/386296393.db2.gz RUVZQHYQSRDKED-STQMWFEESA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336668206 386296400 /nfs/dbraw/zinc/29/64/00/386296400.db2.gz RUVZQHYQSRDKED-STQMWFEESA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336668206 386296404 /nfs/dbraw/zinc/29/64/04/386296404.db2.gz RUVZQHYQSRDKED-STQMWFEESA-N 2 1 228.380 1.277 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)O)C1 ZINC000347297079 386299472 /nfs/dbraw/zinc/29/94/72/386299472.db2.gz GFFBBUPYGARZTA-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1CO ZINC000414733919 386299938 /nfs/dbraw/zinc/29/99/38/386299938.db2.gz FEKCKFKGCZFGKV-UMSGYPCISA-N 2 1 226.364 1.077 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H](O)c2ccccc2)CC1 ZINC000289436222 386303642 /nfs/dbraw/zinc/30/36/42/386303642.db2.gz LJOHHMRDVRBLIH-HNNXBMFYSA-N 2 1 248.370 1.794 20 0 BDADMP Cc1c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cnn1C ZINC000414901930 386304663 /nfs/dbraw/zinc/30/46/63/386304663.db2.gz JXQGZILJGAXDFN-ZDUSSCGKSA-N 2 1 236.363 1.208 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000133345875 386307746 /nfs/dbraw/zinc/30/77/46/386307746.db2.gz CJQGZCOSNSAITF-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000133345875 386307750 /nfs/dbraw/zinc/30/77/50/386307750.db2.gz CJQGZCOSNSAITF-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP NC(=O)c1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414902284 386316137 /nfs/dbraw/zinc/31/61/37/386316137.db2.gz HOVKLCSQIOJRLT-CYBMUJFWSA-N 2 1 247.342 1.017 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000414740825 386321421 /nfs/dbraw/zinc/32/14/21/386321421.db2.gz KFHQCNVYPNCBDK-LBPRGKRZSA-N 2 1 212.337 1.084 20 0 BDADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884614 386263847 /nfs/dbraw/zinc/26/38/47/386263847.db2.gz OVRNUHMXWHTYTD-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884614 386263850 /nfs/dbraw/zinc/26/38/50/386263850.db2.gz OVRNUHMXWHTYTD-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884615 386264510 /nfs/dbraw/zinc/26/45/10/386264510.db2.gz OVRNUHMXWHTYTD-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884615 386264512 /nfs/dbraw/zinc/26/45/12/386264512.db2.gz OVRNUHMXWHTYTD-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@@H+](CCNc1cc(C)nc(C)n1)C1CC1 ZINC000080977209 386268431 /nfs/dbraw/zinc/26/84/31/386268431.db2.gz SRJXANJDEUGLSW-UHFFFAOYSA-N 2 1 234.347 1.990 20 0 BDADMP CC[N@H+](CCNc1cc(C)[nH+]c(C)n1)C1CC1 ZINC000080977209 386268434 /nfs/dbraw/zinc/26/84/34/386268434.db2.gz SRJXANJDEUGLSW-UHFFFAOYSA-N 2 1 234.347 1.990 20 0 BDADMP CC[N@@H+](CCNc1cc(C)[nH+]c(C)n1)C1CC1 ZINC000080977209 386268437 /nfs/dbraw/zinc/26/84/37/386268437.db2.gz SRJXANJDEUGLSW-UHFFFAOYSA-N 2 1 234.347 1.990 20 0 BDADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@H](C)CN1 ZINC000647987569 386274911 /nfs/dbraw/zinc/27/49/11/386274911.db2.gz DMZVFFKTKQWHJH-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@H](C)CN1 ZINC000647987569 386274919 /nfs/dbraw/zinc/27/49/19/386274919.db2.gz DMZVFFKTKQWHJH-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000647987601 386275058 /nfs/dbraw/zinc/27/50/58/386275058.db2.gz HWYSKDODFWVIEH-MCIONIFRSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000647987601 386275063 /nfs/dbraw/zinc/27/50/63/386275063.db2.gz HWYSKDODFWVIEH-MCIONIFRSA-N 3 1 237.391 1.060 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336682207 386340158 /nfs/dbraw/zinc/34/01/58/386340158.db2.gz CZXNOYAFBGSPQK-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(O)CCC3)CC[C@H]21 ZINC000335277173 386341257 /nfs/dbraw/zinc/34/12/57/386341257.db2.gz DCHLUXBCKKIRRF-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(O)CCC3)CC[C@H]21 ZINC000335277173 386341259 /nfs/dbraw/zinc/34/12/59/386341259.db2.gz DCHLUXBCKKIRRF-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000414746594 386347164 /nfs/dbraw/zinc/34/71/64/386347164.db2.gz SLFKVKJNSBQEQR-GRYCIOLGSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000414746594 386347170 /nfs/dbraw/zinc/34/71/70/386347170.db2.gz SLFKVKJNSBQEQR-GRYCIOLGSA-N 2 1 214.353 1.063 20 0 BDADMP [NH3+]CC1CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC000335267499 386348906 /nfs/dbraw/zinc/34/89/06/386348906.db2.gz IMIZGINQKBORCD-WXRRBKDZSA-N 2 1 225.380 1.236 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000647989578 386359925 /nfs/dbraw/zinc/35/99/25/386359925.db2.gz HMBRRMVLZRIEAK-GXTWGEPZSA-N 2 1 238.375 1.344 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC000336696840 386376757 /nfs/dbraw/zinc/37/67/57/386376757.db2.gz HHAZULWDUPGPNW-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336696840 386376766 /nfs/dbraw/zinc/37/67/66/386376766.db2.gz HHAZULWDUPGPNW-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336696840 386376774 /nfs/dbraw/zinc/37/67/74/386376774.db2.gz HHAZULWDUPGPNW-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC000336696838 386378877 /nfs/dbraw/zinc/37/88/77/386378877.db2.gz HHAZULWDUPGPNW-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336696838 386378886 /nfs/dbraw/zinc/37/88/86/386378886.db2.gz HHAZULWDUPGPNW-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336696838 386378894 /nfs/dbraw/zinc/37/88/94/386378894.db2.gz HHAZULWDUPGPNW-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414740425 386332530 /nfs/dbraw/zinc/33/25/30/386332530.db2.gz LHYIQOWMIBCEKY-AGIUHOORSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1cnn(C)c1)CC[NH2+]CC2 ZINC000335275374 386335084 /nfs/dbraw/zinc/33/50/84/386335084.db2.gz AFYGBWISWMSCPT-GFCCVEGCSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@@H+](C)C1CC([NH3+])C1 ZINC000414767841 386442254 /nfs/dbraw/zinc/44/22/54/386442254.db2.gz GWBOKHIJSDQLGM-XGNXJENSSA-N 2 1 240.391 1.861 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000647891609 386393829 /nfs/dbraw/zinc/39/38/29/386393829.db2.gz WYUWNEWKXQYPRZ-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000647891609 386393835 /nfs/dbraw/zinc/39/38/35/386393835.db2.gz WYUWNEWKXQYPRZ-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000414754624 386397923 /nfs/dbraw/zinc/39/79/23/386397923.db2.gz GILNVYLFAJETRO-UPJWGTAASA-N 2 1 227.396 1.384 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336700652 386400280 /nfs/dbraw/zinc/40/02/80/386400280.db2.gz KNJOMLOCDKGBTK-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C(C)C)[C@H](C)C1 ZINC000347436851 386400860 /nfs/dbraw/zinc/40/08/60/386400860.db2.gz XDBAKSAUJIYMER-HZSPNIEDSA-N 2 1 242.407 1.977 20 0 BDADMP Cc1ncccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908896 386404054 /nfs/dbraw/zinc/40/40/54/386404054.db2.gz SALLDWQSNSOHHU-CYBMUJFWSA-N 2 1 219.332 1.622 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647991145 386409360 /nfs/dbraw/zinc/40/93/60/386409360.db2.gz CFVMPPRQQIUDNI-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCC[NH3+] ZINC000414761144 386419396 /nfs/dbraw/zinc/41/93/96/386419396.db2.gz SFPLKXAFAQKLMN-CYBMUJFWSA-N 2 1 242.363 1.533 20 0 BDADMP CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCC[NH3+] ZINC000414761144 386419401 /nfs/dbraw/zinc/41/94/01/386419401.db2.gz SFPLKXAFAQKLMN-CYBMUJFWSA-N 2 1 242.363 1.533 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCOC2)CC[N@@H+]1C ZINC000336712928 386430466 /nfs/dbraw/zinc/43/04/66/386430466.db2.gz RZXTUEWKHMFVSG-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCOC2)CC[N@H+]1C ZINC000336712928 386430470 /nfs/dbraw/zinc/43/04/70/386430470.db2.gz RZXTUEWKHMFVSG-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCOC2)CC[NH+]1C ZINC000336712928 386430475 /nfs/dbraw/zinc/43/04/75/386430475.db2.gz RZXTUEWKHMFVSG-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCOC2)CC[NH+]1C ZINC000336712928 386430479 /nfs/dbraw/zinc/43/04/79/386430479.db2.gz RZXTUEWKHMFVSG-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1C ZINC000414765349 386434028 /nfs/dbraw/zinc/43/40/28/386434028.db2.gz FQLIHSMDIFSSPG-BETUJISGSA-N 2 1 248.374 1.160 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353528144 386469464 /nfs/dbraw/zinc/46/94/64/386469464.db2.gz NKWPJCSRBQYUNP-RQJABVFESA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cccc2c1CCCN2 ZINC000415042144 386529044 /nfs/dbraw/zinc/52/90/44/386529044.db2.gz UPEYIVUBVUPIDA-UHFFFAOYSA-N 2 1 233.359 1.872 20 0 BDADMP CC[C@@H]1C[N@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000647934908 386482966 /nfs/dbraw/zinc/48/29/66/386482966.db2.gz UONSJNHFFPTHTM-ZJUUUORDSA-N 2 1 236.306 1.327 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000647934908 386482968 /nfs/dbraw/zinc/48/29/68/386482968.db2.gz UONSJNHFFPTHTM-ZJUUUORDSA-N 2 1 236.306 1.327 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647935087 386490046 /nfs/dbraw/zinc/49/00/46/386490046.db2.gz ZAOBPOACPXQZKR-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780750 386496825 /nfs/dbraw/zinc/49/68/25/386496825.db2.gz LXEYZDBBQKNPKK-ZOBORPQBSA-N 2 1 222.376 1.964 20 0 BDADMP CC(C)(N)C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415019194 386505163 /nfs/dbraw/zinc/50/51/63/386505163.db2.gz DMEJZFURFPKKKB-XYPYZODXSA-N 2 1 213.369 1.078 20 0 BDADMP Cc1ncncc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000519602144 386506049 /nfs/dbraw/zinc/50/60/49/386506049.db2.gz BQJGEIUEDCXKPV-AAEUAGOBSA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000519602144 386506057 /nfs/dbraw/zinc/50/60/57/386506057.db2.gz BQJGEIUEDCXKPV-AAEUAGOBSA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000519602144 386506064 /nfs/dbraw/zinc/50/60/64/386506064.db2.gz BQJGEIUEDCXKPV-AAEUAGOBSA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000519602144 386506070 /nfs/dbraw/zinc/50/60/70/386506070.db2.gz BQJGEIUEDCXKPV-AAEUAGOBSA-N 2 1 248.374 1.777 20 0 BDADMP [NH3+]CCC[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000415052339 386507808 /nfs/dbraw/zinc/50/78/08/386507808.db2.gz KRIKBWJHURBZLD-OAHLLOKOSA-N 2 1 247.386 1.808 20 0 BDADMP Cc1cn[nH]c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000335447248 386515088 /nfs/dbraw/zinc/51/50/88/386515088.db2.gz BDPYHBGAEQGOFZ-JTQLQIEISA-N 2 1 222.336 1.277 20 0 BDADMP Cc1ccc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415032632 386518586 /nfs/dbraw/zinc/51/85/86/386518586.db2.gz GEXWSMIMUBBLKL-HNNXBMFYSA-N 2 1 248.370 1.772 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415030412 386518815 /nfs/dbraw/zinc/51/88/15/386518815.db2.gz CJGBBXGQYWLXQV-AWEZNQCLSA-N 2 1 234.343 1.463 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(O)c1)C1CCCC1 ZINC000415041944 386526392 /nfs/dbraw/zinc/52/63/92/386526392.db2.gz LWUUHTASASVJAN-CQSZACIVSA-N 2 1 234.343 1.999 20 0 BDADMP CCN1CCCC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415076362 386581283 /nfs/dbraw/zinc/58/12/83/386581283.db2.gz GIAAQCYMMHTRQX-KBPBESRZSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000414921197 386581607 /nfs/dbraw/zinc/58/16/07/386581607.db2.gz DGGLXDULBXYVFW-VWYCJHECSA-N 2 1 214.378 1.327 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415080542 386591327 /nfs/dbraw/zinc/59/13/27/386591327.db2.gz YTESVKJAAUFNKP-NEPJUHHUSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@]1(C[NH2+]Cc2cnc(N)s2)CCC[NH2+]C1 ZINC000414917336 386531808 /nfs/dbraw/zinc/53/18/08/386531808.db2.gz RHSDLZPZBNFTOY-NSHDSACASA-N 2 1 240.376 1.035 20 0 BDADMP CC(C)(C)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789203 386536115 /nfs/dbraw/zinc/53/61/15/386536115.db2.gz XYTBQJFGHSSJJU-GFCCVEGCSA-N 2 1 240.391 1.720 20 0 BDADMP CC(C)Cn1cc(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC000414790055 386542097 /nfs/dbraw/zinc/54/20/97/386542097.db2.gz OMYRYAJXJMGBKK-UHFFFAOYSA-N 2 1 236.363 1.381 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415064748 386543196 /nfs/dbraw/zinc/54/31/96/386543196.db2.gz LLDHVKGVSMPSPD-AWEZNQCLSA-N 2 1 233.359 1.997 20 0 BDADMP COC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200278 386545235 /nfs/dbraw/zinc/54/52/35/386545235.db2.gz WLWCOXDTFFYZPI-ZYHUDNBSSA-N 2 1 240.347 1.012 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCOCC1)C1CCCC1 ZINC000415064686 386545933 /nfs/dbraw/zinc/54/59/33/386545933.db2.gz LCLNLVDZDSFCGZ-OLZOCXBDSA-N 2 1 226.364 1.663 20 0 BDADMP C[N@@H+](CCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000063223645 386546250 /nfs/dbraw/zinc/54/62/50/386546250.db2.gz YPGJVLBSZUPRGQ-YIONKMFJSA-N 2 1 245.370 1.839 20 0 BDADMP CC[NH+](CC)CCCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336755832 386546817 /nfs/dbraw/zinc/54/68/17/386546817.db2.gz GNLGIAKQYNXRBD-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000647995230 386547530 /nfs/dbraw/zinc/54/75/30/386547530.db2.gz HPODHWIDNHKFQE-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP Cc1cc(C[N@H+](C)C[C@H](O)C[NH3+])c(C)s1 ZINC000415065438 386547706 /nfs/dbraw/zinc/54/77/06/386547706.db2.gz GHZSGKFLECKMLR-LLVKDONJSA-N 2 1 228.361 1.116 20 0 BDADMP Cc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])c(C)s1 ZINC000415065438 386547707 /nfs/dbraw/zinc/54/77/07/386547707.db2.gz GHZSGKFLECKMLR-LLVKDONJSA-N 2 1 228.361 1.116 20 0 BDADMP COCCC[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000062036290 386563159 /nfs/dbraw/zinc/56/31/59/386563159.db2.gz SWOSDBHXGHLPQI-LLVKDONJSA-N 2 1 202.342 1.328 20 0 BDADMP COCCC[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000062036290 386563167 /nfs/dbraw/zinc/56/31/67/386563167.db2.gz SWOSDBHXGHLPQI-LLVKDONJSA-N 2 1 202.342 1.328 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000415074623 386566326 /nfs/dbraw/zinc/56/63/26/386566326.db2.gz DAOICYHHHPPGAF-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP [NH3+]C[C@H]([NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000414796868 386570957 /nfs/dbraw/zinc/57/09/57/386570957.db2.gz ICOJDROGJNZYSX-AWEZNQCLSA-N 2 1 216.328 1.481 20 0 BDADMP C[C@H](CO)[N@@H+](CC1CCC1)C[C@@H]1CCC[NH2+]C1 ZINC000415103779 386624134 /nfs/dbraw/zinc/62/41/34/386624134.db2.gz JYDJQHKJPHNOKJ-TZMCWYRMSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC000292187613 386631032 /nfs/dbraw/zinc/63/10/32/386631032.db2.gz RBDVIZRCLYHRKX-CQSZACIVSA-N 2 1 231.343 1.609 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCOCC1 ZINC000414812379 386640640 /nfs/dbraw/zinc/64/06/40/386640640.db2.gz KVYSCXZGVGITAB-NWDGAFQWSA-N 2 1 214.353 1.663 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000340670952 386653011 /nfs/dbraw/zinc/65/30/11/386653011.db2.gz HHHQQHYETUHBFH-BZPMIXESSA-N 2 1 240.391 1.718 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC[C@@H]([NH3+])CC(C)C ZINC000415082010 386600007 /nfs/dbraw/zinc/60/00/07/386600007.db2.gz NQMBSOUVPKFAGY-KBPBESRZSA-N 2 1 241.423 1.824 20 0 BDADMP CCOc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414807842 386611569 /nfs/dbraw/zinc/61/15/69/386611569.db2.gz RPCNWIIDEDMDNZ-CQSZACIVSA-N 2 1 234.343 1.912 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]CC[C@@H]1CCOC1 ZINC000414806302 386614679 /nfs/dbraw/zinc/61/46/79/386614679.db2.gz BGXVLSDYTKWQBD-NEPJUHHUSA-N 2 1 214.353 1.520 20 0 BDADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000428119848 386661387 /nfs/dbraw/zinc/66/13/87/386661387.db2.gz JJYALWSVTMZAJC-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]([NH3+])c1ccc(CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000414818647 386668441 /nfs/dbraw/zinc/66/84/41/386668441.db2.gz WIMSXGGYWHYUPE-DOMZBBRYSA-N 2 1 247.386 1.938 20 0 BDADMP Cc1cccc(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000302355499 386710285 /nfs/dbraw/zinc/71/02/85/386710285.db2.gz KLGAZJDCBFXJHO-UHFFFAOYSA-N 2 1 236.359 1.711 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000414830395 386704906 /nfs/dbraw/zinc/70/49/06/386704906.db2.gz CCMJFZJXRBCKEH-VIFPVBQESA-N 2 1 228.286 1.910 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]CC[C@@H]1CCOC1 ZINC000414837288 386736102 /nfs/dbraw/zinc/73/61/02/386736102.db2.gz JKTFWSJNDQYIHH-NEPJUHHUSA-N 2 1 214.353 1.376 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000414831778 386714746 /nfs/dbraw/zinc/71/47/46/386714746.db2.gz DQZGKNQHYKXANO-GFCCVEGCSA-N 2 1 238.379 1.484 20 0 BDADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357089299 386715859 /nfs/dbraw/zinc/71/58/59/386715859.db2.gz PKPPPFDZIXZXAC-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325036955 386716002 /nfs/dbraw/zinc/71/60/02/386716002.db2.gz ODMPYDHXVKSNRX-CHWSQXEVSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1 ZINC000122361143 386746197 /nfs/dbraw/zinc/74/61/97/386746197.db2.gz FCSGAFAURXGZER-ZYHUDNBSSA-N 2 1 222.307 1.995 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000269275770 386769978 /nfs/dbraw/zinc/76/99/78/386769978.db2.gz WRNZPQKMHQDLES-SNVBAGLBSA-N 2 1 248.330 1.086 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000269275787 386770041 /nfs/dbraw/zinc/77/00/41/386770041.db2.gz WUBMSBVSYIATMB-NSHDSACASA-N 2 1 248.330 1.228 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@H](O)CN(C)C1CC1 ZINC000336666696 386773986 /nfs/dbraw/zinc/77/39/86/386773986.db2.gz QAVVYOREGWOMTH-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336666696 386773992 /nfs/dbraw/zinc/77/39/92/386773992.db2.gz QAVVYOREGWOMTH-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336666696 386773997 /nfs/dbraw/zinc/77/39/97/386773997.db2.gz QAVVYOREGWOMTH-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336666696 386773999 /nfs/dbraw/zinc/77/39/99/386773999.db2.gz QAVVYOREGWOMTH-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336666696 386774003 /nfs/dbraw/zinc/77/40/03/386774003.db2.gz QAVVYOREGWOMTH-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000396560539 386774760 /nfs/dbraw/zinc/77/47/60/386774760.db2.gz JUNMTEKUMKZARE-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000396601316 386788470 /nfs/dbraw/zinc/78/84/70/386788470.db2.gz XKGPKQXVEHNOSD-CRWXNKLISA-N 2 1 237.391 1.343 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000334784295 386841616 /nfs/dbraw/zinc/84/16/16/386841616.db2.gz BLBJMHGISWVOHF-NWDGAFQWSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000334784295 386841618 /nfs/dbraw/zinc/84/16/18/386841618.db2.gz BLBJMHGISWVOHF-NWDGAFQWSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000334784297 386842035 /nfs/dbraw/zinc/84/20/35/386842035.db2.gz BLBJMHGISWVOHF-VXGBXAGGSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000334784297 386842040 /nfs/dbraw/zinc/84/20/40/386842040.db2.gz BLBJMHGISWVOHF-VXGBXAGGSA-N 2 1 226.364 1.472 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCCOC3)C2)C1 ZINC000645187918 386850969 /nfs/dbraw/zinc/85/09/69/386850969.db2.gz LDQXSMMQPIDCDJ-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCCOC3)C2)C1 ZINC000645187918 386850971 /nfs/dbraw/zinc/85/09/71/386850971.db2.gz LDQXSMMQPIDCDJ-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCCOC3)C2)C1 ZINC000645187918 386850977 /nfs/dbraw/zinc/85/09/77/386850977.db2.gz LDQXSMMQPIDCDJ-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH3+])C[C@@H]1C ZINC000414938970 386867217 /nfs/dbraw/zinc/86/72/17/386867217.db2.gz FTICLBCDIAWVBB-FIQHERPVSA-N 2 1 242.363 1.291 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000334845625 386894482 /nfs/dbraw/zinc/89/44/82/386894482.db2.gz YUPLHSSYWYQDHA-LBPRGKRZSA-N 2 1 237.322 1.698 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000334833033 386870310 /nfs/dbraw/zinc/87/03/10/386870310.db2.gz LSTCMIKBNYGIDE-WDNDVIMCSA-N 2 1 216.328 1.611 20 0 BDADMP N[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000331604046 386874516 /nfs/dbraw/zinc/87/45/16/386874516.db2.gz OJRNEHATODVNRW-FDRIWYBQSA-N 2 1 245.370 1.848 20 0 BDADMP Cc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)nc1 ZINC000334841327 386885996 /nfs/dbraw/zinc/88/59/96/386885996.db2.gz GUOCXGQSLPYLPM-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@H]1C ZINC000358225217 386915557 /nfs/dbraw/zinc/91/55/57/386915557.db2.gz CEAHRXIRRNKBPX-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@H]1C ZINC000358225217 386915566 /nfs/dbraw/zinc/91/55/66/386915566.db2.gz CEAHRXIRRNKBPX-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358224645 386915802 /nfs/dbraw/zinc/91/58/02/386915802.db2.gz CBBAGDFBBJXDTR-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358224645 386915807 /nfs/dbraw/zinc/91/58/07/386915807.db2.gz CBBAGDFBBJXDTR-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccccc1 ZINC000125897382 386917774 /nfs/dbraw/zinc/91/77/74/386917774.db2.gz PLFMFIAUGPNUIP-ZDUSSCGKSA-N 2 1 222.332 1.089 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443082 386901317 /nfs/dbraw/zinc/90/13/17/386901317.db2.gz CQQAJEOZQBEDKU-MDZLAQPJSA-N 2 1 249.358 1.921 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443082 386901320 /nfs/dbraw/zinc/90/13/20/386901320.db2.gz CQQAJEOZQBEDKU-MDZLAQPJSA-N 2 1 249.358 1.921 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334856476 386909278 /nfs/dbraw/zinc/90/92/78/386909278.db2.gz YPNFWGYVXKXAIH-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000334856476 386909282 /nfs/dbraw/zinc/90/92/82/386909282.db2.gz YPNFWGYVXKXAIH-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCOCC1 ZINC000334866068 386923664 /nfs/dbraw/zinc/92/36/64/386923664.db2.gz WAHIZNNOKXGSSS-PWSUYJOCSA-N 2 1 212.337 1.001 20 0 BDADMP C(C1CC1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334867936 386926866 /nfs/dbraw/zinc/92/68/66/386926866.db2.gz GCUOVKSPYUMVSQ-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000161711015 386928180 /nfs/dbraw/zinc/92/81/80/386928180.db2.gz WIRHZSCSJUMNCP-MNOVXSKESA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(O)cc(F)c2)CC[NH2+]1 ZINC000334871089 386930688 /nfs/dbraw/zinc/93/06/88/386930688.db2.gz XVBPQLZREIEDHQ-BXKDBHETSA-N 2 1 238.306 1.761 20 0 BDADMP CC(C)c1nccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000302855445 386940458 /nfs/dbraw/zinc/94/04/58/386940458.db2.gz LCSKNOJKYIVNNA-TXEJJXNPSA-N 2 1 246.358 1.598 20 0 BDADMP C[C@H]([NH2+]CCc1cnn(C)c1)[C@@H]1CCCC[NH2+]1 ZINC000395163388 386952728 /nfs/dbraw/zinc/95/27/28/386952728.db2.gz KBDNXDXQYSELDG-AAEUAGOBSA-N 2 1 236.363 1.083 20 0 BDADMP CCSCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368319684 386958687 /nfs/dbraw/zinc/95/86/87/386958687.db2.gz YHRNPWBXDRYFPW-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CCSCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368319684 386958688 /nfs/dbraw/zinc/95/86/88/386958688.db2.gz YHRNPWBXDRYFPW-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CCSCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368319684 386958695 /nfs/dbraw/zinc/95/86/95/386958695.db2.gz YHRNPWBXDRYFPW-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CCOCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368313518 386958727 /nfs/dbraw/zinc/95/87/27/386958727.db2.gz DCMUZXCAYNVYIF-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP CCOCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368313518 386958730 /nfs/dbraw/zinc/95/87/30/386958730.db2.gz DCMUZXCAYNVYIF-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP CCOCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368313518 386958732 /nfs/dbraw/zinc/95/87/32/386958732.db2.gz DCMUZXCAYNVYIF-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP Cc1ccsc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000399477942 386964973 /nfs/dbraw/zinc/96/49/73/386964973.db2.gz OTLXHQNRRUAPCB-JTQLQIEISA-N 2 1 210.346 1.883 20 0 BDADMP C[C@H](N[C@H]1C[N@@H+](C)C[C@@H]1C)c1cncc(F)c1 ZINC000358411396 386951260 /nfs/dbraw/zinc/95/12/60/386951260.db2.gz XGHMOOHSNPGYNZ-KWBADKCTSA-N 2 1 237.322 1.821 20 0 BDADMP c1ccc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107572917 387033405 /nfs/dbraw/zinc/03/34/05/387033405.db2.gz ICDOWQIHFLZQNB-BETUJISGSA-N 2 1 232.327 1.217 20 0 BDADMP c1ccc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107572917 387033406 /nfs/dbraw/zinc/03/34/06/387033406.db2.gz ICDOWQIHFLZQNB-BETUJISGSA-N 2 1 232.327 1.217 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000334980286 387067511 /nfs/dbraw/zinc/06/75/11/387067511.db2.gz MBPJUUKJQFVGAP-NEPJUHHUSA-N 2 1 235.331 1.496 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc[nH]n1 ZINC000359187065 387065809 /nfs/dbraw/zinc/06/58/09/387065809.db2.gz ICKBSHPYCJEIBU-UHFFFAOYSA-N 2 1 222.336 1.231 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000333119183 387019083 /nfs/dbraw/zinc/01/90/83/387019083.db2.gz HVNZLUYJRXNVRK-XQQFMLRXSA-N 2 1 225.380 1.236 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCOCC23CC3)CC[NH2+]1 ZINC000334882507 387025159 /nfs/dbraw/zinc/02/51/59/387025159.db2.gz NCAWYJSZACMHER-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CC/C=C\CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766357 387070304 /nfs/dbraw/zinc/07/03/04/387070304.db2.gz NPBKERUJJDFPDD-GEXIGZQTSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400558845 387070965 /nfs/dbraw/zinc/07/09/65/387070965.db2.gz ZWQHPWPHWUEQSR-NWANDNLSSA-N 2 1 248.370 1.320 20 0 BDADMP CC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766716 387071953 /nfs/dbraw/zinc/07/19/53/387071953.db2.gz OLKZROSAKHJZHS-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766716 387071961 /nfs/dbraw/zinc/07/19/61/387071961.db2.gz OLKZROSAKHJZHS-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000126912605 387074268 /nfs/dbraw/zinc/07/42/68/387074268.db2.gz GVHVETQWFJFVQT-BXUZGUMPSA-N 2 1 246.354 1.791 20 0 BDADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000334994873 387086418 /nfs/dbraw/zinc/08/64/18/387086418.db2.gz VSXCLHJKXVVSFR-ZIAGYGMSSA-N 2 1 238.375 1.631 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000334994642 387086674 /nfs/dbraw/zinc/08/66/74/387086674.db2.gz FVSFWSAMQVSCMG-HNNXBMFYSA-N 2 1 245.370 1.884 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000334994642 387086675 /nfs/dbraw/zinc/08/66/75/387086675.db2.gz FVSFWSAMQVSCMG-HNNXBMFYSA-N 2 1 245.370 1.884 20 0 BDADMP Nc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000334997117 387088085 /nfs/dbraw/zinc/08/80/85/387088085.db2.gz SYAZQESQJMQJCG-OKILXGFUSA-N 2 1 245.370 1.700 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000188829259 387095235 /nfs/dbraw/zinc/09/52/35/387095235.db2.gz FMKXEJQQRWZMNJ-REWJHTLYSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000335008282 387102681 /nfs/dbraw/zinc/10/26/81/387102681.db2.gz RRQHDZMNHPDINH-UZEXVOJHSA-N 2 1 214.328 1.997 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000335010698 387103965 /nfs/dbraw/zinc/10/39/65/387103965.db2.gz KWPDHBXBGJTTIJ-RYUDHWBXSA-N 2 1 205.305 1.359 20 0 BDADMP C1C[C@@]2(CS1)CCC[N@H+](C1CC[NH2+]CC1)C2 ZINC000335010176 387104698 /nfs/dbraw/zinc/10/46/98/387104698.db2.gz PBDVOUGJKKVQIB-ZDUSSCGKSA-N 2 1 240.416 1.958 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000335027273 387121173 /nfs/dbraw/zinc/12/11/73/387121173.db2.gz QZAWGDDMQWTMPU-NEPJUHHUSA-N 2 1 222.336 1.170 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCC[NH2+]CC1 ZINC000250454863 387124319 /nfs/dbraw/zinc/12/43/19/387124319.db2.gz WFWLODQYNNXXKN-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CCC[NH2+]CCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423309929 387146701 /nfs/dbraw/zinc/14/67/01/387146701.db2.gz MPHOIDWJNFUNLY-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423310893 387148962 /nfs/dbraw/zinc/14/89/62/387148962.db2.gz SOJUAPBSTWAODV-FDYHWXHSSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423310893 387148967 /nfs/dbraw/zinc/14/89/67/387148967.db2.gz SOJUAPBSTWAODV-FDYHWXHSSA-N 3 1 225.380 1.044 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423310893 387148973 /nfs/dbraw/zinc/14/89/73/387148973.db2.gz SOJUAPBSTWAODV-FDYHWXHSSA-N 3 1 225.380 1.044 20 0 BDADMP CCOC[C@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] ZINC000423342920 387192644 /nfs/dbraw/zinc/19/26/44/387192644.db2.gz ZLYMLSZBCMQBAE-GMTAPVOTSA-N 2 1 200.326 1.128 20 0 BDADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423311748 387149286 /nfs/dbraw/zinc/14/92/86/387149286.db2.gz QIDIIXXBZGRLRC-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccncc1 ZINC000423320274 387162726 /nfs/dbraw/zinc/16/27/26/387162726.db2.gz MHWAQQBJQIDJAV-CABZTGNLSA-N 2 1 205.305 1.470 20 0 BDADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cnn(C)c1 ZINC000423323218 387164975 /nfs/dbraw/zinc/16/49/75/387164975.db2.gz OPNGKNCDINJNJX-RYUDHWBXSA-N 2 1 222.336 1.198 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423332663 387177244 /nfs/dbraw/zinc/17/72/44/387177244.db2.gz QXQFIUMBDQJVHY-MROQNXINSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(CO)c1 ZINC000423335389 387182805 /nfs/dbraw/zinc/18/28/05/387182805.db2.gz XGMNRZQAXXRCKR-IINYFYTJSA-N 2 1 234.343 1.567 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423338423 387187500 /nfs/dbraw/zinc/18/75/00/387187500.db2.gz ZDVCWJHMBZTRNZ-NEPJUHHUSA-N 2 1 234.347 1.124 20 0 BDADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1N(C)C ZINC000423302510 387134716 /nfs/dbraw/zinc/13/47/16/387134716.db2.gz JTNFPRCCDVBBMV-LLVKDONJSA-N 2 1 233.359 1.623 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](COC)C1CC1 ZINC000423304792 387139553 /nfs/dbraw/zinc/13/95/53/387139553.db2.gz ZLXFBICMUSDDFC-NEPJUHHUSA-N 2 1 214.353 1.519 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423305033 387140563 /nfs/dbraw/zinc/14/05/63/387140563.db2.gz ZZNQAERXMFOKPV-JHJVBQTASA-N 2 1 227.396 1.576 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423355433 387205223 /nfs/dbraw/zinc/20/52/23/387205223.db2.gz FLGVDRNFKQILJC-MGPQQGTHSA-N 2 1 237.391 1.345 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423355433 387205227 /nfs/dbraw/zinc/20/52/27/387205227.db2.gz FLGVDRNFKQILJC-MGPQQGTHSA-N 3 1 237.391 1.345 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423355433 387205232 /nfs/dbraw/zinc/20/52/32/387205232.db2.gz FLGVDRNFKQILJC-MGPQQGTHSA-N 3 1 237.391 1.345 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423355243 387206145 /nfs/dbraw/zinc/20/61/45/387206145.db2.gz OSCOZKKZHSHQAL-SOUVJXGZSA-N 3 1 249.402 1.369 20 0 BDADMP CN1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423355243 387206146 /nfs/dbraw/zinc/20/61/46/387206146.db2.gz OSCOZKKZHSHQAL-SOUVJXGZSA-N 2 1 249.402 1.369 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423362608 387215918 /nfs/dbraw/zinc/21/59/18/387215918.db2.gz NCZXOKYFTANSTE-ZYHUDNBSSA-N 2 1 236.363 1.521 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@H]1CCCOC1 ZINC000423365178 387219528 /nfs/dbraw/zinc/21/95/28/387219528.db2.gz PIDKNLGRHFSXKI-NDBYEHHHSA-N 2 1 226.364 1.389 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353517546 387221238 /nfs/dbraw/zinc/22/12/38/387221238.db2.gz JAKCPNNBROVPFG-FQUUOJAGSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000423370740 387223432 /nfs/dbraw/zinc/22/34/32/387223432.db2.gz PYGPBAGBAXFDCX-QWRGUYRKSA-N 2 1 245.330 1.265 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000643497203 387228433 /nfs/dbraw/zinc/22/84/33/387228433.db2.gz RGMMZRXFYMNPBM-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400863 387233578 /nfs/dbraw/zinc/23/35/78/387233578.db2.gz QKXDZTYNQIFCDV-RFHZTLPTSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423400863 387233582 /nfs/dbraw/zinc/23/35/82/387233582.db2.gz QKXDZTYNQIFCDV-RFHZTLPTSA-N 2 1 237.391 1.057 20 0 BDADMP CCN[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423399003 387234039 /nfs/dbraw/zinc/23/40/39/387234039.db2.gz VTEASOFCLVYOEX-WDEREUQCSA-N 2 1 201.358 1.092 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000336409218 387238493 /nfs/dbraw/zinc/23/84/93/387238493.db2.gz JBAQKASGQFDHIG-AAEUAGOBSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000336409218 387238497 /nfs/dbraw/zinc/23/84/97/387238497.db2.gz JBAQKASGQFDHIG-AAEUAGOBSA-N 2 1 224.348 1.097 20 0 BDADMP CSCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000120414428 387244717 /nfs/dbraw/zinc/24/47/17/387244717.db2.gz WLLVJBUFSGRONN-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP CSCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000120414428 387244720 /nfs/dbraw/zinc/24/47/20/387244720.db2.gz WLLVJBUFSGRONN-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP CSCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000120414428 387244723 /nfs/dbraw/zinc/24/47/23/387244723.db2.gz WLLVJBUFSGRONN-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000352478590 387246031 /nfs/dbraw/zinc/24/60/31/387246031.db2.gz YMHDCLWHHKEYFO-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(CO)c1 ZINC000423419571 387249423 /nfs/dbraw/zinc/24/94/23/387249423.db2.gz BBMRXDNQNVDUPN-OLRMPSLUSA-N 2 1 232.327 1.047 20 0 BDADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430291 387255492 /nfs/dbraw/zinc/25/54/92/387255492.db2.gz KWLZZSLQNJYEQL-LJISPDSOSA-N 2 1 228.339 1.871 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000423380297 387262253 /nfs/dbraw/zinc/26/22/53/387262253.db2.gz NSFVDOAVBVENSK-RYMFRWLXSA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000423380297 387262258 /nfs/dbraw/zinc/26/22/58/387262258.db2.gz NSFVDOAVBVENSK-RYMFRWLXSA-N 3 1 239.407 1.445 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000423380297 387262262 /nfs/dbraw/zinc/26/22/62/387262262.db2.gz NSFVDOAVBVENSK-RYMFRWLXSA-N 3 1 239.407 1.445 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000285385306 387262281 /nfs/dbraw/zinc/26/22/81/387262281.db2.gz HAMXXTPFXUNGEF-NSHDSACASA-N 2 1 224.352 1.158 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423383496 387267300 /nfs/dbraw/zinc/26/73/00/387267300.db2.gz PGPWBMCQLUOPAM-DMDPSCGWSA-N 2 1 225.380 1.057 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000423391525 387276145 /nfs/dbraw/zinc/27/61/45/387276145.db2.gz WYKHBYHKWOGCIJ-IJLUTSLNSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423391476 387277038 /nfs/dbraw/zinc/27/70/38/387277038.db2.gz PMISUJXWHTXCJD-VXGBXAGGSA-N 3 1 227.396 1.482 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000423392752 387278178 /nfs/dbraw/zinc/27/81/78/387278178.db2.gz LZUOEESMCKDPCL-GVXVVHGQSA-N 2 1 236.363 1.552 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000643499026 387283289 /nfs/dbraw/zinc/28/32/89/387283289.db2.gz NHAJIKCRIQPNRI-VIFPVBQESA-N 2 1 210.325 1.368 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccncc1 ZINC000423432259 387283387 /nfs/dbraw/zinc/28/33/87/387283387.db2.gz OIVQJWMBPXUZHO-XQHKEYJVSA-N 2 1 217.316 1.340 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000360437260 387284743 /nfs/dbraw/zinc/28/47/43/387284743.db2.gz LWOOIJNTKMZHGJ-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cnn(C)c1 ZINC000423437652 387287639 /nfs/dbraw/zinc/28/76/39/387287639.db2.gz GKFTXJFSYCCFMH-QXEWZRGKSA-N 2 1 210.325 1.197 20 0 BDADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC)cc1 ZINC000423439468 387290775 /nfs/dbraw/zinc/29/07/75/387290775.db2.gz SHFQRZJZOCIVRP-LJISPDSOSA-N 2 1 246.354 1.954 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)O1 ZINC000648560417 387298597 /nfs/dbraw/zinc/29/85/97/387298597.db2.gz HBHYXGVUGXSBDY-XQHKEYJVSA-N 2 1 249.358 1.601 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])[C@H]1CCCCN1 ZINC000423450047 387299700 /nfs/dbraw/zinc/29/97/00/387299700.db2.gz HCIYYMJDEQVWHE-QJPTWQEYSA-N 2 1 213.369 1.234 20 0 BDADMP CC[C@@H](C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000121110639 387301687 /nfs/dbraw/zinc/30/16/87/387301687.db2.gz GVAHUHGYBRNFFE-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](C[NH3+])C3)n2c1 ZINC000336473547 387302159 /nfs/dbraw/zinc/30/21/59/387302159.db2.gz FUDALGHAQCPTGC-GFCCVEGCSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](C[NH3+])C3)n2c1 ZINC000336473547 387302163 /nfs/dbraw/zinc/30/21/63/387302163.db2.gz FUDALGHAQCPTGC-GFCCVEGCSA-N 2 1 244.342 1.423 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423459408 387306270 /nfs/dbraw/zinc/30/62/70/387306270.db2.gz HYPXTPGJXTYYRI-ZWNOBZJWSA-N 2 1 222.332 1.567 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccncc1 ZINC000423461025 387308447 /nfs/dbraw/zinc/30/84/47/387308447.db2.gz JFWPRIOTGZOPLA-VXGBXAGGSA-N 2 1 207.321 1.860 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643501846 387354540 /nfs/dbraw/zinc/35/45/40/387354540.db2.gz QZRPMHCQYGYWBU-YRGRVCCFSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423527395 387355787 /nfs/dbraw/zinc/35/57/87/387355787.db2.gz MGOLYCMTPQGMOS-RISCZKNCSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000643464503 387365079 /nfs/dbraw/zinc/36/50/79/387365079.db2.gz GHRRJBPKPKIBMG-FZMZJTMJSA-N 2 1 233.359 1.520 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502643 387365629 /nfs/dbraw/zinc/36/56/29/387365629.db2.gz MFOXJNBYEUJQBO-IHRRRGAJSA-N 2 1 240.391 1.923 20 0 BDADMP CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423544185 387368284 /nfs/dbraw/zinc/36/82/84/387368284.db2.gz IDKJNXQLLCLMLM-FQUUOJAGSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423553663 387373118 /nfs/dbraw/zinc/37/31/18/387373118.db2.gz KQNYHZJUQCXYLN-JHJVBQTASA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462911 387322392 /nfs/dbraw/zinc/32/23/92/387322392.db2.gz YFGKGOTXMRPPDA-XBFCOCLRSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000423476604 387324670 /nfs/dbraw/zinc/32/46/70/387324670.db2.gz JBSGCONMFAHRQJ-MGPQQGTHSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)CCN1C ZINC000423476604 387324676 /nfs/dbraw/zinc/32/46/76/387324676.db2.gz JBSGCONMFAHRQJ-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H](NCCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423487931 387333619 /nfs/dbraw/zinc/33/36/19/387333619.db2.gz UVVBHIVKOAHVTH-FRRDWIJNSA-N 2 1 225.380 1.249 20 0 BDADMP C[C@H](NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423487935 387334128 /nfs/dbraw/zinc/33/41/28/387334128.db2.gz UVVBHIVKOAHVTH-XQQFMLRXSA-N 2 1 225.380 1.249 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCO)CC1 ZINC000372951899 387335752 /nfs/dbraw/zinc/33/57/52/387335752.db2.gz GFMBHRIZQPNUJS-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H]1CCOC1 ZINC000423505083 387343481 /nfs/dbraw/zinc/34/34/81/387343481.db2.gz HEPQYKVVIYAXRL-HZSPNIEDSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423510551 387346741 /nfs/dbraw/zinc/34/67/41/387346741.db2.gz SLXJLUMSGWAVBZ-RTXFEEFZSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423510549 387348373 /nfs/dbraw/zinc/34/83/73/387348373.db2.gz SLXJLUMSGWAVBZ-RAIGVLPGSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423511465 387348735 /nfs/dbraw/zinc/34/87/35/387348735.db2.gz TUMVBHPSWFCNCG-MVWJERBFSA-N 2 1 212.337 1.271 20 0 BDADMP CC(C)([NH3+])CN1CCC[N@H+](C(C)(C)C)CC1 ZINC000336523883 387348940 /nfs/dbraw/zinc/34/89/40/387348940.db2.gz VZFJTOFRHSATGU-UHFFFAOYSA-N 2 1 227.396 1.530 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643501843 387353914 /nfs/dbraw/zinc/35/39/14/387353914.db2.gz QZRPMHCQYGYWBU-BZPMIXESSA-N 2 1 237.391 1.201 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000516044824 387450108 /nfs/dbraw/zinc/45/01/08/387450108.db2.gz UDRUJTVYPKLNKB-OCCSQVGLSA-N 3 1 239.407 1.306 20 0 BDADMP CCN1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000516044824 387450114 /nfs/dbraw/zinc/45/01/14/387450114.db2.gz UDRUJTVYPKLNKB-OCCSQVGLSA-N 2 1 239.407 1.306 20 0 BDADMP COCCC[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506743 387459897 /nfs/dbraw/zinc/45/98/97/387459897.db2.gz HEZJNNWOSYLZHH-SNVBAGLBSA-N 2 1 200.326 1.143 20 0 BDADMP Cn1ncc2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc21 ZINC000515634234 387404670 /nfs/dbraw/zinc/40/46/70/387404670.db2.gz TVBQFEMSHJDSBF-OLZOCXBDSA-N 2 1 244.342 1.543 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396875270 387507415 /nfs/dbraw/zinc/50/74/15/387507415.db2.gz IDYSRUKDVUCKCJ-LBPRGKRZSA-N 2 1 228.380 1.874 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H](OC)c1ccccc1 ZINC000379200748 387523955 /nfs/dbraw/zinc/52/39/55/387523955.db2.gz KRMIGMIZDJSPRV-AWEZNQCLSA-N 2 1 236.359 1.915 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](OC)c1ccccc1 ZINC000379200748 387523960 /nfs/dbraw/zinc/52/39/60/387523960.db2.gz KRMIGMIZDJSPRV-AWEZNQCLSA-N 2 1 236.359 1.915 20 0 BDADMP CC(C)C[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000396979270 387525805 /nfs/dbraw/zinc/52/58/05/387525805.db2.gz SBWDSHKBEJWIAI-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)cn1 ZINC000375334832 387530690 /nfs/dbraw/zinc/53/06/90/387530690.db2.gz DCAPRXXMNHXKOV-QWHCGFSZSA-N 2 1 235.331 1.527 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304329422 387467161 /nfs/dbraw/zinc/46/71/61/387467161.db2.gz UUMYMFUJBTZORV-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375851000 387587868 /nfs/dbraw/zinc/58/78/68/387587868.db2.gz KJUVZUYVYPQCMD-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375851000 387587873 /nfs/dbraw/zinc/58/78/73/387587873.db2.gz KJUVZUYVYPQCMD-BFHYXJOUSA-N 3 1 239.407 1.401 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375851000 387587877 /nfs/dbraw/zinc/58/78/77/387587877.db2.gz KJUVZUYVYPQCMD-BFHYXJOUSA-N 3 1 239.407 1.401 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643511199 387592303 /nfs/dbraw/zinc/59/23/03/387592303.db2.gz OYLYEDZOWGQICJ-OCCSQVGLSA-N 3 1 241.423 1.680 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccn1 ZINC000527535191 387628734 /nfs/dbraw/zinc/62/87/34/387628734.db2.gz QIFAVMWYKQCIKV-AWEZNQCLSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccn1 ZINC000527535191 387628738 /nfs/dbraw/zinc/62/87/38/387628738.db2.gz QIFAVMWYKQCIKV-AWEZNQCLSA-N 2 1 233.359 1.774 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376032921 387600680 /nfs/dbraw/zinc/60/06/80/387600680.db2.gz QCFXDNCBXKFUCJ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376032921 387600687 /nfs/dbraw/zinc/60/06/87/387600687.db2.gz QCFXDNCBXKFUCJ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000643515698 387609193 /nfs/dbraw/zinc/60/91/93/387609193.db2.gz RGMMZRXFYMNPBM-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000422700374 387615234 /nfs/dbraw/zinc/61/52/34/387615234.db2.gz GSHXRCQVNBUYOQ-CYBMUJFWSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000422700374 387615237 /nfs/dbraw/zinc/61/52/37/387615237.db2.gz GSHXRCQVNBUYOQ-CYBMUJFWSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1c[nH+]ccc1N ZINC000422701023 387616396 /nfs/dbraw/zinc/61/63/96/387616396.db2.gz HVVKVIFPCNIXRG-MNOVXSKESA-N 2 1 235.331 1.714 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422703598 387618732 /nfs/dbraw/zinc/61/87/32/387618732.db2.gz NMTQEOQSFSHOFE-UONOGXRCSA-N 2 1 239.407 1.720 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1(O)CCCC1 ZINC000305652674 387624140 /nfs/dbraw/zinc/62/41/40/387624140.db2.gz UXSFOKRVICVSPO-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1(O)CCCC1 ZINC000305652674 387624144 /nfs/dbraw/zinc/62/41/44/387624144.db2.gz UXSFOKRVICVSPO-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1(O)CCCC1 ZINC000305652674 387624150 /nfs/dbraw/zinc/62/41/50/387624150.db2.gz UXSFOKRVICVSPO-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CC[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356223393 387629698 /nfs/dbraw/zinc/62/96/98/387629698.db2.gz NZSPQGJEKAHINY-LLVKDONJSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)[C@H]1C ZINC000399588422 387556901 /nfs/dbraw/zinc/55/69/01/387556901.db2.gz JUBYIHHUBNDEQW-OWTLIXCDSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)[C@H]1C ZINC000399588422 387556903 /nfs/dbraw/zinc/55/69/03/387556903.db2.gz JUBYIHHUBNDEQW-OWTLIXCDSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)[C@H]1C ZINC000399588422 387556908 /nfs/dbraw/zinc/55/69/08/387556908.db2.gz JUBYIHHUBNDEQW-OWTLIXCDSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)[C@H]1C ZINC000399588422 387556909 /nfs/dbraw/zinc/55/69/09/387556909.db2.gz JUBYIHHUBNDEQW-OWTLIXCDSA-N 2 1 240.391 1.418 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000422716671 387627872 /nfs/dbraw/zinc/62/78/72/387627872.db2.gz UYNQRBPDFCYSIN-OLZOCXBDSA-N 3 1 239.407 1.306 20 0 BDADMP CC[C@@H](NCC[N@@H+](C)CC)[C@H]1CCCC[NH2+]1 ZINC000422716809 387627946 /nfs/dbraw/zinc/62/79/46/387627946.db2.gz NXEXZOUMPJPEIV-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](CO)C(C)(C)C ZINC000305704660 387631252 /nfs/dbraw/zinc/63/12/52/387631252.db2.gz XQIIPCANZNQTKP-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](CO)C(C)(C)C ZINC000305704660 387631256 /nfs/dbraw/zinc/63/12/56/387631256.db2.gz XQIIPCANZNQTKP-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](CO)C(C)(C)C ZINC000305704660 387631259 /nfs/dbraw/zinc/63/12/59/387631259.db2.gz XQIIPCANZNQTKP-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H](NCC[N@@H+](C)CC)[C@@H]1CCC[NH2+]1 ZINC000422723031 387634163 /nfs/dbraw/zinc/63/41/63/387634163.db2.gz ZLBAYJCPPGRCHZ-NEPJUHHUSA-N 2 1 213.369 1.058 20 0 BDADMP CCCNC(=O)CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422727011 387636070 /nfs/dbraw/zinc/63/60/70/387636070.db2.gz BFPYNTVBUIKUTN-NEPJUHHUSA-N 2 1 241.379 1.023 20 0 BDADMP CCCNC(=O)CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422727012 387636593 /nfs/dbraw/zinc/63/65/93/387636593.db2.gz BFPYNTVBUIKUTN-RYUDHWBXSA-N 2 1 241.379 1.023 20 0 BDADMP C[C@@H]([NH2+]CCc1ccccn1)c1c[nH+]ccc1N ZINC000422732074 387640250 /nfs/dbraw/zinc/64/02/50/387640250.db2.gz NHDOZUYUFGOHPU-LLVKDONJSA-N 2 1 242.326 1.782 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422734115 387640542 /nfs/dbraw/zinc/64/05/42/387640542.db2.gz RVPNQQLFZLPQKH-WFASDCNBSA-N 2 1 248.370 1.825 20 0 BDADMP CCOCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422732652 387640878 /nfs/dbraw/zinc/64/08/78/387640878.db2.gz QCRJSRNLIAJAMZ-SNVBAGLBSA-N 2 1 223.320 1.571 20 0 BDADMP C[C@@H](NCC[N@@H+](C)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400754899 387646042 /nfs/dbraw/zinc/64/60/42/387646042.db2.gz WRNTZSLFVBYTOQ-TZMCWYRMSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422747622 387651219 /nfs/dbraw/zinc/65/12/19/387651219.db2.gz ZCLSCNWPQDGYND-NWANDNLSSA-N 2 1 248.370 1.320 20 0 BDADMP CSCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422759067 387660155 /nfs/dbraw/zinc/66/01/55/387660155.db2.gz OUUBTGRXWMJSGA-SECBINFHSA-N 2 1 225.361 1.898 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422758803 387660903 /nfs/dbraw/zinc/66/09/03/387660903.db2.gz JZFONUKJWVAJPA-AGIUHOORSA-N 2 1 242.407 1.904 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422765516 387665258 /nfs/dbraw/zinc/66/52/58/387665258.db2.gz WJAGNYYNFOFBRB-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422765516 387665260 /nfs/dbraw/zinc/66/52/60/387665260.db2.gz WJAGNYYNFOFBRB-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000305947044 387668694 /nfs/dbraw/zinc/66/86/94/387668694.db2.gz GVJZDFHBGNTDQC-VXGBXAGGSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422768092 387668954 /nfs/dbraw/zinc/66/89/54/387668954.db2.gz UFHNMYGTEYLQBE-WOPDTQHZSA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422767828 387669071 /nfs/dbraw/zinc/66/90/71/387669071.db2.gz RRWUDSRBGGOMOB-DCAQKATOSA-N 2 1 200.326 1.142 20 0 BDADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@H]2CCCO[C@H]21 ZINC000422775847 387673249 /nfs/dbraw/zinc/67/32/49/387673249.db2.gz BMODXOXRZILATL-DDHJBXDOSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000422776811 387674433 /nfs/dbraw/zinc/67/44/33/387674433.db2.gz DNSJMXKAYJZDHF-DCAQKATOSA-N 3 1 201.358 1.042 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000422780237 387678652 /nfs/dbraw/zinc/67/86/52/387678652.db2.gz JFHOHHWVJGYWCT-MELADBBJSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000422778628 387679283 /nfs/dbraw/zinc/67/92/83/387679283.db2.gz HMDNJIJWQIBBRE-SYQHCUMBSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCN1C ZINC000422778628 387679287 /nfs/dbraw/zinc/67/92/87/387679287.db2.gz HMDNJIJWQIBBRE-SYQHCUMBSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000422778628 387679291 /nfs/dbraw/zinc/67/92/91/387679291.db2.gz HMDNJIJWQIBBRE-SYQHCUMBSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000422778628 387679297 /nfs/dbraw/zinc/67/92/97/387679297.db2.gz HMDNJIJWQIBBRE-SYQHCUMBSA-N 3 1 239.407 1.447 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422782429 387681603 /nfs/dbraw/zinc/68/16/03/387681603.db2.gz MYHGBYHMHHSKSK-IJLUTSLNSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[N@@H+](C)C1CC1 ZINC000422743903 387689934 /nfs/dbraw/zinc/68/99/34/387689934.db2.gz SDDZISNOVSUJHI-BNOWGMLFSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N(C)C1CC1 ZINC000422743903 387689941 /nfs/dbraw/zinc/68/99/41/387689941.db2.gz SDDZISNOVSUJHI-BNOWGMLFSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000422791342 387692826 /nfs/dbraw/zinc/69/28/26/387692826.db2.gz UVKRDNVKSVLHNS-STQMWFEESA-N 3 1 227.396 1.578 20 0 BDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000356968006 387756170 /nfs/dbraw/zinc/75/61/70/387756170.db2.gz AUUAIVGEVCUQSH-MCIONIFRSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000356968006 387756174 /nfs/dbraw/zinc/75/61/74/387756174.db2.gz AUUAIVGEVCUQSH-MCIONIFRSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000356968006 387756180 /nfs/dbraw/zinc/75/61/80/387756180.db2.gz AUUAIVGEVCUQSH-MCIONIFRSA-N 2 1 239.407 1.495 20 0 BDADMP COCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422878068 387756273 /nfs/dbraw/zinc/75/62/73/387756273.db2.gz IURDVDTZLMPTFB-QWRGUYRKSA-N 2 1 200.326 1.001 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422864850 387747202 /nfs/dbraw/zinc/74/72/02/387747202.db2.gz WMCXWQYLFNHDIO-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H](CN[C@@H](C)C1C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000422869797 387748455 /nfs/dbraw/zinc/74/84/55/387748455.db2.gz YATXJORIZGMFBL-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422868274 387750388 /nfs/dbraw/zinc/75/03/88/387750388.db2.gz UTCMOWBVFJMMON-AGIUHOORSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC[C@@H](C)C1 ZINC000422868274 387750394 /nfs/dbraw/zinc/75/03/94/387750394.db2.gz UTCMOWBVFJMMON-AGIUHOORSA-N 2 1 227.396 1.434 20 0 BDADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OC ZINC000643525714 387751483 /nfs/dbraw/zinc/75/14/83/387751483.db2.gz CIYWAOZYKDSZIL-ZJUUUORDSA-N 2 1 238.331 1.702 20 0 BDADMP CCCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422795207 387696896 /nfs/dbraw/zinc/69/68/96/387696896.db2.gz ZZBCWBREBHPSPI-OLZOCXBDSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422802693 387701447 /nfs/dbraw/zinc/70/14/47/387701447.db2.gz BSGKIDMWPWDWQU-STQMWFEESA-N 2 1 240.391 1.517 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422810910 387707490 /nfs/dbraw/zinc/70/74/90/387707490.db2.gz UYFCIKKECAVSQV-KGLIPLIRSA-N 2 1 247.342 1.614 20 0 BDADMP C[NH+](C)Cc1cccc(CNC2CC[NH2+]CC2)c1 ZINC000422809480 387709412 /nfs/dbraw/zinc/70/94/12/387709412.db2.gz PXBLDGDETZUXTQ-UHFFFAOYSA-N 2 1 247.386 1.590 20 0 BDADMP C[C@@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422812423 387710650 /nfs/dbraw/zinc/71/06/50/387710650.db2.gz QHVCLRQGIHDYDP-HIFRSBDPSA-N 2 1 247.386 1.853 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422814781 387714384 /nfs/dbraw/zinc/71/43/84/387714384.db2.gz WBMPQYICCJVQIP-KGLIPLIRSA-N 2 1 239.407 1.722 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422814674 387715021 /nfs/dbraw/zinc/71/50/21/387715021.db2.gz VWLMGXNAVRDEHA-OLZOCXBDSA-N 2 1 242.407 1.763 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC12CC(C1)CO2 ZINC000527791044 387718215 /nfs/dbraw/zinc/71/82/15/387718215.db2.gz PPZIERKUMGCRBL-UHFFFAOYSA-N 2 1 247.342 1.416 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422828114 387724290 /nfs/dbraw/zinc/72/42/90/387724290.db2.gz SVVDCGCXIUNUDV-KBPBESRZSA-N 2 1 241.423 1.968 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000422839179 387727547 /nfs/dbraw/zinc/72/75/47/387727547.db2.gz PTZGXFFVCPSOSJ-CYZMBNFOSA-N 3 1 225.380 1.057 20 0 BDADMP c1cn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128004483 387731193 /nfs/dbraw/zinc/73/11/93/387731193.db2.gz ORZJBZHPQSLSCB-QWHCGFSZSA-N 2 1 234.347 1.100 20 0 BDADMP c1cn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128004254 387731601 /nfs/dbraw/zinc/73/16/01/387731601.db2.gz ORZJBZHPQSLSCB-CHWSQXEVSA-N 2 1 234.347 1.100 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000422877495 387756595 /nfs/dbraw/zinc/75/65/95/387756595.db2.gz HXLJNHGOSDBEBA-STQMWFEESA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000128029394 387735887 /nfs/dbraw/zinc/73/58/87/387735887.db2.gz HHZSKLWNHDFVEZ-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128029394 387735892 /nfs/dbraw/zinc/73/58/92/387735892.db2.gz HHZSKLWNHDFVEZ-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128029394 387735902 /nfs/dbraw/zinc/73/59/02/387735902.db2.gz HHZSKLWNHDFVEZ-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422852723 387737549 /nfs/dbraw/zinc/73/75/49/387737549.db2.gz BCBDZBZELMODKG-AAVRWANBSA-N 2 1 239.407 1.719 20 0 BDADMP C1C[C@H]2CC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C[C@@H]1[NH2+]2 ZINC000422879741 387756071 /nfs/dbraw/zinc/75/60/71/387756071.db2.gz KYBZLSBMZUZCPZ-WQGXVZNYSA-N 2 1 249.402 1.486 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422859041 387740266 /nfs/dbraw/zinc/74/02/66/387740266.db2.gz JLZZOSQWQXNHBM-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422859041 387740276 /nfs/dbraw/zinc/74/02/76/387740276.db2.gz JLZZOSQWQXNHBM-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422857806 387740693 /nfs/dbraw/zinc/74/06/93/387740693.db2.gz HXYWABPUPVJNIJ-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422890348 387762862 /nfs/dbraw/zinc/76/28/62/387762862.db2.gz IGIQFQFIWZSUEE-IJLUTSLNSA-N 2 1 214.353 1.268 20 0 BDADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527142 387763009 /nfs/dbraw/zinc/76/30/09/387763009.db2.gz DFCJSZOYKAPMBZ-GWCFXTLKSA-N 2 1 204.317 1.919 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422890351 387763354 /nfs/dbraw/zinc/76/33/54/387763354.db2.gz IGIQFQFIWZSUEE-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000643527561 387765726 /nfs/dbraw/zinc/76/57/26/387765726.db2.gz OMTKQRXQZLUZGT-QWRGUYRKSA-N 2 1 221.348 1.750 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000643527960 387766606 /nfs/dbraw/zinc/76/66/06/387766606.db2.gz WEDKYZSAJYTBCN-GHMZBOCLSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000643528220 387767284 /nfs/dbraw/zinc/76/72/84/387767284.db2.gz FPEXICQXYGSMJY-VHSXEESVSA-N 2 1 247.342 1.569 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422904254 387767566 /nfs/dbraw/zinc/76/75/66/387767566.db2.gz GNCBGPRXOGLXKM-JHJVBQTASA-N 2 1 227.396 1.447 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000643528642 387768900 /nfs/dbraw/zinc/76/89/00/387768900.db2.gz MKXTZVGCWMBZQX-PRHODGIISA-N 2 1 208.280 1.750 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccnc1 ZINC000643528656 387769167 /nfs/dbraw/zinc/76/91/67/387769167.db2.gz MOIVNLDIDXREIM-ZYHUDNBSSA-N 2 1 207.321 1.716 20 0 BDADMP C[C@H]([NH3+])CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000643528921 387772266 /nfs/dbraw/zinc/77/22/66/387772266.db2.gz QVJVRDCYEFOLPG-IPYPFGDCSA-N 2 1 247.386 1.444 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CC12CC2 ZINC000527892086 387776749 /nfs/dbraw/zinc/77/67/49/387776749.db2.gz NAIHGOFEWWARJY-PWSUYJOCSA-N 2 1 219.332 1.741 20 0 BDADMP CC(C)C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309446074 387779501 /nfs/dbraw/zinc/77/95/01/387779501.db2.gz PDCOSHNJRRFXCF-DGCLKSJQSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309446074 387779507 /nfs/dbraw/zinc/77/95/07/387779507.db2.gz PDCOSHNJRRFXCF-DGCLKSJQSA-N 2 1 228.380 1.466 20 0 BDADMP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422928205 387779706 /nfs/dbraw/zinc/77/97/06/387779706.db2.gz JMUMVJKXJPPXIS-UONOGXRCSA-N 2 1 234.343 1.843 20 0 BDADMP COc1ccc(C2([NH2+][C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000422932129 387780895 /nfs/dbraw/zinc/78/08/95/387780895.db2.gz DQWAOCKBWJYILB-LLVKDONJSA-N 2 1 246.354 1.882 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000422932345 387781955 /nfs/dbraw/zinc/78/19/55/387781955.db2.gz FNPVUQXXZMFBQJ-JQWIXIFHSA-N 2 1 208.349 1.764 20 0 BDADMP COC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422934461 387783041 /nfs/dbraw/zinc/78/30/41/387783041.db2.gz JLSOLFZDXKOLLH-ADEWGFFLSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000432363646 387785058 /nfs/dbraw/zinc/78/50/58/387785058.db2.gz WNTURGBQKGZZHZ-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000432363646 387785068 /nfs/dbraw/zinc/78/50/68/387785068.db2.gz WNTURGBQKGZZHZ-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422901116 387785167 /nfs/dbraw/zinc/78/51/67/387785167.db2.gz BPTVCWJSMAWKDS-MELADBBJSA-N 2 1 241.423 1.694 20 0 BDADMP CC1CC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000432424064 387789096 /nfs/dbraw/zinc/78/90/96/387789096.db2.gz MSICSWTYUWBZFQ-MOKVOYLWSA-N 2 1 240.391 1.875 20 0 BDADMP CC1CC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000432424064 387789102 /nfs/dbraw/zinc/78/91/02/387789102.db2.gz MSICSWTYUWBZFQ-MOKVOYLWSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000422986781 387795668 /nfs/dbraw/zinc/79/56/68/387795668.db2.gz HIDZAGVAWDWGBS-RYUDHWBXSA-N 3 1 241.423 1.965 20 0 BDADMP OCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000157449453 387796098 /nfs/dbraw/zinc/79/60/98/387796098.db2.gz RDLVTIBAYQNYFY-STQMWFEESA-N 2 1 238.375 1.365 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC23CC(C2)CO3)[C@H](C)C1 ZINC000527978968 387796848 /nfs/dbraw/zinc/79/68/48/387796848.db2.gz LZQYCCIRVAFWSA-ZIHBUVQPSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422995857 387802254 /nfs/dbraw/zinc/80/22/54/387802254.db2.gz ZNWGEOGSZCKEME-CABZTGNLSA-N 2 1 223.320 1.162 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422995858 387802685 /nfs/dbraw/zinc/80/26/85/387802685.db2.gz ZNWGEOGSZCKEME-JOYOIKCWSA-N 2 1 223.320 1.162 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000151135230 387802941 /nfs/dbraw/zinc/80/29/41/387802941.db2.gz PUFMRCOLNBXLQX-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CCc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])on1 ZINC000643457219 387808122 /nfs/dbraw/zinc/80/81/22/387808122.db2.gz GXDNERGJYUDZOP-IUCAKERBSA-N 2 1 211.309 1.452 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2cocn2)CC1 ZINC000432740656 387811687 /nfs/dbraw/zinc/81/16/87/387811687.db2.gz BMYHWVDAXVOUTE-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882297 387757502 /nfs/dbraw/zinc/75/75/02/387757502.db2.gz ZWPKZVNPPSAFJH-IPNSXDPFSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882297 387757506 /nfs/dbraw/zinc/75/75/06/387757506.db2.gz ZWPKZVNPPSAFJH-IPNSXDPFSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000422880751 387758501 /nfs/dbraw/zinc/75/85/01/387758501.db2.gz MPRPYXMGHDRKQI-ZDEQEGDKSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCOC1 ZINC000129071399 387761250 /nfs/dbraw/zinc/76/12/50/387761250.db2.gz AJFPITIXZSCPTK-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCOC1 ZINC000129071399 387761255 /nfs/dbraw/zinc/76/12/55/387761255.db2.gz AJFPITIXZSCPTK-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1c[nH+]ccc1N ZINC000423003366 387825463 /nfs/dbraw/zinc/82/54/63/387825463.db2.gz HPEYWQPUOHELLB-SDDRHHMPSA-N 2 1 249.358 1.696 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1c[nH+]ccc1N ZINC000423009590 387833657 /nfs/dbraw/zinc/83/36/57/387833657.db2.gz VWIXAIOVULFGSF-IJLUTSLNSA-N 2 1 249.358 1.696 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCN(C)c1ccccc1 ZINC000442765896 387834827 /nfs/dbraw/zinc/83/48/27/387834827.db2.gz KATQLMUJOFGHAI-ZIAGYGMSSA-N 2 1 247.386 1.792 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000423026832 387844559 /nfs/dbraw/zinc/84/45/59/387844559.db2.gz CEBJZNVAWUKFTC-BFHYXJOUSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@@H]([NH2+]CC1(CO)CCC1)[C@H]1CCCC[NH2+]1 ZINC000423030886 387846343 /nfs/dbraw/zinc/84/63/43/387846343.db2.gz KCJIAZCXHMNWSQ-VXGBXAGGSA-N 2 1 226.364 1.269 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1nccs1 ZINC000423031430 387847088 /nfs/dbraw/zinc/84/70/88/387847088.db2.gz DHPOWEOLOKVQJG-HBNTYKKESA-N 2 1 239.388 1.834 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCCO1)c1c[nH+]ccc1N ZINC000643459698 387848623 /nfs/dbraw/zinc/84/86/23/387848623.db2.gz SLEIZAJRJPWFRN-WDEREUQCSA-N 2 1 235.331 1.714 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169233584 387850998 /nfs/dbraw/zinc/85/09/98/387850998.db2.gz VITXGOQHFNYKKG-TVYUQYBPSA-N 2 1 220.316 1.756 20 0 BDADMP CC1=CC[N@H+](CCN[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423038786 387852732 /nfs/dbraw/zinc/85/27/32/387852732.db2.gz PBBBXXDNXYUSAK-ZIAGYGMSSA-N 2 1 237.391 1.355 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423038786 387852734 /nfs/dbraw/zinc/85/27/34/387852734.db2.gz PBBBXXDNXYUSAK-ZIAGYGMSSA-N 2 1 237.391 1.355 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000423073290 387874180 /nfs/dbraw/zinc/87/41/80/387874180.db2.gz ILRJBRDONHMLGS-QWHCGFSZSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCCC(C)(C)C1 ZINC000423073290 387874184 /nfs/dbraw/zinc/87/41/84/387874184.db2.gz ILRJBRDONHMLGS-QWHCGFSZSA-N 2 1 241.423 1.824 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423059073 387864127 /nfs/dbraw/zinc/86/41/27/387864127.db2.gz KZKYYYBPETXQRN-CHWSQXEVSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000423059573 387866020 /nfs/dbraw/zinc/86/60/20/387866020.db2.gz FVTLSHNTHOKAJQ-WYUUTHIRSA-N 2 1 212.337 1.020 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](C)OC)[C@@H]1CCC[NH2+]1 ZINC000423062302 387867309 /nfs/dbraw/zinc/86/73/09/387867309.db2.gz SVSLUKHWYDOQCO-AXFHLTTASA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000423062860 387867334 /nfs/dbraw/zinc/86/73/34/387867334.db2.gz UZIORZUYKMARHS-KVSVUVNWSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423071861 387872831 /nfs/dbraw/zinc/87/28/31/387872831.db2.gz GCNVRHCNGMCGJL-OBJOEFQTSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOC(F)F ZINC000423108258 387892836 /nfs/dbraw/zinc/89/28/36/387892836.db2.gz GAOFKRVSIYWEED-DTWKUNHWSA-N 2 1 222.279 1.203 20 0 BDADMP Cc1cccc(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000423111142 387893120 /nfs/dbraw/zinc/89/31/20/387893120.db2.gz VYNFRKJXMIYVER-DOMZBBRYSA-N 2 1 247.386 1.910 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOC(F)F ZINC000423108259 387893703 /nfs/dbraw/zinc/89/37/03/387893703.db2.gz GAOFKRVSIYWEED-IUCAKERBSA-N 2 1 222.279 1.203 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000423114713 387896023 /nfs/dbraw/zinc/89/60/23/387896023.db2.gz WAMNJABQOJFEGH-LPWJVIDDSA-N 2 1 226.364 1.247 20 0 BDADMP c1cc2cc(CC[NH2+][C@H]3CC[NH2+]C3)ccc2[nH]1 ZINC000423113634 387896270 /nfs/dbraw/zinc/89/62/70/387896270.db2.gz YSIOMPANLABKKQ-ZDUSSCGKSA-N 2 1 229.327 1.662 20 0 BDADMP C[C@H]1C[N@@H+](C)CCN1CCC[NH+]1CCCCC1 ZINC000444629463 387896769 /nfs/dbraw/zinc/89/67/69/387896769.db2.gz WCHXJOCUHQFISH-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460260 387875653 /nfs/dbraw/zinc/87/56/53/387875653.db2.gz GYPCXIPVHUKQHM-SGMGOOAPSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085181 387879525 /nfs/dbraw/zinc/87/95/25/387879525.db2.gz JYAFECFJMMQXIN-DGCLKSJQSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085181 387879529 /nfs/dbraw/zinc/87/95/29/387879529.db2.gz JYAFECFJMMQXIN-DGCLKSJQSA-N 2 1 239.407 1.304 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423115938 387898466 /nfs/dbraw/zinc/89/84/66/387898466.db2.gz ZBXBHQWHMJXBMF-AVGNSLFASA-N 2 1 225.380 1.330 20 0 BDADMP CSC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423090149 387883892 /nfs/dbraw/zinc/88/38/92/387883892.db2.gz UOVMJOUZVWNOMD-UWVGGRQHSA-N 2 1 214.378 1.470 20 0 BDADMP Cc1csc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000643460722 387885237 /nfs/dbraw/zinc/88/52/37/387885237.db2.gz MGXLGFNQTHJDDR-KOLCDFICSA-N 2 1 239.388 1.582 20 0 BDADMP COc1ncccc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423141757 387918293 /nfs/dbraw/zinc/91/82/93/387918293.db2.gz RPSWPSZQWLADSO-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP CC[C@H]([NH2+]C[C@H](OC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423140539 387918306 /nfs/dbraw/zinc/91/83/06/387918306.db2.gz YXQHFLCJFPDRGG-AVGNSLFASA-N 2 1 226.364 1.532 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423141906 387919065 /nfs/dbraw/zinc/91/90/65/387919065.db2.gz SJBCBHYYYCUREI-BFHYXJOUSA-N 2 1 241.423 1.824 20 0 BDADMP C[NH+](C)C1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645775998 387899423 /nfs/dbraw/zinc/89/94/23/387899423.db2.gz ULSRXLUUVNPXHH-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ncccc1N(C)C ZINC000423118980 387900252 /nfs/dbraw/zinc/90/02/52/387900252.db2.gz AWBKSUNQJXEAPJ-WDEREUQCSA-N 2 1 236.363 1.363 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133161 387908782 /nfs/dbraw/zinc/90/87/82/387908782.db2.gz CHAZPGBTAQKELW-MCIONIFRSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423133483 387911665 /nfs/dbraw/zinc/91/16/65/387911665.db2.gz KTKZAMLWTGQAJQ-RVMXOQNASA-N 2 1 244.354 1.481 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423135206 387912393 /nfs/dbraw/zinc/91/23/93/387912393.db2.gz FNNZXLABHVHHKD-IHRRRGAJSA-N 2 1 241.423 1.694 20 0 BDADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423137597 387913760 /nfs/dbraw/zinc/91/37/60/387913760.db2.gz IGBXAFRIESQMCF-QWHCGFSZSA-N 3 1 229.412 1.824 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423137597 387913764 /nfs/dbraw/zinc/91/37/64/387913764.db2.gz IGBXAFRIESQMCF-QWHCGFSZSA-N 3 1 229.412 1.824 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)OC ZINC000423139494 387915950 /nfs/dbraw/zinc/91/59/50/387915950.db2.gz KWLGVODVJSZUMR-VHSXEESVSA-N 2 1 223.320 1.570 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423139463 387916407 /nfs/dbraw/zinc/91/64/07/387916407.db2.gz KTNVFEDCEVRGQQ-RWMBFGLXSA-N 2 1 229.412 1.822 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423139391 387916740 /nfs/dbraw/zinc/91/67/40/387916740.db2.gz ZSNFOZZPSDATHM-JTQLQIEISA-N 2 1 237.347 1.817 20 0 BDADMP CCC[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000423151060 387929936 /nfs/dbraw/zinc/92/99/36/387929936.db2.gz ZRPYUKRVAWMCPF-WOPDTQHZSA-N 2 1 214.353 1.532 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000459410481 387937323 /nfs/dbraw/zinc/93/73/23/387937323.db2.gz RZZALCTUEMBWRS-UONOGXRCSA-N 2 1 249.358 1.510 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423153913 387931705 /nfs/dbraw/zinc/93/17/05/387931705.db2.gz OCCWJOZTNLDDNG-DCAQKATOSA-N 2 1 224.352 1.679 20 0 BDADMP CO[C@@H]([C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423152601 387931730 /nfs/dbraw/zinc/93/17/30/387931730.db2.gz FVYYRWODYILGLA-AAXDQBDMSA-N 2 1 226.364 1.530 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000392198429 387934869 /nfs/dbraw/zinc/93/48/69/387934869.db2.gz WDDSFRVVPTVEEY-ZIAGYGMSSA-N 3 1 237.391 1.355 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423146313 387921949 /nfs/dbraw/zinc/92/19/49/387921949.db2.gz ABVNRIWTUBVDAW-DDHJBXDOSA-N 2 1 212.337 1.284 20 0 BDADMP COCCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287068 387952804 /nfs/dbraw/zinc/95/28/04/387952804.db2.gz IIWOIHUKVGECBH-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP COCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCCC1 ZINC000423159199 387939226 /nfs/dbraw/zinc/93/92/26/387939226.db2.gz FNHHQINCZBUGCE-OLZOCXBDSA-N 2 1 240.391 1.781 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423160401 387940766 /nfs/dbraw/zinc/94/07/66/387940766.db2.gz HCTHRZFOHAOHSK-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000423159530 387942144 /nfs/dbraw/zinc/94/21/44/387942144.db2.gz FVAANBORBWGHCV-NDBYEHHHSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H](CCC[NH3+])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162285 387942886 /nfs/dbraw/zinc/94/28/86/387942886.db2.gz OZKKJEQVSPKXOL-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H](CCC[NH3+])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162286 387943945 /nfs/dbraw/zinc/94/39/45/387943945.db2.gz OZKKJEQVSPKXOL-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423162820 387945062 /nfs/dbraw/zinc/94/50/62/387945062.db2.gz QHFWCOJUYPUTIN-YVECIDJPSA-N 2 1 226.364 1.125 20 0 BDADMP CCOC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300501 387959961 /nfs/dbraw/zinc/95/99/61/387959961.db2.gz WKIFZXJWPGRKNK-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000423175794 387961372 /nfs/dbraw/zinc/96/13/72/387961372.db2.gz FCZGVMPJGAKEJK-OCCSQVGLSA-N 2 1 247.386 1.947 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000423175795 387962159 /nfs/dbraw/zinc/96/21/59/387962159.db2.gz FCZGVMPJGAKEJK-TZMCWYRMSA-N 2 1 247.386 1.947 20 0 BDADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423180553 387966418 /nfs/dbraw/zinc/96/64/18/387966418.db2.gz FFHCGRIORCVVSE-YNEHKIRRSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423170392 387957555 /nfs/dbraw/zinc/95/75/55/387957555.db2.gz XYFMNDQJRZYKBO-CHWSQXEVSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[NH2+]CC1 ZINC000071508086 135021267 /nfs/dbraw/zinc/02/12/67/135021267.db2.gz SKPQHXSDIMWZJN-UHFFFAOYSA-N 2 1 200.326 1.097 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[NH2+]CC1 ZINC000071508086 135021270 /nfs/dbraw/zinc/02/12/70/135021270.db2.gz SKPQHXSDIMWZJN-UHFFFAOYSA-N 2 1 200.326 1.097 20 0 BDADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000423195766 387980660 /nfs/dbraw/zinc/98/06/60/387980660.db2.gz ZXZKGMSUFJQFGW-LERXQTSPSA-N 2 1 234.343 1.736 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158967861 387977050 /nfs/dbraw/zinc/97/70/50/387977050.db2.gz FAALJTOTVAJJAB-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158967861 387977056 /nfs/dbraw/zinc/97/70/56/387977056.db2.gz FAALJTOTVAJJAB-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158967861 387977059 /nfs/dbraw/zinc/97/70/59/387977059.db2.gz FAALJTOTVAJJAB-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213254 387994629 /nfs/dbraw/zinc/99/46/29/387994629.db2.gz NEDRTFWPBCOYMZ-GXFFZTMASA-N 2 1 248.374 1.744 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000245805213 387984904 /nfs/dbraw/zinc/98/49/04/387984904.db2.gz CAXILOIFHYMSSX-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCC1 ZINC000453106744 387986350 /nfs/dbraw/zinc/98/63/50/387986350.db2.gz ZWTNYHSXZRAMCS-ZIAGYGMSSA-N 2 1 242.407 1.857 20 0 BDADMP CN(C)c1nc(N[C@H]2CC[C@H]([NH3+])CC2)cc[nH+]1 ZINC000322076095 387997080 /nfs/dbraw/zinc/99/70/80/387997080.db2.gz DYJMJILNBQGRGA-MGCOHNPYSA-N 2 1 235.335 1.224 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423214328 387997340 /nfs/dbraw/zinc/99/73/40/387997340.db2.gz OQDYPNZMAIBJBW-JHJVBQTASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423214328 387997344 /nfs/dbraw/zinc/99/73/44/387997344.db2.gz OQDYPNZMAIBJBW-JHJVBQTASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000420411544 387998661 /nfs/dbraw/zinc/99/86/61/387998661.db2.gz RVFANXZISXYXND-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2)[C@H]1CCC[NH2+]C1 ZINC000420406561 387998933 /nfs/dbraw/zinc/99/89/33/387998933.db2.gz UPUOGCYILAYHQV-MCIONIFRSA-N 2 1 237.391 1.202 20 0 BDADMP C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000420406561 387998937 /nfs/dbraw/zinc/99/89/37/387998937.db2.gz UPUOGCYILAYHQV-MCIONIFRSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1(C(=O)OC)CCC1 ZINC000423220701 388002038 /nfs/dbraw/zinc/00/20/38/388002038.db2.gz YGPJUUQDUDCMAD-WDEREUQCSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423220289 388002745 /nfs/dbraw/zinc/00/27/45/388002745.db2.gz XWTRNTLBWXVTME-YIYPIFLZSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220289 388002747 /nfs/dbraw/zinc/00/27/47/388002747.db2.gz XWTRNTLBWXVTME-YIYPIFLZSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220289 388002751 /nfs/dbraw/zinc/00/27/51/388002751.db2.gz XWTRNTLBWXVTME-YIYPIFLZSA-N 3 1 239.407 1.304 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156612734 388010740 /nfs/dbraw/zinc/01/07/40/388010740.db2.gz YKQMSXPMDWLUTG-SDDRHHMPSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156612734 388010744 /nfs/dbraw/zinc/01/07/44/388010744.db2.gz YKQMSXPMDWLUTG-SDDRHHMPSA-N 2 1 214.353 1.076 20 0 BDADMP CCCCO[C@@H]1C[C@H]([NH2+]CC[NH2+]C)C1(C)C ZINC000423226881 388011914 /nfs/dbraw/zinc/01/19/14/388011914.db2.gz SQQKOAWZXSYMMZ-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]C ZINC000423235396 388019345 /nfs/dbraw/zinc/01/93/45/388019345.db2.gz ASCWXEAADCRRSC-WDEREUQCSA-N 2 1 200.326 1.001 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C12CCC2 ZINC000423239038 388022255 /nfs/dbraw/zinc/02/22/55/388022255.db2.gz ROYRPVLLAXJJDL-JHJVBQTASA-N 2 1 238.375 1.676 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423252155 388033413 /nfs/dbraw/zinc/03/34/13/388033413.db2.gz XDQFZZCOJZAYGX-RYUDHWBXSA-N 2 1 236.363 1.255 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000082645594 388038173 /nfs/dbraw/zinc/03/81/73/388038173.db2.gz UAYGNPMQWHSRRN-WCQYABFASA-N 2 1 219.332 1.641 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000082645596 388039338 /nfs/dbraw/zinc/03/93/38/388039338.db2.gz UAYGNPMQWHSRRN-AAEUAGOBSA-N 2 1 219.332 1.641 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423266033 388044687 /nfs/dbraw/zinc/04/46/87/388044687.db2.gz RPMMZYZPXLJALY-XBFCOCLRSA-N 2 1 240.391 1.909 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423264002 388042114 /nfs/dbraw/zinc/04/21/14/388042114.db2.gz PJYQIRWXMBJKRS-YNEHKIRRSA-N 2 1 239.407 1.575 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@@H]1C ZINC000423263543 388042355 /nfs/dbraw/zinc/04/23/55/388042355.db2.gz OSNQSIXFNINORI-GMTAPVOTSA-N 2 1 200.326 1.127 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]([NH3+])c2ccccc2)C1 ZINC000423245355 388027971 /nfs/dbraw/zinc/02/79/71/388027971.db2.gz OSLZHGKEZYIUIM-AEGPPILISA-N 2 1 247.386 1.616 20 0 BDADMP CC[N@@H+]1C[C@H](NC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000423245360 388029016 /nfs/dbraw/zinc/02/90/16/388029016.db2.gz OSLZHGKEZYIUIM-QEJZJMRPSA-N 2 1 247.386 1.616 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000453348620 388053876 /nfs/dbraw/zinc/05/38/76/388053876.db2.gz FVDNQNUPZUIZCM-XDQVBPFNSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000447300891 388061683 /nfs/dbraw/zinc/06/16/83/388061683.db2.gz ZTIRLWFDOUUWTF-CLLJXQQHSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)C2)C1 ZINC000447300891 388061688 /nfs/dbraw/zinc/06/16/88/388061688.db2.gz ZTIRLWFDOUUWTF-CLLJXQQHSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)C2)C1 ZINC000447300891 388061693 /nfs/dbraw/zinc/06/16/93/388061693.db2.gz ZTIRLWFDOUUWTF-CLLJXQQHSA-N 2 1 226.364 1.031 20 0 BDADMP CCc1cc(NC[C@H]2CCC[NH2+]2)nc(C)[nH+]1 ZINC000084082127 388069590 /nfs/dbraw/zinc/06/95/90/388069590.db2.gz LXLYDCLSJPBZIM-LLVKDONJSA-N 2 1 220.320 1.511 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423286509 388070621 /nfs/dbraw/zinc/07/06/21/388070621.db2.gz HSDDCLGMABBFFB-RYUDHWBXSA-N 2 1 239.407 1.719 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423286509 388070625 /nfs/dbraw/zinc/07/06/25/388070625.db2.gz HSDDCLGMABBFFB-RYUDHWBXSA-N 2 1 239.407 1.719 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000423287241 388072138 /nfs/dbraw/zinc/07/21/38/388072138.db2.gz LASHTWHQMOWTRM-JTQLQIEISA-N 2 1 238.379 1.897 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000423288443 388072883 /nfs/dbraw/zinc/07/28/83/388072883.db2.gz SBSNGEIMLBPYAI-MNOVXSKESA-N 2 1 213.369 1.044 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000423288443 388072885 /nfs/dbraw/zinc/07/28/85/388072885.db2.gz SBSNGEIMLBPYAI-MNOVXSKESA-N 2 1 213.369 1.044 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423288022 388073135 /nfs/dbraw/zinc/07/31/35/388073135.db2.gz PYGVFIRQOBNQGQ-VXGBXAGGSA-N 2 1 227.396 1.576 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423289948 388074279 /nfs/dbraw/zinc/07/42/79/388074279.db2.gz YOVSDXGOZKBTIF-RYUDHWBXSA-N 2 1 227.396 1.434 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)C1CCOCC1 ZINC000423297932 388079796 /nfs/dbraw/zinc/07/97/96/388079796.db2.gz MMBWBDICUMBGKL-WCQYABFASA-N 2 1 228.380 1.909 20 0 BDADMP C[N@@H+](CCCC[NH2+]C[C@H]1CCCOC1)C1CC1 ZINC000453591566 388088338 /nfs/dbraw/zinc/08/83/38/388088338.db2.gz CREIGJQGXLKMHO-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@@H](C)C2)c1C ZINC000085434552 388088401 /nfs/dbraw/zinc/08/84/01/388088401.db2.gz OMXHTYYMYXKBRE-NSHDSACASA-N 2 1 249.358 1.501 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000118946447 388100238 /nfs/dbraw/zinc/10/02/38/388100238.db2.gz JBTDPOFJKGJVML-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000086873066 388109361 /nfs/dbraw/zinc/10/93/61/388109361.db2.gz XRPOVFJZSCZYGC-GFCCVEGCSA-N 2 1 238.375 1.772 20 0 BDADMP COC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C(C)C ZINC000423266843 388045625 /nfs/dbraw/zinc/04/56/25/388045625.db2.gz SJQXRXBVOGNIRB-NEPJUHHUSA-N 2 1 216.369 1.620 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000423270662 388048813 /nfs/dbraw/zinc/04/88/13/388048813.db2.gz IIQUQZDPODJFHU-NWDGAFQWSA-N 2 1 224.352 1.444 20 0 BDADMP C[C@@H](CF)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000646215192 388166274 /nfs/dbraw/zinc/16/62/74/388166274.db2.gz JWHTUYWVFHYVCL-HBNTYKKESA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H](CF)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000646215192 388166277 /nfs/dbraw/zinc/16/62/77/388166277.db2.gz JWHTUYWVFHYVCL-HBNTYKKESA-N 2 1 200.301 1.561 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250572853 388177336 /nfs/dbraw/zinc/17/73/36/388177336.db2.gz FBGWNLBEMNYRJO-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000488563658 388185801 /nfs/dbraw/zinc/18/58/01/388185801.db2.gz UICLTXYYFLQEQL-LPWJVIDDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000488563658 388185804 /nfs/dbraw/zinc/18/58/04/388185804.db2.gz UICLTXYYFLQEQL-LPWJVIDDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000488563658 388185805 /nfs/dbraw/zinc/18/58/05/388185805.db2.gz UICLTXYYFLQEQL-LPWJVIDDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000488563658 388185808 /nfs/dbraw/zinc/18/58/08/388185808.db2.gz UICLTXYYFLQEQL-LPWJVIDDSA-N 2 1 208.349 1.668 20 0 BDADMP CC[C@H](C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104927 388143424 /nfs/dbraw/zinc/14/34/24/388143424.db2.gz WDZLSTVEOGDDPN-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449107284 388143728 /nfs/dbraw/zinc/14/37/28/388143728.db2.gz OWTWBERIVRUNLH-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CC1(C)C ZINC000489499341 388218974 /nfs/dbraw/zinc/21/89/74/388218974.db2.gz QITGRNYDSCKOJL-LLVKDONJSA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CC1(C)C ZINC000489499341 388218976 /nfs/dbraw/zinc/21/89/76/388218976.db2.gz QITGRNYDSCKOJL-LLVKDONJSA-N 2 1 207.321 1.922 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccnc1 ZINC000276664664 388350685 /nfs/dbraw/zinc/35/06/85/388350685.db2.gz OGWGNBZUFKSQMO-LLVKDONJSA-N 2 1 230.315 1.708 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000235348607 388368329 /nfs/dbraw/zinc/36/83/29/388368329.db2.gz RSXDMRQQRDXCFL-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](CCC(F)(F)F)C1 ZINC000235391442 388368707 /nfs/dbraw/zinc/36/87/07/388368707.db2.gz SWYQGPLUPOMEAJ-QMMMGPOBSA-N 2 1 210.243 1.610 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(F)(F)F)C1 ZINC000235391442 388368709 /nfs/dbraw/zinc/36/87/09/388368709.db2.gz SWYQGPLUPOMEAJ-QMMMGPOBSA-N 2 1 210.243 1.610 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC2C[NH2+]C2)C1 ZINC000572749225 388373264 /nfs/dbraw/zinc/37/32/64/388373264.db2.gz KBOTUUDKARUOCN-OCCSQVGLSA-N 2 1 245.370 1.383 20 0 BDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC2C[NH2+]C2)C1 ZINC000572749224 388373865 /nfs/dbraw/zinc/37/38/65/388373865.db2.gz KBOTUUDKARUOCN-JSGCOSHPSA-N 2 1 245.370 1.383 20 0 BDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000572881768 388383845 /nfs/dbraw/zinc/38/38/45/388383845.db2.gz NZDMEHXOOWSHMR-DHMWGJHJSA-N 2 1 248.370 1.712 20 0 BDADMP FC1(F)CC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000300854768 388398465 /nfs/dbraw/zinc/39/84/65/388398465.db2.gz KBDMWJWNVKUEOE-MXWKQRLJSA-N 2 1 230.302 1.573 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCCC1 ZINC000335302454 388449822 /nfs/dbraw/zinc/44/98/22/388449822.db2.gz DDVCWVZZDXGBRP-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCCC1 ZINC000335302454 388449824 /nfs/dbraw/zinc/44/98/24/388449824.db2.gz DDVCWVZZDXGBRP-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336712670 388466419 /nfs/dbraw/zinc/46/64/19/388466419.db2.gz SSWZVZXVPQVRDE-QJPTWQEYSA-N 2 1 246.420 1.173 20 0 BDADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336712670 388466422 /nfs/dbraw/zinc/46/64/22/388466422.db2.gz SSWZVZXVPQVRDE-QJPTWQEYSA-N 2 1 246.420 1.173 20 0 BDADMP CN(C)Cc1cnc(CNC(C)(C)CO)s1 ZINC000336724870 388469804 /nfs/dbraw/zinc/46/98/04/388469804.db2.gz BLDNENFYWROHSS-UHFFFAOYSA-N 2 1 243.376 1.065 20 0 BDADMP CC[C@@H](C)C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000336725390 388470327 /nfs/dbraw/zinc/47/03/27/388470327.db2.gz GKIVHMRGHFAHIT-NXEZZACHSA-N 2 1 207.321 1.903 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC[NH3+] ZINC000307596966 388424137 /nfs/dbraw/zinc/42/41/37/388424137.db2.gz MYWILWJLRKCTRR-GXTWGEPZSA-N 2 1 233.359 1.055 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000573145858 388425080 /nfs/dbraw/zinc/42/50/80/388425080.db2.gz XFKLTTCTAFVVHN-UHFFFAOYSA-N 2 1 247.346 1.293 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000573145858 388425081 /nfs/dbraw/zinc/42/50/81/388425081.db2.gz XFKLTTCTAFVVHN-UHFFFAOYSA-N 2 1 247.346 1.293 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCC2)CC[N@@H+]1C ZINC000353510907 388542199 /nfs/dbraw/zinc/54/21/99/388542199.db2.gz OKVKEMPVEURROO-BNOWGMLFSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCC2)CC[N@H+]1C ZINC000353510907 388542204 /nfs/dbraw/zinc/54/22/04/388542204.db2.gz OKVKEMPVEURROO-BNOWGMLFSA-N 2 1 240.391 1.610 20 0 BDADMP Cc1ccncc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000135457271 388496139 /nfs/dbraw/zinc/49/61/39/388496139.db2.gz SXVKNNVRZAHFNI-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccncc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000135457271 388496143 /nfs/dbraw/zinc/49/61/43/388496143.db2.gz SXVKNNVRZAHFNI-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000344289583 388505775 /nfs/dbraw/zinc/50/57/75/388505775.db2.gz LFMOXWRFXKNHCB-GFCCVEGCSA-N 2 1 248.374 1.816 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000378839679 388519230 /nfs/dbraw/zinc/51/92/30/388519230.db2.gz XGRVIBGERRLKSU-MELADBBJSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000378839679 388519232 /nfs/dbraw/zinc/51/92/32/388519232.db2.gz XGRVIBGERRLKSU-MELADBBJSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348257873 388527316 /nfs/dbraw/zinc/52/73/16/388527316.db2.gz TZCBCYMSDIAWRP-MJBXVCDLSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348257870 388527755 /nfs/dbraw/zinc/52/77/55/388527755.db2.gz TZCBCYMSDIAWRP-BFHYXJOUSA-N 2 1 240.391 1.467 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000352539442 388536354 /nfs/dbraw/zinc/53/63/54/388536354.db2.gz ARQXCBPDXMYGQI-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328158939 388558092 /nfs/dbraw/zinc/55/80/92/388558092.db2.gz GTPSXPFKWPUOHR-MJBXVCDLSA-N 2 1 240.391 1.598 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](C)O ZINC000386746322 388576428 /nfs/dbraw/zinc/57/64/28/388576428.db2.gz ZSFOMIYYINSYGX-KXNHARMFSA-N 2 1 214.353 1.218 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](C)O ZINC000386746322 388576431 /nfs/dbraw/zinc/57/64/31/388576431.db2.gz ZSFOMIYYINSYGX-KXNHARMFSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224552122 388666646 /nfs/dbraw/zinc/66/66/46/388666646.db2.gz QODLWGQMDAFTSR-WOPDTQHZSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224552122 388666647 /nfs/dbraw/zinc/66/66/47/388666647.db2.gz QODLWGQMDAFTSR-WOPDTQHZSA-N 2 1 214.353 1.220 20 0 BDADMP CC1(C)CCC[C@@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000521983201 388672566 /nfs/dbraw/zinc/67/25/66/388672566.db2.gz DZUPEHRTHWTGJE-GFCCVEGCSA-N 2 1 228.380 1.456 20 0 BDADMP CC1(C)CCC[C@@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000521983201 388672567 /nfs/dbraw/zinc/67/25/67/388672567.db2.gz DZUPEHRTHWTGJE-GFCCVEGCSA-N 2 1 228.380 1.456 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)OC)[C@H](C)C1 ZINC000248416164 388679355 /nfs/dbraw/zinc/67/93/55/388679355.db2.gz IOFRTIOQOZPPFE-AGIUHOORSA-N 2 1 228.380 1.683 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)OC)[C@H](C)C1 ZINC000248416164 388679357 /nfs/dbraw/zinc/67/93/57/388679357.db2.gz IOFRTIOQOZPPFE-AGIUHOORSA-N 2 1 228.380 1.683 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)OC)[C@H](C)C1 ZINC000248416164 388679360 /nfs/dbraw/zinc/67/93/60/388679360.db2.gz IOFRTIOQOZPPFE-AGIUHOORSA-N 2 1 228.380 1.683 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248455871 388681337 /nfs/dbraw/zinc/68/13/37/388681337.db2.gz ZXSAYAPZPNXNSJ-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP CO[C@@H](C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248455871 388681339 /nfs/dbraw/zinc/68/13/39/388681339.db2.gz ZXSAYAPZPNXNSJ-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP CO[C@@H](C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248455871 388681341 /nfs/dbraw/zinc/68/13/41/388681341.db2.gz ZXSAYAPZPNXNSJ-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CC(C)(C)C2)CCO1 ZINC000530212068 388627494 /nfs/dbraw/zinc/62/74/94/388627494.db2.gz OFIJFZWROBWPEN-PWSUYJOCSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1 ZINC000530212068 388627496 /nfs/dbraw/zinc/62/74/96/388627496.db2.gz OFIJFZWROBWPEN-PWSUYJOCSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)CC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000530219010 388632211 /nfs/dbraw/zinc/63/22/11/388632211.db2.gz IMQRHQXIYVXWFQ-OLZOCXBDSA-N 2 1 222.376 1.964 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000521858917 388634797 /nfs/dbraw/zinc/63/47/97/388634797.db2.gz BGCLEAPTXUDKMB-MJBXVCDLSA-N 3 1 239.407 1.496 20 0 BDADMP C[N@H+](C[C@H]1CCCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000246682718 388648836 /nfs/dbraw/zinc/64/88/36/388648836.db2.gz BDVHJRWKFSPLOB-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C[C@H]1CCCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000246682718 388648837 /nfs/dbraw/zinc/64/88/37/388648837.db2.gz BDVHJRWKFSPLOB-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C[C@H]1CCCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000246682718 388648838 /nfs/dbraw/zinc/64/88/38/388648838.db2.gz BDVHJRWKFSPLOB-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223287521 388649074 /nfs/dbraw/zinc/64/90/74/388649074.db2.gz VAFBFERLLLHSLN-RWMBFGLXSA-N 2 1 230.396 1.713 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000223209112 388649313 /nfs/dbraw/zinc/64/93/13/388649313.db2.gz AJCQAEFGJDTUQY-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000223534135 388654474 /nfs/dbraw/zinc/65/44/74/388654474.db2.gz QTHJVLOOGNIUDR-GRYCIOLGSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@@H+]1C ZINC000246967616 388656920 /nfs/dbraw/zinc/65/69/20/388656920.db2.gz IFSAETZKOXPFIQ-XDQVBPFNSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1C ZINC000246967616 388656921 /nfs/dbraw/zinc/65/69/21/388656921.db2.gz IFSAETZKOXPFIQ-XDQVBPFNSA-N 2 1 240.391 1.610 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)COC)C1 ZINC000249849082 388734041 /nfs/dbraw/zinc/73/40/41/388734041.db2.gz OZZAPYVEVAEXSY-KBPBESRZSA-N 2 1 242.407 1.933 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249849082 388734043 /nfs/dbraw/zinc/73/40/43/388734043.db2.gz OZZAPYVEVAEXSY-KBPBESRZSA-N 2 1 242.407 1.933 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249849082 388734045 /nfs/dbraw/zinc/73/40/45/388734045.db2.gz OZZAPYVEVAEXSY-KBPBESRZSA-N 2 1 242.407 1.933 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250573352 388738012 /nfs/dbraw/zinc/73/80/12/388738012.db2.gz LRJTWZTUJXHHKO-RWMBFGLXSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250572574 388738087 /nfs/dbraw/zinc/73/80/87/388738087.db2.gz LRJTWZTUJXHHKO-FRRDWIJNSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000128105518 388739177 /nfs/dbraw/zinc/73/91/77/388739177.db2.gz WPYFGEUTBKWEAK-OLZOCXBDSA-N 2 1 236.363 1.203 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261527423 388742833 /nfs/dbraw/zinc/74/28/33/388742833.db2.gz BALVWQWTFLTEGA-DCAQKATOSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000229936105 388805532 /nfs/dbraw/zinc/80/55/32/388805532.db2.gz HETXUOGAPBDYNE-QJPTWQEYSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000229936105 388805538 /nfs/dbraw/zinc/80/55/38/388805538.db2.gz HETXUOGAPBDYNE-QJPTWQEYSA-N 2 1 225.380 1.151 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC000230049398 388811994 /nfs/dbraw/zinc/81/19/94/388811994.db2.gz OPEVDMBEINCADF-RWMBFGLXSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)CC[N@H+]1C ZINC000252203142 388761604 /nfs/dbraw/zinc/76/16/04/388761604.db2.gz WRECUQSEKWUBPY-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000252708589 388772155 /nfs/dbraw/zinc/77/21/55/388772155.db2.gz AMODOLHEMRSXOD-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703289 388772518 /nfs/dbraw/zinc/77/25/18/388772518.db2.gz QIMFCPBUIWBUOP-SRVKXCTJSA-N 2 1 228.405 1.954 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129643604 388861178 /nfs/dbraw/zinc/86/11/78/388861178.db2.gz GJGFFLYMULFCIK-CHWSQXEVSA-N 2 1 228.380 1.874 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000565159559 388919061 /nfs/dbraw/zinc/91/90/61/388919061.db2.gz ZYDBEDKIRSORIH-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000565159559 388919066 /nfs/dbraw/zinc/91/90/66/388919066.db2.gz ZYDBEDKIRSORIH-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000565159559 388919059 /nfs/dbraw/zinc/91/90/59/388919059.db2.gz ZYDBEDKIRSORIH-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000565159559 388919064 /nfs/dbraw/zinc/91/90/64/388919064.db2.gz ZYDBEDKIRSORIH-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000565159559 388919070 /nfs/dbraw/zinc/91/90/70/388919070.db2.gz ZYDBEDKIRSORIH-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@]1(C)CO ZINC000565645187 388959791 /nfs/dbraw/zinc/95/97/91/388959791.db2.gz FGGYGFZPSDFYTD-NWDGAFQWSA-N 2 1 214.353 1.207 20 0 BDADMP Cn1cncc1CCCN1CCO[C@H](C2CC2)C1 ZINC000565665452 388962387 /nfs/dbraw/zinc/96/23/87/388962387.db2.gz HCTWDIIUBAJTNF-AWEZNQCLSA-N 2 1 249.358 1.464 20 0 BDADMP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400726925 533362204 /nfs/dbraw/zinc/36/22/04/533362204.db2.gz PRJIDNIWXIZFTI-VXGBXAGGSA-N 2 1 226.364 1.412 20 0 BDADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000261580702 533364988 /nfs/dbraw/zinc/36/49/88/533364988.db2.gz NCOPPTUZYVTCDG-AGIUHOORSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]([NH2+]CCOC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400346727 533398613 /nfs/dbraw/zinc/39/86/13/533398613.db2.gz ABKJOGIPJJUPHT-HTQZYQBOSA-N 2 1 226.242 1.253 20 0 BDADMP CC(C)CC[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000109279668 166833913 /nfs/dbraw/zinc/83/39/13/166833913.db2.gz XSCPUXGZFYDUNF-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP Cc1cccc(N2CCC[C@H](C[NH3+])C2)[nH+]1 ZINC000044532132 132224932 /nfs/dbraw/zinc/22/49/32/132224932.db2.gz FSMWPRBAHMJEDF-LLVKDONJSA-N 2 1 205.305 1.565 20 0 BDADMP Cc1cc(N2CC[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC000336355691 132246821 /nfs/dbraw/zinc/24/68/21/132246821.db2.gz ARMQWHAWSCKVPR-LLVKDONJSA-N 2 1 205.305 1.530 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000168562761 134226654 /nfs/dbraw/zinc/22/66/54/134226654.db2.gz FPRGLZOMXAWOSN-NXEZZACHSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000168562761 134226655 /nfs/dbraw/zinc/22/66/55/134226655.db2.gz FPRGLZOMXAWOSN-NXEZZACHSA-N 2 1 209.293 1.152 20 0 BDADMP CCOCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169239035 134250105 /nfs/dbraw/zinc/25/01/05/134250105.db2.gz BMYCLBGATCPPJK-QWHCGFSZSA-N 2 1 220.316 1.757 20 0 BDADMP CCOC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000219302647 134281508 /nfs/dbraw/zinc/28/15/08/134281508.db2.gz OAUHOBORBKAQTO-LJZITESISA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000220507977 134309576 /nfs/dbraw/zinc/30/95/76/134309576.db2.gz KBWNIJUAOKSUNX-MRVPVSSYSA-N 2 1 214.259 1.792 20 0 BDADMP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C1 ZINC000178958871 134313607 /nfs/dbraw/zinc/31/36/07/134313607.db2.gz BFROUUUEOMLWIE-MRTXSQPYSA-N 2 1 236.359 1.523 20 0 BDADMP COC1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000220839222 134316022 /nfs/dbraw/zinc/31/60/22/134316022.db2.gz VJFBMXAZNVOTEJ-ZBOXLXRLSA-N 2 1 224.348 1.238 20 0 BDADMP COC1CC([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000220837156 134316047 /nfs/dbraw/zinc/31/60/47/134316047.db2.gz BRPFISKGTJYHAH-RUXDESIVSA-N 2 1 240.391 1.874 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000179308741 134320458 /nfs/dbraw/zinc/32/04/58/134320458.db2.gz RQFZTABLEMXOJL-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cn[nH]c1 ZINC000222460129 134332024 /nfs/dbraw/zinc/33/20/24/134332024.db2.gz JSPFEGMTNGCCNZ-CYZMBNFOSA-N 2 1 234.347 1.687 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cn[nH]c1 ZINC000222460129 134332025 /nfs/dbraw/zinc/33/20/25/134332025.db2.gz JSPFEGMTNGCCNZ-CYZMBNFOSA-N 2 1 234.347 1.687 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@@H+]1C ZINC000181522271 134337521 /nfs/dbraw/zinc/33/75/21/134337521.db2.gz XFAPHODHPWZOMX-XQQFMLRXSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@H+]1C ZINC000181522271 134337522 /nfs/dbraw/zinc/33/75/22/134337522.db2.gz XFAPHODHPWZOMX-XQQFMLRXSA-N 2 1 242.407 1.856 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182185735 134342421 /nfs/dbraw/zinc/34/24/21/134342421.db2.gz XVOSWJNALVZZBV-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227543072 134383205 /nfs/dbraw/zinc/38/32/05/134383205.db2.gz GJCKZKZVNWSPTN-OASPWFOLSA-N 2 1 220.316 1.492 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070656618 135005733 /nfs/dbraw/zinc/00/57/33/135005733.db2.gz QANLJWLTTJVSAC-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000248665019 135018245 /nfs/dbraw/zinc/01/82/45/135018245.db2.gz LBDCLPIPRXHCAW-OLZOCXBDSA-N 2 1 249.358 1.281 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000249685248 135044056 /nfs/dbraw/zinc/04/40/56/135044056.db2.gz MQDUWQXQEPACQP-SYQHCUMBSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000249758555 135044373 /nfs/dbraw/zinc/04/43/73/135044373.db2.gz VPIWQBAQYPIIRB-FRRDWIJNSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249758555 135044375 /nfs/dbraw/zinc/04/43/75/135044375.db2.gz VPIWQBAQYPIIRB-FRRDWIJNSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](C)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249758555 135044377 /nfs/dbraw/zinc/04/43/77/135044377.db2.gz VPIWQBAQYPIIRB-FRRDWIJNSA-N 2 1 227.396 1.256 20 0 BDADMP Cc1cc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)on1 ZINC000249813888 135046463 /nfs/dbraw/zinc/04/64/63/135046463.db2.gz JPAPUAUKVZTNSQ-SUZMYJTESA-N 2 1 237.347 1.801 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC[N@@H+]1C ZINC000250050520 135048161 /nfs/dbraw/zinc/04/81/61/135048161.db2.gz LWMZCXCTOLOJDV-RGDJUOJXSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC[N@H+]1C ZINC000250050520 135048162 /nfs/dbraw/zinc/04/81/62/135048162.db2.gz LWMZCXCTOLOJDV-RGDJUOJXSA-N 2 1 238.375 1.626 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250229509 135050619 /nfs/dbraw/zinc/05/06/19/135050619.db2.gz FYNYSHHEZMSPSP-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP c1cn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250249985 135051909 /nfs/dbraw/zinc/05/19/09/135051909.db2.gz ORZJBZHPQSLSCB-STQMWFEESA-N 3 1 234.347 1.100 20 0 BDADMP CC(C)(O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250373235 135052295 /nfs/dbraw/zinc/05/22/95/135052295.db2.gz XGXUYAWSZFAZRK-RYUDHWBXSA-N 2 1 226.364 1.364 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)CCOC)C1 ZINC000251254960 135066928 /nfs/dbraw/zinc/06/69/28/135066928.db2.gz VCAIRZKDYJJCIL-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325695 135068252 /nfs/dbraw/zinc/06/82/52/135068252.db2.gz OQBXLCQPYUAFCY-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000251762393 135076255 /nfs/dbraw/zinc/07/62/55/135076255.db2.gz KGRROGCMFNPWFZ-ZOBORPQBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCOCC[NH3+] ZINC000086435553 135084145 /nfs/dbraw/zinc/08/41/45/135084145.db2.gz CXAAFDIWBKRQLY-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCOCC[NH3+] ZINC000086435357 135084220 /nfs/dbraw/zinc/08/42/20/135084220.db2.gz YWQMVTYSKZQKFR-PHIMTYICSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH3+] ZINC000086501011 135087149 /nfs/dbraw/zinc/08/71/49/135087149.db2.gz LNOBKBSHJOAXAE-NWDGAFQWSA-N 3 1 213.369 1.236 20 0 BDADMP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000086728676 135094864 /nfs/dbraw/zinc/09/48/64/135094864.db2.gz LCNPRQYQWJESRW-JSGCOSHPSA-N 2 1 218.344 1.878 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252682962 135096239 /nfs/dbraw/zinc/09/62/39/135096239.db2.gz CYQVCAKMRKWFNU-WYTNZGFTSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252682962 135096241 /nfs/dbraw/zinc/09/62/41/135096241.db2.gz CYQVCAKMRKWFNU-WYTNZGFTSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252691601 135097173 /nfs/dbraw/zinc/09/71/73/135097173.db2.gz YMSOLVLADSQKEY-RNJOBUHISA-N 2 1 224.348 1.380 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252709124 135098414 /nfs/dbraw/zinc/09/84/14/135098414.db2.gz CBDZBYNSJHVBKC-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252711132 135099355 /nfs/dbraw/zinc/09/93/55/135099355.db2.gz IPQUNRKRTJEZPF-FRRDWIJNSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H]1CN(c2cc[nH+]cc2Cl)CC[C@@H]1[NH3+] ZINC000086887257 135100269 /nfs/dbraw/zinc/10/02/69/135100269.db2.gz RVMZAERYUUDHLW-WPRPVWTQSA-N 2 1 225.723 1.909 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252730603 135103526 /nfs/dbraw/zinc/10/35/26/135103526.db2.gz MCIKLZZUXMBKOU-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000252787437 135110158 /nfs/dbraw/zinc/11/01/58/135110158.db2.gz WLLQAXFACSVMHP-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000252787437 135110160 /nfs/dbraw/zinc/11/01/60/135110160.db2.gz WLLQAXFACSVMHP-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000252787437 135110162 /nfs/dbraw/zinc/11/01/62/135110162.db2.gz WLLQAXFACSVMHP-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252790403 135110493 /nfs/dbraw/zinc/11/04/93/135110493.db2.gz YUBOLZSXFJALAC-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc[nH+]1 ZINC000252946069 135117522 /nfs/dbraw/zinc/11/75/22/135117522.db2.gz MIOCBLFRQGXEHJ-UONOGXRCSA-N 2 1 247.342 1.665 20 0 BDADMP C[N@@H+](CCOCC1CC1)CC[C@H]1CC[NH2+]C1 ZINC000087399850 135128431 /nfs/dbraw/zinc/12/84/31/135128431.db2.gz MWXUVWUEPQVMJN-GFCCVEGCSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@]1(F)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000258105608 135131901 /nfs/dbraw/zinc/13/19/01/135131901.db2.gz OGRLXTMWNVSTPP-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@]1(F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000258105608 135131903 /nfs/dbraw/zinc/13/19/03/135131903.db2.gz OGRLXTMWNVSTPP-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257685775 135139334 /nfs/dbraw/zinc/13/93/34/135139334.db2.gz MFDDLPZNSVWNJP-ZDUSSCGKSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257685775 135139335 /nfs/dbraw/zinc/13/93/35/135139335.db2.gz MFDDLPZNSVWNJP-ZDUSSCGKSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1cn[nH]c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257677572 135139484 /nfs/dbraw/zinc/13/94/84/135139484.db2.gz KCJGPEWYUFIJLS-UHFFFAOYSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1cccc(N2CC[C@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000257713934 135140479 /nfs/dbraw/zinc/14/04/79/135140479.db2.gz OKDMAFRVKTUQDW-ZDUSSCGKSA-N 2 1 217.316 1.580 20 0 BDADMP C[C@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1[NH3+] ZINC000261527586 135152274 /nfs/dbraw/zinc/15/22/74/135152274.db2.gz DEHSTNYVUFKKCW-IONNQARKSA-N 2 1 211.696 1.518 20 0 BDADMP CCSCC[NH+]1CCC([NH2+]C)CC1 ZINC000261528832 135154484 /nfs/dbraw/zinc/15/44/84/135154484.db2.gz OJCDKLOMLJZFAK-UHFFFAOYSA-N 2 1 202.367 1.423 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccncc1 ZINC000261530355 135157587 /nfs/dbraw/zinc/15/75/87/135157587.db2.gz CPNVDAYDVNAGLP-GFCCVEGCSA-N 2 1 207.321 1.545 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261530338 135157802 /nfs/dbraw/zinc/15/78/02/135157802.db2.gz CMZYSXNEGBZDRK-NSHDSACASA-N 2 1 225.361 1.622 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261530338 135157803 /nfs/dbraw/zinc/15/78/03/135157803.db2.gz CMZYSXNEGBZDRK-NSHDSACASA-N 2 1 225.361 1.622 20 0 BDADMP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000261530514 135157945 /nfs/dbraw/zinc/15/79/45/135157945.db2.gz CPRNBDXBYPYFSM-NWDGAFQWSA-N 2 1 222.357 1.932 20 0 BDADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000261530514 135157946 /nfs/dbraw/zinc/15/79/46/135157946.db2.gz CPRNBDXBYPYFSM-NWDGAFQWSA-N 2 1 222.357 1.932 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087646032 135161408 /nfs/dbraw/zinc/16/14/08/135161408.db2.gz IPHJIXFMTJYJND-ZDUSSCGKSA-N 3 1 227.396 1.308 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CCOCC[NH3+] ZINC000261532130 135162184 /nfs/dbraw/zinc/16/21/84/135162184.db2.gz JGWGEBSUFODTCK-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000261532746 135163494 /nfs/dbraw/zinc/16/34/94/135163494.db2.gz DRIPTIKHSQPKGF-RWMBFGLXSA-N 2 1 227.396 1.434 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000261532747 135163681 /nfs/dbraw/zinc/16/36/81/135163681.db2.gz DRIPTIKHSQPKGF-XQQFMLRXSA-N 2 1 227.396 1.434 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261535276 135169330 /nfs/dbraw/zinc/16/93/30/135169330.db2.gz XTCSEBDHTWAFJC-YNEHKIRRSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261535276 135169332 /nfs/dbraw/zinc/16/93/32/135169332.db2.gz XTCSEBDHTWAFJC-YNEHKIRRSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261535251 135169670 /nfs/dbraw/zinc/16/96/70/135169670.db2.gz XGKPLESKBAKPOU-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP CCN(CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261535251 135169672 /nfs/dbraw/zinc/16/96/72/135169672.db2.gz XGKPLESKBAKPOU-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP c1csc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261535696 135170502 /nfs/dbraw/zinc/17/05/02/135170502.db2.gz PBIOFFALZDHCPV-MNOVXSKESA-N 2 1 222.357 1.789 20 0 BDADMP CO[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1C ZINC000261539614 135177617 /nfs/dbraw/zinc/17/76/17/135177617.db2.gz ALRGZEZXOAFTLY-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](N(C)C)C2)CC[NH2+]1 ZINC000261539697 135178486 /nfs/dbraw/zinc/17/84/86/135178486.db2.gz BCMKPXANTOKINI-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H](CN2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000261539697 135178487 /nfs/dbraw/zinc/17/84/87/135178487.db2.gz BCMKPXANTOKINI-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000261542533 135182990 /nfs/dbraw/zinc/18/29/90/135182990.db2.gz PHDPZPNPMHNUOS-MBNYWOFBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000261542533 135182991 /nfs/dbraw/zinc/18/29/91/135182991.db2.gz PHDPZPNPMHNUOS-MBNYWOFBSA-N 2 1 239.407 1.576 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]12 ZINC000261542694 135183243 /nfs/dbraw/zinc/18/32/43/135183243.db2.gz CHQAVAFCLSQCNI-MRVWCRGKSA-N 2 1 234.318 1.995 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000261542678 135183259 /nfs/dbraw/zinc/18/32/59/135183259.db2.gz HDPYCFWMQMUFLH-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000261544743 135185799 /nfs/dbraw/zinc/18/57/99/135185799.db2.gz ZNGNEZAWEMGFMP-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])Cc1ccccc1C ZINC000261544626 135185973 /nfs/dbraw/zinc/18/59/73/135185973.db2.gz FACJCJPJCYNQLU-UHFFFAOYSA-N 2 1 236.359 1.792 20 0 BDADMP Cc1nc(C)c(C[NH+]2CCC([NH3+])CC2)s1 ZINC000084149015 135186401 /nfs/dbraw/zinc/18/64/01/135186401.db2.gz HCEBJBJQSXPFCE-UHFFFAOYSA-N 2 1 225.361 1.683 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216811 135192468 /nfs/dbraw/zinc/19/24/68/135192468.db2.gz XMNDVUQDLMJNFB-MNOVXSKESA-N 2 1 222.336 1.027 20 0 BDADMP Cc1nc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000084220487 135192741 /nfs/dbraw/zinc/19/27/41/135192741.db2.gz ZVHVWTICZJDEIM-KOLCDFICSA-N 2 1 225.361 1.669 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])Cc1cccc(F)c1 ZINC000261553854 135193877 /nfs/dbraw/zinc/19/38/77/135193877.db2.gz OHROMYSJIQXWHS-UHFFFAOYSA-N 2 1 240.322 1.623 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000261553934 135194100 /nfs/dbraw/zinc/19/41/00/135194100.db2.gz SWTJQRRSKRTPLE-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP CC(C)(C)CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261554562 135194477 /nfs/dbraw/zinc/19/44/77/135194477.db2.gz OYOPGQGLPOBPMD-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]3CCC[C@@H]32)CC[NH2+]C1 ZINC000261559021 135199681 /nfs/dbraw/zinc/19/96/81/135199681.db2.gz YUENVNYQGOSCKI-AVGNSLFASA-N 2 1 208.349 1.860 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261560167 135201000 /nfs/dbraw/zinc/20/10/00/135201000.db2.gz UGYPXYMGCCGBDF-MELADBBJSA-N 2 1 231.343 1.559 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261561237 135202703 /nfs/dbraw/zinc/20/27/03/135202703.db2.gz ANEJQRARWDNMBO-MLGHIDQZSA-N 2 1 208.349 1.702 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261562186 135203800 /nfs/dbraw/zinc/20/38/00/135203800.db2.gz WATMDOKBIRQXSW-OCCSQVGLSA-N 2 1 232.327 1.576 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261562186 135203801 /nfs/dbraw/zinc/20/38/01/135203801.db2.gz WATMDOKBIRQXSW-OCCSQVGLSA-N 2 1 232.327 1.576 20 0 BDADMP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261567118 135209260 /nfs/dbraw/zinc/20/92/60/135209260.db2.gz ZQCMGPSIZBYBCH-CHWSQXEVSA-N 2 1 234.318 1.867 20 0 BDADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261567118 135209262 /nfs/dbraw/zinc/20/92/62/135209262.db2.gz ZQCMGPSIZBYBCH-CHWSQXEVSA-N 2 1 234.318 1.867 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000261576384 135217379 /nfs/dbraw/zinc/21/73/79/135217379.db2.gz KJUALABTFFRETA-DGCLKSJQSA-N 2 1 219.332 1.478 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261576530 135217604 /nfs/dbraw/zinc/21/76/04/135217604.db2.gz NSFGAICTQJHRCZ-NEPJUHHUSA-N 2 1 247.342 1.279 20 0 BDADMP CCc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc(C)[nH+]1 ZINC000261584171 135225424 /nfs/dbraw/zinc/22/54/24/135225424.db2.gz SEDOCRAGYKZLFP-CYZMBNFOSA-N 2 1 246.358 1.521 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1O ZINC000261589398 135229859 /nfs/dbraw/zinc/22/98/59/135229859.db2.gz TXSJBVKHDCIDHU-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC[C@H]1CCCCO1 ZINC000261589978 135231449 /nfs/dbraw/zinc/23/14/49/135231449.db2.gz UGRNAPKRGBBUTB-OLZOCXBDSA-N 2 1 228.380 1.909 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261591760 135232722 /nfs/dbraw/zinc/23/27/22/135232722.db2.gz VOURXFQZOGCXSH-CHWSQXEVSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261595779 135236019 /nfs/dbraw/zinc/23/60/19/135236019.db2.gz YLVXPRZFJUJMTH-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP CCC[N@H+](C[C@H](C)[NH3+])C[C@@H]1CCCCO1 ZINC000261597452 135236825 /nfs/dbraw/zinc/23/68/25/135236825.db2.gz ZBOFNCOLHONRMP-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP CCC[N@@H+](C[C@H](C)[NH3+])C[C@@H]1CCCCO1 ZINC000261597452 135236826 /nfs/dbraw/zinc/23/68/26/135236826.db2.gz ZBOFNCOLHONRMP-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261546968 135239594 /nfs/dbraw/zinc/23/95/94/135239594.db2.gz HORXWZHPOYBBGG-DYEKYZERSA-N 2 1 231.343 1.826 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261546968 135239595 /nfs/dbraw/zinc/23/95/95/135239595.db2.gz HORXWZHPOYBBGG-DYEKYZERSA-N 2 1 231.343 1.826 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(N)c1 ZINC000261750055 135249711 /nfs/dbraw/zinc/24/97/11/135249711.db2.gz WICLNBOLCDEIEH-ZYHUDNBSSA-N 2 1 219.332 1.438 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261749222 135250108 /nfs/dbraw/zinc/25/01/08/135250108.db2.gz CBSKYKYCVNPEET-UONOGXRCSA-N 2 1 240.391 1.471 20 0 BDADMP CC(C)(C)[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000261756869 135250381 /nfs/dbraw/zinc/25/03/81/135250381.db2.gz MBVLFAGKAMBEAU-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000261756869 135250383 /nfs/dbraw/zinc/25/03/83/135250383.db2.gz MBVLFAGKAMBEAU-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP COCC(C)(C)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261782189 135252595 /nfs/dbraw/zinc/25/25/95/135252595.db2.gz FNBZGENQCBBIKH-NWDGAFQWSA-N 2 1 228.380 1.718 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000261805572 135254135 /nfs/dbraw/zinc/25/41/35/135254135.db2.gz HHFRPOJTTLPIPF-QWRGUYRKSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000261805572 135254136 /nfs/dbraw/zinc/25/41/36/135254136.db2.gz HHFRPOJTTLPIPF-QWRGUYRKSA-N 2 1 228.380 1.453 20 0 BDADMP CN1CC[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803605 135254185 /nfs/dbraw/zinc/25/41/85/135254185.db2.gz HDHQBPMCOYMPGA-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803605 135254186 /nfs/dbraw/zinc/25/41/86/135254186.db2.gz HDHQBPMCOYMPGA-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803605 135254187 /nfs/dbraw/zinc/25/41/87/135254187.db2.gz HDHQBPMCOYMPGA-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803605 135254188 /nfs/dbraw/zinc/25/41/88/135254188.db2.gz HDHQBPMCOYMPGA-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803605 135254189 /nfs/dbraw/zinc/25/41/89/135254189.db2.gz HDHQBPMCOYMPGA-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP CCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261814936 135255574 /nfs/dbraw/zinc/25/55/74/135255574.db2.gz RWLJRFFWVJOTRM-CABCVRRESA-N 2 1 248.370 1.697 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261831495 135255917 /nfs/dbraw/zinc/25/59/17/135255917.db2.gz JBVKQFVAPFAVNR-GHMZBOCLSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261831536 135256042 /nfs/dbraw/zinc/25/60/42/135256042.db2.gz JCDBMTOAFZEQDD-RQJABVFESA-N 2 1 240.391 1.467 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261831522 135256053 /nfs/dbraw/zinc/25/60/53/135256053.db2.gz JBZSZPIBHHNCMD-CHWSQXEVSA-N 2 1 226.364 1.474 20 0 BDADMP N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC000261844642 135256936 /nfs/dbraw/zinc/25/69/36/135256936.db2.gz PNRYBPKOAZAASC-UONOGXRCSA-N 2 1 216.328 1.823 20 0 BDADMP [NH3+][C@@H]1CN(CC2CC2)C[C@H]1c1ccccc1 ZINC000261844642 135256937 /nfs/dbraw/zinc/25/69/37/135256937.db2.gz PNRYBPKOAZAASC-UONOGXRCSA-N 2 1 216.328 1.823 20 0 BDADMP NCC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000261890773 135261041 /nfs/dbraw/zinc/26/10/41/135261041.db2.gz ZRRAMWPUKAVVCS-UHFFFAOYSA-N 2 1 247.386 1.447 20 0 BDADMP NCC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000261890773 135261042 /nfs/dbraw/zinc/26/10/42/135261042.db2.gz ZRRAMWPUKAVVCS-UHFFFAOYSA-N 2 1 247.386 1.447 20 0 BDADMP [NH3+]CC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000261890773 135261043 /nfs/dbraw/zinc/26/10/43/135261043.db2.gz ZRRAMWPUKAVVCS-UHFFFAOYSA-N 3 1 247.386 1.447 20 0 BDADMP [NH3+]CC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000261890773 135261044 /nfs/dbraw/zinc/26/10/44/135261044.db2.gz ZRRAMWPUKAVVCS-UHFFFAOYSA-N 3 1 247.386 1.447 20 0 BDADMP COC1CCC([N@@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261909179 135261840 /nfs/dbraw/zinc/26/18/40/135261840.db2.gz XTZSMOBUVVTQJD-JXQTWKCFSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261948452 135264829 /nfs/dbraw/zinc/26/48/29/135264829.db2.gz FQPVHTSTAKKGPG-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261953967 135266247 /nfs/dbraw/zinc/26/62/47/135266247.db2.gz GKFAVNJUEIDVRW-DGCLKSJQSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CC1 ZINC000261967442 135266673 /nfs/dbraw/zinc/26/66/73/135266673.db2.gz QFROLDAYPVICDJ-SCUASFONSA-N 2 1 238.375 1.532 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261975081 135268793 /nfs/dbraw/zinc/26/87/93/135268793.db2.gz QQXZKNKRAPZIBB-QWRGUYRKSA-N 2 1 242.363 1.245 20 0 BDADMP Cc1ccncc1C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262029477 135274261 /nfs/dbraw/zinc/27/42/61/135274261.db2.gz NYKIDURNCLAPMQ-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccncc1C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262029477 135274262 /nfs/dbraw/zinc/27/42/62/135274262.db2.gz NYKIDURNCLAPMQ-CQSZACIVSA-N 2 1 233.359 1.821 20 0 BDADMP Cn1cc([C@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)cn1 ZINC000262103494 135278489 /nfs/dbraw/zinc/27/84/89/135278489.db2.gz VTZBFOCCVLKTMC-GXTWGEPZSA-N 2 1 248.374 1.209 20 0 BDADMP CC(C)(C)[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000262103327 135278495 /nfs/dbraw/zinc/27/84/95/135278495.db2.gz VTISRPHXWDVRPG-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000262103327 135278497 /nfs/dbraw/zinc/27/84/97/135278497.db2.gz VTISRPHXWDVRPG-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262100134 135278914 /nfs/dbraw/zinc/27/89/14/135278914.db2.gz VMROVTRTOHFYGP-XQQFMLRXSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@]1(C[N@H+]2CCOCC3(CC3)C2)CC[NH2+]C1 ZINC000262115614 135279220 /nfs/dbraw/zinc/27/92/20/135279220.db2.gz WVIQVRNVVRBNNY-LBPRGKRZSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CN ZINC000262116245 135279499 /nfs/dbraw/zinc/27/94/99/135279499.db2.gz BKTBOXSDUBHWMS-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1CCCN(CC2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000262116245 135279500 /nfs/dbraw/zinc/27/95/00/135279500.db2.gz BKTBOXSDUBHWMS-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000262134081 135281159 /nfs/dbraw/zinc/28/11/59/135281159.db2.gz OLRYKGHWMXYEPH-CQSZACIVSA-N 2 1 248.370 1.963 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@H]1CCCC[C@@H]1O ZINC000262288855 135290302 /nfs/dbraw/zinc/29/03/02/135290302.db2.gz VUCZFVXYVPGQQJ-KGLIPLIRSA-N 2 1 240.391 1.469 20 0 BDADMP Cc1cnc(CN2CC[N@@H+](C)CC2(C)C)n1C ZINC000342778196 135317376 /nfs/dbraw/zinc/31/73/76/135317376.db2.gz KMYZNGHUYXSGAW-UHFFFAOYSA-N 2 1 236.363 1.255 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[NH3+])C1 ZINC000263062627 135330787 /nfs/dbraw/zinc/33/07/87/135330787.db2.gz VMHNMYDUWDQRBH-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP CCc1nc(N[C@H]2CCC[C@@H]2[NH+](C)C)cc(C)[nH+]1 ZINC000342992634 135342903 /nfs/dbraw/zinc/34/29/03/135342903.db2.gz JIPOZCIATSOHNK-RYUDHWBXSA-N 2 1 248.374 1.664 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299893954 135380735 /nfs/dbraw/zinc/38/07/35/135380735.db2.gz QWILHNZOHWUPLU-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299893954 135380737 /nfs/dbraw/zinc/38/07/37/135380737.db2.gz QWILHNZOHWUPLU-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1c[nH+]ccc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000334388771 135384796 /nfs/dbraw/zinc/38/47/96/135384796.db2.gz RBVMCVDLRDSNKL-TXEJJXNPSA-N 2 1 219.332 1.919 20 0 BDADMP Cc1cc(NC[C@@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC000087655263 135510640 /nfs/dbraw/zinc/51/06/40/135510640.db2.gz SORAGUNTHPJBKK-SNVBAGLBSA-N 2 1 206.293 1.115 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000334842016 135820300 /nfs/dbraw/zinc/82/03/00/135820300.db2.gz ISJYRZAIMNFNHL-CYBMUJFWSA-N 2 1 233.359 1.868 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000334869031 135828463 /nfs/dbraw/zinc/82/84/63/135828463.db2.gz ODIJOLLPMSLPNA-DGCLKSJQSA-N 2 1 219.332 1.620 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H]2C(F)F)CC1 ZINC000348298559 136063455 /nfs/dbraw/zinc/06/34/55/136063455.db2.gz DDJVUKVIMUZPIP-MNOVXSKESA-N 2 1 248.317 1.340 20 0 BDADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[NH3+])CC3 ZINC000335565090 136107587 /nfs/dbraw/zinc/10/75/87/136107587.db2.gz NINSAGJTKUEBCH-NSHDSACASA-N 2 1 243.354 1.882 20 0 BDADMP CC1(C[NH2+][C@@H]2CCCCC[C@H]2N)CC[NH2+]CC1 ZINC000335567216 136108082 /nfs/dbraw/zinc/10/80/82/136108082.db2.gz DUIIJKAFIHLXCX-CHWSQXEVSA-N 2 1 239.407 1.626 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CC[NH2+]C1 ZINC000382753127 397897078 /nfs/dbraw/zinc/89/70/78/397897078.db2.gz IYBGZFSBZMPRGT-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000111356927 397905600 /nfs/dbraw/zinc/90/56/00/397905600.db2.gz BNJYYLOIIHVDEY-CHWSQXEVSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000111356927 397905602 /nfs/dbraw/zinc/90/56/02/397905602.db2.gz BNJYYLOIIHVDEY-CHWSQXEVSA-N 2 1 234.347 1.137 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000649617654 398000183 /nfs/dbraw/zinc/00/01/83/398000183.db2.gz RYQLYYFEVCIZNT-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CC[C@@]2(CCN(C[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000649617654 398000184 /nfs/dbraw/zinc/00/01/84/398000184.db2.gz RYQLYYFEVCIZNT-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CC[C@@]2(CCN(C[C@H]3CCC[N@H+]3C)C2)C1 ZINC000649617654 398000190 /nfs/dbraw/zinc/00/01/90/398000190.db2.gz RYQLYYFEVCIZNT-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000564824540 398045722 /nfs/dbraw/zinc/04/57/22/398045722.db2.gz IFGYKDRFNMDHLQ-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP Cc1cncc([C@@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000184252006 398014034 /nfs/dbraw/zinc/01/40/34/398014034.db2.gz PJEVNDWGVYQYGI-GFCCVEGCSA-N 2 1 221.348 1.992 20 0 BDADMP COc1ccc([C@@H]2CC[N@@H+](CCC[NH3+])C2)cc1 ZINC000414689760 398019602 /nfs/dbraw/zinc/01/96/02/398019602.db2.gz GVTYXRQFLGYHRV-CYBMUJFWSA-N 2 1 234.343 1.833 20 0 BDADMP CO[C@H](C)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373311680 398020577 /nfs/dbraw/zinc/02/05/77/398020577.db2.gz SUGAUWDUUGACDU-SYQHCUMBSA-N 2 1 238.375 1.437 20 0 BDADMP Cc1ccc(O)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000278605513 398040186 /nfs/dbraw/zinc/04/01/86/398040186.db2.gz JBLPIRIETHHJGV-TXEJJXNPSA-N 2 1 247.342 1.089 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414860256 398066719 /nfs/dbraw/zinc/06/67/19/398066719.db2.gz CFXRFLQTAJEATB-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414879506 398079212 /nfs/dbraw/zinc/07/92/12/398079212.db2.gz PRDYDFRLZRPSLA-LBPRGKRZSA-N 2 1 244.342 1.557 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414838126 398052141 /nfs/dbraw/zinc/05/21/41/398052141.db2.gz YQLBKQZFDGEWGU-NWDGAFQWSA-N 2 1 214.353 1.389 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449089512 398057392 /nfs/dbraw/zinc/05/73/92/398057392.db2.gz KVCYZQHBYJIFBM-NQBHXWOUSA-N 2 1 237.347 1.737 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)[C@H](C)O1 ZINC000384734471 398103224 /nfs/dbraw/zinc/10/32/24/398103224.db2.gz KIHZOSOKBAROCG-RHYQMDGZSA-N 2 1 212.337 1.284 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C1(C2CCC2)CC1)C1CC1 ZINC000649811402 398118976 /nfs/dbraw/zinc/11/89/76/398118976.db2.gz QGTCFIKVSHSLIQ-CYBMUJFWSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C1(C2CCC2)CC1)C1CC1 ZINC000649811402 398118978 /nfs/dbraw/zinc/11/89/78/398118978.db2.gz QGTCFIKVSHSLIQ-CYBMUJFWSA-N 2 1 238.375 1.364 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000527105192 398113674 /nfs/dbraw/zinc/11/36/74/398113674.db2.gz ZXKBFHMCKHMMRT-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000527105192 398113677 /nfs/dbraw/zinc/11/36/77/398113677.db2.gz ZXKBFHMCKHMMRT-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000527105192 398113679 /nfs/dbraw/zinc/11/36/79/398113679.db2.gz ZXKBFHMCKHMMRT-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000527105192 398113683 /nfs/dbraw/zinc/11/36/83/398113683.db2.gz ZXKBFHMCKHMMRT-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP CS[C@@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC000294487134 398127515 /nfs/dbraw/zinc/12/75/15/398127515.db2.gz XYXMEHUGYFBWMQ-LLVKDONJSA-N 2 1 225.361 1.629 20 0 BDADMP CC(C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928408 167030144 /nfs/dbraw/zinc/03/01/44/167030144.db2.gz UBACTOHFIHUTLQ-YNEHKIRRSA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928408 167030147 /nfs/dbraw/zinc/03/01/47/167030147.db2.gz UBACTOHFIHUTLQ-YNEHKIRRSA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928408 167030149 /nfs/dbraw/zinc/03/01/49/167030149.db2.gz UBACTOHFIHUTLQ-YNEHKIRRSA-N 2 1 208.349 1.811 20 0 BDADMP Cc1nocc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276334 487529475 /nfs/dbraw/zinc/52/94/75/487529475.db2.gz LGEHVEPUPWZBFU-OCCSQVGLSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1nocc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276334 487529480 /nfs/dbraw/zinc/52/94/80/487529480.db2.gz LGEHVEPUPWZBFU-OCCSQVGLSA-N 2 1 249.358 1.947 20 0 BDADMP C([C@@H]1CC[N@H+]([C@@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000674303620 487557696 /nfs/dbraw/zinc/55/76/96/487557696.db2.gz XNXJZJVWYMVRMH-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C([C@H]1CC[N@H+]([C@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000674303619 487558038 /nfs/dbraw/zinc/55/80/38/487558038.db2.gz XNXJZJVWYMVRMH-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000662320281 487560322 /nfs/dbraw/zinc/56/03/22/487560322.db2.gz SPKPYHGVBYUPGY-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342088824 167218213 /nfs/dbraw/zinc/21/82/13/167218213.db2.gz AQVODVWQMOYNSS-BFHYXJOUSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cn1 ZINC000335174556 487604954 /nfs/dbraw/zinc/60/49/54/487604954.db2.gz VKTYBPJKHZQNBE-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC1CC[NH2+]CC1 ZINC000403806397 409534732 /nfs/dbraw/zinc/53/47/32/409534732.db2.gz LPHYOLWQBDUJBV-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662245749 409538001 /nfs/dbraw/zinc/53/80/01/409538001.db2.gz OGUJSTYOFSLLLO-KOLCDFICSA-N 2 1 223.320 1.542 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662245749 409538008 /nfs/dbraw/zinc/53/80/08/409538008.db2.gz OGUJSTYOFSLLLO-KOLCDFICSA-N 2 1 223.320 1.542 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000662247163 409546378 /nfs/dbraw/zinc/54/63/78/409546378.db2.gz UKRGGAIIMMZYNE-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP CCC[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249536 409548818 /nfs/dbraw/zinc/54/88/18/409548818.db2.gz WLDCPLZGJNNMKZ-NSHDSACASA-N 2 1 212.337 1.239 20 0 BDADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC2(CCC2)C1 ZINC000662255361 409551141 /nfs/dbraw/zinc/55/11/41/409551141.db2.gz OUOPRXKJMGEWIK-GFCCVEGCSA-N 2 1 236.359 1.383 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1=CCCOC1 ZINC000662304913 409628650 /nfs/dbraw/zinc/62/86/50/409628650.db2.gz DHTSZEQDSHFBLC-ZDUSSCGKSA-N 2 1 238.375 1.655 20 0 BDADMP CCC1(CC)CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000662308599 409633267 /nfs/dbraw/zinc/63/32/67/409633267.db2.gz BTJHVCGSXTVLLI-CYBMUJFWSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@]12COC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000662310197 409633326 /nfs/dbraw/zinc/63/33/26/409633326.db2.gz HPYROSCTNAMCAI-ZIAGYGMSSA-N 2 1 238.375 1.344 20 0 BDADMP C[N@H+](CC1=CCSC1)C[C@H]1CCC[NH2+]C1 ZINC000662326781 409642636 /nfs/dbraw/zinc/64/26/36/409642636.db2.gz BWIBNYZWUWUVTF-NSHDSACASA-N 2 1 226.389 1.591 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000662283215 409610193 /nfs/dbraw/zinc/61/01/93/409610193.db2.gz SGSADGXKGGFWBU-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000662283215 409610201 /nfs/dbraw/zinc/61/02/01/409610201.db2.gz SGSADGXKGGFWBU-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2C)CC[C@@H]1[NH3+] ZINC000128281971 410208309 /nfs/dbraw/zinc/20/83/09/410208309.db2.gz QVOYVRBBWXJJBX-YPMHNXCESA-N 2 1 236.363 1.288 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2C)CC[C@@H]1[NH3+] ZINC000128281971 410208314 /nfs/dbraw/zinc/20/83/14/410208314.db2.gz QVOYVRBBWXJJBX-YPMHNXCESA-N 2 1 236.363 1.288 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000663501606 410277421 /nfs/dbraw/zinc/27/74/21/410277421.db2.gz ABGLBLSBAJOEGJ-YNEHKIRRSA-N 3 1 227.396 1.480 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707257 410337747 /nfs/dbraw/zinc/33/77/47/410337747.db2.gz BVMLLJFRBGZEMV-BFHYXJOUSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000650709372 410339798 /nfs/dbraw/zinc/33/97/98/410339798.db2.gz WPUIXXVVFOLEOH-RDBSUJKOSA-N 3 1 237.391 1.047 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000650709372 410339804 /nfs/dbraw/zinc/33/98/04/410339804.db2.gz WPUIXXVVFOLEOH-RDBSUJKOSA-N 2 1 237.391 1.047 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2cc[nH]n2)[C@@H]1CC[NH3+] ZINC000650711505 410341455 /nfs/dbraw/zinc/34/14/55/410341455.db2.gz VYDVTTRVKHFTEJ-ZYHUDNBSSA-N 2 1 222.336 1.359 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)[C@@H]1CC[NH3+] ZINC000650711505 410341457 /nfs/dbraw/zinc/34/14/57/410341457.db2.gz VYDVTTRVKHFTEJ-ZYHUDNBSSA-N 2 1 222.336 1.359 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650712178 410342293 /nfs/dbraw/zinc/34/22/93/410342293.db2.gz UXDCQYXTYVBLDC-GWCFXTLKSA-N 2 1 236.363 1.667 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650712178 410342298 /nfs/dbraw/zinc/34/22/98/410342298.db2.gz UXDCQYXTYVBLDC-GWCFXTLKSA-N 2 1 236.363 1.667 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650712178 410342305 /nfs/dbraw/zinc/34/23/05/410342305.db2.gz UXDCQYXTYVBLDC-GWCFXTLKSA-N 2 1 236.363 1.667 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650712178 410342311 /nfs/dbraw/zinc/34/23/11/410342311.db2.gz UXDCQYXTYVBLDC-GWCFXTLKSA-N 2 1 236.363 1.667 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccc(N)nc2)[C@H]1CC[NH3+] ZINC000650712282 410342459 /nfs/dbraw/zinc/34/24/59/410342459.db2.gz ZBYOMUSONGPRQO-AAEUAGOBSA-N 2 1 248.374 1.443 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C2(CCC2)CO1 ZINC000650720276 410357756 /nfs/dbraw/zinc/35/77/56/410357756.db2.gz KJRNJVHXKWDIOL-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000650724296 410359565 /nfs/dbraw/zinc/35/95/65/410359565.db2.gz BYMHEDYMQTUOEV-VIFPVBQESA-N 2 1 204.264 1.455 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000650724296 410359573 /nfs/dbraw/zinc/35/95/73/410359573.db2.gz BYMHEDYMQTUOEV-VIFPVBQESA-N 2 1 204.264 1.455 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@H+]1C ZINC000650744590 410381285 /nfs/dbraw/zinc/38/12/85/410381285.db2.gz RILJYGNFQLWRGG-RYUDHWBXSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCN1C ZINC000650744590 410381293 /nfs/dbraw/zinc/38/12/93/410381293.db2.gz RILJYGNFQLWRGG-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc21 ZINC000650747523 410387477 /nfs/dbraw/zinc/38/74/77/410387477.db2.gz BSYYBXZHBYFYIX-KGLIPLIRSA-N 2 1 245.370 1.850 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748651 410390605 /nfs/dbraw/zinc/39/06/05/410390605.db2.gz YWJXASOXWJKIPA-NEPJUHHUSA-N 2 1 225.380 1.365 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[C@@H](C)[NH3+] ZINC000664718690 410620509 /nfs/dbraw/zinc/62/05/09/410620509.db2.gz IBSCLBBVPCTNTH-LLVKDONJSA-N 2 1 243.395 1.350 20 0 BDADMP CC[C@H](COCC1CC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665236588 410726655 /nfs/dbraw/zinc/72/66/55/410726655.db2.gz QAIIAMPTSHSFSM-YUTCNCBUSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000393862718 410763024 /nfs/dbraw/zinc/76/30/24/410763024.db2.gz KOBDQQQFVFBZOC-MGPQQGTHSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)OCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000049260890 167230074 /nfs/dbraw/zinc/23/00/74/167230074.db2.gz DEWDIPMCTDXDBZ-UHFFFAOYSA-N 2 1 200.326 1.095 20 0 BDADMP CC(C)OCC[NH2+]C1CC[NH+](C)CC1 ZINC000042224753 167242354 /nfs/dbraw/zinc/24/23/54/167242354.db2.gz OHVNXLMNBQWNQV-UHFFFAOYSA-N 2 1 200.326 1.095 20 0 BDADMP CC(C)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000305164053 167380793 /nfs/dbraw/zinc/38/07/93/167380793.db2.gz XVDZVAPSAQFHPA-ZIAGYGMSSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000300055901 411078023 /nfs/dbraw/zinc/07/80/23/411078023.db2.gz JQVNWBDCISTCRL-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@H]1[NH3+] ZINC000300082066 411081680 /nfs/dbraw/zinc/08/16/80/411081680.db2.gz CQRYWLXCLVQZSH-YRGRVCCFSA-N 2 1 246.354 1.832 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@H]1[NH3+] ZINC000300082066 411081684 /nfs/dbraw/zinc/08/16/84/411081684.db2.gz CQRYWLXCLVQZSH-YRGRVCCFSA-N 2 1 246.354 1.832 20 0 BDADMP C[N@@H+](CC1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000082666941 411151568 /nfs/dbraw/zinc/15/15/68/411151568.db2.gz GOWFRVUQZACSSW-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC3(CCC3)C2)CC[N@@H+]1C ZINC000657890292 411154406 /nfs/dbraw/zinc/15/44/06/411154406.db2.gz PBLAIWODSNMLND-JHJVBQTASA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC3(CCC3)C2)CC[N@H+]1C ZINC000657890292 411154407 /nfs/dbraw/zinc/15/44/07/411154407.db2.gz PBLAIWODSNMLND-JHJVBQTASA-N 2 1 238.375 1.770 20 0 BDADMP CCc1noc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000110650941 411114055 /nfs/dbraw/zinc/11/40/55/411114055.db2.gz OUPBHKUGOPENTF-VIFPVBQESA-N 2 1 238.335 1.191 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCCC(C)(C)C)CCO1 ZINC000300841687 411127220 /nfs/dbraw/zinc/12/72/20/411127220.db2.gz JVYXMGNEDKXAGZ-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCC(C)(C)C)CCO1 ZINC000300841687 411127221 /nfs/dbraw/zinc/12/72/21/411127221.db2.gz JVYXMGNEDKXAGZ-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCCC[C@H]1CO ZINC000653783939 411170619 /nfs/dbraw/zinc/17/06/19/411170619.db2.gz YTZKUOPWVFZKQD-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCCC[C@H]1CO ZINC000653783939 411170622 /nfs/dbraw/zinc/17/06/22/411170622.db2.gz YTZKUOPWVFZKQD-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCCC[C@H]1CO ZINC000653783939 411170625 /nfs/dbraw/zinc/17/06/25/411170625.db2.gz YTZKUOPWVFZKQD-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP COC1([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CCC1 ZINC000657936564 411173308 /nfs/dbraw/zinc/17/33/08/411173308.db2.gz GHIOLEIZOSNUPP-GFCCVEGCSA-N 2 1 238.375 1.796 20 0 BDADMP C(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCC1 ZINC000655754170 411183930 /nfs/dbraw/zinc/18/39/30/411183930.db2.gz LAPHFZGUIYGJOL-UONOGXRCSA-N 2 1 237.391 1.299 20 0 BDADMP C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CN1CCC1 ZINC000655754170 411183934 /nfs/dbraw/zinc/18/39/34/411183934.db2.gz LAPHFZGUIYGJOL-UONOGXRCSA-N 2 1 237.391 1.299 20 0 BDADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CN1CCC1 ZINC000655754170 411183936 /nfs/dbraw/zinc/18/39/36/411183936.db2.gz LAPHFZGUIYGJOL-UONOGXRCSA-N 2 1 237.391 1.299 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000133027754 411190909 /nfs/dbraw/zinc/19/09/09/411190909.db2.gz TZDNOADSPQMJKT-UHFFFAOYSA-N 2 1 234.343 1.363 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000656193033 411198488 /nfs/dbraw/zinc/19/84/88/411198488.db2.gz JEYROLRJAAZTRY-JHJVBQTASA-N 3 1 237.391 1.521 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656193170 411199568 /nfs/dbraw/zinc/19/95/68/411199568.db2.gz WMLWPNDCSVZRLX-KKOKHZNYSA-N 3 1 211.353 1.116 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656198201 411202909 /nfs/dbraw/zinc/20/29/09/411202909.db2.gz MOSHYDYODLHDLB-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656198201 411202913 /nfs/dbraw/zinc/20/29/13/411202913.db2.gz MOSHYDYODLHDLB-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656198201 411202915 /nfs/dbraw/zinc/20/29/15/411202915.db2.gz MOSHYDYODLHDLB-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000656200318 411204019 /nfs/dbraw/zinc/20/40/19/411204019.db2.gz LOXPBLHCRKHCGM-HIFRSBDPSA-N 2 1 247.386 1.971 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000656200317 411204479 /nfs/dbraw/zinc/20/44/79/411204479.db2.gz LOXPBLHCRKHCGM-DZGCQCFKSA-N 2 1 247.386 1.971 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1c[nH+]ccc1N ZINC000656199740 411204679 /nfs/dbraw/zinc/20/46/79/411204679.db2.gz BTWCENSWYDFZFS-SDDRHHMPSA-N 3 1 248.374 1.485 20 0 BDADMP C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@H]12)C1C[NH2+]C1 ZINC000656201458 411205845 /nfs/dbraw/zinc/20/58/45/411205845.db2.gz PKYZAKGYGITKMX-FPMFFAJLSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652340984 411205964 /nfs/dbraw/zinc/20/59/64/411205964.db2.gz RPZXHNFUOOJXEH-LBPRGKRZSA-N 2 1 248.374 1.390 20 0 BDADMP C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000656201461 411206627 /nfs/dbraw/zinc/20/66/27/411206627.db2.gz PKYZAKGYGITKMX-UBHSHLNASA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310188566 411219091 /nfs/dbraw/zinc/21/90/91/411219091.db2.gz YDZMSPGRBYXMAL-KBPBESRZSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000655682651 411223717 /nfs/dbraw/zinc/22/37/17/411223717.db2.gz IDQQSEDJPMWUCI-PWSUYJOCSA-N 2 1 228.405 1.954 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC000310215237 411225180 /nfs/dbraw/zinc/22/51/80/411225180.db2.gz DZIGCZBIAKMASS-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP C([NH2+]C(C1CC1)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000049237857 411229665 /nfs/dbraw/zinc/22/96/65/411229665.db2.gz ALBZHYJIRJZKGP-GFCCVEGCSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCC2)CC[N@@H+]1C ZINC000658086175 411235778 /nfs/dbraw/zinc/23/57/78/411235778.db2.gz FMUDUDJOWJTZFN-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCC2)CC[N@H+]1C ZINC000658086175 411235781 /nfs/dbraw/zinc/23/57/81/411235781.db2.gz FMUDUDJOWJTZFN-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP OC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000658085972 411236073 /nfs/dbraw/zinc/23/60/73/411236073.db2.gz FEBTYCRYDPIKOB-AWEZNQCLSA-N 2 1 238.375 1.364 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000310420120 411236239 /nfs/dbraw/zinc/23/62/39/411236239.db2.gz NXAKSRZTUTWUIY-JSGCOSHPSA-N 2 1 231.343 1.642 20 0 BDADMP CC1(C)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H]2CCCO[C@@H]21 ZINC000423193451 411237883 /nfs/dbraw/zinc/23/78/83/411237883.db2.gz QSULZDFQPKPGBW-LPWJVIDDSA-N 2 1 238.375 1.532 20 0 BDADMP Cc1nc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cs1 ZINC000423307181 411238785 /nfs/dbraw/zinc/23/87/85/411238785.db2.gz MTRKXYNYZYHRER-SFYZADRCSA-N 2 1 213.350 1.697 20 0 BDADMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138414 411263726 /nfs/dbraw/zinc/26/37/26/411263726.db2.gz MYIAUHSAVPGQEJ-HNNXBMFYSA-N 2 1 248.370 1.751 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)C2(CO)CC2)CC1 ZINC000658161846 411274799 /nfs/dbraw/zinc/27/47/99/411274799.db2.gz VIBDXIXIFCPREO-NSHDSACASA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]CCCCCn1cc(C[NH+]2CCCC2)nn1 ZINC000656452656 411275402 /nfs/dbraw/zinc/27/54/02/411275402.db2.gz MHBUPFCAOPVSMZ-UHFFFAOYSA-N 2 1 237.351 1.003 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402615146 411278955 /nfs/dbraw/zinc/27/89/55/411278955.db2.gz RELBGGXPHCCDBX-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000051890072 411285668 /nfs/dbraw/zinc/28/56/68/411285668.db2.gz UAIIAUXPCOZKKR-GFCCVEGCSA-N 2 1 222.307 1.867 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000656508690 411288922 /nfs/dbraw/zinc/28/89/22/411288922.db2.gz XNMHNRHQYFVSRK-LLVKDONJSA-N 2 1 238.379 1.046 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000401710710 411299118 /nfs/dbraw/zinc/29/91/18/411299118.db2.gz VMGNNXIKVSYAPZ-OCCSQVGLSA-N 2 1 218.344 1.817 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000401710283 411299207 /nfs/dbraw/zinc/29/92/07/411299207.db2.gz DHYQHBQXHPGFOZ-JQWIXIFHSA-N 2 1 212.337 1.001 20 0 BDADMP Cc1ccc(C)c(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000310066275 411322447 /nfs/dbraw/zinc/32/24/47/411322447.db2.gz KWAALUQYHRPNTC-UHFFFAOYSA-N 2 1 236.359 1.711 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701438 411325895 /nfs/dbraw/zinc/32/58/95/411325895.db2.gz XJIKJHSMIVAECJ-MJBXVCDLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701438 411325897 /nfs/dbraw/zinc/32/58/97/411325897.db2.gz XJIKJHSMIVAECJ-MJBXVCDLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701438 411325899 /nfs/dbraw/zinc/32/58/99/411325899.db2.gz XJIKJHSMIVAECJ-MJBXVCDLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701438 411325902 /nfs/dbraw/zinc/32/59/02/411325902.db2.gz XJIKJHSMIVAECJ-MJBXVCDLSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H](F)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655770980 411252669 /nfs/dbraw/zinc/25/26/69/411252669.db2.gz WFOOSLPDPMVTQE-DGCLKSJQSA-N 2 1 244.354 1.577 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(C)(C)N)CC[NH2+]1 ZINC000656784629 411361756 /nfs/dbraw/zinc/36/17/56/411361756.db2.gz FZVZDASOAUKABQ-GHMZBOCLSA-N 3 1 213.369 1.044 20 0 BDADMP C[C@@H]1C[C@H](CN(C)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000656784629 411361758 /nfs/dbraw/zinc/36/17/58/411361758.db2.gz FZVZDASOAUKABQ-GHMZBOCLSA-N 3 1 213.369 1.044 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000403858814 411362852 /nfs/dbraw/zinc/36/28/52/411362852.db2.gz YTJOVFMVBPSSFX-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000403858814 411362854 /nfs/dbraw/zinc/36/28/54/411362854.db2.gz YTJOVFMVBPSSFX-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000403858815 411363522 /nfs/dbraw/zinc/36/35/22/411363522.db2.gz YTJOVFMVBPSSFX-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000403858815 411363526 /nfs/dbraw/zinc/36/35/26/411363526.db2.gz YTJOVFMVBPSSFX-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1ccc(CCC[N@H+](C)CC(C)(C)[NH3+])cn1 ZINC000656786373 411365521 /nfs/dbraw/zinc/36/55/21/411365521.db2.gz YFZRZXBVJOXPOH-UHFFFAOYSA-N 3 1 235.375 1.992 20 0 BDADMP Cc1ccc(CCCN(C)CC(C)(C)[NH3+])cn1 ZINC000656786373 411365524 /nfs/dbraw/zinc/36/55/24/411365524.db2.gz YFZRZXBVJOXPOH-UHFFFAOYSA-N 3 1 235.375 1.992 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787038 411365761 /nfs/dbraw/zinc/36/57/61/411365761.db2.gz RUKJVHNPLRCKEM-AWEZNQCLSA-N 3 1 233.359 1.159 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cnc3cnccn23)CCCC1 ZINC000656788481 411366956 /nfs/dbraw/zinc/36/69/56/411366956.db2.gz RBIGOFBSZGEXPI-UHFFFAOYSA-N 2 1 245.330 1.090 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788062 411367660 /nfs/dbraw/zinc/36/76/60/411367660.db2.gz OJCXSGNNDNFXIM-MELADBBJSA-N 2 1 240.391 1.718 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788062 411367663 /nfs/dbraw/zinc/36/76/63/411367663.db2.gz OJCXSGNNDNFXIM-MELADBBJSA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000662159702 411369088 /nfs/dbraw/zinc/36/90/88/411369088.db2.gz CWHOVJGRRYYIRN-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000662159702 411369092 /nfs/dbraw/zinc/36/90/92/411369092.db2.gz CWHOVJGRRYYIRN-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000662159702 411369094 /nfs/dbraw/zinc/36/90/94/411369094.db2.gz CWHOVJGRRYYIRN-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000662159702 411369096 /nfs/dbraw/zinc/36/90/96/411369096.db2.gz CWHOVJGRRYYIRN-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000656790799 411371247 /nfs/dbraw/zinc/37/12/47/411371247.db2.gz ARLVBTCZGGQXHP-CRWXNKLISA-N 2 1 240.391 1.874 20 0 BDADMP c1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)CCO2 ZINC000063012738 411333636 /nfs/dbraw/zinc/33/36/36/411333636.db2.gz KWHCURYLKAYCFP-GFCCVEGCSA-N 2 1 232.327 1.491 20 0 BDADMP c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)CCO2 ZINC000063012738 411333640 /nfs/dbraw/zinc/33/36/40/411333640.db2.gz KWHCURYLKAYCFP-GFCCVEGCSA-N 2 1 232.327 1.491 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000656711501 411337513 /nfs/dbraw/zinc/33/75/13/411337513.db2.gz STXQZEUCGSDJGG-MNOVXSKESA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000656711501 411337515 /nfs/dbraw/zinc/33/75/15/411337515.db2.gz STXQZEUCGSDJGG-MNOVXSKESA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2ccn(C)n2)[C@@H]1CC[NH3+] ZINC000404364951 411391384 /nfs/dbraw/zinc/39/13/84/411391384.db2.gz GRHFWCIDMMAFPZ-DGCLKSJQSA-N 2 1 236.363 1.369 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@@H]1CC[NH3+] ZINC000404364951 411391387 /nfs/dbraw/zinc/39/13/87/411391387.db2.gz GRHFWCIDMMAFPZ-DGCLKSJQSA-N 2 1 236.363 1.369 20 0 BDADMP FC(F)CN1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000414865745 411455110 /nfs/dbraw/zinc/45/51/10/411455110.db2.gz LYPAMLWIIUDTOJ-NSHDSACASA-N 2 1 247.333 1.058 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000657308330 411457577 /nfs/dbraw/zinc/45/75/77/411457577.db2.gz ZLDKPKVDGYBSDE-OUCADQQQSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1c[nH]c(C[NH2+]CCCn2cc[nH+]c2C)n1 ZINC000657317472 411462517 /nfs/dbraw/zinc/46/25/17/411462517.db2.gz BMLNFJGRDDWKAO-UHFFFAOYSA-N 2 1 233.319 1.403 20 0 BDADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)CC[C@@H]1[NH3+] ZINC000122286060 411428704 /nfs/dbraw/zinc/42/87/04/411428704.db2.gz UFNQSYLQQQMIRM-TUAOUCFPSA-N 2 1 234.347 1.597 20 0 BDADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)CC[C@@H]1[NH3+] ZINC000122286060 411428706 /nfs/dbraw/zinc/42/87/06/411428706.db2.gz UFNQSYLQQQMIRM-TUAOUCFPSA-N 2 1 234.347 1.597 20 0 BDADMP N[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414661692 411438093 /nfs/dbraw/zinc/43/80/93/411438093.db2.gz XOGGTSYFYGGLLI-MJBXVCDLSA-N 2 1 216.328 1.823 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414661692 411438095 /nfs/dbraw/zinc/43/80/95/411438095.db2.gz XOGGTSYFYGGLLI-MJBXVCDLSA-N 2 1 216.328 1.823 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414661692 411438097 /nfs/dbraw/zinc/43/80/97/411438097.db2.gz XOGGTSYFYGGLLI-MJBXVCDLSA-N 2 1 216.328 1.823 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](C)(F)C2)CC[NH2+]1 ZINC000414755972 411442915 /nfs/dbraw/zinc/44/29/15/411442915.db2.gz IOJNFKVTLXEEGS-IJLUTSLNSA-N 2 1 214.328 1.808 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)C2(CN)CCC2)CC[NH2+]1 ZINC000414789442 411445952 /nfs/dbraw/zinc/44/59/52/411445952.db2.gz OJOMCCAJGSYOFL-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@@H](CN(C)C2(C[NH3+])CCC2)CC[NH2+]1 ZINC000414789442 411445954 /nfs/dbraw/zinc/44/59/54/411445954.db2.gz OJOMCCAJGSYOFL-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@@H](C)C1 ZINC000653642423 411452639 /nfs/dbraw/zinc/45/26/39/411452639.db2.gz DEPCMSIYKVXBCS-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@@H](C)C1 ZINC000653642423 411452642 /nfs/dbraw/zinc/45/26/42/411452642.db2.gz DEPCMSIYKVXBCS-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000653642423 411452646 /nfs/dbraw/zinc/45/26/46/411452646.db2.gz DEPCMSIYKVXBCS-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000653642423 411452647 /nfs/dbraw/zinc/45/26/47/411452647.db2.gz DEPCMSIYKVXBCS-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP Cc1c[nH]c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000657347459 411474081 /nfs/dbraw/zinc/47/40/81/411474081.db2.gz SIWXQBXDGHTVHD-SNVBAGLBSA-N 2 1 247.346 1.649 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657355397 411478513 /nfs/dbraw/zinc/47/85/13/411478513.db2.gz MIVHBIHLHFIPTJ-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657355397 411478514 /nfs/dbraw/zinc/47/85/14/411478514.db2.gz MIVHBIHLHFIPTJ-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP CCN1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655807112 411521757 /nfs/dbraw/zinc/52/17/57/411521757.db2.gz IUFWKTYSMKBMOJ-XBXGTLAGSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H](C[NH2+]Cc1cnn2c1CCC2)C[NH+](C)C ZINC000657472695 411523059 /nfs/dbraw/zinc/52/30/59/411523059.db2.gz YAFKREPVSDQLHY-LLVKDONJSA-N 2 1 236.363 1.117 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CC2)[C@H](C)C1 ZINC000655817258 411528377 /nfs/dbraw/zinc/52/83/77/411528377.db2.gz JYKIUYJNFXEBRB-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657483150 411529248 /nfs/dbraw/zinc/52/92/48/411529248.db2.gz KUFJLTWDULRXNI-ZVLQPQRZSA-N 2 1 238.375 1.769 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CO1 ZINC000657491138 411531523 /nfs/dbraw/zinc/53/15/23/411531523.db2.gz CGUIKWMHSPFDJX-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)cnn2C)C1 ZINC000352779230 170008623 /nfs/dbraw/zinc/00/86/23/170008623.db2.gz KQHDBPDBHOREPH-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)cnn2C)C1 ZINC000352779230 170008625 /nfs/dbraw/zinc/00/86/25/170008625.db2.gz KQHDBPDBHOREPH-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C)COC2)C[C@H]1C ZINC000336713675 170010716 /nfs/dbraw/zinc/01/07/16/170010716.db2.gz STKFNAXWAJJEOL-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C)COC2)C[C@H]1C ZINC000336713675 170010717 /nfs/dbraw/zinc/01/07/17/170010717.db2.gz STKFNAXWAJJEOL-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C)COC2)C[C@H]1C ZINC000336713675 170010718 /nfs/dbraw/zinc/01/07/18/170010718.db2.gz STKFNAXWAJJEOL-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037893975 170014889 /nfs/dbraw/zinc/01/48/89/170014889.db2.gz QWWPIXUZXRAJMW-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000044498819 170016574 /nfs/dbraw/zinc/01/65/74/170016574.db2.gz KWFUEKYMXSIHIN-NWDGAFQWSA-N 2 1 236.363 1.413 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCO)C[C@H]1C ZINC000336677383 170018077 /nfs/dbraw/zinc/01/80/77/170018077.db2.gz NSXMXWMKSTTZJL-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCO)C[C@H]1C ZINC000336677383 170018078 /nfs/dbraw/zinc/01/80/78/170018078.db2.gz NSXMXWMKSTTZJL-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCO)C[C@H]1C ZINC000336677383 170018079 /nfs/dbraw/zinc/01/80/79/170018079.db2.gz NSXMXWMKSTTZJL-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCOCC2CC2)[C@@H](C)C1 ZINC000358078095 170020508 /nfs/dbraw/zinc/02/05/08/170020508.db2.gz DKAOYPZVBUKNAP-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2C)[C@@H](C)C1 ZINC000358168929 170020904 /nfs/dbraw/zinc/02/09/04/170020904.db2.gz OIIOLGDOIKBMCO-GWCFXTLKSA-N 2 1 236.363 1.538 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2C)[C@@H](C)C1 ZINC000358168929 170020905 /nfs/dbraw/zinc/02/09/05/170020905.db2.gz OIIOLGDOIKBMCO-GWCFXTLKSA-N 2 1 236.363 1.538 20 0 BDADMP CCNC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000052041130 170041637 /nfs/dbraw/zinc/04/16/37/170041637.db2.gz RYUISTUVWQYTJO-UHFFFAOYSA-N 2 1 248.374 1.642 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000657530601 411544100 /nfs/dbraw/zinc/54/41/00/411544100.db2.gz LQKXCTGPNSVADY-LBPRGKRZSA-N 2 1 249.358 1.805 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2nccn2C)CC1 ZINC000113656034 170112154 /nfs/dbraw/zinc/11/21/54/170112154.db2.gz QEULZWIPARKTFU-UHFFFAOYSA-N 2 1 236.363 1.242 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H](C)C1 ZINC000660310610 411566984 /nfs/dbraw/zinc/56/69/84/411566984.db2.gz OUGNRKKVIPUIBY-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000660310610 411566986 /nfs/dbraw/zinc/56/69/86/411566986.db2.gz OUGNRKKVIPUIBY-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000660310610 411566988 /nfs/dbraw/zinc/56/69/88/411566988.db2.gz OUGNRKKVIPUIBY-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+]1CCC([NH2+]CCCOC(C)(C)C)CC1 ZINC000657637636 411567797 /nfs/dbraw/zinc/56/77/97/411567797.db2.gz LBJLFMLPFHTLAT-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657611180 411563219 /nfs/dbraw/zinc/56/32/19/411563219.db2.gz KSEZDVZKHZGETA-XUXIUFHCSA-N 2 1 238.375 1.770 20 0 BDADMP C[NH+]1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000657619304 411565100 /nfs/dbraw/zinc/56/51/00/411565100.db2.gz UVYAEMULVADTMC-JTQLQIEISA-N 2 1 234.290 1.094 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000343926447 170352638 /nfs/dbraw/zinc/35/26/38/170352638.db2.gz IZSRVRLMSYLRBF-CHWSQXEVSA-N 2 1 242.407 1.979 20 0 BDADMP CCOCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121869782 170374274 /nfs/dbraw/zinc/37/42/74/170374274.db2.gz ORVICWBLGQONKC-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339439473 170375242 /nfs/dbraw/zinc/37/52/42/170375242.db2.gz KJDGACFNCOEOMT-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339439473 170375244 /nfs/dbraw/zinc/37/52/44/170375244.db2.gz KJDGACFNCOEOMT-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339439473 170375246 /nfs/dbraw/zinc/37/52/46/170375246.db2.gz KJDGACFNCOEOMT-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000119844200 170388268 /nfs/dbraw/zinc/38/82/68/170388268.db2.gz LZJYCTBJJSEESQ-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP CCOCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000119844200 170388270 /nfs/dbraw/zinc/38/82/70/170388270.db2.gz LZJYCTBJJSEESQ-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP CCOCC[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000082537242 170395142 /nfs/dbraw/zinc/39/51/42/170395142.db2.gz SDUAPPGKUHHESY-UHFFFAOYSA-N 2 1 214.353 1.344 20 0 BDADMP CCOCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063195298 170397442 /nfs/dbraw/zinc/39/74/42/170397442.db2.gz PPAFFHSLSCRNGJ-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063195298 170397444 /nfs/dbraw/zinc/39/74/44/170397444.db2.gz PPAFFHSLSCRNGJ-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000660781012 411629156 /nfs/dbraw/zinc/62/91/56/411629156.db2.gz QQRBBCCPPSYAPZ-RFGFWPKPSA-N 2 1 240.391 1.466 20 0 BDADMP CCOC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119708800 170444974 /nfs/dbraw/zinc/44/49/74/170444974.db2.gz JPGRGKVTXDJNGK-NSHDSACASA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657875219 411615349 /nfs/dbraw/zinc/61/53/49/411615349.db2.gz BSXGDUJZVXAMHD-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000133314635 411709670 /nfs/dbraw/zinc/70/96/70/411709670.db2.gz JKWDHHMRJMFKQF-YPMHNXCESA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000133314635 411709673 /nfs/dbraw/zinc/70/96/73/411709673.db2.gz JKWDHHMRJMFKQF-YPMHNXCESA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2=CCSC2)CC[NH2+]1 ZINC000663506239 411688233 /nfs/dbraw/zinc/68/82/33/411688233.db2.gz KPLVPXJUJLOLJM-VXGBXAGGSA-N 2 1 240.416 1.980 20 0 BDADMP c1cc2c(cc[nH+]c2N2CC[N@H+]3CCC[C@H]3C2)[nH]1 ZINC000663567341 411702252 /nfs/dbraw/zinc/70/22/52/411702252.db2.gz XXZGPTVQZKIVDJ-NSHDSACASA-N 2 1 242.326 1.847 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661699681 411844929 /nfs/dbraw/zinc/84/49/29/411844929.db2.gz DSYTYWJEVIIYDR-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP Cc1cc(NCC[C@@H](C)[NH+](C)C)nc(C)[nH+]1 ZINC000664243196 411894684 /nfs/dbraw/zinc/89/46/84/411894684.db2.gz JPLWLRFCWINFCH-SNVBAGLBSA-N 2 1 222.336 1.846 20 0 BDADMP O[C@H]1CC[N@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC000662149046 412008983 /nfs/dbraw/zinc/00/89/83/412008983.db2.gz MUUWRTHHANIYQG-AWEZNQCLSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCC3CC3)CC2)C1 ZINC000662152613 412009098 /nfs/dbraw/zinc/00/90/98/412009098.db2.gz VRHIPBOYRVHONI-CQSZACIVSA-N 2 1 238.375 1.318 20 0 BDADMP CCCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152401 412009835 /nfs/dbraw/zinc/00/98/35/412009835.db2.gz UHXXMIMCCHRMLJ-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662243924 412039027 /nfs/dbraw/zinc/03/90/27/412039027.db2.gz DINHJWUPBZSFKB-AXFHLTTASA-N 2 1 248.317 1.470 20 0 BDADMP Cc1nnc([C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)[nH]1 ZINC000662246708 412042662 /nfs/dbraw/zinc/04/26/62/412042662.db2.gz QJJDKKBQFNQDRB-DTWKUNHWSA-N 2 1 237.351 1.233 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cc(C)nc(C)n2)CC[C@@H]1[NH3+] ZINC000662270135 412059925 /nfs/dbraw/zinc/05/99/25/412059925.db2.gz IMLHAGDYBADSTR-OCCSQVGLSA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cc(C)nc(C)n2)CC[C@@H]1[NH3+] ZINC000662270135 412059927 /nfs/dbraw/zinc/05/99/27/412059927.db2.gz IMLHAGDYBADSTR-OCCSQVGLSA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253477 412048357 /nfs/dbraw/zinc/04/83/57/412048357.db2.gz WGZCHNKODHACDB-WDEREUQCSA-N 2 1 212.337 1.238 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C ZINC000662251361 412048447 /nfs/dbraw/zinc/04/84/47/412048447.db2.gz AQGXYACFTBBASM-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252091 412049843 /nfs/dbraw/zinc/04/98/43/412049843.db2.gz JTJNUTCGQPFBRA-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)nc(C)n1 ZINC000662266388 412057677 /nfs/dbraw/zinc/05/76/77/412057677.db2.gz XJMOYIYDFYDFNS-PWSUYJOCSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)nc(C)n1 ZINC000662266388 412057681 /nfs/dbraw/zinc/05/76/81/412057681.db2.gz XJMOYIYDFYDFNS-PWSUYJOCSA-N 2 1 234.347 1.263 20 0 BDADMP CC[C@@H]1C[N@H+](CC(C)(C)[NH3+])CCS1 ZINC000220375704 171076180 /nfs/dbraw/zinc/07/61/80/171076180.db2.gz AHJOSACHULGTBM-SECBINFHSA-N 2 1 202.367 1.551 20 0 BDADMP CC[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CCS1 ZINC000220375704 171076182 /nfs/dbraw/zinc/07/61/82/171076182.db2.gz AHJOSACHULGTBM-SECBINFHSA-N 2 1 202.367 1.551 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)C[C@H]1O ZINC000338281808 171080927 /nfs/dbraw/zinc/08/09/27/171080927.db2.gz UUERCYVASRXGTR-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)C[C@@H]1O ZINC000338281810 171082231 /nfs/dbraw/zinc/08/22/31/171082231.db2.gz UUERCYVASRXGTR-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000341009147 171084346 /nfs/dbraw/zinc/08/43/46/171084346.db2.gz LMEPQFPIKUKNOE-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000341009147 171084347 /nfs/dbraw/zinc/08/43/47/171084347.db2.gz LMEPQFPIKUKNOE-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000341009147 171084349 /nfs/dbraw/zinc/08/43/49/171084349.db2.gz LMEPQFPIKUKNOE-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000662273551 412064934 /nfs/dbraw/zinc/06/49/34/412064934.db2.gz OELRZWOYUVFJQP-MELADBBJSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC[C@H]1[NH3+] ZINC000662273646 412065839 /nfs/dbraw/zinc/06/58/39/412065839.db2.gz XHSDJOFSGRZNER-GMTAPVOTSA-N 2 1 248.317 1.470 20 0 BDADMP CC[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CC[C@H]1[NH3+] ZINC000662273646 412065842 /nfs/dbraw/zinc/06/58/42/412065842.db2.gz XHSDJOFSGRZNER-GMTAPVOTSA-N 2 1 248.317 1.470 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000662280176 412071020 /nfs/dbraw/zinc/07/10/20/412071020.db2.gz DDQOICPYGXAGEG-RKQHYHRCSA-N 2 1 222.376 1.949 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662279835 412071091 /nfs/dbraw/zinc/07/10/91/412071091.db2.gz MEYDOFZTHBUCHI-UPJWGTAASA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335918560 171179527 /nfs/dbraw/zinc/17/95/27/171179527.db2.gz ZLPHDWKELSQZAS-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335918560 171179529 /nfs/dbraw/zinc/17/95/29/171179529.db2.gz ZLPHDWKELSQZAS-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335918560 171179533 /nfs/dbraw/zinc/17/95/33/171179533.db2.gz ZLPHDWKELSQZAS-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@](C)(O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185190920 171184253 /nfs/dbraw/zinc/18/42/53/171184253.db2.gz KPZQVPDCCJVYOM-CYBMUJFWSA-N 2 1 237.347 1.398 20 0 BDADMP CC[C@H](C)C[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402051 171274345 /nfs/dbraw/zinc/27/43/45/171274345.db2.gz TZRPQCARGPTRFO-VIFPVBQESA-N 2 1 240.351 1.741 20 0 BDADMP CC[C@H](C)C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402051 171274346 /nfs/dbraw/zinc/27/43/46/171274346.db2.gz TZRPQCARGPTRFO-VIFPVBQESA-N 2 1 240.351 1.741 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCC=C(C)C)C[C@H]1C[NH3+] ZINC000662285302 412076407 /nfs/dbraw/zinc/07/64/07/412076407.db2.gz JGOGPWZVAPBDTG-CHWSQXEVSA-N 2 1 226.364 1.638 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)on1 ZINC000662294020 412082717 /nfs/dbraw/zinc/08/27/17/412082717.db2.gz AECUZBFCDHBZFG-CYBMUJFWSA-N 2 1 249.358 1.886 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336681282 171305629 /nfs/dbraw/zinc/30/56/29/171305629.db2.gz YBFXXNCMRKOWLV-STQMWFEESA-N 3 1 229.412 1.824 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336681282 171305630 /nfs/dbraw/zinc/30/56/30/171305630.db2.gz YBFXXNCMRKOWLV-STQMWFEESA-N 3 1 229.412 1.824 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCOCC1 ZINC000300358573 171308770 /nfs/dbraw/zinc/30/87/70/171308770.db2.gz IOXYXEXQDQXYBQ-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCOCC1 ZINC000300358573 171308772 /nfs/dbraw/zinc/30/87/72/171308772.db2.gz IOXYXEXQDQXYBQ-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C)[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000336659126 171313106 /nfs/dbraw/zinc/31/31/06/171313106.db2.gz MTLSJBGQQAEFGF-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000336659126 171313107 /nfs/dbraw/zinc/31/31/07/171313107.db2.gz MTLSJBGQQAEFGF-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000336659126 171313108 /nfs/dbraw/zinc/31/31/08/171313108.db2.gz MTLSJBGQQAEFGF-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662290192 412079935 /nfs/dbraw/zinc/07/99/35/412079935.db2.gz MSBCVIWVCLKBIG-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+](CCCOCC(F)(F)F)CC(C)(C)[NH3+] ZINC000662293434 412081172 /nfs/dbraw/zinc/08/11/72/412081172.db2.gz REUSTAWBZKITHG-UHFFFAOYSA-N 2 1 242.285 1.625 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276646447 171364404 /nfs/dbraw/zinc/36/44/04/171364404.db2.gz LRKXHMQRCWUHNM-WDEREUQCSA-N 2 1 209.337 1.987 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336666691 171364863 /nfs/dbraw/zinc/36/48/63/171364863.db2.gz QAGKBFPMKLCNTA-DMDPSCGWSA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336666691 171364865 /nfs/dbraw/zinc/36/48/65/171364865.db2.gz QAGKBFPMKLCNTA-DMDPSCGWSA-N 2 1 228.380 1.466 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC2CC1(C)C2 ZINC000662385596 412138186 /nfs/dbraw/zinc/13/81/86/412138186.db2.gz XQRDOBYRRZNOHO-CPCZMJQVSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2CC1(C)C2 ZINC000662385596 412138189 /nfs/dbraw/zinc/13/81/89/412138189.db2.gz XQRDOBYRRZNOHO-CPCZMJQVSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC2CC1(C)C2 ZINC000662385596 412138192 /nfs/dbraw/zinc/13/81/92/412138192.db2.gz XQRDOBYRRZNOHO-CPCZMJQVSA-N 2 1 208.349 1.955 20 0 BDADMP OCC[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662299769 412087208 /nfs/dbraw/zinc/08/72/08/412087208.db2.gz XAUMSMUGWZQIFP-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP OCC[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662299774 412087540 /nfs/dbraw/zinc/08/75/40/412087540.db2.gz XAUMSMUGWZQIFP-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662303317 412088310 /nfs/dbraw/zinc/08/83/10/412088310.db2.gz VXSWZRCFZRJPRO-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000662305882 412090154 /nfs/dbraw/zinc/09/01/54/412090154.db2.gz NKCNRNCYPUGPCQ-UHFFFAOYSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CCCC1CC[NH2+]CC1 ZINC000662305882 412090157 /nfs/dbraw/zinc/09/01/57/412090157.db2.gz NKCNRNCYPUGPCQ-UHFFFAOYSA-N 3 1 237.391 1.189 20 0 BDADMP NCC12CC(C1)C[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000662305882 412090160 /nfs/dbraw/zinc/09/01/60/412090160.db2.gz NKCNRNCYPUGPCQ-UHFFFAOYSA-N 2 1 237.391 1.189 20 0 BDADMP NCC12CC(C1)C[N@H+]2CCCC1CC[NH2+]CC1 ZINC000662305882 412090162 /nfs/dbraw/zinc/09/01/62/412090162.db2.gz NKCNRNCYPUGPCQ-UHFFFAOYSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662307234 412092670 /nfs/dbraw/zinc/09/26/70/412092670.db2.gz XNXUQCROKPHJIW-HUEPFSFMSA-N 2 1 220.360 1.846 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CCC1 ZINC000662314303 412095851 /nfs/dbraw/zinc/09/58/51/412095851.db2.gz DNKZXBJSXMHZAY-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CCC1 ZINC000662314303 412095853 /nfs/dbraw/zinc/09/58/53/412095853.db2.gz DNKZXBJSXMHZAY-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316174 412096720 /nfs/dbraw/zinc/09/67/20/412096720.db2.gz VWUGIPSXDAATMS-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CC1(C)C ZINC000662331684 412104511 /nfs/dbraw/zinc/10/45/11/412104511.db2.gz PVMPPOLGLKAPES-VXGBXAGGSA-N 2 1 210.365 1.964 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CC1(C)C ZINC000662331680 412104541 /nfs/dbraw/zinc/10/45/41/412104541.db2.gz PVMPPOLGLKAPES-NWDGAFQWSA-N 2 1 210.365 1.964 20 0 BDADMP [NH3+]CCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327353 412105357 /nfs/dbraw/zinc/10/53/57/412105357.db2.gz OHBSMDFBOMIMJV-BETUJISGSA-N 2 1 224.348 1.228 20 0 BDADMP C[C@]1(C(F)F)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000662336492 412107252 /nfs/dbraw/zinc/10/72/52/412107252.db2.gz YBTBAVBPECEQPT-ZYHUDNBSSA-N 2 1 248.317 1.342 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000665236749 412175825 /nfs/dbraw/zinc/17/58/25/412175825.db2.gz SSXZJOXHKBCWBI-FRRDWIJNSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665244295 412187200 /nfs/dbraw/zinc/18/72/00/412187200.db2.gz KJDGRIDZKGZFKP-KXUCPTDWSA-N 2 1 234.290 1.141 20 0 BDADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665246828 412191397 /nfs/dbraw/zinc/19/13/97/412191397.db2.gz OZZYPNGVAFQBEK-LBPRGKRZSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@@H]1C[C@H](NCC2([NH3+])CCCC2)C[N@H+]1C1CC1 ZINC000665249408 412195366 /nfs/dbraw/zinc/19/53/66/412195366.db2.gz PUCQQAYLHZREKF-NEPJUHHUSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)CN1C1CC1 ZINC000665249408 412195369 /nfs/dbraw/zinc/19/53/69/412195369.db2.gz PUCQQAYLHZREKF-NEPJUHHUSA-N 2 1 237.391 1.473 20 0 BDADMP CCC[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000665274719 412217037 /nfs/dbraw/zinc/21/70/37/412217037.db2.gz XAVLTGVQIYATHJ-WJLOJVBCSA-N 2 1 237.391 1.343 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000665276101 412219947 /nfs/dbraw/zinc/21/99/47/412219947.db2.gz YLLVSYYIUMVANU-KWCYVHTRSA-N 2 1 240.391 1.922 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665277833 412220454 /nfs/dbraw/zinc/22/04/54/412220454.db2.gz MWALQCFAGGWEMA-CBKZZEEASA-N 2 1 238.375 1.532 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cnccn1 ZINC000665280924 412226960 /nfs/dbraw/zinc/22/69/60/412226960.db2.gz PIKBQBGFBWFGEP-WDEREUQCSA-N 2 1 222.336 1.501 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000665294563 412241327 /nfs/dbraw/zinc/24/13/27/412241327.db2.gz RAQMDDVOBOXHGA-GHMZBOCLSA-N 2 1 210.321 1.798 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH2+]C)C1(C)C ZINC000665296026 412243293 /nfs/dbraw/zinc/24/32/93/412243293.db2.gz MAYCQMZBDIROTR-GARJFASQSA-N 2 1 214.353 1.388 20 0 BDADMP CCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000322843941 172171092 /nfs/dbraw/zinc/17/10/92/172171092.db2.gz LTDBNXQZNHJMQC-AGUYFDCRSA-N 2 1 248.374 1.618 20 0 BDADMP CCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000322843941 172171093 /nfs/dbraw/zinc/17/10/93/172171093.db2.gz LTDBNXQZNHJMQC-AGUYFDCRSA-N 2 1 248.374 1.618 20 0 BDADMP CCn1cc(CNC[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000050539578 172172254 /nfs/dbraw/zinc/17/22/54/172172254.db2.gz WKZVPVFBWFJVJC-GFCCVEGCSA-N 2 1 248.374 1.477 20 0 BDADMP CCn1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000050539578 172172256 /nfs/dbraw/zinc/17/22/56/172172256.db2.gz WKZVPVFBWFJVJC-GFCCVEGCSA-N 2 1 248.374 1.477 20 0 BDADMP CCn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000050539578 172172257 /nfs/dbraw/zinc/17/22/57/172172257.db2.gz WKZVPVFBWFJVJC-GFCCVEGCSA-N 2 1 248.374 1.477 20 0 BDADMP CCn1cncc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000309774824 172234081 /nfs/dbraw/zinc/23/40/81/172234081.db2.gz PKODYSRTUGZNAV-LLVKDONJSA-N 2 1 224.352 1.190 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000335681849 173004081 /nfs/dbraw/zinc/00/40/81/173004081.db2.gz QNYUVEXMGQYKIH-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000335681849 173004083 /nfs/dbraw/zinc/00/40/83/173004083.db2.gz QNYUVEXMGQYKIH-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000335681849 173004086 /nfs/dbraw/zinc/00/40/86/173004086.db2.gz QNYUVEXMGQYKIH-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](O)CC1 ZINC000334245610 173006593 /nfs/dbraw/zinc/00/65/93/173006593.db2.gz SYCVIMHDAYTLJG-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](O)CC1 ZINC000334245610 173006595 /nfs/dbraw/zinc/00/65/95/173006595.db2.gz SYCVIMHDAYTLJG-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](O)CC1 ZINC000334245610 173006598 /nfs/dbraw/zinc/00/65/98/173006598.db2.gz SYCVIMHDAYTLJG-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H](CO)C1 ZINC000372880297 173027128 /nfs/dbraw/zinc/02/71/28/173027128.db2.gz KUYRQVZDYORSQP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000372880297 173027129 /nfs/dbraw/zinc/02/71/29/173027129.db2.gz KUYRQVZDYORSQP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H](CO)C1 ZINC000372880297 173027130 /nfs/dbraw/zinc/02/71/30/173027130.db2.gz KUYRQVZDYORSQP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]2OCC[C@H]21 ZINC000369783650 173028023 /nfs/dbraw/zinc/02/80/23/173028023.db2.gz KDDLOQPYOAMFOA-MGPQQGTHSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369783650 173028026 /nfs/dbraw/zinc/02/80/26/173028026.db2.gz KDDLOQPYOAMFOA-MGPQQGTHSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369783650 173028028 /nfs/dbraw/zinc/02/80/28/173028028.db2.gz KDDLOQPYOAMFOA-MGPQQGTHSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]12CCOC2 ZINC000341977898 173028305 /nfs/dbraw/zinc/02/83/05/173028305.db2.gz WRFVLKWOLIHLJA-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]12CCOC2 ZINC000341977898 173028306 /nfs/dbraw/zinc/02/83/06/173028306.db2.gz WRFVLKWOLIHLJA-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]12CCOC2 ZINC000341977898 173028310 /nfs/dbraw/zinc/02/83/10/173028310.db2.gz WRFVLKWOLIHLJA-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000336712385 173036315 /nfs/dbraw/zinc/03/63/15/173036315.db2.gz RWSBANOOBFVENB-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000336712385 173036316 /nfs/dbraw/zinc/03/63/16/173036316.db2.gz RWSBANOOBFVENB-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000336712385 173036318 /nfs/dbraw/zinc/03/63/18/173036318.db2.gz RWSBANOOBFVENB-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)O)CC[C@@H]21 ZINC000129155897 173037189 /nfs/dbraw/zinc/03/71/89/173037189.db2.gz MIVWTGCJAXXQQG-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000129155897 173037191 /nfs/dbraw/zinc/03/71/91/173037191.db2.gz MIVWTGCJAXXQQG-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000129155897 173037192 /nfs/dbraw/zinc/03/71/92/173037192.db2.gz MIVWTGCJAXXQQG-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)C(C)(C)C ZINC000309555870 173052920 /nfs/dbraw/zinc/05/29/20/173052920.db2.gz JQRFOFSOCJEKHK-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000041300013 173083090 /nfs/dbraw/zinc/08/30/90/173083090.db2.gz JSBSJNIKDPZHHP-UHFFFAOYSA-N 2 1 247.386 1.366 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484627 173146721 /nfs/dbraw/zinc/14/67/21/173146721.db2.gz CVVQDPHRRJZZGI-NXEZZACHSA-N 2 1 200.351 1.033 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@@H]2CCC[C@H]21 ZINC000368617012 173151463 /nfs/dbraw/zinc/15/14/63/173151463.db2.gz VUAVEKQNAIITDW-RWMBFGLXSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@@H]2CCC[C@@H]21 ZINC000368616482 173152803 /nfs/dbraw/zinc/15/28/03/173152803.db2.gz SZRJXOICMFQJPW-AVGNSLFASA-N 2 1 238.375 1.364 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H]2CCC[C@@H]21 ZINC000353393276 173153290 /nfs/dbraw/zinc/15/32/90/173153290.db2.gz IMXIESDUTQLIEH-XUXIUFHCSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@@H]2CCC[C@@H]21 ZINC000336774437 173154610 /nfs/dbraw/zinc/15/46/10/173154610.db2.gz WWPSURAKULBHPX-VOAKCMCISA-N 2 1 240.416 1.954 20 0 BDADMP C[NH2+]C1CC[NH+](CCCOC(C)C)CC1 ZINC000336721589 173322702 /nfs/dbraw/zinc/32/27/02/173322702.db2.gz ZWNRONKTOKTMSR-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000336693362 173347422 /nfs/dbraw/zinc/34/74/22/173347422.db2.gz LBWPUMHKLNHECW-LBPRGKRZSA-N 2 1 214.353 1.343 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC000250754915 173368748 /nfs/dbraw/zinc/36/87/48/173368748.db2.gz PWORWZZUJUJVOV-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000250754915 173368749 /nfs/dbraw/zinc/36/87/49/173368749.db2.gz PWORWZZUJUJVOV-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000226632228 173370877 /nfs/dbraw/zinc/37/08/77/173370877.db2.gz QPJZETUXYTXIAM-RYUDHWBXSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000226632228 173370878 /nfs/dbraw/zinc/37/08/78/173370878.db2.gz QPJZETUXYTXIAM-RYUDHWBXSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000053033303 173381391 /nfs/dbraw/zinc/38/13/91/173381391.db2.gz GCKASEVKXGRYHN-CQSZACIVSA-N 2 1 248.370 1.915 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000053031100 173382097 /nfs/dbraw/zinc/38/20/97/173382097.db2.gz SZAHDEIIOKEJJQ-NWDGAFQWSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000053031100 173382098 /nfs/dbraw/zinc/38/20/98/173382098.db2.gz SZAHDEIIOKEJJQ-NWDGAFQWSA-N 2 1 219.332 1.684 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@]2(C)CCCO2)C1 ZINC000401643064 487628055 /nfs/dbraw/zinc/62/80/55/487628055.db2.gz JGKQCTPFIVQNJN-SDDRHHMPSA-N 2 1 212.337 1.143 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000309610229 174072881 /nfs/dbraw/zinc/07/28/81/174072881.db2.gz ZSXKMVAIPPWYMF-GFCCVEGCSA-N 2 1 228.380 1.589 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000353257920 174074640 /nfs/dbraw/zinc/07/46/40/174074640.db2.gz YWYVNWXBLALUBQ-SNVBAGLBSA-N 2 1 237.347 1.529 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336651016 174075313 /nfs/dbraw/zinc/07/53/13/174075313.db2.gz HUCJJMIUJGEALW-NWDGAFQWSA-N 2 1 228.380 1.731 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336762509 174076101 /nfs/dbraw/zinc/07/61/01/174076101.db2.gz LKJTWSKSEZLPAL-NEPJUHHUSA-N 2 1 228.380 1.589 20 0 BDADMP COCC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000069633131 174120015 /nfs/dbraw/zinc/12/00/15/174120015.db2.gz CLUBVNJMWOQUHF-ZDUSSCGKSA-N 2 1 228.380 1.718 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342080677 174179698 /nfs/dbraw/zinc/17/96/98/174179698.db2.gz GVIMLHGYJCDIPD-MJBXVCDLSA-N 2 1 240.391 1.862 20 0 BDADMP COCCCCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000309515939 174184692 /nfs/dbraw/zinc/18/46/92/174184692.db2.gz YQXKSHVZXOHSPV-GFCCVEGCSA-N 2 1 216.369 1.766 20 0 BDADMP COCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000308879078 174193345 /nfs/dbraw/zinc/19/33/45/174193345.db2.gz VCAQHYOAZOMNBS-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@]2(C)CCCO2)C1 ZINC000401643066 487628183 /nfs/dbraw/zinc/62/81/83/487628183.db2.gz JGKQCTPFIVQNJN-SRVKXCTJSA-N 2 1 212.337 1.143 20 0 BDADMP COCCC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336774391 174260532 /nfs/dbraw/zinc/26/05/32/174260532.db2.gz WUHZGMBOHBQKHE-GFCCVEGCSA-N 2 1 226.364 1.653 20 0 BDADMP COCC[N@@H+](C)CCCNc1cccc(C)[nH+]1 ZINC000189428382 174275246 /nfs/dbraw/zinc/27/52/46/174275246.db2.gz TUKKLSZIUFWQCO-UHFFFAOYSA-N 2 1 237.347 1.770 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000119542827 174275271 /nfs/dbraw/zinc/27/52/71/174275271.db2.gz ZYTQZYGWDXEREQ-CQSZACIVSA-N 2 1 240.391 1.901 20 0 BDADMP COCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000042519628 174297873 /nfs/dbraw/zinc/29/78/73/174297873.db2.gz SAABRLOMWUWUQQ-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000042519627 174298366 /nfs/dbraw/zinc/29/83/66/174298366.db2.gz SAABRLOMWUWUQQ-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC[C@@H](C)OC)CC1 ZINC000360155116 174304892 /nfs/dbraw/zinc/30/48/92/174304892.db2.gz KOJSWJXUHFEYSU-GFCCVEGCSA-N 2 1 244.379 1.112 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC2(C)CC2)CC1 ZINC000309932449 174305141 /nfs/dbraw/zinc/30/51/41/174305141.db2.gz YPSLCOQODHZGOG-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP COCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834860 174313665 /nfs/dbraw/zinc/31/36/65/174313665.db2.gz KSBYXGBGLKGLHD-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)C1(C)C ZINC000300629691 174904939 /nfs/dbraw/zinc/90/49/39/174904939.db2.gz IOGDPYYBAHTWPP-NEPJUHHUSA-N 2 1 237.347 1.595 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)CCC[NH3+])c1C ZINC000019844410 174925719 /nfs/dbraw/zinc/92/57/19/174925719.db2.gz BPVYESVAXXGNRV-UHFFFAOYSA-N 2 1 237.347 1.488 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1C ZINC000050597700 175102424 /nfs/dbraw/zinc/10/24/24/175102424.db2.gz DUVGOYJOFVSSPC-ZDUSSCGKSA-N 2 1 234.343 1.784 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000373913531 176029966 /nfs/dbraw/zinc/02/99/66/176029966.db2.gz UTMPBHYWJSKLIA-FPMFFAJLSA-N 2 1 231.343 1.636 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000373913531 176029967 /nfs/dbraw/zinc/02/99/67/176029967.db2.gz UTMPBHYWJSKLIA-FPMFFAJLSA-N 2 1 231.343 1.636 20 0 BDADMP C[C@@H](c1cccnc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000373913531 176029969 /nfs/dbraw/zinc/02/99/69/176029969.db2.gz UTMPBHYWJSKLIA-FPMFFAJLSA-N 2 1 231.343 1.636 20 0 BDADMP C[C@@H](c1cccnc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000373913531 176029970 /nfs/dbraw/zinc/02/99/70/176029970.db2.gz UTMPBHYWJSKLIA-FPMFFAJLSA-N 2 1 231.343 1.636 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1CN ZINC000359209686 176098045 /nfs/dbraw/zinc/09/80/45/176098045.db2.gz DFIYGYWQIBNRAC-OCCSQVGLSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CCC2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000359209686 176098048 /nfs/dbraw/zinc/09/80/48/176098048.db2.gz DFIYGYWQIBNRAC-OCCSQVGLSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000309786565 176123218 /nfs/dbraw/zinc/12/32/18/176123218.db2.gz OFOFRRBAKJGJPX-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000309786565 176123219 /nfs/dbraw/zinc/12/32/19/176123219.db2.gz OFOFRRBAKJGJPX-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000328157911 176135133 /nfs/dbraw/zinc/13/51/33/176135133.db2.gz HGALIYHYRKALJA-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1O ZINC000305759222 176169636 /nfs/dbraw/zinc/16/96/36/176169636.db2.gz HXJOSSJQEBXCHT-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000305759222 176169637 /nfs/dbraw/zinc/16/96/37/176169637.db2.gz HXJOSSJQEBXCHT-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000305759222 176169638 /nfs/dbraw/zinc/16/96/38/176169638.db2.gz HXJOSSJQEBXCHT-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000163460125 176175226 /nfs/dbraw/zinc/17/52/26/176175226.db2.gz GUKHCDKCVBEHKE-YPMHNXCESA-N 2 1 234.343 1.809 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000375003016 176188534 /nfs/dbraw/zinc/18/85/34/176188534.db2.gz DWUCKKNLAWQXKB-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CCOCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000375003016 176188536 /nfs/dbraw/zinc/18/85/36/176188536.db2.gz DWUCKKNLAWQXKB-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CCOCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000375003016 176188537 /nfs/dbraw/zinc/18/85/37/176188537.db2.gz DWUCKKNLAWQXKB-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336693689 176197679 /nfs/dbraw/zinc/19/76/79/176197679.db2.gz HZHNBXCIFLHXOL-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336693689 176197680 /nfs/dbraw/zinc/19/76/80/176197680.db2.gz HZHNBXCIFLHXOL-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336693689 176197681 /nfs/dbraw/zinc/19/76/81/176197681.db2.gz HZHNBXCIFLHXOL-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336693689 176197682 /nfs/dbraw/zinc/19/76/82/176197682.db2.gz HZHNBXCIFLHXOL-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000336777254 176268741 /nfs/dbraw/zinc/26/87/41/176268741.db2.gz HUUICFRUQUERKZ-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000309816612 176269152 /nfs/dbraw/zinc/26/91/52/176269152.db2.gz VJORELOFYKOHML-ZJUUUORDSA-N 2 1 236.306 1.198 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccncc1 ZINC000275606633 176269542 /nfs/dbraw/zinc/26/95/42/176269542.db2.gz LEIRKQCZMLRRNA-TZMCWYRMSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccncc1 ZINC000275606633 176269540 /nfs/dbraw/zinc/26/95/40/176269540.db2.gz LEIRKQCZMLRRNA-TZMCWYRMSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000275606633 176269543 /nfs/dbraw/zinc/26/95/43/176269543.db2.gz LEIRKQCZMLRRNA-TZMCWYRMSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000275606633 176269546 /nfs/dbraw/zinc/26/95/46/176269546.db2.gz LEIRKQCZMLRRNA-TZMCWYRMSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000361969901 176270439 /nfs/dbraw/zinc/27/04/39/176270439.db2.gz DNCXQFAJILYODV-KGYLQXTDSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000361969901 176270441 /nfs/dbraw/zinc/27/04/41/176270441.db2.gz DNCXQFAJILYODV-KGYLQXTDSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000359945964 176275044 /nfs/dbraw/zinc/27/50/44/176275044.db2.gz YVWUUPNZZJMQQN-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000359945964 176275045 /nfs/dbraw/zinc/27/50/45/176275045.db2.gz YVWUUPNZZJMQQN-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359945964 176275046 /nfs/dbraw/zinc/27/50/46/176275046.db2.gz YVWUUPNZZJMQQN-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359945964 176275048 /nfs/dbraw/zinc/27/50/48/176275048.db2.gz YVWUUPNZZJMQQN-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000300418757 176278323 /nfs/dbraw/zinc/27/83/23/176278323.db2.gz BLFYUDLSDHGJGO-YIYPIFLZSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccncc1 ZINC000048261849 176278557 /nfs/dbraw/zinc/27/85/57/176278557.db2.gz VNXMALUFBDMGFM-UMVBOHGHSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1CO ZINC000362069877 176292691 /nfs/dbraw/zinc/29/26/91/176292691.db2.gz FXHFKHAZYMAUKK-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1CO ZINC000362069877 176292693 /nfs/dbraw/zinc/29/26/93/176292693.db2.gz FXHFKHAZYMAUKK-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1CO ZINC000362069877 176292694 /nfs/dbraw/zinc/29/26/94/176292694.db2.gz FXHFKHAZYMAUKK-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000224619875 176297993 /nfs/dbraw/zinc/29/79/93/176297993.db2.gz TWBHURMPEJXOKN-VWYCJHECSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000049709426 176305267 /nfs/dbraw/zinc/30/52/67/176305267.db2.gz JQRRWFTWLBWDHW-MFKMUULPSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000049709426 176305268 /nfs/dbraw/zinc/30/52/68/176305268.db2.gz JQRRWFTWLBWDHW-MFKMUULPSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C[C@H]1C ZINC000092085538 176311701 /nfs/dbraw/zinc/31/17/01/176311701.db2.gz FWPOCNBMAQHDQF-DTORHVGOSA-N 2 1 238.335 1.351 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C[C@H]1C ZINC000092085538 176311704 /nfs/dbraw/zinc/31/17/04/176311704.db2.gz FWPOCNBMAQHDQF-DTORHVGOSA-N 2 1 238.335 1.351 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH2+]C(C)(C)C ZINC000094459359 176323575 /nfs/dbraw/zinc/32/35/75/176323575.db2.gz DCJDWBJJPLJOTI-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000035776437 176335762 /nfs/dbraw/zinc/33/57/62/176335762.db2.gz RBOJJZCGKITCGY-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C(C)(C)C)CC[N@@H+]1C ZINC000336724048 176371741 /nfs/dbraw/zinc/37/17/41/176371741.db2.gz ZCFBERSSHCRDSF-AGIUHOORSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C(C)(C)C)CC[N@H+]1C ZINC000336724048 176371742 /nfs/dbraw/zinc/37/17/42/176371742.db2.gz ZCFBERSSHCRDSF-AGIUHOORSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)C(C)(C)C)CC[NH+]1C ZINC000336724048 176371743 /nfs/dbraw/zinc/37/17/43/176371743.db2.gz ZCFBERSSHCRDSF-AGIUHOORSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)C(C)(C)C)CC[NH+]1C ZINC000336724048 176371744 /nfs/dbraw/zinc/37/17/44/176371744.db2.gz ZCFBERSSHCRDSF-AGIUHOORSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000309809392 176375058 /nfs/dbraw/zinc/37/50/58/176375058.db2.gz TVRMEVCSVAESAC-YPMHNXCESA-N 2 1 224.348 1.405 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000290213483 176830253 /nfs/dbraw/zinc/83/02/53/176830253.db2.gz HKXUDOGAGLKMDO-WFASDCNBSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](C)CC2)O1 ZINC000148473726 177202622 /nfs/dbraw/zinc/20/26/22/177202622.db2.gz CSPIOLJWHZABTK-CMPLNLGQSA-N 2 1 212.337 1.238 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)CO)C[C@H]1C ZINC000678043924 487637228 /nfs/dbraw/zinc/63/72/28/487637228.db2.gz JEIFNIDZYKKMMW-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)CO)C[C@H]1C ZINC000678043924 487637231 /nfs/dbraw/zinc/63/72/31/487637231.db2.gz JEIFNIDZYKKMMW-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918604 177256985 /nfs/dbraw/zinc/25/69/85/177256985.db2.gz GZZXPBBUQKJQTN-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000340670953 177256992 /nfs/dbraw/zinc/25/69/92/177256992.db2.gz HHHQQHYETUHBFH-DYEKYZERSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251663817 177258527 /nfs/dbraw/zinc/25/85/27/177258527.db2.gz GZZXPBBUQKJQTN-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000049712442 177266311 /nfs/dbraw/zinc/26/63/11/177266311.db2.gz BITNBYGBEBTVFI-JQWIXIFHSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000049712442 177266313 /nfs/dbraw/zinc/26/63/13/177266313.db2.gz BITNBYGBEBTVFI-JQWIXIFHSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000302164284 177294915 /nfs/dbraw/zinc/29/49/15/177294915.db2.gz MNEMTNJGHWPBJM-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1 ZINC000122361803 177324334 /nfs/dbraw/zinc/32/43/34/177324334.db2.gz FCSGAFAURXGZER-JQWIXIFHSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC[N@H+]1C ZINC000336744211 177330829 /nfs/dbraw/zinc/33/08/29/177330829.db2.gz PWHDNNYLCZOWDE-RYUDHWBXSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCOCC1 ZINC000036908725 177330914 /nfs/dbraw/zinc/33/09/14/177330914.db2.gz XELTYXTXWBUVBC-NTZNESFSSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H](CO)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000678043911 487637657 /nfs/dbraw/zinc/63/76/57/487637657.db2.gz JDEMJAHIDCQLAO-SDDRHHMPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000678043911 487637664 /nfs/dbraw/zinc/63/76/64/487637664.db2.gz JDEMJAHIDCQLAO-SDDRHHMPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000678043911 487637673 /nfs/dbraw/zinc/63/76/73/487637673.db2.gz JDEMJAHIDCQLAO-SDDRHHMPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000678043911 487637679 /nfs/dbraw/zinc/63/76/79/487637679.db2.gz JDEMJAHIDCQLAO-SDDRHHMPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H](CO)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000678043911 487637682 /nfs/dbraw/zinc/63/76/82/487637682.db2.gz JDEMJAHIDCQLAO-SDDRHHMPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1 ZINC000122304877 177361384 /nfs/dbraw/zinc/36/13/84/177361384.db2.gz FEYHLHVXAXJXNO-CMPLNLGQSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[C@H](N(C)Cc2cccnc2)CC[N@H+]1C ZINC000177056801 177365076 /nfs/dbraw/zinc/36/50/76/177365076.db2.gz ZZBBUONXOLFMQK-GXTWGEPZSA-N 2 1 233.359 1.996 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000353653494 177370083 /nfs/dbraw/zinc/37/00/83/177370083.db2.gz CTMGSVVXPOTIMW-MDZLAQPJSA-N 2 1 236.363 1.271 20 0 BDADMP CC[N@@H+](Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000087331639 487641762 /nfs/dbraw/zinc/64/17/62/487641762.db2.gz XIEHPDOVFODTMX-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+](Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000087331639 487641768 /nfs/dbraw/zinc/64/17/68/487641768.db2.gz XIEHPDOVFODTMX-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000309089729 487648716 /nfs/dbraw/zinc/64/87/16/487648716.db2.gz CYLGOXDANJDTGM-LLVKDONJSA-N 2 1 214.353 1.391 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000309089730 487648795 /nfs/dbraw/zinc/64/87/95/487648795.db2.gz CYLGOXDANJDTGM-NSHDSACASA-N 2 1 214.353 1.391 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000494363879 226264295 /nfs/dbraw/zinc/26/42/95/226264295.db2.gz CYGWXSPWSJLHAR-GFCCVEGCSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400328856 226340825 /nfs/dbraw/zinc/34/08/25/226340825.db2.gz BFBZNVQDVJFTDB-SRVKXCTJSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400467785 226344418 /nfs/dbraw/zinc/34/44/18/226344418.db2.gz UFHNMYGTEYLQBE-SDDRHHMPSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400499590 226344967 /nfs/dbraw/zinc/34/49/67/226344967.db2.gz FMXNORZHYJKXMZ-UTUOFQBUSA-N 2 1 222.336 1.002 20 0 BDADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000087472201 487660597 /nfs/dbraw/zinc/66/05/97/487660597.db2.gz WCQDKVHWCWXZQM-LLVKDONJSA-N 2 1 207.321 1.684 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000087472201 487660601 /nfs/dbraw/zinc/66/06/01/487660601.db2.gz WCQDKVHWCWXZQM-LLVKDONJSA-N 2 1 207.321 1.684 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383756119 487670687 /nfs/dbraw/zinc/67/06/87/487670687.db2.gz KPTIDDAUEIVKHL-KBPBESRZSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000383756119 487670695 /nfs/dbraw/zinc/67/06/95/487670695.db2.gz KPTIDDAUEIVKHL-KBPBESRZSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383756119 487670699 /nfs/dbraw/zinc/67/06/99/487670699.db2.gz KPTIDDAUEIVKHL-KBPBESRZSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000383805619 487675122 /nfs/dbraw/zinc/67/51/22/487675122.db2.gz UJKFXEMXYMNACD-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000383805619 487675125 /nfs/dbraw/zinc/67/51/25/487675125.db2.gz UJKFXEMXYMNACD-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000383805619 487675129 /nfs/dbraw/zinc/67/51/29/487675129.db2.gz UJKFXEMXYMNACD-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000314077717 487678031 /nfs/dbraw/zinc/67/80/31/487678031.db2.gz CYYBYVIUJXOKIE-NEPJUHHUSA-N 2 1 237.347 1.102 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313349746 487684840 /nfs/dbraw/zinc/68/48/40/487684840.db2.gz IWNHWTCSBALAAY-WCQYABFASA-N 2 1 235.331 1.192 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313349746 487684845 /nfs/dbraw/zinc/68/48/45/487684845.db2.gz IWNHWTCSBALAAY-WCQYABFASA-N 2 1 235.331 1.192 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000397914906 262940533 /nfs/dbraw/zinc/94/05/33/262940533.db2.gz JPRGHKLWYNCJAK-NXEZZACHSA-N 2 1 209.293 1.343 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccccn2)CC[C@@H]1F ZINC001206167495 974886500 /nfs/dbraw/zinc/88/65/00/974886500.db2.gz ZHUHBQIEUXXPNH-RYUDHWBXSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccn2)CC[C@@H]1F ZINC001206167495 974886505 /nfs/dbraw/zinc/88/65/05/974886505.db2.gz ZHUHBQIEUXXPNH-RYUDHWBXSA-N 2 1 223.295 1.343 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000398632757 487722915 /nfs/dbraw/zinc/72/29/15/487722915.db2.gz SGXUWDPANBEWFH-DGCLKSJQSA-N 2 1 228.380 1.645 20 0 BDADMP c1cnn(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250161174 487727442 /nfs/dbraw/zinc/72/74/42/487727442.db2.gz HQBDXROEGDIWGG-UONOGXRCSA-N 2 1 248.374 1.347 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000226397241 487731661 /nfs/dbraw/zinc/73/16/61/487731661.db2.gz IFUKYRHLCVZSKX-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000250614934 487736510 /nfs/dbraw/zinc/73/65/10/487736510.db2.gz BGOZHLWHYQUGRT-ZIAGYGMSSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000250614934 487736514 /nfs/dbraw/zinc/73/65/14/487736514.db2.gz BGOZHLWHYQUGRT-ZIAGYGMSSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446186 487741605 /nfs/dbraw/zinc/74/16/05/487741605.db2.gz HJXITIXBKNPWJP-UKRRQHHQSA-N 2 1 248.370 1.479 20 0 BDADMP CCc1cc(NC[C@@H]2CCCC[NH2+]2)nc(C)[nH+]1 ZINC000088760584 487749946 /nfs/dbraw/zinc/74/99/46/487749946.db2.gz CIUJRZINONAMLG-LBPRGKRZSA-N 2 1 234.347 1.901 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000381054892 487780385 /nfs/dbraw/zinc/78/03/85/487780385.db2.gz IZPJHDCDAMUMHC-NEPJUHHUSA-N 2 1 230.396 1.712 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)CCO1 ZINC000251676392 487788889 /nfs/dbraw/zinc/78/88/89/487788889.db2.gz OZQWIKWLHYHXBE-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)CCO1 ZINC000251676398 487788652 /nfs/dbraw/zinc/78/86/52/487788652.db2.gz OZQWIKWLHYHXBE-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000307314688 487788795 /nfs/dbraw/zinc/78/87/95/487788795.db2.gz VPVGSMLFYJRMQJ-CQSZACIVSA-N 2 1 234.343 1.484 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cnccc2C)CC[C@H]1[NH3+] ZINC000251733242 487793631 /nfs/dbraw/zinc/79/36/31/487793631.db2.gz KMTSZHUHSKIESE-GXTWGEPZSA-N 2 1 233.359 1.949 20 0 BDADMP Cn1cccc1[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000414685453 487817949 /nfs/dbraw/zinc/81/79/49/487817949.db2.gz ZFOCYALGLSHCHQ-LBPRGKRZSA-N 2 1 207.321 1.511 20 0 BDADMP CCOc1ccc2c(c1)CC[N@@H+](CCC[NH3+])C2 ZINC000414748603 487821248 /nfs/dbraw/zinc/82/12/48/487821248.db2.gz UVAMXNLFTBMTGG-UHFFFAOYSA-N 2 1 234.343 1.792 20 0 BDADMP CCOc1ccc2c(c1)CC[N@H+](CCC[NH3+])C2 ZINC000414748603 487821252 /nfs/dbraw/zinc/82/12/52/487821252.db2.gz UVAMXNLFTBMTGG-UHFFFAOYSA-N 2 1 234.343 1.792 20 0 BDADMP Cc1[nH+]cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)n1C ZINC000668090248 487834898 /nfs/dbraw/zinc/83/48/98/487834898.db2.gz JBJMIGMJZITKFD-QMTHXVAHSA-N 2 1 249.358 1.728 20 0 BDADMP CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000676362190 487841890 /nfs/dbraw/zinc/84/18/90/487841890.db2.gz VAGAJXZKTFJSTF-UHFFFAOYSA-N 2 1 205.305 1.614 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](CCCO)C2CC2)CC[NH2+]1 ZINC000666640272 487848915 /nfs/dbraw/zinc/84/89/15/487848915.db2.gz RDZBRWVLQXNRSC-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+](C)CCNC(=[NH2+])N1CCC(C)CC1 ZINC000303267091 487856396 /nfs/dbraw/zinc/85/63/96/487856396.db2.gz WSDURQQKQJSRKI-UHFFFAOYSA-N 2 1 226.368 1.194 20 0 BDADMP CC[N@@H+](C)CCNC(=[NH2+])N1CCC(C)CC1 ZINC000303267091 487856400 /nfs/dbraw/zinc/85/64/00/487856400.db2.gz WSDURQQKQJSRKI-UHFFFAOYSA-N 2 1 226.368 1.194 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC(C)(C)C1 ZINC000395439271 487858389 /nfs/dbraw/zinc/85/83/89/487858389.db2.gz PWYBXTSRQYORSG-ZDUSSCGKSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000395439271 487858392 /nfs/dbraw/zinc/85/83/92/487858392.db2.gz PWYBXTSRQYORSG-ZDUSSCGKSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000323803435 487873554 /nfs/dbraw/zinc/87/35/54/487873554.db2.gz HCWJLQHBQSMWHG-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP COC1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000666770372 487876960 /nfs/dbraw/zinc/87/69/60/487876960.db2.gz WSHYDPLSUUXKCT-OTTFEQOBSA-N 2 1 226.364 1.676 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000229191349 487888772 /nfs/dbraw/zinc/88/87/72/487888772.db2.gz MDVFFIBNXHSSDB-STQMWFEESA-N 2 1 246.354 1.833 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367080 487910741 /nfs/dbraw/zinc/91/07/41/487910741.db2.gz WZTRCIHZRCNMBQ-OLZOCXBDSA-N 2 1 238.375 1.759 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955347 487915268 /nfs/dbraw/zinc/91/52/68/487915268.db2.gz ATPBXLZAWSASMQ-VXGBXAGGSA-N 2 1 225.380 1.092 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000666982810 487922321 /nfs/dbraw/zinc/92/23/21/487922321.db2.gz DEKXFUFRLPNPRQ-OBJOEFQTSA-N 2 1 246.354 1.974 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000666982810 487922327 /nfs/dbraw/zinc/92/23/27/487922327.db2.gz DEKXFUFRLPNPRQ-OBJOEFQTSA-N 2 1 246.354 1.974 20 0 BDADMP Clc1cscc1C[NH2+]C[C@H]1CNCCO1 ZINC000667036174 487933671 /nfs/dbraw/zinc/93/36/71/487933671.db2.gz OHJBZMQAWXLPRL-SECBINFHSA-N 2 1 246.763 1.480 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000235223018 487936564 /nfs/dbraw/zinc/93/65/64/487936564.db2.gz RYOOYHLGWXRBMR-YPMHNXCESA-N 2 1 226.364 1.533 20 0 BDADMP [NH3+]CC(F)(F)CNC1CC[NH+](CC2CC2)CC1 ZINC000560954894 322993668 /nfs/dbraw/zinc/99/36/68/322993668.db2.gz GWLKNGOVFXCGJD-UHFFFAOYSA-N 2 1 247.333 1.044 20 0 BDADMP COC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000561983876 323010004 /nfs/dbraw/zinc/01/00/04/323010004.db2.gz ZALUNDCYIVDFES-AGIUHOORSA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000561983876 323010005 /nfs/dbraw/zinc/01/00/05/323010005.db2.gz ZALUNDCYIVDFES-AGIUHOORSA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000561983876 323010006 /nfs/dbraw/zinc/01/00/06/323010006.db2.gz ZALUNDCYIVDFES-AGIUHOORSA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000561983876 323010007 /nfs/dbraw/zinc/01/00/07/323010007.db2.gz ZALUNDCYIVDFES-AGIUHOORSA-N 2 1 228.380 1.541 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000247251008 323012515 /nfs/dbraw/zinc/01/25/15/323012515.db2.gz ZSHZKVCJLAFNML-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)CC[N@H+]1C ZINC000248057235 323015916 /nfs/dbraw/zinc/01/59/16/323015916.db2.gz XNDPVXOEVNKIOQ-GRYCIOLGSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248169662 323016352 /nfs/dbraw/zinc/01/63/52/323016352.db2.gz UNGKBHREGIHFAV-QNWHQSFQSA-N 2 1 228.380 1.466 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C[NH3+])CC(C)C ZINC000562744386 323029786 /nfs/dbraw/zinc/02/97/86/323029786.db2.gz DJSQAKRDKCMZLR-MNOVXSKESA-N 2 1 202.342 1.232 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CCCC[NH3+] ZINC000569690366 323037160 /nfs/dbraw/zinc/03/71/60/323037160.db2.gz RSOAOHRRMFCSGH-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000567735509 323079642 /nfs/dbraw/zinc/07/96/42/323079642.db2.gz LNNRDGQNBMQMJC-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCSC1 ZINC000308871811 323081526 /nfs/dbraw/zinc/08/15/26/323081526.db2.gz KKLHVBIJJKMTJK-JTQLQIEISA-N 2 1 225.361 1.448 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152489 323095794 /nfs/dbraw/zinc/09/57/94/323095794.db2.gz KCEYVXYXLMFCFZ-ICIURTGMSA-N 3 1 237.391 1.201 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000310038608 323126963 /nfs/dbraw/zinc/12/69/63/323126963.db2.gz WGJDDBRAMBIJSW-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000310038608 323126964 /nfs/dbraw/zinc/12/69/64/323126964.db2.gz WGJDDBRAMBIJSW-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310343273 323130951 /nfs/dbraw/zinc/13/09/51/323130951.db2.gz FIEHVNFBLBETCX-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310343273 323130952 /nfs/dbraw/zinc/13/09/52/323130952.db2.gz FIEHVNFBLBETCX-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000571225898 323138625 /nfs/dbraw/zinc/13/86/25/323138625.db2.gz DTNCPASGLWPPQV-QWHCGFSZSA-N 2 1 244.342 1.694 20 0 BDADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CN)o1 ZINC000414925034 323152097 /nfs/dbraw/zinc/15/20/97/323152097.db2.gz HNHXYCBBIINPDZ-MRVPVSSYSA-N 2 1 234.303 1.415 20 0 BDADMP CC(C)C[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000308824077 323179132 /nfs/dbraw/zinc/17/91/32/323179132.db2.gz DCQLHLAVUKLPJQ-NSHDSACASA-N 2 1 209.337 1.987 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000530218969 323217888 /nfs/dbraw/zinc/21/78/88/323217888.db2.gz IHPHXLORXFYZHQ-WCQYABFASA-N 2 1 249.358 1.220 20 0 BDADMP C[NH2+]CCCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000309504688 323419870 /nfs/dbraw/zinc/41/98/70/323419870.db2.gz MRQAWOLMBZKYJE-GHMZBOCLSA-N 2 1 221.348 1.863 20 0 BDADMP C[NH+]1CCC([NH2+]CCOC(C)(C)C)CC1 ZINC000162522856 323623813 /nfs/dbraw/zinc/62/38/13/323623813.db2.gz DLBXYBSTAGJTSY-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000527783124 323689792 /nfs/dbraw/zinc/68/97/92/323689792.db2.gz FQDOBAFSXJVZOD-NEPJUHHUSA-N 2 1 212.337 1.238 20 0 BDADMP [NH3+]CCCCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000572483718 324124967 /nfs/dbraw/zinc/12/49/67/324124967.db2.gz OKBVDYGPRMWRBK-UHFFFAOYSA-N 2 1 247.342 1.252 20 0 BDADMP C[C@@H]([NH2+]CC12CC(C1)CO2)c1c[nH+]ccc1N ZINC000530217398 324533587 /nfs/dbraw/zinc/53/35/87/324533587.db2.gz BJFBYPPYJUVLCA-TTXORMCVSA-N 2 1 233.315 1.324 20 0 BDADMP C[C@H](CC1CCCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000125590986 324644026 /nfs/dbraw/zinc/64/40/26/324644026.db2.gz JDCPSQJRWSUWLJ-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000130727173 325082380 /nfs/dbraw/zinc/08/23/80/325082380.db2.gz CZRYIQJPTUKPFP-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000130727173 325082382 /nfs/dbraw/zinc/08/23/82/325082382.db2.gz CZRYIQJPTUKPFP-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000130727173 325082383 /nfs/dbraw/zinc/08/23/83/325082383.db2.gz CZRYIQJPTUKPFP-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000158590806 487967808 /nfs/dbraw/zinc/96/78/08/487967808.db2.gz CCSVXVCDJIGQOH-GARJFASQSA-N 2 1 214.378 1.422 20 0 BDADMP CN(C)c1ccccc1C[N@@H+](C)CCC[NH3+] ZINC000566225717 326018632 /nfs/dbraw/zinc/01/86/32/326018632.db2.gz HDIDNWXWFFXFNK-UHFFFAOYSA-N 2 1 221.348 1.533 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCN(C)c1ccccc1 ZINC000566412583 326041200 /nfs/dbraw/zinc/04/12/00/326041200.db2.gz HZACMSQRLOVWME-UONOGXRCSA-N 2 1 247.386 1.934 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566428750 326045687 /nfs/dbraw/zinc/04/56/87/326045687.db2.gz LILVPZZVNPRVLT-OCCSQVGLSA-N 2 1 249.358 1.464 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566428750 326045689 /nfs/dbraw/zinc/04/56/89/326045689.db2.gz LILVPZZVNPRVLT-OCCSQVGLSA-N 2 1 249.358 1.464 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]C1 ZINC000566973401 326098472 /nfs/dbraw/zinc/09/84/72/326098472.db2.gz KLDCXWUEBOLYLG-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000567226796 326146283 /nfs/dbraw/zinc/14/62/83/326146283.db2.gz DYMIORBMXAOQLY-YIYPIFLZSA-N 2 1 232.327 1.898 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1CCOCC1 ZINC000155773026 326211599 /nfs/dbraw/zinc/21/15/99/326211599.db2.gz LJCAHKNRQWJQSB-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1CCOCC1 ZINC000155773026 326211602 /nfs/dbraw/zinc/21/16/02/326211602.db2.gz LJCAHKNRQWJQSB-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CCOCC1 ZINC000155773026 326211604 /nfs/dbraw/zinc/21/16/04/326211604.db2.gz LJCAHKNRQWJQSB-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cn1 ZINC000567639532 326236971 /nfs/dbraw/zinc/23/69/71/326236971.db2.gz ZKUOYCKRZIFWMK-GFCCVEGCSA-N 2 1 238.379 1.942 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000567654266 326239169 /nfs/dbraw/zinc/23/91/69/326239169.db2.gz KIMJIOJPESNIMG-QWHCGFSZSA-N 2 1 223.364 1.156 20 0 BDADMP C[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000567849770 326269976 /nfs/dbraw/zinc/26/99/76/326269976.db2.gz DASXILSWPVTSMF-ZETCQYMHSA-N 2 1 218.260 1.215 20 0 BDADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000568051609 326300497 /nfs/dbraw/zinc/30/04/97/326300497.db2.gz UEIUOIBCSCTIFQ-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248509 326334242 /nfs/dbraw/zinc/33/42/42/326334242.db2.gz SXMHPSRBMRXWRT-MCIONIFRSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248509 326334243 /nfs/dbraw/zinc/33/42/43/326334243.db2.gz SXMHPSRBMRXWRT-MCIONIFRSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000568868818 326380254 /nfs/dbraw/zinc/38/02/54/326380254.db2.gz PUUMMYRAYGFCPT-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP CC[NH2+]CCCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000569106205 326390487 /nfs/dbraw/zinc/39/04/87/326390487.db2.gz UBGHLSGHZNTPOS-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400468348 487980435 /nfs/dbraw/zinc/98/04/35/487980435.db2.gz UKMZCXYTGMCUMS-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000134717556 487996464 /nfs/dbraw/zinc/99/64/64/487996464.db2.gz ZDMFLWSUJPFTBC-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH+]cc(CN2CCOCC2(C)C)n1C ZINC000667544129 488041363 /nfs/dbraw/zinc/04/13/63/488041363.db2.gz XBOMLCXPGQBJHE-UHFFFAOYSA-N 2 1 223.320 1.339 20 0 BDADMP CCn1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000656200620 488066995 /nfs/dbraw/zinc/06/69/95/488066995.db2.gz SEWKVMCTLLPDRD-MNOVXSKESA-N 2 1 222.336 1.263 20 0 BDADMP c1cncc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000148318323 488098144 /nfs/dbraw/zinc/09/81/44/488098144.db2.gz RZBJMUZQXPBMTB-UHFFFAOYSA-N 2 1 231.343 1.798 20 0 BDADMP c1cncc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000148318323 488098150 /nfs/dbraw/zinc/09/81/50/488098150.db2.gz RZBJMUZQXPBMTB-UHFFFAOYSA-N 2 1 231.343 1.798 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cncs2)CC[C@@H]1[NH3+] ZINC000166666485 488100443 /nfs/dbraw/zinc/10/04/43/488100443.db2.gz WFGZCOWZZKZNOI-KOLCDFICSA-N 2 1 225.361 1.702 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cncs2)CC[C@@H]1[NH3+] ZINC000166666485 488100449 /nfs/dbraw/zinc/10/04/49/488100449.db2.gz WFGZCOWZZKZNOI-KOLCDFICSA-N 2 1 225.361 1.702 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667822677 488128507 /nfs/dbraw/zinc/12/85/07/488128507.db2.gz QHHMDALPHQQFHJ-STQMWFEESA-N 2 1 235.331 1.349 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000324113617 487533040 /nfs/dbraw/zinc/53/30/40/487533040.db2.gz FKKJBLVAJXVDDE-STQMWFEESA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000324113617 487533046 /nfs/dbraw/zinc/53/30/46/487533046.db2.gz FKKJBLVAJXVDDE-STQMWFEESA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000300580515 487492417 /nfs/dbraw/zinc/49/24/17/487492417.db2.gz BSAIAJPTCDAEQM-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000300580515 487492423 /nfs/dbraw/zinc/49/24/23/487492423.db2.gz BSAIAJPTCDAEQM-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000300580516 487492677 /nfs/dbraw/zinc/49/26/77/487492677.db2.gz BSAIAJPTCDAEQM-MGPQQGTHSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000300580516 487492683 /nfs/dbraw/zinc/49/26/83/487492683.db2.gz BSAIAJPTCDAEQM-MGPQQGTHSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000381082918 487494545 /nfs/dbraw/zinc/49/45/45/487494545.db2.gz RXALDGRPKUPATA-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000231984934 487495025 /nfs/dbraw/zinc/49/50/25/487495025.db2.gz QBMLMAVTNUHXOK-PWSUYJOCSA-N 2 1 212.337 1.238 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000399987810 487499500 /nfs/dbraw/zinc/49/95/00/487499500.db2.gz CYNUDQSWNUAYJE-UONOGXRCSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000399987810 487499506 /nfs/dbraw/zinc/49/95/06/487499506.db2.gz CYNUDQSWNUAYJE-UONOGXRCSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000399987810 487499510 /nfs/dbraw/zinc/49/95/10/487499510.db2.gz CYNUDQSWNUAYJE-UONOGXRCSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(C)(C)C2CC2)CCO1 ZINC000406078703 487499935 /nfs/dbraw/zinc/49/99/35/487499935.db2.gz WCEZRFIQTKBOFE-YPMHNXCESA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CCO1 ZINC000406078703 487499937 /nfs/dbraw/zinc/49/99/37/487499937.db2.gz WCEZRFIQTKBOFE-YPMHNXCESA-N 2 1 240.391 1.861 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCSCC1 ZINC000657980806 487508080 /nfs/dbraw/zinc/50/80/80/487508080.db2.gz DRIAMSKSFMXDER-NSHDSACASA-N 2 1 239.388 1.838 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)CO1 ZINC000657980695 487508445 /nfs/dbraw/zinc/50/84/45/487508445.db2.gz CYKJRAFSSRHHAY-ZYHUDNBSSA-N 2 1 223.320 1.120 20 0 BDADMP Cc1csc(CC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000063132384 487514358 /nfs/dbraw/zinc/51/43/58/487514358.db2.gz YQMQJMQKXQYMAW-UHFFFAOYSA-N 2 1 239.388 1.678 20 0 BDADMP Cc1nc(C[NH+]2CCC(CC[NH3+])CC2)co1 ZINC000379931972 488160194 /nfs/dbraw/zinc/16/01/94/488160194.db2.gz UWRUFQWUAZFAKX-UHFFFAOYSA-N 2 1 223.320 1.544 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000162065550 487534753 /nfs/dbraw/zinc/53/47/53/487534753.db2.gz MDVFFIBNXHSSDB-CHWSQXEVSA-N 2 1 246.354 1.833 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCC1 ZINC000662275836 490045895 /nfs/dbraw/zinc/04/58/95/490045895.db2.gz FDBYXVUMOMVDHD-ZMLRMANQSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCC1 ZINC000662275836 490045899 /nfs/dbraw/zinc/04/58/99/490045899.db2.gz FDBYXVUMOMVDHD-ZMLRMANQSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000676325411 487837696 /nfs/dbraw/zinc/83/76/96/487837696.db2.gz IGNCYFIHTFRXIU-GXFFZTMASA-N 2 1 244.342 1.935 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000676325411 487837699 /nfs/dbraw/zinc/83/76/99/487837699.db2.gz IGNCYFIHTFRXIU-GXFFZTMASA-N 2 1 244.342 1.935 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](CCCO)C1CC1 ZINC000666640321 488068361 /nfs/dbraw/zinc/06/83/61/488068361.db2.gz WLLUBFGPKLSKBA-NSHDSACASA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](CCCO)C1CC1 ZINC000666640321 488068362 /nfs/dbraw/zinc/06/83/62/488068362.db2.gz WLLUBFGPKLSKBA-NSHDSACASA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](NCC2=CCCOC2)C1 ZINC000657562214 488135693 /nfs/dbraw/zinc/13/56/93/488135693.db2.gz LNFIDPRSZMJVRR-ZDUSSCGKSA-N 2 1 238.375 1.796 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667860363 488140459 /nfs/dbraw/zinc/14/04/59/488140459.db2.gz NGPVMLIVGYTJRS-XBFCOCLRSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH+]1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000258901800 488142435 /nfs/dbraw/zinc/14/24/35/488142435.db2.gz DKZFIMMSXUEJSD-UHFFFAOYSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CC2)CC[N@H+]1C ZINC000397780389 488149356 /nfs/dbraw/zinc/14/93/56/488149356.db2.gz ORKLILSFYLHUBB-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CC[N@@H+]1C ZINC000397780389 488149360 /nfs/dbraw/zinc/14/93/60/488149360.db2.gz ORKLILSFYLHUBB-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CC[N@H+]1C ZINC000397780389 488149364 /nfs/dbraw/zinc/14/93/64/488149364.db2.gz ORKLILSFYLHUBB-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000321909995 488161226 /nfs/dbraw/zinc/16/12/26/488161226.db2.gz PIEUEAFCFHKPSG-LPWJVIDDSA-N 2 1 210.365 1.962 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](CCC(C)C)C1CC1 ZINC000380106665 488173391 /nfs/dbraw/zinc/17/33/91/488173391.db2.gz YRCTXYWNIAPZLZ-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](CCC(C)C)C1CC1 ZINC000380106665 488173395 /nfs/dbraw/zinc/17/33/95/488173395.db2.gz YRCTXYWNIAPZLZ-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCC(C)C)C1CC1 ZINC000380106665 488173402 /nfs/dbraw/zinc/17/34/02/488173402.db2.gz YRCTXYWNIAPZLZ-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CCC(C)C)C1CC1 ZINC000380106665 488173406 /nfs/dbraw/zinc/17/34/06/488173406.db2.gz YRCTXYWNIAPZLZ-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@H]1C ZINC000380145001 488175289 /nfs/dbraw/zinc/17/52/89/488175289.db2.gz HDYLLEYHSVZEBB-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC12CCOCC2 ZINC000683525906 488186907 /nfs/dbraw/zinc/18/69/07/488186907.db2.gz LHINQKXZTMFTSS-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CCO)C1 ZINC000678075737 488191311 /nfs/dbraw/zinc/19/13/11/488191311.db2.gz NYRUHSRJLSKCRM-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000678075737 488191313 /nfs/dbraw/zinc/19/13/13/488191313.db2.gz NYRUHSRJLSKCRM-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1COCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678080932 488193048 /nfs/dbraw/zinc/19/30/48/488193048.db2.gz QGQSYUUINLPYNS-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1COCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678080932 488193049 /nfs/dbraw/zinc/19/30/49/488193049.db2.gz QGQSYUUINLPYNS-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1COCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678080932 488193052 /nfs/dbraw/zinc/19/30/52/488193052.db2.gz QGQSYUUINLPYNS-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+](Cc1cccs1)C[C@H]1CNCCO1 ZINC000043802219 488208978 /nfs/dbraw/zinc/20/89/78/488208978.db2.gz RVWBGMIGUGVPJM-SNVBAGLBSA-N 2 1 226.345 1.168 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000398610764 488220606 /nfs/dbraw/zinc/22/06/06/488220606.db2.gz AVLOGCHNSZCMSH-CYBMUJFWSA-N 2 1 208.349 1.862 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn[nH]c2)C[C@@H]1C ZINC000678277141 488235874 /nfs/dbraw/zinc/23/58/74/488235874.db2.gz RLTIHDYIUBTOIH-WCQYABFASA-N 2 1 236.363 1.714 20 0 BDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC000678335330 488242277 /nfs/dbraw/zinc/24/22/77/488242277.db2.gz XHCAMIHNOVRHBT-OLZOCXBDSA-N 2 1 234.347 1.468 20 0 BDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC000678335330 488242278 /nfs/dbraw/zinc/24/22/78/488242278.db2.gz XHCAMIHNOVRHBT-OLZOCXBDSA-N 2 1 234.347 1.468 20 0 BDADMP COCCC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000123966783 490271033 /nfs/dbraw/zinc/27/10/33/490271033.db2.gz ORPVWOOOWXVRQD-UHFFFAOYSA-N 2 1 248.370 1.801 20 0 BDADMP C([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000228554423 490291014 /nfs/dbraw/zinc/29/10/14/490291014.db2.gz RUTHAICUCNWNGL-MNOVXSKESA-N 2 1 214.378 1.471 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@@H+]1C ZINC000121344356 491103756 /nfs/dbraw/zinc/10/37/56/491103756.db2.gz IFSAETZKOXPFIQ-MQYQWHSLSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1C ZINC000121344356 491103757 /nfs/dbraw/zinc/10/37/57/491103757.db2.gz IFSAETZKOXPFIQ-MQYQWHSLSA-N 2 1 240.391 1.610 20 0 BDADMP COc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320241 491124410 /nfs/dbraw/zinc/12/44/10/491124410.db2.gz BYFXGFBHTNRQBY-CHWSQXEVSA-N 2 1 232.327 1.346 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000309810838 491156397 /nfs/dbraw/zinc/15/63/97/491156397.db2.gz YXSHRFSJYPRXRN-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000310122023 491160445 /nfs/dbraw/zinc/16/04/45/491160445.db2.gz BTTCCSJWMOQPMA-QWHCGFSZSA-N 2 1 237.347 1.739 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])CC1 ZINC001172767180 974935834 /nfs/dbraw/zinc/93/58/34/974935834.db2.gz XMRZWMSHYQKKIB-MNOVXSKESA-N 2 1 242.363 1.435 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400479408 533782890 /nfs/dbraw/zinc/78/28/90/533782890.db2.gz FDUHJWVCJLUFKW-GUBZILKMSA-N 2 1 202.367 1.468 20 0 BDADMP C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400426237 533872499 /nfs/dbraw/zinc/87/24/99/533872499.db2.gz YTPLYDCRPYOTPA-JSGCOSHPSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000400358528 533989855 /nfs/dbraw/zinc/98/98/55/533989855.db2.gz BFVOKIRQKHPTGC-FQUUOJAGSA-N 2 1 237.391 1.343 20 0 BDADMP CCC[C@H](C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000225341242 535613099 /nfs/dbraw/zinc/61/30/99/535613099.db2.gz KHSBVDWQEVYCGD-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000225341242 535613105 /nfs/dbraw/zinc/61/31/05/535613105.db2.gz KHSBVDWQEVYCGD-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000488293852 534022095 /nfs/dbraw/zinc/02/20/95/534022095.db2.gz GGJOGGMLQUDZOY-OLZOCXBDSA-N 2 1 240.391 1.421 20 0 BDADMP COc1ccccc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400352934 534047527 /nfs/dbraw/zinc/04/75/27/534047527.db2.gz ACXMHZHZQQGGJG-OCCSQVGLSA-N 2 1 248.370 1.968 20 0 BDADMP COc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400352932 534046280 /nfs/dbraw/zinc/04/62/80/534046280.db2.gz ACXMHZHZQQGGJG-JSGCOSHPSA-N 2 1 248.370 1.968 20 0 BDADMP CCc1nc(N2CC[C@@]3(CC[NH2+]C3)C2)cc(C)[nH+]1 ZINC000261575977 536125636 /nfs/dbraw/zinc/12/56/36/536125636.db2.gz NMBNBUCQFRQDRL-CQSZACIVSA-N 2 1 246.358 1.537 20 0 BDADMP COc1cc(C[NH2+][C@H](C)C[NH3+])ccc1C ZINC000161983113 518134982 /nfs/dbraw/zinc/13/49/82/518134982.db2.gz YLZJYBMVJJGCKF-SNVBAGLBSA-N 2 1 208.305 1.440 20 0 BDADMP C[NH2+]C[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000040602348 536465737 /nfs/dbraw/zinc/46/57/37/536465737.db2.gz PNEGEDHNCMVFQD-GFCCVEGCSA-N 2 1 219.332 1.826 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400508889 527965889 /nfs/dbraw/zinc/96/58/89/527965889.db2.gz KWWPRBPEZAJICH-QJPTWQEYSA-N 2 1 214.353 1.124 20 0 BDADMP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336897531 535000809 /nfs/dbraw/zinc/00/08/09/535000809.db2.gz PJDQGUBOSYMZLD-WCQYABFASA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000261544563 535041558 /nfs/dbraw/zinc/04/15/58/535041558.db2.gz JAYABBOJOOEABU-UTUOFQBUSA-N 2 1 208.349 1.574 20 0 BDADMP CC(C)[C@H]1CN(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000336054860 535233580 /nfs/dbraw/zinc/23/35/80/535233580.db2.gz OHTRFAUEZGBPMX-CQSZACIVSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@@H]1CCCO1 ZINC000261534914 535308645 /nfs/dbraw/zinc/30/86/45/535308645.db2.gz NJURZUOJJVAPDD-NWDGAFQWSA-N 2 1 214.353 1.519 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC1CCOCC1 ZINC000261534837 535308943 /nfs/dbraw/zinc/30/89/43/535308943.db2.gz NDEVBCCIPFSBOK-GFCCVEGCSA-N 2 1 214.353 1.376 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)COC)C1 ZINC000252710372 535525510 /nfs/dbraw/zinc/52/55/10/535525510.db2.gz GLDMTLVYEQXYEV-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182590601 535649026 /nfs/dbraw/zinc/64/90/26/535649026.db2.gz BICGSBCORKNRAH-PBWFPOADSA-N 2 1 237.391 1.249 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000219859629 535852866 /nfs/dbraw/zinc/85/28/66/535852866.db2.gz DHMPMHAHMOQXAH-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000219859629 535852872 /nfs/dbraw/zinc/85/28/72/535852872.db2.gz DHMPMHAHMOQXAH-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000226586814 535858391 /nfs/dbraw/zinc/85/83/91/535858391.db2.gz WTVCMKBDEWHXOA-LOWDOPEQSA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000168121832 536098361 /nfs/dbraw/zinc/09/83/61/536098361.db2.gz ASUCNIZRSZTFMQ-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H](COC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000070656595 536121699 /nfs/dbraw/zinc/12/16/99/536121699.db2.gz HLNFLSYROYWAQA-LLVKDONJSA-N 2 1 226.364 1.628 20 0 BDADMP CCc1nc(N2CC[C@H]([NH3+])[C@@H]2C)cc(C)[nH+]1 ZINC000261582008 536125855 /nfs/dbraw/zinc/12/58/55/536125855.db2.gz NXWZYQBSINJOOM-UWVGGRQHSA-N 2 1 220.320 1.273 20 0 BDADMP CCc1nc(NC[C@@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000261571014 536126278 /nfs/dbraw/zinc/12/62/78/536126278.db2.gz HHNHCKPVHDRGFP-SNVBAGLBSA-N 2 1 220.320 1.369 20 0 BDADMP CCc1cc(N2CCC([NH3+])CC2)nc(C)[nH+]1 ZINC000045950989 536144260 /nfs/dbraw/zinc/14/42/60/536144260.db2.gz JGWPUXYBODAKIH-UHFFFAOYSA-N 2 1 220.320 1.275 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCOc1ccc(F)cc1 ZINC000130892785 536342713 /nfs/dbraw/zinc/34/27/13/536342713.db2.gz LYBPHTYXRFXJNI-UHFFFAOYSA-N 2 1 240.322 1.875 20 0 BDADMP COC(=O)CCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000348906588 536447511 /nfs/dbraw/zinc/44/75/11/536447511.db2.gz UHWQFMOVKPATKP-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCC[NH2+]CC2)c1 ZINC000213938363 536690471 /nfs/dbraw/zinc/69/04/71/536690471.db2.gz RCWQAHLTSJULQX-UHFFFAOYSA-N 2 1 235.331 1.194 20 0 BDADMP Cc1nccn1CC[N@@H+](CC(C)(C)O)C1CC1 ZINC000426767924 566280104 /nfs/dbraw/zinc/28/01/04/566280104.db2.gz SAOSGGDERDCNOD-UHFFFAOYSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](CC(C)(C)O)C1CC1 ZINC000426767924 566280115 /nfs/dbraw/zinc/28/01/15/566280115.db2.gz SAOSGGDERDCNOD-UHFFFAOYSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](CC(C)(C)O)C1CC1 ZINC000426767924 566280119 /nfs/dbraw/zinc/28/01/19/566280119.db2.gz SAOSGGDERDCNOD-UHFFFAOYSA-N 2 1 237.347 1.427 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399081604 583169754 /nfs/dbraw/zinc/16/97/54/583169754.db2.gz PTACHGBMTGZLMK-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH+]1CCC(C[N@@H+](CC(C)(C)O)C2CC2)CC1 ZINC000893707678 583207212 /nfs/dbraw/zinc/20/72/12/583207212.db2.gz WVFGJTIBIWQVDR-UHFFFAOYSA-N 2 1 240.391 1.564 20 0 BDADMP NC[C@@H]1CCCC[N@@H+]1CCC1SCCS1 ZINC000853022956 588716604 /nfs/dbraw/zinc/71/66/04/588716604.db2.gz IZSHBVNHIYVKNE-JTQLQIEISA-N 2 1 246.445 1.996 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC1SCCS1 ZINC000853022956 588716606 /nfs/dbraw/zinc/71/66/06/588716606.db2.gz IZSHBVNHIYVKNE-JTQLQIEISA-N 2 1 246.445 1.996 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCC1SCCS1 ZINC000853022956 588716607 /nfs/dbraw/zinc/71/66/07/588716607.db2.gz IZSHBVNHIYVKNE-JTQLQIEISA-N 2 1 246.445 1.996 20 0 BDADMP O[C@@H](C[NH2+]CCC[NH+]1CCCC1)c1ccccn1 ZINC000853061044 588718089 /nfs/dbraw/zinc/71/80/89/588718089.db2.gz QXFYSHQMLJSVMF-AWEZNQCLSA-N 2 1 249.358 1.191 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239288 588728133 /nfs/dbraw/zinc/72/81/33/588728133.db2.gz DKIUPTFSVDHRDD-TZMCWYRMSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@](O)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000112466180 588799113 /nfs/dbraw/zinc/79/91/13/588799113.db2.gz TXBDVMGWAHOMOO-VNHYZAJKSA-N 2 1 246.354 1.045 20 0 BDADMP COC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609137148 582599505 /nfs/dbraw/zinc/59/95/05/582599505.db2.gz FVAOANWRPKYASN-UHFFFAOYSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609137148 582599508 /nfs/dbraw/zinc/59/95/08/582599508.db2.gz FVAOANWRPKYASN-UHFFFAOYSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609137148 582599510 /nfs/dbraw/zinc/59/95/10/582599510.db2.gz FVAOANWRPKYASN-UHFFFAOYSA-N 2 1 242.363 1.212 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891716122 582713081 /nfs/dbraw/zinc/71/30/81/582713081.db2.gz LXYQTWQTQOBNCQ-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1cc(N)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000891781387 582720011 /nfs/dbraw/zinc/72/00/11/582720011.db2.gz IGLIXHWRTCGJPV-JTQLQIEISA-N 2 1 247.346 1.263 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC1=[NH+]CCCN1C ZINC000849006151 582822097 /nfs/dbraw/zinc/82/20/97/582822097.db2.gz YZROJQFVTOQIPD-LBPRGKRZSA-N 2 1 238.379 1.142 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000849006150 582822440 /nfs/dbraw/zinc/82/24/40/582822440.db2.gz YZROJQFVTOQIPD-GFCCVEGCSA-N 2 1 238.379 1.142 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849005563 582822670 /nfs/dbraw/zinc/82/26/70/582822670.db2.gz JTOPIGPAKRUHFD-UHFFFAOYSA-N 2 1 226.368 1.385 20 0 BDADMP Cc1cc(N)nc(NC[C@@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000892345730 582863578 /nfs/dbraw/zinc/86/35/78/582863578.db2.gz SEKONPMBIGJYAF-JTQLQIEISA-N 2 1 235.335 1.119 20 0 BDADMP CNc1cc(NC[C@H](C2CC2)[NH+](C)C)nc[nH+]1 ZINC000892345726 582863700 /nfs/dbraw/zinc/86/37/00/582863700.db2.gz RYNRWIZWSCMLGJ-SNVBAGLBSA-N 2 1 235.335 1.270 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000892517408 582905186 /nfs/dbraw/zinc/90/51/86/582905186.db2.gz JNALGORINFYTGK-LLVKDONJSA-N 2 1 230.352 1.258 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000892517408 582905182 /nfs/dbraw/zinc/90/51/82/582905182.db2.gz JNALGORINFYTGK-LLVKDONJSA-N 2 1 230.352 1.258 20 0 BDADMP CC(=O)N[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852755581 583017184 /nfs/dbraw/zinc/01/71/84/583017184.db2.gz UNKMNBTXASQCNZ-ZDUSSCGKSA-N 2 1 241.379 1.106 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CCCCO ZINC000390403500 583107818 /nfs/dbraw/zinc/10/78/18/583107818.db2.gz ATLPTYOBHMRYGW-QWHCGFSZSA-N 2 1 230.396 1.857 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnccn1 ZINC000856771895 588877137 /nfs/dbraw/zinc/87/71/37/588877137.db2.gz MCJKCLGHPBLXDA-UHFFFAOYSA-N 2 1 245.330 1.552 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C[C@@H]1C ZINC000414982963 583441626 /nfs/dbraw/zinc/44/16/26/583441626.db2.gz ZOQGQPBEQUMPGM-RFGFWPKPSA-N 2 1 239.407 1.304 20 0 BDADMP c1nc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c[nH]1 ZINC000894575363 583487063 /nfs/dbraw/zinc/48/70/63/583487063.db2.gz FGDZHQGXZUOFHG-UHFFFAOYSA-N 3 1 234.347 1.374 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3CO)CC[C@@H]21 ZINC000895022068 583569429 /nfs/dbraw/zinc/56/94/29/583569429.db2.gz JYDGGGJQCVRBSZ-YPMHNXCESA-N 2 1 247.342 1.104 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857872167 588917669 /nfs/dbraw/zinc/91/76/69/588917669.db2.gz HVACCYUHAFIQQL-UHTWSYAYSA-N 2 1 248.374 1.717 20 0 BDADMP Cc1coc(C[N@H+](C)CC2CN(C)C2)c1 ZINC000895260631 583634203 /nfs/dbraw/zinc/63/42/03/583634203.db2.gz VFNKHBRCXUPLSQ-UHFFFAOYSA-N 2 1 208.305 1.581 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCc3nccnc3C2)CC1 ZINC000895456469 583677326 /nfs/dbraw/zinc/67/73/26/583677326.db2.gz JZBWXACUNYXTAJ-UHFFFAOYSA-N 2 1 246.358 1.177 20 0 BDADMP C[C@@H]1[C@H](Nc2cc(N(C)C)ncn2)CC[N@H+]1C ZINC000895736011 583717809 /nfs/dbraw/zinc/71/78/09/583717809.db2.gz YWAFZKHSOMQCHK-NXEZZACHSA-N 2 1 235.335 1.047 20 0 BDADMP CN1CC[C@@H]1CNc1nccc(N2CCCC2)n1 ZINC000895772265 583725386 /nfs/dbraw/zinc/72/53/86/583725386.db2.gz ZQWZLFYVLVVTLL-LLVKDONJSA-N 2 1 247.346 1.193 20 0 BDADMP C[C@H]1[C@@H](NCc2cnn(C)c2C2CC2)CC[N@@H+]1C ZINC000896555019 583812092 /nfs/dbraw/zinc/81/20/92/583812092.db2.gz WQJKMFCYOKIDKA-GWCFXTLKSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H]1[C@@H](NCc2cnn(C)c2C2CC2)CC[N@H+]1C ZINC000896555019 583812096 /nfs/dbraw/zinc/81/20/96/583812096.db2.gz WQJKMFCYOKIDKA-GWCFXTLKSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H]1[C@@H](NCc2cn(C)nc2C2CC2)CC[N@@H+]1C ZINC000896554528 583812319 /nfs/dbraw/zinc/81/23/19/583812319.db2.gz UTOZHNCVFWWLQG-GWCFXTLKSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H]1[C@@H](NCc2cn(C)nc2C2CC2)CC[N@H+]1C ZINC000896554528 583812322 /nfs/dbraw/zinc/81/23/22/583812322.db2.gz UTOZHNCVFWWLQG-GWCFXTLKSA-N 2 1 248.374 1.480 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)C2CC2)CC1(C)C ZINC000858144166 588935152 /nfs/dbraw/zinc/93/51/52/588935152.db2.gz IKVWXJITCZUESH-STQMWFEESA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2CC[NH2+]CC2)O1 ZINC000232018111 583849169 /nfs/dbraw/zinc/84/91/69/583849169.db2.gz AJZYNOCKPXLSPA-PWSUYJOCSA-N 2 1 212.337 1.238 20 0 BDADMP C[NH+](C)C1CC(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858185763 588937678 /nfs/dbraw/zinc/93/76/78/588937678.db2.gz YDABQVKHUMNRPK-PNESKVBLSA-N 2 1 239.407 1.541 20 0 BDADMP OCc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000858355832 588948378 /nfs/dbraw/zinc/94/83/78/588948378.db2.gz WNGXHJPZPGOEGY-OCCSQVGLSA-N 2 1 247.342 1.613 20 0 BDADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000864465572 584008345 /nfs/dbraw/zinc/00/83/45/584008345.db2.gz AADGIMUGXMECMU-ZYHUDNBSSA-N 2 1 238.379 1.383 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)n1C ZINC000897620378 584032500 /nfs/dbraw/zinc/03/25/00/584032500.db2.gz ODOUDQRBVSNJQA-OCCSQVGLSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1C ZINC000897620378 584032501 /nfs/dbraw/zinc/03/25/01/584032501.db2.gz ODOUDQRBVSNJQA-OCCSQVGLSA-N 2 1 248.374 1.112 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C2CC2)CC[N@H+]1C ZINC000898200281 584099460 /nfs/dbraw/zinc/09/94/60/584099460.db2.gz VOFOYVRPXZQXPU-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP CO[C@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)C1CC1 ZINC000898306565 584109693 /nfs/dbraw/zinc/10/96/93/584109693.db2.gz MGJAFQIZWDNOKE-CYBMUJFWSA-N 2 1 242.407 1.931 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899265780 584189344 /nfs/dbraw/zinc/18/93/44/584189344.db2.gz HRZPCLMGCCLDGX-JTQLQIEISA-N 2 1 249.362 1.494 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899266405 584189513 /nfs/dbraw/zinc/18/95/13/584189513.db2.gz BAUMSGGZTAMCNG-NSHDSACASA-N 2 1 240.395 1.631 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321355 584552767 /nfs/dbraw/zinc/55/27/67/584552767.db2.gz UVNQKOCWKJPEDI-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ncn1 ZINC000902371254 584566265 /nfs/dbraw/zinc/56/62/65/584566265.db2.gz OGYFHKUIMPLGII-GFCCVEGCSA-N 2 1 248.374 1.653 20 0 BDADMP CSCC1CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902406968 584573796 /nfs/dbraw/zinc/57/37/96/584573796.db2.gz OLMBBGFWVITZQG-UHFFFAOYSA-N 2 1 228.405 1.989 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000902406585 584574368 /nfs/dbraw/zinc/57/43/68/584574368.db2.gz OIJTVTPWHSDLLY-WDEREUQCSA-N 2 1 214.328 1.986 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390106 584580950 /nfs/dbraw/zinc/58/09/50/584580950.db2.gz HCPVGZAJLDKXHJ-QWRGUYRKSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000902416632 584590284 /nfs/dbraw/zinc/59/02/84/584590284.db2.gz VFWVBYZTTRQVCY-VIFPVBQESA-N 2 1 234.299 1.557 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000902446176 584593874 /nfs/dbraw/zinc/59/38/74/584593874.db2.gz SGDYNZYBLKPIFD-QWRGUYRKSA-N 2 1 208.349 1.907 20 0 BDADMP COC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000902443217 584598200 /nfs/dbraw/zinc/59/82/00/584598200.db2.gz KRRPVZKADAIPJR-OLZOCXBDSA-N 2 1 240.391 1.779 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H](C)C1 ZINC000902472934 584601096 /nfs/dbraw/zinc/60/10/96/584601096.db2.gz LZPMZDLMKOMZNI-PEBLQZBPSA-N 2 1 237.391 1.199 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902474647 584601979 /nfs/dbraw/zinc/60/19/79/584601979.db2.gz HEYJNYPHODZYKI-RXGFPQBGSA-N 2 1 238.375 1.673 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000902447804 584604730 /nfs/dbraw/zinc/60/47/30/584604730.db2.gz VVJSTBOJIUJOHJ-AVGNSLFASA-N 2 1 239.407 1.304 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000902447594 584604933 /nfs/dbraw/zinc/60/49/33/584604933.db2.gz ZZPOEGGFWCIORF-NWDGAFQWSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902448563 584605841 /nfs/dbraw/zinc/60/58/41/584605841.db2.gz GNNAPCYBSNTHML-WXHSDQCUSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CCC(C)(C)C1 ZINC000902456382 584610185 /nfs/dbraw/zinc/61/01/85/584610185.db2.gz OMMUHHKQWYTZDT-OLZOCXBDSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902458669 584610926 /nfs/dbraw/zinc/61/09/26/584610926.db2.gz XEXZINBMOYURHX-SJHCENCUSA-N 2 1 208.349 1.763 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(C)C ZINC000902471508 584617297 /nfs/dbraw/zinc/61/72/97/584617297.db2.gz PRQJXPCADCBDTG-QCNOEVLYSA-N 2 1 212.337 1.140 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCCCC[NH2+]2)CC[N@H+]1C ZINC000902481204 584623180 /nfs/dbraw/zinc/62/31/80/584623180.db2.gz BGTCMQOQECQYLX-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098914 584726872 /nfs/dbraw/zinc/72/68/72/584726872.db2.gz VIBAQUSRMGDMQT-CRMUJIHISA-N 2 1 238.375 1.505 20 0 BDADMP OC/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903201676 584735431 /nfs/dbraw/zinc/73/54/31/584735431.db2.gz ZLVCQGLVYUSTEI-XODHIHNUSA-N 2 1 236.359 1.282 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C)[C@H](C)C1 ZINC000903321604 584747098 /nfs/dbraw/zinc/74/70/98/584747098.db2.gz AXOQWOHIYNEDNS-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427185 584761019 /nfs/dbraw/zinc/76/10/19/584761019.db2.gz UNAWTYMNCGFLLD-GRYCIOLGSA-N 3 1 213.369 1.077 20 0 BDADMP C[C@@H](N)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421708 584763652 /nfs/dbraw/zinc/76/36/52/584763652.db2.gz RXNWGNSCCPXBBY-NDBYEHHHSA-N 2 1 225.380 1.316 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421708 584763654 /nfs/dbraw/zinc/76/36/54/584763654.db2.gz RXNWGNSCCPXBBY-NDBYEHHHSA-N 2 1 225.380 1.316 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000903441343 584763856 /nfs/dbraw/zinc/76/38/56/584763856.db2.gz OCZBXJKOFAGDHB-ZOBORPQBSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000903441343 584763857 /nfs/dbraw/zinc/76/38/57/584763857.db2.gz OCZBXJKOFAGDHB-ZOBORPQBSA-N 2 1 238.375 1.343 20 0 BDADMP CCC[C@@](C)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(=O)OC ZINC000903458653 584765033 /nfs/dbraw/zinc/76/50/33/584765033.db2.gz GJTVKLHFCOOBRN-NTZNESFSSA-N 2 1 242.363 1.435 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000903444281 584769500 /nfs/dbraw/zinc/76/95/00/584769500.db2.gz RMRDDTQAAUVAHF-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903446080 584770180 /nfs/dbraw/zinc/77/01/80/584770180.db2.gz SQLGJHLPPVPXTC-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP COC[C@@H](C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C(C)C ZINC000903453630 584772836 /nfs/dbraw/zinc/77/28/36/584772836.db2.gz FOVOIPWDMAGATE-BFHYXJOUSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@@H](C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C(C)C ZINC000903453630 584772838 /nfs/dbraw/zinc/77/28/38/584772838.db2.gz FOVOIPWDMAGATE-BFHYXJOUSA-N 2 1 240.391 1.589 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903454395 584773665 /nfs/dbraw/zinc/77/36/65/584773665.db2.gz BIMBVPSJVNRTKE-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000903471785 584775403 /nfs/dbraw/zinc/77/54/03/584775403.db2.gz MOVQDVKZZNGDOY-QWHCGFSZSA-N 2 1 238.375 1.676 20 0 BDADMP CC1(C)CO[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000903472925 584775888 /nfs/dbraw/zinc/77/58/88/584775888.db2.gz XDRWXAOOBQSXDP-NEPJUHHUSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)O1 ZINC000903481576 584778019 /nfs/dbraw/zinc/77/80/19/584778019.db2.gz GVOZRDUGCRJCDQ-FRRDWIJNSA-N 2 1 238.375 1.818 20 0 BDADMP COC(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484827 584779388 /nfs/dbraw/zinc/77/93/88/584779388.db2.gz WJHRAZUMDAYFCF-NSHDSACASA-N 2 1 240.347 1.204 20 0 BDADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903730070 584793162 /nfs/dbraw/zinc/79/31/62/584793162.db2.gz TXZPATWJVCBICZ-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732309 584793203 /nfs/dbraw/zinc/79/32/03/584793203.db2.gz FGMQOYPNYKOWLZ-ZOBORPQBSA-N 2 1 238.375 1.485 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC000903752955 584796178 /nfs/dbraw/zinc/79/61/78/584796178.db2.gz QOHGOCJTIZQGFG-OLZOCXBDSA-N 3 1 239.407 1.354 20 0 BDADMP C[C@@H](O)C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767189 584797802 /nfs/dbraw/zinc/79/78/02/584797802.db2.gz FFNNBRUJRLMCHR-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP CC12CC(C1)C[N@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769316 584798113 /nfs/dbraw/zinc/79/81/13/584798113.db2.gz CKMCBUOHYYLXEJ-HHTDUIENSA-N 2 1 236.359 1.239 20 0 BDADMP CC1CC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000903781479 584799828 /nfs/dbraw/zinc/79/98/28/584799828.db2.gz RMUWTTWWRYISFL-IFWUJCSASA-N 2 1 208.349 1.859 20 0 BDADMP CC1CC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000903781479 584799829 /nfs/dbraw/zinc/79/98/29/584799829.db2.gz RMUWTTWWRYISFL-IFWUJCSASA-N 2 1 208.349 1.859 20 0 BDADMP CCOCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903796003 584801172 /nfs/dbraw/zinc/80/11/72/584801172.db2.gz QUGCTBPSLMRKPJ-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903796003 584801173 /nfs/dbraw/zinc/80/11/73/584801173.db2.gz QUGCTBPSLMRKPJ-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1CCCCO1 ZINC000903801514 584802172 /nfs/dbraw/zinc/80/21/72/584802172.db2.gz OBFFQOKQAUSINT-BFHYXJOUSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1CCCCO1 ZINC000903801514 584802173 /nfs/dbraw/zinc/80/21/73/584802173.db2.gz OBFFQOKQAUSINT-BFHYXJOUSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CCCCCC[NH3+] ZINC000903831433 584805973 /nfs/dbraw/zinc/80/59/73/584805973.db2.gz JUKBZPUUXCTGNC-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOC(F)F)C2 ZINC000903838846 584807411 /nfs/dbraw/zinc/80/74/11/584807411.db2.gz FYXAIKAZENUFBQ-YIZRAAEISA-N 2 1 220.263 1.037 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC000903842994 584807639 /nfs/dbraw/zinc/80/76/39/584807639.db2.gz ZYYOEZGZXJLTMK-MOFNKJLISA-N 2 1 200.713 1.551 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOCC(F)F)C2 ZINC000903843737 584807725 /nfs/dbraw/zinc/80/77/25/584807725.db2.gz RMRKDELNBZCHFJ-GUBZILKMSA-N 2 1 234.290 1.080 20 0 BDADMP CC1(C)CO[C@H](C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903861270 584811782 /nfs/dbraw/zinc/81/17/82/584811782.db2.gz WTSOEJFAPMZLTR-DYEKYZERSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903861270 584811784 /nfs/dbraw/zinc/81/17/84/584811784.db2.gz WTSOEJFAPMZLTR-DYEKYZERSA-N 2 1 238.375 1.615 20 0 BDADMP CC1CC(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903864087 584812953 /nfs/dbraw/zinc/81/29/53/584812953.db2.gz QYMSSMUWJMNIPQ-IFWUJCSASA-N 2 1 208.349 1.846 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903864087 584812955 /nfs/dbraw/zinc/81/29/55/584812955.db2.gz QYMSSMUWJMNIPQ-IFWUJCSASA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H](O)c1ccccc1 ZINC000903863422 584813035 /nfs/dbraw/zinc/81/30/35/584813035.db2.gz LVBOHLAJUKZXOP-RBSFLKMASA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H](O)c1ccccc1 ZINC000903863422 584813036 /nfs/dbraw/zinc/81/30/36/584813036.db2.gz LVBOHLAJUKZXOP-RBSFLKMASA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC[C@@H]1CCCCO1 ZINC000903861989 584813197 /nfs/dbraw/zinc/81/31/97/584813197.db2.gz ZTYZLDYGLQSZJL-MELADBBJSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC[C@@H]1CCCCO1 ZINC000903861989 584813198 /nfs/dbraw/zinc/81/31/98/584813198.db2.gz ZTYZLDYGLQSZJL-MELADBBJSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC[C@H]1CCCCO1 ZINC000903861990 584813415 /nfs/dbraw/zinc/81/34/15/584813415.db2.gz ZTYZLDYGLQSZJL-MGPQQGTHSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC[C@H]1CCCCO1 ZINC000903861990 584813416 /nfs/dbraw/zinc/81/34/16/584813416.db2.gz ZTYZLDYGLQSZJL-MGPQQGTHSA-N 2 1 238.375 1.759 20 0 BDADMP OC[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903888445 584813807 /nfs/dbraw/zinc/81/38/07/584813807.db2.gz CDOORBCKMIRLHM-LBPRGKRZSA-N 2 1 246.354 1.147 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C(C)C ZINC000903869272 584814397 /nfs/dbraw/zinc/81/43/97/584814397.db2.gz FTKWEVVAULZXBN-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP C1=CCC(C[N@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903872283 584815444 /nfs/dbraw/zinc/81/54/44/584815444.db2.gz YGVKBXIITRQZCY-CYBMUJFWSA-N 2 1 206.333 1.781 20 0 BDADMP C[C@]12CSC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903871083 584815605 /nfs/dbraw/zinc/81/56/05/584815605.db2.gz MZQROQVZRVWKNS-UTUOFQBUSA-N 2 1 226.389 1.423 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903871083 584815606 /nfs/dbraw/zinc/81/56/06/584815606.db2.gz MZQROQVZRVWKNS-UTUOFQBUSA-N 2 1 226.389 1.423 20 0 BDADMP CC(C)[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873205 584815859 /nfs/dbraw/zinc/81/58/59/584815859.db2.gz MQRKHTISXVZOMM-LLVKDONJSA-N 2 1 237.351 1.043 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874247 584816153 /nfs/dbraw/zinc/81/61/53/584816153.db2.gz VYYOJEZEJOOPPW-FUDCBSFHSA-N 3 1 237.391 1.058 20 0 BDADMP CCC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903879685 584817135 /nfs/dbraw/zinc/81/71/35/584817135.db2.gz HGRIAQSRSFBAPW-LLVKDONJSA-N 2 1 237.351 1.044 20 0 BDADMP CC[C@H]1C(=O)NCCC[N@@H+]1CCCCCC[NH3+] ZINC000903883155 584818187 /nfs/dbraw/zinc/81/81/87/584818187.db2.gz UBSLORPFGVOADZ-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC000903912209 584822357 /nfs/dbraw/zinc/82/23/57/584822357.db2.gz BNMFNYKFELLIAB-ZVLQPQRZSA-N 2 1 238.375 1.220 20 0 BDADMP COC(=O)C(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903927811 584824366 /nfs/dbraw/zinc/82/43/66/584824366.db2.gz UDVHSUTUFHXCMU-FGWVZKOKSA-N 2 1 240.347 1.058 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931997 584824861 /nfs/dbraw/zinc/82/48/61/584824861.db2.gz KXAUTRANNGGSIF-RFLLOBDJSA-N 2 1 237.391 1.329 20 0 BDADMP CC[N@H+]1CC[C@@H](NCc2cc(N)cc[nH+]2)[C@@H](C)C1 ZINC000903950165 584830664 /nfs/dbraw/zinc/83/06/64/584830664.db2.gz JBYQWMVQHAAIFU-SMDDNHRTSA-N 2 1 248.374 1.484 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975125 584832720 /nfs/dbraw/zinc/83/27/20/584832720.db2.gz XRVCQCHTKQOZTI-MWLCHTKSSA-N 2 1 222.336 1.053 20 0 BDADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903965085 584834459 /nfs/dbraw/zinc/83/44/59/584834459.db2.gz ZPOAXLPESVWMRR-CKYFFXLPSA-N 2 1 224.373 1.877 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299369 584860322 /nfs/dbraw/zinc/86/03/22/584860322.db2.gz BZYZQFRLOVLCAY-OAHLLOKOSA-N 3 1 247.386 1.577 20 0 BDADMP C[NH2+]C[C@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299369 584860324 /nfs/dbraw/zinc/86/03/24/584860324.db2.gz BZYZQFRLOVLCAY-OAHLLOKOSA-N 2 1 247.386 1.577 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000904297376 584860331 /nfs/dbraw/zinc/86/03/31/584860331.db2.gz KQNPVRIPXDJSMK-IGQOVBAYSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@H](O)[C@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904331752 584865965 /nfs/dbraw/zinc/86/59/65/584865965.db2.gz LHPOSULYCINRKK-AVGNSLFASA-N 2 1 242.407 1.843 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904331752 584865966 /nfs/dbraw/zinc/86/59/66/584865966.db2.gz LHPOSULYCINRKK-AVGNSLFASA-N 2 1 242.407 1.843 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341796 584867036 /nfs/dbraw/zinc/86/70/36/584867036.db2.gz WBYCLVDSBDGGLB-XQQFMLRXSA-N 3 1 225.380 1.140 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)[C@@H](C)O1 ZINC000904345770 584868148 /nfs/dbraw/zinc/86/81/48/584868148.db2.gz IZMPNKNBJDHSEG-OOCWMUITSA-N 2 1 212.337 1.221 20 0 BDADMP C[C@]1(C[N@H+]2CCOCC3(CC3)C2)CCC[NH2+]C1 ZINC000904346303 584868376 /nfs/dbraw/zinc/86/83/76/584868376.db2.gz QLYFNKKRZTWOPO-ZDUSSCGKSA-N 2 1 238.375 1.489 20 0 BDADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)C1CC([NH3+])C1 ZINC000904349591 584869046 /nfs/dbraw/zinc/86/90/46/584869046.db2.gz BBYJHCVBXMJUPT-UHFFFAOYSA-N 3 1 219.332 1.067 20 0 BDADMP CN(Cc1ccc(C[NH3+])cc1)C1CC([NH3+])C1 ZINC000904349591 584869047 /nfs/dbraw/zinc/86/90/47/584869047.db2.gz BBYJHCVBXMJUPT-UHFFFAOYSA-N 2 1 219.332 1.067 20 0 BDADMP CC(C)(C)CC[C@H](N)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000904354849 584870692 /nfs/dbraw/zinc/87/06/92/584870692.db2.gz JTCDUNRFUXVCLP-AVGNSLFASA-N 2 1 241.423 1.857 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Oc3ccccc3)C2)C1 ZINC000904373119 584873933 /nfs/dbraw/zinc/87/39/33/584873933.db2.gz BABPVPATCBLWES-GUTXKFCHSA-N 2 1 246.354 1.877 20 0 BDADMP Cn1ccc([C@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904388368 584874810 /nfs/dbraw/zinc/87/48/10/584874810.db2.gz IAJVEHZOMHFWSH-RWMBFGLXSA-N 2 1 248.374 1.337 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)C1 ZINC000904388577 584874876 /nfs/dbraw/zinc/87/48/76/584874876.db2.gz LANGLWSVEHXLKJ-ARLBYUKCSA-N 2 1 242.366 1.997 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904378335 584876033 /nfs/dbraw/zinc/87/60/33/584876033.db2.gz ARQRPYFIMIUDRN-OLZOCXBDSA-N 3 1 227.396 1.339 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)CC[NH2+]1 ZINC000904407108 584878823 /nfs/dbraw/zinc/87/88/23/584878823.db2.gz NITMXAUTXWEEQC-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@H]1C[NH3+] ZINC000904410287 584879033 /nfs/dbraw/zinc/87/90/33/584879033.db2.gz OACHMORCFNDFGG-IUCAKERBSA-N 2 1 240.376 1.142 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410602 584879333 /nfs/dbraw/zinc/87/93/33/584879333.db2.gz PPAIRWRQTKHFHN-HZSPNIEDSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407285 584879366 /nfs/dbraw/zinc/87/93/66/584879366.db2.gz SKUZCIDWLMVHEF-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904411087 584879693 /nfs/dbraw/zinc/87/96/93/584879693.db2.gz JYDYSCQYVGDWFK-AAEUAGOBSA-N 2 1 236.363 1.320 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412405 584879898 /nfs/dbraw/zinc/87/98/98/584879898.db2.gz VHSVDSQSNCJDTO-ONGXEEELSA-N 2 1 239.388 1.868 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838859182 585075528 /nfs/dbraw/zinc/07/55/28/585075528.db2.gz DGCOSJJRXHWWJZ-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000761079506 585406853 /nfs/dbraw/zinc/40/68/53/585406853.db2.gz ZXMDERBLMWPIFG-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000761079506 585406854 /nfs/dbraw/zinc/40/68/54/585406854.db2.gz ZXMDERBLMWPIFG-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000761079506 585406855 /nfs/dbraw/zinc/40/68/55/585406855.db2.gz ZXMDERBLMWPIFG-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000765140720 585481747 /nfs/dbraw/zinc/48/17/47/585481747.db2.gz ALTSHCTUUOMQKN-CQSZACIVSA-N 2 1 237.391 1.155 20 0 BDADMP CC(C)(C)OC1CC([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000775937100 585688073 /nfs/dbraw/zinc/68/80/73/585688073.db2.gz BKDFMIMMGRXPSI-MPEURRAXSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@H](CCO)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000779341159 585751928 /nfs/dbraw/zinc/75/19/28/585751928.db2.gz MLAJPKWETLIMAZ-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCO)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000779341159 585751929 /nfs/dbraw/zinc/75/19/29/585751929.db2.gz MLAJPKWETLIMAZ-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCO)[NH+]1CCCC1 ZINC000779382799 585752731 /nfs/dbraw/zinc/75/27/31/585752731.db2.gz DTIIFLGWMJASMJ-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782475946 585818785 /nfs/dbraw/zinc/81/87/85/585818785.db2.gz PKKVSNRANBFUEY-LLVKDONJSA-N 2 1 214.353 1.295 20 0 BDADMP C[C@H]1CC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000783240803 585831855 /nfs/dbraw/zinc/83/18/55/585831855.db2.gz RQVMGUWTCGXSOD-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788471857 585925385 /nfs/dbraw/zinc/92/53/85/585925385.db2.gz VLWUZWSNFZYCMG-LLVKDONJSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc[nH]c(=O)c1 ZINC000788694062 585929127 /nfs/dbraw/zinc/92/91/27/585929127.db2.gz UQGPNPKQGPRXBG-LLVKDONJSA-N 2 1 247.342 1.700 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)n(C)n1 ZINC000793555098 586022688 /nfs/dbraw/zinc/02/26/88/586022688.db2.gz AGCVYODSHCNTKT-LLVKDONJSA-N 2 1 247.346 1.355 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCO)C2)C1 ZINC000815145518 586670269 /nfs/dbraw/zinc/67/02/69/586670269.db2.gz XIQVWSLYIBYTNS-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCO)C2)C1 ZINC000815145518 586670270 /nfs/dbraw/zinc/67/02/70/586670270.db2.gz XIQVWSLYIBYTNS-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCO)C2)C1 ZINC000815145518 586670272 /nfs/dbraw/zinc/67/02/72/586670272.db2.gz XIQVWSLYIBYTNS-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817893025 586834023 /nfs/dbraw/zinc/83/40/23/586834023.db2.gz BNECAQXPKCMWPX-KKUMJFAQSA-N 2 1 248.370 1.840 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000817912273 586837910 /nfs/dbraw/zinc/83/79/10/586837910.db2.gz FTLFXAUBJNLQTB-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000817910074 586837958 /nfs/dbraw/zinc/83/79/58/586837958.db2.gz JGVHVFWYNXTZTL-MELADBBJSA-N 2 1 234.343 1.498 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817913825 586839517 /nfs/dbraw/zinc/83/95/17/586839517.db2.gz MFJLOUKNYDGELK-GMXVVIOVSA-N 2 1 222.332 1.941 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC=CO1)[C@H]1CCC[NH2+]1 ZINC000817924771 586841640 /nfs/dbraw/zinc/84/16/40/586841640.db2.gz XOVHSNACCVRKJE-GRYCIOLGSA-N 2 1 210.321 1.409 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000817943163 586846510 /nfs/dbraw/zinc/84/65/10/586846510.db2.gz JWEKOOVFALPLRP-LLVKDONJSA-N 2 1 222.336 1.376 20 0 BDADMP [NH3+]CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817947609 586847145 /nfs/dbraw/zinc/84/71/45/586847145.db2.gz CBDDFVNZRLWXOC-KBPBESRZSA-N 3 1 233.359 1.157 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CCC[NH2+]C(C)C)n(C)n1 ZINC000817953592 586848648 /nfs/dbraw/zinc/84/86/48/586848648.db2.gz ORTBOGDJUWWNNV-LBPRGKRZSA-N 2 1 238.379 1.767 20 0 BDADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000819151911 586933717 /nfs/dbraw/zinc/93/37/17/586933717.db2.gz HSICJGYVBPFAKW-JSGCOSHPSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820803413 587072907 /nfs/dbraw/zinc/07/29/07/587072907.db2.gz SSRQAYXQLQGSOR-KVAMGIGCSA-N 2 1 224.348 1.115 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@@H+](C)CCCn2ccnc2)C1 ZINC000821396744 587116363 /nfs/dbraw/zinc/11/63/63/587116363.db2.gz UVKHZHIPGREVRE-CHWSQXEVSA-N 2 1 237.347 1.773 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCCC1 ZINC000823184284 587206881 /nfs/dbraw/zinc/20/68/81/587206881.db2.gz CSQGPBYNYWNEIT-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971246 587640784 /nfs/dbraw/zinc/64/07/84/587640784.db2.gz UHTVMTQBSFPQAG-AAEUAGOBSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1cc(C[NH2+]C2CC[NH2+]CC2)cnc1Cl ZINC000841026634 587935694 /nfs/dbraw/zinc/93/56/94/587935694.db2.gz MJNAIZVCAUYSAG-UHFFFAOYSA-N 2 1 239.750 1.885 20 0 BDADMP CC1([NH2+]Cc2ccc(Cl)nc2)CC[NH2+]CC1 ZINC000841065567 587942875 /nfs/dbraw/zinc/94/28/75/587942875.db2.gz QNKPSIOSZJUBRB-UHFFFAOYSA-N 2 1 239.750 1.967 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1[NH3+] ZINC000842475007 588028858 /nfs/dbraw/zinc/02/88/58/588028858.db2.gz HUPADCGFKOWCOJ-VXGBXAGGSA-N 2 1 213.369 1.175 20 0 BDADMP C[C@@H]1CN(CCCCCCC[NH3+])C[C@H]1[NH3+] ZINC000842475007 588028860 /nfs/dbraw/zinc/02/88/60/588028860.db2.gz HUPADCGFKOWCOJ-VXGBXAGGSA-N 2 1 213.369 1.175 20 0 BDADMP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H]1N ZINC000842475007 588028862 /nfs/dbraw/zinc/02/88/62/588028862.db2.gz HUPADCGFKOWCOJ-VXGBXAGGSA-N 2 1 213.369 1.175 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1N ZINC000842475007 588028864 /nfs/dbraw/zinc/02/88/64/588028864.db2.gz HUPADCGFKOWCOJ-VXGBXAGGSA-N 2 1 213.369 1.175 20 0 BDADMP CC[NH+](CC)Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842665795 588050781 /nfs/dbraw/zinc/05/07/81/588050781.db2.gz AVURZRYCZRNRDH-JTQLQIEISA-N 2 1 238.335 1.378 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843057890 588077874 /nfs/dbraw/zinc/07/78/74/588077874.db2.gz NLRHBZVDAGCVGU-DGCLKSJQSA-N 2 1 246.354 1.886 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC000843055535 588077994 /nfs/dbraw/zinc/07/79/94/588077994.db2.gz GJVFYGSAMHYBMB-UHFFFAOYSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@@H+](Cc1ccc(N)nc1)C1CCC([NH3+])CC1 ZINC000843055960 588078060 /nfs/dbraw/zinc/07/80/60/588078060.db2.gz SWHQDFLKWPHWHN-UHFFFAOYSA-N 2 1 234.347 1.366 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000843126179 588082231 /nfs/dbraw/zinc/08/22/31/588082231.db2.gz NVKPLBNDMRXQGQ-FRRDWIJNSA-N 3 1 225.380 1.106 20 0 BDADMP Nc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000843119881 588083568 /nfs/dbraw/zinc/08/35/68/588083568.db2.gz JWWGJDPHFDWWBO-UHFFFAOYSA-N 2 1 246.358 1.239 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843129631 588085422 /nfs/dbraw/zinc/08/54/22/588085422.db2.gz QTZOXYBDHFIIGX-VXGBXAGGSA-N 3 1 213.369 1.093 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343658 588100733 /nfs/dbraw/zinc/10/07/33/588100733.db2.gz BUVJLDHPQDCFQB-STQMWFEESA-N 2 1 227.396 1.755 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843352115 588102791 /nfs/dbraw/zinc/10/27/91/588102791.db2.gz FVHYNHSPPWJLFF-KGLIPLIRSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843352115 588102792 /nfs/dbraw/zinc/10/27/92/588102792.db2.gz FVHYNHSPPWJLFF-KGLIPLIRSA-N 3 1 239.407 1.722 20 0 BDADMP C[C@H]1C[N@@H+](CCOCC[NH3+])Cc2ccccc21 ZINC000843356270 588103107 /nfs/dbraw/zinc/10/31/07/588103107.db2.gz LCDGUMMABDSZEW-LBPRGKRZSA-N 2 1 234.343 1.581 20 0 BDADMP FCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386056 588105342 /nfs/dbraw/zinc/10/53/42/588105342.db2.gz BISCPNFQVISLMP-RYUDHWBXSA-N 2 1 214.328 1.668 20 0 BDADMP C[C@@H]1NCC[N@@H+](CCCCCCC[NH3+])[C@H]1C ZINC000843377347 588105464 /nfs/dbraw/zinc/10/54/64/588105464.db2.gz OSXIPHSCSFIINF-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]1[NH2+]CCN(CCCCCCC[NH3+])[C@H]1C ZINC000843377347 588105466 /nfs/dbraw/zinc/10/54/66/588105466.db2.gz OSXIPHSCSFIINF-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C1CCC([NH3+])CC1 ZINC000846218049 588260837 /nfs/dbraw/zinc/26/08/37/588260837.db2.gz RQOUQFUJNREEPH-UHFFFAOYSA-N 3 1 227.396 1.707 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C/C=C\Cl ZINC000846220579 588261028 /nfs/dbraw/zinc/26/10/28/588261028.db2.gz LQZAQWHDWQOSRQ-LVCFMKKZSA-N 2 1 202.729 1.717 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000846220809 588261039 /nfs/dbraw/zinc/26/10/39/588261039.db2.gz VFBBNUKNPVROSP-STQMWFEESA-N 2 1 227.396 1.565 20 0 BDADMP C[C@]1(F)CNCC[N@H+](CCCCCC[NH3+])C1 ZINC000846221280 588261124 /nfs/dbraw/zinc/26/11/24/588261124.db2.gz WEADUICWYWTRQK-LBPRGKRZSA-N 3 1 231.359 1.139 20 0 BDADMP C[C@]1(F)CNCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846221280 588261125 /nfs/dbraw/zinc/26/11/25/588261125.db2.gz WEADUICWYWTRQK-LBPRGKRZSA-N 2 1 231.359 1.139 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846221245 588261338 /nfs/dbraw/zinc/26/13/38/588261338.db2.gz VCKVHBBSFBFHMU-LBPRGKRZSA-N 3 1 213.369 1.176 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCC[NH3+] ZINC000846708851 588283855 /nfs/dbraw/zinc/28/38/55/588283855.db2.gz WJTOGKXSMYJXMM-NWDGAFQWSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@@H](O)C[N@@H+](CCCCCCC[NH3+])C1CC1 ZINC000848599696 588401539 /nfs/dbraw/zinc/40/15/39/588401539.db2.gz DHOGMLSAQQWHOK-GFCCVEGCSA-N 2 1 228.380 1.741 20 0 BDADMP C[C@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCC[C@H](C)C1 ZINC000848986956 588425734 /nfs/dbraw/zinc/42/57/34/588425734.db2.gz BREVXVCFWDEHMO-NWDGAFQWSA-N 2 1 238.379 1.337 20 0 BDADMP C[C@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCCC[C@H]1C ZINC000848987083 588426035 /nfs/dbraw/zinc/42/60/35/588426035.db2.gz HTCXHDVIFJDGLJ-VXGBXAGGSA-N 2 1 238.379 1.479 20 0 BDADMP CN(C)C(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000848987938 588426256 /nfs/dbraw/zinc/42/62/56/588426256.db2.gz QSXOQZBMRPNQPT-UHFFFAOYSA-N 2 1 226.368 1.337 20 0 BDADMP C[C@@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCCC[C@@H]1C ZINC000848987082 588426351 /nfs/dbraw/zinc/42/63/51/588426351.db2.gz HTCXHDVIFJDGLJ-RYUDHWBXSA-N 2 1 238.379 1.479 20 0 BDADMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NC2CCC2)C1 ZINC000848987717 588426430 /nfs/dbraw/zinc/42/64/30/588426430.db2.gz UTCMJAORGNEKBL-NSHDSACASA-N 2 1 238.379 1.385 20 0 BDADMP Cc1cccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)c1 ZINC000848996605 588428978 /nfs/dbraw/zinc/42/89/78/588428978.db2.gz JXPVVLKVESMQMP-NSHDSACASA-N 2 1 234.347 1.881 20 0 BDADMP CC(C)CCNC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997431 588429553 /nfs/dbraw/zinc/42/95/53/588429553.db2.gz HGJVCSQQNYYQKS-UHFFFAOYSA-N 2 1 226.368 1.241 20 0 BDADMP CC(C)CCNC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997431 588429554 /nfs/dbraw/zinc/42/95/54/588429554.db2.gz HGJVCSQQNYYQKS-UHFFFAOYSA-N 2 1 226.368 1.241 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])N(C)C1CC1)C(C)C ZINC000849000938 588430843 /nfs/dbraw/zinc/43/08/43/588430843.db2.gz GMZWUHNTYIEVFB-UHFFFAOYSA-N 2 1 226.368 1.335 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC ZINC000849000980 588430904 /nfs/dbraw/zinc/43/09/04/588430904.db2.gz KRAUVPAJIOJJRL-MNOVXSKESA-N 2 1 228.384 1.629 20 0 BDADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000849004376 588431484 /nfs/dbraw/zinc/43/14/84/588431484.db2.gz OCRAOSSOARILLG-LBPRGKRZSA-N 2 1 246.358 1.965 20 0 BDADMP CCCCNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004256 588431505 /nfs/dbraw/zinc/43/15/05/588431505.db2.gz JPTUGZBPANBPCC-NSHDSACASA-N 2 1 226.368 1.242 20 0 BDADMP [NH2+]=C(NCCc1ccccc1)NCC[NH+]1CCC1 ZINC000849014655 588436144 /nfs/dbraw/zinc/43/61/44/588436144.db2.gz KCVIRBNMXOHVQQ-UHFFFAOYSA-N 2 1 246.358 1.049 20 0 BDADMP CN(C)C(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000849023055 588439307 /nfs/dbraw/zinc/43/93/07/588439307.db2.gz ITEHBQJPIMMJRA-UHFFFAOYSA-N 2 1 226.368 1.194 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)F ZINC000849033602 588444023 /nfs/dbraw/zinc/44/40/23/588444023.db2.gz RHCFKFGDTJMLKO-WDEREUQCSA-N 2 1 244.358 1.333 20 0 BDADMP CCN(CC)C(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039366 588446787 /nfs/dbraw/zinc/44/67/87/588446787.db2.gz UMYMFCCBFABDJI-UHFFFAOYSA-N 2 1 240.395 1.727 20 0 BDADMP CN(C(=[NH2+])NCCCC[N@@H+](C)C1CC1)C1CC1 ZINC000849039613 588447099 /nfs/dbraw/zinc/44/70/99/588447099.db2.gz JWAWOXZAQBURLY-UHFFFAOYSA-N 2 1 238.379 1.479 20 0 BDADMP CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000849045613 588449652 /nfs/dbraw/zinc/44/96/52/588449652.db2.gz DDVNAINLDYBIBJ-OLZOCXBDSA-N 2 1 246.358 1.076 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000850514617 588555815 /nfs/dbraw/zinc/55/58/15/588555815.db2.gz OAUHOBORBKAQTO-RGHGFSEVSA-N 2 1 238.375 1.769 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851984390 588651506 /nfs/dbraw/zinc/65/15/06/588651506.db2.gz CJTZUZLDFOVZTC-NEPJUHHUSA-N 2 1 240.347 1.108 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851984390 588651507 /nfs/dbraw/zinc/65/15/07/588651507.db2.gz CJTZUZLDFOVZTC-NEPJUHHUSA-N 2 1 240.347 1.108 20 0 BDADMP CCc1nocc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000852743754 588698975 /nfs/dbraw/zinc/69/89/75/588698975.db2.gz IYAXBDDPIIDFMA-JTQLQIEISA-N 2 1 223.320 1.408 20 0 BDADMP CCc1nocc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000852743754 588698976 /nfs/dbraw/zinc/69/89/76/588698976.db2.gz IYAXBDDPIIDFMA-JTQLQIEISA-N 2 1 223.320 1.408 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOC(F)F ZINC000852750604 588699900 /nfs/dbraw/zinc/69/99/00/588699900.db2.gz ZUAYGJAUKCEGON-VGMNWLOBSA-N 2 1 222.279 1.202 20 0 BDADMP C1=CCC(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000852751382 588700368 /nfs/dbraw/zinc/70/03/68/588700368.db2.gz ZUHFPJOGXSUKFP-CYBMUJFWSA-N 2 1 206.333 1.781 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CCc1cccs1 ZINC000852755947 588700393 /nfs/dbraw/zinc/70/03/93/588700393.db2.gz NDGFSXIMIJJXHX-UHFFFAOYSA-N 2 1 222.357 1.714 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CCc1cccs1 ZINC000852755947 588700394 /nfs/dbraw/zinc/70/03/94/588700394.db2.gz NDGFSXIMIJJXHX-UHFFFAOYSA-N 2 1 222.357 1.714 20 0 BDADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863481309 589292837 /nfs/dbraw/zinc/29/28/37/589292837.db2.gz BWJICYNJSRTMMX-DGCLKSJQSA-N 2 1 248.374 1.225 20 0 BDADMP Cn1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000863642141 589305964 /nfs/dbraw/zinc/30/59/64/589305964.db2.gz SFKFAPCFDCIWLD-UHFFFAOYSA-N 2 1 221.348 1.727 20 0 BDADMP C[N@@H+](CC1=CCCOC1)C1CCC([NH3+])CC1 ZINC000863642361 589306855 /nfs/dbraw/zinc/30/68/55/589306855.db2.gz YWZDBUFQUHHULX-UHFFFAOYSA-N 2 1 224.348 1.535 20 0 BDADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000864451714 589365136 /nfs/dbraw/zinc/36/51/36/589365136.db2.gz DVJDWQLAWKBXGC-UTUOFQBUSA-N 2 1 238.379 1.383 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000864453367 589365490 /nfs/dbraw/zinc/36/54/90/589365490.db2.gz YYJHVJHDUGLCTE-GFCCVEGCSA-N 2 1 240.395 1.773 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])N[C@H]1C[C@@H]1C)C(C)C ZINC000864456776 589367481 /nfs/dbraw/zinc/36/74/81/589367481.db2.gz MHIVGPIGVKZECD-QWRGUYRKSA-N 2 1 226.368 1.239 20 0 BDADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000864457580 589367868 /nfs/dbraw/zinc/36/78/68/589367868.db2.gz FJVCDPYYTPJMNF-JQWIXIFHSA-N 2 1 238.379 1.383 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864468838 589372675 /nfs/dbraw/zinc/37/26/75/589372675.db2.gz JHHORLZXMIAELS-RYUDHWBXSA-N 2 1 240.395 1.487 20 0 BDADMP Cc1cccc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866206868 589480170 /nfs/dbraw/zinc/48/01/70/589480170.db2.gz UGLUJEYLIKBMPM-CHWSQXEVSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cccc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866206868 589480171 /nfs/dbraw/zinc/48/01/71/589480171.db2.gz UGLUJEYLIKBMPM-CHWSQXEVSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866208550 589480501 /nfs/dbraw/zinc/48/05/01/589480501.db2.gz NQYLPEIVXVZUOX-JSGCOSHPSA-N 2 1 231.343 1.920 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660759 589508392 /nfs/dbraw/zinc/50/83/92/589508392.db2.gz KWFKEOHWLIOYBW-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866702611 589513767 /nfs/dbraw/zinc/51/37/67/589513767.db2.gz DAFFQPRMVUBZLR-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH2+][C@@H](C)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800258 589819655 /nfs/dbraw/zinc/81/96/55/589819655.db2.gz BEWJPFCBRQBYIL-BFARCFIYSA-N 2 1 236.319 1.348 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)CC ZINC000872062421 589862490 /nfs/dbraw/zinc/86/24/90/589862490.db2.gz MPOSKLSLFKLXQW-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)CC ZINC000872062421 589862491 /nfs/dbraw/zinc/86/24/91/589862491.db2.gz MPOSKLSLFKLXQW-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141799 589882611 /nfs/dbraw/zinc/88/26/11/589882611.db2.gz TYXHQJXPBWBLBX-RYUDHWBXSA-N 2 1 224.348 1.226 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872145590 589883952 /nfs/dbraw/zinc/88/39/52/589883952.db2.gz UKGWWFHESCZCGS-FVCCEPFGSA-N 2 1 240.391 1.778 20 0 BDADMP CC1(C)CO[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000872145084 589884171 /nfs/dbraw/zinc/88/41/71/589884171.db2.gz ONFGQTMYCQAFLS-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC000872154919 589885903 /nfs/dbraw/zinc/88/59/03/589885903.db2.gz FHWDTQPUGZHXNL-LBPRGKRZSA-N 3 1 213.369 1.047 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254228 589901373 /nfs/dbraw/zinc/90/13/73/589901373.db2.gz WXRYPDFWUCRLOA-QWHCGFSZSA-N 3 1 241.423 1.694 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]cc1C ZINC000872773106 589967282 /nfs/dbraw/zinc/96/72/82/589967282.db2.gz FTUPTMMNHWUXOZ-CYBMUJFWSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CCNc1cc[nH+]cc1C ZINC000872773106 589967285 /nfs/dbraw/zinc/96/72/85/589967285.db2.gz FTUPTMMNHWUXOZ-CYBMUJFWSA-N 2 1 249.358 1.335 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873178484 589990526 /nfs/dbraw/zinc/99/05/26/589990526.db2.gz UMTPJENZAQATNC-UMSPYCQHSA-N 2 1 235.331 1.008 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2cnc(N)cn2)[C@@H]1CC[NH3+] ZINC000873213566 589996891 /nfs/dbraw/zinc/99/68/91/589996891.db2.gz HTDIMQYGWIQZHT-ZYHUDNBSSA-N 2 1 249.362 1.008 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cnc(N)cn2)[C@@H]1CC[NH3+] ZINC000873213566 589996892 /nfs/dbraw/zinc/99/68/92/589996892.db2.gz HTDIMQYGWIQZHT-ZYHUDNBSSA-N 2 1 249.362 1.008 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)CC[C@@H]21 ZINC000873221833 589999320 /nfs/dbraw/zinc/99/93/20/589999320.db2.gz RKOCQKONDVINDX-RDBSUJKOSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@H]2CN(Cc3ccc(N)nc3)CC[C@H]21 ZINC000873222046 589999391 /nfs/dbraw/zinc/99/93/91/589999391.db2.gz XZYPOYGYTXUWGE-QWHCGFSZSA-N 2 1 246.358 1.190 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)CC[C@H]21 ZINC000873221831 589999822 /nfs/dbraw/zinc/99/98/22/589999822.db2.gz RKOCQKONDVINDX-MCIONIFRSA-N 3 1 237.391 1.012 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccnn1C ZINC000873223548 590000413 /nfs/dbraw/zinc/00/04/13/590000413.db2.gz QIMOWBSYWUHJBL-GRYCIOLGSA-N 2 1 236.363 1.601 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCS1 ZINC000873225136 590000450 /nfs/dbraw/zinc/00/04/50/590000450.db2.gz OIQXNOOHCWVUKV-QJPTWQEYSA-N 2 1 228.405 1.812 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234287 590001068 /nfs/dbraw/zinc/00/10/68/590001068.db2.gz DIOGRRCTTSNSTR-UTUOFQBUSA-N 2 1 228.380 1.778 20 0 BDADMP COC(=O)CC[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000873229383 590001956 /nfs/dbraw/zinc/00/19/56/590001956.db2.gz VOEQLPXFUOGWJE-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP COC(=O)CC[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000873229383 590001959 /nfs/dbraw/zinc/00/19/59/590001959.db2.gz VOEQLPXFUOGWJE-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC1(F)CC1 ZINC000873231271 590002747 /nfs/dbraw/zinc/00/27/47/590002747.db2.gz CASHHYCICMUVAR-UHFFFAOYSA-N 2 1 202.317 1.939 20 0 BDADMP c1cc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)[nH]n1 ZINC000873232925 590003215 /nfs/dbraw/zinc/00/32/15/590003215.db2.gz RRELMGFMYQSVDB-CYBMUJFWSA-N 2 1 248.374 1.812 20 0 BDADMP CC1(C)CC[C@@H](C[NH2+]C2CCOCC2)[NH2+]C1 ZINC000873234598 590004544 /nfs/dbraw/zinc/00/45/44/590004544.db2.gz GQHYUMBQKXLTAB-LBPRGKRZSA-N 2 1 226.364 1.533 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239223 590005076 /nfs/dbraw/zinc/00/50/76/590005076.db2.gz QBAMPSWTXGGZTJ-MMWGEVLESA-N 2 1 200.301 1.737 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000873248481 590006770 /nfs/dbraw/zinc/00/67/70/590006770.db2.gz BJMZCZRMJCKUKG-BJJPWKGXSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000873248481 590006772 /nfs/dbraw/zinc/00/67/72/590006772.db2.gz BJMZCZRMJCKUKG-BJJPWKGXSA-N 2 1 237.391 1.186 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000873249095 590007177 /nfs/dbraw/zinc/00/71/77/590007177.db2.gz IIROGXNOHVCPRI-WCABBAIRSA-N 2 1 220.320 1.114 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000873254920 590010407 /nfs/dbraw/zinc/01/04/07/590010407.db2.gz BJMZCZRMJCKUKG-HTVCTNPSSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000873254920 590010409 /nfs/dbraw/zinc/01/04/09/590010409.db2.gz BJMZCZRMJCKUKG-HTVCTNPSSA-N 2 1 237.391 1.186 20 0 BDADMP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000873255809 590010757 /nfs/dbraw/zinc/01/07/57/590010757.db2.gz IIROGXNOHVCPRI-FXPVBKGRSA-N 2 1 220.320 1.114 20 0 BDADMP CCCN1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873257865 590012353 /nfs/dbraw/zinc/01/23/53/590012353.db2.gz LFXWVKOGTSMFBP-HAQNSBGRSA-N 2 1 225.380 1.188 20 0 BDADMP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000873291081 590023354 /nfs/dbraw/zinc/02/33/54/590023354.db2.gz UCLMVXWUEDWVNA-NWDGAFQWSA-N 2 1 223.295 1.377 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000873296299 590024072 /nfs/dbraw/zinc/02/40/72/590024072.db2.gz WXCKBBXEHNFILH-YWVKMMECSA-N 2 1 222.336 1.561 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC2OCCO2)CC[N@@H+]1C ZINC000124550500 590050117 /nfs/dbraw/zinc/05/01/17/590050117.db2.gz YQPUMNZRBBAQOD-NEPJUHHUSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC2OCCO2)CC[N@H+]1C ZINC000124550500 590050119 /nfs/dbraw/zinc/05/01/19/590050119.db2.gz YQPUMNZRBBAQOD-NEPJUHHUSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2OCCO2)CC[NH+]1C ZINC000124550500 590050121 /nfs/dbraw/zinc/05/01/21/590050121.db2.gz YQPUMNZRBBAQOD-NEPJUHHUSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2OCCO2)CC[NH+]1C ZINC000124550500 590050123 /nfs/dbraw/zinc/05/01/23/590050123.db2.gz YQPUMNZRBBAQOD-NEPJUHHUSA-N 2 1 242.363 1.164 20 0 BDADMP CC[NH+]1CCN(CCCCCCC[NH3+])CC1 ZINC000020073874 590070873 /nfs/dbraw/zinc/07/08/73/590070873.db2.gz JWRHUGPTVPVAIK-UHFFFAOYSA-N 2 1 227.396 1.533 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccco2)CC[N@@H+]1C ZINC000125120954 590124897 /nfs/dbraw/zinc/12/48/97/590124897.db2.gz IEEGFGISUBDMLM-UTUOFQBUSA-N 2 1 238.331 1.385 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccco2)CC[N@H+]1C ZINC000125120954 590124898 /nfs/dbraw/zinc/12/48/98/590124898.db2.gz IEEGFGISUBDMLM-UTUOFQBUSA-N 2 1 238.331 1.385 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000876771390 590239463 /nfs/dbraw/zinc/23/94/63/590239463.db2.gz RAKLQKVZCPBHIB-GRYCIOLGSA-N 2 1 241.379 1.055 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103496 590283727 /nfs/dbraw/zinc/28/37/27/590283727.db2.gz VSZJNNLVUBBCJR-GFCCVEGCSA-N 2 1 243.395 1.304 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)CC[C@H]21 ZINC000877743775 590410703 /nfs/dbraw/zinc/41/07/03/590410703.db2.gz YGSSTQGRIFIXCK-HZSPNIEDSA-N 2 1 236.359 1.705 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)CC[C@H]21 ZINC000877743775 590410704 /nfs/dbraw/zinc/41/07/04/590410704.db2.gz YGSSTQGRIFIXCK-HZSPNIEDSA-N 2 1 236.359 1.705 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)CC[C@H]21 ZINC000877743775 590410705 /nfs/dbraw/zinc/41/07/05/590410705.db2.gz YGSSTQGRIFIXCK-HZSPNIEDSA-N 2 1 236.359 1.705 20 0 BDADMP CC(C)[C@@H](O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878125199 590501685 /nfs/dbraw/zinc/50/16/85/590501685.db2.gz NVLUDHBEVPCPRL-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@@H](O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000878125199 590501688 /nfs/dbraw/zinc/50/16/88/590501688.db2.gz NVLUDHBEVPCPRL-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@@H](O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000878125199 590501690 /nfs/dbraw/zinc/50/16/90/590501690.db2.gz NVLUDHBEVPCPRL-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@H](O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000878549158 590590563 /nfs/dbraw/zinc/59/05/63/590590563.db2.gz BPPKKFJMOXKMRW-CQSZACIVSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+]1CC[C@@H]2CN(C[C@H]3CCC[N@@H+]3C)CC[C@@H]21 ZINC000879579053 590816499 /nfs/dbraw/zinc/81/64/99/590816499.db2.gz IXLFVTXVQWMIEF-MCIONIFRSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579053 590816502 /nfs/dbraw/zinc/81/65/02/590816502.db2.gz IXLFVTXVQWMIEF-MCIONIFRSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579053 590816506 /nfs/dbraw/zinc/81/65/06/590816506.db2.gz IXLFVTXVQWMIEF-MCIONIFRSA-N 2 1 237.391 1.107 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578617 590816716 /nfs/dbraw/zinc/81/67/16/590816716.db2.gz FZHFTUVJLJFSLP-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578617 590816719 /nfs/dbraw/zinc/81/67/19/590816719.db2.gz FZHFTUVJLJFSLP-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578617 590816722 /nfs/dbraw/zinc/81/67/22/590816722.db2.gz FZHFTUVJLJFSLP-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCO3)CC[C@H]21 ZINC000879579677 590817417 /nfs/dbraw/zinc/81/74/17/590817417.db2.gz AYCMLGQRPYVNOL-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCO3)CC[C@H]21 ZINC000879579677 590817418 /nfs/dbraw/zinc/81/74/18/590817418.db2.gz AYCMLGQRPYVNOL-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)CC[C@H]21 ZINC000879579677 590817422 /nfs/dbraw/zinc/81/74/22/590817422.db2.gz AYCMLGQRPYVNOL-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)CC[C@H]21 ZINC000879579677 590817424 /nfs/dbraw/zinc/81/74/24/590817424.db2.gz AYCMLGQRPYVNOL-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578952 590817571 /nfs/dbraw/zinc/81/75/71/590817571.db2.gz XIVOOKGLFBTUBB-UONOGXRCSA-N 2 1 248.374 1.218 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578952 590817573 /nfs/dbraw/zinc/81/75/73/590817573.db2.gz XIVOOKGLFBTUBB-UONOGXRCSA-N 2 1 248.374 1.218 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578618 590819114 /nfs/dbraw/zinc/81/91/14/590819114.db2.gz FZHFTUVJLJFSLP-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578618 590819117 /nfs/dbraw/zinc/81/91/17/590819117.db2.gz FZHFTUVJLJFSLP-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578618 590819118 /nfs/dbraw/zinc/81/91/18/590819118.db2.gz FZHFTUVJLJFSLP-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580045 590819173 /nfs/dbraw/zinc/81/91/73/590819173.db2.gz DPYYZRVZYVEYIW-KGLIPLIRSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580045 590819175 /nfs/dbraw/zinc/81/91/75/590819175.db2.gz DPYYZRVZYVEYIW-KGLIPLIRSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580045 590819177 /nfs/dbraw/zinc/81/91/77/590819177.db2.gz DPYYZRVZYVEYIW-KGLIPLIRSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580045 590819180 /nfs/dbraw/zinc/81/91/80/590819180.db2.gz DPYYZRVZYVEYIW-KGLIPLIRSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)O1 ZINC000879583347 590821880 /nfs/dbraw/zinc/82/18/80/590821880.db2.gz XYNDMYZIHHTTEO-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)O1 ZINC000879583347 590821883 /nfs/dbraw/zinc/82/18/83/590821883.db2.gz XYNDMYZIHHTTEO-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)O1 ZINC000879583347 590821885 /nfs/dbraw/zinc/82/18/85/590821885.db2.gz XYNDMYZIHHTTEO-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580831 590822267 /nfs/dbraw/zinc/82/22/67/590822267.db2.gz UZKDDXJPSOZTAR-AGIUHOORSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580831 590822272 /nfs/dbraw/zinc/82/22/72/590822272.db2.gz UZKDDXJPSOZTAR-AGIUHOORSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580831 590822276 /nfs/dbraw/zinc/82/22/76/590822276.db2.gz UZKDDXJPSOZTAR-AGIUHOORSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccnn1C ZINC000879686853 590847967 /nfs/dbraw/zinc/84/79/67/590847967.db2.gz KHXRTXXZPQEXET-LLVKDONJSA-N 2 1 247.346 1.437 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCSC1 ZINC000128243523 590950170 /nfs/dbraw/zinc/95/01/70/590950170.db2.gz NNSQKVOGAOUVLN-GFCCVEGCSA-N 2 1 246.420 1.440 20 0 BDADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000880469970 591052859 /nfs/dbraw/zinc/05/28/59/591052859.db2.gz FOSUTQNKDZBAJE-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473049 591053868 /nfs/dbraw/zinc/05/38/68/591053868.db2.gz NAABGLIJFKKJRF-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CCN1CC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883356626 591627273 /nfs/dbraw/zinc/62/72/73/591627273.db2.gz RMFAEZICWSHSMY-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@@H+]1CC[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000883356626 591627276 /nfs/dbraw/zinc/62/72/76/591627276.db2.gz RMFAEZICWSHSMY-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000883356626 591627279 /nfs/dbraw/zinc/62/72/79/591627279.db2.gz RMFAEZICWSHSMY-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1SCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000132466438 591710618 /nfs/dbraw/zinc/71/06/18/591710618.db2.gz PKUOKWUKAAIKER-SRVKXCTJSA-N 2 1 228.405 1.812 20 0 BDADMP CC[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000133057680 591761878 /nfs/dbraw/zinc/76/18/78/591761878.db2.gz QMGOANQNZWKVHO-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])[C@@H]1CCOC1 ZINC000134716072 591947937 /nfs/dbraw/zinc/94/79/37/591947937.db2.gz JJEPBAVOJXZHOJ-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344632 592212057 /nfs/dbraw/zinc/21/20/57/592212057.db2.gz IVGQGKIQZSRMAZ-TXEJJXNPSA-N 2 1 205.305 1.533 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344632 592212060 /nfs/dbraw/zinc/21/20/60/592212060.db2.gz IVGQGKIQZSRMAZ-TXEJJXNPSA-N 2 1 205.305 1.533 20 0 BDADMP CCOCC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886709514 592308971 /nfs/dbraw/zinc/30/89/71/592308971.db2.gz SHDYLTMVGSZAEQ-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1C[C@@]12CCOC2 ZINC000886829753 592350251 /nfs/dbraw/zinc/35/02/51/592350251.db2.gz GPDFOAYGMYOVIF-MGPQQGTHSA-N 2 1 240.391 1.718 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@]12CCOC2)CC(C)(C)C[NH3+] ZINC000886830907 592353031 /nfs/dbraw/zinc/35/30/31/592353031.db2.gz ZPZQLSBVGLWRSO-AAEUAGOBSA-N 2 1 226.364 1.330 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886838552 592358090 /nfs/dbraw/zinc/35/80/90/592358090.db2.gz ZSYIKGDUPWBJKH-RDBSUJKOSA-N 2 1 238.375 1.616 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCn2nncc2C1 ZINC000886858040 592370076 /nfs/dbraw/zinc/37/00/76/592370076.db2.gz KBCRMUDTNWXRHL-UHFFFAOYSA-N 2 1 237.351 1.003 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872093 592377007 /nfs/dbraw/zinc/37/70/07/592377007.db2.gz IXQAPVBQCDUXFM-CQSZACIVSA-N 2 1 248.374 1.386 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872093 592377012 /nfs/dbraw/zinc/37/70/12/592377012.db2.gz IXQAPVBQCDUXFM-CQSZACIVSA-N 2 1 248.374 1.386 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134851 592449407 /nfs/dbraw/zinc/44/94/07/592449407.db2.gz RCQFNHRNXSUIBW-CHWSQXEVSA-N 2 1 249.358 1.363 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])NCC1CC1 ZINC000887348781 592484706 /nfs/dbraw/zinc/48/47/06/592484706.db2.gz XBUGXUNQNFZKFJ-UHFFFAOYSA-N 2 1 235.335 1.106 20 0 BDADMP C[NH2+]CC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000300834091 592521549 /nfs/dbraw/zinc/52/15/49/592521549.db2.gz HSAGWZJMVAZXSL-VIFPVBQESA-N 2 1 206.280 1.573 20 0 BDADMP C[NH2+]CC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000300834091 592521550 /nfs/dbraw/zinc/52/15/50/592521550.db2.gz HSAGWZJMVAZXSL-VIFPVBQESA-N 2 1 206.280 1.573 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)c(C)c1 ZINC000925702299 634377275 /nfs/dbraw/zinc/37/72/75/634377275.db2.gz NAGXQASLRFMSOL-CQSZACIVSA-N 2 1 247.386 1.971 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246014859 987295207 /nfs/dbraw/zinc/29/52/07/987295207.db2.gz SIVMVVLSWMSRNR-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246014859 987295211 /nfs/dbraw/zinc/29/52/11/987295211.db2.gz SIVMVVLSWMSRNR-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000925704917 634387129 /nfs/dbraw/zinc/38/71/29/634387129.db2.gz IJTWOSULIQQXOO-LPWJVIDDSA-N 2 1 226.364 1.674 20 0 BDADMP [NH3+]CCCCCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925708212 634397683 /nfs/dbraw/zinc/39/76/83/634397683.db2.gz GYORTOVLQKBQSJ-QSLWVIQJSA-N 2 1 237.391 1.092 20 0 BDADMP CO[C@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@H]1C ZINC000299917036 634401970 /nfs/dbraw/zinc/40/19/70/634401970.db2.gz SYHNHFWALCQIQR-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OCC ZINC000925721271 634460177 /nfs/dbraw/zinc/46/01/77/634460177.db2.gz BRGVGTIJGZFIBL-NWDGAFQWSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000093215229 634463803 /nfs/dbraw/zinc/46/38/03/634463803.db2.gz NBKANAZULQYDFC-RDBSUJKOSA-N 2 1 239.407 1.720 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCOCC3(CC3)C2)CC1 ZINC000893503412 634541433 /nfs/dbraw/zinc/54/14/33/634541433.db2.gz RYJIIQYSRPUOIQ-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@H]([NH2+]CCc1ccns1)c1c[nH+]ccc1N ZINC000925729925 634554827 /nfs/dbraw/zinc/55/48/27/634554827.db2.gz BBHVRRMSZXOHDR-VIFPVBQESA-N 2 1 248.355 1.844 20 0 BDADMP CC[C@@H]([NH2+]CCc1ccns1)[C@@H]1CCC[NH2+]1 ZINC000925731429 634564160 /nfs/dbraw/zinc/56/41/60/634564160.db2.gz KLHTVJKPQHTITQ-NEPJUHHUSA-N 2 1 239.388 1.806 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@H]1CCC[NH2+]1 ZINC000925775067 635241499 /nfs/dbraw/zinc/24/14/99/635241499.db2.gz ZWFRGLBXGHTYLS-FRRDWIJNSA-N 2 1 238.375 1.676 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000107805158 635486565 /nfs/dbraw/zinc/48/65/65/635486565.db2.gz QOCFLECRNZTEFB-LLVKDONJSA-N 3 1 213.369 1.045 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000107805158 635486570 /nfs/dbraw/zinc/48/65/70/635486570.db2.gz QOCFLECRNZTEFB-LLVKDONJSA-N 3 1 213.369 1.045 20 0 BDADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000925841842 635506873 /nfs/dbraw/zinc/50/68/73/635506873.db2.gz URMSMMBMYJOAQQ-XJFOESAGSA-N 3 1 237.391 1.106 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925853826 635542230 /nfs/dbraw/zinc/54/22/30/635542230.db2.gz CARINQUQKHZEFJ-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C(C)(C)C2)CC[NH2+]1 ZINC000235368374 635577322 /nfs/dbraw/zinc/57/73/22/635577322.db2.gz ROGVIVRVGUANSR-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933374054 631339358 /nfs/dbraw/zinc/33/93/58/631339358.db2.gz WCLRVJWVXLXGDX-CYBMUJFWSA-N 2 1 249.358 1.654 20 0 BDADMP CCC1([NH2+]C[C@@H]([NH3+])CC(F)F)CCC1 ZINC000308463026 631352282 /nfs/dbraw/zinc/35/22/82/631352282.db2.gz GHHWXQHGQIXPKV-QMMMGPOBSA-N 2 1 206.280 1.891 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000308735502 631557695 /nfs/dbraw/zinc/55/76/95/631557695.db2.gz ZFYPPJSTRXHDOL-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000308735502 631557698 /nfs/dbraw/zinc/55/76/98/631557698.db2.gz ZFYPPJSTRXHDOL-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP C[N@@H+](CCC1CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056139 631832781 /nfs/dbraw/zinc/83/27/81/631832781.db2.gz JZPAZMJOTGREQG-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000235365360 632028211 /nfs/dbraw/zinc/02/82/11/632028211.db2.gz FSOIHWPROGGADR-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)NC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000052041115 632050839 /nfs/dbraw/zinc/05/08/39/632050839.db2.gz VGKCLHQROZOKDJ-GFCCVEGCSA-N 2 1 240.395 1.773 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000926450412 632068267 /nfs/dbraw/zinc/06/82/67/632068267.db2.gz MKNUWUZBHLGXJD-GMTAPVOTSA-N 2 1 249.358 1.528 20 0 BDADMP C[C@H]([N@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000309984021 632689941 /nfs/dbraw/zinc/68/99/41/632689941.db2.gz ZGGAWFATQDOPIU-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]([N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000309984021 632689946 /nfs/dbraw/zinc/68/99/46/632689946.db2.gz ZGGAWFATQDOPIU-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982582 632690148 /nfs/dbraw/zinc/69/01/48/632690148.db2.gz IPFTVAJCJOMAAR-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000310064665 632697814 /nfs/dbraw/zinc/69/78/14/632697814.db2.gz OZNOFEVCEPWIHF-RKFYDKJMSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2cccs2)C1 ZINC000235438814 632735330 /nfs/dbraw/zinc/73/53/30/632735330.db2.gz RKMORSVJYPDIEO-LBPRGKRZSA-N 2 1 224.373 1.961 20 0 BDADMP c1cncc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000310564264 632759749 /nfs/dbraw/zinc/75/97/49/632759749.db2.gz WVSAERAKKLIWFI-UONOGXRCSA-N 2 1 231.343 1.165 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2F)C1 ZINC000235709133 632820168 /nfs/dbraw/zinc/82/01/68/632820168.db2.gz IVLHQAYEMBMDPD-CYBMUJFWSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2F)C1 ZINC000235709133 632820171 /nfs/dbraw/zinc/82/01/71/632820171.db2.gz IVLHQAYEMBMDPD-CYBMUJFWSA-N 2 1 222.307 1.996 20 0 BDADMP Cc1cc(N)nc(N(C)C[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000892554816 632966058 /nfs/dbraw/zinc/96/60/58/632966058.db2.gz MURWLMOQOJXDIS-NSHDSACASA-N 2 1 249.362 1.145 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000309396781 633011229 /nfs/dbraw/zinc/01/12/29/633011229.db2.gz ILUYTEDGPYRZAY-NQBHXWOUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309396781 633011231 /nfs/dbraw/zinc/01/12/31/633011231.db2.gz ILUYTEDGPYRZAY-NQBHXWOUSA-N 2 1 226.364 1.220 20 0 BDADMP CCC[N@H+]1CC[C@H](CNCc2c[nH]cn2)C1 ZINC000163801051 633064806 /nfs/dbraw/zinc/06/48/06/633064806.db2.gz ZYDYRNWNDIJXJD-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP C[C@H](CCNc1nccn2c[nH+]cc12)[NH+](C)C ZINC000894521579 635903273 /nfs/dbraw/zinc/90/32/73/635903273.db2.gz QTLGIFFHHUAEPA-SNVBAGLBSA-N 2 1 233.319 1.481 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000894797013 635926764 /nfs/dbraw/zinc/92/67/64/635926764.db2.gz HPZPEVUCWIUVRZ-CYBMUJFWSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1nccn1C ZINC000665282723 636101948 /nfs/dbraw/zinc/10/19/48/636101948.db2.gz ALBODNKLNUBFJG-AEJSXWLSSA-N 2 1 210.325 1.197 20 0 BDADMP C[C@@H](CCN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290946 636131971 /nfs/dbraw/zinc/13/19/71/636131971.db2.gz WSCVSFCROKGOEA-STQMWFEESA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@H](CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290946 636131974 /nfs/dbraw/zinc/13/19/74/636131974.db2.gz WSCVSFCROKGOEA-STQMWFEESA-N 3 1 241.423 1.789 20 0 BDADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290946 636131976 /nfs/dbraw/zinc/13/19/76/636131976.db2.gz WSCVSFCROKGOEA-STQMWFEESA-N 3 1 241.423 1.789 20 0 BDADMP CC(C)(C)C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925503439 633828972 /nfs/dbraw/zinc/82/89/72/633828972.db2.gz JRFQLXMBOCGKFW-VXGBXAGGSA-N 2 1 240.391 1.658 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC2(CCCC2)C1 ZINC000308913709 633833438 /nfs/dbraw/zinc/83/34/38/633833438.db2.gz HMHZZSNXLMNUQK-GFCCVEGCSA-N 2 1 208.349 1.862 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000309229234 633869722 /nfs/dbraw/zinc/86/97/22/633869722.db2.gz IBYQUBVXWTWURI-RYUDHWBXSA-N 2 1 228.380 1.466 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000309354000 633900225 /nfs/dbraw/zinc/90/02/25/633900225.db2.gz GRECXTMIIZCYQT-CYBMUJFWSA-N 2 1 226.364 1.033 20 0 BDADMP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925538579 633944881 /nfs/dbraw/zinc/94/48/81/633944881.db2.gz VGZCSPOLYJHBPH-JSGCOSHPSA-N 2 1 249.402 1.345 20 0 BDADMP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925538578 633945460 /nfs/dbraw/zinc/94/54/60/633945460.db2.gz VGZCSPOLYJHBPH-GXTWGEPZSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@@H]([N@H+](C)C[C@@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983076 634026452 /nfs/dbraw/zinc/02/64/52/634026452.db2.gz GJRNJCBDBJNOBE-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983076 634026460 /nfs/dbraw/zinc/02/64/60/634026460.db2.gz GJRNJCBDBJNOBE-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP COC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000053195392 634033950 /nfs/dbraw/zinc/03/39/50/634033950.db2.gz KNYAGUOKWBGKBJ-QWRGUYRKSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982583 634056930 /nfs/dbraw/zinc/05/69/30/634056930.db2.gz IPFTVAJCJOMAAR-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000310039926 634064409 /nfs/dbraw/zinc/06/44/09/634064409.db2.gz XKUWHMBOVVVNDC-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000310039926 634064411 /nfs/dbraw/zinc/06/44/11/634064411.db2.gz XKUWHMBOVVVNDC-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925628010 634184244 /nfs/dbraw/zinc/18/42/44/634184244.db2.gz DGAUYFZNBJYLTR-QWHCGFSZSA-N 2 1 231.343 1.750 20 0 BDADMP CC(C)(O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925644457 634195887 /nfs/dbraw/zinc/19/58/87/634195887.db2.gz NIHYMSYQBXJLGG-SNVBAGLBSA-N 2 1 212.337 1.022 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925645934 634201807 /nfs/dbraw/zinc/20/18/07/634201807.db2.gz RROXHJRMIPKJPL-WDEREUQCSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925675979 634265063 /nfs/dbraw/zinc/26/50/63/634265063.db2.gz KNVLHZLNBYARLT-QWRGUYRKSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000925683349 634287229 /nfs/dbraw/zinc/28/72/29/634287229.db2.gz PDDLHIHLBMMUPK-RYUDHWBXSA-N 2 1 244.354 1.483 20 0 BDADMP NCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925689741 634306261 /nfs/dbraw/zinc/30/62/61/634306261.db2.gz IGHKXXIEZNTTDX-LBPRGKRZSA-N 2 1 207.321 1.015 20 0 BDADMP [NH3+]CCC[C@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000925689741 634306266 /nfs/dbraw/zinc/30/62/66/634306266.db2.gz IGHKXXIEZNTTDX-LBPRGKRZSA-N 3 1 207.321 1.015 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CS1 ZINC000925693474 634324515 /nfs/dbraw/zinc/32/45/15/634324515.db2.gz CRKXPFHJMJUUGU-UTLUCORTSA-N 2 1 214.378 1.611 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925692526 634324988 /nfs/dbraw/zinc/32/49/88/634324988.db2.gz MACMXUOTTWHTJP-GARJFASQSA-N 3 1 213.369 1.219 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925692524 634325402 /nfs/dbraw/zinc/32/54/02/634325402.db2.gz MACMXUOTTWHTJP-AXFHLTTASA-N 3 1 213.369 1.219 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925698121 634362380 /nfs/dbraw/zinc/36/23/80/634362380.db2.gz BZEJCTSTDSBZBZ-WCQYABFASA-N 2 1 221.348 1.403 20 0 BDADMP C[C@@H](CN)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925701346 634375134 /nfs/dbraw/zinc/37/51/34/634375134.db2.gz XWZPCINYHYZRNV-WCQYABFASA-N 2 1 221.348 1.403 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925701346 634375144 /nfs/dbraw/zinc/37/51/44/634375144.db2.gz XWZPCINYHYZRNV-WCQYABFASA-N 3 1 221.348 1.403 20 0 BDADMP C[C@H]1C[C@H](NCc2cc(N)cc[nH+]2)C[N@H+]1C1CC1 ZINC000925771494 635208269 /nfs/dbraw/zinc/20/82/69/635208269.db2.gz MHQIZXUPNHNXNJ-GWCFXTLKSA-N 2 1 246.358 1.379 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000258868556 635217965 /nfs/dbraw/zinc/21/79/65/635217965.db2.gz FVVRYFLREMQDFL-ZJUUUORDSA-N 2 1 247.298 1.091 20 0 BDADMP Cc1ccc(C)c(C[NH2+]CC2([NH3+])CC2)c1 ZINC000258969196 635229978 /nfs/dbraw/zinc/22/99/78/635229978.db2.gz BKFDZCDPOCLPOO-UHFFFAOYSA-N 2 1 204.317 1.884 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000314830834 635239785 /nfs/dbraw/zinc/23/97/85/635239785.db2.gz ZSJPYSFTZADMSH-GFCCVEGCSA-N 2 1 236.363 1.023 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000314830834 635239790 /nfs/dbraw/zinc/23/97/90/635239790.db2.gz ZSJPYSFTZADMSH-GFCCVEGCSA-N 3 1 236.363 1.023 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000314830834 635239800 /nfs/dbraw/zinc/23/98/00/635239800.db2.gz ZSJPYSFTZADMSH-GFCCVEGCSA-N 3 1 236.363 1.023 20 0 BDADMP CCN(CC)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000310171451 635292498 /nfs/dbraw/zinc/29/24/98/635292498.db2.gz UDVVMDAHJQFDAL-UHFFFAOYSA-N 2 1 243.395 1.306 20 0 BDADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925792124 635325082 /nfs/dbraw/zinc/32/50/82/635325082.db2.gz TVXLLYSUNRLEHR-WOPDTQHZSA-N 2 1 236.363 1.409 20 0 BDADMP Cn1nc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1C1CC1 ZINC000925873248 635589898 /nfs/dbraw/zinc/58/98/98/635589898.db2.gz HDHISHAZFOVFGM-YPMHNXCESA-N 2 1 248.374 1.515 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000310515373 636258881 /nfs/dbraw/zinc/25/88/81/636258881.db2.gz MHFGBSBXLNULJG-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[NH+](C)C ZINC000909614368 636344869 /nfs/dbraw/zinc/34/48/69/636344869.db2.gz UPPLYXVDZXFWCO-UHFFFAOYSA-N 2 1 249.358 1.557 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864455909 636762302 /nfs/dbraw/zinc/76/23/02/636762302.db2.gz ATNBRVGVCDYDNS-OUAUKWLOSA-N 2 1 226.368 1.239 20 0 BDADMP OCCC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000898011661 636852220 /nfs/dbraw/zinc/85/22/20/636852220.db2.gz SHFWZWMXDAFCPG-FKZOYECMSA-N 2 1 238.375 1.364 20 0 BDADMP OCCC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000898011662 636852417 /nfs/dbraw/zinc/85/24/17/636852417.db2.gz SHFWZWMXDAFCPG-GNRIBBGQSA-N 2 1 238.375 1.364 20 0 BDADMP CCO[C@H](C[NH2+][C@H](CC)C(C)C)C[NH+](C)C ZINC000926960717 636973930 /nfs/dbraw/zinc/97/39/30/636973930.db2.gz GZBNAEKCJCXUAO-CHWSQXEVSA-N 2 1 230.396 1.977 20 0 BDADMP CCC[C@@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926966539 636976774 /nfs/dbraw/zinc/97/67/74/636976774.db2.gz XJGDBBDRAWLECC-VXGBXAGGSA-N 2 1 216.369 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C[NH+](C)C ZINC000926965026 636976270 /nfs/dbraw/zinc/97/62/70/636976270.db2.gz ZKLMISJKXXKWAQ-DGAVXFQQSA-N 2 1 240.391 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+](C)C ZINC000926965029 636978517 /nfs/dbraw/zinc/97/85/17/636978517.db2.gz ZKLMISJKXXKWAQ-REWJHTLYSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924705747 637013995 /nfs/dbraw/zinc/01/39/95/637013995.db2.gz MIJRMOABVUSCGC-RFQIPJPRSA-N 2 1 240.391 1.589 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111273304 637097823 /nfs/dbraw/zinc/09/78/23/637097823.db2.gz SICJNGMYFXWMMJ-OCCSQVGLSA-N 2 1 248.370 1.983 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCCCO)C2CC2)C1 ZINC000903437626 637360274 /nfs/dbraw/zinc/36/02/74/637360274.db2.gz KROAAWOYKKLOPU-NWDGAFQWSA-N 2 1 226.364 1.351 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000903461885 637363350 /nfs/dbraw/zinc/36/33/50/637363350.db2.gz ZQCZEEIDKOJBFA-AXFHLTTASA-N 2 1 230.302 1.845 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903565779 637371735 /nfs/dbraw/zinc/37/17/35/637371735.db2.gz QCWHKZFGZUVCPW-NSHDSACASA-N 2 1 239.388 1.746 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722911 637378331 /nfs/dbraw/zinc/37/83/31/637378331.db2.gz FGNFPPBVRZNCIK-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722252 637379760 /nfs/dbraw/zinc/37/97/60/637379760.db2.gz JQIMQDAYDAXIOC-IHRRRGAJSA-N 2 1 240.391 1.731 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903788226 637382243 /nfs/dbraw/zinc/38/22/43/637382243.db2.gz GKRVETWAQGIKFM-ZIAGYGMSSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@@]1(C[NH2+]Cc2cncc(O)c2)CCC[NH2+]C1 ZINC000904434281 637402683 /nfs/dbraw/zinc/40/26/83/637402683.db2.gz UQHWJFGBCCULFA-CYBMUJFWSA-N 2 1 235.331 1.267 20 0 BDADMP CC1(C)Cc2cc(C[NH2+]CC3([NH3+])CC3)ccc2O1 ZINC000904442565 637410176 /nfs/dbraw/zinc/41/01/76/637410176.db2.gz FABIUNQICPSIRE-UHFFFAOYSA-N 2 1 246.354 1.981 20 0 BDADMP [NH3+][C@H](C[NH2+]C1([C@@H]2CCCCO2)CC1)CC(F)F ZINC000904442104 637410587 /nfs/dbraw/zinc/41/05/87/637410587.db2.gz AHISZPXSNBVNCR-UWVGGRQHSA-N 2 1 248.317 1.660 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cccc(=O)[nH]2)CC[NH2+]1 ZINC000904442734 637410783 /nfs/dbraw/zinc/41/07/83/637410783.db2.gz GFNVALRZLYSOLM-NWDGAFQWSA-N 2 1 249.358 1.607 20 0 BDADMP [NH3+]C1(c2noc(-c3ccc4c[nH+]cn4c3)n2)CC1 ZINC000905324795 637753175 /nfs/dbraw/zinc/75/31/75/637753175.db2.gz GIMJBUPJNLHSHP-UHFFFAOYSA-N 2 1 241.254 1.332 20 0 BDADMP CCC[C@H](C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905422869 637804565 /nfs/dbraw/zinc/80/45/65/637804565.db2.gz JSCCSVWUTYZFRC-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905422869 637804570 /nfs/dbraw/zinc/80/45/70/637804570.db2.gz JSCCSVWUTYZFRC-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@@H](C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905422872 637805714 /nfs/dbraw/zinc/80/57/14/637805714.db2.gz JSCCSVWUTYZFRC-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@@H](C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905422872 637805719 /nfs/dbraw/zinc/80/57/19/637805719.db2.gz JSCCSVWUTYZFRC-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906507987 638179343 /nfs/dbraw/zinc/17/93/43/638179343.db2.gz FXRWATGHQGWCBG-XYPYZODXSA-N 2 1 208.280 1.713 20 0 BDADMP CC(C)n1cc(C[NH2+]C2CC([NH3+])C2)cn1 ZINC000906509518 638181866 /nfs/dbraw/zinc/18/18/66/638181866.db2.gz HKEYXEZKINPKDS-UHFFFAOYSA-N 2 1 208.309 1.043 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000906509562 638181880 /nfs/dbraw/zinc/18/18/80/638181880.db2.gz JNZGVOBUJFEEEO-UHFFFAOYSA-N 2 1 242.326 1.452 20 0 BDADMP CCn1nc(C)c(C[NH2+]C2CC([NH3+])C2)c1C ZINC000906509505 638182502 /nfs/dbraw/zinc/18/25/02/638182502.db2.gz GSJNHEISCIVGKZ-UHFFFAOYSA-N 2 1 222.336 1.099 20 0 BDADMP CC(C)(C)n1cc(C[NH2+]C2CC([NH3+])C2)cn1 ZINC000906510177 638183093 /nfs/dbraw/zinc/18/30/93/638183093.db2.gz PMWXGLKFPGUNEZ-UHFFFAOYSA-N 2 1 222.336 1.217 20 0 BDADMP COc1ccc(C[NH2+]C2CC([NH3+])C2)c(F)c1 ZINC000906511020 638184161 /nfs/dbraw/zinc/18/41/61/638184161.db2.gz PWTOAUUUPDAMAA-UHFFFAOYSA-N 2 1 224.279 1.414 20 0 BDADMP COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1F ZINC000906517610 638186973 /nfs/dbraw/zinc/18/69/73/638186973.db2.gz ITMKGPQPLUEMMC-MGCOHNPYSA-N 2 1 224.279 1.414 20 0 BDADMP CCOc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)n1 ZINC000906516740 638187875 /nfs/dbraw/zinc/18/78/75/638187875.db2.gz JODQPFMQFQCQLM-HOMQSWHASA-N 2 1 221.304 1.060 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)O1 ZINC000149779512 639136793 /nfs/dbraw/zinc/13/67/93/639136793.db2.gz HBLFLKWNDHSNAF-IKWCTNDRSA-N 2 1 226.364 1.756 20 0 BDADMP C[NH2+]Cc1cccc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC000911687884 639727510 /nfs/dbraw/zinc/72/75/10/639727510.db2.gz IXTGWZHYQFRGEH-UHFFFAOYSA-N 2 1 247.342 1.439 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCOC3CC3)C2)C1 ZINC000930555793 639810886 /nfs/dbraw/zinc/81/08/86/639810886.db2.gz QJMWTHMEKADJJI-ZDUSSCGKSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCOC3CC3)C2)C1 ZINC000930555793 639810887 /nfs/dbraw/zinc/81/08/87/639810887.db2.gz QJMWTHMEKADJJI-ZDUSSCGKSA-N 2 1 224.348 1.193 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930575796 639812934 /nfs/dbraw/zinc/81/29/34/639812934.db2.gz FGSXGXHSHWPSAO-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930602203 639817118 /nfs/dbraw/zinc/81/71/18/639817118.db2.gz MVYRQVIXEPDQKM-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](CO)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930602203 639817119 /nfs/dbraw/zinc/81/71/19/639817119.db2.gz MVYRQVIXEPDQKM-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](CO)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930602203 639817120 /nfs/dbraw/zinc/81/71/20/639817120.db2.gz MVYRQVIXEPDQKM-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000035776913 639920913 /nfs/dbraw/zinc/92/09/13/639920913.db2.gz BBZVDTFWSPTANJ-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931038484 640032531 /nfs/dbraw/zinc/03/25/31/640032531.db2.gz RPAJRLHOEDIIQD-WCQYABFASA-N 2 1 236.363 1.216 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277987 640128594 /nfs/dbraw/zinc/12/85/94/640128594.db2.gz UYURRTXQHCBOEH-KVSVUVNWSA-N 2 1 224.348 1.046 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277987 640128600 /nfs/dbraw/zinc/12/86/00/640128600.db2.gz UYURRTXQHCBOEH-KVSVUVNWSA-N 2 1 224.348 1.046 20 0 BDADMP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278871 640129053 /nfs/dbraw/zinc/12/90/53/640129053.db2.gz PWZJRMPKNRCABH-JLEMSTGMSA-N 2 1 208.349 1.835 20 0 BDADMP CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278871 640129061 /nfs/dbraw/zinc/12/90/61/640129061.db2.gz PWZJRMPKNRCABH-JLEMSTGMSA-N 2 1 208.349 1.835 20 0 BDADMP COCCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310179 640145833 /nfs/dbraw/zinc/14/58/33/640145833.db2.gz JCDXHRCPSMPCRY-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP COC/C(C)=C/C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355825 640161944 /nfs/dbraw/zinc/16/19/44/640161944.db2.gz BCHOXSICVGMVPG-AWNIVKPZSA-N 2 1 240.391 1.995 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000931391497 640174377 /nfs/dbraw/zinc/17/43/77/640174377.db2.gz HBIQKLQHQQMQAH-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000931391497 640174382 /nfs/dbraw/zinc/17/43/82/640174382.db2.gz HBIQKLQHQQMQAH-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000931391497 640174387 /nfs/dbraw/zinc/17/43/87/640174387.db2.gz HBIQKLQHQQMQAH-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438025 640202822 /nfs/dbraw/zinc/20/28/22/640202822.db2.gz XXBZPYJPAPMTET-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438025 640202824 /nfs/dbraw/zinc/20/28/24/640202824.db2.gz XXBZPYJPAPMTET-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438025 640202833 /nfs/dbraw/zinc/20/28/33/640202833.db2.gz XXBZPYJPAPMTET-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP Nc1ccnc2c1C[N@@H+](CC1CCOCC1)CC2 ZINC000931512362 640242705 /nfs/dbraw/zinc/24/27/05/640242705.db2.gz XSDFLCPRBASDBG-UHFFFAOYSA-N 2 1 247.342 1.449 20 0 BDADMP Nc1cc[nH+]c2c1C[N@H+](CC1CCOCC1)CC2 ZINC000931512362 640242713 /nfs/dbraw/zinc/24/27/13/640242713.db2.gz XSDFLCPRBASDBG-UHFFFAOYSA-N 2 1 247.342 1.449 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](CC1CCOCC1)CC2 ZINC000931512362 640242719 /nfs/dbraw/zinc/24/27/19/640242719.db2.gz XSDFLCPRBASDBG-UHFFFAOYSA-N 2 1 247.342 1.449 20 0 BDADMP CSCCC[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931724758 640338066 /nfs/dbraw/zinc/33/80/66/640338066.db2.gz MALBDIJJOVZIDX-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP CC[C@H](CO)[NH2+]CCCCn1cc[nH+]c1C ZINC000931773790 640367434 /nfs/dbraw/zinc/36/74/34/640367434.db2.gz UNZSXFQITWITBC-GFCCVEGCSA-N 2 1 225.336 1.332 20 0 BDADMP Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000221676751 640415186 /nfs/dbraw/zinc/41/51/86/640415186.db2.gz YHQWGCWIOIVIAX-SNVBAGLBSA-N 2 1 247.346 1.263 20 0 BDADMP CCn1nccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000157085334 640570538 /nfs/dbraw/zinc/57/05/38/640570538.db2.gz XWQTVBQEDAHPQD-NEPJUHHUSA-N 2 1 236.363 1.462 20 0 BDADMP CCn1nccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000157085334 640570544 /nfs/dbraw/zinc/57/05/44/640570544.db2.gz XWQTVBQEDAHPQD-NEPJUHHUSA-N 2 1 236.363 1.462 20 0 BDADMP C([NH2+][C@H]1CCSC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000225018485 640658886 /nfs/dbraw/zinc/65/88/86/640658886.db2.gz MSGUKHMEJOKCJG-MNOVXSKESA-N 2 1 226.389 1.566 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)O1 ZINC000933731850 640752257 /nfs/dbraw/zinc/75/22/57/640752257.db2.gz ILOLHMPFQCTRCF-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734339 640757219 /nfs/dbraw/zinc/75/72/19/640757219.db2.gz OGFFPACOXPYTHE-MELADBBJSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@@H](O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734339 640757224 /nfs/dbraw/zinc/75/72/24/640757224.db2.gz OGFFPACOXPYTHE-MELADBBJSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@@H](O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734339 640757231 /nfs/dbraw/zinc/75/72/31/640757231.db2.gz OGFFPACOXPYTHE-MELADBBJSA-N 2 1 240.391 1.277 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226422649 640762639 /nfs/dbraw/zinc/76/26/39/640762639.db2.gz UHJHQQPGXSMNLD-CHWSQXEVSA-N 2 1 228.380 1.598 20 0 BDADMP COC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000226700764 640789893 /nfs/dbraw/zinc/78/98/93/640789893.db2.gz DNBYOIAVILFMKG-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCCO ZINC000227257729 640822109 /nfs/dbraw/zinc/82/21/09/640822109.db2.gz VQFBFKWTHTVWJW-RYUDHWBXSA-N 2 1 214.353 1.351 20 0 BDADMP CCSCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229089455 640921272 /nfs/dbraw/zinc/92/12/72/640921272.db2.gz GSDVLQOPYKUWTK-QWRGUYRKSA-N 2 1 216.394 1.656 20 0 BDADMP Cc1cccc(N2CC[C@H](C)[C@@H](C[NH3+])C2)[nH+]1 ZINC000229097708 640922845 /nfs/dbraw/zinc/92/28/45/640922845.db2.gz HMHUDNFWRXIFDR-JQWIXIFHSA-N 2 1 219.332 1.811 20 0 BDADMP C[N@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000061989276 641012982 /nfs/dbraw/zinc/01/29/82/641012982.db2.gz BPUDPUYDYGKENH-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000061989276 641012983 /nfs/dbraw/zinc/01/29/83/641012983.db2.gz BPUDPUYDYGKENH-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP CO[C@H]1CC[C@H]1[N@H+](C)CCn1cc[nH+]c1C ZINC000934111844 641077241 /nfs/dbraw/zinc/07/72/41/641077241.db2.gz PRZBQPWTCUAJHX-NEPJUHHUSA-N 2 1 223.320 1.301 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCn1cc[nH+]c1C ZINC000934111844 641077247 /nfs/dbraw/zinc/07/72/47/641077247.db2.gz PRZBQPWTCUAJHX-NEPJUHHUSA-N 2 1 223.320 1.301 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862478 641101502 /nfs/dbraw/zinc/10/15/02/641101502.db2.gz KEJPGBWGEZWQIG-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1ccc(O)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000231459733 641175630 /nfs/dbraw/zinc/17/56/30/641175630.db2.gz WLFMADUMAQMEKR-LBPRGKRZSA-N 2 1 249.358 1.670 20 0 BDADMP C[N@@H+](C[C@@H](O)CC1CCCC1)C1CC[NH2+]CC1 ZINC000232148348 641246552 /nfs/dbraw/zinc/24/65/52/641246552.db2.gz HQUZMZKIFNRPOP-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP C[NH+](C)CC1CCN(CCC[NH2+]C2CC2)CC1 ZINC000042388746 641552268 /nfs/dbraw/zinc/55/22/68/641552268.db2.gz YUUJKLCZDJEUMZ-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000158591182 641641958 /nfs/dbraw/zinc/64/19/58/641641958.db2.gz OHUVJQRKXFFCAO-GFCCVEGCSA-N 2 1 228.405 1.813 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC000914436356 641705535 /nfs/dbraw/zinc/70/55/35/641705535.db2.gz TXYNQEJQMLHREU-OLZOCXBDSA-N 2 1 224.348 1.095 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000891401491 642471044 /nfs/dbraw/zinc/47/10/44/642471044.db2.gz XSQAEZPGXKRGLX-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](Cc1ccccn1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233486931 642675695 /nfs/dbraw/zinc/67/56/95/642675695.db2.gz VCMOURBTISIRHQ-OLZOCXBDSA-N 2 1 233.359 1.759 20 0 BDADMP CC[N@H+](Cc1ccccn1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233486931 642675699 /nfs/dbraw/zinc/67/56/99/642675699.db2.gz VCMOURBTISIRHQ-OLZOCXBDSA-N 2 1 233.359 1.759 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)oc1C ZINC000070170711 642986460 /nfs/dbraw/zinc/98/64/60/642986460.db2.gz PKEFCDITTBISIW-LBPRGKRZSA-N 2 1 237.347 1.852 20 0 BDADMP CCOCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233746430 643246292 /nfs/dbraw/zinc/24/62/92/643246292.db2.gz ZCDDJQRWQUUQBB-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@H](C)CO1 ZINC000035787491 643253435 /nfs/dbraw/zinc/25/34/35/643253435.db2.gz ZNXHJOOTSDQJRU-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCCOC1 ZINC000082545736 643340931 /nfs/dbraw/zinc/34/09/31/643340931.db2.gz VOOWHGRQHJACKQ-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000082560714 643342801 /nfs/dbraw/zinc/34/28/01/643342801.db2.gz KSTKHPXGFFTRIF-OLZOCXBDSA-N 2 1 228.380 1.446 20 0 BDADMP C[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1CCCCN1 ZINC000843344395 643342738 /nfs/dbraw/zinc/34/27/38/643342738.db2.gz YYBXALKYEBPCJM-CHWSQXEVSA-N 2 1 227.396 1.626 20 0 BDADMP Cn1c[nH+]cc1CC[N@@H+]1CCn2cccc2C1 ZINC000932525515 643347808 /nfs/dbraw/zinc/34/78/08/643347808.db2.gz AJJQWALKSQRHTJ-UHFFFAOYSA-N 2 1 230.315 1.280 20 0 BDADMP Cn1c[nH+]cc1CC[N@H+]1CCn2cccc2C1 ZINC000932525515 643347814 /nfs/dbraw/zinc/34/78/14/643347814.db2.gz AJJQWALKSQRHTJ-UHFFFAOYSA-N 2 1 230.315 1.280 20 0 BDADMP Cc1csc(C[NH2+]CCC(C)(C)[NH3+])n1 ZINC000082773190 643379642 /nfs/dbraw/zinc/37/96/42/643379642.db2.gz YLYNMKDZEBROOC-UHFFFAOYSA-N 2 1 213.350 1.669 20 0 BDADMP ClC1(Cl)C[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306998183 643384409 /nfs/dbraw/zinc/38/44/09/643384409.db2.gz XURMQYZWIPQORB-YIZRAAEISA-N 2 1 235.158 1.331 20 0 BDADMP ClC1(Cl)C[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306998183 643384415 /nfs/dbraw/zinc/38/44/15/643384415.db2.gz XURMQYZWIPQORB-YIZRAAEISA-N 2 1 235.158 1.331 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921559505 643611263 /nfs/dbraw/zinc/61/12/63/643611263.db2.gz VLYCHRQAFVCCCI-UHFFFAOYSA-N 2 1 246.314 1.472 20 0 BDADMP CCCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789759 643623707 /nfs/dbraw/zinc/62/37/07/643623707.db2.gz XVCJRYYZJSOVHE-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789759 643623712 /nfs/dbraw/zinc/62/37/12/643623712.db2.gz XVCJRYYZJSOVHE-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP O=c1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc[nH]1 ZINC000921629602 643632122 /nfs/dbraw/zinc/63/21/22/643632122.db2.gz CUONCGDARQPCOP-NSHDSACASA-N 2 1 244.298 1.088 20 0 BDADMP CC[NH2+]CCNc1cc(CC)[nH+]c(C)n1 ZINC000084082129 643644669 /nfs/dbraw/zinc/64/46/69/643644669.db2.gz FJDBAZWZMWNPGA-UHFFFAOYSA-N 2 1 208.309 1.369 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000084385160 643660292 /nfs/dbraw/zinc/66/02/92/643660292.db2.gz TXHHLNRACUGQBC-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000085014642 643678796 /nfs/dbraw/zinc/67/87/96/643678796.db2.gz CWVLZEWZFZLPGL-KKOKHZNYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC(C)(C)O1 ZINC000085015537 643679448 /nfs/dbraw/zinc/67/94/48/643679448.db2.gz MMTBZWVAJLWWRJ-TUAOUCFPSA-N 2 1 226.364 1.613 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C)C1CC1)C[NH+](C)C ZINC000922757919 644087932 /nfs/dbraw/zinc/08/79/32/644087932.db2.gz NXSXBSBEUPHFHO-JQWIXIFHSA-N 2 1 214.353 1.341 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922820754 644111040 /nfs/dbraw/zinc/11/10/40/644111040.db2.gz JIDJALRDXCYLIM-MJBXVCDLSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1 ZINC000086495091 644142586 /nfs/dbraw/zinc/14/25/86/644142586.db2.gz XUAAZOFHEIXQLM-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000923279356 644311054 /nfs/dbraw/zinc/31/10/54/644311054.db2.gz MCURNAZYZFWLLJ-HNNXBMFYSA-N 2 1 248.370 1.274 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000923279390 644311329 /nfs/dbraw/zinc/31/13/29/644311329.db2.gz NDDUJZBGXANQKP-RDBSUJKOSA-N 2 1 242.407 1.985 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000923279390 644311333 /nfs/dbraw/zinc/31/13/33/644311333.db2.gz NDDUJZBGXANQKP-RDBSUJKOSA-N 2 1 242.407 1.985 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923280145 644312922 /nfs/dbraw/zinc/31/29/22/644312922.db2.gz GZIOKRKKVTXDHD-NSHDSACASA-N 2 1 237.347 1.716 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923280145 644312928 /nfs/dbraw/zinc/31/29/28/644312928.db2.gz GZIOKRKKVTXDHD-NSHDSACASA-N 2 1 237.347 1.716 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000923285120 644317234 /nfs/dbraw/zinc/31/72/34/644317234.db2.gz ABHPJBUVBLSZQT-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923289790 644324585 /nfs/dbraw/zinc/32/45/85/644324585.db2.gz LZJFASCAHNUPAJ-HZSPNIEDSA-N 2 1 242.407 1.987 20 0 BDADMP CCOCCOCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923290532 644325817 /nfs/dbraw/zinc/32/58/17/644325817.db2.gz YNUBTKUYJKVDIE-STQMWFEESA-N 2 1 244.379 1.099 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307367 644336846 /nfs/dbraw/zinc/33/68/46/644336846.db2.gz RYKURNYVLPUQBM-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314594 644341439 /nfs/dbraw/zinc/34/14/39/644341439.db2.gz BGDKWBOFJONQDX-UPJWGTAASA-N 2 1 238.375 1.485 20 0 BDADMP c1ncn([C@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923311815 644347534 /nfs/dbraw/zinc/34/75/34/644347534.db2.gz XXWULNQWLHJFLT-ZDUSSCGKSA-N 2 1 249.362 1.057 20 0 BDADMP c1ncn([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923311815 644347536 /nfs/dbraw/zinc/34/75/36/644347536.db2.gz XXWULNQWLHJFLT-ZDUSSCGKSA-N 2 1 249.362 1.057 20 0 BDADMP CCOCCOCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334687 644356848 /nfs/dbraw/zinc/35/68/48/644356848.db2.gz JJMFUYHWIOGVEM-ZDUSSCGKSA-N 2 1 244.379 1.113 20 0 BDADMP [NH3+]C1(C[NH2+]C[C@@H](O)c2ccccc2)CCC1 ZINC000923334702 644356975 /nfs/dbraw/zinc/35/69/75/644356975.db2.gz XTOQHGYDIDNIGM-GFCCVEGCSA-N 2 1 220.316 1.191 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000923355222 644374100 /nfs/dbraw/zinc/37/41/00/644374100.db2.gz HVGVPKSIQWIMPU-LSDHHAIUSA-N 2 1 248.370 1.699 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923363590 644375912 /nfs/dbraw/zinc/37/59/12/644375912.db2.gz DAYNGBZGFZTYMS-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1[NH3+] ZINC000923365006 644376323 /nfs/dbraw/zinc/37/63/23/644376323.db2.gz BWLXAWGXSLDHSM-VHDGCEQUSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1[NH3+] ZINC000923365006 644376332 /nfs/dbraw/zinc/37/63/32/644376332.db2.gz BWLXAWGXSLDHSM-VHDGCEQUSA-N 2 1 248.370 1.259 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H](O)CC(F)(F)F ZINC000923366969 644379101 /nfs/dbraw/zinc/37/91/01/644379101.db2.gz BRVBSCZCUHXGDJ-HTQZYQBOSA-N 2 1 242.285 1.263 20 0 BDADMP CCOCCOCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923368382 644380956 /nfs/dbraw/zinc/38/09/56/644380956.db2.gz BLYHUBLAQXVJQS-RWMBFGLXSA-N 2 1 244.379 1.016 20 0 BDADMP CCOCCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923368380 644381202 /nfs/dbraw/zinc/38/12/02/644381202.db2.gz BLYHUBLAQXVJQS-FRRDWIJNSA-N 2 1 244.379 1.016 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376298 644388743 /nfs/dbraw/zinc/38/87/43/644388743.db2.gz KSJGFIQKHKKEEC-JHJVBQTASA-N 2 1 238.375 1.485 20 0 BDADMP CSC[C@@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923374197 644390052 /nfs/dbraw/zinc/39/00/52/644390052.db2.gz SBAXAHLMHUEANV-RYUDHWBXSA-N 2 1 246.420 1.208 20 0 BDADMP C(C[NH2+]C1CC1)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000923376339 644390933 /nfs/dbraw/zinc/39/09/33/644390933.db2.gz MDBRVGQZOSCMDK-UHFFFAOYSA-N 2 1 238.375 1.631 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CCOCC2(CCC2)C1 ZINC000923376339 644390937 /nfs/dbraw/zinc/39/09/37/644390937.db2.gz MDBRVGQZOSCMDK-UHFFFAOYSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@]12COC[C@@H]1C[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923387252 644399908 /nfs/dbraw/zinc/39/99/08/644399908.db2.gz CFQUHOJBGAPJHY-WCQYABFASA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](C3CCC3)C2)C1 ZINC000923396057 644403316 /nfs/dbraw/zinc/40/33/16/644403316.db2.gz UWGOOIQEEVOSFV-XUXIUFHCSA-N 2 1 238.375 1.349 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923397583 644405260 /nfs/dbraw/zinc/40/52/60/644405260.db2.gz CYHJGZYOYWUREK-QWHCGFSZSA-N 2 1 240.391 1.658 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923415876 644408535 /nfs/dbraw/zinc/40/85/35/644408535.db2.gz RZQBWLDUNOYSMY-WCQYABFASA-N 2 1 228.380 1.454 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCC3(CC3)CC2)C1 ZINC000923408585 644412654 /nfs/dbraw/zinc/41/26/54/644412654.db2.gz CFDQKCMWWSWXEK-SRVKXCTJSA-N 2 1 224.348 1.103 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000923412795 644413896 /nfs/dbraw/zinc/41/38/96/644413896.db2.gz BLABINRVKKVNNM-RYUDHWBXSA-N 2 1 240.416 1.813 20 0 BDADMP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CCCCCCC[NH3+] ZINC000923436567 644428884 /nfs/dbraw/zinc/42/88/84/644428884.db2.gz PBJPOBRKRNIFID-MELADBBJSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCCCCCC[NH3+] ZINC000923436567 644428890 /nfs/dbraw/zinc/42/88/90/644428890.db2.gz PBJPOBRKRNIFID-MELADBBJSA-N 2 1 241.423 1.966 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923455587 644435162 /nfs/dbraw/zinc/43/51/62/644435162.db2.gz ZJWVKSUHNVIZHV-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923455587 644435170 /nfs/dbraw/zinc/43/51/70/644435170.db2.gz ZJWVKSUHNVIZHV-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C1CC1 ZINC000923480858 644458319 /nfs/dbraw/zinc/45/83/19/644458319.db2.gz KTZUBCFXKFYOQU-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484839 644461402 /nfs/dbraw/zinc/46/14/02/644461402.db2.gz OJNHPELYUOSTQX-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C[NH3+] ZINC000923488782 644465134 /nfs/dbraw/zinc/46/51/34/644465134.db2.gz GTOHKBHTADZZFM-PEBLQZBPSA-N 2 1 222.376 1.949 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923490070 644465670 /nfs/dbraw/zinc/46/56/70/644465670.db2.gz AQFHNNUCTBZRNV-AEGPPILISA-N 2 1 248.370 1.637 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2N)CC[C@@H]1C[NH3+] ZINC000923490351 644465939 /nfs/dbraw/zinc/46/59/39/644465939.db2.gz NBEPUUYZXWYCRR-GHMZBOCLSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccns2)CC[C@@H]1C[NH3+] ZINC000923492135 644467742 /nfs/dbraw/zinc/46/77/42/644467742.db2.gz WGEQKMQAHYPIBV-VHSXEESVSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923493196 644468053 /nfs/dbraw/zinc/46/80/53/644468053.db2.gz FJSALJXBATUUCV-CHWSQXEVSA-N 3 1 227.396 1.422 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cscn2)CC[C@H]1C[NH3+] ZINC000923496926 644469269 /nfs/dbraw/zinc/46/92/69/644469269.db2.gz CRCDCKUOODEQQP-UWVGGRQHSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCO)CC[C@@H]1C[NH3+] ZINC000923502253 644470804 /nfs/dbraw/zinc/47/08/04/644470804.db2.gz YIWQJGVEYDWMAK-QWHCGFSZSA-N 2 1 228.380 1.456 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nccs2)CC[C@H]1C[NH3+] ZINC000923499858 644472424 /nfs/dbraw/zinc/47/24/24/644472424.db2.gz MNVSBTQMRLYCKX-UWVGGRQHSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923497416 644473489 /nfs/dbraw/zinc/47/34/89/644473489.db2.gz DYXPKGODUVSPJD-ZIAGYGMSSA-N 3 1 241.423 1.812 20 0 BDADMP Cc1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923498797 644474237 /nfs/dbraw/zinc/47/42/37/644474237.db2.gz LPVDSHWCIUJCCC-YWVKMMECSA-N 2 1 238.335 1.356 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(N)c2)CC[C@H]1C[NH3+] ZINC000923501326 644475081 /nfs/dbraw/zinc/47/50/81/644475081.db2.gz QLIGTBIVCBLFOH-YPMHNXCESA-N 2 1 233.359 1.686 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517166 644480724 /nfs/dbraw/zinc/48/07/24/644480724.db2.gz AOAYFWOLTDDAAF-NWDGAFQWSA-N 2 1 249.358 1.587 20 0 BDADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517166 644480728 /nfs/dbraw/zinc/48/07/28/644480728.db2.gz AOAYFWOLTDDAAF-NWDGAFQWSA-N 2 1 249.358 1.587 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518913 644483685 /nfs/dbraw/zinc/48/36/85/644483685.db2.gz ZDIDSEFMOCRWJW-KWCYVHTRSA-N 2 1 231.343 1.684 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521304 644483989 /nfs/dbraw/zinc/48/39/89/644483989.db2.gz MQDPBEICGJGYRQ-NWDGAFQWSA-N 2 1 235.331 1.333 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521304 644483990 /nfs/dbraw/zinc/48/39/90/644483990.db2.gz MQDPBEICGJGYRQ-NWDGAFQWSA-N 2 1 235.331 1.333 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531095 644486113 /nfs/dbraw/zinc/48/61/13/644486113.db2.gz PBENCFQMKDWYFP-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](Cc1cccc(=O)[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000923555828 644500058 /nfs/dbraw/zinc/50/00/58/644500058.db2.gz WYTRTJNOFHEXGP-LLVKDONJSA-N 2 1 235.331 1.219 20 0 BDADMP C[N@H+](Cc1cccc(=O)[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000923555828 644500061 /nfs/dbraw/zinc/50/00/61/644500061.db2.gz WYTRTJNOFHEXGP-LLVKDONJSA-N 2 1 235.331 1.219 20 0 BDADMP C(C1CC1)[C@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923556357 644501951 /nfs/dbraw/zinc/50/19/51/644501951.db2.gz WNDYTVWQAWPWJH-OLZOCXBDSA-N 2 1 224.348 1.097 20 0 BDADMP C(C1CC1)[C@H]1COCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923556357 644501955 /nfs/dbraw/zinc/50/19/55/644501955.db2.gz WNDYTVWQAWPWJH-OLZOCXBDSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088103061 644510524 /nfs/dbraw/zinc/51/05/24/644510524.db2.gz MNQGGGVWZRCXOS-ZDUSSCGKSA-N 2 1 246.354 1.445 20 0 BDADMP CCN1CCC([N@@H+](C)CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749300 644565079 /nfs/dbraw/zinc/56/50/79/644565079.db2.gz KROIPAPPMUIBRN-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749300 644565083 /nfs/dbraw/zinc/56/50/83/644565083.db2.gz KROIPAPPMUIBRN-CYBMUJFWSA-N 3 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749300 644565088 /nfs/dbraw/zinc/56/50/88/644565088.db2.gz KROIPAPPMUIBRN-CYBMUJFWSA-N 3 1 239.407 1.402 20 0 BDADMP CCc1noc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000091846337 644642828 /nfs/dbraw/zinc/64/28/28/644642828.db2.gz PRGRIYPVXXYACL-UHFFFAOYSA-N 2 1 238.335 1.334 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CCOC1 ZINC000251385172 644803212 /nfs/dbraw/zinc/80/32/12/644803212.db2.gz QLNUNAORTXJMRX-ODWCKFRGSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000251852918 644826170 /nfs/dbraw/zinc/82/61/70/644826170.db2.gz RQDCXPYIVRLKCI-RLAWYHOSSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000251852915 644826480 /nfs/dbraw/zinc/82/64/80/644826480.db2.gz RQDCXPYIVRLKCI-FUDCBSFHSA-N 2 1 238.375 1.628 20 0 BDADMP OCCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303621895 644834175 /nfs/dbraw/zinc/83/41/75/644834175.db2.gz ZVPKSUGLWKPKQE-CYBMUJFWSA-N 2 1 226.364 1.225 20 0 BDADMP C[C@@H](O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252746067 644897198 /nfs/dbraw/zinc/89/71/98/644897198.db2.gz BDUTZANBONMRHU-XQHREUISSA-N 2 1 226.364 1.361 20 0 BDADMP CCN1CC[C@H]([N@H+](C)CC[S@@](C)=O)C[C@H]1C ZINC000827971065 645089318 /nfs/dbraw/zinc/08/93/18/645089318.db2.gz QKVOZEOHSVPBDV-BFQNTYOBSA-N 2 1 246.420 1.170 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)CC[S@@](C)=O)C[C@H]1C ZINC000827971065 645089321 /nfs/dbraw/zinc/08/93/21/645089321.db2.gz QKVOZEOHSVPBDV-BFQNTYOBSA-N 2 1 246.420 1.170 20 0 BDADMP C[C@H]1COC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926557287 645279181 /nfs/dbraw/zinc/27/91/81/645279181.db2.gz ANTSTSLBOMLZFN-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1COC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926557285 645279998 /nfs/dbraw/zinc/27/99/98/645279998.db2.gz ANTSTSLBOMLZFN-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CO[C@H]1C ZINC000926574353 645293166 /nfs/dbraw/zinc/29/31/66/645293166.db2.gz WEGOCYRXPYUKPE-FQUUOJAGSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000926644077 645330713 /nfs/dbraw/zinc/33/07/13/645330713.db2.gz FFOKQDIWXLKBEL-ZDUSSCGKSA-N 2 1 244.423 1.961 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000926646312 645332443 /nfs/dbraw/zinc/33/24/43/645332443.db2.gz XNALEVMXMKCSRI-MGPQQGTHSA-N 2 1 242.407 1.977 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC(=O)O2)CC[N@@H+]1C ZINC000851796305 645468089 /nfs/dbraw/zinc/46/80/89/645468089.db2.gz AOAOYVOYPXKJFN-UTUOFQBUSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC(=O)O2)CC[N@H+]1C ZINC000851796305 645468094 /nfs/dbraw/zinc/46/80/94/645468094.db2.gz AOAOYVOYPXKJFN-UTUOFQBUSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC(=O)O2)CC[NH+]1C ZINC000851796305 645468097 /nfs/dbraw/zinc/46/80/97/645468097.db2.gz AOAOYVOYPXKJFN-UTUOFQBUSA-N 2 1 240.347 1.107 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC(=O)O2)CC[NH+]1C ZINC000851796305 645468100 /nfs/dbraw/zinc/46/81/00/645468100.db2.gz AOAOYVOYPXKJFN-UTUOFQBUSA-N 2 1 240.347 1.107 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925494013 645726945 /nfs/dbraw/zinc/72/69/45/645726945.db2.gz NHLUXYQMENSXIO-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP CC[NH+]1CCC([NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000924571804 646073557 /nfs/dbraw/zinc/07/35/57/646073557.db2.gz WOOYRSXPLGJNIZ-RYUDHWBXSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924704683 646092451 /nfs/dbraw/zinc/09/24/51/646092451.db2.gz GZZFSEIIXIKTGG-KGLIPLIRSA-N 2 1 247.386 1.944 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924704682 646093985 /nfs/dbraw/zinc/09/39/85/646093985.db2.gz GZZFSEIIXIKTGG-KBPBESRZSA-N 2 1 247.386 1.944 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C(C)(C)CO ZINC000924917375 646128168 /nfs/dbraw/zinc/12/81/68/646128168.db2.gz PWQRXKOMWWKUKI-VXGBXAGGSA-N 2 1 230.396 1.713 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)CO ZINC000924917375 646128173 /nfs/dbraw/zinc/12/81/73/646128173.db2.gz PWQRXKOMWWKUKI-VXGBXAGGSA-N 2 1 230.396 1.713 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1COC[C@@H]1C ZINC000924950788 646140693 /nfs/dbraw/zinc/14/06/93/646140693.db2.gz KVJORVWTUWFSMR-MDZLAQPJSA-N 2 1 237.347 1.452 20 0 BDADMP Cn1ccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)c1 ZINC000925213079 646211198 /nfs/dbraw/zinc/21/11/98/646211198.db2.gz WSSSQTGISDXIDH-PBWFPOADSA-N 2 1 233.359 1.455 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnnc1 ZINC000925219108 646211999 /nfs/dbraw/zinc/21/19/99/646211999.db2.gz BVSJVTLZLBVXIJ-FPMFFAJLSA-N 2 1 248.374 2.000 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000929637667 646216107 /nfs/dbraw/zinc/21/61/07/646216107.db2.gz MOFNVUCVBUSZMZ-UONOGXRCSA-N 2 1 242.407 1.789 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925479483 646292856 /nfs/dbraw/zinc/29/28/56/646292856.db2.gz BNEMAVLNRHKCKN-HBNTYKKESA-N 2 1 214.353 1.124 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCO1 ZINC000925500146 646303889 /nfs/dbraw/zinc/30/38/89/646303889.db2.gz AENSRWSCKJXPBO-WDEREUQCSA-N 2 1 210.321 1.040 20 0 BDADMP C[N@@H+](CCN[C@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925499082 646303922 /nfs/dbraw/zinc/30/39/22/646303922.db2.gz MMEQKHADFZCGEC-ZDUSSCGKSA-N 2 1 239.407 1.591 20 0 BDADMP CCN(CC)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925501493 646304600 /nfs/dbraw/zinc/30/46/00/646304600.db2.gz ICBRBRMEQIWSNA-QWHCGFSZSA-N 2 1 241.423 1.824 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCO1 ZINC000925503159 646306668 /nfs/dbraw/zinc/30/66/68/646306668.db2.gz NJIOMJVTLYEUQH-RYUDHWBXSA-N 2 1 224.348 1.430 20 0 BDADMP C[NH+](C)CCCCN[C@H]1CC[NH2+]C1(C)C ZINC000925521592 646310927 /nfs/dbraw/zinc/31/09/27/646310927.db2.gz OIGWFDGSQUGTOI-NSHDSACASA-N 2 1 213.369 1.058 20 0 BDADMP COC/C(C)=C/C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929783562 646311933 /nfs/dbraw/zinc/31/19/33/646311933.db2.gz UIEUHLKJLUJYRB-GNZFURHMSA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C/C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929783562 646311935 /nfs/dbraw/zinc/31/19/35/646311935.db2.gz UIEUHLKJLUJYRB-GNZFURHMSA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C/C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929783562 646311937 /nfs/dbraw/zinc/31/19/37/646311937.db2.gz UIEUHLKJLUJYRB-GNZFURHMSA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C/C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929783562 646311939 /nfs/dbraw/zinc/31/19/39/646311939.db2.gz UIEUHLKJLUJYRB-GNZFURHMSA-N 2 1 240.391 1.994 20 0 BDADMP Cc1[nH+]ccn1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925533785 646320613 /nfs/dbraw/zinc/32/06/13/646320613.db2.gz FVGSDROIHSQFJO-LBPRGKRZSA-N 2 1 234.347 1.066 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000929790537 646322657 /nfs/dbraw/zinc/32/26/57/646322657.db2.gz KIUZDOPGOCBZRU-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000929790537 646322661 /nfs/dbraw/zinc/32/26/61/646322661.db2.gz KIUZDOPGOCBZRU-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000929790537 646322667 /nfs/dbraw/zinc/32/26/67/646322667.db2.gz KIUZDOPGOCBZRU-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925556476 646331780 /nfs/dbraw/zinc/33/17/80/646331780.db2.gz JNQDMHHEOOIOPJ-QWHCGFSZSA-N 2 1 227.396 1.447 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925557251 646333349 /nfs/dbraw/zinc/33/33/49/646333349.db2.gz NCCDDPKJHUSWNB-CHWSQXEVSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925557796 646333656 /nfs/dbraw/zinc/33/36/56/646333656.db2.gz QOLQXVNGHZRUGS-FPMFFAJLSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925574750 646335190 /nfs/dbraw/zinc/33/51/90/646335190.db2.gz DFAFBZDLSOGOKI-RYUDHWBXSA-N 2 1 227.396 1.447 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000925563110 646335640 /nfs/dbraw/zinc/33/56/40/646335640.db2.gz RMZCQNBRZZBIHG-AGIUHOORSA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925574751 646335957 /nfs/dbraw/zinc/33/59/57/646335957.db2.gz DFAFBZDLSOGOKI-VXGBXAGGSA-N 2 1 227.396 1.447 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCOC3CC3)CC[C@H]21 ZINC000929842872 646355570 /nfs/dbraw/zinc/35/55/70/646355570.db2.gz DYPYUUZPRMEATO-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCOC3CC3)CC[C@H]21 ZINC000929842872 646355573 /nfs/dbraw/zinc/35/55/73/646355573.db2.gz DYPYUUZPRMEATO-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOC3CC3)CC[C@H]21 ZINC000929842872 646355578 /nfs/dbraw/zinc/35/55/78/646355578.db2.gz DYPYUUZPRMEATO-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP Cc1occc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925615909 646363165 /nfs/dbraw/zinc/36/31/65/646363165.db2.gz JIMWNKYIDWDMIA-NWDGAFQWSA-N 2 1 220.316 1.948 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925614045 646363239 /nfs/dbraw/zinc/36/32/39/646363239.db2.gz WQKUCPUFJCTIDS-NEPJUHHUSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000925616368 646364979 /nfs/dbraw/zinc/36/49/79/646364979.db2.gz RQZDGJAPXNACRS-FDYHWXHSSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925634245 646377814 /nfs/dbraw/zinc/37/78/14/646377814.db2.gz ISWXBXQWZLGIGG-GRYCIOLGSA-N 2 1 226.364 1.410 20 0 BDADMP OCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925640929 646383336 /nfs/dbraw/zinc/38/33/36/646383336.db2.gz KRBCOOXUGKANIT-GFCCVEGCSA-N 2 1 238.375 1.413 20 0 BDADMP CC(C)C(C)(C)CN[C@H]1C[NH2+]CCOC1 ZINC000925645679 646387057 /nfs/dbraw/zinc/38/70/57/646387057.db2.gz RXQCLLQQWYTBFG-NSHDSACASA-N 2 1 214.353 1.247 20 0 BDADMP FCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925657432 646393672 /nfs/dbraw/zinc/39/36/72/646393672.db2.gz SHYIBUXIDGMIDI-NEPJUHHUSA-N 2 1 214.328 1.714 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925674439 646402086 /nfs/dbraw/zinc/40/20/86/646402086.db2.gz JIEMICCLBXHPBV-CHWSQXEVSA-N 2 1 238.375 1.676 20 0 BDADMP Cc1nccnc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925673251 646402454 /nfs/dbraw/zinc/40/24/54/646402454.db2.gz BTHXRLPCIDOAGH-LBPRGKRZSA-N 2 1 234.347 1.058 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925673205 646403253 /nfs/dbraw/zinc/40/32/53/646403253.db2.gz ZOMPYCIIXLHBDI-QWHCGFSZSA-N 2 1 239.407 1.591 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000925674573 646403564 /nfs/dbraw/zinc/40/35/64/646403564.db2.gz SAYMTOHBQIKUOV-JTQLQIEISA-N 2 1 214.328 1.999 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925678905 646406856 /nfs/dbraw/zinc/40/68/56/646406856.db2.gz APLGCULKZPOEPY-LLVKDONJSA-N 2 1 239.388 1.724 20 0 BDADMP C[NH2+]CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925690362 646411869 /nfs/dbraw/zinc/41/18/69/646411869.db2.gz JEOVMVQTQLFPCR-MNOVXSKESA-N 3 1 213.369 1.092 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000925686986 646411835 /nfs/dbraw/zinc/41/18/35/646411835.db2.gz CZYHGRIWPOWXIY-YVECIDJPSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000925701653 646424499 /nfs/dbraw/zinc/42/44/99/646424499.db2.gz CUDWJEVVEPKNCX-WUHRBBMRSA-N 3 1 225.380 1.057 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000925701652 646425456 /nfs/dbraw/zinc/42/54/56/646425456.db2.gz CUDWJEVVEPKNCX-RVMXOQNASA-N 3 1 225.380 1.057 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925701965 646425559 /nfs/dbraw/zinc/42/55/59/646425559.db2.gz IRKDUNWWPVYSDV-DGCLKSJQSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000925703020 646427946 /nfs/dbraw/zinc/42/79/46/646427946.db2.gz RXVZNUVSRMMEJG-IACUBPJLSA-N 2 1 245.370 1.753 20 0 BDADMP C1=C(CCN[C@@H]2CC[NH2+]C23CCCC3)CC[NH2+]C1 ZINC000925704318 646428805 /nfs/dbraw/zinc/42/88/05/646428805.db2.gz GCMHGSYVYNGEDF-CQSZACIVSA-N 2 1 249.402 1.561 20 0 BDADMP C1CC12C[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925705574 646430218 /nfs/dbraw/zinc/43/02/18/646430218.db2.gz LBPIRFXESVATCR-MNOVXSKESA-N 2 1 206.333 1.803 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCC[NH2+][C@H]1C ZINC000925709356 646435140 /nfs/dbraw/zinc/43/51/40/646435140.db2.gz IPUSJOQDIYVWIV-KBPBESRZSA-N 2 1 241.423 1.694 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCn3nccc32)C12CCC2 ZINC000925730547 646454530 /nfs/dbraw/zinc/45/45/30/646454530.db2.gz WNUXTXFHVWKDJN-UHTWSYAYSA-N 2 1 246.358 1.578 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])c2nccn21 ZINC000925739095 646461929 /nfs/dbraw/zinc/46/19/29/646461929.db2.gz SJINIMDZWQAOQP-ZJUUUORDSA-N 2 1 222.336 1.606 20 0 BDADMP Cn1ccnc1[C@@H]([NH2+]CCC(C)(C)[NH3+])C1CC1 ZINC000925740318 646462860 /nfs/dbraw/zinc/46/28/60/646462860.db2.gz IQXRYPHXCCYLKQ-NSHDSACASA-N 2 1 236.363 1.588 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@H](C)c2c[nH]nc2C)CC1 ZINC000925754956 646465328 /nfs/dbraw/zinc/46/53/28/646465328.db2.gz AJZOTVQQYXLKPT-LLVKDONJSA-N 2 1 236.363 1.982 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774946 646473133 /nfs/dbraw/zinc/47/31/33/646473133.db2.gz YDXDHTBKOJWBQJ-ZYHUDNBSSA-N 2 1 235.331 1.769 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925783507 646478821 /nfs/dbraw/zinc/47/88/21/646478821.db2.gz CXWPHBIWQJXSCT-YVECIDJPSA-N 2 1 239.407 1.338 20 0 BDADMP Cc1nc(C)c(CN2CC[N@H+](C)[C@H](C)[C@H]2C)[nH]1 ZINC000930177979 646480180 /nfs/dbraw/zinc/48/01/80/646480180.db2.gz RLHFSFMOWPEASP-GHMZBOCLSA-N 2 1 236.363 1.551 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000925784159 646481633 /nfs/dbraw/zinc/48/16/33/646481633.db2.gz ICYAOAPUGYZPJB-WXHSDQCUSA-N 2 1 248.374 1.316 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925797727 646487444 /nfs/dbraw/zinc/48/74/44/646487444.db2.gz VLFWQGMWNOJRAW-FVCCEPFGSA-N 2 1 237.391 1.092 20 0 BDADMP c1cnc2ccc(CC[NH2+][C@H]3CC[NH2+]C3)cc2c1 ZINC000925812486 646489583 /nfs/dbraw/zinc/48/95/83/646489583.db2.gz HSKGZDXTFIDXCH-AWEZNQCLSA-N 2 1 241.338 1.729 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925811174 646489723 /nfs/dbraw/zinc/48/97/23/646489723.db2.gz CMKCXMRDUMZPPW-KZVDOYCCSA-N 2 1 249.358 1.459 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925829452 646499971 /nfs/dbraw/zinc/49/99/71/646499971.db2.gz BZZIGEGYCKZYAH-AAVRWANBSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840585 646506316 /nfs/dbraw/zinc/50/63/16/646506316.db2.gz MUCAXMIHBVISLO-YVECIDJPSA-N 3 1 225.380 1.234 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000925853978 646511539 /nfs/dbraw/zinc/51/15/39/646511539.db2.gz DCZYVPFRNBHNNV-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925892450 646534520 /nfs/dbraw/zinc/53/45/20/646534520.db2.gz BJJLZKSGGQCIJF-AVGNSLFASA-N 2 1 238.375 1.818 20 0 BDADMP C[C@H]1COC[C@H](C)C1[NH2+]CCc1c[nH+]cn1C ZINC000926206191 646595527 /nfs/dbraw/zinc/59/55/27/646595527.db2.gz HPADWJTWVREZBD-QWRGUYRKSA-N 2 1 237.347 1.223 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(O)CCC1 ZINC000926378286 646630058 /nfs/dbraw/zinc/63/00/58/646630058.db2.gz HYVKQOLVOKCOOC-FUNVUKJBSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCn2ccnc21 ZINC000926501986 646663888 /nfs/dbraw/zinc/66/38/88/646663888.db2.gz GVGOKQDZZZFRGX-FXJUQPSGSA-N 2 1 246.358 1.258 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCn2ccnc21 ZINC000926501986 646663891 /nfs/dbraw/zinc/66/38/91/646663891.db2.gz GVGOKQDZZZFRGX-FXJUQPSGSA-N 2 1 246.358 1.258 20 0 BDADMP CCCc1noc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723713028 711535750 /nfs/dbraw/zinc/53/57/50/711535750.db2.gz LJILLJDXGDIDCK-JTQLQIEISA-N 2 1 238.335 1.193 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC000723881918 711543080 /nfs/dbraw/zinc/54/30/80/711543080.db2.gz DOCAKMNQWICDLL-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)c(C)[nH+]1 ZINC000724782499 711612554 /nfs/dbraw/zinc/61/25/54/711612554.db2.gz CDGORNQWBUJVHL-GXFFZTMASA-N 2 1 236.363 1.551 20 0 BDADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H](COC)C(C)C)C1 ZINC000721965873 711695280 /nfs/dbraw/zinc/69/52/80/711695280.db2.gz RBPQFGWVVPDVAR-NWDGAFQWSA-N 2 1 214.353 1.199 20 0 BDADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](COC)C(C)C)C1 ZINC000721965873 711695282 /nfs/dbraw/zinc/69/52/82/711695282.db2.gz RBPQFGWVVPDVAR-NWDGAFQWSA-N 2 1 214.353 1.199 20 0 BDADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000132493108 711960038 /nfs/dbraw/zinc/96/00/38/711960038.db2.gz VDWSSWFMUQSKJH-YFKTTZPYSA-N 2 1 228.405 1.940 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000708187120 712183879 /nfs/dbraw/zinc/18/38/79/712183879.db2.gz RAUAFXILIJPDJH-WRWGMCAJSA-N 2 1 212.337 1.081 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000708341332 712188733 /nfs/dbraw/zinc/18/87/33/712188733.db2.gz RTXCRTWXVFGUII-MNOVXSKESA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000708827628 712199903 /nfs/dbraw/zinc/19/99/03/712199903.db2.gz YEZSYQQOWMHHOP-MRVWCRGKSA-N 2 1 240.391 1.454 20 0 BDADMP FC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000711440769 712300760 /nfs/dbraw/zinc/30/07/60/712300760.db2.gz FSIJNIIUDSPBIY-NEPJUHHUSA-N 2 1 214.328 1.668 20 0 BDADMP C[N@@H+](C[C@H](O)CN1CCC[C@@H](CF)C1)C1CC1 ZINC000711453668 712303826 /nfs/dbraw/zinc/30/38/26/712303826.db2.gz UNKITXNBNQYXAM-AAEUAGOBSA-N 2 1 244.354 1.123 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CF)C1)C1CC1 ZINC000711453668 712303827 /nfs/dbraw/zinc/30/38/27/712303827.db2.gz UNKITXNBNQYXAM-AAEUAGOBSA-N 2 1 244.354 1.123 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CF)C1)C1CC1 ZINC000711453668 712303828 /nfs/dbraw/zinc/30/38/28/712303828.db2.gz UNKITXNBNQYXAM-AAEUAGOBSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CF)C1)C1CC1 ZINC000711453668 712303829 /nfs/dbraw/zinc/30/38/29/712303829.db2.gz UNKITXNBNQYXAM-AAEUAGOBSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CF)C1)C1CC1 ZINC000711453668 712303831 /nfs/dbraw/zinc/30/38/31/712303831.db2.gz UNKITXNBNQYXAM-AAEUAGOBSA-N 2 1 244.354 1.123 20 0 BDADMP FC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000711458896 712304825 /nfs/dbraw/zinc/30/48/25/712304825.db2.gz ZCXNYRURRNJNFQ-GFCCVEGCSA-N 2 1 214.328 1.668 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711586365 712311192 /nfs/dbraw/zinc/31/11/92/712311192.db2.gz JCGKOMLDYXGLTJ-HRDYMLBCSA-N 2 1 236.331 1.264 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711586365 712311193 /nfs/dbraw/zinc/31/11/93/712311193.db2.gz JCGKOMLDYXGLTJ-HRDYMLBCSA-N 2 1 236.331 1.264 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000712557925 712445334 /nfs/dbraw/zinc/44/53/34/712445334.db2.gz OWGAEQBBDADNTN-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP C=C/C=C/CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000713759802 712472057 /nfs/dbraw/zinc/47/20/57/712472057.db2.gz TZBKZDHTVLDSJB-PCAWENJQSA-N 2 1 210.321 1.168 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715480212 712520539 /nfs/dbraw/zinc/52/05/39/712520539.db2.gz JBCGFTAWRBOKAI-KBPBESRZSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715560384 712528155 /nfs/dbraw/zinc/52/81/55/712528155.db2.gz BLKSOUDDHNYKOP-RYSNWHEDSA-N 3 1 239.407 1.589 20 0 BDADMP CC[C@@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716841472 712578067 /nfs/dbraw/zinc/57/80/67/712578067.db2.gz DZSKUICJAMFLSU-WSOGJNRSSA-N 2 1 240.391 1.751 20 0 BDADMP Cc1[nH+]ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1Cl ZINC000719569207 712809734 /nfs/dbraw/zinc/80/97/34/712809734.db2.gz HQHNCXFHXVLFCG-NXEZZACHSA-N 2 1 239.750 1.970 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCC[NH3+])CCO1 ZINC000719782577 712824620 /nfs/dbraw/zinc/82/46/20/712824620.db2.gz PAGOMVZCANLGHD-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719834016 712824186 /nfs/dbraw/zinc/82/41/86/712824186.db2.gz USRACWCHAILNRU-SNVBAGLBSA-N 2 1 225.361 1.356 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000721909218 710689367 /nfs/dbraw/zinc/68/93/67/710689367.db2.gz RBSSESJGOITJGP-ZDEQEGDKSA-N 2 1 226.364 1.471 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000723039426 710723588 /nfs/dbraw/zinc/72/35/88/710723588.db2.gz RDRGDBMZKQSAIV-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383787721 710931780 /nfs/dbraw/zinc/93/17/80/710931780.db2.gz QKWKSNPTYIIMDG-UONOGXRCSA-N 2 1 238.375 1.770 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)CCCCCC[NH3+] ZINC000385296498 711010482 /nfs/dbraw/zinc/01/04/82/711010482.db2.gz DJXWFSWBHDDEHP-NSHDSACASA-N 2 1 230.352 1.246 20 0 BDADMP CC[N@@H+](CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000385543576 711014737 /nfs/dbraw/zinc/01/47/37/711014737.db2.gz VAZNFVRNXOFVNV-XSXPHNMFSA-N 2 1 249.402 1.057 20 0 BDADMP COCC[C@H](C)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000388013115 711049220 /nfs/dbraw/zinc/04/92/20/711049220.db2.gz DARGEBBHELXNOD-UWVGGRQHSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[C@H](C)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388013115 711049226 /nfs/dbraw/zinc/04/92/26/711049226.db2.gz DARGEBBHELXNOD-UWVGGRQHSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388013115 711049231 /nfs/dbraw/zinc/04/92/31/711049231.db2.gz DARGEBBHELXNOD-UWVGGRQHSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000389706364 711087654 /nfs/dbraw/zinc/08/76/54/711087654.db2.gz LBJJGDKWQYJZNY-UTLUCORTSA-N 2 1 220.307 1.947 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000389706364 711087658 /nfs/dbraw/zinc/08/76/58/711087658.db2.gz LBJJGDKWQYJZNY-UTLUCORTSA-N 2 1 220.307 1.947 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000390433685 711115963 /nfs/dbraw/zinc/11/59/63/711115963.db2.gz QWVUQPAANYQDMN-KPPDAEKUSA-N 2 1 232.318 1.962 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000390702256 711131932 /nfs/dbraw/zinc/13/19/32/711131932.db2.gz AEUVDMSMCXTEEX-HNNXBMFYSA-N 2 1 248.370 1.874 20 0 BDADMP C(CC1CC1)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000394504537 711193252 /nfs/dbraw/zinc/19/32/52/711193252.db2.gz UAZLSXCWYSZRJM-ZDUSSCGKSA-N 2 1 208.349 1.862 20 0 BDADMP CCC[NH+](CCC)C[C@H](O)C[NH+]1CCCC1 ZINC000393820889 711175936 /nfs/dbraw/zinc/17/59/36/711175936.db2.gz RMRBAAOZWVGFLM-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CC[C@@H](C)C[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000393903022 711178675 /nfs/dbraw/zinc/17/86/75/711178675.db2.gz QJTKZRJRWMEJFU-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000393903022 711178677 /nfs/dbraw/zinc/17/86/77/711178677.db2.gz QJTKZRJRWMEJFU-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396612689 711361825 /nfs/dbraw/zinc/36/18/25/711361825.db2.gz FJBHWBQWPYKYOA-NWDGAFQWSA-N 2 1 214.353 1.532 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000396646783 711362272 /nfs/dbraw/zinc/36/22/72/711362272.db2.gz CKSFJUPJUGEEEY-ADEWGFFLSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000395342083 711208864 /nfs/dbraw/zinc/20/88/64/711208864.db2.gz YOKCYTOXNYDYQO-CYBMUJFWSA-N 2 1 236.363 1.171 20 0 BDADMP CCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CCOCC1 ZINC000396598667 711354746 /nfs/dbraw/zinc/35/47/46/711354746.db2.gz MKDMIXSQQKSJOT-STQMWFEESA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000396611744 711354855 /nfs/dbraw/zinc/35/48/55/711354855.db2.gz RCVPPPBLOSLYHS-PWSUYJOCSA-N 2 1 212.337 1.143 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000396581833 711357338 /nfs/dbraw/zinc/35/73/38/711357338.db2.gz FQTWMVDNJJIFJR-AAEUAGOBSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000396723701 711369184 /nfs/dbraw/zinc/36/91/84/711369184.db2.gz UXWYUYQHLGPYFC-RYUDHWBXSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000398595529 711413088 /nfs/dbraw/zinc/41/30/88/711413088.db2.gz BTHYXWXNUIWWHG-FIQHERPVSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000398595528 711413763 /nfs/dbraw/zinc/41/37/63/711413763.db2.gz BTHYXWXNUIWWHG-BJDJZHNGSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@H]1COCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000399187067 711424203 /nfs/dbraw/zinc/42/42/03/711424203.db2.gz UHQVUUKRWYWXKA-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399283272 711425926 /nfs/dbraw/zinc/42/59/26/711425926.db2.gz ZEFAHIMPQFLIQW-IUCAKERBSA-N 2 1 237.174 1.851 20 0 BDADMP ClC1(Cl)C[C@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000399248733 711426251 /nfs/dbraw/zinc/42/62/51/711426251.db2.gz JEJDCLKZFFJRTJ-KXUCPTDWSA-N 2 1 249.185 1.722 20 0 BDADMP ClC1(Cl)C[C@H]1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000399248733 711426254 /nfs/dbraw/zinc/42/62/54/711426254.db2.gz JEJDCLKZFFJRTJ-KXUCPTDWSA-N 2 1 249.185 1.722 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3N)C[C@@H]2C1 ZINC000381465273 710640335 /nfs/dbraw/zinc/64/03/35/710640335.db2.gz XTDYECSGTDVGHE-YPMHNXCESA-N 2 1 246.358 1.047 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3N)C[C@@H]2C1 ZINC000381465273 710640337 /nfs/dbraw/zinc/64/03/37/710640337.db2.gz XTDYECSGTDVGHE-YPMHNXCESA-N 2 1 246.358 1.047 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3N)C[C@@H]2C1 ZINC000381465273 710640338 /nfs/dbraw/zinc/64/03/38/710640338.db2.gz XTDYECSGTDVGHE-YPMHNXCESA-N 2 1 246.358 1.047 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000723102825 710725915 /nfs/dbraw/zinc/72/59/15/710725915.db2.gz NHVOPMQJZQCQSQ-WOPDTQHZSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000396686230 711364652 /nfs/dbraw/zinc/36/46/52/711364652.db2.gz YHCAMVUJHRIQTE-APYLGABCSA-N 2 1 237.391 1.342 20 0 BDADMP CCOCCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396714434 711365441 /nfs/dbraw/zinc/36/54/41/711365441.db2.gz QUAFSEYVTCJVFJ-RYUDHWBXSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000396673833 711365509 /nfs/dbraw/zinc/36/55/09/711365509.db2.gz RUFXYNQVYRTBOD-SRVKXCTJSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000397708731 711389583 /nfs/dbraw/zinc/38/95/83/711389583.db2.gz OCCYSJWOHKNPJN-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000723081308 711501262 /nfs/dbraw/zinc/50/12/62/711501262.db2.gz UKYVGYWZJSBNBK-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000123881235 711506813 /nfs/dbraw/zinc/50/68/13/711506813.db2.gz RGPLJRAIVCHGMD-GFCCVEGCSA-N 2 1 246.354 1.553 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000123881235 711506815 /nfs/dbraw/zinc/50/68/15/711506815.db2.gz RGPLJRAIVCHGMD-GFCCVEGCSA-N 2 1 246.354 1.553 20 0 BDADMP C[C@@H]([NH2+]CCc1cn(C)cn1)[C@@H]1CCCC[NH2+]1 ZINC000313309634 711514685 /nfs/dbraw/zinc/51/46/85/711514685.db2.gz VMFFHLQLOKXFQG-YPMHNXCESA-N 2 1 236.363 1.083 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccccc2)C1 ZINC000235707194 711524453 /nfs/dbraw/zinc/52/44/53/711524453.db2.gz MPCMFMYHALLRBU-CQSZACIVSA-N 2 1 234.343 1.736 20 0 BDADMP Cc1nc(C)c(C[N@H+](C)C2CCC([NH3+])CC2)o1 ZINC000723632518 711527739 /nfs/dbraw/zinc/52/77/39/711527739.db2.gz FUUGIFNHONXVIF-UHFFFAOYSA-N 2 1 237.347 1.993 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723655529 711531778 /nfs/dbraw/zinc/53/17/78/711531778.db2.gz PRUQDAHTFOVVRC-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP CCCc1noc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723713028 711535749 /nfs/dbraw/zinc/53/57/49/711535749.db2.gz LJILLJDXGDIDCK-JTQLQIEISA-N 2 1 238.335 1.193 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccnc2Cl)C1 ZINC000723712119 711536044 /nfs/dbraw/zinc/53/60/44/711536044.db2.gz MZDQRWNCLZQZNC-JTQLQIEISA-N 2 1 239.750 1.906 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000723877826 711542458 /nfs/dbraw/zinc/54/24/58/711542458.db2.gz ZGSGQRYNCPYLDU-CQSZACIVSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000723877826 711542461 /nfs/dbraw/zinc/54/24/61/711542461.db2.gz ZGSGQRYNCPYLDU-CQSZACIVSA-N 2 1 233.359 1.869 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893502 711544096 /nfs/dbraw/zinc/54/40/96/711544096.db2.gz AAXSLSDJEJCXIJ-VXGBXAGGSA-N 2 1 228.380 1.576 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@H]1CC[NH3+] ZINC000723892294 711544313 /nfs/dbraw/zinc/54/43/13/711544313.db2.gz QZTWRDCQKKFZCE-DGCLKSJQSA-N 2 1 208.349 1.869 20 0 BDADMP C[C@@H]1C[N@@H+](CCOC2CC2)C[C@H]1CC[NH3+] ZINC000723908861 711544762 /nfs/dbraw/zinc/54/47/62/711544762.db2.gz UNRZUAAIJOMDAP-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccn2C2CC2)C[C@H]1CC[NH3+] ZINC000723916344 711544822 /nfs/dbraw/zinc/54/48/22/711544822.db2.gz UNUYJAHYSZFGRO-VXGBXAGGSA-N 2 1 248.374 1.635 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]1C ZINC000309095369 711662069 /nfs/dbraw/zinc/66/20/69/711662069.db2.gz CPIBMUYDALNUGU-CMPLNLGQSA-N 2 1 207.321 1.970 20 0 BDADMP C[N@H+](C[C@H]1COc2ccccc2O1)C1CC([NH3+])C1 ZINC000395119950 711692383 /nfs/dbraw/zinc/69/23/83/711692383.db2.gz WVFSFSHTMTUFBH-MCIGGMRASA-N 2 1 248.326 1.248 20 0 BDADMP C[N@@H+](C[C@H]1COc2ccccc2O1)C1CC([NH3+])C1 ZINC000395119950 711692385 /nfs/dbraw/zinc/69/23/85/711692385.db2.gz WVFSFSHTMTUFBH-MCIGGMRASA-N 2 1 248.326 1.248 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCCCO ZINC000396617553 711702784 /nfs/dbraw/zinc/70/27/84/711702784.db2.gz GTAYKFQEPSHDAV-NEPJUHHUSA-N 2 1 214.353 1.269 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925718157 711714016 /nfs/dbraw/zinc/71/40/16/711714016.db2.gz XCSQOHWTUMYGSY-OLZOCXBDSA-N 2 1 240.391 1.922 20 0 BDADMP CC1(C[NH2+][C@H]2CCCc3[nH]ncc32)CC[NH2+]CC1 ZINC000335025000 711720048 /nfs/dbraw/zinc/72/00/48/711720048.db2.gz PXHUOBRJRYENPF-LBPRGKRZSA-N 2 1 248.374 1.766 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722324733 711737350 /nfs/dbraw/zinc/73/73/50/711737350.db2.gz MSTHWLZBQGIKJS-AHLTXXRQSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000925787336 711751179 /nfs/dbraw/zinc/75/11/79/711751179.db2.gz YNPUBBPXXBXCHA-ZOBORPQBSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925787336 711751183 /nfs/dbraw/zinc/75/11/83/711751183.db2.gz YNPUBBPXXBXCHA-ZOBORPQBSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000925787336 711751185 /nfs/dbraw/zinc/75/11/85/711751185.db2.gz YNPUBBPXXBXCHA-ZOBORPQBSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925879800 711762156 /nfs/dbraw/zinc/76/21/56/711762156.db2.gz CKWCUEQGZDHIJC-LOWDOPEQSA-N 2 1 208.349 1.907 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396602265 711788267 /nfs/dbraw/zinc/78/82/67/711788267.db2.gz HKOZRQJFUHOCKH-AVGNSLFASA-N 2 1 227.396 1.447 20 0 BDADMP CCc1cc(N[C@H]2C[NH2+]CC2(C)C)nc(C)[nH+]1 ZINC000721865382 711792142 /nfs/dbraw/zinc/79/21/42/711792142.db2.gz JTWUCYFLNSOZTM-NSHDSACASA-N 2 1 234.347 1.757 20 0 BDADMP C([NH2+][C@@H]1CCCSC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000061588238 711839061 /nfs/dbraw/zinc/83/90/61/711839061.db2.gz BQIMJNZPEDGVED-VXGBXAGGSA-N 2 1 240.416 1.956 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721910914 711917362 /nfs/dbraw/zinc/91/73/62/711917362.db2.gz GPFONMATMDQTCT-AGIUHOORSA-N 2 1 228.380 1.574 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000721959053 711947948 /nfs/dbraw/zinc/94/79/48/711947948.db2.gz DVWSGUXTMKOSGO-BJJPWKGXSA-N 2 1 240.391 1.717 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)CCCCCC[NH3+])C1 ZINC000721958260 711948028 /nfs/dbraw/zinc/94/80/28/711948028.db2.gz WVHGGKOWOLWNKL-BETUJISGSA-N 2 1 228.380 1.862 20 0 BDADMP COc1cncc(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000700010306 711982891 /nfs/dbraw/zinc/98/28/91/711982891.db2.gz CSKKSZVIUPCXOT-NSHDSACASA-N 2 1 237.347 1.520 20 0 BDADMP COc1cncc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000700058097 711984971 /nfs/dbraw/zinc/98/49/71/711984971.db2.gz HQMZXHKEBSRZJO-UHFFFAOYSA-N 2 1 247.342 1.442 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700382838 711991626 /nfs/dbraw/zinc/99/16/26/711991626.db2.gz GIZSLBQXQAWAJM-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1CO ZINC000700402176 711991925 /nfs/dbraw/zinc/99/19/25/711991925.db2.gz ZCWDKRMJIICULP-GXTWGEPZSA-N 2 1 240.391 1.279 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCC1 ZINC000702111406 712039022 /nfs/dbraw/zinc/03/90/22/712039022.db2.gz RRVRZTIDQAXUCT-WCQYABFASA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCF)CC[NH2+]1 ZINC000703161285 712066834 /nfs/dbraw/zinc/06/68/34/712066834.db2.gz AJTFIUYKWMEGCW-GHMZBOCLSA-N 2 1 202.317 1.666 20 0 BDADMP COC1CC(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703297160 712071222 /nfs/dbraw/zinc/07/12/22/712071222.db2.gz DGECNCJRGPPJRW-HPCMXSDISA-N 2 1 238.375 1.626 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703597498 712079293 /nfs/dbraw/zinc/07/92/93/712079293.db2.gz UVBABGSEWIHJIM-DZGCQCFKSA-N 2 1 246.354 1.737 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703597498 712079295 /nfs/dbraw/zinc/07/92/95/712079295.db2.gz UVBABGSEWIHJIM-DZGCQCFKSA-N 2 1 246.354 1.737 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](CC)CO1 ZINC000703616589 712081519 /nfs/dbraw/zinc/08/15/19/712081519.db2.gz OIOSHUSQJGFCMG-YVECIDJPSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000703816750 712089054 /nfs/dbraw/zinc/08/90/54/712089054.db2.gz NDNJRTUNWIJRLE-PJIALRRASA-N 2 1 238.375 1.626 20 0 BDADMP COC1CC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000703851421 712090461 /nfs/dbraw/zinc/09/04/61/712090461.db2.gz XJCHHXPTFYJVBA-PYNQCMFNSA-N 2 1 224.348 1.095 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000703851421 712090463 /nfs/dbraw/zinc/09/04/63/712090463.db2.gz XJCHHXPTFYJVBA-PYNQCMFNSA-N 2 1 224.348 1.095 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC(OC)C2)CC[C@@H]1[NH3+] ZINC000703909242 712094459 /nfs/dbraw/zinc/09/44/59/712094459.db2.gz YLSAMDBBCMMBOZ-MVKMKZAISA-N 2 1 226.364 1.471 20 0 BDADMP CCC(F)(F)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000704724657 712113825 /nfs/dbraw/zinc/11/38/25/712113825.db2.gz UTHSXQJWHUTXKQ-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP CCC(F)(F)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000704724657 712113826 /nfs/dbraw/zinc/11/38/26/712113826.db2.gz UTHSXQJWHUTXKQ-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)nc(N)[nH+]1 ZINC000705151831 712123490 /nfs/dbraw/zinc/12/34/90/712123490.db2.gz NIIWDBQCHJKFMR-LLVKDONJSA-N 2 1 249.362 1.145 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]([NH3+])CC(F)F ZINC000706419293 712146028 /nfs/dbraw/zinc/14/60/28/712146028.db2.gz ZKOXBZDFIWACGX-HLTSFMKQSA-N 2 1 206.280 1.842 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@H]1CCCC12CC2)CC(F)F ZINC000706581942 712150656 /nfs/dbraw/zinc/15/06/56/712150656.db2.gz LZYJBRZKYQUJBK-BDAKNGLRSA-N 2 1 218.291 1.891 20 0 BDADMP CC1([NH3+])CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000707658395 712176310 /nfs/dbraw/zinc/17/63/10/712176310.db2.gz LFQBGVYABRGOBL-QMMMGPOBSA-N 2 1 240.269 1.113 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708333194 712188500 /nfs/dbraw/zinc/18/85/00/712188500.db2.gz UTOVGSAJNCNORB-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[N@@H+](C3CC3)C1)[NH2+]2 ZINC000709487733 712222805 /nfs/dbraw/zinc/22/28/05/712222805.db2.gz BRFSBNGTNKGYDP-NUNXZZDCSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[N@H+](C3CC3)C1)[NH2+]2 ZINC000709487733 712222806 /nfs/dbraw/zinc/22/28/06/712222806.db2.gz BRFSBNGTNKGYDP-NUNXZZDCSA-N 2 1 249.402 1.342 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCCCO1)C2 ZINC000709826050 712228621 /nfs/dbraw/zinc/22/86/21/712228621.db2.gz KCMINBIOHQMMOV-ZDEQEGDKSA-N 2 1 224.348 1.367 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CCCCO1)C2 ZINC000709864935 712229760 /nfs/dbraw/zinc/22/97/60/712229760.db2.gz VOHMIJPUXUENHU-XUXIUFHCSA-N 2 1 238.375 1.757 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC1(OC)OC ZINC000710985798 712271759 /nfs/dbraw/zinc/27/17/59/712271759.db2.gz CUQOVMPVGOTLGG-GFCCVEGCSA-N 2 1 244.379 1.459 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000923479706 712334231 /nfs/dbraw/zinc/33/42/31/712334231.db2.gz BKGVCRMTESTPLG-LBPRGKRZSA-N 2 1 246.354 1.888 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CCc2cccnc21)C[NH+](C)C ZINC000379789365 712399396 /nfs/dbraw/zinc/39/93/96/712399396.db2.gz JRAQZHTWHNPCFZ-AAEUAGOBSA-N 2 1 233.359 1.856 20 0 BDADMP C[N@H+]1CCN(c2cc[nH+]c(CO)c2)CCC1(C)C ZINC000712632615 712438979 /nfs/dbraw/zinc/43/89/79/712438979.db2.gz NGVOXZAAQMYTQP-UHFFFAOYSA-N 2 1 249.358 1.494 20 0 BDADMP C[N@H+]1CCN(c2cc[nH+]cc2CO)CCC1(C)C ZINC000712632224 712439279 /nfs/dbraw/zinc/43/92/79/712439279.db2.gz LICSKUQEOKKIFQ-UHFFFAOYSA-N 2 1 249.358 1.494 20 0 BDADMP CC(C)OCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712552260 712444734 /nfs/dbraw/zinc/44/47/34/712444734.db2.gz XUKZMXWHDPOYAL-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)OCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712552260 712444735 /nfs/dbraw/zinc/44/47/35/712444735.db2.gz XUKZMXWHDPOYAL-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[NH2+]CCC2(C)C)C1 ZINC000712577207 712448320 /nfs/dbraw/zinc/44/83/20/712448320.db2.gz NWFUPXGKFNVIEV-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713584354 712466342 /nfs/dbraw/zinc/46/63/42/712466342.db2.gz DQEYHUSJULYXJT-RWMBFGLXSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@H+](C[C@H]1CCC(C)(C)CO1)[C@H](C[NH3+])C1CC1 ZINC000713585661 712466355 /nfs/dbraw/zinc/46/63/55/712466355.db2.gz KNYZTWYWMKYUAF-CHWSQXEVSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+](C[C@H]1CCC(C)(C)CO1)[C@H](C[NH3+])C1CC1 ZINC000713585661 712466356 /nfs/dbraw/zinc/46/63/56/712466356.db2.gz KNYZTWYWMKYUAF-CHWSQXEVSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@H+](CC[NH3+])CC[C@H]1CCCC1(F)F ZINC000713975149 712475404 /nfs/dbraw/zinc/47/54/04/712475404.db2.gz MUJPCQVWAQEZSJ-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP C[N@@H+](CC[NH3+])CC[C@H]1CCCC1(F)F ZINC000713975149 712475405 /nfs/dbraw/zinc/47/54/05/712475405.db2.gz MUJPCQVWAQEZSJ-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000714612230 712488083 /nfs/dbraw/zinc/48/80/83/712488083.db2.gz DXINWFGVKJIKPY-KKOKHZNYSA-N 2 1 212.337 1.142 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1CC([NH3+])C1 ZINC000715391046 712522241 /nfs/dbraw/zinc/52/22/41/712522241.db2.gz VFDXOADWKNEAAB-TYUFSLCMSA-N 2 1 224.348 1.366 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715511674 712524652 /nfs/dbraw/zinc/52/46/52/712524652.db2.gz STZVTGUQECZCDC-AHLTXXRQSA-N 2 1 238.375 1.613 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715511677 712524672 /nfs/dbraw/zinc/52/46/72/712524672.db2.gz STZVTGUQECZCDC-ASEORRQLSA-N 2 1 238.375 1.613 20 0 BDADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000715513673 712524935 /nfs/dbraw/zinc/52/49/35/712524935.db2.gz SCPZEQVXXIGOHD-MOKVOYLWSA-N 3 1 239.407 1.591 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715513106 712525202 /nfs/dbraw/zinc/52/52/02/712525202.db2.gz YTCNVWDOIGEMTA-KGLIPLIRSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1[nH]nc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000716459886 712562308 /nfs/dbraw/zinc/56/23/08/712562308.db2.gz BOQRVFNLLRGZCV-STQMWFEESA-N 2 1 248.374 1.743 20 0 BDADMP Cc1[nH]nc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000716459886 712562309 /nfs/dbraw/zinc/56/23/09/712562309.db2.gz BOQRVFNLLRGZCV-STQMWFEESA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000716459886 712562310 /nfs/dbraw/zinc/56/23/10/712562310.db2.gz BOQRVFNLLRGZCV-STQMWFEESA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000716459886 712562311 /nfs/dbraw/zinc/56/23/11/712562311.db2.gz BOQRVFNLLRGZCV-STQMWFEESA-N 2 1 248.374 1.743 20 0 BDADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000719571679 712811430 /nfs/dbraw/zinc/81/14/30/712811430.db2.gz SOUKRGNLCHKUAB-JQWIXIFHSA-N 2 1 205.305 1.316 20 0 BDADMP C[C@H]1[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1C ZINC000719620759 712817478 /nfs/dbraw/zinc/81/74/78/712817478.db2.gz WYPRPAIJSMSWNY-SMDDNHRTSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H](O)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719824174 712823857 /nfs/dbraw/zinc/82/38/57/712823857.db2.gz ZXMURKDOCKXGSE-IUKMKKQMSA-N 2 1 238.375 1.220 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2ccns2)CC[C@H]1[NH3+] ZINC000719845912 712826227 /nfs/dbraw/zinc/82/62/27/712826227.db2.gz QRERWWNAKNTMOO-ZYHUDNBSSA-N 2 1 239.388 1.745 20 0 BDADMP C[C@]1(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000250809095 712834768 /nfs/dbraw/zinc/83/47/68/712834768.db2.gz SPGFMMYUAVNIKR-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]1(C[N@H+]2CCO[C@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000250809095 712834771 /nfs/dbraw/zinc/83/47/71/712834771.db2.gz SPGFMMYUAVNIKR-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(C)nn1 ZINC000720581995 712854126 /nfs/dbraw/zinc/85/41/26/712854126.db2.gz IQRONOCCVUBYCU-GXFFZTMASA-N 2 1 234.347 1.405 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(C)nn1 ZINC000720581995 712854128 /nfs/dbraw/zinc/85/41/28/712854128.db2.gz IQRONOCCVUBYCU-GXFFZTMASA-N 2 1 234.347 1.405 20 0 BDADMP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(C)nn1 ZINC000720582334 712854321 /nfs/dbraw/zinc/85/43/21/712854321.db2.gz LGVVGMIQXBJWDG-UHFFFAOYSA-N 2 1 236.363 1.510 20 0 BDADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(C)nn1 ZINC000720582334 712854322 /nfs/dbraw/zinc/85/43/22/712854322.db2.gz LGVVGMIQXBJWDG-UHFFFAOYSA-N 2 1 236.363 1.510 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(C)nn1 ZINC000720588183 712855434 /nfs/dbraw/zinc/85/54/34/712855434.db2.gz SDFHMRXGPJNTMK-CQSZACIVSA-N 2 1 248.374 1.797 20 0 BDADMP CC1(C)C[N@H+](C[C@H]2CCSC2)C[C@@H]1[NH3+] ZINC000720742654 712863421 /nfs/dbraw/zinc/86/34/21/712863421.db2.gz STNJPAPXTIOEKW-ZJUUUORDSA-N 2 1 214.378 1.409 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCSC2)C[C@@H]1[NH3+] ZINC000720742654 712863423 /nfs/dbraw/zinc/86/34/23/712863423.db2.gz STNJPAPXTIOEKW-ZJUUUORDSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720799395 712866262 /nfs/dbraw/zinc/86/62/62/712866262.db2.gz ZRDPBNKBVPGXMY-ZYUZMQFOSA-N 2 1 236.281 1.711 20 0 BDADMP COCCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720805260 712867050 /nfs/dbraw/zinc/86/70/50/712867050.db2.gz LEXKVJMLDJJZGX-IUCAKERBSA-N 2 1 240.269 1.092 20 0 BDADMP COc1ccc(CC[N@@H+]2C[C@@H](N)C(C)(C)C2)cc1 ZINC000720812964 712867750 /nfs/dbraw/zinc/86/77/50/712867750.db2.gz JKJPSSHFFPVODQ-CQSZACIVSA-N 2 1 248.370 1.907 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@@H](N)C(C)(C)C2)cc1 ZINC000720812964 712867751 /nfs/dbraw/zinc/86/77/51/712867751.db2.gz JKJPSSHFFPVODQ-CQSZACIVSA-N 2 1 248.370 1.907 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720820800 712868841 /nfs/dbraw/zinc/86/88/41/712868841.db2.gz NJRIGZFFLYHBJZ-YIYPIFLZSA-N 2 1 238.375 1.615 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000720886672 712874242 /nfs/dbraw/zinc/87/42/42/712874242.db2.gz CNBMIMCWXWIJTN-UONOGXRCSA-N 2 1 237.391 1.155 20 0 BDADMP CC(C)C[NH+]1CCN(c2cccc(N)[nH+]2)CC1 ZINC000168787091 719331452 /nfs/dbraw/zinc/33/14/52/719331452.db2.gz KWGYCTPQPKKAFD-UHFFFAOYSA-N 2 1 234.347 1.442 20 0 BDADMP CCCOCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399034257 958488441 /nfs/dbraw/zinc/48/84/41/958488441.db2.gz NPQNGWZEMJWHKS-RYUDHWBXSA-N 2 1 214.353 1.533 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724801635 959313327 /nfs/dbraw/zinc/31/33/27/959313327.db2.gz BHWLCWFZBHSYJW-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cncn2C)C1 ZINC001204386721 963924687 /nfs/dbraw/zinc/92/46/87/963924687.db2.gz YRAULHBRVZQGLF-GFCCVEGCSA-N 2 1 236.363 1.335 20 0 BDADMP CC[C@]([NH3+])(CO)Nc1[nH+]ccc2[nH]ccc21 ZINC001159740095 964171162 /nfs/dbraw/zinc/17/11/62/964171162.db2.gz ZLHCIXADQLFBPT-LLVKDONJSA-N 2 1 220.276 1.032 20 0 BDADMP CCC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161245159 964559917 /nfs/dbraw/zinc/55/99/17/964559917.db2.gz JRLLOVYXCRMXBK-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc[nH]c2=O)CC1 ZINC001205094976 965734782 /nfs/dbraw/zinc/73/47/82/965734782.db2.gz SFKPFQKDQKRBKE-NSHDSACASA-N 2 1 221.304 1.100 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000699552773 965965054 /nfs/dbraw/zinc/96/50/54/965965054.db2.gz LLGIZANELJUNEW-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000715580904 967195953 /nfs/dbraw/zinc/19/59/53/967195953.db2.gz OEGJTRHLNWQSNI-MELADBBJSA-N 2 1 239.407 1.543 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001204848714 967199886 /nfs/dbraw/zinc/19/98/86/967199886.db2.gz RHTSCUBFZSWSIG-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(N)c2)C1 ZINC001204946479 967252062 /nfs/dbraw/zinc/25/20/62/967252062.db2.gz OQWVCBNEEKVLMI-ZDUSSCGKSA-N 2 1 219.332 1.582 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC001204946479 967252070 /nfs/dbraw/zinc/25/20/70/967252070.db2.gz OQWVCBNEEKVLMI-ZDUSSCGKSA-N 2 1 219.332 1.582 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205093476 967337309 /nfs/dbraw/zinc/33/73/09/967337309.db2.gz AYJORKNJHDAPOC-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccncn2)CC1 ZINC001205272995 967467414 /nfs/dbraw/zinc/46/74/14/967467414.db2.gz BWGBXISFPHYPOX-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccncn2)CC1 ZINC001205272995 967467418 /nfs/dbraw/zinc/46/74/18/967467418.db2.gz BWGBXISFPHYPOX-LBPRGKRZSA-N 2 1 220.320 1.180 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCC2(C)OCCO2)CC1 ZINC000715917185 967708030 /nfs/dbraw/zinc/70/80/30/967708030.db2.gz LVIZMIGDILVWIO-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CSCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205735647 967808089 /nfs/dbraw/zinc/80/80/89/967808089.db2.gz OZQWOUNPFLONAZ-SECBINFHSA-N 2 1 238.347 1.655 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205903499 967881689 /nfs/dbraw/zinc/88/16/89/967881689.db2.gz PRTJJPDRACVHGJ-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP CC[C@@H](CCC(=O)OC)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053305 968023834 /nfs/dbraw/zinc/02/38/34/968023834.db2.gz QOLVTBMJUNKYCL-GRYCIOLGSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001206296223 968200602 /nfs/dbraw/zinc/20/06/02/968200602.db2.gz QJYUMMYDDGLYGG-CQSZACIVSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)[C@H]1CO ZINC001207274738 968707582 /nfs/dbraw/zinc/70/75/82/968707582.db2.gz FWSXJTQGQWNEEP-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP CC(=O)[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207282289 968713450 /nfs/dbraw/zinc/71/34/50/968713450.db2.gz GNCPURWMNSEVGP-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC(=O)[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207282289 968713461 /nfs/dbraw/zinc/71/34/61/968713461.db2.gz GNCPURWMNSEVGP-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC(=O)C1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207287105 968716262 /nfs/dbraw/zinc/71/62/62/968716262.db2.gz XRJQRGNDUKJVLS-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001207282459 968718098 /nfs/dbraw/zinc/71/80/98/968718098.db2.gz JZVYSLUMVLNMGA-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207391883 968746948 /nfs/dbraw/zinc/74/69/48/968746948.db2.gz PYMNOSWZEZCRSP-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480001 968795549 /nfs/dbraw/zinc/79/55/49/968795549.db2.gz SEZJFSFDGZNOLP-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CN(C)[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208099931 968998581 /nfs/dbraw/zinc/99/85/81/968998581.db2.gz BUOSSDDUJRTGIZ-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+](C)[C@H]1CCN(CC2(C)CC[NH+](C)CC2)C1 ZINC001208099931 968998592 /nfs/dbraw/zinc/99/85/92/968998592.db2.gz BUOSSDDUJRTGIZ-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+](CC1(C)CC[NH+](C)CC1)C1CN(C)C1 ZINC001208110325 969009530 /nfs/dbraw/zinc/00/95/30/969009530.db2.gz ANWURYKRZHZNBR-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001208592050 969146504 /nfs/dbraw/zinc/14/65/04/969146504.db2.gz BWTQBRVPEAIREY-ZDUSSCGKSA-N 2 1 244.354 1.125 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCN(C)C2)CC1 ZINC001208597621 969146848 /nfs/dbraw/zinc/14/68/48/969146848.db2.gz JRVZKTLAQCQBPW-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP COC1(C)CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208604571 969155592 /nfs/dbraw/zinc/15/55/92/969155592.db2.gz QMYGMFZRGASZGD-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]2COC)CC1 ZINC001208604398 969158800 /nfs/dbraw/zinc/15/88/00/969158800.db2.gz OBPGXWIHDIKQHE-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606888 969165054 /nfs/dbraw/zinc/16/50/54/969165054.db2.gz ISJKHNQUTYOZEV-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208606888 969165060 /nfs/dbraw/zinc/16/50/60/969165060.db2.gz ISJKHNQUTYOZEV-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208606888 969165071 /nfs/dbraw/zinc/16/50/71/969165071.db2.gz ISJKHNQUTYOZEV-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CCCN(CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169095377 969384164 /nfs/dbraw/zinc/38/41/64/969384164.db2.gz QMTFAEPPTPOPRT-BTTYYORXSA-N 3 1 239.407 1.672 20 0 BDADMP COCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209211468 969399962 /nfs/dbraw/zinc/39/99/62/969399962.db2.gz RBZGQIJGXBGFGO-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP CCN(CCC[NH+]1CCCCC1)C1C[NH+](C)C1 ZINC001209452743 969517336 /nfs/dbraw/zinc/51/73/36/969517336.db2.gz UBNBKTFVPHUXKX-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](OC)C2)CC1 ZINC001169244136 969528425 /nfs/dbraw/zinc/52/84/25/969528425.db2.gz COHQVQFNUXSJKR-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H](OC)C2)CC1 ZINC001169244136 969528426 /nfs/dbraw/zinc/52/84/26/969528426.db2.gz COHQVQFNUXSJKR-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001169245638 969536485 /nfs/dbraw/zinc/53/64/85/969536485.db2.gz GZPIRSAACBLKDP-CHWSQXEVSA-N 2 1 244.354 1.266 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001169245638 969536491 /nfs/dbraw/zinc/53/64/91/969536491.db2.gz GZPIRSAACBLKDP-CHWSQXEVSA-N 2 1 244.354 1.266 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2(C)CCOCC2)CC1 ZINC001254497492 969662053 /nfs/dbraw/zinc/66/20/53/969662053.db2.gz KGUAZRTWDLDEFP-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCc2nncs2)CC1 ZINC001254511084 969682364 /nfs/dbraw/zinc/68/23/64/969682364.db2.gz UYBBHMPIIMSWHY-JTQLQIEISA-N 2 1 240.376 1.155 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254525067 969722648 /nfs/dbraw/zinc/72/26/48/969722648.db2.gz FPMQDISIXZISPW-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254525067 969722657 /nfs/dbraw/zinc/72/26/57/969722657.db2.gz FPMQDISIXZISPW-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525067 969722666 /nfs/dbraw/zinc/72/26/66/969722666.db2.gz FPMQDISIXZISPW-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP CN1CCC[C@@H]2C[N@H+](C3CCSCC3)C[C@@H]21 ZINC001255094772 969931331 /nfs/dbraw/zinc/93/13/31/969931331.db2.gz KHHZPYNSOPVNQW-YPMHNXCESA-N 2 1 240.416 1.908 20 0 BDADMP C[N@@H+](CCO)CCC[NH2+]C1CCC(C)(C)CC1 ZINC001255301972 970065906 /nfs/dbraw/zinc/06/59/06/970065906.db2.gz IIQFPINFXWNXGD-UHFFFAOYSA-N 2 1 242.407 1.859 20 0 BDADMP CCCN(CCC[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC001255468547 970195476 /nfs/dbraw/zinc/19/54/76/970195476.db2.gz VDXZHDNYSNCTAW-GFCCVEGCSA-N 2 1 213.369 1.141 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC001255943260 970577425 /nfs/dbraw/zinc/57/74/25/970577425.db2.gz LCCAJLGMOOFVMO-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCOC[C@H]1F ZINC001255947969 970582196 /nfs/dbraw/zinc/58/21/96/970582196.db2.gz ZSCUWKXKTCBIPK-XQQFMLRXSA-N 2 1 246.370 1.823 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CC[N@@H+](CC)C1 ZINC001255952638 970590307 /nfs/dbraw/zinc/59/03/07/970590307.db2.gz GDVIXGVZKPBCLI-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@H](C)CC[NH+](CC)CC)C1 ZINC001255952638 970590310 /nfs/dbraw/zinc/59/03/10/970590310.db2.gz GDVIXGVZKPBCLI-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@@H](O)C1 ZINC001255958145 970597397 /nfs/dbraw/zinc/59/73/97/970597397.db2.gz YSSYQWFNOYQQHY-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1CO ZINC001255958063 970597945 /nfs/dbraw/zinc/59/79/45/970597945.db2.gz YECSTJSNPVKOGO-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CC1COC1 ZINC001255965145 970601350 /nfs/dbraw/zinc/60/13/50/970601350.db2.gz YIRXATBGMHEWCE-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])C1CCN(C2CC2)CC1 ZINC001256067420 970633289 /nfs/dbraw/zinc/63/32/89/970633289.db2.gz ODTRGFNXOAUKGJ-UHFFFAOYSA-N 2 1 239.407 1.672 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@]23CCCOC3)CC1 ZINC001256201870 970698634 /nfs/dbraw/zinc/69/86/34/970698634.db2.gz RKYPEBKTYPEQTM-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP CN(c1ccc2[nH]c[nH+]c2c1)C(C)(C)C[NH3+] ZINC000258933636 975218568 /nfs/dbraw/zinc/21/85/68/975218568.db2.gz VPFYRFBOADZSHJ-UHFFFAOYSA-N 2 1 218.304 1.736 20 0 BDADMP CCSC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173312379 975223542 /nfs/dbraw/zinc/22/35/42/975223542.db2.gz TWBWFYXDFRALEH-UTUOFQBUSA-N 2 1 228.405 1.621 20 0 BDADMP CCSC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173312379 975223546 /nfs/dbraw/zinc/22/35/46/975223546.db2.gz TWBWFYXDFRALEH-UTUOFQBUSA-N 2 1 228.405 1.621 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2ccc(C[NH3+])nc2)C1 ZINC001173356914 975313927 /nfs/dbraw/zinc/31/39/27/975313927.db2.gz HJTXREHQFZARIX-GFCCVEGCSA-N 2 1 220.320 1.046 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@H]([N@@H+](C)C3CC3)C2)C1 ZINC001173366506 975337374 /nfs/dbraw/zinc/33/73/74/975337374.db2.gz ACFOSALAVRMZKB-KBPBESRZSA-N 2 1 237.391 1.249 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@H]([NH+](C)C3CC3)C2)C1 ZINC001173366506 975337356 /nfs/dbraw/zinc/33/73/56/975337356.db2.gz ACFOSALAVRMZKB-KBPBESRZSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@H]([N@H+](C)C3CC3)C2)C1 ZINC001173366506 975337361 /nfs/dbraw/zinc/33/73/61/975337361.db2.gz ACFOSALAVRMZKB-KBPBESRZSA-N 2 1 237.391 1.249 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001173362978 975341327 /nfs/dbraw/zinc/34/13/27/975341327.db2.gz KMLCUASEAVKWSI-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP COC1(C[N@@H+](C)CC2CN(C)C2)CCC1 ZINC001332999850 975353044 /nfs/dbraw/zinc/35/30/44/975353044.db2.gz IHFCIZDFCDKRTO-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCCCN2)CC1 ZINC001334708824 976592406 /nfs/dbraw/zinc/59/24/06/976592406.db2.gz WRKRUARHNNFYLE-RUXDESIVSA-N 2 1 239.407 1.626 20 0 BDADMP CCC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277851995 978825907 /nfs/dbraw/zinc/82/59/07/978825907.db2.gz OBUJKMZAFGSKSH-TXEJJXNPSA-N 2 1 224.348 1.239 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)Nc1ccnc(N)n1 ZINC001339718725 978898277 /nfs/dbraw/zinc/89/82/77/978898277.db2.gz CIZQMIARHJYUDM-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)Nc1cc[nH+]c(N)n1 ZINC001339718725 978898279 /nfs/dbraw/zinc/89/82/79/978898279.db2.gz CIZQMIARHJYUDM-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]c(N)n1 ZINC001339718725 978898281 /nfs/dbraw/zinc/89/82/81/978898281.db2.gz CIZQMIARHJYUDM-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235126633 978982708 /nfs/dbraw/zinc/98/27/08/978982708.db2.gz VPNHMDZUCUFZIH-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC001235695451 979124872 /nfs/dbraw/zinc/12/48/72/979124872.db2.gz UEZXIHLIXDSEBE-ZDUSSCGKSA-N 2 1 219.332 1.957 20 0 BDADMP C[C@H](CC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206454369 979121400 /nfs/dbraw/zinc/12/14/00/979121400.db2.gz DKNSNPCGUNRRFR-FRRDWIJNSA-N 2 1 242.407 1.700 20 0 BDADMP C[C@@H]1CC[C@@H](N)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235891224 979184007 /nfs/dbraw/zinc/18/40/07/979184007.db2.gz DJUYLAJKQIFKCX-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP OCCCC[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634531 979685601 /nfs/dbraw/zinc/68/56/01/979685601.db2.gz VLAHJOHDCQXMQB-UHFFFAOYSA-N 2 1 226.364 1.365 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205257428 979760774 /nfs/dbraw/zinc/76/07/74/979760774.db2.gz VMRKGEUVDZLJHN-QWHCGFSZSA-N 2 1 224.348 1.882 20 0 BDADMP CC1(C[N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)CCCCC1 ZINC001237177054 979828237 /nfs/dbraw/zinc/82/82/37/979828237.db2.gz WIWGVAJRBCPTAD-GFCCVEGCSA-N 2 1 238.375 1.616 20 0 BDADMP CC1(C[N@H+]2C[C@@H]([NH3+])C3(COC3)C2)CCCCC1 ZINC001237177054 979828243 /nfs/dbraw/zinc/82/82/43/979828243.db2.gz WIWGVAJRBCPTAD-GFCCVEGCSA-N 2 1 238.375 1.616 20 0 BDADMP CC1(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237384319 979881539 /nfs/dbraw/zinc/88/15/39/979881539.db2.gz VRNGSRHYNJOGMC-VXGBXAGGSA-N 2 1 224.348 1.097 20 0 BDADMP CCN(C)[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001184440728 980070511 /nfs/dbraw/zinc/07/05/11/980070511.db2.gz UPMRBICWBGMSFM-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+](C)[C@@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC001184440728 980070516 /nfs/dbraw/zinc/07/05/16/980070516.db2.gz UPMRBICWBGMSFM-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC001184440728 980070535 /nfs/dbraw/zinc/07/05/35/980070535.db2.gz UPMRBICWBGMSFM-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP c1cc(C2=CCC[NH2+]C2)c2c([nH+]1)NCC2 ZINC001240671735 981581812 /nfs/dbraw/zinc/58/18/12/981581812.db2.gz WSUMFHLSUAEWGJ-UHFFFAOYSA-N 2 1 201.273 1.426 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCCC2OCCO2)C1 ZINC001205804300 982563241 /nfs/dbraw/zinc/56/32/41/982563241.db2.gz MPGKFGLFUWVZCC-NEPJUHHUSA-N 2 1 242.363 1.199 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCCC2OCCO2)C1 ZINC001205804300 982563249 /nfs/dbraw/zinc/56/32/49/982563249.db2.gz MPGKFGLFUWVZCC-NEPJUHHUSA-N 2 1 242.363 1.199 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CCC2CC[NH2+]CC2)C1 ZINC001205807119 982574457 /nfs/dbraw/zinc/57/44/57/982574457.db2.gz YAVAFCARIQLJSA-TZMCWYRMSA-N 2 1 239.407 1.435 20 0 BDADMP C[N@H+]1CCC=C(c2cccc(CC[NH3+])c2)C1 ZINC001241570535 982823512 /nfs/dbraw/zinc/82/35/12/982823512.db2.gz JTBHZPMERAXVIK-UHFFFAOYSA-N 2 1 216.328 1.907 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001202528728 983869597 /nfs/dbraw/zinc/86/95/97/983869597.db2.gz FDFIXGLBZWVXCR-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H](CCCO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575952539 984135447 /nfs/dbraw/zinc/13/54/47/984135447.db2.gz FKOLFVPXTKTCAW-HTQZYQBOSA-N 2 1 228.258 1.017 20 0 BDADMP CCOCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172422315 974696669 /nfs/dbraw/zinc/69/66/69/974696669.db2.gz ZDSZDSCNJKUCLO-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H](CC(C)C)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172394944 974746118 /nfs/dbraw/zinc/74/61/18/974746118.db2.gz HIZVKISCVSZKDR-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172442083 974800992 /nfs/dbraw/zinc/80/09/92/974800992.db2.gz RHIJNENBSCWHAU-RYUDHWBXSA-N 2 1 216.369 1.717 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550976 972725940 /nfs/dbraw/zinc/72/59/40/972725940.db2.gz ZOHNJRWPGCCYDB-OLZOCXBDSA-N 3 1 225.380 1.284 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550976 972725948 /nfs/dbraw/zinc/72/59/48/972725948.db2.gz ZOHNJRWPGCCYDB-OLZOCXBDSA-N 3 1 225.380 1.284 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC001327839930 972754844 /nfs/dbraw/zinc/75/48/44/972754844.db2.gz ORWLWUBCOUZRLI-RDBSUJKOSA-N 3 1 241.423 1.885 20 0 BDADMP CCSC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246566854 972817622 /nfs/dbraw/zinc/81/76/22/972817622.db2.gz GKCKNEMVIPUQPY-HBNTYKKESA-N 2 1 234.384 1.889 20 0 BDADMP CCSC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246566854 972817631 /nfs/dbraw/zinc/81/76/31/972817631.db2.gz GKCKNEMVIPUQPY-HBNTYKKESA-N 2 1 234.384 1.889 20 0 BDADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246587238 972982927 /nfs/dbraw/zinc/98/29/27/972982927.db2.gz WITBRLAOQYTDDT-IHRRRGAJSA-N 2 1 242.407 1.843 20 0 BDADMP COC[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246601471 973016864 /nfs/dbraw/zinc/01/68/64/973016864.db2.gz VQHXLLIHXDEWBB-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C[NH2+]1 ZINC001246770000 973090637 /nfs/dbraw/zinc/09/06/37/973090637.db2.gz MCQSAYOBCKQKOL-WTPMCQDGSA-N 2 1 212.312 1.559 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246863742 973187303 /nfs/dbraw/zinc/18/73/03/973187303.db2.gz LXSGXFWWTQZCIM-BFHYXJOUSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC001246863742 973187321 /nfs/dbraw/zinc/18/73/21/973187321.db2.gz LXSGXFWWTQZCIM-BFHYXJOUSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OC)c(O)c1 ZINC001328677359 973255881 /nfs/dbraw/zinc/25/58/81/973255881.db2.gz LIHAJBVZCVXKKM-JTQLQIEISA-N 2 1 238.331 1.488 20 0 BDADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCOC1 ZINC000402708847 970839484 /nfs/dbraw/zinc/83/94/84/970839484.db2.gz RMBZBVLJEMFYJU-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615439 970878371 /nfs/dbraw/zinc/87/83/71/970878371.db2.gz HAVQRWIRMGXXNH-ODWCKFRGSA-N 2 1 226.364 1.362 20 0 BDADMP COC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC001256617576 970884292 /nfs/dbraw/zinc/88/42/92/970884292.db2.gz SHPTYTPGNVBSJB-YOGCLGLASA-N 2 1 242.363 1.210 20 0 BDADMP COC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC001256617576 970884296 /nfs/dbraw/zinc/88/42/96/970884296.db2.gz SHPTYTPGNVBSJB-YOGCLGLASA-N 2 1 242.363 1.210 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001256624334 970891106 /nfs/dbraw/zinc/89/11/06/970891106.db2.gz WZGBSMVVZCKLGF-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@@H]1O ZINC001256624334 970891110 /nfs/dbraw/zinc/89/11/10/970891110.db2.gz WZGBSMVVZCKLGF-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@@H]1O ZINC001256624334 970891117 /nfs/dbraw/zinc/89/11/17/970891117.db2.gz WZGBSMVVZCKLGF-MWWBDVBNSA-N 2 1 238.375 1.314 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CC2)CCC1(F)F ZINC000403206869 970892898 /nfs/dbraw/zinc/89/28/98/970892898.db2.gz DAOIFRFQZKFEHE-VIFPVBQESA-N 2 1 204.264 1.312 20 0 BDADMP FC(F)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677101 970917439 /nfs/dbraw/zinc/91/74/39/970917439.db2.gz VTFNKJZQQIVDQW-UHFFFAOYSA-N 2 1 248.317 1.485 20 0 BDADMP C[C@H]1CC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256692295 970925371 /nfs/dbraw/zinc/92/53/71/970925371.db2.gz XJBRQFFNNVCZDO-HSBZDZAISA-N 2 1 238.375 1.724 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256786733 970986217 /nfs/dbraw/zinc/98/62/17/970986217.db2.gz LQUWMRVSWGOKJO-ILXRZTDVSA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256786733 970986228 /nfs/dbraw/zinc/98/62/28/970986228.db2.gz LQUWMRVSWGOKJO-ILXRZTDVSA-N 2 1 246.354 1.940 20 0 BDADMP C[C@@H](O)CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907732 971020073 /nfs/dbraw/zinc/02/00/73/971020073.db2.gz HOHZDSBXEDTZGO-OLZOCXBDSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H](O)CC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907732 971020077 /nfs/dbraw/zinc/02/00/77/971020077.db2.gz HOHZDSBXEDTZGO-OLZOCXBDSA-N 2 1 240.391 1.754 20 0 BDADMP COC(=O)CC1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001256973996 971056395 /nfs/dbraw/zinc/05/63/95/971056395.db2.gz GBRIGHRCCGGCGN-CXQJBGSLSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)CC1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001256973996 971056404 /nfs/dbraw/zinc/05/64/04/971056404.db2.gz GBRIGHRCCGGCGN-CXQJBGSLSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])C[C@H](C)O1 ZINC001257073456 971086494 /nfs/dbraw/zinc/08/64/94/971086494.db2.gz NZNSJFZCDPOKJB-ILWJIGKKSA-N 2 1 200.326 1.269 20 0 BDADMP CCC[C@H](CC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001257246506 971140143 /nfs/dbraw/zinc/14/01/43/971140143.db2.gz ASASMCVFOWWTPL-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCC(CC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001257290891 971175913 /nfs/dbraw/zinc/17/59/13/971175913.db2.gz MCAFLOPNMSPOKD-ZDUSSCGKSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@H+]1CCCN(c2cc(N)c(C)c[nH+]2)CC1 ZINC000307769859 971176314 /nfs/dbraw/zinc/17/63/14/971176314.db2.gz GSIOZYMTSDJHBQ-UHFFFAOYSA-N 2 1 234.347 1.504 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000404799530 971181311 /nfs/dbraw/zinc/18/13/11/971181311.db2.gz XZGIKMFOBHVGTN-HZSPNIEDSA-N 2 1 240.391 1.731 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@H]1CCC[N@H+](C)CC1 ZINC001224817986 973998138 /nfs/dbraw/zinc/99/81/38/973998138.db2.gz FRTDLNKHUCVUOY-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@H]1CCC[N@@H+](C)CC1 ZINC001224817986 973998155 /nfs/dbraw/zinc/99/81/55/973998155.db2.gz FRTDLNKHUCVUOY-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)sn1 ZINC000405384515 971248754 /nfs/dbraw/zinc/24/87/54/971248754.db2.gz KKCXWPQMOGEBDN-DTWKUNHWSA-N 2 1 241.360 1.367 20 0 BDADMP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)sn1 ZINC000405384520 971249652 /nfs/dbraw/zinc/24/96/52/971249652.db2.gz KKCXWPQMOGEBDN-RKDXNWHRSA-N 2 1 241.360 1.367 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000405534849 971271728 /nfs/dbraw/zinc/27/17/28/971271728.db2.gz AVJHEEIVDWFBNR-XQHKEYJVSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000405693548 971291699 /nfs/dbraw/zinc/29/16/99/971291699.db2.gz WZSOTOSJLIHNBO-BJJPWKGXSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000405693548 971291705 /nfs/dbraw/zinc/29/17/05/971291705.db2.gz WZSOTOSJLIHNBO-BJJPWKGXSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CO[C@H]1C ZINC000405681065 971292321 /nfs/dbraw/zinc/29/23/21/971292321.db2.gz URRPZVQZJSREOO-SJHCENCUSA-N 2 1 226.364 1.482 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CO[C@H]1C ZINC000405681065 971292327 /nfs/dbraw/zinc/29/23/27/971292327.db2.gz URRPZVQZJSREOO-SJHCENCUSA-N 2 1 226.364 1.482 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)C1 ZINC000405694482 971293581 /nfs/dbraw/zinc/29/35/81/971293581.db2.gz XPCINSWCSVVHGF-FDYHWXHSSA-N 2 1 226.364 1.341 20 0 BDADMP CCCCOC(=O)CC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001257391719 971296374 /nfs/dbraw/zinc/29/63/74/971296374.db2.gz QEYIFJMTHXJIFS-LLVKDONJSA-N 2 1 242.363 1.579 20 0 BDADMP CC(C)Cc1nnc([C@@H]([NH3+])CCC[NH3+])o1 ZINC001217695389 971328449 /nfs/dbraw/zinc/32/84/49/971328449.db2.gz IWUVXLGRDGJYOG-QMMMGPOBSA-N 2 1 212.297 1.007 20 0 BDADMP [NH3+]CCCC[C@@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC001217722377 971361705 /nfs/dbraw/zinc/36/17/05/971361705.db2.gz QSKDMKGAHVKISI-LLVKDONJSA-N 2 1 246.314 1.865 20 0 BDADMP FC1(F)C[NH2+]C[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217845104 971443211 /nfs/dbraw/zinc/44/32/11/971443211.db2.gz UBUVQZAOVWRDEO-NSHDSACASA-N 2 1 248.317 1.390 20 0 BDADMP C[N@H+]1CCCC[C@H]1CO[C@H]1CCC[NH2+]C1 ZINC001217859181 971452863 /nfs/dbraw/zinc/45/28/63/971452863.db2.gz FAEKVJQPGMFLMT-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC001258011729 971554860 /nfs/dbraw/zinc/55/48/60/971554860.db2.gz PFOHOGWANPJKKE-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156717 974331692 /nfs/dbraw/zinc/33/16/92/974331692.db2.gz SIBRLEPQOQWHRV-MNOVXSKESA-N 2 1 244.354 1.753 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156717 974331700 /nfs/dbraw/zinc/33/17/00/974331700.db2.gz SIBRLEPQOQWHRV-MNOVXSKESA-N 2 1 244.354 1.753 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156717 974331710 /nfs/dbraw/zinc/33/17/10/974331710.db2.gz SIBRLEPQOQWHRV-MNOVXSKESA-N 2 1 244.354 1.753 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOC1)C2 ZINC001172100953 974343898 /nfs/dbraw/zinc/34/38/98/974343898.db2.gz VBTQXVWHYLTFEP-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCCOCC3)C[C@@H]21 ZINC001170832577 971942092 /nfs/dbraw/zinc/94/20/92/971942092.db2.gz BFVQGSRYXSMNRK-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860517 971982678 /nfs/dbraw/zinc/98/26/78/971982678.db2.gz CVYHYCBZLSPWOA-VXGBXAGGSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@@H]([NH3+])CCNc1cc[nH+]c(N2CCCC2)n1 ZINC001170888826 972043088 /nfs/dbraw/zinc/04/30/88/972043088.db2.gz DPSARQFOVYRCTK-SNVBAGLBSA-N 2 1 235.335 1.226 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246029020 972122668 /nfs/dbraw/zinc/12/26/68/972122668.db2.gz KUZZREQFALRXMS-RWMBFGLXSA-N 2 1 246.370 1.689 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246079442 972134552 /nfs/dbraw/zinc/13/45/52/972134552.db2.gz FBKPHBFJRQBLID-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246079442 972134557 /nfs/dbraw/zinc/13/45/57/972134557.db2.gz FBKPHBFJRQBLID-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC001246081529 972136706 /nfs/dbraw/zinc/13/67/06/972136706.db2.gz NEVAHOMQTCRZOQ-AYLPWXGPSA-N 2 1 236.315 1.186 20 0 BDADMP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCCCNC1 ZINC001246104007 972165744 /nfs/dbraw/zinc/16/57/44/972165744.db2.gz IEMORZQSNUJCBD-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246111398 972175574 /nfs/dbraw/zinc/17/55/74/972175574.db2.gz JCLDKFLCKCCMSA-CYBMUJFWSA-N 3 1 239.407 1.640 20 0 BDADMP COC(=O)CCCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246199841 972216444 /nfs/dbraw/zinc/21/64/44/972216444.db2.gz LKUOWBQVGLUPBA-VXGBXAGGSA-N 2 1 242.363 1.450 20 0 BDADMP CCN(CC[NH+](C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208603342 957086449 /nfs/dbraw/zinc/08/64/49/957086449.db2.gz BROIRMCBNQGKNR-ZDUSSCGKSA-N 2 1 227.396 1.212 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@](C)(O)C2)C1 ZINC001208606015 957091419 /nfs/dbraw/zinc/09/14/19/957091419.db2.gz DBPBNBUIAOEGTK-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@](C)(O)C2)C1 ZINC001208606015 957091425 /nfs/dbraw/zinc/09/14/25/957091425.db2.gz DBPBNBUIAOEGTK-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@](C)(O)C2)C1 ZINC001208606015 957091435 /nfs/dbraw/zinc/09/14/35/957091435.db2.gz DBPBNBUIAOEGTK-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCCOC3)C1 ZINC001208608415 957093429 /nfs/dbraw/zinc/09/34/29/957093429.db2.gz SJKCPOXKNDUBOR-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCCOC3)C1 ZINC001208608415 957093442 /nfs/dbraw/zinc/09/34/42/957093442.db2.gz SJKCPOXKNDUBOR-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP CCC1(N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC001246238911 972245208 /nfs/dbraw/zinc/24/52/08/972245208.db2.gz WYOWPOVWYAZJJJ-CHWSQXEVSA-N 2 1 237.391 1.250 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2cccnc2)C[NH2+]1 ZINC001246240155 972246776 /nfs/dbraw/zinc/24/67/76/972246776.db2.gz PNPOWXLHMOXDMU-TZMCWYRMSA-N 2 1 233.359 1.744 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[NH2+]C1)C2 ZINC001246267457 972251576 /nfs/dbraw/zinc/25/15/76/972251576.db2.gz YRFSQOOUWGNXCT-YIYPIFLZSA-N 2 1 237.391 1.343 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000075151065 957311834 /nfs/dbraw/zinc/31/18/34/957311834.db2.gz VXQRKWJZZGZNLG-NSHDSACASA-N 2 1 222.336 1.197 20 0 BDADMP Cc1cc(C)[nH+]c(N2CCc3[nH+]ccn3CC2)c1 ZINC001167178325 957524775 /nfs/dbraw/zinc/52/47/75/957524775.db2.gz UCHXDCZYEAIIBV-UHFFFAOYSA-N 2 1 242.326 1.958 20 0 BDADMP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(F)n1)CC2 ZINC001140134705 957611084 /nfs/dbraw/zinc/61/10/84/957611084.db2.gz VKDZIDYDCSOSCD-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP CCC(=O)Nc1cc(N[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001167284548 957645806 /nfs/dbraw/zinc/64/58/06/957645806.db2.gz DQKVYKPTQCDPKR-NSHDSACASA-N 2 1 248.330 1.546 20 0 BDADMP CCC(=O)Nc1cc(N[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001167284548 957645809 /nfs/dbraw/zinc/64/58/09/957645809.db2.gz DQKVYKPTQCDPKR-NSHDSACASA-N 2 1 248.330 1.546 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cncn2CCF)CC[NH2+]1 ZINC001246444737 972318375 /nfs/dbraw/zinc/31/83/75/972318375.db2.gz BFYKZXOCLGQJEH-WDEREUQCSA-N 2 1 240.326 1.083 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C[C@@H]1C ZINC001246455074 972323648 /nfs/dbraw/zinc/32/36/48/972323648.db2.gz WREYYBAKFBUKSE-RDBSUJKOSA-N 3 1 241.423 1.729 20 0 BDADMP C[NH+](C)[C@H]1CCCC[C@H]1Nc1cc[nH+]c(N)n1 ZINC001347989496 958237547 /nfs/dbraw/zinc/23/75/47/958237547.db2.gz DGUSEYRFMJQVMK-ZJUUUORDSA-N 2 1 235.335 1.344 20 0 BDADMP CCSC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC000706965233 958313826 /nfs/dbraw/zinc/31/38/26/958313826.db2.gz WAUPCRCCAXJSSK-NXEZZACHSA-N 2 1 204.383 1.655 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000693398951 958362403 /nfs/dbraw/zinc/36/24/03/958362403.db2.gz QXDMHZUSDLMQCO-WISYIIOYSA-N 2 1 244.329 1.819 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]23CCCOC3)C[NH2+]1 ZINC001246470213 972346645 /nfs/dbraw/zinc/34/66/45/972346645.db2.gz PSEWSMIMDCPEGZ-YVECIDJPSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCCCCO)C[NH2+]1 ZINC000399038307 958489343 /nfs/dbraw/zinc/48/93/43/958489343.db2.gz PZKOWLSIMPCCAP-NEPJUHHUSA-N 2 1 214.353 1.269 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CCOCC3)C[NH2+]1 ZINC000399028363 958490665 /nfs/dbraw/zinc/49/06/65/958490665.db2.gz KSMUDXBNLLGKMN-UTUOFQBUSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC000707613290 958626594 /nfs/dbraw/zinc/62/65/94/958626594.db2.gz SEYXTVPMJVDDCI-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000693548089 958763649 /nfs/dbraw/zinc/76/36/49/958763649.db2.gz ZPOQTQIHKWKFBK-BBBLOLIVSA-N 2 1 236.281 1.998 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207276106 958845060 /nfs/dbraw/zinc/84/50/60/958845060.db2.gz UKXJCMZFDRVJMC-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CC[C@]1(C)O ZINC001207276452 958849759 /nfs/dbraw/zinc/84/97/59/958849759.db2.gz WWSPKQUPOVIIOX-JSGCOSHPSA-N 2 1 242.407 1.667 20 0 BDADMP Nc1[nH]c2cc(-n3cccc3C[NH3+])ccc2[nH+]1 ZINC001167593606 958994398 /nfs/dbraw/zinc/99/43/98/958994398.db2.gz VPTVXQQUYOKTNK-UHFFFAOYSA-N 2 1 227.271 1.395 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CCOC3)C2)C[NH2+]1 ZINC000708244687 959263314 /nfs/dbraw/zinc/26/33/14/959263314.db2.gz VBPQPXBOERSBMS-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CCOC3)C2)C[NH2+]1 ZINC000708244687 959263327 /nfs/dbraw/zinc/26/33/27/959263327.db2.gz VBPQPXBOERSBMS-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP OCCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222231129 972415224 /nfs/dbraw/zinc/41/52/24/972415224.db2.gz JOLNQSNCFPICHI-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP C1=CO[C@@H](C[N@@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001222232010 972417012 /nfs/dbraw/zinc/41/70/12/972417012.db2.gz SBTXAWYYICQTPH-KGLIPLIRSA-N 2 1 236.359 1.897 20 0 BDADMP C1=CO[C@@H](C[N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001222232010 972417019 /nfs/dbraw/zinc/41/70/19/972417019.db2.gz SBTXAWYYICQTPH-KGLIPLIRSA-N 2 1 236.359 1.897 20 0 BDADMP COCOCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237714 972419309 /nfs/dbraw/zinc/41/93/09/972419309.db2.gz QTXQZGYWTPSKKZ-CYBMUJFWSA-N 2 1 242.363 1.215 20 0 BDADMP COCOCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237714 972419319 /nfs/dbraw/zinc/41/93/19/972419319.db2.gz QTXQZGYWTPSKKZ-CYBMUJFWSA-N 2 1 242.363 1.215 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCCCC2)C12CCC2 ZINC000405218059 959417524 /nfs/dbraw/zinc/41/75/24/959417524.db2.gz LFDMRAOXUGKMNK-STQMWFEESA-N 2 1 237.391 1.332 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309177 972437626 /nfs/dbraw/zinc/43/76/26/972437626.db2.gz MSWJNEPKUMLLJV-STQMWFEESA-N 3 1 225.380 1.332 20 0 BDADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309177 972437627 /nfs/dbraw/zinc/43/76/27/972437627.db2.gz MSWJNEPKUMLLJV-STQMWFEESA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346804 972440690 /nfs/dbraw/zinc/44/06/90/972440690.db2.gz SZETYPHNJAUDRX-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346804 972440694 /nfs/dbraw/zinc/44/06/94/972440694.db2.gz SZETYPHNJAUDRX-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP CC1CC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000300014357 959675242 /nfs/dbraw/zinc/67/52/42/959675242.db2.gz CYERPWFCIOSKDD-IFWUJCSASA-N 2 1 224.348 1.238 20 0 BDADMP CC1CC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000300014357 959675252 /nfs/dbraw/zinc/67/52/52/959675252.db2.gz CYERPWFCIOSKDD-IFWUJCSASA-N 2 1 224.348 1.238 20 0 BDADMP CCOC1CCC([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000708829301 959859978 /nfs/dbraw/zinc/85/99/78/959859978.db2.gz BPBITFYATNYISS-MRFVTOPCSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000694851565 960015201 /nfs/dbraw/zinc/01/52/01/960015201.db2.gz KOBDBRHKSAIDMH-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[N@H+](Cc2cc(O)cc(F)c2)C[C@H]1C[NH3+] ZINC000708887039 960079013 /nfs/dbraw/zinc/07/90/13/960079013.db2.gz CJGXRWHRWGMMHZ-GXSJLCMTSA-N 2 1 238.306 1.558 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc(O)cc(F)c2)C[C@H]1C[NH3+] ZINC000708887039 960079018 /nfs/dbraw/zinc/07/90/18/960079018.db2.gz CJGXRWHRWGMMHZ-GXSJLCMTSA-N 2 1 238.306 1.558 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000695184596 960148547 /nfs/dbraw/zinc/14/85/47/960148547.db2.gz JWVTUVFOLJHILO-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1(Cl)CC1 ZINC000695683473 960352117 /nfs/dbraw/zinc/35/21/17/960352117.db2.gz BAZXFAOIQKSMPT-SECBINFHSA-N 2 1 216.756 1.830 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1O ZINC001140802516 960589265 /nfs/dbraw/zinc/58/92/65/960589265.db2.gz XNQOQCZCPIGTLU-YGRLFVJLSA-N 2 1 245.326 1.766 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1O ZINC001140802516 960589276 /nfs/dbraw/zinc/58/92/76/960589276.db2.gz XNQOQCZCPIGTLU-YGRLFVJLSA-N 2 1 245.326 1.766 20 0 BDADMP CC(C)CCC[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491928 972519176 /nfs/dbraw/zinc/51/91/76/972519176.db2.gz KLEATZPBGJFPRW-KBPBESRZSA-N 2 1 239.407 1.448 20 0 BDADMP OC[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801488 960591533 /nfs/dbraw/zinc/59/15/33/960591533.db2.gz PMMSIQHRSXKXGS-NSHDSACASA-N 2 1 231.299 1.520 20 0 BDADMP OC[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801488 960591544 /nfs/dbraw/zinc/59/15/44/960591544.db2.gz PMMSIQHRSXKXGS-NSHDSACASA-N 2 1 231.299 1.520 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488512 960620207 /nfs/dbraw/zinc/62/02/07/960620207.db2.gz BHCTVOQGKBFTNM-UVYIHGJDSA-N 2 1 224.348 1.115 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(O)CC2)CC[NH2+]1 ZINC000709492795 960628566 /nfs/dbraw/zinc/62/85/66/960628566.db2.gz CPLOXASMGQDDCM-UPJWGTAASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC[NH2+]1 ZINC000925701058 960688766 /nfs/dbraw/zinc/68/87/66/960688766.db2.gz UZTRVTUIQFFXNL-XQHKEYJVSA-N 3 1 239.407 1.623 20 0 BDADMP c1n[nH]c2c1[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423487683 960881065 /nfs/dbraw/zinc/88/10/65/960881065.db2.gz UNXHTFODMZRDPS-YPMHNXCESA-N 2 1 248.374 1.909 20 0 BDADMP c1cc2c(cccc2C[N@@H+]2CCC[NH2+]CC2)[nH]1 ZINC001204654900 960990482 /nfs/dbraw/zinc/99/04/82/960990482.db2.gz CDKCQBNBGJNJNR-UHFFFAOYSA-N 2 1 229.327 1.963 20 0 BDADMP c1cc2c(cccc2C[N@H+]2CCC[NH2+]CC2)[nH]1 ZINC001204654900 960990543 /nfs/dbraw/zinc/99/05/43/960990543.db2.gz CDKCQBNBGJNJNR-UHFFFAOYSA-N 2 1 229.327 1.963 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccncc1 ZINC000709369761 961077913 /nfs/dbraw/zinc/07/79/13/961077913.db2.gz GKIMJVVWQJMLDI-GVXVVHGQSA-N 2 1 219.332 1.873 20 0 BDADMP C[N@H+]1CCCN(CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167902330 961657874 /nfs/dbraw/zinc/65/78/74/961657874.db2.gz FGFNVXJZDZEYQF-BTTYYORXSA-N 2 1 237.391 1.012 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCC[NH2+]1 ZINC000300422946 961892895 /nfs/dbraw/zinc/89/28/95/961892895.db2.gz MQLKFVLYDRJFJP-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP CC(C)[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000708951574 961899503 /nfs/dbraw/zinc/89/95/03/961899503.db2.gz IKOKEZOVTSUOAU-FRRDWIJNSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H]1C[N@H+]([C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000708951574 961899513 /nfs/dbraw/zinc/89/95/13/961899513.db2.gz IKOKEZOVTSUOAU-FRRDWIJNSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](CF)C2)C[NH2+]1 ZINC000711464799 962715127 /nfs/dbraw/zinc/71/51/27/962715127.db2.gz IYIFSCDOEXLBJN-WOPDTQHZSA-N 2 1 214.328 1.808 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](CF)C2)C[NH2+]1 ZINC000711464799 962715139 /nfs/dbraw/zinc/71/51/39/962715139.db2.gz IYIFSCDOEXLBJN-WOPDTQHZSA-N 2 1 214.328 1.808 20 0 BDADMP C[NH+]1CC(CNc2ccc3c([nH+]2)CCCC3)C1 ZINC000712393468 962880895 /nfs/dbraw/zinc/88/08/95/962880895.db2.gz CYWJPAZMQLRZSV-UHFFFAOYSA-N 2 1 231.343 1.934 20 0 BDADMP Cc1cc(C)[nH+]c(N2CCOC[C@@H]2C[NH+](C)C)c1 ZINC001154961999 962920925 /nfs/dbraw/zinc/92/09/25/962920925.db2.gz QCSNMCKZIAPCGQ-ZDUSSCGKSA-N 2 1 249.358 1.465 20 0 BDADMP CCc1nc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc(C)[nH+]1 ZINC001155039669 962949650 /nfs/dbraw/zinc/94/96/50/962949650.db2.gz VWOCJCCDMYTYRG-UWVGGRQHSA-N 2 1 238.310 1.459 20 0 BDADMP Cc1nc(NC[C@H]2C[NH2+][C@H](C)C2)c(C)c(C)[nH+]1 ZINC001155101965 962981334 /nfs/dbraw/zinc/98/13/34/962981334.db2.gz LONRXEBKJCXXKF-PRHODGIISA-N 2 1 234.347 1.812 20 0 BDADMP CC(C)[NH+]1CCC(CNc2cc[nH+]c(N)n2)CC1 ZINC001156501325 963372044 /nfs/dbraw/zinc/37/20/44/963372044.db2.gz KWPFNNDWCPEVEB-UHFFFAOYSA-N 2 1 249.362 1.591 20 0 BDADMP C[N@H+]1CC[C@H](Nc2cc3[nH]ccc3c[nH+]2)C1 ZINC001156576332 963393317 /nfs/dbraw/zinc/39/33/17/963393317.db2.gz VWYLVGIFOZYVKY-JTQLQIEISA-N 2 1 216.288 1.679 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCO[C@@H](C)C1 ZINC001168074095 963608652 /nfs/dbraw/zinc/60/86/52/963608652.db2.gz HCVJKZVKMHEISD-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@H]1OCC[N@H+](C[C@H]2CCCC[NH2+]C2)[C@H]1C ZINC000697017449 963639307 /nfs/dbraw/zinc/63/93/07/963639307.db2.gz SEWYBJORVAHFHS-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1OCC[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@H]1C ZINC000697017449 963639313 /nfs/dbraw/zinc/63/93/13/963639313.db2.gz SEWYBJORVAHFHS-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]C[C@]1(F)CCN(c2ccc3c([nH+]2)CCC3)C1 ZINC001157812971 963733639 /nfs/dbraw/zinc/73/36/39/963733639.db2.gz NEXUYXCELKISEG-CYBMUJFWSA-N 2 1 235.306 1.447 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC001168139377 963842852 /nfs/dbraw/zinc/84/28/52/963842852.db2.gz SDWMYLZXZGZXJN-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC001168139377 963842856 /nfs/dbraw/zinc/84/28/56/963842856.db2.gz SDWMYLZXZGZXJN-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC001168139377 963842864 /nfs/dbraw/zinc/84/28/64/963842864.db2.gz SDWMYLZXZGZXJN-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC001168139374 963843463 /nfs/dbraw/zinc/84/34/63/963843463.db2.gz SDWMYLZXZGZXJN-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC001168139374 963843466 /nfs/dbraw/zinc/84/34/66/963843466.db2.gz SDWMYLZXZGZXJN-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC001168139374 963843472 /nfs/dbraw/zinc/84/34/72/963843472.db2.gz SDWMYLZXZGZXJN-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@]1(C[NH3+])CCCN(c2ccc(N)c[nH+]2)C1 ZINC001158675542 963901490 /nfs/dbraw/zinc/90/14/90/963901490.db2.gz NYDVLOGGCODHHL-GFCCVEGCSA-N 2 1 220.320 1.229 20 0 BDADMP Cc1cnc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000689473016 963925681 /nfs/dbraw/zinc/92/56/81/963925681.db2.gz WWPANKXZQHXZIP-HIFRSBDPSA-N 2 1 247.386 1.971 20 0 BDADMP CNc1cc[nH+]c(NC2(C)CC[NH2+]CC2)n1 ZINC001168182639 963934904 /nfs/dbraw/zinc/93/49/04/963934904.db2.gz VVOWLJKJSLMUID-UHFFFAOYSA-N 2 1 221.308 1.072 20 0 BDADMP c1cc(N2CCC3(C[NH2+]C3)CC2)[nH+]c2c1CCC2 ZINC001159041842 963980162 /nfs/dbraw/zinc/98/01/62/963980162.db2.gz FUQAYQJHFJQEEQ-UHFFFAOYSA-N 2 1 243.354 1.760 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C)C[C@H](C)C[NH3+])C2 ZINC001168245324 964053123 /nfs/dbraw/zinc/05/31/23/964053123.db2.gz WRQWEKDRFNNRFM-RISCZKNCSA-N 2 1 248.370 1.689 20 0 BDADMP Cc1cc[nH+]c(N[C@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001159491052 964113199 /nfs/dbraw/zinc/11/31/99/964113199.db2.gz ZSNRMRJMCXPIHK-GHMZBOCLSA-N 2 1 221.304 1.179 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001168313412 964420585 /nfs/dbraw/zinc/42/05/85/964420585.db2.gz BUZDFCPUCLBNSM-JXQTWKCFSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315055 964426048 /nfs/dbraw/zinc/42/60/48/964426048.db2.gz QHVSDENOZYXEBG-RYSNWHEDSA-N 2 1 240.391 1.704 20 0 BDADMP C[NH+](C)C1CCC(N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001168328654 964459233 /nfs/dbraw/zinc/45/92/33/964459233.db2.gz AVIAYXDLZFVQGW-RUXDESIVSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CCN3CC[C@H]3C2)CC1 ZINC001168328654 964459246 /nfs/dbraw/zinc/45/92/46/964459246.db2.gz AVIAYXDLZFVQGW-RUXDESIVSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCN3CC[C@H]3C2)CC1 ZINC001168328654 964459248 /nfs/dbraw/zinc/45/92/48/964459248.db2.gz AVIAYXDLZFVQGW-RUXDESIVSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)[C@H]2CCCOC2)CC1 ZINC001168330201 964464347 /nfs/dbraw/zinc/46/43/47/964464347.db2.gz NEXMNAKVXURTKV-RUXDESIVSA-N 2 1 240.391 1.970 20 0 BDADMP CCCc1cc(NC/C=C/C[NH3+])nc(C)[nH+]1 ZINC001160983182 964469034 /nfs/dbraw/zinc/46/90/34/964469034.db2.gz RYDSJNSSXOCEBX-SNAWJCMRSA-N 2 1 220.320 1.664 20 0 BDADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000697909221 964675657 /nfs/dbraw/zinc/67/56/57/964675657.db2.gz OPBZYSCCGWPZIU-FRRDWIJNSA-N 2 1 227.396 1.399 20 0 BDADMP Cn1ccc2c[nH+]c(NCCCC[NH+](C)C)nc21 ZINC001161724468 964716394 /nfs/dbraw/zinc/71/63/94/964716394.db2.gz JTDYDTBSUZMOAS-UHFFFAOYSA-N 2 1 247.346 1.722 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1-n1cnc(C[NH3+])c1 ZINC001162302407 964917613 /nfs/dbraw/zinc/91/76/13/964917613.db2.gz QGIRUWWVQOEAGH-UHFFFAOYSA-N 2 1 231.303 1.100 20 0 BDADMP CO[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000167053847 964939891 /nfs/dbraw/zinc/93/98/91/964939891.db2.gz FTHPECVVFVDSKA-VXGBXAGGSA-N 2 1 214.353 1.341 20 0 BDADMP CC(=O)Nc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162390996 964952283 /nfs/dbraw/zinc/95/22/83/964952283.db2.gz KTDUBXQBNQFBPU-GHMZBOCLSA-N 2 1 248.330 1.722 20 0 BDADMP Nc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC001162402240 964958535 /nfs/dbraw/zinc/95/85/35/964958535.db2.gz PLPNOJYLDSSTDA-RKDXNWHRSA-N 2 1 206.293 1.346 20 0 BDADMP Nc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC001162402237 964958549 /nfs/dbraw/zinc/95/85/49/964958549.db2.gz PLPNOJYLDSSTDA-DTWKUNHWSA-N 2 1 206.293 1.346 20 0 BDADMP CNc1ccc(NC[C@H]2C[NH2+][C@H](C)C2)c[nH+]1 ZINC001162556788 965043489 /nfs/dbraw/zinc/04/34/89/965043489.db2.gz VNHWCASPIGIPGR-NXEZZACHSA-N 2 1 220.320 1.533 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001162688495 965122286 /nfs/dbraw/zinc/12/22/86/965122286.db2.gz PTPYMEPGOYGLFX-FZMZJTMJSA-N 2 1 249.358 1.449 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001162688495 965122293 /nfs/dbraw/zinc/12/22/93/965122293.db2.gz PTPYMEPGOYGLFX-FZMZJTMJSA-N 2 1 249.358 1.449 20 0 BDADMP Cc1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162789768 965173754 /nfs/dbraw/zinc/17/37/54/965173754.db2.gz LOIBCWQXKFWFKH-SDDRHHMPSA-N 2 1 215.300 1.576 20 0 BDADMP Cc1ccc(N[C@H]2COCCC23C[NH2+]C3)[nH+]c1 ZINC001163066986 965251823 /nfs/dbraw/zinc/25/18/23/965251823.db2.gz ZXAOTCLTWWRMJW-NSHDSACASA-N 2 1 233.315 1.180 20 0 BDADMP CC[N@@H+](CCn1cccn1)CC1CC[NH2+]CC1 ZINC000094024966 965389757 /nfs/dbraw/zinc/38/97/57/965389757.db2.gz CRBPCNLLUFHZMF-UHFFFAOYSA-N 2 1 236.363 1.205 20 0 BDADMP C[NH2+][C@H]1CC[N@H+](C[C@H](COC)C(C)C)C1 ZINC000721965872 965545724 /nfs/dbraw/zinc/54/57/24/965545724.db2.gz RBPQFGWVVPDVAR-NEPJUHHUSA-N 2 1 214.353 1.199 20 0 BDADMP C[NH2+][C@H]1CC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC000721965872 965545731 /nfs/dbraw/zinc/54/57/31/965545731.db2.gz RBPQFGWVVPDVAR-NEPJUHHUSA-N 2 1 214.353 1.199 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)CC[NH2+]1 ZINC000714979729 965576019 /nfs/dbraw/zinc/57/60/19/965576019.db2.gz WFHCEEYSMJXCPD-GXSJLCMTSA-N 2 1 221.304 1.017 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205093701 965719203 /nfs/dbraw/zinc/71/92/03/965719203.db2.gz FBTCYTGNAJYQEL-CQSZACIVSA-N 3 1 239.407 1.532 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2cnc3ccccn23)CC1 ZINC001205094491 965729960 /nfs/dbraw/zinc/72/99/60/965729960.db2.gz MVEPKMBEWYLAMX-LBPRGKRZSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnc3ccccn23)CC1 ZINC001205094491 965729968 /nfs/dbraw/zinc/72/99/68/965729968.db2.gz MVEPKMBEWYLAMX-LBPRGKRZSA-N 2 1 244.342 1.648 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)[nH]1 ZINC001205095388 965740075 /nfs/dbraw/zinc/74/00/75/965740075.db2.gz XLTVLVNHFMQAIH-NSHDSACASA-N 2 1 207.321 1.636 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(C)n1 ZINC001205116598 965864441 /nfs/dbraw/zinc/86/44/41/965864441.db2.gz DKMFDXPMSBEGJD-ZDUSSCGKSA-N 2 1 249.358 1.712 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)n1 ZINC001205116598 965864450 /nfs/dbraw/zinc/86/44/50/965864450.db2.gz DKMFDXPMSBEGJD-ZDUSSCGKSA-N 2 1 249.358 1.712 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2[nH]nc3c2CCC3)CC1 ZINC001205116637 965865158 /nfs/dbraw/zinc/86/51/58/965865158.db2.gz FGOHPXLFXNGZGZ-JTQLQIEISA-N 2 1 234.347 1.212 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2[nH]nc3c2CCC3)CC1 ZINC001205116637 965865166 /nfs/dbraw/zinc/86/51/66/965865166.db2.gz FGOHPXLFXNGZGZ-JTQLQIEISA-N 2 1 234.347 1.212 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c2CCN3)CC1 ZINC001205124085 965887873 /nfs/dbraw/zinc/88/78/73/965887873.db2.gz KCORMVYIABXDSG-ZDUSSCGKSA-N 2 1 245.370 1.968 20 0 BDADMP COc1ccccc1CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131191 965936261 /nfs/dbraw/zinc/93/62/61/965936261.db2.gz SSZZIBZUWIFGTI-GXTWGEPZSA-N 2 1 248.370 1.764 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000699555687 965974181 /nfs/dbraw/zinc/97/41/81/965974181.db2.gz CRMJUSWVZDMYTN-APYLGABCSA-N 2 1 238.375 1.626 20 0 BDADMP C(C1CCCCC1)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056281 965998291 /nfs/dbraw/zinc/99/82/91/965998291.db2.gz XKGOQCCUNUTHAG-CQSZACIVSA-N 2 1 237.391 1.204 20 0 BDADMP CCCCCC[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051939 965999091 /nfs/dbraw/zinc/99/90/91/965999091.db2.gz CVTQVSIAKXTKDO-CYBMUJFWSA-N 2 1 225.380 1.204 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccnc(F)c2)C[C@H]1C[NH3+] ZINC001205140334 966015614 /nfs/dbraw/zinc/01/56/14/966015614.db2.gz HFRUUFIVDAVXBJ-GXSJLCMTSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccnc(F)c2)C[C@H]1C[NH3+] ZINC001205140334 966015628 /nfs/dbraw/zinc/01/56/28/966015628.db2.gz HFRUUFIVDAVXBJ-GXSJLCMTSA-N 2 1 223.295 1.247 20 0 BDADMP CS[C@@H](C)CC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166355 966022590 /nfs/dbraw/zinc/02/25/90/966022590.db2.gz RTDFIFDCDBFPCF-GARJFASQSA-N 2 1 214.378 1.551 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166355 966022599 /nfs/dbraw/zinc/02/25/99/966022599.db2.gz RTDFIFDCDBFPCF-GARJFASQSA-N 2 1 214.378 1.551 20 0 BDADMP Cc1nc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1F ZINC001205150652 966054125 /nfs/dbraw/zinc/05/41/25/966054125.db2.gz GWRBKEQTKGWFPD-GXSJLCMTSA-N 2 1 237.322 1.556 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1F ZINC001205150652 966054139 /nfs/dbraw/zinc/05/41/39/966054139.db2.gz GWRBKEQTKGWFPD-GXSJLCMTSA-N 2 1 237.322 1.556 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000691352313 966103266 /nfs/dbraw/zinc/10/32/66/966103266.db2.gz XROASRFJBFQDFQ-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc2c1CCN2 ZINC001235894872 966143866 /nfs/dbraw/zinc/14/38/66/966143866.db2.gz ZYJGSXRENJFDAO-YPMHNXCESA-N 2 1 245.370 1.966 20 0 BDADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc2c1CCN2 ZINC001235894872 966143873 /nfs/dbraw/zinc/14/38/73/966143873.db2.gz ZYJGSXRENJFDAO-YPMHNXCESA-N 2 1 245.370 1.966 20 0 BDADMP COC1CCC(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235976780 966187183 /nfs/dbraw/zinc/18/71/83/966187183.db2.gz CCNWZIROQHIWGS-FKZOYECMSA-N 2 1 238.375 1.615 20 0 BDADMP Cc1cccc(CC[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235978283 966188323 /nfs/dbraw/zinc/18/83/23/966188323.db2.gz KCDSSARHYBBPIT-LSDHHAIUSA-N 2 1 230.355 1.961 20 0 BDADMP Cc1cccc(CC[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235978283 966188336 /nfs/dbraw/zinc/18/83/36/966188336.db2.gz KCDSSARHYBBPIT-LSDHHAIUSA-N 2 1 230.355 1.961 20 0 BDADMP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCNC1 ZINC001236003769 966225069 /nfs/dbraw/zinc/22/50/69/966225069.db2.gz AKQGAKXCUWADOP-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCNC1 ZINC001236003769 966225081 /nfs/dbraw/zinc/22/50/81/966225081.db2.gz AKQGAKXCUWADOP-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H](C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001236015995 966229942 /nfs/dbraw/zinc/22/99/42/966229942.db2.gz NUEYQGCWGXWLDR-MRVWCRGKSA-N 2 1 216.328 1.823 20 0 BDADMP C[C@H](C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001236015995 966229959 /nfs/dbraw/zinc/22/99/59/966229959.db2.gz NUEYQGCWGXWLDR-MRVWCRGKSA-N 2 1 216.328 1.823 20 0 BDADMP C[N@@H+](CC1(C)CC[NH2+]CC1)[C@H]1CCCC[C@@H]1N ZINC001236214686 966309379 /nfs/dbraw/zinc/30/93/79/966309379.db2.gz UQPVNCUAYMZOJU-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP CN(CC1(C)CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214686 966309396 /nfs/dbraw/zinc/30/93/96/966309396.db2.gz UQPVNCUAYMZOJU-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+]CCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380759 966652611 /nfs/dbraw/zinc/65/26/11/966652611.db2.gz HKRUKVNEITXBOX-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380759 966652618 /nfs/dbraw/zinc/65/26/18/966652618.db2.gz HKRUKVNEITXBOX-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP CCC[N@@H+](CC)C[C@@H]1CNC(C)(C)O1 ZINC001204611184 967101961 /nfs/dbraw/zinc/10/19/61/967101961.db2.gz CTXJUSOIJGRZDO-JTQLQIEISA-N 2 1 200.326 1.443 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001204797467 967177041 /nfs/dbraw/zinc/17/70/41/967177041.db2.gz ZJZGOLQUUBDHMP-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(N)[nH+]cn2)C1 ZINC000715569795 967181034 /nfs/dbraw/zinc/18/10/34/967181034.db2.gz HQPUOEOYNCVCOV-VHSXEESVSA-N 2 1 235.335 1.344 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(N)nc[nH+]2)C1 ZINC000715569795 967181045 /nfs/dbraw/zinc/18/10/45/967181045.db2.gz HQPUOEOYNCVCOV-VHSXEESVSA-N 2 1 235.335 1.344 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000715580904 967195941 /nfs/dbraw/zinc/19/59/41/967195941.db2.gz OEGJTRHLNWQSNI-MELADBBJSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@H]1O ZINC000691350810 967261229 /nfs/dbraw/zinc/26/12/29/967261229.db2.gz QTKXDFXUDDVWTL-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCC1CCOCC1 ZINC001205058668 967311981 /nfs/dbraw/zinc/31/19/81/967311981.db2.gz QUZRQVDUHKOKGH-AAEUAGOBSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCC1CCOCC1 ZINC001205058668 967311993 /nfs/dbraw/zinc/31/19/93/967311993.db2.gz QUZRQVDUHKOKGH-AAEUAGOBSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@@H]1CCCCO1 ZINC001205058635 967313992 /nfs/dbraw/zinc/31/39/92/967313992.db2.gz PJHPXFSNFKURFV-SRVKXCTJSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@@H]1CCCCO1 ZINC001205058635 967314003 /nfs/dbraw/zinc/31/40/03/967314003.db2.gz PJHPXFSNFKURFV-SRVKXCTJSA-N 2 1 212.337 1.367 20 0 BDADMP Cc1[nH+]cc(CN2[C@@H](C)CC[C@H]2C[NH3+])n1C ZINC001205064278 967322227 /nfs/dbraw/zinc/32/22/27/967322227.db2.gz MAWOOTWHLBHBPM-ONGXEEELSA-N 2 1 222.336 1.040 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205093776 967339212 /nfs/dbraw/zinc/33/92/12/967339212.db2.gz GARWKWHOCYTZDR-NSHDSACASA-N 2 1 220.320 1.098 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205093776 967339217 /nfs/dbraw/zinc/33/92/17/967339217.db2.gz GARWKWHOCYTZDR-NSHDSACASA-N 2 1 220.320 1.098 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001205102595 967349821 /nfs/dbraw/zinc/34/98/21/967349821.db2.gz UADMURKERGXONH-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001205102595 967349831 /nfs/dbraw/zinc/34/98/31/967349831.db2.gz UADMURKERGXONH-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(CO)o2)CC1 ZINC001205110312 967360060 /nfs/dbraw/zinc/36/00/60/967360060.db2.gz RVXROLIIIGZCAA-SNVBAGLBSA-N 2 1 224.304 1.085 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)CC1 ZINC001205110312 967360069 /nfs/dbraw/zinc/36/00/69/967360069.db2.gz RVXROLIIIGZCAA-SNVBAGLBSA-N 2 1 224.304 1.085 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3ncccc3[nH]2)CC1 ZINC001205116968 967366412 /nfs/dbraw/zinc/36/64/12/967366412.db2.gz KEZQCTZBDZFWAC-LLVKDONJSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccn3nccc3c2)CC1 ZINC001205124593 967368770 /nfs/dbraw/zinc/36/87/70/967368770.db2.gz WCRVNLJEURQKPW-ZDUSSCGKSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c2OCC3)CC1 ZINC001205124480 967368933 /nfs/dbraw/zinc/36/89/33/967368933.db2.gz SETOVNPWDKEORP-AWEZNQCLSA-N 2 1 246.354 1.935 20 0 BDADMP CCOc1cncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124661 967371404 /nfs/dbraw/zinc/37/14/04/967371404.db2.gz XJJLBBDUHVMYKZ-ZDUSSCGKSA-N 2 1 249.358 1.794 20 0 BDADMP CCOc1cncc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124661 967371411 /nfs/dbraw/zinc/37/14/11/967371411.db2.gz XJJLBBDUHVMYKZ-ZDUSSCGKSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@H]1C[N@H+](Cc2cc(F)ccn2)C[C@H]1C[NH3+] ZINC001205146169 967387336 /nfs/dbraw/zinc/38/73/36/967387336.db2.gz RIYQQGWXLVLOJG-VHSXEESVSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc(F)ccn2)C[C@H]1C[NH3+] ZINC001205146169 967387347 /nfs/dbraw/zinc/38/73/47/967387347.db2.gz RIYQQGWXLVLOJG-VHSXEESVSA-N 2 1 223.295 1.247 20 0 BDADMP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH3+] ZINC001205146168 967389113 /nfs/dbraw/zinc/38/91/13/967389113.db2.gz RGABJKCTGQBQLE-CMPLNLGQSA-N 3 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH3+] ZINC001205146168 967389129 /nfs/dbraw/zinc/38/91/29/967389129.db2.gz RGABJKCTGQBQLE-CMPLNLGQSA-N 3 1 244.342 1.590 20 0 BDADMP Cc1ncoc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140463 967390524 /nfs/dbraw/zinc/39/05/24/967390524.db2.gz HWJVKEYHXIYEDH-WCBMZHEXSA-N 2 1 209.293 1.010 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205170720 967407481 /nfs/dbraw/zinc/40/74/81/967407481.db2.gz BSBNHMXKIRJFDZ-NXEZZACHSA-N 2 1 212.337 1.413 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205170720 967407486 /nfs/dbraw/zinc/40/74/86/967407486.db2.gz BSBNHMXKIRJFDZ-NXEZZACHSA-N 2 1 212.337 1.413 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209686 967427264 /nfs/dbraw/zinc/42/72/64/967427264.db2.gz JWPXLDALLGVCAU-CHWSQXEVSA-N 2 1 228.380 1.598 20 0 BDADMP COCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255876 967441140 /nfs/dbraw/zinc/44/11/40/967441140.db2.gz MMAHKLNPYRMUMI-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CCc1nccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205263960 967454728 /nfs/dbraw/zinc/45/47/28/967454728.db2.gz GJZCOUNVPJRQND-CQSZACIVSA-N 2 1 248.374 1.742 20 0 BDADMP CCc1nccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205263960 967454729 /nfs/dbraw/zinc/45/47/29/967454729.db2.gz GJZCOUNVPJRQND-CQSZACIVSA-N 2 1 248.374 1.742 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccoc2)CC1 ZINC001205265142 967456707 /nfs/dbraw/zinc/45/67/07/967456707.db2.gz NMTIVEQTOOMOFY-LBPRGKRZSA-N 2 1 208.305 1.983 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205263876 967458919 /nfs/dbraw/zinc/45/89/19/967458919.db2.gz DPYUDLQSQGYRSE-CYBMUJFWSA-N 2 1 236.363 1.730 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001205539387 967662801 /nfs/dbraw/zinc/66/28/01/967662801.db2.gz YDSGHVIJZFFGDR-RYUDHWBXSA-N 2 1 230.327 1.176 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccncn2)CC1 ZINC001205559000 967695925 /nfs/dbraw/zinc/69/59/25/967695925.db2.gz MUZHXNRAMXHSMZ-LBPRGKRZSA-N 2 1 238.310 1.130 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)CC[C@H]1C[NH3+] ZINC001205601926 967716739 /nfs/dbraw/zinc/71/67/39/967716739.db2.gz GSUWZYXKGUURFP-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205604309 967722720 /nfs/dbraw/zinc/72/27/20/967722720.db2.gz UTIOZMYZCDRXCV-UONOGXRCSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncccc2N)CC[C@@H]1C[NH3+] ZINC001205616244 967725629 /nfs/dbraw/zinc/72/56/29/967725629.db2.gz DSKAHALXXYKIGS-NWDGAFQWSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnccc2N)CC[C@H]1C[NH3+] ZINC001205618576 967725962 /nfs/dbraw/zinc/72/59/62/967725962.db2.gz XGVFYPRDMLMERG-RYUDHWBXSA-N 2 1 248.374 1.301 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1C[NH3+] ZINC001205618057 967727818 /nfs/dbraw/zinc/72/78/18/967727818.db2.gz RACLSVKFQUHQRL-YPMHNXCESA-N 2 1 249.358 1.594 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205615984 967728315 /nfs/dbraw/zinc/72/83/15/967728315.db2.gz BLQHGCJLLQTQIP-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205615984 967728332 /nfs/dbraw/zinc/72/83/32/967728332.db2.gz BLQHGCJLLQTQIP-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205615984 967728347 /nfs/dbraw/zinc/72/83/47/967728347.db2.gz BLQHGCJLLQTQIP-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2[O-])CC[C@@H]1C[NH3+] ZINC001205627554 967735389 /nfs/dbraw/zinc/73/53/89/967735389.db2.gz QNFXYYLGRGMFIB-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ccncc2O)CC[C@@H]1C[NH3+] ZINC001205627554 967735402 /nfs/dbraw/zinc/73/54/02/967735402.db2.gz QNFXYYLGRGMFIB-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2O)CC[C@@H]1C[NH3+] ZINC001205627554 967735411 /nfs/dbraw/zinc/73/54/11/967735411.db2.gz QNFXYYLGRGMFIB-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnsc2)CC[C@H]1C[NH3+] ZINC001205638414 967735787 /nfs/dbraw/zinc/73/57/87/967735787.db2.gz NTLDISVTCZPNNA-PWSUYJOCSA-N 2 1 239.388 1.950 20 0 BDADMP Cc1coc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)n1 ZINC001205655198 967748195 /nfs/dbraw/zinc/74/81/95/967748195.db2.gz YZSHKVMIRKJLQL-CMPLNLGQSA-N 2 1 237.347 1.790 20 0 BDADMP CC(C)CCC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662868 967752274 /nfs/dbraw/zinc/75/22/74/967752274.db2.gz DZCDLZFQRCEJMH-ZDUSSCGKSA-N 2 1 228.380 1.598 20 0 BDADMP C[N@H+](Cc1cnoc1)CC1CC[NH+](C)CC1 ZINC001205697502 967781963 /nfs/dbraw/zinc/78/19/63/967781963.db2.gz XFNRYNGRGDBARR-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCC=CO2)CCC1(F)F ZINC001205735532 967808805 /nfs/dbraw/zinc/80/88/05/967808805.db2.gz NGRMMSHJHHLURR-QWRGUYRKSA-N 2 1 246.301 1.595 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCC1(F)F ZINC001205735532 967808806 /nfs/dbraw/zinc/80/88/06/967808806.db2.gz NGRMMSHJHHLURR-QWRGUYRKSA-N 2 1 246.301 1.595 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205803898 967830092 /nfs/dbraw/zinc/83/00/92/967830092.db2.gz KISLLIJVTGSCSQ-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205803898 967830093 /nfs/dbraw/zinc/83/00/93/967830093.db2.gz KISLLIJVTGSCSQ-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCCO ZINC001205902254 967880501 /nfs/dbraw/zinc/88/05/01/967880501.db2.gz JIMWHUVPZNFNAP-NWDGAFQWSA-N 2 1 214.353 1.208 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(N)c1 ZINC001205916114 967882834 /nfs/dbraw/zinc/88/28/34/967882834.db2.gz RXFCOWLHLNUGNP-AAEUAGOBSA-N 2 1 233.359 1.828 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001205983911 967933100 /nfs/dbraw/zinc/93/31/00/967933100.db2.gz PYGCIIGLUWMDHC-DGCLKSJQSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncccc2[O-])CCC[C@@H]1C[NH3+] ZINC001205992594 967941291 /nfs/dbraw/zinc/94/12/91/967941291.db2.gz FPFBQOLPXOQBMA-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@H+](Cc2ncccc2O)CCC[C@@H]1C[NH3+] ZINC001205992594 967941297 /nfs/dbraw/zinc/94/12/97/967941297.db2.gz FPFBQOLPXOQBMA-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncccc2O)CCC[C@@H]1C[NH3+] ZINC001205992594 967941310 /nfs/dbraw/zinc/94/13/10/967941310.db2.gz FPFBQOLPXOQBMA-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cn(C)cn2)CCC[C@@H]1C[NH3+] ZINC001205995912 967946106 /nfs/dbraw/zinc/94/61/06/967946106.db2.gz RSGMDVACXMHTGB-NWDGAFQWSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CCC[C@H]1C[NH3+] ZINC001205996159 967947254 /nfs/dbraw/zinc/94/72/54/967947254.db2.gz VOHAPINWGRKFRN-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001206004183 967954887 /nfs/dbraw/zinc/95/48/87/967954887.db2.gz RALPPUSIXISPAO-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2N)CCC[C@@H]1C[NH3+] ZINC001206014770 967964309 /nfs/dbraw/zinc/96/43/09/967964309.db2.gz XZPRXOOLIOLXQM-NWDGAFQWSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC001206028226 967985599 /nfs/dbraw/zinc/98/55/99/967985599.db2.gz XVFBDQRXUSTIEO-JQWIXIFHSA-N 2 1 237.347 1.790 20 0 BDADMP CCC[N@H+]1CC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000697746309 968036890 /nfs/dbraw/zinc/03/68/90/968036890.db2.gz DYJMUHKDYWVRTM-GFCCVEGCSA-N 2 1 238.379 1.047 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206165778 968104109 /nfs/dbraw/zinc/10/41/09/968104109.db2.gz OTWFLEBDWBFWTE-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)o1 ZINC001206197208 968127454 /nfs/dbraw/zinc/12/74/54/968127454.db2.gz GUIDJZAQLBSWTO-GHMZBOCLSA-N 2 1 241.310 1.553 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)o1 ZINC001206197208 968127462 /nfs/dbraw/zinc/12/74/62/968127462.db2.gz GUIDJZAQLBSWTO-GHMZBOCLSA-N 2 1 241.310 1.553 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001206276105 968190523 /nfs/dbraw/zinc/19/05/23/968190523.db2.gz BYIQWPLWEKRDQP-GFCCVEGCSA-N 3 1 233.359 1.187 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001206276105 968190530 /nfs/dbraw/zinc/19/05/30/968190530.db2.gz BYIQWPLWEKRDQP-GFCCVEGCSA-N 3 1 233.359 1.187 20 0 BDADMP Cc1nc([C@@H]2CCC[N@@H+](CCCC[NH3+])C2)no1 ZINC001206285760 968197885 /nfs/dbraw/zinc/19/78/85/968197885.db2.gz NXDUREFTOPORNA-LLVKDONJSA-N 2 1 238.335 1.296 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cncnc2)CC1 ZINC001206304196 968208721 /nfs/dbraw/zinc/20/87/21/968208721.db2.gz HDVQRCFIRFMQCB-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206304716 968211025 /nfs/dbraw/zinc/21/10/25/968211025.db2.gz ONTIVAZPQGLWHX-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001206305456 968213450 /nfs/dbraw/zinc/21/34/50/968213450.db2.gz ZTHUOEGYHQHKFF-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)co1 ZINC001206305225 968215542 /nfs/dbraw/zinc/21/55/42/968215542.db2.gz WOJKZPFSHWNWCU-CYBMUJFWSA-N 2 1 237.347 1.934 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccnnc2)CC1 ZINC001206311915 968217367 /nfs/dbraw/zinc/21/73/67/968217367.db2.gz WTRCFSULTBWGRE-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2N)CC1 ZINC001206311525 968217679 /nfs/dbraw/zinc/21/76/79/968217679.db2.gz QGEBTRHEGGUTGP-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnco2)C1 ZINC001206556231 968355895 /nfs/dbraw/zinc/35/58/95/968355895.db2.gz OZPXYBLDHCKJSA-LBPRGKRZSA-N 2 1 223.320 1.626 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnco2)C1 ZINC001206556231 968355902 /nfs/dbraw/zinc/35/59/02/968355902.db2.gz OZPXYBLDHCKJSA-LBPRGKRZSA-N 2 1 223.320 1.626 20 0 BDADMP CC(C)c1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206535237 968362600 /nfs/dbraw/zinc/36/26/00/968362600.db2.gz GWLLOJUPFVXZMN-GJZGRUSLSA-N 2 1 248.370 1.561 20 0 BDADMP COC(C[N@H+]1CCCC[C@](C)(C[NH3+])C1)OC ZINC001206541295 968366645 /nfs/dbraw/zinc/36/66/45/968366645.db2.gz GIOQWMLAIKYTQH-GFCCVEGCSA-N 2 1 230.352 1.056 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541956 968367785 /nfs/dbraw/zinc/36/77/85/968367785.db2.gz OGPFPCFPXOGRAC-DGCLKSJQSA-N 2 1 242.363 1.246 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206549865 968375609 /nfs/dbraw/zinc/37/56/09/968375609.db2.gz RHSYJHXJBSZLFJ-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206549865 968375621 /nfs/dbraw/zinc/37/56/21/968375621.db2.gz RHSYJHXJBSZLFJ-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnco2)C1 ZINC001206556230 968380838 /nfs/dbraw/zinc/38/08/38/968380838.db2.gz OZPXYBLDHCKJSA-GFCCVEGCSA-N 2 1 223.320 1.626 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnco2)C1 ZINC001206556230 968380843 /nfs/dbraw/zinc/38/08/43/968380843.db2.gz OZPXYBLDHCKJSA-GFCCVEGCSA-N 2 1 223.320 1.626 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206607379 968413979 /nfs/dbraw/zinc/41/39/79/968413979.db2.gz ZTQQUBBZPVABLT-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206607379 968413987 /nfs/dbraw/zinc/41/39/87/968413987.db2.gz ZTQQUBBZPVABLT-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP Nc1cnccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206624893 968423281 /nfs/dbraw/zinc/42/32/81/968423281.db2.gz ZRBUDYLYBDCNTP-NSHDSACASA-N 2 1 234.347 1.225 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cnco2)C1 ZINC001206624597 968423880 /nfs/dbraw/zinc/42/38/80/968423880.db2.gz WXMSTPNXQUZXKJ-SNVBAGLBSA-N 2 1 209.293 1.235 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cnco2)C1 ZINC001206624597 968423886 /nfs/dbraw/zinc/42/38/86/968423886.db2.gz WXMSTPNXQUZXKJ-SNVBAGLBSA-N 2 1 209.293 1.235 20 0 BDADMP C[N@H+]1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206701331 968436730 /nfs/dbraw/zinc/43/67/30/968436730.db2.gz VYPYRNMAAIRJIW-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP CC[N@H+]1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206709105 968436575 /nfs/dbraw/zinc/43/65/75/968436575.db2.gz CEWXHYLRJCIKRS-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP CC1(C[NH3+])C[NH+](Cc2cccc3cc[nH]c32)C1 ZINC001206730274 968445120 /nfs/dbraw/zinc/44/51/20/968445120.db2.gz QFBRLYONOBAOCY-UHFFFAOYSA-N 2 1 229.327 1.949 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]([N@H+](C)C3CC3)C2)n1C ZINC001206795775 968481733 /nfs/dbraw/zinc/48/17/33/968481733.db2.gz LADCPLLLZPDOJK-ZDUSSCGKSA-N 2 1 248.374 1.397 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]([N@@H+](C)C3CC3)C2)n1C ZINC001206795775 968481737 /nfs/dbraw/zinc/48/17/37/968481737.db2.gz LADCPLLLZPDOJK-ZDUSSCGKSA-N 2 1 248.374 1.397 20 0 BDADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[NH+](C)C1 ZINC001276496427 968491274 /nfs/dbraw/zinc/49/12/74/968491274.db2.gz BQKKBOJLNLZPKE-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CCCC[C@H](O)C[N@@H+](C)CCC[NH+](C)C ZINC001252076369 968494371 /nfs/dbraw/zinc/49/43/71/968494371.db2.gz KIHBQJCSXQFIDF-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc[nH]c3=O)C2)C1 ZINC001207009747 968547034 /nfs/dbraw/zinc/54/70/34/968547034.db2.gz YHTUSHSCJHFLRS-AWEZNQCLSA-N 2 1 247.342 1.315 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)C1 ZINC001207009747 968547039 /nfs/dbraw/zinc/54/70/39/968547039.db2.gz YHTUSHSCJHFLRS-AWEZNQCLSA-N 2 1 247.342 1.315 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc[nH]c3=O)C2)C1 ZINC001207009747 968547043 /nfs/dbraw/zinc/54/70/43/968547043.db2.gz YHTUSHSCJHFLRS-AWEZNQCLSA-N 2 1 247.342 1.315 20 0 BDADMP CN(Cc1[nH+]cc2ccccn21)[C@H]1CC[N@H+](C)C1 ZINC001207053745 968587306 /nfs/dbraw/zinc/58/73/06/968587306.db2.gz XQDZQZUSAFRBIF-ZDUSSCGKSA-N 2 1 244.342 1.470 20 0 BDADMP CN(Cc1[nH+]cc2ccccn21)[C@H]1CC[N@@H+](C)C1 ZINC001207053745 968587313 /nfs/dbraw/zinc/58/73/13/968587313.db2.gz XQDZQZUSAFRBIF-ZDUSSCGKSA-N 2 1 244.342 1.470 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+]CC(C)(C)O ZINC001252365211 968643592 /nfs/dbraw/zinc/64/35/92/968643592.db2.gz IKPZXCPAGDKGKP-UHFFFAOYSA-N 2 1 216.369 1.469 20 0 BDADMP C[C@H]1CC[C@H](CO)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275712 968714008 /nfs/dbraw/zinc/71/40/08/968714008.db2.gz ODWLNVDPSUVLCA-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC23CC3)CC1 ZINC001207392293 968749642 /nfs/dbraw/zinc/74/96/42/968749642.db2.gz YGEFWADWJURKNR-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CCn3nccc3C2)CC1 ZINC001207400566 968752575 /nfs/dbraw/zinc/75/25/75/968752575.db2.gz FYZAHYDMOXRIJH-UHFFFAOYSA-N 2 1 234.347 1.041 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCn3nccc3C2)CC1 ZINC001207400566 968752582 /nfs/dbraw/zinc/75/25/82/968752582.db2.gz FYZAHYDMOXRIJH-UHFFFAOYSA-N 2 1 234.347 1.041 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001207399647 968752981 /nfs/dbraw/zinc/75/29/81/968752981.db2.gz QBYKQUQGJVEHNO-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC(=O)CC2)CC1 ZINC001207395779 968753256 /nfs/dbraw/zinc/75/32/56/968753256.db2.gz XIKXPIUROPDZRJ-UHFFFAOYSA-N 2 1 224.348 1.383 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CC[C@H](O)CC1 ZINC001207435263 968770072 /nfs/dbraw/zinc/77/00/72/968770072.db2.gz BTAJXTYQXGWIQG-JOCQHMNTSA-N 2 1 226.364 1.221 20 0 BDADMP CN(C1CC1)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207440895 968774521 /nfs/dbraw/zinc/77/45/21/968774521.db2.gz JWIFHMJKSYIODR-CQSZACIVSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207440916 968776062 /nfs/dbraw/zinc/77/60/62/968776062.db2.gz LYVYEIMDVRDSSQ-ZIAGYGMSSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001207487276 968798172 /nfs/dbraw/zinc/79/81/72/968798172.db2.gz WDQJNADVGUETKY-ZSOGYDGISA-N 2 1 240.366 1.866 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001207486537 968798922 /nfs/dbraw/zinc/79/89/22/968798922.db2.gz JXIFMSFLBGEHJU-BETUJISGSA-N 2 1 224.348 1.191 20 0 BDADMP COC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000829276040 968830571 /nfs/dbraw/zinc/83/05/71/968830571.db2.gz RUPCYTZOKCPZEY-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP Cc1cc2c(nc[nH+]c2N[C@H]2CCC[C@@H]([NH3+])C2)[nH]1 ZINC001154985965 968839220 /nfs/dbraw/zinc/83/92/20/968839220.db2.gz PNASCSWEPSSTCT-ZJUUUORDSA-N 2 1 245.330 1.948 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207896186 968907033 /nfs/dbraw/zinc/90/70/33/968907033.db2.gz KYSONYZUGVKSNK-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207896186 968907044 /nfs/dbraw/zinc/90/70/44/968907044.db2.gz KYSONYZUGVKSNK-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207896186 968907046 /nfs/dbraw/zinc/90/70/46/968907046.db2.gz KYSONYZUGVKSNK-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+](C[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC001207950213 968943057 /nfs/dbraw/zinc/94/30/57/968943057.db2.gz PRYQPUUZBIEDQN-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC001207950213 968943068 /nfs/dbraw/zinc/94/30/68/968943068.db2.gz PRYQPUUZBIEDQN-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC001207963338 968961625 /nfs/dbraw/zinc/96/16/25/968961625.db2.gz GCDCQUDYLGXUOL-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC001207963338 968961627 /nfs/dbraw/zinc/96/16/27/968961627.db2.gz GCDCQUDYLGXUOL-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC001207963338 968961633 /nfs/dbraw/zinc/96/16/33/968961633.db2.gz GCDCQUDYLGXUOL-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252789101 968965507 /nfs/dbraw/zinc/96/55/07/968965507.db2.gz HZPAJPZLLNIMQN-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208105582 969000368 /nfs/dbraw/zinc/00/03/68/969000368.db2.gz YJQJPHIMYJCUQS-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107864 969001004 /nfs/dbraw/zinc/00/10/04/969001004.db2.gz LFBHICNUAYQHBG-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](CCN(C)C)CC1(C)CC[NH+](C)CC1 ZINC001208103008 969002546 /nfs/dbraw/zinc/00/25/46/969002546.db2.gz JOGFQXJAHBGEKA-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001208110752 969005767 /nfs/dbraw/zinc/00/57/67/969005767.db2.gz FVPCGLJYODMBCT-NWDGAFQWSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001208110752 969005777 /nfs/dbraw/zinc/00/57/77/969005777.db2.gz FVPCGLJYODMBCT-NWDGAFQWSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001208110071 969007749 /nfs/dbraw/zinc/00/77/49/969007749.db2.gz WDAYPOMSYNOTIP-XYYAHUGASA-N 2 1 240.366 1.866 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCCC12CC2 ZINC001253175290 969099641 /nfs/dbraw/zinc/09/96/41/969099641.db2.gz IYNVXSQLMFPPQL-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](C)CC1(C[NH+]2CC3(COC3)C2)CCCC1 ZINC001208182499 969112742 /nfs/dbraw/zinc/11/27/42/969112742.db2.gz YIZADKBUJCCWHN-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H](O)C2)CCCC1 ZINC001208182021 969113325 /nfs/dbraw/zinc/11/33/25/969113325.db2.gz KTDGDNRASIZTSN-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)CC1(C[N@@H+](C)CC2COC2)CCCC1 ZINC001208186205 969117620 /nfs/dbraw/zinc/11/76/20/969117620.db2.gz OQAQCBJCIUEXLK-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001324488091 969139963 /nfs/dbraw/zinc/13/99/63/969139963.db2.gz LVANWJAGQXHFEH-MELADBBJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](COC)C2)CC1 ZINC001208592084 969149061 /nfs/dbraw/zinc/14/90/61/969149061.db2.gz DDVRMVJUPGKJIZ-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](C)C2)CC1 ZINC001208593138 969151965 /nfs/dbraw/zinc/15/19/65/969151965.db2.gz ODWUQSSGNRRORA-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC(C[N@H+](C)Cc2ncccn2)CC1 ZINC001208595928 969152502 /nfs/dbraw/zinc/15/25/02/969152502.db2.gz YNKGFRJTIVJBGW-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)Cc2ncccn2)CC1 ZINC001208595928 969152509 /nfs/dbraw/zinc/15/25/09/969152509.db2.gz YNKGFRJTIVJBGW-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253394054 969154809 /nfs/dbraw/zinc/15/48/09/969154809.db2.gz DYKBQEBGYQBCFO-YFKTTZPYSA-N 2 1 244.354 1.168 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253394054 969154811 /nfs/dbraw/zinc/15/48/11/969154811.db2.gz DYKBQEBGYQBCFO-YFKTTZPYSA-N 2 1 244.354 1.168 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001208603229 969158451 /nfs/dbraw/zinc/15/84/51/969158451.db2.gz WULDVPDUDVKMPA-OLZOCXBDSA-N 2 1 224.348 1.191 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001208603229 969158459 /nfs/dbraw/zinc/15/84/59/969158459.db2.gz WULDVPDUDVKMPA-OLZOCXBDSA-N 2 1 224.348 1.191 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC001208605091 969159058 /nfs/dbraw/zinc/15/90/58/969159058.db2.gz YMZJTZUPPOWDEU-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC001208605091 969159064 /nfs/dbraw/zinc/15/90/64/969159064.db2.gz YMZJTZUPPOWDEU-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC001208605091 969159070 /nfs/dbraw/zinc/15/90/70/969159070.db2.gz YMZJTZUPPOWDEU-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208609108 969163064 /nfs/dbraw/zinc/16/30/64/969163064.db2.gz YCUMBRMOQPIPIL-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208609108 969163067 /nfs/dbraw/zinc/16/30/67/969163067.db2.gz YCUMBRMOQPIPIL-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208609108 969163071 /nfs/dbraw/zinc/16/30/71/969163071.db2.gz YCUMBRMOQPIPIL-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208609108 969163075 /nfs/dbraw/zinc/16/30/75/969163075.db2.gz YCUMBRMOQPIPIL-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208614172 969172529 /nfs/dbraw/zinc/17/25/29/969172529.db2.gz LBKGYQTZPHMASS-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208614172 969172538 /nfs/dbraw/zinc/17/25/38/969172538.db2.gz LBKGYQTZPHMASS-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001208614172 969172540 /nfs/dbraw/zinc/17/25/40/969172540.db2.gz LBKGYQTZPHMASS-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001208614172 969172544 /nfs/dbraw/zinc/17/25/44/969172544.db2.gz LBKGYQTZPHMASS-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC/C=C\CC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001208730519 969216870 /nfs/dbraw/zinc/21/68/70/969216870.db2.gz YEUXTEVHHKWPTD-WAYWQWQTSA-N 2 1 239.407 1.522 20 0 BDADMP CCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001253562499 969233569 /nfs/dbraw/zinc/23/35/69/969233569.db2.gz DMPHZZITQXSBRS-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CCCCC[C@@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001253563623 969235141 /nfs/dbraw/zinc/23/51/41/969235141.db2.gz LHYTZVMCHALRRE-GFCCVEGCSA-N 2 1 239.363 1.873 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)CCC[C@@H]1C[NH3+] ZINC001205994139 969244304 /nfs/dbraw/zinc/24/43/04/969244304.db2.gz JRPPOTYOJCCHRQ-TZMCWYRMSA-N 2 1 233.359 1.888 20 0 BDADMP C[N@H+]1CC=C(n2c[nH+]c3cccc(N)c32)CC1 ZINC001208838025 969249361 /nfs/dbraw/zinc/24/93/61/969249361.db2.gz MWNHYBBLWTWUHP-UHFFFAOYSA-N 2 1 228.299 1.795 20 0 BDADMP C[N@@H+]1CC=C(n2c[nH+]c3cccc(N)c32)CC1 ZINC001208838025 969249370 /nfs/dbraw/zinc/24/93/70/969249370.db2.gz MWNHYBBLWTWUHP-UHFFFAOYSA-N 2 1 228.299 1.795 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc[nH]c2=O)CCC[C@H]1C[NH3+] ZINC001205995843 969268032 /nfs/dbraw/zinc/26/80/32/969268032.db2.gz RBCYZLOXNIHVCX-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC001208881720 969271547 /nfs/dbraw/zinc/27/15/47/969271547.db2.gz DYGBLUXTEVTFIN-MGPQQGTHSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC001208881720 969271551 /nfs/dbraw/zinc/27/15/51/969271551.db2.gz DYGBLUXTEVTFIN-MGPQQGTHSA-N 2 1 236.359 1.563 20 0 BDADMP CC(C)(C)[C@@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001253748964 969367233 /nfs/dbraw/zinc/36/72/33/969367233.db2.gz RFRSRYHHGVOHLD-JTQLQIEISA-N 2 1 225.336 1.339 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCOC1)C2 ZINC001169094549 969384114 /nfs/dbraw/zinc/38/41/14/969384114.db2.gz MKJBPCYVSRPMMB-XDQVBPFNSA-N 2 1 238.375 1.628 20 0 BDADMP Cn1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169098397 969391935 /nfs/dbraw/zinc/39/19/35/969391935.db2.gz HFMQSYANEHTQDS-BTTYYORXSA-N 2 1 248.374 1.177 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169099128 969393303 /nfs/dbraw/zinc/39/33/03/969393303.db2.gz NTYKRDFNCCTRQQ-XXCSZPINSA-N 2 1 224.348 1.379 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)C2 ZINC001169098089 969394003 /nfs/dbraw/zinc/39/40/03/969394003.db2.gz FRJNENFZNACVDS-XYYAHUGASA-N 2 1 247.342 1.502 20 0 BDADMP C[C@@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078762 969395716 /nfs/dbraw/zinc/39/57/16/969395716.db2.gz GGHLZEQTCVLAKE-WISYIIOYSA-N 2 1 234.347 1.701 20 0 BDADMP C[C@H]([NH3+])c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078761 969397636 /nfs/dbraw/zinc/39/76/36/969397636.db2.gz GGHLZEQTCVLAKE-NNYUYHANSA-N 2 1 234.347 1.701 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cncc1CC[NH3+])C2 ZINC001169082185 969401650 /nfs/dbraw/zinc/40/16/50/969401650.db2.gz YFHMFMZOEZIWTL-PJXYFTJBSA-N 2 1 234.347 1.182 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(CO)CCC1)C2 ZINC001169091143 969407781 /nfs/dbraw/zinc/40/77/81/969407781.db2.gz ODXHWJYKKNPHRD-XYYAHUGASA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CO)CCCC1)C2 ZINC001169092128 969409655 /nfs/dbraw/zinc/40/96/55/969409655.db2.gz YCGSWDHXUMNEQL-CLLJXQQHSA-N 2 1 238.375 1.506 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001169089794 969409892 /nfs/dbraw/zinc/40/98/92/969409892.db2.gz FYOPECNOSNSLMZ-FVCCEPFGSA-N 2 1 223.364 1.035 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ncc3c1CC[NH2+]C3)C2 ZINC001169124865 969423571 /nfs/dbraw/zinc/42/35/71/969423571.db2.gz FSPQELAGOHUGBR-CLLJXQQHSA-N 2 1 246.358 1.327 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H](O)C1)C2 ZINC001169126166 969433840 /nfs/dbraw/zinc/43/38/40/969433840.db2.gz QMCFDZHYPODNJJ-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H](O)C1)C2 ZINC001169126166 969433844 /nfs/dbraw/zinc/43/38/44/969433844.db2.gz QMCFDZHYPODNJJ-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H](O)C1)C2 ZINC001169126166 969433848 /nfs/dbraw/zinc/43/38/48/969433848.db2.gz QMCFDZHYPODNJJ-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108167 969449884 /nfs/dbraw/zinc/44/98/84/969449884.db2.gz OZNOFEVCEPWIHF-POQQGIQPSA-N 2 1 238.375 1.626 20 0 BDADMP CC[C@H]1COCCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142608 969452962 /nfs/dbraw/zinc/45/29/62/969452962.db2.gz DLISBCALWCVGQV-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP CCO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169155639 969475078 /nfs/dbraw/zinc/47/50/78/969475078.db2.gz TYZJKAQGSPDIGC-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP CCO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169155639 969475085 /nfs/dbraw/zinc/47/50/85/969475085.db2.gz TYZJKAQGSPDIGC-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP CCO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169155639 969475095 /nfs/dbraw/zinc/47/50/95/969475095.db2.gz TYZJKAQGSPDIGC-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP Cc1cc2[nH+]ccn2cc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169233186 969515289 /nfs/dbraw/zinc/51/52/89/969515289.db2.gz NQLMWHPBPDDQRX-SNVBAGLBSA-N 2 1 241.298 1.848 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001169245641 969536103 /nfs/dbraw/zinc/53/61/03/969536103.db2.gz GZPIRSAACBLKDP-OLZOCXBDSA-N 2 1 244.354 1.266 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001169245641 969536110 /nfs/dbraw/zinc/53/61/10/969536110.db2.gz GZPIRSAACBLKDP-OLZOCXBDSA-N 2 1 244.354 1.266 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](OC)C[C@H]2C)CC1 ZINC001169267907 969555244 /nfs/dbraw/zinc/55/52/44/969555244.db2.gz BTXPAZUEIXUFTI-TZMCWYRMSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](OC)C[C@H]2C)CC1 ZINC001169267907 969555251 /nfs/dbraw/zinc/55/52/51/969555251.db2.gz BTXPAZUEIXUFTI-TZMCWYRMSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@]1(CF)CC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730593 969589706 /nfs/dbraw/zinc/58/97/06/969589706.db2.gz ZCGORZKOWVUBCF-LBPRGKRZSA-N 2 1 223.295 1.676 20 0 BDADMP C[C@@]1(CF)CC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730593 969589710 /nfs/dbraw/zinc/58/97/10/969589710.db2.gz ZCGORZKOWVUBCF-LBPRGKRZSA-N 2 1 223.295 1.676 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209734258 969600595 /nfs/dbraw/zinc/60/05/95/969600595.db2.gz PRTOOJOOCPGTKY-UHFFFAOYSA-N 3 1 248.374 1.268 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2cccnc2C[NH3+])CC1 ZINC001254507753 969651561 /nfs/dbraw/zinc/65/15/61/969651561.db2.gz CXGMCNJSQMLGAB-LLVKDONJSA-N 2 1 234.347 1.437 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC1 ZINC001254503632 969664761 /nfs/dbraw/zinc/66/47/61/969664761.db2.gz NZKVZHFXDMWUCV-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)N(CCC[NH3+])[C@@H]1CCC[N@@H+](C)CC1 ZINC001254501831 969667284 /nfs/dbraw/zinc/66/72/84/969667284.db2.gz YUOYCCUDMMSFNA-CYBMUJFWSA-N 2 1 227.396 1.530 20 0 BDADMP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCC[NH+](C)CC1 ZINC001254501831 969667289 /nfs/dbraw/zinc/66/72/89/969667289.db2.gz YUOYCCUDMMSFNA-CYBMUJFWSA-N 3 1 227.396 1.530 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCC[NH+](C)CC1 ZINC001254501831 969667295 /nfs/dbraw/zinc/66/72/95/969667295.db2.gz YUOYCCUDMMSFNA-CYBMUJFWSA-N 3 1 227.396 1.530 20 0 BDADMP CC(C)[NH+](CCC[NH3+])[C@@H]1CCC[N@H+](C)CC1 ZINC001254501831 969667305 /nfs/dbraw/zinc/66/73/05/969667305.db2.gz YUOYCCUDMMSFNA-CYBMUJFWSA-N 3 1 227.396 1.530 20 0 BDADMP CC(C)[NH+](CCC[NH3+])[C@@H]1CCC[N@@H+](C)CC1 ZINC001254501831 969667309 /nfs/dbraw/zinc/66/73/09/969667309.db2.gz YUOYCCUDMMSFNA-CYBMUJFWSA-N 3 1 227.396 1.530 20 0 BDADMP Cc1ncncc1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254513865 969679227 /nfs/dbraw/zinc/67/92/27/969679227.db2.gz GRWWMVBOISDNGG-CYBMUJFWSA-N 2 1 234.347 1.359 20 0 BDADMP Cc1ncncc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254513865 969679230 /nfs/dbraw/zinc/67/92/30/969679230.db2.gz GRWWMVBOISDNGG-CYBMUJFWSA-N 2 1 234.347 1.359 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(F)nc2)CC1 ZINC001254508185 969681527 /nfs/dbraw/zinc/68/15/27/969681527.db2.gz HUXVVMYNOYEHKE-LBPRGKRZSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)nc2)CC1 ZINC001254508185 969681533 /nfs/dbraw/zinc/68/15/33/969681533.db2.gz HUXVVMYNOYEHKE-LBPRGKRZSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@H+]1CCC[C@@H](n2cnc3c2C[NH2+]CC3)CC1 ZINC001254515824 969688969 /nfs/dbraw/zinc/68/89/69/969688969.db2.gz DQRFWFPVBIHSDU-LLVKDONJSA-N 2 1 234.347 1.186 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254518577 969696440 /nfs/dbraw/zinc/69/64/40/969696440.db2.gz CBVOJMOBKDMJGQ-CYBMUJFWSA-N 2 1 248.374 1.491 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254518577 969696444 /nfs/dbraw/zinc/69/64/44/969696444.db2.gz CBVOJMOBKDMJGQ-CYBMUJFWSA-N 2 1 248.374 1.491 20 0 BDADMP C[N@H+](Cc1cccnc1)[C@H]1CCC[NH+](C)CC1 ZINC001254516800 969696715 /nfs/dbraw/zinc/69/67/15/969696715.db2.gz PVBHIRGYVAOAEN-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH+](C)CC1 ZINC001254516800 969696727 /nfs/dbraw/zinc/69/67/27/969696727.db2.gz PVBHIRGYVAOAEN-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1cccnc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254516800 969696736 /nfs/dbraw/zinc/69/67/36/969696736.db2.gz PVBHIRGYVAOAEN-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1cccnc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254516800 969696738 /nfs/dbraw/zinc/69/67/38/969696738.db2.gz PVBHIRGYVAOAEN-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP COCC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254517956 969698069 /nfs/dbraw/zinc/69/80/69/969698069.db2.gz ZVQJNPFYQJPOJK-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CN([C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254522587 969711280 /nfs/dbraw/zinc/71/12/80/969711280.db2.gz HLAMNBCSPUGKEG-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522587 969711289 /nfs/dbraw/zinc/71/12/89/969711289.db2.gz HLAMNBCSPUGKEG-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522587 969711301 /nfs/dbraw/zinc/71/13/01/969711301.db2.gz HLAMNBCSPUGKEG-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001254526362 969718783 /nfs/dbraw/zinc/71/87/83/969718783.db2.gz QZSFNGKUIVBGHZ-FRRDWIJNSA-N 2 1 236.359 1.382 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001254526362 969718788 /nfs/dbraw/zinc/71/87/88/969718788.db2.gz QZSFNGKUIVBGHZ-FRRDWIJNSA-N 2 1 236.359 1.382 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001254526362 969718792 /nfs/dbraw/zinc/71/87/92/969718792.db2.gz QZSFNGKUIVBGHZ-FRRDWIJNSA-N 2 1 236.359 1.382 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001254526362 969718796 /nfs/dbraw/zinc/71/87/96/969718796.db2.gz QZSFNGKUIVBGHZ-FRRDWIJNSA-N 2 1 236.359 1.382 20 0 BDADMP C[N@@H+](CC1COC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525675 969723933 /nfs/dbraw/zinc/72/39/33/969723933.db2.gz KUKOJIJZAYDNQL-GFCCVEGCSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](CC1COC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525675 969723945 /nfs/dbraw/zinc/72/39/45/969723945.db2.gz KUKOJIJZAYDNQL-GFCCVEGCSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](CC1COC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525675 969723953 /nfs/dbraw/zinc/72/39/53/969723953.db2.gz KUKOJIJZAYDNQL-GFCCVEGCSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccc3c2CC[NH2+]C3)CC1 ZINC001254531012 969732412 /nfs/dbraw/zinc/73/24/12/969732412.db2.gz ISXMGDFDOIEJSK-CYBMUJFWSA-N 2 1 233.359 1.791 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254835098 969799592 /nfs/dbraw/zinc/79/95/92/969799592.db2.gz DVEFSUNDUDHHAV-AWEZNQCLSA-N 2 1 248.374 1.265 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254922194 969821398 /nfs/dbraw/zinc/82/13/98/969821398.db2.gz MVLYPRIHUJZRDB-ITGUQSILSA-N 2 1 238.375 1.803 20 0 BDADMP C[N@@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254938551 969829161 /nfs/dbraw/zinc/82/91/61/969829161.db2.gz AUUQDBKAWKQENC-SRVKXCTJSA-N 2 1 236.359 1.285 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254938551 969829166 /nfs/dbraw/zinc/82/91/66/969829166.db2.gz AUUQDBKAWKQENC-SRVKXCTJSA-N 2 1 236.359 1.285 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCSCC3)C[C@@H]2C1 ZINC001255088820 969923249 /nfs/dbraw/zinc/92/32/49/969923249.db2.gz FAMVCYJVJFGDTG-NEPJUHHUSA-N 2 1 240.416 1.766 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCSC1)C2 ZINC001255269878 970019010 /nfs/dbraw/zinc/01/90/10/970019010.db2.gz QGQRFBRGNYNFMR-WISYIIOYSA-N 2 1 226.389 1.707 20 0 BDADMP C[N@H+]1CC[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001255412788 970130067 /nfs/dbraw/zinc/13/00/67/970130067.db2.gz SELBLAUHKJADHB-QWHCGFSZSA-N 2 1 231.343 1.081 20 0 BDADMP C[C@@H]([NH3+])c1nc2ccccc2n1[C@H]1CC[N@@H+](C)C1 ZINC001255412206 970131915 /nfs/dbraw/zinc/13/19/15/970131915.db2.gz MEYLTPKPWSCUSD-MNOVXSKESA-N 2 1 244.342 1.933 20 0 BDADMP C[N@H+]1CC[C@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001255412787 970132253 /nfs/dbraw/zinc/13/22/53/970132253.db2.gz SELBLAUHKJADHB-OLZOCXBDSA-N 2 1 231.343 1.081 20 0 BDADMP CCCC[N@H+](C)CCN[C@H]1CCC[NH+](C)C1 ZINC001255467766 970193204 /nfs/dbraw/zinc/19/32/04/970193204.db2.gz LBJSPGQZPYDGKR-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[NH+](C)C1 ZINC001255467766 970193212 /nfs/dbraw/zinc/19/32/12/970193212.db2.gz LBJSPGQZPYDGKR-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CCC[N@H+](C)C1 ZINC001255467766 970193219 /nfs/dbraw/zinc/19/32/19/970193219.db2.gz LBJSPGQZPYDGKR-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CCC[N@@H+](C)C1 ZINC001255467766 970193231 /nfs/dbraw/zinc/19/32/31/970193231.db2.gz LBJSPGQZPYDGKR-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001255475815 970205366 /nfs/dbraw/zinc/20/53/66/970205366.db2.gz VWVBAKILVLBOGA-AWEZNQCLSA-N 2 1 233.359 1.694 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001255477598 970214438 /nfs/dbraw/zinc/21/44/38/970214438.db2.gz NXZWGKSTTWRCJF-LBPRGKRZSA-N 2 1 237.322 1.791 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001255490373 970244129 /nfs/dbraw/zinc/24/41/29/970244129.db2.gz VGCDZLJLVKEJHP-CHWSQXEVSA-N 2 1 248.374 1.617 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1CN([C@H]1CCC[NH+](C)C1)CC2 ZINC001255493165 970249114 /nfs/dbraw/zinc/24/91/14/970249114.db2.gz UUBIHSORWNPRGV-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN([C@H]1CCC[N@H+](C)C1)CC2 ZINC001255493165 970249122 /nfs/dbraw/zinc/24/91/22/970249122.db2.gz UUBIHSORWNPRGV-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN([C@H]1CCC[N@@H+](C)C1)CC2 ZINC001255493165 970249132 /nfs/dbraw/zinc/24/91/32/970249132.db2.gz UUBIHSORWNPRGV-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC001170119273 970347215 /nfs/dbraw/zinc/34/72/15/970347215.db2.gz XBYZERAKYPOLLO-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001255562939 970349058 /nfs/dbraw/zinc/34/90/58/970349058.db2.gz PWANVSSIAHQRJT-LBPRGKRZSA-N 2 1 249.358 1.366 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001255582992 970389845 /nfs/dbraw/zinc/38/98/45/970389845.db2.gz GMXSDQIUXLMDHH-SRVKXCTJSA-N 2 1 212.337 1.047 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001170147705 970440294 /nfs/dbraw/zinc/44/02/94/970440294.db2.gz DXGTVCIZGHNAAF-VXGBXAGGSA-N 2 1 219.332 1.930 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001170147705 970440299 /nfs/dbraw/zinc/44/02/99/970440299.db2.gz DXGTVCIZGHNAAF-VXGBXAGGSA-N 2 1 219.332 1.930 20 0 BDADMP CC(C)N(CC[NH3+])C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255666159 970446888 /nfs/dbraw/zinc/44/68/88/970446888.db2.gz VQPPHUZBRDVNLV-PBWFPOADSA-N 2 1 239.407 1.671 20 0 BDADMP C[C@@H](Cc1ccccc1F)N[C@@H]1C[C@H]1[NH3+] ZINC001255834596 970505470 /nfs/dbraw/zinc/50/54/70/970505470.db2.gz LSERHHFIACLODN-XXILOJSOSA-N 2 1 208.280 1.446 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400134199 970556100 /nfs/dbraw/zinc/55/61/00/970556100.db2.gz WNNQSYDYQQUPCO-TYUFSLCMSA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400134199 970556106 /nfs/dbraw/zinc/55/61/06/970556106.db2.gz WNNQSYDYQQUPCO-TYUFSLCMSA-N 2 1 208.349 1.846 20 0 BDADMP C[N@H+](CCCCCC[NH3+])Cc1cnns1 ZINC000400269845 970563091 /nfs/dbraw/zinc/56/30/91/970563091.db2.gz ROORTQMFOHVDJP-UHFFFAOYSA-N 2 1 228.365 1.489 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1cnns1 ZINC000400269845 970563096 /nfs/dbraw/zinc/56/30/96/970563096.db2.gz ROORTQMFOHVDJP-UHFFFAOYSA-N 2 1 228.365 1.489 20 0 BDADMP CC[NH+](CC)CC[C@H](C)NC[C@H]1CCC[N@H+]1C ZINC001255943260 970577417 /nfs/dbraw/zinc/57/74/17/970577417.db2.gz LCCAJLGMOOFVMO-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CC(C2COC2)C1 ZINC001255955170 970588434 /nfs/dbraw/zinc/58/84/34/970588434.db2.gz PLBBOKLGZNNSDX-GFCCVEGCSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](CC)CC[C@H](C)N1CC[N@H+]2CC[C@@H]2C1 ZINC001255969190 970609569 /nfs/dbraw/zinc/60/95/69/970609569.db2.gz VADOQSIBELEFPO-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001170235517 970609681 /nfs/dbraw/zinc/60/96/81/970609681.db2.gz MZYBPFXTWKDSOJ-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCO1 ZINC001170235517 970609684 /nfs/dbraw/zinc/60/96/84/970609684.db2.gz MZYBPFXTWKDSOJ-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCO1 ZINC001170235517 970609686 /nfs/dbraw/zinc/60/96/86/970609686.db2.gz MZYBPFXTWKDSOJ-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000400622458 970611525 /nfs/dbraw/zinc/61/15/25/970611525.db2.gz LLBRTOOQZVSZDB-HIFPTAJRSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)[N@H+](CCC[NH3+])C1CCN(C2CC2)CC1 ZINC001256067420 970633284 /nfs/dbraw/zinc/63/32/84/970633284.db2.gz ODTRGFNXOAUKGJ-UHFFFAOYSA-N 2 1 239.407 1.672 20 0 BDADMP C[C@@H]1CN(C2CC[NH+](C3CC3)CC2)CC[N@H+]1C ZINC001256080572 970649118 /nfs/dbraw/zinc/64/91/18/970649118.db2.gz YXSCLKUHYQNBNA-GFCCVEGCSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@]1(O)CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256078971 970651479 /nfs/dbraw/zinc/65/14/79/970651479.db2.gz HLCGSDDNIRXCFS-AWEZNQCLSA-N 2 1 238.375 1.460 20 0 BDADMP C[C@]1(O)CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256078971 970651489 /nfs/dbraw/zinc/65/14/89/970651489.db2.gz HLCGSDDNIRXCFS-AWEZNQCLSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CC(C)(C)O2)CC1 ZINC001256196669 970688849 /nfs/dbraw/zinc/68/88/49/970688849.db2.gz UMHLHQULFGINAI-LLVKDONJSA-N 2 1 212.337 1.238 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2cccc(CCO)c2)CC1 ZINC001256198267 970698015 /nfs/dbraw/zinc/69/80/15/970698015.db2.gz HSGXDTSDMWZVKV-UHFFFAOYSA-N 2 1 248.370 1.405 20 0 BDADMP C[NH+]1CCC([N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC1 ZINC001256204586 970701862 /nfs/dbraw/zinc/70/18/62/970701862.db2.gz TVLGKDPIOXTBLL-MNOVXSKESA-N 2 1 246.301 1.047 20 0 BDADMP C[NH+]1CCC([N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC1 ZINC001256204586 970701864 /nfs/dbraw/zinc/70/18/64/970701864.db2.gz TVLGKDPIOXTBLL-MNOVXSKESA-N 2 1 246.301 1.047 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C[C@@]1(C)O ZINC001256202910 970702006 /nfs/dbraw/zinc/70/20/06/970702006.db2.gz NMRFOWMEBVMCAJ-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C[C@@]1(C)O ZINC001256202910 970702008 /nfs/dbraw/zinc/70/20/08/970702008.db2.gz NMRFOWMEBVMCAJ-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCC(C)C ZINC001256354338 970748609 /nfs/dbraw/zinc/74/86/09/970748609.db2.gz HZJPANFNUJURBY-NWDGAFQWSA-N 2 1 244.379 1.681 20 0 BDADMP CCCCC[C@H](CC)[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246542465 972586316 /nfs/dbraw/zinc/58/63/16/972586316.db2.gz QOHAMCMTZCJSJN-FRRDWIJNSA-N 2 1 228.380 1.739 20 0 BDADMP CCCCC[C@H](CC)[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246542465 972586327 /nfs/dbraw/zinc/58/63/27/972586327.db2.gz QOHAMCMTZCJSJN-FRRDWIJNSA-N 2 1 228.380 1.739 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CCO1 ZINC001246545317 972630704 /nfs/dbraw/zinc/63/07/04/972630704.db2.gz BFXKEIXTBAJZEP-FRRDWIJNSA-N 2 1 244.354 1.707 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545589 972633463 /nfs/dbraw/zinc/63/34/63/972633463.db2.gz BVEDIIXGIDYQHZ-WDEREUQCSA-N 2 1 218.316 1.174 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001246548088 972674005 /nfs/dbraw/zinc/67/40/05/972674005.db2.gz QPCPKPPTXRJPRR-KGLIPLIRSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001246548088 972674010 /nfs/dbraw/zinc/67/40/10/972674010.db2.gz QPCPKPPTXRJPRR-KGLIPLIRSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001246548090 972681773 /nfs/dbraw/zinc/68/17/73/972681773.db2.gz QPCPKPPTXRJPRR-ZIAGYGMSSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001246548090 972681776 /nfs/dbraw/zinc/68/17/76/972681776.db2.gz QPCPKPPTXRJPRR-ZIAGYGMSSA-N 2 1 237.391 1.284 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H]([NH3+])CC1)C2 ZINC001246550961 972725221 /nfs/dbraw/zinc/72/52/21/972725221.db2.gz ZMWNKTIDFVDZFG-FQUUOJAGSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]([NH3+])CC1)C2 ZINC001246550961 972725232 /nfs/dbraw/zinc/72/52/32/972725232.db2.gz ZMWNKTIDFVDZFG-FQUUOJAGSA-N 3 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]([NH3+])CC1)C2 ZINC001246550961 972725238 /nfs/dbraw/zinc/72/52/38/972725238.db2.gz ZMWNKTIDFVDZFG-FQUUOJAGSA-N 3 1 237.391 1.425 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]([NH3+])CC1)C2 ZINC001246550961 972725247 /nfs/dbraw/zinc/72/52/47/972725247.db2.gz ZMWNKTIDFVDZFG-FQUUOJAGSA-N 3 1 237.391 1.425 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]([NH3+])CC1)C2 ZINC001246550961 972725256 /nfs/dbraw/zinc/72/52/56/972725256.db2.gz ZMWNKTIDFVDZFG-FQUUOJAGSA-N 3 1 237.391 1.425 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550976 972725919 /nfs/dbraw/zinc/72/59/19/972725919.db2.gz ZOHNJRWPGCCYDB-OLZOCXBDSA-N 2 1 225.380 1.284 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550976 972725922 /nfs/dbraw/zinc/72/59/22/972725922.db2.gz ZOHNJRWPGCCYDB-OLZOCXBDSA-N 3 1 225.380 1.284 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246550976 972725931 /nfs/dbraw/zinc/72/59/31/972725931.db2.gz ZOHNJRWPGCCYDB-OLZOCXBDSA-N 3 1 225.380 1.284 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246553501 972750864 /nfs/dbraw/zinc/75/08/64/972750864.db2.gz YPFYJCYWAIVVFF-QWHCGFSZSA-N 2 1 243.370 1.234 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+](C2CC[NH2+]CC2)CC1 ZINC001246579312 972920649 /nfs/dbraw/zinc/92/06/49/972920649.db2.gz UIDUUCCHQIRPSG-ZDUSSCGKSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246585004 972970717 /nfs/dbraw/zinc/97/07/17/972970717.db2.gz DEKDITTXMZARRI-TXEJJXNPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C)N1C1CCC2(C[NH2+]C2)CC1 ZINC001246585004 972970729 /nfs/dbraw/zinc/97/07/29/972970729.db2.gz DEKDITTXMZARRI-TXEJJXNPSA-N 2 1 237.391 1.201 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637726 973056702 /nfs/dbraw/zinc/05/67/02/973056702.db2.gz JAMYRKQKNUTUBY-UMSGYPCISA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[C@@H](N2CC3(C2)CCC[NH2+]CC3)CC[NH2+]1 ZINC001246853839 973158877 /nfs/dbraw/zinc/15/88/77/973158877.db2.gz LRTGHJFATGHKJC-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC[NH2+]1 ZINC001246857755 973169308 /nfs/dbraw/zinc/16/93/08/973169308.db2.gz BRJPVOBUMMIXQE-MQYQWHSLSA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC[NH2+]1 ZINC001246857755 973169318 /nfs/dbraw/zinc/16/93/18/973169318.db2.gz BRJPVOBUMMIXQE-MQYQWHSLSA-N 3 1 237.391 1.186 20 0 BDADMP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC001328682420 973269751 /nfs/dbraw/zinc/26/97/51/973269751.db2.gz TZAWMYLTBRZDJZ-UWVGGRQHSA-N 2 1 236.315 1.299 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246981826 973748928 /nfs/dbraw/zinc/74/89/28/973748928.db2.gz SCOGNXVJJKQFLV-SRVKXCTJSA-N 2 1 216.369 1.859 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000234826164 973772766 /nfs/dbraw/zinc/77/27/66/973772766.db2.gz DUICZXQNVFNKIF-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP C1=C2NCC[N@@H+]([C@@H]3CCC[NH2+]CC3)[C@H]2CCC1 ZINC001246991790 973780980 /nfs/dbraw/zinc/78/09/80/973780980.db2.gz BXILAIFYMRCFRO-OCCSQVGLSA-N 2 1 235.375 1.470 20 0 BDADMP C1=C2NCC[N@H+]([C@@H]3CCC[NH2+]CC3)[C@H]2CCC1 ZINC001246991790 973780982 /nfs/dbraw/zinc/78/09/82/973780982.db2.gz BXILAIFYMRCFRO-OCCSQVGLSA-N 2 1 235.375 1.470 20 0 BDADMP CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000234937848 973786667 /nfs/dbraw/zinc/78/66/67/973786667.db2.gz MGXIMZNCKNZVES-OAHLLOKOSA-N 2 1 246.354 1.553 20 0 BDADMP CC(C)[NH+]1CC(OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224703487 973869810 /nfs/dbraw/zinc/86/98/10/973869810.db2.gz TZBNDPMZUJOVBP-GFCCVEGCSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)[NH+]1CC(OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224703487 973869817 /nfs/dbraw/zinc/86/98/17/973869817.db2.gz TZBNDPMZUJOVBP-GFCCVEGCSA-N 2 1 226.364 1.580 20 0 BDADMP C[N@H+]1CCC[C@H]1CO[C@H]1CCC[NH+](C)CC1 ZINC001224817986 973998129 /nfs/dbraw/zinc/99/81/29/973998129.db2.gz FRTDLNKHUCVUOY-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CCC[N@@H+](C)CC1 ZINC001224926847 974071729 /nfs/dbraw/zinc/07/17/29/974071729.db2.gz BFWBTDURLXJITJ-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP C[NH+](C)CCCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224992682 974124487 /nfs/dbraw/zinc/12/44/87/974124487.db2.gz RWGOLXDHUHWJER-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP CN(c1nc(NC2CC2)cc[nH+]1)C1CC[NH2+]CC1 ZINC000199028685 974187405 /nfs/dbraw/zinc/18/74/05/974187405.db2.gz ORBSXSPQAVLWRU-UHFFFAOYSA-N 2 1 247.346 1.239 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCC2)CC[C@H]1F ZINC001206153108 974238275 /nfs/dbraw/zinc/23/82/75/974238275.db2.gz BVQHGBBRKDDUIB-MNOVXSKESA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCC2)CC[C@H]1F ZINC001206153108 974238278 /nfs/dbraw/zinc/23/82/78/974238278.db2.gz BVQHGBBRKDDUIB-MNOVXSKESA-N 2 1 200.301 1.548 20 0 BDADMP CS[C@H](C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154432 974331112 /nfs/dbraw/zinc/33/11/12/974331112.db2.gz IZUCEUBRWCJOEC-VWYCJHECSA-N 2 1 234.384 1.889 20 0 BDADMP CS[C@H](C)CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154432 974331120 /nfs/dbraw/zinc/33/11/20/974331120.db2.gz IZUCEUBRWCJOEC-VWYCJHECSA-N 2 1 234.384 1.889 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)CC[C@H]1F ZINC001206154174 974320068 /nfs/dbraw/zinc/32/00/68/974320068.db2.gz HFWPBEUANYMFMO-CHWSQXEVSA-N 2 1 222.307 1.948 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)CC[C@H]1F ZINC001206154174 974320080 /nfs/dbraw/zinc/32/00/80/974320080.db2.gz HFWPBEUANYMFMO-CHWSQXEVSA-N 2 1 222.307 1.948 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCn1ccnc1)C2 ZINC001172101105 974333126 /nfs/dbraw/zinc/33/31/26/974333126.db2.gz WFSPITGPUZEOIY-ZSOGYDGISA-N 3 1 248.374 1.488 20 0 BDADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCn1ccnc1)C2 ZINC001172101105 974333130 /nfs/dbraw/zinc/33/31/30/974333130.db2.gz WFSPITGPUZEOIY-ZSOGYDGISA-N 3 1 248.374 1.488 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(O)CC1)C2 ZINC001172100323 974343466 /nfs/dbraw/zinc/34/34/66/974343466.db2.gz PKPIRORGHHLUEI-ZSBIGDGJSA-N 2 1 224.348 1.116 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOC1)C2 ZINC001172100953 974343890 /nfs/dbraw/zinc/34/38/90/974343890.db2.gz VBTQXVWHYLTFEP-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100832 974347395 /nfs/dbraw/zinc/34/73/95/974347395.db2.gz SOSOXBWQRFRLGA-CRWXNKLISA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100832 974347399 /nfs/dbraw/zinc/34/73/99/974347399.db2.gz SOSOXBWQRFRLGA-CRWXNKLISA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccnc1CC[NH3+])C2 ZINC001172100557 974347512 /nfs/dbraw/zinc/34/75/12/974347512.db2.gz FBCSCYBZPDUOJK-CLLJXQQHSA-N 2 1 248.374 1.572 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC(C)(C)O)C2 ZINC001172101854 974359567 /nfs/dbraw/zinc/35/95/67/974359567.db2.gz CFXMVEJAZQGAJJ-CLLJXQQHSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCn1cccn1)C2 ZINC001172102880 974362648 /nfs/dbraw/zinc/36/26/48/974362648.db2.gz QBNMEOSKTJLXDR-ZSOGYDGISA-N 2 1 248.374 1.488 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001172107939 974363921 /nfs/dbraw/zinc/36/39/21/974363921.db2.gz LZODCYMUYVRLNO-FQUUOJAGSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccnnc1)C2 ZINC001172107611 974367811 /nfs/dbraw/zinc/36/78/11/974367811.db2.gz IPZVVRHHXVZPQB-ZSOGYDGISA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccnc1C(N)=[NH2+])C2 ZINC001172108326 974376175 /nfs/dbraw/zinc/37/61/75/974376175.db2.gz UMHAEIFOWVEQJA-JGPRNRPPSA-N 2 1 247.346 1.355 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC001172114709 974384439 /nfs/dbraw/zinc/38/44/39/974384439.db2.gz SKEDYHATZOHEDC-PDWCTOEPSA-N 2 1 237.391 1.471 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](CO)C1)C2 ZINC001172120932 974387382 /nfs/dbraw/zinc/38/73/82/974387382.db2.gz HVWTWGGJDWBKEO-YIYPIFLZSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](CO)C1)C2 ZINC001172120932 974387395 /nfs/dbraw/zinc/38/73/95/974387395.db2.gz HVWTWGGJDWBKEO-YIYPIFLZSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](CO)C1)C2 ZINC001172120932 974387402 /nfs/dbraw/zinc/38/74/02/974387402.db2.gz HVWTWGGJDWBKEO-YIYPIFLZSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](CO)C1)C2 ZINC001172120932 974387413 /nfs/dbraw/zinc/38/74/13/974387413.db2.gz HVWTWGGJDWBKEO-YIYPIFLZSA-N 2 1 238.375 1.316 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172231013 974469924 /nfs/dbraw/zinc/46/99/24/974469924.db2.gz LPEAYTQPAFFQGS-YHWZYXNKSA-N 2 1 247.342 1.451 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172231013 974469926 /nfs/dbraw/zinc/46/99/26/974469926.db2.gz LPEAYTQPAFFQGS-YHWZYXNKSA-N 2 1 247.342 1.451 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001172314799 974522628 /nfs/dbraw/zinc/52/26/28/974522628.db2.gz DUQPYLNNCMNPOA-GRYCIOLGSA-N 2 1 214.353 1.613 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)[nH]1 ZINC001206163880 974513628 /nfs/dbraw/zinc/51/36/28/974513628.db2.gz HBCHXEUUOMYQEE-NEPJUHHUSA-N 2 1 239.338 1.893 20 0 BDADMP COCCC[NH+]1CCC([N@@H+](C)CCOC)CC1 ZINC001172248941 974513763 /nfs/dbraw/zinc/51/37/63/974513763.db2.gz CZBYILMBYGMQEX-UHFFFAOYSA-N 2 1 244.379 1.066 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001172314799 974522621 /nfs/dbraw/zinc/52/26/21/974522621.db2.gz DUQPYLNNCMNPOA-GRYCIOLGSA-N 2 1 214.353 1.613 20 0 BDADMP C[N@@H+](CC(=O)NCCC(C)(C)[NH3+])CC(C)(C)C ZINC001330953063 974541812 /nfs/dbraw/zinc/54/18/12/974541812.db2.gz XTSAZMISYNWLDE-UHFFFAOYSA-N 2 1 243.395 1.208 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284182 974545342 /nfs/dbraw/zinc/54/53/42/974545342.db2.gz PNSUXFSKWJGEJU-FRRDWIJNSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284182 974545345 /nfs/dbraw/zinc/54/53/45/974545345.db2.gz PNSUXFSKWJGEJU-FRRDWIJNSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284182 974545350 /nfs/dbraw/zinc/54/53/50/974545350.db2.gz PNSUXFSKWJGEJU-FRRDWIJNSA-N 2 1 238.375 1.437 20 0 BDADMP CCOCC[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001172423642 974700709 /nfs/dbraw/zinc/70/07/09/974700709.db2.gz NKPVIYCMSZQJKI-NSHDSACASA-N 2 1 225.336 1.762 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cccnc1C ZINC001331418561 974712956 /nfs/dbraw/zinc/71/29/56/974712956.db2.gz JWSXLSNCIJQALS-SNVBAGLBSA-N 2 1 207.321 1.478 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206165555 974875119 /nfs/dbraw/zinc/87/51/19/974875119.db2.gz OANWUIQGHXVKNB-NWDGAFQWSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206165555 974875121 /nfs/dbraw/zinc/87/51/21/974875121.db2.gz OANWUIQGHXVKNB-NWDGAFQWSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206167041 974884645 /nfs/dbraw/zinc/88/46/45/974884645.db2.gz WGPQJIXMRGWHRQ-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206167041 974884649 /nfs/dbraw/zinc/88/46/49/974884649.db2.gz WGPQJIXMRGWHRQ-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP OCC12CCC(CC1)[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC001331965606 974895741 /nfs/dbraw/zinc/89/57/41/974895741.db2.gz IWBKXVUCAMBRPF-HSBZDZAISA-N 2 1 238.375 1.365 20 0 BDADMP Nc1cc(O[C@H]2CCc3[nH+]ccn3C2)cc[nH+]1 ZINC001226653370 974999514 /nfs/dbraw/zinc/99/95/14/974999514.db2.gz ILTOHHBUPJLREI-JTQLQIEISA-N 2 1 230.271 1.254 20 0 BDADMP Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206188887 975019219 /nfs/dbraw/zinc/01/92/19/975019219.db2.gz WBOUXGPAPJXFQE-CHWSQXEVSA-N 2 1 237.322 1.530 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206188887 975019221 /nfs/dbraw/zinc/01/92/21/975019221.db2.gz WBOUXGPAPJXFQE-CHWSQXEVSA-N 2 1 237.322 1.530 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCO1 ZINC001173174045 975051607 /nfs/dbraw/zinc/05/16/07/975051607.db2.gz AGCLPAVFCHFLSG-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC001173168610 975061276 /nfs/dbraw/zinc/06/12/76/975061276.db2.gz QCSREBZNIGJZRA-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001173349617 975291740 /nfs/dbraw/zinc/29/17/40/975291740.db2.gz BYGRCRITFYARLG-CYBMUJFWSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001173352056 975301358 /nfs/dbraw/zinc/30/13/58/975301358.db2.gz DZVPLOLRTDVTKB-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001173352056 975301364 /nfs/dbraw/zinc/30/13/64/975301364.db2.gz DZVPLOLRTDVTKB-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001173352056 975301371 /nfs/dbraw/zinc/30/13/71/975301371.db2.gz DZVPLOLRTDVTKB-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001173352056 975301376 /nfs/dbraw/zinc/30/13/76/975301376.db2.gz DZVPLOLRTDVTKB-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC([NH+](C)C)CC2)C1 ZINC001173357598 975322741 /nfs/dbraw/zinc/32/27/41/975322741.db2.gz PLVOJAAFTNLIIV-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001173360199 975325147 /nfs/dbraw/zinc/32/51/47/975325147.db2.gz YJKBPRYRMFKHSL-GFCCVEGCSA-N 2 1 237.322 1.791 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC001173362427 975335410 /nfs/dbraw/zinc/33/54/10/975335410.db2.gz HBQUPSOPLBNRDG-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@@H+](C)C1CCN([C@H]2CC[NH+](CC)C2)CC1 ZINC001173375039 975363859 /nfs/dbraw/zinc/36/38/59/975363859.db2.gz QBJQHYJQKGMIGA-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](C)C1CCN([C@H]2CC[N@H+](CC)C2)CC1 ZINC001173375039 975363865 /nfs/dbraw/zinc/36/38/65/975363865.db2.gz QBJQHYJQKGMIGA-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](C)C1CCN([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001173375039 975363871 /nfs/dbraw/zinc/36/38/71/975363871.db2.gz QBJQHYJQKGMIGA-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001173444546 975384085 /nfs/dbraw/zinc/38/40/85/975384085.db2.gz KLAKAHNNFNSBNP-NWDGAFQWSA-N 2 1 244.379 1.635 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001333623374 975900459 /nfs/dbraw/zinc/90/04/59/975900459.db2.gz YCOZTDIFYGCANM-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC001334763079 976621015 /nfs/dbraw/zinc/62/10/15/976621015.db2.gz PUWJMNDETXUEBR-BBBLOLIVSA-N 2 1 200.351 1.019 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC001334763079 976621021 /nfs/dbraw/zinc/62/10/21/976621021.db2.gz PUWJMNDETXUEBR-BBBLOLIVSA-N 2 1 200.351 1.019 20 0 BDADMP C[NH+](C)CCc1ccc(O[C@H]2CC[N@@H+](C)C2)cc1 ZINC001229658738 976936070 /nfs/dbraw/zinc/93/60/70/976936070.db2.gz YLZFGPOKWPKESJ-HNNXBMFYSA-N 2 1 248.370 1.874 20 0 BDADMP OC1(C[NH2+][C@@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001335354189 976992470 /nfs/dbraw/zinc/99/24/70/976992470.db2.gz XQUSWWCSTIUBTL-GFCCVEGCSA-N 2 1 249.358 1.483 20 0 BDADMP C[N@@H+]1CCC[C@H](Oc2[nH+][nH]cc3nncc2-3)CC1 ZINC001230897127 977363756 /nfs/dbraw/zinc/36/37/56/977363756.db2.gz ZIDYUZXKXNPJJI-VIFPVBQESA-N 2 1 247.302 1.216 20 0 BDADMP C[N@H+]1CCC[C@H](Oc2[nH+][nH]cc3nncc2-3)CC1 ZINC001230897127 977363762 /nfs/dbraw/zinc/36/37/62/977363762.db2.gz ZIDYUZXKXNPJJI-VIFPVBQESA-N 2 1 247.302 1.216 20 0 BDADMP C[N@@H+]1CCC[C@@H](Oc2[nH+][nH]cc3nncc2-3)CC1 ZINC001230897126 977365786 /nfs/dbraw/zinc/36/57/86/977365786.db2.gz ZIDYUZXKXNPJJI-SECBINFHSA-N 2 1 247.302 1.216 20 0 BDADMP C[N@H+]1CCC[C@@H](Oc2[nH+][nH]cc3nncc2-3)CC1 ZINC001230897126 977365796 /nfs/dbraw/zinc/36/57/96/977365796.db2.gz ZIDYUZXKXNPJJI-SECBINFHSA-N 2 1 247.302 1.216 20 0 BDADMP C[N@H+]1CCC=C(Nc2cc[nH+]c3c2CCC3)C1 ZINC001175575213 977568154 /nfs/dbraw/zinc/56/81/54/977568154.db2.gz OQMIDDDEFYMGQH-UHFFFAOYSA-N 2 1 229.327 1.624 20 0 BDADMP Cc1[nH+]cc(NC2=CCC[N@@H+](C)C2)n1C ZINC001175577418 977585189 /nfs/dbraw/zinc/58/51/89/977585189.db2.gz SBKSEOHVSCMYNE-UHFFFAOYSA-N 2 1 206.293 1.360 20 0 BDADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc[nH+]cc1 ZINC001336392414 977654813 /nfs/dbraw/zinc/65/48/13/977654813.db2.gz RXLNWSFQGUPBKL-UHFFFAOYSA-N 2 1 249.358 1.629 20 0 BDADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1cc[nH+]cc1 ZINC001336392414 977654815 /nfs/dbraw/zinc/65/48/15/977654815.db2.gz RXLNWSFQGUPBKL-UHFFFAOYSA-N 2 1 249.358 1.629 20 0 BDADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]cc1 ZINC001336392959 977656256 /nfs/dbraw/zinc/65/62/56/977656256.db2.gz VTWJOPIDNYPGAJ-UHFFFAOYSA-N 2 1 205.305 1.612 20 0 BDADMP Nc1cn[nH+]cc1Nc1ccc(C[NH3+])cc1 ZINC001175966942 977835539 /nfs/dbraw/zinc/83/55/39/977835539.db2.gz VRUYDNJNWDEDDR-UHFFFAOYSA-N 2 1 215.260 1.261 20 0 BDADMP C[C@@]1(O)CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015044 977844457 /nfs/dbraw/zinc/84/44/57/977844457.db2.gz ZYIIOFHFLNYQLN-CQSZACIVSA-N 2 1 245.326 1.910 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3)CC[C@H]21 ZINC001336934047 978071020 /nfs/dbraw/zinc/07/10/20/978071020.db2.gz RGYHMPQPIGNKKY-DGCLKSJQSA-N 2 1 217.316 1.612 20 0 BDADMP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]cc3)C[C@H]2CC1 ZINC001277694799 978209105 /nfs/dbraw/zinc/20/91/05/978209105.db2.gz VZEHMPNVXQLDEP-BETUJISGSA-N 2 1 231.343 1.860 20 0 BDADMP CC1([NH+]2CCC2)CCN(c2cc[nH+]c(N)n2)CC1 ZINC001337252797 978244686 /nfs/dbraw/zinc/24/46/86/978244686.db2.gz IDMUEGWAOJZXSM-UHFFFAOYSA-N 2 1 247.346 1.123 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC001206293105 978296183 /nfs/dbraw/zinc/29/61/83/978296183.db2.gz GHMBPAIROJZNES-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001206295659 978299181 /nfs/dbraw/zinc/29/91/81/978299181.db2.gz MVGFZMGMTXCDMI-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc[nH]2)CC1 ZINC001206295843 978300966 /nfs/dbraw/zinc/30/09/66/978300966.db2.gz ODEUUJZNWMNENA-CYBMUJFWSA-N 2 1 221.348 1.966 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](OCCC[NH+](C)C)C1 ZINC001206297208 978312578 /nfs/dbraw/zinc/31/25/78/978312578.db2.gz SDKWWILNAVYMDB-ZDUSSCGKSA-N 2 1 228.380 1.828 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296870 978317162 /nfs/dbraw/zinc/31/71/62/978317162.db2.gz VGHPSRSBWPGTHJ-LBPRGKRZSA-N 2 1 213.369 1.047 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305410 978387511 /nfs/dbraw/zinc/38/75/11/978387511.db2.gz YNCIOUWWCGVFFZ-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001177542872 978392985 /nfs/dbraw/zinc/39/29/85/978392985.db2.gz VLMMCFUVXKJFNA-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP c1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)cc[nH+]1 ZINC001337709787 978466382 /nfs/dbraw/zinc/46/63/82/978466382.db2.gz PKELIXWEFZQXHZ-AWEZNQCLSA-N 2 1 231.343 1.932 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2)[C@@H](C)C[N@H+]1C ZINC001337708079 978469184 /nfs/dbraw/zinc/46/91/84/978469184.db2.gz CQXWDCDAUDBOMP-MNOVXSKESA-N 2 1 205.305 1.610 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001206337318 978601873 /nfs/dbraw/zinc/60/18/73/978601873.db2.gz SYGFTWYRBFFCPC-CHWSQXEVSA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001206337318 978601875 /nfs/dbraw/zinc/60/18/75/978601875.db2.gz SYGFTWYRBFFCPC-CHWSQXEVSA-N 2 1 244.354 1.566 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)nc(C)[nH+]1 ZINC001338295008 978655476 /nfs/dbraw/zinc/65/54/76/978655476.db2.gz AUULWQPFCRQZLQ-YNEHKIRRSA-N 2 1 246.358 1.846 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)nc(C)[nH+]1 ZINC001338295008 978655481 /nfs/dbraw/zinc/65/54/81/978655481.db2.gz AUULWQPFCRQZLQ-YNEHKIRRSA-N 2 1 246.358 1.846 20 0 BDADMP CCC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277851995 978825903 /nfs/dbraw/zinc/82/59/03/978825903.db2.gz OBUJKMZAFGSKSH-TXEJJXNPSA-N 2 1 224.348 1.239 20 0 BDADMP CCC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277851995 978825905 /nfs/dbraw/zinc/82/59/05/978825905.db2.gz OBUJKMZAFGSKSH-TXEJJXNPSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@@H]1C[C@H](F)CN(Cc2[nH+]cc3ccccn32)C1 ZINC001206414906 978847814 /nfs/dbraw/zinc/84/78/14/978847814.db2.gz RUNADKDPHFXILM-WDEREUQCSA-N 2 1 248.305 1.205 20 0 BDADMP [NH3+][C@@H]1C[C@H](F)CN(Cc2c[nH]c3ccncc23)C1 ZINC001206423914 978912615 /nfs/dbraw/zinc/91/26/15/978912615.db2.gz MHODKHMCUPJKLG-WDEREUQCSA-N 2 1 248.305 1.434 20 0 BDADMP [NH3+][C@@H]1C[C@H](F)CN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001206423914 978912621 /nfs/dbraw/zinc/91/26/21/978912621.db2.gz MHODKHMCUPJKLG-WDEREUQCSA-N 2 1 248.305 1.434 20 0 BDADMP CC(C)CCCN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234978600 978940078 /nfs/dbraw/zinc/94/00/78/978940078.db2.gz AXBIIGSHFZENKT-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP C1=CC[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235036888 978957857 /nfs/dbraw/zinc/95/78/57/978957857.db2.gz CITILGGTIOMYIS-FRRDWIJNSA-N 2 1 206.333 1.779 20 0 BDADMP C1=CC[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235036888 978957866 /nfs/dbraw/zinc/95/78/66/978957866.db2.gz CITILGGTIOMYIS-FRRDWIJNSA-N 2 1 206.333 1.779 20 0 BDADMP Cc1cc(NC(=O)N2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC001340062718 978963876 /nfs/dbraw/zinc/96/38/76/978963876.db2.gz HQKHEAJWFMWHNF-NSHDSACASA-N 2 1 248.330 1.075 20 0 BDADMP C[C@@H]1CC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001235073811 978970470 /nfs/dbraw/zinc/97/04/70/978970470.db2.gz XMPUGZMZCVSXPY-HBJVGIJOSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001235073811 978970472 /nfs/dbraw/zinc/97/04/72/978970472.db2.gz XMPUGZMZCVSXPY-HBJVGIJOSA-N 2 1 238.375 1.626 20 0 BDADMP COCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235122717 978977921 /nfs/dbraw/zinc/97/79/21/978977921.db2.gz IIDQUBKITKDFIZ-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP COCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235122717 978977928 /nfs/dbraw/zinc/97/79/28/978977928.db2.gz IIDQUBKITKDFIZ-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235441468 979044219 /nfs/dbraw/zinc/04/42/19/979044219.db2.gz NSCMJXJDOUMCCL-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1CC1(C)CC[NH2+]CC1 ZINC001235441468 979044224 /nfs/dbraw/zinc/04/42/24/979044224.db2.gz NSCMJXJDOUMCCL-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1c[nH+]c2n1CCC21CCN(C[C@@H](C)[NH3+])CC1 ZINC001235544870 979084306 /nfs/dbraw/zinc/08/43/06/979084306.db2.gz LLGCFWFSKNLHJB-LLVKDONJSA-N 2 1 248.374 1.276 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2ncccc2C1 ZINC001235754861 979139392 /nfs/dbraw/zinc/13/93/92/979139392.db2.gz VRZVWHUBAICANX-UHFFFAOYSA-N 2 1 205.305 1.179 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H](C(F)F)C1 ZINC001235811618 979158096 /nfs/dbraw/zinc/15/80/96/979158096.db2.gz SLIHKLVFWAVCEQ-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCCC(=O)c1cccnc1 ZINC001235841010 979168207 /nfs/dbraw/zinc/16/82/07/979168207.db2.gz RMVGHHOVURBJKK-UHFFFAOYSA-N 2 1 249.358 1.715 20 0 BDADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235891224 979183994 /nfs/dbraw/zinc/18/39/94/979183994.db2.gz DJUYLAJKQIFKCX-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H]([NH3+])CN1CC[C@@H]1CCC[NH2+]C1 ZINC001235891224 979183997 /nfs/dbraw/zinc/18/39/97/979183997.db2.gz DJUYLAJKQIFKCX-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H](N)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235891224 979184002 /nfs/dbraw/zinc/18/40/02/979184002.db2.gz DJUYLAJKQIFKCX-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+](C[C@H](N)Cc1ccccc1)CC1COC1 ZINC001235900509 979194335 /nfs/dbraw/zinc/19/43/35/979194335.db2.gz FINTVIFIDVHQJS-CQSZACIVSA-N 2 1 234.343 1.135 20 0 BDADMP CC1(C)NC[C@@H](C[N@H+]2C[C@H]3CC[C@@H]2C3)O1 ZINC001235933666 979214900 /nfs/dbraw/zinc/21/49/00/979214900.db2.gz JOCHDAGRBGTPPI-AXFHLTTASA-N 2 1 210.321 1.195 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@H]3CC[C@@H]2C3)O1 ZINC001235933666 979214908 /nfs/dbraw/zinc/21/49/08/979214908.db2.gz JOCHDAGRBGTPPI-AXFHLTTASA-N 2 1 210.321 1.195 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@H]3CC[C@@H]2C3)O1 ZINC001235933666 979214915 /nfs/dbraw/zinc/21/49/15/979214915.db2.gz JOCHDAGRBGTPPI-AXFHLTTASA-N 2 1 210.321 1.195 20 0 BDADMP COC(=O)C[N@@H+](CCCC[NH3+])C1CCCC1 ZINC001235964141 979231749 /nfs/dbraw/zinc/23/17/49/979231749.db2.gz ZLSFTGCGUWHJQL-UHFFFAOYSA-N 2 1 228.336 1.143 20 0 BDADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1CC[NH3+] ZINC001235973216 979245547 /nfs/dbraw/zinc/24/55/47/979245547.db2.gz LUQMQMKTPQITKH-QWHCGFSZSA-N 2 1 225.380 1.284 20 0 BDADMP Cc1cccc(CC[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235978277 979246055 /nfs/dbraw/zinc/24/60/55/979246055.db2.gz KCDSSARHYBBPIT-GJZGRUSLSA-N 2 1 230.355 1.961 20 0 BDADMP Cc1cccc(CC[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235978277 979246066 /nfs/dbraw/zinc/24/60/66/979246066.db2.gz KCDSSARHYBBPIT-GJZGRUSLSA-N 2 1 230.355 1.961 20 0 BDADMP C[C@@H]1CC(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C[C@@H](C)O1 ZINC001235978895 979253144 /nfs/dbraw/zinc/25/31/44/979253144.db2.gz LOVZQEMIDWUCOT-RFHZTLPTSA-N 2 1 238.375 1.613 20 0 BDADMP [NH3+][C@@]12CC[C@H]1CN(Cc1[nH+]cc3ccccn31)C2 ZINC001235982931 979265450 /nfs/dbraw/zinc/26/54/50/979265450.db2.gz XVOGGXFPSBWJKD-SMDDNHRTSA-N 2 1 242.326 1.257 20 0 BDADMP CC[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCCNC1 ZINC001236007348 979298008 /nfs/dbraw/zinc/29/80/08/979298008.db2.gz YJCRJEVGBCRMHV-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCNC1 ZINC001236007348 979298031 /nfs/dbraw/zinc/29/80/31/979298031.db2.gz YJCRJEVGBCRMHV-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314242 979526400 /nfs/dbraw/zinc/52/64/00/979526400.db2.gz ABLUIBGTWALSNM-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP c1nc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cs1 ZINC001236316524 979528450 /nfs/dbraw/zinc/52/84/50/979528450.db2.gz UCUJTTJAYXEMFA-PHIMTYICSA-N 2 1 237.372 1.575 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236320179 979534174 /nfs/dbraw/zinc/53/41/74/979534174.db2.gz KSJWGEPSADEWSB-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236416705 979593206 /nfs/dbraw/zinc/59/32/06/979593206.db2.gz VVHIJUOUHWISHR-JHJVBQTASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCCN1CC[C@H]1CCC[NH2+]C1 ZINC001236416705 979593210 /nfs/dbraw/zinc/59/32/10/979593210.db2.gz VVHIJUOUHWISHR-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H](N)CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236416705 979593216 /nfs/dbraw/zinc/59/32/16/979593216.db2.gz VVHIJUOUHWISHR-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H](N)CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236416705 979593223 /nfs/dbraw/zinc/59/32/23/979593223.db2.gz VVHIJUOUHWISHR-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCO)CC2CCC2)CC1 ZINC001236541606 979625122 /nfs/dbraw/zinc/62/51/22/979625122.db2.gz NGTBXADKEBXVAG-HDJSIYSDSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CN(Cc2c[nH]c3cc[nH+]cc23)C[C@H](C)[NH2+]1 ZINC001236575908 979646927 /nfs/dbraw/zinc/64/69/27/979646927.db2.gz BRAZNJAIDIVMSM-PHIMTYICSA-N 2 1 244.342 1.745 20 0 BDADMP NCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681568 979694140 /nfs/dbraw/zinc/69/41/40/979694140.db2.gz FOJYMWLMGMZUES-SHTZXODSSA-N 2 1 247.386 1.717 20 0 BDADMP [NH3+]CCN(Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681568 979694153 /nfs/dbraw/zinc/69/41/53/979694153.db2.gz FOJYMWLMGMZUES-SHTZXODSSA-N 2 1 247.386 1.717 20 0 BDADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681568 979694161 /nfs/dbraw/zinc/69/41/61/979694161.db2.gz FOJYMWLMGMZUES-SHTZXODSSA-N 3 1 247.386 1.717 20 0 BDADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681568 979694167 /nfs/dbraw/zinc/69/41/67/979694167.db2.gz FOJYMWLMGMZUES-SHTZXODSSA-N 3 1 247.386 1.717 20 0 BDADMP CC1(C[N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]CC1 ZINC001205255815 979738932 /nfs/dbraw/zinc/73/89/32/979738932.db2.gz LGTIDBYKCAYQIN-AWEZNQCLSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCC[NH2+]3)C[C@H]12 ZINC001236821653 979747729 /nfs/dbraw/zinc/74/77/29/979747729.db2.gz WARWIKMLZKFUFV-ZOBORPQBSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2CN(CC[C@@H]3CCCC[NH2+]3)C[C@H]12 ZINC001236821653 979747734 /nfs/dbraw/zinc/74/77/34/979747734.db2.gz WARWIKMLZKFUFV-ZOBORPQBSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC001205257427 979759388 /nfs/dbraw/zinc/75/93/88/979759388.db2.gz VMRKGEUVDZLJHN-OLZOCXBDSA-N 2 1 224.348 1.882 20 0 BDADMP C[C@@H]1C(=O)CC[N@@H+](CCCC[NH3+])C12CCCC2 ZINC001237190731 979843316 /nfs/dbraw/zinc/84/33/16/979843316.db2.gz IBVSVHRIDXAADU-GFCCVEGCSA-N 2 1 238.375 1.949 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237221885 979852374 /nfs/dbraw/zinc/85/23/74/979852374.db2.gz YLCZKNNAWVAHHF-CQSZACIVSA-N 2 1 237.391 1.847 20 0 BDADMP [NH3+]C12CC(CC[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)(C1)C2 ZINC001237375211 979879238 /nfs/dbraw/zinc/87/92/38/979879238.db2.gz LLPQJHRUFKJMAP-LMRVLLHPSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+]C12CC(CC[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)(C1)C2 ZINC001237375211 979879245 /nfs/dbraw/zinc/87/92/45/979879245.db2.gz LLPQJHRUFKJMAP-LMRVLLHPSA-N 3 1 249.402 1.332 20 0 BDADMP O[C@@H]1CCCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104217 980150485 /nfs/dbraw/zinc/15/04/85/980150485.db2.gz SWJWGEAKRSSQQB-CQSZACIVSA-N 2 1 245.326 1.681 20 0 BDADMP O[C@@H]1CCCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104217 980150492 /nfs/dbraw/zinc/15/04/92/980150492.db2.gz SWJWGEAKRSSQQB-CQSZACIVSA-N 2 1 245.326 1.681 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001345101198 980547766 /nfs/dbraw/zinc/54/77/66/980547766.db2.gz ZYINLCTURRVEFK-LLVKDONJSA-N 2 1 238.379 1.726 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@](C)(CO)C2)CC[NH2+]1 ZINC001345100908 980548306 /nfs/dbraw/zinc/54/83/06/980548306.db2.gz VVRWOIDPGFLETD-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH2+]Cc1cccc(CC[NH+]2CCOCC2)c1 ZINC001250278287 980651816 /nfs/dbraw/zinc/65/18/16/980651816.db2.gz ZPCGMTJERRKLDT-UHFFFAOYSA-N 2 1 234.343 1.281 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)co1 ZINC001205545206 980939372 /nfs/dbraw/zinc/93/93/72/980939372.db2.gz AMASYZDLXIVWDI-LBPRGKRZSA-N 2 1 241.310 1.636 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)[C@@H](C)O)C1 ZINC001191391030 981024031 /nfs/dbraw/zinc/02/40/31/981024031.db2.gz UCDCSBCSRFSZNJ-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)O)C1 ZINC001191391030 981024038 /nfs/dbraw/zinc/02/40/38/981024038.db2.gz UCDCSBCSRFSZNJ-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)O)C1 ZINC001191391030 981024043 /nfs/dbraw/zinc/02/40/43/981024043.db2.gz UCDCSBCSRFSZNJ-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncc[nH]2)CC[C@H]1C[NH3+] ZINC001205603599 981173744 /nfs/dbraw/zinc/17/37/44/981173744.db2.gz QURKBUDVWYEXCF-QWRGUYRKSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnc2)CC[C@@H]1C[NH3+] ZINC001205604825 981182198 /nfs/dbraw/zinc/18/21/98/981182198.db2.gz XVNUKWPSMGXEBD-TZMCWYRMSA-N 2 1 233.359 1.888 20 0 BDADMP Cc1[nH+]ccn1-c1ccc(C2=CC[NH2+]CC2)nn1 ZINC001240466884 981395446 /nfs/dbraw/zinc/39/54/46/981395446.db2.gz XMMZHRBCTAGUFV-UHFFFAOYSA-N 2 1 241.298 1.347 20 0 BDADMP OC1(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CCCCC1 ZINC001580879419 981670955 /nfs/dbraw/zinc/67/09/55/981670955.db2.gz AECABGOZSQQPTF-OLZOCXBDSA-N 2 1 238.375 1.223 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001580880835 981688347 /nfs/dbraw/zinc/68/83/47/981688347.db2.gz ZEHCYYTULGXKEF-DGAVXFQQSA-N 2 1 238.375 1.412 20 0 BDADMP Cc1cnccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673868 981862162 /nfs/dbraw/zinc/86/21/62/981862162.db2.gz VBNOFRAAVXHIQI-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1cc(NCC[C@H]2CCC[NH2+]2)nc(C)[nH+]1 ZINC000159281425 981957049 /nfs/dbraw/zinc/95/70/49/981957049.db2.gz FYASUJUXLDCFGK-LLVKDONJSA-N 2 1 220.320 1.647 20 0 BDADMP Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)nc1 ZINC001205681660 981981734 /nfs/dbraw/zinc/98/17/34/981981734.db2.gz LSQSJMPXIJLVBI-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)nc1 ZINC001205681660 981981753 /nfs/dbraw/zinc/98/17/53/981981753.db2.gz LSQSJMPXIJLVBI-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP C[NH+](C)Cc1cncc(C2=CC[N@@H+](C)CC2)c1 ZINC001241329913 982490549 /nfs/dbraw/zinc/49/05/49/982490549.db2.gz FDUHQAFAISGOEX-UHFFFAOYSA-N 2 1 231.343 1.862 20 0 BDADMP C[C@H]([NH3+])c1ccc(C2=CC[N@@H+](C)CC2)cn1 ZINC001241331793 982497193 /nfs/dbraw/zinc/49/71/93/982497193.db2.gz DDTQKETTWAZDEZ-JTQLQIEISA-N 2 1 217.316 1.820 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001205807119 982574451 /nfs/dbraw/zinc/57/44/51/982574451.db2.gz YAVAFCARIQLJSA-TZMCWYRMSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001199842934 983025825 /nfs/dbraw/zinc/02/58/25/983025825.db2.gz JNRWPRJZKMAPQZ-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)nc(N)[nH+]1 ZINC001354393916 983296333 /nfs/dbraw/zinc/29/63/33/983296333.db2.gz DCBQEIRGAURPRI-OUAUKWLOSA-N 2 1 247.346 1.119 20 0 BDADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001355718152 983535817 /nfs/dbraw/zinc/53/58/17/983535817.db2.gz DTLAAWQWSNQCIM-ZDUSSCGKSA-N 2 1 247.342 1.568 20 0 BDADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccccc1C[NH3+] ZINC001355718152 983535825 /nfs/dbraw/zinc/53/58/25/983535825.db2.gz DTLAAWQWSNQCIM-ZDUSSCGKSA-N 2 1 247.342 1.568 20 0 BDADMP C[C@@H](CC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CC(C)(C)C ZINC001205947034 983672304 /nfs/dbraw/zinc/67/23/04/983672304.db2.gz VIFHVUBXXWDKEQ-YNEHKIRRSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC001573506885 984032410 /nfs/dbraw/zinc/03/24/10/984032410.db2.gz VAIIWSHPKPHTFG-HZSPNIEDSA-N 2 1 240.391 1.922 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001202597818 984102545 /nfs/dbraw/zinc/10/25/45/984102545.db2.gz GOJDVIFBKIOUSD-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H](CC1CC1)[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001575934059 984137572 /nfs/dbraw/zinc/13/75/72/984137572.db2.gz MKWBNEPPHJGWNH-CMPLNLGQSA-N 2 1 212.337 1.143 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC([NH3+])CC3)[C@@H]2C1 ZINC001578520744 984214844 /nfs/dbraw/zinc/21/48/44/984214844.db2.gz GEPUEUARRLXNOD-YOMYCBHVSA-N 3 1 237.391 1.186 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)C1CCCCC1 ZINC001580229857 984437023 /nfs/dbraw/zinc/43/70/23/984437023.db2.gz UQMNLTAJXXEHAP-ZDUSSCGKSA-N 2 1 249.358 1.784 20 0 BDADMP CC[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001275086409 984479573 /nfs/dbraw/zinc/47/95/73/984479573.db2.gz LDPGVHVNXARPOZ-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP CC[N@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001275086409 984479590 /nfs/dbraw/zinc/47/95/90/984479590.db2.gz LDPGVHVNXARPOZ-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP CC[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001275086409 984479612 /nfs/dbraw/zinc/47/96/12/984479612.db2.gz LDPGVHVNXARPOZ-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP CC[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001275086409 984479627 /nfs/dbraw/zinc/47/96/27/984479627.db2.gz LDPGVHVNXARPOZ-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP CC[NH+]1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001275086409 984479639 /nfs/dbraw/zinc/47/96/39/984479639.db2.gz LDPGVHVNXARPOZ-OKILXGFUSA-N 2 1 239.407 1.212 20 0 BDADMP O[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC001580879709 984602167 /nfs/dbraw/zinc/60/21/67/984602167.db2.gz CXELTZKZHJHUDA-HUUCEWRRSA-N 2 1 246.354 1.376 20 0 BDADMP O[C@H]1CCCC[C@H]1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001580885595 984616830 /nfs/dbraw/zinc/61/68/30/984616830.db2.gz GGQXIBPKICUHGB-XQQFMLRXSA-N 2 1 226.364 1.269 20 0 BDADMP CC[N@@H+](CC[C@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC001577713286 984648410 /nfs/dbraw/zinc/64/84/10/984648410.db2.gz WCSDVYGIFAICMT-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP CC[NH+]1CCC(CN[C@H]2C[NH2+]CC2(C)C)CC1 ZINC001577763889 984740433 /nfs/dbraw/zinc/74/04/33/984740433.db2.gz LUSFEPPCOMPJDF-ZDUSSCGKSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001256732137 984802436 /nfs/dbraw/zinc/80/24/36/984802436.db2.gz BFMWFWXUBHLNNW-NFAWXSAZSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001256732137 984802439 /nfs/dbraw/zinc/80/24/39/984802439.db2.gz BFMWFWXUBHLNNW-NFAWXSAZSA-N 2 1 247.386 1.942 20 0 BDADMP CC[NH2+]C1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC001577821223 984803434 /nfs/dbraw/zinc/80/34/34/984803434.db2.gz CRPHFRQGNWVLGH-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)C1(C)CC([NH2+]C[C@@H]([NH3+])CC)C1 ZINC001577925372 984822581 /nfs/dbraw/zinc/82/25/81/984822581.db2.gz HKSXGQRHSVYIMP-BMQDGWLCSA-N 2 1 228.336 1.045 20 0 BDADMP CCOC(=O)[C@H]1CC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001577936062 984822889 /nfs/dbraw/zinc/82/28/89/984822889.db2.gz NAPBDPUWCGFPQO-RYUDHWBXSA-N 2 1 242.363 1.102 20 0 BDADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)co1 ZINC001276264452 984837819 /nfs/dbraw/zinc/83/78/19/984837819.db2.gz DFHOXZMJOUVVAX-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)co1 ZINC001276264452 984837821 /nfs/dbraw/zinc/83/78/21/984837821.db2.gz DFHOXZMJOUVVAX-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)co1 ZINC001276264452 984837825 /nfs/dbraw/zinc/83/78/25/984837825.db2.gz DFHOXZMJOUVVAX-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC001578241892 984893803 /nfs/dbraw/zinc/89/38/03/984893803.db2.gz QZRDXIKTXBVWHA-CSYMLDBXSA-N 2 1 212.337 1.282 20 0 BDADMP CCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001578263501 984906456 /nfs/dbraw/zinc/90/64/56/984906456.db2.gz JSMHPGHMSAOBGL-IUODEOHRSA-N 2 1 248.370 1.624 20 0 BDADMP CCc1ccc2c(c1)C[N@H+](C[C@](C)(O)C[NH3+])CC2 ZINC001578263788 984911603 /nfs/dbraw/zinc/91/16/03/984911603.db2.gz YCIHNUDXIBYWCV-OAHLLOKOSA-N 2 1 248.370 1.317 20 0 BDADMP CCn1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC001578353645 984993144 /nfs/dbraw/zinc/99/31/44/984993144.db2.gz NWRKSAPRNBTRLP-NSHDSACASA-N 2 1 222.336 1.074 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000685995344 985033031 /nfs/dbraw/zinc/03/30/31/985033031.db2.gz VZSIVTSAMSEEKP-MNOVXSKESA-N 2 1 248.317 1.030 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000685995344 985033040 /nfs/dbraw/zinc/03/30/40/985033040.db2.gz VZSIVTSAMSEEKP-MNOVXSKESA-N 2 1 248.317 1.030 20 0 BDADMP C[N@@H+](CCN1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC001578472569 985106329 /nfs/dbraw/zinc/10/63/29/985106329.db2.gz BBLZALLUXIUYTR-GJZGRUSLSA-N 2 1 245.370 1.165 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC001578482611 985114081 /nfs/dbraw/zinc/11/40/81/985114081.db2.gz JWBRCKYYIJMMRP-SMDDNHRTSA-N 2 1 248.374 1.207 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CC(C)(C)OC1=O ZINC001578486377 985115466 /nfs/dbraw/zinc/11/54/66/985115466.db2.gz OMWLYXZRSZNBCG-AXFHLTTASA-N 2 1 240.347 1.140 20 0 BDADMP C[N@H+](Cc1ccnc(N)c1)CC1CC[NH2+]CC1 ZINC001578498344 985119752 /nfs/dbraw/zinc/11/97/52/985119752.db2.gz GMJKOINJJRWEKT-UHFFFAOYSA-N 2 1 234.347 1.095 20 0 BDADMP C[N@H+](Cc1cccnc1N)CC1CC[NH2+]CC1 ZINC001578497082 985122008 /nfs/dbraw/zinc/12/20/08/985122008.db2.gz IOUSJARZYOXUTA-UHFFFAOYSA-N 2 1 234.347 1.095 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](NCC[NH2+]C(C)(C)C)[C@@H]2C1 ZINC001578520765 985140792 /nfs/dbraw/zinc/14/07/92/985140792.db2.gz GHUVHRXMYAXNRS-YNEHKIRRSA-N 2 1 239.407 1.304 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578528640 985156043 /nfs/dbraw/zinc/15/60/43/985156043.db2.gz IYLVNWJXJSLCAD-NELGMTEASA-N 3 1 237.391 1.188 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@]3(C)CCC[NH2+]C3)C[C@@H]21 ZINC001578541034 985171174 /nfs/dbraw/zinc/17/11/74/985171174.db2.gz MEQQQSKDECTOBU-HZSPNIEDSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)C[C@H]1CCCC[C@@H]1C ZINC001578652177 985257724 /nfs/dbraw/zinc/25/77/24/985257724.db2.gz FWYVCEYMVVEWSW-XQQFMLRXSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC12CC(C)(C1)OC2 ZINC001578687514 985293219 /nfs/dbraw/zinc/29/32/19/985293219.db2.gz UFOKZUGBRSHWAI-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP CNc1ccccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC001578764500 985325006 /nfs/dbraw/zinc/32/50/06/985325006.db2.gz XZNPIWNURTWQBK-GFCCVEGCSA-N 2 1 221.348 1.801 20 0 BDADMP COC(=O)CC[N@@H+](CCC1C[NH2+]C1)CC(C)C ZINC001578804920 985376054 /nfs/dbraw/zinc/37/60/54/985376054.db2.gz NLMAFAGPDPCLDQ-UHFFFAOYSA-N 2 1 242.363 1.117 20 0 BDADMP O[C@H](C[N@@H+]1CCC12CCCC2)C[NH+]1CCCC1 ZINC000687975896 985443108 /nfs/dbraw/zinc/44/31/08/985443108.db2.gz CFYXCOFGGDRSGG-ZDUSSCGKSA-N 2 1 238.375 1.462 20 0 BDADMP O[C@H](C[N@H+]1CCC12CCCC2)C[NH+]1CCCC1 ZINC000687975896 985443129 /nfs/dbraw/zinc/44/31/29/985443129.db2.gz CFYXCOFGGDRSGG-ZDUSSCGKSA-N 2 1 238.375 1.462 20 0 BDADMP C[C@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000688003948 985468774 /nfs/dbraw/zinc/46/87/74/985468774.db2.gz AVEWWLGKHXSYJY-OFIBSPLFSA-N 2 1 224.348 1.236 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000688021083 985491258 /nfs/dbraw/zinc/49/12/58/985491258.db2.gz INJUVQXKYZHSLN-WYUUTHIRSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000688021083 985491276 /nfs/dbraw/zinc/49/12/76/985491276.db2.gz INJUVQXKYZHSLN-WYUUTHIRSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000688028881 985503120 /nfs/dbraw/zinc/50/31/20/985503120.db2.gz IMWBYNBRCGOEPN-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@@H]2C)C1 ZINC000688030322 985506533 /nfs/dbraw/zinc/50/65/33/985506533.db2.gz QXDIHBQLQROKGR-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)CCC1 ZINC001578924430 985523639 /nfs/dbraw/zinc/52/36/39/985523639.db2.gz PGBKCWMYLUNXBW-GHMZBOCLSA-N 2 1 212.337 1.286 20 0 BDADMP COC1(C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCC1 ZINC001578931003 985532778 /nfs/dbraw/zinc/53/27/78/985532778.db2.gz YJHDAOAIROVRMS-VWYCJHECSA-N 2 1 210.321 1.038 20 0 BDADMP COC1(C[NH2+][C@H]2C[NH2+]CC2(C)C)CCC1 ZINC001578930218 985537868 /nfs/dbraw/zinc/53/78/68/985537868.db2.gz QKYVBAYYWVWXHR-JTQLQIEISA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000688054357 985539843 /nfs/dbraw/zinc/53/98/43/985539843.db2.gz WBQMQEBTCAEGJQ-ZWNOBZJWSA-N 2 1 224.348 1.238 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC001578961777 985558213 /nfs/dbraw/zinc/55/82/13/985558213.db2.gz SGLCQKZDAOTLPA-FRRDWIJNSA-N 2 1 228.380 1.635 20 0 BDADMP COC/C(C)=C\C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578954479 985567549 /nfs/dbraw/zinc/56/75/49/985567549.db2.gz PKMOLOZUFHBMNK-GKADRNHJSA-N 2 1 224.348 1.120 20 0 BDADMP COC/C(C)=C\C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578954479 985567580 /nfs/dbraw/zinc/56/75/80/985567580.db2.gz PKMOLOZUFHBMNK-GKADRNHJSA-N 2 1 224.348 1.120 20 0 BDADMP COC[C@H](C)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC001578957387 985579552 /nfs/dbraw/zinc/57/95/52/985579552.db2.gz OFBUOCWXYIJMAY-GHMZBOCLSA-N 2 1 202.342 1.232 20 0 BDADMP c1cc(C2=C[NH2+]CCC2)nc2c1CC[NH2+]C2 ZINC001243949771 985641781 /nfs/dbraw/zinc/64/17/81/985641781.db2.gz QRIBFGBXYGYTJL-UHFFFAOYSA-N 2 1 215.300 1.452 20 0 BDADMP COCC[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001579000029 985643742 /nfs/dbraw/zinc/64/37/42/985643742.db2.gz NCZCENCHHOATNN-UKRRQHHQSA-N 2 1 248.370 1.970 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001579000029 985643750 /nfs/dbraw/zinc/64/37/50/985643750.db2.gz NCZCENCHHOATNN-UKRRQHHQSA-N 2 1 248.370 1.970 20 0 BDADMP COCCc1cc[nH+]c(NC[C@]2(C)CC[NH2+]C2)c1 ZINC001579068464 985689918 /nfs/dbraw/zinc/68/99/18/985689918.db2.gz SRPZLVSHMKRTIU-CQSZACIVSA-N 2 1 249.358 1.682 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)C[C@@H]2CC[NH2+]2)c1C ZINC001579134299 985809750 /nfs/dbraw/zinc/80/97/50/985809750.db2.gz FKRPDLGNNAIADQ-LBPRGKRZSA-N 2 1 249.358 1.501 20 0 BDADMP COc1c(C)c[nH+]c(CN2CCC23C[NH2+]C3)c1C ZINC001579134217 985811176 /nfs/dbraw/zinc/81/11/76/985811176.db2.gz DXEPJMLFSIMREV-UHFFFAOYSA-N 2 1 247.342 1.255 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)o1 ZINC001579213325 985819920 /nfs/dbraw/zinc/81/99/20/985819920.db2.gz IKOCJYUFCCIWSC-MNOVXSKESA-N 2 1 236.315 1.330 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)o1 ZINC001579213325 985819924 /nfs/dbraw/zinc/81/99/24/985819924.db2.gz IKOCJYUFCCIWSC-MNOVXSKESA-N 2 1 236.315 1.330 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(CC[NH+]3CCCC3)C2)C1 ZINC000795335582 985820468 /nfs/dbraw/zinc/82/04/68/985820468.db2.gz QJMKJQWYNKHWOI-CQSZACIVSA-N 2 1 237.391 1.110 20 0 BDADMP COc1cccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC001579274040 985827940 /nfs/dbraw/zinc/82/79/40/985827940.db2.gz KSXSVFUGSAKBCR-NHAGDIPZSA-N 2 1 246.354 1.653 20 0 BDADMP COc1cccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC001579274040 985827947 /nfs/dbraw/zinc/82/79/47/985827947.db2.gz KSXSVFUGSAKBCR-NHAGDIPZSA-N 2 1 246.354 1.653 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CC(C)(C)O)C1CC1 ZINC001579454598 985941565 /nfs/dbraw/zinc/94/15/65/985941565.db2.gz NQIOYECXDKJBGU-MNOVXSKESA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC001579454658 985944915 /nfs/dbraw/zinc/94/49/15/985944915.db2.gz TVIOAQQXCCMHBY-RFGFWPKPSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@]12CSC[C@@H]1C[N@@H+](CC1(C[NH3+])CC1)C2 ZINC001579475717 985986471 /nfs/dbraw/zinc/98/64/71/985986471.db2.gz OCFXEFXYHLEHTG-WDEREUQCSA-N 2 1 226.389 1.410 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+]C[C@@]2(C)CC[NH2+]C2)c1 ZINC001579544259 986072298 /nfs/dbraw/zinc/07/22/98/986072298.db2.gz UIDASXNFTQLBDL-ZDUSSCGKSA-N 2 1 235.331 1.185 20 0 BDADMP Cc1cc(C)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001579581443 986095212 /nfs/dbraw/zinc/09/52/12/986095212.db2.gz SFFUJYCWXWGFLJ-KGLIPLIRSA-N 2 1 234.343 1.116 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2O)cc1C ZINC001579696983 986184853 /nfs/dbraw/zinc/18/48/53/986184853.db2.gz QPLWMODQKMCOKA-ZIAGYGMSSA-N 2 1 234.343 1.116 20 0 BDADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](O)CC[NH3+] ZINC001579806734 986223110 /nfs/dbraw/zinc/22/31/10/986223110.db2.gz JWLFLOXNMLAKGP-OLZOCXBDSA-N 2 1 236.359 1.698 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[NH2+]CC2(C)C)cn1 ZINC001579969895 986373668 /nfs/dbraw/zinc/37/36/68/986373668.db2.gz OIXFUCOWJIHONR-CYZMBNFOSA-N 2 1 248.374 1.111 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCOCC3)[C@@H]2C1 ZINC001462668168 986491569 /nfs/dbraw/zinc/49/15/69/986491569.db2.gz MUBYTEQIIJKMDY-DGAVXFQQSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001462671015 986496012 /nfs/dbraw/zinc/49/60/12/986496012.db2.gz QHUVCKWZPVOITE-HBJVGIJOSA-N 2 1 249.358 1.535 20 0 BDADMP [NH3+][C@H](C[NH2+]CCCC(F)F)CC(F)(F)F ZINC001580132945 986601569 /nfs/dbraw/zinc/60/15/69/986601569.db2.gz SDYLJHIBQKHRRC-LURJTMIESA-N 2 1 234.212 1.901 20 0 BDADMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)[C@H]1CO ZINC001254517083 986657591 /nfs/dbraw/zinc/65/75/91/986657591.db2.gz RYUDNEYOYNCOIN-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)[C@H]1CO ZINC001254517083 986657600 /nfs/dbraw/zinc/65/76/00/986657600.db2.gz RYUDNEYOYNCOIN-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)[C@H]1CO ZINC001254517083 986657607 /nfs/dbraw/zinc/65/76/07/986657607.db2.gz RYUDNEYOYNCOIN-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254516550 986657823 /nfs/dbraw/zinc/65/78/23/986657823.db2.gz NWFAMGSYIHUHFU-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254516550 986657832 /nfs/dbraw/zinc/65/78/32/986657832.db2.gz NWFAMGSYIHUHFU-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254516550 986657838 /nfs/dbraw/zinc/65/78/38/986657838.db2.gz NWFAMGSYIHUHFU-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516550 986657847 /nfs/dbraw/zinc/65/78/47/986657847.db2.gz NWFAMGSYIHUHFU-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccoc2)C1 ZINC000379950479 986684615 /nfs/dbraw/zinc/68/46/15/986684615.db2.gz DZXYRAADYZSBSQ-LLVKDONJSA-N 2 1 208.305 1.840 20 0 BDADMP [NH3+]C[C@H]1CCCC12CC[NH+](Cc1c[nH]nn1)CC2 ZINC001580261202 986713709 /nfs/dbraw/zinc/71/37/09/986713709.db2.gz XOFBTOMOEBUUQZ-LLVKDONJSA-N 2 1 249.362 1.146 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnn2CC2CCC2)C1 ZINC001580422630 986840038 /nfs/dbraw/zinc/84/00/38/986840038.db2.gz AOSJYBSCDGKZCJ-TXEJJXNPSA-N 2 1 234.347 1.263 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC000384055689 986843296 /nfs/dbraw/zinc/84/32/96/986843296.db2.gz XIQQOIPWLIEJEG-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC001580431151 986851120 /nfs/dbraw/zinc/85/11/20/986851120.db2.gz DWTQSWYVNFKJQY-KYZUINATSA-N 2 1 216.288 1.142 20 0 BDADMP Nc1ccnc2c1C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)CC2 ZINC001580462093 986863164 /nfs/dbraw/zinc/86/31/64/986863164.db2.gz BCBGFMZUNGSSMF-WDEREUQCSA-N 2 1 246.358 1.149 20 0 BDADMP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)CC2 ZINC001580462093 986863166 /nfs/dbraw/zinc/86/31/66/986863166.db2.gz BCBGFMZUNGSSMF-WDEREUQCSA-N 3 1 246.358 1.149 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)CC2 ZINC001580462093 986863168 /nfs/dbraw/zinc/86/31/68/986863168.db2.gz BCBGFMZUNGSSMF-WDEREUQCSA-N 3 1 246.358 1.149 20 0 BDADMP Nc1ncccc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC001580472384 986868479 /nfs/dbraw/zinc/86/84/79/986868479.db2.gz FFHBCBNLVQZWQV-QWRGUYRKSA-N 2 1 232.331 1.023 20 0 BDADMP C[N@H+]1CC[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001255419593 986941684 /nfs/dbraw/zinc/94/16/84/986941684.db2.gz DFHPNADVDXCADO-NWDGAFQWSA-N 2 1 231.343 1.253 20 0 BDADMP Cc1cccc(C(=[NH2+])N[C@@H]2CC[N@@H+](C)C2)c1 ZINC001255424213 986945984 /nfs/dbraw/zinc/94/59/84/986945984.db2.gz SJANTJTYXPLXCJ-GFCCVEGCSA-N 2 1 217.316 1.614 20 0 BDADMP Cc1cccc(C(=[NH2+])N[C@@H]2CC[N@H+](C)C2)c1 ZINC001255424213 986945994 /nfs/dbraw/zinc/94/59/94/986945994.db2.gz SJANTJTYXPLXCJ-GFCCVEGCSA-N 2 1 217.316 1.614 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255566238 987021325 /nfs/dbraw/zinc/02/13/25/987021325.db2.gz DXHONKYZFFNOSE-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP C[C@H](CC(F)(F)F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001255656244 987048291 /nfs/dbraw/zinc/04/82/91/987048291.db2.gz RYGRWLSGZTUVKD-BBBLOLIVSA-N 2 1 236.281 1.821 20 0 BDADMP C[C@H](CC(F)(F)F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001255656244 987048306 /nfs/dbraw/zinc/04/83/06/987048306.db2.gz RYGRWLSGZTUVKD-BBBLOLIVSA-N 2 1 236.281 1.821 20 0 BDADMP C[C@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001255656244 987048318 /nfs/dbraw/zinc/04/83/18/987048318.db2.gz RYGRWLSGZTUVKD-BBBLOLIVSA-N 2 1 236.281 1.821 20 0 BDADMP C[C@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001255656244 987048330 /nfs/dbraw/zinc/04/83/30/987048330.db2.gz RYGRWLSGZTUVKD-BBBLOLIVSA-N 2 1 236.281 1.821 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001246006828 987283254 /nfs/dbraw/zinc/28/32/54/987283254.db2.gz VTMDDZFPUQAQAC-JOYOIKCWSA-N 2 1 244.285 1.325 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246014857 987294948 /nfs/dbraw/zinc/29/49/48/987294948.db2.gz SIVMVVLSWMSRNR-NWDGAFQWSA-N 2 1 214.353 1.351 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246014857 987294952 /nfs/dbraw/zinc/29/49/52/987294952.db2.gz SIVMVVLSWMSRNR-NWDGAFQWSA-N 2 1 214.353 1.351 20 0 BDADMP C[C@@](O)(C[N@H+]1CCC[C@H]([NH3+])CC1)c1ccccc1 ZINC001246015841 987298877 /nfs/dbraw/zinc/29/88/77/987298877.db2.gz HQAVRWIYQPOWHL-LSDHHAIUSA-N 2 1 248.370 1.707 20 0 BDADMP CCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246017511 987299467 /nfs/dbraw/zinc/29/94/67/987299467.db2.gz BBASKBZVFVIYEN-UTUOFQBUSA-N 2 1 214.353 1.207 20 0 BDADMP CCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246017511 987299477 /nfs/dbraw/zinc/29/94/77/987299477.db2.gz BBASKBZVFVIYEN-UTUOFQBUSA-N 2 1 214.353 1.207 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246020835 987308677 /nfs/dbraw/zinc/30/86/77/987308677.db2.gz KCIVGVPLKBAZFZ-MJBXVCDLSA-N 2 1 242.407 1.987 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246020835 987308688 /nfs/dbraw/zinc/30/86/88/987308688.db2.gz KCIVGVPLKBAZFZ-MJBXVCDLSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246021741 987310933 /nfs/dbraw/zinc/31/09/33/987310933.db2.gz OYTNRZQRHOAPCG-NEPJUHHUSA-N 2 1 232.343 1.156 20 0 BDADMP CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246021621 987312505 /nfs/dbraw/zinc/31/25/05/987312505.db2.gz KYMGBVOZWBEJCS-AVGNSLFASA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246022010 987314043 /nfs/dbraw/zinc/31/40/43/987314043.db2.gz ODGXZYLWNGPKAG-CHWSQXEVSA-N 2 1 228.380 1.454 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000693737741 987314826 /nfs/dbraw/zinc/31/48/26/987314826.db2.gz GOZGTVVTKLPBOP-SMDDNHRTSA-N 2 1 248.374 1.734 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000693737741 987314829 /nfs/dbraw/zinc/31/48/29/987314829.db2.gz GOZGTVVTKLPBOP-SMDDNHRTSA-N 2 1 248.374 1.734 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025920 987321039 /nfs/dbraw/zinc/32/10/39/987321039.db2.gz YHIQSBVKTVPORE-DGCLKSJQSA-N 2 1 246.370 1.546 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246027370 987322415 /nfs/dbraw/zinc/32/24/15/987322415.db2.gz XYYHYJRRSXOHDL-WOPDTQHZSA-N 2 1 214.353 1.207 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246027370 987322421 /nfs/dbraw/zinc/32/24/21/987322421.db2.gz XYYHYJRRSXOHDL-WOPDTQHZSA-N 2 1 214.353 1.207 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246026435 987326581 /nfs/dbraw/zinc/32/65/81/987326581.db2.gz VDLPVFMVLUQHHB-UPJWGTAASA-N 2 1 228.380 1.597 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246026435 987326588 /nfs/dbraw/zinc/32/65/88/987326588.db2.gz VDLPVFMVLUQHHB-UPJWGTAASA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246031477 987331791 /nfs/dbraw/zinc/33/17/91/987331791.db2.gz QBHWLCCBOCGZGW-JHJVBQTASA-N 2 1 228.380 1.310 20 0 BDADMP COCC[N@@H+](CCF)CCC1CC[NH2+]CC1 ZINC000697272520 987349957 /nfs/dbraw/zinc/34/99/57/987349957.db2.gz HSNSCJNVHSMOPA-UHFFFAOYSA-N 2 1 232.343 1.294 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000697090005 987350713 /nfs/dbraw/zinc/35/07/13/987350713.db2.gz WSSKPGOHEJNAHU-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)C[NH2+]1 ZINC001246090259 987395480 /nfs/dbraw/zinc/39/54/80/987395480.db2.gz WDTWUWLQHNDFFJ-CYDGBPFRSA-N 2 1 226.364 1.410 20 0 BDADMP COC(=O)CCCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246091483 987397535 /nfs/dbraw/zinc/39/75/35/987397535.db2.gz LKPIQDYDFWRNHT-GFCCVEGCSA-N 2 1 242.363 1.452 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2F)C[NH2+]1 ZINC001246090970 987398842 /nfs/dbraw/zinc/39/88/42/987398842.db2.gz CHFVDHNADLMSLW-NOOOWODRSA-N 2 1 214.328 1.855 20 0 BDADMP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCC[NH2+]CC1 ZINC001246093033 987402288 /nfs/dbraw/zinc/40/22/88/987402288.db2.gz GRCCZCBSMWTVKM-QWHCGFSZSA-N 3 1 225.380 1.108 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246093292 987403148 /nfs/dbraw/zinc/40/31/48/987403148.db2.gz RMWOGJWYSUKKGM-DDHJBXDOSA-N 2 1 214.328 1.855 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096926 987408581 /nfs/dbraw/zinc/40/85/81/987408581.db2.gz NQTLJYBKYBTLJR-POQQGIQPSA-N 3 1 237.391 1.247 20 0 BDADMP CC(=O)C(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246099305 987415340 /nfs/dbraw/zinc/41/53/40/987415340.db2.gz GZUAYKNPCNSKHF-ZACCUICWSA-N 2 1 210.321 1.227 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246099851 987420595 /nfs/dbraw/zinc/42/05/95/987420595.db2.gz KUGJMOSOCFZQHD-GWOFURMSSA-N 2 1 200.301 1.607 20 0 BDADMP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246102654 987427312 /nfs/dbraw/zinc/42/73/12/987427312.db2.gz WRYXERSMBMIMBC-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246102654 987427319 /nfs/dbraw/zinc/42/73/19/987427319.db2.gz WRYXERSMBMIMBC-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246104959 987433475 /nfs/dbraw/zinc/43/34/75/987433475.db2.gz AGYOFFQQOXFSPJ-XQQFMLRXSA-N 3 1 225.380 1.106 20 0 BDADMP C[NH2+]C1CCC([NH2+]C[C@@H]2CC[C@@H](C)CN2)CC1 ZINC001246107429 987438504 /nfs/dbraw/zinc/43/85/04/987438504.db2.gz GTJZIVFDLIOTOP-RYSNWHEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108040 987439321 /nfs/dbraw/zinc/43/93/21/987439321.db2.gz BVLBOLLZIJCMSK-CSHRUCKSSA-N 3 1 237.391 1.105 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC001246121848 987467255 /nfs/dbraw/zinc/46/72/55/987467255.db2.gz UKEJWJYXVMZHGQ-STQMWFEESA-N 3 1 239.407 1.306 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246136890 987493084 /nfs/dbraw/zinc/49/30/84/987493084.db2.gz YNEJVTXHGBRWDQ-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246162772 987527643 /nfs/dbraw/zinc/52/76/43/987527643.db2.gz SDJOZPSNNAYUQE-ZIAGYGMSSA-N 2 1 241.423 1.839 20 0 BDADMP [NH3+]C12CCC([NH2+][C@@H]3CCC[NH2+]C3)(CC1)CC2 ZINC001246163614 987528708 /nfs/dbraw/zinc/52/87/08/987528708.db2.gz NQKJFFQWSVRYRI-PNESKVBLSA-N 3 1 223.364 1.132 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246176274 987544570 /nfs/dbraw/zinc/54/45/70/987544570.db2.gz OBNXBXRUVVZXIT-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CC[NH2+]1 ZINC001246184354 987559079 /nfs/dbraw/zinc/55/90/79/987559079.db2.gz KGDRZMQFEPZSRL-GWCFXTLKSA-N 2 1 247.342 1.016 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186948 987565627 /nfs/dbraw/zinc/56/56/27/987565627.db2.gz KCCWMIITGAFLBI-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473843878 987575845 /nfs/dbraw/zinc/57/58/45/987575845.db2.gz OGFFPACOXPYTHE-MCIONIFRSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473843878 987575852 /nfs/dbraw/zinc/57/58/52/987575852.db2.gz OGFFPACOXPYTHE-MCIONIFRSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473843878 987575861 /nfs/dbraw/zinc/57/58/61/987575861.db2.gz OGFFPACOXPYTHE-MCIONIFRSA-N 2 1 240.391 1.277 20 0 BDADMP C(NC1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]1 ZINC001246194639 987585117 /nfs/dbraw/zinc/58/51/17/987585117.db2.gz OBKZHPSWECTIFM-MOKVOYLWSA-N 2 1 237.391 1.250 20 0 BDADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246198559 987596425 /nfs/dbraw/zinc/59/64/25/987596425.db2.gz GCTGHZXCAVKAFP-DGCLKSJQSA-N 2 1 249.358 1.710 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206173 987604338 /nfs/dbraw/zinc/60/43/38/987604338.db2.gz XXFJKOCBXUDCGJ-LPWJVIDDSA-N 3 1 225.380 1.377 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246210673 987607098 /nfs/dbraw/zinc/60/70/98/987607098.db2.gz JMCDRYJEJJIFMD-NEPJUHHUSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246210679 987607126 /nfs/dbraw/zinc/60/71/26/987607126.db2.gz JMCDRYJEJJIFMD-RYUDHWBXSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H](C[NH2+]C1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001473931070 987621155 /nfs/dbraw/zinc/62/11/55/987621155.db2.gz DIXNADFXDADRFA-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](C[NH2+]C1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001473931070 987621162 /nfs/dbraw/zinc/62/11/62/987621162.db2.gz DIXNADFXDADRFA-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CO)CC[NH2+]1 ZINC001246227565 987621378 /nfs/dbraw/zinc/62/13/78/987621378.db2.gz DNWQRQIBIQOPPB-FZMZJTMJSA-N 2 1 234.343 1.409 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]C1)C1CCC2(COC2)CC1 ZINC001246224313 987621652 /nfs/dbraw/zinc/62/16/52/987621652.db2.gz WATQSUXRLBGQCL-ZDUSSCGKSA-N 2 1 238.375 1.535 20 0 BDADMP C([NH2+][C@@H]1CCCCNC1)[C@@H]1CCC[NH2+]CC1 ZINC001246225277 987621777 /nfs/dbraw/zinc/62/17/77/987621777.db2.gz OTWCAGVVBCLXMQ-CHWSQXEVSA-N 2 1 225.380 1.108 20 0 BDADMP OC[C@H](CC1CCCCC1)[NH2+][C@H]1CCCNC1 ZINC001246228834 987624507 /nfs/dbraw/zinc/62/45/07/987624507.db2.gz GHZGBEIPGONVDU-KBPBESRZSA-N 2 1 240.391 1.659 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cncnc1 ZINC001246228529 987626671 /nfs/dbraw/zinc/62/66/71/987626671.db2.gz ILWGIRLOCAQODY-FOGDFJRCSA-N 2 1 220.320 1.268 20 0 BDADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)nc1 ZINC001246231962 987629106 /nfs/dbraw/zinc/62/91/06/987629106.db2.gz VSDUYJBULPFCHP-NSHDSACASA-N 2 1 219.332 1.793 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(=O)CC2)C[NH2+]1 ZINC001246237348 987636419 /nfs/dbraw/zinc/63/64/19/987636419.db2.gz SDJOUROJVZKLOL-KOLCDFICSA-N 2 1 210.321 1.228 20 0 BDADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246267477 987662045 /nfs/dbraw/zinc/66/20/45/987662045.db2.gz ICGJICFAHTYCLG-GRYCIOLGSA-N 2 1 240.347 1.060 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246274649 987670981 /nfs/dbraw/zinc/67/09/81/987670981.db2.gz YUMVPKSWZIBOFI-STQMWFEESA-N 3 1 225.380 1.108 20 0 BDADMP CCCC[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246278655 987673709 /nfs/dbraw/zinc/67/37/09/987673709.db2.gz LFLJSVXCGUNDHM-XUXIUFHCSA-N 3 1 239.407 1.767 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCCC3)[C@@H]2C1 ZINC001474301166 987683411 /nfs/dbraw/zinc/68/34/11/987683411.db2.gz GKZRGZZBTOPVPV-CYZMBNFOSA-N 2 1 208.349 1.859 20 0 BDADMP CCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246299159 987692591 /nfs/dbraw/zinc/69/25/91/987692591.db2.gz JXILKYLJVWXTMM-WOPDTQHZSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)O)C[NH2+]1 ZINC001246299763 987693475 /nfs/dbraw/zinc/69/34/75/987693475.db2.gz KPZRQNWZHPUUMS-WDEREUQCSA-N 2 1 214.353 1.268 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH3+])CC[NH2+]1 ZINC001246299984 987694756 /nfs/dbraw/zinc/69/47/56/987694756.db2.gz LBSKUPMYKLZLHF-YNEHKIRRSA-N 3 1 227.396 1.624 20 0 BDADMP CCCC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246307996 987708274 /nfs/dbraw/zinc/70/82/74/987708274.db2.gz NRCGPYMAIVVUMP-MJBXVCDLSA-N 2 1 242.407 1.761 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246307639 987709293 /nfs/dbraw/zinc/70/92/93/987709293.db2.gz ZWXGISGYLMFYJB-QWHCGFSZSA-N 3 1 239.407 1.768 20 0 BDADMP CC[C@H](N)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001246311491 987710600 /nfs/dbraw/zinc/71/06/00/987710600.db2.gz DTJPHXDCEITVNJ-HSBZDZAISA-N 2 1 241.423 1.966 20 0 BDADMP c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246310138 987711094 /nfs/dbraw/zinc/71/10/94/987711094.db2.gz FSDMVRJNDILDHT-ZDUSSCGKSA-N 2 1 217.316 1.411 20 0 BDADMP Oc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246313063 987715597 /nfs/dbraw/zinc/71/55/97/987715597.db2.gz XMRUGLQBDCVVQR-KBPBESRZSA-N 2 1 246.354 1.591 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001246315274 987720908 /nfs/dbraw/zinc/72/09/08/987720908.db2.gz RSXYCKUBNULDFP-JTQLQIEISA-N 2 1 243.395 1.724 20 0 BDADMP CO[C@@H](C)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001474443042 987722743 /nfs/dbraw/zinc/72/27/43/987722743.db2.gz PHZZSILHCOUQBT-QWHCGFSZSA-N 2 1 244.379 1.112 20 0 BDADMP CC[C@@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246319281 987726004 /nfs/dbraw/zinc/72/60/04/987726004.db2.gz UTKRTARNYLENGW-HUUCEWRRSA-N 2 1 247.386 1.588 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001246319281 987726021 /nfs/dbraw/zinc/72/60/21/987726021.db2.gz UTKRTARNYLENGW-HUUCEWRRSA-N 2 1 247.386 1.588 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)C1 ZINC001474499100 987741528 /nfs/dbraw/zinc/74/15/28/987741528.db2.gz KADGTLSJHGEVLN-YIYPIFLZSA-N 2 1 238.375 1.341 20 0 BDADMP CC(C)[C@H](N)C[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246334623 987743075 /nfs/dbraw/zinc/74/30/75/987743075.db2.gz VQCXZEAGDWMZSA-BFHYXJOUSA-N 2 1 239.407 1.482 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)CC(C)(C)CC[NH3+] ZINC001246339196 987747732 /nfs/dbraw/zinc/74/77/32/987747732.db2.gz OWIYIPMNNSUCGQ-CHWSQXEVSA-N 3 1 241.423 1.729 20 0 BDADMP OCCCCCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246338948 987749470 /nfs/dbraw/zinc/74/94/70/987749470.db2.gz DIJJXFPMJVUJQT-ZDUSSCGKSA-N 2 1 228.380 1.661 20 0 BDADMP C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246355682 987765717 /nfs/dbraw/zinc/76/57/17/987765717.db2.gz ZJVYEJVPRSTPCN-WCQYABFASA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH2+]1 ZINC001246361166 987766660 /nfs/dbraw/zinc/76/66/60/987766660.db2.gz KBICCCLAOZNTQY-XBFCOCLRSA-N 2 1 237.391 1.201 20 0 BDADMP C(C1CCC1)[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC001246359174 987768594 /nfs/dbraw/zinc/76/85/94/987768594.db2.gz FLDSGRWGYHUWKX-KGLIPLIRSA-N 2 1 237.391 1.202 20 0 BDADMP Cc1cc2c(cn1)[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246367782 987772856 /nfs/dbraw/zinc/77/28/56/987772856.db2.gz AVMGYYXPNGQLQK-AWEZNQCLSA-N 2 1 231.343 1.719 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246372380 987775808 /nfs/dbraw/zinc/77/58/08/987775808.db2.gz LKONMYBYIJAXBN-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)CC1CC1 ZINC001246401744 987784516 /nfs/dbraw/zinc/78/45/16/987784516.db2.gz ONYDXAITWDIQEH-KOLCDFICSA-N 2 1 228.336 1.045 20 0 BDADMP CC(C)CC1([NH2+][C@H]2CCC[NH2+]C2)CCOCC1 ZINC001246407049 987788131 /nfs/dbraw/zinc/78/81/31/987788131.db2.gz SSNPFKICXYRREW-ZDUSSCGKSA-N 2 1 240.391 1.923 20 0 BDADMP CCC1(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246425824 987796190 /nfs/dbraw/zinc/79/61/90/987796190.db2.gz ZOWOIKVCADQGEP-OLZOCXBDSA-N 3 1 239.407 1.496 20 0 BDADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccn1 ZINC001246467581 987825663 /nfs/dbraw/zinc/82/56/63/987825663.db2.gz ADPRYSADTYBKMI-NTZNESFSSA-N 2 1 249.358 1.881 20 0 BDADMP Nc1cccc(CC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246467133 987826158 /nfs/dbraw/zinc/82/61/58/987826158.db2.gz SEJGULFMBDYKHY-ZDUSSCGKSA-N 2 1 219.332 1.153 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CNc3ccccc32)C[NH2+]1 ZINC001246472593 987828103 /nfs/dbraw/zinc/82/81/03/987828103.db2.gz HCFALZWURIUIQG-AGIUHOORSA-N 2 1 245.370 1.926 20 0 BDADMP COc1cnccc1CC[NH2+][C@@H]1CC[C@H](C)NC1 ZINC001246477921 987835000 /nfs/dbraw/zinc/83/50/00/987835000.db2.gz RHVHLAAFUZRJSL-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP COc1cnccc1CC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246477921 987835004 /nfs/dbraw/zinc/83/50/04/987835004.db2.gz RHVHLAAFUZRJSL-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCC[C@H]1[NH3+])C2 ZINC001246479331 987839108 /nfs/dbraw/zinc/83/91/08/987839108.db2.gz TVMVXWUKNZQEBA-RGDJUOJXSA-N 2 1 237.391 1.471 20 0 BDADMP [NH3+]Cc1ccc(CC[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246483661 987841683 /nfs/dbraw/zinc/84/16/83/987841683.db2.gz MSMDGKYIUBYMOG-HNNXBMFYSA-N 3 1 247.386 1.420 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246487629 987843815 /nfs/dbraw/zinc/84/38/15/987843815.db2.gz HYNXWWYDHIXUBX-AVGNSLFASA-N 2 1 227.396 1.352 20 0 BDADMP CCCC1CCC([NH2+]C[C@H]2C[NH2+]CCN2)CC1 ZINC001246488265 987843938 /nfs/dbraw/zinc/84/39/38/987843938.db2.gz JIQHVVKLPCKQBX-JXQTWKCFSA-N 2 1 239.407 1.496 20 0 BDADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488271 987844265 /nfs/dbraw/zinc/84/42/65/987844265.db2.gz JKAZOKVKQJYOSY-GJZGRUSLSA-N 2 1 247.386 1.159 20 0 BDADMP CCC1CCC([NH2+]C[C@@H]2C[NH2+]CCN2)CC1 ZINC001246490382 987844534 /nfs/dbraw/zinc/84/45/34/987844534.db2.gz PZGICSWBENSTGD-BPCQOVAHSA-N 2 1 225.380 1.106 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246487631 987845555 /nfs/dbraw/zinc/84/55/55/987845555.db2.gz HYNXWWYDHIXUBX-RWMBFGLXSA-N 2 1 227.396 1.352 20 0 BDADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246497896 987852146 /nfs/dbraw/zinc/85/21/46/987852146.db2.gz OFKDVKFOWMWQFX-BJDJZHNGSA-N 2 1 240.347 1.058 20 0 BDADMP c1nn2ccccc2c1C[NH2+]C1CC[NH2+]CC1 ZINC001246504599 987858742 /nfs/dbraw/zinc/85/87/42/987858742.db2.gz DRXNZIIENFILQX-UHFFFAOYSA-N 2 1 230.315 1.176 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C[NH2+]1 ZINC001246504372 987859268 /nfs/dbraw/zinc/85/92/68/987859268.db2.gz PUGLIGHPALONAT-SNPRPXQTSA-N 2 1 248.370 1.493 20 0 BDADMP CCCC[N@@H+](CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246521314 987867956 /nfs/dbraw/zinc/86/79/56/987867956.db2.gz OHAARLWQBCIEGQ-GFCCVEGCSA-N 2 1 225.380 1.202 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[NH2+]CC1)C2 ZINC001246522314 987872484 /nfs/dbraw/zinc/87/24/84/987872484.db2.gz CEIRDHNYTSQOBS-BTTYYORXSA-N 2 1 237.391 1.297 20 0 BDADMP C1C[NH2+]C[C@@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246524434 987875196 /nfs/dbraw/zinc/87/51/96/987875196.db2.gz QKGONAWKTKSURL-ZDUSSCGKSA-N 3 1 237.391 1.204 20 0 BDADMP C1C[NH2+]C[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246524434 987875200 /nfs/dbraw/zinc/87/52/00/987875200.db2.gz QKGONAWKTKSURL-ZDUSSCGKSA-N 3 1 237.391 1.204 20 0 BDADMP Fc1cccc2c1CC[C@@H]([N@@H+]1CCC[NH2+]CC1)C2 ZINC001246525513 987878834 /nfs/dbraw/zinc/87/88/34/987878834.db2.gz SALDQFGJKPTOCX-CYBMUJFWSA-N 2 1 248.345 1.978 20 0 BDADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCC[NH2+]CC1)C2 ZINC001246525513 987878838 /nfs/dbraw/zinc/87/88/38/987878838.db2.gz SALDQFGJKPTOCX-CYBMUJFWSA-N 2 1 248.345 1.978 20 0 BDADMP C1CC2(C[C@@H]1[N@H+]1CCCNCC1)CC[NH2+]CC2 ZINC001246526413 987879091 /nfs/dbraw/zinc/87/90/91/987879091.db2.gz WSLMCGAUGADFJW-CYBMUJFWSA-N 2 1 237.391 1.204 20 0 BDADMP C1CC2(C[C@@H]1N1CCC[NH2+]CC1)CC[NH2+]CC2 ZINC001246526413 987879095 /nfs/dbraw/zinc/87/90/95/987879095.db2.gz WSLMCGAUGADFJW-CYBMUJFWSA-N 2 1 237.391 1.204 20 0 BDADMP CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246528906 987883365 /nfs/dbraw/zinc/88/33/65/987883365.db2.gz IUEVLJSWFNKPMZ-WCQYABFASA-N 2 1 241.379 1.057 20 0 BDADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246528906 987883369 /nfs/dbraw/zinc/88/33/69/987883369.db2.gz IUEVLJSWFNKPMZ-WCQYABFASA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246527397 987883971 /nfs/dbraw/zinc/88/39/71/987883971.db2.gz TZTGIXLJTABKGZ-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246527397 987883972 /nfs/dbraw/zinc/88/39/72/987883972.db2.gz TZTGIXLJTABKGZ-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[N@@H+]([C@H](C)CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532408 987892021 /nfs/dbraw/zinc/89/20/21/987892021.db2.gz ZTQREOMDHCNION-CHWSQXEVSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246535719 987895839 /nfs/dbraw/zinc/89/58/39/987895839.db2.gz PFSCSTMIQVDFDK-MPPDQPJWSA-N 2 1 222.332 1.167 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246535719 987895842 /nfs/dbraw/zinc/89/58/42/987895842.db2.gz PFSCSTMIQVDFDK-MPPDQPJWSA-N 2 1 222.332 1.167 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537192 987897872 /nfs/dbraw/zinc/89/78/72/987897872.db2.gz YXDXTGQYQUNLHH-MOKVOYLWSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537192 987897876 /nfs/dbraw/zinc/89/78/76/987897876.db2.gz YXDXTGQYQUNLHH-MOKVOYLWSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537192 987897882 /nfs/dbraw/zinc/89/78/82/987897882.db2.gz YXDXTGQYQUNLHH-MOKVOYLWSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1([NH3+])CCN(C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537192 987897887 /nfs/dbraw/zinc/89/78/87/987897887.db2.gz YXDXTGQYQUNLHH-MOKVOYLWSA-N 2 1 237.391 1.332 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C[NH3+])CC1)C2 ZINC001246538991 987899774 /nfs/dbraw/zinc/89/97/74/987899774.db2.gz RGIMNJHITLQFCE-WDNDVIMCSA-N 3 1 237.391 1.282 20 0 BDADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C[NH3+])CC1)C2 ZINC001246538991 987899776 /nfs/dbraw/zinc/89/97/76/987899776.db2.gz RGIMNJHITLQFCE-WDNDVIMCSA-N 2 1 237.391 1.282 20 0 BDADMP C[C@@H]1CC([N@@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246539730 987906117 /nfs/dbraw/zinc/90/61/17/987906117.db2.gz IMZQNCBNYHIVID-UTUOFQBUSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1CC([N@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246539730 987906123 /nfs/dbraw/zinc/90/61/23/987906123.db2.gz IMZQNCBNYHIVID-UTUOFQBUSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C[NH3+] ZINC001246540525 987906322 /nfs/dbraw/zinc/90/63/22/987906322.db2.gz JTQYIAWLINPYRS-MEBFFEOJSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C[NH3+] ZINC001246540525 987906330 /nfs/dbraw/zinc/90/63/30/987906330.db2.gz JTQYIAWLINPYRS-MEBFFEOJSA-N 2 1 237.391 1.138 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C[NH3+] ZINC001246540525 987906337 /nfs/dbraw/zinc/90/63/37/987906337.db2.gz JTQYIAWLINPYRS-MEBFFEOJSA-N 2 1 237.391 1.138 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C[NH3+] ZINC001246540525 987906342 /nfs/dbraw/zinc/90/63/42/987906342.db2.gz JTQYIAWLINPYRS-MEBFFEOJSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C[NH3+] ZINC001246540525 987906348 /nfs/dbraw/zinc/90/63/48/987906348.db2.gz JTQYIAWLINPYRS-MEBFFEOJSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543901 987907642 /nfs/dbraw/zinc/90/76/42/987907642.db2.gz OVCXTVZXQUBORI-AAEUAGOBSA-N 2 1 226.364 1.351 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCO1 ZINC001246541476 987911613 /nfs/dbraw/zinc/91/16/13/987911613.db2.gz LSBPDULUYBABJV-QNWHQSFQSA-N 2 1 226.364 1.471 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542723 987911966 /nfs/dbraw/zinc/91/19/66/987911966.db2.gz KWQLWZYPGCYQRU-QJPTWQEYSA-N 2 1 242.363 1.530 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CCCOCC2)C[C@H]1C[NH3+] ZINC001246543045 987914021 /nfs/dbraw/zinc/91/40/21/987914021.db2.gz RPRFFDZQBPLRMV-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC001246544594 987920918 /nfs/dbraw/zinc/92/09/18/987920918.db2.gz RGAHBCGCVQIITC-VXGBXAGGSA-N 2 1 244.404 1.058 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544966 987922813 /nfs/dbraw/zinc/92/28/13/987922813.db2.gz IOQGGHWYFDEPNE-ACJTYDJDSA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544966 987922823 /nfs/dbraw/zinc/92/28/23/987922823.db2.gz IOQGGHWYFDEPNE-ACJTYDJDSA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246552952 987950937 /nfs/dbraw/zinc/95/09/37/987950937.db2.gz WLRZJHXSTBGJDS-STQMWFEESA-N 3 1 243.370 1.281 20 0 BDADMP CCc1ncc(C[NH2+]CC[C@H](C)[NH2+]C)s1 ZINC001117953908 987965881 /nfs/dbraw/zinc/96/58/81/987965881.db2.gz SREIHNLEXYYHNK-VIFPVBQESA-N 2 1 227.377 1.793 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246556041 987965616 /nfs/dbraw/zinc/96/56/16/987965616.db2.gz YHAAQZJQOSPJCF-AGIUHOORSA-N 2 1 226.364 1.757 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246556785 987966040 /nfs/dbraw/zinc/96/60/40/987966040.db2.gz DEJUXJXPQBWAAK-QJPTWQEYSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCCOCC2)CC[C@H]1C[NH3+] ZINC001246555855 987966487 /nfs/dbraw/zinc/96/64/87/987966487.db2.gz HEMITZWJNCQFMY-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2)CC[C@@H]1C[NH3+] ZINC001246555712 987967303 /nfs/dbraw/zinc/96/73/03/987967303.db2.gz FUARHRIWEPLCCR-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246556234 987969030 /nfs/dbraw/zinc/96/90/30/987969030.db2.gz YUCLTAQBKQAEHJ-XJFOESAGSA-N 3 1 239.407 1.719 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246556234 987969040 /nfs/dbraw/zinc/96/90/40/987969040.db2.gz YUCLTAQBKQAEHJ-XJFOESAGSA-N 3 1 239.407 1.719 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccccc1F ZINC001117953845 987969221 /nfs/dbraw/zinc/96/92/21/987969221.db2.gz RPSQWEXTOANFFI-JTQLQIEISA-N 2 1 210.296 1.913 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246556043 987970542 /nfs/dbraw/zinc/97/05/42/987970542.db2.gz YHAAQZJQOSPJCF-AVGNSLFASA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246555693 987971477 /nfs/dbraw/zinc/97/14/77/987971477.db2.gz HOMBRQIFRRRMOS-DGTMBMJNSA-N 2 1 237.391 1.044 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246558484 987975779 /nfs/dbraw/zinc/97/57/79/987975779.db2.gz LDDCKFBLTGCTOI-RDBSUJKOSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001246558401 987976782 /nfs/dbraw/zinc/97/67/82/987976782.db2.gz QBJCNHZWIHJBOG-HZSPNIEDSA-N 2 1 239.407 1.530 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246562096 987994826 /nfs/dbraw/zinc/99/48/26/987994826.db2.gz VSTJBYJDNWPFCD-VXGBXAGGSA-N 3 1 231.359 1.137 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001246562713 988004335 /nfs/dbraw/zinc/00/43/35/988004335.db2.gz WESDKQWPPKKEHV-CHWSQXEVSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC[N@H+](C2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001246562713 988004296 /nfs/dbraw/zinc/00/42/96/988004296.db2.gz WESDKQWPPKKEHV-CHWSQXEVSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001246562713 988004313 /nfs/dbraw/zinc/00/43/13/988004313.db2.gz WESDKQWPPKKEHV-CHWSQXEVSA-N 3 1 239.407 1.387 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CC[C@H](C)[NH2+]C)cn1 ZINC001118122094 988029929 /nfs/dbraw/zinc/02/99/29/988029929.db2.gz OPTSYCBXPIYMSX-WDEREUQCSA-N 2 1 224.352 1.552 20 0 BDADMP CCSC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246566852 988031413 /nfs/dbraw/zinc/03/14/13/988031413.db2.gz GKCKNEMVIPUQPY-DCAQKATOSA-N 2 1 234.384 1.889 20 0 BDADMP CCSC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246566852 988031428 /nfs/dbraw/zinc/03/14/28/988031428.db2.gz GKCKNEMVIPUQPY-DCAQKATOSA-N 2 1 234.384 1.889 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CCO1 ZINC001246569080 988038307 /nfs/dbraw/zinc/03/83/07/988038307.db2.gz PTRAUMDBKGXJLQ-RFQIPJPRSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC[C@@H]1F ZINC001246574363 988069584 /nfs/dbraw/zinc/06/95/84/988069584.db2.gz XYHDMPPEXJQHEA-NTWDBFDFSA-N 2 1 240.322 1.234 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC[C@@H]1F ZINC001246574363 988069601 /nfs/dbraw/zinc/06/96/01/988069601.db2.gz XYHDMPPEXJQHEA-NTWDBFDFSA-N 2 1 240.322 1.234 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246574111 988075843 /nfs/dbraw/zinc/07/58/43/988075843.db2.gz DCFKPTCTIFLUAG-OLZOCXBDSA-N 2 1 243.370 1.234 20 0 BDADMP CCCC[C@@H](CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580193 988097640 /nfs/dbraw/zinc/09/76/40/988097640.db2.gz KYKMXSYOMKJKMV-TUAOUCFPSA-N 2 1 214.353 1.207 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCSC2)CC[C@H]1F ZINC001246578709 988100560 /nfs/dbraw/zinc/10/05/60/988100560.db2.gz BLRGKYWDIYLBDD-IVZWLZJFSA-N 2 1 218.341 1.253 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCSC2)CC[C@H]1F ZINC001246578709 988100564 /nfs/dbraw/zinc/10/05/64/988100564.db2.gz BLRGKYWDIYLBDD-IVZWLZJFSA-N 2 1 218.341 1.253 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246581984 988113961 /nfs/dbraw/zinc/11/39/61/988113961.db2.gz LWGKEJROOBTJRU-RLAWYHOSSA-N 2 1 238.375 1.757 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246583778 988120052 /nfs/dbraw/zinc/12/00/52/988120052.db2.gz KSCFQKVCZHIOLD-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001246583602 988120023 /nfs/dbraw/zinc/12/00/23/988120023.db2.gz KAKONXQDCYMRHB-AEGPPILISA-N 2 1 248.370 1.177 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583148 988123253 /nfs/dbraw/zinc/12/32/53/988123253.db2.gz IJRSNOVVRGQGIN-XUXIUFHCSA-N 2 1 242.407 1.699 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246583249 988125409 /nfs/dbraw/zinc/12/54/09/988125409.db2.gz IXHRLMQUDMXJRS-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246583249 988125426 /nfs/dbraw/zinc/12/54/26/988125426.db2.gz IXHRLMQUDMXJRS-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C2CCCCCCC2)C[C@@H]1O ZINC001246585559 988136426 /nfs/dbraw/zinc/13/64/26/988136426.db2.gz PBKUTQJYHPYWNW-AAEUAGOBSA-N 2 1 226.364 1.351 20 0 BDADMP COC1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246584331 988136455 /nfs/dbraw/zinc/13/64/55/988136455.db2.gz JACZXVMEAMFVJY-TUUUFIMRSA-N 2 1 244.354 1.705 20 0 BDADMP COC1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246584331 988136459 /nfs/dbraw/zinc/13/64/59/988136459.db2.gz JACZXVMEAMFVJY-TUUUFIMRSA-N 2 1 244.354 1.705 20 0 BDADMP CCCCC[C@H](CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246584498 988139151 /nfs/dbraw/zinc/13/91/51/988139151.db2.gz NHCKIKKIRRWEGH-AVGNSLFASA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)OCC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587151 988142562 /nfs/dbraw/zinc/14/25/62/988142562.db2.gz FQBCDTLNXYNVRA-NSHDSACASA-N 2 1 214.353 1.471 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246588489 988152844 /nfs/dbraw/zinc/15/28/44/988152844.db2.gz ZSZKXBDZDYLCPH-TUAOUCFPSA-N 2 1 214.353 1.063 20 0 BDADMP CC1(C[NH3+])C[NH+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246587545 988148463 /nfs/dbraw/zinc/14/84/63/988148463.db2.gz HCEGVDKOANCHHF-GFCCVEGCSA-N 2 1 248.345 1.964 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@]1(C)O ZINC001246587161 988149818 /nfs/dbraw/zinc/14/98/18/988149818.db2.gz FTPCOEUSFYODEE-YIPFDTCYSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246588736 988154659 /nfs/dbraw/zinc/15/46/59/988154659.db2.gz CICBXTHVGCOQQY-IXXDHKBRSA-N 3 1 249.402 1.496 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246588736 988154676 /nfs/dbraw/zinc/15/46/76/988154676.db2.gz CICBXTHVGCOQQY-IXXDHKBRSA-N 3 1 249.402 1.496 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590045 988166704 /nfs/dbraw/zinc/16/67/04/988166704.db2.gz HWZNFPZPHMWWJA-IZXDZPFWSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590045 988166716 /nfs/dbraw/zinc/16/67/16/988166716.db2.gz HWZNFPZPHMWWJA-IZXDZPFWSA-N 3 1 237.391 1.329 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246593398 988173626 /nfs/dbraw/zinc/17/36/26/988173626.db2.gz MSEPVVWXXIOOIK-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246593436 988176612 /nfs/dbraw/zinc/17/66/12/988176612.db2.gz NDVQYXUNTBPJQT-OLZOCXBDSA-N 3 1 237.391 1.189 20 0 BDADMP C[C@@H](Cc1ccco1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246593789 988184104 /nfs/dbraw/zinc/18/41/04/988184104.db2.gz FCBZGBAXIWKNPY-JTQLQIEISA-N 2 1 208.305 1.491 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)C[NH2+]1 ZINC001246595088 988186914 /nfs/dbraw/zinc/18/69/14/988186914.db2.gz XULXIWZQVSFOIM-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C)[C@](C)(O)C2)C[NH2+]1 ZINC001246595088 988186921 /nfs/dbraw/zinc/18/69/21/988186921.db2.gz XULXIWZQVSFOIM-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597649 988196152 /nfs/dbraw/zinc/19/61/52/988196152.db2.gz YAHXJDSSEKJRNS-BFHYXJOUSA-N 3 1 239.407 1.578 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597649 988196155 /nfs/dbraw/zinc/19/61/55/988196155.db2.gz YAHXJDSSEKJRNS-BFHYXJOUSA-N 3 1 239.407 1.578 20 0 BDADMP C1CC2(CCCCC2)[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246610513 988240939 /nfs/dbraw/zinc/24/09/39/988240939.db2.gz BGFPZKFBBDSNEB-ZDUSSCGKSA-N 2 1 249.402 1.489 20 0 BDADMP CCCCC[C@H](C)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621861 988272651 /nfs/dbraw/zinc/27/26/51/988272651.db2.gz GNJBCLGMZXGFKQ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246634700 988318586 /nfs/dbraw/zinc/31/85/86/988318586.db2.gz AWRPRQATZMDUOJ-KBUPBQIOSA-N 3 1 249.402 1.345 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636980 988331506 /nfs/dbraw/zinc/33/15/06/988331506.db2.gz HZZBRRMGGWLIFX-IJLUTSLNSA-N 2 1 224.348 1.380 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246644074 988357435 /nfs/dbraw/zinc/35/74/35/988357435.db2.gz PMXHXELBSPZFJX-UONOGXRCSA-N 2 1 237.391 1.299 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCCC[N@H+]2[C@H]1CCCOCC1 ZINC001246645831 988365225 /nfs/dbraw/zinc/36/52/25/988365225.db2.gz WFBPQKFILOLXSQ-KBPBESRZSA-N 2 1 238.375 1.774 20 0 BDADMP C1CO[C@H]2C[N@H+](C3CC[NH2+]CC3)CC[C@H]2C1 ZINC001246648424 988372997 /nfs/dbraw/zinc/37/29/97/988372997.db2.gz PQRBAFVRLFXJNK-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)C[NH2+]1 ZINC001246676569 988421174 /nfs/dbraw/zinc/42/11/74/988421174.db2.gz CHHJVLSZJPMFQU-YFKTTZPYSA-N 2 1 222.332 1.323 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)C[NH2+]1 ZINC001246676569 988421180 /nfs/dbraw/zinc/42/11/80/988421180.db2.gz CHHJVLSZJPMFQU-YFKTTZPYSA-N 2 1 222.332 1.323 20 0 BDADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[nH]n1 ZINC001323331454 988496557 /nfs/dbraw/zinc/49/65/57/988496557.db2.gz PTFMSCPMMWSEKR-GXTWGEPZSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n[nH]1 ZINC001323331454 988496564 /nfs/dbraw/zinc/49/65/64/988496564.db2.gz PTFMSCPMMWSEKR-GXTWGEPZSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n[nH]1 ZINC001323331454 988496574 /nfs/dbraw/zinc/49/65/74/988496574.db2.gz PTFMSCPMMWSEKR-GXTWGEPZSA-N 2 1 248.374 1.634 20 0 BDADMP COC(=O)CC[C@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC001246836302 988542604 /nfs/dbraw/zinc/54/26/04/988542604.db2.gz WOMNCRWMLSHANH-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CC[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC001246836302 988542611 /nfs/dbraw/zinc/54/26/11/988542611.db2.gz WOMNCRWMLSHANH-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP CCC(CC)[N@@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246848101 988563745 /nfs/dbraw/zinc/56/37/45/988563745.db2.gz WCLUSPDRQKDMSD-LBPRGKRZSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C[NH2+]1 ZINC001246859628 988584606 /nfs/dbraw/zinc/58/46/06/988584606.db2.gz MCQSAYOBCKQKOL-LVEVGFFFSA-N 2 1 212.312 1.559 20 0 BDADMP CCC[C@@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859551 988586104 /nfs/dbraw/zinc/58/61/04/988586104.db2.gz LGFSVEMXBBPOIK-YIBTVLSRSA-N 2 1 212.337 1.081 20 0 BDADMP COC1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246859329 988588530 /nfs/dbraw/zinc/58/85/30/988588530.db2.gz JUOLIAMKOGSWDZ-XVSSEFHLSA-N 2 1 224.348 1.367 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246859597 988589743 /nfs/dbraw/zinc/58/97/43/988589743.db2.gz GGAWUBIBEOVSJT-UHTWSYAYSA-N 2 1 224.348 1.570 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246859597 988589766 /nfs/dbraw/zinc/58/97/66/988589766.db2.gz GGAWUBIBEOVSJT-UHTWSYAYSA-N 2 1 224.348 1.570 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246861364 988605336 /nfs/dbraw/zinc/60/53/36/988605336.db2.gz PBJFJRKBAUVNPF-TUVASFSCSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246861364 988605351 /nfs/dbraw/zinc/60/53/51/988605351.db2.gz PBJFJRKBAUVNPF-TUVASFSCSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246861364 988605362 /nfs/dbraw/zinc/60/53/62/988605362.db2.gz PBJFJRKBAUVNPF-TUVASFSCSA-N 2 1 249.402 1.332 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4C[C@@]4([NH3+])C3)C[C@@H]21 ZINC001246864835 988606148 /nfs/dbraw/zinc/60/61/48/988606148.db2.gz BABLGKQRUWEASV-ZZBQETCWSA-N 2 1 206.333 1.454 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)C[C@@H]21 ZINC001246864835 988606141 /nfs/dbraw/zinc/60/61/41/988606141.db2.gz BABLGKQRUWEASV-ZZBQETCWSA-N 2 1 206.333 1.454 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246878308 988641572 /nfs/dbraw/zinc/64/15/72/988641572.db2.gz KKZJVXUZRTZEKF-CYDGBPFRSA-N 2 1 224.348 1.380 20 0 BDADMP FC1(F)CO[C@@]2(CC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC001246880774 988648234 /nfs/dbraw/zinc/64/82/34/988648234.db2.gz RWIHSNRIPGPIKV-NSHDSACASA-N 2 1 246.301 1.239 20 0 BDADMP FC1(F)CO[C@@]2(CC[N@H+](C3CC[NH2+]CC3)C2)C1 ZINC001246880774 988648238 /nfs/dbraw/zinc/64/82/38/988648238.db2.gz RWIHSNRIPGPIKV-NSHDSACASA-N 2 1 246.301 1.239 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246882636 988648428 /nfs/dbraw/zinc/64/84/28/988648428.db2.gz ZLZANILJKAVGNK-AEBFUODCSA-N 2 1 236.359 1.523 20 0 BDADMP CC[N@H+](CCNC)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246890714 988661341 /nfs/dbraw/zinc/66/13/41/988661341.db2.gz KVNGMMMKTXVKMY-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CCNC)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246890714 988661347 /nfs/dbraw/zinc/66/13/47/988661347.db2.gz KVNGMMMKTXVKMY-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCc2ccc(N)cc2C1 ZINC001246904411 988683068 /nfs/dbraw/zinc/68/30/68/988683068.db2.gz FZSNNFPEBIKFRA-LLVKDONJSA-N 2 1 233.359 1.625 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246907398 988692063 /nfs/dbraw/zinc/69/20/63/988692063.db2.gz FSWUGDJQRXPPTM-MCIONIFRSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246910091 988692363 /nfs/dbraw/zinc/69/23/63/988692363.db2.gz JYHUGKYDTGTZHI-HZSPNIEDSA-N 2 1 239.407 1.541 20 0 BDADMP CC[C@H]1CC([N@@H+](C)CCO)C[C@H](CC)[NH2+]1 ZINC001246915949 988710306 /nfs/dbraw/zinc/71/03/06/988710306.db2.gz ZJRLMPSCWPUVLY-QWRGUYRKSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC001246919480 988723986 /nfs/dbraw/zinc/72/39/86/988723986.db2.gz NINLNVKXPLGNEA-MOLYVOAJSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC001246919480 988724013 /nfs/dbraw/zinc/72/40/13/988724013.db2.gz NINLNVKXPLGNEA-MOLYVOAJSA-N 2 1 208.349 1.715 20 0 BDADMP c1ccc2c(c1)CCC([N@@H+]1C[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246922700 988741712 /nfs/dbraw/zinc/74/17/12/988741712.db2.gz WMYBHRZRIXDKQB-HOCLYGCPSA-N 2 1 242.366 1.838 20 0 BDADMP c1ccc2c(c1)CCC([N@H+]1C[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246922700 988741729 /nfs/dbraw/zinc/74/17/29/988741729.db2.gz WMYBHRZRIXDKQB-HOCLYGCPSA-N 2 1 242.366 1.838 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCc3c(N)cccc3C2)CC[NH2+]1 ZINC001246942133 988772856 /nfs/dbraw/zinc/77/28/56/988772856.db2.gz XJRZNCUQVJORQF-WCQYABFASA-N 2 1 245.370 1.767 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCc3c(N)cccc3C2)CC[NH2+]1 ZINC001246942126 988775790 /nfs/dbraw/zinc/77/57/90/988775790.db2.gz XJRZNCUQVJORQF-AAEUAGOBSA-N 2 1 245.370 1.767 20 0 BDADMP CCC[NH+]1C[C@@H]2C[NH+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246940089 988775959 /nfs/dbraw/zinc/77/59/59/988775959.db2.gz IDDCERKFGRMGPV-CHWSQXEVSA-N 3 1 237.391 1.012 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([N@H+]1C[C@@H]3CC[C@H]1CN3)C2 ZINC001246946088 988782070 /nfs/dbraw/zinc/78/20/70/988782070.db2.gz ZUEFBUOHPZSCMD-ZQDZILKHSA-N 2 1 249.402 1.345 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246971946 988798133 /nfs/dbraw/zinc/79/81/33/988798133.db2.gz AYOFFTFWUIUKGR-LBPRGKRZSA-N 3 1 239.407 1.591 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246971946 988798143 /nfs/dbraw/zinc/79/81/43/988798143.db2.gz AYOFFTFWUIUKGR-LBPRGKRZSA-N 3 1 239.407 1.591 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001246974805 988803148 /nfs/dbraw/zinc/80/31/48/988803148.db2.gz RFGMFUGZESWZIX-NWDGAFQWSA-N 2 1 213.369 1.140 20 0 BDADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246976476 988806525 /nfs/dbraw/zinc/80/65/25/988806525.db2.gz QQFJMVGSLABXJS-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246976476 988806528 /nfs/dbraw/zinc/80/65/28/988806528.db2.gz QQFJMVGSLABXJS-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP CC[NH+]1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246981481 988810692 /nfs/dbraw/zinc/81/06/92/988810692.db2.gz WYJYSUABUMRQQP-JZAZDWQXSA-N 2 1 249.402 1.153 20 0 BDADMP CCN1C[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246981481 988810695 /nfs/dbraw/zinc/81/06/95/988810695.db2.gz WYJYSUABUMRQQP-JZAZDWQXSA-N 2 1 249.402 1.153 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)[C@H]1CCc2ncsc2C1 ZINC001246980028 988811041 /nfs/dbraw/zinc/81/10/41/988811041.db2.gz GZXJPBAPVOBVFZ-UWVGGRQHSA-N 2 1 239.388 1.670 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H]1CCc2ncsc2C1 ZINC001246980028 988811045 /nfs/dbraw/zinc/81/10/45/988811045.db2.gz GZXJPBAPVOBVFZ-UWVGGRQHSA-N 2 1 239.388 1.670 20 0 BDADMP CC(C)CC[C@@H](C)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990290 988819142 /nfs/dbraw/zinc/81/91/42/988819142.db2.gz PZNBLHXWQXEKSK-NEPJUHHUSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)CC[C@@H](C)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990290 988819151 /nfs/dbraw/zinc/81/91/51/988819151.db2.gz PZNBLHXWQXEKSK-NEPJUHHUSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990290 988819155 /nfs/dbraw/zinc/81/91/55/988819155.db2.gz PZNBLHXWQXEKSK-NEPJUHHUSA-N 2 1 226.364 1.471 20 0 BDADMP C1=C2NCC[N@@H+]([C@H]3CCC[NH2+]CC3)[C@@H]2CCC1 ZINC001246991788 988824022 /nfs/dbraw/zinc/82/40/22/988824022.db2.gz BXILAIFYMRCFRO-GXTWGEPZSA-N 2 1 235.375 1.470 20 0 BDADMP C1=C2NCC[N@H+]([C@H]3CCC[NH2+]CC3)[C@@H]2CCC1 ZINC001246991788 988824025 /nfs/dbraw/zinc/82/40/25/988824025.db2.gz BXILAIFYMRCFRO-GXTWGEPZSA-N 2 1 235.375 1.470 20 0 BDADMP C1[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@H]12 ZINC001247016330 988843796 /nfs/dbraw/zinc/84/37/96/988843796.db2.gz SVCDSQYKCLOQOZ-PDWCTOEPSA-N 2 1 220.360 1.859 20 0 BDADMP C1[C@@H]2C[C@@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@H]12 ZINC001247016330 988843800 /nfs/dbraw/zinc/84/38/00/988843800.db2.gz SVCDSQYKCLOQOZ-PDWCTOEPSA-N 2 1 220.360 1.859 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCC3CC3)CC[C@@H]21 ZINC001119317385 988936709 /nfs/dbraw/zinc/93/67/09/988936709.db2.gz LYQKQENWBJVRSS-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCC3CC3)CC[C@@H]21 ZINC001119317385 988936720 /nfs/dbraw/zinc/93/67/20/988936720.db2.gz LYQKQENWBJVRSS-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCC3CC3)CC[C@@H]21 ZINC001119317385 988936731 /nfs/dbraw/zinc/93/67/31/988936731.db2.gz LYQKQENWBJVRSS-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCC3CC3)CC[C@@H]21 ZINC001119317385 988936742 /nfs/dbraw/zinc/93/67/42/988936742.db2.gz LYQKQENWBJVRSS-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC001247692716 988986320 /nfs/dbraw/zinc/98/63/20/988986320.db2.gz FSHSJMXPBPBHRA-NSHDSACASA-N 2 1 246.314 1.865 20 0 BDADMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1F ZINC001325273222 989137686 /nfs/dbraw/zinc/13/76/86/989137686.db2.gz QJHSFKJCPKFEHK-BDAKNGLRSA-N 2 1 226.295 1.660 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccccc1OC ZINC001325320407 989152646 /nfs/dbraw/zinc/15/26/46/989152646.db2.gz PVYPMSFAUBWVEQ-NSHDSACASA-N 2 1 222.332 1.783 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC2CC2)CC[C@@H]1C[NH3+] ZINC001119617604 989244308 /nfs/dbraw/zinc/24/43/08/989244308.db2.gz RQYCABCLNZTJKD-DGCLKSJQSA-N 2 1 226.364 1.330 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/C1CC1 ZINC001119705794 989351908 /nfs/dbraw/zinc/35/19/08/989351908.db2.gz ZDQLTUUXPJQURK-ALDRUPGHSA-N 2 1 220.360 1.882 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccnn1C(C)C ZINC001326074601 989364128 /nfs/dbraw/zinc/36/41/28/989364128.db2.gz FZGQXCJXXPVVLG-LLVKDONJSA-N 2 1 224.352 1.552 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOC2CC2)CC1 ZINC001119850794 989443060 /nfs/dbraw/zinc/44/30/60/989443060.db2.gz CFLMANCGTBXETA-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@@H+](CCNC(=O)CCCC[NH2+]C)C(C)C ZINC001521468948 989713166 /nfs/dbraw/zinc/71/31/66/989713166.db2.gz AWGGWJORAMYCOW-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP CCCC[N@@H+](C)CCNc1cc(N)ncn1 ZINC001120814543 989897661 /nfs/dbraw/zinc/89/76/61/989897661.db2.gz CCMGIPVJOKJZLE-UHFFFAOYSA-N 2 1 223.324 1.203 20 0 BDADMP CCCC[N@H+](C)CCNc1cc(N)[nH+]cn1 ZINC001120814543 989897663 /nfs/dbraw/zinc/89/76/63/989897663.db2.gz CCMGIPVJOKJZLE-UHFFFAOYSA-N 2 1 223.324 1.203 20 0 BDADMP CCCC[N@@H+](C)CCNc1cc(N)[nH+]cn1 ZINC001120814543 989897665 /nfs/dbraw/zinc/89/76/65/989897665.db2.gz CCMGIPVJOKJZLE-UHFFFAOYSA-N 2 1 223.324 1.203 20 0 BDADMP Nc1nc(NC2CC[NH+](C3CCC3)CC2)cc[nH+]1 ZINC001120856330 989923770 /nfs/dbraw/zinc/92/37/70/989923770.db2.gz QOCFNYQOOBCPSR-UHFFFAOYSA-N 2 1 247.346 1.488 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1ccco1 ZINC001258181296 991085013 /nfs/dbraw/zinc/08/50/13/991085013.db2.gz MKNWUJUCMDNPSY-GHMZBOCLSA-N 2 1 210.321 1.737 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)[C@H]1CCCO1 ZINC001308984903 991252683 /nfs/dbraw/zinc/25/26/83/991252683.db2.gz QFHXKHLBJGQZKT-RYMFRWLXSA-N 2 1 238.375 1.484 20 0 BDADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139470333 991256077 /nfs/dbraw/zinc/25/60/77/991256077.db2.gz QEBDBVYXYLXXIW-STQMWFEESA-N 2 1 247.342 1.171 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(=O)[nH]c3)C[C@H]2C1 ZINC001139470331 991259482 /nfs/dbraw/zinc/25/94/82/991259482.db2.gz QEBDBVYXYLXXIW-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139470331 991259499 /nfs/dbraw/zinc/25/94/99/991259499.db2.gz QEBDBVYXYLXXIW-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139470331 991259513 /nfs/dbraw/zinc/25/95/13/991259513.db2.gz QEBDBVYXYLXXIW-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139470331 991259522 /nfs/dbraw/zinc/25/95/22/991259522.db2.gz QEBDBVYXYLXXIW-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139470331 991259534 /nfs/dbraw/zinc/25/95/34/991259534.db2.gz QEBDBVYXYLXXIW-BETUJISGSA-N 2 1 247.342 1.171 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001258363284 991303556 /nfs/dbraw/zinc/30/35/56/991303556.db2.gz GASULRMQYAWXKX-SRVKXCTJSA-N 2 1 242.363 1.258 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001258363284 991303568 /nfs/dbraw/zinc/30/35/68/991303568.db2.gz GASULRMQYAWXKX-SRVKXCTJSA-N 2 1 242.363 1.258 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H](C)CC1CC1 ZINC001258450060 991397009 /nfs/dbraw/zinc/39/70/09/991397009.db2.gz FEOHPMHTLFMXHW-ZYHUDNBSSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H](CC1CC1)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001258453644 991404057 /nfs/dbraw/zinc/40/40/57/991404057.db2.gz DODFYMDSTDXSPO-RISCZKNCSA-N 2 1 237.391 1.188 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258501019 991470564 /nfs/dbraw/zinc/47/05/64/991470564.db2.gz KZAQEPDJXFAQTC-UHFFFAOYSA-N 2 1 247.386 1.982 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCSCC3)[C@@H]2C1 ZINC001560623513 991524030 /nfs/dbraw/zinc/52/40/30/991524030.db2.gz ZPRGEOYSTALLFM-CYZMBNFOSA-N 2 1 240.416 1.812 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC001561021936 991690881 /nfs/dbraw/zinc/69/08/81/991690881.db2.gz BWHOJGQMMOXZBO-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001258772417 991741530 /nfs/dbraw/zinc/74/15/30/991741530.db2.gz QAIXMNDVWKQBEW-ZIAGYGMSSA-N 2 1 238.375 1.724 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001258772417 991741543 /nfs/dbraw/zinc/74/15/43/991741543.db2.gz QAIXMNDVWKQBEW-ZIAGYGMSSA-N 2 1 238.375 1.724 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001258907039 991896910 /nfs/dbraw/zinc/89/69/10/991896910.db2.gz DIJXSAWTJPOAJJ-MELADBBJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC001319751995 991959571 /nfs/dbraw/zinc/95/95/71/991959571.db2.gz QFMAKHOOUNFWMF-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CCC[C@H](CN[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001319751995 991959581 /nfs/dbraw/zinc/95/95/81/991959581.db2.gz QFMAKHOOUNFWMF-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CCC[C@H](CN[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001319751995 991959588 /nfs/dbraw/zinc/95/95/88/991959588.db2.gz QFMAKHOOUNFWMF-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC001319751995 991959600 /nfs/dbraw/zinc/95/96/00/991959600.db2.gz QFMAKHOOUNFWMF-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC001319751995 991959618 /nfs/dbraw/zinc/95/96/18/991959618.db2.gz QFMAKHOOUNFWMF-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001319751994 991964121 /nfs/dbraw/zinc/96/41/21/991964121.db2.gz QFMAKHOOUNFWMF-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CCC[C@H](CN[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001319751994 991964132 /nfs/dbraw/zinc/96/41/32/991964132.db2.gz QFMAKHOOUNFWMF-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CCC[C@H](CN[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001319751994 991964148 /nfs/dbraw/zinc/96/41/48/991964148.db2.gz QFMAKHOOUNFWMF-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC001319751994 991964159 /nfs/dbraw/zinc/96/41/59/991964159.db2.gz QFMAKHOOUNFWMF-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC001319751994 991964182 /nfs/dbraw/zinc/96/41/82/991964182.db2.gz QFMAKHOOUNFWMF-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)[C@@H]1CC1(F)F ZINC001474757333 992528944 /nfs/dbraw/zinc/52/89/44/992528944.db2.gz UVXAZTYAPGTOLK-MTVMDMGHSA-N 2 1 244.329 1.960 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CO1 ZINC001474757324 992529498 /nfs/dbraw/zinc/52/94/98/992529498.db2.gz UVJYTIDRWGXOPP-UJPOAAIJSA-N 2 1 224.348 1.094 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC001262012190 992599112 /nfs/dbraw/zinc/59/91/12/992599112.db2.gz NYELIDKHUZHIKJ-QWHCGFSZSA-N 2 1 238.375 1.582 20 0 BDADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCC1 ZINC001262012190 992599119 /nfs/dbraw/zinc/59/91/19/992599119.db2.gz NYELIDKHUZHIKJ-QWHCGFSZSA-N 2 1 238.375 1.582 20 0 BDADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCC1 ZINC001262012190 992599127 /nfs/dbraw/zinc/59/91/27/992599127.db2.gz NYELIDKHUZHIKJ-QWHCGFSZSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)(C)O[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC001573469845 992615365 /nfs/dbraw/zinc/61/53/65/992615365.db2.gz YWBIIIZGAKRQGH-DCAQKATOSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H]1CC[C@H](NCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001573640353 992661996 /nfs/dbraw/zinc/66/19/96/992661996.db2.gz HPWGUUNXUOPXPS-ZFWWWQNUSA-N 2 1 247.386 1.588 20 0 BDADMP [NH3+]C1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC001574270727 992835122 /nfs/dbraw/zinc/83/51/22/992835122.db2.gz PRQUVGBARBUAOL-UHFFFAOYSA-N 2 1 245.370 1.884 20 0 BDADMP C([N@H+]1CC[C@H]2C[NH2+]C[C@H]21)C12CCC(CC1)C2 ZINC001574795802 992910647 /nfs/dbraw/zinc/91/06/47/992910647.db2.gz PZUMMHAAOFKCTB-YIFLHPOLSA-N 2 1 220.360 1.860 20 0 BDADMP C(C1C[NH2+]C1)[N@@H+]1CCOCC12CCCCC2 ZINC001574800915 992913731 /nfs/dbraw/zinc/91/37/31/992913731.db2.gz LHYHGDAQCYOVGC-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C(C1C[NH2+]C1)[N@H+]1CCOCC12CCCCC2 ZINC001574800915 992913742 /nfs/dbraw/zinc/91/37/42/992913742.db2.gz LHYHGDAQCYOVGC-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574817103 992922543 /nfs/dbraw/zinc/92/25/43/992922543.db2.gz RBEIZCVXEMCOCY-TUAOUCFPSA-N 2 1 226.389 1.281 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1cc[nH+]cc1 ZINC001262686405 993027101 /nfs/dbraw/zinc/02/71/01/993027101.db2.gz IVPZJJQCKCSVPF-GXFFZTMASA-N 2 1 217.316 1.398 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001575422869 993039823 /nfs/dbraw/zinc/03/98/23/993039823.db2.gz NSWVZKFVWTVERJ-REWJHTLYSA-N 3 1 239.407 1.147 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001575422869 993039833 /nfs/dbraw/zinc/03/98/33/993039833.db2.gz NSWVZKFVWTVERJ-REWJHTLYSA-N 2 1 239.407 1.147 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001575422869 993039839 /nfs/dbraw/zinc/03/98/39/993039839.db2.gz NSWVZKFVWTVERJ-REWJHTLYSA-N 2 1 239.407 1.147 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC[C@@H]1CCO1 ZINC001575453932 993046516 /nfs/dbraw/zinc/04/65/16/993046516.db2.gz XPHKLHDWOYFACY-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001575473613 993053633 /nfs/dbraw/zinc/05/36/33/993053633.db2.gz VNXYIORVCIEOFY-JHJVBQTASA-N 2 1 228.380 1.310 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC001575618296 993086680 /nfs/dbraw/zinc/08/66/80/993086680.db2.gz DGPNVFMHJGSFLE-KBPBESRZSA-N 2 1 241.423 1.552 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH2+][C@H]2C[C@H]21 ZINC001575699298 993097513 /nfs/dbraw/zinc/09/75/13/993097513.db2.gz DJRVDCKPRPRKQR-HZSPNIEDSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC001575961250 993140768 /nfs/dbraw/zinc/14/07/68/993140768.db2.gz CRHFXJDIEHNSOD-OPRDCNLKSA-N 2 1 208.309 1.216 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001576155720 993196565 /nfs/dbraw/zinc/19/65/65/993196565.db2.gz BRGHRLKSFTWQRP-KGYLQXTDSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001576155720 993196568 /nfs/dbraw/zinc/19/65/68/993196568.db2.gz BRGHRLKSFTWQRP-KGYLQXTDSA-N 2 1 226.364 1.207 20 0 BDADMP COC(C)(C)CC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000378675954 993199044 /nfs/dbraw/zinc/19/90/44/993199044.db2.gz PCFGRGFAEHVXGW-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)nc1 ZINC000379199687 993230084 /nfs/dbraw/zinc/23/00/84/993230084.db2.gz KLMGCBSQECNGOY-CYBMUJFWSA-N 2 1 233.359 1.957 20 0 BDADMP CCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)nc1 ZINC000379199687 993230092 /nfs/dbraw/zinc/23/00/92/993230092.db2.gz KLMGCBSQECNGOY-CYBMUJFWSA-N 2 1 233.359 1.957 20 0 BDADMP CC(C)C[NH+]1CCC(NCC2C[NH+](C)C2)CC1 ZINC000379480282 993250350 /nfs/dbraw/zinc/25/03/50/993250350.db2.gz SYDFXWWYQVFIDG-UHFFFAOYSA-N 2 1 239.407 1.258 20 0 BDADMP C[N@H+]1CC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC000379802500 993280703 /nfs/dbraw/zinc/28/07/03/993280703.db2.gz KUAKXKOXGLLNIE-GFCCVEGCSA-N 2 1 206.289 1.228 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576395108 993295696 /nfs/dbraw/zinc/29/56/96/993295696.db2.gz XVXBCHYKXDKOPO-QJPTWQEYSA-N 2 1 226.364 1.207 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC000379936048 993300028 /nfs/dbraw/zinc/30/00/28/993300028.db2.gz XIHSAGLUKUFPAT-RYUDHWBXSA-N 2 1 228.405 1.943 20 0 BDADMP CC1(C)CC[C@@H](O)[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001576446675 993309312 /nfs/dbraw/zinc/30/93/12/993309312.db2.gz YMWPGHCHVFWSJJ-QJPTWQEYSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@]1(C[N@@H+]2CCC[C@H]([NH3+])C2)CCCCO1 ZINC001576503649 993324475 /nfs/dbraw/zinc/32/44/75/993324475.db2.gz UNDLASACFVSSAU-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H]([NH3+])C2)CCCCO1 ZINC001576503649 993324479 /nfs/dbraw/zinc/32/44/79/993324479.db2.gz UNDLASACFVSSAU-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@]1(CO)CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001576525833 993329394 /nfs/dbraw/zinc/32/93/94/993329394.db2.gz ITDNAVDURJHDFI-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H]([NH3+])CCC(C)(C)C ZINC001576572453 993349541 /nfs/dbraw/zinc/34/95/41/993349541.db2.gz LOHLKVNSKYKUKV-JHJVBQTASA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H]([NH3+])CCC(C)(C)C ZINC001576572453 993349544 /nfs/dbraw/zinc/34/95/44/993349544.db2.gz LOHLKVNSKYKUKV-JHJVBQTASA-N 2 1 242.407 1.843 20 0 BDADMP C[C@H]1[C@H](CO)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573618 993349770 /nfs/dbraw/zinc/34/97/70/993349770.db2.gz SRJRBWFCJSGPEC-ZDEQEGDKSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H]1C[C@@H](CO)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576596865 993361452 /nfs/dbraw/zinc/36/14/52/993361452.db2.gz BEFKNWCDHXYQAJ-WUHRBBMRSA-N 2 1 226.364 1.064 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)CC1CCC1 ZINC000381034161 993364692 /nfs/dbraw/zinc/36/46/92/993364692.db2.gz DWPNMDLAXPXXPY-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC000381323903 993386182 /nfs/dbraw/zinc/38/61/82/993386182.db2.gz QBRFFFWPUSBYNZ-FRRDWIJNSA-N 2 1 228.380 1.730 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)CS1 ZINC001576666291 993386470 /nfs/dbraw/zinc/38/64/70/993386470.db2.gz KSJOKPULFQYUNU-OUAUKWLOSA-N 2 1 228.405 1.858 20 0 BDADMP C[C@@H]1CCC[N@H+](CC2=NOCC2)[C@@H]1CC[NH3+] ZINC001576704066 993400534 /nfs/dbraw/zinc/40/05/34/993400534.db2.gz LDBGYUILYKTFQS-ZYHUDNBSSA-N 2 1 225.336 1.212 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2=NOCC2)[C@@H]1CC[NH3+] ZINC001576704066 993400537 /nfs/dbraw/zinc/40/05/37/993400537.db2.gz LDBGYUILYKTFQS-ZYHUDNBSSA-N 2 1 225.336 1.212 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@]1(C)CO ZINC001576800573 993427369 /nfs/dbraw/zinc/42/73/69/993427369.db2.gz KHOQLFUDCWQQGV-HZSPNIEDSA-N 2 1 240.391 1.326 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001576806509 993427595 /nfs/dbraw/zinc/42/75/95/993427595.db2.gz GMHQTLMTTJWVMS-MHDGFBEUSA-N 2 1 238.375 1.341 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001576806509 993427598 /nfs/dbraw/zinc/42/75/98/993427598.db2.gz GMHQTLMTTJWVMS-MHDGFBEUSA-N 2 1 238.375 1.341 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@H]1CCC[N@H+]1C ZINC001576880932 993441425 /nfs/dbraw/zinc/44/14/25/993441425.db2.gz JINGOSIPRBEJIL-MROQNXINSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576904243 993451457 /nfs/dbraw/zinc/45/14/57/993451457.db2.gz SSUTZNQPOVTHAN-IALDZJHCSA-N 2 1 224.348 1.367 20 0 BDADMP CC[C@H](C)[C@H](C[N@H+](C)C1(C[NH3+])CCC1)OC ZINC001576960459 993466767 /nfs/dbraw/zinc/46/67/67/993466767.db2.gz DSABLPTUQOXCSN-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@H](C)[C@H](C[N@@H+](C)C1(C[NH3+])CCC1)OC ZINC001576960459 993466771 /nfs/dbraw/zinc/46/67/71/993466771.db2.gz DSABLPTUQOXCSN-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001576966426 993468128 /nfs/dbraw/zinc/46/81/28/993468128.db2.gz IGWARFMTKWBBHM-IRCOFANPSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001576966426 993468132 /nfs/dbraw/zinc/46/81/32/993468132.db2.gz IGWARFMTKWBBHM-IRCOFANPSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@@H](C)[C@H](C[N@@H+](C)CCC[NH2+]C)OC ZINC001576960473 993468259 /nfs/dbraw/zinc/46/82/59/993468259.db2.gz DVXJZADGRIWVGR-NEPJUHHUSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@H](C[C@@H](C)CO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001577044133 993487476 /nfs/dbraw/zinc/48/74/76/993487476.db2.gz OZOBNUHEZSCTTA-OPRDCNLKSA-N 2 1 238.322 1.356 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000384018753 993533882 /nfs/dbraw/zinc/53/38/82/993533882.db2.gz PLYCDUHNMDRDJI-PTEHBNRSSA-N 2 1 237.347 1.737 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)[C@@H]1C ZINC001577263203 993573905 /nfs/dbraw/zinc/57/39/05/993573905.db2.gz OGNWVQCGPKHXTE-LPWJVIDDSA-N 2 1 208.349 1.716 20 0 BDADMP CCC[C@](C)(O)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577330772 993597446 /nfs/dbraw/zinc/59/74/46/993597446.db2.gz GDIXVFIBCGSTPU-BDAKNGLRSA-N 2 1 242.285 1.407 20 0 BDADMP CCC[C@@H](C)[C@H](CO)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001577335786 993598264 /nfs/dbraw/zinc/59/82/64/993598264.db2.gz BQMPXZRKZOEZEC-UTUOFQBUSA-N 2 1 214.353 1.125 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC001577368919 993622778 /nfs/dbraw/zinc/62/27/78/993622778.db2.gz LTHJJMCRQMQVBL-NWDGAFQWSA-N 2 1 214.353 1.351 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001577370366 993630777 /nfs/dbraw/zinc/63/07/77/993630777.db2.gz YXPUCMUFBOSCLI-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCOc1ccccc1 ZINC000385064982 993648157 /nfs/dbraw/zinc/64/81/57/993648157.db2.gz BQJMMHFYWNYCEU-UHFFFAOYSA-N 2 1 222.332 1.736 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001577444872 993661555 /nfs/dbraw/zinc/66/15/55/993661555.db2.gz HKDIGEMHYABWTE-GRYCIOLGSA-N 2 1 243.395 1.206 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH2+]C ZINC001577445416 993663964 /nfs/dbraw/zinc/66/39/64/993663964.db2.gz RRIITTALJGQOLB-VXGBXAGGSA-N 2 1 243.395 1.221 20 0 BDADMP CCCC[N@@H+](CCCO)CC1(C[NH3+])CCC1 ZINC001577454601 993668896 /nfs/dbraw/zinc/66/88/96/993668896.db2.gz KXVFYTPWZPFVAG-UHFFFAOYSA-N 2 1 228.380 1.600 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC001577510325 993675105 /nfs/dbraw/zinc/67/51/05/993675105.db2.gz KFTDRRVJXOJXFQ-RYUDHWBXSA-N 2 1 243.395 1.079 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001577510249 993677988 /nfs/dbraw/zinc/67/79/88/993677988.db2.gz HKULHHNMDDQFAJ-QJPTWQEYSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@H+]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC001577533252 993681233 /nfs/dbraw/zinc/68/12/33/993681233.db2.gz BQUGCWJXLSYCJP-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP CCCn1nc(C)c(C[NH2+]CC2C[NH2+]C2)c1C ZINC001577624681 993699426 /nfs/dbraw/zinc/69/94/26/993699426.db2.gz GTVZEAGBEHWTJY-UHFFFAOYSA-N 2 1 236.363 1.219 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCCC[C@H](C[NH3+])C2)C1 ZINC000390620860 993801112 /nfs/dbraw/zinc/80/11/12/993801112.db2.gz FPHNWTTUARZAMJ-OLZOCXBDSA-N 2 1 225.380 1.141 20 0 BDADMP CN1CCC[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC000390620860 993801115 /nfs/dbraw/zinc/80/11/15/993801115.db2.gz FPHNWTTUARZAMJ-OLZOCXBDSA-N 2 1 225.380 1.141 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC000390620860 993801120 /nfs/dbraw/zinc/80/11/20/993801120.db2.gz FPHNWTTUARZAMJ-OLZOCXBDSA-N 2 1 225.380 1.141 20 0 BDADMP OCCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC000700378461 993832292 /nfs/dbraw/zinc/83/22/92/993832292.db2.gz PJZDZHIKQXHTSX-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP CCCO[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000701663360 993896723 /nfs/dbraw/zinc/89/67/23/993896723.db2.gz MWEYIHZUGWXTFW-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP CCCO[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000701663361 993898300 /nfs/dbraw/zinc/89/83/00/993898300.db2.gz MWEYIHZUGWXTFW-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC[NH+]2CCCC2)C1 ZINC000393264404 993922085 /nfs/dbraw/zinc/92/20/85/993922085.db2.gz MJWUULFHIOAWEK-CYBMUJFWSA-N 2 1 225.380 1.156 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cncs2)C1 ZINC000393744476 993994071 /nfs/dbraw/zinc/99/40/71/993994071.db2.gz NNKREVOZOMUKKM-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cncs2)C1 ZINC000393744476 993994086 /nfs/dbraw/zinc/99/40/86/993994086.db2.gz NNKREVOZOMUKKM-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cnccn2)C1 ZINC000393799428 994008880 /nfs/dbraw/zinc/00/88/80/994008880.db2.gz OHCABPMTOSPEGD-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cnccn2)C1 ZINC000393799428 994008892 /nfs/dbraw/zinc/00/88/92/994008892.db2.gz OHCABPMTOSPEGD-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)([NH3+])C2)C[C@H](C)O1 ZINC000724384096 994067333 /nfs/dbraw/zinc/06/73/33/994067333.db2.gz LZWGATGDWGEILR-RNJOBUHISA-N 2 1 226.364 1.613 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H]([NH2+]CC2(O)CCC2)C12CCC2 ZINC001335531578 994804415 /nfs/dbraw/zinc/80/44/15/994804415.db2.gz VNGOLIKYORZWNK-NEPJUHHUSA-N 2 1 238.375 1.364 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNc1nccnc1C[NH3+] ZINC001337772240 995218882 /nfs/dbraw/zinc/21/88/82/995218882.db2.gz QXUUTHZFWPMHRB-LLVKDONJSA-N 2 1 249.362 1.222 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307989850 995516401 /nfs/dbraw/zinc/51/64/01/995516401.db2.gz VLCFXRWZLTUUQN-FQUUOJAGSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307989850 995516408 /nfs/dbraw/zinc/51/64/08/995516408.db2.gz VLCFXRWZLTUUQN-FQUUOJAGSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307989850 995516413 /nfs/dbraw/zinc/51/64/13/995516413.db2.gz VLCFXRWZLTUUQN-FQUUOJAGSA-N 2 1 238.375 1.295 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175010116 365524347 /nfs/dbraw/zinc/52/43/47/365524347.db2.gz HEXHUPQEMQORSR-RYUDHWBXSA-N 2 1 236.363 1.383 20 0 BDADMP CCN(C)CC[NH2+]Cc1cncn1C(C)C ZINC000085188267 136211781 /nfs/dbraw/zinc/21/17/81/136211781.db2.gz CPKZLVOOAZXNKF-UHFFFAOYSA-N 2 1 224.352 1.505 20 0 BDADMP OCCC1(C[NH2+][C@H]2CCC[NH2+]C2)CCCC1 ZINC000415088679 398158690 /nfs/dbraw/zinc/15/86/90/398158690.db2.gz WRDXNNPDSHNEMB-LBPRGKRZSA-N 2 1 226.364 1.271 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC000389917344 398149568 /nfs/dbraw/zinc/14/95/68/398149568.db2.gz DIENIAJKCYESSW-JTQLQIEISA-N 2 1 236.306 1.076 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)on1 ZINC000335397025 178002026 /nfs/dbraw/zinc/00/20/26/178002026.db2.gz RMCKUGSVCQUNSP-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP C[C@@H](CO)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000161830805 538919476 /nfs/dbraw/zinc/91/94/76/538919476.db2.gz BHJFCOIOUHYUPB-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CCN1CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000415012874 398154452 /nfs/dbraw/zinc/15/44/52/398154452.db2.gz XWRGXYRPMPQELS-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175010128 365525378 /nfs/dbraw/zinc/52/53/78/365525378.db2.gz HEXHUPQEMQORSR-VXGBXAGGSA-N 2 1 236.363 1.383 20 0 BDADMP CCc1nocc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000645151228 398179337 /nfs/dbraw/zinc/17/93/37/398179337.db2.gz FBRANUKSLOCXEI-LLVKDONJSA-N 2 1 246.314 1.538 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000422944068 398160409 /nfs/dbraw/zinc/16/04/09/398160409.db2.gz RKVXBKUNNZGNCA-STQMWFEESA-N 2 1 238.306 1.674 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761278 398164927 /nfs/dbraw/zinc/16/49/27/398164927.db2.gz DSOJHEDKXKBNDA-IHRRRGAJSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[NH2+]CCN1c1cc[nH+]cc1Cl ZINC000086839825 398192312 /nfs/dbraw/zinc/19/23/12/398192312.db2.gz OALMDYXTSHOSOO-MRVPVSSYSA-N 2 1 211.696 1.533 20 0 BDADMP [NH3+][C@@H](CNc1cc[nH+]cc1Cl)C1CC1 ZINC000086841344 398192365 /nfs/dbraw/zinc/19/23/65/398192365.db2.gz YBDNTKGLYYOQKA-VIFPVBQESA-N 2 1 211.696 1.884 20 0 BDADMP CN1CC[N@@H+](C[C@@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000649412499 398214325 /nfs/dbraw/zinc/21/43/25/398214325.db2.gz PUEKYSFGXOAUQO-CYBMUJFWSA-N 2 1 245.370 1.548 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000386700750 398217375 /nfs/dbraw/zinc/21/73/75/398217375.db2.gz QIQOILHSNHJIDY-DRZSPHRISA-N 2 1 247.342 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000386700750 398217379 /nfs/dbraw/zinc/21/73/79/398217379.db2.gz QIQOILHSNHJIDY-DRZSPHRISA-N 2 1 247.342 1.259 20 0 BDADMP C[C@H]([NH3+])CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649413853 398211766 /nfs/dbraw/zinc/21/17/66/398211766.db2.gz MWSCNIXEZNRQCS-ZFWWWQNUSA-N 2 1 247.386 1.540 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000649413859 398211988 /nfs/dbraw/zinc/21/19/88/398211988.db2.gz NRBMPSOFPVMPGS-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649414408 398212810 /nfs/dbraw/zinc/21/28/10/398212810.db2.gz YHOCVMZEECCXPQ-KBPBESRZSA-N 2 1 239.407 1.260 20 0 BDADMP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431104131 398234898 /nfs/dbraw/zinc/23/48/98/398234898.db2.gz FIZISLZBTGYYCQ-IUCAKERBSA-N 2 1 238.335 1.636 20 0 BDADMP CCN1CCC[C@H]1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000092629324 398235841 /nfs/dbraw/zinc/23/58/41/398235841.db2.gz CXJNDUCQRLKIKA-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CCC[C@H]1CN(C)CC1CC[NH2+]CC1 ZINC000092629324 398235843 /nfs/dbraw/zinc/23/58/43/398235843.db2.gz CXJNDUCQRLKIKA-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)CC1CC[NH2+]CC1 ZINC000092629324 398235847 /nfs/dbraw/zinc/23/58/47/398235847.db2.gz CXJNDUCQRLKIKA-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CCN1CCC[C@H]1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000092633673 398235884 /nfs/dbraw/zinc/23/58/84/398235884.db2.gz CHRHIBKRUGNAOR-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CCC[C@H]1CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000092633673 398235886 /nfs/dbraw/zinc/23/58/86/398235886.db2.gz CHRHIBKRUGNAOR-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000092633673 398235888 /nfs/dbraw/zinc/23/58/88/398235888.db2.gz CHRHIBKRUGNAOR-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP Cc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccn1 ZINC000381276497 398249858 /nfs/dbraw/zinc/24/98/58/398249858.db2.gz XDAHMVGYSDLNDI-NSHDSACASA-N 2 1 221.348 1.820 20 0 BDADMP Cc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccn1 ZINC000381276490 398249924 /nfs/dbraw/zinc/24/99/24/398249924.db2.gz XDAHMVGYSDLNDI-LLVKDONJSA-N 2 1 221.348 1.820 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576703096 365662593 /nfs/dbraw/zinc/66/25/93/365662593.db2.gz AMWOUYPHNRKBAS-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000381543972 398262386 /nfs/dbraw/zinc/26/23/86/398262386.db2.gz JIIGLTRAFJCVOM-JHJVBQTASA-N 2 1 208.349 1.718 20 0 BDADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCOC1 ZINC000344330987 365683449 /nfs/dbraw/zinc/68/34/49/365683449.db2.gz OIQVDRRYAOOOLT-KGLIPLIRSA-N 2 1 238.375 1.653 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000180094971 538957529 /nfs/dbraw/zinc/95/75/29/538957529.db2.gz VJEMVTGJPKFKFR-PWSUYJOCSA-N 2 1 248.374 1.853 20 0 BDADMP C[NH2+]CCCN(C)Cc1cc(OC)cc(C)[nH+]1 ZINC000214127789 349612818 /nfs/dbraw/zinc/61/28/18/349612818.db2.gz FWUJHHQDMPRJGW-UHFFFAOYSA-N 2 1 237.347 1.440 20 0 BDADMP CCC[NH+]1CCC(N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671749 538972325 /nfs/dbraw/zinc/97/23/25/538972325.db2.gz AAUUYEYZWOATCV-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040671749 538972327 /nfs/dbraw/zinc/97/23/27/538972327.db2.gz AAUUYEYZWOATCV-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000381759659 539007285 /nfs/dbraw/zinc/00/72/85/539007285.db2.gz TULMXPDUFWDLFW-RYUDHWBXSA-N 2 1 224.348 1.382 20 0 BDADMP CCCC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000390751332 539027206 /nfs/dbraw/zinc/02/72/06/539027206.db2.gz CWCHVRWKEAXQOC-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@H](CF)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000389903358 539018418 /nfs/dbraw/zinc/01/84/18/539018418.db2.gz FNVFFDMUBYGLJA-SNVBAGLBSA-N 2 1 214.328 1.808 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252783271 398303348 /nfs/dbraw/zinc/30/33/48/398303348.db2.gz SPJDVLDEMCRTLK-DMDPSCGWSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@H]1CCOC1 ZINC000300361420 259326883 /nfs/dbraw/zinc/32/68/83/259326883.db2.gz DLPNGUFMUNWONJ-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000352608455 398322071 /nfs/dbraw/zinc/32/20/71/398322071.db2.gz LGRVGXLCCYXJOZ-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351482148 136246124 /nfs/dbraw/zinc/24/61/24/136246124.db2.gz ZEYLLXFXAUNSGR-FPMFFAJLSA-N 2 1 231.343 1.438 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000392917669 398335993 /nfs/dbraw/zinc/33/59/93/398335993.db2.gz CDNPADQLWGJXCY-UHFFFAOYSA-N 2 1 246.354 1.530 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917809 398335310 /nfs/dbraw/zinc/33/53/10/398335310.db2.gz XPNLBAOBDMKBDB-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CCOc1ccc([C@H](C)[NH2+]CCN)cc1 ZINC000037712455 342943754 /nfs/dbraw/zinc/94/37/54/342943754.db2.gz UDFBRWRYNHIEHI-JTQLQIEISA-N 2 1 208.305 1.695 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000300425471 398344653 /nfs/dbraw/zinc/34/46/53/398344653.db2.gz ZBTCGFHPWPIASL-DUJLVANISA-N 2 1 238.375 1.769 20 0 BDADMP CC(C)CCOCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313363529 259333777 /nfs/dbraw/zinc/33/37/77/259333777.db2.gz YWJNWWNCEBDOQN-ZDUSSCGKSA-N 2 1 244.379 1.099 20 0 BDADMP CC(C)CCOCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313363529 259333779 /nfs/dbraw/zinc/33/37/79/259333779.db2.gz YWJNWWNCEBDOQN-ZDUSSCGKSA-N 2 1 244.379 1.099 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCCCF)CCCO1 ZINC000313395537 259334434 /nfs/dbraw/zinc/33/44/34/259334434.db2.gz PJINBJWKTMQZJZ-LLVKDONJSA-N 2 1 218.316 1.176 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCC2)CCCO1 ZINC000313391360 259334274 /nfs/dbraw/zinc/33/42/74/259334274.db2.gz UVJWEAOTHRPQDN-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000020360442 342983527 /nfs/dbraw/zinc/98/35/27/342983527.db2.gz HSWDSMMNHMXXLV-UHFFFAOYSA-N 2 1 235.375 1.988 20 0 BDADMP CSC1(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000235256173 342999667 /nfs/dbraw/zinc/99/96/67/342999667.db2.gz RHOSTCIIEVJPDV-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H](O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000562746405 323029886 /nfs/dbraw/zinc/02/98/86/323029886.db2.gz HDPUDQOASUMIKH-AAVRWANBSA-N 2 1 240.391 1.467 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000136082937 323030928 /nfs/dbraw/zinc/03/09/28/323030928.db2.gz SMSPIVDHTJKIPH-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cnn1C ZINC000576823415 365695159 /nfs/dbraw/zinc/69/51/59/365695159.db2.gz RAZWEJXNZROOPX-YUMQZZPRSA-N 2 1 230.743 1.289 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314832126 259345520 /nfs/dbraw/zinc/34/55/20/259345520.db2.gz FWPSHZKHOZJLFT-CHWSQXEVSA-N 2 1 237.347 1.510 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000383532137 362031009 /nfs/dbraw/zinc/03/10/09/362031009.db2.gz RGVKYRWUXGGQIG-MNOVXSKESA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000383532137 362031014 /nfs/dbraw/zinc/03/10/14/362031014.db2.gz RGVKYRWUXGGQIG-MNOVXSKESA-N 2 1 235.331 1.259 20 0 BDADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H](C)COC ZINC000310010808 343146023 /nfs/dbraw/zinc/14/60/23/343146023.db2.gz IODCGGZBWJKYOA-CHWSQXEVSA-N 2 1 230.396 1.979 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H](C)COC ZINC000310010808 343146026 /nfs/dbraw/zinc/14/60/26/343146026.db2.gz IODCGGZBWJKYOA-CHWSQXEVSA-N 2 1 230.396 1.979 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000576881306 365712825 /nfs/dbraw/zinc/71/28/25/365712825.db2.gz YULQIDGKPCZJJC-CABCVRRESA-N 2 1 248.370 1.446 20 0 BDADMP CC1CC[NH+](CCN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093215421 343150847 /nfs/dbraw/zinc/15/08/47/343150847.db2.gz QPQRYNBTQJTFQN-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000093214229 343150965 /nfs/dbraw/zinc/15/09/65/343150965.db2.gz NYXRRGMRAVJIGN-AAEUAGOBSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000124538913 343162703 /nfs/dbraw/zinc/16/27/03/343162703.db2.gz VRNUFPBQMMVNIJ-MFKMUULPSA-N 2 1 247.342 1.097 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000124538913 343162706 /nfs/dbraw/zinc/16/27/06/343162706.db2.gz VRNUFPBQMMVNIJ-MFKMUULPSA-N 2 1 247.342 1.097 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000124526039 343163006 /nfs/dbraw/zinc/16/30/06/343163006.db2.gz WXYQMFJHQZTXEE-GXFFZTMASA-N 2 1 247.342 1.097 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000135257473 343192956 /nfs/dbraw/zinc/19/29/56/343192956.db2.gz QTDLVWRHTABBGY-LLVKDONJSA-N 2 1 230.315 1.309 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC3CCC2(C[NH3+])CC3)O1 ZINC000634687867 343244834 /nfs/dbraw/zinc/24/48/34/343244834.db2.gz BMXCLWUDNCMBDQ-NELGMTEASA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC3CCC2(C[NH3+])CC3)O1 ZINC000634687867 343244837 /nfs/dbraw/zinc/24/48/37/343244837.db2.gz BMXCLWUDNCMBDQ-NELGMTEASA-N 2 1 238.375 1.757 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)O1 ZINC000634688538 343249115 /nfs/dbraw/zinc/24/91/15/343249115.db2.gz VVAOQCYLSOQWDY-RFQIPJPRSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000035112653 343284958 /nfs/dbraw/zinc/28/49/58/343284958.db2.gz DGIZFRREMPSBEF-AWEZNQCLSA-N 2 1 234.343 1.404 20 0 BDADMP FC(F)(F)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000131251632 343263750 /nfs/dbraw/zinc/26/37/50/343263750.db2.gz QAOZMGGSXZQZED-RKDXNWHRSA-N 2 1 222.254 1.480 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069723872 343290010 /nfs/dbraw/zinc/29/00/10/343290010.db2.gz SBMBDAOSCFIDFJ-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000348756599 136297385 /nfs/dbraw/zinc/29/73/85/136297385.db2.gz PBWRDPRMFGFICB-VXGBXAGGSA-N 2 1 236.363 1.264 20 0 BDADMP Cc1[nH+]ccn1CCCN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000348756156 136297493 /nfs/dbraw/zinc/29/74/93/136297493.db2.gz MLJCDHFRWXQENO-TXEJJXNPSA-N 2 1 236.363 1.264 20 0 BDADMP c1cncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335631345 136300490 /nfs/dbraw/zinc/30/04/90/136300490.db2.gz AZCSCEKPRAGRGM-GJZGRUSLSA-N 2 1 245.370 1.903 20 0 BDADMP c1ccc2c(c1)CC[C@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335651608 136305151 /nfs/dbraw/zinc/30/51/51/136305151.db2.gz XUOFBYDYPSVHPY-QWHCGFSZSA-N 2 1 216.328 1.668 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000348914894 136307753 /nfs/dbraw/zinc/30/77/53/136307753.db2.gz ANRBGZHXSDFRRB-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393910621 259358904 /nfs/dbraw/zinc/35/89/04/259358904.db2.gz BJZBRVIRAMHDRS-RGOKHQFPSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393910621 259358906 /nfs/dbraw/zinc/35/89/06/259358906.db2.gz BJZBRVIRAMHDRS-RGOKHQFPSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000349151970 136326640 /nfs/dbraw/zinc/32/66/40/136326640.db2.gz PFSNJLNSKSNCHW-GRYCIOLGSA-N 2 1 219.332 1.865 20 0 BDADMP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000335699309 136328307 /nfs/dbraw/zinc/32/83/07/136328307.db2.gz TXAIGHGSHGLTSJ-ZDUSSCGKSA-N 2 1 249.358 1.464 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000380159851 343420442 /nfs/dbraw/zinc/42/04/42/343420442.db2.gz AKUPBCSDUTXZPN-NOOOWODRSA-N 2 1 212.337 1.094 20 0 BDADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CC2)C1 ZINC000335703604 136334660 /nfs/dbraw/zinc/33/46/60/136334660.db2.gz YCRZKPHNBSZFKO-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP C[C@H]1OCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335854130 136355702 /nfs/dbraw/zinc/35/57/02/136355702.db2.gz VTOGQOSFSVYIPY-RYSNWHEDSA-N 2 1 238.375 1.770 20 0 BDADMP CCOCC[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000082538571 343449252 /nfs/dbraw/zinc/44/92/52/343449252.db2.gz KAFQYHNJVIKBLP-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247977548 136373556 /nfs/dbraw/zinc/37/35/56/136373556.db2.gz HZDYTZCEUBXQIZ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247977548 136373557 /nfs/dbraw/zinc/37/35/57/136373557.db2.gz HZDYTZCEUBXQIZ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247977548 136373558 /nfs/dbraw/zinc/37/35/58/136373558.db2.gz HZDYTZCEUBXQIZ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000258991112 136373987 /nfs/dbraw/zinc/37/39/87/136373987.db2.gz MNXYNXMIZFNWCW-ZDUSSCGKSA-N 2 1 222.332 1.055 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC)(CC)C1 ZINC000310526526 343524289 /nfs/dbraw/zinc/52/42/89/343524289.db2.gz NCPURZUEENZNCB-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000049557623 343602733 /nfs/dbraw/zinc/60/27/33/343602733.db2.gz JRBNXPKVRZUDQU-NSHDSACASA-N 2 1 249.358 1.215 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000624300254 343678315 /nfs/dbraw/zinc/67/83/15/343678315.db2.gz AVSJURKTYXGXEI-AULYBMBSSA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@H]1CC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000379969851 343662266 /nfs/dbraw/zinc/66/22/66/343662266.db2.gz ATPFRHSOCIOCJV-JQWIXIFHSA-N 2 1 207.321 1.741 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000050228014 259370084 /nfs/dbraw/zinc/37/00/84/259370084.db2.gz CDFVGTNACUWEMC-LBPRGKRZSA-N 2 1 202.301 1.187 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2Cc3ccccc3C2)C1 ZINC000050228014 259370086 /nfs/dbraw/zinc/37/00/86/259370086.db2.gz CDFVGTNACUWEMC-LBPRGKRZSA-N 2 1 202.301 1.187 20 0 BDADMP CC[C@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000576636135 343754867 /nfs/dbraw/zinc/75/48/67/343754867.db2.gz PMOMFCLLIDIDFC-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000576636136 343755108 /nfs/dbraw/zinc/75/51/08/343755108.db2.gz PMOMFCLLIDIDFC-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCSC)[C@@H](C)C1 ZINC000221754075 346995211 /nfs/dbraw/zinc/99/52/11/346995211.db2.gz KWWOFWUPDSJOMM-WDEREUQCSA-N 2 1 216.394 1.669 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccn1 ZINC000621775026 343898420 /nfs/dbraw/zinc/89/84/20/343898420.db2.gz CZTQMMSNYRZOSE-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1c[nH]c(CN2CCC[N@H+](C(C)C)CC2)n1 ZINC000628118628 343968744 /nfs/dbraw/zinc/96/87/44/343968744.db2.gz AYGWBAWXPVLGFI-UHFFFAOYSA-N 2 1 236.363 1.634 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000381162676 344073949 /nfs/dbraw/zinc/07/39/49/344073949.db2.gz RTDJZAAHNXJNCB-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732870 344108272 /nfs/dbraw/zinc/10/82/72/344108272.db2.gz QTQRIECCKKDZLI-LLVKDONJSA-N 2 1 236.363 1.288 20 0 BDADMP Fc1cnccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000641308983 362359331 /nfs/dbraw/zinc/35/93/31/362359331.db2.gz LMDRUPQFBUKPCJ-VIFPVBQESA-N 2 1 221.279 1.291 20 0 BDADMP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCSC3)CC[N@H+]2C1 ZINC000130142150 344218959 /nfs/dbraw/zinc/21/89/59/344218959.db2.gz SDIQOBDQBHHNPB-QJPTWQEYSA-N 2 1 226.389 1.708 20 0 BDADMP CC[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1O ZINC000400032224 344238482 /nfs/dbraw/zinc/23/84/82/344238482.db2.gz IYZICOBISJWXDT-DGCLKSJQSA-N 2 1 237.347 1.055 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1O ZINC000400032224 344238487 /nfs/dbraw/zinc/23/84/87/344238487.db2.gz IYZICOBISJWXDT-DGCLKSJQSA-N 2 1 237.347 1.055 20 0 BDADMP CC[N@H+](Cc1cnn(C)c1)CC1CC[NH2+]CC1 ZINC000094011144 344325051 /nfs/dbraw/zinc/32/50/51/344325051.db2.gz OQGDWNXPHIAJSU-UHFFFAOYSA-N 2 1 236.363 1.242 20 0 BDADMP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000600700911 344359606 /nfs/dbraw/zinc/35/96/06/344359606.db2.gz FRILPFAZQGMAIN-LLVKDONJSA-N 2 1 228.336 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000600700911 344359608 /nfs/dbraw/zinc/35/96/08/344359608.db2.gz FRILPFAZQGMAIN-LLVKDONJSA-N 2 1 228.336 1.143 20 0 BDADMP COC(=O)CCCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000600704016 344359611 /nfs/dbraw/zinc/35/96/11/344359611.db2.gz NVNSVLUISNCVRU-GFCCVEGCSA-N 2 1 228.336 1.047 20 0 BDADMP C[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[NH2+]1 ZINC000634808188 344393384 /nfs/dbraw/zinc/39/33/84/344393384.db2.gz LSPKHDOBVYGNRH-IUCAKERBSA-N 2 1 231.303 1.510 20 0 BDADMP c1cc2c(nc[nH+]c2N[C@@H]2CCC[NH2+]CC2)[nH]1 ZINC000634813541 344398795 /nfs/dbraw/zinc/39/87/95/344398795.db2.gz OMUFJFQUBKQCOZ-SECBINFHSA-N 2 1 231.303 1.512 20 0 BDADMP c1cc2c(nc[nH+]c2N[C@H]2CCC[NH2+]CC2)[nH]1 ZINC000634813542 344399282 /nfs/dbraw/zinc/39/92/82/344399282.db2.gz OMUFJFQUBKQCOZ-VIFPVBQESA-N 2 1 231.303 1.512 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000382006633 347054292 /nfs/dbraw/zinc/05/42/92/347054292.db2.gz BHJHPNKJPYHSFC-JXUBOQSCSA-N 2 1 218.291 1.712 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000382006633 347054297 /nfs/dbraw/zinc/05/42/97/347054297.db2.gz BHJHPNKJPYHSFC-JXUBOQSCSA-N 2 1 218.291 1.712 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]CC(C)C ZINC000047892484 344582604 /nfs/dbraw/zinc/58/26/04/344582604.db2.gz OFZJRXQOGUOTBW-UHFFFAOYSA-N 2 1 202.342 1.200 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(C)CC1 ZINC000049551827 344652996 /nfs/dbraw/zinc/65/29/96/344652996.db2.gz QCLBXTJZAKRRCE-NSHDSACASA-N 2 1 213.369 1.010 20 0 BDADMP CSCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128043605 344725086 /nfs/dbraw/zinc/72/50/86/344725086.db2.gz UDCNLRBJXQEVKE-WDEREUQCSA-N 2 1 214.378 1.566 20 0 BDADMP Cc1c[nH]c(CN2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000628157806 344850857 /nfs/dbraw/zinc/85/08/57/344850857.db2.gz VXHGBNOTGWFMPU-UHFFFAOYSA-N 2 1 245.330 1.821 20 0 BDADMP Cc1c[nH]c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000628163463 344866374 /nfs/dbraw/zinc/86/63/74/344866374.db2.gz DAICPHXCDSNDFO-LBPRGKRZSA-N 2 1 234.347 1.387 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069039 537871198 /nfs/dbraw/zinc/87/11/98/537871198.db2.gz UJZVDLDKDHHOBS-XUXIUFHCSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@]1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCCS1 ZINC000628177679 344907065 /nfs/dbraw/zinc/90/70/65/344907065.db2.gz JWCQXIZFJYFAIU-XQQFMLRXSA-N 2 1 240.416 1.956 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCCS1 ZINC000628177679 344907066 /nfs/dbraw/zinc/90/70/66/344907066.db2.gz JWCQXIZFJYFAIU-XQQFMLRXSA-N 2 1 240.416 1.956 20 0 BDADMP C[NH2+]CCC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000579354910 344955993 /nfs/dbraw/zinc/95/59/93/344955993.db2.gz QXUOUDSYVCTNJL-ZDUSSCGKSA-N 2 1 236.359 1.479 20 0 BDADMP Cc1ncc(CNC[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000628202117 344976239 /nfs/dbraw/zinc/97/62/39/344976239.db2.gz HNKBFIBQCBPDCJ-LLVKDONJSA-N 2 1 235.331 1.557 20 0 BDADMP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000400552527 345045154 /nfs/dbraw/zinc/04/51/54/345045154.db2.gz YCXPPUKZWQLXQP-UTUOFQBUSA-N 2 1 214.353 1.388 20 0 BDADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000357925695 345062466 /nfs/dbraw/zinc/06/24/66/345062466.db2.gz CEAXPWKLOHKRTE-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000357925695 345062468 /nfs/dbraw/zinc/06/24/68/345062468.db2.gz CEAXPWKLOHKRTE-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1ncc(C[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000628205467 345119898 /nfs/dbraw/zinc/11/98/98/345119898.db2.gz QCVOTGCKZUXMID-UHFFFAOYSA-N 2 1 234.303 1.668 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000155679100 345095988 /nfs/dbraw/zinc/09/59/88/345095988.db2.gz OQKSSRZMUJCFNW-RYUDHWBXSA-N 2 1 243.395 1.208 20 0 BDADMP C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155812036 345106098 /nfs/dbraw/zinc/10/60/98/345106098.db2.gz KJPGZQRINNWLQT-ZIAGYGMSSA-N 2 1 237.391 1.299 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000634990788 345173359 /nfs/dbraw/zinc/17/33/59/345173359.db2.gz CMBDKVFGYJQGAF-RWMBFGLXSA-N 3 1 227.396 1.277 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000634990788 345173362 /nfs/dbraw/zinc/17/33/62/345173362.db2.gz CMBDKVFGYJQGAF-RWMBFGLXSA-N 3 1 227.396 1.277 20 0 BDADMP C[C@H]1C[C@@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000634993555 345190581 /nfs/dbraw/zinc/19/05/81/345190581.db2.gz XZWFECVFEIZUIR-AHPWVWPOSA-N 2 1 237.391 1.153 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000634994978 345183902 /nfs/dbraw/zinc/18/39/02/345183902.db2.gz RKKAVXOSEUVORA-HZSPNIEDSA-N 3 1 239.407 1.149 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000634995964 345185920 /nfs/dbraw/zinc/18/59/20/345185920.db2.gz VBTGIQHKOPNEIT-UTUOFQBUSA-N 3 1 213.369 1.077 20 0 BDADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156138510 345127372 /nfs/dbraw/zinc/12/73/72/345127372.db2.gz LQJZEYHAOWBMNM-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccon1 ZINC000634959564 345132906 /nfs/dbraw/zinc/13/29/06/345132906.db2.gz VIAWAAXCKCCUPC-SNVBAGLBSA-N 2 1 234.303 1.605 20 0 BDADMP COC[C@H](CC(C)(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996284 345187772 /nfs/dbraw/zinc/18/77/72/345187772.db2.gz FPIDMQSZDCACRI-LXVYMNJGSA-N 2 1 240.391 1.779 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000634993795 345191817 /nfs/dbraw/zinc/19/18/17/345191817.db2.gz GTYWKOVMWCMMAP-QWHCGFSZSA-N 2 1 227.396 1.278 20 0 BDADMP C([N@H+]1CC[C@@H]2CCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634994243 345192404 /nfs/dbraw/zinc/19/24/04/345192404.db2.gz WSXAYJPWMGFTFK-CMOBGSAGSA-N 2 1 206.333 1.613 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999133 345199431 /nfs/dbraw/zinc/19/94/31/345199431.db2.gz QLGUGBDWRMXHNN-JOYOIKCWSA-N 2 1 236.363 1.064 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007130 345211478 /nfs/dbraw/zinc/21/14/78/345211478.db2.gz ADTYDHRGEOJVPH-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007130 345211480 /nfs/dbraw/zinc/21/14/80/345211480.db2.gz ADTYDHRGEOJVPH-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1C ZINC000635008172 345215772 /nfs/dbraw/zinc/21/57/72/345215772.db2.gz RLWNHFLSUAENOE-XUXIUFHCSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1C ZINC000635008172 345215776 /nfs/dbraw/zinc/21/57/76/345215776.db2.gz RLWNHFLSUAENOE-XUXIUFHCSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H](C[NH3+])[N@H+](C)CCCOc1ccccc1 ZINC000158507732 345341706 /nfs/dbraw/zinc/34/17/06/345341706.db2.gz PXECQHVGDXLSPY-LBPRGKRZSA-N 2 1 222.332 1.735 20 0 BDADMP C[C@@H](C[NH3+])[N@@H+](C)CCCOc1ccccc1 ZINC000158507732 345341709 /nfs/dbraw/zinc/34/17/09/345341709.db2.gz PXECQHVGDXLSPY-LBPRGKRZSA-N 2 1 222.332 1.735 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCO)[C@H](C)C1 ZINC000081096918 345465120 /nfs/dbraw/zinc/46/51/20/345465120.db2.gz MBOCNAUSLMOGIJ-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccno2)[C@H](C)C1 ZINC000081095948 345465364 /nfs/dbraw/zinc/46/53/64/345465364.db2.gz IHWSDQMJMXTUNR-DGCLKSJQSA-N 2 1 237.347 1.837 20 0 BDADMP Nc1cnccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000641707595 362618535 /nfs/dbraw/zinc/61/85/35/362618535.db2.gz JJBDCQRHIJEXFX-OLZOCXBDSA-N 2 1 246.358 1.380 20 0 BDADMP Nc1cnccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000641707595 362618540 /nfs/dbraw/zinc/61/85/40/362618540.db2.gz JJBDCQRHIJEXFX-OLZOCXBDSA-N 2 1 246.358 1.380 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccncc1N ZINC000641707530 362619431 /nfs/dbraw/zinc/61/94/31/362619431.db2.gz GJWQZXQAWLTYDD-UHFFFAOYSA-N 2 1 245.330 1.349 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093343904 345653577 /nfs/dbraw/zinc/65/35/77/345653577.db2.gz BJCZHRRJNZWTKJ-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093343904 345653581 /nfs/dbraw/zinc/65/35/81/345653581.db2.gz BJCZHRRJNZWTKJ-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP COc1cc(C)nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000563135476 323094670 /nfs/dbraw/zinc/09/46/70/323094670.db2.gz NLLSLCAPVVZKKW-UWVGGRQHSA-N 2 1 237.347 1.614 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082687087 345679844 /nfs/dbraw/zinc/67/98/44/345679844.db2.gz GQAUYCCWDWZNAR-RTXFEEFZSA-N 2 1 217.316 1.294 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000082687087 345679846 /nfs/dbraw/zinc/67/98/46/345679846.db2.gz GQAUYCCWDWZNAR-RTXFEEFZSA-N 2 1 217.316 1.294 20 0 BDADMP Cc1ncc2c(n1)CC[N@@H+](Cc1cncn1C)C2 ZINC000139510902 345692905 /nfs/dbraw/zinc/69/29/05/345692905.db2.gz FSNPEWHIKPJQDB-UHFFFAOYSA-N 2 1 243.314 1.077 20 0 BDADMP Cc1ncc2c(n1)CC[N@H+](Cc1cncn1C)C2 ZINC000139510902 345692907 /nfs/dbraw/zinc/69/29/07/345692907.db2.gz FSNPEWHIKPJQDB-UHFFFAOYSA-N 2 1 243.314 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1C[NH2+]C1 ZINC000307654538 345878180 /nfs/dbraw/zinc/87/81/80/345878180.db2.gz MRZMLAYKNHIFNP-IUODEOHRSA-N 2 1 245.370 1.068 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000235935288 537940523 /nfs/dbraw/zinc/94/05/23/537940523.db2.gz MVPMNFOCCVYCMP-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000235935288 537940527 /nfs/dbraw/zinc/94/05/27/537940527.db2.gz MVPMNFOCCVYCMP-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000051822138 346090693 /nfs/dbraw/zinc/09/06/93/346090693.db2.gz QWCPPINYDBGYDO-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000051822138 346090695 /nfs/dbraw/zinc/09/06/95/346090695.db2.gz QWCPPINYDBGYDO-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000051822138 346090698 /nfs/dbraw/zinc/09/06/98/346090698.db2.gz QWCPPINYDBGYDO-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000051822139 346090745 /nfs/dbraw/zinc/09/07/45/346090745.db2.gz QWCPPINYDBGYDO-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000051822139 346090746 /nfs/dbraw/zinc/09/07/46/346090746.db2.gz QWCPPINYDBGYDO-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000051822139 346090747 /nfs/dbraw/zinc/09/07/47/346090747.db2.gz QWCPPINYDBGYDO-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000531716359 323112118 /nfs/dbraw/zinc/11/21/18/323112118.db2.gz SYHQXURCNQCQTE-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1ccncc1N ZINC000641737461 362664785 /nfs/dbraw/zinc/66/47/85/362664785.db2.gz VXBBVZUUFQGYAW-YGRLFVJLSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1ccncc1N ZINC000641737461 362664790 /nfs/dbraw/zinc/66/47/90/362664790.db2.gz VXBBVZUUFQGYAW-YGRLFVJLSA-N 2 1 246.358 1.236 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419202146 192102627 /nfs/dbraw/zinc/10/26/27/192102627.db2.gz GFGHVAMDIGXIKM-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419202146 192102629 /nfs/dbraw/zinc/10/26/29/192102629.db2.gz GFGHVAMDIGXIKM-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP Cc1noc([C@@H](C)[N@H+](C)CC[C@H]2CC[NH2+]C2)n1 ZINC000563421847 323124155 /nfs/dbraw/zinc/12/41/55/323124155.db2.gz VIDIDTMGMJYSHG-MWLCHTKSSA-N 2 1 238.335 1.370 20 0 BDADMP Cc1noc([C@@H](C)[N@@H+](C)CC[C@H]2CC[NH2+]C2)n1 ZINC000563421847 323124156 /nfs/dbraw/zinc/12/41/56/323124156.db2.gz VIDIDTMGMJYSHG-MWLCHTKSSA-N 2 1 238.335 1.370 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300369355 346433129 /nfs/dbraw/zinc/43/31/29/346433129.db2.gz XQEWHBHTGFVYIV-STQMWFEESA-N 2 1 227.396 1.576 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300369355 346433132 /nfs/dbraw/zinc/43/31/32/346433132.db2.gz XQEWHBHTGFVYIV-STQMWFEESA-N 3 1 227.396 1.576 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300369355 346433134 /nfs/dbraw/zinc/43/31/34/346433134.db2.gz XQEWHBHTGFVYIV-STQMWFEESA-N 3 1 227.396 1.576 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000641798268 362743441 /nfs/dbraw/zinc/74/34/41/362743441.db2.gz DHNPFTWLMXSXNR-KGLIPLIRSA-N 2 1 248.374 1.416 20 0 BDADMP CCc1nc([C@H](C)N[C@H]2C[C@@H]([NH3+])C2(C)C)n[nH]1 ZINC000641800582 362752085 /nfs/dbraw/zinc/75/20/85/362752085.db2.gz BOGADYCVVZNNKR-YIZRAAEISA-N 2 1 237.351 1.144 20 0 BDADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000641801697 362756446 /nfs/dbraw/zinc/75/64/46/362756446.db2.gz DZAJOFAGLMLART-NEPJUHHUSA-N 2 1 225.380 1.092 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)nc(C)n1 ZINC000641802223 362757831 /nfs/dbraw/zinc/75/78/31/362757831.db2.gz ZSKJIEKBGHHHNJ-NWDGAFQWSA-N 2 1 234.347 1.309 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000641802123 362758015 /nfs/dbraw/zinc/75/80/15/362758015.db2.gz XVRWGXVGLIGLOX-RYUDHWBXSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H](C[NH2+]C[C@@H](C)COC)[NH+]1CCCC1 ZINC000187656546 346595932 /nfs/dbraw/zinc/59/59/32/346595932.db2.gz BDNGAVPFGCJPQH-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000622004117 370652389 /nfs/dbraw/zinc/65/23/89/370652389.db2.gz KOBCUQOJUAOGIC-WCQYABFASA-N 2 1 208.349 1.990 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@@H+]1C ZINC000378687115 346806373 /nfs/dbraw/zinc/80/63/73/346806373.db2.gz FSDPOVKUYFUQII-YFKTTZPYSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)CC[N@H+]1C ZINC000378687115 346806378 /nfs/dbraw/zinc/80/63/78/346806378.db2.gz FSDPOVKUYFUQII-YFKTTZPYSA-N 2 1 214.328 1.949 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCSC1)C2 ZINC000622004899 370655676 /nfs/dbraw/zinc/65/56/76/370655676.db2.gz WEEJOJWXRHUDEU-WOPDTQHZSA-N 2 1 226.389 1.553 20 0 BDADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250603041 537987971 /nfs/dbraw/zinc/98/79/71/537987971.db2.gz KOMYMQCDAUTKKJ-RDBSUJKOSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250603041 537987977 /nfs/dbraw/zinc/98/79/77/537987977.db2.gz KOMYMQCDAUTKKJ-RDBSUJKOSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250603041 537987986 /nfs/dbraw/zinc/98/79/86/537987986.db2.gz KOMYMQCDAUTKKJ-RDBSUJKOSA-N 2 1 237.391 1.297 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC1(O)CCC1 ZINC000571295460 323140494 /nfs/dbraw/zinc/14/04/94/323140494.db2.gz YOWUNYUHERIJFJ-UHFFFAOYSA-N 2 1 237.347 1.200 20 0 BDADMP CCCC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000310120216 347234507 /nfs/dbraw/zinc/23/45/07/347234507.db2.gz DJZWWAJUVDNHDJ-JSGCOSHPSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310120216 347234510 /nfs/dbraw/zinc/23/45/10/347234510.db2.gz DJZWWAJUVDNHDJ-JSGCOSHPSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310120216 347234512 /nfs/dbraw/zinc/23/45/12/347234512.db2.gz DJZWWAJUVDNHDJ-JSGCOSHPSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310120216 347234514 /nfs/dbraw/zinc/23/45/14/347234514.db2.gz DJZWWAJUVDNHDJ-JSGCOSHPSA-N 2 1 242.407 1.952 20 0 BDADMP CCCC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310120216 347234517 /nfs/dbraw/zinc/23/45/17/347234517.db2.gz DJZWWAJUVDNHDJ-JSGCOSHPSA-N 2 1 242.407 1.952 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000250603041 537987964 /nfs/dbraw/zinc/98/79/64/537987964.db2.gz KOMYMQCDAUTKKJ-RDBSUJKOSA-N 2 1 237.391 1.297 20 0 BDADMP Cc1nc(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)[nH]c1C ZINC000628299338 347422013 /nfs/dbraw/zinc/42/20/13/347422013.db2.gz MDSHWBKPPFUYBL-NEPJUHHUSA-N 2 1 234.347 1.162 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)[C@H]1C ZINC000380098834 365879219 /nfs/dbraw/zinc/87/92/19/365879219.db2.gz LBAZQCVOFADNTI-SCVCMEIPSA-N 2 1 207.321 1.597 20 0 BDADMP COCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786260 347557217 /nfs/dbraw/zinc/55/72/17/347557217.db2.gz LIUSPJCOMRPVMC-UHFFFAOYSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC000160353357 347561735 /nfs/dbraw/zinc/56/17/35/347561735.db2.gz ZXBXLPRMPPPLBN-VXGBXAGGSA-N 2 1 223.320 1.118 20 0 BDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CCn1ccnc1 ZINC000160353116 347564695 /nfs/dbraw/zinc/56/46/95/347564695.db2.gz ZXBXLPRMPPPLBN-NEPJUHHUSA-N 2 1 223.320 1.118 20 0 BDADMP Cc1cccc(N2CCC([C@@H](C)[NH3+])CC2)[nH+]1 ZINC000082479217 347623853 /nfs/dbraw/zinc/62/38/53/347623853.db2.gz FMYHUZDOAUEJIQ-LLVKDONJSA-N 2 1 219.332 1.954 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCCCN1 ZINC000591275603 347637439 /nfs/dbraw/zinc/63/74/39/347637439.db2.gz IOCBUIJKGFKRDT-NSHDSACASA-N 2 1 242.363 1.307 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275603 347637440 /nfs/dbraw/zinc/63/74/40/347637440.db2.gz IOCBUIJKGFKRDT-NSHDSACASA-N 2 1 242.363 1.307 20 0 BDADMP CC[C@H]1C[N@@H+](CCC(=O)OC(C)C)CC[C@@H]1[NH3+] ZINC000592488985 347787189 /nfs/dbraw/zinc/78/71/89/347787189.db2.gz OOVPSCYXLQZYFI-RYUDHWBXSA-N 2 1 242.363 1.387 20 0 BDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](C)O)c1 ZINC000577364891 365934113 /nfs/dbraw/zinc/93/41/13/365934113.db2.gz GZQSEEHLQBITRR-LBPRGKRZSA-N 2 1 236.359 1.609 20 0 BDADMP CCCC(CCC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309863316 168583363 /nfs/dbraw/zinc/58/33/63/168583363.db2.gz NMWHGVWZAQHWKL-CYBMUJFWSA-N 2 1 228.380 1.611 20 0 BDADMP CCCC(CCC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309863316 168583365 /nfs/dbraw/zinc/58/33/65/168583365.db2.gz NMWHGVWZAQHWKL-CYBMUJFWSA-N 2 1 228.380 1.611 20 0 BDADMP [NH3+]Cc1ccc(CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000577395145 365944513 /nfs/dbraw/zinc/94/45/13/365944513.db2.gz JSBSTNVESPKSNJ-AWEZNQCLSA-N 2 1 233.359 1.377 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CCCOc1ccccc1 ZINC000082594631 347998201 /nfs/dbraw/zinc/99/82/01/347998201.db2.gz NXZRDPVXIQXOAJ-GFCCVEGCSA-N 2 1 222.332 1.735 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCOc1ccccc1 ZINC000082594631 347998205 /nfs/dbraw/zinc/99/82/05/347998205.db2.gz NXZRDPVXIQXOAJ-GFCCVEGCSA-N 2 1 222.332 1.735 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308710375 348101759 /nfs/dbraw/zinc/10/17/59/348101759.db2.gz NHRJWLLRJLWZEZ-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cccnc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228363455 179378852 /nfs/dbraw/zinc/37/88/52/179378852.db2.gz YGSOIUFDHDWJGW-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000070909078 179375220 /nfs/dbraw/zinc/37/52/20/179375220.db2.gz QDJBRVYENJVBHK-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000133763387 179377381 /nfs/dbraw/zinc/37/73/81/179377381.db2.gz WVFWVIQIYMTGAQ-CYBMUJFWSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000133763387 179377382 /nfs/dbraw/zinc/37/73/82/179377382.db2.gz WVFWVIQIYMTGAQ-CYBMUJFWSA-N 2 1 233.359 1.774 20 0 BDADMP CC[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)OC ZINC000419288914 192118144 /nfs/dbraw/zinc/11/81/44/192118144.db2.gz IIJOQVOJCSPJOF-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623489141 362914725 /nfs/dbraw/zinc/91/47/25/362914725.db2.gz RQLNNGXOVSBVNX-WOPDTQHZSA-N 2 1 228.380 1.608 20 0 BDADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491357 362915649 /nfs/dbraw/zinc/91/56/49/362915649.db2.gz QYDUMFDGFROAFG-LBPRGKRZSA-N 2 1 228.380 1.874 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1(C)C ZINC000623497128 362921018 /nfs/dbraw/zinc/92/10/18/362921018.db2.gz YEHJCAWXROBTPW-QJPTWQEYSA-N 2 1 240.391 1.608 20 0 BDADMP CSCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906271 348397430 /nfs/dbraw/zinc/39/74/30/348397430.db2.gz IOTZLRPNBNQHNN-LBPRGKRZSA-N 2 1 246.420 1.392 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CO1 ZINC000401902843 348651780 /nfs/dbraw/zinc/65/17/80/348651780.db2.gz RQQILLBKMLSJNJ-WISYIIOYSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CO1 ZINC000401902843 348651782 /nfs/dbraw/zinc/65/17/82/348651782.db2.gz RQQILLBKMLSJNJ-WISYIIOYSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623510182 362935244 /nfs/dbraw/zinc/93/52/44/362935244.db2.gz KUISMFKGRPGVLN-NWDGAFQWSA-N 2 1 228.380 1.610 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250822613 349180339 /nfs/dbraw/zinc/18/03/39/349180339.db2.gz GNLYEMQICJFHKK-ZOBORPQBSA-N 2 1 237.391 1.473 20 0 BDADMP CSCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386097867 362940537 /nfs/dbraw/zinc/94/05/37/362940537.db2.gz JFJKELYLAVOQFE-UWVGGRQHSA-N 2 1 202.367 1.470 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123518612 490240781 /nfs/dbraw/zinc/24/07/81/490240781.db2.gz OAOFDTHHYKEPHQ-XQQFMLRXSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123518612 490240790 /nfs/dbraw/zinc/24/07/90/490240790.db2.gz OAOFDTHHYKEPHQ-XQQFMLRXSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCO1 ZINC000530214217 323216344 /nfs/dbraw/zinc/21/63/44/323216344.db2.gz CIZOASOKBFYWAU-QJPTWQEYSA-N 2 1 224.348 1.428 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000252570678 349201164 /nfs/dbraw/zinc/20/11/64/349201164.db2.gz AHTJBQPOLWHESW-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CN(CC[C@H]1CC[NH2+]C1)C[C@H]1CCC[N@@H+]1C ZINC000252570678 349201166 /nfs/dbraw/zinc/20/11/66/349201166.db2.gz AHTJBQPOLWHESW-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CN(CC[C@H]1CC[NH2+]C1)C[C@H]1CCC[N@H+]1C ZINC000252570678 349201169 /nfs/dbraw/zinc/20/11/69/349201169.db2.gz AHTJBQPOLWHESW-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1C ZINC000308996360 349267404 /nfs/dbraw/zinc/26/74/04/349267404.db2.gz JZQAAJPNBCEYBT-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1C ZINC000308996360 349267406 /nfs/dbraw/zinc/26/74/06/349267406.db2.gz JZQAAJPNBCEYBT-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000308996360 349267409 /nfs/dbraw/zinc/26/74/09/349267409.db2.gz JZQAAJPNBCEYBT-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000308996360 349267411 /nfs/dbraw/zinc/26/74/11/349267411.db2.gz JZQAAJPNBCEYBT-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP Cn1c(NCCC[NH3+])[nH+]c2cccc(F)c21 ZINC000212502223 349337641 /nfs/dbraw/zinc/33/76/41/349337641.db2.gz RWUOHZLCSOZOMJ-UHFFFAOYSA-N 2 1 222.267 1.473 20 0 BDADMP C[C@@H](CF)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526002 362945780 /nfs/dbraw/zinc/94/57/80/362945780.db2.gz GMLSLHNYGSHWLM-UWVGGRQHSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@@H](CF)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623526002 362945783 /nfs/dbraw/zinc/94/57/83/362945783.db2.gz GMLSLHNYGSHWLM-UWVGGRQHSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070480065 350014796 /nfs/dbraw/zinc/01/47/96/350014796.db2.gz HNBYZAOTZSSICC-VXGBXAGGSA-N 2 1 234.347 1.598 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218636034 350098233 /nfs/dbraw/zinc/09/82/33/350098233.db2.gz MDGOXEAIPAVCSB-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218636034 350098234 /nfs/dbraw/zinc/09/82/34/350098234.db2.gz MDGOXEAIPAVCSB-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@@H+](C)CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422722521 192442438 /nfs/dbraw/zinc/44/24/38/192442438.db2.gz YGAKNUAGHYIKAT-DZGCQCFKSA-N 2 1 249.402 1.486 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CC[N@H+]1C ZINC000133121813 191038042 /nfs/dbraw/zinc/03/80/42/191038042.db2.gz HWLMYZLTJWUJPR-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133387890 191039891 /nfs/dbraw/zinc/03/98/91/191039891.db2.gz VYMZKDPGZQTBDJ-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000309192800 350167192 /nfs/dbraw/zinc/16/71/92/350167192.db2.gz CRDOUTMHBCPPGP-QWHCGFSZSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN(C)C1 ZINC000309192800 350167195 /nfs/dbraw/zinc/16/71/95/350167195.db2.gz CRDOUTMHBCPPGP-QWHCGFSZSA-N 2 1 227.396 1.435 20 0 BDADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000314858177 350175408 /nfs/dbraw/zinc/17/54/08/350175408.db2.gz JCCVADBRJXWMER-ZDUSSCGKSA-N 2 1 239.363 1.613 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000336736720 180152215 /nfs/dbraw/zinc/15/22/15/180152215.db2.gz IYTBSQCBMKHQBO-JTQLQIEISA-N 2 1 222.336 1.072 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)C(C)C ZINC000359830597 180234748 /nfs/dbraw/zinc/23/47/48/180234748.db2.gz ISOJFAKMPXSLPD-CYBMUJFWSA-N 2 1 239.363 1.578 20 0 BDADMP Cc1nccn1CCCC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000336713053 180236322 /nfs/dbraw/zinc/23/63/22/180236322.db2.gz SGZRVWDJZHSCHM-WCQYABFASA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000336713053 180236323 /nfs/dbraw/zinc/23/63/23/180236323.db2.gz SGZRVWDJZHSCHM-WCQYABFASA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000336713053 180236325 /nfs/dbraw/zinc/23/63/25/180236325.db2.gz SGZRVWDJZHSCHM-WCQYABFASA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CCOCC1CC1 ZINC000346300742 180251967 /nfs/dbraw/zinc/25/19/67/180251967.db2.gz CFPWQCLZVFFWCB-UHFFFAOYSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOCC1CC1 ZINC000346300742 180251970 /nfs/dbraw/zinc/25/19/70/180251970.db2.gz CFPWQCLZVFFWCB-UHFFFAOYSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1CO ZINC000305668642 180240504 /nfs/dbraw/zinc/24/05/04/180240504.db2.gz QOMRFTBZGRGHAN-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1CO ZINC000305668642 180240507 /nfs/dbraw/zinc/24/05/07/180240507.db2.gz QOMRFTBZGRGHAN-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364316362 180241392 /nfs/dbraw/zinc/24/13/92/180241392.db2.gz LPRQMNORRJQLQQ-LBPRGKRZSA-N 2 1 235.331 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364316362 180241394 /nfs/dbraw/zinc/24/13/94/180241394.db2.gz LPRQMNORRJQLQQ-LBPRGKRZSA-N 2 1 235.331 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H](C)CO ZINC000273959325 180244618 /nfs/dbraw/zinc/24/46/18/180244618.db2.gz GFXLMWBQQNBXQP-MNOVXSKESA-N 2 1 225.336 1.188 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnn1C ZINC000266976451 180245512 /nfs/dbraw/zinc/24/55/12/180245512.db2.gz QXCMPESOWVMEII-UHFFFAOYSA-N 2 1 233.319 1.105 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC1(C)C ZINC000284096373 180262980 /nfs/dbraw/zinc/26/29/80/180262980.db2.gz BPVFQVPAHSNOJT-NSHDSACASA-N 2 1 207.321 1.970 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275198334 180268661 /nfs/dbraw/zinc/26/86/61/180268661.db2.gz PYLYBLKGSHSNJR-MNOVXSKESA-N 2 1 247.346 1.902 20 0 BDADMP Cc1nccnc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000275818102 180280789 /nfs/dbraw/zinc/28/07/89/180280789.db2.gz GCSMTMCUBPDSBK-GFCCVEGCSA-N 2 1 246.358 1.698 20 0 BDADMP Cc1ncsc1CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228079815 180308673 /nfs/dbraw/zinc/30/86/73/180308673.db2.gz SXLOFNQZYGEJKN-MWLCHTKSSA-N 2 1 239.388 1.663 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)CC[C@H]1[NH3+] ZINC000328218633 350393801 /nfs/dbraw/zinc/39/38/01/350393801.db2.gz XRXZPDBSYHRCPX-XQHKEYJVSA-N 2 1 226.364 1.207 20 0 BDADMP Cc1ncsc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000084149337 180322688 /nfs/dbraw/zinc/32/26/88/180322688.db2.gz MMQXVDWDGUMSAH-SECBINFHSA-N 2 1 227.377 1.881 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)CC1 ZINC000309265655 323337360 /nfs/dbraw/zinc/33/73/60/323337360.db2.gz QBZXEXLZBSAJMX-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000309265655 323337364 /nfs/dbraw/zinc/33/73/64/323337364.db2.gz QBZXEXLZBSAJMX-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000309265655 323337368 /nfs/dbraw/zinc/33/73/68/323337368.db2.gz QBZXEXLZBSAJMX-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000128257782 180371665 /nfs/dbraw/zinc/37/16/65/180371665.db2.gz KPHSYHIKTSWLNB-ZDUSSCGKSA-N 2 1 236.363 1.432 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268804816 180379770 /nfs/dbraw/zinc/37/97/70/180379770.db2.gz KKZDLZLPZBKPDA-SNVBAGLBSA-N 2 1 247.346 1.584 20 0 BDADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)O ZINC000336758672 350502785 /nfs/dbraw/zinc/50/27/85/350502785.db2.gz ZPFMIUXIBGRWIV-GFCCVEGCSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220958240 535150651 /nfs/dbraw/zinc/15/06/51/535150651.db2.gz LNSQVRFMNHHJOJ-BFHYXJOUSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220958240 535150655 /nfs/dbraw/zinc/15/06/55/535150655.db2.gz LNSQVRFMNHHJOJ-BFHYXJOUSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220958240 535150659 /nfs/dbraw/zinc/15/06/59/535150659.db2.gz LNSQVRFMNHHJOJ-BFHYXJOUSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CO1 ZINC000623558886 362981216 /nfs/dbraw/zinc/98/12/16/362981216.db2.gz MDFHKLQHUSSYIB-UTUOFQBUSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CO1 ZINC000623558887 362980605 /nfs/dbraw/zinc/98/06/05/362980605.db2.gz MDFHKLQHUSSYIB-WOPDTQHZSA-N 2 1 226.364 1.626 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnn2C)[C@H](C)C1 ZINC000177561433 366008085 /nfs/dbraw/zinc/00/80/85/366008085.db2.gz ZLKFTMQLYDLUSO-DGCLKSJQSA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnn2C)[C@H](C)C1 ZINC000177561433 366008088 /nfs/dbraw/zinc/00/80/88/366008088.db2.gz ZLKFTMQLYDLUSO-DGCLKSJQSA-N 2 1 236.363 1.240 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623561178 362985881 /nfs/dbraw/zinc/98/58/81/362985881.db2.gz DLYQDVFTPFQZBS-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1nc(CN(C)C[C@@H]2CCC[N@H+]2C)[nH]c1C ZINC000628316123 351046535 /nfs/dbraw/zinc/04/65/35/351046535.db2.gz JPGMPWXAASFUQK-LBPRGKRZSA-N 2 1 236.363 1.553 20 0 BDADMP CS[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000382859177 351057915 /nfs/dbraw/zinc/05/79/15/351057915.db2.gz APKMUDJNLANWHX-NWDGAFQWSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000382859177 351057917 /nfs/dbraw/zinc/05/79/17/351057917.db2.gz APKMUDJNLANWHX-NWDGAFQWSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000382859177 351057919 /nfs/dbraw/zinc/05/79/19/351057919.db2.gz APKMUDJNLANWHX-NWDGAFQWSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000382859177 351057921 /nfs/dbraw/zinc/05/79/21/351057921.db2.gz APKMUDJNLANWHX-NWDGAFQWSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)C[N@@H+](C[C@H](O)CN(C)C1CC1)C1CC1 ZINC000336714014 351089633 /nfs/dbraw/zinc/08/96/33/351089633.db2.gz OYKCKJABOOXYAL-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)C[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336714014 351089635 /nfs/dbraw/zinc/08/96/35/351089635.db2.gz OYKCKJABOOXYAL-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336714014 351089638 /nfs/dbraw/zinc/08/96/38/351089638.db2.gz OYKCKJABOOXYAL-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000336714014 351089639 /nfs/dbraw/zinc/08/96/39/351089639.db2.gz OYKCKJABOOXYAL-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000336714014 351089642 /nfs/dbraw/zinc/08/96/42/351089642.db2.gz OYKCKJABOOXYAL-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(F)(F)F ZINC000063100440 351140268 /nfs/dbraw/zinc/14/02/68/351140268.db2.gz FHGMCPAUAMWOLK-SFYZADRCSA-N 2 1 210.243 1.750 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(F)(F)F ZINC000063100440 351140270 /nfs/dbraw/zinc/14/02/70/351140270.db2.gz FHGMCPAUAMWOLK-SFYZADRCSA-N 2 1 210.243 1.750 20 0 BDADMP CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336732320 351658747 /nfs/dbraw/zinc/65/87/47/351658747.db2.gz ZJGASPQDDGYSEA-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336732320 351658751 /nfs/dbraw/zinc/65/87/51/351658751.db2.gz ZJGASPQDDGYSEA-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336732320 351658755 /nfs/dbraw/zinc/65/87/55/351658755.db2.gz ZJGASPQDDGYSEA-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336732320 351658758 /nfs/dbraw/zinc/65/87/58/351658758.db2.gz ZJGASPQDDGYSEA-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCc1cccs1 ZINC000577759731 366056962 /nfs/dbraw/zinc/05/69/62/366056962.db2.gz VGNZPMVMUFJYPO-LBPRGKRZSA-N 2 1 242.388 1.193 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCc1cccs1 ZINC000577759730 366057041 /nfs/dbraw/zinc/05/70/41/366057041.db2.gz VGNZPMVMUFJYPO-GFCCVEGCSA-N 2 1 242.388 1.193 20 0 BDADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637867629 351731277 /nfs/dbraw/zinc/73/12/77/351731277.db2.gz VXDIOWQJQYZHGA-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@](C)(C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088384 351965445 /nfs/dbraw/zinc/96/54/45/351965445.db2.gz BIXSZMDRGAEGOJ-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@](C)(C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088384 351965446 /nfs/dbraw/zinc/96/54/46/351965446.db2.gz BIXSZMDRGAEGOJ-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638280384 352116073 /nfs/dbraw/zinc/11/60/73/352116073.db2.gz FCQAYJLLNHYZTG-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638280384 352116074 /nfs/dbraw/zinc/11/60/74/352116074.db2.gz FCQAYJLLNHYZTG-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638381002 352191155 /nfs/dbraw/zinc/19/11/55/352191155.db2.gz HCINXGGAFNTFPG-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@H](C[NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000638387146 352196721 /nfs/dbraw/zinc/19/67/21/352196721.db2.gz TWODJSCOBMQITD-CYBMUJFWSA-N 2 1 237.347 1.596 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638452419 352262781 /nfs/dbraw/zinc/26/27/81/352262781.db2.gz YXXQLEDBIUYAGS-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000638452426 352263070 /nfs/dbraw/zinc/26/30/70/352263070.db2.gz ZAWAJOLAWFGZQI-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000638452426 352263073 /nfs/dbraw/zinc/26/30/73/352263073.db2.gz ZAWAJOLAWFGZQI-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1N ZINC000638466242 352277809 /nfs/dbraw/zinc/27/78/09/352277809.db2.gz IGTBRLVMHIDKHI-JTQLQIEISA-N 2 1 239.338 1.838 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000412037859 191247522 /nfs/dbraw/zinc/24/75/22/191247522.db2.gz NHSRSXIPWPCBBL-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000412037859 191247524 /nfs/dbraw/zinc/24/75/24/191247524.db2.gz NHSRSXIPWPCBBL-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000412037859 191247527 /nfs/dbraw/zinc/24/75/27/191247527.db2.gz NHSRSXIPWPCBBL-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215255 352814117 /nfs/dbraw/zinc/81/41/17/352814117.db2.gz UGUUNNWUDGBBCZ-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215255 352814121 /nfs/dbraw/zinc/81/41/21/352814121.db2.gz UGUUNNWUDGBBCZ-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215255 352814125 /nfs/dbraw/zinc/81/41/25/352814125.db2.gz UGUUNNWUDGBBCZ-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1nocc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334191435 352781720 /nfs/dbraw/zinc/78/17/20/352781720.db2.gz HNTALUTXVPJBLC-GXFFZTMASA-N 2 1 237.347 1.898 20 0 BDADMP C[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334209154 352805360 /nfs/dbraw/zinc/80/53/60/352805360.db2.gz MPRBUBASFJETPY-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP CC(C)[NH+](CCN[C@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000342852768 352874831 /nfs/dbraw/zinc/87/48/31/352874831.db2.gz RTHXDQYYVXHYCO-KGLIPLIRSA-N 2 1 241.423 1.645 20 0 BDADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000334319369 352949723 /nfs/dbraw/zinc/94/97/23/352949723.db2.gz XTJCKZNVAQJECJ-GFCCVEGCSA-N 2 1 244.342 1.423 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(F)c2N)CC1 ZINC000638838050 353022361 /nfs/dbraw/zinc/02/23/61/353022361.db2.gz CBNLQZTVQMLANA-UHFFFAOYSA-N 2 1 249.333 1.759 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000092375544 538106750 /nfs/dbraw/zinc/10/67/50/538106750.db2.gz ODCBQRURAINOLY-LLVKDONJSA-N 2 1 238.379 1.412 20 0 BDADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[NH3+] ZINC000037712434 358476634 /nfs/dbraw/zinc/47/66/34/358476634.db2.gz ZRZMUMGSNMDLPQ-SNVBAGLBSA-N 2 1 236.315 1.285 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000250224442 353269800 /nfs/dbraw/zinc/26/98/00/353269800.db2.gz FFHSXKIHQBZPJP-XQQFMLRXSA-N 2 1 225.380 1.188 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000250224442 353269802 /nfs/dbraw/zinc/26/98/02/353269802.db2.gz FFHSXKIHQBZPJP-XQQFMLRXSA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000126797920 188258111 /nfs/dbraw/zinc/25/81/11/188258111.db2.gz KCHNGLLKAJYCLZ-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000295259647 188269007 /nfs/dbraw/zinc/26/90/07/188269007.db2.gz UYURAYOLGBLQFF-JBLDHEPKSA-N 2 1 223.320 1.347 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252854117 353312444 /nfs/dbraw/zinc/31/24/44/353312444.db2.gz JNOKSBYIDAVQTH-RWMBFGLXSA-N 2 1 231.343 1.954 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000343273517 353302274 /nfs/dbraw/zinc/30/22/74/353302274.db2.gz YEDFAKQPIGBWDK-DYEKYZERSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343273517 353302278 /nfs/dbraw/zinc/30/22/78/353302278.db2.gz YEDFAKQPIGBWDK-DYEKYZERSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000343273517 353302281 /nfs/dbraw/zinc/30/22/81/353302281.db2.gz YEDFAKQPIGBWDK-DYEKYZERSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343273517 353302282 /nfs/dbraw/zinc/30/22/82/353302282.db2.gz YEDFAKQPIGBWDK-DYEKYZERSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000343273517 353302284 /nfs/dbraw/zinc/30/22/84/353302284.db2.gz YEDFAKQPIGBWDK-DYEKYZERSA-N 2 1 237.391 1.010 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252691738 353303880 /nfs/dbraw/zinc/30/38/80/353303880.db2.gz YXAHWBPOZOXUKX-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252691738 353303881 /nfs/dbraw/zinc/30/38/81/353303881.db2.gz YXAHWBPOZOXUKX-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2COCCO2)c2ccccc21 ZINC000252765164 353304091 /nfs/dbraw/zinc/30/40/91/353304091.db2.gz FQKXVKUISQPFQW-GDLCADMTSA-N 2 1 248.326 1.136 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000129382332 188318128 /nfs/dbraw/zinc/31/81/28/188318128.db2.gz PIMUQFWVKZQQDG-LBPRGKRZSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000336668529 188340703 /nfs/dbraw/zinc/34/07/03/188340703.db2.gz MNWRYBNTBXWADJ-JHJVBQTASA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000336668529 188340705 /nfs/dbraw/zinc/34/07/05/188340705.db2.gz MNWRYBNTBXWADJ-JHJVBQTASA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336668529 188340707 /nfs/dbraw/zinc/34/07/07/188340707.db2.gz MNWRYBNTBXWADJ-JHJVBQTASA-N 2 1 227.396 1.255 20 0 BDADMP C1CC([NH+]2CCC([NH2+][C@@H]3CCOC3)CC2)C1 ZINC000335607831 188338743 /nfs/dbraw/zinc/33/87/43/188338743.db2.gz LNCBMOINJOGKAH-GFCCVEGCSA-N 2 1 224.348 1.382 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000132473253 353381245 /nfs/dbraw/zinc/38/12/45/353381245.db2.gz KEBADUWQWXQQKJ-VHSXEESVSA-N 2 1 202.367 1.422 20 0 BDADMP CCn1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000231465090 353605895 /nfs/dbraw/zinc/60/58/95/353605895.db2.gz OJSIZYVVIGAGHN-ZDUSSCGKSA-N 2 1 236.363 1.477 20 0 BDADMP CCn1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000231465090 353605896 /nfs/dbraw/zinc/60/58/96/353605896.db2.gz OJSIZYVVIGAGHN-ZDUSSCGKSA-N 2 1 236.363 1.477 20 0 BDADMP CC[C@H](C)[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113868 353715059 /nfs/dbraw/zinc/71/50/59/353715059.db2.gz YIQBPGBHWYZLFW-IGQOVBAYSA-N 2 1 240.391 1.541 20 0 BDADMP CC[C@H](C)[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)OC ZINC000639113868 353715064 /nfs/dbraw/zinc/71/50/64/353715064.db2.gz YIQBPGBHWYZLFW-IGQOVBAYSA-N 2 1 240.391 1.541 20 0 BDADMP CC[C@H](C)[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)OC ZINC000639113868 353715067 /nfs/dbraw/zinc/71/50/67/353715067.db2.gz YIQBPGBHWYZLFW-IGQOVBAYSA-N 2 1 240.391 1.541 20 0 BDADMP CC(C)COCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000232657332 353745521 /nfs/dbraw/zinc/74/55/21/353745521.db2.gz ZDKLBYJSAPFWSX-CYBMUJFWSA-N 2 1 228.380 1.862 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)[C@@H]2C1 ZINC000343447883 353891774 /nfs/dbraw/zinc/89/17/74/353891774.db2.gz KJCUFQSWHRKCNQ-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCCOC3)[C@@H]2C1 ZINC000343447883 353891776 /nfs/dbraw/zinc/89/17/76/353891776.db2.gz KJCUFQSWHRKCNQ-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCCOC3)[C@@H]2C1 ZINC000343447883 353891778 /nfs/dbraw/zinc/89/17/78/353891778.db2.gz KJCUFQSWHRKCNQ-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CCCOC3)[C@@H]2C1 ZINC000343447883 353891780 /nfs/dbraw/zinc/89/17/80/353891780.db2.gz KJCUFQSWHRKCNQ-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)[C@@H]2C1 ZINC000343447883 353891781 /nfs/dbraw/zinc/89/17/81/353891781.db2.gz KJCUFQSWHRKCNQ-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000343501914 353915062 /nfs/dbraw/zinc/91/50/62/353915062.db2.gz YUPBKUQINBBGLJ-VXGBXAGGSA-N 2 1 244.379 1.110 20 0 BDADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000343847428 354021124 /nfs/dbraw/zinc/02/11/24/354021124.db2.gz USNHPSVOCIXTPK-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000343847428 354021127 /nfs/dbraw/zinc/02/11/27/354021127.db2.gz USNHPSVOCIXTPK-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000343847432 354021225 /nfs/dbraw/zinc/02/12/25/354021225.db2.gz USNHPSVOCIXTPK-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000343847432 354021229 /nfs/dbraw/zinc/02/12/29/354021229.db2.gz USNHPSVOCIXTPK-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000630079151 363287075 /nfs/dbraw/zinc/28/70/75/363287075.db2.gz WRHOOQVQPLXPQK-PSASIEDQSA-N 2 1 209.293 1.010 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000630079151 363287080 /nfs/dbraw/zinc/28/70/80/363287080.db2.gz WRHOOQVQPLXPQK-PSASIEDQSA-N 2 1 209.293 1.010 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH+](CC)C[C@@H]1C)C(C)C ZINC000343907992 354036621 /nfs/dbraw/zinc/03/66/21/354036621.db2.gz GYKIPJIGCZZOBM-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@H+](CC)C[C@@H]1C)C(C)C ZINC000343907992 354036623 /nfs/dbraw/zinc/03/66/23/354036623.db2.gz GYKIPJIGCZZOBM-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000343907992 354036625 /nfs/dbraw/zinc/03/66/25/354036625.db2.gz GYKIPJIGCZZOBM-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@](C)(C[N@@H+](C)CCC[NH+](C)C)OC ZINC000639167695 354038985 /nfs/dbraw/zinc/03/89/85/354038985.db2.gz JPVZIHWOBDWIBR-GFCCVEGCSA-N 2 1 216.369 1.685 20 0 BDADMP CCC[C@@H](C[N@@H+](C)CCC[NH+](C)C)OC ZINC000639168420 354073313 /nfs/dbraw/zinc/07/33/13/354073313.db2.gz UCFIMRHCVWTYRG-LBPRGKRZSA-N 2 1 216.369 1.685 20 0 BDADMP CC[N@H+]1C[C@H](NC[C@@H](C)[NH+](C)C2CC2)[C@@H](C)C1 ZINC000344221563 354182213 /nfs/dbraw/zinc/18/22/13/354182213.db2.gz MTMCXZPOIDNAAN-SCRDCRAPSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@@H+]1C[C@H](NC[C@@H](C)[NH+](C)C2CC2)[C@@H](C)C1 ZINC000344221563 354182214 /nfs/dbraw/zinc/18/22/14/354182214.db2.gz MTMCXZPOIDNAAN-SCRDCRAPSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1C[C@H](NC[C@@H](C)[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000344221563 354182215 /nfs/dbraw/zinc/18/22/15/354182215.db2.gz MTMCXZPOIDNAAN-SCRDCRAPSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1C[C@H](NC[C@@H](C)[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000344221563 354182216 /nfs/dbraw/zinc/18/22/16/354182216.db2.gz MTMCXZPOIDNAAN-SCRDCRAPSA-N 2 1 239.407 1.399 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344300748 354212136 /nfs/dbraw/zinc/21/21/36/354212136.db2.gz QFZFJODDUSWQPU-AWEZNQCLSA-N 2 1 240.391 1.899 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@H](OC)C1CC1 ZINC000639175986 354212799 /nfs/dbraw/zinc/21/27/99/354212799.db2.gz SPIGOPOTMLFIND-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344379371 354256498 /nfs/dbraw/zinc/25/64/98/354256498.db2.gz SRTOYKCYGKQOSN-KGLIPLIRSA-N 2 1 249.358 1.739 20 0 BDADMP C[C@H]([NH3+])C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000334598692 354233746 /nfs/dbraw/zinc/23/37/46/354233746.db2.gz XIDAWGTWFTTZHA-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]([NH3+])C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000334598695 354233756 /nfs/dbraw/zinc/23/37/56/354233756.db2.gz XIDAWGTWFTTZHA-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000334617352 354305084 /nfs/dbraw/zinc/30/50/84/354305084.db2.gz XSKYJDAVOZWQNP-WDEREUQCSA-N 2 1 248.317 1.390 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000577962640 366145884 /nfs/dbraw/zinc/14/58/84/366145884.db2.gz BLBDOAXZBVXRTA-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](CF)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639183617 354355516 /nfs/dbraw/zinc/35/55/16/354355516.db2.gz UIBHOPFDAZOIPA-JTQLQIEISA-N 2 1 232.343 1.169 20 0 BDADMP CCOc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000578070514 366219309 /nfs/dbraw/zinc/21/93/09/366219309.db2.gz VVUMTZPIEPDNMO-WDEREUQCSA-N 2 1 237.347 1.696 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000334649519 354440966 /nfs/dbraw/zinc/44/09/66/354440966.db2.gz HDSDSYODFGXFFG-KOLCDFICSA-N 2 1 222.336 1.277 20 0 BDADMP Cc1c[nH+]ccc1N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000335080234 354642380 /nfs/dbraw/zinc/64/23/80/354642380.db2.gz WDGDEYBSFZQNEC-GXTWGEPZSA-N 2 1 231.343 1.920 20 0 BDADMP CC(C)[N@@H+](C[C@@H](C)O)C[C@H]1CCC[NH2+]C1 ZINC000232671213 363378675 /nfs/dbraw/zinc/37/86/75/363378675.db2.gz ZEILZACDJMXSQA-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232987293 363390987 /nfs/dbraw/zinc/39/09/87/363390987.db2.gz VAAFPPUHHRWUOK-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP Cc1c[nH+]ccc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000335165902 354922870 /nfs/dbraw/zinc/92/28/70/354922870.db2.gz KNPKHUGQMYYIRB-NEPJUHHUSA-N 2 1 231.343 1.849 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH2+]C)C2)CCO1 ZINC000346652379 355002840 /nfs/dbraw/zinc/00/28/40/355002840.db2.gz QNYBGVJMNDTCCR-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH2+]C)C2)CCO1 ZINC000346652379 355002843 /nfs/dbraw/zinc/00/28/43/355002843.db2.gz QNYBGVJMNDTCCR-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1OCO2 ZINC000346688328 355013765 /nfs/dbraw/zinc/01/37/65/355013765.db2.gz XUQGCDBGGRGBNL-MNOVXSKESA-N 2 1 248.326 1.584 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346693736 355075752 /nfs/dbraw/zinc/07/57/52/355075752.db2.gz PFZIPZAHOUVIFN-UHFFFAOYSA-N 2 1 224.352 1.443 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346693736 355075755 /nfs/dbraw/zinc/07/57/55/355075755.db2.gz PFZIPZAHOUVIFN-UHFFFAOYSA-N 2 1 224.352 1.443 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000166073507 355081254 /nfs/dbraw/zinc/08/12/54/355081254.db2.gz RNSMLKKHHVBAPP-LBPRGKRZSA-N 2 1 226.364 1.628 20 0 BDADMP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000346819406 355124278 /nfs/dbraw/zinc/12/42/78/355124278.db2.gz BULKIJSUKKKQIH-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000346819406 355124282 /nfs/dbraw/zinc/12/42/82/355124282.db2.gz BULKIJSUKKKQIH-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP COC(=O)CC[N@@H+](CC(C)C)CC(C)(C)N ZINC000346838054 355131669 /nfs/dbraw/zinc/13/16/69/355131669.db2.gz QAXAOLHLMBPJGS-UHFFFAOYSA-N 2 1 230.352 1.245 20 0 BDADMP CC(C)OC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000347015559 355205419 /nfs/dbraw/zinc/20/54/19/355205419.db2.gz YBHIONTUKCDCJM-LLVKDONJSA-N 2 1 242.363 1.258 20 0 BDADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000412975275 191347514 /nfs/dbraw/zinc/34/75/14/191347514.db2.gz FAUBFMJPSGBORE-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000412975275 191347517 /nfs/dbraw/zinc/34/75/17/191347517.db2.gz FAUBFMJPSGBORE-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@@H](C[NH+]1CCC([NH+](C)C)CC1)OC ZINC000412976851 191347674 /nfs/dbraw/zinc/34/76/74/191347674.db2.gz KFHJIDFIIJPXAX-LBPRGKRZSA-N 2 1 214.353 1.437 20 0 BDADMP CC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000412979783 191348363 /nfs/dbraw/zinc/34/83/63/191348363.db2.gz VUWUWJBOTLRLRI-FRRDWIJNSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000412979783 191348366 /nfs/dbraw/zinc/34/83/66/191348366.db2.gz VUWUWJBOTLRLRI-FRRDWIJNSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000412979783 191348368 /nfs/dbraw/zinc/34/83/68/191348368.db2.gz VUWUWJBOTLRLRI-FRRDWIJNSA-N 2 1 228.380 1.826 20 0 BDADMP CC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000412979783 191348371 /nfs/dbraw/zinc/34/83/71/191348371.db2.gz VUWUWJBOTLRLRI-FRRDWIJNSA-N 2 1 228.380 1.826 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)CC[N@H+]1C ZINC000639277054 355353355 /nfs/dbraw/zinc/35/33/55/355353355.db2.gz RQZKOPYTUQTOEP-STQMWFEESA-N 2 1 240.391 1.754 20 0 BDADMP CO[C@@H](C[NH2+]CCC[N@@H+](C)CC(C)C)C1CC1 ZINC000639287774 355396241 /nfs/dbraw/zinc/39/62/41/355396241.db2.gz AHAVEZPUAFCOAO-AWEZNQCLSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@H]1C[C@H]1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856850 191601879 /nfs/dbraw/zinc/60/18/79/191601879.db2.gz AZCDGWLRBFNPGZ-JSGCOSHPSA-N 2 1 233.359 1.807 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639345923 355792695 /nfs/dbraw/zinc/79/26/95/355792695.db2.gz CUHILIBAQKNLBX-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639345928 355792808 /nfs/dbraw/zinc/79/28/08/355792808.db2.gz CUHILIBAQKNLBX-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472302 355997595 /nfs/dbraw/zinc/99/75/95/355997595.db2.gz AOZKFPBMGLWEEA-CYZMBNFOSA-N 2 1 249.358 1.715 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000167103632 355958098 /nfs/dbraw/zinc/95/80/98/355958098.db2.gz VONMUADHCBEFLA-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351584782 356022166 /nfs/dbraw/zinc/02/21/66/356022166.db2.gz WUHFGYLQMZPCHF-CYBMUJFWSA-N 2 1 228.380 1.560 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351584782 356022169 /nfs/dbraw/zinc/02/21/69/356022169.db2.gz WUHFGYLQMZPCHF-CYBMUJFWSA-N 2 1 228.380 1.560 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000351612171 356028552 /nfs/dbraw/zinc/02/85/52/356028552.db2.gz UZMWSLPIDKDEQV-QWHCGFSZSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000351612171 356028554 /nfs/dbraw/zinc/02/85/54/356028554.db2.gz UZMWSLPIDKDEQV-QWHCGFSZSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@@H+](Cc1ccncc1)[C@@H]1CN2CCC1CC2 ZINC000639398415 356116259 /nfs/dbraw/zinc/11/62/59/356116259.db2.gz PMYNXTUPFHGELE-CQSZACIVSA-N 2 1 231.343 1.608 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000420265441 192192454 /nfs/dbraw/zinc/19/24/54/192192454.db2.gz QBKNFFVLCLSVAT-RKDXNWHRSA-N 2 1 235.335 1.446 20 0 BDADMP [NH3+]CC[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000420241458 192184258 /nfs/dbraw/zinc/18/42/58/192184258.db2.gz LKALSCKENZDLSR-SNVBAGLBSA-N 2 1 245.330 1.523 20 0 BDADMP C[C@](C[NH3+])([NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC000420296577 192204257 /nfs/dbraw/zinc/20/42/57/192204257.db2.gz XECOAXZLWGOOGE-QWHCGFSZSA-N 2 1 226.364 1.663 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420297594 192204312 /nfs/dbraw/zinc/20/43/12/192204312.db2.gz YVHRCIDEQOUZNZ-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccnc(N)c1 ZINC000420297671 192205950 /nfs/dbraw/zinc/20/59/50/192205950.db2.gz ZARAYAQNCSVZOI-LBPRGKRZSA-N 2 1 236.363 1.299 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccnc(N)c1 ZINC000420297671 192205951 /nfs/dbraw/zinc/20/59/51/192205951.db2.gz ZARAYAQNCSVZOI-LBPRGKRZSA-N 2 1 236.363 1.299 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420301360 192206362 /nfs/dbraw/zinc/20/63/62/192206362.db2.gz VPRPXPJPNVWZJN-CHWSQXEVSA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420301360 192206365 /nfs/dbraw/zinc/20/63/65/192206365.db2.gz VPRPXPJPNVWZJN-CHWSQXEVSA-N 2 1 226.364 1.759 20 0 BDADMP CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420319136 192195341 /nfs/dbraw/zinc/19/53/41/192195341.db2.gz RFDRMLBCQVYXSH-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP [NH3+][C@H]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000420278359 192198890 /nfs/dbraw/zinc/19/88/90/192198890.db2.gz IZZSFAAITUELEW-ZJUUUORDSA-N 2 1 245.330 1.309 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420285602 192199956 /nfs/dbraw/zinc/19/99/56/192199956.db2.gz FGQMZUXYLZNHPA-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420285602 192199957 /nfs/dbraw/zinc/19/99/57/192199957.db2.gz FGQMZUXYLZNHPA-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420289667 192202094 /nfs/dbraw/zinc/20/20/94/192202094.db2.gz KPWIEKHIXHZSIF-UONOGXRCSA-N 3 1 241.423 1.778 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420289667 192202097 /nfs/dbraw/zinc/20/20/97/192202097.db2.gz KPWIEKHIXHZSIF-UONOGXRCSA-N 3 1 241.423 1.778 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420295795 192203113 /nfs/dbraw/zinc/20/31/13/192203113.db2.gz AUNMNGCTVXCWRX-GFCCVEGCSA-N 2 1 230.352 1.291 20 0 BDADMP C[N@@H+](CCOc1ccccc1)CC[C@H]1CC[NH2+]C1 ZINC000420301632 192207326 /nfs/dbraw/zinc/20/73/26/192207326.db2.gz IQLSCKDZVIWWST-CQSZACIVSA-N 2 1 248.370 1.997 20 0 BDADMP C[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420294199 192203474 /nfs/dbraw/zinc/20/34/74/192203474.db2.gz AWDCCQXHLOSCJY-QEJZJMRPSA-N 2 1 248.370 1.402 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420314640 192213172 /nfs/dbraw/zinc/21/31/72/192213172.db2.gz VZJKYLMENZVUMB-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000639509617 356339291 /nfs/dbraw/zinc/33/92/91/356339291.db2.gz HSHGHWUHYCYUMY-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000639509617 356339293 /nfs/dbraw/zinc/33/92/93/356339293.db2.gz HSHGHWUHYCYUMY-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420350175 192217090 /nfs/dbraw/zinc/21/70/90/192217090.db2.gz FWXGLUCNSQCYSZ-TUAOUCFPSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC[C@H]1CCCCO1 ZINC000420350175 192217092 /nfs/dbraw/zinc/21/70/92/192217092.db2.gz FWXGLUCNSQCYSZ-TUAOUCFPSA-N 2 1 212.337 1.367 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354034 192218067 /nfs/dbraw/zinc/21/80/67/192218067.db2.gz BIEASJIRTHPZIK-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000420302713 192207597 /nfs/dbraw/zinc/20/75/97/192207597.db2.gz BVRJOYYUDDIPPR-ZIAGYGMSSA-N 3 1 239.407 1.450 20 0 BDADMP OCCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420306633 192208688 /nfs/dbraw/zinc/20/86/88/192208688.db2.gz QQSSUTPNAWGROG-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420307647 192208894 /nfs/dbraw/zinc/20/88/94/192208894.db2.gz RPVLXTDNNKBTHP-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000420309739 192210917 /nfs/dbraw/zinc/21/09/17/192210917.db2.gz FILSPTNKWCLTRK-LSDHHAIUSA-N 2 1 245.370 1.556 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420312955 192210942 /nfs/dbraw/zinc/21/09/42/192210942.db2.gz JHWFDLRXPSTUHM-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420322057 192226705 /nfs/dbraw/zinc/22/67/05/192226705.db2.gz RXXLKYPLOZHKJC-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420370780 192227287 /nfs/dbraw/zinc/22/72/87/192227287.db2.gz ZDPCOMSXNXKAMS-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CC1(C[NH2+][C@H](C[NH3+])C(C)(C)C)CC1 ZINC000420370937 192228136 /nfs/dbraw/zinc/22/81/36/192228136.db2.gz WFLYPFMKVZCXAH-SNVBAGLBSA-N 2 1 242.363 1.293 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420370261 192228394 /nfs/dbraw/zinc/22/83/94/192228394.db2.gz YVPGHGOQXCURCB-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000420325903 192229372 /nfs/dbraw/zinc/22/93/72/192229372.db2.gz CACOYJMNMHDHDQ-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000420325903 192229374 /nfs/dbraw/zinc/22/93/74/192229374.db2.gz CACOYJMNMHDHDQ-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420372233 192229461 /nfs/dbraw/zinc/22/94/61/192229461.db2.gz QBPRNGVKBLSEFY-YIYPIFLZSA-N 3 1 239.407 1.352 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420357843 192220188 /nfs/dbraw/zinc/22/01/88/192220188.db2.gz HWXJVRCMNDSJAJ-NSHDSACASA-N 2 1 241.404 1.957 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOCC(F)(F)F ZINC000420354440 192220879 /nfs/dbraw/zinc/22/08/79/192220879.db2.gz CZTJTDQGVKZFSA-QMMMGPOBSA-N 2 1 242.285 1.528 20 0 BDADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359383 192222709 /nfs/dbraw/zinc/22/27/09/192222709.db2.gz VUNPQNIZZWRGDX-STQMWFEESA-N 2 1 240.322 1.528 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOCC(F)F ZINC000420359154 192222979 /nfs/dbraw/zinc/22/29/79/192222979.db2.gz GBJGKCPPOALLGG-YWVKMMECSA-N 2 1 236.306 1.244 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000420363803 192224312 /nfs/dbraw/zinc/22/43/12/192224312.db2.gz JURQPVFSVKDNII-FDYHWXHSSA-N 2 1 226.364 1.532 20 0 BDADMP COCC[C@@H]1CCCC[N@@H+](C[C@@H](C)N)C1 ZINC000420368225 192225627 /nfs/dbraw/zinc/22/56/27/192225627.db2.gz HSUGVELHUIAPBK-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1ccc(CC[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420396935 192237144 /nfs/dbraw/zinc/23/71/44/192237144.db2.gz WVHYHZPBNMEFEA-HNNXBMFYSA-N 2 1 248.370 1.587 20 0 BDADMP Cc1ccc(CC[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420396935 192237146 /nfs/dbraw/zinc/23/71/46/192237146.db2.gz WVHYHZPBNMEFEA-HNNXBMFYSA-N 2 1 248.370 1.587 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420404458 192237878 /nfs/dbraw/zinc/23/78/78/192237878.db2.gz SFFRMXBPRWNUMN-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1C[NH3+] ZINC000420408515 192239739 /nfs/dbraw/zinc/23/97/39/192239739.db2.gz PHWKMMZBPMNWJK-ZJUUUORDSA-N 2 1 236.306 1.185 20 0 BDADMP [NH3+]CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420414083 192241164 /nfs/dbraw/zinc/24/11/64/192241164.db2.gz UIMOMDSHLLSLCG-TZMCWYRMSA-N 2 1 234.343 1.703 20 0 BDADMP C[C@@H]1C[N@H+](CCCc2ccncc2)C[C@H]1[NH3+] ZINC000420373686 192232127 /nfs/dbraw/zinc/23/21/27/192232127.db2.gz NAUYFPCXIJWXCS-DGCLKSJQSA-N 2 1 219.332 1.293 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2ccncc2)C[C@H]1[NH3+] ZINC000420373686 192232129 /nfs/dbraw/zinc/23/21/29/192232129.db2.gz NAUYFPCXIJWXCS-DGCLKSJQSA-N 2 1 219.332 1.293 20 0 BDADMP CC[N@@H+]1CCN(CCCn2ccnc2)[C@H](C)C1 ZINC000352702673 356405209 /nfs/dbraw/zinc/40/52/09/356405209.db2.gz XYGKHEIXXQNUDX-CYBMUJFWSA-N 2 1 236.363 1.299 20 0 BDADMP CC[N@H+]1CCN(CCCn2ccnc2)[C@H](C)C1 ZINC000352702673 356405213 /nfs/dbraw/zinc/40/52/13/356405213.db2.gz XYGKHEIXXQNUDX-CYBMUJFWSA-N 2 1 236.363 1.299 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CCOCC1CC1)C1CCCCC1 ZINC000420379121 192233685 /nfs/dbraw/zinc/23/36/85/192233685.db2.gz XKYMUHVEVWTSGZ-CQSZACIVSA-N 2 1 240.391 1.910 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOCC1CC1 ZINC000420377310 192233698 /nfs/dbraw/zinc/23/36/98/192233698.db2.gz WADBCHWBTVBJGY-WZRBSPASSA-N 2 1 226.364 1.389 20 0 BDADMP COC[C@H]1CCCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420377560 192233921 /nfs/dbraw/zinc/23/39/21/192233921.db2.gz SNHMBRHWTRQRQO-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP CCSCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420377420 192233998 /nfs/dbraw/zinc/23/39/98/192233998.db2.gz WHCSBMZKVTZIMM-HBNTYKKESA-N 2 1 216.394 1.716 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336158639 134106818 /nfs/dbraw/zinc/10/68/18/134106818.db2.gz IHTCSNPKXRIEML-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336158639 134106819 /nfs/dbraw/zinc/10/68/19/134106819.db2.gz IHTCSNPKXRIEML-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336158639 134106820 /nfs/dbraw/zinc/10/68/20/134106820.db2.gz IHTCSNPKXRIEML-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)C[C@H]1C ZINC000420917781 192273473 /nfs/dbraw/zinc/27/34/73/192273473.db2.gz UBMCZXRWUHQAEV-MQYQWHSLSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)C[C@H]1C ZINC000420917781 192273475 /nfs/dbraw/zinc/27/34/75/192273475.db2.gz UBMCZXRWUHQAEV-MQYQWHSLSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)C[C@H]1C ZINC000420917781 192273478 /nfs/dbraw/zinc/27/34/78/192273478.db2.gz UBMCZXRWUHQAEV-MQYQWHSLSA-N 2 1 240.391 1.562 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000389634211 356496496 /nfs/dbraw/zinc/49/64/96/356496496.db2.gz NKNUBGPDGPYPOZ-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C ZINC000389634211 356496500 /nfs/dbraw/zinc/49/65/00/356496500.db2.gz NKNUBGPDGPYPOZ-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C ZINC000389634211 356496503 /nfs/dbraw/zinc/49/65/03/356496503.db2.gz NKNUBGPDGPYPOZ-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000389634211 356496506 /nfs/dbraw/zinc/49/65/06/356496506.db2.gz NKNUBGPDGPYPOZ-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H](O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000420918226 192273395 /nfs/dbraw/zinc/27/33/95/192273395.db2.gz VNAISRZIKMEKPA-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@H]1C[C@@H](O)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000420918226 192273398 /nfs/dbraw/zinc/27/33/98/192273398.db2.gz VNAISRZIKMEKPA-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@H]1C[C@@H](O)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000420918226 192273401 /nfs/dbraw/zinc/27/34/01/192273401.db2.gz VNAISRZIKMEKPA-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C1CC[NH+]([C@H]2CCC[N@@H+]([C@H]3CCOC3)CC2)C1 ZINC000336180246 134119196 /nfs/dbraw/zinc/11/91/96/134119196.db2.gz SVPIVVNHEDKYAQ-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C1CC[NH+]([C@@H]2CCC[N@@H+]([C@@H]3CCOC3)CC2)C1 ZINC000336180249 134119250 /nfs/dbraw/zinc/11/92/50/134119250.db2.gz SVPIVVNHEDKYAQ-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252709552 535312783 /nfs/dbraw/zinc/31/27/83/535312783.db2.gz DETZAPRDIPHGPT-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[NH+](CC)CCCN(C)C[C@@H]1CCC[N@H+]1C ZINC000420992507 192292087 /nfs/dbraw/zinc/29/20/87/192292087.db2.gz CBQGWDICAFLGOA-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP CN(CC[C@H]1CCC[N@H+]1C)C[C@H]1CCC[NH+]1C ZINC000420993788 192292302 /nfs/dbraw/zinc/29/23/02/192292302.db2.gz BDCJBOCCZPGWDC-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@H]1CCC[NH+]1C)C[C@H]1CCC[N@@H+]1C ZINC000420993788 192292303 /nfs/dbraw/zinc/29/23/03/192292303.db2.gz BDCJBOCCZPGWDC-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@H]1CCC[NH+]1C)C[C@H]1CCC[N@H+]1C ZINC000420993788 192292305 /nfs/dbraw/zinc/29/23/05/192292305.db2.gz BDCJBOCCZPGWDC-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP Cn1cncc1CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000639638000 356551755 /nfs/dbraw/zinc/55/17/55/356551755.db2.gz NEUZBSFVXOSIAO-GFCCVEGCSA-N 2 1 223.320 1.073 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000421020963 192306912 /nfs/dbraw/zinc/30/69/12/192306912.db2.gz NTVMWDWRGOHVIW-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000421020963 192306914 /nfs/dbraw/zinc/30/69/14/192306914.db2.gz NTVMWDWRGOHVIW-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000421020963 192306917 /nfs/dbraw/zinc/30/69/17/192306917.db2.gz NTVMWDWRGOHVIW-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C)CCCC1)C1CC1 ZINC000379759987 363548057 /nfs/dbraw/zinc/54/80/57/363548057.db2.gz AYKMUBODSCIRMF-CYBMUJFWSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C)CCCC1)C1CC1 ZINC000379759987 363548062 /nfs/dbraw/zinc/54/80/62/363548062.db2.gz AYKMUBODSCIRMF-CYBMUJFWSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000167605102 134152713 /nfs/dbraw/zinc/15/27/13/134152713.db2.gz UCYSVDWPLVMUDC-ZJUUUORDSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000167605102 134152714 /nfs/dbraw/zinc/15/27/14/134152714.db2.gz UCYSVDWPLVMUDC-ZJUUUORDSA-N 2 1 225.361 1.560 20 0 BDADMP COCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756597 356662298 /nfs/dbraw/zinc/66/22/98/356662298.db2.gz YBFRBVQWSDQZGA-UHFFFAOYSA-N 2 1 212.337 1.051 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC000639755891 356660056 /nfs/dbraw/zinc/66/00/56/356660056.db2.gz QIJSEWIVNHTPMF-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167614966 134153291 /nfs/dbraw/zinc/15/32/91/134153291.db2.gz OUZHBLCFIWAQMT-WUHRBBMRSA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761315 356676713 /nfs/dbraw/zinc/67/67/13/356676713.db2.gz GRDHVEPGNGHYIA-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC(C)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761315 356676715 /nfs/dbraw/zinc/67/67/15/356676715.db2.gz GRDHVEPGNGHYIA-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCO)[C@H](C)C1 ZINC000167927269 134155101 /nfs/dbraw/zinc/15/51/01/134155101.db2.gz AXHAZJCMCNBXRN-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000450462518 202171525 /nfs/dbraw/zinc/17/15/25/202171525.db2.gz HAVIEJWDPDRLDE-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000450462518 202171526 /nfs/dbraw/zinc/17/15/26/202171526.db2.gz HAVIEJWDPDRLDE-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000450462518 202171527 /nfs/dbraw/zinc/17/15/27/202171527.db2.gz HAVIEJWDPDRLDE-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCOC1 ZINC000166565734 538724492 /nfs/dbraw/zinc/72/44/92/538724492.db2.gz ZUHZMIBACDXDDV-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC1CC[NH+](CC)CC1 ZINC000019959684 356995786 /nfs/dbraw/zinc/99/57/86/356995786.db2.gz AGDCYDRBNLMGSA-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156252391 538775107 /nfs/dbraw/zinc/77/51/07/538775107.db2.gz VOCCZUXRNFBRGP-MJBXVCDLSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCCC[NH3+] ZINC000389783436 357031564 /nfs/dbraw/zinc/03/15/64/357031564.db2.gz JSTMEGMHFJWMSC-DZGCQCFKSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCC[NH3+] ZINC000389783436 357031567 /nfs/dbraw/zinc/03/15/67/357031567.db2.gz JSTMEGMHFJWMSC-DZGCQCFKSA-N 2 1 247.386 1.445 20 0 BDADMP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000390590884 357111322 /nfs/dbraw/zinc/11/13/22/357111322.db2.gz ZHNNNZHCZCVALU-STQMWFEESA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000390678166 357111360 /nfs/dbraw/zinc/11/13/60/357111360.db2.gz YMCQCQMFIIHPGQ-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623403134 357066587 /nfs/dbraw/zinc/06/65/87/357066587.db2.gz LBBYITURGHCWDC-NEPJUHHUSA-N 2 1 227.396 1.399 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccoc1 ZINC000390422077 357092675 /nfs/dbraw/zinc/09/26/75/357092675.db2.gz KIDFBRHREOIJCU-JTQLQIEISA-N 2 1 219.288 1.906 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000399997675 357145129 /nfs/dbraw/zinc/14/51/29/357145129.db2.gz LITANOTYHFDMHO-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)C)C1 ZINC000393791350 357299101 /nfs/dbraw/zinc/29/91/01/357299101.db2.gz ZDHXDVGDXZWTNG-STQMWFEESA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000393791350 357299107 /nfs/dbraw/zinc/29/91/07/357299107.db2.gz ZDHXDVGDXZWTNG-STQMWFEESA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000393791350 357299110 /nfs/dbraw/zinc/29/91/10/357299110.db2.gz ZDHXDVGDXZWTNG-STQMWFEESA-N 2 1 228.380 1.277 20 0 BDADMP COC1CC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000628425275 357253330 /nfs/dbraw/zinc/25/33/30/357253330.db2.gz GDZSKEKYFSBJOV-PNESKVBLSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CCC[C@H]1C ZINC000584359333 357329961 /nfs/dbraw/zinc/32/99/61/357329961.db2.gz YWYYTFJLGFLINA-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CCC[C@H]1C ZINC000584359333 357329967 /nfs/dbraw/zinc/32/99/67/357329967.db2.gz YWYYTFJLGFLINA-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000584359333 357329970 /nfs/dbraw/zinc/32/99/70/357329970.db2.gz YWYYTFJLGFLINA-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000584359333 357329975 /nfs/dbraw/zinc/32/99/75/357329975.db2.gz YWYYTFJLGFLINA-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000582540557 357338823 /nfs/dbraw/zinc/33/88/23/357338823.db2.gz ZBALEWDJJIYHJR-MGPQQGTHSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000582540557 357338826 /nfs/dbraw/zinc/33/88/26/357338826.db2.gz ZBALEWDJJIYHJR-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000582540557 357338828 /nfs/dbraw/zinc/33/88/28/357338828.db2.gz ZBALEWDJJIYHJR-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000582540557 357338830 /nfs/dbraw/zinc/33/88/30/357338830.db2.gz ZBALEWDJJIYHJR-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423299480 192689165 /nfs/dbraw/zinc/68/91/65/192689165.db2.gz BVCLMLVHOKONNI-SSDOTTSWSA-N 2 1 244.260 1.974 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000395398068 357437498 /nfs/dbraw/zinc/43/74/98/357437498.db2.gz ZKZLJYQUNZYPKW-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CC[N@H+]1C ZINC000230898256 357578117 /nfs/dbraw/zinc/57/81/17/357578117.db2.gz WKWUASWJAZLGAA-DGCLKSJQSA-N 2 1 236.363 1.035 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538482 538853575 /nfs/dbraw/zinc/85/35/75/538853575.db2.gz SVVJTLMQVXFJPC-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP Fc1cncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000230938685 357581010 /nfs/dbraw/zinc/58/10/10/357581010.db2.gz ZOQNRZUNGWITJI-LLVKDONJSA-N 2 1 249.333 1.795 20 0 BDADMP Fc1cncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000230938685 357581015 /nfs/dbraw/zinc/58/10/15/357581015.db2.gz ZOQNRZUNGWITJI-LLVKDONJSA-N 2 1 249.333 1.795 20 0 BDADMP CCN1CCC([NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000233471451 357724284 /nfs/dbraw/zinc/72/42/84/357724284.db2.gz XKEJHKZIVBSPFQ-NSHDSACASA-N 2 1 236.363 1.555 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416864 357860164 /nfs/dbraw/zinc/86/01/64/357860164.db2.gz KDSANHGEKWJESO-XQQFMLRXSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)CC1(C)C ZINC000623417090 357870145 /nfs/dbraw/zinc/87/01/45/357870145.db2.gz SGFHCAHIBDLLLV-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086188777 357872226 /nfs/dbraw/zinc/87/22/26/357872226.db2.gz QAXLCMWWHXZUGT-CYBMUJFWSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000217749800 357911944 /nfs/dbraw/zinc/91/19/44/357911944.db2.gz UZZOZJXRNHKHMM-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP CC[C@H](C)N(C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000217749800 357911946 /nfs/dbraw/zinc/91/19/46/357911946.db2.gz UZZOZJXRNHKHMM-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000583812278 357959936 /nfs/dbraw/zinc/95/99/36/357959936.db2.gz ARJCNHXVVCRGCL-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncccc1F ZINC000584463868 357981071 /nfs/dbraw/zinc/98/10/71/357981071.db2.gz MOEXOVQQAGKLIN-ONGXEEELSA-N 2 1 223.295 1.438 20 0 BDADMP CC1([NH+]2CCCC2)CC[NH+](CCCCO)CC1 ZINC000639980739 358025503 /nfs/dbraw/zinc/02/55/03/358025503.db2.gz BKUWMQGFCNWBHP-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000217922149 134251217 /nfs/dbraw/zinc/25/12/17/134251217.db2.gz FSWPJLYREYKILQ-PNESKVBLSA-N 3 1 227.396 1.576 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000217922149 134251218 /nfs/dbraw/zinc/25/12/18/134251218.db2.gz FSWPJLYREYKILQ-PNESKVBLSA-N 3 1 227.396 1.576 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222986782 358217084 /nfs/dbraw/zinc/21/70/84/358217084.db2.gz FZHHCERJGNSKHU-IJLUTSLNSA-N 3 1 213.369 1.186 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000622017004 370664400 /nfs/dbraw/zinc/66/44/00/370664400.db2.gz XMGUMZSCXJHDAG-ONGXEEELSA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000622017004 370664406 /nfs/dbraw/zinc/66/44/06/370664406.db2.gz XMGUMZSCXJHDAG-ONGXEEELSA-N 2 1 248.317 1.076 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccno3)C[C@@H]21 ZINC000230047615 358390432 /nfs/dbraw/zinc/39/04/32/358390432.db2.gz RIYWGXPNENGPIK-ADEWGFFLSA-N 2 1 221.304 1.234 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388563 358522571 /nfs/dbraw/zinc/52/25/71/358522571.db2.gz KNFMDVXQAAPECS-AWEZNQCLSA-N 3 1 241.423 1.633 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCC[C@H](C)O)CC1 ZINC000045620278 358563905 /nfs/dbraw/zinc/56/39/05/358563905.db2.gz ZNUNBORTLPUJQW-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCC[C@H](C)O)CC1 ZINC000045620278 358563909 /nfs/dbraw/zinc/56/39/09/358563909.db2.gz ZNUNBORTLPUJQW-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP C1CC1[N@H+]1CC[C@@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000130212765 358614250 /nfs/dbraw/zinc/61/42/50/358614250.db2.gz VXWBCPPDCUIEKU-GZBFAFLISA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1[NH+]1CC[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000130212765 358614251 /nfs/dbraw/zinc/61/42/51/358614251.db2.gz VXWBCPPDCUIEKU-GZBFAFLISA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1[NH+]1CC[C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000130212765 358614252 /nfs/dbraw/zinc/61/42/52/358614252.db2.gz VXWBCPPDCUIEKU-GZBFAFLISA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1N1CC[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000130212765 358614253 /nfs/dbraw/zinc/61/42/53/358614253.db2.gz VXWBCPPDCUIEKU-GZBFAFLISA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1N1CC[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000130212765 358614254 /nfs/dbraw/zinc/61/42/54/358614254.db2.gz VXWBCPPDCUIEKU-GZBFAFLISA-N 2 1 249.402 1.440 20 0 BDADMP Cc1c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cnn1C ZINC000133358091 358751638 /nfs/dbraw/zinc/75/16/38/358751638.db2.gz OZVSBQUQLWLFPL-ZDUSSCGKSA-N 2 1 238.379 1.534 20 0 BDADMP Cc1c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cnn1C ZINC000133358091 358751642 /nfs/dbraw/zinc/75/16/42/358751642.db2.gz OZVSBQUQLWLFPL-ZDUSSCGKSA-N 2 1 238.379 1.534 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000132280328 358715066 /nfs/dbraw/zinc/71/50/66/358715066.db2.gz QDFQLBWVWRWURM-MNOVXSKESA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000132374668 358720460 /nfs/dbraw/zinc/72/04/60/358720460.db2.gz OOMSTKVRJUOSMP-UTUOFQBUSA-N 2 1 226.364 1.484 20 0 BDADMP COC(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000136771651 358885734 /nfs/dbraw/zinc/88/57/34/358885734.db2.gz UXCKLQMCRAMCIF-GFCCVEGCSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000136771651 358885736 /nfs/dbraw/zinc/88/57/36/358885736.db2.gz UXCKLQMCRAMCIF-GFCCVEGCSA-N 2 1 242.363 1.023 20 0 BDADMP COCCC[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309629380 358950061 /nfs/dbraw/zinc/95/00/61/358950061.db2.gz HICAHBGXPKYBFV-NSHDSACASA-N 2 1 225.336 1.367 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCCO2)CC[N@@H+]1C ZINC000246938748 359175913 /nfs/dbraw/zinc/17/59/13/359175913.db2.gz QSMXXSKFLGZIMH-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCCO2)CC[N@H+]1C ZINC000246938748 359175915 /nfs/dbraw/zinc/17/59/15/359175915.db2.gz QSMXXSKFLGZIMH-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCCO2)CC[NH+]1C ZINC000246938748 359175920 /nfs/dbraw/zinc/17/59/20/359175920.db2.gz QSMXXSKFLGZIMH-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCCO2)CC[NH+]1C ZINC000246938748 359175925 /nfs/dbraw/zinc/17/59/25/359175925.db2.gz QSMXXSKFLGZIMH-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423434033 192767507 /nfs/dbraw/zinc/76/75/07/192767507.db2.gz NRDJYNOJDRHCFV-RFQIPJPRSA-N 2 1 232.302 1.620 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623441340 359334161 /nfs/dbraw/zinc/33/41/61/359334161.db2.gz NVWSJZTVCBUNHM-NWDGAFQWSA-N 2 1 228.380 1.466 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423386094 192760003 /nfs/dbraw/zinc/76/00/03/192760003.db2.gz RDNCNVSLBZOZIN-RQJABVFESA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423461970 192779936 /nfs/dbraw/zinc/77/99/36/192779936.db2.gz DAXXMXQLFQRZJO-ZDEQEGDKSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423514140 192800217 /nfs/dbraw/zinc/80/02/17/192800217.db2.gz MBSZRXLWDQVWDS-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP Cc1ncc(C[NH2+][C@H](CCO)c2ccco2)n1C ZINC000580451778 359559608 /nfs/dbraw/zinc/55/96/08/359559608.db2.gz LGCPTYLXZKWTNS-GFCCVEGCSA-N 2 1 249.314 1.535 20 0 BDADMP CC(C)[NH2+]Cc1nc(C2([NH3+])CCCC2)no1 ZINC000580465567 359569834 /nfs/dbraw/zinc/56/98/34/359569834.db2.gz NDBOWWAFYCKGKV-UHFFFAOYSA-N 2 1 224.308 1.296 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351627233 366537102 /nfs/dbraw/zinc/53/71/02/366537102.db2.gz ILBCAILBEFRASK-BNOWGMLFSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351627233 366537109 /nfs/dbraw/zinc/53/71/09/366537109.db2.gz ILBCAILBEFRASK-BNOWGMLFSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000451241297 202384709 /nfs/dbraw/zinc/38/47/09/202384709.db2.gz JBJGNFQEGNVXBU-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089139675 359991737 /nfs/dbraw/zinc/99/17/37/359991737.db2.gz ZQMLHPWTJQVSAR-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089139675 359991743 /nfs/dbraw/zinc/99/17/43/359991743.db2.gz ZQMLHPWTJQVSAR-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@@H](C)c2ccnc(OC)c2)C1 ZINC000578905566 366672863 /nfs/dbraw/zinc/67/28/63/366672863.db2.gz DGLKQDHSOMEQMQ-AAEUAGOBSA-N 2 1 249.358 1.835 20 0 BDADMP Cc1cc(C[NH2+]CCC[NH+]2CCCC2)n(C)n1 ZINC000089183963 359998282 /nfs/dbraw/zinc/99/82/82/359998282.db2.gz VVTZPDFHHZUMNT-UHFFFAOYSA-N 2 1 236.363 1.304 20 0 BDADMP CCn1cncc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000090172142 360061102 /nfs/dbraw/zinc/06/11/02/360061102.db2.gz QVQZSYDDLHTRJE-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1cncc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000090172142 360061107 /nfs/dbraw/zinc/06/11/07/360061107.db2.gz QVQZSYDDLHTRJE-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1cncc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000090172144 360061223 /nfs/dbraw/zinc/06/12/23/360061223.db2.gz QVQZSYDDLHTRJE-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1cncc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000090172144 360061226 /nfs/dbraw/zinc/06/12/26/360061226.db2.gz QVQZSYDDLHTRJE-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@@H+]1C ZINC000090795390 360089219 /nfs/dbraw/zinc/08/92/19/360089219.db2.gz UQESGWNYRRFFNH-GHMZBOCLSA-N 2 1 249.362 1.437 20 0 BDADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@H+]1C ZINC000090795390 360089223 /nfs/dbraw/zinc/08/92/23/360089223.db2.gz UQESGWNYRRFFNH-GHMZBOCLSA-N 2 1 249.362 1.437 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090800842 360090665 /nfs/dbraw/zinc/09/06/65/360090665.db2.gz MCIKLZZUXMBKOU-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP CN(Cc1ccnn1C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253798 360159509 /nfs/dbraw/zinc/15/95/09/360159509.db2.gz JRNVFYJYCOCGEM-LBPRGKRZSA-N 2 1 236.363 1.194 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000082584221 491149311 /nfs/dbraw/zinc/14/93/11/491149311.db2.gz UEJIEOJZOVMIMC-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)COC2)CC[N@H+]1C ZINC000156307829 360963788 /nfs/dbraw/zinc/96/37/88/360963788.db2.gz IHBDRLDVNRTTAW-MNOVXSKESA-N 2 1 212.337 1.095 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CCCCO ZINC000309623718 491152999 /nfs/dbraw/zinc/15/29/99/491152999.db2.gz FUTBLYJIICXSCJ-STQMWFEESA-N 2 1 230.396 1.857 20 0 BDADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000156258874 360959264 /nfs/dbraw/zinc/95/92/64/360959264.db2.gz YYFYXFAXAUQNSB-UTUOFQBUSA-N 2 1 213.369 1.009 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000629405432 361052406 /nfs/dbraw/zinc/05/24/06/361052406.db2.gz AQJYEUPNUSCTFK-IVZWLZJFSA-N 2 1 200.351 1.222 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000629409804 361059777 /nfs/dbraw/zinc/05/97/77/361059777.db2.gz NEOTYQUVIMYQBF-QJPTWQEYSA-N 2 1 212.337 1.142 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629519280 361120213 /nfs/dbraw/zinc/12/02/13/361120213.db2.gz OITXLURMDLCRQV-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1cncc(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000629527243 361129712 /nfs/dbraw/zinc/12/97/12/361129712.db2.gz PGLLJHZHDLLMHD-UHFFFAOYSA-N 2 1 219.332 1.703 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1)C1CC1 ZINC000629528444 361137420 /nfs/dbraw/zinc/13/74/20/361137420.db2.gz ZIGPMZLXGJAMBN-FPMFFAJLSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)C1CC1 ZINC000629530680 361145883 /nfs/dbraw/zinc/14/58/83/361145883.db2.gz NHXYJVDIIDJGRA-STQMWFEESA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccncc1 ZINC000629522324 361122740 /nfs/dbraw/zinc/12/27/40/361122740.db2.gz ZUFCNUPPHZTQJW-CYBMUJFWSA-N 2 1 249.358 1.630 20 0 BDADMP CC(C)CC[C@@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000629524573 361124190 /nfs/dbraw/zinc/12/41/90/361124190.db2.gz SSJWWGJOZXRLDB-FRRDWIJNSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000629524577 361124636 /nfs/dbraw/zinc/12/46/36/361124636.db2.gz SSJWWGJOZXRLDB-XQQFMLRXSA-N 2 1 228.380 1.514 20 0 BDADMP COCCCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000158525502 361201886 /nfs/dbraw/zinc/20/18/86/361201886.db2.gz SXDNLYHRAIDRIK-GFCCVEGCSA-N 2 1 216.369 1.718 20 0 BDADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000158590222 361202964 /nfs/dbraw/zinc/20/29/64/361202964.db2.gz SXSJKYREIGUMPP-SDDRHHMPSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000622044813 370677028 /nfs/dbraw/zinc/67/70/28/370677028.db2.gz TYVGRBKPIHNVIT-LOWDOPEQSA-N 3 1 225.380 1.234 20 0 BDADMP CC[C@H](CSC)[NH2+]C1CC[NH+](C)CC1 ZINC000162368615 361347797 /nfs/dbraw/zinc/34/77/97/361347797.db2.gz YBYRPEXDNHNLOP-SNVBAGLBSA-N 2 1 216.394 1.812 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429540024 201111475 /nfs/dbraw/zinc/11/14/75/201111475.db2.gz SAGHQGPTVNUJLY-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)[C@H](C)CNCc1c[nH+]c(C)n1C ZINC000579376930 366775462 /nfs/dbraw/zinc/77/54/62/366775462.db2.gz GNQQWHIMLFATDF-LLVKDONJSA-N 2 1 238.379 1.548 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429560504 201116526 /nfs/dbraw/zinc/11/65/26/201116526.db2.gz ZHVXYBQCALZFQP-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CCO[C@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CC1 ZINC000629543637 361412989 /nfs/dbraw/zinc/41/29/89/361412989.db2.gz BBIVITCUGZMIKE-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CC1 ZINC000629543637 361412992 /nfs/dbraw/zinc/41/29/92/361412992.db2.gz BBIVITCUGZMIKE-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429588693 201121380 /nfs/dbraw/zinc/12/13/80/201121380.db2.gz LTVBHNRGVHVWCZ-NSHDSACASA-N 2 1 249.358 1.987 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC000629540999 361415275 /nfs/dbraw/zinc/41/52/75/361415275.db2.gz ZLGGRXFZBWPOFW-SYQHCUMBSA-N 3 1 239.407 1.447 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629535450 361409990 /nfs/dbraw/zinc/40/99/90/361409990.db2.gz CWNJVRCRXSCVTI-UKKRHICBSA-N 2 1 200.326 1.140 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000629546838 361429054 /nfs/dbraw/zinc/42/90/54/361429054.db2.gz XWYFIPVAZWRIED-ZOLYEBIHSA-N 2 1 238.375 1.530 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCCC2 ZINC000629553465 361438386 /nfs/dbraw/zinc/43/83/86/361438386.db2.gz QLVYJTMSYWWPDI-UPJWGTAASA-N 2 1 238.375 1.676 20 0 BDADMP CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564490 361459500 /nfs/dbraw/zinc/45/95/00/361459500.db2.gz LNBAQWNDAKEFFC-BDAKNGLRSA-N 2 1 224.270 1.856 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000629570195 361459586 /nfs/dbraw/zinc/45/95/86/361459586.db2.gz JGWIQPANORXSOW-LBPRGKRZSA-N 2 1 237.347 1.310 20 0 BDADMP CC(C)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583667 361467894 /nfs/dbraw/zinc/46/78/94/361467894.db2.gz ICPLFCDVUOJULP-BETUJISGSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629576776 361468179 /nfs/dbraw/zinc/46/81/79/361468179.db2.gz SXIMZBLDWRAODI-VHSXEESVSA-N 2 1 218.291 1.716 20 0 BDADMP FCC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629580707 361469847 /nfs/dbraw/zinc/46/98/47/361469847.db2.gz FACFRZGVFOCJMN-VXGBXAGGSA-N 2 1 230.327 1.046 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cncc(Cl)c1 ZINC000629580735 361469854 /nfs/dbraw/zinc/46/98/54/361469854.db2.gz GCXVKLKRZOOLKS-UHFFFAOYSA-N 2 1 243.738 1.142 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430951100 201159924 /nfs/dbraw/zinc/15/99/24/201159924.db2.gz KMYSKTHRTPAPSM-LLVKDONJSA-N 2 1 237.347 1.587 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430951100 201159925 /nfs/dbraw/zinc/15/99/25/201159925.db2.gz KMYSKTHRTPAPSM-LLVKDONJSA-N 2 1 237.347 1.587 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC2(CC2)CC1 ZINC000629586779 361475268 /nfs/dbraw/zinc/47/52/68/361475268.db2.gz VDWWUYBYJFWXDE-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000433168724 201163611 /nfs/dbraw/zinc/16/36/11/201163611.db2.gz ODLRBYQMGSERSL-GFCCVEGCSA-N 2 1 243.395 1.065 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1CCOCC1)C2 ZINC000629593694 361484599 /nfs/dbraw/zinc/48/45/99/361484599.db2.gz IFXDPFVDZDAWTI-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCF)CC[C@@H]1C(F)(F)F ZINC000629563347 361454769 /nfs/dbraw/zinc/45/47/69/361454769.db2.gz PKVORAMNVJSYNI-BDAKNGLRSA-N 2 1 242.260 1.805 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC(F)(F)CC1 ZINC000629560103 361455478 /nfs/dbraw/zinc/45/54/78/361455478.db2.gz XGYXZXZHMTXSEW-JTQLQIEISA-N 2 1 236.306 1.078 20 0 BDADMP COCc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)o1 ZINC000629647650 361537315 /nfs/dbraw/zinc/53/73/15/361537315.db2.gz DAJFKZOYQNTGGY-NSHDSACASA-N 2 1 238.331 1.515 20 0 BDADMP CCCC[C@@H](CN)[NH2+]Cc1ccn(C)c1 ZINC000629647699 361537329 /nfs/dbraw/zinc/53/73/29/361537329.db2.gz FFKJZPQHCLNCCB-LBPRGKRZSA-N 2 1 209.337 1.632 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccn(C)c1 ZINC000629647699 361537334 /nfs/dbraw/zinc/53/73/34/361537334.db2.gz FFKJZPQHCLNCCB-LBPRGKRZSA-N 2 1 209.337 1.632 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629655568 361560281 /nfs/dbraw/zinc/56/02/81/361560281.db2.gz ZTMOBAVEBBUPDG-ZDEQEGDKSA-N 2 1 225.380 1.105 20 0 BDADMP CCC[NH2+]CC[NH2+]CC1(OC)CCCC1 ZINC000629648097 361539103 /nfs/dbraw/zinc/53/91/03/361539103.db2.gz ODPKDPDOPWWGSG-UHFFFAOYSA-N 2 1 214.353 1.535 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648508 361540369 /nfs/dbraw/zinc/54/03/69/361540369.db2.gz QAGRBFPZLNJKRV-BZPMIXESSA-N 2 1 238.375 1.638 20 0 BDADMP C[C@H]([N@@H+](C)CC[C@H]1CCC[NH+]1C)C(C)(C)O ZINC000448546766 201202408 /nfs/dbraw/zinc/20/24/08/201202408.db2.gz MFMPEHSLLNKQFI-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]([NH+](C)CC[C@H]1CCC[N@@H+]1C)C(C)(C)O ZINC000448546766 201202411 /nfs/dbraw/zinc/20/24/11/201202411.db2.gz MFMPEHSLLNKQFI-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]([NH+](C)CC[C@H]1CCC[N@H+]1C)C(C)(C)O ZINC000448546766 201202414 /nfs/dbraw/zinc/20/24/14/201202414.db2.gz MFMPEHSLLNKQFI-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629652017 361549959 /nfs/dbraw/zinc/54/99/59/361549959.db2.gz SMRINGNBAKYAMF-WCQYABFASA-N 2 1 221.348 1.584 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC1(C)CCC1 ZINC000629653158 361551266 /nfs/dbraw/zinc/55/12/66/361551266.db2.gz GOBUSUDNDZMEDI-UHFFFAOYSA-N 2 1 214.353 1.344 20 0 BDADMP C[N@H+](CC1=Cc2ccccc2OC1)C1CC([NH3+])C1 ZINC000629652970 361551295 /nfs/dbraw/zinc/55/12/95/361551295.db2.gz GSCWJSHRTQWJAA-UHFFFAOYSA-N 2 1 244.338 1.884 20 0 BDADMP C[N@@H+](CC1=Cc2ccccc2OC1)C1CC([NH3+])C1 ZINC000629652970 361551298 /nfs/dbraw/zinc/55/12/98/361551298.db2.gz GSCWJSHRTQWJAA-UHFFFAOYSA-N 2 1 244.338 1.884 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000629653659 361553662 /nfs/dbraw/zinc/55/36/62/361553662.db2.gz LQVIPPZMJDXQGE-LBPRGKRZSA-N 2 1 230.396 1.836 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](CCF)C2)CC[NH2+]1 ZINC000629666481 361587760 /nfs/dbraw/zinc/58/77/60/361587760.db2.gz REMFRRTWIXWUHB-FRRDWIJNSA-N 2 1 244.354 1.435 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCSC1)C2 ZINC000629669854 361589841 /nfs/dbraw/zinc/58/98/41/361589841.db2.gz YHRSPDAFQPYQLX-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP CC[N@H+](Cc1cnn(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435389115 201266995 /nfs/dbraw/zinc/26/69/95/201266995.db2.gz JBHLDBXBPICKCZ-CYBMUJFWSA-N 2 1 236.363 1.384 20 0 BDADMP CC[N@@H+](Cc1cnn(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435389115 201266998 /nfs/dbraw/zinc/26/69/98/201266998.db2.gz JBHLDBXBPICKCZ-CYBMUJFWSA-N 2 1 236.363 1.384 20 0 BDADMP C[NH2+]CCC[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000435875666 201291536 /nfs/dbraw/zinc/29/15/36/201291536.db2.gz DVJSXMJLPWYZMM-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000155735968 201348760 /nfs/dbraw/zinc/34/87/60/201348760.db2.gz KHIMKAGBPJIWIM-OLZOCXBDSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155735968 201348764 /nfs/dbraw/zinc/34/87/64/201348764.db2.gz KHIMKAGBPJIWIM-OLZOCXBDSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155735968 201348767 /nfs/dbraw/zinc/34/87/67/201348767.db2.gz KHIMKAGBPJIWIM-OLZOCXBDSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000155736086 201350219 /nfs/dbraw/zinc/35/02/19/201350219.db2.gz KHIMKAGBPJIWIM-STQMWFEESA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000155736086 201350222 /nfs/dbraw/zinc/35/02/22/201350222.db2.gz KHIMKAGBPJIWIM-STQMWFEESA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000155736086 201350224 /nfs/dbraw/zinc/35/02/24/201350224.db2.gz KHIMKAGBPJIWIM-STQMWFEESA-N 2 1 227.396 1.399 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+]CC[NH+]1CCCCCC1 ZINC000438070714 201384854 /nfs/dbraw/zinc/38/48/54/201384854.db2.gz IHWSUHHDRBPPCH-AWEZNQCLSA-N 2 1 240.391 1.879 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438207654 201399488 /nfs/dbraw/zinc/39/94/88/201399488.db2.gz AEBULTOZUMXLBR-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+]CC(F)(F)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000332430409 181358191 /nfs/dbraw/zinc/35/81/91/181358191.db2.gz VDHVMHFBSAGJTE-OUAUKWLOSA-N 2 1 247.333 1.091 20 0 BDADMP CC[C@@]1(C)CN(CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000135677812 364447183 /nfs/dbraw/zinc/44/71/83/364447183.db2.gz XWOJHTKBJPHDDU-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399034814 364738001 /nfs/dbraw/zinc/73/80/01/364738001.db2.gz OAHIQJICFPGSMV-QWRGUYRKSA-N 2 1 214.353 1.389 20 0 BDADMP C[N@@H+](C[C@H]1CCCC[C@H]1O)CC(C)(C)C[NH3+] ZINC000328191100 364817288 /nfs/dbraw/zinc/81/72/88/364817288.db2.gz PKWHZRJNKJCTCF-VXGBXAGGSA-N 2 1 228.380 1.454 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000328317587 364826815 /nfs/dbraw/zinc/82/68/15/364826815.db2.gz CVZLSHZRIXVGMF-MGPQQGTHSA-N 2 1 238.375 1.223 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000328533580 364868585 /nfs/dbraw/zinc/86/85/85/364868585.db2.gz ZCNUTKSFCHQFGP-FVCCEPFGSA-N 2 1 226.364 1.207 20 0 BDADMP [NH3+]CCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000036732160 181380375 /nfs/dbraw/zinc/38/03/75/181380375.db2.gz FTTVVYULJWWQGA-ZDUSSCGKSA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CO ZINC000574308216 365033234 /nfs/dbraw/zinc/03/32/34/365033234.db2.gz SIGDUYNOCAPLHZ-QWHCGFSZSA-N 2 1 220.316 1.148 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000443068983 193012268 /nfs/dbraw/zinc/01/22/68/193012268.db2.gz JCERXWVVVKLPLL-LBPRGKRZSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccnn1C ZINC000192250946 365303156 /nfs/dbraw/zinc/30/31/56/365303156.db2.gz LQOZKRHEKXSACH-RYUDHWBXSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccnn1C ZINC000192250946 365303163 /nfs/dbraw/zinc/30/31/63/365303163.db2.gz LQOZKRHEKXSACH-RYUDHWBXSA-N 2 1 236.363 1.413 20 0 BDADMP CCCC[N@@H+](CCCO)CCC[NH+]1CCCC1 ZINC000182149029 366870331 /nfs/dbraw/zinc/87/03/31/366870331.db2.gz GSMNLWFMOXEBEX-UHFFFAOYSA-N 2 1 242.407 1.957 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000575935033 365421488 /nfs/dbraw/zinc/42/14/88/365421488.db2.gz CNVSHRBEBNEZMW-MXWKQRLJSA-N 2 1 234.347 1.127 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CCOCC1 ZINC000399085054 365426523 /nfs/dbraw/zinc/42/65/23/365426523.db2.gz UGFOWHXWKPRJCR-NQBHXWOUSA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000575980129 365432676 /nfs/dbraw/zinc/43/26/76/365432676.db2.gz UTHDCHIRKXVEBU-TZMCWYRMSA-N 2 1 239.407 1.447 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1CCC12CCOCC2 ZINC000576099190 365482452 /nfs/dbraw/zinc/48/24/52/365482452.db2.gz GVCDOQBIPDQIQS-LBPRGKRZSA-N 2 1 226.364 1.535 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CC1(CO)CC1 ZINC000579608730 366905405 /nfs/dbraw/zinc/90/54/05/366905405.db2.gz BEIFIMBQXWRKKZ-UHFFFAOYSA-N 2 1 237.347 1.057 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC1(CO)CC1 ZINC000579608730 366905410 /nfs/dbraw/zinc/90/54/10/366905410.db2.gz BEIFIMBQXWRKKZ-UHFFFAOYSA-N 2 1 237.347 1.057 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccnn1C ZINC000579701240 366983018 /nfs/dbraw/zinc/98/30/18/366983018.db2.gz QTELWCHNMWVBHE-JTQLQIEISA-N 2 1 210.325 1.070 20 0 BDADMP C[C@H]([NH2+]CCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709784 367140537 /nfs/dbraw/zinc/14/05/37/367140537.db2.gz BEJYEARRYAQAPZ-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000380321515 367178358 /nfs/dbraw/zinc/17/83/58/367178358.db2.gz KPTWKOUKPQMKMT-FRRDWIJNSA-N 2 1 210.365 1.962 20 0 BDADMP C(C1CCC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887775 370852463 /nfs/dbraw/zinc/85/24/63/370852463.db2.gz QGVDHSQRBYQSAE-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP C(C1CCC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887775 370852467 /nfs/dbraw/zinc/85/24/67/370852467.db2.gz QGVDHSQRBYQSAE-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@@]1(C)CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000580897311 367202325 /nfs/dbraw/zinc/20/23/25/367202325.db2.gz KRYSHKHBYINUHI-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP c1cc2c(nc[nH+]c2NCC[C@H]2CCC[NH2+]C2)[nH]1 ZINC000581122457 367268249 /nfs/dbraw/zinc/26/82/49/367268249.db2.gz PFRMFHRVHVFCTG-SNVBAGLBSA-N 2 1 245.330 1.711 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc2c1OCO2 ZINC000581020390 367238632 /nfs/dbraw/zinc/23/86/32/367238632.db2.gz WLFTUNHSLFPMSG-PWSUYJOCSA-N 2 1 248.326 1.727 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2c1OCO2 ZINC000581020390 367238636 /nfs/dbraw/zinc/23/86/36/367238636.db2.gz WLFTUNHSLFPMSG-PWSUYJOCSA-N 2 1 248.326 1.727 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000581194252 367290590 /nfs/dbraw/zinc/29/05/90/367290590.db2.gz YFRLCPWIBWRMFN-FIQHERPVSA-N 2 1 241.379 1.101 20 0 BDADMP Cc1c[nH+]ccc1NCC(C)(C)[NH+]1CCOCC1 ZINC000195333855 367354519 /nfs/dbraw/zinc/35/45/19/367354519.db2.gz OZOHOUBCHAKFLQ-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)CCO1 ZINC000381378359 367390537 /nfs/dbraw/zinc/39/05/37/367390537.db2.gz JQZFYBMSSHLJPC-MNOVXSKESA-N 2 1 223.320 1.120 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000383083612 367594488 /nfs/dbraw/zinc/59/44/88/367594488.db2.gz USSIHOHOBWXIKC-XUXIUFHCSA-N 2 1 240.391 1.739 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CCCC[C@@H]1O ZINC000383083612 367594493 /nfs/dbraw/zinc/59/44/93/367594493.db2.gz USSIHOHOBWXIKC-XUXIUFHCSA-N 2 1 240.391 1.739 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]CC1 ZINC000383280611 367611030 /nfs/dbraw/zinc/61/10/30/367611030.db2.gz IJBYSJRBHCTZJV-MELADBBJSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000384566456 367700720 /nfs/dbraw/zinc/70/07/20/367700720.db2.gz ILPPGGHIPBEFDW-CKYFFXLPSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000384545358 367698356 /nfs/dbraw/zinc/69/83/56/367698356.db2.gz HJMHFVRBNOCQAI-ZOBORPQBSA-N 2 1 242.407 1.713 20 0 BDADMP CCC[NH+]1CCC([NH2+]C(COC)COC)CC1 ZINC000384880075 367749156 /nfs/dbraw/zinc/74/91/56/367749156.db2.gz UHCFZLLBQFZTCM-UHFFFAOYSA-N 2 1 244.379 1.112 20 0 BDADMP CCc1nc(N(C)C2CC([NH3+])C2)cc(C)[nH+]1 ZINC000384882849 367750582 /nfs/dbraw/zinc/75/05/82/367750582.db2.gz IWYQZMBSABBQGQ-UHFFFAOYSA-N 2 1 220.320 1.273 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000384660318 367712887 /nfs/dbraw/zinc/71/28/87/367712887.db2.gz VWZKBCRDYOEPIF-NQBHXWOUSA-N 2 1 226.364 1.626 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000385077127 367784182 /nfs/dbraw/zinc/78/41/82/367784182.db2.gz XTHJIYABESNUDG-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CC[N@H+]1C ZINC000566185305 326008901 /nfs/dbraw/zinc/00/89/01/326008901.db2.gz AZNLGRBAGXCKGJ-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386027234 367900545 /nfs/dbraw/zinc/90/05/45/367900545.db2.gz QAVVDMFQRATZKP-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]CCc1ccncc1)[C@@H]1CCCC[NH2+]1 ZINC000386553326 367989999 /nfs/dbraw/zinc/98/99/99/367989999.db2.gz HJAZTTLGPDEYER-OCCSQVGLSA-N 2 1 233.359 1.744 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386578038 367994909 /nfs/dbraw/zinc/99/49/09/367994909.db2.gz NUYNRRZHETVVHQ-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP COC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523413 368471260 /nfs/dbraw/zinc/47/12/60/368471260.db2.gz CSAIOSISTKVEOI-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000253192740 368612715 /nfs/dbraw/zinc/61/27/15/368612715.db2.gz NRFDRRRMWYNWEA-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000253192740 368612717 /nfs/dbraw/zinc/61/27/17/368612717.db2.gz NRFDRRRMWYNWEA-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP OCCCCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000066665137 368657153 /nfs/dbraw/zinc/65/71/53/368657153.db2.gz HFLQYPNCXRHGGZ-CQSZACIVSA-N 2 1 240.391 1.709 20 0 BDADMP OCCCCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066665137 368657157 /nfs/dbraw/zinc/65/71/57/368657157.db2.gz HFLQYPNCXRHGGZ-CQSZACIVSA-N 2 1 240.391 1.709 20 0 BDADMP CC[C@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154513836 326147723 /nfs/dbraw/zinc/14/77/23/326147723.db2.gz JEXRTBOQFYXLRM-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000111320308 368857010 /nfs/dbraw/zinc/85/70/10/368857010.db2.gz RMVQYHBINMRXKQ-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631821750 368975096 /nfs/dbraw/zinc/97/50/96/368975096.db2.gz HYNWUVIMRGDYNC-WUHRBBMRSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657684 368998991 /nfs/dbraw/zinc/99/89/91/368998991.db2.gz WNNUXEHPIZMDFU-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657685 368999517 /nfs/dbraw/zinc/99/95/17/368999517.db2.gz WNNUXEHPIZMDFU-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000091008693 369004013 /nfs/dbraw/zinc/00/40/13/369004013.db2.gz ZGHOHYFWQIXYOJ-CQSZACIVSA-N 2 1 235.375 1.845 20 0 BDADMP CCN(C)C(=O)CC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834648 369034672 /nfs/dbraw/zinc/03/46/72/369034672.db2.gz CGYKZNADBBUKEJ-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP CCN(C)C(=O)CC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834648 369034677 /nfs/dbraw/zinc/03/46/77/369034677.db2.gz CGYKZNADBBUKEJ-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000623655864 368991965 /nfs/dbraw/zinc/99/19/65/368991965.db2.gz HTHXUFDHGVGVBO-ZDUSSCGKSA-N 2 1 221.348 1.836 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000623656373 368992776 /nfs/dbraw/zinc/99/27/76/368992776.db2.gz SSVPHBIYFNJAGY-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000459725015 203343089 /nfs/dbraw/zinc/34/30/89/203343089.db2.gz AWJXLIWBAVECNP-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc[nH]n2)C1 ZINC000459737686 203346535 /nfs/dbraw/zinc/34/65/35/203346535.db2.gz RPXUJXWJTVWPDY-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP CCOC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459744940 203348479 /nfs/dbraw/zinc/34/84/79/203348479.db2.gz YHIOPOJZWAZBRZ-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H](COC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459779629 203364468 /nfs/dbraw/zinc/36/44/68/203364468.db2.gz LLLNEIVVSCZMHG-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CCCOC2)C1 ZINC000459744733 203351848 /nfs/dbraw/zinc/35/18/48/203351848.db2.gz XTLUFZMAESMYOS-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP FC(F)COCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889763 370990802 /nfs/dbraw/zinc/99/08/02/370990802.db2.gz MEMBZAYGCYDVTQ-WDEREUQCSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)COCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889763 370990803 /nfs/dbraw/zinc/99/08/03/370990803.db2.gz MEMBZAYGCYDVTQ-WDEREUQCSA-N 2 1 248.317 1.342 20 0 BDADMP C[C@H](c1ccncc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251243111 369745101 /nfs/dbraw/zinc/74/51/01/369745101.db2.gz GQAUYCCWDWZNAR-WXHSDQCUSA-N 2 1 217.316 1.294 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nccs1 ZINC000309711396 370247788 /nfs/dbraw/zinc/24/77/88/370247788.db2.gz QSIMHQLYODJIRT-UHFFFAOYSA-N 2 1 236.344 1.828 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1CO ZINC000621372525 370311963 /nfs/dbraw/zinc/31/19/63/370311963.db2.gz XBEQLIWEWXGXTF-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1CO ZINC000621372525 370311964 /nfs/dbraw/zinc/31/19/64/370311964.db2.gz XBEQLIWEWXGXTF-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1CO ZINC000621372525 370311968 /nfs/dbraw/zinc/31/19/68/370311968.db2.gz XBEQLIWEWXGXTF-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000568238551 326332316 /nfs/dbraw/zinc/33/23/16/326332316.db2.gz XKESUTKQDRLRCP-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000621774418 370519986 /nfs/dbraw/zinc/51/99/86/370519986.db2.gz SVERGSYBRVRYMZ-WCQYABFASA-N 2 1 236.363 1.115 20 0 BDADMP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccn1 ZINC000621775317 370517559 /nfs/dbraw/zinc/51/75/59/370517559.db2.gz LNRGNEJLKXMDGF-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)ccn1 ZINC000621775317 370517565 /nfs/dbraw/zinc/51/75/65/370517565.db2.gz LNRGNEJLKXMDGF-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000621785040 370538240 /nfs/dbraw/zinc/53/82/40/370538240.db2.gz YCGDLSLHVNDTDB-ITGHMWBKSA-N 2 1 220.360 1.846 20 0 BDADMP CCn1nccc1CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000621775050 370521827 /nfs/dbraw/zinc/52/18/27/370521827.db2.gz DZTHIYRDMJJNIS-CYBMUJFWSA-N 2 1 236.363 1.163 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000621776737 370526236 /nfs/dbraw/zinc/52/62/36/370526236.db2.gz UZJBHOAOQNLMEY-CHWSQXEVSA-N 2 1 219.332 1.750 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000623786534 371092707 /nfs/dbraw/zinc/09/27/07/371092707.db2.gz WMABSQNIQCQQLA-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623786534 371092712 /nfs/dbraw/zinc/09/27/12/371092712.db2.gz WMABSQNIQCQQLA-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623786534 371092715 /nfs/dbraw/zinc/09/27/15/371092715.db2.gz WMABSQNIQCQQLA-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623786534 371092717 /nfs/dbraw/zinc/09/27/17/371092717.db2.gz WMABSQNIQCQQLA-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623786534 371092719 /nfs/dbraw/zinc/09/27/19/371092719.db2.gz WMABSQNIQCQQLA-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000624216843 371403878 /nfs/dbraw/zinc/40/38/78/371403878.db2.gz RXUAAMCHMLWNBN-NDKCEZKHSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@@H](O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230024013 371636699 /nfs/dbraw/zinc/63/66/99/371636699.db2.gz GEWBKWHIINRGGU-GFCCVEGCSA-N 2 1 222.332 1.218 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)cc1 ZINC000401806037 371821028 /nfs/dbraw/zinc/82/10/28/371821028.db2.gz QEIWVVZLRIZBEI-UHFFFAOYSA-N 2 1 233.290 1.892 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C(F)F)CC[N@H+]1C ZINC000631697701 372510500 /nfs/dbraw/zinc/51/05/00/372510500.db2.gz OOMGPTHPWFIGNX-UTLUCORTSA-N 2 1 236.306 1.075 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC000631821013 372594614 /nfs/dbraw/zinc/59/46/14/372594614.db2.gz MLDQVKCRWJKIMO-ZDUSSCGKSA-N 2 1 233.359 1.787 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000631827837 372607410 /nfs/dbraw/zinc/60/74/10/372607410.db2.gz XTARFWQPDZRXNI-UMSGYPCISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000631827837 372607416 /nfs/dbraw/zinc/60/74/16/372607416.db2.gz XTARFWQPDZRXNI-UMSGYPCISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000631827838 372607830 /nfs/dbraw/zinc/60/78/30/372607830.db2.gz XTARFWQPDZRXNI-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000631827838 372607831 /nfs/dbraw/zinc/60/78/31/372607831.db2.gz XTARFWQPDZRXNI-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000631827199 372607874 /nfs/dbraw/zinc/60/78/74/372607874.db2.gz HUBKJBHPKQCBFD-FVCCEPFGSA-N 2 1 226.364 1.532 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCCO1)C2 ZINC000631830668 372614670 /nfs/dbraw/zinc/61/46/70/372614670.db2.gz YMVANNUNFRUACK-XQQFMLRXSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCCO1)C2 ZINC000631830668 372614676 /nfs/dbraw/zinc/61/46/76/372614676.db2.gz YMVANNUNFRUACK-XQQFMLRXSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+][C@H]1CCCCC[N@H+](CCc2cccnc2)C1 ZINC000631833548 372618400 /nfs/dbraw/zinc/61/84/00/372618400.db2.gz CQPMSKZXPWWZQC-AWEZNQCLSA-N 2 1 233.359 1.827 20 0 BDADMP [NH3+][C@H]1CCCCC[N@@H+](CCc2cccnc2)C1 ZINC000631833548 372618405 /nfs/dbraw/zinc/61/84/05/372618405.db2.gz CQPMSKZXPWWZQC-AWEZNQCLSA-N 2 1 233.359 1.827 20 0 BDADMP CC(C)COCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835182 372623294 /nfs/dbraw/zinc/62/32/94/372623294.db2.gz OBUABQIZQMATHY-ZDUSSCGKSA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)COCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835182 372623300 /nfs/dbraw/zinc/62/33/00/372623300.db2.gz OBUABQIZQMATHY-ZDUSSCGKSA-N 2 1 228.380 1.862 20 0 BDADMP CCO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000631837009 372625168 /nfs/dbraw/zinc/62/51/68/372625168.db2.gz LLWKXASGCSEEPY-RAIGVLPGSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000631838327 372631406 /nfs/dbraw/zinc/63/14/06/372631406.db2.gz MBTKSTBJAZVMSZ-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000631838327 372631413 /nfs/dbraw/zinc/63/14/13/372631413.db2.gz MBTKSTBJAZVMSZ-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@H]1CCCCO1 ZINC000631863066 372665142 /nfs/dbraw/zinc/66/51/42/372665142.db2.gz XHDKUZWUXKMHQB-GRYCIOLGSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@H]1CCCCO1 ZINC000631863066 372665146 /nfs/dbraw/zinc/66/51/46/372665146.db2.gz XHDKUZWUXKMHQB-GRYCIOLGSA-N 2 1 212.337 1.367 20 0 BDADMP FC(F)[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000631865807 372666652 /nfs/dbraw/zinc/66/66/52/372666652.db2.gz ONBAVKDNWJFJQS-WDEREUQCSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000631865807 372666654 /nfs/dbraw/zinc/66/66/54/372666654.db2.gz ONBAVKDNWJFJQS-WDEREUQCSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000631865803 372666667 /nfs/dbraw/zinc/66/66/67/372666667.db2.gz ONBAVKDNWJFJQS-MNOVXSKESA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000631865803 372666672 /nfs/dbraw/zinc/66/66/72/372666672.db2.gz ONBAVKDNWJFJQS-MNOVXSKESA-N 2 1 248.317 1.342 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)OCC1CC1 ZINC000631887973 372681193 /nfs/dbraw/zinc/68/11/93/372681193.db2.gz SEDAOKMUSBNYQD-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631890960 372687102 /nfs/dbraw/zinc/68/71/02/372687102.db2.gz WQSZCBMZYAXXFL-GXTWGEPZSA-N 2 1 231.343 1.656 20 0 BDADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631890960 372687104 /nfs/dbraw/zinc/68/71/04/372687104.db2.gz WQSZCBMZYAXXFL-GXTWGEPZSA-N 2 1 231.343 1.656 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000069626370 373547277 /nfs/dbraw/zinc/54/72/77/373547277.db2.gz USLRSYUIMLQUQH-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000224548839 259576060 /nfs/dbraw/zinc/57/60/60/259576060.db2.gz AMODOLHEMRSXOD-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP OCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000076855575 183070800 /nfs/dbraw/zinc/07/08/00/183070800.db2.gz DEAFASFBMPBKSL-UHFFFAOYSA-N 2 1 234.343 1.233 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC000336707413 169077998 /nfs/dbraw/zinc/07/79/98/169077998.db2.gz ORXNESXIJPMFSR-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336707413 169078000 /nfs/dbraw/zinc/07/80/00/169078000.db2.gz ORXNESXIJPMFSR-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336707413 169078002 /nfs/dbraw/zinc/07/80/02/169078002.db2.gz ORXNESXIJPMFSR-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](CCC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043401998 169151259 /nfs/dbraw/zinc/15/12/59/169151259.db2.gz QBDBEFHCGCTYIZ-UHFFFAOYSA-N 2 1 240.351 1.885 20 0 BDADMP CCC[N@H+](CCO)CCCCn1cc[nH+]c1C ZINC000125467316 169165461 /nfs/dbraw/zinc/16/54/61/169165461.db2.gz BOZFSJWGQZZESP-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP CCC[N@@H+](CCO)CCCCn1cc[nH+]c1C ZINC000125467316 169165463 /nfs/dbraw/zinc/16/54/63/169165463.db2.gz BOZFSJWGQZZESP-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC000336694311 169187039 /nfs/dbraw/zinc/18/70/39/169187039.db2.gz IZXCYIYCCKMNBF-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP c1[nH]nc2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000333234859 183320138 /nfs/dbraw/zinc/32/01/38/183320138.db2.gz CVHAWEYMLGWHQH-NWDGAFQWSA-N 2 1 234.347 1.519 20 0 BDADMP CCC[N@H+]1CCCN(CC[NH+](CC)CC)CC1 ZINC000369623457 169193342 /nfs/dbraw/zinc/19/33/42/169193342.db2.gz VDEGOLFTOMXTTG-UHFFFAOYSA-N 2 1 241.423 1.746 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+]([C@@H]3CCOC3)C2)n1 ZINC000336553996 183327553 /nfs/dbraw/zinc/32/75/53/183327553.db2.gz YZHYVBONUNSFDT-GHMZBOCLSA-N 2 1 221.304 1.378 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCOCC1 ZINC000336778689 169196174 /nfs/dbraw/zinc/19/61/74/169196174.db2.gz MARKLTPUYFZZRC-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCOCC1 ZINC000336778689 169196175 /nfs/dbraw/zinc/19/61/75/169196175.db2.gz MARKLTPUYFZZRC-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000161765134 169206838 /nfs/dbraw/zinc/20/68/38/169206838.db2.gz AOJMNDMIMQRAPE-ZDUSSCGKSA-N 2 1 235.375 1.847 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124197366 169207255 /nfs/dbraw/zinc/20/72/55/169207255.db2.gz OYVVHHFJBPSCIO-AWEZNQCLSA-N 2 1 235.375 1.847 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000106868305 183353980 /nfs/dbraw/zinc/35/39/80/183353980.db2.gz YSVXISZSSYYNNN-UONOGXRCSA-N 2 1 231.343 1.798 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000106868305 183353981 /nfs/dbraw/zinc/35/39/81/183353981.db2.gz YSVXISZSSYYNNN-UONOGXRCSA-N 2 1 231.343 1.798 20 0 BDADMP CCCNC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123723860 169244670 /nfs/dbraw/zinc/24/46/70/169244670.db2.gz NUEZOQRFDSXSRA-RYUDHWBXSA-N 2 1 243.395 1.206 20 0 BDADMP CCCNC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123723860 169244672 /nfs/dbraw/zinc/24/46/72/169244672.db2.gz NUEZOQRFDSXSRA-RYUDHWBXSA-N 2 1 243.395 1.206 20 0 BDADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222908991 134336313 /nfs/dbraw/zinc/33/63/13/134336313.db2.gz BFMIDVPFBFLHAT-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC1CC[NH+](C)CC1 ZINC000226318239 134360500 /nfs/dbraw/zinc/36/05/00/134360500.db2.gz OJZHXRFVNMJZQX-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP COCCCCC[N@@H+]1CCC[NH2+]CC1 ZINC000226414495 134365665 /nfs/dbraw/zinc/36/56/65/134365665.db2.gz SUNLWNOGQILYTQ-UHFFFAOYSA-N 2 1 200.326 1.098 20 0 BDADMP COCCCCC[N@H+]1CCC[NH2+]CC1 ZINC000226414495 134365666 /nfs/dbraw/zinc/36/56/66/134365666.db2.gz SUNLWNOGQILYTQ-UHFFFAOYSA-N 2 1 200.326 1.098 20 0 BDADMP CC(C)C[C@@H](CO)[N@@H+](C)CCCn1ccnc1 ZINC000185350522 134376767 /nfs/dbraw/zinc/37/67/67/134376767.db2.gz GHAFBXNEIQLUMA-ZDUSSCGKSA-N 2 1 239.363 1.612 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301001604 383828015 /nfs/dbraw/zinc/82/80/15/383828015.db2.gz VWWAIKKXJCJTEG-VHSXEESVSA-N 2 1 218.291 1.845 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000301001604 383828019 /nfs/dbraw/zinc/82/80/19/383828019.db2.gz VWWAIKKXJCJTEG-VHSXEESVSA-N 2 1 218.291 1.845 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000301010907 383841691 /nfs/dbraw/zinc/84/16/91/383841691.db2.gz XPLAAMRJRCCAAI-GHMZBOCLSA-N 2 1 232.318 1.963 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000087646408 383857626 /nfs/dbraw/zinc/85/76/26/383857626.db2.gz TYDXRZGMZXCJLW-GHMZBOCLSA-N 2 1 208.305 1.930 20 0 BDADMP C[C@H](C[NH2+]Cc1cncnc1)C[NH+]1CCCCC1 ZINC000054768030 383979309 /nfs/dbraw/zinc/97/93/09/383979309.db2.gz KMQGJEILNFVSBM-CYBMUJFWSA-N 2 1 248.374 1.688 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000400233471 383944328 /nfs/dbraw/zinc/94/43/28/383944328.db2.gz SXLRCJADUIIUPS-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H](O)CC ZINC000313156896 383965011 /nfs/dbraw/zinc/96/50/11/383965011.db2.gz ODMCRFVZHKZOTP-OLZOCXBDSA-N 2 1 228.380 1.610 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000032014372 383966876 /nfs/dbraw/zinc/96/68/76/383966876.db2.gz MMOUPJQZIOALJJ-UHFFFAOYSA-N 2 1 222.332 1.484 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC2 ZINC000305130426 384022943 /nfs/dbraw/zinc/02/29/43/384022943.db2.gz MULJAMFQHSTTJJ-HIFRSBDPSA-N 2 1 248.370 1.494 20 0 BDADMP c1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000309573854 384028233 /nfs/dbraw/zinc/02/82/33/384028233.db2.gz NYVDHCHEPVZWLH-PHIMTYICSA-N 2 1 237.372 1.575 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000573120262 384035168 /nfs/dbraw/zinc/03/51/68/384035168.db2.gz KEDDPHOBWOIXRX-CQSZACIVSA-N 3 1 235.375 1.608 20 0 BDADMP Nc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000077019712 384061791 /nfs/dbraw/zinc/06/17/91/384061791.db2.gz QYDDZOPWIJETIH-UHFFFAOYSA-N 2 1 205.305 1.064 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000077019712 384061802 /nfs/dbraw/zinc/06/18/02/384061802.db2.gz QYDDZOPWIJETIH-UHFFFAOYSA-N 2 1 205.305 1.064 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000163174022 384069800 /nfs/dbraw/zinc/06/98/00/384069800.db2.gz UEDQHKLRBLINOO-JSGCOSHPSA-N 2 1 248.370 1.907 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000569471705 384095355 /nfs/dbraw/zinc/09/53/55/384095355.db2.gz KTHWDAYZHLPJQW-NWDGAFQWSA-N 3 1 213.369 1.234 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CO1 ZINC000401849818 384122516 /nfs/dbraw/zinc/12/25/16/384122516.db2.gz CIGPTHVGHQEWMC-XQHKEYJVSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CO1 ZINC000401849818 384122519 /nfs/dbraw/zinc/12/25/19/384122519.db2.gz CIGPTHVGHQEWMC-XQHKEYJVSA-N 2 1 224.348 1.380 20 0 BDADMP Cc1cc(F)ccc1C[N@@H+](C)CCC[NH3+] ZINC000227745028 134392072 /nfs/dbraw/zinc/39/20/72/134392072.db2.gz OYQAVWKGRGUFMC-UHFFFAOYSA-N 2 1 210.296 1.915 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000042471336 384150625 /nfs/dbraw/zinc/15/06/25/384150625.db2.gz OFSQSGKSOVWDHY-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@@H]2CCC[C@H]21 ZINC000560530689 384197017 /nfs/dbraw/zinc/19/70/17/384197017.db2.gz RPSXBZIXFCPJMG-RWMBFGLXSA-N 2 1 234.347 1.372 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@@H]2CCC[C@H]21 ZINC000560530689 384197021 /nfs/dbraw/zinc/19/70/21/384197021.db2.gz RPSXBZIXFCPJMG-RWMBFGLXSA-N 2 1 234.347 1.372 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000173522581 384224634 /nfs/dbraw/zinc/22/46/34/384224634.db2.gz MBXCBZKWMMJKLF-SNVBAGLBSA-N 2 1 200.326 1.047 20 0 BDADMP CCOCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082601498 384246627 /nfs/dbraw/zinc/24/66/27/384246627.db2.gz RAXHYFAWKOJTJI-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000069626527 384247940 /nfs/dbraw/zinc/24/79/40/384247940.db2.gz IVQUQWXEVBJHII-LBPRGKRZSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccn(C)c2)CC[N@@H+]1C ZINC000093644197 384255143 /nfs/dbraw/zinc/25/51/43/384255143.db2.gz CRKBSLYNJBDLCU-TZMCWYRMSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccn(C)c2)CC[N@H+]1C ZINC000093644197 384255144 /nfs/dbraw/zinc/25/51/44/384255144.db2.gz CRKBSLYNJBDLCU-TZMCWYRMSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccn(C)c2)CC[NH+]1C ZINC000093644197 384255146 /nfs/dbraw/zinc/25/51/46/384255146.db2.gz CRKBSLYNJBDLCU-TZMCWYRMSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccn(C)c2)CC[NH+]1C ZINC000093644197 384255147 /nfs/dbraw/zinc/25/51/47/384255147.db2.gz CRKBSLYNJBDLCU-TZMCWYRMSA-N 2 1 235.375 1.940 20 0 BDADMP Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1C ZINC000313354915 384277849 /nfs/dbraw/zinc/27/78/49/384277849.db2.gz MZYYUVSYWHCLFZ-HNNXBMFYSA-N 2 1 248.370 1.853 20 0 BDADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)CC(F)F ZINC000647225574 384307148 /nfs/dbraw/zinc/30/71/48/384307148.db2.gz NIZOETHOKMCGQF-SECBINFHSA-N 2 1 220.307 1.962 20 0 BDADMP COCCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300055650 384283260 /nfs/dbraw/zinc/28/32/60/384283260.db2.gz JJBXPAVMVUYQAU-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CO1 ZINC000401929013 384294713 /nfs/dbraw/zinc/29/47/13/384294713.db2.gz UKEQGLKUWSKKOH-JQWIXIFHSA-N 2 1 210.321 1.015 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2ccns2)C[C@@H]1[NH3+] ZINC000405436432 384331017 /nfs/dbraw/zinc/33/10/17/384331017.db2.gz CGJWCTVXZBPEEF-DTWKUNHWSA-N 2 1 211.334 1.359 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOC)C1 ZINC000174970737 384381441 /nfs/dbraw/zinc/38/14/41/384381441.db2.gz SXXFUOQQODVOKK-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOC)C1 ZINC000174970737 384381445 /nfs/dbraw/zinc/38/14/45/384381445.db2.gz SXXFUOQQODVOKK-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOC)C1 ZINC000174970737 384381448 /nfs/dbraw/zinc/38/14/48/384381448.db2.gz SXXFUOQQODVOKK-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000178702832 384388219 /nfs/dbraw/zinc/38/82/19/384388219.db2.gz NERKBKURFCOPLY-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCOCC1 ZINC000082544843 384432657 /nfs/dbraw/zinc/43/26/57/384432657.db2.gz VGZAXBZNHVMUBS-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1nccn1CCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000568162147 384441601 /nfs/dbraw/zinc/44/16/01/384441601.db2.gz PBRBKWNMMBKRFE-YPMHNXCESA-N 2 1 236.363 1.393 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000335663344 384471784 /nfs/dbraw/zinc/47/17/84/384471784.db2.gz XDDLIAOTOKCDIK-PTEHBNRSSA-N 2 1 208.349 1.859 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224610460 384476917 /nfs/dbraw/zinc/47/69/17/384476917.db2.gz BXUSHVPCXAKQEC-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224610460 384476921 /nfs/dbraw/zinc/47/69/21/384476921.db2.gz BXUSHVPCXAKQEC-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@]1(C[N@@H+]2CCC[C@@H](OC(F)F)C2)CC[NH2+]C1 ZINC000647518411 384501601 /nfs/dbraw/zinc/50/16/01/384501601.db2.gz HKIJKVSMIRHZOV-PWSUYJOCSA-N 2 1 248.317 1.690 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H](OC(F)F)C2)CC[NH2+]C1 ZINC000647518411 384501606 /nfs/dbraw/zinc/50/16/06/384501606.db2.gz HKIJKVSMIRHZOV-PWSUYJOCSA-N 2 1 248.317 1.690 20 0 BDADMP FC(F)O[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000647518633 384507226 /nfs/dbraw/zinc/50/72/26/384507226.db2.gz UPDWVASAMUMPSO-NSHDSACASA-N 2 1 248.317 1.690 20 0 BDADMP C[C@@H]([NH2+]CCC[NH3+])c1cc(F)ccc1F ZINC000037713345 384512039 /nfs/dbraw/zinc/51/20/39/384512039.db2.gz ADMIFZHHTRJCNV-MRVPVSSYSA-N 2 1 214.259 1.964 20 0 BDADMP COC1(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000319853984 384514062 /nfs/dbraw/zinc/51/40/62/384514062.db2.gz LGMOUGNTDUVWLS-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000373060608 384547038 /nfs/dbraw/zinc/54/70/38/384547038.db2.gz XIOBUUURXUBZCM-WTUNAVPPSA-N 2 1 240.391 1.872 20 0 BDADMP Cc1[nH+]ccn1CCn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000305903189 384550990 /nfs/dbraw/zinc/55/09/90/384550990.db2.gz CTXIBVRTYPJVKZ-GFCCVEGCSA-N 2 1 248.334 1.139 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000643056780 384558044 /nfs/dbraw/zinc/55/80/44/384558044.db2.gz DPYFNAONGKKWHL-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1(C)CC1 ZINC000151375667 384569709 /nfs/dbraw/zinc/56/97/09/384569709.db2.gz QLINOMJDPSBVEB-GFCCVEGCSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000040621079 384588538 /nfs/dbraw/zinc/58/85/38/384588538.db2.gz IUXWUWFVEDIZCF-CQSZACIVSA-N 2 1 233.359 1.902 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000040621079 384588546 /nfs/dbraw/zinc/58/85/46/384588546.db2.gz IUXWUWFVEDIZCF-CQSZACIVSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC(O)C1 ZINC000084446298 384621932 /nfs/dbraw/zinc/62/19/32/384621932.db2.gz ABPQBBIGZHMTTR-OVIZCXLRSA-N 2 1 226.364 1.076 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000086638241 384673315 /nfs/dbraw/zinc/67/33/15/384673315.db2.gz KPIMPDLIJWATTK-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP c1ccc2[nH+]c(NC[C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000043220286 384646397 /nfs/dbraw/zinc/64/63/97/384646397.db2.gz LXCASYTXQDGKPP-SNVBAGLBSA-N 2 1 230.315 1.974 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000154638016 384648406 /nfs/dbraw/zinc/64/84/06/384648406.db2.gz UQWSTMVPAXWPOP-AWEZNQCLSA-N 2 1 239.407 1.543 20 0 BDADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309618119 384656278 /nfs/dbraw/zinc/65/62/78/384656278.db2.gz DKAAFKKSGSMBMQ-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000151667097 384686071 /nfs/dbraw/zinc/68/60/71/384686071.db2.gz OGRLEHAZHAIGFI-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309885096 384691439 /nfs/dbraw/zinc/69/14/39/384691439.db2.gz XRFCBWKWMYPXQO-WUHRBBMRSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccs1 ZINC000125904548 384720369 /nfs/dbraw/zinc/72/03/69/384720369.db2.gz JZNRIPKUPJQKQE-NSHDSACASA-N 2 1 228.361 1.150 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000449094432 384721137 /nfs/dbraw/zinc/72/11/37/384721137.db2.gz RXROJPXUDDMRNB-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000647548678 384740025 /nfs/dbraw/zinc/74/00/25/384740025.db2.gz OONKHJBEBNUUBW-MRTXSQPYSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000647551699 384753390 /nfs/dbraw/zinc/75/33/90/384753390.db2.gz DCWBSMDOSNWDRU-PPCPHDFISA-N 2 1 208.349 1.763 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000647552182 384758782 /nfs/dbraw/zinc/75/87/82/384758782.db2.gz KUTVMDKFYZJYQG-NTZNESFSSA-N 2 1 248.374 1.299 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000062053660 384759127 /nfs/dbraw/zinc/75/91/27/384759127.db2.gz WEHRCZWJISNBRA-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000062053660 384759141 /nfs/dbraw/zinc/75/91/41/384759141.db2.gz WEHRCZWJISNBRA-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP C(N[C@@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000647554316 384771969 /nfs/dbraw/zinc/77/19/69/384771969.db2.gz WQOXGIABQMDDOL-CYBMUJFWSA-N 2 1 237.391 1.250 20 0 BDADMP CC[N@H+](C[C@H]1CCCO1)CC(C)(C)[NH3+] ZINC000042471389 384816207 /nfs/dbraw/zinc/81/62/07/384816207.db2.gz DJUDCELLHOOOTO-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)CC(C)(C)[NH3+] ZINC000042471389 384816213 /nfs/dbraw/zinc/81/62/13/384816213.db2.gz DJUDCELLHOOOTO-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP CS[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000518211233 384792767 /nfs/dbraw/zinc/79/27/67/384792767.db2.gz FMQOCFNYEDHTBC-GFCCVEGCSA-N 2 1 239.388 1.790 20 0 BDADMP CS[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000518211233 384792772 /nfs/dbraw/zinc/79/27/72/384792772.db2.gz FMQOCFNYEDHTBC-GFCCVEGCSA-N 2 1 239.388 1.790 20 0 BDADMP C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423329112 384806319 /nfs/dbraw/zinc/80/63/19/384806319.db2.gz ONTCNTMWCFBINT-BPLDGKMQSA-N 2 1 247.386 1.759 20 0 BDADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)sn1 ZINC000404446817 384809031 /nfs/dbraw/zinc/80/90/31/384809031.db2.gz OFCLGNQRDIDUFR-PHIMTYICSA-N 2 1 237.372 1.575 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335271016 384886962 /nfs/dbraw/zinc/88/69/62/384886962.db2.gz XRTFJWUOWHWPAU-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000423403001 384856181 /nfs/dbraw/zinc/85/61/81/384856181.db2.gz WYCCYSCYENSWAM-SRVKXCTJSA-N 2 1 236.363 1.731 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CCC1CCOCC1 ZINC000259039973 384952847 /nfs/dbraw/zinc/95/28/47/384952847.db2.gz PLQZZVWAQCHDBK-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1nc(N[C@H]2CC[NH2+]C2)c(C)c(C)[nH+]1 ZINC000257656666 384922353 /nfs/dbraw/zinc/92/23/53/384922353.db2.gz QNAZRSCGZXDFTI-JTQLQIEISA-N 2 1 206.293 1.176 20 0 BDADMP c1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000309526876 384937764 /nfs/dbraw/zinc/93/77/64/384937764.db2.gz CIAPWXGKRCOIBD-PHIMTYICSA-N 2 1 237.372 1.575 20 0 BDADMP CC1(C)CCC[C@@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000566230467 384967224 /nfs/dbraw/zinc/96/72/24/384967224.db2.gz DCLOVVXVMFLWRF-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP CC1(C)CCC[C@@H](C[N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000566230467 384967230 /nfs/dbraw/zinc/96/72/30/384967230.db2.gz DCLOVVXVMFLWRF-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1ccncc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226447249 385017633 /nfs/dbraw/zinc/01/76/33/385017633.db2.gz GTLLABBTZXUJPH-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1ccncc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226447249 385017637 /nfs/dbraw/zinc/01/76/37/385017637.db2.gz GTLLABBTZXUJPH-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644642875 385048514 /nfs/dbraw/zinc/04/85/14/385048514.db2.gz ZWYBUCYQDASAAK-VHDGCEQUSA-N 2 1 248.370 1.477 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644642875 385048522 /nfs/dbraw/zinc/04/85/22/385048522.db2.gz ZWYBUCYQDASAAK-VHDGCEQUSA-N 2 1 248.370 1.477 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccccn1 ZINC000404765026 385054712 /nfs/dbraw/zinc/05/47/12/385054712.db2.gz FRHZUYBYFKBPJM-DLOVCJGASA-N 2 1 219.332 1.858 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CC[N@H+](C)C1CCCC1 ZINC000310453101 385066434 /nfs/dbraw/zinc/06/64/34/385066434.db2.gz YNDFZQXMPQAFAD-CYBMUJFWSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000310453101 385066444 /nfs/dbraw/zinc/06/64/44/385066444.db2.gz YNDFZQXMPQAFAD-CYBMUJFWSA-N 3 1 241.423 1.968 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404806781 385076420 /nfs/dbraw/zinc/07/64/20/385076420.db2.gz ZGMGBZZBEKUMDN-GHMZBOCLSA-N 2 1 223.320 1.507 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404806784 385077207 /nfs/dbraw/zinc/07/72/07/385077207.db2.gz ZGMGBZZBEKUMDN-QWRGUYRKSA-N 2 1 223.320 1.507 20 0 BDADMP CC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000644669324 385085212 /nfs/dbraw/zinc/08/52/12/385085212.db2.gz YINHOGFKYRJXNZ-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000156327117 385030956 /nfs/dbraw/zinc/03/09/56/385030956.db2.gz QKULVUDYRQDTFB-LOWDOPEQSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000156327117 385030967 /nfs/dbraw/zinc/03/09/67/385030967.db2.gz QKULVUDYRQDTFB-LOWDOPEQSA-N 2 1 226.364 1.362 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310536678 385110575 /nfs/dbraw/zinc/11/05/75/385110575.db2.gz RLFHAYQBMCWSJB-BFHYXJOUSA-N 2 1 240.391 1.718 20 0 BDADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000131423526 385086462 /nfs/dbraw/zinc/08/64/62/385086462.db2.gz OAPNRKWKLKWDAX-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000131423526 385086466 /nfs/dbraw/zinc/08/64/66/385086466.db2.gz OAPNRKWKLKWDAX-UONOGXRCSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000131423526 385086470 /nfs/dbraw/zinc/08/64/70/385086470.db2.gz OAPNRKWKLKWDAX-UONOGXRCSA-N 3 1 241.423 1.648 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@@H+]1C ZINC000340521480 385086318 /nfs/dbraw/zinc/08/63/18/385086318.db2.gz FSDPOVKUYFUQII-WISYIIOYSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@H+]1C ZINC000340521480 385086324 /nfs/dbraw/zinc/08/63/24/385086324.db2.gz FSDPOVKUYFUQII-WISYIIOYSA-N 2 1 214.328 1.949 20 0 BDADMP CN(C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527196 385104186 /nfs/dbraw/zinc/10/41/86/385104186.db2.gz XHWUOUHPZZIDLL-MBNYWOFBSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527196 385104194 /nfs/dbraw/zinc/10/41/94/385104194.db2.gz XHWUOUHPZZIDLL-MBNYWOFBSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527196 385104198 /nfs/dbraw/zinc/10/41/98/385104198.db2.gz XHWUOUHPZZIDLL-MBNYWOFBSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527196 385104205 /nfs/dbraw/zinc/10/42/05/385104205.db2.gz XHWUOUHPZZIDLL-MBNYWOFBSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1)C1CC1 ZINC000310527196 385104209 /nfs/dbraw/zinc/10/42/09/385104209.db2.gz XHWUOUHPZZIDLL-MBNYWOFBSA-N 2 1 238.375 1.173 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1COCC1(C)C ZINC000313006202 385105954 /nfs/dbraw/zinc/10/59/54/385105954.db2.gz QKMCYNOFIXVKIU-NSHDSACASA-N 2 1 223.320 1.206 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163493733 385201503 /nfs/dbraw/zinc/20/15/03/385201503.db2.gz ZLEKLXWBQOGAES-ZYHUDNBSSA-N 2 1 236.363 1.145 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(OC(C)C)C2)C1 ZINC000189521017 385161388 /nfs/dbraw/zinc/16/13/88/385161388.db2.gz YCTFBGXABFTWKW-HSBZDZAISA-N 2 1 240.391 1.874 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000037621327 385230448 /nfs/dbraw/zinc/23/04/48/385230448.db2.gz OJJHAFAFIFAIBO-DGCLKSJQSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000045107892 385246451 /nfs/dbraw/zinc/24/64/51/385246451.db2.gz DDDFNYSWDSWCIQ-GFCCVEGCSA-N 2 1 214.353 1.330 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000036866960 385305476 /nfs/dbraw/zinc/30/54/76/385305476.db2.gz WGZDRVVRNSVCON-SNVBAGLBSA-N 2 1 210.346 1.919 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCCF)C[C@H]12 ZINC000308961728 385314264 /nfs/dbraw/zinc/31/42/64/385314264.db2.gz GMLLFCKMFCJRQX-GRYCIOLGSA-N 2 1 214.328 1.795 20 0 BDADMP C([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCSC1 ZINC000300231833 385290625 /nfs/dbraw/zinc/29/06/25/385290625.db2.gz JBZZXYQOZYHBCX-NWDGAFQWSA-N 2 1 240.416 1.813 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000011888564 385298105 /nfs/dbraw/zinc/29/81/05/385298105.db2.gz CIPSMLMJDCGPGJ-CYBMUJFWSA-N 2 1 234.343 1.736 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000335359391 385348449 /nfs/dbraw/zinc/34/84/49/385348449.db2.gz PXTRGXKFKDGMAB-LBPRGKRZSA-N 2 1 224.348 1.405 20 0 BDADMP CC[NH+](CC)CCCN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644735033 385351192 /nfs/dbraw/zinc/35/11/92/385351192.db2.gz QLSJSCSRPQSZQF-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000165169732 385358120 /nfs/dbraw/zinc/35/81/20/385358120.db2.gz ICZJRZDZSFWYFR-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644736174 385366708 /nfs/dbraw/zinc/36/67/08/385366708.db2.gz HQXNIVBQIYDOBU-MJBXVCDLSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2[C@@H](CCN2CC[C@H]2CCC[N@@H+]2C)C1 ZINC000644736174 385366712 /nfs/dbraw/zinc/36/67/12/385366712.db2.gz HQXNIVBQIYDOBU-MJBXVCDLSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2[C@@H](CCN2CC[C@H]2CCC[N@H+]2C)C1 ZINC000644736174 385366717 /nfs/dbraw/zinc/36/67/17/385366717.db2.gz HQXNIVBQIYDOBU-MJBXVCDLSA-N 2 1 237.391 1.107 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cncc(C)c2)CC[C@H]1[NH3+] ZINC000299932143 385327670 /nfs/dbraw/zinc/32/76/70/385327670.db2.gz TXLOLRRGNSJJPR-ZIAGYGMSSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cncc(C)c2)CC[C@H]1[NH3+] ZINC000299932143 385327674 /nfs/dbraw/zinc/32/76/74/385327674.db2.gz TXLOLRRGNSJJPR-ZIAGYGMSSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000168926739 385392989 /nfs/dbraw/zinc/39/29/89/385392989.db2.gz AHXFKWWMJVOWQP-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000168988180 385399719 /nfs/dbraw/zinc/39/97/19/385399719.db2.gz HJFBMSZDFDPSOG-MGPQQGTHSA-N 2 1 248.374 1.488 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000168988180 385399722 /nfs/dbraw/zinc/39/97/22/385399722.db2.gz HJFBMSZDFDPSOG-MGPQQGTHSA-N 2 1 248.374 1.488 20 0 BDADMP CCCCC[N@@H+](CCO)CC(C)(C)[NH3+] ZINC000309092282 385414008 /nfs/dbraw/zinc/41/40/08/385414008.db2.gz BOEKLMRBCLZZGJ-UHFFFAOYSA-N 2 1 202.342 1.208 20 0 BDADMP C[C@]1(C[NH+]2CCSCC2)CC[NH2+]C1 ZINC000062911003 385438982 /nfs/dbraw/zinc/43/89/82/385438982.db2.gz WUBCEVOYOGRSGM-JTQLQIEISA-N 2 1 200.351 1.035 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000194950117 385452707 /nfs/dbraw/zinc/45/27/07/385452707.db2.gz ZUHIRCTYPOUTSQ-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP Cn1cccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179638460 385479374 /nfs/dbraw/zinc/47/93/74/385479374.db2.gz AGZIICSJZHOWLW-GFCCVEGCSA-N 2 1 221.348 1.409 20 0 BDADMP Cn1cccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179638460 385479376 /nfs/dbraw/zinc/47/93/76/385479376.db2.gz AGZIICSJZHOWLW-GFCCVEGCSA-N 2 1 221.348 1.409 20 0 BDADMP CC[C@@H](NCC[N@@H+](C)CC)c1nccn1C ZINC000182634064 385460842 /nfs/dbraw/zinc/46/08/42/385460842.db2.gz WAQQNLUCUQEANF-LLVKDONJSA-N 2 1 224.352 1.413 20 0 BDADMP CC[C@@H]([NH2+]CCN(C)CC)c1nccn1C ZINC000182634064 385460844 /nfs/dbraw/zinc/46/08/44/385460844.db2.gz WAQQNLUCUQEANF-LLVKDONJSA-N 2 1 224.352 1.413 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC1(OC)CCCC1 ZINC000319013169 385538923 /nfs/dbraw/zinc/53/89/23/385538923.db2.gz GJRLVBNFZSOWHL-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP COC1(C[N@@H+](C)CCC[NH3+])CCCC1 ZINC000319016112 385539577 /nfs/dbraw/zinc/53/95/77/385539577.db2.gz HCNJUAHWMUJUAK-UHFFFAOYSA-N 2 1 200.326 1.226 20 0 BDADMP COC1(C[N@H+]2CC[C@](C)(C[NH3+])C2)CCCC1 ZINC000319104838 385543139 /nfs/dbraw/zinc/54/31/39/385543139.db2.gz XVISJZRHYVAPSP-GFCCVEGCSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]C[C@H]1CN(c2cc[nH+]c3ccsc32)CCO1 ZINC000643027032 385528602 /nfs/dbraw/zinc/52/86/02/385528602.db2.gz PYOGGNWBJYFZHJ-VIFPVBQESA-N 2 1 249.339 1.460 20 0 BDADMP CCCn1cc(C[NH2+]C[C@H](C)C[NH2+]C)cn1 ZINC000414848345 385603853 /nfs/dbraw/zinc/60/38/53/385603853.db2.gz WSQOXPYMJQMCSB-LLVKDONJSA-N 2 1 224.352 1.238 20 0 BDADMP CCCn1cc(C[NH2+]C[C@@H](C)C[NH2+]C)cn1 ZINC000414848348 385605180 /nfs/dbraw/zinc/60/51/80/385605180.db2.gz WSQOXPYMJQMCSB-NSHDSACASA-N 2 1 224.352 1.238 20 0 BDADMP Cc1oncc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000128937811 385634186 /nfs/dbraw/zinc/63/41/86/385634186.db2.gz MFJSLMSKJXQHPJ-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000128937811 385634192 /nfs/dbraw/zinc/63/41/92/385634192.db2.gz MFJSLMSKJXQHPJ-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000128937811 385634198 /nfs/dbraw/zinc/63/41/98/385634198.db2.gz MFJSLMSKJXQHPJ-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000128937811 385634205 /nfs/dbraw/zinc/63/42/05/385634205.db2.gz MFJSLMSKJXQHPJ-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP CC[N@H+](CCN[C@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000309493212 385613729 /nfs/dbraw/zinc/61/37/29/385613729.db2.gz XSHOKEULVPPQDY-YPMHNXCESA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH+](C)C[C@H]1C)C1CC1 ZINC000309493212 385613732 /nfs/dbraw/zinc/61/37/32/385613732.db2.gz XSHOKEULVPPQDY-YPMHNXCESA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC000309493212 385613738 /nfs/dbraw/zinc/61/37/38/385613738.db2.gz XSHOKEULVPPQDY-YPMHNXCESA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC000309493212 385613744 /nfs/dbraw/zinc/61/37/44/385613744.db2.gz XSHOKEULVPPQDY-YPMHNXCESA-N 2 1 225.380 1.010 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000309515616 385654753 /nfs/dbraw/zinc/65/47/53/385654753.db2.gz RHYYVECOYAILHN-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309536117 385676271 /nfs/dbraw/zinc/67/62/71/385676271.db2.gz FISJNXMSVXABBT-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309536117 385676274 /nfs/dbraw/zinc/67/62/74/385676274.db2.gz FISJNXMSVXABBT-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCOC1)C1CCCCC1 ZINC000414853178 385686882 /nfs/dbraw/zinc/68/68/82/385686882.db2.gz SAQOSVJHEFYHNX-TZMCWYRMSA-N 2 1 240.391 1.910 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC[NH+](C)C)[C@@H](C)C1 ZINC000221705874 385689913 /nfs/dbraw/zinc/68/99/13/385689913.db2.gz WHINNSFCBLSKAR-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+](C)C)[C@@H](C)C1 ZINC000221705874 385689919 /nfs/dbraw/zinc/68/99/19/385689919.db2.gz WHINNSFCBLSKAR-QWHCGFSZSA-N 3 1 227.396 1.258 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+](C)C)[C@@H](C)C1 ZINC000221705874 385689926 /nfs/dbraw/zinc/68/99/26/385689926.db2.gz WHINNSFCBLSKAR-QWHCGFSZSA-N 3 1 227.396 1.258 20 0 BDADMP FCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336686236 385702763 /nfs/dbraw/zinc/70/27/63/385702763.db2.gz KXXXNDYQNSPTAP-LBPRGKRZSA-N 2 1 214.328 1.812 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC[C@@H]1CCOC1 ZINC000336739841 385786059 /nfs/dbraw/zinc/78/60/59/385786059.db2.gz POSMSFPXVFUGDC-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC[C@@H]1CCOC1 ZINC000336739841 385786064 /nfs/dbraw/zinc/78/60/64/385786064.db2.gz POSMSFPXVFUGDC-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CCC2)C1)C1CC1 ZINC000336705743 385786560 /nfs/dbraw/zinc/78/65/60/385786560.db2.gz LFNOZICKINWQFS-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CCC2)C1)C1CC1 ZINC000336705743 385786562 /nfs/dbraw/zinc/78/65/62/385786562.db2.gz LFNOZICKINWQFS-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC2(CCC2)C1)C1CC1 ZINC000336705743 385786568 /nfs/dbraw/zinc/78/65/68/385786568.db2.gz LFNOZICKINWQFS-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC2(CCC2)C1)C1CC1 ZINC000336705743 385786572 /nfs/dbraw/zinc/78/65/72/385786572.db2.gz LFNOZICKINWQFS-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@@H](CO)[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000282796432 385786669 /nfs/dbraw/zinc/78/66/69/385786669.db2.gz OAYVFWDHNZHBIA-NSHDSACASA-N 2 1 246.314 1.080 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000309628606 385756431 /nfs/dbraw/zinc/75/64/31/385756431.db2.gz HELKCSNNIMSIPE-AGIUHOORSA-N 2 1 226.364 1.077 20 0 BDADMP CO[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000270638161 385724373 /nfs/dbraw/zinc/72/43/73/385724373.db2.gz MPOGQHCRDHVKIU-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP CO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000270638161 385724376 /nfs/dbraw/zinc/72/43/76/385724376.db2.gz MPOGQHCRDHVKIU-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP CC[N@H+](CCCO)CCCn1cc[nH+]c1C ZINC000270649901 385726540 /nfs/dbraw/zinc/72/65/40/385726540.db2.gz OMVZORYMUFXEEA-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP CC[N@@H+](CCCO)CCCn1cc[nH+]c1C ZINC000270649901 385726546 /nfs/dbraw/zinc/72/65/46/385726546.db2.gz OMVZORYMUFXEEA-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)CC(F)F ZINC000647800741 385809362 /nfs/dbraw/zinc/80/93/62/385809362.db2.gz JPWNTNOZTSXNJS-GUBZILKMSA-N 2 1 220.307 1.865 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)CC(F)F ZINC000647800739 385810149 /nfs/dbraw/zinc/81/01/49/385810149.db2.gz JPWNTNOZTSXNJS-AEJSXWLSSA-N 2 1 220.307 1.865 20 0 BDADMP Cc1cnc(CN[C@@H](C)C[N@@H+](C)C(C)C)n1C ZINC000353150144 385812568 /nfs/dbraw/zinc/81/25/68/385812568.db2.gz IPUNSGDHBFFZNU-NSHDSACASA-N 2 1 238.379 1.547 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000186946701 385816392 /nfs/dbraw/zinc/81/63/92/385816392.db2.gz FOOXSFOPTQIELE-JHJVBQTASA-N 2 1 224.348 1.238 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000336716664 385818206 /nfs/dbraw/zinc/81/82/06/385818206.db2.gz XLCNSDRFGMZOEO-GHMZBOCLSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCSCC1 ZINC000336725065 385828779 /nfs/dbraw/zinc/82/87/79/385828779.db2.gz BIXZXYNAFSWJQV-PWSUYJOCSA-N 2 1 246.420 1.030 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000647802615 385836268 /nfs/dbraw/zinc/83/62/68/385836268.db2.gz PVVNTJLEXPJOPL-OLZOCXBDSA-N 3 1 219.332 1.115 20 0 BDADMP CCOC(=O)CC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603430765 385854076 /nfs/dbraw/zinc/85/40/76/385854076.db2.gz CMEPOKSSAUDWII-WOPDTQHZSA-N 2 1 242.363 1.387 20 0 BDADMP CCOC(=O)CC[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603430765 385854081 /nfs/dbraw/zinc/85/40/81/385854081.db2.gz CMEPOKSSAUDWII-WOPDTQHZSA-N 2 1 242.363 1.387 20 0 BDADMP Cc1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)nc(C)[nH+]1 ZINC000647843709 385893440 /nfs/dbraw/zinc/89/34/40/385893440.db2.gz BTABJIHHFYUQEQ-CMPLNLGQSA-N 2 1 234.347 1.622 20 0 BDADMP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CO2 ZINC000335032439 385921283 /nfs/dbraw/zinc/92/12/83/385921283.db2.gz KQEKUYAJLMYTFA-UONOGXRCSA-N 2 1 246.354 1.722 20 0 BDADMP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CO2 ZINC000335032440 385921867 /nfs/dbraw/zinc/92/18/67/385921867.db2.gz KQEKUYAJLMYTFA-ZIAGYGMSSA-N 2 1 246.354 1.722 20 0 BDADMP CC1(O)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000189083644 385924589 /nfs/dbraw/zinc/92/45/89/385924589.db2.gz LRUNTAXUCLOUHT-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414878008 385927832 /nfs/dbraw/zinc/92/78/32/385927832.db2.gz YVEHNUSSLFLYGA-YNEHKIRRSA-N 2 1 238.375 1.533 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCO[C@H]1C ZINC000308798197 385865654 /nfs/dbraw/zinc/86/56/54/385865654.db2.gz CYSKOAKLPLHOCD-TUAOUCFPSA-N 2 1 214.353 1.374 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000121991440 385874990 /nfs/dbraw/zinc/87/49/90/385874990.db2.gz WUEHZNAPFPALLV-CMPLNLGQSA-N 2 1 207.321 1.970 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H](CO)CC2CCCC2)CC1 ZINC000338007600 385878867 /nfs/dbraw/zinc/87/88/67/385878867.db2.gz ODMUPRMSOPGYDU-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)C(C)C ZINC000338009385 385879763 /nfs/dbraw/zinc/87/97/63/385879763.db2.gz CJUNGTYWHHGPIV-ZDUSSCGKSA-N 2 1 239.363 1.842 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000338363943 385986542 /nfs/dbraw/zinc/98/65/42/385986542.db2.gz KVLKUJUZOMRNHH-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000338363943 385986547 /nfs/dbraw/zinc/98/65/47/385986547.db2.gz KVLKUJUZOMRNHH-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414972614 385986850 /nfs/dbraw/zinc/98/68/50/385986850.db2.gz AZEFHBQGWQYDRF-CYBMUJFWSA-N 2 1 244.342 1.699 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OC)c1 ZINC000414972643 385988994 /nfs/dbraw/zinc/98/89/94/385988994.db2.gz BDIYDTBXFSGUML-LLVKDONJSA-N 2 1 208.305 1.522 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414878566 385934679 /nfs/dbraw/zinc/93/46/79/385934679.db2.gz ZYENGEABNQMRKW-NFMDPKQHSA-N 3 1 237.391 1.234 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414973510 385993059 /nfs/dbraw/zinc/99/30/59/385993059.db2.gz ZTQLZTJKFKWQIM-STQMWFEESA-N 2 1 227.396 1.482 20 0 BDADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000335047017 385942343 /nfs/dbraw/zinc/94/23/43/385942343.db2.gz SITYDUFPUONDKE-WXRRBKDZSA-N 2 1 240.391 1.658 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000338281966 385948450 /nfs/dbraw/zinc/94/84/50/385948450.db2.gz NWXWLUBBDCGSDJ-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](COC)C1 ZINC000338302112 385951318 /nfs/dbraw/zinc/95/13/18/385951318.db2.gz ALKBZYRERHPUBU-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000251475712 385955794 /nfs/dbraw/zinc/95/57/94/385955794.db2.gz FDYCDIQGHIIYFD-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924820 385958714 /nfs/dbraw/zinc/95/87/14/385958714.db2.gz NDHGIVQRKDLSDF-LLVKDONJSA-N 2 1 241.379 1.055 20 0 BDADMP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C1 ZINC000414880169 385960600 /nfs/dbraw/zinc/96/06/00/385960600.db2.gz JRCJUDLIBVHHEI-SFYZADRCSA-N 2 1 210.243 1.669 20 0 BDADMP Cc1cn[nH]c1CNCCC[N@H+](C)C(C)C ZINC000289896477 385963517 /nfs/dbraw/zinc/96/35/17/385963517.db2.gz NCNVOFNUHPAXSB-UHFFFAOYSA-N 2 1 224.352 1.538 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012190 385968472 /nfs/dbraw/zinc/96/84/72/385968472.db2.gz WYJPZTDUSNHNNM-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000335012190 385968477 /nfs/dbraw/zinc/96/84/77/385968477.db2.gz WYJPZTDUSNHNNM-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925601 385972941 /nfs/dbraw/zinc/97/29/41/385972941.db2.gz PPADGNDPXYUTGS-LLVKDONJSA-N 2 1 241.379 1.057 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(COC)c1 ZINC000414973173 385999078 /nfs/dbraw/zinc/99/90/78/385999078.db2.gz BWJVXKKTKHAYFB-CYBMUJFWSA-N 2 1 222.332 1.660 20 0 BDADMP C1CC2(C1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCO[C@@H]12 ZINC000414881761 386000149 /nfs/dbraw/zinc/00/01/49/386000149.db2.gz AUYOGBHKKWYXRT-RVMXOQNASA-N 2 1 236.359 1.286 20 0 BDADMP COC1(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000309504241 386011857 /nfs/dbraw/zinc/01/18/57/386011857.db2.gz MOAJWTLPQBCLRA-RYUDHWBXSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000187999302 386013837 /nfs/dbraw/zinc/01/38/37/386013837.db2.gz DXELBUAGDJOCIW-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000345160815 386022169 /nfs/dbraw/zinc/02/21/69/386022169.db2.gz QDUPLACHYUQKOW-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCCC1CC[NH2+]CC1)C1CC1 ZINC000647868548 386030889 /nfs/dbraw/zinc/03/08/89/386030889.db2.gz ROIDYVGDFUKIAL-CQSZACIVSA-N 3 1 239.407 1.483 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414196641 386035513 /nfs/dbraw/zinc/03/55/13/386035513.db2.gz BCNHORNTYRARDW-LOWDOPEQSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414196641 386035516 /nfs/dbraw/zinc/03/55/16/386035516.db2.gz BCNHORNTYRARDW-LOWDOPEQSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(F)cc1C ZINC000414986641 386113123 /nfs/dbraw/zinc/11/31/23/386113123.db2.gz XYTLROPMJNSUAL-GFCCVEGCSA-N 2 1 210.296 1.961 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)OCCO3)CCC1 ZINC000414885656 386064796 /nfs/dbraw/zinc/06/47/96/386064796.db2.gz PBKSMDSRDRFECW-UHFFFAOYSA-N 2 1 248.326 1.429 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000336728281 386066686 /nfs/dbraw/zinc/06/66/86/386066686.db2.gz WUAWFOSDSGDHFD-GFCCVEGCSA-N 2 1 241.423 1.966 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414651752 386071952 /nfs/dbraw/zinc/07/19/52/386071952.db2.gz GDBKRLJNFOJCQL-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2CN)CC[NH2+]1 ZINC000414652792 386074584 /nfs/dbraw/zinc/07/45/84/386074584.db2.gz HJAXMIIVHYEHSB-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H](CN2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000414652792 386074586 /nfs/dbraw/zinc/07/45/86/386074586.db2.gz HJAXMIIVHYEHSB-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414655681 386082057 /nfs/dbraw/zinc/08/20/57/386082057.db2.gz DVAMRBDXQPUUGA-LPWJVIDDSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)[C@H](C)O1 ZINC000414282465 386094128 /nfs/dbraw/zinc/09/41/28/386094128.db2.gz NXBJNCIQQDFOKC-MEBFFEOJSA-N 2 1 240.391 1.730 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414985700 386099352 /nfs/dbraw/zinc/09/93/52/386099352.db2.gz WRCXULXUFXTMJM-NSHDSACASA-N 2 1 232.331 1.400 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000425482436 386151795 /nfs/dbraw/zinc/15/17/95/386151795.db2.gz QSJVNYVQWBFNBO-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000157419165 386174120 /nfs/dbraw/zinc/17/41/20/386174120.db2.gz RJGOLABGOZFYFB-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000157419165 386174128 /nfs/dbraw/zinc/17/41/28/386174128.db2.gz RJGOLABGOZFYFB-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@H](COC)[NH2+]CCCCn1cc[nH+]c1C ZINC000164698047 386181795 /nfs/dbraw/zinc/18/17/95/386181795.db2.gz UGWYBEVBEKKYRY-CYBMUJFWSA-N 2 1 239.363 1.986 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000414692228 386181845 /nfs/dbraw/zinc/18/18/45/386181845.db2.gz KLDMQOQYBSFLEH-TZMCWYRMSA-N 2 1 239.407 1.528 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414692612 386183607 /nfs/dbraw/zinc/18/36/07/386183607.db2.gz CUVDJJIYGQDXOP-RFGFWPKPSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[N@H+]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414667995 386127695 /nfs/dbraw/zinc/12/76/95/386127695.db2.gz IDVWQTQNOGMDPB-UHFFFAOYSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000414891272 386138409 /nfs/dbraw/zinc/13/84/09/386138409.db2.gz WJZQTYZDLVIETL-TZMCWYRMSA-N 2 1 218.344 1.817 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346086184 386141891 /nfs/dbraw/zinc/14/18/91/386141891.db2.gz IFMYMCVVWLVKAR-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346086184 386141895 /nfs/dbraw/zinc/14/18/95/386141895.db2.gz IFMYMCVVWLVKAR-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000414699419 386204832 /nfs/dbraw/zinc/20/48/32/386204832.db2.gz YOGDCOJRSNNUPN-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC000414702672 386210804 /nfs/dbraw/zinc/21/08/04/386210804.db2.gz JASBLHQZABFZLO-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH3+])[C@@H](CC)CN1C(C)=O ZINC000414707398 386217323 /nfs/dbraw/zinc/21/73/23/386217323.db2.gz NVNFPOUJYWWHCI-QWHCGFSZSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCC[NH3+] ZINC000414707660 386219062 /nfs/dbraw/zinc/21/90/62/386219062.db2.gz MZECKIKSLLHUOZ-SMDDNHRTSA-N 2 1 234.343 1.659 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C)(CO)CC1 ZINC000414709520 386221767 /nfs/dbraw/zinc/22/17/67/386221767.db2.gz KDXVKMWBDCJUPT-GFCCVEGCSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C)(CO)CC1 ZINC000414709523 386222034 /nfs/dbraw/zinc/22/20/34/386222034.db2.gz KDXVKMWBDCJUPT-LBPRGKRZSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347031674 386224217 /nfs/dbraw/zinc/22/42/17/386224217.db2.gz AIGUWFGFAXGZFF-SNVBAGLBSA-N 2 1 236.363 1.488 20 0 BDADMP COc1ccsc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347037083 386225323 /nfs/dbraw/zinc/22/53/23/386225323.db2.gz FQXATCMJNNBHRI-JTQLQIEISA-N 2 1 240.372 1.927 20 0 BDADMP COc1ccsc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347037083 386225326 /nfs/dbraw/zinc/22/53/26/386225326.db2.gz FQXATCMJNNBHRI-JTQLQIEISA-N 2 1 240.372 1.927 20 0 BDADMP CC[N@@H+](CCC[NH3+])CCc1cccs1 ZINC000414711548 386228377 /nfs/dbraw/zinc/22/83/77/386228377.db2.gz UGEIQXSCEWBSGB-UHFFFAOYSA-N 2 1 212.362 1.961 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000090319978 386238561 /nfs/dbraw/zinc/23/85/61/386238561.db2.gz UMFINEDHLVMPMB-GASCZTMLSA-N 2 1 230.355 1.955 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647884071 386252047 /nfs/dbraw/zinc/25/20/47/386252047.db2.gz CUZABZIFKNEQHA-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](C)O)C1 ZINC000336645525 386252745 /nfs/dbraw/zinc/25/27/45/386252745.db2.gz IBWQEJSMLWCNPN-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336645525 386252750 /nfs/dbraw/zinc/25/27/50/386252750.db2.gz IBWQEJSMLWCNPN-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336645525 386252754 /nfs/dbraw/zinc/25/27/54/386252754.db2.gz IBWQEJSMLWCNPN-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP Cc1ccncc1CCC[N@H+]1CCC[C@H]1CO ZINC000275212188 386194670 /nfs/dbraw/zinc/19/46/70/386194670.db2.gz IEFYEVYRLGJLPL-AWEZNQCLSA-N 2 1 234.343 1.779 20 0 BDADMP [NH3+]CCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000414695660 386196042 /nfs/dbraw/zinc/19/60/42/386196042.db2.gz PJWJGXWJVWBAIU-UHFFFAOYSA-N 2 1 234.343 1.953 20 0 BDADMP CC[N@@H+](CCc1cncn1C)CC(C)C ZINC000297871604 386285061 /nfs/dbraw/zinc/28/50/61/386285061.db2.gz PWPMUKLWZIURCY-UHFFFAOYSA-N 2 1 209.337 1.941 20 0 BDADMP C[C@H](O)CCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336672507 386304394 /nfs/dbraw/zinc/30/43/94/386304394.db2.gz SXHKFIRSXPGUPP-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](O)CCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336672507 386304397 /nfs/dbraw/zinc/30/43/97/386304397.db2.gz SXHKFIRSXPGUPP-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](O)CCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336672507 386304399 /nfs/dbraw/zinc/30/43/99/386304399.db2.gz SXHKFIRSXPGUPP-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC[NH2+]1 ZINC000414738362 386316319 /nfs/dbraw/zinc/31/63/19/386316319.db2.gz JEPSASZRNGYPIY-DGTMBMJNSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000414738368 386317120 /nfs/dbraw/zinc/31/71/20/386317120.db2.gz JEPSASZRNGYPIY-RGDJUOJXSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](O)[C@H](C)C2)CC[NH2+]1 ZINC000414738453 386319131 /nfs/dbraw/zinc/31/91/31/386319131.db2.gz JJBZKTGXQMDYHH-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2NCC3)CC[NH2+]1 ZINC000335261596 386320124 /nfs/dbraw/zinc/32/01/24/386320124.db2.gz ONCPSNVRNDMIEB-BXUZGUMPSA-N 2 1 245.370 1.885 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336679530 386321149 /nfs/dbraw/zinc/32/11/49/386321149.db2.gz PMUHZQUHPHPPQP-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP Cn1cncc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000265258234 386321264 /nfs/dbraw/zinc/32/12/64/386321264.db2.gz QHMARXLNVJCMSM-CYBMUJFWSA-N 2 1 249.289 1.382 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)CC[NH2+]1 ZINC000414740952 386321696 /nfs/dbraw/zinc/32/16/96/386321696.db2.gz LYJQWQGZZFUPOG-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP CO[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336652977 386268351 /nfs/dbraw/zinc/26/83/51/386268351.db2.gz XKFGWSVHHYRIFF-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336652977 386268352 /nfs/dbraw/zinc/26/83/52/386268352.db2.gz XKFGWSVHHYRIFF-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336652977 386268354 /nfs/dbraw/zinc/26/83/54/386268354.db2.gz XKFGWSVHHYRIFF-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP CC[C@@H](C)[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000336658435 386274216 /nfs/dbraw/zinc/27/42/16/386274216.db2.gz MTLSJBGQQAEFGF-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336658435 386274218 /nfs/dbraw/zinc/27/42/18/386274218.db2.gz MTLSJBGQQAEFGF-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000336658435 386274219 /nfs/dbraw/zinc/27/42/19/386274219.db2.gz MTLSJBGQQAEFGF-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000647885744 386279725 /nfs/dbraw/zinc/27/97/25/386279725.db2.gz LHKCCFVVDNMCKJ-HIFRSBDPSA-N 2 1 248.370 1.651 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000647888189 386342441 /nfs/dbraw/zinc/34/24/41/386342441.db2.gz YBGXHYDCAGNJES-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP CO[C@H](C)C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336686536 386348940 /nfs/dbraw/zinc/34/89/40/386348940.db2.gz DYJVBXUPHJZLMS-GFCCVEGCSA-N 2 1 239.363 1.938 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336686536 386348946 /nfs/dbraw/zinc/34/89/46/386348946.db2.gz DYJVBXUPHJZLMS-GFCCVEGCSA-N 2 1 239.363 1.938 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414748371 386352384 /nfs/dbraw/zinc/35/23/84/386352384.db2.gz WMSZJUAFTFGPQP-STQMWFEESA-N 2 1 228.380 1.597 20 0 BDADMP CC[N@@H+](CCc1nccs1)C[C@H]1CC[NH2+]C1 ZINC000647989652 386362002 /nfs/dbraw/zinc/36/20/02/386362002.db2.gz SCMSUEIVGSGZAQ-NSHDSACASA-N 2 1 239.388 1.617 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000414750898 386376746 /nfs/dbraw/zinc/37/67/46/386376746.db2.gz ZDDNRPZPXHNTBR-RFQIPJPRSA-N 2 1 242.407 1.841 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000336698616 386384458 /nfs/dbraw/zinc/38/44/58/386384458.db2.gz WVSBZASHWCNEOI-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000336698616 386384462 /nfs/dbraw/zinc/38/44/62/386384462.db2.gz WVSBZASHWCNEOI-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000336698616 386384467 /nfs/dbraw/zinc/38/44/67/386384467.db2.gz WVSBZASHWCNEOI-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000336773912 386331095 /nfs/dbraw/zinc/33/10/95/386331095.db2.gz WLENNONAIDLJRE-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414910353 386437303 /nfs/dbraw/zinc/43/73/03/386437303.db2.gz CLJLGUDFTAHKQK-REWJHTLYSA-N 2 1 240.391 1.779 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCOC2)C1 ZINC000336717889 386438859 /nfs/dbraw/zinc/43/88/59/386438859.db2.gz WOIBNVKBOIJSGD-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336717889 386438863 /nfs/dbraw/zinc/43/88/63/386438863.db2.gz WOIBNVKBOIJSGD-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336717889 386438867 /nfs/dbraw/zinc/43/88/67/386438867.db2.gz WOIBNVKBOIJSGD-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C2CC([NH3+])C2)CCO1 ZINC000414768082 386443052 /nfs/dbraw/zinc/44/30/52/386443052.db2.gz HEWVPTLLSVDGHJ-YWPUVAFDSA-N 2 1 226.364 1.613 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCOC1 ZINC000336716633 386447582 /nfs/dbraw/zinc/44/75/82/386447582.db2.gz VYFDCXGJIUMARD-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000647891611 386392735 /nfs/dbraw/zinc/39/27/35/386392735.db2.gz WYUWNEWKXQYPRZ-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000647891611 386392741 /nfs/dbraw/zinc/39/27/41/386392741.db2.gz WYUWNEWKXQYPRZ-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1ccno1)CC[NH2+]CC2 ZINC000335280020 386394513 /nfs/dbraw/zinc/39/45/13/386394513.db2.gz QMCJSWMWEUOHQG-NSHDSACASA-N 2 1 235.331 1.639 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414909724 386416678 /nfs/dbraw/zinc/41/66/78/386416678.db2.gz CFXRFLQTAJEATB-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000442664436 386416821 /nfs/dbraw/zinc/41/68/21/386416821.db2.gz WILWGRZRCPHTCA-STQMWFEESA-N 2 1 248.374 1.107 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCCO1 ZINC000336709002 386419356 /nfs/dbraw/zinc/41/93/56/386419356.db2.gz PJYIVTJGFWDFNH-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCCO1 ZINC000336709002 386419360 /nfs/dbraw/zinc/41/93/60/386419360.db2.gz PJYIVTJGFWDFNH-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCCCO1 ZINC000336709002 386419365 /nfs/dbraw/zinc/41/93/65/386419365.db2.gz PJYIVTJGFWDFNH-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CCCCO1 ZINC000336709002 386419371 /nfs/dbraw/zinc/41/93/71/386419371.db2.gz PJYIVTJGFWDFNH-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cnn(CC2CC[NH+](C[C@@H](C)[NH3+])CC2)c1 ZINC000442664663 386419828 /nfs/dbraw/zinc/41/98/28/386419828.db2.gz XATLWTUWXGYYGN-GFCCVEGCSA-N 2 1 236.363 1.251 20 0 BDADMP CC[C@H]1C[C@@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000399160963 386428765 /nfs/dbraw/zinc/42/87/65/386428765.db2.gz KTZIUJBFMMYFIE-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000414765978 386433939 /nfs/dbraw/zinc/43/39/39/386433939.db2.gz GYOHNRHRPFXNSI-LOWDOPEQSA-N 2 1 226.364 1.613 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000399275589 386475136 /nfs/dbraw/zinc/47/51/36/386475136.db2.gz CWJJKXAHKAURTG-ZDUSSCGKSA-N 2 1 225.380 1.014 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC000414775853 386477194 /nfs/dbraw/zinc/47/71/94/386477194.db2.gz WDSSGBXRWUARHV-AAVRWANBSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC000414775853 386477199 /nfs/dbraw/zinc/47/71/99/386477199.db2.gz WDSSGBXRWUARHV-AAVRWANBSA-N 3 1 237.391 1.058 20 0 BDADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000417311125 386481319 /nfs/dbraw/zinc/48/13/19/386481319.db2.gz LIOJOSIWKPFDPI-AVGNSLFASA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647935089 386487662 /nfs/dbraw/zinc/48/76/62/386487662.db2.gz ZAOBPOACPXQZKR-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP COc1ccccc1/C=C\C[NH2+]C1[C@H]2C[NH2+]C[C@@H]12 ZINC000415042851 386529336 /nfs/dbraw/zinc/52/93/36/386529336.db2.gz SXJUSZMXLURCCL-FPBWSKMOSA-N 2 1 244.338 1.516 20 0 BDADMP C[C@@H]1C[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000415050435 386504830 /nfs/dbraw/zinc/50/48/30/386504830.db2.gz YRZWLMQEFDQTIA-GRYCIOLGSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[C@@H](CN[C@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000415050440 386506522 /nfs/dbraw/zinc/50/65/22/386506522.db2.gz YRZWLMQEFDQTIA-WOPDTQHZSA-N 2 1 225.380 1.105 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@H]1CCOC1 ZINC000415051536 386508433 /nfs/dbraw/zinc/50/84/33/386508433.db2.gz GCHFYYSZLXNJQQ-QWRGUYRKSA-N 2 1 214.353 1.376 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000335447699 386514633 /nfs/dbraw/zinc/51/46/33/386514633.db2.gz ICLNJCJHXRNESZ-LBPRGKRZSA-N 2 1 219.332 1.608 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000335447699 386514640 /nfs/dbraw/zinc/51/46/40/386514640.db2.gz ICLNJCJHXRNESZ-LBPRGKRZSA-N 2 1 219.332 1.608 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCOC(C)C)CC[C@@H]1[NH3+] ZINC000647936457 386527294 /nfs/dbraw/zinc/52/72/94/386527294.db2.gz FJBMZKJLKOXXFW-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770225 386454672 /nfs/dbraw/zinc/45/46/72/386454672.db2.gz XVGDKWXUCNRTSF-VXGBXAGGSA-N 2 1 236.363 1.240 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOCC2CC2)CC[C@H]1[NH3+] ZINC000647936508 386528335 /nfs/dbraw/zinc/52/83/35/386528335.db2.gz GLQXTHZYILOPCX-CHWSQXEVSA-N 2 1 226.364 1.472 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978047 386576507 /nfs/dbraw/zinc/57/65/07/386576507.db2.gz LPLCNSTZSUGYPR-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978048 386577067 /nfs/dbraw/zinc/57/70/67/386577067.db2.gz LPLCNSTZSUGYPR-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000300412902 386594995 /nfs/dbraw/zinc/59/49/95/386594995.db2.gz WULKRYKKTVITQV-FVCCEPFGSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000300412902 386595000 /nfs/dbraw/zinc/59/50/00/386595000.db2.gz WULKRYKKTVITQV-FVCCEPFGSA-N 2 1 240.391 1.872 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000519698024 386530961 /nfs/dbraw/zinc/53/09/61/386530961.db2.gz AHOUYIMUKVHDDQ-QWHCGFSZSA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711313 386541545 /nfs/dbraw/zinc/54/15/45/386541545.db2.gz OJTFAOGBIZWHSX-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000519711318 386542969 /nfs/dbraw/zinc/54/29/69/386542969.db2.gz OJTFAOGBIZWHSX-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@H]1CCCSC1)C1CCCC1 ZINC000415063515 386545572 /nfs/dbraw/zinc/54/55/72/386545572.db2.gz IKJDPWWJTGLLGS-NWDGAFQWSA-N 2 1 228.405 1.989 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415064562 386546024 /nfs/dbraw/zinc/54/60/24/386546024.db2.gz KZRIDLSGNUSPAC-AAEUAGOBSA-N 2 1 236.363 1.379 20 0 BDADMP Cc1cc(Cl)ccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415064797 386547405 /nfs/dbraw/zinc/54/74/05/386547405.db2.gz DMZYQUIIVKEDRV-GFCCVEGCSA-N 2 1 242.750 1.400 20 0 BDADMP Cc1cc(Cl)ccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415064797 386547410 /nfs/dbraw/zinc/54/74/10/386547410.db2.gz DMZYQUIIVKEDRV-GFCCVEGCSA-N 2 1 242.750 1.400 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCCNC2)CC[NH2+]1 ZINC000415073552 386564556 /nfs/dbraw/zinc/56/45/56/386564556.db2.gz NPQCICIGZDHHSX-UPJWGTAASA-N 2 1 225.380 1.106 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415116684 386630634 /nfs/dbraw/zinc/63/06/34/386630634.db2.gz UZERTPMOWGMMQJ-ZDUSSCGKSA-N 3 1 227.396 1.308 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1c[nH]nc1C ZINC000414810557 386631387 /nfs/dbraw/zinc/63/13/87/386631387.db2.gz XTGVLVOFHIYYDC-UHFFFAOYSA-N 2 1 210.325 1.325 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](CF)C2)CC[NH2+]1 ZINC000415120679 386632240 /nfs/dbraw/zinc/63/22/40/386632240.db2.gz JAUOZOPUVYZGPF-WOPDTQHZSA-N 2 1 230.327 1.045 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCSC1 ZINC000414812031 386638674 /nfs/dbraw/zinc/63/86/74/386638674.db2.gz KFPRVBZAUJXCSN-MNOVXSKESA-N 2 1 216.394 1.989 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000414814883 386649214 /nfs/dbraw/zinc/64/92/14/386649214.db2.gz OLYPIXRZPJBBGH-LBPRGKRZSA-N 3 1 213.369 1.093 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC000278934334 386608124 /nfs/dbraw/zinc/60/81/24/386608124.db2.gz WQYRIOWUBMZOJX-ZDUSSCGKSA-N 2 1 248.374 1.580 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC000278934334 386608132 /nfs/dbraw/zinc/60/81/32/386608132.db2.gz WQYRIOWUBMZOJX-ZDUSSCGKSA-N 2 1 248.374 1.580 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CC[NH2+]C2)cc(C)c1O ZINC000415092753 386609514 /nfs/dbraw/zinc/60/95/14/386609514.db2.gz BDHZXOUPDOIHLI-CYBMUJFWSA-N 2 1 234.343 1.503 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc(N)s1 ZINC000414807660 386611774 /nfs/dbraw/zinc/61/17/74/386611774.db2.gz IZZHDZXSZUURHN-UHFFFAOYSA-N 2 1 228.365 1.163 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1CCO ZINC000415096383 386614870 /nfs/dbraw/zinc/61/48/70/386614870.db2.gz PQGKNQMXOTYLSA-VXGBXAGGSA-N 2 1 214.353 1.207 20 0 BDADMP Cc1ccncc1CCC[N@H+]1CC[C@H](CO)C1 ZINC000278976116 386615251 /nfs/dbraw/zinc/61/52/51/386615251.db2.gz OZGAFGDVTZDWFX-ZDUSSCGKSA-N 2 1 234.343 1.637 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cncc(F)c1 ZINC000415108054 386616635 /nfs/dbraw/zinc/61/66/35/386616635.db2.gz KDCFPPDTZJNKBH-QWRGUYRKSA-N 2 1 237.322 1.871 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647954657 386682063 /nfs/dbraw/zinc/68/20/63/386682063.db2.gz GAYJUUBGIMPCJU-AWEZNQCLSA-N 3 1 239.407 1.437 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccccc1C ZINC000414820258 386665245 /nfs/dbraw/zinc/66/52/45/386665245.db2.gz BSJPFTYJNCNXOV-GFCCVEGCSA-N 2 1 206.333 1.735 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414818883 386667453 /nfs/dbraw/zinc/66/74/53/386667453.db2.gz WYKSWHBDFCDINH-ZDUSSCGKSA-N 2 1 249.358 1.393 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]CCC(C)(C)C(=O)OC ZINC000414819246 386669821 /nfs/dbraw/zinc/66/98/21/386669821.db2.gz YESSYCIPWVTFTB-NSHDSACASA-N 2 1 244.379 1.683 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414927188 386682613 /nfs/dbraw/zinc/68/26/13/386682613.db2.gz LNZQHFRTDQMCFL-TUAOUCFPSA-N 2 1 226.364 1.532 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000414823916 386680734 /nfs/dbraw/zinc/68/07/34/386680734.db2.gz JEELUHPYBJSVKQ-CYBMUJFWSA-N 2 1 234.343 1.362 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414927162 386681431 /nfs/dbraw/zinc/68/14/31/386681431.db2.gz LJUFRBHWBFWJER-VHSXEESVSA-N 2 1 210.296 1.866 20 0 BDADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCOCC[NH3+] ZINC000357069959 386710046 /nfs/dbraw/zinc/71/00/46/386710046.db2.gz IDUIBVMIEAKXKU-ZFWWWQNUSA-N 2 1 248.370 1.840 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000357073472 386711256 /nfs/dbraw/zinc/71/12/56/386711256.db2.gz LRVKLONGHNEYKB-OAHLLOKOSA-N 2 1 248.370 1.451 20 0 BDADMP Cc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)co1 ZINC000647959131 386707101 /nfs/dbraw/zinc/70/71/01/386707101.db2.gz ZNRQOPWNWSYWDN-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000357071469 386712501 /nfs/dbraw/zinc/71/25/01/386712501.db2.gz CCBXLKNNZAGZFA-CQSZACIVSA-N 2 1 249.358 1.148 20 0 BDADMP C[NH2+]CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414833622 386712731 /nfs/dbraw/zinc/71/27/31/386712731.db2.gz SRMMIMOMXDXUPH-UHFFFAOYSA-N 2 1 226.364 1.535 20 0 BDADMP C1CC1[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000325061694 386715263 /nfs/dbraw/zinc/71/52/63/386715263.db2.gz SPWHTCFCVQRXDH-CHWSQXEVSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1cc[nH]n1)CC[NH2+]CC2 ZINC000335544012 386727006 /nfs/dbraw/zinc/72/70/06/386727006.db2.gz QALFYZVMASQUCD-LLVKDONJSA-N 2 1 234.347 1.374 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334141054 386740850 /nfs/dbraw/zinc/74/08/50/386740850.db2.gz DOQIKTSGDHRSQX-ZYHUDNBSSA-N 2 1 244.342 1.732 20 0 BDADMP CC[C@H]1CO[C@@H](C)CN1CCn1ccnc1 ZINC000269100784 386751104 /nfs/dbraw/zinc/75/11/04/386751104.db2.gz OWNYUKUJNOLRJS-RYUDHWBXSA-N 2 1 223.320 1.382 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000122327053 386741007 /nfs/dbraw/zinc/74/10/07/386741007.db2.gz KUDNUPGNGMTRLZ-GZMMTYOYSA-N 2 1 239.388 1.929 20 0 BDADMP CC[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC000414929757 386741435 /nfs/dbraw/zinc/74/14/35/386741435.db2.gz RZLMJEQQGVATAN-XQQFMLRXSA-N 2 1 226.364 1.533 20 0 BDADMP CCn1nc(C)c(C[NH2+]C[C@@H](C)C[NH2+]C)c1C ZINC000414839208 386742238 /nfs/dbraw/zinc/74/22/38/386742238.db2.gz LYHNLEODDHMNDF-JTQLQIEISA-N 2 1 238.379 1.465 20 0 BDADMP CC[NH2+]CC[NH2+]CCCc1ccc(C)nc1 ZINC000414844564 386777559 /nfs/dbraw/zinc/77/75/59/386777559.db2.gz KWMHTWGDTAZNOS-UHFFFAOYSA-N 2 1 221.348 1.522 20 0 BDADMP Cc1nocc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000293205363 386788147 /nfs/dbraw/zinc/78/81/47/386788147.db2.gz IWGAMOPKZRIFQX-LLVKDONJSA-N 2 1 246.314 1.532 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000395000937 386799089 /nfs/dbraw/zinc/79/90/89/386799089.db2.gz JKJVSJYIESRHFE-XUXIUFHCSA-N 2 1 242.407 1.977 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414936940 386843774 /nfs/dbraw/zinc/84/37/74/386843774.db2.gz CNXUTTSPUVEWBB-UFBFGSQYSA-N 2 1 224.735 1.744 20 0 BDADMP CC1(C)CCCN[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000414937918 386855919 /nfs/dbraw/zinc/85/59/19/386855919.db2.gz XUPYTNRFJIXPHU-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C(C[N@H+]1CCO[C@H]2CCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919585 386872875 /nfs/dbraw/zinc/87/28/75/386872875.db2.gz LFKHSYNDUJJOKI-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051919139 386873824 /nfs/dbraw/zinc/87/38/24/386873824.db2.gz DQRRMQIZWMGART-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000331668053 386882245 /nfs/dbraw/zinc/88/22/45/386882245.db2.gz RHQDHYQKSSQBTN-YVECIDJPSA-N 2 1 225.380 1.363 20 0 BDADMP CCn1ccnc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000395509540 386908096 /nfs/dbraw/zinc/90/80/96/386908096.db2.gz OWBPOZLLTDZMET-MNOVXSKESA-N 2 1 222.336 1.120 20 0 BDADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358259135 386921231 /nfs/dbraw/zinc/92/12/31/386921231.db2.gz ULKDDHCJKLFZDQ-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358259135 386921235 /nfs/dbraw/zinc/92/12/35/386921235.db2.gz ULKDDHCJKLFZDQ-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334866732 386924450 /nfs/dbraw/zinc/92/44/50/386924450.db2.gz CFBNXJIRPGGVLR-JSGCOSHPSA-N 2 1 248.374 1.682 20 0 BDADMP CC(C)(C)[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000358351163 386938175 /nfs/dbraw/zinc/93/81/75/386938175.db2.gz KXVAMFWFISYZLZ-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1c[nH+]ccc1N ZINC000332435939 386978963 /nfs/dbraw/zinc/97/89/63/386978963.db2.gz IOJSGGRQHFPAQI-UWJYBYFXSA-N 2 1 235.331 1.304 20 0 BDADMP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000395205991 386999370 /nfs/dbraw/zinc/99/93/70/386999370.db2.gz ONNBQKKKQUOKAJ-OBJOEFQTSA-N 2 1 239.407 1.589 20 0 BDADMP [NH3+]CCN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334966031 387047544 /nfs/dbraw/zinc/04/75/44/387047544.db2.gz DWKHDETWLHGKEP-GFCCVEGCSA-N 2 1 248.374 1.358 20 0 BDADMP CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369654304 387059091 /nfs/dbraw/zinc/05/90/91/387059091.db2.gz CPUYYNNVOGNHHE-ZOBORPQBSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369654304 387059094 /nfs/dbraw/zinc/05/90/94/387059094.db2.gz CPUYYNNVOGNHHE-ZOBORPQBSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369654304 387059095 /nfs/dbraw/zinc/05/90/95/387059095.db2.gz CPUYYNNVOGNHHE-ZOBORPQBSA-N 2 1 238.375 1.173 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC1(C)C ZINC000284096371 387064228 /nfs/dbraw/zinc/06/42/28/387064228.db2.gz BPVFQVPAHSNOJT-LLVKDONJSA-N 2 1 207.321 1.970 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000333119181 387018615 /nfs/dbraw/zinc/01/86/15/387018615.db2.gz HVNZLUYJRXNVRK-RWMBFGLXSA-N 2 1 225.380 1.236 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@H](C)CN1 ZINC000334983419 387069629 /nfs/dbraw/zinc/06/96/29/387069629.db2.gz KBMUCMSDUDWAEB-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CCC2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000334983419 387069632 /nfs/dbraw/zinc/06/96/32/387069632.db2.gz KBMUCMSDUDWAEB-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CCCCC[N@@H+](CCO)CCC1CC[NH2+]CC1 ZINC000359227350 387070685 /nfs/dbraw/zinc/07/06/85/387070685.db2.gz WLHQVALIIKLFSU-UHFFFAOYSA-N 2 1 242.407 1.861 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000423298878 387130543 /nfs/dbraw/zinc/13/05/43/387130543.db2.gz PBLZOVWFHYUUPX-MJBXVCDLSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423299481 387130621 /nfs/dbraw/zinc/13/06/21/387130621.db2.gz BVCLMLVHOKONNI-ZETCQYMHSA-N 2 1 244.260 1.974 20 0 BDADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000334994871 387086474 /nfs/dbraw/zinc/08/64/74/387086474.db2.gz VSXCLHJKXVVSFR-KGLIPLIRSA-N 2 1 238.375 1.631 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC000334996826 387087750 /nfs/dbraw/zinc/08/77/50/387087750.db2.gz VYUNURGCAHGILO-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[N@H+]1C ZINC000335011478 387107446 /nfs/dbraw/zinc/10/74/46/387107446.db2.gz SXIJHRFSZPCIKQ-STQMWFEESA-N 2 1 239.407 1.720 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000250796854 387122757 /nfs/dbraw/zinc/12/27/57/387122757.db2.gz MFEHWYIUWSNTSR-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335029217 387123348 /nfs/dbraw/zinc/12/33/48/387123348.db2.gz GYNLAMSIEATLLI-HIFRSBDPSA-N 2 1 246.354 1.642 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000423305721 387141839 /nfs/dbraw/zinc/14/18/39/387141839.db2.gz CKWHLIRMVWLZMM-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccncc1F ZINC000423307717 387142895 /nfs/dbraw/zinc/14/28/95/387142895.db2.gz NPXGYQSSTJGGDI-IUCAKERBSA-N 2 1 211.284 1.466 20 0 BDADMP CCCNCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000423310500 387145660 /nfs/dbraw/zinc/14/56/60/387145660.db2.gz NOGBHZZOLVSOIB-NSHDSACASA-N 2 1 201.358 1.093 20 0 BDADMP CCC[NH2+]CCN[C@@H](C)CCCC[NH3+] ZINC000423310500 387145663 /nfs/dbraw/zinc/14/56/63/387145663.db2.gz NOGBHZZOLVSOIB-NSHDSACASA-N 2 1 201.358 1.093 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423309048 387145913 /nfs/dbraw/zinc/14/59/13/387145913.db2.gz YQSFNXBNEBBDNR-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP c1cncc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000249910569 387152058 /nfs/dbraw/zinc/15/20/58/387152058.db2.gz NNGFNXBMGMWBOO-CABCVRRESA-N 2 1 245.370 1.841 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] ZINC000423342923 387192805 /nfs/dbraw/zinc/19/28/05/387192805.db2.gz ZLYMLSZBCMQBAE-VWYCJHECSA-N 2 1 200.326 1.128 20 0 BDADMP Nc1ncc(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000571762387 387162772 /nfs/dbraw/zinc/16/27/72/387162772.db2.gz IDKQNENHCZATLL-SECBINFHSA-N 2 1 240.376 1.116 20 0 BDADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423330215 387175026 /nfs/dbraw/zinc/17/50/26/387175026.db2.gz UCBRSPWYYATHLJ-LLVKDONJSA-N 2 1 248.374 1.868 20 0 BDADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(CO)c1 ZINC000423335392 387184575 /nfs/dbraw/zinc/18/45/75/387184575.db2.gz XGMNRZQAXXRCKR-YGRLFVJLSA-N 2 1 234.343 1.567 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000423301956 387135592 /nfs/dbraw/zinc/13/55/92/387135592.db2.gz UTSJTYFHMVZGTB-JHJVBQTASA-N 2 1 228.380 1.909 20 0 BDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1F ZINC000423305321 387138846 /nfs/dbraw/zinc/13/88/46/387138846.db2.gz QPWANIXZJQXOPY-VIFPVBQESA-N 2 1 208.280 1.696 20 0 BDADMP C[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000423356709 387206964 /nfs/dbraw/zinc/20/69/64/387206964.db2.gz HFPOMIPCJQPLBP-YNEHKIRRSA-N 2 1 225.380 1.201 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423359089 387209429 /nfs/dbraw/zinc/20/94/29/387209429.db2.gz KDCXRYWXPPRQDY-RFGFWPKPSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423363318 387214908 /nfs/dbraw/zinc/21/49/08/387214908.db2.gz BUMXJIPAKBLGHC-FVCCEPFGSA-N 3 1 225.380 1.092 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@H+]1C1CC1 ZINC000423364138 387215805 /nfs/dbraw/zinc/21/58/05/387215805.db2.gz ATVSQSNRDRWKBH-FDYHWXHSSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CN1C1CC1 ZINC000423364138 387215806 /nfs/dbraw/zinc/21/58/06/387215806.db2.gz ATVSQSNRDRWKBH-FDYHWXHSSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423367650 387218200 /nfs/dbraw/zinc/21/82/00/387218200.db2.gz YQSFNXBNEBBDNR-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423369314 387221099 /nfs/dbraw/zinc/22/10/99/387221099.db2.gz OGICHQWKKOKXDN-VHSXEESVSA-N 2 1 235.331 1.643 20 0 BDADMP CC(C)CC[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000572048678 387227194 /nfs/dbraw/zinc/22/71/94/387227194.db2.gz NIPFFLIKZHOCBT-CYBMUJFWSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423396367 387231302 /nfs/dbraw/zinc/23/13/02/387231302.db2.gz NSTRIYKBGKSPJE-GARJFASQSA-N 2 1 202.317 1.842 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@H+]1C1CC1 ZINC000423403616 387241814 /nfs/dbraw/zinc/24/18/14/387241814.db2.gz YQXCHVDGZGMPDU-UHXUPSOCSA-N 2 1 237.391 1.342 20 0 BDADMP CSCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000120414576 387244439 /nfs/dbraw/zinc/24/44/39/387244439.db2.gz WLLVJBUFSGRONN-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP CSCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000120414576 387244440 /nfs/dbraw/zinc/24/44/40/387244440.db2.gz WLLVJBUFSGRONN-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP CSCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000120414576 387244444 /nfs/dbraw/zinc/24/44/44/387244444.db2.gz WLLVJBUFSGRONN-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP CCOC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH3+] ZINC000423410004 387246265 /nfs/dbraw/zinc/24/62/65/387246265.db2.gz ZLYMLSZBCMQBAE-AXFHLTTASA-N 2 1 200.326 1.128 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000360249689 387250561 /nfs/dbraw/zinc/25/05/61/387250561.db2.gz DODAWLUVVGDJJO-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000423344810 387196058 /nfs/dbraw/zinc/19/60/58/387196058.db2.gz YEXPDZUUJSNTHL-OLZOCXBDSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccnn1C ZINC000423344994 387196125 /nfs/dbraw/zinc/19/61/25/387196125.db2.gz OQKIGCFTEMZUEX-DGCLKSJQSA-N 2 1 236.363 1.460 20 0 BDADMP CC[N@@H+](C)CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000395701501 387310276 /nfs/dbraw/zinc/31/02/76/387310276.db2.gz BAWYCAPAKPEQEN-NSHDSACASA-N 2 1 243.395 1.079 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423461835 387310519 /nfs/dbraw/zinc/31/05/19/387310519.db2.gz TWTHMFNFURVEFS-LERXQTSPSA-N 2 1 233.359 1.848 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000423390574 387276208 /nfs/dbraw/zinc/27/62/08/387276208.db2.gz WICOKKRLKDXFIL-VWYCJHECSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423391411 387276701 /nfs/dbraw/zinc/27/67/01/387276701.db2.gz PKAKSMGPHJUNMP-CHWSQXEVSA-N 3 1 241.423 1.872 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cncc(F)c1 ZINC000423392734 387279235 /nfs/dbraw/zinc/27/92/35/387279235.db2.gz LYNYSXYWGMXJKX-GBIKHYSHSA-N 2 1 237.322 1.869 20 0 BDADMP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431120 387282398 /nfs/dbraw/zinc/28/23/98/387282398.db2.gz LJGSNLDMDAIJBX-SRRSOLGSSA-N 2 1 234.368 1.933 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1CCCC2(CC2)C1 ZINC000514738450 387284133 /nfs/dbraw/zinc/28/41/33/387284133.db2.gz YCZWNNSYABOGHP-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000514738450 387284141 /nfs/dbraw/zinc/28/41/41/387284141.db2.gz YCZWNNSYABOGHP-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CCCC2(CC2)C1 ZINC000514738450 387284146 /nfs/dbraw/zinc/28/41/46/387284146.db2.gz YCZWNNSYABOGHP-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000514738450 387284154 /nfs/dbraw/zinc/28/41/54/387284154.db2.gz YCZWNNSYABOGHP-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000514738450 387284158 /nfs/dbraw/zinc/28/41/58/387284158.db2.gz YCZWNNSYABOGHP-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000514738450 387284162 /nfs/dbraw/zinc/28/41/62/387284162.db2.gz YCZWNNSYABOGHP-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC2(CC2)C1 ZINC000514738450 387284168 /nfs/dbraw/zinc/28/41/68/387284168.db2.gz YCZWNNSYABOGHP-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCCC[C@H]1N ZINC000423431994 387284782 /nfs/dbraw/zinc/28/47/82/387284782.db2.gz MECGEOXRCYJBGP-JHJVBQTASA-N 2 1 227.396 1.754 20 0 BDADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423440142 387289625 /nfs/dbraw/zinc/28/96/25/387289625.db2.gz APKHPHNLOPUKDY-JZRPKSSGSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000160571647 387303511 /nfs/dbraw/zinc/30/35/11/387303511.db2.gz UIPRNJNAECUJFO-VHSXEESVSA-N 2 1 210.346 1.917 20 0 BDADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423459405 387306641 /nfs/dbraw/zinc/30/66/41/387306641.db2.gz HYPXTPGJXTYYRI-GWCFXTLKSA-N 2 1 222.332 1.567 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643501845 387354507 /nfs/dbraw/zinc/35/45/07/387354507.db2.gz QZRPMHCQYGYWBU-MBNYWOFBSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423530157 387359251 /nfs/dbraw/zinc/35/92/51/387359251.db2.gz YJDFQLIQYAVWSJ-STQMWFEESA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)[C@H](C)O1 ZINC000423543439 387369040 /nfs/dbraw/zinc/36/90/40/387369040.db2.gz BVVUKOVUDKNOBT-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000515384207 387372752 /nfs/dbraw/zinc/37/27/52/387372752.db2.gz DHFQLKQCEMYUOP-WYUUTHIRSA-N 2 1 214.328 1.855 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121516488 387374746 /nfs/dbraw/zinc/37/47/46/387374746.db2.gz MWCRWBASGYBQEY-WCQYABFASA-N 2 1 239.363 1.842 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000354088219 387329626 /nfs/dbraw/zinc/32/96/26/387329626.db2.gz MMDZGDXMMYMUMQ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423487930 387333213 /nfs/dbraw/zinc/33/32/13/387333213.db2.gz UVVBHIVKOAHVTH-AVGNSLFASA-N 2 1 225.380 1.249 20 0 BDADMP C[C@H](NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423487936 387333900 /nfs/dbraw/zinc/33/39/00/387333900.db2.gz UVVBHIVKOAHVTH-YNEHKIRRSA-N 2 1 225.380 1.249 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423514139 387346888 /nfs/dbraw/zinc/34/68/88/387346888.db2.gz MBSZRXLWDQVWDS-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)[C@H](C)O1 ZINC000423513950 387348628 /nfs/dbraw/zinc/34/86/28/387348628.db2.gz VXMJQPUQPHABGH-RSLMWUCJSA-N 2 1 226.364 1.659 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@@H]1CC1(C)C ZINC000423516153 387350865 /nfs/dbraw/zinc/35/08/65/387350865.db2.gz NMQQOBFFKCSQJD-AVGNSLFASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423520107 387353543 /nfs/dbraw/zinc/35/35/43/387353543.db2.gz DQCTZCJCGXSENO-MBNYWOFBSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423520107 387353546 /nfs/dbraw/zinc/35/35/46/387353546.db2.gz DQCTZCJCGXSENO-MBNYWOFBSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423520107 387353550 /nfs/dbraw/zinc/35/35/50/387353550.db2.gz DQCTZCJCGXSENO-MBNYWOFBSA-N 3 1 239.407 1.447 20 0 BDADMP COC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000515864476 387430170 /nfs/dbraw/zinc/43/01/70/387430170.db2.gz DSIVPFYAHXVCQS-GRYCIOLGSA-N 2 1 212.337 1.190 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC(C)(C)C2)CC[N@@H+]1C ZINC000396838372 387499663 /nfs/dbraw/zinc/49/96/63/387499663.db2.gz BBZRYYQENVTYJV-GRYCIOLGSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COC(C)(C)C2)CC[N@H+]1C ZINC000396838372 387499666 /nfs/dbraw/zinc/49/96/66/387499666.db2.gz BBZRYYQENVTYJV-GRYCIOLGSA-N 2 1 226.364 1.626 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H](OC)c1ccccc1 ZINC000379200750 387524003 /nfs/dbraw/zinc/52/40/03/387524003.db2.gz KRMIGMIZDJSPRV-CQSZACIVSA-N 2 1 236.359 1.915 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](OC)c1ccccc1 ZINC000379200750 387524007 /nfs/dbraw/zinc/52/40/07/387524007.db2.gz KRMIGMIZDJSPRV-CQSZACIVSA-N 2 1 236.359 1.915 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000310198560 387536055 /nfs/dbraw/zinc/53/60/55/387536055.db2.gz ZXQISERLTVHSQC-DGAVXFQQSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000310198560 387536060 /nfs/dbraw/zinc/53/60/60/387536060.db2.gz ZXQISERLTVHSQC-DGAVXFQQSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1CCOC1 ZINC000643506710 387463828 /nfs/dbraw/zinc/46/38/28/387463828.db2.gz GIRHISITNMUBLN-PWSUYJOCSA-N 2 1 212.337 1.143 20 0 BDADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507507 387478074 /nfs/dbraw/zinc/47/80/74/387478074.db2.gz GYWPIOITWORXKU-YPMHNXCESA-N 2 1 226.364 1.533 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCF)C1 ZINC000361517994 387480020 /nfs/dbraw/zinc/48/00/20/387480020.db2.gz GWHFQFGNSLFGQN-ZDUSSCGKSA-N 2 1 246.370 1.779 20 0 BDADMP C[N@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@H]2CCC[C@H]21 ZINC000643507929 387482173 /nfs/dbraw/zinc/48/21/73/387482173.db2.gz WMGWQIIVMFTSTH-HZSPNIEDSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400816332 387486349 /nfs/dbraw/zinc/48/63/49/387486349.db2.gz ZWQHPWPHWUEQSR-SNPRPXQTSA-N 2 1 248.370 1.320 20 0 BDADMP Cc1ccc(CCC[N@@H+]2C[C@H](C)[C@H](CO)C2)cn1 ZINC000355147705 387486633 /nfs/dbraw/zinc/48/66/33/387486633.db2.gz DHBMRVQPHSMWJI-WFASDCNBSA-N 2 1 248.370 1.883 20 0 BDADMP Cc1ccc(CCC[N@@H+]2C[C@H](C)[C@@H](CO)C2)cn1 ZINC000355147704 387487500 /nfs/dbraw/zinc/48/75/00/387487500.db2.gz DHBMRVQPHSMWJI-SWLSCSKDSA-N 2 1 248.370 1.883 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000643508340 387487753 /nfs/dbraw/zinc/48/77/53/387487753.db2.gz PDMRCIIKTVYGID-KBPBESRZSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000643508340 387487758 /nfs/dbraw/zinc/48/77/58/387487758.db2.gz PDMRCIIKTVYGID-KBPBESRZSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000643508340 387487763 /nfs/dbraw/zinc/48/77/63/387487763.db2.gz PDMRCIIKTVYGID-KBPBESRZSA-N 3 1 239.407 1.591 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000643510610 387582640 /nfs/dbraw/zinc/58/26/40/387582640.db2.gz WUTSQBKFBZKDKN-ZYHUDNBSSA-N 2 1 236.363 1.758 20 0 BDADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375851005 387587319 /nfs/dbraw/zinc/58/73/19/387587319.db2.gz KJUVZUYVYPQCMD-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375851005 387587322 /nfs/dbraw/zinc/58/73/22/387587322.db2.gz KJUVZUYVYPQCMD-MJBXVCDLSA-N 3 1 239.407 1.401 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375851005 387587324 /nfs/dbraw/zinc/58/73/24/387587324.db2.gz KJUVZUYVYPQCMD-MJBXVCDLSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000528757999 387588725 /nfs/dbraw/zinc/58/87/25/387588725.db2.gz DNAZBQWXDKXHNG-XVIXHAIJSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643511200 387591471 /nfs/dbraw/zinc/59/14/71/387591471.db2.gz OYLYEDZOWGQICJ-TZMCWYRMSA-N 3 1 241.423 1.680 20 0 BDADMP CC[C@H](NCC[N@@H+](C)CC)[C@H]1CCCC[NH2+]1 ZINC000422717006 387629102 /nfs/dbraw/zinc/62/91/02/387629102.db2.gz NXEXZOUMPJPEIV-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccnc(N)c2)C[C@@H]1C[NH3+] ZINC000422638212 387610832 /nfs/dbraw/zinc/61/08/32/387610832.db2.gz PZEBGEXGKCIOKF-MDZLAQPJSA-N 2 1 248.374 1.299 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422689968 387613052 /nfs/dbraw/zinc/61/30/52/387613052.db2.gz FXYAAHOYWNKHGE-RYUDHWBXSA-N 2 1 248.374 1.487 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2ccccc2n1)C1C[NH2+]C1 ZINC000422700272 387614645 /nfs/dbraw/zinc/61/46/45/387614645.db2.gz GFINPZPXQKJUOD-LLVKDONJSA-N 2 1 241.338 1.932 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422698414 387615916 /nfs/dbraw/zinc/61/59/16/387615916.db2.gz ZESBWWUCXIWOBL-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+](C)C1CCCCC1 ZINC000422702323 387617998 /nfs/dbraw/zinc/61/79/98/387617998.db2.gz KKSWEHPGISGPOT-STQMWFEESA-N 2 1 241.423 1.966 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422707907 387620458 /nfs/dbraw/zinc/62/04/58/387620458.db2.gz IKFQGLSGKGAHLA-KBPBESRZSA-N 2 1 241.423 1.825 20 0 BDADMP CCCCN(C)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422707907 387620461 /nfs/dbraw/zinc/62/04/61/387620461.db2.gz IKFQGLSGKGAHLA-KBPBESRZSA-N 2 1 241.423 1.825 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422708811 387623800 /nfs/dbraw/zinc/62/38/00/387623800.db2.gz JKDJKQCIRVZOOD-UONOGXRCSA-N 2 1 241.423 1.839 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422708927 387624215 /nfs/dbraw/zinc/62/42/15/387624215.db2.gz JVXFOPUSMXIDOH-CHWSQXEVSA-N 2 1 227.396 1.435 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422712486 387625593 /nfs/dbraw/zinc/62/55/93/387625593.db2.gz OHIRKFQXEDKTNB-VXGBXAGGSA-N 2 1 215.385 1.434 20 0 BDADMP CCCCN(C)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422712486 387625598 /nfs/dbraw/zinc/62/55/98/387625598.db2.gz OHIRKFQXEDKTNB-VXGBXAGGSA-N 2 1 215.385 1.434 20 0 BDADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOC1 ZINC000397192128 387549824 /nfs/dbraw/zinc/54/98/24/387549824.db2.gz PTWWZUWGBLPUCY-CQSZACIVSA-N 2 1 238.375 1.629 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000037051640 387560701 /nfs/dbraw/zinc/56/07/01/387560701.db2.gz XBNLSNITSGALKU-LBPRGKRZSA-N 2 1 236.363 1.339 20 0 BDADMP CO[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000037256229 387562132 /nfs/dbraw/zinc/56/21/32/387562132.db2.gz JTAFKQVULXAHKU-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000305148288 387562741 /nfs/dbraw/zinc/56/27/41/387562741.db2.gz SMNHDRDSLOQJOL-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)nc1 ZINC000399680617 387565891 /nfs/dbraw/zinc/56/58/91/387565891.db2.gz QJIPFAUCDBQOJT-DZGCQCFKSA-N 2 1 247.386 1.862 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H](CO)CCC(C)(C)C)CC1 ZINC000355740114 387574830 /nfs/dbraw/zinc/57/48/30/387574830.db2.gz XZUYZGPTSSDKSH-CYBMUJFWSA-N 2 1 242.407 1.857 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422725057 387636082 /nfs/dbraw/zinc/63/60/82/387636082.db2.gz AGTZEDRQRGKTFK-ZIAGYGMSSA-N 3 1 241.423 1.696 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOC(C)C)C1 ZINC000430625499 387636323 /nfs/dbraw/zinc/63/63/23/387636323.db2.gz JNKZWXJENRNNJJ-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422725472 387636953 /nfs/dbraw/zinc/63/69/53/387636953.db2.gz BMGOUNKUYOTKHU-HZSPNIEDSA-N 2 1 239.407 1.720 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422747456 387651041 /nfs/dbraw/zinc/65/10/41/387651041.db2.gz YSMISYMCUHVGNP-BNOWGMLFSA-N 2 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422747456 387651044 /nfs/dbraw/zinc/65/10/44/387651044.db2.gz YSMISYMCUHVGNP-BNOWGMLFSA-N 2 1 237.391 1.473 20 0 BDADMP CCN(CC)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422749165 387652922 /nfs/dbraw/zinc/65/29/22/387652922.db2.gz XVQLAJUOQMCNEJ-OLZOCXBDSA-N 2 1 227.396 1.306 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000430803185 387654754 /nfs/dbraw/zinc/65/47/54/387654754.db2.gz RAKLQKVZCPBHIB-SRVKXCTJSA-N 2 1 241.379 1.055 20 0 BDADMP CC(C)COCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422794553 387695430 /nfs/dbraw/zinc/69/54/30/387695430.db2.gz ZAGZBUAGEQAHRZ-CHWSQXEVSA-N 2 1 228.380 1.637 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000430803186 387654846 /nfs/dbraw/zinc/65/48/46/387654846.db2.gz RAKLQKVZCPBHIB-TUAOUCFPSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422750020 387655599 /nfs/dbraw/zinc/65/55/99/387655599.db2.gz BWNLKYZSSVDVQQ-AVGNSLFASA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@@H](NC[C@H]1CCC[N@H+]1CC)[C@@H]1CCC[NH2+]1 ZINC000422755599 387658951 /nfs/dbraw/zinc/65/89/51/387658951.db2.gz KRGHPSQDGCUDHO-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP CSC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422755208 387659437 /nfs/dbraw/zinc/65/94/37/387659437.db2.gz KMFHGSYAOUTHPU-MXWKQRLJSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422761488 387662926 /nfs/dbraw/zinc/66/29/26/387662926.db2.gz MQLWNXGQMYPSBI-XDQVBPFNSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](CN1CCC[C@H](C)C1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422761488 387662930 /nfs/dbraw/zinc/66/29/30/387662930.db2.gz MQLWNXGQMYPSBI-XDQVBPFNSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000422763459 387664981 /nfs/dbraw/zinc/66/49/81/387664981.db2.gz JAMORPZUMQVIIR-QWRGUYRKSA-N 2 1 232.331 1.550 20 0 BDADMP COc1ccccc1[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422768631 387667226 /nfs/dbraw/zinc/66/72/26/387667226.db2.gz ZIEVGAOYDLLFFI-MNOVXSKESA-N 2 1 234.343 1.954 20 0 BDADMP COc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1C ZINC000422768948 387667527 /nfs/dbraw/zinc/66/75/27/387667527.db2.gz VDTNENDRTAHMOC-OLZOCXBDSA-N 2 1 234.343 1.973 20 0 BDADMP CN(C)c1cc(NC(=O)C[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000431001383 387668297 /nfs/dbraw/zinc/66/82/97/387668297.db2.gz JKLBKACPUFHAKI-JTQLQIEISA-N 2 1 248.330 1.228 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000422770153 387670355 /nfs/dbraw/zinc/67/03/55/387670355.db2.gz UKRATVYCCOXEHR-CHWSQXEVSA-N 2 1 225.380 1.332 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422772150 387671249 /nfs/dbraw/zinc/67/12/49/387671249.db2.gz YXDKWMFWXYVATC-AVGNSLFASA-N 2 1 242.407 1.904 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000422775386 387671616 /nfs/dbraw/zinc/67/16/16/387671616.db2.gz BLOWNJDNNYYJGL-KBPBESRZSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000422777020 387675623 /nfs/dbraw/zinc/67/56/23/387675623.db2.gz BQDBKECDYCIIHR-SMDDNHRTSA-N 2 1 236.334 1.956 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000422778627 387678964 /nfs/dbraw/zinc/67/89/64/387678964.db2.gz HMDNJIJWQIBBRE-RQJABVFESA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCN1C ZINC000422778627 387678969 /nfs/dbraw/zinc/67/89/69/387678969.db2.gz HMDNJIJWQIBBRE-RQJABVFESA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000422778627 387678977 /nfs/dbraw/zinc/67/89/77/387678977.db2.gz HMDNJIJWQIBBRE-RQJABVFESA-N 3 1 239.407 1.447 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1C ZINC000422778627 387678986 /nfs/dbraw/zinc/67/89/86/387678986.db2.gz HMDNJIJWQIBBRE-RQJABVFESA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000422783523 387682689 /nfs/dbraw/zinc/68/26/89/387682689.db2.gz OFQAFGBGCOVDOF-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP CCO[C@@H]1COC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000451947102 387685615 /nfs/dbraw/zinc/68/56/15/387685615.db2.gz OBOAJYCSJYAMBH-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@@H]([NH2+]CCCOCC1CC1)c1c[nH+]ccc1N ZINC000422787408 387685843 /nfs/dbraw/zinc/68/58/43/387685843.db2.gz QFXWRRLBIFOYSG-LLVKDONJSA-N 2 1 249.358 1.961 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694623 387686580 /nfs/dbraw/zinc/68/65/80/387686580.db2.gz YBBSLWASIJUQOT-VZZFWQQMSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694623 387686585 /nfs/dbraw/zinc/68/65/85/387686585.db2.gz YBBSLWASIJUQOT-VZZFWQQMSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000356905176 387744484 /nfs/dbraw/zinc/74/44/84/387744484.db2.gz UQDSKQUFLGYRSQ-IACUBPJLSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000422863817 387746021 /nfs/dbraw/zinc/74/60/21/387746021.db2.gz SHGDIHGEVJPELS-AAEUAGOBSA-N 2 1 237.391 1.201 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H](C)C[S@@](C)=O)CC1 ZINC000157145186 387751077 /nfs/dbraw/zinc/75/10/77/387751077.db2.gz PGGKVJUEDVZXBH-ZBEGNZNMSA-N 2 1 246.420 1.217 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H](C)C[S@](C)=O)CC1 ZINC000157144874 387751157 /nfs/dbraw/zinc/75/11/57/387751157.db2.gz PGGKVJUEDVZXBH-MEDUHNTESA-N 2 1 246.420 1.217 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000643526068 387754322 /nfs/dbraw/zinc/75/43/22/387754322.db2.gz OPHSHPHCKBJTJY-VXGBXAGGSA-N 2 1 244.342 1.870 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCCCC1 ZINC000422807943 387705996 /nfs/dbraw/zinc/70/59/96/387705996.db2.gz KMVOJYZAPRRCEE-NWDGAFQWSA-N 2 1 213.369 1.188 20 0 BDADMP CSCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377262466 387708496 /nfs/dbraw/zinc/70/84/96/387708496.db2.gz PGXDHQQZFPTALP-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527782542 387709143 /nfs/dbraw/zinc/70/91/43/387709143.db2.gz FVUWMFVFFDIKHV-SYQHCUMBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000643520997 387711281 /nfs/dbraw/zinc/71/12/81/387711281.db2.gz WZJFPQVFGLMQFH-BZPMIXESSA-N 3 1 239.407 1.304 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422817310 387714313 /nfs/dbraw/zinc/71/43/13/387714313.db2.gz CVIXQBNJZTXAFE-NEPJUHHUSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000422830235 387724110 /nfs/dbraw/zinc/72/41/10/387724110.db2.gz VNVBHAQXZCNZSY-RQJABVFESA-N 2 1 240.391 1.515 20 0 BDADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccn(C)n1 ZINC000643523224 387724539 /nfs/dbraw/zinc/72/45/39/387724539.db2.gz YBGMMWMREKHBLT-NWDGAFQWSA-N 2 1 236.363 1.603 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422842468 387732150 /nfs/dbraw/zinc/73/21/50/387732150.db2.gz YGOXZWOPANSOAA-WUHRBBMRSA-N 3 1 227.396 1.575 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1(C)C ZINC000422855990 387738762 /nfs/dbraw/zinc/73/87/62/387738762.db2.gz WEFQQPLYMCWIEI-JIMOISOXSA-N 2 1 249.358 1.958 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCOC(F)F)CC[N@H+]1C ZINC000194032040 387813705 /nfs/dbraw/zinc/81/37/05/387813705.db2.gz OYQDYBQLKJBDKU-NXEZZACHSA-N 2 1 236.306 1.688 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422891857 387764324 /nfs/dbraw/zinc/76/43/24/387764324.db2.gz LSMIPFYZUJJMFM-UWVGGRQHSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422894487 387766498 /nfs/dbraw/zinc/76/64/98/387766498.db2.gz CKWBIUWQIOMPDW-XUXIUFHCSA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422904255 387767726 /nfs/dbraw/zinc/76/77/26/387767726.db2.gz GNCBGPRXOGLXKM-UPJWGTAASA-N 2 1 227.396 1.447 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422910917 387769062 /nfs/dbraw/zinc/76/90/62/387769062.db2.gz RVYFGBZRHFSMMT-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422910917 387769070 /nfs/dbraw/zinc/76/90/70/387769070.db2.gz RVYFGBZRHFSMMT-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP c1ccc(C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000422914442 387770708 /nfs/dbraw/zinc/77/07/08/387770708.db2.gz UFVKZKMLLHZIRB-HUUCEWRRSA-N 2 1 230.355 1.959 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@H](C)[NH3+])c1cccnc1 ZINC000643528654 387770721 /nfs/dbraw/zinc/77/07/21/387770721.db2.gz MOIVNLDIDXREIM-JQWIXIFHSA-N 2 1 207.321 1.716 20 0 BDADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643529007 387772994 /nfs/dbraw/zinc/77/29/94/387772994.db2.gz SOHRYANSXCKPNL-BXKDBHETSA-N 2 1 220.316 1.619 20 0 BDADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528090 387774092 /nfs/dbraw/zinc/77/40/92/387774092.db2.gz ZIRVSEVRUUCANS-WZRBSPASSA-N 2 1 222.332 1.699 20 0 BDADMP CCN[C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643529605 387777605 /nfs/dbraw/zinc/77/76/05/387777605.db2.gz FZMXARORPUMSGH-VXGBXAGGSA-N 2 1 227.396 1.304 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000130217731 387779142 /nfs/dbraw/zinc/77/91/42/387779142.db2.gz UPULBHXGRKMVNR-MJBXVCDLSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000422932347 387782081 /nfs/dbraw/zinc/78/20/81/387782081.db2.gz FNPVUQXXZMFBQJ-ZYHUDNBSSA-N 2 1 208.349 1.764 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000422947868 387785663 /nfs/dbraw/zinc/78/56/63/387785663.db2.gz QPPXJGAOHFOMIN-QWHCGFSZSA-N 2 1 238.306 1.674 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422978537 387788723 /nfs/dbraw/zinc/78/87/23/387788723.db2.gz ZNMGWQDNXFYPGQ-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422994962 387803283 /nfs/dbraw/zinc/80/32/83/387803283.db2.gz WQQVYAIVIVOSCC-WOPDTQHZSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423001006 387804904 /nfs/dbraw/zinc/80/49/04/387804904.db2.gz HHBGGLGPODRGTQ-JHJVBQTASA-N 2 1 242.407 1.760 20 0 BDADMP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000193881106 387806128 /nfs/dbraw/zinc/80/61/28/387806128.db2.gz QAVZZEGYXOVYJC-CMPLNLGQSA-N 2 1 240.347 1.012 20 0 BDADMP CCc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])on1 ZINC000643457217 387808188 /nfs/dbraw/zinc/80/81/88/387808188.db2.gz GXDNERGJYUDZOP-BDAKNGLRSA-N 2 1 211.309 1.452 20 0 BDADMP Cc1cccc(NC[C@@H]2CCN(C[C@H](C)[NH3+])C2)n1 ZINC000442657243 387813612 /nfs/dbraw/zinc/81/36/12/387813612.db2.gz HFUAQLFCNKIFHC-AAEUAGOBSA-N 3 1 248.374 1.471 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000422882464 387758380 /nfs/dbraw/zinc/75/83/80/387758380.db2.gz SIRKYMFUGKFYFP-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422973049 387820454 /nfs/dbraw/zinc/82/04/54/387820454.db2.gz BBPUTMNRIOAEBB-KGYLQXTDSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423005395 387828933 /nfs/dbraw/zinc/82/89/33/387828933.db2.gz RWQMUXTWTQSRDX-UONOGXRCSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423005395 387828939 /nfs/dbraw/zinc/82/89/39/387828939.db2.gz RWQMUXTWTQSRDX-UONOGXRCSA-N 3 1 241.423 1.824 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000423017677 387841108 /nfs/dbraw/zinc/84/11/08/387841108.db2.gz PIUBPYSBVKIHLG-UHFFFAOYSA-N 3 1 237.391 1.355 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000423026575 387842957 /nfs/dbraw/zinc/84/29/57/387842957.db2.gz BPJKKIBBIIBZFM-UTUOFQBUSA-N 2 1 228.405 1.860 20 0 BDADMP COCCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423033782 387848176 /nfs/dbraw/zinc/84/81/76/387848176.db2.gz GXOGYJVYHDEQOD-RYUDHWBXSA-N 2 1 228.380 1.637 20 0 BDADMP C[C@H](N[C@H]1CCC[N@@H+](C)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032730 387849406 /nfs/dbraw/zinc/84/94/06/387849406.db2.gz NBGCKNMQVKTMKI-CYDGBPFRSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H](N[C@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032733 387849683 /nfs/dbraw/zinc/84/96/83/387849683.db2.gz NBGCKNMQVKTMKI-RNJOBUHISA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)[C@H]1CCC[NH2+]1 ZINC000423043127 387854870 /nfs/dbraw/zinc/85/48/70/387854870.db2.gz NIXROLVWNAJPLG-YVECIDJPSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)[C@H]1CCC[NH2+]1 ZINC000423043125 387856225 /nfs/dbraw/zinc/85/62/25/387856225.db2.gz NIXROLVWNAJPLG-WUHRBBMRSA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000423044911 387856232 /nfs/dbraw/zinc/85/62/32/387856232.db2.gz CFCRBJLKYDZIIQ-IJLUTSLNSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000423063118 387867843 /nfs/dbraw/zinc/86/78/43/387867843.db2.gz VNGLZRGTHRVOBQ-GHMZBOCLSA-N 2 1 213.369 1.186 20 0 BDADMP CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423065885 387869891 /nfs/dbraw/zinc/86/98/91/387869891.db2.gz VMMMIZPLDXKGER-FIQHERPVSA-N 2 1 226.364 1.266 20 0 BDADMP C[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460258 387874729 /nfs/dbraw/zinc/87/47/29/387874729.db2.gz GYPCXIPVHUKQHM-OUCADQQQSA-N 2 1 233.359 1.915 20 0 BDADMP COCC[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000433147154 387871633 /nfs/dbraw/zinc/87/16/33/387871633.db2.gz NRQZMTQWFSJMAN-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)C1C[NH2+]C1 ZINC000423069743 387871688 /nfs/dbraw/zinc/87/16/88/387871688.db2.gz BSKUBOJFAWAYJV-SMDDNHRTSA-N 2 1 237.391 1.201 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527974208 387814105 /nfs/dbraw/zinc/81/41/05/387814105.db2.gz MJRCHHRKJJQQIF-LOWDOPEQSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527974208 387814111 /nfs/dbraw/zinc/81/41/11/387814111.db2.gz MJRCHHRKJJQQIF-LOWDOPEQSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000422963410 387814797 /nfs/dbraw/zinc/81/47/97/387814797.db2.gz IMUQONFCXVOKCM-CHWSQXEVSA-N 3 1 227.396 1.578 20 0 BDADMP Cc1cccc(NC[C@H]2CCN(C[C@H](C)[NH3+])C2)n1 ZINC000442657252 387815023 /nfs/dbraw/zinc/81/50/23/387815023.db2.gz HFUAQLFCNKIFHC-WCQYABFASA-N 3 1 248.374 1.471 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422964324 387815008 /nfs/dbraw/zinc/81/50/08/387815008.db2.gz LISFVMBNAJVMEE-STQMWFEESA-N 2 1 227.396 1.304 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976674 387815748 /nfs/dbraw/zinc/81/57/48/387815748.db2.gz FYFDKQXKPLZQQQ-QCXCNERSSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H](CO)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422970286 387818577 /nfs/dbraw/zinc/81/85/77/387818577.db2.gz FTVWDYSWKQFQAW-AEGPPILISA-N 2 1 248.370 1.698 20 0 BDADMP CC[C@@H]([NH2+]CCc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000422969273 387818944 /nfs/dbraw/zinc/81/89/44/387818944.db2.gz ZKZVBCCIHLFCHY-OLZOCXBDSA-N 2 1 222.332 1.942 20 0 BDADMP OC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000236486381 387889655 /nfs/dbraw/zinc/88/96/55/387889655.db2.gz BYYJGGBDYQOCLF-LKSINWNRSA-N 2 1 238.375 1.364 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423115939 387898830 /nfs/dbraw/zinc/89/88/30/387898830.db2.gz ZBXBHQWHMJXBMF-RWMBFGLXSA-N 2 1 225.380 1.330 20 0 BDADMP CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@@H]1CCC[NH2+]1 ZINC000423110657 387892466 /nfs/dbraw/zinc/89/24/66/387892466.db2.gz PNNDXCNKEKEIMF-XKNYDFJKSA-N 2 1 218.291 1.760 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1c[nH+]ccc1N ZINC000423110057 387893161 /nfs/dbraw/zinc/89/31/61/387893161.db2.gz OQXFGZBKZOCAKM-HOTUBEGUSA-N 2 1 205.305 1.943 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC(C)(C)C1)C1C[NH2+]C1 ZINC000423078329 387877313 /nfs/dbraw/zinc/87/73/13/387877313.db2.gz VRTKHYZANWDMQT-LBPRGKRZSA-N 2 1 239.407 1.306 20 0 BDADMP CSC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423090148 387883809 /nfs/dbraw/zinc/88/38/09/387883809.db2.gz UOVMJOUZVWNOMD-NXEZZACHSA-N 2 1 214.378 1.470 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000423100048 387886256 /nfs/dbraw/zinc/88/62/56/387886256.db2.gz BHWFIPVPZVOSBN-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423124286 387902045 /nfs/dbraw/zinc/90/20/45/387902045.db2.gz ODFUJFNIUDAFPF-ICIURTGMSA-N 2 1 239.407 1.588 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423123856 387902242 /nfs/dbraw/zinc/90/22/42/387902242.db2.gz NOVPWLIEGXPVNJ-NWDGAFQWSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423125139 387903156 /nfs/dbraw/zinc/90/31/56/387903156.db2.gz NATLSSUWFAIDKC-IGQOVBAYSA-N 2 1 240.391 1.373 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423130711 387906645 /nfs/dbraw/zinc/90/66/45/387906645.db2.gz YRSJHVGCJQBQLX-RWMBFGLXSA-N 2 1 229.412 1.822 20 0 BDADMP CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423130711 387906648 /nfs/dbraw/zinc/90/66/48/387906648.db2.gz YRSJHVGCJQBQLX-RWMBFGLXSA-N 2 1 229.412 1.822 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000423136314 387913444 /nfs/dbraw/zinc/91/34/44/387913444.db2.gz PBIOGBVDYRKAOA-ZANVPECISA-N 2 1 235.331 1.570 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423139462 387916054 /nfs/dbraw/zinc/91/60/54/387916054.db2.gz KTNVFEDCEVRGQQ-JHJVBQTASA-N 2 1 229.412 1.822 20 0 BDADMP C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423152389 387929844 /nfs/dbraw/zinc/92/98/44/387929844.db2.gz FUQLFZCZSFDXSY-GVXVVHGQSA-N 2 1 236.363 1.081 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])o1 ZINC000423153811 387931495 /nfs/dbraw/zinc/93/14/95/387931495.db2.gz ICCSIPOWAFDEQH-ONGXEEELSA-N 2 1 223.320 1.454 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000423153809 387933079 /nfs/dbraw/zinc/93/30/79/387933079.db2.gz ICCSIPOWAFDEQH-KOLCDFICSA-N 2 1 223.320 1.454 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423153915 387933132 /nfs/dbraw/zinc/93/31/32/387933132.db2.gz OCCWJOZTNLDDNG-VWYCJHECSA-N 2 1 224.352 1.679 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423156350 387934197 /nfs/dbraw/zinc/93/41/97/387934197.db2.gz SERMPYHFQNGXQF-QJPTWQEYSA-N 2 1 236.363 1.681 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423146314 387921997 /nfs/dbraw/zinc/92/19/97/387921997.db2.gz ABVNRIWTUBVDAW-IRCOFANPSA-N 2 1 212.337 1.284 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000423150478 387927336 /nfs/dbraw/zinc/92/73/36/387927336.db2.gz ZDNOJDAWJRIZTN-AVGNSLFASA-N 2 1 228.380 1.922 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000423168339 387951710 /nfs/dbraw/zinc/95/17/10/387951710.db2.gz UKWBBGMRVCDJME-VXGBXAGGSA-N 2 1 225.380 1.330 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423168337 387952314 /nfs/dbraw/zinc/95/23/14/387952314.db2.gz UKWBBGMRVCDJME-NWDGAFQWSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000423171333 387956557 /nfs/dbraw/zinc/95/65/57/387956557.db2.gz ZVABEJWSWUQHHJ-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423168441 387954727 /nfs/dbraw/zinc/95/47/27/387954727.db2.gz HLPOMEYEHWJUAW-QWRGUYRKSA-N 2 1 237.347 1.817 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1c[nH+]ccc1N ZINC000423169883 387955518 /nfs/dbraw/zinc/95/55/18/387955518.db2.gz WUQXEOGYGKAPNF-MXWKQRLJSA-N 2 1 235.331 1.712 20 0 BDADMP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423171513 387956132 /nfs/dbraw/zinc/95/61/32/387956132.db2.gz OSWUHKDSXFUOCD-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423171513 387956138 /nfs/dbraw/zinc/95/61/38/387956138.db2.gz OSWUHKDSXFUOCD-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423171513 387956141 /nfs/dbraw/zinc/95/61/41/387956141.db2.gz OSWUHKDSXFUOCD-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162812 387946748 /nfs/dbraw/zinc/94/67/48/387946748.db2.gz QGBOLVFYZHZWJJ-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162812 387946750 /nfs/dbraw/zinc/94/67/50/387946750.db2.gz QGBOLVFYZHZWJJ-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC1(C)C)C1C[NH2+]C1 ZINC000423164743 387947901 /nfs/dbraw/zinc/94/79/01/387947901.db2.gz PBWCOYUMJNPIKR-LLVKDONJSA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCO2)C1 ZINC000245452907 387949294 /nfs/dbraw/zinc/94/92/94/387949294.db2.gz QUMBPHPURSNYRJ-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000245452907 387949297 /nfs/dbraw/zinc/94/92/97/387949297.db2.gz QUMBPHPURSNYRJ-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000245452907 387949302 /nfs/dbraw/zinc/94/93/02/387949302.db2.gz QUMBPHPURSNYRJ-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C12CCC2 ZINC000423166752 387949863 /nfs/dbraw/zinc/94/98/63/387949863.db2.gz DBJGALVKZDDSDV-QNWHQSFQSA-N 2 1 238.375 1.532 20 0 BDADMP CCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245452610 387950246 /nfs/dbraw/zinc/95/02/46/387950246.db2.gz QLYVITMIJBGUAO-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245452610 387950252 /nfs/dbraw/zinc/95/02/52/387950252.db2.gz QLYVITMIJBGUAO-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245452610 387950255 /nfs/dbraw/zinc/95/02/55/387950255.db2.gz QLYVITMIJBGUAO-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245452610 387950258 /nfs/dbraw/zinc/95/02/58/387950258.db2.gz QLYVITMIJBGUAO-NWDGAFQWSA-N 2 1 242.363 1.354 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000423166718 387950796 /nfs/dbraw/zinc/95/07/96/387950796.db2.gz VYFYYFWGQGVNBU-ZYHUDNBSSA-N 2 1 237.347 1.844 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423172101 387960109 /nfs/dbraw/zinc/96/01/09/387960109.db2.gz RIGMFXJYVXAFLC-SDDRHHMPSA-N 2 1 214.353 1.247 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cn[nH]c1 ZINC000423176091 387962290 /nfs/dbraw/zinc/96/22/90/387962290.db2.gz GABDSMDBXMGATC-SNVBAGLBSA-N 2 1 222.336 1.722 20 0 BDADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[NH3+] ZINC000423180127 387965139 /nfs/dbraw/zinc/96/51/39/387965139.db2.gz IEDJQTFLGXIJLD-SECBINFHSA-N 2 1 228.286 1.834 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000423180094 387966969 /nfs/dbraw/zinc/96/69/69/387966969.db2.gz ICHLCYOQNRDWSL-CHWSQXEVSA-N 2 1 204.317 1.871 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCOC1 ZINC000245624864 387968043 /nfs/dbraw/zinc/96/80/43/387968043.db2.gz OQRWKVHAZRFHTH-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCCOC1 ZINC000245624864 387968048 /nfs/dbraw/zinc/96/80/48/387968048.db2.gz OQRWKVHAZRFHTH-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CCCOC1 ZINC000245624864 387968053 /nfs/dbraw/zinc/96/80/53/387968053.db2.gz OQRWKVHAZRFHTH-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423185394 387970298 /nfs/dbraw/zinc/97/02/98/387970298.db2.gz JFIFRYGEGJYWTD-FRRDWIJNSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170884 387957467 /nfs/dbraw/zinc/95/74/67/387957467.db2.gz NAEWIVHUIZEIFZ-MELADBBJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170884 387957481 /nfs/dbraw/zinc/95/74/81/387957481.db2.gz NAEWIVHUIZEIFZ-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000423170884 387957484 /nfs/dbraw/zinc/95/74/84/387957484.db2.gz NAEWIVHUIZEIFZ-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000423195048 387979619 /nfs/dbraw/zinc/97/96/19/387979619.db2.gz XHXBHGXIIPLBJQ-VOAKCMCISA-N 2 1 226.364 1.125 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000423197429 387981295 /nfs/dbraw/zinc/98/12/95/387981295.db2.gz ZIIUOURQTVRHHI-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000453088523 387981425 /nfs/dbraw/zinc/98/14/25/387981425.db2.gz APOWULBQPIULKW-RYUDHWBXSA-N 2 1 230.396 1.713 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423188195 387973628 /nfs/dbraw/zinc/97/36/28/387973628.db2.gz PUHBFSVEVDIIDE-KGLIPLIRSA-N 2 1 218.344 1.946 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423188193 387974117 /nfs/dbraw/zinc/97/41/17/387974117.db2.gz PUHBFSVEVDIIDE-KBPBESRZSA-N 2 1 218.344 1.946 20 0 BDADMP CSCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869007 387975267 /nfs/dbraw/zinc/97/52/67/387975267.db2.gz NSCSCYWATGKUSD-NWDGAFQWSA-N 2 1 228.405 1.956 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C ZINC000423190986 387976402 /nfs/dbraw/zinc/97/64/02/387976402.db2.gz TXHNALKLABGQQA-ZJUUUORDSA-N 2 1 200.326 1.127 20 0 BDADMP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC[NH3+] ZINC000423192055 387977893 /nfs/dbraw/zinc/97/78/93/387977893.db2.gz VFGUMCRBKHZFRK-UHTWSYAYSA-N 2 1 204.317 1.727 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)CC[N@@H+]1C ZINC000245929918 387995806 /nfs/dbraw/zinc/99/58/06/387995806.db2.gz IBEFBALSOPUBCD-WYUUTHIRSA-N 2 1 226.364 1.218 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)CC[N@H+]1C ZINC000245929918 387995812 /nfs/dbraw/zinc/99/58/12/387995812.db2.gz IBEFBALSOPUBCD-WYUUTHIRSA-N 2 1 226.364 1.218 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC12CCC2 ZINC000453105250 387985179 /nfs/dbraw/zinc/98/51/79/387985179.db2.gz WJBMVAXGMHICLL-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP c1cnn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420405900 388000016 /nfs/dbraw/zinc/00/00/16/388000016.db2.gz UESZNRORZXTEIS-ZIAGYGMSSA-N 2 1 248.374 1.347 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCOC1 ZINC000159309437 388006694 /nfs/dbraw/zinc/00/66/94/388006694.db2.gz ONURMIPVRWTSMF-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000453200974 388007990 /nfs/dbraw/zinc/00/79/90/388007990.db2.gz RRKUJISONNAXOX-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000453200974 388007993 /nfs/dbraw/zinc/00/79/93/388007993.db2.gz RRKUJISONNAXOX-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cn1 ZINC000423229116 388015068 /nfs/dbraw/zinc/01/50/68/388015068.db2.gz AIKJPQUFMVVXMF-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000423230242 388015178 /nfs/dbraw/zinc/01/51/78/388015178.db2.gz DBHBNYVGYAHZPP-CYBMUJFWSA-N 2 1 235.375 1.992 20 0 BDADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[C@H]21 ZINC000423229545 388015692 /nfs/dbraw/zinc/01/56/92/388015692.db2.gz BLDZYQWTPAHNLR-XDQVBPFNSA-N 2 1 237.391 1.201 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423231191 388016382 /nfs/dbraw/zinc/01/63/82/388016382.db2.gz GCBXQTPZLFXCPW-BFHYXJOUSA-N 2 1 240.391 1.781 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)C1CCSCC1 ZINC000423248459 388032241 /nfs/dbraw/zinc/03/22/41/388032241.db2.gz QNXSOEBWGWOJKH-VIFPVBQESA-N 2 1 202.367 1.327 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1COCC ZINC000423249845 388032250 /nfs/dbraw/zinc/03/22/50/388032250.db2.gz SOKKUEOFNYBSAY-NWDGAFQWSA-N 2 1 214.353 1.391 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423250869 388033253 /nfs/dbraw/zinc/03/32/53/388033253.db2.gz UVSFKDIZQGBNQT-MNOVXSKESA-N 2 1 200.326 1.001 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000423253757 388034815 /nfs/dbraw/zinc/03/48/15/388034815.db2.gz ZRLPLRVQBCXGIR-QWHCGFSZSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cn[nH]c1 ZINC000423260361 388038874 /nfs/dbraw/zinc/03/88/74/388038874.db2.gz HDIRWDAHXODXFZ-ZWNOBZJWSA-N 2 1 236.363 1.968 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000423261537 388040999 /nfs/dbraw/zinc/04/09/99/388040999.db2.gz KBDTULPGRPBCFX-QJPTWQEYSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000423264683 388041493 /nfs/dbraw/zinc/04/14/93/388041493.db2.gz QATKILUAOQTYHO-IRCOFANPSA-N 2 1 214.353 1.515 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423264263 388041710 /nfs/dbraw/zinc/04/17/10/388041710.db2.gz PRTNANDUMCWNTP-BZPMIXESSA-N 2 1 239.407 1.432 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423263792 388041801 /nfs/dbraw/zinc/04/18/01/388041801.db2.gz OWUSJFLWINODMN-NQBHXWOUSA-N 2 1 228.380 1.907 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423263793 388041969 /nfs/dbraw/zinc/04/19/69/388041969.db2.gz OWUSJFLWINODMN-WZRBSPASSA-N 2 1 228.380 1.907 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423244982 388028380 /nfs/dbraw/zinc/02/83/80/388028380.db2.gz IGTDZHKWGXYCCX-SYQHCUMBSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423244982 388028385 /nfs/dbraw/zinc/02/83/85/388028385.db2.gz IGTDZHKWGXYCCX-SYQHCUMBSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423246584 388030710 /nfs/dbraw/zinc/03/07/10/388030710.db2.gz NZXRWDFDARJOPK-YNEHKIRRSA-N 2 1 226.364 1.391 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@@H]2CCC[C@H]21 ZINC000453278692 388031467 /nfs/dbraw/zinc/03/14/67/388031467.db2.gz HZNYEXNYTPONCJ-ZOBORPQBSA-N 2 1 238.375 1.628 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000083421777 388051327 /nfs/dbraw/zinc/05/13/27/388051327.db2.gz UJGQEAFLMIVLKR-UONOGXRCSA-N 2 1 248.374 1.619 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000083421777 388051332 /nfs/dbraw/zinc/05/13/32/388051332.db2.gz UJGQEAFLMIVLKR-UONOGXRCSA-N 2 1 248.374 1.619 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000423272522 388051739 /nfs/dbraw/zinc/05/17/39/388051739.db2.gz ZAPXQQUABKEOMZ-TUAOUCFPSA-N 2 1 214.353 1.517 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423325170 388053749 /nfs/dbraw/zinc/05/37/49/388053749.db2.gz LDPHBXKWZKCFSF-NSHDSACASA-N 2 1 219.332 1.922 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423274696 388055620 /nfs/dbraw/zinc/05/56/20/388055620.db2.gz KUEURNKSHIPLRJ-YFKTTZPYSA-N 3 1 213.369 1.219 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423274771 388055700 /nfs/dbraw/zinc/05/57/00/388055700.db2.gz MJOGDHRIKCLNJK-NEPJUHHUSA-N 2 1 236.363 1.370 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453380750 388065936 /nfs/dbraw/zinc/06/59/36/388065936.db2.gz RFFNKVPHQKLESH-IGQOVBAYSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccncc1 ZINC000423285502 388069330 /nfs/dbraw/zinc/06/93/30/388069330.db2.gz YIYBDVVMZQWEAW-OLZOCXBDSA-N 2 1 219.332 1.860 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453397111 388070907 /nfs/dbraw/zinc/07/09/07/388070907.db2.gz ZBQAVAXCPQCMDF-ZDEQEGDKSA-N 2 1 226.364 1.077 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000423288444 388073562 /nfs/dbraw/zinc/07/35/62/388073562.db2.gz SBSNGEIMLBPYAI-QWRGUYRKSA-N 2 1 213.369 1.044 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000423288444 388073566 /nfs/dbraw/zinc/07/35/66/388073566.db2.gz SBSNGEIMLBPYAI-QWRGUYRKSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423289479 388074271 /nfs/dbraw/zinc/07/42/71/388074271.db2.gz BBOTUQGKDZQYGI-BPNCWPANSA-N 3 1 233.359 1.676 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000423296914 388078852 /nfs/dbraw/zinc/07/88/52/388078852.db2.gz HZGCTDYYNIRYTM-WDEREUQCSA-N 2 1 241.379 1.151 20 0 BDADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453604719 388091513 /nfs/dbraw/zinc/09/15/13/388091513.db2.gz RNKGPDDBULQVQO-UHFFFAOYSA-N 2 1 236.363 1.384 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cn1 ZINC000447821483 388095237 /nfs/dbraw/zinc/09/52/37/388095237.db2.gz LSKNEFRLWDYXLT-CYBMUJFWSA-N 2 1 248.374 1.805 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)cn1 ZINC000447821483 388095240 /nfs/dbraw/zinc/09/52/40/388095240.db2.gz LSKNEFRLWDYXLT-CYBMUJFWSA-N 2 1 248.374 1.805 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336661004 388097535 /nfs/dbraw/zinc/09/75/35/388097535.db2.gz JUZBFSBHQPIGHQ-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336661004 388097539 /nfs/dbraw/zinc/09/75/39/388097539.db2.gz JUZBFSBHQPIGHQ-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423269133 388047419 /nfs/dbraw/zinc/04/74/19/388047419.db2.gz GREAMFRDGUILDQ-SDDRHHMPSA-N 2 1 225.380 1.057 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423269133 388047422 /nfs/dbraw/zinc/04/74/22/388047422.db2.gz GREAMFRDGUILDQ-SDDRHHMPSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H](NCC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423272307 388050711 /nfs/dbraw/zinc/05/07/11/388050711.db2.gz JUOMCJIJPVSXPK-JHJVBQTASA-N 2 1 225.380 1.106 20 0 BDADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+](CC)CCC ZINC000449142050 388147658 /nfs/dbraw/zinc/14/76/58/388147658.db2.gz MWLPUMDHTXHIMC-GFCCVEGCSA-N 2 1 243.395 1.223 20 0 BDADMP CCc1cc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc[nH+]1 ZINC000450437963 388256009 /nfs/dbraw/zinc/25/60/09/388256009.db2.gz LRWVUDYWTYHLBA-SMDDNHRTSA-N 2 1 233.359 1.961 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488744832 388192859 /nfs/dbraw/zinc/19/28/59/388192859.db2.gz CUMMGRMFUYBPCT-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488744832 388192861 /nfs/dbraw/zinc/19/28/61/388192861.db2.gz CUMMGRMFUYBPCT-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000449551152 388230972 /nfs/dbraw/zinc/23/09/72/388230972.db2.gz FHQATQXOHMYQGT-AAEUAGOBSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000449558158 388231029 /nfs/dbraw/zinc/23/10/29/388231029.db2.gz WCDHLTYOIBGRKE-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP COc1cccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000234870124 388362151 /nfs/dbraw/zinc/36/21/51/388362151.db2.gz DYKXDJFOQKTGHU-VHSXEESVSA-N 2 1 208.305 1.693 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC[N@H+]1C ZINC000163719339 388366570 /nfs/dbraw/zinc/36/65/70/388366570.db2.gz HIAMMBXPBMBMSD-VXGBXAGGSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](CCC(F)(F)F)C1 ZINC000235745987 388375554 /nfs/dbraw/zinc/37/55/54/388375554.db2.gz SWYQGPLUPOMEAJ-MRVPVSSYSA-N 2 1 210.243 1.610 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(F)(F)F)C1 ZINC000235745987 388375558 /nfs/dbraw/zinc/37/55/58/388375558.db2.gz SWYQGPLUPOMEAJ-MRVPVSSYSA-N 2 1 210.243 1.610 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000516605642 388386124 /nfs/dbraw/zinc/38/61/24/388386124.db2.gz OCQQGRMSXLJXLU-BFHYXJOUSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000516605642 388386127 /nfs/dbraw/zinc/38/61/27/388386127.db2.gz OCQQGRMSXLJXLU-BFHYXJOUSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000516605642 388386129 /nfs/dbraw/zinc/38/61/29/388386129.db2.gz OCQQGRMSXLJXLU-BFHYXJOUSA-N 2 1 241.423 1.647 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403226979 388402813 /nfs/dbraw/zinc/40/28/13/388402813.db2.gz XDXZIGVZCFBHKB-UPJWGTAASA-N 2 1 226.364 1.330 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)CN(C)C ZINC000308632513 388446384 /nfs/dbraw/zinc/44/63/84/388446384.db2.gz QJLAGMJOBUBFOT-UHFFFAOYSA-N 2 1 224.352 1.121 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000397352821 388463216 /nfs/dbraw/zinc/46/32/16/388463216.db2.gz DCRHRIXNHKQUBQ-AGIUHOORSA-N 2 1 236.363 1.188 20 0 BDADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000322491557 388436420 /nfs/dbraw/zinc/43/64/20/388436420.db2.gz CFGBNIWWMXILIK-RWMBFGLXSA-N 2 1 228.380 1.874 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccccc1C ZINC000517159747 388539460 /nfs/dbraw/zinc/53/94/60/388539460.db2.gz XFWFPQMEIGYFNS-CQSZACIVSA-N 2 1 236.359 1.397 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccccc1C ZINC000517159747 388539464 /nfs/dbraw/zinc/53/94/64/388539464.db2.gz XFWFPQMEIGYFNS-CQSZACIVSA-N 2 1 236.359 1.397 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000649287336 388543389 /nfs/dbraw/zinc/54/33/89/388543389.db2.gz SHCMWTYJARNSCJ-CHWSQXEVSA-N 2 1 237.347 1.681 20 0 BDADMP C[C@@H]([NH2+]CC1=CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000397613141 388484243 /nfs/dbraw/zinc/48/42/43/388484243.db2.gz CYEBCWBUFXAFOX-YPMHNXCESA-N 2 1 224.348 1.453 20 0 BDADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000340463449 388491160 /nfs/dbraw/zinc/49/11/60/388491160.db2.gz QMYPWEVSDIGQRO-DCAQKATOSA-N 2 1 202.317 1.664 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000340490011 388491290 /nfs/dbraw/zinc/49/12/90/388491290.db2.gz TWAAIWXRGDHOLC-HZSPNIEDSA-N 2 1 238.375 1.628 20 0 BDADMP CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)COC1 ZINC000343634799 388502340 /nfs/dbraw/zinc/50/23/40/388502340.db2.gz VEGNQODASSVAHV-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000378839680 388520198 /nfs/dbraw/zinc/52/01/98/388520198.db2.gz XGRVIBGERRLKSU-MGPQQGTHSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000378839680 388520201 /nfs/dbraw/zinc/52/02/01/388520201.db2.gz XGRVIBGERRLKSU-MGPQQGTHSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@@H]([NH3+])C2CCC2)n1 ZINC000517029323 388533656 /nfs/dbraw/zinc/53/36/56/388533656.db2.gz HXXMDXWDWNYVLQ-XVKPBYJWSA-N 2 1 224.308 1.020 20 0 BDADMP CCOCC(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000379193989 388596491 /nfs/dbraw/zinc/59/64/91/388596491.db2.gz ZRMRANMGUXQEMO-GFCCVEGCSA-N 2 1 246.395 1.092 20 0 BDADMP CCOCC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000379193989 388596492 /nfs/dbraw/zinc/59/64/92/388596492.db2.gz ZRMRANMGUXQEMO-GFCCVEGCSA-N 2 1 246.395 1.092 20 0 BDADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358248877 388554807 /nfs/dbraw/zinc/55/48/07/388554807.db2.gz IHSABZUOUVPOPD-UKRRQHHQSA-N 2 1 247.386 1.862 20 0 BDADMP CO[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000362978414 388563188 /nfs/dbraw/zinc/56/31/88/388563188.db2.gz ZYNOOQBEYAABSP-CQSZACIVSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252714351 388574687 /nfs/dbraw/zinc/57/46/87/388574687.db2.gz RTSHKKDBNHYXKO-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCO)C1 ZINC000081572814 388584262 /nfs/dbraw/zinc/58/42/62/388584262.db2.gz WEVHZMRQAAKIKG-LBPRGKRZSA-N 2 1 214.353 1.033 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC=C(COC)CC1 ZINC000191840183 388671573 /nfs/dbraw/zinc/67/15/73/388671573.db2.gz HVIUQEPNFZVRMP-UHFFFAOYSA-N 2 1 240.391 1.997 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC=C(COC)CC1 ZINC000191840183 388671576 /nfs/dbraw/zinc/67/15/76/388671576.db2.gz HVIUQEPNFZVRMP-UHFFFAOYSA-N 2 1 240.391 1.997 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)CC[N@H+]1C ZINC000247981302 388671752 /nfs/dbraw/zinc/67/17/52/388671752.db2.gz IJRAFNAJZQNJDI-XJFOESAGSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530218174 388629965 /nfs/dbraw/zinc/62/99/65/388629965.db2.gz IAGCCCUMSMEUFG-UPJWGTAASA-N 2 1 237.391 1.201 20 0 BDADMP Cn1cc2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2n1 ZINC000530217126 388630726 /nfs/dbraw/zinc/63/07/26/388630726.db2.gz FWEVMKVSBCNCNM-STQMWFEESA-N 2 1 244.342 1.543 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@H](C)O1 ZINC000530218502 388631317 /nfs/dbraw/zinc/63/13/17/388631317.db2.gz WNQFAYDPVZPRDP-NOOOWODRSA-N 2 1 224.348 1.427 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@@H](C)O1 ZINC000530218506 388632197 /nfs/dbraw/zinc/63/21/97/388632197.db2.gz WNQFAYDPVZPRDP-WISYIIOYSA-N 2 1 224.348 1.427 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530224213 388634333 /nfs/dbraw/zinc/63/43/33/388634333.db2.gz VMAYWVMZGQEPOK-MXWKQRLJSA-N 2 1 212.337 1.284 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC000189508426 388636067 /nfs/dbraw/zinc/63/60/67/388636067.db2.gz VBVHIQYDJUAVFV-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189508426 388636068 /nfs/dbraw/zinc/63/60/68/388636068.db2.gz VBVHIQYDJUAVFV-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189508426 388636069 /nfs/dbraw/zinc/63/60/69/388636069.db2.gz VBVHIQYDJUAVFV-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccncc1 ZINC000530244507 388639070 /nfs/dbraw/zinc/63/90/70/388639070.db2.gz MAETXEIGKGDSJZ-AAEUAGOBSA-N 2 1 219.332 1.527 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000251289302 388643123 /nfs/dbraw/zinc/64/31/23/388643123.db2.gz NMLNSYMOHIXTPH-SGMGOOAPSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000251289302 388643127 /nfs/dbraw/zinc/64/31/27/388643127.db2.gz NMLNSYMOHIXTPH-SGMGOOAPSA-N 2 1 237.391 1.330 20 0 BDADMP CC[C@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251641616 388647810 /nfs/dbraw/zinc/64/78/10/388647810.db2.gz FZLHEQWEBGRSAA-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223287006 388649067 /nfs/dbraw/zinc/64/90/67/388649067.db2.gz KTRHFMIGESMPFM-XQQFMLRXSA-N 2 1 230.396 1.713 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000246831557 388652850 /nfs/dbraw/zinc/65/28/50/388652850.db2.gz BREAZFHGKSCXPY-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCO)[C@H](C)C1 ZINC000246944882 388655387 /nfs/dbraw/zinc/65/53/87/388655387.db2.gz HCNHUGKKHGTDTL-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985087 388656515 /nfs/dbraw/zinc/65/65/15/388656515.db2.gz JUFHUZQYTQMTHF-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985087 388656518 /nfs/dbraw/zinc/65/65/18/388656518.db2.gz JUFHUZQYTQMTHF-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985087 388656521 /nfs/dbraw/zinc/65/65/21/388656521.db2.gz JUFHUZQYTQMTHF-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000247088506 388659057 /nfs/dbraw/zinc/65/90/57/388659057.db2.gz RKOFEVNHNWYZGE-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000247088506 388659059 /nfs/dbraw/zinc/65/90/59/388659059.db2.gz RKOFEVNHNWYZGE-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223887399 388659335 /nfs/dbraw/zinc/65/93/35/388659335.db2.gz BIXZCCIVSOGIAA-NNYUYHANSA-N 2 1 246.420 1.029 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223887399 388659337 /nfs/dbraw/zinc/65/93/37/388659337.db2.gz BIXZCCIVSOGIAA-NNYUYHANSA-N 2 1 246.420 1.029 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@@H](C)C1 ZINC000247144061 388659575 /nfs/dbraw/zinc/65/95/75/388659575.db2.gz RBHQNCPZKRRJDY-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224330347 388662590 /nfs/dbraw/zinc/66/25/90/388662590.db2.gz GPBHNMJSLRAQOT-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247391352 388662976 /nfs/dbraw/zinc/66/29/76/388662976.db2.gz VXDYQOGBMBFZCG-SDDRHHMPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247391352 388662979 /nfs/dbraw/zinc/66/29/79/388662979.db2.gz VXDYQOGBMBFZCG-SDDRHHMPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247391352 388662981 /nfs/dbraw/zinc/66/29/81/388662981.db2.gz VXDYQOGBMBFZCG-SDDRHHMPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247391352 388662984 /nfs/dbraw/zinc/66/29/84/388662984.db2.gz VXDYQOGBMBFZCG-SDDRHHMPSA-N 2 1 214.353 1.172 20 0 BDADMP COC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000227493202 388752184 /nfs/dbraw/zinc/75/21/84/388752184.db2.gz DRMIWBRHKDNQHF-RWMBFGLXSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000090965564 388754134 /nfs/dbraw/zinc/75/41/34/388754134.db2.gz HPVLXPMJFBIIFM-FMCLSXCISA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000090965564 388754138 /nfs/dbraw/zinc/75/41/38/388754138.db2.gz HPVLXPMJFBIIFM-FMCLSXCISA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1C ZINC000251795824 388754191 /nfs/dbraw/zinc/75/41/91/388754191.db2.gz MBPUVDPJNCNBIO-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@H]1C ZINC000251795824 388754194 /nfs/dbraw/zinc/75/41/94/388754194.db2.gz MBPUVDPJNCNBIO-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@H]1C ZINC000251795824 388754197 /nfs/dbraw/zinc/75/41/97/388754197.db2.gz MBPUVDPJNCNBIO-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000248988743 388703711 /nfs/dbraw/zinc/70/37/11/388703711.db2.gz FMKXEJQQRWZMNJ-XDQVBPFNSA-N 2 1 238.375 1.770 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)OC)[C@@H](C)C1 ZINC000249088223 388707911 /nfs/dbraw/zinc/70/79/11/388707911.db2.gz MVYMPXPVNGPWEO-TUAOUCFPSA-N 2 1 214.353 1.341 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249114648 388709634 /nfs/dbraw/zinc/70/96/34/388709634.db2.gz RULXVBHCVZSNAI-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326932 388716265 /nfs/dbraw/zinc/71/62/65/388716265.db2.gz NTCGGVFHTUSYOR-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249387308 388719823 /nfs/dbraw/zinc/71/98/23/388719823.db2.gz QEDCZNFWWCYMOQ-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[NH+](C)CC1 ZINC000552558425 388725076 /nfs/dbraw/zinc/72/50/76/388725076.db2.gz BKCIYVFFUUPVBO-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@H+](C)CC1 ZINC000552558425 388725079 /nfs/dbraw/zinc/72/50/79/388725079.db2.gz BKCIYVFFUUPVBO-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@@H+](C)CC1 ZINC000552558425 388725080 /nfs/dbraw/zinc/72/50/80/388725080.db2.gz BKCIYVFFUUPVBO-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000252937909 388793405 /nfs/dbraw/zinc/79/34/05/388793405.db2.gz HFMARUPKSYSHEC-MJBXVCDLSA-N 2 1 240.391 1.731 20 0 BDADMP CSCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674016 388770505 /nfs/dbraw/zinc/77/05/05/388770505.db2.gz NSCSCYWATGKUSD-RYUDHWBXSA-N 2 1 228.405 1.956 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccco1 ZINC000252713892 388775311 /nfs/dbraw/zinc/77/53/11/388775311.db2.gz QLHHBHRJUQJNRZ-DGCLKSJQSA-N 2 1 222.332 1.752 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129644249 388859648 /nfs/dbraw/zinc/85/96/48/388859648.db2.gz GJGFFLYMULFCIK-STQMWFEESA-N 2 1 228.380 1.874 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000069890420 388870361 /nfs/dbraw/zinc/87/03/61/388870361.db2.gz NOVIOXLJPNQALI-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000153360833 388967297 /nfs/dbraw/zinc/96/72/97/388967297.db2.gz WYHFLRGKIWMARJ-NEPJUHHUSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)c1ccncc1)C[NH+](C)C ZINC000293637317 389013287 /nfs/dbraw/zinc/01/32/87/389013287.db2.gz KPNCXOSCIANZHQ-NEPJUHHUSA-N 2 1 221.348 1.930 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257739682 533377661 /nfs/dbraw/zinc/37/76/61/533377661.db2.gz YQQCCEWKYYBERD-CHWSQXEVSA-N 2 1 240.416 1.815 20 0 BDADMP C[C@@H]([NH2+]CCc1ccncc1)[C@H]1CCC[NH2+]1 ZINC000400404443 533404813 /nfs/dbraw/zinc/40/48/13/533404813.db2.gz QVXSHOXMDQBJBJ-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP Cc1cc(N2CCC[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000044531639 132224855 /nfs/dbraw/zinc/22/48/55/132224855.db2.gz OTKFBBNPVHYOLB-NSHDSACASA-N 2 1 220.320 1.269 20 0 BDADMP [NH3+]C1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000045948340 132298883 /nfs/dbraw/zinc/29/88/83/132298883.db2.gz CPQOFFBDFDFRQT-UHFFFAOYSA-N 2 1 247.346 1.004 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)[C@@H](C)C[N@H+]1C ZINC000351925672 134007396 /nfs/dbraw/zinc/00/73/96/134007396.db2.gz FHQYIAVJIWIBDQ-RDBSUJKOSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C[NH+]1C ZINC000351925672 134007397 /nfs/dbraw/zinc/00/73/97/134007397.db2.gz FHQYIAVJIWIBDQ-RDBSUJKOSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C[NH+]1C ZINC000351925672 134007398 /nfs/dbraw/zinc/00/73/98/134007398.db2.gz FHQYIAVJIWIBDQ-RDBSUJKOSA-N 2 1 239.407 1.495 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336022275 134055848 /nfs/dbraw/zinc/05/58/48/134055848.db2.gz JYIJRXUYCVDQQZ-VXGBXAGGSA-N 2 1 249.358 1.587 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336022275 134055849 /nfs/dbraw/zinc/05/58/49/134055849.db2.gz JYIJRXUYCVDQQZ-VXGBXAGGSA-N 2 1 249.358 1.587 20 0 BDADMP c1c[nH]c([C@@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000336056533 134066756 /nfs/dbraw/zinc/06/67/56/134066756.db2.gz UXJBJQKTWHJDRU-ZDUSSCGKSA-N 2 1 248.374 1.936 20 0 BDADMP Fc1ccc(/C=C/C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336080174 134075231 /nfs/dbraw/zinc/07/52/31/134075231.db2.gz WFTBXAJKRANUFW-CZMZKRSCSA-N 2 1 246.329 1.990 20 0 BDADMP Fc1ccc(/C=C/C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336080174 134075232 /nfs/dbraw/zinc/07/52/32/134075232.db2.gz WFTBXAJKRANUFW-CZMZKRSCSA-N 2 1 246.329 1.990 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336158637 134106626 /nfs/dbraw/zinc/10/66/26/134106626.db2.gz IHTCSNPKXRIEML-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336158637 134106627 /nfs/dbraw/zinc/10/66/27/134106627.db2.gz IHTCSNPKXRIEML-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336158637 134106628 /nfs/dbraw/zinc/10/66/28/134106628.db2.gz IHTCSNPKXRIEML-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP C1CC[NH+]([C@H]2CCC[N@H+]([C@H]3CCOC3)CC2)C1 ZINC000336180246 134119197 /nfs/dbraw/zinc/11/91/97/134119197.db2.gz SVPIVVNHEDKYAQ-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C1CC[NH+]([C@@H]2CCC[N@H+]([C@@H]3CCOC3)CC2)C1 ZINC000336180249 134119251 /nfs/dbraw/zinc/11/92/51/134119251.db2.gz SVPIVVNHEDKYAQ-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP c1cnn([C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000368282182 134217946 /nfs/dbraw/zinc/21/79/46/134217946.db2.gz QPLFTMHVIONZOX-CQSZACIVSA-N 2 1 248.374 1.616 20 0 BDADMP c1cnn([C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000368282182 134217947 /nfs/dbraw/zinc/21/79/47/134217947.db2.gz QPLFTMHVIONZOX-CQSZACIVSA-N 2 1 248.374 1.616 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000217415707 134247112 /nfs/dbraw/zinc/24/71/12/134247112.db2.gz BNPHKHRKYREHFA-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP CCN(CC[NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000217415707 134247113 /nfs/dbraw/zinc/24/71/13/134247113.db2.gz BNPHKHRKYREHFA-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169249167 134250093 /nfs/dbraw/zinc/25/00/93/134250093.db2.gz GJCKZKZVNWSPTN-JIMOISOXSA-N 2 1 220.316 1.492 20 0 BDADMP C[C@H]1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282117 134274825 /nfs/dbraw/zinc/27/48/25/134274825.db2.gz USOUBFKDIALJKA-RFQIPJPRSA-N 2 1 222.376 1.964 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1c(F)cccc1F ZINC000220507030 134309243 /nfs/dbraw/zinc/30/92/43/134309243.db2.gz DBGZWUBTBWRQFO-QMMMGPOBSA-N 2 1 214.259 1.792 20 0 BDADMP C[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H]1C ZINC000178724446 134310625 /nfs/dbraw/zinc/31/06/25/134310625.db2.gz WCOXGXSWBAPZRY-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CC[NH2+]CC2)C1 ZINC000178982228 134313997 /nfs/dbraw/zinc/31/39/97/134313997.db2.gz ZSQJRAWLMDALAN-AWEZNQCLSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178982228 134313998 /nfs/dbraw/zinc/31/39/98/134313998.db2.gz ZSQJRAWLMDALAN-AWEZNQCLSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178982228 134313999 /nfs/dbraw/zinc/31/39/99/134313999.db2.gz ZSQJRAWLMDALAN-AWEZNQCLSA-N 3 1 239.407 1.260 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178972759 134314012 /nfs/dbraw/zinc/31/40/12/134314012.db2.gz MGNHTAIIFIKDKM-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178981474 134314069 /nfs/dbraw/zinc/31/40/69/134314069.db2.gz IGDAOGJOSUUXPI-AWEZNQCLSA-N 2 1 248.374 1.936 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCO)[C@@H](C)C1 ZINC000223754644 134339258 /nfs/dbraw/zinc/33/92/58/134339258.db2.gz AXHAZJCMCNBXRN-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](c1cccc(O)c1)[N@@H+](C)CCC[NH3+] ZINC000227744555 134392002 /nfs/dbraw/zinc/39/20/02/134392002.db2.gz QQKMIRZSHGSKEE-SNVBAGLBSA-N 2 1 208.305 1.734 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCCCC1 ZINC000150296113 134452879 /nfs/dbraw/zinc/45/28/79/134452879.db2.gz GVKXLSJPTRUKLX-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248450020 135010278 /nfs/dbraw/zinc/01/02/78/135010278.db2.gz XVOSWJNALVZZBV-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248841427 135022818 /nfs/dbraw/zinc/02/28/18/135022818.db2.gz NZQAICPEASKCPZ-LOWDOPEQSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249055879 135030898 /nfs/dbraw/zinc/03/08/98/135030898.db2.gz YQAAZWZEBVJQNX-APYLGABCSA-N 2 1 238.375 1.769 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000250111003 135049450 /nfs/dbraw/zinc/04/94/50/135049450.db2.gz KWFUEKYMXSIHIN-VXGBXAGGSA-N 2 1 236.363 1.413 20 0 BDADMP c1cnn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250159141 135050700 /nfs/dbraw/zinc/05/07/00/135050700.db2.gz GDALCKUHQHPTJD-OLZOCXBDSA-N 2 1 234.347 1.100 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250229512 135050777 /nfs/dbraw/zinc/05/07/77/135050777.db2.gz FYNYSHHEZMSPSP-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c[nH]1 ZINC000250789448 135058974 /nfs/dbraw/zinc/05/89/74/135058974.db2.gz POERNKBEYIUTOD-STQMWFEESA-N 2 1 219.332 1.731 20 0 BDADMP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000251413593 135068660 /nfs/dbraw/zinc/06/86/60/135068660.db2.gz OJQAHQHCXQZMPK-MJBXVCDLSA-N 2 1 241.423 1.680 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000251762382 135076141 /nfs/dbraw/zinc/07/61/41/135076141.db2.gz KGRROGCMFNPWFZ-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251736848 135076609 /nfs/dbraw/zinc/07/66/09/135076609.db2.gz CPUNHUFRAFTJEP-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP CC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000251786754 135077622 /nfs/dbraw/zinc/07/76/22/135077622.db2.gz JMWZVKUDQLJDQP-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@H](C)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000251786754 135077624 /nfs/dbraw/zinc/07/76/24/135077624.db2.gz JMWZVKUDQLJDQP-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCCO1 ZINC000251942351 135081464 /nfs/dbraw/zinc/08/14/64/135081464.db2.gz ZSCGDHLMPDFEAZ-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000086435882 135084074 /nfs/dbraw/zinc/08/40/74/135084074.db2.gz FYNNBBDYPQHRAH-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000086435888 135084102 /nfs/dbraw/zinc/08/41/02/135084102.db2.gz LHGKOMWKWQKSLJ-VIFPVBQESA-N 2 1 240.269 1.236 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])Cc1cccs1 ZINC000086435493 135084667 /nfs/dbraw/zinc/08/46/67/135084667.db2.gz JEXPSNPPJWQMSG-UHFFFAOYSA-N 2 1 228.361 1.545 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H]1CCSC1 ZINC000252433319 135088647 /nfs/dbraw/zinc/08/86/47/135088647.db2.gz CAXPRGPKDNJDJH-QWRGUYRKSA-N 2 1 216.394 1.797 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCSC1 ZINC000252433319 135088650 /nfs/dbraw/zinc/08/86/50/135088650.db2.gz CAXPRGPKDNJDJH-QWRGUYRKSA-N 2 1 216.394 1.797 20 0 BDADMP C[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000252458295 135089977 /nfs/dbraw/zinc/08/99/77/135089977.db2.gz XMVYJXFRDBCHPA-FVCCEPFGSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)C ZINC000252458295 135089978 /nfs/dbraw/zinc/08/99/78/135089978.db2.gz XMVYJXFRDBCHPA-FVCCEPFGSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)C ZINC000252458295 135089979 /nfs/dbraw/zinc/08/99/79/135089979.db2.gz XMVYJXFRDBCHPA-FVCCEPFGSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000252450137 135089995 /nfs/dbraw/zinc/08/99/95/135089995.db2.gz DLVHGFPLVJLPRA-LPWJVIDDSA-N 2 1 226.364 1.341 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673428 135095560 /nfs/dbraw/zinc/09/55/60/135095560.db2.gz IXHHFCDZORYJGS-OLZOCXBDSA-N 2 1 234.347 1.435 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673428 135095563 /nfs/dbraw/zinc/09/55/63/135095563.db2.gz IXHHFCDZORYJGS-OLZOCXBDSA-N 2 1 234.347 1.435 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000252712383 135100129 /nfs/dbraw/zinc/10/01/29/135100129.db2.gz MHTDNIYVGZITHB-RFGFWPKPSA-N 3 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000252712383 135100134 /nfs/dbraw/zinc/10/01/34/135100134.db2.gz MHTDNIYVGZITHB-RFGFWPKPSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCOCC1 ZINC000252713701 135100314 /nfs/dbraw/zinc/10/03/14/135100314.db2.gz PZGOPBRVWUOTJM-ZYHUDNBSSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCOCC1 ZINC000252713701 135100316 /nfs/dbraw/zinc/10/03/16/135100316.db2.gz PZGOPBRVWUOTJM-ZYHUDNBSSA-N 2 1 212.337 1.095 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252716199 135101689 /nfs/dbraw/zinc/10/16/89/135101689.db2.gz XWVWYXCDNRVOEB-IJLUTSLNSA-N 2 1 214.353 1.199 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000252731463 135104863 /nfs/dbraw/zinc/10/48/63/135104863.db2.gz PZWNGVYVTPOUAK-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000252731463 135104864 /nfs/dbraw/zinc/10/48/64/135104864.db2.gz PZWNGVYVTPOUAK-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000252770672 135108937 /nfs/dbraw/zinc/10/89/37/135108937.db2.gz IBKCHMYWLIVBQT-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252876683 135115551 /nfs/dbraw/zinc/11/55/51/135115551.db2.gz WHVLSIFCVYFHJM-CYDGBPFRSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000252894785 135116252 /nfs/dbraw/zinc/11/62/52/135116252.db2.gz WQPQEPRSWCXCIP-SMDDNHRTSA-N 2 1 234.343 1.822 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000252894785 135116253 /nfs/dbraw/zinc/11/62/53/135116253.db2.gz WQPQEPRSWCXCIP-SMDDNHRTSA-N 2 1 234.343 1.822 20 0 BDADMP CCSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252911227 135116286 /nfs/dbraw/zinc/11/62/86/135116286.db2.gz GMZFJCFKEPLYBU-NEPJUHHUSA-N 2 1 228.405 1.956 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccn1C ZINC000252892614 135116400 /nfs/dbraw/zinc/11/64/00/135116400.db2.gz OENZSRLYDCWJIW-WCQYABFASA-N 2 1 221.348 1.455 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccn1C ZINC000252892614 135116401 /nfs/dbraw/zinc/11/64/01/135116401.db2.gz OENZSRLYDCWJIW-WCQYABFASA-N 2 1 221.348 1.455 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOC(F)(F)F ZINC000253336048 135126359 /nfs/dbraw/zinc/12/63/59/135126359.db2.gz YDXQNUHJVIDENL-RKDXNWHRSA-N 2 1 240.269 1.453 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000257700254 135140075 /nfs/dbraw/zinc/14/00/75/135140075.db2.gz PXXZEZJHGHOKHB-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000257700254 135140076 /nfs/dbraw/zinc/14/00/76/135140076.db2.gz PXXZEZJHGHOKHB-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257722411 135140694 /nfs/dbraw/zinc/14/06/94/135140694.db2.gz PVESBVQJULQOST-GXTWGEPZSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257722411 135140695 /nfs/dbraw/zinc/14/06/95/135140695.db2.gz PVESBVQJULQOST-GXTWGEPZSA-N 2 1 231.343 1.828 20 0 BDADMP COc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000261533602 135164995 /nfs/dbraw/zinc/16/49/95/135164995.db2.gz LCFYKKOKHGZLGK-VHSXEESVSA-N 2 1 208.305 1.521 20 0 BDADMP COCC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261533956 135166052 /nfs/dbraw/zinc/16/60/52/135166052.db2.gz MBAKWNSZSLGKAI-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](C)C2)CC[NH2+]1 ZINC000261534359 135166698 /nfs/dbraw/zinc/16/66/98/135166698.db2.gz MCHVJSQFGCFSFL-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000261537409 135173747 /nfs/dbraw/zinc/17/37/47/135173747.db2.gz VMNIITUBYNURSD-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@@H]1C[C@@H](CN2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000261540667 135180476 /nfs/dbraw/zinc/18/04/76/135180476.db2.gz GZPYEVHOCPTPKL-RDBSUJKOSA-N 2 1 237.391 1.155 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261541019 135181218 /nfs/dbraw/zinc/18/12/18/135181218.db2.gz IPJYECXBWVABDI-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP CN(C[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000261542497 135183119 /nfs/dbraw/zinc/18/31/19/135183119.db2.gz OVOSWJOJOOLFKC-JSGCOSHPSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H](C)OC(C)(C)C2)CC[NH2+]1 ZINC000261542872 135183346 /nfs/dbraw/zinc/18/33/46/135183346.db2.gz QZMPJHMGKKFISC-AGIUHOORSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)n1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000261543260 135183939 /nfs/dbraw/zinc/18/39/39/135183939.db2.gz SDIDCAHHOXHGHH-VXGBXAGGSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000261543260 135183941 /nfs/dbraw/zinc/18/39/41/135183941.db2.gz SDIDCAHHOXHGHH-VXGBXAGGSA-N 2 1 236.363 1.633 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261549002 135187927 /nfs/dbraw/zinc/18/79/27/135187927.db2.gz KCUWBASWOZJFDN-RWMBFGLXSA-N 2 1 231.343 1.559 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261549006 135187944 /nfs/dbraw/zinc/18/79/44/135187944.db2.gz KCUWBASWOZJFDN-YNEHKIRRSA-N 2 1 231.343 1.559 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000261551039 135190104 /nfs/dbraw/zinc/19/01/04/135190104.db2.gz PZWIUMPATRHCCO-CMPLNLGQSA-N 2 1 212.337 1.082 20 0 BDADMP CCc1nc(N2CCCC[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000261552214 135191209 /nfs/dbraw/zinc/19/12/09/135191209.db2.gz MQXDCQUBIOMYTI-LLVKDONJSA-N 2 1 234.347 1.665 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000084215693 135192120 /nfs/dbraw/zinc/19/21/20/135192120.db2.gz MWZIATKQBGNOIL-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP CCc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(C)[nH+]1 ZINC000261554629 135194800 /nfs/dbraw/zinc/19/48/00/135194800.db2.gz AZSSRCXOSAGKHE-NWDGAFQWSA-N 2 1 246.358 1.393 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261555165 135195326 /nfs/dbraw/zinc/19/53/26/135195326.db2.gz UUNYVOUYWKTEFQ-MNOVXSKESA-N 2 1 212.337 1.095 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261556893 135196888 /nfs/dbraw/zinc/19/68/88/135196888.db2.gz WNPNUMKJGCIHBG-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]3CCC[C@@H]32)CC[NH2+]C1 ZINC000261559019 135199488 /nfs/dbraw/zinc/19/94/88/135199488.db2.gz YUENVNYQGOSCKI-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc(C)[nH+]1 ZINC000261558829 135199827 /nfs/dbraw/zinc/19/98/27/135199827.db2.gz SSIIQLGGFMNSJH-NEPJUHHUSA-N 2 1 232.331 1.282 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261561470 135202479 /nfs/dbraw/zinc/20/24/79/135202479.db2.gz AOHHZXICZCXRSS-ZWNOBZJWSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261561470 135202480 /nfs/dbraw/zinc/20/24/80/135202480.db2.gz AOHHZXICZCXRSS-ZWNOBZJWSA-N 2 1 219.332 1.559 20 0 BDADMP CCc1nc(N[C@H]2CCC[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000261562303 135203806 /nfs/dbraw/zinc/20/38/06/135203806.db2.gz WFCCRFIFAJLTCV-QWRGUYRKSA-N 2 1 234.347 1.887 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261563698 135204886 /nfs/dbraw/zinc/20/48/86/135204886.db2.gz XDSFVNQAFHQHOB-STQMWFEESA-N 2 1 231.343 1.431 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261563698 135204888 /nfs/dbraw/zinc/20/48/88/135204888.db2.gz XDSFVNQAFHQHOB-STQMWFEESA-N 2 1 231.343 1.431 20 0 BDADMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261563981 135206108 /nfs/dbraw/zinc/20/61/08/135206108.db2.gz HDYDETJVXIPETM-AEGPPILISA-N 2 1 246.354 1.864 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261572472 135214551 /nfs/dbraw/zinc/21/45/51/135214551.db2.gz LPYYRDMJHNXDSQ-KBPBESRZSA-N 2 1 246.354 1.737 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261572472 135214552 /nfs/dbraw/zinc/21/45/52/135214552.db2.gz LPYYRDMJHNXDSQ-KBPBESRZSA-N 2 1 246.354 1.737 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261576780 135218604 /nfs/dbraw/zinc/21/86/04/135218604.db2.gz NZTQZTWGAOCNLZ-NWDGAFQWSA-N 2 1 247.342 1.137 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261576780 135218605 /nfs/dbraw/zinc/21/86/05/135218605.db2.gz NZTQZTWGAOCNLZ-NWDGAFQWSA-N 2 1 247.342 1.137 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261577018 135218762 /nfs/dbraw/zinc/21/87/62/135218762.db2.gz KTLDHNDAWQYRBC-VXGBXAGGSA-N 2 1 217.316 1.578 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)nc1 ZINC000261579946 135220911 /nfs/dbraw/zinc/22/09/11/135220911.db2.gz MPWWPNUZYFBDQI-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)nc1 ZINC000261579946 135220912 /nfs/dbraw/zinc/22/09/12/135220912.db2.gz MPWWPNUZYFBDQI-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000261580066 135220986 /nfs/dbraw/zinc/22/09/86/135220986.db2.gz MQHNJQGFDBSRBT-MNOVXSKESA-N 2 1 214.353 1.349 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261581744 135222083 /nfs/dbraw/zinc/22/20/83/135222083.db2.gz NWCJIWQYEZSGSL-CHWSQXEVSA-N 2 1 226.364 1.200 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261581742 135222257 /nfs/dbraw/zinc/22/22/57/135222257.db2.gz NVWAKPAMQSUYLC-LBPRGKRZSA-N 2 1 239.388 1.665 20 0 BDADMP COCc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000261585095 135225903 /nfs/dbraw/zinc/22/59/03/135225903.db2.gz QDQCCKYEPQDKAM-GHMZBOCLSA-N 2 1 222.332 1.658 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCC1CC1 ZINC000261595424 135234786 /nfs/dbraw/zinc/23/47/86/135234786.db2.gz YCIYMDXTJMQHDA-JQWIXIFHSA-N 2 1 212.337 1.082 20 0 BDADMP Nc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000261594941 135234970 /nfs/dbraw/zinc/23/49/70/135234970.db2.gz XVOKFPUCSQOALR-GFCCVEGCSA-N 2 1 205.305 1.192 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000261594941 135234971 /nfs/dbraw/zinc/23/49/71/135234971.db2.gz XVOKFPUCSQOALR-GFCCVEGCSA-N 2 1 205.305 1.192 20 0 BDADMP CC[C@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC000261596188 135236274 /nfs/dbraw/zinc/23/62/74/135236274.db2.gz YOYVULYDGFZLCO-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC000261596188 135236276 /nfs/dbraw/zinc/23/62/76/135236276.db2.gz YOYVULYDGFZLCO-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@H]1CCOC1 ZINC000261598021 135236669 /nfs/dbraw/zinc/23/66/69/135236669.db2.gz ZIQAQOVCWOCWCQ-GRYCIOLGSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1F ZINC000261598492 135236856 /nfs/dbraw/zinc/23/68/56/135236856.db2.gz ZOYQROJPYPPABJ-ZWNOBZJWSA-N 2 1 222.307 1.913 20 0 BDADMP [NH3+][C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000261602954 135237875 /nfs/dbraw/zinc/23/78/75/135237875.db2.gz ASBDTMOTDMROOH-VHDGCEQUSA-N 2 1 246.354 1.450 20 0 BDADMP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000261602954 135237876 /nfs/dbraw/zinc/23/78/76/135237876.db2.gz ASBDTMOTDMROOH-VHDGCEQUSA-N 2 1 246.354 1.450 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000261546566 135238378 /nfs/dbraw/zinc/23/83/78/135238378.db2.gz HAGOYBDCLXCZLJ-FPMFFAJLSA-N 2 1 234.318 1.995 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261634391 135241680 /nfs/dbraw/zinc/24/16/80/135241680.db2.gz DBXKOUIWVLYDPF-GFCCVEGCSA-N 2 1 239.388 1.876 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261634391 135241682 /nfs/dbraw/zinc/24/16/82/135241682.db2.gz DBXKOUIWVLYDPF-GFCCVEGCSA-N 2 1 239.388 1.876 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H](C)[NH3+] ZINC000261687887 135246294 /nfs/dbraw/zinc/24/62/94/135246294.db2.gz BVQRRPNTOGTXAX-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261698781 135246739 /nfs/dbraw/zinc/24/67/39/135246739.db2.gz HXQNFAZFDQUINA-ZDUSSCGKSA-N 2 1 237.347 1.716 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261698781 135246740 /nfs/dbraw/zinc/24/67/40/135246740.db2.gz HXQNFAZFDQUINA-ZDUSSCGKSA-N 2 1 237.347 1.716 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261734701 135249213 /nfs/dbraw/zinc/24/92/13/135249213.db2.gz HPNGHVSAAIGICJ-BNOWGMLFSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261734701 135249215 /nfs/dbraw/zinc/24/92/15/135249215.db2.gz HPNGHVSAAIGICJ-BNOWGMLFSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)(C)[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000261756873 135250826 /nfs/dbraw/zinc/25/08/26/135250826.db2.gz MBVLFAGKAMBEAU-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000261756873 135250828 /nfs/dbraw/zinc/25/08/28/135250828.db2.gz MBVLFAGKAMBEAU-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000261920570 135263654 /nfs/dbraw/zinc/26/36/54/135263654.db2.gz KLEBOLFXEWFRJK-LLVKDONJSA-N 2 1 242.363 1.246 20 0 BDADMP c1cn(C[C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261932038 135264073 /nfs/dbraw/zinc/26/40/73/135264073.db2.gz LREIKDXLGGILBN-KBPBESRZSA-N 3 1 248.374 1.347 20 0 BDADMP CC(C)[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000261936999 135264234 /nfs/dbraw/zinc/26/42/34/135264234.db2.gz MFDGBZADELVYAV-KGLIPLIRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)CC[NH2+]C1 ZINC000261954968 135266004 /nfs/dbraw/zinc/26/60/04/135266004.db2.gz GPDKQKCMUDHBMB-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP COCC(C)(C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261956319 135266417 /nfs/dbraw/zinc/26/64/17/135266417.db2.gz OSQVVIDOHZPKMP-FUNVUKJBSA-N 2 1 240.391 1.874 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCOCC2(CC2)C1 ZINC000261965522 135267478 /nfs/dbraw/zinc/26/74/78/135267478.db2.gz PVMWGGAPUFPMIA-LBPRGKRZSA-N 2 1 224.348 1.098 20 0 BDADMP c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)co1 ZINC000262021919 135272835 /nfs/dbraw/zinc/27/28/35/135272835.db2.gz WEVBDYLAVXFYLD-CYBMUJFWSA-N 2 1 235.331 1.639 20 0 BDADMP c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)co1 ZINC000262043218 135275881 /nfs/dbraw/zinc/27/58/81/135275881.db2.gz PJJGJOAEPZFLBR-UHFFFAOYSA-N 2 1 221.304 1.250 20 0 BDADMP CC(C)[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262101971 135278925 /nfs/dbraw/zinc/27/89/25/135278925.db2.gz VRMBFPAKVNGTPW-NSHDSACASA-N 2 1 246.314 1.851 20 0 BDADMP C[C@@]1(C[N@H+]2CCOCC3(CC3)C2)CC[NH2+]C1 ZINC000262115613 135279648 /nfs/dbraw/zinc/27/96/48/135279648.db2.gz WVIQVRNVVRBNNY-GFCCVEGCSA-N 2 1 224.348 1.098 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262106156 135280018 /nfs/dbraw/zinc/28/00/18/135280018.db2.gz VYTCJJWKTKUKGA-IHRRRGAJSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000262144486 135281340 /nfs/dbraw/zinc/28/13/40/135281340.db2.gz ZKHSEAZLCJCXFU-CRWXNKLISA-N 3 1 237.391 1.045 20 0 BDADMP C[C@]1(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000262144486 135281341 /nfs/dbraw/zinc/28/13/41/135281341.db2.gz ZKHSEAZLCJCXFU-CRWXNKLISA-N 2 1 237.391 1.045 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262144627 135281500 /nfs/dbraw/zinc/28/15/00/135281500.db2.gz ZKTXBLNUGNXVJE-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299894300 135380609 /nfs/dbraw/zinc/38/06/09/135380609.db2.gz VPTSARHBFMWGIQ-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299894300 135380610 /nfs/dbraw/zinc/38/06/10/135380610.db2.gz VPTSARHBFMWGIQ-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP C(C1CCCC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299893633 135381089 /nfs/dbraw/zinc/38/10/89/135381089.db2.gz NGDRAMFCBICQGP-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000299901342 135381187 /nfs/dbraw/zinc/38/11/87/135381187.db2.gz BPAMTDSLHIDZIM-OCCSQVGLSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000299901342 135381189 /nfs/dbraw/zinc/38/11/89/135381189.db2.gz BPAMTDSLHIDZIM-OCCSQVGLSA-N 2 1 233.359 1.820 20 0 BDADMP CC1CC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000334844258 135821129 /nfs/dbraw/zinc/82/11/29/135821129.db2.gz DTGRRJWHESNVDL-HWOCKDDLSA-N 2 1 218.291 1.619 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000347748699 136011023 /nfs/dbraw/zinc/01/10/23/136011023.db2.gz MGQKTONUCYTELO-AWEZNQCLSA-N 2 1 248.374 1.370 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000348114040 136037300 /nfs/dbraw/zinc/03/73/00/136037300.db2.gz FOPORPATINKVLS-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000348114042 136037327 /nfs/dbraw/zinc/03/73/27/136037327.db2.gz FOPORPATINKVLS-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348175058 136042624 /nfs/dbraw/zinc/04/26/24/136042624.db2.gz YGUXYFXLJLYQCF-QWHCGFSZSA-N 2 1 237.347 1.332 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000348185649 136044252 /nfs/dbraw/zinc/04/42/52/136044252.db2.gz QGSOOUUZVCNUDB-XWLWVQCSSA-N 2 1 232.318 1.960 20 0 BDADMP Oc1cccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000335325860 136051994 /nfs/dbraw/zinc/05/19/94/136051994.db2.gz CQYOWDLDHCBGLS-NSHDSACASA-N 2 1 243.310 1.762 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC000335570938 136109130 /nfs/dbraw/zinc/10/91/30/136109130.db2.gz XRFWSVSNVNVLEE-ZDUSSCGKSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC000335570938 136109131 /nfs/dbraw/zinc/10/91/31/136109131.db2.gz XRFWSVSNVNVLEE-ZDUSSCGKSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC000335570938 136109132 /nfs/dbraw/zinc/10/91/32/136109132.db2.gz XRFWSVSNVNVLEE-ZDUSSCGKSA-N 2 1 208.349 1.957 20 0 BDADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[NH3+])c1 ZINC000165999832 397798916 /nfs/dbraw/zinc/79/89/16/397798916.db2.gz LHSXMHWRXVVYEU-UHFFFAOYSA-N 2 1 249.358 1.102 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1cccc(F)c1 ZINC000019958144 397962798 /nfs/dbraw/zinc/96/27/98/397962798.db2.gz SQXUELBYNXTBBE-UHFFFAOYSA-N 2 1 210.296 1.867 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCO1 ZINC000383108892 398001654 /nfs/dbraw/zinc/00/16/54/398001654.db2.gz QLUURWDICMOIDE-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000649618726 398004397 /nfs/dbraw/zinc/00/43/97/398004397.db2.gz LUAGAXHZLFMWQG-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[C@@H]1C[NH+](C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649618726 398004401 /nfs/dbraw/zinc/00/44/01/398004401.db2.gz LUAGAXHZLFMWQG-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[C@@H]1C[NH+](C)CCN1C[C@H]1CCC[N@H+]1C ZINC000649618726 398004403 /nfs/dbraw/zinc/00/44/03/398004403.db2.gz LUAGAXHZLFMWQG-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000649624534 398005649 /nfs/dbraw/zinc/00/56/49/398005649.db2.gz JAVPOZGDNKTTEO-ZIAGYGMSSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000649624534 398005651 /nfs/dbraw/zinc/00/56/51/398005651.db2.gz JAVPOZGDNKTTEO-ZIAGYGMSSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000649624534 398005653 /nfs/dbraw/zinc/00/56/53/398005653.db2.gz JAVPOZGDNKTTEO-ZIAGYGMSSA-N 2 1 239.407 1.495 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)C[C@H]1CCC[N@H+]1C ZINC000649631694 398013623 /nfs/dbraw/zinc/01/36/23/398013623.db2.gz JQICBAPNVRHUMC-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CCC[N@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414676562 398014668 /nfs/dbraw/zinc/01/46/68/398014668.db2.gz VGXBZNLFJXOUME-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000382784435 397980838 /nfs/dbraw/zinc/98/08/38/397980838.db2.gz WNFVDKIUCDCILP-QWRGUYRKSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000382784435 397980840 /nfs/dbraw/zinc/98/08/40/397980840.db2.gz WNFVDKIUCDCILP-QWRGUYRKSA-N 2 1 238.331 1.595 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)CC[N@@H+]1C ZINC000186399556 398065168 /nfs/dbraw/zinc/06/51/68/398065168.db2.gz PQOXHGXWFQVMNG-AGIUHOORSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)CC[N@H+]1C ZINC000186399556 398065173 /nfs/dbraw/zinc/06/51/73/398065173.db2.gz PQOXHGXWFQVMNG-AGIUHOORSA-N 2 1 242.407 1.856 20 0 BDADMP COCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543469 398094253 /nfs/dbraw/zinc/09/42/53/398094253.db2.gz JBGNIOJYOZUUSS-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000393282053 487571265 /nfs/dbraw/zinc/57/12/65/487571265.db2.gz YXEIPLAHFDURTH-AVGNSLFASA-N 2 1 226.364 1.079 20 0 BDADMP Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334848331 487573849 /nfs/dbraw/zinc/57/38/49/487573849.db2.gz RIAGGFFGXOCCOP-NXEZZACHSA-N 2 1 208.309 1.078 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334848331 487573855 /nfs/dbraw/zinc/57/38/55/487573855.db2.gz RIAGGFFGXOCCOP-NXEZZACHSA-N 2 1 208.309 1.078 20 0 BDADMP Cc1cn[nH]c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000334848332 487573963 /nfs/dbraw/zinc/57/39/63/487573963.db2.gz RIAGGFFGXOCCOP-UWVGGRQHSA-N 2 1 208.309 1.078 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000334848332 487573968 /nfs/dbraw/zinc/57/39/68/487573968.db2.gz RIAGGFFGXOCCOP-UWVGGRQHSA-N 2 1 208.309 1.078 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367422444 167215957 /nfs/dbraw/zinc/21/59/57/167215957.db2.gz GKZQOVWTDSVGFJ-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367422444 167215959 /nfs/dbraw/zinc/21/59/59/167215959.db2.gz GKZQOVWTDSVGFJ-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000367422444 167215962 /nfs/dbraw/zinc/21/59/62/167215962.db2.gz GKZQOVWTDSVGFJ-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000367422444 167215966 /nfs/dbraw/zinc/21/59/66/167215966.db2.gz GKZQOVWTDSVGFJ-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000336679608 167216197 /nfs/dbraw/zinc/21/61/97/167216197.db2.gz ALMQLIAUOJWWLK-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049260899 167230790 /nfs/dbraw/zinc/23/07/90/167230790.db2.gz PBVWASQNAFCTCM-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C([NH2+]C1CSC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819269 487587710 /nfs/dbraw/zinc/58/77/10/487587710.db2.gz NPIFEQDEGDRGCC-GFCCVEGCSA-N 2 1 240.416 1.813 20 0 BDADMP CCC[N@H+]1CC[C@H](NC2CC[NH+](CC)CC2)C1 ZINC000383151954 487589601 /nfs/dbraw/zinc/58/96/01/487589601.db2.gz JWFWDMDAIUJLDO-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000232455016 487595292 /nfs/dbraw/zinc/59/52/92/487595292.db2.gz SQMVOLSHYAIKCP-GFCCVEGCSA-N 2 1 202.301 1.105 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662264208 409562236 /nfs/dbraw/zinc/56/22/36/409562236.db2.gz CGIUPBSCYXOKQU-KGYLQXTDSA-N 2 1 226.364 1.471 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000662265958 409565469 /nfs/dbraw/zinc/56/54/69/409565469.db2.gz UZRDWSJTBBMNAG-WCBMZHEXSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000662265958 409565480 /nfs/dbraw/zinc/56/54/80/409565480.db2.gz UZRDWSJTBBMNAG-WCBMZHEXSA-N 2 1 209.293 1.152 20 0 BDADMP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662244406 409538681 /nfs/dbraw/zinc/53/86/81/409538681.db2.gz NWKSBUAGGPOBJY-KXUCPTDWSA-N 2 1 234.290 1.080 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662244406 409538688 /nfs/dbraw/zinc/53/86/88/409538688.db2.gz NWKSBUAGGPOBJY-KXUCPTDWSA-N 2 1 234.290 1.080 20 0 BDADMP CC(C)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662256057 409552282 /nfs/dbraw/zinc/55/22/82/409552282.db2.gz IZHHWEZDQJOHJN-CYBMUJFWSA-N 2 1 238.375 1.770 20 0 BDADMP O[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662284923 409618683 /nfs/dbraw/zinc/61/86/83/409618683.db2.gz QYNSVWJFDZBISH-CQSZACIVSA-N 2 1 246.354 1.289 20 0 BDADMP CO[C@@H](C[N@H+](C)CC(C)(C)[NH3+])C1CCCC1 ZINC000662294177 409625086 /nfs/dbraw/zinc/62/50/86/409625086.db2.gz JLLCXKNSSADRJR-LBPRGKRZSA-N 2 1 228.380 1.861 20 0 BDADMP CO[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CCCC1 ZINC000662294177 409625095 /nfs/dbraw/zinc/62/50/95/409625095.db2.gz JLLCXKNSSADRJR-LBPRGKRZSA-N 2 1 228.380 1.861 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662307235 409627752 /nfs/dbraw/zinc/62/77/52/409627752.db2.gz XNXUQCROKPHJIW-IAFLXDRLSA-N 2 1 220.360 1.846 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662284432 409615011 /nfs/dbraw/zinc/61/50/11/409615011.db2.gz YEZMXBURYLWZCL-WDEREUQCSA-N 2 1 237.347 1.654 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662284432 409615015 /nfs/dbraw/zinc/61/50/15/409615015.db2.gz YEZMXBURYLWZCL-WDEREUQCSA-N 2 1 237.347 1.654 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CC1(C)C ZINC000662344739 409655545 /nfs/dbraw/zinc/65/55/45/409655545.db2.gz SEGIGUAZJDSJQB-NEPJUHHUSA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CC1(C)C ZINC000662344739 409655552 /nfs/dbraw/zinc/65/55/52/409655552.db2.gz SEGIGUAZJDSJQB-NEPJUHHUSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662344739 409655561 /nfs/dbraw/zinc/65/55/61/409655561.db2.gz SEGIGUAZJDSJQB-NEPJUHHUSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662344739 409655568 /nfs/dbraw/zinc/65/55/68/409655568.db2.gz SEGIGUAZJDSJQB-NEPJUHHUSA-N 2 1 228.380 1.277 20 0 BDADMP C[NH2+]C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000141720431 487610654 /nfs/dbraw/zinc/61/06/54/487610654.db2.gz VJTOLCAUJPVZNC-UHFFFAOYSA-N 2 1 231.303 1.146 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCC[NH2+]1 ZINC000422746347 409716174 /nfs/dbraw/zinc/71/61/74/409716174.db2.gz NTFXBYIMEHTSSF-MJDLHHQISA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000650711748 410342856 /nfs/dbraw/zinc/34/28/56/410342856.db2.gz CAHXNKVQQXSKLQ-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000650711748 410342860 /nfs/dbraw/zinc/34/28/60/410342860.db2.gz CAHXNKVQQXSKLQ-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713804 410344642 /nfs/dbraw/zinc/34/46/42/410344642.db2.gz CMXUHGSKCFDBRM-NSHDSACASA-N 2 1 213.369 1.078 20 0 BDADMP FC1(F)C[C@@]12CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000650725324 410363682 /nfs/dbraw/zinc/36/36/82/410363682.db2.gz YJTIKALRTMHOKO-GHMZBOCLSA-N 2 1 230.302 1.717 20 0 BDADMP Cc1cc(CO)cc(NC[C@H](C)C[NH+](C)C)[nH+]1 ZINC000663932442 410388034 /nfs/dbraw/zinc/38/80/34/410388034.db2.gz VXYUAKGQAFCJSM-JTQLQIEISA-N 2 1 237.347 1.492 20 0 BDADMP Cc1cc(CO)cc(NC[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000663932445 410388819 /nfs/dbraw/zinc/38/88/19/410388819.db2.gz VXYUAKGQAFCJSM-SNVBAGLBSA-N 2 1 237.347 1.492 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000665297373 410815191 /nfs/dbraw/zinc/81/51/91/410815191.db2.gz DVQLEPDPSPYPTC-OLZOCXBDSA-N 2 1 235.375 1.990 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)CCO1 ZINC000394864328 410828592 /nfs/dbraw/zinc/82/85/92/410828592.db2.gz SHWJVGZJJSMFOZ-XUXIUFHCSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396470019 410885236 /nfs/dbraw/zinc/88/52/36/410885236.db2.gz WPGDDYQJBCCBNW-DGCLKSJQSA-N 3 1 225.380 1.058 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](CO)C1 ZINC000169676118 169776677 /nfs/dbraw/zinc/77/66/77/169776677.db2.gz NYEIMCJYQMJESC-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370612628 167134656 /nfs/dbraw/zinc/13/46/56/167134656.db2.gz OQSJHGQNQCFOSL-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370612628 167134658 /nfs/dbraw/zinc/13/46/58/167134658.db2.gz OQSJHGQNQCFOSL-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP CCC[NH+](CCC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309295636 410918499 /nfs/dbraw/zinc/91/84/99/410918499.db2.gz WWTYIALAYKUNIE-CYBMUJFWSA-N 2 1 230.396 1.810 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1 ZINC000335348006 487619824 /nfs/dbraw/zinc/61/98/24/487619824.db2.gz BSTVLTNUXNUADF-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000398463834 410966809 /nfs/dbraw/zinc/96/68/09/410966809.db2.gz ZKNRWEGIUYZPFH-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP COCc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000394595494 411006504 /nfs/dbraw/zinc/00/65/04/411006504.db2.gz KAERYZPNPNOXTB-GHMZBOCLSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000394595494 411006513 /nfs/dbraw/zinc/00/65/13/411006513.db2.gz KAERYZPNPNOXTB-GHMZBOCLSA-N 2 1 238.331 1.595 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1=CCCOC1 ZINC000651865629 411147834 /nfs/dbraw/zinc/14/78/34/411147834.db2.gz BDPDJUHRRNCCDP-UHFFFAOYSA-N 2 1 240.391 1.901 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000404662944 411154091 /nfs/dbraw/zinc/15/40/91/411154091.db2.gz XHHAILUZVBISLW-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC3(CCC3)C2)CC[N@@H+]1C ZINC000657890295 411154428 /nfs/dbraw/zinc/15/44/28/411154428.db2.gz PBLAIWODSNMLND-UPJWGTAASA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC3(CCC3)C2)CC[N@H+]1C ZINC000657890295 411154431 /nfs/dbraw/zinc/15/44/31/411154431.db2.gz PBLAIWODSNMLND-UPJWGTAASA-N 2 1 238.375 1.770 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C2CC2)C1 ZINC000653677737 411169361 /nfs/dbraw/zinc/16/93/61/411169361.db2.gz BUUYCSXGOBLBNI-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000653677737 411169364 /nfs/dbraw/zinc/16/93/64/411169364.db2.gz BUUYCSXGOBLBNI-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000653677737 411169368 /nfs/dbraw/zinc/16/93/68/411169368.db2.gz BUUYCSXGOBLBNI-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222108 411175681 /nfs/dbraw/zinc/17/56/81/411175681.db2.gz FVVNBDAJHKZTAS-CHWSQXEVSA-N 2 1 230.396 1.977 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222111 411175827 /nfs/dbraw/zinc/17/58/27/411175827.db2.gz FVVNBDAJHKZTAS-STQMWFEESA-N 2 1 230.396 1.977 20 0 BDADMP CCO[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C[NH3+] ZINC000405555381 411188190 /nfs/dbraw/zinc/18/81/90/411188190.db2.gz AUKWDKXEZCLABM-VXGBXAGGSA-N 2 1 212.337 1.082 20 0 BDADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC1CCCC1 ZINC000656417108 411245867 /nfs/dbraw/zinc/24/58/67/411245867.db2.gz UZBICHOKXRAWES-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652356141 411214776 /nfs/dbraw/zinc/21/47/76/411214776.db2.gz TZPZQYKFJQJFMF-VXGBXAGGSA-N 3 1 213.369 1.045 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652356141 411214779 /nfs/dbraw/zinc/21/47/79/411214779.db2.gz TZPZQYKFJQJFMF-VXGBXAGGSA-N 3 1 213.369 1.045 20 0 BDADMP Cc1noc([C@H](C)[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000652359518 411216911 /nfs/dbraw/zinc/21/69/11/411216911.db2.gz OGJCWWCOBPTVTK-VIFPVBQESA-N 2 1 238.335 1.500 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000655682648 411224114 /nfs/dbraw/zinc/22/41/14/411224114.db2.gz IDQQSEDJPMWUCI-CMPLNLGQSA-N 2 1 228.405 1.954 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC000310215235 411224960 /nfs/dbraw/zinc/22/49/60/411224960.db2.gz DZIGCZBIAKMASS-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655684621 411225998 /nfs/dbraw/zinc/22/59/98/411225998.db2.gz SNKWATPVTAWBDU-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP COCCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422827722 411233888 /nfs/dbraw/zinc/23/38/88/411233888.db2.gz SNZABIXYKNPGQL-LLVKDONJSA-N 2 1 237.347 1.961 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423173858 411236165 /nfs/dbraw/zinc/23/61/65/411236165.db2.gz AIXDEPFYMAOOGV-LLVKDONJSA-N 2 1 230.315 1.482 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423173368 411236414 /nfs/dbraw/zinc/23/64/14/411236414.db2.gz YEEMYKQECSWNLP-UONOGXRCSA-N 3 1 241.423 1.825 20 0 BDADMP c1c(C[NH+]2CCCCC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656469053 411280494 /nfs/dbraw/zinc/28/04/94/411280494.db2.gz ZPTLNNBLLMDFFF-ZDUSSCGKSA-N 2 1 249.362 1.189 20 0 BDADMP c1ccc2c(c1)C[NH+](C[C@@H]1CC[NH2+]C1)C2 ZINC000051890185 411285497 /nfs/dbraw/zinc/28/54/97/411285497.db2.gz FAXZLJJOGRTILR-LLVKDONJSA-N 2 1 202.301 1.612 20 0 BDADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000658190291 411286022 /nfs/dbraw/zinc/28/60/22/411286022.db2.gz QAKLUXQLXGHQIE-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655777422 411295928 /nfs/dbraw/zinc/29/59/28/411295928.db2.gz SIFMIBWSAQRNID-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661831433 411317197 /nfs/dbraw/zinc/31/71/97/411317197.db2.gz OHKUEMNQNUYAKX-STQMWFEESA-N 2 1 249.358 1.475 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401751025 411318178 /nfs/dbraw/zinc/31/81/78/411318178.db2.gz NTHQQEKTHWJUIA-WCFLWFBJSA-N 2 1 228.380 1.371 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402903448 411321075 /nfs/dbraw/zinc/32/10/75/411321075.db2.gz WBBQIVPDFXEZKL-OBJOEFQTSA-N 2 1 246.358 1.598 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402903448 411321076 /nfs/dbraw/zinc/32/10/76/411321076.db2.gz WBBQIVPDFXEZKL-OBJOEFQTSA-N 2 1 246.358 1.598 20 0 BDADMP C[C@@H](F)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655770982 411252583 /nfs/dbraw/zinc/25/25/83/411252583.db2.gz WFOOSLPDPMVTQE-YPMHNXCESA-N 2 1 244.354 1.577 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656787412 411366120 /nfs/dbraw/zinc/36/61/20/411366120.db2.gz YHVHYYSELFROCX-HNNXBMFYSA-N 3 1 247.386 1.405 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000656788056 411366898 /nfs/dbraw/zinc/36/68/98/411366898.db2.gz NPUGGCWVEIEMHF-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658332967 411341155 /nfs/dbraw/zinc/34/11/55/411341155.db2.gz UWVHKUTXMZAXPV-QCNOEVLYSA-N 2 1 212.337 1.236 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658332967 411341157 /nfs/dbraw/zinc/34/11/57/411341157.db2.gz UWVHKUTXMZAXPV-QCNOEVLYSA-N 2 1 212.337 1.236 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662435 411375391 /nfs/dbraw/zinc/37/53/91/411375391.db2.gz KDQUBGKKSSUHEG-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662435 411375398 /nfs/dbraw/zinc/37/53/98/411375398.db2.gz KDQUBGKKSSUHEG-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662435 411375402 /nfs/dbraw/zinc/37/54/02/411375402.db2.gz KDQUBGKKSSUHEG-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000303264396 168171412 /nfs/dbraw/zinc/17/14/12/168171412.db2.gz SITXDVAJXJAYJF-GFCCVEGCSA-N 2 1 238.379 1.194 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000309433507 411383877 /nfs/dbraw/zinc/38/38/77/411383877.db2.gz MTDTULINGGQIEY-GWCFXTLKSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000309433507 411383882 /nfs/dbraw/zinc/38/38/82/411383882.db2.gz MTDTULINGGQIEY-GWCFXTLKSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CO1 ZINC000657305977 411456942 /nfs/dbraw/zinc/45/69/42/411456942.db2.gz WNUKFRYWAQZTLN-QWHCGFSZSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CO1 ZINC000657312032 411459448 /nfs/dbraw/zinc/45/94/48/411459448.db2.gz CPRUBBUDOLZTAM-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CO1 ZINC000657312032 411459449 /nfs/dbraw/zinc/45/94/49/411459449.db2.gz CPRUBBUDOLZTAM-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP Cc1[nH+]cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1C ZINC000657313374 411460487 /nfs/dbraw/zinc/46/04/87/411460487.db2.gz KVBSTYIUNZQZFJ-CHWSQXEVSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1[nH+]cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1C ZINC000657313374 411460490 /nfs/dbraw/zinc/46/04/90/411460490.db2.gz KVBSTYIUNZQZFJ-CHWSQXEVSA-N 2 1 248.374 1.445 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)C[NH2+]C(C)C ZINC000659327205 411394696 /nfs/dbraw/zinc/39/46/96/411394696.db2.gz LDPMMBMVPREPMC-UHFFFAOYSA-N 2 1 243.395 1.079 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CO1 ZINC000657315448 411461513 /nfs/dbraw/zinc/46/15/13/411461513.db2.gz NCJXATCQGSXEBI-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccc(C)cn2)CC[C@@H]1[NH3+] ZINC000122308130 411427629 /nfs/dbraw/zinc/42/76/29/411427629.db2.gz RQZNFAKZERMUOO-JSGCOSHPSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(C)cn2)CC[C@@H]1[NH3+] ZINC000122308130 411427630 /nfs/dbraw/zinc/42/76/30/411427630.db2.gz RQZNFAKZERMUOO-JSGCOSHPSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414944974 411472943 /nfs/dbraw/zinc/47/29/43/411472943.db2.gz OZEJEEGFCAONBF-VIFPVBQESA-N 2 1 218.304 1.010 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000657353899 411473841 /nfs/dbraw/zinc/47/38/41/411473841.db2.gz KXOIWGUQLMUYAY-HZSPNIEDSA-N 2 1 242.407 1.857 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000037977195 169957250 /nfs/dbraw/zinc/95/72/50/169957250.db2.gz SSQZTTQWZNDACY-LLVKDONJSA-N 2 1 214.378 1.566 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657426613 411503742 /nfs/dbraw/zinc/50/37/42/411503742.db2.gz AEBIPLDLIQTAOT-UHFFFAOYSA-N 2 1 246.358 1.181 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000655818768 411525580 /nfs/dbraw/zinc/52/55/80/411525580.db2.gz UEPODBGEFWIPFY-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000336672808 170017430 /nfs/dbraw/zinc/01/74/30/170017430.db2.gz GOLAWFZXPUPVEV-WUHRBBMRSA-N 2 1 210.365 1.962 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCOC2)C[C@H]1C ZINC000336692755 170019459 /nfs/dbraw/zinc/01/94/59/170019459.db2.gz IRVYKIJNRODLQF-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCOC2)C[C@H]1C ZINC000336692755 170019461 /nfs/dbraw/zinc/01/94/61/170019461.db2.gz IRVYKIJNRODLQF-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCOC2)C[C@H]1C ZINC000336692755 170019462 /nfs/dbraw/zinc/01/94/62/170019462.db2.gz IRVYKIJNRODLQF-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CC2)[C@@H](C)C1 ZINC000353517827 170021368 /nfs/dbraw/zinc/02/13/68/170021368.db2.gz ZELYBVZGALCHAD-UBHSHLNASA-N 2 1 240.391 1.325 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000358293710 170021902 /nfs/dbraw/zinc/02/19/02/170021902.db2.gz AZPQPPCZAMTICD-FQUUOJAGSA-N 2 1 240.391 1.874 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1COC(C)(C)C1 ZINC000657530600 411543668 /nfs/dbraw/zinc/54/36/68/411543668.db2.gz LQKXCTGPNSVADY-GFCCVEGCSA-N 2 1 249.358 1.805 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657629236 411566698 /nfs/dbraw/zinc/56/66/98/411566698.db2.gz QNPCSHOMKHONFJ-IHRRRGAJSA-N 2 1 240.391 1.610 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000124461966 170329210 /nfs/dbraw/zinc/32/92/10/170329210.db2.gz JZLDMBDUKQMWSO-NWINJMCUSA-N 2 1 238.375 1.770 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000124461966 170329212 /nfs/dbraw/zinc/32/92/12/170329212.db2.gz JZLDMBDUKQMWSO-NWINJMCUSA-N 2 1 238.375 1.770 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657670928 411575001 /nfs/dbraw/zinc/57/50/01/411575001.db2.gz XUZRNOXVHWBTKU-JTQLQIEISA-N 2 1 218.291 1.716 20 0 BDADMP c1c[nH]c(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000657674678 411575579 /nfs/dbraw/zinc/57/55/79/411575579.db2.gz LKMMKSGLDBJMSN-GFCCVEGCSA-N 2 1 248.374 1.906 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000359377721 170374346 /nfs/dbraw/zinc/37/43/46/170374346.db2.gz KZACCRYISZBHSO-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[N@@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000082537249 170394843 /nfs/dbraw/zinc/39/48/43/170394843.db2.gz JGPNHWORWLPJME-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000657704463 411584066 /nfs/dbraw/zinc/58/40/66/411584066.db2.gz GEIPGPUNJMHUBT-LBPRGKRZSA-N 2 1 226.364 1.079 20 0 BDADMP c1cc2n(n1)CCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000657824002 411607709 /nfs/dbraw/zinc/60/77/09/411607709.db2.gz NKCRETOUNIVIOG-CYBMUJFWSA-N 2 1 248.374 1.794 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657865264 411614248 /nfs/dbraw/zinc/61/42/48/411614248.db2.gz WEXFGRXZBPIXOJ-GFCCVEGCSA-N 2 1 235.331 1.493 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657875222 411614773 /nfs/dbraw/zinc/61/47/73/411614773.db2.gz BSXGDUJZVXAMHD-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661173 411614822 /nfs/dbraw/zinc/61/48/22/411614822.db2.gz ZBBKFFSVRREFNL-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661173 411614824 /nfs/dbraw/zinc/61/48/24/411614824.db2.gz ZBBKFFSVRREFNL-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661173 411614825 /nfs/dbraw/zinc/61/48/25/411614825.db2.gz ZBBKFFSVRREFNL-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662657 411615535 /nfs/dbraw/zinc/61/55/35/411615535.db2.gz KNHNZHFDAVSFAH-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662657 411615536 /nfs/dbraw/zinc/61/55/36/411615536.db2.gz KNHNZHFDAVSFAH-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662657 411615537 /nfs/dbraw/zinc/61/55/37/411615537.db2.gz KNHNZHFDAVSFAH-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000663578591 411705889 /nfs/dbraw/zinc/70/58/89/411705889.db2.gz GUFNOJUQBNLXQI-GFCCVEGCSA-N 2 1 249.358 1.636 20 0 BDADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000663578591 411705893 /nfs/dbraw/zinc/70/58/93/411705893.db2.gz GUFNOJUQBNLXQI-GFCCVEGCSA-N 2 1 249.358 1.636 20 0 BDADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000663578591 411705897 /nfs/dbraw/zinc/70/58/97/411705897.db2.gz GUFNOJUQBNLXQI-GFCCVEGCSA-N 2 1 249.358 1.636 20 0 BDADMP CC[C@H](C)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133335666 411713369 /nfs/dbraw/zinc/71/33/69/411713369.db2.gz SVBMYSZGKKDEQN-AXFHLTTASA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@H](C)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133335666 411713370 /nfs/dbraw/zinc/71/33/70/411713370.db2.gz SVBMYSZGKKDEQN-AXFHLTTASA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(Cl)cnn1C ZINC000663502753 411685180 /nfs/dbraw/zinc/68/51/80/411685180.db2.gz LJBLMPYSURPSQG-SNVBAGLBSA-N 2 1 244.770 1.537 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000663502731 411685848 /nfs/dbraw/zinc/68/58/48/411685848.db2.gz LIBFAXSMFIHWAF-NWDGAFQWSA-N 3 1 213.369 1.092 20 0 BDADMP C[N@@H+](CC1=CCSC1)C[C@]1(C)CC[NH2+]C1 ZINC000663506648 411690089 /nfs/dbraw/zinc/69/00/89/411690089.db2.gz MQPMGCZKCVODRW-GFCCVEGCSA-N 2 1 226.389 1.591 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000663509780 411691936 /nfs/dbraw/zinc/69/19/36/411691936.db2.gz AEJNGTYIVRKGGL-DGCLKSJQSA-N 2 1 248.370 1.750 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](COC)CC(C)C ZINC000663512088 411694490 /nfs/dbraw/zinc/69/44/90/411694490.db2.gz FHPKOVSOEHCIRN-WDEREUQCSA-N 2 1 202.342 1.245 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000663514757 411695661 /nfs/dbraw/zinc/69/56/61/411695661.db2.gz SQPKJWOSAXWRDC-WCQYABFASA-N 2 1 210.365 1.964 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CO)C1CCC1 ZINC000661153054 411720674 /nfs/dbraw/zinc/72/06/74/411720674.db2.gz HYWRGHSLAMBSKU-ZDUSSCGKSA-N 2 1 237.347 1.103 20 0 BDADMP Cn1cncc1CCC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661711183 411853876 /nfs/dbraw/zinc/85/38/76/411853876.db2.gz XQPRVEUWWSPWFC-JSGCOSHPSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661711183 411853879 /nfs/dbraw/zinc/85/38/79/411853879.db2.gz XQPRVEUWWSPWFC-JSGCOSHPSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661711183 411853883 /nfs/dbraw/zinc/85/38/83/411853883.db2.gz XQPRVEUWWSPWFC-JSGCOSHPSA-N 2 1 249.358 1.321 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000661766309 411874894 /nfs/dbraw/zinc/87/48/94/411874894.db2.gz CKGKBLSAYJGNCW-YNEHKIRRSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H](O)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000661766309 411874898 /nfs/dbraw/zinc/87/48/98/411874898.db2.gz CKGKBLSAYJGNCW-YNEHKIRRSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H](O)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000661766309 411874903 /nfs/dbraw/zinc/87/49/03/411874903.db2.gz CKGKBLSAYJGNCW-YNEHKIRRSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H](C)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154586 412007974 /nfs/dbraw/zinc/00/79/74/412007974.db2.gz XWJKJPPHAQBTSO-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154930 412008891 /nfs/dbraw/zinc/00/88/91/412008891.db2.gz HNUVFZRWPDOIBZ-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC1([NH3+])CC1 ZINC000664718651 412014104 /nfs/dbraw/zinc/01/41/04/412014104.db2.gz GVCURBYIIQHOFG-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037882 411956472 /nfs/dbraw/zinc/95/64/72/411956472.db2.gz XLMIJCYDBNFOMB-KBPBESRZSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037882 411956477 /nfs/dbraw/zinc/95/64/77/411956477.db2.gz XLMIJCYDBNFOMB-KBPBESRZSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037887 411956792 /nfs/dbraw/zinc/95/67/92/411956792.db2.gz XLMIJCYDBNFOMB-ZIAGYGMSSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037887 411956795 /nfs/dbraw/zinc/95/67/95/411956795.db2.gz XLMIJCYDBNFOMB-ZIAGYGMSSA-N 2 1 249.358 1.550 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CCO ZINC000662216815 412029870 /nfs/dbraw/zinc/02/98/70/412029870.db2.gz PJXVCJOMOMHHKN-TZMCWYRMSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000662236142 412035540 /nfs/dbraw/zinc/03/55/40/412035540.db2.gz DADKHVNSTSXLIT-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662239655 412037850 /nfs/dbraw/zinc/03/78/50/412037850.db2.gz DNUOUQWOMLNTAU-UHFFFAOYSA-N 3 1 245.370 1.255 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+])C1CCC1 ZINC000662243412 412039899 /nfs/dbraw/zinc/03/98/99/412039899.db2.gz AGVYSEYWXJFPPA-FPMFFAJLSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+])C1CCC1 ZINC000662243412 412039901 /nfs/dbraw/zinc/03/99/01/412039901.db2.gz AGVYSEYWXJFPPA-FPMFFAJLSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000662245246 412041764 /nfs/dbraw/zinc/04/17/64/412041764.db2.gz JMCNDVPBJUQHTA-NXEZZACHSA-N 2 1 220.307 1.948 20 0 BDADMP C[N@@H+](CCCC1CCC1)CCN1CC[NH2+]CC1 ZINC000662245586 412042164 /nfs/dbraw/zinc/04/21/64/412042164.db2.gz LQZHNOLZMGUYPA-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662246378 412043384 /nfs/dbraw/zinc/04/33/84/412043384.db2.gz ROPLTMHPPIZTQZ-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1nnc([C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)[nH]1 ZINC000662246707 412043839 /nfs/dbraw/zinc/04/38/39/412043839.db2.gz QJJDKKBQFNQDRB-BDAKNGLRSA-N 2 1 237.351 1.233 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253731 412048297 /nfs/dbraw/zinc/04/82/97/412048297.db2.gz CAMVOEVSNSBECC-AGIUHOORSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254667 412049786 /nfs/dbraw/zinc/04/97/86/412049786.db2.gz SCQYDFNTPGUGDV-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255575 412051851 /nfs/dbraw/zinc/05/18/51/412051851.db2.gz FCNKCJWNJKJXFH-GRYCIOLGSA-N 2 1 224.348 1.238 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255479 412052354 /nfs/dbraw/zinc/05/23/54/412052354.db2.gz PTTWEOACDYWJSY-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000136184899 171053900 /nfs/dbraw/zinc/05/39/00/171053900.db2.gz AMILAOBJIQSWRT-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000020593556 171079670 /nfs/dbraw/zinc/07/96/70/171079670.db2.gz AIIFDTMWBRTKOV-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1nnc([C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)[nH]1 ZINC000662272513 412063581 /nfs/dbraw/zinc/06/35/81/412063581.db2.gz OJIRUMDFKABXDV-GXSJLCMTSA-N 2 1 237.351 1.235 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cc(C)ncn2)CC[C@@H]1[NH3+] ZINC000662273642 412064524 /nfs/dbraw/zinc/06/45/24/412064524.db2.gz XFXZJKNBCQCRQR-YPMHNXCESA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)CC[C@@H]1[NH3+] ZINC000662273642 412064530 /nfs/dbraw/zinc/06/45/30/412064530.db2.gz XFXZJKNBCQCRQR-YPMHNXCESA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000062911629 171114959 /nfs/dbraw/zinc/11/49/59/171114959.db2.gz DHMPMHAHMOQXAH-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000062911629 171114960 /nfs/dbraw/zinc/11/49/60/171114960.db2.gz DHMPMHAHMOQXAH-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCO[C@@H]1CC1(F)F ZINC000662277905 412068554 /nfs/dbraw/zinc/06/85/54/412068554.db2.gz TWUKGNZEIPJMCX-DTWKUNHWSA-N 2 1 236.306 1.374 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1CC=CC1 ZINC000662277590 412069966 /nfs/dbraw/zinc/06/99/66/412069966.db2.gz QGLXIRVLMMLNBF-WZRBSPASSA-N 2 1 208.349 1.929 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662282239 412073693 /nfs/dbraw/zinc/07/36/93/412073693.db2.gz OAWPCGJAIZOSFB-JHJVBQTASA-N 2 1 238.375 1.628 20 0 BDADMP Cc1nnc([C@@H](C)[NH+]2CCC(CC[NH3+])CC2)[nH]1 ZINC000662283337 412075391 /nfs/dbraw/zinc/07/53/91/412075391.db2.gz IDKCHZDTCYQSOH-SECBINFHSA-N 2 1 237.351 1.235 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662284429 412075976 /nfs/dbraw/zinc/07/59/76/412075976.db2.gz YEZMXBURYLWZCL-MNOVXSKESA-N 2 1 237.347 1.654 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662284429 412075980 /nfs/dbraw/zinc/07/59/80/412075980.db2.gz YEZMXBURYLWZCL-MNOVXSKESA-N 2 1 237.347 1.654 20 0 BDADMP Cc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)c(C)c1 ZINC000662284418 412076091 /nfs/dbraw/zinc/07/60/91/412076091.db2.gz NBEFKYOHCZBMFX-UHFFFAOYSA-N 2 1 248.370 1.508 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000226396226 171305997 /nfs/dbraw/zinc/30/59/97/171305997.db2.gz YKIDYQWIDLQTBN-RYUDHWBXSA-N 2 1 243.395 1.206 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000361038487 171308068 /nfs/dbraw/zinc/30/80/68/171308068.db2.gz PDRUZIFOMQHFAQ-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000361038487 171308069 /nfs/dbraw/zinc/30/80/69/171308069.db2.gz PDRUZIFOMQHFAQ-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361038487 171308071 /nfs/dbraw/zinc/30/80/71/171308071.db2.gz PDRUZIFOMQHFAQ-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397192 171370767 /nfs/dbraw/zinc/37/07/67/171370767.db2.gz CRJKPTLMDMLVAO-SDDRHHMPSA-N 2 1 243.395 1.206 20 0 BDADMP COc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662310868 412093852 /nfs/dbraw/zinc/09/38/52/412093852.db2.gz OKPIKNUCLXVVAH-GFCCVEGCSA-N 2 1 246.354 1.663 20 0 BDADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662310868 412093855 /nfs/dbraw/zinc/09/38/55/412093855.db2.gz OKPIKNUCLXVVAH-GFCCVEGCSA-N 2 1 246.354 1.663 20 0 BDADMP C[NH2+]CCC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662315439 412096101 /nfs/dbraw/zinc/09/61/01/412096101.db2.gz FRYWTUAOMVGOGM-CQSZACIVSA-N 2 1 234.343 1.749 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662315439 412096107 /nfs/dbraw/zinc/09/61/07/412096107.db2.gz FRYWTUAOMVGOGM-CQSZACIVSA-N 2 1 234.343 1.749 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662317605 412097814 /nfs/dbraw/zinc/09/78/14/412097814.db2.gz XVVZGTGUYDSLNH-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662331618 412105308 /nfs/dbraw/zinc/10/53/08/412105308.db2.gz OIWXLXVEWLWTNK-VXGBXAGGSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1CCC[NH2+]C1 ZINC000662332784 412106488 /nfs/dbraw/zinc/10/64/88/412106488.db2.gz XJBNUDGDBHHUOR-NWDGAFQWSA-N 2 1 210.365 1.964 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000665244453 412189753 /nfs/dbraw/zinc/18/97/53/412189753.db2.gz NRBDZOUJPRQUOB-IUCAKERBSA-N 2 1 209.293 1.180 20 0 BDADMP C[C@H]1C[C@H](NCC2([NH3+])CCCC2)CC[N@H+]1C ZINC000665249075 412194901 /nfs/dbraw/zinc/19/49/01/412194901.db2.gz JEHOFVHNWXNJMI-NWDGAFQWSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@H]1CC[NH2+]C1 ZINC000665264616 412207930 /nfs/dbraw/zinc/20/79/30/412207930.db2.gz DUMWNHLJOFRZPE-PWSUYJOCSA-N 2 1 248.374 1.385 20 0 BDADMP Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000665233329 412172611 /nfs/dbraw/zinc/17/26/11/412172611.db2.gz DYIXRFMQGHXLDD-HUUCEWRRSA-N 2 1 245.370 1.985 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000665276102 412217521 /nfs/dbraw/zinc/21/75/21/412217521.db2.gz YLLVSYYIUMVANU-MRVWCRGKSA-N 2 1 240.391 1.922 20 0 BDADMP CCC[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000665274718 412217999 /nfs/dbraw/zinc/21/79/99/412217999.db2.gz XAVLTGVQIYATHJ-RBKKPWLPSA-N 2 1 237.391 1.343 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665277831 412221346 /nfs/dbraw/zinc/22/13/46/412221346.db2.gz MWALQCFAGGWEMA-ATJQQHLPSA-N 2 1 238.375 1.532 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000665280690 412225054 /nfs/dbraw/zinc/22/50/54/412225054.db2.gz JBXLTCHAIDZEEX-MRVWCRGKSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000665280690 412225056 /nfs/dbraw/zinc/22/50/56/412225056.db2.gz JBXLTCHAIDZEEX-MRVWCRGKSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cnccn1 ZINC000665280923 412227036 /nfs/dbraw/zinc/22/70/36/412227036.db2.gz PIKBQBGFBWFGEP-GHMZBOCLSA-N 2 1 222.336 1.501 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCn2ccnc21 ZINC000665282420 412227578 /nfs/dbraw/zinc/22/75/78/412227578.db2.gz XXCNYZMWLVIIIE-GHMZBOCLSA-N 2 1 222.336 1.291 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH2+]C)C1(C)C ZINC000665296029 412230107 /nfs/dbraw/zinc/23/01/07/412230107.db2.gz MAYCQMZBDIROTR-OUAUKWLOSA-N 2 1 214.353 1.388 20 0 BDADMP C[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000662964969 412358156 /nfs/dbraw/zinc/35/81/56/412358156.db2.gz GRSXPGDWTOWANZ-AAEUAGOBSA-N 2 1 249.358 1.013 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129357078 172042337 /nfs/dbraw/zinc/04/23/37/172042337.db2.gz UIDFBPQSVXMYSD-LBPRGKRZSA-N 2 1 236.363 1.214 20 0 BDADMP CCn1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000111696063 172164414 /nfs/dbraw/zinc/16/44/14/172164414.db2.gz KDCHTEKFYJLJKZ-DGCLKSJQSA-N 2 1 236.363 1.462 20 0 BDADMP CCn1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000111696063 172164418 /nfs/dbraw/zinc/16/44/18/172164418.db2.gz KDCHTEKFYJLJKZ-DGCLKSJQSA-N 2 1 236.363 1.462 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000368463266 173026498 /nfs/dbraw/zinc/02/64/98/173026498.db2.gz UAYBWNTVYIGULL-MCIONIFRSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](CCC(C)(C)O)C[C@H]1CCC[NH+](C)C1 ZINC000360436471 173039274 /nfs/dbraw/zinc/03/92/74/173039274.db2.gz IVXUEQNTFZSKPY-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+](CCC(C)(C)O)C[C@H]1CCC[N@H+](C)C1 ZINC000360436471 173039277 /nfs/dbraw/zinc/03/92/77/173039277.db2.gz IVXUEQNTFZSKPY-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+](CCC(C)(C)O)C[C@H]1CCC[N@@H+](C)C1 ZINC000360436471 173039278 /nfs/dbraw/zinc/03/92/78/173039278.db2.gz IVXUEQNTFZSKPY-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@@H+](Cc1ccnc(N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000278344102 173040466 /nfs/dbraw/zinc/04/04/66/173040466.db2.gz GAIONLUXZUDXSM-ZDUSSCGKSA-N 2 1 248.374 1.437 20 0 BDADMP C[N@H+](Cc1ccnc(N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000278344102 173040470 /nfs/dbraw/zinc/04/04/70/173040470.db2.gz GAIONLUXZUDXSM-ZDUSSCGKSA-N 2 1 248.374 1.437 20 0 BDADMP C[NH+](Cc1ccnc(N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000278344102 173040473 /nfs/dbraw/zinc/04/04/73/173040473.db2.gz GAIONLUXZUDXSM-ZDUSSCGKSA-N 2 1 248.374 1.437 20 0 BDADMP C[NH+](Cc1ccnc(N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000278344102 173040474 /nfs/dbraw/zinc/04/04/74/173040474.db2.gz GAIONLUXZUDXSM-ZDUSSCGKSA-N 2 1 248.374 1.437 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cncs2)CC1 ZINC000076674567 173045627 /nfs/dbraw/zinc/04/56/27/173045627.db2.gz HGSORMXJEXEQQP-JTQLQIEISA-N 2 1 225.361 1.717 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cncs2)CC1 ZINC000076674567 173045629 /nfs/dbraw/zinc/04/56/29/173045629.db2.gz HGSORMXJEXEQQP-JTQLQIEISA-N 2 1 225.361 1.717 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)C1CCC1 ZINC000336662440 173050583 /nfs/dbraw/zinc/05/05/83/173050583.db2.gz MRHPAYBFBMLQHS-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)C1CCC1 ZINC000336662440 173050585 /nfs/dbraw/zinc/05/05/85/173050585.db2.gz MRHPAYBFBMLQHS-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)C1CCC1 ZINC000336662440 173050587 /nfs/dbraw/zinc/05/05/87/173050587.db2.gz MRHPAYBFBMLQHS-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](CO)C(C)(C)C ZINC000305704664 173050752 /nfs/dbraw/zinc/05/07/52/173050752.db2.gz XQIIPCANZNQTKP-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](CO)C(C)(C)C ZINC000305704664 173050753 /nfs/dbraw/zinc/05/07/53/173050753.db2.gz XQIIPCANZNQTKP-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](CO)C(C)(C)C ZINC000305704664 173050754 /nfs/dbraw/zinc/05/07/54/173050754.db2.gz XQIIPCANZNQTKP-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSCC1 ZINC000124945387 173052386 /nfs/dbraw/zinc/05/23/86/173052386.db2.gz GHVCSSKASMDPKK-NSHDSACASA-N 2 1 214.378 1.520 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSCC1 ZINC000124945387 173052389 /nfs/dbraw/zinc/05/23/89/173052389.db2.gz GHVCSSKASMDPKK-NSHDSACASA-N 2 1 214.378 1.520 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(C)COC3)CC[C@H]21 ZINC000336689568 173060062 /nfs/dbraw/zinc/06/00/62/173060062.db2.gz HSZZJYRTKZKMMF-QWHCGFSZSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(C)COC3)CC[C@H]21 ZINC000336689568 173060065 /nfs/dbraw/zinc/06/00/65/173060065.db2.gz HSZZJYRTKZKMMF-QWHCGFSZSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(C)COC3)CC[C@H]21 ZINC000336689568 173060067 /nfs/dbraw/zinc/06/00/67/173060067.db2.gz HSZZJYRTKZKMMF-QWHCGFSZSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCN(C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000336053132 173084926 /nfs/dbraw/zinc/08/49/26/173084926.db2.gz ICLRDJOIZZEZSU-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000335642454 173137583 /nfs/dbraw/zinc/13/75/83/173137583.db2.gz HYVQJLMZAGCDDJ-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000335642454 173137582 /nfs/dbraw/zinc/13/75/82/173137582.db2.gz HYVQJLMZAGCDDJ-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCC(C)(C)C)C1 ZINC000308971044 173138093 /nfs/dbraw/zinc/13/80/93/173138093.db2.gz ZMDBULIVRZIPLF-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCC(C)(C)C)C1 ZINC000308971044 173138095 /nfs/dbraw/zinc/13/80/95/173138095.db2.gz ZMDBULIVRZIPLF-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@H]2CCC[C@@H]21 ZINC000353393273 173153066 /nfs/dbraw/zinc/15/30/66/173153066.db2.gz IMXIESDUTQLIEH-CRWXNKLISA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@H]2CCC[C@@H]21 ZINC000353433994 173153568 /nfs/dbraw/zinc/15/35/68/173153568.db2.gz HZNYEXNYTPONCJ-CRWXNKLISA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000358258396 173164819 /nfs/dbraw/zinc/16/48/19/173164819.db2.gz TXYAKFLCRURDRE-MJBXVCDLSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000358258396 173164821 /nfs/dbraw/zinc/16/48/21/173164821.db2.gz TXYAKFLCRURDRE-MJBXVCDLSA-N 2 1 238.375 1.221 20 0 BDADMP C[NH2+]C1CC[NH+](CCc2cccs2)CC1 ZINC000037483470 173323467 /nfs/dbraw/zinc/32/34/67/173323467.db2.gz DKWUCNCKFTXPLL-UHFFFAOYSA-N 2 1 224.373 1.974 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2cc(C)on2)CC1 ZINC000063166132 173338522 /nfs/dbraw/zinc/33/85/22/173338522.db2.gz IIMSQRLRTRHELA-UHFFFAOYSA-N 2 1 223.320 1.414 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000083347787 173348594 /nfs/dbraw/zinc/34/85/94/173348594.db2.gz HAZZCXFQIMKRNZ-UHFFFAOYSA-N 2 1 214.259 1.664 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000083353523 173349794 /nfs/dbraw/zinc/34/97/94/173349794.db2.gz ZNPGXPGUGUFDRM-UHFFFAOYSA-N 2 1 224.304 1.100 20 0 BDADMP C[NH2+]CCN(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000037269481 173353758 /nfs/dbraw/zinc/35/37/58/173353758.db2.gz YPJUILYZTBXAOC-UHFFFAOYSA-N 2 1 237.347 1.358 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000011892019 173381544 /nfs/dbraw/zinc/38/15/44/173381544.db2.gz OPSCRSBOSUFKJQ-CQSZACIVSA-N 2 1 248.370 1.779 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000011891949 173381968 /nfs/dbraw/zinc/38/19/68/173381968.db2.gz QXJKOZUMXHZEPF-GFCCVEGCSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC000011891949 173381970 /nfs/dbraw/zinc/38/19/70/173381970.db2.gz QXJKOZUMXHZEPF-GFCCVEGCSA-N 2 1 234.343 1.737 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000011891928 173382319 /nfs/dbraw/zinc/38/23/19/173382319.db2.gz MILAMYQAISJABT-GFCCVEGCSA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000011891928 173382320 /nfs/dbraw/zinc/38/23/20/173382320.db2.gz MILAMYQAISJABT-GFCCVEGCSA-N 2 1 222.307 1.867 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300360429 174176962 /nfs/dbraw/zinc/17/69/62/174176962.db2.gz YJVBPVVAPZAPNA-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357072313 174180226 /nfs/dbraw/zinc/18/02/26/174180226.db2.gz HDKRAXKPXKFDTA-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP COCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123095619 174282194 /nfs/dbraw/zinc/28/21/94/174282194.db2.gz UFQWBGWFGHEPGW-WDEREUQCSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123095619 174282196 /nfs/dbraw/zinc/28/21/96/174282196.db2.gz UFQWBGWFGHEPGW-WDEREUQCSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123095619 174282199 /nfs/dbraw/zinc/28/21/99/174282199.db2.gz UFQWBGWFGHEPGW-WDEREUQCSA-N 2 1 200.326 1.047 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@H]1CCC[NH2+]C1 ZINC000042370819 174287000 /nfs/dbraw/zinc/28/70/00/174287000.db2.gz ZBPKUTIGAPABQB-ZDUSSCGKSA-N 2 1 228.380 1.590 20 0 BDADMP COCC[NH+]1CCC([NH2+]C[C@H]2CC2(C)C)CC1 ZINC000358144696 174304588 /nfs/dbraw/zinc/30/45/88/174304588.db2.gz XKUVEMPKLGUDDN-GFCCVEGCSA-N 2 1 240.391 1.733 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000336779260 174304805 /nfs/dbraw/zinc/30/48/05/174304805.db2.gz NSEGRBZPMMUATR-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP COCC[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000309037626 174305098 /nfs/dbraw/zinc/30/50/98/174305098.db2.gz JDKRFQYMBAJQDJ-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534990 174379096 /nfs/dbraw/zinc/37/90/96/174379096.db2.gz KXQJBTXWDOJBHO-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891314 175102559 /nfs/dbraw/zinc/10/25/59/175102559.db2.gz KEXJSQLYGNSPTM-LBPRGKRZSA-N 2 1 220.316 1.476 20 0 BDADMP COc1ccccc1C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000051890001 175324416 /nfs/dbraw/zinc/32/44/16/175324416.db2.gz YFBGJQIALDUTLE-GFCCVEGCSA-N 2 1 234.343 1.737 20 0 BDADMP COc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000051890001 175324418 /nfs/dbraw/zinc/32/44/18/175324418.db2.gz YFBGJQIALDUTLE-GFCCVEGCSA-N 2 1 234.343 1.737 20 0 BDADMP COc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994666 175327108 /nfs/dbraw/zinc/32/71/08/175327108.db2.gz CCTMMFZQKYEXOG-HNNXBMFYSA-N 2 1 246.354 1.881 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994666 175327109 /nfs/dbraw/zinc/32/71/09/175327109.db2.gz CCTMMFZQKYEXOG-HNNXBMFYSA-N 2 1 246.354 1.881 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccncc1F ZINC000340508205 175885602 /nfs/dbraw/zinc/88/56/02/175885602.db2.gz YOYRPXIHIXVYRN-SNVBAGLBSA-N 2 1 248.305 1.848 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163422916 176037301 /nfs/dbraw/zinc/03/73/01/176037301.db2.gz CMTUOYVOEGGJQA-WOPDTQHZSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163422916 176037303 /nfs/dbraw/zinc/03/73/03/176037303.db2.gz CMTUOYVOEGGJQA-WOPDTQHZSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC000300414638 176169400 /nfs/dbraw/zinc/16/94/00/176169400.db2.gz NSPWEFBBXKTKHM-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000300414638 176169402 /nfs/dbraw/zinc/16/94/02/176169402.db2.gz NSPWEFBBXKTKHM-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000300414638 176169405 /nfs/dbraw/zinc/16/94/05/176169405.db2.gz NSPWEFBBXKTKHM-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000336674718 176172359 /nfs/dbraw/zinc/17/23/59/176172359.db2.gz BYISUMQCFZSCAH-MBNYWOFBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000336674718 176172361 /nfs/dbraw/zinc/17/23/61/176172361.db2.gz BYISUMQCFZSCAH-MBNYWOFBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1C ZINC000336674718 176172363 /nfs/dbraw/zinc/17/23/63/176172363.db2.gz BYISUMQCFZSCAH-MBNYWOFBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1C ZINC000336674718 176172364 /nfs/dbraw/zinc/17/23/64/176172364.db2.gz BYISUMQCFZSCAH-MBNYWOFBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)O1 ZINC000370722863 176224342 /nfs/dbraw/zinc/22/43/42/176224342.db2.gz UNWDUZXSTGOVJL-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)O1 ZINC000336713023 176224838 /nfs/dbraw/zinc/22/48/38/176224838.db2.gz OCHACNPZQKRABO-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)O1 ZINC000336713023 176224839 /nfs/dbraw/zinc/22/48/39/176224839.db2.gz OCHACNPZQKRABO-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)O1 ZINC000336713023 176224840 /nfs/dbraw/zinc/22/48/40/176224840.db2.gz OCHACNPZQKRABO-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1=CCCOC1 ZINC000336526522 176268830 /nfs/dbraw/zinc/26/88/30/176268830.db2.gz NDGKUJITANXLKI-OCCSQVGLSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1=CCCOC1 ZINC000336526522 176268832 /nfs/dbraw/zinc/26/88/32/176268832.db2.gz NDGKUJITANXLKI-OCCSQVGLSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1=CCCOC1 ZINC000336526522 176268833 /nfs/dbraw/zinc/26/88/33/176268833.db2.gz NDGKUJITANXLKI-OCCSQVGLSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1=CCCOC1 ZINC000336526522 176268835 /nfs/dbraw/zinc/26/88/35/176268835.db2.gz NDGKUJITANXLKI-OCCSQVGLSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000305118722 176269959 /nfs/dbraw/zinc/26/99/59/176269959.db2.gz GIQLZURUDCBUDA-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CSC1(C)C ZINC000336764574 176270464 /nfs/dbraw/zinc/27/04/64/176270464.db2.gz QGURPXQHXTYCLJ-MXWKQRLJSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CSC1(C)C ZINC000336764574 176270466 /nfs/dbraw/zinc/27/04/66/176270466.db2.gz QGURPXQHXTYCLJ-MXWKQRLJSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOCC1CC1 ZINC000359614573 176270487 /nfs/dbraw/zinc/27/04/87/176270487.db2.gz BHQYLRYRRSOQRP-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358308783 176271496 /nfs/dbraw/zinc/27/14/96/176271496.db2.gz ZLVOCVLDUUAMKN-RAIGVLPGSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358308783 176271497 /nfs/dbraw/zinc/27/14/97/176271497.db2.gz ZLVOCVLDUUAMKN-RAIGVLPGSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccncc1 ZINC000048261844 176277949 /nfs/dbraw/zinc/27/79/49/176277949.db2.gz VNXMALUFBDMGFM-NFAWXSAZSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000353484280 176278422 /nfs/dbraw/zinc/27/84/22/176278422.db2.gz JGKVKPHUXWZPFG-OXHZDVMGSA-N 2 1 240.391 1.323 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000361401053 176278451 /nfs/dbraw/zinc/27/84/51/176278451.db2.gz UYLGNUZIYYVCEN-MQYQWHSLSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000362073478 176289113 /nfs/dbraw/zinc/28/91/13/176289113.db2.gz WYAHLRMOTRRBFA-ZIAGYGMSSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251694896 176294700 /nfs/dbraw/zinc/29/47/00/176294700.db2.gz IMXDXAUKJSDLQD-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000021949363 176298209 /nfs/dbraw/zinc/29/82/09/176298209.db2.gz OBIXGXWSTBYACR-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251663815 176299791 /nfs/dbraw/zinc/29/97/91/176299791.db2.gz GZZXPBBUQKJQTN-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000021949366 176300108 /nfs/dbraw/zinc/30/01/08/176300108.db2.gz OBIXGXWSTBYACR-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000123479003 176302032 /nfs/dbraw/zinc/30/20/32/176302032.db2.gz MZPWLMOHSKYRQO-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@]1(C)C[NH3+] ZINC000309480604 176308078 /nfs/dbraw/zinc/30/80/78/176308078.db2.gz ZHLUDIOQGHFJSO-DGCLKSJQSA-N 2 1 219.332 1.498 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@@H]1[NH3+] ZINC000235380746 176319728 /nfs/dbraw/zinc/31/97/28/176319728.db2.gz DEHSTNYVUFKKCW-APPZFPTMSA-N 2 1 211.696 1.518 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000336773820 176354730 /nfs/dbraw/zinc/35/47/30/176354730.db2.gz ZFRSRHNHIQRAAK-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000304581787 176356080 /nfs/dbraw/zinc/35/60/80/176356080.db2.gz YLYIQEXMIBTMBT-NQBHXWOUSA-N 2 1 240.416 1.812 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000336644266 176363161 /nfs/dbraw/zinc/36/31/61/176363161.db2.gz CDACBSYHSJCCCB-WZRBSPASSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336644266 176363163 /nfs/dbraw/zinc/36/31/63/176363163.db2.gz CDACBSYHSJCCCB-WZRBSPASSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336644266 176363166 /nfs/dbraw/zinc/36/31/66/176363166.db2.gz CDACBSYHSJCCCB-WZRBSPASSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336644266 176363167 /nfs/dbraw/zinc/36/31/67/176363167.db2.gz CDACBSYHSJCCCB-WZRBSPASSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336644266 176363169 /nfs/dbraw/zinc/36/31/69/176363169.db2.gz CDACBSYHSJCCCB-WZRBSPASSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)CC[N@H+]1C ZINC000300234468 176375974 /nfs/dbraw/zinc/37/59/74/176375974.db2.gz VCDSWLSTSXNZJF-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC2)CC[N@H+]1C ZINC000336728131 176376353 /nfs/dbraw/zinc/37/63/53/176376353.db2.gz CIUYYDMVPBTAFL-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[N@@H+]1C ZINC000090721116 176378108 /nfs/dbraw/zinc/37/81/08/176378108.db2.gz KIEVUBIJLPRYSG-NEPJUHHUSA-N 2 1 221.348 1.597 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[N@H+]1C ZINC000090721116 176378110 /nfs/dbraw/zinc/37/81/10/176378110.db2.gz KIEVUBIJLPRYSG-NEPJUHHUSA-N 2 1 221.348 1.597 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCCNC1CC[NH2+]CC1 ZINC000038040546 177075311 /nfs/dbraw/zinc/07/53/11/177075311.db2.gz SPTMIHQLYFZYMV-ZDUSSCGKSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000357839233 177233550 /nfs/dbraw/zinc/23/35/50/177233550.db2.gz HUKKCHGERCXPMP-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000336676998 177233602 /nfs/dbraw/zinc/23/36/02/177233602.db2.gz BICKYZBRCVMHID-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000359364971 177235110 /nfs/dbraw/zinc/23/51/10/177235110.db2.gz PFZHDVRYURFJLX-QWHCGFSZSA-N 2 1 241.423 1.504 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000359364971 177235112 /nfs/dbraw/zinc/23/51/12/177235112.db2.gz PFZHDVRYURFJLX-QWHCGFSZSA-N 3 1 241.423 1.504 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000359364971 177235114 /nfs/dbraw/zinc/23/51/14/177235114.db2.gz PFZHDVRYURFJLX-QWHCGFSZSA-N 3 1 241.423 1.504 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223223558 177247028 /nfs/dbraw/zinc/24/70/28/177247028.db2.gz ONCCOLGQBLIQFL-QWRGUYRKSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC[C@@H]1[NH3+] ZINC000336537748 177263149 /nfs/dbraw/zinc/26/31/49/177263149.db2.gz IEBAYBHRRZGWPX-GWCFXTLKSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336676085 177312601 /nfs/dbraw/zinc/31/26/01/177312601.db2.gz CFAIDCLMASFNLX-MBNYWOFBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336676085 177312602 /nfs/dbraw/zinc/31/26/02/177312602.db2.gz CFAIDCLMASFNLX-MBNYWOFBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@H](C)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336676085 177312603 /nfs/dbraw/zinc/31/26/03/177312603.db2.gz CFAIDCLMASFNLX-MBNYWOFBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@H](C)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336676085 177312604 /nfs/dbraw/zinc/31/26/04/177312604.db2.gz CFAIDCLMASFNLX-MBNYWOFBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccncc2)CC[NH2+]1 ZINC000235698009 177323768 /nfs/dbraw/zinc/32/37/68/177323768.db2.gz YUYTXUUWKAKWLV-JSGCOSHPSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CCc2ccncc2)CC[NH2+]1 ZINC000235723739 177360982 /nfs/dbraw/zinc/36/09/82/177360982.db2.gz HANPSVVASNAOPF-DZGCQCFKSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@H]1C[C@H](C[NH+]2CCC(N(C)C)CC2)CC[NH2+]1 ZINC000235661483 177362716 /nfs/dbraw/zinc/36/27/16/177362716.db2.gz NKQKUGNGRXWKKA-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCC2)CC[N@H+]1C ZINC000358314110 177369267 /nfs/dbraw/zinc/36/92/67/177369267.db2.gz FAMIASFSXBLLBT-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C[C@H](C)O1 ZINC000368091202 177371906 /nfs/dbraw/zinc/37/19/06/177371906.db2.gz VVHLEUKJCHSGQR-USZNOCQGSA-N 2 1 249.358 1.813 20 0 BDADMP C[C@H]1Cc2ccccc2C[N@H+]1CCC[NH3+] ZINC000082791056 177389709 /nfs/dbraw/zinc/38/97/09/177389709.db2.gz MNVVJXZMRZPVJE-NSHDSACASA-N 2 1 204.317 1.782 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225713187 487638302 /nfs/dbraw/zinc/63/83/02/487638302.db2.gz RLWNKAQYLLBYLB-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000486932685 225274339 /nfs/dbraw/zinc/27/43/39/225274339.db2.gz HHKXHKQTALDFGJ-CHWSQXEVSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484512566 225249180 /nfs/dbraw/zinc/24/91/80/225249180.db2.gz SEUVRQFXMIAMEB-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484512566 225249182 /nfs/dbraw/zinc/24/91/82/225249182.db2.gz SEUVRQFXMIAMEB-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000400325745 226340360 /nfs/dbraw/zinc/34/03/60/226340360.db2.gz DJSBVVVSPLCRML-VWYCJHECSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400322419 226340505 /nfs/dbraw/zinc/34/05/05/226340505.db2.gz CIXZKMWVNBBSNS-BDAKNGLRSA-N 2 1 240.269 1.295 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400499598 226344866 /nfs/dbraw/zinc/34/48/66/226344866.db2.gz FMXNORZHYJKXMZ-WOPDTQHZSA-N 2 1 222.336 1.002 20 0 BDADMP C[C@@H]([NH2+]CCOCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000400502388 226345168 /nfs/dbraw/zinc/34/51/68/226345168.db2.gz IWIDMVNSZDVWHI-PWSUYJOCSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400541959 226345984 /nfs/dbraw/zinc/34/59/84/226345984.db2.gz KUKJULOLJIJHHQ-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400724551 226350590 /nfs/dbraw/zinc/35/05/90/226350590.db2.gz PCWOHMGUYAPRSN-WDEREUQCSA-N 2 1 241.379 1.021 20 0 BDADMP C[NH2+][C@H]1CCCN(CCCc2c[nH+]cn2C)C1 ZINC000314013544 487657334 /nfs/dbraw/zinc/65/73/34/487657334.db2.gz OAYGUKYWVNLVJT-LBPRGKRZSA-N 2 1 236.363 1.037 20 0 BDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000343503425 487664911 /nfs/dbraw/zinc/66/49/11/487664911.db2.gz FQFDIAVGBBKLAP-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000314870752 487668933 /nfs/dbraw/zinc/66/89/33/487668933.db2.gz KHUXQGWFOYXQBT-CYBMUJFWSA-N 2 1 236.363 1.023 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000383926243 487682194 /nfs/dbraw/zinc/68/21/94/487682194.db2.gz DSRQGENTWMCAQP-HZSPNIEDSA-N 2 1 242.407 1.950 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CCC[C@@H]1C ZINC000383926243 487682184 /nfs/dbraw/zinc/68/21/84/487682184.db2.gz DSRQGENTWMCAQP-HZSPNIEDSA-N 2 1 242.407 1.950 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000383926243 487682188 /nfs/dbraw/zinc/68/21/88/487682188.db2.gz DSRQGENTWMCAQP-HZSPNIEDSA-N 2 1 242.407 1.950 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(CO)CCCCC1 ZINC000678972630 487715060 /nfs/dbraw/zinc/71/50/60/487715060.db2.gz OETRZCXXOYWDSC-ZDUSSCGKSA-N 2 1 240.391 1.756 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717773 487720920 /nfs/dbraw/zinc/72/09/20/487720920.db2.gz YHQAWUMSEZQVSP-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717781 487721224 /nfs/dbraw/zinc/72/12/24/487721224.db2.gz YHQAWUMSEZQVSP-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP Fc1ccccc1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000681111991 487730893 /nfs/dbraw/zinc/73/08/93/487730893.db2.gz QSVBBQCXNXTCHV-STQMWFEESA-N 2 1 234.318 1.519 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000226397238 487731391 /nfs/dbraw/zinc/73/13/91/487731391.db2.gz IFUKYRHLCVZSKX-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000233782160 487743551 /nfs/dbraw/zinc/74/35/51/487743551.db2.gz OVGQLVPDYDSWTL-VWYCJHECSA-N 2 1 212.337 1.142 20 0 BDADMP CCc1cc(N[C@@H]2CCC[NH2+]CC2)nc(C)[nH+]1 ZINC000226471239 487752766 /nfs/dbraw/zinc/75/27/66/487752766.db2.gz RIRCZIIGVMUVNZ-GFCCVEGCSA-N 2 1 234.347 1.901 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000251294011 487754050 /nfs/dbraw/zinc/75/40/50/487754050.db2.gz WRGGGCRRRIEAIO-NEPJUHHUSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccncc2)C1 ZINC000251294011 487754057 /nfs/dbraw/zinc/75/40/57/487754057.db2.gz WRGGGCRRRIEAIO-NEPJUHHUSA-N 2 1 219.332 1.684 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000251340256 487754665 /nfs/dbraw/zinc/75/46/65/487754665.db2.gz QALHXJGVPDMIGJ-XQQFMLRXSA-N 2 1 208.349 1.860 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000251340254 487754807 /nfs/dbraw/zinc/75/48/07/487754807.db2.gz QALHXJGVPDMIGJ-UPJWGTAASA-N 2 1 208.349 1.860 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675901420 487790596 /nfs/dbraw/zinc/79/05/96/487790596.db2.gz GCYYUARVGOZCBH-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675901420 487790600 /nfs/dbraw/zinc/79/06/00/487790600.db2.gz GCYYUARVGOZCBH-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ncc[nH]1 ZINC000414189214 487797384 /nfs/dbraw/zinc/79/73/84/487797384.db2.gz QQNIGMCLKKBXQO-RYUDHWBXSA-N 2 1 236.363 1.792 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC000309238387 487801110 /nfs/dbraw/zinc/80/11/10/487801110.db2.gz KAAUKSSVCYQVQM-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC000309238387 487801116 /nfs/dbraw/zinc/80/11/16/487801116.db2.gz KAAUKSSVCYQVQM-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC000309238387 487801121 /nfs/dbraw/zinc/80/11/21/487801121.db2.gz KAAUKSSVCYQVQM-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP [NH3+]CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000414704878 487818883 /nfs/dbraw/zinc/81/88/83/487818883.db2.gz DPGBUURULUXFKY-HNNXBMFYSA-N 2 1 248.370 1.608 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC[NH3+])C[C@H]1n1ccnc1 ZINC000414709020 487819420 /nfs/dbraw/zinc/81/94/20/487819420.db2.gz OKPLVPBWFGQAKQ-VXGBXAGGSA-N 2 1 222.336 1.115 20 0 BDADMP C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC[NH3+])C1 ZINC000414748524 487821364 /nfs/dbraw/zinc/82/13/64/487821364.db2.gz WRDYGDWUMHDZGH-WCQYABFASA-N 2 1 219.332 1.813 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419310 487824133 /nfs/dbraw/zinc/82/41/33/487824133.db2.gz YYIFFNWWCIKGGI-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252792465 487834253 /nfs/dbraw/zinc/83/42/53/487834253.db2.gz VNXORVDSBRUFLW-WDEREUQCSA-N 2 1 236.363 1.152 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCOC)CC[C@H]1[NH3+] ZINC000252874085 487837179 /nfs/dbraw/zinc/83/71/79/487837179.db2.gz VWBGBWSKSPZLEW-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400331979 528865089 /nfs/dbraw/zinc/86/50/89/528865089.db2.gz DZFDJCBVUFUGPY-KGYLQXTDSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](CCCO)C2CC2)CC[NH2+]1 ZINC000666640274 487848616 /nfs/dbraw/zinc/84/86/16/487848616.db2.gz RDZBRWVLQXNRSC-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CN(CCC[NH+](C)C)Cc1c[nH+]c2n1CCC2 ZINC000668156310 487855384 /nfs/dbraw/zinc/85/53/84/487855384.db2.gz MHLMGXXXYFOZNK-UHFFFAOYSA-N 2 1 236.363 1.213 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000666689055 487860658 /nfs/dbraw/zinc/86/06/58/487860658.db2.gz XDXQFFLIUFEFNZ-ZDUSSCGKSA-N 2 1 220.316 1.878 20 0 BDADMP Cc1cn2c(n1)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000666699041 487861645 /nfs/dbraw/zinc/86/16/45/487861645.db2.gz CFFCDUCNLVGHPO-DGCLKSJQSA-N 2 1 248.374 1.395 20 0 BDADMP Cc1cn2c(n1)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000666699041 487861650 /nfs/dbraw/zinc/86/16/50/487861650.db2.gz CFFCDUCNLVGHPO-DGCLKSJQSA-N 2 1 248.374 1.395 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000666746338 487870811 /nfs/dbraw/zinc/87/08/11/487870811.db2.gz QZAHTFYXJYIJBC-JSGCOSHPSA-N 2 1 246.354 1.880 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cnc2ccccn12 ZINC000666750869 487870820 /nfs/dbraw/zinc/87/08/20/487870820.db2.gz SETZZCCYBYMARJ-UHFFFAOYSA-N 2 1 218.304 1.161 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403790140 487887561 /nfs/dbraw/zinc/88/75/61/487887561.db2.gz YDYSLBONFGAKMB-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403790140 487887567 /nfs/dbraw/zinc/88/75/67/487887567.db2.gz YDYSLBONFGAKMB-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666831971 487888532 /nfs/dbraw/zinc/88/85/32/487888532.db2.gz SHYUHBWTOCOVIT-VIFPVBQESA-N 2 1 236.294 1.300 20 0 BDADMP Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)co1 ZINC000386810235 487895937 /nfs/dbraw/zinc/89/59/37/487895937.db2.gz NUPRFQGXLZAJAA-CQSZACIVSA-N 2 1 249.358 1.947 20 0 BDADMP CC(C)N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000094009633 487916449 /nfs/dbraw/zinc/91/64/49/487916449.db2.gz LDVCKMWRJNKETE-UHFFFAOYSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000157895186 487927867 /nfs/dbraw/zinc/92/78/67/487927867.db2.gz CDUMVBXKIJGCDL-STQMWFEESA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000404662946 487930968 /nfs/dbraw/zinc/93/09/68/487930968.db2.gz XHHAILUZVBISLW-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP FC1(F)C[C@@]12CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652364402 487934097 /nfs/dbraw/zinc/93/40/97/487934097.db2.gz MUIURQIFUCKPNC-WDEREUQCSA-N 2 1 230.302 1.717 20 0 BDADMP COc1ccc2c(c1)CCC[N@H+](CCC[NH3+])C2 ZINC000562746248 323029814 /nfs/dbraw/zinc/02/98/14/323029814.db2.gz DYICJYMDXCVHDO-UHFFFAOYSA-N 2 1 234.343 1.792 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000570422891 323059136 /nfs/dbraw/zinc/05/91/36/323059136.db2.gz JJVPIOGTQNBZKW-NEPJUHHUSA-N 2 1 244.342 1.698 20 0 BDADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221675604 323090895 /nfs/dbraw/zinc/09/08/95/323090895.db2.gz PSPOBDYMHQGCPN-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CO1 ZINC000563121836 323093535 /nfs/dbraw/zinc/09/35/35/323093535.db2.gz GYGBQMSGZBYPJX-ZYHUDNBSSA-N 2 1 235.331 1.415 20 0 BDADMP CCc1cc(NCC(C)(C)[NH2+]C)nc(C)[nH+]1 ZINC000309932288 323122195 /nfs/dbraw/zinc/12/21/95/323122195.db2.gz YLXGQTITSAICDE-UHFFFAOYSA-N 2 1 222.336 1.757 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000563528761 323129095 /nfs/dbraw/zinc/12/90/95/323129095.db2.gz FAAJUUOQQIWFKI-JHJVBQTASA-N 2 1 228.380 1.323 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000571225900 323138689 /nfs/dbraw/zinc/13/86/89/323138689.db2.gz DTNCPASGLWPPQV-STQMWFEESA-N 2 1 244.342 1.694 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CC2)[C@@H](C)C1 ZINC000249777565 323139954 /nfs/dbraw/zinc/13/99/54/323139954.db2.gz CJLGCCPOVOYNCQ-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CC1(O)CCC1 ZINC000571295460 323140493 /nfs/dbraw/zinc/14/04/93/323140493.db2.gz YOWUNYUHERIJFJ-UHFFFAOYSA-N 2 1 237.347 1.200 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[NH2+]1 ZINC000414668580 323151164 /nfs/dbraw/zinc/15/11/64/323151164.db2.gz JILMNXHNECIXPP-DGTMBMJNSA-N 3 1 237.391 1.044 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000305630848 323171238 /nfs/dbraw/zinc/17/12/38/323171238.db2.gz MLCMERUGQGCOQA-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)C[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000308824076 323179145 /nfs/dbraw/zinc/17/91/45/323179145.db2.gz DCQLHLAVUKLPJQ-LLVKDONJSA-N 2 1 209.337 1.987 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000395158488 323189364 /nfs/dbraw/zinc/18/93/64/323189364.db2.gz MRQMNAQRAACVMK-UMSGYPCISA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)C(C)C)[C@@H](C)[NH3+] ZINC000399377390 323205327 /nfs/dbraw/zinc/20/53/27/323205327.db2.gz BREXNHKAEMDZRS-NEPJUHHUSA-N 2 1 243.395 1.062 20 0 BDADMP C[N@@H+](C[C@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000328460290 323251656 /nfs/dbraw/zinc/25/16/56/323251656.db2.gz GYGFEHSPBDWGQJ-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000325036973 323308417 /nfs/dbraw/zinc/30/84/17/323308417.db2.gz ODMPYDHXVKSNRX-STQMWFEESA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000309160553 323321192 /nfs/dbraw/zinc/32/11/92/323321192.db2.gz YWCGGWHIOWWUKV-SNVBAGLBSA-N 2 1 209.337 1.987 20 0 BDADMP C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000309225256 323330771 /nfs/dbraw/zinc/33/07/71/323330771.db2.gz RPERTFVZCWPWBE-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C)CC1 ZINC000309265657 323337177 /nfs/dbraw/zinc/33/71/77/323337177.db2.gz QBZXEXLZBSAJMX-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000309265657 323337182 /nfs/dbraw/zinc/33/71/82/323337182.db2.gz QBZXEXLZBSAJMX-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C)CC1 ZINC000309265657 323337186 /nfs/dbraw/zinc/33/71/86/323337186.db2.gz QBZXEXLZBSAJMX-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@H](C[NH2+]C1CC[NH+](C)CC1)OCC ZINC000527748387 323676742 /nfs/dbraw/zinc/67/67/42/323676742.db2.gz VVNNUJFCGDXQEK-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000122317232 324041006 /nfs/dbraw/zinc/04/10/06/324041006.db2.gz ASHFCNFVAAOVJL-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000122317232 324041008 /nfs/dbraw/zinc/04/10/08/324041008.db2.gz ASHFCNFVAAOVJL-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[NH+](C)C)c1 ZINC000130235214 325027507 /nfs/dbraw/zinc/02/75/07/325027507.db2.gz DXJXJARHMJIXHN-UHFFFAOYSA-N 2 1 249.358 1.557 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000130451251 325053381 /nfs/dbraw/zinc/05/33/81/325053381.db2.gz MHQFTEXEWLOXSH-OLZOCXBDSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000130451251 325053384 /nfs/dbraw/zinc/05/33/84/325053384.db2.gz MHQFTEXEWLOXSH-OLZOCXBDSA-N 2 1 239.407 1.541 20 0 BDADMP c1ncc(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000131624376 325171758 /nfs/dbraw/zinc/17/17/58/325171758.db2.gz HLFPNNDHDMFPGI-SECBINFHSA-N 2 1 211.334 1.375 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]1(C)CO ZINC000546104143 325265464 /nfs/dbraw/zinc/26/54/64/325265464.db2.gz HJGXGFIBWVJQBF-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]1(C)CO ZINC000546104143 325265465 /nfs/dbraw/zinc/26/54/65/325265465.db2.gz HJGXGFIBWVJQBF-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP COCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860164 325318067 /nfs/dbraw/zinc/31/80/67/325318067.db2.gz VFKBRDPFNPTBIW-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP COCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860164 325318070 /nfs/dbraw/zinc/31/80/70/325318070.db2.gz VFKBRDPFNPTBIW-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP COCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860164 325318071 /nfs/dbraw/zinc/31/80/71/325318071.db2.gz VFKBRDPFNPTBIW-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP COCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860164 325318074 /nfs/dbraw/zinc/31/80/74/325318074.db2.gz VFKBRDPFNPTBIW-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000566088416 325992235 /nfs/dbraw/zinc/99/22/35/325992235.db2.gz NALTZXQVVBVBNA-NEPJUHHUSA-N 3 1 213.369 1.092 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566483299 326056330 /nfs/dbraw/zinc/05/63/30/326056330.db2.gz UGURLOVPAYJQMJ-MELADBBJSA-N 2 1 241.423 1.966 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C(C1CC1)C1CC1 ZINC000153741222 326111050 /nfs/dbraw/zinc/11/10/50/326111050.db2.gz KYCXFFZTFWTHFY-UHFFFAOYSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCC[C@H](CNCc2ccncc2F)C1 ZINC000567322334 326160114 /nfs/dbraw/zinc/16/01/14/326160114.db2.gz DXXJKNFESVIHDH-LLVKDONJSA-N 2 1 237.322 1.652 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752461 326255589 /nfs/dbraw/zinc/25/55/89/326255589.db2.gz LHSAVWLWUDBZIY-YVECIDJPSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752461 326255591 /nfs/dbraw/zinc/25/55/91/326255591.db2.gz LHSAVWLWUDBZIY-YVECIDJPSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000157112755 326257353 /nfs/dbraw/zinc/25/73/53/326257353.db2.gz JWHMCUBBZNEYLN-YPMHNXCESA-N 2 1 221.348 1.455 20 0 BDADMP Cc1nccn1CCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568162144 326316531 /nfs/dbraw/zinc/31/65/31/326316531.db2.gz PBRBKWNMMBKRFE-AAEUAGOBSA-N 2 1 236.363 1.393 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)on1 ZINC000568499283 326359669 /nfs/dbraw/zinc/35/96/69/326359669.db2.gz CYFWGUWRTBDCMO-ZWNOBZJWSA-N 2 1 237.347 1.715 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000568856594 326379424 /nfs/dbraw/zinc/37/94/24/326379424.db2.gz AHSYPFYPJULYFM-XDQVBPFNSA-N 2 1 239.407 1.624 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000165626865 326424758 /nfs/dbraw/zinc/42/47/58/326424758.db2.gz XZBDEIMZTDOJAM-AAEUAGOBSA-N 2 1 237.347 1.596 20 0 BDADMP CC[N@H+]1CCN(c2ccnc(C)n2)C[C@@H]1C ZINC000677152981 487984031 /nfs/dbraw/zinc/98/40/31/487984031.db2.gz LIVIWFZLSYXKEC-JTQLQIEISA-N 2 1 220.320 1.315 20 0 BDADMP CC[C@H]1C[N@@H+](CCCOC)CC[C@@H]1[NH3+] ZINC000147417447 488015569 /nfs/dbraw/zinc/01/55/69/488015569.db2.gz AAOVAPLQARYOGN-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000045706801 488026786 /nfs/dbraw/zinc/02/67/86/488026786.db2.gz NTVNTMFXQSKBCA-OUAUKWLOSA-N 2 1 200.326 1.081 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000663510207 488055098 /nfs/dbraw/zinc/05/50/98/488055098.db2.gz CRAQNDPFPLYBFB-SMDDNHRTSA-N 2 1 218.344 1.741 20 0 BDADMP c1cncc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257649751 488074998 /nfs/dbraw/zinc/07/49/98/488074998.db2.gz CZMBBPUCVLWUKD-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP c1cncc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257649751 488075001 /nfs/dbraw/zinc/07/50/01/488075001.db2.gz CZMBBPUCVLWUKD-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037240177 488078393 /nfs/dbraw/zinc/07/83/93/488078393.db2.gz NKMJXVXXTXAAOL-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000677603300 488084059 /nfs/dbraw/zinc/08/40/59/488084059.db2.gz YMVWZCYQOGVULW-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000677603300 488084061 /nfs/dbraw/zinc/08/40/61/488084061.db2.gz YMVWZCYQOGVULW-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000677603300 488084064 /nfs/dbraw/zinc/08/40/64/488084064.db2.gz YMVWZCYQOGVULW-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000389253512 488085041 /nfs/dbraw/zinc/08/50/41/488085041.db2.gz NEFRJFHHLQVUGP-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCO2)[C@H](C)C1 ZINC000675743545 488101040 /nfs/dbraw/zinc/10/10/40/488101040.db2.gz ZUZOTNRZXKBLBP-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667768840 488114489 /nfs/dbraw/zinc/11/44/89/488114489.db2.gz BJZWFEBZYIHVDV-STQMWFEESA-N 2 1 224.348 1.238 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667775317 488117630 /nfs/dbraw/zinc/11/76/30/488117630.db2.gz JATVTJIJTIFOJC-UONOGXRCSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667775315 488117922 /nfs/dbraw/zinc/11/79/22/488117922.db2.gz JATVTJIJTIFOJC-KBPBESRZSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](CC)[C@H](C)C1 ZINC000683141630 488118318 /nfs/dbraw/zinc/11/83/18/488118318.db2.gz IWUBNICVLYIRKM-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000233504342 488126728 /nfs/dbraw/zinc/12/67/28/488126728.db2.gz JHGIPCPNOWNJRB-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[NH+]1CCC([NH2+]C2([C@@H](C)O)CC2)CC1 ZINC000668698364 488130419 /nfs/dbraw/zinc/13/04/19/488130419.db2.gz AVEGDFMUICKISW-LLVKDONJSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H](O)C1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000668698463 488130497 /nfs/dbraw/zinc/13/04/97/488130497.db2.gz CGMAMEOCQFQQSD-SRVKXCTJSA-N 2 1 224.348 1.116 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@H](C)CO)CC1 ZINC000121132889 490076846 /nfs/dbraw/zinc/07/68/46/490076846.db2.gz PSHYNCPPDIXRHM-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)CO)CC1 ZINC000121132889 490076850 /nfs/dbraw/zinc/07/68/50/490076850.db2.gz PSHYNCPPDIXRHM-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)CO)CC1 ZINC000121132889 490076853 /nfs/dbraw/zinc/07/68/53/490076853.db2.gz PSHYNCPPDIXRHM-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000086729729 487539567 /nfs/dbraw/zinc/53/95/67/487539567.db2.gz LPRMNTXLTRDVKL-KBPBESRZSA-N 2 1 216.328 1.495 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1C1CC1)C1CC1 ZINC000685562394 487545730 /nfs/dbraw/zinc/54/57/30/487545730.db2.gz CKSLWCLFCUTMBO-KGLIPLIRSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1C1CC1)C1CC1 ZINC000685562394 487545734 /nfs/dbraw/zinc/54/57/34/487545734.db2.gz CKSLWCLFCUTMBO-KGLIPLIRSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CC1)C1CC1 ZINC000685562394 487545737 /nfs/dbraw/zinc/54/57/37/487545737.db2.gz CKSLWCLFCUTMBO-KGLIPLIRSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1C1CC1)C1CC1 ZINC000685562394 487545742 /nfs/dbraw/zinc/54/57/42/487545742.db2.gz CKSLWCLFCUTMBO-KGLIPLIRSA-N 2 1 238.375 1.316 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000685463067 487530447 /nfs/dbraw/zinc/53/04/47/487530447.db2.gz OTHLWBCTDRKRGW-NSHDSACASA-N 2 1 231.303 1.133 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCOC2)C1 ZINC000674302278 487554295 /nfs/dbraw/zinc/55/42/95/487554295.db2.gz KZNXBUTVAFWUQW-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302278 487554300 /nfs/dbraw/zinc/55/43/00/487554300.db2.gz KZNXBUTVAFWUQW-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302278 487554307 /nfs/dbraw/zinc/55/43/07/487554307.db2.gz KZNXBUTVAFWUQW-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H](NCC2=CCCOC2)C1 ZINC000657562211 488134778 /nfs/dbraw/zinc/13/47/78/488134778.db2.gz LNFIDPRSZMJVRR-CYBMUJFWSA-N 2 1 238.375 1.796 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000324113616 487532927 /nfs/dbraw/zinc/53/29/27/487532927.db2.gz FKKJBLVAJXVDDE-QWHCGFSZSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000324113616 487532930 /nfs/dbraw/zinc/53/29/30/487532930.db2.gz FKKJBLVAJXVDDE-QWHCGFSZSA-N 2 1 226.364 1.220 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000380973044 487492349 /nfs/dbraw/zinc/49/23/49/487492349.db2.gz AWMRLGLWQRJVHH-CYBMUJFWSA-N 2 1 230.396 1.808 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000380973044 487492352 /nfs/dbraw/zinc/49/23/52/487492352.db2.gz AWMRLGLWQRJVHH-CYBMUJFWSA-N 2 1 230.396 1.808 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000380973044 487492355 /nfs/dbraw/zinc/49/23/55/487492355.db2.gz AWMRLGLWQRJVHH-CYBMUJFWSA-N 2 1 230.396 1.808 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257597 487493487 /nfs/dbraw/zinc/49/34/87/487493487.db2.gz DYNTWWBBJDSQHD-GRYCIOLGSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+](CCC(C)(C)C1CC1)C[C@H](O)C[NH3+] ZINC000405951004 487496806 /nfs/dbraw/zinc/49/68/06/487496806.db2.gz GCMUXZLXEMWQLD-LLVKDONJSA-N 2 1 214.353 1.064 20 0 BDADMP CCC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000381123588 487496961 /nfs/dbraw/zinc/49/69/61/487496961.db2.gz JBDGCPVNOXUEDK-LBPRGKRZSA-N 2 1 230.396 1.808 20 0 BDADMP CCC(C)(C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000381123588 487496969 /nfs/dbraw/zinc/49/69/69/487496969.db2.gz JBDGCPVNOXUEDK-LBPRGKRZSA-N 2 1 230.396 1.808 20 0 BDADMP CCC(C)(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381123588 487496976 /nfs/dbraw/zinc/49/69/76/487496976.db2.gz JBDGCPVNOXUEDK-LBPRGKRZSA-N 2 1 230.396 1.808 20 0 BDADMP CCC(C)(C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000381123587 487497279 /nfs/dbraw/zinc/49/72/79/487497279.db2.gz JBDGCPVNOXUEDK-GFCCVEGCSA-N 2 1 230.396 1.808 20 0 BDADMP CCC(C)(C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000381123587 487497284 /nfs/dbraw/zinc/49/72/84/487497284.db2.gz JBDGCPVNOXUEDK-GFCCVEGCSA-N 2 1 230.396 1.808 20 0 BDADMP CCC(C)(C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000381123587 487497289 /nfs/dbraw/zinc/49/72/89/487497289.db2.gz JBDGCPVNOXUEDK-GFCCVEGCSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)CO1 ZINC000657980690 487508047 /nfs/dbraw/zinc/50/80/47/487508047.db2.gz CYKJRAFSSRHHAY-JQWIXIFHSA-N 2 1 223.320 1.120 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCSCC1 ZINC000657980805 487508542 /nfs/dbraw/zinc/50/85/42/487508542.db2.gz DRIAMSKSFMXDER-LLVKDONJSA-N 2 1 239.388 1.838 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000300367515 487779375 /nfs/dbraw/zinc/77/93/75/487779375.db2.gz KWTCGFSWGBFBBW-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP COc1ccc(CC[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258931214 488143996 /nfs/dbraw/zinc/14/39/96/488143996.db2.gz VLQFXNNZXWADPK-UHFFFAOYSA-N 2 1 236.359 1.907 20 0 BDADMP COc1ccc(CC[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258931214 488144001 /nfs/dbraw/zinc/14/40/01/488144001.db2.gz VLQFXNNZXWADPK-UHFFFAOYSA-N 2 1 236.359 1.907 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000380145004 488175569 /nfs/dbraw/zinc/17/55/69/488175569.db2.gz HDYLLEYHSVZEBB-RDBSUJKOSA-N 2 1 242.407 1.808 20 0 BDADMP CC1(C)CC[N@@H+](CCC[NH3+])CCS1 ZINC000231036825 488179837 /nfs/dbraw/zinc/17/98/37/488179837.db2.gz BTYKMVQBEGKNQG-UHFFFAOYSA-N 2 1 202.367 1.553 20 0 BDADMP c1cc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n[nH]1 ZINC000178959215 488187190 /nfs/dbraw/zinc/18/71/90/488187190.db2.gz SQECTNPXDNNOMJ-ZDUSSCGKSA-N 2 1 248.374 1.589 20 0 BDADMP c1cc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)[nH]n1 ZINC000178959215 488187193 /nfs/dbraw/zinc/18/71/93/488187193.db2.gz SQECTNPXDNNOMJ-ZDUSSCGKSA-N 2 1 248.374 1.589 20 0 BDADMP c1cc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)[nH]n1 ZINC000178959215 488187196 /nfs/dbraw/zinc/18/71/96/488187196.db2.gz SQECTNPXDNNOMJ-ZDUSSCGKSA-N 2 1 248.374 1.589 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)C1CC1 ZINC000678077149 488191906 /nfs/dbraw/zinc/19/19/06/488191906.db2.gz KAYFLPXHAHDHDW-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)C1CC1 ZINC000678077149 488191910 /nfs/dbraw/zinc/19/19/10/488191910.db2.gz KAYFLPXHAHDHDW-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)C1CC1 ZINC000678077149 488191912 /nfs/dbraw/zinc/19/19/12/488191912.db2.gz KAYFLPXHAHDHDW-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCC2CCC2)CCO1 ZINC000398647274 488221767 /nfs/dbraw/zinc/22/17/67/488221767.db2.gz KFYZYSKWWJFBEQ-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC2CCC2)CCO1 ZINC000398647274 488221768 /nfs/dbraw/zinc/22/17/68/488221768.db2.gz KFYZYSKWWJFBEQ-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000398746085 488223803 /nfs/dbraw/zinc/22/38/03/488223803.db2.gz YSLQEQQKIVJKRA-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn[nH]c2)[C@@H](C)C1 ZINC000678277347 488235786 /nfs/dbraw/zinc/23/57/86/488235786.db2.gz ISXGJULTYVGMTC-WCQYABFASA-N 2 1 236.363 1.572 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@]1(C)CCCO1 ZINC000683889699 488237468 /nfs/dbraw/zinc/23/74/68/488237468.db2.gz YOCWXSZATUCFCG-YPMHNXCESA-N 2 1 237.347 1.510 20 0 BDADMP C[C@H](CCN(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000049553831 488303952 /nfs/dbraw/zinc/30/39/52/488303952.db2.gz BRXAUJAPKFRAQY-OLZOCXBDSA-N 2 1 241.423 1.647 20 0 BDADMP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000679127596 488311167 /nfs/dbraw/zinc/31/11/67/488311167.db2.gz TUUREIWYIWWYTA-KBPBESRZSA-N 2 1 244.338 1.411 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC=CCC1 ZINC000679324525 488337713 /nfs/dbraw/zinc/33/77/13/488337713.db2.gz VJASNZAVLOOUGK-UHFFFAOYSA-N 2 1 205.305 1.844 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=CCC1 ZINC000679324525 488337714 /nfs/dbraw/zinc/33/77/14/488337714.db2.gz VJASNZAVLOOUGK-UHFFFAOYSA-N 2 1 205.305 1.844 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000679332364 488340636 /nfs/dbraw/zinc/34/06/36/488340636.db2.gz VDOLWHZWOYQZRR-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679340018 488341801 /nfs/dbraw/zinc/34/18/01/488341801.db2.gz MYYYOBLAOVTHAT-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC000121384334 490084539 /nfs/dbraw/zinc/08/45/39/490084539.db2.gz RBINFEJYMXXLQW-TXEJJXNPSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300333673 490557227 /nfs/dbraw/zinc/55/72/27/490557227.db2.gz QNWZKBIBXOODHO-KXNHARMFSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300333673 490557232 /nfs/dbraw/zinc/55/72/32/490557232.db2.gz QNWZKBIBXOODHO-KXNHARMFSA-N 2 1 228.405 1.953 20 0 BDADMP CCOc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000090320625 491124437 /nfs/dbraw/zinc/12/44/37/491124437.db2.gz YQQBEPRTRYIDRI-ZIAGYGMSSA-N 2 1 246.354 1.737 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001172768637 974937410 /nfs/dbraw/zinc/93/74/10/974937410.db2.gz VRLRSDLNGORVKN-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001172768637 974937415 /nfs/dbraw/zinc/93/74/15/974937415.db2.gz VRLRSDLNGORVKN-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@H]([NH2+]CCOC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400346728 533859857 /nfs/dbraw/zinc/85/98/57/533859857.db2.gz ABKJOGIPJJUPHT-JGVFFNPUSA-N 2 1 226.242 1.253 20 0 BDADMP C[C@H]([NH2+]CCOCC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400404347 533860028 /nfs/dbraw/zinc/86/00/28/533860028.db2.gz RGBIKFLGQQGGGP-GXTWGEPZSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000400562497 534076616 /nfs/dbraw/zinc/07/66/16/534076616.db2.gz IAOIYJJKTMDZLR-GVXVVHGQSA-N 2 1 225.380 1.199 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](CCOCC[NH3+])C1 ZINC000261538601 536048032 /nfs/dbraw/zinc/04/80/32/536048032.db2.gz YRZHODPQAJDUEH-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000261549704 536458257 /nfs/dbraw/zinc/45/82/57/536458257.db2.gz PBPLSBBBAUSJLG-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC(C)(C)COC ZINC000261549704 536458260 /nfs/dbraw/zinc/45/82/60/536458260.db2.gz PBPLSBBBAUSJLG-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000336000008 536481504 /nfs/dbraw/zinc/48/15/04/536481504.db2.gz HCKFAUKJKXSEDM-CABCVRRESA-N 2 1 246.354 1.330 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000336000008 536481507 /nfs/dbraw/zinc/48/15/07/536481507.db2.gz HCKFAUKJKXSEDM-CABCVRRESA-N 2 1 246.354 1.330 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCOC1 ZINC000400645130 527482153 /nfs/dbraw/zinc/48/21/53/527482153.db2.gz UIBKSPQRAJANGF-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400767983 529154985 /nfs/dbraw/zinc/15/49/85/529154985.db2.gz ZOEIHLXNVLFOSA-SRVKXCTJSA-N 2 1 241.379 1.021 20 0 BDADMP CC(C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335320870 535197000 /nfs/dbraw/zinc/19/70/00/535197000.db2.gz IRNNGAYAQPBMQE-ZDUSSCGKSA-N 2 1 239.407 1.495 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(C)C ZINC000261534964 535408675 /nfs/dbraw/zinc/40/86/75/535408675.db2.gz UXIVBGHEQRTYRI-IJLUTSLNSA-N 2 1 226.364 1.532 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000248799427 535585287 /nfs/dbraw/zinc/58/52/87/535585287.db2.gz ZUHIRCTYPOUTSQ-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CCS[C@@H]1CCCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261535361 535704181 /nfs/dbraw/zinc/70/41/81/535704181.db2.gz OGZGUJBFNIAYER-WDEREUQCSA-N 2 1 216.394 1.941 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1O ZINC000348128887 535860702 /nfs/dbraw/zinc/86/07/02/535860702.db2.gz QNFHEFHYSIFJGI-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC000348128887 535860704 /nfs/dbraw/zinc/86/07/04/535860704.db2.gz QNFHEFHYSIFJGI-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC000348128887 535860710 /nfs/dbraw/zinc/86/07/10/535860710.db2.gz QNFHEFHYSIFJGI-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252713312 536001129 /nfs/dbraw/zinc/00/11/29/536001129.db2.gz OUZHBLCFIWAQMT-QNWHQSFQSA-N 2 1 228.380 1.323 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251134983 536091675 /nfs/dbraw/zinc/09/16/75/536091675.db2.gz ZCPWBDBCAZWYII-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP CCc1nc(N2CC[C@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC000261542163 536125233 /nfs/dbraw/zinc/12/52/33/536125233.db2.gz BWWJBJWMOLNFEL-CYBMUJFWSA-N 2 1 234.347 1.523 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000336119421 536138456 /nfs/dbraw/zinc/13/84/56/536138456.db2.gz NPVWLSQENNORMR-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC000335372754 536344820 /nfs/dbraw/zinc/34/48/20/536344820.db2.gz PAFKTPAUGGAYFL-ZYHUDNBSSA-N 2 1 214.328 1.951 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000222641024 536345479 /nfs/dbraw/zinc/34/54/79/536345479.db2.gz NPMNUNHTRXDBGI-CHWSQXEVSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348148509 536371154 /nfs/dbraw/zinc/37/11/54/536371154.db2.gz IOGQOOWDSSKADR-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+](CCOCC1CC1)CC(C)(C)C[NH3+] ZINC000087400198 536393365 /nfs/dbraw/zinc/39/33/65/536393365.db2.gz SWDPHRZLZFLRLC-UHFFFAOYSA-N 2 1 214.353 1.330 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(C[C@]3(C)CC[NH2+]C3)[C@H]2C1 ZINC000262092256 536464631 /nfs/dbraw/zinc/46/46/31/536464631.db2.gz UXJHUWIMMREQEG-HZSPNIEDSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC000084149031 536467962 /nfs/dbraw/zinc/46/79/62/536467962.db2.gz PBBHHCBWADBEMY-LLVKDONJSA-N 2 1 239.388 1.801 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2sc(C)nc2C)C1 ZINC000084149031 536467966 /nfs/dbraw/zinc/46/79/66/536467966.db2.gz PBBHHCBWADBEMY-LLVKDONJSA-N 2 1 239.388 1.801 20 0 BDADMP COC1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000335638444 536739933 /nfs/dbraw/zinc/73/99/33/536739933.db2.gz REYIEJSQVIRIMD-IKWCTNDRSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@]1(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420928 566396187 /nfs/dbraw/zinc/39/61/87/566396187.db2.gz QPISGUGSODTTBX-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420928 566396199 /nfs/dbraw/zinc/39/61/99/566396199.db2.gz QPISGUGSODTTBX-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@]1(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420931 566396365 /nfs/dbraw/zinc/39/63/65/566396365.db2.gz QPISGUGSODTTBX-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC000334420931 566396373 /nfs/dbraw/zinc/39/63/73/566396373.db2.gz QPISGUGSODTTBX-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000893399996 583136388 /nfs/dbraw/zinc/13/63/88/583136388.db2.gz BZAHXFLOZZRFOH-CQSZACIVSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@H+](CCC1SCCS1)[C@H](CN)C1CC1 ZINC000853022975 588716549 /nfs/dbraw/zinc/71/65/49/588716549.db2.gz JHRCWGRIXYRAQA-SNVBAGLBSA-N 2 1 246.445 1.852 20 0 BDADMP C[N@H+](CCC1SCCS1)[C@H](C[NH3+])C1CC1 ZINC000853022975 588716551 /nfs/dbraw/zinc/71/65/51/588716551.db2.gz JHRCWGRIXYRAQA-SNVBAGLBSA-N 2 1 246.445 1.852 20 0 BDADMP C[N@@H+](CCC1SCCS1)[C@H](C[NH3+])C1CC1 ZINC000853022975 588716552 /nfs/dbraw/zinc/71/65/52/588716552.db2.gz JHRCWGRIXYRAQA-SNVBAGLBSA-N 2 1 246.445 1.852 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccn2)CC[N@@H+]1C ZINC000853100277 588719871 /nfs/dbraw/zinc/71/98/71/588719871.db2.gz BCJLWRFLGLLZQS-MBNYWOFBSA-N 2 1 249.358 1.187 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccn2)CC[N@H+]1C ZINC000853100277 588719872 /nfs/dbraw/zinc/71/98/72/588719872.db2.gz BCJLWRFLGLLZQS-MBNYWOFBSA-N 2 1 249.358 1.187 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccn2)CC[N@@H+]1C ZINC000853100278 588719936 /nfs/dbraw/zinc/71/99/36/588719936.db2.gz BCJLWRFLGLLZQS-YRGRVCCFSA-N 2 1 249.358 1.187 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccn2)CC[N@H+]1C ZINC000853100278 588719937 /nfs/dbraw/zinc/71/99/37/588719937.db2.gz BCJLWRFLGLLZQS-YRGRVCCFSA-N 2 1 249.358 1.187 20 0 BDADMP C[C@@H](CCNc1nc(N(C)C)cc[nH+]1)[NH+](C)C ZINC000853798762 588763899 /nfs/dbraw/zinc/76/38/99/588763899.db2.gz KOPDSOKYYQQBDS-JTQLQIEISA-N 2 1 237.351 1.295 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)C1C[NH2+]C1 ZINC000854229600 588780869 /nfs/dbraw/zinc/78/08/69/588780869.db2.gz SDKIARQKIRWQEE-CUOATXAZSA-N 2 1 232.327 1.362 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348100665 582524925 /nfs/dbraw/zinc/52/49/25/582524925.db2.gz HCAKRDNZBCMCPM-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000804797918 582558903 /nfs/dbraw/zinc/55/89/03/582558903.db2.gz RKRVQWZPBIMZCJ-LLVKDONJSA-N 2 1 205.305 1.612 20 0 BDADMP CCCCCC[N@@H+](C)CCOCC[NH3+] ZINC000301048128 582607565 /nfs/dbraw/zinc/60/75/65/582607565.db2.gz QDKAPZIFLYANCS-UHFFFAOYSA-N 2 1 202.342 1.474 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1C ZINC000892068313 582783338 /nfs/dbraw/zinc/78/33/38/582783338.db2.gz KLANFNVVVDYVCD-TXEJJXNPSA-N 2 1 210.365 1.916 20 0 BDADMP C[C@H](CC[NH+](C)C)Nc1nccn2c[nH+]cc12 ZINC000892085543 582788249 /nfs/dbraw/zinc/78/82/49/582788249.db2.gz OGVJCGTYWDFWGZ-SNVBAGLBSA-N 2 1 233.319 1.481 20 0 BDADMP C[C@H](C1CC1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000782181703 582870002 /nfs/dbraw/zinc/87/00/02/582870002.db2.gz JKSWTUWOMFBREB-GFCCVEGCSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1[nH+]ccn1CCCNc1nc(N)cc(C)[nH+]1 ZINC000892667168 582945776 /nfs/dbraw/zinc/94/57/76/582945776.db2.gz UNPQLHALQSJYMP-UHFFFAOYSA-N 2 1 246.318 1.374 20 0 BDADMP Cc1cc(N)nc(N(C)CC2([NH+](C)C)CCC2)[nH+]1 ZINC000893383931 583133606 /nfs/dbraw/zinc/13/36/06/583133606.db2.gz IFSODWUHVNDEFC-UHFFFAOYSA-N 2 1 249.362 1.288 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399081606 583170272 /nfs/dbraw/zinc/17/02/72/583170272.db2.gz PTACHGBMTGZLMK-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857085135 588886640 /nfs/dbraw/zinc/88/66/40/588886640.db2.gz ISSPPPGFTYXYQS-STQMWFEESA-N 2 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857085135 588886642 /nfs/dbraw/zinc/88/66/42/588886642.db2.gz ISSPPPGFTYXYQS-STQMWFEESA-N 2 1 225.380 1.319 20 0 BDADMP N[C@]12CCC[C@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000857085135 588886643 /nfs/dbraw/zinc/88/66/43/588886643.db2.gz ISSPPPGFTYXYQS-STQMWFEESA-N 2 1 225.380 1.319 20 0 BDADMP N[C@]12CCC[C@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000857085135 588886645 /nfs/dbraw/zinc/88/66/45/588886645.db2.gz ISSPPPGFTYXYQS-STQMWFEESA-N 2 1 225.380 1.319 20 0 BDADMP C[NH+]1CCC(C[NH2+]C(C)(C)C(F)F)CC1 ZINC000894149840 583319385 /nfs/dbraw/zinc/31/93/85/583319385.db2.gz YBMLUPKXVZQTLN-UHFFFAOYSA-N 2 1 220.307 1.962 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000894252926 583392772 /nfs/dbraw/zinc/39/27/72/583392772.db2.gz CSQMBZATLOXKPT-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000894252920 583393027 /nfs/dbraw/zinc/39/30/27/583393027.db2.gz CSQMBZATLOXKPT-GXTWGEPZSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000894864010 583536597 /nfs/dbraw/zinc/53/65/97/583536597.db2.gz ZNQWKMRWFYTDIU-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP COCC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894894737 583549398 /nfs/dbraw/zinc/54/93/98/583549398.db2.gz NHWYQIIIVBLBMO-RLAWYHOSSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857859614 588914068 /nfs/dbraw/zinc/91/40/68/588914068.db2.gz HFPIRUYJSGOOQD-CYBMUJFWSA-N 2 1 246.358 1.639 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857859614 588914069 /nfs/dbraw/zinc/91/40/69/588914069.db2.gz HFPIRUYJSGOOQD-CYBMUJFWSA-N 2 1 246.358 1.639 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857859614 588914070 /nfs/dbraw/zinc/91/40/70/588914070.db2.gz HFPIRUYJSGOOQD-CYBMUJFWSA-N 2 1 246.358 1.639 20 0 BDADMP CN1CC(C[N@H+](C)Cc2ccc(Cl)cn2)C1 ZINC000895259353 583634230 /nfs/dbraw/zinc/63/42/30/583634230.db2.gz LHTOBIBJCYKXFR-UHFFFAOYSA-N 2 1 239.750 1.728 20 0 BDADMP CCn1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(C)n1 ZINC000895429619 583668913 /nfs/dbraw/zinc/66/89/13/583668913.db2.gz RAAWIMZJNVTECZ-LLVKDONJSA-N 2 1 238.379 1.641 20 0 BDADMP C[C@@H]1[C@H](Nc2cc(N)[nH+]cc2Cl)CC[N@H+]1C ZINC000895735484 583717359 /nfs/dbraw/zinc/71/73/59/583717359.db2.gz VHRJMETYYLUMRM-VXNVDRBHSA-N 2 1 240.738 1.822 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858132148 588934455 /nfs/dbraw/zinc/93/44/55/588934455.db2.gz UKKPGWBBZCSIIX-GFCCVEGCSA-N 2 1 237.322 1.652 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858132148 588934456 /nfs/dbraw/zinc/93/44/56/588934456.db2.gz UKKPGWBBZCSIIX-GFCCVEGCSA-N 2 1 237.322 1.652 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CCO)C2CC2)CC1(C)C ZINC000858144163 588935181 /nfs/dbraw/zinc/93/51/81/588935181.db2.gz IKVWXJITCZUESH-CHWSQXEVSA-N 2 1 240.391 1.610 20 0 BDADMP CCO[C@H](C[NH2+]C[C@H]1CCC=CO1)C[NH+](C)C ZINC000896879530 583845104 /nfs/dbraw/zinc/84/51/04/583845104.db2.gz CWCHVTSQNZVDKY-CHWSQXEVSA-N 2 1 242.363 1.235 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000898392856 584130625 /nfs/dbraw/zinc/13/06/25/584130625.db2.gz WJQJLEFJNUGEPV-HUUCEWRRSA-N 2 1 246.354 1.329 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C1CCCC1 ZINC000899912388 584253735 /nfs/dbraw/zinc/25/37/35/584253735.db2.gz JCFSQIGLUXDMIO-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C1CCCC1 ZINC000899912388 584253736 /nfs/dbraw/zinc/25/37/36/584253736.db2.gz JCFSQIGLUXDMIO-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1C1CCCC1 ZINC000899912388 584253737 /nfs/dbraw/zinc/25/37/37/584253737.db2.gz JCFSQIGLUXDMIO-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1C1CCCC1 ZINC000899912388 584253738 /nfs/dbraw/zinc/25/37/38/584253738.db2.gz JCFSQIGLUXDMIO-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394999 584584395 /nfs/dbraw/zinc/58/43/95/584584395.db2.gz ZNYMLIHQZSLLMS-FRRDWIJNSA-N 3 1 239.407 1.352 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402223 584587309 /nfs/dbraw/zinc/58/73/09/584587309.db2.gz JENIAEMEDABCSF-NSHDSACASA-N 3 1 227.396 1.482 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(F)c1 ZINC000902416592 584590224 /nfs/dbraw/zinc/59/02/24/584590224.db2.gz UNUCJBYNXFWVSY-VIFPVBQESA-N 2 1 208.280 1.968 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000902418833 584591890 /nfs/dbraw/zinc/59/18/90/584591890.db2.gz ZTXCCXZPRQCHOE-LBPRGKRZSA-N 2 1 220.291 1.894 20 0 BDADMP COC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000902443222 584598435 /nfs/dbraw/zinc/59/84/35/584598435.db2.gz KRRPVZKADAIPJR-STQMWFEESA-N 2 1 240.391 1.779 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000902414516 584600703 /nfs/dbraw/zinc/60/07/03/584600703.db2.gz CEFGVUKRVXARAB-ZDUSSCGKSA-N 2 1 216.328 1.625 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)C ZINC000902476821 584602631 /nfs/dbraw/zinc/60/26/31/584602631.db2.gz PRQJXPCADCBDTG-KXNHARMFSA-N 2 1 212.337 1.140 20 0 BDADMP C[C@H](N[C@@H]1C[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000902449080 584605598 /nfs/dbraw/zinc/60/55/98/584605598.db2.gz LUZDHJHXEXDGDO-WCQYABFASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC2(C)C)CC[N@H+]1C ZINC000902449779 584606464 /nfs/dbraw/zinc/60/64/64/584606464.db2.gz QDURAGXNBVTIKL-WOPDTQHZSA-N 2 1 225.380 1.057 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C(C)C ZINC000902450859 584606836 /nfs/dbraw/zinc/60/68/36/584606836.db2.gz UVLJNQYJKSWTCD-WDEREUQCSA-N 2 1 214.353 1.245 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CCC(C)(C)C1 ZINC000902455124 584609387 /nfs/dbraw/zinc/60/93/87/584609387.db2.gz JDVWRVXEMIYSNY-RYUDHWBXSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC(C)(C)C1 ZINC000902455124 584609388 /nfs/dbraw/zinc/60/93/88/584609388.db2.gz JDVWRVXEMIYSNY-RYUDHWBXSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902458667 584610901 /nfs/dbraw/zinc/61/09/01/584610901.db2.gz XEXZINBMOYURHX-MLGHIDQZSA-N 2 1 208.349 1.763 20 0 BDADMP C[C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@H+]1C1CC1 ZINC000902465012 584613409 /nfs/dbraw/zinc/61/34/09/584613409.db2.gz FPECVYALCYHSLE-APLVYKGISA-N 2 1 235.375 1.094 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467261 584614648 /nfs/dbraw/zinc/61/46/48/584614648.db2.gz OJDNFQDPVKPDCE-UMSGYPCISA-N 2 1 226.364 1.530 20 0 BDADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468915 584615289 /nfs/dbraw/zinc/61/52/89/584615289.db2.gz YAXMFKJTXJEFIA-YVECIDJPSA-N 2 1 236.359 1.428 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]2CCC[C@H]21 ZINC000902469196 584615928 /nfs/dbraw/zinc/61/59/28/584615928.db2.gz YXFWHCNSIRCEOQ-MNQBEEPXSA-N 2 1 249.402 1.342 20 0 BDADMP Nc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000902503877 584621446 /nfs/dbraw/zinc/62/14/46/584621446.db2.gz YJZAMUNTITXRSS-PSASIEDQSA-N 2 1 240.376 1.332 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481226 584622916 /nfs/dbraw/zinc/62/29/16/584622916.db2.gz BSLYEXUGNYJZGO-NEPJUHHUSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)[C@H]1CCCO1 ZINC000902482469 584624225 /nfs/dbraw/zinc/62/42/25/584624225.db2.gz LPHAMVIOGVLLRU-YNEHKIRRSA-N 2 1 226.364 1.676 20 0 BDADMP Cc1ncccc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000902514051 584629202 /nfs/dbraw/zinc/62/92/02/584629202.db2.gz PLBLFLMPPDQKMM-FZMZJTMJSA-N 2 1 233.359 1.520 20 0 BDADMP Cc1ncccc1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000902514906 584629554 /nfs/dbraw/zinc/62/95/54/584629554.db2.gz VQUYZAAUIJMFDW-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP Cc1ncccc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000902514663 584629584 /nfs/dbraw/zinc/62/95/84/584629584.db2.gz UGTULVIVCKNHQQ-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP C1CC1[C@H]1COC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000902517149 584630253 /nfs/dbraw/zinc/63/02/53/584630253.db2.gz HPWGTSQNANDAEA-AGIUHOORSA-N 2 1 236.359 1.286 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000902517119 584630431 /nfs/dbraw/zinc/63/04/31/584630431.db2.gz HDTJPVAZAXGNFE-SCUASFONSA-N 2 1 238.375 1.532 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902518456 584631086 /nfs/dbraw/zinc/63/10/86/584631086.db2.gz LIXPEGJGBHMEKU-WOPDTQHZSA-N 2 1 224.348 1.142 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902520988 584631547 /nfs/dbraw/zinc/63/15/47/584631547.db2.gz QKOCORGQNJNVGS-IGQOVBAYSA-N 2 1 232.327 1.114 20 0 BDADMP C[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903091108 584725713 /nfs/dbraw/zinc/72/57/13/584725713.db2.gz NHXWBDDBPQOSBA-YPRXJGMQSA-N 2 1 249.402 1.438 20 0 BDADMP C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903091108 584725715 /nfs/dbraw/zinc/72/57/15/584725715.db2.gz NHXWBDDBPQOSBA-YPRXJGMQSA-N 2 1 249.402 1.438 20 0 BDADMP C[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903091108 584725716 /nfs/dbraw/zinc/72/57/16/584725716.db2.gz NHXWBDDBPQOSBA-YPRXJGMQSA-N 2 1 249.402 1.438 20 0 BDADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903091108 584725718 /nfs/dbraw/zinc/72/57/18/584725718.db2.gz NHXWBDDBPQOSBA-YPRXJGMQSA-N 2 1 249.402 1.438 20 0 BDADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903091108 584725720 /nfs/dbraw/zinc/72/57/20/584725720.db2.gz NHXWBDDBPQOSBA-YPRXJGMQSA-N 2 1 249.402 1.438 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1C ZINC000903093462 584728929 /nfs/dbraw/zinc/72/89/29/584728929.db2.gz RHAHYLLUZPCSBM-ITGHMWBKSA-N 2 1 242.407 1.569 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000903430774 584761354 /nfs/dbraw/zinc/76/13/54/584761354.db2.gz ASROMNSAMZYJHW-UPJWGTAASA-N 2 1 248.374 1.445 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000903441340 584764018 /nfs/dbraw/zinc/76/40/18/584764018.db2.gz OCZBXJKOFAGDHB-MQYQWHSLSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000903441340 584764020 /nfs/dbraw/zinc/76/40/20/584764020.db2.gz OCZBXJKOFAGDHB-MQYQWHSLSA-N 2 1 238.375 1.343 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903423400 584764700 /nfs/dbraw/zinc/76/47/00/584764700.db2.gz UTTDZLDCFLVDEP-LBPRGKRZSA-N 2 1 229.327 1.949 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000903459422 584765996 /nfs/dbraw/zinc/76/59/96/584765996.db2.gz JQYKQOTWDBEIQJ-YNEHKIRRSA-N 2 1 249.362 1.042 20 0 BDADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CCC[NH2+]1)CC[NH2+]CC2 ZINC000903459918 584766658 /nfs/dbraw/zinc/76/66/58/584766658.db2.gz QUFJOXITFIOHSD-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1CC2(CN1C[C@H]1CCC[NH2+]1)CC[NH2+]CC2 ZINC000903459918 584766660 /nfs/dbraw/zinc/76/66/60/584766660.db2.gz QUFJOXITFIOHSD-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])C1 ZINC000903447271 584770676 /nfs/dbraw/zinc/77/06/76/584770676.db2.gz MERICQXYBQHYQM-MQLXINIDSA-N 3 1 237.391 1.173 20 0 BDADMP C[C@H](c1ncccn1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000903447580 584770757 /nfs/dbraw/zinc/77/07/57/584770757.db2.gz YOCDBNQZNSXVRF-VOAKCMCISA-N 2 1 246.358 1.597 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000903447580 584770758 /nfs/dbraw/zinc/77/07/58/584770758.db2.gz YOCDBNQZNSXVRF-VOAKCMCISA-N 2 1 246.358 1.597 20 0 BDADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903453993 584772646 /nfs/dbraw/zinc/77/26/46/584772646.db2.gz QTWQZRVGGXUFHW-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903454396 584773244 /nfs/dbraw/zinc/77/32/44/584773244.db2.gz BIMBVPSJVNRTKE-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP Cn1cc[nH+]c1[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903456057 584773907 /nfs/dbraw/zinc/77/39/07/584773907.db2.gz DPMZGEYUAVBXNK-QWHCGFSZSA-N 2 1 248.374 1.352 20 0 BDADMP CCN1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000903455338 584774224 /nfs/dbraw/zinc/77/42/24/584774224.db2.gz UPTDOFRXUZZLCS-RQJABVFESA-N 2 1 239.407 1.528 20 0 BDADMP C[C@H](F)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471303 584775269 /nfs/dbraw/zinc/77/52/69/584775269.db2.gz IIPNYVSWRLEXAV-UWVGGRQHSA-N 2 1 200.301 1.609 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCCO1 ZINC000903473105 584776293 /nfs/dbraw/zinc/77/62/93/584776293.db2.gz ZWNMRPDFWXRCOY-NEPJUHHUSA-N 2 1 224.348 1.430 20 0 BDADMP C[N@H+]1CC[C@H]2CN(C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475820 584776691 /nfs/dbraw/zinc/77/66/91/584776691.db2.gz FADXWBLHPNWVPQ-ZOBORPQBSA-N 2 1 237.391 1.140 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475820 584776692 /nfs/dbraw/zinc/77/66/92/584776692.db2.gz FADXWBLHPNWVPQ-ZOBORPQBSA-N 3 1 237.391 1.140 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475820 584776693 /nfs/dbraw/zinc/77/66/93/584776693.db2.gz FADXWBLHPNWVPQ-ZOBORPQBSA-N 3 1 237.391 1.140 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475820 584776695 /nfs/dbraw/zinc/77/66/95/584776695.db2.gz FADXWBLHPNWVPQ-ZOBORPQBSA-N 3 1 237.391 1.140 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000903475820 584776697 /nfs/dbraw/zinc/77/66/97/584776697.db2.gz FADXWBLHPNWVPQ-ZOBORPQBSA-N 3 1 237.391 1.140 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000903476312 584777323 /nfs/dbraw/zinc/77/73/23/584777323.db2.gz UGXJDEFBVZWLFG-VOAKCMCISA-N 2 1 240.416 1.527 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000903481910 584777765 /nfs/dbraw/zinc/77/77/65/584777765.db2.gz QBCYSFAEBUYJEM-FQUUOJAGSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+]CCCCCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903483032 584778875 /nfs/dbraw/zinc/77/88/75/584778875.db2.gz BLVJTQFAEDLYDB-CYBMUJFWSA-N 2 1 239.407 1.770 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500199 584779821 /nfs/dbraw/zinc/77/98/21/584779821.db2.gz VJNNTXKEAGODQZ-VXGBXAGGSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCO[C@H]2C)C[C@H]1CC[NH3+] ZINC000903498858 584779846 /nfs/dbraw/zinc/77/98/46/584779846.db2.gz LRQMDRSDHQOLJI-YVECIDJPSA-N 2 1 226.364 1.328 20 0 BDADMP CC(C)OCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903486870 584780330 /nfs/dbraw/zinc/78/03/30/584780330.db2.gz YXMUMYVMRAZVEE-LBPRGKRZSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903708515 584791506 /nfs/dbraw/zinc/79/15/06/584791506.db2.gz XYTZUMHJRPFZAJ-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903717061 584792156 /nfs/dbraw/zinc/79/21/56/584792156.db2.gz YNWNSPQICOTZGU-NSHDSACASA-N 2 1 222.307 1.937 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903717157 584792247 /nfs/dbraw/zinc/79/22/47/584792247.db2.gz IDEPSATZMCOYEG-KBPBESRZSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903717157 584792248 /nfs/dbraw/zinc/79/22/48/584792248.db2.gz IDEPSATZMCOYEG-KBPBESRZSA-N 3 1 241.423 1.681 20 0 BDADMP C[C@]1(C2CC2)COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903712692 584793240 /nfs/dbraw/zinc/79/32/40/584793240.db2.gz RGWNLOKJFMJVPV-CQSZACIVSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1C ZINC000903731615 584793245 /nfs/dbraw/zinc/79/32/45/584793245.db2.gz BVSZPPKKSLJLMW-YIYPIFLZSA-N 2 1 238.375 1.485 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903744527 584796653 /nfs/dbraw/zinc/79/66/53/584796653.db2.gz UKNTUVKBKVQYPV-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903744527 584796654 /nfs/dbraw/zinc/79/66/54/584796654.db2.gz UKNTUVKBKVQYPV-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP CC1CC(C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000903761594 584797431 /nfs/dbraw/zinc/79/74/31/584797431.db2.gz WWNKAEXLPCPQKJ-HTAVTVPLSA-N 2 1 212.337 1.082 20 0 BDADMP CC1CC(C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000903761595 584797678 /nfs/dbraw/zinc/79/76/78/584797678.db2.gz WWNKAEXLPCPQKJ-MCIGGMRASA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767191 584798011 /nfs/dbraw/zinc/79/80/11/584798011.db2.gz FFNNBRUJRLMCHR-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778027 584799498 /nfs/dbraw/zinc/79/94/98/584799498.db2.gz IUGZKINHEJKNOG-STQMWFEESA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)OCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903796293 584800551 /nfs/dbraw/zinc/80/05/51/584800551.db2.gz UVXWPSVPKQXBHI-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903796293 584800553 /nfs/dbraw/zinc/80/05/53/584800553.db2.gz UVXWPSVPKQXBHI-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP C[C@]12C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827483 584804795 /nfs/dbraw/zinc/80/47/95/584804795.db2.gz UIDSJXUTWQRYOC-SBJFKYEJSA-N 2 1 232.371 1.740 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903827432 584804826 /nfs/dbraw/zinc/80/48/26/584804826.db2.gz SJKQLFIVSKNMNX-LBPRGKRZSA-N 2 1 228.405 1.813 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000903832990 584806183 /nfs/dbraw/zinc/80/61/83/584806183.db2.gz UZSYLATUVAEIKL-AWEZNQCLSA-N 2 1 247.386 1.807 20 0 BDADMP C[NH2+]CCC[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000903832990 584806184 /nfs/dbraw/zinc/80/61/84/584806184.db2.gz UZSYLATUVAEIKL-AWEZNQCLSA-N 2 1 247.386 1.807 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH3+])CCN1c1ccccc1 ZINC000903832875 584806213 /nfs/dbraw/zinc/80/62/13/584806213.db2.gz SDXKFSYSMCWUIA-ZDUSSCGKSA-N 2 1 233.359 1.546 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000903840488 584807278 /nfs/dbraw/zinc/80/72/78/584807278.db2.gz RILNTFGKSXCMIB-NEPJUHHUSA-N 2 1 232.343 1.300 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC=CC1)C2 ZINC000903842991 584807780 /nfs/dbraw/zinc/80/77/80/584807780.db2.gz ZYJVMTOJSYOEAQ-XQQFMLRXSA-N 2 1 206.333 1.764 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903856577 584808708 /nfs/dbraw/zinc/80/87/08/584808708.db2.gz ADONPZXHGNCRAC-RNJOBUHISA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856577 584808710 /nfs/dbraw/zinc/80/87/10/584808710.db2.gz ADONPZXHGNCRAC-RNJOBUHISA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856577 584808711 /nfs/dbraw/zinc/80/87/11/584808711.db2.gz ADONPZXHGNCRAC-RNJOBUHISA-N 2 1 224.348 1.225 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903855502 584809067 /nfs/dbraw/zinc/80/90/67/584809067.db2.gz OOWMRUMRGMEZTH-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903855502 584809068 /nfs/dbraw/zinc/80/90/68/584809068.db2.gz OOWMRUMRGMEZTH-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855502 584809069 /nfs/dbraw/zinc/80/90/69/584809069.db2.gz OOWMRUMRGMEZTH-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855502 584809070 /nfs/dbraw/zinc/80/90/70/584809070.db2.gz OOWMRUMRGMEZTH-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2CC[C@H]1CCCO1 ZINC000903856547 584809230 /nfs/dbraw/zinc/80/92/30/584809230.db2.gz ABOKYPBBFDCKFI-YNEHKIRRSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC[C@H]1CCCO1 ZINC000903856547 584809231 /nfs/dbraw/zinc/80/92/31/584809231.db2.gz ABOKYPBBFDCKFI-YNEHKIRRSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC[C@H]1CCCO1 ZINC000903856547 584809233 /nfs/dbraw/zinc/80/92/33/584809233.db2.gz ABOKYPBBFDCKFI-YNEHKIRRSA-N 2 1 224.348 1.369 20 0 BDADMP NC[C@@]12CC[C@H]1CC[N@H+]2CCC1CC[NH2+]CC1 ZINC000903854126 584809413 /nfs/dbraw/zinc/80/94/13/584809413.db2.gz IDILPSJETCNEKE-KBPBESRZSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCC1CC[NH2+]CC1 ZINC000903854126 584809415 /nfs/dbraw/zinc/80/94/15/584809415.db2.gz IDILPSJETCNEKE-KBPBESRZSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCC1CC[NH2+]CC1 ZINC000903854126 584809416 /nfs/dbraw/zinc/80/94/16/584809416.db2.gz IDILPSJETCNEKE-KBPBESRZSA-N 3 1 237.391 1.189 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857859 584809934 /nfs/dbraw/zinc/80/99/34/584809934.db2.gz GCUIXSRGRFDSNN-GFSGRHGLSA-N 2 1 206.333 1.932 20 0 BDADMP C=C/C=C/CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857859 584809936 /nfs/dbraw/zinc/80/99/36/584809936.db2.gz GCUIXSRGRFDSNN-GFSGRHGLSA-N 2 1 206.333 1.932 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000903857946 584810450 /nfs/dbraw/zinc/81/04/50/584810450.db2.gz GXKZYHDUBMWFCZ-MGPQQGTHSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000903857946 584810451 /nfs/dbraw/zinc/81/04/51/584810451.db2.gz GXKZYHDUBMWFCZ-MGPQQGTHSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000903857946 584810452 /nfs/dbraw/zinc/81/04/52/584810452.db2.gz GXKZYHDUBMWFCZ-MGPQQGTHSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCc1ccncc1 ZINC000903859324 584810798 /nfs/dbraw/zinc/81/07/98/584810798.db2.gz MIAHNUDWXUYLIU-LSDHHAIUSA-N 2 1 245.370 1.827 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCc1ccncc1 ZINC000903859324 584810799 /nfs/dbraw/zinc/81/07/99/584810799.db2.gz MIAHNUDWXUYLIU-LSDHHAIUSA-N 2 1 245.370 1.827 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CCC1 ZINC000903859847 584810960 /nfs/dbraw/zinc/81/09/60/584810960.db2.gz OZQYDALPEKYYTA-MCIONIFRSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CCC1 ZINC000903859847 584810962 /nfs/dbraw/zinc/81/09/62/584810962.db2.gz OZQYDALPEKYYTA-MCIONIFRSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903869986 584814647 /nfs/dbraw/zinc/81/46/47/584814647.db2.gz BAARVZCONUCELA-UTUOFQBUSA-N 2 1 226.389 1.281 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870280 584814751 /nfs/dbraw/zinc/81/47/51/584814751.db2.gz MCIYRBTUTVNQHQ-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870280 584814753 /nfs/dbraw/zinc/81/47/53/584814753.db2.gz MCIYRBTUTVNQHQ-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903879658 584817220 /nfs/dbraw/zinc/81/72/20/584817220.db2.gz GPRRSHWYAHHHFW-LBPRGKRZSA-N 2 1 249.362 1.187 20 0 BDADMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903879658 584817223 /nfs/dbraw/zinc/81/72/23/584817223.db2.gz GPRRSHWYAHHHFW-LBPRGKRZSA-N 2 1 249.362 1.187 20 0 BDADMP C[C@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903893166 584819070 /nfs/dbraw/zinc/81/90/70/584819070.db2.gz RTCIXLBXKNWHRB-RYUDHWBXSA-N 2 1 249.362 1.187 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@@H]([NH3+])CC(F)F)CC[N@H+]1C ZINC000903895639 584819933 /nfs/dbraw/zinc/81/99/33/584819933.db2.gz PLBOLYHWQZNNJE-VWYCJHECSA-N 2 1 249.349 1.383 20 0 BDADMP CC[C@@](C)(CCO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903902099 584820559 /nfs/dbraw/zinc/82/05/59/584820559.db2.gz CWEIZYAHDCPICJ-WPRPVWTQSA-N 2 1 224.295 1.110 20 0 BDADMP C[C@H](O)C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903903779 584821318 /nfs/dbraw/zinc/82/13/18/584821318.db2.gz NBQZBFAWEIDFME-NSHDSACASA-N 2 1 234.343 1.145 20 0 BDADMP [NH3+][C@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)CC(F)F ZINC000903920969 584823193 /nfs/dbraw/zinc/82/31/93/584823193.db2.gz YXBGYKJQEKBNKF-UWVGGRQHSA-N 3 1 235.322 1.091 20 0 BDADMP C[N@@H+](CCNC[C@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903923440 584823941 /nfs/dbraw/zinc/82/39/41/584823941.db2.gz UJCOHNMWQWABRS-SNVBAGLBSA-N 2 1 249.349 1.433 20 0 BDADMP OCC[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929392 584824330 /nfs/dbraw/zinc/82/43/30/584824330.db2.gz DHIDQOFUZPUWFU-GSPSYOTPSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H](O)C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903932834 584824885 /nfs/dbraw/zinc/82/48/85/584824885.db2.gz WHPRWFLPGDPNDA-ODWCKFRGSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932813 584825190 /nfs/dbraw/zinc/82/51/90/584825190.db2.gz WBKNGIMSPXGKBU-VHSXEESVSA-N 2 1 243.301 1.585 20 0 BDADMP COCc1ccc(C[NH2+]CCC(C)(C)[NH3+])o1 ZINC000903939976 584828707 /nfs/dbraw/zinc/82/87/07/584828707.db2.gz RRMCZQSTRDXDSX-UHFFFAOYSA-N 2 1 226.320 1.643 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903953338 584831728 /nfs/dbraw/zinc/83/17/28/584831728.db2.gz DCEKGCSXGSXFRI-IHRRRGAJSA-N 2 1 240.391 1.861 20 0 BDADMP C([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000903973557 584832542 /nfs/dbraw/zinc/83/25/42/584832542.db2.gz GMGAYXIYNCYEJH-LBPRGKRZSA-N 2 1 224.348 1.145 20 0 BDADMP CC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974999 584832690 /nfs/dbraw/zinc/83/26/90/584832690.db2.gz YIOSTAOOMYQOFW-OLZOCXBDSA-N 2 1 240.391 1.781 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903963601 584833343 /nfs/dbraw/zinc/83/33/43/584833343.db2.gz BYPVTCYWMXUPBL-NQBHXWOUSA-N 2 1 249.358 1.219 20 0 BDADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903965086 584834323 /nfs/dbraw/zinc/83/43/23/584834323.db2.gz ZPOAXLPESVWMRR-JFGNBEQYSA-N 2 1 224.373 1.877 20 0 BDADMP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903964800 584834463 /nfs/dbraw/zinc/83/44/63/584834463.db2.gz WDWNPJBPQRYKIE-BXUZGUMPSA-N 2 1 233.359 1.520 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321823 584864834 /nfs/dbraw/zinc/86/48/34/584864834.db2.gz HMEBNCMIXVOEAI-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1nnc([C@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)[nH]1 ZINC000904327572 584865345 /nfs/dbraw/zinc/86/53/45/584865345.db2.gz FPWCUXKJCBXQNM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1n[nH]c([C@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904327572 584865346 /nfs/dbraw/zinc/86/53/46/584865346.db2.gz FPWCUXKJCBXQNM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904327572 584865347 /nfs/dbraw/zinc/86/53/47/584865347.db2.gz FPWCUXKJCBXQNM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1nc([C@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n[nH]1 ZINC000904327572 584865348 /nfs/dbraw/zinc/86/53/48/584865348.db2.gz FPWCUXKJCBXQNM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1nc([C@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n[nH]1 ZINC000904327572 584865349 /nfs/dbraw/zinc/86/53/49/584865349.db2.gz FPWCUXKJCBXQNM-SDDRHHMPSA-N 2 1 249.362 1.030 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327102 584865642 /nfs/dbraw/zinc/86/56/42/584865642.db2.gz YZEJFMLLWVVJSW-LOWVWBTDSA-N 2 1 248.374 1.467 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@H]1O)C[C@]1(C)CCC[NH2+]C1 ZINC000904329504 584866193 /nfs/dbraw/zinc/86/61/93/584866193.db2.gz ZVRCOBFAWGCDIL-BFHYXJOUSA-N 2 1 240.391 1.469 20 0 BDADMP CCC[N@@H+](CCN(CC)CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333233 584866724 /nfs/dbraw/zinc/86/67/24/584866724.db2.gz VLGZGWXYMFCNQP-OKILXGFUSA-N 2 1 241.423 1.778 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904334440 584866887 /nfs/dbraw/zinc/86/68/87/584866887.db2.gz WEFXTEFNDNWFHS-AWEZNQCLSA-N 3 1 233.359 1.316 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Cc3ccncc3)C2)C1 ZINC000904341233 584867031 /nfs/dbraw/zinc/86/70/31/584867031.db2.gz LKQPDLUGQQMFBZ-SOUVJXGZSA-N 2 1 245.370 1.683 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC3(CCOCC3)C2)C1 ZINC000904341725 584867266 /nfs/dbraw/zinc/86/72/66/584867266.db2.gz UOWXVATWRIKKOE-BETUJISGSA-N 2 1 238.375 1.616 20 0 BDADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340924 584867497 /nfs/dbraw/zinc/86/74/97/584867497.db2.gz NZWRNMBHRPGALK-NDBYEHHHSA-N 2 1 226.364 1.349 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904347743 584868104 /nfs/dbraw/zinc/86/81/04/584868104.db2.gz JOWFSAWQDMKECY-XQQFMLRXSA-N 2 1 226.364 1.208 20 0 BDADMP C[C@@]1(C[N@H+]2CCOCC3(CC3)C2)CCC[NH2+]C1 ZINC000904346302 584868211 /nfs/dbraw/zinc/86/82/11/584868211.db2.gz QLYFNKKRZTWOPO-CYBMUJFWSA-N 2 1 238.375 1.489 20 0 BDADMP CCC[C@@]1(CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345870 584868316 /nfs/dbraw/zinc/86/83/16/584868316.db2.gz KRFHSTKFJFZBBV-XQQFMLRXSA-N 2 1 226.364 1.351 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000904350502 584868716 /nfs/dbraw/zinc/86/87/16/584868716.db2.gz NKSUELOLIBTYFN-IGQOVBAYSA-N 3 1 237.391 1.045 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000904350717 584869484 /nfs/dbraw/zinc/86/94/84/584869484.db2.gz PVERPDXNSCTAHL-LSDHHAIUSA-N 3 1 245.370 1.329 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000904350717 584869486 /nfs/dbraw/zinc/86/94/86/584869486.db2.gz PVERPDXNSCTAHL-LSDHHAIUSA-N 3 1 245.370 1.329 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@H](N)CCC(C)(C)C ZINC000904355648 584871468 /nfs/dbraw/zinc/87/14/68/584871468.db2.gz VMQWGJAUVVYOFF-VXGBXAGGSA-N 2 1 229.412 1.857 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000904372221 584873495 /nfs/dbraw/zinc/87/34/95/584873495.db2.gz ZSSIOLDTMIPQMQ-WFASDCNBSA-N 3 1 247.386 1.562 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904374933 584874513 /nfs/dbraw/zinc/87/45/13/584874513.db2.gz YLVKETCQDJEUMD-TUAOUCFPSA-N 3 1 213.369 1.092 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000904375453 584875460 /nfs/dbraw/zinc/87/54/60/584875460.db2.gz ARROUIZTBJLTOK-AEJSXWLSSA-N 2 1 216.275 1.455 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@]12C[C@H]1COC2 ZINC000904385890 584877891 /nfs/dbraw/zinc/87/78/91/584877891.db2.gz IZUUPXOIRDFVRX-LOWVWBTDSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@H]1C[NH3+] ZINC000904409370 584879146 /nfs/dbraw/zinc/87/91/46/584879146.db2.gz AIDYLWFCBLKEBY-YPMHNXCESA-N 2 1 221.348 1.442 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccn2C2CC2)CC[C@H]1C[NH3+] ZINC000904409603 584879148 /nfs/dbraw/zinc/87/91/48/584879148.db2.gz DJDKOGFURVXXJU-NEPJUHHUSA-N 2 1 248.374 1.635 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC000904410232 584879245 /nfs/dbraw/zinc/87/92/45/584879245.db2.gz MUUJLJBOKGZTPL-AAVRWANBSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(F)CC2)CC[C@@H]1C[NH3+] ZINC000904409743 584879281 /nfs/dbraw/zinc/87/92/81/584879281.db2.gz HMDWKTTZKSMIMH-NXEZZACHSA-N 2 1 200.301 1.405 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407286 584879378 /nfs/dbraw/zinc/87/93/78/584879378.db2.gz SKUZCIDWLMVHEF-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412179 584879592 /nfs/dbraw/zinc/87/95/92/584879592.db2.gz RUTMRIOKRARMCU-PWSUYJOCSA-N 2 1 236.363 1.145 20 0 BDADMP C[C@@H]1C[N@@H+](CC2=CCCOC2)CC[C@H]1C[NH3+] ZINC000904411266 584879945 /nfs/dbraw/zinc/87/99/45/584879945.db2.gz SZVDQIVDSLEWKE-YPMHNXCESA-N 2 1 224.348 1.250 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000904415553 584880479 /nfs/dbraw/zinc/88/04/79/584880479.db2.gz RESPPVNJCSEIKK-YVECIDJPSA-N 2 1 226.364 1.471 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421101 584882253 /nfs/dbraw/zinc/88/22/53/584882253.db2.gz ONSFBIQGTOIXAY-QWHCGFSZSA-N 2 1 248.374 1.078 20 0 BDADMP CC[C@H](NCC[N@H+]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914159 584991232 /nfs/dbraw/zinc/99/12/32/584991232.db2.gz UKRBKMCJWHDPAS-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP CCOC1CC([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000838842734 585074103 /nfs/dbraw/zinc/07/41/03/585074103.db2.gz VLJNYOUQLABBHE-UHFFFAOYSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838859183 585075715 /nfs/dbraw/zinc/07/57/15/585075715.db2.gz DGCOSJJRXHWWJZ-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000743262280 585134639 /nfs/dbraw/zinc/13/46/39/585134639.db2.gz SUVLCVZUEHXTMO-QLFBSQMISA-N 2 1 246.354 1.180 20 0 BDADMP CC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000746666901 585172134 /nfs/dbraw/zinc/17/21/34/585172134.db2.gz DBRMDECNINLFNQ-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP CC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000746666901 585172135 /nfs/dbraw/zinc/17/21/35/585172135.db2.gz DBRMDECNINLFNQ-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP CC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000746666901 585172136 /nfs/dbraw/zinc/17/21/36/585172136.db2.gz DBRMDECNINLFNQ-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP CC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000746666901 585172137 /nfs/dbraw/zinc/17/21/37/585172137.db2.gz DBRMDECNINLFNQ-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000886832174 585181146 /nfs/dbraw/zinc/18/11/46/585181146.db2.gz CFCHUXGCABPSGG-YIYPIFLZSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000886839879 585182720 /nfs/dbraw/zinc/18/27/20/585182720.db2.gz NUPVOKMCQLWAGR-FQUUOJAGSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000886839879 585182721 /nfs/dbraw/zinc/18/27/21/585182721.db2.gz NUPVOKMCQLWAGR-FQUUOJAGSA-N 2 1 236.359 1.097 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@H](C)C1 ZINC000755068635 585294173 /nfs/dbraw/zinc/29/41/73/585294173.db2.gz XRUYMPRZWWPKCQ-CYBMUJFWSA-N 2 1 227.396 1.354 20 0 BDADMP CN(CCF)CC[C@@H]1CCCC[N@H+]1C ZINC000759347478 585370441 /nfs/dbraw/zinc/37/04/41/585370441.db2.gz OECQAJHCMVCUBZ-NSHDSACASA-N 2 1 202.317 1.762 20 0 BDADMP C[C@H]1C[C@H](N(C)CC[NH+]2CCCC2)CC[N@H+]1C ZINC000760842860 585399082 /nfs/dbraw/zinc/39/90/82/585399082.db2.gz KTCZTQBGVMOYCD-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H]21 ZINC000761088068 585407848 /nfs/dbraw/zinc/40/78/48/585407848.db2.gz QAKDCBDRWMCDML-UPJWGTAASA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761088068 585407849 /nfs/dbraw/zinc/40/78/49/585407849.db2.gz QAKDCBDRWMCDML-UPJWGTAASA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761088068 585407850 /nfs/dbraw/zinc/40/78/50/585407850.db2.gz QAKDCBDRWMCDML-UPJWGTAASA-N 2 1 208.349 1.955 20 0 BDADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000765850312 585493295 /nfs/dbraw/zinc/49/32/95/585493295.db2.gz XGQKDQBEUNYYLI-DZGCQCFKSA-N 2 1 248.370 1.494 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000770510798 585575289 /nfs/dbraw/zinc/57/52/89/585575289.db2.gz QMJSHBBQONWYOO-LBPRGKRZSA-N 2 1 228.405 1.766 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000771799058 585600363 /nfs/dbraw/zinc/60/03/63/585600363.db2.gz JEWRGIVRSVOHTM-KBPBESRZSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CC2OCCO2)C[C@H]1C ZINC000777596159 585716305 /nfs/dbraw/zinc/71/63/05/585716305.db2.gz KNNPCVULNRWKAV-NEPJUHHUSA-N 2 1 242.363 1.164 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779340189 585751455 /nfs/dbraw/zinc/75/14/55/585751455.db2.gz HJKHRHKHGBTXJA-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CCO ZINC000779342980 585751744 /nfs/dbraw/zinc/75/17/44/585751744.db2.gz QDZYSLIDSADVST-LLVKDONJSA-N 2 1 202.342 1.077 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)CCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000779341645 585751770 /nfs/dbraw/zinc/75/17/70/585751770.db2.gz NYNXDXYXGKTALW-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)CCO)[N@H+]1CCC[C@@H](C)C1 ZINC000779341645 585751771 /nfs/dbraw/zinc/75/17/71/585751771.db2.gz NYNXDXYXGKTALW-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCO)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000779343366 585752124 /nfs/dbraw/zinc/75/21/24/585752124.db2.gz XGYDQHYVDNQNKY-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)[C@H](C[NH2+][C@H](C)CCO)[NH+]1CCCC1 ZINC000779382798 585752880 /nfs/dbraw/zinc/75/28/80/585752880.db2.gz DTIIFLGWMJASMJ-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[C@H]21)C[NH+]1CCCCC1 ZINC000781904735 585805044 /nfs/dbraw/zinc/80/50/44/585805044.db2.gz SHCKROHUKAPCJV-QWHCGFSZSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+](C)C1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788474980 585925196 /nfs/dbraw/zinc/92/51/96/585925196.db2.gz MWUNYKMUVHCLIS-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP CO[C@@H](C)C[NH+](C)CCC[N@H+](C)C[C@H](C)OC ZINC000796642631 586109106 /nfs/dbraw/zinc/10/91/06/586109106.db2.gz RCBMSOBZOMMSOM-STQMWFEESA-N 2 1 246.395 1.310 20 0 BDADMP C[N@H+]1CC[C@H](NCc2ccon2)[C@H]2CCC[C@H]21 ZINC000796788364 586112765 /nfs/dbraw/zinc/11/27/65/586112765.db2.gz JLSZVDOMDRRHCI-FRRDWIJNSA-N 2 1 235.331 1.637 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000798179439 586138632 /nfs/dbraw/zinc/13/86/32/586138632.db2.gz ALPDKCJNIZPBGM-JTQLQIEISA-N 2 1 240.347 1.154 20 0 BDADMP C[N@@H+](CCCCCCO)CCC[NH+]1CCCC1 ZINC000799174661 586164711 /nfs/dbraw/zinc/16/47/11/586164711.db2.gz QLLQGELWYJSNMF-UHFFFAOYSA-N 2 1 242.407 1.957 20 0 BDADMP Cc1cc(NCCCC[N@H+](C)C2CC2)nc(N)[nH+]1 ZINC000840316671 586620889 /nfs/dbraw/zinc/62/08/89/586620889.db2.gz RNJUXDDCTMXLQG-UHFFFAOYSA-N 2 1 249.362 1.654 20 0 BDADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817891823 586832508 /nfs/dbraw/zinc/83/25/08/586832508.db2.gz HOUIESMCOILDPX-HZSPNIEDSA-N 2 1 234.343 1.498 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000817898560 586834522 /nfs/dbraw/zinc/83/45/22/586834522.db2.gz ITSCCBYGTDLBAH-MXWKQRLJSA-N 2 1 246.445 1.423 20 0 BDADMP Cc1ncc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000817915177 586839690 /nfs/dbraw/zinc/83/96/90/586839690.db2.gz IIGOXGBNXYQYFI-BXKDBHETSA-N 2 1 239.388 1.582 20 0 BDADMP C[C@@H]([NH2+]CCCCCCO)c1c[nH+]ccc1N ZINC000817918116 586840235 /nfs/dbraw/zinc/84/02/35/586840235.db2.gz HNIMOIXSBPJWGX-LLVKDONJSA-N 2 1 237.347 1.697 20 0 BDADMP C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948175 586847059 /nfs/dbraw/zinc/84/70/59/586847059.db2.gz FWGLAOFPBODLAZ-IUODEOHRSA-N 2 1 247.386 1.275 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)C2CC2)C1 ZINC000819365996 586957529 /nfs/dbraw/zinc/95/75/29/586957529.db2.gz GJOSNCGZYUYPDO-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccns1 ZINC000860061004 589078057 /nfs/dbraw/zinc/07/80/57/589078057.db2.gz DWKTZPNNFSVXLH-VIFPVBQESA-N 2 1 236.344 1.770 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+](C)CCCn2ccnc2)C1 ZINC000821396746 587116607 /nfs/dbraw/zinc/11/66/07/587116607.db2.gz UVKHZHIPGREVRE-QWHCGFSZSA-N 2 1 237.347 1.773 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]([NH3+])CC ZINC000834826240 587767971 /nfs/dbraw/zinc/76/79/71/587767971.db2.gz KWFBJQVIXOOQPQ-LBPRGKRZSA-N 2 1 243.395 1.352 20 0 BDADMP [NH3+]CCc1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000841032966 587937009 /nfs/dbraw/zinc/93/70/09/587937009.db2.gz HYURHMPHWYWUJL-OAHLLOKOSA-N 2 1 247.386 1.420 20 0 BDADMP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C[NH2+]1 ZINC000841045026 587939113 /nfs/dbraw/zinc/93/91/13/587939113.db2.gz KXKKPTNEXGBQGB-ZRUFSTJUSA-N 2 1 244.429 1.318 20 0 BDADMP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841050163 587939801 /nfs/dbraw/zinc/93/98/01/587939801.db2.gz YJSWGTSUCJLNRN-QMMMGPOBSA-N 2 1 244.770 1.320 20 0 BDADMP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC000841051312 587939828 /nfs/dbraw/zinc/93/98/28/587939828.db2.gz NLNYDTNFYZUGIL-SSDOTTSWSA-N 2 1 230.743 1.209 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841066877 587942890 /nfs/dbraw/zinc/94/28/90/587942890.db2.gz QIQWAWBGEPRJOR-JTQLQIEISA-N 2 1 234.343 1.837 20 0 BDADMP COC[C@@H](C)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105756 587946557 /nfs/dbraw/zinc/94/65/57/587946557.db2.gz VKBPGSYCUYMTQG-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105756 587946559 /nfs/dbraw/zinc/94/65/59/587946559.db2.gz VKBPGSYCUYMTQG-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C(=O)NCCC[N@@H+]1CCCCCCC[NH3+] ZINC000842475715 588030082 /nfs/dbraw/zinc/03/00/82/588030082.db2.gz BFTVKJZPQICBIB-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843054950 588077829 /nfs/dbraw/zinc/07/78/29/588077829.db2.gz ORDNEIUEAHOCRR-WXRRBKDZSA-N 3 1 225.380 1.188 20 0 BDADMP c1c[nH+]c(C2CCN(C[C@@H]3CCC[NH2+]3)CC2)[nH]1 ZINC000843060062 588078139 /nfs/dbraw/zinc/07/81/39/588078139.db2.gz BGDRREHHUMJGHZ-LBPRGKRZSA-N 2 1 234.347 1.341 20 0 BDADMP CC(C)[N@H+](C)Cc1nc(C2CC[NH2+]CC2)no1 ZINC000843137701 588083582 /nfs/dbraw/zinc/08/35/82/588083582.db2.gz JKSFRGXBLGFYBW-UHFFFAOYSA-N 2 1 238.335 1.377 20 0 BDADMP CC(C)[N@@H+](C)Cc1nc(C2CC[NH2+]CC2)no1 ZINC000843137701 588083584 /nfs/dbraw/zinc/08/35/84/588083584.db2.gz JKSFRGXBLGFYBW-UHFFFAOYSA-N 2 1 238.335 1.377 20 0 BDADMP CCN1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843126219 588084367 /nfs/dbraw/zinc/08/43/67/588084367.db2.gz DHWCCZKKVGFBJF-UHFFFAOYSA-N 2 1 227.396 1.579 20 0 BDADMP C[C@]1(CNCc2ccc(CC[NH3+])cc2)CC[NH2+]C1 ZINC000843125758 588084475 /nfs/dbraw/zinc/08/44/75/588084475.db2.gz HJSKBKVANOLASX-HNNXBMFYSA-N 2 1 247.386 1.277 20 0 BDADMP CC[C@H](NCCCCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000843343935 588101451 /nfs/dbraw/zinc/10/14/51/588101451.db2.gz MGRWWWJFUFMLJU-STQMWFEESA-N 2 1 227.396 1.626 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1CN ZINC000843350892 588102742 /nfs/dbraw/zinc/10/27/42/588102742.db2.gz ATHNCCSUPUYYTF-UONOGXRCSA-N 2 1 241.423 1.955 20 0 BDADMP C[C@H]1CCCN(CCCCCCC[NH3+])[C@@H]1C[NH3+] ZINC000843350892 588102744 /nfs/dbraw/zinc/10/27/44/588102744.db2.gz ATHNCCSUPUYYTF-UONOGXRCSA-N 2 1 241.423 1.955 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843353970 588103045 /nfs/dbraw/zinc/10/30/45/588103045.db2.gz SXMAKQMLIWACCH-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354525 588103389 /nfs/dbraw/zinc/10/33/89/588103389.db2.gz AMULRFHYRIFARD-UHFFFAOYSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843353067 588103424 /nfs/dbraw/zinc/10/34/24/588103424.db2.gz APVGWOHUMJFUOL-ZIAGYGMSSA-N 3 1 241.423 1.955 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCc2c(C)cccc2C1 ZINC000843358609 588103819 /nfs/dbraw/zinc/10/38/19/588103819.db2.gz UAKXAYMMLBIDTJ-UHFFFAOYSA-N 2 1 218.344 1.963 20 0 BDADMP C[NH2+]CCC[N@H+]1CCc2c(C)cccc2C1 ZINC000843358609 588103820 /nfs/dbraw/zinc/10/38/20/588103820.db2.gz UAKXAYMMLBIDTJ-UHFFFAOYSA-N 2 1 218.344 1.963 20 0 BDADMP CCCCOC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843362619 588104234 /nfs/dbraw/zinc/10/42/34/588104234.db2.gz LENQZZPCENNHAH-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1[NH3+] ZINC000843378080 588105782 /nfs/dbraw/zinc/10/57/82/588105782.db2.gz ZBQDXGJVARFLTL-KGLIPLIRSA-N 3 1 241.423 1.955 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])Cc1cn[nH]c1 ZINC000844221766 588174227 /nfs/dbraw/zinc/17/42/27/588174227.db2.gz JYRVJKVGGDKFDO-UHFFFAOYSA-N 2 1 224.352 1.751 20 0 BDADMP CC[N@H+](CCc1ccccn1)CC[C@@H]1CC[NH2+]C1 ZINC000844221748 588174375 /nfs/dbraw/zinc/17/43/75/588174375.db2.gz JVPOXVJEFLLKCK-AWEZNQCLSA-N 2 1 247.386 1.946 20 0 BDADMP COC[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000846221379 588261328 /nfs/dbraw/zinc/26/13/28/588261328.db2.gz XYJKQAHLMLNVLG-QWHCGFSZSA-N 2 1 244.379 1.241 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCCCC[NH3+])[C@@H]1CC[NH3+] ZINC000846226406 588261566 /nfs/dbraw/zinc/26/15/66/588261566.db2.gz MPPFAZFWFACWSP-UONOGXRCSA-N 2 1 241.423 1.955 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCF)C1 ZINC000846227762 588261904 /nfs/dbraw/zinc/26/19/04/588261904.db2.gz HDUNOFSXQZXOKI-WOPDTQHZSA-N 2 1 230.327 1.317 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848720186 588408602 /nfs/dbraw/zinc/40/86/02/588408602.db2.gz SUDPSCWKAFRLML-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848720186 588408603 /nfs/dbraw/zinc/40/86/03/588408603.db2.gz SUDPSCWKAFRLML-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP CN(C)C(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000848981698 588424260 /nfs/dbraw/zinc/42/42/60/588424260.db2.gz UEHDZLAVPBYQSF-CYBMUJFWSA-N 2 1 248.374 1.245 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848987024 588426111 /nfs/dbraw/zinc/42/61/11/588426111.db2.gz GIFSMUSIVZLZDY-NWDGAFQWSA-N 2 1 240.395 1.772 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCC1 ZINC000848987516 588426333 /nfs/dbraw/zinc/42/63/33/588426333.db2.gz CNBBGFJYUPRNGV-LLVKDONJSA-N 2 1 224.352 1.091 20 0 BDADMP CCCCNC(=[NH2+])NCC[N@@H+](C)CCCC ZINC000849005752 588432770 /nfs/dbraw/zinc/43/27/70/588432770.db2.gz NVDIDIDBDMBWKU-UHFFFAOYSA-N 2 1 228.384 1.632 20 0 BDADMP CCCCCCNC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014638 588436315 /nfs/dbraw/zinc/43/63/15/588436315.db2.gz HITUZADBSOLRDT-UHFFFAOYSA-N 2 1 226.368 1.386 20 0 BDADMP CC(C)CCNC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000849020397 588438529 /nfs/dbraw/zinc/43/85/29/588438529.db2.gz FVZVJKWBMYGNAA-NSHDSACASA-N 2 1 249.362 1.358 20 0 BDADMP C[C@@H]1CCCN(C(=[NH2+])NCC2([NH+](C)C)CC2)C1 ZINC000849043529 588448907 /nfs/dbraw/zinc/44/89/07/588448907.db2.gz OJXISNMSXWEXAL-LLVKDONJSA-N 2 1 238.379 1.337 20 0 BDADMP CC[N@@H+](CCNC1=[NH+]CCCCN1)C(C)C ZINC000849215861 588462385 /nfs/dbraw/zinc/46/23/85/588462385.db2.gz IMIUCIRFYSGMLZ-UHFFFAOYSA-N 2 1 226.368 1.046 20 0 BDADMP COC(C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OC ZINC000852105460 588664183 /nfs/dbraw/zinc/66/41/83/588664183.db2.gz KELOFSOVRNCTSC-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OC ZINC000852105460 588664184 /nfs/dbraw/zinc/66/41/84/588664184.db2.gz KELOFSOVRNCTSC-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000852105460 588664185 /nfs/dbraw/zinc/66/41/85/588664185.db2.gz KELOFSOVRNCTSC-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000852105460 588664186 /nfs/dbraw/zinc/66/41/86/588664186.db2.gz KELOFSOVRNCTSC-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP CC1(C)CCCC[C@H]1C[N@H+](CC[NH3+])CCO ZINC000852746601 588698893 /nfs/dbraw/zinc/69/88/93/588698893.db2.gz LXKKACJLIWZZQB-LBPRGKRZSA-N 2 1 228.380 1.456 20 0 BDADMP CC1(C)CCCC[C@H]1C[N@@H+](CC[NH3+])CCO ZINC000852746601 588698894 /nfs/dbraw/zinc/69/88/94/588698894.db2.gz LXKKACJLIWZZQB-LBPRGKRZSA-N 2 1 228.380 1.456 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOC(F)F ZINC000852750408 588700042 /nfs/dbraw/zinc/70/00/42/588700042.db2.gz UMWRETCVUJWINU-SSDOTTSWSA-N 2 1 210.268 1.189 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852751292 588700302 /nfs/dbraw/zinc/70/03/02/588700302.db2.gz WHYGFSXCVMTGKA-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852751292 588700303 /nfs/dbraw/zinc/70/03/03/588700303.db2.gz WHYGFSXCVMTGKA-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP C1=CCC(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000852751383 588700356 /nfs/dbraw/zinc/70/03/56/588700356.db2.gz ZUHFPJOGXSUKFP-ZDUSSCGKSA-N 2 1 206.333 1.781 20 0 BDADMP CC(=O)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852760495 588700448 /nfs/dbraw/zinc/70/04/48/588700448.db2.gz GSPQHJRGTBKDJS-ZDUSSCGKSA-N 2 1 242.363 1.008 20 0 BDADMP CC(=O)CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852760495 588700449 /nfs/dbraw/zinc/70/04/49/588700449.db2.gz GSPQHJRGTBKDJS-ZDUSSCGKSA-N 2 1 242.363 1.008 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])C[C@H]1COCCO1 ZINC000852755895 588700485 /nfs/dbraw/zinc/70/04/85/588700485.db2.gz KLZYCNYCZVZNRV-ZDUSSCGKSA-N 2 1 244.379 1.243 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC000863484015 589293453 /nfs/dbraw/zinc/29/34/53/589293453.db2.gz GKMIVWRBORKBAP-REWJHTLYSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1CCCCCCC[NH3+] ZINC000863546560 589297635 /nfs/dbraw/zinc/29/76/35/589297635.db2.gz LBFJKYXGZJIHHP-AWEZNQCLSA-N 2 1 241.423 1.825 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1CCCCCCC[NH3+] ZINC000863546560 589297636 /nfs/dbraw/zinc/29/76/36/589297636.db2.gz LBFJKYXGZJIHHP-AWEZNQCLSA-N 2 1 241.423 1.825 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000864458395 589367927 /nfs/dbraw/zinc/36/79/27/589367927.db2.gz ZYRPQKWZWKRSFU-VIFPVBQESA-N 2 1 214.357 1.239 20 0 BDADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000864465772 589370744 /nfs/dbraw/zinc/37/07/44/589370744.db2.gz COJBIPKKKKRKJT-IJLUTSLNSA-N 2 1 238.379 1.241 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H](O)C2CCCC2)CC1 ZINC000865875698 589465679 /nfs/dbraw/zinc/46/56/79/589465679.db2.gz LBQUAHDQSYHQRZ-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000866206809 589480057 /nfs/dbraw/zinc/48/00/57/589480057.db2.gz NCSHJRRMJYGMNB-QWHCGFSZSA-N 2 1 246.358 1.624 20 0 BDADMP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000866206809 589480058 /nfs/dbraw/zinc/48/00/58/589480058.db2.gz NCSHJRRMJYGMNB-QWHCGFSZSA-N 2 1 246.358 1.624 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660117 589508081 /nfs/dbraw/zinc/50/80/81/589508081.db2.gz FPTIFPXTOYFSFK-UHFFFAOYSA-N 2 1 246.358 1.361 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866658841 589508152 /nfs/dbraw/zinc/50/81/52/589508152.db2.gz BKMKCURKOVVUPA-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP CO[C@H](C[N@H+]1CC[NH2+]CCC1(C)C)C1CCC1 ZINC000866697710 589512558 /nfs/dbraw/zinc/51/25/58/589512558.db2.gz WHRFYIPKZGQJSP-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP COCCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706712 589514535 /nfs/dbraw/zinc/51/45/35/589514535.db2.gz JYFZOLWOCWKFCA-CYBMUJFWSA-N 2 1 228.380 1.720 20 0 BDADMP Cc1cncc([C@H]2CCC[N@H+]2CCOCC[NH3+])c1 ZINC000866719807 589515171 /nfs/dbraw/zinc/51/51/71/589515171.db2.gz DJZLOSUOLNTCMT-CQSZACIVSA-N 2 1 249.358 1.502 20 0 BDADMP C1=CCC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000866724979 589516357 /nfs/dbraw/zinc/51/63/57/589516357.db2.gz QBEBSGWYHNFVGA-QWHCGFSZSA-N 2 1 206.333 1.779 20 0 BDADMP C([NH2+]C1CC1)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792287 589819840 /nfs/dbraw/zinc/81/98/40/589819840.db2.gz UMFRQIBDVJBGHI-UQPYNNQESA-N 2 1 248.330 1.320 20 0 BDADMP CC[C@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871791943 589820282 /nfs/dbraw/zinc/82/02/82/589820282.db2.gz KGMXJPGRTIWDJI-UPBARMNASA-N 2 1 236.319 1.477 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141870 589882155 /nfs/dbraw/zinc/88/21/55/589882155.db2.gz XJHWUSKGPVEATO-OLZOCXBDSA-N 2 1 238.375 1.616 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872144441 589884296 /nfs/dbraw/zinc/88/42/96/589884296.db2.gz ZBOHKZGUIPWBBQ-AVGNSLFASA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872145592 589884375 /nfs/dbraw/zinc/88/43/75/589884375.db2.gz UKGWWFHESCZCGS-NDBYEHHHSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@H]1C[N@H+](CCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872153484 589884963 /nfs/dbraw/zinc/88/49/63/589884963.db2.gz CNZYJLYQOFCWPG-DTWKUNHWSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872153484 589884965 /nfs/dbraw/zinc/88/49/65/589884965.db2.gz CNZYJLYQOFCWPG-DTWKUNHWSA-N 2 1 240.269 1.377 20 0 BDADMP FC(F)[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000872146794 589885065 /nfs/dbraw/zinc/88/50/65/589885065.db2.gz XKLQDQMULUBCFP-LLVKDONJSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000872146794 589885067 /nfs/dbraw/zinc/88/50/67/589885067.db2.gz XKLQDQMULUBCFP-LLVKDONJSA-N 2 1 248.317 1.342 20 0 BDADMP COC(=O)CC[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000872154809 589886064 /nfs/dbraw/zinc/88/60/64/589886064.db2.gz ZDZVITBMZWQFCG-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000872154499 589886359 /nfs/dbraw/zinc/88/63/59/589886359.db2.gz RKDOXHXKDVWJBJ-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CCC(=O)OC)C1 ZINC000872154244 589886403 /nfs/dbraw/zinc/88/64/03/589886403.db2.gz OWFNFUPLDMHTEG-LBPRGKRZSA-N 2 1 242.363 1.261 20 0 BDADMP O[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1F)C[NH+]1CCCC1 ZINC000872219062 589896240 /nfs/dbraw/zinc/89/62/40/589896240.db2.gz QWUWFZUYURRZRE-RWMBFGLXSA-N 2 1 244.354 1.313 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315057 589909899 /nfs/dbraw/zinc/90/98/99/589909899.db2.gz LCXLLFUEPIANGF-MJBXVCDLSA-N 2 1 238.375 1.772 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234286 590000467 /nfs/dbraw/zinc/00/04/67/590000467.db2.gz DIOGRRCTTSNSTR-TUAOUCFPSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000873237563 590003725 /nfs/dbraw/zinc/00/37/25/590003725.db2.gz QYXAOSVTMRVCDE-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873237607 590004014 /nfs/dbraw/zinc/00/40/14/590004014.db2.gz RWJIVOSUJTVJBD-SRVKXCTJSA-N 2 1 226.364 1.532 20 0 BDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873241304 590006014 /nfs/dbraw/zinc/00/60/14/590006014.db2.gz GCCTZVRTXCADPM-NWDGAFQWSA-N 2 1 237.322 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)[C@@H](C)O1 ZINC000873237924 590006059 /nfs/dbraw/zinc/00/60/59/590006059.db2.gz VOJQWZPYZYMRRT-LPWJVIDDSA-N 2 1 240.391 1.920 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000873281336 590018642 /nfs/dbraw/zinc/01/86/42/590018642.db2.gz HSJAMMAGIZQRIF-GRYCIOLGSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000877153042 590292729 /nfs/dbraw/zinc/29/27/29/590292729.db2.gz DUUBBIJMFAVSMV-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP C[C@H]1CCC[N@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000877153042 590292730 /nfs/dbraw/zinc/29/27/30/590292730.db2.gz DUUBBIJMFAVSMV-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP CSC1(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000877743769 590410725 /nfs/dbraw/zinc/41/07/25/590410725.db2.gz YFZVQLQDOCXVJR-NWDGAFQWSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000877743769 590410726 /nfs/dbraw/zinc/41/07/26/590410726.db2.gz YFZVQLQDOCXVJR-NWDGAFQWSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000877743769 590410727 /nfs/dbraw/zinc/41/07/27/590410727.db2.gz YFZVQLQDOCXVJR-NWDGAFQWSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000877743769 590410728 /nfs/dbraw/zinc/41/07/28/590410728.db2.gz YFZVQLQDOCXVJR-NWDGAFQWSA-N 2 1 240.416 1.908 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC=CO3)CC[C@H]21 ZINC000877743780 590411786 /nfs/dbraw/zinc/41/17/86/590411786.db2.gz YGSSTQGRIFIXCK-MGPQQGTHSA-N 2 1 236.359 1.705 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC=CO3)CC[C@H]21 ZINC000877743780 590411788 /nfs/dbraw/zinc/41/17/88/590411788.db2.gz YGSSTQGRIFIXCK-MGPQQGTHSA-N 2 1 236.359 1.705 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)CC[C@H]21 ZINC000877743780 590411791 /nfs/dbraw/zinc/41/17/91/590411791.db2.gz YGSSTQGRIFIXCK-MGPQQGTHSA-N 2 1 236.359 1.705 20 0 BDADMP CC(C)(O)[C@H]1CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000877837411 590432443 /nfs/dbraw/zinc/43/24/43/590432443.db2.gz ZXQPTPDXTVBBPC-NSHDSACASA-N 2 1 249.358 1.422 20 0 BDADMP Cc1conc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000877969423 590462451 /nfs/dbraw/zinc/46/24/51/590462451.db2.gz AGSVLUVDNDLNJV-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000878162261 590511403 /nfs/dbraw/zinc/51/14/03/590511403.db2.gz CQCPQFCDAJBIKO-MQYQWHSLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000878162261 590511406 /nfs/dbraw/zinc/51/14/06/590511406.db2.gz CQCPQFCDAJBIKO-MQYQWHSLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000878162261 590511408 /nfs/dbraw/zinc/51/14/08/590511408.db2.gz CQCPQFCDAJBIKO-MQYQWHSLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000878162261 590511410 /nfs/dbraw/zinc/51/14/10/590511410.db2.gz CQCPQFCDAJBIKO-MQYQWHSLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000878162261 590511413 /nfs/dbraw/zinc/51/14/13/590511413.db2.gz CQCPQFCDAJBIKO-MQYQWHSLSA-N 2 1 240.391 1.826 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000127020788 590533568 /nfs/dbraw/zinc/53/35/68/590533568.db2.gz COSIZUSZUNQQEW-WDEREUQCSA-N 2 1 205.305 1.564 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511717 590583601 /nfs/dbraw/zinc/58/36/01/590583601.db2.gz HFMYXXPEBZRTOZ-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511715 590584090 /nfs/dbraw/zinc/58/40/90/590584090.db2.gz HFMYXXPEBZRTOZ-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@@H](O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000878549157 590591000 /nfs/dbraw/zinc/59/10/00/590591000.db2.gz BPPKKFJMOXKMRW-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP CSCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571078 590806482 /nfs/dbraw/zinc/80/64/82/590806482.db2.gz HOCVCBOKJNQUPC-WDEREUQCSA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571078 590806488 /nfs/dbraw/zinc/80/64/88/590806488.db2.gz HOCVCBOKJNQUPC-WDEREUQCSA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879571078 590806491 /nfs/dbraw/zinc/80/64/91/590806491.db2.gz HOCVCBOKJNQUPC-WDEREUQCSA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571078 590806495 /nfs/dbraw/zinc/80/64/95/590806495.db2.gz HOCVCBOKJNQUPC-WDEREUQCSA-N 2 1 214.378 1.375 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC000879572878 590800025 /nfs/dbraw/zinc/80/00/25/590800025.db2.gz KDMKFIIDQYQIMT-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCC3)CC[C@@H]21 ZINC000879572878 590800016 /nfs/dbraw/zinc/80/00/16/590800016.db2.gz KDMKFIIDQYQIMT-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCC3)CC[C@@H]21 ZINC000879572878 590800019 /nfs/dbraw/zinc/80/00/19/590800019.db2.gz KDMKFIIDQYQIMT-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC000879572878 590800022 /nfs/dbraw/zinc/80/00/22/590800022.db2.gz KDMKFIIDQYQIMT-OLZOCXBDSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(F)(F)F)CC[C@@H]21 ZINC000879573017 590809987 /nfs/dbraw/zinc/80/99/87/590809987.db2.gz KWYBZPJHXKRLND-UWVGGRQHSA-N 2 1 236.281 1.965 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(F)(F)F)CC[C@@H]21 ZINC000879573017 590809989 /nfs/dbraw/zinc/80/99/89/590809989.db2.gz KWYBZPJHXKRLND-UWVGGRQHSA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]21 ZINC000879573017 590809990 /nfs/dbraw/zinc/80/99/90/590809990.db2.gz KWYBZPJHXKRLND-UWVGGRQHSA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]21 ZINC000879573017 590809993 /nfs/dbraw/zinc/80/99/93/590809993.db2.gz KWYBZPJHXKRLND-UWVGGRQHSA-N 2 1 236.281 1.965 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572905 590810028 /nfs/dbraw/zinc/81/00/28/590810028.db2.gz KTEDLQDLAWLCOS-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572905 590810031 /nfs/dbraw/zinc/81/00/31/590810031.db2.gz KTEDLQDLAWLCOS-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572905 590810032 /nfs/dbraw/zinc/81/00/32/590810032.db2.gz KTEDLQDLAWLCOS-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572905 590810035 /nfs/dbraw/zinc/81/00/35/590810035.db2.gz KTEDLQDLAWLCOS-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CSCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571498 590810639 /nfs/dbraw/zinc/81/06/39/590810639.db2.gz AQWYGJQKVLUGSV-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571498 590810644 /nfs/dbraw/zinc/81/06/44/590810644.db2.gz AQWYGJQKVLUGSV-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879571498 590810649 /nfs/dbraw/zinc/81/06/49/590810649.db2.gz AQWYGJQKVLUGSV-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571498 590810652 /nfs/dbraw/zinc/81/06/52/590810652.db2.gz AQWYGJQKVLUGSV-RYUDHWBXSA-N 2 1 228.405 1.766 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCF)CC[C@H]21 ZINC000879577549 590813573 /nfs/dbraw/zinc/81/35/73/590813573.db2.gz YANASPRHYZRBCW-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCF)CC[C@H]21 ZINC000879577549 590813576 /nfs/dbraw/zinc/81/35/76/590813576.db2.gz YANASPRHYZRBCW-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCF)CC[C@H]21 ZINC000879577549 590813579 /nfs/dbraw/zinc/81/35/79/590813579.db2.gz YANASPRHYZRBCW-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC000879577549 590813581 /nfs/dbraw/zinc/81/35/81/590813581.db2.gz YANASPRHYZRBCW-GHMZBOCLSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@@H]2CN(C[C@H]3CCC[N@@H+]3C)CC[C@H]21 ZINC000879579054 590816998 /nfs/dbraw/zinc/81/69/98/590816998.db2.gz IXLFVTXVQWMIEF-MGPQQGTHSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579054 590817001 /nfs/dbraw/zinc/81/70/01/590817001.db2.gz IXLFVTXVQWMIEF-MGPQQGTHSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579054 590817002 /nfs/dbraw/zinc/81/70/02/590817002.db2.gz IXLFVTXVQWMIEF-MGPQQGTHSA-N 2 1 237.391 1.107 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580047 590818368 /nfs/dbraw/zinc/81/83/68/590818368.db2.gz DPYYZRVZYVEYIW-ZIAGYGMSSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580047 590818371 /nfs/dbraw/zinc/81/83/71/590818371.db2.gz DPYYZRVZYVEYIW-ZIAGYGMSSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580047 590818376 /nfs/dbraw/zinc/81/83/76/590818376.db2.gz DPYYZRVZYVEYIW-ZIAGYGMSSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)COCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580047 590818378 /nfs/dbraw/zinc/81/83/78/590818378.db2.gz DPYYZRVZYVEYIW-ZIAGYGMSSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]c(CO)c2)C[C@H](C)[N@@H+]1C ZINC000128049141 590884952 /nfs/dbraw/zinc/88/49/52/590884952.db2.gz VKKWWWMOAHTWIT-PHIMTYICSA-N 2 1 235.331 1.103 20 0 BDADMP Cc1nn(C)cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000128275295 590955906 /nfs/dbraw/zinc/95/59/06/590955906.db2.gz NJOUGZDUBBUNII-UHFFFAOYSA-N 2 1 236.363 1.430 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259378 590979298 /nfs/dbraw/zinc/97/92/98/590979298.db2.gz RHWGTANXJFBVNI-QWHCGFSZSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCO)CCN1c1cc[nH+]cc1 ZINC000880262962 590980857 /nfs/dbraw/zinc/98/08/57/590980857.db2.gz UOAOFDFPZNSVMG-CYBMUJFWSA-N 2 1 249.358 1.365 20 0 BDADMP COC(=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880470766 591051634 /nfs/dbraw/zinc/05/16/34/591051634.db2.gz MOAQFSKWTBSAJV-UHFFFAOYSA-N 2 1 240.347 1.110 20 0 BDADMP COC(=O)c1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000130267718 591453350 /nfs/dbraw/zinc/45/33/50/591453350.db2.gz GHUJQUKVTJHCMA-LLVKDONJSA-N 2 1 248.326 1.254 20 0 BDADMP COC(=O)c1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000130267718 591453351 /nfs/dbraw/zinc/45/33/51/591453351.db2.gz GHUJQUKVTJHCMA-LLVKDONJSA-N 2 1 248.326 1.254 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@@H](C)C1 ZINC000883269667 591603062 /nfs/dbraw/zinc/60/30/62/591603062.db2.gz RSMXPCCUVOPGBK-XDQVBPFNSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@@H](C)C1 ZINC000883321105 591616088 /nfs/dbraw/zinc/61/60/88/591616088.db2.gz LNTMBCDWYOQIQA-FQUUOJAGSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]1C[C@@H](N(C)C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000883424542 591658358 /nfs/dbraw/zinc/65/83/58/591658358.db2.gz WHICXNDDBJOJEA-CYDGBPFRSA-N 2 1 243.370 1.101 20 0 BDADMP C=C/C=C\CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000883436781 591665162 /nfs/dbraw/zinc/66/51/62/591665162.db2.gz AMXFECQMTDXBAL-RSNNXLNZSA-N 2 1 206.333 1.932 20 0 BDADMP [NH3+]CCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883462046 591673478 /nfs/dbraw/zinc/67/34/78/591673478.db2.gz IWLZUNSVYCTBDS-AWEZNQCLSA-N 2 1 240.391 1.864 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@](C)(O)C(F)F)CC[C@@H]21 ZINC000886310746 592205467 /nfs/dbraw/zinc/20/54/67/592205467.db2.gz UGXWCMKGYRQFDN-JFGNBEQYSA-N 2 1 248.317 1.029 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@](C)(O)C(F)F)CC[C@@H]21 ZINC000886310746 592205468 /nfs/dbraw/zinc/20/54/68/592205468.db2.gz UGXWCMKGYRQFDN-JFGNBEQYSA-N 2 1 248.317 1.029 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@](C)(O)C(F)F)CC[C@@H]21 ZINC000886310746 592205469 /nfs/dbraw/zinc/20/54/69/592205469.db2.gz UGXWCMKGYRQFDN-JFGNBEQYSA-N 2 1 248.317 1.029 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@](C)(O)C(F)F)CC[C@@H]21 ZINC000886310746 592205470 /nfs/dbraw/zinc/20/54/70/592205470.db2.gz UGXWCMKGYRQFDN-JFGNBEQYSA-N 2 1 248.317 1.029 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@]12CCOC2)C1CC[NH2+]CC1 ZINC000886827151 592351701 /nfs/dbraw/zinc/35/17/01/592351701.db2.gz FTWAHXRFYXPYRR-DGCLKSJQSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886829434 592352201 /nfs/dbraw/zinc/35/22/01/592352201.db2.gz AFQLXNVJEGFUBQ-YIYPIFLZSA-N 2 1 236.359 1.239 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886829434 592352202 /nfs/dbraw/zinc/35/22/02/592352202.db2.gz AFQLXNVJEGFUBQ-YIYPIFLZSA-N 2 1 236.359 1.239 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886838122 592356970 /nfs/dbraw/zinc/35/69/70/592356970.db2.gz RJJUCFFHOYPPKZ-UPJWGTAASA-N 2 1 224.348 1.084 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886838381 592358732 /nfs/dbraw/zinc/35/87/32/592358732.db2.gz WOHIEHLOPGQCNB-BFHYXJOUSA-N 2 1 238.375 1.474 20 0 BDADMP Cn1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000886872156 592377659 /nfs/dbraw/zinc/37/76/59/592377659.db2.gz KXDCYGJVTPCCOQ-AWEZNQCLSA-N 2 1 248.374 1.386 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000886872156 592377664 /nfs/dbraw/zinc/37/76/64/592377664.db2.gz KXDCYGJVTPCCOQ-AWEZNQCLSA-N 2 1 248.374 1.386 20 0 BDADMP CC[N@@H+]1CC[C@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000887323960 592480736 /nfs/dbraw/zinc/48/07/36/592480736.db2.gz NJOCGROFGFWGTF-LBPRGKRZSA-N 2 1 238.379 1.337 20 0 BDADMP CC[N@H+]1CC[C@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000887323960 592480740 /nfs/dbraw/zinc/48/07/40/592480740.db2.gz NJOCGROFGFWGTF-LBPRGKRZSA-N 2 1 238.379 1.337 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300334460 592507231 /nfs/dbraw/zinc/50/72/31/592507231.db2.gz UXTWVBZKFLYGEL-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300334460 592507234 /nfs/dbraw/zinc/50/72/34/592507234.db2.gz UXTWVBZKFLYGEL-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@H]([NH3+])[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000925705096 634385572 /nfs/dbraw/zinc/38/55/72/634385572.db2.gz HSNVMROVTDAQES-MXYBEHONSA-N 2 1 247.386 1.792 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000925705096 634385566 /nfs/dbraw/zinc/38/55/66/634385566.db2.gz HSNVMROVTDAQES-MXYBEHONSA-N 3 1 247.386 1.792 20 0 BDADMP Cc1cncc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000925707613 634395485 /nfs/dbraw/zinc/39/54/85/634395485.db2.gz PHIKZXSIODPSLY-DGCLKSJQSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1(F)F ZINC000925707428 634395963 /nfs/dbraw/zinc/39/59/63/634395963.db2.gz JFKWZVYOEDMPHA-NXEZZACHSA-N 2 1 230.302 1.906 20 0 BDADMP Cc1cncc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000925707615 634396603 /nfs/dbraw/zinc/39/66/03/634396603.db2.gz PHIKZXSIODPSLY-YPMHNXCESA-N 2 1 234.347 1.058 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000299995818 634405360 /nfs/dbraw/zinc/40/53/60/634405360.db2.gz MTADJXULERDSCG-CHWSQXEVSA-N 2 1 226.364 1.208 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925714208 634419187 /nfs/dbraw/zinc/41/91/87/634419187.db2.gz WZAMRQVSYHMORX-CYBMUJFWSA-N 2 1 241.423 1.694 20 0 BDADMP COC1CC(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925714753 634434196 /nfs/dbraw/zinc/43/41/96/634434196.db2.gz WCSJRRWVQGGUSU-WTIISPKJSA-N 2 1 226.364 1.532 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000310114985 634572320 /nfs/dbraw/zinc/57/23/20/634572320.db2.gz GUOAIZZYZHCLAY-IHRRRGAJSA-N 2 1 238.375 1.474 20 0 BDADMP Cc1c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000093651380 634579404 /nfs/dbraw/zinc/57/94/04/634579404.db2.gz CIZQNIOTOKCUPD-ZYHUDNBSSA-N 2 1 236.363 1.288 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000423445153 634603364 /nfs/dbraw/zinc/60/33/64/634603364.db2.gz XNYWGVQHWJXOJZ-ZYHUDNBSSA-N 2 1 236.363 1.894 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925829460 635459942 /nfs/dbraw/zinc/45/99/42/635459942.db2.gz BZZIGEGYCKZYAH-XJFOESAGSA-N 2 1 238.375 1.533 20 0 BDADMP CCC[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000308720649 631557707 /nfs/dbraw/zinc/55/77/07/631557707.db2.gz CHXLNKKMYGTAHP-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CCC[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000308720649 631557711 /nfs/dbraw/zinc/55/77/11/631557711.db2.gz CHXLNKKMYGTAHP-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000234696340 631663948 /nfs/dbraw/zinc/66/39/48/631663948.db2.gz YOOAFENGWDBCRT-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C1=CC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]3)C[C@@H]2C1 ZINC000308899948 631723625 /nfs/dbraw/zinc/72/36/25/631723625.db2.gz DOHLSKHUYGABQL-FRRDWIJNSA-N 2 1 206.333 1.636 20 0 BDADMP CC1(C)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309056082 631832419 /nfs/dbraw/zinc/83/24/19/631832419.db2.gz AWTASMMFHAOOJN-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309056082 631832423 /nfs/dbraw/zinc/83/24/23/631832423.db2.gz AWTASMMFHAOOJN-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000309056608 631833211 /nfs/dbraw/zinc/83/32/11/631833211.db2.gz PURBFGXJFOPDGH-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC=CO2)C1 ZINC000190204992 631892579 /nfs/dbraw/zinc/89/25/79/631892579.db2.gz QKKXXJHZRMAVNK-KGLIPLIRSA-N 2 1 238.375 1.953 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000190204992 631892581 /nfs/dbraw/zinc/89/25/81/631892581.db2.gz QKKXXJHZRMAVNK-KGLIPLIRSA-N 2 1 238.375 1.953 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000190204992 631892585 /nfs/dbraw/zinc/89/25/85/631892585.db2.gz QKKXXJHZRMAVNK-KGLIPLIRSA-N 2 1 238.375 1.953 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052043290 632054270 /nfs/dbraw/zinc/05/42/70/632054270.db2.gz AKIBHFRAORHAEP-LLVKDONJSA-N 2 1 240.395 1.629 20 0 BDADMP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)no1 ZINC000063200559 632538153 /nfs/dbraw/zinc/53/81/53/632538153.db2.gz IXALSJZBIBCPLP-AWEZNQCLSA-N 2 1 249.358 1.947 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCN1CCCCCC1 ZINC000089150313 632657695 /nfs/dbraw/zinc/65/76/95/632657695.db2.gz JACMSRULYNUOCA-ZIAGYGMSSA-N 2 1 239.407 1.579 20 0 BDADMP CN(C)c1nc(N[C@@H]2CCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000089106021 632658951 /nfs/dbraw/zinc/65/89/51/632658951.db2.gz JDBXBJCDKHGKOT-NXEZZACHSA-N 2 1 235.335 1.082 20 0 BDADMP COCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154775621 632841020 /nfs/dbraw/zinc/84/10/20/632841020.db2.gz QTCDBPIVVAIJPQ-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCCCCO ZINC000309301885 632914045 /nfs/dbraw/zinc/91/40/45/632914045.db2.gz UGJKCATWIZDIEC-LBPRGKRZSA-N 2 1 216.369 1.502 20 0 BDADMP CCc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)nc(C)[nH+]1 ZINC000229599737 632980943 /nfs/dbraw/zinc/98/09/43/632980943.db2.gz AXGJAOLMNIRMLG-BXKDBHETSA-N 2 1 234.347 1.900 20 0 BDADMP C[C@@H]1OCC[C@@H]1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580873 635868059 /nfs/dbraw/zinc/86/80/59/635868059.db2.gz VGYDEOXNBWNGFS-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580873 635868061 /nfs/dbraw/zinc/86/80/61/635868061.db2.gz VGYDEOXNBWNGFS-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580873 635868067 /nfs/dbraw/zinc/86/80/67/635868067.db2.gz VGYDEOXNBWNGFS-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580873 635868069 /nfs/dbraw/zinc/86/80/69/635868069.db2.gz VGYDEOXNBWNGFS-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580873 635868073 /nfs/dbraw/zinc/86/80/73/635868073.db2.gz VGYDEOXNBWNGFS-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCCCO1 ZINC000328563297 633777284 /nfs/dbraw/zinc/77/72/84/633777284.db2.gz JBQVDFFLZHYYCG-GMDXDWKASA-N 2 1 236.359 1.142 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC1SCCS1 ZINC000853023349 633796763 /nfs/dbraw/zinc/79/67/63/633796763.db2.gz UPEAMPKHYCYMOH-JTQLQIEISA-N 2 1 246.445 1.866 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCC1SCCS1 ZINC000853023349 633796766 /nfs/dbraw/zinc/79/67/66/633796766.db2.gz UPEAMPKHYCYMOH-JTQLQIEISA-N 2 1 246.445 1.866 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925503085 633828205 /nfs/dbraw/zinc/82/82/05/633828205.db2.gz MWAAJCWIPBRCLT-RYUDHWBXSA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925503437 633828921 /nfs/dbraw/zinc/82/89/21/633828921.db2.gz JRFQLXMBOCGKFW-RYUDHWBXSA-N 2 1 240.391 1.658 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925509917 633849030 /nfs/dbraw/zinc/84/90/30/633849030.db2.gz PVMWKUDOETYUTQ-NEPJUHHUSA-N 2 1 225.380 1.201 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000925529479 633919662 /nfs/dbraw/zinc/91/96/62/633919662.db2.gz DWKAGRMEQIXBEA-YRGRVCCFSA-N 2 1 240.391 1.658 20 0 BDADMP CO[C@@H](C[NH2+]C1CCN(C)CC1)C(F)(F)F ZINC000309937004 633965460 /nfs/dbraw/zinc/96/54/60/633965460.db2.gz AJWYLQVFWPMJOF-VIFPVBQESA-N 2 1 240.269 1.248 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000309955501 633978957 /nfs/dbraw/zinc/97/89/57/633978957.db2.gz IBIHXAOATKLVJS-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982581 634024387 /nfs/dbraw/zinc/02/43/87/634024387.db2.gz IPFTVAJCJOMAAR-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000309982543 634024831 /nfs/dbraw/zinc/02/48/31/634024831.db2.gz FFENFJVDSOTMTD-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000309982543 634024837 /nfs/dbraw/zinc/02/48/37/634024837.db2.gz FFENFJVDSOTMTD-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309983955 634028320 /nfs/dbraw/zinc/02/83/20/634028320.db2.gz YARCZRZJEUPNAY-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925559634 634038700 /nfs/dbraw/zinc/03/87/00/634038700.db2.gz ZCSVBFOJBGRUAU-QWHCGFSZSA-N 2 1 237.391 1.201 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925559632 634039625 /nfs/dbraw/zinc/03/96/25/634039625.db2.gz ZCSVBFOJBGRUAU-CHWSQXEVSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925565757 634058933 /nfs/dbraw/zinc/05/89/33/634058933.db2.gz XSXYQKCQQUIVHM-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925578545 634078102 /nfs/dbraw/zinc/07/81/02/634078102.db2.gz WVKJGADXRGFXHN-STQMWFEESA-N 2 1 239.407 1.591 20 0 BDADMP CS[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925585668 634092920 /nfs/dbraw/zinc/09/29/20/634092920.db2.gz JGPNFHJXJJZRGP-DTWKUNHWSA-N 2 1 202.367 1.468 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC12CCOCC2 ZINC000925679729 634275946 /nfs/dbraw/zinc/27/59/46/634275946.db2.gz DHHPBPVYRDZJAF-RWMBFGLXSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC12CCOCC2 ZINC000925679728 634276637 /nfs/dbraw/zinc/27/66/37/634276637.db2.gz DHHPBPVYRDZJAF-AVGNSLFASA-N 2 1 238.375 1.533 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925681947 634285776 /nfs/dbraw/zinc/28/57/76/634285776.db2.gz ZFIOFQNJQQPWON-WDEREUQCSA-N 2 1 214.353 1.532 20 0 BDADMP COCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CCCC1 ZINC000925688102 634305586 /nfs/dbraw/zinc/30/55/86/634305586.db2.gz BOGFDOQPZZXFSD-OLZOCXBDSA-N 2 1 240.391 1.923 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925692420 634325847 /nfs/dbraw/zinc/32/58/47/634325847.db2.gz KEWZFYPOOSXSCC-NDBYEHHHSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925698120 634363308 /nfs/dbraw/zinc/36/33/08/634363308.db2.gz BZEJCTSTDSBZBZ-DGCLKSJQSA-N 2 1 221.348 1.403 20 0 BDADMP C[C@H]([NH3+])[C@H](NCC(F)(F)C[NH3+])c1ccccc1 ZINC000925698701 634364323 /nfs/dbraw/zinc/36/43/23/634364323.db2.gz LSANWRPGHATRAW-ONGXEEELSA-N 2 1 243.301 1.259 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NCC1(C)CC[NH2+]CC1 ZINC000925699344 634366058 /nfs/dbraw/zinc/36/60/58/634366058.db2.gz OGGSQPIBRJJBJN-NSHDSACASA-N 2 1 225.380 1.106 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@H](NCC(F)(F)C[NH3+])C1 ZINC000925700873 634371951 /nfs/dbraw/zinc/37/19/51/634371951.db2.gz XCTUDMVSQOCTQT-IUCAKERBSA-N 2 1 235.322 1.076 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000925702168 634375731 /nfs/dbraw/zinc/37/57/31/634375731.db2.gz AAIOQXGGWIDCHA-GWNIPJSYSA-N 2 1 208.349 1.905 20 0 BDADMP CCOc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000259132266 635245148 /nfs/dbraw/zinc/24/51/48/635245148.db2.gz QSHCGZRMQGNZPB-UHFFFAOYSA-N 2 1 220.316 1.666 20 0 BDADMP Cc1cc(C[NH2+]CC2([NH3+])CC2)ccc1F ZINC000259198064 635248955 /nfs/dbraw/zinc/24/89/55/635248955.db2.gz WGTIDVXFALFVJC-UHFFFAOYSA-N 2 1 208.280 1.715 20 0 BDADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)n(C)n1 ZINC000925782752 635279337 /nfs/dbraw/zinc/27/93/37/635279337.db2.gz AIZBWTGQHZMBRS-USWWRNFRSA-N 2 1 236.363 1.235 20 0 BDADMP CN(C)c1ccnc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000925813489 635373808 /nfs/dbraw/zinc/37/38/08/635373808.db2.gz UIMMVJVNXVIIIO-FZMZJTMJSA-N 2 1 248.374 1.365 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000227497918 635450551 /nfs/dbraw/zinc/45/05/51/635450551.db2.gz YMNBTYAMECPSPR-UWVGGRQHSA-N 2 1 235.335 1.262 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925860445 635553648 /nfs/dbraw/zinc/55/36/48/635553648.db2.gz YRVWZPCCCXBBHW-NWDGAFQWSA-N 2 1 226.364 1.412 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CCO ZINC000925184653 636361924 /nfs/dbraw/zinc/36/19/24/636361924.db2.gz DOSMHXYIWQDZOF-FUNVUKJBSA-N 2 1 240.391 1.325 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccncc1 ZINC000925279781 636705996 /nfs/dbraw/zinc/70/59/96/636705996.db2.gz QNUNTOVHHXIGIT-YIONKMFJSA-N 2 1 245.370 1.554 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000866704327 636933802 /nfs/dbraw/zinc/93/38/02/636933802.db2.gz SSVYOGQFPQVMEW-NWDGAFQWSA-N 2 1 226.364 1.079 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CCCOCC1)C[NH+](C)C ZINC000926958068 636970912 /nfs/dbraw/zinc/97/09/12/636970912.db2.gz DVSBBJOFYUKWBI-STQMWFEESA-N 2 1 244.379 1.112 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H]1CC)C[NH+](C)C ZINC000926958001 636971159 /nfs/dbraw/zinc/97/11/59/636971159.db2.gz DLNUDBIFUCLWEG-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C)C(C)(C)OC)C[NH+](C)C ZINC000926957427 636971405 /nfs/dbraw/zinc/97/14/05/636971405.db2.gz BNGFUXKDRJKAQD-NEPJUHHUSA-N 2 1 246.395 1.356 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C)CC1CC1)C[NH+](C)C ZINC000926960697 636973700 /nfs/dbraw/zinc/97/37/00/636973700.db2.gz GRVQOOUVYKXJJK-AAEUAGOBSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)CC1CC1)C[NH+](C)C ZINC000926960699 636975107 /nfs/dbraw/zinc/97/51/07/636975107.db2.gz GRVQOOUVYKXJJK-WCQYABFASA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](CC)C1CC1)C[NH+](C)C ZINC000926965104 636976567 /nfs/dbraw/zinc/97/65/67/636976567.db2.gz PAFYMWASBGZOTG-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C)CC)C[NH+](C)C ZINC000926966843 636977965 /nfs/dbraw/zinc/97/79/65/636977965.db2.gz YKHREESUFGYTPX-MNOVXSKESA-N 2 1 202.342 1.341 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](COC)C(C)C)C[NH+](C)C ZINC000926966054 636977971 /nfs/dbraw/zinc/97/79/71/636977971.db2.gz VNVVHNPRCJYDJR-STQMWFEESA-N 2 1 246.395 1.214 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704248 637013034 /nfs/dbraw/zinc/01/30/34/637013034.db2.gz CDSPJNFJYRBPCI-RYUDHWBXSA-N 2 1 249.358 1.780 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCCCO1 ZINC000054602361 637035954 /nfs/dbraw/zinc/03/59/54/637035954.db2.gz DPKIPJBIFBQZDN-GSPSYOTPSA-N 2 1 238.375 1.900 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H](O)C1CC1 ZINC000903412042 637359320 /nfs/dbraw/zinc/35/93/20/637359320.db2.gz RXGGECQKXSFZCD-WJLOJVBCSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000903566247 637372072 /nfs/dbraw/zinc/37/20/72/637372072.db2.gz NDFLHLRCWXDXAE-MBNYWOFBSA-N 2 1 248.374 1.413 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000903566247 637372076 /nfs/dbraw/zinc/37/20/76/637372076.db2.gz NDFLHLRCWXDXAE-MBNYWOFBSA-N 2 1 248.374 1.413 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nc1 ZINC000903788210 637382580 /nfs/dbraw/zinc/38/25/80/637382580.db2.gz FWYBQQFDQBGQAD-VXGBXAGGSA-N 2 1 234.347 1.202 20 0 BDADMP C[N@@H+](Cc1cccc(=O)[nH]1)C[C@@H]1CCCC[NH2+]C1 ZINC000903788310 637382648 /nfs/dbraw/zinc/38/26/48/637382648.db2.gz IHERUFHINYZEOD-GFCCVEGCSA-N 2 1 249.358 1.609 20 0 BDADMP C[N@H+](Cc1cccc(=O)[nH]1)C[C@@H]1CCCC[NH2+]C1 ZINC000903788310 637382657 /nfs/dbraw/zinc/38/26/57/637382657.db2.gz IHERUFHINYZEOD-GFCCVEGCSA-N 2 1 249.358 1.609 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000903789248 637384422 /nfs/dbraw/zinc/38/44/22/637384422.db2.gz VNYAYMUZEBXPEV-UONOGXRCSA-N 2 1 245.370 1.740 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000904433036 637400783 /nfs/dbraw/zinc/40/07/83/637400783.db2.gz JNZUDRIXLNGWEQ-CYBMUJFWSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@]12C[C@H]1CCC2)CC(F)F ZINC000904442700 637411694 /nfs/dbraw/zinc/41/16/94/637411694.db2.gz FANIUJVZKFFHAI-NQMVMOMDSA-N 2 1 204.264 1.501 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000904450811 637417918 /nfs/dbraw/zinc/41/79/18/637417918.db2.gz SXGQIMWAODQYOJ-UHFFFAOYSA-N 2 1 216.288 1.144 20 0 BDADMP CC[NH2+][C@@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308252 637765436 /nfs/dbraw/zinc/76/54/36/637765436.db2.gz GTFMMCUJXNVCDW-VIFPVBQESA-N 2 1 238.335 1.282 20 0 BDADMP [NH3+]C1(c2noc(/C=C\[C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000905329993 637778343 /nfs/dbraw/zinc/77/83/43/637778343.db2.gz HTWIHCDMWXSHBU-TYRPZCRBSA-N 2 1 234.303 1.030 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)C1CC1)C1CC1 ZINC000905641604 637880115 /nfs/dbraw/zinc/88/01/15/637880115.db2.gz SYRLUBICXLGMRW-ZDUSSCGKSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)C1CC1)C1CC1 ZINC000905641604 637880118 /nfs/dbraw/zinc/88/01/18/637880118.db2.gz SYRLUBICXLGMRW-ZDUSSCGKSA-N 2 1 240.391 1.467 20 0 BDADMP COc1ccc(C)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906507996 638179049 /nfs/dbraw/zinc/17/90/49/638179049.db2.gz GNYLMXFDFVJDIX-HAQNSBGRSA-N 2 1 220.316 1.583 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 ZINC000906507989 638180416 /nfs/dbraw/zinc/18/04/16/638180416.db2.gz GANKJEMXKZGSAY-KYZUINATSA-N 2 1 211.334 1.339 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2nccc3ccccc32)C1 ZINC000906509576 638181824 /nfs/dbraw/zinc/18/18/24/638181824.db2.gz KAMMDWDPMFIHCZ-UHFFFAOYSA-N 2 1 227.311 1.814 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000906508582 638182096 /nfs/dbraw/zinc/18/20/96/638182096.db2.gz QQLBYXXRBTVXSU-KYZUINATSA-N 2 1 212.243 1.544 20 0 BDADMP CCc1ncc(C[NH2+]C2CC([NH3+])C2)s1 ZINC000906509290 638182108 /nfs/dbraw/zinc/18/21/08/638182108.db2.gz FTWCRTZAUAJOTF-UHFFFAOYSA-N 2 1 211.334 1.285 20 0 BDADMP COC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C(C)C ZINC000931278328 640129632 /nfs/dbraw/zinc/12/96/32/640129632.db2.gz WHTISWQQSQCDQL-IGQOVBAYSA-N 2 1 240.391 1.397 20 0 BDADMP COC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C(C)C ZINC000931278328 640129637 /nfs/dbraw/zinc/12/96/37/640129637.db2.gz WHTISWQQSQCDQL-IGQOVBAYSA-N 2 1 240.391 1.397 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2CN(CCc3ccccc3)C[C@H]21 ZINC000931279846 640132766 /nfs/dbraw/zinc/13/27/66/640132766.db2.gz IOMHUIZYXCPJRN-FICVDOATSA-N 2 1 230.355 1.721 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21 ZINC000931279846 640132776 /nfs/dbraw/zinc/13/27/76/640132776.db2.gz IOMHUIZYXCPJRN-FICVDOATSA-N 2 1 230.355 1.721 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC000931279846 640132782 /nfs/dbraw/zinc/13/27/82/640132782.db2.gz IOMHUIZYXCPJRN-FICVDOATSA-N 2 1 230.355 1.721 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3C=CCCC3)C[C@H]21 ZINC000931280511 640135491 /nfs/dbraw/zinc/13/54/91/640135491.db2.gz ZKLVVFBNPWFVGF-WUHRBBMRSA-N 2 1 206.333 1.587 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3C=CCCC3)C[C@H]21 ZINC000931280511 640135497 /nfs/dbraw/zinc/13/54/97/640135497.db2.gz ZKLVVFBNPWFVGF-WUHRBBMRSA-N 2 1 206.333 1.587 20 0 BDADMP CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281145 640135573 /nfs/dbraw/zinc/13/55/73/640135573.db2.gz OUXGVHHJHQMLNB-ITGUQSILSA-N 2 1 210.365 1.914 20 0 BDADMP CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281145 640135579 /nfs/dbraw/zinc/13/55/79/640135579.db2.gz OUXGVHHJHQMLNB-ITGUQSILSA-N 2 1 210.365 1.914 20 0 BDADMP COCC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931306585 640142183 /nfs/dbraw/zinc/14/21/83/640142183.db2.gz BGBJCIUVIXMAES-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP COCC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931306585 640142188 /nfs/dbraw/zinc/14/21/88/640142188.db2.gz BGBJCIUVIXMAES-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP COCC[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931306585 640142194 /nfs/dbraw/zinc/14/21/94/640142194.db2.gz BGBJCIUVIXMAES-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP COCC[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931306585 640142200 /nfs/dbraw/zinc/14/22/00/640142200.db2.gz BGBJCIUVIXMAES-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309364 640147101 /nfs/dbraw/zinc/14/71/01/640147101.db2.gz QSHAONOFUHXKMM-STQMWFEESA-N 2 1 210.365 1.916 20 0 BDADMP COC[C@H](C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312725 640147184 /nfs/dbraw/zinc/14/71/84/640147184.db2.gz YVCKSSFLFOAMOV-AVGNSLFASA-N 2 1 226.364 1.295 20 0 BDADMP C[NH+]1C[C@@]2(C)C[NH+](CC3(C)COC3)C[C@]2(C)C1 ZINC000931312426 640147402 /nfs/dbraw/zinc/14/74/02/640147402.db2.gz XLJYRZCTLLIITD-KBPBESRZSA-N 2 1 238.375 1.297 20 0 BDADMP CN1C[C@]2(C)C[N@H+](CCn3ccnc3)C[C@]2(C)C1 ZINC000931310361 640148405 /nfs/dbraw/zinc/14/84/05/640148405.db2.gz DQFIFHBACJSHOL-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP CN1C[C@]2(C)C[N@@H+](CCn3ccnc3)C[C@]2(C)C1 ZINC000931310361 640148409 /nfs/dbraw/zinc/14/84/09/640148409.db2.gz DQFIFHBACJSHOL-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3ccno3)C[C@@H]2C1 ZINC000931431597 640198387 /nfs/dbraw/zinc/19/83/87/640198387.db2.gz BNNZVUWBNMPJMV-MNOVXSKESA-N 2 1 221.304 1.058 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccno3)C[C@@H]2C1 ZINC000931431597 640198389 /nfs/dbraw/zinc/19/83/89/640198389.db2.gz BNNZVUWBNMPJMV-MNOVXSKESA-N 2 1 221.304 1.058 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccno3)C[C@@H]2C1 ZINC000931431597 640198395 /nfs/dbraw/zinc/19/83/95/640198395.db2.gz BNNZVUWBNMPJMV-MNOVXSKESA-N 2 1 221.304 1.058 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccno3)C[C@@H]2C1 ZINC000931431597 640198399 /nfs/dbraw/zinc/19/83/99/640198399.db2.gz BNNZVUWBNMPJMV-MNOVXSKESA-N 2 1 221.304 1.058 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccno3)C[C@@H]2C1 ZINC000931431597 640198403 /nfs/dbraw/zinc/19/84/03/640198403.db2.gz BNNZVUWBNMPJMV-MNOVXSKESA-N 2 1 221.304 1.058 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)n3)C[C@@H]2C1 ZINC000931438839 640201569 /nfs/dbraw/zinc/20/15/69/640201569.db2.gz QBGHNUUOCIIPRC-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)n3)C[C@@H]2C1 ZINC000931438839 640201572 /nfs/dbraw/zinc/20/15/72/640201572.db2.gz QBGHNUUOCIIPRC-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(F)n3)C[C@@H]2C1 ZINC000931438839 640201575 /nfs/dbraw/zinc/20/15/75/640201575.db2.gz QBGHNUUOCIIPRC-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(F)n3)C[C@@H]2C1 ZINC000931438839 640201579 /nfs/dbraw/zinc/20/15/79/640201579.db2.gz QBGHNUUOCIIPRC-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP Cc1cnc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cn1 ZINC000931433661 640202454 /nfs/dbraw/zinc/20/24/54/640202454.db2.gz HEDLQJURLALZCH-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1cnc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cn1 ZINC000931433661 640202457 /nfs/dbraw/zinc/20/24/57/640202457.db2.gz HEDLQJURLALZCH-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931433661 640202463 /nfs/dbraw/zinc/20/24/63/640202463.db2.gz HEDLQJURLALZCH-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931433661 640202466 /nfs/dbraw/zinc/20/24/66/640202466.db2.gz HEDLQJURLALZCH-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1cncc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC000931438299 640202991 /nfs/dbraw/zinc/20/29/91/640202991.db2.gz WNWSAHBSQTVYCC-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1cncc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC000931438299 640202997 /nfs/dbraw/zinc/20/29/97/640202997.db2.gz WNWSAHBSQTVYCC-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC000931438299 640203000 /nfs/dbraw/zinc/20/30/00/640203000.db2.gz WNWSAHBSQTVYCC-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n1 ZINC000931439693 640206914 /nfs/dbraw/zinc/20/69/14/640206914.db2.gz QNGPEVXQKVFNSO-KGLIPLIRSA-N 2 1 245.370 1.774 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n1 ZINC000931439693 640206922 /nfs/dbraw/zinc/20/69/22/640206922.db2.gz QNGPEVXQKVFNSO-KGLIPLIRSA-N 2 1 245.370 1.774 20 0 BDADMP CC[C@@H](C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000931441251 640207509 /nfs/dbraw/zinc/20/75/09/640207509.db2.gz FTVLPHDIQFHAAJ-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@H](C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)OC ZINC000931441251 640207514 /nfs/dbraw/zinc/20/75/14/640207514.db2.gz FTVLPHDIQFHAAJ-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@H](C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)OC ZINC000931441251 640207521 /nfs/dbraw/zinc/20/75/21/640207521.db2.gz FTVLPHDIQFHAAJ-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC000931441379 640208157 /nfs/dbraw/zinc/20/81/57/640208157.db2.gz HHLPBAKUGCFGRE-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC000931441379 640208165 /nfs/dbraw/zinc/20/81/65/640208165.db2.gz HHLPBAKUGCFGRE-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC000931441379 640208171 /nfs/dbraw/zinc/20/81/71/640208171.db2.gz HHLPBAKUGCFGRE-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP Nc1ccnc2c1C[N@@H+](CC1CC1)CC2 ZINC000931511639 640241772 /nfs/dbraw/zinc/24/17/72/640241772.db2.gz CQLJUIJTROXPMX-UHFFFAOYSA-N 2 1 203.289 1.432 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](CC1CC1)CC2 ZINC000931511639 640241801 /nfs/dbraw/zinc/24/18/01/640241801.db2.gz CQLJUIJTROXPMX-UHFFFAOYSA-N 2 1 203.289 1.432 20 0 BDADMP C[C@@H](C1CC1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515220 640243539 /nfs/dbraw/zinc/24/35/39/640243539.db2.gz BGOSZHSMBMBNHX-VIFPVBQESA-N 2 1 217.316 1.820 20 0 BDADMP C[C@@H](C1CC1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515220 640243549 /nfs/dbraw/zinc/24/35/49/640243549.db2.gz BGOSZHSMBMBNHX-VIFPVBQESA-N 2 1 217.316 1.820 20 0 BDADMP COC(C)(C)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518522 640248545 /nfs/dbraw/zinc/24/85/45/640248545.db2.gz KSBFEPRXLONOCD-UHFFFAOYSA-N 2 1 249.358 1.837 20 0 BDADMP COC(C)(C)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518522 640248551 /nfs/dbraw/zinc/24/85/51/640248551.db2.gz KSBFEPRXLONOCD-UHFFFAOYSA-N 2 1 249.358 1.837 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC[NH+]3CCCC3)CC[C@H]21 ZINC000931548270 640268049 /nfs/dbraw/zinc/26/80/49/640268049.db2.gz XIRXQWCKUWKYHG-ZIAGYGMSSA-N 2 1 237.391 1.108 20 0 BDADMP COC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717843 640335858 /nfs/dbraw/zinc/33/58/58/640335858.db2.gz DSIVPFYAHXVCQS-UTUOFQBUSA-N 2 1 212.337 1.190 20 0 BDADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCF ZINC000931724519 640337965 /nfs/dbraw/zinc/33/79/65/640337965.db2.gz DAAFPXANYRXBDW-WDEREUQCSA-N 2 1 200.301 1.515 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCCF ZINC000931724519 640337968 /nfs/dbraw/zinc/33/79/68/640337968.db2.gz DAAFPXANYRXBDW-WDEREUQCSA-N 2 1 200.301 1.515 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCCF ZINC000931724519 640337970 /nfs/dbraw/zinc/33/79/70/640337970.db2.gz DAAFPXANYRXBDW-WDEREUQCSA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000044515326 640400006 /nfs/dbraw/zinc/40/00/06/640400006.db2.gz PTAFQADPBQXFGW-UHFFFAOYSA-N 3 1 225.380 1.012 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000932348975 640490844 /nfs/dbraw/zinc/49/08/44/640490844.db2.gz CWLZMKAEWZITGZ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCOC1 ZINC000222820293 640509434 /nfs/dbraw/zinc/50/94/34/640509434.db2.gz BMQZTPMXZXJSEN-DUJLVANISA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000223934465 640594450 /nfs/dbraw/zinc/59/44/50/640594450.db2.gz KDRXCKFHUDCNPO-NDBYEHHHSA-N 2 1 210.365 1.962 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC[C@H]3CCCO3)C[C@]2(C)C1 ZINC000933733005 640757994 /nfs/dbraw/zinc/75/79/94/640757994.db2.gz YKUHYONWDXFXJR-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@]2(C)C1 ZINC000933733005 640757999 /nfs/dbraw/zinc/75/79/99/640757999.db2.gz YKUHYONWDXFXJR-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@]2(C)C1 ZINC000933733005 640758001 /nfs/dbraw/zinc/75/80/01/640758001.db2.gz YKUHYONWDXFXJR-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@]2(C)C1 ZINC000933734872 640758178 /nfs/dbraw/zinc/75/81/78/640758178.db2.gz XYYZOEVJDAUTPZ-OCCSQVGLSA-N 2 1 247.342 1.171 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@]2(C)C1 ZINC000933734872 640758184 /nfs/dbraw/zinc/75/81/84/640758184.db2.gz XYYZOEVJDAUTPZ-OCCSQVGLSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc[nH]c(=O)c3)C[C@]2(C)C1 ZINC000933734872 640758189 /nfs/dbraw/zinc/75/81/89/640758189.db2.gz XYYZOEVJDAUTPZ-OCCSQVGLSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc[nH]c(=O)c3)C[C@]2(C)C1 ZINC000933734872 640758193 /nfs/dbraw/zinc/75/81/93/640758193.db2.gz XYYZOEVJDAUTPZ-OCCSQVGLSA-N 2 1 247.342 1.171 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)C1CC1 ZINC000933734217 640760711 /nfs/dbraw/zinc/76/07/11/640760711.db2.gz QLHOVWFSTOCEMX-BFHYXJOUSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C1CC1 ZINC000933734217 640760717 /nfs/dbraw/zinc/76/07/17/640760717.db2.gz QLHOVWFSTOCEMX-BFHYXJOUSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)C1CC1 ZINC000933734217 640760719 /nfs/dbraw/zinc/76/07/19/640760719.db2.gz QLHOVWFSTOCEMX-BFHYXJOUSA-N 2 1 238.375 1.295 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCOC3CC3)C[C@]2(C)C1 ZINC000933734014 640761402 /nfs/dbraw/zinc/76/14/02/640761402.db2.gz ZPKCWDQHMQWNHB-YPMHNXCESA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCOC3CC3)C[C@]2(C)C1 ZINC000933734014 640761409 /nfs/dbraw/zinc/76/14/09/640761409.db2.gz ZPKCWDQHMQWNHB-YPMHNXCESA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCOC3CC3)C[C@]2(C)C1 ZINC000933734014 640761417 /nfs/dbraw/zinc/76/14/17/640761417.db2.gz ZPKCWDQHMQWNHB-YPMHNXCESA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCOC3CC3)C[C@]2(C)C1 ZINC000933734014 640761422 /nfs/dbraw/zinc/76/14/22/640761422.db2.gz ZPKCWDQHMQWNHB-YPMHNXCESA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCCCCCO)CC1 ZINC000226839392 640802586 /nfs/dbraw/zinc/80/25/86/640802586.db2.gz HQUZNWFDHWNWQO-UHFFFAOYSA-N 2 1 242.407 1.955 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCCCCCO)CC1 ZINC000226839392 640802588 /nfs/dbraw/zinc/80/25/88/640802588.db2.gz HQUZNWFDHWNWQO-UHFFFAOYSA-N 2 1 242.407 1.955 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000227057447 640813883 /nfs/dbraw/zinc/81/38/83/640813883.db2.gz HGVGXSSHDHLWKI-KWQFWETISA-N 2 1 239.388 1.929 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000227057447 640813888 /nfs/dbraw/zinc/81/38/88/640813888.db2.gz HGVGXSSHDHLWKI-KWQFWETISA-N 2 1 239.388 1.929 20 0 BDADMP C[N@H+](CCNC(=[NH2+])NC1CCCC1)C1CC1 ZINC000060394450 640858622 /nfs/dbraw/zinc/85/86/22/640858622.db2.gz LXXCJUUZMXUANV-UHFFFAOYSA-N 2 1 224.352 1.137 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])NC1CCCC1)C1CC1 ZINC000060394450 640858624 /nfs/dbraw/zinc/85/86/24/640858624.db2.gz LXXCJUUZMXUANV-UHFFFAOYSA-N 2 1 224.352 1.137 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000230314086 641046385 /nfs/dbraw/zinc/04/63/85/641046385.db2.gz JBXNIGCPVRZBTO-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@H]1CC[C@H]1[N@H+](C)CCCc1c[nH+]cn1C ZINC000934110364 641073650 /nfs/dbraw/zinc/07/36/50/641073650.db2.gz ZEIGPNVMFNCRBC-OLZOCXBDSA-N 2 1 237.347 1.462 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCCc1c[nH+]cn1C ZINC000934110364 641073652 /nfs/dbraw/zinc/07/36/52/641073652.db2.gz ZEIGPNVMFNCRBC-OLZOCXBDSA-N 2 1 237.347 1.462 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@H+](C)CCn1cc[nH+]c1C ZINC000934111847 641076609 /nfs/dbraw/zinc/07/66/09/641076609.db2.gz PRZBQPWTCUAJHX-RYUDHWBXSA-N 2 1 223.320 1.301 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1C ZINC000934111847 641076617 /nfs/dbraw/zinc/07/66/17/641076617.db2.gz PRZBQPWTCUAJHX-RYUDHWBXSA-N 2 1 223.320 1.301 20 0 BDADMP C[N@@H+](CCc1ccncc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862153 641100693 /nfs/dbraw/zinc/10/06/93/641100693.db2.gz LDFHWPQIWFCZFV-HNNXBMFYSA-N 2 1 247.386 1.946 20 0 BDADMP C[C@@]1(C[N@H+]2CCCOCC2)CCC[NH2+]C1 ZINC000062868029 641104107 /nfs/dbraw/zinc/10/41/07/641104107.db2.gz ICQFFKFSQQMVJP-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP Cn1nccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231035316 641128015 /nfs/dbraw/zinc/12/80/15/641128015.db2.gz MMPSGKNJRDOAKP-TZMCWYRMSA-N 2 1 248.374 1.179 20 0 BDADMP Cn1ccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199835 641144880 /nfs/dbraw/zinc/14/48/80/641144880.db2.gz PAGGMSNVEJGTBJ-ZDUSSCGKSA-N 2 1 248.374 1.384 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(C)=O)C1 ZINC000173782780 641200997 /nfs/dbraw/zinc/20/09/97/641200997.db2.gz UYIAOQLLSFTDRM-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(C)=O)C1 ZINC000173782780 641201002 /nfs/dbraw/zinc/20/10/02/641201002.db2.gz UYIAOQLLSFTDRM-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934622733 641219816 /nfs/dbraw/zinc/21/98/16/641219816.db2.gz WDGOHHSDMLYQAL-MGPQQGTHSA-N 2 1 240.391 1.632 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H](O)CC1CCCC1 ZINC000232148806 641248554 /nfs/dbraw/zinc/24/85/54/641248554.db2.gz NFNUGZYOSVYTMP-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP C([NH2+]C[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000232451937 641272325 /nfs/dbraw/zinc/27/23/25/641272325.db2.gz PFCIOJIGUTVZLG-NWDGAFQWSA-N 2 1 212.337 1.145 20 0 BDADMP Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)c(C)c[nH+]1 ZINC000935014715 641319666 /nfs/dbraw/zinc/31/96/66/641319666.db2.gz JGRBLYMFTPJCAZ-UHFFFAOYSA-N 2 1 249.358 1.837 20 0 BDADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000157435056 641618867 /nfs/dbraw/zinc/61/88/67/641618867.db2.gz NBUHZLGPWAINLL-HZSPNIEDSA-N 2 1 237.391 1.202 20 0 BDADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000157435056 641618872 /nfs/dbraw/zinc/61/88/72/641618872.db2.gz NBUHZLGPWAINLL-HZSPNIEDSA-N 3 1 237.391 1.202 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000157435056 641618879 /nfs/dbraw/zinc/61/88/79/641618879.db2.gz NBUHZLGPWAINLL-HZSPNIEDSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H](NC(=O)CCCCC[NH3+])CC[N@H+]1C ZINC000157841777 641625518 /nfs/dbraw/zinc/62/55/18/641625518.db2.gz CIZFOCNLRYRHLA-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCSC(F)(F)F)C1 ZINC000123637410 641873826 /nfs/dbraw/zinc/87/38/26/641873826.db2.gz VQYDOAGWNZVUKO-HTQZYQBOSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCSC(F)(F)F)C1 ZINC000123637410 641873828 /nfs/dbraw/zinc/87/38/28/641873828.db2.gz VQYDOAGWNZVUKO-HTQZYQBOSA-N 2 1 242.310 1.909 20 0 BDADMP C[NH+](C)CCSC[C@H]1CCC[N@H+]1C ZINC000917193754 642028526 /nfs/dbraw/zinc/02/85/26/642028526.db2.gz LDYYVQIRIJKRTQ-SNVBAGLBSA-N 2 1 202.367 1.375 20 0 BDADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(N)=[NH2+])C1CC1 ZINC000248534935 642389175 /nfs/dbraw/zinc/38/91/75/642389175.db2.gz JUWRMDZZGHLBIH-CYBMUJFWSA-N 2 1 246.358 1.380 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)[C@H](C)C1 ZINC000179567352 642729455 /nfs/dbraw/zinc/72/94/55/642729455.db2.gz WNTLGBRHQVUBCP-NEPJUHHUSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)[C@H](C)C1 ZINC000179567352 642729460 /nfs/dbraw/zinc/72/94/60/642729460.db2.gz WNTLGBRHQVUBCP-NEPJUHHUSA-N 2 1 242.363 1.069 20 0 BDADMP NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000068041927 642733768 /nfs/dbraw/zinc/73/37/68/642733768.db2.gz QWBJVSHECYSICO-GFCCVEGCSA-N 2 1 238.379 1.514 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000068908856 642808868 /nfs/dbraw/zinc/80/88/68/642808868.db2.gz SAEXEZFDMFGBAC-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)C2CC2)CC1 ZINC000068908856 642808869 /nfs/dbraw/zinc/80/88/69/642808869.db2.gz SAEXEZFDMFGBAC-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000071147364 643103120 /nfs/dbraw/zinc/10/31/20/643103120.db2.gz VUTQFJHXSYODFV-CQSZACIVSA-N 2 1 248.370 1.915 20 0 BDADMP CC[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183870454 643174549 /nfs/dbraw/zinc/17/45/49/643174549.db2.gz QPKFCELMIFNWBM-ODWCKFRGSA-N 2 1 226.364 1.362 20 0 BDADMP C1SCC1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000307279702 643428341 /nfs/dbraw/zinc/42/83/41/643428341.db2.gz XPJCZGMMLGDIPQ-ONGXEEELSA-N 2 1 212.362 1.318 20 0 BDADMP CCc1cnc(C[NH2+]CCC(C)(C)[NH3+])s1 ZINC000234145381 643519114 /nfs/dbraw/zinc/51/91/14/643519114.db2.gz IUSRDSZIUVJCJJ-UHFFFAOYSA-N 2 1 227.377 1.923 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C/C=C\Cl)CC12CCOCC2 ZINC000846220383 643647896 /nfs/dbraw/zinc/64/78/96/643647896.db2.gz HUYARHJZOYJBBJ-WYEHYUNLSA-N 2 1 244.766 1.426 20 0 BDADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245285 643661302 /nfs/dbraw/zinc/66/13/02/643661302.db2.gz HRDYZOOMXYWRBI-CYBMUJFWSA-N 2 1 247.342 1.426 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015079 643678981 /nfs/dbraw/zinc/67/89/81/643678981.db2.gz IJILCLZVDGZALN-FVCCEPFGSA-N 2 1 226.364 1.613 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921968717 643834819 /nfs/dbraw/zinc/83/48/19/643834819.db2.gz NHOUQCYKYUFCMN-UHFFFAOYSA-N 2 1 233.315 1.139 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)C[NH+](C)C ZINC000922757665 644088210 /nfs/dbraw/zinc/08/82/10/644088210.db2.gz JLTXKALJOOKFIY-YNEHKIRRSA-N 2 1 244.379 1.110 20 0 BDADMP CCO[C@H](C[NH2+]C1CCCC1)C[NH+](C)C ZINC000922760189 644089287 /nfs/dbraw/zinc/08/92/87/644089287.db2.gz KBVDGDULBSIIAD-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP C[NH2+]C[C@H]1CCCN1c1cc[nH+]cc1Cl ZINC000086840573 644186444 /nfs/dbraw/zinc/18/64/44/644186444.db2.gz YKHSLACLFBTPNJ-SECBINFHSA-N 2 1 225.723 1.923 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000923280249 644311070 /nfs/dbraw/zinc/31/10/70/644311070.db2.gz FZHUCMCOPMAUFN-GXTWGEPZSA-N 2 1 234.343 1.309 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923288099 644321655 /nfs/dbraw/zinc/32/16/55/644321655.db2.gz HKMYJBJAMILVAN-IHRRRGAJSA-N 2 1 242.407 1.843 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923288869 644322807 /nfs/dbraw/zinc/32/28/07/644322807.db2.gz CYMMCAVXNZSWRO-HUUCEWRRSA-N 2 1 248.370 1.131 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000923293615 644329094 /nfs/dbraw/zinc/32/90/94/644329094.db2.gz ZGWCDUXOAKFCQX-UONOGXRCSA-N 2 1 234.343 1.013 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000923293615 644329095 /nfs/dbraw/zinc/32/90/95/644329095.db2.gz ZGWCDUXOAKFCQX-UONOGXRCSA-N 2 1 234.343 1.013 20 0 BDADMP CCc1ncc(C[N@@H+](C)C2CCC([NH3+])CC2)o1 ZINC000923294994 644332938 /nfs/dbraw/zinc/33/29/38/644332938.db2.gz SHJFGXHNXRRXDG-UHFFFAOYSA-N 2 1 237.347 1.939 20 0 BDADMP CCc1ccc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923297952 644335382 /nfs/dbraw/zinc/33/53/82/644335382.db2.gz QHOAFFNKWWYURI-KKUMJFAQSA-N 2 1 248.370 1.531 20 0 BDADMP CC[N@@H+](Cc1cccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301627 644337427 /nfs/dbraw/zinc/33/74/27/644337427.db2.gz IWTRQHXIPPHONH-DLOVCJGASA-N 2 1 240.372 1.421 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313636 644341894 /nfs/dbraw/zinc/34/18/94/644341894.db2.gz IICPBVICFQOVOI-IJLUTSLNSA-N 2 1 224.348 1.095 20 0 BDADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000923315779 644343655 /nfs/dbraw/zinc/34/36/55/644343655.db2.gz JUFWJHAQFMVWFQ-XQQFMLRXSA-N 2 1 236.359 1.382 20 0 BDADMP CCC[N@@H+](C[C@H](O)CSC)C1CC[NH2+]CC1 ZINC000923327900 644347476 /nfs/dbraw/zinc/34/74/76/644347476.db2.gz SWTGUUFVQGNHQM-LBPRGKRZSA-N 2 1 246.420 1.174 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000923330776 644350693 /nfs/dbraw/zinc/35/06/93/644350693.db2.gz IOCNDTFWJVXEMD-VHDGCEQUSA-N 2 1 248.370 1.698 20 0 BDADMP CCc1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000923327109 644352270 /nfs/dbraw/zinc/35/22/70/644352270.db2.gz KWSZNVBCUVPHFA-UHFFFAOYSA-N 2 1 249.358 1.813 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](O)CCC(C)C)CC[C@@H]1[NH3+] ZINC000923346013 644365275 /nfs/dbraw/zinc/36/52/75/644365275.db2.gz SWQQHKQQXKEVMD-MCIONIFRSA-N 2 1 242.407 1.843 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368495 644381573 /nfs/dbraw/zinc/38/15/73/644381573.db2.gz QIPDMTJRVOVWLO-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000923368495 644381580 /nfs/dbraw/zinc/38/15/80/644381580.db2.gz QIPDMTJRVOVWLO-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363140 644388727 /nfs/dbraw/zinc/38/87/27/644388727.db2.gz VIMJZSKCPQZKTR-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923375870 644390114 /nfs/dbraw/zinc/39/01/14/644390114.db2.gz QUPMPCRLYCOJBJ-IHRRRGAJSA-N 2 1 242.407 1.700 20 0 BDADMP CC[C@H](O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383510 644396956 /nfs/dbraw/zinc/39/69/56/644396956.db2.gz IXMVXWFFETWTMW-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000923385821 644400306 /nfs/dbraw/zinc/40/03/06/644400306.db2.gz DJZBMAITHFOOLG-FZMZJTMJSA-N 2 1 249.358 1.798 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000923385821 644400312 /nfs/dbraw/zinc/40/03/12/644400312.db2.gz DJZBMAITHFOOLG-FZMZJTMJSA-N 2 1 249.358 1.798 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000923409149 644411019 /nfs/dbraw/zinc/41/10/19/644411019.db2.gz AIPBDPYJIQLSBY-VHSXEESVSA-N 2 1 223.320 1.264 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000923409149 644411023 /nfs/dbraw/zinc/41/10/23/644411023.db2.gz AIPBDPYJIQLSBY-VHSXEESVSA-N 2 1 223.320 1.264 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000923410564 644411759 /nfs/dbraw/zinc/41/17/59/644411759.db2.gz IIMHALVLXLUJNJ-VHDGCEQUSA-N 2 1 248.370 1.117 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000923412796 644413302 /nfs/dbraw/zinc/41/33/02/644413302.db2.gz BLABINRVKKVNNM-VXGBXAGGSA-N 2 1 240.416 1.813 20 0 BDADMP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ncc[nH]1 ZINC000923414115 644417355 /nfs/dbraw/zinc/41/73/55/644417355.db2.gz KAVWPBJQSRJFSZ-YHWZYXNKSA-N 2 1 248.374 1.762 20 0 BDADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ncc[nH]1 ZINC000923414115 644417358 /nfs/dbraw/zinc/41/73/58/644417358.db2.gz KAVWPBJQSRJFSZ-YHWZYXNKSA-N 2 1 248.374 1.762 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CCC[NH2+]C3CC3)CC[C@H]21 ZINC000923413886 644417427 /nfs/dbraw/zinc/41/74/27/644417427.db2.gz JNKRNKPIFSHILV-GXTWGEPZSA-N 2 1 237.391 1.155 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923422731 644420588 /nfs/dbraw/zinc/42/05/88/644420588.db2.gz XMLGHEYHYSOFMT-GFCCVEGCSA-N 2 1 224.348 1.430 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923422731 644420590 /nfs/dbraw/zinc/42/05/90/644420590.db2.gz XMLGHEYHYSOFMT-GFCCVEGCSA-N 2 1 224.348 1.430 20 0 BDADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](CCO)C1)C1CCCC1 ZINC000923428714 644421345 /nfs/dbraw/zinc/42/13/45/644421345.db2.gz YVEFIIVHZLFMCJ-OCCSQVGLSA-N 2 1 240.391 1.598 20 0 BDADMP COC[C@@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000923455951 644436303 /nfs/dbraw/zinc/43/63/03/644436303.db2.gz BDAHUYDVNXHTRC-BFHYXJOUSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000923455951 644436308 /nfs/dbraw/zinc/43/63/08/644436308.db2.gz BDAHUYDVNXHTRC-BFHYXJOUSA-N 2 1 240.391 1.589 20 0 BDADMP Cc1conc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488072 644462870 /nfs/dbraw/zinc/46/28/70/644462870.db2.gz CZZLHSAKUZTYKD-KOLCDFICSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1C[NH3+] ZINC000923495887 644463635 /nfs/dbraw/zinc/46/36/35/644463635.db2.gz DVCZSFMOBIZZGM-ZYHUDNBSSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C[NH3+] ZINC000923488784 644465952 /nfs/dbraw/zinc/46/59/52/644465952.db2.gz GTOHKBHTADZZFM-XGFWRYKXSA-N 2 1 222.376 1.949 20 0 BDADMP Cc1csc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000086403416 644466820 /nfs/dbraw/zinc/46/68/20/644466820.db2.gz XMLNTMFRJVPMPL-NXEZZACHSA-N 2 1 225.361 1.811 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CC[C@H]1C[NH3+] ZINC000923491894 644467002 /nfs/dbraw/zinc/46/70/02/644467002.db2.gz UXTXOTGPMHTBJR-OUAUKWLOSA-N 2 1 248.317 1.327 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1C[NH3+] ZINC000923491772 644467317 /nfs/dbraw/zinc/46/73/17/644467317.db2.gz UDOKAQUUIFZRNE-AAEUAGOBSA-N 2 1 208.349 1.869 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492297 644467870 /nfs/dbraw/zinc/46/78/70/644467870.db2.gz BMMOFGAZBAJHCY-GRYCIOLGSA-N 2 1 234.347 1.454 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493928 644469473 /nfs/dbraw/zinc/46/94/73/644469473.db2.gz JKESLHVMBBOWDW-AAEUAGOBSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923502022 644469721 /nfs/dbraw/zinc/46/97/21/644469721.db2.gz WBJOGBJGEHZXCE-GXTWGEPZSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1C[NH3+] ZINC000923494446 644471372 /nfs/dbraw/zinc/47/13/72/644471372.db2.gz XPQYNQIEAVUEIB-RFGFWPKPSA-N 2 1 238.375 1.330 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515849 644480712 /nfs/dbraw/zinc/48/07/12/644480712.db2.gz OPROINVVOLLRIH-BFHYXJOUSA-N 2 1 240.391 1.325 20 0 BDADMP c1cc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)sn1 ZINC000923515992 644480745 /nfs/dbraw/zinc/48/07/45/644480745.db2.gz PWDTXHORUBWARE-WDEREUQCSA-N 2 1 237.372 1.227 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516192 644481181 /nfs/dbraw/zinc/48/11/81/644481181.db2.gz URTAYLKWDMWHIU-PDWCTOEPSA-N 2 1 220.360 1.574 20 0 BDADMP [NH3+]CCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526394 644484760 /nfs/dbraw/zinc/48/47/60/644484760.db2.gz PKHKCPNTMNVTTO-CHWSQXEVSA-N 2 1 208.349 1.846 20 0 BDADMP COCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530639 644487687 /nfs/dbraw/zinc/48/76/87/644487687.db2.gz LCYDIGKTISHZIG-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP COCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530639 644487693 /nfs/dbraw/zinc/48/76/93/644487693.db2.gz LCYDIGKTISHZIG-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCCC[C@@H]2CO)C1 ZINC000923530110 644488508 /nfs/dbraw/zinc/48/85/08/644488508.db2.gz GERWOUJWCANHKL-YNEHKIRRSA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533744 644490401 /nfs/dbraw/zinc/49/04/01/644490401.db2.gz NWMGTQDHQBMPDY-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533744 644490404 /nfs/dbraw/zinc/49/04/04/644490404.db2.gz NWMGTQDHQBMPDY-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP COC[C@@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000923557008 644501986 /nfs/dbraw/zinc/50/19/86/644501986.db2.gz IXPVYJOPMVLMPI-CYBMUJFWSA-N 2 1 244.379 1.243 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089147957 644535399 /nfs/dbraw/zinc/53/53/99/644535399.db2.gz SFNMPHFUIHIZRL-OCCSQVGLSA-N 3 1 239.407 1.576 20 0 BDADMP CCN1CCC([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749298 644565552 /nfs/dbraw/zinc/56/55/52/644565552.db2.gz KROIPAPPMUIBRN-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749298 644565557 /nfs/dbraw/zinc/56/55/57/644565557.db2.gz KROIPAPPMUIBRN-ZDUSSCGKSA-N 3 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749298 644565561 /nfs/dbraw/zinc/56/55/61/644565561.db2.gz KROIPAPPMUIBRN-ZDUSSCGKSA-N 3 1 239.407 1.402 20 0 BDADMP COCCC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678207 644697876 /nfs/dbraw/zinc/69/78/76/644697876.db2.gz QXDDSHGJAMYYGV-AGUYFDCRSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOC1 ZINC000249965492 644745947 /nfs/dbraw/zinc/74/59/47/644745947.db2.gz FOMNXUJDLOODIA-GSPSYOTPSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000250792572 644780619 /nfs/dbraw/zinc/78/06/19/644780619.db2.gz KBAPCZLUZXITHJ-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000250797676 644780933 /nfs/dbraw/zinc/78/09/33/644780933.db2.gz MULGBWQEHZIKNE-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@H]1CCCO1 ZINC000251075938 644790990 /nfs/dbraw/zinc/79/09/90/644790990.db2.gz GJIMRMWLRUBUMH-WTUNAVPPSA-N 2 1 238.375 1.900 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@H]1CCCO1 ZINC000251075938 644790994 /nfs/dbraw/zinc/79/09/94/644790994.db2.gz GJIMRMWLRUBUMH-WTUNAVPPSA-N 2 1 238.375 1.900 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251455452 644804880 /nfs/dbraw/zinc/80/48/80/644804880.db2.gz UFCQMJACQQTLNM-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCOC1 ZINC000252231422 644843577 /nfs/dbraw/zinc/84/35/77/644843577.db2.gz ZWLAAUDIYCDONZ-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP CCN1CC[C@H]([N@H+](C)CC[S@](C)=O)C[C@@H]1C ZINC000827971066 645089663 /nfs/dbraw/zinc/08/96/63/645089663.db2.gz QKVOZEOHSVPBDV-MKBNYLNASA-N 2 1 246.420 1.170 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)CC[S@](C)=O)C[C@@H]1C ZINC000827971066 645089667 /nfs/dbraw/zinc/08/96/67/645089667.db2.gz QKVOZEOHSVPBDV-MKBNYLNASA-N 2 1 246.420 1.170 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926557286 645280591 /nfs/dbraw/zinc/28/05/91/645280591.db2.gz ANTSTSLBOMLZFN-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP FCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388571 645288656 /nfs/dbraw/zinc/28/86/56/645288656.db2.gz RZJYODKVCHNQSH-QWRGUYRKSA-N 2 1 200.301 1.277 20 0 BDADMP c1ccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000843388773 645289859 /nfs/dbraw/zinc/28/98/59/645289859.db2.gz FJRJJQUHMWEWQK-QWHCGFSZSA-N 2 1 231.343 1.480 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000926645770 645331915 /nfs/dbraw/zinc/33/19/15/645331915.db2.gz RMZRVSMNGYIGKT-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C=CCC1 ZINC000926690147 645359975 /nfs/dbraw/zinc/35/99/75/645359975.db2.gz NDFDFMFDYIDFAT-DAAZQVBGSA-N 2 1 206.333 1.635 20 0 BDADMP C/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926771098 645417836 /nfs/dbraw/zinc/41/78/36/645417836.db2.gz YVTCGJGKYCVXCC-BEJLUXAGSA-N 2 1 238.375 1.794 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(F)c1 ZINC000926789818 645433307 /nfs/dbraw/zinc/43/33/07/645433307.db2.gz UZFMVLKVLBHZCW-ONXXMXGDSA-N 2 1 249.333 1.651 20 0 BDADMP CCCCOC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000852753554 645488906 /nfs/dbraw/zinc/48/89/06/645488906.db2.gz DSVNLJVYAYQRNX-UHFFFAOYSA-N 2 1 230.352 1.389 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000852753554 645488910 /nfs/dbraw/zinc/48/89/10/645488910.db2.gz DSVNLJVYAYQRNX-UHFFFAOYSA-N 2 1 230.352 1.389 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H]1C)C[NH+](C)C ZINC000926960538 645501321 /nfs/dbraw/zinc/50/13/21/645501321.db2.gz MMBCXCJAILWRPX-IJLUTSLNSA-N 2 1 214.353 1.341 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@H](C)C1 ZINC000927149973 645573024 /nfs/dbraw/zinc/57/30/24/645573024.db2.gz HIPINKUMHUPDSN-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000011891337 645652192 /nfs/dbraw/zinc/65/21/92/645652192.db2.gz ZEJNQGBUYVNVBS-SNVBAGLBSA-N 2 1 210.346 1.571 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1ccc(Cl)nc1 ZINC000133226027 645862938 /nfs/dbraw/zinc/86/29/38/645862938.db2.gz MGGLWLLEXXVYPW-UHFFFAOYSA-N 2 1 213.712 1.516 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)nc1 ZINC000133226027 645862943 /nfs/dbraw/zinc/86/29/43/645862943.db2.gz MGGLWLLEXXVYPW-UHFFFAOYSA-N 2 1 213.712 1.516 20 0 BDADMP C[NH+](C)CCCN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924538490 646056560 /nfs/dbraw/zinc/05/65/60/646056560.db2.gz BAECESZWQYRNFE-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924538490 646056567 /nfs/dbraw/zinc/05/65/67/646056567.db2.gz BAECESZWQYRNFE-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP c1cc(SCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000929313364 646074731 /nfs/dbraw/zinc/07/47/31/646074731.db2.gz WICAAWIWIYDPMU-RYUDHWBXSA-N 2 1 249.383 1.325 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1cccn1 ZINC000924621176 646079502 /nfs/dbraw/zinc/07/95/02/646079502.db2.gz UKJNROFDFZQXBH-PBWFPOADSA-N 2 1 248.374 1.203 20 0 BDADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1N[C@H]1C[NH+]2C[C@@H]1CCC2 ZINC000924682859 646091836 /nfs/dbraw/zinc/09/18/36/646091836.db2.gz XXTQTIRXPCXCSC-ZQDZILKHSA-N 2 1 249.402 1.297 20 0 BDADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1N[C@H]1C[NH+]2C[C@@H]1CCC2 ZINC000924682859 646091838 /nfs/dbraw/zinc/09/18/38/646091838.db2.gz XXTQTIRXPCXCSC-ZQDZILKHSA-N 2 1 249.402 1.297 20 0 BDADMP C1C[NH+]2CCCC[C@@H]2[C@H]1N[C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924682859 646091841 /nfs/dbraw/zinc/09/18/41/646091841.db2.gz XXTQTIRXPCXCSC-ZQDZILKHSA-N 2 1 249.402 1.297 20 0 BDADMP C1C[NH+]2CCCC[C@@H]2[C@H]1N[C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924682859 646091847 /nfs/dbraw/zinc/09/18/47/646091847.db2.gz XXTQTIRXPCXCSC-ZQDZILKHSA-N 2 1 249.402 1.297 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnnn1C ZINC000924711297 646094200 /nfs/dbraw/zinc/09/42/00/646094200.db2.gz ASNRVFJUERBYAE-SNVBAGLBSA-N 2 1 248.334 1.061 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1(Cl)CC1 ZINC000924757427 646101976 /nfs/dbraw/zinc/10/19/76/646101976.db2.gz OQWVTSCKOCWYDC-QWRGUYRKSA-N 2 1 246.782 1.193 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1COC[C@@H]1C ZINC000924950793 646138978 /nfs/dbraw/zinc/13/89/78/646138978.db2.gz KVJORVWTUWFSMR-NTZNESFSSA-N 2 1 237.347 1.452 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000924959678 646143504 /nfs/dbraw/zinc/14/35/04/646143504.db2.gz LEFPRQIJNGFDGM-MGPQQGTHSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(C2CC2)C1 ZINC000924964852 646143902 /nfs/dbraw/zinc/14/39/02/646143902.db2.gz RECBFHHNDKZQMA-SXBYAPGRSA-N 2 1 249.402 1.153 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[NH+](C2CC2)C1 ZINC000924964852 646143906 /nfs/dbraw/zinc/14/39/06/646143906.db2.gz RECBFHHNDKZQMA-SXBYAPGRSA-N 2 1 249.402 1.153 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[NH+](C2CC2)C1 ZINC000924964852 646143912 /nfs/dbraw/zinc/14/39/12/646143912.db2.gz RECBFHHNDKZQMA-SXBYAPGRSA-N 2 1 249.402 1.153 20 0 BDADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924964852 646143918 /nfs/dbraw/zinc/14/39/18/646143918.db2.gz RECBFHHNDKZQMA-SXBYAPGRSA-N 2 1 249.402 1.153 20 0 BDADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[N@H+](C2CC2)C1 ZINC000924964852 646143923 /nfs/dbraw/zinc/14/39/23/646143923.db2.gz RECBFHHNDKZQMA-SXBYAPGRSA-N 2 1 249.402 1.153 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1COC[C@@H]1C ZINC000925134161 646192240 /nfs/dbraw/zinc/19/22/40/646192240.db2.gz PLBUBYKACMJBIF-WCQYABFASA-N 2 1 237.347 1.596 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000929637265 646210422 /nfs/dbraw/zinc/21/04/22/646210422.db2.gz GCGHKOUDIQTZSG-OTTFEQOBSA-N 2 1 210.365 1.916 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOC2CC2)C1 ZINC000929637433 646217258 /nfs/dbraw/zinc/21/72/58/646217258.db2.gz IHTJTLYOAQPYHI-LLVKDONJSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@H+](CCOC1CC1)CC[C@@H]1CCCC[NH+]1C ZINC000929721733 646275355 /nfs/dbraw/zinc/27/53/55/646275355.db2.gz FDIWYOASKGBBFU-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CCOC1CC1)CC[C@@H]1CCCC[NH+]1C ZINC000929721733 646275360 /nfs/dbraw/zinc/27/53/60/646275360.db2.gz FDIWYOASKGBBFU-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CCOC1CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000929721733 646275363 /nfs/dbraw/zinc/27/53/63/646275363.db2.gz FDIWYOASKGBBFU-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CCOC1CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000929721733 646275367 /nfs/dbraw/zinc/27/53/67/646275367.db2.gz FDIWYOASKGBBFU-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925482783 646291154 /nfs/dbraw/zinc/29/11/54/646291154.db2.gz OALMVZZKHGJBIK-RWMBFGLXSA-N 2 1 240.391 1.658 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925481210 646294559 /nfs/dbraw/zinc/29/45/59/646294559.db2.gz IEHXIZUVYYZUQG-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP CCN1CCC([N@@H+](C)CCOC2CC2)CC1 ZINC000929777461 646306227 /nfs/dbraw/zinc/30/62/27/646306227.db2.gz BEPGZQMCNYHIKH-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCOC2CC2)CC1 ZINC000929777461 646306237 /nfs/dbraw/zinc/30/62/37/646306237.db2.gz BEPGZQMCNYHIKH-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[C@@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000929782945 646307201 /nfs/dbraw/zinc/30/72/01/646307201.db2.gz NIZGKKQYSUEZKD-MELADBBJSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@H]1C[C@@H](N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000929782945 646307205 /nfs/dbraw/zinc/30/72/05/646307205.db2.gz NIZGKKQYSUEZKD-MELADBBJSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@H]1C[C@@H](N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000929782945 646307207 /nfs/dbraw/zinc/30/72/07/646307207.db2.gz NIZGKKQYSUEZKD-MELADBBJSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+]1CCC(N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511552 646310777 /nfs/dbraw/zinc/31/07/77/646310777.db2.gz OYQGIPDXOOMKNM-AAEUAGOBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C[N@H+]1C1CC1 ZINC000925544277 646323868 /nfs/dbraw/zinc/32/38/68/646323868.db2.gz ZBDDQGOTZYMHOB-WVWOOGAGSA-N 2 1 249.402 1.471 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1(C)C ZINC000925543953 646324657 /nfs/dbraw/zinc/32/46/57/646324657.db2.gz XJZHKUSAKXWLSQ-GARJFASQSA-N 2 1 226.364 1.530 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925557813 646333693 /nfs/dbraw/zinc/33/36/93/646333693.db2.gz QPUDUVZXPWFQTE-UONOGXRCSA-N 2 1 249.402 1.345 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925562424 646335285 /nfs/dbraw/zinc/33/52/85/646335285.db2.gz WNDUGEUXFJOJHW-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925563232 646335715 /nfs/dbraw/zinc/33/57/15/646335715.db2.gz BHGURRQVCOASRR-JHJVBQTASA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925563232 646335720 /nfs/dbraw/zinc/33/57/20/646335720.db2.gz BHGURRQVCOASRR-JHJVBQTASA-N 2 1 239.407 1.576 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)cn1 ZINC000925575050 646342253 /nfs/dbraw/zinc/34/22/53/646342253.db2.gz TZPKEXOXOFMKRR-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925587497 646349631 /nfs/dbraw/zinc/34/96/31/646349631.db2.gz NYWKOQJJUPGSOY-NXEZZACHSA-N 2 1 214.378 1.612 20 0 BDADMP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000925614233 646362641 /nfs/dbraw/zinc/36/26/41/646362641.db2.gz HIOGDLUFKQEXDU-AAEUAGOBSA-N 2 1 246.358 1.141 20 0 BDADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925641720 646384248 /nfs/dbraw/zinc/38/42/48/646384248.db2.gz ACHCDSNEFOSQPC-HBNTYKKESA-N 2 1 224.348 1.020 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925675706 646404930 /nfs/dbraw/zinc/40/49/30/646404930.db2.gz OGQPLOSUCKGUFZ-RYUDHWBXSA-N 2 1 224.348 1.286 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925683988 646411759 /nfs/dbraw/zinc/41/17/59/646411759.db2.gz CKWVBSIOGNOAAC-JHJVBQTASA-N 2 1 238.375 1.818 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000925686699 646412865 /nfs/dbraw/zinc/41/28/65/646412865.db2.gz XRKQTUCGAPEUCV-STQMWFEESA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925712488 646437727 /nfs/dbraw/zinc/43/77/27/646437727.db2.gz HBLLKBCSHWTLRL-JSGCOSHPSA-N 2 1 245.370 1.887 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000925715524 646440435 /nfs/dbraw/zinc/44/04/35/646440435.db2.gz JFSOJWATUZWXEL-YPMHNXCESA-N 2 1 222.332 1.942 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925717988 646443257 /nfs/dbraw/zinc/44/32/57/646443257.db2.gz MJWTUHQAGCSKTN-KIJLLGNVSA-N 2 1 238.375 1.673 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)C12CCC2 ZINC000925723478 646447766 /nfs/dbraw/zinc/44/77/66/646447766.db2.gz WEQKELDYRGJWMK-GHMZBOCLSA-N 2 1 235.306 1.580 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)C12CCC2 ZINC000925723480 646448665 /nfs/dbraw/zinc/44/86/65/646448665.db2.gz WEQKELDYRGJWMK-QWRGUYRKSA-N 2 1 235.306 1.580 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000925725280 646450456 /nfs/dbraw/zinc/45/04/56/646450456.db2.gz ILOGYGMTNDZSTF-LIBFEPKXSA-N 2 1 236.359 1.140 20 0 BDADMP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000925731235 646455354 /nfs/dbraw/zinc/45/53/54/646455354.db2.gz ZLAWEUZHOQCNOO-DGCLKSJQSA-N 2 1 237.391 1.249 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925738657 646461142 /nfs/dbraw/zinc/46/11/42/646461142.db2.gz RVBNCUXWRGNJBW-JTQLQIEISA-N 2 1 224.352 1.681 20 0 BDADMP CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1nccn1C ZINC000925742732 646463546 /nfs/dbraw/zinc/46/35/46/646463546.db2.gz XKPFHKPFURGFQJ-JTQLQIEISA-N 2 1 224.352 1.588 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925756739 646464794 /nfs/dbraw/zinc/46/47/94/646464794.db2.gz YIUDRPANBAHXMV-WDEREUQCSA-N 2 1 249.358 1.589 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000925760402 646466511 /nfs/dbraw/zinc/46/65/11/646466511.db2.gz MJWDEHFEZYHINM-QWHCGFSZSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H](NCc1cc(N)cc[nH+]1)[C@@H]1CCCO1 ZINC000925767430 646467800 /nfs/dbraw/zinc/46/78/00/646467800.db2.gz OQFUITJVXROFLZ-SKDRFNHKSA-N 2 1 221.304 1.321 20 0 BDADMP CC[C@@H](CO)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930171118 646473017 /nfs/dbraw/zinc/47/30/17/646473017.db2.gz LFWAAIKTVKBYLX-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+](CCOC1CC1)CC2 ZINC000930170688 646473222 /nfs/dbraw/zinc/47/32/22/646473222.db2.gz DMHJCIXRWXJQNX-UHFFFAOYSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CCOC1CC1)CC2 ZINC000930170688 646473225 /nfs/dbraw/zinc/47/32/25/646473225.db2.gz DMHJCIXRWXJQNX-UHFFFAOYSA-N 2 1 238.375 1.726 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000925774200 646473918 /nfs/dbraw/zinc/47/39/18/646473918.db2.gz SJPSNUCYFZKURM-RKDXNWHRSA-N 2 1 223.320 1.767 20 0 BDADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925782207 646479429 /nfs/dbraw/zinc/47/94/29/646479429.db2.gz INJYJJQXIASWSY-PZWNZHSQSA-N 2 1 226.364 1.243 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925787018 646482910 /nfs/dbraw/zinc/48/29/10/646482910.db2.gz RUYRLKSDFLDBPY-NQBHXWOUSA-N 2 1 222.332 1.798 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000925792116 646485372 /nfs/dbraw/zinc/48/53/72/646485372.db2.gz SZKIRBAVYZGXSH-MROQNXINSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000925792116 646485373 /nfs/dbraw/zinc/48/53/73/646485373.db2.gz SZKIRBAVYZGXSH-MROQNXINSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925795801 646486393 /nfs/dbraw/zinc/48/63/93/646486393.db2.gz QICPRYLDGITOED-UPJWGTAASA-N 2 1 237.391 1.106 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798216 646487578 /nfs/dbraw/zinc/48/75/78/646487578.db2.gz VMRYVOLXDFFOHK-AAEUAGOBSA-N 2 1 238.375 1.533 20 0 BDADMP Cc1cc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)nn1C ZINC000925835609 646503607 /nfs/dbraw/zinc/50/36/07/646503607.db2.gz URZSLYGNAZJXCI-DGCLKSJQSA-N 2 1 236.363 1.001 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000925854299 646511269 /nfs/dbraw/zinc/51/12/69/646511269.db2.gz DJGCUUVPLODQAJ-GRYCIOLGSA-N 2 1 214.353 1.125 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925857952 646510761 /nfs/dbraw/zinc/51/07/61/646510761.db2.gz NWJXHTPWRIHIPN-QWHCGFSZSA-N 2 1 240.391 1.802 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000925857541 646511410 /nfs/dbraw/zinc/51/14/10/646511410.db2.gz MLVATSKNOVMICF-YNEHKIRRSA-N 2 1 228.380 1.658 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925857953 646511440 /nfs/dbraw/zinc/51/14/40/646511440.db2.gz NWJXHTPWRIHIPN-STQMWFEESA-N 2 1 240.391 1.802 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000925880380 646529685 /nfs/dbraw/zinc/52/96/85/646529685.db2.gz QMECPFJTIZDKEL-AXFHLTTASA-N 3 1 234.347 1.272 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925891137 646533637 /nfs/dbraw/zinc/53/36/37/646533637.db2.gz SPDOZHSVVKJUND-GXSJLCMTSA-N 2 1 237.347 1.633 20 0 BDADMP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925892449 646534466 /nfs/dbraw/zinc/53/44/66/646534466.db2.gz BJJLZKSGGQCIJF-AGIUHOORSA-N 2 1 238.375 1.818 20 0 BDADMP CC[C@H]1CO[C@H](C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000891475240 711532457 /nfs/dbraw/zinc/53/24/57/711532457.db2.gz DVJUCDYPCUWVDH-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccn(C)n1 ZINC000558690703 646633029 /nfs/dbraw/zinc/63/30/29/646633029.db2.gz CBVBCZJAUCBUPJ-UHFFFAOYSA-N 2 1 233.319 1.105 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926425099 646635549 /nfs/dbraw/zinc/63/55/49/646635549.db2.gz WOBITHQSWXNWSG-MELADBBJSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926425099 646635550 /nfs/dbraw/zinc/63/55/50/646635550.db2.gz WOBITHQSWXNWSG-MELADBBJSA-N 2 1 239.407 1.543 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000723712207 711535266 /nfs/dbraw/zinc/53/52/66/711535266.db2.gz OASZNFGKRUCLLH-SNVBAGLBSA-N 2 1 239.750 1.906 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccnc2Cl)C1 ZINC000723712121 711535676 /nfs/dbraw/zinc/53/56/76/711535676.db2.gz MZDQRWNCLZQZNC-SNVBAGLBSA-N 2 1 239.750 1.906 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1CC[NH3+] ZINC000723895370 711543680 /nfs/dbraw/zinc/54/36/80/711543680.db2.gz VTTKKBTULCLIKL-JHJVBQTASA-N 2 1 240.391 1.718 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)oc1C ZINC000723909920 711545044 /nfs/dbraw/zinc/54/50/44/711545044.db2.gz VPKACVWLTXXYEB-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000396589260 711702094 /nfs/dbraw/zinc/70/20/94/711702094.db2.gz BOQVJNIRQSGRSS-GHMZBOCLSA-N 2 1 228.380 1.514 20 0 BDADMP COC[C@H](C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C(C)C ZINC000721768960 711768722 /nfs/dbraw/zinc/76/87/22/711768722.db2.gz NPOHSLXEKLIXDU-IHRRRGAJSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C(C)C ZINC000721768960 711768723 /nfs/dbraw/zinc/76/87/23/711768723.db2.gz NPOHSLXEKLIXDU-IHRRRGAJSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@@]1(C)COCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000707325254 711935148 /nfs/dbraw/zinc/93/51/48/711935148.db2.gz DVHREHSQOWQELL-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700383386 711991398 /nfs/dbraw/zinc/99/13/98/711991398.db2.gz IXRPVFBVGBJIOQ-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000701719437 712027930 /nfs/dbraw/zinc/02/79/30/712027930.db2.gz VCOZWMUKKQKOAE-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COC1CC(C[N@H+]2CCC[C@@H](CC[NH3+])C2)C1 ZINC000703866539 712092028 /nfs/dbraw/zinc/09/20/28/712092028.db2.gz INUOLFHLWQDZTH-HIFPTAJRSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708079472 712181370 /nfs/dbraw/zinc/18/13/70/712181370.db2.gz FNTZBVDBVXLVLR-IJLUTSLNSA-N 2 1 226.364 1.328 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC(C)(C)CO1 ZINC000708337146 712188648 /nfs/dbraw/zinc/18/86/48/712188648.db2.gz LCLGCHIZAADXTN-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H]2CN)C1 ZINC000708340416 712189079 /nfs/dbraw/zinc/18/90/79/712189079.db2.gz ZPXUTWFAFRUTOW-WDEREUQCSA-N 2 1 212.337 1.225 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CCC[C@H]2CN)C1 ZINC000708340416 712189080 /nfs/dbraw/zinc/18/90/80/712189080.db2.gz ZPXUTWFAFRUTOW-WDEREUQCSA-N 2 1 212.337 1.225 20 0 BDADMP FCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000710260531 712249708 /nfs/dbraw/zinc/24/97/08/712249708.db2.gz HRSCTLDXZXYROF-GFCCVEGCSA-N 2 1 214.328 1.668 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)C1 ZINC000710326351 712252092 /nfs/dbraw/zinc/25/20/92/712252092.db2.gz VYJRAGPINRDKJR-IGQOVBAYSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])on1 ZINC000710730563 712255697 /nfs/dbraw/zinc/25/56/97/712255697.db2.gz UZCPDDWVQYOUPY-UHFFFAOYSA-N 2 1 225.336 1.934 20 0 BDADMP FC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000711446215 712300779 /nfs/dbraw/zinc/30/07/79/712300779.db2.gz WCXUGARCEQDYKP-NEPJUHHUSA-N 2 1 214.328 1.668 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOC1CC1 ZINC000711755116 712324841 /nfs/dbraw/zinc/32/48/41/712324841.db2.gz WRJNVZSAJSNBHQ-LLVKDONJSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712687661 712440223 /nfs/dbraw/zinc/44/02/23/712440223.db2.gz VLLCDOMFNRAAIR-RTXFEEFZSA-N 2 1 208.349 1.703 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712706639 712448675 /nfs/dbraw/zinc/44/86/75/712448675.db2.gz YHMDTRJKBHPPHI-YUTCNCBUSA-N 2 1 222.376 1.964 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC(C)(C)O1)C1CC([NH3+])C1 ZINC000714322072 712482419 /nfs/dbraw/zinc/48/24/19/712482419.db2.gz ZPYFTYGEVRJFEU-MCIGGMRASA-N 2 1 226.364 1.756 20 0 BDADMP C[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@H](C[NH3+])C1CC1 ZINC000715499743 712523870 /nfs/dbraw/zinc/52/38/70/712523870.db2.gz HOEGLEUVXIZTBW-MJBXVCDLSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@H](C[NH3+])C1CC1 ZINC000715499743 712523872 /nfs/dbraw/zinc/52/38/72/712523872.db2.gz HOEGLEUVXIZTBW-MJBXVCDLSA-N 2 1 238.375 1.613 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717647071 712663084 /nfs/dbraw/zinc/66/30/84/712663084.db2.gz BOWAAIKNICMSHS-QWRGUYRKSA-N 2 1 228.380 1.765 20 0 BDADMP CC[C@@H]([NH2+]CC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713011 712744918 /nfs/dbraw/zinc/74/49/18/712744918.db2.gz ZYQHHKFSVWNGQZ-GFCCVEGCSA-N 2 1 220.316 1.621 20 0 BDADMP C[N@@H+](CCCC(C)(F)F)CCOCC[NH3+] ZINC000718631965 712773929 /nfs/dbraw/zinc/77/39/29/712773929.db2.gz HFSCVSCMWRECOZ-UHFFFAOYSA-N 2 1 224.295 1.329 20 0 BDADMP C[C@H]1[C@H](Nc2cc[nH+]cc2Cl)CC[N@@H+]1C ZINC000719570483 712811086 /nfs/dbraw/zinc/81/10/86/712811086.db2.gz OMWBHBSCMFWKBX-WCBMZHEXSA-N 2 1 225.723 1.661 20 0 BDADMP C[C@H]1[C@H](Nc2cc[nH+]cc2Cl)CC[N@H+]1C ZINC000719570483 712811087 /nfs/dbraw/zinc/81/10/87/712811087.db2.gz OMWBHBSCMFWKBX-WCBMZHEXSA-N 2 1 225.723 1.661 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1C ZINC000719627770 712814861 /nfs/dbraw/zinc/81/48/61/712814861.db2.gz WQSIHZQAWRNFCZ-FDYHWXHSSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000719627770 712814863 /nfs/dbraw/zinc/81/48/63/712814863.db2.gz WQSIHZQAWRNFCZ-FDYHWXHSSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000719627770 712814864 /nfs/dbraw/zinc/81/48/64/712814864.db2.gz WQSIHZQAWRNFCZ-FDYHWXHSSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000719755233 712822629 /nfs/dbraw/zinc/82/26/29/712822629.db2.gz KADCGFQSDDLWKU-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](CCc1ccns1)C1CCC([NH3+])CC1 ZINC000719845195 712825509 /nfs/dbraw/zinc/82/55/09/712825509.db2.gz IDBPCMCIMNLSNQ-UHFFFAOYSA-N 2 1 239.388 1.887 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000721909309 710688638 /nfs/dbraw/zinc/68/86/38/710688638.db2.gz RDSLMQGQDJRYDA-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP CCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC000723909298 710733783 /nfs/dbraw/zinc/73/37/83/710733783.db2.gz PEBMXFCPSJNXJO-NXEZZACHSA-N 2 1 238.335 1.049 20 0 BDADMP CCc1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC000723909298 710733785 /nfs/dbraw/zinc/73/37/85/710733785.db2.gz PEBMXFCPSJNXJO-NXEZZACHSA-N 2 1 238.335 1.049 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396577113 710907486 /nfs/dbraw/zinc/90/74/86/710907486.db2.gz CZEJCHWSRXMVQJ-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP CC1(C)C[N@H+](CCC[NH2+]C2CC2)CCS1 ZINC000133359876 710970783 /nfs/dbraw/zinc/97/07/83/710970783.db2.gz VUETYDOQSLZUEL-UHFFFAOYSA-N 2 1 228.405 1.956 20 0 BDADMP CC1(C)C[N@@H+](CCC[NH2+]C2CC2)CCS1 ZINC000133359876 710970786 /nfs/dbraw/zinc/97/07/86/710970786.db2.gz VUETYDOQSLZUEL-UHFFFAOYSA-N 2 1 228.405 1.956 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384000601 710987388 /nfs/dbraw/zinc/98/73/88/710987388.db2.gz KVGYYNXJEFRDNU-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384000601 710987392 /nfs/dbraw/zinc/98/73/92/710987392.db2.gz KVGYYNXJEFRDNU-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)C1(C)CC1 ZINC000385455274 711013456 /nfs/dbraw/zinc/01/34/56/711013456.db2.gz CUVDCKYCLGTSAC-UTUOFQBUSA-N 2 1 210.365 1.962 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000389552607 711079452 /nfs/dbraw/zinc/07/94/52/711079452.db2.gz PNYNUFLOWKQUNB-GXYBRJDSSA-N 2 1 249.402 1.057 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)CCCCCC[NH3+] ZINC000389665982 711084833 /nfs/dbraw/zinc/08/48/33/711084833.db2.gz NWHPSQUIJOQMDW-LBPRGKRZSA-N 2 1 216.369 1.720 20 0 BDADMP O=c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc[nH]1 ZINC000392753300 711152645 /nfs/dbraw/zinc/15/26/45/711152645.db2.gz KSNBMYFPTIFMRG-CHWSQXEVSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc[nH]1 ZINC000392753300 711152646 /nfs/dbraw/zinc/15/26/46/711152646.db2.gz KSNBMYFPTIFMRG-CHWSQXEVSA-N 2 1 247.342 1.504 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000395342084 711208808 /nfs/dbraw/zinc/20/88/08/711208808.db2.gz YOKCYTOXNYDYQO-ZDUSSCGKSA-N 2 1 236.363 1.171 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000396540756 711353803 /nfs/dbraw/zinc/35/38/03/711353803.db2.gz AMCIXYHXKUAQAP-CMPLNLGQSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000396575751 711356072 /nfs/dbraw/zinc/35/60/72/711356072.db2.gz CHMWCGVLROLXHD-NWDGAFQWSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000396581870 711357157 /nfs/dbraw/zinc/35/71/57/711357157.db2.gz FSBUZHJHWUDBOL-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP CSC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396639635 711357611 /nfs/dbraw/zinc/35/76/11/711357611.db2.gz IKHSXEFJMRQDRI-VHSXEESVSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+][C@@H]2C)O1 ZINC000398094835 711400911 /nfs/dbraw/zinc/40/09/11/711400911.db2.gz POYAYHBTXNPRAF-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000398595531 711413341 /nfs/dbraw/zinc/41/33/41/711413341.db2.gz BTHYXWXNUIWWHG-NNYUYHANSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]1COCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000399164750 711423419 /nfs/dbraw/zinc/42/34/19/711423419.db2.gz MUBWFZHBWSUHBE-ZDUSSCGKSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@H]1COCC[N@@H+](CCCCCC[NH3+])C1 ZINC000399266951 711425528 /nfs/dbraw/zinc/42/55/28/711425528.db2.gz OIKMOBQPPNOAAZ-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP ClC1(Cl)C[C@@H]1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000399248728 711426217 /nfs/dbraw/zinc/42/62/17/711426217.db2.gz JEJDCLKZFFJRTJ-BBBLOLIVSA-N 2 1 249.185 1.722 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(F)F ZINC000396647643 711363276 /nfs/dbraw/zinc/36/32/76/711363276.db2.gz COQXIOGRCWSKQK-DTWKUNHWSA-N 2 1 206.280 1.762 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccnc1 ZINC000396648034 711363252 /nfs/dbraw/zinc/36/32/52/711363252.db2.gz KPMLIKHLYUCFKI-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000396686231 711364118 /nfs/dbraw/zinc/36/41/18/711364118.db2.gz YHCAMVUJHRIQTE-JWURUJNWSA-N 2 1 237.391 1.342 20 0 BDADMP CCOCCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396714432 711365262 /nfs/dbraw/zinc/36/52/62/711365262.db2.gz QUAFSEYVTCJVFJ-NEPJUHHUSA-N 2 1 214.353 1.533 20 0 BDADMP CCOCCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396714433 711365498 /nfs/dbraw/zinc/36/54/98/711365498.db2.gz QUAFSEYVTCJVFJ-NWDGAFQWSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000396708653 711367080 /nfs/dbraw/zinc/36/70/80/711367080.db2.gz OKBOFTFNFROMII-JQWIXIFHSA-N 2 1 208.349 1.907 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396699809 711367200 /nfs/dbraw/zinc/36/72/00/711367200.db2.gz MYMYYPMQVQESRX-SDDRHHMPSA-N 2 1 214.353 1.124 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396728458 711368428 /nfs/dbraw/zinc/36/84/28/711368428.db2.gz ZUPMLMXRHINCJJ-GHMZBOCLSA-N 2 1 214.353 1.268 20 0 BDADMP Cc1cn(C)nc1C[N@@H+](C)CCCCCC[NH3+] ZINC000723500277 711513516 /nfs/dbraw/zinc/51/35/16/711513516.db2.gz URXKTADGNOPHOI-UHFFFAOYSA-N 2 1 238.379 1.679 20 0 BDADMP CC1(C)CC(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000723550921 711516260 /nfs/dbraw/zinc/51/62/60/711516260.db2.gz DTDVZNZKYZTULM-GXTWGEPZSA-N 2 1 222.376 1.964 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000723627743 711527602 /nfs/dbraw/zinc/52/76/02/711527602.db2.gz UASRZZQJTUYGSJ-LDYMZIIASA-N 2 1 223.320 1.461 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000723713565 711535435 /nfs/dbraw/zinc/53/54/35/711535435.db2.gz STWHVPADFXCSHJ-KBPBESRZSA-N 2 1 240.391 1.598 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000723711735 711535582 /nfs/dbraw/zinc/53/55/82/711535582.db2.gz HTBCWPAITQNQGA-SNVBAGLBSA-N 2 1 239.750 1.906 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000723877635 711542420 /nfs/dbraw/zinc/54/24/20/711542420.db2.gz XFQXPGWXACRGEK-QWHCGFSZSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CC[NH3+] ZINC000723894182 711543955 /nfs/dbraw/zinc/54/39/55/711543955.db2.gz JCCAGAWGMPKXHL-NXEZZACHSA-N 2 1 209.293 1.091 20 0 BDADMP CCC(F)(F)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901509 711544975 /nfs/dbraw/zinc/54/49/75/711544975.db2.gz QBHJITVDIBJYGX-NXEZZACHSA-N 2 1 220.307 1.948 20 0 BDADMP CCn1ccnc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723909586 711545095 /nfs/dbraw/zinc/54/50/95/711545095.db2.gz QQUIZJWISZUMIL-VXGBXAGGSA-N 2 1 236.363 1.320 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910587 711545151 /nfs/dbraw/zinc/54/51/51/711545151.db2.gz VOUXYRYFKOXTIN-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382658269 711546528 /nfs/dbraw/zinc/54/65/28/711546528.db2.gz NYKOYDRVJMWANN-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382658269 711546530 /nfs/dbraw/zinc/54/65/30/711546530.db2.gz NYKOYDRVJMWANN-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC([NH2+][C@H](CCO)C2CCCC2)CC1 ZINC000725086173 711650297 /nfs/dbraw/zinc/65/02/97/711650297.db2.gz QHLFWTSYNCAWPJ-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP [NH3+]CCC[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000925700945 711710538 /nfs/dbraw/zinc/71/05/38/711710538.db2.gz XQFWMKTZCICUAX-HUUCEWRRSA-N 2 1 247.386 1.794 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccn1 ZINC000925711925 711711863 /nfs/dbraw/zinc/71/18/63/711711863.db2.gz GCBYXBPCYINKIT-YPMHNXCESA-N 2 1 233.359 1.915 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cn1 ZINC000931442071 711713993 /nfs/dbraw/zinc/71/39/93/711713993.db2.gz TWEJLSYYFUKSIA-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931442071 711713994 /nfs/dbraw/zinc/71/39/94/711713994.db2.gz TWEJLSYYFUKSIA-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931442071 711713995 /nfs/dbraw/zinc/71/39/95/711713995.db2.gz TWEJLSYYFUKSIA-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cn1cc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000334252636 711714657 /nfs/dbraw/zinc/71/46/57/711714657.db2.gz LJBNCZQDJPZMDY-CQSZACIVSA-N 2 1 248.374 1.038 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3cn[nH]c3)C2)C1 ZINC000334723210 711718642 /nfs/dbraw/zinc/71/86/42/711718642.db2.gz SIZDOQZLAAKEAA-CQSZACIVSA-N 2 1 248.374 1.370 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3cn[nH]c3)C2)C1 ZINC000334723210 711718643 /nfs/dbraw/zinc/71/86/43/711718643.db2.gz SIZDOQZLAAKEAA-CQSZACIVSA-N 2 1 248.374 1.370 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3cn[nH]c3)C2)C1 ZINC000334723210 711718644 /nfs/dbraw/zinc/71/86/44/711718644.db2.gz SIZDOQZLAAKEAA-CQSZACIVSA-N 2 1 248.374 1.370 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000925759815 711735862 /nfs/dbraw/zinc/73/58/62/711735862.db2.gz HUWLRUDPOAWWRZ-QWHCGFSZSA-N 3 1 239.407 1.707 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721797588 711770008 /nfs/dbraw/zinc/77/00/08/711770008.db2.gz GVVCQBNBCMUTTN-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721797588 711770009 /nfs/dbraw/zinc/77/00/09/711770009.db2.gz GVVCQBNBCMUTTN-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721797588 711770011 /nfs/dbraw/zinc/77/00/11/711770011.db2.gz GVVCQBNBCMUTTN-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](COC)C(C)C)CC[C@H]1[NH3+] ZINC000721913813 711918222 /nfs/dbraw/zinc/91/82/22/711918222.db2.gz QDNNNIHELPZHOJ-MGPQQGTHSA-N 2 1 242.407 1.964 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000721928815 711937752 /nfs/dbraw/zinc/93/77/52/711937752.db2.gz VQDLSSMZUJPJGR-WUHRBBMRSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000700256373 711988770 /nfs/dbraw/zinc/98/87/70/711988770.db2.gz GVASDLGAKDOHGE-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCO[C@H](CCF)C1 ZINC000700557683 711997095 /nfs/dbraw/zinc/99/70/95/711997095.db2.gz WVKDAZFRSXMZCA-CYBMUJFWSA-N 2 1 246.370 1.956 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000700631787 712003782 /nfs/dbraw/zinc/00/37/82/712003782.db2.gz SQPOXNMOTOAIPE-NSHDSACASA-N 2 1 224.373 1.961 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(N)c3)C[C@]2(C)C1 ZINC000702319214 712044291 /nfs/dbraw/zinc/04/42/91/712044291.db2.gz QUZOMMKFJBOTIR-HIFRSBDPSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(N)c3)C[C@]2(C)C1 ZINC000702319214 712044292 /nfs/dbraw/zinc/04/42/92/712044292.db2.gz QUZOMMKFJBOTIR-HIFRSBDPSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(N)c3)C[C@]2(C)C1 ZINC000702319214 712044294 /nfs/dbraw/zinc/04/42/94/712044294.db2.gz QUZOMMKFJBOTIR-HIFRSBDPSA-N 2 1 245.370 1.652 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000702520668 712054272 /nfs/dbraw/zinc/05/42/72/712054272.db2.gz NWWFLSXQSOMYDY-WDEREUQCSA-N 2 1 214.328 1.999 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2(C)CCCC2)C1 ZINC000702598112 712056523 /nfs/dbraw/zinc/05/65/23/712056523.db2.gz BCJFREFDIVSOLZ-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2(C)CCCC2)C1 ZINC000702598112 712056524 /nfs/dbraw/zinc/05/65/24/712056524.db2.gz BCJFREFDIVSOLZ-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCc1cccs1)C2 ZINC000703538535 712078651 /nfs/dbraw/zinc/07/86/51/712078651.db2.gz OKXOWRZDYZZVSA-WCQYABFASA-N 2 1 236.384 1.832 20 0 BDADMP COc1cccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000703580517 712080018 /nfs/dbraw/zinc/08/00/18/712080018.db2.gz AJYSGPSWKXTWDB-BETUJISGSA-N 2 1 234.343 1.864 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncccc2Cl)C1 ZINC000703936980 712095287 /nfs/dbraw/zinc/09/52/87/712095287.db2.gz VFHPJUUZLQEQOW-JTQLQIEISA-N 2 1 239.750 1.906 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000704774340 712116541 /nfs/dbraw/zinc/11/65/41/712116541.db2.gz WFAZRVRGIDSNBM-SDDRHHMPSA-N 2 1 228.405 1.860 20 0 BDADMP C(C[C@H]1CCSC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000704840334 712119136 /nfs/dbraw/zinc/11/91/36/712119136.db2.gz XDQIOEUHOXKRPT-VHSXEESVSA-N 2 1 200.351 1.081 20 0 BDADMP CN(CCC[NH2+]C1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000705135904 712122400 /nfs/dbraw/zinc/12/24/00/712122400.db2.gz ZWYUCKBWNHHGAQ-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CSC1CC([NH2+]CCn2cc[nH+]c2C)C1 ZINC000706744230 712153983 /nfs/dbraw/zinc/15/39/83/712153983.db2.gz HPFGHEJGSONSIP-UHFFFAOYSA-N 2 1 225.361 1.675 20 0 BDADMP C[N@H+](C[C@@H]1CC(C)(C)CO1)[C@H](C[NH3+])C1CC1 ZINC000708325450 712187322 /nfs/dbraw/zinc/18/73/22/712187322.db2.gz WZWGUKDVQXIKMY-NWDGAFQWSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)[C@H](C[NH3+])C1CC1 ZINC000708325450 712187325 /nfs/dbraw/zinc/18/73/25/712187325.db2.gz WZWGUKDVQXIKMY-NWDGAFQWSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)C1CC([NH3+])C1 ZINC000708324127 712187473 /nfs/dbraw/zinc/18/74/73/712187473.db2.gz RQPCXYCEYAKGHI-ILDUYXDCSA-N 2 1 212.337 1.223 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000708334270 712188256 /nfs/dbraw/zinc/18/82/56/712188256.db2.gz YONPXMBQMGMQHN-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000709695311 712216295 /nfs/dbraw/zinc/21/62/95/712216295.db2.gz DRPMNHPJKOARAT-WDEREUQCSA-N 2 1 228.380 1.859 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2CCO)CC1 ZINC000709409083 712221415 /nfs/dbraw/zinc/22/14/15/712221415.db2.gz ZNTZBVCBVFTPJQ-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CCOCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709777342 712226131 /nfs/dbraw/zinc/22/61/31/712226131.db2.gz GKVABLRCVZSDIL-ZDUSSCGKSA-N 2 1 226.364 1.489 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)O1 ZINC000709789040 712226689 /nfs/dbraw/zinc/22/66/89/712226689.db2.gz GAZYNNXUQWRZSC-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000709864925 712229754 /nfs/dbraw/zinc/22/97/54/712229754.db2.gz VOHMIJPUXUENHU-RFQIPJPRSA-N 2 1 238.375 1.757 20 0 BDADMP c1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)sn1 ZINC000709867815 712230001 /nfs/dbraw/zinc/23/00/01/712230001.db2.gz FHHVGXIJVIOPPM-WXDOIIRRSA-N 2 1 249.383 1.272 20 0 BDADMP c1csc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000710362982 712252896 /nfs/dbraw/zinc/25/28/96/712252896.db2.gz YPSPHOSESLFLFC-WDEREUQCSA-N 2 1 237.372 1.542 20 0 BDADMP CCOC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710704685 712254932 /nfs/dbraw/zinc/25/49/32/712254932.db2.gz CTPMSSFLBWVIQA-LLVKDONJSA-N 2 1 230.352 1.389 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC(=O)NC(C)(C)C ZINC000710761934 712256720 /nfs/dbraw/zinc/25/67/20/712256720.db2.gz YMVZIBWYAUPCKX-UHFFFAOYSA-N 2 1 243.395 1.352 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CF)C1 ZINC000711450112 712301290 /nfs/dbraw/zinc/30/12/90/712301290.db2.gz JHDJBKCOICVKPZ-QWHCGFSZSA-N 2 1 246.370 1.369 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711450112 712301292 /nfs/dbraw/zinc/30/12/92/712301292.db2.gz JHDJBKCOICVKPZ-QWHCGFSZSA-N 2 1 246.370 1.369 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711450112 712301300 /nfs/dbraw/zinc/30/13/00/712301300.db2.gz JHDJBKCOICVKPZ-QWHCGFSZSA-N 2 1 246.370 1.369 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711465545 712302487 /nfs/dbraw/zinc/30/24/87/712302487.db2.gz BNGFEFBHZGEXEE-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]C1 ZINC000711562781 712310297 /nfs/dbraw/zinc/31/02/97/712310297.db2.gz UOAUMMCZEVAEOQ-TUAOUCFPSA-N 2 1 226.389 1.281 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOC1CC1 ZINC000711732673 712320776 /nfs/dbraw/zinc/32/07/76/712320776.db2.gz RSGYUVQSNQDHTR-JQWIXIFHSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOC1CC1 ZINC000711732673 712320780 /nfs/dbraw/zinc/32/07/80/712320780.db2.gz RSGYUVQSNQDHTR-JQWIXIFHSA-N 2 1 212.337 1.367 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923480284 712334343 /nfs/dbraw/zinc/33/43/43/712334343.db2.gz WLGRRKUBOILWBH-GJZGRUSLSA-N 2 1 248.370 1.261 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000923480295 712334542 /nfs/dbraw/zinc/33/45/42/712334542.db2.gz WPSMGCRHCKTCOV-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCCCCC1)C1CC1 ZINC000379746824 712397242 /nfs/dbraw/zinc/39/72/42/712397242.db2.gz WXAYIWKKZIRXGY-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCCCCC1)C1CC1 ZINC000379746824 712397244 /nfs/dbraw/zinc/39/72/44/712397244.db2.gz WXAYIWKKZIRXGY-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438278 712429658 /nfs/dbraw/zinc/42/96/58/712429658.db2.gz OASJFDLRVUFNBC-AVGNSLFASA-N 2 1 238.375 1.757 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)CC1 ZINC000712610860 712437587 /nfs/dbraw/zinc/43/75/87/712437587.db2.gz SQDQDAAMQSMBQV-CYBMUJFWSA-N 2 1 241.423 1.776 20 0 BDADMP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)CCC1(C)C ZINC000712688094 712440490 /nfs/dbraw/zinc/44/04/90/712440490.db2.gz HWTAYDBLNSLLNK-UHFFFAOYSA-N 2 1 241.423 1.791 20 0 BDADMP C=C/C=C\CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000713759799 712471795 /nfs/dbraw/zinc/47/17/95/712471795.db2.gz TZBKZDHTVLDSJB-MVZIDQBPSA-N 2 1 210.321 1.168 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000714603319 712488281 /nfs/dbraw/zinc/48/82/81/712488281.db2.gz FUZMYDKCPGOVGM-LNWFEFDYSA-N 2 1 238.375 1.626 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000714444343 712489579 /nfs/dbraw/zinc/48/95/79/712489579.db2.gz UEOMFPSNMQZPPT-LSPKCERGSA-N 2 1 238.375 1.626 20 0 BDADMP C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000715492785 712523539 /nfs/dbraw/zinc/52/35/39/712523539.db2.gz AJNBDOILBMXFHR-CRWXNKLISA-N 2 1 236.359 1.095 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511589 712524681 /nfs/dbraw/zinc/52/46/81/712524681.db2.gz SLRJWRRBVSBLLX-OLZOCXBDSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H]2CCCS2)CC1 ZINC000715779104 712532509 /nfs/dbraw/zinc/53/25/09/712532509.db2.gz BDVWAROWWUQFMS-GFCCVEGCSA-N 2 1 228.405 1.956 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717818590 712681518 /nfs/dbraw/zinc/68/15/18/712681518.db2.gz ARXQIRKMTBBNNP-CYBMUJFWSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH+]1CCC(NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037649342 712733660 /nfs/dbraw/zinc/73/36/60/712733660.db2.gz NLZDIUPJHJJLMS-GFCCVEGCSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000037649342 712733661 /nfs/dbraw/zinc/73/36/61/712733661.db2.gz NLZDIUPJHJJLMS-GFCCVEGCSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037649342 712733662 /nfs/dbraw/zinc/73/36/62/712733662.db2.gz NLZDIUPJHJJLMS-GFCCVEGCSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@]1(C(F)F)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000718010857 712736128 /nfs/dbraw/zinc/73/61/28/712736128.db2.gz KJJWEAVHZSLHQA-SCVCMEIPSA-N 2 1 248.317 1.470 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000719571677 712811230 /nfs/dbraw/zinc/81/12/30/712811230.db2.gz SOUKRGNLCHKUAB-CMPLNLGQSA-N 2 1 205.305 1.316 20 0 BDADMP C[C@H]1[C@@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1C ZINC000719620757 712817450 /nfs/dbraw/zinc/81/74/50/712817450.db2.gz WYPRPAIJSMSWNY-FZMZJTMJSA-N 2 1 237.391 1.295 20 0 BDADMP CCc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)cc[nH+]1 ZINC000719772589 712824222 /nfs/dbraw/zinc/82/42/22/712824222.db2.gz BGGUYBUNYGGJHR-GWCFXTLKSA-N 2 1 219.332 1.570 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000720380730 712836932 /nfs/dbraw/zinc/83/69/32/712836932.db2.gz SXXZVCHUPMHKOS-NSHDSACASA-N 2 1 223.320 1.544 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)nn1 ZINC000720567336 712851887 /nfs/dbraw/zinc/85/18/87/712851887.db2.gz OSFCAJZPSDARHF-YPMHNXCESA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)nn1 ZINC000720567336 712851888 /nfs/dbraw/zinc/85/18/88/712851888.db2.gz OSFCAJZPSDARHF-YPMHNXCESA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720583309 712854569 /nfs/dbraw/zinc/85/45/69/712854569.db2.gz PPBIGFFEVKVWGS-YGRLFVJLSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720583309 712854571 /nfs/dbraw/zinc/85/45/71/712854571.db2.gz PPBIGFFEVKVWGS-YGRLFVJLSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)nn1 ZINC000720588964 712855283 /nfs/dbraw/zinc/85/52/83/712855283.db2.gz ZNNPMEQZFUZUQD-ZDUSSCGKSA-N 2 1 248.374 1.654 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(C)nn1 ZINC000720588182 712855584 /nfs/dbraw/zinc/85/55/84/712855584.db2.gz SDFHMRXGPJNTMK-AWEZNQCLSA-N 2 1 248.374 1.797 20 0 BDADMP C[NH2+]CCN(CCCn1cc[nH+]c1C)C(C)C ZINC000720792137 712865685 /nfs/dbraw/zinc/86/56/85/712865685.db2.gz TVABUGFCSPRTMS-UHFFFAOYSA-N 2 1 238.379 1.511 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720870096 712871887 /nfs/dbraw/zinc/87/18/87/712871887.db2.gz KSIDIFVOUSNYPN-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720870096 712871888 /nfs/dbraw/zinc/87/18/88/712871888.db2.gz KSIDIFVOUSNYPN-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP CCCO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606171 957092659 /nfs/dbraw/zinc/09/26/59/957092659.db2.gz DHWJTZYDZJJNHZ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCCO[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208606171 957092665 /nfs/dbraw/zinc/09/26/65/957092665.db2.gz DHWJTZYDZJJNHZ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCCO[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208606171 957092680 /nfs/dbraw/zinc/09/26/80/957092680.db2.gz DHWJTZYDZJJNHZ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC000705398916 957199369 /nfs/dbraw/zinc/19/93/69/957199369.db2.gz HTDBGYGSGUGOQW-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC000705398916 957199377 /nfs/dbraw/zinc/19/93/77/957199377.db2.gz HTDBGYGSGUGOQW-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC000705398916 957199386 /nfs/dbraw/zinc/19/93/86/957199386.db2.gz HTDBGYGSGUGOQW-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC000705398916 957199404 /nfs/dbraw/zinc/19/94/04/957199404.db2.gz HTDBGYGSGUGOQW-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)C[NH2+]1 ZINC000398962407 958459213 /nfs/dbraw/zinc/45/92/13/958459213.db2.gz NXDZCYAVUYTQQW-BJDJZHNGSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)C[NH2+]1 ZINC000399084982 958507662 /nfs/dbraw/zinc/50/76/62/958507662.db2.gz UCLOWASFDOYSHJ-AAEUAGOBSA-N 2 1 226.364 1.533 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000724151674 958742994 /nfs/dbraw/zinc/74/29/94/958742994.db2.gz ITGZJIIIITWSOD-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC3(CCCC3)C2)C1 ZINC000693566220 958857629 /nfs/dbraw/zinc/85/76/29/958857629.db2.gz COTGVPKDAOLQPG-TXEJJXNPSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000708503753 959522975 /nfs/dbraw/zinc/52/29/75/959522975.db2.gz KUWVNMXKWFIVFK-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1[nH]c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(C)[nH+]1 ZINC000724788417 959526809 /nfs/dbraw/zinc/52/68/09/959526809.db2.gz HZLFRWBGLFGBLV-RKDXNWHRSA-N 2 1 222.336 1.209 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1=CCCOC1 ZINC000696934475 963583053 /nfs/dbraw/zinc/58/30/53/963583053.db2.gz OGSGHNCGFXMQSQ-YPMHNXCESA-N 2 1 224.348 1.120 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H](F)[C@@H](F)C2)CC1 ZINC001168314417 964422746 /nfs/dbraw/zinc/42/27/46/964422746.db2.gz KWFZSYATFDXMGY-CAODYFQJSA-N 2 1 232.318 1.851 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2C[C@@H](F)[C@@H](F)C2)CC1 ZINC001168314417 964422755 /nfs/dbraw/zinc/42/27/55/964422755.db2.gz KWFZSYATFDXMGY-CAODYFQJSA-N 2 1 232.318 1.851 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327883 964460629 /nfs/dbraw/zinc/46/06/29/964460629.db2.gz RULUJDMJRRJSKO-BLYZHGLHSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)n1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cn1 ZINC000697926895 964734874 /nfs/dbraw/zinc/73/48/74/964734874.db2.gz JRVQBTMIQCEPHP-LBPRGKRZSA-N 2 1 238.379 1.894 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C(F)F)CC[N@@H+]1C ZINC000698556032 965329253 /nfs/dbraw/zinc/32/92/53/965329253.db2.gz IAISDJUMRVYRJQ-FXPVBKGRSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C(F)F)CC[N@H+]1C ZINC000698556032 965329267 /nfs/dbraw/zinc/32/92/67/965329267.db2.gz IAISDJUMRVYRJQ-FXPVBKGRSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CCC=CO2)C[C@H]1C[NH3+] ZINC001205131411 965938765 /nfs/dbraw/zinc/93/87/65/965938765.db2.gz YCHHAZVVZVKROW-QJPTWQEYSA-N 2 1 210.321 1.206 20 0 BDADMP C/C(=C\C=C\N)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001165278359 966025219 /nfs/dbraw/zinc/02/52/19/966025219.db2.gz FLIBQILTPHJHMV-MBEZIBHESA-N 2 1 223.364 1.684 20 0 BDADMP CCN(CCCn1cc[nH+]c1C)[C@@H]1CC[NH2+]C1 ZINC000699610316 966006330 /nfs/dbraw/zinc/00/63/30/966006330.db2.gz JMOCMMPKUFEGMT-CYBMUJFWSA-N 2 1 236.363 1.265 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2C[C@H]3CCC[C@@H]3C2)O1 ZINC001204847719 967196000 /nfs/dbraw/zinc/19/60/00/967196000.db2.gz FAELFHHATKINRC-UTUOFQBUSA-N 2 1 224.348 1.443 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001204848688 967200776 /nfs/dbraw/zinc/20/07/76/967200776.db2.gz RHTSCUBFZSWSIG-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938497 967244809 /nfs/dbraw/zinc/24/48/09/967244809.db2.gz MJFVJSXDTYDIMB-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@@]1([NH3+])CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938497 967244822 /nfs/dbraw/zinc/24/48/22/967244822.db2.gz MJFVJSXDTYDIMB-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP Cc1ncncc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123449 967373006 /nfs/dbraw/zinc/37/30/06/967373006.db2.gz AZXOJSLQOQQRID-LBPRGKRZSA-N 2 1 220.320 1.098 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123449 967373014 /nfs/dbraw/zinc/37/30/14/967373014.db2.gz AZXOJSLQOQQRID-LBPRGKRZSA-N 2 1 220.320 1.098 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205263626 967457214 /nfs/dbraw/zinc/45/72/14/967457214.db2.gz AVKWQSKYTVAMLF-LBPRGKRZSA-N 2 1 222.336 1.123 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546354 967692012 /nfs/dbraw/zinc/69/20/12/967692012.db2.gz UIAYSBPAYVKRKL-LBPRGKRZSA-N 2 1 246.326 1.093 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC001205538821 967678981 /nfs/dbraw/zinc/67/89/81/967678981.db2.gz PTTXDKRDKDZWKD-STQMWFEESA-N 2 1 244.354 1.566 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cncs2)CC[C@@H]1C[NH3+] ZINC001205617953 967724761 /nfs/dbraw/zinc/72/47/61/967724761.db2.gz PWGXISUHVBILCN-WDEREUQCSA-N 2 1 239.388 1.950 20 0 BDADMP CC1(C)NC[C@@H](C[N@H+]2CCC[C@H](F)CC2)O1 ZINC001205922803 967875697 /nfs/dbraw/zinc/87/56/97/967875697.db2.gz AUBRPVFVRFFRFG-QWRGUYRKSA-N 2 1 230.327 1.535 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H](F)CC2)O1 ZINC001205922803 967875709 /nfs/dbraw/zinc/87/57/09/967875709.db2.gz AUBRPVFVRFFRFG-QWRGUYRKSA-N 2 1 230.327 1.535 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H](F)CC2)O1 ZINC001205922803 967875717 /nfs/dbraw/zinc/87/57/17/967875717.db2.gz AUBRPVFVRFFRFG-QWRGUYRKSA-N 2 1 230.327 1.535 20 0 BDADMP CS[C@H](C)CC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205057979 967858420 /nfs/dbraw/zinc/85/84/20/967858420.db2.gz BLXUNBKAPSEMFI-AXFHLTTASA-N 2 1 216.394 1.940 20 0 BDADMP CS[C@H](C)CC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205057979 967858426 /nfs/dbraw/zinc/85/84/26/967858426.db2.gz BLXUNBKAPSEMFI-AXFHLTTASA-N 2 1 216.394 1.940 20 0 BDADMP CCCC[C@@H](CC)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205939007 967892471 /nfs/dbraw/zinc/89/24/71/967892471.db2.gz MVWNVWSJOJVTLO-JHJVBQTASA-N 2 1 228.380 1.597 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)s1 ZINC001206519513 968350442 /nfs/dbraw/zinc/35/04/42/968350442.db2.gz MLEZFMUUISWGHU-RYUDHWBXSA-N 2 1 240.372 1.116 20 0 BDADMP CCCC[C@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001252097644 968576455 /nfs/dbraw/zinc/57/64/55/968576455.db2.gz QTYBMPOUZMWYNT-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CCCC[C@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001252097644 968576469 /nfs/dbraw/zinc/57/64/69/968576469.db2.gz QTYBMPOUZMWYNT-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CCCC[C@@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001252119593 968607197 /nfs/dbraw/zinc/60/71/97/968607197.db2.gz BDNPFGNAMGEGNT-LLVKDONJSA-N 2 1 225.336 1.483 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@@H](O)C1 ZINC001207275022 968706178 /nfs/dbraw/zinc/70/61/78/968706178.db2.gz INJVVAQHHDXZEQ-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+]1CCN(CC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC001207284154 968716232 /nfs/dbraw/zinc/71/62/32/968716232.db2.gz KPQROIOMGJTLNB-CYBMUJFWSA-N 2 1 241.423 1.600 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)[C@@H]1CCCOC1 ZINC001207283657 968718263 /nfs/dbraw/zinc/71/82/63/968718263.db2.gz BTJCMINIQNCMSS-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CC1(C)CCOCC1 ZINC001207965194 968964032 /nfs/dbraw/zinc/96/40/32/968964032.db2.gz UJKXQLMCAMCVLD-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP COC[C@H]1CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208115287 969009367 /nfs/dbraw/zinc/00/93/67/969009367.db2.gz JIFGJFKHDUIEEG-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001208592226 969149240 /nfs/dbraw/zinc/14/92/40/969149240.db2.gz FFSUEQFGTFSUGV-STQMWFEESA-N 2 1 244.354 1.123 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCc1ccco1 ZINC001253404460 969159500 /nfs/dbraw/zinc/15/95/00/969159500.db2.gz WOCNMFVYFVDAQV-NSHDSACASA-N 2 1 240.347 1.161 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H](O)C2)C1 ZINC001208607654 969162907 /nfs/dbraw/zinc/16/29/07/969162907.db2.gz MLWXGMJSNYTBFU-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H](O)C2)C1 ZINC001208607654 969162908 /nfs/dbraw/zinc/16/29/08/969162908.db2.gz MLWXGMJSNYTBFU-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)CC[C@@H]1O ZINC001208609153 969163706 /nfs/dbraw/zinc/16/37/06/969163706.db2.gz YPAQAQFEDLWGQK-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1O ZINC001208609153 969163710 /nfs/dbraw/zinc/16/37/10/969163710.db2.gz YPAQAQFEDLWGQK-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC[C@@H]1O ZINC001208609153 969163715 /nfs/dbraw/zinc/16/37/15/969163715.db2.gz YPAQAQFEDLWGQK-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1COCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607908 969164449 /nfs/dbraw/zinc/16/44/49/969164449.db2.gz NUXNRRMEFDHZDV-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]1COCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607908 969164463 /nfs/dbraw/zinc/16/44/63/969164463.db2.gz NUXNRRMEFDHZDV-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]1COCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607908 969164469 /nfs/dbraw/zinc/16/44/69/969164469.db2.gz NUXNRRMEFDHZDV-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC3CC(C3)C2)C1 ZINC001208616726 969171508 /nfs/dbraw/zinc/17/15/08/969171508.db2.gz LIWPDZQKQZYSQB-HIFPTAJRSA-N 2 1 208.349 1.670 20 0 BDADMP CO[C@H]1CCC[C@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000723470239 969319550 /nfs/dbraw/zinc/31/95/50/969319550.db2.gz RNBWMODQHZIIDR-NOOOWODRSA-N 2 1 212.337 1.223 20 0 BDADMP CCN(CC[NH+](C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125332 969426399 /nfs/dbraw/zinc/42/63/99/969426399.db2.gz ZHUYRKJWZBKJFD-BTTYYORXSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCOCC1)C2 ZINC001169126980 969430588 /nfs/dbraw/zinc/43/05/88/969430588.db2.gz YVAXNFYEALLHRH-ITGUQSILSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCOCC1)C2 ZINC001169126980 969430594 /nfs/dbraw/zinc/43/05/94/969430594.db2.gz YVAXNFYEALLHRH-ITGUQSILSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCOCC1)C2 ZINC001169126980 969430601 /nfs/dbraw/zinc/43/06/01/969430601.db2.gz YVAXNFYEALLHRH-ITGUQSILSA-N 2 1 224.348 1.334 20 0 BDADMP CC[N@H+](CCOC)C1CC[NH+](CC)CC1 ZINC001169244238 969527541 /nfs/dbraw/zinc/52/75/41/969527541.db2.gz JERVZCSAPQFJGH-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP CC[N@@H+](CCOC)C1CC[NH+](CC)CC1 ZINC001169244238 969527545 /nfs/dbraw/zinc/52/75/45/969527545.db2.gz JERVZCSAPQFJGH-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H]2CO)CC1 ZINC001169244907 969527706 /nfs/dbraw/zinc/52/77/06/969527706.db2.gz YMAWNUWNCHBYII-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H]2CO)CC1 ZINC001169244907 969527712 /nfs/dbraw/zinc/52/77/12/969527712.db2.gz YMAWNUWNCHBYII-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC(N2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC001169250120 969539159 /nfs/dbraw/zinc/53/91/59/969539159.db2.gz OBOSPWFQRPHGLX-QWHCGFSZSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254500154 969657525 /nfs/dbraw/zinc/65/75/25/969657525.db2.gz GMNSGMMMPOZIMN-KBPBESRZSA-N 3 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@H](N[C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254500154 969657539 /nfs/dbraw/zinc/65/75/39/969657539.db2.gz GMNSGMMMPOZIMN-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@H](N[C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254500154 969657553 /nfs/dbraw/zinc/65/75/53/969657553.db2.gz GMNSGMMMPOZIMN-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508624 969678519 /nfs/dbraw/zinc/67/85/19/969678519.db2.gz KPLYMHLQZRLPHN-XQQFMLRXSA-N 2 1 225.380 1.330 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508624 969678527 /nfs/dbraw/zinc/67/85/27/969678527.db2.gz KPLYMHLQZRLPHN-XQQFMLRXSA-N 3 1 225.380 1.330 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254508624 969678539 /nfs/dbraw/zinc/67/85/39/969678539.db2.gz KPLYMHLQZRLPHN-XQQFMLRXSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]([NH3+])c1ccn([C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001254506010 969676656 /nfs/dbraw/zinc/67/66/56/969676656.db2.gz NLRCCNDLGTWHEM-GHMZBOCLSA-N 2 1 222.336 1.560 20 0 BDADMP C[N@@H+]1CCC[C@@H](NC2C[NH+](C(C)(C)C)C2)CC1 ZINC001254511692 969684526 /nfs/dbraw/zinc/68/45/26/969684526.db2.gz CRQLNRMDMSXQHT-GFCCVEGCSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@H+]1CCC[C@@H](NC2C[NH+](C(C)(C)C)C2)CC1 ZINC001254511692 969684527 /nfs/dbraw/zinc/68/45/27/969684527.db2.gz CRQLNRMDMSXQHT-GFCCVEGCSA-N 2 1 239.407 1.543 20 0 BDADMP CO[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515766 969690116 /nfs/dbraw/zinc/69/01/16/969690116.db2.gz CMVSBJUPGULHHZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254515766 969690120 /nfs/dbraw/zinc/69/01/20/969690120.db2.gz CMVSBJUPGULHHZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515766 969690123 /nfs/dbraw/zinc/69/01/23/969690123.db2.gz CMVSBJUPGULHHZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@]2(C)CCCOC2)CC1 ZINC001254514534 969690182 /nfs/dbraw/zinc/69/01/82/969690182.db2.gz MCBIJFVSBLLFCD-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001254517713 969699247 /nfs/dbraw/zinc/69/92/47/969699247.db2.gz YEVYYQGGGXSINN-RWMBFGLXSA-N 2 1 224.348 1.334 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001254517713 969699248 /nfs/dbraw/zinc/69/92/48/969699248.db2.gz YEVYYQGGGXSINN-RWMBFGLXSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001254517713 969699251 /nfs/dbraw/zinc/69/92/51/969699251.db2.gz YEVYYQGGGXSINN-RWMBFGLXSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001254517713 969699254 /nfs/dbraw/zinc/69/92/54/969699254.db2.gz YEVYYQGGGXSINN-RWMBFGLXSA-N 2 1 224.348 1.334 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCC[C@H]1O ZINC001254517656 969699752 /nfs/dbraw/zinc/69/97/52/969699752.db2.gz XPYVHZUVQIRDGM-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCC[C@H]1O ZINC001254517656 969699759 /nfs/dbraw/zinc/69/97/59/969699759.db2.gz XPYVHZUVQIRDGM-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCC[C@H]1O ZINC001254517656 969699769 /nfs/dbraw/zinc/69/97/69/969699769.db2.gz XPYVHZUVQIRDGM-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254524449 969708421 /nfs/dbraw/zinc/70/84/21/969708421.db2.gz BWWMZTLGFJGAIU-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523953 969711823 /nfs/dbraw/zinc/71/18/23/969711823.db2.gz SLSBYFMDAVICSL-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254523953 969711824 /nfs/dbraw/zinc/71/18/24/969711824.db2.gz SLSBYFMDAVICSL-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CN(C)C[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254523953 969711832 /nfs/dbraw/zinc/71/18/32/969711832.db2.gz SLSBYFMDAVICSL-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CN(C)C[C@@H]1CCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254523953 969711836 /nfs/dbraw/zinc/71/18/36/969711836.db2.gz SLSBYFMDAVICSL-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CN(C)C[C@@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523953 969711842 /nfs/dbraw/zinc/71/18/42/969711842.db2.gz SLSBYFMDAVICSL-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH2+]CCN([C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC001255494232 970254248 /nfs/dbraw/zinc/25/42/48/970254248.db2.gz FHNPRIMTQGLCDS-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP CC[N@H+]1CCN([C@H]2CCC[NH+](C)C2)C(C)(C)C1 ZINC001255494017 970254745 /nfs/dbraw/zinc/25/47/45/970254745.db2.gz JEBGKIPAOICABP-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)C(C)(C)C1 ZINC001255494017 970254755 /nfs/dbraw/zinc/25/47/55/970254755.db2.gz JEBGKIPAOICABP-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)C(C)(C)C1 ZINC001255494017 970254765 /nfs/dbraw/zinc/25/47/65/970254765.db2.gz JEBGKIPAOICABP-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2CCC[NH+](C)C2)C1 ZINC001255493454 970253634 /nfs/dbraw/zinc/25/36/34/970253634.db2.gz YCUWBORMFFELLE-KGLIPLIRSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2CCC[N@H+](C)C2)C1 ZINC001255493454 970253655 /nfs/dbraw/zinc/25/36/55/970253655.db2.gz YCUWBORMFFELLE-KGLIPLIRSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2CCC[N@@H+](C)C2)C1 ZINC001255493454 970253665 /nfs/dbraw/zinc/25/36/65/970253665.db2.gz YCUWBORMFFELLE-KGLIPLIRSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)n1c[nH+]cc1CC[NH3+] ZINC001255941820 970572317 /nfs/dbraw/zinc/57/23/17/970572317.db2.gz XOEJEUXSPMKUAF-GFCCVEGCSA-N 3 1 238.379 1.677 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CC(COC)C1 ZINC001255954844 970589821 /nfs/dbraw/zinc/58/98/21/970589821.db2.gz JFEFTXYJHMKSMM-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](CO)C1 ZINC001255954784 970589849 /nfs/dbraw/zinc/58/98/49/970589849.db2.gz HZIWPJQBRBHNGM-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)NCC[NH+]1CCC1 ZINC001255951558 970590395 /nfs/dbraw/zinc/59/03/95/970590395.db2.gz QLYZGWSKJPSTHA-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001255956264 970593849 /nfs/dbraw/zinc/59/38/49/970593849.db2.gz JIUCLUCACLNUSC-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001255956264 970593868 /nfs/dbraw/zinc/59/38/68/970593868.db2.gz JIUCLUCACLNUSC-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001255957082 970596671 /nfs/dbraw/zinc/59/66/71/970596671.db2.gz ORXOGGABIHNRAR-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](C)[C@H](C)C1 ZINC001255964097 970599553 /nfs/dbraw/zinc/59/95/53/970599553.db2.gz OLDWTVVYIYFXGP-ZIAGYGMSSA-N 2 1 241.423 1.743 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)[C@H]1CCOC1 ZINC001255964417 970604811 /nfs/dbraw/zinc/60/48/11/970604811.db2.gz SAZXTUJMYBUWLG-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000400630449 970613359 /nfs/dbraw/zinc/61/33/59/970613359.db2.gz RKGMKALYWOSQSK-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@@H](F)CC2)CC1 ZINC001256203305 970705828 /nfs/dbraw/zinc/70/58/28/970705828.db2.gz VDVRLWLEJKYICB-LLVKDONJSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001256203305 970705840 /nfs/dbraw/zinc/70/58/40/970705840.db2.gz VDVRLWLEJKYICB-LLVKDONJSA-N 2 1 214.328 1.905 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171494 975066970 /nfs/dbraw/zinc/06/69/70/975066970.db2.gz XMGKHLIQBKAUEV-VOAKCMCISA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173171494 975066977 /nfs/dbraw/zinc/06/69/77/975066977.db2.gz XMGKHLIQBKAUEV-VOAKCMCISA-N 2 1 226.364 1.484 20 0 BDADMP CCCc1cc(C[NH3+])nn1[C@H]1CC[N@@H+](CC)C1 ZINC001173361694 975334251 /nfs/dbraw/zinc/33/42/51/975334251.db2.gz VQWBYDZVSQYJFB-ZDUSSCGKSA-N 2 1 236.363 1.561 20 0 BDADMP CC[NH+]1CC[C@@H](N2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC001173364986 975342563 /nfs/dbraw/zinc/34/25/63/975342563.db2.gz WEFDWJFGKIMQBV-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP CC[NH+]1CC[C@@H](N2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC001173364986 975342570 /nfs/dbraw/zinc/34/25/70/975342570.db2.gz WEFDWJFGKIMQBV-YNEHKIRRSA-N 2 1 225.380 1.105 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC001173622928 975484148 /nfs/dbraw/zinc/48/41/48/975484148.db2.gz OKCVICXDSLXMJF-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)C1 ZINC001173622928 975484164 /nfs/dbraw/zinc/48/41/64/975484164.db2.gz OKCVICXDSLXMJF-WOPDTQHZSA-N 2 1 240.347 1.141 20 0 BDADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc[nH+]cc1 ZINC001337707997 978466696 /nfs/dbraw/zinc/46/66/96/978466696.db2.gz AYPGUYJXNXEVBD-LBPRGKRZSA-N 2 1 219.332 1.860 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001206337319 978602172 /nfs/dbraw/zinc/60/21/72/978602172.db2.gz SYGFTWYRBFFCPC-OLZOCXBDSA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001206337319 978602177 /nfs/dbraw/zinc/60/21/77/978602177.db2.gz SYGFTWYRBFFCPC-OLZOCXBDSA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001235811235 979155124 /nfs/dbraw/zinc/15/51/24/979155124.db2.gz TVBFATITAZRWFH-VIFPVBQESA-N 2 1 204.264 1.456 20 0 BDADMP C([C@H]1CCCO1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314134 979522974 /nfs/dbraw/zinc/52/29/74/979522974.db2.gz HCMHFYLQWNQATK-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1cnc(C2=CC[N@@H+](C)CC2)c(C[NH3+])c1 ZINC001241311681 982456977 /nfs/dbraw/zinc/45/69/77/982456977.db2.gz ZKIYOTGJFKHVNZ-UHFFFAOYSA-N 2 1 217.316 1.568 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001205804282 982562639 /nfs/dbraw/zinc/56/26/39/982562639.db2.gz MLZBHJANFDWGIA-QWHCGFSZSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])N(CC2(C)CC[NH2+]CC2)C1 ZINC001205804282 982562647 /nfs/dbraw/zinc/56/26/47/982562647.db2.gz MLZBHJANFDWGIA-QWHCGFSZSA-N 2 1 239.407 1.435 20 0 BDADMP CCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001252108196 983665500 /nfs/dbraw/zinc/66/55/00/983665500.db2.gz MPPXNWIMUIFBFT-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC2CCCCC2)C[C@H]1O ZINC001205947013 983669807 /nfs/dbraw/zinc/66/98/07/983669807.db2.gz VEGSSBRBCGNGLR-CHWSQXEVSA-N 2 1 226.364 1.351 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172427131 974703667 /nfs/dbraw/zinc/70/36/67/974703667.db2.gz MRHIIFWNGHGHEA-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172434879 974736297 /nfs/dbraw/zinc/73/62/97/974736297.db2.gz VNQYHKFSWQERJZ-QWRGUYRKSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172434879 974736303 /nfs/dbraw/zinc/73/63/03/974736303.db2.gz VNQYHKFSWQERJZ-QWRGUYRKSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172442081 974802896 /nfs/dbraw/zinc/80/28/96/974802896.db2.gz RHIJNENBSCWHAU-NWDGAFQWSA-N 2 1 216.369 1.717 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2cccnc2F)CC1 ZINC001222537398 972555855 /nfs/dbraw/zinc/55/58/55/972555855.db2.gz ALFVIXRARYXQBF-UHFFFAOYSA-N 2 1 241.285 1.484 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586940 972977556 /nfs/dbraw/zinc/97/75/56/972977556.db2.gz UUGQLNHHLVIMFV-AGIUHOORSA-N 2 1 226.364 1.373 20 0 BDADMP CCCC[C@@H](CC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246641562 973062331 /nfs/dbraw/zinc/06/23/31/973062331.db2.gz JBAFKBNWPNZEED-ZIAGYGMSSA-N 2 1 239.407 1.593 20 0 BDADMP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC001328682422 973263902 /nfs/dbraw/zinc/26/39/02/973263902.db2.gz TZAWMYLTBRZDJZ-ZJUUUORDSA-N 2 1 236.315 1.299 20 0 BDADMP CCCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615106 970879280 /nfs/dbraw/zinc/87/92/80/970879280.db2.gz WISAZADYZWVBHD-FUDCBSFHSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623350 970886803 /nfs/dbraw/zinc/88/68/03/970886803.db2.gz OJJOTOKQUWINKI-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623350 970886809 /nfs/dbraw/zinc/88/68/09/970886809.db2.gz OJJOTOKQUWINKI-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256623350 970886815 /nfs/dbraw/zinc/88/68/15/970886815.db2.gz OJJOTOKQUWINKI-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256623350 970886821 /nfs/dbraw/zinc/88/68/21/970886821.db2.gz OJJOTOKQUWINKI-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP CO[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621026 970887641 /nfs/dbraw/zinc/88/76/41/970887641.db2.gz IPKBERFUHPEWEF-PIGZVRMJSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256621026 970887647 /nfs/dbraw/zinc/88/76/47/970887647.db2.gz IPKBERFUHPEWEF-PIGZVRMJSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256621026 970887651 /nfs/dbraw/zinc/88/76/51/970887651.db2.gz IPKBERFUHPEWEF-PIGZVRMJSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256622136 970888317 /nfs/dbraw/zinc/88/83/17/970888317.db2.gz FLQPZOHCYNRWTD-VJBQPNPTSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256622136 970888320 /nfs/dbraw/zinc/88/83/20/970888320.db2.gz FLQPZOHCYNRWTD-VJBQPNPTSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256622136 970888325 /nfs/dbraw/zinc/88/83/25/970888325.db2.gz FLQPZOHCYNRWTD-VJBQPNPTSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256622136 970888329 /nfs/dbraw/zinc/88/83/29/970888329.db2.gz FLQPZOHCYNRWTD-VJBQPNPTSA-N 2 1 238.375 1.457 20 0 BDADMP COCC[N@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256625173 970890200 /nfs/dbraw/zinc/89/02/00/970890200.db2.gz AGLZYTIJXOUNRC-PBWFPOADSA-N 2 1 240.391 1.968 20 0 BDADMP COCC[N@@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256625173 970890208 /nfs/dbraw/zinc/89/02/08/970890208.db2.gz AGLZYTIJXOUNRC-PBWFPOADSA-N 2 1 240.391 1.968 20 0 BDADMP COCC[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256625173 970890212 /nfs/dbraw/zinc/89/02/12/970890212.db2.gz AGLZYTIJXOUNRC-PBWFPOADSA-N 2 1 240.391 1.968 20 0 BDADMP COCC[NH+](C(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256625173 970890220 /nfs/dbraw/zinc/89/02/20/970890220.db2.gz AGLZYTIJXOUNRC-PBWFPOADSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@@H+](C)CCC[NH+](C)C ZINC001256732596 970958665 /nfs/dbraw/zinc/95/86/65/970958665.db2.gz FTFIRUUPVFDYDW-ZDUSSCGKSA-N 2 1 235.375 1.896 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503117 971004508 /nfs/dbraw/zinc/00/45/08/971004508.db2.gz COHBSQHVMRFINS-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccns2)C1 ZINC000404507414 971172401 /nfs/dbraw/zinc/17/24/01/971172401.db2.gz NITRISMGBREBCL-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccns2)C1 ZINC000404507414 971172407 /nfs/dbraw/zinc/17/24/07/971172407.db2.gz NITRISMGBREBCL-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP CCC(CC)[NH2+]CCC[N@@H+](C)CCO ZINC001257294208 971181373 /nfs/dbraw/zinc/18/13/73/971181373.db2.gz MKASAJIVEAGGKP-UHFFFAOYSA-N 2 1 202.342 1.079 20 0 BDADMP CCc1cccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001170566539 971199412 /nfs/dbraw/zinc/19/94/12/971199412.db2.gz AYLSOPNKKDTPLZ-CMPLNLGQSA-N 2 1 235.331 1.433 20 0 BDADMP CCc1cccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001170566542 971200738 /nfs/dbraw/zinc/20/07/38/971200738.db2.gz AYLSOPNKKDTPLZ-PWSUYJOCSA-N 2 1 235.331 1.433 20 0 BDADMP CC(C)[NH+]1CCC[C@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224816976 973992143 /nfs/dbraw/zinc/99/21/43/973992143.db2.gz DKXCOEHBODQMLG-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224816976 973992111 /nfs/dbraw/zinc/99/21/11/973992111.db2.gz DKXCOEHBODQMLG-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC[C@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224816976 973992125 /nfs/dbraw/zinc/99/21/25/973992125.db2.gz DKXCOEHBODQMLG-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n(C)n1 ZINC000405228072 971213786 /nfs/dbraw/zinc/21/37/86/971213786.db2.gz FAWDNZNLAJHIQH-NWDGAFQWSA-N 2 1 234.347 1.088 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cn[nH]c1 ZINC000405265755 971224503 /nfs/dbraw/zinc/22/45/03/971224503.db2.gz LQQYIOYLCUOJNX-LSJOCFKGSA-N 2 1 220.320 1.330 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cnn(C)c1 ZINC000405334121 971236096 /nfs/dbraw/zinc/23/60/96/971236096.db2.gz XZNZMJLUZBXIEL-ZMLRMANQSA-N 2 1 234.347 1.341 20 0 BDADMP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)sn1 ZINC000405384513 971245898 /nfs/dbraw/zinc/24/58/98/971245898.db2.gz KKCXWPQMOGEBDN-BDAKNGLRSA-N 2 1 241.360 1.367 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405437583 971255374 /nfs/dbraw/zinc/25/53/74/971255374.db2.gz UVYPLMFFJLMQBX-CHWSQXEVSA-N 3 1 235.375 1.108 20 0 BDADMP CCCCOC(=O)CC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001257391720 971297167 /nfs/dbraw/zinc/29/71/67/971297167.db2.gz QEYIFJMTHXJIFS-NSHDSACASA-N 2 1 242.363 1.579 20 0 BDADMP CCCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405848933 971314568 /nfs/dbraw/zinc/31/45/68/971314568.db2.gz IVJWHUUGUGXKDV-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP [NH3+]CCC[C@@H]([NH3+])c1nnc(C2CCC2)o1 ZINC001217696981 971335217 /nfs/dbraw/zinc/33/52/17/971335217.db2.gz UFZORZRAEWWAQX-MRVPVSSYSA-N 2 1 210.281 1.076 20 0 BDADMP CCc1nnc([C@@H]([NH3+])CC2CC[NH2+]CC2)o1 ZINC001217725460 971366635 /nfs/dbraw/zinc/36/66/35/971366635.db2.gz RABPAIXZLTTYMS-VIFPVBQESA-N 2 1 224.308 1.022 20 0 BDADMP CCCCC[C@@H](C)[N@H+](CCN)CCO ZINC001257500370 971417126 /nfs/dbraw/zinc/41/71/26/971417126.db2.gz PFKKSWVELUUBGR-LLVKDONJSA-N 2 1 202.342 1.208 20 0 BDADMP CCCCC[C@@H](C)[N@@H+](CCN)CCO ZINC001257500370 971417146 /nfs/dbraw/zinc/41/71/46/971417146.db2.gz PFKKSWVELUUBGR-LLVKDONJSA-N 2 1 202.342 1.208 20 0 BDADMP CCCCC[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001257500370 971417153 /nfs/dbraw/zinc/41/71/53/971417153.db2.gz PFKKSWVELUUBGR-LLVKDONJSA-N 2 1 202.342 1.208 20 0 BDADMP CCCCC[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001257500370 971417157 /nfs/dbraw/zinc/41/71/57/971417157.db2.gz PFKKSWVELUUBGR-LLVKDONJSA-N 2 1 202.342 1.208 20 0 BDADMP CCOC(=[NH2+])CCCCO[C@H]1CC[NH2+]C1 ZINC001217822211 971418456 /nfs/dbraw/zinc/41/84/56/971418456.db2.gz ICRVKUAWRFCENT-JTQLQIEISA-N 2 1 214.309 1.549 20 0 BDADMP FC1(F)C[NH2+]C[C@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217845283 971441842 /nfs/dbraw/zinc/44/18/42/971441842.db2.gz XFOVKWNKDRWDOP-GHMZBOCLSA-N 2 1 248.317 1.390 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CO[C@H]1CCC[NH2+]C1 ZINC001217859179 971450927 /nfs/dbraw/zinc/45/09/27/971450927.db2.gz FAEKVJQPGMFLMT-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217865237 971458969 /nfs/dbraw/zinc/45/89/69/971458969.db2.gz IZLZXTVQCCCKAB-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+]CC2OCCO2)CC1 ZINC001258003744 971555828 /nfs/dbraw/zinc/55/58/28/971555828.db2.gz SPJOUWNPSTYYAP-UHFFFAOYSA-N 2 1 242.363 1.069 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC(F)(F)F)CC[C@H]1F ZINC001206153963 974311482 /nfs/dbraw/zinc/31/14/82/974311482.db2.gz FSUKCPLJVDOGAV-HTQZYQBOSA-N 2 1 228.233 1.700 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC(F)(F)F)CC[C@H]1F ZINC001206153963 974311488 /nfs/dbraw/zinc/31/14/88/974311488.db2.gz FSUKCPLJVDOGAV-HTQZYQBOSA-N 2 1 228.233 1.700 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206155976 974337202 /nfs/dbraw/zinc/33/72/02/974337202.db2.gz NPMSTYKULGISGK-WDEREUQCSA-N 2 1 218.316 1.174 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206155976 974337217 /nfs/dbraw/zinc/33/72/17/974337217.db2.gz NPMSTYKULGISGK-WDEREUQCSA-N 2 1 218.316 1.174 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112280 974372739 /nfs/dbraw/zinc/37/27/39/974372739.db2.gz VMNIDFGFNDVIIS-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222527673 972541701 /nfs/dbraw/zinc/54/17/01/972541701.db2.gz OWIHLVYKXFKABL-UHFFFAOYSA-N 3 1 245.386 1.337 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCCOCC2)CC1 ZINC001170828197 971934901 /nfs/dbraw/zinc/93/49/01/971934901.db2.gz WHXNNBULDWZOQT-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCCOCC2)CC1 ZINC001170828197 971934909 /nfs/dbraw/zinc/93/49/09/971934909.db2.gz WHXNNBULDWZOQT-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000310538284 971975101 /nfs/dbraw/zinc/97/51/01/971975101.db2.gz PVZVCCARJVQSEL-CYBMUJFWSA-N 2 1 234.343 1.953 20 0 BDADMP CC(C)Nc1cc[nH+]c(NCC[C@@H](C)[NH3+])n1 ZINC001170887541 972035920 /nfs/dbraw/zinc/03/59/20/972035920.db2.gz XQKWFEMLHJNRHO-SECBINFHSA-N 2 1 223.324 1.446 20 0 BDADMP C[C@H]1C[N@@H+](C[C@](C)(O)c2ccccc2)C[C@H]1C[NH3+] ZINC001246016267 972115748 /nfs/dbraw/zinc/11/57/48/972115748.db2.gz JZCHYSTYLWGYGK-GUTXKFCHSA-N 2 1 248.370 1.421 20 0 BDADMP FC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246082169 972133836 /nfs/dbraw/zinc/13/38/36/972133836.db2.gz NQNACUWYXVFRRV-ILDUYXDCSA-N 2 1 200.301 1.609 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095381 972149351 /nfs/dbraw/zinc/14/93/51/972149351.db2.gz BLPFLHFPLATWEM-IZXDZPFWSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106680 972170120 /nfs/dbraw/zinc/17/01/20/972170120.db2.gz DXKKBSVZILMTNH-LSGALXMHSA-N 3 1 237.391 1.247 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+][C@H]2C)C1 ZINC001246108861 972174570 /nfs/dbraw/zinc/17/45/70/972174570.db2.gz IRIRGFBVGAHBQE-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)C1 ZINC001246108861 972174577 /nfs/dbraw/zinc/17/45/77/972174577.db2.gz IRIRGFBVGAHBQE-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246115637 972183548 /nfs/dbraw/zinc/18/35/48/972183548.db2.gz ZIQGQQONVORYIR-AVGNSLFASA-N 3 1 239.407 1.495 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246184559 972209969 /nfs/dbraw/zinc/20/99/69/972209969.db2.gz MYTJGRVEPOHZBI-DIZJUWAGSA-N 2 1 249.402 1.484 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246184559 972209975 /nfs/dbraw/zinc/20/99/75/972209975.db2.gz MYTJGRVEPOHZBI-DIZJUWAGSA-N 3 1 249.402 1.484 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246184559 972209980 /nfs/dbraw/zinc/20/99/80/972209980.db2.gz MYTJGRVEPOHZBI-DIZJUWAGSA-N 3 1 249.402 1.484 20 0 BDADMP CCCO[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208606164 957087092 /nfs/dbraw/zinc/08/70/92/957087092.db2.gz DHWJTZYDZJJNHZ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCCO[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606164 957087066 /nfs/dbraw/zinc/08/70/66/957087066.db2.gz DHWJTZYDZJJNHZ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCCO[C@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208606164 957087081 /nfs/dbraw/zinc/08/70/81/957087081.db2.gz DHWJTZYDZJJNHZ-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396704666 957184230 /nfs/dbraw/zinc/18/42/30/957184230.db2.gz OCXZKLILEUXFTG-NNYUYHANSA-N 2 1 212.337 1.284 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@H](C)CC[C@@H]1CN ZINC000705781092 957484280 /nfs/dbraw/zinc/48/42/80/957484280.db2.gz OTZUCEFKSPQODX-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP CCOC(C)(C)C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000705781092 957484291 /nfs/dbraw/zinc/48/42/91/957484291.db2.gz OTZUCEFKSPQODX-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP CCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246310626 972269958 /nfs/dbraw/zinc/26/99/58/972269958.db2.gz UNPLUEDEJRBTJE-FRRDWIJNSA-N 2 1 228.380 1.515 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001246320653 972278686 /nfs/dbraw/zinc/27/86/86/972278686.db2.gz ZXPXTNBCTAQPGI-BBBLOLIVSA-N 2 1 210.321 1.071 20 0 BDADMP C[N@@H+]1CC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001167275788 957621088 /nfs/dbraw/zinc/62/10/88/957621088.db2.gz ZLPZYTPGLJAXMD-QMMMGPOBSA-N 2 1 245.248 1.638 20 0 BDADMP C[N@H+]1CC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001167275788 957621092 /nfs/dbraw/zinc/62/10/92/957621092.db2.gz ZLPZYTPGLJAXMD-QMMMGPOBSA-N 2 1 245.248 1.638 20 0 BDADMP C[C@H]([NH3+])c1ccc(N[C@H]2CC[N@@H+](C)C2)cn1 ZINC001167284836 957643659 /nfs/dbraw/zinc/64/36/59/957643659.db2.gz UOVQGNLJWIANAH-ONGXEEELSA-N 2 1 220.320 1.217 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C[NH2+]1 ZINC000399005651 958483181 /nfs/dbraw/zinc/48/31/81/958483181.db2.gz XVGCFUMGXGSNCV-SCZZXKLOSA-N 2 1 218.291 1.762 20 0 BDADMP CCCOCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399034256 958492764 /nfs/dbraw/zinc/49/27/64/958492764.db2.gz NPQNGWZEMJWHKS-NWDGAFQWSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCC(C)(C)CO)C[NH2+]1 ZINC000399119688 958517704 /nfs/dbraw/zinc/51/77/04/958517704.db2.gz OIDZNQHKSRZCQO-VXGBXAGGSA-N 2 1 228.380 1.515 20 0 BDADMP CCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486150 972354448 /nfs/dbraw/zinc/35/44/48/972354448.db2.gz DEGOQWADXBZKJX-KGLIPLIRSA-N 2 1 241.423 1.886 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222079806 972362059 /nfs/dbraw/zinc/36/20/59/972362059.db2.gz GABRNQBAKVVXHC-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693587149 958892784 /nfs/dbraw/zinc/89/27/84/958892784.db2.gz YXNLOTQWIWNFQW-MXWKQRLJSA-N 2 1 214.378 1.551 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+](C2CCC3(COC3)CC2)C1 ZINC001246529794 972416897 /nfs/dbraw/zinc/41/68/97/972416897.db2.gz LVVUQMJQDFISLV-GFCCVEGCSA-N 2 1 224.348 1.369 20 0 BDADMP CCC1(C[N@H+]2CCC[C@]23CCC[NH2+]C3)COC1 ZINC001222231090 972417414 /nfs/dbraw/zinc/41/74/14/972417414.db2.gz IXKARJDJLAUTND-AWEZNQCLSA-N 2 1 238.375 1.631 20 0 BDADMP O=c1[nH]cccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237402 972417459 /nfs/dbraw/zinc/41/74/59/972417459.db2.gz ICSMXCPEVDPPCO-AWEZNQCLSA-N 2 1 247.342 1.505 20 0 BDADMP O=c1[nH]cccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237402 972417466 /nfs/dbraw/zinc/41/74/66/972417466.db2.gz ICSMXCPEVDPPCO-AWEZNQCLSA-N 2 1 247.342 1.505 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000300357151 959376994 /nfs/dbraw/zinc/37/69/94/959376994.db2.gz VKHAWIJOKKCWGO-KKOKHZNYSA-N 2 1 228.405 1.668 20 0 BDADMP CCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000405234838 959421818 /nfs/dbraw/zinc/42/18/18/959421818.db2.gz DBOMOSJGDYDUFM-RYUDHWBXSA-N 2 1 234.347 1.263 20 0 BDADMP COC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000308700668 959481227 /nfs/dbraw/zinc/48/12/27/959481227.db2.gz DROJZPLHJHWKEQ-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC1(F)F ZINC000708501091 959527806 /nfs/dbraw/zinc/52/78/06/959527806.db2.gz AWODCCGLOKSNFO-WDEREUQCSA-N 2 1 248.317 1.329 20 0 BDADMP C(C[NH+]1CC2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC001222335295 972436650 /nfs/dbraw/zinc/43/66/50/972436650.db2.gz DTVGHLKWNPZTOQ-UHFFFAOYSA-N 3 1 237.391 1.062 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346806 972440821 /nfs/dbraw/zinc/44/08/21/972440821.db2.gz SZETYPHNJAUDRX-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346806 972440827 /nfs/dbraw/zinc/44/08/27/972440827.db2.gz SZETYPHNJAUDRX-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@](C)([NH3+])C2)C1 ZINC001246532212 972449367 /nfs/dbraw/zinc/44/93/67/972449367.db2.gz WBFJKTQZNZWWEO-NQBHXWOUSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@@](C)([NH3+])C2)C1 ZINC001246532212 972449370 /nfs/dbraw/zinc/44/93/70/972449370.db2.gz WBFJKTQZNZWWEO-NQBHXWOUSA-N 2 1 240.347 1.141 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001207399084 959725826 /nfs/dbraw/zinc/72/58/26/959725826.db2.gz YVZMROFQCZSJFK-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCC[C@H]3C2)C[NH2+]1 ZINC000724815193 959742234 /nfs/dbraw/zinc/74/22/34/959742234.db2.gz WNZSGHXYZBNPSW-MROQNXINSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3OCC[C@H]3C2)C[NH2+]1 ZINC000724815193 959742244 /nfs/dbraw/zinc/74/22/44/959742244.db2.gz WNZSGHXYZBNPSW-MROQNXINSA-N 2 1 224.348 1.238 20 0 BDADMP C1C[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2O1 ZINC000724821842 959799030 /nfs/dbraw/zinc/79/90/30/959799030.db2.gz GNALKPHLMJNXBZ-MWWBDVBNSA-N 2 1 236.359 1.380 20 0 BDADMP C1C[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2O1 ZINC000724821842 959799038 /nfs/dbraw/zinc/79/90/38/959799038.db2.gz GNALKPHLMJNXBZ-MWWBDVBNSA-N 2 1 236.359 1.380 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCC[NH+](C)C1 ZINC000309300633 959837611 /nfs/dbraw/zinc/83/76/11/959837611.db2.gz YDIXHTPVJSWTBS-QWHCGFSZSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCC[NH+](C)C1 ZINC000309300633 959837617 /nfs/dbraw/zinc/83/76/17/959837617.db2.gz YDIXHTPVJSWTBS-QWHCGFSZSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CCC[N@H+](C)C1 ZINC000309300633 959837621 /nfs/dbraw/zinc/83/76/21/959837621.db2.gz YDIXHTPVJSWTBS-QWHCGFSZSA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CCC[N@@H+](C)C1 ZINC000309300633 959837625 /nfs/dbraw/zinc/83/76/25/959837625.db2.gz YDIXHTPVJSWTBS-QWHCGFSZSA-N 2 1 227.396 1.399 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC000309332342 959849080 /nfs/dbraw/zinc/84/90/80/959849080.db2.gz JDOBOKKEZNNKTQ-CYBMUJFWSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ncccc23)C[C@H]1C[NH3+] ZINC000708899768 960089103 /nfs/dbraw/zinc/08/91/03/960089103.db2.gz GLHUZSQNYLMQIJ-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])CC1CCC2(CC2)CC1 ZINC000695583010 960293336 /nfs/dbraw/zinc/29/33/36/960293336.db2.gz NBRRYHBBJUXCDG-LBPRGKRZSA-N 2 1 226.364 1.208 20 0 BDADMP C[C@H]1COCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479510 960351895 /nfs/dbraw/zinc/35/18/95/960351895.db2.gz JVHDZKZDHHWJEF-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479719 960355314 /nfs/dbraw/zinc/35/53/14/960355314.db2.gz LSWBZNJAVVTCEO-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC1(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001222465618 972498841 /nfs/dbraw/zinc/49/88/41/972498841.db2.gz WFAXUPRMDGVREZ-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP CC1(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001222465618 972498860 /nfs/dbraw/zinc/49/88/60/972498860.db2.gz WFAXUPRMDGVREZ-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC000311235059 960559793 /nfs/dbraw/zinc/55/97/93/960559793.db2.gz SRVLNQSRZULABU-LBPRGKRZSA-N 2 1 249.358 1.656 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC2(C1)CCOC2 ZINC001140800123 960594557 /nfs/dbraw/zinc/59/45/57/960594557.db2.gz VXQPRECPGDFYTP-UHFFFAOYSA-N 2 1 243.310 1.785 20 0 BDADMP C[C@]1(O)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801182 960596163 /nfs/dbraw/zinc/59/61/63/960596163.db2.gz DTEGUWYNSDUXAC-ZDUSSCGKSA-N 2 1 231.299 1.520 20 0 BDADMP C[C@]1(O)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801182 960596167 /nfs/dbraw/zinc/59/61/67/960596167.db2.gz DTEGUWYNSDUXAC-ZDUSSCGKSA-N 2 1 231.299 1.520 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@]12CCOC2 ZINC001140806018 960602725 /nfs/dbraw/zinc/60/27/25/960602725.db2.gz UIZMIIPMGPVBNE-AWEZNQCLSA-N 2 1 243.310 1.928 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@]12CCOC2 ZINC001140806018 960602734 /nfs/dbraw/zinc/60/27/34/960602734.db2.gz UIZMIIPMGPVBNE-AWEZNQCLSA-N 2 1 243.310 1.928 20 0 BDADMP C(C1CCCC1)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492414 960664619 /nfs/dbraw/zinc/66/46/19/960664619.db2.gz XELOAIHLNUDDSW-KBPBESRZSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OC2CC[NH+](C)CC2)C1 ZINC001222504424 972526374 /nfs/dbraw/zinc/52/63/74/972526374.db2.gz UCGSTKRMASOCKM-ZDUSSCGKSA-N 2 1 226.364 1.580 20 0 BDADMP CC[N@H+]1CCC[C@H](OC2CC[NH+](C)CC2)C1 ZINC001222504773 972530616 /nfs/dbraw/zinc/53/06/16/972530616.db2.gz ZCZLCIMGRJVZEU-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[C@H]1[C@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000925771265 961063221 /nfs/dbraw/zinc/06/32/21/961063221.db2.gz AKDDISPIAOTPLU-XNJGVTPASA-N 2 1 222.376 1.866 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001167842002 961233627 /nfs/dbraw/zinc/23/36/27/961233627.db2.gz VOZAQIDBUKJKCB-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP Cn1cnc2ccc(NC(=[NH2+])SCC[NH3+])cc21 ZINC001167915406 961844367 /nfs/dbraw/zinc/84/43/67/961844367.db2.gz UJONOMOUOOAKBE-UHFFFAOYSA-N 2 1 249.343 1.612 20 0 BDADMP C[NH+](C)Cc1ncccc1OC1CC[NH+](C)CC1 ZINC001225280888 962010002 /nfs/dbraw/zinc/01/00/02/962010002.db2.gz OIBNNGUFEXNQDO-UHFFFAOYSA-N 2 1 249.358 1.616 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNc2cc(N)ncn2)C1 ZINC000132274409 962394243 /nfs/dbraw/zinc/39/42/43/962394243.db2.gz QDCYATLUZJYPPC-SNVBAGLBSA-N 2 1 235.335 1.201 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](CNc2cc(N)[nH+]cn2)C1 ZINC000132274409 962394264 /nfs/dbraw/zinc/39/42/64/962394264.db2.gz QDCYATLUZJYPPC-SNVBAGLBSA-N 2 1 235.335 1.201 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNc2cc(N)[nH+]cn2)C1 ZINC000132274409 962394282 /nfs/dbraw/zinc/39/42/82/962394282.db2.gz QDCYATLUZJYPPC-SNVBAGLBSA-N 2 1 235.335 1.201 20 0 BDADMP FC[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711444120 962704142 /nfs/dbraw/zinc/70/41/42/962704142.db2.gz RMIFIVPSURLFIO-FKJOKYEKSA-N 2 1 226.339 1.951 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](CF)C2)C[NH2+]1 ZINC000711464796 962718839 /nfs/dbraw/zinc/71/88/39/962718839.db2.gz IYIFSCDOEXLBJN-UTUOFQBUSA-N 2 1 214.328 1.808 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](CF)C2)C[NH2+]1 ZINC000711464796 962718844 /nfs/dbraw/zinc/71/88/44/962718844.db2.gz IYIFSCDOEXLBJN-UTUOFQBUSA-N 2 1 214.328 1.808 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000399998152 962833134 /nfs/dbraw/zinc/83/31/34/962833134.db2.gz LQZNSUPMUFEPTP-WOPDTQHZSA-N 2 1 228.405 1.941 20 0 BDADMP Cc1cc[nH+]c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001155620372 963120413 /nfs/dbraw/zinc/12/04/13/963120413.db2.gz VDABGTZZEQRHFF-JSGCOSHPSA-N 2 1 247.342 1.713 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000696610978 963291121 /nfs/dbraw/zinc/29/11/21/963291121.db2.gz SELUMLIUUFWMJU-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](Cc1ccc(N2CC[C@H]([NH3+])C2)nc1)C1CC1 ZINC001156232088 963296046 /nfs/dbraw/zinc/29/60/46/963296046.db2.gz CGMMVAUAIDGVCE-LBPRGKRZSA-N 2 1 246.358 1.213 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000696641210 963331593 /nfs/dbraw/zinc/33/15/93/963331593.db2.gz LTTHQPQMTWDZLB-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP C[NH2+][C@@H]1CCN1c1[nH+]c(C)cc2[nH]ccc21 ZINC001156659721 963431857 /nfs/dbraw/zinc/43/18/57/963431857.db2.gz OKWYTJFTBSTDPE-NSHDSACASA-N 2 1 216.288 1.627 20 0 BDADMP C[N@@H+]1CCC[C@@H]2CN(c3cccc(N)[nH+]3)C[C@H]21 ZINC001157263802 963566318 /nfs/dbraw/zinc/56/63/18/963566318.db2.gz CELJMTPZGVIQLE-GHMZBOCLSA-N 2 1 232.331 1.194 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(c3cccc(N)[nH+]3)C[C@H]21 ZINC001157263802 963566322 /nfs/dbraw/zinc/56/63/22/963566322.db2.gz CELJMTPZGVIQLE-GHMZBOCLSA-N 2 1 232.331 1.194 20 0 BDADMP C[N@@H+]1CCC[C@H]2CN(c3cccc(N)[nH+]3)C[C@@H]21 ZINC001157263804 963568543 /nfs/dbraw/zinc/56/85/43/963568543.db2.gz CELJMTPZGVIQLE-QWRGUYRKSA-N 2 1 232.331 1.194 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(c3cccc(N)[nH+]3)C[C@@H]21 ZINC001157263804 963568547 /nfs/dbraw/zinc/56/85/47/963568547.db2.gz CELJMTPZGVIQLE-QWRGUYRKSA-N 2 1 232.331 1.194 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168076651 963617847 /nfs/dbraw/zinc/61/78/47/963617847.db2.gz ZBTCGFHPWPIASL-VJTDZRGJSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC001168078744 963623869 /nfs/dbraw/zinc/62/38/69/963623869.db2.gz NOVIOXLJPNQALI-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1OCC[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@H]1C ZINC000697017451 963640968 /nfs/dbraw/zinc/64/09/68/963640968.db2.gz SEWYBJORVAHFHS-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1OCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@H]1C ZINC000697017451 963640976 /nfs/dbraw/zinc/64/09/76/963640976.db2.gz SEWYBJORVAHFHS-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CCc1nc(NC2(CC)C[NH2+]C2)cc(C)[nH+]1 ZINC001157787897 963724556 /nfs/dbraw/zinc/72/45/56/963724556.db2.gz PJXJXYLQMVZCRB-UHFFFAOYSA-N 2 1 220.320 1.511 20 0 BDADMP CCCc1cc(NC2(CC)C[NH2+]C2)nc(C)[nH+]1 ZINC001157784866 963725865 /nfs/dbraw/zinc/72/58/65/963725865.db2.gz NBPMXYOHMUEXJR-UHFFFAOYSA-N 2 1 234.347 1.901 20 0 BDADMP c1cc2c(cc[nH+]c2N2CC[N@@H+]3CC[C@H]3C2)[nH]1 ZINC001158426458 963868059 /nfs/dbraw/zinc/86/80/59/963868059.db2.gz ZYLSRZXDBXNZPB-JTQLQIEISA-N 2 1 228.299 1.457 20 0 BDADMP Cc1[nH+]ccc(N[C@H]2C[NH2+]CC[C@H]2F)c1F ZINC001168230929 964013995 /nfs/dbraw/zinc/01/39/95/964013995.db2.gz HGUCGSFOKIMRSU-SCZZXKLOSA-N 2 1 227.258 1.063 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+](C)C[C@@H](C)C[NH3+])C2 ZINC001168245325 964054701 /nfs/dbraw/zinc/05/47/01/964054701.db2.gz WRQWEKDRFNNRFM-SMDDNHRTSA-N 2 1 248.370 1.689 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC000725661333 964227886 /nfs/dbraw/zinc/22/78/86/964227886.db2.gz MJYXLKQMIYFGTB-WDEREUQCSA-N 2 1 214.378 1.695 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001168314554 964420048 /nfs/dbraw/zinc/42/00/48/964420048.db2.gz MVSXJINWMYHHDI-JXQTWKCFSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCCO1 ZINC001168314108 964421592 /nfs/dbraw/zinc/42/15/92/964421592.db2.gz JXKAEDIXCNKSSG-IYXRBSQSSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001168313978 964421757 /nfs/dbraw/zinc/42/17/57/964421757.db2.gz HPVDMNSXLOXKLV-WTIISPKJSA-N 2 1 244.354 1.264 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001168324512 964446534 /nfs/dbraw/zinc/44/65/34/964446534.db2.gz QIJGTHAZRAYVGJ-RUXDESIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccon2)CC1 ZINC001168327352 964456798 /nfs/dbraw/zinc/45/67/98/964456798.db2.gz KEDSZKDKQWIXHF-UHFFFAOYSA-N 2 1 237.347 1.979 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC001168327902 964458814 /nfs/dbraw/zinc/45/88/14/964458814.db2.gz SPJKYTLLSGGAQP-IWMBGFJWSA-N 2 1 240.391 1.968 20 0 BDADMP [NH3+]C1CC[NH+](CCNc2cc(F)ccn2)CC1 ZINC001161867034 964798637 /nfs/dbraw/zinc/79/86/37/964798637.db2.gz JOTYBRMQPWXJMO-UHFFFAOYSA-N 2 1 238.310 1.056 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N[C@H]3C[C@@](C)([NH3+])C3)c12 ZINC001162324832 964930883 /nfs/dbraw/zinc/93/08/83/964930883.db2.gz INCRQAPNTKPMIQ-LYWQIFSTSA-N 2 1 231.303 1.558 20 0 BDADMP CNc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC001162396837 964954783 /nfs/dbraw/zinc/95/47/83/964954783.db2.gz OJHCUKYSPZJZQE-ZJUUUORDSA-N 2 1 220.320 1.805 20 0 BDADMP CC[C@H](C)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000084532993 964987307 /nfs/dbraw/zinc/98/73/07/964987307.db2.gz SSTIRTALMCZUGL-JTQLQIEISA-N 2 1 235.335 1.097 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(CN)c1 ZINC001162468266 964987802 /nfs/dbraw/zinc/98/78/02/964987802.db2.gz WEPUYBXSDCXMQW-VXGBXAGGSA-N 2 1 248.374 1.588 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(CN)c1 ZINC001162468261 964988429 /nfs/dbraw/zinc/98/84/29/964988429.db2.gz WEPUYBXSDCXMQW-NEPJUHHUSA-N 2 1 248.374 1.588 20 0 BDADMP Cc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc(C)[nH+]1 ZINC001162472627 964990929 /nfs/dbraw/zinc/99/09/29/964990929.db2.gz YFCJWYROPMZEAK-UWVGGRQHSA-N 2 1 224.283 1.205 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000698235474 965119352 /nfs/dbraw/zinc/11/93/52/965119352.db2.gz FCSKFQAYLJQWMB-UWVGGRQHSA-N 2 1 202.317 1.855 20 0 BDADMP Cc1cc[nH+]c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162789767 965178494 /nfs/dbraw/zinc/17/84/94/965178494.db2.gz LOIBCWQXKFWFKH-QJPTWQEYSA-N 2 1 215.300 1.576 20 0 BDADMP COc1ccc(C)[nH+]c1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162791905 965181869 /nfs/dbraw/zinc/18/18/69/965181869.db2.gz FCAMXBZUELYFIZ-QJPTWQEYSA-N 2 1 245.326 1.585 20 0 BDADMP Cc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c(C)c(C)[nH+]1 ZINC001162801118 965188873 /nfs/dbraw/zinc/18/88/73/965188873.db2.gz GQHINUSDNHTPPV-FRRDWIJNSA-N 2 1 244.342 1.588 20 0 BDADMP Cc1cc[nH+]c(C)c1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163079367 965256121 /nfs/dbraw/zinc/25/61/21/965256121.db2.gz NNPHGXZVOQNRCD-GFCCVEGCSA-N 2 1 247.342 1.489 20 0 BDADMP Cc1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)[nH+]c1 ZINC001163159564 965269987 /nfs/dbraw/zinc/26/99/87/965269987.db2.gz JOXCUQULLKKCNJ-JHJVBQTASA-N 2 1 247.342 1.426 20 0 BDADMP c1[nH]c2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)cc2[nH+]1 ZINC001163202885 965300451 /nfs/dbraw/zinc/30/04/51/965300451.db2.gz AJXAEIRTJKCFBV-MFKMUULPSA-N 2 1 244.298 1.106 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC001120824094 965419706 /nfs/dbraw/zinc/41/97/06/965419706.db2.gz IIOUPTMJJBHOHP-HZMBPMFUSA-N 2 1 247.342 1.469 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1cc[nH+]c(CO)c1 ZINC001120824096 965422629 /nfs/dbraw/zinc/42/26/29/965422629.db2.gz IIOUPTMJJBHOHP-QMTHXVAHSA-N 2 1 247.342 1.469 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2COC(C)(C)O2)CC[N@H+]1C ZINC000715115861 965723575 /nfs/dbraw/zinc/72/35/75/965723575.db2.gz QMJQOYGUELUGSA-SRVKXCTJSA-N 2 1 242.363 1.210 20 0 BDADMP [NH3+][C@H]1CCN(c2cc3[nH+]c[nH]c3cc2F)C1 ZINC001164285923 965828598 /nfs/dbraw/zinc/82/85/98/965828598.db2.gz ASSZQHSNQZCIPQ-ZETCQYMHSA-N 2 1 220.251 1.239 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117739 965869994 /nfs/dbraw/zinc/86/99/94/965869994.db2.gz UDVMHCSXGWPXCV-GFCCVEGCSA-N 2 1 219.332 1.582 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000699528298 965944954 /nfs/dbraw/zinc/94/49/54/965944954.db2.gz XUMFEUQOCWCBQK-VXGBXAGGSA-N 2 1 223.320 1.206 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000699534055 965950768 /nfs/dbraw/zinc/95/07/68/965950768.db2.gz QKHUOTRXLQXYNU-JQWIXIFHSA-N 2 1 212.337 1.095 20 0 BDADMP CN(C)c1cccc(N2CCC[C@@H]2C[NH+](C)C)[nH+]1 ZINC001165071933 965954655 /nfs/dbraw/zinc/95/46/55/965954655.db2.gz KQAWRKJSSBMOHP-GFCCVEGCSA-N 2 1 248.374 1.678 20 0 BDADMP CCOc1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC001165146187 965973161 /nfs/dbraw/zinc/97/31/61/965973161.db2.gz CNPVAWCNQJNXGP-TXEJJXNPSA-N 2 1 247.342 1.478 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC000699568108 965997096 /nfs/dbraw/zinc/99/70/96/965997096.db2.gz GVFRAKDBVJCVSD-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC000699568113 965997764 /nfs/dbraw/zinc/99/77/64/965997764.db2.gz GVFRAKDBVJCVSD-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000699647306 966021757 /nfs/dbraw/zinc/02/17/57/966021757.db2.gz RZGZPNHEYPQIDV-NQBHXWOUSA-N 2 1 237.347 1.595 20 0 BDADMP [NH3+][C@H]1[C@H]2CN(c3ccc4c([nH+]3)CCCC4)C[C@@H]12 ZINC001165383393 966073548 /nfs/dbraw/zinc/07/35/48/966073548.db2.gz VVBYZZHHJBDDHL-GNXNZQSNSA-N 2 1 229.327 1.354 20 0 BDADMP Cc1cccc2c1cc[nH+]c2N1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001165382835 966073593 /nfs/dbraw/zinc/07/35/93/966073593.db2.gz XQXSAWRFPFXZOE-BTTYYORXSA-N 2 1 239.322 1.937 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980588 966197640 /nfs/dbraw/zinc/19/76/40/966197640.db2.gz QUOGYAXOUXZQST-UKRRQHHQSA-N 2 1 249.402 1.189 20 0 BDADMP N[C@@]12CC[C@@H]1C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980588 966197653 /nfs/dbraw/zinc/19/76/53/966197653.db2.gz QUOGYAXOUXZQST-UKRRQHHQSA-N 2 1 249.402 1.189 20 0 BDADMP N[C@@]12CC[C@@H]1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980588 966197670 /nfs/dbraw/zinc/19/76/70/966197670.db2.gz QUOGYAXOUXZQST-UKRRQHHQSA-N 2 1 249.402 1.189 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1CN(CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980588 966197683 /nfs/dbraw/zinc/19/76/83/966197683.db2.gz QUOGYAXOUXZQST-UKRRQHHQSA-N 2 1 249.402 1.189 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235996338 966222892 /nfs/dbraw/zinc/22/28/92/966222892.db2.gz XBWZPLKUPRZZLG-DGCLKSJQSA-N 2 1 233.315 1.019 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235996338 966222908 /nfs/dbraw/zinc/22/29/08/966222908.db2.gz XBWZPLKUPRZZLG-DGCLKSJQSA-N 2 1 233.315 1.019 20 0 BDADMP [NH3+]CCc1nccn1-c1cccn2c[nH+]cc12 ZINC001166383159 966274435 /nfs/dbraw/zinc/27/44/35/966274435.db2.gz MFLTULYCNMDEGH-UHFFFAOYSA-N 2 1 227.271 1.021 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314757 966366680 /nfs/dbraw/zinc/36/66/80/966366680.db2.gz RZHLOBIDNWKBPB-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP CCc1[nH]c(CN(C)C[C@H](C)[NH3+])c(C)[nH+]1 ZINC001236885280 966605832 /nfs/dbraw/zinc/60/58/32/966605832.db2.gz CIMJGIBYVWVUGH-QMMMGPOBSA-N 2 1 210.325 1.060 20 0 BDADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccsc2)CC1 ZINC001205211544 966850061 /nfs/dbraw/zinc/85/00/61/966850061.db2.gz VXCYIJMXTYQKRS-LBPRGKRZSA-N 2 1 240.372 1.424 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCSC3)[C@@H]2C1 ZINC001204089818 966888608 /nfs/dbraw/zinc/88/86/08/966888608.db2.gz RKENJFLURRXQGD-XQHKEYJVSA-N 2 1 240.416 1.669 20 0 BDADMP COC1CC(C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001204450770 966999994 /nfs/dbraw/zinc/99/99/94/966999994.db2.gz ZEERWRQPHCHIQC-UHFFFAOYSA-N 2 1 240.391 1.685 20 0 BDADMP Cc1[nH+]cc(Nc2ccc[nH+]c2N)n1C ZINC001212398440 967037890 /nfs/dbraw/zinc/03/78/90/967037890.db2.gz UUTVQAGWDHOKMW-UHFFFAOYSA-N 2 1 203.249 1.449 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204762662 967151682 /nfs/dbraw/zinc/15/16/82/967151682.db2.gz APIPCYXPRRYXOC-CYBMUJFWSA-N 2 1 242.363 1.531 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204762662 967151690 /nfs/dbraw/zinc/15/16/90/967151690.db2.gz APIPCYXPRRYXOC-CYBMUJFWSA-N 2 1 242.363 1.531 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763936 967152459 /nfs/dbraw/zinc/15/24/59/967152459.db2.gz TZSNILUGZIQIGP-CYBMUJFWSA-N 3 1 237.391 1.189 20 0 BDADMP C[C@@]1([NH3+])CCN(CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001204763936 967152468 /nfs/dbraw/zinc/15/24/68/967152468.db2.gz TZSNILUGZIQIGP-CYBMUJFWSA-N 2 1 237.391 1.189 20 0 BDADMP C[NH+](C)C1CCC(n2c[nH+]cc2CC[NH3+])CC1 ZINC000715542085 967155449 /nfs/dbraw/zinc/15/54/49/967155449.db2.gz YARSUDGAPRUCLP-UHFFFAOYSA-N 3 1 236.363 1.430 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(N)[nH+]cn2)C1 ZINC000715569797 967185373 /nfs/dbraw/zinc/18/53/73/967185373.db2.gz HQPUOEOYNCVCOV-ZJUUUORDSA-N 2 1 235.335 1.344 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(N)nc[nH+]2)C1 ZINC000715569797 967185379 /nfs/dbraw/zinc/18/53/79/967185379.db2.gz HQPUOEOYNCVCOV-ZJUUUORDSA-N 2 1 235.335 1.344 20 0 BDADMP Cc1nc(C[NH2+]C2CCC([NH+](C)C)CC2)no1 ZINC000715572662 967190828 /nfs/dbraw/zinc/19/08/28/967190828.db2.gz LWXJGXGUTAZIEI-UHFFFAOYSA-N 2 1 238.335 1.340 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001204847547 967194571 /nfs/dbraw/zinc/19/45/71/967194571.db2.gz CGGYHVKUNCJOGB-NWDGAFQWSA-N 2 1 224.348 1.559 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@H](N[C@H]2CCC[N@H+](C)C2)C1 ZINC000715582263 967195101 /nfs/dbraw/zinc/19/51/01/967195101.db2.gz YNLBBUOBMVUPSU-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@H](N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000715582263 967195107 /nfs/dbraw/zinc/19/51/07/967195107.db2.gz YNLBBUOBMVUPSU-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP CC1(C[N@H+]2CCCC[C@H]2CN)CC[NH2+]CC1 ZINC001204918340 967234865 /nfs/dbraw/zinc/23/48/65/967234865.db2.gz CMQLNDHXILAJOJ-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP CC1(CN2CCCC[C@H]2C[NH3+])CC[NH2+]CC1 ZINC001204918340 967234880 /nfs/dbraw/zinc/23/48/80/967234880.db2.gz CMQLNDHXILAJOJ-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000691350298 967262376 /nfs/dbraw/zinc/26/23/76/967262376.db2.gz NNLBHRCRECOFFG-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](C)[N@@H+](CCO)CC1CC[NH+](C)CC1 ZINC000691352054 967262479 /nfs/dbraw/zinc/26/24/79/967262479.db2.gz VHNJOGHAIVCDOY-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693561739 967265564 /nfs/dbraw/zinc/26/55/64/967265564.db2.gz IAMGQKMRFZHWHP-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094151 967337454 /nfs/dbraw/zinc/33/74/54/967337454.db2.gz JBCLOQXSCWNAII-NSHDSACASA-N 2 1 208.309 1.031 20 0 BDADMP COc1cncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205093730 967337711 /nfs/dbraw/zinc/33/77/11/967337711.db2.gz FLEVXFUZXATLSK-LBPRGKRZSA-N 2 1 235.331 1.403 20 0 BDADMP COc1cncc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205093730 967337721 /nfs/dbraw/zinc/33/77/21/967337721.db2.gz FLEVXFUZXATLSK-LBPRGKRZSA-N 2 1 235.331 1.403 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001205110529 967358615 /nfs/dbraw/zinc/35/86/15/967358615.db2.gz VFWSWLVBADRBIB-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001205110528 967360561 /nfs/dbraw/zinc/36/05/61/967360561.db2.gz VFWSWLVBADRBIB-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP COc1ccnc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117893 967363053 /nfs/dbraw/zinc/36/30/53/967363053.db2.gz YFTJYCBTERFWBA-LLVKDONJSA-N 2 1 235.331 1.403 20 0 BDADMP COc1ccnc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117893 967363064 /nfs/dbraw/zinc/36/30/64/967363064.db2.gz YFTJYCBTERFWBA-LLVKDONJSA-N 2 1 235.331 1.403 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3nccnc23)CC1 ZINC001205117137 967365424 /nfs/dbraw/zinc/36/54/24/967365424.db2.gz LPJWUVWAWDUBAU-LLVKDONJSA-N 2 1 245.330 1.223 20 0 BDADMP COc1cccnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205135877 967382258 /nfs/dbraw/zinc/38/22/58/967382258.db2.gz BELJKBIZEYJJGS-WDEREUQCSA-N 2 1 235.331 1.117 20 0 BDADMP COc1cccnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205135877 967382270 /nfs/dbraw/zinc/38/22/70/967382270.db2.gz BELJKBIZEYJJGS-WDEREUQCSA-N 2 1 235.331 1.117 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(CCO)cc2)C[C@H]1C[NH3+] ZINC001205145713 967390088 /nfs/dbraw/zinc/39/00/88/967390088.db2.gz CAKUNLUOBRJJRU-SWLSCSKDSA-N 2 1 248.370 1.248 20 0 BDADMP Cc1nc(F)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150998 967397499 /nfs/dbraw/zinc/39/74/99/967397499.db2.gz MWACTUDLMXPNBT-JOYOIKCWSA-N 2 1 237.322 1.556 20 0 BDADMP Cc1nc(F)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150998 967397506 /nfs/dbraw/zinc/39/75/06/967397506.db2.gz MWACTUDLMXPNBT-JOYOIKCWSA-N 2 1 237.322 1.556 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209488 967427237 /nfs/dbraw/zinc/42/72/37/967427237.db2.gz JUNRRBOFFFUWLJ-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205210125 967431415 /nfs/dbraw/zinc/43/14/15/967431415.db2.gz NBMRIMQJINFWID-OAHLLOKOSA-N 2 1 248.370 1.671 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CC2CCOCC2)CC1 ZINC001205255485 967444084 /nfs/dbraw/zinc/44/40/84/967444084.db2.gz JMEGHXFFFJMWJO-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205256533 967444637 /nfs/dbraw/zinc/44/46/37/967444637.db2.gz PEBOZOJSYQRWED-LBPRGKRZSA-N 2 1 228.336 1.143 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc[nH]2)CC1 ZINC001205264786 967455652 /nfs/dbraw/zinc/45/56/52/967455652.db2.gz MJEZLEXGSRYDRO-LBPRGKRZSA-N 2 1 207.321 1.718 20 0 BDADMP Cn1cncc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205263626 967457211 /nfs/dbraw/zinc/45/72/11/967457211.db2.gz AVKWQSKYTVAMLF-LBPRGKRZSA-N 2 1 222.336 1.123 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cnc(N)s2)CC1 ZINC001205272993 967465478 /nfs/dbraw/zinc/46/54/78/967465478.db2.gz BWEGOSLFXQRYAV-NSHDSACASA-N 2 1 240.376 1.429 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cnco2)CC1 ZINC001205272996 967468430 /nfs/dbraw/zinc/46/84/30/967468430.db2.gz BYDQFGAWLQKHNC-LLVKDONJSA-N 2 1 209.293 1.378 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cnco2)CC1 ZINC001205272996 967468435 /nfs/dbraw/zinc/46/84/35/967468435.db2.gz BYDQFGAWLQKHNC-LLVKDONJSA-N 2 1 209.293 1.378 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cncc(O)c2)CC1 ZINC001205280604 967470497 /nfs/dbraw/zinc/47/04/97/967470497.db2.gz DEUGWDRZKRBYEK-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cncc(O)c2)CC1 ZINC001205280604 967470503 /nfs/dbraw/zinc/47/05/03/967470503.db2.gz DEUGWDRZKRBYEK-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205287706 967481098 /nfs/dbraw/zinc/48/10/98/967481098.db2.gz AZDRTHBETMKPDG-CQSZACIVSA-N 2 1 249.358 1.799 20 0 BDADMP COc1ccoc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205287811 967485039 /nfs/dbraw/zinc/48/50/39/967485039.db2.gz CRAIITCHNAFFIG-CYBMUJFWSA-N 2 1 238.331 1.992 20 0 BDADMP COc1ccoc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205287811 967485048 /nfs/dbraw/zinc/48/50/48/967485048.db2.gz CRAIITCHNAFFIG-CYBMUJFWSA-N 2 1 238.331 1.992 20 0 BDADMP C[C@H]1CCNCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205324721 967539411 /nfs/dbraw/zinc/53/94/11/967539411.db2.gz FPMYSALWRZYFTG-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[NH2+]CCN1CC1(C)CC[NH2+]CC1 ZINC001205324721 967539436 /nfs/dbraw/zinc/53/94/36/967539436.db2.gz FPMYSALWRZYFTG-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205325606 967544036 /nfs/dbraw/zinc/54/40/36/967544036.db2.gz PKSWZLJCXDRPML-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205325606 967544055 /nfs/dbraw/zinc/54/40/55/967544055.db2.gz PKSWZLJCXDRPML-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(N)c1 ZINC001205332570 967551021 /nfs/dbraw/zinc/55/10/21/967551021.db2.gz RZEONNDFKYGDPQ-LLVKDONJSA-N 2 1 219.332 1.453 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(N)c1 ZINC001205332570 967551033 /nfs/dbraw/zinc/55/10/33/967551033.db2.gz RZEONNDFKYGDPQ-LLVKDONJSA-N 2 1 219.332 1.453 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2c(c1)NCC2 ZINC001205340163 967557467 /nfs/dbraw/zinc/55/74/67/967557467.db2.gz PINQBVOTHVBOEF-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2c(c1)NCC2 ZINC001205340163 967557482 /nfs/dbraw/zinc/55/74/82/967557482.db2.gz PINQBVOTHVBOEF-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[NH+](C)Cc1ccccc1CC[NH+]1CCOCC1 ZINC001250274672 967605025 /nfs/dbraw/zinc/60/50/25/967605025.db2.gz PQWIIFPIXVJIAL-UHFFFAOYSA-N 2 1 248.370 1.623 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CC2CC2)CC1 ZINC001205539400 967683142 /nfs/dbraw/zinc/68/31/42/967683142.db2.gz YOGGVMZWASFTIE-LLVKDONJSA-N 2 1 200.301 1.549 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CCCCCO)CC1 ZINC001205539425 967682237 /nfs/dbraw/zinc/68/22/37/967682237.db2.gz YWIXPVFXBPEDJU-GFCCVEGCSA-N 2 1 232.343 1.302 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC001205538820 967684223 /nfs/dbraw/zinc/68/42/23/967684223.db2.gz PTTXDKRDKDZWKD-QWHCGFSZSA-N 2 1 244.354 1.566 20 0 BDADMP CCOC(C)(C)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546671 967686058 /nfs/dbraw/zinc/68/60/58/967686058.db2.gz YKYCMHULDOXODO-CYBMUJFWSA-N 2 1 246.370 1.954 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2nccs2)CC1 ZINC001205546343 967692813 /nfs/dbraw/zinc/69/28/13/967692813.db2.gz UGSAHQQQUCRDGE-LLVKDONJSA-N 2 1 243.351 1.796 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cocn2)CC1 ZINC001205571896 967702565 /nfs/dbraw/zinc/70/25/65/967702565.db2.gz ZDDGWDQXFRNZCR-LLVKDONJSA-N 2 1 227.283 1.328 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cocn2)CC1 ZINC001205571896 967702569 /nfs/dbraw/zinc/70/25/69/967702569.db2.gz ZDDGWDQXFRNZCR-LLVKDONJSA-N 2 1 227.283 1.328 20 0 BDADMP C[C@H]1CC[N@@H+](CC2(C)COC2)CC[C@@H]1C[NH3+] ZINC001205603110 967717434 /nfs/dbraw/zinc/71/74/34/967717434.db2.gz NRVBGIMSTOSIGD-NWDGAFQWSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccn(C)n2)CC[C@H]1C[NH3+] ZINC001205603286 967719907 /nfs/dbraw/zinc/71/99/07/967719907.db2.gz NZRKFLIWSASGIE-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncn2)CC[C@H]1C[NH3+] ZINC001205627493 967736769 /nfs/dbraw/zinc/73/67/69/967736769.db2.gz QCUODUKSGPGXCS-NEPJUHHUSA-N 2 1 234.347 1.283 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC=CO2)CCC1(F)F ZINC001205735530 967808709 /nfs/dbraw/zinc/80/87/09/967808709.db2.gz NGRMMSHJHHLURR-GHMZBOCLSA-N 2 1 246.301 1.595 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)CCC1(F)F ZINC001205735530 967808713 /nfs/dbraw/zinc/80/87/13/967808713.db2.gz NGRMMSHJHHLURR-GHMZBOCLSA-N 2 1 246.301 1.595 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000703840835 967877063 /nfs/dbraw/zinc/87/70/63/967877063.db2.gz PDCASQLNDVHPCW-MCIGGMRASA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCC[NH3+])CCC[C@@H]1C[NH3+] ZINC001205984226 967929778 /nfs/dbraw/zinc/92/97/78/967929778.db2.gz RLPFTEMBHJWBHR-CHWSQXEVSA-N 3 1 227.396 1.422 20 0 BDADMP COCOCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205983088 967935988 /nfs/dbraw/zinc/93/59/88/967935988.db2.gz NQYKWOUKQVLNAG-QWHCGFSZSA-N 2 1 244.379 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CCC[C@H]1C[NH3+] ZINC001205992584 967939949 /nfs/dbraw/zinc/93/99/49/967939949.db2.gz FMDZQFSXZANVCD-YPMHNXCESA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCC[C@@H]1C[NH3+] ZINC001205991341 967942174 /nfs/dbraw/zinc/94/21/74/967942174.db2.gz ADSBEFSSLKJBFZ-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205993428 967946534 /nfs/dbraw/zinc/94/65/34/967946534.db2.gz HPSJVKNTHLUXTL-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cn(C)cn2)CCC[C@H]1C[NH3+] ZINC001205995911 967948163 /nfs/dbraw/zinc/94/81/63/967948163.db2.gz RSGMDVACXMHTGB-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205996721 967949607 /nfs/dbraw/zinc/94/96/07/967949607.db2.gz XYLQFVLXQNNQCZ-WCQYABFASA-N 2 1 248.374 1.592 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)no1 ZINC001205996083 967950272 /nfs/dbraw/zinc/95/02/72/967950272.db2.gz UOEJNXXVKBXDRU-CMPLNLGQSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)no1 ZINC001205996084 967951740 /nfs/dbraw/zinc/95/17/40/967951740.db2.gz UOEJNXXVKBXDRU-JQWIXIFHSA-N 2 1 237.347 1.790 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CCC[C@@H]1C[NH3+] ZINC001205995241 967953694 /nfs/dbraw/zinc/95/36/94/967953694.db2.gz NJIKVOZRMBTUEX-WCQYABFASA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccnnc2)CCC[C@@H]1C[NH3+] ZINC001206005586 967955812 /nfs/dbraw/zinc/95/58/12/967955812.db2.gz YUBGCHDPUOPDAB-WCQYABFASA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnco2)CCC[C@@H]1C[NH3+] ZINC001206004782 967956677 /nfs/dbraw/zinc/95/66/77/967956677.db2.gz VIUPGCCHIFUMPB-WDEREUQCSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@H+](Cc2csnn2)CCC[C@@H]1C[NH3+] ZINC001206003410 967959845 /nfs/dbraw/zinc/95/98/45/967959845.db2.gz HQLUTEORSUHACS-NXEZZACHSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2csnn2)CCC[C@@H]1C[NH3+] ZINC001206003410 967959865 /nfs/dbraw/zinc/95/98/65/967959865.db2.gz HQLUTEORSUHACS-NXEZZACHSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccnnc2)CCC[C@H]1C[NH3+] ZINC001206005584 967961912 /nfs/dbraw/zinc/96/19/12/967961912.db2.gz YUBGCHDPUOPDAB-AAEUAGOBSA-N 2 1 234.347 1.283 20 0 BDADMP CCc1cccc(N[C@@H]2COCCC23C[NH2+]C3)[nH+]1 ZINC001163079237 967988554 /nfs/dbraw/zinc/98/85/54/967988554.db2.gz MKCMISSCRBRCHQ-GFCCVEGCSA-N 2 1 247.342 1.434 20 0 BDADMP N[C@@H]1CC[N@@H+](Cc2ccc[nH]c2=O)CC[C@@H]1F ZINC001206167034 968100688 /nfs/dbraw/zinc/10/06/88/968100688.db2.gz WETNCQONGVVXKV-WDEREUQCSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc[nH]c2=O)CC[C@@H]1F ZINC001206167034 968100706 /nfs/dbraw/zinc/10/07/06/968100706.db2.gz WETNCQONGVVXKV-WDEREUQCSA-N 2 1 239.294 1.048 20 0 BDADMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206165791 968105281 /nfs/dbraw/zinc/10/52/81/968105281.db2.gz OUKNISPIZBXGLH-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206165791 968105284 /nfs/dbraw/zinc/10/52/84/968105284.db2.gz OUKNISPIZBXGLH-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206304201 968209808 /nfs/dbraw/zinc/20/98/08/968209808.db2.gz HEDDXIWJLXAAQN-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC001206337881 968242389 /nfs/dbraw/zinc/24/23/89/968242389.db2.gz WMBJCKCIKYYARB-OLZOCXBDSA-N 2 1 242.338 1.832 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001206337881 968242401 /nfs/dbraw/zinc/24/24/01/968242401.db2.gz WMBJCKCIKYYARB-OLZOCXBDSA-N 2 1 242.338 1.832 20 0 BDADMP C[C@@]1(CO)CCC[N@@H+](CCCC[NH3+])CC1 ZINC001206404623 968283530 /nfs/dbraw/zinc/28/35/30/968283530.db2.gz MOCSATJHIWLOIA-GFCCVEGCSA-N 2 1 214.353 1.210 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001251782497 968311944 /nfs/dbraw/zinc/31/19/44/968311944.db2.gz FGIOGIUVKYAULI-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001251782497 968311955 /nfs/dbraw/zinc/31/19/55/968311955.db2.gz FGIOGIUVKYAULI-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206463707 968317547 /nfs/dbraw/zinc/31/75/47/968317547.db2.gz CEQLIKSSLJIFKG-UONOGXRCSA-N 2 1 234.343 1.055 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1O ZINC001206456730 968319296 /nfs/dbraw/zinc/31/92/96/968319296.db2.gz OWMMUSMVOXFBCU-QWHCGFSZSA-N 2 1 226.364 1.208 20 0 BDADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206457948 968319327 /nfs/dbraw/zinc/31/93/27/968319327.db2.gz VPPNACOKRJHPKT-YIYPIFLZSA-N 2 1 238.375 1.230 20 0 BDADMP Cc1ccc(C)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512636 968347974 /nfs/dbraw/zinc/34/79/74/968347974.db2.gz RZNGUSAPZJSAPK-KBPBESRZSA-N 2 1 234.343 1.055 20 0 BDADMP CCc1ccccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206524958 968355404 /nfs/dbraw/zinc/35/54/04/968355404.db2.gz CHZREQSRULGTON-KBPBESRZSA-N 2 1 234.343 1.000 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)sc1C ZINC001206530214 968358883 /nfs/dbraw/zinc/35/88/83/968358883.db2.gz DWFWIBDZDHSUPP-JQWIXIFHSA-N 2 1 240.372 1.116 20 0 BDADMP COC(=O)CCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206542116 968365387 /nfs/dbraw/zinc/36/53/87/968365387.db2.gz RQXIZSXPBMHLER-ZDUSSCGKSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc[nH]2)C1 ZINC001206542114 968369762 /nfs/dbraw/zinc/36/97/62/968369762.db2.gz RQTMTRSCWMSBHR-ZDUSSCGKSA-N 2 1 221.348 1.966 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(=O)[nH]2)C1 ZINC001206547619 968370669 /nfs/dbraw/zinc/37/06/69/968370669.db2.gz DOEBKGUQXYWFSX-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001251961336 968398681 /nfs/dbraw/zinc/39/86/81/968398681.db2.gz ISOBQTYXJPJRJA-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)[N@@H+](CCCCO)[C@H]1CCC[NH2+]CC1 ZINC001206581559 968399268 /nfs/dbraw/zinc/39/92/68/968399268.db2.gz KFAZPPOFHPRLOF-ZDUSSCGKSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@H](O)C[NH2+][C@@H](CCN(C)C)c1ccccc1 ZINC001251969297 968411650 /nfs/dbraw/zinc/41/16/50/968411650.db2.gz XIBNGVZHOAVDML-JSGCOSHPSA-N 2 1 236.359 1.650 20 0 BDADMP C[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001251969297 968411653 /nfs/dbraw/zinc/41/16/53/968411653.db2.gz XIBNGVZHOAVDML-JSGCOSHPSA-N 2 1 236.359 1.650 20 0 BDADMP COc1cnccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615149 968420186 /nfs/dbraw/zinc/42/01/86/968420186.db2.gz DBWCPSUHUVJSQM-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP COc1cnccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615149 968420189 /nfs/dbraw/zinc/42/01/89/968420189.db2.gz DBWCPSUHUVJSQM-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP CC[N@H+]1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206709104 968438586 /nfs/dbraw/zinc/43/85/86/968438586.db2.gz CEWXHYLRJCIKRS-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP CCCC[C@@H](O)C[N@@H+](C)CCC[NH+](C)C ZINC001252076368 968493491 /nfs/dbraw/zinc/49/34/91/968493491.db2.gz KIHBQJCSXQFIDF-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc[nH]c3=O)C2)C1 ZINC001207009749 968547138 /nfs/dbraw/zinc/54/71/38/968547138.db2.gz YHTUSHSCJHFLRS-CQSZACIVSA-N 2 1 247.342 1.315 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)C1 ZINC001207009749 968547142 /nfs/dbraw/zinc/54/71/42/968547142.db2.gz YHTUSHSCJHFLRS-CQSZACIVSA-N 2 1 247.342 1.315 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc[nH]c3=O)C2)C1 ZINC001207009749 968547146 /nfs/dbraw/zinc/54/71/46/968547146.db2.gz YHTUSHSCJHFLRS-CQSZACIVSA-N 2 1 247.342 1.315 20 0 BDADMP CCCC[C@@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001252095562 968572349 /nfs/dbraw/zinc/57/23/49/968572349.db2.gz AEWHCFOXIAPXJK-CYBMUJFWSA-N 2 1 230.396 1.811 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001252098902 968583911 /nfs/dbraw/zinc/58/39/11/968583911.db2.gz XIJJPGJTDRXJOZ-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001207274711 968705987 /nfs/dbraw/zinc/70/59/87/968705987.db2.gz FJLCZCPNSISUBX-NEPJUHHUSA-N 2 1 246.370 1.369 20 0 BDADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275706 968712922 /nfs/dbraw/zinc/71/29/22/968712922.db2.gz ODWLNVDPSUVLCA-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[C@@H]1O ZINC001207391323 968744950 /nfs/dbraw/zinc/74/49/50/968744950.db2.gz FBFZXBUJZLSWGW-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP Cn1cc2c(n1)CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207398232 968745418 /nfs/dbraw/zinc/74/54/18/968745418.db2.gz BCZBTAOJSJXNFP-UHFFFAOYSA-N 2 1 248.374 1.120 20 0 BDADMP Cc1nc2c(o1)CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207402933 968753941 /nfs/dbraw/zinc/75/39/41/968753941.db2.gz PEAGCEWZGJRBNS-UHFFFAOYSA-N 2 1 249.358 1.683 20 0 BDADMP Cc1nc2c(o1)CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207402933 968753951 /nfs/dbraw/zinc/75/39/51/968753951.db2.gz PEAGCEWZGJRBNS-UHFFFAOYSA-N 2 1 249.358 1.683 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C1CC(F)(F)C1 ZINC001207436919 968754970 /nfs/dbraw/zinc/75/49/70/968754970.db2.gz WWSAEGQIBFVESQ-UHFFFAOYSA-N 2 1 218.291 1.716 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC2(COC2)C1 ZINC001207435769 968768852 /nfs/dbraw/zinc/76/88/52/968768852.db2.gz MLLQGBZEJZPZAL-UHFFFAOYSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC001207436838 968769804 /nfs/dbraw/zinc/76/98/04/968769804.db2.gz RTPWFCCJGCCRGT-RYUDHWBXSA-N 2 1 232.318 1.758 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001207436238 968770112 /nfs/dbraw/zinc/77/01/12/968770112.db2.gz YOAVBJGIPYYTJZ-OLZOCXBDSA-N 2 1 224.348 1.097 20 0 BDADMP c1cnc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207437639 968770704 /nfs/dbraw/zinc/77/07/04/968770704.db2.gz NBGGZBURWJWZAZ-UHFFFAOYSA-N 2 1 231.343 1.439 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC2CC[NH2+]CC2)cn1 ZINC001207440856 968772468 /nfs/dbraw/zinc/77/24/68/968772468.db2.gz HXOYGUUDXPOGOY-UHFFFAOYSA-N 2 1 234.347 1.216 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC001207470449 968790617 /nfs/dbraw/zinc/79/06/17/968790617.db2.gz RVUDYYQTJFFOAC-BFHYXJOUSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479754 968794717 /nfs/dbraw/zinc/79/47/17/968794717.db2.gz MWDNFTAMLKIADO-UHFFFAOYSA-N 3 1 241.423 1.602 20 0 BDADMP CN(C)CCC[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479754 968794725 /nfs/dbraw/zinc/79/47/25/968794725.db2.gz MWDNFTAMLKIADO-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CN(C)CCC[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479754 968794729 /nfs/dbraw/zinc/79/47/29/968794729.db2.gz MWDNFTAMLKIADO-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CC[N@@H+](CCC1CC[NH+](C)CC1)C1CN(C)C1 ZINC001207487120 968796773 /nfs/dbraw/zinc/79/67/73/968796773.db2.gz HQMFIBKJWDXEOF-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001207481292 968796982 /nfs/dbraw/zinc/79/69/82/968796982.db2.gz APXXXHOBTPEEDC-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C[C@H]1O ZINC001207480143 968797731 /nfs/dbraw/zinc/79/77/31/968797731.db2.gz UVRHKNBSSJUJRS-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@@H]1O ZINC001207481623 968798577 /nfs/dbraw/zinc/79/85/77/968798577.db2.gz MDYSNFBUYCERIB-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2CCn3ccnc3C2)CC1 ZINC001207482476 968798598 /nfs/dbraw/zinc/79/85/98/968798598.db2.gz XZLDSMQCLKFGMY-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCn3ccnc3C2)CC1 ZINC001207482476 968798601 /nfs/dbraw/zinc/79/86/01/968798601.db2.gz XZLDSMQCLKFGMY-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001207835420 968896926 /nfs/dbraw/zinc/89/69/26/968896926.db2.gz CBQBETLIYSJQOA-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[N@@H+]1C ZINC001207861767 968907862 /nfs/dbraw/zinc/90/78/62/968907862.db2.gz HQWIWPUHCWDLNV-KSSYENDESA-N 2 1 224.348 1.379 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[N@H+]1C ZINC001207861767 968907868 /nfs/dbraw/zinc/90/78/68/968907868.db2.gz HQWIWPUHCWDLNV-KSSYENDESA-N 2 1 224.348 1.379 20 0 BDADMP C1CC1[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CO1 ZINC000691410395 968913859 /nfs/dbraw/zinc/91/38/59/968913859.db2.gz JJAMZFMNJHJHQQ-SFWGVHFYSA-N 2 1 248.370 1.140 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207894596 968916330 /nfs/dbraw/zinc/91/63/30/968916330.db2.gz QWVCVSOXJLVYMQ-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207894596 968916338 /nfs/dbraw/zinc/91/63/38/968916338.db2.gz QWVCVSOXJLVYMQ-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207894596 968916343 /nfs/dbraw/zinc/91/63/43/968916343.db2.gz QWVCVSOXJLVYMQ-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001208107885 969002165 /nfs/dbraw/zinc/00/21/65/969002165.db2.gz LKRQXIVKPSKSJM-ZDUSSCGKSA-N 2 1 244.354 1.125 20 0 BDADMP C[N@@H+](CCF)CC1(C)CC[NH+](C)CC1 ZINC001208114894 969009616 /nfs/dbraw/zinc/00/96/16/969009616.db2.gz DIUAILDEJUOVCO-UHFFFAOYSA-N 2 1 202.317 1.620 20 0 BDADMP CC[NH+](CC)C[C@H](O)CNc1ccc(C)c[nH+]1 ZINC001253175184 969099264 /nfs/dbraw/zinc/09/92/64/969099264.db2.gz XRXUPMKSAAUATM-GFCCVEGCSA-N 2 1 237.347 1.505 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001253188152 969107437 /nfs/dbraw/zinc/10/74/37/969107437.db2.gz QXWKTUNCVSGTGH-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@@H]1O ZINC001208184536 969117079 /nfs/dbraw/zinc/11/70/79/969117079.db2.gz MRDKQTAOZUUZDP-STQMWFEESA-N 2 1 240.391 1.421 20 0 BDADMP COC[C@H]1CC[N@@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208189043 969119812 /nfs/dbraw/zinc/11/98/12/969119812.db2.gz PUMSRAHUSXEJMA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CC[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208189043 969119816 /nfs/dbraw/zinc/11/98/16/969119816.db2.gz PUMSRAHUSXEJMA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC001208597075 969146357 /nfs/dbraw/zinc/14/63/57/969146357.db2.gz BSOFBYNSILCIJT-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001208592002 969146859 /nfs/dbraw/zinc/14/68/59/969146859.db2.gz AJWVIFHIQYJRAH-OKILXGFUSA-N 2 1 238.375 1.582 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](COC)C2)CC1 ZINC001208592085 969147419 /nfs/dbraw/zinc/14/74/19/969147419.db2.gz DDVRMVJUPGKJIZ-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)C2COC2)CC1 ZINC001208597972 969151452 /nfs/dbraw/zinc/15/14/52/969151452.db2.gz OLGSCFHNWCBSKZ-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001208597714 969151622 /nfs/dbraw/zinc/15/16/22/969151622.db2.gz LKBWFQBAYKFRJP-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001208593478 969151940 /nfs/dbraw/zinc/15/19/40/969151940.db2.gz TYECUTJFPBZLSG-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC001208593630 969152646 /nfs/dbraw/zinc/15/26/46/969152646.db2.gz YEXZVTRSMLPSRA-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CCO[C@@H]1CC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC001208602827 969157417 /nfs/dbraw/zinc/15/74/17/969157417.db2.gz OKUFWJLTSAOTIE-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H](O)C2)C1 ZINC001208607654 969162901 /nfs/dbraw/zinc/16/29/01/969162901.db2.gz MLWXGMJSNYTBFU-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208614171 969171011 /nfs/dbraw/zinc/17/10/11/969171011.db2.gz LBKGYQTZPHMASS-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208614171 969171015 /nfs/dbraw/zinc/17/10/15/969171015.db2.gz LBKGYQTZPHMASS-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC001208614171 969171018 /nfs/dbraw/zinc/17/10/18/969171018.db2.gz LBKGYQTZPHMASS-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC001208614171 969171022 /nfs/dbraw/zinc/17/10/22/969171022.db2.gz LBKGYQTZPHMASS-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@]23CCOC3)C1 ZINC001208617520 969178506 /nfs/dbraw/zinc/17/85/06/969178506.db2.gz PRPLDEPVIOZCFP-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@]23CCOC3)C1 ZINC001208617520 969178508 /nfs/dbraw/zinc/17/85/08/969178508.db2.gz PRPLDEPVIOZCFP-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@]23CCOC3)C1 ZINC001208617520 969178511 /nfs/dbraw/zinc/17/85/11/969178511.db2.gz PRPLDEPVIOZCFP-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@]23CCOC3)C1 ZINC001208617520 969178515 /nfs/dbraw/zinc/17/85/15/969178515.db2.gz PRPLDEPVIOZCFP-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3cccnc3)C[C@@H]2C1 ZINC001209181840 969374899 /nfs/dbraw/zinc/37/48/99/969374899.db2.gz GWEDPULMYNDOGE-GASCZTMLSA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3cccnc3)C[C@@H]2C1 ZINC001209181840 969374903 /nfs/dbraw/zinc/37/49/03/969374903.db2.gz GWEDPULMYNDOGE-GASCZTMLSA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@@H]1CC[N@H+](C)C1)C2 ZINC001169095744 969382830 /nfs/dbraw/zinc/38/28/30/969382830.db2.gz SKOIKEPDOLOTMF-XDQVBPFNSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095744 969382833 /nfs/dbraw/zinc/38/28/33/969382833.db2.gz SKOIKEPDOLOTMF-XDQVBPFNSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095744 969382838 /nfs/dbraw/zinc/38/28/38/969382838.db2.gz SKOIKEPDOLOTMF-XDQVBPFNSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001169095744 969382840 /nfs/dbraw/zinc/38/28/40/969382840.db2.gz SKOIKEPDOLOTMF-XDQVBPFNSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)C1)C2 ZINC001169095744 969382845 /nfs/dbraw/zinc/38/28/45/969382845.db2.gz SKOIKEPDOLOTMF-XDQVBPFNSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095744 969382847 /nfs/dbraw/zinc/38/28/47/969382847.db2.gz SKOIKEPDOLOTMF-XDQVBPFNSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095744 969382851 /nfs/dbraw/zinc/38/28/51/969382851.db2.gz SKOIKEPDOLOTMF-XDQVBPFNSA-N 3 1 237.391 1.153 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C13CC(C1)C3)C2 ZINC001169093188 969385590 /nfs/dbraw/zinc/38/55/90/969385590.db2.gz FYKPUEZDJDYKEF-UOARYYOJSA-N 2 1 206.333 1.754 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CC(C)(C)O1)C2 ZINC001169097540 969388826 /nfs/dbraw/zinc/38/88/26/969388826.db2.gz BCTUKMLGMRHLMC-RVMXOQNASA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078825 969395061 /nfs/dbraw/zinc/39/50/61/969395061.db2.gz HSNPCPNFRQDGOP-ITGHMWBKSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001253778527 969399070 /nfs/dbraw/zinc/39/90/70/969399070.db2.gz SJYZZANECGYYAN-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078354 969399377 /nfs/dbraw/zinc/39/93/77/969399377.db2.gz DKTIHLPDDWBLLX-FIQHERPVSA-N 2 1 212.337 1.236 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169079140 969400363 /nfs/dbraw/zinc/40/03/63/969400363.db2.gz JBVYLZGLLCQPLO-YIYPIFLZSA-N 2 1 240.391 1.872 20 0 BDADMP COCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209214994 969401250 /nfs/dbraw/zinc/40/12/50/969401250.db2.gz KQOOMCLVBKPWQS-GFCCVEGCSA-N 2 1 236.315 1.490 20 0 BDADMP COCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209214994 969401254 /nfs/dbraw/zinc/40/12/54/969401254.db2.gz KQOOMCLVBKPWQS-GFCCVEGCSA-N 2 1 236.315 1.490 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001169080327 969401433 /nfs/dbraw/zinc/40/14/33/969401433.db2.gz MNNKQLLBQOYZIH-UJPOAAIJSA-N 2 1 224.348 1.115 20 0 BDADMP CC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169079825 969403224 /nfs/dbraw/zinc/40/32/24/969403224.db2.gz LVONMXWPLPFKFZ-SSYPOUIUSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079815 969403421 /nfs/dbraw/zinc/40/34/21/969403421.db2.gz LRUYEFBXEIFNMJ-MLGHIDQZSA-N 2 1 208.349 1.857 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc(C[NH3+])c1)C2 ZINC001169080394 969404310 /nfs/dbraw/zinc/40/43/10/969404310.db2.gz NBWHFIPMQDOVOB-GDNZZTSVSA-N 2 1 220.320 1.140 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C2 ZINC001169080427 969404528 /nfs/dbraw/zinc/40/45/28/969404528.db2.gz NGSDBUOYFWRUQX-RKQHYHRCSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001169089796 969407382 /nfs/dbraw/zinc/40/73/82/969407382.db2.gz FYOPECNOSNSLMZ-RVMXOQNASA-N 2 1 223.364 1.035 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(CC[NH3+])n1)C2 ZINC001169091256 969409089 /nfs/dbraw/zinc/40/90/89/969409089.db2.gz PZOWIOLGTHTPAO-ITGUQSILSA-N 2 1 234.347 1.182 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccnc1CCC[NH3+])C2 ZINC001169122878 969420488 /nfs/dbraw/zinc/42/04/88/969420488.db2.gz FQZGBSPJNCFSLG-CLLJXQQHSA-N 2 1 248.374 1.572 20 0 BDADMP CO[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125960 969428902 /nfs/dbraw/zinc/42/89/02/969428902.db2.gz OHWXEICBXIAGAY-LOWDOPEQSA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125960 969428910 /nfs/dbraw/zinc/42/89/10/969428910.db2.gz OHWXEICBXIAGAY-LOWDOPEQSA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125960 969428916 /nfs/dbraw/zinc/42/89/16/969428916.db2.gz OHWXEICBXIAGAY-LOWDOPEQSA-N 2 1 224.348 1.332 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C)([NH3+])CC1)C2 ZINC001169106837 969447093 /nfs/dbraw/zinc/44/70/93/969447093.db2.gz AJTHQXIVWQRJCA-CLLJXQQHSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC([NH+]3CCCC3)C1)C2 ZINC001169141031 969452036 /nfs/dbraw/zinc/45/20/36/969452036.db2.gz OCTWARQGARGUEN-WDNDVIMCSA-N 2 1 249.402 1.392 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]13CCOC3)C2 ZINC001169153030 969467960 /nfs/dbraw/zinc/46/79/60/969467960.db2.gz GCUTUUTYDZNOKF-XJFOESAGSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]13CCOC3)C2 ZINC001169153030 969467968 /nfs/dbraw/zinc/46/79/68/969467968.db2.gz GCUTUUTYDZNOKF-XJFOESAGSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]13CCOC3)C2 ZINC001169153030 969467975 /nfs/dbraw/zinc/46/79/75/969467975.db2.gz GCUTUUTYDZNOKF-XJFOESAGSA-N 2 1 236.359 1.476 20 0 BDADMP CO[C@@H](C)C1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169154422 969471775 /nfs/dbraw/zinc/47/17/75/969471775.db2.gz QDGFDLRHOJEFRJ-SCUASFONSA-N 2 1 238.375 1.578 20 0 BDADMP CCC[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC001169231350 969507554 /nfs/dbraw/zinc/50/75/54/969507554.db2.gz ZYBALMAPQPPIHY-GFCCVEGCSA-N 2 1 214.353 1.221 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)CC1 ZINC001169266128 969523287 /nfs/dbraw/zinc/52/32/87/969523287.db2.gz SPQUZMBVDHQGHQ-MRVWCRGKSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)CC1 ZINC001169266128 969523293 /nfs/dbraw/zinc/52/32/93/969523293.db2.gz SPQUZMBVDHQGHQ-MRVWCRGKSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccncc2)CC1 ZINC001169241465 969528893 /nfs/dbraw/zinc/52/88/93/969528893.db2.gz KTWWJMKUWGQAEO-CQSZACIVSA-N 2 1 249.358 1.189 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2COC)CC1 ZINC001169245137 969530463 /nfs/dbraw/zinc/53/04/63/969530463.db2.gz ABRRXWFEUAPUEJ-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCC[C@H]2COC)CC1 ZINC001169245137 969530475 /nfs/dbraw/zinc/53/04/75/969530475.db2.gz ABRRXWFEUAPUEJ-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@]23CCCOC3)CC1 ZINC001169242102 969532249 /nfs/dbraw/zinc/53/22/49/969532249.db2.gz WAUAZOFDHVAPFV-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP CCN1CCC([N@H+]2CC[C@H](COC)C2)CC1 ZINC001169246209 969534609 /nfs/dbraw/zinc/53/46/09/969534609.db2.gz PLXPUUMZOANFFX-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](COC)C2)CC1 ZINC001169246209 969534615 /nfs/dbraw/zinc/53/46/15/969534615.db2.gz PLXPUUMZOANFFX-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](COC)C2)CC1 ZINC001169246209 969534617 /nfs/dbraw/zinc/53/46/17/969534617.db2.gz PLXPUUMZOANFFX-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)[N@H+]1CCN(Cc2c[nH+]ccc2N)C[C@@H]1C ZINC001209733136 969593834 /nfs/dbraw/zinc/59/38/34/969593834.db2.gz IOJZYUIKBTWFEE-LBPRGKRZSA-N 2 1 248.374 1.409 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254387175 969604721 /nfs/dbraw/zinc/60/47/21/969604721.db2.gz GAFSOMOHYBUBIX-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254387175 969604727 /nfs/dbraw/zinc/60/47/27/969604727.db2.gz GAFSOMOHYBUBIX-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254387175 969604735 /nfs/dbraw/zinc/60/47/35/969604735.db2.gz GAFSOMOHYBUBIX-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c[nH]1 ZINC001206011832 969638569 /nfs/dbraw/zinc/63/85/69/969638569.db2.gz GTFKVFVZHAJGTQ-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC001206011832 969638575 /nfs/dbraw/zinc/63/85/75/969638575.db2.gz GTFKVFVZHAJGTQ-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC001206011832 969638581 /nfs/dbraw/zinc/63/85/81/969638581.db2.gz GTFKVFVZHAJGTQ-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2cccnc2C[NH3+])CC1 ZINC001254507754 969652747 /nfs/dbraw/zinc/65/27/47/969652747.db2.gz CXGMCNJSQMLGAB-NSHDSACASA-N 2 1 234.347 1.437 20 0 BDADMP Cc1cc(C[NH3+])nn1[C@@H]1CCC[N@H+](C)CC1 ZINC001254499936 969659914 /nfs/dbraw/zinc/65/99/14/969659914.db2.gz QKBZQNFDNCVKGG-GFCCVEGCSA-N 2 1 222.336 1.307 20 0 BDADMP C[NH+](C)CCCCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254500670 969659983 /nfs/dbraw/zinc/65/99/83/969659983.db2.gz XRSZKBBJJFXJPE-CQSZACIVSA-N 3 1 241.423 1.792 20 0 BDADMP CN1CCC[C@@H]([NH2+]CCCCC[NH+](C)C)CC1 ZINC001254500670 969659993 /nfs/dbraw/zinc/65/99/93/969659993.db2.gz XRSZKBBJJFXJPE-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2(CO)CCCC2)CC1 ZINC001254500128 969661286 /nfs/dbraw/zinc/66/12/86/969661286.db2.gz FSLLPIHJINZEAM-GFCCVEGCSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2CO)CC1 ZINC001254502015 969665192 /nfs/dbraw/zinc/66/51/92/969665192.db2.gz AZZKCEJMOYEMET-HNNXBMFYSA-N 2 1 248.370 1.753 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2CO)CC1 ZINC001254502020 969665517 /nfs/dbraw/zinc/66/55/17/969665517.db2.gz AZZKCEJMOYEMET-OAHLLOKOSA-N 2 1 248.370 1.753 20 0 BDADMP C[C@@H](CO)CC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254510514 969679283 /nfs/dbraw/zinc/67/92/83/969679283.db2.gz XFPCNMNVRFNACB-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP CN(CCC[NH+](C)C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515663 969688665 /nfs/dbraw/zinc/68/86/65/969688665.db2.gz ANFWSZGCQKNVCY-ZDUSSCGKSA-N 2 1 227.396 1.354 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)c2ccncc2)CC1 ZINC001254514032 969691826 /nfs/dbraw/zinc/69/18/26/969691826.db2.gz IOSFZCKXGDZUBC-KGLIPLIRSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001254518587 969697982 /nfs/dbraw/zinc/69/79/82/969697982.db2.gz CDOASDJQYBKVFI-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001254518587 969697991 /nfs/dbraw/zinc/69/79/91/969697991.db2.gz CDOASDJQYBKVFI-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001254518587 969698001 /nfs/dbraw/zinc/69/80/01/969698001.db2.gz CDOASDJQYBKVFI-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001254518709 969698534 /nfs/dbraw/zinc/69/85/34/969698534.db2.gz DDNRITFVQOBMIR-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001254518709 969698543 /nfs/dbraw/zinc/69/85/43/969698543.db2.gz DDNRITFVQOBMIR-KBPBESRZSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)[C@H]1CCC[NH+](C)CC1 ZINC001254522582 969709216 /nfs/dbraw/zinc/70/92/16/969709216.db2.gz HKIXQACJLYXNDO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C[C@H]1CCCCO1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522582 969709227 /nfs/dbraw/zinc/70/92/27/969709227.db2.gz HKIXQACJLYXNDO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C[C@H]1CCCCO1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522582 969709236 /nfs/dbraw/zinc/70/92/36/969709236.db2.gz HKIXQACJLYXNDO-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@@H+](C1CCOCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522924 969712666 /nfs/dbraw/zinc/71/26/66/969712666.db2.gz KPFYWMJFJFETKY-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](C1CCOCC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522924 969712671 /nfs/dbraw/zinc/71/26/71/969712671.db2.gz KPFYWMJFJFETKY-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](C1CCOCC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522924 969712676 /nfs/dbraw/zinc/71/26/76/969712676.db2.gz KPFYWMJFJFETKY-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254530361 969734395 /nfs/dbraw/zinc/73/43/95/969734395.db2.gz WNBZLPQCCRQDRC-RDBSUJKOSA-N 2 1 238.375 1.724 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254530361 969734399 /nfs/dbraw/zinc/73/43/99/969734399.db2.gz WNBZLPQCCRQDRC-RDBSUJKOSA-N 2 1 238.375 1.724 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254530361 969734404 /nfs/dbraw/zinc/73/44/04/969734404.db2.gz WNBZLPQCCRQDRC-RDBSUJKOSA-N 2 1 238.375 1.724 20 0 BDADMP NCc1cc(NCC[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC001169568109 969766866 /nfs/dbraw/zinc/76/68/66/969766866.db2.gz QXNANFLPLWNBER-SNVBAGLBSA-N 2 1 220.320 1.094 20 0 BDADMP CN([C@@H]1CC[N@@H+](C)C1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254859129 969810953 /nfs/dbraw/zinc/81/09/53/969810953.db2.gz BVDIFLXHDVKWDS-KGLIPLIRSA-N 2 1 237.391 1.107 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254944326 969833457 /nfs/dbraw/zinc/83/34/57/969833457.db2.gz QAJDTKHXKBGDNX-GHMZBOCLSA-N 2 1 247.342 1.705 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1Cc2ccccc2C1 ZINC001255012254 969844277 /nfs/dbraw/zinc/84/42/77/969844277.db2.gz SGHPOAPCXQLARM-UHFFFAOYSA-N 2 1 204.317 1.481 20 0 BDADMP CNc1cc[nH+]c(NCC23CC[NH+](CC2)CC3)n1 ZINC001169794862 969860897 /nfs/dbraw/zinc/86/08/97/969860897.db2.gz ZPFMJAIMYORTIC-UHFFFAOYSA-N 2 1 247.346 1.416 20 0 BDADMP Cc1cc(NCC23CC[NH+](CC2)CC3)nc(C)[nH+]1 ZINC001169793135 969861676 /nfs/dbraw/zinc/86/16/76/969861676.db2.gz KZTKQEUVQDOMBI-UHFFFAOYSA-N 2 1 246.358 1.991 20 0 BDADMP C[NH2+][C@@H]1CCN1c1cc2[nH]ccc2c(C)[nH+]1 ZINC001156660969 969974576 /nfs/dbraw/zinc/97/45/76/969974576.db2.gz VXOVGUXKAGBMLI-NSHDSACASA-N 2 1 216.288 1.627 20 0 BDADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC001255270882 970023202 /nfs/dbraw/zinc/02/32/02/970023202.db2.gz MVRREUITUCFBMO-SRVKXCTJSA-N 2 1 228.405 1.954 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255287147 970042491 /nfs/dbraw/zinc/04/24/91/970042491.db2.gz VRRNQLFCKNCYJS-WOPDTQHZSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255287147 970042500 /nfs/dbraw/zinc/04/25/00/970042500.db2.gz VRRNQLFCKNCYJS-WOPDTQHZSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255287147 970042508 /nfs/dbraw/zinc/04/25/08/970042508.db2.gz VRRNQLFCKNCYJS-WOPDTQHZSA-N 2 1 226.389 1.375 20 0 BDADMP CCC[NH+](CCC)CCN[C@@H]1CC[N@@H+](C)C1 ZINC001255413532 970135826 /nfs/dbraw/zinc/13/58/26/970135826.db2.gz XJYDDPQPPXFDRJ-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP C[N@H+]1CC[C@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001255413535 970136167 /nfs/dbraw/zinc/13/61/67/970136167.db2.gz XLEYYNOPRZDJRP-ZDUSSCGKSA-N 2 1 219.332 1.304 20 0 BDADMP C[N@H+]1CC[C@@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001255417734 970139126 /nfs/dbraw/zinc/13/91/26/970139126.db2.gz OVHVOHGAXQLWSG-GFCCVEGCSA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3c[nH+]ccc32)C1 ZINC001255422563 970146934 /nfs/dbraw/zinc/14/69/34/970146934.db2.gz ZNLPQGRDFQKICH-GFCCVEGCSA-N 2 1 244.342 1.414 20 0 BDADMP C[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3cnccc32)C1 ZINC001255422563 970146935 /nfs/dbraw/zinc/14/69/35/970146935.db2.gz ZNLPQGRDFQKICH-GFCCVEGCSA-N 2 1 244.342 1.414 20 0 BDADMP C[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3cnccc32)C1 ZINC001255422563 970146937 /nfs/dbraw/zinc/14/69/37/970146937.db2.gz ZNLPQGRDFQKICH-GFCCVEGCSA-N 2 1 244.342 1.414 20 0 BDADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C)C2)[C@H](C)C1 ZINC001255425461 970150734 /nfs/dbraw/zinc/15/07/34/970150734.db2.gz GNUDTNAFAOYPGH-MGPQQGTHSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001255425461 970150738 /nfs/dbraw/zinc/15/07/38/970150738.db2.gz GNUDTNAFAOYPGH-MGPQQGTHSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001255425461 970150741 /nfs/dbraw/zinc/15/07/41/970150741.db2.gz GNUDTNAFAOYPGH-MGPQQGTHSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001255425461 970150745 /nfs/dbraw/zinc/15/07/45/970150745.db2.gz GNUDTNAFAOYPGH-MGPQQGTHSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001255425461 970150752 /nfs/dbraw/zinc/15/07/52/970150752.db2.gz GNUDTNAFAOYPGH-MGPQQGTHSA-N 2 1 239.407 1.399 20 0 BDADMP CN1CC[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001255425695 970151179 /nfs/dbraw/zinc/15/11/79/970151179.db2.gz IQRLEZJYUMEBCZ-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP CC(C)N([C@@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC001255442097 970174525 /nfs/dbraw/zinc/17/45/25/970174525.db2.gz STETWJHJVZYUEQ-CQSZACIVSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)N([C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC001255442097 970174528 /nfs/dbraw/zinc/17/45/28/970174528.db2.gz STETWJHJVZYUEQ-CQSZACIVSA-N 2 1 239.407 1.495 20 0 BDADMP COC1CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001255463282 970192030 /nfs/dbraw/zinc/19/20/30/970192030.db2.gz KVTUDYJXIBCVOU-UHFFFAOYSA-N 2 1 249.358 1.699 20 0 BDADMP COC1CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001255463282 970192035 /nfs/dbraw/zinc/19/20/35/970192035.db2.gz KVTUDYJXIBCVOU-UHFFFAOYSA-N 2 1 249.358 1.699 20 0 BDADMP C[N@H+]1CCC[C@@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001255470382 970197220 /nfs/dbraw/zinc/19/72/20/970197220.db2.gz MZGQLZWUHXLMHL-GFCCVEGCSA-N 2 1 244.342 1.762 20 0 BDADMP CN1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001255470821 970199892 /nfs/dbraw/zinc/19/98/92/970199892.db2.gz RIZMHFZDXHNHPP-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH2+]Cc1cccc(N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001255490805 970240975 /nfs/dbraw/zinc/24/09/75/970240975.db2.gz YAXOCFMCURMDQC-CQSZACIVSA-N 2 1 233.359 1.912 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)COC ZINC001255557641 970335471 /nfs/dbraw/zinc/33/54/71/970335471.db2.gz YDVNXVIQQSAKMR-GFCCVEGCSA-N 2 1 216.369 1.733 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000690417072 970517755 /nfs/dbraw/zinc/51/77/55/970517755.db2.gz VVBGFWPGUSSILF-QWHCGFSZSA-N 2 1 226.364 1.474 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC001170169682 970542871 /nfs/dbraw/zinc/54/28/71/970542871.db2.gz OZEKCYFLCXXNNV-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP CCc1nc(N(C)C(C)(C)C[NH3+])cc(C)[nH+]1 ZINC000304284665 970574719 /nfs/dbraw/zinc/57/47/19/970574719.db2.gz FYQVVQXHWOTPJQ-UHFFFAOYSA-N 2 1 222.336 1.521 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400468711 970593973 /nfs/dbraw/zinc/59/39/73/970593973.db2.gz XAIICRCUICEIGE-SGMGOOAPSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400468711 970593986 /nfs/dbraw/zinc/59/39/86/970593986.db2.gz XAIICRCUICEIGE-SGMGOOAPSA-N 3 1 239.407 1.447 20 0 BDADMP CCN([C@H](C)CC[NH+](CC)CC)C1C[NH+](C)C1 ZINC001255971752 970609117 /nfs/dbraw/zinc/60/91/17/970609117.db2.gz KPNQHWHDQOJIRJ-CYBMUJFWSA-N 2 1 241.423 1.743 20 0 BDADMP CC(C)(CCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066956 970633269 /nfs/dbraw/zinc/63/32/69/970633269.db2.gz APYGQXBFVTWWMN-UHFFFAOYSA-N 2 1 226.364 1.364 20 0 BDADMP CC(C)(O)C(C)(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256072223 970637044 /nfs/dbraw/zinc/63/70/44/970637044.db2.gz LKKJORUDEKUKCJ-UHFFFAOYSA-N 2 1 240.391 1.752 20 0 BDADMP CCC1(CC[NH2+]C2CC[NH+](C)CC2)OCCO1 ZINC001256201463 970695672 /nfs/dbraw/zinc/69/56/72/970695672.db2.gz DOXWIGGBIROOLI-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP C[NH+]1CCC([NH2+]C2(c3ccc(N)cc3)CC2)CC1 ZINC001256202258 970696268 /nfs/dbraw/zinc/69/62/68/970696268.db2.gz SSBSLUAGFZLHOU-UHFFFAOYSA-N 2 1 245.370 1.942 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1C1CCN(C)CC1 ZINC001256202654 970701846 /nfs/dbraw/zinc/70/18/46/970701846.db2.gz KGIXFQKLSJICFW-ZJUUUORDSA-N 2 1 200.301 1.513 20 0 BDADMP CN1CCC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001256207939 970708030 /nfs/dbraw/zinc/70/80/30/970708030.db2.gz ZIEMMXHECLXSEX-CQSZACIVSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001256207939 970708045 /nfs/dbraw/zinc/70/80/45/970708045.db2.gz ZIEMMXHECLXSEX-CQSZACIVSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001256207939 970708051 /nfs/dbraw/zinc/70/80/51/970708051.db2.gz ZIEMMXHECLXSEX-CQSZACIVSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC1 ZINC001256208442 970712718 /nfs/dbraw/zinc/71/27/18/970712718.db2.gz JITCDATXOPBWGK-LVEBTZEWSA-N 2 1 236.359 1.190 20 0 BDADMP C[NH+]1CCC([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC1 ZINC001256208442 970712721 /nfs/dbraw/zinc/71/27/21/970712721.db2.gz JITCDATXOPBWGK-LVEBTZEWSA-N 2 1 236.359 1.190 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664828 970714888 /nfs/dbraw/zinc/71/48/88/970714888.db2.gz WRIYDOFOUIUCMQ-DGCLKSJQSA-N 2 1 248.374 1.719 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001256360677 970762188 /nfs/dbraw/zinc/76/21/88/970762188.db2.gz KLPOGQFOQBRCCQ-ZDUSSCGKSA-N 2 1 230.396 1.715 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2nccs2)CC1 ZINC001222531327 972547278 /nfs/dbraw/zinc/54/72/78/972547278.db2.gz AYBZXXMJZCUUBV-UHFFFAOYSA-N 2 1 229.324 1.406 20 0 BDADMP Cc1csc(C[NH+]2CCC(F)(C[NH3+])CC2)n1 ZINC001222532682 972552031 /nfs/dbraw/zinc/55/20/31/972552031.db2.gz ONXKCLHLCMMUQQ-UHFFFAOYSA-N 2 1 243.351 1.714 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2cc(F)ccn2)CC1 ZINC001222542485 972560553 /nfs/dbraw/zinc/56/05/53/972560553.db2.gz FVQDPFGGTHMJEO-UHFFFAOYSA-N 2 1 241.285 1.484 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545548 972634175 /nfs/dbraw/zinc/63/41/75/972634175.db2.gz BVEDIIXGIDYQHZ-MNOVXSKESA-N 2 1 218.316 1.174 20 0 BDADMP COC(=O)CC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246548331 972680922 /nfs/dbraw/zinc/68/09/22/972680922.db2.gz FXUDATRRRYWLJT-YPMHNXCESA-N 2 1 242.363 1.531 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246548428 972685837 /nfs/dbraw/zinc/68/58/37/972685837.db2.gz GMDVCNLXEQYXHL-MRFVTOPCSA-N 3 1 239.407 1.434 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001327710484 972710826 /nfs/dbraw/zinc/71/08/26/972710826.db2.gz GIGZFWGEWTXHGL-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001327710484 972710835 /nfs/dbraw/zinc/71/08/35/972710835.db2.gz GIGZFWGEWTXHGL-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001327710484 972710858 /nfs/dbraw/zinc/71/08/58/972710858.db2.gz GIGZFWGEWTXHGL-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](O)[C@@H](C)CC2)CC[NH2+]1 ZINC001246551913 972730389 /nfs/dbraw/zinc/73/03/89/972730389.db2.gz NVVWNFMKJMAQBY-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC001246554917 972754132 /nfs/dbraw/zinc/75/41/32/972754132.db2.gz CZQPCHQYXUMOJB-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556160 972763286 /nfs/dbraw/zinc/76/32/86/972763286.db2.gz YKIHAHFHOBAKJM-XQQFMLRXSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556160 972763299 /nfs/dbraw/zinc/76/32/99/972763299.db2.gz YKIHAHFHOBAKJM-XQQFMLRXSA-N 3 1 225.380 1.330 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568051 972822696 /nfs/dbraw/zinc/82/26/96/972822696.db2.gz PETZZKHFJHBSGM-OUAUKWLOSA-N 2 1 200.326 1.081 20 0 BDADMP CCOCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568051 972822697 /nfs/dbraw/zinc/82/26/97/972822697.db2.gz PETZZKHFJHBSGM-OUAUKWLOSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCSC2)CC1 ZINC001246577885 972893280 /nfs/dbraw/zinc/89/32/80/972893280.db2.gz QQTDZFMIVKABQH-NEPJUHHUSA-N 2 1 228.405 1.943 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CCSC2)CC1 ZINC001246577893 972895696 /nfs/dbraw/zinc/89/56/96/972895696.db2.gz QQTDZFMIVKABQH-NWDGAFQWSA-N 2 1 228.405 1.943 20 0 BDADMP C[N@@H+]1CCC[C@@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CC1 ZINC001246579613 972910245 /nfs/dbraw/zinc/91/02/45/972910245.db2.gz CKMYFRJNJRAQAF-MNOVXSKESA-N 2 1 247.333 1.139 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CC1 ZINC001246579613 972910253 /nfs/dbraw/zinc/91/02/53/972910253.db2.gz CKMYFRJNJRAQAF-MNOVXSKESA-N 2 1 247.333 1.139 20 0 BDADMP C[NH2+]CC[C@H](C)N1CCC2(CCC[NH2+]C2)CC1 ZINC001246611848 973032688 /nfs/dbraw/zinc/03/26/88/973032688.db2.gz CWGXMDYKZNWUNX-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CCCC[C@@H](CC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246623153 973040989 /nfs/dbraw/zinc/04/09/89/973040989.db2.gz JHAIWRUTLHUFAX-ZIAGYGMSSA-N 2 1 239.407 1.593 20 0 BDADMP C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246627911 973043787 /nfs/dbraw/zinc/04/37/87/973043787.db2.gz AWRPRQATZMDUOJ-XQLPTFJDSA-N 2 1 249.402 1.345 20 0 BDADMP C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246634984 973048834 /nfs/dbraw/zinc/04/88/34/973048834.db2.gz PNAYXLPNNQXTLN-HZSPNIEDSA-N 3 1 249.402 1.345 20 0 BDADMP CC[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668629 973074382 /nfs/dbraw/zinc/07/43/82/973074382.db2.gz ZVNYGVMBQLWPFF-ZOBORPQBSA-N 3 1 237.391 1.330 20 0 BDADMP CC[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668629 973074397 /nfs/dbraw/zinc/07/43/97/973074397.db2.gz ZVNYGVMBQLWPFF-ZOBORPQBSA-N 3 1 237.391 1.330 20 0 BDADMP C1C[C@]2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)O1 ZINC001246828701 973118288 /nfs/dbraw/zinc/11/82/88/973118288.db2.gz FXKQSGACSLEXBX-PIGZVRMJSA-N 2 1 236.359 1.524 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246854880 973174467 /nfs/dbraw/zinc/17/44/67/973174467.db2.gz REOXLGWWSJJIJP-YVECIDJPSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246866984 973229933 /nfs/dbraw/zinc/22/99/33/973229933.db2.gz LPYGZTLPUXUOJJ-WCQYABFASA-N 3 1 248.374 1.663 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCF)C1 ZINC001329375715 973714570 /nfs/dbraw/zinc/71/45/70/973714570.db2.gz NXZRWUSBBAJDEG-NSHDSACASA-N 2 1 202.317 1.653 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)CCOC(C)C ZINC001246980553 973727369 /nfs/dbraw/zinc/72/73/69/973727369.db2.gz JAEKKBOKEHDVRE-NEPJUHHUSA-N 2 1 216.369 1.859 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554454 974099603 /nfs/dbraw/zinc/09/96/03/974099603.db2.gz HQABXWHPJAEYAI-STQMWFEESA-N 2 1 249.358 1.363 20 0 BDADMP C[NH+](C)CCCCO[C@H]1CCc2[nH+]ccn2C1 ZINC001224991608 974124155 /nfs/dbraw/zinc/12/41/55/974124155.db2.gz XFTVQZIOKJAZML-LBPRGKRZSA-N 2 1 237.347 1.556 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171773304 974158974 /nfs/dbraw/zinc/15/89/74/974158974.db2.gz JETDJBQCUXGZDK-AAEUAGOBSA-N 2 1 248.345 1.834 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099459 974336635 /nfs/dbraw/zinc/33/66/35/974336635.db2.gz IAKYWOJILNKNLX-CLLJXQQHSA-N 2 1 248.374 1.525 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1C[NH3+])C2 ZINC001172100437 974346554 /nfs/dbraw/zinc/34/65/54/974346554.db2.gz QNSOTPVUECKHKF-ZSBIGDGJSA-N 2 1 234.347 1.530 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cnc(C[NH3+])c1)C2 ZINC001172099888 974347122 /nfs/dbraw/zinc/34/71/22/974347122.db2.gz NTEODASJHDDZML-ITGUQSILSA-N 2 1 234.347 1.530 20 0 BDADMP C[NH+]1CC2(CN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC001172132896 974357053 /nfs/dbraw/zinc/35/70/53/974357053.db2.gz PWKQNCIMJUODRV-BTTYYORXSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172132896 974357059 /nfs/dbraw/zinc/35/70/59/974357059.db2.gz PWKQNCIMJUODRV-BTTYYORXSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172132896 974357065 /nfs/dbraw/zinc/35/70/65/974357065.db2.gz PWKQNCIMJUODRV-BTTYYORXSA-N 2 1 249.402 1.249 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCn1cccn1)C2 ZINC001172102878 974359500 /nfs/dbraw/zinc/35/95/00/974359500.db2.gz QBNMEOSKTJLXDR-BTTYYORXSA-N 2 1 248.374 1.488 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]1F)C2 ZINC001172104562 974367331 /nfs/dbraw/zinc/36/73/31/974367331.db2.gz CWIXCPOVXOHMII-RMPHRYRLSA-N 2 1 212.312 1.702 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]1F)C2 ZINC001172104562 974367339 /nfs/dbraw/zinc/36/73/39/974367339.db2.gz CWIXCPOVXOHMII-RMPHRYRLSA-N 2 1 212.312 1.702 20 0 BDADMP CN([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH3+] ZINC001172107605 974368606 /nfs/dbraw/zinc/36/86/06/974368606.db2.gz FTJNVPDFWHUGOF-ITGUQSILSA-N 2 1 239.407 1.671 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)C2 ZINC001172108050 974369716 /nfs/dbraw/zinc/36/97/16/974369716.db2.gz OLXUUFVPSQGEGD-RVOPOGNISA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)C2 ZINC001172108050 974369719 /nfs/dbraw/zinc/36/97/19/974369719.db2.gz OLXUUFVPSQGEGD-RVOPOGNISA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120343 974378403 /nfs/dbraw/zinc/37/84/03/974378403.db2.gz JYZJSHBVXYCZBV-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120343 974378419 /nfs/dbraw/zinc/37/84/19/974378419.db2.gz JYZJSHBVXYCZBV-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172120343 974378428 /nfs/dbraw/zinc/37/84/28/974378428.db2.gz JYZJSHBVXYCZBV-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172120343 974378438 /nfs/dbraw/zinc/37/84/38/974378438.db2.gz JYZJSHBVXYCZBV-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC=CC1)C2 ZINC001172114716 974379939 /nfs/dbraw/zinc/37/99/39/974379939.db2.gz SLQMFSXQHFXLRR-ITGUQSILSA-N 2 1 206.333 1.874 20 0 BDADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120337 974380910 /nfs/dbraw/zinc/38/09/10/974380910.db2.gz JYZJSHBVXYCZBV-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120337 974380920 /nfs/dbraw/zinc/38/09/20/974380920.db2.gz JYZJSHBVXYCZBV-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172120337 974380932 /nfs/dbraw/zinc/38/09/32/974380932.db2.gz JYZJSHBVXYCZBV-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172120337 974380942 /nfs/dbraw/zinc/38/09/42/974380942.db2.gz JYZJSHBVXYCZBV-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C)(CO)C1)C2 ZINC001172120038 974385460 /nfs/dbraw/zinc/38/54/60/974385460.db2.gz JEKHNKAIZKKRNK-ITGUQSILSA-N 2 1 238.375 1.316 20 0 BDADMP CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172217642 974443599 /nfs/dbraw/zinc/44/35/99/974443599.db2.gz HNOJVQBECYBVSQ-AGUYFDCRSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235479 974496652 /nfs/dbraw/zinc/49/66/52/974496652.db2.gz BCDBSHGDEXYZMC-RKFYDKJMSA-N 2 1 236.359 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235479 974496659 /nfs/dbraw/zinc/49/66/59/974496659.db2.gz BCDBSHGDEXYZMC-RKFYDKJMSA-N 2 1 236.359 1.402 20 0 BDADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H]2C)CC1 ZINC001172252941 974512216 /nfs/dbraw/zinc/51/22/16/974512216.db2.gz XPTSHUOFJDEVMV-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H]2C)CC1 ZINC001172252941 974512226 /nfs/dbraw/zinc/51/22/26/974512226.db2.gz XPTSHUOFJDEVMV-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CCOCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172409869 974670929 /nfs/dbraw/zinc/67/09/29/974670929.db2.gz ALKCRLYXKFYOHK-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001172422759 974697342 /nfs/dbraw/zinc/69/73/42/974697342.db2.gz IHUHBBPEIGLIPG-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172422759 974697346 /nfs/dbraw/zinc/69/73/46/974697346.db2.gz IHUHBBPEIGLIPG-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206165554 974876066 /nfs/dbraw/zinc/87/60/66/974876066.db2.gz OANWUIQGHXVKNB-NEPJUHHUSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206165554 974876071 /nfs/dbraw/zinc/87/60/71/974876071.db2.gz OANWUIQGHXVKNB-NEPJUHHUSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206165557 974876756 /nfs/dbraw/zinc/87/67/56/974876756.db2.gz OANWUIQGHXVKNB-VXGBXAGGSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206165557 974876758 /nfs/dbraw/zinc/87/67/58/974876758.db2.gz OANWUIQGHXVKNB-VXGBXAGGSA-N 2 1 237.322 1.651 20 0 BDADMP [NH3+]CC[N@H+](CCO)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546077 974877574 /nfs/dbraw/zinc/87/75/74/974877574.db2.gz JIAOWOPICQTOCL-HUUCEWRRSA-N 2 1 248.370 1.576 20 0 BDADMP [NH3+]CC[N@@H+](CCO)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546077 974877577 /nfs/dbraw/zinc/87/75/77/974877577.db2.gz JIAOWOPICQTOCL-HUUCEWRRSA-N 2 1 248.370 1.576 20 0 BDADMP CC1(C)CC([NH2+][C@@H]2C[C@H]2[NH3+])CC(C)(C)O1 ZINC001172648846 974894956 /nfs/dbraw/zinc/89/49/56/974894956.db2.gz BPAJQEMODDNHNS-NXEZZACHSA-N 2 1 212.337 1.412 20 0 BDADMP CO[C@@H]1CCC[C@@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001172915824 974966269 /nfs/dbraw/zinc/96/62/69/974966269.db2.gz WYMCVWFRWTXZPL-ZYHUDNBSSA-N 2 1 223.320 1.514 20 0 BDADMP Nc1cc(O[C@@H]2CCc3[nH+]ccn3C2)cc[nH+]1 ZINC001226653372 974999243 /nfs/dbraw/zinc/99/92/43/974999243.db2.gz ILTOHHBUPJLREI-SNVBAGLBSA-N 2 1 230.271 1.254 20 0 BDADMP CC(C)(C)[NH+]1CC(Oc2cc[nH+]c(N)c2)C1 ZINC001226656993 975003632 /nfs/dbraw/zinc/00/36/32/975003632.db2.gz NMCJVAFEEQAQKQ-UHFFFAOYSA-N 2 1 221.304 1.525 20 0 BDADMP CC[C@@H]1CC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001173262726 975116871 /nfs/dbraw/zinc/11/68/71/975116871.db2.gz GKWSLGZZYTZCOI-IJLUTSLNSA-N 2 1 237.347 1.496 20 0 BDADMP CC[C@@H]1CC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001173262730 975117957 /nfs/dbraw/zinc/11/79/57/975117957.db2.gz GKWSLGZZYTZCOI-UTUOFQBUSA-N 2 1 237.347 1.496 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001173351670 975299552 /nfs/dbraw/zinc/29/95/52/975299552.db2.gz WHHXBUIQFINPEV-CQSZACIVSA-N 2 1 233.359 1.694 20 0 BDADMP CC[N@H+]1CC[C@H](N(C(C)C)C(C)(C)C[NH3+])C1 ZINC001173357637 975322501 /nfs/dbraw/zinc/32/25/01/975322501.db2.gz PYWYRUQYKSVYEM-LBPRGKRZSA-N 2 1 227.396 1.528 20 0 BDADMP CCC[NH+]1CCN([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001173366102 975342207 /nfs/dbraw/zinc/34/22/07/975342207.db2.gz WLKQDKNCVWPJFU-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001173370266 975358351 /nfs/dbraw/zinc/35/83/51/975358351.db2.gz GIJJTKQLFZRANN-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001173370266 975358355 /nfs/dbraw/zinc/35/83/55/975358355.db2.gz GIJJTKQLFZRANN-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC001173370266 975358359 /nfs/dbraw/zinc/35/83/59/975358359.db2.gz GIJJTKQLFZRANN-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP CC[N@H+]1CC[C@@H](N(CC[NH2+]C)C(C)(C)C)C1 ZINC001173374330 975364023 /nfs/dbraw/zinc/36/40/23/975364023.db2.gz KWDCNGJBVKEATN-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP [NH3+]CC1([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173477035 975384210 /nfs/dbraw/zinc/38/42/10/975384210.db2.gz DSTYZKOUWJVWJQ-UHFFFAOYSA-N 2 1 238.281 1.513 20 0 BDADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2(C[NH3+])CC2)C1 ZINC001173648789 975514256 /nfs/dbraw/zinc/51/42/56/975514256.db2.gz HGGGQURDVWNBHY-QWRGUYRKSA-N 2 1 240.347 1.189 20 0 BDADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC001173641979 975515794 /nfs/dbraw/zinc/51/57/94/975515794.db2.gz OKCVICXDSLXMJF-SDDRHHMPSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)C[C@H]1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)C1 ZINC001173641979 975515811 /nfs/dbraw/zinc/51/58/11/975515811.db2.gz OKCVICXDSLXMJF-SDDRHHMPSA-N 2 1 240.347 1.141 20 0 BDADMP CNc1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)nc[nH+]1 ZINC001333657803 975942675 /nfs/dbraw/zinc/94/26/75/975942675.db2.gz JBYPIBFFEYCARM-GHMZBOCLSA-N 2 1 249.362 1.803 20 0 BDADMP [NH3+]C[C@@H]1C[C@@H]1c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001334887718 976770285 /nfs/dbraw/zinc/77/02/85/976770285.db2.gz ZXIQPSGUUAYUKF-DCAQKATOSA-N 2 1 244.298 1.180 20 0 BDADMP [NH3+]C[C@@H]1C[C@@H]1c1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001334887719 976773226 /nfs/dbraw/zinc/77/32/26/976773226.db2.gz ZXIQPSGUUAYUKF-GARJFASQSA-N 2 1 244.298 1.180 20 0 BDADMP CC[NH+]1CC(Oc2ccc(CC[NH+](C)C)cc2)C1 ZINC001229658780 976936290 /nfs/dbraw/zinc/93/62/90/976936290.db2.gz ZIUXPFYXRHUNDJ-UHFFFAOYSA-N 2 1 248.370 1.874 20 0 BDADMP CSC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001335433196 977057248 /nfs/dbraw/zinc/05/72/48/977057248.db2.gz RWNLROOTPBGSLK-NEPJUHHUSA-N 2 1 246.420 1.032 20 0 BDADMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CC2)C12CCC2 ZINC001336051178 977460012 /nfs/dbraw/zinc/46/00/12/977460012.db2.gz NHDZLLOVCRIHIN-JHJVBQTASA-N 2 1 238.375 1.220 20 0 BDADMP COc1[nH+]ccc(N)c1Nc1ccc(C[NH3+])cc1 ZINC001175967298 977837009 /nfs/dbraw/zinc/83/70/09/977837009.db2.gz ZCRARLZKOQOBLR-UHFFFAOYSA-N 2 1 244.298 1.875 20 0 BDADMP OC1CC2(C1)C[NH+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232012107 977837440 /nfs/dbraw/zinc/83/74/40/977837440.db2.gz SOYQGPGIWJTVKO-UHFFFAOYSA-N 2 1 243.310 1.520 20 0 BDADMP COC[C@@H]1CC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018197 977843866 /nfs/dbraw/zinc/84/38/66/977843866.db2.gz GOPNDERQZPHUKK-LBPRGKRZSA-N 2 1 231.299 1.784 20 0 BDADMP COC[C@@H]1CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232018197 977843870 /nfs/dbraw/zinc/84/38/70/977843870.db2.gz GOPNDERQZPHUKK-LBPRGKRZSA-N 2 1 231.299 1.784 20 0 BDADMP COC(C[N@H+](C)Cc1cc2c[nH+]ccc2[nH]1)OC ZINC001232015640 977846169 /nfs/dbraw/zinc/84/61/69/977846169.db2.gz JQMUVHUUJOONHI-UHFFFAOYSA-N 2 1 249.314 1.614 20 0 BDADMP COC(C[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1)OC ZINC001232015640 977846174 /nfs/dbraw/zinc/84/61/74/977846174.db2.gz JQMUVHUUJOONHI-UHFFFAOYSA-N 2 1 249.314 1.614 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cnsc3)C2)CC1 ZINC001232229231 977958483 /nfs/dbraw/zinc/95/84/83/977958483.db2.gz HRFCGUNELUDUNL-UHFFFAOYSA-N 2 1 237.372 1.671 20 0 BDADMP C[NH+](C)Cc1ccc(Nc2c[nH+]ncc2N)cc1 ZINC001176290181 978015562 /nfs/dbraw/zinc/01/55/62/978015562.db2.gz AILQWLWPPFUWDS-UHFFFAOYSA-N 2 1 243.314 1.864 20 0 BDADMP Cc1nccc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)n1 ZINC001336874859 978019753 /nfs/dbraw/zinc/01/97/53/978019753.db2.gz YXPUVGNBMMTPEX-GRYCIOLGSA-N 2 1 232.331 1.537 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCNc1cc(N)ncn1 ZINC001337034590 978136317 /nfs/dbraw/zinc/13/63/17/978136317.db2.gz ZYBVZXJHTUNBOB-LLVKDONJSA-N 2 1 249.362 1.735 20 0 BDADMP CC[N@H+]1CC[C@@H](N(CC[NH3+])Cc2ccccc2)C1 ZINC000328195141 978201881 /nfs/dbraw/zinc/20/18/81/978201881.db2.gz QIRVUKBZRHJKBV-OAHLLOKOSA-N 2 1 247.386 1.542 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1 ZINC001277693414 978204205 /nfs/dbraw/zinc/20/42/05/978204205.db2.gz FOTODDVHNDWAPH-TXEJJXNPSA-N 2 1 203.289 1.364 20 0 BDADMP C[N@H+]1C[C@@H]2CCN(c3cc[nH+]cc3)[C@@H]2C1 ZINC001277693469 978204308 /nfs/dbraw/zinc/20/43/08/978204308.db2.gz IBCBMVYBAZORAD-CMPLNLGQSA-N 2 1 203.289 1.222 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@H]2CCC[NH+](C)C2)C1 ZINC000328202058 978204990 /nfs/dbraw/zinc/20/49/90/978204990.db2.gz SEEPTPOQGYXJDX-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000328202058 978204998 /nfs/dbraw/zinc/20/49/98/978204998.db2.gz SEEPTPOQGYXJDX-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000328202058 978205004 /nfs/dbraw/zinc/20/50/04/978205004.db2.gz SEEPTPOQGYXJDX-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000328202058 978205014 /nfs/dbraw/zinc/20/50/14/978205014.db2.gz SEEPTPOQGYXJDX-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000328202058 978205022 /nfs/dbraw/zinc/20/50/22/978205022.db2.gz SEEPTPOQGYXJDX-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)CCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001206285550 978217955 /nfs/dbraw/zinc/21/79/55/978217955.db2.gz DPTMXWLDSTXIAO-CLLJXQQHSA-N 2 1 226.364 1.580 20 0 BDADMP C[NH+](C)CCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001206285551 978220044 /nfs/dbraw/zinc/22/00/44/978220044.db2.gz DPTMXWLDSTXIAO-ITGUQSILSA-N 2 1 226.364 1.580 20 0 BDADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206292546 978281129 /nfs/dbraw/zinc/28/11/29/978281129.db2.gz CXBYQTQTKJOCRW-WCQYABFASA-N 2 1 242.363 1.246 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000690455927 978288376 /nfs/dbraw/zinc/28/83/76/978288376.db2.gz YILJHWZIRSRSHU-VXGBXAGGSA-N 2 1 212.337 1.084 20 0 BDADMP Cc1cc(O)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC001232886673 978324524 /nfs/dbraw/zinc/32/45/24/978324524.db2.gz URLNSSDVHLVEKH-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP Cc1cc(O)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC001232886673 978324533 /nfs/dbraw/zinc/32/45/33/978324533.db2.gz URLNSSDVHLVEKH-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP Cc1cc(O)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001232886673 978324547 /nfs/dbraw/zinc/32/45/47/978324547.db2.gz URLNSSDVHLVEKH-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP Cc1cc(O)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001232886673 978324556 /nfs/dbraw/zinc/32/45/56/978324556.db2.gz URLNSSDVHLVEKH-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc(N)nc2)CC1 ZINC001206303130 978347443 /nfs/dbraw/zinc/34/74/43/978347443.db2.gz BMDIEVBZWMPHDM-ZDUSSCGKSA-N 2 1 249.362 1.010 20 0 BDADMP OCc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC001337804440 978504260 /nfs/dbraw/zinc/50/42/60/978504260.db2.gz DIBKUZNWBVDHKH-ZIAGYGMSSA-N 2 1 247.342 1.613 20 0 BDADMP Cc1cc(F)cc(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC001337810585 978508426 /nfs/dbraw/zinc/50/84/26/978508426.db2.gz ZNLGNVXJZFGACP-LBPRGKRZSA-N 2 1 241.310 1.254 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000069863051 978765400 /nfs/dbraw/zinc/76/54/00/978765400.db2.gz RGZUYSPEHSGQBW-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP CCOCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277856500 978835498 /nfs/dbraw/zinc/83/54/98/978835498.db2.gz OWGHPOAESHNGCD-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CCOCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277856500 978835500 /nfs/dbraw/zinc/83/55/00/978835500.db2.gz OWGHPOAESHNGCD-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CCOCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277856500 978835505 /nfs/dbraw/zinc/83/55/05/978835505.db2.gz OWGHPOAESHNGCD-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+]1C[C@@H]2CN(Cc3[nH]c(C)[nH+]c3C)C[C@H]2C1 ZINC001234662622 978894638 /nfs/dbraw/zinc/89/46/38/978894638.db2.gz NEWXBRQPSBLQEQ-CHWSQXEVSA-N 2 1 248.374 1.410 20 0 BDADMP CCCCCCN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234981542 978942646 /nfs/dbraw/zinc/94/26/46/978942646.db2.gz NYYMNDPEIWUODQ-CYBMUJFWSA-N 2 1 225.380 1.204 20 0 BDADMP OCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994263 978945429 /nfs/dbraw/zinc/94/54/29/978945429.db2.gz RGDVBSOQXGOYMA-CYBMUJFWSA-N 2 1 226.364 1.225 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]cc3)[C@@H]2C1 ZINC001339998989 978953170 /nfs/dbraw/zinc/95/31/70/978953170.db2.gz LMFBIVUGTJSHAC-UHTWSYAYSA-N 2 1 217.316 1.256 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](Nc3ccccn3)[C@@H]2C1 ZINC001340000001 978954967 /nfs/dbraw/zinc/95/49/67/978954967.db2.gz QZQDOGVFCHIOST-TUAOUCFPSA-N 2 1 217.316 1.834 20 0 BDADMP c1[nH+]c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c2ccccn12 ZINC001235045936 978963130 /nfs/dbraw/zinc/96/31/30/978963130.db2.gz XSSFAOLUUJFANM-SMDDNHRTSA-N 2 1 242.326 1.271 20 0 BDADMP c1[nH+]c(CN2CC[C@H]3[NH2+]CC[C@H]32)c2ccccn12 ZINC001235076348 978971712 /nfs/dbraw/zinc/97/17/12/978971712.db2.gz XSSFAOLUUJFANM-BXUZGUMPSA-N 2 1 242.326 1.271 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235122686 978979731 /nfs/dbraw/zinc/97/97/31/978979731.db2.gz HVAIZAPUWPWMTD-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235122686 978979734 /nfs/dbraw/zinc/97/97/34/978979734.db2.gz HVAIZAPUWPWMTD-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP OCCCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235139954 978981788 /nfs/dbraw/zinc/98/17/88/978981788.db2.gz FNDPPUVUHKOVMI-UHFFFAOYSA-N 2 1 226.364 1.367 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3CCC[C@H]3C2)O1 ZINC001235223982 978998376 /nfs/dbraw/zinc/99/83/76/978998376.db2.gz JCSPDJDCQPZTJP-AGIUHOORSA-N 2 1 238.375 1.833 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3CCC[C@H]3C2)O1 ZINC001235223982 978998380 /nfs/dbraw/zinc/99/83/80/978998380.db2.gz JCSPDJDCQPZTJP-AGIUHOORSA-N 2 1 238.375 1.833 20 0 BDADMP [NH3+]CCCC[N@@H+]1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001235219352 978999777 /nfs/dbraw/zinc/99/97/77/978999777.db2.gz ZOJNBVYJVUGHBS-LSDHHAIUSA-N 2 1 245.370 1.297 20 0 BDADMP [NH3+]CCCCN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235219352 978999782 /nfs/dbraw/zinc/99/97/82/978999782.db2.gz ZOJNBVYJVUGHBS-LSDHHAIUSA-N 2 1 245.370 1.297 20 0 BDADMP CC1(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]CC1 ZINC001235241371 979002899 /nfs/dbraw/zinc/00/28/99/979002899.db2.gz SQCVTAGNADZLEN-TZMCWYRMSA-N 2 1 237.391 1.189 20 0 BDADMP CC1(C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)CC[NH2+]CC1 ZINC001235241371 979002904 /nfs/dbraw/zinc/00/29/04/979002904.db2.gz SQCVTAGNADZLEN-TZMCWYRMSA-N 2 1 237.391 1.189 20 0 BDADMP CC1(C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)CC[NH2+]CC1 ZINC001235241371 979002911 /nfs/dbraw/zinc/00/29/11/979002911.db2.gz SQCVTAGNADZLEN-TZMCWYRMSA-N 2 1 237.391 1.189 20 0 BDADMP OCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400441 979035511 /nfs/dbraw/zinc/03/55/11/979035511.db2.gz CZEYOMUXEVVLRL-CHWSQXEVSA-N 2 1 244.354 1.173 20 0 BDADMP OCCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235677296 979120994 /nfs/dbraw/zinc/12/09/94/979120994.db2.gz GHCALWIOYMDNSS-CQSZACIVSA-N 2 1 240.391 1.709 20 0 BDADMP CC1(C[N@H+]2CCCC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235710619 979128226 /nfs/dbraw/zinc/12/82/26/979128226.db2.gz CIYLGFJKYBOULO-UHFFFAOYSA-N 3 1 237.391 1.062 20 0 BDADMP CC[C@@H]([NH3+])C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235713839 979128949 /nfs/dbraw/zinc/12/89/49/979128949.db2.gz HQJXQLOGTZUJMF-GFCCVEGCSA-N 3 1 213.369 1.045 20 0 BDADMP CC[C@@H]([NH3+])CN(C)CCC1CC[NH2+]CC1 ZINC001235713839 979128955 /nfs/dbraw/zinc/12/89/55/979128955.db2.gz HQJXQLOGTZUJMF-GFCCVEGCSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@@H](N)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235713839 979128962 /nfs/dbraw/zinc/12/89/62/979128962.db2.gz HQJXQLOGTZUJMF-GFCCVEGCSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@@H](N)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235713839 979128968 /nfs/dbraw/zinc/12/89/68/979128968.db2.gz HQJXQLOGTZUJMF-GFCCVEGCSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@@H]([NH3+])C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703003 979129962 /nfs/dbraw/zinc/12/99/62/979129962.db2.gz ZZXSWPLBAQHQQX-CQSZACIVSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1nc([C@H]2CCCC[N@@H+]2CCCC[NH3+])no1 ZINC001235748902 979141671 /nfs/dbraw/zinc/14/16/71/979141671.db2.gz FFVNZPOWQZNFNC-LLVKDONJSA-N 2 1 238.335 1.644 20 0 BDADMP Cc1nc([C@H]2CCCC[N@H+]2CCCC[NH3+])no1 ZINC001235748902 979141673 /nfs/dbraw/zinc/14/16/73/979141673.db2.gz FFVNZPOWQZNFNC-LLVKDONJSA-N 2 1 238.335 1.644 20 0 BDADMP C[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H](C)C1 ZINC001235820240 979156479 /nfs/dbraw/zinc/15/64/79/979156479.db2.gz LEGDZKUKTZTKFM-SRVKXCTJSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H](C)C1 ZINC001235820240 979156494 /nfs/dbraw/zinc/15/64/94/979156494.db2.gz LEGDZKUKTZTKFM-SRVKXCTJSA-N 2 1 226.364 1.831 20 0 BDADMP CC[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884348 979179852 /nfs/dbraw/zinc/17/98/52/979179852.db2.gz ZXMSSAITBLKCID-CHWSQXEVSA-N 3 1 225.380 1.188 20 0 BDADMP CC[C@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884354 979181512 /nfs/dbraw/zinc/18/15/12/979181512.db2.gz ZXMSSAITBLKCID-QWHCGFSZSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCO ZINC001235973949 979242944 /nfs/dbraw/zinc/24/29/44/979242944.db2.gz QITPYDRMDQSLPL-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCO ZINC001235973949 979242957 /nfs/dbraw/zinc/24/29/57/979242957.db2.gz QITPYDRMDQSLPL-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCO ZINC001235973949 979242965 /nfs/dbraw/zinc/24/29/65/979242965.db2.gz QITPYDRMDQSLPL-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]([NH3+])CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001235972939 979244322 /nfs/dbraw/zinc/24/43/22/979244322.db2.gz ISJPKKPXMWZVBZ-RDBSUJKOSA-N 2 1 239.407 1.672 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1cccnc1)C2 ZINC001235977275 979244362 /nfs/dbraw/zinc/24/43/62/979244362.db2.gz FZRVTKFCGOSMNG-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1cccnc1)C2 ZINC001235977275 979244376 /nfs/dbraw/zinc/24/43/76/979244376.db2.gz FZRVTKFCGOSMNG-KGLIPLIRSA-N 2 1 231.343 1.437 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235980005 979249575 /nfs/dbraw/zinc/24/95/75/979249575.db2.gz PNOZZCGBCVJBNT-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001235981824 979258709 /nfs/dbraw/zinc/25/87/09/979258709.db2.gz XSJIHKYGKLXMJI-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@]12CC[C@H]1CN(Cc1[nH+]cc3ccccn31)C2 ZINC001235982928 979265657 /nfs/dbraw/zinc/26/56/57/979265657.db2.gz XVOGGXFPSBWJKD-FZMZJTMJSA-N 2 1 242.326 1.257 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc3c1CCN3)C2 ZINC001235996366 979291228 /nfs/dbraw/zinc/29/12/28/979291228.db2.gz XHSLSAGDRSZMDR-IUODEOHRSA-N 2 1 243.354 1.578 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3c1CCN3)C2 ZINC001235996366 979291238 /nfs/dbraw/zinc/29/12/38/979291238.db2.gz XHSLSAGDRSZMDR-IUODEOHRSA-N 2 1 243.354 1.578 20 0 BDADMP [NH3+]CCCC[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236008888 979296714 /nfs/dbraw/zinc/29/67/14/979296714.db2.gz NDMWKNRHXIOPLS-XHNCKOQMSA-N 2 1 238.253 1.129 20 0 BDADMP [NH3+]CCCC[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236008888 979296731 /nfs/dbraw/zinc/29/67/31/979296731.db2.gz NDMWKNRHXIOPLS-XHNCKOQMSA-N 2 1 238.253 1.129 20 0 BDADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001236059802 979346640 /nfs/dbraw/zinc/34/66/40/979346640.db2.gz LHWBZNAYDCGTIS-IHRRRGAJSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001236059802 979346658 /nfs/dbraw/zinc/34/66/58/979346658.db2.gz LHWBZNAYDCGTIS-IHRRRGAJSA-N 3 1 237.391 1.060 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CC3CCC(CC3)C2)O1 ZINC001236088750 979375238 /nfs/dbraw/zinc/37/52/38/979375238.db2.gz IQGBMBPQSWUZIN-BPCQOVAHSA-N 2 1 238.375 1.833 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC001236095636 979384404 /nfs/dbraw/zinc/38/44/04/979384404.db2.gz XYJPQJJXLZFQGJ-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC001236095636 979384412 /nfs/dbraw/zinc/38/44/12/979384412.db2.gz XYJPQJJXLZFQGJ-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP CCc1ccccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474502 979386333 /nfs/dbraw/zinc/38/63/33/979386333.db2.gz CHZREQSRULGTON-UONOGXRCSA-N 2 1 234.343 1.000 20 0 BDADMP CCCC[C@@H]1C[N@H+](CCCCC[NH3+])CCN1 ZINC001236134818 979404303 /nfs/dbraw/zinc/40/43/03/979404303.db2.gz HGCVYRYCCJPMRY-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP CCCC[C@@H]1C[N@@H+](CCCCC[NH3+])CCN1 ZINC001236134818 979404312 /nfs/dbraw/zinc/40/43/12/979404312.db2.gz HGCVYRYCCJPMRY-CYBMUJFWSA-N 2 1 227.396 1.579 20 0 BDADMP C[N@H+](Cc1cccc(N)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216901 979454969 /nfs/dbraw/zinc/45/49/69/979454969.db2.gz MBURJDBZIBZRHD-KGLIPLIRSA-N 2 1 233.359 1.971 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216901 979454978 /nfs/dbraw/zinc/45/49/78/979454978.db2.gz MBURJDBZIBZRHD-KGLIPLIRSA-N 2 1 233.359 1.971 20 0 BDADMP NC[C@H]1CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236245887 979466587 /nfs/dbraw/zinc/46/65/87/979466587.db2.gz WDBQVXOSZSHVIN-CYBMUJFWSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236245887 979466592 /nfs/dbraw/zinc/46/65/92/979466592.db2.gz WDBQVXOSZSHVIN-CYBMUJFWSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236245887 979466597 /nfs/dbraw/zinc/46/65/97/979466597.db2.gz WDBQVXOSZSHVIN-CYBMUJFWSA-N 3 1 237.391 1.189 20 0 BDADMP CC[N@@H+](CCCCCO)CCn1ccnc1 ZINC001236274584 979481140 /nfs/dbraw/zinc/48/11/40/979481140.db2.gz GUQUKUXLGBVFOI-UHFFFAOYSA-N 2 1 225.336 1.368 20 0 BDADMP CCN(C[C@H]([NH3+])Cc1ccccc1)C1C[NH+](C)C1 ZINC001236281087 979484783 /nfs/dbraw/zinc/48/47/83/979484783.db2.gz YNKPELUWFRQQRE-CQSZACIVSA-N 2 1 247.386 1.192 20 0 BDADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001182308210 979494309 /nfs/dbraw/zinc/49/43/09/979494309.db2.gz HCZHSQAGLLEUHH-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001182308210 979494312 /nfs/dbraw/zinc/49/43/12/979494312.db2.gz HCZHSQAGLLEUHH-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236314667 979524167 /nfs/dbraw/zinc/52/41/67/979524167.db2.gz RMEMHEVZWJQKPC-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236315661 979527687 /nfs/dbraw/zinc/52/76/87/979527687.db2.gz MIOUIEZDFKKFBF-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP CCn1ccnc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317336 979528500 /nfs/dbraw/zinc/52/85/00/979528500.db2.gz VTRNYWLRUHANHH-BETUJISGSA-N 2 1 248.374 1.334 20 0 BDADMP Fc1ncccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317474 979533505 /nfs/dbraw/zinc/53/35/05/979533505.db2.gz YARSVIXWCGZDHV-TXEJJXNPSA-N 2 1 249.333 1.652 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236414114 979587828 /nfs/dbraw/zinc/58/78/28/979587828.db2.gz JSOYFHZBKPLADY-AAEUAGOBSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CCCN1CCC1CC[NH2+]CC1 ZINC001236414114 979587833 /nfs/dbraw/zinc/58/78/33/979587833.db2.gz JSOYFHZBKPLADY-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@@H](N)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236414114 979587839 /nfs/dbraw/zinc/58/78/39/979587839.db2.gz JSOYFHZBKPLADY-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@@H](N)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236414114 979587847 /nfs/dbraw/zinc/58/78/47/979587847.db2.gz JSOYFHZBKPLADY-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236416700 979590144 /nfs/dbraw/zinc/59/01/44/979590144.db2.gz VVHIJUOUHWISHR-FRRDWIJNSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC001236416700 979590149 /nfs/dbraw/zinc/59/01/49/979590149.db2.gz VVHIJUOUHWISHR-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H](N)CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236416700 979590157 /nfs/dbraw/zinc/59/01/57/979590157.db2.gz VVHIJUOUHWISHR-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H](N)CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001236416700 979590167 /nfs/dbraw/zinc/59/01/67/979590167.db2.gz VVHIJUOUHWISHR-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@@H](N)CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001236416336 979592145 /nfs/dbraw/zinc/59/21/45/979592145.db2.gz SUTBFJIHUSZERL-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@@H](N)CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001236416336 979592158 /nfs/dbraw/zinc/59/21/58/979592158.db2.gz SUTBFJIHUSZERL-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP CCC1(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)COC1 ZINC001206540462 979620185 /nfs/dbraw/zinc/62/01/85/979620185.db2.gz BROFCVAJZALSJR-ZDUSSCGKSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@H](N)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539973 979627792 /nfs/dbraw/zinc/62/77/92/979627792.db2.gz DSUWUTNWACNAFZ-UBHSHLNASA-N 2 1 239.407 1.706 20 0 BDADMP CC[C@@H](N)C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571410 979638566 /nfs/dbraw/zinc/63/85/66/979638566.db2.gz CIMRDUXTOQQLLL-YRGRVCCFSA-N 2 1 239.407 1.848 20 0 BDADMP C[C@H](CO)C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277994660 979688349 /nfs/dbraw/zinc/68/83/49/979688349.db2.gz PZCBSABYOLBOQD-ZDUSSCGKSA-N 2 1 240.391 1.423 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)[nH]n1 ZINC001205255040 979734324 /nfs/dbraw/zinc/73/43/24/979734324.db2.gz FGOMBJJZSSMUEP-LBPRGKRZSA-N 2 1 222.336 1.421 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)[nH]n1 ZINC001205255040 979734338 /nfs/dbraw/zinc/73/43/38/979734338.db2.gz FGOMBJJZSSMUEP-LBPRGKRZSA-N 2 1 222.336 1.421 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2n[nH]cc21 ZINC001236870328 979778770 /nfs/dbraw/zinc/77/87/70/979778770.db2.gz QGIADRKQKMSQCP-NSHDSACASA-N 2 1 232.331 1.732 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2n[nH]cc21 ZINC001236870328 979778783 /nfs/dbraw/zinc/77/87/83/979778783.db2.gz QGIADRKQKMSQCP-NSHDSACASA-N 2 1 232.331 1.732 20 0 BDADMP CC(C)[N@@H+](CCCC[NH3+])C1CCOCC1 ZINC001237014767 979804197 /nfs/dbraw/zinc/80/41/97/979804197.db2.gz GZHCJOBBSXGGOR-UHFFFAOYSA-N 2 1 214.353 1.615 20 0 BDADMP CNc1ncccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264719 979810685 /nfs/dbraw/zinc/81/06/85/979810685.db2.gz LAJDKYFHHLQQIT-AWEZNQCLSA-N 2 1 248.374 1.827 20 0 BDADMP Cn1nccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205266271 979819477 /nfs/dbraw/zinc/81/94/77/979819477.db2.gz SOWOTVCLQRGCNS-LBPRGKRZSA-N 2 1 222.336 1.123 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205266271 979819479 /nfs/dbraw/zinc/81/94/79/979819479.db2.gz SOWOTVCLQRGCNS-LBPRGKRZSA-N 2 1 222.336 1.123 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001237221883 979850801 /nfs/dbraw/zinc/85/08/01/979850801.db2.gz YLCZKNNAWVAHHF-AWEZNQCLSA-N 2 1 237.391 1.847 20 0 BDADMP COCOCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382685 979876638 /nfs/dbraw/zinc/87/66/38/979876638.db2.gz MQLUFTOJYLTRSW-STQMWFEESA-N 2 1 242.363 1.071 20 0 BDADMP COCOCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382685 979876644 /nfs/dbraw/zinc/87/66/44/979876644.db2.gz MQLUFTOJYLTRSW-STQMWFEESA-N 2 1 242.363 1.071 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237376076 979879372 /nfs/dbraw/zinc/87/93/72/979879372.db2.gz OPGQHGWMTMTZAU-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP c1cnn(CCC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237385008 979883527 /nfs/dbraw/zinc/88/35/27/979883527.db2.gz ZDGYINNDRCYULW-ZIAGYGMSSA-N 2 1 248.374 1.347 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)[nH]1 ZINC001205288751 979924844 /nfs/dbraw/zinc/92/48/44/979924844.db2.gz OBAFBZSQHUCFHY-ZDUSSCGKSA-N 2 1 236.363 1.730 20 0 BDADMP CCC[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)OC ZINC001184066063 979929638 /nfs/dbraw/zinc/92/96/38/979929638.db2.gz KOJHDTFSLNOKFP-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP CCN(C)[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001184440727 980071494 /nfs/dbraw/zinc/07/14/94/980071494.db2.gz UPMRBICWBGMSFM-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+](C)[C@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC001184440727 980071500 /nfs/dbraw/zinc/07/15/00/980071500.db2.gz UPMRBICWBGMSFM-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(CC2CC[NH+](C)CC2)C1 ZINC001184440727 980071512 /nfs/dbraw/zinc/07/15/12/980071512.db2.gz UPMRBICWBGMSFM-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP OC[C@@H]1CCCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102711 980150449 /nfs/dbraw/zinc/15/04/49/980150449.db2.gz HJXCVBUGMAOORP-AWEZNQCLSA-N 2 1 245.326 1.681 20 0 BDADMP OC[C@@H]1CCCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102711 980150454 /nfs/dbraw/zinc/15/04/54/980150454.db2.gz HJXCVBUGMAOORP-AWEZNQCLSA-N 2 1 245.326 1.681 20 0 BDADMP CCO[C@@H]1CC[N@@H+](Cc2cccc3cncn32)C1 ZINC001238105075 980157097 /nfs/dbraw/zinc/15/70/97/980157097.db2.gz BUPMXJLEZKCXEK-CQSZACIVSA-N 2 1 245.326 1.945 20 0 BDADMP Cc1[nH+]c(N)ccc1C1=CCC[NH2+]CC1 ZINC001238945792 980382966 /nfs/dbraw/zinc/38/29/66/980382966.db2.gz FFRWDKCLEKXUQL-UHFFFAOYSA-N 2 1 203.289 1.739 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OC)c1F ZINC001345099699 980546687 /nfs/dbraw/zinc/54/66/87/980546687.db2.gz KCZSNKFNXYYLCB-JTQLQIEISA-N 2 1 240.322 1.779 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001345103460 980551066 /nfs/dbraw/zinc/55/10/66/980551066.db2.gz FSOAZOPXTHCMPD-SYQHCUMBSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001345103428 980551270 /nfs/dbraw/zinc/55/12/70/980551270.db2.gz DXTVIATVIOLSAU-LLVKDONJSA-N 2 1 244.342 1.524 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@@](C)(O)C2)[nH]1 ZINC001203236944 981003593 /nfs/dbraw/zinc/00/35/93/981003593.db2.gz UESJYPPNBQCQLD-GFCCVEGCSA-N 2 1 223.320 1.237 20 0 BDADMP CCC1(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)COC1 ZINC001205601322 981159395 /nfs/dbraw/zinc/15/93/95/981159395.db2.gz DKIXKXKCEVDXQU-QWHCGFSZSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC001205602747 981168029 /nfs/dbraw/zinc/16/80/29/981168029.db2.gz MAWCNLWGTBZDQY-NWDGAFQWSA-N 2 1 236.363 1.227 20 0 BDADMP Cc1cc(C=C2CC[NH2+]CC2)c[nH+]c1N ZINC001240877591 981927964 /nfs/dbraw/zinc/92/79/64/981927964.db2.gz ZZKXMWKXIXBCON-UHFFFAOYSA-N 2 1 203.289 1.739 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)O1 ZINC001196781676 982494813 /nfs/dbraw/zinc/49/48/13/982494813.db2.gz FZHWFNXGFMGCER-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)O1 ZINC001196781676 982494816 /nfs/dbraw/zinc/49/48/16/982494816.db2.gz FZHWFNXGFMGCER-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)O1 ZINC001196781676 982494820 /nfs/dbraw/zinc/49/48/20/982494820.db2.gz FZHWFNXGFMGCER-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP Cc1c(N)cc[nH+]c1C1=CCC[N@@H+](C)C1 ZINC001241565227 982806240 /nfs/dbraw/zinc/80/62/40/982806240.db2.gz IBGKVSHBURBVBN-UHFFFAOYSA-N 2 1 203.289 1.691 20 0 BDADMP Cc1c(N)cc[nH+]c1C1=CCC[N@H+](C)C1 ZINC001241565227 982806241 /nfs/dbraw/zinc/80/62/41/982806241.db2.gz IBGKVSHBURBVBN-UHFFFAOYSA-N 2 1 203.289 1.691 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3)C[C@@H]21 ZINC001354029100 983117038 /nfs/dbraw/zinc/11/70/38/983117038.db2.gz NAHSALFMPALLJN-PWSUYJOCSA-N 2 1 203.289 1.222 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2nccnc2C[NH3+])C1 ZINC001354217867 983201027 /nfs/dbraw/zinc/20/10/27/983201027.db2.gz YCPWSKGUYRJHDX-NSHDSACASA-N 2 1 249.362 1.079 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001201576490 983342029 /nfs/dbraw/zinc/34/20/29/983342029.db2.gz YSLKVGWSWAELFI-BETUJISGSA-N 2 1 231.343 1.465 20 0 BDADMP CSCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201696752 983406534 /nfs/dbraw/zinc/40/65/34/983406534.db2.gz QMDGOPJALFEMKP-VXGBXAGGSA-N 2 1 228.405 1.623 20 0 BDADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)C1CC1 ZINC001356531187 983622589 /nfs/dbraw/zinc/62/25/89/983622589.db2.gz CNSJLOSJDWARCE-LBPRGKRZSA-N 2 1 237.347 1.367 20 0 BDADMP C[C@@H](CC[NH2+]CC(C)(C)C[NH3+])[NH+]1CCCCC1 ZINC001575968308 984148259 /nfs/dbraw/zinc/14/82/59/984148259.db2.gz WNVJOYKUWSXRKG-ZDUSSCGKSA-N 3 1 241.423 1.825 20 0 BDADMP COCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981047 984174394 /nfs/dbraw/zinc/17/43/94/984174394.db2.gz BEYBJJXUCGXWQK-RYUDHWBXSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576271074 984167286 /nfs/dbraw/zinc/16/72/86/984167286.db2.gz BWHSOZKDHUMHIP-NDBYEHHHSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576272363 984167447 /nfs/dbraw/zinc/16/74/47/984167447.db2.gz LYDHRFYQWQZHNU-RVMXOQNASA-N 2 1 226.364 1.349 20 0 BDADMP CC[C@](C)(C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2)OC ZINC001576950049 984183845 /nfs/dbraw/zinc/18/38/45/984183845.db2.gz YYVIFOYNWRSFNW-XQQFMLRXSA-N 2 1 226.364 1.676 20 0 BDADMP CC[C@](C)(C[NH2+][C@]12CCC[C@H]1[NH2+]CC2)OC ZINC001576950048 984184777 /nfs/dbraw/zinc/18/47/77/984184777.db2.gz YYVIFOYNWRSFNW-UPJWGTAASA-N 2 1 226.364 1.676 20 0 BDADMP CCCC[C@](C)(CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001577388099 984196847 /nfs/dbraw/zinc/19/68/47/984196847.db2.gz HJWBENAUQRQFGD-OTTFEQOBSA-N 2 1 226.364 1.269 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001578954553 984235112 /nfs/dbraw/zinc/23/51/12/984235112.db2.gz ACSSCKUCKPQTSQ-QMMMGPOBSA-N 2 1 242.285 1.528 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+]Cc1c(C)cccc1C ZINC001579004034 984246453 /nfs/dbraw/zinc/24/64/53/984246453.db2.gz OJKWQQVQIQBUDE-ZDUSSCGKSA-N 2 1 236.359 1.757 20 0 BDADMP C[C@H]([NH2+]C[C@](C)(O)C[NH3+])c1ccc(F)c(F)c1 ZINC001579485904 984281019 /nfs/dbraw/zinc/28/10/19/984281019.db2.gz XKEVUDPUEHKPRH-QPUJVOFHSA-N 2 1 244.285 1.325 20 0 BDADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001275044992 984445029 /nfs/dbraw/zinc/44/50/29/984445029.db2.gz IYTJBXNTHAGXSJ-UHFFFAOYSA-N 2 1 242.363 1.025 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC001577713285 984650526 /nfs/dbraw/zinc/65/05/26/984650526.db2.gz WCSDVYGIFAICMT-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP CC[N@H+](CCSC)C[C@@H]([NH3+])CCOC ZINC001577728838 984684159 /nfs/dbraw/zinc/68/41/59/984684159.db2.gz SGDJQTGWUXAVGO-JTQLQIEISA-N 2 1 220.382 1.035 20 0 BDADMP CC[N@@H+](CCSC)C[C@@H]([NH3+])CCOC ZINC001577728838 984684205 /nfs/dbraw/zinc/68/42/05/984684205.db2.gz SGDJQTGWUXAVGO-JTQLQIEISA-N 2 1 220.382 1.035 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccnnc1)CC2 ZINC001275882429 984714388 /nfs/dbraw/zinc/71/43/88/984714388.db2.gz OLWBKJITMIGLMI-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP CC[N@H+]1CCC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC001577770978 984775577 /nfs/dbraw/zinc/77/55/77/984775577.db2.gz QTFLOYCWEHYBGC-GFCCVEGCSA-N 2 1 225.380 1.332 20 0 BDADMP CCN1CCC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC001577770978 984775594 /nfs/dbraw/zinc/77/55/94/984775594.db2.gz QTFLOYCWEHYBGC-GFCCVEGCSA-N 2 1 225.380 1.332 20 0 BDADMP C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH]c2cc[nH+]cc12 ZINC001276129877 984818355 /nfs/dbraw/zinc/81/83/55/984818355.db2.gz VPLSJUDOICCHLZ-TXEJJXNPSA-N 2 1 242.326 1.451 20 0 BDADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH]c2cc[nH+]cc12 ZINC001276129877 984818358 /nfs/dbraw/zinc/81/83/58/984818358.db2.gz VPLSJUDOICCHLZ-TXEJJXNPSA-N 2 1 242.326 1.451 20 0 BDADMP Cc1nc[nH]c1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276206235 984829114 /nfs/dbraw/zinc/82/91/14/984829114.db2.gz HNQDTCWUGBMPMU-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP CCOC(C[NH2+][C@H](C[NH3+])C1CCCC1)OCC ZINC001578074956 984839770 /nfs/dbraw/zinc/83/97/70/984839770.db2.gz BZIPGBZJPLCPOR-GFCCVEGCSA-N 2 1 244.379 1.493 20 0 BDADMP CCOC1CC(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001578084429 984843319 /nfs/dbraw/zinc/84/33/19/984843319.db2.gz LLHAZCLZEWWCSI-CQLXCSJHSA-N 2 1 226.364 1.328 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001578161007 984865307 /nfs/dbraw/zinc/86/53/07/984865307.db2.gz IAADPVGRJMHMGV-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP C([NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2)[C@]12C[C@H]1CCC2 ZINC000927120458 984881472 /nfs/dbraw/zinc/88/14/72/984881472.db2.gz FDFQDEJPSNWGCX-DGAVXFQQSA-N 2 1 220.360 1.860 20 0 BDADMP C([NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2)[C@]12C[C@H]1CCC2 ZINC000927120458 984881473 /nfs/dbraw/zinc/88/14/73/984881473.db2.gz FDFQDEJPSNWGCX-DGAVXFQQSA-N 2 1 220.360 1.860 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001578241993 984895141 /nfs/dbraw/zinc/89/51/41/984895141.db2.gz WMBWTDSEUXELJP-KXNHARMFSA-N 2 1 240.347 1.058 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CCC[N@@H+](CC)C1 ZINC001578241588 984896271 /nfs/dbraw/zinc/89/62/71/984896271.db2.gz CXLJGVKQATZSRK-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP CCc1cc(N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(C)[nH+]1 ZINC001578248229 984901556 /nfs/dbraw/zinc/90/15/56/984901556.db2.gz VVVCAOPUWOMUQU-PJXYFTJBSA-N 2 1 232.331 1.001 20 0 BDADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CCCC3)C[C@@H]2C1 ZINC001257353565 984920236 /nfs/dbraw/zinc/92/02/36/984920236.db2.gz TVIAQJGEDZAKMO-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[NH+](C3CCCC3)C[C@@H]2C1 ZINC001257353565 984920261 /nfs/dbraw/zinc/92/02/61/984920261.db2.gz TVIAQJGEDZAKMO-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2C1 ZINC001257353565 984920284 /nfs/dbraw/zinc/92/02/84/984920284.db2.gz TVIAQJGEDZAKMO-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2C1 ZINC001257353565 984920303 /nfs/dbraw/zinc/92/03/03/984920303.db2.gz TVIAQJGEDZAKMO-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+](C[C@](C)(O)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578440604 985065362 /nfs/dbraw/zinc/06/53/62/985065362.db2.gz JVNLUBCPKYRQLI-YJNKXOJESA-N 2 1 246.354 1.044 20 0 BDADMP C[N@@H+](C[C@](C)(O)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578440604 985065376 /nfs/dbraw/zinc/06/53/76/985065376.db2.gz JVNLUBCPKYRQLI-YJNKXOJESA-N 2 1 246.354 1.044 20 0 BDADMP C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H](O)C1CC1 ZINC001578442211 985069300 /nfs/dbraw/zinc/06/93/00/985069300.db2.gz PJWWBIAEKWWRCP-OLZOCXBDSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H](O)C1CC1 ZINC001578442211 985069321 /nfs/dbraw/zinc/06/93/21/985069321.db2.gz PJWWBIAEKWWRCP-OLZOCXBDSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450761 985084469 /nfs/dbraw/zinc/08/44/69/985084469.db2.gz ZJORCHOETVLUIO-QEHJDLSMSA-N 2 1 236.359 1.094 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450761 985084483 /nfs/dbraw/zinc/08/44/83/985084483.db2.gz ZJORCHOETVLUIO-QEHJDLSMSA-N 2 1 236.359 1.094 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H]1O ZINC001578463320 985100248 /nfs/dbraw/zinc/10/02/48/985100248.db2.gz CEYYHWLDKGJPIK-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+](Cc1cc[nH]c(=O)c1)C1(C[NH3+])CCC1 ZINC001578498557 985121048 /nfs/dbraw/zinc/12/10/48/985121048.db2.gz PJFCTSYMTXZSJP-UHFFFAOYSA-N 2 1 221.304 1.100 20 0 BDADMP C[N@@H+](Cc1cc[nH]c(=O)c1)C1(C[NH3+])CCC1 ZINC001578498557 985121060 /nfs/dbraw/zinc/12/10/60/985121060.db2.gz PJFCTSYMTXZSJP-UHFFFAOYSA-N 2 1 221.304 1.100 20 0 BDADMP C[N@H+]1C[C@@]23CN(CC4C[NH2+]C4)C[C@]2(C1)CCCC3 ZINC001578521296 985145343 /nfs/dbraw/zinc/14/53/43/985145343.db2.gz PUBSSJGVUAKFEX-GASCZTMLSA-N 2 1 249.402 1.014 20 0 BDADMP CN1CC[C@H]([N@@H+](C)CCCCCCC[NH3+])C1=O ZINC001578524810 985149503 /nfs/dbraw/zinc/14/95/03/985149503.db2.gz JLCZQEZWTLLBIT-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP C[N@@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529427 985156356 /nfs/dbraw/zinc/15/63/56/985156356.db2.gz UUPUDWXIZNSHAS-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529427 985156371 /nfs/dbraw/zinc/15/63/71/985156371.db2.gz UUPUDWXIZNSHAS-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP C[N@H+]1CCC[C@H]1CNC[C@H]([NH3+])CCC(C)(C)C ZINC001578530213 985159238 /nfs/dbraw/zinc/15/92/38/985159238.db2.gz BYYRSXQVFYJPDR-OLZOCXBDSA-N 2 1 241.423 1.824 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC001578606995 985222628 /nfs/dbraw/zinc/22/26/28/985222628.db2.gz QDBFYGMVEWJEIL-SMDDNHRTSA-N 2 1 248.374 1.207 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC001578620884 985229596 /nfs/dbraw/zinc/22/95/96/985229596.db2.gz ASSZGRZJPJUHAG-YUELXQCFSA-N 2 1 248.370 1.650 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC001578620884 985229609 /nfs/dbraw/zinc/22/96/09/985229609.db2.gz ASSZGRZJPJUHAG-YUELXQCFSA-N 2 1 248.370 1.650 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnn2ccccc12 ZINC001578626686 985243416 /nfs/dbraw/zinc/24/34/16/985243416.db2.gz FWXOXVVTTFJHTM-LLVKDONJSA-N 2 1 232.331 1.279 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC001578653698 985269212 /nfs/dbraw/zinc/26/92/12/985269212.db2.gz CFNSYNXCCFWOMY-QEJZJMRPSA-N 2 1 248.370 1.650 20 0 BDADMP CNc1ccccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC001578763138 985328265 /nfs/dbraw/zinc/32/82/65/985328265.db2.gz CEJAPONAKAZERV-UHFFFAOYSA-N 2 1 233.359 1.912 20 0 BDADMP CNc1ccccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC001578763138 985328276 /nfs/dbraw/zinc/32/82/76/985328276.db2.gz CEJAPONAKAZERV-UHFFFAOYSA-N 2 1 233.359 1.912 20 0 BDADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1C ZINC001578803139 985375432 /nfs/dbraw/zinc/37/54/32/985375432.db2.gz INZNUUKBPHEAQY-VWYCJHECSA-N 2 1 242.363 1.291 20 0 BDADMP COC(=O)CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC001578804911 985377918 /nfs/dbraw/zinc/37/79/18/985377918.db2.gz MOWJUSJEUJVUKU-NEPJUHHUSA-N 2 1 242.363 1.115 20 0 BDADMP CO[C@H](CC(C)C)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001578901548 985489266 /nfs/dbraw/zinc/48/92/66/985489266.db2.gz SZXNYATZTRZTEY-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001578901548 985489298 /nfs/dbraw/zinc/48/92/98/985489298.db2.gz SZXNYATZTRZTEY-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC001578912321 985516886 /nfs/dbraw/zinc/51/68/86/985516886.db2.gz CKSFJUPJUGEEEY-JLLWLGSASA-N 2 1 212.337 1.142 20 0 BDADMP COC1(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CCC1 ZINC001578926745 985528581 /nfs/dbraw/zinc/52/85/81/985528581.db2.gz MTWYQJCAQXAXQU-WCQYABFASA-N 2 1 224.348 1.369 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CCC1 ZINC001578926745 985528599 /nfs/dbraw/zinc/52/85/99/985528599.db2.gz MTWYQJCAQXAXQU-WCQYABFASA-N 2 1 224.348 1.369 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])C12CCC2 ZINC001578936363 985542764 /nfs/dbraw/zinc/54/27/64/985542764.db2.gz RAKDUNYFBWLVLK-VHSXEESVSA-N 2 1 212.337 1.271 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000688053119 985544217 /nfs/dbraw/zinc/54/42/17/985544217.db2.gz MKVUHGXBWCVSCV-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000688053119 985544230 /nfs/dbraw/zinc/54/42/30/985544230.db2.gz MKVUHGXBWCVSCV-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001578960378 985577570 /nfs/dbraw/zinc/57/75/70/985577570.db2.gz HJSOFURBUBJVDI-CHWSQXEVSA-N 2 1 244.379 1.016 20 0 BDADMP COC[C@H](C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(C)C ZINC001578961073 985581542 /nfs/dbraw/zinc/58/15/42/985581542.db2.gz GAZMRSSQWGNJDR-WUHRBBMRSA-N 2 1 226.364 1.055 20 0 BDADMP Cc1[nH+]c(N)ccc1/C=C/C1CC[NH2+]CC1 ZINC001243897692 985586534 /nfs/dbraw/zinc/58/65/34/985586534.db2.gz PPSQQMSRLWBGNJ-NSCUHMNNSA-N 2 1 217.316 1.985 20 0 BDADMP Cc1cc(C2=C[NH2+]CCC2)nc2c1C[NH2+]CC2 ZINC001243948184 985629458 /nfs/dbraw/zinc/62/94/58/985629458.db2.gz XUPSTAZYRBFDFD-UHFFFAOYSA-N 2 1 229.327 1.760 20 0 BDADMP Cc1cnc(C2=C[NH2+]CCC2)c(C[NH3+])c1 ZINC001243949928 985643170 /nfs/dbraw/zinc/64/31/70/985643170.db2.gz UNLOYXLCEBMWOJ-UHFFFAOYSA-N 2 1 203.289 1.573 20 0 BDADMP CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1C ZINC001459981822 985687430 /nfs/dbraw/zinc/68/74/30/985687430.db2.gz BXZNLXAIQTWQMF-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1C ZINC001459981822 985687435 /nfs/dbraw/zinc/68/74/35/985687435.db2.gz BXZNLXAIQTWQMF-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1C ZINC001459981822 985687438 /nfs/dbraw/zinc/68/74/38/985687438.db2.gz BXZNLXAIQTWQMF-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1C ZINC001459981822 985687442 /nfs/dbraw/zinc/68/74/42/985687442.db2.gz BXZNLXAIQTWQMF-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](CC(F)F)C[N@H+](C)CC[NH2+]C ZINC000688750511 985721118 /nfs/dbraw/zinc/72/11/18/985721118.db2.gz MSGMKXULWQQYSY-VIFPVBQESA-N 2 1 208.296 1.819 20 0 BDADMP CC[C@@H](CC(F)F)C[N@@H+](C)CC[NH2+]C ZINC000688750511 985721131 /nfs/dbraw/zinc/72/11/31/985721131.db2.gz MSGMKXULWQQYSY-VIFPVBQESA-N 2 1 208.296 1.819 20 0 BDADMP C[N@@H+](CCO)CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258281989 985788428 /nfs/dbraw/zinc/78/84/28/985788428.db2.gz DKKNNJUYEDJQEY-ZDUSSCGKSA-N 2 1 242.407 1.859 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000689079747 985793860 /nfs/dbraw/zinc/79/38/60/985793860.db2.gz NWBIXSVGGSETND-QNWHQSFQSA-N 2 1 226.364 1.613 20 0 BDADMP COc1cc(CC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)ccn1 ZINC001579150167 985814050 /nfs/dbraw/zinc/81/40/50/985814050.db2.gz GITUKQVYZUCDQM-AAEUAGOBSA-N 2 1 249.358 1.220 20 0 BDADMP COc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCO2 ZINC001579248571 985825027 /nfs/dbraw/zinc/82/50/27/985825027.db2.gz DJORCIYDDIKWTK-CYBMUJFWSA-N 2 1 248.326 1.328 20 0 BDADMP COc1cncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC001579322385 985842699 /nfs/dbraw/zinc/84/26/99/985842699.db2.gz UOTVMNQLWPGVEG-ZYHUDNBSSA-N 2 1 249.358 1.425 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]CC(C)(C)Oc1ccccc1 ZINC001579395260 985874165 /nfs/dbraw/zinc/87/41/65/985874165.db2.gz CNXUGILQMKTAGN-NSHDSACASA-N 2 1 222.332 1.781 20 0 BDADMP C[C@H](O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460695072 985878274 /nfs/dbraw/zinc/87/82/74/985878274.db2.gz YHTUKHQGMCWWLS-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2N(C)C)C[C@H]1C[NH3+] ZINC001579440551 985926404 /nfs/dbraw/zinc/92/64/04/985926404.db2.gz LMOBGMVYGWOTRF-DGCLKSJQSA-N 2 1 248.374 1.174 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC001579454619 985942472 /nfs/dbraw/zinc/94/24/72/985942472.db2.gz PCGZNXMXSFUPCP-FRRDWIJNSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC001579454713 985946867 /nfs/dbraw/zinc/94/68/67/985946867.db2.gz XMGIJTUYPUXTQP-YIYPIFLZSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001579467429 985966895 /nfs/dbraw/zinc/96/68/95/985966895.db2.gz DYEULHKLSXIWNP-MLGHIDQZSA-N 2 1 236.359 1.142 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@H]([NH3+])CC(F)F ZINC001579471037 985977604 /nfs/dbraw/zinc/97/76/04/985977604.db2.gz WMGZASCMRYDZNE-GRDBIXFFSA-N 2 1 218.291 1.603 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001579495984 986022432 /nfs/dbraw/zinc/02/24/32/986022432.db2.gz KHVUEANVBGTRCN-APYLGABCSA-N 2 1 238.375 1.220 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]c1=O ZINC001276328540 986024263 /nfs/dbraw/zinc/02/42/63/986024263.db2.gz VTGKWDPOSRIBKX-YHWZYXNKSA-N 2 1 247.342 1.502 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001579499608 986027715 /nfs/dbraw/zinc/02/77/15/986027715.db2.gz XKGPKQXVEHNOSD-ZOBORPQBSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC001579499441 986029927 /nfs/dbraw/zinc/02/99/27/986029927.db2.gz QRKAZHKPMHMOIS-OUAUKWLOSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H]1[C@@H](O)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC001579507934 986056717 /nfs/dbraw/zinc/05/67/17/986056717.db2.gz NYKNQZWTGYWCSD-NHYWBVRUSA-N 2 1 246.354 1.287 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(=O)[nH]2)C1 ZINC001206615026 986086199 /nfs/dbraw/zinc/08/61/99/986086199.db2.gz AOCGZQAFOIQAFG-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP Cc1cc(C)c2c(c1)CC[N@H+](C[C@H](O)CC[NH3+])C2 ZINC001579577047 986091455 /nfs/dbraw/zinc/09/14/55/986091455.db2.gz WPAJCORVNSMKNB-CQSZACIVSA-N 2 1 248.370 1.371 20 0 BDADMP Cc1cc(NC(=O)C2(C)C[NH2+]C2)cn2cc[nH+]c12 ZINC001579627046 986146727 /nfs/dbraw/zinc/14/67/27/986146727.db2.gz ZBKLJSIVECFOAQ-UHFFFAOYSA-N 2 1 244.298 1.191 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001461829128 986195627 /nfs/dbraw/zinc/19/56/27/986195627.db2.gz KTWUGHDCQMHURJ-RWMBFGLXSA-N 2 1 240.391 1.589 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@@H]2CO)CC1 ZINC001462092783 986281571 /nfs/dbraw/zinc/28/15/71/986281571.db2.gz KJWPARMDGQMRNM-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](O)C1 ZINC001258907033 986311415 /nfs/dbraw/zinc/31/14/15/986311415.db2.gz DEXITYAKJNNTHJ-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP Cc1oncc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579930563 986349409 /nfs/dbraw/zinc/34/94/09/986349409.db2.gz PAAGHMINBFSYQQ-PWSUYJOCSA-N 2 1 221.304 1.024 20 0 BDADMP Cc1oncc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579930563 986349422 /nfs/dbraw/zinc/34/94/22/986349422.db2.gz PAAGHMINBFSYQQ-PWSUYJOCSA-N 2 1 221.304 1.024 20 0 BDADMP Cn1cc(C[NH2+]CC2C[NH2+]C2)c(C(C)(C)C)n1 ZINC001579964120 986367663 /nfs/dbraw/zinc/36/76/63/986367663.db2.gz JDBFJJABESTONQ-UHFFFAOYSA-N 2 1 236.363 1.027 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)c1 ZINC001579970995 986376345 /nfs/dbraw/zinc/37/63/45/986376345.db2.gz HGVAXILYMIVPJP-OLZOCXBDSA-N 2 1 219.332 1.066 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)c1 ZINC001579970995 986376353 /nfs/dbraw/zinc/37/63/53/986376353.db2.gz HGVAXILYMIVPJP-OLZOCXBDSA-N 2 1 219.332 1.066 20 0 BDADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001580020873 986419109 /nfs/dbraw/zinc/41/91/09/986419109.db2.gz GIKQGDUABAKMRB-BGZDPUMWSA-N 2 1 220.238 1.136 20 0 BDADMP FC1(F)[C@@H]2CC[N@H+](C[C@@]34C[C@@H]3C[NH2+]C4)C[C@@H]21 ZINC001580023955 986421846 /nfs/dbraw/zinc/42/18/46/986421846.db2.gz LHGBDBHBHCFUDK-ZNSHCXBVSA-N 2 1 228.286 1.183 20 0 BDADMP FC1(F)[C@@H]2CC[N@@H+](C[C@@]34C[C@@H]3C[NH2+]C4)C[C@@H]21 ZINC001580023955 986421854 /nfs/dbraw/zinc/42/18/54/986421854.db2.gz LHGBDBHBHCFUDK-ZNSHCXBVSA-N 2 1 228.286 1.183 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)CC[C@H]1O ZINC001254515910 986655901 /nfs/dbraw/zinc/65/59/01/986655901.db2.gz GKLQYANRTFLHIT-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC[C@H]1O ZINC001254515910 986655913 /nfs/dbraw/zinc/65/59/13/986655913.db2.gz GKLQYANRTFLHIT-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC[C@H]1O ZINC001254515910 986655925 /nfs/dbraw/zinc/65/59/25/986655925.db2.gz GKLQYANRTFLHIT-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+]CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001580213487 986660716 /nfs/dbraw/zinc/66/07/16/986660716.db2.gz LFAIIDYFBYHRIB-UHFFFAOYSA-N 2 1 231.299 1.062 20 0 BDADMP C[NH+](C)[C@@H]1CCCN([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254523632 986660794 /nfs/dbraw/zinc/66/07/94/986660794.db2.gz QJURLFBWLOQYLB-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+](C)[C@@H]1CCCN([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254523631 986663576 /nfs/dbraw/zinc/66/35/76/986663576.db2.gz QJURLFBWLOQYLB-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)O[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254530577 986677163 /nfs/dbraw/zinc/67/71/63/986677163.db2.gz YUJJXSHIRAHVNY-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]C[C@]12C[N@H+](Cc3c[nH]cn3)C[C@H]1CCCC2 ZINC001580256901 986710160 /nfs/dbraw/zinc/71/01/60/986710160.db2.gz ZOXQHRWNIHMLCE-DGCLKSJQSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@]12C[N@@H+](Cc3c[nH]cn3)C[C@H]1CCCC2 ZINC001580256901 986710173 /nfs/dbraw/zinc/71/01/73/986710173.db2.gz ZOXQHRWNIHMLCE-DGCLKSJQSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cn(C3CC3)cn2)C1 ZINC001580288134 986734612 /nfs/dbraw/zinc/73/46/12/986734612.db2.gz BXVSUSGOPFMBCC-NSHDSACASA-N 2 1 234.347 1.389 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000383746169 986826169 /nfs/dbraw/zinc/82/61/69/986826169.db2.gz JDVXYCRYLCWVTK-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCSC[C@@H]2C2CCC2)C1 ZINC001580419181 986838474 /nfs/dbraw/zinc/83/84/74/986838474.db2.gz VRQGQHSXIXZVKU-KGYLQXTDSA-N 2 1 240.416 1.941 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC000384055690 986843038 /nfs/dbraw/zinc/84/30/38/986843038.db2.gz XIQQOIPWLIEJEG-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)(C)[C@@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC000700378522 986857567 /nfs/dbraw/zinc/85/75/67/986857567.db2.gz QJTBFQVFLMHEKG-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CC[C@H](n2ccc3cccc(C[NH3+])c32)C1 ZINC001255419382 986942111 /nfs/dbraw/zinc/94/21/11/986942111.db2.gz GYEDZPJOOPSAON-ZDUSSCGKSA-N 2 1 229.327 1.977 20 0 BDADMP CCC(CC)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C2)C1 ZINC001255423712 986945558 /nfs/dbraw/zinc/94/55/58/986945558.db2.gz YBYQFPZBYCEGJR-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C2)C1 ZINC001255423712 986945566 /nfs/dbraw/zinc/94/55/66/986945566.db2.gz YBYQFPZBYCEGJR-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C2)C1 ZINC001255423712 986945578 /nfs/dbraw/zinc/94/55/78/986945578.db2.gz YBYQFPZBYCEGJR-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C2)C1 ZINC001255423712 986945590 /nfs/dbraw/zinc/94/55/90/986945590.db2.gz YBYQFPZBYCEGJR-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH2+]CC[N@H+]([C@H](C)COC)C(C)(C)C ZINC001255584177 987035458 /nfs/dbraw/zinc/03/54/58/987035458.db2.gz URYIARFAZVJGIS-SNVBAGLBSA-N 2 1 202.342 1.341 20 0 BDADMP C[NH2+]CC[N@@H+]([C@H](C)COC)C(C)(C)C ZINC001255584177 987035470 /nfs/dbraw/zinc/03/54/70/987035470.db2.gz URYIARFAZVJGIS-SNVBAGLBSA-N 2 1 202.342 1.341 20 0 BDADMP Cc1cc(C[NH3+])nn1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255666222 987048225 /nfs/dbraw/zinc/04/82/25/987048225.db2.gz WEDUYYSWUQHXTF-PBWFPOADSA-N 2 1 248.374 1.838 20 0 BDADMP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001245987865 987273025 /nfs/dbraw/zinc/27/30/25/987273025.db2.gz CRNFKFYBOMTYSO-MNOVXSKESA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)[NH2+]C1 ZINC001245989568 987274178 /nfs/dbraw/zinc/27/41/78/987274178.db2.gz GZAXOMGWLMVZCS-WOPDTQHZSA-N 2 1 228.380 1.371 20 0 BDADMP CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001245998774 987276370 /nfs/dbraw/zinc/27/63/70/987276370.db2.gz ZEZCZEKTGBJGJE-WOPDTQHZSA-N 2 1 214.353 1.125 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@@H](O)c1ccccc1 ZINC001246001828 987284345 /nfs/dbraw/zinc/28/43/45/987284345.db2.gz ORTBZSQQSRXCPX-NWDGAFQWSA-N 2 1 208.305 1.047 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246020830 987307212 /nfs/dbraw/zinc/30/72/12/987307212.db2.gz KCIVGVPLKBAZFZ-MCIONIFRSA-N 2 1 242.407 1.987 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246020830 987307223 /nfs/dbraw/zinc/30/72/23/987307223.db2.gz KCIVGVPLKBAZFZ-MCIONIFRSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019623 987307954 /nfs/dbraw/zinc/30/79/54/987307954.db2.gz GPHXRWJDZACERQ-OCCSQVGLSA-N 2 1 242.407 1.844 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246020200 987308006 /nfs/dbraw/zinc/30/80/06/987308006.db2.gz IJJYACPZOZEWAZ-OLZOCXBDSA-N 2 1 228.380 1.598 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246023259 987312280 /nfs/dbraw/zinc/31/22/80/987312280.db2.gz PDIBKHWQPVCSSL-MJBXVCDLSA-N 2 1 242.407 1.844 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246022013 987315241 /nfs/dbraw/zinc/31/52/41/987315241.db2.gz ODGXZYLWNGPKAG-QWHCGFSZSA-N 2 1 228.380 1.454 20 0 BDADMP CCC[C@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246027581 987322303 /nfs/dbraw/zinc/32/23/03/987322303.db2.gz AXHUQGSZWFKQHG-QWHCGFSZSA-N 2 1 226.364 1.365 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246027581 987322310 /nfs/dbraw/zinc/32/23/10/987322310.db2.gz AXHUQGSZWFKQHG-QWHCGFSZSA-N 2 1 226.364 1.365 20 0 BDADMP CC(C)[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246027124 987325173 /nfs/dbraw/zinc/32/51/73/987325173.db2.gz WZGVOGUAUIJROI-IJLUTSLNSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246027124 987325180 /nfs/dbraw/zinc/32/51/80/987325180.db2.gz WZGVOGUAUIJROI-IJLUTSLNSA-N 2 1 214.353 1.063 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028122 987326334 /nfs/dbraw/zinc/32/63/34/987326334.db2.gz ABPYXJATMQMKSR-UONOGXRCSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cnn2ccccc12)[NH+](C)C ZINC000697858702 987365869 /nfs/dbraw/zinc/36/58/69/987365869.db2.gz MVUBXONSUOXAPU-LBPRGKRZSA-N 2 1 246.358 1.764 20 0 BDADMP C1=C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000698176363 987369806 /nfs/dbraw/zinc/36/98/06/987369806.db2.gz NHJZQWANWPHKDP-RJRAAQABSA-N 2 1 204.317 1.291 20 0 BDADMP C[C@@]1(O)CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246085660 987387532 /nfs/dbraw/zinc/38/75/32/987387532.db2.gz AJPDORMTYCKAGM-SRVKXCTJSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246087657 987389871 /nfs/dbraw/zinc/38/98/71/987389871.db2.gz ZRWMARUUHFEZHX-QCNOEVLYSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](F)CC2)C[NH2+]1 ZINC001246089621 987394110 /nfs/dbraw/zinc/39/41/10/987394110.db2.gz QWRJDCKIRPCZBS-YFKTTZPYSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)C[NH2+]1 ZINC001246093673 987402995 /nfs/dbraw/zinc/40/29/95/987402995.db2.gz WDTWUWLQHNDFFJ-WUHRBBMRSA-N 2 1 226.364 1.410 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246096842 987408235 /nfs/dbraw/zinc/40/82/35/987408235.db2.gz NAYSBABUHDRKKL-LPWJVIDDSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246096301 987411150 /nfs/dbraw/zinc/41/11/50/987411150.db2.gz UAWRAZARPZEOHE-NDBYEHHHSA-N 3 1 225.380 1.105 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246106781 987438361 /nfs/dbraw/zinc/43/83/61/987438361.db2.gz FTFLTENTOGJJOR-OLZOCXBDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246119622 987463200 /nfs/dbraw/zinc/46/32/00/987463200.db2.gz WRTCEFPMHBYMRI-FDYHWXHSSA-N 3 1 225.380 1.105 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130843 987480655 /nfs/dbraw/zinc/48/06/55/987480655.db2.gz WMGVQGZUGYMUFB-RYUDHWBXSA-N 2 1 214.353 1.532 20 0 BDADMP CCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246137540 987492814 /nfs/dbraw/zinc/49/28/14/987492814.db2.gz ZGNLSOHPMBHABJ-FDYHWXHSSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246137614 987495839 /nfs/dbraw/zinc/49/58/39/987495839.db2.gz JMKMVQNOKFLQLJ-UPJWGTAASA-N 3 1 237.391 1.249 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001246153472 987516963 /nfs/dbraw/zinc/51/69/63/987516963.db2.gz SBVGXQZAVJZNHI-USZNOCQGSA-N 2 1 240.347 1.045 20 0 BDADMP Nc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246168988 987531500 /nfs/dbraw/zinc/53/15/00/987531500.db2.gz HJAJENZCXNUHPN-FUNVUKJBSA-N 2 1 231.343 1.641 20 0 BDADMP c1nc2c(s1)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246186016 987560372 /nfs/dbraw/zinc/56/03/72/987560372.db2.gz DEZXVKCGECIILU-NXEZZACHSA-N 2 1 237.372 1.342 20 0 BDADMP C([NH2+][C@H]1CC2CCN(CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246197567 987591197 /nfs/dbraw/zinc/59/11/97/987591197.db2.gz BIQSTNOBUJQVDU-KGLIPLIRSA-N 2 1 237.391 1.060 20 0 BDADMP C([NH2+][C@@H]1CC2CCN(CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246197585 987592719 /nfs/dbraw/zinc/59/27/19/987592719.db2.gz BIQSTNOBUJQVDU-ZIAGYGMSSA-N 2 1 237.391 1.060 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2(c3ccncc3)CC2)CC[NH2+]1 ZINC001246210084 987605939 /nfs/dbraw/zinc/60/59/39/987605939.db2.gz IBFZTVKLIWQYIO-WCQYABFASA-N 2 1 231.343 1.801 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246220882 987619613 /nfs/dbraw/zinc/61/96/13/987619613.db2.gz GUPQGTSLGDGGEW-POQQGIQPSA-N 3 1 237.391 1.247 20 0 BDADMP C([NH2+][C@@H]1CCCCNC1)[C@H]1CCC[NH2+]CC1 ZINC001246225280 987621929 /nfs/dbraw/zinc/62/19/29/987621929.db2.gz OTWCAGVVBCLXMQ-QWHCGFSZSA-N 2 1 225.380 1.108 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC001246240600 987641530 /nfs/dbraw/zinc/64/15/30/987641530.db2.gz QYCPTMJKWLCLSV-LBPRGKRZSA-N 2 1 219.332 1.874 20 0 BDADMP Cc1cccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)n1 ZINC001246240832 987641969 /nfs/dbraw/zinc/64/19/69/987641969.db2.gz XOWRNHTWQLQIRZ-LLVKDONJSA-N 2 1 219.332 1.793 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC001246251990 987649859 /nfs/dbraw/zinc/64/98/59/987649859.db2.gz PWIYDUBDPYDVJC-MDZLAQPJSA-N 3 1 225.380 1.105 20 0 BDADMP Oc1cccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246264669 987657777 /nfs/dbraw/zinc/65/77/77/987657777.db2.gz OFYMHRDOXGCKCQ-ZACCUICWSA-N 2 1 233.315 1.160 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC23CC[NH+](CC2)CC3)C[NH2+]1 ZINC001246266843 987662002 /nfs/dbraw/zinc/66/20/02/987662002.db2.gz SGDTXLUBSPGNGT-OLZOCXBDSA-N 3 1 237.391 1.202 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001474302596 987681256 /nfs/dbraw/zinc/68/12/56/987681256.db2.gz ZTWOQJDDBYHELJ-KWCYVHTRSA-N 2 1 248.374 1.456 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001474302596 987681265 /nfs/dbraw/zinc/68/12/65/987681265.db2.gz ZTWOQJDDBYHELJ-KWCYVHTRSA-N 2 1 248.374 1.456 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCCC3)[C@@H]2C1 ZINC001474301168 987683245 /nfs/dbraw/zinc/68/32/45/987683245.db2.gz GKZRGZZBTOPVPV-UHTWSYAYSA-N 2 1 208.349 1.859 20 0 BDADMP CCCCC(CCCC)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246296731 987689396 /nfs/dbraw/zinc/68/93/96/987689396.db2.gz CIUBBYBDXDQFOV-TZMCWYRMSA-N 2 1 242.407 1.905 20 0 BDADMP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCCCCCC1 ZINC001246298725 987693065 /nfs/dbraw/zinc/69/30/65/987693065.db2.gz IGINNHOEAZMBGL-WCQYABFASA-N 2 1 226.364 1.269 20 0 BDADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCCCCCC1 ZINC001246298708 987694223 /nfs/dbraw/zinc/69/42/23/987694223.db2.gz IGINNHOEAZMBGL-AAEUAGOBSA-N 2 1 226.364 1.269 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246299883 987694663 /nfs/dbraw/zinc/69/46/63/987694663.db2.gz NYUMIRFWWJJTCF-FQUUOJAGSA-N 2 1 242.407 1.617 20 0 BDADMP C[C@@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246307638 987708038 /nfs/dbraw/zinc/70/80/38/987708038.db2.gz ZWXGISGYLMFYJB-OLZOCXBDSA-N 3 1 239.407 1.768 20 0 BDADMP CC(C)CC(CC(C)C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246309717 987708527 /nfs/dbraw/zinc/70/85/27/987708527.db2.gz SSJRWEWKSUUPNG-OCCSQVGLSA-N 2 1 242.407 1.617 20 0 BDADMP CCCC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246307993 987708700 /nfs/dbraw/zinc/70/87/00/987708700.db2.gz NRCGPYMAIVVUMP-MGPQQGTHSA-N 2 1 242.407 1.761 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ncccc32)CC[NH2+]1 ZINC001246310238 987711959 /nfs/dbraw/zinc/71/19/59/987711959.db2.gz GGZQGSGRCXIOFT-GYSYKLTISA-N 2 1 231.343 1.799 20 0 BDADMP [NH3+]Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246328811 987735365 /nfs/dbraw/zinc/73/53/65/987735365.db2.gz TWAXYQAUVGLKPE-YIONKMFJSA-N 2 1 245.370 1.518 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC2CCC(O)CC2)C[NH2+]1 ZINC001246333252 987742822 /nfs/dbraw/zinc/74/28/22/987742822.db2.gz KGIGFMVYIWKUPS-NELGMTEASA-N 2 1 240.391 1.658 20 0 BDADMP COC(CCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1)OC ZINC001246338737 987749837 /nfs/dbraw/zinc/74/98/37/987749837.db2.gz CKSJVYSPFKNFOY-WDEREUQCSA-N 2 1 230.352 1.116 20 0 BDADMP CO[C@@H](C)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC001474566884 987761065 /nfs/dbraw/zinc/76/10/65/987761065.db2.gz STJQZYHZUNYFPL-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246355593 987763887 /nfs/dbraw/zinc/76/38/87/987763887.db2.gz KCZVEERMAINSRY-UHIISALHSA-N 2 1 231.343 1.883 20 0 BDADMP [NH3+]CCc1cn([C@@H]2CCC[NH2+]C2)c2ccncc12 ZINC001246358041 987768479 /nfs/dbraw/zinc/76/84/79/987768479.db2.gz CDFXVLUUTUSIHC-GFCCVEGCSA-N 2 1 244.342 1.462 20 0 BDADMP [NH3+]CCc1cn([C@H]2CCC[NH2+]C2)c2ccncc12 ZINC001246358042 987769309 /nfs/dbraw/zinc/76/93/09/987769309.db2.gz CDFXVLUUTUSIHC-LBPRGKRZSA-N 2 1 244.342 1.462 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)CCO)CC1 ZINC001474607427 987777250 /nfs/dbraw/zinc/77/72/50/987777250.db2.gz PLRSYMODNGYKTA-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)n1cncc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246390386 987778060 /nfs/dbraw/zinc/77/80/60/987778060.db2.gz XSJGOWDPPCDMFZ-VXGBXAGGSA-N 2 1 236.363 1.694 20 0 BDADMP CC(C)CC1([NH2+][C@@H]2CCC[NH2+]C2)CCOCC1 ZINC001246407048 987786354 /nfs/dbraw/zinc/78/63/54/987786354.db2.gz SSNPFKICXYRREW-CYBMUJFWSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccnn2CCF)CC[NH2+]1 ZINC001246427280 987793974 /nfs/dbraw/zinc/79/39/74/987793974.db2.gz KBFJPVIEFRWUKH-WDEREUQCSA-N 2 1 240.326 1.083 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(CCF)c2)CC[NH2+]1 ZINC001246429685 987795546 /nfs/dbraw/zinc/79/55/46/987795546.db2.gz VEMIVAHZTJWFNT-CMPLNLGQSA-N 2 1 240.326 1.083 20 0 BDADMP CCSC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246450069 987807071 /nfs/dbraw/zinc/80/70/71/987807071.db2.gz AFAQDUULHPLGJH-NSHDSACASA-N 3 1 233.425 1.046 20 0 BDADMP CCn1ccc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)n1 ZINC001474735231 987814412 /nfs/dbraw/zinc/81/44/12/987814412.db2.gz LFKQQKLSYFKYAB-ZDUSSCGKSA-N 2 1 248.374 1.334 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)C1CC1 ZINC001474756354 987819317 /nfs/dbraw/zinc/81/93/17/987819317.db2.gz CVCBODRNAKOLIH-ZBAXXZLZSA-N 2 1 208.349 1.715 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246478450 987838172 /nfs/dbraw/zinc/83/81/72/987838172.db2.gz NSYGAFPYNGIWNB-TZMCWYRMSA-N 2 1 248.370 1.968 20 0 BDADMP CCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246489500 987843971 /nfs/dbraw/zinc/84/39/71/987843971.db2.gz NPYAGWZYVIPGGU-CHWSQXEVSA-N 2 1 227.396 1.496 20 0 BDADMP C([NH2+]C1CCCCCCC1)[C@@H]1C[NH2+]CCN1 ZINC001246486754 987844274 /nfs/dbraw/zinc/84/42/74/987844274.db2.gz FGDDGBYWVFUXIX-ZDUSSCGKSA-N 2 1 225.380 1.250 20 0 BDADMP CC(C)CC(CC(C)C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246489286 987844304 /nfs/dbraw/zinc/84/43/04/987844304.db2.gz MVACMEADEXCDLG-CQSZACIVSA-N 2 1 241.423 1.598 20 0 BDADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488615 987844569 /nfs/dbraw/zinc/84/45/69/987844569.db2.gz LCKICWRCCZFMEW-BFHYXJOUSA-N 2 1 241.423 1.742 20 0 BDADMP CCCCC(CCCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246492306 987847448 /nfs/dbraw/zinc/84/74/48/987847448.db2.gz VCYYNJZGFKZUKN-CQSZACIVSA-N 2 1 241.423 1.886 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]1 ZINC001246513322 987862054 /nfs/dbraw/zinc/86/20/54/987862054.db2.gz COMUAJFBBCBSOJ-SWHYSGLUSA-N 3 1 237.391 1.105 20 0 BDADMP CCCC[C@H]1C[C@H]([NH2+][C@@H](C)CC[NH3+])CC[NH2+]1 ZINC001246512604 987862567 /nfs/dbraw/zinc/86/25/67/987862567.db2.gz LBSKUPMYKLZLHF-RWMBFGLXSA-N 3 1 227.396 1.624 20 0 BDADMP C1CC([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2C[NH2+]C2)C1 ZINC001246519345 987866332 /nfs/dbraw/zinc/86/63/32/987866332.db2.gz RYSRSJLCFOBQIO-IXXDHKBRSA-N 3 1 249.402 1.247 20 0 BDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520711 987867634 /nfs/dbraw/zinc/86/76/34/987867634.db2.gz VJJSQULFLRERTH-CQSZACIVSA-N 2 1 245.370 1.212 20 0 BDADMP C[C@H]1CC[C@@H](n2cc[nH+]c2CCC[NH3+])C[NH2+]1 ZINC001246523286 987873832 /nfs/dbraw/zinc/87/38/32/987873832.db2.gz GFKKUFRSVXWZGY-WDEREUQCSA-N 3 1 222.336 1.087 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532647 987890739 /nfs/dbraw/zinc/89/07/39/987890739.db2.gz XKPUHCOXOSYPIG-DGCLKSJQSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532647 987890745 /nfs/dbraw/zinc/89/07/45/987890745.db2.gz XKPUHCOXOSYPIG-DGCLKSJQSA-N 2 1 242.363 1.531 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539965 987902088 /nfs/dbraw/zinc/90/20/88/987902088.db2.gz JEJPJSNORWVFOW-IGQOVBAYSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539965 987902098 /nfs/dbraw/zinc/90/20/98/987902098.db2.gz JEJPJSNORWVFOW-IGQOVBAYSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246539733 987904262 /nfs/dbraw/zinc/90/42/62/987904262.db2.gz IPRXYKVSQMPMDU-ODWCKFRGSA-N 2 1 222.332 1.286 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CO1 ZINC001246539718 987904942 /nfs/dbraw/zinc/90/49/42/987904942.db2.gz IGGGQYQFZCQIIV-MNOVXSKESA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246539226 987906569 /nfs/dbraw/zinc/90/65/69/987906569.db2.gz FQNSNKLPQWAZKQ-YYHQMBLXSA-N 3 1 225.380 1.042 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246539226 987906581 /nfs/dbraw/zinc/90/65/81/987906581.db2.gz FQNSNKLPQWAZKQ-YYHQMBLXSA-N 3 1 225.380 1.042 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246541079 987912324 /nfs/dbraw/zinc/91/23/24/987912324.db2.gz LMYQWBAKRUCXRZ-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP CC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545610 987920202 /nfs/dbraw/zinc/92/02/02/987920202.db2.gz BWALIAQWCDLAIY-WDEREUQCSA-N 2 1 202.317 1.938 20 0 BDADMP CCOC(=O)CC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547305 987930166 /nfs/dbraw/zinc/93/01/66/987930166.db2.gz OZDRJISGTGWFRD-TUAOUCFPSA-N 2 1 242.363 1.530 20 0 BDADMP CCOC(=O)CC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547305 987930179 /nfs/dbraw/zinc/93/01/79/987930179.db2.gz OZDRJISGTGWFRD-TUAOUCFPSA-N 2 1 242.363 1.530 20 0 BDADMP CCSC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246549859 987937579 /nfs/dbraw/zinc/93/75/79/987937579.db2.gz INZXIRUYDNIPRV-NWDGAFQWSA-N 2 1 246.420 1.304 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246551071 987943923 /nfs/dbraw/zinc/94/39/23/987943923.db2.gz KMAFBWZMSHKQKV-DGAVXFQQSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246551070 987947523 /nfs/dbraw/zinc/94/75/23/987947523.db2.gz KMAFBWZMSHKQKV-CRWXNKLISA-N 3 1 237.391 1.188 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCCOC2)CC1 ZINC001246553847 987957598 /nfs/dbraw/zinc/95/75/98/987957598.db2.gz SRPOZHDXVBAJTG-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246555606 987967884 /nfs/dbraw/zinc/96/78/84/987967884.db2.gz XUFFQHRGKZYQKK-NWDGAFQWSA-N 3 1 213.369 1.188 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246555606 987967902 /nfs/dbraw/zinc/96/79/02/987967902.db2.gz XUFFQHRGKZYQKK-NWDGAFQWSA-N 3 1 213.369 1.188 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1O ZINC001246557617 987977378 /nfs/dbraw/zinc/97/73/78/987977378.db2.gz NDTDZJKNAJRIFM-SYCZCVCYSA-N 2 1 238.375 1.362 20 0 BDADMP Cc1cc(NC(=O)NCC2([NH3+])CCC2)cc(C)[nH+]1 ZINC001118015998 987980606 /nfs/dbraw/zinc/98/06/06/987980606.db2.gz RWEZCBQZCVBYCX-UHFFFAOYSA-N 2 1 248.330 1.123 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CO1 ZINC001246562806 988001571 /nfs/dbraw/zinc/00/15/71/988001571.db2.gz WKQMGLKQJGZRKC-YPMHNXCESA-N 2 1 244.354 1.707 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC[C@@H]1C[NH3+] ZINC001246562445 988002155 /nfs/dbraw/zinc/00/21/55/988002155.db2.gz MWQYSBXKPAQZQO-DRWKLNATSA-N 3 1 249.402 1.352 20 0 BDADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001480565978 988006462 /nfs/dbraw/zinc/00/64/62/988006462.db2.gz QVNJUHYOWGPJMF-GFCCVEGCSA-N 2 1 243.395 1.079 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@](O)(CF)C2)C[NH2+]1 ZINC001246562948 988007325 /nfs/dbraw/zinc/00/73/25/988007325.db2.gz APVFCAMBRABKOM-AGIUHOORSA-N 2 1 244.354 1.313 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@](O)(CF)C2)C[NH2+]1 ZINC001246562948 988007342 /nfs/dbraw/zinc/00/73/42/988007342.db2.gz APVFCAMBRABKOM-AGIUHOORSA-N 2 1 244.354 1.313 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563657 988009785 /nfs/dbraw/zinc/00/97/85/988009785.db2.gz LGOUDTCPOPQCIO-IZXDZPFWSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563657 988009805 /nfs/dbraw/zinc/00/98/05/988009805.db2.gz LGOUDTCPOPQCIO-IZXDZPFWSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCOCC2)CCC[C@H]1C[NH3+] ZINC001246564890 988013878 /nfs/dbraw/zinc/01/38/78/988013878.db2.gz GQQAROKMJXOFHR-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCSC2)CCC[C@H]1C[NH3+] ZINC001246563993 988015396 /nfs/dbraw/zinc/01/53/96/988015396.db2.gz DOTMTCXXTDMRRH-GRYCIOLGSA-N 2 1 228.405 1.799 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563947 988017010 /nfs/dbraw/zinc/01/70/10/988017010.db2.gz YHIVVAFXSXOVBQ-YIYPIFLZSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1F ZINC001246572637 988063971 /nfs/dbraw/zinc/06/39/71/988063971.db2.gz OTFVNBNMTZVLOP-OCIKQUFWSA-N 2 1 226.339 1.949 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1F ZINC001246572637 988063985 /nfs/dbraw/zinc/06/39/85/988063985.db2.gz OTFVNBNMTZVLOP-OCIKQUFWSA-N 2 1 226.339 1.949 20 0 BDADMP C[C@H]1C[N@H+](C2CCOCC2)CCC[C@H]1C[NH3+] ZINC001246573047 988072497 /nfs/dbraw/zinc/07/24/97/988072497.db2.gz YSIPBAQRBGQHTL-RYUDHWBXSA-N 2 1 226.364 1.472 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246575210 988079830 /nfs/dbraw/zinc/07/98/30/988079830.db2.gz ZVKWODHSQUVTHD-QNWHQSFQSA-N 2 1 244.354 1.705 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246575210 988079836 /nfs/dbraw/zinc/07/98/36/988079836.db2.gz ZVKWODHSQUVTHD-QNWHQSFQSA-N 2 1 244.354 1.705 20 0 BDADMP C[C@@]1(CF)CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC001246576618 988080982 /nfs/dbraw/zinc/08/09/82/988080982.db2.gz LVINYFZXCCYERD-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@]1(CF)CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC001246576618 988080995 /nfs/dbraw/zinc/08/09/95/988080995.db2.gz LVINYFZXCCYERD-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578789 988101288 /nfs/dbraw/zinc/10/12/88/988101288.db2.gz CDRDBMXQOIDGNI-MJBXVCDLSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578789 988101307 /nfs/dbraw/zinc/10/13/07/988101307.db2.gz CDRDBMXQOIDGNI-MJBXVCDLSA-N 3 1 239.407 1.578 20 0 BDADMP CCCC(CCC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579826 988104604 /nfs/dbraw/zinc/10/46/04/988104604.db2.gz HEESHTSCDFQATD-CMPLNLGQSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCCOC2)C1 ZINC001246583757 988124326 /nfs/dbraw/zinc/12/43/26/988124326.db2.gz KIGFZWJEYJOPOZ-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCCOC2)C1 ZINC001246583760 988126773 /nfs/dbraw/zinc/12/67/73/988126773.db2.gz KIGFZWJEYJOPOZ-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CCCC1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583302 988128097 /nfs/dbraw/zinc/12/80/97/988128097.db2.gz JMEMYPRJIHJTHR-YIOUJQMASA-N 2 1 240.391 1.597 20 0 BDADMP CC1(C)C[C@H](N2CCC(F)(F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246583742 988128667 /nfs/dbraw/zinc/12/86/67/988128667.db2.gz RSIDYRRYXPMHLI-NXEZZACHSA-N 2 1 247.333 1.185 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246582823 988129358 /nfs/dbraw/zinc/12/93/58/988129358.db2.gz TZEOVWBWUSEMBJ-UPJWGTAASA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246582823 988129369 /nfs/dbraw/zinc/12/93/69/988129369.db2.gz TZEOVWBWUSEMBJ-UPJWGTAASA-N 2 1 244.354 1.707 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246585653 988139283 /nfs/dbraw/zinc/13/92/83/988139283.db2.gz PNNPOVRMZBZDOJ-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@H]([N@@H+]2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246585653 988139291 /nfs/dbraw/zinc/13/92/91/988139291.db2.gz PNNPOVRMZBZDOJ-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246585653 988139306 /nfs/dbraw/zinc/13/93/06/988139306.db2.gz PNNPOVRMZBZDOJ-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP CCC(CC)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246586696 988145420 /nfs/dbraw/zinc/14/54/20/988145420.db2.gz MZODBIBQZDILOI-MNOVXSKESA-N 2 1 202.317 1.936 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(CO)CC2)CC[NH2+]1 ZINC001246587706 988144136 /nfs/dbraw/zinc/14/41/36/988144136.db2.gz IMNLFICENMEXTP-FRRDWIJNSA-N 2 1 244.354 1.313 20 0 BDADMP CCC(CC)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246586696 988145404 /nfs/dbraw/zinc/14/54/04/988145404.db2.gz MZODBIBQZDILOI-MNOVXSKESA-N 2 1 202.317 1.936 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246590335 988162530 /nfs/dbraw/zinc/16/25/30/988162530.db2.gz SKCKKNFFUBYMSJ-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590044 988170027 /nfs/dbraw/zinc/17/00/27/988170027.db2.gz HWZNFPZPHMWWJA-CSHRUCKSSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590044 988170040 /nfs/dbraw/zinc/17/00/40/988170040.db2.gz HWZNFPZPHMWWJA-CSHRUCKSSA-N 3 1 237.391 1.329 20 0 BDADMP CC1(C)C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@](C)(CO)C1 ZINC001246591677 988175161 /nfs/dbraw/zinc/17/51/61/988175161.db2.gz WWDLVOAPPWQKKN-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C)[NH2+]C2)C[C@@]1(C)O ZINC001246595092 988184638 /nfs/dbraw/zinc/18/46/38/988184638.db2.gz XULXIWZQVSFOIM-MROQNXINSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C)[NH2+]C2)C[C@@]1(C)O ZINC001246595092 988184651 /nfs/dbraw/zinc/18/46/51/988184651.db2.gz XULXIWZQVSFOIM-MROQNXINSA-N 2 1 226.364 1.220 20 0 BDADMP CC1(C[NH3+])C[NH+](C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246595367 988188615 /nfs/dbraw/zinc/18/86/15/988188615.db2.gz HKRFLUSCXOFTRS-UWVGGRQHSA-N 2 1 222.332 1.025 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CO1 ZINC001246607615 988231276 /nfs/dbraw/zinc/23/12/76/988231276.db2.gz GTYDLKRBCWDGST-TZMCWYRMSA-N 2 1 238.375 1.772 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)CO1 ZINC001246607615 988231297 /nfs/dbraw/zinc/23/12/97/988231297.db2.gz GTYDLKRBCWDGST-TZMCWYRMSA-N 2 1 238.375 1.772 20 0 BDADMP C1CC2(CCCCC2)[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246610512 988244455 /nfs/dbraw/zinc/24/44/55/988244455.db2.gz BGFPZKFBBDSNEB-CYBMUJFWSA-N 2 1 249.402 1.489 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246622178 988268520 /nfs/dbraw/zinc/26/85/20/988268520.db2.gz FWNSZZWMHLWQEO-QNWHQSFQSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246622178 988268544 /nfs/dbraw/zinc/26/85/44/988268544.db2.gz FWNSZZWMHLWQEO-QNWHQSFQSA-N 2 1 224.348 1.095 20 0 BDADMP CCCCC[C@@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246624613 988277381 /nfs/dbraw/zinc/27/73/81/988277381.db2.gz OBGNJTSECSMZGV-ZIAGYGMSSA-N 2 1 239.407 1.593 20 0 BDADMP CCCC[C@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246627244 988289517 /nfs/dbraw/zinc/28/95/17/988289517.db2.gz UNZKKKPVFBQGPX-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP C1CC12CCC(N1CC[NH2+]C[C@]13CC[NH2+]C3)CC2 ZINC001246627248 988295973 /nfs/dbraw/zinc/29/59/73/988295973.db2.gz UNZNGTZQMDQUDP-OAHLLOKOSA-N 2 1 249.402 1.347 20 0 BDADMP CC[C@H]1C[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246629713 988301806 /nfs/dbraw/zinc/30/18/06/988301806.db2.gz FZABYFZXUGTVPB-ZDEQEGDKSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)C[NH2+]1 ZINC001246630152 988303892 /nfs/dbraw/zinc/30/38/92/988303892.db2.gz HICXIBDCTQHPCA-DBIOUOCHSA-N 2 1 230.302 1.714 20 0 BDADMP C1C[C@H]2CC([N@H+]3CCC4(C3)CC[NH2+]CC4)C[C@@H]1[NH2+]2 ZINC001246639560 988334639 /nfs/dbraw/zinc/33/46/39/988334639.db2.gz PGMNGCCCLICQEZ-PBWFPOADSA-N 3 1 249.402 1.345 20 0 BDADMP CC(C)CC[C@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642958 988351520 /nfs/dbraw/zinc/35/15/20/988351520.db2.gz NQUBCXVLGLEJDH-KBPBESRZSA-N 2 1 239.407 1.448 20 0 BDADMP CCCC[C@@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645073 988356236 /nfs/dbraw/zinc/35/62/36/988356236.db2.gz SUDBVWPDLYQOBX-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646566 988364291 /nfs/dbraw/zinc/36/42/91/988364291.db2.gz GBPIRACEPMWVEB-UKRRQHHQSA-N 3 1 249.402 1.347 20 0 BDADMP C1[NH2+]CC12CC[C@@H](N1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646566 988364299 /nfs/dbraw/zinc/36/42/99/988364299.db2.gz GBPIRACEPMWVEB-UKRRQHHQSA-N 2 1 249.402 1.347 20 0 BDADMP C1C[C@]2(CO1)CCC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246648195 988369876 /nfs/dbraw/zinc/36/98/76/988369876.db2.gz PDZOITXIBOTHOD-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@]2(CO1)CCC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246648195 988369887 /nfs/dbraw/zinc/36/98/87/988369887.db2.gz PDZOITXIBOTHOD-CHWSQXEVSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@H]2C[N@H+](C3CCC4(CC[NH2+]C4)CC3)C[C@H]2[NH2+]1 ZINC001246650487 988379508 /nfs/dbraw/zinc/37/95/08/988379508.db2.gz IQOSBIVPVKHUTA-FGZQJIAISA-N 3 1 249.402 1.202 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH2+]1 ZINC001246667842 988410977 /nfs/dbraw/zinc/41/09/77/988410977.db2.gz VXSNNRSPFFIRAA-RNJOBUHISA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1CC[C@@H](N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C[NH2+]1 ZINC001246700467 988446861 /nfs/dbraw/zinc/44/68/61/988446861.db2.gz JBRFXEKOPLWZMZ-RFQIPJPRSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700467 988446869 /nfs/dbraw/zinc/44/68/69/988446869.db2.gz JBRFXEKOPLWZMZ-RFQIPJPRSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700467 988446877 /nfs/dbraw/zinc/44/68/77/988446877.db2.gz JBRFXEKOPLWZMZ-RFQIPJPRSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700467 988446883 /nfs/dbraw/zinc/44/68/83/988446883.db2.gz JBRFXEKOPLWZMZ-RFQIPJPRSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700467 988446891 /nfs/dbraw/zinc/44/68/91/988446891.db2.gz JBRFXEKOPLWZMZ-RFQIPJPRSA-N 3 1 237.391 1.010 20 0 BDADMP CC[C@H]1CNCC[N@H+]1C1CCC([NH2+]C)CC1 ZINC001246796438 988476087 /nfs/dbraw/zinc/47/60/87/988476087.db2.gz BBPVWWCLVZWWTC-CPCZMJQVSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@H]1C[NH2+]CCN1C1CCC([NH2+]C)CC1 ZINC001246796438 988476107 /nfs/dbraw/zinc/47/61/07/988476107.db2.gz BBPVWWCLVZWWTC-CPCZMJQVSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCO3)CC2)CC[NH2+]1 ZINC001246803831 988483389 /nfs/dbraw/zinc/48/33/89/988483389.db2.gz DLXSJMZXSCPYGB-OLZOCXBDSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810480 988491096 /nfs/dbraw/zinc/49/10/96/988491096.db2.gz WZCYFCKQILXWKC-LBELIVKGSA-N 3 1 223.364 1.081 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810480 988491104 /nfs/dbraw/zinc/49/11/04/988491104.db2.gz WZCYFCKQILXWKC-LBELIVKGSA-N 3 1 223.364 1.081 20 0 BDADMP CCOC(=O)[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246814997 988495836 /nfs/dbraw/zinc/49/58/36/988495836.db2.gz BIRZVLPKYKSCNS-TUAOUCFPSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](n3cncn3)C2)CC[NH2+]1 ZINC001246823117 988510273 /nfs/dbraw/zinc/51/02/73/988510273.db2.gz NCKOUQSDHKELDE-AGIUHOORSA-N 2 1 249.362 1.056 20 0 BDADMP c1cncc(C2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC001246842983 988548121 /nfs/dbraw/zinc/54/81/21/988548121.db2.gz SIZBCQRECXYCQH-YIONKMFJSA-N 2 1 243.354 1.764 20 0 BDADMP C[N@@H+](CC1CCCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246844169 988553996 /nfs/dbraw/zinc/55/39/96/988553996.db2.gz XULJNUIXRAUDJY-ZDUSSCGKSA-N 2 1 237.391 1.202 20 0 BDADMP CCSC[C@H](C)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246857001 988576862 /nfs/dbraw/zinc/57/68/62/988576862.db2.gz YLSYNCGNKMCWKI-DCAQKATOSA-N 2 1 214.378 1.551 20 0 BDADMP CCSC[C@H](C)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246857001 988576869 /nfs/dbraw/zinc/57/68/69/988576869.db2.gz YLSYNCGNKMCWKI-DCAQKATOSA-N 2 1 214.378 1.551 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CC[C@H](C)[NH2+]C3)C[C@H]12 ZINC001246854997 988579740 /nfs/dbraw/zinc/57/97/40/988579740.db2.gz RTVZPGGHZKPWJG-KSSYENDESA-N 2 1 224.348 1.094 20 0 BDADMP CCOC1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246860587 988599908 /nfs/dbraw/zinc/59/99/08/988599908.db2.gz NHAGWQIEPHKEEN-BLYZHGLHSA-N 2 1 238.375 1.757 20 0 BDADMP CCC(CC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246861935 988603460 /nfs/dbraw/zinc/60/34/60/988603460.db2.gz ROBHBGCPXSGLEF-DHHPTOIESA-N 2 1 212.337 1.081 20 0 BDADMP CC1(C)CC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861980 988604448 /nfs/dbraw/zinc/60/44/48/988604448.db2.gz SUPBWNBYOOSWNS-FXJUQPSGSA-N 2 1 238.375 1.471 20 0 BDADMP CC1(C)C[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001246865179 988606336 /nfs/dbraw/zinc/60/63/36/988606336.db2.gz YIEQNGPUFPSKIR-NQBHXWOUSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246863546 988611445 /nfs/dbraw/zinc/61/14/45/988611445.db2.gz YKOAAXXRYVQURV-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246863546 988611455 /nfs/dbraw/zinc/61/14/55/988611455.db2.gz YKOAAXXRYVQURV-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP CC1(C)CC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC(C)(C)O1 ZINC001246866058 988622683 /nfs/dbraw/zinc/62/26/83/988622683.db2.gz DZPXRAZYEJSBRQ-HZMBPMFUSA-N 2 1 238.375 1.756 20 0 BDADMP CC1(C)CC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC(C)(C)O1 ZINC001246866058 988622708 /nfs/dbraw/zinc/62/27/08/988622708.db2.gz DZPXRAZYEJSBRQ-HZMBPMFUSA-N 2 1 238.375 1.756 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH2+]1 ZINC001246874893 988643828 /nfs/dbraw/zinc/64/38/28/988643828.db2.gz WNZARWZSHAGUDY-ROHXPCBUSA-N 2 1 212.312 1.274 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246875354 988645090 /nfs/dbraw/zinc/64/50/90/988645090.db2.gz KLUZLRDMMBAJES-VJBQPNPTSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC[NH2+]1 ZINC001246874892 988646588 /nfs/dbraw/zinc/64/65/88/988646588.db2.gz WNZARWZSHAGUDY-OOCWMUITSA-N 2 1 212.312 1.274 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246887307 988656526 /nfs/dbraw/zinc/65/65/26/988656526.db2.gz LJVJYMMMKJAFPV-CHWSQXEVSA-N 2 1 237.391 1.201 20 0 BDADMP CC[N@H+](CCNC)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246890294 988658082 /nfs/dbraw/zinc/65/80/82/988658082.db2.gz IPJIFPVEBSSUMG-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CCNC)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246890294 988658089 /nfs/dbraw/zinc/65/80/89/988658089.db2.gz IPJIFPVEBSSUMG-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP C1CC1[C@@H]1COCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246895575 988669835 /nfs/dbraw/zinc/66/98/35/988669835.db2.gz UZWNGNOIVCZLDM-PIGZVRMJSA-N 2 1 236.359 1.380 20 0 BDADMP C1CC1[C@@H]1COCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246895575 988669830 /nfs/dbraw/zinc/66/98/30/988669830.db2.gz UZWNGNOIVCZLDM-PIGZVRMJSA-N 2 1 236.359 1.380 20 0 BDADMP C1[C@@H]2[C@H]1CCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246904145 988682192 /nfs/dbraw/zinc/68/21/92/988682192.db2.gz FFDBIQRYGDFREP-GVWAJWJKSA-N 2 1 206.333 1.754 20 0 BDADMP C1[C@@H]2[C@H]1CCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246904145 988682200 /nfs/dbraw/zinc/68/22/00/988682200.db2.gz FFDBIQRYGDFREP-GVWAJWJKSA-N 2 1 206.333 1.754 20 0 BDADMP C[C@@H]1C[C@H](N2CC[C@H]([N@@H+](C)C3CC3)C2)CC[NH2+]1 ZINC001246910124 988691777 /nfs/dbraw/zinc/69/17/77/988691777.db2.gz KNDPNGYDPIATKX-BNOWGMLFSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+](CCO)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246910710 988691835 /nfs/dbraw/zinc/69/18/35/988691835.db2.gz CPIFDXHOOUWNAW-WDEREUQCSA-N 2 1 214.353 1.077 20 0 BDADMP COC(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246910641 988692448 /nfs/dbraw/zinc/69/24/48/988692448.db2.gz BDWNJXGEGIVEBS-JQWIXIFHSA-N 2 1 240.347 1.154 20 0 BDADMP NC[C@H]1CCC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246917612 988718215 /nfs/dbraw/zinc/71/82/15/988718215.db2.gz RQOGZSDQEAITFE-MGPQQGTHSA-N 2 1 237.391 1.332 20 0 BDADMP Cc1ncccc1C[N@@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246919974 988732698 /nfs/dbraw/zinc/73/26/98/988732698.db2.gz XPIAJJBRXVYGIC-BXUZGUMPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[N@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246919974 988732713 /nfs/dbraw/zinc/73/27/13/988732713.db2.gz XPIAJJBRXVYGIC-BXUZGUMPSA-N 2 1 233.359 1.962 20 0 BDADMP C[NH2+]C1CCC(N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC001246968645 988798831 /nfs/dbraw/zinc/79/88/31/988798831.db2.gz MUBYZESXPPOLPH-OKZRHMCRSA-N 2 1 225.380 1.199 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246974900 988807152 /nfs/dbraw/zinc/80/71/52/988807152.db2.gz SOIMOMXZDUTLMU-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H](N)C[N@@H+](C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246974900 988807148 /nfs/dbraw/zinc/80/71/48/988807148.db2.gz SOIMOMXZDUTLMU-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCc2ncsc2C1 ZINC001246980047 988809288 /nfs/dbraw/zinc/80/92/88/988809288.db2.gz HGJOOHLKWLCKFY-IUCAKERBSA-N 2 1 225.361 1.279 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCc2ncsc2C1 ZINC001246980047 988809299 /nfs/dbraw/zinc/80/92/99/988809299.db2.gz HGJOOHLKWLCKFY-IUCAKERBSA-N 2 1 225.361 1.279 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246991481 988824258 /nfs/dbraw/zinc/82/42/58/988824258.db2.gz TZTGIXLJTABKGZ-RFQIPJPRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246991481 988824262 /nfs/dbraw/zinc/82/42/62/988824262.db2.gz TZTGIXLJTABKGZ-RFQIPJPRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017136 988844744 /nfs/dbraw/zinc/84/47/44/988844744.db2.gz ZVSNLINUDRTWSX-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017136 988844745 /nfs/dbraw/zinc/84/47/45/988844745.db2.gz ZVSNLINUDRTWSX-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]Cc1nc2cc(F)c(-n3ccnc3)cc2[nH]1 ZINC001247020770 988845478 /nfs/dbraw/zinc/84/54/78/988845478.db2.gz OULGDLHIEJXZAY-UHFFFAOYSA-N 2 1 231.234 1.346 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCC3CC3)CC[C@H]21 ZINC001119317386 988937691 /nfs/dbraw/zinc/93/76/91/988937691.db2.gz LYQKQENWBJVRSS-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCOCC3CC3)CC[C@H]21 ZINC001119317386 988937706 /nfs/dbraw/zinc/93/77/06/988937706.db2.gz LYQKQENWBJVRSS-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCOCC3CC3)CC[C@H]21 ZINC001119317386 988937721 /nfs/dbraw/zinc/93/77/21/988937721.db2.gz LYQKQENWBJVRSS-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCC3CC3)CC[C@H]21 ZINC001119317386 988937735 /nfs/dbraw/zinc/93/77/35/988937735.db2.gz LYQKQENWBJVRSS-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC001325718159 989238484 /nfs/dbraw/zinc/23/84/84/989238484.db2.gz QQENGEMTFHJQIE-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC001120052593 989581710 /nfs/dbraw/zinc/58/17/10/989581710.db2.gz YECFHWYTFSRZOL-CQSZACIVSA-N 2 1 238.375 1.175 20 0 BDADMP Nc1cc(NC2CC[NH+](CC3CC3)CC2)nc[nH+]1 ZINC001326515141 989591982 /nfs/dbraw/zinc/59/19/82/989591982.db2.gz VVSCCZPFFGRKFH-UHFFFAOYSA-N 2 1 247.346 1.345 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1 ZINC001120779729 989878030 /nfs/dbraw/zinc/87/80/30/989878030.db2.gz NMMHRSRSMYUKRD-TZMCWYRMSA-N 2 1 247.342 1.381 20 0 BDADMP CC(C)[NH2+]C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001120812110 989895520 /nfs/dbraw/zinc/89/55/20/989895520.db2.gz JODLHUGNPAJZNO-UHFFFAOYSA-N 2 1 235.335 1.026 20 0 BDADMP CC1(C)CCC[N@H+](CCNc2cc[nH+]c(N)n2)C1 ZINC001120927429 989971537 /nfs/dbraw/zinc/97/15/37/989971537.db2.gz RMIWIGONIHTYRH-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP CC1(C)CCC[N@@H+](CCNc2cc[nH+]c(N)n2)C1 ZINC001120927429 989971543 /nfs/dbraw/zinc/97/15/43/989971543.db2.gz RMIWIGONIHTYRH-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001308553894 991035581 /nfs/dbraw/zinc/03/55/81/991035581.db2.gz NFQCTMJCBBBDIA-RWMBFGLXSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001308553894 991035594 /nfs/dbraw/zinc/03/55/94/991035594.db2.gz NFQCTMJCBBBDIA-RWMBFGLXSA-N 2 1 248.374 1.158 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001308556534 991037154 /nfs/dbraw/zinc/03/71/54/991037154.db2.gz AYMAZPQTMFGUGI-OUCADQQQSA-N 2 1 247.342 1.557 20 0 BDADMP Fc1ncccc1C[N@@H+]1CCc2nccn2CC1 ZINC001138793274 991058544 /nfs/dbraw/zinc/05/85/44/991058544.db2.gz GRBHMHYCIXDOJS-UHFFFAOYSA-N 2 1 246.289 1.476 20 0 BDADMP Fc1ncccc1CN1CCc2nccn2CC1 ZINC001138793274 991058548 /nfs/dbraw/zinc/05/85/48/991058548.db2.gz GRBHMHYCIXDOJS-UHFFFAOYSA-N 2 1 246.289 1.476 20 0 BDADMP C[C@@H](Cc1ccco1)[N@H+](C)C(C)(C)C[NH3+] ZINC001258177494 991078325 /nfs/dbraw/zinc/07/83/25/991078325.db2.gz WBXHXJRAZGYUDV-JTQLQIEISA-N 2 1 210.321 1.880 20 0 BDADMP C[C@@H](Cc1ccco1)[N@@H+](C)C(C)(C)C[NH3+] ZINC001258177494 991078333 /nfs/dbraw/zinc/07/83/33/991078333.db2.gz WBXHXJRAZGYUDV-JTQLQIEISA-N 2 1 210.321 1.880 20 0 BDADMP COC(=O)CC[C@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001258348214 991255613 /nfs/dbraw/zinc/25/56/13/991255613.db2.gz JUWRSLUAKDEBKP-NSHDSACASA-N 2 1 230.352 1.387 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCC(=O)OC ZINC001258376681 991331492 /nfs/dbraw/zinc/33/14/92/991331492.db2.gz HAQDFOVHTMZSLS-LBPRGKRZSA-N 2 1 244.379 1.602 20 0 BDADMP CCCCC[C@H](CC)[N@H+](CC[NH3+])CCO ZINC001258429575 991352141 /nfs/dbraw/zinc/35/21/41/991352141.db2.gz ZBGPIBJUULOJNK-LBPRGKRZSA-N 2 1 216.369 1.598 20 0 BDADMP CCCCC[C@H](CC)[N@@H+](CC[NH3+])CCO ZINC001258429575 991352153 /nfs/dbraw/zinc/35/21/53/991352153.db2.gz ZBGPIBJUULOJNK-LBPRGKRZSA-N 2 1 216.369 1.598 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3ccnnc3)C2)CC1 ZINC001139985128 991464130 /nfs/dbraw/zinc/46/41/30/991464130.db2.gz LVJAEGAQTISMLZ-UHFFFAOYSA-N 2 1 232.331 1.004 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCSCC3)[C@@H]2C1 ZINC001560623515 991526470 /nfs/dbraw/zinc/52/64/70/991526470.db2.gz ZPRGEOYSTALLFM-UHTWSYAYSA-N 2 1 240.416 1.812 20 0 BDADMP CCCC[C@H](CCC)[N@H+](CC[NH3+])CCO ZINC001258753202 991696280 /nfs/dbraw/zinc/69/62/80/991696280.db2.gz VRXHIKAAZQSRFV-LBPRGKRZSA-N 2 1 216.369 1.598 20 0 BDADMP CCCC[C@H](CCC)[N@@H+](CC[NH3+])CCO ZINC001258753202 991696287 /nfs/dbraw/zinc/69/62/87/991696287.db2.gz VRXHIKAAZQSRFV-LBPRGKRZSA-N 2 1 216.369 1.598 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001258775639 991736194 /nfs/dbraw/zinc/73/61/94/991736194.db2.gz XFBJGMRCUUTLOB-STQMWFEESA-N 2 1 224.348 1.334 20 0 BDADMP CCC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001258775639 991736200 /nfs/dbraw/zinc/73/62/00/991736200.db2.gz XFBJGMRCUUTLOB-STQMWFEESA-N 2 1 224.348 1.334 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001258772302 991742443 /nfs/dbraw/zinc/74/24/43/991742443.db2.gz MQXQNNNSHHNEER-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC([N@H+](CC)CC(C)(C)O)CC1 ZINC001258776022 991744809 /nfs/dbraw/zinc/74/48/09/991744809.db2.gz PNJHDDGDRDSRNW-UHFFFAOYSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH+]1CCC([N@@H+](CC)CC(C)(C)O)CC1 ZINC001258776022 991744820 /nfs/dbraw/zinc/74/48/20/991744820.db2.gz PNJHDDGDRDSRNW-UHFFFAOYSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)[C@H]1CCOC1 ZINC001319394423 991857412 /nfs/dbraw/zinc/85/74/12/991857412.db2.gz PJLALAGFRSMCRJ-FQUUOJAGSA-N 2 1 240.391 1.874 20 0 BDADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1F ZINC001261483269 992325808 /nfs/dbraw/zinc/32/58/08/992325808.db2.gz OJIAJALXRZFKGE-UHFFFAOYSA-N 2 1 238.306 1.756 20 0 BDADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1F ZINC001261483269 992325821 /nfs/dbraw/zinc/32/58/21/992325821.db2.gz OJIAJALXRZFKGE-UHFFFAOYSA-N 2 1 238.306 1.756 20 0 BDADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)C(C)C ZINC001569145609 992329835 /nfs/dbraw/zinc/32/98/35/992329835.db2.gz MOCSQWZVZKMUEL-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC001569145609 992329839 /nfs/dbraw/zinc/32/98/39/992329839.db2.gz MOCSQWZVZKMUEL-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC001569145609 992329850 /nfs/dbraw/zinc/32/98/50/992329850.db2.gz MOCSQWZVZKMUEL-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC001261577559 992401695 /nfs/dbraw/zinc/40/16/95/992401695.db2.gz CBLKFFMXOFKJOC-LBPRGKRZSA-N 2 1 238.379 1.047 20 0 BDADMP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC001573506883 992626590 /nfs/dbraw/zinc/62/65/90/992626590.db2.gz VAIIWSHPKPHTFG-BFHYXJOUSA-N 2 1 240.391 1.922 20 0 BDADMP CN1CCN(CC2CC[NH2+]CC2)c2ccc[nH+]c21 ZINC001573885200 992750470 /nfs/dbraw/zinc/75/04/70/992750470.db2.gz ONRWQWORVUTHGF-UHFFFAOYSA-N 2 1 246.358 1.337 20 0 BDADMP C(C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH2+]C1CC1 ZINC001574775261 992903644 /nfs/dbraw/zinc/90/36/44/992903644.db2.gz YETAACFHWXZEDK-QSLWVIQJSA-N 2 1 236.359 1.142 20 0 BDADMP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001574801503 992912610 /nfs/dbraw/zinc/91/26/10/992912610.db2.gz QMYANWCGVQZENL-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP CC(=O)C[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001574979773 992957122 /nfs/dbraw/zinc/95/71/22/992957122.db2.gz CZINCNIZMMNBBZ-VXGBXAGGSA-N 2 1 210.321 1.026 20 0 BDADMP CC(=O)C[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001574979773 992957131 /nfs/dbraw/zinc/95/71/31/992957131.db2.gz CZINCNIZMMNBBZ-VXGBXAGGSA-N 2 1 210.321 1.026 20 0 BDADMP CC(C)(C[NH2+][C@@H]1CCC[NH2+]C1)C1=CCOCC1 ZINC001575335005 993014809 /nfs/dbraw/zinc/01/48/09/993014809.db2.gz YPHRNPRJXTZXTO-CYBMUJFWSA-N 2 1 238.375 1.701 20 0 BDADMP C[C@H](CNc1cc[nH+]c(N)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC001262679005 993021732 /nfs/dbraw/zinc/02/17/32/993021732.db2.gz WXIVYFIIGZOGBS-GHMZBOCLSA-N 2 1 249.362 1.591 20 0 BDADMP C[C@H](CNc1cc[nH+]c(N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC001262679005 993021737 /nfs/dbraw/zinc/02/17/37/993021737.db2.gz WXIVYFIIGZOGBS-GHMZBOCLSA-N 2 1 249.362 1.591 20 0 BDADMP CC(C)C(C[N@H+](CC[NH3+])CCO)C(C)C ZINC001575422554 993040337 /nfs/dbraw/zinc/04/03/37/993040337.db2.gz KVSWAZQCRUZXMV-UHFFFAOYSA-N 2 1 216.369 1.168 20 0 BDADMP CC(C)C(C[N@@H+](CC[NH3+])CCO)C(C)C ZINC001575422554 993040343 /nfs/dbraw/zinc/04/03/43/993040343.db2.gz KVSWAZQCRUZXMV-UHFFFAOYSA-N 2 1 216.369 1.168 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cnc2cnccn12 ZINC001575418844 993040982 /nfs/dbraw/zinc/04/09/82/993040982.db2.gz YQIKUTRZXPYMCQ-ZDUSSCGKSA-N 2 1 247.346 1.192 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCc2ccc(O)cc2C1 ZINC001575421950 993041195 /nfs/dbraw/zinc/04/11/95/993041195.db2.gz DEXRIZDMFBXKMC-AWEZNQCLSA-N 2 1 248.370 1.981 20 0 BDADMP CC(C)[C@@]1(CO)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001575495771 993055843 /nfs/dbraw/zinc/05/58/43/993055843.db2.gz CQGGVWLEGJMKMH-KGLIPLIRSA-N 2 1 240.391 1.326 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575618910 993085847 /nfs/dbraw/zinc/08/58/47/993085847.db2.gz PMYIAYGUVHTUBZ-IUCAKERBSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)OC(=O)C(C)(C)[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575738167 993102064 /nfs/dbraw/zinc/10/20/64/993102064.db2.gz PZWQVUSZHBJOHO-WDEREUQCSA-N 2 1 242.363 1.434 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC000378665153 993198995 /nfs/dbraw/zinc/19/89/95/993198995.db2.gz FPNRRQKTWLYURO-RWMBFGLXSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cn(C)nn2)cc1 ZINC001576168307 993202390 /nfs/dbraw/zinc/20/23/90/993202390.db2.gz JPECEHZSEYYHET-SNVBAGLBSA-N 2 1 245.330 1.125 20 0 BDADMP C[C@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1CCCOC1 ZINC001576234240 993224248 /nfs/dbraw/zinc/22/42/48/993224248.db2.gz URQRQSQYGLDURL-VHSXEESVSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001576263132 993239808 /nfs/dbraw/zinc/23/98/08/993239808.db2.gz FVNOENRFSIUPOI-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001576267582 993240935 /nfs/dbraw/zinc/24/09/35/993240935.db2.gz WYPUQDHSRUPYDN-ZDEQEGDKSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H](c1nccc(N)n1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576314029 993258803 /nfs/dbraw/zinc/25/88/03/993258803.db2.gz CPWRFJRARZDWAV-JTQLQIEISA-N 2 1 249.362 1.051 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CCCCO1 ZINC001576504003 993324653 /nfs/dbraw/zinc/32/46/53/993324653.db2.gz ZZOAXTNDJDBGLQ-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)CCC[NH2+]C1 ZINC001576503908 993326527 /nfs/dbraw/zinc/32/65/27/993326527.db2.gz XGDJALDFHYETRI-WOPDTQHZSA-N 2 1 244.329 1.963 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CC[C@@H]2C2CC2)C[NH2+]CCO1 ZINC001576519432 993329917 /nfs/dbraw/zinc/32/99/17/993329917.db2.gz OZBBPCAVLMGWMX-FRRDWIJNSA-N 2 1 224.348 1.143 20 0 BDADMP C[C@@]1(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C[NH2+]CCO1 ZINC001576519103 993331525 /nfs/dbraw/zinc/33/15/25/993331525.db2.gz KGCTYOISQWSAGO-RVMXOQNASA-N 2 1 224.348 1.143 20 0 BDADMP C[C@@]1([NH2+]C[C@H]2CCC[NH2+]2)CCO[C@@H]1C1CC1 ZINC001576546054 993339088 /nfs/dbraw/zinc/33/90/88/993339088.db2.gz YMQJVYCZUJRNKQ-JHJVBQTASA-N 2 1 224.348 1.286 20 0 BDADMP CC1=CC[C@H]([NH2+]C[C@@]2(C)C[NH2+]CCO2)CC1 ZINC001576556328 993341779 /nfs/dbraw/zinc/34/17/79/993341779.db2.gz OWXAEJKJFCSTIA-QWHCGFSZSA-N 2 1 224.348 1.453 20 0 BDADMP C[C@@H]1C(=O)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576566034 993347323 /nfs/dbraw/zinc/34/73/23/993347323.db2.gz XOLGSRDXIFLSOJ-OUAUKWLOSA-N 2 1 210.321 1.167 20 0 BDADMP C[C@@H]1C(=O)CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576566034 993347330 /nfs/dbraw/zinc/34/73/30/993347330.db2.gz XOLGSRDXIFLSOJ-OUAUKWLOSA-N 2 1 210.321 1.167 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001576574811 993351626 /nfs/dbraw/zinc/35/16/26/993351626.db2.gz YUIDATYYBBHZBL-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](CC2=NOCC2)C[C@@H]1C[NH3+] ZINC001576595471 993360171 /nfs/dbraw/zinc/36/01/71/993360171.db2.gz IAKBJMJXIOGXAO-VWYCJHECSA-N 2 1 225.336 1.068 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC2=NOCC2)C[C@@H]1C[NH3+] ZINC001576595471 993360182 /nfs/dbraw/zinc/36/01/82/993360182.db2.gz IAKBJMJXIOGXAO-VWYCJHECSA-N 2 1 225.336 1.068 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC001576623981 993373557 /nfs/dbraw/zinc/37/35/57/993373557.db2.gz NPUHFCDOYVARFE-RVMXOQNASA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCN1C ZINC001576623981 993373560 /nfs/dbraw/zinc/37/35/60/993373560.db2.gz NPUHFCDOYVARFE-RVMXOQNASA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CC1=NOCC1)CC[NH2+]CC2 ZINC001576637187 993379433 /nfs/dbraw/zinc/37/94/33/993379433.db2.gz HETCVTGXKUHDAY-LLVKDONJSA-N 2 1 237.347 1.227 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@H+](C)C2)C1 ZINC000381374414 993388095 /nfs/dbraw/zinc/38/80/95/993388095.db2.gz JGTCPUHYPITNCE-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](C)C2)C1 ZINC000381374414 993388099 /nfs/dbraw/zinc/38/80/99/993388099.db2.gz JGTCPUHYPITNCE-RWMBFGLXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC001576729712 993408382 /nfs/dbraw/zinc/40/83/82/993408382.db2.gz WOOFAFUXVZMJER-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H]1CO ZINC001576732466 993410159 /nfs/dbraw/zinc/41/01/59/993410159.db2.gz VBDSLAOWKLIAFQ-MROQNXINSA-N 2 1 226.364 1.064 20 0 BDADMP c1cn2c([nH+]1)C[C@H](Nc1cc[nH+]cc1)CC2 ZINC000381609811 993410555 /nfs/dbraw/zinc/41/05/55/993410555.db2.gz SKJRQUUBDSTSRC-LLVKDONJSA-N 2 1 214.272 1.127 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001576748670 993413113 /nfs/dbraw/zinc/41/31/13/993413113.db2.gz KTDPFPDNEMRXFX-YRGRVCCFSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001576854453 993436109 /nfs/dbraw/zinc/43/61/09/993436109.db2.gz MVZUKEXAFHFCGR-IRCOFANPSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC001576860780 993439054 /nfs/dbraw/zinc/43/90/54/993439054.db2.gz LTTOOGMZZDEVGD-BBBLOLIVSA-N 2 1 214.378 1.326 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC001576967738 993468611 /nfs/dbraw/zinc/46/86/11/993468611.db2.gz WTICSYKAABKKBH-SRVKXCTJSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001576965740 993472416 /nfs/dbraw/zinc/47/24/16/993472416.db2.gz DHJZDVGTYQFIMB-IRCOFANPSA-N 2 1 242.363 1.101 20 0 BDADMP CC[C@H](CCO)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577077813 993495319 /nfs/dbraw/zinc/49/53/19/993495319.db2.gz XDERMBDTTMBICN-BDAKNGLRSA-N 2 1 242.285 1.264 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001577092255 993502457 /nfs/dbraw/zinc/50/24/57/993502457.db2.gz AIYOKZYJQVZLJU-OUAUKWLOSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2nonc2c1 ZINC001577124593 993509825 /nfs/dbraw/zinc/50/98/25/993509825.db2.gz JQYALMGMKIUMKD-VIFPVBQESA-N 2 1 220.276 1.050 20 0 BDADMP CC[C@H]([NH2+]C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001577172185 993525950 /nfs/dbraw/zinc/52/59/50/993525950.db2.gz OEEDMTDKUUPEQR-JTQLQIEISA-N 2 1 238.335 1.147 20 0 BDADMP CC[C@]1(C)C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC001577208866 993544022 /nfs/dbraw/zinc/54/40/22/993544022.db2.gz NOBOUIAPQOVIKP-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CO1 ZINC001577240426 993557666 /nfs/dbraw/zinc/55/76/66/993557666.db2.gz GUZRAXWLQGCBOL-DDHJBXDOSA-N 2 1 212.337 1.284 20 0 BDADMP CC[NH+](CC)C1CCN(CCCC[NH3+])CC1 ZINC000384247259 993567820 /nfs/dbraw/zinc/56/78/20/993567820.db2.gz JWBBGVKDIOVHKO-UHFFFAOYSA-N 2 1 227.396 1.532 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC([NH2+]CC)CC1 ZINC001577370093 993626574 /nfs/dbraw/zinc/62/65/74/993626574.db2.gz XHTDGCOBCOSKPQ-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)C[NH2+]C ZINC001577375251 993627510 /nfs/dbraw/zinc/62/75/10/993627510.db2.gz UPJVYWFYPJCAAE-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC001577404313 993644636 /nfs/dbraw/zinc/64/46/36/993644636.db2.gz SKZIFWSSHRUYEB-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC001577404313 993644645 /nfs/dbraw/zinc/64/46/45/993644645.db2.gz SKZIFWSSHRUYEB-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001577510512 993667233 /nfs/dbraw/zinc/66/72/33/993667233.db2.gz QHGJQGFXTNTCLA-MELADBBJSA-N 2 1 241.423 1.837 20 0 BDADMP CCCCOCC[NH2+]CC12CC(C1)C[NH2+]2 ZINC001577467184 993667251 /nfs/dbraw/zinc/66/72/51/993667251.db2.gz GAFHKRRVXPHCTA-UHFFFAOYSA-N 2 1 212.337 1.145 20 0 BDADMP CCCC[N@@H+]1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001577458046 993668261 /nfs/dbraw/zinc/66/82/61/993668261.db2.gz QBYIERUOFIJBIQ-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[N@H+]1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001577458046 993668266 /nfs/dbraw/zinc/66/82/66/993668266.db2.gz QBYIERUOFIJBIQ-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC23CCOCC3)CC1 ZINC000386949235 993698853 /nfs/dbraw/zinc/69/88/53/993698853.db2.gz WHHYMCIRTLGAHW-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(C[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC001577654715 993708180 /nfs/dbraw/zinc/70/81/80/993708180.db2.gz GUIVDPCXFVXWEO-MNOVXSKESA-N 2 1 247.333 1.010 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC001577655150 993710899 /nfs/dbraw/zinc/71/08/99/993710899.db2.gz SXMYMLBZYKJMJG-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC(C)O[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658428 993898434 /nfs/dbraw/zinc/89/84/34/993898434.db2.gz RXAVVATYAOYZHH-FRRDWIJNSA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000701668406 993899447 /nfs/dbraw/zinc/89/94/47/993899447.db2.gz QHARUQFOSZXJNW-QNMSZWNNSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@](C)(CO)C2)C1 ZINC000702110316 993964727 /nfs/dbraw/zinc/96/47/27/993964727.db2.gz UFRCEXHADDUAAJ-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@](C)(CO)C2)C1 ZINC000702110316 993964735 /nfs/dbraw/zinc/96/47/35/993964735.db2.gz UFRCEXHADDUAAJ-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@](C)(CO)C2)C1 ZINC000702110316 993964746 /nfs/dbraw/zinc/96/47/46/993964746.db2.gz UFRCEXHADDUAAJ-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000702665521 994031627 /nfs/dbraw/zinc/03/16/27/994031627.db2.gz YRGAJGOXYZUFFC-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH]c(CN2CC[NH+]3CCC2CC3)c(C)[nH+]1 ZINC000724778371 994076926 /nfs/dbraw/zinc/07/69/26/994076926.db2.gz VTRDXMYXZXJYDF-UHFFFAOYSA-N 2 1 234.347 1.307 20 0 BDADMP C[NH+](C)[C@H]1C[C@H]([NH2+]CC2(O)CCC2)C12CCC2 ZINC001335531580 994805321 /nfs/dbraw/zinc/80/53/21/994805321.db2.gz VNGOLIKYORZWNK-RYUDHWBXSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001336276092 994993832 /nfs/dbraw/zinc/99/38/32/994993832.db2.gz ACJVCDNTJRVQCD-OFTGVCEQSA-N 2 1 206.333 1.478 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CCCCO)CC2 ZINC001307610102 995418981 /nfs/dbraw/zinc/41/89/81/995418981.db2.gz VNKFCTOPPSWOSD-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000082991556 349441451 /nfs/dbraw/zinc/44/14/51/349441451.db2.gz HDWCOVATGAXMNH-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccon1 ZINC000572420286 398142501 /nfs/dbraw/zinc/14/25/01/398142501.db2.gz WIQFQKPWXGBNAG-SNVBAGLBSA-N 2 1 234.303 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOC1 ZINC000268832098 538918801 /nfs/dbraw/zinc/91/88/01/538918801.db2.gz FONQLSSJBDFVIR-LBPRGKRZSA-N 2 1 223.320 1.350 20 0 BDADMP C[C@@H](CCO)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000649869975 398156428 /nfs/dbraw/zinc/15/64/28/398156428.db2.gz QYZCJBKHELDYPX-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP FC(F)COCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647956608 398173483 /nfs/dbraw/zinc/17/34/83/398173483.db2.gz QHQVNANOLPMPPY-LBPRGKRZSA-N 2 1 248.317 1.344 20 0 BDADMP FC(F)COCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647956608 398173484 /nfs/dbraw/zinc/17/34/84/398173484.db2.gz QHQVNANOLPMPPY-LBPRGKRZSA-N 2 1 248.317 1.344 20 0 BDADMP C[C@H]([NH2+]CC1(C)CCOCC1)c1c[nH+]ccc1N ZINC000423020638 398161875 /nfs/dbraw/zinc/16/18/75/398161875.db2.gz CJCXTFAGCNKDEY-NSHDSACASA-N 2 1 249.358 1.961 20 0 BDADMP C[C@@H](C[N@@H+](C)CCN1CC[NH2+]CC1)C(C)(C)C ZINC000379730269 398164113 /nfs/dbraw/zinc/16/41/13/398164113.db2.gz LYMBQUZCJKRIKX-ZDUSSCGKSA-N 2 1 241.423 1.506 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000379761279 398164805 /nfs/dbraw/zinc/16/48/05/398164805.db2.gz DSOJHEDKXKBNDA-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)nc(C)[nH+]1 ZINC000127038632 178121568 /nfs/dbraw/zinc/12/15/68/178121568.db2.gz PRRWMTOLUUNLIH-GXSJLCMTSA-N 2 1 220.320 1.267 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647803943 398214622 /nfs/dbraw/zinc/21/46/22/398214622.db2.gz FFNXGAKCXVFJCS-SJHCENCUSA-N 2 1 208.349 1.763 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000576346958 365573743 /nfs/dbraw/zinc/57/37/43/365573743.db2.gz VKJMUXGFLQAORI-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCC(C)(C)C1 ZINC000576368569 365579560 /nfs/dbraw/zinc/57/95/60/365579560.db2.gz AZUFOLSIVXYRQC-RYUDHWBXSA-N 2 1 228.380 1.454 20 0 BDADMP Cc1cc(NCC(C)(C)[NH+]2CCOCC2)cc[nH+]1 ZINC000274734692 178157078 /nfs/dbraw/zinc/15/70/78/178157078.db2.gz IGEPDYDIIJYYSM-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP C[C@@H]([NH3+])CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649413852 398212034 /nfs/dbraw/zinc/21/20/34/398212034.db2.gz MWSCNIXEZNRQCS-UKRRQHHQSA-N 2 1 247.386 1.540 20 0 BDADMP C[C@@H]([NH3+])CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649413851 398212054 /nfs/dbraw/zinc/21/20/54/398212054.db2.gz MWSCNIXEZNRQCS-HIFRSBDPSA-N 2 1 247.386 1.540 20 0 BDADMP CCc1ncc(C[N@H+](C)CCOCC[NH3+])s1 ZINC000649413617 398212181 /nfs/dbraw/zinc/21/21/81/398212181.db2.gz ROTPQCLRVMUHEJ-UHFFFAOYSA-N 2 1 243.376 1.113 20 0 BDADMP CCc1ncc(C[N@@H+](C)CCOCC[NH3+])s1 ZINC000649413617 398212184 /nfs/dbraw/zinc/21/21/84/398212184.db2.gz ROTPQCLRVMUHEJ-UHFFFAOYSA-N 2 1 243.376 1.113 20 0 BDADMP Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)cc[nH+]1 ZINC000274805045 178164669 /nfs/dbraw/zinc/16/46/69/178164669.db2.gz LGBHLHXPWCBQGA-CYBMUJFWSA-N 2 1 248.374 1.438 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070148614 398221122 /nfs/dbraw/zinc/22/11/22/398221122.db2.gz GSWYEACMRBCVSL-LBPRGKRZSA-N 2 1 237.347 1.995 20 0 BDADMP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430749871 398229946 /nfs/dbraw/zinc/22/99/46/398229946.db2.gz XTFAACKQDDHCQH-WDEREUQCSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cncn1C ZINC000161987034 349528580 /nfs/dbraw/zinc/52/85/80/349528580.db2.gz MRFJUFSYBMNCCL-CYBMUJFWSA-N 2 1 236.363 1.192 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000379915688 398242573 /nfs/dbraw/zinc/24/25/73/398242573.db2.gz OFTGJVNKGUCUIH-GXSJLCMTSA-N 2 1 248.317 1.219 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000379915688 398242577 /nfs/dbraw/zinc/24/25/77/398242577.db2.gz OFTGJVNKGUCUIH-GXSJLCMTSA-N 2 1 248.317 1.219 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCCO1 ZINC000381289173 398249792 /nfs/dbraw/zinc/24/97/92/398249792.db2.gz CNMOEJMORWBWEK-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]([NH2+][C@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000306866863 259310514 /nfs/dbraw/zinc/31/05/14/259310514.db2.gz ONBYDEKPIJKHOZ-LPEHRKFASA-N 2 1 200.351 1.222 20 0 BDADMP CCc1ncc(C[NH2+]C[C@H](C)C[NH+](C)C)s1 ZINC000381512903 398254358 /nfs/dbraw/zinc/25/43/58/398254358.db2.gz ROSSPHNMLNJBCT-JTQLQIEISA-N 2 1 241.404 1.993 20 0 BDADMP C[C@H]([NH3+])C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000576731816 365671952 /nfs/dbraw/zinc/67/19/52/365671952.db2.gz JCZFRWHJSBJWEF-VIFPVBQESA-N 2 1 245.330 1.522 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCOCC2)C[C@@]1(C)C[NH3+] ZINC000309220675 259311509 /nfs/dbraw/zinc/31/15/09/259311509.db2.gz XTLIXGYEEVELTP-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000381577352 398263763 /nfs/dbraw/zinc/26/37/63/398263763.db2.gz CRQBZJBJIJHEAT-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000381577352 398263766 /nfs/dbraw/zinc/26/37/66/398263766.db2.gz CRQBZJBJIJHEAT-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCOC1 ZINC000162170099 349583430 /nfs/dbraw/zinc/58/34/30/349583430.db2.gz OUSJYKRXRGBSBH-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000583937441 342728538 /nfs/dbraw/zinc/72/85/38/342728538.db2.gz NCVIGRJXTAOGCY-IJLUTSLNSA-N 2 1 241.379 1.103 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000348749052 136238021 /nfs/dbraw/zinc/23/80/21/136238021.db2.gz MTNXBPOVJRUMLX-CYBMUJFWSA-N 2 1 236.363 1.123 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000348749052 136238022 /nfs/dbraw/zinc/23/80/22/136238022.db2.gz MTNXBPOVJRUMLX-CYBMUJFWSA-N 3 1 236.363 1.123 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000348749052 136238023 /nfs/dbraw/zinc/23/80/23/136238023.db2.gz MTNXBPOVJRUMLX-CYBMUJFWSA-N 3 1 236.363 1.123 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCOC ZINC000045693762 538993396 /nfs/dbraw/zinc/99/33/96/538993396.db2.gz ZOJLZHHUFRNVMR-VXGBXAGGSA-N 2 1 216.369 1.731 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000381759641 539007255 /nfs/dbraw/zinc/00/72/55/539007255.db2.gz TULMXPDUFWDLFW-NEPJUHHUSA-N 2 1 224.348 1.382 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000381130277 538995058 /nfs/dbraw/zinc/99/50/58/538995058.db2.gz KMGLSHQXLUEPMS-ZJUUUORDSA-N 2 1 224.352 1.709 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392184293 539027780 /nfs/dbraw/zinc/02/77/80/539027780.db2.gz BTGSMQQEXPPXEV-KGLIPLIRSA-N 2 1 238.375 1.796 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(O)cc2)CC1 ZINC000392207967 539028192 /nfs/dbraw/zinc/02/81/92/539028192.db2.gz OCFHIERWWBAMAC-UHFFFAOYSA-N 2 1 232.327 1.744 20 0 BDADMP Cc1ccccc1C[N@H+]1CCCN(CC[NH3+])CC1 ZINC000037039707 398300146 /nfs/dbraw/zinc/30/01/46/398300146.db2.gz RZIIHGCYVKCANU-UHFFFAOYSA-N 2 1 247.386 1.461 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)C(C)(C)C ZINC000278778806 398305690 /nfs/dbraw/zinc/30/56/90/398305690.db2.gz NMYPYFJGMAIVOM-NSHDSACASA-N 2 1 225.336 1.188 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000392271923 398316894 /nfs/dbraw/zinc/31/68/94/398316894.db2.gz VDOMDHGBYBTKDO-PWSUYJOCSA-N 2 1 226.389 1.732 20 0 BDADMP C[N@H+](Cc1cc(O)cc(F)c1)CC(C)(C)C[NH3+] ZINC000223560023 398319115 /nfs/dbraw/zinc/31/91/15/398319115.db2.gz MAWYWVNJEXYHEG-UHFFFAOYSA-N 2 1 240.322 1.948 20 0 BDADMP C[N@@H+](Cc1cc(O)cc(F)c1)CC(C)(C)C[NH3+] ZINC000223560023 398319119 /nfs/dbraw/zinc/31/91/19/398319119.db2.gz MAWYWVNJEXYHEG-UHFFFAOYSA-N 2 1 240.322 1.948 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C[C@H]1CCSC1 ZINC000401718459 342915097 /nfs/dbraw/zinc/91/50/97/342915097.db2.gz MMQJNQCFAMBWPB-SNVBAGLBSA-N 2 1 225.361 1.305 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351618781 136248300 /nfs/dbraw/zinc/24/83/00/136248300.db2.gz IMOIWONXUXTRHM-KWCYVHTRSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351618781 136248301 /nfs/dbraw/zinc/24/83/01/136248301.db2.gz IMOIWONXUXTRHM-KWCYVHTRSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351618781 136248302 /nfs/dbraw/zinc/24/83/02/136248302.db2.gz IMOIWONXUXTRHM-KWCYVHTRSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351618781 136248303 /nfs/dbraw/zinc/24/83/03/136248303.db2.gz IMOIWONXUXTRHM-KWCYVHTRSA-N 2 1 240.391 1.562 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(CCn3ccnc3)CC[C@@H]21 ZINC000162290165 349645266 /nfs/dbraw/zinc/64/52/66/349645266.db2.gz OVOMDPKRDOYILN-KBPBESRZSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3ccnc3)CC[C@@H]21 ZINC000162290165 349645269 /nfs/dbraw/zinc/64/52/69/349645269.db2.gz OVOMDPKRDOYILN-KBPBESRZSA-N 3 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCn3ccnc3)CC[C@@H]21 ZINC000162290165 349645273 /nfs/dbraw/zinc/64/52/73/349645273.db2.gz OVOMDPKRDOYILN-KBPBESRZSA-N 3 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCn3ccnc3)CC[C@@H]21 ZINC000162290165 349645277 /nfs/dbraw/zinc/64/52/77/349645277.db2.gz OVOMDPKRDOYILN-KBPBESRZSA-N 3 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3ccnc3)CC[C@@H]21 ZINC000162290165 349645281 /nfs/dbraw/zinc/64/52/81/349645281.db2.gz OVOMDPKRDOYILN-KBPBESRZSA-N 3 1 248.374 1.299 20 0 BDADMP CO[C@H](C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756229 398326402 /nfs/dbraw/zinc/32/64/02/398326402.db2.gz RWNUOESKBDQWFA-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CCOC[C@H]1CCCC[N@H+]1CCC[NH3+] ZINC000313231855 259331518 /nfs/dbraw/zinc/33/15/18/259331518.db2.gz NYGKGTSKSYROTR-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247945190 398337876 /nfs/dbraw/zinc/33/78/76/398337876.db2.gz HGFZWJYZCSMVLW-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000358146633 398339131 /nfs/dbraw/zinc/33/91/31/398339131.db2.gz DGEAGZFKWBANNC-ZOBORPQBSA-N 2 1 242.407 1.856 20 0 BDADMP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000037916133 398335228 /nfs/dbraw/zinc/33/52/28/398335228.db2.gz BGOZHLWHYQUGRT-KGLIPLIRSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000037916133 398335229 /nfs/dbraw/zinc/33/52/29/398335229.db2.gz BGOZHLWHYQUGRT-KGLIPLIRSA-N 2 1 248.374 1.384 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000038000178 398335666 /nfs/dbraw/zinc/33/56/66/398335666.db2.gz YYIFFNWWCIKGGI-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCC12CCOCC2 ZINC000580541146 365691215 /nfs/dbraw/zinc/69/12/15/365691215.db2.gz CGAZCKJMSJJIFF-STQMWFEESA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313350926 259333918 /nfs/dbraw/zinc/33/39/18/259333918.db2.gz LBYMDSPWBHLWAF-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CCO)C1 ZINC000678075734 488190637 /nfs/dbraw/zinc/19/06/37/488190637.db2.gz NYRUHSRJLSKCRM-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000678075734 488190640 /nfs/dbraw/zinc/19/06/40/488190640.db2.gz NYRUHSRJLSKCRM-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CCO)C1 ZINC000678075734 488190644 /nfs/dbraw/zinc/19/06/44/488190644.db2.gz NYRUHSRJLSKCRM-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CCc1cc(NCC[NH+]2CCN(C)CC2)cc[nH+]1 ZINC000307775072 529554852 /nfs/dbraw/zinc/55/48/52/529554852.db2.gz SCMWENAWQCPGKE-UHFFFAOYSA-N 2 1 248.374 1.303 20 0 BDADMP FC(F)(F)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000083119680 342966409 /nfs/dbraw/zinc/96/64/09/342966409.db2.gz VHPDMCLOUWEYKA-YUMQZZPRSA-N 2 1 208.227 1.090 20 0 BDADMP CN1CCO[C@@H](CSC[C@H]2CC[N@@H+](C)C2)C1 ZINC000518183725 259338299 /nfs/dbraw/zinc/33/82/99/259338299.db2.gz LMADOBUQPMJMSO-NWDGAFQWSA-N 2 1 244.404 1.002 20 0 BDADMP C[N@@H+]1CC[C@H](CSC[C@H]2C[NH+](C)CCO2)C1 ZINC000518183725 259338300 /nfs/dbraw/zinc/33/83/00/259338300.db2.gz LMADOBUQPMJMSO-NWDGAFQWSA-N 2 1 244.404 1.002 20 0 BDADMP C[N@H+]1CC[C@H](CSC[C@H]2C[NH+](C)CCO2)C1 ZINC000518183725 259338302 /nfs/dbraw/zinc/33/83/02/259338302.db2.gz LMADOBUQPMJMSO-NWDGAFQWSA-N 2 1 244.404 1.002 20 0 BDADMP C[NH+]1CC[C@H](CSC[C@H]2C[N@H+](C)CCO2)C1 ZINC000518183725 259338304 /nfs/dbraw/zinc/33/83/04/259338304.db2.gz LMADOBUQPMJMSO-NWDGAFQWSA-N 2 1 244.404 1.002 20 0 BDADMP C[NH+]1CC[C@H](CSC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000518183725 259338306 /nfs/dbraw/zinc/33/83/06/259338306.db2.gz LMADOBUQPMJMSO-NWDGAFQWSA-N 2 1 244.404 1.002 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000562746406 323029765 /nfs/dbraw/zinc/02/97/65/323029765.db2.gz HDPUDQOASUMIKH-RQJABVFESA-N 2 1 240.391 1.467 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000309239526 259342066 /nfs/dbraw/zinc/34/20/66/259342066.db2.gz WHHHQSKQMZOMKZ-NEPJUHHUSA-N 3 1 222.336 1.051 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000309239530 259342113 /nfs/dbraw/zinc/34/21/13/259342113.db2.gz WHHHQSKQMZOMKZ-RYUDHWBXSA-N 3 1 222.336 1.051 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOCC(F)F ZINC000235684052 343055363 /nfs/dbraw/zinc/05/53/63/343055363.db2.gz HHJNQGAMNGGOTF-IUCAKERBSA-N 2 1 222.279 1.080 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOCC(F)F ZINC000235684052 343055365 /nfs/dbraw/zinc/05/53/65/343055365.db2.gz HHJNQGAMNGGOTF-IUCAKERBSA-N 2 1 222.279 1.080 20 0 BDADMP Cc1cnc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000235927502 343067470 /nfs/dbraw/zinc/06/74/70/343067470.db2.gz UOLZSMPEPQFEIQ-ZJUUUORDSA-N 2 1 225.361 1.811 20 0 BDADMP Cc1cc(CNC[C@H]2CC[N@H+](C3CC3)C2)on1 ZINC000383413769 362023937 /nfs/dbraw/zinc/02/39/37/362023937.db2.gz VOSGYRKEYWVWTB-LLVKDONJSA-N 2 1 235.331 1.557 20 0 BDADMP CSC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000576863764 365706519 /nfs/dbraw/zinc/70/65/19/365706519.db2.gz MJXTZSHDIRWLGR-NEPJUHHUSA-N 2 1 246.420 1.032 20 0 BDADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1(C)CC1 ZINC000168333949 136267852 /nfs/dbraw/zinc/26/78/52/136267852.db2.gz CQNYZRANRGNXJA-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@H]([NH3+])CCC(C)C)n1 ZINC000634557135 362047436 /nfs/dbraw/zinc/04/74/36/362047436.db2.gz OBPUDYUTAFUCBK-NXEZZACHSA-N 2 1 240.351 1.656 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000569658369 323035769 /nfs/dbraw/zinc/03/57/69/323035769.db2.gz CEKJLMPJZFVHQD-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP c1nc(C2CC[NH+](Cc3cnns3)CC2)c[nH]1 ZINC000625259965 343134355 /nfs/dbraw/zinc/13/43/55/343134355.db2.gz KSWNSSMQAJJTIE-UHFFFAOYSA-N 2 1 249.343 1.641 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000131427577 343183730 /nfs/dbraw/zinc/18/37/30/343183730.db2.gz FBOFILPEWOWKMQ-WDEREUQCSA-N 2 1 235.331 1.407 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000050596136 343177190 /nfs/dbraw/zinc/17/71/90/343177190.db2.gz SHMXUTAXYLZEBT-ZDUSSCGKSA-N 2 1 235.375 1.845 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000634688261 343246525 /nfs/dbraw/zinc/24/65/25/343246525.db2.gz NHPGFJLJHNTELA-WCQYABFASA-N 2 1 230.396 1.571 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)O1 ZINC000634688494 343247911 /nfs/dbraw/zinc/24/79/11/343247911.db2.gz UMMMRWYGDUSARF-VWYCJHECSA-N 2 1 214.353 1.517 20 0 BDADMP Cn1nccc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000634688656 343248470 /nfs/dbraw/zinc/24/84/70/343248470.db2.gz ZQYVBMAZGCXCCH-TZMCWYRMSA-N 2 1 248.374 1.037 20 0 BDADMP CC(C)COCCC[NH2+]C1CC[NH+](C)CC1 ZINC000020147170 343276711 /nfs/dbraw/zinc/27/67/11/343276711.db2.gz IEDDKGYAIPFRQR-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1[nH+]ccn1CCCN1[C@H](C)C[NH2+]C[C@H]1C ZINC000348756157 136297788 /nfs/dbraw/zinc/29/77/88/136297788.db2.gz MLJCDHFRWXQENO-VXGBXAGGSA-N 2 1 236.363 1.264 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000335636112 136300863 /nfs/dbraw/zinc/30/08/63/136300863.db2.gz DFMFNMINTOGLIK-GWCFXTLKSA-N 2 1 219.332 1.620 20 0 BDADMP C[C@@H]([NH2+]CCC1(O)CCC1)[C@H]1CCCC[NH2+]1 ZINC000397724091 262930942 /nfs/dbraw/zinc/93/09/42/262930942.db2.gz XXOSNBVGRPHJDE-VXGBXAGGSA-N 2 1 226.364 1.412 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000349151973 136326420 /nfs/dbraw/zinc/32/64/20/136326420.db2.gz PFSNJLNSKSNCHW-IJLUTSLNSA-N 2 1 219.332 1.865 20 0 BDADMP OCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000177724341 346936956 /nfs/dbraw/zinc/93/69/56/346936956.db2.gz WMRNMPNZEJCYAV-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP OCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000177724341 346936960 /nfs/dbraw/zinc/93/69/60/346936960.db2.gz WMRNMPNZEJCYAV-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP CC[C@@H]([NH3+])c1cn(CCCn2cc[nH+]c2C)nn1 ZINC000641150142 362240980 /nfs/dbraw/zinc/24/09/80/362240980.db2.gz WJRCMOHUGFXIMZ-LLVKDONJSA-N 2 1 248.334 1.283 20 0 BDADMP COCCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594497 343450323 /nfs/dbraw/zinc/45/03/23/343450323.db2.gz YTYARQKSETUOKI-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000167126273 136368119 /nfs/dbraw/zinc/36/81/19/136368119.db2.gz ZBHIFHPBGWIZFP-HBNTYKKESA-N 2 1 200.326 1.094 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CC3)CC[C@H]21 ZINC000247973814 136373464 /nfs/dbraw/zinc/37/34/64/136373464.db2.gz HPPXMLGVMLDJHV-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC000247973814 136373465 /nfs/dbraw/zinc/37/34/65/136373465.db2.gz HPPXMLGVMLDJHV-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC000247973814 136373466 /nfs/dbraw/zinc/37/34/66/136373466.db2.gz HPPXMLGVMLDJHV-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP CSCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602894653 349811733 /nfs/dbraw/zinc/81/17/33/349811733.db2.gz YQGHIYNAGCNBNQ-LBPRGKRZSA-N 2 1 246.420 1.128 20 0 BDADMP C[NH+]1CCC(NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000044535164 343506307 /nfs/dbraw/zinc/50/63/07/343506307.db2.gz CPJLASQHADVAHK-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1CC1 ZINC000308984118 346945054 /nfs/dbraw/zinc/94/50/54/346945054.db2.gz GATGWQCTONSGRK-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1CC1 ZINC000308984118 346945056 /nfs/dbraw/zinc/94/50/56/346945056.db2.gz GATGWQCTONSGRK-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CC1CC1 ZINC000308984118 346945059 /nfs/dbraw/zinc/94/50/59/346945059.db2.gz GATGWQCTONSGRK-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CC1CC1 ZINC000308984118 346945060 /nfs/dbraw/zinc/94/50/60/346945060.db2.gz GATGWQCTONSGRK-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)NCc1ccc(C[NH3+])cc1 ZINC000518770276 259365833 /nfs/dbraw/zinc/36/58/33/259365833.db2.gz OZUDMPIOVUDNLB-DOMZBBRYSA-N 2 1 247.386 1.766 20 0 BDADMP Cc1[nH+]cc(CNc2cccc(N(C)C)[nH+]2)n1C ZINC000580570785 365776877 /nfs/dbraw/zinc/77/68/77/365776877.db2.gz LXKAIYLLNLBXNP-UHFFFAOYSA-N 2 1 245.330 1.224 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000049330123 343596220 /nfs/dbraw/zinc/59/62/20/343596220.db2.gz MNCIOXBENLVVLT-ZYHUDNBSSA-N 2 1 223.320 1.349 20 0 BDADMP CCn1ccnc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000580564400 365781173 /nfs/dbraw/zinc/78/11/73/365781173.db2.gz XQSQKHFDNFUMLO-UWVGGRQHSA-N 2 1 210.325 1.118 20 0 BDADMP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000576187631 343722482 /nfs/dbraw/zinc/72/24/82/343722482.db2.gz AARRYUZOEBRRAL-KGLIPLIRSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000286246237 537810496 /nfs/dbraw/zinc/81/04/96/537810496.db2.gz UFDHRQYIENCKMK-SNVBAGLBSA-N 2 1 233.319 1.656 20 0 BDADMP C[C@H]1C[C@H](N(C)Cc2cn[nH]c2)CC[N@H+]1C ZINC000678278115 488235456 /nfs/dbraw/zinc/23/54/56/488235456.db2.gz MNVBDUNZXWAUAA-CMPLNLGQSA-N 2 1 222.336 1.324 20 0 BDADMP COC[C@@]12CCC[C@@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC000409435037 343835600 /nfs/dbraw/zinc/83/56/00/343835600.db2.gz SBWLFHSGMLGBCY-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccn1 ZINC000621775088 343898277 /nfs/dbraw/zinc/89/82/77/343898277.db2.gz FXCFZMPUZLEJBK-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP Cc1[nH+]ccn1CC[NH+](C1CC1)C1CC1 ZINC000625843471 344094208 /nfs/dbraw/zinc/09/42/08/344094208.db2.gz VXDRPJCJIKANJG-UHFFFAOYSA-N 2 1 205.305 1.818 20 0 BDADMP C[NH2+]CCC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414657886 529961426 /nfs/dbraw/zinc/96/14/26/529961426.db2.gz IGNGLBLLDBZDCO-AWEZNQCLSA-N 3 1 241.423 1.681 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C ZINC000394265802 344241543 /nfs/dbraw/zinc/24/15/43/344241543.db2.gz PYFXOEDNIKFNNT-JTQLQIEISA-N 2 1 202.342 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C ZINC000394265802 344241545 /nfs/dbraw/zinc/24/15/45/344241545.db2.gz PYFXOEDNIKFNNT-JTQLQIEISA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)C ZINC000394265802 344241547 /nfs/dbraw/zinc/24/15/47/344241547.db2.gz PYFXOEDNIKFNNT-JTQLQIEISA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)C ZINC000394265802 344241548 /nfs/dbraw/zinc/24/15/48/344241548.db2.gz PYFXOEDNIKFNNT-JTQLQIEISA-N 2 1 202.342 1.029 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000093214501 344312775 /nfs/dbraw/zinc/31/27/75/344312775.db2.gz GKOMTNLHHXOVDM-YNEHKIRRSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000093214501 344312776 /nfs/dbraw/zinc/31/27/76/344312776.db2.gz GKOMTNLHHXOVDM-YNEHKIRRSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000093214501 344312778 /nfs/dbraw/zinc/31/27/78/344312778.db2.gz GKOMTNLHHXOVDM-YNEHKIRRSA-N 3 1 237.391 1.330 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634782641 344325727 /nfs/dbraw/zinc/32/57/27/344325727.db2.gz VLDKNVAYTMBMRQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000600709089 344360885 /nfs/dbraw/zinc/36/08/85/344360885.db2.gz ODXITQHHEAMVCL-ZDUSSCGKSA-N 2 1 240.347 1.015 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000132771504 344307118 /nfs/dbraw/zinc/30/71/18/344307118.db2.gz CUIOBNKJIFIBLB-KSSYENDESA-N 2 1 210.365 1.961 20 0 BDADMP CCc1nc(NCCC[NH+](C)C)cc(C)[nH+]1 ZINC000304284692 344391775 /nfs/dbraw/zinc/39/17/75/344391775.db2.gz FZWXDOGVSKZIGF-UHFFFAOYSA-N 2 1 222.336 1.711 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336778928 537852992 /nfs/dbraw/zinc/85/29/92/537852992.db2.gz MSBGPXVBTLHSSC-FRRDWIJNSA-N 2 1 227.396 1.256 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158587724 344685635 /nfs/dbraw/zinc/68/56/35/344685635.db2.gz BGWUVXGADHHMKI-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000158600677 344688268 /nfs/dbraw/zinc/68/82/68/344688268.db2.gz OOIIJDVXAFDBBI-ZIAGYGMSSA-N 2 1 248.374 1.336 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000127726993 192075770 /nfs/dbraw/zinc/07/57/70/192075770.db2.gz LJVZVUQDZNIGEK-AVGNSLFASA-N 2 1 224.348 1.382 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000487568354 530047605 /nfs/dbraw/zinc/04/76/05/530047605.db2.gz COIHYTIZDRXAAF-IHWYPQMZSA-N 2 1 243.354 1.946 20 0 BDADMP CC[N@H+]1CCN(Cc2nc(C)c[nH]2)C[C@H]1C ZINC000628168324 344881724 /nfs/dbraw/zinc/88/17/24/344881724.db2.gz RFKHMDBFMIQQGN-LLVKDONJSA-N 2 1 222.336 1.244 20 0 BDADMP C[C@]1(CNC(N)=[NH2+])CCC[N@H+]1Cc1ccccc1 ZINC000153555918 344902457 /nfs/dbraw/zinc/90/24/57/344902457.db2.gz WRLWIUSNGBUKGI-CQSZACIVSA-N 2 1 246.358 1.524 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353562958 192080697 /nfs/dbraw/zinc/08/06/97/192080697.db2.gz CVCSRHHNYLDSAL-HZSPNIEDSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353562958 192080699 /nfs/dbraw/zinc/08/06/99/192080699.db2.gz CVCSRHHNYLDSAL-HZSPNIEDSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353562958 192080700 /nfs/dbraw/zinc/08/07/00/192080700.db2.gz CVCSRHHNYLDSAL-HZSPNIEDSA-N 2 1 241.423 1.787 20 0 BDADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000357925692 345062586 /nfs/dbraw/zinc/06/25/86/345062586.db2.gz CEAXPWKLOHKRTE-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000357925692 345062588 /nfs/dbraw/zinc/06/25/88/345062588.db2.gz CEAXPWKLOHKRTE-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156009746 345117295 /nfs/dbraw/zinc/11/72/95/345117295.db2.gz YKLGLHWILXGARU-MGPQQGTHSA-N 2 1 248.374 1.488 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634993254 345189483 /nfs/dbraw/zinc/18/94/83/345189483.db2.gz ORYBSIXBBAJNDS-ROKHWSDSSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)O1 ZINC000235348028 537890694 /nfs/dbraw/zinc/89/06/94/537890694.db2.gz BEKQYVJLHIGCSH-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000156522877 345172019 /nfs/dbraw/zinc/17/20/19/345172019.db2.gz UOMGJVAUOMWZBN-ZDUSSCGKSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC000634991045 345174222 /nfs/dbraw/zinc/17/42/22/345174222.db2.gz NXWSPEQWVHFPEK-OLZOCXBDSA-N 3 1 227.396 1.149 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC000634991045 345174223 /nfs/dbraw/zinc/17/42/23/345174223.db2.gz NXWSPEQWVHFPEK-OLZOCXBDSA-N 3 1 227.396 1.149 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000634995885 345186160 /nfs/dbraw/zinc/18/61/60/345186160.db2.gz RTUXTBNTRHENRQ-STQMWFEESA-N 3 1 239.407 1.482 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000634995965 345186262 /nfs/dbraw/zinc/18/62/62/345186262.db2.gz VBTGIQHKOPNEIT-WOPDTQHZSA-N 3 1 213.369 1.077 20 0 BDADMP Nc1ccc2c(c1)CC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996917 345186544 /nfs/dbraw/zinc/18/65/44/345186544.db2.gz YVVDDIBVJOKEDA-CIQACWJJSA-N 2 1 243.354 1.598 20 0 BDADMP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156204235 345136279 /nfs/dbraw/zinc/13/62/79/345136279.db2.gz RBNTUYMZLJMOLR-YPMHNXCESA-N 3 1 236.363 1.264 20 0 BDADMP COC1(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCCC1 ZINC000634998291 345198366 /nfs/dbraw/zinc/19/83/66/345198366.db2.gz CYQZLRRFPCUXBB-VXGBXAGGSA-N 2 1 226.364 1.472 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000635001802 345202220 /nfs/dbraw/zinc/20/22/20/345202220.db2.gz CQNFVVZVLMXYFR-TXEJJXNPSA-N 2 1 247.342 1.335 20 0 BDADMP Cc1ncc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)s1 ZINC000635007386 345203308 /nfs/dbraw/zinc/20/33/08/345203308.db2.gz PSUREWVHXQOOEC-JGVFFNPUSA-N 2 1 225.361 1.710 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000635003142 345205728 /nfs/dbraw/zinc/20/57/28/345205728.db2.gz GPAMMYMMYJWHPO-UTUOFQBUSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005096 345209123 /nfs/dbraw/zinc/20/91/23/345209123.db2.gz MBSJGRGYVAYKSC-ZDEQEGDKSA-N 3 1 225.380 1.092 20 0 BDADMP C[C@H](NCc1cccc2c1CC[NH2+]C2)C1C[NH2+]C1 ZINC000635009624 345212048 /nfs/dbraw/zinc/21/20/48/345212048.db2.gz JHVMTKYVKKVUTC-NSHDSACASA-N 2 1 245.370 1.030 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635012516 345214594 /nfs/dbraw/zinc/21/45/94/345214594.db2.gz MUUZYTPJYHFCSS-LSDHHAIUSA-N 2 1 246.354 1.729 20 0 BDADMP COc1ccccc1[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000080581986 345311374 /nfs/dbraw/zinc/31/13/74/345311374.db2.gz WYVDWJWJSZZPOI-LBPRGKRZSA-N 2 1 234.343 1.833 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cncs1 ZINC000159652782 345450937 /nfs/dbraw/zinc/45/09/37/345450937.db2.gz WPEJKDAIVLXNFF-IUCAKERBSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cncs1 ZINC000159652782 345450939 /nfs/dbraw/zinc/45/09/39/345450939.db2.gz WPEJKDAIVLXNFF-IUCAKERBSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000090799997 345576033 /nfs/dbraw/zinc/57/60/33/345576033.db2.gz HQKKGJKWHZXJBV-YWPUVAFDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000090799997 345576034 /nfs/dbraw/zinc/57/60/34/345576034.db2.gz HQKKGJKWHZXJBV-YWPUVAFDSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000090846763 345576672 /nfs/dbraw/zinc/57/66/72/345576672.db2.gz IHSABZUOUVPOPD-DZGCQCFKSA-N 2 1 247.386 1.862 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641709972 362616766 /nfs/dbraw/zinc/61/67/66/362616766.db2.gz KIVGMJAAZQJMFY-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641709972 362616771 /nfs/dbraw/zinc/61/67/71/362616771.db2.gz KIVGMJAAZQJMFY-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000226338987 535004893 /nfs/dbraw/zinc/00/48/93/535004893.db2.gz FWPKUXLHASIMMX-CHWSQXEVSA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000226338987 535004896 /nfs/dbraw/zinc/00/48/96/535004896.db2.gz FWPKUXLHASIMMX-CHWSQXEVSA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000226338987 535004901 /nfs/dbraw/zinc/00/49/01/535004901.db2.gz FWPKUXLHASIMMX-CHWSQXEVSA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000248836730 345717992 /nfs/dbraw/zinc/71/79/92/345717992.db2.gz DFIAOTSRUDMDDJ-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP c1cc(C[NH2+]C2CC[NH2+]CC2)c2c(c1)OCCO2 ZINC000148312716 345719026 /nfs/dbraw/zinc/71/90/26/345719026.db2.gz APANSVGGPYHJLI-UHFFFAOYSA-N 2 1 248.326 1.299 20 0 BDADMP CC[NH+]1CCC(CN[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400761733 345782976 /nfs/dbraw/zinc/78/29/76/345782976.db2.gz YIBBXKNTLTTXIN-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000168748059 535010860 /nfs/dbraw/zinc/01/08/60/535010860.db2.gz PFHUKGXSTJQILD-GFCCVEGCSA-N 2 1 213.369 1.058 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000381474373 346025100 /nfs/dbraw/zinc/02/51/00/346025100.db2.gz NQPPLSCHZVCXIA-AVGNSLFASA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000381474373 346025102 /nfs/dbraw/zinc/02/51/02/346025102.db2.gz NQPPLSCHZVCXIA-AVGNSLFASA-N 2 1 228.380 1.730 20 0 BDADMP Cc1c[nH]c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000628240399 346202640 /nfs/dbraw/zinc/20/26/40/346202640.db2.gz CTIDPDCWUWKPPZ-WDEREUQCSA-N 2 1 222.336 1.243 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC(C)(C)[NH+](C)C ZINC000152608815 346263725 /nfs/dbraw/zinc/26/37/25/346263725.db2.gz GGPOPSWOPDXTKN-RYUDHWBXSA-N 3 1 227.396 1.256 20 0 BDADMP C[C@@H](C[NH2+]Cc1cccc(F)c1N)C[NH+](C)C ZINC000641756233 362680929 /nfs/dbraw/zinc/68/09/29/362680929.db2.gz GJQMJCZGHHRWLS-JTQLQIEISA-N 2 1 239.338 1.695 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000641798269 362743558 /nfs/dbraw/zinc/74/35/58/362743558.db2.gz DHNPFTWLMXSXNR-UONOGXRCSA-N 2 1 248.374 1.416 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798589 362744498 /nfs/dbraw/zinc/74/44/98/362744498.db2.gz JXHRPMVJFAUMLK-UONOGXRCSA-N 2 1 248.374 1.274 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000390464221 259389751 /nfs/dbraw/zinc/38/97/51/259389751.db2.gz HETXUOGAPBDYNE-SDDRHHMPSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000390464221 259389753 /nfs/dbraw/zinc/38/97/53/259389753.db2.gz HETXUOGAPBDYNE-SDDRHHMPSA-N 2 1 225.380 1.151 20 0 BDADMP CC[NH+](CC)CCC[NH+]1CCC(C)(O)CC1 ZINC000191808252 259390241 /nfs/dbraw/zinc/39/02/41/259390241.db2.gz FRVPZPRRDROARR-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641797616 362745251 /nfs/dbraw/zinc/74/52/51/362745251.db2.gz DLHCSSIWFIUFHZ-YPMHNXCESA-N 2 1 236.363 1.022 20 0 BDADMP Cn1cncc1CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000641799519 362748231 /nfs/dbraw/zinc/74/82/31/362748231.db2.gz QTDMCLWFQCTBTN-LBPRGKRZSA-N 2 1 236.363 1.023 20 0 BDADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000641802004 362757600 /nfs/dbraw/zinc/75/76/00/362757600.db2.gz XNWSHNRESAULLC-OLZOCXBDSA-N 2 1 239.407 1.482 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309536119 347096899 /nfs/dbraw/zinc/09/68/99/347096899.db2.gz FISJNXMSVXABBT-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309536119 347096901 /nfs/dbraw/zinc/09/69/01/347096901.db2.gz FISJNXMSVXABBT-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000187705681 346599643 /nfs/dbraw/zinc/59/96/43/346599643.db2.gz USMVYLLRWOPXOT-CHWSQXEVSA-N 2 1 228.380 1.590 20 0 BDADMP CCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000563638414 323133286 /nfs/dbraw/zinc/13/32/86/323133286.db2.gz ZEGPSHDIWOENGW-GHMZBOCLSA-N 2 1 237.347 1.987 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000622004115 370652555 /nfs/dbraw/zinc/65/25/55/370652555.db2.gz KOBCUQOJUAOGIC-AAEUAGOBSA-N 2 1 208.349 1.990 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631158552 347289498 /nfs/dbraw/zinc/28/94/98/347289498.db2.gz WMASFQPCJQSBPF-LBPRGKRZSA-N 2 1 249.358 1.609 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000388251505 347266264 /nfs/dbraw/zinc/26/62/64/347266264.db2.gz WXNJAZXETYJUAF-XWUBHJNHSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000388251505 347266268 /nfs/dbraw/zinc/26/62/68/347266268.db2.gz WXNJAZXETYJUAF-XWUBHJNHSA-N 2 1 240.391 1.872 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571431253 323144717 /nfs/dbraw/zinc/14/47/17/323144717.db2.gz NEVUDSIWIMZHNX-UONOGXRCSA-N 3 1 241.423 1.694 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571431253 323144718 /nfs/dbraw/zinc/14/47/18/323144718.db2.gz NEVUDSIWIMZHNX-UONOGXRCSA-N 3 1 241.423 1.694 20 0 BDADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000591272483 347636774 /nfs/dbraw/zinc/63/67/74/347636774.db2.gz UVPUANLOZQYZTQ-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP O=c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c[nH]1 ZINC000392678102 347651914 /nfs/dbraw/zinc/65/19/14/347651914.db2.gz KZJVMPHDTCKECG-OLZOCXBDSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c[nH]1 ZINC000392678102 347651919 /nfs/dbraw/zinc/65/19/19/347651919.db2.gz KZJVMPHDTCKECG-OLZOCXBDSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c[nH]1 ZINC000392678103 347651968 /nfs/dbraw/zinc/65/19/68/347651968.db2.gz KZJVMPHDTCKECG-QWHCGFSZSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c[nH]1 ZINC000392678103 347651971 /nfs/dbraw/zinc/65/19/71/347651971.db2.gz KZJVMPHDTCKECG-QWHCGFSZSA-N 2 1 247.342 1.504 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000252904864 347692457 /nfs/dbraw/zinc/69/24/57/347692457.db2.gz QYMYTJKSHAVKLF-ZNMIVQPWSA-N 2 1 245.370 1.949 20 0 BDADMP COC(=O)c1coc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000592438874 347779301 /nfs/dbraw/zinc/77/93/01/347779301.db2.gz RLCUASXKNWQSPI-IUCAKERBSA-N 2 1 240.303 1.282 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCSC1 ZINC000037175252 348031153 /nfs/dbraw/zinc/03/11/53/348031153.db2.gz LNABJIUWTKAKHI-NSHDSACASA-N 2 1 214.378 1.423 20 0 BDADMP C[C@H](CSCCF)[NH2+]CCc1c[nH+]cn1C ZINC000595032357 348175164 /nfs/dbraw/zinc/17/51/64/348175164.db2.gz IHHWIXSJPWRTQM-SNVBAGLBSA-N 2 1 245.367 1.643 20 0 BDADMP Cc1cccnc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292204514 179377139 /nfs/dbraw/zinc/37/71/39/179377139.db2.gz SMYSGJCQFFLHBH-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cccnc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292204514 179377141 /nfs/dbraw/zinc/37/71/41/179377141.db2.gz SMYSGJCQFFLHBH-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292204514 179377143 /nfs/dbraw/zinc/37/71/43/179377143.db2.gz SMYSGJCQFFLHBH-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292204514 179377145 /nfs/dbraw/zinc/37/71/45/179377145.db2.gz SMYSGJCQFFLHBH-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cccnc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000162229655 179383867 /nfs/dbraw/zinc/38/38/67/179383867.db2.gz GSZWCEJFXMXPSD-LBPRGKRZSA-N 2 1 219.332 1.622 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1(C)C ZINC000623505327 362928386 /nfs/dbraw/zinc/92/83/86/362928386.db2.gz YVUUJRUZDGYRDN-FRRDWIJNSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[N@@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000253192694 348446009 /nfs/dbraw/zinc/44/60/09/348446009.db2.gz NNVRMDKQDSEFFF-TZMCWYRMSA-N 2 1 233.359 1.541 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000596655489 348600175 /nfs/dbraw/zinc/60/01/75/348600175.db2.gz WBNHYWZQNOOEDL-FIQHERPVSA-N 2 1 242.363 1.162 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)CC1(C)C ZINC000623505326 362929084 /nfs/dbraw/zinc/92/90/84/362929084.db2.gz YVUUJRUZDGYRDN-AVGNSLFASA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CO1 ZINC000401902842 348651032 /nfs/dbraw/zinc/65/10/32/348651032.db2.gz RQQILLBKMLSJNJ-WHOHXGKFSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CO1 ZINC000401902842 348651035 /nfs/dbraw/zinc/65/10/35/348651035.db2.gz RQQILLBKMLSJNJ-WHOHXGKFSA-N 2 1 212.337 1.094 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000069890726 490191618 /nfs/dbraw/zinc/19/16/18/490191618.db2.gz YSDCGXRAHJKAOT-XQQFMLRXSA-N 2 1 228.380 1.874 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)CC1(C)C ZINC000623508062 362932511 /nfs/dbraw/zinc/93/25/11/362932511.db2.gz HSXNPWJEDTZNST-CPCZMJQVSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CCOCC2)CC[N@H+]1C ZINC000397894950 362934457 /nfs/dbraw/zinc/93/44/57/362934457.db2.gz UPUYEMUCQYYQCC-WCQYABFASA-N 2 1 224.348 1.405 20 0 BDADMP CC(C)c1cc(N2CC[C@@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420142232 192169312 /nfs/dbraw/zinc/16/93/12/192169312.db2.gz IBSPMXJNKXDRSV-SNVBAGLBSA-N 2 1 249.362 1.203 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251277346 349184643 /nfs/dbraw/zinc/18/46/43/349184643.db2.gz QEDBWNVHVXBPST-QJPTWQEYSA-N 2 1 234.347 1.597 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251277346 349184644 /nfs/dbraw/zinc/18/46/44/349184644.db2.gz QEDBWNVHVXBPST-QJPTWQEYSA-N 2 1 234.347 1.597 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000253110351 349224281 /nfs/dbraw/zinc/22/42/81/349224281.db2.gz GDFAZGAUGUMLHW-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1C ZINC000308996362 349267464 /nfs/dbraw/zinc/26/74/64/349267464.db2.gz JZQAAJPNBCEYBT-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1C ZINC000308996362 349267467 /nfs/dbraw/zinc/26/74/67/349267467.db2.gz JZQAAJPNBCEYBT-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000308996362 349267469 /nfs/dbraw/zinc/26/74/69/349267469.db2.gz JZQAAJPNBCEYBT-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000308996362 349267471 /nfs/dbraw/zinc/26/74/71/349267471.db2.gz JZQAAJPNBCEYBT-TUAOUCFPSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCc2ccccc2CC1 ZINC000070652851 350038934 /nfs/dbraw/zinc/03/89/34/350038934.db2.gz GWMGKMFHGIXOJD-LLVKDONJSA-N 2 1 204.317 1.434 20 0 BDADMP CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380979582 350087037 /nfs/dbraw/zinc/08/70/37/350087037.db2.gz CDSGQAAWDAPNFP-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380979582 350087040 /nfs/dbraw/zinc/08/70/40/350087040.db2.gz CDSGQAAWDAPNFP-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1CCC1 ZINC000380979767 350087182 /nfs/dbraw/zinc/08/71/82/350087182.db2.gz CESIJHSHHUXKGU-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1CCC1 ZINC000380979767 350087183 /nfs/dbraw/zinc/08/71/83/350087183.db2.gz CESIJHSHHUXKGU-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CC1CCC1 ZINC000380979767 350087185 /nfs/dbraw/zinc/08/71/85/350087185.db2.gz CESIJHSHHUXKGU-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CC1CCC1 ZINC000380979767 350087187 /nfs/dbraw/zinc/08/71/87/350087187.db2.gz CESIJHSHHUXKGU-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H](CO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219291845 350120284 /nfs/dbraw/zinc/12/02/84/350120284.db2.gz RYHYEUUPHVLTEB-RLAWYHOSSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH2+]CCCNc1cc(C)[nH+]c(CC)n1 ZINC000304305404 350157445 /nfs/dbraw/zinc/15/74/45/350157445.db2.gz JLSKEHOVWRITKY-UHFFFAOYSA-N 2 1 222.336 1.759 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]CCCc1c[nH+]cn1C ZINC000314435099 350171955 /nfs/dbraw/zinc/17/19/55/350171955.db2.gz ZFXMSHAQGGFXJO-LBPRGKRZSA-N 2 1 247.346 1.228 20 0 BDADMP C[C@@H](O)[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000315049207 350178633 /nfs/dbraw/zinc/17/86/33/350178633.db2.gz JCVOJFCKSPCCAO-NEPJUHHUSA-N 2 1 237.347 1.055 20 0 BDADMP C[C@@H](O)[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000315049207 350178636 /nfs/dbraw/zinc/17/86/36/350178636.db2.gz JCVOJFCKSPCCAO-NEPJUHHUSA-N 2 1 237.347 1.055 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)o1 ZINC000333771495 180155605 /nfs/dbraw/zinc/15/56/05/180155605.db2.gz RLASHEFYSJEGPH-MGPQQGTHSA-N 2 1 249.358 1.993 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309610783 191063244 /nfs/dbraw/zinc/06/32/44/191063244.db2.gz MQHKJXGXACTOGV-FRRDWIJNSA-N 2 1 228.380 1.323 20 0 BDADMP Cc1ncc(C[NH2+][C@H](C)CC[NH+](C)C)s1 ZINC000049554423 180157292 /nfs/dbraw/zinc/15/72/92/180157292.db2.gz BWUNYKUHWYHDNZ-SECBINFHSA-N 2 1 227.377 1.881 20 0 BDADMP Cc1nccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000292262876 180193823 /nfs/dbraw/zinc/19/38/23/180193823.db2.gz KXMYPBFWSPCJFS-CYBMUJFWSA-N 2 1 232.331 1.317 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1C ZINC000309224249 350212668 /nfs/dbraw/zinc/21/26/68/350212668.db2.gz HHHAUFZVXHIHOV-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1C ZINC000309224249 350212670 /nfs/dbraw/zinc/21/26/70/350212670.db2.gz HHHAUFZVXHIHOV-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000309224249 350212673 /nfs/dbraw/zinc/21/26/73/350212673.db2.gz HHHAUFZVXHIHOV-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000309224249 350212674 /nfs/dbraw/zinc/21/26/74/350212674.db2.gz HHHAUFZVXHIHOV-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623533453 362952286 /nfs/dbraw/zinc/95/22/86/362952286.db2.gz ALCRVBQAVVFPNV-QWHCGFSZSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623534057 362952484 /nfs/dbraw/zinc/95/24/84/362952484.db2.gz VRMCXOWWFYSXEE-RYUDHWBXSA-N 2 1 242.407 1.998 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H](C)O ZINC000124388178 180232156 /nfs/dbraw/zinc/23/21/56/180232156.db2.gz BHLVARCHEQIFAU-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H](C)O ZINC000124388178 180232158 /nfs/dbraw/zinc/23/21/58/180232158.db2.gz BHLVARCHEQIFAU-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cncn1C ZINC000174453925 180236475 /nfs/dbraw/zinc/23/64/75/180236475.db2.gz BDVNKPZWPKOGOJ-UHFFFAOYSA-N 2 1 247.346 1.495 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000269702247 180246422 /nfs/dbraw/zinc/24/64/22/180246422.db2.gz MHAKGRBDONGYHT-ZYHUDNBSSA-N 2 1 223.320 1.349 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000337946447 180247796 /nfs/dbraw/zinc/24/77/96/180247796.db2.gz NKODIBSZNLYGNC-AAEUAGOBSA-N 2 1 236.363 1.121 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000338011636 180248248 /nfs/dbraw/zinc/24/82/48/180248248.db2.gz KZFFPDLBLBOVAL-DGCLKSJQSA-N 2 1 237.347 1.596 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC1(C)C ZINC000340191376 180248355 /nfs/dbraw/zinc/24/83/55/180248355.db2.gz NSWMRIDPRWMYSH-GFCCVEGCSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000338011637 180248358 /nfs/dbraw/zinc/24/83/58/180248358.db2.gz KZFFPDLBLBOVAL-WCQYABFASA-N 2 1 237.347 1.596 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000360495501 180251096 /nfs/dbraw/zinc/25/10/96/180251096.db2.gz MCCVYXWLWYGURO-CYBMUJFWSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](CO)CC(C)C ZINC000360495501 180251099 /nfs/dbraw/zinc/25/10/99/180251099.db2.gz MCCVYXWLWYGURO-CYBMUJFWSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000336712652 180241084 /nfs/dbraw/zinc/24/10/84/180241084.db2.gz OFWDWMDEXRDKQG-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000336712652 180241087 /nfs/dbraw/zinc/24/10/87/180241087.db2.gz OFWDWMDEXRDKQG-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@H](C)CCSC ZINC000309292296 350256081 /nfs/dbraw/zinc/25/60/81/350256081.db2.gz WBXYJNZGBOGEJE-VXGBXAGGSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)CCSC ZINC000309292296 350256088 /nfs/dbraw/zinc/25/60/88/350256088.db2.gz WBXYJNZGBOGEJE-VXGBXAGGSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)CCSC ZINC000309292296 350256091 /nfs/dbraw/zinc/25/60/91/350256091.db2.gz WBXYJNZGBOGEJE-VXGBXAGGSA-N 2 1 248.436 1.372 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccccc1 ZINC000049330087 180260893 /nfs/dbraw/zinc/26/08/93/180260893.db2.gz YPRUPZKWFMAYNM-AWEZNQCLSA-N 2 1 245.326 1.515 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H]1C ZINC000070829481 180262704 /nfs/dbraw/zinc/26/27/04/180262704.db2.gz ZWUPDURISZJFIV-JQWIXIFHSA-N 2 1 207.321 1.970 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1=CCCOC1 ZINC000178164676 180264029 /nfs/dbraw/zinc/26/40/29/180264029.db2.gz PISJWIFYEPVYOU-LBPRGKRZSA-N 2 1 249.358 1.764 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000068944816 350313561 /nfs/dbraw/zinc/31/35/61/350313561.db2.gz BKNSIFCSKUUJIZ-RYUDHWBXSA-N 2 1 216.369 1.323 20 0 BDADMP Cc1ncsc1CC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000126757483 180307474 /nfs/dbraw/zinc/30/74/74/180307474.db2.gz HOXBDWCPGWMLLQ-NSHDSACASA-N 2 1 239.388 1.663 20 0 BDADMP C[C@@H](CCCCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538155 362957277 /nfs/dbraw/zinc/95/72/77/362957277.db2.gz YYPKGFFJDMGUQB-STQMWFEESA-N 2 1 242.407 2.000 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)O ZINC000623540339 362958738 /nfs/dbraw/zinc/95/87/38/362958738.db2.gz VPZFCKKVMNPYCW-UTUOFQBUSA-N 2 1 228.380 1.608 20 0 BDADMP Cc1ncccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000163440213 350521620 /nfs/dbraw/zinc/52/16/20/350521620.db2.gz XVTCERAYNRODOB-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP CC(C)SCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400655323 362963857 /nfs/dbraw/zinc/96/38/57/362963857.db2.gz QQHSSVQFMCTHLR-WDEREUQCSA-N 2 1 216.394 1.858 20 0 BDADMP CCc1nocc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086122 350843318 /nfs/dbraw/zinc/84/33/18/350843318.db2.gz YEQGXKNVOPXCKD-UHFFFAOYSA-N 2 1 234.303 1.303 20 0 BDADMP CC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000119988696 350861719 /nfs/dbraw/zinc/86/17/19/350861719.db2.gz BSAWDORXKZOGEG-NSHDSACASA-N 2 1 207.321 1.695 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829950 350904016 /nfs/dbraw/zinc/90/40/16/350904016.db2.gz NJKWUPZMLQTWIG-XQHKEYJVSA-N 2 1 226.364 1.756 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829950 350904019 /nfs/dbraw/zinc/90/40/19/350904019.db2.gz NJKWUPZMLQTWIG-XQHKEYJVSA-N 2 1 226.364 1.756 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000216244245 351040405 /nfs/dbraw/zinc/04/04/05/351040405.db2.gz DFKKZGFUPXDPTR-SCZZXKLOSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000216244245 351040406 /nfs/dbraw/zinc/04/04/06/351040406.db2.gz DFKKZGFUPXDPTR-SCZZXKLOSA-N 2 1 225.361 1.763 20 0 BDADMP C([NH2+]C1CCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000082432946 191130565 /nfs/dbraw/zinc/13/05/65/191130565.db2.gz RNTFEIRJEXSTCI-CHWSQXEVSA-N 2 1 224.348 1.382 20 0 BDADMP C([NH2+]C1CCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000082432946 191130568 /nfs/dbraw/zinc/13/05/68/191130568.db2.gz RNTFEIRJEXSTCI-CHWSQXEVSA-N 2 1 224.348 1.382 20 0 BDADMP COC1(C[NH2+]C[C@@H]2CCC[NH2+]2)CCCC1 ZINC000379921181 351288823 /nfs/dbraw/zinc/28/88/23/351288823.db2.gz HTZAGZZQEHZDTD-NSHDSACASA-N 2 1 212.337 1.287 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252715953 535159805 /nfs/dbraw/zinc/15/98/05/535159805.db2.gz XEOFSBYGMBMROK-WUHRBBMRSA-N 2 1 228.380 1.322 20 0 BDADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000572517196 363058095 /nfs/dbraw/zinc/05/80/95/363058095.db2.gz FQMTYTKTCGXEMK-GRYCIOLGSA-N 2 1 241.379 1.103 20 0 BDADMP CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336732321 351658797 /nfs/dbraw/zinc/65/87/97/351658797.db2.gz ZJGASPQDDGYSEA-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336732321 351658802 /nfs/dbraw/zinc/65/88/02/351658802.db2.gz ZJGASPQDDGYSEA-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336732321 351658804 /nfs/dbraw/zinc/65/88/04/351658804.db2.gz ZJGASPQDDGYSEA-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336732321 351658809 /nfs/dbraw/zinc/65/88/09/351658809.db2.gz ZJGASPQDDGYSEA-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637867628 351731424 /nfs/dbraw/zinc/73/14/24/351731424.db2.gz VXDIOWQJQYZHGA-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000577839678 366078911 /nfs/dbraw/zinc/07/89/11/366078911.db2.gz GPZASPUGJLPZPT-STQMWFEESA-N 2 1 225.380 1.236 20 0 BDADMP CCC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638145710 352008323 /nfs/dbraw/zinc/00/83/23/352008323.db2.gz KYWFQNZOUZBILC-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638077937 351951189 /nfs/dbraw/zinc/95/11/89/351951189.db2.gz YORPZGQNJUCWHN-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638077619 351951294 /nfs/dbraw/zinc/95/12/94/351951294.db2.gz VTFWXGXZSBTGTF-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@@H]2CCO2)C1 ZINC000638131753 352001601 /nfs/dbraw/zinc/00/16/01/352001601.db2.gz DRBJMQCOCROVAD-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638131753 352001604 /nfs/dbraw/zinc/00/16/04/352001604.db2.gz DRBJMQCOCROVAD-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638131753 352001606 /nfs/dbraw/zinc/00/16/06/352001606.db2.gz DRBJMQCOCROVAD-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638291295 352127154 /nfs/dbraw/zinc/12/71/54/352127154.db2.gz NJUXYWSJVLRKAQ-UHFFFAOYSA-N 2 1 248.374 1.661 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C[C@H]1CCO1 ZINC000638378475 352189347 /nfs/dbraw/zinc/18/93/47/352189347.db2.gz XEQWBVJKCGJDGG-RDBSUJKOSA-N 2 1 238.375 1.772 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638381343 352193109 /nfs/dbraw/zinc/19/31/09/352193109.db2.gz KIVSWSOQXXBNDO-HSBZDZAISA-N 2 1 248.374 1.518 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638410247 352217424 /nfs/dbraw/zinc/21/74/24/352217424.db2.gz YIISTLAGQIPXGI-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638409442 352218423 /nfs/dbraw/zinc/21/84/23/352218423.db2.gz MHDKIBGIAZPOLH-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1CCC[C@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000414918078 352273034 /nfs/dbraw/zinc/27/30/34/352273034.db2.gz XKQDYKAWAVLYQH-RYUDHWBXSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@H]1CCC[C@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000414918078 352273039 /nfs/dbraw/zinc/27/30/39/352273039.db2.gz XKQDYKAWAVLYQH-RYUDHWBXSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000307358338 352336281 /nfs/dbraw/zinc/33/62/81/352336281.db2.gz DOHBYGZIWYQULJ-GUBZILKMSA-N 2 1 200.351 1.222 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414955709 352374928 /nfs/dbraw/zinc/37/49/28/352374928.db2.gz MPIDFMJNGYFURV-GXSJLCMTSA-N 2 1 239.388 1.793 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC(n3cccn3)C2)CC[N@@H+]1C ZINC000638706983 352543784 /nfs/dbraw/zinc/54/37/84/352543784.db2.gz HSKBIBKMSAQGDK-IWMBGFJWSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC(n3cccn3)C2)CC[N@H+]1C ZINC000638706983 352543787 /nfs/dbraw/zinc/54/37/87/352543787.db2.gz HSKBIBKMSAQGDK-IWMBGFJWSA-N 2 1 248.374 1.659 20 0 BDADMP CC(C)c1noc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000044513446 352653772 /nfs/dbraw/zinc/65/37/72/352653772.db2.gz GUIFBSNVDINWGN-UHFFFAOYSA-N 2 1 238.335 1.364 20 0 BDADMP Cc1cc(C[NH2+][C@](C)(C[NH3+])C(C)C)ccn1 ZINC000304627107 352735392 /nfs/dbraw/zinc/73/53/92/352735392.db2.gz UYSYITWYCOANNK-CYBMUJFWSA-N 2 1 221.348 1.853 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412041836 191250606 /nfs/dbraw/zinc/25/06/06/191250606.db2.gz SIQVKLFOPMJSFY-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP COCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000334375890 353032442 /nfs/dbraw/zinc/03/24/42/353032442.db2.gz DNVOMHGUFKHVPG-UHFFFAOYSA-N 2 1 212.337 1.193 20 0 BDADMP COCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000334375890 353032446 /nfs/dbraw/zinc/03/24/46/353032446.db2.gz DNVOMHGUFKHVPG-UHFFFAOYSA-N 2 1 212.337 1.193 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000261568710 535197920 /nfs/dbraw/zinc/19/79/20/535197920.db2.gz FTPBSAMCGNQHAK-LLVKDONJSA-N 2 1 207.321 1.889 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000261568710 535197925 /nfs/dbraw/zinc/19/79/25/535197925.db2.gz FTPBSAMCGNQHAK-LLVKDONJSA-N 2 1 207.321 1.889 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000250452022 353272207 /nfs/dbraw/zinc/27/22/07/353272207.db2.gz ZQMLHPWTJQVSAR-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000250452022 353272209 /nfs/dbraw/zinc/27/22/09/353272209.db2.gz ZQMLHPWTJQVSAR-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000361414749 188244452 /nfs/dbraw/zinc/24/44/52/188244452.db2.gz LPXFHXUHBTXAAZ-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000361414749 188244454 /nfs/dbraw/zinc/24/44/54/188244454.db2.gz LPXFHXUHBTXAAZ-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000361414749 188244455 /nfs/dbraw/zinc/24/44/55/188244455.db2.gz LPXFHXUHBTXAAZ-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)(CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408662 188248606 /nfs/dbraw/zinc/24/86/06/188248606.db2.gz GRIQLGRTLQTMKY-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@H](NCC[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000128514068 353291812 /nfs/dbraw/zinc/29/18/12/353291812.db2.gz VYILAFMUQYUVPW-OLZOCXBDSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1C[C@H](NCC[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000128514068 353291815 /nfs/dbraw/zinc/29/18/15/353291815.db2.gz VYILAFMUQYUVPW-OLZOCXBDSA-N 2 1 237.391 1.297 20 0 BDADMP CC(C)C[C@H](CN[C@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000343272471 353295246 /nfs/dbraw/zinc/29/52/46/353295246.db2.gz UOOAWCPRKCQQJI-MCIONIFRSA-N 2 1 241.423 1.502 20 0 BDADMP CC(C)C[C@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000343272471 353295249 /nfs/dbraw/zinc/29/52/49/353295249.db2.gz UOOAWCPRKCQQJI-MCIONIFRSA-N 2 1 241.423 1.502 20 0 BDADMP CNC(=O)c1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000037860212 188327279 /nfs/dbraw/zinc/32/72/79/188327279.db2.gz CDEKJFDUEMJXCI-UHFFFAOYSA-N 2 1 249.358 1.088 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@H]1NCc1cccnc1N(C)C ZINC000343284706 353348681 /nfs/dbraw/zinc/34/86/81/353348681.db2.gz URHSLQCTWNCBJI-WCQYABFASA-N 2 1 248.374 1.187 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1cccnc1N(C)C ZINC000343284706 353348682 /nfs/dbraw/zinc/34/86/82/353348682.db2.gz URHSLQCTWNCBJI-WCQYABFASA-N 2 1 248.374 1.187 20 0 BDADMP C1C([NH2+][C@@H]2CCOC2)CC1[NH+]1CCCCC1 ZINC000309700125 188345820 /nfs/dbraw/zinc/34/58/20/188345820.db2.gz SLOMYYDXMMJOPL-PNESKVBLSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000336781018 188354279 /nfs/dbraw/zinc/35/42/79/188354279.db2.gz SZLIKELGLHQLOS-RYUDHWBXSA-N 2 1 226.364 1.079 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000121991779 188355695 /nfs/dbraw/zinc/35/56/95/188355695.db2.gz WUEHZNAPFPALLV-ZYHUDNBSSA-N 2 1 207.321 1.970 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336690390 188359329 /nfs/dbraw/zinc/35/93/29/188359329.db2.gz GVEWLKOMCVWWNN-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000336690390 188359330 /nfs/dbraw/zinc/35/93/30/188359330.db2.gz GVEWLKOMCVWWNN-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000336690390 188359332 /nfs/dbraw/zinc/35/93/32/188359332.db2.gz GVEWLKOMCVWWNN-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCSC1 ZINC000308871813 353587177 /nfs/dbraw/zinc/58/71/77/353587177.db2.gz KKLHVBIJJKMTJK-SNVBAGLBSA-N 2 1 225.361 1.448 20 0 BDADMP C[N@@H+](CCCn1ccnc1)[C@H]1CCN(C2CC2)C1 ZINC000343313947 353624222 /nfs/dbraw/zinc/62/42/22/353624222.db2.gz LALAAIRTIJZEEI-AWEZNQCLSA-N 2 1 248.374 1.442 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000119996688 353691171 /nfs/dbraw/zinc/69/11/71/353691171.db2.gz JUSIIVSPKBVNDH-CYBMUJFWSA-N 2 1 226.364 1.297 20 0 BDADMP CO[C@@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000393861536 353970365 /nfs/dbraw/zinc/97/03/65/353970365.db2.gz IPMZUTZLBWHWPK-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000309585686 491057196 /nfs/dbraw/zinc/05/71/96/491057196.db2.gz RSNAJRJSZCVCFV-YPMHNXCESA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH+](CC)C[C@@H]1C)C1CC1 ZINC000343916038 354040499 /nfs/dbraw/zinc/04/04/99/354040499.db2.gz PIOGHSZVLSSONU-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@H+](CC)C[C@@H]1C)C1CC1 ZINC000343916038 354040502 /nfs/dbraw/zinc/04/05/02/354040502.db2.gz PIOGHSZVLSSONU-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC000343916038 354040505 /nfs/dbraw/zinc/04/05/05/354040505.db2.gz PIOGHSZVLSSONU-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP CC[C@H](F)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032823 354095651 /nfs/dbraw/zinc/09/56/51/354095651.db2.gz DSOCJRSBVPYRQR-ZDUSSCGKSA-N 2 1 247.402 1.550 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000344128111 354146068 /nfs/dbraw/zinc/14/60/68/354146068.db2.gz IEVIGWYNBSKZIE-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H]1C[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)CC[NH2+]1 ZINC000334587518 354212776 /nfs/dbraw/zinc/21/27/76/354212776.db2.gz OOWDWBMNLXIKGO-OLZOCXBDSA-N 3 1 237.391 1.202 20 0 BDADMP Cc1ccc(C[NH+]2CCC([NH3+])CC2)c(C)n1 ZINC000334588101 354214453 /nfs/dbraw/zinc/21/44/53/354214453.db2.gz RNIBIEAGMFHAOD-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(=O)[nH]c1 ZINC000639177797 354251376 /nfs/dbraw/zinc/25/13/76/354251376.db2.gz GOSLOOVRSNSSMV-YPMHNXCESA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(=O)[nH]c1 ZINC000639177797 354251377 /nfs/dbraw/zinc/25/13/77/354251377.db2.gz GOSLOOVRSNSSMV-YPMHNXCESA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177797 354251379 /nfs/dbraw/zinc/25/13/79/354251379.db2.gz GOSLOOVRSNSSMV-YPMHNXCESA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177797 354251381 /nfs/dbraw/zinc/25/13/81/354251381.db2.gz GOSLOOVRSNSSMV-YPMHNXCESA-N 2 1 249.358 1.559 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000344411685 354251966 /nfs/dbraw/zinc/25/19/66/354251966.db2.gz RIEIFJWDFMXIOF-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344411685 354251968 /nfs/dbraw/zinc/25/19/68/354251968.db2.gz RIEIFJWDFMXIOF-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccon3)C2)CC1 ZINC000639177963 354252456 /nfs/dbraw/zinc/25/24/56/354252456.db2.gz XYGLKDSNRHGFPB-ZDUSSCGKSA-N 2 1 249.358 1.838 20 0 BDADMP CCn1cncc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000334598369 354232604 /nfs/dbraw/zinc/23/26/04/354232604.db2.gz QFEFFAWZSBMOHB-LBPRGKRZSA-N 2 1 234.347 1.183 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cncn2C)[C@@H](C)C1 ZINC000344533864 354283428 /nfs/dbraw/zinc/28/34/28/354283428.db2.gz GXOYYCUPTORHDO-AAEUAGOBSA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cncn2C)[C@@H](C)C1 ZINC000344533864 354283430 /nfs/dbraw/zinc/28/34/30/354283430.db2.gz GXOYYCUPTORHDO-AAEUAGOBSA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2=CCCOC2)[C@H](C)C1 ZINC000344511179 354291554 /nfs/dbraw/zinc/29/15/54/354291554.db2.gz IINBRCMIBPJHGX-TZMCWYRMSA-N 2 1 238.375 1.653 20 0 BDADMP Cc1cn2c([nH+]1)CC[C@H](Nc1cc[nH+]cc1C)C2 ZINC000366877057 354346057 /nfs/dbraw/zinc/34/60/57/354346057.db2.gz LOXSLMPWUONNCU-LBPRGKRZSA-N 2 1 242.326 1.744 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@@]3(CCOC3)C2)cn1 ZINC000334690443 354478957 /nfs/dbraw/zinc/47/89/57/354478957.db2.gz SCJHLZVEUNNNAS-CYBMUJFWSA-N 2 1 235.331 1.386 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203043 354608983 /nfs/dbraw/zinc/60/89/83/354608983.db2.gz GBNCQDSNXSXKMB-AWEZNQCLSA-N 2 1 247.342 1.315 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203043 354608984 /nfs/dbraw/zinc/60/89/84/354608984.db2.gz GBNCQDSNXSXKMB-AWEZNQCLSA-N 2 1 247.342 1.315 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203043 354608986 /nfs/dbraw/zinc/60/89/86/354608986.db2.gz GBNCQDSNXSXKMB-AWEZNQCLSA-N 2 1 247.342 1.315 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203043 354608990 /nfs/dbraw/zinc/60/89/90/354608990.db2.gz GBNCQDSNXSXKMB-AWEZNQCLSA-N 2 1 247.342 1.315 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000232660624 363378312 /nfs/dbraw/zinc/37/83/12/363378312.db2.gz VPKADOPRQYSFJP-LBPRGKRZSA-N 2 1 214.353 1.330 20 0 BDADMP CC(C)COCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000232634901 363378900 /nfs/dbraw/zinc/37/89/00/363378900.db2.gz CQMWRSRSAKMKSV-UHFFFAOYSA-N 2 1 214.353 1.343 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000346460652 354964888 /nfs/dbraw/zinc/96/48/88/354964888.db2.gz MXUZTBUEHZZEAW-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cnccc1C[NH2+]CC1([NH3+])CCC1 ZINC000530217151 324533574 /nfs/dbraw/zinc/53/35/74/324533574.db2.gz GCJDGHAIWWDYFC-UHFFFAOYSA-N 2 1 205.305 1.361 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000346627931 354997567 /nfs/dbraw/zinc/99/75/67/354997567.db2.gz ADCLFHRVMWJSOJ-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000346627931 354997569 /nfs/dbraw/zinc/99/75/69/354997569.db2.gz ADCLFHRVMWJSOJ-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP COc1ccsc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346686654 355012440 /nfs/dbraw/zinc/01/24/40/355012440.db2.gz RZPQPPOIOSDISU-ZJUUUORDSA-N 2 1 240.372 1.926 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000346639251 355015329 /nfs/dbraw/zinc/01/53/29/355015329.db2.gz JREHFLZPXUTWQT-ZJUUUORDSA-N 2 1 239.388 1.875 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000346639251 355015332 /nfs/dbraw/zinc/01/53/32/355015332.db2.gz JREHFLZPXUTWQT-ZJUUUORDSA-N 2 1 239.388 1.875 20 0 BDADMP C[N@@H+](Cc1cccc2c[nH]nc21)CC(C)(C)C[NH3+] ZINC000346647127 355017849 /nfs/dbraw/zinc/01/78/49/355017849.db2.gz FTEVNDLJWUTOKF-UHFFFAOYSA-N 2 1 246.358 1.980 20 0 BDADMP C[N@@H+]1C[C@H]2CN(C/C=C/c3ccncc3)C[C@H]2C1 ZINC000335192160 355025215 /nfs/dbraw/zinc/02/52/15/355025215.db2.gz JGEYJMHDJSMKJV-WNUVYJMLSA-N 2 1 243.354 1.588 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C/C=C/c3ccncc3)C[C@@H]2C1 ZINC000335192160 355025217 /nfs/dbraw/zinc/02/52/17/355025217.db2.gz JGEYJMHDJSMKJV-WNUVYJMLSA-N 2 1 243.354 1.588 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C/C=C/c3ccncc3)C[C@@H]2C1 ZINC000335192160 355025222 /nfs/dbraw/zinc/02/52/22/355025222.db2.gz JGEYJMHDJSMKJV-WNUVYJMLSA-N 2 1 243.354 1.588 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C/C=C/c3ccncc3)C[C@@H]2C1 ZINC000335192160 355025227 /nfs/dbraw/zinc/02/52/27/355025227.db2.gz JGEYJMHDJSMKJV-WNUVYJMLSA-N 2 1 243.354 1.588 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C/C=C/c3ccncc3)C[C@@H]2C1 ZINC000335192160 355025229 /nfs/dbraw/zinc/02/52/29/355025229.db2.gz JGEYJMHDJSMKJV-WNUVYJMLSA-N 2 1 243.354 1.588 20 0 BDADMP CCc1cc(N2CC[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000335233203 355093936 /nfs/dbraw/zinc/09/39/36/355093936.db2.gz ODHNGPVFOGPQAT-NSHDSACASA-N 2 1 219.332 1.784 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971032 355207416 /nfs/dbraw/zinc/20/74/16/355207416.db2.gz GUNLGCTXJYUUOD-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](CO)C(C)(C)C ZINC000346988384 355188445 /nfs/dbraw/zinc/18/84/45/355188445.db2.gz QYAJIJBNVNZJQB-RYUDHWBXSA-N 2 1 228.380 1.325 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](CO)C(C)(C)C ZINC000346988382 355188522 /nfs/dbraw/zinc/18/85/22/355188522.db2.gz QYAJIJBNVNZJQB-NWDGAFQWSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H]1COCC[N@@H+]1CCSCC[NH+](C)C ZINC000413003280 191337019 /nfs/dbraw/zinc/33/70/19/191337019.db2.gz WIZGKKIWLQKBLF-NSHDSACASA-N 2 1 232.393 1.002 20 0 BDADMP C[C@H]1COCC[N@H+]1CCSCC[NH+](C)C ZINC000413003280 191337021 /nfs/dbraw/zinc/33/70/21/191337021.db2.gz WIZGKKIWLQKBLF-NSHDSACASA-N 2 1 232.393 1.002 20 0 BDADMP C[C@@H]1COCC[N@@H+]1CCSCC[NH+](C)C ZINC000413003279 191337444 /nfs/dbraw/zinc/33/74/44/191337444.db2.gz WIZGKKIWLQKBLF-LLVKDONJSA-N 2 1 232.393 1.002 20 0 BDADMP C[C@@H]1COCC[N@H+]1CCSCC[NH+](C)C ZINC000413003279 191337445 /nfs/dbraw/zinc/33/74/45/191337445.db2.gz WIZGKKIWLQKBLF-LLVKDONJSA-N 2 1 232.393 1.002 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000412979010 191347858 /nfs/dbraw/zinc/34/78/58/191347858.db2.gz RQWOEEVTSFSGCO-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000113513537 355249937 /nfs/dbraw/zinc/24/99/37/355249937.db2.gz XOXCIWOJUOTIRE-ZDUSSCGKSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1C[C@H]1C ZINC000414109801 191434808 /nfs/dbraw/zinc/43/48/08/191434808.db2.gz HNFMELMKNQPRJJ-AGIUHOORSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)CC[C@@H]2C)CC[NH2+]1 ZINC000414693250 191547674 /nfs/dbraw/zinc/54/76/74/191547674.db2.gz MKAIWLDIYXCABY-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP COc1ccsc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335786257 355436368 /nfs/dbraw/zinc/43/63/68/355436368.db2.gz DOFBUFXMZHBXBF-UWVGGRQHSA-N 2 1 240.372 1.926 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335786257 355436370 /nfs/dbraw/zinc/43/63/70/355436370.db2.gz DOFBUFXMZHBXBF-UWVGGRQHSA-N 2 1 240.372 1.926 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000349854381 355496043 /nfs/dbraw/zinc/49/60/43/355496043.db2.gz OHMVNXVPRILKBR-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccn(C)n1 ZINC000349784487 355462138 /nfs/dbraw/zinc/46/21/38/355462138.db2.gz PVGRMZZPBDVEMS-ZDUSSCGKSA-N 2 1 248.374 1.723 20 0 BDADMP C1[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H]1C1CCCCC1 ZINC000415110116 191680221 /nfs/dbraw/zinc/68/02/21/191680221.db2.gz QBMOFHRVWNBZIR-AGIUHOORSA-N 2 1 208.349 1.907 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000583558635 355609026 /nfs/dbraw/zinc/60/90/26/355609026.db2.gz AQAGDTKHPVHJAV-STQMWFEESA-N 2 1 239.407 1.589 20 0 BDADMP CO[C@@H](C[N@@H+](C)CC1CN(C)C1)C1CCCC1 ZINC000639310614 355663932 /nfs/dbraw/zinc/66/39/32/355663932.db2.gz UOISGVBVNGWEBD-AWEZNQCLSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000367107471 355709742 /nfs/dbraw/zinc/70/97/42/355709742.db2.gz NNHDGXHNNAXUJT-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP Nc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000333884740 181209041 /nfs/dbraw/zinc/20/90/41/181209041.db2.gz VNJDZLDIUQWQQA-AWEZNQCLSA-N 2 1 246.358 1.070 20 0 BDADMP Nc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000333884740 181209042 /nfs/dbraw/zinc/20/90/42/181209042.db2.gz VNJDZLDIUQWQQA-AWEZNQCLSA-N 2 1 246.358 1.070 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639345926 355792584 /nfs/dbraw/zinc/79/25/84/355792584.db2.gz CUHILIBAQKNLBX-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H](F)CC[N@@H+](C)CCCn1ccnc1 ZINC000351735310 356074948 /nfs/dbraw/zinc/07/49/48/356074948.db2.gz MDZZVGLRHVEVLJ-LLVKDONJSA-N 2 1 213.300 1.953 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnn1C ZINC000192249720 356078497 /nfs/dbraw/zinc/07/84/97/356078497.db2.gz JRCNPMXQMBPFOY-RYUDHWBXSA-N 2 1 248.374 1.555 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccnn1C ZINC000192249720 356078498 /nfs/dbraw/zinc/07/84/98/356078498.db2.gz JRCNPMXQMBPFOY-RYUDHWBXSA-N 2 1 248.374 1.555 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000420264924 192191806 /nfs/dbraw/zinc/19/18/06/192191806.db2.gz ATONPYCDDKEPOC-HNNXBMFYSA-N 2 1 247.386 1.946 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420297595 192204588 /nfs/dbraw/zinc/20/45/88/192204588.db2.gz YVHRCIDEQOUZNZ-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420296758 192204733 /nfs/dbraw/zinc/20/47/33/192204733.db2.gz DTXVRDSDKZBVRV-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1CN ZINC000420296602 192204907 /nfs/dbraw/zinc/20/49/07/192204907.db2.gz XFZZBKVIPZHARS-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000420296602 192204908 /nfs/dbraw/zinc/20/49/08/192204908.db2.gz XFZZBKVIPZHARS-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C(C[N@H+]1CCC[C@@H]1C1CCC1)N1CC[NH2+]CC1 ZINC000420297486 192205328 /nfs/dbraw/zinc/20/53/28/192205328.db2.gz FYNYVPMCJJHUPD-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP COC(=O)CC1(C[NH2+][C@](C)(C[NH3+])C2CC2)CC1 ZINC000420295850 192205712 /nfs/dbraw/zinc/20/57/12/192205712.db2.gz AZSUXPIOZDQGNS-GFCCVEGCSA-N 2 1 240.347 1.047 20 0 BDADMP CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420272912 192197017 /nfs/dbraw/zinc/19/70/17/192197017.db2.gz MSSWYIPCAAEYPV-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420272912 192197019 /nfs/dbraw/zinc/19/70/19/192197019.db2.gz MSSWYIPCAAEYPV-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CC(C)OC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420283598 192199407 /nfs/dbraw/zinc/19/94/07/192199407.db2.gz CGZBSDCPQYCMML-UHFFFAOYSA-N 2 1 230.352 1.245 20 0 BDADMP CCCCC[N@@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000420295469 192202645 /nfs/dbraw/zinc/20/26/45/192202645.db2.gz AKWSLNFABUACBX-CQSZACIVSA-N 2 1 242.407 1.861 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313301 192213355 /nfs/dbraw/zinc/21/33/55/192213355.db2.gz XXCCETYGHHZHRA-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CCCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334983 192215187 /nfs/dbraw/zinc/21/51/87/192215187.db2.gz UQGWTQKYPSLUGX-LBPRGKRZSA-N 2 1 226.364 1.474 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340607 192215662 /nfs/dbraw/zinc/21/56/62/192215662.db2.gz MVURAPPUBVWRMQ-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CCCCOCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420352985 192218447 /nfs/dbraw/zinc/21/84/47/192218447.db2.gz BDYJREGWPDDJLY-LLVKDONJSA-N 2 1 216.369 1.766 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000420299501 192207890 /nfs/dbraw/zinc/20/78/90/192207890.db2.gz GQVMDDBADIEIHW-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@H]1CCCCO1 ZINC000420308134 192210904 /nfs/dbraw/zinc/21/09/04/192210904.db2.gz CLQPQEHGNOYPGN-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000420313008 192211474 /nfs/dbraw/zinc/21/14/74/192211474.db2.gz SZIKLNHMGNDQAT-YIYPIFLZSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](CN)C1 ZINC000420325899 192229064 /nfs/dbraw/zinc/22/90/64/192229064.db2.gz CACOYJMNMHDHDQ-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000420325899 192229065 /nfs/dbraw/zinc/22/90/65/192229065.db2.gz CACOYJMNMHDHDQ-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357624 192220684 /nfs/dbraw/zinc/22/06/84/192220684.db2.gz DSGVIVXWUZYKTI-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420363846 192223941 /nfs/dbraw/zinc/22/39/41/192223941.db2.gz OHOGIXHRJIQFIO-SNVBAGLBSA-N 2 1 230.352 1.291 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000420381233 192234238 /nfs/dbraw/zinc/23/42/38/192234238.db2.gz ZBIQHUHURXHPAP-SYQHCUMBSA-N 2 1 240.391 1.922 20 0 BDADMP CCSCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383221 192234652 /nfs/dbraw/zinc/23/46/52/192234652.db2.gz SOJFZJJEJWDCFH-GFCCVEGCSA-N 2 1 228.405 1.815 20 0 BDADMP C[C@H]([NH3+])CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420383706 192235664 /nfs/dbraw/zinc/23/56/64/192235664.db2.gz ZWBWSHZWZBUKBO-SCRDCRAPSA-N 2 1 237.391 1.282 20 0 BDADMP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC[NH3+] ZINC000420404952 192238020 /nfs/dbraw/zinc/23/80/20/192238020.db2.gz MMNUCOFQZSRLSS-GHMZBOCLSA-N 2 1 200.326 1.128 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420403821 192238695 /nfs/dbraw/zinc/23/86/95/192238695.db2.gz RTPUXROBIJWNCF-MELADBBJSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])c1cccc(-n2cccn2)c1 ZINC000420411522 192239852 /nfs/dbraw/zinc/23/98/52/192239852.db2.gz RTAOKRFXKWHKRN-LLVKDONJSA-N 2 1 230.315 1.482 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420413214 192240145 /nfs/dbraw/zinc/24/01/45/192240145.db2.gz SUWUCASPQRCLGQ-RDBSUJKOSA-N 2 1 239.407 1.293 20 0 BDADMP C[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000420412520 192240173 /nfs/dbraw/zinc/24/01/73/192240173.db2.gz SGYNQWJREWEEJN-YUTCNCBUSA-N 2 1 233.359 1.369 20 0 BDADMP [NH3+]CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420414082 192240259 /nfs/dbraw/zinc/24/02/59/192240259.db2.gz UIMOMDSHLLSLCG-OCCSQVGLSA-N 2 1 234.343 1.703 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420376712 192232144 /nfs/dbraw/zinc/23/21/44/192232144.db2.gz QZEZZNFWDSGFKE-RYUDHWBXSA-N 2 1 234.347 1.546 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420380665 192233555 /nfs/dbraw/zinc/23/35/55/192233555.db2.gz YNECDMJKUGVTSC-JHJVBQTASA-N 2 1 228.380 1.778 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)C(C)(C)O ZINC000639559009 356464473 /nfs/dbraw/zinc/46/44/73/356464473.db2.gz NBSRCXHQSKRXIA-UHFFFAOYSA-N 2 1 225.336 1.102 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c(C)n1 ZINC000639551051 356433903 /nfs/dbraw/zinc/43/39/03/356433903.db2.gz GHQGJWIABMFKSS-DGCLKSJQSA-N 2 1 234.343 1.962 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCOC1 ZINC000352219648 134108976 /nfs/dbraw/zinc/10/89/76/134108976.db2.gz DYPNYUYURQFXKW-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCOC1 ZINC000352219648 134108977 /nfs/dbraw/zinc/10/89/77/134108977.db2.gz DYPNYUYURQFXKW-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000352219648 134108978 /nfs/dbraw/zinc/10/89/78/134108978.db2.gz DYPNYUYURQFXKW-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1noc(C)c1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000639566074 356485969 /nfs/dbraw/zinc/48/59/69/356485969.db2.gz WFKNOQRTXVVDTA-VIFPVBQESA-N 2 1 248.330 1.918 20 0 BDADMP C([C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000336180202 134119533 /nfs/dbraw/zinc/11/95/33/134119533.db2.gz JBBZASGKXXCYOS-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C([C@@H]1CC[N@H+]([C@@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000336180202 134119534 /nfs/dbraw/zinc/11/95/34/134119534.db2.gz JBBZASGKXXCYOS-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000639614035 356532027 /nfs/dbraw/zinc/53/20/27/356532027.db2.gz WVECLRMKZJGYMM-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682661 356593362 /nfs/dbraw/zinc/59/33/62/356593362.db2.gz IACXLKDBVMYUHR-AWEZNQCLSA-N 2 1 249.358 1.365 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCCC2(CC2)CC1 ZINC000629585809 538459142 /nfs/dbraw/zinc/45/91/42/538459142.db2.gz FVZJNUZCKQIPGZ-UHFFFAOYSA-N 2 1 212.337 1.228 20 0 BDADMP c1cc(N2CCC[N@H+]([C@H]3CCOC3)CC2)cc[nH+]1 ZINC000639683710 356599768 /nfs/dbraw/zinc/59/97/68/356599768.db2.gz MMJYXUSUDADSTE-AWEZNQCLSA-N 2 1 247.342 1.383 20 0 BDADMP C[C@@H]1CNCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000675056446 538478254 /nfs/dbraw/zinc/47/82/54/538478254.db2.gz KGIMMIIHCWSZGP-RLAWYHOSSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CNCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000675056446 538478256 /nfs/dbraw/zinc/47/82/56/538478256.db2.gz KGIMMIIHCWSZGP-RLAWYHOSSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130157260 325018486 /nfs/dbraw/zinc/01/84/86/325018486.db2.gz MTROGMRTUGCPBV-QJPTWQEYSA-N 2 1 213.369 1.009 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC000639758884 356669635 /nfs/dbraw/zinc/66/96/35/356669635.db2.gz YKDPMGSLFPIWSZ-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639761083 356675711 /nfs/dbraw/zinc/67/57/11/356675711.db2.gz CVSGYYNLXGBCTB-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761083 356675712 /nfs/dbraw/zinc/67/57/12/356675712.db2.gz CVSGYYNLXGBCTB-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761083 356675713 /nfs/dbraw/zinc/67/57/13/356675713.db2.gz CVSGYYNLXGBCTB-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000167660015 134153685 /nfs/dbraw/zinc/15/36/85/134153685.db2.gz MQEDHQMIFYPCHP-BDAKNGLRSA-N 2 1 224.270 1.856 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000423120424 192575661 /nfs/dbraw/zinc/57/56/61/192575661.db2.gz GMNDUJTZGBMNLX-DYEKYZERSA-N 2 1 246.354 1.750 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2(C)CCC2)C1 ZINC000639762137 356684729 /nfs/dbraw/zinc/68/47/29/356684729.db2.gz GQODDZQNMPQUCG-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2(C)CCC2)C1 ZINC000639762137 356684733 /nfs/dbraw/zinc/68/47/33/356684733.db2.gz GQODDZQNMPQUCG-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP c1cn(CCC[N@H+]2CCC[C@H]2c2cn[nH]c2)cn1 ZINC000639779253 356725797 /nfs/dbraw/zinc/72/57/97/356725797.db2.gz ZJPQLUWBYUZIIO-ZDUSSCGKSA-N 2 1 245.330 1.833 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623342379 356743454 /nfs/dbraw/zinc/74/34/54/356743454.db2.gz WTOPMXZZPXOXGQ-UHFFFAOYSA-N 2 1 244.342 1.747 20 0 BDADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372511 356880718 /nfs/dbraw/zinc/88/07/18/356880718.db2.gz XIJPOIQKYSNDRP-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623372511 356880720 /nfs/dbraw/zinc/88/07/20/356880720.db2.gz XIJPOIQKYSNDRP-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CC[C@H](N[C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623372511 356880723 /nfs/dbraw/zinc/88/07/23/356880723.db2.gz XIJPOIQKYSNDRP-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372511 356880724 /nfs/dbraw/zinc/88/07/24/356880724.db2.gz XIJPOIQKYSNDRP-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372511 356880725 /nfs/dbraw/zinc/88/07/25/356880725.db2.gz XIJPOIQKYSNDRP-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372508 356881225 /nfs/dbraw/zinc/88/12/25/356881225.db2.gz XIJPOIQKYSNDRP-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CC[C@@H](N[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623372508 356881227 /nfs/dbraw/zinc/88/12/27/356881227.db2.gz XIJPOIQKYSNDRP-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CC[C@@H](N[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623372508 356881230 /nfs/dbraw/zinc/88/12/30/356881230.db2.gz XIJPOIQKYSNDRP-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372508 356881234 /nfs/dbraw/zinc/88/12/34/356881234.db2.gz XIJPOIQKYSNDRP-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372508 356881236 /nfs/dbraw/zinc/88/12/36/356881236.db2.gz XIJPOIQKYSNDRP-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP [NH3+]CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423196072 192621614 /nfs/dbraw/zinc/62/16/14/192621614.db2.gz UQCSLTWVSMAEFS-NSHDSACASA-N 2 1 226.270 1.891 20 0 BDADMP CC[NH+]1CCC([N@H+](C[C@H](C)OC)C2CC2)CC1 ZINC000367790909 356959443 /nfs/dbraw/zinc/95/94/43/356959443.db2.gz JSODGFWEGFOJKA-LBPRGKRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C[C@H](C)OC)C2CC2)CC1 ZINC000367790909 356959445 /nfs/dbraw/zinc/95/94/45/356959445.db2.gz JSODGFWEGFOJKA-LBPRGKRZSA-N 2 1 240.391 1.970 20 0 BDADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119571973 357028676 /nfs/dbraw/zinc/02/86/76/357028676.db2.gz BFMIDVPFBFLHAT-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC[NH3+] ZINC000389783441 357031830 /nfs/dbraw/zinc/03/18/30/357031830.db2.gz JSTMEGMHFJWMSC-ZFWWWQNUSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCC[NH3+] ZINC000389783441 357031831 /nfs/dbraw/zinc/03/18/31/357031831.db2.gz JSTMEGMHFJWMSC-ZFWWWQNUSA-N 2 1 247.386 1.445 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000582306187 357043037 /nfs/dbraw/zinc/04/30/37/357043037.db2.gz FLXAQLXAMJNZSW-NEPJUHHUSA-N 2 1 216.369 1.325 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC1(F)CC1 ZINC000389638380 357006961 /nfs/dbraw/zinc/00/69/61/357006961.db2.gz PGCDIPPWUDTJNY-JTQLQIEISA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC1(F)CC1 ZINC000389638380 357006964 /nfs/dbraw/zinc/00/69/64/357006964.db2.gz PGCDIPPWUDTJNY-JTQLQIEISA-N 2 1 202.317 1.794 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000389971635 357076281 /nfs/dbraw/zinc/07/62/81/357076281.db2.gz CISAFUFOWDBYMA-DDHJBXDOSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000389971635 357076285 /nfs/dbraw/zinc/07/62/85/357076285.db2.gz CISAFUFOWDBYMA-DDHJBXDOSA-N 2 1 214.353 1.482 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423248209 192650836 /nfs/dbraw/zinc/65/08/36/192650836.db2.gz QJZGTMSSYSHMNY-MNOVXSKESA-N 2 1 214.353 1.388 20 0 BDADMP COC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C(C)C ZINC000423266844 192661017 /nfs/dbraw/zinc/66/10/17/192661017.db2.gz SJQXRXBVOGNIRB-NWDGAFQWSA-N 2 1 216.369 1.620 20 0 BDADMP CCC[NH+](CCC)C[C@H](O)C[N@H+](C)CC ZINC000393736202 357294641 /nfs/dbraw/zinc/29/46/41/357294641.db2.gz JMDKDMDUJWEGTB-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP CCC[NH+](CCC)C[C@H](O)C[N@@H+](C)CC ZINC000393736202 357294643 /nfs/dbraw/zinc/29/46/43/357294643.db2.gz JMDKDMDUJWEGTB-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1C ZINC000393764722 357297286 /nfs/dbraw/zinc/29/72/86/357297286.db2.gz AUSOWAMRRSVFFI-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1C ZINC000393764722 357297288 /nfs/dbraw/zinc/29/72/88/357297288.db2.gz AUSOWAMRRSVFFI-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@H]1C ZINC000393764722 357297290 /nfs/dbraw/zinc/29/72/90/357297290.db2.gz AUSOWAMRRSVFFI-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@H]1C ZINC000393764722 357297292 /nfs/dbraw/zinc/29/72/92/357297292.db2.gz AUSOWAMRRSVFFI-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CCC[C@@H]1C ZINC000584359332 357329987 /nfs/dbraw/zinc/32/99/87/357329987.db2.gz YWYYTFJLGFLINA-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CCC[C@@H]1C ZINC000584359332 357329990 /nfs/dbraw/zinc/32/99/90/357329990.db2.gz YWYYTFJLGFLINA-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000584359332 357329992 /nfs/dbraw/zinc/32/99/92/357329992.db2.gz YWYYTFJLGFLINA-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000584359332 357329993 /nfs/dbraw/zinc/32/99/93/357329993.db2.gz YWYYTFJLGFLINA-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP [NH3+]Cc1noc(CC[C@H]([NH3+])c2ccccc2)n1 ZINC000582963751 357440385 /nfs/dbraw/zinc/44/03/85/357440385.db2.gz FJWZLSDCAUCISC-JTQLQIEISA-N 2 1 232.287 1.161 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000188996300 357599865 /nfs/dbraw/zinc/59/98/65/357599865.db2.gz JTDJSVCYPPBIND-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000188996300 357599868 /nfs/dbraw/zinc/59/98/68/357599868.db2.gz JTDJSVCYPPBIND-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000233499811 357725323 /nfs/dbraw/zinc/72/53/23/357725323.db2.gz VVKUDPABUYVMNJ-HIFPTAJRSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1CO ZINC000190864228 357727372 /nfs/dbraw/zinc/72/73/72/357727372.db2.gz MKNWXNBSLNWIGJ-AGIUHOORSA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415194 357762958 /nfs/dbraw/zinc/76/29/58/357762958.db2.gz CGZQWRFJRGTXAW-OCCSQVGLSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)C2CC2)CC1(C)C ZINC000623415536 357763938 /nfs/dbraw/zinc/76/39/38/357763938.db2.gz OJUQDARWLQYNLL-OCCSQVGLSA-N 2 1 240.391 1.610 20 0 BDADMP CCC[N@@H+](CCO)CCC[NH+](CC)CC ZINC000191441168 357771318 /nfs/dbraw/zinc/77/13/18/357771318.db2.gz DCMUVVFBPULHIV-UHFFFAOYSA-N 2 1 216.369 1.423 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086110775 357853566 /nfs/dbraw/zinc/85/35/66/357853566.db2.gz FWOSHMUSRZCNPQ-PRHODGIISA-N 2 1 223.320 1.461 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086110775 357853569 /nfs/dbraw/zinc/85/35/69/357853569.db2.gz FWOSHMUSRZCNPQ-PRHODGIISA-N 2 1 223.320 1.461 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000168513820 134225318 /nfs/dbraw/zinc/22/53/18/134225318.db2.gz IBKCHMYWLIVBQT-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416039 357828929 /nfs/dbraw/zinc/82/89/29/357828929.db2.gz GTKLDSLCUREWKI-NWDGAFQWSA-N 2 1 228.380 1.610 20 0 BDADMP Cc1c[nH+]ccc1NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000192558971 357844568 /nfs/dbraw/zinc/84/45/68/357844568.db2.gz NAPZICICHVHGIO-ZDUSSCGKSA-N 2 1 248.374 1.438 20 0 BDADMP Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000168577915 134227048 /nfs/dbraw/zinc/22/70/48/134227048.db2.gz FBWFWLFFJSPHNI-MWLCHTKSSA-N 2 1 220.320 1.267 20 0 BDADMP C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000217538076 357908615 /nfs/dbraw/zinc/90/86/15/357908615.db2.gz ZRUHHLMXGSBVML-UTUOFQBUSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000217538076 357908618 /nfs/dbraw/zinc/90/86/18/357908618.db2.gz ZRUHHLMXGSBVML-UTUOFQBUSA-N 2 1 225.380 1.329 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000639971095 358020059 /nfs/dbraw/zinc/02/00/59/358020059.db2.gz NDBAJGAHMRPGCT-UHFFFAOYSA-N 2 1 247.346 1.516 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000639971095 358020060 /nfs/dbraw/zinc/02/00/60/358020060.db2.gz NDBAJGAHMRPGCT-UHFFFAOYSA-N 2 1 247.346 1.516 20 0 BDADMP COCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983063 358026545 /nfs/dbraw/zinc/02/65/45/358026545.db2.gz NUMUKFJNSLJVBM-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000220527698 358044033 /nfs/dbraw/zinc/04/40/33/358044033.db2.gz FSBLGKPXMVRLFD-MRVPVSSYSA-N 2 1 214.259 1.792 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000168735272 134247737 /nfs/dbraw/zinc/24/77/37/134247737.db2.gz VICJBFCQPBVEEP-JTQLQIEISA-N 2 1 225.361 1.683 20 0 BDADMP COCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000217747003 134249333 /nfs/dbraw/zinc/24/93/33/134249333.db2.gz RMZBIJVLGHGLDW-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623418330 358062050 /nfs/dbraw/zinc/06/20/50/358062050.db2.gz MCLOHXQQQAFCBY-XQQFMLRXSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(F)F ZINC000389930654 491121782 /nfs/dbraw/zinc/12/17/82/491121782.db2.gz ZYPPZCNHBZJHKL-IUCAKERBSA-N 2 1 220.307 1.960 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](O)C1 ZINC000170793383 134253951 /nfs/dbraw/zinc/25/39/51/134253951.db2.gz BXGSZQBCDIAJCT-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](O)C1 ZINC000170793383 134253952 /nfs/dbraw/zinc/25/39/52/134253952.db2.gz BXGSZQBCDIAJCT-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@@H](C)C1 ZINC000631669179 358183230 /nfs/dbraw/zinc/18/32/30/358183230.db2.gz HIPINKUMHUPDSN-WUHRBBMRSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623420300 358160510 /nfs/dbraw/zinc/16/05/10/358160510.db2.gz XTTGOXQOMOOQHB-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000252690419 366412227 /nfs/dbraw/zinc/41/22/27/366412227.db2.gz UXQJLXYQKHBJLG-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]([N@@H+](C)CCN1CC[NH2+]CC1)C(C)(C)C ZINC000042781576 358358182 /nfs/dbraw/zinc/35/81/82/358358182.db2.gz ZZKJSXFUOBBUST-GFCCVEGCSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@@H]1CCCO1 ZINC000044510346 358388923 /nfs/dbraw/zinc/38/89/23/358388923.db2.gz BCDMCJMCPHYNAA-UTUOFQBUSA-N 2 1 212.337 1.367 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000173952217 134277307 /nfs/dbraw/zinc/27/73/07/134277307.db2.gz FXQZOKPVTZUWGO-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000173952217 134277310 /nfs/dbraw/zinc/27/73/10/134277310.db2.gz FXQZOKPVTZUWGO-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000173952217 134277311 /nfs/dbraw/zinc/27/73/11/134277311.db2.gz FXQZOKPVTZUWGO-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000045107842 358401651 /nfs/dbraw/zinc/40/16/51/358401651.db2.gz KXKMGNGGPUYMPE-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130251864 358615082 /nfs/dbraw/zinc/61/50/82/358615082.db2.gz IKABRSCPQHLURP-MCIONIFRSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000130555917 358631669 /nfs/dbraw/zinc/63/16/69/358631669.db2.gz GKFPBMYVXCOIRY-MELADBBJSA-N 2 1 242.407 1.713 20 0 BDADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000130555510 358631687 /nfs/dbraw/zinc/63/16/87/358631687.db2.gz GKFPBMYVXCOIRY-IHRRRGAJSA-N 2 1 242.407 1.713 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)CC1 ZINC000049856235 358703416 /nfs/dbraw/zinc/70/34/16/358703416.db2.gz PKDQLYGPABERRF-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CO)C1 ZINC000049774086 358700634 /nfs/dbraw/zinc/70/06/34/358700634.db2.gz LGHIGZXFUQWJOZ-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000049774086 358700636 /nfs/dbraw/zinc/70/06/36/358700636.db2.gz LGHIGZXFUQWJOZ-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CO)C1 ZINC000049774086 358700638 /nfs/dbraw/zinc/70/06/38/358700638.db2.gz LGHIGZXFUQWJOZ-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(O)cc1 ZINC000132413564 491135899 /nfs/dbraw/zinc/13/58/99/491135899.db2.gz MUKSJVPIPXAIRB-UHFFFAOYSA-N 2 1 222.332 1.776 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOc1ccc(F)cc1 ZINC000133200516 358748152 /nfs/dbraw/zinc/74/81/52/358748152.db2.gz IZXRPTIXXJFNJJ-UHFFFAOYSA-N 2 1 226.295 1.485 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCOC1 ZINC000133302558 358750799 /nfs/dbraw/zinc/75/07/99/358750799.db2.gz FELMBQAYNXJPKN-NWDGAFQWSA-N 2 1 214.353 1.328 20 0 BDADMP C[NH2+][C@@H]1CCCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000214039366 358753299 /nfs/dbraw/zinc/75/32/99/358753299.db2.gz JPEAYWVERHJDJD-GFCCVEGCSA-N 2 1 249.358 1.582 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)CC[N@H+]1C ZINC000135074424 358819074 /nfs/dbraw/zinc/81/90/74/358819074.db2.gz GUOSSUQGAXQYOM-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP OCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246456452 359098927 /nfs/dbraw/zinc/09/89/27/359098927.db2.gz FEQFXSJEBYBJMS-TZMCWYRMSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246456452 359098931 /nfs/dbraw/zinc/09/89/31/359098931.db2.gz FEQFXSJEBYBJMS-TZMCWYRMSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246456452 359098935 /nfs/dbraw/zinc/09/89/35/359098935.db2.gz FEQFXSJEBYBJMS-TZMCWYRMSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246456452 359098941 /nfs/dbraw/zinc/09/89/41/359098941.db2.gz FEQFXSJEBYBJMS-TZMCWYRMSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000247230229 359203951 /nfs/dbraw/zinc/20/39/51/359203951.db2.gz MQKBAHHTLRKAHZ-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)O[C@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423362883 192731557 /nfs/dbraw/zinc/73/15/57/192731557.db2.gz ILNAFWKYGVYRBV-DCAQKATOSA-N 2 1 214.353 1.515 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccncc3)CC[C@H]21 ZINC000248160554 359257414 /nfs/dbraw/zinc/25/74/14/359257414.db2.gz RZYJDMAUVZYGET-LSDHHAIUSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccncc3)CC[C@H]21 ZINC000248160554 359257418 /nfs/dbraw/zinc/25/74/18/359257418.db2.gz RZYJDMAUVZYGET-LSDHHAIUSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]21 ZINC000248160554 359257419 /nfs/dbraw/zinc/25/74/19/359257419.db2.gz RZYJDMAUVZYGET-LSDHHAIUSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]21 ZINC000248160554 359257421 /nfs/dbraw/zinc/25/74/21/359257421.db2.gz RZYJDMAUVZYGET-LSDHHAIUSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCO)CC1(C)C ZINC000623436028 359328406 /nfs/dbraw/zinc/32/84/06/359328406.db2.gz AMBPPJKGDYUYRE-GFCCVEGCSA-N 2 1 242.407 1.857 20 0 BDADMP COC(C)(C)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000404298521 359455645 /nfs/dbraw/zinc/45/56/45/359455645.db2.gz FHPMFBSQHBLFEB-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423503357 192797273 /nfs/dbraw/zinc/79/72/73/192797273.db2.gz FLLXCKDHWULKAX-VXGBXAGGSA-N 2 1 227.396 1.304 20 0 BDADMP CCc1nc(NC[C@H]2CC[N@H+](C)C2)cc(C)[nH+]1 ZINC000287980791 359538370 /nfs/dbraw/zinc/53/83/70/359538370.db2.gz RHPBYFDNWQKYOV-LLVKDONJSA-N 2 1 234.347 1.711 20 0 BDADMP CCc1nc(NC[C@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000287980791 359538374 /nfs/dbraw/zinc/53/83/74/359538374.db2.gz RHPBYFDNWQKYOV-LLVKDONJSA-N 2 1 234.347 1.711 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000580434597 359545948 /nfs/dbraw/zinc/54/59/48/359545948.db2.gz BWSVEDVLSFJGMX-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CO)CC1(C)C ZINC000623467277 359673915 /nfs/dbraw/zinc/67/39/15/359673915.db2.gz BKECOZJGVCDRGG-NSHDSACASA-N 2 1 228.380 1.467 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450861097 202291787 /nfs/dbraw/zinc/29/17/87/202291787.db2.gz XVEWITVWLAMLRA-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450861098 202291238 /nfs/dbraw/zinc/29/12/38/202291238.db2.gz XVEWITVWLAMLRA-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000578355140 366537743 /nfs/dbraw/zinc/53/77/43/366537743.db2.gz ZCJROPXSZAEPJW-GXSJLCMTSA-N 2 1 248.330 1.084 20 0 BDADMP CCc1cc(N2CC[N@@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000450956901 202319072 /nfs/dbraw/zinc/31/90/72/202319072.db2.gz SIDFNSDPSDIEHX-GFCCVEGCSA-N 2 1 249.358 1.147 20 0 BDADMP CCC(O)(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000087014958 359895017 /nfs/dbraw/zinc/89/50/17/359895017.db2.gz TXMRYJPVYLCQTM-YHWZYXNKSA-N 2 1 240.391 1.752 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000578539940 366594277 /nfs/dbraw/zinc/59/42/77/366594277.db2.gz KEYXRGXKSNCKFU-AGIUHOORSA-N 2 1 228.380 1.501 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000578539941 366594656 /nfs/dbraw/zinc/59/46/56/366594656.db2.gz KEYXRGXKSNCKFU-AVGNSLFASA-N 2 1 228.380 1.501 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)CC(C)(C)CO ZINC000451248487 202387185 /nfs/dbraw/zinc/38/71/85/202387185.db2.gz CUMJFSOICYFQFS-UHFFFAOYSA-N 2 1 242.407 1.813 20 0 BDADMP CCCCC[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000089427952 360019720 /nfs/dbraw/zinc/01/97/20/360019720.db2.gz QJJAGRFXZOJCSL-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP CCCCC[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000089427952 360019725 /nfs/dbraw/zinc/01/97/25/360019725.db2.gz QJJAGRFXZOJCSL-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP CCCCC[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000089427952 360019730 /nfs/dbraw/zinc/01/97/30/360019730.db2.gz QJJAGRFXZOJCSL-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623474670 360410017 /nfs/dbraw/zinc/41/00/17/360410017.db2.gz LDMZHZKNJYCHBL-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309470662 491149251 /nfs/dbraw/zinc/14/92/51/491149251.db2.gz ANFZDJPECUVFKU-OLZOCXBDSA-N 2 1 219.332 1.741 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309470664 491149260 /nfs/dbraw/zinc/14/92/60/491149260.db2.gz ANFZDJPECUVFKU-STQMWFEESA-N 2 1 219.332 1.741 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631199388 360764854 /nfs/dbraw/zinc/76/48/54/360764854.db2.gz PUZFNLWDLAMSAG-STQMWFEESA-N 2 1 242.407 2.000 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000309585683 491151540 /nfs/dbraw/zinc/15/15/40/491151540.db2.gz RSNAJRJSZCVCFV-AAEUAGOBSA-N 2 1 226.364 1.628 20 0 BDADMP Fc1cncc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414899420 200777334 /nfs/dbraw/zinc/77/73/34/200777334.db2.gz BUCVIGQXZCXQFT-GFCCVEGCSA-N 2 1 223.295 1.452 20 0 BDADMP Cc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629387263 361039094 /nfs/dbraw/zinc/03/90/94/361039094.db2.gz GKCHALWRFBYLDW-UHFFFAOYSA-N 2 1 234.343 1.593 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000629509250 361103361 /nfs/dbraw/zinc/10/33/61/361103361.db2.gz KHIHNOGYLGOYJE-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000629509250 361103365 /nfs/dbraw/zinc/10/33/65/361103365.db2.gz KHIHNOGYLGOYJE-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)C1CC1 ZINC000629516727 361115392 /nfs/dbraw/zinc/11/53/92/361115392.db2.gz OHXPUOZJFRUZRW-GMXVVIOVSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)CCCC[NH3+] ZINC000629529104 361138571 /nfs/dbraw/zinc/13/85/71/361138571.db2.gz RTTWKHMDUKMUGS-GRYCIOLGSA-N 2 1 213.369 1.234 20 0 BDADMP C[NH2+]CCOCC[NH2+][C@@H](C)c1cscn1 ZINC000629530069 361147854 /nfs/dbraw/zinc/14/78/54/361147854.db2.gz UJXCYAISELUHAI-VIFPVBQESA-N 2 1 229.349 1.030 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000629530161 361147995 /nfs/dbraw/zinc/14/79/95/361147995.db2.gz XAFWZDMNHVNSOT-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP CCSCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000158573196 361203938 /nfs/dbraw/zinc/20/39/38/361203938.db2.gz XBASXAHPQIWQKD-JTQLQIEISA-N 2 1 202.367 1.281 20 0 BDADMP CCSCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000158564489 361203975 /nfs/dbraw/zinc/20/39/75/361203975.db2.gz LCNDXJQOCSWQAM-UHFFFAOYSA-N 2 1 202.367 1.423 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])nn1C ZINC000622044735 370676642 /nfs/dbraw/zinc/67/66/42/370676642.db2.gz QPFBBIYSFQMGNO-WCBMZHEXSA-N 2 1 210.325 1.116 20 0 BDADMP [NH3+]CCCOCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629539418 361404601 /nfs/dbraw/zinc/40/46/01/361404601.db2.gz QYJRRTWHMXUBNL-KGLIPLIRSA-N 3 1 249.358 1.086 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cccnc2N)C[C@@H]1C[NH3+] ZINC000629538994 361404869 /nfs/dbraw/zinc/40/48/69/361404869.db2.gz QQRVNNAUNGOZDJ-JQWIXIFHSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnc2N)C[C@@H]1C[NH3+] ZINC000629538994 361404872 /nfs/dbraw/zinc/40/48/72/361404872.db2.gz QQRVNNAUNGOZDJ-JQWIXIFHSA-N 2 1 234.347 1.081 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000579363969 366771150 /nfs/dbraw/zinc/77/11/50/366771150.db2.gz NNTHQUISDPFTPX-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309864591 491157673 /nfs/dbraw/zinc/15/76/73/491157673.db2.gz NYAWYFZFCLBZAK-STQMWFEESA-N 2 1 219.332 1.970 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534869 361408667 /nfs/dbraw/zinc/40/86/67/361408667.db2.gz BDQZPHTUYOJENX-WOPDTQHZSA-N 2 1 214.353 1.532 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547099 361430571 /nfs/dbraw/zinc/43/05/71/361430571.db2.gz JJMHWEGRRUUNEJ-XDQVBPFNSA-N 2 1 238.375 1.674 20 0 BDADMP CCO[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C[NH3+] ZINC000629547692 361431542 /nfs/dbraw/zinc/43/15/42/361431542.db2.gz LMEIIBVEJNHICC-CHWSQXEVSA-N 2 1 240.391 1.718 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000629548113 361432804 /nfs/dbraw/zinc/43/28/04/361432804.db2.gz CXBHBOLGZQBFBY-XQQFMLRXSA-N 2 1 225.380 1.330 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000629548113 361432807 /nfs/dbraw/zinc/43/28/07/361432807.db2.gz CXBHBOLGZQBFBY-XQQFMLRXSA-N 2 1 225.380 1.330 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)CCOCC[NH2+]C ZINC000629569354 361461641 /nfs/dbraw/zinc/46/16/41/361461641.db2.gz PVQXONGKHFZIGD-LLVKDONJSA-N 2 1 202.342 1.200 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000629572404 361463725 /nfs/dbraw/zinc/46/37/25/361463725.db2.gz RUZBSWOOZCYSAY-CLLJXQQHSA-N 2 1 226.364 1.200 20 0 BDADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000629594384 361486040 /nfs/dbraw/zinc/48/60/40/361486040.db2.gz BRRSJLIWRUKUKY-DHMVDLOISA-N 2 1 238.375 1.653 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000629647231 361536272 /nfs/dbraw/zinc/53/62/72/361536272.db2.gz NONKBFWHJWHQJY-IHRRRGAJSA-N 2 1 233.359 1.584 20 0 BDADMP COCc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)o1 ZINC000629650418 361548410 /nfs/dbraw/zinc/54/84/10/361548410.db2.gz VBPAIQPYGKNOJN-CYBMUJFWSA-N 2 1 240.347 1.889 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1=CCCOC1 ZINC000379746203 361643899 /nfs/dbraw/zinc/64/38/99/361643899.db2.gz BSVIUDNCAYNCLY-CMPLNLGQSA-N 2 1 210.321 1.145 20 0 BDADMP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000435376332 201264745 /nfs/dbraw/zinc/26/47/45/201264745.db2.gz QSTXYWQUMAWRRG-JSGCOSHPSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000435376332 201264748 /nfs/dbraw/zinc/26/47/48/201264748.db2.gz QSTXYWQUMAWRRG-JSGCOSHPSA-N 2 1 218.344 1.898 20 0 BDADMP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000435395515 201268825 /nfs/dbraw/zinc/26/88/25/201268825.db2.gz TUTIHUOZBYKCQA-ZIAGYGMSSA-N 3 1 239.407 1.450 20 0 BDADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000435395515 201268827 /nfs/dbraw/zinc/26/88/27/201268827.db2.gz TUTIHUOZBYKCQA-ZIAGYGMSSA-N 3 1 239.407 1.450 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000435626580 201279353 /nfs/dbraw/zinc/27/93/53/201279353.db2.gz OXKBLVGRDNFVGX-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154338282 201275278 /nfs/dbraw/zinc/27/52/78/201275278.db2.gz VAFBFERLLLHSLN-XQQFMLRXSA-N 2 1 230.396 1.713 20 0 BDADMP N[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)c2ccccc21 ZINC000132085737 181342769 /nfs/dbraw/zinc/34/27/69/181342769.db2.gz BIWBCXLRUHKBDH-HBGGEXNNSA-N 2 1 245.370 1.991 20 0 BDADMP [NH3+]C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000037363975 181345432 /nfs/dbraw/zinc/34/54/32/181345432.db2.gz TZXBALTUSCDXLU-UHFFFAOYSA-N 2 1 232.327 1.545 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(N)=[NH2+] ZINC000630387439 364101744 /nfs/dbraw/zinc/10/17/44/364101744.db2.gz PFNHCASMYODGPN-YPMHNXCESA-N 2 1 246.358 1.238 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@@H]2CCC[C@H]21 ZINC000631670583 364203625 /nfs/dbraw/zinc/20/36/25/364203625.db2.gz BSZCCDXLUBVNHK-ZUWCUPBKSA-N 2 1 238.375 1.220 20 0 BDADMP Cc1cc(N[C@@H]2CC[NH2+][C@H]2C)nc(C)[nH+]1 ZINC000630547163 364240358 /nfs/dbraw/zinc/24/03/58/364240358.db2.gz ZVEJICKSPGFYDL-WCBMZHEXSA-N 2 1 206.293 1.256 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181839436 366850406 /nfs/dbraw/zinc/85/04/06/366850406.db2.gz WTCZQHHFIMKYOF-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181839436 366850411 /nfs/dbraw/zinc/85/04/11/366850411.db2.gz WTCZQHHFIMKYOF-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@@H](CCCCO)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398996356 364666747 /nfs/dbraw/zinc/66/67/47/364666747.db2.gz ABZANKVCYRDBBM-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C[NH2+]1 ZINC000398994565 364666853 /nfs/dbraw/zinc/66/68/53/364666853.db2.gz NXDZCYAVUYTQQW-ZYGVAYEYSA-N 2 1 212.337 1.020 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000335007726 541419479 /nfs/dbraw/zinc/41/94/79/541419479.db2.gz IQOXLROMUQNURM-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP [NH3+]CCCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000037038091 181381561 /nfs/dbraw/zinc/38/15/61/181381561.db2.gz KMAZINUGKUWEEW-UHFFFAOYSA-N 2 1 247.386 1.543 20 0 BDADMP [NH3+]CCC[NH2+]Cc1ccc(F)cc1F ZINC000037713075 181383402 /nfs/dbraw/zinc/38/34/02/181383402.db2.gz QOLZTBUOPSBRAA-UHFFFAOYSA-N 2 1 200.232 1.403 20 0 BDADMP [NH3+]CCCc1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000034939122 181386983 /nfs/dbraw/zinc/38/69/83/181386983.db2.gz OSNQNKCPDQQDMS-UHFFFAOYSA-N 2 1 247.298 1.616 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000574845645 365158151 /nfs/dbraw/zinc/15/81/51/365158151.db2.gz HXXFXQRORCVPFG-KGLIPLIRSA-N 2 1 241.423 1.458 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C(C)(C)C(=O)N(C)C ZINC000574772458 365143374 /nfs/dbraw/zinc/14/33/74/365143374.db2.gz KHXMDCCNEOYPKY-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000443064590 193013049 /nfs/dbraw/zinc/01/30/49/193013049.db2.gz YKAKGQXQHHUCOG-AWEZNQCLSA-N 3 1 239.407 1.437 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000172198231 365300247 /nfs/dbraw/zinc/30/02/47/365300247.db2.gz MAVGQAZEPRSWMW-STQMWFEESA-N 2 1 208.349 1.979 20 0 BDADMP C[C@H]([NH2+]CCOCC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000579580618 366886921 /nfs/dbraw/zinc/88/69/21/366886921.db2.gz KKBJLOYFALGNKP-AAEUAGOBSA-N 2 1 226.364 1.533 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)CC ZINC000379884321 365337294 /nfs/dbraw/zinc/33/72/94/365337294.db2.gz XJGAIUWSGRQMME-NSHDSACASA-N 2 1 216.369 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)CC ZINC000379884321 365337295 /nfs/dbraw/zinc/33/72/95/365337295.db2.gz XJGAIUWSGRQMME-NSHDSACASA-N 2 1 216.369 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)CC ZINC000379884321 365337297 /nfs/dbraw/zinc/33/72/97/365337297.db2.gz XJGAIUWSGRQMME-NSHDSACASA-N 2 1 216.369 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)CC ZINC000379884321 365337298 /nfs/dbraw/zinc/33/72/98/365337298.db2.gz XJGAIUWSGRQMME-NSHDSACASA-N 2 1 216.369 1.419 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192457941 365382610 /nfs/dbraw/zinc/38/26/10/365382610.db2.gz KKXDPIRBLHZGIG-SMDDNHRTSA-N 2 1 238.375 1.628 20 0 BDADMP C(C1CCC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887777 370852002 /nfs/dbraw/zinc/85/20/02/370852002.db2.gz QGVDHSQRBYQSAE-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP C(C1CCC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887777 370852007 /nfs/dbraw/zinc/85/20/07/370852007.db2.gz QGVDHSQRBYQSAE-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000380582975 367247066 /nfs/dbraw/zinc/24/70/66/367247066.db2.gz YFPRKHLIUSXLMD-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH+]1CCC(CCO)([NH2+]C2CCCCC2)CC1 ZINC000581499036 367526216 /nfs/dbraw/zinc/52/62/16/367526216.db2.gz RCRFAPIIDUWTCZ-UHFFFAOYSA-N 2 1 240.391 1.756 20 0 BDADMP C[NH2+]CCSCC[C@@H]1CCCC[N@H+]1C ZINC000382643469 367549040 /nfs/dbraw/zinc/54/90/40/367549040.db2.gz GTSNYZPXDONOHQ-NSHDSACASA-N 2 1 216.394 1.813 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCC[NH3+] ZINC000382659669 367552310 /nfs/dbraw/zinc/55/23/10/367552310.db2.gz FEVWLZFFFQMOGT-CQSZACIVSA-N 2 1 247.386 1.542 20 0 BDADMP CC[N@H+](C)C[C@@H](O)CN(C)CCCOC(C)C ZINC000382820087 367560767 /nfs/dbraw/zinc/56/07/67/367560767.db2.gz WXPMEBJQGFQVCR-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN(C)CCCOC(C)C ZINC000382820087 367560769 /nfs/dbraw/zinc/56/07/69/367560769.db2.gz WXPMEBJQGFQVCR-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCOC(C)C ZINC000382820087 367560775 /nfs/dbraw/zinc/56/07/75/367560775.db2.gz WXPMEBJQGFQVCR-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCOC(C)C ZINC000382820087 367560779 /nfs/dbraw/zinc/56/07/79/367560779.db2.gz WXPMEBJQGFQVCR-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCOC(C)C ZINC000382820087 367560785 /nfs/dbraw/zinc/56/07/85/367560785.db2.gz WXPMEBJQGFQVCR-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCOC(C)C ZINC000382820087 367560791 /nfs/dbraw/zinc/56/07/91/367560791.db2.gz WXPMEBJQGFQVCR-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP COc1ccc(C)cc1C[N@H+](C)C1CC([NH3+])C1 ZINC000384948879 367762689 /nfs/dbraw/zinc/76/26/89/367762689.db2.gz FXUUEDUBEZSAKU-UHFFFAOYSA-N 2 1 234.343 1.925 20 0 BDADMP COc1ccc(C)cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000384948879 367762696 /nfs/dbraw/zinc/76/26/96/367762696.db2.gz FXUUEDUBEZSAKU-UHFFFAOYSA-N 2 1 234.343 1.925 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000384660309 367713078 /nfs/dbraw/zinc/71/30/78/367713078.db2.gz VWZKBCRDYOEPIF-GMXVVIOVSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](C)O1 ZINC000384678936 367715016 /nfs/dbraw/zinc/71/50/16/367715016.db2.gz AAZFELAOJPBSTM-CLPYTZEMSA-N 2 1 226.364 1.625 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](C)O1 ZINC000384678936 367715024 /nfs/dbraw/zinc/71/50/24/367715024.db2.gz AAZFELAOJPBSTM-CLPYTZEMSA-N 2 1 226.364 1.625 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)O1 ZINC000384678938 367715230 /nfs/dbraw/zinc/71/52/30/367715230.db2.gz AAZFELAOJPBSTM-OFTGVCEQSA-N 2 1 226.364 1.625 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)O1 ZINC000384678938 367715237 /nfs/dbraw/zinc/71/52/37/367715237.db2.gz AAZFELAOJPBSTM-OFTGVCEQSA-N 2 1 226.364 1.625 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC000399176053 367851296 /nfs/dbraw/zinc/85/12/96/367851296.db2.gz JUMAUHPUENDMIB-YIYPIFLZSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC000399176056 367851561 /nfs/dbraw/zinc/85/15/61/367851561.db2.gz JUMAUHPUENDMIB-ZOBORPQBSA-N 2 1 237.391 1.343 20 0 BDADMP CSC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386105129 367912838 /nfs/dbraw/zinc/91/28/38/367912838.db2.gz KMFHGSYAOUTHPU-AXFHLTTASA-N 2 1 216.394 1.858 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386027233 367900453 /nfs/dbraw/zinc/90/04/53/367900453.db2.gz QAVVDMFQRATZKP-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386626280 368003842 /nfs/dbraw/zinc/00/38/42/368003842.db2.gz ZBPMNZRBDOMQHV-AVGNSLFASA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+](C)[C@H](C[NH3+])C2CC2)O1 ZINC000253168901 368581413 /nfs/dbraw/zinc/58/14/13/368581413.db2.gz BDHXPGRNKLXTBL-YUSALJHKSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@H](C[NH3+])C2CC2)O1 ZINC000253168901 368581415 /nfs/dbraw/zinc/58/14/15/368581415.db2.gz BDHXPGRNKLXTBL-YUSALJHKSA-N 2 1 212.337 1.223 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402107 368879717 /nfs/dbraw/zinc/87/97/17/368879717.db2.gz UHNURHIVYYERQM-YNEHKIRRSA-N 2 1 225.380 1.330 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402107 368879722 /nfs/dbraw/zinc/87/97/22/368879722.db2.gz UHNURHIVYYERQM-YNEHKIRRSA-N 2 1 225.380 1.330 20 0 BDADMP OC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000087459860 368894414 /nfs/dbraw/zinc/89/44/14/368894414.db2.gz ZTFWISQTTQEWAV-LBPRGKRZSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084220979 368850121 /nfs/dbraw/zinc/85/01/21/368850121.db2.gz KOYWEZJWOHNORG-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084220979 368850123 /nfs/dbraw/zinc/85/01/23/368850123.db2.gz KOYWEZJWOHNORG-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084220979 368850128 /nfs/dbraw/zinc/85/01/28/368850128.db2.gz KOYWEZJWOHNORG-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000631823813 368986040 /nfs/dbraw/zinc/98/60/40/368986040.db2.gz OJNSLMQIONPSEE-XQQFMLRXSA-N 2 1 246.358 1.344 20 0 BDADMP CC[C@H]1C[N@H+](Cc2nccnc2C)CC[C@H]1[NH3+] ZINC000631824912 368987159 /nfs/dbraw/zinc/98/71/59/368987159.db2.gz UEVSIOUPKQFSRU-NWDGAFQWSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2nccnc2C)CC[C@H]1[NH3+] ZINC000631824912 368987162 /nfs/dbraw/zinc/98/71/62/368987162.db2.gz UEVSIOUPKQFSRU-NWDGAFQWSA-N 2 1 234.347 1.344 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000623655647 368991474 /nfs/dbraw/zinc/99/14/74/368991474.db2.gz BBHLJHBIVXEUAQ-CYBMUJFWSA-N 2 1 238.375 1.655 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000459344496 203263781 /nfs/dbraw/zinc/26/37/81/203263781.db2.gz NRXPSPZMEAAWKT-LBPRGKRZSA-N 2 1 221.348 1.941 20 0 BDADMP OCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000459489134 203288745 /nfs/dbraw/zinc/28/87/45/203288745.db2.gz VDGDSBLTEJCPIC-UHFFFAOYSA-N 2 1 238.375 1.365 20 0 BDADMP CCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107576738 369354179 /nfs/dbraw/zinc/35/41/79/369354179.db2.gz YAVKIKFJLVEZGG-ZIAGYGMSSA-N 2 1 246.354 1.737 20 0 BDADMP CC(C)CCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841831 369358518 /nfs/dbraw/zinc/35/85/18/369358518.db2.gz QPKXXJWCSCLMEJ-CHWSQXEVSA-N 2 1 228.380 1.576 20 0 BDADMP CN1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459741239 203349358 /nfs/dbraw/zinc/34/93/58/203349358.db2.gz VFLSDPKMYGVKIE-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459741239 203349361 /nfs/dbraw/zinc/34/93/61/203349361.db2.gz VFLSDPKMYGVKIE-ZDUSSCGKSA-N 3 1 239.407 1.402 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459741239 203349368 /nfs/dbraw/zinc/34/93/68/203349368.db2.gz VFLSDPKMYGVKIE-ZDUSSCGKSA-N 3 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000631861734 369469841 /nfs/dbraw/zinc/46/98/41/369469841.db2.gz HZGRMGKPHJJMHK-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000631861734 369469847 /nfs/dbraw/zinc/46/98/47/369469847.db2.gz HZGRMGKPHJJMHK-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000631861734 369469852 /nfs/dbraw/zinc/46/98/52/369469852.db2.gz HZGRMGKPHJJMHK-YPMHNXCESA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000631861734 369469856 /nfs/dbraw/zinc/46/98/56/369469856.db2.gz HZGRMGKPHJJMHK-YPMHNXCESA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cscn2)C1 ZINC000459727985 203343757 /nfs/dbraw/zinc/34/37/57/203343757.db2.gz HWKHJAOBYPWATO-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP COC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459783434 203345443 /nfs/dbraw/zinc/34/54/43/203345443.db2.gz NDWKDOYFNMFGDC-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000459736401 203346260 /nfs/dbraw/zinc/34/62/60/203346260.db2.gz GDADDZFHDHLJBK-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP Cn1ccnc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459734838 203347493 /nfs/dbraw/zinc/34/74/93/203347493.db2.gz OPJSYLQVXALIQN-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP COC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459783428 203366958 /nfs/dbraw/zinc/36/69/58/203366958.db2.gz NDWKDOYFNMFGDC-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794075 203369726 /nfs/dbraw/zinc/36/97/26/203369726.db2.gz WKUMNESDURCBIS-VZZFWQQMSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794075 203369729 /nfs/dbraw/zinc/36/97/29/203369729.db2.gz WKUMNESDURCBIS-VZZFWQQMSA-N 2 1 238.375 1.220 20 0 BDADMP Cc1noc(CCC[NH2+][C@@](C)(C[NH3+])C2CC2)n1 ZINC000567897506 326278745 /nfs/dbraw/zinc/27/87/45/326278745.db2.gz YOIWELDOVCJCHW-LBPRGKRZSA-N 2 1 238.335 1.028 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)no1 ZINC000252866243 370136993 /nfs/dbraw/zinc/13/69/93/370136993.db2.gz QFHPTXPZFMQHIQ-DRZSPHRISA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)no1 ZINC000252866243 370136999 /nfs/dbraw/zinc/13/69/99/370136999.db2.gz QFHPTXPZFMQHIQ-DRZSPHRISA-N 2 1 235.331 1.542 20 0 BDADMP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCCCO1 ZINC000631867441 370229453 /nfs/dbraw/zinc/22/94/53/370229453.db2.gz UWSKKSRMYBRNRW-UPJWGTAASA-N 2 1 224.348 1.287 20 0 BDADMP CCc1nc(NCC2([NH2+]C)CCC2)cc(C)[nH+]1 ZINC000621324655 370254467 /nfs/dbraw/zinc/25/44/67/370254467.db2.gz UXHMYTJRROZDPY-UHFFFAOYSA-N 2 1 234.347 1.323 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000309805193 370263110 /nfs/dbraw/zinc/26/31/10/370263110.db2.gz RZALYVBQYPKAIV-QJPTWQEYSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309885099 370272166 /nfs/dbraw/zinc/27/21/66/370272166.db2.gz XRFCBWKWMYPXQO-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1CO ZINC000621372526 370311295 /nfs/dbraw/zinc/31/12/95/370311295.db2.gz XBEQLIWEWXGXTF-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1CO ZINC000621372526 370311302 /nfs/dbraw/zinc/31/13/02/370311302.db2.gz XBEQLIWEWXGXTF-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1CO ZINC000621372526 370311305 /nfs/dbraw/zinc/31/13/05/370311305.db2.gz XBEQLIWEWXGXTF-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311218271 370394456 /nfs/dbraw/zinc/39/44/56/370394456.db2.gz OCPPLVNRBWYBQS-BETUJISGSA-N 2 1 248.374 1.334 20 0 BDADMP CCn1nccc1CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000621775051 370521752 /nfs/dbraw/zinc/52/17/52/370521752.db2.gz DZTHIYRDMJJNIS-ZDUSSCGKSA-N 2 1 236.363 1.163 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC000621779839 370529047 /nfs/dbraw/zinc/52/90/47/370529047.db2.gz JXMCNHVMVABRBM-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP CCCCOCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779301 370529133 /nfs/dbraw/zinc/52/91/33/370529133.db2.gz COTVNKOAGKRFOA-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779301 370529136 /nfs/dbraw/zinc/52/91/36/370529136.db2.gz COTVNKOAGKRFOA-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)CCOCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783184 370532507 /nfs/dbraw/zinc/53/25/07/370532507.db2.gz YGCMPMDBPDFOJQ-KBPBESRZSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783184 370532509 /nfs/dbraw/zinc/53/25/09/370532509.db2.gz YGCMPMDBPDFOJQ-KBPBESRZSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784477 370535388 /nfs/dbraw/zinc/53/53/88/370535388.db2.gz PNJUQRKJEWUDRJ-IHRRRGAJSA-N 3 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784477 370535391 /nfs/dbraw/zinc/53/53/91/370535391.db2.gz PNJUQRKJEWUDRJ-IHRRRGAJSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784477 370535393 /nfs/dbraw/zinc/53/53/93/370535393.db2.gz PNJUQRKJEWUDRJ-IHRRRGAJSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCc1ccncc1)C2 ZINC000621784319 370535420 /nfs/dbraw/zinc/53/54/20/370535420.db2.gz NBSKITPRTZEXAD-LSDHHAIUSA-N 2 1 245.370 1.827 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000621784319 370535425 /nfs/dbraw/zinc/53/54/25/370535425.db2.gz NBSKITPRTZEXAD-LSDHHAIUSA-N 2 1 245.370 1.827 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ncc[nH]1 ZINC000631878836 370575829 /nfs/dbraw/zinc/57/58/29/370575829.db2.gz BCEHXMJTUZCVIS-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ncc[nH]1 ZINC000631878836 370575832 /nfs/dbraw/zinc/57/58/32/370575832.db2.gz BCEHXMJTUZCVIS-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890871 371096024 /nfs/dbraw/zinc/09/60/24/371096024.db2.gz UFEXHDAMKQVRMW-DGAVXFQQSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890871 371096028 /nfs/dbraw/zinc/09/60/28/371096028.db2.gz UFEXHDAMKQVRMW-DGAVXFQQSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623823857 371108392 /nfs/dbraw/zinc/10/83/92/371108392.db2.gz NBRKPEBHVKVUNN-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631057138 371182606 /nfs/dbraw/zinc/18/26/06/371182606.db2.gz YGYHNRQVMJIKOD-CYBMUJFWSA-N 2 1 249.358 1.607 20 0 BDADMP CCSCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000390757078 371232049 /nfs/dbraw/zinc/23/20/49/371232049.db2.gz INPZMJUHMQWGTH-UHFFFAOYSA-N 2 1 228.405 1.956 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624121568 371323609 /nfs/dbraw/zinc/32/36/09/371323609.db2.gz YCDAOMTVHCDZAJ-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000624124141 371324351 /nfs/dbraw/zinc/32/43/51/371324351.db2.gz YHYMGVRBLXJBCG-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP c1n[nH]cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000624214723 371401103 /nfs/dbraw/zinc/40/11/03/371401103.db2.gz BETPBBAIFSOKLN-UHFFFAOYSA-N 2 1 234.347 1.374 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000624298605 371464429 /nfs/dbraw/zinc/46/44/29/371464429.db2.gz VRKSCPQFPRWGPP-BJDJZHNGSA-N 2 1 212.337 1.236 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000624298605 371464436 /nfs/dbraw/zinc/46/44/36/371464436.db2.gz VRKSCPQFPRWGPP-BJDJZHNGSA-N 2 1 212.337 1.236 20 0 BDADMP CC[NH+]1CCC([NH2+]CC(C)(C)F)CC1 ZINC000631661036 372486835 /nfs/dbraw/zinc/48/68/35/372486835.db2.gz ZUARZEMZAQKPCJ-UHFFFAOYSA-N 2 1 202.317 1.808 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000631666640 372492463 /nfs/dbraw/zinc/49/24/63/372492463.db2.gz GNYWTRUUYMDDCO-MGPQQGTHSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000631827835 372607880 /nfs/dbraw/zinc/60/78/80/372607880.db2.gz XTARFWQPDZRXNI-LOWDOPEQSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000631827835 372607881 /nfs/dbraw/zinc/60/78/81/372607881.db2.gz XTARFWQPDZRXNI-LOWDOPEQSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631828451 372609257 /nfs/dbraw/zinc/60/92/57/372609257.db2.gz PGVHPCOJPVSGSX-NDBYEHHHSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000631829656 372611523 /nfs/dbraw/zinc/61/15/23/372611523.db2.gz WZYAIWYTKQNGMI-RFGFWPKPSA-N 2 1 240.391 1.861 20 0 BDADMP Cn1cc(CC[N@@H+]2CCCCC[C@H]([NH3+])C2)cn1 ZINC000631833494 372618187 /nfs/dbraw/zinc/61/81/87/372618187.db2.gz BLAFIZUPVCDLTL-ZDUSSCGKSA-N 2 1 236.363 1.166 20 0 BDADMP Cn1cc(CC[N@H+]2CCCCC[C@H]([NH3+])C2)cn1 ZINC000631833494 372618193 /nfs/dbraw/zinc/61/81/93/372618193.db2.gz BLAFIZUPVCDLTL-ZDUSSCGKSA-N 2 1 236.363 1.166 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000631834053 372618540 /nfs/dbraw/zinc/61/85/40/372618540.db2.gz NUDNSFAPILJSJK-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+][C@@H]1CCCCCN(C[C@@H]2CCOC2)C1 ZINC000631834053 372618547 /nfs/dbraw/zinc/61/85/47/372618547.db2.gz NUDNSFAPILJSJK-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000631838919 372634242 /nfs/dbraw/zinc/63/42/42/372634242.db2.gz XAGHLCJSYKFIPX-ZYHUDNBSSA-N 2 1 219.332 1.295 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000631861447 372662185 /nfs/dbraw/zinc/66/21/85/372662185.db2.gz BNTSWGUKFKTLDW-ADEWGFFLSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000631861447 372662192 /nfs/dbraw/zinc/66/21/92/372662192.db2.gz BNTSWGUKFKTLDW-ADEWGFFLSA-N 2 1 212.337 1.223 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888312 372681270 /nfs/dbraw/zinc/68/12/70/372681270.db2.gz UZULZNPVMFFOGI-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP COCCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888312 372681273 /nfs/dbraw/zinc/68/12/73/372681273.db2.gz UZULZNPVMFFOGI-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889594 372684283 /nfs/dbraw/zinc/68/42/83/372684283.db2.gz IAJHASGRQBHRHL-XQHKEYJVSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889594 372684290 /nfs/dbraw/zinc/68/42/90/372684290.db2.gz IAJHASGRQBHRHL-XQHKEYJVSA-N 2 1 208.349 1.716 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889691 372685246 /nfs/dbraw/zinc/68/52/46/372685246.db2.gz LOZCJTGBPAKXPT-DZGCQCFKSA-N 2 1 245.370 1.843 20 0 BDADMP Cc1cn[nH]c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459777141 206016346 /nfs/dbraw/zinc/01/63/46/206016346.db2.gz KCNHDIMEWWGJIU-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459777141 206016349 /nfs/dbraw/zinc/01/63/49/206016349.db2.gz KCNHDIMEWWGJIU-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459777141 206016353 /nfs/dbraw/zinc/01/63/53/206016353.db2.gz KCNHDIMEWWGJIU-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP OCC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000132299896 183069888 /nfs/dbraw/zinc/06/98/88/183069888.db2.gz YOIHEWBBHKPKAO-UHFFFAOYSA-N 2 1 248.370 1.481 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000104126190 169006330 /nfs/dbraw/zinc/00/63/30/169006330.db2.gz FINTXCNCPRWJBV-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104126190 169006331 /nfs/dbraw/zinc/00/63/31/169006331.db2.gz FINTXCNCPRWJBV-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](CC)CC ZINC000352380134 169074279 /nfs/dbraw/zinc/07/42/79/169074279.db2.gz GWOKFDXFJZTBFM-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[N@@H+](CCn1cccn1)C1CC[NH2+]CC1 ZINC000049326171 169170188 /nfs/dbraw/zinc/17/01/88/169170188.db2.gz FBLAVVBGIOUBGO-UHFFFAOYSA-N 2 1 236.363 1.347 20 0 BDADMP CCC[N@H+](CCn1cc[nH+]c1C)CC(C)(C)O ZINC000336718373 169171653 /nfs/dbraw/zinc/17/16/53/169171653.db2.gz ZYLHXLPAACMIRG-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP CCC[N@@H+](CCn1cc[nH+]c1C)CC(C)(C)O ZINC000336718373 169171655 /nfs/dbraw/zinc/17/16/55/169171655.db2.gz ZYLHXLPAACMIRG-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP CCCN1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000336652774 169189113 /nfs/dbraw/zinc/18/91/13/169189113.db2.gz JAOPWBFRRLYORV-GFCCVEGCSA-N 2 1 227.396 1.578 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000336495842 183326636 /nfs/dbraw/zinc/32/66/36/183326636.db2.gz NXTMTGNPGYLGME-QWHCGFSZSA-N 3 1 248.374 1.589 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCOC ZINC000336779520 169199425 /nfs/dbraw/zinc/19/94/25/169199425.db2.gz ONRUVLDRYVZTJP-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCOC ZINC000336779520 169199427 /nfs/dbraw/zinc/19/94/27/169199427.db2.gz ONRUVLDRYVZTJP-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[NH3+])c2C1 ZINC000166720540 169211040 /nfs/dbraw/zinc/21/10/40/169211040.db2.gz RKYIBPVCXWXDGE-JTQLQIEISA-N 2 1 247.342 1.698 20 0 BDADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[NH3+])c2C1 ZINC000166720540 169211041 /nfs/dbraw/zinc/21/10/41/169211041.db2.gz RKYIBPVCXWXDGE-JTQLQIEISA-N 2 1 247.342 1.698 20 0 BDADMP CCC[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336767107 169360049 /nfs/dbraw/zinc/36/00/49/169360049.db2.gz SFECHKSTBYZYSU-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CCC[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336767107 169360050 /nfs/dbraw/zinc/36/00/50/169360050.db2.gz SFECHKSTBYZYSU-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP COC1CC([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000220829140 134316346 /nfs/dbraw/zinc/31/63/46/134316346.db2.gz LAHVARPHNANUKI-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP CCn1nccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345154644 383842427 /nfs/dbraw/zinc/84/24/27/383842427.db2.gz AGACSRJJTYSHJM-UHFFFAOYSA-N 2 1 234.347 1.255 20 0 BDADMP C[N@H+](Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000036771403 383909772 /nfs/dbraw/zinc/90/97/72/383909772.db2.gz KQZVJTSAKLXTHW-UHFFFAOYSA-N 2 1 219.332 1.513 20 0 BDADMP Cc1cc(N2CCC(C[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000339025340 383886395 /nfs/dbraw/zinc/88/63/95/383886395.db2.gz HBFFESYLNJQFRR-UHFFFAOYSA-N 2 1 248.374 1.871 20 0 BDADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305123178 384013364 /nfs/dbraw/zinc/01/33/64/384013364.db2.gz KGHWGXXFLOSPLK-IGQOVBAYSA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000079014982 384128145 /nfs/dbraw/zinc/12/81/45/384128145.db2.gz VXDYQOGBMBFZCG-UTUOFQBUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000079014982 384128149 /nfs/dbraw/zinc/12/81/49/384128149.db2.gz VXDYQOGBMBFZCG-UTUOFQBUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000079014982 384128155 /nfs/dbraw/zinc/12/81/55/384128155.db2.gz VXDYQOGBMBFZCG-UTUOFQBUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000079014982 384128160 /nfs/dbraw/zinc/12/81/60/384128160.db2.gz VXDYQOGBMBFZCG-UTUOFQBUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305287233 384165052 /nfs/dbraw/zinc/16/50/52/384165052.db2.gz DBNPCGQTBCZYEG-REWJHTLYSA-N 2 1 240.391 1.610 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000401874188 384187518 /nfs/dbraw/zinc/18/75/18/384187518.db2.gz MJQOTGKXNKWGEW-LLVKDONJSA-N 2 1 237.347 1.510 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOC(C)C)C1 ZINC000173921960 384288576 /nfs/dbraw/zinc/28/85/76/384288576.db2.gz UBOYXHDSIFYJKC-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000335603047 384373589 /nfs/dbraw/zinc/37/35/89/384373589.db2.gz ISLDQBLSBJIEDR-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000228859963 384346445 /nfs/dbraw/zinc/34/64/45/384346445.db2.gz JKJUWQZSVRBYSR-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP Cc1nccc(NCc2cncn2C)c1Cl ZINC000335599741 384370330 /nfs/dbraw/zinc/37/03/30/384370330.db2.gz FZCHGJKVGVZHHQ-UHFFFAOYSA-N 2 1 236.706 1.811 20 0 BDADMP CSCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000172629499 384391919 /nfs/dbraw/zinc/39/19/19/384391919.db2.gz NKENRNHYCOCTDA-NSHDSACASA-N 2 1 216.394 1.623 20 0 BDADMP CSCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000172629499 384391927 /nfs/dbraw/zinc/39/19/27/384391927.db2.gz NKENRNHYCOCTDA-NSHDSACASA-N 2 1 216.394 1.623 20 0 BDADMP CSCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000172629499 384391930 /nfs/dbraw/zinc/39/19/30/384391930.db2.gz NKENRNHYCOCTDA-NSHDSACASA-N 2 1 216.394 1.623 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000084385153 384392371 /nfs/dbraw/zinc/39/23/71/384392371.db2.gz ACHTYNPLBYCOLM-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)[C@H](C)C1 ZINC000449430543 384395536 /nfs/dbraw/zinc/39/55/36/384395536.db2.gz XTZRRXDPPUKQCH-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000309188850 384415861 /nfs/dbraw/zinc/41/58/61/384415861.db2.gz BWKURIZWCQXTPH-OLZOCXBDSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000309188850 384415864 /nfs/dbraw/zinc/41/58/64/384415864.db2.gz BWKURIZWCQXTPH-OLZOCXBDSA-N 2 1 228.380 1.874 20 0 BDADMP Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084220279 384378097 /nfs/dbraw/zinc/37/80/97/384378097.db2.gz PPSUVLNZMOZAAS-NXEZZACHSA-N 2 1 225.361 1.669 20 0 BDADMP c1cc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000628191172 384452072 /nfs/dbraw/zinc/45/20/72/384452072.db2.gz BMCCACMREPQQGB-OKILXGFUSA-N 2 1 241.338 1.819 20 0 BDADMP CC[NH+](CC)CC(=O)NCC[N@@H+](CC)C(C)C ZINC000102479701 384474397 /nfs/dbraw/zinc/47/43/97/384474397.db2.gz WZNGPDMZUCPEFS-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000449241318 384497647 /nfs/dbraw/zinc/49/76/47/384497647.db2.gz ARDXRQZMXDPLTG-RQJABVFESA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000449241318 384497652 /nfs/dbraw/zinc/49/76/52/384497652.db2.gz ARDXRQZMXDPLTG-RQJABVFESA-N 2 1 240.391 1.467 20 0 BDADMP COCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150785188 384506559 /nfs/dbraw/zinc/50/65/59/384506559.db2.gz ISHDKPSJLSTFEK-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc2cccnc21 ZINC000162046187 384552786 /nfs/dbraw/zinc/55/27/86/384552786.db2.gz MQYYDJKOJFGAJN-JTQLQIEISA-N 2 1 215.300 1.672 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423084326 384566205 /nfs/dbraw/zinc/56/62/05/384566205.db2.gz HRRGRUBOBYZHIM-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000154351107 384610770 /nfs/dbraw/zinc/61/07/70/384610770.db2.gz HGWCZQSNAUHRKR-MELADBBJSA-N 2 1 240.391 1.467 20 0 BDADMP C1=CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355569183 384599989 /nfs/dbraw/zinc/59/99/89/384599989.db2.gz QISSATSEUZNSFC-CABCVRRESA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[N@H+](CCN[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000355569183 384599993 /nfs/dbraw/zinc/59/99/93/384599993.db2.gz QISSATSEUZNSFC-CABCVRRESA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[N@@H+](CCN[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000355569183 384599998 /nfs/dbraw/zinc/59/99/98/384599998.db2.gz QISSATSEUZNSFC-CABCVRRESA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[NH+](CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355569183 384600001 /nfs/dbraw/zinc/60/00/01/384600001.db2.gz QISSATSEUZNSFC-CABCVRRESA-N 2 1 249.402 1.465 20 0 BDADMP C1=CC[NH+](CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355569183 384600006 /nfs/dbraw/zinc/60/00/06/384600006.db2.gz QISSATSEUZNSFC-CABCVRRESA-N 2 1 249.402 1.465 20 0 BDADMP Cn1cccc1CNC1CC[NH+](C2CC2)CC1 ZINC000050595774 384635173 /nfs/dbraw/zinc/63/51/73/384635173.db2.gz HXXPMITUIFINJY-UHFFFAOYSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000050595774 384635177 /nfs/dbraw/zinc/63/51/77/384635177.db2.gz HXXPMITUIFINJY-UHFFFAOYSA-N 2 1 233.359 1.742 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000309678204 384725113 /nfs/dbraw/zinc/72/51/13/384725113.db2.gz YPJUAKSTNSXSAV-CYBMUJFWSA-N 2 1 224.348 1.265 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086725457 384679957 /nfs/dbraw/zinc/67/99/57/384679957.db2.gz YIAMFISHEZWLON-QWRGUYRKSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309885090 384691274 /nfs/dbraw/zinc/69/12/74/384691274.db2.gz XRFCBWKWMYPXQO-LOWDOPEQSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000082666701 384700092 /nfs/dbraw/zinc/70/00/92/384700092.db2.gz FTJKMHYEHSAXCJ-CYBMUJFWSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000082666701 384700096 /nfs/dbraw/zinc/70/00/96/384700096.db2.gz FTJKMHYEHSAXCJ-CYBMUJFWSA-N 2 1 219.332 1.656 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)[C@@H](C)C[NH3+])c1 ZINC000125525291 384727195 /nfs/dbraw/zinc/72/71/95/384727195.db2.gz FZHJYZPRKUPWHB-JTQLQIEISA-N 2 1 223.320 1.178 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543236 384712005 /nfs/dbraw/zinc/71/20/05/384712005.db2.gz JTMPWXFWGRHZDY-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP COCCOCC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315960425 384719586 /nfs/dbraw/zinc/71/95/86/384719586.db2.gz WYFARVXCNSQANF-AVGNSLFASA-N 2 1 244.379 1.097 20 0 BDADMP COCCOCC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315960425 384719591 /nfs/dbraw/zinc/71/95/91/384719591.db2.gz WYFARVXCNSQANF-AVGNSLFASA-N 2 1 244.379 1.097 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccncc2)C1 ZINC000173891964 384730992 /nfs/dbraw/zinc/73/09/92/384730992.db2.gz JCKBDXFKGDVBCU-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000173891964 384730998 /nfs/dbraw/zinc/73/09/98/384730998.db2.gz JCKBDXFKGDVBCU-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000173891964 384731005 /nfs/dbraw/zinc/73/10/05/384731005.db2.gz JCKBDXFKGDVBCU-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000647546232 384731541 /nfs/dbraw/zinc/73/15/41/384731541.db2.gz GEWQWGFMUPTGCZ-REWJHTLYSA-N 3 1 237.391 1.106 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)C1 ZINC000647548679 384740553 /nfs/dbraw/zinc/74/05/53/384740553.db2.gz OONKHJBEBNUUBW-RYMFRWLXSA-N 2 1 238.375 1.532 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647550202 384745952 /nfs/dbraw/zinc/74/59/52/384745952.db2.gz FMCYYLXIQNKVGC-STQMWFEESA-N 2 1 242.407 1.763 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)nc1 ZINC000334856740 384746196 /nfs/dbraw/zinc/74/61/96/384746196.db2.gz KDNMLYYEYRXEPM-YPMHNXCESA-N 2 1 219.332 1.478 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CNC[C@H](C)C1)[C@H]1CCCO1 ZINC000647549657 384746526 /nfs/dbraw/zinc/74/65/26/384746526.db2.gz LJPGNMNNFRLGHP-MROQNXINSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)[C@H]1CCCO1 ZINC000647549657 384746536 /nfs/dbraw/zinc/74/65/36/384746536.db2.gz LJPGNMNNFRLGHP-MROQNXINSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]C1 ZINC000647548218 384750112 /nfs/dbraw/zinc/75/01/12/384750112.db2.gz ZONFGWLCVXAUNP-CHWSQXEVSA-N 3 1 237.391 1.250 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547988 384750269 /nfs/dbraw/zinc/75/02/69/384750269.db2.gz QJUBRCGVHQUSTI-AAVRWANBSA-N 3 1 239.407 1.339 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000647551700 384755224 /nfs/dbraw/zinc/75/52/24/384755224.db2.gz DCWBSMDOSNWDRU-QWQWKMKNSA-N 2 1 208.349 1.763 20 0 BDADMP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccccn1 ZINC000289577377 384756531 /nfs/dbraw/zinc/75/65/31/384756531.db2.gz QYODYHTUBKFYCQ-WCQYABFASA-N 2 1 249.358 1.187 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000647552121 384758314 /nfs/dbraw/zinc/75/83/14/384758314.db2.gz GRFMCPRHQLEITN-ZIHBUVQPSA-N 3 1 239.407 1.447 20 0 BDADMP COC[C@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000083399886 384770155 /nfs/dbraw/zinc/77/01/55/384770155.db2.gz UENNKURLWWFSJQ-LBPRGKRZSA-N 2 1 225.336 1.452 20 0 BDADMP CC[N@@H+](C)CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000054133204 384820719 /nfs/dbraw/zinc/82/07/19/384820719.db2.gz XEIUFJSTRUHBKB-ZDUSSCGKSA-N 2 1 249.358 1.144 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)O1 ZINC000398160476 384824230 /nfs/dbraw/zinc/82/42/30/384824230.db2.gz VVIVFYSOCAKMKF-ODXJTPSBSA-N 2 1 240.391 1.872 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000403654657 384835996 /nfs/dbraw/zinc/83/59/96/384835996.db2.gz RVEMTLOCIQNYEK-HKUMRIAESA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000403654657 384836002 /nfs/dbraw/zinc/83/60/02/384836002.db2.gz RVEMTLOCIQNYEK-HKUMRIAESA-N 2 1 238.375 1.220 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330097 384794533 /nfs/dbraw/zinc/79/45/33/384794533.db2.gz QMNHRBYAQXCAFP-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330097 384794543 /nfs/dbraw/zinc/79/45/43/384794543.db2.gz QMNHRBYAQXCAFP-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423434034 384872355 /nfs/dbraw/zinc/87/23/55/384872355.db2.gz NRDJYNOJDRHCFV-RQJABVFESA-N 2 1 232.302 1.620 20 0 BDADMP Cn1cccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000084224727 384850375 /nfs/dbraw/zinc/85/03/75/384850375.db2.gz TXUAHEFYSBBBGE-QWHCGFSZSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000084224727 384850395 /nfs/dbraw/zinc/85/03/95/384850395.db2.gz TXUAHEFYSBBBGE-QWHCGFSZSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000084224727 384850398 /nfs/dbraw/zinc/85/03/98/384850398.db2.gz TXUAHEFYSBBBGE-QWHCGFSZSA-N 2 1 233.359 1.742 20 0 BDADMP CC(C)n1cncc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000310142319 384855047 /nfs/dbraw/zinc/85/50/47/384855047.db2.gz NESKVRQCIDLYFD-GFCCVEGCSA-N 2 1 238.379 1.751 20 0 BDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC1 ZINC000644550643 384951781 /nfs/dbraw/zinc/95/17/81/384951781.db2.gz ZKYUQQBWCFVZMV-OAHLLOKOSA-N 2 1 248.370 1.621 20 0 BDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC1 ZINC000644550643 384951784 /nfs/dbraw/zinc/95/17/84/384951784.db2.gz ZKYUQQBWCFVZMV-OAHLLOKOSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2nccs2)CC[N@H+]1C ZINC000127840063 384953870 /nfs/dbraw/zinc/95/38/70/384953870.db2.gz IPLFDPLRWVTZTH-GHMZBOCLSA-N 2 1 239.388 1.758 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1ccn(C)c1 ZINC000085589934 384957677 /nfs/dbraw/zinc/95/76/77/384957677.db2.gz PWXBYOUPQSZPLA-UHFFFAOYSA-N 2 1 223.364 1.847 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000306016298 384918945 /nfs/dbraw/zinc/91/89/45/384918945.db2.gz RYPDKCRVIWFVOZ-MGPQQGTHSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000257771798 384928965 /nfs/dbraw/zinc/92/89/65/384928965.db2.gz NUDXLNCMMHYRMG-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000234894198 384936684 /nfs/dbraw/zinc/93/66/84/384936684.db2.gz RRIPKSXMBPKJLA-JQWIXIFHSA-N 2 1 249.358 1.486 20 0 BDADMP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576632 384984778 /nfs/dbraw/zinc/98/47/78/384984778.db2.gz VEMAWGUTPASWMD-STQMWFEESA-N 2 1 232.327 1.346 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000310095649 385007667 /nfs/dbraw/zinc/00/76/67/385007667.db2.gz UZRAPCWLPKPVFC-ZDUSSCGKSA-N 2 1 235.331 1.261 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000310095649 385007671 /nfs/dbraw/zinc/00/76/71/385007671.db2.gz UZRAPCWLPKPVFC-ZDUSSCGKSA-N 2 1 235.331 1.261 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403999 385012804 /nfs/dbraw/zinc/01/28/04/385012804.db2.gz LJEVZWOJDREIBG-GVXVVHGQSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC000404488413 385020705 /nfs/dbraw/zinc/02/07/05/385020705.db2.gz FFZFMBSSJAPNEM-IUCAKERBSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000404488413 385020708 /nfs/dbraw/zinc/02/07/08/385020708.db2.gz FFZFMBSSJAPNEM-IUCAKERBSA-N 2 1 211.334 1.312 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[NH+](C)C1 ZINC000259128600 384963585 /nfs/dbraw/zinc/96/35/85/384963585.db2.gz WMUPMUNUZQPUTQ-UONOGXRCSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000259128600 384963591 /nfs/dbraw/zinc/96/35/91/384963591.db2.gz WMUPMUNUZQPUTQ-UONOGXRCSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000259128600 384963602 /nfs/dbraw/zinc/96/36/02/384963602.db2.gz WMUPMUNUZQPUTQ-UONOGXRCSA-N 3 1 239.407 1.260 20 0 BDADMP CN1CCC[C@@H](C[N@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000259128600 384963609 /nfs/dbraw/zinc/96/36/09/384963609.db2.gz WMUPMUNUZQPUTQ-UONOGXRCSA-N 2 1 239.407 1.260 20 0 BDADMP CN1CCC[C@@H](C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000259128600 384963615 /nfs/dbraw/zinc/96/36/15/384963615.db2.gz WMUPMUNUZQPUTQ-UONOGXRCSA-N 2 1 239.407 1.260 20 0 BDADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000340458044 385062764 /nfs/dbraw/zinc/06/27/64/385062764.db2.gz FRTKVSBCXGONLH-AXFHLTTASA-N 2 1 202.317 1.807 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CC[N@H+](C)C1CCCC1 ZINC000310453103 385065534 /nfs/dbraw/zinc/06/55/34/385065534.db2.gz YNDFZQXMPQAFAD-ZDUSSCGKSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000310453103 385065538 /nfs/dbraw/zinc/06/55/38/385065538.db2.gz YNDFZQXMPQAFAD-ZDUSSCGKSA-N 3 1 241.423 1.968 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404806785 385076969 /nfs/dbraw/zinc/07/69/69/385076969.db2.gz ZGMGBZZBEKUMDN-WDEREUQCSA-N 2 1 223.320 1.507 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404512821 385024728 /nfs/dbraw/zinc/02/47/28/385024728.db2.gz RZCQSWMGMFHTAH-ZJUUUORDSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404512821 385024735 /nfs/dbraw/zinc/02/47/35/385024735.db2.gz RZCQSWMGMFHTAH-ZJUUUORDSA-N 2 1 225.361 1.560 20 0 BDADMP COCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310583468 385117565 /nfs/dbraw/zinc/11/75/65/385117565.db2.gz SNWCRAHJVXXHLX-JHJVBQTASA-N 2 1 244.379 1.110 20 0 BDADMP COCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310583468 385117567 /nfs/dbraw/zinc/11/75/67/385117567.db2.gz SNWCRAHJVXXHLX-JHJVBQTASA-N 2 1 244.379 1.110 20 0 BDADMP COCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157240272 385121053 /nfs/dbraw/zinc/12/10/53/385121053.db2.gz PZYVIAVFXAQHBP-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305161629 385199552 /nfs/dbraw/zinc/19/95/52/385199552.db2.gz XFGFYVWIPYTKKR-IACUBPJLSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000157344191 385153713 /nfs/dbraw/zinc/15/37/13/385153713.db2.gz MKIOIJSBWTZFQU-DTWKUNHWSA-N 2 1 238.335 1.494 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000157344191 385153721 /nfs/dbraw/zinc/15/37/21/385153721.db2.gz MKIOIJSBWTZFQU-DTWKUNHWSA-N 2 1 238.335 1.494 20 0 BDADMP OC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000342810206 385168111 /nfs/dbraw/zinc/16/81/11/385168111.db2.gz PGYOZXJGQZOJOC-OLZOCXBDSA-N 2 1 238.375 1.508 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2cccnc2)CC[N@H+]1C ZINC000130003105 385210355 /nfs/dbraw/zinc/21/03/55/385210355.db2.gz WYNUODVGAAGAPC-TZMCWYRMSA-N 2 1 233.359 1.696 20 0 BDADMP CCOC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000044723671 385219634 /nfs/dbraw/zinc/21/96/34/385219634.db2.gz TWKPFLJYZOVALT-SNVBAGLBSA-N 2 1 211.309 1.206 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715662 385223847 /nfs/dbraw/zinc/22/38/47/385223847.db2.gz WIKYGJONFZTGHZ-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP CCC[N@@H+](Cc1ccc(N)nc1)C1CC[NH2+]CC1 ZINC000647484539 385232432 /nfs/dbraw/zinc/23/24/32/385232432.db2.gz ZNJCPUUYZVWPQT-UHFFFAOYSA-N 2 1 248.374 1.458 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1CO ZINC000191481082 385305797 /nfs/dbraw/zinc/30/57/97/385305797.db2.gz QDDCOIBNEAWMOR-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167424782 385314777 /nfs/dbraw/zinc/31/47/77/385314777.db2.gz XWMGECKOFHNHEE-OLZOCXBDSA-N 2 1 228.380 1.633 20 0 BDADMP Cc1ccncc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000280364634 385299970 /nfs/dbraw/zinc/29/99/70/385299970.db2.gz SHICONIDAAEVGA-UHFFFAOYSA-N 2 1 231.343 1.742 20 0 BDADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158055724 385332819 /nfs/dbraw/zinc/33/28/19/385332819.db2.gz VMIRXLGNDBKONX-ZIAGYGMSSA-N 2 1 248.374 1.408 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158055724 385332826 /nfs/dbraw/zinc/33/28/26/385332826.db2.gz VMIRXLGNDBKONX-ZIAGYGMSSA-N 3 1 248.374 1.408 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158055724 385332834 /nfs/dbraw/zinc/33/28/34/385332834.db2.gz VMIRXLGNDBKONX-ZIAGYGMSSA-N 3 1 248.374 1.408 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308999901 385332914 /nfs/dbraw/zinc/33/29/14/385332914.db2.gz RGADXXFYXDOZBO-MNOVXSKESA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cnc3ccccn23)CC[C@@H]1[NH3+] ZINC000647496482 385390197 /nfs/dbraw/zinc/39/01/97/385390197.db2.gz HPRAEYGFYOOVRJ-YPMHNXCESA-N 2 1 244.342 1.503 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)CC[C@@H]1[NH3+] ZINC000647496482 385390200 /nfs/dbraw/zinc/39/02/00/385390200.db2.gz HPRAEYGFYOOVRJ-YPMHNXCESA-N 2 1 244.342 1.503 20 0 BDADMP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000180192417 385386026 /nfs/dbraw/zinc/38/60/26/385386026.db2.gz DRMIWBRHKDNQHF-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309067513 385392289 /nfs/dbraw/zinc/39/22/89/385392289.db2.gz AHCOCIQYCUWGFR-QJPTWQEYSA-N 2 1 214.353 1.341 20 0 BDADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181438524 385407645 /nfs/dbraw/zinc/40/76/45/385407645.db2.gz WMPNLWIBTNYFOG-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000178702823 385412629 /nfs/dbraw/zinc/41/26/29/385412629.db2.gz NERKBKURFCOPLY-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647498956 385422663 /nfs/dbraw/zinc/42/26/63/385422663.db2.gz UXDGBYKHROMTRH-NEPJUHHUSA-N 2 1 234.347 1.053 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@@H]1[NH3+] ZINC000647498956 385422668 /nfs/dbraw/zinc/42/26/68/385422668.db2.gz UXDGBYKHROMTRH-NEPJUHHUSA-N 2 1 234.347 1.053 20 0 BDADMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000405295330 385456072 /nfs/dbraw/zinc/45/60/72/385456072.db2.gz OAEMHTXOSXFAKE-QWRGUYRKSA-N 2 1 235.331 1.306 20 0 BDADMP CO[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182213300 385434629 /nfs/dbraw/zinc/43/46/29/385434629.db2.gz DIMRCJPPWALXQW-QJPTWQEYSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182213300 385434630 /nfs/dbraw/zinc/43/46/30/385434630.db2.gz DIMRCJPPWALXQW-QJPTWQEYSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182213300 385434633 /nfs/dbraw/zinc/43/46/33/385434633.db2.gz DIMRCJPPWALXQW-QJPTWQEYSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182213300 385434635 /nfs/dbraw/zinc/43/46/35/385434635.db2.gz DIMRCJPPWALXQW-QJPTWQEYSA-N 2 1 214.353 1.436 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC(F)(F)CC1 ZINC000258080780 385533671 /nfs/dbraw/zinc/53/36/71/385533671.db2.gz MGKHPFHQHIDDQK-UHFFFAOYSA-N 2 1 206.280 1.717 20 0 BDADMP CCC(O)(CC)CC[NH2+]C1CC[NH+](C)CC1 ZINC000336678197 385616467 /nfs/dbraw/zinc/61/64/67/385616467.db2.gz CHCSAMKRJDYHQU-UHFFFAOYSA-N 2 1 228.380 1.611 20 0 BDADMP CC(C)[N@@H+](C)CCCNCc1cc[nH]n1 ZINC000066971141 385624874 /nfs/dbraw/zinc/62/48/74/385624874.db2.gz MUAMZOWWIUHBDD-UHFFFAOYSA-N 2 1 210.325 1.230 20 0 BDADMP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[NH2+]2)cn1 ZINC000414851042 385647343 /nfs/dbraw/zinc/64/73/43/385647343.db2.gz SVOCEFCNTWMANS-AWEZNQCLSA-N 2 1 233.359 1.664 20 0 BDADMP CCN1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000414851303 385650079 /nfs/dbraw/zinc/65/00/79/385650079.db2.gz IYTAPQWFCWUDHR-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000414851303 385650086 /nfs/dbraw/zinc/65/00/86/385650086.db2.gz IYTAPQWFCWUDHR-STQMWFEESA-N 3 1 239.407 1.448 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336685410 385690716 /nfs/dbraw/zinc/69/07/16/385690716.db2.gz UDIFBPHYQAVZLN-AVGNSLFASA-N 2 1 228.380 1.181 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc2ccc(C)cn12 ZINC000414858417 385734225 /nfs/dbraw/zinc/73/42/25/385734225.db2.gz JBLDQBBZYNZNPK-UHFFFAOYSA-N 2 1 232.331 1.342 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC000270878990 385755789 /nfs/dbraw/zinc/75/57/89/385755789.db2.gz NGBXQKPFIMEXKU-UHFFFAOYSA-N 2 1 207.321 1.923 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC000270878990 385755794 /nfs/dbraw/zinc/75/57/94/385755794.db2.gz NGBXQKPFIMEXKU-UHFFFAOYSA-N 2 1 207.321 1.923 20 0 BDADMP CO[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000336711249 385799442 /nfs/dbraw/zinc/79/94/42/385799442.db2.gz PQPMZUYIONZPMC-OLZOCXBDSA-N 2 1 237.347 1.739 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000394867179 385805728 /nfs/dbraw/zinc/80/57/28/385805728.db2.gz DCSRVYIDGBWYKE-ZJUUUORDSA-N 2 1 220.307 1.962 20 0 BDADMP C[NH+]1CCC(NCc2cccc3nccn32)CC1 ZINC000271301236 385815032 /nfs/dbraw/zinc/81/50/32/385815032.db2.gz UPTVFHSWPYHCBS-UHFFFAOYSA-N 3 1 244.342 1.518 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+]CCCc1ccc(C)nc1 ZINC000414949701 385815378 /nfs/dbraw/zinc/81/53/78/385815378.db2.gz FJNAANFEYGLEKD-CYBMUJFWSA-N 2 1 235.375 1.910 20 0 BDADMP COc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951851 385821980 /nfs/dbraw/zinc/82/19/80/385821980.db2.gz QEYBWTOSAYSFAB-DGCLKSJQSA-N 2 1 234.343 1.925 20 0 BDADMP C[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000261641726 385827937 /nfs/dbraw/zinc/82/79/37/385827937.db2.gz DIJKUQQPWKAZPY-YPMHNXCESA-N 2 1 249.358 1.013 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000647802616 385836521 /nfs/dbraw/zinc/83/65/21/385836521.db2.gz PVVNTJLEXPJOPL-QWHCGFSZSA-N 3 1 219.332 1.115 20 0 BDADMP C[N@@H+](Cc1cccc2nccn21)CC(C)(C)CO ZINC000294784177 385895874 /nfs/dbraw/zinc/89/58/74/385895874.db2.gz LLUOVLJHQWVDQS-UHFFFAOYSA-N 2 1 247.342 1.785 20 0 BDADMP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)CCC[NH3+] ZINC000647848390 385898434 /nfs/dbraw/zinc/89/84/34/385898434.db2.gz PDXUBSTVYAYIAI-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000151667180 134475111 /nfs/dbraw/zinc/47/51/11/134475111.db2.gz OGRLEHAZHAIGFI-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000414877009 385917781 /nfs/dbraw/zinc/91/77/81/385917781.db2.gz MHYYKXITZFEZSY-LLVKDONJSA-N 2 1 244.342 1.761 20 0 BDADMP Cc1cn[nH]c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336767652 385925049 /nfs/dbraw/zinc/92/50/49/385925049.db2.gz PZYVFKWXBWVFDF-UHFFFAOYSA-N 2 1 220.320 1.070 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336767652 385925067 /nfs/dbraw/zinc/92/50/67/385925067.db2.gz PZYVFKWXBWVFDF-UHFFFAOYSA-N 2 1 220.320 1.070 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336767652 385925075 /nfs/dbraw/zinc/92/50/75/385925075.db2.gz PZYVFKWXBWVFDF-UHFFFAOYSA-N 2 1 220.320 1.070 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414878006 385927403 /nfs/dbraw/zinc/92/74/03/385927403.db2.gz YVEHNUSSLFLYGA-UPJWGTAASA-N 2 1 238.375 1.533 20 0 BDADMP Cc1noc([C@H](C)[NH+]2CCC(C[NH3+])CC2)n1 ZINC000647811480 385863761 /nfs/dbraw/zinc/86/37/61/385863761.db2.gz WFJKAEGHCQBBNW-QMMMGPOBSA-N 2 1 224.308 1.110 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CCO[C@H]1C ZINC000308797922 385865757 /nfs/dbraw/zinc/86/57/57/385865757.db2.gz CYSKOAKLPLHOCD-QJPTWQEYSA-N 2 1 214.353 1.374 20 0 BDADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C(C)C ZINC000338009374 385879783 /nfs/dbraw/zinc/87/97/83/385879783.db2.gz CJUNGTYWHHGPIV-CYBMUJFWSA-N 2 1 239.363 1.842 20 0 BDADMP CCN1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414961977 385882702 /nfs/dbraw/zinc/88/27/02/385882702.db2.gz JBYHKKSMYKUTKC-ZDUSSCGKSA-N 2 1 239.407 1.593 20 0 BDADMP COC(=O)c1cc(C[NH2+]C[C@H](C)C[NH3+])oc1C ZINC000414881048 385988626 /nfs/dbraw/zinc/98/86/26/385988626.db2.gz RVYLCDDYIOYHKT-MRVPVSSYSA-N 2 1 240.303 1.059 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878094 385931341 /nfs/dbraw/zinc/93/13/41/385931341.db2.gz NICLQVRXMNIFCH-TZMCWYRMSA-N 2 1 249.358 1.328 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414967957 385935640 /nfs/dbraw/zinc/93/56/40/385935640.db2.gz CDAOINICKFORQU-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H]1C[C@H]1C ZINC000414062198 385936942 /nfs/dbraw/zinc/93/69/42/385936942.db2.gz CJCXEPAJUUIDQH-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311017625 385939330 /nfs/dbraw/zinc/93/93/30/385939330.db2.gz QJYQGTMNZGFLLP-JSGCOSHPSA-N 2 1 248.374 1.023 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C(=O)NC)C(C)C ZINC000338287756 385943311 /nfs/dbraw/zinc/94/33/11/385943311.db2.gz VSQVYAUDJKVOHP-LBPRGKRZSA-N 2 1 243.395 1.079 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000338284551 385948921 /nfs/dbraw/zinc/94/89/21/385948921.db2.gz QYLHTCMTYPCQLH-KGLIPLIRSA-N 2 1 241.423 1.743 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012181 385968210 /nfs/dbraw/zinc/96/82/10/385968210.db2.gz WYJPZTDUSNHNNM-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000335012181 385968216 /nfs/dbraw/zinc/96/82/16/385968216.db2.gz WYJPZTDUSNHNNM-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+]1C ZINC000309101265 385968569 /nfs/dbraw/zinc/96/85/69/385968569.db2.gz FUMMIQCOSYOBTR-KVSVUVNWSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@H+]1C ZINC000309101265 385968573 /nfs/dbraw/zinc/96/85/73/385968573.db2.gz FUMMIQCOSYOBTR-KVSVUVNWSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189300960 385973320 /nfs/dbraw/zinc/97/33/20/385973320.db2.gz NPSLIAGNODBOFK-POQQGIQPSA-N 2 1 240.391 1.466 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H]1CCOC[C@H]1C)C(C)C ZINC000336770034 385998428 /nfs/dbraw/zinc/99/84/28/385998428.db2.gz SSFCAUVHQDKQLC-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H]1CCOC[C@H]1C)C(C)C ZINC000336770034 385998430 /nfs/dbraw/zinc/99/84/30/385998430.db2.gz SSFCAUVHQDKQLC-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CCCC(CCC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414974348 386009118 /nfs/dbraw/zinc/00/91/18/386009118.db2.gz JWZXRHVZTDMRSG-CYBMUJFWSA-N 2 1 227.396 1.448 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976197 386013950 /nfs/dbraw/zinc/01/39/50/386013950.db2.gz NPXHEVPGTVNVLR-MELADBBJSA-N 2 1 239.407 1.304 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976523 386022303 /nfs/dbraw/zinc/02/23/03/386022303.db2.gz OGKJPFCFXLNDRQ-CHWSQXEVSA-N 2 1 227.396 1.304 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414976420 386023891 /nfs/dbraw/zinc/02/38/91/386023891.db2.gz PYEMMNMRZUXZJO-GFCCVEGCSA-N 2 1 236.363 1.381 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000414188410 386027250 /nfs/dbraw/zinc/02/72/50/386027250.db2.gz QFLTYORVAOBDQN-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414196645 386035302 /nfs/dbraw/zinc/03/53/02/386035302.db2.gz BCNHORNTYRARDW-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414196645 386035306 /nfs/dbraw/zinc/03/53/06/386035306.db2.gz BCNHORNTYRARDW-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000425422303 386039446 /nfs/dbraw/zinc/03/94/46/386039446.db2.gz MTHMLXGWGSALBY-KWCYVHTRSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000425422303 386039452 /nfs/dbraw/zinc/03/94/52/386039452.db2.gz MTHMLXGWGSALBY-KWCYVHTRSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000425422303 386039456 /nfs/dbraw/zinc/03/94/56/386039456.db2.gz MTHMLXGWGSALBY-KWCYVHTRSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000425422303 386039459 /nfs/dbraw/zinc/03/94/59/386039459.db2.gz MTHMLXGWGSALBY-KWCYVHTRSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000425424218 386044757 /nfs/dbraw/zinc/04/47/57/386044757.db2.gz WADZOEZLBPWHNN-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000425424218 386044764 /nfs/dbraw/zinc/04/47/64/386044764.db2.gz WADZOEZLBPWHNN-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000425424218 386044768 /nfs/dbraw/zinc/04/47/68/386044768.db2.gz WADZOEZLBPWHNN-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(F)c(C)c1 ZINC000414979800 386046335 /nfs/dbraw/zinc/04/63/35/386046335.db2.gz OOGSYHITDDJEEO-NSHDSACASA-N 2 1 210.296 1.961 20 0 BDADMP C[C@H](CN1CCCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129106319 386050945 /nfs/dbraw/zinc/05/09/45/386050945.db2.gz ZYRFIKIQNONVFH-KGLIPLIRSA-N 2 1 239.407 1.593 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1(CN)CCC1 ZINC000647985486 386110655 /nfs/dbraw/zinc/11/06/55/386110655.db2.gz DXURUXXKQWEZNO-UHFFFAOYSA-N 2 1 239.407 1.579 20 0 BDADMP CN(CCCC1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000647985486 386110660 /nfs/dbraw/zinc/11/06/60/386110660.db2.gz DXURUXXKQWEZNO-UHFFFAOYSA-N 2 1 239.407 1.579 20 0 BDADMP COC1([C@H](C)[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000414312641 386114034 /nfs/dbraw/zinc/11/40/34/386114034.db2.gz JLMCXDOWOHKVCY-NSHDSACASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2F)CC[N@@H+]1C ZINC000340521477 386120848 /nfs/dbraw/zinc/12/08/48/386120848.db2.gz FSDPOVKUYFUQII-DDHJBXDOSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2F)CC[N@H+]1C ZINC000340521477 386120851 /nfs/dbraw/zinc/12/08/51/386120851.db2.gz FSDPOVKUYFUQII-DDHJBXDOSA-N 2 1 214.328 1.949 20 0 BDADMP Cc1ccccc1OCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647873510 386121222 /nfs/dbraw/zinc/12/12/22/386121222.db2.gz UIPVUWYSIAPHBK-AWEZNQCLSA-N 2 1 248.370 1.915 20 0 BDADMP C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cn[nH]c1 ZINC000340524381 386121528 /nfs/dbraw/zinc/12/15/28/386121528.db2.gz IYHAAAYDMPJFTH-OUJBWJOFSA-N 2 1 234.347 1.543 20 0 BDADMP C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cn[nH]c1 ZINC000340524381 386121533 /nfs/dbraw/zinc/12/15/33/386121533.db2.gz IYHAAAYDMPJFTH-OUJBWJOFSA-N 2 1 234.347 1.543 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000414209263 386062515 /nfs/dbraw/zinc/06/25/15/386062515.db2.gz SJFDNYQYLJWHRS-XDQVBPFNSA-N 2 1 242.407 1.977 20 0 BDADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414211687 386064684 /nfs/dbraw/zinc/06/46/84/386064684.db2.gz VUDTVYSRHVRNAU-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1NCC[N@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000647941195 386080491 /nfs/dbraw/zinc/08/04/91/386080491.db2.gz CKDDCMBCZUPEOB-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1NCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000647941195 386080497 /nfs/dbraw/zinc/08/04/97/386080497.db2.gz CKDDCMBCZUPEOB-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000365401953 386080682 /nfs/dbraw/zinc/08/06/82/386080682.db2.gz HHOANDJQKXQWGF-CYBMUJFWSA-N 3 1 236.363 1.299 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000414985112 386093301 /nfs/dbraw/zinc/09/33/01/386093301.db2.gz VSBFCMVAVYCMHE-LLVKDONJSA-N 2 1 248.330 1.805 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353504589 386159368 /nfs/dbraw/zinc/15/93/68/386159368.db2.gz SBONQPMAPHVPOE-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@H](C)C1 ZINC000188073610 386171213 /nfs/dbraw/zinc/17/12/13/386171213.db2.gz CJLGCCPOVOYNCQ-OLZOCXBDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)CC[N@@H+]1C ZINC000310313688 386172133 /nfs/dbraw/zinc/17/21/33/386172133.db2.gz RKTZPJCLOVJKBQ-ZOBORPQBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)CC[N@H+]1C ZINC000310313688 386172139 /nfs/dbraw/zinc/17/21/39/386172139.db2.gz RKTZPJCLOVJKBQ-ZOBORPQBSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+](CCC(=O)OC)C[C@@H]([NH3+])CC(C)C ZINC000414688561 386176262 /nfs/dbraw/zinc/17/62/62/386176262.db2.gz JGGZAPCIUDTBQB-NSHDSACASA-N 2 1 230.352 1.245 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@@H]([NH3+])CC(C)C ZINC000414688561 386176269 /nfs/dbraw/zinc/17/62/69/386176269.db2.gz JGGZAPCIUDTBQB-NSHDSACASA-N 2 1 230.352 1.245 20 0 BDADMP COC(=O)c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414894927 386180740 /nfs/dbraw/zinc/18/07/40/386180740.db2.gz LZQFITOZJPGTSA-ZDUSSCGKSA-N 2 1 248.326 1.300 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000414692225 386182376 /nfs/dbraw/zinc/18/23/76/386182376.db2.gz KLDMQOQYBSFLEH-GXTWGEPZSA-N 2 1 239.407 1.528 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nn1C ZINC000414668166 386125602 /nfs/dbraw/zinc/12/56/02/386125602.db2.gz ZLSFUJWWTMYOPN-IACUBPJLSA-N 2 1 248.374 1.288 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nn1C ZINC000414668166 386125604 /nfs/dbraw/zinc/12/56/04/386125604.db2.gz ZLSFUJWWTMYOPN-IACUBPJLSA-N 2 1 248.374 1.288 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000353581733 386188918 /nfs/dbraw/zinc/18/89/18/386188918.db2.gz NMUTWKAARANRJZ-ZDUSSCGKSA-N 2 1 243.395 1.350 20 0 BDADMP C[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@H](C)[N@@H+]1C ZINC000338783931 386139611 /nfs/dbraw/zinc/13/96/11/386139611.db2.gz IKXWDPUEOMPHAJ-PHIMTYICSA-N 2 1 249.362 1.071 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@]1(C)CCCO1 ZINC000340530971 386142731 /nfs/dbraw/zinc/14/27/31/386142731.db2.gz INNJTWRUIOLIJQ-GXTWGEPZSA-N 2 1 238.375 1.796 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC000414700963 386200889 /nfs/dbraw/zinc/20/08/89/386200889.db2.gz KJOHRLCGKPNLHE-YRGRVCCFSA-N 2 1 238.375 1.485 20 0 BDADMP c1cc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647881020 386207021 /nfs/dbraw/zinc/20/70/21/386207021.db2.gz UXXVAETZLNXXFI-NWDGAFQWSA-N 2 1 234.347 1.199 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000647880994 386207381 /nfs/dbraw/zinc/20/73/81/386207381.db2.gz OGQBGRCPYVVAMC-NSHDSACASA-N 2 1 222.336 1.199 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000347061889 386208415 /nfs/dbraw/zinc/20/84/15/386208415.db2.gz ZFGGGGBZBJOUHM-LBPRGKRZSA-N 2 1 245.370 1.696 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCO2)c2ccccc21 ZINC000132031275 386220218 /nfs/dbraw/zinc/22/02/18/386220218.db2.gz FQKXVKUISQPFQW-LERXQTSPSA-N 2 1 248.326 1.136 20 0 BDADMP C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000366244740 386225213 /nfs/dbraw/zinc/22/52/13/386225213.db2.gz GJOVJWVMRZATFZ-NEPJUHHUSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000366244740 386225216 /nfs/dbraw/zinc/22/52/16/386225216.db2.gz GJOVJWVMRZATFZ-NEPJUHHUSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347038901 386227019 /nfs/dbraw/zinc/22/70/19/386227019.db2.gz IYWPGSUJJUDAEK-JSGCOSHPSA-N 2 1 240.391 1.720 20 0 BDADMP COC(=O)[C@@H](C)C[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414710186 386227392 /nfs/dbraw/zinc/22/73/92/386227392.db2.gz RYXKPFHPXQTDRW-WDEREUQCSA-N 2 1 230.352 1.101 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414710186 386227397 /nfs/dbraw/zinc/22/73/97/386227397.db2.gz RYXKPFHPXQTDRW-WDEREUQCSA-N 2 1 230.352 1.101 20 0 BDADMP COC(=O)[C@H](C)C[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414710177 386227914 /nfs/dbraw/zinc/22/79/14/386227914.db2.gz RYXKPFHPXQTDRW-GHMZBOCLSA-N 2 1 230.352 1.101 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414710177 386227919 /nfs/dbraw/zinc/22/79/19/386227919.db2.gz RYXKPFHPXQTDRW-GHMZBOCLSA-N 2 1 230.352 1.101 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000347115825 386231513 /nfs/dbraw/zinc/23/15/13/386231513.db2.gz VOAQMEYXCDVIPK-LLVKDONJSA-N 2 1 244.342 1.604 20 0 BDADMP COC(=O)[C@@]1(C)CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414714090 386237958 /nfs/dbraw/zinc/23/79/58/386237958.db2.gz WZBYINXMVXJPGA-YPMHNXCESA-N 2 1 242.363 1.245 20 0 BDADMP COC(=O)[C@@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414714090 386237963 /nfs/dbraw/zinc/23/79/63/386237963.db2.gz WZBYINXMVXJPGA-YPMHNXCESA-N 2 1 242.363 1.245 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414899050 386238863 /nfs/dbraw/zinc/23/88/63/386238863.db2.gz GRYYASALSUYRSC-GFCCVEGCSA-N 2 1 222.336 1.197 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000125289435 386239861 /nfs/dbraw/zinc/23/98/61/386239861.db2.gz GVAXNYAVRNFRIV-RYUDHWBXSA-N 2 1 214.353 1.484 20 0 BDADMP COc1ccccc1/C=C\C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347094417 386247910 /nfs/dbraw/zinc/24/79/10/386247910.db2.gz HHYYMVHFVUWPEK-AGLBCWCQSA-N 2 1 246.354 1.989 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414719361 386253003 /nfs/dbraw/zinc/25/30/03/386253003.db2.gz XZMUIILOPTULSV-RVMXOQNASA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414719361 386253006 /nfs/dbraw/zinc/25/30/06/386253006.db2.gz XZMUIILOPTULSV-RVMXOQNASA-N 2 1 225.380 1.057 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](CCCCO)C1CC1 ZINC000414694317 386191488 /nfs/dbraw/zinc/19/14/88/386191488.db2.gz NDUGAQLLHYTALQ-LBPRGKRZSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](CCCCO)C1CC1 ZINC000414694317 386191493 /nfs/dbraw/zinc/19/14/93/386191493.db2.gz NDUGAQLLHYTALQ-LBPRGKRZSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@H](CO)[N@@H+](C)Cc1cccc2nccn21 ZINC000289521767 386324453 /nfs/dbraw/zinc/32/44/53/386324453.db2.gz VLJCMBFOQNTQKV-SNVBAGLBSA-N 2 1 219.288 1.147 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@H]([NH3+])CC(C)C)C[C@H]1C ZINC000414733952 386298400 /nfs/dbraw/zinc/29/84/00/386298400.db2.gz FJQZGHOELFOTIR-HZSPNIEDSA-N 2 1 241.423 1.774 20 0 BDADMP CCCc1csc(C[NH2+][C@H](C)CC[NH3+])n1 ZINC000414901883 386303928 /nfs/dbraw/zinc/30/39/28/386303928.db2.gz XSXUMMZNODDGEO-SECBINFHSA-N 2 1 227.377 1.923 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](CCO)C1CCC1 ZINC000414741657 386324949 /nfs/dbraw/zinc/32/49/49/386324949.db2.gz FKRBPAXSAOKSDX-LLVKDONJSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CCO)C1CCC1 ZINC000414741657 386324957 /nfs/dbraw/zinc/32/49/57/386324957.db2.gz FKRBPAXSAOKSDX-LLVKDONJSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](O)[C@@H](C)C2)CC[NH2+]1 ZINC000414738451 386319656 /nfs/dbraw/zinc/31/96/56/386319656.db2.gz JJBZKTGXQMDYHH-LOWDOPEQSA-N 2 1 226.364 1.077 20 0 BDADMP CCC1(C[N@@H+](C)C2CC[NH2+]CC2)CCOCC1 ZINC000347152937 386263533 /nfs/dbraw/zinc/26/35/33/386263533.db2.gz BQSYNGDSKKJFEJ-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000647884435 386264604 /nfs/dbraw/zinc/26/46/04/386264604.db2.gz PQXVNODSLGJZMR-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336653353 386268541 /nfs/dbraw/zinc/26/85/41/386268541.db2.gz YESKFSHIFRBIGX-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H](O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336653353 386268544 /nfs/dbraw/zinc/26/85/44/386268544.db2.gz YESKFSHIFRBIGX-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H](O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336653353 386268547 /nfs/dbraw/zinc/26/85/47/386268547.db2.gz YESKFSHIFRBIGX-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336653355 386269602 /nfs/dbraw/zinc/26/96/02/386269602.db2.gz YESKFSHIFRBIGX-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336653355 386269606 /nfs/dbraw/zinc/26/96/06/386269606.db2.gz YESKFSHIFRBIGX-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336653355 386269612 /nfs/dbraw/zinc/26/96/12/386269612.db2.gz YESKFSHIFRBIGX-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000647885745 386278026 /nfs/dbraw/zinc/27/80/26/386278026.db2.gz LHKCCFVVDNMCKJ-UKRRQHHQSA-N 2 1 248.370 1.651 20 0 BDADMP Cc1ncc2c(n1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000648402284 386350735 /nfs/dbraw/zinc/35/07/35/386350735.db2.gz PMRHIUFXTXBSAB-UHFFFAOYSA-N 2 1 246.358 1.143 20 0 BDADMP Cc1cnn([C@@H]2CC[N@@H+](CCn3ccnc3)C2)c1 ZINC000289941190 386375072 /nfs/dbraw/zinc/37/50/72/386375072.db2.gz PRHJUBDLCCKVQR-CYBMUJFWSA-N 2 1 245.330 1.335 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CCCN(C)C ZINC000336678061 386329495 /nfs/dbraw/zinc/32/94/95/386329495.db2.gz DQRXAUXDGCDURV-LLVKDONJSA-N 2 1 201.358 1.045 20 0 BDADMP Cc1cn[nH]c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000289593714 386331723 /nfs/dbraw/zinc/33/17/23/386331723.db2.gz UHVWECVUEMSDMD-SNVBAGLBSA-N 2 1 247.346 1.649 20 0 BDADMP Cn1cccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277467251 386437321 /nfs/dbraw/zinc/43/73/21/386437321.db2.gz LUWXZGJEHTZZFB-ZDUSSCGKSA-N 2 1 235.375 1.941 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277467251 386437324 /nfs/dbraw/zinc/43/73/24/386437324.db2.gz LUWXZGJEHTZZFB-ZDUSSCGKSA-N 2 1 235.375 1.941 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000336754338 386440086 /nfs/dbraw/zinc/44/00/86/386440086.db2.gz FTHGAZVMTZZLOV-FRRDWIJNSA-N 2 1 228.380 1.587 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911137 386452703 /nfs/dbraw/zinc/45/27/03/386452703.db2.gz WHWOBVHZPGISBL-XQQFMLRXSA-N 3 1 225.380 1.249 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336704614 386392777 /nfs/dbraw/zinc/39/27/77/386392777.db2.gz NDTJDUPGPYEZBZ-ZDUSSCGKSA-N 2 1 240.391 1.687 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000647891608 386393148 /nfs/dbraw/zinc/39/31/48/386393148.db2.gz WYUWNEWKXQYPRZ-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000647891608 386393150 /nfs/dbraw/zinc/39/31/50/386393150.db2.gz WYUWNEWKXQYPRZ-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336704727 386393725 /nfs/dbraw/zinc/39/37/25/386393725.db2.gz NNYGKVNGOCOASV-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C[C@H]1CCCOC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336704727 386393729 /nfs/dbraw/zinc/39/37/29/386393729.db2.gz NNYGKVNGOCOASV-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C[C@H]1CCCOC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336704727 386393731 /nfs/dbraw/zinc/39/37/31/386393731.db2.gz NNYGKVNGOCOASV-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647891478 386393764 /nfs/dbraw/zinc/39/37/64/386393764.db2.gz IOUUNAKUFZMHJR-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336708695 386418298 /nfs/dbraw/zinc/41/82/98/386418298.db2.gz IUWFHKDTUODOPY-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336708695 386418299 /nfs/dbraw/zinc/41/82/99/386418299.db2.gz IUWFHKDTUODOPY-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336708695 386418300 /nfs/dbraw/zinc/41/83/00/386418300.db2.gz IUWFHKDTUODOPY-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP CCCNC(=O)C1([NH2+]C[C@@H](C)[NH3+])CCCCC1 ZINC000442664649 386419353 /nfs/dbraw/zinc/41/93/53/386419353.db2.gz KMPLHQKJLLAAII-LLVKDONJSA-N 2 1 241.379 1.152 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336708693 386419527 /nfs/dbraw/zinc/41/95/27/386419527.db2.gz IUWFHKDTUODOPY-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336708693 386419533 /nfs/dbraw/zinc/41/95/33/386419533.db2.gz IUWFHKDTUODOPY-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336708693 386419541 /nfs/dbraw/zinc/41/95/41/386419541.db2.gz IUWFHKDTUODOPY-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336708698 386419748 /nfs/dbraw/zinc/41/97/48/386419748.db2.gz IUWFHKDTUODOPY-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336708698 386419756 /nfs/dbraw/zinc/41/97/56/386419756.db2.gz IUWFHKDTUODOPY-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336708698 386419763 /nfs/dbraw/zinc/41/97/63/386419763.db2.gz IUWFHKDTUODOPY-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000399160961 386428121 /nfs/dbraw/zinc/42/81/21/386428121.db2.gz KTZIUJBFMMYFIE-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@]1(C)CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000399275588 386475905 /nfs/dbraw/zinc/47/59/05/386475905.db2.gz CWJJKXAHKAURTG-CYBMUJFWSA-N 2 1 225.380 1.014 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1[NH3+] ZINC000647934734 386477783 /nfs/dbraw/zinc/47/77/83/386477783.db2.gz OFUWKJUCWQLYBA-NEPJUHHUSA-N 2 1 234.347 1.053 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1[NH3+] ZINC000647934736 386479232 /nfs/dbraw/zinc/47/92/32/386479232.db2.gz OFUWKJUCWQLYBA-RYUDHWBXSA-N 2 1 234.347 1.053 20 0 BDADMP CC[C@@H]1C[N@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000647934905 386481401 /nfs/dbraw/zinc/48/14/01/386481401.db2.gz UONSJNHFFPTHTM-NXEZZACHSA-N 2 1 236.306 1.327 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOCC(F)F)CC[C@H]1[NH3+] ZINC000647934905 386481407 /nfs/dbraw/zinc/48/14/07/386481407.db2.gz UONSJNHFFPTHTM-NXEZZACHSA-N 2 1 236.306 1.327 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000335439962 386499698 /nfs/dbraw/zinc/49/96/98/386499698.db2.gz ASVDOPRVLZPWQJ-CYBMUJFWSA-N 2 1 248.374 1.341 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)CO ZINC000339634798 386502515 /nfs/dbraw/zinc/50/25/15/386502515.db2.gz GSSSLGQOLUIGIW-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)CO ZINC000339634798 386502521 /nfs/dbraw/zinc/50/25/21/386502521.db2.gz GSSSLGQOLUIGIW-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)CO ZINC000339634798 386502526 /nfs/dbraw/zinc/50/25/26/386502526.db2.gz GSSSLGQOLUIGIW-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415050201 386505342 /nfs/dbraw/zinc/50/53/42/386505342.db2.gz FMRQNJCLQPWZLR-ZOBORPQBSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)CN ZINC000415050201 386505347 /nfs/dbraw/zinc/50/53/47/386505347.db2.gz FMRQNJCLQPWZLR-ZOBORPQBSA-N 2 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)CN ZINC000415050201 386505349 /nfs/dbraw/zinc/50/53/49/386505349.db2.gz FMRQNJCLQPWZLR-ZOBORPQBSA-N 2 1 239.407 1.291 20 0 BDADMP [NH3+]CCC[C@H]([NH2+][C@@H]1CCCNC1)c1ccccc1 ZINC000415050607 386506609 /nfs/dbraw/zinc/50/66/09/386506609.db2.gz IVITYBSQMSHLIO-CABCVRRESA-N 2 1 247.386 1.808 20 0 BDADMP Cc1ccc(CCC[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000414783629 386507984 /nfs/dbraw/zinc/50/79/84/386507984.db2.gz ZPCMPNRGCAFPTC-UHFFFAOYSA-N 3 1 233.359 1.744 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415051645 386509710 /nfs/dbraw/zinc/50/97/10/386509710.db2.gz GYXJZUUSJQTPLQ-DGCLKSJQSA-N 2 1 228.380 1.576 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000135498987 386514151 /nfs/dbraw/zinc/51/41/51/386514151.db2.gz DAVPUYUDSIRUAU-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H](c3cccnc3)C2)CC[NH2+]C1 ZINC000335449127 386516450 /nfs/dbraw/zinc/51/64/50/386516450.db2.gz VOUCUBPNXYPZDE-CABCVRRESA-N 2 1 245.370 1.871 20 0 BDADMP c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415030417 386518403 /nfs/dbraw/zinc/51/84/03/386518403.db2.gz CJQFZVWVWRHOTD-ZDUSSCGKSA-N 2 1 220.316 1.155 20 0 BDADMP C(=C\c1ccccc1)\C[NH2+]C1[C@H]2C[NH2+]C[C@@H]12 ZINC000415030240 386520039 /nfs/dbraw/zinc/52/00/39/386520039.db2.gz DSLDSPMPIURYLC-OJWIVGRJSA-N 2 1 214.312 1.507 20 0 BDADMP Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415043019 386530275 /nfs/dbraw/zinc/53/02/75/386530275.db2.gz RCOQHDFFOSDMAW-CQSZACIVSA-N 2 1 234.343 1.463 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)s1 ZINC000415037468 386523765 /nfs/dbraw/zinc/52/37/65/386523765.db2.gz LGAVMVVGARZNDE-LLVKDONJSA-N 2 1 240.372 1.525 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000094918437 386462799 /nfs/dbraw/zinc/46/27/99/386462799.db2.gz YYEBZOCJHYUWSS-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP CSCC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365650125 386581797 /nfs/dbraw/zinc/58/17/97/386581797.db2.gz QNLKPAJLNWVXBC-LLVKDONJSA-N 2 1 239.388 1.963 20 0 BDADMP COC(=O)c1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414798144 386584658 /nfs/dbraw/zinc/58/46/58/386584658.db2.gz FCUMHIQQLPSSEP-UHFFFAOYSA-N 2 1 236.315 1.300 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414801076 386591420 /nfs/dbraw/zinc/59/14/20/386591420.db2.gz SZWOVAQPQJKWRI-GFCCVEGCSA-N 2 1 246.358 1.716 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCSC1 ZINC000414922754 386592704 /nfs/dbraw/zinc/59/27/04/386592704.db2.gz GLPNKFNKIBMSLE-UTLUCORTSA-N 2 1 200.351 1.080 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000415083286 386594439 /nfs/dbraw/zinc/59/44/39/386594439.db2.gz PQMJGMSTQHUKGS-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP CCN1CCCC[C@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415083286 386594444 /nfs/dbraw/zinc/59/44/44/386594444.db2.gz PQMJGMSTQHUKGS-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc2cnccn12 ZINC000414802383 386596566 /nfs/dbraw/zinc/59/65/66/386596566.db2.gz BIHLFSJGCVDNCH-UHFFFAOYSA-N 2 1 247.346 1.336 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1cccnc1)C1CCCC1 ZINC000415064722 386543340 /nfs/dbraw/zinc/54/33/40/386543340.db2.gz LHRQESADMGGTHP-ZDUSSCGKSA-N 2 1 219.332 1.689 20 0 BDADMP C[C@H](C[NH3+])[NH2+]CCSCc1ccccc1 ZINC000414922683 386597031 /nfs/dbraw/zinc/59/70/31/386597031.db2.gz DDPIPMIYDKSQPA-LLVKDONJSA-N 2 1 224.373 1.857 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H](C)C1 ZINC000417360153 386545071 /nfs/dbraw/zinc/54/50/71/386545071.db2.gz XDAAUNDTSVWJGL-NDBYEHHHSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1cccc(C[NH2+][C@H](CN)C2CC2)c1 ZINC000414802763 386597023 /nfs/dbraw/zinc/59/70/23/386597023.db2.gz NDFDOHATJVYZEE-CYBMUJFWSA-N 2 1 204.317 1.822 20 0 BDADMP Cc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414802763 386597030 /nfs/dbraw/zinc/59/70/30/386597030.db2.gz NDFDOHATJVYZEE-CYBMUJFWSA-N 2 1 204.317 1.822 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000063223655 386546907 /nfs/dbraw/zinc/54/69/07/386546907.db2.gz GUABTRQUMUCCHV-CYBMUJFWSA-N 2 1 219.332 1.295 20 0 BDADMP COc1ccccc1/C=C/C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415066490 386548774 /nfs/dbraw/zinc/54/87/74/386548774.db2.gz SXJUSZMXLURCCL-RYKCVBHDSA-N 2 1 244.338 1.516 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])CC1CCCCCC1 ZINC000415066449 386549371 /nfs/dbraw/zinc/54/93/71/386549371.db2.gz IQBHJFKERLWVQG-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975110 386550723 /nfs/dbraw/zinc/55/07/23/386550723.db2.gz LNMMAFMAXZAUEE-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC[NH2+]C2CC2)[C@H](C)C1 ZINC000415069197 386551654 /nfs/dbraw/zinc/55/16/54/386551654.db2.gz OHZICJQSATYZJC-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000415069197 386551660 /nfs/dbraw/zinc/55/16/60/386551660.db2.gz OHZICJQSATYZJC-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000415069197 386551667 /nfs/dbraw/zinc/55/16/67/386551667.db2.gz OHZICJQSATYZJC-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCCOC)CC[C@H]1[NH3+] ZINC000647936816 386557812 /nfs/dbraw/zinc/55/78/12/386557812.db2.gz LUBLWSUXTWUTMC-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP C[N@@H+](Cc1ccc(C(F)F)cc1)C[C@H](O)C[NH3+] ZINC000415073206 386559937 /nfs/dbraw/zinc/55/99/37/386559937.db2.gz YBROPQMGHRPUIC-LLVKDONJSA-N 2 1 244.285 1.376 20 0 BDADMP C[N@H+](Cc1ccc(C(F)F)cc1)C[C@H](O)C[NH3+] ZINC000415073206 386559941 /nfs/dbraw/zinc/55/99/41/386559941.db2.gz YBROPQMGHRPUIC-LLVKDONJSA-N 2 1 244.285 1.376 20 0 BDADMP CC[C@@H](COC)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415074434 386565793 /nfs/dbraw/zinc/56/57/93/386565793.db2.gz PLCBMSZZGHTXKP-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])CC[NH2+]1 ZINC000414794989 386570730 /nfs/dbraw/zinc/57/07/30/386570730.db2.gz UMRXENSFHNMGSD-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CCC[NH2+]C2)cc(C)c1O ZINC000415109600 386619680 /nfs/dbraw/zinc/61/96/80/386619680.db2.gz RMJVSDUHKHNCOS-CQSZACIVSA-N 2 1 248.370 1.893 20 0 BDADMP CCN(C)c1ccc(C[NH2+]CC(C)(C)[NH3+])cn1 ZINC000414809612 386620675 /nfs/dbraw/zinc/62/06/75/386620675.db2.gz VTVNGVGSHQRCRJ-UHFFFAOYSA-N 2 1 236.363 1.365 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414808869 386624632 /nfs/dbraw/zinc/62/46/32/386624632.db2.gz UOSIIJFGCJHZBF-UHFFFAOYSA-N 2 1 235.331 1.472 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)n[nH]c1C ZINC000414808871 386624718 /nfs/dbraw/zinc/62/47/18/386624718.db2.gz UPWMSGPHZXLIFD-UHFFFAOYSA-N 2 1 224.352 1.634 20 0 BDADMP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414818073 386656220 /nfs/dbraw/zinc/65/62/20/386656220.db2.gz CQKRBQGDUFQDMB-ZYHUDNBSSA-N 2 1 237.322 1.698 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1ccncc1 ZINC000414804682 386609287 /nfs/dbraw/zinc/60/92/87/386609287.db2.gz NWTAVBCXIGIILH-UHFFFAOYSA-N 2 1 207.321 1.689 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[C@H]2CS3)CC[NH2+]1 ZINC000415108995 386615797 /nfs/dbraw/zinc/61/57/97/386615797.db2.gz LLTUIYZNMKWGTI-RHYQMDGZSA-N 2 1 226.389 1.564 20 0 BDADMP CO[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000644922925 386616796 /nfs/dbraw/zinc/61/67/96/386616796.db2.gz NVYNCFAPAPGZKY-CQSZACIVSA-N 2 1 240.391 1.685 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cn1cccn1 ZINC000414807248 386617327 /nfs/dbraw/zinc/61/73/27/386617327.db2.gz CKDNNJVDXLCMQZ-NWDGAFQWSA-N 2 1 224.352 1.379 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H](C)CO ZINC000450741630 386660426 /nfs/dbraw/zinc/66/04/26/386660426.db2.gz ZYWYPBLCNFIBAS-VXGBXAGGSA-N 2 1 239.363 1.578 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CCO)CC2)c2ccccc21 ZINC000097817688 386665662 /nfs/dbraw/zinc/66/56/62/386665662.db2.gz IIYJZIFTUBWIKK-KGLIPLIRSA-N 2 1 246.354 1.883 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414818566 386656921 /nfs/dbraw/zinc/65/69/21/386656921.db2.gz FLQRDZUJVLWKKT-AVGNSLFASA-N 3 1 227.396 1.624 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@@H]1CCSC1 ZINC000414818413 386657993 /nfs/dbraw/zinc/65/79/93/386657993.db2.gz VQZVUKNOPFDEQR-QWRGUYRKSA-N 2 1 216.394 1.847 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)CCc1ccccc1 ZINC000414828974 386700675 /nfs/dbraw/zinc/70/06/75/386700675.db2.gz LSGLMDOQXJGMOO-GFCCVEGCSA-N 2 1 206.333 1.817 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000414829234 386701283 /nfs/dbraw/zinc/70/12/83/386701283.db2.gz MABZYXKREJLOLF-RYUDHWBXSA-N 2 1 214.353 1.391 20 0 BDADMP CC(C)C[C@H]([NH3+])c1noc([C@H]2CC[N@@H+](C)C2)n1 ZINC000520580631 386701664 /nfs/dbraw/zinc/70/16/64/386701664.db2.gz DETYIIVKKQJZDB-UWVGGRQHSA-N 2 1 238.335 1.535 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCNc2ccccn2)CC[N@H+]1C ZINC000268996051 386735274 /nfs/dbraw/zinc/73/52/74/386735274.db2.gz NRGJTDSLZHJIJB-CHWSQXEVSA-N 2 1 248.374 1.566 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000414834377 386722854 /nfs/dbraw/zinc/72/28/54/386722854.db2.gz TYGZPOWSJKKUIO-MRVWCRGKSA-N 2 1 218.344 1.988 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000414834375 386723422 /nfs/dbraw/zinc/72/34/22/386723422.db2.gz TYGZPOWSJKKUIO-KWCYVHTRSA-N 2 1 218.344 1.988 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CC(C)(C)[NH3+])CC[NH2+]CC2 ZINC000335544620 386730155 /nfs/dbraw/zinc/73/01/55/386730155.db2.gz ULRDTCGIGBOPBA-NSHDSACASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1CC2(C[N@@H+]1CC(C)(C)N)CC[NH2+]CC2 ZINC000335544620 386730160 /nfs/dbraw/zinc/73/01/60/386730160.db2.gz ULRDTCGIGBOPBA-NSHDSACASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CC(C)(C)N)CC[NH2+]CC2 ZINC000335544620 386730165 /nfs/dbraw/zinc/73/01/65/386730165.db2.gz ULRDTCGIGBOPBA-NSHDSACASA-N 2 1 225.380 1.188 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1(C)C ZINC000395218156 386753342 /nfs/dbraw/zinc/75/33/42/386753342.db2.gz RWFQBRYXJILWAS-FVCCEPFGSA-N 2 1 240.391 1.920 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000414844058 386769864 /nfs/dbraw/zinc/76/98/64/386769864.db2.gz QYAKZVQLSQRKEP-JTQLQIEISA-N 2 1 238.331 1.346 20 0 BDADMP CN(C)c1cc(NC(=O)C[NH2+]CC2CC2)cc[nH+]1 ZINC000269248618 386765951 /nfs/dbraw/zinc/76/59/51/386765951.db2.gz GANSBDXDVLDKNL-UHFFFAOYSA-N 2 1 248.330 1.086 20 0 BDADMP CN(C)c1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc[nH+]1 ZINC000269254246 386766142 /nfs/dbraw/zinc/76/61/42/386766142.db2.gz IXDAMGBEDYEAIH-ZJUUUORDSA-N 2 1 248.330 1.214 20 0 BDADMP Cc1nccn1CC[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000334634655 386766153 /nfs/dbraw/zinc/76/61/53/386766153.db2.gz NMXIBLNZJVNBKT-OLZOCXBDSA-N 2 1 249.358 1.548 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000336665655 386772788 /nfs/dbraw/zinc/77/27/88/386772788.db2.gz PQDWOJZWULQLPK-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336665655 386772797 /nfs/dbraw/zinc/77/27/97/386772797.db2.gz PQDWOJZWULQLPK-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336665655 386772807 /nfs/dbraw/zinc/77/28/07/386772807.db2.gz PQDWOJZWULQLPK-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336665655 386772812 /nfs/dbraw/zinc/77/28/12/386772812.db2.gz PQDWOJZWULQLPK-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336665655 386772819 /nfs/dbraw/zinc/77/28/19/386772819.db2.gz PQDWOJZWULQLPK-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP Cc1nocc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000293433489 386816764 /nfs/dbraw/zinc/81/67/64/386816764.db2.gz BJPKIRSSVYZICT-SNVBAGLBSA-N 2 1 248.330 1.914 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000414934347 386801499 /nfs/dbraw/zinc/80/14/99/386801499.db2.gz SWDQTEYBLFTPHF-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395074146 386845000 /nfs/dbraw/zinc/84/50/00/386845000.db2.gz FOJQDXKBRMOKHM-IJLUTSLNSA-N 2 1 214.353 1.124 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000051919143 386872863 /nfs/dbraw/zinc/87/28/63/386872863.db2.gz RCCOLFKNZUXYTP-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000334833736 386873319 /nfs/dbraw/zinc/87/33/19/386873319.db2.gz YYWTYXPZWMLYDY-UHFFFAOYSA-N 2 1 219.332 1.922 20 0 BDADMP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[NH3+])C2 ZINC000414940127 386877448 /nfs/dbraw/zinc/87/74/48/386877448.db2.gz HBQHZKDMHZHJPU-JQWIXIFHSA-N 2 1 234.343 1.489 20 0 BDADMP COC[C@@]1(C[NH2+][C@H]2CCCSC2)CCC[NH2+]1 ZINC000414942044 386895981 /nfs/dbraw/zinc/89/59/81/386895981.db2.gz JNMHMOGLXRPLCO-RYUDHWBXSA-N 2 1 244.404 1.240 20 0 BDADMP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000334868008 386925862 /nfs/dbraw/zinc/92/58/62/386925862.db2.gz HRDOWPLCXBHMJQ-UONOGXRCSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000334868008 386925871 /nfs/dbraw/zinc/92/58/71/386925871.db2.gz HRDOWPLCXBHMJQ-UONOGXRCSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352902876 386956444 /nfs/dbraw/zinc/95/64/44/386956444.db2.gz SPFLNQHMZATZCE-BZPMIXESSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000352902876 386956447 /nfs/dbraw/zinc/95/64/47/386956447.db2.gz SPFLNQHMZATZCE-BZPMIXESSA-N 2 1 239.407 1.399 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1SC ZINC000425352046 386960225 /nfs/dbraw/zinc/96/02/25/386960225.db2.gz HKGJRQJLAAZVQQ-RYUDHWBXSA-N 2 1 246.420 1.438 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2SC)C1 ZINC000425363732 386972909 /nfs/dbraw/zinc/97/29/09/386972909.db2.gz XTVCDTNMNPLTEN-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@H]1CCCC[NH2+]1 ZINC000332644896 386996668 /nfs/dbraw/zinc/99/66/68/386996668.db2.gz SJHJZITWOZNBSS-CYZMBNFOSA-N 2 1 248.374 1.387 20 0 BDADMP C[C@H](N[C@@H]1C[N@@H+](C)C[C@@H]1C)c1cncc(F)c1 ZINC000358411398 386951859 /nfs/dbraw/zinc/95/18/59/386951859.db2.gz XGHMOOHSNPGYNZ-OUJBWJOFSA-N 2 1 237.322 1.821 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCOC1 ZINC000398993916 387034600 /nfs/dbraw/zinc/03/46/00/387034600.db2.gz QLENBNDODMFPFZ-NWDGAFQWSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000334978973 387066554 /nfs/dbraw/zinc/06/65/54/387066554.db2.gz DQQNIHVLLITVNW-NWDGAFQWSA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000070074303 387044233 /nfs/dbraw/zinc/04/42/33/387044233.db2.gz QQKJXEKFLSDMRF-CQSZACIVSA-N 2 1 233.359 1.685 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])c2nccn21 ZINC000333319276 387026254 /nfs/dbraw/zinc/02/62/54/387026254.db2.gz UDIRNZUTEINCEH-WYUUTHIRSA-N 2 1 234.347 1.606 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000216070521 387029483 /nfs/dbraw/zinc/02/94/83/387029483.db2.gz PZIYGENJNIOVTP-WDEREUQCSA-N 2 1 235.331 1.265 20 0 BDADMP C[C@H]([NH3+])CCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070318114 387066262 /nfs/dbraw/zinc/06/62/62/387066262.db2.gz YDTVLFJZZONXEZ-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000334983416 387069328 /nfs/dbraw/zinc/06/93/28/387069328.db2.gz KBMUCMSDUDWAEB-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CCC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000334983416 387069333 /nfs/dbraw/zinc/06/93/33/387069333.db2.gz KBMUCMSDUDWAEB-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCOCC1 ZINC000118942358 387078490 /nfs/dbraw/zinc/07/84/90/387078490.db2.gz VSHUZUQVZKJONP-FZMZJTMJSA-N 2 1 240.391 1.731 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370003532 387081949 /nfs/dbraw/zinc/08/19/49/387081949.db2.gz BPYLFLFRWZIKDZ-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000334994006 387084196 /nfs/dbraw/zinc/08/41/96/387084196.db2.gz REJSFCLWXLZLOX-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP FCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334994988 387086314 /nfs/dbraw/zinc/08/63/14/387086314.db2.gz XRDORZMUZNHBTL-LLVKDONJSA-N 2 1 200.301 1.422 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccc(N)c2)[C@@H](C[NH3+])C1 ZINC000334997185 387088687 /nfs/dbraw/zinc/08/86/87/387088687.db2.gz AXOUTROQFXAFPY-BXUZGUMPSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)[C@@H](C[NH3+])C1 ZINC000334997185 387088691 /nfs/dbraw/zinc/08/86/91/387088691.db2.gz AXOUTROQFXAFPY-BXUZGUMPSA-N 2 1 233.359 1.828 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)n1 ZINC000334998182 387091201 /nfs/dbraw/zinc/09/12/01/387091201.db2.gz LRLKSWCDCCFAGP-YGRLFVJLSA-N 2 1 233.359 1.868 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)n1 ZINC000334998182 387091206 /nfs/dbraw/zinc/09/12/06/387091206.db2.gz LRLKSWCDCCFAGP-YGRLFVJLSA-N 2 1 233.359 1.868 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC000228546818 387102478 /nfs/dbraw/zinc/10/24/78/387102478.db2.gz TULZYEMYDRUIAB-HBNTYKKESA-N 2 1 200.301 1.405 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000335025734 387117004 /nfs/dbraw/zinc/11/70/04/387117004.db2.gz KPTLVZLKDWKOAQ-NWDGAFQWSA-N 2 1 205.305 1.359 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336767109 387120710 /nfs/dbraw/zinc/12/07/10/387120710.db2.gz SFECHKSTBYZYSU-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336767109 387120714 /nfs/dbraw/zinc/12/07/14/387120714.db2.gz SFECHKSTBYZYSU-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000119428525 387132186 /nfs/dbraw/zinc/13/21/86/387132186.db2.gz WSQIXEOSQQLNLT-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000119428525 387132190 /nfs/dbraw/zinc/13/21/90/387132190.db2.gz WSQIXEOSQQLNLT-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000119428525 387132193 /nfs/dbraw/zinc/13/21/93/387132193.db2.gz WSQIXEOSQQLNLT-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353146788 387145053 /nfs/dbraw/zinc/14/50/53/387145053.db2.gz KOMDNTYPKXLQBF-MNOVXSKESA-N 2 1 237.347 1.397 20 0 BDADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423310895 387148395 /nfs/dbraw/zinc/14/83/95/387148395.db2.gz SOJUAPBSTWAODV-XQHKEYJVSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423310895 387148398 /nfs/dbraw/zinc/14/83/98/387148398.db2.gz SOJUAPBSTWAODV-XQHKEYJVSA-N 3 1 225.380 1.044 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423310895 387148403 /nfs/dbraw/zinc/14/84/03/387148403.db2.gz SOJUAPBSTWAODV-XQHKEYJVSA-N 3 1 225.380 1.044 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H](COC)C1CCCC1 ZINC000423313443 387152483 /nfs/dbraw/zinc/15/24/83/387152483.db2.gz UGCNYTWUXGGGLV-CYBMUJFWSA-N 2 1 228.380 1.781 20 0 BDADMP CCC1(CC)[C@@H]([NH2+][C@H](C)C[NH3+])C[C@@H]1OC ZINC000423320484 387162788 /nfs/dbraw/zinc/16/27/88/387162788.db2.gz GQJAVDVKHNEHAQ-VWYCJHECSA-N 2 1 214.353 1.517 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423320056 387163096 /nfs/dbraw/zinc/16/30/96/387163096.db2.gz FAGOLIYDXYXDOG-MJBXVCDLSA-N 2 1 239.407 1.306 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423320056 387163101 /nfs/dbraw/zinc/16/31/01/387163101.db2.gz FAGOLIYDXYXDOG-MJBXVCDLSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)O[C@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423322066 387165210 /nfs/dbraw/zinc/16/52/10/387165210.db2.gz ILNAFWKYGVYRBV-VWYCJHECSA-N 2 1 214.353 1.515 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000423323222 387168165 /nfs/dbraw/zinc/16/81/65/387168165.db2.gz ADSCUGKTQLSWOY-XQQFMLRXSA-N 3 1 225.380 1.093 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cn[nH]c1 ZINC000423327616 387170876 /nfs/dbraw/zinc/17/08/76/387170876.db2.gz DCIIIEYCXLWOSV-PWSUYJOCSA-N 2 1 222.336 1.450 20 0 BDADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(CO)c1 ZINC000423335387 387183267 /nfs/dbraw/zinc/18/32/67/387183267.db2.gz XGMNRZQAXXRCKR-HZMBPMFUSA-N 2 1 234.343 1.567 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCO ZINC000193249966 387186316 /nfs/dbraw/zinc/18/63/16/387186316.db2.gz MRJIEMVCCQNLKM-UHFFFAOYSA-N 2 1 223.320 1.010 20 0 BDADMP CC1(C)[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@H]2CCCO[C@@H]21 ZINC000423305476 387140350 /nfs/dbraw/zinc/14/03/50/387140350.db2.gz QSULZDFQPKPGBW-LOWDOPEQSA-N 2 1 238.375 1.532 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](COC)C1CC1 ZINC000423304793 387140485 /nfs/dbraw/zinc/14/04/85/387140485.db2.gz ZLXFBICMUSDDFC-NWDGAFQWSA-N 2 1 214.353 1.519 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423425475 387252491 /nfs/dbraw/zinc/25/24/91/387252491.db2.gz GUSFZPZFMTXWLU-IJLUTSLNSA-N 2 1 213.369 1.234 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423353116 387205321 /nfs/dbraw/zinc/20/53/21/387205321.db2.gz CIPPMMLKEVAPBU-XQHKEYJVSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCOCC1 ZINC000423355985 387208051 /nfs/dbraw/zinc/20/80/51/387208051.db2.gz GELLPUABSZFJJG-WZRBSPASSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cnn(C)c1 ZINC000423357094 387208815 /nfs/dbraw/zinc/20/88/15/387208815.db2.gz HSEWDQVFJQAPLL-CMPLNLGQSA-N 2 1 222.336 1.213 20 0 BDADMP CC(C)CO[C@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423360997 387212564 /nfs/dbraw/zinc/21/25/64/387212564.db2.gz GKGVJPKEKJRYKH-SRVKXCTJSA-N 2 1 228.380 1.763 20 0 BDADMP Cc1ccccc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423426246 387252919 /nfs/dbraw/zinc/25/29/19/387252919.db2.gz HMNNWGISNLELPM-SCUASFONSA-N 2 1 216.328 1.863 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423368086 387220373 /nfs/dbraw/zinc/22/03/73/387220373.db2.gz NBAYICIRJNMHSG-UWVGGRQHSA-N 2 1 208.305 1.177 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(CO)c1 ZINC000423368087 387220793 /nfs/dbraw/zinc/22/07/93/387220793.db2.gz NBAYICIRJNMHSG-VHSXEESVSA-N 2 1 208.305 1.177 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423367795 387222193 /nfs/dbraw/zinc/22/21/93/387222193.db2.gz RKPKLHJBXHHITC-SYQHCUMBSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367795 387222198 /nfs/dbraw/zinc/22/21/98/387222198.db2.gz RKPKLHJBXHHITC-SYQHCUMBSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367795 387222201 /nfs/dbraw/zinc/22/22/01/387222201.db2.gz RKPKLHJBXHHITC-SYQHCUMBSA-N 3 1 239.407 1.447 20 0 BDADMP Cc1cncc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000423326798 387231658 /nfs/dbraw/zinc/23/16/58/387231658.db2.gz RDNBDVHNPACAES-MFKMUULPSA-N 2 1 219.332 1.778 20 0 BDADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000423326799 387233053 /nfs/dbraw/zinc/23/30/53/387233053.db2.gz RDNBDVHNPACAES-ZWNOBZJWSA-N 2 1 219.332 1.778 20 0 BDADMP CC[C@H](C[NH2+]C1CC[NH+](CCOC)CC1)OC ZINC000353570142 387233193 /nfs/dbraw/zinc/23/31/93/387233193.db2.gz DGONBBPHGYDFTK-CYBMUJFWSA-N 2 1 244.379 1.112 20 0 BDADMP Cn1cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252662049 387234184 /nfs/dbraw/zinc/23/41/84/387234184.db2.gz TXUAHEFYSBBBGE-OLZOCXBDSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252662049 387234190 /nfs/dbraw/zinc/23/41/90/387234190.db2.gz TXUAHEFYSBBBGE-OLZOCXBDSA-N 2 1 233.359 1.742 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+](C)CC1 ZINC000360170871 387236107 /nfs/dbraw/zinc/23/61/07/387236107.db2.gz PKIGPEBNFJFPPM-NSHDSACASA-N 2 1 234.347 1.091 20 0 BDADMP Cc1cnc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352487440 387248049 /nfs/dbraw/zinc/24/80/49/387248049.db2.gz FCFYRBWKGLGHHB-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1cnc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352487440 387248054 /nfs/dbraw/zinc/24/80/54/387248054.db2.gz FCFYRBWKGLGHHB-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353396419 387194932 /nfs/dbraw/zinc/19/49/32/387194932.db2.gz SUGCOPBELBJMSX-REWJHTLYSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccnn1C ZINC000423344995 387195245 /nfs/dbraw/zinc/19/52/45/387195245.db2.gz OQKIGCFTEMZUEX-WCQYABFASA-N 2 1 236.363 1.460 20 0 BDADMP C[N@H+]1CC[C@H](NCC(F)(F)CN)[C@@H]2CCC[C@@H]21 ZINC000423349436 387201112 /nfs/dbraw/zinc/20/11/12/387201112.db2.gz WTMMRSXFDDNIIY-DCAQKATOSA-N 2 1 247.333 1.043 20 0 BDADMP C[N@@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423349436 387201117 /nfs/dbraw/zinc/20/11/17/387201117.db2.gz WTMMRSXFDDNIIY-DCAQKATOSA-N 2 1 247.333 1.043 20 0 BDADMP C[N@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423349436 387201122 /nfs/dbraw/zinc/20/11/22/387201122.db2.gz WTMMRSXFDDNIIY-DCAQKATOSA-N 2 1 247.333 1.043 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC000360549298 387309782 /nfs/dbraw/zinc/30/97/82/387309782.db2.gz FJKBEOXIRLPNTL-CYBMUJFWSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423461964 387311008 /nfs/dbraw/zinc/31/10/08/387311008.db2.gz DAXXMXQLFQRZJO-QNWHQSFQSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423461962 387311029 /nfs/dbraw/zinc/31/10/29/387311029.db2.gz DAXXMXQLFQRZJO-CYDGBPFRSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCCCN1 ZINC000423465975 387312511 /nfs/dbraw/zinc/31/25/11/387312511.db2.gz AGTITRPOTRULHB-IHRRRGAJSA-N 2 1 239.407 1.639 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423466482 387314245 /nfs/dbraw/zinc/31/42/45/387314245.db2.gz AQGCKFVVEMJDQP-FRRDWIJNSA-N 3 1 225.380 1.106 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000423382811 387265864 /nfs/dbraw/zinc/26/58/64/387265864.db2.gz PDTOFDBIQURVPR-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423391412 387275581 /nfs/dbraw/zinc/27/55/81/387275581.db2.gz PKAKSMGPHJUNMP-OLZOCXBDSA-N 3 1 241.423 1.872 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000423392754 387279664 /nfs/dbraw/zinc/27/96/64/387279664.db2.gz LZUOEESMCKDPCL-NTZNESFSSA-N 2 1 236.363 1.552 20 0 BDADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1CCOC1 ZINC000360416334 387282292 /nfs/dbraw/zinc/28/22/92/387282292.db2.gz GHOORAZAQHVHSO-HZSPNIEDSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423432312 387283078 /nfs/dbraw/zinc/28/30/78/387283078.db2.gz BALMETLRDQKLCK-DCAQKATOSA-N 2 1 207.321 1.776 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCCC[C@@H]1N ZINC000423431989 387283110 /nfs/dbraw/zinc/28/31/10/387283110.db2.gz MECGEOXRCYJBGP-AGIUHOORSA-N 2 1 227.396 1.754 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(F)c1 ZINC000423432540 387284843 /nfs/dbraw/zinc/28/48/43/387284843.db2.gz MKYCPWNPTMHOBW-HWNAMQAFSA-N 2 1 220.291 1.694 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)COC2 ZINC000423434610 387286185 /nfs/dbraw/zinc/28/61/85/387286185.db2.gz OGFGUWIRESVVRJ-ISGRIPCHSA-N 2 1 244.338 1.585 20 0 BDADMP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437461 387288602 /nfs/dbraw/zinc/28/86/02/387288602.db2.gz QQAFNINPVGESFW-XEZLXBQYSA-N 2 1 217.316 1.258 20 0 BDADMP Cc1cncc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000423444337 387295707 /nfs/dbraw/zinc/29/57/07/387295707.db2.gz LQMBRDJUJFBSHU-AXFHLTTASA-N 2 1 207.321 1.776 20 0 BDADMP Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000423444339 387295946 /nfs/dbraw/zinc/29/59/46/387295946.db2.gz LQMBRDJUJFBSHU-DCAQKATOSA-N 2 1 207.321 1.776 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1cccc2cccnc21 ZINC000162046298 387299580 /nfs/dbraw/zinc/29/95/80/387299580.db2.gz MQYYDJKOJFGAJN-SNVBAGLBSA-N 2 1 215.300 1.672 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)on1 ZINC000353947742 387302443 /nfs/dbraw/zinc/30/24/43/387302443.db2.gz OUHOQMQFHUHATO-QWHCGFSZSA-N 2 1 249.358 1.742 20 0 BDADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423458355 387306673 /nfs/dbraw/zinc/30/66/73/387306673.db2.gz GSNUNOHRVSAPDS-UMSGYPCISA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643501844 387354921 /nfs/dbraw/zinc/35/49/21/387354921.db2.gz QZRPMHCQYGYWBU-DYEKYZERSA-N 2 1 237.391 1.201 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000423527808 387355176 /nfs/dbraw/zinc/35/51/76/387355176.db2.gz VZOLGUZLKQNBAW-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000423527803 387356463 /nfs/dbraw/zinc/35/64/63/387356463.db2.gz VZOLGUZLKQNBAW-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000423530345 387359305 /nfs/dbraw/zinc/35/93/05/387359305.db2.gz RCRZALNDGWIEDD-DGCLKSJQSA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423530786 387359661 /nfs/dbraw/zinc/35/96/61/387359661.db2.gz ZFDOAMVSMHDQDZ-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)C[C@H]1C)C(C)C ZINC000360916683 387367330 /nfs/dbraw/zinc/36/73/30/387367330.db2.gz AOGZLUFJDPEYAS-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000360916683 387367334 /nfs/dbraw/zinc/36/73/34/387367334.db2.gz AOGZLUFJDPEYAS-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000360916683 387367335 /nfs/dbraw/zinc/36/73/35/387367335.db2.gz AOGZLUFJDPEYAS-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)[C@@H](C)O1 ZINC000423543437 387367790 /nfs/dbraw/zinc/36/77/90/387367790.db2.gz BVVUKOVUDKNOBT-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]CCn1cc[nH+]c1C ZINC000360933677 387369443 /nfs/dbraw/zinc/36/94/43/387369443.db2.gz TZVMKZQTZNAQDI-ZDUSSCGKSA-N 2 1 239.363 1.842 20 0 BDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccnn1C ZINC000423562515 387376851 /nfs/dbraw/zinc/37/68/51/387376851.db2.gz QNSDPANUAXIADK-SNVBAGLBSA-N 2 1 222.336 1.213 20 0 BDADMP C[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462908 387321470 /nfs/dbraw/zinc/32/14/70/387321470.db2.gz YFGKGOTXMRPPDA-KWCYVHTRSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1c[nH+]ccc1N ZINC000423482637 387328538 /nfs/dbraw/zinc/32/85/38/387328538.db2.gz PLRREBRRNCRBGJ-NWDGAFQWSA-N 3 1 248.374 1.677 20 0 BDADMP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1c[nH+]ccc1N ZINC000423482632 387329679 /nfs/dbraw/zinc/32/96/79/387329679.db2.gz PLRREBRRNCRBGJ-NEPJUHHUSA-N 3 1 248.374 1.677 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@H]1C ZINC000423482762 387330016 /nfs/dbraw/zinc/33/00/16/387330016.db2.gz QYMNPKHECVGNOT-RCWTZXSCSA-N 2 1 232.318 1.865 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@H](C[NH3+])C2CCCC2)[C@@H](C)C1 ZINC000423506822 387345549 /nfs/dbraw/zinc/34/55/49/387345549.db2.gz PMSZOCGDTYHYOM-YUTCNCBUSA-N 2 1 239.407 1.434 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000423518396 387352403 /nfs/dbraw/zinc/35/24/03/387352403.db2.gz ONFWARTVMLTENA-MGPQQGTHSA-N 2 1 237.391 1.058 20 0 BDADMP COC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000515864477 387431318 /nfs/dbraw/zinc/43/13/18/387431318.db2.gz DSIVPFYAHXVCQS-SDDRHHMPSA-N 2 1 212.337 1.190 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCOCC[C@@H]1C ZINC000373816230 387398198 /nfs/dbraw/zinc/39/81/98/387398198.db2.gz SFEHNHBMZJTKOZ-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCOCC[C@@H]1C ZINC000373816230 387398201 /nfs/dbraw/zinc/39/82/01/387398201.db2.gz SFEHNHBMZJTKOZ-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000572423550 387422707 /nfs/dbraw/zinc/42/27/07/387422707.db2.gz DJZXGMACBNWRMJ-RYUDHWBXSA-N 2 1 236.363 1.824 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)O ZINC000394020248 322811503 /nfs/dbraw/zinc/81/15/03/322811503.db2.gz MRUSGNJBBPHNEM-CYBMUJFWSA-N 2 1 240.391 1.752 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000361766044 387532116 /nfs/dbraw/zinc/53/21/16/387532116.db2.gz RCNPXNYZRYSADN-NEPJUHHUSA-N 2 1 239.363 1.985 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000528757997 387588488 /nfs/dbraw/zinc/58/84/88/387588488.db2.gz DNAZBQWXDKXHNG-XHJNMGKDSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000528761754 387594057 /nfs/dbraw/zinc/59/40/57/387594057.db2.gz ZNXFKUWZNGCFGQ-MEWQQHAOSA-N 2 1 237.347 1.364 20 0 BDADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000123846869 387595582 /nfs/dbraw/zinc/59/55/82/387595582.db2.gz HEGRMUVDNYNBSV-QWHCGFSZSA-N 2 1 236.363 1.121 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cn1 ZINC000422560104 387600508 /nfs/dbraw/zinc/60/05/08/387600508.db2.gz FQIGFLPUEXNZQH-DRZSPHRISA-N 2 1 248.374 1.590 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cn1 ZINC000422560104 387600512 /nfs/dbraw/zinc/60/05/12/387600512.db2.gz FQIGFLPUEXNZQH-DRZSPHRISA-N 2 1 248.374 1.590 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305364951 387601381 /nfs/dbraw/zinc/60/13/81/387601381.db2.gz VIAFMHJURWQIBJ-MELADBBJSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCC[C@@H]1O ZINC000305636551 387618701 /nfs/dbraw/zinc/61/87/01/387618701.db2.gz ORZLZNOGZKVUTC-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCC[C@@H]1O ZINC000305636551 387618706 /nfs/dbraw/zinc/61/87/06/387618706.db2.gz ORZLZNOGZKVUTC-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCC[C@@H]1O ZINC000305636551 387618711 /nfs/dbraw/zinc/61/87/11/387618711.db2.gz ORZLZNOGZKVUTC-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422708541 387622228 /nfs/dbraw/zinc/62/22/28/387622228.db2.gz JBRPMMDMTHMPFX-KBPBESRZSA-N 2 1 241.423 1.968 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000305651452 387623042 /nfs/dbraw/zinc/62/30/42/387623042.db2.gz CDFYVSCOOLYWIO-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)CC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000305651452 387623048 /nfs/dbraw/zinc/62/30/48/387623048.db2.gz CDFYVSCOOLYWIO-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)CC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000305651452 387623050 /nfs/dbraw/zinc/62/30/50/387623050.db2.gz CDFYVSCOOLYWIO-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC000305679721 387625101 /nfs/dbraw/zinc/62/51/01/387625101.db2.gz NCZZCWDSTCEEKL-QWHCGFSZSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000305679721 387625105 /nfs/dbraw/zinc/62/51/05/387625105.db2.gz NCZZCWDSTCEEKL-QWHCGFSZSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000305679721 387625110 /nfs/dbraw/zinc/62/51/10/387625110.db2.gz NCZZCWDSTCEEKL-QWHCGFSZSA-N 2 1 228.380 1.562 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422712484 387625226 /nfs/dbraw/zinc/62/52/26/387625226.db2.gz OHIRKFQXEDKTNB-NWDGAFQWSA-N 2 1 215.385 1.434 20 0 BDADMP CCCCN(C)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422712484 387625230 /nfs/dbraw/zinc/62/52/30/387625230.db2.gz OHIRKFQXEDKTNB-NWDGAFQWSA-N 2 1 215.385 1.434 20 0 BDADMP C[C@H](CCC1CCCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305126377 387559470 /nfs/dbraw/zinc/55/94/70/387559470.db2.gz LIDSTHSLWRAZKP-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)O ZINC000305146255 387563270 /nfs/dbraw/zinc/56/32/70/387563270.db2.gz YGPKOPFHJJHPTM-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000305146255 387563276 /nfs/dbraw/zinc/56/32/76/387563276.db2.gz YGPKOPFHJJHPTM-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000305146255 387563277 /nfs/dbraw/zinc/56/32/77/387563277.db2.gz YGPKOPFHJJHPTM-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000037893477 387568244 /nfs/dbraw/zinc/56/82/44/387568244.db2.gz ZATOUHJBVNDHQA-HIFRSBDPSA-N 2 1 248.370 1.576 20 0 BDADMP Cc1ccc2nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn2c1 ZINC000422721869 387633833 /nfs/dbraw/zinc/63/38/33/387633833.db2.gz WFYOUXRKTJXRIK-NEPJUHHUSA-N 2 1 246.358 1.858 20 0 BDADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422721623 387633900 /nfs/dbraw/zinc/63/39/00/387633900.db2.gz VVCFBPMYIRYRKJ-ZIAGYGMSSA-N 2 1 233.359 1.722 20 0 BDADMP CCCCOCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422726194 387636876 /nfs/dbraw/zinc/63/68/76/387636876.db2.gz DJWADCDJRKRCMO-STQMWFEESA-N 2 1 228.380 1.781 20 0 BDADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000430699327 387640550 /nfs/dbraw/zinc/64/05/50/387640550.db2.gz YGRRZVCJEGBNPM-REWJHTLYSA-N 2 1 242.407 1.713 20 0 BDADMP COC[C@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000123055353 387641136 /nfs/dbraw/zinc/64/11/36/387641136.db2.gz DQISKYBABURMPI-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP CCOCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422735060 387642618 /nfs/dbraw/zinc/64/26/18/387642618.db2.gz UKJFDNAETIIDQJ-QWRGUYRKSA-N 2 1 200.326 1.001 20 0 BDADMP C[C@@H]([NH2+]Cc1cccc2c1OCO2)C1C[NH2+]C1 ZINC000422738772 387646586 /nfs/dbraw/zinc/64/65/86/387646586.db2.gz JWPBBECLRLFZCV-SECBINFHSA-N 2 1 234.299 1.113 20 0 BDADMP CC[C@H](NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746221 387650772 /nfs/dbraw/zinc/65/07/72/387650772.db2.gz WEWVQQOOCRDDPK-UBHSHLNASA-N 2 1 239.407 1.589 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747624 387651454 /nfs/dbraw/zinc/65/14/54/387651454.db2.gz ZCLSCNWPQDGYND-SNPRPXQTSA-N 2 1 248.370 1.320 20 0 BDADMP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000430795690 387652760 /nfs/dbraw/zinc/65/27/60/387652760.db2.gz HKONPHPLPALHIG-WOPDTQHZSA-N 2 1 241.379 1.055 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422750595 387656901 /nfs/dbraw/zinc/65/69/01/387656901.db2.gz DIWHNVIBZCRFSC-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCOCC2CC2)CC[N@@H+]1C ZINC000123136530 387657226 /nfs/dbraw/zinc/65/72/26/387657226.db2.gz PMWBVINTCFOLMO-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCOCC2CC2)CC[N@H+]1C ZINC000123136530 387657229 /nfs/dbraw/zinc/65/72/29/387657229.db2.gz PMWBVINTCFOLMO-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCOCC2CC2)CC[NH+]1C ZINC000123136530 387657233 /nfs/dbraw/zinc/65/72/33/387657233.db2.gz PMWBVINTCFOLMO-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC2CC2)CC[NH+]1C ZINC000123136530 387657236 /nfs/dbraw/zinc/65/72/36/387657236.db2.gz PMWBVINTCFOLMO-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP CN(CC[N@H+]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430939415 387662601 /nfs/dbraw/zinc/66/26/01/387662601.db2.gz GCFHBSXGQNPTNR-ZDUSSCGKSA-N 2 1 233.359 1.403 20 0 BDADMP C[C@@H]([NH2+]Cc1ccccc1F)C1C[NH2+]C1 ZINC000422768371 387668194 /nfs/dbraw/zinc/66/81/94/387668194.db2.gz SYBNRTCHEBOSAG-SECBINFHSA-N 2 1 208.280 1.523 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCCC1 ZINC000422767778 387668320 /nfs/dbraw/zinc/66/83/20/387668320.db2.gz ROCLQIZQQOQHLI-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422767328 387668529 /nfs/dbraw/zinc/66/85/29/387668529.db2.gz RXOSYKAKWXWRMD-HUUCEWRRSA-N 2 1 247.386 1.588 20 0 BDADMP CN(CC[NH2+][C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422767328 387668532 /nfs/dbraw/zinc/66/85/32/387668532.db2.gz RXOSYKAKWXWRMD-HUUCEWRRSA-N 2 1 247.386 1.588 20 0 BDADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@H]2CCCO[C@@H]21 ZINC000422775848 387673217 /nfs/dbraw/zinc/67/32/17/387673217.db2.gz BMODXOXRZILATL-KKOKHZNYSA-N 2 1 224.348 1.142 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422782428 387680984 /nfs/dbraw/zinc/68/09/84/387680984.db2.gz MYHGBYHMHHSKSK-GRYCIOLGSA-N 2 1 214.353 1.124 20 0 BDADMP [NH3+]CC1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000422784105 387682976 /nfs/dbraw/zinc/68/29/76/387682976.db2.gz LVQJFYNVBVLUPD-UHFFFAOYSA-N 2 1 239.407 1.579 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694621 387687728 /nfs/dbraw/zinc/68/77/28/387687728.db2.gz YBBSLWASIJUQOT-PYJNHQTQSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694621 387687735 /nfs/dbraw/zinc/68/77/35/387687735.db2.gz YBBSLWASIJUQOT-PYJNHQTQSA-N 2 1 238.375 1.077 20 0 BDADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000422794607 387696521 /nfs/dbraw/zinc/69/65/21/387696521.db2.gz ZELZGUFADJCKOS-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422742843 387690563 /nfs/dbraw/zinc/69/05/63/387690563.db2.gz QTNLCCUISWUGEA-STQMWFEESA-N 2 1 220.316 1.148 20 0 BDADMP CCOCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363117227 387690906 /nfs/dbraw/zinc/69/09/06/387690906.db2.gz FQXVXIRHLHFFRH-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363117227 387690909 /nfs/dbraw/zinc/69/09/09/387690909.db2.gz FQXVXIRHLHFFRH-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363117227 387690913 /nfs/dbraw/zinc/69/09/13/387690913.db2.gz FQXVXIRHLHFFRH-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422791240 387692541 /nfs/dbraw/zinc/69/25/41/387692541.db2.gz YIDVWTFUPXJQLK-YNEHKIRRSA-N 2 1 228.380 1.514 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000643525333 387743521 /nfs/dbraw/zinc/74/35/21/387743521.db2.gz XCNIBFKJNFUTQM-RVMXOQNASA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422861983 387743829 /nfs/dbraw/zinc/74/38/29/387743829.db2.gz PGOBPEAJEDUIBY-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422861983 387743836 /nfs/dbraw/zinc/74/38/36/387743836.db2.gz PGOBPEAJEDUIBY-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861059 387744535 /nfs/dbraw/zinc/74/45/35/387744535.db2.gz IWPSFOKHDXQSHP-GFQSEFKGSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000422865698 387747464 /nfs/dbraw/zinc/74/74/64/387747464.db2.gz PIMPWJOENGWABA-YFKTTZPYSA-N 2 1 225.380 1.327 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000422865698 387747468 /nfs/dbraw/zinc/74/74/68/387747468.db2.gz PIMPWJOENGWABA-YFKTTZPYSA-N 2 1 225.380 1.327 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871382 387748790 /nfs/dbraw/zinc/74/87/90/387748790.db2.gz ZYKKWJFGZYPKMM-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000422869140 387748908 /nfs/dbraw/zinc/74/89/08/387748908.db2.gz WSSWSBMJSHDIRY-MCIONIFRSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000422869140 387748913 /nfs/dbraw/zinc/74/89/13/387748913.db2.gz WSSWSBMJSHDIRY-MCIONIFRSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422868788 387749045 /nfs/dbraw/zinc/74/90/45/387749045.db2.gz WBBITIHZVSEVGH-FRRDWIJNSA-N 2 1 225.380 1.330 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H](C)C[S@@](C)=O)CC1 ZINC000157145321 387750275 /nfs/dbraw/zinc/75/02/75/387750275.db2.gz PGGKVJUEDVZXBH-BZNIZROVSA-N 2 1 246.420 1.217 20 0 BDADMP CC[C@@H](C)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441370467 387754498 /nfs/dbraw/zinc/75/44/98/387754498.db2.gz HRSATYNLVLDLQE-CYBMUJFWSA-N 2 1 241.423 1.648 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000422805744 387704762 /nfs/dbraw/zinc/70/47/62/387704762.db2.gz HHTYTDZCYACAHY-QJPTWQEYSA-N 2 1 228.380 1.778 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422880133 387755068 /nfs/dbraw/zinc/75/50/68/387755068.db2.gz NIBGESIXTAVSLI-VXGBXAGGSA-N 2 1 213.369 1.186 20 0 BDADMP c1cnn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000422808607 387707239 /nfs/dbraw/zinc/70/72/39/387707239.db2.gz LDTBMKKEYCHHMT-FRRDWIJNSA-N 2 1 234.347 1.318 20 0 BDADMP CSCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377262365 387708089 /nfs/dbraw/zinc/70/80/89/387708089.db2.gz PGXDHQQZFPTALP-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC(C1)CO2 ZINC000527790432 387717755 /nfs/dbraw/zinc/71/77/55/387717755.db2.gz OGEZLYQZONGGLN-YIFLHPOLSA-N 2 1 236.359 1.382 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOC1CCCC1 ZINC000422823914 387719906 /nfs/dbraw/zinc/71/99/06/387719906.db2.gz FKXMLVKAISEMEJ-GXTWGEPZSA-N 2 1 240.391 1.923 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccn(C)n1 ZINC000643523225 387723933 /nfs/dbraw/zinc/72/39/33/387723933.db2.gz YBGMMWMREKHBLT-RYUDHWBXSA-N 2 1 236.363 1.603 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000422830233 387724015 /nfs/dbraw/zinc/72/40/15/387724015.db2.gz VNVBHAQXZCNZSY-RFGFWPKPSA-N 2 1 240.391 1.515 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000422844384 387731384 /nfs/dbraw/zinc/73/13/84/387731384.db2.gz LPJGQHVBZBFONR-TUAOUCFPSA-N 2 1 222.336 1.002 20 0 BDADMP COCCOCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422845980 387733914 /nfs/dbraw/zinc/73/39/14/387733914.db2.gz DKLDAGDEGFRGEE-CHWSQXEVSA-N 2 1 244.379 1.017 20 0 BDADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000356847774 387733977 /nfs/dbraw/zinc/73/39/77/387733977.db2.gz JTPNUYOBFHNYPH-MJBXVCDLSA-N 2 1 244.423 1.959 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000422847144 387734915 /nfs/dbraw/zinc/73/49/15/387734915.db2.gz HLOIFJBDCWGSRZ-NNYUYHANSA-N 2 1 226.364 1.530 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000128029164 387735327 /nfs/dbraw/zinc/73/53/27/387735327.db2.gz VYFCIXVTBBAKCF-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128029164 387735335 /nfs/dbraw/zinc/73/53/35/387735335.db2.gz VYFCIXVTBBAKCF-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128029164 387735342 /nfs/dbraw/zinc/73/53/42/387735342.db2.gz VYFCIXVTBBAKCF-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1(C)C ZINC000422852638 387736758 /nfs/dbraw/zinc/73/67/58/387736758.db2.gz QUHJSSYRRIVLQI-WHOHXGKFSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422858816 387742328 /nfs/dbraw/zinc/74/23/28/387742328.db2.gz IVPYSICRBCGFGS-CHWSQXEVSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422858816 387742332 /nfs/dbraw/zinc/74/23/32/387742332.db2.gz IVPYSICRBCGFGS-CHWSQXEVSA-N 3 1 239.407 1.720 20 0 BDADMP CCC[C@H]([NH2+]C[C@H](C)[NH3+])c1cccnc1 ZINC000643527919 387762358 /nfs/dbraw/zinc/76/23/58/387762358.db2.gz VMLRXPZCQJZXGU-JQWIXIFHSA-N 2 1 207.321 1.860 20 0 BDADMP CCOCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422897699 387766310 /nfs/dbraw/zinc/76/63/10/387766310.db2.gz KECIZCFCYVIARC-VIFPVBQESA-N 2 1 209.293 1.181 20 0 BDADMP CCOCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422899043 387766692 /nfs/dbraw/zinc/76/66/92/387766692.db2.gz NKRYGEZKQQQJOZ-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP FCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000378168206 387770438 /nfs/dbraw/zinc/77/04/38/387770438.db2.gz JWEBLTMYTTVWSF-AGIUHOORSA-N 2 1 226.339 1.762 20 0 BDADMP FCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000378168206 387770440 /nfs/dbraw/zinc/77/04/40/387770440.db2.gz JWEBLTMYTTVWSF-AGIUHOORSA-N 2 1 226.339 1.762 20 0 BDADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643529008 387771932 /nfs/dbraw/zinc/77/19/32/387771932.db2.gz SOHRYANSXCKPNL-CABZTGNLSA-N 2 1 220.316 1.619 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422912045 387772019 /nfs/dbraw/zinc/77/20/19/387772019.db2.gz VBKMQCPWVSFZOY-IHRRRGAJSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@H](C[NH3+])CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000441617699 387772738 /nfs/dbraw/zinc/77/27/38/387772738.db2.gz YHVIONWGFTWSNQ-DGCLKSJQSA-N 2 1 249.358 1.000 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000422916905 387773352 /nfs/dbraw/zinc/77/33/52/387773352.db2.gz BWZRWSDJRZSLOM-OUAUKWLOSA-N 2 1 214.378 1.612 20 0 BDADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643529010 387773387 /nfs/dbraw/zinc/77/33/87/387773387.db2.gz SOHRYANSXCKPNL-SKDRFNHKSA-N 2 1 220.316 1.619 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000643529106 387774466 /nfs/dbraw/zinc/77/44/66/387774466.db2.gz VGPGQQPIYADCTG-UWVGGRQHSA-N 2 1 220.316 1.715 20 0 BDADMP C[C@@H]([NH2+]C1(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422934504 387782516 /nfs/dbraw/zinc/78/25/16/387782516.db2.gz JOYBKDOGIXPJDP-LLVKDONJSA-N 2 1 216.328 1.873 20 0 BDADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000432363648 387784736 /nfs/dbraw/zinc/78/47/36/387784736.db2.gz WNTURGBQKGZZHZ-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000432363648 387784742 /nfs/dbraw/zinc/78/47/42/387784742.db2.gz WNTURGBQKGZZHZ-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1F ZINC000422947568 387785447 /nfs/dbraw/zinc/78/54/47/387785447.db2.gz YLVHJXCUDOTYDP-SECBINFHSA-N 2 1 238.306 1.532 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422902037 387787225 /nfs/dbraw/zinc/78/72/25/387787225.db2.gz COAZESYODFHXKH-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422902037 387787230 /nfs/dbraw/zinc/78/72/30/387787230.db2.gz COAZESYODFHXKH-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132089581 387787752 /nfs/dbraw/zinc/78/77/52/387787752.db2.gz WWZYGKBGEIAKAZ-UONOGXRCSA-N 2 1 233.359 1.673 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422980704 387791079 /nfs/dbraw/zinc/79/10/79/387791079.db2.gz QQZIPGLUTQMGHT-GWCFXTLKSA-N 2 1 237.347 1.552 20 0 BDADMP CCCC(O)(CCC)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422981600 387793007 /nfs/dbraw/zinc/79/30/07/387793007.db2.gz TWNNBGDXKDSCSR-CHWSQXEVSA-N 2 1 242.407 1.905 20 0 BDADMP CCCC(O)(CCC)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422981601 387793426 /nfs/dbraw/zinc/79/34/26/387793426.db2.gz TWNNBGDXKDSCSR-OLZOCXBDSA-N 2 1 242.407 1.905 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422982954 387793898 /nfs/dbraw/zinc/79/38/98/387793898.db2.gz YHECQWHNYFFSMT-IHRRRGAJSA-N 2 1 242.407 1.761 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422991480 387800985 /nfs/dbraw/zinc/80/09/85/387800985.db2.gz BFBZNVQDVJFTDB-WOPDTQHZSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccccn1 ZINC000422995339 387802128 /nfs/dbraw/zinc/80/21/28/387802128.db2.gz JVIJVIWAYFQKDM-TZMCWYRMSA-N 2 1 233.359 1.602 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccccn1 ZINC000422995336 387802574 /nfs/dbraw/zinc/80/25/74/387802574.db2.gz JVIJVIWAYFQKDM-JSGCOSHPSA-N 2 1 233.359 1.602 20 0 BDADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423001010 387804568 /nfs/dbraw/zinc/80/45/68/387804568.db2.gz HHBGGLGPODRGTQ-YNEHKIRRSA-N 2 1 242.407 1.760 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423001003 387804913 /nfs/dbraw/zinc/80/49/13/387804913.db2.gz HHBGGLGPODRGTQ-AGIUHOORSA-N 2 1 242.407 1.760 20 0 BDADMP CCc1ccc([C@H](CO)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422998145 387805910 /nfs/dbraw/zinc/80/59/10/387805910.db2.gz CIMJSNWPOOFFQT-HNNXBMFYSA-N 2 1 248.370 1.624 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000422882465 387758046 /nfs/dbraw/zinc/75/80/46/387758046.db2.gz SIRKYMFUGKFYFP-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422885140 387759920 /nfs/dbraw/zinc/75/99/20/387759920.db2.gz YFPJQLNOBOYSDG-NEPJUHHUSA-N 2 1 215.385 1.432 20 0 BDADMP Cc1noc(C)c1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422885289 387760312 /nfs/dbraw/zinc/76/03/12/387760312.db2.gz GTFJNNTYDSMCTA-ZWNOBZJWSA-N 2 1 237.347 1.564 20 0 BDADMP Cc1noc(C)c1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422885287 387761392 /nfs/dbraw/zinc/76/13/92/387761392.db2.gz GTFJNNTYDSMCTA-GXFFZTMASA-N 2 1 237.347 1.564 20 0 BDADMP C[C@@H]([NH2+]C[C@](C)(O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000422973051 387820790 /nfs/dbraw/zinc/82/07/90/387820790.db2.gz BBPUTMNRIOAEBB-RTXFEEFZSA-N 2 1 226.364 1.268 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000162304821 387825104 /nfs/dbraw/zinc/82/51/04/387825104.db2.gz WWAVGCQPHZEXHV-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CO1 ZINC000564085064 387825078 /nfs/dbraw/zinc/82/50/78/387825078.db2.gz SJNFPUXYXBIFFJ-XVIXHAIJSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423007772 387829125 /nfs/dbraw/zinc/82/91/25/387829125.db2.gz ROWHNLCQORYQJO-BPLDGKMQSA-N 2 1 248.370 1.493 20 0 BDADMP Cc1cnccc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423014832 387838707 /nfs/dbraw/zinc/83/87/07/387838707.db2.gz PSIXYDUCHIMUAX-FZMZJTMJSA-N 2 1 233.359 1.520 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423014395 387839188 /nfs/dbraw/zinc/83/91/88/387839188.db2.gz IIRNMYWAURMSNZ-KKOKHZNYSA-N 2 1 212.337 1.142 20 0 BDADMP COc1cc(F)cc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000423014614 387839341 /nfs/dbraw/zinc/83/93/41/387839341.db2.gz JBCTZJKRTRRMHX-VIFPVBQESA-N 2 1 238.306 1.532 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000423026875 387843553 /nfs/dbraw/zinc/84/35/53/387843553.db2.gz CKGZBKAQRZFRGA-FIQHERPVSA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000423026875 387843557 /nfs/dbraw/zinc/84/35/57/387843557.db2.gz CKGZBKAQRZFRGA-FIQHERPVSA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000423032426 387848233 /nfs/dbraw/zinc/84/82/33/387848233.db2.gz MSKFOGCTURNMKS-QNWHQSFQSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000423032426 387848237 /nfs/dbraw/zinc/84/82/37/387848237.db2.gz MSKFOGCTURNMKS-QNWHQSFQSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000433027814 387852602 /nfs/dbraw/zinc/85/26/02/387852602.db2.gz XBUBOENTJIYYPH-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000423042896 387854907 /nfs/dbraw/zinc/85/49/07/387854907.db2.gz MPDLCNNFOHUOAG-FRRDWIJNSA-N 2 1 226.364 1.533 20 0 BDADMP CC[C@@H]([NH2+]CCOC(C)C)[C@@H]1CCC[NH2+]1 ZINC000423041449 387854954 /nfs/dbraw/zinc/85/49/54/387854954.db2.gz XGFINXNPEAQSHI-NEPJUHHUSA-N 2 1 214.353 1.532 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000423044913 387855249 /nfs/dbraw/zinc/85/52/49/387855249.db2.gz CFCRBJLKYDZIIQ-SDDRHHMPSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460256 387874506 /nfs/dbraw/zinc/87/45/06/387874506.db2.gz GYPCXIPVHUKQHM-MBNYWOFBSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000423065130 387868584 /nfs/dbraw/zinc/86/85/84/387868584.db2.gz SWNHBJFJADTLPD-LPWJVIDDSA-N 2 1 226.364 1.125 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423068175 387870538 /nfs/dbraw/zinc/87/05/38/387870538.db2.gz JGGVPBGTEDWICF-VXGBXAGGSA-N 2 1 228.380 1.515 20 0 BDADMP CC[N@@H+](CCNC(=O)[C@@H](C[NH3+])C(C)C)C(C)C ZINC000433148391 387872191 /nfs/dbraw/zinc/87/21/91/387872191.db2.gz AOALPVHMDNYZIJ-LBPRGKRZSA-N 2 1 243.395 1.064 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422965648 387817351 /nfs/dbraw/zinc/81/73/51/387817351.db2.gz PDJYUDRMNCQGOD-NWDGAFQWSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000442661375 387817381 /nfs/dbraw/zinc/81/73/81/387817381.db2.gz NIHLNRKFCZKJRV-WCQYABFASA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H]([NH3+])CN1CC[NH+](Cc2cccs2)CC1 ZINC000442662798 387817438 /nfs/dbraw/zinc/81/74/38/387817438.db2.gz QWFOLCJWMMWHGI-NSHDSACASA-N 2 1 239.388 1.213 20 0 BDADMP CC[C@H]([NH2+]CCc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000422969274 387818847 /nfs/dbraw/zinc/81/88/47/387818847.db2.gz ZKZVBCCIHLFCHY-STQMWFEESA-N 2 1 222.332 1.942 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC000194534426 387891451 /nfs/dbraw/zinc/89/14/51/387891451.db2.gz JPVFCYWLVGQSIT-FRRDWIJNSA-N 2 1 222.332 1.173 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000423114948 387895736 /nfs/dbraw/zinc/89/57/36/387895736.db2.gz WMGOGYDSDDOZRI-XQQFMLRXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423115498 387896153 /nfs/dbraw/zinc/89/61/53/387896153.db2.gz YASUXMWVXBGMME-RKQHYHRCSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000423114711 387896594 /nfs/dbraw/zinc/89/65/94/387896594.db2.gz WAMNJABQOJFEGH-FDYHWXHSSA-N 2 1 226.364 1.247 20 0 BDADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000423115400 387896994 /nfs/dbraw/zinc/89/69/94/387896994.db2.gz NFURSSCDWSGQBT-RNJOBUHISA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)C1C[NH2+]C1 ZINC000423078328 387876537 /nfs/dbraw/zinc/87/65/37/387876537.db2.gz VRTKHYZANWDMQT-GFCCVEGCSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423080915 387877024 /nfs/dbraw/zinc/87/70/24/387877024.db2.gz UACGFNJUKUQJCI-CHWSQXEVSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423093104 387883317 /nfs/dbraw/zinc/88/33/17/387883317.db2.gz FTZNEKZNZVBJEB-JHJVBQTASA-N 2 1 242.407 1.904 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152413746 387884032 /nfs/dbraw/zinc/88/40/32/387884032.db2.gz XYJXZINTUUSKSR-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000423095222 387884829 /nfs/dbraw/zinc/88/48/29/387884829.db2.gz LQPVIEOPKWWEGI-KGLIPLIRSA-N 2 1 237.391 1.369 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCCO1 ZINC000313357061 387888425 /nfs/dbraw/zinc/88/84/25/387888425.db2.gz SUVQLGVAMIOWQA-GHMZBOCLSA-N 2 1 248.317 1.471 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423125140 387903079 /nfs/dbraw/zinc/90/30/79/387903079.db2.gz NATLSSUWFAIDKC-RQJABVFESA-N 2 1 240.391 1.373 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423130508 387907989 /nfs/dbraw/zinc/90/79/89/387907989.db2.gz YRSJHVGCJQBQLX-AVGNSLFASA-N 2 1 229.412 1.822 20 0 BDADMP CCCCN(C)C[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423130508 387907993 /nfs/dbraw/zinc/90/79/93/387907993.db2.gz YRSJHVGCJQBQLX-AVGNSLFASA-N 2 1 229.412 1.822 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423135209 387911548 /nfs/dbraw/zinc/91/15/48/387911548.db2.gz FNNZXLABHVHHKD-MGPQQGTHSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H](F)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423137306 387914351 /nfs/dbraw/zinc/91/43/51/387914351.db2.gz QSZBDGZSYBOWHC-BDAKNGLRSA-N 2 1 211.284 1.893 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423138134 387915748 /nfs/dbraw/zinc/91/57/48/387915748.db2.gz SFISURFLESHJRL-IUCAKERBSA-N 2 1 225.336 1.761 20 0 BDADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000164644713 387915722 /nfs/dbraw/zinc/91/57/22/387915722.db2.gz PLBBXHNVOYGOPQ-NEPJUHHUSA-N 2 1 214.353 1.341 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423141745 387917764 /nfs/dbraw/zinc/91/77/64/387917764.db2.gz ROVWLSCEIBYKAZ-RYUDHWBXSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000423153282 387931996 /nfs/dbraw/zinc/93/19/96/387931996.db2.gz HJGBBNMUSQALAN-FRRDWIJNSA-N 2 1 226.364 1.391 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000424285569 387952471 /nfs/dbraw/zinc/95/24/71/387952471.db2.gz FWVSTHNCCWIUIJ-YNEHKIRRSA-N 2 1 225.380 1.236 20 0 BDADMP CC[C@@H]([NH2+]CCc1cn(C)cn1)[C@@H]1CCC[NH2+]1 ZINC000423169829 387955450 /nfs/dbraw/zinc/95/54/50/387955450.db2.gz WNGQJWXRJSMFFR-OLZOCXBDSA-N 2 1 236.363 1.083 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000423168927 387955475 /nfs/dbraw/zinc/95/54/75/387955475.db2.gz VKPONTASUYYVLM-CYBMUJFWSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CC[N@H+]1CCCC1(C)C ZINC000423168927 387955477 /nfs/dbraw/zinc/95/54/77/387955477.db2.gz VKPONTASUYYVLM-CYBMUJFWSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423158423 387939995 /nfs/dbraw/zinc/93/99/95/387939995.db2.gz WSYPEUIDKOUVIX-RKFYDKJMSA-N 2 1 237.391 1.199 20 0 BDADMP COC(=O)CC1CC([NH2+]C2CC[NH+](C)CC2)C1 ZINC000424254851 387944483 /nfs/dbraw/zinc/94/44/83/387944483.db2.gz HEZVPXKYCQWYDL-UHFFFAOYSA-N 2 1 240.347 1.012 20 0 BDADMP CC/C=C\C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423162931 387946480 /nfs/dbraw/zinc/94/64/80/387946480.db2.gz UYOSPZWQZBTIEQ-JXABGOGHSA-N 2 1 238.375 1.699 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459478151 387947052 /nfs/dbraw/zinc/94/70/52/387947052.db2.gz KFECECWVZIQVDT-YIZWMMSDSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459478151 387947056 /nfs/dbraw/zinc/94/70/56/387947056.db2.gz KFECECWVZIQVDT-YIZWMMSDSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459478148 387947204 /nfs/dbraw/zinc/94/72/04/387947204.db2.gz KFECECWVZIQVDT-ORHYLEIMSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459478148 387947208 /nfs/dbraw/zinc/94/72/08/387947208.db2.gz KFECECWVZIQVDT-ORHYLEIMSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000423165329 387947304 /nfs/dbraw/zinc/94/73/04/387947304.db2.gz PUNQFUSZSLRREC-RHYQMDGZSA-N 2 1 212.337 1.284 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C12CCC2 ZINC000423166753 387950730 /nfs/dbraw/zinc/95/07/30/387950730.db2.gz DBJGALVKZDDSDV-ZDEQEGDKSA-N 2 1 238.375 1.532 20 0 BDADMP Cc1ccc(CC[C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000423178199 387963722 /nfs/dbraw/zinc/96/37/22/387963722.db2.gz HZRWBICGZBQUDW-GFCCVEGCSA-N 2 1 206.333 1.864 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH3+])C1 ZINC000423182376 387967378 /nfs/dbraw/zinc/96/73/78/387967378.db2.gz LPRQRUWFAPWAPZ-OCCSQVGLSA-N 2 1 233.359 1.370 20 0 BDADMP CCn1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000423171023 387957180 /nfs/dbraw/zinc/95/71/80/387957180.db2.gz NDWQKCIMTVEVIQ-AAEUAGOBSA-N 2 1 236.363 1.510 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423170323 387957300 /nfs/dbraw/zinc/95/73/00/387957300.db2.gz LPGAUAPLKRVLMD-XQQFMLRXSA-N 3 1 227.396 1.434 20 0 BDADMP COCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423192841 387978486 /nfs/dbraw/zinc/97/84/86/387978486.db2.gz VAGDTYKMOVZZSO-GFJIZPEISA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCCO1 ZINC000245694974 387973757 /nfs/dbraw/zinc/97/37/57/387973757.db2.gz WSHGXOGVRNIDLX-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC000245694974 387973762 /nfs/dbraw/zinc/97/37/62/387973762.db2.gz WSHGXOGVRNIDLX-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC000245694974 387973765 /nfs/dbraw/zinc/97/37/65/387973765.db2.gz WSHGXOGVRNIDLX-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C ZINC000423190981 387975991 /nfs/dbraw/zinc/97/59/91/387975991.db2.gz TXHNALKLABGQQA-NXEZZACHSA-N 2 1 200.326 1.127 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1(CO)CC1 ZINC000446068178 387991412 /nfs/dbraw/zinc/99/14/12/387991412.db2.gz FDNLHTFBEDACMY-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1(CO)CC1 ZINC000446068178 387991415 /nfs/dbraw/zinc/99/14/15/387991415.db2.gz FDNLHTFBEDACMY-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1(CO)CC1 ZINC000446068178 387991418 /nfs/dbraw/zinc/99/14/18/387991418.db2.gz FDNLHTFBEDACMY-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000086435836 135084232 /nfs/dbraw/zinc/08/42/32/135084232.db2.gz WDQGHVDFVYEUCJ-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP CC(C)[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424341347 387982682 /nfs/dbraw/zinc/98/26/82/387982682.db2.gz VBZBJMODVMQSCW-VIFPVBQESA-N 2 1 238.335 1.844 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000453102375 387984288 /nfs/dbraw/zinc/98/42/88/387984288.db2.gz PKAJQLOFOKWWME-YVECIDJPSA-N 2 1 228.380 1.323 20 0 BDADMP CCc1cccnc1[C@@H](C)[NH2+]CCC[NH2+]C ZINC000423199616 387986326 /nfs/dbraw/zinc/98/63/26/387986326.db2.gz KDHWEAAAWOBPKP-LLVKDONJSA-N 2 1 221.348 1.904 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC1(N)CCCCCC1 ZINC000423201809 387987074 /nfs/dbraw/zinc/98/70/74/387987074.db2.gz PRIZDXJHXINSMV-LBPRGKRZSA-N 2 1 227.396 1.755 20 0 BDADMP CC[C@H]([NH2+]CCC[NH2+]C)c1c(C)noc1C ZINC000420397822 387996915 /nfs/dbraw/zinc/99/69/15/387996915.db2.gz GIZOIKROHWQMJH-NSHDSACASA-N 2 1 225.336 1.942 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423214254 387996986 /nfs/dbraw/zinc/99/69/86/387996986.db2.gz ONFHYTGPMPNHSH-YRGRVCCFSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423214254 387996990 /nfs/dbraw/zinc/99/69/90/387996990.db2.gz ONFHYTGPMPNHSH-YRGRVCCFSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000423222341 388001793 /nfs/dbraw/zinc/00/17/93/388001793.db2.gz APXOYLQJYDPHTH-QWRGUYRKSA-N 2 1 246.358 1.961 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453198526 388008876 /nfs/dbraw/zinc/00/88/76/388008876.db2.gz PCIDMXVPSNHSPZ-ZIAGYGMSSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453198526 388008878 /nfs/dbraw/zinc/00/88/78/388008878.db2.gz PCIDMXVPSNHSPZ-ZIAGYGMSSA-N 2 1 238.375 1.221 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH2+]C)C12CCCC2 ZINC000423226647 388009068 /nfs/dbraw/zinc/00/90/68/388009068.db2.gz RPDNSJUNBGVDQZ-NEPJUHHUSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423226564 388010015 /nfs/dbraw/zinc/01/00/15/388010015.db2.gz REHKSGPCAMNLLM-RFQIPJPRSA-N 3 1 239.407 1.624 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000424373577 387996450 /nfs/dbraw/zinc/99/64/50/387996450.db2.gz JTFSDXAQQHUTNC-LOWDOPEQSA-N 2 1 225.380 1.186 20 0 BDADMP CCN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000424373577 387996455 /nfs/dbraw/zinc/99/64/55/387996455.db2.gz JTFSDXAQQHUTNC-LOWDOPEQSA-N 2 1 225.380 1.186 20 0 BDADMP CCCCO[C@H]1C[C@@H]([NH2+]CC[NH2+]C)C1(C)C ZINC000423226880 388011676 /nfs/dbraw/zinc/01/16/76/388011676.db2.gz SQQKOAWZXSYMMZ-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@H]1CCCCN1 ZINC000423238447 388022574 /nfs/dbraw/zinc/02/25/74/388022574.db2.gz AKEWJBHMQKWAEU-JHJVBQTASA-N 2 1 225.380 1.106 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423250868 388034062 /nfs/dbraw/zinc/03/40/62/388034062.db2.gz UVSFKDIZQGBNQT-GHMZBOCLSA-N 2 1 200.326 1.001 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000423253656 388034982 /nfs/dbraw/zinc/03/49/82/388034982.db2.gz ZGUCUVSIMQVVQP-VHDGCEQUSA-N 2 1 247.386 1.759 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000423262611 388040982 /nfs/dbraw/zinc/04/09/82/388040982.db2.gz MWHFHHLMPNSKRA-JHJVBQTASA-N 2 1 228.380 1.765 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423263788 388041703 /nfs/dbraw/zinc/04/17/03/388041703.db2.gz OWUSJFLWINODMN-DMDPSCGWSA-N 2 1 228.380 1.907 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000423273670 388052407 /nfs/dbraw/zinc/05/24/07/388052407.db2.gz LHVAFIGKTQWLKT-ZJUUUORDSA-N 2 1 224.352 1.235 20 0 BDADMP CCOCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000083552468 388055181 /nfs/dbraw/zinc/05/51/81/388055181.db2.gz CIDUXYVDARWAIJ-FUNVUKJBSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423277767 388058297 /nfs/dbraw/zinc/05/82/97/388058297.db2.gz OPQDISZMBOAQHR-REWJHTLYSA-N 2 1 239.407 1.434 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423277767 388058299 /nfs/dbraw/zinc/05/82/99/388058299.db2.gz OPQDISZMBOAQHR-REWJHTLYSA-N 2 1 239.407 1.434 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423285405 388068326 /nfs/dbraw/zinc/06/83/26/388068326.db2.gz ZMTSQMIMEBELPP-IGQOVBAYSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423285405 388068330 /nfs/dbraw/zinc/06/83/30/388068330.db2.gz ZMTSQMIMEBELPP-IGQOVBAYSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423285405 388068335 /nfs/dbraw/zinc/06/83/35/388068335.db2.gz ZMTSQMIMEBELPP-IGQOVBAYSA-N 3 1 239.407 1.304 20 0 BDADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000084105465 388072048 /nfs/dbraw/zinc/07/20/48/388072048.db2.gz BITQYMXXLXTMAY-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000423295216 388077302 /nfs/dbraw/zinc/07/73/02/388077302.db2.gz DQHUNQSRSVYUTI-QJPTWQEYSA-N 2 1 214.353 1.661 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCCOC ZINC000423294807 388077756 /nfs/dbraw/zinc/07/77/56/388077756.db2.gz CUEHBNDGPLAJEP-NEPJUHHUSA-N 2 1 216.369 1.909 20 0 BDADMP CC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336658590 388078045 /nfs/dbraw/zinc/07/80/45/388078045.db2.gz BCMDQGPRQHRLHA-PWSUYJOCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336658590 388078048 /nfs/dbraw/zinc/07/80/48/388078048.db2.gz BCMDQGPRQHRLHA-PWSUYJOCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336658590 388078052 /nfs/dbraw/zinc/07/80/52/388078052.db2.gz BCMDQGPRQHRLHA-PWSUYJOCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336658590 388078055 /nfs/dbraw/zinc/07/80/55/388078055.db2.gz BCMDQGPRQHRLHA-PWSUYJOCSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282306 388085795 /nfs/dbraw/zinc/08/57/95/388085795.db2.gz QRSHHONHWAWLRR-SDDRHHMPSA-N 2 1 217.316 1.294 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282306 388085797 /nfs/dbraw/zinc/08/57/97/388085797.db2.gz QRSHHONHWAWLRR-SDDRHHMPSA-N 2 1 217.316 1.294 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000449243365 388162128 /nfs/dbraw/zinc/16/21/28/388162128.db2.gz KIBXYZBGDMAQSO-KBPBESRZSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000449243365 388162130 /nfs/dbraw/zinc/16/21/30/388162130.db2.gz KIBXYZBGDMAQSO-KBPBESRZSA-N 2 1 240.391 1.611 20 0 BDADMP CCSCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261528037 135153137 /nfs/dbraw/zinc/15/31/37/135153137.db2.gz IZLCRBGKKVFPDG-MNOVXSKESA-N 2 1 216.394 1.799 20 0 BDADMP CCSCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261528037 135153138 /nfs/dbraw/zinc/15/31/38/135153138.db2.gz IZLCRBGKKVFPDG-MNOVXSKESA-N 2 1 216.394 1.799 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488745305 388193037 /nfs/dbraw/zinc/19/30/37/388193037.db2.gz CUMMGRMFUYBPCT-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488745305 388193039 /nfs/dbraw/zinc/19/30/39/388193039.db2.gz CUMMGRMFUYBPCT-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000261528842 135154008 /nfs/dbraw/zinc/15/40/08/135154008.db2.gz OLMISSFAOQYWQC-SNVBAGLBSA-N 2 1 200.326 1.001 20 0 BDADMP Cc1nc(NC[C@H](C)C[NH+](C)C)c(C)c(C)[nH+]1 ZINC000489016939 388201758 /nfs/dbraw/zinc/20/17/58/388201758.db2.gz SGPRSDCGMPXQGH-VIFPVBQESA-N 2 1 236.363 1.433 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@@H]1[NH3+] ZINC000261528608 135154195 /nfs/dbraw/zinc/15/41/95/135154195.db2.gz MQXPNUCEMJRQNO-BBBLOLIVSA-N 2 1 200.351 1.019 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164666089 388242372 /nfs/dbraw/zinc/24/23/72/388242372.db2.gz IUDIVEWDQBUNEU-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC2(CC2)CC1 ZINC000629585542 388283151 /nfs/dbraw/zinc/28/31/51/388283151.db2.gz BLJSMBIZOWYRFA-LBPRGKRZSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@@]1(F)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261528754 135154606 /nfs/dbraw/zinc/15/46/06/135154606.db2.gz VZXFHDHCZSYDRT-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@]1(F)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261528754 135154607 /nfs/dbraw/zinc/15/46/07/135154607.db2.gz VZXFHDHCZSYDRT-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccn1 ZINC000276205587 388347158 /nfs/dbraw/zinc/34/71/58/388347158.db2.gz AAWTUFZTSOBDRB-NSHDSACASA-N 2 1 230.315 1.708 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000163540802 388364425 /nfs/dbraw/zinc/36/44/25/388364425.db2.gz GDFAZGAUGUMLHW-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000164060035 388373857 /nfs/dbraw/zinc/37/38/57/388373857.db2.gz HFMARUPKSYSHEC-MELADBBJSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]([NH2+]CCOC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400761797 388374210 /nfs/dbraw/zinc/37/42/10/388374210.db2.gz YINQMNCXZCTSHS-YPMHNXCESA-N 2 1 226.364 1.676 20 0 BDADMP C[C@@]1(C[N@@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]C1 ZINC000572879543 388383072 /nfs/dbraw/zinc/38/30/72/388383072.db2.gz LWWNYDGQBPSNAC-GXSJLCMTSA-N 2 1 234.290 1.300 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]C1 ZINC000572879543 388383074 /nfs/dbraw/zinc/38/30/74/388383074.db2.gz LWWNYDGQBPSNAC-GXSJLCMTSA-N 2 1 234.290 1.300 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261536008 135170675 /nfs/dbraw/zinc/17/06/75/135170675.db2.gz QAOFVZGCRHBMRG-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP C[NH2+]CCSCCCn1cc[nH+]c1C ZINC000520576828 256675993 /nfs/dbraw/zinc/67/59/93/256675993.db2.gz YQDQSQWLSYFJED-UHFFFAOYSA-N 2 1 213.350 1.534 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000336722195 388469356 /nfs/dbraw/zinc/46/93/56/388469356.db2.gz STUSRHCUKPBNMU-MGPQQGTHSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000336722195 388469358 /nfs/dbraw/zinc/46/93/58/388469358.db2.gz STUSRHCUKPBNMU-MGPQQGTHSA-N 3 1 239.407 1.720 20 0 BDADMP CCc1cc(N[C@H]2CCc3[nH+]ccn3C2)cc[nH+]1 ZINC000649255013 388471201 /nfs/dbraw/zinc/47/12/01/388471201.db2.gz MNQSICFQPHQCAJ-ZDUSSCGKSA-N 2 1 242.326 1.689 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)on1 ZINC000397478435 388472698 /nfs/dbraw/zinc/47/26/98/388472698.db2.gz JNSJCBDYSFGNIW-JLLWLGSASA-N 2 1 237.347 1.788 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)on1 ZINC000397478435 388472699 /nfs/dbraw/zinc/47/26/99/388472699.db2.gz JNSJCBDYSFGNIW-JLLWLGSASA-N 2 1 237.347 1.788 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340467031 388490870 /nfs/dbraw/zinc/49/08/70/388490870.db2.gz NWNVTRXLRWMESY-TUAOUCFPSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000340463453 388491181 /nfs/dbraw/zinc/49/11/81/388491181.db2.gz QMYPWEVSDIGQRO-GARJFASQSA-N 2 1 202.317 1.664 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)[C@H](C)C1 ZINC000178163213 388496456 /nfs/dbraw/zinc/49/64/56/388496456.db2.gz PHDOKFSHFSXMJX-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP c1cn2c(n1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000345346751 388511934 /nfs/dbraw/zinc/51/19/34/388511934.db2.gz KUWMFYICCSMQGD-DGCLKSJQSA-N 2 1 246.358 1.402 20 0 BDADMP c1cn2c(n1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000345346747 388512248 /nfs/dbraw/zinc/51/22/48/388512248.db2.gz KUWMFYICCSMQGD-AAEUAGOBSA-N 2 1 246.358 1.402 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000398035757 388515269 /nfs/dbraw/zinc/51/52/69/388515269.db2.gz PRWMDXZPLHXYHC-CHWSQXEVSA-N 2 1 240.391 1.779 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000516861237 388521190 /nfs/dbraw/zinc/52/11/90/388521190.db2.gz CPCDAJXHDSDBES-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP C/C(Cl)=C/C[N@@H+]1CCn2cncc2C1 ZINC000528508096 388536426 /nfs/dbraw/zinc/53/64/26/388536426.db2.gz LLCZWZMZJVCOJE-MBXJOHMKSA-N 2 1 211.696 1.841 20 0 BDADMP C/C(Cl)=C/C[N@H+]1CCn2cncc2C1 ZINC000528508096 388536428 /nfs/dbraw/zinc/53/64/28/388536428.db2.gz LLCZWZMZJVCOJE-MBXJOHMKSA-N 2 1 211.696 1.841 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OCC1CC1 ZINC000517937498 388599043 /nfs/dbraw/zinc/59/90/43/388599043.db2.gz UXEHLXNSAYBPDH-AWEZNQCLSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000550826392 388615626 /nfs/dbraw/zinc/61/56/26/388615626.db2.gz DQBDBWFJJDFKIT-ZDUSSCGKSA-N 2 1 248.374 1.605 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000550826392 388615628 /nfs/dbraw/zinc/61/56/28/388615628.db2.gz DQBDBWFJJDFKIT-ZDUSSCGKSA-N 2 1 248.374 1.605 20 0 BDADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000362978413 388562794 /nfs/dbraw/zinc/56/27/94/388562794.db2.gz ZYNOOQBEYAABSP-AWEZNQCLSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367615121 388566578 /nfs/dbraw/zinc/56/65/78/388566578.db2.gz JXQJRZLVWVEMIZ-LOWDOPEQSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1CC[C@H](NCc2ccnn2C)[C@@H](C)C1 ZINC000245439328 388580122 /nfs/dbraw/zinc/58/01/22/388580122.db2.gz ZLKFTMQLYDLUSO-AAEUAGOBSA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H](C)C1 ZINC000245439328 388580124 /nfs/dbraw/zinc/58/01/24/388580124.db2.gz ZLKFTMQLYDLUSO-AAEUAGOBSA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H](C)C1 ZINC000245439328 388580126 /nfs/dbraw/zinc/58/01/26/388580126.db2.gz ZLKFTMQLYDLUSO-AAEUAGOBSA-N 2 1 236.363 1.240 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCOC)C1 ZINC000081516129 388580279 /nfs/dbraw/zinc/58/02/79/388580279.db2.gz CZAHYMQJPNJCLS-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000247957834 388672228 /nfs/dbraw/zinc/67/22/28/388672228.db2.gz FVDNQNUPZUIZCM-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@@H](C)C1 ZINC000248035735 388673115 /nfs/dbraw/zinc/67/31/15/388673115.db2.gz RNZNXMYGKCKTEQ-STQMWFEESA-N 3 1 236.363 1.203 20 0 BDADMP CCN1CC[C@H]([NH2+]CCn2ccnc2)[C@@H](C)C1 ZINC000248035735 388673119 /nfs/dbraw/zinc/67/31/19/388673119.db2.gz RNZNXMYGKCKTEQ-STQMWFEESA-N 3 1 236.363 1.203 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261547158 135239906 /nfs/dbraw/zinc/23/99/06/135239906.db2.gz LYIHMQSUQGBYHF-LBPRGKRZSA-N 2 1 214.353 1.330 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC000248418145 388678878 /nfs/dbraw/zinc/67/88/78/388678878.db2.gz KDEOJENJJJVKTD-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)[C@@H](C)C1 ZINC000248443738 388679790 /nfs/dbraw/zinc/67/97/90/388679790.db2.gz BFEYKUZOITUWDF-MEQWQQMJSA-N 2 1 246.420 1.073 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)[C@@H](C)C1 ZINC000248443738 388679791 /nfs/dbraw/zinc/67/97/91/388679791.db2.gz BFEYKUZOITUWDF-MEQWQQMJSA-N 2 1 246.420 1.073 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530178817 388621820 /nfs/dbraw/zinc/62/18/20/388621820.db2.gz OBCCBQVVVNSLAT-XBFCOCLRSA-N 2 1 249.402 1.343 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000328344909 388625736 /nfs/dbraw/zinc/62/57/36/388625736.db2.gz LWIRWLIWONEWIF-AAVRWANBSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1c[nH+]ccc1N ZINC000530208601 388626468 /nfs/dbraw/zinc/62/64/68/388626468.db2.gz FPESEPYPSMZMMB-VXGBXAGGSA-N 2 1 249.358 1.961 20 0 BDADMP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2n1 ZINC000530217125 388629931 /nfs/dbraw/zinc/62/99/31/388629931.db2.gz FWEVMKVSBCNCNM-QWHCGFSZSA-N 2 1 244.342 1.543 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000530220596 388632677 /nfs/dbraw/zinc/63/26/77/388632677.db2.gz BNXSZNWVQFIGPQ-OUJBWJOFSA-N 2 1 247.342 1.265 20 0 BDADMP CC[C@@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCC[NH2+]1 ZINC000530223302 388634442 /nfs/dbraw/zinc/63/44/42/388634442.db2.gz SZPMVRZPUZAAGQ-QBHFIFKDSA-N 2 1 224.348 1.286 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000530223587 388634661 /nfs/dbraw/zinc/63/46/61/388634661.db2.gz TVITYAHYQNZYOK-NWDGAFQWSA-N 2 1 226.364 1.532 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOC2)[C@@H](C)C1 ZINC000223281390 388649709 /nfs/dbraw/zinc/64/97/09/388649709.db2.gz IQCAWIRCGCJZGF-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223423353 388652029 /nfs/dbraw/zinc/65/20/29/388652029.db2.gz RPXNLRUFPYNCMS-FPMFFAJLSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCO1 ZINC000246859367 388654131 /nfs/dbraw/zinc/65/41/31/388654131.db2.gz CXYJSIVPARVUJR-WUHRBBMRSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCO1 ZINC000246859367 388654132 /nfs/dbraw/zinc/65/41/32/388654132.db2.gz CXYJSIVPARVUJR-WUHRBBMRSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247136276 388659506 /nfs/dbraw/zinc/65/95/06/388659506.db2.gz QODLWGQMDAFTSR-IJLUTSLNSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247136276 388659507 /nfs/dbraw/zinc/65/95/07/388659507.db2.gz QODLWGQMDAFTSR-IJLUTSLNSA-N 2 1 214.353 1.220 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC000247252466 388660376 /nfs/dbraw/zinc/66/03/76/388660376.db2.gz ZBFONQGKCCCOEW-WCQYABFASA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC000247252466 388660378 /nfs/dbraw/zinc/66/03/78/388660378.db2.gz ZBFONQGKCCCOEW-WCQYABFASA-N 2 1 236.363 1.240 20 0 BDADMP COC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124324488 388662531 /nfs/dbraw/zinc/66/25/31/388662531.db2.gz JQZQZIQXUXQWTA-FRRDWIJNSA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124324488 388662532 /nfs/dbraw/zinc/66/25/32/388662532.db2.gz JQZQZIQXUXQWTA-FRRDWIJNSA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124324488 388662533 /nfs/dbraw/zinc/66/25/33/388662533.db2.gz JQZQZIQXUXQWTA-FRRDWIJNSA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124324488 388662534 /nfs/dbraw/zinc/66/25/34/388662534.db2.gz JQZQZIQXUXQWTA-FRRDWIJNSA-N 2 1 228.380 1.683 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128132339 388738915 /nfs/dbraw/zinc/73/89/15/388738915.db2.gz QXBIWPIMCXRVQO-UTUOFQBUSA-N 2 1 214.353 1.220 20 0 BDADMP CC[NH+](CC)CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000128184935 388739647 /nfs/dbraw/zinc/73/96/47/388739647.db2.gz MXMFYHINECXIKU-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000126358585 388694911 /nfs/dbraw/zinc/69/49/11/388694911.db2.gz YRNOOQJITLTAFV-WCQYABFASA-N 2 1 249.358 1.663 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000126358585 388694914 /nfs/dbraw/zinc/69/49/14/388694914.db2.gz YRNOOQJITLTAFV-WCQYABFASA-N 2 1 249.358 1.663 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000248890836 388699037 /nfs/dbraw/zinc/69/90/37/388699037.db2.gz AWPGZEXBPZBFHZ-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000248890836 388699038 /nfs/dbraw/zinc/69/90/38/388699038.db2.gz AWPGZEXBPZBFHZ-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])CC(C)C)n1 ZINC000564209928 388717422 /nfs/dbraw/zinc/71/74/22/388717422.db2.gz NMBGWRZDXSJWNG-BDAKNGLRSA-N 2 1 226.324 1.266 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCO2)CC[N@@H+]1C ZINC000249371278 388718132 /nfs/dbraw/zinc/71/81/32/388718132.db2.gz OZSDSONLRTVVLJ-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCO2)CC[N@H+]1C ZINC000249371278 388718134 /nfs/dbraw/zinc/71/81/34/388718134.db2.gz OZSDSONLRTVVLJ-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCCO2)CC[NH+]1C ZINC000249371278 388718137 /nfs/dbraw/zinc/71/81/37/388718137.db2.gz OZSDSONLRTVVLJ-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCCO2)CC[NH+]1C ZINC000249371278 388718138 /nfs/dbraw/zinc/71/81/38/388718138.db2.gz OZSDSONLRTVVLJ-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CSC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000249487510 388724760 /nfs/dbraw/zinc/72/47/60/388724760.db2.gz XKZRZIXKOGZODC-GRYCIOLGSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000249487510 388724761 /nfs/dbraw/zinc/72/47/61/388724761.db2.gz XKZRZIXKOGZODC-GRYCIOLGSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000249487510 388724763 /nfs/dbraw/zinc/72/47/63/388724763.db2.gz XKZRZIXKOGZODC-GRYCIOLGSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249487510 388724764 /nfs/dbraw/zinc/72/47/64/388724764.db2.gz XKZRZIXKOGZODC-GRYCIOLGSA-N 2 1 246.420 1.125 20 0 BDADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253233065 388809860 /nfs/dbraw/zinc/80/98/60/388809860.db2.gz LQGUNSNPUSZUJB-RFGFWPKPSA-N 2 1 238.375 1.506 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000230062685 388811787 /nfs/dbraw/zinc/81/17/87/388811787.db2.gz UXCBOZMQNSOWME-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000252678846 388770517 /nfs/dbraw/zinc/77/05/17/388770517.db2.gz VFMBYQQIMFAFKW-PEBLQZBPSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703208 388771282 /nfs/dbraw/zinc/77/12/82/388771282.db2.gz KQFXAKGHKYXZFF-RWMBFGLXSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000252713148 388773546 /nfs/dbraw/zinc/77/35/46/388773546.db2.gz OLVGMQRJMPQBKO-RKDXNWHRSA-N 2 1 224.270 1.869 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CCCCCC2)C1 ZINC000093215399 388829368 /nfs/dbraw/zinc/82/93/68/388829368.db2.gz XDJQVXFXPYHIKP-KGLIPLIRSA-N 2 1 239.407 1.722 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129460489 388844729 /nfs/dbraw/zinc/84/47/29/388844729.db2.gz VWVQUVDJXWYFRJ-NEPJUHHUSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@H]1C[C@@H](NCCC[NH+](C)C)CC[N@H+]1C ZINC000129553949 388851817 /nfs/dbraw/zinc/85/18/17/388851817.db2.gz XSCJRQGGNYXKLC-RYUDHWBXSA-N 2 1 213.369 1.010 20 0 BDADMP C[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000093978070 388857081 /nfs/dbraw/zinc/85/70/81/388857081.db2.gz AHOYTSCOKMUKDO-YPMHNXCESA-N 2 1 225.380 1.153 20 0 BDADMP Cc1[nH]ncc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566056319 388985694 /nfs/dbraw/zinc/98/56/94/388985694.db2.gz OVPICGCFKXOFJL-QWHCGFSZSA-N 2 1 234.347 1.196 20 0 BDADMP Cc1ncc(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000271791299 389026021 /nfs/dbraw/zinc/02/60/21/389026021.db2.gz GRCKRVKOSTXJHE-UHFFFAOYSA-N 2 1 237.372 1.803 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCCO1 ZINC000257742543 533364431 /nfs/dbraw/zinc/36/44/31/533364431.db2.gz ZDVHIDJLPDZWOM-UONOGXRCSA-N 2 1 238.375 1.631 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCCO1 ZINC000261562798 533364624 /nfs/dbraw/zinc/36/46/24/533364624.db2.gz BOWNCNBGGOLREF-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCCO1 ZINC000261562798 533364627 /nfs/dbraw/zinc/36/46/27/533364627.db2.gz BOWNCNBGGOLREF-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000261596881 533365742 /nfs/dbraw/zinc/36/57/42/533365742.db2.gz ZAWUGJVUASMIOZ-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC2(C1)CCOCC2 ZINC000261562012 533375601 /nfs/dbraw/zinc/37/56/01/533375601.db2.gz VXOBSVIHGCDIPA-CYBMUJFWSA-N 2 1 238.375 1.489 20 0 BDADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400481803 533500653 /nfs/dbraw/zinc/50/06/53/533500653.db2.gz FTBIXFRIICFLOK-DOMZBBRYSA-N 2 1 248.370 1.968 20 0 BDADMP C[NH2+]CC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000053664187 132229883 /nfs/dbraw/zinc/22/98/83/132229883.db2.gz UBPAVVAOWMYKCM-UHFFFAOYSA-N 2 1 219.332 1.826 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000336000010 134044270 /nfs/dbraw/zinc/04/42/70/134044270.db2.gz HCKFAUKJKXSEDM-HUUCEWRRSA-N 2 1 246.354 1.330 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000336000010 134044271 /nfs/dbraw/zinc/04/42/71/134044271.db2.gz HCKFAUKJKXSEDM-HUUCEWRRSA-N 2 1 246.354 1.330 20 0 BDADMP Cn1cccc1[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000336053549 134062850 /nfs/dbraw/zinc/06/28/50/134062850.db2.gz ZYUOCMHNEMOSIS-GFCCVEGCSA-N 2 1 221.348 1.899 20 0 BDADMP Cn1cccc1[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000336053549 134062851 /nfs/dbraw/zinc/06/28/51/134062851.db2.gz ZYUOCMHNEMOSIS-GFCCVEGCSA-N 2 1 221.348 1.899 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000336125039 134092592 /nfs/dbraw/zinc/09/25/92/134092592.db2.gz UMEJSMXQIZZPRN-CQSZACIVSA-N 2 1 249.333 1.748 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC000352203206 134102679 /nfs/dbraw/zinc/10/26/79/134102679.db2.gz PYECPSNHHZGBTR-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000352203206 134102680 /nfs/dbraw/zinc/10/26/80/134102680.db2.gz PYECPSNHHZGBTR-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000352203206 134102681 /nfs/dbraw/zinc/10/26/81/134102681.db2.gz PYECPSNHHZGBTR-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CN(C)c1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336204499 134131484 /nfs/dbraw/zinc/13/14/84/134131484.db2.gz MBWDZDWUJXKZMG-OKILXGFUSA-N 2 1 245.370 1.404 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000168511704 134225272 /nfs/dbraw/zinc/22/52/72/134225272.db2.gz CGBNBFZGKPAGSI-ZYHUDNBSSA-N 2 1 220.316 1.561 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282116 134274880 /nfs/dbraw/zinc/27/48/80/134274880.db2.gz USOUBFKDIALJKA-SYQHCUMBSA-N 2 1 222.376 1.964 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173786803 134277697 /nfs/dbraw/zinc/27/76/97/134277697.db2.gz BBHBRXFIWVQHJE-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220958116 134315242 /nfs/dbraw/zinc/31/52/42/134315242.db2.gz MQCHQAIYIHSWMU-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220958116 134315243 /nfs/dbraw/zinc/31/52/43/134315243.db2.gz MQCHQAIYIHSWMU-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220958116 134315244 /nfs/dbraw/zinc/31/52/44/134315244.db2.gz MQCHQAIYIHSWMU-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000222045553 134329509 /nfs/dbraw/zinc/32/95/09/134329509.db2.gz ZHNXGMCHKZLRFA-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000222045553 134329510 /nfs/dbraw/zinc/32/95/10/134329510.db2.gz ZHNXGMCHKZLRFA-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000222045553 134329511 /nfs/dbraw/zinc/32/95/11/134329511.db2.gz ZHNXGMCHKZLRFA-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000222534848 134332638 /nfs/dbraw/zinc/33/26/38/134332638.db2.gz BFEBXNJHRLCPOD-BFHYXJOUSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C ZINC000181353513 134335591 /nfs/dbraw/zinc/33/55/91/134335591.db2.gz DITXTYVORMTEJH-UHTWSYAYSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000181353513 134335592 /nfs/dbraw/zinc/33/55/92/134335592.db2.gz DITXTYVORMTEJH-UHTWSYAYSA-N 2 1 248.374 1.339 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000224533626 134348669 /nfs/dbraw/zinc/34/86/69/134348669.db2.gz KRLJHKXICCIBRX-CHWSQXEVSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183871902 134356850 /nfs/dbraw/zinc/35/68/50/134356850.db2.gz CTQWRCHOOQOOKN-PSEXLTFBSA-N 2 1 226.364 1.362 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000226321062 134360186 /nfs/dbraw/zinc/36/01/86/134360186.db2.gz PXTQWNFMGFZBJA-CYBMUJFWSA-N 2 1 228.380 1.467 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226702194 134370499 /nfs/dbraw/zinc/37/04/99/134370499.db2.gz ZZWVQIIAXCRITD-SRVKXCTJSA-N 2 1 212.337 1.238 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226702194 134370500 /nfs/dbraw/zinc/37/05/00/134370500.db2.gz ZZWVQIIAXCRITD-SRVKXCTJSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCCC1 ZINC000052337030 134701560 /nfs/dbraw/zinc/70/15/60/134701560.db2.gz JJIVZUIKLOOHGK-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070656619 135005048 /nfs/dbraw/zinc/00/50/48/135005048.db2.gz QANLJWLTTJVSAC-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248409767 135006959 /nfs/dbraw/zinc/00/69/59/135006959.db2.gz CUHKNBTVCKJBTK-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248409767 135006962 /nfs/dbraw/zinc/00/69/62/135006962.db2.gz CUHKNBTVCKJBTK-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1cccnc1 ZINC000013734091 135026308 /nfs/dbraw/zinc/02/63/08/135026308.db2.gz NWYAGNMLQJVHQG-UHFFFAOYSA-N 2 1 221.348 1.903 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000249132926 135035309 /nfs/dbraw/zinc/03/53/09/135035309.db2.gz MEBWZHRODJBBNR-BNDIWNMDSA-N 2 1 240.391 1.464 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000250087512 135049492 /nfs/dbraw/zinc/04/94/92/135049492.db2.gz VYFCIXVTBBAKCF-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250087512 135049493 /nfs/dbraw/zinc/04/94/93/135049493.db2.gz VYFCIXVTBBAKCF-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250087512 135049494 /nfs/dbraw/zinc/04/94/94/135049494.db2.gz VYFCIXVTBBAKCF-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000250786259 135059031 /nfs/dbraw/zinc/05/90/31/135059031.db2.gz WPIKJIZKDZGHRN-FRRDWIJNSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250842331 135059950 /nfs/dbraw/zinc/05/99/50/135059950.db2.gz VMIRXLGNDBKONX-KGLIPLIRSA-N 2 1 248.374 1.408 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250842331 135059953 /nfs/dbraw/zinc/05/99/53/135059953.db2.gz VMIRXLGNDBKONX-KGLIPLIRSA-N 3 1 248.374 1.408 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250842331 135059955 /nfs/dbraw/zinc/05/99/55/135059955.db2.gz VMIRXLGNDBKONX-KGLIPLIRSA-N 3 1 248.374 1.408 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251712796 135075973 /nfs/dbraw/zinc/07/59/73/135075973.db2.gz JNDJICDSFUGCLY-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H]1CCC[C@H]([N@@H+](C)CCOCC[NH3+])C1 ZINC000086435503 135084183 /nfs/dbraw/zinc/08/41/83/135084183.db2.gz PBPHZUXDUMNFRF-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000086435604 135084880 /nfs/dbraw/zinc/08/48/80/135084880.db2.gz DVBDTKYGNLKXDM-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C[C@@H](C)C1 ZINC000252217171 135087719 /nfs/dbraw/zinc/08/77/19/135087719.db2.gz ZMHOVDABDZXLLB-LOWDOPEQSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@H](c1cnccn1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086637506 135091758 /nfs/dbraw/zinc/09/17/58/135091758.db2.gz WUOCCITYXAZFOK-SNVBAGLBSA-N 2 1 222.336 1.454 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637506 135091761 /nfs/dbraw/zinc/09/17/61/135091761.db2.gz WUOCCITYXAZFOK-SNVBAGLBSA-N 2 1 222.336 1.454 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252511889 135092133 /nfs/dbraw/zinc/09/21/33/135092133.db2.gz HSPHTYATIMKAGK-FDYHWXHSSA-N 2 1 228.380 1.323 20 0 BDADMP c1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674819 135095082 /nfs/dbraw/zinc/09/50/82/135095082.db2.gz UIGFHCMSLSHBDP-KGLIPLIRSA-N 2 1 231.343 1.798 20 0 BDADMP c1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674819 135095084 /nfs/dbraw/zinc/09/50/84/135095084.db2.gz UIGFHCMSLSHBDP-KGLIPLIRSA-N 2 1 231.343 1.798 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667470 135095787 /nfs/dbraw/zinc/09/57/87/135095787.db2.gz KCEHPBQMVPUTID-NEPJUHHUSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667470 135095789 /nfs/dbraw/zinc/09/57/89/135095789.db2.gz KCEHPBQMVPUTID-NEPJUHHUSA-N 2 1 234.347 1.137 20 0 BDADMP [NH3+][C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086839740 135097299 /nfs/dbraw/zinc/09/72/99/135097299.db2.gz VRDFBOFDTYMBNI-QMMMGPOBSA-N 2 1 211.696 1.663 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCOC1 ZINC000252709510 135099074 /nfs/dbraw/zinc/09/90/74/135099074.db2.gz DBNRQVQADPTEBZ-DGAVXFQQSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252713192 135100014 /nfs/dbraw/zinc/10/00/14/135100014.db2.gz OOMSTKVRJUOSMP-IJLUTSLNSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886970 135100226 /nfs/dbraw/zinc/10/02/26/135100226.db2.gz BMIQDNYLZYSYMO-QWRGUYRKSA-N 2 1 200.326 1.081 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252741070 135105479 /nfs/dbraw/zinc/10/54/79/135105479.db2.gz KSEZDVZKHZGETA-ZIHBUVQPSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252765509 135108484 /nfs/dbraw/zinc/10/84/84/135108484.db2.gz PMZFIGPENONZJM-NUZBWSBOSA-N 2 1 234.343 1.880 20 0 BDADMP C[C@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252959044 135117987 /nfs/dbraw/zinc/11/79/87/135117987.db2.gz LRUYEFBXEIFNMJ-GJHMDTBVSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@H]1O ZINC000253176300 135123084 /nfs/dbraw/zinc/12/30/84/135123084.db2.gz FZFDCGUSCCKSTC-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@H]1O ZINC000253176300 135123085 /nfs/dbraw/zinc/12/30/85/135123085.db2.gz FZFDCGUSCCKSTC-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@H]1O ZINC000253176300 135123086 /nfs/dbraw/zinc/12/30/86/135123086.db2.gz FZFDCGUSCCKSTC-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200553 135124578 /nfs/dbraw/zinc/12/45/78/135124578.db2.gz XCDVJGXIZSTOCN-GRYCIOLGSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000258769317 135133829 /nfs/dbraw/zinc/13/38/29/135133829.db2.gz AWADEYXLKUBMJU-CYBMUJFWSA-N 2 1 222.332 1.055 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257679183 135139369 /nfs/dbraw/zinc/13/93/69/135139369.db2.gz KPOUPBNYBNNJLX-LBPRGKRZSA-N 2 1 224.348 1.098 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257707136 135139949 /nfs/dbraw/zinc/13/99/49/135139949.db2.gz RNTXQRSDGFZWQC-CQSZACIVSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000257700251 135140142 /nfs/dbraw/zinc/14/01/42/135140142.db2.gz PXXZEZJHGHOKHB-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000257700251 135140143 /nfs/dbraw/zinc/14/01/43/135140143.db2.gz PXXZEZJHGHOKHB-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257713850 135141047 /nfs/dbraw/zinc/14/10/47/135141047.db2.gz UGRRRVTWYZXGQE-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CC[C@@H](C)O)CC1 ZINC000257776795 135141956 /nfs/dbraw/zinc/14/19/56/135141956.db2.gz YUFQRLSRQWSDKS-LLVKDONJSA-N 2 1 214.353 1.220 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527802 135153072 /nfs/dbraw/zinc/15/30/72/135153072.db2.gz HIAGPPAMAFRAHG-NXEZZACHSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527802 135153073 /nfs/dbraw/zinc/15/30/73/135153073.db2.gz HIAGPPAMAFRAHG-NXEZZACHSA-N 2 1 200.351 1.163 20 0 BDADMP C[C@@]1(F)CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261528751 135154475 /nfs/dbraw/zinc/15/44/75/135154475.db2.gz VZXFHDHCZSYDRT-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@]1(F)CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261528751 135154477 /nfs/dbraw/zinc/15/44/77/135154477.db2.gz VZXFHDHCZSYDRT-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC[NH3+] ZINC000261531089 135158700 /nfs/dbraw/zinc/15/87/00/135158700.db2.gz FDNUJEZXVOEUGO-YPMHNXCESA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[NH3+] ZINC000261531089 135158701 /nfs/dbraw/zinc/15/87/01/135158701.db2.gz FDNUJEZXVOEUGO-YPMHNXCESA-N 2 1 204.317 1.823 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]12 ZINC000261531458 135159744 /nfs/dbraw/zinc/15/97/44/135159744.db2.gz GOSNKUFOSOYWGI-SDDRHHMPSA-N 2 1 222.357 1.917 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261532134 135162365 /nfs/dbraw/zinc/16/23/65/135162365.db2.gz JHCGBMNTONWLLS-GRYCIOLGSA-N 2 1 212.337 1.082 20 0 BDADMP CC[C@H]1C[C@H](C)C[N@H+]1CCOCC[NH3+] ZINC000261532132 135162620 /nfs/dbraw/zinc/16/26/20/135162620.db2.gz JGWGEBSUFODTCK-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000261532824 135163151 /nfs/dbraw/zinc/16/31/51/135163151.db2.gz KHWBHFHPOVHIKR-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000261532824 135163153 /nfs/dbraw/zinc/16/31/53/135163153.db2.gz KHWBHFHPOVHIKR-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261533648 135164836 /nfs/dbraw/zinc/16/48/36/135164836.db2.gz JCWFGZBISMHGNK-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261533649 135165042 /nfs/dbraw/zinc/16/50/42/135165042.db2.gz JCWFGZBISMHGNK-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cncs1 ZINC000261534363 135167043 /nfs/dbraw/zinc/16/70/43/135167043.db2.gz MCNNRNDQCPBUNC-JTQLQIEISA-N 2 1 225.361 1.621 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCO[C@H](C)C2)CC[NH2+]1 ZINC000261534563 135167889 /nfs/dbraw/zinc/16/78/89/135167889.db2.gz SDLUWYFBUCDSIH-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)OC[C@H]2C)CC[NH2+]1 ZINC000261535034 135168420 /nfs/dbraw/zinc/16/84/20/135168420.db2.gz VZHXFYDLZVSCJQ-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP CCOC[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000261536007 135170577 /nfs/dbraw/zinc/17/05/77/135170577.db2.gz QAOFVZGCRHBMRG-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000261536007 135170578 /nfs/dbraw/zinc/17/05/78/135170578.db2.gz QAOFVZGCRHBMRG-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP CCOC[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000261536008 135170673 /nfs/dbraw/zinc/17/06/73/135170673.db2.gz QAOFVZGCRHBMRG-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccnc1 ZINC000261535795 135170758 /nfs/dbraw/zinc/17/07/58/135170758.db2.gz PFGQWZLKUCTJPK-LBPRGKRZSA-N 2 1 207.321 1.545 20 0 BDADMP c1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261535697 135170767 /nfs/dbraw/zinc/17/07/67/135170767.db2.gz PBIOFFALZDHCPV-QWRGUYRKSA-N 2 1 222.357 1.789 20 0 BDADMP C[C@H]([N@@H+](C)CCOCC[NH3+])C1(C)CC1 ZINC000261536019 135171592 /nfs/dbraw/zinc/17/15/92/135171592.db2.gz QBXQSUKCCSHATI-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP Cc1noc(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000261538119 135175299 /nfs/dbraw/zinc/17/52/99/135175299.db2.gz DRZMMAOITHPTIG-CYBMUJFWSA-N 2 1 237.347 1.771 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261538045 135175422 /nfs/dbraw/zinc/17/54/22/135175422.db2.gz XGSBIOFQTSSAKU-QWRGUYRKSA-N 2 1 214.353 1.328 20 0 BDADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](C)[NH3+])C1 ZINC000261538541 135176752 /nfs/dbraw/zinc/17/67/52/135176752.db2.gz YMJFVABIZOGHOM-HBNTYKKESA-N 2 1 216.394 1.940 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000261540816 135180402 /nfs/dbraw/zinc/18/04/02/135180402.db2.gz FHHOLLNZXRDQSG-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CCc1cc(NC[C@@H]([NH3+])C2CC2)nc(C)[nH+]1 ZINC000084082442 135182922 /nfs/dbraw/zinc/18/29/22/135182922.db2.gz ZMVRWOJGFCSDFC-LLVKDONJSA-N 2 1 220.320 1.497 20 0 BDADMP C[C@H](NCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261543716 135184677 /nfs/dbraw/zinc/18/46/77/135184677.db2.gz HZMMPLXADWNISX-DZGCQCFKSA-N 2 1 247.386 1.445 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261544127 135185340 /nfs/dbraw/zinc/18/53/40/135185340.db2.gz XAIQCHNTBQJXPS-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000261544744 135186303 /nfs/dbraw/zinc/18/63/03/135186303.db2.gz ZNGNEZAWEMGFMP-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1cnn(CC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000261549018 135187557 /nfs/dbraw/zinc/18/75/57/135187557.db2.gz KDHIASSEWPTDNB-CHWSQXEVSA-N 2 1 236.363 1.251 20 0 BDADMP CCc1nc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc(C)[nH+]1 ZINC000261549567 135188768 /nfs/dbraw/zinc/18/87/68/135188768.db2.gz KQGSVTODLMNYJI-MWLCHTKSSA-N 2 1 234.347 1.521 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000261551598 135190703 /nfs/dbraw/zinc/19/07/03/135190703.db2.gz MIHSMHJSPLWEJH-GUBZILKMSA-N 2 1 236.315 1.802 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084216818 135192860 /nfs/dbraw/zinc/19/28/60/135192860.db2.gz XMNDVUQDLMJNFB-QWRGUYRKSA-N 2 1 222.336 1.027 20 0 BDADMP CCC1(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CCOCC1 ZINC000261553253 135192978 /nfs/dbraw/zinc/19/29/78/135192978.db2.gz NRAOLTIZDGRUQR-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3cccnc3)C[C@@H]12 ZINC000261553891 135193460 /nfs/dbraw/zinc/19/34/60/135193460.db2.gz OKVXLMATTDHKSP-BFHYXJOUSA-N 2 1 231.343 1.293 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]12 ZINC000261558078 135198580 /nfs/dbraw/zinc/19/85/80/135198580.db2.gz SGCLQFMCTRFHNB-MPKXVKKWSA-N 2 1 234.318 1.995 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261560168 135201159 /nfs/dbraw/zinc/20/11/59/135201159.db2.gz UGYPXYMGCCGBDF-MJBXVCDLSA-N 2 1 231.343 1.559 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261560522 135201185 /nfs/dbraw/zinc/20/11/85/135201185.db2.gz UTAQLBJGYTWVCI-FPMFFAJLSA-N 2 1 231.343 1.559 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cc(F)cc(F)c1 ZINC000261561394 135202756 /nfs/dbraw/zinc/20/27/56/135202756.db2.gz VIOBTUCPPRRVFM-UHFFFAOYSA-N 2 1 244.285 1.372 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261562188 135203690 /nfs/dbraw/zinc/20/36/90/135203690.db2.gz WATMDOKBIRQXSW-TZMCWYRMSA-N 2 1 232.327 1.576 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261562188 135203691 /nfs/dbraw/zinc/20/36/91/135203691.db2.gz WATMDOKBIRQXSW-TZMCWYRMSA-N 2 1 232.327 1.576 20 0 BDADMP c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261562723 135203998 /nfs/dbraw/zinc/20/39/98/135203998.db2.gz GOUNZVCATUVSPF-HIFRSBDPSA-N 2 1 246.354 1.749 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261562723 135204000 /nfs/dbraw/zinc/20/40/00/135204000.db2.gz GOUNZVCATUVSPF-HIFRSBDPSA-N 2 1 246.354 1.749 20 0 BDADMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261564282 135206288 /nfs/dbraw/zinc/20/62/88/135206288.db2.gz HDYDETJVXIPETM-CFVMTHIKSA-N 2 1 246.354 1.864 20 0 BDADMP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc(C)[nH+]1 ZINC000261564617 135206930 /nfs/dbraw/zinc/20/69/30/135206930.db2.gz XTVYCSGQBVBVRA-SDDRHHMPSA-N 2 1 232.331 1.267 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(O)c3)C[C@H]12 ZINC000261567425 135209469 /nfs/dbraw/zinc/20/94/69/135209469.db2.gz ZTJURKDUHLUGKG-FPMFFAJLSA-N 2 1 232.327 1.561 20 0 BDADMP C[C@H]1CCC[C@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000261568391 135210516 /nfs/dbraw/zinc/21/05/16/135210516.db2.gz FNDRXXVXESOJGU-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1cccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH+]1 ZINC000261569511 135211159 /nfs/dbraw/zinc/21/11/59/135211159.db2.gz GIQGLBSFKMYXQX-RYUDHWBXSA-N 2 1 217.316 1.578 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261572474 135215109 /nfs/dbraw/zinc/21/51/09/135215109.db2.gz LPYYRDMJHNXDSQ-KGLIPLIRSA-N 2 1 246.354 1.737 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261572474 135215110 /nfs/dbraw/zinc/21/51/10/135215110.db2.gz LPYYRDMJHNXDSQ-KGLIPLIRSA-N 2 1 246.354 1.737 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000261576613 135217623 /nfs/dbraw/zinc/21/76/23/135217623.db2.gz KLCYIMPEJNDKFH-GWCFXTLKSA-N 2 1 219.332 1.478 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261577016 135218598 /nfs/dbraw/zinc/21/85/98/135218598.db2.gz KTLDHNDAWQYRBC-NWDGAFQWSA-N 2 1 217.316 1.578 20 0 BDADMP Cn1cc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000261583402 135223918 /nfs/dbraw/zinc/22/39/18/135223918.db2.gz RRUWPGLOOKLMPY-KBPBESRZSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1cc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000261583402 135223919 /nfs/dbraw/zinc/22/39/19/135223919.db2.gz RRUWPGLOOKLMPY-KBPBESRZSA-N 2 1 248.374 1.557 20 0 BDADMP Cc1cccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC000261587276 135228156 /nfs/dbraw/zinc/22/81/56/135228156.db2.gz RQFQDYVGXWAGFZ-QJPTWQEYSA-N 2 1 217.316 1.564 20 0 BDADMP Fc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261545930 135237521 /nfs/dbraw/zinc/23/75/21/135237521.db2.gz GKBVEKFFQSZRHF-OLZOCXBDSA-N 2 1 234.318 1.867 20 0 BDADMP Fc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261545930 135237523 /nfs/dbraw/zinc/23/75/23/135237523.db2.gz GKBVEKFFQSZRHF-OLZOCXBDSA-N 2 1 234.318 1.867 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261547002 135239204 /nfs/dbraw/zinc/23/92/04/135239204.db2.gz HQMYNTOTQNIQTD-STQMWFEESA-N 2 1 231.343 1.574 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261547002 135239206 /nfs/dbraw/zinc/23/92/06/135239206.db2.gz HQMYNTOTQNIQTD-STQMWFEESA-N 2 1 231.343 1.574 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261547157 135240486 /nfs/dbraw/zinc/24/04/86/135240486.db2.gz LYIHMQSUQGBYHF-GFCCVEGCSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@@H](C)C[N@H+]1C ZINC000261654259 135243014 /nfs/dbraw/zinc/24/30/14/135243014.db2.gz BGTBJKWNSHSIJM-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261684111 135245959 /nfs/dbraw/zinc/24/59/59/135245959.db2.gz AFCQOLYDOUUFKG-KBPBESRZSA-N 2 1 240.391 1.471 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]12 ZINC000261751480 135250071 /nfs/dbraw/zinc/25/00/71/135250071.db2.gz CFEMUPDTNBXWJN-FVCCEPFGSA-N 2 1 224.348 1.082 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000261759353 135250875 /nfs/dbraw/zinc/25/08/75/135250875.db2.gz MHOUGEHWPNWNGU-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000261759353 135250877 /nfs/dbraw/zinc/25/08/77/135250877.db2.gz MHOUGEHWPNWNGU-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261775991 135252010 /nfs/dbraw/zinc/25/20/10/135252010.db2.gz FBKRDWNHVOSYDJ-UONOGXRCSA-N 3 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261775991 135252011 /nfs/dbraw/zinc/25/20/11/135252011.db2.gz FBKRDWNHVOSYDJ-UONOGXRCSA-N 3 1 239.407 1.402 20 0 BDADMP CCC[C@@]1(CO)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261811345 135254373 /nfs/dbraw/zinc/25/43/73/135254373.db2.gz HRIHHOKRPPIRET-KGLIPLIRSA-N 2 1 240.391 1.613 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261825207 135255812 /nfs/dbraw/zinc/25/58/12/135255812.db2.gz IPVDXDZERZZACS-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000261852146 135256948 /nfs/dbraw/zinc/25/69/48/135256948.db2.gz OVGGQTFKQMHTQX-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@]1(C[N@H+]2CCOCC3(CCC3)C2)CC[NH2+]C1 ZINC000261889467 135260009 /nfs/dbraw/zinc/26/00/09/135260009.db2.gz SPRCYDNVPOAROU-CYBMUJFWSA-N 2 1 238.375 1.489 20 0 BDADMP CCCN(C)Cc1nc(C2(N)CCC2)no1 ZINC000261880790 135260103 /nfs/dbraw/zinc/26/01/03/135260103.db2.gz WICHZYVTSPEOTJ-UHFFFAOYSA-N 2 1 224.308 1.249 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261924068 135263872 /nfs/dbraw/zinc/26/38/72/135263872.db2.gz KUTPJNPWLQDBKU-AVGNSLFASA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261933388 135264028 /nfs/dbraw/zinc/26/40/28/135264028.db2.gz LUTBEAOXIUMUMC-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261970200 135267976 /nfs/dbraw/zinc/26/79/76/135267976.db2.gz QGHKHBFPSHSYNK-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@H](C)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000261975263 135268646 /nfs/dbraw/zinc/26/86/46/135268646.db2.gz IQXHNQIBHBGQPG-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CO[C@@H](C)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000261975268 135269154 /nfs/dbraw/zinc/26/91/54/135269154.db2.gz IQXHNQIBHBGQPG-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP COCC(C)(C)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262005045 135271729 /nfs/dbraw/zinc/27/17/29/135271729.db2.gz UMALFYGMKNYJFM-GFCCVEGCSA-N 2 1 228.380 1.720 20 0 BDADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000262016259 135273370 /nfs/dbraw/zinc/27/33/70/135273370.db2.gz VSAQYXUCJUVCJD-LBPRGKRZSA-N 2 1 236.363 1.553 20 0 BDADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000262016259 135273372 /nfs/dbraw/zinc/27/33/72/135273372.db2.gz VSAQYXUCJUVCJD-LBPRGKRZSA-N 2 1 236.363 1.553 20 0 BDADMP CCC[N@@H+](CC[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000262034459 135274464 /nfs/dbraw/zinc/27/44/64/135274464.db2.gz XPDUGSUPXMLPLM-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCOC1 ZINC000262071219 135277034 /nfs/dbraw/zinc/27/70/34/135277034.db2.gz SBYIHKMVBXOGEV-CYBMUJFWSA-N 2 1 238.375 1.489 20 0 BDADMP CC(C)(C)[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000262103333 135278438 /nfs/dbraw/zinc/27/84/38/135278438.db2.gz VTISRPHXWDVRPG-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000262103333 135278440 /nfs/dbraw/zinc/27/84/40/135278440.db2.gz VTISRPHXWDVRPG-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262100132 135278478 /nfs/dbraw/zinc/27/84/78/135278478.db2.gz VMROVTRTOHFYGP-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262100135 135278637 /nfs/dbraw/zinc/27/86/37/135278637.db2.gz VMROVTRTOHFYGP-YNEHKIRRSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[C@@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262101967 135278778 /nfs/dbraw/zinc/27/87/78/135278778.db2.gz VRMBFPAKVNGTPW-LLVKDONJSA-N 2 1 246.314 1.851 20 0 BDADMP Cn1cc([C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)cn1 ZINC000262103505 135279103 /nfs/dbraw/zinc/27/91/03/135279103.db2.gz VTZBFOCCVLKTMC-OCCSQVGLSA-N 2 1 248.374 1.209 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262129491 135280518 /nfs/dbraw/zinc/28/05/18/135280518.db2.gz NTRIIWMJRVOCAS-UWVGGRQHSA-N 2 1 236.306 1.327 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)CC[C@@H]1CCC[NH+]1C ZINC000342607391 135302491 /nfs/dbraw/zinc/30/24/91/135302491.db2.gz RWAMHLBMILFIKC-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCO1)CC[C@@H]1CCC[N@@H+]1C ZINC000342607391 135302493 /nfs/dbraw/zinc/30/24/93/135302493.db2.gz RWAMHLBMILFIKC-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCO1)CC[C@@H]1CCC[N@H+]1C ZINC000342607391 135302495 /nfs/dbraw/zinc/30/24/95/135302495.db2.gz RWAMHLBMILFIKC-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000334312617 135351560 /nfs/dbraw/zinc/35/15/60/135351560.db2.gz UIXQGXRCJYQWLU-GZMMTYOYSA-N 2 1 222.336 1.196 20 0 BDADMP C[C@@H]1COCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000334370663 135375528 /nfs/dbraw/zinc/37/55/28/135375528.db2.gz PANMSGXEJFWNRP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1COCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000334370663 135375530 /nfs/dbraw/zinc/37/55/30/135375530.db2.gz PANMSGXEJFWNRP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1COCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000334370663 135375531 /nfs/dbraw/zinc/37/55/31/135375531.db2.gz PANMSGXEJFWNRP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP Clc1c[nH+]ccc1NC[C@@H]1CC[NH2+]C1 ZINC000087655299 135510752 /nfs/dbraw/zinc/51/07/52/135510752.db2.gz DDWVGDBGSWYIGI-MRVPVSSYSA-N 2 1 211.696 1.756 20 0 BDADMP CCc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000347007029 135990144 /nfs/dbraw/zinc/99/01/44/135990144.db2.gz DDVKSPANCKITPE-JTQLQIEISA-N 2 1 239.388 1.876 20 0 BDADMP CCc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000347007029 135990145 /nfs/dbraw/zinc/99/01/45/135990145.db2.gz DDVKSPANCKITPE-JTQLQIEISA-N 2 1 239.388 1.876 20 0 BDADMP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)no1 ZINC000335296324 136006394 /nfs/dbraw/zinc/00/63/94/136006394.db2.gz MQOKZFBCFZNFLY-ZDUSSCGKSA-N 2 1 235.331 1.639 20 0 BDADMP Cc1csc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)n1 ZINC000335306160 136022002 /nfs/dbraw/zinc/02/20/02/136022002.db2.gz HPYUANOPHWOCHM-SECBINFHSA-N 2 1 248.355 1.822 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000348185648 136044278 /nfs/dbraw/zinc/04/42/78/136044278.db2.gz QGSOOUUZVCNUDB-VPOLOUISSA-N 2 1 232.318 1.960 20 0 BDADMP FC(F)[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348215892 136046253 /nfs/dbraw/zinc/04/62/53/136046253.db2.gz BUTLZFDGGLYDDM-YTWAJWBKSA-N 2 1 230.302 1.856 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000335344411 136065709 /nfs/dbraw/zinc/06/57/09/136065709.db2.gz HWXMWCFUSPZYLT-OLZOCXBDSA-N 2 1 249.358 1.636 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cnn(C)c1 ZINC000348309977 136066561 /nfs/dbraw/zinc/06/65/61/136066561.db2.gz QCPRBFDVCWPJKZ-WCQYABFASA-N 2 1 236.363 1.555 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cnn(C)c1 ZINC000348309977 136066562 /nfs/dbraw/zinc/06/65/62/136066562.db2.gz QCPRBFDVCWPJKZ-WCQYABFASA-N 2 1 236.363 1.555 20 0 BDADMP CC(C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335394291 136091788 /nfs/dbraw/zinc/09/17/88/136091788.db2.gz GTAOYFJGFKCWQM-LLVKDONJSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC2)CC12CCOCC2 ZINC000335394923 136092173 /nfs/dbraw/zinc/09/21/73/136092173.db2.gz HEBFPDXLJHISDM-CYBMUJFWSA-N 2 1 238.375 1.474 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH3+])[C@H](C)C2 ZINC000335564594 136107282 /nfs/dbraw/zinc/10/72/82/136107282.db2.gz LAYZAJOQQCSVHR-MFKMUULPSA-N 2 1 204.317 1.777 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCCO3)C2)C1 ZINC000335569725 136108536 /nfs/dbraw/zinc/10/85/36/136108536.db2.gz CENMHZXNWDTHGA-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCCCO3)C2)C1 ZINC000335569725 136108537 /nfs/dbraw/zinc/10/85/37/136108537.db2.gz CENMHZXNWDTHGA-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCCCO3)C2)C1 ZINC000335569725 136108538 /nfs/dbraw/zinc/10/85/38/136108538.db2.gz CENMHZXNWDTHGA-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000367048035 136113217 /nfs/dbraw/zinc/11/32/17/136113217.db2.gz PWBBXFPYRDWJTP-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367048035 136113218 /nfs/dbraw/zinc/11/32/18/136113218.db2.gz PWBBXFPYRDWJTP-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367048035 136113219 /nfs/dbraw/zinc/11/32/19/136113219.db2.gz PWBBXFPYRDWJTP-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000367048035 136113220 /nfs/dbraw/zinc/11/32/20/136113220.db2.gz PWBBXFPYRDWJTP-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367048035 136113221 /nfs/dbraw/zinc/11/32/21/136113221.db2.gz PWBBXFPYRDWJTP-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP c1cc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647514037 397771712 /nfs/dbraw/zinc/77/17/12/397771712.db2.gz AYZWPHMQMHBVCX-QWHCGFSZSA-N 2 1 248.374 1.589 20 0 BDADMP C[N@@H+](CCCn1ccnc1)CCn1ccnc1 ZINC000162300944 397777232 /nfs/dbraw/zinc/77/72/32/397777232.db2.gz TYIFVGSORYWUFD-UHFFFAOYSA-N 2 1 233.319 1.102 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000162304936 397778352 /nfs/dbraw/zinc/77/83/52/397778352.db2.gz WWAVGCQPHZEXHV-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP CC(C)C[C@@H](C)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000300907531 397784450 /nfs/dbraw/zinc/78/44/50/397784450.db2.gz LMVIJQWTRQMBKK-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)C[C@@H](C)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000300907531 397784455 /nfs/dbraw/zinc/78/44/55/397784455.db2.gz LMVIJQWTRQMBKK-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000390756814 397900798 /nfs/dbraw/zinc/90/07/98/397900798.db2.gz IIYBACMEANFYOM-NEPJUHHUSA-N 2 1 228.405 1.669 20 0 BDADMP CCCN1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414829582 398050233 /nfs/dbraw/zinc/05/02/33/398050233.db2.gz LBVVHNGQGNSVAV-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)CC[C@H]1C ZINC000414690015 398019591 /nfs/dbraw/zinc/01/95/91/398019591.db2.gz HFLVHVMSLWPQMG-CHWSQXEVSA-N 2 1 227.396 1.386 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC000163666932 398030332 /nfs/dbraw/zinc/03/03/32/398030332.db2.gz OSOIDHQLOYPUCS-QNWHQSFQSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781801 398037483 /nfs/dbraw/zinc/03/74/83/398037483.db2.gz DDCLLQBOIBXZNG-RFQIPJPRSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781801 398037489 /nfs/dbraw/zinc/03/74/89/398037489.db2.gz DDCLLQBOIBXZNG-RFQIPJPRSA-N 3 1 237.391 1.058 20 0 BDADMP CCC[C@H](C)[C@@H](CO)[NH2+]CCc1c[nH+]cn1C ZINC000649691641 398038312 /nfs/dbraw/zinc/03/83/12/398038312.db2.gz LXHGSNZOWPBORW-WCQYABFASA-N 2 1 239.363 1.349 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000382764333 397972604 /nfs/dbraw/zinc/97/26/04/397972604.db2.gz SHVOXUGOPMZQPF-GXFFZTMASA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000382764333 397972605 /nfs/dbraw/zinc/97/26/05/397972605.db2.gz SHVOXUGOPMZQPF-GXFFZTMASA-N 2 1 238.331 1.595 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000650190198 397972647 /nfs/dbraw/zinc/97/26/47/397972647.db2.gz CCNAUIGWLYTQNQ-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000650190198 397972649 /nfs/dbraw/zinc/97/26/49/397972649.db2.gz CCNAUIGWLYTQNQ-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414853936 398061047 /nfs/dbraw/zinc/06/10/47/398061047.db2.gz LNCOVSVLUGYGAB-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000383958574 398054095 /nfs/dbraw/zinc/05/40/95/398054095.db2.gz HKVQBAJVXSWSRJ-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000061935413 398108779 /nfs/dbraw/zinc/10/87/79/398108779.db2.gz OIRVZLOZVRDCJW-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1(C2CCC2)CC1 ZINC000649811659 398119857 /nfs/dbraw/zinc/11/98/57/398119857.db2.gz ZPNKCHMHVOQLFS-UHFFFAOYSA-N 2 1 219.332 1.885 20 0 BDADMP COCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336643520 174275201 /nfs/dbraw/zinc/27/52/01/174275201.db2.gz CSKHRRRHGGYTJO-UHFFFAOYSA-N 2 1 214.353 1.437 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000258903260 322878211 /nfs/dbraw/zinc/87/82/11/322878211.db2.gz HSXMCRORCBHEJK-VXGBXAGGSA-N 2 1 238.306 1.804 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000680338566 487568218 /nfs/dbraw/zinc/56/82/18/487568218.db2.gz FFJYTEUNAGOQCI-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H](C)[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000308881283 487572551 /nfs/dbraw/zinc/57/25/51/487572551.db2.gz VPNOZTALGATVJG-VXGBXAGGSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000308881283 487572554 /nfs/dbraw/zinc/57/25/54/487572554.db2.gz VPNOZTALGATVJG-VXGBXAGGSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000308881283 487572558 /nfs/dbraw/zinc/57/25/58/487572558.db2.gz VPNOZTALGATVJG-VXGBXAGGSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000308881283 487572563 /nfs/dbraw/zinc/57/25/63/487572563.db2.gz VPNOZTALGATVJG-VXGBXAGGSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@H](C)[N@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402045 487575816 /nfs/dbraw/zinc/57/58/16/487575816.db2.gz AVKCQTWSWAHQPI-VIFPVBQESA-N 2 1 240.351 1.884 20 0 BDADMP CC[C@H](C)[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402045 487575818 /nfs/dbraw/zinc/57/58/18/487575818.db2.gz AVKCQTWSWAHQPI-VIFPVBQESA-N 2 1 240.351 1.884 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000336755199 167215540 /nfs/dbraw/zinc/21/55/40/167215540.db2.gz XOEAUCIAGXASMI-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000393734081 487578532 /nfs/dbraw/zinc/57/85/32/487578532.db2.gz ADGDNNDJXJZZFX-FRRDWIJNSA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000393734081 487578539 /nfs/dbraw/zinc/57/85/39/487578539.db2.gz ADGDNNDJXJZZFX-FRRDWIJNSA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000393734081 487578543 /nfs/dbraw/zinc/57/85/43/487578543.db2.gz ADGDNNDJXJZZFX-FRRDWIJNSA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626555 167232570 /nfs/dbraw/zinc/23/25/70/167232570.db2.gz JLEPMYLZPDISAQ-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP CC[C@H](C)[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000037482574 487585638 /nfs/dbraw/zinc/58/56/38/487585638.db2.gz JHCMTHHETPBJDS-LBPRGKRZSA-N 2 1 213.369 1.012 20 0 BDADMP CO[C@@H](C[N@@H+]1CCCC[C@H]1C[NH3+])C1CCC1 ZINC000662242384 409531939 /nfs/dbraw/zinc/53/19/39/409531939.db2.gz DHTVNINJVFSMND-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@@H](C[N@H+]1CCCC[C@H]1C[NH3+])C1CCC1 ZINC000662242384 409531941 /nfs/dbraw/zinc/53/19/41/409531941.db2.gz DHTVNINJVFSMND-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP CCC[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249535 409548252 /nfs/dbraw/zinc/54/82/52/409548252.db2.gz WLDCPLZGJNNMKZ-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255577 409551969 /nfs/dbraw/zinc/55/19/69/409551969.db2.gz FCNKCJWNJKJXFH-UTUOFQBUSA-N 2 1 224.348 1.238 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H](CCF)C1 ZINC000662311294 409635072 /nfs/dbraw/zinc/63/50/72/409635072.db2.gz RPLYFUBZLRIYNK-LLVKDONJSA-N 2 1 218.316 1.033 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662273187 409581388 /nfs/dbraw/zinc/58/13/88/409581388.db2.gz MKUHWSDEEAQJRN-NXEZZACHSA-N 2 1 234.290 1.081 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662273187 409581396 /nfs/dbraw/zinc/58/13/96/409581396.db2.gz MKUHWSDEEAQJRN-NXEZZACHSA-N 2 1 234.290 1.081 20 0 BDADMP C[N@@H+](CC[C@H]1CCc2ccccc21)C[C@H](O)C[NH3+] ZINC000662276528 409588776 /nfs/dbraw/zinc/58/87/76/409588776.db2.gz JTKPAWSVUGXLLS-ZIAGYGMSSA-N 2 1 248.370 1.358 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662280792 409599953 /nfs/dbraw/zinc/59/99/53/409599953.db2.gz FVMJKPJWSHTHEC-ONGXEEELSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662280792 409599960 /nfs/dbraw/zinc/59/99/60/409599960.db2.gz FVMJKPJWSHTHEC-ONGXEEELSA-N 2 1 223.320 1.400 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000309018453 410196473 /nfs/dbraw/zinc/19/64/73/410196473.db2.gz SCIREEXXSBUPKF-NEPJUHHUSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C1 ZINC000309018453 410196476 /nfs/dbraw/zinc/19/64/76/410196476.db2.gz SCIREEXXSBUPKF-NEPJUHHUSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C1 ZINC000309018453 410196485 /nfs/dbraw/zinc/19/64/85/410196485.db2.gz SCIREEXXSBUPKF-NEPJUHHUSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C1 ZINC000309018456 410198028 /nfs/dbraw/zinc/19/80/28/410198028.db2.gz SCIREEXXSBUPKF-VXGBXAGGSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C1 ZINC000309018456 410198033 /nfs/dbraw/zinc/19/80/33/410198033.db2.gz SCIREEXXSBUPKF-VXGBXAGGSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C1 ZINC000309018456 410198038 /nfs/dbraw/zinc/19/80/38/410198038.db2.gz SCIREEXXSBUPKF-VXGBXAGGSA-N 2 1 214.353 1.029 20 0 BDADMP CCCC[C@H](COC)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663500970 410277948 /nfs/dbraw/zinc/27/79/48/410277948.db2.gz QRIYPCAJWPIEHH-OTTFEQOBSA-N 2 1 226.364 1.533 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000663512603 410283043 /nfs/dbraw/zinc/28/30/43/410283043.db2.gz GMLFTXGYZYEPMN-RISCZKNCSA-N 2 1 248.370 1.750 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000650706315 410337961 /nfs/dbraw/zinc/33/79/61/410337961.db2.gz IPZKWXJLCSRWPA-MCIONIFRSA-N 2 1 238.375 1.615 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000650714316 410348743 /nfs/dbraw/zinc/34/87/43/410348743.db2.gz YMUXLSHHABIKBK-QWHCGFSZSA-N 3 1 239.407 1.435 20 0 BDADMP CCN1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000650714316 410348747 /nfs/dbraw/zinc/34/87/47/410348747.db2.gz YMUXLSHHABIKBK-QWHCGFSZSA-N 2 1 239.407 1.435 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000650719502 410358362 /nfs/dbraw/zinc/35/83/62/410358362.db2.gz RZVCQLNFPOGRIZ-UHFFFAOYSA-N 3 1 247.386 1.590 20 0 BDADMP C[NH2+]Cc1ccccc1CNC1CC[NH+](C)CC1 ZINC000650719502 410358365 /nfs/dbraw/zinc/35/83/65/410358365.db2.gz RZVCQLNFPOGRIZ-UHFFFAOYSA-N 2 1 247.386 1.590 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000650740401 410372617 /nfs/dbraw/zinc/37/26/17/410372617.db2.gz LYGSEUUCFMZAIO-KBPBESRZSA-N 2 1 241.423 1.552 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000650740774 410374910 /nfs/dbraw/zinc/37/49/10/410374910.db2.gz QRJQBXMFJHUZMY-QWHCGFSZSA-N 2 1 227.396 1.434 20 0 BDADMP C[NH2+]Cc1ccccc1CN[C@@H](C)C1C[NH2+]C1 ZINC000650756095 410402972 /nfs/dbraw/zinc/40/29/72/410402972.db2.gz UNHQWQVPSUKQJH-NSHDSACASA-N 2 1 233.359 1.104 20 0 BDADMP CCCC[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309235224 410538154 /nfs/dbraw/zinc/53/81/54/410538154.db2.gz JJLLMNPQWJKLJA-ZDUSSCGKSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309235224 410538160 /nfs/dbraw/zinc/53/81/60/410538160.db2.gz JJLLMNPQWJKLJA-ZDUSSCGKSA-N 2 1 230.396 1.810 20 0 BDADMP CC[C@@]1([NH2+]CCCc2c[nH+]cn2C)CCOC1 ZINC000314692928 410705918 /nfs/dbraw/zinc/70/59/18/410705918.db2.gz LEJFITKSVUPSLB-CYBMUJFWSA-N 2 1 237.347 1.511 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1nccn1C ZINC000665282706 410759775 /nfs/dbraw/zinc/75/97/75/410759775.db2.gz AARKCQTYGHYNLT-GARJFASQSA-N 2 1 222.336 1.198 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000653299345 410817107 /nfs/dbraw/zinc/81/71/07/410817107.db2.gz PSAKQDUBHNWCGT-TZMCWYRMSA-N 3 1 239.407 1.578 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH2+]C)C12CCCC2 ZINC000665296005 410803369 /nfs/dbraw/zinc/80/33/69/410803369.db2.gz LNBUEMIQRBCSRF-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2C)CCO1 ZINC000394864321 410828528 /nfs/dbraw/zinc/82/85/28/410828528.db2.gz SHWJVGZJJSMFOZ-FQUUOJAGSA-N 2 1 240.391 1.861 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000309195220 410877195 /nfs/dbraw/zinc/87/71/95/410877195.db2.gz AHLIJIMWHQHCPL-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000309195220 410877201 /nfs/dbraw/zinc/87/72/01/410877201.db2.gz AHLIJIMWHQHCPL-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000036950503 167113805 /nfs/dbraw/zinc/11/38/05/167113805.db2.gz HGKOSHFMJCERKV-AWEZNQCLSA-N 2 1 236.359 1.477 20 0 BDADMP CC(C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000036950503 167113807 /nfs/dbraw/zinc/11/38/07/167113807.db2.gz HGKOSHFMJCERKV-AWEZNQCLSA-N 2 1 236.359 1.477 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367422442 167215189 /nfs/dbraw/zinc/21/51/89/167215189.db2.gz GKZQOVWTDSVGFJ-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367422442 167215191 /nfs/dbraw/zinc/21/51/91/167215191.db2.gz GKZQOVWTDSVGFJ-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000367422442 167215194 /nfs/dbraw/zinc/21/51/94/167215194.db2.gz GKZQOVWTDSVGFJ-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367422442 167215197 /nfs/dbraw/zinc/21/51/97/167215197.db2.gz GKZQOVWTDSVGFJ-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368318922 167215710 /nfs/dbraw/zinc/21/57/10/167215710.db2.gz UTVGBWLMBWXIMY-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368318922 167215712 /nfs/dbraw/zinc/21/57/12/167215712.db2.gz UTVGBWLMBWXIMY-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368318922 167215713 /nfs/dbraw/zinc/21/57/13/167215713.db2.gz UTVGBWLMBWXIMY-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049259812 167232208 /nfs/dbraw/zinc/23/22/08/167232208.db2.gz GBFSSSDUCVTQMJ-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049260901 167232835 /nfs/dbraw/zinc/23/28/35/167232835.db2.gz PBVWASQNAFCTCM-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)OC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000336772268 167263544 /nfs/dbraw/zinc/26/35/44/167263544.db2.gz XZJUPVMSGCESIB-NSHDSACASA-N 2 1 214.353 1.484 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCCCO ZINC000398505153 410970709 /nfs/dbraw/zinc/97/07/09/410970709.db2.gz BFAAQZROBZZPQV-NWDGAFQWSA-N 2 1 216.369 1.645 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000394610397 411073297 /nfs/dbraw/zinc/07/32/97/411073297.db2.gz SACIENMBYXKFGJ-SNVBAGLBSA-N 2 1 224.304 1.207 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000394610397 411073303 /nfs/dbraw/zinc/07/33/03/411073303.db2.gz SACIENMBYXKFGJ-SNVBAGLBSA-N 2 1 224.304 1.207 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000300949720 411128277 /nfs/dbraw/zinc/12/82/77/411128277.db2.gz HAFPOXRONASUNT-NEPJUHHUSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000651865784 411147991 /nfs/dbraw/zinc/14/79/91/411147991.db2.gz HMZWRVZMIUVIKS-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000651865782 411148194 /nfs/dbraw/zinc/14/81/94/411148194.db2.gz HMZWRVZMIUVIKS-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049712767 411243365 /nfs/dbraw/zinc/24/33/65/411243365.db2.gz SFBFZVGBKOIOMW-MDZLAQPJSA-N 2 1 219.332 1.812 20 0 BDADMP Cc1noc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000656194603 411201710 /nfs/dbraw/zinc/20/17/10/411201710.db2.gz MJTDWAXZUKRKBE-ONGXEEELSA-N 2 1 238.335 1.198 20 0 BDADMP Cc1noc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000656194603 411201712 /nfs/dbraw/zinc/20/17/12/411201712.db2.gz MJTDWAXZUKRKBE-ONGXEEELSA-N 2 1 238.335 1.198 20 0 BDADMP Cc1noc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000656194602 411202075 /nfs/dbraw/zinc/20/20/75/411202075.db2.gz MJTDWAXZUKRKBE-MWLCHTKSSA-N 2 1 238.335 1.198 20 0 BDADMP Cc1noc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000656194602 411202076 /nfs/dbraw/zinc/20/20/76/411202076.db2.gz MJTDWAXZUKRKBE-MWLCHTKSSA-N 2 1 238.335 1.198 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199990 411204151 /nfs/dbraw/zinc/20/41/51/411204151.db2.gz DGXQJFGLJWBXIW-ZIAGYGMSSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199990 411204154 /nfs/dbraw/zinc/20/41/54/411204154.db2.gz DGXQJFGLJWBXIW-ZIAGYGMSSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199990 411204156 /nfs/dbraw/zinc/20/41/56/411204156.db2.gz DGXQJFGLJWBXIW-ZIAGYGMSSA-N 3 1 241.423 1.824 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)COC2)[C@@H](C)C1 ZINC000223540189 411208181 /nfs/dbraw/zinc/20/81/81/411208181.db2.gz AWDSUEGGDNNFMY-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345921 411209192 /nfs/dbraw/zinc/20/91/92/411209192.db2.gz PAWPMZGNWWPIAA-RWMBFGLXSA-N 2 1 226.364 1.613 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000656211438 411210882 /nfs/dbraw/zinc/21/08/82/411210882.db2.gz CVSQJQMQLNHIPL-AOOOYVTPSA-N 2 1 245.330 1.710 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)[C@@H]1CC[NH3+] ZINC000652355989 411215162 /nfs/dbraw/zinc/21/51/62/411215162.db2.gz ORGBXZSNNQZVMK-DGCLKSJQSA-N 2 1 248.374 1.443 20 0 BDADMP CCCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000077339237 411217750 /nfs/dbraw/zinc/21/77/50/411217750.db2.gz KATHWTALTUWKNT-CYBMUJFWSA-N 2 1 225.380 1.156 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000310215233 411224904 /nfs/dbraw/zinc/22/49/04/411224904.db2.gz DZIGCZBIAKMASS-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)on1 ZINC000310299297 411232299 /nfs/dbraw/zinc/23/22/99/411232299.db2.gz BFKDYKLUSJRFLN-AAEUAGOBSA-N 2 1 235.331 1.544 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)on1 ZINC000310299297 411232302 /nfs/dbraw/zinc/23/23/02/411232302.db2.gz BFKDYKLUSJRFLN-AAEUAGOBSA-N 2 1 235.331 1.544 20 0 BDADMP C[C@H]([NH2+]CCOCC1CC1)c1c[nH+]ccc1N ZINC000422884123 411233517 /nfs/dbraw/zinc/23/35/17/411233517.db2.gz DKSGZYUXLRLSNA-JTQLQIEISA-N 2 1 235.331 1.571 20 0 BDADMP C[C@@H]([NH2+]CCOCC1CC1)c1c[nH+]ccc1N ZINC000422884124 411233906 /nfs/dbraw/zinc/23/39/06/411233906.db2.gz DKSGZYUXLRLSNA-SNVBAGLBSA-N 2 1 235.331 1.571 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422905651 411234584 /nfs/dbraw/zinc/23/45/84/411234584.db2.gz IMXCFWQGLMOQCP-AVGNSLFASA-N 2 1 227.396 1.304 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310360592 411234863 /nfs/dbraw/zinc/23/48/63/411234863.db2.gz JZVMNOFYWBJDLN-CYBMUJFWSA-N 2 1 236.363 1.153 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310360592 411234868 /nfs/dbraw/zinc/23/48/68/411234868.db2.gz JZVMNOFYWBJDLN-CYBMUJFWSA-N 2 1 236.363 1.153 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422903610 411235482 /nfs/dbraw/zinc/23/54/82/411235482.db2.gz FVCGUZAMINUHKA-ICIURTGMSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423173859 411236524 /nfs/dbraw/zinc/23/65/24/411236524.db2.gz AIXDEPFYMAOOGV-NSHDSACASA-N 2 1 230.315 1.482 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000050953245 411269023 /nfs/dbraw/zinc/26/90/23/411269023.db2.gz MHDUSQOKZAXTPG-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CC[NH+]1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000050952452 411269877 /nfs/dbraw/zinc/26/98/77/411269877.db2.gz XYBFSDSXKMOJHE-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP C[NH+](C)C[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000161853812 411295044 /nfs/dbraw/zinc/29/50/44/411295044.db2.gz BJZWGFXSYLGRSE-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CC[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655777416 411295875 /nfs/dbraw/zinc/29/58/75/411295875.db2.gz SIFMIBWSAQRNID-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000656699585 411324701 /nfs/dbraw/zinc/32/47/01/411324701.db2.gz MMKBRYHNHNXOII-CYBMUJFWSA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)C1C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000656699585 411324704 /nfs/dbraw/zinc/32/47/04/411324704.db2.gz MMKBRYHNHNXOII-CYBMUJFWSA-N 2 1 228.380 1.275 20 0 BDADMP CC/C=C/C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773369 411256642 /nfs/dbraw/zinc/25/66/42/411256642.db2.gz XHOJSQNPECIALK-XGACYXMMSA-N 2 1 238.375 1.796 20 0 BDADMP C[NH2+]C(C)(C)c1cn(-c2cc[nH+]cc2)nn1 ZINC000656441311 411260288 /nfs/dbraw/zinc/26/02/88/411260288.db2.gz YNXSPHKSUNXMGQ-UHFFFAOYSA-N 2 1 217.276 1.117 20 0 BDADMP CC(C)[C@@H]([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656441302 411261166 /nfs/dbraw/zinc/26/11/66/411261166.db2.gz YEPAAXIVZQWEMI-LLVKDONJSA-N 2 1 217.276 1.318 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H](CC)CO1 ZINC000403766169 411357943 /nfs/dbraw/zinc/35/79/43/411357943.db2.gz BJQSQAKJSWRMCI-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H](CC)CO1 ZINC000403766169 411357944 /nfs/dbraw/zinc/35/79/44/411357944.db2.gz BJQSQAKJSWRMCI-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783619 411361445 /nfs/dbraw/zinc/36/14/45/411361445.db2.gz RJTNOCWNBPUJHJ-NEPJUHHUSA-N 2 1 219.332 1.527 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(C)(C)N)CC[NH2+]1 ZINC000656784631 411361780 /nfs/dbraw/zinc/36/17/80/411361780.db2.gz FZVZDASOAUKABQ-QWRGUYRKSA-N 3 1 213.369 1.044 20 0 BDADMP C[C@H]1C[C@@H](CN(C)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000656784631 411361782 /nfs/dbraw/zinc/36/17/82/411361782.db2.gz FZVZDASOAUKABQ-QWRGUYRKSA-N 3 1 213.369 1.044 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656784555 411361886 /nfs/dbraw/zinc/36/18/86/411361886.db2.gz BWSFUAIDBPKOCJ-QWRGUYRKSA-N 3 1 233.359 1.158 20 0 BDADMP Cc1[nH+]cc(CNc2cc(N(C)C)cc[nH+]2)n1C ZINC000656771416 411364963 /nfs/dbraw/zinc/36/49/63/411364963.db2.gz SANSQHBMCJGEIH-UHFFFAOYSA-N 2 1 245.330 1.802 20 0 BDADMP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n[nH]1 ZINC000656786630 411365805 /nfs/dbraw/zinc/36/58/05/411365805.db2.gz VEZGTUFYZNDTEH-ZDUSSCGKSA-N 2 1 248.374 1.621 20 0 BDADMP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCCF)CC2)C1 ZINC000662152204 411367184 /nfs/dbraw/zinc/36/71/84/411367184.db2.gz QWCIAGARRKIUHM-CYBMUJFWSA-N 2 1 244.354 1.267 20 0 BDADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCCF)CC2)C1 ZINC000662152204 411367187 /nfs/dbraw/zinc/36/71/87/411367187.db2.gz QWCIAGARRKIUHM-CYBMUJFWSA-N 2 1 244.354 1.267 20 0 BDADMP COC(=O)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123476241 411367468 /nfs/dbraw/zinc/36/74/68/411367468.db2.gz SOWHDSMDMCUKSM-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123476241 411367473 /nfs/dbraw/zinc/36/74/73/411367473.db2.gz SOWHDSMDMCUKSM-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123476241 411367477 /nfs/dbraw/zinc/36/74/77/411367477.db2.gz SOWHDSMDMCUKSM-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123476241 411367480 /nfs/dbraw/zinc/36/74/80/411367480.db2.gz SOWHDSMDMCUKSM-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000656789583 411369178 /nfs/dbraw/zinc/36/91/78/411369178.db2.gz RPZFGDLERZZWTF-RWMBFGLXSA-N 2 1 237.391 1.236 20 0 BDADMP C[N@H+](CC1=CCCOC1)C[C@H]1CCC[NH2+]C1 ZINC000656790674 411371269 /nfs/dbraw/zinc/37/12/69/411371269.db2.gz IKJAMEHZYWKJAY-LBPRGKRZSA-N 2 1 224.348 1.265 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]CCCC1CCC1 ZINC000656709978 411336099 /nfs/dbraw/zinc/33/60/99/411336099.db2.gz GHEWPIHFUPIGET-AWEZNQCLSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000656711500 411336941 /nfs/dbraw/zinc/33/69/41/411336941.db2.gz STXQZEUCGSDJGG-GHMZBOCLSA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000656711500 411336942 /nfs/dbraw/zinc/33/69/42/411336942.db2.gz STXQZEUCGSDJGG-GHMZBOCLSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@H]1CC[C@H](C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)O1 ZINC000401842386 411347146 /nfs/dbraw/zinc/34/71/46/411347146.db2.gz OSIJLZHOYCVCBL-NNYUYHANSA-N 2 1 212.337 1.142 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cn[nH]c1)C2 ZINC000660661748 411375337 /nfs/dbraw/zinc/37/53/37/411375337.db2.gz FYWJYJWMRBHSBO-CQSZACIVSA-N 2 1 248.374 1.370 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1cn[nH]c1)C2 ZINC000660661748 411375344 /nfs/dbraw/zinc/37/53/44/411375344.db2.gz FYWJYJWMRBHSBO-CQSZACIVSA-N 2 1 248.374 1.370 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1cn[nH]c1)C2 ZINC000660661748 411375348 /nfs/dbraw/zinc/37/53/48/411375348.db2.gz FYWJYJWMRBHSBO-CQSZACIVSA-N 2 1 248.374 1.370 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661547 411375542 /nfs/dbraw/zinc/37/55/42/411375542.db2.gz DGSIAXBETKWCKT-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661547 411375545 /nfs/dbraw/zinc/37/55/45/411375545.db2.gz DGSIAXBETKWCKT-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661547 411375549 /nfs/dbraw/zinc/37/55/49/411375549.db2.gz DGSIAXBETKWCKT-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309436176 411383427 /nfs/dbraw/zinc/38/34/27/411383427.db2.gz MWQBFPHAKWZNMD-YPMHNXCESA-N 2 1 219.332 1.813 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927425 411383983 /nfs/dbraw/zinc/38/39/83/411383983.db2.gz QKIRUHTVPFPIDK-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927437 411384010 /nfs/dbraw/zinc/38/40/10/411384010.db2.gz QKIRUHTVPFPIDK-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CO1 ZINC000657305978 411458656 /nfs/dbraw/zinc/45/86/56/411458656.db2.gz WNUKFRYWAQZTLN-STQMWFEESA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H]1CCC[N@@H+](CCn2cccn2)[C@@H]1CC[NH3+] ZINC000404384491 411392880 /nfs/dbraw/zinc/39/28/80/411392880.db2.gz NQLORVYCEKHICK-QWHCGFSZSA-N 2 1 236.363 1.332 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404491667 411399060 /nfs/dbraw/zinc/39/90/60/411399060.db2.gz BGEWAIGNIFYKKZ-UPJWGTAASA-N 2 1 228.380 1.718 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657315043 411461784 /nfs/dbraw/zinc/46/17/84/411461784.db2.gz GOOHGMYTHBNYSW-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657315043 411461785 /nfs/dbraw/zinc/46/17/85/411461785.db2.gz GOOHGMYTHBNYSW-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000129864231 411408758 /nfs/dbraw/zinc/40/87/58/411408758.db2.gz NFZJKORRLHCAFE-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP C[N@@H+](CCc1cnccn1)CC[C@H]1CCC[NH+]1C ZINC000271398016 411429631 /nfs/dbraw/zinc/42/96/31/411429631.db2.gz WNDYKSUZTFYNGI-CQSZACIVSA-N 2 1 248.374 1.435 20 0 BDADMP C[N@H+](CCc1cnccn1)CC[C@H]1CCC[NH+]1C ZINC000271398016 411429632 /nfs/dbraw/zinc/42/96/32/411429632.db2.gz WNDYKSUZTFYNGI-CQSZACIVSA-N 2 1 248.374 1.435 20 0 BDADMP C[NH+](CCc1cnccn1)CC[C@H]1CCC[N@@H+]1C ZINC000271398016 411429633 /nfs/dbraw/zinc/42/96/33/411429633.db2.gz WNDYKSUZTFYNGI-CQSZACIVSA-N 2 1 248.374 1.435 20 0 BDADMP C[NH+](CCc1cnccn1)CC[C@H]1CCC[N@H+]1C ZINC000271398016 411429634 /nfs/dbraw/zinc/42/96/34/411429634.db2.gz WNDYKSUZTFYNGI-CQSZACIVSA-N 2 1 248.374 1.435 20 0 BDADMP CCO[C@@H]1C[N@H+]([C@H](C)CC)C[C@H]1C[NH3+] ZINC000405593241 411435328 /nfs/dbraw/zinc/43/53/28/411435328.db2.gz NHRZSIBUICIUJY-GMTAPVOTSA-N 2 1 200.326 1.081 20 0 BDADMP c1nc2n(c1CNCc1cccnc1)CCC2 ZINC000657286268 411445736 /nfs/dbraw/zinc/44/57/36/411445736.db2.gz NEUMIOAIZHCELI-UHFFFAOYSA-N 2 1 228.299 1.514 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000340446901 411472949 /nfs/dbraw/zinc/47/29/49/411472949.db2.gz QOCPBOSDTSSISD-SNVBAGLBSA-N 2 1 235.331 1.532 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)CO1 ZINC000657338355 411473167 /nfs/dbraw/zinc/47/31/67/411473167.db2.gz VVVDDXIUNFIBNT-RYUDHWBXSA-N 2 1 223.320 1.349 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000657353900 411474331 /nfs/dbraw/zinc/47/43/31/411474331.db2.gz KXOIWGUQLMUYAY-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC(C)C)C1 ZINC000307846837 411486738 /nfs/dbraw/zinc/48/67/38/411486738.db2.gz ONTRJSYBGIZXQW-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000307846837 411486741 /nfs/dbraw/zinc/48/67/41/411486741.db2.gz ONTRJSYBGIZXQW-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000307846837 411486744 /nfs/dbraw/zinc/48/67/44/411486744.db2.gz ONTRJSYBGIZXQW-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000307846068 411486917 /nfs/dbraw/zinc/48/69/17/411486917.db2.gz QVBRORXLJGKIGA-STQMWFEESA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H](C[NH2+]Cc1cnn2c1CCC2)C[NH+](C)C ZINC000657472697 411523460 /nfs/dbraw/zinc/52/34/60/411523460.db2.gz YAFKREPVSDQLHY-NSHDSACASA-N 2 1 236.363 1.117 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(COC)CC2)[C@@H](C)C1 ZINC000655817261 411528294 /nfs/dbraw/zinc/52/82/94/411528294.db2.gz JYKIUYJNFXEBRB-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP Cn1cnc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000660013781 411528489 /nfs/dbraw/zinc/52/84/89/411528489.db2.gz YSSQJEPCTDAJIB-OCCSQVGLSA-N 2 1 248.374 1.336 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000135451075 170007812 /nfs/dbraw/zinc/00/78/12/170007812.db2.gz HBUWSFJQEJMWBX-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000135451075 170007813 /nfs/dbraw/zinc/00/78/13/170007813.db2.gz HBUWSFJQEJMWBX-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000045035570 170008314 /nfs/dbraw/zinc/00/83/14/170008314.db2.gz FVRNVEJMAWKLLJ-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000054788116 170008567 /nfs/dbraw/zinc/00/85/67/170008567.db2.gz QGSXYORUGBAZFW-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000054788116 170008568 /nfs/dbraw/zinc/00/85/68/170008568.db2.gz QGSXYORUGBAZFW-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000296026760 170008975 /nfs/dbraw/zinc/00/89/75/170008975.db2.gz PUMRYLSZAVXWIK-MNOVXSKESA-N 2 1 222.336 1.402 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)[C@@H](C)C1 ZINC000353623254 170011433 /nfs/dbraw/zinc/01/14/33/170011433.db2.gz BAAKEGWFPHYEMX-WCQYABFASA-N 2 1 236.363 1.272 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000300921370 170017462 /nfs/dbraw/zinc/01/74/62/170017462.db2.gz DWMRCSBSGGDQPJ-VXGBXAGGSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H](C)O)[C@@H](C)C1 ZINC000336730883 170018036 /nfs/dbraw/zinc/01/80/36/170018036.db2.gz YJRUQKRNGZWRPV-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@H](C)O)[C@@H](C)C1 ZINC000336730883 170018037 /nfs/dbraw/zinc/01/80/37/170018037.db2.gz YJRUQKRNGZWRPV-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@H](C)O)[C@@H](C)C1 ZINC000336730883 170018038 /nfs/dbraw/zinc/01/80/38/170018038.db2.gz YJRUQKRNGZWRPV-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H](C)O)C[C@@H]1C ZINC000336721340 170018241 /nfs/dbraw/zinc/01/82/41/170018241.db2.gz SODCCDZGGYBWSU-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@@H](C)O)C[C@@H]1C ZINC000336721340 170018242 /nfs/dbraw/zinc/01/82/42/170018242.db2.gz SODCCDZGGYBWSU-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@@H](C)O)C[C@@H]1C ZINC000336721340 170018244 /nfs/dbraw/zinc/01/82/44/170018244.db2.gz SODCCDZGGYBWSU-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCO)C[C@@H]1C ZINC000336677387 170018722 /nfs/dbraw/zinc/01/87/22/170018722.db2.gz NSXMXWMKSTTZJL-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCO)C[C@@H]1C ZINC000336677387 170018723 /nfs/dbraw/zinc/01/87/23/170018723.db2.gz NSXMXWMKSTTZJL-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCO)C[C@@H]1C ZINC000336677387 170018725 /nfs/dbraw/zinc/01/87/25/170018725.db2.gz NSXMXWMKSTTZJL-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@@H](C)C1 ZINC000336776242 170020213 /nfs/dbraw/zinc/02/02/13/170020213.db2.gz FFWPGSMREZODJT-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCOCC2CC2)[C@H](C)C1 ZINC000358078801 170020387 /nfs/dbraw/zinc/02/03/87/170020387.db2.gz DKAOYPZVBUKNAP-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@H](C)C1 ZINC000353623255 170021124 /nfs/dbraw/zinc/02/11/24/170021124.db2.gz BAAKEGWFPHYEMX-YPMHNXCESA-N 2 1 236.363 1.272 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCCO)[C@@H](C)C1 ZINC000352785131 170021817 /nfs/dbraw/zinc/02/18/17/170021817.db2.gz ZIWIHXREJZKRBL-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSC2)[C@H](C)C1 ZINC000309046050 170022268 /nfs/dbraw/zinc/02/22/68/170022268.db2.gz OQFIGDHGNIYTMK-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000657559776 411550936 /nfs/dbraw/zinc/55/09/36/411550936.db2.gz QSRDEZGBZBLGKI-RDBSUJKOSA-N 2 1 238.375 1.364 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2cc(C)on2)CC1 ZINC000113656251 170111525 /nfs/dbraw/zinc/11/15/25/170111525.db2.gz MQTQPZLDMKRBLF-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP C[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)CO ZINC000660268684 411562328 /nfs/dbraw/zinc/56/23/28/411562328.db2.gz IBCRJZFLIHGOPH-XJFOESAGSA-N 2 1 242.407 1.571 20 0 BDADMP C[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)CO ZINC000660268684 411562329 /nfs/dbraw/zinc/56/23/29/411562329.db2.gz IBCRJZFLIHGOPH-XJFOESAGSA-N 2 1 242.407 1.571 20 0 BDADMP C[C@@H](CO)[C@H](C)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660268678 411562565 /nfs/dbraw/zinc/56/25/65/411562565.db2.gz IBCRJZFLIHGOPH-CRWXNKLISA-N 2 1 242.407 1.571 20 0 BDADMP C[C@@H](CO)[C@H](C)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660268678 411562566 /nfs/dbraw/zinc/56/25/66/411562566.db2.gz IBCRJZFLIHGOPH-CRWXNKLISA-N 2 1 242.407 1.571 20 0 BDADMP C[NH+]1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000657619305 411565182 /nfs/dbraw/zinc/56/51/82/411565182.db2.gz UVYAEMULVADTMC-SNVBAGLBSA-N 2 1 234.290 1.094 20 0 BDADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309616857 170313370 /nfs/dbraw/zinc/31/33/70/170313370.db2.gz DBUYMRZLLLYVCS-NEPJUHHUSA-N 2 1 228.380 1.731 20 0 BDADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309616870 170313510 /nfs/dbraw/zinc/31/35/10/170313510.db2.gz DBUYMRZLLLYVCS-RYUDHWBXSA-N 2 1 228.380 1.731 20 0 BDADMP CCOC1CC(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000367522368 170325498 /nfs/dbraw/zinc/32/54/98/170325498.db2.gz FAXRFCOBIGGCQM-AKJUYKBHSA-N 2 1 238.375 1.295 20 0 BDADMP CCOC1CC(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000367522368 170325500 /nfs/dbraw/zinc/32/55/00/170325500.db2.gz FAXRFCOBIGGCQM-AKJUYKBHSA-N 2 1 238.375 1.295 20 0 BDADMP CCOC1CC(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000367522368 170325502 /nfs/dbraw/zinc/32/55/02/170325502.db2.gz FAXRFCOBIGGCQM-AKJUYKBHSA-N 2 1 238.375 1.295 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336658807 170374820 /nfs/dbraw/zinc/37/48/20/170374820.db2.gz BFXSTWXBGJIGIW-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCOCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000120001970 170374882 /nfs/dbraw/zinc/37/48/82/170374882.db2.gz SPQJQGPXDYEWAX-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000336683148 170375371 /nfs/dbraw/zinc/37/53/71/170375371.db2.gz SMYNXSGOLMLQMH-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000336683148 170375372 /nfs/dbraw/zinc/37/53/72/170375372.db2.gz SMYNXSGOLMLQMH-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000336683148 170375373 /nfs/dbraw/zinc/37/53/73/170375373.db2.gz SMYNXSGOLMLQMH-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000250406796 170398933 /nfs/dbraw/zinc/39/89/33/170398933.db2.gz UBAYVGZLTZYLPH-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000250406796 170398935 /nfs/dbraw/zinc/39/89/35/170398935.db2.gz UBAYVGZLTZYLPH-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CC[N@H+]1CCCN(C[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000660790035 411632202 /nfs/dbraw/zinc/63/22/02/411632202.db2.gz TYIATRZBMVTPFJ-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCCN(C[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000660790035 411632205 /nfs/dbraw/zinc/63/22/05/411632205.db2.gz TYIATRZBMVTPFJ-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCCN(C[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000660790035 411632209 /nfs/dbraw/zinc/63/22/09/411632209.db2.gz TYIATRZBMVTPFJ-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP COCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653552 411613725 /nfs/dbraw/zinc/61/37/25/411613725.db2.gz SOUINCKWJJIEBF-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP COCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660653552 411613726 /nfs/dbraw/zinc/61/37/26/411613726.db2.gz SOUINCKWJJIEBF-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660653552 411613727 /nfs/dbraw/zinc/61/37/27/411613727.db2.gz SOUINCKWJJIEBF-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP COCCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659799 411614022 /nfs/dbraw/zinc/61/40/22/411614022.db2.gz RIJTUUWEPTZYES-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659799 411614024 /nfs/dbraw/zinc/61/40/24/411614024.db2.gz RIJTUUWEPTZYES-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659799 411614026 /nfs/dbraw/zinc/61/40/26/411614026.db2.gz RIJTUUWEPTZYES-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP COCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656756 411614531 /nfs/dbraw/zinc/61/45/31/411614531.db2.gz XLQSOSTYFBEZFK-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP COCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656756 411614532 /nfs/dbraw/zinc/61/45/32/411614532.db2.gz XLQSOSTYFBEZFK-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP COCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656756 411614533 /nfs/dbraw/zinc/61/45/33/411614533.db2.gz XLQSOSTYFBEZFK-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C(F)F ZINC000657874872 411615385 /nfs/dbraw/zinc/61/53/85/411615385.db2.gz BURDNDMYKFFANT-RKDXNWHRSA-N 2 1 238.322 1.178 20 0 BDADMP C[NH2+]Cc1ccccc1CNC[C@]12C[C@H]1C[NH2+]C2 ZINC000663496203 411676613 /nfs/dbraw/zinc/67/66/13/411676613.db2.gz DGOPKVNMVRHUNB-GJZGRUSLSA-N 2 1 245.370 1.105 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccccn1 ZINC000663498487 411681113 /nfs/dbraw/zinc/68/11/13/411681113.db2.gz NLTBIRYQEXYBPA-GFCCVEGCSA-N 2 1 207.321 1.545 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3COC[C@H]3C2)CC[NH2+]1 ZINC000663500948 411683480 /nfs/dbraw/zinc/68/34/80/411683480.db2.gz QOAILJHHQHOHCB-AAVRWANBSA-N 2 1 238.375 1.343 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000663502505 411685719 /nfs/dbraw/zinc/68/57/19/411685719.db2.gz IAMVQTFLRJEYOL-SDDRHHMPSA-N 3 1 213.369 1.219 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000663509330 411692309 /nfs/dbraw/zinc/69/23/09/411692309.db2.gz IZRJLWNNSNCEKT-UWVGGRQHSA-N 2 1 212.362 1.877 20 0 BDADMP CCSCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422335 170633796 /nfs/dbraw/zinc/63/37/96/170633796.db2.gz AKWSTVFHFIXRPW-UWVGGRQHSA-N 2 1 202.367 1.409 20 0 BDADMP Cn1cncc1CCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661711186 411853010 /nfs/dbraw/zinc/85/30/10/411853010.db2.gz XQPRVEUWWSPWFC-OCCSQVGLSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661711186 411853015 /nfs/dbraw/zinc/85/30/15/411853015.db2.gz XQPRVEUWWSPWFC-OCCSQVGLSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661711186 411853018 /nfs/dbraw/zinc/85/30/18/411853018.db2.gz XQPRVEUWWSPWFC-OCCSQVGLSA-N 2 1 249.358 1.321 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661970363 411927661 /nfs/dbraw/zinc/92/76/61/411927661.db2.gz LAJMPATUKMMTQZ-STQMWFEESA-N 2 1 219.332 1.923 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661970363 411927665 /nfs/dbraw/zinc/92/76/65/411927665.db2.gz LAJMPATUKMMTQZ-STQMWFEESA-N 2 1 219.332 1.923 20 0 BDADMP C[C@@H](O)[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000661767596 411879019 /nfs/dbraw/zinc/87/90/19/411879019.db2.gz MTARTRXPSSDUDP-VXGBXAGGSA-N 2 1 223.320 1.118 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662037885 411955292 /nfs/dbraw/zinc/95/52/92/411955292.db2.gz XLMIJCYDBNFOMB-UONOGXRCSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662037885 411955295 /nfs/dbraw/zinc/95/52/95/411955295.db2.gz XLMIJCYDBNFOMB-UONOGXRCSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662244971 412041533 /nfs/dbraw/zinc/04/15/33/412041533.db2.gz KHMLACWFYIJWMJ-VXGBXAGGSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000662244971 412041538 /nfs/dbraw/zinc/04/15/38/412041538.db2.gz KHMLACWFYIJWMJ-VXGBXAGGSA-N 2 1 234.347 1.344 20 0 BDADMP CC1([NH3+])CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662270090 412059687 /nfs/dbraw/zinc/05/96/87/412059687.db2.gz HXVDLUDFTLENNC-VIFPVBQESA-N 2 1 234.290 1.224 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CC=CC2)CCO1 ZINC000662247926 412045308 /nfs/dbraw/zinc/04/53/08/412045308.db2.gz OUOXKPVYQXGOKF-CMPLNLGQSA-N 2 1 210.321 1.001 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CC=CC2)CCO1 ZINC000662247926 412045311 /nfs/dbraw/zinc/04/53/11/412045311.db2.gz OUOXKPVYQXGOKF-CMPLNLGQSA-N 2 1 210.321 1.001 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662248805 412046211 /nfs/dbraw/zinc/04/62/11/412046211.db2.gz DHTKSBWJVXGOJL-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]([N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662253134 412048980 /nfs/dbraw/zinc/04/89/80/412048980.db2.gz WLSDUSCUYILEOF-RYUDHWBXSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254666 412050005 /nfs/dbraw/zinc/05/00/05/412050005.db2.gz SCQYDFNTPGUGDV-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255890 412051764 /nfs/dbraw/zinc/05/17/64/412051764.db2.gz SEVMSAIDQRYGPU-NSHDSACASA-N 2 1 224.348 1.239 20 0 BDADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000662255414 412052110 /nfs/dbraw/zinc/05/21/10/412052110.db2.gz OZKKJVVAZYSICU-XQQFMLRXSA-N 2 1 236.359 1.524 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCO[C@H]1CC1(F)F ZINC000662264326 412053931 /nfs/dbraw/zinc/05/39/31/412053931.db2.gz ILDVDOVSIWGQNW-UTLUCORTSA-N 2 1 234.290 1.080 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(C2CC2)no1 ZINC000662264748 412056417 /nfs/dbraw/zinc/05/64/17/412056417.db2.gz KMWBHJGEEJCNAG-VHSXEESVSA-N 2 1 235.331 1.721 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(C2CC2)no1 ZINC000662264748 412056421 /nfs/dbraw/zinc/05/64/21/412056421.db2.gz KMWBHJGEEJCNAG-VHSXEESVSA-N 2 1 235.331 1.721 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cc(C)nc(C)n2)CC[C@H]1[NH3+] ZINC000662270137 412060893 /nfs/dbraw/zinc/06/08/93/412060893.db2.gz IMLHAGDYBADSTR-TZMCWYRMSA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cc(C)nc(C)n2)CC[C@H]1[NH3+] ZINC000662270137 412060896 /nfs/dbraw/zinc/06/08/96/412060896.db2.gz IMLHAGDYBADSTR-TZMCWYRMSA-N 2 1 248.374 1.653 20 0 BDADMP CO[C@@H](C[N@@H+]1CCNC[C@](C)(F)C1)C1CCC1 ZINC000662272268 412062547 /nfs/dbraw/zinc/06/25/47/412062547.db2.gz DJWUKAZFUCROPA-STQMWFEESA-N 2 1 244.354 1.435 20 0 BDADMP CO[C@@H](C[N@H+]1CCNC[C@](C)(F)C1)C1CCC1 ZINC000662272268 412062549 /nfs/dbraw/zinc/06/25/49/412062549.db2.gz DJWUKAZFUCROPA-STQMWFEESA-N 2 1 244.354 1.435 20 0 BDADMP CC[C@H]1C[N@H+](Cc2conc2C)CC[C@@H]1[NH3+] ZINC000662271236 412062873 /nfs/dbraw/zinc/06/28/73/412062873.db2.gz UHYUBYNJMBZSEV-JQWIXIFHSA-N 2 1 223.320 1.542 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2conc2C)CC[C@@H]1[NH3+] ZINC000662271236 412062876 /nfs/dbraw/zinc/06/28/76/412062876.db2.gz UHYUBYNJMBZSEV-JQWIXIFHSA-N 2 1 223.320 1.542 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)CCCO1 ZINC000300862115 171085889 /nfs/dbraw/zinc/08/58/89/171085889.db2.gz IYFHVSZFYGQJAD-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)CCCO1 ZINC000300862115 171085892 /nfs/dbraw/zinc/08/58/92/171085892.db2.gz IYFHVSZFYGQJAD-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351602508 171155739 /nfs/dbraw/zinc/15/57/39/171155739.db2.gz ILGPIEJEGVUMCN-FPMFFAJLSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351602508 171155741 /nfs/dbraw/zinc/15/57/41/171155741.db2.gz ILGPIEJEGVUMCN-FPMFFAJLSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351602508 171155743 /nfs/dbraw/zinc/15/57/43/171155743.db2.gz ILGPIEJEGVUMCN-FPMFFAJLSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351602508 171155745 /nfs/dbraw/zinc/15/57/45/171155745.db2.gz ILGPIEJEGVUMCN-FPMFFAJLSA-N 2 1 240.391 1.562 20 0 BDADMP CC1([NH3+])CC[NH+](Cc2ccccn2)CC1 ZINC000220148065 412074214 /nfs/dbraw/zinc/07/42/14/412074214.db2.gz WKAKIHJEGJJCRF-UHFFFAOYSA-N 2 1 205.305 1.395 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000662284634 412075067 /nfs/dbraw/zinc/07/50/67/412075067.db2.gz ZGNFZUJELRASHO-CMPLNLGQSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000662284634 412075071 /nfs/dbraw/zinc/07/50/71/412075071.db2.gz ZGNFZUJELRASHO-CMPLNLGQSA-N 2 1 249.358 1.969 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000662284606 412075136 /nfs/dbraw/zinc/07/51/36/412075136.db2.gz NTTILEGLYQYGFU-CYZMBNFOSA-N 2 1 226.364 1.613 20 0 BDADMP Cc1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)co1 ZINC000662283379 412075268 /nfs/dbraw/zinc/07/52/68/412075268.db2.gz NAZWOQHNGVPKQP-NSHDSACASA-N 2 1 249.358 1.947 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292070 412082814 /nfs/dbraw/zinc/08/28/14/412082814.db2.gz LVJDLYHWRTXIBA-AAEUAGOBSA-N 3 1 225.380 1.045 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295611 412083753 /nfs/dbraw/zinc/08/37/53/412083753.db2.gz VSIUZFACTQDNTQ-CYBMUJFWSA-N 2 1 249.358 1.886 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC[C@@H]1CCOC1 ZINC000336739963 171306658 /nfs/dbraw/zinc/30/66/58/171306658.db2.gz POSMSFPXVFUGDC-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC[C@@H]1CCOC1 ZINC000336739963 171306660 /nfs/dbraw/zinc/30/66/60/171306660.db2.gz POSMSFPXVFUGDC-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336658588 171308563 /nfs/dbraw/zinc/30/85/63/171308563.db2.gz BCMDQGPRQHRLHA-CMPLNLGQSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336658588 171308564 /nfs/dbraw/zinc/30/85/64/171308564.db2.gz BCMDQGPRQHRLHA-CMPLNLGQSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336658588 171308565 /nfs/dbraw/zinc/30/85/65/171308565.db2.gz BCMDQGPRQHRLHA-CMPLNLGQSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336658588 171308566 /nfs/dbraw/zinc/30/85/66/171308566.db2.gz BCMDQGPRQHRLHA-CMPLNLGQSA-N 2 1 214.353 1.172 20 0 BDADMP COCC1([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000662298503 412084570 /nfs/dbraw/zinc/08/45/70/412084570.db2.gz DNXYRBPTKAEEGX-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H](C)C1 ZINC000662297029 412084847 /nfs/dbraw/zinc/08/48/47/412084847.db2.gz XXWOWBXOVQGASQ-JHJVBQTASA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ncn1 ZINC000662286623 412078544 /nfs/dbraw/zinc/07/85/44/412078544.db2.gz SFXJATJYABIPKI-SMDDNHRTSA-N 2 1 248.374 1.734 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])OC ZINC000662285423 412078588 /nfs/dbraw/zinc/07/85/88/412078588.db2.gz JJFNYFSUVPYCRL-RWMBFGLXSA-N 2 1 244.379 1.097 20 0 BDADMP CC[C@H](C)[C@H](C)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357079856 171386396 /nfs/dbraw/zinc/38/63/96/171386396.db2.gz LPMCUGVRVLDIMR-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](CCF)C1 ZINC000662311632 412094293 /nfs/dbraw/zinc/09/42/93/412094293.db2.gz VCLMSDPYQHMQCE-LLVKDONJSA-N 2 1 202.317 1.668 20 0 BDADMP COc1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662310869 412094514 /nfs/dbraw/zinc/09/45/14/412094514.db2.gz OKPIKNUCLXVVAH-LBPRGKRZSA-N 2 1 246.354 1.663 20 0 BDADMP COc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662310869 412094516 /nfs/dbraw/zinc/09/45/16/412094516.db2.gz OKPIKNUCLXVVAH-LBPRGKRZSA-N 2 1 246.354 1.663 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316040 412096074 /nfs/dbraw/zinc/09/60/74/412096074.db2.gz VWUGIPSXDAATMS-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP C[C@@H](N)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315528 412096278 /nfs/dbraw/zinc/09/62/78/412096278.db2.gz HLOXFZFEIFPWHL-IJLUTSLNSA-N 2 1 213.369 1.173 20 0 BDADMP C[C@@H]([NH3+])CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315528 412096281 /nfs/dbraw/zinc/09/62/81/412096281.db2.gz HLOXFZFEIFPWHL-IJLUTSLNSA-N 2 1 213.369 1.173 20 0 BDADMP COCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313593 412096745 /nfs/dbraw/zinc/09/67/45/412096745.db2.gz JDEQMAAAOFKGAO-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP CC[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321249 412101415 /nfs/dbraw/zinc/10/14/15/412101415.db2.gz ABDOHHFZIOJOOE-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327838 412104869 /nfs/dbraw/zinc/10/48/69/412104869.db2.gz WVMZNPUEXGNNHV-RWMBFGLXSA-N 2 1 224.348 1.226 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000665236551 412175669 /nfs/dbraw/zinc/17/56/69/412175669.db2.gz PBTGLNOITCSGRK-AGIUHOORSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000665236551 412175673 /nfs/dbraw/zinc/17/56/73/412175673.db2.gz PBTGLNOITCSGRK-AGIUHOORSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236632 412176370 /nfs/dbraw/zinc/17/63/70/412176370.db2.gz QXFRTRHUONGNBT-UPJWGTAASA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C/C=C\CO ZINC000665239677 412180730 /nfs/dbraw/zinc/18/07/30/412180730.db2.gz XFSATLMIAMLKSX-KIZSPLDGSA-N 2 1 234.343 1.083 20 0 BDADMP C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000665244294 412187056 /nfs/dbraw/zinc/18/70/56/412187056.db2.gz KJDGRIDZKGZFKP-IVZWLZJFSA-N 2 1 234.290 1.141 20 0 BDADMP CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665244708 412189178 /nfs/dbraw/zinc/18/91/78/412189178.db2.gz UILFMCRSMFRFIG-GARJFASQSA-N 2 1 248.317 1.531 20 0 BDADMP C[C@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[N@H+]1C ZINC000665249076 412195207 /nfs/dbraw/zinc/19/52/07/412195207.db2.gz JEHOFVHNWXNJMI-RYUDHWBXSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]([NH2+]CCc1ccoc1)c1c[nH+]ccc1N ZINC000665262036 412204864 /nfs/dbraw/zinc/20/48/64/412204864.db2.gz RROKDPTXJGHEJU-SNVBAGLBSA-N 2 1 231.299 1.980 20 0 BDADMP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@H]1CC[NH2+]C1 ZINC000665264615 412206896 /nfs/dbraw/zinc/20/68/96/412206896.db2.gz DUMWNHLJOFRZPE-JQWIXIFHSA-N 2 1 248.374 1.385 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000665265681 412209516 /nfs/dbraw/zinc/20/95/16/412209516.db2.gz ZGYDEYNYGUZCJT-OPRDCNLKSA-N 2 1 218.291 1.619 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665274303 412216941 /nfs/dbraw/zinc/21/69/41/412216941.db2.gz NEFRJFHHLQVUGP-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665274305 412217347 /nfs/dbraw/zinc/21/73/47/412217347.db2.gz NEFRJFHHLQVUGP-MJBXVCDLSA-N 2 1 239.407 1.591 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665277834 412221022 /nfs/dbraw/zinc/22/10/22/412221022.db2.gz MWALQCFAGGWEMA-MRFPXMQZSA-N 2 1 238.375 1.532 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000665281167 412226975 /nfs/dbraw/zinc/22/69/75/412226975.db2.gz WJQAOYJUSJIAGU-YRGRVCCFSA-N 2 1 239.407 1.575 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000665281167 412226978 /nfs/dbraw/zinc/22/69/78/412226978.db2.gz WJQAOYJUSJIAGU-YRGRVCCFSA-N 2 1 239.407 1.575 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1nccn1C ZINC000665283959 412228755 /nfs/dbraw/zinc/22/87/55/412228755.db2.gz XWLQIIXGPSOTKG-SDDRHHMPSA-N 2 1 236.363 1.459 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000665298048 412243985 /nfs/dbraw/zinc/24/39/85/412243985.db2.gz QWSIEUZRPVLNOF-MNOVXSKESA-N 2 1 237.347 1.219 20 0 BDADMP CC[C@@H]([NH2+]CCOCCF)[C@@H]1CCC[NH2+]1 ZINC000665299736 412248690 /nfs/dbraw/zinc/24/86/90/412248690.db2.gz RWTXDORAYWWNLV-MNOVXSKESA-N 2 1 218.316 1.093 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000333806753 172081028 /nfs/dbraw/zinc/08/10/28/172081028.db2.gz IQBMYGGAYKKJDD-NSHDSACASA-N 2 1 237.347 1.777 20 0 BDADMP CCn1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000250332524 172167021 /nfs/dbraw/zinc/16/70/21/172167021.db2.gz GDPNKRQUGJPDFD-MNOVXSKESA-N 2 1 222.336 1.072 20 0 BDADMP C[N@@H+](CCc1ccccn1)CC1CC[NH2+]CC1 ZINC000020074288 172784030 /nfs/dbraw/zinc/78/40/30/172784030.db2.gz BDTHWOVVQZXWPU-UHFFFAOYSA-N 2 1 233.359 1.556 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(O)C1 ZINC000300332537 173004524 /nfs/dbraw/zinc/00/45/24/173004524.db2.gz MFJAAVYXFPUNKI-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](C)(O)C1 ZINC000300332537 173004526 /nfs/dbraw/zinc/00/45/26/173004526.db2.gz MFJAAVYXFPUNKI-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](C)(O)C1 ZINC000300332537 173004528 /nfs/dbraw/zinc/00/45/28/173004528.db2.gz MFJAAVYXFPUNKI-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000335681851 173008287 /nfs/dbraw/zinc/00/82/87/173008287.db2.gz QNYUVEXMGQYKIH-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000335681851 173008289 /nfs/dbraw/zinc/00/82/89/173008289.db2.gz QNYUVEXMGQYKIH-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000335681851 173008292 /nfs/dbraw/zinc/00/82/92/173008292.db2.gz QNYUVEXMGQYKIH-QWHCGFSZSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@H+]1CCCN(C(=O)CCCCCC[NH3+])CC1 ZINC000020217857 173011972 /nfs/dbraw/zinc/01/19/72/173011972.db2.gz MJYKCWQKUMACLS-UHFFFAOYSA-N 2 1 241.379 1.060 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CO)CC1 ZINC000305100213 173029429 /nfs/dbraw/zinc/02/94/29/173029429.db2.gz BDTUDDKTOQYZJV-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CO)C1 ZINC000305635255 173029438 /nfs/dbraw/zinc/02/94/38/173029438.db2.gz GVXPOWVMAYHYKU-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000305635255 173029440 /nfs/dbraw/zinc/02/94/40/173029440.db2.gz GVXPOWVMAYHYKU-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CO)C1 ZINC000305635255 173029442 /nfs/dbraw/zinc/02/94/42/173029442.db2.gz GVXPOWVMAYHYKU-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000336712388 173035472 /nfs/dbraw/zinc/03/54/72/173035472.db2.gz RWSBANOOBFVENB-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000336712388 173035474 /nfs/dbraw/zinc/03/54/74/173035474.db2.gz RWSBANOOBFVENB-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000336712388 173035476 /nfs/dbraw/zinc/03/54/76/173035476.db2.gz RWSBANOOBFVENB-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790424 173036341 /nfs/dbraw/zinc/03/63/41/173036341.db2.gz YCJQTEOCECGENG-KGLIPLIRSA-N 2 1 248.374 1.368 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790424 173036343 /nfs/dbraw/zinc/03/63/43/173036343.db2.gz YCJQTEOCECGENG-KGLIPLIRSA-N 2 1 248.374 1.368 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790424 173036345 /nfs/dbraw/zinc/03/63/45/173036345.db2.gz YCJQTEOCECGENG-KGLIPLIRSA-N 2 1 248.374 1.368 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC1(C)COC1 ZINC000336698576 173040052 /nfs/dbraw/zinc/04/00/52/173040052.db2.gz JKRBOTHAUYWBTA-LBPRGKRZSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC1(C)COC1 ZINC000336698576 173040054 /nfs/dbraw/zinc/04/00/54/173040054.db2.gz JKRBOTHAUYWBTA-LBPRGKRZSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC1(C)COC1 ZINC000336698576 173040058 /nfs/dbraw/zinc/04/00/58/173040058.db2.gz JKRBOTHAUYWBTA-LBPRGKRZSA-N 2 1 226.364 1.297 20 0 BDADMP C[N@@H+](CCc1ccccn1)C[C@H]1CCC[NH+](C)C1 ZINC000152426971 173041333 /nfs/dbraw/zinc/04/13/33/173041333.db2.gz LWTIZKUZKRJYCP-AWEZNQCLSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1ccccn1)C[C@H]1CCC[N@H+](C)C1 ZINC000152426971 173041335 /nfs/dbraw/zinc/04/13/35/173041335.db2.gz LWTIZKUZKRJYCP-AWEZNQCLSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1ccccn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152426971 173041336 /nfs/dbraw/zinc/04/13/36/173041336.db2.gz LWTIZKUZKRJYCP-AWEZNQCLSA-N 2 1 247.386 1.898 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCOC1 ZINC000336554753 173041560 /nfs/dbraw/zinc/04/15/60/173041560.db2.gz BJDRSPMXRBPURG-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000336554753 173041562 /nfs/dbraw/zinc/04/15/62/173041562.db2.gz BJDRSPMXRBPURG-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000336554753 173041565 /nfs/dbraw/zinc/04/15/65/173041565.db2.gz BJDRSPMXRBPURG-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC000374281660 173044451 /nfs/dbraw/zinc/04/44/51/173044451.db2.gz BBXMKCGSRKHVPC-AWEZNQCLSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367245647 173051926 /nfs/dbraw/zinc/05/19/26/173051926.db2.gz ZLUMFMKRPTWELW-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](O)C1(C)C ZINC000335722224 173052815 /nfs/dbraw/zinc/05/28/15/173052815.db2.gz WGEJNZYDGUINPI-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000335722224 173052817 /nfs/dbraw/zinc/05/28/17/173052817.db2.gz WGEJNZYDGUINPI-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](O)C1(C)C ZINC000335722224 173052818 /nfs/dbraw/zinc/05/28/18/173052818.db2.gz WGEJNZYDGUINPI-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCSC3)[C@@H]2C1 ZINC000366032284 173132226 /nfs/dbraw/zinc/13/22/26/173132226.db2.gz VUIJXBVQTWYCDE-YNEHKIRRSA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCSC3)[C@@H]2C1 ZINC000366032284 173132229 /nfs/dbraw/zinc/13/22/29/173132229.db2.gz VUIJXBVQTWYCDE-YNEHKIRRSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CCSC3)[C@@H]2C1 ZINC000366032284 173132230 /nfs/dbraw/zinc/13/22/30/173132230.db2.gz VUIJXBVQTWYCDE-YNEHKIRRSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CCSC3)[C@@H]2C1 ZINC000366032284 173132232 /nfs/dbraw/zinc/13/22/32/173132232.db2.gz VUIJXBVQTWYCDE-YNEHKIRRSA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(C)(C)O)C2)C1 ZINC000309274828 173137963 /nfs/dbraw/zinc/13/79/63/173137963.db2.gz DOVKKOFCONLSOM-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(C)(C)O)C2)C1 ZINC000309274828 173137965 /nfs/dbraw/zinc/13/79/65/173137965.db2.gz DOVKKOFCONLSOM-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(C)(C)O)C2)C1 ZINC000309274828 173137966 /nfs/dbraw/zinc/13/79/66/173137966.db2.gz DOVKKOFCONLSOM-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353515949 173153005 /nfs/dbraw/zinc/15/30/05/173153005.db2.gz IVDPYTGESSGNFD-ILXRZTDVSA-N 2 1 247.386 1.988 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353515950 173153499 /nfs/dbraw/zinc/15/34/99/173153499.db2.gz IVDPYTGESSGNFD-KKUMJFAQSA-N 2 1 247.386 1.988 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccncc3)C2)C1 ZINC000292155324 173166835 /nfs/dbraw/zinc/16/68/35/173166835.db2.gz NYBVMDZFFUYKRC-HNNXBMFYSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccncc3)C2)C1 ZINC000292155324 173166837 /nfs/dbraw/zinc/16/68/37/173166837.db2.gz NYBVMDZFFUYKRC-HNNXBMFYSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccncc3)C2)C1 ZINC000292155324 173166839 /nfs/dbraw/zinc/16/68/39/173166839.db2.gz NYBVMDZFFUYKRC-HNNXBMFYSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000309653309 173346709 /nfs/dbraw/zinc/34/67/09/173346709.db2.gz UNWJFKCMXRYYPY-NWDGAFQWSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000309653309 173346710 /nfs/dbraw/zinc/34/67/10/173346710.db2.gz UNWJFKCMXRYYPY-NWDGAFQWSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000070798654 173370809 /nfs/dbraw/zinc/37/08/09/173370809.db2.gz WNPDVJYYWLDTHI-LBPRGKRZSA-N 2 1 220.316 1.434 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000070798654 173370811 /nfs/dbraw/zinc/37/08/11/173370811.db2.gz WNPDVJYYWLDTHI-LBPRGKRZSA-N 2 1 220.316 1.434 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)nc2)C1 ZINC000062053797 173370895 /nfs/dbraw/zinc/37/08/95/173370895.db2.gz MXESFEDREBLHKP-ZDUSSCGKSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000062053797 173370897 /nfs/dbraw/zinc/37/08/97/173370897.db2.gz MXESFEDREBLHKP-ZDUSSCGKSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H](C)CNc1[nH+]c2ccccc2n1C ZINC000129529580 173375642 /nfs/dbraw/zinc/37/56/42/173375642.db2.gz CMEQZGRXMJOFDZ-JTQLQIEISA-N 2 1 232.331 1.841 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224610504 173461267 /nfs/dbraw/zinc/46/12/67/173461267.db2.gz BXUSHVPCXAKQEC-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224610504 173461268 /nfs/dbraw/zinc/46/12/68/173461268.db2.gz BXUSHVPCXAKQEC-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP COC1CC([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000336768599 174017130 /nfs/dbraw/zinc/01/71/30/174017130.db2.gz RCENCDPCYJQFAS-UHFFFAOYSA-N 2 1 223.320 1.349 20 0 BDADMP COC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000336686160 174029083 /nfs/dbraw/zinc/02/90/83/174029083.db2.gz FXHSAQHNVVFDKD-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP COCC(C)(C)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000348167238 174070369 /nfs/dbraw/zinc/07/03/69/174070369.db2.gz OXVFYXZQFRTULQ-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000348167238 174070371 /nfs/dbraw/zinc/07/03/71/174070371.db2.gz OXVFYXZQFRTULQ-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336762510 174074110 /nfs/dbraw/zinc/07/41/10/174074110.db2.gz LKJTWSKSEZLPAL-NWDGAFQWSA-N 2 1 228.380 1.589 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336651015 174076184 /nfs/dbraw/zinc/07/61/84/174076184.db2.gz HUCJJMIUJGEALW-NEPJUHHUSA-N 2 1 228.380 1.731 20 0 BDADMP COCCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000122699636 174184051 /nfs/dbraw/zinc/18/40/51/174184051.db2.gz FKIYHWQJFINXCH-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP COCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123409439 174188199 /nfs/dbraw/zinc/18/81/99/174188199.db2.gz KYCKCKXNLXDIOU-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123409439 174188200 /nfs/dbraw/zinc/18/82/00/174188200.db2.gz KYCKCKXNLXDIOU-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123409439 174188204 /nfs/dbraw/zinc/18/82/04/174188204.db2.gz KYCKCKXNLXDIOU-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123409439 174188207 /nfs/dbraw/zinc/18/82/07/174188207.db2.gz KYCKCKXNLXDIOU-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991268 174227490 /nfs/dbraw/zinc/22/74/90/174227490.db2.gz UAGUPIAGYQALCE-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP COCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336706764 174232877 /nfs/dbraw/zinc/23/28/77/174232877.db2.gz OGWOTPVEKXUZQY-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP COCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000101601112 174250073 /nfs/dbraw/zinc/25/00/73/174250073.db2.gz RUCONMVFPSLODG-SDDRHHMPSA-N 2 1 214.353 1.341 20 0 BDADMP COCCC[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000309494767 174260949 /nfs/dbraw/zinc/26/09/49/174260949.db2.gz YAVJTRQHQXMALH-YPMHNXCESA-N 2 1 228.380 1.731 20 0 BDADMP COCCC[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000309494764 174263281 /nfs/dbraw/zinc/26/32/81/174263281.db2.gz YAVJTRQHQXMALH-AAEUAGOBSA-N 2 1 228.380 1.731 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000284001207 174275487 /nfs/dbraw/zinc/27/54/87/174275487.db2.gz HUIGUKAAFMUURK-NSHDSACASA-N 2 1 240.351 1.029 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000284001207 174275489 /nfs/dbraw/zinc/27/54/89/174275489.db2.gz HUIGUKAAFMUURK-NSHDSACASA-N 2 1 240.351 1.029 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000062911888 174286781 /nfs/dbraw/zinc/28/67/81/174286781.db2.gz TWMWNZCMBOTQLW-ZDUSSCGKSA-N 2 1 228.380 1.590 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@H]([NH3+])CC(C)C ZINC000042370829 174287289 /nfs/dbraw/zinc/28/72/89/174287289.db2.gz FGKIVBQNRAQZIH-ZDUSSCGKSA-N 2 1 230.396 1.964 20 0 BDADMP COCC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000234763055 174297255 /nfs/dbraw/zinc/29/72/55/174297255.db2.gz MBAKWNSZSLGKAI-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000112343038 174305254 /nfs/dbraw/zinc/30/52/54/174305254.db2.gz WTVFYTBVHYATSX-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320240 175328609 /nfs/dbraw/zinc/32/86/09/175328609.db2.gz BYFXGFBHTNRQBY-BETUJISGSA-N 2 1 232.327 1.346 20 0 BDADMP COc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320240 175328610 /nfs/dbraw/zinc/32/86/10/175328610.db2.gz BYFXGFBHTNRQBY-BETUJISGSA-N 2 1 232.327 1.346 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000309754911 176052637 /nfs/dbraw/zinc/05/26/37/176052637.db2.gz HJOUUWQUQNLYDD-GRYCIOLGSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000037880232 176088212 /nfs/dbraw/zinc/08/82/12/176088212.db2.gz UMEQOBPSLIPMFH-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1CCN(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000336363462 176167323 /nfs/dbraw/zinc/16/73/23/176167323.db2.gz BEOHRHRTSNKKRM-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000333348172 176185448 /nfs/dbraw/zinc/18/54/48/176185448.db2.gz ZSTGRBNPLJMOMB-VOAKCMCISA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309775166 176269828 /nfs/dbraw/zinc/26/98/28/176269828.db2.gz LNBQMGYWEPZYHX-KOLCDFICSA-N 2 1 232.318 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000305159224 176279672 /nfs/dbraw/zinc/27/96/72/176279672.db2.gz WOIXXHIVVGLFBR-LPWJVIDDSA-N 2 1 242.407 1.712 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000361401054 176279766 /nfs/dbraw/zinc/27/97/66/176279766.db2.gz UYLGNUZIYYVCEN-SYQHCUMBSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCF)CC[C@H]1[NH3+] ZINC000336678097 176287796 /nfs/dbraw/zinc/28/77/96/176287796.db2.gz DWBVGVGAMCJXDS-GHMZBOCLSA-N 2 1 202.317 1.795 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1CO ZINC000362090247 176292224 /nfs/dbraw/zinc/29/22/24/176292224.db2.gz MKNWXNBSLNWIGJ-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1CO ZINC000362090247 176292225 /nfs/dbraw/zinc/29/22/25/176292225.db2.gz MKNWXNBSLNWIGJ-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1CO ZINC000362090247 176292227 /nfs/dbraw/zinc/29/22/27/176292227.db2.gz MKNWXNBSLNWIGJ-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C1CC1 ZINC000363540439 176297321 /nfs/dbraw/zinc/29/73/21/176297321.db2.gz WMINODZKKXJTES-KWCYVHTRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C1CC1 ZINC000363540439 176297322 /nfs/dbraw/zinc/29/73/22/176297322.db2.gz WMINODZKKXJTES-KWCYVHTRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251675673 176300302 /nfs/dbraw/zinc/30/03/02/176300302.db2.gz LYMMEJGXADDUSF-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251675673 176300304 /nfs/dbraw/zinc/30/03/04/176300304.db2.gz LYMMEJGXADDUSF-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000049712463 176309800 /nfs/dbraw/zinc/30/98/00/176309800.db2.gz LMGBDFJJPBPVCC-PWSUYJOCSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000049712463 176309801 /nfs/dbraw/zinc/30/98/01/176309801.db2.gz LMGBDFJJPBPVCC-PWSUYJOCSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[C@@H]1CC[NH2+]C1 ZINC000094462332 176322367 /nfs/dbraw/zinc/32/23/67/176322367.db2.gz AWCQOOOYMZRYMO-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919007 176336061 /nfs/dbraw/zinc/33/60/61/176336061.db2.gz DGLNBRMGYRDOSQ-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000310059686 176342439 /nfs/dbraw/zinc/34/24/39/176342439.db2.gz JZDGJALIDLUTGY-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000310059686 176342440 /nfs/dbraw/zinc/34/24/40/176342440.db2.gz JZDGJALIDLUTGY-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304370212 176354109 /nfs/dbraw/zinc/35/41/09/176354109.db2.gz FVGHEBHJPFAQHY-VOAKCMCISA-N 2 1 240.416 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccncc1 ZINC000049712475 176371213 /nfs/dbraw/zinc/37/12/13/176371213.db2.gz AWBURCZOPHUUGQ-PWSUYJOCSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccncc1 ZINC000049712475 176371214 /nfs/dbraw/zinc/37/12/14/176371214.db2.gz AWBURCZOPHUUGQ-PWSUYJOCSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[N@H+]1C ZINC000309660049 176374608 /nfs/dbraw/zinc/37/46/08/176374608.db2.gz ASCXPOCDAAOIFU-YPMHNXCESA-N 2 1 224.348 1.405 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCC2)CC[N@@H+]1C ZINC000359077104 176379421 /nfs/dbraw/zinc/37/94/21/176379421.db2.gz XUMISZBBYKKXTA-XBFCOCLRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCC2)CC[N@H+]1C ZINC000359077104 176379422 /nfs/dbraw/zinc/37/94/22/176379422.db2.gz XUMISZBBYKKXTA-XBFCOCLRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000166796210 176398170 /nfs/dbraw/zinc/39/81/70/176398170.db2.gz JAGNKFIOFZFROO-FDYHWXHSSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000166796210 176398171 /nfs/dbraw/zinc/39/81/71/176398171.db2.gz JAGNKFIOFZFROO-FDYHWXHSSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCSCC2)CC[NH2+]1 ZINC000235368026 176413103 /nfs/dbraw/zinc/41/31/03/176413103.db2.gz XNUNOABKVPJHDB-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000226537544 176768857 /nfs/dbraw/zinc/76/88/57/176768857.db2.gz SPJDVLDEMCRTLK-GMXVVIOVSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336745829 177001261 /nfs/dbraw/zinc/00/12/61/177001261.db2.gz BKCGJVVVRXPLCB-BJDJZHNGSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336745829 177001262 /nfs/dbraw/zinc/00/12/62/177001262.db2.gz BKCGJVVVRXPLCB-BJDJZHNGSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+](C)CCn1ccnc1 ZINC000162417372 177042749 /nfs/dbraw/zinc/04/27/49/177042749.db2.gz VHHIBYGCTDINCX-GFCCVEGCSA-N 2 1 230.315 1.971 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1=CCCOC1 ZINC000336526517 177233779 /nfs/dbraw/zinc/23/37/79/177233779.db2.gz NDGKUJITANXLKI-GXTWGEPZSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1=CCCOC1 ZINC000336526517 177233780 /nfs/dbraw/zinc/23/37/80/177233780.db2.gz NDGKUJITANXLKI-GXTWGEPZSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1=CCCOC1 ZINC000336526517 177233781 /nfs/dbraw/zinc/23/37/81/177233781.db2.gz NDGKUJITANXLKI-GXTWGEPZSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1=CCCOC1 ZINC000336526517 177233782 /nfs/dbraw/zinc/23/37/82/177233782.db2.gz NDGKUJITANXLKI-GXTWGEPZSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH2+]CC2CC2)CCCO1 ZINC000309752010 177248958 /nfs/dbraw/zinc/24/89/58/177248958.db2.gz GYVIFZHLWILBOM-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1C[N@H+](CCc2ccccc2)C[C@@H]1[NH3+] ZINC000235649399 177254185 /nfs/dbraw/zinc/25/41/85/177254185.db2.gz HVXGSRUBYZUWET-AAEUAGOBSA-N 2 1 204.317 1.508 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1[NH3+] ZINC000235649399 177254186 /nfs/dbraw/zinc/25/41/86/177254186.db2.gz HVXGSRUBYZUWET-AAEUAGOBSA-N 2 1 204.317 1.508 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000235381811 177258857 /nfs/dbraw/zinc/25/88/57/177258857.db2.gz MCHVJSQFGCFSFL-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000094339194 177263047 /nfs/dbraw/zinc/26/30/47/177263047.db2.gz DWOCUSGNTOAVIR-FZMZJTMJSA-N 2 1 246.354 1.791 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2nccs2)CC[N@H+]1C ZINC000127840283 177370699 /nfs/dbraw/zinc/37/06/99/177370699.db2.gz IPLFDPLRWVTZTH-WDEREUQCSA-N 2 1 239.388 1.758 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309766148 177371286 /nfs/dbraw/zinc/37/12/86/177371286.db2.gz NTCQBSJPJQBIHT-FRRDWIJNSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309766148 177371288 /nfs/dbraw/zinc/37/12/88/177371288.db2.gz NTCQBSJPJQBIHT-FRRDWIJNSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H]1Cc2ccccc2C[N@H+]1CCOCC[NH3+] ZINC000357090984 177389783 /nfs/dbraw/zinc/38/97/83/177389783.db2.gz VPUKBOGCWZWHRT-LBPRGKRZSA-N 2 1 234.343 1.409 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087325962 487640872 /nfs/dbraw/zinc/64/08/72/487640872.db2.gz IUBKRRVESYVQJA-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000494363887 226264312 /nfs/dbraw/zinc/26/43/12/226264312.db2.gz CYGWXSPWSJLHAR-LBPRGKRZSA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400493569 226345109 /nfs/dbraw/zinc/34/51/09/226345109.db2.gz AHWSSLWDBBPMCB-ADEWGFFLSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1ccccc1OCCC[NH2+][C@H]1CC[NH2+]C1 ZINC000507327745 226368726 /nfs/dbraw/zinc/36/87/26/226368726.db2.gz DJHPBCFSCOFRHF-ZDUSSCGKSA-N 2 1 234.343 1.715 20 0 BDADMP C[NH2+]C1CCN(CCCc2c[nH+]cn2C)CC1 ZINC000313847443 487650951 /nfs/dbraw/zinc/65/09/51/487650951.db2.gz BSVCKWIIEBNGGP-UHFFFAOYSA-N 2 1 236.363 1.037 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000314961868 487668978 /nfs/dbraw/zinc/66/89/78/487668978.db2.gz VMINSILHOCEJIC-JSGCOSHPSA-N 2 1 248.374 1.037 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)O1 ZINC000228536206 487672170 /nfs/dbraw/zinc/67/21/70/487672170.db2.gz QLQLWIOACUPGDD-XVIXHAIJSA-N 2 1 238.375 1.613 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)OC)[C@H](C)C1 ZINC000188119195 487679529 /nfs/dbraw/zinc/67/95/29/487679529.db2.gz MVYMPXPVNGPWEO-IJLUTSLNSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@H]1CNC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000401705189 487683887 /nfs/dbraw/zinc/68/38/87/487683887.db2.gz RGKHQGAEJNHQDY-RISCZKNCSA-N 2 1 236.334 1.956 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000401705189 487683891 /nfs/dbraw/zinc/68/38/91/487683891.db2.gz RGKHQGAEJNHQDY-RISCZKNCSA-N 2 1 236.334 1.956 20 0 BDADMP Cc1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)co1 ZINC000383985827 487686056 /nfs/dbraw/zinc/68/60/56/487686056.db2.gz KQEKLCVAYHXYNL-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000228622387 487694991 /nfs/dbraw/zinc/69/49/91/487694991.db2.gz RALKXDSQCWHLHW-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000228622387 487694996 /nfs/dbraw/zinc/69/49/96/487694996.db2.gz RALKXDSQCWHLHW-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000228622795 487696336 /nfs/dbraw/zinc/69/63/36/487696336.db2.gz BVKWSKHIMZGGMB-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000395246726 262785114 /nfs/dbraw/zinc/78/51/14/262785114.db2.gz SEXVEXYFGKATSX-NNYUYHANSA-N 2 1 226.364 1.266 20 0 BDADMP C(CC1CCOCC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000681111822 487730227 /nfs/dbraw/zinc/73/02/27/487730227.db2.gz LURCMAFWYSNVNB-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000226396846 487731134 /nfs/dbraw/zinc/73/11/34/487731134.db2.gz PRYCVNYJQIXIOI-NSHDSACASA-N 2 1 243.395 1.350 20 0 BDADMP C[N@@H+](C[C@H]1CNCCO1)[C@H]1CCc2ccccc21 ZINC000250416507 487731777 /nfs/dbraw/zinc/73/17/77/487731777.db2.gz OPJCKKZZDUACLA-HIFRSBDPSA-N 2 1 246.354 1.594 20 0 BDADMP CN(C[C@H]1C[NH2+]CCO1)[C@H]1CCc2ccccc21 ZINC000250416507 487731782 /nfs/dbraw/zinc/73/17/82/487731782.db2.gz OPJCKKZZDUACLA-HIFRSBDPSA-N 2 1 246.354 1.594 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250493200 487733314 /nfs/dbraw/zinc/73/33/14/487733314.db2.gz IUBKRRVESYVQJA-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)[nH]n1 ZINC000671748173 487743032 /nfs/dbraw/zinc/74/30/32/487743032.db2.gz JZYJZLUANHRDHB-MGPQQGTHSA-N 2 1 248.374 1.681 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)[nH]n1 ZINC000671748171 487743253 /nfs/dbraw/zinc/74/32/53/487743253.db2.gz JZYJZLUANHRDHB-BFHYXJOUSA-N 2 1 248.374 1.681 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000233795213 487743384 /nfs/dbraw/zinc/74/33/84/487743384.db2.gz OVGQLVPDYDSWTL-GMTAPVOTSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1cncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000227300539 487749609 /nfs/dbraw/zinc/74/96/09/487749609.db2.gz JXXSGZYMCBCUPA-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000227300539 487749611 /nfs/dbraw/zinc/74/96/11/487749611.db2.gz JXXSGZYMCBCUPA-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000157890645 487761222 /nfs/dbraw/zinc/76/12/22/487761222.db2.gz VDFJSUUYPJRFCB-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000459512445 487768271 /nfs/dbraw/zinc/76/82/71/487768271.db2.gz NJOFBMHBYZQCAU-NEPJUHHUSA-N 2 1 237.347 1.366 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)n1C ZINC000667947394 487779740 /nfs/dbraw/zinc/77/97/40/487779740.db2.gz OOZKJVMVGSRASQ-TZMCWYRMSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)n1C ZINC000667947394 487779744 /nfs/dbraw/zinc/77/97/44/487779744.db2.gz OOZKJVMVGSRASQ-TZMCWYRMSA-N 2 1 248.374 1.255 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000223649527 487788648 /nfs/dbraw/zinc/78/86/48/487788648.db2.gz KWTCGFSWGBFBBW-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP CC[C@@H]1C[N@H+]([C@@H](C)COC)CC[C@H]1[NH3+] ZINC000251728601 487792733 /nfs/dbraw/zinc/79/27/33/487792733.db2.gz KHFKDFUCOOHEBR-HBNTYKKESA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cnccc2C)CC[C@H]1[NH3+] ZINC000251733248 487793531 /nfs/dbraw/zinc/79/35/31/487793531.db2.gz KMTSZHUHSKIESE-TZMCWYRMSA-N 2 1 233.359 1.949 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCC[NH3+] ZINC000414702202 487818797 /nfs/dbraw/zinc/81/87/97/487818797.db2.gz HTRCEOKNODABCM-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000414731837 487820194 /nfs/dbraw/zinc/82/01/94/487820194.db2.gz BCABIIKEPIVRGQ-MRVPVSSYSA-N 2 1 210.243 1.610 20 0 BDADMP COCC[N@@H+](CCC[NH3+])[C@@H]1CCCSC1 ZINC000414757729 487822379 /nfs/dbraw/zinc/82/23/79/487822379.db2.gz BKORGPAPBICPRJ-LLVKDONJSA-N 2 1 232.393 1.179 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000224122160 487822521 /nfs/dbraw/zinc/82/25/21/487822521.db2.gz RAUPOLPJXUIJNN-QNWHQSFQSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@H+]1C ZINC000224122160 487822522 /nfs/dbraw/zinc/82/25/22/487822522.db2.gz RAUPOLPJXUIJNN-QNWHQSFQSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699133 487829765 /nfs/dbraw/zinc/82/97/65/487829765.db2.gz RGLYGXPXPRZNHJ-UTUOFQBUSA-N 2 1 219.332 1.812 20 0 BDADMP BrC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000846777041 588287670 /nfs/dbraw/zinc/28/76/70/588287670.db2.gz CLFMYJYCPLRZNU-DTORHVGOSA-N 2 1 245.164 1.065 20 0 BDADMP BrC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000846777041 588287671 /nfs/dbraw/zinc/28/76/71/588287671.db2.gz CLFMYJYCPLRZNU-DTORHVGOSA-N 2 1 245.164 1.065 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400393453 528818979 /nfs/dbraw/zinc/81/89/79/528818979.db2.gz JIQDITIBCFBEGR-CHWSQXEVSA-N 2 1 227.396 1.447 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666623358 487847777 /nfs/dbraw/zinc/84/77/77/487847777.db2.gz OYTCHZAQXWIYOJ-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](C)COC)CC[C@H]1[NH3+] ZINC000253110287 487851138 /nfs/dbraw/zinc/85/11/38/487851138.db2.gz GAWKFIDWUXGHQU-QJPTWQEYSA-N 2 1 214.353 1.328 20 0 BDADMP CSCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000373143781 487861197 /nfs/dbraw/zinc/86/11/97/487861197.db2.gz XVQOKZWYHHDGDV-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000373143781 487861203 /nfs/dbraw/zinc/86/12/03/487861203.db2.gz XVQOKZWYHHDGDV-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000373143781 487861206 /nfs/dbraw/zinc/86/12/06/487861206.db2.gz XVQOKZWYHHDGDV-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000373143781 487861210 /nfs/dbraw/zinc/86/12/10/487861210.db2.gz XVQOKZWYHHDGDV-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP Cc1cn2c(n1)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000666699044 487861776 /nfs/dbraw/zinc/86/17/76/487861776.db2.gz CFFCDUCNLVGHPO-YPMHNXCESA-N 2 1 248.374 1.395 20 0 BDADMP Cc1cn2c(n1)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000666699044 487861781 /nfs/dbraw/zinc/86/17/81/487861781.db2.gz CFFCDUCNLVGHPO-YPMHNXCESA-N 2 1 248.374 1.395 20 0 BDADMP [NH3+]CCC[N@H+]1CCOCC2(CCCC2)C1 ZINC000666705481 487864273 /nfs/dbraw/zinc/86/42/73/487864273.db2.gz UGMJRJGDTBYMOG-UHFFFAOYSA-N 2 1 212.337 1.228 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666826008 487868765 /nfs/dbraw/zinc/86/87/65/487868765.db2.gz HPMRTGLQFXDWIK-SECBINFHSA-N 2 1 239.388 1.706 20 0 BDADMP CCSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129059251 487875794 /nfs/dbraw/zinc/87/57/94/487875794.db2.gz GMZFJCFKEPLYBU-VXGBXAGGSA-N 2 1 228.405 1.956 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1-n1cncn1 ZINC000666910461 487878299 /nfs/dbraw/zinc/87/82/99/487878299.db2.gz PIOUCTFERUHDCM-LBPRGKRZSA-N 2 1 245.330 1.094 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403813906 487889901 /nfs/dbraw/zinc/88/99/01/487889901.db2.gz LKFKCGZCJZYCQD-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000133024003 487908347 /nfs/dbraw/zinc/90/83/47/487908347.db2.gz PIEQDAZPTBSEOY-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000133024003 487908354 /nfs/dbraw/zinc/90/83/54/487908354.db2.gz PIEQDAZPTBSEOY-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000133024003 487908359 /nfs/dbraw/zinc/90/83/59/487908359.db2.gz PIEQDAZPTBSEOY-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000133024003 487908367 /nfs/dbraw/zinc/90/83/67/487908367.db2.gz PIEQDAZPTBSEOY-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C1 ZINC000666947808 487912589 /nfs/dbraw/zinc/91/25/89/487912589.db2.gz IRJSNLRGAOPMBI-ZDEQEGDKSA-N 2 1 243.370 1.006 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998210 487925317 /nfs/dbraw/zinc/92/53/17/487925317.db2.gz IKIFYYFOHSCZTG-GFCCVEGCSA-N 2 1 248.374 1.791 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]1 ZINC000667048434 487932855 /nfs/dbraw/zinc/93/28/55/487932855.db2.gz WLHAJFHYIUSGBN-RQJABVFESA-N 2 1 238.375 1.485 20 0 BDADMP FC1(F)C[C@]12CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652364401 487933972 /nfs/dbraw/zinc/93/39/72/487933972.db2.gz MUIURQIFUCKPNC-QWRGUYRKSA-N 2 1 230.302 1.717 20 0 BDADMP Cc1cccnc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569452102 322966504 /nfs/dbraw/zinc/96/65/04/322966504.db2.gz ODEHAEILEZLPNL-CHWSQXEVSA-N 2 1 233.359 1.868 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000564722324 323007375 /nfs/dbraw/zinc/00/73/75/323007375.db2.gz ASNPYVLETLSLNJ-GFCCVEGCSA-N 2 1 236.363 1.387 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000562902481 323033067 /nfs/dbraw/zinc/03/30/67/323033067.db2.gz WOCNBMONAHYRIH-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000562902481 323033068 /nfs/dbraw/zinc/03/30/68/323033068.db2.gz WOCNBMONAHYRIH-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000562902481 323033069 /nfs/dbraw/zinc/03/30/69/323033069.db2.gz WOCNBMONAHYRIH-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)[C@@H]1C1CC1 ZINC000570060695 323049040 /nfs/dbraw/zinc/04/90/40/323049040.db2.gz OHIXZIUWJZLTHL-OLZOCXBDSA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)[C@@H]1C1CC1 ZINC000570060695 323049043 /nfs/dbraw/zinc/04/90/43/323049043.db2.gz OHIXZIUWJZLTHL-OLZOCXBDSA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)[C@@H]1C1CC1 ZINC000570060695 323049044 /nfs/dbraw/zinc/04/90/44/323049044.db2.gz OHIXZIUWJZLTHL-OLZOCXBDSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000570060695 323049045 /nfs/dbraw/zinc/04/90/45/323049045.db2.gz OHIXZIUWJZLTHL-OLZOCXBDSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000570060695 323049046 /nfs/dbraw/zinc/04/90/46/323049046.db2.gz OHIXZIUWJZLTHL-OLZOCXBDSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+](CC)CCSC[C@H]1C[N@H+](C)CCO1 ZINC000563118301 323093838 /nfs/dbraw/zinc/09/38/38/323093838.db2.gz UCFSJXHTNRLGRD-GFCCVEGCSA-N 2 1 246.420 1.392 20 0 BDADMP CC[NH+](CC)CCSC[C@H]1C[N@@H+](C)CCO1 ZINC000563118301 323093839 /nfs/dbraw/zinc/09/38/39/323093839.db2.gz UCFSJXHTNRLGRD-GFCCVEGCSA-N 2 1 246.420 1.392 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cn1 ZINC000401662251 323106472 /nfs/dbraw/zinc/10/64/72/323106472.db2.gz YIWRFZOKFFXVPH-SNVBAGLBSA-N 2 1 248.305 1.848 20 0 BDADMP CC(C)OCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397392263 323108247 /nfs/dbraw/zinc/10/82/47/323108247.db2.gz NZGPOMKLSBCKGI-AGIUHOORSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000531727700 323111482 /nfs/dbraw/zinc/11/14/82/323111482.db2.gz GQAISRONKMGPFK-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000531727700 323111483 /nfs/dbraw/zinc/11/14/83/323111483.db2.gz GQAISRONKMGPFK-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000531727700 323111484 /nfs/dbraw/zinc/11/14/84/323111484.db2.gz GQAISRONKMGPFK-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC(NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000531727716 323111534 /nfs/dbraw/zinc/11/15/34/323111534.db2.gz JAYZHESMRIJNPG-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP Cc1ncccc1C[NH2+]CCC[NH+]1CCC1 ZINC000309873151 323119293 /nfs/dbraw/zinc/11/92/93/323119293.db2.gz RMVIJQNISBEATE-UHFFFAOYSA-N 2 1 219.332 1.575 20 0 BDADMP CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310427759 323131652 /nfs/dbraw/zinc/13/16/52/323131652.db2.gz RYZKLETVJQYVNK-OUCADQQQSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310427759 323131653 /nfs/dbraw/zinc/13/16/53/323131653.db2.gz RYZKLETVJQYVNK-OUCADQQQSA-N 2 1 242.407 1.856 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000571111891 323135838 /nfs/dbraw/zinc/13/58/38/323135838.db2.gz CJGNMHZXBHFLGY-PEBLQZBPSA-N 2 1 238.375 1.626 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571431253 323144716 /nfs/dbraw/zinc/14/47/16/323144716.db2.gz NEVUDSIWIMZHNX-UONOGXRCSA-N 2 1 241.423 1.694 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](CC1CC1)C1CCC1 ZINC000571578820 323148486 /nfs/dbraw/zinc/14/84/86/323148486.db2.gz YWNIWAMVWFVPJU-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CC1)C1CCC1 ZINC000571578820 323148487 /nfs/dbraw/zinc/14/84/87/323148487.db2.gz YWNIWAMVWFVPJU-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC1CC1)C1CCC1 ZINC000571578820 323148488 /nfs/dbraw/zinc/14/84/88/323148488.db2.gz YWNIWAMVWFVPJU-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC1CC1)C1CCC1 ZINC000571578820 323148489 /nfs/dbraw/zinc/14/84/89/323148489.db2.gz YWNIWAMVWFVPJU-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000305064678 323166935 /nfs/dbraw/zinc/16/69/35/323166935.db2.gz HMNYCHOQBYGULE-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000305064678 323166936 /nfs/dbraw/zinc/16/69/36/323166936.db2.gz HMNYCHOQBYGULE-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305064678 323166937 /nfs/dbraw/zinc/16/69/37/323166937.db2.gz HMNYCHOQBYGULE-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000305630844 323171157 /nfs/dbraw/zinc/17/11/57/323171157.db2.gz MLCMERUGQGCOQA-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000563729605 323176302 /nfs/dbraw/zinc/17/63/02/323176302.db2.gz FGQBEUZOYCBNNL-WDEREUQCSA-N 2 1 236.363 1.633 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000395120056 323187856 /nfs/dbraw/zinc/18/78/56/323187856.db2.gz GHAXBXIBFPAYCJ-UPJWGTAASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000395211269 323221530 /nfs/dbraw/zinc/22/15/30/323221530.db2.gz QBZWGUNXJPOIQD-OLZOCXBDSA-N 2 1 240.391 1.802 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000526119507 323230541 /nfs/dbraw/zinc/23/05/41/323230541.db2.gz UOJIPJVCVGCNFV-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000526119507 323230544 /nfs/dbraw/zinc/23/05/44/323230544.db2.gz UOJIPJVCVGCNFV-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]Cc1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000520810238 324110219 /nfs/dbraw/zinc/11/02/19/324110219.db2.gz JYLKATOAVQNECG-JTQLQIEISA-N 2 1 236.319 1.608 20 0 BDADMP [NH3+]Cc1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000520810238 324110225 /nfs/dbraw/zinc/11/02/25/324110225.db2.gz JYLKATOAVQNECG-JTQLQIEISA-N 2 1 236.319 1.608 20 0 BDADMP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000572510668 324137491 /nfs/dbraw/zinc/13/74/91/324137491.db2.gz LAMORFKILDFUEE-DGCLKSJQSA-N 2 1 222.332 1.861 20 0 BDADMP C[C@@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400346730 324166932 /nfs/dbraw/zinc/16/69/32/324166932.db2.gz ABKJOGIPJJUPHT-SFYZADRCSA-N 2 1 226.242 1.253 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)CC[N@@H+]1C ZINC000250074560 324204008 /nfs/dbraw/zinc/20/40/08/324204008.db2.gz OJLSYMWEEBOHQH-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)CC[N@H+]1C ZINC000250074560 324204014 /nfs/dbraw/zinc/20/40/14/324204014.db2.gz OJLSYMWEEBOHQH-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP c1cc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2[nH]1 ZINC000529536847 324329719 /nfs/dbraw/zinc/32/97/19/324329719.db2.gz NTMRNNNVMSZYMW-OKILXGFUSA-N 2 1 241.338 1.819 20 0 BDADMP CC[C@@H](C)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000128874455 324893900 /nfs/dbraw/zinc/89/39/00/324893900.db2.gz DCMNSDJOPNYSGQ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000133938846 325332468 /nfs/dbraw/zinc/33/24/68/325332468.db2.gz HPNZFZHZMCHCMC-DCAQKATOSA-N 2 1 216.394 1.810 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000133938846 325332470 /nfs/dbraw/zinc/33/24/70/325332470.db2.gz HPNZFZHZMCHCMC-DCAQKATOSA-N 2 1 216.394 1.810 20 0 BDADMP CC(C)CCC[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000564586177 325798048 /nfs/dbraw/zinc/79/80/48/325798048.db2.gz VVMVVGXASXKNCT-UHFFFAOYSA-N 2 1 242.407 1.859 20 0 BDADMP OCC1([NH2+]CC2CC2)CC[NH+](CCCF)CC1 ZINC000565046762 325850985 /nfs/dbraw/zinc/85/09/85/325850985.db2.gz BGKGSSLUKJKUCW-UHFFFAOYSA-N 2 1 244.354 1.173 20 0 BDADMP [NH3+]C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000565095832 325856536 /nfs/dbraw/zinc/85/65/36/325856536.db2.gz USYFULOUGLCXIC-UHFFFAOYSA-N 3 1 245.370 1.255 20 0 BDADMP C[C@]1(CN2CCC(CC[NH3+])CC2)CC[NH2+]C1 ZINC000566316918 326032810 /nfs/dbraw/zinc/03/28/10/326032810.db2.gz SUVBNRJYHSUOLI-ZDUSSCGKSA-N 2 1 225.380 1.047 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC12CCC2 ZINC000566412400 326038939 /nfs/dbraw/zinc/03/89/39/326038939.db2.gz FQVMDAXLRVLCAT-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC12CCC2 ZINC000566412400 326038942 /nfs/dbraw/zinc/03/89/42/326038942.db2.gz FQVMDAXLRVLCAT-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC12CCC2 ZINC000566412400 326038944 /nfs/dbraw/zinc/03/89/44/326038944.db2.gz FQVMDAXLRVLCAT-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC12CCC2 ZINC000566412400 326038946 /nfs/dbraw/zinc/03/89/46/326038946.db2.gz FQVMDAXLRVLCAT-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCN(C)c1ccccc1 ZINC000566412581 326041245 /nfs/dbraw/zinc/04/12/45/326041245.db2.gz HZACMSQRLOVWME-KGLIPLIRSA-N 2 1 247.386 1.934 20 0 BDADMP CC[N@@H+](CCCc1cncn1C)C1CC1 ZINC000566418567 326043329 /nfs/dbraw/zinc/04/33/29/326043329.db2.gz IUXPSKWKGFFEJI-UHFFFAOYSA-N 2 1 207.321 1.837 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000566418567 326043330 /nfs/dbraw/zinc/04/33/30/326043330.db2.gz IUXPSKWKGFFEJI-UHFFFAOYSA-N 2 1 207.321 1.837 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000566418567 326043332 /nfs/dbraw/zinc/04/33/32/326043332.db2.gz IUXPSKWKGFFEJI-UHFFFAOYSA-N 2 1 207.321 1.837 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566480978 326055809 /nfs/dbraw/zinc/05/58/09/326055809.db2.gz CXZWEHAVMWVGAI-YNEHKIRRSA-N 2 1 227.396 1.575 20 0 BDADMP C[C@@H]1OCC[C@]1(C)[NH2+]CCCc1c[nH+]cn1C ZINC000314172697 326294168 /nfs/dbraw/zinc/29/41/68/326294168.db2.gz OYWRIYCOPPNJTK-AAEUAGOBSA-N 2 1 237.347 1.510 20 0 BDADMP C[C@H]1CCC[C@H]1[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000568238553 326332404 /nfs/dbraw/zinc/33/24/04/326332404.db2.gz XKESUTKQDRLRCP-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000568499385 326359701 /nfs/dbraw/zinc/35/97/01/326359701.db2.gz PUUMMYRAYGFCPT-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235482028 487972334 /nfs/dbraw/zinc/97/23/34/487972334.db2.gz MFCMCFIFFFSELA-NEPJUHHUSA-N 2 1 222.336 1.003 20 0 BDADMP CCc1cc(NC[C@H](C)[NH+](C)C)nc(C)[nH+]1 ZINC000084082025 487996807 /nfs/dbraw/zinc/99/68/07/487996807.db2.gz KNHMLLOBWPGTGQ-VIFPVBQESA-N 2 1 222.336 1.709 20 0 BDADMP CC(C)CCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000165554488 488017167 /nfs/dbraw/zinc/01/71/67/488017167.db2.gz YBOZNZJMGUKOFS-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)CCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000165554488 488017173 /nfs/dbraw/zinc/01/71/73/488017173.db2.gz YBOZNZJMGUKOFS-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147449812 488024146 /nfs/dbraw/zinc/02/41/46/488024146.db2.gz YPIQQQOWGFMRJP-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000663510192 488055686 /nfs/dbraw/zinc/05/56/86/488055686.db2.gz CRAQNDPFPLYBFB-FZMZJTMJSA-N 2 1 218.344 1.741 20 0 BDADMP Cn1cnc2cc(C[N@@H+](C)CCC[NH3+])ccc21 ZINC000084516933 488056076 /nfs/dbraw/zinc/05/60/76/488056076.db2.gz KYXFXSAAHFZPIN-UHFFFAOYSA-N 2 1 232.331 1.354 20 0 BDADMP CN(C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@H]21)C1CC1 ZINC000355067439 488075721 /nfs/dbraw/zinc/07/57/21/488075721.db2.gz KJWPWVGIKHERAK-FPMFFAJLSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21)C1CC1 ZINC000355067439 488075730 /nfs/dbraw/zinc/07/57/30/488075730.db2.gz KJWPWVGIKHERAK-FPMFFAJLSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21)C1CC1 ZINC000355067439 488075733 /nfs/dbraw/zinc/07/57/33/488075733.db2.gz KJWPWVGIKHERAK-FPMFFAJLSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@H]21)C1CC1 ZINC000355067439 488075739 /nfs/dbraw/zinc/07/57/39/488075739.db2.gz KJWPWVGIKHERAK-FPMFFAJLSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@H]21)C1CC1 ZINC000355067439 488075743 /nfs/dbraw/zinc/07/57/43/488075743.db2.gz KJWPWVGIKHERAK-FPMFFAJLSA-N 2 1 238.375 1.316 20 0 BDADMP CN(C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000355067444 488076351 /nfs/dbraw/zinc/07/63/51/488076351.db2.gz KJWPWVGIKHERAK-UBHSHLNASA-N 2 1 238.375 1.316 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000355067444 488076355 /nfs/dbraw/zinc/07/63/55/488076355.db2.gz KJWPWVGIKHERAK-UBHSHLNASA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000355067444 488076358 /nfs/dbraw/zinc/07/63/58/488076358.db2.gz KJWPWVGIKHERAK-UBHSHLNASA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000355067444 488076362 /nfs/dbraw/zinc/07/63/62/488076362.db2.gz KJWPWVGIKHERAK-UBHSHLNASA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000355067444 488076365 /nfs/dbraw/zinc/07/63/65/488076365.db2.gz KJWPWVGIKHERAK-UBHSHLNASA-N 2 1 238.375 1.316 20 0 BDADMP CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037240175 488078219 /nfs/dbraw/zinc/07/82/19/488078219.db2.gz NKMJXVXXTXAAOL-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257705552 488085142 /nfs/dbraw/zinc/08/51/42/488085142.db2.gz RFIDONWAGMXELE-OAHLLOKOSA-N 2 1 245.370 1.700 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)n1C ZINC000667695032 488090600 /nfs/dbraw/zinc/09/06/00/488090600.db2.gz HLPCBPGHOHEJSD-JSGCOSHPSA-N 2 1 249.358 1.729 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCCOC[C@H]1C ZINC000683141320 488117599 /nfs/dbraw/zinc/11/75/99/488117599.db2.gz DZDUFLMXEYHLPS-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCOC[C@H]1C ZINC000683141320 488117606 /nfs/dbraw/zinc/11/76/06/488117606.db2.gz DZDUFLMXEYHLPS-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403457726 488123968 /nfs/dbraw/zinc/12/39/68/488123968.db2.gz ZOAUQUBLSFQAAP-YVECIDJPSA-N 2 1 208.349 1.716 20 0 BDADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403457726 488123978 /nfs/dbraw/zinc/12/39/78/488123978.db2.gz ZOAUQUBLSFQAAP-YVECIDJPSA-N 2 1 208.349 1.716 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCOC2)C1 ZINC000674302103 487554788 /nfs/dbraw/zinc/55/47/88/487554788.db2.gz JOQWJZCHVNKRAJ-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302103 487554791 /nfs/dbraw/zinc/55/47/91/487554791.db2.gz JOQWJZCHVNKRAJ-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302103 487554795 /nfs/dbraw/zinc/55/47/95/487554795.db2.gz JOQWJZCHVNKRAJ-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000381031910 487493121 /nfs/dbraw/zinc/49/31/21/487493121.db2.gz DMAPIFOYUSIELJ-DGCLKSJQSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C1CC1 ZINC000381031910 487493124 /nfs/dbraw/zinc/49/31/24/487493124.db2.gz DMAPIFOYUSIELJ-DGCLKSJQSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000381031910 487493126 /nfs/dbraw/zinc/49/31/26/487493126.db2.gz DMAPIFOYUSIELJ-DGCLKSJQSA-N 2 1 228.380 1.418 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000381079297 487494417 /nfs/dbraw/zinc/49/44/17/487494417.db2.gz QYDZFXGRVQLZRZ-STQMWFEESA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000381079297 487494418 /nfs/dbraw/zinc/49/44/18/487494418.db2.gz QYDZFXGRVQLZRZ-STQMWFEESA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381079297 487494419 /nfs/dbraw/zinc/49/44/19/487494419.db2.gz QYDZFXGRVQLZRZ-STQMWFEESA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H]1C ZINC000381084279 487495302 /nfs/dbraw/zinc/49/53/02/487495302.db2.gz SGQJPHXDTOHHRY-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000381084279 487495306 /nfs/dbraw/zinc/49/53/06/487495306.db2.gz SGQJPHXDTOHHRY-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000381084279 487495311 /nfs/dbraw/zinc/49/53/11/487495311.db2.gz SGQJPHXDTOHHRY-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000685452108 487525239 /nfs/dbraw/zinc/52/52/39/487525239.db2.gz YHNOQZFZHMKSFZ-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000685452108 487525241 /nfs/dbraw/zinc/52/52/41/487525241.db2.gz YHNOQZFZHMKSFZ-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C)C1 ZINC000178313347 487610431 /nfs/dbraw/zinc/61/04/31/487610431.db2.gz KNJSFKDHHQYPPF-KSTCHIGDSA-N 2 1 238.375 1.626 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250536330 487734308 /nfs/dbraw/zinc/73/43/08/487734308.db2.gz TVJQODNBKXKMBG-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CCC1(CC)C[N@@H+](CCC[NH3+])CCS1 ZINC000414765488 488084015 /nfs/dbraw/zinc/08/40/15/488084015.db2.gz ZXEKYHRKNIZCBL-UHFFFAOYSA-N 2 1 216.394 1.943 20 0 BDADMP Cc1cc[nH+]c(N[C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000676314262 487835732 /nfs/dbraw/zinc/83/57/32/487835732.db2.gz PLUVJQXVEAEZQS-NEPJUHHUSA-N 2 1 235.331 1.521 20 0 BDADMP Oc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682407351 487950153 /nfs/dbraw/zinc/95/01/53/487950153.db2.gz TYLBNMNDRUZKOC-GFCCVEGCSA-N 2 1 243.310 1.693 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228143 488134890 /nfs/dbraw/zinc/13/48/90/488134890.db2.gz VTQLBRKUVIUHSU-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000222851684 488134871 /nfs/dbraw/zinc/13/48/71/488134871.db2.gz SDNZJSOSCWOWPP-QJPTWQEYSA-N 2 1 212.337 1.143 20 0 BDADMP C[N@H+](CCc1cccnc1)CC(C)(C)[NH3+] ZINC000258840801 488138140 /nfs/dbraw/zinc/13/81/40/488138140.db2.gz MWBCWNLBCWKIHT-UHFFFAOYSA-N 2 1 207.321 1.293 20 0 BDADMP C[N@@H+](CCc1cccnc1)CC(C)(C)[NH3+] ZINC000258840801 488138144 /nfs/dbraw/zinc/13/81/44/488138144.db2.gz MWBCWNLBCWKIHT-UHFFFAOYSA-N 2 1 207.321 1.293 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667860362 488140087 /nfs/dbraw/zinc/14/00/87/488140087.db2.gz NGPVMLIVGYTJRS-MRVWCRGKSA-N 2 1 238.375 1.485 20 0 BDADMP c1nc2n(c1C[N@H+]1CC[C@@H]3COC[C@H]3C1)CCC2 ZINC000668705931 488145493 /nfs/dbraw/zinc/14/54/93/488145493.db2.gz OLRZQOAJYGRXJC-VXGBXAGGSA-N 2 1 247.342 1.298 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC[N@@H+]1C ZINC000667885437 488147681 /nfs/dbraw/zinc/14/76/81/488147681.db2.gz RDFDLWYRXITRNA-FMKGYKFTSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC[N@H+]1C ZINC000667885437 488147684 /nfs/dbraw/zinc/14/76/84/488147684.db2.gz RDFDLWYRXITRNA-FMKGYKFTSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1C ZINC000379889108 488154856 /nfs/dbraw/zinc/15/48/56/488154856.db2.gz ADRDSKJYWXIRQL-ZIAGYGMSSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@H]1C ZINC000379889108 488154859 /nfs/dbraw/zinc/15/48/59/488154859.db2.gz ADRDSKJYWXIRQL-ZIAGYGMSSA-N 2 1 242.407 1.952 20 0 BDADMP Cn1nccc1CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000230774825 488156651 /nfs/dbraw/zinc/15/66/51/488156651.db2.gz RNVZSZKFYUSAIY-GFCCVEGCSA-N 2 1 236.363 1.023 20 0 BDADMP COCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000379947074 488162589 /nfs/dbraw/zinc/16/25/89/488162589.db2.gz DEOPBGXKKMIFFR-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)n1C ZINC000667947391 488166613 /nfs/dbraw/zinc/16/66/13/488166613.db2.gz OOZKJVMVGSRASQ-GXTWGEPZSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)n1C ZINC000667947391 488166616 /nfs/dbraw/zinc/16/66/16/488166616.db2.gz OOZKJVMVGSRASQ-GXTWGEPZSA-N 2 1 248.374 1.255 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+]C1(CO)CCCCC1 ZINC000230973854 488176755 /nfs/dbraw/zinc/17/67/55/488176755.db2.gz OHCIHLZPFFYIGK-UHFFFAOYSA-N 2 1 228.380 1.659 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000273539801 488180374 /nfs/dbraw/zinc/18/03/74/488180374.db2.gz AYMAZPQTMFGUGI-BZPMIXESSA-N 2 1 247.342 1.557 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000351856751 488214252 /nfs/dbraw/zinc/21/42/52/488214252.db2.gz WATJLUKKLBQJAV-OLZOCXBDSA-N 2 1 247.386 1.922 20 0 BDADMP C[NH+](C)CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000683782366 488219814 /nfs/dbraw/zinc/21/98/14/488219814.db2.gz YOLAFWGQLATQKA-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000323765223 488221100 /nfs/dbraw/zinc/22/11/00/488221100.db2.gz WAVLDHZYJOZCNK-OLZOCXBDSA-N 2 1 228.380 1.466 20 0 BDADMP COC[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319713 490051575 /nfs/dbraw/zinc/05/15/75/490051575.db2.gz KZEQVZQOVVJRPG-CHWSQXEVSA-N 2 1 244.379 1.064 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@H](C)C1 ZINC000122340493 490133703 /nfs/dbraw/zinc/13/37/03/490133703.db2.gz LYZUVCCXMGRCLI-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H](C[NH3+])[NH2+]CC(C)(C)c1ccccc1 ZINC000162060195 490137111 /nfs/dbraw/zinc/13/71/11/490137111.db2.gz OPARSVWHASGLLT-LLVKDONJSA-N 2 1 206.333 1.901 20 0 BDADMP C[C@@H]1C[C@H](NCC(C)(C)[NH+](C)C)CC[N@H+]1C ZINC000129581238 490153652 /nfs/dbraw/zinc/15/36/52/490153652.db2.gz OHFDPZZSPDUQRH-VXGBXAGGSA-N 2 1 227.396 1.399 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401013326 490181081 /nfs/dbraw/zinc/18/10/81/490181081.db2.gz STTRZOQNWYCCHO-MBNYWOFBSA-N 3 1 237.391 1.058 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401013329 490181132 /nfs/dbraw/zinc/18/11/32/490181132.db2.gz STTRZOQNWYCCHO-YRGRVCCFSA-N 3 1 237.391 1.058 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000069890724 490191018 /nfs/dbraw/zinc/19/10/18/490191018.db2.gz YSDCGXRAHJKAOT-YNEHKIRRSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123518394 490240883 /nfs/dbraw/zinc/24/08/83/490240883.db2.gz OAOFDTHHYKEPHQ-UPJWGTAASA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123518394 490240889 /nfs/dbraw/zinc/24/08/89/490240889.db2.gz OAOFDTHHYKEPHQ-UPJWGTAASA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000381036283 490243877 /nfs/dbraw/zinc/24/38/77/490243877.db2.gz FHNTUEZNTUHSHG-CHWSQXEVSA-N 2 1 228.380 1.720 20 0 BDADMP Cc1cc(C)cc(CN(C)C[C@H]2C[NH2+]CCO2)c1 ZINC000125449083 490500881 /nfs/dbraw/zinc/50/08/81/490500881.db2.gz XVKLNHMMXDLPKM-OAHLLOKOSA-N 2 1 248.370 1.724 20 0 BDADMP Cc1cncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000227300542 491057072 /nfs/dbraw/zinc/05/70/72/491057072.db2.gz JXXSGZYMCBCUPA-CHWSQXEVSA-N 2 1 217.316 1.041 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000087479766 491088932 /nfs/dbraw/zinc/08/89/32/491088932.db2.gz GGXWZWYCFUVHNC-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP CCc1cc(NC[C@H]2CC[N@H+](C)C2)nc(C)[nH+]1 ZINC000088760158 491108269 /nfs/dbraw/zinc/10/82/69/491108269.db2.gz BZAXNOWQGUCDKF-LLVKDONJSA-N 2 1 234.347 1.711 20 0 BDADMP CCc1cc(NC[C@H]2CC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000088760158 491108270 /nfs/dbraw/zinc/10/82/70/491108270.db2.gz BZAXNOWQGUCDKF-LLVKDONJSA-N 2 1 234.347 1.711 20 0 BDADMP CCn1nc(C)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000307974774 491134989 /nfs/dbraw/zinc/13/49/89/491134989.db2.gz QBHFHKYYWLUQAO-STQMWFEESA-N 2 1 248.374 1.171 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(O)cc1 ZINC000132413564 491135898 /nfs/dbraw/zinc/13/58/98/491135898.db2.gz MUKSJVPIPXAIRB-UHFFFAOYSA-N 2 1 222.332 1.776 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164139862 535683834 /nfs/dbraw/zinc/68/38/34/535683834.db2.gz POBWIWIYIVEXOM-TUAOUCFPSA-N 2 1 228.405 1.799 20 0 BDADMP CCOC1CC(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000351758331 535753925 /nfs/dbraw/zinc/75/39/25/535753925.db2.gz PCGXEELNJLIFHX-HSBZDZAISA-N 2 1 240.391 1.685 20 0 BDADMP C[C@H]1CSCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892046103 582771712 /nfs/dbraw/zinc/77/17/12/582771712.db2.gz NLMGGZFYDFLLBC-NSHDSACASA-N 2 1 228.405 1.766 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335570840 536525637 /nfs/dbraw/zinc/52/56/37/536525637.db2.gz VTNYHRZSSFXXBT-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335570840 536525644 /nfs/dbraw/zinc/52/56/44/536525644.db2.gz VTNYHRZSSFXXBT-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335570840 536525649 /nfs/dbraw/zinc/52/56/49/536525649.db2.gz VTNYHRZSSFXXBT-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000471782153 528965558 /nfs/dbraw/zinc/96/55/58/528965558.db2.gz RHZHTGSMXWIDCQ-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400358291 528974920 /nfs/dbraw/zinc/97/49/20/528974920.db2.gz CAGNPFVPABBEOG-WDEREUQCSA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000252715107 535004176 /nfs/dbraw/zinc/00/41/76/535004176.db2.gz UQXNHCAEHLGUFP-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)(N)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632529 535199532 /nfs/dbraw/zinc/19/95/32/535199532.db2.gz GSYKQDFDMZPLSK-RYUDHWBXSA-N 2 1 225.380 1.045 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632529 535199537 /nfs/dbraw/zinc/19/95/37/535199537.db2.gz GSYKQDFDMZPLSK-RYUDHWBXSA-N 2 1 225.380 1.045 20 0 BDADMP CC(C)[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000261937000 535238604 /nfs/dbraw/zinc/23/86/04/535238604.db2.gz MFDGBZADELVYAV-UONOGXRCSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@@H]1C[N@H+](CC(C)(C)[NH3+])CCS1 ZINC000261532183 535263309 /nfs/dbraw/zinc/26/33/09/535263309.db2.gz JNSOXBAZOCYVBY-JTQLQIEISA-N 2 1 216.394 1.797 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CCS1 ZINC000261532183 535263313 /nfs/dbraw/zinc/26/33/13/535263313.db2.gz JNSOXBAZOCYVBY-JTQLQIEISA-N 2 1 216.394 1.797 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715679 535285183 /nfs/dbraw/zinc/28/51/83/535285183.db2.gz WJSBJMMLUQHNHA-FRRDWIJNSA-N 2 1 228.380 1.323 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCCOCC1 ZINC000221087762 535300322 /nfs/dbraw/zinc/30/03/22/535300322.db2.gz WBQZKGMFNDKTQR-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCCOCC1 ZINC000221087762 535300326 /nfs/dbraw/zinc/30/03/26/535300326.db2.gz WBQZKGMFNDKTQR-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP CC(C)C[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000261558317 535327363 /nfs/dbraw/zinc/32/73/63/535327363.db2.gz YCDNNLPAVPTBKJ-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2cocn2)CC1 ZINC000261755697 535459650 /nfs/dbraw/zinc/45/96/50/535459650.db2.gz CNORVRWTRQMRHY-UHFFFAOYSA-N 2 1 223.320 1.496 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168734110 535541380 /nfs/dbraw/zinc/54/13/80/535541380.db2.gz WWOYQSKTVRKWQE-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP CCN1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000168734110 535541383 /nfs/dbraw/zinc/54/13/83/535541383.db2.gz WWOYQSKTVRKWQE-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP CCOCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249296415 535550341 /nfs/dbraw/zinc/55/03/41/535550341.db2.gz DBRFQUSRCBKHJQ-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[N@@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261534160 535584448 /nfs/dbraw/zinc/58/44/48/535584448.db2.gz NSWIHJXJOAPJLB-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1O ZINC000348128890 535860303 /nfs/dbraw/zinc/86/03/03/535860303.db2.gz QNFHEFHYSIFJGI-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000348128890 535860310 /nfs/dbraw/zinc/86/03/10/535860310.db2.gz QNFHEFHYSIFJGI-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000348128890 535860315 /nfs/dbraw/zinc/86/03/15/535860315.db2.gz QNFHEFHYSIFJGI-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000168345477 535898027 /nfs/dbraw/zinc/89/80/27/535898027.db2.gz OXUPHBPJOGHRAG-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(C)(C)CC1 ZINC000070655336 535954893 /nfs/dbraw/zinc/95/48/93/535954893.db2.gz IQOUVVWSODCHTM-GFCCVEGCSA-N 2 1 228.380 1.467 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000168553545 536057293 /nfs/dbraw/zinc/05/72/93/536057293.db2.gz UEPNPCWFJMTQJU-ZYHUDNBSSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000168553545 536057299 /nfs/dbraw/zinc/05/72/99/536057299.db2.gz UEPNPCWFJMTQJU-ZYHUDNBSSA-N 2 1 222.336 1.072 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](F)C2)CC1 ZINC000335372753 536345047 /nfs/dbraw/zinc/34/50/47/536345047.db2.gz PAFKTPAUGGAYFL-PWSUYJOCSA-N 2 1 214.328 1.951 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000335655287 536345656 /nfs/dbraw/zinc/34/56/56/536345656.db2.gz CIHDUYCDOBNPHD-LLVKDONJSA-N 2 1 212.337 1.238 20 0 BDADMP C[N@H+](CCCO)C1CC[NH+](CCCCF)CC1 ZINC000352024494 536356821 /nfs/dbraw/zinc/35/68/21/536356821.db2.gz HBIIDHIFZIQNEJ-UHFFFAOYSA-N 2 1 246.370 1.515 20 0 BDADMP C[N@@H+](CCCO)C1CC[NH+](CCCCF)CC1 ZINC000352024494 536356824 /nfs/dbraw/zinc/35/68/24/536356824.db2.gz HBIIDHIFZIQNEJ-UHFFFAOYSA-N 2 1 246.370 1.515 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348148511 536371119 /nfs/dbraw/zinc/37/11/19/536371119.db2.gz IOGQOOWDSSKADR-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261539590 536693027 /nfs/dbraw/zinc/69/30/27/536693027.db2.gz AHHBSVPNXWQXSU-NOZJJQNGSA-N 2 1 235.331 1.178 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000179243432 536708195 /nfs/dbraw/zinc/70/81/95/536708195.db2.gz QCGBXINCNJPCQU-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000179243432 536708200 /nfs/dbraw/zinc/70/82/00/536708200.db2.gz QCGBXINCNJPCQU-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000179243432 536708204 /nfs/dbraw/zinc/70/82/04/536708204.db2.gz QCGBXINCNJPCQU-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351481780 536874729 /nfs/dbraw/zinc/87/47/29/536874729.db2.gz YFHJSOVEEIJCKE-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351481788 536874815 /nfs/dbraw/zinc/87/48/15/536874815.db2.gz YFHJSOVEEIJCKE-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000261533603 536896851 /nfs/dbraw/zinc/89/68/51/536896851.db2.gz LCFYKKOKHGZLGK-ZJUUUORDSA-N 2 1 208.305 1.521 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853097925 588719699 /nfs/dbraw/zinc/71/96/99/588719699.db2.gz DFNVWSOSTOTJFH-WCQYABFASA-N 2 1 237.347 1.045 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853097923 588719728 /nfs/dbraw/zinc/71/97/28/588719728.db2.gz DFNVWSOSTOTJFH-DGCLKSJQSA-N 2 1 237.347 1.045 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239286 588728173 /nfs/dbraw/zinc/72/81/73/588728173.db2.gz DKIUPTFSVDHRDD-JSGCOSHPSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)C1C[NH2+]C1 ZINC000854229601 588781032 /nfs/dbraw/zinc/78/10/32/588781032.db2.gz SDKIARQKIRWQEE-FZZIBODNSA-N 2 1 232.327 1.362 20 0 BDADMP CCOCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757126491 582500491 /nfs/dbraw/zinc/50/04/91/582500491.db2.gz FXQTWMYHFBOPQT-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757126491 582500493 /nfs/dbraw/zinc/50/04/93/582500493.db2.gz FXQTWMYHFBOPQT-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP Cc1ccc(CNC(=[NH2+])NC[C@H](C)[NH+](C)C)cc1 ZINC000848996635 582821276 /nfs/dbraw/zinc/82/12/76/582821276.db2.gz LJFPPFGVVZHLJO-LBPRGKRZSA-N 2 1 248.374 1.559 20 0 BDADMP CC[C@H](C[NH+]1CCCC1)Nc1nc(N)cc(C)[nH+]1 ZINC000892558726 582913498 /nfs/dbraw/zinc/91/34/98/582913498.db2.gz CYPFTUXTWRAAKD-LLVKDONJSA-N 2 1 249.362 1.654 20 0 BDADMP Cc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cnc1F ZINC000892762496 582977707 /nfs/dbraw/zinc/97/77/07/582977707.db2.gz AOSPPAGFPVOVIB-NSHDSACASA-N 2 1 239.338 1.959 20 0 BDADMP CC(=O)N[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852755580 583016798 /nfs/dbraw/zinc/01/67/98/583016798.db2.gz UNKMNBTXASQCNZ-CYBMUJFWSA-N 2 1 241.379 1.106 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000893510961 583155079 /nfs/dbraw/zinc/15/50/79/583155079.db2.gz LCSNHZHLZHRLBH-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@]1(C)COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893668085 583192044 /nfs/dbraw/zinc/19/20/44/583192044.db2.gz CQLGPJIOCWSTQZ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893908204 583249108 /nfs/dbraw/zinc/24/91/08/583249108.db2.gz OXGSGIRDXYJAQT-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CN(c2nccn3cncc23)C[C@H](C)[N@@H+]1C ZINC000893990420 583265869 /nfs/dbraw/zinc/26/58/69/583265869.db2.gz KHHNWCLGYGAVOX-PHIMTYICSA-N 2 1 245.330 1.258 20 0 BDADMP C[C@@H]1CN(c2nccn3cncc23)C[C@H](C)N1C ZINC000893990420 583265870 /nfs/dbraw/zinc/26/58/70/583265870.db2.gz KHHNWCLGYGAVOX-PHIMTYICSA-N 2 1 245.330 1.258 20 0 BDADMP C[C@@H]1CN(c2cc(N(C)C)ncn2)C[C@H](C)[N@@H+]1C ZINC000893990662 583265928 /nfs/dbraw/zinc/26/59/28/583265928.db2.gz LXIZCESOMSZLNP-PHIMTYICSA-N 2 1 249.362 1.071 20 0 BDADMP C[C@@H]1CN(c2cc(N(C)C)ncn2)C[C@H](C)N1C ZINC000893990662 583265929 /nfs/dbraw/zinc/26/59/29/583265929.db2.gz LXIZCESOMSZLNP-PHIMTYICSA-N 2 1 249.362 1.071 20 0 BDADMP Fc1cccc(/C=C\C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000894097799 583302753 /nfs/dbraw/zinc/30/27/53/583302753.db2.gz QDYASIOGKZJCSS-OHSUWHJDSA-N 2 1 246.329 1.990 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCOCC3)CC[C@H]21 ZINC000877744557 583345971 /nfs/dbraw/zinc/34/59/71/583345971.db2.gz VKOFIEHOBXNYKM-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCOCC3)CC[C@H]21 ZINC000877744557 583345974 /nfs/dbraw/zinc/34/59/74/583345974.db2.gz VKOFIEHOBXNYKM-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCOCC3)CC[C@H]21 ZINC000877744557 583345978 /nfs/dbraw/zinc/34/59/78/583345978.db2.gz VKOFIEHOBXNYKM-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCOCC3)CC[C@H]21 ZINC000877744557 583345980 /nfs/dbraw/zinc/34/59/80/583345980.db2.gz VKOFIEHOBXNYKM-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CCO[C@H](C(F)F)C2)CC1 ZINC000894266123 583401915 /nfs/dbraw/zinc/40/19/15/583401915.db2.gz ZSBJNLNUNWNHRB-NSHDSACASA-N 2 1 248.317 1.294 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](C(F)F)C2)CC1 ZINC000894266123 583401917 /nfs/dbraw/zinc/40/19/17/583401917.db2.gz ZSBJNLNUNWNHRB-NSHDSACASA-N 2 1 248.317 1.294 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H](F)C2)CC1 ZINC000894670665 583503088 /nfs/dbraw/zinc/50/30/88/583503088.db2.gz KGCMGETXVSRFTE-NSHDSACASA-N 2 1 200.301 1.372 20 0 BDADMP Cc1ncoc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000894984875 583564201 /nfs/dbraw/zinc/56/42/01/583564201.db2.gz MPLMURAMQCEJEK-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP C[C@H]1C[C@@H](NCc2cccnc2F)CC[N@H+]1C ZINC000794836541 583622390 /nfs/dbraw/zinc/62/23/90/583622390.db2.gz QSSAUZIFGSMYNP-JQWIXIFHSA-N 2 1 237.322 1.793 20 0 BDADMP CC1=NO[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000895306245 583643719 /nfs/dbraw/zinc/64/37/19/583643719.db2.gz BLTMTKHPCBJCPT-XQQFMLRXSA-N 2 1 237.347 1.368 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000895306245 583643720 /nfs/dbraw/zinc/64/37/20/583643720.db2.gz BLTMTKHPCBJCPT-XQQFMLRXSA-N 2 1 237.347 1.368 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000895306245 583643721 /nfs/dbraw/zinc/64/37/21/583643721.db2.gz BLTMTKHPCBJCPT-XQQFMLRXSA-N 2 1 237.347 1.368 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2CSC2)CC1(C)C ZINC000895423434 583673406 /nfs/dbraw/zinc/67/34/06/583673406.db2.gz JNVPUWXCAMYTOC-LLVKDONJSA-N 2 1 228.405 1.812 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000895587297 583694241 /nfs/dbraw/zinc/69/42/41/583694241.db2.gz ODQXEUVDJAYESO-YPMHNXCESA-N 2 1 242.363 1.260 20 0 BDADMP Cc1nc(C)c(C)c(N[C@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000895741038 583714094 /nfs/dbraw/zinc/71/40/94/583714094.db2.gz XEBSLTQNQUJWLL-PWSUYJOCSA-N 2 1 234.347 1.906 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000883442925 583816026 /nfs/dbraw/zinc/81/60/26/583816026.db2.gz VZJLSUWDAUBOLH-ZJUUUORDSA-N 2 1 239.750 1.950 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CS[C@@H](C)C1)C[NH+](C)C ZINC000896880157 583844848 /nfs/dbraw/zinc/84/48/48/583844848.db2.gz PCQYJHUNWDFSBF-QJPTWQEYSA-N 2 1 246.420 1.437 20 0 BDADMP CCO[C@H](C[NH2+]CCC[C@H]1CCO1)C[NH+](C)C ZINC000896880006 583845052 /nfs/dbraw/zinc/84/50/52/583845052.db2.gz KZRDKKYIPUZCOT-QWHCGFSZSA-N 2 1 244.379 1.112 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CSC[C@H]1C)C[NH+](C)C ZINC000896879916 583845124 /nfs/dbraw/zinc/84/51/24/583845124.db2.gz IRSKOUPCSGLAOK-UTUOFQBUSA-N 2 1 246.420 1.294 20 0 BDADMP C[C@H](C[NH2+]Cc1ccnc(F)c1)C[NH+](C)C ZINC000858167107 588936938 /nfs/dbraw/zinc/93/69/38/588936938.db2.gz KRGPSKIFPGXWFN-SNVBAGLBSA-N 2 1 225.311 1.508 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864453515 584005532 /nfs/dbraw/zinc/00/55/32/584005532.db2.gz XLPFVLOKWSOCHK-QWRGUYRKSA-N 2 1 226.368 1.239 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@@H+]1C ZINC000897813235 584047016 /nfs/dbraw/zinc/04/70/16/584047016.db2.gz IRMRAQZIRJTINQ-OSBMCDJTSA-N 2 1 236.359 1.235 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@H+]1C ZINC000897813235 584047017 /nfs/dbraw/zinc/04/70/17/584047017.db2.gz IRMRAQZIRJTINQ-OSBMCDJTSA-N 2 1 236.359 1.235 20 0 BDADMP C[C@H]1C[C@H](Nc2cc[nH+]c(CO)c2)C[N@H+]1C1CC1 ZINC000858441380 588954729 /nfs/dbraw/zinc/95/47/29/588954729.db2.gz PWRQIYLPZMTPQC-JQWIXIFHSA-N 2 1 247.342 1.611 20 0 BDADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000898203181 584090269 /nfs/dbraw/zinc/09/02/69/584090269.db2.gz GJNTYSFQVSPHLQ-HZSPNIEDSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000866666705 584121590 /nfs/dbraw/zinc/12/15/90/584121590.db2.gz VFPHVHBOZLIKCD-AVGNSLFASA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)Nc1cc[nH+]c(CO)c1 ZINC000858548819 588964666 /nfs/dbraw/zinc/96/46/66/588964666.db2.gz PMSJAZOZZDESNJ-NSHDSACASA-N 2 1 237.347 1.715 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C1CCCC1 ZINC000899912390 584253621 /nfs/dbraw/zinc/25/36/21/584253621.db2.gz JCFSQIGLUXDMIO-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C1CCCC1 ZINC000899912390 584253625 /nfs/dbraw/zinc/25/36/25/584253625.db2.gz JCFSQIGLUXDMIO-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C1CCCC1 ZINC000899912390 584253629 /nfs/dbraw/zinc/25/36/29/584253629.db2.gz JCFSQIGLUXDMIO-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1C1CCCC1 ZINC000899912390 584253632 /nfs/dbraw/zinc/25/36/32/584253632.db2.gz JCFSQIGLUXDMIO-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CCCNc1cc(N[C@@H]2C[NH2+]CC2(C)C)nc[nH+]1 ZINC000900021965 584267483 /nfs/dbraw/zinc/26/74/83/584267483.db2.gz OAAXIVXYTFRXJQ-SNVBAGLBSA-N 2 1 249.362 1.708 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321349 584552844 /nfs/dbraw/zinc/55/28/44/584552844.db2.gz UVNQKOCWKJPEDI-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321349 584552845 /nfs/dbraw/zinc/55/28/45/584552845.db2.gz UVNQKOCWKJPEDI-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346424 584558461 /nfs/dbraw/zinc/55/84/61/584558461.db2.gz LUBDOMOVEWUYMP-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346424 584558462 /nfs/dbraw/zinc/55/84/62/584558462.db2.gz LUBDOMOVEWUYMP-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000902405638 584573192 /nfs/dbraw/zinc/57/31/92/584573192.db2.gz JOWBBSKFYMKGBF-CYBMUJFWSA-N 2 1 232.327 1.851 20 0 BDADMP COc1ccc(C[C@H](C)[NH2+]CC2([NH3+])CC2)cn1 ZINC000902407780 584574774 /nfs/dbraw/zinc/57/47/74/584574774.db2.gz UKDNTJIELQPVET-JTQLQIEISA-N 2 1 235.331 1.102 20 0 BDADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CC1)CC2 ZINC000902415577 584589760 /nfs/dbraw/zinc/58/97/60/584589760.db2.gz JBRKPKSSKLDHQI-ZDUSSCGKSA-N 2 1 232.327 1.763 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccccc1N(C)C ZINC000902414274 584599516 /nfs/dbraw/zinc/59/95/16/584599516.db2.gz VDNALXQXNFAQRG-NSHDSACASA-N 2 1 233.359 1.895 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCO1 ZINC000902474102 584601990 /nfs/dbraw/zinc/60/19/90/584601990.db2.gz CKMBSZPCKCFBOB-RMPHRYRLSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@H+]1C1CC1 ZINC000902474487 584602089 /nfs/dbraw/zinc/60/20/89/584602089.db2.gz FPECVYALCYHSLE-GGFUIZRSSA-N 2 1 235.375 1.094 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000902454835 584609448 /nfs/dbraw/zinc/60/94/48/584609448.db2.gz IWXRYMOHMCUWHB-NXEZZACHSA-N 2 1 232.287 1.192 20 0 BDADMP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000902454778 584609836 /nfs/dbraw/zinc/60/98/36/584609836.db2.gz VLCAVPLIYDBTMY-XARVFOJUSA-N 2 1 234.343 1.036 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902459117 584611141 /nfs/dbraw/zinc/61/11/41/584611141.db2.gz XEXZINBMOYURHX-VEGXAWMVSA-N 2 1 208.349 1.763 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H](C)C1 ZINC000902466573 584613916 /nfs/dbraw/zinc/61/39/16/584613916.db2.gz LZPMZDLMKOMZNI-XVIXHAIJSA-N 2 1 237.391 1.199 20 0 BDADMP Nc1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000902503878 584621055 /nfs/dbraw/zinc/62/10/55/584621055.db2.gz YJZAMUNTITXRSS-SCZZXKLOSA-N 2 1 240.376 1.332 20 0 BDADMP O[C@@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000902506335 584622003 /nfs/dbraw/zinc/62/20/03/584622003.db2.gz YBJXJVBPRNRCGF-RYUDHWBXSA-N 2 1 224.348 1.022 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902482491 584623868 /nfs/dbraw/zinc/62/38/68/584623868.db2.gz LZUSOGRBJMZTKY-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902482492 584624242 /nfs/dbraw/zinc/62/42/42/584624242.db2.gz LZUSOGRBJMZTKY-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP Cc1ncccc1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000902514905 584629415 /nfs/dbraw/zinc/62/94/15/584629415.db2.gz VQUYZAAUIJMFDW-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000902515693 584629435 /nfs/dbraw/zinc/62/94/35/584629435.db2.gz YHDQPYSXQGWCBK-RYUDHWBXSA-N 2 1 244.342 1.612 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1OC)C[NH+](C)C ZINC000903224270 584738029 /nfs/dbraw/zinc/73/80/29/584738029.db2.gz SYZCZXFLWXNKAY-AGIUHOORSA-N 2 1 244.379 1.110 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCOc1ccccc1 ZINC000903427103 584761103 /nfs/dbraw/zinc/76/11/03/584761103.db2.gz SUTDLFOOWFFYCS-KGLIPLIRSA-N 2 1 248.370 1.853 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3ccc(O)cc3C2)C1 ZINC000903430853 584761393 /nfs/dbraw/zinc/76/13/93/584761393.db2.gz DXSZDQQPRUWVAU-SMDDNHRTSA-N 2 1 246.354 1.878 20 0 BDADMP COC[C@@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)C(C)C ZINC000903427278 584761418 /nfs/dbraw/zinc/76/14/18/584761418.db2.gz VULMVJPVBFVYIK-YPMHNXCESA-N 2 1 228.380 1.622 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3COCC[C@@H]32)C1 ZINC000903441457 584764046 /nfs/dbraw/zinc/76/40/46/584764046.db2.gz SZLQTTFFSMPUCQ-FQUUOJAGSA-N 2 1 238.375 1.615 20 0 BDADMP CC[C@H](C)[N@H+](CC(=O)OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457535 584764979 /nfs/dbraw/zinc/76/49/79/584764979.db2.gz WIYBPXFHELPBQC-TUAOUCFPSA-N 2 1 242.363 1.387 20 0 BDADMP COC[C@@H](C[NH+]1CCC2(CC[NH2+]2)CC1)C(C)C ZINC000903459394 584765993 /nfs/dbraw/zinc/76/59/93/584765993.db2.gz IFYQQYHNFUAHLT-CYBMUJFWSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000903459453 584766143 /nfs/dbraw/zinc/76/61/43/584766143.db2.gz TXSJTEPXPDJVOX-UTUOFQBUSA-N 2 1 219.332 1.588 20 0 BDADMP CC(C)[C@H]1CNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464271 584767194 /nfs/dbraw/zinc/76/71/94/584767194.db2.gz FWXOUTBNDCOUHH-FRRDWIJNSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464080 584767249 /nfs/dbraw/zinc/76/72/49/584767249.db2.gz YTUNUXHDOPTOQO-ZOBORPQBSA-N 2 1 240.391 1.325 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464945 584767450 /nfs/dbraw/zinc/76/74/50/584767450.db2.gz ZWKZIOGTECERQO-YVECIDJPSA-N 2 1 208.349 1.846 20 0 BDADMP COc1ccc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903464043 584767599 /nfs/dbraw/zinc/76/75/99/584767599.db2.gz XPVFHEVKPCXIAA-YPMHNXCESA-N 2 1 249.358 1.378 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903464043 584767601 /nfs/dbraw/zinc/76/76/01/584767601.db2.gz XPVFHEVKPCXIAA-YPMHNXCESA-N 2 1 249.358 1.378 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000903444278 584769228 /nfs/dbraw/zinc/76/92/28/584769228.db2.gz RMRDDTQAAUVAHF-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903447544 584770433 /nfs/dbraw/zinc/77/04/33/584770433.db2.gz XBMLHZYNVKDQRD-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000903451482 584771816 /nfs/dbraw/zinc/77/18/16/584771816.db2.gz AJHRSHITFOTVRX-BFHYXJOUSA-N 3 1 237.391 1.189 20 0 BDADMP COC[C@H](C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000903464590 584771948 /nfs/dbraw/zinc/77/19/48/584771948.db2.gz SRAPFVQBMYUROL-IHRRRGAJSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H](c1ncccn1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903450342 584772338 /nfs/dbraw/zinc/77/23/38/584772338.db2.gz UGEJTQJGZOJRBF-RYUDHWBXSA-N 2 1 234.347 1.598 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454713 584773130 /nfs/dbraw/zinc/77/31/30/584773130.db2.gz IGRYNVCXVUMNCD-OUAUKWLOSA-N 3 1 213.369 1.077 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000903454729 584773442 /nfs/dbraw/zinc/77/34/42/584773442.db2.gz IPEZMYYIJORHQG-KWCYVHTRSA-N 3 1 239.407 1.611 20 0 BDADMP COC[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C(C)C ZINC000903455117 584773509 /nfs/dbraw/zinc/77/35/09/584773509.db2.gz QEZRGBVPZPBAMN-VXGBXAGGSA-N 2 1 230.396 1.868 20 0 BDADMP C[C@@H](F)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471302 584775260 /nfs/dbraw/zinc/77/52/60/584775260.db2.gz IIPNYVSWRLEXAV-NXEZZACHSA-N 2 1 200.301 1.609 20 0 BDADMP c1cc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)ccn1 ZINC000903471278 584775613 /nfs/dbraw/zinc/77/56/13/584775613.db2.gz HRGRJPQGAXJYOF-AWEZNQCLSA-N 2 1 245.370 1.888 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000903471784 584775620 /nfs/dbraw/zinc/77/56/20/584775620.db2.gz MOVQDVKZZNGDOY-OLZOCXBDSA-N 2 1 238.375 1.676 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)nc1 ZINC000903472181 584776380 /nfs/dbraw/zinc/77/63/80/584776380.db2.gz XKDVUBONNBFEJY-CQSZACIVSA-N 2 1 245.370 1.807 20 0 BDADMP c1n[nH]cc1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481725 584778097 /nfs/dbraw/zinc/77/80/97/584778097.db2.gz KVTZAWFSFSKDGB-LBPRGKRZSA-N 2 1 234.347 1.217 20 0 BDADMP C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903481687 584778138 /nfs/dbraw/zinc/77/81/38/584778138.db2.gz JVYCAFKAQUFAND-AWEZNQCLSA-N 2 1 238.375 1.631 20 0 BDADMP C(COC1CC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481614 584778165 /nfs/dbraw/zinc/77/81/65/584778165.db2.gz HXCPYYNTWNWQCA-LBPRGKRZSA-N 2 1 224.348 1.430 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903482159 584778812 /nfs/dbraw/zinc/77/88/12/584778812.db2.gz YPEFWNZPSVJSTA-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903482159 584778813 /nfs/dbraw/zinc/77/88/13/584778813.db2.gz YPEFWNZPSVJSTA-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1CC[NH3+] ZINC000903498315 584780225 /nfs/dbraw/zinc/78/02/25/584780225.db2.gz DNUODGPAKZMYSG-ZYHUDNBSSA-N 2 1 249.358 1.969 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H](OC)C1CCC1 ZINC000903526517 584781641 /nfs/dbraw/zinc/78/16/41/584781641.db2.gz JRQGTAODZRTHDO-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H](OC)C1CCC1 ZINC000903526517 584781642 /nfs/dbraw/zinc/78/16/42/584781642.db2.gz JRQGTAODZRTHDO-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1N ZINC000903558874 584782900 /nfs/dbraw/zinc/78/29/00/584782900.db2.gz SFSKPGPOTJFZLK-NEPJUHHUSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)CN(CC[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903558874 584782901 /nfs/dbraw/zinc/78/29/01/584782901.db2.gz SFSKPGPOTJFZLK-NEPJUHHUSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903558874 584782902 /nfs/dbraw/zinc/78/29/02/584782902.db2.gz SFSKPGPOTJFZLK-NEPJUHHUSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903558874 584782903 /nfs/dbraw/zinc/78/29/03/584782903.db2.gz SFSKPGPOTJFZLK-NEPJUHHUSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903717552 584792524 /nfs/dbraw/zinc/79/25/24/584792524.db2.gz ROUROUUMKJIFMA-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903712691 584792969 /nfs/dbraw/zinc/79/29/69/584792969.db2.gz RGWNLOKJFMJVPV-AWEZNQCLSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903730441 584793072 /nfs/dbraw/zinc/79/30/72/584793072.db2.gz WHFFVTWEJIZAGE-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903747247 584794839 /nfs/dbraw/zinc/79/48/39/584794839.db2.gz QMBULJLJDSDCRQ-KBPBESRZSA-N 3 1 239.407 1.437 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903752910 584796263 /nfs/dbraw/zinc/79/62/63/584796263.db2.gz PZVQODPPLDHYHU-NEPJUHHUSA-N 2 1 242.363 1.117 20 0 BDADMP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000903743093 584796863 /nfs/dbraw/zinc/79/68/63/584796863.db2.gz IIDKSWALTPFHIC-UHFFFAOYSA-N 2 1 246.358 1.361 20 0 BDADMP C[N@H+](CC1=CCSC1)C[C@H]1CCCC[NH2+]C1 ZINC000903765722 584797514 /nfs/dbraw/zinc/79/75/14/584797514.db2.gz KMLUICOVDIRLNR-LBPRGKRZSA-N 2 1 240.416 1.981 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903762801 584797528 /nfs/dbraw/zinc/79/75/28/584797528.db2.gz DITBEDAAERIHJO-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP CCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903756360 584798808 /nfs/dbraw/zinc/79/88/08/584798808.db2.gz QLPHEFCLFNAFRT-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP FC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903781869 584799919 /nfs/dbraw/zinc/79/99/19/584799919.db2.gz CCRKTFMLJVZRIL-RWMBFGLXSA-N 2 1 242.338 1.046 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H]1CCCCO1 ZINC000903801515 584802231 /nfs/dbraw/zinc/80/22/31/584802231.db2.gz OBFFQOKQAUSINT-HZSPNIEDSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@@H]1CCCCO1 ZINC000903801515 584802232 /nfs/dbraw/zinc/80/22/32/584802232.db2.gz OBFFQOKQAUSINT-HZSPNIEDSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@]12C[N@@H+](CCOCC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825916 584804646 /nfs/dbraw/zinc/80/46/46/584804646.db2.gz FEHGVRRHMISDSC-RFQIPJPRSA-N 2 1 238.375 1.330 20 0 BDADMP C[NH2+]CCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000903827851 584805057 /nfs/dbraw/zinc/80/50/57/584805057.db2.gz YSZAPJJWIDNYKQ-RQJABVFESA-N 2 1 220.360 1.740 20 0 BDADMP CC(C)OCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903852680 584808409 /nfs/dbraw/zinc/80/84/09/584808409.db2.gz BSUSBPJWBCVGDD-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903852680 584808410 /nfs/dbraw/zinc/80/84/10/584808410.db2.gz BSUSBPJWBCVGDD-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903859540 584811331 /nfs/dbraw/zinc/81/13/31/584811331.db2.gz NSAGXZNFGOKVHE-ZUWCUPBKSA-N 2 1 220.360 1.846 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903859540 584811332 /nfs/dbraw/zinc/81/13/32/584811332.db2.gz NSAGXZNFGOKVHE-ZUWCUPBKSA-N 2 1 220.360 1.846 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCCCO1 ZINC000903861170 584811519 /nfs/dbraw/zinc/81/15/19/584811519.db2.gz WAKYMPGFNSXWEO-JHJVBQTASA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCCCO1 ZINC000903861170 584811521 /nfs/dbraw/zinc/81/15/21/584811521.db2.gz WAKYMPGFNSXWEO-JHJVBQTASA-N 2 1 224.348 1.369 20 0 BDADMP CC1(C)CO[C@H](C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903861275 584812280 /nfs/dbraw/zinc/81/22/80/584812280.db2.gz WTSOEJFAPMZLTR-SGMGOOAPSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903861275 584812282 /nfs/dbraw/zinc/81/22/82/584812282.db2.gz WTSOEJFAPMZLTR-SGMGOOAPSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869959 584814442 /nfs/dbraw/zinc/81/44/42/584814442.db2.gz LCQMXGSLPKSMMY-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP CCC[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879764 584817108 /nfs/dbraw/zinc/81/71/08/584817108.db2.gz JFMNXFMBPQVDSR-GFCCVEGCSA-N 2 1 238.379 1.188 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@@H]([NH3+])CC(F)F)CC[N@H+]1C ZINC000903895638 584819498 /nfs/dbraw/zinc/81/94/98/584819498.db2.gz PLBOLYHWQZNNJE-OUAUKWLOSA-N 2 1 249.349 1.383 20 0 BDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1O ZINC000903909293 584822027 /nfs/dbraw/zinc/82/20/27/584822027.db2.gz SVNLAMKSCBTAMS-APYLGABCSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]1C[C@H](O)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913642 584822741 /nfs/dbraw/zinc/82/27/41/584822741.db2.gz QNMURLLAADYNHU-FZMZJTMJSA-N 2 1 246.354 1.287 20 0 BDADMP [NH3+][C@@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918974 584823040 /nfs/dbraw/zinc/82/30/40/584823040.db2.gz JWYPDHYRMSGHCP-HNNXBMFYSA-N 3 1 245.370 1.159 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC[C@H]([NH3+])CC(F)F ZINC000903923144 584823835 /nfs/dbraw/zinc/82/38/35/584823835.db2.gz MNHOASYSHNPUSF-MNOVXSKESA-N 2 1 249.349 1.433 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903939275 584823884 /nfs/dbraw/zinc/82/38/84/584823884.db2.gz FGFVBAYEYZUQFY-UPJWGTAASA-N 3 1 239.407 1.624 20 0 BDADMP C[NH+](C)C1CCC([NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC000903929236 584824605 /nfs/dbraw/zinc/82/46/05/584824605.db2.gz CMNPJRVBAWUWIG-KPPDAEKUSA-N 3 1 249.349 1.431 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CC(F)F ZINC000903930514 584825151 /nfs/dbraw/zinc/82/51/51/584825151.db2.gz ZFEHXYCSCBBOFT-DOLQZWNJSA-N 2 1 218.291 1.747 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903917460 584826964 /nfs/dbraw/zinc/82/69/64/584826964.db2.gz LZWYJODYAAKWBJ-SCXOTVEISA-N 3 1 249.402 1.201 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903917460 584826965 /nfs/dbraw/zinc/82/69/65/584826965.db2.gz LZWYJODYAAKWBJ-SCXOTVEISA-N 3 1 249.402 1.201 20 0 BDADMP C[NH2+]CCCNCc1cccc2c1CC[NH2+]C2 ZINC000903916986 584827144 /nfs/dbraw/zinc/82/71/44/584827144.db2.gz JFTMWTHBORGLKK-UHFFFAOYSA-N 2 1 233.359 1.031 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903959173 584827694 /nfs/dbraw/zinc/82/76/94/584827694.db2.gz CKYWJIIBMFEJJP-CQSZACIVSA-N 3 1 237.391 1.191 20 0 BDADMP [NH3+]CC1(CN2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903959173 584827696 /nfs/dbraw/zinc/82/76/96/584827696.db2.gz CKYWJIIBMFEJJP-CQSZACIVSA-N 2 1 237.391 1.191 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959838 584827850 /nfs/dbraw/zinc/82/78/50/584827850.db2.gz PQTDOZSRZWUAQD-CQSZACIVSA-N 2 1 248.374 1.684 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959838 584827851 /nfs/dbraw/zinc/82/78/51/584827851.db2.gz PQTDOZSRZWUAQD-CQSZACIVSA-N 2 1 248.374 1.684 20 0 BDADMP C([N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000903959897 584827924 /nfs/dbraw/zinc/82/79/24/584827924.db2.gz RKQSKJRFNUYNDO-RRFJBIMHSA-N 3 1 249.402 1.062 20 0 BDADMP C([N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000903959897 584827925 /nfs/dbraw/zinc/82/79/25/584827925.db2.gz RKQSKJRFNUYNDO-RRFJBIMHSA-N 3 1 249.402 1.062 20 0 BDADMP CCC1([NH3+])CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000903946472 584829820 /nfs/dbraw/zinc/82/98/20/584829820.db2.gz SOMATYBSKWNKPX-UHFFFAOYSA-N 2 1 234.347 1.367 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000903953699 584831572 /nfs/dbraw/zinc/83/15/72/584831572.db2.gz JEPSASZRNGYPIY-YHQUGGNUSA-N 2 1 238.375 1.077 20 0 BDADMP Nc1ccnc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000903954775 584832272 /nfs/dbraw/zinc/83/22/72/584832272.db2.gz VJLBNYJVTFYQDH-GXSJLCMTSA-N 2 1 220.320 1.023 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000903978132 584832992 /nfs/dbraw/zinc/83/29/92/584832992.db2.gz GDWZHMKFOIGJCM-XJFOESAGSA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccn1 ZINC000903964705 584834130 /nfs/dbraw/zinc/83/41/30/584834130.db2.gz PBVFVCRVTPTFMB-MNOVXSKESA-N 2 1 205.305 1.027 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903986618 584835438 /nfs/dbraw/zinc/83/54/38/584835438.db2.gz NGXWEIYWPUQQNB-JHEVNIALSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903986619 584835645 /nfs/dbraw/zinc/83/56/45/584835645.db2.gz NGXWEIYWPUQQNB-MGAJPHDKSA-N 2 1 224.348 1.142 20 0 BDADMP CC1(C)C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1N ZINC000903987099 584836119 /nfs/dbraw/zinc/83/61/19/584836119.db2.gz XROZPFATUJMOSR-WVMKXHBISA-N 2 1 237.391 1.186 20 0 BDADMP CC1(C)CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC000903987099 584836121 /nfs/dbraw/zinc/83/61/21/584836121.db2.gz XROZPFATUJMOSR-WVMKXHBISA-N 2 1 237.391 1.186 20 0 BDADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC000904299248 584860318 /nfs/dbraw/zinc/86/03/18/584860318.db2.gz AFATWFPNDXCRQW-UHFFFAOYSA-N 3 1 233.359 1.329 20 0 BDADMP CN(Cc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC000904299248 584860320 /nfs/dbraw/zinc/86/03/20/584860320.db2.gz AFATWFPNDXCRQW-UHFFFAOYSA-N 2 1 233.359 1.329 20 0 BDADMP CCOC(=O)[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303687 584861864 /nfs/dbraw/zinc/86/18/64/584861864.db2.gz CVYKHZXQZYUMIB-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303760 584862102 /nfs/dbraw/zinc/86/21/02/584862102.db2.gz GNLFMNJQMABQND-TXEJJXNPSA-N 2 1 248.326 1.584 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccc(F)cc3C2)C1 ZINC000904321171 584864028 /nfs/dbraw/zinc/86/40/28/584864028.db2.gz VRLLTKYUPKIKSI-WJONMLJTSA-N 2 1 234.318 1.921 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCO)CCc2ccccc2)C1 ZINC000904320755 584864223 /nfs/dbraw/zinc/86/42/23/584864223.db2.gz OBYPEVGUOBQFOC-GASCZTMLSA-N 2 1 248.370 1.261 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325298 584865512 /nfs/dbraw/zinc/86/55/12/584865512.db2.gz VHXFEQGZKVCVKI-HZSPNIEDSA-N 3 1 239.407 1.530 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325298 584865513 /nfs/dbraw/zinc/86/55/13/584865513.db2.gz VHXFEQGZKVCVKI-HZSPNIEDSA-N 3 1 239.407 1.530 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325298 584865514 /nfs/dbraw/zinc/86/55/14/584865514.db2.gz VHXFEQGZKVCVKI-HZSPNIEDSA-N 3 1 239.407 1.530 20 0 BDADMP CN1CCCC[C@@H]1CC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325298 584865515 /nfs/dbraw/zinc/86/55/15/584865515.db2.gz VHXFEQGZKVCVKI-HZSPNIEDSA-N 2 1 239.407 1.530 20 0 BDADMP CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325298 584865516 /nfs/dbraw/zinc/86/55/16/584865516.db2.gz VHXFEQGZKVCVKI-HZSPNIEDSA-N 2 1 239.407 1.530 20 0 BDADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333986 584866548 /nfs/dbraw/zinc/86/65/48/584866548.db2.gz IJZUGDSKXIIRIA-GASCZTMLSA-N 3 1 247.386 1.575 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904334351 584866728 /nfs/dbraw/zinc/86/67/28/584866728.db2.gz UEWSJCKFBWYEGE-CQSZACIVSA-N 3 1 247.386 1.706 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1O ZINC000904341482 584867169 /nfs/dbraw/zinc/86/71/69/584867169.db2.gz RWKLUHKDQLUERY-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C2CC2)O1 ZINC000904342345 584867280 /nfs/dbraw/zinc/86/72/80/584867280.db2.gz DQYVGDGOYRRUQZ-YRRQLQLVSA-N 2 1 224.348 1.223 20 0 BDADMP C[N@@H+](CCCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904341351 584867340 /nfs/dbraw/zinc/86/73/40/584867340.db2.gz OCYMJTGAJOMLQG-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](OCC3CC3)C2)C1 ZINC000904341567 584867380 /nfs/dbraw/zinc/86/73/80/584867380.db2.gz PKWXPHQQSYHCGL-MJBXVCDLSA-N 2 1 238.375 1.615 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@]1(C)CO ZINC000904341528 584867554 /nfs/dbraw/zinc/86/75/54/584867554.db2.gz UCDXAQVADDDFGO-JSGCOSHPSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@]1(C)CO ZINC000904341528 584867555 /nfs/dbraw/zinc/86/75/55/584867555.db2.gz UCDXAQVADDDFGO-JSGCOSHPSA-N 2 1 242.407 1.987 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1O ZINC000904345295 584868467 /nfs/dbraw/zinc/86/84/67/584868467.db2.gz CRWAYIOLVCZLSP-AGIUHOORSA-N 2 1 242.407 1.843 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1O ZINC000904345295 584868469 /nfs/dbraw/zinc/86/84/69/584868469.db2.gz CRWAYIOLVCZLSP-AGIUHOORSA-N 2 1 242.407 1.843 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000904350504 584868994 /nfs/dbraw/zinc/86/89/94/584868994.db2.gz NKSUELOLIBTYFN-SYQHCUMBSA-N 3 1 237.391 1.045 20 0 BDADMP CC(C)C[C@H](CN)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904352772 584869964 /nfs/dbraw/zinc/86/99/64/584869964.db2.gz AEGKTXPKQHKHCG-CQSZACIVSA-N 2 1 235.375 1.608 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904352772 584869965 /nfs/dbraw/zinc/86/99/65/584869965.db2.gz AEGKTXPKQHKHCG-CQSZACIVSA-N 3 1 235.375 1.608 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNC[C@@H]2c2ccccc2)C1 ZINC000904371679 584873012 /nfs/dbraw/zinc/87/30/12/584873012.db2.gz QVCUMFFZMGSYIT-VHDGCEQUSA-N 2 1 245.370 1.370 20 0 BDADMP [NH3+][C@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000904371679 584873013 /nfs/dbraw/zinc/87/30/13/584873013.db2.gz QVCUMFFZMGSYIT-VHDGCEQUSA-N 2 1 245.370 1.370 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904373550 584873678 /nfs/dbraw/zinc/87/36/78/584873678.db2.gz SYNLNTRVAVDNEE-FHUSYTEZSA-N 3 1 225.380 1.029 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)C1 ZINC000904373210 584873682 /nfs/dbraw/zinc/87/36/82/584873682.db2.gz CJFKADASNBNJCQ-YIYPIFLZSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000904389155 584875006 /nfs/dbraw/zinc/87/50/06/584875006.db2.gz SHVLALXITMNNSA-MCIONIFRSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1noc([C@H](C)[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904376459 584876285 /nfs/dbraw/zinc/87/62/85/584876285.db2.gz SSNGWLKAKDHADT-UJNFCWOMSA-N 2 1 224.308 1.108 20 0 BDADMP CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904384026 584877257 /nfs/dbraw/zinc/87/72/57/584877257.db2.gz GMMQHLNTZBHWBS-TUAOUCFPSA-N 2 1 240.347 1.045 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904383928 584877316 /nfs/dbraw/zinc/87/73/16/584877316.db2.gz DDWVXYZLCTUESB-OCCSQVGLSA-N 2 1 240.391 1.469 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904383929 584877365 /nfs/dbraw/zinc/87/73/65/584877365.db2.gz DDWVXYZLCTUESB-TZMCWYRMSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)([NH3+])CC[NH2+]Cc1nccn1C1CC1 ZINC000904385840 584877663 /nfs/dbraw/zinc/87/76/63/584877663.db2.gz HIYDYEREJRZSGD-UHFFFAOYSA-N 2 1 222.336 1.435 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000904405634 584878746 /nfs/dbraw/zinc/87/87/46/584878746.db2.gz LTGPCACHEQHMFT-GFCCVEGCSA-N 2 1 245.370 1.825 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407112 584879081 /nfs/dbraw/zinc/87/90/81/584879081.db2.gz NJGQMKMVVWFLDN-VXGBXAGGSA-N 3 1 213.369 1.031 20 0 BDADMP CC(C)C[C@@H](N)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407112 584879082 /nfs/dbraw/zinc/87/90/82/584879082.db2.gz NJGQMKMVVWFLDN-VXGBXAGGSA-N 2 1 213.369 1.031 20 0 BDADMP CC(C)C[C@@H](N)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407112 584879083 /nfs/dbraw/zinc/87/90/83/584879083.db2.gz NJGQMKMVVWFLDN-VXGBXAGGSA-N 2 1 213.369 1.031 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000904407330 584879126 /nfs/dbraw/zinc/87/91/26/584879126.db2.gz TYFUSASIPDRIEX-NSHDSACASA-N 2 1 210.321 1.004 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1C[NH3+] ZINC000904410922 584879278 /nfs/dbraw/zinc/87/92/78/584879278.db2.gz RSEHBIOTRIALNU-WFASDCNBSA-N 3 1 247.386 1.562 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C2CC2)CC[N@@H+]1C ZINC000838865005 585076283 /nfs/dbraw/zinc/07/62/83/585076283.db2.gz WZSWNHXETGFNTP-RTXFEEFZSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C2CC2)CC[N@H+]1C ZINC000838865005 585076284 /nfs/dbraw/zinc/07/62/84/585076284.db2.gz WZSWNHXETGFNTP-RTXFEEFZSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C2CC2)CC[NH+]1C ZINC000838865005 585076285 /nfs/dbraw/zinc/07/62/85/585076285.db2.gz WZSWNHXETGFNTP-RTXFEEFZSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)C2CC2)CC[NH+]1C ZINC000838865005 585076286 /nfs/dbraw/zinc/07/62/86/585076286.db2.gz WZSWNHXETGFNTP-RTXFEEFZSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C2CC2)CC[N@@H+]1C ZINC000838865003 585076359 /nfs/dbraw/zinc/07/63/59/585076359.db2.gz WZSWNHXETGFNTP-KGYLQXTDSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C2CC2)CC[N@H+]1C ZINC000838865003 585076360 /nfs/dbraw/zinc/07/63/60/585076360.db2.gz WZSWNHXETGFNTP-KGYLQXTDSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C2CC2)CC[NH+]1C ZINC000838865003 585076361 /nfs/dbraw/zinc/07/63/61/585076361.db2.gz WZSWNHXETGFNTP-KGYLQXTDSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C2CC2)CC[NH+]1C ZINC000838865003 585076362 /nfs/dbraw/zinc/07/63/62/585076362.db2.gz WZSWNHXETGFNTP-KGYLQXTDSA-N 2 1 226.364 1.172 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000755071942 585293830 /nfs/dbraw/zinc/29/38/30/585293830.db2.gz IOLVPMTZYBKSAB-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000755071942 585293831 /nfs/dbraw/zinc/29/38/31/585293831.db2.gz IOLVPMTZYBKSAB-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000761079510 585406798 /nfs/dbraw/zinc/40/67/98/585406798.db2.gz ZXMDERBLMWPIFG-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000761079510 585406799 /nfs/dbraw/zinc/40/67/99/585406799.db2.gz ZXMDERBLMWPIFG-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000761079510 585406800 /nfs/dbraw/zinc/40/68/00/585406800.db2.gz ZXMDERBLMWPIFG-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]1CC[N@@H+](CCF)C[C@@H]1n1ccnc1 ZINC000767434957 585519912 /nfs/dbraw/zinc/51/99/12/585519912.db2.gz ROPUCCBCFRCIOC-QWRGUYRKSA-N 2 1 211.284 1.736 20 0 BDADMP C[C@H]1CCN(CCF)C[C@@H]1n1ccnc1 ZINC000767434957 585519913 /nfs/dbraw/zinc/51/99/13/585519913.db2.gz ROPUCCBCFRCIOC-QWRGUYRKSA-N 2 1 211.284 1.736 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCOC2CCC2)[C@H](C)C1 ZINC000777119739 585708724 /nfs/dbraw/zinc/70/87/24/585708724.db2.gz CQQROETWMFFOTO-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@H](NCc2ccc(F)nc2)CC[N@H+]1C ZINC000778172377 585726525 /nfs/dbraw/zinc/72/65/25/585726525.db2.gz IOWKMGIRSLYLOZ-CMPLNLGQSA-N 2 1 237.322 1.793 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)CCN1C ZINC000778172377 585726526 /nfs/dbraw/zinc/72/65/26/585726526.db2.gz IOWKMGIRSLYLOZ-CMPLNLGQSA-N 2 1 237.322 1.793 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000779343406 585752235 /nfs/dbraw/zinc/75/22/35/585752235.db2.gz YBTOYEMPWITPQI-MGPQQGTHSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH+](C)CC(OC)OC)C[C@H]1C ZINC000781898108 585804825 /nfs/dbraw/zinc/80/48/25/585804825.db2.gz GUEHDHFKBHOTDQ-NEPJUHHUSA-N 2 1 244.379 1.410 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC(OC)OC)C[C@H]1C ZINC000781898108 585804826 /nfs/dbraw/zinc/80/48/26/585804826.db2.gz GUEHDHFKBHOTDQ-NEPJUHHUSA-N 2 1 244.379 1.410 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC(OC)OC)C[C@H]1C ZINC000781898108 585804827 /nfs/dbraw/zinc/80/48/27/585804827.db2.gz GUEHDHFKBHOTDQ-NEPJUHHUSA-N 2 1 244.379 1.410 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(OC)OC)C[C@H]1C ZINC000781898108 585804828 /nfs/dbraw/zinc/80/48/28/585804828.db2.gz GUEHDHFKBHOTDQ-NEPJUHHUSA-N 2 1 244.379 1.410 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000786671206 585895899 /nfs/dbraw/zinc/89/58/99/585895899.db2.gz KZPGABPVBZAOKV-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000786671206 585895900 /nfs/dbraw/zinc/89/59/00/585895900.db2.gz KZPGABPVBZAOKV-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788585859 585927541 /nfs/dbraw/zinc/92/75/41/585927541.db2.gz XAAUNVAVTVCQBV-SNVBAGLBSA-N 2 1 246.314 1.643 20 0 BDADMP C[N@H+]1CC[C@H](NCc2ccon2)[C@@H]2CCC[C@H]21 ZINC000796788365 586112753 /nfs/dbraw/zinc/11/27/53/586112753.db2.gz JLSZVDOMDRRHCI-RWMBFGLXSA-N 2 1 235.331 1.637 20 0 BDADMP C[C@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178575 586165380 /nfs/dbraw/zinc/16/53/80/586165380.db2.gz VSROMGNXVONKIL-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000806138182 586404494 /nfs/dbraw/zinc/40/44/94/586404494.db2.gz SDUXXGRFPLEDFX-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000806138182 586404497 /nfs/dbraw/zinc/40/44/97/586404497.db2.gz SDUXXGRFPLEDFX-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000817903870 586831320 /nfs/dbraw/zinc/83/13/20/586831320.db2.gz MUPZFLIJOSUCBO-XQQFMLRXSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)C1 ZINC000817888104 586832285 /nfs/dbraw/zinc/83/22/85/586832285.db2.gz APGVWMCURJWDGY-QEJZJMRPSA-N 2 1 247.386 1.239 20 0 BDADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000817897162 586834962 /nfs/dbraw/zinc/83/49/62/586834962.db2.gz GJTQOTPHOZWMPD-WRWGMCAJSA-N 2 1 228.405 1.858 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912350 586838472 /nfs/dbraw/zinc/83/84/72/586838472.db2.gz GJFOLGAYJMAQTG-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000817918924 586840089 /nfs/dbraw/zinc/84/00/89/586840089.db2.gz ZPKDKAWMARJEMY-ZYHUDNBSSA-N 2 1 237.322 1.698 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1CCC[NH2+]1 ZINC000817924774 586841206 /nfs/dbraw/zinc/84/12/06/586841206.db2.gz XOVHSNACCVRKJE-WOPDTQHZSA-N 2 1 210.321 1.409 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC=CO1)[C@H]1CCCC[NH2+]1 ZINC000817923803 586841584 /nfs/dbraw/zinc/84/15/84/586841584.db2.gz IPLMRXXAGOMZHX-JHJVBQTASA-N 2 1 224.348 1.799 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1CCC[NH2+]1 ZINC000817924773 586841772 /nfs/dbraw/zinc/84/17/72/586841772.db2.gz XOVHSNACCVRKJE-UTUOFQBUSA-N 2 1 210.321 1.409 20 0 BDADMP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000817949632 586847117 /nfs/dbraw/zinc/84/71/17/586847117.db2.gz LCQKKHUJDAVYSL-JHJVBQTASA-N 2 1 208.349 1.907 20 0 BDADMP C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948174 586847289 /nfs/dbraw/zinc/84/72/89/586847289.db2.gz FWGLAOFPBODLAZ-DOMZBBRYSA-N 2 1 247.386 1.275 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+]CCCCCCC[NH3+] ZINC000818340173 586887117 /nfs/dbraw/zinc/88/71/17/586887117.db2.gz JDZHEFQWCLEFGB-CHWSQXEVSA-N 2 1 227.396 1.755 20 0 BDADMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](C)O ZINC000818971376 586918055 /nfs/dbraw/zinc/91/80/55/586918055.db2.gz VFIFLIDRSOLYTF-SNVBAGLBSA-N 2 1 246.314 1.046 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1(Cl)Cl ZINC000827457978 587381700 /nfs/dbraw/zinc/38/17/00/587381700.db2.gz NFTMKZOODURWOB-AEJSXWLSSA-N 2 1 249.185 1.722 20 0 BDADMP C[C@@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1(Cl)Cl ZINC000827457978 587381702 /nfs/dbraw/zinc/38/17/02/587381702.db2.gz NFTMKZOODURWOB-AEJSXWLSSA-N 2 1 249.185 1.722 20 0 BDADMP C[C@H](O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443941 587497693 /nfs/dbraw/zinc/49/76/93/587497693.db2.gz LWMSCKODYKBFJU-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCC(C)(C)[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000832564030 587666377 /nfs/dbraw/zinc/66/63/77/587666377.db2.gz AQHLUNADOOYNED-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000832564030 587666379 /nfs/dbraw/zinc/66/63/79/587666379.db2.gz AQHLUNADOOYNED-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000832726321 587679893 /nfs/dbraw/zinc/67/98/93/587679893.db2.gz OEENKDDHYXLACY-LBPRGKRZSA-N 2 1 243.395 1.304 20 0 BDADMP c1ccc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000836694242 587835857 /nfs/dbraw/zinc/83/58/57/587835857.db2.gz FLOIGXXENAJJTG-CQSZACIVSA-N 2 1 245.370 1.871 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](C)CN1C ZINC000842476916 588029950 /nfs/dbraw/zinc/02/99/50/588029950.db2.gz XBTAFWUMHLZARX-KGLIPLIRSA-N 2 1 241.423 1.920 20 0 BDADMP C[NH2+]C[C@H](C)c1noc(C[N@H+](C)C(C)C)n1 ZINC000842583510 588044260 /nfs/dbraw/zinc/04/42/60/588044260.db2.gz VAXIDSJDINYEPR-VIFPVBQESA-N 2 1 226.324 1.233 20 0 BDADMP C[NH2+]C[C@H](C)c1noc(C[N@@H+](C)C(C)C)n1 ZINC000842583510 588044262 /nfs/dbraw/zinc/04/42/62/588044262.db2.gz VAXIDSJDINYEPR-VIFPVBQESA-N 2 1 226.324 1.233 20 0 BDADMP CC(C)[N@H+](C)Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842666623 588050629 /nfs/dbraw/zinc/05/06/29/588050629.db2.gz DDJLBMNVUYPAIM-SNVBAGLBSA-N 2 1 238.335 1.377 20 0 BDADMP CC(C)[N@@H+](C)Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842666623 588050630 /nfs/dbraw/zinc/05/06/30/588050630.db2.gz DDJLBMNVUYPAIM-SNVBAGLBSA-N 2 1 238.335 1.377 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC000843054387 588077133 /nfs/dbraw/zinc/07/71/33/588077133.db2.gz WSJNAYOJXMLKEB-AGUYFDCRSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC1CC[NH2+]CC1 ZINC000843054387 588077134 /nfs/dbraw/zinc/07/71/34/588077134.db2.gz WSJNAYOJXMLKEB-AGUYFDCRSA-N 2 1 237.391 1.330 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000843059682 588077509 /nfs/dbraw/zinc/07/75/09/588077509.db2.gz PMZHWHZHKVUOMW-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843054829 588077553 /nfs/dbraw/zinc/07/75/53/588077553.db2.gz JSMRNBFNQBJVLZ-FEPKRQSRSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843054831 588078037 /nfs/dbraw/zinc/07/80/37/588078037.db2.gz JSMRNBFNQBJVLZ-KBHBFKLGSA-N 3 1 239.407 1.576 20 0 BDADMP CCCCCC[N@H+](C)Cc1nc(CC[NH3+])no1 ZINC000843131886 588085758 /nfs/dbraw/zinc/08/57/58/588085758.db2.gz VTRBIXQQVLBYCI-UHFFFAOYSA-N 2 1 240.351 1.583 20 0 BDADMP CCCCCC[N@@H+](C)Cc1nc(CC[NH3+])no1 ZINC000843131886 588085759 /nfs/dbraw/zinc/08/57/59/588085759.db2.gz VTRBIXQQVLBYCI-UHFFFAOYSA-N 2 1 240.351 1.583 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CC[N@H+]1C ZINC000843342416 588101479 /nfs/dbraw/zinc/10/14/79/588101479.db2.gz QLAILXKWLCADKH-OLZOCXBDSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CCN1C ZINC000843342416 588101481 /nfs/dbraw/zinc/10/14/81/588101481.db2.gz QLAILXKWLCADKH-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843353066 588103306 /nfs/dbraw/zinc/10/33/06/588103306.db2.gz APVGWOHUMJFUOL-UONOGXRCSA-N 3 1 241.423 1.955 20 0 BDADMP CC(C)[C@H]1C[N@H+](CCCCCCC[NH3+])CCN1 ZINC000843376079 588105166 /nfs/dbraw/zinc/10/51/66/588105166.db2.gz UWXLJBJSWFQNKD-CQSZACIVSA-N 2 1 241.423 1.825 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCCCCCC[NH3+])CCN1 ZINC000843376079 588105167 /nfs/dbraw/zinc/10/51/67/588105167.db2.gz UWXLJBJSWFQNKD-CQSZACIVSA-N 2 1 241.423 1.825 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC2(CCCC2)C1 ZINC000846218853 588259665 /nfs/dbraw/zinc/25/96/65/588259665.db2.gz YYJBZAZCJNAQTJ-GFCCVEGCSA-N 2 1 226.364 1.223 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000846217178 588260354 /nfs/dbraw/zinc/26/03/54/588260354.db2.gz CAMGDFZQSQNDID-WFASDCNBSA-N 2 1 248.370 1.576 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](C)CN1C ZINC000846220326 588261065 /nfs/dbraw/zinc/26/10/65/588261065.db2.gz FZDTWGMQXHDYHB-STQMWFEESA-N 2 1 227.396 1.530 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000846220344 588261086 /nfs/dbraw/zinc/26/10/86/588261086.db2.gz GOCVQCWPAMRASI-AWEZNQCLSA-N 3 1 239.407 1.581 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCCCCC[NH3+] ZINC000846220325 588261148 /nfs/dbraw/zinc/26/11/48/588261148.db2.gz FZDTWGMQXHDYHB-QWHCGFSZSA-N 2 1 227.396 1.530 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCCCC[NH3+] ZINC000846221167 588261169 /nfs/dbraw/zinc/26/11/69/588261169.db2.gz ULKUPBSCWIYYNL-UPJWGTAASA-N 3 1 227.396 1.482 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@H]1C[C@H]1c1ccccc1 ZINC000846222013 588261284 /nfs/dbraw/zinc/26/12/84/588261284.db2.gz KHCDUOHRJVKMOI-STQMWFEESA-N 2 1 204.317 1.823 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846224573 588261524 /nfs/dbraw/zinc/26/15/24/588261524.db2.gz RDGRONZOTYAJQR-KBPBESRZSA-N 2 1 239.407 1.566 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000846708869 588283578 /nfs/dbraw/zinc/28/35/78/588283578.db2.gz WZPFNJWLLMWWBE-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP C[C@H](O)C[N@@H+](CCCCCCC[NH3+])C1CC1 ZINC000848599797 588401546 /nfs/dbraw/zinc/40/15/46/588401546.db2.gz DHOGMLSAQQWHOK-LBPRGKRZSA-N 2 1 228.380 1.741 20 0 BDADMP CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848987278 588426266 /nfs/dbraw/zinc/42/62/66/588426266.db2.gz WXOMLJACCBEQHJ-WDEREUQCSA-N 2 1 226.368 1.383 20 0 BDADMP C[C@@H]1CCCN(C(=[NH2+])NCC[N@H+](C)C2CC2)C1 ZINC000848997445 588429585 /nfs/dbraw/zinc/42/95/85/588429585.db2.gz JAIPUQIMPXYYNL-LLVKDONJSA-N 2 1 238.379 1.337 20 0 BDADMP C[C@@H]1CCCN(C(=[NH2+])NCC[N@@H+](C)C2CC2)C1 ZINC000848997445 588429586 /nfs/dbraw/zinc/42/95/86/588429586.db2.gz JAIPUQIMPXYYNL-LLVKDONJSA-N 2 1 238.379 1.337 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848998935 588429878 /nfs/dbraw/zinc/42/98/78/588429878.db2.gz JXFJCZDDTCHXTR-GFCCVEGCSA-N 2 1 238.379 1.337 20 0 BDADMP C[N@@H+]1CC=C(CNC(=[NH2+])N2CCCCC2)CC1 ZINC000849017065 588437418 /nfs/dbraw/zinc/43/74/18/588437418.db2.gz ZMCNMWWCFHYILW-UHFFFAOYSA-N 2 1 236.363 1.259 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])NC1CC1 ZINC000849024034 588439679 /nfs/dbraw/zinc/43/96/79/588439679.db2.gz OTMAKDYWGNDHJF-LLVKDONJSA-N 2 1 238.379 1.383 20 0 BDADMP CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000849026021 588440494 /nfs/dbraw/zinc/44/04/94/588440494.db2.gz JPKCYQMNFXOJRK-LBPRGKRZSA-N 2 1 238.379 1.527 20 0 BDADMP CCCNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849038962 588446591 /nfs/dbraw/zinc/44/65/91/588446591.db2.gz ATYHXVDHPWWJDE-UHFFFAOYSA-N 2 1 226.368 1.385 20 0 BDADMP Cc1[nH+]cc(CNCc2cccc(F)n2)n1C ZINC000850221580 588530206 /nfs/dbraw/zinc/53/02/06/588530206.db2.gz LUDVPLOJYNUKRZ-UHFFFAOYSA-N 2 1 234.278 1.552 20 0 BDADMP CO[C@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC000852009086 588654623 /nfs/dbraw/zinc/65/46/23/588654623.db2.gz YCVPPNRWMYRLAV-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000852078133 588660144 /nfs/dbraw/zinc/66/01/44/588660144.db2.gz LQKQNECAQWRPLV-MJBXVCDLSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000852078133 588660145 /nfs/dbraw/zinc/66/01/45/588660145.db2.gz LQKQNECAQWRPLV-MJBXVCDLSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000852078133 588660146 /nfs/dbraw/zinc/66/01/46/588660146.db2.gz LQKQNECAQWRPLV-MJBXVCDLSA-N 2 1 238.375 1.582 20 0 BDADMP CC[C@H]1C[N@H+](CCOC(F)F)CC[C@@H]1[NH3+] ZINC000852748223 588699487 /nfs/dbraw/zinc/69/94/87/588699487.db2.gz NJKJVTCPVYOYBQ-IUCAKERBSA-N 2 1 222.279 1.285 20 0 BDADMP CC[C@H]1C[N@@H+](CCOC(F)F)CC[C@@H]1[NH3+] ZINC000852748223 588699488 /nfs/dbraw/zinc/69/94/88/588699488.db2.gz NJKJVTCPVYOYBQ-IUCAKERBSA-N 2 1 222.279 1.285 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852751294 588700350 /nfs/dbraw/zinc/70/03/50/588700350.db2.gz WHYGFSXCVMTGKA-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000852751294 588700351 /nfs/dbraw/zinc/70/03/51/588700351.db2.gz WHYGFSXCVMTGKA-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000863482870 589292698 /nfs/dbraw/zinc/29/26/98/589292698.db2.gz MJZZRULJXRPQPR-QWRGUYRKSA-N 2 1 210.321 1.040 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC23CCOCC3)C[NH2+]1 ZINC000863548502 589298341 /nfs/dbraw/zinc/29/83/41/589298341.db2.gz YIICMUKXWPJZTG-JHJVBQTASA-N 2 1 238.375 1.676 20 0 BDADMP C1=C(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)COCC1 ZINC000863641809 589306232 /nfs/dbraw/zinc/30/62/32/589306232.db2.gz KUCYPUMULTVABQ-AWEZNQCLSA-N 2 1 236.359 1.409 20 0 BDADMP C[C@H]1CN=C(NC(=O)C[N@@H+](C)C2CCC2)S1 ZINC000863926680 589326960 /nfs/dbraw/zinc/32/69/60/589326960.db2.gz CANXEKCUELANDY-QMMMGPOBSA-N 2 1 241.360 1.078 20 0 BDADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C)[NH+](C)C)C1 ZINC000864456422 589367186 /nfs/dbraw/zinc/36/71/86/589367186.db2.gz IMTZMPYQZNSYGF-GHMZBOCLSA-N 2 1 226.368 1.193 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCCC1CC1 ZINC000864456743 589367279 /nfs/dbraw/zinc/36/72/79/589367279.db2.gz LFPPCUZHWLISRM-UHFFFAOYSA-N 2 1 240.395 1.632 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])N[C@@H]1C[C@H]1C)C(C)C ZINC000864456774 589367393 /nfs/dbraw/zinc/36/73/93/589367393.db2.gz MHIVGPIGVKZECD-GHMZBOCLSA-N 2 1 226.368 1.239 20 0 BDADMP C[C@@H](CNC(=[NH2+])NCCC1CC1)[N@@H+](C)C1CC1 ZINC000864458016 589367682 /nfs/dbraw/zinc/36/76/82/589367682.db2.gz VTNQPWKRYYHZEJ-JTQLQIEISA-N 2 1 238.379 1.383 20 0 BDADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864458985 589368566 /nfs/dbraw/zinc/36/85/66/589368566.db2.gz XQDSRMQPFCBMCS-GFCCVEGCSA-N 2 1 238.379 1.242 20 0 BDADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000864465671 589371083 /nfs/dbraw/zinc/37/10/83/589371083.db2.gz BLBTWITYUYJNLT-GHMZBOCLSA-N 2 1 238.379 1.383 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000865695187 589456671 /nfs/dbraw/zinc/45/66/71/589456671.db2.gz XYAIYMBUSLNBAN-SZZQBSIJSA-N 2 1 236.359 1.094 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000865875069 589466598 /nfs/dbraw/zinc/46/65/98/589466598.db2.gz AVVXTIRFFZPMJJ-YNEHKIRRSA-N 2 1 242.407 1.998 20 0 BDADMP Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc[nH+]1 ZINC000866206664 589479941 /nfs/dbraw/zinc/47/99/41/589479941.db2.gz FHIMKCTUQNIHBA-JSGCOSHPSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000866206812 589480298 /nfs/dbraw/zinc/48/02/98/589480298.db2.gz NCSHJRRMJYGMNB-STQMWFEESA-N 2 1 246.358 1.624 20 0 BDADMP Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000866206812 589480299 /nfs/dbraw/zinc/48/02/99/589480299.db2.gz NCSHJRRMJYGMNB-STQMWFEESA-N 2 1 246.358 1.624 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C3CCCC3)CC[C@@H]21 ZINC000866585430 589501589 /nfs/dbraw/zinc/50/15/89/589501589.db2.gz XYWIALXVWAQLIS-YPMHNXCESA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCCC3)CC[C@@H]21 ZINC000866585430 589501591 /nfs/dbraw/zinc/50/15/91/589501591.db2.gz XYWIALXVWAQLIS-YPMHNXCESA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000866585430 589501592 /nfs/dbraw/zinc/50/15/92/589501592.db2.gz XYWIALXVWAQLIS-YPMHNXCESA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000866585430 589501594 /nfs/dbraw/zinc/50/15/94/589501594.db2.gz XYWIALXVWAQLIS-YPMHNXCESA-N 2 1 208.349 1.955 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000866636254 589506744 /nfs/dbraw/zinc/50/67/44/589506744.db2.gz IVMXWQJJBHKEFU-FQUUOJAGSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000866658842 589508414 /nfs/dbraw/zinc/50/84/14/589508414.db2.gz BKMKCURKOVVUPA-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704174 589513252 /nfs/dbraw/zinc/51/32/52/589513252.db2.gz RJSDDRIZNCHHFZ-NXEZZACHSA-N 2 1 200.351 1.020 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866702610 589513539 /nfs/dbraw/zinc/51/35/39/589513539.db2.gz DAFFQPRMVUBZLR-OLZOCXBDSA-N 2 1 240.391 1.469 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866703725 589513589 /nfs/dbraw/zinc/51/35/89/589513589.db2.gz LABWXYJXPTWWAE-STQMWFEESA-N 2 1 240.416 1.671 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000866704325 589514038 /nfs/dbraw/zinc/51/40/38/589514038.db2.gz SSVYOGQFPQVMEW-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706217 589514431 /nfs/dbraw/zinc/51/44/31/589514431.db2.gz NGRBMERKKSLHGX-YPMHNXCESA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)CC ZINC000872032983 589857676 /nfs/dbraw/zinc/85/76/76/589857676.db2.gz DPYGRVIMDAVLAY-VXGBXAGGSA-N 2 1 230.396 1.713 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141800 589882660 /nfs/dbraw/zinc/88/26/60/589882660.db2.gz TYXHQJXPBWBLBX-VXGBXAGGSA-N 2 1 224.348 1.226 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000872142641 589883326 /nfs/dbraw/zinc/88/33/26/589883326.db2.gz BUGBEBPEJZIGMG-STQMWFEESA-N 2 1 249.358 1.805 20 0 BDADMP COCC1([N@@H+](C)CC2CC[NH2+]CC2)CCC1 ZINC000872157074 589885759 /nfs/dbraw/zinc/88/57/59/589885759.db2.gz IDXJBUGWLGOGMK-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCC[NH2+]C1 ZINC000872154938 589886458 /nfs/dbraw/zinc/88/64/58/589886458.db2.gz FXVRGHRNXGMSMU-ZDUSSCGKSA-N 3 1 227.396 1.437 20 0 BDADMP C[C@H](O)C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208465 589993924 /nfs/dbraw/zinc/99/39/24/589993924.db2.gz ODVRXDBRQDNZLS-VIFPVBQESA-N 2 1 240.372 1.206 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000873209749 589994622 /nfs/dbraw/zinc/99/46/22/589994622.db2.gz PVYMHAPSUGYIPZ-ZIAGYGMSSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)[C@H](C[NH3+])CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000873209749 589994624 /nfs/dbraw/zinc/99/46/24/589994624.db2.gz PVYMHAPSUGYIPZ-ZIAGYGMSSA-N 2 1 239.407 1.293 20 0 BDADMP Nc1ccc2c(c1)OCC[N@@H+](CC1(C[NH3+])CC1)C2 ZINC000873218279 589997691 /nfs/dbraw/zinc/99/76/91/589997691.db2.gz BGRLVUZWYNRFGK-UHFFFAOYSA-N 2 1 247.342 1.202 20 0 BDADMP Nc1ccc2c(c1)OCC[N@H+](CC1(C[NH3+])CC1)C2 ZINC000873218279 589997693 /nfs/dbraw/zinc/99/76/93/589997693.db2.gz BGRLVUZWYNRFGK-UHFFFAOYSA-N 2 1 247.342 1.202 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000873218970 589999016 /nfs/dbraw/zinc/99/90/16/589999016.db2.gz BHRRUNHBZLMNET-MELADBBJSA-N 2 1 239.407 1.386 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000873221705 589999472 /nfs/dbraw/zinc/99/94/72/589999472.db2.gz NYDPGRZZRPDFFW-ZJUUUORDSA-N 2 1 214.378 1.409 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000873221705 589999474 /nfs/dbraw/zinc/99/94/74/589999474.db2.gz NYDPGRZZRPDFFW-ZJUUUORDSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000873237562 590004468 /nfs/dbraw/zinc/00/44/68/590004468.db2.gz QYXAOSVTMRVCDE-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCCO1 ZINC000873238298 590005032 /nfs/dbraw/zinc/00/50/32/590005032.db2.gz ZEIRTOFHIBOBQM-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873238228 590005410 /nfs/dbraw/zinc/00/54/10/590005410.db2.gz YLDBGBRVSJFRJR-CHWSQXEVSA-N 2 1 240.391 1.779 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000873254222 590009353 /nfs/dbraw/zinc/00/93/53/590009353.db2.gz NUTDJRLHINSUDI-WUHRBBMRSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000873254222 590009354 /nfs/dbraw/zinc/00/93/54/590009354.db2.gz NUTDJRLHINSUDI-WUHRBBMRSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCc2[nH]ncc21)C1CC[NH2+]CC1 ZINC000873269122 590015284 /nfs/dbraw/zinc/01/52/84/590015284.db2.gz MHBDDXCAKABJDP-MFKMUULPSA-N 2 1 248.374 1.765 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1c[nH+]ccc1N ZINC000873270734 590016135 /nfs/dbraw/zinc/01/61/35/590016135.db2.gz BDMPVJPBQGBFRP-WDEREUQCSA-N 3 1 248.374 1.533 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCCO)[C@H](C)C1 ZINC000126225798 590254711 /nfs/dbraw/zinc/25/47/11/590254711.db2.gz QCAFRSAZADTSRW-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](CC)C1)OC ZINC000876942695 590259403 /nfs/dbraw/zinc/25/94/03/590259403.db2.gz BTQCPWLZVZSSDM-MELADBBJSA-N 2 1 242.407 1.979 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877743483 590411373 /nfs/dbraw/zinc/41/13/73/590411373.db2.gz WGQPEGDZYBIFOT-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000877743483 590411374 /nfs/dbraw/zinc/41/13/74/590411374.db2.gz WGQPEGDZYBIFOT-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000877743483 590411376 /nfs/dbraw/zinc/41/13/76/590411376.db2.gz WGQPEGDZYBIFOT-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000878105158 590494413 /nfs/dbraw/zinc/49/44/13/590494413.db2.gz XFEWNDVNBZFSOG-OLZOCXBDSA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878105159 590495179 /nfs/dbraw/zinc/49/51/79/590495179.db2.gz XFEWNDVNBZFSOG-QWHCGFSZSA-N 2 1 228.380 1.277 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000879320215 590739867 /nfs/dbraw/zinc/73/98/67/590739867.db2.gz DPWBIFKQQQMUKW-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000879320215 590739865 /nfs/dbraw/zinc/73/98/65/590739865.db2.gz DPWBIFKQQQMUKW-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000879320215 590739866 /nfs/dbraw/zinc/73/98/66/590739866.db2.gz DPWBIFKQQQMUKW-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879581296 590803071 /nfs/dbraw/zinc/80/30/71/590803071.db2.gz XULYMWANUNYLQU-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000879581296 590803076 /nfs/dbraw/zinc/80/30/76/590803076.db2.gz XULYMWANUNYLQU-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000879581296 590803080 /nfs/dbraw/zinc/80/30/80/590803080.db2.gz XULYMWANUNYLQU-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP COCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572770 590808943 /nfs/dbraw/zinc/80/89/43/590808943.db2.gz ZZUFRIVTQHJZIO-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572770 590808945 /nfs/dbraw/zinc/80/89/45/590808945.db2.gz ZZUFRIVTQHJZIO-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572770 590808947 /nfs/dbraw/zinc/80/89/47/590808947.db2.gz ZZUFRIVTQHJZIO-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572770 590808950 /nfs/dbraw/zinc/80/89/50/590808950.db2.gz ZZUFRIVTQHJZIO-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570786 590811070 /nfs/dbraw/zinc/81/10/70/590811070.db2.gz FTVMTJHFUJUMPN-AAVRWANBSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570786 590811072 /nfs/dbraw/zinc/81/10/72/590811072.db2.gz FTVMTJHFUJUMPN-AAVRWANBSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570786 590811075 /nfs/dbraw/zinc/81/10/75/590811075.db2.gz FTVMTJHFUJUMPN-AAVRWANBSA-N 2 1 238.375 1.316 20 0 BDADMP CS[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000128421034 591038283 /nfs/dbraw/zinc/03/82/83/591038283.db2.gz ILLGDHKFVCAYIX-VXGBXAGGSA-N 2 1 228.405 1.954 20 0 BDADMP CS[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000128421325 591038348 /nfs/dbraw/zinc/03/83/48/591038348.db2.gz ILLGDHKFVCAYIX-NWDGAFQWSA-N 2 1 228.405 1.954 20 0 BDADMP COC[C@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473351 591054511 /nfs/dbraw/zinc/05/45/11/591054511.db2.gz WYRZBXXJQMBQCV-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CCCCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000128553997 591119919 /nfs/dbraw/zinc/11/99/19/591119919.db2.gz ISOKXSLXSBWDRH-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000128553997 591119926 /nfs/dbraw/zinc/11/99/26/591119926.db2.gz ISOKXSLXSBWDRH-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1cccc2c1CCOC2 ZINC000882879460 591462238 /nfs/dbraw/zinc/46/22/38/591462238.db2.gz XTUKJOCKMGDPPD-UHFFFAOYSA-N 2 1 248.370 1.801 20 0 BDADMP C[N@@H+](CCCF)CC1CC[NH+](C)CC1 ZINC000131198491 591567876 /nfs/dbraw/zinc/56/78/76/591567876.db2.gz FRRGEDBVHNBOID-UHFFFAOYSA-N 2 1 202.317 1.620 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@H](C)C1 ZINC000883269665 591602801 /nfs/dbraw/zinc/60/28/01/591602801.db2.gz RSMXPCCUVOPGBK-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP N[C@H](C[NH2+]Cc1cncs1)c1ccccc1 ZINC000131591282 591624246 /nfs/dbraw/zinc/62/42/46/591624246.db2.gz ZTVKKPSFGBZZGO-GFCCVEGCSA-N 2 1 233.340 1.933 20 0 BDADMP C[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883378345 591636924 /nfs/dbraw/zinc/63/69/24/591636924.db2.gz IGJWRMSUECBDAC-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP CCc1ccc(NCc2cn(C)cn2)[nH+]c1 ZINC000883384500 591639341 /nfs/dbraw/zinc/63/93/41/591639341.db2.gz SWMBMGYVSKZKEO-UHFFFAOYSA-N 2 1 216.288 1.990 20 0 BDADMP c1ncc2c(n1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000883461691 591673634 /nfs/dbraw/zinc/67/36/34/591673634.db2.gz BATKZGTUDAQNHY-GFCCVEGCSA-N 2 1 246.358 1.224 20 0 BDADMP Cc1n[nH]c(C[NH2+]CCn2cc[nH+]c2C)c1C ZINC000885956660 592114714 /nfs/dbraw/zinc/11/47/14/592114714.db2.gz VKNLKOSYMGLPLS-UHFFFAOYSA-N 2 1 233.319 1.321 20 0 BDADMP Cc1[nH]c(C2CC[NH+](CCCO)CC2)[nH+]c1C ZINC000886665621 592296309 /nfs/dbraw/zinc/29/63/09/592296309.db2.gz CCRFHTQBMSNJTM-UHFFFAOYSA-N 2 1 237.347 1.588 20 0 BDADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H](C)O)CC1 ZINC000886715686 592309228 /nfs/dbraw/zinc/30/92/28/592309228.db2.gz AZPZVDSKCDUHDV-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@]12CCOC2)C1CC[NH2+]CC1 ZINC000886827152 592351518 /nfs/dbraw/zinc/35/15/18/592351518.db2.gz FTWAHXRFYXPYRR-WCQYABFASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1[NH3+] ZINC000886829438 592351906 /nfs/dbraw/zinc/35/19/06/592351906.db2.gz AFSBHTZEDXHHDU-YVECIDJPSA-N 2 1 224.348 1.082 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886838382 592358374 /nfs/dbraw/zinc/35/83/74/592358374.db2.gz WOHIEHLOPGQCNB-IHRRRGAJSA-N 2 1 238.375 1.474 20 0 BDADMP N[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)CC[C@H]1F ZINC000886841160 592359439 /nfs/dbraw/zinc/35/94/39/592359439.db2.gz DISJWWMMZQRQCC-LPWJVIDDSA-N 2 1 242.338 1.315 20 0 BDADMP C(C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)[C@H]1CC[NH2+]C1 ZINC000886859950 592372425 /nfs/dbraw/zinc/37/24/25/592372425.db2.gz LNPSLCCICXHDMP-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865845 592373352 /nfs/dbraw/zinc/37/33/52/592373352.db2.gz WJDTUESFLMHZHP-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865845 592373358 /nfs/dbraw/zinc/37/33/58/592373358.db2.gz WJDTUESFLMHZHP-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP Cn1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000886872157 592377742 /nfs/dbraw/zinc/37/77/42/592377742.db2.gz KXDCYGJVTPCCOQ-CQSZACIVSA-N 2 1 248.374 1.386 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000886872157 592377746 /nfs/dbraw/zinc/37/77/46/592377746.db2.gz KXDCYGJVTPCCOQ-CQSZACIVSA-N 2 1 248.374 1.386 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000221734792 592445274 /nfs/dbraw/zinc/44/52/74/592445274.db2.gz MMILFXRAWYPNRF-VHDGCEQUSA-N 2 1 248.370 1.792 20 0 BDADMP CC(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131493 592449355 /nfs/dbraw/zinc/44/93/55/592449355.db2.gz ZBNKHOILCIUXTR-GFCCVEGCSA-N 2 1 247.342 1.571 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000887323959 592480547 /nfs/dbraw/zinc/48/05/47/592480547.db2.gz NJOCGROFGFWGTF-GFCCVEGCSA-N 2 1 238.379 1.337 20 0 BDADMP CC[N@H+]1CC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000887323959 592480549 /nfs/dbraw/zinc/48/05/49/592480549.db2.gz NJOCGROFGFWGTF-GFCCVEGCSA-N 2 1 238.379 1.337 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NCC1CC1)C(C)C ZINC000887353049 592485832 /nfs/dbraw/zinc/48/58/32/592485832.db2.gz ZQUJNTICEOEBEH-UHFFFAOYSA-N 2 1 226.368 1.241 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887351402 592485906 /nfs/dbraw/zinc/48/59/06/592485906.db2.gz OESXMJDZDGRWBZ-VIFPVBQESA-N 2 1 248.321 1.096 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NCC(F)F)C(C)C ZINC000887352535 592486548 /nfs/dbraw/zinc/48/65/48/592486548.db2.gz DJVGFKRUMAIPIP-UHFFFAOYSA-N 2 1 236.310 1.096 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])NCC(F)F)C1CCCC1 ZINC000887354072 592487019 /nfs/dbraw/zinc/48/70/19/592487019.db2.gz OMQPNKIUDIBPDR-UHFFFAOYSA-N 2 1 248.321 1.240 20 0 BDADMP Cn1nccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300064746 592502129 /nfs/dbraw/zinc/50/21/29/592502129.db2.gz MMPSGKNJRDOAKP-OCCSQVGLSA-N 2 1 248.374 1.179 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCC1CCOCC1 ZINC000300783335 592519636 /nfs/dbraw/zinc/51/96/36/592519636.db2.gz RXJPBBOZKFFAKS-GFCCVEGCSA-N 2 1 228.380 1.862 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925704587 634383387 /nfs/dbraw/zinc/38/33/87/634383387.db2.gz YWSHSSGPMDZSHU-XQQFMLRXSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246919284 988732320 /nfs/dbraw/zinc/73/23/20/988732320.db2.gz ZVTXCIDBDVPRGI-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246919284 988732331 /nfs/dbraw/zinc/73/23/31/988732331.db2.gz ZVTXCIDBDVPRGI-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP CO[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1C ZINC000299911502 634398016 /nfs/dbraw/zinc/39/80/16/634398016.db2.gz MWWSVRWSTXDBEC-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925714157 634419225 /nfs/dbraw/zinc/41/92/25/634419225.db2.gz WBPOPHQYFSUTMI-AXFHLTTASA-N 2 1 226.389 1.755 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000310112117 634540330 /nfs/dbraw/zinc/54/03/30/634540330.db2.gz ATLNQEFCEUBUQM-IACUBPJLSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000310114662 634567539 /nfs/dbraw/zinc/56/75/39/634567539.db2.gz GRFZBRNIWJILPW-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC000310114662 634567547 /nfs/dbraw/zinc/56/75/47/634567547.db2.gz GRFZBRNIWJILPW-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP COC(=O)C(C)(C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000258805855 635205229 /nfs/dbraw/zinc/20/52/29/635205229.db2.gz NUSRQUPLCOTHPH-UHFFFAOYSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])c2nccn21 ZINC000925738683 634596530 /nfs/dbraw/zinc/59/65/30/634596530.db2.gz SJINIMDZWQAOQP-VHSXEESVSA-N 2 1 222.336 1.606 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCCC(C)(C)[NH3+] ZINC000925741764 634602877 /nfs/dbraw/zinc/60/28/77/634602877.db2.gz MSNSRLGDPNVNMD-CMPLNLGQSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925741764 634602881 /nfs/dbraw/zinc/60/28/81/634602881.db2.gz MSNSRLGDPNVNMD-CMPLNLGQSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCCC(C)(C)[NH3+] ZINC000925741766 634604647 /nfs/dbraw/zinc/60/46/47/634604647.db2.gz MSNSRLGDPNVNMD-PWSUYJOCSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925741766 634604654 /nfs/dbraw/zinc/60/46/54/634604654.db2.gz MSNSRLGDPNVNMD-PWSUYJOCSA-N 2 1 225.380 1.186 20 0 BDADMP COC[C@H](C)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000163548205 635457376 /nfs/dbraw/zinc/45/73/76/635457376.db2.gz OXILSYZLRFRXON-VOMCLLRMSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)CCS1 ZINC000123522434 635514142 /nfs/dbraw/zinc/51/41/42/635514142.db2.gz LUEBNQOQUIJTOT-SNVBAGLBSA-N 2 1 214.378 1.566 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)CCS1 ZINC000123522434 635514148 /nfs/dbraw/zinc/51/41/48/635514148.db2.gz LUEBNQOQUIJTOT-SNVBAGLBSA-N 2 1 214.378 1.566 20 0 BDADMP CC(C)COCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000232634794 635514284 /nfs/dbraw/zinc/51/42/84/635514284.db2.gz RYBWIBMGODQYJC-UHFFFAOYSA-N 2 1 228.380 1.861 20 0 BDADMP CC1(C)C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000036232725 635556418 /nfs/dbraw/zinc/55/64/18/635556418.db2.gz UYCUEUDWEPBUJK-UHFFFAOYSA-N 2 1 214.353 1.616 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000925890527 635616235 /nfs/dbraw/zinc/61/62/35/635616235.db2.gz QBARCONKMDRBHE-DTWKUNHWSA-N 2 1 225.336 1.761 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000076683438 631299885 /nfs/dbraw/zinc/29/98/85/631299885.db2.gz KWEXUGZZCUEODM-LBPRGKRZSA-N 2 1 236.363 1.208 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000083008672 631417787 /nfs/dbraw/zinc/41/77/87/631417787.db2.gz ILFWQEOMWNJZMT-AWEZNQCLSA-N 2 1 218.344 1.900 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000308726496 631555799 /nfs/dbraw/zinc/55/57/99/631555799.db2.gz LTRJLBFAPWELSB-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000934124117 631705224 /nfs/dbraw/zinc/70/52/24/631705224.db2.gz NFULXJBNGKAMMS-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@@H]1[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000934124117 631705229 /nfs/dbraw/zinc/70/52/29/631705229.db2.gz NFULXJBNGKAMMS-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@@H]1[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000934124117 631705232 /nfs/dbraw/zinc/70/52/32/631705232.db2.gz NFULXJBNGKAMMS-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000848719508 631778965 /nfs/dbraw/zinc/77/89/65/631778965.db2.gz HQXZUHLEJWMJJP-VHSXEESVSA-N 2 1 223.295 1.580 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309056632 631832683 /nfs/dbraw/zinc/83/26/83/631832683.db2.gz RTBGNVBDZOTMCT-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)OC(C)(C)C2)CC[NH2+]1 ZINC000235369468 632027764 /nfs/dbraw/zinc/02/77/64/632027764.db2.gz QZMPJHMGKKFISC-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000052043920 632051662 /nfs/dbraw/zinc/05/16/62/632051662.db2.gz WVMYUVUGIFFIDD-LLVKDONJSA-N 2 1 226.368 1.098 20 0 BDADMP CCN(CC)[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091543924 632069691 /nfs/dbraw/zinc/06/96/91/632069691.db2.gz ZDNITUOOFJGGOC-RDBSUJKOSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091543924 632069697 /nfs/dbraw/zinc/06/96/97/632069697.db2.gz ZDNITUOOFJGGOC-RDBSUJKOSA-N 2 1 239.407 1.530 20 0 BDADMP C[N@H+]1CCN(C[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000250786314 635701749 /nfs/dbraw/zinc/70/17/49/635701749.db2.gz GEJIUTIDKQXZGU-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000125542818 632108806 /nfs/dbraw/zinc/10/88/06/632108806.db2.gz AAHFIDQAFHTUAZ-ZDUSSCGKSA-N 2 1 234.343 1.736 20 0 BDADMP Cc1cc[nH+]c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091672662 632131536 /nfs/dbraw/zinc/13/15/36/632131536.db2.gz XDUBJENYUOSWKY-OLZOCXBDSA-N 2 1 247.342 1.665 20 0 BDADMP Cc1cc[nH+]c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091672662 632131539 /nfs/dbraw/zinc/13/15/39/632131539.db2.gz XDUBJENYUOSWKY-OLZOCXBDSA-N 2 1 247.342 1.665 20 0 BDADMP CCn1nccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000157106039 632415579 /nfs/dbraw/zinc/41/55/79/632415579.db2.gz ZFDULLYPSBJGRF-UHFFFAOYSA-N 2 1 236.363 1.605 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309523588 632468263 /nfs/dbraw/zinc/46/82/63/632468263.db2.gz UMUTVXHYVYFNNW-MQYQWHSLSA-N 2 1 220.360 1.740 20 0 BDADMP C[C@@H]1OC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1C ZINC000926559057 632530505 /nfs/dbraw/zinc/53/05/05/632530505.db2.gz LSFHVVUYDZESQS-MBNYWOFBSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[NH2+]C1 ZINC000063120842 632537579 /nfs/dbraw/zinc/53/75/79/632537579.db2.gz LGBQSCAEOZCYFB-CQSZACIVSA-N 3 1 239.407 1.260 20 0 BDADMP Cc1cc(N)nc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000892421700 632677351 /nfs/dbraw/zinc/67/73/51/632677351.db2.gz NUHSDQAGORYIJV-JTQLQIEISA-N 2 1 235.335 1.121 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000235658988 632809126 /nfs/dbraw/zinc/80/91/26/632809126.db2.gz KDRXCKFHUDCNPO-RNJOBUHISA-N 2 1 210.365 1.962 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOCC(F)F ZINC000236230648 632901891 /nfs/dbraw/zinc/90/18/91/632901891.db2.gz SKFFMWBPXOLGBH-FGWVZKOKSA-N 2 1 248.317 1.612 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOCC(F)F ZINC000236230648 632901895 /nfs/dbraw/zinc/90/18/95/632901895.db2.gz SKFFMWBPXOLGBH-FGWVZKOKSA-N 2 1 248.317 1.612 20 0 BDADMP CC[N@H+](CC[NH2+][C@H](C)CCCCO)C(C)C ZINC000309439544 633073333 /nfs/dbraw/zinc/07/33/33/633073333.db2.gz ICWDKIURISDJDW-CYBMUJFWSA-N 2 1 230.396 1.857 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H](C)CCCCO)C(C)C ZINC000309439544 633073338 /nfs/dbraw/zinc/07/33/38/633073338.db2.gz ICWDKIURISDJDW-CYBMUJFWSA-N 2 1 230.396 1.857 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H](CCCO)C2)CC1 ZINC000894797014 635926614 /nfs/dbraw/zinc/92/66/14/635926614.db2.gz HPZPEVUCWIUVRZ-ZDUSSCGKSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000220970084 636050080 /nfs/dbraw/zinc/05/00/80/636050080.db2.gz GANIYAZILFWTOJ-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000925525314 633902381 /nfs/dbraw/zinc/90/23/81/633902381.db2.gz BQCAWBXWUKIFOB-NWDGAFQWSA-N 2 1 240.391 1.922 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCC1CCC1)C1CC1 ZINC000309463507 633923837 /nfs/dbraw/zinc/92/38/37/633923837.db2.gz SHSWIJJJAWBSOZ-CYBMUJFWSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1CCC1)C1CC1 ZINC000309463507 633923843 /nfs/dbraw/zinc/92/38/43/633923843.db2.gz SHSWIJJJAWBSOZ-CYBMUJFWSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCCCCO)CC[N@H+]1C ZINC000182147240 633935613 /nfs/dbraw/zinc/93/56/13/633935613.db2.gz IWRQNYMTHIZSSQ-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(CC2OCCO2)C1 ZINC000182392448 633946099 /nfs/dbraw/zinc/94/60/99/633946099.db2.gz FHFRIKCQCFNISA-GFCCVEGCSA-N 2 1 242.363 1.023 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C1(CO)CCC1 ZINC000895475947 636148789 /nfs/dbraw/zinc/14/87/89/636148789.db2.gz OGCRIEFRYOYAAR-UHFFFAOYSA-N 2 1 226.364 1.175 20 0 BDADMP CC(C)C[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000309983158 634024879 /nfs/dbraw/zinc/02/48/79/634024879.db2.gz IYKZIBWEIPPQSM-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000309983158 634024888 /nfs/dbraw/zinc/02/48/88/634024888.db2.gz IYKZIBWEIPPQSM-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1 ZINC000310114666 634074251 /nfs/dbraw/zinc/07/42/51/634074251.db2.gz GRFZBRNIWJILPW-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC000310114666 634074255 /nfs/dbraw/zinc/07/42/55/634074255.db2.gz GRFZBRNIWJILPW-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925616987 634164236 /nfs/dbraw/zinc/16/42/36/634164236.db2.gz OZAXQFIEPPHMER-NWDGAFQWSA-N 2 1 240.391 1.658 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925628011 634184151 /nfs/dbraw/zinc/18/41/51/634184151.db2.gz DGAUYFZNBJYLTR-STQMWFEESA-N 2 1 231.343 1.750 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000925676490 634266322 /nfs/dbraw/zinc/26/63/22/634266322.db2.gz MQERRNAVSQKQCI-MGPQQGTHSA-N 2 1 241.423 1.837 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925678843 634274857 /nfs/dbraw/zinc/27/48/57/634274857.db2.gz XOVLUOKNWMYLJR-OLZOCXBDSA-N 2 1 249.358 1.905 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925678976 634276926 /nfs/dbraw/zinc/27/69/26/634276926.db2.gz GUDSOHPALVBXGD-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925682025 634284708 /nfs/dbraw/zinc/28/47/08/634284708.db2.gz RZUIYDZOGRAMET-NWDGAFQWSA-N 2 1 240.391 1.800 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925686752 634300408 /nfs/dbraw/zinc/30/04/08/634300408.db2.gz YCHUZBOBAZGMRH-ZDUSSCGKSA-N 3 1 239.407 1.591 20 0 BDADMP C[N@H+](CCCCN[C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925686752 634300413 /nfs/dbraw/zinc/30/04/13/634300413.db2.gz YCHUZBOBAZGMRH-ZDUSSCGKSA-N 2 1 239.407 1.591 20 0 BDADMP C[N@@H+](CCCCN[C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925686752 634300421 /nfs/dbraw/zinc/30/04/21/634300421.db2.gz YCHUZBOBAZGMRH-ZDUSSCGKSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1NCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000925686978 634301041 /nfs/dbraw/zinc/30/10/41/634301041.db2.gz YAGYTWSUVNGZRK-MELADBBJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000925686978 634301045 /nfs/dbraw/zinc/30/10/45/634301045.db2.gz YAGYTWSUVNGZRK-MELADBBJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000925686978 634301051 /nfs/dbraw/zinc/30/10/51/634301051.db2.gz YAGYTWSUVNGZRK-MELADBBJSA-N 3 1 239.407 1.448 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925690787 634314838 /nfs/dbraw/zinc/31/48/38/634314838.db2.gz GMFPRJOLLWFEST-FRRDWIJNSA-N 2 1 238.375 1.817 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000925692609 634324760 /nfs/dbraw/zinc/32/47/60/634324760.db2.gz OJFQLMRZNRDAKI-DOMZBBRYSA-N 3 1 247.386 1.664 20 0 BDADMP C[C@@H]([NH3+])[C@H](NCC1CC[NH2+]CC1)c1ccccc1 ZINC000925692609 634324771 /nfs/dbraw/zinc/32/47/71/634324771.db2.gz OJFQLMRZNRDAKI-DOMZBBRYSA-N 2 1 247.386 1.664 20 0 BDADMP [NH3+]C1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925693499 634330485 /nfs/dbraw/zinc/33/04/85/634330485.db2.gz OZZKAGWCONXXEH-BPCQOVAHSA-N 2 1 237.391 1.521 20 0 BDADMP [NH3+]CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694364 634336698 /nfs/dbraw/zinc/33/66/98/634336698.db2.gz TXIGAAUBAKJCND-OLZOCXBDSA-N 3 1 225.380 1.093 20 0 BDADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925697195 634359482 /nfs/dbraw/zinc/35/94/82/634359482.db2.gz ZJENVMJRVSTMFB-AGIUHOORSA-N 2 1 238.375 1.412 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H](N)C23CCC3)C1 ZINC000925701996 634375972 /nfs/dbraw/zinc/37/59/72/634375972.db2.gz JBVJLAWBVLSYLO-RNJOBUHISA-N 2 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[C@H](NCc2cc(N)cc[nH+]2)C[N@H+]1C1CC1 ZINC000925771496 635208467 /nfs/dbraw/zinc/20/84/67/635208467.db2.gz MHQIZXUPNHNXNJ-MFKMUULPSA-N 2 1 246.358 1.379 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cn1 ZINC000925782761 635280265 /nfs/dbraw/zinc/28/02/65/635280265.db2.gz AJHUPPIFMUBRKX-VWYCJHECSA-N 2 1 237.322 1.727 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000167628297 635384030 /nfs/dbraw/zinc/38/40/30/635384030.db2.gz BRYMXAAMAAUUIW-RDBSUJKOSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000167628297 635384039 /nfs/dbraw/zinc/38/40/39/635384039.db2.gz BRYMXAAMAAUUIW-RDBSUJKOSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000167628297 635384047 /nfs/dbraw/zinc/38/40/47/635384047.db2.gz BRYMXAAMAAUUIW-RDBSUJKOSA-N 2 1 238.375 1.173 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000036231121 635553138 /nfs/dbraw/zinc/55/31/38/635553138.db2.gz SIKLNFQMZFYTHT-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228083687 636703529 /nfs/dbraw/zinc/70/35/29/636703529.db2.gz COSIZUSZUNQQEW-GHMZBOCLSA-N 2 1 205.305 1.564 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CC[N@H+]1C ZINC000252176417 636780133 /nfs/dbraw/zinc/78/01/33/636780133.db2.gz SCBWFNQMDBHHAJ-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP CCc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000088759710 636900895 /nfs/dbraw/zinc/90/08/95/636900895.db2.gz QUFMJYFAGGFNFY-PWSUYJOCSA-N 2 1 248.374 1.911 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCC12CCC2)C[NH+](C)C ZINC000926957431 636970189 /nfs/dbraw/zinc/97/01/89/636970189.db2.gz BNRRXJWALXPORU-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)C[NH+](C)C ZINC000926963440 636973296 /nfs/dbraw/zinc/97/32/96/636973296.db2.gz UFBWXNNGZLVLCD-RQJABVFESA-N 2 1 242.407 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)CC)C[NH+](C)C ZINC000926966842 636976998 /nfs/dbraw/zinc/97/69/98/636976998.db2.gz YKHREESUFGYTPX-GHMZBOCLSA-N 2 1 202.342 1.341 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000924717983 637031781 /nfs/dbraw/zinc/03/17/81/637031781.db2.gz OGHPQNSTYINDAM-WZRBSPASSA-N 2 1 240.391 1.587 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1cccnc1 ZINC000054602170 637035082 /nfs/dbraw/zinc/03/50/82/637035082.db2.gz WEXODDIOVGMFLB-GOOCMWNKSA-N 2 1 245.370 1.968 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000903461890 637362471 /nfs/dbraw/zinc/36/24/71/637362471.db2.gz ZQCZEEIDKOJBFA-HBNTYKKESA-N 2 1 230.302 1.845 20 0 BDADMP C[C@@H]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000903463716 637363927 /nfs/dbraw/zinc/36/39/27/637363927.db2.gz JXSUPRBRBOUVIL-NDBYEHHHSA-N 2 1 225.380 1.173 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](CN)C1 ZINC000903463716 637363922 /nfs/dbraw/zinc/36/39/22/637363922.db2.gz JXSUPRBRBOUVIL-NDBYEHHHSA-N 2 1 225.380 1.173 20 0 BDADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903565381 637371347 /nfs/dbraw/zinc/37/13/47/637371347.db2.gz IOEFPVSRINWHQK-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903788523 637382541 /nfs/dbraw/zinc/38/25/41/637382541.db2.gz NDAUIGLYJGPBAC-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000903789454 637383972 /nfs/dbraw/zinc/38/39/72/637383972.db2.gz XIQYUJPLCIVBQN-RDBSUJKOSA-N 3 1 239.407 1.293 20 0 BDADMP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000903865708 637385819 /nfs/dbraw/zinc/38/58/19/637385819.db2.gz FGFJNOTVPKFBFU-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000903865708 637385822 /nfs/dbraw/zinc/38/58/22/637385822.db2.gz FGFJNOTVPKFBFU-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904429287 637398850 /nfs/dbraw/zinc/39/88/50/637398850.db2.gz CBAGXVMSYRCZIE-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904429287 637398858 /nfs/dbraw/zinc/39/88/58/637398858.db2.gz CBAGXVMSYRCZIE-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000904442058 637410192 /nfs/dbraw/zinc/41/01/92/637410192.db2.gz CMMJQSOLGYKSTO-UHFFFAOYSA-N 2 1 227.311 1.816 20 0 BDADMP Cc1cccc(C[NH2+]CC2([NH3+])CC2)c1C ZINC000904449288 637414408 /nfs/dbraw/zinc/41/44/08/637414408.db2.gz IBSVASKNGXYLAG-UHFFFAOYSA-N 2 1 204.317 1.884 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000904445630 637414940 /nfs/dbraw/zinc/41/49/40/637414940.db2.gz YNMHZTJWHIRFIO-UHFFFAOYSA-N 2 1 248.355 1.719 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000906508340 638179795 /nfs/dbraw/zinc/17/97/95/638179795.db2.gz NMUUWIRQQLZZNT-ZKCHVHJHSA-N 2 1 230.233 1.683 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000906509245 638181834 /nfs/dbraw/zinc/18/18/34/638181834.db2.gz BZTAYMWNXMQGIN-UHFFFAOYSA-N 2 1 243.310 1.520 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043428078 638322604 /nfs/dbraw/zinc/32/26/04/638322604.db2.gz PCWORDFDCCWCOI-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043428078 638322609 /nfs/dbraw/zinc/32/26/09/638322609.db2.gz PCWORDFDCCWCOI-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000911843941 639837609 /nfs/dbraw/zinc/83/76/09/639837609.db2.gz CFVAXJPSVGISGB-SNVBAGLBSA-N 2 1 247.342 1.739 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277988 640129335 /nfs/dbraw/zinc/12/93/35/640129335.db2.gz UYURRTXQHCBOEH-OBPIAQAESA-N 2 1 224.348 1.046 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277988 640129341 /nfs/dbraw/zinc/12/93/41/640129341.db2.gz UYURRTXQHCBOEH-OBPIAQAESA-N 2 1 224.348 1.046 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000931277593 640131007 /nfs/dbraw/zinc/13/10/07/640131007.db2.gz MFULCBOGHIAYPA-ITGUQSILSA-N 2 1 208.349 1.668 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000931277593 640131012 /nfs/dbraw/zinc/13/10/12/640131012.db2.gz MFULCBOGHIAYPA-ITGUQSILSA-N 2 1 208.349 1.668 20 0 BDADMP CSCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280330 640133796 /nfs/dbraw/zinc/13/37/96/640133796.db2.gz XKTZNYLKOURHJG-URLYPYJESA-N 2 1 214.378 1.231 20 0 BDADMP CSCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280330 640133801 /nfs/dbraw/zinc/13/38/01/640133801.db2.gz XKTZNYLKOURHJG-URLYPYJESA-N 2 1 214.378 1.231 20 0 BDADMP COCC[C@H](C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931306584 640143418 /nfs/dbraw/zinc/14/34/18/640143418.db2.gz BGBJCIUVIXMAES-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310807 640145541 /nfs/dbraw/zinc/14/55/41/640145541.db2.gz HZQMRELEFHCWEG-JHJVBQTASA-N 2 1 226.364 1.295 20 0 BDADMP C[NH+]1C[C@@]2(C)C[NH+](CCCF)C[C@]2(C)C1 ZINC000931311773 640147646 /nfs/dbraw/zinc/14/76/46/640147646.db2.gz STKJEKCBKLCWDA-RYUDHWBXSA-N 2 1 214.328 1.620 20 0 BDADMP Cc1oncc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931435953 640204294 /nfs/dbraw/zinc/20/42/94/640204294.db2.gz JFYPSWIBHQIFLC-YPMHNXCESA-N 2 1 235.331 1.367 20 0 BDADMP Cc1oncc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435953 640204302 /nfs/dbraw/zinc/20/43/02/640204302.db2.gz JFYPSWIBHQIFLC-YPMHNXCESA-N 2 1 235.331 1.367 20 0 BDADMP Cc1oncc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435953 640204311 /nfs/dbraw/zinc/20/43/11/640204311.db2.gz JFYPSWIBHQIFLC-YPMHNXCESA-N 2 1 235.331 1.367 20 0 BDADMP CCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931508639 640239799 /nfs/dbraw/zinc/23/97/99/640239799.db2.gz KIQLUOJKZLGGFY-UHFFFAOYSA-N 2 1 205.305 1.822 20 0 BDADMP CCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931508639 640239801 /nfs/dbraw/zinc/23/98/01/640239801.db2.gz KIQLUOJKZLGGFY-UHFFFAOYSA-N 2 1 205.305 1.822 20 0 BDADMP CC(C)(O)CC[N@@H+]1CCc2nccc(N)c2C1 ZINC000931512213 640241114 /nfs/dbraw/zinc/24/11/14/640241114.db2.gz HELOTCNPMNZTQE-UHFFFAOYSA-N 2 1 235.331 1.183 20 0 BDADMP CC(C)(O)CC[N@H+]1CCc2nccc(N)c2C1 ZINC000931512213 640241120 /nfs/dbraw/zinc/24/11/20/640241120.db2.gz HELOTCNPMNZTQE-UHFFFAOYSA-N 2 1 235.331 1.183 20 0 BDADMP COCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931724249 640338960 /nfs/dbraw/zinc/33/89/60/640338960.db2.gz AFKFPMWWZJKMGQ-XQQFMLRXSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931726202 640339834 /nfs/dbraw/zinc/33/98/34/640339834.db2.gz FEQILINUJXSRBC-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)OCCCN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931726202 640339838 /nfs/dbraw/zinc/33/98/38/640339838.db2.gz FEQILINUJXSRBC-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)OCCCN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931726202 640339844 /nfs/dbraw/zinc/33/98/44/640339844.db2.gz FEQILINUJXSRBC-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@H](CO)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000931763348 640357174 /nfs/dbraw/zinc/35/71/74/640357174.db2.gz GLSXFWDHJLNGMF-CHWSQXEVSA-N 2 1 249.358 1.363 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](C)CC1 ZINC000932339791 640485163 /nfs/dbraw/zinc/48/51/63/640485163.db2.gz BIMOEUZIBPWIAK-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](C)CC1 ZINC000932339791 640485169 /nfs/dbraw/zinc/48/51/69/640485169.db2.gz BIMOEUZIBPWIAK-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP CC(C)C(=O)CC[N@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933732154 640752420 /nfs/dbraw/zinc/75/24/20/640752420.db2.gz KNTHWMOBRRUHFA-GXTWGEPZSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)C(=O)CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732154 640752428 /nfs/dbraw/zinc/75/24/28/640752428.db2.gz KNTHWMOBRRUHFA-GXTWGEPZSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226422667 640762413 /nfs/dbraw/zinc/76/24/13/640762413.db2.gz UHJHQQPGXSMNLD-STQMWFEESA-N 2 1 228.380 1.598 20 0 BDADMP OCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000226427921 640763734 /nfs/dbraw/zinc/76/37/34/640763734.db2.gz MHTJBAIBWABTDW-OLZOCXBDSA-N 2 1 226.364 1.365 20 0 BDADMP OCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000226427921 640763738 /nfs/dbraw/zinc/76/37/38/640763738.db2.gz MHTJBAIBWABTDW-OLZOCXBDSA-N 2 1 226.364 1.365 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC)CCC(=O)NC ZINC000933861601 640773459 /nfs/dbraw/zinc/77/34/59/640773459.db2.gz CYOROJNVTCDKHE-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000227058303 640812559 /nfs/dbraw/zinc/81/25/59/640812559.db2.gz MCKSRWCYJAFQIG-ONGXEEELSA-N 2 1 235.331 1.265 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000227057439 640814467 /nfs/dbraw/zinc/81/44/67/640814467.db2.gz HGVGXSSHDHLWKI-GZMMTYOYSA-N 2 1 239.388 1.929 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000227057439 640814471 /nfs/dbraw/zinc/81/44/71/640814471.db2.gz HGVGXSSHDHLWKI-GZMMTYOYSA-N 2 1 239.388 1.929 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000228781480 640895457 /nfs/dbraw/zinc/89/54/57/640895457.db2.gz DKTCRZHPQFDXGV-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000228781480 640895461 /nfs/dbraw/zinc/89/54/61/640895461.db2.gz DKTCRZHPQFDXGV-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256113 640940054 /nfs/dbraw/zinc/94/00/54/640940054.db2.gz XEADQZCNKMFPGT-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP Cn1ccnc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000062252415 641028969 /nfs/dbraw/zinc/02/89/69/641028969.db2.gz VWZOYNCVBKNYFG-UHFFFAOYSA-N 2 1 222.336 1.122 20 0 BDADMP CO[C@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@@H]1C ZINC000230312615 641046013 /nfs/dbraw/zinc/04/60/13/641046013.db2.gz SYHNHFWALCQIQR-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@H+](C)CCCc1c[nH+]cn1C ZINC000934110366 641074516 /nfs/dbraw/zinc/07/45/16/641074516.db2.gz ZEIGPNVMFNCRBC-QWHCGFSZSA-N 2 1 237.347 1.462 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCCc1c[nH+]cn1C ZINC000934110366 641074519 /nfs/dbraw/zinc/07/45/19/641074519.db2.gz ZEIGPNVMFNCRBC-QWHCGFSZSA-N 2 1 237.347 1.462 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000934113847 641075983 /nfs/dbraw/zinc/07/59/83/641075983.db2.gz CVBMAXTYYUTNND-QWHCGFSZSA-N 2 1 237.347 1.691 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000934113847 641075985 /nfs/dbraw/zinc/07/59/85/641075985.db2.gz CVBMAXTYYUTNND-QWHCGFSZSA-N 2 1 237.347 1.691 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000934120076 641083361 /nfs/dbraw/zinc/08/33/61/641083361.db2.gz ZEHXLYGLRRCPLT-YNEHKIRRSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]1[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000934120076 641083364 /nfs/dbraw/zinc/08/33/64/641083364.db2.gz ZEHXLYGLRRCPLT-YNEHKIRRSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]1[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000934120076 641083368 /nfs/dbraw/zinc/08/33/68/641083368.db2.gz ZEHXLYGLRRCPLT-YNEHKIRRSA-N 2 1 226.364 1.580 20 0 BDADMP C[N@@H+](CCc1ccncc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911324 641107680 /nfs/dbraw/zinc/10/76/80/641107680.db2.gz ZEEUBSAPNSAYOA-CQSZACIVSA-N 2 1 233.359 1.556 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934381828 641136729 /nfs/dbraw/zinc/13/67/29/641136729.db2.gz OGRJVLGTASMWDV-CYBMUJFWSA-N 2 1 249.358 1.883 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000232121509 641241299 /nfs/dbraw/zinc/24/12/99/641241299.db2.gz IMCIFNMUINIZEX-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088106537 641314878 /nfs/dbraw/zinc/31/48/78/641314878.db2.gz ZUZVDHKAOXCOBF-LLVKDONJSA-N 2 1 234.343 1.443 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088106537 641314880 /nfs/dbraw/zinc/31/48/80/641314880.db2.gz ZUZVDHKAOXCOBF-LLVKDONJSA-N 2 1 234.343 1.443 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929695177 641400215 /nfs/dbraw/zinc/40/02/15/641400215.db2.gz GDJHPRSMYIERGH-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP COC/C(C)=C/C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000929698905 641405232 /nfs/dbraw/zinc/40/52/32/641405232.db2.gz BXLMPCPKKIIWLX-GUNGLEHYSA-N 2 1 240.391 1.853 20 0 BDADMP COC/C(C)=C/C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000929698905 641405233 /nfs/dbraw/zinc/40/52/33/641405233.db2.gz BXLMPCPKKIIWLX-GUNGLEHYSA-N 2 1 240.391 1.853 20 0 BDADMP COC/C(C)=C/C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000929698905 641405235 /nfs/dbraw/zinc/40/52/35/641405235.db2.gz BXLMPCPKKIIWLX-GUNGLEHYSA-N 2 1 240.391 1.853 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)CC[N@H+]1C ZINC000157692705 641622318 /nfs/dbraw/zinc/62/23/18/641622318.db2.gz SWWBMZWMMBPRSN-AGIUHOORSA-N 2 1 224.348 1.751 20 0 BDADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000090079518 641696202 /nfs/dbraw/zinc/69/62/02/641696202.db2.gz FRUWOLCPYSGRER-IHRRRGAJSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+]1CCC[C@H]1CSC[C@@H]1C[NH+](C)CCO1 ZINC000917909095 642139286 /nfs/dbraw/zinc/13/92/86/642139286.db2.gz GMGQRQIWFMENST-RYUDHWBXSA-N 2 1 244.404 1.144 20 0 BDADMP C[N@H+]1CCC[C@H]1CSC[C@@H]1C[NH+](C)CCO1 ZINC000917909095 642139289 /nfs/dbraw/zinc/13/92/89/642139289.db2.gz GMGQRQIWFMENST-RYUDHWBXSA-N 2 1 244.404 1.144 20 0 BDADMP C[NH+]1CCC[C@H]1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000917909095 642139292 /nfs/dbraw/zinc/13/92/92/642139292.db2.gz GMGQRQIWFMENST-RYUDHWBXSA-N 2 1 244.404 1.144 20 0 BDADMP C[NH+]1CCC[C@H]1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000917909095 642139299 /nfs/dbraw/zinc/13/92/99/642139299.db2.gz GMGQRQIWFMENST-RYUDHWBXSA-N 2 1 244.404 1.144 20 0 BDADMP C[N@@H+]1CCO[C@@H](CSCC[NH+]2CCCC2)C1 ZINC000917909284 642140498 /nfs/dbraw/zinc/14/04/98/642140498.db2.gz JLEVZRPDEUBNIB-GFCCVEGCSA-N 2 1 244.404 1.146 20 0 BDADMP C[N@H+]1CCO[C@@H](CSCC[NH+]2CCCC2)C1 ZINC000917909284 642140503 /nfs/dbraw/zinc/14/05/03/642140503.db2.gz JLEVZRPDEUBNIB-GFCCVEGCSA-N 2 1 244.404 1.146 20 0 BDADMP CCc1c[nH]c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000891417002 642496829 /nfs/dbraw/zinc/49/68/29/642496829.db2.gz QGRXIOSQAXCFDO-UHFFFAOYSA-N 2 1 247.346 1.836 20 0 BDADMP CCOCC[N@@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233739372 642692008 /nfs/dbraw/zinc/69/20/08/642692008.db2.gz PGOBMDVRUFPTEA-NEPJUHHUSA-N 2 1 214.353 1.200 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420396397 642721035 /nfs/dbraw/zinc/72/10/35/642721035.db2.gz DEPZVBXHJHCSKG-CQSZACIVSA-N 2 1 248.374 1.410 20 0 BDADMP Cc1cc(NCC[N@H+](C)C(C)C)nc(N)[nH+]1 ZINC000082375799 643306930 /nfs/dbraw/zinc/30/69/30/643306930.db2.gz GXURBAQGCMYAHA-UHFFFAOYSA-N 2 1 223.324 1.119 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)C1CCC([NH3+])CC1 ZINC000082544762 643339625 /nfs/dbraw/zinc/33/96/25/643339625.db2.gz APYDWENXTOWEBX-HIFPTAJRSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000235262364 643375727 /nfs/dbraw/zinc/37/57/27/643375727.db2.gz CHVIQIIIMGPICZ-UPJWGTAASA-N 2 1 226.364 1.200 20 0 BDADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1nccs1 ZINC000082773486 643525280 /nfs/dbraw/zinc/52/52/80/643525280.db2.gz GKLBZZYRSDCGHA-QMMMGPOBSA-N 2 1 213.350 1.921 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(CCF)c1 ZINC000921619854 643627763 /nfs/dbraw/zinc/62/77/63/643627763.db2.gz QLRMBPCPFUKUSD-NSHDSACASA-N 2 1 242.342 1.282 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000084220865 643651476 /nfs/dbraw/zinc/65/14/76/643651476.db2.gz ZOOOPSILCRNBDZ-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000084216576 643651633 /nfs/dbraw/zinc/65/16/33/643651633.db2.gz YBCUHVYYOLPYPZ-ZYHUDNBSSA-N 2 1 223.320 1.590 20 0 BDADMP COCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)C ZINC000084385364 643660268 /nfs/dbraw/zinc/66/02/68/643660268.db2.gz QLTBRFBKMFHLRT-CYBMUJFWSA-N 2 1 228.380 1.590 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245243 643660433 /nfs/dbraw/zinc/66/04/33/643660433.db2.gz SRQPEGWUDDNMRO-CYBMUJFWSA-N 2 1 234.343 1.866 20 0 BDADMP COC(=O)CCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870127 643824654 /nfs/dbraw/zinc/82/46/54/643824654.db2.gz SCNVSOINHFOZHF-UHFFFAOYSA-N 2 1 228.336 1.141 20 0 BDADMP COC(OC)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922314165 643967636 /nfs/dbraw/zinc/96/76/36/643967636.db2.gz VGHPAZINGXIUQX-MNOVXSKESA-N 2 1 244.379 1.456 20 0 BDADMP COC(OC)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922314165 643967640 /nfs/dbraw/zinc/96/76/40/643967640.db2.gz VGHPAZINGXIUQX-MNOVXSKESA-N 2 1 244.379 1.456 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)C[NH+](C)C ZINC000922758627 644087441 /nfs/dbraw/zinc/08/74/41/644087441.db2.gz YGOAOTRJEMCIAM-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@H]1CCSC1)C[NH+](C)C ZINC000922754916 644087449 /nfs/dbraw/zinc/08/74/49/644087449.db2.gz VKDQJAFSHMDJCV-NEPJUHHUSA-N 2 1 246.420 1.296 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)C1CC1)C[NH+](C)C ZINC000922757921 644087898 /nfs/dbraw/zinc/08/78/98/644087898.db2.gz NXSXBSBEUPHFHO-ZYHUDNBSSA-N 2 1 214.353 1.341 20 0 BDADMP CCO[C@@H](C[NH2+]C1CCCC1)C[NH+](C)C ZINC000922760190 644089369 /nfs/dbraw/zinc/08/93/69/644089369.db2.gz KBVDGDULBSIIAD-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP CCO[C@@H](C[NH2+]CC(CC)CC)C[NH+](C)C ZINC000922762853 644089543 /nfs/dbraw/zinc/08/95/43/644089543.db2.gz ZDASSGBGHGDTHA-ZDUSSCGKSA-N 2 1 230.396 1.979 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279689 644312217 /nfs/dbraw/zinc/31/22/17/644312217.db2.gz BGBOFHCFNYIION-PBNFFQIGSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279689 644312221 /nfs/dbraw/zinc/31/22/21/644312221.db2.gz BGBOFHCFNYIION-PBNFFQIGSA-N 3 1 237.391 1.330 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282420 644315510 /nfs/dbraw/zinc/31/55/10/644315510.db2.gz VVFUGGRFYZOBGS-QWHCGFSZSA-N 2 1 228.380 1.454 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923281917 644316271 /nfs/dbraw/zinc/31/62/71/644316271.db2.gz JJEZVCWWSNXJMG-KGLIPLIRSA-N 2 1 242.407 1.988 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923282632 644317651 /nfs/dbraw/zinc/31/76/51/644317651.db2.gz XNEKVDSUQRXCCW-GJZGRUSLSA-N 2 1 248.370 1.261 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923282869 644318375 /nfs/dbraw/zinc/31/83/75/644318375.db2.gz YAIOFVFTRRBRGI-CHWSQXEVSA-N 2 1 228.380 1.598 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)Cc2ccccc21 ZINC000923299604 644326365 /nfs/dbraw/zinc/32/63/65/644326365.db2.gz XCGFVLPWHCCNAH-LVGORTOPSA-N 2 1 246.354 1.456 20 0 BDADMP NC[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293110 644328025 /nfs/dbraw/zinc/32/80/25/644328025.db2.gz NLVHRGNAHBADLI-GSPSYOTPSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293110 644328028 /nfs/dbraw/zinc/32/80/28/644328028.db2.gz NLVHRGNAHBADLI-GSPSYOTPSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293110 644328031 /nfs/dbraw/zinc/32/80/31/644328031.db2.gz NLVHRGNAHBADLI-GSPSYOTPSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293110 644328037 /nfs/dbraw/zinc/32/80/37/644328037.db2.gz NLVHRGNAHBADLI-GSPSYOTPSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923293614 644330551 /nfs/dbraw/zinc/33/05/51/644330551.db2.gz ZGWCDUXOAKFCQX-KGLIPLIRSA-N 2 1 234.343 1.013 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923293614 644330555 /nfs/dbraw/zinc/33/05/55/644330555.db2.gz ZGWCDUXOAKFCQX-KGLIPLIRSA-N 2 1 234.343 1.013 20 0 BDADMP C[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923292504 644330599 /nfs/dbraw/zinc/33/05/99/644330599.db2.gz YRLKWGYZASMEJQ-RLAWYHOSSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923292504 644330603 /nfs/dbraw/zinc/33/06/03/644330603.db2.gz YRLKWGYZASMEJQ-RLAWYHOSSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+](CC1CCCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308265 644337911 /nfs/dbraw/zinc/33/79/11/644337911.db2.gz AXKPGAXIHZRJQV-CYBMUJFWSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000923303313 644340339 /nfs/dbraw/zinc/34/03/39/644340339.db2.gz KPSLLFDKRQVAKB-AJNGGQMLSA-N 2 1 246.354 1.327 20 0 BDADMP CC[N@@H+](CCC[NH2+]C1CC1)C[C@H]1CCOC1 ZINC000923305595 644340848 /nfs/dbraw/zinc/34/08/48/644340848.db2.gz HFMUQVJEFJYZOK-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316326 644344824 /nfs/dbraw/zinc/34/48/24/644344824.db2.gz HQVYFYAJGDERCL-VOAKCMCISA-N 2 1 226.364 1.349 20 0 BDADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)C(C)C ZINC000923308935 644347606 /nfs/dbraw/zinc/34/76/06/644347606.db2.gz KCRDINUAJKDRQY-QWHCGFSZSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1ccc([C@H](O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000923330957 644348230 /nfs/dbraw/zinc/34/82/30/644348230.db2.gz DUXOOBURHJNTHF-CYBMUJFWSA-N 2 1 234.343 1.499 20 0 BDADMP [NH3+]C1(C[NH2+]C[C@H](O)c2ccc(F)cc2)CCC1 ZINC000923330865 644348625 /nfs/dbraw/zinc/34/86/25/644348625.db2.gz CPQAZSGYQDFAQL-LBPRGKRZSA-N 2 1 238.306 1.330 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333871 644353727 /nfs/dbraw/zinc/35/37/27/644353727.db2.gz YQHMKLAKCGUHDY-XQQFMLRXSA-N 2 1 228.380 1.453 20 0 BDADMP OCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000923335574 644356615 /nfs/dbraw/zinc/35/66/15/644356615.db2.gz NDRDCGCIXMQKFN-AWEZNQCLSA-N 2 1 249.358 1.018 20 0 BDADMP OCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000923335574 644356620 /nfs/dbraw/zinc/35/66/20/644356620.db2.gz NDRDCGCIXMQKFN-AWEZNQCLSA-N 2 1 249.358 1.018 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923350080 644363136 /nfs/dbraw/zinc/36/31/36/644363136.db2.gz ZQJQOPHFHHNUMD-GFCCVEGCSA-N 3 1 225.380 1.189 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923363591 644374821 /nfs/dbraw/zinc/37/48/21/644374821.db2.gz DAYNGBZGFZTYMS-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](CCc1cccc(F)c1)C1CC([NH3+])C1 ZINC000923363661 644375373 /nfs/dbraw/zinc/37/53/73/644375373.db2.gz XGZVWQLUNCNEAS-UHFFFAOYSA-N 2 1 222.307 1.790 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1[NH3+] ZINC000923365008 644376058 /nfs/dbraw/zinc/37/60/58/644376058.db2.gz BWLXAWGXSLDHSM-YUELXQCFSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1[NH3+] ZINC000923365008 644376061 /nfs/dbraw/zinc/37/60/61/644376061.db2.gz BWLXAWGXSLDHSM-YUELXQCFSA-N 2 1 248.370 1.259 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356899 644376658 /nfs/dbraw/zinc/37/66/58/644376658.db2.gz VOMRJNMLPGYGBM-ZIAGYGMSSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000923366185 644377366 /nfs/dbraw/zinc/37/73/66/644377366.db2.gz KOCJNCPNTDXLDJ-RKFYDKJMSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000923366185 644377372 /nfs/dbraw/zinc/37/73/72/644377372.db2.gz KOCJNCPNTDXLDJ-RKFYDKJMSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N ZINC000923366185 644377377 /nfs/dbraw/zinc/37/73/77/644377377.db2.gz KOCJNCPNTDXLDJ-RKFYDKJMSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N ZINC000923366185 644377387 /nfs/dbraw/zinc/37/73/87/644377387.db2.gz KOCJNCPNTDXLDJ-RKFYDKJMSA-N 2 1 237.391 1.186 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H](O)CC(F)(F)F ZINC000923366970 644378854 /nfs/dbraw/zinc/37/88/54/644378854.db2.gz BRVBSCZCUHXGDJ-JGVFFNPUSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923371063 644384275 /nfs/dbraw/zinc/38/42/75/644384275.db2.gz UYIILKVCTPNOSM-XDQVBPFNSA-N 2 1 242.407 1.760 20 0 BDADMP C(C[NH2+]C1CC1)CN1CCC2(CC[NH2+]C2)CC1 ZINC000923360194 644384673 /nfs/dbraw/zinc/38/46/73/644384673.db2.gz YFMCFXPGQIEXSZ-UHFFFAOYSA-N 2 1 237.391 1.204 20 0 BDADMP C[C@H]1CCCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923373607 644388667 /nfs/dbraw/zinc/38/86/67/644388667.db2.gz QNQRPPLTVMODPN-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923373444 644389593 /nfs/dbraw/zinc/38/95/93/644389593.db2.gz MWXSJKQTPIHGBI-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923373444 644389597 /nfs/dbraw/zinc/38/95/97/644389597.db2.gz MWXSJKQTPIHGBI-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000923377854 644391151 /nfs/dbraw/zinc/39/11/51/644391151.db2.gz QGGCUGQLXQDDKU-ZDUSSCGKSA-N 2 1 240.322 1.400 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000923377854 644391156 /nfs/dbraw/zinc/39/11/56/644391156.db2.gz QGGCUGQLXQDDKU-ZDUSSCGKSA-N 2 1 240.322 1.400 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923391916 644398535 /nfs/dbraw/zinc/39/85/35/644398535.db2.gz GRXAIOZNGAEZIO-UPJWGTAASA-N 2 1 228.380 1.595 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923391917 644399583 /nfs/dbraw/zinc/39/95/83/644399583.db2.gz GRXAIOZNGAEZIO-XQQFMLRXSA-N 2 1 228.380 1.595 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923387235 644400327 /nfs/dbraw/zinc/40/03/27/644400327.db2.gz WHMOBSSLWWOEQN-NSHDSACASA-N 2 1 216.369 1.453 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923387235 644400330 /nfs/dbraw/zinc/40/03/30/644400330.db2.gz WHMOBSSLWWOEQN-NSHDSACASA-N 2 1 216.369 1.453 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923415889 644409869 /nfs/dbraw/zinc/40/98/69/644409869.db2.gz SDVPVGZCWWXWIN-CMPLNLGQSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923408588 644412426 /nfs/dbraw/zinc/41/24/26/644412426.db2.gz CIOBQTUKRUDLPP-MNOVXSKESA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923408588 644412437 /nfs/dbraw/zinc/41/24/37/644412437.db2.gz CIOBQTUKRUDLPP-MNOVXSKESA-N 2 1 202.342 1.063 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413585 644416342 /nfs/dbraw/zinc/41/63/42/644416342.db2.gz RBGIZTXJNBVCOP-RFLLOBDJSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413585 644416346 /nfs/dbraw/zinc/41/63/46/644416346.db2.gz RBGIZTXJNBVCOP-RFLLOBDJSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413585 644416350 /nfs/dbraw/zinc/41/63/50/644416350.db2.gz RBGIZTXJNBVCOP-RFLLOBDJSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413585 644416353 /nfs/dbraw/zinc/41/63/53/644416353.db2.gz RBGIZTXJNBVCOP-RFLLOBDJSA-N 3 1 237.391 1.329 20 0 BDADMP C1=CC[C@@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@@H]2C1 ZINC000923415488 644416607 /nfs/dbraw/zinc/41/66/07/644416607.db2.gz QNZPIMCSXHZQKK-HZSPNIEDSA-N 2 1 248.370 1.263 20 0 BDADMP CSC[C@H](O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923424545 644419771 /nfs/dbraw/zinc/41/97/71/644419771.db2.gz SWZFDJPPYJNBGZ-FIQHERPVSA-N 2 1 246.420 1.158 20 0 BDADMP CSC[C@H](O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923424545 644419779 /nfs/dbraw/zinc/41/97/79/644419779.db2.gz SWZFDJPPYJNBGZ-FIQHERPVSA-N 2 1 246.420 1.158 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000923457026 644437233 /nfs/dbraw/zinc/43/72/33/644437233.db2.gz UJPLQVQKTJPVOE-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000923457026 644437238 /nfs/dbraw/zinc/43/72/38/644437238.db2.gz UJPLQVQKTJPVOE-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482318 644460366 /nfs/dbraw/zinc/46/03/66/644460366.db2.gz DGYROTWYWBUDAC-ZDUSSCGKSA-N 2 1 247.386 1.923 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000923481918 644460432 /nfs/dbraw/zinc/46/04/32/644460432.db2.gz VBIBLUPDHIFARZ-JTQLQIEISA-N 2 1 235.331 1.723 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495164 644462742 /nfs/dbraw/zinc/46/27/42/644462742.db2.gz UQSFFYIFNFYUEG-WDEREUQCSA-N 2 1 237.347 1.654 20 0 BDADMP Cc1nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000086403509 644466023 /nfs/dbraw/zinc/46/60/23/644466023.db2.gz WLQVOMJOAFJNHU-VHSXEESVSA-N 2 1 225.361 1.811 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C1CC1 ZINC000923489797 644465961 /nfs/dbraw/zinc/46/59/61/644465961.db2.gz LCHSPWCCKRFWQT-FPMFFAJLSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC000923493197 644467278 /nfs/dbraw/zinc/46/72/78/644467278.db2.gz FJSALJXBATUUCV-OLZOCXBDSA-N 3 1 227.396 1.422 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CC[C@H]1C[NH3+] ZINC000923491897 644467629 /nfs/dbraw/zinc/46/76/29/644467629.db2.gz UXTXOTGPMHTBJR-VWYCJHECSA-N 2 1 248.317 1.327 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492927 644468211 /nfs/dbraw/zinc/46/82/11/644468211.db2.gz ZMMCLKNNUKLUJP-KOLCDFICSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492929 644468533 /nfs/dbraw/zinc/46/85/33/644468533.db2.gz ZMMCLKNNUKLUJP-ONGXEEELSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493931 644469329 /nfs/dbraw/zinc/46/93/29/644469329.db2.gz JKESLHVMBBOWDW-WCQYABFASA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1C[NH3+] ZINC000923501994 644469643 /nfs/dbraw/zinc/46/96/43/644469643.db2.gz VFHCPKDVZLWQPY-YPMHNXCESA-N 2 1 219.332 1.498 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC2)CC[C@@H]1C[NH3+] ZINC000923494525 644471223 /nfs/dbraw/zinc/47/12/23/644471223.db2.gz YLXVZBFQQZDRSK-NWDGAFQWSA-N 3 1 225.380 1.045 20 0 BDADMP CCCCOC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500764 644472127 /nfs/dbraw/zinc/47/21/27/644472127.db2.gz OWZRCJPINMMOAC-RYUDHWBXSA-N 2 1 242.363 1.246 20 0 BDADMP CCCCOC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500764 644472134 /nfs/dbraw/zinc/47/21/34/644472134.db2.gz OWZRCJPINMMOAC-RYUDHWBXSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccno2)CC[C@@H]1C[NH3+] ZINC000923501124 644475904 /nfs/dbraw/zinc/47/59/04/644475904.db2.gz ZDQSVUILPYRTMD-NXEZZACHSA-N 2 1 209.293 1.091 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514843 644477731 /nfs/dbraw/zinc/47/77/31/644477731.db2.gz CMDRKZOVJRQHRE-MGPQQGTHSA-N 2 1 242.407 1.844 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923516214 644479423 /nfs/dbraw/zinc/47/94/23/644479423.db2.gz VEZDJVJVYRRZBH-QWHCGFSZSA-N 2 1 247.342 1.132 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923516214 644479426 /nfs/dbraw/zinc/47/94/26/644479426.db2.gz VEZDJVJVYRRZBH-QWHCGFSZSA-N 2 1 247.342 1.132 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1NCC[NH+]1CCCCC1 ZINC000089145770 644535955 /nfs/dbraw/zinc/53/59/55/644535955.db2.gz KCCMDXPJTQCAIL-ZIAGYGMSSA-N 2 1 239.407 1.579 20 0 BDADMP C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000089749316 644565380 /nfs/dbraw/zinc/56/53/80/644565380.db2.gz GBAISRMOYHXHFL-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP CCn1ccnc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091848030 644642262 /nfs/dbraw/zinc/64/22/62/644642262.db2.gz BXQOPFLAJYTSHY-UHFFFAOYSA-N 2 1 236.363 1.605 20 0 BDADMP CN(C[C@@H]1CCC[N@H+]1C)c1cc[nH+]c(CO)c1 ZINC000092633795 644664025 /nfs/dbraw/zinc/66/40/25/644664025.db2.gz WJTPHXOOUKSGQZ-ZDUSSCGKSA-N 2 1 235.331 1.104 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000094339206 644716647 /nfs/dbraw/zinc/71/66/47/644716647.db2.gz MCKSRWCYJAFQIG-MWLCHTKSSA-N 2 1 235.331 1.265 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCC[NH+](C)C ZINC000792202743 644791660 /nfs/dbraw/zinc/79/16/60/644791660.db2.gz FSKCZRQZXQRZNL-TXEJJXNPSA-N 2 1 242.363 1.354 20 0 BDADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000796749580 644813336 /nfs/dbraw/zinc/81/33/36/644813336.db2.gz YSEKCVPOPPREMU-REWJHTLYSA-N 2 1 237.391 1.153 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000796749580 644813341 /nfs/dbraw/zinc/81/33/41/644813341.db2.gz YSEKCVPOPPREMU-REWJHTLYSA-N 2 1 237.391 1.153 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000796749580 644813343 /nfs/dbraw/zinc/81/33/43/644813343.db2.gz YSEKCVPOPPREMU-REWJHTLYSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000796749580 644813347 /nfs/dbraw/zinc/81/33/47/644813347.db2.gz YSEKCVPOPPREMU-REWJHTLYSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000796749580 644813349 /nfs/dbraw/zinc/81/33/49/644813349.db2.gz YSEKCVPOPPREMU-REWJHTLYSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140427 644885318 /nfs/dbraw/zinc/88/53/18/644885318.db2.gz NJCHDMBXKWQWLR-HZSPNIEDSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@@H](CN2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140427 644885321 /nfs/dbraw/zinc/88/53/21/644885321.db2.gz NJCHDMBXKWQWLR-HZSPNIEDSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252739640 644896620 /nfs/dbraw/zinc/89/66/20/644896620.db2.gz FYQIRSCWRDWBLW-XYTAGDGMSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252739638 644897310 /nfs/dbraw/zinc/89/73/10/644897310.db2.gz FYQIRSCWRDWBLW-OFIBSPLFSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@]1(F)CNCC[N@H+](CCCCCCC[NH3+])C1 ZINC000843387928 645285795 /nfs/dbraw/zinc/28/57/95/645285795.db2.gz PYUFWJMKNAUAJS-ZDUSSCGKSA-N 2 1 245.386 1.529 20 0 BDADMP C[C@]1(F)CNCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843387928 645285803 /nfs/dbraw/zinc/28/58/03/645285803.db2.gz PYUFWJMKNAUAJS-ZDUSSCGKSA-N 2 1 245.386 1.529 20 0 BDADMP Cn1ccnc1[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000843389748 645289060 /nfs/dbraw/zinc/28/90/60/645289060.db2.gz QHQPPPPIPXAHRJ-QWHCGFSZSA-N 2 1 248.374 1.209 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000926572098 645291027 /nfs/dbraw/zinc/29/10/27/645291027.db2.gz FXQNMAJGHSUQNE-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccoc1 ZINC000926703232 645370457 /nfs/dbraw/zinc/37/04/57/645370457.db2.gz RNDOXYSLAFBKAC-PBWFPOADSA-N 2 1 234.343 1.752 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000927025366 645525797 /nfs/dbraw/zinc/52/57/97/645525797.db2.gz HLVBAMDFTROEQL-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000927030005 645529755 /nfs/dbraw/zinc/52/97/55/645529755.db2.gz VQTJDVGHBVUJOW-UPJWGTAASA-N 2 1 228.380 1.610 20 0 BDADMP C([C@H]1C[C@@]12CCOC2)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000886839622 645891721 /nfs/dbraw/zinc/89/17/21/645891721.db2.gz IRASIUFKHFTBCF-CHWSQXEVSA-N 2 1 236.359 1.241 20 0 BDADMP C[NH+](C)CCCN[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924538492 646058222 /nfs/dbraw/zinc/05/82/22/646058222.db2.gz BAECESZWQYRNFE-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924538492 646058226 /nfs/dbraw/zinc/05/82/26/646058226.db2.gz BAECESZWQYRNFE-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)CO ZINC000924917373 646133245 /nfs/dbraw/zinc/13/32/45/646133245.db2.gz PWQRXKOMWWKUKI-NWDGAFQWSA-N 2 1 230.396 1.713 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCO1 ZINC000924802758 646110771 /nfs/dbraw/zinc/11/07/71/646110771.db2.gz KMLXEMRKPXTVKD-RBKKPWLPSA-N 2 1 238.375 1.485 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccnnc1 ZINC000924871649 646121542 /nfs/dbraw/zinc/12/15/42/646121542.db2.gz FOUIZKHCBFUDMX-SNVBAGLBSA-N 2 1 231.303 1.332 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924874196 646124154 /nfs/dbraw/zinc/12/41/54/646124154.db2.gz QFOBQGILJKZPEE-XGNXJENSSA-N 2 1 249.358 1.739 20 0 BDADMP CC[N@H+](CC[NH2+]C1[C@H](C)COC[C@H]1C)C(C)C ZINC000924908453 646129907 /nfs/dbraw/zinc/12/99/07/646129907.db2.gz HEJONLRFVXCSKW-CHWSQXEVSA-N 2 1 242.407 1.977 20 0 BDADMP CC[N@@H+](CC[NH2+]C1[C@H](C)COC[C@H]1C)C(C)C ZINC000924908453 646129909 /nfs/dbraw/zinc/12/99/09/646129909.db2.gz HEJONLRFVXCSKW-CHWSQXEVSA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C(C)(C)CO ZINC000924917373 646133239 /nfs/dbraw/zinc/13/32/39/646133239.db2.gz PWQRXKOMWWKUKI-NWDGAFQWSA-N 2 1 230.396 1.713 20 0 BDADMP COC/C(C)=C/C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637262 646210552 /nfs/dbraw/zinc/21/05/52/646210552.db2.gz GAHXWTVOVVDKMV-YFTXEMMHSA-N 2 1 226.364 1.463 20 0 BDADMP COC/C(C)=C/C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637262 646210558 /nfs/dbraw/zinc/21/05/58/646210558.db2.gz GAHXWTVOVVDKMV-YFTXEMMHSA-N 2 1 226.364 1.463 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC000929637484 646215235 /nfs/dbraw/zinc/21/52/35/646215235.db2.gz JKGNISPOLGOYAY-NSHDSACASA-N 2 1 239.388 1.569 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000929637484 646215240 /nfs/dbraw/zinc/21/52/40/646215240.db2.gz JKGNISPOLGOYAY-NSHDSACASA-N 2 1 239.388 1.569 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C(C)C ZINC000929637668 646216592 /nfs/dbraw/zinc/21/65/92/646216592.db2.gz MOFNVUCVBUSZMZ-ZIAGYGMSSA-N 2 1 242.407 1.789 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929717940 646271230 /nfs/dbraw/zinc/27/12/30/646271230.db2.gz BCZANSIRNVVVQJ-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925479478 646291835 /nfs/dbraw/zinc/29/18/35/646291835.db2.gz BNEMAVLNRHKCKN-DCAQKATOSA-N 2 1 214.353 1.124 20 0 BDADMP C[NH+]1CCC(CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925492004 646298725 /nfs/dbraw/zinc/29/87/25/646298725.db2.gz GRIMCTLLCQBIOV-CYBMUJFWSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)N(C)C ZINC000925490381 646299423 /nfs/dbraw/zinc/29/94/23/646299423.db2.gz BCOWEVCLYDDMBI-WOPDTQHZSA-N 2 1 227.396 1.432 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CC2)C[C@H]1C ZINC000929783029 646309124 /nfs/dbraw/zinc/30/91/24/646309124.db2.gz YHRRUZBNEYEBEK-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CC2)C[C@H]1C ZINC000929783029 646309130 /nfs/dbraw/zinc/30/91/30/646309130.db2.gz YHRRUZBNEYEBEK-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CC2)C[C@H]1C ZINC000929783029 646309133 /nfs/dbraw/zinc/30/91/33/646309133.db2.gz YHRRUZBNEYEBEK-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925525650 646316653 /nfs/dbraw/zinc/31/66/53/646316653.db2.gz DKEXVMZYTRZCOD-MELADBBJSA-N 2 1 242.407 1.761 20 0 BDADMP C[C@H]1CCC[N@@H+](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925548493 646327372 /nfs/dbraw/zinc/32/73/72/646327372.db2.gz CITWUOKPZTVIDN-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925550947 646328775 /nfs/dbraw/zinc/32/87/75/646328775.db2.gz VDUVHRCZCJRHOE-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925555388 646331296 /nfs/dbraw/zinc/33/12/96/646331296.db2.gz FDXKQVLILAMJAV-GFCCVEGCSA-N 2 1 227.396 1.447 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000925573802 646342660 /nfs/dbraw/zinc/34/26/60/646342660.db2.gz PMMOMDBYOQFWEF-CQSZACIVSA-N 2 1 245.370 1.807 20 0 BDADMP Cn1cc(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000925577408 646343312 /nfs/dbraw/zinc/34/33/12/646343312.db2.gz OEWAIRWOHRPMGB-GFCCVEGCSA-N 2 1 236.363 1.083 20 0 BDADMP CC[C@@H](O)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925582019 646343717 /nfs/dbraw/zinc/34/37/17/646343717.db2.gz VSZYEBVDQOUOBL-MNOVXSKESA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925580501 646344024 /nfs/dbraw/zinc/34/40/24/646344024.db2.gz LCCMANXMIQZRET-MNOVXSKESA-N 2 1 214.353 1.124 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925587500 646349168 /nfs/dbraw/zinc/34/91/68/646349168.db2.gz NYWKOQJJUPGSOY-ZJUUUORDSA-N 2 1 214.378 1.612 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925614047 646362336 /nfs/dbraw/zinc/36/23/36/646362336.db2.gz WQKUCPUFJCTIDS-RYUDHWBXSA-N 2 1 226.364 1.412 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000925618841 646364516 /nfs/dbraw/zinc/36/45/16/646364516.db2.gz YOCHZYZCRDCLBA-GFCCVEGCSA-N 2 1 238.375 1.556 20 0 BDADMP CCC1(O)CCC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925617545 646365065 /nfs/dbraw/zinc/36/50/65/646365065.db2.gz XAUIPKJSCQUPJQ-NELGMTEASA-N 2 1 240.391 1.800 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925622757 646369989 /nfs/dbraw/zinc/36/99/89/646369989.db2.gz MQUHDJVSCTUAAW-RDBSUJKOSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925634248 646377557 /nfs/dbraw/zinc/37/75/57/646377557.db2.gz ISWXBXQWZLGIGG-SRVKXCTJSA-N 2 1 226.364 1.410 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000925642423 646384011 /nfs/dbraw/zinc/38/40/11/646384011.db2.gz SIMIURVKLDUVHO-NSHDSACASA-N 2 1 226.364 1.269 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000925641775 646384475 /nfs/dbraw/zinc/38/44/75/646384475.db2.gz BLOTUTXRHYAIHX-CYDGBPFRSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1nccs1 ZINC000925647865 646388763 /nfs/dbraw/zinc/38/87/63/646388763.db2.gz JLSKLXLWHNNWKE-ZJUUUORDSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCCCO)c1ccccc1 ZINC000925653755 646392853 /nfs/dbraw/zinc/39/28/53/646392853.db2.gz NSBHJKSWWKVOLY-OCCSQVGLSA-N 2 1 236.359 1.827 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925654726 646394185 /nfs/dbraw/zinc/39/41/85/646394185.db2.gz CFTIUQCRFWJMFN-SNVBAGLBSA-N 2 1 226.389 1.756 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000925666723 646398389 /nfs/dbraw/zinc/39/83/89/646398389.db2.gz VTNJLPXMSSKIMO-JTQLQIEISA-N 2 1 212.337 1.022 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925672848 646402356 /nfs/dbraw/zinc/40/23/56/646402356.db2.gz KVYQJXMATIEIMX-NEPJUHHUSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925673442 646403271 /nfs/dbraw/zinc/40/32/71/646403271.db2.gz XDZXDGGAHOTJPG-OUAUKWLOSA-N 2 1 226.389 1.612 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925675531 646405581 /nfs/dbraw/zinc/40/55/81/646405581.db2.gz JBIXGCOQLQVSBC-NXEZZACHSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925687194 646413626 /nfs/dbraw/zinc/41/36/26/646413626.db2.gz ZTGHNWIXRAWGBP-GRYCIOLGSA-N 2 1 224.348 1.428 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925692035 646417819 /nfs/dbraw/zinc/41/78/19/646417819.db2.gz YRAKJEBDCWXDQA-DRZSPHRISA-N 2 1 248.374 1.824 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925692131 646418172 /nfs/dbraw/zinc/41/81/72/646418172.db2.gz ZJENVMJRVSTMFB-YNEHKIRRSA-N 2 1 238.375 1.412 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CC1 ZINC000925699449 646423355 /nfs/dbraw/zinc/42/33/55/646423355.db2.gz OWGVAQYZEJMTKG-RQJABVFESA-N 2 1 238.375 1.519 20 0 BDADMP C1[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C12CC[NH2+]CC2 ZINC000925702519 646427363 /nfs/dbraw/zinc/42/73/63/646427363.db2.gz BABPBEPYHHKPQR-NEPJUHHUSA-N 3 1 235.375 1.003 20 0 BDADMP C1[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C12CC[NH2+]CC2 ZINC000925702522 646427763 /nfs/dbraw/zinc/42/77/63/646427763.db2.gz BABPBEPYHHKPQR-VXGBXAGGSA-N 3 1 235.375 1.003 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000925706676 646431028 /nfs/dbraw/zinc/43/10/28/646431028.db2.gz KGQLQIADNDXELL-YNEHKIRRSA-N 3 1 225.380 1.249 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925709358 646434662 /nfs/dbraw/zinc/43/46/62/646434662.db2.gz IPUSJOQDIYVWIV-KGLIPLIRSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H](CCCC[NH3+])N[C@@H]1CC[NH2+]C1(C)C ZINC000925713353 646439266 /nfs/dbraw/zinc/43/92/66/646439266.db2.gz XQELUTAIZOIEOM-WDEREUQCSA-N 2 1 213.369 1.234 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000925725282 646449453 /nfs/dbraw/zinc/44/94/53/646449453.db2.gz ILOGYGMTNDZSTF-RJRAAQABSA-N 2 1 236.359 1.140 20 0 BDADMP C[C@@H](N[C@@H]1CC[NH2+]C1(C)C)C1CC[NH2+]CC1 ZINC000925727052 646450647 /nfs/dbraw/zinc/45/06/47/646450647.db2.gz CBEPKXSQUYYCQR-ZYHUDNBSSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccnn1C ZINC000925727000 646452539 /nfs/dbraw/zinc/45/25/39/646452539.db2.gz BHMRFANKYLYDFP-ZMLRMANQSA-N 2 1 234.347 1.341 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1CCn2ccnc21 ZINC000925738262 646454774 /nfs/dbraw/zinc/45/47/74/646454774.db2.gz PGSRWCNMCUCCQP-VIFPVBQESA-N 2 1 208.309 1.045 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925732634 646455942 /nfs/dbraw/zinc/45/59/42/646455942.db2.gz ZHEBSTXFQFSEGY-PSPOIRCVSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@H]([NH3+])[C@H](NCC1CC([NH3+])C1)c1ccccc1 ZINC000925732634 646455945 /nfs/dbraw/zinc/45/59/45/646455945.db2.gz ZHEBSTXFQFSEGY-PSPOIRCVSA-N 2 1 233.359 1.402 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccns1 ZINC000925733995 646458737 /nfs/dbraw/zinc/45/87/37/646458737.db2.gz YWZHQJJPFITVBO-VHSXEESVSA-N 2 1 211.334 1.155 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925733528 646459099 /nfs/dbraw/zinc/45/90/99/646459099.db2.gz WQLQSIVJRSPQTN-NEPJUHHUSA-N 2 1 240.391 1.922 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000925736363 646459675 /nfs/dbraw/zinc/45/96/75/646459675.db2.gz MKCHSFJZZZIFBB-DCAQKATOSA-N 2 1 235.331 1.570 20 0 BDADMP C[N@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@H]2CCC[C@@H]21 ZINC000925738049 646460260 /nfs/dbraw/zinc/46/02/60/646460260.db2.gz MGXQLYKTMJONFF-AGIUHOORSA-N 3 1 239.407 1.576 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]2CCC[C@@H]21 ZINC000925738049 646460263 /nfs/dbraw/zinc/46/02/63/646460263.db2.gz MGXQLYKTMJONFF-AGIUHOORSA-N 3 1 239.407 1.576 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]2CCC[C@@H]21 ZINC000925738049 646460267 /nfs/dbraw/zinc/46/02/67/646460267.db2.gz MGXQLYKTMJONFF-AGIUHOORSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000925781086 646476996 /nfs/dbraw/zinc/47/69/96/646476996.db2.gz CZNFSGDZIPGIKY-SYLRKERUSA-N 2 1 238.375 1.388 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925783505 646479900 /nfs/dbraw/zinc/47/99/00/646479900.db2.gz CXWPHBIWQJXSCT-VOAKCMCISA-N 2 1 239.407 1.338 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925800284 646486555 /nfs/dbraw/zinc/48/65/55/646486555.db2.gz YHIATTDEMVERIU-SYQHCUMBSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000925800284 646486560 /nfs/dbraw/zinc/48/65/60/646486560.db2.gz YHIATTDEMVERIU-SYQHCUMBSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCCN1 ZINC000925798370 646486762 /nfs/dbraw/zinc/48/67/62/646486762.db2.gz WHQUBJLHBFAPHB-XJFOESAGSA-N 2 1 239.407 1.352 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925797726 646486982 /nfs/dbraw/zinc/48/69/82/646486982.db2.gz VLFWQGMWNOJRAW-FDYHWXHSSA-N 2 1 237.391 1.092 20 0 BDADMP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798223 646487398 /nfs/dbraw/zinc/48/73/98/646487398.db2.gz VMRYVOLXDFFOHK-WCQYABFASA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000925803593 646488058 /nfs/dbraw/zinc/48/80/58/646488058.db2.gz RSIAEFZHSAYOGB-YIYPIFLZSA-N 2 1 239.407 1.482 20 0 BDADMP C(CC[NH2+][C@H]1CC[NH2+]C1)CCC1CC[NH2+]CC1 ZINC000925807476 646489470 /nfs/dbraw/zinc/48/94/70/646489470.db2.gz JXFDXKWSPARLHN-AWEZNQCLSA-N 3 1 239.407 1.498 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000925824431 646492197 /nfs/dbraw/zinc/49/21/97/646492197.db2.gz SVSXAOJLCHDBCB-NGFXDRFKSA-N 2 1 208.349 1.619 20 0 BDADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(C)c1 ZINC000925845102 646508106 /nfs/dbraw/zinc/50/81/06/646508106.db2.gz WXTXWRPNBIPUPG-IACUBPJLSA-N 2 1 248.374 1.603 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000925857535 646510126 /nfs/dbraw/zinc/51/01/26/646510126.db2.gz MLVATSKNOVMICF-UPJWGTAASA-N 2 1 228.380 1.658 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000925853967 646511090 /nfs/dbraw/zinc/51/10/90/646511090.db2.gz DCZYVPFRNBHNNV-IJLUTSLNSA-N 2 1 214.353 1.268 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C(C)(C)CO ZINC000926332158 646619468 /nfs/dbraw/zinc/61/94/68/646619468.db2.gz PPOMGXQSACDGPC-VXGBXAGGSA-N 2 1 230.396 1.713 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711969 711535713 /nfs/dbraw/zinc/53/57/13/711535713.db2.gz BWEPGFUHDIDAEV-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000132492891 711960035 /nfs/dbraw/zinc/96/00/35/711960035.db2.gz VDWSSWFMUQSKJH-KXNHARMFSA-N 2 1 228.405 1.940 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000703162657 712067194 /nfs/dbraw/zinc/06/71/94/712067194.db2.gz JLYQLRHLENLJKP-WNYYMSAVSA-N 2 1 212.337 1.081 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000708340094 712189509 /nfs/dbraw/zinc/18/95/09/712189509.db2.gz XYDXLFVEEQRMGS-RYUDHWBXSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708337481 712188957 /nfs/dbraw/zinc/18/89/57/712188957.db2.gz NMBQETBYSUJPRI-GRYCIOLGSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709796426 712227160 /nfs/dbraw/zinc/22/71/60/712227160.db2.gz WSGJTCHDZYFEGV-RKDXNWHRSA-N 2 1 224.270 1.711 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000711106651 712280675 /nfs/dbraw/zinc/28/06/75/712280675.db2.gz GULXXJZBNJRJTB-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000711463406 712304778 /nfs/dbraw/zinc/30/47/78/712304778.db2.gz OSQBWJCUEBAYTB-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP FC[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000711451268 712302552 /nfs/dbraw/zinc/30/25/52/712302552.db2.gz BWOXMBLFPUYTTO-VXGBXAGGSA-N 2 1 214.328 1.668 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000923479749 712334335 /nfs/dbraw/zinc/33/43/35/712334335.db2.gz SKZNWWAMERBUKB-LBPRGKRZSA-N 2 1 236.363 1.116 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]([NH+](C)C)[C@@H]2C)c(C)[nH+]1 ZINC000724782498 712393218 /nfs/dbraw/zinc/39/32/18/712393218.db2.gz CDGORNQWBUJVHL-GWCFXTLKSA-N 2 1 236.363 1.551 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713590861 712466213 /nfs/dbraw/zinc/46/62/13/712466213.db2.gz GUXNXXJLLWQDCZ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713590861 712466214 /nfs/dbraw/zinc/46/62/14/712466214.db2.gz GUXNXXJLLWQDCZ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000713735582 712470385 /nfs/dbraw/zinc/47/03/85/712470385.db2.gz PRGDNEPXVZCERM-GFSGRHGLSA-N 2 1 206.333 1.803 20 0 BDADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)O1 ZINC000714375669 712484378 /nfs/dbraw/zinc/48/43/78/712484378.db2.gz VWSGQDFUIHRVGP-RYUDHWBXSA-N 2 1 226.364 1.615 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000715463683 712519560 /nfs/dbraw/zinc/51/95/60/712519560.db2.gz XVRMHXMXZGLLJW-GARJFASQSA-N 2 1 230.302 1.573 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@H]1CCCC[NH2+]1 ZINC000380213357 712727156 /nfs/dbraw/zinc/72/71/56/712727156.db2.gz IPLMRXXAGOMZHX-RWMBFGLXSA-N 2 1 224.348 1.799 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1CCCC[NH2+]1 ZINC000380213359 712727165 /nfs/dbraw/zinc/72/71/65/712727165.db2.gz IPLMRXXAGOMZHX-XQQFMLRXSA-N 2 1 224.348 1.799 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719845565 712825561 /nfs/dbraw/zinc/82/55/61/712825561.db2.gz JPFRHGWSZWGILN-MNOVXSKESA-N 2 1 239.388 1.745 20 0 BDADMP C[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)CCO1 ZINC000719780392 712824871 /nfs/dbraw/zinc/82/48/71/712824871.db2.gz DQAUCCDNEJEGDQ-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)CCO1 ZINC000719780392 712824873 /nfs/dbraw/zinc/82/48/73/712824873.db2.gz DQAUCCDNEJEGDQ-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000720415091 712840996 /nfs/dbraw/zinc/84/09/96/712840996.db2.gz KODATGCFFGSPCO-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](Cc1ccon1)C1CCC([NH3+])CC1 ZINC000381469735 710640812 /nfs/dbraw/zinc/64/08/12/710640812.db2.gz NVOWHSRZEJJASG-UHFFFAOYSA-N 2 1 209.293 1.376 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000380456417 712900837 /nfs/dbraw/zinc/90/08/37/712900837.db2.gz KZMKMJUMUSUCAP-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000380456417 712900838 /nfs/dbraw/zinc/90/08/38/712900838.db2.gz KZMKMJUMUSUCAP-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000380458763 712901108 /nfs/dbraw/zinc/90/11/08/712901108.db2.gz VIXXQCBMEWVBQI-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000380458763 712901109 /nfs/dbraw/zinc/90/11/09/712901109.db2.gz VIXXQCBMEWVBQI-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@H](C1CC1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380467000 712901183 /nfs/dbraw/zinc/90/11/83/712901183.db2.gz ZTFLLUBMKDEMPX-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](C1CC1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000380467000 712901184 /nfs/dbraw/zinc/90/11/84/712901184.db2.gz ZTFLLUBMKDEMPX-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000723096085 710725213 /nfs/dbraw/zinc/72/52/13/710725213.db2.gz DZYHWRWDXZDNMS-HZSPNIEDSA-N 2 1 237.391 1.012 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396712763 710907036 /nfs/dbraw/zinc/90/70/36/710907036.db2.gz RRTSVNZABPCEEH-TUAOUCFPSA-N 2 1 214.353 1.268 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396577110 710907402 /nfs/dbraw/zinc/90/74/02/710907402.db2.gz CZEJCHWSRXMVQJ-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC3(CCC3)C2)C1 ZINC000380585828 712901876 /nfs/dbraw/zinc/90/18/76/712901876.db2.gz ZXKPAMFVRBUYLH-NWDGAFQWSA-N 2 1 208.349 1.990 20 0 BDADMP CC[C@H]1[C@@H](C)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000384165379 710989938 /nfs/dbraw/zinc/98/99/38/710989938.db2.gz RBZOEXFVHLZMBI-RNJOBUHISA-N 2 1 210.365 1.962 20 0 BDADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C ZINC000385289643 711009907 /nfs/dbraw/zinc/00/99/07/711009907.db2.gz BYAQDMJEVUZNJM-UTUOFQBUSA-N 2 1 210.365 1.962 20 0 BDADMP CC1(C)C[N@H+](CC2CCOCC2)C[C@H]1[NH3+] ZINC000388012090 711050057 /nfs/dbraw/zinc/05/00/57/711050057.db2.gz CVRXQPRSJOJTIB-LLVKDONJSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@@H+](CC2CCOCC2)C[C@H]1[NH3+] ZINC000388012090 711050062 /nfs/dbraw/zinc/05/00/62/711050062.db2.gz CVRXQPRSJOJTIB-LLVKDONJSA-N 2 1 212.337 1.082 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000389630398 711083658 /nfs/dbraw/zinc/08/36/58/711083658.db2.gz LZWCANVUMKNPJG-IJLUTSLNSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000390295773 711111118 /nfs/dbraw/zinc/11/11/18/711111118.db2.gz APMSCVUHTCHCQV-DZGCQCFKSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000390295773 711111119 /nfs/dbraw/zinc/11/11/19/711111119.db2.gz APMSCVUHTCHCQV-DZGCQCFKSA-N 2 1 248.370 1.872 20 0 BDADMP CC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000390446241 711118137 /nfs/dbraw/zinc/11/81/37/711118137.db2.gz XRNPZOMWPCLJAR-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000390446241 711118139 /nfs/dbraw/zinc/11/81/39/711118139.db2.gz XRNPZOMWPCLJAR-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP COC[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390501836 711122109 /nfs/dbraw/zinc/12/21/09/711122109.db2.gz VAPKPSRFLNVXPC-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392948809 711154382 /nfs/dbraw/zinc/15/43/82/711154382.db2.gz VHZKVGDBFIWYMG-QWHCGFSZSA-N 2 1 224.348 1.405 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000393787862 711174653 /nfs/dbraw/zinc/17/46/53/711174653.db2.gz FYEQJYLUWAEWGN-JQWIXIFHSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000393787862 711174657 /nfs/dbraw/zinc/17/46/57/711174657.db2.gz FYEQJYLUWAEWGN-JQWIXIFHSA-N 2 1 214.353 1.207 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)OC ZINC000396549620 711353123 /nfs/dbraw/zinc/35/31/23/711353123.db2.gz DGAXOYFPMMRUMD-AXFHLTTASA-N 2 1 200.326 1.142 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000396587446 711357193 /nfs/dbraw/zinc/35/71/93/711357193.db2.gz IGFXKECSQUJYFT-CHWSQXEVSA-N 2 1 240.391 1.659 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(=O)NC(C)(C)C ZINC000396611788 711359559 /nfs/dbraw/zinc/35/95/59/711359559.db2.gz REDQPLNHHOGOAL-QWRGUYRKSA-N 2 1 241.379 1.021 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000396723700 711368204 /nfs/dbraw/zinc/36/82/04/711368204.db2.gz UXWYUYQHLGPYFC-NWDGAFQWSA-N 2 1 222.336 1.003 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396674321 711364434 /nfs/dbraw/zinc/36/44/34/711364434.db2.gz RYSNWMUKOKHQCU-XQQFMLRXSA-N 2 1 228.380 1.515 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000396708654 711364481 /nfs/dbraw/zinc/36/44/81/711364481.db2.gz OKBOFTFNFROMII-PWSUYJOCSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CCOCC1 ZINC000397852991 711393721 /nfs/dbraw/zinc/39/37/21/711393721.db2.gz SYYGTXQYFFZNLR-CMPLNLGQSA-N 2 1 210.321 1.063 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)O1 ZINC000398050551 711400497 /nfs/dbraw/zinc/40/04/97/711400497.db2.gz WEQIIWIBJAGTKL-BWALOOPLSA-N 2 1 236.359 1.140 20 0 BDADMP OCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000381236595 710611259 /nfs/dbraw/zinc/61/12/59/710611259.db2.gz KWYXUZWEGULQDO-QWHCGFSZSA-N 2 1 226.364 1.080 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000392645029 711150894 /nfs/dbraw/zinc/15/08/94/711150894.db2.gz RADFWXWGXKPCIK-PWSUYJOCSA-N 2 1 235.331 1.360 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396691871 711364147 /nfs/dbraw/zinc/36/41/47/711364147.db2.gz LGQQHAGRFXYFRV-QJPTWQEYSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000396669767 711364905 /nfs/dbraw/zinc/36/49/05/711364905.db2.gz QKAHWDWSYIIOFR-AAEUAGOBSA-N 2 1 219.332 1.354 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396721254 711367704 /nfs/dbraw/zinc/36/77/04/711367704.db2.gz WCJRNYYIMHYJLW-DOMZBBRYSA-N 2 1 248.370 1.968 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000397708730 711388993 /nfs/dbraw/zinc/38/89/93/711388993.db2.gz OCCYSJWOHKNPJN-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000397852993 711393756 /nfs/dbraw/zinc/39/37/56/711393756.db2.gz SYYGTXQYFFZNLR-PWSUYJOCSA-N 2 1 210.321 1.063 20 0 BDADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000399617224 711432936 /nfs/dbraw/zinc/43/29/36/711432936.db2.gz RVNUMCBTDMTIIL-XJFOESAGSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000399617224 711432938 /nfs/dbraw/zinc/43/29/38/711432938.db2.gz RVNUMCBTDMTIIL-XJFOESAGSA-N 2 1 240.391 1.419 20 0 BDADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723647890 711530396 /nfs/dbraw/zinc/53/03/96/711530396.db2.gz SIYGGLDMNWIWJW-AAVRWANBSA-N 2 1 238.375 1.533 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000723704950 711535555 /nfs/dbraw/zinc/53/55/55/711535555.db2.gz MSFKPBCFAZVLBZ-QMMMGPOBSA-N 2 1 245.779 1.967 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713219 711535990 /nfs/dbraw/zinc/53/59/90/711535990.db2.gz UYJIFKQLNFJNCL-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C)[nH+]1 ZINC000724775851 711612938 /nfs/dbraw/zinc/61/29/38/711612938.db2.gz KVNNZHZCWZCVOR-OCCSQVGLSA-N 2 1 248.374 1.410 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(C)[nH+]1 ZINC000724775851 711612942 /nfs/dbraw/zinc/61/29/42/711612942.db2.gz KVNNZHZCWZCVOR-OCCSQVGLSA-N 2 1 248.374 1.410 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)[nH+]1 ZINC000724788910 711613823 /nfs/dbraw/zinc/61/38/23/711613823.db2.gz CPWVHBBMZPSGSL-PJXYFTJBSA-N 2 1 234.347 1.018 20 0 BDADMP Cc1[nH]c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC000724786307 711615208 /nfs/dbraw/zinc/61/52/08/711615208.db2.gz HNRDTERQFMNDCV-AWEZNQCLSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1[nH]c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC000724786307 711615210 /nfs/dbraw/zinc/61/52/10/711615210.db2.gz HNRDTERQFMNDCV-AWEZNQCLSA-N 2 1 248.374 1.554 20 0 BDADMP CC[N@H+](C[C@H](C)OC)C[C@H](O)C[NH+](C)C(C)C ZINC000383109738 711672317 /nfs/dbraw/zinc/67/23/17/711672317.db2.gz MUPBXMBBLCTWGN-QWHCGFSZSA-N 2 1 246.395 1.044 20 0 BDADMP CC[N@@H+](C[C@H](C)OC)C[C@H](O)C[NH+](C)C(C)C ZINC000383109738 711672318 /nfs/dbraw/zinc/67/23/18/711672318.db2.gz MUPBXMBBLCTWGN-QWHCGFSZSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C[C@H](C)OC)C[C@H](O)C[N@H+](C)C(C)C ZINC000383109738 711672319 /nfs/dbraw/zinc/67/23/19/711672319.db2.gz MUPBXMBBLCTWGN-QWHCGFSZSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C[C@H](C)OC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000383109738 711672320 /nfs/dbraw/zinc/67/23/20/711672320.db2.gz MUPBXMBBLCTWGN-QWHCGFSZSA-N 2 1 246.395 1.044 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257640202 711720870 /nfs/dbraw/zinc/72/08/70/711720870.db2.gz APNDVFLSEQSNLE-VXGBXAGGSA-N 2 1 226.389 1.567 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257640202 711720871 /nfs/dbraw/zinc/72/08/71/711720871.db2.gz APNDVFLSEQSNLE-VXGBXAGGSA-N 2 1 226.389 1.567 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711971 711730715 /nfs/dbraw/zinc/73/07/15/711730715.db2.gz BWEPGFUHDIDAEV-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H]1CC[N@H+](C/C=C/Cl)C[C@H]1C[NH3+] ZINC000253178631 711764432 /nfs/dbraw/zinc/76/44/32/711764432.db2.gz CCBWIFRVKYZHKZ-QWZJGYIASA-N 2 1 202.729 1.656 20 0 BDADMP C[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@H]1C[NH3+] ZINC000253178631 711764433 /nfs/dbraw/zinc/76/44/33/711764433.db2.gz CCBWIFRVKYZHKZ-QWZJGYIASA-N 2 1 202.729 1.656 20 0 BDADMP CC[NH+]1CCC(CC[NH2+]Cc2c[nH]cn2)CC1 ZINC000894298399 711767686 /nfs/dbraw/zinc/76/76/86/711767686.db2.gz KKTFZFKJIPSXBG-UHFFFAOYSA-N 2 1 236.363 1.621 20 0 BDADMP CCc1cc(N[C@@H]2C[NH2+]CC2(C)C)nc(C)[nH+]1 ZINC000721865376 711792148 /nfs/dbraw/zinc/79/21/48/711792148.db2.gz JTWUCYFLNSOZTM-LLVKDONJSA-N 2 1 234.347 1.757 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000721911482 711917609 /nfs/dbraw/zinc/91/76/09/711917609.db2.gz JNJLPEZPBFLJIM-AVGNSLFASA-N 2 1 228.380 1.574 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](COC)C(C)C)CC[C@@H]1[NH3+] ZINC000721913815 711918391 /nfs/dbraw/zinc/91/83/91/711918391.db2.gz QDNNNIHELPZHOJ-RDBSUJKOSA-N 2 1 242.407 1.964 20 0 BDADMP COC[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000721916468 711918748 /nfs/dbraw/zinc/91/87/48/711918748.db2.gz XMKTYMMDOILBNG-QWHCGFSZSA-N 2 1 228.380 1.576 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000721919449 711920190 /nfs/dbraw/zinc/92/01/90/711920190.db2.gz LUKKIOZBLHVARG-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1C ZINC000156301144 711938982 /nfs/dbraw/zinc/93/89/82/711938982.db2.gz VQDYKPIHOHQMRG-NWDGAFQWSA-N 2 1 226.364 1.364 20 0 BDADMP COc1cncc(C[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000700010290 711982896 /nfs/dbraw/zinc/98/28/96/711982896.db2.gz CLXWCSPDWZDZDQ-NSHDSACASA-N 2 1 237.347 1.378 20 0 BDADMP COc1cncc(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000700039123 711983626 /nfs/dbraw/zinc/98/36/26/711983626.db2.gz XSEGYQGHDHVTBR-NSHDSACASA-N 2 1 237.347 1.520 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000700405585 711992134 /nfs/dbraw/zinc/99/21/34/711992134.db2.gz TYHYCWICEOZZOV-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000700405585 711992135 /nfs/dbraw/zinc/99/21/35/711992135.db2.gz TYHYCWICEOZZOV-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000700640065 712001267 /nfs/dbraw/zinc/00/12/67/712001267.db2.gz MCMPZTCREJDWLI-SNVBAGLBSA-N 2 1 239.750 1.906 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700788962 712005420 /nfs/dbraw/zinc/00/54/20/712005420.db2.gz SKVTVEUBXNAZTB-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700809701 712006312 /nfs/dbraw/zinc/00/63/12/712006312.db2.gz RPTXOZKLEDBXLQ-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCC3(O)CCC3)C[C@]2(C)C1 ZINC000702339613 712047887 /nfs/dbraw/zinc/04/78/87/712047887.db2.gz OORBRZFKNJFWEQ-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCC3(O)CCC3)C[C@]2(C)C1 ZINC000702339613 712047888 /nfs/dbraw/zinc/04/78/88/712047888.db2.gz OORBRZFKNJFWEQ-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCC3(O)CCC3)C[C@]2(C)C1 ZINC000702339613 712047890 /nfs/dbraw/zinc/04/78/90/712047890.db2.gz OORBRZFKNJFWEQ-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CCCF)CC[NH2+]1 ZINC000703161288 712067307 /nfs/dbraw/zinc/06/73/07/712067307.db2.gz AJTFIUYKWMEGCW-WDEREUQCSA-N 2 1 202.317 1.666 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703579829 712079652 /nfs/dbraw/zinc/07/96/52/712079652.db2.gz BIZIGFQPNSJMEU-WDEREUQCSA-N 2 1 214.378 1.281 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000703855590 712090980 /nfs/dbraw/zinc/09/09/80/712090980.db2.gz VQDLSSMZUJPJGR-CQLXCSJHSA-N 2 1 226.364 1.328 20 0 BDADMP CC[N@H+]1CC[C@H](CNCc2cncc(OC)c2)C1 ZINC000704207242 712101419 /nfs/dbraw/zinc/10/14/19/712101419.db2.gz LYWHKQPAKXKMIT-GFCCVEGCSA-N 2 1 249.358 1.522 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(OC)c2)C1 ZINC000704207242 712101420 /nfs/dbraw/zinc/10/14/20/712101420.db2.gz LYWHKQPAKXKMIT-GFCCVEGCSA-N 2 1 249.358 1.522 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cncc(OC)c2)C1 ZINC000704207242 712101421 /nfs/dbraw/zinc/10/14/21/712101421.db2.gz LYWHKQPAKXKMIT-GFCCVEGCSA-N 2 1 249.358 1.522 20 0 BDADMP C(C[C@H]1CCSC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000704840333 712118855 /nfs/dbraw/zinc/11/88/55/712118855.db2.gz XDQIOEUHOXKRPT-UWVGGRQHSA-N 2 1 200.351 1.081 20 0 BDADMP C(C[C@@H]1CCSC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000704840335 712119168 /nfs/dbraw/zinc/11/91/68/712119168.db2.gz XDQIOEUHOXKRPT-ZJUUUORDSA-N 2 1 200.351 1.081 20 0 BDADMP CCC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705657721 712134782 /nfs/dbraw/zinc/13/47/82/712134782.db2.gz FWHBEPLSUUHNHO-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705657721 712134783 /nfs/dbraw/zinc/13/47/83/712134783.db2.gz FWHBEPLSUUHNHO-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705657721 712134784 /nfs/dbraw/zinc/13/47/84/712134784.db2.gz FWHBEPLSUUHNHO-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705657721 712134786 /nfs/dbraw/zinc/13/47/86/712134786.db2.gz FWHBEPLSUUHNHO-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](O)CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705669009 712135182 /nfs/dbraw/zinc/13/51/82/712135182.db2.gz LHYLFSLEQKWAAW-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705669009 712135183 /nfs/dbraw/zinc/13/51/83/712135183.db2.gz LHYLFSLEQKWAAW-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705669009 712135184 /nfs/dbraw/zinc/13/51/84/712135184.db2.gz LHYLFSLEQKWAAW-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705669009 712135185 /nfs/dbraw/zinc/13/51/85/712135185.db2.gz LHYLFSLEQKWAAW-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[N@@H+](CCn1cccn1)C[C@@H]1CCCC[NH2+]C1 ZINC000707494287 712172317 /nfs/dbraw/zinc/17/23/17/712172317.db2.gz FIPDHIADFULEFQ-CYBMUJFWSA-N 2 1 236.363 1.205 20 0 BDADMP Cc1cnc(C[N@H+](C)C2CCC([NH3+])CC2)nc1 ZINC000707937299 712174046 /nfs/dbraw/zinc/17/40/46/712174046.db2.gz LSRDFBUMCHEGLI-UHFFFAOYSA-N 2 1 234.347 1.487 20 0 BDADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)C1CC([NH3+])C1 ZINC000708324128 712187420 /nfs/dbraw/zinc/18/74/20/712187420.db2.gz RQPCXYCEYAKGHI-VQXHTEKXSA-N 2 1 212.337 1.223 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708333195 712188110 /nfs/dbraw/zinc/18/81/10/712188110.db2.gz UTOVGSAJNCNORB-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)C1 ZINC000708334267 712188515 /nfs/dbraw/zinc/18/85/15/712188515.db2.gz YONPXMBQMGMQHN-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708332122 712188530 /nfs/dbraw/zinc/18/85/30/712188530.db2.gz PHLCUMQOWMGDJD-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000708347562 712190244 /nfs/dbraw/zinc/19/02/44/712190244.db2.gz JQQPAVHQDURORB-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+][C@H]1CCCCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000708998154 712205378 /nfs/dbraw/zinc/20/53/78/712205378.db2.gz LMIMTCGQOFSZJM-LSDHHAIUSA-N 2 1 248.370 1.923 20 0 BDADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000708998154 712205379 /nfs/dbraw/zinc/20/53/79/712205379.db2.gz LMIMTCGQOFSZJM-LSDHHAIUSA-N 2 1 248.370 1.923 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000709034167 712205740 /nfs/dbraw/zinc/20/57/40/712205740.db2.gz JLYQLRHLENLJKP-YFKTTZPYSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[N@@H+](C3CC3)C1)[NH2+]2 ZINC000709487734 712222666 /nfs/dbraw/zinc/22/26/66/712222666.db2.gz BRFSBNGTNKGYDP-OGMFBOKVSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[N@H+](C3CC3)C1)[NH2+]2 ZINC000709487734 712222669 /nfs/dbraw/zinc/22/26/69/712222669.db2.gz BRFSBNGTNKGYDP-OGMFBOKVSA-N 2 1 249.402 1.342 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709802742 712227221 /nfs/dbraw/zinc/22/72/21/712227221.db2.gz YQTONXHARKNMKX-DJLDLDEBSA-N 2 1 240.269 1.090 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709802742 712227224 /nfs/dbraw/zinc/22/72/24/712227224.db2.gz YQTONXHARKNMKX-DJLDLDEBSA-N 2 1 240.269 1.090 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2 ZINC000709821032 712228672 /nfs/dbraw/zinc/22/86/72/712228672.db2.gz DLIKXLZCTIXVJO-XQQFMLRXSA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCOCC1)C2 ZINC000709826725 712228901 /nfs/dbraw/zinc/22/89/01/712228901.db2.gz NBRWCKGBLYUFEO-XQQFMLRXSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cccnc1)C2 ZINC000709835650 712229410 /nfs/dbraw/zinc/22/94/10/712229410.db2.gz JOFHPMDEXWPECA-IHRRRGAJSA-N 2 1 231.343 1.436 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CC1)C2 ZINC000709862379 712230105 /nfs/dbraw/zinc/23/01/05/712230105.db2.gz NCQGKIHULRUCMY-AVGNSLFASA-N 2 1 208.349 1.988 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCCCNC1=O ZINC000710748394 712255871 /nfs/dbraw/zinc/25/58/71/712255871.db2.gz BOODWBHAZZQNIK-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCN1CCCC1=O ZINC000710834769 712257964 /nfs/dbraw/zinc/25/79/64/712257964.db2.gz QMJDNFZJJISUDQ-UHFFFAOYSA-N 2 1 241.379 1.060 20 0 BDADMP FC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000711443565 712300971 /nfs/dbraw/zinc/30/09/71/712300971.db2.gz MWGHIYCOWGNNQZ-GHMZBOCLSA-N 2 1 200.301 1.277 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000711591289 712311026 /nfs/dbraw/zinc/31/10/26/712311026.db2.gz WARXMVKJDXSELS-XQHKEYJVSA-N 2 1 240.416 1.669 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711586367 712311130 /nfs/dbraw/zinc/31/11/30/712311130.db2.gz JCGKOMLDYXGLTJ-YIZRAAEISA-N 2 1 236.331 1.264 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711586367 712311131 /nfs/dbraw/zinc/31/11/31/712311131.db2.gz JCGKOMLDYXGLTJ-YIZRAAEISA-N 2 1 236.331 1.264 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOC2CC2)CC[C@@H]1[NH3+] ZINC000711731114 712320072 /nfs/dbraw/zinc/32/00/72/712320072.db2.gz MAERFDKLNGBMDP-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOC1CC1 ZINC000711751857 712324890 /nfs/dbraw/zinc/32/48/90/712324890.db2.gz JCMOVTFTCFLNCN-LBPRGKRZSA-N 2 1 214.353 1.471 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000923480414 712335102 /nfs/dbraw/zinc/33/51/02/712335102.db2.gz YCODKYOBUKBWMR-FRRDWIJNSA-N 2 1 224.348 1.084 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378684127 712357361 /nfs/dbraw/zinc/35/73/61/712357361.db2.gz BJYOYYIRFCFLFU-MJBXVCDLSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378684127 712357362 /nfs/dbraw/zinc/35/73/62/712357362.db2.gz BJYOYYIRFCFLFU-MJBXVCDLSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCc2cccnc21)C[NH+](C)C ZINC000379789375 712399447 /nfs/dbraw/zinc/39/94/47/712399447.db2.gz JRAQZHTWHNPCFZ-YPMHNXCESA-N 2 1 233.359 1.856 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438263 712429746 /nfs/dbraw/zinc/42/97/46/712429746.db2.gz NURBPEZGRWNXPL-OLZOCXBDSA-N 2 1 238.375 1.759 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000712622704 712438853 /nfs/dbraw/zinc/43/88/53/712438853.db2.gz YLNOUYDEARIPOA-LLVKDONJSA-N 2 1 214.353 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712698355 712448629 /nfs/dbraw/zinc/44/86/29/712448629.db2.gz YFQSBRYCKHXFKS-UPJWGTAASA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712698355 712448630 /nfs/dbraw/zinc/44/86/30/712448630.db2.gz YFQSBRYCKHXFKS-UPJWGTAASA-N 2 1 208.349 1.846 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000713126311 712453467 /nfs/dbraw/zinc/45/34/67/712453467.db2.gz SVLICPJLQYHJGO-BETUJISGSA-N 2 1 238.375 1.629 20 0 BDADMP FC(F)(F)OCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000713399375 712459155 /nfs/dbraw/zinc/45/91/55/712459155.db2.gz YGRFLVHOPHBGCT-DTORHVGOSA-N 2 1 238.253 1.064 20 0 BDADMP FC(F)(F)OCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000713399375 712459156 /nfs/dbraw/zinc/45/91/56/712459156.db2.gz YGRFLVHOPHBGCT-DTORHVGOSA-N 2 1 238.253 1.064 20 0 BDADMP C=C/C=C/CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000713501169 712463573 /nfs/dbraw/zinc/46/35/73/712463573.db2.gz FSIPYTABMPDKBD-MUBLQREKSA-N 2 1 224.348 1.163 20 0 BDADMP C=C/C=C/CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000713501169 712463575 /nfs/dbraw/zinc/46/35/75/712463575.db2.gz FSIPYTABMPDKBD-MUBLQREKSA-N 2 1 224.348 1.163 20 0 BDADMP CC1(C)CC[C@@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)OC1 ZINC000713586217 712466281 /nfs/dbraw/zinc/46/62/81/712466281.db2.gz MEPMXBGKDQRULX-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000714444208 712489040 /nfs/dbraw/zinc/48/90/40/712489040.db2.gz RWACTOFEIOCEDQ-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000714932528 712500400 /nfs/dbraw/zinc/50/04/00/712500400.db2.gz PUBKBDHRNHQHEX-ZZVYKPCYSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000714932528 712500403 /nfs/dbraw/zinc/50/04/03/712500403.db2.gz PUBKBDHRNHQHEX-ZZVYKPCYSA-N 2 1 238.375 1.471 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000715406573 712517061 /nfs/dbraw/zinc/51/70/61/712517061.db2.gz BDXZZDIXEPNLCH-BBBLOLIVSA-N 2 1 216.275 1.183 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715434014 712518680 /nfs/dbraw/zinc/51/86/80/712518680.db2.gz FGBUQCDKJKGHSQ-BNOWGMLFSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715503834 712523752 /nfs/dbraw/zinc/52/37/52/712523752.db2.gz RJWDVNGCTHMBIL-DRZSPHRISA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716295173 712553854 /nfs/dbraw/zinc/55/38/54/712553854.db2.gz RAQYSWSGQQRRSG-OLZOCXBDSA-N 2 1 238.375 1.616 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716295177 712553936 /nfs/dbraw/zinc/55/39/36/712553936.db2.gz RAQYSWSGQQRRSG-STQMWFEESA-N 2 1 238.375 1.616 20 0 BDADMP C[N@@H+](CCCF)CC[C@@H]1CCC[NH2+]C1 ZINC000716807237 712575679 /nfs/dbraw/zinc/57/56/79/712575679.db2.gz XUNIGYMMFGNNOZ-NSHDSACASA-N 2 1 202.317 1.668 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000042896926 712720742 /nfs/dbraw/zinc/72/07/42/712720742.db2.gz CLRDXJPHMYNTOX-GFCCVEGCSA-N 2 1 220.316 1.346 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717957833 712735218 /nfs/dbraw/zinc/73/52/18/712735218.db2.gz UBUYTTRFZILUEK-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000717970604 712735945 /nfs/dbraw/zinc/73/59/45/712735945.db2.gz PJDNLNZBPHGHRR-RNJOBUHISA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])c1ccc2c(c1)CCC2 ZINC000037712684 712744979 /nfs/dbraw/zinc/74/49/79/712744979.db2.gz NPQFXQVAJMMAFX-JTQLQIEISA-N 2 1 204.317 1.785 20 0 BDADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC000719620164 712817352 /nfs/dbraw/zinc/81/73/52/712817352.db2.gz VEWMMZWNKFZYGI-WYTNZGFTSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000719620164 712817353 /nfs/dbraw/zinc/81/73/53/712817353.db2.gz VEWMMZWNKFZYGI-WYTNZGFTSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000719620164 712817354 /nfs/dbraw/zinc/81/73/54/712817354.db2.gz VEWMMZWNKFZYGI-WYTNZGFTSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC000719620164 712817355 /nfs/dbraw/zinc/81/73/55/712817355.db2.gz VEWMMZWNKFZYGI-WYTNZGFTSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC000719620164 712817356 /nfs/dbraw/zinc/81/73/56/712817356.db2.gz VEWMMZWNKFZYGI-WYTNZGFTSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000719784585 712824448 /nfs/dbraw/zinc/82/44/48/712824448.db2.gz YEFMIQMVZKJQRC-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C)CC2)CC[NH2+]1 ZINC000719777927 712824994 /nfs/dbraw/zinc/82/49/94/712824994.db2.gz JLMSCVWTCPEXBS-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720145250 712827731 /nfs/dbraw/zinc/82/77/31/712827731.db2.gz WBHBHZYZMQHVDI-STQMWFEESA-N 2 1 240.391 1.923 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000720387984 712838004 /nfs/dbraw/zinc/83/80/04/712838004.db2.gz AAVVJIWRCLGENN-ZWNOBZJWSA-N 2 1 237.347 1.932 20 0 BDADMP Cc1conc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000720387984 712838006 /nfs/dbraw/zinc/83/80/06/712838006.db2.gz AAVVJIWRCLGENN-ZWNOBZJWSA-N 2 1 237.347 1.932 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720644673 712860580 /nfs/dbraw/zinc/86/05/80/712860580.db2.gz RPPDEUFWUYJCNP-SGMGOOAPSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720644673 712860582 /nfs/dbraw/zinc/86/05/82/712860582.db2.gz RPPDEUFWUYJCNP-SGMGOOAPSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720799391 712866282 /nfs/dbraw/zinc/86/62/82/712866282.db2.gz ZRDPBNKBVPGXMY-IMSYWVGJSA-N 2 1 236.281 1.711 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720820799 712868969 /nfs/dbraw/zinc/86/89/69/712868969.db2.gz NJRIGZFFLYHBJZ-RFGFWPKPSA-N 2 1 238.375 1.615 20 0 BDADMP CCC[C@@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720855632 712870741 /nfs/dbraw/zinc/87/07/41/712870741.db2.gz MHFKZJWGEHEHKU-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720875881 712872449 /nfs/dbraw/zinc/87/24/49/712872449.db2.gz XYCXBTIIDFWRDX-HPCHECBXSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CC[NH2+]CC1 ZINC000720872627 712873176 /nfs/dbraw/zinc/87/31/76/712873176.db2.gz ORNRAGISTPNVOA-KWCYVHTRSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CC([NH3+])C1 ZINC000720893101 712874436 /nfs/dbraw/zinc/87/44/36/712874436.db2.gz JFUIWZHVHJGWAE-RXDNMWQFSA-N 2 1 224.348 1.366 20 0 BDADMP Cc1cnc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C[NH3+])c1 ZINC001164633417 719225697 /nfs/dbraw/zinc/22/56/97/719225697.db2.gz DLRKJXDEKNQHQC-VXGBXAGGSA-N 2 1 248.374 1.378 20 0 BDADMP CCN(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603341 957089025 /nfs/dbraw/zinc/08/90/25/957089025.db2.gz BROIRMCBNQGKNR-CYBMUJFWSA-N 2 1 227.396 1.212 20 0 BDADMP C[C@H]([NH3+])c1ccc(N[C@H]2CC[N@@H+](C)C2)cc1 ZINC001167278427 957623002 /nfs/dbraw/zinc/62/30/02/957623002.db2.gz KAJSGUZPDVRFKE-GWCFXTLKSA-N 2 1 219.332 1.822 20 0 BDADMP [NH3+][C@H](C[NH2+][C@]12C[C@H]1CCC2)CC(F)F ZINC000693183133 957820453 /nfs/dbraw/zinc/82/04/53/957820453.db2.gz FANIUJVZKFFHAI-KHQFGBGNSA-N 2 1 204.264 1.501 20 0 BDADMP Cc1c[nH+]c(N(C)CC2CC[NH+](C)CC2)c(N)c1 ZINC000090691288 721935816 /nfs/dbraw/zinc/93/58/16/721935816.db2.gz CTTIPYITCMIUKU-UHFFFAOYSA-N 2 1 248.374 1.750 20 0 BDADMP CC[N@@H+]1CCCN(c2cccc(N)[nH+]2)CC1 ZINC000307874575 958235364 /nfs/dbraw/zinc/23/53/64/958235364.db2.gz TXIOOXMCQABXHY-UHFFFAOYSA-N 2 1 220.320 1.196 20 0 BDADMP CC[N@H+]1CCCN(c2cccc(N)[nH+]2)CC1 ZINC000307874575 958235375 /nfs/dbraw/zinc/23/53/75/958235375.db2.gz TXIOOXMCQABXHY-UHFFFAOYSA-N 2 1 220.320 1.196 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000399037710 958488630 /nfs/dbraw/zinc/48/86/30/958488630.db2.gz OXZCZHLZYHMZTH-AGIUHOORSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+](CCC2CCOCC2)C1 ZINC000405791890 959510470 /nfs/dbraw/zinc/51/04/70/959510470.db2.gz LHVAHYBVBNRBMS-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](CCC2CCOCC2)C1 ZINC000405791890 959510478 /nfs/dbraw/zinc/51/04/78/959510478.db2.gz LHVAHYBVBNRBMS-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC000309332704 959849798 /nfs/dbraw/zinc/84/97/98/959849798.db2.gz JDOBOKKEZNNKTQ-ZDUSSCGKSA-N 2 1 226.364 1.474 20 0 BDADMP CC[C@]1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000393753669 959898293 /nfs/dbraw/zinc/89/82/93/959898293.db2.gz UVKDXRGBLSUQHL-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1(Cl)CC1 ZINC000695683475 960353834 /nfs/dbraw/zinc/35/38/34/960353834.db2.gz BAZXFAOIQKSMPT-VIFPVBQESA-N 2 1 216.756 1.830 20 0 BDADMP CN(CC[NH+]1CCCC1)c1cccc(N)[nH+]1 ZINC000087727419 961733391 /nfs/dbraw/zinc/73/33/91/961733391.db2.gz DDUYMNBLXLPKAW-UHFFFAOYSA-N 2 1 220.320 1.196 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C(F)F)CC[N@@H+]1C ZINC000698556040 965330079 /nfs/dbraw/zinc/33/00/79/965330079.db2.gz IAISDJUMRVYRJQ-YWVKMMECSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C(F)F)CC[N@H+]1C ZINC000698556040 965330093 /nfs/dbraw/zinc/33/00/93/965330093.db2.gz IAISDJUMRVYRJQ-YWVKMMECSA-N 2 1 236.306 1.075 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109747 965837036 /nfs/dbraw/zinc/83/70/36/965837036.db2.gz KZDVSFCKXUQIJP-CYBMUJFWSA-N 2 1 219.332 1.703 20 0 BDADMP C[NH+](C)C1CCC([NH2+]Cc2ncon2)CC1 ZINC000715281549 966175573 /nfs/dbraw/zinc/17/55/73/966175573.db2.gz ZLSFSVXSSXDIHG-UHFFFAOYSA-N 2 1 224.308 1.032 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1N ZINC001236210347 966310849 /nfs/dbraw/zinc/31/08/49/966310849.db2.gz CDJLSRFWNFBDHS-QWHCGFSZSA-N 2 1 225.380 1.188 20 0 BDADMP COCCCC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064123 967321409 /nfs/dbraw/zinc/32/14/09/967321409.db2.gz ISHYYJVIESTTCW-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP COCCCC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064123 967321423 /nfs/dbraw/zinc/32/14/23/967321423.db2.gz ISHYYJVIESTTCW-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171466 967410356 /nfs/dbraw/zinc/41/03/56/967410356.db2.gz SICIZKSBINTCFY-ZYHUDNBSSA-N 2 1 242.363 1.530 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171466 967410363 /nfs/dbraw/zinc/41/03/63/967410363.db2.gz SICIZKSBINTCFY-ZYHUDNBSSA-N 2 1 242.363 1.530 20 0 BDADMP COCOCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336693 968243496 /nfs/dbraw/zinc/24/34/96/968243496.db2.gz NIMKBFMNXQXVKL-GFCCVEGCSA-N 2 1 248.342 1.150 20 0 BDADMP COCOCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336693 968243504 /nfs/dbraw/zinc/24/35/04/968243504.db2.gz NIMKBFMNXQXVKL-GFCCVEGCSA-N 2 1 248.342 1.150 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](CO)C1 ZINC001207274465 968706102 /nfs/dbraw/zinc/70/61/02/968706102.db2.gz CRLQDTGRHCYXRP-GFCCVEGCSA-N 2 1 228.380 1.279 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275254 968707490 /nfs/dbraw/zinc/70/74/90/968707490.db2.gz LHSARRAOLYICAX-MNOVXSKESA-N 2 1 214.353 1.029 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001207282820 968717249 /nfs/dbraw/zinc/71/72/49/968717249.db2.gz PWOOGLCZPPYPPR-STQMWFEESA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001207282818 968717435 /nfs/dbraw/zinc/71/74/35/968717435.db2.gz PWOOGLCZPPYPPR-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001207480183 968798436 /nfs/dbraw/zinc/79/84/36/968798436.db2.gz WIGKOYGFIDOJRI-GFCCVEGCSA-N 2 1 214.328 1.762 20 0 BDADMP CC[N@H+](C)C1CC[NH+](CC2(C)COC2)CC1 ZINC001207800157 968886750 /nfs/dbraw/zinc/88/67/50/968886750.db2.gz LANBADYVUVDTMP-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CC2(C)COC2)CC1 ZINC001207800157 968886753 /nfs/dbraw/zinc/88/67/53/968886753.db2.gz LANBADYVUVDTMP-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CC1(C[NH+]2CCC([NH+]3CCC3)CC2)COC1 ZINC001207798756 968888032 /nfs/dbraw/zinc/88/80/32/968888032.db2.gz JCHNXLIDZMOCSJ-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001208107753 969000603 /nfs/dbraw/zinc/00/06/03/969000603.db2.gz KBCHBHWSNLUSFW-VXGBXAGGSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@H]2CO)CC1 ZINC001208105564 969003418 /nfs/dbraw/zinc/00/34/18/969003418.db2.gz XOWGPDLEHTZZAI-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001253187802 969109404 /nfs/dbraw/zinc/10/94/04/969109404.db2.gz JFHMDJFVOLZXDG-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cccs1 ZINC001253384491 969147687 /nfs/dbraw/zinc/14/76/87/969147687.db2.gz VRGQBNTWWKTIBC-JTQLQIEISA-N 2 1 242.388 1.587 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001208592283 969148303 /nfs/dbraw/zinc/14/83/03/969148303.db2.gz HAYFGTNTKNEPQM-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC001208597073 969148590 /nfs/dbraw/zinc/14/85/90/969148590.db2.gz BSOFBYNSILCIJT-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC001208595204 969152334 /nfs/dbraw/zinc/15/23/34/969152334.db2.gz RXWGMPJKIZESAN-UHFFFAOYSA-N 3 1 241.423 1.602 20 0 BDADMP CC[NH+]1CCC(C[N@H+](C)CCCN(C)C)CC1 ZINC001208595204 969152342 /nfs/dbraw/zinc/15/23/42/969152342.db2.gz RXWGMPJKIZESAN-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCCN(C)C)CC1 ZINC001208595204 969152349 /nfs/dbraw/zinc/15/23/49/969152349.db2.gz RXWGMPJKIZESAN-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(CCC3)C2)C1 ZINC001208608170 969164212 /nfs/dbraw/zinc/16/42/12/969164212.db2.gz QVWUKEDOUPNQSK-GFCCVEGCSA-N 2 1 208.349 1.814 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205992829 969219898 /nfs/dbraw/zinc/21/98/98/969219898.db2.gz GCJMMRANJXMERQ-VXGBXAGGSA-N 2 1 221.348 1.822 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+](C)CCC[NH+](C)C ZINC001208916120 969298752 /nfs/dbraw/zinc/29/87/52/969298752.db2.gz PSAYFOHKZRPGTA-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+](C)CCC[NH+](C)C ZINC001208916120 969298755 /nfs/dbraw/zinc/29/87/55/969298755.db2.gz PSAYFOHKZRPGTA-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@](C)(O)C1)C2 ZINC001169127139 969434805 /nfs/dbraw/zinc/43/48/05/969434805.db2.gz ZYTKEHUATOLYML-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@](C)(O)C1)C2 ZINC001169127139 969434810 /nfs/dbraw/zinc/43/48/10/969434810.db2.gz ZYTKEHUATOLYML-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001209731077 969591453 /nfs/dbraw/zinc/59/14/53/969591453.db2.gz NDWIHCAQAATPOE-SNVBAGLBSA-N 2 1 223.295 1.676 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H](CF)C1 ZINC001209731077 969591456 /nfs/dbraw/zinc/59/14/56/969591456.db2.gz NDWIHCAQAATPOE-SNVBAGLBSA-N 2 1 223.295 1.676 20 0 BDADMP CCN(CC[NH+](C)C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515945 969690352 /nfs/dbraw/zinc/69/03/52/969690352.db2.gz HBLXKQIZKJNZMS-ZDUSSCGKSA-N 2 1 227.396 1.354 20 0 BDADMP CN(C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254517048 969694114 /nfs/dbraw/zinc/69/41/14/969694114.db2.gz RLVPCNGHUKPVOA-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCC[C@@H]1O ZINC001254517655 969703194 /nfs/dbraw/zinc/70/31/94/969703194.db2.gz XPYVHZUVQIRDGM-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCC[C@@H]1O ZINC001254517655 969703200 /nfs/dbraw/zinc/70/32/00/969703200.db2.gz XPYVHZUVQIRDGM-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522583 969711865 /nfs/dbraw/zinc/71/18/65/969711865.db2.gz HKIXQACJLYXNDO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C[C@H]1CCCCO1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522583 969711873 /nfs/dbraw/zinc/71/18/73/969711873.db2.gz HKIXQACJLYXNDO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C[C@H]1CCCCO1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522583 969711879 /nfs/dbraw/zinc/71/18/79/969711879.db2.gz HKIXQACJLYXNDO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CSCC[N@@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254528768 969716098 /nfs/dbraw/zinc/71/60/98/969716098.db2.gz AEBBVZWFUBOMIW-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP CSCC[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254528768 969716101 /nfs/dbraw/zinc/71/61/01/969716101.db2.gz AEBBVZWFUBOMIW-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP CSCC[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254528768 969716107 /nfs/dbraw/zinc/71/61/07/969716107.db2.gz AEBBVZWFUBOMIW-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254524992 969718713 /nfs/dbraw/zinc/71/87/13/969718713.db2.gz FPMQDISIXZISPW-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254524992 969718719 /nfs/dbraw/zinc/71/87/19/969718719.db2.gz FPMQDISIXZISPW-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254524992 969718720 /nfs/dbraw/zinc/71/87/20/969718720.db2.gz FPMQDISIXZISPW-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP CO[C@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254525797 969717401 /nfs/dbraw/zinc/71/74/01/969717401.db2.gz MFLLZWVNNKMTPC-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525797 969717405 /nfs/dbraw/zinc/71/74/05/969717405.db2.gz MFLLZWVNNKMTPC-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525797 969717411 /nfs/dbraw/zinc/71/74/11/969717411.db2.gz MFLLZWVNNKMTPC-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC(=O)[C@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532142 969728593 /nfs/dbraw/zinc/72/85/93/969728593.db2.gz QBXWHGFWKAMUGI-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254532142 969728599 /nfs/dbraw/zinc/72/85/99/969728599.db2.gz QBXWHGFWKAMUGI-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@H]1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254532142 969728602 /nfs/dbraw/zinc/72/86/02/969728602.db2.gz QBXWHGFWKAMUGI-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254532142 969728610 /nfs/dbraw/zinc/72/86/10/969728610.db2.gz QBXWHGFWKAMUGI-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2cccc(C[NH3+])c2)C1 ZINC001255470688 970199673 /nfs/dbraw/zinc/19/96/73/970199673.db2.gz NSCKHWFVHCRKKK-CYBMUJFWSA-N 2 1 219.332 1.651 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2cccnc2C[NH3+])C1 ZINC001255475330 970206317 /nfs/dbraw/zinc/20/63/17/970206317.db2.gz OLZUGERPWYUFAU-SNVBAGLBSA-N 2 1 220.320 1.046 20 0 BDADMP CCN(CC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC001255486462 970238733 /nfs/dbraw/zinc/23/87/33/970238733.db2.gz LPCHUIDULKVWKI-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)(C)C1CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001255496023 970261988 /nfs/dbraw/zinc/26/19/88/970261988.db2.gz IFUVRBJNWMSSKI-UHFFFAOYSA-N 2 1 242.407 1.844 20 0 BDADMP CC(C)(C)C1CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001255496023 970262008 /nfs/dbraw/zinc/26/20/08/970262008.db2.gz IFUVRBJNWMSSKI-UHFFFAOYSA-N 2 1 242.407 1.844 20 0 BDADMP CC[NH+](CC)CC[C@H](C)NC1C[NH+](C(C)C)C1 ZINC001255945036 970577851 /nfs/dbraw/zinc/57/78/51/970577851.db2.gz JAEBJMWDIFKKSE-ZDUSSCGKSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+](CC)CC[C@H](C)NCC1C[NH+](C)C1 ZINC001255949605 970584483 /nfs/dbraw/zinc/58/44/83/970584483.db2.gz ZFKFDOLJODAVKP-LBPRGKRZSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC001255955082 970589118 /nfs/dbraw/zinc/58/91/18/970589118.db2.gz NPPPWJVITOFSMN-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](O)C1 ZINC001255955082 970589125 /nfs/dbraw/zinc/58/91/25/970589125.db2.gz NPPPWJVITOFSMN-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC2(COC2)C1 ZINC001255956073 970593196 /nfs/dbraw/zinc/59/31/96/970593196.db2.gz GQNBHQXRNADJIH-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000400622460 970611597 /nfs/dbraw/zinc/61/15/97/970611597.db2.gz LLBRTOOQZVSZDB-PNESKVBLSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH+]1CCC([NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC001256202362 970704049 /nfs/dbraw/zinc/70/40/49/970704049.db2.gz WNPPKPGOTBNHKY-VXGBXAGGSA-N 2 1 208.349 1.813 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@H]12 ZINC001256208646 970712682 /nfs/dbraw/zinc/71/26/82/970712682.db2.gz LJTIXQALMLWKGG-RAIGVLPGSA-N 2 1 224.348 1.047 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@H]12 ZINC001256208646 970712689 /nfs/dbraw/zinc/71/26/89/970712689.db2.gz LJTIXQALMLWKGG-RAIGVLPGSA-N 2 1 224.348 1.047 20 0 BDADMP CC[NH+](CC)C1CCC([NH2+]CC(=O)OC)CC1 ZINC001173102200 975021288 /nfs/dbraw/zinc/02/12/88/975021288.db2.gz URCOXSYSLPBUON-UHFFFAOYSA-N 2 1 242.363 1.402 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC001173168608 975060391 /nfs/dbraw/zinc/06/03/91/975060391.db2.gz QCSREBZNIGJZRA-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)OCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332423415 975108027 /nfs/dbraw/zinc/10/80/27/975108027.db2.gz AZFIMGIQRLXPCD-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C2CC[NH+](CC)CC2)C1 ZINC001173365640 975346173 /nfs/dbraw/zinc/34/61/73/975346173.db2.gz MFUOEZWYJILHQE-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@@H]([NH+](C)C(C)C)C2)C1 ZINC001173366587 975350756 /nfs/dbraw/zinc/35/07/56/975350756.db2.gz ARZVHZAHHIVACX-ZIAGYGMSSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@@H]([N@H+](C)C(C)C)C2)C1 ZINC001173366587 975350764 /nfs/dbraw/zinc/35/07/64/975350764.db2.gz ARZVHZAHHIVACX-ZIAGYGMSSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@@H]([N@@H+](C)C(C)C)C2)C1 ZINC001173366587 975350772 /nfs/dbraw/zinc/35/07/72/975350772.db2.gz ARZVHZAHHIVACX-ZIAGYGMSSA-N 2 1 239.407 1.495 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC001173622927 975490744 /nfs/dbraw/zinc/49/07/44/975490744.db2.gz OKCVICXDSLXMJF-UTUOFQBUSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC001173622927 975490750 /nfs/dbraw/zinc/49/07/50/975490750.db2.gz OKCVICXDSLXMJF-UTUOFQBUSA-N 2 1 240.347 1.141 20 0 BDADMP CC[C@@H]1CNCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235769657 979146293 /nfs/dbraw/zinc/14/62/93/979146293.db2.gz TYLKJIBAKZWQGB-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@@H]1C[NH2+]CCN1CC1(C)CC[NH2+]CC1 ZINC001235769657 979146299 /nfs/dbraw/zinc/14/62/99/979146299.db2.gz TYLKJIBAKZWQGB-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981804 979239784 /nfs/dbraw/zinc/23/97/84/979239784.db2.gz XJVVNXLEFHKQMF-GWCFXTLKSA-N 2 1 224.348 1.415 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981804 979239799 /nfs/dbraw/zinc/23/97/99/979239799.db2.gz XJVVNXLEFHKQMF-GWCFXTLKSA-N 2 1 224.348 1.415 20 0 BDADMP CC1(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CCCCC1 ZINC001236014052 979295959 /nfs/dbraw/zinc/29/59/59/979295959.db2.gz DFKWLEXSRZQXHY-DGCLKSJQSA-N 2 1 208.349 1.990 20 0 BDADMP CC1(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CCCCC1 ZINC001236014052 979295970 /nfs/dbraw/zinc/29/59/70/979295970.db2.gz DFKWLEXSRZQXHY-DGCLKSJQSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](CC1CCSCC1)C2 ZINC001236013436 979298859 /nfs/dbraw/zinc/29/88/59/979298859.db2.gz AVTCYELDUXMOFY-QWRGUYRKSA-N 2 1 212.362 1.163 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](CC1CCSCC1)C2 ZINC001236013436 979298863 /nfs/dbraw/zinc/29/88/63/979298863.db2.gz AVTCYELDUXMOFY-QWRGUYRKSA-N 2 1 212.362 1.163 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1N ZINC001236210519 979449448 /nfs/dbraw/zinc/44/94/48/979449448.db2.gz DERWOQZFCIEQQF-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236210519 979449455 /nfs/dbraw/zinc/44/94/55/979449455.db2.gz DERWOQZFCIEQQF-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H](CO)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001351090689 982201770 /nfs/dbraw/zinc/20/17/70/982201770.db2.gz GIHCFRSPVNHLTE-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](CO)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001351090691 982204221 /nfs/dbraw/zinc/20/42/21/982204221.db2.gz GIHCFRSPVNHLTE-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC1CCC([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000082848516 983461289 /nfs/dbraw/zinc/46/12/89/983461289.db2.gz PYCUOWJNONKJFE-HTAVTVPLSA-N 2 1 212.337 1.225 20 0 BDADMP CC1CCC([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000082848516 983461295 /nfs/dbraw/zinc/46/12/95/983461295.db2.gz PYCUOWJNONKJFE-HTAVTVPLSA-N 2 1 212.337 1.225 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001252106625 983647117 /nfs/dbraw/zinc/64/71/17/983647117.db2.gz AAPSBAXKTYTODH-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP C[N@H+](C[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC001202445312 983664752 /nfs/dbraw/zinc/66/47/52/983664752.db2.gz WGVBLPFYNJIKDZ-NSHDSACASA-N 2 1 212.337 1.049 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC001202445312 983664762 /nfs/dbraw/zinc/66/47/62/983664762.db2.gz WGVBLPFYNJIKDZ-NSHDSACASA-N 2 1 212.337 1.049 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@@H](N)C1 ZINC001172456960 974821208 /nfs/dbraw/zinc/82/12/08/974821208.db2.gz KINPKVSBQSCXEO-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@@H](N)C1 ZINC001172456960 974821209 /nfs/dbraw/zinc/82/12/09/974821209.db2.gz KINPKVSBQSCXEO-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001172456960 974821211 /nfs/dbraw/zinc/82/12/11/974821211.db2.gz KINPKVSBQSCXEO-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001172456960 974821212 /nfs/dbraw/zinc/82/12/12/974821212.db2.gz KINPKVSBQSCXEO-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001172462612 974827862 /nfs/dbraw/zinc/82/78/62/974827862.db2.gz TXBVFHLPVSMXBP-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172462612 974827864 /nfs/dbraw/zinc/82/78/64/974827864.db2.gz TXBVFHLPVSMXBP-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CCO1 ZINC001246554132 972743626 /nfs/dbraw/zinc/74/36/26/972743626.db2.gz BFXKEIXTBAJZEP-AVGNSLFASA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])N([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001246558406 972777428 /nfs/dbraw/zinc/77/74/28/972777428.db2.gz QBJCNHZWIHJBOG-RDBSUJKOSA-N 2 1 239.407 1.530 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](F)CC2)CC[NH2+]1 ZINC001246558997 972783406 /nfs/dbraw/zinc/78/34/06/972783406.db2.gz NOLDZASYWKXFNV-UTUOFQBUSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CCC[N@@H+](C)C2)C1 ZINC001246559568 972789159 /nfs/dbraw/zinc/78/91/59/972789159.db2.gz RYYUDJJMEARDKW-UPJWGTAASA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CC[NH2+]CC2)CC1 ZINC001246579311 972918824 /nfs/dbraw/zinc/91/88/24/972918824.db2.gz UIDUUCCHQIRPSG-CYBMUJFWSA-N 3 1 225.380 1.189 20 0 BDADMP CC(C)CC[C@@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246620857 973040902 /nfs/dbraw/zinc/04/09/02/973040902.db2.gz AUEIVGNWINIEKK-ZIAGYGMSSA-N 2 1 239.407 1.448 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1CCC(F)(F)CC1)C2 ZINC001246862863 973178288 /nfs/dbraw/zinc/17/82/88/973178288.db2.gz SAZOWGWQQWLPOH-ONGXEEELSA-N 2 1 230.302 1.987 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256420153 970827461 /nfs/dbraw/zinc/82/74/61/970827461.db2.gz BFZRQBDBXXFPAK-MELADBBJSA-N 2 1 245.370 1.506 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001256420153 970827468 /nfs/dbraw/zinc/82/74/68/970827468.db2.gz BFZRQBDBXXFPAK-MELADBBJSA-N 2 1 245.370 1.506 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001256420153 970827469 /nfs/dbraw/zinc/82/74/69/970827469.db2.gz BFZRQBDBXXFPAK-MELADBBJSA-N 2 1 245.370 1.506 20 0 BDADMP CC(C)N(CC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614415 970878864 /nfs/dbraw/zinc/87/88/64/970878864.db2.gz QXTLWJCNHHMLPZ-FUNVUKJBSA-N 2 1 225.380 1.281 20 0 BDADMP CO[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256623347 970886500 /nfs/dbraw/zinc/88/65/00/970886500.db2.gz OHWXEICBXIAGAY-ZGVCCVRISA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256623347 970886505 /nfs/dbraw/zinc/88/65/05/970886505.db2.gz OHWXEICBXIAGAY-ZGVCCVRISA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256623347 970886508 /nfs/dbraw/zinc/88/65/08/970886508.db2.gz OHWXEICBXIAGAY-ZGVCCVRISA-N 2 1 224.348 1.332 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001256624333 970891638 /nfs/dbraw/zinc/89/16/38/970891638.db2.gz WZGBSMVVZCKLGF-BEUHCMRWSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@H]1O ZINC001256624333 970891643 /nfs/dbraw/zinc/89/16/43/970891643.db2.gz WZGBSMVVZCKLGF-BEUHCMRWSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@H]1O ZINC001256624333 970891648 /nfs/dbraw/zinc/89/16/48/970891648.db2.gz WZGBSMVVZCKLGF-BEUHCMRWSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@@H+](CC1COC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629186 970894539 /nfs/dbraw/zinc/89/45/39/970894539.db2.gz ZYJMVZQJQAIFLE-FUNVUKJBSA-N 2 1 224.348 1.190 20 0 BDADMP C[NH+](CC1COC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629186 970894540 /nfs/dbraw/zinc/89/45/40/970894540.db2.gz ZYJMVZQJQAIFLE-FUNVUKJBSA-N 2 1 224.348 1.190 20 0 BDADMP C[NH+](CC1COC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629186 970894547 /nfs/dbraw/zinc/89/45/47/970894547.db2.gz ZYJMVZQJQAIFLE-FUNVUKJBSA-N 2 1 224.348 1.190 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC001257214342 971126304 /nfs/dbraw/zinc/12/63/04/971126304.db2.gz BRYZUXBJYIHLOH-JSGCOSHPSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](O)CC2)CC1 ZINC001257213336 971126780 /nfs/dbraw/zinc/12/67/80/971126780.db2.gz LUQPUKRIDBKQNW-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405352398 971245065 /nfs/dbraw/zinc/24/50/65/971245065.db2.gz OZRSJGHLGWTCGT-FRRDWIJNSA-N 2 1 239.407 1.575 20 0 BDADMP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)sn1 ZINC000405384518 971249782 /nfs/dbraw/zinc/24/97/82/971249782.db2.gz KKCXWPQMOGEBDN-IUCAKERBSA-N 2 1 241.360 1.367 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)C12CCC2 ZINC000405532314 971262990 /nfs/dbraw/zinc/26/29/90/971262990.db2.gz YNCXRCPTJQHPBG-MELADBBJSA-N 2 1 246.354 1.580 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CO[C@H]1C ZINC000405534847 971270748 /nfs/dbraw/zinc/27/07/48/971270748.db2.gz AVJHEEIVDWFBNR-RVMXOQNASA-N 2 1 226.364 1.341 20 0 BDADMP C[N@@H+]1CCC2(C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276758271 971324022 /nfs/dbraw/zinc/32/40/22/971324022.db2.gz DJQYDCFQABLZMX-MJBXVCDLSA-N 2 1 232.371 1.836 20 0 BDADMP C[N@H+]1CCC2(C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276758271 971324034 /nfs/dbraw/zinc/32/40/34/971324034.db2.gz DJQYDCFQABLZMX-MJBXVCDLSA-N 2 1 232.371 1.836 20 0 BDADMP [NH3+]CCCC[C@@H]([NH3+])c1nnc(C2CCCC2)o1 ZINC001217699006 971335887 /nfs/dbraw/zinc/33/58/87/971335887.db2.gz IYVKQFVQYHXUME-SNVBAGLBSA-N 2 1 238.335 1.856 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001257502838 971422942 /nfs/dbraw/zinc/42/29/42/971422942.db2.gz WEKMUFYNUNVAHN-QWRGUYRKSA-N 2 1 230.352 1.293 20 0 BDADMP FC1(F)C[NH2+]C[C@@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217845285 971439762 /nfs/dbraw/zinc/43/97/62/971439762.db2.gz XFOVKWNKDRWDOP-MNOVXSKESA-N 2 1 248.317 1.390 20 0 BDADMP [NH3+]Cc1ccc(CO[C@H]2C[NH2+]CC2(F)F)cc1 ZINC001217845189 971442773 /nfs/dbraw/zinc/44/27/73/971442773.db2.gz WERFQNRFWBMTTL-NSHDSACASA-N 2 1 242.269 1.269 20 0 BDADMP CC(C)OC1CCC([NH2+][C@@H]2C[C@H]2[NH3+])CC1 ZINC001257873255 971512013 /nfs/dbraw/zinc/51/20/13/971512013.db2.gz QNLCUGZZWQRPGC-KIDURHIOSA-N 2 1 212.337 1.412 20 0 BDADMP [NH3+]CCc1c[nH+]cn1C1CCC2(COC2)CC1 ZINC001257895896 971528853 /nfs/dbraw/zinc/52/88/53/971528853.db2.gz INWMRNRTVUQVDJ-UHFFFAOYSA-N 2 1 235.331 1.516 20 0 BDADMP C[N@H+]1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1(C)C ZINC000216750311 971644974 /nfs/dbraw/zinc/64/49/74/971644974.db2.gz GVBGARBNMHKLAE-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]([NH3+])c1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001218237324 971646772 /nfs/dbraw/zinc/64/67/72/971646772.db2.gz NSXXBLQXQUUZHM-LDYMZIIASA-N 2 1 242.269 1.692 20 0 BDADMP CC(C)CC[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206154258 974324097 /nfs/dbraw/zinc/32/40/97/974324097.db2.gz ICLYVAGYKXUPDA-MNOVXSKESA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154258 974324110 /nfs/dbraw/zinc/32/41/10/974324110.db2.gz ICLYVAGYKXUPDA-MNOVXSKESA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154258 974324121 /nfs/dbraw/zinc/32/41/21/974324121.db2.gz ICLYVAGYKXUPDA-MNOVXSKESA-N 2 1 202.317 1.794 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC ZINC001135437469 971889802 /nfs/dbraw/zinc/88/98/02/971889802.db2.gz UYVAEALPKDRYAK-UHFFFAOYSA-N 2 1 243.395 1.224 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCOCC1 ZINC001170819847 971906395 /nfs/dbraw/zinc/90/63/95/971906395.db2.gz HZJXMOFFNCRCOU-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000310538285 971975517 /nfs/dbraw/zinc/97/55/17/971975517.db2.gz PVZVCCARJVQSEL-ZDUSSCGKSA-N 2 1 234.343 1.953 20 0 BDADMP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860516 971984292 /nfs/dbraw/zinc/98/42/92/971984292.db2.gz CVYHYCBZLSPWOA-RYUDHWBXSA-N 2 1 243.395 1.221 20 0 BDADMP CC(C)CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000190759754 972054929 /nfs/dbraw/zinc/05/49/29/972054929.db2.gz ULYPAVJDNYRMPL-CQSZACIVSA-N 2 1 242.407 1.859 20 0 BDADMP Cc1nc2cc(N[C@@H]([NH3+])CCC[NH3+])ccc2[nH]1 ZINC001170898577 972058805 /nfs/dbraw/zinc/05/88/05/972058805.db2.gz FIUUCYZHGRQAHV-GFCCVEGCSA-N 2 1 233.319 1.307 20 0 BDADMP Cc1cc[nH+]c2cc(N[C@@H]([NH3+])CCC[NH3+])ccc12 ZINC001170900497 972063113 /nfs/dbraw/zinc/06/31/13/972063113.db2.gz LVUVMRLNTNFXQW-CQSZACIVSA-N 3 1 244.342 1.979 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246024471 972118481 /nfs/dbraw/zinc/11/84/81/972118481.db2.gz VTNNPVFHXMNDEZ-YNEHKIRRSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246026590 972120981 /nfs/dbraw/zinc/12/09/81/972120981.db2.gz UVDDUQDLAQIXBL-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090614 972142100 /nfs/dbraw/zinc/14/21/00/972142100.db2.gz KVMKHWLIMDDWLU-GXTWGEPZSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)C[NH2+]1 ZINC001246098745 972151870 /nfs/dbraw/zinc/15/18/70/972151870.db2.gz RYGOXWMRVFATLN-DGAVXFQQSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106691 972169270 /nfs/dbraw/zinc/16/92/70/972169270.db2.gz DXKKBSVZILMTNH-YHQUGGNUSA-N 3 1 237.391 1.247 20 0 BDADMP C1CC2(C[C@@H]1[NH2+][C@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001246119483 972183415 /nfs/dbraw/zinc/18/34/15/972183415.db2.gz FNZKQUBYDRFDOL-OLZOCXBDSA-N 3 1 237.391 1.250 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3C[NH2+]CC34CC4)C[C@@H]21 ZINC001246131374 972189075 /nfs/dbraw/zinc/18/90/75/972189075.db2.gz JQQUMNIMCRABDS-USZNOCQGSA-N 2 1 220.360 1.763 20 0 BDADMP C[C@@H]1CC[C@@H](NCCCc2ccncc2)C[NH2+]1 ZINC001246177986 972207686 /nfs/dbraw/zinc/20/76/86/972207686.db2.gz XEWZQHSGJYTKCC-TZMCWYRMSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2ccncc2)C[NH2+]1 ZINC001246177986 972207690 /nfs/dbraw/zinc/20/76/90/972207690.db2.gz XEWZQHSGJYTKCC-TZMCWYRMSA-N 2 1 233.359 1.744 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246185172 972210563 /nfs/dbraw/zinc/21/05/63/972210563.db2.gz ABYLPDQDCICFAB-LLVKDONJSA-N 2 1 228.336 1.061 20 0 BDADMP C[N@H+]1CCC[C@H](NC[C@@H]2CCC[NH2+]C2)CC1 ZINC001246197655 972214774 /nfs/dbraw/zinc/21/47/74/972214774.db2.gz BSJZOKCNZVFYPO-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC001246197655 972214777 /nfs/dbraw/zinc/21/47/77/972214777.db2.gz BSJZOKCNZVFYPO-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC001246197655 972214782 /nfs/dbraw/zinc/21/47/82/972214782.db2.gz BSJZOKCNZVFYPO-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP COc1cc(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)ccn1 ZINC001246237492 972244729 /nfs/dbraw/zinc/24/47/29/972244729.db2.gz CBJCPKIYPFKUFP-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP C[NH+](C)[C@H]1CCCN(C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208610181 957090830 /nfs/dbraw/zinc/09/08/30/957090830.db2.gz ZNSIPDBZRLWVFJ-KBPBESRZSA-N 2 1 239.407 1.354 20 0 BDADMP CCC1(N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC001246238915 972244529 /nfs/dbraw/zinc/24/45/29/972244529.db2.gz WYOWPOVWYAZJJJ-OLZOCXBDSA-N 2 1 237.391 1.250 20 0 BDADMP COCOCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC001209029782 957284479 /nfs/dbraw/zinc/28/44/79/957284479.db2.gz OUMOMBBBQKDDSE-UHFFFAOYSA-N 2 1 244.379 1.415 20 0 BDADMP C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000705907029 957545094 /nfs/dbraw/zinc/54/50/94/957545094.db2.gz YRZNAQDTZXOODP-LBPRGKRZSA-N 2 1 247.342 1.426 20 0 BDADMP Cc1cncc(N[C@H]2CC[N@H+](C)C2)c1C ZINC001167278252 957624530 /nfs/dbraw/zinc/62/45/30/957624530.db2.gz DVRZOTXCMBUNJZ-NSHDSACASA-N 2 1 205.305 1.814 20 0 BDADMP C[N@H+]1CC[C@H](Nc2cccc3c2C[NH2+]CC3)C1 ZINC001167278924 957627423 /nfs/dbraw/zinc/62/74/23/957627423.db2.gz YGGOTIJJTJKCBK-LBPRGKRZSA-N 2 1 231.343 1.448 20 0 BDADMP CC(C)(C)[NH+]1CC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246444449 972318458 /nfs/dbraw/zinc/31/84/58/972318458.db2.gz ABMIXQCWPNKGTR-FOSCPWQOSA-N 2 1 237.391 1.342 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453293 972325516 /nfs/dbraw/zinc/32/55/16/972325516.db2.gz NCWWCQKILHGPPC-CYBMUJFWSA-N 3 1 229.412 1.729 20 0 BDADMP C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000693418787 958387315 /nfs/dbraw/zinc/38/73/15/958387315.db2.gz DJDSOTMESQNSOC-GRYCIOLGSA-N 2 1 214.353 1.207 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000398957816 958450302 /nfs/dbraw/zinc/45/03/02/958450302.db2.gz JRCLRRHULORGMN-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccncc2)C[NH2+]1 ZINC000398972183 958468454 /nfs/dbraw/zinc/46/84/54/958468454.db2.gz WZJANCXGHXZWFA-YPMHNXCESA-N 2 1 219.332 1.354 20 0 BDADMP CCCCOCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399002966 958481310 /nfs/dbraw/zinc/48/13/10/958481310.db2.gz UNILCMIYXCPKOX-OLZOCXBDSA-N 2 1 228.380 1.923 20 0 BDADMP CCCCOCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399002965 958483146 /nfs/dbraw/zinc/48/31/46/958483146.db2.gz UNILCMIYXCPKOX-CHWSQXEVSA-N 2 1 228.380 1.923 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C[NH2+]1 ZINC000399084984 958505143 /nfs/dbraw/zinc/50/51/43/958505143.db2.gz UCLOWASFDOYSHJ-WCQYABFASA-N 2 1 226.364 1.533 20 0 BDADMP CC(C)(O)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000707559042 958578454 /nfs/dbraw/zinc/57/84/54/958578454.db2.gz RSMFSCLOWLWROF-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP CCOCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001172408510 974667668 /nfs/dbraw/zinc/66/76/68/974667668.db2.gz JAGGCNOJZMNEJQ-LLVKDONJSA-N 2 1 225.336 1.596 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC000707700095 958677853 /nfs/dbraw/zinc/67/78/53/958677853.db2.gz RGYICBNVUVDCJR-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC000707700095 958677865 /nfs/dbraw/zinc/67/78/65/958677865.db2.gz RGYICBNVUVDCJR-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000724151673 958744297 /nfs/dbraw/zinc/74/42/97/958744297.db2.gz ITGZJIIIITWSOD-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000693548090 958763299 /nfs/dbraw/zinc/76/32/99/958763299.db2.gz ZPOQTQIHKWKFBK-LPEHRKFASA-N 2 1 236.281 1.998 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@](C)(CO)C1 ZINC001207274870 958843100 /nfs/dbraw/zinc/84/31/00/958843100.db2.gz GVIVPIQVGNEGEA-ZDUSSCGKSA-N 2 1 228.380 1.279 20 0 BDADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CCC[C@@H]1O ZINC001207276499 958850538 /nfs/dbraw/zinc/85/05/38/958850538.db2.gz YJMIXRRQYGOVLD-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000693566231 958856433 /nfs/dbraw/zinc/85/64/33/958856433.db2.gz DBLJWHOHQMSDPL-SDDRHHMPSA-N 2 1 214.328 1.795 20 0 BDADMP C[C@@H]1CSCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693584977 958888777 /nfs/dbraw/zinc/88/87/77/958888777.db2.gz GOKOLQNKQLLINH-GARJFASQSA-N 2 1 214.378 1.409 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1C ZINC000693587118 958892906 /nfs/dbraw/zinc/89/29/06/958892906.db2.gz YCCZMEJMEIWJST-NNYUYHANSA-N 2 1 212.337 1.081 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000693617866 959009750 /nfs/dbraw/zinc/00/97/50/959009750.db2.gz UMSPVSTWVOZOLF-YFKTTZPYSA-N 2 1 212.337 1.223 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000308868042 959101366 /nfs/dbraw/zinc/10/13/66/959101366.db2.gz RHYYKOYQDLWTAL-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)OCCO2)CC1(C)C ZINC001331277000 974669560 /nfs/dbraw/zinc/66/95/60/974669560.db2.gz DOFGFCYHAXSCPN-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)OCCO2)CC1(C)C ZINC001331277000 974669563 /nfs/dbraw/zinc/66/95/63/974669563.db2.gz DOFGFCYHAXSCPN-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167913319 959164203 /nfs/dbraw/zinc/16/42/03/959164203.db2.gz OHEQDNZGKVVADV-IMRBUKKESA-N 2 1 238.375 1.485 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529481 972418063 /nfs/dbraw/zinc/41/80/63/972418063.db2.gz KMQBXEHAFRRZTC-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP OCCCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222308680 972437990 /nfs/dbraw/zinc/43/79/90/972437990.db2.gz LEYOTVSTURRYQE-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC1(C)C)C2 ZINC000308966543 959550273 /nfs/dbraw/zinc/55/02/73/959550273.db2.gz MRFDAAIASNKLII-WRWGMCAJSA-N 2 1 208.349 2.000 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)sn1 ZINC000708825415 959858112 /nfs/dbraw/zinc/85/81/12/959858112.db2.gz NLDXDLKTWVUYDR-WCBMZHEXSA-N 2 1 225.361 1.478 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)sn1 ZINC000708825415 959858117 /nfs/dbraw/zinc/85/81/17/959858117.db2.gz NLDXDLKTWVUYDR-WCBMZHEXSA-N 2 1 225.361 1.478 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000708840836 959905492 /nfs/dbraw/zinc/90/54/92/959905492.db2.gz MEMACQPTLSNQQA-CMPLNLGQSA-N 2 1 248.326 1.442 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1C[NH3+] ZINC000708889116 960077667 /nfs/dbraw/zinc/07/76/67/960077667.db2.gz FUVVNDDEKFBYME-WCQYABFASA-N 2 1 226.364 1.330 20 0 BDADMP Cc1nc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)sc1C ZINC000708893515 960085236 /nfs/dbraw/zinc/08/52/36/960085236.db2.gz KUAGKKBNTPZPDK-GZMMTYOYSA-N 2 1 239.388 1.787 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)sc1C ZINC000708893515 960085245 /nfs/dbraw/zinc/08/52/45/960085245.db2.gz KUAGKKBNTPZPDK-GZMMTYOYSA-N 2 1 239.388 1.787 20 0 BDADMP c1cnc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cn1 ZINC001207437264 960095088 /nfs/dbraw/zinc/09/50/88/960095088.db2.gz GPZAEYWTHFCKGQ-AWEZNQCLSA-N 2 1 246.358 1.613 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000695184595 960148014 /nfs/dbraw/zinc/14/80/14/960148014.db2.gz JWVTUVFOLJHILO-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@@H]1COCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479506 960354241 /nfs/dbraw/zinc/35/42/41/960354241.db2.gz JVHDZKZDHHWJEF-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC1(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001222465619 972500824 /nfs/dbraw/zinc/50/08/24/972500824.db2.gz WFAXUPRMDGVREZ-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP CC1(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001222465619 972500829 /nfs/dbraw/zinc/50/08/29/972500829.db2.gz WFAXUPRMDGVREZ-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP COCC1C[NH+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799833 960576465 /nfs/dbraw/zinc/57/64/65/960576465.db2.gz NTMMSZREMZCFPH-UHFFFAOYSA-N 2 1 231.299 1.641 20 0 BDADMP OCCCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385619 960579601 /nfs/dbraw/zinc/57/96/01/960579601.db2.gz RRIOHMOCQQUHIW-CQSZACIVSA-N 2 1 240.391 1.757 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CO)CC2)CC[NH2+]1 ZINC000709467564 960614217 /nfs/dbraw/zinc/61/42/17/960614217.db2.gz UOZFVKAPBBTGBR-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488509 960622550 /nfs/dbraw/zinc/62/25/50/960622550.db2.gz BHCTVOQGKBFTNM-OCIKQUFWSA-N 2 1 224.348 1.115 20 0 BDADMP [NH3+]C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925702541 960699479 /nfs/dbraw/zinc/69/94/79/960699479.db2.gz BMILKVYGDCSEKW-AGIUHOORSA-N 2 1 237.391 1.378 20 0 BDADMP Cc1[nH+]c(N)ccc1CNc1cccc(C[NH3+])n1 ZINC001167787199 960890651 /nfs/dbraw/zinc/89/06/51/960890651.db2.gz TZGMXLPUZKJHMG-UHFFFAOYSA-N 2 1 243.314 1.438 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399001548 961057539 /nfs/dbraw/zinc/05/75/39/961057539.db2.gz TUNGNTJWYJWZJU-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724417766 961430640 /nfs/dbraw/zinc/43/06/40/961430640.db2.gz AIOMVYSEDCIMTE-NZEXEKPDSA-N 2 1 226.364 1.612 20 0 BDADMP N=C(Nc1cccc(C[NH3+])c1)SCC[NH3+] ZINC001167914528 961823440 /nfs/dbraw/zinc/82/34/40/961823440.db2.gz MKNQMNMAZMGKJN-UHFFFAOYSA-N 2 1 224.333 1.184 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C2CCC3(CC3)CC2)CCO1 ZINC000710201618 962344904 /nfs/dbraw/zinc/34/49/04/962344904.db2.gz YZIMENXVQWSSQU-GFCCVEGCSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C2CCC3(CC3)CC2)CCO1 ZINC000710201618 962344916 /nfs/dbraw/zinc/34/49/16/962344916.db2.gz YZIMENXVQWSSQU-GFCCVEGCSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000710302516 962360354 /nfs/dbraw/zinc/36/03/54/962360354.db2.gz GXZMRZJRDVRPDL-FZMZJTMJSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000710302516 962360360 /nfs/dbraw/zinc/36/03/60/962360360.db2.gz GXZMRZJRDVRPDL-FZMZJTMJSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167947633 962566187 /nfs/dbraw/zinc/56/61/87/962566187.db2.gz CLJIDUJPFPMJKL-RVOPOGNISA-N 2 1 220.360 1.668 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167947633 962566207 /nfs/dbraw/zinc/56/62/07/962566207.db2.gz CLJIDUJPFPMJKL-RVOPOGNISA-N 2 1 220.360 1.668 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167947633 962566229 /nfs/dbraw/zinc/56/62/29/962566229.db2.gz CLJIDUJPFPMJKL-RVOPOGNISA-N 2 1 220.360 1.668 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711449282 962706946 /nfs/dbraw/zinc/70/69/46/962706946.db2.gz DLSZFEYMVBTTTE-STQMWFEESA-N 2 1 246.370 1.371 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711449282 962706963 /nfs/dbraw/zinc/70/69/63/962706963.db2.gz DLSZFEYMVBTTTE-STQMWFEESA-N 2 1 246.370 1.371 20 0 BDADMP Cc1c[nH+]c(N[C@@H](C)CN2CC[NH2+]CC2)cc1C ZINC001154753402 962844034 /nfs/dbraw/zinc/84/40/34/962844034.db2.gz ORRJXGYZAJTFFF-ZDUSSCGKSA-N 2 1 248.374 1.404 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(NC[C@H]3C[NH2+][C@H](C)C3)c12 ZINC001155094839 962969603 /nfs/dbraw/zinc/96/96/03/962969603.db2.gz DTKQZWPVUPLTIJ-NXEZZACHSA-N 2 1 245.330 1.676 20 0 BDADMP Cc1cc[nH+]c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001156376572 963327722 /nfs/dbraw/zinc/32/77/22/963327722.db2.gz QHJSUXKCGKLEIO-TZMCWYRMSA-N 2 1 231.343 1.778 20 0 BDADMP CCN(C)c1cc(C)[nH+]c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001156575671 963388138 /nfs/dbraw/zinc/38/81/38/963388138.db2.gz KKQTWTBVPATJIL-NSHDSACASA-N 2 1 249.362 1.357 20 0 BDADMP CCN(C)c1cc(C)[nH+]c(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001156575671 963388149 /nfs/dbraw/zinc/38/81/49/963388149.db2.gz KKQTWTBVPATJIL-NSHDSACASA-N 2 1 249.362 1.357 20 0 BDADMP Cc1[nH+]c(N)ccc1CNc1cc(N)cc[nH+]1 ZINC001156974314 963502828 /nfs/dbraw/zinc/50/28/28/963502828.db2.gz HTBWEQGFBQYEKP-UHFFFAOYSA-N 2 1 229.287 1.562 20 0 BDADMP Cc1c[nH+]c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1N ZINC001157272124 963565969 /nfs/dbraw/zinc/56/59/69/963565969.db2.gz LAMFQBBSMDDHFZ-YPMHNXCESA-N 2 1 246.358 1.503 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCO[C@H](C)C1 ZINC001168073466 963605839 /nfs/dbraw/zinc/60/58/39/963605839.db2.gz CNZYRTWYKWKQBL-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP [NH3+]C[C@]1(F)CCN(c2ccc3c([nH+]2)CCCC3)C1 ZINC001157812541 963734676 /nfs/dbraw/zinc/73/46/76/963734676.db2.gz CGGRIMDKQGJRSC-CQSZACIVSA-N 2 1 249.333 1.838 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@@H](C)C3)C[C@@H]2C1 ZINC001168147040 963864370 /nfs/dbraw/zinc/86/43/70/963864370.db2.gz YSRBUTJJMJSDBO-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCO[C@@H](C)C3)C[C@@H]2C1 ZINC001168147040 963864372 /nfs/dbraw/zinc/86/43/72/963864372.db2.gz YSRBUTJJMJSDBO-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCO[C@@H](C)C3)C[C@@H]2C1 ZINC001168147040 963864377 /nfs/dbraw/zinc/86/43/77/963864377.db2.gz YSRBUTJJMJSDBO-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP c1cc(NC2CC2)nc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001158628301 963897696 /nfs/dbraw/zinc/89/76/96/963897696.db2.gz CKVFPJKSFJTNDV-SNVBAGLBSA-N 2 1 247.346 1.605 20 0 BDADMP C[C@@]1(C[NH3+])CCCN(c2ccc(N)c[nH+]2)C1 ZINC001158675543 963900316 /nfs/dbraw/zinc/90/03/16/963900316.db2.gz NYDVLOGGCODHHL-LBPRGKRZSA-N 2 1 220.320 1.229 20 0 BDADMP CC1(Nc2nc3[nH]ccc3c[nH+]2)CC[NH2+]CC1 ZINC001168183953 963938471 /nfs/dbraw/zinc/93/84/71/963938471.db2.gz PGDUKCYUXDVGFH-UHFFFAOYSA-N 2 1 231.303 1.464 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCOC1 ZINC000822123834 963939081 /nfs/dbraw/zinc/93/90/81/963939081.db2.gz GDCLUWSUZHSNNQ-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCC(C)CC1 ZINC001168201418 963967161 /nfs/dbraw/zinc/96/71/61/963967161.db2.gz UYRZPUYMCOPLPZ-HTAVTVPLSA-N 2 1 242.363 1.435 20 0 BDADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)C(C)C ZINC001482644719 964110144 /nfs/dbraw/zinc/11/01/44/964110144.db2.gz SXOARTXMXUZJNT-UHFFFAOYSA-N 2 1 243.395 1.127 20 0 BDADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)C(C)C ZINC001482644719 964110151 /nfs/dbraw/zinc/11/01/51/964110151.db2.gz SXOARTXMXUZJNT-UHFFFAOYSA-N 2 1 243.395 1.127 20 0 BDADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)C(C)C ZINC001482644719 964110135 /nfs/dbraw/zinc/11/01/35/964110135.db2.gz SXOARTXMXUZJNT-UHFFFAOYSA-N 2 1 243.395 1.127 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2C=C(N)C=CC2)CC1 ZINC001168305570 964400874 /nfs/dbraw/zinc/40/08/74/964400874.db2.gz NIOKRDFZFPRJSE-UHFFFAOYSA-N 2 1 221.348 1.531 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001168313369 964419787 /nfs/dbraw/zinc/41/97/87/964419787.db2.gz AMSJTKKOYTXNHR-TYUFSLCMSA-N 2 1 244.354 1.264 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])Nc1cccc(N)[nH+]1 ZINC001160912907 964440568 /nfs/dbraw/zinc/44/05/68/964440568.db2.gz XPRZKISKXOAWRN-QMMMGPOBSA-N 2 1 208.309 1.449 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCOCC2(C)C)CC1 ZINC001168324642 964447116 /nfs/dbraw/zinc/44/71/16/964447116.db2.gz SHPUFJZWYTXPTE-UHFFFAOYSA-N 2 1 240.391 1.970 20 0 BDADMP COC(C[N@@H+](C)C1CCC([NH+](C)C)CC1)OC ZINC001168327012 964455121 /nfs/dbraw/zinc/45/51/21/964455121.db2.gz INXHUOHVJCLIID-UHFFFAOYSA-N 2 1 244.379 1.410 20 0 BDADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(O)CC2)CC1 ZINC000200046145 964563661 /nfs/dbraw/zinc/56/36/61/964563661.db2.gz TTWMJZWPLQIETG-UHFFFAOYSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C)CCNc1cccn2c[nH+]cc12 ZINC001161672929 964676841 /nfs/dbraw/zinc/67/68/41/964676841.db2.gz OQUIQUCBMYVGST-UHFFFAOYSA-N 2 1 204.277 1.308 20 0 BDADMP Cc1cc2c(nc[nH+]c2N[C@H]2C[C@@](C)([NH3+])C2)[nH]1 ZINC001162328347 964930157 /nfs/dbraw/zinc/93/01/57/964930157.db2.gz OWKKBCUDJWWFAQ-LYWQIFSTSA-N 2 1 231.303 1.558 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]c2ccc3c(=O)[nH]cc-3[nH]2)C1 ZINC001162391467 964952563 /nfs/dbraw/zinc/95/25/63/964952563.db2.gz MQXMXHRPWJGADD-RKDXNWHRSA-N 2 1 246.314 1.007 20 0 BDADMP C[N@@H+]1CCO[C@H](CNc2cc[nH+]c(C3CC3)c2)C1 ZINC001162689432 965124488 /nfs/dbraw/zinc/12/44/88/965124488.db2.gz GGWCOJHSQDZRIV-CYBMUJFWSA-N 2 1 247.342 1.702 20 0 BDADMP C[N@H+]1CCO[C@H](CNc2cc[nH+]c(C3CC3)c2)C1 ZINC001162689432 965124499 /nfs/dbraw/zinc/12/44/99/965124499.db2.gz GGWCOJHSQDZRIV-CYBMUJFWSA-N 2 1 247.342 1.702 20 0 BDADMP CCc1ccc[nH+]c1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163152857 965270561 /nfs/dbraw/zinc/27/05/61/965270561.db2.gz IGWWYIOMDUBEEN-JSGCOSHPSA-N 2 1 247.342 1.292 20 0 BDADMP Nc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c[nH+]1 ZINC001163263009 965321669 /nfs/dbraw/zinc/32/16/69/965321669.db2.gz UREUFDSXOCDREM-MIMYLULJSA-N 2 1 218.304 1.074 20 0 BDADMP CN(CCC[NH+](C)C)c1ccc2c([nH+]1)CCC2 ZINC001163595272 965471017 /nfs/dbraw/zinc/47/10/17/965471017.db2.gz DIYMCRMWHCLZMY-UHFFFAOYSA-N 2 1 233.359 1.958 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+](C3CCOCC3)C[C@H]2C1 ZINC000715060646 965642266 /nfs/dbraw/zinc/64/22/66/965642266.db2.gz IZJUTUGXXGHLPH-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+](C3CCOCC3)C[C@H]2C1 ZINC000715060646 965642275 /nfs/dbraw/zinc/64/22/75/965642275.db2.gz IZJUTUGXXGHLPH-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@@H]([NH3+])CC1)C(F)(F)F ZINC001205094139 965722377 /nfs/dbraw/zinc/72/23/77/965722377.db2.gz IVSKNFCOHLFKOO-RKDXNWHRSA-N 2 1 224.270 1.998 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(O)cc2F)CC1 ZINC001205109548 965830833 /nfs/dbraw/zinc/83/08/33/965830833.db2.gz IGQICZMFGPSQAE-NSHDSACASA-N 2 1 238.306 1.845 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(O)cc2F)CC1 ZINC001205109548 965830846 /nfs/dbraw/zinc/83/08/46/965830846.db2.gz IGQICZMFGPSQAE-NSHDSACASA-N 2 1 238.306 1.845 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109748 965833531 /nfs/dbraw/zinc/83/35/31/965833531.db2.gz KZDVSFCKXUQIJP-ZDUSSCGKSA-N 2 1 219.332 1.703 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])CN1c1[nH+]cccc1N ZINC001164460921 965893435 /nfs/dbraw/zinc/89/34/35/965893435.db2.gz GKYDCUCPLVIDSG-VHSXEESVSA-N 2 1 220.320 1.227 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000699497616 965922789 /nfs/dbraw/zinc/92/27/89/965922789.db2.gz WQSFCZRYPLKNAX-YRGRVCCFSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000699534057 965946374 /nfs/dbraw/zinc/94/63/74/965946374.db2.gz QKHUOTRXLQXYNU-PWSUYJOCSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)c1 ZINC001165181814 965974681 /nfs/dbraw/zinc/97/46/81/965974681.db2.gz QHJSUXKCGKLEIO-JSGCOSHPSA-N 2 1 231.343 1.778 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC001165149283 965975608 /nfs/dbraw/zinc/97/56/08/965975608.db2.gz MIMXGWLFJWKAAO-STQMWFEESA-N 2 1 231.343 1.696 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC001205140892 966023265 /nfs/dbraw/zinc/02/32/65/966023265.db2.gz QLXAMIYHSDWJGB-CMPLNLGQSA-N 2 1 244.342 1.590 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703025827 966169350 /nfs/dbraw/zinc/16/93/50/966169350.db2.gz XPKTVTULRSFATP-IYXRBSQSSA-N 2 1 242.407 2.000 20 0 BDADMP COC1CCC(C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001236170270 966289199 /nfs/dbraw/zinc/28/91/99/966289199.db2.gz UMDHHUUSERZNQR-CXQJBGSLSA-N 2 1 212.337 1.225 20 0 BDADMP COC1CCC(C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001236170270 966289209 /nfs/dbraw/zinc/28/92/09/966289209.db2.gz UMDHHUUSERZNQR-CXQJBGSLSA-N 2 1 212.337 1.225 20 0 BDADMP Cn1ccc2c1cccc2C[NH+]1CC(C)(C[NH3+])C1 ZINC001206718654 966423066 /nfs/dbraw/zinc/42/30/66/966423066.db2.gz XSWFLGJEUTWZMV-UHFFFAOYSA-N 2 1 243.354 1.959 20 0 BDADMP CN(C[C@@H]1CC[NH2+]C1)c1nc(NC2CC2)cc[nH+]1 ZINC001166954591 966480417 /nfs/dbraw/zinc/48/04/17/966480417.db2.gz FCYJURNRYWGJNM-SNVBAGLBSA-N 2 1 247.346 1.097 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3CCCO3)C[C@H]2CC1 ZINC001276428853 966820658 /nfs/dbraw/zinc/82/06/58/966820658.db2.gz PSGRPTJHKRGIPZ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@H]2CC1 ZINC001276428853 966820665 /nfs/dbraw/zinc/82/06/65/966820665.db2.gz PSGRPTJHKRGIPZ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3CCCO3)C[C@H]2CC1 ZINC001276428853 966820668 /nfs/dbraw/zinc/82/06/68/966820668.db2.gz PSGRPTJHKRGIPZ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000084127163 966928123 /nfs/dbraw/zinc/92/81/23/966928123.db2.gz MSLBPHBVIHPQMT-FRRDWIJNSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001204763231 967152881 /nfs/dbraw/zinc/15/28/81/967152881.db2.gz IKCHKUQWEBHGJO-LOWDOPEQSA-N 2 1 206.333 1.622 20 0 BDADMP CC(C)OC(=O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715584139 967192169 /nfs/dbraw/zinc/19/21/69/967192169.db2.gz OHXLBWVQKZOLSC-UHFFFAOYSA-N 2 1 242.363 1.400 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2C[C@@H]3CCC[C@H]3C2)O1 ZINC001204847715 967194165 /nfs/dbraw/zinc/19/41/65/967194165.db2.gz FAELFHHATKINRC-SRVKXCTJSA-N 2 1 224.348 1.443 20 0 BDADMP C[C@@]1([NH3+])CCCN(CCCCCC[NH3+])C1 ZINC001204939451 967243059 /nfs/dbraw/zinc/24/30/59/967243059.db2.gz RLOUJVSYEUHVJU-GFCCVEGCSA-N 2 1 213.369 1.319 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CCCCCC[NH3+])C1 ZINC001204939451 967243046 /nfs/dbraw/zinc/24/30/46/967243046.db2.gz RLOUJVSYEUHVJU-GFCCVEGCSA-N 3 1 213.369 1.319 20 0 BDADMP C[N@H+](CC1=CCCOC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693560982 967264002 /nfs/dbraw/zinc/26/40/02/967264002.db2.gz BBXYDTAYKJFTLX-TXEJJXNPSA-N 2 1 210.321 1.002 20 0 BDADMP Cc1coc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC001205052728 967307385 /nfs/dbraw/zinc/30/73/85/967307385.db2.gz AUECXWVIUMCOPE-UHFFFAOYSA-N 2 1 209.293 1.154 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c2ncccc12 ZINC001205064856 967317854 /nfs/dbraw/zinc/31/78/54/967317854.db2.gz YAMMJEUOROUVBG-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c2ncccc12 ZINC001205064856 967317867 /nfs/dbraw/zinc/31/78/67/967317867.db2.gz YAMMJEUOROUVBG-JQWIXIFHSA-N 2 1 244.342 1.875 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1Cc1[nH+]cn2ccccc12 ZINC001205075445 967327183 /nfs/dbraw/zinc/32/71/83/967327183.db2.gz KKPXRUPRDLHCDF-RYUDHWBXSA-N 2 1 244.342 1.646 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CC2CCSCC2)CC1 ZINC001205094588 967336339 /nfs/dbraw/zinc/33/63/39/967336339.db2.gz NCJIICAORPZBRY-LBPRGKRZSA-N 2 1 228.405 1.943 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CC2CCSCC2)CC1 ZINC001205094587 967341075 /nfs/dbraw/zinc/34/10/75/967341075.db2.gz NCJIICAORPZBRY-GFCCVEGCSA-N 2 1 228.405 1.943 20 0 BDADMP COCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205109665 967355113 /nfs/dbraw/zinc/35/51/13/967355113.db2.gz IWWMDTSJZVLJRC-LLVKDONJSA-N 2 1 238.331 1.739 20 0 BDADMP COCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205109665 967355122 /nfs/dbraw/zinc/35/51/22/967355122.db2.gz IWWMDTSJZVLJRC-LLVKDONJSA-N 2 1 238.331 1.739 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(N)n1 ZINC001205110506 967356265 /nfs/dbraw/zinc/35/62/65/967356265.db2.gz UNUCJIZYMSDMIT-GFCCVEGCSA-N 2 1 234.347 1.285 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(N)n1 ZINC001205110506 967356270 /nfs/dbraw/zinc/35/62/70/967356270.db2.gz UNUCJIZYMSDMIT-GFCCVEGCSA-N 2 1 234.347 1.285 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(N)n1 ZINC001205110507 967359607 /nfs/dbraw/zinc/35/96/07/967359607.db2.gz UNUCJIZYMSDMIT-LBPRGKRZSA-N 2 1 234.347 1.285 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(N)n1 ZINC001205110507 967359619 /nfs/dbraw/zinc/35/96/19/967359619.db2.gz UNUCJIZYMSDMIT-LBPRGKRZSA-N 2 1 234.347 1.285 20 0 BDADMP Nc1c(F)cccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123974 967371315 /nfs/dbraw/zinc/37/13/15/967371315.db2.gz IAOQCRWGPBMEIS-NSHDSACASA-N 2 1 237.322 1.721 20 0 BDADMP Nc1c(F)cccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123974 967371328 /nfs/dbraw/zinc/37/13/28/967371328.db2.gz IAOQCRWGPBMEIS-NSHDSACASA-N 2 1 237.322 1.721 20 0 BDADMP Cc1cc(O)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205146139 967389718 /nfs/dbraw/zinc/38/97/18/967389718.db2.gz QLLSUIZAAQAYEX-WCQYABFASA-N 2 1 234.343 1.727 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1O ZINC001205146385 967390660 /nfs/dbraw/zinc/39/06/60/967390660.db2.gz TUJHSMRWNVKHTF-WCQYABFASA-N 2 1 234.343 1.727 20 0 BDADMP C[C@@H]1C[C@@H](CO)C[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000691359762 967400718 /nfs/dbraw/zinc/40/07/18/967400718.db2.gz NMPXFWMZAYUTAM-TZMCWYRMSA-N 2 1 240.391 1.279 20 0 BDADMP [NH3+]C[C@]1(O)CCC[N@@H+](CC2CCCCC2)CC1 ZINC001205212306 967428598 /nfs/dbraw/zinc/42/85/98/967428598.db2.gz YMGMUDYTGJHSHO-AWEZNQCLSA-N 2 1 240.391 1.742 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccn1 ZINC001205220619 967430924 /nfs/dbraw/zinc/43/09/24/967430924.db2.gz LSPGXGBNZZQVJJ-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP CCc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)on1 ZINC001205255836 967443264 /nfs/dbraw/zinc/44/32/64/967443264.db2.gz LQZOLNMWKBRMIS-ZDUSSCGKSA-N 2 1 237.347 1.940 20 0 BDADMP CCc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)on1 ZINC001205255836 967443271 /nfs/dbraw/zinc/44/32/71/967443271.db2.gz LQZOLNMWKBRMIS-ZDUSSCGKSA-N 2 1 237.347 1.940 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205256845 967444805 /nfs/dbraw/zinc/44/48/05/967444805.db2.gz QVBQSSINLCOESR-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205256845 967444818 /nfs/dbraw/zinc/44/48/18/967444818.db2.gz QVBQSSINLCOESR-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CCCCCO)CC1 ZINC001205255449 967445525 /nfs/dbraw/zinc/44/55/25/967445525.db2.gz IZCAYSSNKMQYKP-LBPRGKRZSA-N 2 1 214.353 1.352 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205255415 967445725 /nfs/dbraw/zinc/44/57/25/967445725.db2.gz IPZAHEUASFASTL-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205255415 967445733 /nfs/dbraw/zinc/44/57/33/967445733.db2.gz IPZAHEUASFASTL-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1nccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205266977 967454709 /nfs/dbraw/zinc/45/47/09/967454709.db2.gz ZDSBEKXLPASBEL-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205266977 967454715 /nfs/dbraw/zinc/45/47/15/967454715.db2.gz ZDSBEKXLPASBEL-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccns2)CC1 ZINC001205280606 967472799 /nfs/dbraw/zinc/47/27/99/967472799.db2.gz DEYRBUSGTJLTNL-NSHDSACASA-N 2 1 225.361 1.846 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccns2)CC1 ZINC001205280606 967472805 /nfs/dbraw/zinc/47/28/05/967472805.db2.gz DEYRBUSGTJLTNL-NSHDSACASA-N 2 1 225.361 1.846 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CC2CCC2)CC1 ZINC001205537120 967673760 /nfs/dbraw/zinc/67/37/60/967673760.db2.gz CWNLXNCJHHTWGG-GFCCVEGCSA-N 2 1 214.328 1.939 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC001205538819 967678887 /nfs/dbraw/zinc/67/88/87/967678887.db2.gz PTTXDKRDKDZWKD-OLZOCXBDSA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](CC2CC2)CC1 ZINC001205539401 967679775 /nfs/dbraw/zinc/67/97/75/967679775.db2.gz YOGGVMZWASFTIE-NSHDSACASA-N 2 1 200.301 1.549 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)[nH]1 ZINC001205579280 967705781 /nfs/dbraw/zinc/70/57/81/967705781.db2.gz LYUFEGFKNFVFTQ-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1nc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c[nH]1 ZINC001205579280 967705796 /nfs/dbraw/zinc/70/57/96/967705796.db2.gz LYUFEGFKNFVFTQ-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c[nH]1 ZINC001205579280 967705801 /nfs/dbraw/zinc/70/58/01/967705801.db2.gz LYUFEGFKNFVFTQ-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCO)CC[C@H]1C[NH3+] ZINC001205603530 967719169 /nfs/dbraw/zinc/71/91/69/967719169.db2.gz PWMOZICGUBMEPM-OLZOCXBDSA-N 2 1 228.380 1.456 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)nc1 ZINC001205654546 967745607 /nfs/dbraw/zinc/74/56/07/967745607.db2.gz XEDIUVCVCSHLFN-CHWSQXEVSA-N 2 1 248.374 1.592 20 0 BDADMP Cc1nonc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205655366 967747030 /nfs/dbraw/zinc/74/70/30/967747030.db2.gz ZPFVIUMSOBLGDT-GXSJLCMTSA-N 2 1 238.335 1.185 20 0 BDADMP Cc1coc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)n1 ZINC001205655202 967748161 /nfs/dbraw/zinc/74/81/61/967748161.db2.gz YZSHKVMIRKJLQL-PWSUYJOCSA-N 2 1 237.347 1.790 20 0 BDADMP CC(C)(C)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662456 967751846 /nfs/dbraw/zinc/75/18/46/967751846.db2.gz BBSGRQLEVWXYJC-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP Cc1ccncc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205681028 967771578 /nfs/dbraw/zinc/77/15/78/967771578.db2.gz DOTOAQUCZDQXPU-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP COC(=O)C1(C)CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001168751412 967774521 /nfs/dbraw/zinc/77/45/21/967774521.db2.gz WIXGSFQLCFADJT-UHFFFAOYSA-N 2 1 242.363 1.435 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](C)OC ZINC001205697037 967786159 /nfs/dbraw/zinc/78/61/59/967786159.db2.gz RTVQFBRNZPQXAH-LBPRGKRZSA-N 2 1 216.369 1.685 20 0 BDADMP CC(=O)Nc1c(C)cc[nH+]c1N[C@H]1C[C@@](C)([NH3+])C1 ZINC001162328508 967808234 /nfs/dbraw/zinc/80/82/34/967808234.db2.gz DQBGKVPKFZCMSD-GSJFWJNXSA-N 2 1 248.330 1.640 20 0 BDADMP [NH3+][C@H]1CCC[C@H](Nc2cc3c(c[nH+]2)CC(=O)N3)C1 ZINC001162396337 967827161 /nfs/dbraw/zinc/82/71/61/967827161.db2.gz YPPGWJSYZARCFS-UWVGGRQHSA-N 2 1 246.314 1.258 20 0 BDADMP CNc1cc[nH+]c(NC[C@H]2CCC[NH2+]C[C@@H]2C)n1 ZINC001162452538 967840206 /nfs/dbraw/zinc/84/02/06/967840206.db2.gz FZOVMJJONSLUKC-WDEREUQCSA-N 2 1 249.362 1.566 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001205981137 967922698 /nfs/dbraw/zinc/92/26/98/967922698.db2.gz BUYCPSSMAKVLLK-TZMCWYRMSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205992132 967942803 /nfs/dbraw/zinc/94/28/03/967942803.db2.gz DUXUDMGDFVJQJH-GHMZBOCLSA-N 2 1 222.336 1.217 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC001205996085 967945936 /nfs/dbraw/zinc/94/59/36/967945936.db2.gz UOEJNXXVKBXDRU-PWSUYJOCSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205993422 967946405 /nfs/dbraw/zinc/94/64/05/967946405.db2.gz HPSJVKNTHLUXTL-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncs2)CCC[C@@H]1C[NH3+] ZINC001205996767 967947439 /nfs/dbraw/zinc/94/74/39/967947439.db2.gz YGEZUZZGWPNEKO-GHMZBOCLSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncs2)CCC[C@H]1C[NH3+] ZINC001205996768 967953957 /nfs/dbraw/zinc/95/39/57/967953957.db2.gz YGEZUZZGWPNEKO-MNOVXSKESA-N 2 1 239.388 1.950 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003695 967956486 /nfs/dbraw/zinc/95/64/86/967956486.db2.gz LJITUMPZFVQSEM-DGCLKSJQSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncn2)CCC[C@@H]1C[NH3+] ZINC001206003901 967961837 /nfs/dbraw/zinc/96/18/37/967961837.db2.gz NKHFSXQWGAPMEU-VXGBXAGGSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2N)CCC[C@H]1C[NH3+] ZINC001206014768 967967934 /nfs/dbraw/zinc/96/79/34/967967934.db2.gz XZPRXOOLIOLXQM-NEPJUHHUSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)nc1 ZINC001206022748 967985742 /nfs/dbraw/zinc/98/57/42/967985742.db2.gz CQDDKIQJBIVOAW-CHWSQXEVSA-N 2 1 248.374 1.592 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](Nc2cc(N)[nH+]cn2)[C@@H](C)C1 ZINC001163364781 968026942 /nfs/dbraw/zinc/02/69/42/968026942.db2.gz FFMHZOZHAYBPRC-WDEREUQCSA-N 2 1 249.362 1.590 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](Nc2cc(N)[nH+]cn2)[C@@H](C)C1 ZINC001163364781 968026955 /nfs/dbraw/zinc/02/69/55/968026955.db2.gz FFMHZOZHAYBPRC-WDEREUQCSA-N 2 1 249.362 1.590 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699316111 968078963 /nfs/dbraw/zinc/07/89/63/968078963.db2.gz WTSNQIJWTDPTQI-PSEXLTFBSA-N 2 1 224.348 1.238 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206165351 968104526 /nfs/dbraw/zinc/10/45/26/968104526.db2.gz NLGHSJBLUUIHOT-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206165351 968104534 /nfs/dbraw/zinc/10/45/34/968104534.db2.gz NLGHSJBLUUIHOT-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)nc1 ZINC001206175232 968109563 /nfs/dbraw/zinc/10/95/63/968109563.db2.gz SUDHKECIAFMLDU-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)nc1 ZINC001206175232 968109569 /nfs/dbraw/zinc/10/95/69/968109569.db2.gz SUDHKECIAFMLDU-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cc(N2CC[C@@H]([NH3+])C2)c2[nH+]ccn2c1 ZINC001164282625 968208300 /nfs/dbraw/zinc/20/83/00/968208300.db2.gz ZUDMBHXHTTWTES-SNVBAGLBSA-N 2 1 216.288 1.180 20 0 BDADMP C[NH+](C)CCCO[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001206302164 968210930 /nfs/dbraw/zinc/21/09/30/968210930.db2.gz FDVXYXXLJZNEAV-WDNDVIMCSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cncnc2)CC1 ZINC001206304197 968211583 /nfs/dbraw/zinc/21/15/83/968211583.db2.gz HDVQRCFIRFMQCB-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnccc2N)CC1 ZINC001206305423 968215481 /nfs/dbraw/zinc/21/54/81/968215481.db2.gz ZAAIXCPPGQXSSD-AWEZNQCLSA-N 2 1 248.374 1.445 20 0 BDADMP NC[C@@]1(F)CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001206334926 968237622 /nfs/dbraw/zinc/23/76/22/968237622.db2.gz AVGSZKDGEJCKCB-ZDUSSCGKSA-N 2 1 245.386 1.658 20 0 BDADMP [NH3+]CCCCCCN1CCCC[C@](F)(C[NH3+])C1 ZINC001206334926 968237629 /nfs/dbraw/zinc/23/76/29/968237629.db2.gz AVGSZKDGEJCKCB-ZDUSSCGKSA-N 2 1 245.386 1.658 20 0 BDADMP NC[C@]1(F)CCCC[N@@H+](CCCCC[NH3+])C1 ZINC001206336133 968240953 /nfs/dbraw/zinc/24/09/53/968240953.db2.gz KBIFGALCYCIETP-GFCCVEGCSA-N 2 1 231.359 1.268 20 0 BDADMP [NH3+]CCCCCN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336133 968240964 /nfs/dbraw/zinc/24/09/64/968240964.db2.gz KBIFGALCYCIETP-GFCCVEGCSA-N 2 1 231.359 1.268 20 0 BDADMP Cc1cc(C)[nH+]c(N2CC(C)([NH+](C)C)C2)c1 ZINC001165116979 968258600 /nfs/dbraw/zinc/25/86/00/968258600.db2.gz NTWZUGQVQWQQES-UHFFFAOYSA-N 2 1 219.332 1.839 20 0 BDADMP CCc1cc(N2CC[C@H]3C[C@@]3([NH3+])C2)nc(C)[nH+]1 ZINC001165326224 968282273 /nfs/dbraw/zinc/28/22/73/968282273.db2.gz GTUFJIZBZWHWIS-GXFFZTMASA-N 2 1 232.331 1.275 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1O ZINC001206457524 968317644 /nfs/dbraw/zinc/31/76/44/968317644.db2.gz RJTJSTNAFBGXFA-QWHCGFSZSA-N 2 1 226.364 1.208 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1O ZINC001206469616 968326685 /nfs/dbraw/zinc/32/66/85/968326685.db2.gz SBANMRJYHDPYTP-WCQYABFASA-N 2 1 246.310 1.184 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1O ZINC001206469616 968326694 /nfs/dbraw/zinc/32/66/94/968326694.db2.gz SBANMRJYHDPYTP-WCQYABFASA-N 2 1 246.310 1.184 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3ccoc32)C[C@H]1O ZINC001206480979 968333732 /nfs/dbraw/zinc/33/37/32/968333732.db2.gz NQTSVRQTYGWTRU-QWHCGFSZSA-N 2 1 246.310 1.184 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001206507041 968343874 /nfs/dbraw/zinc/34/38/74/968343874.db2.gz YARGLMSLSAFFFW-QWRGUYRKSA-N 2 1 248.317 1.063 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)[nH]n1 ZINC001206542312 968365323 /nfs/dbraw/zinc/36/53/23/968365323.db2.gz XXFDJNIXJIEEJA-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)[nH]n1 ZINC001206542312 968365333 /nfs/dbraw/zinc/36/53/33/968365333.db2.gz XXFDJNIXJIEEJA-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206541993 968368339 /nfs/dbraw/zinc/36/83/39/968368339.db2.gz OQYQLAQQPIWFQR-AWEZNQCLSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@@]1(CN)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206541993 968368351 /nfs/dbraw/zinc/36/83/51/968368351.db2.gz OQYQLAQQPIWFQR-AWEZNQCLSA-N 2 1 239.407 1.437 20 0 BDADMP C[C@@]1(CN)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206541993 968368362 /nfs/dbraw/zinc/36/83/62/968368362.db2.gz OQYQLAQQPIWFQR-AWEZNQCLSA-N 2 1 239.407 1.437 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ncccc2N)C1 ZINC001206547172 968371988 /nfs/dbraw/zinc/37/19/88/968371988.db2.gz CKDQZZOFOGNVRP-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206548130 968373776 /nfs/dbraw/zinc/37/37/76/968373776.db2.gz HDQXFIUGFPXPFW-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206548130 968373783 /nfs/dbraw/zinc/37/37/83/968373783.db2.gz HDQXFIUGFPXPFW-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccncc2O)C1 ZINC001206555992 968379910 /nfs/dbraw/zinc/37/99/10/968379910.db2.gz LTOSLHZTBVGRRB-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccncc2O)C1 ZINC001206555992 968379916 /nfs/dbraw/zinc/37/99/16/968379916.db2.gz LTOSLHZTBVGRRB-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606043 968416835 /nfs/dbraw/zinc/41/68/35/968416835.db2.gz BJWJVDRGWRSRLC-GFCCVEGCSA-N 2 1 213.369 1.176 20 0 BDADMP O[C@@H](C[NH2+]CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001252002767 968431888 /nfs/dbraw/zinc/43/18/88/968431888.db2.gz FNJNPYCBGGYKSC-LBPRGKRZSA-N 2 1 231.299 1.275 20 0 BDADMP Cc1[nH+]cc(CN(C)C2CC[NH+](C)CC2)n1C ZINC001206789090 968474117 /nfs/dbraw/zinc/47/41/17/968474117.db2.gz BDULATYLCMPFNJ-UHFFFAOYSA-N 2 1 236.363 1.255 20 0 BDADMP CC[NH+]1C[C@@H]2CN(Cc3c[nH+]c(C)n3C)C[C@H]2C1 ZINC001206797393 968481311 /nfs/dbraw/zinc/48/13/11/968481311.db2.gz XPCSYWJMGKQLOQ-CHWSQXEVSA-N 2 1 248.374 1.112 20 0 BDADMP CC[NH+]1CCC([N@H+](C)Cc2ccc[nH]c2=O)CC1 ZINC001207005252 968537918 /nfs/dbraw/zinc/53/79/18/968537918.db2.gz GRLAEVQCAQUYKF-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc[nH]c2=O)CC1 ZINC001207005252 968537924 /nfs/dbraw/zinc/53/79/24/968537924.db2.gz GRLAEVQCAQUYKF-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP C[N@@H+](Cc1ncccn1)CC1CC[NH+](C)CC1 ZINC001207011617 968549964 /nfs/dbraw/zinc/54/99/64/968549964.db2.gz FAACRQRWOBEFCV-UHFFFAOYSA-N 2 1 234.347 1.250 20 0 BDADMP C[N@H+](Cc1ncccn1)CC1CC[NH+](C)CC1 ZINC001207011617 968549970 /nfs/dbraw/zinc/54/99/70/968549970.db2.gz FAACRQRWOBEFCV-UHFFFAOYSA-N 2 1 234.347 1.250 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH+]1CC2(C1)CCOC2 ZINC001207276561 968713142 /nfs/dbraw/zinc/71/31/42/968713142.db2.gz ZXBNHWAWUZIMBJ-UHFFFAOYSA-N 2 1 226.364 1.297 20 0 BDADMP CN1CC2(C1)CC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207288593 968719166 /nfs/dbraw/zinc/71/91/66/968719166.db2.gz SXWWCMXWPACQCD-UHFFFAOYSA-N 2 1 239.407 1.212 20 0 BDADMP CN1CC2(C1)CC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207288593 968719171 /nfs/dbraw/zinc/71/91/71/968719171.db2.gz SXWWCMXWPACQCD-UHFFFAOYSA-N 2 1 239.407 1.212 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC1(C)COC1 ZINC001207285917 968719694 /nfs/dbraw/zinc/71/96/94/968719694.db2.gz QJGNVORDKIAVJX-UHFFFAOYSA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001207394771 968749669 /nfs/dbraw/zinc/74/96/69/968749669.db2.gz LZKDUPDOXLSKKM-CYBMUJFWSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001207394744 968749822 /nfs/dbraw/zinc/74/98/22/968749822.db2.gz LOYNHEUAFFXCLD-CHWSQXEVSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC3(CC3)C2)CC1 ZINC001207395781 968749913 /nfs/dbraw/zinc/74/99/13/968749913.db2.gz XKABTRHPWNXDOB-UHFFFAOYSA-N 2 1 208.349 1.814 20 0 BDADMP CCN1C[C@@H]2C[C@H]1C[N@H+]2CC1CC[NH+](C)CC1 ZINC001207402846 968757223 /nfs/dbraw/zinc/75/72/23/968757223.db2.gz OQHUXHFLZBTMRJ-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[C@H]1CN2CC1CC[NH+](C)CC1 ZINC001207402846 968757233 /nfs/dbraw/zinc/75/72/33/968757233.db2.gz OQHUXHFLZBTMRJ-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2CC1CC[NH+](C)CC1 ZINC001207402846 968757239 /nfs/dbraw/zinc/75/72/39/968757239.db2.gz OQHUXHFLZBTMRJ-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@]1(C)O ZINC001207436329 968768733 /nfs/dbraw/zinc/76/87/33/968768733.db2.gz FEVYGLMRNWHRMM-JSGCOSHPSA-N 2 1 240.391 1.469 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001207436255 968770811 /nfs/dbraw/zinc/77/08/11/968770811.db2.gz YVQNDGNPYYFQPB-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP FC[C@@H]1C[C@H](F)C[N@H+]1CC1CC[NH2+]CC1 ZINC001207436491 968771284 /nfs/dbraw/zinc/77/12/84/968771284.db2.gz KHQQUZHPGFPHDO-QWRGUYRKSA-N 2 1 218.291 1.368 20 0 BDADMP C[NH+]1CCC(CC[N@@H+](C2CC2)C2COC2)CC1 ZINC001207486600 968786601 /nfs/dbraw/zinc/78/66/01/968786601.db2.gz LGZAKPPHNDDZGS-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(F)cc3)C[C@@H]2C1 ZINC001207515463 968809410 /nfs/dbraw/zinc/80/94/10/968809410.db2.gz RMGVTKPQJGXILA-OKILXGFUSA-N 2 1 248.345 1.862 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(F)cc3)C[C@@H]2C1 ZINC001207515463 968809415 /nfs/dbraw/zinc/80/94/15/968809415.db2.gz RMGVTKPQJGXILA-OKILXGFUSA-N 2 1 248.345 1.862 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccc(F)cc3)C[C@@H]2C1 ZINC001207515463 968809422 /nfs/dbraw/zinc/80/94/22/968809422.db2.gz RMGVTKPQJGXILA-OKILXGFUSA-N 2 1 248.345 1.862 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCn3cccn3)C2)C1 ZINC001208077528 968979228 /nfs/dbraw/zinc/97/92/28/968979228.db2.gz HEGJFGVZODXAAL-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCn3cccn3)C2)C1 ZINC001208077528 968979233 /nfs/dbraw/zinc/97/92/33/968979233.db2.gz HEGJFGVZODXAAL-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCn3cccn3)C2)C1 ZINC001208077528 968979244 /nfs/dbraw/zinc/97/92/44/968979244.db2.gz HEGJFGVZODXAAL-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208105581 969001756 /nfs/dbraw/zinc/00/17/56/969001756.db2.gz YJQJPHIMYJCUQS-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001208106959 969003150 /nfs/dbraw/zinc/00/31/50/969003150.db2.gz HXFFWFCXMJPKLY-VXGBXAGGSA-N 2 1 244.354 1.123 20 0 BDADMP C[N@@H+](Cc1cncnc1)CC1(C)CC[NH+](C)CC1 ZINC001208115761 969010240 /nfs/dbraw/zinc/01/02/40/969010240.db2.gz MWXSPQGBRULIMS-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP C[N@H+]1CCC=C(c2ccccc2C[NH3+])C1 ZINC001241571126 969068005 /nfs/dbraw/zinc/06/80/05/969068005.db2.gz TYKXZFKKTSHDBY-UHFFFAOYSA-N 2 1 202.301 1.864 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253185360 969103343 /nfs/dbraw/zinc/10/33/43/969103343.db2.gz FXAADIBSANZMMY-ZDEQEGDKSA-N 2 1 244.354 1.121 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253185360 969103349 /nfs/dbraw/zinc/10/33/49/969103349.db2.gz FXAADIBSANZMMY-ZDEQEGDKSA-N 2 1 244.354 1.121 20 0 BDADMP CC(C)(C)[NH+]1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749240 969142711 /nfs/dbraw/zinc/14/27/11/969142711.db2.gz PKTFIDYZCYUTJV-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC001208593681 969148174 /nfs/dbraw/zinc/14/81/74/969148174.db2.gz ZIPTVDRXYGJXTG-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCOC2)CC1 ZINC001208597405 969152476 /nfs/dbraw/zinc/15/24/76/969152476.db2.gz HDKSETKGNRCLHK-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@H]2CCCOC2)CC1 ZINC001208605082 969158657 /nfs/dbraw/zinc/15/86/57/969158657.db2.gz YJFUMCGNRWPQLC-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H](O)C2)C1 ZINC001208607656 969165144 /nfs/dbraw/zinc/16/51/44/969165144.db2.gz MLWXGMJSNYTBFU-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H](O)C2)C1 ZINC001208607656 969165147 /nfs/dbraw/zinc/16/51/47/969165147.db2.gz MLWXGMJSNYTBFU-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H](O)C2)C1 ZINC001208607656 969165162 /nfs/dbraw/zinc/16/51/62/969165162.db2.gz MLWXGMJSNYTBFU-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@]23CCOC3)C1 ZINC001208613885 969172928 /nfs/dbraw/zinc/17/29/28/969172928.db2.gz ASXIBBCXNAROPT-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@]23CCOC3)C1 ZINC001208613885 969172930 /nfs/dbraw/zinc/17/29/30/969172930.db2.gz ASXIBBCXNAROPT-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@]23CCOC3)C1 ZINC001208613885 969172935 /nfs/dbraw/zinc/17/29/35/969172935.db2.gz ASXIBBCXNAROPT-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@]23CCOC3)C1 ZINC001208613885 969172942 /nfs/dbraw/zinc/17/29/42/969172942.db2.gz ASXIBBCXNAROPT-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]3C[C@@H]32)C1 ZINC001208617059 969176332 /nfs/dbraw/zinc/17/63/32/969176332.db2.gz LYSOTOMGYPSMJR-XQQFMLRXSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]3C[C@@H]32)C1 ZINC001208617059 969176337 /nfs/dbraw/zinc/17/63/37/969176337.db2.gz LYSOTOMGYPSMJR-XQQFMLRXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]3C[C@@H]32)C1 ZINC001208617059 969176340 /nfs/dbraw/zinc/17/63/40/969176340.db2.gz LYSOTOMGYPSMJR-XQQFMLRXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]3C[C@@H]32)C1 ZINC001208617059 969176344 /nfs/dbraw/zinc/17/63/44/969176344.db2.gz LYSOTOMGYPSMJR-XQQFMLRXSA-N 2 1 208.349 1.813 20 0 BDADMP Cc1cc2c(nc[nH+]c2N(C)C2CC[NH2+]CC2)[nH]1 ZINC001156171977 969207801 /nfs/dbraw/zinc/20/78/01/969207801.db2.gz JQDBPQFOAFIHBN-UHFFFAOYSA-N 2 1 245.330 1.455 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001205996050 969324729 /nfs/dbraw/zinc/32/47/29/969324729.db2.gz UFPDFOBMSQATQY-YPMHNXCESA-N 2 1 248.374 1.592 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@H]1CCC[N@@H+]1C)C2 ZINC001169094063 969383151 /nfs/dbraw/zinc/38/31/51/969383151.db2.gz KPVJYQLYUFYEDH-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169094063 969383158 /nfs/dbraw/zinc/38/31/58/969383158.db2.gz KPVJYQLYUFYEDH-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169094063 969383167 /nfs/dbraw/zinc/38/31/67/969383167.db2.gz KPVJYQLYUFYEDH-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169094063 969383179 /nfs/dbraw/zinc/38/31/79/969383179.db2.gz KPVJYQLYUFYEDH-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169094063 969383185 /nfs/dbraw/zinc/38/31/85/969383185.db2.gz KPVJYQLYUFYEDH-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCOC1)C2 ZINC001169094547 969383560 /nfs/dbraw/zinc/38/35/60/969383560.db2.gz MKJBPCYVSRPMMB-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP CN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095724 969385336 /nfs/dbraw/zinc/38/53/36/969385336.db2.gz SBEMULHCOIGAJT-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCC[NH+](C)C1)C2 ZINC001169095724 969385350 /nfs/dbraw/zinc/38/53/50/969385350.db2.gz SBEMULHCOIGAJT-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCC[N@H+](C)C1)C2 ZINC001169095724 969385359 /nfs/dbraw/zinc/38/53/59/969385359.db2.gz SBEMULHCOIGAJT-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001169095724 969385371 /nfs/dbraw/zinc/38/53/71/969385371.db2.gz SBEMULHCOIGAJT-YIYPIFLZSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C13CC(C1)C3)C2 ZINC001169093186 969387846 /nfs/dbraw/zinc/38/78/46/969387846.db2.gz FYKPUEZDJDYKEF-GBRWGWLFSA-N 2 1 206.333 1.754 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(=O)CC1)C2 ZINC001169098906 969391198 /nfs/dbraw/zinc/39/11/98/969391198.db2.gz MGUFLCNRFNZTGF-XYYAHUGASA-N 2 1 236.359 1.713 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(=O)CC1)C2 ZINC001169098906 969391208 /nfs/dbraw/zinc/39/12/08/969391208.db2.gz MGUFLCNRFNZTGF-XYYAHUGASA-N 2 1 236.359 1.713 20 0 BDADMP CCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)COC1 ZINC001169099468 969393240 /nfs/dbraw/zinc/39/32/40/969393240.db2.gz SPPZDVCQEQPRLV-CLLJXQQHSA-N 2 1 238.375 1.628 20 0 BDADMP COCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001209209634 969396181 /nfs/dbraw/zinc/39/61/81/969396181.db2.gz HYLJREBUBPGVNL-UHFFFAOYSA-N 2 1 249.358 1.575 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078754 969397141 /nfs/dbraw/zinc/39/71/41/969397141.db2.gz FYQIRSCWRDWBLW-UJPOAAIJSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C)c1 ZINC001169102166 969397690 /nfs/dbraw/zinc/39/76/90/969397690.db2.gz XVCQUAMHFIVXPF-DEQVHRJGSA-N 2 1 248.374 1.696 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC001169102166 969397693 /nfs/dbraw/zinc/39/76/93/969397693.db2.gz XVCQUAMHFIVXPF-DEQVHRJGSA-N 2 1 248.374 1.696 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOC[C@@H]1F)C2 ZINC001169101508 969399267 /nfs/dbraw/zinc/39/92/67/969399267.db2.gz SYWYNAHVZIPPQV-PPCPHDFISA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOC[C@@H]1F)C2 ZINC001169101508 969399273 /nfs/dbraw/zinc/39/92/73/969399273.db2.gz SYWYNAHVZIPPQV-PPCPHDFISA-N 2 1 242.338 1.328 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169089256 969406918 /nfs/dbraw/zinc/40/69/18/969406918.db2.gz AEEGAFNLTIOGIR-BTTYYORXSA-N 2 1 248.374 1.443 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169089256 969406925 /nfs/dbraw/zinc/40/69/25/969406925.db2.gz AEEGAFNLTIOGIR-BTTYYORXSA-N 2 1 248.374 1.443 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCCO1)C2 ZINC001169091470 969407281 /nfs/dbraw/zinc/40/72/81/969407281.db2.gz RWSTUJCCYRSBHP-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(C)(C)O)C2 ZINC001169092124 969407474 /nfs/dbraw/zinc/40/74/74/969407474.db2.gz YAQBMSGADBIADL-CNDDSTCGSA-N 2 1 226.364 1.362 20 0 BDADMP CCCC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091859 969407741 /nfs/dbraw/zinc/40/77/41/969407741.db2.gz WISAZADYZWVBHD-YIYPIFLZSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC001169124338 969417658 /nfs/dbraw/zinc/41/76/58/969417658.db2.gz PPXQENUNSYJKMO-FPYNETTCSA-N 2 1 223.364 1.081 20 0 BDADMP C[N@@H+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125888 969424515 /nfs/dbraw/zinc/42/45/15/969424515.db2.gz NDPLQYHRSWMZNX-WDNDVIMCSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125888 969424521 /nfs/dbraw/zinc/42/45/21/969424521.db2.gz NDPLQYHRSWMZNX-WDNDVIMCSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125888 969424523 /nfs/dbraw/zinc/42/45/23/969424523.db2.gz NDPLQYHRSWMZNX-WDNDVIMCSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125823 969424808 /nfs/dbraw/zinc/42/48/08/969424808.db2.gz MDHQQFFKWLDFKV-HPCHECBXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125823 969424813 /nfs/dbraw/zinc/42/48/13/969424813.db2.gz MDHQQFFKWLDFKV-HPCHECBXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125823 969424818 /nfs/dbraw/zinc/42/48/18/969424818.db2.gz MDHQQFFKWLDFKV-HPCHECBXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125823 969424821 /nfs/dbraw/zinc/42/48/21/969424821.db2.gz MDHQQFFKWLDFKV-HPCHECBXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124848 969426534 /nfs/dbraw/zinc/42/65/34/969426534.db2.gz FLQPZOHCYNRWTD-PDWCTOEPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124848 969426536 /nfs/dbraw/zinc/42/65/36/969426536.db2.gz FLQPZOHCYNRWTD-PDWCTOEPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124848 969426539 /nfs/dbraw/zinc/42/65/39/969426539.db2.gz FLQPZOHCYNRWTD-PDWCTOEPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124848 969426541 /nfs/dbraw/zinc/42/65/41/969426541.db2.gz FLQPZOHCYNRWTD-PDWCTOEPSA-N 2 1 238.375 1.457 20 0 BDADMP COC[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124926 969426920 /nfs/dbraw/zinc/42/69/20/969426920.db2.gz HDVTWVTYNWWWPY-YIYPIFLZSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124926 969426925 /nfs/dbraw/zinc/42/69/25/969426925.db2.gz HDVTWVTYNWWWPY-YIYPIFLZSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124926 969426931 /nfs/dbraw/zinc/42/69/31/969426931.db2.gz HDVTWVTYNWWWPY-YIYPIFLZSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](F)[C@@H](O)C1)C2 ZINC001169126832 969429867 /nfs/dbraw/zinc/42/98/67/969429867.db2.gz XXWBAOSZXDVMSB-QWQWKMKNSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](F)[C@@H](O)C1)C2 ZINC001169126832 969429875 /nfs/dbraw/zinc/42/98/75/969429875.db2.gz XXWBAOSZXDVMSB-QWQWKMKNSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](F)[C@@H](O)C1)C2 ZINC001169126832 969429882 /nfs/dbraw/zinc/42/98/82/969429882.db2.gz XXWBAOSZXDVMSB-QWQWKMKNSA-N 2 1 242.338 1.016 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@](C)(O)C1)C2 ZINC001169127139 969434802 /nfs/dbraw/zinc/43/48/02/969434802.db2.gz ZYTKEHUATOLYML-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3OCC[C@H]31)C2 ZINC001169129223 969435807 /nfs/dbraw/zinc/43/58/07/969435807.db2.gz IOSOBCMVDFKETL-XVIXHAIJSA-N 2 1 236.359 1.475 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001169129223 969435818 /nfs/dbraw/zinc/43/58/18/969435818.db2.gz IOSOBCMVDFKETL-XVIXHAIJSA-N 2 1 236.359 1.475 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001169129223 969435835 /nfs/dbraw/zinc/43/58/35/969435835.db2.gz IOSOBCMVDFKETL-XVIXHAIJSA-N 2 1 236.359 1.475 20 0 BDADMP C[C@@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110521 969449800 /nfs/dbraw/zinc/44/98/00/969449800.db2.gz MANUGRIDDQCYCI-RVMXOQNASA-N 2 1 225.380 1.138 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)nc1)C2 ZINC001169112702 969457282 /nfs/dbraw/zinc/45/72/82/969457282.db2.gz RVEPCOPZYSWLDM-CLLJXQQHSA-N 2 1 249.333 1.936 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)nc1)C2 ZINC001169112702 969457286 /nfs/dbraw/zinc/45/72/86/969457286.db2.gz RVEPCOPZYSWLDM-CLLJXQQHSA-N 2 1 249.333 1.936 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](F)C2)CC1 ZINC001169230399 969504236 /nfs/dbraw/zinc/50/42/36/969504236.db2.gz AVDKSUOXABZHHH-JGZJWPJOSA-N 2 1 200.301 1.561 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCCOC2)CC1 ZINC001169265568 969523505 /nfs/dbraw/zinc/52/35/05/969523505.db2.gz YCJAHSVJNPDJAV-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCCOC2)CC1 ZINC001169265568 969523512 /nfs/dbraw/zinc/52/35/12/969523512.db2.gz YCJAHSVJNPDJAV-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](O)[C@@H](C)C2)CC1 ZINC001169245405 969529004 /nfs/dbraw/zinc/52/90/04/969529004.db2.gz CTVPPEVDJHRNCE-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](O)[C@@H](C)C2)CC1 ZINC001169245405 969529009 /nfs/dbraw/zinc/52/90/09/969529009.db2.gz CTVPPEVDJHRNCE-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001169245499 969530508 /nfs/dbraw/zinc/53/05/08/969530508.db2.gz FZCHGWINQJIBNP-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001169245499 969530517 /nfs/dbraw/zinc/53/05/17/969530517.db2.gz FZCHGWINQJIBNP-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC001254183713 969537130 /nfs/dbraw/zinc/53/71/30/969537130.db2.gz DMAREIZCVVDYHT-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCN1CCC([N@@H+]2CC[C@@H](O)[C@@H](C)CC2)CC1 ZINC001169246062 969537661 /nfs/dbraw/zinc/53/76/61/969537661.db2.gz NVYRVCUPNMOHCE-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@@H](C)CC2)CC1 ZINC001169246062 969537667 /nfs/dbraw/zinc/53/76/67/969537667.db2.gz NVYRVCUPNMOHCE-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@@H](C)CC2)CC1 ZINC001169246062 969537671 /nfs/dbraw/zinc/53/76/71/969537671.db2.gz NVYRVCUPNMOHCE-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N)nc1 ZINC001276654100 969563201 /nfs/dbraw/zinc/56/32/01/969563201.db2.gz FOKKZEQKSFEYGR-YHWZYXNKSA-N 2 1 246.358 1.379 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N)nc1 ZINC001276654100 969563209 /nfs/dbraw/zinc/56/32/09/969563209.db2.gz FOKKZEQKSFEYGR-YHWZYXNKSA-N 2 1 246.358 1.379 20 0 BDADMP CC1(C)C[N@H+](Cc2c[nH+]ccc2N)CCCO1 ZINC001209730654 969587008 /nfs/dbraw/zinc/58/70/08/969587008.db2.gz HWNZPYXJAOSWBU-UHFFFAOYSA-N 2 1 235.331 1.495 20 0 BDADMP CC1(C)C[N@@H+](Cc2c[nH+]ccc2N)CCCO1 ZINC001209730654 969587013 /nfs/dbraw/zinc/58/70/13/969587013.db2.gz HWNZPYXJAOSWBU-UHFFFAOYSA-N 2 1 235.331 1.495 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1CCC(CF)CC1 ZINC001209730920 969596257 /nfs/dbraw/zinc/59/62/57/969596257.db2.gz LYOBPVOENPYTCK-UHFFFAOYSA-N 2 1 223.295 1.676 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001209737366 969598496 /nfs/dbraw/zinc/59/84/96/969598496.db2.gz LFWBUCKOVUCUQB-AWEZNQCLSA-N 2 1 247.342 1.497 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001209737366 969598501 /nfs/dbraw/zinc/59/85/01/969598501.db2.gz LFWBUCKOVUCUQB-AWEZNQCLSA-N 2 1 247.342 1.497 20 0 BDADMP COC(CCC[NH2+][C@H]1CCC[N@@H+](C)CC1)OC ZINC001254507355 969647178 /nfs/dbraw/zinc/64/71/78/969647178.db2.gz ARZLOEWAWUHISX-LBPRGKRZSA-N 2 1 244.379 1.459 20 0 BDADMP CCOC(=O)[C@@]1(C)CCCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC001209846876 969659266 /nfs/dbraw/zinc/65/92/66/969659266.db2.gz WQZGBXFBVJHSKJ-YPMHNXCESA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC001209846876 969659268 /nfs/dbraw/zinc/65/92/68/969659268.db2.gz WQZGBXFBVJHSKJ-YPMHNXCESA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(=O)C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254499808 969662339 /nfs/dbraw/zinc/66/23/39/969662339.db2.gz AXHIQCHAJBZYFB-VXGBXAGGSA-N 2 1 242.363 1.402 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC001254506245 969675987 /nfs/dbraw/zinc/67/59/87/969675987.db2.gz QAFFWPJFXMPVKV-JSGCOSHPSA-N 2 1 249.358 1.189 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254504598 969676142 /nfs/dbraw/zinc/67/61/42/969676142.db2.gz VMRHBLYMRBPTJL-OLZOCXBDSA-N 2 1 248.374 1.482 20 0 BDADMP CCOC(=O)[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254507484 969679494 /nfs/dbraw/zinc/67/94/94/969679494.db2.gz BZYUPYXCRIVGBS-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP C[N@H+]1CCC[C@@H](NC(C)(C)C(C)(C)[NH3+])CC1 ZINC001254508126 969681127 /nfs/dbraw/zinc/68/11/27/969681127.db2.gz GXBPZBPAYOJBOF-LLVKDONJSA-N 2 1 227.396 1.576 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccnc2CCC[NH3+])CC1 ZINC001254514045 969682831 /nfs/dbraw/zinc/68/28/31/969682831.db2.gz IQPZVMUDXQEOTI-LBPRGKRZSA-N 2 1 236.363 1.431 20 0 BDADMP CC(C)N([C@H]1CCC[N@@H+](C)CC1)C(C)(C)C[NH3+] ZINC001254514388 969688915 /nfs/dbraw/zinc/68/89/15/969688915.db2.gz KXMGDEKIZRDLSA-ZDUSSCGKSA-N 2 1 241.423 1.918 20 0 BDADMP CC[N@@H+](CCOC)[C@@H]1CCC[NH+](C)CC1 ZINC001254515842 969690240 /nfs/dbraw/zinc/69/02/40/969690240.db2.gz DXIQTRGXFAMRIB-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CCOC)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515842 969690243 /nfs/dbraw/zinc/69/02/43/969690243.db2.gz DXIQTRGXFAMRIB-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CCOC)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515842 969690248 /nfs/dbraw/zinc/69/02/48/969690248.db2.gz DXIQTRGXFAMRIB-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP Cn1cc(C[N@H+](C)[C@H]2CCC[NH+](C)CC2)cn1 ZINC001254516003 969690480 /nfs/dbraw/zinc/69/04/80/969690480.db2.gz IMACBMORABFCPY-ZDUSSCGKSA-N 2 1 236.363 1.336 20 0 BDADMP Cn1cc(C[N@@H+](C)[C@H]2CCC[NH+](C)CC2)cn1 ZINC001254516003 969690489 /nfs/dbraw/zinc/69/04/89/969690489.db2.gz IMACBMORABFCPY-ZDUSSCGKSA-N 2 1 236.363 1.336 20 0 BDADMP Cn1cc(C[NH+](C)[C@H]2CCC[N@H+](C)CC2)cn1 ZINC001254516003 969690499 /nfs/dbraw/zinc/69/04/99/969690499.db2.gz IMACBMORABFCPY-ZDUSSCGKSA-N 2 1 236.363 1.336 20 0 BDADMP Cn1cc(C[NH+](C)[C@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254516003 969690503 /nfs/dbraw/zinc/69/05/03/969690503.db2.gz IMACBMORABFCPY-ZDUSSCGKSA-N 2 1 236.363 1.336 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC3(C2)CCOC3)CC1 ZINC001254516393 969690589 /nfs/dbraw/zinc/69/05/89/969690589.db2.gz MHHUORGSYAWGDF-LBPRGKRZSA-N 2 1 224.348 1.193 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCC[C@@H]1O ZINC001254517655 969703190 /nfs/dbraw/zinc/70/31/90/969703190.db2.gz XPYVHZUVQIRDGM-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CCCO[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254524698 969720700 /nfs/dbraw/zinc/72/07/00/969720700.db2.gz YTCPVYPCMFJMPB-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254524698 969720709 /nfs/dbraw/zinc/72/07/09/969720709.db2.gz YTCPVYPCMFJMPB-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524698 969720714 /nfs/dbraw/zinc/72/07/14/969720714.db2.gz YTCPVYPCMFJMPB-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@]23CCOC3)CC1 ZINC001254529166 969722412 /nfs/dbraw/zinc/72/24/12/969722412.db2.gz KMVFXQGSWIUJQM-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@]23CCOC3)CC1 ZINC001254529166 969722420 /nfs/dbraw/zinc/72/24/20/969722420.db2.gz KMVFXQGSWIUJQM-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@]23CCOC3)CC1 ZINC001254529166 969722425 /nfs/dbraw/zinc/72/24/25/969722425.db2.gz KMVFXQGSWIUJQM-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001254529295 969726692 /nfs/dbraw/zinc/72/66/92/969726692.db2.gz LQOOGCWIFUJGDG-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001254529295 969726703 /nfs/dbraw/zinc/72/67/03/969726703.db2.gz LQOOGCWIFUJGDG-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001254529295 969726715 /nfs/dbraw/zinc/72/67/15/969726715.db2.gz LQOOGCWIFUJGDG-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001254529295 969726726 /nfs/dbraw/zinc/72/67/26/969726726.db2.gz LQOOGCWIFUJGDG-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H](C)CO1 ZINC001254529483 969729010 /nfs/dbraw/zinc/72/90/10/969729010.db2.gz GKMDUCQIYIZRRB-YNEHKIRRSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H](C)CO1 ZINC001254529483 969729017 /nfs/dbraw/zinc/72/90/17/969729017.db2.gz GKMDUCQIYIZRRB-YNEHKIRRSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)[C@@H](C)CO1 ZINC001254529483 969729025 /nfs/dbraw/zinc/72/90/25/969729025.db2.gz GKMDUCQIYIZRRB-YNEHKIRRSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)[C@@H](C)CO1 ZINC001254529483 969729037 /nfs/dbraw/zinc/72/90/37/969729037.db2.gz GKMDUCQIYIZRRB-YNEHKIRRSA-N 2 1 226.364 1.580 20 0 BDADMP COC[C@H]1CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254534238 969729326 /nfs/dbraw/zinc/72/93/26/969729326.db2.gz UWVQFITZLMXOCY-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP COC[C@H]1CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254534238 969729333 /nfs/dbraw/zinc/72/93/33/969729333.db2.gz UWVQFITZLMXOCY-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP COC[C@H]1CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254534238 969729336 /nfs/dbraw/zinc/72/93/36/969729336.db2.gz UWVQFITZLMXOCY-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@@H+]1CCOC[C@H]1CNc1ccc2c(c1)C[NH2+]C2 ZINC001169652662 969800416 /nfs/dbraw/zinc/80/04/16/969800416.db2.gz ADNBBIMPSPPLOE-CQSZACIVSA-N 2 1 247.342 1.032 20 0 BDADMP C[N@H+]1CCOC[C@H]1CNc1ccc2c(c1)C[NH2+]C2 ZINC001169652662 969800419 /nfs/dbraw/zinc/80/04/19/969800419.db2.gz ADNBBIMPSPPLOE-CQSZACIVSA-N 2 1 247.342 1.032 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)N2[C@H]1CC2CC[NH+](CC2)C1 ZINC001254860799 969810059 /nfs/dbraw/zinc/81/00/59/969810059.db2.gz NPBKUOYFRPREHX-ZNMIVQPWSA-N 2 1 249.402 1.249 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2[C@H]1CC2CC[NH+](CC2)C1 ZINC001254860799 969810062 /nfs/dbraw/zinc/81/00/62/969810062.db2.gz NPBKUOYFRPREHX-ZNMIVQPWSA-N 2 1 249.402 1.249 20 0 BDADMP [NH3+]CCCC[N@H+]1CCN[C@@H](Cc2ccccc2)C1 ZINC001210311410 969861721 /nfs/dbraw/zinc/86/17/21/969861721.db2.gz JNIAJWROWRDEFX-HNNXBMFYSA-N 2 1 247.386 1.242 20 0 BDADMP [NH3+]CCCCN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210311410 969861724 /nfs/dbraw/zinc/86/17/24/969861724.db2.gz JNIAJWROWRDEFX-HNNXBMFYSA-N 2 1 247.386 1.242 20 0 BDADMP CN1CCC[C@H]2C[N@H+](C3CCSCC3)C[C@H]21 ZINC001255094768 969930166 /nfs/dbraw/zinc/93/01/66/969930166.db2.gz KHHZPYNSOPVNQW-WCQYABFASA-N 2 1 240.416 1.908 20 0 BDADMP CN(OCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255103229 969938850 /nfs/dbraw/zinc/93/88/50/969938850.db2.gz VATMSUULABDQHC-AWEZNQCLSA-N 2 1 249.358 1.083 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1N(C)C(C)(C)C[NH3+] ZINC001170058942 970108029 /nfs/dbraw/zinc/10/80/29/970108029.db2.gz JITGXRFBVURBTQ-UHFFFAOYSA-N 2 1 236.363 1.630 20 0 BDADMP C[C@H]([NH3+])c1nc2ccccc2n1[C@H]1CC[N@@H+](C)C1 ZINC001255412207 970130268 /nfs/dbraw/zinc/13/02/68/970130268.db2.gz MEYLTPKPWSCUSD-QWRGUYRKSA-N 2 1 244.342 1.933 20 0 BDADMP C[N@H+]1CC[C@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001255415270 970134779 /nfs/dbraw/zinc/13/47/79/970134779.db2.gz GRGUUBALCUYFOT-NSHDSACASA-N 2 1 236.294 1.230 20 0 BDADMP C[N@H+]1CC[C@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255415268 970137033 /nfs/dbraw/zinc/13/70/33/970137033.db2.gz GNTKNYGRHAJGGD-NSHDSACASA-N 2 1 218.304 1.091 20 0 BDADMP CC[NH+](CC)C1CCN([C@H]2CC[N@@H+](C)C2)CC1 ZINC001255435289 970158938 /nfs/dbraw/zinc/15/89/38/970158938.db2.gz DFMLQCJSSCBMKX-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@H+]1CC[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001255436116 970162668 /nfs/dbraw/zinc/16/26/68/970162668.db2.gz PCNFBMSLGUCKSK-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP CCCC[N@H+](C)CCN[C@@H]1CCC[NH+](C)C1 ZINC001255467765 970193797 /nfs/dbraw/zinc/19/37/97/970193797.db2.gz LBJSPGQZPYDGKR-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[NH+](C)C1 ZINC001255467765 970193807 /nfs/dbraw/zinc/19/38/07/970193807.db2.gz LBJSPGQZPYDGKR-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CCC[N@H+](C)C1 ZINC001255467765 970193812 /nfs/dbraw/zinc/19/38/12/970193812.db2.gz LBJSPGQZPYDGKR-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CCC[N@@H+](C)C1 ZINC001255467765 970193817 /nfs/dbraw/zinc/19/38/17/970193817.db2.gz LBJSPGQZPYDGKR-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CCC[NH+](CCC)CCN[C@@H]1CCC[N@@H+](C)C1 ZINC001255468275 970194252 /nfs/dbraw/zinc/19/42/52/970194252.db2.gz RPDWSTRATNKXNA-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP C[N@H+]1CCC[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001255472854 970200248 /nfs/dbraw/zinc/20/02/48/970200248.db2.gz JFJIZMIDJQGHOM-OLZOCXBDSA-N 2 1 245.370 1.643 20 0 BDADMP C[N@H+]1CCC[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001255472853 970200989 /nfs/dbraw/zinc/20/09/89/970200989.db2.gz JFJIZMIDJQGHOM-CHWSQXEVSA-N 2 1 245.370 1.643 20 0 BDADMP C[N@H+]1CCC[C@H](n2nnc3ccc(C[NH3+])cc32)C1 ZINC001255471812 970201687 /nfs/dbraw/zinc/20/16/87/970201687.db2.gz HGDXPSBBUVFCCS-NSHDSACASA-N 2 1 245.330 1.157 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001255477596 970211356 /nfs/dbraw/zinc/21/13/56/970211356.db2.gz NXZWGKSTTWRCJF-GFCCVEGCSA-N 2 1 237.322 1.791 20 0 BDADMP C[NH2+]Cc1cccc(N[C@H]2CCC[N@@H+](C)C2)c1 ZINC001255490804 970245258 /nfs/dbraw/zinc/24/52/58/970245258.db2.gz YAXOCFMCURMDQC-AWEZNQCLSA-N 2 1 233.359 1.912 20 0 BDADMP CCN(CCC[NH+](C)C)[C@H]1CCC[N@@H+](C)C1 ZINC001255495948 970258076 /nfs/dbraw/zinc/25/80/76/970258076.db2.gz VSZBMFIORNVPCW-ZDUSSCGKSA-N 2 1 227.396 1.354 20 0 BDADMP C[C@@H]1CC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001170103100 970294264 /nfs/dbraw/zinc/29/42/64/970294264.db2.gz XKWNBUMGJWOIGM-MXWKQRLJSA-N 2 1 223.320 1.106 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC001170119276 970344258 /nfs/dbraw/zinc/34/42/58/970344258.db2.gz XBYZERAKYPOLLO-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662716 970444195 /nfs/dbraw/zinc/44/41/95/970444195.db2.gz RGHTWCDQEWJELE-JVGWCMFKSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662716 970444199 /nfs/dbraw/zinc/44/41/99/970444199.db2.gz RGHTWCDQEWJELE-JVGWCMFKSA-N 2 1 208.349 2.000 20 0 BDADMP COCC[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255674336 970448050 /nfs/dbraw/zinc/44/80/50/970448050.db2.gz QBZMWPPKRHCANV-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP COCC[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674336 970448056 /nfs/dbraw/zinc/44/80/56/970448056.db2.gz QBZMWPPKRHCANV-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP COCC[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674336 970448066 /nfs/dbraw/zinc/44/80/66/970448066.db2.gz QBZMWPPKRHCANV-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC001255955084 970585609 /nfs/dbraw/zinc/58/56/09/970585609.db2.gz NPPPWJVITOFSMN-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](O)C1 ZINC001255955084 970585616 /nfs/dbraw/zinc/58/56/16/970585616.db2.gz NPPPWJVITOFSMN-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H]1COC ZINC001255968654 970609360 /nfs/dbraw/zinc/60/93/60/970609360.db2.gz DVHJKAMJHNVUCF-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]1COC ZINC001255968654 970609368 /nfs/dbraw/zinc/60/93/68/970609368.db2.gz DVHJKAMJHNVUCF-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)(O)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069622 970634026 /nfs/dbraw/zinc/63/40/26/970634026.db2.gz IWBJDLWEHOTLNO-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP CCC[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256067963 970634074 /nfs/dbraw/zinc/63/40/74/970634074.db2.gz PUBLYOFDVLARTG-LBPRGKRZSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@]1(O)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256068164 970637313 /nfs/dbraw/zinc/63/73/13/970637313.db2.gz YZLLCLIVVUXWNF-AULYBMBSSA-N 2 1 224.348 1.116 20 0 BDADMP C1CC1N1CCC([N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001256075228 970639809 /nfs/dbraw/zinc/63/98/09/970639809.db2.gz FNJIJUSQXIZXKA-ZIAGYGMSSA-N 2 1 236.359 1.476 20 0 BDADMP C1CC1[NH+]1CCC([N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001256075228 970639813 /nfs/dbraw/zinc/63/98/13/970639813.db2.gz FNJIJUSQXIZXKA-ZIAGYGMSSA-N 2 1 236.359 1.476 20 0 BDADMP C1CC1[NH+]1CCC([N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001256075228 970639815 /nfs/dbraw/zinc/63/98/15/970639815.db2.gz FNJIJUSQXIZXKA-ZIAGYGMSSA-N 2 1 236.359 1.476 20 0 BDADMP C1CC1[NH+]1CCC([N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001256080929 970646856 /nfs/dbraw/zinc/64/68/56/970646856.db2.gz IMYWZTULTOJOEO-SMDDNHRTSA-N 2 1 236.359 1.334 20 0 BDADMP C1CC1[NH+]1CCC([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001256080929 970646861 /nfs/dbraw/zinc/64/68/61/970646861.db2.gz IMYWZTULTOJOEO-SMDDNHRTSA-N 2 1 236.359 1.334 20 0 BDADMP C[N@H+]1C[C@@H]2C[C@H]1CN2C1CC[NH+](C2CC2)CC1 ZINC001256079840 970649179 /nfs/dbraw/zinc/64/91/79/970649179.db2.gz OVVHVBVIDJWWBE-KBPBESRZSA-N 2 1 235.375 1.002 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+](C3CC[NH+](C)CC3)CC[C@H]2O1 ZINC001256203666 970700877 /nfs/dbraw/zinc/70/08/77/970700877.db2.gz KYURSEWMCQDORQ-SGMGOOAPSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001256208304 970710942 /nfs/dbraw/zinc/71/09/42/970710942.db2.gz DPLULLAFGGOEQO-CNDDSTCGSA-N 2 1 212.312 1.228 20 0 BDADMP C[NH+]1CCC([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001256208304 970710953 /nfs/dbraw/zinc/71/09/53/970710953.db2.gz DPLULLAFGGOEQO-CNDDSTCGSA-N 2 1 212.312 1.228 20 0 BDADMP CN1CCC([N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001256207277 970712453 /nfs/dbraw/zinc/71/24/53/970712453.db2.gz FWTMFOVWVXEFKQ-AWEZNQCLSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001256207277 970712465 /nfs/dbraw/zinc/71/24/65/970712465.db2.gz FWTMFOVWVXEFKQ-AWEZNQCLSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001256207277 970712477 /nfs/dbraw/zinc/71/24/77/970712477.db2.gz FWTMFOVWVXEFKQ-AWEZNQCLSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC001256208648 970714948 /nfs/dbraw/zinc/71/49/48/970714948.db2.gz LOUQDQAJAKUCDR-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC001256208648 970714953 /nfs/dbraw/zinc/71/49/53/970714953.db2.gz LOUQDQAJAKUCDR-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP CN1CCC([N@@H+](C)CCc2ccncc2)CC1 ZINC001256207423 970715226 /nfs/dbraw/zinc/71/52/26/970715226.db2.gz JHVGCLMWBFVCAA-UHFFFAOYSA-N 2 1 233.359 1.650 20 0 BDADMP C[N@H+](CCc1ccncc1)C1CC[NH+](C)CC1 ZINC001256207423 970715232 /nfs/dbraw/zinc/71/52/32/970715232.db2.gz JHVGCLMWBFVCAA-UHFFFAOYSA-N 2 1 233.359 1.650 20 0 BDADMP C[N@@H+](CCc1ccncc1)C1CC[NH+](C)CC1 ZINC001256207423 970715238 /nfs/dbraw/zinc/71/52/38/970715238.db2.gz JHVGCLMWBFVCAA-UHFFFAOYSA-N 2 1 233.359 1.650 20 0 BDADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H](C)CCC(C)C ZINC001256355625 970754196 /nfs/dbraw/zinc/75/41/96/970754196.db2.gz ZOVBBRRLGNSWPZ-WDEREUQCSA-N 2 1 230.352 1.149 20 0 BDADMP CCSC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542301 972566580 /nfs/dbraw/zinc/56/65/80/972566580.db2.gz JWGYDCTVYZTTPF-IVZWLZJFSA-N 2 1 202.367 1.550 20 0 BDADMP CCSC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542301 972566606 /nfs/dbraw/zinc/56/66/06/972566606.db2.gz JWGYDCTVYZTTPF-IVZWLZJFSA-N 2 1 202.367 1.550 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC001246548412 972686759 /nfs/dbraw/zinc/68/67/59/972686759.db2.gz GMDVCNLXEQYXHL-FEPKRQSRSA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CCC([N@@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246547948 972689798 /nfs/dbraw/zinc/68/97/98/972689798.db2.gz DPIDRUAFYGQQEK-AWEZNQCLSA-N 2 1 239.407 1.674 20 0 BDADMP CCN1CCC([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246547948 972689802 /nfs/dbraw/zinc/68/98/02/972689802.db2.gz DPIDRUAFYGQQEK-AWEZNQCLSA-N 2 1 239.407 1.674 20 0 BDADMP CCN1CCC([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246547958 972691221 /nfs/dbraw/zinc/69/12/21/972691221.db2.gz DPIDRUAFYGQQEK-CQSZACIVSA-N 2 1 239.407 1.674 20 0 BDADMP CCN1CCC([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246547958 972691229 /nfs/dbraw/zinc/69/12/29/972691229.db2.gz DPIDRUAFYGQQEK-CQSZACIVSA-N 2 1 239.407 1.674 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550964 972723144 /nfs/dbraw/zinc/72/31/44/972723144.db2.gz ZMWNKTIDFVDZFG-MQYQWHSLSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550964 972723160 /nfs/dbraw/zinc/72/31/60/972723160.db2.gz ZMWNKTIDFVDZFG-MQYQWHSLSA-N 3 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550964 972723170 /nfs/dbraw/zinc/72/31/70/972723170.db2.gz ZMWNKTIDFVDZFG-MQYQWHSLSA-N 3 1 237.391 1.425 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550964 972723179 /nfs/dbraw/zinc/72/31/79/972723179.db2.gz ZMWNKTIDFVDZFG-MQYQWHSLSA-N 3 1 237.391 1.425 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550964 972723190 /nfs/dbraw/zinc/72/31/90/972723190.db2.gz ZMWNKTIDFVDZFG-MQYQWHSLSA-N 3 1 237.391 1.425 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C[C@]1(C)O ZINC001246566046 972807093 /nfs/dbraw/zinc/80/70/93/972807093.db2.gz RJPDQIQJFHSFCG-VOAKCMCISA-N 2 1 226.364 1.220 20 0 BDADMP Cc1[nH+]ccn1-c1ccc(NCC(C)(C)[NH3+])nn1 ZINC001171191133 972837253 /nfs/dbraw/zinc/83/72/53/972837253.db2.gz KFWWJNYPDVIEDE-UHFFFAOYSA-N 2 1 246.318 1.120 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CCCOC2)CC1 ZINC001246577899 972895718 /nfs/dbraw/zinc/89/57/18/972895718.db2.gz QRLGLQOWLTVIHR-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579273 972914499 /nfs/dbraw/zinc/91/44/99/972914499.db2.gz UAQNBBQHRXTQQA-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1CC([N@@H+]2CCCC[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246580926 972945583 /nfs/dbraw/zinc/94/55/83/972945583.db2.gz JATWVJVGCRILGM-JHJVBQTASA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1CC([N@H+]2CCCC[C@H](C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246580926 972945602 /nfs/dbraw/zinc/94/56/02/972945602.db2.gz JATWVJVGCRILGM-JHJVBQTASA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246591703 972998789 /nfs/dbraw/zinc/99/87/89/972998789.db2.gz NNZMVYXBJYZYJS-YIYPIFLZSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246596739 973016382 /nfs/dbraw/zinc/01/63/82/973016382.db2.gz VJBRIJRGUUDNOW-ZIAGYGMSSA-N 3 1 241.423 1.837 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246596739 973016394 /nfs/dbraw/zinc/01/63/94/973016394.db2.gz VJBRIJRGUUDNOW-ZIAGYGMSSA-N 3 1 241.423 1.837 20 0 BDADMP CCCC[C@@H](CC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246623150 973040381 /nfs/dbraw/zinc/04/03/81/973040381.db2.gz JHAIWRUTLHUFAX-KGLIPLIRSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246691044 973085520 /nfs/dbraw/zinc/08/55/20/973085520.db2.gz OYVVMNCESXTRRJ-NWDGAFQWSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1C1CCC2(C[NH2+]C2)CC1 ZINC001246691044 973085533 /nfs/dbraw/zinc/08/55/33/973085533.db2.gz OYVVMNCESXTRRJ-NWDGAFQWSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cnccn2)CC[NH2+]1 ZINC001246798587 973102224 /nfs/dbraw/zinc/10/22/24/973102224.db2.gz VLZSUMCCWCXTLO-YRGRVCCFSA-N 2 1 246.358 1.754 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cnccn2)CC[NH2+]1 ZINC001246798587 973102238 /nfs/dbraw/zinc/10/22/38/973102238.db2.gz VLZSUMCCWCXTLO-YRGRVCCFSA-N 2 1 246.358 1.754 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852782 973163073 /nfs/dbraw/zinc/16/30/73/973163073.db2.gz KPBQDLGEFMCYDL-RGDJUOJXSA-N 3 1 235.375 1.083 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852782 973163085 /nfs/dbraw/zinc/16/30/85/973163085.db2.gz KPBQDLGEFMCYDL-RGDJUOJXSA-N 3 1 235.375 1.083 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1CCC(F)(F)CC1)C2 ZINC001246862845 973177262 /nfs/dbraw/zinc/17/72/62/973177262.db2.gz SAZOWGWQQWLPOH-GXSJLCMTSA-N 2 1 230.302 1.987 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860593 973181862 /nfs/dbraw/zinc/18/18/62/973181862.db2.gz NLBFDZWZWUHPHA-YDHLFZDLSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@H]1C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860593 973181882 /nfs/dbraw/zinc/18/18/82/973181882.db2.gz NLBFDZWZWUHPHA-YDHLFZDLSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@H]1C[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860593 973181901 /nfs/dbraw/zinc/18/19/01/973181901.db2.gz NLBFDZWZWUHPHA-YDHLFZDLSA-N 2 1 249.402 1.332 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246867270 973238596 /nfs/dbraw/zinc/23/85/96/973238596.db2.gz HRLPYVQSAPWOKP-PEBLQZBPSA-N 2 1 235.375 1.035 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc2ccc(C)cn12 ZINC001328676704 973257931 /nfs/dbraw/zinc/25/79/31/973257931.db2.gz DKQBEFDHAYEZRI-GFCCVEGCSA-N 2 1 246.358 1.730 20 0 BDADMP FC[C@H]1[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC001246875113 973268865 /nfs/dbraw/zinc/26/88/65/973268865.db2.gz XPRPEVIBNCZAHH-YGIIGYLSSA-N 2 1 224.323 1.417 20 0 BDADMP CN1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246923315 973544542 /nfs/dbraw/zinc/54/45/42/973544542.db2.gz YVSUYSOBUKAAEK-YYJFMHSASA-N 2 1 249.402 1.295 20 0 BDADMP CCC1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923671 973555514 /nfs/dbraw/zinc/55/55/14/973555514.db2.gz YLZGTFAQHSETRV-PYNQCMFNSA-N 2 1 208.349 1.859 20 0 BDADMP CCC1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923671 973555521 /nfs/dbraw/zinc/55/55/21/973555521.db2.gz YLZGTFAQHSETRV-PYNQCMFNSA-N 2 1 208.349 1.859 20 0 BDADMP C1CC2(C1)CCC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246937790 973619001 /nfs/dbraw/zinc/61/90/01/973619001.db2.gz CMDAQYSTKRKCFG-CYBMUJFWSA-N 2 1 249.402 1.347 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CO1 ZINC001246940666 973647779 /nfs/dbraw/zinc/64/77/79/973647779.db2.gz JPYUUBHEONDCLB-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@H+]1CC[C@@H](OCC2CC[NH+](C)CC2)C1 ZINC001224449126 973651731 /nfs/dbraw/zinc/65/17/31/973651731.db2.gz DYGPDZRRFKOUAI-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(CO[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001224454763 973656348 /nfs/dbraw/zinc/65/63/48/973656348.db2.gz ROUFTIKQGBVGCH-CYBMUJFWSA-N 2 1 249.358 1.556 20 0 BDADMP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH2+]1 ZINC001246962114 973675124 /nfs/dbraw/zinc/67/51/24/973675124.db2.gz CXUFJMBTGHNERQ-KCLGILNXSA-N 2 1 237.391 1.294 20 0 BDADMP C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)[NH2+]1 ZINC001246962126 973675396 /nfs/dbraw/zinc/67/53/96/973675396.db2.gz CXUFJMBTGHNERQ-POQQGIQPSA-N 2 1 237.391 1.294 20 0 BDADMP CC[C@H](N)C[N@@H+](C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246973195 973709675 /nfs/dbraw/zinc/70/96/75/973709675.db2.gz IFFGHHZYOVEZFY-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246973195 973709699 /nfs/dbraw/zinc/70/96/99/973709699.db2.gz IFFGHHZYOVEZFY-MELADBBJSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H](N)C[N@@H+](C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246973197 973710206 /nfs/dbraw/zinc/71/02/06/973710206.db2.gz IFFGHHZYOVEZFY-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246973197 973710218 /nfs/dbraw/zinc/71/02/18/973710218.db2.gz IFFGHHZYOVEZFY-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP COC[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000234730117 973731807 /nfs/dbraw/zinc/73/18/07/973731807.db2.gz DFWJAFZXNDSPBO-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234798532 973764643 /nfs/dbraw/zinc/76/46/43/973764643.db2.gz KIGLPUUYUZVAEZ-AGIUHOORSA-N 2 1 226.364 1.200 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]([NH3+])C3(COC3)C2)C[C@H]1C ZINC001246986435 973769005 /nfs/dbraw/zinc/76/90/05/973769005.db2.gz DEEARRPLGVIDMF-NDBYEHHHSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]([NH3+])C3(COC3)C2)C[C@H]1C ZINC001246986435 973769015 /nfs/dbraw/zinc/76/90/15/973769015.db2.gz DEEARRPLGVIDMF-NDBYEHHHSA-N 2 1 238.375 1.471 20 0 BDADMP C1=C2NCC[N@@H+]([C@@H]3CCC[NH2+]CC3)[C@@H]2CCC1 ZINC001246991791 973782450 /nfs/dbraw/zinc/78/24/50/973782450.db2.gz BXILAIFYMRCFRO-TZMCWYRMSA-N 2 1 235.375 1.470 20 0 BDADMP C1=C2NCC[N@H+]([C@@H]3CCC[NH2+]CC3)[C@@H]2CCC1 ZINC001246991791 973782459 /nfs/dbraw/zinc/78/24/59/973782459.db2.gz BXILAIFYMRCFRO-TZMCWYRMSA-N 2 1 235.375 1.470 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246994442 973786050 /nfs/dbraw/zinc/78/60/50/973786050.db2.gz VWYSLGZONZLODE-AEBFUODCSA-N 2 1 235.375 1.048 20 0 BDADMP C1[NH2+]CC12CC[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247014107 973796306 /nfs/dbraw/zinc/79/63/06/973796306.db2.gz IYBKLBGKKPHIBK-MELADBBJSA-N 3 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12CC[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247014107 973796313 /nfs/dbraw/zinc/79/63/13/973796313.db2.gz IYBKLBGKKPHIBK-MELADBBJSA-N 3 1 249.402 1.202 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OC[C@@H]2CCCC[NH+]2C)C1 ZINC001224700826 973866774 /nfs/dbraw/zinc/86/67/74/973866774.db2.gz BDPOERWZIGTRHR-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CC[C@@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224700826 973866777 /nfs/dbraw/zinc/86/67/77/973866777.db2.gz BDPOERWZIGTRHR-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CC[C@@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224700826 973866786 /nfs/dbraw/zinc/86/67/86/973866786.db2.gz BDPOERWZIGTRHR-UONOGXRCSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]CCc1c[nH+]cn1[C@H]1Cc2cccc(F)c2C1 ZINC001171769431 974151808 /nfs/dbraw/zinc/15/18/08/974151808.db2.gz QRZZQZWSVFDMOG-LBPRGKRZSA-N 2 1 245.301 1.863 20 0 BDADMP [NH3+]CC1([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171790340 974179399 /nfs/dbraw/zinc/17/93/99/974179399.db2.gz JDGFRBZYUIPTCC-JTQLQIEISA-N 2 1 220.291 1.374 20 0 BDADMP C[C@H](C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1)C(F)(F)F ZINC001206152765 974232470 /nfs/dbraw/zinc/23/24/70/974232470.db2.gz ARVNSVNSRHGJGT-HLTSFMKQSA-N 2 1 242.260 1.946 20 0 BDADMP CCOC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154991 974268019 /nfs/dbraw/zinc/26/80/19/974268019.db2.gz KJXUFIGZRBPBTN-WDEREUQCSA-N 2 1 232.343 1.563 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154991 974268030 /nfs/dbraw/zinc/26/80/30/974268030.db2.gz KJXUFIGZRBPBTN-WDEREUQCSA-N 2 1 232.343 1.563 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)CC[C@@H]1F ZINC001206154176 974314657 /nfs/dbraw/zinc/31/46/57/974314657.db2.gz HFWPBEUANYMFMO-QWHCGFSZSA-N 2 1 222.307 1.948 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)CC[C@@H]1F ZINC001206154176 974314667 /nfs/dbraw/zinc/31/46/67/974314667.db2.gz HFWPBEUANYMFMO-QWHCGFSZSA-N 2 1 222.307 1.948 20 0 BDADMP N[C@H]1CC[N@@H+](CCC2CCOCC2)CC[C@H]1F ZINC001206156800 974328386 /nfs/dbraw/zinc/32/83/86/974328386.db2.gz SXFZZEBAXJZJAX-OLZOCXBDSA-N 2 1 244.354 1.564 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC2CCOCC2)CC[C@H]1F ZINC001206156800 974328390 /nfs/dbraw/zinc/32/83/90/974328390.db2.gz SXFZZEBAXJZJAX-OLZOCXBDSA-N 2 1 244.354 1.564 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC2CCOCC2)CC[C@H]1F ZINC001206156800 974328397 /nfs/dbraw/zinc/32/83/97/974328397.db2.gz SXFZZEBAXJZJAX-OLZOCXBDSA-N 2 1 244.354 1.564 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156721 974334282 /nfs/dbraw/zinc/33/42/82/974334282.db2.gz SIBRLEPQOQWHRV-WDEREUQCSA-N 2 1 244.354 1.753 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156721 974334261 /nfs/dbraw/zinc/33/42/61/974334261.db2.gz SIBRLEPQOQWHRV-WDEREUQCSA-N 2 1 244.354 1.753 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156721 974334272 /nfs/dbraw/zinc/33/42/72/974334272.db2.gz SIBRLEPQOQWHRV-WDEREUQCSA-N 2 1 244.354 1.753 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCCO)C2 ZINC001172100634 974346681 /nfs/dbraw/zinc/34/66/81/974346681.db2.gz RCLITWOUJSOFMH-BTTYYORXSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnccn1)C2 ZINC001172102811 974358689 /nfs/dbraw/zinc/35/86/89/974358689.db2.gz PBXKRUGPPMEAAH-UBSAEIQESA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnccn1)C2 ZINC001172102811 974358705 /nfs/dbraw/zinc/35/87/05/974358705.db2.gz PBXKRUGPPMEAAH-UBSAEIQESA-N 2 1 246.358 1.582 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103388 974359074 /nfs/dbraw/zinc/35/90/74/974359074.db2.gz UGYUDKIMBYTRDC-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001172103114 974361204 /nfs/dbraw/zinc/36/12/04/974361204.db2.gz RZEWOEKBDDQEQD-SYQHCUMBSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001172103114 974361214 /nfs/dbraw/zinc/36/12/14/974361214.db2.gz RZEWOEKBDDQEQD-SYQHCUMBSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(C[NH3+])cn1)C2 ZINC001172108036 974364973 /nfs/dbraw/zinc/36/49/73/974364973.db2.gz OCKWYZSEMUBHIK-ITGUQSILSA-N 2 1 234.347 1.530 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103665 974368255 /nfs/dbraw/zinc/36/82/55/974368255.db2.gz WKQZYDKUPPMYIT-FQUUOJAGSA-N 2 1 239.407 1.541 20 0 BDADMP COCC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172114300 974378910 /nfs/dbraw/zinc/37/89/10/974378910.db2.gz QBZMWPPKRHCANV-ITGUQSILSA-N 2 1 226.364 1.580 20 0 BDADMP COCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114300 974378911 /nfs/dbraw/zinc/37/89/11/974378911.db2.gz QBZMWPPKRHCANV-ITGUQSILSA-N 2 1 226.364 1.580 20 0 BDADMP COCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114300 974378915 /nfs/dbraw/zinc/37/89/15/974378915.db2.gz QBZMWPPKRHCANV-ITGUQSILSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113026 974379302 /nfs/dbraw/zinc/37/93/02/974379302.db2.gz DYTNPJGCWHQILX-LPWJVIDDSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](O)C1)C2 ZINC001172113179 974380712 /nfs/dbraw/zinc/38/07/12/974380712.db2.gz HHTFROZEAPGJOV-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](O)C1)C2 ZINC001172113179 974380720 /nfs/dbraw/zinc/38/07/20/974380720.db2.gz HHTFROZEAPGJOV-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](O)C1)C2 ZINC001172113179 974380727 /nfs/dbraw/zinc/38/07/27/974380727.db2.gz HHTFROZEAPGJOV-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](O)C1)C2 ZINC001172113179 974380734 /nfs/dbraw/zinc/38/07/34/974380734.db2.gz HHTFROZEAPGJOV-DGAVXFQQSA-N 2 1 238.375 1.458 20 0 BDADMP C[C@H](O)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113027 974383514 /nfs/dbraw/zinc/38/35/14/974383514.db2.gz DYTNPJGCWHQILX-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119979 974386957 /nfs/dbraw/zinc/38/69/57/974386957.db2.gz IDEZLXSXBAYSQH-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119979 974386968 /nfs/dbraw/zinc/38/69/68/974386968.db2.gz IDEZLXSXBAYSQH-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119979 974386983 /nfs/dbraw/zinc/38/69/83/974386983.db2.gz IDEZLXSXBAYSQH-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119979 974386993 /nfs/dbraw/zinc/38/69/93/974386993.db2.gz IDEZLXSXBAYSQH-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001172122191 974391329 /nfs/dbraw/zinc/39/13/29/974391329.db2.gz XJXRXWSSWDPASL-ODXJTPSBSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001172122191 974391333 /nfs/dbraw/zinc/39/13/33/974391333.db2.gz XJXRXWSSWDPASL-ODXJTPSBSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1O ZINC001172122191 974391340 /nfs/dbraw/zinc/39/13/40/974391340.db2.gz XJXRXWSSWDPASL-ODXJTPSBSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1O ZINC001172122191 974391345 /nfs/dbraw/zinc/39/13/45/974391345.db2.gz XJXRXWSSWDPASL-ODXJTPSBSA-N 2 1 238.375 1.314 20 0 BDADMP COCCC[NH+]1CCC([NH2+]C(C)(C)C)CC1 ZINC001172242760 974508941 /nfs/dbraw/zinc/50/89/41/974508941.db2.gz GYKGHTOTUIZJOH-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172287800 974549001 /nfs/dbraw/zinc/54/90/01/974549001.db2.gz CBBLXWJXTNMISP-GRYCIOLGSA-N 2 1 224.348 1.047 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172287800 974549007 /nfs/dbraw/zinc/54/90/07/974549007.db2.gz CBBLXWJXTNMISP-GRYCIOLGSA-N 2 1 224.348 1.047 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172287800 974549011 /nfs/dbraw/zinc/54/90/11/974549011.db2.gz CBBLXWJXTNMISP-GRYCIOLGSA-N 2 1 224.348 1.047 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1COC(C)(C)C1)C2 ZINC001172290234 974557263 /nfs/dbraw/zinc/55/72/63/974557263.db2.gz CBMWBWYJHDADLW-YRGRVCCFSA-N 2 1 238.375 1.437 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1COC(C)(C)C1 ZINC001172290534 974557598 /nfs/dbraw/zinc/55/75/98/974557598.db2.gz CZVAUYDMEIEFKF-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2C[C@@H]2C)C1 ZINC001331900112 974856656 /nfs/dbraw/zinc/85/66/56/974856656.db2.gz CADCJDCVMQNIOC-TUAOUCFPSA-N 2 1 238.379 1.241 20 0 BDADMP OCC12CCC(CC1)[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC001331965607 974894875 /nfs/dbraw/zinc/89/48/75/974894875.db2.gz IWBKXVUCAMBRPF-IYXRBSQSSA-N 2 1 238.375 1.365 20 0 BDADMP CC[NH+](CC)C1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001173104045 975021346 /nfs/dbraw/zinc/02/13/46/975021346.db2.gz DEODJHQOWFNQKU-UHFFFAOYSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC001173174360 975050797 /nfs/dbraw/zinc/05/07/97/975050797.db2.gz SDWMYLZXZGZXJN-BFHYXJOUSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC001173174360 975050803 /nfs/dbraw/zinc/05/08/03/975050803.db2.gz SDWMYLZXZGZXJN-BFHYXJOUSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC001173174360 975050807 /nfs/dbraw/zinc/05/08/07/975050807.db2.gz SDWMYLZXZGZXJN-BFHYXJOUSA-N 2 1 238.375 1.582 20 0 BDADMP C(C1CC1)[C@H]1COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001332334608 975060106 /nfs/dbraw/zinc/06/01/06/975060106.db2.gz NSVLULRNCGUCTH-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CC1)[C@H]1COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001332334608 975060111 /nfs/dbraw/zinc/06/01/11/975060111.db2.gz NSVLULRNCGUCTH-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCO[C@@H](C)C1 ZINC001173170024 975062992 /nfs/dbraw/zinc/06/29/92/975062992.db2.gz IENPGKILGLVKHE-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP CCSC[C@H](C)[N@H+](CC[NH3+])C(C)C ZINC001173291008 975263449 /nfs/dbraw/zinc/26/34/49/975263449.db2.gz HZYIXXJVRUNYIO-JTQLQIEISA-N 2 1 204.383 1.797 20 0 BDADMP CCSC[C@H](C)[N@@H+](CC[NH3+])C(C)C ZINC001173291008 975263467 /nfs/dbraw/zinc/26/34/67/975263467.db2.gz HZYIXXJVRUNYIO-JTQLQIEISA-N 2 1 204.383 1.797 20 0 BDADMP CCCN(CCC[NH3+])[C@H]1CC[N@@H+](CC)C1 ZINC001173349554 975292424 /nfs/dbraw/zinc/29/24/24/975292424.db2.gz IEKDRJJGCHQDNA-LBPRGKRZSA-N 2 1 213.369 1.141 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC001173360816 975334660 /nfs/dbraw/zinc/33/46/60/975334660.db2.gz PUWZVVALYHNUFD-AWEZNQCLSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH+]2CCCC2)C1 ZINC001173365903 975347419 /nfs/dbraw/zinc/34/74/19/975347419.db2.gz RTKUYTYNXGOGER-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP COCC(COC)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001333029088 975379211 /nfs/dbraw/zinc/37/92/11/975379211.db2.gz JQRPISTZVHNJHV-GFCCVEGCSA-N 2 1 244.379 1.064 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2COC[C@@H]2C)C1 ZINC001333559076 975850826 /nfs/dbraw/zinc/85/08/26/975850826.db2.gz NHWJKEYMIHFYDL-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP Cn1c[nH+]cc1Nc1ccc2[nH+]ccn2c1 ZINC001174278983 976430039 /nfs/dbraw/zinc/43/00/39/976430039.db2.gz WLTHNAJKPZPWHI-UHFFFAOYSA-N 2 1 213.244 1.811 20 0 BDADMP OCC12CCC(CC1)[N@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC001334739813 976612171 /nfs/dbraw/zinc/61/21/71/976612171.db2.gz YRJVFFFODHGPRJ-IYXRBSQSSA-N 2 1 238.375 1.365 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC001334775111 976641378 /nfs/dbraw/zinc/64/13/78/976641378.db2.gz RSPQYAARQQYUKM-UHFFFAOYSA-N 2 1 216.288 1.144 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001335369385 977005925 /nfs/dbraw/zinc/00/59/25/977005925.db2.gz VMUOFBNNZBORRO-UONOGXRCSA-N 2 1 242.407 1.715 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)O ZINC001335413263 977038523 /nfs/dbraw/zinc/03/85/23/977038523.db2.gz OISYTGSSHKVNFM-NWDGAFQWSA-N 2 1 216.369 1.323 20 0 BDADMP CSC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001335433200 977054957 /nfs/dbraw/zinc/05/49/57/977054957.db2.gz RWNLROOTPBGSLK-RYUDHWBXSA-N 2 1 246.420 1.032 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H]([NH2+]CC2(O)CCC2)C1(C)C ZINC001335520783 977113487 /nfs/dbraw/zinc/11/34/87/977113487.db2.gz VMDVKARDINQISE-MNOVXSKESA-N 2 1 226.364 1.220 20 0 BDADMP Nc1ccc(NC[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000260264022 977354703 /nfs/dbraw/zinc/35/47/03/977354703.db2.gz XDIQTLIMNVHGQI-SECBINFHSA-N 2 1 206.293 1.218 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H](O)C1CC1 ZINC001335930577 977370101 /nfs/dbraw/zinc/37/01/01/977370101.db2.gz VEDGFGRYZUBFKH-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@H](N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC000721641230 977635894 /nfs/dbraw/zinc/63/58/94/977635894.db2.gz NNQNCSGVUAJADH-CABCVRRESA-N 2 1 245.370 1.076 20 0 BDADMP C[N@H+]1CC[C@H](N2Cc3ccccc3C[C@@H]2C[NH3+])C1 ZINC000721641233 977637727 /nfs/dbraw/zinc/63/77/27/977637727.db2.gz NNQNCSGVUAJADH-LSDHHAIUSA-N 2 1 245.370 1.076 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N)ncn2)C1 ZINC001336373666 977649472 /nfs/dbraw/zinc/64/94/72/977649472.db2.gz SGIKCBMRQOBMMF-LLVKDONJSA-N 2 1 249.362 1.227 20 0 BDADMP CCC[N@H+](C)C[C@H]1CCN(c2cc(N)[nH+]cn2)C1 ZINC001336373666 977649483 /nfs/dbraw/zinc/64/94/83/977649483.db2.gz SGIKCBMRQOBMMF-LLVKDONJSA-N 2 1 249.362 1.227 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N)[nH+]cn2)C1 ZINC001336373666 977649496 /nfs/dbraw/zinc/64/94/96/977649496.db2.gz SGIKCBMRQOBMMF-LLVKDONJSA-N 2 1 249.362 1.227 20 0 BDADMP C[C@]1(O)CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015042 977846660 /nfs/dbraw/zinc/84/66/60/977846660.db2.gz ZYIIOFHFLNYQLN-AWEZNQCLSA-N 2 1 245.326 1.910 20 0 BDADMP CC(C)c1[nH+]ccn1CC[NH2+]CC1(O)CCC1 ZINC001336704944 977869195 /nfs/dbraw/zinc/86/91/95/977869195.db2.gz ZAVZGDNDZDYUTR-UHFFFAOYSA-N 2 1 237.347 1.511 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)[nH+]1 ZINC001336870250 978013422 /nfs/dbraw/zinc/01/34/22/978013422.db2.gz FLBKLBGDURLLGI-GMTAPVOTSA-N 2 1 247.346 1.119 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000690455921 978290242 /nfs/dbraw/zinc/29/02/42/978290242.db2.gz YILJHWZIRSRSHU-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP COCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296929 978310267 /nfs/dbraw/zinc/31/02/67/978310267.db2.gz VLZPBBMBLJFPHC-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OCC[NH+]1CCCC1)C2 ZINC001206302723 978350940 /nfs/dbraw/zinc/35/09/40/978350940.db2.gz RKJUHGCYKWIBGC-BTTYYORXSA-N 2 1 238.375 1.724 20 0 BDADMP Cn1cnc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206305464 978388578 /nfs/dbraw/zinc/38/85/78/978388578.db2.gz ZVSHHZUYWPALPM-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]ccc2=O)CC1 ZINC001206325717 978543089 /nfs/dbraw/zinc/54/30/89/978543089.db2.gz HWWRWGWTDKCVLO-CQSZACIVSA-N 2 1 249.358 1.326 20 0 BDADMP Cc1ncc(CN2CCCC[C@](F)(C[NH3+])C2)[nH]1 ZINC001206361786 978658884 /nfs/dbraw/zinc/65/88/84/978658884.db2.gz KWGWDNWTYCHSOY-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1cc(F)cc(NCCC[NH+](C)C)[nH+]1 ZINC001339503337 978854144 /nfs/dbraw/zinc/85/41/44/978854144.db2.gz WSTUCOOKDCEPDS-UHFFFAOYSA-N 2 1 211.284 1.893 20 0 BDADMP Cc1[nH]c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)[nH+]1 ZINC001234655452 978890307 /nfs/dbraw/zinc/89/03/07/978890307.db2.gz RLVSINYAUYMYGS-TZMCWYRMSA-N 2 1 248.374 1.410 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+][C@H](C)C(C)=O)(C1)CCC2 ZINC001277889775 978904506 /nfs/dbraw/zinc/90/45/06/978904506.db2.gz REYVAPPUZLVDJG-KGYLQXTDSA-N 2 1 224.348 1.618 20 0 BDADMP [NH3+]CCCC[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001234982879 978941742 /nfs/dbraw/zinc/94/17/42/978941742.db2.gz WTCJYTATBMQCOE-KBPBESRZSA-N 2 1 244.338 1.637 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]CC1 ZINC001235019073 978955364 /nfs/dbraw/zinc/95/53/64/978955364.db2.gz ZEERRJVKCOJWGI-QWHCGFSZSA-N 3 1 237.391 1.060 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]CC1 ZINC001235019073 978955368 /nfs/dbraw/zinc/95/53/68/978955368.db2.gz ZEERRJVKCOJWGI-QWHCGFSZSA-N 3 1 237.391 1.060 20 0 BDADMP CC(C)CCC[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054506 978964963 /nfs/dbraw/zinc/96/49/63/978964963.db2.gz NFYUAZGQIAQQCH-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP C1=CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073544 978968512 /nfs/dbraw/zinc/96/85/12/978968512.db2.gz CITILGGTIOMYIS-YNEHKIRRSA-N 2 1 206.333 1.779 20 0 BDADMP C1=CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235073544 978968515 /nfs/dbraw/zinc/96/85/15/978968515.db2.gz CITILGGTIOMYIS-YNEHKIRRSA-N 2 1 206.333 1.779 20 0 BDADMP CC[C@@H](N)C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154977 978984617 /nfs/dbraw/zinc/98/46/17/978984617.db2.gz XJOIUQZFTXEJOX-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@@H]([NH3+])CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154977 978984624 /nfs/dbraw/zinc/98/46/24/978984624.db2.gz XJOIUQZFTXEJOX-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+]C1([C@H]2C[N@@H+](CCCCCO)C[C@H]2CF)CC1 ZINC001235398392 979035286 /nfs/dbraw/zinc/03/52/86/979035286.db2.gz VIISTFYDAOVAGE-NEPJUHHUSA-N 2 1 244.354 1.158 20 0 BDADMP Cc1ncn(C)c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001235549478 979092728 /nfs/dbraw/zinc/09/27/28/979092728.db2.gz OVVJVSGKPNHMLR-AWEZNQCLSA-N 2 1 248.374 1.256 20 0 BDADMP C(C[N@H+]1CCCC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001235711568 979131769 /nfs/dbraw/zinc/13/17/69/979131769.db2.gz RAEKZBGDSRPFIK-UHFFFAOYSA-N 3 1 237.391 1.062 20 0 BDADMP C(CN1CCCC2(C[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC001235711568 979131779 /nfs/dbraw/zinc/13/17/79/979131779.db2.gz RAEKZBGDSRPFIK-UHFFFAOYSA-N 2 1 237.391 1.062 20 0 BDADMP CC[C@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC001235769249 979142975 /nfs/dbraw/zinc/14/29/75/979142975.db2.gz PGBFYUFBTWPGEZ-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001235769249 979142970 /nfs/dbraw/zinc/14/29/70/979142970.db2.gz PGBFYUFBTWPGEZ-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]CCCC[N@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235858676 979174995 /nfs/dbraw/zinc/17/49/95/979174995.db2.gz ILJVAQXERSYBHP-CQSZACIVSA-N 2 1 233.359 1.372 20 0 BDADMP [NH3+]CCCCN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235858676 979175001 /nfs/dbraw/zinc/17/50/01/979175001.db2.gz ILJVAQXERSYBHP-CQSZACIVSA-N 2 1 233.359 1.372 20 0 BDADMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235891229 979184612 /nfs/dbraw/zinc/18/46/12/979184612.db2.gz DJUYLAJKQIFKCX-UPJWGTAASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H]([NH3+])CN1CC[C@H]1CCC[NH2+]C1 ZINC001235891229 979184626 /nfs/dbraw/zinc/18/46/26/979184626.db2.gz DJUYLAJKQIFKCX-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H](N)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235891229 979184633 /nfs/dbraw/zinc/18/46/33/979184633.db2.gz DJUYLAJKQIFKCX-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H](N)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235891229 979184641 /nfs/dbraw/zinc/18/46/41/979184641.db2.gz DJUYLAJKQIFKCX-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CNC(C)(C)O2)C1 ZINC001235949238 979221691 /nfs/dbraw/zinc/22/16/91/979221691.db2.gz ABHJAVRLBKLSEK-NEPJUHHUSA-N 2 1 226.364 1.833 20 0 BDADMP CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235949238 979221700 /nfs/dbraw/zinc/22/17/00/979221700.db2.gz ABHJAVRLBKLSEK-NEPJUHHUSA-N 2 1 226.364 1.833 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235949238 979221713 /nfs/dbraw/zinc/22/17/13/979221713.db2.gz ABHJAVRLBKLSEK-NEPJUHHUSA-N 2 1 226.364 1.833 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCc1ccccc1)C2 ZINC001235979920 979253328 /nfs/dbraw/zinc/25/33/28/979253328.db2.gz OGZJPHMCEQNCEG-KGLIPLIRSA-N 2 1 216.328 1.652 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCc1ccccc1)C2 ZINC001235979920 979253336 /nfs/dbraw/zinc/25/33/36/979253336.db2.gz OGZJPHMCEQNCEG-KGLIPLIRSA-N 2 1 216.328 1.652 20 0 BDADMP Nc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235992214 979282097 /nfs/dbraw/zinc/28/20/97/979282097.db2.gz QXSBKYDEXPAYMR-YPMHNXCESA-N 2 1 217.316 1.192 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235992214 979282108 /nfs/dbraw/zinc/28/21/08/979282108.db2.gz QXSBKYDEXPAYMR-YPMHNXCESA-N 2 1 217.316 1.192 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001236007584 979299049 /nfs/dbraw/zinc/29/90/49/979299049.db2.gz WKMJCENXYZSTGV-SNVBAGLBSA-N 2 1 234.290 1.225 20 0 BDADMP CS[C@H](C)CC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236014115 979300078 /nfs/dbraw/zinc/30/00/78/979300078.db2.gz FBCHDZMEQBHBHL-UTLUCORTSA-N 2 1 200.351 1.161 20 0 BDADMP CS[C@H](C)CC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236014115 979300090 /nfs/dbraw/zinc/30/00/90/979300090.db2.gz FBCHDZMEQBHBHL-UTLUCORTSA-N 2 1 200.351 1.161 20 0 BDADMP CCOC(=O)[C@@H]1CCCC[N@@H+](CCCC[NH3+])C1 ZINC001236038502 979333603 /nfs/dbraw/zinc/33/36/03/979333603.db2.gz QGDUMTFHYAXUPX-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@H]1C[C@@H](N)C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001236043928 979338860 /nfs/dbraw/zinc/33/88/60/979338860.db2.gz GGUATBGBFSUROS-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CN(CCC2CC[NH2+]CC2)C1 ZINC001236043928 979338869 /nfs/dbraw/zinc/33/88/69/979338869.db2.gz GGUATBGBFSUROS-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+]CCCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001236072085 979363558 /nfs/dbraw/zinc/36/35/58/979363558.db2.gz FOAJFMNONSCFFV-HNNXBMFYSA-N 2 1 248.370 1.669 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112390 979391373 /nfs/dbraw/zinc/39/13/73/979391373.db2.gz DUWYHEDUADREOB-LLVKDONJSA-N 2 1 239.388 1.433 20 0 BDADMP [NH3+]CCCC[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112390 979391378 /nfs/dbraw/zinc/39/13/78/979391378.db2.gz DUWYHEDUADREOB-LLVKDONJSA-N 2 1 239.388 1.433 20 0 BDADMP CCN(CC[NH2+]C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236143066 979409287 /nfs/dbraw/zinc/40/92/87/979409287.db2.gz GUJONEAYZOTITN-QWRGUYRKSA-N 2 1 249.349 1.019 20 0 BDADMP C[N@H+](Cc1cccc(N)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216903 979452945 /nfs/dbraw/zinc/45/29/45/979452945.db2.gz MBURJDBZIBZRHD-UONOGXRCSA-N 2 1 233.359 1.971 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216903 979452951 /nfs/dbraw/zinc/45/29/51/979452951.db2.gz MBURJDBZIBZRHD-UONOGXRCSA-N 2 1 233.359 1.971 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H]2CN)CC1 ZINC001236243210 979464724 /nfs/dbraw/zinc/46/47/24/979464724.db2.gz DVOXCLKHLMOYHI-GFCCVEGCSA-N 2 1 225.380 1.141 20 0 BDADMP C[NH+]1CCC(C)(CN2CCC[C@@H]2C[NH3+])CC1 ZINC001236243210 979464728 /nfs/dbraw/zinc/46/47/28/979464728.db2.gz DVOXCLKHLMOYHI-GFCCVEGCSA-N 2 1 225.380 1.141 20 0 BDADMP C[C@H]([NH3+])CN(C)CC[N@@H+](C)Cc1ccccc1 ZINC001236308593 979510614 /nfs/dbraw/zinc/51/06/14/979510614.db2.gz UDHOVBNLJPJRSH-ZDUSSCGKSA-N 2 1 235.375 1.397 20 0 BDADMP C(C1CCC1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314676 979524579 /nfs/dbraw/zinc/52/45/79/979524579.db2.gz RWTJCPSBDYUPHV-BETUJISGSA-N 2 1 208.349 1.718 20 0 BDADMP c1c[nH]c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236315233 979529438 /nfs/dbraw/zinc/52/94/38/979529438.db2.gz WZSVOLFFJFPCGF-TXEJJXNPSA-N 2 1 219.332 1.446 20 0 BDADMP Oc1cncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320758 979532606 /nfs/dbraw/zinc/53/26/06/979532606.db2.gz DUPUNNGIJLVTJM-BETUJISGSA-N 2 1 247.342 1.219 20 0 BDADMP c1nc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)co1 ZINC001236321114 979533588 /nfs/dbraw/zinc/53/35/88/979533588.db2.gz WKMCUMLVOTXRNQ-PHIMTYICSA-N 2 1 221.304 1.106 20 0 BDADMP Nc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236322144 979536061 /nfs/dbraw/zinc/53/60/61/979536061.db2.gz QYZZCOFXXMDMPK-TXEJJXNPSA-N 2 1 246.358 1.095 20 0 BDADMP Cn1cccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001203264796 979537253 /nfs/dbraw/zinc/53/72/53/979537253.db2.gz BASCLFAPJGWLJH-UHFFFAOYSA-N 2 1 247.386 1.943 20 0 BDADMP [NH3+]CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001236442197 979599043 /nfs/dbraw/zinc/59/90/43/979599043.db2.gz ZVCKNMUGMSJLDI-LSDHHAIUSA-N 2 1 245.370 1.151 20 0 BDADMP Cc1cc(C[NH3+])cc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC001341990525 979613681 /nfs/dbraw/zinc/61/36/81/979613681.db2.gz UOEGYTKSEDILLN-UHFFFAOYSA-N 2 1 247.342 1.486 20 0 BDADMP CC(C)C[N@@H+](CCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552023 979635452 /nfs/dbraw/zinc/63/54/52/979635452.db2.gz TXGYPAGZWGAHEL-JOCQHMNTSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)C[N@H+](C[C@H]1CCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549754 979636162 /nfs/dbraw/zinc/63/61/62/979636162.db2.gz ATIJQSGEJDJDLN-MGPQQGTHSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)C[N@@H+](C[C@H]1CCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549754 979636167 /nfs/dbraw/zinc/63/61/67/979636167.db2.gz ATIJQSGEJDJDLN-MGPQQGTHSA-N 2 1 239.407 1.576 20 0 BDADMP NCC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571426 979637575 /nfs/dbraw/zinc/63/75/75/979637575.db2.gz CVYBVCXXPMVJBW-UMSPYCQHSA-N 2 1 211.353 1.070 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCO)C2CCC2)CC1 ZINC001236571307 979639338 /nfs/dbraw/zinc/63/93/38/979639338.db2.gz BMQYYFCBMKBESI-AULYBMBSSA-N 2 1 226.364 1.493 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](CCF)CCOC)CC1 ZINC001182782220 979641950 /nfs/dbraw/zinc/64/19/50/979641950.db2.gz OMHXRHIAYRXWME-UHFFFAOYSA-N 2 1 246.370 1.636 20 0 BDADMP CC[N@@H+](C1CCOCC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000716444048 979660565 /nfs/dbraw/zinc/66/05/65/979660565.db2.gz TULYSDCXXGUVLI-AAEUAGOBSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnoc2)C1 ZINC001206549467 979676614 /nfs/dbraw/zinc/67/66/14/979676614.db2.gz NRUWYKYZQGRRKU-GFCCVEGCSA-N 2 1 223.320 1.626 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnoc2)C1 ZINC001206549467 979676625 /nfs/dbraw/zinc/67/66/25/979676625.db2.gz NRUWYKYZQGRRKU-GFCCVEGCSA-N 2 1 223.320 1.626 20 0 BDADMP Nc1cc(-n2c[nH+]c3cccc(N)c32)cc[nH+]1 ZINC001206550334 979695904 /nfs/dbraw/zinc/69/59/04/979695904.db2.gz CMHOGSKKQZLZPH-UHFFFAOYSA-N 2 1 225.255 1.585 20 0 BDADMP C[C@H](N)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768906 979722087 /nfs/dbraw/zinc/72/20/87/979722087.db2.gz SLGKKGABCRGFHR-AVGNSLFASA-N 2 1 241.423 1.952 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556414 979723426 /nfs/dbraw/zinc/72/34/26/979723426.db2.gz RIDXKGNKHDLOBV-CYBMUJFWSA-N 2 1 237.347 1.934 20 0 BDADMP Cc1ncoc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556414 979723433 /nfs/dbraw/zinc/72/34/33/979723433.db2.gz RIDXKGNKHDLOBV-CYBMUJFWSA-N 2 1 237.347 1.934 20 0 BDADMP CCC[N@@H+](CCCCO)C[C@H]1CC[NH2+]C1 ZINC001236827725 979746410 /nfs/dbraw/zinc/74/64/10/979746410.db2.gz GLRNEZIDLDUGRA-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001205265678 979816285 /nfs/dbraw/zinc/81/62/85/979816285.db2.gz QQYWVCFYBFBIKY-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP CCOC(=O)C[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C[C@@H]1C ZINC001237114648 979819783 /nfs/dbraw/zinc/81/97/83/979819783.db2.gz LMMRFVHBHLQUFP-TUAOUCFPSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)C[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C[C@@H]1C ZINC001237114648 979819787 /nfs/dbraw/zinc/81/97/87/979819787.db2.gz LMMRFVHBHLQUFP-TUAOUCFPSA-N 2 1 242.363 1.245 20 0 BDADMP COc1ncccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265296 979821519 /nfs/dbraw/zinc/82/15/19/979821519.db2.gz PPLNJBFYZHGKAC-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ncccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265296 979821520 /nfs/dbraw/zinc/82/15/20/979821520.db2.gz PPLNJBFYZHGKAC-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccnn2)CC1 ZINC001205273254 979834905 /nfs/dbraw/zinc/83/49/05/979834905.db2.gz IWUMJXQEWBZGBT-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccnn2)CC1 ZINC001205273254 979834910 /nfs/dbraw/zinc/83/49/10/979834910.db2.gz IWUMJXQEWBZGBT-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(N)c1)C2 ZINC001237220588 979850847 /nfs/dbraw/zinc/85/08/47/979850847.db2.gz SLHVTSQQWAMXNI-UKRRQHHQSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(N)c1)C2 ZINC001237220588 979850848 /nfs/dbraw/zinc/85/08/48/979850848.db2.gz SLHVTSQQWAMXNI-UKRRQHHQSA-N 2 1 245.370 1.652 20 0 BDADMP COC(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374688 979877297 /nfs/dbraw/zinc/87/72/97/979877297.db2.gz HTPXSGOBSYYPEM-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374688 979877305 /nfs/dbraw/zinc/87/73/05/979877305.db2.gz HTPXSGOBSYYPEM-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP C1=CO[C@H](C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237379381 979877352 /nfs/dbraw/zinc/87/73/52/979877352.db2.gz BBTDXYFEZQFWMF-MELADBBJSA-N 2 1 236.359 1.753 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)n1C ZINC001237380836 979878282 /nfs/dbraw/zinc/87/82/82/979878282.db2.gz HQFAJHBJPBFXBE-TZMCWYRMSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)n1C ZINC001237380834 979878580 /nfs/dbraw/zinc/87/85/80/979878580.db2.gz HQFAJHBJPBFXBE-OCCSQVGLSA-N 2 1 248.374 1.302 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374717 979878628 /nfs/dbraw/zinc/87/86/28/979878628.db2.gz IMGACBUIEOJYCA-ZIAGYGMSSA-N 3 1 237.391 1.060 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374717 979878632 /nfs/dbraw/zinc/87/86/32/979878632.db2.gz IMGACBUIEOJYCA-ZIAGYGMSSA-N 3 1 237.391 1.060 20 0 BDADMP c1cnn(CCC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237385002 979883546 /nfs/dbraw/zinc/88/35/46/979883546.db2.gz ZDGYINNDRCYULW-KGLIPLIRSA-N 2 1 248.374 1.347 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238103669 980150957 /nfs/dbraw/zinc/15/09/57/980150957.db2.gz OJEOCRWEDNIAHF-NEPJUHHUSA-N 2 1 245.326 1.537 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238103669 980150960 /nfs/dbraw/zinc/15/09/60/980150960.db2.gz OJEOCRWEDNIAHF-NEPJUHHUSA-N 2 1 245.326 1.537 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC3CCC2CC3)CCO1 ZINC000691663119 980382430 /nfs/dbraw/zinc/38/24/30/980382430.db2.gz RIIALDLFJSOIDT-CLRIEMFWSA-N 2 1 238.375 1.472 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC3CCC2CC3)CCO1 ZINC000691663119 980382428 /nfs/dbraw/zinc/38/24/28/980382428.db2.gz RIIALDLFJSOIDT-CLRIEMFWSA-N 2 1 238.375 1.472 20 0 BDADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC001345411219 980607421 /nfs/dbraw/zinc/60/74/21/980607421.db2.gz KLJWPUJSTGDDKU-PQAZSJQKSA-N 2 1 240.391 1.752 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)[C@H](C)O)C1 ZINC001191257054 981001647 /nfs/dbraw/zinc/00/16/47/981001647.db2.gz IPJLDPNEALYHEZ-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602374 981162512 /nfs/dbraw/zinc/16/25/12/981162512.db2.gz IHJMNTQNUSTDCF-TUAOUCFPSA-N 2 1 242.363 1.102 20 0 BDADMP COCC1([N@@H+](C)C[C@@H]2CCC[NH2+]C2)CCC1 ZINC001348820830 981452662 /nfs/dbraw/zinc/45/26/62/981452662.db2.gz HOEVTLZOQIQJIE-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC001348840499 981454692 /nfs/dbraw/zinc/45/46/92/981454692.db2.gz MJNOLYYOUXIHJZ-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP OC1(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC001580880495 981672867 /nfs/dbraw/zinc/67/28/67/981672867.db2.gz QGVXDOQEIGYUOQ-CHWSQXEVSA-N 2 1 238.375 1.223 20 0 BDADMP c1cnc([C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC001580896939 981735297 /nfs/dbraw/zinc/73/52/97/981735297.db2.gz YPJPKVZNBFRJTM-STQMWFEESA-N 2 1 246.358 1.266 20 0 BDADMP CC1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC001349842306 981789446 /nfs/dbraw/zinc/78/94/46/981789446.db2.gz ZFINORNPYDYZFN-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC001350399840 981962220 /nfs/dbraw/zinc/96/22/20/981962220.db2.gz ZMPATRHBACCPAH-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP Nc1cc(-c2cccc(CC[NH3+])c2)cc[nH+]1 ZINC001241170006 982314947 /nfs/dbraw/zinc/31/49/47/982314947.db2.gz UFYSIBPZZRIYRZ-UHFFFAOYSA-N 2 1 213.284 1.832 20 0 BDADMP OCc1c[nH+]ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001351950557 982414254 /nfs/dbraw/zinc/41/42/54/982414254.db2.gz PXIDVAWNEGGDQF-STQMWFEESA-N 2 1 247.342 1.035 20 0 BDADMP OCc1c[nH+]ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001351950555 982416459 /nfs/dbraw/zinc/41/64/59/982416459.db2.gz PXIDVAWNEGGDQF-QWHCGFSZSA-N 2 1 247.342 1.035 20 0 BDADMP C[N@@H+]1CC=C(c2ccc3c(n2)CC[NH2+]C3)CC1 ZINC001241307657 982444665 /nfs/dbraw/zinc/44/46/65/982444665.db2.gz JWLVGEZGXPHPIZ-UHFFFAOYSA-N 2 1 229.327 1.446 20 0 BDADMP C[NH+](C)Cc1ccnc(C2=CC[N@@H+](C)CC2)c1 ZINC001241317416 982472007 /nfs/dbraw/zinc/47/20/07/982472007.db2.gz OCYKIANOGXQNCX-UHFFFAOYSA-N 2 1 231.343 1.862 20 0 BDADMP C[C@H]1CCOCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001352775833 982570127 /nfs/dbraw/zinc/57/01/27/982570127.db2.gz ATAHNPUPIDXJFK-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000238383424 982674587 /nfs/dbraw/zinc/67/45/87/982674587.db2.gz DROJZPLHJHWKEQ-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1[nH]c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c(C)[nH+]1 ZINC001205840863 982734631 /nfs/dbraw/zinc/73/46/31/982734631.db2.gz IJANXMCHCXYHHX-JOYOIKCWSA-N 2 1 236.363 1.586 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC000690529667 983015059 /nfs/dbraw/zinc/01/50/59/983015059.db2.gz NYZNYWVRDFHDIR-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCCC[NH3+] ZINC001205902548 983115309 /nfs/dbraw/zinc/11/53/09/983115309.db2.gz KGVUQDOJUFESRE-CHWSQXEVSA-N 3 1 227.396 1.565 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001201513920 983277336 /nfs/dbraw/zinc/27/73/36/983277336.db2.gz CXPFXBTXNDXJRA-CYBMUJFWSA-N 2 1 227.396 1.212 20 0 BDADMP C[N@@H+](C1CC1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001202512624 983837376 /nfs/dbraw/zinc/83/73/76/983837376.db2.gz GBWNAVGPZRBEMZ-LBPRGKRZSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CCC[NH2+]C1)c1ccsc1 ZINC001573571118 984035008 /nfs/dbraw/zinc/03/50/08/984035008.db2.gz FHGWQBMZCNAUHB-JQWIXIFHSA-N 2 1 240.372 1.513 20 0 BDADMP CN1CCC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001202597819 984105802 /nfs/dbraw/zinc/10/58/02/984105802.db2.gz GOJDVIFBKIOUSD-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC001253384342 984138866 /nfs/dbraw/zinc/13/88/66/984138866.db2.gz PIQPMCPYFPDDAO-ZDUSSCGKSA-N 2 1 236.359 1.525 20 0 BDADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576273301 984165581 /nfs/dbraw/zinc/16/55/81/984165581.db2.gz UFZOJLQEOBDFLQ-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP CC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CNC1 ZINC001576545065 984174508 /nfs/dbraw/zinc/17/45/08/984174508.db2.gz DGOARCQCHSPHNY-UHFFFAOYSA-N 2 1 246.358 1.002 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC([NH3+])CC3)[C@@H]2C1 ZINC001578520743 984214407 /nfs/dbraw/zinc/21/44/07/984214407.db2.gz GEPUEUARRLXNOD-MGYRSQIZSA-N 3 1 237.391 1.186 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC([NH3+])CC3)[C@H]2C1 ZINC001578520742 984216596 /nfs/dbraw/zinc/21/65/96/984216596.db2.gz GEPUEUARRLXNOD-FDZXDKCCSA-N 3 1 237.391 1.186 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001578954552 984233172 /nfs/dbraw/zinc/23/31/72/984233172.db2.gz ACSSCKUCKPQTSQ-MRVPVSSYSA-N 2 1 242.285 1.528 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001579002774 984247536 /nfs/dbraw/zinc/24/75/36/984247536.db2.gz UEOYHPVDAXNNPO-ZIAGYGMSSA-N 2 1 249.358 1.486 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000691400524 984315570 /nfs/dbraw/zinc/31/55/70/984315570.db2.gz RVROMTDZAWNELW-XYJRDEOASA-N 2 1 224.348 1.284 20 0 BDADMP COCCC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001274937309 984407458 /nfs/dbraw/zinc/40/74/58/984407458.db2.gz SBCCSJANSWKFSQ-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP CC[N@@H+](CCc1ccccc1)C[C@]1(O)CC[NH2+]C1 ZINC001577728752 984699946 /nfs/dbraw/zinc/69/99/46/984699946.db2.gz OFTCHWMFXHVUNT-HNNXBMFYSA-N 2 1 248.370 1.275 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc[nH]1)CC2 ZINC001275853902 984703870 /nfs/dbraw/zinc/70/38/70/984703870.db2.gz WVYZZRLGSCBEJJ-UHFFFAOYSA-N 2 1 233.359 1.932 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](F)[C@H](N)C2)CC1 ZINC001577763526 984722845 /nfs/dbraw/zinc/72/28/45/984722845.db2.gz DKVXYPAMODBSCA-CHWSQXEVSA-N 2 1 243.370 1.089 20 0 BDADMP CC[NH+]1CCC(CN2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001577763526 984722892 /nfs/dbraw/zinc/72/28/92/984722892.db2.gz DKVXYPAMODBSCA-CHWSQXEVSA-N 2 1 243.370 1.089 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCC[NH2+]C)CC1 ZINC001577764053 984731289 /nfs/dbraw/zinc/73/12/89/984731289.db2.gz PJPLXNOZQGIBOF-UHFFFAOYSA-N 3 1 227.396 1.260 20 0 BDADMP C[N@H+]1CCC12CN(CCC[NH+]1CCCCC1)C2 ZINC001276047413 984808188 /nfs/dbraw/zinc/80/81/88/984808188.db2.gz OZUYFSWWHGLDNQ-UHFFFAOYSA-N 2 1 237.391 1.252 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnco3)C[C@H]2CC1 ZINC001276158789 984822541 /nfs/dbraw/zinc/82/25/41/984822541.db2.gz VFJIPOAAZIPIJN-TXEJJXNPSA-N 2 1 235.331 1.448 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnco3)C[C@H]2CC1 ZINC001276158789 984822543 /nfs/dbraw/zinc/82/25/43/984822543.db2.gz VFJIPOAAZIPIJN-TXEJJXNPSA-N 2 1 235.331 1.448 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cnco3)C[C@H]2CC1 ZINC001276158789 984822545 /nfs/dbraw/zinc/82/25/45/984822545.db2.gz VFJIPOAAZIPIJN-TXEJJXNPSA-N 2 1 235.331 1.448 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc[nH]3)C[C@H]2CC1 ZINC001276203656 984826943 /nfs/dbraw/zinc/82/69/43/984826943.db2.gz YSOFDMPJQTXDTN-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc[nH]3)C[C@H]2CC1 ZINC001276203656 984826950 /nfs/dbraw/zinc/82/69/50/984826950.db2.gz YSOFDMPJQTXDTN-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cnc[nH]3)C[C@H]2CC1 ZINC001276203656 984826951 /nfs/dbraw/zinc/82/69/51/984826951.db2.gz YSOFDMPJQTXDTN-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](Cc3c[nH]cn3)C[C@H]2CC1 ZINC001276203656 984826952 /nfs/dbraw/zinc/82/69/52/984826952.db2.gz YSOFDMPJQTXDTN-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c[nH]cn3)C[C@H]2CC1 ZINC001276203656 984826955 /nfs/dbraw/zinc/82/69/55/984826955.db2.gz YSOFDMPJQTXDTN-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c[nH]cn3)C[C@H]2CC1 ZINC001276203656 984826959 /nfs/dbraw/zinc/82/69/59/984826959.db2.gz YSOFDMPJQTXDTN-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c[nH]cn3)C[C@H]2CC1 ZINC001276203656 984826968 /nfs/dbraw/zinc/82/69/68/984826968.db2.gz YSOFDMPJQTXDTN-TXEJJXNPSA-N 2 1 234.347 1.183 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C[NH3+])C1CC1)C1CC1 ZINC001578075192 984838995 /nfs/dbraw/zinc/83/89/95/984838995.db2.gz GNFCSOHAPFGVOR-VXGBXAGGSA-N 2 1 212.337 1.128 20 0 BDADMP C[N@H+]1CCCC2(CC[NH+](Cc3cnoc3)CC2)C1 ZINC001276249732 984833966 /nfs/dbraw/zinc/83/39/66/984833966.db2.gz ABTIYYGGZGJKPN-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP Cn1nccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276281768 984841211 /nfs/dbraw/zinc/84/12/11/984841211.db2.gz TZFRTOYTOGVOBR-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP CCOC1CC([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001578095581 984847495 /nfs/dbraw/zinc/84/74/95/984847495.db2.gz YGZGKXMHNOOHNM-AMFGXWJMSA-N 2 1 210.321 1.036 20 0 BDADMP CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001578098301 984847636 /nfs/dbraw/zinc/84/76/36/984847636.db2.gz WFGUPGIHSDILRJ-FRRDWIJNSA-N 2 1 226.364 1.676 20 0 BDADMP CCC(CC)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257289988 984870055 /nfs/dbraw/zinc/87/00/55/984870055.db2.gz JHZFHSSCPFJBGY-UHFFFAOYSA-N 3 1 229.412 1.778 20 0 BDADMP CCC(CC)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257289988 984870058 /nfs/dbraw/zinc/87/00/58/984870058.db2.gz JHZFHSSCPFJBGY-UHFFFAOYSA-N 3 1 229.412 1.778 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001578229142 984880939 /nfs/dbraw/zinc/88/09/39/984880939.db2.gz WCJRTHHRPRYJMP-YIZRAAEISA-N 2 1 240.269 1.423 20 0 BDADMP CCc1ccccc1C[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001578277235 984920795 /nfs/dbraw/zinc/92/07/95/984920795.db2.gz QWKRHHWNRMIRDA-CQSZACIVSA-N 2 1 234.343 1.063 20 0 BDADMP CCc1ccccc1C[N@H+](C)C[C@@H](O)C[NH2+]C ZINC001578275239 984927400 /nfs/dbraw/zinc/92/74/00/984927400.db2.gz FPBYMZWDGONVTL-AWEZNQCLSA-N 2 1 236.359 1.261 20 0 BDADMP CCc1ccccc1C[N@@H+](C)C[C@@H](O)C[NH2+]C ZINC001578275239 984927409 /nfs/dbraw/zinc/92/74/09/984927409.db2.gz FPBYMZWDGONVTL-AWEZNQCLSA-N 2 1 236.359 1.261 20 0 BDADMP C[N@@H+](CCCCCn1cccn1)CC(C)(C)[NH3+] ZINC001578465796 985098290 /nfs/dbraw/zinc/09/82/90/985098290.db2.gz OSNWORUSZFIDPO-UHFFFAOYSA-N 2 1 238.379 1.723 20 0 BDADMP C[N@@H+](CCCc1ccncc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578469088 985098608 /nfs/dbraw/zinc/09/86/08/985098608.db2.gz ZMZSMVAOYDBKSW-WDNDVIMCSA-N 2 1 231.343 1.164 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](NCC3(C[NH3+])CCC3)[C@H]2C1 ZINC001578521564 985142867 /nfs/dbraw/zinc/14/28/67/985142867.db2.gz XCMIMKYHJFBELL-RWMBFGLXSA-N 2 1 237.391 1.045 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3(C[NH3+])CCC3)[C@H]2C1 ZINC001578521564 985142888 /nfs/dbraw/zinc/14/28/88/985142888.db2.gz XCMIMKYHJFBELL-RWMBFGLXSA-N 3 1 237.391 1.045 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC3(C[NH3+])CCC3)[C@H]2C1 ZINC001578521564 985142896 /nfs/dbraw/zinc/14/28/96/985142896.db2.gz XCMIMKYHJFBELL-RWMBFGLXSA-N 3 1 237.391 1.045 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](NCC3(C[NH3+])CCC3)[C@H]2C1 ZINC001578521563 985143507 /nfs/dbraw/zinc/14/35/07/985143507.db2.gz XCMIMKYHJFBELL-AVGNSLFASA-N 2 1 237.391 1.045 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]CC3(C[NH3+])CCC3)[C@H]2C1 ZINC001578521563 985143508 /nfs/dbraw/zinc/14/35/08/985143508.db2.gz XCMIMKYHJFBELL-AVGNSLFASA-N 3 1 237.391 1.045 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC3(C[NH3+])CCC3)[C@H]2C1 ZINC001578521563 985143511 /nfs/dbraw/zinc/14/35/11/985143511.db2.gz XCMIMKYHJFBELL-AVGNSLFASA-N 3 1 237.391 1.045 20 0 BDADMP C[NH+](C)C1(C(=O)Nc2ccc3c[nH+]cn3c2)CC1 ZINC001456439798 985145559 /nfs/dbraw/zinc/14/55/59/985145559.db2.gz BJVBDQAYEFSVHA-UHFFFAOYSA-N 2 1 244.298 1.367 20 0 BDADMP C[NH+]1CCC(CN[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001578525063 985149561 /nfs/dbraw/zinc/14/95/61/985149561.db2.gz NPBOJLHRMMYNKA-KBPBESRZSA-N 2 1 237.391 1.060 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001578524478 985149675 /nfs/dbraw/zinc/14/96/75/985149675.db2.gz XCNWFGHCTRXIDI-ZIAGYGMSSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(CN2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001578524478 985149681 /nfs/dbraw/zinc/14/96/81/985149681.db2.gz XCNWFGHCTRXIDI-ZIAGYGMSSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)CC1 ZINC001578524478 985149695 /nfs/dbraw/zinc/14/96/95/985149695.db2.gz XCNWFGHCTRXIDI-ZIAGYGMSSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)CC1 ZINC001578524478 985149706 /nfs/dbraw/zinc/14/97/06/985149706.db2.gz XCNWFGHCTRXIDI-ZIAGYGMSSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC001578622344 985234603 /nfs/dbraw/zinc/23/46/03/985234603.db2.gz SCGWUHOIHVAJQI-WCQYABFASA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC001578652175 985258550 /nfs/dbraw/zinc/25/85/50/985258550.db2.gz FWYVCEYMVVEWSW-AVGNSLFASA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](CCC1CC1)CC1CC1 ZINC001578652642 985263462 /nfs/dbraw/zinc/26/34/62/985263462.db2.gz LOXGITLFKUXOBX-ZDUSSCGKSA-N 2 1 226.364 1.079 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)CCC1CCCCCC1 ZINC001578652993 985266163 /nfs/dbraw/zinc/26/61/63/985266163.db2.gz SAEMDUTXOBKXOB-AWEZNQCLSA-N 2 1 242.407 1.859 20 0 BDADMP COC(=O)CC(C)(C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001578802506 985368545 /nfs/dbraw/zinc/36/85/45/985368545.db2.gz SSWJZZGHKMHXBE-MNOVXSKESA-N 2 1 242.363 1.115 20 0 BDADMP COC(=O)C[C@@](C)([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 ZINC001578801456 985371856 /nfs/dbraw/zinc/37/18/56/985371856.db2.gz MDWOGEXNDFOXQV-DGCLKSJQSA-N 2 1 240.347 1.060 20 0 BDADMP O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000687820163 985396597 /nfs/dbraw/zinc/39/65/97/985396597.db2.gz YWXJGZNDCVABDB-KBPBESRZSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000687820163 985396610 /nfs/dbraw/zinc/39/66/10/985396610.db2.gz YWXJGZNDCVABDB-KBPBESRZSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000687820163 985396622 /nfs/dbraw/zinc/39/66/22/985396622.db2.gz YWXJGZNDCVABDB-KBPBESRZSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@H](CN1CCCC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000687820164 985398257 /nfs/dbraw/zinc/39/82/57/985398257.db2.gz YWXJGZNDCVABDB-KGLIPLIRSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000687820164 985398270 /nfs/dbraw/zinc/39/82/70/985398270.db2.gz YWXJGZNDCVABDB-KGLIPLIRSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000687820164 985398280 /nfs/dbraw/zinc/39/82/80/985398280.db2.gz YWXJGZNDCVABDB-KGLIPLIRSA-N 2 1 238.375 1.318 20 0 BDADMP COC(=O)c1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cs1 ZINC001578854721 985433555 /nfs/dbraw/zinc/43/35/55/985433555.db2.gz LCIKHLLVIIBLHC-KYZUINATSA-N 2 1 240.328 1.114 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000688025354 985500145 /nfs/dbraw/zinc/50/01/45/985500145.db2.gz ZWROZBWFVYLBBQ-JQWIXIFHSA-N 2 1 212.337 1.095 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000688030319 985507280 /nfs/dbraw/zinc/50/72/80/985507280.db2.gz QXDIHBQLQROKGR-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP COC1(C[NH2+][C@H](C)C[NH3+])CCCCCC1 ZINC001578930168 985536788 /nfs/dbraw/zinc/53/67/88/985536788.db2.gz PKHUEYYCAMNKQQ-LLVKDONJSA-N 2 1 214.353 1.663 20 0 BDADMP CO[C@@H](C[NH2+][C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC001578912350 985512337 /nfs/dbraw/zinc/51/23/37/985512337.db2.gz CZZUMRREQWLNDS-AVGNSLFASA-N 2 1 224.348 1.143 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001459524360 985515843 /nfs/dbraw/zinc/51/58/43/985515843.db2.gz CNLGMUNGMLZULD-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000688046309 985522636 /nfs/dbraw/zinc/52/26/36/985522636.db2.gz BEPMYGLSYCJRJD-MDZLAQPJSA-N 2 1 224.348 1.095 20 0 BDADMP COC1(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])CCC1 ZINC001578926744 985524586 /nfs/dbraw/zinc/52/45/86/985524586.db2.gz MTWYQJCAQXAXQU-DGCLKSJQSA-N 2 1 224.348 1.369 20 0 BDADMP COC1(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])CCC1 ZINC001578926744 985524599 /nfs/dbraw/zinc/52/45/99/985524599.db2.gz MTWYQJCAQXAXQU-DGCLKSJQSA-N 2 1 224.348 1.369 20 0 BDADMP COC1(CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578927369 985534543 /nfs/dbraw/zinc/53/45/43/985534543.db2.gz WLGKMBLFPBHXOW-TZMCWYRMSA-N 2 1 238.375 1.759 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC001578940271 985550868 /nfs/dbraw/zinc/55/08/68/985550868.db2.gz CZNOSDPGWRPKSF-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP COC[C@@](C)(CO)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC001578953959 985566009 /nfs/dbraw/zinc/56/60/09/985566009.db2.gz CCNPMPWUDXUJLO-WCQYABFASA-N 2 1 246.395 1.127 20 0 BDADMP Cc1ccc(/C=C/C2CC[NH2+]CC2)[nH+]c1N ZINC001243893946 985568559 /nfs/dbraw/zinc/56/85/59/985568559.db2.gz WSNMVQHBYRNHHK-HWKANZROSA-N 2 1 217.316 1.985 20 0 BDADMP COCC[C@H]([NH3+])C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001579000026 985646509 /nfs/dbraw/zinc/64/65/09/985646509.db2.gz NCZCENCHHOATNN-DZGCQCFKSA-N 2 1 248.370 1.970 20 0 BDADMP COCC[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001579000026 985646524 /nfs/dbraw/zinc/64/65/24/985646524.db2.gz NCZCENCHHOATNN-DZGCQCFKSA-N 2 1 248.370 1.970 20 0 BDADMP COCCc1cc[nH+]c(NC[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC001579067649 985692136 /nfs/dbraw/zinc/69/21/36/985692136.db2.gz LMISGNWJUDFHKX-OCCSQVGLSA-N 2 1 247.342 1.292 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC001579130602 985808154 /nfs/dbraw/zinc/80/81/54/985808154.db2.gz WUZRTXGVFBVETD-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@@H]3C[C@@H]32)c1C ZINC001579135132 985811031 /nfs/dbraw/zinc/81/10/31/985811031.db2.gz ZLLKCYPVFAQWON-YPMHNXCESA-N 2 1 247.342 1.253 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)CCC(=O)OC)CC1 ZINC001258349747 985829117 /nfs/dbraw/zinc/82/91/17/985829117.db2.gz ZWHOUEPYXAAXKH-LLVKDONJSA-N 2 1 242.363 1.402 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001258355901 985835731 /nfs/dbraw/zinc/83/57/31/985835731.db2.gz LRXDFKYNJPPJNG-NEPJUHHUSA-N 2 1 242.363 1.402 20 0 BDADMP COc1ccnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001579317372 985836614 /nfs/dbraw/zinc/83/66/14/985836614.db2.gz RXWVLGJDSIKAIR-GHMZBOCLSA-N 2 1 235.331 1.117 20 0 BDADMP COc1ccnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001579317372 985836620 /nfs/dbraw/zinc/83/66/20/985836620.db2.gz RXWVLGJDSIKAIR-GHMZBOCLSA-N 2 1 235.331 1.117 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC001579454734 985950803 /nfs/dbraw/zinc/95/08/03/985950803.db2.gz YPIBYDKTLPEJMB-DYEKYZERSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](CCc1cscn1)C2 ZINC001579474076 985985148 /nfs/dbraw/zinc/98/51/48/985985148.db2.gz XCZJTHLIEIUHHN-PWSUYJOCSA-N 2 1 237.372 1.227 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CCc1cscn1)C2 ZINC001579474076 985985172 /nfs/dbraw/zinc/98/51/72/985985172.db2.gz XCZJTHLIEIUHHN-PWSUYJOCSA-N 2 1 237.372 1.227 20 0 BDADMP C[C@@]12CSC[C@@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC001579475875 985988633 /nfs/dbraw/zinc/98/86/33/985988633.db2.gz YQALWISWEHHEIS-NNYUYHANSA-N 2 1 226.389 1.409 20 0 BDADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ncccn1)CC2 ZINC001276335164 986028315 /nfs/dbraw/zinc/02/83/15/986028315.db2.gz YEKSZHUQUVYBOE-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ncccn1)CC2 ZINC001276335164 986028332 /nfs/dbraw/zinc/02/83/32/986028332.db2.gz YEKSZHUQUVYBOE-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP Cc1c(C[N@@H+](C)C[C@H]2CC[C@@H]([NH3+])C2)cnn1C ZINC001579531615 986066571 /nfs/dbraw/zinc/06/65/71/986066571.db2.gz XNXXXRLKEHPJON-WCQYABFASA-N 2 1 236.363 1.288 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)C)[C@@H](C)C1 ZINC000305135517 986080946 /nfs/dbraw/zinc/08/09/46/986080946.db2.gz OJWDJLQDNIQFOR-IHRRRGAJSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])cc(C)n1 ZINC001579592578 986105034 /nfs/dbraw/zinc/10/50/34/986105034.db2.gz GOMPSUMXVORJCC-UHFFFAOYSA-N 2 1 237.347 1.106 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)n1 ZINC001579598324 986110787 /nfs/dbraw/zinc/11/07/87/986110787.db2.gz POKGBXKVBMBODF-AWEZNQCLSA-N 2 1 233.359 1.869 20 0 BDADMP CC[C@H](C)C[C@H](CC)[N@H+](CC[NH3+])CCO ZINC001258778868 986167687 /nfs/dbraw/zinc/16/76/87/986167687.db2.gz MUBFVERDSLZQSC-RYUDHWBXSA-N 2 1 216.369 1.454 20 0 BDADMP CC[C@H](C)C[C@H](CC)[N@@H+](CC[NH3+])CCO ZINC001258778868 986167712 /nfs/dbraw/zinc/16/77/12/986167712.db2.gz MUBFVERDSLZQSC-RYUDHWBXSA-N 2 1 216.369 1.454 20 0 BDADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]2)cc1 ZINC001579684934 986179056 /nfs/dbraw/zinc/17/90/56/986179056.db2.gz ZDEAPVVXPLMKQB-JSGCOSHPSA-N 2 1 218.344 1.878 20 0 BDADMP Cc1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC001579690637 986184992 /nfs/dbraw/zinc/18/49/92/986184992.db2.gz NYNMSPPWRLOKFB-FICVDOATSA-N 2 1 230.355 1.953 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC001579690637 986185026 /nfs/dbraw/zinc/18/50/26/986185026.db2.gz NYNMSPPWRLOKFB-FICVDOATSA-N 2 1 230.355 1.953 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1C ZINC001461832192 986196095 /nfs/dbraw/zinc/19/60/95/986196095.db2.gz VITPJPJLMMFDCT-YNEHKIRRSA-N 2 1 248.374 1.456 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC001461832192 986196114 /nfs/dbraw/zinc/19/61/14/986196114.db2.gz VITPJPJLMMFDCT-YNEHKIRRSA-N 2 1 248.374 1.456 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCOC[C@H]2C)CC1 ZINC001461865601 986201294 /nfs/dbraw/zinc/20/12/94/986201294.db2.gz FJIMISSKOXMJCE-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1cccc(C2([NH2+]CC[NH3+])CCC2)c1 ZINC001579756567 986207039 /nfs/dbraw/zinc/20/70/39/986207039.db2.gz JMTHEOSFLYMPRJ-UHFFFAOYSA-N 2 1 204.317 1.923 20 0 BDADMP Cc1ccnc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC001579812065 986230966 /nfs/dbraw/zinc/23/09/66/986230966.db2.gz WTLBANWNZWLQAA-CQSZACIVSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1nnc([C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)[nH]1 ZINC001579837656 986261931 /nfs/dbraw/zinc/26/19/31/986261931.db2.gz QDJSPIQYWCLVOX-SECBINFHSA-N 2 1 237.351 1.106 20 0 BDADMP Cc1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC001579849343 986270788 /nfs/dbraw/zinc/27/07/88/986270788.db2.gz OWYUYALIYKFPIR-KCJUWKMLSA-N 2 1 223.320 1.237 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC001579878743 986297918 /nfs/dbraw/zinc/29/79/18/986297918.db2.gz XBSDMRXIUPBFGC-KBPBESRZSA-N 2 1 246.358 1.346 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC001579878743 986297932 /nfs/dbraw/zinc/29/79/32/986297932.db2.gz XBSDMRXIUPBFGC-KBPBESRZSA-N 2 1 246.358 1.346 20 0 BDADMP Cc1ncoc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001579887734 986304620 /nfs/dbraw/zinc/30/46/20/986304620.db2.gz HWJVKEYHXIYEDH-PSASIEDQSA-N 2 1 209.293 1.010 20 0 BDADMP OCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000710016899 986359426 /nfs/dbraw/zinc/35/94/26/986359426.db2.gz RYXPOKAHJMEMNM-CYBMUJFWSA-N 2 1 226.364 1.225 20 0 BDADMP COCC[C@@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC001462345800 986360046 /nfs/dbraw/zinc/36/00/46/986360046.db2.gz DRCHVURDPBSLMY-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001462671032 986491907 /nfs/dbraw/zinc/49/19/07/986491907.db2.gz QHUVCKWZPVOITE-UVLXDEKHSA-N 2 1 249.358 1.535 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@H]2C1 ZINC001462664464 986498145 /nfs/dbraw/zinc/49/81/45/986498145.db2.gz GZEKPKDCDZDXNE-CYDGBPFRSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)[nH]n1 ZINC001261298114 986510780 /nfs/dbraw/zinc/51/07/80/986510780.db2.gz ADMYRQRAWKNCMX-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP [NH3+]C1(CC[N@H+]2CC[C@H]2C2CC2)CCOCC1 ZINC001580143952 986613103 /nfs/dbraw/zinc/61/31/03/986613103.db2.gz HQLFMCHIXCWJEE-LBPRGKRZSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3nsnc32)CC1 ZINC001580152713 986625084 /nfs/dbraw/zinc/62/50/84/986625084.db2.gz QBCKNWYNOVIIAJ-UHFFFAOYSA-N 2 1 234.328 1.272 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCCO1 ZINC001254516534 986657252 /nfs/dbraw/zinc/65/72/52/986657252.db2.gz NVKAWFHICJKMJO-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCCO1 ZINC001254516534 986657260 /nfs/dbraw/zinc/65/72/60/986657260.db2.gz NVKAWFHICJKMJO-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCCO1 ZINC001254516534 986657274 /nfs/dbraw/zinc/65/72/74/986657274.db2.gz NVKAWFHICJKMJO-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001254527550 986673037 /nfs/dbraw/zinc/67/30/37/986673037.db2.gz ZRKJEXCYPTZQFI-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001254527550 986673046 /nfs/dbraw/zinc/67/30/46/986673046.db2.gz ZRKJEXCYPTZQFI-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001254527550 986673057 /nfs/dbraw/zinc/67/30/57/986673057.db2.gz ZRKJEXCYPTZQFI-ZIAGYGMSSA-N 2 1 238.375 1.726 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)C1CCCC1 ZINC001580229710 986679261 /nfs/dbraw/zinc/67/92/61/986679261.db2.gz SLWZAROYVVWNBE-MROQNXINSA-N 2 1 224.348 1.128 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CC2(O)CCCCCC2)C1 ZINC001580265777 986720345 /nfs/dbraw/zinc/72/03/45/986720345.db2.gz QPKBBQGEZPVGKF-GFCCVEGCSA-N 2 1 226.364 1.352 20 0 BDADMP Nc1ncccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC001580286483 986731565 /nfs/dbraw/zinc/73/15/65/986731565.db2.gz FZYVSWWGXQKMPJ-GFCCVEGCSA-N 2 1 234.347 1.367 20 0 BDADMP COCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000381623127 986740515 /nfs/dbraw/zinc/74/05/15/986740515.db2.gz FVSITYROHQWBOQ-UHFFFAOYSA-N 2 1 212.337 1.098 20 0 BDADMP C[N@H+]1CC[C@@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001255437689 986959006 /nfs/dbraw/zinc/95/90/06/986959006.db2.gz DOYASAGMJSTNHG-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP CN1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001255469891 986974184 /nfs/dbraw/zinc/97/41/84/986974184.db2.gz GITYFWLHGHXPEM-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC([NH+]3CCCCC3)C2)C1 ZINC001255488825 986988451 /nfs/dbraw/zinc/98/84/51/986988451.db2.gz HURLNGOEERCVEY-ZDUSSCGKSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CN(C)C1 ZINC001255942626 987078242 /nfs/dbraw/zinc/07/82/42/987078242.db2.gz GRZJLIHNRTUIJZ-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001245987866 987271453 /nfs/dbraw/zinc/27/14/53/987271453.db2.gz CRNFKFYBOMTYSO-QWRGUYRKSA-N 2 1 214.353 1.125 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016552 987302547 /nfs/dbraw/zinc/30/25/47/987302547.db2.gz LZVRSJDHEDJVEH-GHMZBOCLSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246023084 987313627 /nfs/dbraw/zinc/31/36/27/987313627.db2.gz RZTWDFNUDABOGW-YPMHNXCESA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246025324 987318707 /nfs/dbraw/zinc/31/87/07/987318707.db2.gz WOTQCFZVVNSYQR-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246025923 987319238 /nfs/dbraw/zinc/31/92/38/987319238.db2.gz YHIQSBVKTVPORE-YPMHNXCESA-N 2 1 246.370 1.546 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246024431 987319738 /nfs/dbraw/zinc/31/97/38/987319738.db2.gz VRLLHPBILBQEMA-IHRRRGAJSA-N 2 1 242.407 1.844 20 0 BDADMP CC(C)[C@@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246036884 987335099 /nfs/dbraw/zinc/33/50/99/987335099.db2.gz VIYVFZNXBIANIX-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246036884 987335102 /nfs/dbraw/zinc/33/51/02/987335102.db2.gz VIYVFZNXBIANIX-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP CCC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246050275 987346478 /nfs/dbraw/zinc/34/64/78/987346478.db2.gz FLOCLDWYXQCMAI-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP COCC[N@@H+](CCF)CCCC1CC[NH2+]CC1 ZINC000697278729 987351780 /nfs/dbraw/zinc/35/17/80/987351780.db2.gz ZACATEONTDTGKK-UHFFFAOYSA-N 2 1 246.370 1.684 20 0 BDADMP C1=C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000698176362 987368382 /nfs/dbraw/zinc/36/83/82/987368382.db2.gz NHJZQWANWPHKDP-MCDVFOBDSA-N 2 1 204.317 1.291 20 0 BDADMP C[NH+](C)C1CCC([NH2+]CC2(N)CCCC2)CC1 ZINC001246077430 987369012 /nfs/dbraw/zinc/36/90/12/987369012.db2.gz WMVOASLBYSNSKH-UHFFFAOYSA-N 2 1 239.407 1.720 20 0 BDADMP Cc1cncc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246080710 987376003 /nfs/dbraw/zinc/37/60/03/987376003.db2.gz JLOJKRIMEIPFMY-UHFFFAOYSA-N 2 1 205.305 1.232 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246096848 987408203 /nfs/dbraw/zinc/40/82/03/987408203.db2.gz NAYSBABUHDRKKL-YVECIDJPSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246096463 987410276 /nfs/dbraw/zinc/41/02/76/987410276.db2.gz UYUOYSUTTDQCHU-FRRDWIJNSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246098958 987412870 /nfs/dbraw/zinc/41/28/70/987412870.db2.gz UITAIAHHXPXBFE-SYCZCVCYSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246098959 987415710 /nfs/dbraw/zinc/41/57/10/987415710.db2.gz UITAIAHHXPXBFE-YIPFDTCYSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246102028 987422431 /nfs/dbraw/zinc/42/24/31/987422431.db2.gz WFAVTJRNHMMIJB-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246102028 987422435 /nfs/dbraw/zinc/42/24/35/987422435.db2.gz WFAVTJRNHMMIJB-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246102028 987422438 /nfs/dbraw/zinc/42/24/38/987422438.db2.gz WFAVTJRNHMMIJB-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246109881 987442381 /nfs/dbraw/zinc/44/23/81/987442381.db2.gz KUGJMOSOCFZQHD-CHWFTXMASA-N 2 1 200.301 1.607 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246116816 987457586 /nfs/dbraw/zinc/45/75/86/987457586.db2.gz XENNVWKZDNDHJP-JHJVBQTASA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246116814 987461181 /nfs/dbraw/zinc/46/11/81/987461181.db2.gz XENNVWKZDNDHJP-AGIUHOORSA-N 3 1 239.407 1.352 20 0 BDADMP C1CC2(C[C@H]1[NH2+][C@@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001246125680 987474149 /nfs/dbraw/zinc/47/41/49/987474149.db2.gz FNZKQUBYDRFDOL-QWHCGFSZSA-N 3 1 237.391 1.250 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246129603 987479573 /nfs/dbraw/zinc/47/95/73/987479573.db2.gz GFHAUDMMXKBOFW-TUAOUCFPSA-N 2 1 224.348 1.286 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246134591 987490066 /nfs/dbraw/zinc/49/00/66/987490066.db2.gz NUDOHTPFSHYQBS-ODXJTPSBSA-N 2 1 240.391 1.778 20 0 BDADMP O=C1C[C@@H]2CC([NH2+][C@H]3C[NH2+]CC34CC4)C[C@H]2C1 ZINC001246134578 987490299 /nfs/dbraw/zinc/49/02/99/987490299.db2.gz RHVOCMOJJMLSLI-KWBADKCTSA-N 2 1 234.343 1.086 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C[C@H](C)O1 ZINC001246136932 987491841 /nfs/dbraw/zinc/49/18/41/987491841.db2.gz YRPYXBKXWFSDPS-WRWGMCAJSA-N 2 1 224.348 1.284 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246136889 987493449 /nfs/dbraw/zinc/49/34/49/987493449.db2.gz YNEJVTXHGBRWDQ-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246147996 987506158 /nfs/dbraw/zinc/50/61/58/987506158.db2.gz NPWGDBBOQXXEQB-ZUWCUPBKSA-N 3 1 237.391 1.105 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246167687 987528989 /nfs/dbraw/zinc/52/89/89/987528989.db2.gz AAGQOAZFHXYROR-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC(=O)C(C)(C)C)CC[NH2+]1 ZINC001246175990 987544471 /nfs/dbraw/zinc/54/44/71/987544471.db2.gz ONOACEWRNRUPHY-VHSXEESVSA-N 2 1 212.337 1.332 20 0 BDADMP C[C@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC001246184456 987560439 /nfs/dbraw/zinc/56/04/39/987560439.db2.gz LSBJOBJPPKAVQR-VJTDZRGJSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CC[NH2+]1 ZINC001246184358 987561742 /nfs/dbraw/zinc/56/17/42/987561742.db2.gz KGDRZMQFEPZSRL-ZWNOBZJWSA-N 2 1 247.342 1.016 20 0 BDADMP CCOC(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187505 987565408 /nfs/dbraw/zinc/56/54/08/987565408.db2.gz PANILMMZPVHMLZ-GHMZBOCLSA-N 2 1 228.336 1.060 20 0 BDADMP CCOC(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187506 987566726 /nfs/dbraw/zinc/56/67/26/987566726.db2.gz PANILMMZPVHMLZ-WDEREUQCSA-N 2 1 228.336 1.060 20 0 BDADMP C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC001246186237 987567229 /nfs/dbraw/zinc/56/72/29/987567229.db2.gz GPUISYGIJRZHJR-MJBXVCDLSA-N 2 1 237.391 1.250 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC001246206437 987604099 /nfs/dbraw/zinc/60/40/99/987604099.db2.gz OZIIYFKESFVPLC-XGFWRYKXSA-N 3 1 237.391 1.471 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC001246206437 987604100 /nfs/dbraw/zinc/60/41/00/987604100.db2.gz OZIIYFKESFVPLC-XGFWRYKXSA-N 3 1 237.391 1.471 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC001246206437 987604108 /nfs/dbraw/zinc/60/41/08/987604108.db2.gz OZIIYFKESFVPLC-XGFWRYKXSA-N 3 1 237.391 1.471 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[NH2+]1 ZINC001246216528 987612708 /nfs/dbraw/zinc/61/27/08/987612708.db2.gz AXNKQBXHMSTVSR-FDYHWXHSSA-N 2 1 226.364 1.268 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246228193 987626967 /nfs/dbraw/zinc/62/69/67/987626967.db2.gz VKOXWZOJDPXKEM-MCIONIFRSA-N 3 1 237.391 1.250 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246238900 987638326 /nfs/dbraw/zinc/63/83/26/987638326.db2.gz AUZGGSPBMHJYJH-RDBSUJKOSA-N 3 1 239.407 1.639 20 0 BDADMP C[C@@H]1CC([NH2+]CC[C@@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC001246241973 987644738 /nfs/dbraw/zinc/64/47/38/987644738.db2.gz DHRPWRDOVPYMNW-UPJWGTAASA-N 3 1 239.407 1.637 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC001246254618 987653991 /nfs/dbraw/zinc/65/39/91/987653991.db2.gz ZGABNNYBIKRNHQ-AAEUAGOBSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccs2)CC[NH2+]1 ZINC001246257754 987654968 /nfs/dbraw/zinc/65/49/68/987654968.db2.gz IUEQTFQAMHOSAA-OUAUKWLOSA-N 2 1 240.372 1.512 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303317 987680957 /nfs/dbraw/zinc/68/09/57/987680957.db2.gz XGCRAMOHIMRFSL-XQQFMLRXSA-N 2 1 247.342 1.217 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246299888 987693638 /nfs/dbraw/zinc/69/36/38/987693638.db2.gz NYUMIRFWWJJTCF-IGQOVBAYSA-N 2 1 242.407 1.617 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246298472 987694919 /nfs/dbraw/zinc/69/49/19/987694919.db2.gz BLNWAFJXNAGKFK-QNWHQSFQSA-N 2 1 228.380 1.371 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246301680 987698509 /nfs/dbraw/zinc/69/85/09/987698509.db2.gz UVSQUMQTHALNTE-RVMXOQNASA-N 3 1 227.396 1.623 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306656 987706148 /nfs/dbraw/zinc/70/61/48/987706148.db2.gz RHFBROUPAIWLTA-NDBYEHHHSA-N 3 1 227.396 1.623 20 0 BDADMP CCOC(=O)C(C)(C)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246316873 987721056 /nfs/dbraw/zinc/72/10/56/987721056.db2.gz OKHZQKGUODUFFZ-QWRGUYRKSA-N 2 1 242.363 1.306 20 0 BDADMP C[NH2+]Cc1cccc(CN[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246324365 987732553 /nfs/dbraw/zinc/73/25/53/987732553.db2.gz NLFOGDRNPKHDOZ-WFASDCNBSA-N 2 1 247.386 1.636 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])CC[NH2+]1 ZINC001246327381 987732869 /nfs/dbraw/zinc/73/28/69/987732869.db2.gz NCVGNSLBSUWUBG-UPJWGTAASA-N 3 1 227.396 1.482 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2Oc3ccccc3O2)CC[NH2+]1 ZINC001246328143 987735097 /nfs/dbraw/zinc/73/50/97/987735097.db2.gz XEGPYQKDQSMDLX-WDEREUQCSA-N 2 1 248.326 1.514 20 0 BDADMP CC(=O)NCCCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246337619 987745887 /nfs/dbraw/zinc/74/58/87/987745887.db2.gz WUSOIHVNMOCRND-AAEUAGOBSA-N 2 1 241.379 1.023 20 0 BDADMP FC1(F)CC[NH+](CCN[C@H]2CCC[NH2+]C2)CC1 ZINC001246339308 987748803 /nfs/dbraw/zinc/74/88/03/987748803.db2.gz DTUISEOBOWBVHR-NSHDSACASA-N 2 1 247.333 1.059 20 0 BDADMP CC(C)(C)C[N@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246361626 987767775 /nfs/dbraw/zinc/76/77/75/987767775.db2.gz MBRYMECTZRBCBT-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)COCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246358870 987768096 /nfs/dbraw/zinc/76/80/96/987768096.db2.gz QQRZALPDNJQKPC-CHWSQXEVSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH2+]1 ZINC001246359831 987769480 /nfs/dbraw/zinc/76/94/80/987769480.db2.gz CZFSFNZIVRVDTO-XBFCOCLRSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@@H](CC(C)C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401050 987782616 /nfs/dbraw/zinc/78/26/16/987782616.db2.gz IMMGRGPQOKADCB-RYUDHWBXSA-N 2 1 244.379 1.681 20 0 BDADMP CC(C)(Cc1ccncc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246407243 987789065 /nfs/dbraw/zinc/78/90/65/987789065.db2.gz PQTBUEZHZICJBO-ZDUSSCGKSA-N 2 1 233.359 1.744 20 0 BDADMP CCC1([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246423136 987794836 /nfs/dbraw/zinc/79/48/36/987794836.db2.gz IIWAUISTZFFWLH-VXGBXAGGSA-N 3 1 225.380 1.249 20 0 BDADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246442298 987800076 /nfs/dbraw/zinc/80/00/76/987800076.db2.gz CUJMGJUJKBNGNN-RNFRBKRXSA-N 2 1 208.227 1.279 20 0 BDADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246460215 987820532 /nfs/dbraw/zinc/82/05/32/987820532.db2.gz DKMGUXNYRYURIF-UPJWGTAASA-N 3 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)C[NH2+]1 ZINC001246460962 987820758 /nfs/dbraw/zinc/82/07/58/987820758.db2.gz LXBKFPFHSAKFKM-FVCCEPFGSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1CC[C@@H](NCCc2cccc(N)c2)C[NH2+]1 ZINC001246463545 987821898 /nfs/dbraw/zinc/82/18/98/987821898.db2.gz FPEATHSUFPGFPN-BXUZGUMPSA-N 2 1 233.359 1.541 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(N)c2)C[NH2+]1 ZINC001246463545 987821901 /nfs/dbraw/zinc/82/19/01/987821901.db2.gz FPEATHSUFPGFPN-BXUZGUMPSA-N 2 1 233.359 1.541 20 0 BDADMP CC1(C)CCC([NH2+]C[C@@H]2C[NH2+]CCN2)CC1 ZINC001246485538 987841039 /nfs/dbraw/zinc/84/10/39/987841039.db2.gz AKSQQMVARIHBIP-LBPRGKRZSA-N 2 1 225.380 1.106 20 0 BDADMP [NH3+]Cc1ccc(CCN[C@@H]2CCC[NH2+]C2)cc1 ZINC001246483798 987842081 /nfs/dbraw/zinc/84/20/81/987842081.db2.gz OLLDJWDFCDMAQD-CQSZACIVSA-N 2 1 233.359 1.029 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CC(C)(C)C1 ZINC001246489589 987843160 /nfs/dbraw/zinc/84/31/60/987843160.db2.gz NUVAMIKNPXZMFC-UPJWGTAASA-N 2 1 239.407 1.352 20 0 BDADMP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488619 987843200 /nfs/dbraw/zinc/84/32/00/987843200.db2.gz LCKICWRCCZFMEW-MJBXVCDLSA-N 2 1 241.423 1.742 20 0 BDADMP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2)C1 ZINC001246491514 987847504 /nfs/dbraw/zinc/84/75/04/987847504.db2.gz SRCQWKJLLCONSE-NEPJUHHUSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3nccn3c2)CC[NH2+]1 ZINC001246497830 987852782 /nfs/dbraw/zinc/85/27/82/987852782.db2.gz YPCGPIVEKGLPEZ-DGCLKSJQSA-N 2 1 244.342 1.564 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507235 987861386 /nfs/dbraw/zinc/86/13/86/987861386.db2.gz LZAHDRAZHQJYMZ-UONOGXRCSA-N 2 1 233.359 1.370 20 0 BDADMP CC(C)[N@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@H](C)C1 ZINC001246516457 987864651 /nfs/dbraw/zinc/86/46/51/987864651.db2.gz UCQHFWWUUMKUKF-OCCSQVGLSA-N 2 1 239.407 1.447 20 0 BDADMP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@H](C)C1 ZINC001246516457 987864656 /nfs/dbraw/zinc/86/46/56/987864656.db2.gz UCQHFWWUUMKUKF-OCCSQVGLSA-N 3 1 239.407 1.447 20 0 BDADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@H](C)C1 ZINC001246516457 987864657 /nfs/dbraw/zinc/86/46/57/987864657.db2.gz UCQHFWWUUMKUKF-OCCSQVGLSA-N 3 1 239.407 1.447 20 0 BDADMP Fc1ccc2ncc(C[NH2+]C3CC[NH2+]CC3)n2c1 ZINC001246522703 987873769 /nfs/dbraw/zinc/87/37/69/987873769.db2.gz DYRLWYPBMATPNZ-UHFFFAOYSA-N 2 1 248.305 1.315 20 0 BDADMP C[C@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CC[NH2+]1 ZINC001246528306 987883256 /nfs/dbraw/zinc/88/32/56/987883256.db2.gz VUJPJYMZGFDCPT-QWRGUYRKSA-N 3 1 222.336 1.087 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@](C)([NH3+])C1)C2 ZINC001246531408 987885616 /nfs/dbraw/zinc/88/56/16/987885616.db2.gz QSVNKGMKCFNPEU-CRWXNKLISA-N 2 1 237.391 1.425 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246531357 987887715 /nfs/dbraw/zinc/88/77/15/987887715.db2.gz PWMOYYZMTSBCRJ-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246531357 987887718 /nfs/dbraw/zinc/88/77/18/987887718.db2.gz PWMOYYZMTSBCRJ-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246539734 987904127 /nfs/dbraw/zinc/90/41/27/987904127.db2.gz IPRXYKVSQMPMDU-WODVXLOZSA-N 2 1 222.332 1.286 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246541976 987908820 /nfs/dbraw/zinc/90/88/20/987908820.db2.gz HZPQOBKWTRFACI-HZSPNIEDSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@H]1C[N@H+](C2CCC3(COC3)CC2)C[C@H]1C[NH3+] ZINC001246542449 987911123 /nfs/dbraw/zinc/91/11/23/987911123.db2.gz PIYUXYZDNJSKSV-NWDGAFQWSA-N 2 1 238.375 1.472 20 0 BDADMP CSCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546103 987925917 /nfs/dbraw/zinc/92/59/17/987925917.db2.gz YFCJPWYYFZRUOJ-RYUDHWBXSA-N 2 1 246.420 1.304 20 0 BDADMP CC(C)CC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546230 987931010 /nfs/dbraw/zinc/93/10/10/987931010.db2.gz ZBHAZFQZGSSIKL-UONOGXRCSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550393 987946516 /nfs/dbraw/zinc/94/65/16/987946516.db2.gz PFKDTHRUEPOUPK-FRRDWIJNSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550393 987946524 /nfs/dbraw/zinc/94/65/24/987946524.db2.gz PFKDTHRUEPOUPK-FRRDWIJNSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550393 987946534 /nfs/dbraw/zinc/94/65/34/987946534.db2.gz PFKDTHRUEPOUPK-FRRDWIJNSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246555306 987958008 /nfs/dbraw/zinc/95/80/08/987958008.db2.gz FYFBGILICQJUOG-DDHJBXDOSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246555306 987958021 /nfs/dbraw/zinc/95/80/21/987958021.db2.gz FYFBGILICQJUOG-DDHJBXDOSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCCOC2)CC1 ZINC001246553850 987958749 /nfs/dbraw/zinc/95/87/49/987958749.db2.gz SRPOZHDXVBAJTG-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@H]1CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246560694 987997429 /nfs/dbraw/zinc/99/74/29/987997429.db2.gz RZRRTFRAWILJKS-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@@H]2CCCOC2)C1 ZINC001246562752 988001220 /nfs/dbraw/zinc/00/12/20/988001220.db2.gz ZLNPLSSMNQPWAT-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@@H]2CCCOC2)C1 ZINC001246562752 988001235 /nfs/dbraw/zinc/00/12/35/988001235.db2.gz ZLNPLSSMNQPWAT-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[N@H+](C2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001246562714 988003296 /nfs/dbraw/zinc/00/32/96/988003296.db2.gz WESDKQWPPKKEHV-OLZOCXBDSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001246562714 988003312 /nfs/dbraw/zinc/00/33/12/988003312.db2.gz WESDKQWPPKKEHV-OLZOCXBDSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC001246562714 988003328 /nfs/dbraw/zinc/00/33/28/988003328.db2.gz WESDKQWPPKKEHV-OLZOCXBDSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@H]2CCCOC2)C1 ZINC001246562756 988004037 /nfs/dbraw/zinc/00/40/37/988004037.db2.gz ZLNPLSSMNQPWAT-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@H]2CCCOC2)C1 ZINC001246562756 988004043 /nfs/dbraw/zinc/00/40/43/988004043.db2.gz ZLNPLSSMNQPWAT-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1N ZINC001246562947 988004585 /nfs/dbraw/zinc/00/45/85/988004585.db2.gz ALOMHSCVKRSSFW-YPMHNXCESA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1CC[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1N ZINC001246562947 988004601 /nfs/dbraw/zinc/00/46/01/988004601.db2.gz ALOMHSCVKRSSFW-YPMHNXCESA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CCO1 ZINC001246569079 988036860 /nfs/dbraw/zinc/03/68/60/988036860.db2.gz PTRAUMDBKGXJLQ-REWJHTLYSA-N 2 1 240.391 1.861 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246568511 988039296 /nfs/dbraw/zinc/03/92/96/988039296.db2.gz OPSAFIYFDKDCOS-WOPDTQHZSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCc3ncsc3C2)C[C@H]1[NH3+] ZINC001246568381 988042210 /nfs/dbraw/zinc/04/22/10/988042210.db2.gz RPIDGDJVEGGKQX-KXUCPTDWSA-N 2 1 237.372 1.279 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCc3ncsc3C2)C[C@H]1[NH3+] ZINC001246568381 988042225 /nfs/dbraw/zinc/04/22/25/988042225.db2.gz RPIDGDJVEGGKQX-KXUCPTDWSA-N 2 1 237.372 1.279 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246572163 988061800 /nfs/dbraw/zinc/06/18/00/988061800.db2.gz UTBJQURPLUADSG-YNEHKIRRSA-N 2 1 246.370 1.951 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246572163 988061816 /nfs/dbraw/zinc/06/18/16/988061816.db2.gz UTBJQURPLUADSG-YNEHKIRRSA-N 2 1 246.370 1.951 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CO1 ZINC001246574139 988073449 /nfs/dbraw/zinc/07/34/49/988073449.db2.gz DHGFDBXYNUGPNC-DGCLKSJQSA-N 2 1 244.354 1.707 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CO1 ZINC001246574139 988073464 /nfs/dbraw/zinc/07/34/64/988073464.db2.gz DHGFDBXYNUGPNC-DGCLKSJQSA-N 2 1 244.354 1.707 20 0 BDADMP NC[C@@]1(F)CCCC[N@H+](C2CCOCC2)C1 ZINC001246575830 988086303 /nfs/dbraw/zinc/08/63/03/988086303.db2.gz JCQFKIUJZDIQHG-LBPRGKRZSA-N 2 1 230.327 1.318 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCCOCC2)C1 ZINC001246579801 988100477 /nfs/dbraw/zinc/10/04/77/988100477.db2.gz LKBNEADCAYPFLA-QWHCGFSZSA-N 2 1 244.354 1.708 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCCOCC2)C1 ZINC001246579801 988100482 /nfs/dbraw/zinc/10/04/82/988100482.db2.gz LKBNEADCAYPFLA-QWHCGFSZSA-N 2 1 244.354 1.708 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCCOC2)C1 ZINC001246583762 988122088 /nfs/dbraw/zinc/12/20/88/988122088.db2.gz KIGFZWJEYJOPOZ-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CCCC[C@H](CC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246584028 988122960 /nfs/dbraw/zinc/12/29/60/988122960.db2.gz KYKMXSYOMKJKMV-SDDRHHMPSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246582827 988124953 /nfs/dbraw/zinc/12/49/53/988124953.db2.gz TZEOVWBWUSEMBJ-YNEHKIRRSA-N 2 1 244.354 1.707 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246582827 988124956 /nfs/dbraw/zinc/12/49/56/988124956.db2.gz TZEOVWBWUSEMBJ-YNEHKIRRSA-N 2 1 244.354 1.707 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246585651 988132081 /nfs/dbraw/zinc/13/20/81/988132081.db2.gz PNNPOVRMZBZDOJ-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@@H]([N@@H+]2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246585651 988132088 /nfs/dbraw/zinc/13/20/88/988132088.db2.gz PNNPOVRMZBZDOJ-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246585651 988132097 /nfs/dbraw/zinc/13/20/97/988132097.db2.gz PNNPOVRMZBZDOJ-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H](C)C1 ZINC001246589101 988152648 /nfs/dbraw/zinc/15/26/48/988152648.db2.gz YZYVOICBZIUTPA-OBPIAQAESA-N 2 1 226.364 1.063 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@]1(C)O ZINC001246590526 988167614 /nfs/dbraw/zinc/16/76/14/988167614.db2.gz KDZALIZDBDKMON-SYCZCVCYSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246590262 988167797 /nfs/dbraw/zinc/16/77/97/988167797.db2.gz RZEMEXWOQOHHFO-YVECIDJPSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246590262 988167809 /nfs/dbraw/zinc/16/78/09/988167809.db2.gz RZEMEXWOQOHHFO-YVECIDJPSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246589852 988170165 /nfs/dbraw/zinc/17/01/65/988170165.db2.gz GZOAJSFRWIWDHP-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)C[NH2+]1 ZINC001246595090 988190254 /nfs/dbraw/zinc/19/02/54/988190254.db2.gz XULXIWZQVSFOIM-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C)[C@](C)(O)C2)C[NH2+]1 ZINC001246595090 988190267 /nfs/dbraw/zinc/19/02/67/988190267.db2.gz XULXIWZQVSFOIM-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246595004 988192055 /nfs/dbraw/zinc/19/20/55/988192055.db2.gz XEUFBXOMNJSIGQ-REWJHTLYSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246595004 988192064 /nfs/dbraw/zinc/19/20/64/988192064.db2.gz XEUFBXOMNJSIGQ-REWJHTLYSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597652 988198580 /nfs/dbraw/zinc/19/85/80/988198580.db2.gz YAHXJDSSEKJRNS-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597652 988198597 /nfs/dbraw/zinc/19/85/97/988198597.db2.gz YAHXJDSSEKJRNS-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH2+]1 ZINC001246599969 988208202 /nfs/dbraw/zinc/20/82/02/988208202.db2.gz QLEVCFUPSOLQEO-FDYHWXHSSA-N 2 1 226.364 1.362 20 0 BDADMP C1C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246608808 988233638 /nfs/dbraw/zinc/23/36/38/988233638.db2.gz JYHHTOJUEUCJMF-LXTVHRRPSA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246611069 988242506 /nfs/dbraw/zinc/24/25/06/988242506.db2.gz RHYBSJZVHBQDNX-ZFWWWQNUSA-N 3 1 249.402 1.347 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616250 988256671 /nfs/dbraw/zinc/25/66/71/988256671.db2.gz AKEKWACCMHHPTQ-MGPQQGTHSA-N 2 1 238.375 1.772 20 0 BDADMP CC1CCC(N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001246622767 988269787 /nfs/dbraw/zinc/26/97/87/988269787.db2.gz IQDCVWAVPYULOH-JXQTWKCFSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621783 988270887 /nfs/dbraw/zinc/27/08/87/988270887.db2.gz GJENRDXLLGQODR-MGPQQGTHSA-N 2 1 240.391 1.731 20 0 BDADMP C1CC12CNCC[N@@H+]2C1CCC2(CC[NH2+]C2)CC1 ZINC001246627446 988293614 /nfs/dbraw/zinc/29/36/14/988293614.db2.gz WIZZCCXRZBQPNG-UHFFFAOYSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12CNCC[N@H+]2C1CCC2(CC[NH2+]C2)CC1 ZINC001246627446 988293630 /nfs/dbraw/zinc/29/36/30/988293630.db2.gz WIZZCCXRZBQPNG-UHFFFAOYSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628053 988297406 /nfs/dbraw/zinc/29/74/06/988297406.db2.gz LZAUMBYYKQTIII-IGQOVBAYSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H]1CC[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628053 988297428 /nfs/dbraw/zinc/29/74/28/988297428.db2.gz LZAUMBYYKQTIII-IGQOVBAYSA-N 2 1 237.391 1.058 20 0 BDADMP C1C[C@@H]2[C@H](CC[N@H+]2C2CCSCC2)[NH2+]1 ZINC001246637480 988328133 /nfs/dbraw/zinc/32/81/33/988328133.db2.gz ZBDFCWLUHWYWCL-WDEREUQCSA-N 2 1 212.362 1.318 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246641207 988350101 /nfs/dbraw/zinc/35/01/01/988350101.db2.gz HXPVRXZXRIXPGR-AIEDFZFUSA-N 3 1 249.402 1.438 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246646760 988362948 /nfs/dbraw/zinc/36/29/48/988362948.db2.gz HWWDQJPFDIZDQZ-AAVRWANBSA-N 2 1 238.375 1.628 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246647390 988364546 /nfs/dbraw/zinc/36/45/46/988364546.db2.gz SQIVFLPLKSHTEL-YJNKXOJESA-N 3 1 249.402 1.202 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246666588 988412779 /nfs/dbraw/zinc/41/27/79/988412779.db2.gz WKSXRQVCOQNUCE-PWSUYJOCSA-N 2 1 234.347 1.148 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC[NH2+]1 ZINC001246679281 988424483 /nfs/dbraw/zinc/42/44/83/988424483.db2.gz TUGMSVWKWBOUSN-WISYIIOYSA-N 2 1 222.332 1.323 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246679783 988430103 /nfs/dbraw/zinc/43/01/03/988430103.db2.gz XTCWBWNPDYXGQW-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246679783 988430120 /nfs/dbraw/zinc/43/01/20/988430120.db2.gz XTCWBWNPDYXGQW-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@@H](N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C[NH2+]1 ZINC001246700472 988449004 /nfs/dbraw/zinc/44/90/04/988449004.db2.gz JBRFXEKOPLWZMZ-YIYPIFLZSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700472 988449017 /nfs/dbraw/zinc/44/90/17/988449017.db2.gz JBRFXEKOPLWZMZ-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700472 988449028 /nfs/dbraw/zinc/44/90/28/988449028.db2.gz JBRFXEKOPLWZMZ-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700472 988449036 /nfs/dbraw/zinc/44/90/36/988449036.db2.gz JBRFXEKOPLWZMZ-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700472 988449043 /nfs/dbraw/zinc/44/90/43/988449043.db2.gz JBRFXEKOPLWZMZ-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH2+]1 ZINC001246768667 988456873 /nfs/dbraw/zinc/45/68/73/988456873.db2.gz GASNYFMBGSQHJV-CSYMLDBXSA-N 2 1 212.312 1.559 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246781049 988460361 /nfs/dbraw/zinc/46/03/61/988460361.db2.gz MVRXRXMXPVZYHK-YPMHNXCESA-N 3 1 225.380 1.058 20 0 BDADMP C1COC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246803791 988485257 /nfs/dbraw/zinc/48/52/57/988485257.db2.gz DAELKINWXITVQL-UHFFFAOYSA-N 2 1 224.348 1.383 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC001246828376 988515006 /nfs/dbraw/zinc/51/50/06/988515006.db2.gz AVZVXHHOFVFGKI-RHYQMDGZSA-N 2 1 212.337 1.236 20 0 BDADMP C1CC12CCCC[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845224 988556602 /nfs/dbraw/zinc/55/66/02/988556602.db2.gz LQSRAUUZCVTGTP-LBPRGKRZSA-N 2 1 235.375 1.099 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246859598 988592815 /nfs/dbraw/zinc/59/28/15/988592815.db2.gz GGAWUBIBEOVSJT-WXHSDQCUSA-N 2 1 224.348 1.570 20 0 BDADMP CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246859598 988592825 /nfs/dbraw/zinc/59/28/25/988592825.db2.gz GGAWUBIBEOVSJT-WXHSDQCUSA-N 2 1 224.348 1.570 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246863540 988606542 /nfs/dbraw/zinc/60/65/42/988606542.db2.gz YKOAAXXRYVQURV-CYDGBPFRSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246863540 988606561 /nfs/dbraw/zinc/60/65/61/988606561.db2.gz YKOAAXXRYVQURV-CYDGBPFRSA-N 2 1 224.348 1.095 20 0 BDADMP CCCC(CCC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863932 988609421 /nfs/dbraw/zinc/60/94/21/988609421.db2.gz ZNOKFZOSUXCNCZ-ONXXMXGDSA-N 2 1 240.391 1.861 20 0 BDADMP CC1(C)C[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001246865178 988612984 /nfs/dbraw/zinc/61/29/84/988612984.db2.gz YIEQNGPUFPSKIR-LOWVWBTDSA-N 2 1 224.348 1.367 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246865927 988619913 /nfs/dbraw/zinc/61/99/13/988619913.db2.gz DGPURFAPLSBFRI-DMDPSCGWSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246865927 988619928 /nfs/dbraw/zinc/61/99/28/988619928.db2.gz DGPURFAPLSBFRI-DMDPSCGWSA-N 2 1 240.347 1.141 20 0 BDADMP C[NH+]1CCC2(CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246875492 988644540 /nfs/dbraw/zinc/64/45/40/988644540.db2.gz WVBXFPFRQLCTND-PBWFPOADSA-N 2 1 249.402 1.297 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246875350 988646794 /nfs/dbraw/zinc/64/67/94/988646794.db2.gz KLUZLRDMMBAJES-RQICVUQASA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246914132 988702354 /nfs/dbraw/zinc/70/23/54/988702354.db2.gz ZGIIDMFQWOQJOS-LPWJVIDDSA-N 3 1 225.380 1.329 20 0 BDADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246915820 988709742 /nfs/dbraw/zinc/70/97/42/988709742.db2.gz FXLSFLHOEGCAPR-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246915820 988709755 /nfs/dbraw/zinc/70/97/55/988709755.db2.gz FXLSFLHOEGCAPR-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)C[C@@H](C)C1 ZINC001246923699 988740149 /nfs/dbraw/zinc/74/01/49/988740149.db2.gz YWJLTHPTNRDZIU-FHUSYTEZSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCc3c(N)cccc3C2)CC[NH2+]1 ZINC001246936674 988770056 /nfs/dbraw/zinc/77/00/56/988770056.db2.gz XJRZNCUQVJORQF-YPMHNXCESA-N 2 1 245.370 1.767 20 0 BDADMP CC(C)[N@H+]1CCN([C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC001246977584 988810391 /nfs/dbraw/zinc/81/03/91/988810391.db2.gz DYMPVEDJQFRBAZ-IHRRRGAJSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[N@H+]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980771 988812733 /nfs/dbraw/zinc/81/27/33/988812733.db2.gz SMYFBYCJTRUOMJ-MELADBBJSA-N 2 1 239.407 1.541 20 0 BDADMP CCCC(CCC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246987406 988820037 /nfs/dbraw/zinc/82/00/37/988820037.db2.gz GTKXDSLKHXYYTP-GFCCVEGCSA-N 2 1 226.364 1.615 20 0 BDADMP CCCC(CCC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246987406 988820045 /nfs/dbraw/zinc/82/00/45/988820045.db2.gz GTKXDSLKHXYYTP-GFCCVEGCSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@H](CC(C)C)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988532 988820116 /nfs/dbraw/zinc/82/01/16/988820116.db2.gz JTERAECWRUBTIA-NEPJUHHUSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988532 988820121 /nfs/dbraw/zinc/82/01/21/988820121.db2.gz JTERAECWRUBTIA-NEPJUHHUSA-N 2 1 226.364 1.471 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001247004178 988834752 /nfs/dbraw/zinc/83/47/52/988834752.db2.gz PMECSPMAZLJLAE-DLOVCJGASA-N 2 1 210.321 1.180 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001247004178 988834758 /nfs/dbraw/zinc/83/47/58/988834758.db2.gz PMECSPMAZLJLAE-DLOVCJGASA-N 2 1 210.321 1.180 20 0 BDADMP O=C1CCC[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC001247007892 988834829 /nfs/dbraw/zinc/83/48/29/988834829.db2.gz ZCLUUODHVTVSQS-UTUOFQBUSA-N 2 1 222.332 1.039 20 0 BDADMP [NH3+][C@@H]1CCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001247002914 988837549 /nfs/dbraw/zinc/83/75/49/988837549.db2.gz QWQFUNRBMBDTKQ-QNMSZWNNSA-N 3 1 249.402 1.473 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)C[C@H]1C ZINC001247002729 988838136 /nfs/dbraw/zinc/83/81/36/988838136.db2.gz TYGWWTROAYGBCB-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014496 988842171 /nfs/dbraw/zinc/84/21/71/988842171.db2.gz KLZINODFVZAPPW-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247014496 988842174 /nfs/dbraw/zinc/84/21/74/988842174.db2.gz KLZINODFVZAPPW-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+](C)Cc1ccc2nc(C[NH3+])[nH]c2c1 ZINC001247021579 988846024 /nfs/dbraw/zinc/84/60/24/988846024.db2.gz SMIDYLYDHRKXHU-UHFFFAOYSA-N 2 1 204.277 1.083 20 0 BDADMP Cc1cccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247508119 988906261 /nfs/dbraw/zinc/90/62/61/988906261.db2.gz PCJYTNHQPYABBO-NSHDSACASA-N 2 1 246.314 1.784 20 0 BDADMP Cc1cc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)ccn1 ZINC001247509049 988907728 /nfs/dbraw/zinc/90/77/28/988907728.db2.gz VBVOIVFYGLREIH-SNVBAGLBSA-N 2 1 247.302 1.179 20 0 BDADMP [NH3+]CCC[C@@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC001247509002 988908874 /nfs/dbraw/zinc/90/88/74/988908874.db2.gz UBSJVFPLKKELPS-SNVBAGLBSA-N 2 1 232.287 1.475 20 0 BDADMP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n(C2CC2)c1 ZINC001324659451 988914457 /nfs/dbraw/zinc/91/44/57/988914457.db2.gz BZJOZSAUFRBFLE-VXGBXAGGSA-N 2 1 231.343 1.474 20 0 BDADMP CC[C@@H](C[NH+]1CCCC1)Nc1cc[nH+]c(N)n1 ZINC001515471579 989054625 /nfs/dbraw/zinc/05/46/25/989054625.db2.gz XTVMXIBXRQTTJS-JTQLQIEISA-N 2 1 235.335 1.345 20 0 BDADMP OCC12CCC(CC1)[N@H+]2CCCn1ccnc1 ZINC000722993828 989062894 /nfs/dbraw/zinc/06/28/94/989062894.db2.gz JKCBPLMOQFOQQW-UHFFFAOYSA-N 2 1 235.331 1.263 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC001325719220 989239011 /nfs/dbraw/zinc/23/90/11/989239011.db2.gz VWBFDMRNCKPYQQ-ZIAGYGMSSA-N 3 1 241.423 1.825 20 0 BDADMP CCN1CCC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC001325719220 989239020 /nfs/dbraw/zinc/23/90/20/989239020.db2.gz VWBFDMRNCKPYQQ-ZIAGYGMSSA-N 2 1 241.423 1.825 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001119682318 989329310 /nfs/dbraw/zinc/32/93/10/989329310.db2.gz FRNVDHXKQNLLAD-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001119699496 989343458 /nfs/dbraw/zinc/34/34/58/989343458.db2.gz RKZAJOWFUKPTPF-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC001119699498 989344296 /nfs/dbraw/zinc/34/42/96/989344296.db2.gz RKZAJOWFUKPTPF-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOC2CC2)CC1 ZINC001119850793 989441932 /nfs/dbraw/zinc/44/19/32/989441932.db2.gz CFLMANCGTBXETA-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)on1 ZINC001326278077 989460282 /nfs/dbraw/zinc/46/02/82/989460282.db2.gz RXZFDBSLLNSCCZ-UHFFFAOYSA-N 2 1 235.331 1.640 20 0 BDADMP c1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc[nH+]1 ZINC001120784778 989880616 /nfs/dbraw/zinc/88/06/16/989880616.db2.gz UWRLELQKNJZERN-ZIAGYGMSSA-N 2 1 231.343 1.932 20 0 BDADMP Nc1nc(NC2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC001120796644 989888045 /nfs/dbraw/zinc/88/80/45/989888045.db2.gz DBNZDWQIOUAIGG-UHFFFAOYSA-N 2 1 233.319 1.098 20 0 BDADMP CC[N@H+]1CCC[C@H](CNc2cc[nH+]c(N)n2)C1 ZINC001120809109 989894385 /nfs/dbraw/zinc/89/43/85/989894385.db2.gz BUNIIEMQKBBATA-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP CC[N@@H+]1CCC[C@H](CNc2cc[nH+]c(N)n2)C1 ZINC001120809109 989894382 /nfs/dbraw/zinc/89/43/82/989894382.db2.gz BUNIIEMQKBBATA-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@H](C)CCC=C(C)C ZINC001258076957 990973277 /nfs/dbraw/zinc/97/32/77/990973277.db2.gz UHNWQVOAEVYCJM-VXGBXAGGSA-N 2 1 242.363 1.459 20 0 BDADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@H]2C1 ZINC001139470332 991258434 /nfs/dbraw/zinc/25/84/34/991258434.db2.gz QEBDBVYXYLXXIW-CHWSQXEVSA-N 2 1 247.342 1.171 20 0 BDADMP CC1(C[NH3+])C[NH+](Cc2cccc3c2CCN3)C1 ZINC001206736836 991276901 /nfs/dbraw/zinc/27/69/01/991276901.db2.gz IGBOLTKOMJNEFM-UHFFFAOYSA-N 2 1 231.343 1.435 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001258350891 991282442 /nfs/dbraw/zinc/28/24/42/991282442.db2.gz DYPADLDDYYGYOV-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP CCOC(=O)CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001258477024 991451460 /nfs/dbraw/zinc/45/14/60/991451460.db2.gz YUSJAOQQWVGRAX-NWDGAFQWSA-N 2 1 242.363 1.260 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)nc3)[C@@H]2C1 ZINC001560623165 991524935 /nfs/dbraw/zinc/52/49/35/991524935.db2.gz QQOPBBWEOTYTID-YNEHKIRRSA-N 2 1 249.333 1.651 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)nc3)[C@@H]2C1 ZINC001560623165 991524948 /nfs/dbraw/zinc/52/49/48/991524948.db2.gz QQOPBBWEOTYTID-YNEHKIRRSA-N 2 1 249.333 1.651 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258630264 991568867 /nfs/dbraw/zinc/56/88/67/991568867.db2.gz QEWDFCUCHUOPLW-AEGPPILISA-N 2 1 245.370 1.506 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258630264 991568880 /nfs/dbraw/zinc/56/88/80/991568880.db2.gz QEWDFCUCHUOPLW-AEGPPILISA-N 2 1 245.370 1.506 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258630264 991568891 /nfs/dbraw/zinc/56/88/91/991568891.db2.gz QEWDFCUCHUOPLW-AEGPPILISA-N 2 1 245.370 1.506 20 0 BDADMP Nc1cc(NC2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC001318519096 991671262 /nfs/dbraw/zinc/67/12/62/991671262.db2.gz JUSZZOYXHYDDBL-UHFFFAOYSA-N 2 1 233.319 1.098 20 0 BDADMP Cc1ncoc1C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001561034613 991692790 /nfs/dbraw/zinc/69/27/90/991692790.db2.gz XCMUOYJQPVDTEE-LBPRGKRZSA-N 2 1 235.331 1.414 20 0 BDADMP CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)C(N)=O ZINC001258769646 991733432 /nfs/dbraw/zinc/73/34/32/991733432.db2.gz ZMBQNDUFMYBVGN-LBPRGKRZSA-N 2 1 241.379 1.104 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCOC[C@H](C)C2)CC1 ZINC001258771691 991735965 /nfs/dbraw/zinc/73/59/65/991735965.db2.gz OZUNKHWPDFTHTB-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC001258775405 991736524 /nfs/dbraw/zinc/73/65/24/991736524.db2.gz NPXLECKOQLGCBO-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC001258775405 991736534 /nfs/dbraw/zinc/73/65/34/991736534.db2.gz NPXLECKOQLGCBO-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1cc(C)nc(C)c1 ZINC001319543789 991890807 /nfs/dbraw/zinc/89/08/07/991890807.db2.gz DZUUJWFKIXHSGB-UHFFFAOYSA-N 2 1 235.331 1.401 20 0 BDADMP CCCN(C)CC(=O)Nc1cc(C)nc(C)c1 ZINC001319543789 991890810 /nfs/dbraw/zinc/89/08/10/991890810.db2.gz DZUUJWFKIXHSGB-UHFFFAOYSA-N 2 1 235.331 1.401 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)n1cnc(C[NH3+])n1 ZINC001258900741 991896398 /nfs/dbraw/zinc/89/63/98/991896398.db2.gz RMQFMSYJKSYLOO-NSHDSACASA-N 2 1 239.367 1.420 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cccc2c1OCO2 ZINC001261370266 992275503 /nfs/dbraw/zinc/27/55/03/992275503.db2.gz CZPKCBMVWSZLTB-SNVBAGLBSA-N 2 1 236.315 1.503 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc2c1OCO2 ZINC001261370265 992276982 /nfs/dbraw/zinc/27/69/82/992276982.db2.gz CZPKCBMVWSZLTB-JTQLQIEISA-N 2 1 236.315 1.503 20 0 BDADMP CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cnn(C)c1 ZINC001261423915 992294496 /nfs/dbraw/zinc/29/44/96/992294496.db2.gz IQBIKPIMAVOLJO-ZYHUDNBSSA-N 2 1 224.352 1.459 20 0 BDADMP CC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)c1cnn(C)c1 ZINC001261423912 992295273 /nfs/dbraw/zinc/29/52/73/992295273.db2.gz IQBIKPIMAVOLJO-CMPLNLGQSA-N 2 1 224.352 1.459 20 0 BDADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC ZINC001569147134 992333740 /nfs/dbraw/zinc/33/37/40/992333740.db2.gz RHVQQYZONPSAKH-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)CC ZINC001569147134 992333753 /nfs/dbraw/zinc/33/37/53/992333753.db2.gz RHVQQYZONPSAKH-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)CC ZINC001569147134 992333765 /nfs/dbraw/zinc/33/37/65/992333765.db2.gz RHVQQYZONPSAKH-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001569270342 992352969 /nfs/dbraw/zinc/35/29/69/992352969.db2.gz RQLRPHZQCCCVCK-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001474756856 992515449 /nfs/dbraw/zinc/51/54/49/992515449.db2.gz MYCSBRKICAPAEC-MGBPRESASA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CO1 ZINC001474757323 992529550 /nfs/dbraw/zinc/52/95/50/992529550.db2.gz UVJYTIDRWGXOPP-QNWJLWSRSA-N 2 1 224.348 1.094 20 0 BDADMP COCC[N@@H+](CC1(C)CC1)C1CC[NH2+]CC1 ZINC001573985326 992787230 /nfs/dbraw/zinc/78/72/30/992787230.db2.gz BDYFTGGHVBOZAQ-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C(C1=NOCC1)[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001574800449 992915628 /nfs/dbraw/zinc/91/56/28/992915628.db2.gz IFTVFDGGJZYXTP-YPMHNXCESA-N 2 1 237.347 1.227 20 0 BDADMP C(C1=NOCC1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001574800449 992915638 /nfs/dbraw/zinc/91/56/38/992915638.db2.gz IFTVFDGGJZYXTP-YPMHNXCESA-N 2 1 237.347 1.227 20 0 BDADMP CC(C)(C)OC(=O)C1CC([NH2+]C(C)(C)C[NH3+])C1 ZINC001575317517 993012599 /nfs/dbraw/zinc/01/25/99/993012599.db2.gz FHVAJPIZLJWLNT-UHFFFAOYSA-N 2 1 242.363 1.434 20 0 BDADMP CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH+]c(N)n2)C1 ZINC001262686612 993026940 /nfs/dbraw/zinc/02/69/40/993026940.db2.gz PBAAGOIVINYUIS-LLVKDONJSA-N 2 1 249.362 1.449 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]c(N)n2)C1 ZINC001262686612 993026950 /nfs/dbraw/zinc/02/69/50/993026950.db2.gz PBAAGOIVINYUIS-LLVKDONJSA-N 2 1 249.362 1.449 20 0 BDADMP CC(C)(O)C[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001575379801 993029697 /nfs/dbraw/zinc/02/96/97/993029697.db2.gz LRVJKGXWJAZUMB-AAEUAGOBSA-N 2 1 226.364 1.208 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575423068 993042467 /nfs/dbraw/zinc/04/24/67/993042467.db2.gz ORCYDQVPFWYPMX-BDAKNGLRSA-N 2 1 242.285 1.263 20 0 BDADMP Nc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ncn1 ZINC001262701397 993043118 /nfs/dbraw/zinc/04/31/18/993043118.db2.gz LFDRKDDKJQJLQW-GHMZBOCLSA-N 2 1 247.346 1.488 20 0 BDADMP CC(C)[C@H](CO)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575436503 993045096 /nfs/dbraw/zinc/04/50/96/993045096.db2.gz ZPVOZHWIRHHZMT-IUCAKERBSA-N 2 1 242.285 1.120 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001575472441 993050639 /nfs/dbraw/zinc/05/06/39/993050639.db2.gz MXAOQRKEDHEXMC-XQQFMLRXSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC001575472063 993051554 /nfs/dbraw/zinc/05/15/54/993051554.db2.gz LOXKNUVZNPERDK-MNOVXSKESA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)C[C@H](CO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575640303 993089807 /nfs/dbraw/zinc/08/98/07/993089807.db2.gz PMYIAYGUVHTUBZ-RKDXNWHRSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)N1CCC([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001575697576 993095274 /nfs/dbraw/zinc/09/52/74/993095274.db2.gz XVLUMIOBXLEIFM-QWHCGFSZSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001575967958 993143483 /nfs/dbraw/zinc/14/34/83/993143483.db2.gz QTRNYSNPKRBKBB-MNOVXSKESA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001576157607 993198556 /nfs/dbraw/zinc/19/85/56/993198556.db2.gz SUWXATIFLWEZNG-AEGPPILISA-N 2 1 246.354 1.234 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001576157607 993198559 /nfs/dbraw/zinc/19/85/59/993198559.db2.gz SUWXATIFLWEZNG-AEGPPILISA-N 2 1 246.354 1.234 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)[C@H]1COC(C)(C)O1 ZINC001576253175 993235143 /nfs/dbraw/zinc/23/51/43/993235143.db2.gz VHQXQCVWZJWWEH-DDHJBXDOSA-N 2 1 242.363 1.257 20 0 BDADMP C[C@@H](O)C(C)(C)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001576267209 993240565 /nfs/dbraw/zinc/24/05/65/993240565.db2.gz WKDQTQXAVJPYFF-HTQZYQBOSA-N 2 1 242.285 1.263 20 0 BDADMP COC(=O)C(C)(C)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000379807281 993281870 /nfs/dbraw/zinc/28/18/70/993281870.db2.gz OFIWJIBDSRGRNU-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCCOC2)[NH2+]C1 ZINC001576421191 993298774 /nfs/dbraw/zinc/29/87/74/993298774.db2.gz IZEWDRZSAQANRG-NWDGAFQWSA-N 2 1 226.364 1.533 20 0 BDADMP CC1(C)CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)[NH2+]C1 ZINC001576421954 993299612 /nfs/dbraw/zinc/29/96/12/993299612.db2.gz SNLLOHOYILQDMN-OLZOCXBDSA-N 2 1 240.391 1.781 20 0 BDADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCCOC2)[NH2+]C1 ZINC001576421193 993301496 /nfs/dbraw/zinc/30/14/96/993301496.db2.gz IZEWDRZSAQANRG-VXGBXAGGSA-N 2 1 226.364 1.533 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC[C@H]1O ZINC001576457806 993312230 /nfs/dbraw/zinc/31/22/30/993312230.db2.gz OQQWPILWBICNRZ-QJPTWQEYSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@H](CC[NH3+])C2)CCCCO1 ZINC001576504005 993326439 /nfs/dbraw/zinc/32/64/39/993326439.db2.gz ZZOAXTNDJDBGLQ-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000380355646 993327378 /nfs/dbraw/zinc/32/73/78/993327378.db2.gz WSRMGWAYPIFDPV-GRYCIOLGSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@]1(CO)CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001576525834 993329677 /nfs/dbraw/zinc/32/96/77/993329677.db2.gz ITDNAVDURJHDFI-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@]1(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C[NH2+]CCO1 ZINC001576519105 993329942 /nfs/dbraw/zinc/32/99/42/993329942.db2.gz KGCTYOISQWSAGO-ZDEQEGDKSA-N 2 1 224.348 1.143 20 0 BDADMP CC1([NH2+]Cc2cccc3c2OCC3)CC[NH2+]CC1 ZINC001576545477 993338952 /nfs/dbraw/zinc/33/89/52/993338952.db2.gz MUHKRPLGSOCISB-UHFFFAOYSA-N 2 1 246.354 1.853 20 0 BDADMP Cc1[nH+]ccn1CCNc1cc(N)cc[nH+]1 ZINC000380590677 993339300 /nfs/dbraw/zinc/33/93/00/993339300.db2.gz RYWKWMOXVIEPON-UHFFFAOYSA-N 2 1 217.276 1.281 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000380668633 993341261 /nfs/dbraw/zinc/34/12/61/993341261.db2.gz AIOBYBBOUGREIK-OLZOCXBDSA-N 2 1 226.364 1.474 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000380668631 993342717 /nfs/dbraw/zinc/34/27/17/993342717.db2.gz AIOBYBBOUGREIK-CHWSQXEVSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@@]1(O)CCC[NH2+]C1 ZINC001576589504 993358112 /nfs/dbraw/zinc/35/81/12/993358112.db2.gz QJBNKDTYSZBBGZ-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+]C2(c3ncon3)CC2)CC[NH2+]1 ZINC001576597810 993361203 /nfs/dbraw/zinc/36/12/03/993361203.db2.gz IPDSWJUSDHOEIG-NXEZZACHSA-N 2 1 236.319 1.036 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CC[N@@H+]1C ZINC001576623970 993372661 /nfs/dbraw/zinc/37/26/61/993372661.db2.gz NJUHNTBQPKXTSA-UNUDTGPYSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CC[N@H+]1C ZINC001576623970 993372667 /nfs/dbraw/zinc/37/26/67/993372667.db2.gz NJUHNTBQPKXTSA-UNUDTGPYSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC001576623979 993373045 /nfs/dbraw/zinc/37/30/45/993373045.db2.gz NPLGFWMGAQKHOB-NAWOPXAZSA-N 2 1 226.364 1.076 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C[NH2+]1 ZINC001576667633 993377662 /nfs/dbraw/zinc/37/76/62/993377662.db2.gz VHRAZXCGHQDILE-QNWJLWSRSA-N 2 1 208.349 1.905 20 0 BDADMP CCCCC[N@@H+](C)C[C@@H](O)C[NH+](CC)CC ZINC000381270469 993383457 /nfs/dbraw/zinc/38/34/57/993383457.db2.gz VJDLUWIPXOUDNQ-CYBMUJFWSA-N 2 1 230.396 1.811 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CC[N@H+](C)C2)C1 ZINC000381374413 993387132 /nfs/dbraw/zinc/38/71/32/993387132.db2.gz JGTCPUHYPITNCE-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CC[N@@H+](C)C2)C1 ZINC000381374413 993387137 /nfs/dbraw/zinc/38/71/37/993387137.db2.gz JGTCPUHYPITNCE-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP CC[C@](C)(C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)OC ZINC001576949592 993465236 /nfs/dbraw/zinc/46/52/36/993465236.db2.gz MKRSPBDJJPSNLQ-NOOOWODRSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001576996406 993481880 /nfs/dbraw/zinc/48/18/80/993481880.db2.gz FEQMPEZWRXHICO-SDDRHHMPSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001576996406 993481885 /nfs/dbraw/zinc/48/18/85/993481885.db2.gz FEQMPEZWRXHICO-SDDRHHMPSA-N 2 1 212.337 1.238 20 0 BDADMP CCC(CC)(C[NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001577052141 993489674 /nfs/dbraw/zinc/48/96/74/993489674.db2.gz JSIVBUDEDLZHRD-VXGBXAGGSA-N 2 1 227.396 1.434 20 0 BDADMP CCC(CC)(C[NH3+])C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC001577052141 993489677 /nfs/dbraw/zinc/48/96/77/993489677.db2.gz JSIVBUDEDLZHRD-VXGBXAGGSA-N 2 1 227.396 1.434 20 0 BDADMP CCC(CC)(C[NH3+])C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001577051219 993489721 /nfs/dbraw/zinc/48/97/21/993489721.db2.gz MAWCUDQWHVPOGK-NSHDSACASA-N 2 1 226.364 1.208 20 0 BDADMP CCC(CC)[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001577078073 993496007 /nfs/dbraw/zinc/49/60/07/993496007.db2.gz PQZMNLNBLQSXCX-NSHDSACASA-N 2 1 200.326 1.143 20 0 BDADMP CC[C@H](CO)[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001577090098 993497625 /nfs/dbraw/zinc/49/76/25/993497625.db2.gz PKQVVAFVISCWLI-UPJWGTAASA-N 2 1 226.364 1.208 20 0 BDADMP Cc1ccncc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000383665676 993513809 /nfs/dbraw/zinc/51/38/09/993513809.db2.gz MWTZNRSIVGMPOE-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)nc1 ZINC000384016295 993534020 /nfs/dbraw/zinc/53/40/20/993534020.db2.gz QLTYXWNTTDVMPI-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP CC[C@H]1C[C@@H](C[NH2+]CC[NH2+]C2CC2)CCO1 ZINC001577240727 993553344 /nfs/dbraw/zinc/55/33/44/993553344.db2.gz LQGRXGWRSFKJRG-AAEUAGOBSA-N 2 1 226.364 1.533 20 0 BDADMP CC[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC001577263958 993573848 /nfs/dbraw/zinc/57/38/48/993573848.db2.gz WBLVDIFUNPIVRQ-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CCC[C@@]1(CO)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001577371778 993625811 /nfs/dbraw/zinc/62/58/11/993625811.db2.gz LODVRSPGWKKYHF-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577446828 993664255 /nfs/dbraw/zinc/66/42/55/993664255.db2.gz ADHJFMWUUBQDOZ-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577446828 993664266 /nfs/dbraw/zinc/66/42/66/993664266.db2.gz ADHJFMWUUBQDOZ-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[NH2+]C(C)C ZINC001577510290 993668397 /nfs/dbraw/zinc/66/83/97/993668397.db2.gz IXAHYWNSYMTUDR-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP CCC[NH2+][C@H](C)C(=O)NCc1[nH]c(C)[nH+]c1C ZINC001577555038 993688142 /nfs/dbraw/zinc/68/81/42/993688142.db2.gz RUPNBZDRHWDHJF-SECBINFHSA-N 2 1 238.335 1.031 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)C(=O)OC ZINC001577600965 993693336 /nfs/dbraw/zinc/69/33/36/993693336.db2.gz XGDAXXXXTIMEPS-QJPTWQEYSA-N 2 1 242.363 1.306 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CC23CCOCC3)CC1 ZINC000386882580 993695652 /nfs/dbraw/zinc/69/56/52/993695652.db2.gz IQASGZYEYRDHEP-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC001577655151 993705356 /nfs/dbraw/zinc/70/53/56/993705356.db2.gz SXMYMLBZYKJMJG-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCCC[C@@H](C[NH3+])C2)C1 ZINC000390620862 993798459 /nfs/dbraw/zinc/79/84/59/993798459.db2.gz FPHNWTTUARZAMJ-STQMWFEESA-N 2 1 225.380 1.141 20 0 BDADMP CN1CCC[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC000390620862 993798467 /nfs/dbraw/zinc/79/84/67/993798467.db2.gz FPHNWTTUARZAMJ-STQMWFEESA-N 2 1 225.380 1.141 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC000390620862 993798475 /nfs/dbraw/zinc/79/84/75/993798475.db2.gz FPHNWTTUARZAMJ-STQMWFEESA-N 2 1 225.380 1.141 20 0 BDADMP CCCO[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701663359 993898195 /nfs/dbraw/zinc/89/81/95/993898195.db2.gz MWEYIHZUGWXTFW-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)(CO)CCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000393379027 993941554 /nfs/dbraw/zinc/94/15/54/993941554.db2.gz OMVIVMCFHKTCDU-NSHDSACASA-N 2 1 214.353 1.127 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001333190586 994425462 /nfs/dbraw/zinc/42/54/62/994425462.db2.gz MIALYLNKIFHFLK-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001333190586 994425470 /nfs/dbraw/zinc/42/54/70/994425470.db2.gz MIALYLNKIFHFLK-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001333190586 994425474 /nfs/dbraw/zinc/42/54/74/994425474.db2.gz MIALYLNKIFHFLK-MJBXVCDLSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001333190570 994426790 /nfs/dbraw/zinc/42/67/90/994426790.db2.gz MIALYLNKIFHFLK-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001333190570 994426797 /nfs/dbraw/zinc/42/67/97/994426797.db2.gz MIALYLNKIFHFLK-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001333190570 994426808 /nfs/dbraw/zinc/42/68/08/994426808.db2.gz MIALYLNKIFHFLK-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP Nc1nc(NC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC001336987249 995128687 /nfs/dbraw/zinc/12/86/87/995128687.db2.gz LQDZDBQBRDDRNA-UHFFFAOYSA-N 2 1 247.346 1.345 20 0 BDADMP Nc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc[nH+]1 ZINC001338030421 995225081 /nfs/dbraw/zinc/22/50/81/995225081.db2.gz YOKKVIUGRULFAQ-WDEREUQCSA-N 2 1 247.346 1.488 20 0 BDADMP Nc1nc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC001338030421 995225088 /nfs/dbraw/zinc/22/50/88/995225088.db2.gz YOKKVIUGRULFAQ-WDEREUQCSA-N 2 1 247.346 1.488 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000161711759 349489809 /nfs/dbraw/zinc/48/98/09/349489809.db2.gz GPYLKKFCILDCJS-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000161711759 349489810 /nfs/dbraw/zinc/48/98/10/349489810.db2.gz GPYLKKFCILDCJS-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000161711759 349489812 /nfs/dbraw/zinc/48/98/12/349489812.db2.gz GPYLKKFCILDCJS-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000161711759 349489814 /nfs/dbraw/zinc/48/98/14/349489814.db2.gz GPYLKKFCILDCJS-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)nc1 ZINC000161739143 349492026 /nfs/dbraw/zinc/49/20/26/349492026.db2.gz HEZRFWBDNBGOIA-OLZOCXBDSA-N 2 1 233.359 1.962 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@H]2CCCC[NH2+]2)n1 ZINC000257936212 349497655 /nfs/dbraw/zinc/49/76/55/349497655.db2.gz HOQFISCEPWQIDC-RKDXNWHRSA-N 2 1 224.308 1.035 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)on1 ZINC000367605565 178032785 /nfs/dbraw/zinc/03/27/85/178032785.db2.gz HGHRJPAZADTSJL-BFHYXJOUSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)on1 ZINC000367605565 178032786 /nfs/dbraw/zinc/03/27/86/178032786.db2.gz HGHRJPAZADTSJL-BFHYXJOUSA-N 2 1 249.358 1.945 20 0 BDADMP CO[C@](C)(C[NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000380115563 398187494 /nfs/dbraw/zinc/18/74/94/398187494.db2.gz LPOUXAMDPRMONK-CYBMUJFWSA-N 2 1 237.347 1.596 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000386750722 398219239 /nfs/dbraw/zinc/21/92/39/398219239.db2.gz GLZVNXHCCAOQHT-OLZOCXBDSA-N 2 1 236.363 1.169 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H](C)COC ZINC000163330702 538927868 /nfs/dbraw/zinc/92/78/68/538927868.db2.gz JDRARRRHJBWSNR-NWDGAFQWSA-N 2 1 216.369 1.589 20 0 BDADMP Cc1cc(NCC[N@H+](C)C2CC2)cc[nH+]1 ZINC000229566859 178159969 /nfs/dbraw/zinc/15/99/69/178159969.db2.gz BFCHETRGPHDZEI-UHFFFAOYSA-N 2 1 205.305 1.896 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000649413858 398211967 /nfs/dbraw/zinc/21/19/67/398211967.db2.gz NRBMPSOFPVMPGS-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cn[nH]c1 ZINC000649413593 398212192 /nfs/dbraw/zinc/21/21/92/398212192.db2.gz OCZCTJHDWIFVFO-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP Cc1cc(NCC[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000110793443 178163623 /nfs/dbraw/zinc/16/36/23/178163623.db2.gz OGGULVURDYESOF-GFCCVEGCSA-N 2 1 234.347 1.895 20 0 BDADMP Cc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc[nH+]1 ZINC000274778275 178179284 /nfs/dbraw/zinc/17/92/84/178179284.db2.gz CWFHDCPPAQNUMO-QWHCGFSZSA-N 2 1 249.358 1.911 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)c2ccccc21 ZINC000252790615 136227080 /nfs/dbraw/zinc/22/70/80/136227080.db2.gz SPKMGYPXRPRFBG-ZWKOPEQDSA-N 2 1 218.300 1.510 20 0 BDADMP CCC(CC)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309172537 168361779 /nfs/dbraw/zinc/36/17/79/168361779.db2.gz LRFLEXWKKJJIDR-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP CCC(CC)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309172537 168361782 /nfs/dbraw/zinc/36/17/82/168361782.db2.gz LRFLEXWKKJJIDR-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000576478935 365607679 /nfs/dbraw/zinc/60/76/79/365607679.db2.gz HRRNOARGODNPGL-UTUOFQBUSA-N 2 1 234.347 1.647 20 0 BDADMP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[C@H]1[NH3+] ZINC000576570198 365625807 /nfs/dbraw/zinc/62/58/07/365625807.db2.gz JGXBYNMARQTHQW-PSASIEDQSA-N 2 1 231.303 1.131 20 0 BDADMP CC[C@@H](C)[C@@H](C[NH2+]CCn1cc[nH+]c1C)OC ZINC000381325536 398251814 /nfs/dbraw/zinc/25/18/14/398251814.db2.gz XOQQLZQXCXROAH-DGCLKSJQSA-N 2 1 239.363 1.842 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000381577350 398263730 /nfs/dbraw/zinc/26/37/30/398263730.db2.gz CRQBZJBJIJHEAT-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000381577350 398263731 /nfs/dbraw/zinc/26/37/31/398263731.db2.gz CRQBZJBJIJHEAT-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309574655 342684892 /nfs/dbraw/zinc/68/48/92/342684892.db2.gz OHHGNIVJEWYEBJ-UPJWGTAASA-N 2 1 226.364 1.200 20 0 BDADMP CCOC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166565443 361853872 /nfs/dbraw/zinc/85/38/72/361853872.db2.gz DYGUCPCWRHIMJA-GFCCVEGCSA-N 2 1 216.369 1.731 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ncccc1F ZINC000583928842 342727749 /nfs/dbraw/zinc/72/77/49/342727749.db2.gz SPXUWDHIULKAOT-ZYHUDNBSSA-N 2 1 237.322 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000562280591 323014829 /nfs/dbraw/zinc/01/48/29/323014829.db2.gz DGPWQESEFRBNEA-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000381759657 539006932 /nfs/dbraw/zinc/00/69/32/539006932.db2.gz TULMXPDUFWDLFW-NWDGAFQWSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1C[N@H+](CCC[NH2+]C2CSC2)CCCO1 ZINC000390510313 539022714 /nfs/dbraw/zinc/02/27/14/539022714.db2.gz ZGJSDVJDXIYARW-NSHDSACASA-N 2 1 244.404 1.192 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392184295 539028174 /nfs/dbraw/zinc/02/81/74/539028174.db2.gz BTGSMQQEXPPXEV-ZIAGYGMSSA-N 2 1 238.375 1.796 20 0 BDADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000335644414 136243207 /nfs/dbraw/zinc/24/32/07/136243207.db2.gz VHGJKBXHXDXMCZ-KGLIPLIRSA-N 2 1 246.354 1.504 20 0 BDADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000382156176 398307893 /nfs/dbraw/zinc/30/78/93/398307893.db2.gz RILCYBSFLDJYGJ-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000036319189 342908855 /nfs/dbraw/zinc/90/88/55/342908855.db2.gz GWAXRLYEOLEJPM-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394341304 398336657 /nfs/dbraw/zinc/33/66/57/398336657.db2.gz XWFJNTRXAGGCNS-PIGZVRMJSA-N 2 1 240.391 1.704 20 0 BDADMP CCC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394341304 398336658 /nfs/dbraw/zinc/33/66/58/398336658.db2.gz XWFJNTRXAGGCNS-PIGZVRMJSA-N 2 1 240.391 1.704 20 0 BDADMP CCC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394341304 398336659 /nfs/dbraw/zinc/33/66/59/398336659.db2.gz XWFJNTRXAGGCNS-PIGZVRMJSA-N 2 1 240.391 1.704 20 0 BDADMP Cc1cnn(C)c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000352793355 398336859 /nfs/dbraw/zinc/33/68/59/398336859.db2.gz ORBLSAZCFSQZOG-GFCCVEGCSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352793355 398336860 /nfs/dbraw/zinc/33/68/60/398336860.db2.gz ORBLSAZCFSQZOG-GFCCVEGCSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000352793355 398336861 /nfs/dbraw/zinc/33/68/61/398336861.db2.gz ORBLSAZCFSQZOG-GFCCVEGCSA-N 2 1 248.374 1.302 20 0 BDADMP CC(C)(C)CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313344727 259333531 /nfs/dbraw/zinc/33/35/31/259333531.db2.gz QFCRRPQUYRPFHN-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP CCCCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313357860 259333601 /nfs/dbraw/zinc/33/36/01/259333601.db2.gz UIAXMBSBHMBPRN-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313350925 259334032 /nfs/dbraw/zinc/33/40/32/259334032.db2.gz LBYMDSPWBHLWAF-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](CCc2ccccc2)CCCO1 ZINC000313389050 259334425 /nfs/dbraw/zinc/33/44/25/259334425.db2.gz MHHBMZKJDKLKEQ-AWEZNQCLSA-N 2 1 234.343 1.279 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCc2ccccc2)CCCO1 ZINC000313389050 259334426 /nfs/dbraw/zinc/33/44/26/259334426.db2.gz MHHBMZKJDKLKEQ-AWEZNQCLSA-N 2 1 234.343 1.279 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853560 136258086 /nfs/dbraw/zinc/25/80/86/136258086.db2.gz PBDDZJGHUDDIKJ-ONGXEEELSA-N 2 1 237.347 1.715 20 0 BDADMP CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000308853884 259340070 /nfs/dbraw/zinc/34/00/70/259340070.db2.gz NOEDKIAXBLROIR-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000308853884 259340072 /nfs/dbraw/zinc/34/00/72/259340072.db2.gz NOEDKIAXBLROIR-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000308853884 259340075 /nfs/dbraw/zinc/34/00/75/259340075.db2.gz NOEDKIAXBLROIR-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000308853884 259340077 /nfs/dbraw/zinc/34/00/77/259340077.db2.gz NOEDKIAXBLROIR-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650606 343061013 /nfs/dbraw/zinc/06/10/13/343061013.db2.gz QDUWEQHXNPBOCT-NSHDSACASA-N 2 1 223.320 1.073 20 0 BDADMP CC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650606 343061014 /nfs/dbraw/zinc/06/10/14/343061014.db2.gz QDUWEQHXNPBOCT-NSHDSACASA-N 2 1 223.320 1.073 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000576838962 365702412 /nfs/dbraw/zinc/70/24/12/365702412.db2.gz XEQAKTCJDFIHGE-BFHYXJOUSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000131516454 343183859 /nfs/dbraw/zinc/18/38/59/343183859.db2.gz HUFLUVPXIPNYGN-FZMZJTMJSA-N 2 1 246.354 1.933 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000124526177 343162601 /nfs/dbraw/zinc/16/26/01/343162601.db2.gz WXYQMFJHQZTXEE-MFKMUULPSA-N 2 1 247.342 1.097 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000308885360 346929607 /nfs/dbraw/zinc/92/96/07/346929607.db2.gz WSCFQUHJSCVBQQ-CMPLNLGQSA-N 2 1 228.405 1.812 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(C)(C)O)CC[C@H]21 ZINC000088091298 136284585 /nfs/dbraw/zinc/28/45/85/136284585.db2.gz GGQHODPQEGBCAE-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CC(C)(C)O)CC[C@H]21 ZINC000088091298 136284586 /nfs/dbraw/zinc/28/45/86/136284586.db2.gz GGQHODPQEGBCAE-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(C)(C)O)CC[C@H]21 ZINC000088091298 136284587 /nfs/dbraw/zinc/28/45/87/136284587.db2.gz GGQHODPQEGBCAE-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)O1 ZINC000634687970 343245909 /nfs/dbraw/zinc/24/59/09/343245909.db2.gz DYANPEMMQNLHTO-SYLRKERUSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)O1 ZINC000634687970 343245910 /nfs/dbraw/zinc/24/59/10/343245910.db2.gz DYANPEMMQNLHTO-SYLRKERUSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000634688271 343246498 /nfs/dbraw/zinc/24/64/98/343246498.db2.gz NMJDQOAJACJEDG-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)O1 ZINC000634688068 343247167 /nfs/dbraw/zinc/24/71/67/343247167.db2.gz HEBOOCKBNCQPES-LPWJVIDDSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)O1 ZINC000634688068 343247168 /nfs/dbraw/zinc/24/71/68/343247168.db2.gz HEBOOCKBNCQPES-LPWJVIDDSA-N 2 1 224.348 1.367 20 0 BDADMP COCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626469 343286143 /nfs/dbraw/zinc/28/61/43/343286143.db2.gz PRSDEBFVJRMSHM-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP Cc1[nH+]ccn1CCCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000348757459 136297359 /nfs/dbraw/zinc/29/73/59/136297359.db2.gz VPVZWPVUMDJPCI-AWEZNQCLSA-N 2 1 248.374 1.408 20 0 BDADMP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000335644283 136304039 /nfs/dbraw/zinc/30/40/39/136304039.db2.gz RRURDIVHGDGFRY-OLZOCXBDSA-N 2 1 246.354 1.504 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2cccnc2)CC1 ZINC000037717658 343352316 /nfs/dbraw/zinc/35/23/16/343352316.db2.gz QMIDIQVAOSBIOM-UHFFFAOYSA-N 2 1 219.332 1.308 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000166217750 136309946 /nfs/dbraw/zinc/30/99/46/136309946.db2.gz BVLRQCZWGMHSIS-JQWIXIFHSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000166220413 136310592 /nfs/dbraw/zinc/31/05/92/136310592.db2.gz KYMIKIXLQDAFNU-DTWKUNHWSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000166220413 136310593 /nfs/dbraw/zinc/31/05/93/136310593.db2.gz KYMIKIXLQDAFNU-DTWKUNHWSA-N 2 1 240.269 1.234 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCOCC12CCC2 ZINC000335689317 136324363 /nfs/dbraw/zinc/32/43/63/136324363.db2.gz SUURMIJCNHSUSW-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCCn1ccnc1 ZINC000349423415 136346003 /nfs/dbraw/zinc/34/60/03/136346003.db2.gz XGCBTJUGGUPFEY-NEPJUHHUSA-N 2 1 207.321 1.861 20 0 BDADMP CC[C@H]([NH3+])c1cn(CCCn2cc[nH+]c2C)nn1 ZINC000641150143 362240530 /nfs/dbraw/zinc/24/05/30/362240530.db2.gz WJRCMOHUGFXIMZ-NSHDSACASA-N 2 1 248.334 1.283 20 0 BDADMP C[NH2+][C@H](C)c1cn(CCCn2cc[nH+]c2C)nn1 ZINC000641150197 362240854 /nfs/dbraw/zinc/24/08/54/362240854.db2.gz ZFBWMTIOOOIQLK-SNVBAGLBSA-N 2 1 248.334 1.154 20 0 BDADMP COCCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082601494 343454402 /nfs/dbraw/zinc/45/44/02/343454402.db2.gz YTYARQKSETUOKI-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP Cc1nccn1CC[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351100604 136367525 /nfs/dbraw/zinc/36/75/25/136367525.db2.gz NDCUKYDVKATVSY-ZDUSSCGKSA-N 2 1 237.347 1.548 20 0 BDADMP Cc1nccn1CCN1CCO[C@H](C(C)C)C1 ZINC000351100604 136367526 /nfs/dbraw/zinc/36/75/26/136367526.db2.gz NDCUKYDVKATVSY-ZDUSSCGKSA-N 2 1 237.347 1.548 20 0 BDADMP C[C@H]1CCCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351605140 136369924 /nfs/dbraw/zinc/36/99/24/136369924.db2.gz NHVUNVRJRPTUPA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351605140 136369925 /nfs/dbraw/zinc/36/99/25/136369925.db2.gz NHVUNVRJRPTUPA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351605140 136369926 /nfs/dbraw/zinc/36/99/26/136369926.db2.gz NHVUNVRJRPTUPA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351605140 136369927 /nfs/dbraw/zinc/36/99/27/136369927.db2.gz NHVUNVRJRPTUPA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CCOCCC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000083551605 343490542 /nfs/dbraw/zinc/49/05/42/343490542.db2.gz SIWHQOWDFHFOPO-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000083551605 343490544 /nfs/dbraw/zinc/49/05/44/343490544.db2.gz SIWHQOWDFHFOPO-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000084011162 343513573 /nfs/dbraw/zinc/51/35/73/343513573.db2.gz WAUSXUQVEHCCKT-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccc(C[C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000084011162 343513575 /nfs/dbraw/zinc/51/35/75/343513575.db2.gz WAUSXUQVEHCCKT-AWEZNQCLSA-N 2 1 218.344 1.961 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CSC2)C1 ZINC000390001023 537787513 /nfs/dbraw/zinc/78/75/13/537787513.db2.gz SVBBJVJHHZIFEZ-NSHDSACASA-N 2 1 228.405 1.812 20 0 BDADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000570274619 323054607 /nfs/dbraw/zinc/05/46/07/323054607.db2.gz UXQQIRAUNFEBKI-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc2c1OCC2 ZINC000096477832 343746619 /nfs/dbraw/zinc/74/66/19/343746619.db2.gz KSOMJVRYCGZNEI-ZIAGYGMSSA-N 2 1 244.338 1.273 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](C)(O)C1 ZINC000179253167 346978673 /nfs/dbraw/zinc/97/86/73/346978673.db2.gz TYMUDTRPFLVLEP-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](C)(O)C1 ZINC000179253167 346978675 /nfs/dbraw/zinc/97/86/75/346978675.db2.gz TYMUDTRPFLVLEP-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP CCC[C@@H]([NH3+])c1cn(CCc2c[nH+]cn2C)nn1 ZINC000641175455 362252541 /nfs/dbraw/zinc/25/25/41/362252541.db2.gz SHVDAQCWEBNYSS-LLVKDONJSA-N 2 1 248.334 1.054 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000252714954 534958831 /nfs/dbraw/zinc/95/88/31/534958831.db2.gz UEARPKZPHJVKFD-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@]1(C[N@@H+]2CCO[C@H](C(F)F)CC2)CC[NH2+]C1 ZINC000634732367 344107194 /nfs/dbraw/zinc/10/71/94/344107194.db2.gz DUAYGUIMOVOFFG-CMPLNLGQSA-N 2 1 248.317 1.342 20 0 BDADMP C[C@@]1(C[N@H+]2CCO[C@H](C(F)F)CC2)CC[NH2+]C1 ZINC000634732367 344107195 /nfs/dbraw/zinc/10/71/95/344107195.db2.gz DUAYGUIMOVOFFG-CMPLNLGQSA-N 2 1 248.317 1.342 20 0 BDADMP CC[C@@H]([NH2+]Cc1c[nH]cn1)[C@H]1CCCO1 ZINC000126313515 344175349 /nfs/dbraw/zinc/17/53/49/344175349.db2.gz GZCDWVNGNZDNNI-GHMZBOCLSA-N 2 1 209.293 1.457 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130248866 344219826 /nfs/dbraw/zinc/21/98/26/344219826.db2.gz PRJKEOUJVZLPTB-SDDRHHMPSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092073881 344288437 /nfs/dbraw/zinc/28/84/37/344288437.db2.gz UJSPNIWNYMJFGR-NSHDSACASA-N 2 1 245.330 1.821 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)C1 ZINC000093210554 344311888 /nfs/dbraw/zinc/31/18/88/344311888.db2.gz HQHPCNWMXYSCBI-MNOVXSKESA-N 2 1 245.330 1.089 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000093216023 344312741 /nfs/dbraw/zinc/31/27/41/344312741.db2.gz FLWDBVYMNUMRIK-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000306654250 344356963 /nfs/dbraw/zinc/35/69/63/344356963.db2.gz HKSUAEQAFKTWRA-UHFFFAOYSA-N 2 1 234.343 1.233 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)COC(C)C)CC1 ZINC000309645120 344423949 /nfs/dbraw/zinc/42/39/49/344423949.db2.gz MANOIPTWHMHYNK-GFCCVEGCSA-N 2 1 228.380 1.874 20 0 BDADMP C(=C\c1ccccc1)\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000215477312 344443413 /nfs/dbraw/zinc/44/34/13/344443413.db2.gz BVOPXUCMTLNRSJ-UILWWFOHSA-N 2 1 228.339 1.851 20 0 BDADMP C(=C\c1ccccc1)\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000215477312 344443416 /nfs/dbraw/zinc/44/34/16/344443416.db2.gz BVOPXUCMTLNRSJ-UILWWFOHSA-N 2 1 228.339 1.851 20 0 BDADMP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000381312339 344494874 /nfs/dbraw/zinc/49/48/74/344494874.db2.gz LXQJQXWPKQWJMG-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000381312322 344495135 /nfs/dbraw/zinc/49/51/35/344495135.db2.gz LXQJQXWPKQWJMG-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158242508 344569907 /nfs/dbraw/zinc/56/99/07/344569907.db2.gz WDUPICAVDWSCGT-WDEREUQCSA-N 2 1 242.363 1.258 20 0 BDADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158242364 344571931 /nfs/dbraw/zinc/57/19/31/344571931.db2.gz WDUPICAVDWSCGT-GHMZBOCLSA-N 2 1 242.363 1.258 20 0 BDADMP Cn1cncc1CCC[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000577504976 344533800 /nfs/dbraw/zinc/53/38/00/344533800.db2.gz AAOMFXDGBUZTHE-ZIAGYGMSSA-N 2 1 249.358 1.606 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000577504976 344533801 /nfs/dbraw/zinc/53/38/01/344533801.db2.gz AAOMFXDGBUZTHE-ZIAGYGMSSA-N 2 1 249.358 1.606 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1CSC ZINC000399985259 344747080 /nfs/dbraw/zinc/74/70/80/344747080.db2.gz BJJQRHCRPFSSMG-JTQLQIEISA-N 2 1 202.367 1.423 20 0 BDADMP C[C@@]1(CNC(N)=[NH2+])CCC[N@H+]1Cc1ccccc1 ZINC000153556025 344902543 /nfs/dbraw/zinc/90/25/43/344902543.db2.gz WRLWIUSNGBUKGI-AWEZNQCLSA-N 2 1 246.358 1.524 20 0 BDADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154261341 345022459 /nfs/dbraw/zinc/02/24/59/345022459.db2.gz WDUFQMYNGHBXIP-DOMZBBRYSA-N 2 1 248.370 1.494 20 0 BDADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154395538 345030440 /nfs/dbraw/zinc/03/04/40/345030440.db2.gz CIYTYAKMTKEBFK-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cccc(CC[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000634995449 345184931 /nfs/dbraw/zinc/18/49/31/345184931.db2.gz FFSORFQODOJVDZ-UHFFFAOYSA-N 2 1 230.355 1.879 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CC[N@H+]1C ZINC000156172342 345131550 /nfs/dbraw/zinc/13/15/50/345131550.db2.gz SGWHYFWEQYNJHH-CHWSQXEVSA-N 3 1 227.396 1.401 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CCN1C ZINC000156172342 345131553 /nfs/dbraw/zinc/13/15/53/345131553.db2.gz SGWHYFWEQYNJHH-CHWSQXEVSA-N 2 1 227.396 1.401 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CC[N@H+]1C ZINC000156172698 345131928 /nfs/dbraw/zinc/13/19/28/345131928.db2.gz SGWHYFWEQYNJHH-STQMWFEESA-N 3 1 227.396 1.401 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CCN1C ZINC000156172698 345131932 /nfs/dbraw/zinc/13/19/32/345131932.db2.gz SGWHYFWEQYNJHH-STQMWFEESA-N 2 1 227.396 1.401 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156155174 345133952 /nfs/dbraw/zinc/13/39/52/345133952.db2.gz ZCPWBDBCAZWYII-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156204108 345136303 /nfs/dbraw/zinc/13/63/03/345136303.db2.gz RBNTUYMZLJMOLR-DGCLKSJQSA-N 3 1 236.363 1.264 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)CC[N@@H+]1C ZINC000156279367 345144323 /nfs/dbraw/zinc/14/43/23/345144323.db2.gz VRXIGMVXZWRJLO-IJLUTSLNSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)CC[N@H+]1C ZINC000156279367 345144326 /nfs/dbraw/zinc/14/43/26/345144326.db2.gz VRXIGMVXZWRJLO-IJLUTSLNSA-N 2 1 212.337 1.238 20 0 BDADMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000157152017 345246989 /nfs/dbraw/zinc/24/69/89/345246989.db2.gz HTXFLXZLKOLJKG-LLVKDONJSA-N 2 1 237.347 1.520 20 0 BDADMP CO[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC[C@H]1C ZINC000634993825 345191966 /nfs/dbraw/zinc/19/19/66/345191966.db2.gz HLRPRWYXPGDLMQ-CQLXCSJHSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC[C@H]1C ZINC000634993825 345191969 /nfs/dbraw/zinc/19/19/69/345191969.db2.gz HLRPRWYXPGDLMQ-CQLXCSJHSA-N 2 1 224.348 1.095 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CC12CC(C1)CN2 ZINC000634994076 345192774 /nfs/dbraw/zinc/19/27/74/345192774.db2.gz PTGZJMYIBNELDS-GMKTYKIGSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC12CC(C1)CN2 ZINC000634994076 345192776 /nfs/dbraw/zinc/19/27/76/345192776.db2.gz PTGZJMYIBNELDS-GMKTYKIGSA-N 2 1 208.349 1.859 20 0 BDADMP c1ccc2c(c1)C[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CN2 ZINC000634996761 345193169 /nfs/dbraw/zinc/19/31/69/345193169.db2.gz UNQRPSMVYFZSBC-GLWUULTISA-N 2 1 243.354 1.365 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634997144 345193918 /nfs/dbraw/zinc/19/39/18/345193918.db2.gz DXVGHKZBRYWQGF-MCIONIFRSA-N 3 1 239.407 1.149 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634997144 345193919 /nfs/dbraw/zinc/19/39/19/345193919.db2.gz DXVGHKZBRYWQGF-MCIONIFRSA-N 3 1 239.407 1.149 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000635004286 345207863 /nfs/dbraw/zinc/20/78/63/345207863.db2.gz NXZMJUYKXSSPIN-GHMZBOCLSA-N 2 1 237.347 1.696 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000635006517 345210465 /nfs/dbraw/zinc/21/04/65/345210465.db2.gz RRVRCXAQFAVIGC-IIRVCBMXSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cnccn1 ZINC000635010013 345211842 /nfs/dbraw/zinc/21/18/42/345211842.db2.gz IQPIIOMCXIRACH-NWDGAFQWSA-N 2 1 248.374 1.905 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cnccn1 ZINC000635010009 345211971 /nfs/dbraw/zinc/21/19/71/345211971.db2.gz IQPIIOMCXIRACH-NEPJUHHUSA-N 2 1 248.374 1.905 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1c[nH+]ccc1N ZINC000635007734 345214929 /nfs/dbraw/zinc/21/49/29/345214929.db2.gz XNOCSLDUKSXTQT-SRVKXCTJSA-N 3 1 248.374 1.662 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008431 345216163 /nfs/dbraw/zinc/21/61/63/345216163.db2.gz UFMRDWNOASOIII-SRVKXCTJSA-N 3 1 227.396 1.480 20 0 BDADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)C ZINC000151373070 345340496 /nfs/dbraw/zinc/34/04/96/345340496.db2.gz KESPXCFXAJWEKY-AWEZNQCLSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000158684759 345363696 /nfs/dbraw/zinc/36/36/96/345363696.db2.gz HPPXMLGVMLDJHV-STQMWFEESA-N 2 1 208.349 1.813 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000093770232 345664448 /nfs/dbraw/zinc/66/44/48/345664448.db2.gz INLGRPWUHUBNLQ-CQSZACIVSA-N 2 1 235.375 1.799 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000093770232 345664451 /nfs/dbraw/zinc/66/44/51/345664451.db2.gz INLGRPWUHUBNLQ-CQSZACIVSA-N 2 1 235.375 1.799 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000093770232 345664456 /nfs/dbraw/zinc/66/44/56/345664456.db2.gz INLGRPWUHUBNLQ-CQSZACIVSA-N 2 1 235.375 1.799 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000093770232 345664460 /nfs/dbraw/zinc/66/44/60/345664460.db2.gz INLGRPWUHUBNLQ-CQSZACIVSA-N 2 1 235.375 1.799 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)CO ZINC000230842480 345751838 /nfs/dbraw/zinc/75/18/38/345751838.db2.gz ISCPARBNSHSZDP-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1C[NH2+]C1 ZINC000307654539 345878225 /nfs/dbraw/zinc/87/82/25/345878225.db2.gz MRZMLAYKNHIFNP-SWLSCSKDSA-N 2 1 245.370 1.068 20 0 BDADMP CC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000380306249 346024495 /nfs/dbraw/zinc/02/44/95/346024495.db2.gz FQYMYRFWFVXBNJ-LLVKDONJSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1CC[N@@H+](CCn2ccnc2)CCS1 ZINC000192191419 346080518 /nfs/dbraw/zinc/08/05/18/346080518.db2.gz YQPUTCYPINBNDT-LLVKDONJSA-N 2 1 225.361 1.711 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635948056 346120146 /nfs/dbraw/zinc/12/01/46/346120146.db2.gz QCOHQVVKDPGAHE-NWDGAFQWSA-N 2 1 243.395 1.173 20 0 BDADMP Cc1cccc(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000096811120 179036140 /nfs/dbraw/zinc/03/61/40/179036140.db2.gz MDOCYSXRSQJNGP-OKILXGFUSA-N 2 1 230.355 1.955 20 0 BDADMP Cc1ncc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000628280761 346291496 /nfs/dbraw/zinc/29/14/96/346291496.db2.gz GMBGCDPPSISERP-GXFFZTMASA-N 2 1 237.347 1.755 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccccn1 ZINC000574910786 346409588 /nfs/dbraw/zinc/40/95/88/346409588.db2.gz IYHOUPWUNPAXQO-LLVKDONJSA-N 2 1 207.321 1.732 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419202145 192102779 /nfs/dbraw/zinc/10/27/79/192102779.db2.gz GFGHVAMDIGXIKM-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419202145 192102781 /nfs/dbraw/zinc/10/27/81/192102781.db2.gz GFGHVAMDIGXIKM-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP FC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000381614396 346434100 /nfs/dbraw/zinc/43/41/00/346434100.db2.gz UIBZHORDXYCOAA-UHFFFAOYSA-N 2 1 226.339 1.953 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358158635 179093637 /nfs/dbraw/zinc/09/36/37/179093637.db2.gz BAZVYOIDKZMDQU-AWEZNQCLSA-N 2 1 234.343 1.151 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358158635 179093639 /nfs/dbraw/zinc/09/36/39/179093639.db2.gz BAZVYOIDKZMDQU-AWEZNQCLSA-N 2 1 234.343 1.151 20 0 BDADMP CCCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803769 362761568 /nfs/dbraw/zinc/76/15/68/362761568.db2.gz HHDDOGBSNSFLFU-DCAQKATOSA-N 2 1 241.379 1.007 20 0 BDADMP CC1(C)[C@H](N)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000641804299 362761643 /nfs/dbraw/zinc/76/16/43/362761643.db2.gz YAIIFWLYRXEFST-IJLUTSLNSA-N 2 1 225.380 1.092 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000053034279 346509752 /nfs/dbraw/zinc/50/97/52/346509752.db2.gz HYFCTQWNMWLAGB-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP CC[C@H](C)[N@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000580096580 346521810 /nfs/dbraw/zinc/52/18/10/346521810.db2.gz JYKUXLROOBLJCI-NSHDSACASA-N 2 1 238.379 1.548 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000580096580 346521812 /nfs/dbraw/zinc/52/18/12/346521812.db2.gz JYKUXLROOBLJCI-NSHDSACASA-N 2 1 238.379 1.548 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801711 362756216 /nfs/dbraw/zinc/75/62/16/362756216.db2.gz FBNYFUNSDSZTMF-RYUDHWBXSA-N 2 1 237.347 1.761 20 0 BDADMP CC1(C)[C@H](N)C[C@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000641802003 362758682 /nfs/dbraw/zinc/75/86/82/362758682.db2.gz XNWSHNRESAULLC-CHWSQXEVSA-N 2 1 239.407 1.482 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000641804067 362761096 /nfs/dbraw/zinc/76/10/96/362761096.db2.gz AJMNCJYMPIUZOI-ZOBORPQBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000641804067 362761099 /nfs/dbraw/zinc/76/10/99/362761099.db2.gz AJMNCJYMPIUZOI-ZOBORPQBSA-N 2 1 239.407 1.434 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2(O)CCCC2)C1 ZINC000577172233 365854449 /nfs/dbraw/zinc/85/44/49/365854449.db2.gz MRJWIJGTMPUYKG-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP CC1(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000622004118 370652617 /nfs/dbraw/zinc/65/26/17/370652617.db2.gz KOBCUQOJUAOGIC-YPMHNXCESA-N 2 1 208.349 1.990 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622005078 370655575 /nfs/dbraw/zinc/65/55/75/370655575.db2.gz YIMYEPSBENNWBS-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCSC1)C2 ZINC000622004896 370655600 /nfs/dbraw/zinc/65/56/00/370655600.db2.gz WEEJOJWXRHUDEU-SRVKXCTJSA-N 2 1 226.389 1.553 20 0 BDADMP Cn1c[nH+]cc1CCN1CCCCC[C@H]([NH3+])C1 ZINC000641823553 362773099 /nfs/dbraw/zinc/77/30/99/362773099.db2.gz RPJPDGFANLKUKW-LBPRGKRZSA-N 2 1 236.363 1.166 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000601326799 347210126 /nfs/dbraw/zinc/21/01/26/347210126.db2.gz PVCQKLRRGXVBFS-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333185 347225337 /nfs/dbraw/zinc/22/53/37/347225337.db2.gz CCNZNHYPWJPLMW-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000380705459 347249622 /nfs/dbraw/zinc/24/96/22/347249622.db2.gz LVUYFVGNAASBBX-ZWNOBZJWSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000380705459 347249625 /nfs/dbraw/zinc/24/96/25/347249625.db2.gz LVUYFVGNAASBBX-ZWNOBZJWSA-N 2 1 219.332 1.702 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000388251502 347266793 /nfs/dbraw/zinc/26/67/93/347266793.db2.gz WXNJAZXETYJUAF-VTPLQMEGSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000388251502 347266794 /nfs/dbraw/zinc/26/67/94/347266794.db2.gz WXNJAZXETYJUAF-VTPLQMEGSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000388251501 347266803 /nfs/dbraw/zinc/26/68/03/347266803.db2.gz WXNJAZXETYJUAF-IMIFBBOLSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000388251501 347266807 /nfs/dbraw/zinc/26/68/07/347266807.db2.gz WXNJAZXETYJUAF-IMIFBBOLSA-N 2 1 240.391 1.872 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccnc(N)c3)C2)C1 ZINC000310880191 347318614 /nfs/dbraw/zinc/31/86/14/347318614.db2.gz WIJYXKSWQMNJMM-CQSZACIVSA-N 2 1 246.358 1.191 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccnc(N)c3)C2)C1 ZINC000310880191 347318617 /nfs/dbraw/zinc/31/86/17/347318617.db2.gz WIJYXKSWQMNJMM-CQSZACIVSA-N 2 1 246.358 1.191 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccnc(N)c3)C2)C1 ZINC000310880191 347318619 /nfs/dbraw/zinc/31/86/19/347318619.db2.gz WIJYXKSWQMNJMM-CQSZACIVSA-N 2 1 246.358 1.191 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccnc(N)c3)C2)C1 ZINC000310880191 347318621 /nfs/dbraw/zinc/31/86/21/347318621.db2.gz WIJYXKSWQMNJMM-CQSZACIVSA-N 2 1 246.358 1.191 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000082366159 347361365 /nfs/dbraw/zinc/36/13/65/347361365.db2.gz MZGSSKDKZXXLQK-ZDUSSCGKSA-N 2 1 219.332 1.785 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccccc2)CCOCC1 ZINC000149781973 347518378 /nfs/dbraw/zinc/51/83/78/347518378.db2.gz LSMNHTVFNORFIH-UHFFFAOYSA-N 2 1 220.316 1.284 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)O1 ZINC000149795094 347521522 /nfs/dbraw/zinc/52/15/22/347521522.db2.gz HJFQXFQBAMJLED-WHOHXGKFSA-N 2 1 212.337 1.223 20 0 BDADMP Cc1cccc(N2CCC([C@H](C)[NH3+])CC2)[nH+]1 ZINC000082479219 347623891 /nfs/dbraw/zinc/62/38/91/347623891.db2.gz FMYHUZDOAUEJIQ-NSHDSACASA-N 2 1 219.332 1.954 20 0 BDADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000591272376 347636589 /nfs/dbraw/zinc/63/65/89/347636589.db2.gz FTUUJEJHRDRZNB-LLVKDONJSA-N 2 1 242.363 1.246 20 0 BDADMP CC[C@H]1C[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC000414894044 323151836 /nfs/dbraw/zinc/15/18/36/323151836.db2.gz RZLMJEQQGVATAN-AVGNSLFASA-N 2 1 226.364 1.533 20 0 BDADMP C1=C(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)COCC1 ZINC000176828681 365908629 /nfs/dbraw/zinc/90/86/29/365908629.db2.gz NEQBUNGWYHEYRY-LBPRGKRZSA-N 2 1 236.359 1.407 20 0 BDADMP CCCC[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000308454121 347668881 /nfs/dbraw/zinc/66/88/81/347668881.db2.gz AVFPVQYEKNXFBW-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000308454121 347668884 /nfs/dbraw/zinc/66/88/84/347668884.db2.gz AVFPVQYEKNXFBW-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP CCCC[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000308454121 347668886 /nfs/dbraw/zinc/66/88/86/347668886.db2.gz AVFPVQYEKNXFBW-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP CCCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000308454121 347668889 /nfs/dbraw/zinc/66/88/89/347668889.db2.gz AVFPVQYEKNXFBW-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP COC(=O)c1coc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000592438875 347778958 /nfs/dbraw/zinc/77/89/58/347778958.db2.gz RLCUASXKNWQSPI-RKDXNWHRSA-N 2 1 240.303 1.282 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000577382992 365940156 /nfs/dbraw/zinc/94/01/56/365940156.db2.gz IMLYCSKVDLUQGK-CABCVRRESA-N 2 1 248.370 1.929 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000228358073 179373023 /nfs/dbraw/zinc/37/30/23/179373023.db2.gz FQJFFGJVACAOKI-QWHCGFSZSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000070909042 179375841 /nfs/dbraw/zinc/37/58/41/179375841.db2.gz MSDFBFGAHOITEZ-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000070909042 179375842 /nfs/dbraw/zinc/37/58/42/179375842.db2.gz MSDFBFGAHOITEZ-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cccnc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292204506 179377471 /nfs/dbraw/zinc/37/74/71/179377471.db2.gz SMYSGJCQFFLHBH-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cccnc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292204506 179377473 /nfs/dbraw/zinc/37/74/73/179377473.db2.gz SMYSGJCQFFLHBH-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292204506 179377475 /nfs/dbraw/zinc/37/74/75/179377475.db2.gz SMYSGJCQFFLHBH-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292204506 179377476 /nfs/dbraw/zinc/37/74/76/179377476.db2.gz SMYSGJCQFFLHBH-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])O1 ZINC000251557650 362885563 /nfs/dbraw/zinc/88/55/63/362885563.db2.gz AEPSZJSPSCWIPF-UMSGYPCISA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])O1 ZINC000251557650 362885570 /nfs/dbraw/zinc/88/55/70/362885570.db2.gz AEPSZJSPSCWIPF-UMSGYPCISA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)O1 ZINC000397477218 362888054 /nfs/dbraw/zinc/88/80/54/362888054.db2.gz IEYINBGWWCEONU-PDWCTOEPSA-N 2 1 240.391 1.859 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@H]2CCSC2)C[C@@H]1[NH3+] ZINC000251597860 362889138 /nfs/dbraw/zinc/88/91/38/362889138.db2.gz GBAPNXRLFNLRTC-UTLUCORTSA-N 2 1 200.351 1.161 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCSC2)C[C@@H]1[NH3+] ZINC000251597860 362889142 /nfs/dbraw/zinc/88/91/42/362889142.db2.gz GBAPNXRLFNLRTC-UTLUCORTSA-N 2 1 200.351 1.161 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251622233 362891753 /nfs/dbraw/zinc/89/17/53/362891753.db2.gz DLLWRGKRARTPHQ-YIPFDTCYSA-N 2 1 238.375 1.769 20 0 BDADMP CCC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669381995 538002354 /nfs/dbraw/zinc/00/23/54/538002354.db2.gz CWZOHZYLUMYOSC-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623488013 362911341 /nfs/dbraw/zinc/91/13/41/362911341.db2.gz DRSOOGCEJVNYBN-VXGBXAGGSA-N 2 1 244.379 1.110 20 0 BDADMP COC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623488011 362911497 /nfs/dbraw/zinc/91/14/97/362911497.db2.gz DRSOOGCEJVNYBN-NWDGAFQWSA-N 2 1 244.379 1.110 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496854 362920582 /nfs/dbraw/zinc/92/05/82/362920582.db2.gz NJQVJLCYKATMGS-RYUDHWBXSA-N 2 1 228.380 1.874 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623504348 362928804 /nfs/dbraw/zinc/92/88/04/362928804.db2.gz KLBUXXFZUJCILP-SRVKXCTJSA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)c1cc(N2CC[NH2+]CC2)nc(N(C)C)[nH+]1 ZINC000420117271 192162762 /nfs/dbraw/zinc/16/27/62/192162762.db2.gz HFIIVOIFYDNILO-UHFFFAOYSA-N 2 1 249.362 1.076 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000308877779 349016475 /nfs/dbraw/zinc/01/64/75/349016475.db2.gz OFGFKWPVDFMULF-JTQLQIEISA-N 2 1 200.301 1.420 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000308877779 349016478 /nfs/dbraw/zinc/01/64/78/349016478.db2.gz OFGFKWPVDFMULF-JTQLQIEISA-N 2 1 200.301 1.420 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000252768814 349213571 /nfs/dbraw/zinc/21/35/71/349213571.db2.gz HFNDQTUVSPPCSD-QJPTWQEYSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CO1 ZINC000402064102 349288862 /nfs/dbraw/zinc/28/88/62/349288862.db2.gz VMEFTOBJIZPZBJ-XXSPCDMZSA-N 2 1 232.327 1.898 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000309020168 349305540 /nfs/dbraw/zinc/30/55/40/349305540.db2.gz UCIBYDMBKMJMBO-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000309020168 349305549 /nfs/dbraw/zinc/30/55/49/349305549.db2.gz UCIBYDMBKMJMBO-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000309020168 349305551 /nfs/dbraw/zinc/30/55/51/349305551.db2.gz UCIBYDMBKMJMBO-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000070837101 350067820 /nfs/dbraw/zinc/06/78/20/350067820.db2.gz DFKKZGFUPXDPTR-WPRPVWTQSA-N 2 1 225.361 1.763 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000070837101 350067821 /nfs/dbraw/zinc/06/78/21/350067821.db2.gz DFKKZGFUPXDPTR-WPRPVWTQSA-N 2 1 225.361 1.763 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000132427680 191033413 /nfs/dbraw/zinc/03/34/13/191033413.db2.gz MTHINVHAJPAYTJ-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)CC[N@H+]1C ZINC000132836230 191035763 /nfs/dbraw/zinc/03/57/63/191035763.db2.gz LOOBJBFPGJOIDU-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP COC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000133117427 191036242 /nfs/dbraw/zinc/03/62/42/191036242.db2.gz IXZXSASEZCPMER-UHFFFAOYSA-N 2 1 200.326 1.095 20 0 BDADMP CCOCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422735058 192447292 /nfs/dbraw/zinc/44/72/92/192447292.db2.gz UKJFDNAETIIDQJ-GHMZBOCLSA-N 2 1 200.326 1.001 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(CC)(CC)CC ZINC000309199258 350168051 /nfs/dbraw/zinc/16/80/51/350168051.db2.gz BDEZUFMQTRZZPD-GFCCVEGCSA-N 2 1 230.396 1.857 20 0 BDADMP C[C@@H]([N@H+](C)CCCc1c[nH+]cn1C)C(C)(C)O ZINC000314057846 350165493 /nfs/dbraw/zinc/16/54/93/350165493.db2.gz VCYPJHGZLOUIBL-LLVKDONJSA-N 2 1 239.363 1.444 20 0 BDADMP C[C@@H]([N@@H+](C)CCCc1c[nH+]cn1C)C(C)(C)O ZINC000314057846 350165496 /nfs/dbraw/zinc/16/54/96/350165496.db2.gz VCYPJHGZLOUIBL-LLVKDONJSA-N 2 1 239.363 1.444 20 0 BDADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000314858175 350175203 /nfs/dbraw/zinc/17/52/03/350175203.db2.gz JCCVADBRJXWMER-CYBMUJFWSA-N 2 1 239.363 1.613 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)o1 ZINC000333771492 180157270 /nfs/dbraw/zinc/15/72/70/180157270.db2.gz RLASHEFYSJEGPH-BFHYXJOUSA-N 2 1 249.358 1.993 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000228076499 180146672 /nfs/dbraw/zinc/14/66/72/180146672.db2.gz CSDMFMUZWMTKSO-SCZZXKLOSA-N 2 1 225.361 1.621 20 0 BDADMP C[C@@H](O)CC[N@H+](C)CCCc1c[nH+]cn1C ZINC000315089168 350183197 /nfs/dbraw/zinc/18/31/97/350183197.db2.gz ODSHZOTXXUMXDP-LLVKDONJSA-N 2 1 225.336 1.055 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000315089168 350183199 /nfs/dbraw/zinc/18/31/99/350183199.db2.gz ODSHZOTXXUMXDP-LLVKDONJSA-N 2 1 225.336 1.055 20 0 BDADMP Cn1cncc1CCC[N@@H+](C)CC1CC(O)C1 ZINC000315136566 350189313 /nfs/dbraw/zinc/18/93/13/350189313.db2.gz VJKNMKMDKCWWJF-UHFFFAOYSA-N 2 1 237.347 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CC1CC(O)C1 ZINC000315136566 350189317 /nfs/dbraw/zinc/18/93/17/350189317.db2.gz VJKNMKMDKCWWJF-UHFFFAOYSA-N 2 1 237.347 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC1CC(O)C1 ZINC000315136566 350189320 /nfs/dbraw/zinc/18/93/20/350189320.db2.gz VJKNMKMDKCWWJF-UHFFFAOYSA-N 2 1 237.347 1.055 20 0 BDADMP Cc1nccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000133519413 180206226 /nfs/dbraw/zinc/20/62/26/180206226.db2.gz PUQKDNQVBNQQNH-GXSJLCMTSA-N 2 1 232.331 1.822 20 0 BDADMP Cc1nccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000133519627 180208003 /nfs/dbraw/zinc/20/80/03/180208003.db2.gz PUQKDNQVBNQQNH-ONGXEEELSA-N 2 1 232.331 1.822 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309238428 350214445 /nfs/dbraw/zinc/21/44/45/350214445.db2.gz KBBAPYAOVDCDDN-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309238428 350214447 /nfs/dbraw/zinc/21/44/47/350214447.db2.gz KBBAPYAOVDCDDN-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309238428 350214450 /nfs/dbraw/zinc/21/44/50/350214450.db2.gz KBBAPYAOVDCDDN-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309238428 350214452 /nfs/dbraw/zinc/21/44/52/350214452.db2.gz KBBAPYAOVDCDDN-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000083527332 350234581 /nfs/dbraw/zinc/23/45/81/350234581.db2.gz PWORWZZUJUJVOV-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000083527332 350234583 /nfs/dbraw/zinc/23/45/83/350234583.db2.gz PWORWZZUJUJVOV-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1C ZINC000125461603 180233506 /nfs/dbraw/zinc/23/35/06/180233506.db2.gz KZMXMEYJNVMEEG-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1C ZINC000125461603 180233509 /nfs/dbraw/zinc/23/35/09/180233509.db2.gz KZMXMEYJNVMEEG-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(O)CCC1 ZINC000336712035 180234873 /nfs/dbraw/zinc/23/48/73/180234873.db2.gz NGUSVBWCQIJZKP-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(O)CCC1 ZINC000336712035 180234875 /nfs/dbraw/zinc/23/48/75/180234875.db2.gz NGUSVBWCQIJZKP-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1nccn1CCCC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000336713050 180236555 /nfs/dbraw/zinc/23/65/55/180236555.db2.gz SGZRVWDJZHSCHM-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)C[C@H]1C ZINC000336713050 180236558 /nfs/dbraw/zinc/23/65/58/180236558.db2.gz SGZRVWDJZHSCHM-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000336713050 180236561 /nfs/dbraw/zinc/23/65/61/180236561.db2.gz SGZRVWDJZHSCHM-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCF ZINC000130445453 180237211 /nfs/dbraw/zinc/23/72/11/180237211.db2.gz AIZPBRVALKSWHO-UHFFFAOYSA-N 2 1 213.300 1.873 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCF ZINC000130445453 180237213 /nfs/dbraw/zinc/23/72/13/180237213.db2.gz AIZPBRVALKSWHO-UHFFFAOYSA-N 2 1 213.300 1.873 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000336726021 180238529 /nfs/dbraw/zinc/23/85/29/180238529.db2.gz UGKYQHRFTMQVKL-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000336726021 180238531 /nfs/dbraw/zinc/23/85/31/180238531.db2.gz UGKYQHRFTMQVKL-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CO)CC1 ZINC000305125005 180238751 /nfs/dbraw/zinc/23/87/51/180238751.db2.gz OLDIJHHRGJYTJS-UHFFFAOYSA-N 2 1 237.347 1.286 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1(O)CCC1 ZINC000353516955 180246520 /nfs/dbraw/zinc/24/65/20/180246520.db2.gz MQAXGIDMKCLCDZ-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC1(O)CCC1 ZINC000353516955 180246522 /nfs/dbraw/zinc/24/65/22/180246522.db2.gz MQAXGIDMKCLCDZ-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000338014300 180247458 /nfs/dbraw/zinc/24/74/58/180247458.db2.gz FXJXPEFNAPCLDS-YPMHNXCESA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000337946479 180247702 /nfs/dbraw/zinc/24/77/02/180247702.db2.gz NKODIBSZNLYGNC-YPMHNXCESA-N 2 1 236.363 1.121 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000336719463 180249519 /nfs/dbraw/zinc/24/95/19/180249519.db2.gz XMIAJLSXNAICRO-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000336719463 180249520 /nfs/dbraw/zinc/24/95/20/180249520.db2.gz XMIAJLSXNAICRO-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H](C)O)C(C)C ZINC000336685695 180249740 /nfs/dbraw/zinc/24/97/40/180249740.db2.gz VMKMBBGSEIVGHB-NSHDSACASA-N 2 1 225.336 1.283 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C[C@H](C)O)C(C)C ZINC000336685695 180249742 /nfs/dbraw/zinc/24/97/42/180249742.db2.gz VMKMBBGSEIVGHB-NSHDSACASA-N 2 1 225.336 1.283 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](C)(F)C1 ZINC000334470029 180254307 /nfs/dbraw/zinc/25/43/07/180254307.db2.gz FFIKDZLADRANMP-LLVKDONJSA-N 2 1 211.284 1.625 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](C)(F)C1 ZINC000334470029 180254309 /nfs/dbraw/zinc/25/43/09/180254309.db2.gz FFIKDZLADRANMP-LLVKDONJSA-N 2 1 211.284 1.625 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000336691070 180241826 /nfs/dbraw/zinc/24/18/26/180241826.db2.gz CXHVTGZIKSHVAS-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000336691070 180241829 /nfs/dbraw/zinc/24/18/29/180241829.db2.gz CXHVTGZIKSHVAS-WCQYABFASA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1C[C@@H]1C ZINC000309117029 180244601 /nfs/dbraw/zinc/24/46/01/180244601.db2.gz LYACHKFHCDYIBA-JQWIXIFHSA-N 2 1 207.321 1.827 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1CCCOC1 ZINC000337952621 180245469 /nfs/dbraw/zinc/24/54/69/180245469.db2.gz ZCYUFUSKKJSYEL-ZDUSSCGKSA-N 2 1 237.347 1.598 20 0 BDADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000295055192 180274153 /nfs/dbraw/zinc/27/41/53/180274153.db2.gz QQNUBYINOFNIJO-DGCLKSJQSA-N 2 1 248.374 1.400 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(O)cc(F)c1 ZINC000274485098 180260980 /nfs/dbraw/zinc/26/09/80/180260980.db2.gz YRJDLOSMKKTJKB-UHFFFAOYSA-N 2 1 249.289 1.826 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)C(C)(C)C ZINC000278778798 180262748 /nfs/dbraw/zinc/26/27/48/180262748.db2.gz NMYPYFJGMAIVOM-LLVKDONJSA-N 2 1 225.336 1.188 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCOC1(C)C ZINC000293829315 180263684 /nfs/dbraw/zinc/26/36/84/180263684.db2.gz SIPNZPGOYYLJRU-NSHDSACASA-N 2 1 223.320 1.349 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427849522 191094198 /nfs/dbraw/zinc/09/41/98/191094198.db2.gz NOGOZVUANUUUEZ-JHJVBQTASA-N 2 1 248.374 1.128 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427849522 191094201 /nfs/dbraw/zinc/09/42/01/191094201.db2.gz NOGOZVUANUUUEZ-JHJVBQTASA-N 2 1 248.374 1.128 20 0 BDADMP CC(C)Cn1ccnc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422782384 192465449 /nfs/dbraw/zinc/46/54/49/192465449.db2.gz LXPBMOSCRSGQQG-NWDGAFQWSA-N 2 1 238.379 1.755 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000068944820 350313663 /nfs/dbraw/zinc/31/36/63/350313663.db2.gz BKNSIFCSKUUJIZ-NWDGAFQWSA-N 2 1 216.369 1.323 20 0 BDADMP Cc1ncsc1CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122360644 180308958 /nfs/dbraw/zinc/30/89/58/180308958.db2.gz SXLOFNQZYGEJKN-ONGXEEELSA-N 2 1 239.388 1.663 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)CC1(C)C ZINC000623537049 362955673 /nfs/dbraw/zinc/95/56/73/362955673.db2.gz LKEVKJQWWAGVJL-LBPRGKRZSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ncc(C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000397927180 362955316 /nfs/dbraw/zinc/95/53/16/362955316.db2.gz RUQPQBICCBMFKG-UHFFFAOYSA-N 2 1 220.276 1.278 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228152841 180337825 /nfs/dbraw/zinc/33/78/25/180337825.db2.gz KCICMBJTOVTUGS-CABZTGNLSA-N 2 1 236.363 1.206 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537685 362956563 /nfs/dbraw/zinc/95/65/63/362956563.db2.gz BPVJSUIOOUFYHH-RYUDHWBXSA-N 2 1 242.407 1.998 20 0 BDADMP CCOC1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000162855372 350445783 /nfs/dbraw/zinc/44/57/83/350445783.db2.gz IZVDAFGDQHNSTL-IALDZJHCSA-N 2 1 226.364 1.626 20 0 BDADMP CCOC1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000162855372 350445789 /nfs/dbraw/zinc/44/57/89/350445789.db2.gz IZVDAFGDQHNSTL-IALDZJHCSA-N 2 1 226.364 1.626 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H](C)O2)CC1 ZINC000336696144 350452020 /nfs/dbraw/zinc/45/20/20/350452020.db2.gz QGQMPMSAAGYZKI-JSGCOSHPSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@H](C)O2)CC1 ZINC000336696144 350452022 /nfs/dbraw/zinc/45/20/22/350452022.db2.gz QGQMPMSAAGYZKI-JSGCOSHPSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000427983294 191104527 /nfs/dbraw/zinc/10/45/27/191104527.db2.gz DWAIDMSLNKKTJE-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000427983294 191104529 /nfs/dbraw/zinc/10/45/29/191104529.db2.gz DWAIDMSLNKKTJE-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000300351763 490558181 /nfs/dbraw/zinc/55/81/81/490558181.db2.gz DIROSGDUAWTKKK-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000177393137 365999011 /nfs/dbraw/zinc/99/90/11/365999011.db2.gz MCQKQCOYYQIGNG-GXTWGEPZSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251849879 350904593 /nfs/dbraw/zinc/90/45/93/350904593.db2.gz RQJPNEJGEHXPIN-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336688918 350964799 /nfs/dbraw/zinc/96/47/99/350964799.db2.gz VWZOYSMGDIHXLN-YNEHKIRRSA-N 2 1 228.380 1.466 20 0 BDADMP CC[N@H+]1CCCN(c2cc(C)nc(C)n2)CC1 ZINC000267212378 351304419 /nfs/dbraw/zinc/30/44/19/351304419.db2.gz MASOFDJJCQKGMU-UHFFFAOYSA-N 2 1 234.347 1.625 20 0 BDADMP CC(C)(O)CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000674231301 487527531 /nfs/dbraw/zinc/52/75/31/487527531.db2.gz LNIIUPWOQCRKCQ-GFCCVEGCSA-N 2 1 237.347 1.681 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650096 366032844 /nfs/dbraw/zinc/03/28/44/366032844.db2.gz CVXQLJAODDJINR-GHMZBOCLSA-N 2 1 222.336 1.230 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+](C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650096 366032849 /nfs/dbraw/zinc/03/28/49/366032849.db2.gz CVXQLJAODDJINR-GHMZBOCLSA-N 2 1 222.336 1.230 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650096 366032853 /nfs/dbraw/zinc/03/28/53/366032853.db2.gz CVXQLJAODDJINR-GHMZBOCLSA-N 2 1 222.336 1.230 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CC1 ZINC000638088391 351965375 /nfs/dbraw/zinc/96/53/75/351965375.db2.gz BQFMFQAIHOPXNJ-YNEHKIRRSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CC1 ZINC000638088391 351965379 /nfs/dbraw/zinc/96/53/79/351965379.db2.gz BQFMFQAIHOPXNJ-YNEHKIRRSA-N 2 1 224.348 1.095 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000638123620 351995972 /nfs/dbraw/zinc/99/59/72/351995972.db2.gz RAKLQKVZCPBHIB-QJPTWQEYSA-N 2 1 241.379 1.055 20 0 BDADMP COc1cccc(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000638186116 352050860 /nfs/dbraw/zinc/05/08/60/352050860.db2.gz LMABMHSSMVOWAL-CHWSQXEVSA-N 2 1 246.354 1.655 20 0 BDADMP C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000638246664 352093347 /nfs/dbraw/zinc/09/33/47/352093347.db2.gz JDHIZMYDQIZSSD-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC2(O)CCC2)CC[N@@H+]1C ZINC000411116284 191160827 /nfs/dbraw/zinc/16/08/27/191160827.db2.gz RJEYHATXRRXAGB-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC2(O)CCC2)CC[N@H+]1C ZINC000411116284 191160830 /nfs/dbraw/zinc/16/08/30/191160830.db2.gz RJEYHATXRRXAGB-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCC2(O)CCC2)CC[NH+]1C ZINC000411116284 191160832 /nfs/dbraw/zinc/16/08/32/191160832.db2.gz RJEYHATXRRXAGB-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2(O)CCC2)CC[NH+]1C ZINC000411116284 191160835 /nfs/dbraw/zinc/16/08/35/191160835.db2.gz RJEYHATXRRXAGB-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1CCC[C@@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000414918077 352272494 /nfs/dbraw/zinc/27/24/94/352272494.db2.gz XKQDYKAWAVLYQH-NWDGAFQWSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@H]1CCC[C@@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000414918077 352272495 /nfs/dbraw/zinc/27/24/95/352272495.db2.gz XKQDYKAWAVLYQH-NWDGAFQWSA-N 2 1 214.353 1.066 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638589379 352421037 /nfs/dbraw/zinc/42/10/37/352421037.db2.gz TVTBPWSBDYHBBZ-IYXRBSQSSA-N 2 1 248.374 1.518 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC2(O)CCC2)CC1 ZINC000411642012 191202732 /nfs/dbraw/zinc/20/27/32/191202732.db2.gz YCVPRXYBJHHINR-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1F ZINC000415011564 352546752 /nfs/dbraw/zinc/54/67/52/352546752.db2.gz QSTIOKFLYWBPCL-NXEZZACHSA-N 2 1 210.296 1.959 20 0 BDADMP Cn1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cn1 ZINC000042489403 352621790 /nfs/dbraw/zinc/62/17/90/352621790.db2.gz COGCBCDVJYZLTL-UHFFFAOYSA-N 2 1 236.363 1.242 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1cscn1 ZINC000042869459 352628955 /nfs/dbraw/zinc/62/89/55/352628955.db2.gz PKLXHFQCZPMVSO-UHFFFAOYSA-N 2 1 239.388 1.965 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cscn1 ZINC000042869459 352628960 /nfs/dbraw/zinc/62/89/60/352628960.db2.gz PKLXHFQCZPMVSO-UHFFFAOYSA-N 2 1 239.388 1.965 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000049566103 352634220 /nfs/dbraw/zinc/63/42/20/352634220.db2.gz KXGNODCUEVFXEZ-NWDGAFQWSA-N 2 1 240.347 1.113 20 0 BDADMP Cn1cnc2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)ccc21 ZINC000334183999 352773277 /nfs/dbraw/zinc/77/32/77/352773277.db2.gz CTWZEXNKDAQQAH-LBPRGKRZSA-N 2 1 244.342 1.354 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000334215253 352814323 /nfs/dbraw/zinc/81/43/23/352814323.db2.gz UGUUNNWUDGBBCZ-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000334215253 352814325 /nfs/dbraw/zinc/81/43/25/352814325.db2.gz UGUUNNWUDGBBCZ-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000334215253 352814327 /nfs/dbraw/zinc/81/43/27/352814327.db2.gz UGUUNNWUDGBBCZ-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1ccn2c(C[N@@H+]3CC[C@@H](C[NH3+])C3)cnc2c1 ZINC000334211577 352808529 /nfs/dbraw/zinc/80/85/29/352808529.db2.gz PWULSFVKKMBCQO-LBPRGKRZSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1ccn2c(C[N@H+]3CC[C@@H](C[NH3+])C3)cnc2c1 ZINC000334211577 352808532 /nfs/dbraw/zinc/80/85/32/352808532.db2.gz PWULSFVKKMBCQO-LBPRGKRZSA-N 2 1 244.342 1.423 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334270933 352907704 /nfs/dbraw/zinc/90/77/04/352907704.db2.gz GFLGTORCKJUTRT-UONOGXRCSA-N 2 1 239.407 1.353 20 0 BDADMP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)C[C@@H]1O ZINC000342870239 352884124 /nfs/dbraw/zinc/88/41/24/352884124.db2.gz BVFUQDOEGHOIBW-OLZOCXBDSA-N 2 1 237.347 1.284 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@@H]1O ZINC000342870239 352884127 /nfs/dbraw/zinc/88/41/27/352884127.db2.gz BVFUQDOEGHOIBW-OLZOCXBDSA-N 2 1 237.347 1.284 20 0 BDADMP CC[C@@H](C)[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)OC ZINC000638838181 353023300 /nfs/dbraw/zinc/02/33/00/353023300.db2.gz DXKWLGPQHVZGQJ-OCCSQVGLSA-N 2 1 240.391 1.899 20 0 BDADMP Cl/C=C/C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000306428467 353013455 /nfs/dbraw/zinc/01/34/55/353013455.db2.gz MNNJPZHGFUAFRZ-BRXSEDAMSA-N 2 1 200.713 1.423 20 0 BDADMP Cl/C=C/C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000306428467 353013456 /nfs/dbraw/zinc/01/34/56/353013456.db2.gz MNNJPZHGFUAFRZ-BRXSEDAMSA-N 2 1 200.713 1.423 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257535 188240351 /nfs/dbraw/zinc/24/03/51/188240351.db2.gz SASNKOAEXPEFGE-KBPBESRZSA-N 2 1 240.391 1.778 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257535 188240353 /nfs/dbraw/zinc/24/03/53/188240353.db2.gz SASNKOAEXPEFGE-KBPBESRZSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CCC[NH2+]C1 ZINC000251869570 353293817 /nfs/dbraw/zinc/29/38/17/353293817.db2.gz TXVRMESRJJXZSI-MCIONIFRSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000251914527 353293976 /nfs/dbraw/zinc/29/39/76/353293976.db2.gz XLRYLCVRXOYQHH-ZWNOBZJWSA-N 2 1 220.316 1.561 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000251914527 353293978 /nfs/dbraw/zinc/29/39/78/353293978.db2.gz XLRYLCVRXOYQHH-ZWNOBZJWSA-N 2 1 220.316 1.561 20 0 BDADMP C[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000252213289 353299100 /nfs/dbraw/zinc/29/91/00/353299100.db2.gz WYTNEESEYFHTRX-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNCc2nccn2C)C1 ZINC000045135125 188297369 /nfs/dbraw/zinc/29/73/69/188297369.db2.gz BABZEABPFRYWGY-LBPRGKRZSA-N 2 1 236.363 1.240 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2COCCO2)c2ccccc21 ZINC000252765166 353304279 /nfs/dbraw/zinc/30/42/79/353304279.db2.gz FQKXVKUISQPFQW-ZLKJLUDKSA-N 2 1 248.326 1.136 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000040620964 188312246 /nfs/dbraw/zinc/31/22/46/188312246.db2.gz STRXLTKSFOSKMO-VXGBXAGGSA-N 2 1 228.405 1.812 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000133331764 188319432 /nfs/dbraw/zinc/31/94/32/188319432.db2.gz IWHOZZLSJPWNPT-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP C([C@@H]1CCOC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435458 188331257 /nfs/dbraw/zinc/33/12/57/188331257.db2.gz ZFNONOWLHVGJMS-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cnn1C ZINC000227566316 188331371 /nfs/dbraw/zinc/33/13/71/188331371.db2.gz CIZQNIOTOKCUPD-CMPLNLGQSA-N 2 1 236.363 1.288 20 0 BDADMP C(C1CCC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335623933 188338330 /nfs/dbraw/zinc/33/83/30/188338330.db2.gz RFGZALGNWAYQMV-ZDUSSCGKSA-N 2 1 208.349 1.862 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](C)CC1 ZINC000309319221 188344817 /nfs/dbraw/zinc/34/48/17/188344817.db2.gz DUBSSVNRLCQDFV-GFCCVEGCSA-N 2 1 227.396 1.399 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336781219 188354650 /nfs/dbraw/zinc/35/46/50/188354650.db2.gz UCIYIYDWDSGYRQ-STQMWFEESA-N 3 1 227.396 1.258 20 0 BDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336781219 188354651 /nfs/dbraw/zinc/35/46/51/188354651.db2.gz UCIYIYDWDSGYRQ-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCCOC)C1 ZINC000226420609 363218101 /nfs/dbraw/zinc/21/81/01/363218101.db2.gz JKTHFQYJNBWODE-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCc1ccncc1 ZINC000336702635 188359605 /nfs/dbraw/zinc/35/96/05/188359605.db2.gz LIXUAXSAPDRLFF-CQSZACIVSA-N 2 1 235.375 1.977 20 0 BDADMP C[N@@H+](CCc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000355732452 188363102 /nfs/dbraw/zinc/36/31/02/188363102.db2.gz JWMKAYVASKXIAG-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1cccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000355732452 188363103 /nfs/dbraw/zinc/36/31/03/188363103.db2.gz JWMKAYVASKXIAG-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355732452 188363104 /nfs/dbraw/zinc/36/31/04/188363104.db2.gz JWMKAYVASKXIAG-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP CC[N@@H+](Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000094916660 353518279 /nfs/dbraw/zinc/51/82/79/353518279.db2.gz NRYFDEYLRORLJU-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP CC[N@H+](Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000094916660 353518283 /nfs/dbraw/zinc/51/82/83/353518283.db2.gz NRYFDEYLRORLJU-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000639105323 353603006 /nfs/dbraw/zinc/60/30/06/353603006.db2.gz FWPPNHFWPYZJHI-AAEUAGOBSA-N 2 1 249.358 1.460 20 0 BDADMP CCSCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000119997508 353692365 /nfs/dbraw/zinc/69/23/65/353692365.db2.gz XTKHROWLWQURCD-LLVKDONJSA-N 2 1 216.394 1.623 20 0 BDADMP CCC[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113787 353714558 /nfs/dbraw/zinc/71/45/58/353714558.db2.gz VIZZATZLNMSHFM-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP CCC[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)OC ZINC000639113787 353714560 /nfs/dbraw/zinc/71/45/60/353714560.db2.gz VIZZATZLNMSHFM-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP CCC[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)OC ZINC000639113787 353714563 /nfs/dbraw/zinc/71/45/63/353714563.db2.gz VIZZATZLNMSHFM-XQQFMLRXSA-N 2 1 226.364 1.295 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)[C@H]2C1 ZINC000343447890 353891799 /nfs/dbraw/zinc/89/17/99/353891799.db2.gz KJCUFQSWHRKCNQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCCOC3)[C@H]2C1 ZINC000343447890 353891800 /nfs/dbraw/zinc/89/18/00/353891800.db2.gz KJCUFQSWHRKCNQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCCOC3)[C@H]2C1 ZINC000343447890 353891801 /nfs/dbraw/zinc/89/18/01/353891801.db2.gz KJCUFQSWHRKCNQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CCCOC3)[C@H]2C1 ZINC000343447890 353891802 /nfs/dbraw/zinc/89/18/02/353891802.db2.gz KJCUFQSWHRKCNQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)[C@H]2C1 ZINC000343447890 353891803 /nfs/dbraw/zinc/89/18/03/353891803.db2.gz KJCUFQSWHRKCNQ-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000309585685 491057201 /nfs/dbraw/zinc/05/72/01/491057201.db2.gz RSNAJRJSZCVCFV-WCQYABFASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(=O)[nH]c1 ZINC000639177795 354251252 /nfs/dbraw/zinc/25/12/52/354251252.db2.gz GOSLOOVRSNSSMV-WCQYABFASA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(=O)[nH]c1 ZINC000639177795 354251254 /nfs/dbraw/zinc/25/12/54/354251254.db2.gz GOSLOOVRSNSSMV-WCQYABFASA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177795 354251255 /nfs/dbraw/zinc/25/12/55/354251255.db2.gz GOSLOOVRSNSSMV-WCQYABFASA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177795 354251257 /nfs/dbraw/zinc/25/12/57/354251257.db2.gz GOSLOOVRSNSSMV-WCQYABFASA-N 2 1 249.358 1.559 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000344411683 354251897 /nfs/dbraw/zinc/25/18/97/354251897.db2.gz RIEIFJWDFMXIOF-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344411683 354251900 /nfs/dbraw/zinc/25/19/00/354251900.db2.gz RIEIFJWDFMXIOF-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000344766389 354357381 /nfs/dbraw/zinc/35/73/81/354357381.db2.gz XYNVRTIJLFCUAS-ZIAGYGMSSA-N 2 1 248.374 1.747 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC000334674113 354417040 /nfs/dbraw/zinc/41/70/40/354417040.db2.gz IWLXLRXZBDQDKA-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC000334674113 354417042 /nfs/dbraw/zinc/41/70/42/354417042.db2.gz IWLXLRXZBDQDKA-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP CN1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334674113 354417048 /nfs/dbraw/zinc/41/70/48/354417048.db2.gz IWLXLRXZBDQDKA-CQSZACIVSA-N 3 1 248.374 1.301 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639190490 354428926 /nfs/dbraw/zinc/42/89/26/354428926.db2.gz AVIHVTVBAPXCOX-OLZOCXBDSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639190490 354428929 /nfs/dbraw/zinc/42/89/29/354428929.db2.gz AVIHVTVBAPXCOX-OLZOCXBDSA-N 2 1 228.380 1.874 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000334649525 354441051 /nfs/dbraw/zinc/44/10/51/354441051.db2.gz HDSDSYODFGXFFG-ONGXEEELSA-N 2 1 222.336 1.277 20 0 BDADMP CC1=C[C@H](C)C[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000335115203 354704435 /nfs/dbraw/zinc/70/44/35/354704435.db2.gz SAWLBBVGCRCBAF-NSHDSACASA-N 2 1 248.374 1.884 20 0 BDADMP COCCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234599214 363425033 /nfs/dbraw/zinc/42/50/33/363425033.db2.gz JJBXPAVMVUYQAU-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000346460649 354964483 /nfs/dbraw/zinc/96/44/83/354964483.db2.gz MXUZTBUEHZZEAW-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346685902 355012072 /nfs/dbraw/zinc/01/20/72/355012072.db2.gz QTHPLSZDBOYCKW-QWHCGFSZSA-N 3 1 227.396 1.291 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346685902 355012074 /nfs/dbraw/zinc/01/20/74/355012074.db2.gz QTHPLSZDBOYCKW-QWHCGFSZSA-N 3 1 227.396 1.291 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)CCO1 ZINC000346695204 355077128 /nfs/dbraw/zinc/07/71/28/355077128.db2.gz YVIYEVUPGKGQCI-YIYPIFLZSA-N 2 1 240.391 1.861 20 0 BDADMP CN(CC[N@H+](C)CC(C)(C)[NH3+])c1ccccc1 ZINC000346860217 355118611 /nfs/dbraw/zinc/11/86/11/355118611.db2.gz SZUHIEGNGUORFI-UHFFFAOYSA-N 2 1 235.375 1.792 20 0 BDADMP CN(CC[N@@H+](C)CC(C)(C)[NH3+])c1ccccc1 ZINC000346860217 355118614 /nfs/dbraw/zinc/11/86/14/355118614.db2.gz SZUHIEGNGUORFI-UHFFFAOYSA-N 2 1 235.375 1.792 20 0 BDADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346842275 355134810 /nfs/dbraw/zinc/13/48/10/355134810.db2.gz IBDKRYBBXPHVNW-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346842275 355134813 /nfs/dbraw/zinc/13/48/13/355134813.db2.gz IBDKRYBBXPHVNW-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)([NH3+])C[N@H+](CCCO)Cc1ccccc1 ZINC000346856417 355139842 /nfs/dbraw/zinc/13/98/42/355139842.db2.gz WEPGGQNDUPZNDX-UHFFFAOYSA-N 2 1 236.359 1.608 20 0 BDADMP CC(C)([NH3+])C[N@@H+](CCCO)Cc1ccccc1 ZINC000346856417 355139847 /nfs/dbraw/zinc/13/98/47/355139847.db2.gz WEPGGQNDUPZNDX-UHFFFAOYSA-N 2 1 236.359 1.608 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346964811 355172385 /nfs/dbraw/zinc/17/23/85/355172385.db2.gz BTPHLJJVVFGXQX-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346996099 355194984 /nfs/dbraw/zinc/19/49/84/355194984.db2.gz WJDWGJLQAHVVMS-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000335259562 355199821 /nfs/dbraw/zinc/19/98/21/355199821.db2.gz XBGLBNCQRONFPH-ZANVPECISA-N 2 1 238.306 1.619 20 0 BDADMP CCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000347009874 355203621 /nfs/dbraw/zinc/20/36/21/355203621.db2.gz SLVMXMBHHSAYTK-ZDUSSCGKSA-N 3 1 239.407 1.450 20 0 BDADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000347009874 355203624 /nfs/dbraw/zinc/20/36/24/355203624.db2.gz SLVMXMBHHSAYTK-ZDUSSCGKSA-N 3 1 239.407 1.450 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2C[NH3+])CCO1 ZINC000347011695 355204523 /nfs/dbraw/zinc/20/45/23/355204523.db2.gz GTXOPLKLOZLYPH-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2C[NH3+])CCO1 ZINC000347011695 355204526 /nfs/dbraw/zinc/20/45/26/355204526.db2.gz GTXOPLKLOZLYPH-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000347015475 355205808 /nfs/dbraw/zinc/20/58/08/355205808.db2.gz JMPOXWKIGBSTLE-LLVKDONJSA-N 2 1 235.331 1.261 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000347015475 355205811 /nfs/dbraw/zinc/20/58/11/355205811.db2.gz JMPOXWKIGBSTLE-LLVKDONJSA-N 2 1 235.331 1.261 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000113516424 355234157 /nfs/dbraw/zinc/23/41/57/355234157.db2.gz MQKBAHHTLRKAHZ-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1ccnn1C)CC[NH2+]CC2 ZINC000335281765 355272776 /nfs/dbraw/zinc/27/27/76/355272776.db2.gz XFYHRGMBLIHFJU-GFCCVEGCSA-N 2 1 248.374 1.384 20 0 BDADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414182143 191453370 /nfs/dbraw/zinc/45/33/70/191453370.db2.gz MYSRDXCEWUHUGW-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000349854382 355496182 /nfs/dbraw/zinc/49/61/82/355496182.db2.gz OHMVNXVPRILKBR-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H](CC[NH3+])NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000349972528 355551924 /nfs/dbraw/zinc/55/19/24/355551924.db2.gz ZTFWADOLQTWLOT-WCQYABFASA-N 2 1 249.358 1.143 20 0 BDADMP C[C@H](CC[NH3+])NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000349972530 355552128 /nfs/dbraw/zinc/55/21/28/355552128.db2.gz ZTFWADOLQTWLOT-YPMHNXCESA-N 2 1 249.358 1.143 20 0 BDADMP C[C@H]1CC(C[NH2+]C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000335819084 355510284 /nfs/dbraw/zinc/51/02/84/355510284.db2.gz HETVTODWTWSVTE-RYUDHWBXSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[N@H+]([C@H](C)CCOC)CC[C@@H]1[NH3+] ZINC000251793307 491080477 /nfs/dbraw/zinc/08/04/77/491080477.db2.gz NRTYXJHIPUHBGY-UTUOFQBUSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@]1(C[NH2+]Cc2cccnc2)CC[NH2+]C1 ZINC000415100905 191681907 /nfs/dbraw/zinc/68/19/07/191681907.db2.gz IKFFYKJGULSIKZ-LBPRGKRZSA-N 2 1 205.305 1.171 20 0 BDADMP c1csc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415036876 191658690 /nfs/dbraw/zinc/65/86/90/191658690.db2.gz KKVRTSJYZSSGCL-SNVBAGLBSA-N 2 1 226.345 1.216 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000582181235 355645220 /nfs/dbraw/zinc/64/52/20/355645220.db2.gz MPMZZMUVODCQDS-BDAKNGLRSA-N 2 1 240.376 1.115 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000582181235 355645224 /nfs/dbraw/zinc/64/52/24/355645224.db2.gz MPMZZMUVODCQDS-BDAKNGLRSA-N 2 1 240.376 1.115 20 0 BDADMP CCC[C@@H](C[N@@H+](C)CC1CN(C)C1)OC ZINC000639310004 355666184 /nfs/dbraw/zinc/66/61/84/355666184.db2.gz QHZPZSIDEWSWBP-LBPRGKRZSA-N 2 1 214.353 1.295 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000353986709 355749331 /nfs/dbraw/zinc/74/93/31/355749331.db2.gz KPAVGTXIXRQNCZ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000353986709 355749334 /nfs/dbraw/zinc/74/93/34/355749334.db2.gz KPAVGTXIXRQNCZ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351227606 355963914 /nfs/dbraw/zinc/96/39/14/355963914.db2.gz OJUKDUVYSQSHTD-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351227606 355963918 /nfs/dbraw/zinc/96/39/18/355963918.db2.gz OJUKDUVYSQSHTD-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351227606 355963920 /nfs/dbraw/zinc/96/39/20/355963920.db2.gz OJUKDUVYSQSHTD-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](F)CC[N@@H+](C)CCCn1ccnc1 ZINC000351735313 356074183 /nfs/dbraw/zinc/07/41/83/356074183.db2.gz MDZZVGLRHVEVLJ-NSHDSACASA-N 2 1 213.300 1.953 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420264986 192191303 /nfs/dbraw/zinc/19/13/03/192191303.db2.gz AWIHKZYPRFVPJH-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420264986 192191305 /nfs/dbraw/zinc/19/13/05/192191305.db2.gz AWIHKZYPRFVPJH-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP Cn1c[nH+]cc1CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000639471680 356260900 /nfs/dbraw/zinc/26/09/00/356260900.db2.gz YSJTZISUCIEHPB-CQSZACIVSA-N 2 1 248.374 1.133 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420294437 192204002 /nfs/dbraw/zinc/20/40/02/192204002.db2.gz SSMMVGIKKWWZBI-GFCCVEGCSA-N 3 1 227.396 1.293 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(C)(C)CN ZINC000420294437 192204003 /nfs/dbraw/zinc/20/40/03/192204003.db2.gz SSMMVGIKKWWZBI-GFCCVEGCSA-N 2 1 227.396 1.293 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(C)(C)CN ZINC000420294437 192204005 /nfs/dbraw/zinc/20/40/05/192204005.db2.gz SSMMVGIKKWWZBI-GFCCVEGCSA-N 2 1 227.396 1.293 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420296754 192204307 /nfs/dbraw/zinc/20/43/07/192204307.db2.gz DTXVRDSDKZBVRV-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CC[C@H]1CCCCO1)C1CC1 ZINC000420296576 192205913 /nfs/dbraw/zinc/20/59/13/192205913.db2.gz XECOAXZLWGOOGE-OLZOCXBDSA-N 2 1 226.364 1.663 20 0 BDADMP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420319850 192196052 /nfs/dbraw/zinc/19/60/52/192196052.db2.gz PRZWTTDTDRIATC-GXTWGEPZSA-N 2 1 248.374 1.936 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420319243 192196167 /nfs/dbraw/zinc/19/61/67/192196167.db2.gz XOIKPILGFHVOQU-LBPRGKRZSA-N 2 1 242.363 1.389 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000420271965 192196416 /nfs/dbraw/zinc/19/64/16/192196416.db2.gz LDYNEWXTDOJYTP-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)[C@H](C)[NH3+] ZINC000420274081 192196740 /nfs/dbraw/zinc/19/67/40/192196740.db2.gz YBLWGSDNVRUFIO-JGVFFNPUSA-N 2 1 221.308 1.199 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000420274082 192196931 /nfs/dbraw/zinc/19/69/31/192196931.db2.gz YBLWGSDNVRUFIO-SFYZADRCSA-N 2 1 221.308 1.199 20 0 BDADMP C[N@@H+](CC[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000420271964 192197781 /nfs/dbraw/zinc/19/77/81/192197781.db2.gz LDYNEWXTDOJYTP-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420287312 192201530 /nfs/dbraw/zinc/20/15/30/192201530.db2.gz HUMSJJVGDIBTEE-VXGBXAGGSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1CN ZINC000420289710 192201916 /nfs/dbraw/zinc/20/19/16/192201916.db2.gz KWGIPFUXGGLORH-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)[C@@H]1C[NH3+] ZINC000420289710 192201917 /nfs/dbraw/zinc/20/19/17/192201917.db2.gz KWGIPFUXGGLORH-MGPQQGTHSA-N 2 1 239.407 1.435 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294092 192202603 /nfs/dbraw/zinc/20/26/03/192202603.db2.gz SJAVCXBYSONOMI-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294092 192202605 /nfs/dbraw/zinc/20/26/05/192202605.db2.gz SJAVCXBYSONOMI-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP c1cnn(CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420330530 192214858 /nfs/dbraw/zinc/21/48/58/192214858.db2.gz QBBQNJDCZUUZEA-UONOGXRCSA-N 2 1 248.374 1.205 20 0 BDADMP CCCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334981 192215247 /nfs/dbraw/zinc/21/52/47/192215247.db2.gz UQGWTQKYPSLUGX-GFCCVEGCSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420355073 192218971 /nfs/dbraw/zinc/21/89/71/192218971.db2.gz PQASCGAEGXDQOS-SKDRFNHKSA-N 2 1 226.295 1.138 20 0 BDADMP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420355073 192218974 /nfs/dbraw/zinc/21/89/74/192218974.db2.gz PQASCGAEGXDQOS-SKDRFNHKSA-N 2 1 226.295 1.138 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338943 192216254 /nfs/dbraw/zinc/21/62/54/192216254.db2.gz YIXUYSQYHDNWJA-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP CCc1ccccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349050 192217105 /nfs/dbraw/zinc/21/71/05/192217105.db2.gz BODKMDYXRDCBCE-ZDUSSCGKSA-N 2 1 222.332 1.000 20 0 BDADMP CCc1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420352278 192217296 /nfs/dbraw/zinc/21/72/96/192217296.db2.gz MDFUXRDBXHJQMC-CYBMUJFWSA-N 2 1 222.332 1.000 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(CCc2cnccn2)C1 ZINC000639511392 356345968 /nfs/dbraw/zinc/34/59/68/356345968.db2.gz MAEUKWQFHFYGIF-ZDUSSCGKSA-N 2 1 248.374 1.293 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cnccn2)C1 ZINC000639511392 356345972 /nfs/dbraw/zinc/34/59/72/356345972.db2.gz MAEUKWQFHFYGIF-ZDUSSCGKSA-N 2 1 248.374 1.293 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cnccn2)C1 ZINC000639511392 356345976 /nfs/dbraw/zinc/34/59/76/356345976.db2.gz MAEUKWQFHFYGIF-ZDUSSCGKSA-N 2 1 248.374 1.293 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2cnccn2)C1 ZINC000639511392 356345979 /nfs/dbraw/zinc/34/59/79/356345979.db2.gz MAEUKWQFHFYGIF-ZDUSSCGKSA-N 2 1 248.374 1.293 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cnccn2)C1 ZINC000639511392 356345983 /nfs/dbraw/zinc/34/59/83/356345983.db2.gz MAEUKWQFHFYGIF-ZDUSSCGKSA-N 2 1 248.374 1.293 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420307646 192209147 /nfs/dbraw/zinc/20/91/47/192209147.db2.gz RPVLXTDNNKBTHP-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420311983 192210755 /nfs/dbraw/zinc/21/07/55/192210755.db2.gz HKENCBHXMRQWRC-QWHCGFSZSA-N 2 1 248.374 1.589 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420367363 192225940 /nfs/dbraw/zinc/22/59/40/192225940.db2.gz KAMLMWWXIDMMQF-AWEZNQCLSA-N 2 1 240.391 1.879 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000420367122 192226185 /nfs/dbraw/zinc/22/61/85/192226185.db2.gz GUVSVHBEQPJLIB-UHFFFAOYSA-N 2 1 236.363 1.507 20 0 BDADMP CC(C)OCCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420366543 192226318 /nfs/dbraw/zinc/22/63/18/192226318.db2.gz RISOYMPEQUEMGC-LLVKDONJSA-N 2 1 216.369 1.765 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420370116 192228329 /nfs/dbraw/zinc/22/83/29/192228329.db2.gz YLWFBXLAKBPDSI-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324812 192228807 /nfs/dbraw/zinc/22/88/07/192228807.db2.gz HQDAAEHTFGVYSK-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCc1nccs1 ZINC000420371654 192229664 /nfs/dbraw/zinc/22/96/64/192229664.db2.gz KUYRYADPRKQYMM-UHFFFAOYSA-N 2 1 213.350 1.227 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1nccs1 ZINC000420371654 192229666 /nfs/dbraw/zinc/22/96/66/192229666.db2.gz KUYRYADPRKQYMM-UHFFFAOYSA-N 2 1 213.350 1.227 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CCN1C ZINC000420327761 192229744 /nfs/dbraw/zinc/22/97/44/192229744.db2.gz ZBLSQAVYBRERAR-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000420327761 192229746 /nfs/dbraw/zinc/22/97/46/192229746.db2.gz ZBLSQAVYBRERAR-RDBSUJKOSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000420327761 192229748 /nfs/dbraw/zinc/22/97/48/192229748.db2.gz ZBLSQAVYBRERAR-RDBSUJKOSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)CC[NH+]1C ZINC000420327761 192229750 /nfs/dbraw/zinc/22/97/50/192229750.db2.gz ZBLSQAVYBRERAR-RDBSUJKOSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CC[NH+]1C ZINC000420327761 192229753 /nfs/dbraw/zinc/22/97/53/192229753.db2.gz ZBLSQAVYBRERAR-RDBSUJKOSA-N 3 1 239.407 1.401 20 0 BDADMP CCCCC[N@@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000420325737 192230129 /nfs/dbraw/zinc/23/01/29/192230129.db2.gz WTCJKOXFYSQZII-ZDUSSCGKSA-N 2 1 228.380 1.471 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420327865 192230163 /nfs/dbraw/zinc/23/01/63/192230163.db2.gz ZADZANVRWHTWLV-QWHCGFSZSA-N 3 1 227.396 1.339 20 0 BDADMP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420355071 192219192 /nfs/dbraw/zinc/21/91/92/192219192.db2.gz PQASCGAEGXDQOS-CABZTGNLSA-N 2 1 226.295 1.138 20 0 BDADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420355071 192219195 /nfs/dbraw/zinc/21/91/95/192219195.db2.gz PQASCGAEGXDQOS-CABZTGNLSA-N 2 1 226.295 1.138 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOCC1CC1 ZINC000420356357 192219249 /nfs/dbraw/zinc/21/92/49/192219249.db2.gz GGMYDKUUVBKHQT-NSHDSACASA-N 2 1 214.353 1.376 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCc2ccccc21 ZINC000420356616 192219923 /nfs/dbraw/zinc/21/99/23/192219923.db2.gz RCCOURJRCBQFBS-GXTWGEPZSA-N 2 1 234.343 1.315 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCc2ccsc2C1 ZINC000420358038 192220530 /nfs/dbraw/zinc/22/05/30/192220530.db2.gz IVKNPRNPLADVRK-UHFFFAOYSA-N 2 1 226.345 1.082 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000420358059 192220555 /nfs/dbraw/zinc/22/05/55/192220555.db2.gz IZKFSSNGXTWEJX-LLVKDONJSA-N 2 1 242.363 1.117 20 0 BDADMP CCSCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420358813 192221641 /nfs/dbraw/zinc/22/16/41/192221641.db2.gz JGTBMXVRBMIWSQ-SECBINFHSA-N 2 1 204.383 1.703 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420359723 192221783 /nfs/dbraw/zinc/22/17/83/192221783.db2.gz KFJPBZLFUNJSNW-RYUDHWBXSA-N 3 1 227.396 1.339 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000420361029 192222472 /nfs/dbraw/zinc/22/24/72/192222472.db2.gz XQDAWKPOXCWWBQ-YPMHNXCESA-N 2 1 238.306 1.064 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@@H]1CCCO1 ZINC000420361907 192222704 /nfs/dbraw/zinc/22/27/04/192222704.db2.gz MUNDTJJNBOITMF-QWRGUYRKSA-N 2 1 214.353 1.519 20 0 BDADMP C[C@H]1CCCC[N@@H+](CCOCC[NH3+])C1 ZINC000420365710 192223478 /nfs/dbraw/zinc/22/34/78/192223478.db2.gz FEMDAGJWCLGUME-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP CC[N@H+]1CCN(CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000352657620 356397086 /nfs/dbraw/zinc/39/70/86/356397086.db2.gz BDLULNYINRQGQD-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000420393211 192236661 /nfs/dbraw/zinc/23/66/61/192236661.db2.gz BXKRCELARWNOFJ-KBPBESRZSA-N 2 1 218.344 1.946 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420394434 192236994 /nfs/dbraw/zinc/23/69/94/192236994.db2.gz KOMCDNUYDVKKQO-RYUDHWBXSA-N 2 1 236.363 1.264 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420415242 192240907 /nfs/dbraw/zinc/24/09/07/192240907.db2.gz UXPKLMNDNVEQCX-VXGBXAGGSA-N 2 1 242.363 1.245 20 0 BDADMP COCCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420375636 192231421 /nfs/dbraw/zinc/23/14/21/192231421.db2.gz TZSNAJXYTXQHPS-GRYCIOLGSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H](COC)C1 ZINC000420377154 192231889 /nfs/dbraw/zinc/23/18/89/192231889.db2.gz RRNOPIITGSFEGT-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414919680 491092279 /nfs/dbraw/zinc/09/22/79/491092279.db2.gz VPWKJCBPRMMNBW-MROQNXINSA-N 3 1 225.380 1.377 20 0 BDADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](C)O ZINC000352220010 134109196 /nfs/dbraw/zinc/10/91/96/134109196.db2.gz GGZSCDVHKHFAHF-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000020179818 356486776 /nfs/dbraw/zinc/48/67/76/356486776.db2.gz WOJXDOBOFKFIIC-ZDUSSCGKSA-N 2 1 225.380 1.156 20 0 BDADMP C[C@@H]1C[C@@H](CO)C[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000420944520 192276092 /nfs/dbraw/zinc/27/60/92/192276092.db2.gz QZVRTGICOVJISM-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@@H](CO)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000420944520 192276094 /nfs/dbraw/zinc/27/60/94/192276094.db2.gz QZVRTGICOVJISM-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@@H](CO)C[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000420944520 192276096 /nfs/dbraw/zinc/27/60/96/192276096.db2.gz QZVRTGICOVJISM-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000639614037 356531638 /nfs/dbraw/zinc/53/16/38/356531638.db2.gz WVECLRMKZJGYMM-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420930878 192286734 /nfs/dbraw/zinc/28/67/34/192286734.db2.gz CTYRZQZBXVDJLP-KBPBESRZSA-N 2 1 242.407 1.669 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397688073 363475537 /nfs/dbraw/zinc/47/55/37/363475537.db2.gz XVFPZKGZWGHPSP-LBELIVKGSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397688073 363475540 /nfs/dbraw/zinc/47/55/40/363475540.db2.gz XVFPZKGZWGHPSP-LBELIVKGSA-N 2 1 208.349 1.715 20 0 BDADMP Cc1nccn1CCN(C)C[C@@H]1CCC[N@H+]1C ZINC000421015245 192301323 /nfs/dbraw/zinc/30/13/23/192301323.db2.gz WYZLYYCVXWTMBO-ZDUSSCGKSA-N 2 1 236.363 1.218 20 0 BDADMP Cc1[nH+]ccn1CCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421015245 192301326 /nfs/dbraw/zinc/30/13/26/192301326.db2.gz WYZLYYCVXWTMBO-ZDUSSCGKSA-N 2 1 236.363 1.218 20 0 BDADMP C[C@H]1C[N@@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000336214852 134136087 /nfs/dbraw/zinc/13/60/87/134136087.db2.gz BKSPVNSYWITXMP-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H]1C[NH+](C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000336214852 134136088 /nfs/dbraw/zinc/13/60/88/134136088.db2.gz BKSPVNSYWITXMP-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3cnccn3)C2)C1 ZINC000639653661 356565118 /nfs/dbraw/zinc/56/51/18/356565118.db2.gz GQBZVOLSXZKQDA-CQSZACIVSA-N 2 1 246.358 1.047 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cnccn3)C2)C1 ZINC000639653661 356565119 /nfs/dbraw/zinc/56/51/19/356565119.db2.gz GQBZVOLSXZKQDA-CQSZACIVSA-N 2 1 246.358 1.047 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cnccn3)C2)C1 ZINC000639653661 356565121 /nfs/dbraw/zinc/56/51/21/356565121.db2.gz GQBZVOLSXZKQDA-CQSZACIVSA-N 2 1 246.358 1.047 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cnccn3)C2)C1 ZINC000639653661 356565123 /nfs/dbraw/zinc/56/51/23/356565123.db2.gz GQBZVOLSXZKQDA-CQSZACIVSA-N 2 1 246.358 1.047 20 0 BDADMP OCCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681986 356592608 /nfs/dbraw/zinc/59/26/08/356592608.db2.gz DEDGOQBWKTUTKA-UHFFFAOYSA-N 2 1 249.358 1.366 20 0 BDADMP CO[C@H]1CC[N@@H+](CCc2cncn2C)C[C@H]1C ZINC000639663568 356577322 /nfs/dbraw/zinc/57/73/22/356577322.db2.gz PRAIOJIRXZRCNN-YPMHNXCESA-N 2 1 237.347 1.319 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000130049309 325007339 /nfs/dbraw/zinc/00/73/39/325007339.db2.gz CXYJSIVPARVUJR-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000130049309 325007344 /nfs/dbraw/zinc/00/73/44/325007344.db2.gz CXYJSIVPARVUJR-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC000639757998 356664525 /nfs/dbraw/zinc/66/45/25/356664525.db2.gz OCVQNQSNNRIRBX-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000639758606 356667641 /nfs/dbraw/zinc/66/76/41/356667641.db2.gz WBYIDTGCORNPDN-UHFFFAOYSA-N 2 1 245.370 1.999 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC000639758531 356668984 /nfs/dbraw/zinc/66/89/84/356668984.db2.gz UICFOXLZUCCEOJ-UHFFFAOYSA-N 2 1 208.349 1.814 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450431564 202167072 /nfs/dbraw/zinc/16/70/72/202167072.db2.gz ZZIFKBORNBKRET-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000358232309 356863310 /nfs/dbraw/zinc/86/33/10/356863310.db2.gz UXGQAKZVKMDCLU-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP COC(=O)c1coc([C@H](C)[NH2+]CCC[NH3+])c1 ZINC000423197436 192621644 /nfs/dbraw/zinc/62/16/44/192621644.db2.gz ZJTKEDQKNIFNMG-QMMMGPOBSA-N 2 1 226.276 1.066 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156252152 538775138 /nfs/dbraw/zinc/77/51/38/538775138.db2.gz VOCCZUXRNFBRGP-BFHYXJOUSA-N 2 1 241.423 1.789 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000300409379 357041211 /nfs/dbraw/zinc/04/12/11/357041211.db2.gz ZGAXGIOKAZGFNJ-VXGBXAGGSA-N 2 1 243.395 1.350 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000582306190 357043078 /nfs/dbraw/zinc/04/30/78/357043078.db2.gz FLXAQLXAMJNZSW-VXGBXAGGSA-N 2 1 216.369 1.325 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000399997673 357144979 /nfs/dbraw/zinc/14/49/79/357144979.db2.gz LITANOTYHFDMHO-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305158147 357186042 /nfs/dbraw/zinc/18/60/42/357186042.db2.gz WJODRDJVQGBHEF-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)[C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000393758633 357296709 /nfs/dbraw/zinc/29/67/09/357296709.db2.gz UQLFDOGBYFFYQA-YPMHNXCESA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)[C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000393758633 357296711 /nfs/dbraw/zinc/29/67/11/357296711.db2.gz UQLFDOGBYFFYQA-YPMHNXCESA-N 2 1 228.380 1.323 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000582912807 357434462 /nfs/dbraw/zinc/43/44/62/357434462.db2.gz IEJDRPVOZZGNAT-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000582912807 357434465 /nfs/dbraw/zinc/43/44/65/357434465.db2.gz IEJDRPVOZZGNAT-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000582912807 357434469 /nfs/dbraw/zinc/43/44/69/357434469.db2.gz IEJDRPVOZZGNAT-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000582912807 357434472 /nfs/dbraw/zinc/43/44/72/357434472.db2.gz IEJDRPVOZZGNAT-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C1CCC1 ZINC000583151997 357495751 /nfs/dbraw/zinc/49/57/51/357495751.db2.gz NOSBDEYONJESQK-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C1CCC1 ZINC000583151997 357495756 /nfs/dbraw/zinc/49/57/56/357495756.db2.gz NOSBDEYONJESQK-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1CCC1 ZINC000583151997 357495758 /nfs/dbraw/zinc/49/57/58/357495758.db2.gz NOSBDEYONJESQK-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1CCC1 ZINC000583151997 357495761 /nfs/dbraw/zinc/49/57/61/357495761.db2.gz NOSBDEYONJESQK-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP COCC1(CC[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000583024055 357452591 /nfs/dbraw/zinc/45/25/91/357452591.db2.gz FMZOSTYNMPCVOJ-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC(C)C ZINC000396822194 357484551 /nfs/dbraw/zinc/48/45/51/357484551.db2.gz CMROZPUUGLZAST-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CC[N@H+]1C ZINC000230898259 357577961 /nfs/dbraw/zinc/57/79/61/357577961.db2.gz WKWUASWJAZLGAA-WCQYABFASA-N 2 1 236.363 1.035 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000188565810 357562983 /nfs/dbraw/zinc/56/29/83/357562983.db2.gz PREDPNGXNSVWQA-WCQYABFASA-N 2 1 226.364 1.580 20 0 BDADMP CCCCOCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671030 357618561 /nfs/dbraw/zinc/61/85/61/357618561.db2.gz RLCHHAYLUXDEFD-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP Cc1c[nH+]ccc1N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000192567091 357844524 /nfs/dbraw/zinc/84/45/24/357844524.db2.gz YVUZRHFEEDRTNN-OLZOCXBDSA-N 2 1 249.358 1.911 20 0 BDADMP C[C@@H]1CN(C)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000235479076 357871282 /nfs/dbraw/zinc/87/12/82/357871282.db2.gz DOALNLRSWXMMOR-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN(C)C[C@@H]1CCC[N@H+]1C ZINC000086189471 357871824 /nfs/dbraw/zinc/87/18/24/357871824.db2.gz UHFOCANZFIPYJG-OLZOCXBDSA-N 2 1 227.396 1.386 20 0 BDADMP C[C@@H](O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983431 358026309 /nfs/dbraw/zinc/02/63/09/358026309.db2.gz HRMMRQITAFPBPP-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H](CN[C@@H]1CCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000217536396 134248512 /nfs/dbraw/zinc/24/85/12/134248512.db2.gz YUYHNMXRYUNXOX-NWDGAFQWSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N(C)C1CC1 ZINC000217536396 134248513 /nfs/dbraw/zinc/24/85/13/134248513.db2.gz YUYHNMXRYUNXOX-NWDGAFQWSA-N 2 1 225.380 1.201 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000220938268 358063306 /nfs/dbraw/zinc/06/33/06/358063306.db2.gz KKNUVNWJHGQVAP-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@@H+]1C ZINC000220938268 358063308 /nfs/dbraw/zinc/06/33/08/358063308.db2.gz KKNUVNWJHGQVAP-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@H+]1C ZINC000220938268 358063311 /nfs/dbraw/zinc/06/33/11/358063311.db2.gz KKNUVNWJHGQVAP-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000584867929 358208022 /nfs/dbraw/zinc/20/80/22/358208022.db2.gz ORMHYOQULKTYON-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000584867929 358208027 /nfs/dbraw/zinc/20/80/27/358208027.db2.gz ORMHYOQULKTYON-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000584867929 358208030 /nfs/dbraw/zinc/20/80/30/358208030.db2.gz ORMHYOQULKTYON-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000225714873 358332221 /nfs/dbraw/zinc/33/22/21/358332221.db2.gz LCXXFTUKXPZAJV-YVECIDJPSA-N 2 1 226.364 1.328 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226330613 358337016 /nfs/dbraw/zinc/33/70/16/358337016.db2.gz XQEWHBHTGFVYIV-CHWSQXEVSA-N 3 1 227.396 1.576 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226330613 358337021 /nfs/dbraw/zinc/33/70/21/358337021.db2.gz XQEWHBHTGFVYIV-CHWSQXEVSA-N 3 1 227.396 1.576 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226330613 358337023 /nfs/dbraw/zinc/33/70/23/358337023.db2.gz XQEWHBHTGFVYIV-CHWSQXEVSA-N 3 1 227.396 1.576 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)S1 ZINC000226670108 358342646 /nfs/dbraw/zinc/34/26/46/358342646.db2.gz IQBNLJRJNPAIIW-TUAOUCFPSA-N 2 1 228.405 1.812 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228328848 358373885 /nfs/dbraw/zinc/37/38/85/358373885.db2.gz JEJKDUKKJBNMBE-BXKDBHETSA-N 2 1 222.336 1.040 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228328848 358373890 /nfs/dbraw/zinc/37/38/90/358373890.db2.gz JEJKDUKKJBNMBE-BXKDBHETSA-N 2 1 222.336 1.040 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccno3)C[C@H]21 ZINC000228474571 358375694 /nfs/dbraw/zinc/37/56/94/358375694.db2.gz RIYWGXPNENGPIK-MVWJERBFSA-N 2 1 221.304 1.234 20 0 BDADMP COC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000219299743 134277198 /nfs/dbraw/zinc/27/71/98/134277198.db2.gz NTYKRDFNCCTRQQ-ACDMLXGOSA-N 2 1 224.348 1.379 20 0 BDADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000107369855 358438938 /nfs/dbraw/zinc/43/89/38/358438938.db2.gz VZMIMCUYLRWHHV-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[C@@H](C)C[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402049 358537911 /nfs/dbraw/zinc/53/79/11/358537911.db2.gz TZRPQCARGPTRFO-SECBINFHSA-N 2 1 240.351 1.741 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402049 358537920 /nfs/dbraw/zinc/53/79/20/358537920.db2.gz TZRPQCARGPTRFO-SECBINFHSA-N 2 1 240.351 1.741 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000049264131 358678504 /nfs/dbraw/zinc/67/85/04/358678504.db2.gz QZZQZFBKCOWWGV-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP NC[C@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000049312612 358681742 /nfs/dbraw/zinc/68/17/42/358681742.db2.gz WPKLATGQLYXEJA-SECBINFHSA-N 2 1 240.269 1.379 20 0 BDADMP NC[C@H]1CCC[N@H+]1CCCOCC(F)(F)F ZINC000049312612 358681745 /nfs/dbraw/zinc/68/17/45/358681745.db2.gz WPKLATGQLYXEJA-SECBINFHSA-N 2 1 240.269 1.379 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000049312612 358681748 /nfs/dbraw/zinc/68/17/48/358681748.db2.gz WPKLATGQLYXEJA-SECBINFHSA-N 2 1 240.269 1.379 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CCCOCC(F)(F)F ZINC000049312612 358681751 /nfs/dbraw/zinc/68/17/51/358681751.db2.gz WPKLATGQLYXEJA-SECBINFHSA-N 2 1 240.269 1.379 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000131859547 358697818 /nfs/dbraw/zinc/69/78/18/358697818.db2.gz SRRWCBVAVNXQBC-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000131859547 358697821 /nfs/dbraw/zinc/69/78/21/358697821.db2.gz SRRWCBVAVNXQBC-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000132280129 358715125 /nfs/dbraw/zinc/71/51/25/358715125.db2.gz QDFQLBWVWRWURM-QWRGUYRKSA-N 2 1 226.364 1.626 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000051990797 358769591 /nfs/dbraw/zinc/76/95/91/358769591.db2.gz BFZWPHAMTOLSRV-CHWSQXEVSA-N 2 1 226.364 1.364 20 0 BDADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000219843042 134292340 /nfs/dbraw/zinc/29/23/40/134292340.db2.gz FBRAVEPSPDBDDI-NSHDSACASA-N 2 1 222.307 1.915 20 0 BDADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000219843042 134292341 /nfs/dbraw/zinc/29/23/41/134292341.db2.gz FBRAVEPSPDBDDI-NSHDSACASA-N 2 1 222.307 1.915 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCn2cccn2)[C@H](C)C1 ZINC000134076646 358779150 /nfs/dbraw/zinc/77/91/50/358779150.db2.gz CNRNDYLSULFQQC-OLZOCXBDSA-N 2 1 236.363 1.203 20 0 BDADMP C[N@H+]1CCCN(CCC[NH2+]C2CCCC2)CC1 ZINC000053498899 358829643 /nfs/dbraw/zinc/82/96/43/358829643.db2.gz KLBFDMMMZSGPGX-UHFFFAOYSA-N 2 1 239.407 1.546 20 0 BDADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000070013314 359039163 /nfs/dbraw/zinc/03/91/63/359039163.db2.gz YDRHQZBNZYDVND-GFCCVEGCSA-N 2 1 224.348 1.382 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000246445586 359090099 /nfs/dbraw/zinc/09/00/99/359090099.db2.gz OEWDKMXAAWOSJK-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423323726 192707595 /nfs/dbraw/zinc/70/75/95/192707595.db2.gz KDURKZSJVJKYHS-YVECIDJPSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070356996 359051565 /nfs/dbraw/zinc/05/15/65/359051565.db2.gz UVFMYKFGSFMWDN-FRRDWIJNSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000246678245 359156726 /nfs/dbraw/zinc/15/67/26/359156726.db2.gz GCZIDCWGIBDUCF-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623443755 359333465 /nfs/dbraw/zinc/33/34/65/359333465.db2.gz MDVHRWZLSKBJBZ-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1[nH+]ccn1CCCN(C)Cc1ncc[nH]1 ZINC000580460619 359566917 /nfs/dbraw/zinc/56/69/17/359566917.db2.gz ZFPJQELNJWORJU-UHFFFAOYSA-N 2 1 233.319 1.437 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000308992232 491142076 /nfs/dbraw/zinc/14/20/76/491142076.db2.gz LMPQKFWKZLQTBN-SNVBAGLBSA-N 2 1 218.291 1.858 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC000083998701 359807396 /nfs/dbraw/zinc/80/73/96/359807396.db2.gz XLRPZWJSSDLKCJ-UHFFFAOYSA-N 2 1 244.342 1.747 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C1CC[NH2+]CC1 ZINC000087179276 359900133 /nfs/dbraw/zinc/90/01/33/359900133.db2.gz AAKPMJRWEODSSC-UHFFFAOYSA-N 2 1 220.316 1.576 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)C1CC[NH2+]CC1 ZINC000087179276 359900139 /nfs/dbraw/zinc/90/01/39/359900139.db2.gz AAKPMJRWEODSSC-UHFFFAOYSA-N 2 1 220.316 1.576 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000087409480 359911450 /nfs/dbraw/zinc/91/14/50/359911450.db2.gz GCCQTHBAHCJZHL-MNOVXSKESA-N 2 1 238.379 1.719 20 0 BDADMP OCC[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000087647844 359922559 /nfs/dbraw/zinc/92/25/59/359922559.db2.gz MQCIRMUETNBKHH-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP CCc1cc(N2CCCC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000088760586 359977608 /nfs/dbraw/zinc/97/76/08/359977608.db2.gz SEDAXSMFFPYGSL-GFCCVEGCSA-N 2 1 234.347 1.665 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000089140142 359992908 /nfs/dbraw/zinc/99/29/08/359992908.db2.gz RLMMKGXGAVDKTE-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000089147732 359993922 /nfs/dbraw/zinc/99/39/22/359993922.db2.gz IPFOZEKAYJUQQA-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)nn2C)C1 ZINC000089182768 359998255 /nfs/dbraw/zinc/99/82/55/359998255.db2.gz REQGBZSPHDOOKC-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)nn2C)C1 ZINC000089182768 359998260 /nfs/dbraw/zinc/99/82/60/359998260.db2.gz REQGBZSPHDOOKC-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP CC[C@H](C)[C@@H]([NH2+]CC1CC[NH2+]CC1)C(=O)OC ZINC000094010054 360294774 /nfs/dbraw/zinc/29/47/74/360294774.db2.gz NXHHPZKDGJLYBC-CMPLNLGQSA-N 2 1 242.363 1.163 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000094797366 360318187 /nfs/dbraw/zinc/31/81/87/360318187.db2.gz UADRXLOMCHJAKD-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631198921 360760799 /nfs/dbraw/zinc/76/07/99/360760799.db2.gz MWFJXJAOOCQSCP-HZSPNIEDSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1nc2ccccc2n1C ZINC000414871082 219883155 /nfs/dbraw/zinc/88/31/55/219883155.db2.gz CUGZGZNXJCMDLW-SNVBAGLBSA-N 2 1 232.331 1.258 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423016343 200855468 /nfs/dbraw/zinc/85/54/68/200855468.db2.gz MHYCRCKLMKWQAJ-AVGNSLFASA-N 2 1 240.391 1.514 20 0 BDADMP C[C@@H](CC1CCOCC1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629409401 361058110 /nfs/dbraw/zinc/05/81/10/361058110.db2.gz APKZKOBJJKULRD-DYEKYZERSA-N 2 1 240.391 1.922 20 0 BDADMP FCC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629502183 361102625 /nfs/dbraw/zinc/10/26/25/361102625.db2.gz UXIZGNYLTKUXRX-LBPRGKRZSA-N 2 1 230.327 1.046 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C1CC1 ZINC000629509368 361103079 /nfs/dbraw/zinc/10/30/79/361103079.db2.gz DKVMSEQDUOPGRR-RAIGVLPGSA-N 2 1 226.364 1.471 20 0 BDADMP Cc1ccncc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000629512544 361107679 /nfs/dbraw/zinc/10/76/79/361107679.db2.gz BCKKFDHSCZUWFD-CYBMUJFWSA-N 2 1 221.348 1.853 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@H]1C[NH2+]C)C1CC1 ZINC000629513979 361111011 /nfs/dbraw/zinc/11/10/11/361111011.db2.gz NPZOZGRCGVNQFU-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@H]1C[NH2+]C)C1CC1 ZINC000629513979 361111017 /nfs/dbraw/zinc/11/10/17/361111017.db2.gz NPZOZGRCGVNQFU-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ccncc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000629514797 361112652 /nfs/dbraw/zinc/11/26/52/361112652.db2.gz OYCXLSJYZGNYJQ-CYBMUJFWSA-N 2 1 219.332 1.607 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000629527518 361130539 /nfs/dbraw/zinc/13/05/39/361130539.db2.gz XTLONYRIBBDNNL-MMVSWEMESA-N 2 1 212.337 1.020 20 0 BDADMP Nc1ncccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000629529011 361138662 /nfs/dbraw/zinc/13/86/62/361138662.db2.gz PEZRNLCYZLHMOY-NSHDSACASA-N 2 1 234.347 1.225 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C1(C)C ZINC000629526303 361127412 /nfs/dbraw/zinc/12/74/12/361127412.db2.gz PHZOTCWSCRLMLC-RNJOBUHISA-N 2 1 240.391 1.920 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000158578508 361205432 /nfs/dbraw/zinc/20/54/32/361205432.db2.gz AKWSTVFHFIXRPW-NXEZZACHSA-N 2 1 202.367 1.409 20 0 BDADMP COCCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000158502811 361200783 /nfs/dbraw/zinc/20/07/83/361200783.db2.gz SGBNOVCBRBDNHN-UHFFFAOYSA-N 2 1 200.326 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCOC ZINC000158524751 361202056 /nfs/dbraw/zinc/20/20/56/361202056.db2.gz QZOJXPXFKAKIGF-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCOC ZINC000158524751 361202062 /nfs/dbraw/zinc/20/20/62/361202062.db2.gz QZOJXPXFKAKIGF-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP CCSCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000158567518 361204229 /nfs/dbraw/zinc/20/42/29/361204229.db2.gz HMOPAZVEBSLSED-SNVBAGLBSA-N 2 1 202.367 1.410 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000579005275 366694251 /nfs/dbraw/zinc/69/42/51/366694251.db2.gz UGURLOVPAYJQMJ-HZSPNIEDSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534054 361303073 /nfs/dbraw/zinc/30/30/73/361303073.db2.gz JZXWTNJKSYDFMX-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000622044990 370678843 /nfs/dbraw/zinc/67/88/43/370678843.db2.gz ZLVCZAUAKRZKFB-VHSXEESVSA-N 2 1 236.363 1.237 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1(CO)CCC1 ZINC000429233532 201080548 /nfs/dbraw/zinc/08/05/48/201080548.db2.gz MLRGLOMPZNIYBR-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1(CO)CCC1 ZINC000429233532 201080549 /nfs/dbraw/zinc/08/05/49/201080549.db2.gz MLRGLOMPZNIYBR-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1(CO)CCC1 ZINC000429233532 201080552 /nfs/dbraw/zinc/08/05/52/201080552.db2.gz MLRGLOMPZNIYBR-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@H](O)CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429560506 201115821 /nfs/dbraw/zinc/11/58/21/201115821.db2.gz ZHVXYBQCALZFQP-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000629540994 361415496 /nfs/dbraw/zinc/41/54/96/361415496.db2.gz ZLGGRXFZBWPOFW-FQUUOJAGSA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+]CCC[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629545883 361426844 /nfs/dbraw/zinc/42/68/44/361426844.db2.gz AMWQSKGITBRJGG-AOOOYVTPSA-N 2 1 220.307 1.819 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCCC1 ZINC000629546856 361428907 /nfs/dbraw/zinc/42/89/07/361428907.db2.gz XZHYQMPLLSVEFU-UHTWSYAYSA-N 2 1 226.364 1.532 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629548112 361432424 /nfs/dbraw/zinc/43/24/24/361432424.db2.gz CXBHBOLGZQBFBY-RWMBFGLXSA-N 2 1 225.380 1.330 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629548112 361432427 /nfs/dbraw/zinc/43/24/27/361432427.db2.gz CXBHBOLGZQBFBY-RWMBFGLXSA-N 2 1 225.380 1.330 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000629548529 361434621 /nfs/dbraw/zinc/43/46/21/361434621.db2.gz PTNUQWNZLLQLKZ-MROQNXINSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629553723 361440223 /nfs/dbraw/zinc/44/02/23/361440223.db2.gz XFEAQJNZPUDREV-OUAUKWLOSA-N 2 1 232.318 1.819 20 0 BDADMP CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564492 361459466 /nfs/dbraw/zinc/45/94/66/361459466.db2.gz LNBAQWNDAKEFFC-IUCAKERBSA-N 2 1 224.270 1.856 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC1CCCC1 ZINC000629571871 361463810 /nfs/dbraw/zinc/46/38/10/361463810.db2.gz RUEMOVYHBMJVEF-UHFFFAOYSA-N 2 1 214.353 1.344 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381458098 361464753 /nfs/dbraw/zinc/46/47/53/361464753.db2.gz IYYVSAOLVFTWMG-LLVKDONJSA-N 2 1 222.336 1.230 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381458098 361464759 /nfs/dbraw/zinc/46/47/59/361464759.db2.gz IYYVSAOLVFTWMG-LLVKDONJSA-N 2 1 222.336 1.230 20 0 BDADMP FCC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629580708 361469811 /nfs/dbraw/zinc/46/98/11/361469811.db2.gz FADQBMAXEHAUNY-CHWSQXEVSA-N 2 1 244.354 1.437 20 0 BDADMP FCC[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580706 361469829 /nfs/dbraw/zinc/46/98/29/361469829.db2.gz FACFRZGVFOCJMN-RYUDHWBXSA-N 2 1 230.327 1.046 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1F ZINC000629581066 361471035 /nfs/dbraw/zinc/47/10/35/361471035.db2.gz LUJSRABGZFSOOH-UHFFFAOYSA-N 2 1 240.322 1.541 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592332 361485168 /nfs/dbraw/zinc/48/51/68/361485168.db2.gz AKESTYZBFUAQKA-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592332 361485174 /nfs/dbraw/zinc/48/51/74/361485174.db2.gz AKESTYZBFUAQKA-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1C(F)(F)F ZINC000629561775 361456509 /nfs/dbraw/zinc/45/65/09/361456509.db2.gz JGZHHOKESWXCBW-NXEZZACHSA-N 2 1 236.281 1.856 20 0 BDADMP COCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566525 361457726 /nfs/dbraw/zinc/45/77/26/361457726.db2.gz ZLTQZNVXWUANCO-BDAKNGLRSA-N 2 1 240.269 1.092 20 0 BDADMP COCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566525 361457732 /nfs/dbraw/zinc/45/77/32/361457732.db2.gz ZLTQZNVXWUANCO-BDAKNGLRSA-N 2 1 240.269 1.092 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000629647018 361535591 /nfs/dbraw/zinc/53/55/91/361535591.db2.gz JHNJPXGLFFIOIC-JQWIXIFHSA-N 2 1 210.321 1.002 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC1=Cc2ccccc2OC1)C1CC1 ZINC000629654430 361558742 /nfs/dbraw/zinc/55/87/42/361558742.db2.gz OLZRHEKOYVAPTQ-AWEZNQCLSA-N 2 1 244.338 1.789 20 0 BDADMP [NH3+][C@H](C[NH2+]CC1=Cc2ccccc2OC1)C1CC1 ZINC000629647728 361537746 /nfs/dbraw/zinc/53/77/46/361537746.db2.gz GPDGVGRJRJXZFH-CQSZACIVSA-N 2 1 244.338 1.789 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648050 361538845 /nfs/dbraw/zinc/53/88/45/361538845.db2.gz FUJGJEJVFDBJBB-YRGRVCCFSA-N 2 1 235.375 1.830 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]CC1=CCCOC1 ZINC000629648184 361540693 /nfs/dbraw/zinc/54/06/93/361540693.db2.gz QXJHJTFBOHJNML-GFCCVEGCSA-N 2 1 212.337 1.296 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000163730360 361562863 /nfs/dbraw/zinc/56/28/63/361562863.db2.gz SLUCFEFZDPBQQG-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000163730360 361562872 /nfs/dbraw/zinc/56/28/72/361562872.db2.gz SLUCFEFZDPBQQG-WCQYABFASA-N 2 1 204.317 1.823 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC1=CCCOC1)C1CCCC1 ZINC000629648586 361542426 /nfs/dbraw/zinc/54/24/26/361542426.db2.gz RREUVKXGFNHVLP-ZDUSSCGKSA-N 2 1 224.348 1.440 20 0 BDADMP Cc1cnccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000629649068 361543740 /nfs/dbraw/zinc/54/37/40/361543740.db2.gz GXLPBIGNXFUVDZ-YPMHNXCESA-N 2 1 219.332 1.620 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccn(C)c1 ZINC000629649894 361546891 /nfs/dbraw/zinc/54/68/91/361546891.db2.gz JVWCGXHAEUFATP-JQWIXIFHSA-N 2 1 207.321 1.337 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccn(C)c2)[C@H]1CC[NH3+] ZINC000629650703 361548563 /nfs/dbraw/zinc/54/85/63/361548563.db2.gz ZTAASMMBWUNKBA-OCCSQVGLSA-N 2 1 235.375 1.974 20 0 BDADMP C1=C(C[N@@H+](C2CC2)C2CC[NH2+]CC2)COCC1 ZINC000629652127 361549622 /nfs/dbraw/zinc/54/96/22/361549622.db2.gz WPRKAXTVDNYFFB-UHFFFAOYSA-N 2 1 236.359 1.550 20 0 BDADMP C[C@@H]1CCC[N@H+](CC2=CCCOC2)[C@@H]1C[NH3+] ZINC000629652088 361549944 /nfs/dbraw/zinc/54/99/44/361549944.db2.gz VUJWULKDGHDBMQ-DGCLKSJQSA-N 2 1 224.348 1.392 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2=CCCOC2)[C@@H]1C[NH3+] ZINC000629652088 361549947 /nfs/dbraw/zinc/54/99/47/361549947.db2.gz VUJWULKDGHDBMQ-DGCLKSJQSA-N 2 1 224.348 1.392 20 0 BDADMP C[N@H+](C/C=C/c1ccccc1)CCOCC[NH3+] ZINC000629663012 361595507 /nfs/dbraw/zinc/59/55/07/361595507.db2.gz JEJDQADWFUEFJK-VMPITWQZSA-N 2 1 234.343 1.607 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000309978839 491159248 /nfs/dbraw/zinc/15/92/48/491159248.db2.gz VGKXQSOYJNQDFK-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000154518368 201282343 /nfs/dbraw/zinc/28/23/43/201282343.db2.gz AJSCCWPJWGCKSV-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000154518368 201282345 /nfs/dbraw/zinc/28/23/45/201282345.db2.gz AJSCCWPJWGCKSV-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000154518368 201282347 /nfs/dbraw/zinc/28/23/47/201282347.db2.gz AJSCCWPJWGCKSV-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)CC[N@@H+]1C ZINC000154518368 201282350 /nfs/dbraw/zinc/28/23/50/201282350.db2.gz AJSCCWPJWGCKSV-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)CC[N@H+]1C ZINC000154518368 201282351 /nfs/dbraw/zinc/28/23/51/201282351.db2.gz AJSCCWPJWGCKSV-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH2+]C)C[C@H]1C ZINC000435878642 201291457 /nfs/dbraw/zinc/29/14/57/201291457.db2.gz DVKJYTYKYXNACJ-CHWSQXEVSA-N 2 1 227.396 1.401 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161932985 201305596 /nfs/dbraw/zinc/30/55/96/201305596.db2.gz JPOITCUOWQMBAR-MXWKQRLJSA-N 2 1 216.394 1.810 20 0 BDADMP CC[C@H](C[NH2+]CC[C@H]1CCOC1)[NH+]1CCCC1 ZINC000438075691 201385589 /nfs/dbraw/zinc/38/55/89/201385589.db2.gz GCYVNCGTZGGKOU-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(N)=[NH2+] ZINC000630387438 364102391 /nfs/dbraw/zinc/10/23/91/364102391.db2.gz PFNHCASMYODGPN-WCQYABFASA-N 2 1 246.358 1.238 20 0 BDADMP Cc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000080121180 370728768 /nfs/dbraw/zinc/72/87/68/370728768.db2.gz FRXUHUDZSNWNQJ-VXGBXAGGSA-N 2 1 217.316 1.041 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCO1 ZINC000398948518 364202085 /nfs/dbraw/zinc/20/20/85/364202085.db2.gz AUPLNLCSAGTSBA-WYUUTHIRSA-N 2 1 212.337 1.284 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)CO)CC1 ZINC000134174927 364393110 /nfs/dbraw/zinc/39/31/10/364393110.db2.gz DEXYZMVVYNNAPC-QWRGUYRKSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC12CCC2 ZINC000453105248 202702245 /nfs/dbraw/zinc/70/22/45/202702245.db2.gz WJBMVAXGMHICLL-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246513787 364599745 /nfs/dbraw/zinc/59/97/45/364599745.db2.gz UGUWOWOPXXZSDW-FRRDWIJNSA-N 2 1 242.407 1.856 20 0 BDADMP c1n[nH]cc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668640 364759781 /nfs/dbraw/zinc/75/97/81/364759781.db2.gz YTTCZAFETTUDMF-NEPJUHHUSA-N 2 1 220.320 1.126 20 0 BDADMP c1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668640 364759788 /nfs/dbraw/zinc/75/97/88/364759788.db2.gz YTTCZAFETTUDMF-NEPJUHHUSA-N 2 1 220.320 1.126 20 0 BDADMP c1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668640 364759795 /nfs/dbraw/zinc/75/97/95/364759795.db2.gz YTTCZAFETTUDMF-NEPJUHHUSA-N 2 1 220.320 1.126 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000580514355 364777287 /nfs/dbraw/zinc/77/72/87/364777287.db2.gz NPXYLMYZZFUHDW-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000573455266 364838093 /nfs/dbraw/zinc/83/80/93/364838093.db2.gz GKQFQAURZFOUKV-KOLCDFICSA-N 2 1 237.347 1.857 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000573455266 364838097 /nfs/dbraw/zinc/83/80/97/364838097.db2.gz GKQFQAURZFOUKV-KOLCDFICSA-N 2 1 237.347 1.857 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000328376893 364841674 /nfs/dbraw/zinc/84/16/74/364841674.db2.gz UFSYIUORQXFZLU-AAVRWANBSA-N 2 1 238.375 1.221 20 0 BDADMP c1cn(CCC[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cn1 ZINC000573718597 364900615 /nfs/dbraw/zinc/90/06/15/364900615.db2.gz SQHHOXVNKFQEQI-OLZOCXBDSA-N 2 1 235.331 1.384 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000333310555 541400863 /nfs/dbraw/zinc/40/08/63/541400863.db2.gz RRDOHMSKSGMUJU-SDDRHHMPSA-N 2 1 248.374 1.750 20 0 BDADMP C[C@H](C[NH3+])N(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000574037945 364972593 /nfs/dbraw/zinc/97/25/93/364972593.db2.gz OCKWOSWEDPTUHX-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C[C@H]1C ZINC000574050130 364977467 /nfs/dbraw/zinc/97/74/67/364977467.db2.gz BVFOWPJFJQVCRD-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)C[C@H]1C ZINC000574050130 364977470 /nfs/dbraw/zinc/97/74/70/364977470.db2.gz BVFOWPJFJQVCRD-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000574050130 364977472 /nfs/dbraw/zinc/97/74/72/364977472.db2.gz BVFOWPJFJQVCRD-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000574050130 364977477 /nfs/dbraw/zinc/97/74/77/364977477.db2.gz BVFOWPJFJQVCRD-VXGBXAGGSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000574069899 364979940 /nfs/dbraw/zinc/97/99/40/364979940.db2.gz AZGBVNOVXQKRQN-ZIAGYGMSSA-N 3 1 241.423 1.886 20 0 BDADMP [NH3+]CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000082929064 181391737 /nfs/dbraw/zinc/39/17/37/181391737.db2.gz NQLIAIVIKQFDPM-ZDUSSCGKSA-N 2 1 204.317 1.510 20 0 BDADMP [NH3+]CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000082929064 181391735 /nfs/dbraw/zinc/39/17/35/181391735.db2.gz NQLIAIVIKQFDPM-ZDUSSCGKSA-N 2 1 204.317 1.510 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000574749560 365132246 /nfs/dbraw/zinc/13/22/46/365132246.db2.gz KDBCVCJXZUUCLC-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000443070708 193012365 /nfs/dbraw/zinc/01/23/65/193012365.db2.gz LHNMHRGIXRTEKS-LLVKDONJSA-N 2 1 223.320 1.544 20 0 BDADMP Cc1nccc(NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000443957462 193031649 /nfs/dbraw/zinc/03/16/49/193031649.db2.gz CPPOGGDKHGXPRS-UHFFFAOYSA-N 2 1 248.374 1.741 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000575243500 365268122 /nfs/dbraw/zinc/26/81/22/365268122.db2.gz ANUQXCLPVPKKND-GWOFURMSSA-N 2 1 206.289 1.605 20 0 BDADMP CCCc1[nH+]ccn1C[C@@H](O)C[N@H+](C)C(C)C ZINC000379889845 365338482 /nfs/dbraw/zinc/33/84/82/365338482.db2.gz FSTDUYHGDDKMTE-LBPRGKRZSA-N 2 1 239.363 1.537 20 0 BDADMP CCCc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000379889845 365338484 /nfs/dbraw/zinc/33/84/84/365338484.db2.gz FSTDUYHGDDKMTE-LBPRGKRZSA-N 2 1 239.363 1.537 20 0 BDADMP C[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000575981840 365431177 /nfs/dbraw/zinc/43/11/77/365431177.db2.gz ZPMVTKLYRGHUDA-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP C[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000575981838 365431267 /nfs/dbraw/zinc/43/12/67/365431267.db2.gz ZPMVTKLYRGHUDA-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)CC[N@H+]1C ZINC000576203767 365520679 /nfs/dbraw/zinc/52/06/79/365520679.db2.gz QKTZEQDOXVQSFT-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C(C[NH2+]C[C@H]1CCSC1)C[NH+]1CCC1 ZINC000576121458 365494510 /nfs/dbraw/zinc/49/45/10/365494510.db2.gz CCGDKOJQNABQEK-LLVKDONJSA-N 2 1 214.378 1.425 20 0 BDADMP C(C[NH2+]C[C@H]1CCCOC1)C[NH+]1CCC1 ZINC000576172658 365510256 /nfs/dbraw/zinc/51/02/56/365510256.db2.gz TYVUGTIHMIFSCP-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2(F)CC2)C1 ZINC000580938172 367210401 /nfs/dbraw/zinc/21/04/01/367210401.db2.gz WOJZYBHOZWQYQO-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887654 370849594 /nfs/dbraw/zinc/84/95/94/370849594.db2.gz SUFVXAZAYJQVNX-TZMCWYRMSA-N 2 1 249.358 1.865 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887654 370849599 /nfs/dbraw/zinc/84/95/99/370849599.db2.gz SUFVXAZAYJQVNX-TZMCWYRMSA-N 2 1 249.358 1.865 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc2c1OCO2 ZINC000581020389 367238059 /nfs/dbraw/zinc/23/80/59/367238059.db2.gz WLFTUNHSLFPMSG-JQWIXIFHSA-N 2 1 248.326 1.727 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2c1OCO2 ZINC000581020389 367238064 /nfs/dbraw/zinc/23/80/64/367238064.db2.gz WLFTUNHSLFPMSG-JQWIXIFHSA-N 2 1 248.326 1.727 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000381470008 367413996 /nfs/dbraw/zinc/41/39/96/367413996.db2.gz NZQAICPEASKCPZ-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000381745157 367452625 /nfs/dbraw/zinc/45/26/25/367452625.db2.gz PWDVBEXTHIIRLC-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1ccc(CC[NH2+]C2CC[NH+](C)CC2)o1 ZINC000381766508 367455851 /nfs/dbraw/zinc/45/58/51/367455851.db2.gz VGIMRPWGPBQWMP-UHFFFAOYSA-N 2 1 222.332 1.814 20 0 BDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cnn(C)c1 ZINC000382586365 367544904 /nfs/dbraw/zinc/54/49/04/367544904.db2.gz UASQGHFPDXJULK-JTQLQIEISA-N 2 1 222.336 1.213 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCC[C@H]3O)C[C@@H]12 ZINC000383264912 367609505 /nfs/dbraw/zinc/60/95/05/367609505.db2.gz GLSZTQZNFPHBPQ-XVIXHAIJSA-N 2 1 238.375 1.207 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383787722 367652964 /nfs/dbraw/zinc/65/29/64/367652964.db2.gz QKWKSNPTYIIMDG-ZIAGYGMSSA-N 2 1 238.375 1.770 20 0 BDADMP CCCC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000383768362 367653094 /nfs/dbraw/zinc/65/30/94/367653094.db2.gz MVRCAOIPWROEMW-CYBMUJFWSA-N 2 1 240.391 1.611 20 0 BDADMP CCCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000383768362 367653100 /nfs/dbraw/zinc/65/31/00/367653100.db2.gz MVRCAOIPWROEMW-CYBMUJFWSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000384179736 367674702 /nfs/dbraw/zinc/67/47/02/367674702.db2.gz YZDDZPNFGMZSRS-HOAMVYINSA-N 2 1 240.391 1.467 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000581713695 367765605 /nfs/dbraw/zinc/76/56/05/367765605.db2.gz KOLOXKGSFHVKOM-GFCCVEGCSA-N 2 1 205.305 1.567 20 0 BDADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C1CC([NH3+])C1 ZINC000385169902 367803765 /nfs/dbraw/zinc/80/37/65/367803765.db2.gz MEEJKXLBRZGTEM-UHFFFAOYSA-N 2 1 248.326 1.379 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CC([NH3+])C1 ZINC000385169902 367803770 /nfs/dbraw/zinc/80/37/70/367803770.db2.gz MEEJKXLBRZGTEM-UHFFFAOYSA-N 2 1 248.326 1.379 20 0 BDADMP C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CC[N@H+]1C ZINC000566185307 326008977 /nfs/dbraw/zinc/00/89/77/326008977.db2.gz AZNLGRBAGXCKGJ-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386091181 367910694 /nfs/dbraw/zinc/91/06/94/367910694.db2.gz IEVBZJONANWBRZ-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000386161124 367922455 /nfs/dbraw/zinc/92/24/55/367922455.db2.gz UUUQOPCGUPUFNE-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000385991688 367894746 /nfs/dbraw/zinc/89/47/46/367894746.db2.gz FCDHUCOJILQYHX-VWYCJHECSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@H]([NH2+]CCc1ccncc1)[C@H]1CCCC[NH2+]1 ZINC000386553323 367990908 /nfs/dbraw/zinc/99/09/08/367990908.db2.gz HJAZTTLGPDEYER-GXTWGEPZSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@H]([NH2+]CCc1ccncc1)[C@@H]1CCCC[NH2+]1 ZINC000386553325 367991098 /nfs/dbraw/zinc/99/10/98/367991098.db2.gz HJAZTTLGPDEYER-JSGCOSHPSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@H]([NH2+]CCC(C)(C)O)[C@H]1CCCC[NH2+]1 ZINC000386622721 368003279 /nfs/dbraw/zinc/00/32/79/368003279.db2.gz YKKGHNQVRYDKTJ-WDEREUQCSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386483528 367980277 /nfs/dbraw/zinc/98/02/77/367980277.db2.gz SNGPCMRPTCYFTE-KGLIPLIRSA-N 2 1 241.423 1.839 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000566423170 326044400 /nfs/dbraw/zinc/04/44/00/326044400.db2.gz BZAKABKPWMNPFX-UTUOFQBUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000253180063 368591058 /nfs/dbraw/zinc/59/10/58/368591058.db2.gz DGHGXRJPSCUGGR-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)OC)C(C)C ZINC000567246702 326149545 /nfs/dbraw/zinc/14/95/45/326149545.db2.gz SDTKSAMDVXLIGV-CHWSQXEVSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C[C@@H](C)OC)C(C)C ZINC000567246702 326149546 /nfs/dbraw/zinc/14/95/46/326149546.db2.gz SDTKSAMDVXLIGV-CHWSQXEVSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000567246702 326149548 /nfs/dbraw/zinc/14/95/48/326149548.db2.gz SDTKSAMDVXLIGV-CHWSQXEVSA-N 2 1 246.395 1.044 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631821749 368974912 /nfs/dbraw/zinc/97/49/12/368974912.db2.gz HYNWUVIMRGDYNC-UMSGYPCISA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657182 368997749 /nfs/dbraw/zinc/99/77/49/368997749.db2.gz KYKMQIYUBKZVCE-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830131 369007175 /nfs/dbraw/zinc/00/71/75/369007175.db2.gz KUCAIUNIYUAUTO-RQJABVFESA-N 2 1 238.375 1.343 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623655861 368991685 /nfs/dbraw/zinc/99/16/85/368991685.db2.gz HSVWJABQILJNHI-CYBMUJFWSA-N 2 1 248.374 1.607 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000623655861 368991691 /nfs/dbraw/zinc/99/16/91/368991691.db2.gz HSVWJABQILJNHI-CYBMUJFWSA-N 2 1 248.374 1.607 20 0 BDADMP Cn1cncc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655726 368991814 /nfs/dbraw/zinc/99/18/14/368991814.db2.gz CVEUZEZZWJZIIN-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1cncc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655726 368991819 /nfs/dbraw/zinc/99/18/19/368991819.db2.gz CVEUZEZZWJZIIN-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCCCO1 ZINC000631827595 368992972 /nfs/dbraw/zinc/99/29/72/368992972.db2.gz RCVNEMUSOVQKAI-MNOVXSKESA-N 2 1 214.353 1.519 20 0 BDADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000631839202 369125999 /nfs/dbraw/zinc/12/59/99/369125999.db2.gz BVBXFSYCFGDZFK-VXGBXAGGSA-N 2 1 249.358 1.507 20 0 BDADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000631839202 369126004 /nfs/dbraw/zinc/12/60/04/369126004.db2.gz BVBXFSYCFGDZFK-VXGBXAGGSA-N 2 1 249.358 1.507 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000567654237 326239476 /nfs/dbraw/zinc/23/94/76/326239476.db2.gz BZQSODYRWFWUDH-MWLCHTKSSA-N 2 1 208.309 1.202 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000459410479 203275793 /nfs/dbraw/zinc/27/57/93/203275793.db2.gz RZZALCTUEMBWRS-KGLIPLIRSA-N 2 1 249.358 1.510 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](C)O)[C@H](C)C1 ZINC000459382364 203269954 /nfs/dbraw/zinc/26/99/54/203269954.db2.gz SYKDGORQPBJIEC-IJLUTSLNSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](C)O)[C@H](C)C1 ZINC000459382364 203269957 /nfs/dbraw/zinc/26/99/57/203269957.db2.gz SYKDGORQPBJIEC-IJLUTSLNSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](C)O)[C@H](C)C1 ZINC000459382364 203269959 /nfs/dbraw/zinc/26/99/59/203269959.db2.gz SYKDGORQPBJIEC-IJLUTSLNSA-N 2 1 214.353 1.029 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404397468 369428114 /nfs/dbraw/zinc/42/81/14/369428114.db2.gz PKUFRTQSBVFXPM-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@H]1C[C@H](N)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000631861731 369469949 /nfs/dbraw/zinc/46/99/49/369469949.db2.gz HZGRMGKPHJJMHK-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@H](N)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000631861731 369469955 /nfs/dbraw/zinc/46/99/55/369469955.db2.gz HZGRMGKPHJJMHK-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000631861731 369469960 /nfs/dbraw/zinc/46/99/60/369469960.db2.gz HZGRMGKPHJJMHK-AAEUAGOBSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000631861731 369469965 /nfs/dbraw/zinc/46/99/65/369469965.db2.gz HZGRMGKPHJJMHK-AAEUAGOBSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ncc[nH]2)C1 ZINC000459732650 203345498 /nfs/dbraw/zinc/34/54/98/203345498.db2.gz MHTZYEIOHDNLEB-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459737946 203346618 /nfs/dbraw/zinc/34/66/18/203346618.db2.gz IOCFFJJSXBFSFP-KGLIPLIRSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459734494 203347560 /nfs/dbraw/zinc/34/75/60/203347560.db2.gz CMJJGXCPQQZYMX-DGAVXFQQSA-N 2 1 238.375 1.770 20 0 BDADMP FC(F)COCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889759 370990967 /nfs/dbraw/zinc/99/09/67/370990967.db2.gz MEMBZAYGCYDVTQ-MNOVXSKESA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)COCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889759 370990970 /nfs/dbraw/zinc/99/09/70/370990970.db2.gz MEMBZAYGCYDVTQ-MNOVXSKESA-N 2 1 248.317 1.342 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000621249398 370182967 /nfs/dbraw/zinc/18/29/67/370182967.db2.gz RLGHDHXRWNLEHR-CHWSQXEVSA-N 2 1 217.316 1.041 20 0 BDADMP CCn1nccc1CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000621774671 370521860 /nfs/dbraw/zinc/52/18/60/370521860.db2.gz ZYGASAHWAWACSO-UHFFFAOYSA-N 2 1 236.363 1.129 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccn1 ZINC000621775797 370523120 /nfs/dbraw/zinc/52/31/20/370523120.db2.gz YYVXXWMFBUNHSI-YPMHNXCESA-N 2 1 219.332 1.559 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000621776289 370524278 /nfs/dbraw/zinc/52/42/78/370524278.db2.gz IBGSZWHVSOGUHL-DGCLKSJQSA-N 2 1 236.363 1.257 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000621776248 370524388 /nfs/dbraw/zinc/52/43/88/370524388.db2.gz GTIPDCPWWIZMEJ-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000621776248 370524391 /nfs/dbraw/zinc/52/43/91/370524391.db2.gz GTIPDCPWWIZMEJ-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000621778454 370527832 /nfs/dbraw/zinc/52/78/32/370527832.db2.gz PRGSGJBIICBQTF-KBPBESRZSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000621778454 370527835 /nfs/dbraw/zinc/52/78/35/370527835.db2.gz PRGSGJBIICBQTF-KBPBESRZSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781412 370530587 /nfs/dbraw/zinc/53/05/87/370530587.db2.gz DQOVXESFPVHOOA-KBPBESRZSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781412 370530592 /nfs/dbraw/zinc/53/05/92/370530592.db2.gz DQOVXESFPVHOOA-KBPBESRZSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781412 370530597 /nfs/dbraw/zinc/53/05/97/370530597.db2.gz DQOVXESFPVHOOA-KBPBESRZSA-N 2 1 237.391 1.189 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782697 370532670 /nfs/dbraw/zinc/53/26/70/370532670.db2.gz RPVDZYMWOROMIS-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782697 370532673 /nfs/dbraw/zinc/53/26/73/370532673.db2.gz RPVDZYMWOROMIS-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784478 370535739 /nfs/dbraw/zinc/53/57/39/370535739.db2.gz PNJUQRKJEWUDRJ-MCIONIFRSA-N 3 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784478 370535740 /nfs/dbraw/zinc/53/57/40/370535740.db2.gz PNJUQRKJEWUDRJ-MCIONIFRSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000621784478 370535744 /nfs/dbraw/zinc/53/57/44/370535744.db2.gz PNJUQRKJEWUDRJ-MCIONIFRSA-N 2 1 237.391 1.189 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccn1 ZINC000391136473 371268442 /nfs/dbraw/zinc/26/84/42/371268442.db2.gz IVCUZMVXQCFDNN-ZDUSSCGKSA-N 2 1 233.359 1.868 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000624122012 371323108 /nfs/dbraw/zinc/32/31/08/371323108.db2.gz ICDZMPQIUZSIAB-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccncc1 ZINC000401703674 371801453 /nfs/dbraw/zinc/80/14/53/371801453.db2.gz BWFBDAVKFOOZHV-UHFFFAOYSA-N 2 1 216.288 1.147 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000631826342 372603410 /nfs/dbraw/zinc/60/34/10/372603410.db2.gz LHEAFVGYZAHRFM-UMSGYPCISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000631826342 372603416 /nfs/dbraw/zinc/60/34/16/372603416.db2.gz LHEAFVGYZAHRFM-UMSGYPCISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820500 372593280 /nfs/dbraw/zinc/59/32/80/372593280.db2.gz BBWWORVPCJPKGN-NEPJUHHUSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000631822620 372598849 /nfs/dbraw/zinc/59/88/49/372598849.db2.gz JMICQCRONFGKOL-HOSYDEDBSA-N 2 1 212.337 1.128 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCO[C@H]1C ZINC000631822169 372599197 /nfs/dbraw/zinc/59/91/97/372599197.db2.gz UZFHFARMNHNHIY-RWMBFGLXSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000631827673 372607389 /nfs/dbraw/zinc/60/73/89/372607389.db2.gz UHOLKMFNFISUIP-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1CCCCO1 ZINC000631828974 372610939 /nfs/dbraw/zinc/61/09/39/372610939.db2.gz CWHLSIBVSIGNJX-MOKVOYLWSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1CCCCO1 ZINC000631828974 372610945 /nfs/dbraw/zinc/61/09/45/372610945.db2.gz CWHLSIBVSIGNJX-MOKVOYLWSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000631830532 372612541 /nfs/dbraw/zinc/61/25/41/372612541.db2.gz UZRMBZNSXJWZLB-QNWHQSFQSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000631830533 372612677 /nfs/dbraw/zinc/61/26/77/372612677.db2.gz UZRMBZNSXJWZLB-RNJOBUHISA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@H]1CCCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000631834695 372620389 /nfs/dbraw/zinc/62/03/89/372620389.db2.gz DEXKVVSEUQDOAF-STQMWFEESA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000631834695 372620396 /nfs/dbraw/zinc/62/03/96/372620396.db2.gz DEXKVVSEUQDOAF-STQMWFEESA-N 2 1 226.364 1.759 20 0 BDADMP Cc1nccn1CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837789 372630066 /nfs/dbraw/zinc/63/00/66/372630066.db2.gz FMFIYEACABBTIO-DGCLKSJQSA-N 2 1 236.363 1.108 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837789 372630068 /nfs/dbraw/zinc/63/00/68/372630068.db2.gz FMFIYEACABBTIO-DGCLKSJQSA-N 3 1 236.363 1.108 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837789 372630073 /nfs/dbraw/zinc/63/00/73/372630073.db2.gz FMFIYEACABBTIO-DGCLKSJQSA-N 3 1 236.363 1.108 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838312 372630906 /nfs/dbraw/zinc/63/09/06/372630906.db2.gz LYDFKACVLZFKHR-CHWSQXEVSA-N 3 1 227.396 1.245 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838312 372630911 /nfs/dbraw/zinc/63/09/11/372630911.db2.gz LYDFKACVLZFKHR-CHWSQXEVSA-N 3 1 227.396 1.245 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000631840462 372635838 /nfs/dbraw/zinc/63/58/38/372635838.db2.gz SPYQNDBJQUSXSG-GHMZBOCLSA-N 2 1 205.305 1.108 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@H]([NH3+])C[C@H]1C ZINC000631860856 372661339 /nfs/dbraw/zinc/66/13/39/372661339.db2.gz QUDVHJQVZRECRW-ZYHUDNBSSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@H]1CCCCO1 ZINC000631863067 372665030 /nfs/dbraw/zinc/66/50/30/372665030.db2.gz XHDKUZWUXKMHQB-IJLUTSLNSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@H]1CCCCO1 ZINC000631863067 372665034 /nfs/dbraw/zinc/66/50/34/372665034.db2.gz XHDKUZWUXKMHQB-IJLUTSLNSA-N 2 1 212.337 1.367 20 0 BDADMP C([C@H]1CCOC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886535 372682310 /nfs/dbraw/zinc/68/23/10/372682310.db2.gz IKRNQHOMDJGIBE-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886535 372682318 /nfs/dbraw/zinc/68/23/18/372682318.db2.gz IKRNQHOMDJGIBE-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631890962 372685746 /nfs/dbraw/zinc/68/57/46/372685746.db2.gz WQSZCBMZYAXXFL-OCCSQVGLSA-N 2 1 231.343 1.656 20 0 BDADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631890962 372685753 /nfs/dbraw/zinc/68/57/53/372685753.db2.gz WQSZCBMZYAXXFL-OCCSQVGLSA-N 2 1 231.343 1.656 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)[C@H](C)C1 ZINC000305116940 170020877 /nfs/dbraw/zinc/02/08/77/170020877.db2.gz IFGHALHEVMYNLQ-SYQHCUMBSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cn[nH]c1 ZINC000424378658 206038320 /nfs/dbraw/zinc/03/83/20/206038320.db2.gz NZXGBTHTTJJBAO-WCBMZHEXSA-N 2 1 244.289 1.305 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(C)(C)COC)C1 ZINC000426418754 206047762 /nfs/dbraw/zinc/04/77/62/206047762.db2.gz YBECIZMCHGXEQT-ZDUSSCGKSA-N 2 1 242.407 1.933 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)COC)C1 ZINC000426418754 206047767 /nfs/dbraw/zinc/04/77/67/206047767.db2.gz YBECIZMCHGXEQT-ZDUSSCGKSA-N 2 1 242.407 1.933 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000426418754 206047770 /nfs/dbraw/zinc/04/77/70/206047770.db2.gz YBECIZMCHGXEQT-ZDUSSCGKSA-N 2 1 242.407 1.933 20 0 BDADMP CCc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)cc[nH+]1 ZINC000450449892 206102634 /nfs/dbraw/zinc/10/26/34/206102634.db2.gz FRHFIBPSMLRFRW-GFCCVEGCSA-N 2 1 249.358 1.147 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC1 ZINC000178520933 134308023 /nfs/dbraw/zinc/30/80/23/134308023.db2.gz DUBLSVVVXKUXEB-GFCCVEGCSA-N 2 1 240.391 1.611 20 0 BDADMP OCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413929 183050100 /nfs/dbraw/zinc/05/01/00/183050100.db2.gz ITQXSVLRZJEIJO-HZSPNIEDSA-N 2 1 238.375 1.175 20 0 BDADMP OCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413929 183050102 /nfs/dbraw/zinc/05/01/02/183050102.db2.gz ITQXSVLRZJEIJO-HZSPNIEDSA-N 2 1 238.375 1.175 20 0 BDADMP OCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413929 183050104 /nfs/dbraw/zinc/05/01/04/183050104.db2.gz ITQXSVLRZJEIJO-HZSPNIEDSA-N 2 1 238.375 1.175 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC000336707411 169079436 /nfs/dbraw/zinc/07/94/36/169079436.db2.gz ORXNESXIJPMFSR-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336707411 169079437 /nfs/dbraw/zinc/07/94/37/169079437.db2.gz ORXNESXIJPMFSR-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336707411 169079439 /nfs/dbraw/zinc/07/94/39/169079439.db2.gz ORXNESXIJPMFSR-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)C1([NH3+])CCCC1 ZINC000226407195 169120388 /nfs/dbraw/zinc/12/03/88/169120388.db2.gz RMXNEGSQFLATKH-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP CCC[N@@H+](CCC(=O)OC)C1CC[NH2+]CC1 ZINC000037469636 169139525 /nfs/dbraw/zinc/13/95/25/169139525.db2.gz OPQWIHZNZOULSD-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP CCCN(c1cc(C)[nH+]c(C)n1)[C@@H]1CC[NH2+]C1 ZINC000071332739 169182942 /nfs/dbraw/zinc/18/29/42/169182942.db2.gz MDIIZNSSQOXREF-GFCCVEGCSA-N 2 1 234.347 1.672 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000336495841 183327991 /nfs/dbraw/zinc/32/79/91/183327991.db2.gz NXTMTGNPGYLGME-OLZOCXBDSA-N 2 1 248.374 1.589 20 0 BDADMP CCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371934 169206923 /nfs/dbraw/zinc/20/69/23/169206923.db2.gz PRIWCRJLELUIOX-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP c1cc2c(c(C[NH2+][C@H]3CCC[NH2+]CC3)c1)OCO2 ZINC000129173612 183353253 /nfs/dbraw/zinc/35/32/53/183353253.db2.gz FRFKYFGGHGNLIC-LBPRGKRZSA-N 2 1 248.326 1.647 20 0 BDADMP c1[nH]nc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc12 ZINC000359469209 183374836 /nfs/dbraw/zinc/37/48/36/183374836.db2.gz ALHKQCQRZIEURY-BETUJISGSA-N 2 1 242.326 1.214 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)C(C)C ZINC000179308657 134320353 /nfs/dbraw/zinc/32/03/53/134320353.db2.gz OJLZTXYWRZZNNO-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)C(C)C ZINC000179308657 134320354 /nfs/dbraw/zinc/32/03/54/134320354.db2.gz OJLZTXYWRZZNNO-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000224572379 134348522 /nfs/dbraw/zinc/34/85/22/134348522.db2.gz FPEWAMCRTXOYQM-WDEREUQCSA-N 2 1 214.353 1.341 20 0 BDADMP CC[NH2+]CC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000053664382 535461383 /nfs/dbraw/zinc/46/13/83/535461383.db2.gz WYVCTWQLBWCZHV-UHFFFAOYSA-N 2 1 248.374 1.919 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227329754 134378035 /nfs/dbraw/zinc/37/80/35/134378035.db2.gz CQMAHPYKMZRXPP-UHFFFAOYSA-N 2 1 236.363 1.540 20 0 BDADMP O[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252733221 383821439 /nfs/dbraw/zinc/82/14/39/383821439.db2.gz YKQGSUPOBNAGAZ-XUXIUFHCSA-N 2 1 238.375 1.506 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000301010911 383842353 /nfs/dbraw/zinc/84/23/53/383842353.db2.gz XPLAAMRJRCCAAI-WDEREUQCSA-N 2 1 232.318 1.963 20 0 BDADMP COC1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCCC1 ZINC000336418487 383833445 /nfs/dbraw/zinc/83/34/45/383833445.db2.gz VBTQRSKJMFTFKS-BETUJISGSA-N 2 1 238.375 1.439 20 0 BDADMP COC1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCCC1 ZINC000336418487 383833451 /nfs/dbraw/zinc/83/34/51/383833451.db2.gz VBTQRSKJMFTFKS-BETUJISGSA-N 2 1 238.375 1.439 20 0 BDADMP COC1(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCCC1 ZINC000336418487 383833454 /nfs/dbraw/zinc/83/34/54/383833454.db2.gz VBTQRSKJMFTFKS-BETUJISGSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCOC1 ZINC000111164155 383932679 /nfs/dbraw/zinc/93/26/79/383932679.db2.gz ZQPJQWRGBPNXEP-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1ccsc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245292 383986635 /nfs/dbraw/zinc/98/66/35/383986635.db2.gz RVCCJDBXWCCRCM-JTQLQIEISA-N 2 1 210.346 1.837 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000569458663 384064863 /nfs/dbraw/zinc/06/48/63/384064863.db2.gz GQYARGMVSQQATI-RWMBFGLXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccn2C)CC[N@@H+]1C ZINC000090721111 384069734 /nfs/dbraw/zinc/06/97/34/384069734.db2.gz KIEVUBIJLPRYSG-VXGBXAGGSA-N 2 1 221.348 1.597 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccn2C)CC[N@H+]1C ZINC000090721111 384069740 /nfs/dbraw/zinc/06/97/40/384069740.db2.gz KIEVUBIJLPRYSG-VXGBXAGGSA-N 2 1 221.348 1.597 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CCc2ccncc2)CC[NH2+]1 ZINC000235365164 384172153 /nfs/dbraw/zinc/17/21/53/384172153.db2.gz HANPSVVASNAOPF-UKRRQHHQSA-N 2 1 247.386 1.944 20 0 BDADMP Cn1c2ccccc2[nH+]c1NCC1([NH3+])CCC1 ZINC000236098976 384179556 /nfs/dbraw/zinc/17/95/56/384179556.db2.gz GPAHHFGKEZOMBE-UHFFFAOYSA-N 2 1 230.315 1.867 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000520894010 384201205 /nfs/dbraw/zinc/20/12/05/384201205.db2.gz AZIZXNUGLDNIAC-YVECIDJPSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000520894010 384201208 /nfs/dbraw/zinc/20/12/08/384201208.db2.gz AZIZXNUGLDNIAC-YVECIDJPSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000520894010 384201212 /nfs/dbraw/zinc/20/12/12/384201212.db2.gz AZIZXNUGLDNIAC-YVECIDJPSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000520894010 384201214 /nfs/dbraw/zinc/20/12/14/384201214.db2.gz AZIZXNUGLDNIAC-YVECIDJPSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000235439732 384230525 /nfs/dbraw/zinc/23/05/25/384230525.db2.gz WXZNNDMTWRDGTB-ZDUSSCGKSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000235439732 384230528 /nfs/dbraw/zinc/23/05/28/384230528.db2.gz WXZNNDMTWRDGTB-ZDUSSCGKSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@H]([NH3+])C1CC[NH+](Cc2cscn2)CC1 ZINC000082474998 384230847 /nfs/dbraw/zinc/23/08/47/384230847.db2.gz MCDCSJPXCIAWDT-VIFPVBQESA-N 2 1 225.361 1.702 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCCCO)CC[N@@H+]1C ZINC000173528840 384228196 /nfs/dbraw/zinc/22/81/96/384228196.db2.gz SVJHTWCMDOBRNR-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCCCO)CC[N@H+]1C ZINC000173528840 384228204 /nfs/dbraw/zinc/22/82/04/384228204.db2.gz SVJHTWCMDOBRNR-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCCCCO)CC[NH+]1C ZINC000173528840 384228211 /nfs/dbraw/zinc/22/82/11/384228211.db2.gz SVJHTWCMDOBRNR-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCO)CC[NH+]1C ZINC000173528840 384228216 /nfs/dbraw/zinc/22/82/16/384228216.db2.gz SVJHTWCMDOBRNR-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CO1 ZINC000401908748 384252883 /nfs/dbraw/zinc/25/28/83/384252883.db2.gz VKNMIIGKXRZKHR-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C=Cn1cc(C[NH2+]CCn2cc[nH+]c2C)cn1 ZINC000278862758 384260928 /nfs/dbraw/zinc/26/09/28/384260928.db2.gz LYOMYCRAVNBHHN-UHFFFAOYSA-N 2 1 231.303 1.278 20 0 BDADMP COC[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000173792053 384261643 /nfs/dbraw/zinc/26/16/43/384261643.db2.gz VTMUJJHESIKAFA-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000173792053 384261650 /nfs/dbraw/zinc/26/16/50/384261650.db2.gz VTMUJJHESIKAFA-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173792053 384261656 /nfs/dbraw/zinc/26/16/56/384261656.db2.gz VTMUJJHESIKAFA-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccncc1C ZINC000228670735 384305127 /nfs/dbraw/zinc/30/51/27/384305127.db2.gz IGFMMKZCESDQDF-UHFFFAOYSA-N 2 1 230.315 1.685 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCCO1 ZINC000313357066 384279485 /nfs/dbraw/zinc/27/94/85/384279485.db2.gz SUVQLGVAMIOWQA-WDEREUQCSA-N 2 1 248.317 1.471 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CO1 ZINC000401929014 384296427 /nfs/dbraw/zinc/29/64/27/384296427.db2.gz UKEQGLKUWSKKOH-PWSUYJOCSA-N 2 1 210.321 1.015 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000095072285 384343324 /nfs/dbraw/zinc/34/33/24/384343324.db2.gz UHLNJSKGNKUQNR-VXGBXAGGSA-N 2 1 205.305 1.441 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000647509911 384348277 /nfs/dbraw/zinc/34/82/77/384348277.db2.gz TVEYVVMFEOAJAY-RYUDHWBXSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000647509911 384348282 /nfs/dbraw/zinc/34/82/82/384348282.db2.gz TVEYVVMFEOAJAY-RYUDHWBXSA-N 2 1 244.342 1.503 20 0 BDADMP C[NH+](C)CCNc1cc[nH+]cc1Br ZINC000159808059 384360651 /nfs/dbraw/zinc/36/06/51/384360651.db2.gz HLPDYWBOCYPOFZ-UHFFFAOYSA-N 2 1 244.136 1.818 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccnc1 ZINC000405534006 384412211 /nfs/dbraw/zinc/41/22/11/384412211.db2.gz ZDCLIWJWSZYHEQ-MNOVXSKESA-N 2 1 205.305 1.297 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000566416518 384412774 /nfs/dbraw/zinc/41/27/74/384412774.db2.gz MOIAQALPSUWGED-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)C[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568166942 384444298 /nfs/dbraw/zinc/44/42/98/384444298.db2.gz XTBUGXXXUZCXSA-GFCCVEGCSA-N 2 1 236.363 1.966 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cn[nH]c1 ZINC000305972629 384451428 /nfs/dbraw/zinc/45/14/28/384451428.db2.gz QCROLWFFRFJQQL-GHMZBOCLSA-N 2 1 234.347 1.545 20 0 BDADMP Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000229095211 384430765 /nfs/dbraw/zinc/43/07/65/384430765.db2.gz KZVZNVXTRVDULK-SKDRFNHKSA-N 2 1 234.347 1.515 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccnn1C ZINC000278904466 384461977 /nfs/dbraw/zinc/46/19/77/384461977.db2.gz ZRZGEPICRPNFIU-LLVKDONJSA-N 2 1 234.347 1.333 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335660323 384462663 /nfs/dbraw/zinc/46/26/63/384462663.db2.gz CRDMLIOEUPJRPY-PWSUYJOCSA-N 2 1 226.389 1.589 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCSC1 ZINC000224621336 384480421 /nfs/dbraw/zinc/48/04/21/384480421.db2.gz GRVPJQXRTHZVOF-VHSXEESVSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCSC1 ZINC000224621336 384480429 /nfs/dbraw/zinc/48/04/29/384480429.db2.gz GRVPJQXRTHZVOF-VHSXEESVSA-N 2 1 200.351 1.163 20 0 BDADMP CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175726766 384482741 /nfs/dbraw/zinc/48/27/41/384482741.db2.gz HNOYXUSXEGZNQP-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP Cc1cccc(CC[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000449243728 384500666 /nfs/dbraw/zinc/50/06/66/384500666.db2.gz MSWAFAAOINTQBK-OAHLLOKOSA-N 2 1 248.370 1.194 20 0 BDADMP Cc1cccc(CC[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000449243728 384500669 /nfs/dbraw/zinc/50/06/69/384500669.db2.gz MSWAFAAOINTQBK-OAHLLOKOSA-N 2 1 248.370 1.194 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000228408707 134415131 /nfs/dbraw/zinc/41/51/31/134415131.db2.gz WXLFRHATPXYJRI-UHFFFAOYSA-N 2 1 236.363 1.269 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000123272289 384546741 /nfs/dbraw/zinc/54/67/41/384546741.db2.gz QSMXXSKFLGZIMH-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCCO2)CC[N@H+]1C ZINC000123272289 384546754 /nfs/dbraw/zinc/54/67/54/384546754.db2.gz QSMXXSKFLGZIMH-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCCO2)CC[NH+]1C ZINC000123272289 384546760 /nfs/dbraw/zinc/54/67/60/384546760.db2.gz QSMXXSKFLGZIMH-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCCO2)CC[NH+]1C ZINC000123272289 384546768 /nfs/dbraw/zinc/54/67/68/384546768.db2.gz QSMXXSKFLGZIMH-MCIONIFRSA-N 2 1 240.391 1.970 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1C[NH3+] ZINC000405823512 384558857 /nfs/dbraw/zinc/55/88/57/384558857.db2.gz XGVUGEJIKVUETQ-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1C[NH3+] ZINC000405823512 384558867 /nfs/dbraw/zinc/55/88/67/384558867.db2.gz XGVUGEJIKVUETQ-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000643058177 384565856 /nfs/dbraw/zinc/56/58/56/384565856.db2.gz KIKJZCAZLHLRQB-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cn1 ZINC000647530957 384623281 /nfs/dbraw/zinc/62/32/81/384623281.db2.gz RFRBZKUJGRNBJJ-UHFFFAOYSA-N 2 1 219.332 1.703 20 0 BDADMP C[C@@H]1OCCN(CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC000162280753 384595841 /nfs/dbraw/zinc/59/58/41/384595841.db2.gz WIHUUFUBYFHVKD-AVGNSLFASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000397414506 384600474 /nfs/dbraw/zinc/60/04/74/384600474.db2.gz XJQGDTXUCRFUCH-YRGRVCCFSA-N 2 1 233.359 1.887 20 0 BDADMP CCCC[N@@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000309816914 384635577 /nfs/dbraw/zinc/63/55/77/384635577.db2.gz BLITVCKTMFPDTF-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534568 384646663 /nfs/dbraw/zinc/64/66/63/384646663.db2.gz QPXHWYJQJOATAR-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534568 384646669 /nfs/dbraw/zinc/64/66/69/384646669.db2.gz QPXHWYJQJOATAR-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP C[N@H+](CCc1cccs1)CC(C)(C)[NH3+] ZINC000086442362 384651132 /nfs/dbraw/zinc/65/11/32/384651132.db2.gz XHMYTIXGKIVEAV-UHFFFAOYSA-N 2 1 212.362 1.960 20 0 BDADMP C[N@@H+](CCc1cccs1)CC(C)(C)[NH3+] ZINC000086442362 384651136 /nfs/dbraw/zinc/65/11/36/384651136.db2.gz XHMYTIXGKIVEAV-UHFFFAOYSA-N 2 1 212.362 1.960 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309618121 384656493 /nfs/dbraw/zinc/65/64/93/384656493.db2.gz DKAAFKKSGSMBMQ-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000647538030 384662784 /nfs/dbraw/zinc/66/27/84/384662784.db2.gz CPZFYUYVPSNRSO-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP CCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)nc1 ZINC000647536626 384662859 /nfs/dbraw/zinc/66/28/59/384662859.db2.gz MQRNKCMAFUMDHF-CQSZACIVSA-N 2 1 249.358 1.651 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)nc1 ZINC000647536626 384662862 /nfs/dbraw/zinc/66/28/62/384662862.db2.gz MQRNKCMAFUMDHF-CQSZACIVSA-N 2 1 249.358 1.651 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000309678216 384724945 /nfs/dbraw/zinc/72/49/45/384724945.db2.gz YPUCIWLOOORXIU-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)[C@H](C)C[NH3+])c1 ZINC000125525467 384725583 /nfs/dbraw/zinc/72/55/83/384725583.db2.gz FZHJYZPRKUPWHB-SNVBAGLBSA-N 2 1 223.320 1.178 20 0 BDADMP CCOCC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316070291 384726959 /nfs/dbraw/zinc/72/69/59/384726959.db2.gz HKDTYJCXWCSXLI-SRVKXCTJSA-N 2 1 214.353 1.471 20 0 BDADMP CCOCC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316070291 384726966 /nfs/dbraw/zinc/72/69/66/384726966.db2.gz HKDTYJCXWCSXLI-SRVKXCTJSA-N 2 1 214.353 1.471 20 0 BDADMP c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000647544003 384714528 /nfs/dbraw/zinc/71/45/28/384714528.db2.gz VJQODPSQXJMBDM-QWHCGFSZSA-N 2 1 249.358 1.886 20 0 BDADMP c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000647544001 384714614 /nfs/dbraw/zinc/71/46/14/384714614.db2.gz VJQODPSQXJMBDM-CHWSQXEVSA-N 2 1 249.358 1.886 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000647547989 384749906 /nfs/dbraw/zinc/74/99/06/384749906.db2.gz QJUBRCGVHQUSTI-SYQHCUMBSA-N 3 1 239.407 1.339 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000647552120 384757728 /nfs/dbraw/zinc/75/77/28/384757728.db2.gz GRFMCPRHQLEITN-RJZJGCCBSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223563429 384759219 /nfs/dbraw/zinc/75/92/19/384759219.db2.gz QFLUMODUCVCOFD-MWLCHTKSSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223563429 384759226 /nfs/dbraw/zinc/75/92/26/384759226.db2.gz QFLUMODUCVCOFD-MWLCHTKSSA-N 2 1 238.306 1.700 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000565661568 384765641 /nfs/dbraw/zinc/76/56/41/384765641.db2.gz ULCAJRNTBBYWQY-CYBMUJFWSA-N 2 1 235.331 1.194 20 0 BDADMP C[N@@H+](CCCCCF)CCOCC[NH3+] ZINC000308503154 384768693 /nfs/dbraw/zinc/76/86/93/384768693.db2.gz XRALJGAOECPIRX-UHFFFAOYSA-N 2 1 206.305 1.033 20 0 BDADMP C[N@@H+](CCCCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375752333 384818863 /nfs/dbraw/zinc/81/88/63/384818863.db2.gz CQQBQCWWJSQKLF-PBWFPOADSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CCCCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375752333 384818870 /nfs/dbraw/zinc/81/88/70/384818870.db2.gz CQQBQCWWJSQKLF-PBWFPOADSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CCCCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375752333 384818876 /nfs/dbraw/zinc/81/88/76/384818876.db2.gz CQQBQCWWJSQKLF-PBWFPOADSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@@H]1CCCO1 ZINC000126914987 384828647 /nfs/dbraw/zinc/82/86/47/384828647.db2.gz BXRHWIHVIRVCFW-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423358832 384831179 /nfs/dbraw/zinc/83/11/79/384831179.db2.gz CENPAJAVCWZBCI-QJPTWQEYSA-N 2 1 234.347 1.706 20 0 BDADMP C[C@H](C[NH3+])N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398184697 384835587 /nfs/dbraw/zinc/83/55/87/384835587.db2.gz ILEDWMWURYAKEZ-NFAWXSAZSA-N 2 1 247.386 1.586 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163398212 384804081 /nfs/dbraw/zinc/80/40/81/384804081.db2.gz MENFRLXNJHVESE-JOYOIKCWSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163398212 384804085 /nfs/dbraw/zinc/80/40/85/384804085.db2.gz MENFRLXNJHVESE-JOYOIKCWSA-N 2 1 237.347 1.708 20 0 BDADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC1 ZINC000644550642 384949683 /nfs/dbraw/zinc/94/96/83/384949683.db2.gz ZKYUQQBWCFVZMV-HNNXBMFYSA-N 2 1 248.370 1.621 20 0 BDADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC1 ZINC000644550642 384949693 /nfs/dbraw/zinc/94/96/93/384949693.db2.gz ZKYUQQBWCFVZMV-HNNXBMFYSA-N 2 1 248.370 1.621 20 0 BDADMP CC(C)c1[nH+]ccn1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310258709 384930336 /nfs/dbraw/zinc/93/03/36/384930336.db2.gz HHAJCCZYIFVYHL-GFCCVEGCSA-N 2 1 237.347 1.462 20 0 BDADMP CC(C)c1[nH+]ccn1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310258709 384930337 /nfs/dbraw/zinc/93/03/37/384930337.db2.gz HHAJCCZYIFVYHL-GFCCVEGCSA-N 2 1 237.347 1.462 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000162173923 384943405 /nfs/dbraw/zinc/94/34/05/384943405.db2.gz RPXNLRUFPYNCMS-MRVWCRGKSA-N 2 1 242.407 1.856 20 0 BDADMP c1cncc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127951795 384966782 /nfs/dbraw/zinc/96/67/82/384966782.db2.gz NNGFNXBMGMWBOO-HUUCEWRRSA-N 2 1 245.370 1.841 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)CC[N@H+]1C ZINC000310332226 384986672 /nfs/dbraw/zinc/98/66/72/384986672.db2.gz ZAFYAAJESYRAEK-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000359215964 385064042 /nfs/dbraw/zinc/06/40/42/385064042.db2.gz KQVSYVYBIIAERY-CYBMUJFWSA-N 3 1 225.380 1.093 20 0 BDADMP OCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157092160 385067615 /nfs/dbraw/zinc/06/76/15/385067615.db2.gz XRBGYKTXGKZIGZ-CYBMUJFWSA-N 2 1 226.364 1.319 20 0 BDADMP Cc1cc[nH+]c(N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000226955467 385075245 /nfs/dbraw/zinc/07/52/45/385075245.db2.gz IKRMBQCIRNLIFC-NWDGAFQWSA-N 2 1 219.332 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000156327219 385031383 /nfs/dbraw/zinc/03/13/83/385031383.db2.gz QKULVUDYRQDTFB-XQHKEYJVSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000156327219 385031390 /nfs/dbraw/zinc/03/13/90/385031390.db2.gz QKULVUDYRQDTFB-XQHKEYJVSA-N 2 1 226.364 1.362 20 0 BDADMP COC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164708386 385031875 /nfs/dbraw/zinc/03/18/75/385031875.db2.gz AUBJWSMJCAQLFR-LLVKDONJSA-N 2 1 225.336 1.596 20 0 BDADMP CCOC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119708661 385140289 /nfs/dbraw/zinc/14/02/89/385140289.db2.gz JPGRGKVTXDJNGK-LLVKDONJSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000310498657 385091404 /nfs/dbraw/zinc/09/14/04/385091404.db2.gz LGYQFLLEJMCYGN-SMDDNHRTSA-N 2 1 238.375 1.770 20 0 BDADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000310539229 385107480 /nfs/dbraw/zinc/10/74/80/385107480.db2.gz BQQDKHNOUITWAW-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308813283 385182259 /nfs/dbraw/zinc/18/22/59/385182259.db2.gz AIOOFLIMYWNIEI-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000336366156 385184532 /nfs/dbraw/zinc/18/45/32/385184532.db2.gz XFDJQPNKKAWZCX-CQSZACIVSA-N 3 1 237.391 1.062 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC23CC3)[C@H](C)C1 ZINC000424320053 385160194 /nfs/dbraw/zinc/16/01/94/385160194.db2.gz IPTCDMJSBDZZMZ-WOPDTQHZSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000252711420 385207854 /nfs/dbraw/zinc/20/78/54/385207854.db2.gz JLDSDNGIJQPGTL-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C([C@H]1CCSC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482658 385212049 /nfs/dbraw/zinc/21/20/49/385212049.db2.gz WMDHWVPFABQADT-LLVKDONJSA-N 2 1 240.416 1.956 20 0 BDADMP C[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000063218066 385217398 /nfs/dbraw/zinc/21/73/98/385217398.db2.gz XIZJCVZDVFPTBT-HNNXBMFYSA-N 2 1 248.370 1.274 20 0 BDADMP CCOC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000044688309 385217762 /nfs/dbraw/zinc/21/77/62/385217762.db2.gz RCFQONRMPOBULW-JTQLQIEISA-N 2 1 200.326 1.095 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000308895347 385247787 /nfs/dbraw/zinc/24/77/87/385247787.db2.gz ZDVMPJJSKLUHLC-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000308895347 385247790 /nfs/dbraw/zinc/24/77/90/385247790.db2.gz ZDVMPJJSKLUHLC-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP COC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000167307808 385309054 /nfs/dbraw/zinc/30/90/54/385309054.db2.gz GCDDMOIVLUJPSD-MNOVXSKESA-N 2 1 225.336 1.452 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228149322 385348419 /nfs/dbraw/zinc/34/84/19/385348419.db2.gz HAZAJAFZTPCXKB-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228204405 385363492 /nfs/dbraw/zinc/36/34/92/385363492.db2.gz QOFSTNNYOOKLDP-GZMMTYOYSA-N 2 1 223.320 1.461 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647496549 385390454 /nfs/dbraw/zinc/39/04/54/385390454.db2.gz SXPLKBWGRFSJQX-PWSUYJOCSA-N 2 1 234.347 1.053 20 0 BDADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000180194325 385385248 /nfs/dbraw/zinc/38/52/48/385385248.db2.gz DENKZZUOTMJVRW-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H](C[N@@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000224188338 385325076 /nfs/dbraw/zinc/32/50/76/385325076.db2.gz UJVBWLZXYOCYMM-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H](C[N@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000224188338 385325081 /nfs/dbraw/zinc/32/50/81/385325081.db2.gz UJVBWLZXYOCYMM-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000224188338 385325087 /nfs/dbraw/zinc/32/50/87/385325087.db2.gz UJVBWLZXYOCYMM-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000224188338 385325092 /nfs/dbraw/zinc/32/50/92/385325092.db2.gz UJVBWLZXYOCYMM-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CCCN1CCCC1 ZINC000308972973 385327622 /nfs/dbraw/zinc/32/76/22/385327622.db2.gz AXMUBTPBZGYXQV-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000016083141 385393816 /nfs/dbraw/zinc/39/38/16/385393816.db2.gz UJUSOZQAQXUINK-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000016083141 385393818 /nfs/dbraw/zinc/39/38/18/385393818.db2.gz UJUSOZQAQXUINK-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000193347620 385395323 /nfs/dbraw/zinc/39/53/23/385395323.db2.gz SIMYRJWHLYJWDL-GFCCVEGCSA-N 2 1 234.347 1.047 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000193347620 385395328 /nfs/dbraw/zinc/39/53/28/385395328.db2.gz SIMYRJWHLYJWDL-GFCCVEGCSA-N 2 1 234.347 1.047 20 0 BDADMP CC[C@@H]1C[N@@H+](CC(C)(C)COC)CC[C@@H]1[NH3+] ZINC000647497866 385408618 /nfs/dbraw/zinc/40/86/18/385408618.db2.gz YLSMGJYOPYQVMY-NEPJUHHUSA-N 2 1 228.380 1.718 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000156176869 385439766 /nfs/dbraw/zinc/43/97/66/385439766.db2.gz AAPWCFGKKRMBMA-HNNXBMFYSA-N 2 1 248.370 1.562 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC000182215690 385433912 /nfs/dbraw/zinc/43/39/12/385433912.db2.gz SHSOXAKXSQBCLE-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC000182215690 385433915 /nfs/dbraw/zinc/43/39/15/385433915.db2.gz SHSOXAKXSQBCLE-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC000182215690 385433919 /nfs/dbraw/zinc/43/39/19/385433919.db2.gz SHSOXAKXSQBCLE-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CC(C)CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000336720473 385468300 /nfs/dbraw/zinc/46/83/00/385468300.db2.gz WQXLTGUSDYCLIH-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@H](O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309222260 385488170 /nfs/dbraw/zinc/48/81/70/385488170.db2.gz GXINGQPPAZYKCW-ZDUSSCGKSA-N 2 1 226.364 1.364 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257705475 385490698 /nfs/dbraw/zinc/49/06/98/385490698.db2.gz RCVVBISYTBQCNZ-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257745235 385497065 /nfs/dbraw/zinc/49/70/65/385497065.db2.gz ZOBYPZWTSWLLOR-ZIAGYGMSSA-N 2 1 238.375 1.631 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000309339912 385540421 /nfs/dbraw/zinc/54/04/21/385540421.db2.gz JYPWLBHPMUXMSW-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000309339912 385540426 /nfs/dbraw/zinc/54/04/26/385540426.db2.gz JYPWLBHPMUXMSW-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H](CCC[NH3+])Nc1nc(N2CCCC2)cc[nH+]1 ZINC000643045274 385549071 /nfs/dbraw/zinc/54/90/71/385549071.db2.gz CMZTWTXTTSBRHJ-NSHDSACASA-N 2 1 249.362 1.616 20 0 BDADMP C[NH+](C)[C@@H](C(=O)NCCCC[NH3+])c1ccccc1 ZINC000181042392 385560876 /nfs/dbraw/zinc/56/08/76/385560876.db2.gz CKKCFYMNICZEMK-CYBMUJFWSA-N 2 1 249.358 1.144 20 0 BDADMP C[C@@H](O)CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000309409198 385572729 /nfs/dbraw/zinc/57/27/29/385572729.db2.gz WJTIXTVFACKOHE-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000309409198 385572731 /nfs/dbraw/zinc/57/27/31/385572731.db2.gz WJTIXTVFACKOHE-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000336677007 385606815 /nfs/dbraw/zinc/60/68/15/385606815.db2.gz BICKYZBRCVMHID-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NC[C@@H](C)C[NH3+])c2c1C ZINC000647705643 385580292 /nfs/dbraw/zinc/58/02/92/385580292.db2.gz FOFOCCSBXUEURY-ZETCQYMHSA-N 2 1 233.319 1.581 20 0 BDADMP Cc1nocc1C[NH2+]CCn1cc[nH+]c1C ZINC000293509732 385624832 /nfs/dbraw/zinc/62/48/32/385624832.db2.gz HYUKSWCTBHCFQH-UHFFFAOYSA-N 2 1 220.276 1.278 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CCN(C)C ZINC000336680177 385629460 /nfs/dbraw/zinc/62/94/60/385629460.db2.gz GJKPQUHDWUSXSH-MNOVXSKESA-N 2 1 201.358 1.044 20 0 BDADMP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000337376815 385629608 /nfs/dbraw/zinc/62/96/08/385629608.db2.gz AYBNCHMIRKFRME-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP c1c2cccnc2oc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000648385192 385744781 /nfs/dbraw/zinc/74/47/81/385744781.db2.gz JKTVLDWTHGVHJE-RYUDHWBXSA-N 2 1 243.310 1.479 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000309626344 385753894 /nfs/dbraw/zinc/75/38/94/385753894.db2.gz GOPSJNAPYYUDTH-AGIUHOORSA-N 2 1 228.380 1.874 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC000414856989 385727220 /nfs/dbraw/zinc/72/72/20/385727220.db2.gz ZYOZQNKFDDVCKM-JSGCOSHPSA-N 2 1 240.391 1.910 20 0 BDADMP CCCn1cc(C[NH2+]C2(C)CC[NH2+]CC2)cn1 ZINC000414946642 385809636 /nfs/dbraw/zinc/80/96/36/385809636.db2.gz UNIVNFTZAHBDDJ-UHFFFAOYSA-N 2 1 236.363 1.525 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000521426621 385814230 /nfs/dbraw/zinc/81/42/30/385814230.db2.gz JOMMKFXASQDQEJ-RDBSUJKOSA-N 2 1 242.407 1.856 20 0 BDADMP CCCN1CCN(c2nc(C)nc(C)c2C)CC1 ZINC000337914435 385824713 /nfs/dbraw/zinc/82/47/13/385824713.db2.gz MXHJVGFEHUQDJR-UHFFFAOYSA-N 2 1 248.374 1.934 20 0 BDADMP CC[N@@H+](C[C@@H](O)CN(C)C1CC1)CC(C)(C)C ZINC000336725452 385844524 /nfs/dbraw/zinc/84/45/24/385844524.db2.gz VCSZBLREVKEUBK-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)CC(C)(C)C ZINC000336725452 385844528 /nfs/dbraw/zinc/84/45/28/385844528.db2.gz VCSZBLREVKEUBK-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)CC(C)(C)C ZINC000336725452 385844532 /nfs/dbraw/zinc/84/45/32/385844532.db2.gz VCSZBLREVKEUBK-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000336725452 385844535 /nfs/dbraw/zinc/84/45/35/385844535.db2.gz VCSZBLREVKEUBK-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000336725452 385844541 /nfs/dbraw/zinc/84/45/41/385844541.db2.gz VCSZBLREVKEUBK-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CCN(C)c1ccc(C[NH2+]CC2([NH3+])CCC2)cn1 ZINC000414871578 385854044 /nfs/dbraw/zinc/85/40/44/385854044.db2.gz DHLBGEHEJVIJAD-UHFFFAOYSA-N 2 1 248.374 1.509 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035027 385922954 /nfs/dbraw/zinc/92/29/54/385922954.db2.gz RUKDZSVCYSNGJO-UONOGXRCSA-N 2 1 232.327 1.686 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000414966849 385925474 /nfs/dbraw/zinc/92/54/74/385925474.db2.gz APVSOZJKQBNTSG-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000414966847 385925487 /nfs/dbraw/zinc/92/54/87/385925487.db2.gz APVSOZJKQBNTSG-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414878007 385927315 /nfs/dbraw/zinc/92/73/15/385927315.db2.gz YVEHNUSSLFLYGA-XQQFMLRXSA-N 2 1 238.375 1.533 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000414871759 385860241 /nfs/dbraw/zinc/86/02/41/385860241.db2.gz OLAWCXQWWRGZAF-CHWSQXEVSA-N 2 1 227.396 1.306 20 0 BDADMP FC(F)COCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815076 385869426 /nfs/dbraw/zinc/86/94/26/385869426.db2.gz OCGBEMAKXDNAEJ-UHFFFAOYSA-N 2 1 248.317 1.485 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000272045249 385871915 /nfs/dbraw/zinc/87/19/15/385871915.db2.gz YQUSXBRDNIIRCY-LBPRGKRZSA-N 2 1 248.370 1.924 20 0 BDADMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414873892 385879226 /nfs/dbraw/zinc/87/92/26/385879226.db2.gz AEFCJKCCXCXZSS-UHFFFAOYSA-N 2 1 220.316 1.666 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1O ZINC000189244773 385976510 /nfs/dbraw/zinc/97/65/10/385976510.db2.gz BNUSZNCXPSGADQ-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000414132307 385979467 /nfs/dbraw/zinc/97/94/67/385979467.db2.gz AIXIVWYSMPLIMJ-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000414132307 385979472 /nfs/dbraw/zinc/97/94/72/385979472.db2.gz AIXIVWYSMPLIMJ-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000414972650 385986490 /nfs/dbraw/zinc/98/64/90/385986490.db2.gz BDZWFGSZWAVLBF-NSHDSACASA-N 2 1 236.315 1.285 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000342111825 385930643 /nfs/dbraw/zinc/93/06/43/385930643.db2.gz ULFYBGVJJHNSRA-TUAOUCFPSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000342111825 385930649 /nfs/dbraw/zinc/93/06/49/385930649.db2.gz ULFYBGVJJHNSRA-TUAOUCFPSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccoc1 ZINC000335046078 385940934 /nfs/dbraw/zinc/94/09/34/385940934.db2.gz ZLVBXAYNKZGRLC-CMPLNLGQSA-N 2 1 208.305 1.757 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000342192676 385941363 /nfs/dbraw/zinc/94/13/63/385941363.db2.gz BKWWDGWLIRDVDB-VHSXEESVSA-N 2 1 241.285 1.891 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000335051114 385948549 /nfs/dbraw/zinc/94/85/49/385948549.db2.gz CIDSARGOZCQORW-LLVKDONJSA-N 2 1 234.347 1.269 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000338304736 385951563 /nfs/dbraw/zinc/95/15/63/385951563.db2.gz HKSZJMHPXDWCAF-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251469830 385954548 /nfs/dbraw/zinc/95/45/48/385954548.db2.gz DMQJQCHNVTZWIZ-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C[C@@H](C)O)C(C)C ZINC000338308814 385956468 /nfs/dbraw/zinc/95/64/68/385956468.db2.gz SREQKTCPVIMDFN-CYBMUJFWSA-N 2 1 230.396 1.810 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000414149457 385997833 /nfs/dbraw/zinc/99/78/33/385997833.db2.gz STZOVMYDTRUBQX-YIYPIFLZSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000414149457 385997837 /nfs/dbraw/zinc/99/78/37/385997837.db2.gz STZOVMYDTRUBQX-YIYPIFLZSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000414154717 386003217 /nfs/dbraw/zinc/00/32/17/386003217.db2.gz UCGPPOQGUKPOSP-NZEXEKPDSA-N 2 1 226.364 1.218 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CC1(C)C ZINC000336750365 386003592 /nfs/dbraw/zinc/00/35/92/386003592.db2.gz USMJNFBUNCOJDG-GMXVVIOVSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000336750365 386003596 /nfs/dbraw/zinc/00/35/96/386003596.db2.gz USMJNFBUNCOJDG-GMXVVIOVSA-N 2 1 226.364 1.077 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000336751314 386008853 /nfs/dbraw/zinc/00/88/53/386008853.db2.gz CVJOXZYQBFCIFF-OPRDCNLKSA-N 2 1 223.320 1.280 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000414188413 386028510 /nfs/dbraw/zinc/02/85/10/386028510.db2.gz QFLTYORVAOBDQN-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP COCC[C@@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414202716 386041181 /nfs/dbraw/zinc/04/11/81/386041181.db2.gz DIZRQGACYBXHPD-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000414978266 386041277 /nfs/dbraw/zinc/04/12/77/386041277.db2.gz RKFPWJMAMNAQBX-RDBSUJKOSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cn[nH]c1 ZINC000222492102 386049947 /nfs/dbraw/zinc/04/99/47/386049947.db2.gz LTUDHXYSILRXHQ-JBLDHEPKSA-N 2 1 222.336 1.543 20 0 BDADMP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000414239384 386053108 /nfs/dbraw/zinc/05/31/08/386053108.db2.gz YODYYBFKIVKJSD-RISCZKNCSA-N 2 1 240.391 1.874 20 0 BDADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414888720 386104923 /nfs/dbraw/zinc/10/49/23/386104923.db2.gz SKLDKPPYPODLKP-TZMCWYRMSA-N 2 1 248.370 1.968 20 0 BDADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cn1 ZINC000414301847 386108187 /nfs/dbraw/zinc/10/81/87/386108187.db2.gz BXUYTOYUISPUQQ-LBPRGKRZSA-N 2 1 248.374 1.470 20 0 BDADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cn1 ZINC000414301847 386108191 /nfs/dbraw/zinc/10/81/91/386108191.db2.gz BXUYTOYUISPUQQ-LBPRGKRZSA-N 2 1 248.374 1.470 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000414665787 386118070 /nfs/dbraw/zinc/11/80/70/386118070.db2.gz FSXVTXWWVQQYBO-DGCLKSJQSA-N 3 1 227.396 1.419 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)C2CCCC2)CC[NH2+]1 ZINC000414667169 386120645 /nfs/dbraw/zinc/12/06/45/386120645.db2.gz HAUDWLLSKQLXGV-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336753530 386063082 /nfs/dbraw/zinc/06/30/82/386063082.db2.gz GXPPLVZSPYUQFS-GHMZBOCLSA-N 2 1 212.337 1.261 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648771 386064746 /nfs/dbraw/zinc/06/47/46/386064746.db2.gz BKOGQHNLHCOEAR-RQJABVFESA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648771 386064751 /nfs/dbraw/zinc/06/47/51/386064751.db2.gz BKOGQHNLHCOEAR-RQJABVFESA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2CN)CC[NH2+]1 ZINC000414652793 386075157 /nfs/dbraw/zinc/07/51/57/386075157.db2.gz HJAXMIIVHYEHSB-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H](CN2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000414652793 386075169 /nfs/dbraw/zinc/07/51/69/386075169.db2.gz HJAXMIIVHYEHSB-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP CO[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)C1CC1 ZINC000425443005 386076678 /nfs/dbraw/zinc/07/66/78/386076678.db2.gz LAJGGJXFJYFOOF-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000365407309 386079876 /nfs/dbraw/zinc/07/98/76/386079876.db2.gz ZOPBMJUBVNKQCW-GFCCVEGCSA-N 2 1 242.363 1.166 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)C(C)C ZINC000414285300 386096936 /nfs/dbraw/zinc/09/69/36/386096936.db2.gz BDSWIEPRSNDXDI-STQMWFEESA-N 2 1 228.380 1.466 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC(C)(C)O ZINC000274737833 386145250 /nfs/dbraw/zinc/14/52/50/386145250.db2.gz JHPHHKRWPPEIDT-UHFFFAOYSA-N 2 1 237.347 1.398 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000414676378 386150819 /nfs/dbraw/zinc/15/08/19/386150819.db2.gz NEZXYDIWUDHEQX-STQMWFEESA-N 2 1 240.391 1.861 20 0 BDADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)on1 ZINC000335280506 386153806 /nfs/dbraw/zinc/15/38/06/386153806.db2.gz UAPSTIMSMWDNHX-LBPRGKRZSA-N 2 1 249.358 1.947 20 0 BDADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000336722406 386160000 /nfs/dbraw/zinc/16/00/00/386160000.db2.gz YDXBKOOYNVMJAI-STQMWFEESA-N 2 1 237.347 1.596 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414692610 386183705 /nfs/dbraw/zinc/18/37/05/386183705.db2.gz CUVDJJIYGQDXOP-FQUUOJAGSA-N 2 1 240.391 1.610 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414890418 386126115 /nfs/dbraw/zinc/12/61/15/386126115.db2.gz HHOFCHJDBKVKGO-AWEZNQCLSA-N 2 1 247.342 1.472 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC000414700960 386201873 /nfs/dbraw/zinc/20/18/73/386201873.db2.gz KJOHRLCGKPNLHE-DYEKYZERSA-N 2 1 238.375 1.485 20 0 BDADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC[NH3+])C1(C)C ZINC000414697223 386202625 /nfs/dbraw/zinc/20/26/25/386202625.db2.gz IGYCNKWIUHCCRJ-QWRGUYRKSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC000414702668 386210345 /nfs/dbraw/zinc/21/03/45/386210345.db2.gz JASBLHQZABFZLO-MGPQQGTHSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@@H](CCO)c1ccccc1 ZINC000414703692 386213301 /nfs/dbraw/zinc/21/33/01/386213301.db2.gz MPVJUGPCYDQBBW-ZDUSSCGKSA-N 2 1 222.332 1.391 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707108 386216565 /nfs/dbraw/zinc/21/65/65/386216565.db2.gz NLBBKVJQJJBVPA-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCn2ccnc2)c2ccccc21 ZINC000132045632 386220445 /nfs/dbraw/zinc/22/04/45/386220445.db2.gz RXJQXGXXNHKQFH-ZIAGYGMSSA-N 2 1 242.326 1.618 20 0 BDADMP CCOC(=O)C[C@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414710580 386225043 /nfs/dbraw/zinc/22/50/43/386225043.db2.gz LMWSZZZLTUHKBL-RYUDHWBXSA-N 2 1 244.379 1.633 20 0 BDADMP CCOC(=O)C[C@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414710580 386225045 /nfs/dbraw/zinc/22/50/45/386225045.db2.gz LMWSZZZLTUHKBL-RYUDHWBXSA-N 2 1 244.379 1.633 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414709764 386225170 /nfs/dbraw/zinc/22/51/70/386225170.db2.gz RSYWBFLFOLDZAF-UTUOFQBUSA-N 2 1 242.363 1.115 20 0 BDADMP Cc1cc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)no1 ZINC000414711408 386226518 /nfs/dbraw/zinc/22/65/18/386226518.db2.gz TXIUTFMCFIACMO-PWSUYJOCSA-N 2 1 237.347 1.803 20 0 BDADMP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)no1 ZINC000414711410 386227208 /nfs/dbraw/zinc/22/72/08/386227208.db2.gz TXIUTFMCFIACMO-ZYHUDNBSSA-N 2 1 237.347 1.803 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000414712230 386229100 /nfs/dbraw/zinc/22/91/00/386229100.db2.gz NLWURXDSBDBKEV-KGLIPLIRSA-N 2 1 241.423 1.632 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@@H]1CCCN(c2ccccc2)C1 ZINC000414714493 386232753 /nfs/dbraw/zinc/23/27/53/386232753.db2.gz VTTFUQHIAZINMQ-OAHLLOKOSA-N 2 1 247.386 1.936 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000347084838 386241411 /nfs/dbraw/zinc/24/14/11/386241411.db2.gz CIOOPEKCAFZMLK-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000347084838 386241416 /nfs/dbraw/zinc/24/14/16/386241416.db2.gz CIOOPEKCAFZMLK-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000347084861 386242618 /nfs/dbraw/zinc/24/26/18/386242618.db2.gz CIOOPEKCAFZMLK-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000347084861 386242622 /nfs/dbraw/zinc/24/26/22/386242622.db2.gz CIOOPEKCAFZMLK-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000347090446 386245220 /nfs/dbraw/zinc/24/52/20/386245220.db2.gz GDPOHYPWFPONON-LLVKDONJSA-N 2 1 222.336 1.068 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000347090446 386245223 /nfs/dbraw/zinc/24/52/23/386245223.db2.gz GDPOHYPWFPONON-LLVKDONJSA-N 2 1 222.336 1.068 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000336645579 386250742 /nfs/dbraw/zinc/25/07/42/386250742.db2.gz IEBHWVHKIMWCST-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H](C)O)C1 ZINC000336645522 386251271 /nfs/dbraw/zinc/25/12/71/386251271.db2.gz IBWQEJSMLWCNPN-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336645522 386251277 /nfs/dbraw/zinc/25/12/77/386251277.db2.gz IBWQEJSMLWCNPN-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336645522 386251283 /nfs/dbraw/zinc/25/12/83/386251283.db2.gz IBWQEJSMLWCNPN-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP COC1(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)CCC1 ZINC000338998425 386198371 /nfs/dbraw/zinc/19/83/71/386198371.db2.gz TYACODFWRXBHCN-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CC[N@@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414696872 386199195 /nfs/dbraw/zinc/19/91/95/386199195.db2.gz QPOIWGSYNLEKBI-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC000414729352 386281874 /nfs/dbraw/zinc/28/18/74/386281874.db2.gz DXVZOFREDYAVAZ-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C)(CN)C2)CC[NH2+]1 ZINC000414729352 386281882 /nfs/dbraw/zinc/28/18/82/386281882.db2.gz DXVZOFREDYAVAZ-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)(CN)C2)CC[NH2+]1 ZINC000414729352 386281889 /nfs/dbraw/zinc/28/18/89/386281889.db2.gz DXVZOFREDYAVAZ-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+]CCC[N@H+](Cc1ccccc1)CC1(C[NH3+])CC1 ZINC000414730479 386283990 /nfs/dbraw/zinc/28/39/90/386283990.db2.gz GMDWKRHUUJGGFU-UHFFFAOYSA-N 3 1 247.386 1.576 20 0 BDADMP [NH3+]CCC[N@@H+](Cc1ccccc1)CC1(C[NH3+])CC1 ZINC000414730479 386283997 /nfs/dbraw/zinc/28/39/97/386283997.db2.gz GMDWKRHUUJGGFU-UHFFFAOYSA-N 3 1 247.386 1.576 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CC[NH2+]C2)C(C)(C)CO1 ZINC000647885926 386291910 /nfs/dbraw/zinc/29/19/10/386291910.db2.gz MQVJZFWCUUBHQM-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CC[NH2+]C2)C(C)(C)CO1 ZINC000647885925 386292516 /nfs/dbraw/zinc/29/25/16/386292516.db2.gz MQVJZFWCUUBHQM-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)O)C1 ZINC000347297080 386300327 /nfs/dbraw/zinc/30/03/27/386300327.db2.gz GFFBBUPYGARZTA-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414736993 386305162 /nfs/dbraw/zinc/30/51/62/386305162.db2.gz ICWVVJNBWRWYQD-HZSPNIEDSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000414735256 386310279 /nfs/dbraw/zinc/31/02/79/386310279.db2.gz GRFNKPJVHUFEME-STQMWFEESA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335260939 386318985 /nfs/dbraw/zinc/31/89/85/386318985.db2.gz XXCLQTUVRWPKQV-LBPRGKRZSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2NCC3)CC[NH2+]1 ZINC000335261599 386320415 /nfs/dbraw/zinc/32/04/15/386320415.db2.gz ONCPSNVRNDMIEB-SMDDNHRTSA-N 2 1 245.370 1.885 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH2+]C(C)(C)C ZINC000414739146 386321574 /nfs/dbraw/zinc/32/15/74/386321574.db2.gz JYBMTERMIWWGRV-RYUDHWBXSA-N 2 1 227.396 1.399 20 0 BDADMP Fc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000647988862 386322449 /nfs/dbraw/zinc/32/24/49/386322449.db2.gz ZZIOGDNUCLZQDY-LLVKDONJSA-N 2 1 234.318 1.793 20 0 BDADMP Fc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000647988862 386322455 /nfs/dbraw/zinc/32/24/55/386322455.db2.gz ZZIOGDNUCLZQDY-LLVKDONJSA-N 2 1 234.318 1.793 20 0 BDADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000647884432 386263515 /nfs/dbraw/zinc/26/35/15/386263515.db2.gz PQXVNODSLGJZMR-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000226325706 386265496 /nfs/dbraw/zinc/26/54/96/386265496.db2.gz LPMHYAOMHCBUHK-GFCCVEGCSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000647987572 386276277 /nfs/dbraw/zinc/27/62/77/386276277.db2.gz DMZVFFKTKQWHJH-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000647987572 386276283 /nfs/dbraw/zinc/27/62/83/386276283.db2.gz DMZVFFKTKQWHJH-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000336682273 386341211 /nfs/dbraw/zinc/34/12/11/386341211.db2.gz JIZAJPNDZDJXSE-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@@H](C)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000336682273 386341217 /nfs/dbraw/zinc/34/12/17/386341217.db2.gz JIZAJPNDZDJXSE-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@@H](C)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000336682273 386341227 /nfs/dbraw/zinc/34/12/27/386341227.db2.gz JIZAJPNDZDJXSE-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP Cc1ccn2c(C[NH2+]C3CC[NH2+]CC3)cnc2c1 ZINC000335277808 386342856 /nfs/dbraw/zinc/34/28/56/386342856.db2.gz KMBNMKGXOGWCSO-UHFFFAOYSA-N 2 1 244.342 1.484 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC(C)(C)C2)CC[NH2+]1 ZINC000335270734 386355607 /nfs/dbraw/zinc/35/56/07/386355607.db2.gz RSSOVJCAQMEFSO-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@@H](CN2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC000335270734 386355612 /nfs/dbraw/zinc/35/56/12/386355612.db2.gz RSSOVJCAQMEFSO-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000336692034 386361952 /nfs/dbraw/zinc/36/19/52/386361952.db2.gz MXZYOPIQUBNZFW-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000347379748 386374400 /nfs/dbraw/zinc/37/44/00/386374400.db2.gz WLBUGWBKHQDSMX-DCBWTQNWSA-N 2 1 238.375 1.770 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000347379748 386374404 /nfs/dbraw/zinc/37/44/04/386374404.db2.gz WLBUGWBKHQDSMX-DCBWTQNWSA-N 2 1 238.375 1.770 20 0 BDADMP CC[N@@H+](CCC[NH+]1CCCCC1)CCOC ZINC000347383993 386376936 /nfs/dbraw/zinc/37/69/36/386376936.db2.gz VYIFNDJUNPISDX-UHFFFAOYSA-N 2 1 228.380 1.831 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000414906815 386382427 /nfs/dbraw/zinc/38/24/27/386382427.db2.gz AJOUDCROCBDLFR-IJLUTSLNSA-N 2 1 212.337 1.001 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000336698618 386384375 /nfs/dbraw/zinc/38/43/75/386384375.db2.gz WVSBZASHWCNEOI-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000336698618 386384381 /nfs/dbraw/zinc/38/43/81/386384381.db2.gz WVSBZASHWCNEOI-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000336698618 386384386 /nfs/dbraw/zinc/38/43/86/386384386.db2.gz WVSBZASHWCNEOI-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414903427 386333273 /nfs/dbraw/zinc/33/32/73/386333273.db2.gz ZQGIIGPZZGQBLB-FRRDWIJNSA-N 3 1 227.396 1.624 20 0 BDADMP COc1cccc2c1CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000647989054 386334293 /nfs/dbraw/zinc/33/42/93/386334293.db2.gz CCDKAWFHCKEQHK-LBPRGKRZSA-N 2 1 246.354 1.663 20 0 BDADMP COc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000647989054 386334297 /nfs/dbraw/zinc/33/42/97/386334297.db2.gz CCDKAWFHCKEQHK-LBPRGKRZSA-N 2 1 246.354 1.663 20 0 BDADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)no1 ZINC000335275495 386335741 /nfs/dbraw/zinc/33/57/41/386335741.db2.gz BGGRZNQXYQXGIC-NSHDSACASA-N 2 1 249.358 1.947 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3cccnc3)C[C@@H]21 ZINC000230045787 386337219 /nfs/dbraw/zinc/33/72/19/386337219.db2.gz ZEBXEIIFILXLPY-QLFBSQMISA-N 2 1 245.370 1.683 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000133637841 386338803 /nfs/dbraw/zinc/33/88/03/386338803.db2.gz VBMJHSMWFUVGNC-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000133637841 386338809 /nfs/dbraw/zinc/33/88/09/386338809.db2.gz VBMJHSMWFUVGNC-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1cncn1C)CC[NH2+]CC2 ZINC000335276485 386339085 /nfs/dbraw/zinc/33/90/85/386339085.db2.gz DWFLPMSEEDQMAC-LBPRGKRZSA-N 2 1 248.374 1.384 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336754445 386439275 /nfs/dbraw/zinc/43/92/75/386439275.db2.gz HIBQMXHUHBQYMI-QJPTWQEYSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336754240 386444361 /nfs/dbraw/zinc/44/43/61/386444361.db2.gz ICVAWAFHJBCLHQ-CMPLNLGQSA-N 2 1 214.353 1.077 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336719032 386448456 /nfs/dbraw/zinc/44/84/56/386448456.db2.gz RMLZVAQEVXRVLG-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](CN)C1 ZINC000414769731 386449949 /nfs/dbraw/zinc/44/99/49/386449949.db2.gz NPSDXMMPJOFEPH-RQJABVFESA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000414769731 386449953 /nfs/dbraw/zinc/44/99/53/386449953.db2.gz NPSDXMMPJOFEPH-RQJABVFESA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414757456 386403040 /nfs/dbraw/zinc/40/30/40/386403040.db2.gz LDUXQYWMKZZYJT-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000339409599 386415376 /nfs/dbraw/zinc/41/53/76/386415376.db2.gz HNPALYLRAXKCSY-CQSZACIVSA-N 2 1 233.359 1.603 20 0 BDADMP Cc1ccc(CCC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000339408683 386415568 /nfs/dbraw/zinc/41/55/68/386415568.db2.gz URZQKDOIPLBCKI-ZFWWWQNUSA-N 2 1 247.386 1.992 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093466165 386415582 /nfs/dbraw/zinc/41/55/82/386415582.db2.gz LXBZTSHXDFVMES-SKDRFNHKSA-N 2 1 237.347 1.912 20 0 BDADMP Cc1ccc(CCC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000339408678 386415638 /nfs/dbraw/zinc/41/56/38/386415638.db2.gz URZQKDOIPLBCKI-HIFRSBDPSA-N 2 1 247.386 1.992 20 0 BDADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCC[NH3+])C1 ZINC000414763274 386427051 /nfs/dbraw/zinc/42/70/51/386427051.db2.gz XGYBDTOOOCGDBI-CYBMUJFWSA-N 2 1 242.363 1.246 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000414763889 386430456 /nfs/dbraw/zinc/43/04/56/386430456.db2.gz YFDMNYPEOYENBS-HZSPNIEDSA-N 2 1 239.407 1.386 20 0 BDADMP Cn1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277448388 386436486 /nfs/dbraw/zinc/43/64/86/386436486.db2.gz KOKPQINTHGBBBS-CQSZACIVSA-N 2 1 235.375 1.941 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277448388 386436493 /nfs/dbraw/zinc/43/64/93/386436493.db2.gz KOKPQINTHGBBBS-CQSZACIVSA-N 2 1 235.375 1.941 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353528145 386469641 /nfs/dbraw/zinc/46/96/41/386469641.db2.gz NKWPJCSRBQYUNP-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc12 ZINC000415010613 386475870 /nfs/dbraw/zinc/47/58/70/386475870.db2.gz PNYNBKAVADYNIH-HTQZYQBOSA-N 2 1 233.319 1.092 20 0 BDADMP Cc1cc(N)cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000335365192 386477364 /nfs/dbraw/zinc/47/73/64/386477364.db2.gz ZCSLSGGQAOQCDP-STQMWFEESA-N 2 1 219.332 1.547 20 0 BDADMP [NH3+]CC1(CN2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000414777513 386485256 /nfs/dbraw/zinc/48/52/56/386485256.db2.gz XXKRGKAGFWAGTQ-CYBMUJFWSA-N 2 1 237.391 1.047 20 0 BDADMP COc1cc(C)c(C[N@H+](C)C2CC([NH3+])C2)c(C)n1 ZINC000414779416 386492585 /nfs/dbraw/zinc/49/25/85/386492585.db2.gz RBXUNZCPPFGPPO-UHFFFAOYSA-N 2 1 249.358 1.629 20 0 BDADMP COc1cc(C)c(C[N@@H+](C)C2CC([NH3+])C2)c(C)n1 ZINC000414779416 386492588 /nfs/dbraw/zinc/49/25/88/386492588.db2.gz RBXUNZCPPFGPPO-UHFFFAOYSA-N 2 1 249.358 1.629 20 0 BDADMP Cn1ccnc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000062252824 386507588 /nfs/dbraw/zinc/50/75/88/386507588.db2.gz ITVAMZULPNNSIP-UHFFFAOYSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1ccnc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000062252824 386507594 /nfs/dbraw/zinc/50/75/94/386507594.db2.gz ITVAMZULPNNSIP-UHFFFAOYSA-N 2 1 236.363 1.242 20 0 BDADMP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccn[nH]2)CC1 ZINC000415020020 386509370 /nfs/dbraw/zinc/50/93/70/386509370.db2.gz FVULCWKFGLFVCQ-XYPYZODXSA-N 2 1 222.336 1.264 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@@H]1CCOC1 ZINC000415051533 386509572 /nfs/dbraw/zinc/50/95/72/386509572.db2.gz GCHFYYSZLXNJQQ-GHMZBOCLSA-N 2 1 214.353 1.376 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000415029180 386516032 /nfs/dbraw/zinc/51/60/32/386516032.db2.gz DMGFGSBGALVZHW-FQUUOJAGSA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000415029180 386516035 /nfs/dbraw/zinc/51/60/35/386516035.db2.gz DMGFGSBGALVZHW-FQUUOJAGSA-N 2 1 239.407 1.434 20 0 BDADMP Cc1ccncc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000135501752 386519978 /nfs/dbraw/zinc/51/99/78/386519978.db2.gz BVDOTVXKLDOEAP-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Cc1ccncc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000135501752 386519984 /nfs/dbraw/zinc/51/99/84/386519984.db2.gz BVDOTVXKLDOEAP-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Fc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415035917 386521168 /nfs/dbraw/zinc/52/11/68/386521168.db2.gz JHWCYGZUHSHSPU-ZDUSSCGKSA-N 2 1 238.306 1.294 20 0 BDADMP C[C@]1(CN2CC[N@H+]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000094440689 386454001 /nfs/dbraw/zinc/45/40/01/386454001.db2.gz WVLSQKIHKONWAE-KGLIPLIRSA-N 2 1 237.391 1.156 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC000414770136 386456835 /nfs/dbraw/zinc/45/68/35/386456835.db2.gz XTROPQCYCOZFIP-MGPQQGTHSA-N 3 1 237.391 1.060 20 0 BDADMP CO[C@]1(C)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336725090 386461579 /nfs/dbraw/zinc/46/15/79/386461579.db2.gz MURRWDQKQJOMQJ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@]1(C)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336725090 386461590 /nfs/dbraw/zinc/46/15/90/386461590.db2.gz MURRWDQKQJOMQJ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1C ZINC000415047494 386535081 /nfs/dbraw/zinc/53/50/81/386535081.db2.gz ARFTUJBHLVOBBI-CYBMUJFWSA-N 2 1 222.332 1.055 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCSC1 ZINC000415054207 386537059 /nfs/dbraw/zinc/53/70/59/386537059.db2.gz LKLXAUXBSBYYKU-UWVGGRQHSA-N 2 1 216.394 1.703 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711321 386541933 /nfs/dbraw/zinc/54/19/33/386541933.db2.gz OJTFAOGBIZWHSX-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP C[N@H+](Cc1cnccn1)CC1CC[NH+](C)CC1 ZINC000519739986 386542032 /nfs/dbraw/zinc/54/20/32/386542032.db2.gz AMSHCHAOEWYLKT-UHFFFAOYSA-N 2 1 234.347 1.250 20 0 BDADMP CC[C@H](COC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063727 386544774 /nfs/dbraw/zinc/54/47/74/386544774.db2.gz IYSXFGNXTPWGEO-VXGBXAGGSA-N 2 1 214.353 1.519 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000415065962 386548554 /nfs/dbraw/zinc/54/85/54/386548554.db2.gz IBRQMOHUHYVVSI-DGCLKSJQSA-N 3 1 225.380 1.249 20 0 BDADMP C[C@H](CC[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415072571 386563499 /nfs/dbraw/zinc/56/34/99/386563499.db2.gz WUSWUYDDFLREDZ-TZMCWYRMSA-N 2 1 236.359 1.432 20 0 BDADMP NC(=O)c1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415072306 386564136 /nfs/dbraw/zinc/56/41/36/386564136.db2.gz WCKJFXWOCRYERP-UHFFFAOYSA-N 2 1 247.342 1.017 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415074432 386565829 /nfs/dbraw/zinc/56/58/29/386565829.db2.gz PLCBMSZZGHTXKP-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNCC(C)(C)[NH3+] ZINC000415075423 386568537 /nfs/dbraw/zinc/56/85/37/386568537.db2.gz FGZHTTJDSLZFKJ-NSHDSACASA-N 2 1 213.369 1.188 20 0 BDADMP CCN1CCCC[C@H]1C[NH2+]CC(C)(C)[NH3+] ZINC000415075423 386568542 /nfs/dbraw/zinc/56/85/42/386568542.db2.gz FGZHTTJDSLZFKJ-NSHDSACASA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC000414794990 386570792 /nfs/dbraw/zinc/57/07/92/386570792.db2.gz UMRXENSFHNMGSD-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)n1 ZINC000414807128 386619233 /nfs/dbraw/zinc/61/92/33/386619233.db2.gz QWODWAPGKOOUKX-GXFFZTMASA-N 2 1 249.358 1.348 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nn1C ZINC000414808736 386623628 /nfs/dbraw/zinc/62/36/28/386623628.db2.gz SRZPSANBONJEFF-AAEUAGOBSA-N 2 1 236.363 1.336 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C[NH3+])C2CC2)CCO1 ZINC000414808334 386625247 /nfs/dbraw/zinc/62/52/47/386625247.db2.gz SEVZGTQMBANESW-RAIGVLPGSA-N 2 1 226.364 1.519 20 0 BDADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1C ZINC000414810120 386626546 /nfs/dbraw/zinc/62/65/46/386626546.db2.gz WUIJHWRKHGRDNS-UHFFFAOYSA-N 2 1 222.332 1.831 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415127434 386632336 /nfs/dbraw/zinc/63/23/36/386632336.db2.gz NAUPOZKABYZISH-LBPRGKRZSA-N 2 1 237.351 1.030 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414801763 386603623 /nfs/dbraw/zinc/60/36/23/386603623.db2.gz MDWNOSYBGPQLIR-CQSZACIVSA-N 2 1 247.342 1.472 20 0 BDADMP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1cccnc1 ZINC000415091627 386611366 /nfs/dbraw/zinc/61/13/66/386611366.db2.gz ZLROFLOTBGFPRI-KBPBESRZSA-N 2 1 233.359 1.773 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)on1 ZINC000647978652 386612352 /nfs/dbraw/zinc/61/23/52/386612352.db2.gz WHAVLIWMDKXFCC-CHWSQXEVSA-N 2 1 249.358 1.886 20 0 BDADMP Cc1ccncc1CCC[N@H+]1CC[C@@H](CO)C1 ZINC000278976111 386614859 /nfs/dbraw/zinc/61/48/59/386614859.db2.gz OZGAFGDVTZDWFX-CYBMUJFWSA-N 2 1 234.343 1.637 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cccc(F)c1 ZINC000520240326 386616983 /nfs/dbraw/zinc/61/69/83/386616983.db2.gz SMRILGSTJVXXOA-ZDUSSCGKSA-N 2 1 240.322 1.228 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000520240326 386616986 /nfs/dbraw/zinc/61/69/86/386616986.db2.gz SMRILGSTJVXXOA-ZDUSSCGKSA-N 2 1 240.322 1.228 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[NH3+])CC2 ZINC000335494660 386616952 /nfs/dbraw/zinc/61/69/52/386616952.db2.gz CQAIDGJYBZWHTR-MFKMUULPSA-N 2 1 204.317 1.919 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)n1 ZINC000414807127 386618492 /nfs/dbraw/zinc/61/84/92/386618492.db2.gz QWODWAPGKOOUKX-GWCFXTLKSA-N 2 1 249.358 1.348 20 0 BDADMP CCCc1csc(C[NH2+]CC[C@@H](C)[NH3+])n1 ZINC000414820224 386663554 /nfs/dbraw/zinc/66/35/54/386663554.db2.gz JGFVJLXEGHBQET-SECBINFHSA-N 2 1 227.377 1.923 20 0 BDADMP C[C@@H](Cc1[nH]cc[nH+]1)OCCC1CC[NH2+]CC1 ZINC000520403072 386666646 /nfs/dbraw/zinc/66/66/46/386666646.db2.gz GSJXIYBVHLVXNT-NSHDSACASA-N 2 1 237.347 1.747 20 0 BDADMP C[N@@H+](CCCCCO)Cc1cccc2nccn21 ZINC000279407962 386677542 /nfs/dbraw/zinc/67/75/42/386677542.db2.gz LUHZCNSLHUMYHQ-UHFFFAOYSA-N 2 1 247.342 1.929 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)COC ZINC000414816749 386658840 /nfs/dbraw/zinc/65/88/40/386658840.db2.gz QKMFIXLRIDDQGB-WDEREUQCSA-N 2 1 202.342 1.519 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000520604815 386705370 /nfs/dbraw/zinc/70/53/70/386705370.db2.gz YVXCUWWQPXFQCO-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP CCCn1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000414830531 386707808 /nfs/dbraw/zinc/70/78/08/386707808.db2.gz OPISTGYMGPDZLZ-GFCCVEGCSA-N 2 1 236.363 1.382 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414837835 386736061 /nfs/dbraw/zinc/73/60/61/386736061.db2.gz KFBMVICEBSPOFJ-CYBMUJFWSA-N 2 1 249.358 1.249 20 0 BDADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357089300 386714765 /nfs/dbraw/zinc/71/47/65/386714765.db2.gz PKPPPFDZIXZXAC-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1OC ZINC000414832165 386715708 /nfs/dbraw/zinc/71/57/08/386715708.db2.gz FABLGOBTRJZVLZ-LLVKDONJSA-N 2 1 222.332 1.640 20 0 BDADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCOCC[NH3+])C1 ZINC000357090229 386715740 /nfs/dbraw/zinc/71/57/40/386715740.db2.gz ZZFYZHLQKHADOA-VXGBXAGGSA-N 2 1 246.420 1.568 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414832597 386721762 /nfs/dbraw/zinc/72/17/62/386721762.db2.gz FFYOGELULWVWPX-NSHDSACASA-N 2 1 238.379 1.583 20 0 BDADMP C[NH2+]CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000414835696 386726766 /nfs/dbraw/zinc/72/67/66/386726766.db2.gz VOJQXWIJZIYFDL-GFCCVEGCSA-N 2 1 206.333 1.674 20 0 BDADMP Cc1ncc(CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000344835772 386756422 /nfs/dbraw/zinc/75/64/22/386756422.db2.gz JODWVQHLVWVTIN-QMTHXVAHSA-N 2 1 246.358 1.357 20 0 BDADMP COC1CCC([NH2+][C@@H](C[NH3+])CC(C)C)CC1 ZINC000414838948 386741116 /nfs/dbraw/zinc/74/11/16/386741116.db2.gz KZZCYZQEYZGSIP-OTTFEQOBSA-N 2 1 228.380 1.907 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000336668534 386791867 /nfs/dbraw/zinc/79/18/67/386791867.db2.gz MNWRYBNTBXWADJ-XQQFMLRXSA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000336668534 386791871 /nfs/dbraw/zinc/79/18/71/386791871.db2.gz MNWRYBNTBXWADJ-XQQFMLRXSA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336668534 386791878 /nfs/dbraw/zinc/79/18/78/386791878.db2.gz MNWRYBNTBXWADJ-XQQFMLRXSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000414934087 386792705 /nfs/dbraw/zinc/79/27/05/386792705.db2.gz UYJDWCOLJGAFPU-WDEREUQCSA-N 2 1 246.358 1.821 20 0 BDADMP C[C@H]1C[C@@H]1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071953 386786147 /nfs/dbraw/zinc/78/61/47/386786147.db2.gz CJGSOVHGEHHHSS-QWHCGFSZSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1nocc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000293205365 386788032 /nfs/dbraw/zinc/78/80/32/386788032.db2.gz IWGAMOPKZRIFQX-NSHDSACASA-N 2 1 246.314 1.532 20 0 BDADMP CCc1cc(OC)ccc1C[NH2+][C@@H](C)C[NH3+] ZINC000414935692 386811960 /nfs/dbraw/zinc/81/19/60/386811960.db2.gz BFQABSWAJLPPHV-JTQLQIEISA-N 2 1 222.332 1.694 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000334790427 386853545 /nfs/dbraw/zinc/85/35/45/386853545.db2.gz YCJQTEOCECGENG-UONOGXRCSA-N 2 1 248.374 1.368 20 0 BDADMP C[N@@H+](Cc1cccc2c[nH]nc21)C1CC[NH2+]CC1 ZINC000335713364 386843687 /nfs/dbraw/zinc/84/36/87/386843687.db2.gz NPRUHTCIYVGHIB-UHFFFAOYSA-N 2 1 244.342 1.747 20 0 BDADMP Cc1nc(CC[NH2+]C2CC[NH+](C)CC2)c(C)o1 ZINC000357802039 386845685 /nfs/dbraw/zinc/84/56/85/386845685.db2.gz YUCIDEYHOSFCMU-UHFFFAOYSA-N 2 1 237.347 1.518 20 0 BDADMP COC1CCC([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000334832657 386870282 /nfs/dbraw/zinc/87/02/82/386870282.db2.gz GXSLNISZNGJCHY-XVSSEFHLSA-N 2 1 226.364 1.674 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000334832901 386870450 /nfs/dbraw/zinc/87/04/50/386870450.db2.gz HQLOKSIYADWROS-FICVDOATSA-N 2 1 230.355 1.919 20 0 BDADMP C[C@H](CC[NH+](C)C)Nc1nc(N(C)C)cc[nH+]1 ZINC000301704179 386870710 /nfs/dbraw/zinc/87/07/10/386870710.db2.gz ATGVCARRJYMWEG-SNVBAGLBSA-N 2 1 237.351 1.295 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cscn1 ZINC000051919467 386872517 /nfs/dbraw/zinc/87/25/17/386872517.db2.gz BFBPFBFCCDOMFR-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cscn1 ZINC000051919467 386872523 /nfs/dbraw/zinc/87/25/23/386872523.db2.gz BFBPFBFCCDOMFR-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP CC1CCC([NH2+]C[C@H]2C[NH2+]CCN2C)CC1 ZINC000334836221 386878748 /nfs/dbraw/zinc/87/87/48/386878748.db2.gz CORMQNOGTDHLDN-WXRRBKDZSA-N 2 1 225.380 1.058 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000331668021 386881023 /nfs/dbraw/zinc/88/10/23/386881023.db2.gz RHQDHYQKSSQBTN-MROQNXINSA-N 2 1 225.380 1.363 20 0 BDADMP Cc1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358133712 386896526 /nfs/dbraw/zinc/89/65/26/386896526.db2.gz ISPVIAGRDAUDQE-AWEZNQCLSA-N 2 1 234.343 1.151 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358133712 386896530 /nfs/dbraw/zinc/89/65/30/386896530.db2.gz ISPVIAGRDAUDQE-AWEZNQCLSA-N 2 1 234.343 1.151 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358133712 386896534 /nfs/dbraw/zinc/89/65/34/386896534.db2.gz ISPVIAGRDAUDQE-AWEZNQCLSA-N 2 1 234.343 1.151 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000334856477 386909353 /nfs/dbraw/zinc/90/93/53/386909353.db2.gz YPNFWGYVXKXAIH-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000334856477 386909355 /nfs/dbraw/zinc/90/93/55/386909355.db2.gz YPNFWGYVXKXAIH-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000331996304 386938814 /nfs/dbraw/zinc/93/88/14/386938814.db2.gz OCAOOROJMAQXIW-HRDYMLBCSA-N 2 1 240.269 1.159 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000352899433 386952705 /nfs/dbraw/zinc/95/27/05/386952705.db2.gz CZSXVNHPKMGMIY-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107933278 387038391 /nfs/dbraw/zinc/03/83/91/387038391.db2.gz WYPLPSQCHCNULW-DGCLKSJQSA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000107980478 387039044 /nfs/dbraw/zinc/03/90/44/387039044.db2.gz BRSCWPUTIRHHJA-PWSUYJOCSA-N 2 1 222.307 1.995 20 0 BDADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000336764470 387049482 /nfs/dbraw/zinc/04/94/82/387049482.db2.gz QAKLUXQLXGHQIE-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070318115 387064760 /nfs/dbraw/zinc/06/47/60/387064760.db2.gz YDTVLFJZZONXEZ-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@@H](NC(=O)[C@@H]1CCCN1C)c1ncc[nH]1 ZINC000331294511 387009410 /nfs/dbraw/zinc/00/94/10/387009410.db2.gz YCWKUKOHJGJZBV-ZJUUUORDSA-N 2 1 236.319 1.071 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCC([NH3+])CC2)c1 ZINC000126350894 387016342 /nfs/dbraw/zinc/01/63/42/387016342.db2.gz LYVAMLBDCMVAFF-UHFFFAOYSA-N 2 1 235.331 1.322 20 0 BDADMP c1ncn([C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000368863880 387018608 /nfs/dbraw/zinc/01/86/08/387018608.db2.gz WGCUSVVCNOEPHS-ZDUSSCGKSA-N 2 1 249.362 1.011 20 0 BDADMP c1ncn([C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000368863880 387018614 /nfs/dbraw/zinc/01/86/14/387018614.db2.gz WGCUSVVCNOEPHS-ZDUSSCGKSA-N 2 1 249.362 1.011 20 0 BDADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000359208388 387067597 /nfs/dbraw/zinc/06/75/97/387067597.db2.gz BSKZAIULNQJQPF-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nccn1C ZINC000519156900 387022899 /nfs/dbraw/zinc/02/28/99/387022899.db2.gz ZXBUQOMQEAYKPO-NSHDSACASA-N 2 1 244.342 1.730 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@H]1CCCC[NH2+]1 ZINC000333344069 387028557 /nfs/dbraw/zinc/02/85/57/387028557.db2.gz YTPWISBWASLALW-RAIGVLPGSA-N 2 1 248.374 1.387 20 0 BDADMP CCCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766803 387071029 /nfs/dbraw/zinc/07/10/29/387071029.db2.gz OVPGCXAFTXNYQG-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP c1cncc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994505 387071087 /nfs/dbraw/zinc/07/10/87/387071087.db2.gz HWMSELKKTLLNEH-CYBMUJFWSA-N 2 1 217.316 1.267 20 0 BDADMP c1cncc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994505 387071090 /nfs/dbraw/zinc/07/10/90/387071090.db2.gz HWMSELKKTLLNEH-CYBMUJFWSA-N 2 1 217.316 1.267 20 0 BDADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cnn1C ZINC000160146925 387076186 /nfs/dbraw/zinc/07/61/86/387076186.db2.gz SAUOBRRBLJNCEU-GWCFXTLKSA-N 2 1 236.363 1.158 20 0 BDADMP Cc1c(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cnn1C ZINC000160146925 387076189 /nfs/dbraw/zinc/07/61/89/387076189.db2.gz SAUOBRRBLJNCEU-GWCFXTLKSA-N 2 1 236.363 1.158 20 0 BDADMP C/C=C\C[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000336765562 387078889 /nfs/dbraw/zinc/07/88/89/387078889.db2.gz OIBUBLUBOBTRJN-DXTPNHAXSA-N 2 1 226.364 1.387 20 0 BDADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cnn1C ZINC000228150974 387079879 /nfs/dbraw/zinc/07/98/79/387079879.db2.gz SAUOBRRBLJNCEU-MFKMUULPSA-N 2 1 236.363 1.158 20 0 BDADMP Cc1c(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cnn1C ZINC000228150974 387079882 /nfs/dbraw/zinc/07/98/82/387079882.db2.gz SAUOBRRBLJNCEU-MFKMUULPSA-N 2 1 236.363 1.158 20 0 BDADMP Fc1ccc2c(c1)[C@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000359294111 387080527 /nfs/dbraw/zinc/08/05/27/387080527.db2.gz AYQVJTREQUWISS-TYNCELHUSA-N 2 1 246.329 1.964 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000418088557 387095644 /nfs/dbraw/zinc/09/56/44/387095644.db2.gz KKLMSMORRRGMAZ-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[NH2+]C2)c1C ZINC000071311521 387103191 /nfs/dbraw/zinc/10/31/91/387103191.db2.gz XTHUCDFGIWQCMG-GFCCVEGCSA-N 2 1 249.358 1.501 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000335030030 387125237 /nfs/dbraw/zinc/12/52/37/387125237.db2.gz MRQVHMGVJAXLAP-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP Cc1cc(C[N@H+](C)CCC2CC[NH2+]CC2)no1 ZINC000359200479 387068059 /nfs/dbraw/zinc/06/80/59/387068059.db2.gz YKXVXIDRXAPSSL-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)no1 ZINC000359200479 387068064 /nfs/dbraw/zinc/06/80/64/387068064.db2.gz YKXVXIDRXAPSSL-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP CCC[C@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359214921 387068321 /nfs/dbraw/zinc/06/83/21/387068321.db2.gz HTQSQQADSQMXPE-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000359214921 387068324 /nfs/dbraw/zinc/06/83/24/387068324.db2.gz HTQSQQADSQMXPE-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H](COC)C1CCOCC1 ZINC000423313508 387150924 /nfs/dbraw/zinc/15/09/24/387150924.db2.gz UNRRMQPZDDIRLD-ZDUSSCGKSA-N 2 1 244.379 1.017 20 0 BDADMP CC[N@H+](CCC(=O)OC)CC[C@H]1CCC[NH+]1C ZINC000120091814 387156402 /nfs/dbraw/zinc/15/64/02/387156402.db2.gz KQJAHPWWPDMDFN-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CCC(=O)OC)CC[C@H]1CCC[N@@H+]1C ZINC000120091814 387156409 /nfs/dbraw/zinc/15/64/09/387156409.db2.gz KQJAHPWWPDMDFN-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CC[NH+](CCC(=O)OC)CC[C@H]1CCC[N@H+]1C ZINC000120091814 387156414 /nfs/dbraw/zinc/15/64/14/387156414.db2.gz KQJAHPWWPDMDFN-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP COc1cccc(C[C@@H]([NH2+][C@H](C)C[NH3+])C2CC2)c1 ZINC000423319812 387159820 /nfs/dbraw/zinc/15/98/20/387159820.db2.gz FNYIJMYVVRUMOE-IAQYHMDHSA-N 2 1 248.370 1.953 20 0 BDADMP Cc1cncc([C@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000423323388 387167246 /nfs/dbraw/zinc/16/72/46/387167246.db2.gz JHRCHQUMDMOSTI-NSHDSACASA-N 2 1 219.332 1.922 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423323724 387167442 /nfs/dbraw/zinc/16/74/42/387167442.db2.gz KDURKZSJVJKYHS-MROQNXINSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000423323220 387167705 /nfs/dbraw/zinc/16/77/05/387167705.db2.gz ADSCUGKTQLSWOY-UPJWGTAASA-N 3 1 225.380 1.093 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H](CN)C1CC1 ZINC000359876337 387180953 /nfs/dbraw/zinc/18/09/53/387180953.db2.gz LGDWGLJRYLPYHG-ZDUSSCGKSA-N 2 1 225.380 1.045 20 0 BDADMP CN(CCC1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000359876337 387180958 /nfs/dbraw/zinc/18/09/58/387180958.db2.gz LGDWGLJRYLPYHG-ZDUSSCGKSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1C ZINC000423335892 387183827 /nfs/dbraw/zinc/18/38/27/387183827.db2.gz SIAGTIOZCLHHGI-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000423335892 387183832 /nfs/dbraw/zinc/18/38/32/387183832.db2.gz SIAGTIOZCLHHGI-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1C ZINC000423335892 387183836 /nfs/dbraw/zinc/18/38/36/387183836.db2.gz SIAGTIOZCLHHGI-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[N@H+](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000309751980 387133424 /nfs/dbraw/zinc/13/34/24/387133424.db2.gz GYBMSDZOLWNJMI-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]1CC[N@@H+](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000309751980 387133428 /nfs/dbraw/zinc/13/34/28/387133428.db2.gz GYBMSDZOLWNJMI-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000423301958 387133951 /nfs/dbraw/zinc/13/39/51/387133951.db2.gz UTSJTYFHMVZGTB-XQQFMLRXSA-N 2 1 228.380 1.909 20 0 BDADMP COc1ccsc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423303846 387137425 /nfs/dbraw/zinc/13/74/25/387137425.db2.gz MQUWWDHWBQOVQI-MRVPVSSYSA-N 2 1 226.345 1.627 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1ccc(O)cc1 ZINC000019958119 387138295 /nfs/dbraw/zinc/13/82/95/387138295.db2.gz JUPSSTHFCAYLQV-UHFFFAOYSA-N 2 1 208.305 1.434 20 0 BDADMP CCOC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423304884 387139396 /nfs/dbraw/zinc/13/93/96/387139396.db2.gz PNQPUFPZAPUQDI-AGIUHOORSA-N 2 1 226.364 1.533 20 0 BDADMP CCOC[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423304885 387139623 /nfs/dbraw/zinc/13/96/23/387139623.db2.gz PNQPUFPZAPUQDI-FRRDWIJNSA-N 2 1 226.364 1.533 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](COC)C1CC1 ZINC000423304795 387139867 /nfs/dbraw/zinc/13/98/67/387139867.db2.gz ZLXFBICMUSDDFC-VXGBXAGGSA-N 2 1 214.353 1.519 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423359090 387210967 /nfs/dbraw/zinc/21/09/67/387210967.db2.gz KDCXRYWXPPRQDY-XDQVBPFNSA-N 2 1 240.391 1.779 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C12CCC2 ZINC000423359174 387211134 /nfs/dbraw/zinc/21/11/34/387211134.db2.gz CTYOPRYSXAKACQ-AXFHLTTASA-N 2 1 212.337 1.271 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423361587 387212441 /nfs/dbraw/zinc/21/24/41/387212441.db2.gz AHASTNIMXMMEJI-CMPLNLGQSA-N 2 1 220.316 1.317 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000423361808 387214079 /nfs/dbraw/zinc/21/40/79/387214079.db2.gz MQKMEEDAUFEYPU-WCQYABFASA-N 2 1 236.363 1.696 20 0 BDADMP C1CC([N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000371464174 387219248 /nfs/dbraw/zinc/21/92/48/387219248.db2.gz PHLILYKYWVXWME-IACUBPJLSA-N 2 1 220.360 1.955 20 0 BDADMP C1CC([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000371464174 387219250 /nfs/dbraw/zinc/21/92/50/387219250.db2.gz PHLILYKYWVXWME-IACUBPJLSA-N 2 1 220.360 1.955 20 0 BDADMP C1CC([NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000371464174 387219252 /nfs/dbraw/zinc/21/92/52/387219252.db2.gz PHLILYKYWVXWME-IACUBPJLSA-N 2 1 220.360 1.955 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423367648 387219394 /nfs/dbraw/zinc/21/93/94/387219394.db2.gz YQSFNXBNEBBDNR-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353517544 387220124 /nfs/dbraw/zinc/22/01/24/387220124.db2.gz JAKCPNNBROVPFG-DGAVXFQQSA-N 2 1 240.391 1.610 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353517549 387220709 /nfs/dbraw/zinc/22/07/09/387220709.db2.gz JAKCPNNBROVPFG-IGQOVBAYSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000423369319 387220976 /nfs/dbraw/zinc/22/09/76/387220976.db2.gz OHHAJYIUWHCVFB-GBIKHYSHSA-N 2 1 204.317 1.857 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353517293 387221355 /nfs/dbraw/zinc/22/13/55/387221355.db2.gz JWOVRFWEGTWXDA-AAVRWANBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCNc2ccccc21 ZINC000423369306 387221938 /nfs/dbraw/zinc/22/19/38/387221938.db2.gz OFQHDJRFIFIODT-GWCFXTLKSA-N 2 1 219.332 1.870 20 0 BDADMP C[N@@H+]1CC[C@H](CSCC[NH+]2CCOCC2)C1 ZINC000187677215 387224882 /nfs/dbraw/zinc/22/48/82/387224882.db2.gz BYCRXAMGODHQKZ-LBPRGKRZSA-N 2 1 244.404 1.004 20 0 BDADMP C[N@H+]1CC[C@H](CSCC[NH+]2CCOCC2)C1 ZINC000187677215 387224885 /nfs/dbraw/zinc/22/48/85/387224885.db2.gz BYCRXAMGODHQKZ-LBPRGKRZSA-N 2 1 244.404 1.004 20 0 BDADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cnn(C)c1 ZINC000423325479 387228822 /nfs/dbraw/zinc/22/88/22/387228822.db2.gz JVAKEXLIFQHOSJ-WCQYABFASA-N 2 1 236.363 1.460 20 0 BDADMP CC(C)[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccnc1 ZINC000423373340 387228865 /nfs/dbraw/zinc/22/88/65/387228865.db2.gz RXAGMRCFIAXCBX-CMPLNLGQSA-N 2 1 207.321 1.716 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000643497204 387228961 /nfs/dbraw/zinc/22/89/61/387228961.db2.gz RGMMZRXFYMNPBM-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423373283 387229505 /nfs/dbraw/zinc/22/95/05/387229505.db2.gz JCGRYNCUQGGILQ-OXHZDVMGSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000423373286 387230330 /nfs/dbraw/zinc/23/03/30/387230330.db2.gz JCGRYNCUQGGILQ-WVWOOGAGSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423326122 387230493 /nfs/dbraw/zinc/23/04/93/387230493.db2.gz MEYLSLJUEXQJBB-KXNHARMFSA-N 2 1 224.348 1.271 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423401349 387238047 /nfs/dbraw/zinc/23/80/47/387238047.db2.gz VZBKKRHULVVCCL-NMKXLXIOSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423401349 387238051 /nfs/dbraw/zinc/23/80/51/387238051.db2.gz VZBKKRHULVVCCL-NMKXLXIOSA-N 2 1 237.391 1.329 20 0 BDADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423407586 387244165 /nfs/dbraw/zinc/24/41/65/387244165.db2.gz WAWUPMYZFMMCIJ-GVXVVHGQSA-N 2 1 222.332 1.699 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416411 387247954 /nfs/dbraw/zinc/24/79/54/387247954.db2.gz CMTBAWWBWFIRAT-SYQHCUMBSA-N 3 1 239.407 1.339 20 0 BDADMP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000423344809 387196130 /nfs/dbraw/zinc/19/61/30/387196130.db2.gz YEXPDZUUJSNTHL-CHWSQXEVSA-N 2 1 239.407 1.496 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000514951568 387312416 /nfs/dbraw/zinc/31/24/16/387312416.db2.gz MPPBLYFVKOJCCJ-LBPRGKRZSA-N 2 1 248.374 1.922 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000423375409 387257394 /nfs/dbraw/zinc/25/73/94/387257394.db2.gz KLBRVTFKLAYQQX-GRYCIOLGSA-N 3 1 213.369 1.234 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000423390569 387276058 /nfs/dbraw/zinc/27/60/58/387276058.db2.gz WICOKKRLKDXFIL-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000423431075 387280909 /nfs/dbraw/zinc/28/09/09/387280909.db2.gz LHNSEJGRVUTDMW-SNXWAXQRSA-N 2 1 237.372 1.628 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423432311 387283270 /nfs/dbraw/zinc/28/32/70/387283270.db2.gz BALMETLRDQKLCK-AXFHLTTASA-N 2 1 207.321 1.776 20 0 BDADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000423432474 387283711 /nfs/dbraw/zinc/28/37/11/387283711.db2.gz MJYAQCSTMWWDLN-RFQIPJPRSA-N 2 1 216.328 1.945 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437459 387288778 /nfs/dbraw/zinc/28/87/78/387288778.db2.gz QQAFNINPVGESFW-FTYKPCCVSA-N 2 1 217.316 1.258 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(C)(C)O)CCN1C ZINC000360457909 387289264 /nfs/dbraw/zinc/28/92/64/387289264.db2.gz XBWAEBHZXPLFRA-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC(C)(C)O)CC[N@@H+]1C ZINC000360457909 387289266 /nfs/dbraw/zinc/28/92/66/387289266.db2.gz XBWAEBHZXPLFRA-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCC(C)(C)O)CC[N@H+]1C ZINC000360457909 387289268 /nfs/dbraw/zinc/28/92/68/387289268.db2.gz XBWAEBHZXPLFRA-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCC(C)(C)O)CC[NH+]1C ZINC000360457909 387289270 /nfs/dbraw/zinc/28/92/70/387289270.db2.gz XBWAEBHZXPLFRA-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(C)(C)O)CC[NH+]1C ZINC000360457909 387289273 /nfs/dbraw/zinc/28/92/73/387289273.db2.gz XBWAEBHZXPLFRA-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423442241 387292508 /nfs/dbraw/zinc/29/25/08/387292508.db2.gz JSFPJCWXXQVSAN-DCAQKATOSA-N 2 1 222.332 1.565 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)OCO2 ZINC000423447111 387297068 /nfs/dbraw/zinc/29/70/68/387297068.db2.gz ZJKGPQFPMUJGFW-HJUHTLPRSA-N 2 1 246.310 1.284 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000258842890 387303537 /nfs/dbraw/zinc/30/35/37/387303537.db2.gz DVEXNQGONOXNOF-RYUDHWBXSA-N 2 1 208.280 1.795 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)on1 ZINC000353995190 387307411 /nfs/dbraw/zinc/30/74/11/387307411.db2.gz HHHSDSFHKLFTLM-ZWNOBZJWSA-N 2 1 237.347 1.455 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccncc1 ZINC000423461022 387308509 /nfs/dbraw/zinc/30/85/09/387308509.db2.gz JFWPRIOTGZOPLA-NEPJUHHUSA-N 2 1 207.321 1.860 20 0 BDADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CCOCC1 ZINC000423527266 387356235 /nfs/dbraw/zinc/35/62/35/387356235.db2.gz MECIFFBRTJTLGE-RISCZKNCSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423529844 387359289 /nfs/dbraw/zinc/35/92/89/387359289.db2.gz YJDFQLIQYAVWSJ-CHWSQXEVSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H](NCCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423536061 387361353 /nfs/dbraw/zinc/36/13/53/387361353.db2.gz GISGBXCANGHSGD-YPMHNXCESA-N 2 1 223.364 1.026 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000643464505 387365540 /nfs/dbraw/zinc/36/55/40/387365540.db2.gz GHRRJBPKPKIBMG-SMDDNHRTSA-N 2 1 233.359 1.520 20 0 BDADMP Cc1nc(C)c(C)c(NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000354385573 387369558 /nfs/dbraw/zinc/36/95/58/387369558.db2.gz MOSCATGQJIIHBO-LBPRGKRZSA-N 2 1 234.347 1.187 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453447 387370783 /nfs/dbraw/zinc/37/07/83/387370783.db2.gz BWDAFMJUWSVIKS-KYOSRNDESA-N 2 1 230.355 1.914 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCCNC1 ZINC000423553586 387372312 /nfs/dbraw/zinc/37/23/12/387372312.db2.gz KMSOSAYYCHGSBP-NEPJUHHUSA-N 2 1 213.369 1.236 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000515384206 387373366 /nfs/dbraw/zinc/37/33/66/387373366.db2.gz DHFQLKQCEMYUOP-RHYQMDGZSA-N 2 1 214.328 1.855 20 0 BDADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423571890 387379244 /nfs/dbraw/zinc/37/92/44/387379244.db2.gz XXYDUGRIOSJHKG-ZDUSSCGKSA-N 2 1 248.374 1.529 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423490616 387336864 /nfs/dbraw/zinc/33/68/64/387336864.db2.gz IHPYPGRVHANSAZ-DGTMBMJNSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423490616 387336867 /nfs/dbraw/zinc/33/68/67/387336867.db2.gz IHPYPGRVHANSAZ-DGTMBMJNSA-N 2 1 239.407 1.432 20 0 BDADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623337308 387337210 /nfs/dbraw/zinc/33/72/10/387337210.db2.gz CQKOZODSMLTBAJ-ZDUSSCGKSA-N 2 1 241.423 1.791 20 0 BDADMP COC(=O)CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372990799 387337848 /nfs/dbraw/zinc/33/78/48/387337848.db2.gz PPPFOGWGDXUUQN-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372990799 387337857 /nfs/dbraw/zinc/33/78/57/387337857.db2.gz PPPFOGWGDXUUQN-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423501989 387341901 /nfs/dbraw/zinc/34/19/01/387341901.db2.gz LQMPOCLUSWWVMD-WCQYABFASA-N 2 1 228.380 1.909 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423503352 387342887 /nfs/dbraw/zinc/34/28/87/387342887.db2.gz FLLXCKDHWULKAX-NEPJUHHUSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423511467 387346931 /nfs/dbraw/zinc/34/69/31/387346931.db2.gz TUMVBHPSWFCNCG-ZMLRMANQSA-N 2 1 212.337 1.271 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H]1CCCO1 ZINC000423510979 387348357 /nfs/dbraw/zinc/34/83/57/387348357.db2.gz SYQCDWDVNJHDTE-DRZSPHRISA-N 2 1 226.364 1.661 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000643501197 387350606 /nfs/dbraw/zinc/35/06/06/387350606.db2.gz ADKJAZSCQHOZIP-XQQFMLRXSA-N 2 1 226.364 1.533 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC000423776436 387423422 /nfs/dbraw/zinc/42/34/22/387423422.db2.gz QLKMEJPLYWDHTJ-NEPJUHHUSA-N 2 1 243.395 1.079 20 0 BDADMP CC1(C)[C@H]([NH2+]CC[NH2+]C2CC2)[C@H]2CCCO[C@@H]21 ZINC000643506805 387461490 /nfs/dbraw/zinc/46/14/90/387461490.db2.gz JHDJWWRTWPLLBQ-UPJWGTAASA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000643466267 387386404 /nfs/dbraw/zinc/38/64/04/387386404.db2.gz OAZNFKCZAVSVMJ-CHWSQXEVSA-N 2 1 240.391 1.517 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCOCC[C@H]1C ZINC000373816228 387398266 /nfs/dbraw/zinc/39/82/66/387398266.db2.gz SFEHNHBMZJTKOZ-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCOCC[C@H]1C ZINC000373816228 387398269 /nfs/dbraw/zinc/39/82/69/387398269.db2.gz SFEHNHBMZJTKOZ-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH2+]C ZINC000423767734 387419032 /nfs/dbraw/zinc/41/90/32/387419032.db2.gz DTKHRJHDCXVFIN-LBPRGKRZSA-N 2 1 243.395 1.223 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000086251626 387518778 /nfs/dbraw/zinc/51/87/78/387518778.db2.gz PUXKQXCAAKNJKP-ZDUSSCGKSA-N 2 1 221.348 1.836 20 0 BDADMP CC[C@@H]([NH2+]CC[NH2+]C1CC1)[C@H]1CCOC1 ZINC000643506708 387464601 /nfs/dbraw/zinc/46/46/01/387464601.db2.gz GIRHISITNMUBLN-CMPLNLGQSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471052 387477267 /nfs/dbraw/zinc/47/72/67/387477267.db2.gz QZSNHBWHQYFBBN-FVCCEPFGSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507881 387479164 /nfs/dbraw/zinc/47/91/64/387479164.db2.gz UYPFCZRJRJRJRZ-RTXFEEFZSA-N 2 1 208.349 1.907 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCF)C1 ZINC000361517993 387480782 /nfs/dbraw/zinc/48/07/82/387480782.db2.gz GWHFQFGNSLFGQN-CYBMUJFWSA-N 2 1 246.370 1.779 20 0 BDADMP CO[C@H](C)C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000374690961 387480831 /nfs/dbraw/zinc/48/08/31/387480831.db2.gz BWLYUMZQSCRCTL-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@H](C)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000374690961 387480834 /nfs/dbraw/zinc/48/08/34/387480834.db2.gz BWLYUMZQSCRCTL-CHWSQXEVSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000374698479 387483815 /nfs/dbraw/zinc/48/38/15/387483815.db2.gz JLOYVLPZZVKZIE-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H]1C[C@H](N(C)Cc2nccn2C)CC[N@H+]1C ZINC000123609412 387588388 /nfs/dbraw/zinc/58/83/88/387588388.db2.gz JNGXIKFVURCDTO-VXGBXAGGSA-N 2 1 236.363 1.335 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1cccnc1 ZINC000123716551 387591726 /nfs/dbraw/zinc/59/17/26/387591726.db2.gz SCZLPEQXBLBAHQ-AWEZNQCLSA-N 2 1 235.375 1.929 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643511198 387591754 /nfs/dbraw/zinc/59/17/54/387591754.db2.gz OYLYEDZOWGQICJ-JSGCOSHPSA-N 3 1 241.423 1.680 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1 ZINC000643511312 387593327 /nfs/dbraw/zinc/59/33/27/387593327.db2.gz ZKSFPAMQBWDDJS-JHJVBQTASA-N 2 1 228.380 1.907 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000643512929 387596198 /nfs/dbraw/zinc/59/61/98/387596198.db2.gz LGEMQNIEAZHGLG-TUAOUCFPSA-N 2 1 212.337 1.271 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422715939 387628801 /nfs/dbraw/zinc/62/88/01/387628801.db2.gz SYXUCRPDFPPIBB-OUJBWJOFSA-N 2 1 237.347 1.552 20 0 BDADMP c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(C2CC2)c1 ZINC000422556803 387601195 /nfs/dbraw/zinc/60/11/95/387601195.db2.gz UOBVMNINGLCVQS-FICVDOATSA-N 2 1 228.339 1.871 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305364949 387601519 /nfs/dbraw/zinc/60/15/19/387601519.db2.gz VIAFMHJURWQIBJ-BFHYXJOUSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000422635889 387610718 /nfs/dbraw/zinc/61/07/18/387610718.db2.gz LZXJLNXFNIIXIB-BZPMIXESSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000422638215 387610870 /nfs/dbraw/zinc/61/08/70/387610870.db2.gz PZEBGEXGKCIOKF-NTZNESFSSA-N 2 1 248.374 1.299 20 0 BDADMP CCSCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422638687 387611019 /nfs/dbraw/zinc/61/10/19/387611019.db2.gz QXMKMPRUMVVJNF-UHFFFAOYSA-N 2 1 214.378 1.567 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000422638213 387611665 /nfs/dbraw/zinc/61/16/65/387611665.db2.gz PZEBGEXGKCIOKF-NQBHXWOUSA-N 2 1 248.374 1.299 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000305593633 387614366 /nfs/dbraw/zinc/61/43/66/387614366.db2.gz YKKCCIYITUUASC-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422701090 387614490 /nfs/dbraw/zinc/61/44/90/387614490.db2.gz BHGGXULCOVXGGB-RDBSUJKOSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422699912 387614956 /nfs/dbraw/zinc/61/49/56/387614956.db2.gz FLAONTSDQYFUPT-FPMFFAJLSA-N 2 1 240.391 1.658 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422702980 387618968 /nfs/dbraw/zinc/61/89/68/387618968.db2.gz LZSOHIGRMMKWBQ-NXEZZACHSA-N 2 1 223.320 1.427 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422704765 387621569 /nfs/dbraw/zinc/62/15/69/387621569.db2.gz APYNFQMFAAZUIE-VHSXEESVSA-N 2 1 223.320 1.306 20 0 BDADMP Cc1ccn2cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])nc2c1 ZINC000422710823 387624890 /nfs/dbraw/zinc/62/48/90/387624890.db2.gz GEFRZBKYLRNZBS-NWDGAFQWSA-N 2 1 246.358 1.858 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000430537812 387625689 /nfs/dbraw/zinc/62/56/89/387625689.db2.gz HXSOEDTZCCEANX-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430547326 387627952 /nfs/dbraw/zinc/62/79/52/387627952.db2.gz KSPVZDKRPQDHTF-LBPRGKRZSA-N 2 1 241.404 1.957 20 0 BDADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430603644 387633057 /nfs/dbraw/zinc/63/30/57/387633057.db2.gz YYNGPXZZDYSEJR-LLVKDONJSA-N 2 1 243.395 1.158 20 0 BDADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430603644 387633061 /nfs/dbraw/zinc/63/30/61/387633061.db2.gz YYNGPXZZDYSEJR-LLVKDONJSA-N 2 1 243.395 1.158 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422734112 387640962 /nfs/dbraw/zinc/64/09/62/387640962.db2.gz RVPNQQLFZLPQKH-DOMZBBRYSA-N 2 1 248.370 1.825 20 0 BDADMP CCOCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422732650 387641343 /nfs/dbraw/zinc/64/13/43/387641343.db2.gz QCRJSRNLIAJAMZ-JTQLQIEISA-N 2 1 223.320 1.571 20 0 BDADMP CCOCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422735059 387642606 /nfs/dbraw/zinc/64/26/06/387642606.db2.gz UKJFDNAETIIDQJ-MNOVXSKESA-N 2 1 200.326 1.001 20 0 BDADMP CCOc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422738490 387645755 /nfs/dbraw/zinc/64/57/55/387645755.db2.gz JJYIAGXVNDQOOB-NSHDSACASA-N 2 1 234.343 1.783 20 0 BDADMP C[C@@H](O)[C@@H]1CCCC[N@H+]1CCCn1ccnc1 ZINC000305757029 387646891 /nfs/dbraw/zinc/64/68/91/387646891.db2.gz AQFKBVGVECTVEC-OLZOCXBDSA-N 2 1 237.347 1.509 20 0 BDADMP C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000422741496 387647488 /nfs/dbraw/zinc/64/74/88/387647488.db2.gz ONNBQKKKQUOKAJ-OUCADQQQSA-N 2 1 239.407 1.589 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744908 387647614 /nfs/dbraw/zinc/64/76/14/387647614.db2.gz UIZVVFAWLVUWQV-HUUCEWRRSA-N 2 1 248.370 1.929 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000422745038 387648554 /nfs/dbraw/zinc/64/85/54/387648554.db2.gz ULNHMXKGGOQHQF-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000422745958 387649261 /nfs/dbraw/zinc/64/92/61/387649261.db2.gz NBXVMIFHOXSTDA-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422746145 387651392 /nfs/dbraw/zinc/65/13/92/387651392.db2.gz VZYODZUUPXZBKQ-MBNYWOFBSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000422746145 387651397 /nfs/dbraw/zinc/65/13/97/387651397.db2.gz VZYODZUUPXZBKQ-MBNYWOFBSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747621 387651640 /nfs/dbraw/zinc/65/16/40/387651640.db2.gz ZCLSCNWPQDGYND-CFVMTHIKSA-N 2 1 248.370 1.320 20 0 BDADMP CC[C@@H]([NH2+]CCn1ccnc1)[C@@H]1CCC[NH2+]1 ZINC000422750073 387655017 /nfs/dbraw/zinc/65/50/17/387655017.db2.gz CAXKTYZCPUQQNT-NEPJUHHUSA-N 2 1 222.336 1.003 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000422750268 387656614 /nfs/dbraw/zinc/65/66/14/387656614.db2.gz AJTWHVSZHYVMHJ-TUAOUCFPSA-N 2 1 248.326 1.296 20 0 BDADMP C[C@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430918484 387660120 /nfs/dbraw/zinc/66/01/20/387660120.db2.gz NEJRHVROUONIPJ-ZFWWWQNUSA-N 2 1 247.386 1.792 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422756877 387660313 /nfs/dbraw/zinc/66/03/13/387660313.db2.gz MATOIFNESNIGJV-QJPTWQEYSA-N 2 1 213.369 1.186 20 0 BDADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422757864 387660740 /nfs/dbraw/zinc/66/07/40/387660740.db2.gz NDSKSBRZGBLAMX-SOUVJXGZSA-N 2 1 247.386 1.759 20 0 BDADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1C[NH2+]C1 ZINC000422761880 387664276 /nfs/dbraw/zinc/66/42/76/387664276.db2.gz NAWCZCGXNROLFT-YPMHNXCESA-N 3 1 241.423 1.550 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOCC1CC1 ZINC000422777578 387675032 /nfs/dbraw/zinc/67/50/32/387675032.db2.gz CKVGEMZRXVQJBZ-WCQYABFASA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000422780169 387679411 /nfs/dbraw/zinc/67/94/11/387679411.db2.gz GZSSBELRURBWOP-KBPBESRZSA-N 3 1 239.407 1.450 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422781136 387681619 /nfs/dbraw/zinc/68/16/19/387681619.db2.gz KLEOGUYBUDWRIY-NEPJUHHUSA-N 3 1 227.396 1.576 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422787237 387685648 /nfs/dbraw/zinc/68/56/48/387685648.db2.gz UEZRQXDWJVVKHX-ZWNOBZJWSA-N 2 1 237.347 1.552 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694620 387687504 /nfs/dbraw/zinc/68/75/04/387687504.db2.gz YBBSLWASIJUQOT-DOERSZECSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694620 387687510 /nfs/dbraw/zinc/68/75/10/387687510.db2.gz YBBSLWASIJUQOT-DOERSZECSA-N 2 1 238.375 1.077 20 0 BDADMP CC(C)CCOCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126779951 387694252 /nfs/dbraw/zinc/69/42/52/387694252.db2.gz JWCMYBGIFQADRC-ZDUSSCGKSA-N 2 1 228.380 1.718 20 0 BDADMP CC(C)CCOCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126779951 387694257 /nfs/dbraw/zinc/69/42/57/387694257.db2.gz JWCMYBGIFQADRC-ZDUSSCGKSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861057 387742991 /nfs/dbraw/zinc/74/29/91/387742991.db2.gz IWPSFOKHDXQSHP-CZXHOFHRSA-N 2 1 237.391 1.342 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CCCO)C1 ZINC000452117847 387743855 /nfs/dbraw/zinc/74/38/55/387743855.db2.gz IQBMBTLROCOSAB-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452117847 387743862 /nfs/dbraw/zinc/74/38/62/387743862.db2.gz IQBMBTLROCOSAB-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](CCCO)C1 ZINC000452117847 387743868 /nfs/dbraw/zinc/74/38/68/387743868.db2.gz IQBMBTLROCOSAB-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422860984 387744292 /nfs/dbraw/zinc/74/42/92/387744292.db2.gz NLGFQHDQZAUQPO-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000422863820 387745960 /nfs/dbraw/zinc/74/59/60/387745960.db2.gz SHGDIHGEVJPELS-YPMHNXCESA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422864849 387747100 /nfs/dbraw/zinc/74/71/00/387747100.db2.gz WMCXWQYLFNHDIO-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422877909 387756522 /nfs/dbraw/zinc/75/65/22/387756522.db2.gz IUUOBFMBWQHEIW-KBPBESRZSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000157155308 387754549 /nfs/dbraw/zinc/75/45/49/387754549.db2.gz OLVGMQRJMPQBKO-BDAKNGLRSA-N 2 1 224.270 1.869 20 0 BDADMP C[C@@H]([NH2+]CCCn1cccn1)c1c[nH+]ccc1N ZINC000422807981 387704528 /nfs/dbraw/zinc/70/45/28/387704528.db2.gz KRMGQFXPRWSBMI-LLVKDONJSA-N 2 1 245.330 1.432 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCCCC1 ZINC000422807945 387706606 /nfs/dbraw/zinc/70/66/06/387706606.db2.gz KMVOJYZAPRRCEE-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCCO)CC1 ZINC000377267431 387707172 /nfs/dbraw/zinc/70/71/72/387707172.db2.gz PGPIXJBWBXJXTE-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1NCC[NH+]1CCCCC1 ZINC000422809354 387708900 /nfs/dbraw/zinc/70/89/00/387708900.db2.gz MBRVFQZBBVRSQQ-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422817126 387713844 /nfs/dbraw/zinc/71/38/44/387713844.db2.gz GUJCDSSWYHIEMC-CHWSQXEVSA-N 3 1 241.423 1.822 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422817313 387715755 /nfs/dbraw/zinc/71/57/55/387715755.db2.gz CVIXQBNJZTXAFE-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP CSCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377411557 387716644 /nfs/dbraw/zinc/71/66/44/387716644.db2.gz LOZMRLVMSGOPEQ-FOSCPWQOSA-N 2 1 228.405 1.906 20 0 BDADMP CSCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377411557 387716647 /nfs/dbraw/zinc/71/66/47/387716647.db2.gz LOZMRLVMSGOPEQ-FOSCPWQOSA-N 2 1 228.405 1.906 20 0 BDADMP CSCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377411557 387716653 /nfs/dbraw/zinc/71/66/53/387716653.db2.gz LOZMRLVMSGOPEQ-FOSCPWQOSA-N 2 1 228.405 1.906 20 0 BDADMP COc1ccc(CC[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000527794367 387719449 /nfs/dbraw/zinc/71/94/49/387719449.db2.gz ZTUMETFZZKRSSP-UHFFFAOYSA-N 2 1 249.358 1.317 20 0 BDADMP CC[N@@H+](CCN[C@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422877910 387755509 /nfs/dbraw/zinc/75/55/09/387755509.db2.gz IUUOBFMBWQHEIW-KGLIPLIRSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000452069430 387722239 /nfs/dbraw/zinc/72/22/39/387722239.db2.gz MQWZCUKOGFWYLI-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422852724 387737021 /nfs/dbraw/zinc/73/70/21/387737021.db2.gz BCBDZBZELMODKG-MQYQWHSLSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422852750 387737965 /nfs/dbraw/zinc/73/79/65/387737965.db2.gz BFANLPIPXZVKEX-ZOBORPQBSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCC[C@@H](C)C1 ZINC000422852750 387737970 /nfs/dbraw/zinc/73/79/70/387737970.db2.gz BFANLPIPXZVKEX-ZOBORPQBSA-N 2 1 241.423 1.822 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1(C)C ZINC000422855993 387737990 /nfs/dbraw/zinc/73/79/90/387737990.db2.gz WEFQQPLYMCWIEI-ZWKOPEQDSA-N 2 1 249.358 1.958 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422858818 387740111 /nfs/dbraw/zinc/74/01/11/387740111.db2.gz IVPYSICRBCGFGS-QWHCGFSZSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422858818 387740117 /nfs/dbraw/zinc/74/01/17/387740117.db2.gz IVPYSICRBCGFGS-QWHCGFSZSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000422858614 387741255 /nfs/dbraw/zinc/74/12/55/387741255.db2.gz GPZVDXRVTLXRIV-YIPFDTCYSA-N 2 1 249.402 1.484 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000643527481 387766194 /nfs/dbraw/zinc/76/61/94/387766194.db2.gz NMMIGHSCNMFXDN-QWRGUYRKSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1nccs1 ZINC000422913846 387771727 /nfs/dbraw/zinc/77/17/27/387771727.db2.gz QXMIPOLFLFNUME-MNOVXSKESA-N 2 1 239.388 1.663 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000422926216 387778835 /nfs/dbraw/zinc/77/88/35/387778835.db2.gz CGAGCRKHWGCUJY-IQJOONFLSA-N 2 1 222.336 1.503 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000422926216 387778838 /nfs/dbraw/zinc/77/88/38/387778838.db2.gz CGAGCRKHWGCUJY-IQJOONFLSA-N 2 1 222.336 1.503 20 0 BDADMP OC1CC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000432408934 387786627 /nfs/dbraw/zinc/78/66/27/387786627.db2.gz DJDBOEGSUPEKGV-QPPOZKHWSA-N 2 1 238.375 1.364 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422979080 387788975 /nfs/dbraw/zinc/78/89/75/387788975.db2.gz LFFOJALJTORRPE-MCIONIFRSA-N 2 1 242.407 1.904 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422978911 387789801 /nfs/dbraw/zinc/78/98/01/387789801.db2.gz KWWPRBPEZAJICH-WOPDTQHZSA-N 2 1 214.353 1.124 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422982171 387793069 /nfs/dbraw/zinc/79/30/69/387793069.db2.gz VTUVGPMSFAVZHG-VHSXEESVSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000422984566 387795641 /nfs/dbraw/zinc/79/56/41/387795641.db2.gz AZLAAYQEQDWKGS-WOPDTQHZSA-N 2 1 249.358 1.960 20 0 BDADMP CC(C)[N@H+](C)CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422963148 387813074 /nfs/dbraw/zinc/81/30/74/387813074.db2.gz HRPIBUXEQUJDNJ-NWDGAFQWSA-N 2 1 215.385 1.432 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422963148 387813078 /nfs/dbraw/zinc/81/30/78/387813078.db2.gz HRPIBUXEQUJDNJ-NWDGAFQWSA-N 3 1 215.385 1.432 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422963148 387813081 /nfs/dbraw/zinc/81/30/81/387813081.db2.gz HRPIBUXEQUJDNJ-NWDGAFQWSA-N 3 1 215.385 1.432 20 0 BDADMP C[C@H]([NH2+]CCCc1ccccn1)[C@H]1CCC[NH2+]1 ZINC000423001477 387805564 /nfs/dbraw/zinc/80/55/64/387805564.db2.gz XICAHHJOCSMZKY-GXTWGEPZSA-N 2 1 233.359 1.744 20 0 BDADMP COCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000193823448 387810599 /nfs/dbraw/zinc/81/05/99/387810599.db2.gz HCXUPEQLVQMXPK-UHFFFAOYSA-N 2 1 200.326 1.049 20 0 BDADMP COc1cccc(C2([NH2+][C@@H](C)C3C[NH2+]C3)CC2)c1 ZINC000422961764 387810936 /nfs/dbraw/zinc/81/09/36/387810936.db2.gz ZUFAKHVYVJXPLB-NSHDSACASA-N 2 1 246.354 1.882 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000422880750 387757946 /nfs/dbraw/zinc/75/79/46/387757946.db2.gz MPRPYXMGHDRKQI-WUHRBBMRSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]([NH2+]CCc1ccccc1O)[C@@H]1CCC[NH2+]1 ZINC000422974275 387823007 /nfs/dbraw/zinc/82/30/07/387823007.db2.gz QTLVITBYZNABSS-YPMHNXCESA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CO1 ZINC000564085063 387824464 /nfs/dbraw/zinc/82/44/64/387824464.db2.gz SJNFPUXYXBIFFJ-MBJXGIAVSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]([NH2+]C[C@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423007773 387829868 /nfs/dbraw/zinc/82/98/68/387829868.db2.gz ROWHNLCQORYQJO-CFVMTHIKSA-N 2 1 248.370 1.493 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423006493 387829955 /nfs/dbraw/zinc/82/99/55/387829955.db2.gz VMGPRXOFCUMDMZ-UPJWGTAASA-N 2 1 242.407 1.617 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2COC2)[C@@H]2CCC[C@H]21 ZINC000528026021 387830491 /nfs/dbraw/zinc/83/04/91/387830491.db2.gz IBQJPOQIZXNWPX-RWMBFGLXSA-N 2 1 224.348 1.095 20 0 BDADMP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423016344 387838274 /nfs/dbraw/zinc/83/82/74/387838274.db2.gz MHYCRCKLMKWQAJ-FRRDWIJNSA-N 2 1 240.391 1.514 20 0 BDADMP C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000423016940 387841149 /nfs/dbraw/zinc/84/11/49/387841149.db2.gz UYTZWNWYQXJXSB-RYDUCSDGSA-N 2 1 224.348 1.284 20 0 BDADMP CC1=CC[N@H+](CCN[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000423032178 387848392 /nfs/dbraw/zinc/84/83/92/387848392.db2.gz DZXWABZCQJUVST-KBPBESRZSA-N 2 1 237.391 1.226 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000423032178 387848396 /nfs/dbraw/zinc/84/83/96/387848396.db2.gz DZXWABZCQJUVST-KBPBESRZSA-N 2 1 237.391 1.226 20 0 BDADMP CC1=CC[N@H+](CCN[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423038784 387853018 /nfs/dbraw/zinc/85/30/18/387853018.db2.gz PBBBXXDNXYUSAK-KGLIPLIRSA-N 2 1 237.391 1.355 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423038784 387853020 /nfs/dbraw/zinc/85/30/20/387853020.db2.gz PBBBXXDNXYUSAK-KGLIPLIRSA-N 2 1 237.391 1.355 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000423047207 387857295 /nfs/dbraw/zinc/85/72/95/387857295.db2.gz FVTLSHNTHOKAJQ-DDHJBXDOSA-N 2 1 212.337 1.020 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]2C1 ZINC000193607334 387858718 /nfs/dbraw/zinc/85/87/18/387858718.db2.gz PAHKCAOLUHODAT-TXEJJXNPSA-N 2 1 210.365 1.916 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC000193607334 387858721 /nfs/dbraw/zinc/85/87/21/387858721.db2.gz PAHKCAOLUHODAT-TXEJJXNPSA-N 2 1 210.365 1.916 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423059074 387864144 /nfs/dbraw/zinc/86/41/44/387864144.db2.gz KZKYYYBPETXQRN-OLZOCXBDSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000643535854 387865631 /nfs/dbraw/zinc/86/56/31/387865631.db2.gz JWDGDHCQNIULNB-XQQFMLRXSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCCCN1 ZINC000643535854 387865633 /nfs/dbraw/zinc/86/56/33/387865633.db2.gz JWDGDHCQNIULNB-XQQFMLRXSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000643535843 387865899 /nfs/dbraw/zinc/86/58/99/387865899.db2.gz JWDGDHCQNIULNB-AGIUHOORSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCCN1 ZINC000643535843 387865903 /nfs/dbraw/zinc/86/59/03/387865903.db2.gz JWDGDHCQNIULNB-AGIUHOORSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000643535848 387866707 /nfs/dbraw/zinc/86/67/07/387866707.db2.gz JWDGDHCQNIULNB-FRRDWIJNSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCCN1 ZINC000643535848 387866711 /nfs/dbraw/zinc/86/67/11/387866711.db2.gz JWDGDHCQNIULNB-FRRDWIJNSA-N 2 1 237.391 1.249 20 0 BDADMP CC[C@H](N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536264 387867886 /nfs/dbraw/zinc/86/78/86/387867886.db2.gz PIHKCBDVOVWVFS-RWMBFGLXSA-N 2 1 237.391 1.249 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422965649 387816268 /nfs/dbraw/zinc/81/62/68/387816268.db2.gz PDJYUDRMNCQGOD-RYUDHWBXSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000442663168 387816637 /nfs/dbraw/zinc/81/66/37/387816637.db2.gz IZGKWEQLWLYUMH-DZGCQCFKSA-N 2 1 247.386 1.934 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000442663168 387816642 /nfs/dbraw/zinc/81/66/42/387816642.db2.gz IZGKWEQLWLYUMH-DZGCQCFKSA-N 2 1 247.386 1.934 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(F)(F)F ZINC000422968851 387818705 /nfs/dbraw/zinc/81/87/05/387818705.db2.gz SGQGEYZKPITNMP-DTWKUNHWSA-N 2 1 224.270 1.917 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423106988 387891588 /nfs/dbraw/zinc/89/15/88/387891588.db2.gz KDVQYQUJBDJCHI-STQMWFEESA-N 3 1 227.396 1.578 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423106988 387891592 /nfs/dbraw/zinc/89/15/92/387891592.db2.gz KDVQYQUJBDJCHI-STQMWFEESA-N 3 1 227.396 1.578 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000423110132 387892709 /nfs/dbraw/zinc/89/27/09/387892709.db2.gz UOYLCEQCYVRMMD-NSHDSACASA-N 2 1 246.358 1.822 20 0 BDADMP Cc1cccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000423111144 387893828 /nfs/dbraw/zinc/89/38/28/387893828.db2.gz VYNFRKJXMIYVER-SWLSCSKDSA-N 2 1 247.386 1.910 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000423114712 387895509 /nfs/dbraw/zinc/89/55/09/387895509.db2.gz WAMNJABQOJFEGH-LOWDOPEQSA-N 2 1 226.364 1.247 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423112236 387897017 /nfs/dbraw/zinc/89/70/17/387897017.db2.gz RUHTXIUUBSQILQ-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP COCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423116278 387898313 /nfs/dbraw/zinc/89/83/13/387898313.db2.gz PDEMUCTZDQAMAN-RYUDHWBXSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000423076322 387876067 /nfs/dbraw/zinc/87/60/67/387876067.db2.gz QWVNBKAYDZCJER-GRYCIOLGSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000423083276 387877669 /nfs/dbraw/zinc/87/76/69/387877669.db2.gz FSPGTWMHTICAGB-AVGNSLFASA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423083276 387877673 /nfs/dbraw/zinc/87/76/73/387877673.db2.gz FSPGTWMHTICAGB-AVGNSLFASA-N 2 1 241.423 1.822 20 0 BDADMP CSC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423082980 387879179 /nfs/dbraw/zinc/87/91/79/387879179.db2.gz GADXYMJBIQREMN-GHMZBOCLSA-N 2 1 228.405 1.860 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423119455 387900574 /nfs/dbraw/zinc/90/05/74/387900574.db2.gz CKLIUTQPKVLITO-GRYCIOLGSA-N 2 1 215.385 1.431 20 0 BDADMP COCC1(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423128781 387906618 /nfs/dbraw/zinc/90/66/18/387906618.db2.gz DLGOFNJZTNXIJA-QWHCGFSZSA-N 2 1 240.391 1.781 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423130507 387907534 /nfs/dbraw/zinc/90/75/34/387907534.db2.gz YRSJHVGCJQBQLX-AGIUHOORSA-N 2 1 229.412 1.822 20 0 BDADMP CCCCN(C)C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423130507 387907538 /nfs/dbraw/zinc/90/75/38/387907538.db2.gz YRSJHVGCJQBQLX-AGIUHOORSA-N 2 1 229.412 1.822 20 0 BDADMP COc1ccncc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423131859 387909561 /nfs/dbraw/zinc/90/95/61/387909561.db2.gz OPXIXMQNAQUNPR-ZJUUUORDSA-N 2 1 223.320 1.306 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423131480 387909735 /nfs/dbraw/zinc/90/97/35/387909735.db2.gz NZFIAGDSKLDWIB-QWRGUYRKSA-N 2 1 214.353 1.247 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423139460 387915451 /nfs/dbraw/zinc/91/54/51/387915451.db2.gz KTNVFEDCEVRGQQ-AVGNSLFASA-N 2 1 229.412 1.822 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)OC ZINC000423139492 387915776 /nfs/dbraw/zinc/91/57/76/387915776.db2.gz KWLGVODVJSZUMR-NXEZZACHSA-N 2 1 223.320 1.570 20 0 BDADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc[nH]c(=O)c1 ZINC000423139290 387916711 /nfs/dbraw/zinc/91/67/11/387916711.db2.gz VGWKURKQENUHOR-NHCYSSNCSA-N 2 1 235.331 1.578 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](OC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423140541 387917462 /nfs/dbraw/zinc/91/74/62/387917462.db2.gz YXQHFLCJFPDRGG-RWMBFGLXSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@H]([NH2+]CC1=CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423157971 387936122 /nfs/dbraw/zinc/93/61/22/387936122.db2.gz NFQOPOFSBSAYCC-STQMWFEESA-N 2 1 224.348 1.453 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000423143282 387920513 /nfs/dbraw/zinc/92/05/13/387920513.db2.gz WWFQEBMXFVEMOK-SDDRHHMPSA-N 2 1 214.353 1.532 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000423146064 387923643 /nfs/dbraw/zinc/92/36/43/387923643.db2.gz NSHFXOUPHCSCBS-AVGNSLFASA-N 2 1 228.380 1.922 20 0 BDADMP C[C@H]([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423167115 387952334 /nfs/dbraw/zinc/95/23/34/387952334.db2.gz WMKSVEHKIYIEAZ-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000423168336 387952884 /nfs/dbraw/zinc/95/28/84/387952884.db2.gz UKWBBGMRVCDJME-NEPJUHHUSA-N 2 1 225.380 1.330 20 0 BDADMP COCC[C@@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423168440 387955467 /nfs/dbraw/zinc/95/54/67/387955467.db2.gz HLPOMEYEHWJUAW-MNOVXSKESA-N 2 1 237.347 1.817 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000423158553 387938085 /nfs/dbraw/zinc/93/80/85/387938085.db2.gz OCEKQRBEDFNOIZ-WDEREUQCSA-N 2 1 249.362 1.289 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423158518 387938779 /nfs/dbraw/zinc/93/87/79/387938779.db2.gz CZDDRQDXIRCLKX-NNYUYHANSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423160082 387940466 /nfs/dbraw/zinc/94/04/66/387940466.db2.gz GUSMCLZFDRIIEQ-GXTWGEPZSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@H](NCCCC[N@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423160082 387940469 /nfs/dbraw/zinc/94/04/69/387940469.db2.gz GUSMCLZFDRIIEQ-GXTWGEPZSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](NCCCC[N@@H+](C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423160082 387940474 /nfs/dbraw/zinc/94/04/74/387940474.db2.gz GUSMCLZFDRIIEQ-GXTWGEPZSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@@H](C)O1 ZINC000392234623 387942440 /nfs/dbraw/zinc/94/24/40/387942440.db2.gz DDEUKDUHCDJRCV-NQBHXWOUSA-N 2 1 224.348 1.404 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423163525 387945128 /nfs/dbraw/zinc/94/51/28/387945128.db2.gz VSNNVJURVKXQOW-GMTAPVOTSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162814 387945533 /nfs/dbraw/zinc/94/55/33/387945533.db2.gz QGBOLVFYZHZWJJ-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162814 387945538 /nfs/dbraw/zinc/94/55/38/387945538.db2.gz QGBOLVFYZHZWJJ-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423162817 387946717 /nfs/dbraw/zinc/94/67/17/387946717.db2.gz QHFWCOJUYPUTIN-LPWJVIDDSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC1(C)C)C1C[NH2+]C1 ZINC000423164944 387947393 /nfs/dbraw/zinc/94/73/93/387947393.db2.gz PBWCOYUMJNPIKR-NSHDSACASA-N 2 1 225.380 1.058 20 0 BDADMP COc1cccnc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423165774 387948829 /nfs/dbraw/zinc/94/88/29/387948829.db2.gz QHOIBGXOXYUQHE-NWDGAFQWSA-N 2 1 249.358 1.697 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245449876 387949523 /nfs/dbraw/zinc/94/95/23/387949523.db2.gz OCPOSKNVEZFTKM-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423172769 387959806 /nfs/dbraw/zinc/95/98/06/387959806.db2.gz VDZRTHZIZMNYNQ-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000423176979 387962168 /nfs/dbraw/zinc/96/21/68/387962168.db2.gz DFRGLQKBJLUBFA-WXHSDQCUSA-N 2 1 204.317 1.727 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000423175793 387962800 /nfs/dbraw/zinc/96/28/00/387962800.db2.gz FCZGVMPJGAKEJK-JSGCOSHPSA-N 2 1 247.386 1.947 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423178651 387964383 /nfs/dbraw/zinc/96/43/83/387964383.db2.gz CIPPMMLKEVAPBU-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000423180477 387965592 /nfs/dbraw/zinc/96/55/92/387965592.db2.gz DYJPYWUVRHCKHM-ZOBORPQBSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+]CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423180143 387966035 /nfs/dbraw/zinc/96/60/35/387966035.db2.gz IFTDTZVIZFBRIW-UHFFFAOYSA-N 2 1 226.364 1.805 20 0 BDADMP CC[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000419316542 387967199 /nfs/dbraw/zinc/96/71/99/387967199.db2.gz XAYVMLLRISSJAA-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2cncn2c1 ZINC000423170510 387956828 /nfs/dbraw/zinc/95/68/28/387956828.db2.gz MHUBNZMAIHLXKY-NSHDSACASA-N 2 1 232.331 1.551 20 0 BDADMP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192139 387978537 /nfs/dbraw/zinc/97/85/37/387978537.db2.gz PNQPUFPZAPUQDI-YNEHKIRRSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000423195049 387979101 /nfs/dbraw/zinc/97/91/01/387979101.db2.gz XHXBHGXIIPLBJQ-XQHKEYJVSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])c1cc2c(s1)CCC2 ZINC000423195244 387979441 /nfs/dbraw/zinc/97/94/41/387979441.db2.gz ZBEOHZYXSLTABY-MRVPVSSYSA-N 2 1 210.346 1.846 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCCO1 ZINC000245694979 387973003 /nfs/dbraw/zinc/97/30/03/387973003.db2.gz WSHGXOGVRNIDLX-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC000245694979 387973005 /nfs/dbraw/zinc/97/30/05/387973005.db2.gz WSHGXOGVRNIDLX-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC000245694979 387973009 /nfs/dbraw/zinc/97/30/09/387973009.db2.gz WSHGXOGVRNIDLX-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CCCCO[C@@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C ZINC000423192002 387977731 /nfs/dbraw/zinc/97/77/31/387977731.db2.gz UZDWNJPHHNVZJI-WDEREUQCSA-N 2 1 214.353 1.519 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]CC[NH3+])C[C@@H]1c1ccccc1 ZINC000423192054 387978397 /nfs/dbraw/zinc/97/83/97/387978397.db2.gz VFGUMCRBKHZFRK-DRZSPHRISA-N 2 1 204.317 1.727 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000439296027 387990978 /nfs/dbraw/zinc/99/09/78/387990978.db2.gz OUHAIQNFWFNRMF-JOCQHMNTSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000439296027 387990981 /nfs/dbraw/zinc/99/09/81/387990981.db2.gz OUHAIQNFWFNRMF-JOCQHMNTSA-N 2 1 237.347 1.427 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccncc1F ZINC000423211034 387994998 /nfs/dbraw/zinc/99/49/98/387994998.db2.gz KOUSBMYMOHGEDL-GHMZBOCLSA-N 2 1 237.322 1.871 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000423198245 387984263 /nfs/dbraw/zinc/98/42/63/387984263.db2.gz DVISBQDQPKCNQN-NSHDSACASA-N 2 1 207.321 1.650 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccncc1F ZINC000423211237 387995749 /nfs/dbraw/zinc/99/57/49/387995749.db2.gz KOUSBMYMOHGEDL-WDEREUQCSA-N 2 1 237.322 1.871 20 0 BDADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCC1 ZINC000453106741 387986269 /nfs/dbraw/zinc/98/62/69/387986269.db2.gz ZWTNYHSXZRAMCS-KBPBESRZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423214329 387997695 /nfs/dbraw/zinc/99/76/95/387997695.db2.gz OQDYPNZMAIBJBW-UPJWGTAASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423214329 387997700 /nfs/dbraw/zinc/99/77/00/387997700.db2.gz OQDYPNZMAIBJBW-UPJWGTAASA-N 2 1 237.391 1.201 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C ZINC000245960867 387998021 /nfs/dbraw/zinc/99/80/21/387998021.db2.gz SGJDPYCWRILHBX-NTZNESFSSA-N 2 1 237.347 1.595 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000420405395 388000171 /nfs/dbraw/zinc/00/01/71/388000171.db2.gz MTHYODRXRPYFTF-TZMCWYRMSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423221199 388002538 /nfs/dbraw/zinc/00/25/38/388002538.db2.gz ZHAOCNBEWCYCQT-MNOVXSKESA-N 2 1 237.322 1.871 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH2+]C)C12CCC2 ZINC000423222778 388004405 /nfs/dbraw/zinc/00/44/05/388004405.db2.gz COPXCUBJVMUNNQ-GHMZBOCLSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000246116390 388011204 /nfs/dbraw/zinc/01/12/04/388011204.db2.gz UADRXLOMCHJAKD-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423225061 388007276 /nfs/dbraw/zinc/00/72/76/388007276.db2.gz LDTKAKJWSLZATD-NWDGAFQWSA-N 2 1 228.380 1.635 20 0 BDADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000453200972 388008900 /nfs/dbraw/zinc/00/89/00/388008900.db2.gz RRKUJISONNAXOX-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000453200972 388008902 /nfs/dbraw/zinc/00/89/02/388008902.db2.gz RRKUJISONNAXOX-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000423225900 388009232 /nfs/dbraw/zinc/00/92/32/388009232.db2.gz ORMFPHPSQZTEBP-IUCAKERBSA-N 2 1 240.303 1.454 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]CC[NH2+]C)C12CCCC2 ZINC000423226649 388010275 /nfs/dbraw/zinc/01/02/75/388010275.db2.gz RPDNSJUNBGVDQZ-RYUDHWBXSA-N 2 1 226.364 1.533 20 0 BDADMP C[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423228075 388014159 /nfs/dbraw/zinc/01/41/59/388014159.db2.gz YCCAZDZJTJOUQN-DZGCQCFKSA-N 2 1 247.386 1.458 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423237742 388020331 /nfs/dbraw/zinc/02/03/31/388020331.db2.gz DSFIGLXXLQUHEE-JHJVBQTASA-N 2 1 226.364 1.391 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000423239041 388022718 /nfs/dbraw/zinc/02/27/18/388022718.db2.gz ROYRPVLLAXJJDL-YNEHKIRRSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@H]1CCCCN1 ZINC000423238651 388022834 /nfs/dbraw/zinc/02/28/34/388022834.db2.gz AKEWJBHMQKWAEU-YNEHKIRRSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000446757231 388037068 /nfs/dbraw/zinc/03/70/68/388037068.db2.gz SAJONSBGLYTPEU-ZFWWWQNUSA-N 2 1 248.370 1.446 20 0 BDADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000446757231 388037072 /nfs/dbraw/zinc/03/70/72/388037072.db2.gz SAJONSBGLYTPEU-ZFWWWQNUSA-N 2 1 248.370 1.446 20 0 BDADMP COC[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000446751885 388037399 /nfs/dbraw/zinc/03/73/99/388037399.db2.gz MODNNDPKNCBMIU-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000082645470 388039108 /nfs/dbraw/zinc/03/91/08/388039108.db2.gz ZKEQNRKDKINRNH-NEPJUHHUSA-N 2 1 219.332 1.641 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1nccn1C ZINC000423265964 388044543 /nfs/dbraw/zinc/04/45/43/388044543.db2.gz BMGXMZLSBAWFCC-SDDRHHMPSA-N 2 1 236.363 1.588 20 0 BDADMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@@H]1CCOC1 ZINC000423263195 388040258 /nfs/dbraw/zinc/04/02/58/388040258.db2.gz OCMUIZGXHJTIAS-AGIUHOORSA-N 2 1 228.380 1.765 20 0 BDADMP C[NH2+]CC[NH2+]C1CCc2ccccc2CC1 ZINC000423245836 388028761 /nfs/dbraw/zinc/02/87/61/388028761.db2.gz MKXBGUZMSPCUNQ-UHFFFAOYSA-N 2 1 218.344 1.743 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1scnc1C ZINC000087472718 135142123 /nfs/dbraw/zinc/14/21/23/135142123.db2.gz PMFHOBOCMVZFCH-UHFFFAOYSA-N 2 1 227.377 1.535 20 0 BDADMP CC[C@@H](NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423249987 388031211 /nfs/dbraw/zinc/03/12/11/388031211.db2.gz PSJAAYMBUCKVGE-XQQFMLRXSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccncc1 ZINC000423275878 388056818 /nfs/dbraw/zinc/05/68/18/388056818.db2.gz MFRKBJUDICDRFZ-BXKDBHETSA-N 2 1 205.305 1.470 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccccn1 ZINC000423276982 388057991 /nfs/dbraw/zinc/05/79/91/388057991.db2.gz PDWMHYVJOTTYDH-MNOVXSKESA-N 2 1 207.321 1.588 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@H+]1C ZINC000453386691 388067278 /nfs/dbraw/zinc/06/72/78/388067278.db2.gz OUXZEPNDYLYBML-ZDEQEGDKSA-N 2 1 226.364 1.220 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423287491 388071347 /nfs/dbraw/zinc/07/13/47/388071347.db2.gz MPSZHEIWGAYNHG-YPMHNXCESA-N 2 1 239.407 1.576 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423287491 388071350 /nfs/dbraw/zinc/07/13/50/388071350.db2.gz MPSZHEIWGAYNHG-YPMHNXCESA-N 2 1 239.407 1.576 20 0 BDADMP Cc1cncc([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000423287863 388072482 /nfs/dbraw/zinc/07/24/82/388072482.db2.gz OZAYHMNFHXJQQG-JTQLQIEISA-N 2 1 207.321 1.778 20 0 BDADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cn[nH]c1 ZINC000453398693 388072710 /nfs/dbraw/zinc/07/27/10/388072710.db2.gz KTDFWLSGRRZBJG-NSHDSACASA-N 2 1 236.363 1.935 20 0 BDADMP C[N@H+]1CC[C@H](NCC(C)(C)[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423288326 388072890 /nfs/dbraw/zinc/07/28/90/388072890.db2.gz RSACQJYUWHLNON-SRVKXCTJSA-N 2 1 225.380 1.186 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000423289949 388074174 /nfs/dbraw/zinc/07/41/74/388074174.db2.gz YOVSDXGOZKBTIF-VXGBXAGGSA-N 2 1 227.396 1.434 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423289313 388074709 /nfs/dbraw/zinc/07/47/09/388074709.db2.gz WSRQWNIIGYFKDW-YNEHKIRRSA-N 2 1 241.423 1.822 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000423294820 388076799 /nfs/dbraw/zinc/07/67/99/388076799.db2.gz CUFXVCYILLBDBC-IJLUTSLNSA-N 2 1 214.353 1.519 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423294609 388077116 /nfs/dbraw/zinc/07/71/16/388077116.db2.gz CIZYJGMKTUSDFA-YNEHKIRRSA-N 2 1 239.407 1.719 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423294607 388077245 /nfs/dbraw/zinc/07/72/45/388077245.db2.gz CIZYJGMKTUSDFA-UPJWGTAASA-N 2 1 239.407 1.719 20 0 BDADMP Cn1cnc2cc(C[NH+]3CCC([NH3+])CC3)ccc21 ZINC000084556236 388079001 /nfs/dbraw/zinc/07/90/01/388079001.db2.gz NYOVGBPSCYXPLJ-UHFFFAOYSA-N 2 1 244.342 1.496 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423297640 388080167 /nfs/dbraw/zinc/08/01/67/388080167.db2.gz LCNLVUUUYVVLGM-YRGRVCCFSA-N 2 1 239.407 1.576 20 0 BDADMP CCCN(c1cc[nH+]c(N(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000085432153 388088711 /nfs/dbraw/zinc/08/87/11/388088711.db2.gz CUVQSZSWOSWTJH-LLVKDONJSA-N 2 1 249.362 1.121 20 0 BDADMP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000119151134 388109980 /nfs/dbraw/zinc/10/99/80/388109980.db2.gz UBFLXCUNDUDXKK-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000119151134 388109984 /nfs/dbraw/zinc/10/99/84/388109984.db2.gz UBFLXCUNDUDXKK-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1nccc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000119151229 388111505 /nfs/dbraw/zinc/11/15/05/388111505.db2.gz UBFLXCUNDUDXKK-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000119151229 388111507 /nfs/dbraw/zinc/11/15/07/388111507.db2.gz UBFLXCUNDUDXKK-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP CC[C@H](Cn1cncn1)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423267517 388046013 /nfs/dbraw/zinc/04/60/13/388046013.db2.gz TWHVZEMSLOQNRH-NEPJUHHUSA-N 2 1 239.367 1.020 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000453338219 388050448 /nfs/dbraw/zinc/05/04/48/388050448.db2.gz FVDNQNUPZUIZCM-DGAVXFQQSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)CCO)[C@H](C)C1 ZINC000449359903 388181690 /nfs/dbraw/zinc/18/16/90/388181690.db2.gz RUSDXVGJACMTOD-MJBXVCDLSA-N 2 1 242.407 1.715 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449076774 388139832 /nfs/dbraw/zinc/13/98/32/388139832.db2.gz HYIFKYCEDPGGGB-RWMBFGLXSA-N 2 1 244.379 1.110 20 0 BDADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000449112940 388144434 /nfs/dbraw/zinc/14/44/34/388144434.db2.gz DXLGBGDCSZVKCB-VXGBXAGGSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000166661588 388255055 /nfs/dbraw/zinc/25/50/55/388255055.db2.gz OAXZFQPDYBHHGP-ZJUUUORDSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000166661588 388255057 /nfs/dbraw/zinc/25/50/57/388255057.db2.gz OAXZFQPDYBHHGP-ZJUUUORDSA-N 2 1 225.361 1.702 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449487247 388217191 /nfs/dbraw/zinc/21/71/91/388217191.db2.gz XIWKSXREZCARFH-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000449569335 388235022 /nfs/dbraw/zinc/23/50/22/388235022.db2.gz BEBNIGLPCXUSRY-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC)COC2)[C@H](C)C1 ZINC000449596900 388239484 /nfs/dbraw/zinc/23/94/84/388239484.db2.gz CSEQOOGJLICHIH-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000451452488 388275066 /nfs/dbraw/zinc/27/50/66/388275066.db2.gz GXTCGMLTWMYJAW-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](O)[C@H]1C ZINC000451452488 388275068 /nfs/dbraw/zinc/27/50/68/388275068.db2.gz GXTCGMLTWMYJAW-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000234474055 388356187 /nfs/dbraw/zinc/35/61/87/388356187.db2.gz DGHJGBNOKDFKNO-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000234474055 388356189 /nfs/dbraw/zinc/35/61/89/388356189.db2.gz DGHJGBNOKDFKNO-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1 ZINC000235143445 388365746 /nfs/dbraw/zinc/36/57/46/388365746.db2.gz FCCJWOISZBUZSD-RYUDHWBXSA-N 2 1 206.333 1.945 20 0 BDADMP C[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000235150586 388366512 /nfs/dbraw/zinc/36/65/12/388366512.db2.gz FCCJWOISZBUZSD-NEPJUHHUSA-N 2 1 206.333 1.945 20 0 BDADMP C[C@H](CN)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000235462814 388369291 /nfs/dbraw/zinc/36/92/91/388369291.db2.gz TZUOWPXKCBAZPG-RKDXNWHRSA-N 2 1 222.288 1.413 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc[nH+]1 ZINC000646512639 388373393 /nfs/dbraw/zinc/37/33/93/388373393.db2.gz LNKJSKUWWCZPTD-LLVKDONJSA-N 2 1 248.330 1.084 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000572855500 388381786 /nfs/dbraw/zinc/38/17/86/388381786.db2.gz BJFOIOWIUKFJJS-MJBXVCDLSA-N 2 1 239.407 1.720 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCOC1(C)C ZINC000293829306 388392346 /nfs/dbraw/zinc/39/23/46/388392346.db2.gz SIPNZPGOYYLJRU-LLVKDONJSA-N 2 1 223.320 1.349 20 0 BDADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000315825887 388403178 /nfs/dbraw/zinc/40/31/78/388403178.db2.gz ZKZYZLBHTXXBIZ-HZSPNIEDSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322705332 388444011 /nfs/dbraw/zinc/44/40/11/388444011.db2.gz MUMGSSRYJHPZGV-XYTAGDGMSA-N 2 1 240.416 1.953 20 0 BDADMP C[C@H](O)CCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308637580 388445674 /nfs/dbraw/zinc/44/56/74/388445674.db2.gz UZHHOLSOYWOHTQ-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000336345885 388457186 /nfs/dbraw/zinc/45/71/86/388457186.db2.gz HDHWVJXYTVQFAI-LSDHHAIUSA-N 3 1 249.402 1.465 20 0 BDADMP C[NH+]1CC=C(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000336345885 388457187 /nfs/dbraw/zinc/45/71/87/388457187.db2.gz HDHWVJXYTVQFAI-LSDHHAIUSA-N 3 1 249.402 1.465 20 0 BDADMP C[NH+]1CC=C(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336345885 388457190 /nfs/dbraw/zinc/45/71/90/388457190.db2.gz HDHWVJXYTVQFAI-LSDHHAIUSA-N 3 1 249.402 1.465 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000309810786 388465833 /nfs/dbraw/zinc/46/58/33/388465833.db2.gz UCGPPOQGUKPOSP-NJMOYASZSA-N 2 1 226.364 1.218 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000397414501 388468439 /nfs/dbraw/zinc/46/84/39/388468439.db2.gz XJQGDTXUCRFUCH-BZPMIXESSA-N 2 1 233.359 1.887 20 0 BDADMP CCc1cc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000649253111 388471074 /nfs/dbraw/zinc/47/10/74/388471074.db2.gz NCJFIHWLPSOABA-TXEJJXNPSA-N 2 1 249.358 1.321 20 0 BDADMP CCc1cc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000649253111 388471076 /nfs/dbraw/zinc/47/10/76/388471076.db2.gz NCJFIHWLPSOABA-TXEJJXNPSA-N 2 1 249.358 1.321 20 0 BDADMP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336888320 388429743 /nfs/dbraw/zinc/42/97/43/388429743.db2.gz FFIIVFFWQNUEOZ-AGIUHOORSA-N 2 1 238.375 1.770 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000352539443 388537561 /nfs/dbraw/zinc/53/75/61/388537561.db2.gz ARQXCBPDXMYGQI-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CO[C@@H](C[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000339526250 388485238 /nfs/dbraw/zinc/48/52/38/388485238.db2.gz AXAKKRVONKJEAP-LBPRGKRZSA-N 2 1 212.337 1.095 20 0 BDADMP c1cnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000341879433 388496323 /nfs/dbraw/zinc/49/63/23/388496323.db2.gz UUGHODMPJPHRIA-OCCSQVGLSA-N 2 1 246.358 1.236 20 0 BDADMP C[NH+](CCOCC[N@H+](C)C1CCC1)C1CCC1 ZINC000178723111 388504080 /nfs/dbraw/zinc/50/40/80/388504080.db2.gz OKGYQGUTWTWNKS-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+](C)C)CC1 ZINC000397860846 388507045 /nfs/dbraw/zinc/50/70/45/388507045.db2.gz YEABWGIHOOOONL-NWDGAFQWSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860846 388507048 /nfs/dbraw/zinc/50/70/48/388507048.db2.gz YEABWGIHOOOONL-NWDGAFQWSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860846 388507051 /nfs/dbraw/zinc/50/70/51/388507051.db2.gz YEABWGIHOOOONL-NWDGAFQWSA-N 2 1 225.380 1.010 20 0 BDADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000517030086 388533451 /nfs/dbraw/zinc/53/34/51/388533451.db2.gz NBGAEDUZEIDJEV-HNNXBMFYSA-N 2 1 247.386 1.993 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCOC1 ZINC000352539441 388537017 /nfs/dbraw/zinc/53/70/17/388537017.db2.gz ARQXCBPDXMYGQI-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP CCc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000649304867 388589445 /nfs/dbraw/zinc/58/94/45/388589445.db2.gz ZTVKRPCLCMCKKP-FZMZJTMJSA-N 2 1 249.358 1.197 20 0 BDADMP CCc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000649304867 388589448 /nfs/dbraw/zinc/58/94/48/388589448.db2.gz ZTVKRPCLCMCKKP-FZMZJTMJSA-N 2 1 249.358 1.197 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(O)C1 ZINC000245570697 388590832 /nfs/dbraw/zinc/59/08/32/388590832.db2.gz GOHGRIBFTPUJTC-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000245570697 388590833 /nfs/dbraw/zinc/59/08/33/388590833.db2.gz GOHGRIBFTPUJTC-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](C)(O)C1 ZINC000245570697 388590834 /nfs/dbraw/zinc/59/08/34/388590834.db2.gz GOHGRIBFTPUJTC-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000357839539 388553796 /nfs/dbraw/zinc/55/37/96/388553796.db2.gz HUKKCHGERCXPMP-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000360930397 388559926 /nfs/dbraw/zinc/55/99/26/388559926.db2.gz LGBUDZLQQIVVFD-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000360930397 388559927 /nfs/dbraw/zinc/55/99/27/388559927.db2.gz LGBUDZLQQIVVFD-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000360930397 388559930 /nfs/dbraw/zinc/55/99/30/388559930.db2.gz LGBUDZLQQIVVFD-TZMCWYRMSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000080773993 388561114 /nfs/dbraw/zinc/56/11/14/388561114.db2.gz LVUNADXCCSYKGH-LBPRGKRZSA-N 2 1 207.321 1.446 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528760267 388568230 /nfs/dbraw/zinc/56/82/30/388568230.db2.gz JQUXOCJUTOXDDJ-NOHGZBONSA-N 2 1 237.347 1.593 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC)[C@@H](C)C1 ZINC000245422676 388577650 /nfs/dbraw/zinc/57/76/50/388577650.db2.gz JAWICQBOHYXGHG-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC)[C@@H](C)C1 ZINC000245422676 388577651 /nfs/dbraw/zinc/57/76/51/388577651.db2.gz JAWICQBOHYXGHG-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC)[C@@H](C)C1 ZINC000245422676 388577654 /nfs/dbraw/zinc/57/76/54/388577654.db2.gz JAWICQBOHYXGHG-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP CC[N@H+]1CC[C@@H](NCc2ccnn2C)[C@@H](C)C1 ZINC000245439330 388579760 /nfs/dbraw/zinc/57/97/60/388579760.db2.gz ZLKFTMQLYDLUSO-WCQYABFASA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnn2C)[C@@H](C)C1 ZINC000245439330 388579764 /nfs/dbraw/zinc/57/97/64/388579764.db2.gz ZLKFTMQLYDLUSO-WCQYABFASA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnn2C)[C@@H](C)C1 ZINC000245439330 388579767 /nfs/dbraw/zinc/57/97/67/388579767.db2.gz ZLKFTMQLYDLUSO-WCQYABFASA-N 2 1 236.363 1.240 20 0 BDADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000085591141 388670605 /nfs/dbraw/zinc/67/06/05/388670605.db2.gz UOJCBXMWNKUPFS-GFCCVEGCSA-N 2 1 221.348 1.457 20 0 BDADMP CC[NH+](CC)CCCN(C)CC[N@@H+](C)C1CC1 ZINC000191839728 388671664 /nfs/dbraw/zinc/67/16/64/388671664.db2.gz RMRIPSDGAWOTBW-UHFFFAOYSA-N 2 1 241.423 1.744 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000248494999 388682352 /nfs/dbraw/zinc/68/23/52/388682352.db2.gz PZSRXGGCUXHSNO-OYLDRBDASA-N 2 1 246.420 1.072 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000248494999 388682355 /nfs/dbraw/zinc/68/23/55/388682355.db2.gz PZSRXGGCUXHSNO-OYLDRBDASA-N 2 1 246.420 1.072 20 0 BDADMP CCC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192727505 388682860 /nfs/dbraw/zinc/68/28/60/388682860.db2.gz LFMRXPKFNNWSPY-UHFFFAOYSA-N 2 1 241.423 1.744 20 0 BDADMP CC1(C)CC(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000530219015 388632017 /nfs/dbraw/zinc/63/20/17/388632017.db2.gz IMQRHQXIYVXWFQ-STQMWFEESA-N 2 1 222.376 1.964 20 0 BDADMP Cc1ncccc1C[NH2+]C1CC[NH2+]CC1 ZINC000530218928 388632179 /nfs/dbraw/zinc/63/21/79/388632179.db2.gz HZFYYGHCYCPVRF-UHFFFAOYSA-N 2 1 205.305 1.232 20 0 BDADMP CC[C@@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCCC[NH2+]1 ZINC000530223316 388633717 /nfs/dbraw/zinc/63/37/17/388633717.db2.gz TXZXQYINVTUUPC-CEUNDQEZSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccncc1 ZINC000530225430 388635757 /nfs/dbraw/zinc/63/57/57/388635757.db2.gz ZTFPFXJEBYTECP-PWSUYJOCSA-N 2 1 205.305 1.137 20 0 BDADMP [NH3+]CCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000530233589 388636780 /nfs/dbraw/zinc/63/67/80/388636780.db2.gz XPWQZYQWBPGMPT-UHFFFAOYSA-N 2 1 232.331 1.061 20 0 BDADMP [NH3+]CCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000530233589 388636782 /nfs/dbraw/zinc/63/67/82/388636782.db2.gz XPWQZYQWBPGMPT-UHFFFAOYSA-N 2 1 232.331 1.061 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCOC ZINC000246859608 388654064 /nfs/dbraw/zinc/65/40/64/388654064.db2.gz BWGUQWBYQRKPMN-VXGBXAGGSA-N 2 1 216.369 1.731 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCOC ZINC000246859608 388654067 /nfs/dbraw/zinc/65/40/67/388654067.db2.gz BWGUQWBYQRKPMN-VXGBXAGGSA-N 2 1 216.369 1.731 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000249987654 388735226 /nfs/dbraw/zinc/73/52/26/388735226.db2.gz NCRFDDAQEFVWAA-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250576386 388737909 /nfs/dbraw/zinc/73/79/09/388737909.db2.gz FMGMMHGYZCMLLA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250557657 388738046 /nfs/dbraw/zinc/73/80/46/388738046.db2.gz BMWVBTQUBNVMLF-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250661917 388738341 /nfs/dbraw/zinc/73/83/41/388738341.db2.gz YXXSRGBUYPEMEL-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251576137 388749607 /nfs/dbraw/zinc/74/96/07/388749607.db2.gz AWDCCQXHLOSCJY-SNPRPXQTSA-N 2 1 248.370 1.402 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000248988739 388703849 /nfs/dbraw/zinc/70/38/49/388703849.db2.gz FMKXEJQQRWZMNJ-RFQIPJPRSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000249162689 388711920 /nfs/dbraw/zinc/71/19/20/388711920.db2.gz ZMIIQAZRDIEWJS-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000249162689 388711921 /nfs/dbraw/zinc/71/19/21/388711921.db2.gz ZMIIQAZRDIEWJS-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)COC)[C@@H](C)C1 ZINC000249262594 388714015 /nfs/dbraw/zinc/71/40/15/388714015.db2.gz HYKGFRFUDOMDNN-IHRRRGAJSA-N 2 1 242.407 1.931 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)COC)[C@@H](C)C1 ZINC000249262594 388714017 /nfs/dbraw/zinc/71/40/17/388714017.db2.gz HYKGFRFUDOMDNN-IHRRRGAJSA-N 2 1 242.407 1.931 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)COC)[C@@H](C)C1 ZINC000249262594 388714019 /nfs/dbraw/zinc/71/40/19/388714019.db2.gz HYKGFRFUDOMDNN-IHRRRGAJSA-N 2 1 242.407 1.931 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)CC)C1 ZINC000249365723 388717793 /nfs/dbraw/zinc/71/77/93/388717793.db2.gz MJINACIOYSNHCZ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249365723 388717795 /nfs/dbraw/zinc/71/77/95/388717795.db2.gz MJINACIOYSNHCZ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249365723 388717797 /nfs/dbraw/zinc/71/77/97/388717797.db2.gz MJINACIOYSNHCZ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000128929899 388804055 /nfs/dbraw/zinc/80/40/55/388804055.db2.gz UWNTXNVPEVMXSD-JSGCOSHPSA-N 2 1 233.359 1.554 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703290 388772251 /nfs/dbraw/zinc/77/22/51/388772251.db2.gz QIMFCPBUIWBUOP-TUAOUCFPSA-N 2 1 228.405 1.954 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715987 388774730 /nfs/dbraw/zinc/77/47/30/388774730.db2.gz XIETVBQAYCZECT-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000252713996 388775353 /nfs/dbraw/zinc/77/53/53/388775353.db2.gz QTHJVLOOGNIUDR-UTUOFQBUSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@H]1C[C@H](NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000093978069 388856577 /nfs/dbraw/zinc/85/65/77/388856577.db2.gz AHOYTSCOKMUKDO-WCQYABFASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H](NCC[NH+]2CCCC2)CC[N@H+]1C ZINC000129731817 388868377 /nfs/dbraw/zinc/86/83/77/388868377.db2.gz NWNMNMZTWHLIBD-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000069890417 388870403 /nfs/dbraw/zinc/87/04/03/388870403.db2.gz NOVIOXLJPNQALI-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000129810711 388871555 /nfs/dbraw/zinc/87/15/55/388871555.db2.gz JJAIQDMKPHJXOE-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@]1(C)CO ZINC000565645189 388960337 /nfs/dbraw/zinc/96/03/37/388960337.db2.gz FGGYGFZPSDFYTD-VXGBXAGGSA-N 2 1 214.353 1.207 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000153360744 388966696 /nfs/dbraw/zinc/96/66/96/388966696.db2.gz WYHFLRGKIWMARJ-VXGBXAGGSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086727101 135495741 /nfs/dbraw/zinc/49/57/41/135495741.db2.gz KQKWEYPATTXOFE-ZJUUUORDSA-N 2 1 210.346 1.631 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cncs2)CC1 ZINC000271823015 389026057 /nfs/dbraw/zinc/02/60/57/389026057.db2.gz NFKWTTRTGRGGRM-UHFFFAOYSA-N 2 1 223.345 1.495 20 0 BDADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000334321212 533360389 /nfs/dbraw/zinc/36/03/89/533360389.db2.gz HTIRTGKIYJBANE-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@@H]([NH2+]CCc1ccco1)[C@H]1CCC[NH2+]1 ZINC000400357597 533405664 /nfs/dbraw/zinc/40/56/64/533405664.db2.gz BADKOLDYHUODMK-ZYHUDNBSSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@H]1C ZINC000494904884 533644950 /nfs/dbraw/zinc/64/49/50/533644950.db2.gz ZYSJMDKDHHNOTD-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000336626364 132249157 /nfs/dbraw/zinc/24/91/57/132249157.db2.gz XBVVYVYSCAOOSS-NEPJUHHUSA-N 2 1 219.332 1.919 20 0 BDADMP Cc1cc(N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc[nH+]1 ZINC000372336358 132285788 /nfs/dbraw/zinc/28/57/88/132285788.db2.gz GBCIYOREFSNJPQ-JSGCOSHPSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc(C)[nH+]1 ZINC000053712408 132363576 /nfs/dbraw/zinc/36/35/76/132363576.db2.gz AAHPFQMFLWOHSQ-AOOOYVTPSA-N 2 1 220.320 1.280 20 0 BDADMP Cc1cc[nH+]c(N2CCC[C@H](CC[NH3+])C2)c1 ZINC000069626302 132397656 /nfs/dbraw/zinc/39/76/56/132397656.db2.gz PPNXLBFNYSDPAI-GFCCVEGCSA-N 2 1 219.332 1.955 20 0 BDADMP Cc1nocc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000335943255 134018868 /nfs/dbraw/zinc/01/88/68/134018868.db2.gz ZUBNDJAXVRIIHI-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335943255 134018869 /nfs/dbraw/zinc/01/88/69/134018869.db2.gz ZUBNDJAXVRIIHI-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000335943255 134018870 /nfs/dbraw/zinc/01/88/70/134018870.db2.gz ZUBNDJAXVRIIHI-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000335943255 134018871 /nfs/dbraw/zinc/01/88/71/134018871.db2.gz ZUBNDJAXVRIIHI-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP CC(C)[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000335951364 134021843 /nfs/dbraw/zinc/02/18/43/134021843.db2.gz SFBMIWNZMOVQEQ-GXTWGEPZSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000335951364 134021844 /nfs/dbraw/zinc/02/18/44/134021844.db2.gz SFBMIWNZMOVQEQ-GXTWGEPZSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H](F)CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000352006599 134034826 /nfs/dbraw/zinc/03/48/26/134034826.db2.gz URMYIQSBFYHANB-CHWSQXEVSA-N 2 1 244.354 1.389 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000336000011 134044047 /nfs/dbraw/zinc/04/40/47/134044047.db2.gz HCKFAUKJKXSEDM-LSDHHAIUSA-N 2 1 246.354 1.330 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000336000011 134044048 /nfs/dbraw/zinc/04/40/48/134044048.db2.gz HCKFAUKJKXSEDM-LSDHHAIUSA-N 2 1 246.354 1.330 20 0 BDADMP Cc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)no1 ZINC000336022481 134056224 /nfs/dbraw/zinc/05/62/24/134056224.db2.gz XSRUNNIDJKPUOV-ZDUSSCGKSA-N 2 1 249.358 1.805 20 0 BDADMP [NH3+][C@@H](CNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000168234169 134160547 /nfs/dbraw/zinc/16/05/47/134160547.db2.gz FPMDHIJQKVRMGV-VIFPVBQESA-N 2 1 216.288 1.712 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000218761796 134260236 /nfs/dbraw/zinc/26/02/36/134260236.db2.gz UAQBUVWGFCOYBW-GDLCADMTSA-N 2 1 234.343 1.882 20 0 BDADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC000177302932 134299381 /nfs/dbraw/zinc/29/93/81/134299381.db2.gz JSQQLKNZPOZIKC-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000177724328 134301435 /nfs/dbraw/zinc/30/14/35/134301435.db2.gz WMRNMPNZEJCYAV-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP OCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000177724328 134301436 /nfs/dbraw/zinc/30/14/36/134301436.db2.gz WMRNMPNZEJCYAV-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP CSCC[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000220376991 134305863 /nfs/dbraw/zinc/30/58/63/134305863.db2.gz MEWOGGZDPRZGLL-VIFPVBQESA-N 2 1 204.383 1.797 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC[N@@H+]1C ZINC000222648725 134333835 /nfs/dbraw/zinc/33/38/35/134333835.db2.gz UDAZZPVCYSWMMR-FMKGYKFTSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC[N@H+]1C ZINC000222648725 134333836 /nfs/dbraw/zinc/33/38/36/134333836.db2.gz UDAZZPVCYSWMMR-FMKGYKFTSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000222792355 134334122 /nfs/dbraw/zinc/33/41/22/134334122.db2.gz RLKXJAFINOQZOV-RYMFRWLXSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222910618 134335982 /nfs/dbraw/zinc/33/59/82/134335982.db2.gz YUMQSZFHNVZGQL-FRRDWIJNSA-N 2 1 227.396 1.399 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224378984 134346284 /nfs/dbraw/zinc/34/62/84/134346284.db2.gz CVJAHRYAGMZDNM-RYUDHWBXSA-N 2 1 228.405 1.671 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCSC1 ZINC000224373262 134346445 /nfs/dbraw/zinc/34/64/45/134346445.db2.gz KIRNSRQIRFFANN-NSHDSACASA-N 2 1 240.416 1.956 20 0 BDADMP CCC[C@H](CCO)C[NH2+]C1CC[NH+](C)CC1 ZINC000226329369 134360121 /nfs/dbraw/zinc/36/01/21/134360121.db2.gz ZKBQRZWSOLJREN-GFCCVEGCSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226828044 134369777 /nfs/dbraw/zinc/36/97/77/134369777.db2.gz USZXTERXEIVMCD-AGIUHOORSA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226828044 134369778 /nfs/dbraw/zinc/36/97/78/134369778.db2.gz USZXTERXEIVMCD-AGIUHOORSA-N 2 1 236.363 1.344 20 0 BDADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000226921353 134371724 /nfs/dbraw/zinc/37/17/24/134371724.db2.gz SVRYAZOWGHIGFH-JHJVBQTASA-N 2 1 224.348 1.382 20 0 BDADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000226921353 134371725 /nfs/dbraw/zinc/37/17/25/134371725.db2.gz SVRYAZOWGHIGFH-JHJVBQTASA-N 2 1 224.348 1.382 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227222971 134376228 /nfs/dbraw/zinc/37/62/28/134376228.db2.gz DQOPOMRUZYOSCI-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@H](CO)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541402 134382843 /nfs/dbraw/zinc/38/28/43/134382843.db2.gz GSFNPGIBYFIKOP-BIMULSAOSA-N 2 1 220.316 1.349 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccncc1 ZINC000227730721 134385862 /nfs/dbraw/zinc/38/58/62/134385862.db2.gz WMAGSEJUSNXFBM-ZDUSSCGKSA-N 2 1 221.348 1.887 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccncc1 ZINC000227730721 134385864 /nfs/dbraw/zinc/38/58/64/134385864.db2.gz WMAGSEJUSNXFBM-ZDUSSCGKSA-N 2 1 221.348 1.887 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249055881 135030796 /nfs/dbraw/zinc/03/07/96/135030796.db2.gz YQAAZWZEBVJQNX-RKFYDKJMSA-N 2 1 238.375 1.769 20 0 BDADMP CC[N@H+](CCNc1cc[nH+]c(N(C)C)n1)C1CC1 ZINC000077215193 135059916 /nfs/dbraw/zinc/05/99/16/135059916.db2.gz ZYWWIOCVIUAFRB-UHFFFAOYSA-N 2 1 249.362 1.439 20 0 BDADMP CC[N@@H+](CCNc1cc[nH+]c(N(C)C)n1)C1CC1 ZINC000077215193 135059919 /nfs/dbraw/zinc/05/99/19/135059919.db2.gz ZYWWIOCVIUAFRB-UHFFFAOYSA-N 2 1 249.362 1.439 20 0 BDADMP C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250834358 135060193 /nfs/dbraw/zinc/06/01/93/135060193.db2.gz KJPGZQRINNWLQT-KGLIPLIRSA-N 2 1 237.391 1.299 20 0 BDADMP Cc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1C ZINC000250895756 135060608 /nfs/dbraw/zinc/06/06/08/135060608.db2.gz VHVBRZWURZTJIU-KBPBESRZSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C ZINC000250895756 135060609 /nfs/dbraw/zinc/06/06/09/135060609.db2.gz VHVBRZWURZTJIU-KBPBESRZSA-N 2 1 248.374 1.445 20 0 BDADMP C[C@H](c1cccs1)[N@@H+](C)CCOCC[NH3+] ZINC000086435530 135084018 /nfs/dbraw/zinc/08/40/18/135084018.db2.gz LBMHSHKYVGIMMW-SNVBAGLBSA-N 2 1 228.361 1.716 20 0 BDADMP CCC[N@@H+](CCOCC[NH3+])CC1CC1 ZINC000086435497 135084198 /nfs/dbraw/zinc/08/41/98/135084198.db2.gz IILXXAPXIBIPTK-UHFFFAOYSA-N 2 1 200.326 1.084 20 0 BDADMP CC1(C)CCC[N@@H+](CCOCC[NH3+])C1 ZINC000086435817 135084617 /nfs/dbraw/zinc/08/46/17/135084617.db2.gz IBAUPGXPTLIKHW-UHFFFAOYSA-N 2 1 200.326 1.084 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1F ZINC000086435463 135084827 /nfs/dbraw/zinc/08/48/27/135084827.db2.gz IEDKYXHTQLAKFD-UHFFFAOYSA-N 2 1 226.295 1.233 20 0 BDADMP CCSCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696684 135096790 /nfs/dbraw/zinc/09/67/90/135096790.db2.gz BUYKMHWTIYKDDE-NXEZZACHSA-N 2 1 202.367 1.409 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000252689864 135097026 /nfs/dbraw/zinc/09/70/26/135097026.db2.gz SLDVMTLEWAVPDO-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252709087 135098154 /nfs/dbraw/zinc/09/81/54/135098154.db2.gz BYFRJQGZPSPSDW-FDYHWXHSSA-N 2 1 228.380 1.466 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000252731520 135104599 /nfs/dbraw/zinc/10/45/99/135104599.db2.gz QGQWCUYDXACTDI-AULYBMBSSA-N 2 1 226.364 1.364 20 0 BDADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252812032 135111812 /nfs/dbraw/zinc/11/18/12/135111812.db2.gz PLBBXHNVOYGOPQ-VXGBXAGGSA-N 2 1 214.353 1.341 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252856618 135114374 /nfs/dbraw/zinc/11/43/74/135114374.db2.gz KXTCLVAWAKZZGX-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP C[N@H+](CCc1nccs1)C[C@]1(C)CC[NH2+]C1 ZINC000262136227 135115718 /nfs/dbraw/zinc/11/57/18/135115718.db2.gz YTHHEJIINSXFAN-GFCCVEGCSA-N 2 1 239.388 1.617 20 0 BDADMP C[N@@H+](CCc1nccs1)C[C@]1(C)CC[NH2+]C1 ZINC000262136227 135115719 /nfs/dbraw/zinc/11/57/19/135115719.db2.gz YTHHEJIINSXFAN-GFCCVEGCSA-N 2 1 239.388 1.617 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000252980589 135118337 /nfs/dbraw/zinc/11/83/37/135118337.db2.gz NCWKGMQEBPJAIB-VXGBXAGGSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000252980588 135118340 /nfs/dbraw/zinc/11/83/40/135118340.db2.gz NCWKGMQEBPJAIB-NWDGAFQWSA-N 2 1 210.365 1.964 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C1CCC(C)(C)CC1 ZINC000087287469 135122236 /nfs/dbraw/zinc/12/22/36/135122236.db2.gz RDSUXUCKZSPXJR-UHFFFAOYSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(C)(C)O ZINC000253165758 135123010 /nfs/dbraw/zinc/12/30/10/135123010.db2.gz ZLOVZKQVJMYLKU-GHMZBOCLSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@]1(F)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000258105603 135132008 /nfs/dbraw/zinc/13/20/08/135132008.db2.gz OGRLXTMWNVSTPP-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP C[C@]1(F)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000258105603 135132010 /nfs/dbraw/zinc/13/20/10/135132010.db2.gz OGRLXTMWNVSTPP-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP COc1ccccc1CC[N@H+](C)CC(C)(C)[NH3+] ZINC000258782622 135134210 /nfs/dbraw/zinc/13/42/10/135134210.db2.gz INKHTTMACWIWQE-UHFFFAOYSA-N 2 1 236.359 1.907 20 0 BDADMP COc1ccccc1CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000258782622 135134212 /nfs/dbraw/zinc/13/42/12/135134212.db2.gz INKHTTMACWIWQE-UHFFFAOYSA-N 2 1 236.359 1.907 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257742533 135142042 /nfs/dbraw/zinc/14/20/42/135142042.db2.gz ZDPRFWMOISJCFQ-CQSZACIVSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257742533 135142043 /nfs/dbraw/zinc/14/20/43/135142043.db2.gz ZDPRFWMOISJCFQ-CQSZACIVSA-N 2 1 248.374 1.304 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCc1scnc1C ZINC000087472718 135142122 /nfs/dbraw/zinc/14/21/22/135142122.db2.gz PMFHOBOCMVZFCH-UHFFFAOYSA-N 2 1 227.377 1.535 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOc1ccccc1 ZINC000087472695 135142429 /nfs/dbraw/zinc/14/24/29/135142429.db2.gz VBSLJOCXVHEYNG-UHFFFAOYSA-N 2 1 222.332 1.607 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOc1ccccc1 ZINC000087472695 135142431 /nfs/dbraw/zinc/14/24/31/135142431.db2.gz VBSLJOCXVHEYNG-UHFFFAOYSA-N 2 1 222.332 1.607 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1c1cc[nH+]cc1Cl ZINC000261527575 135152089 /nfs/dbraw/zinc/15/20/89/135152089.db2.gz CYFWSGDQSDAQPW-VXNVDRBHSA-N 2 1 211.696 1.661 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261530137 135157106 /nfs/dbraw/zinc/15/71/06/135157106.db2.gz CBVLBBYWTZOBLK-TUAOUCFPSA-N 2 1 228.405 1.799 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@H]1CCC[NH2+]CC1 ZINC000261533034 135163946 /nfs/dbraw/zinc/16/39/46/135163946.db2.gz GCQKIHNQGSZSPC-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@]1(C[N@H+]2CCCC3(CC3)C2)CC[NH2+]C1 ZINC000261532873 135163985 /nfs/dbraw/zinc/16/39/85/135163985.db2.gz ANZZJBGIUMWINI-GFCCVEGCSA-N 2 1 208.349 1.862 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000261533550 135164831 /nfs/dbraw/zinc/16/48/31/135164831.db2.gz KWTZYGLJKNMUHH-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCC2)CCO1 ZINC000261533550 135164832 /nfs/dbraw/zinc/16/48/32/135164832.db2.gz KWTZYGLJKNMUHH-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)CN(Cc1noc(C[NH3+])n1)C1CC1 ZINC000261533702 135165596 /nfs/dbraw/zinc/16/55/96/135165596.db2.gz KOKPETJESDBFME-UHFFFAOYSA-N 2 1 224.308 1.149 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(C)C ZINC000261534963 135168601 /nfs/dbraw/zinc/16/86/01/135168601.db2.gz UXIVBGHEQRTYRI-GRYCIOLGSA-N 2 1 226.364 1.532 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261536641 135172267 /nfs/dbraw/zinc/17/22/67/135172267.db2.gz SHXUNTUVIQCHBC-TUAOUCFPSA-N 2 1 226.389 1.566 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261536641 135172268 /nfs/dbraw/zinc/17/22/68/135172268.db2.gz SHXUNTUVIQCHBC-TUAOUCFPSA-N 2 1 226.389 1.566 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC000261540663 135179864 /nfs/dbraw/zinc/17/98/64/135179864.db2.gz GZPYEVHOCPTPKL-MCIONIFRSA-N 2 1 237.391 1.155 20 0 BDADMP CCc1cc(N(C)CC[NH2+]C)nc(C)[nH+]1 ZINC000084081975 135180857 /nfs/dbraw/zinc/18/08/57/135180857.db2.gz DZODXZFCWJXCHX-UHFFFAOYSA-N 2 1 208.309 1.003 20 0 BDADMP C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000261542531 135183291 /nfs/dbraw/zinc/18/32/91/135183291.db2.gz PHDPZPNPMHNUOS-DYEKYZERSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000261542531 135183292 /nfs/dbraw/zinc/18/32/92/135183292.db2.gz PHDPZPNPMHNUOS-DYEKYZERSA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@@H]1CCCCC[N@@H+]1Cc1noc(CN)n1 ZINC000261543577 135184780 /nfs/dbraw/zinc/18/47/80/135184780.db2.gz URVNKJZUVBLLKT-SNVBAGLBSA-N 2 1 238.335 1.683 20 0 BDADMP CC[C@@H]1CCCCC[N@H+]1Cc1noc(CN)n1 ZINC000261543577 135184781 /nfs/dbraw/zinc/18/47/81/135184781.db2.gz URVNKJZUVBLLKT-SNVBAGLBSA-N 2 1 238.335 1.683 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC(C)(C)COC ZINC000261549703 135188237 /nfs/dbraw/zinc/18/82/37/135188237.db2.gz PBPLSBBBAUSJLG-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC(C)(C)COC ZINC000261549703 135188238 /nfs/dbraw/zinc/18/82/38/135188238.db2.gz PBPLSBBBAUSJLG-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1ncsc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000084149507 135188540 /nfs/dbraw/zinc/18/85/40/135188540.db2.gz ZQGYPLSZBBTUPL-SNVBAGLBSA-N 2 1 225.361 1.622 20 0 BDADMP Cc1ncsc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000084149507 135188541 /nfs/dbraw/zinc/18/85/41/135188541.db2.gz ZQGYPLSZBBTUPL-SNVBAGLBSA-N 2 1 225.361 1.622 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000261551041 135189983 /nfs/dbraw/zinc/18/99/83/135189983.db2.gz PZWIUMPATRHCCO-JQWIXIFHSA-N 2 1 212.337 1.082 20 0 BDADMP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216810 135192710 /nfs/dbraw/zinc/19/27/10/135192710.db2.gz XMNDVUQDLMJNFB-GHMZBOCLSA-N 2 1 222.336 1.027 20 0 BDADMP CCc1nc(N(C)CC(C)(C)C[NH3+])cc(C)[nH+]1 ZINC000261556118 135196277 /nfs/dbraw/zinc/19/62/77/135196277.db2.gz QIDXNXUABRGNJM-UHFFFAOYSA-N 2 1 236.363 1.769 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000261556403 135196338 /nfs/dbraw/zinc/19/63/38/135196338.db2.gz QNZYYPSDVMVFGV-STQMWFEESA-N 2 1 236.363 1.108 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261561525 135202881 /nfs/dbraw/zinc/20/28/81/135202881.db2.gz ARMKKNRHKHUULT-GFCCVEGCSA-N 2 1 237.734 1.925 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261561239 135203032 /nfs/dbraw/zinc/20/30/32/135203032.db2.gz ANEJQRARWDNMBO-RXGFPQBGSA-N 2 1 208.349 1.702 20 0 BDADMP Cc1cccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH+]1 ZINC000261569505 135210885 /nfs/dbraw/zinc/21/08/85/135210885.db2.gz GIQGLBSFKMYXQX-NEPJUHHUSA-N 2 1 217.316 1.578 20 0 BDADMP CCc1nc(N2CCC[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000261572445 135214585 /nfs/dbraw/zinc/21/45/85/135214585.db2.gz IEYUVXGWKBECIH-SNVBAGLBSA-N 2 1 220.320 1.275 20 0 BDADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261578609 135220134 /nfs/dbraw/zinc/22/01/34/135220134.db2.gz LUCVCGAZLABNHP-VXGBXAGGSA-N 2 1 217.316 1.123 20 0 BDADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261578609 135220135 /nfs/dbraw/zinc/22/01/35/135220135.db2.gz LUCVCGAZLABNHP-VXGBXAGGSA-N 2 1 217.316 1.123 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)s1 ZINC000261580656 135221589 /nfs/dbraw/zinc/22/15/89/135221589.db2.gz NBHGJOSOPNOTOP-LLVKDONJSA-N 2 1 239.388 1.929 20 0 BDADMP Nc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000261582771 135223158 /nfs/dbraw/zinc/22/31/58/135223158.db2.gz OQYQWTNCBYCTBV-UHFFFAOYSA-N 2 1 205.305 1.240 20 0 BDADMP CCC1(C[NH2+][C@H]2CCC[NH2+]C2)CCOCC1 ZINC000261587996 135229002 /nfs/dbraw/zinc/22/90/02/135229002.db2.gz SCPLQBHOLVSXRX-LBPRGKRZSA-N 2 1 226.364 1.535 20 0 BDADMP C[C@@H](c1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000261589056 135230060 /nfs/dbraw/zinc/23/00/60/135230060.db2.gz SWASEGDTZALRMG-LBPRGKRZSA-N 2 1 222.332 1.655 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261591763 135232915 /nfs/dbraw/zinc/23/29/15/135232915.db2.gz VOURXFQZOGCXSH-STQMWFEESA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261547805 135241111 /nfs/dbraw/zinc/24/11/11/135241111.db2.gz IOQJGLFXHJDNTG-MJBXVCDLSA-N 2 1 240.391 1.611 20 0 BDADMP CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261731074 135248168 /nfs/dbraw/zinc/24/81/68/135248168.db2.gz HECVDVHFVAHRKL-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261783927 135253068 /nfs/dbraw/zinc/25/30/68/135253068.db2.gz FPVYMDNQWAXWGX-ZDUSSCGKSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261783927 135253070 /nfs/dbraw/zinc/25/30/70/135253070.db2.gz FPVYMDNQWAXWGX-ZDUSSCGKSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000261805575 135254526 /nfs/dbraw/zinc/25/45/26/135254526.db2.gz HHFRPOJTTLPIPF-WDEREUQCSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000261805575 135254527 /nfs/dbraw/zinc/25/45/27/135254527.db2.gz HHFRPOJTTLPIPF-WDEREUQCSA-N 2 1 228.380 1.453 20 0 BDADMP CCOC(=O)C[C@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261953966 135266510 /nfs/dbraw/zinc/26/65/10/135266510.db2.gz GKFAVNJUEIDVRW-AAEUAGOBSA-N 2 1 242.363 1.260 20 0 BDADMP C[NH2+]C1CC[NH+](CCC(C)(C)C(=O)OC)CC1 ZINC000261962641 135266839 /nfs/dbraw/zinc/26/68/39/135266839.db2.gz PKSWWSGYYVSFNF-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP COCC(C)(C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261977799 135268808 /nfs/dbraw/zinc/26/88/08/135268808.db2.gz IWHIZNYCCSNPEM-UHFFFAOYSA-N 2 1 240.391 1.735 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000262289951 135290612 /nfs/dbraw/zinc/29/06/12/135290612.db2.gz VXBBHFHXIFRLMU-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000342598965 135301161 /nfs/dbraw/zinc/30/11/61/135301161.db2.gz QRLYMCPNOPCIDD-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000342598965 135301162 /nfs/dbraw/zinc/30/11/62/135301162.db2.gz QRLYMCPNOPCIDD-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000342694932 135306345 /nfs/dbraw/zinc/30/63/45/135306345.db2.gz GDFWIWIEAHRHDY-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CCSCC[NH+](C)C ZINC000342670214 135309125 /nfs/dbraw/zinc/30/91/25/135309125.db2.gz YVQHYEBRNOALLB-UHFFFAOYSA-N 2 1 213.350 1.486 20 0 BDADMP c1ccc(SCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000079618525 135341907 /nfs/dbraw/zinc/34/19/07/135341907.db2.gz NHVYVLQDKUXIHZ-BETUJISGSA-N 2 1 248.395 1.930 20 0 BDADMP Cc1nc(C)c(C[NH2+]CCC[NH+](C)C)s1 ZINC000076865082 135391454 /nfs/dbraw/zinc/39/14/54/135391454.db2.gz PQUAPTFRYFLUSD-UHFFFAOYSA-N 2 1 227.377 1.801 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000348167239 136041991 /nfs/dbraw/zinc/04/19/91/136041991.db2.gz OXVFYXZQFRTULQ-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP COCC(C)(C)C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000348167239 136041992 /nfs/dbraw/zinc/04/19/92/136041992.db2.gz OXVFYXZQFRTULQ-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC(C)(C)[NH3+] ZINC000335597949 136105455 /nfs/dbraw/zinc/10/54/55/136105455.db2.gz JEVXSIHFBXBSNE-JTQLQIEISA-N 2 1 222.336 1.124 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335566773 136107815 /nfs/dbraw/zinc/10/78/15/136107815.db2.gz WCVHDCDOYHHVTC-QWHCGFSZSA-N 3 1 239.407 1.306 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000335569828 136109519 /nfs/dbraw/zinc/10/95/19/136109519.db2.gz ICJJXQLFWXAKCP-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCCO3)C2)C1 ZINC000335569828 136109520 /nfs/dbraw/zinc/10/95/20/136109520.db2.gz ICJJXQLFWXAKCP-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCCO3)C2)C1 ZINC000335569828 136109521 /nfs/dbraw/zinc/10/95/21/136109521.db2.gz ICJJXQLFWXAKCP-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC3CC3)C2)C1 ZINC000335571551 136109656 /nfs/dbraw/zinc/10/96/56/136109656.db2.gz FZICLEWVXGDWKY-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC000335571551 136109657 /nfs/dbraw/zinc/10/96/57/136109657.db2.gz FZICLEWVXGDWKY-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000381577354 397761206 /nfs/dbraw/zinc/76/12/06/397761206.db2.gz CRQBZJBJIJHEAT-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000381577354 397761208 /nfs/dbraw/zinc/76/12/08/397761208.db2.gz CRQBZJBJIJHEAT-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[C@@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381604050 397762893 /nfs/dbraw/zinc/76/28/93/397762893.db2.gz PDEDGMRZRFXHEJ-WDEREUQCSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CC[NH2+]C1 ZINC000647514047 397771569 /nfs/dbraw/zinc/77/15/69/397771569.db2.gz DHNLECZQGVWBJP-GXTWGEPZSA-N 2 1 248.374 1.589 20 0 BDADMP c1cc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647514035 397771914 /nfs/dbraw/zinc/77/19/14/397771914.db2.gz AYZWPHMQMHBVCX-CHWSQXEVSA-N 2 1 248.374 1.589 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000449078311 397951446 /nfs/dbraw/zinc/95/14/46/397951446.db2.gz LVYSGETTXODVEH-RYUDHWBXSA-N 2 1 246.420 1.296 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1cn[nH]c1 ZINC000390533093 397895311 /nfs/dbraw/zinc/89/53/11/397895311.db2.gz NCYQZNGMKYAYLV-CMPLNLGQSA-N 2 1 222.336 1.154 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1cn[nH]c1 ZINC000390533093 397895315 /nfs/dbraw/zinc/89/53/15/397895315.db2.gz NCYQZNGMKYAYLV-CMPLNLGQSA-N 2 1 222.336 1.154 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156882661 397926505 /nfs/dbraw/zinc/92/65/05/397926505.db2.gz CISAFUFOWDBYMA-NNYUYHANSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156882661 397926511 /nfs/dbraw/zinc/92/65/11/397926511.db2.gz CISAFUFOWDBYMA-NNYUYHANSA-N 2 1 214.353 1.482 20 0 BDADMP COc1ccncc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000379764020 397991051 /nfs/dbraw/zinc/99/10/51/397991051.db2.gz GLMWZTWRGBXCFG-GHMZBOCLSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000379764020 397991054 /nfs/dbraw/zinc/99/10/54/397991054.db2.gz GLMWZTWRGBXCFG-GHMZBOCLSA-N 2 1 235.331 1.259 20 0 BDADMP CC[C@@H]1C[N@@H+](CC)CCN1C[C@H]1CCC[NH+]1C ZINC000649622767 398007105 /nfs/dbraw/zinc/00/71/05/398007105.db2.gz UFMBOEIMQBBJAV-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@@H]1C[NH+](CC)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649622767 398007107 /nfs/dbraw/zinc/00/71/07/398007107.db2.gz UFMBOEIMQBBJAV-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@@H]1C[NH+](CC)CCN1C[C@H]1CCC[N@H+]1C ZINC000649622767 398007111 /nfs/dbraw/zinc/00/71/11/398007111.db2.gz UFMBOEIMQBBJAV-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000650191031 397974673 /nfs/dbraw/zinc/97/46/73/397974673.db2.gz TWRUSPXVIWZCCO-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCCOC1 ZINC000649755865 398087502 /nfs/dbraw/zinc/08/75/02/398087502.db2.gz ZTPSSDOQJDDDEZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCOC1 ZINC000649755865 398087504 /nfs/dbraw/zinc/08/75/04/398087504.db2.gz ZTPSSDOQJDDDEZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000649755865 398087507 /nfs/dbraw/zinc/08/75/07/398087507.db2.gz ZTPSSDOQJDDDEZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414831552 398050807 /nfs/dbraw/zinc/05/08/07/398050807.db2.gz CLULFWRCDSJLAF-MNOVXSKESA-N 2 1 202.342 1.374 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000566123374 398097431 /nfs/dbraw/zinc/09/74/31/398097431.db2.gz IPYVKQNFIPPSSF-JTQLQIEISA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000566123374 398097435 /nfs/dbraw/zinc/09/74/35/398097435.db2.gz IPYVKQNFIPPSSF-JTQLQIEISA-N 2 1 248.317 1.076 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090725065 398111553 /nfs/dbraw/zinc/11/15/53/398111553.db2.gz NMKKRVILNCXHMV-IJLUTSLNSA-N 2 1 228.405 1.954 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000397914910 398124645 /nfs/dbraw/zinc/12/46/45/398124645.db2.gz JPRGHKLWYNCJAK-ZJUUUORDSA-N 2 1 209.293 1.343 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000108368987 167095648 /nfs/dbraw/zinc/09/56/48/167095648.db2.gz PUYTUFCHSZZRJT-UHFFFAOYSA-N 2 1 228.380 1.874 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCCC1 ZINC000662275640 487529160 /nfs/dbraw/zinc/52/91/60/487529160.db2.gz DEDNEORGAUPFNP-WCFLWFBJSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCCC1 ZINC000662275640 487529166 /nfs/dbraw/zinc/52/91/66/487529166.db2.gz DEDNEORGAUPFNP-WCFLWFBJSA-N 2 1 226.364 1.613 20 0 BDADMP C[N@H+]1CCCC12CCN([C@@H]1CCCOC1)CC2 ZINC000680076720 487529506 /nfs/dbraw/zinc/52/95/06/487529506.db2.gz XBBAMNUJUCIFRT-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCCOC1)CC2 ZINC000680076720 487529512 /nfs/dbraw/zinc/52/95/12/487529512.db2.gz XBBAMNUJUCIFRT-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCCOC1)CC2 ZINC000680076720 487529514 /nfs/dbraw/zinc/52/95/14/487529514.db2.gz XBBAMNUJUCIFRT-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(C)(C)C)CCO1 ZINC000169121718 487559804 /nfs/dbraw/zinc/55/98/04/487559804.db2.gz SZDNQBSAPWAACK-GHMZBOCLSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(C)(C)C)CCO1 ZINC000169121718 487559809 /nfs/dbraw/zinc/55/98/09/487559809.db2.gz SZDNQBSAPWAACK-GHMZBOCLSA-N 2 1 214.353 1.471 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532291115 487602036 /nfs/dbraw/zinc/60/20/36/487602036.db2.gz HYHXUJUGUIIRMQ-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1C ZINC000178310585 487609243 /nfs/dbraw/zinc/60/92/43/487609243.db2.gz HQWIWPUHCWDLNV-MLGHIDQZSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1C ZINC000178310585 487609238 /nfs/dbraw/zinc/60/92/38/487609238.db2.gz HQWIWPUHCWDLNV-MLGHIDQZSA-N 2 1 224.348 1.379 20 0 BDADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCF)CC1 ZINC000660696623 409565132 /nfs/dbraw/zinc/56/51/32/409565132.db2.gz NSNXEZVSDWDHSP-UHFFFAOYSA-N 2 1 246.370 1.419 20 0 BDADMP C1=CCC(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662267422 409570661 /nfs/dbraw/zinc/57/06/61/409570661.db2.gz VFGLXLDOITXOPN-ZDUSSCGKSA-N 2 1 206.333 1.638 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662245746 409538105 /nfs/dbraw/zinc/53/81/05/409538105.db2.gz OGUJSTYOFSLLLO-GXSJLCMTSA-N 2 1 223.320 1.542 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662245746 409538111 /nfs/dbraw/zinc/53/81/11/409538111.db2.gz OGUJSTYOFSLLLO-GXSJLCMTSA-N 2 1 223.320 1.542 20 0 BDADMP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC[C@H]1[NH3+] ZINC000662244407 409538904 /nfs/dbraw/zinc/53/89/04/409538904.db2.gz NWKSBUAGGPOBJY-OPRDCNLKSA-N 2 1 234.290 1.080 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CC[C@H]1[NH3+] ZINC000662244407 409538913 /nfs/dbraw/zinc/53/89/13/409538913.db2.gz NWKSBUAGGPOBJY-OPRDCNLKSA-N 2 1 234.290 1.080 20 0 BDADMP CC[N@@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254721 409551205 /nfs/dbraw/zinc/55/12/05/409551205.db2.gz KCNGUUUKCPSGES-LBPRGKRZSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294139 409624881 /nfs/dbraw/zinc/62/48/81/409624881.db2.gz PJUSTDWZXSSFKW-CQSZACIVSA-N 3 1 239.407 1.308 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294136 409624913 /nfs/dbraw/zinc/62/49/13/409624913.db2.gz PJUSTDWZXSSFKW-AWEZNQCLSA-N 3 1 239.407 1.308 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662270691 409575276 /nfs/dbraw/zinc/57/52/76/409575276.db2.gz CAUWONBMRWMYCK-WDEREUQCSA-N 2 1 248.317 1.471 20 0 BDADMP C[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000662276525 409589017 /nfs/dbraw/zinc/58/90/17/409589017.db2.gz JTKPAWSVUGXLLS-KBPBESRZSA-N 2 1 248.370 1.358 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000650706317 410337687 /nfs/dbraw/zinc/33/76/87/410337687.db2.gz IPZKWXJLCSRWPA-MJBXVCDLSA-N 2 1 238.375 1.615 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000650714778 410348195 /nfs/dbraw/zinc/34/81/95/410348195.db2.gz BNXQJFWYKVDETP-GXTWGEPZSA-N 2 1 242.407 1.700 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccn(C)n1 ZINC000650719269 410356419 /nfs/dbraw/zinc/35/64/19/410356419.db2.gz JVMLQDOPXYSGOJ-UHFFFAOYSA-N 2 1 244.342 1.429 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+]CC(C)(C)[NH3+] ZINC000650719696 410358767 /nfs/dbraw/zinc/35/87/67/410358767.db2.gz ZNQCWLPUNJMXFW-UHFFFAOYSA-N 3 1 221.348 1.233 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)COCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000650761069 410409203 /nfs/dbraw/zinc/40/92/03/410409203.db2.gz RKUGHEWZUGOGDH-LOWVWBTDSA-N 2 1 226.364 1.532 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761551 410410343 /nfs/dbraw/zinc/41/03/43/410410343.db2.gz CCTNHXWCBYNPSN-KBPBESRZSA-N 2 1 239.407 1.626 20 0 BDADMP CC[C@H](COCC1CC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665236585 410727426 /nfs/dbraw/zinc/72/74/26/410727426.db2.gz QAIIAMPTSHSFSM-MRVWCRGKSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H](COCC1CC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665236584 410727486 /nfs/dbraw/zinc/72/74/86/410727486.db2.gz QAIIAMPTSHSFSM-KWCYVHTRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000665271721 410741133 /nfs/dbraw/zinc/74/11/33/410741133.db2.gz RDPZPEVHPZQCRH-LKTVYLICSA-N 2 1 245.370 1.986 20 0 BDADMP C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)[C@H]1CCC[NH2+]1 ZINC000665271725 410741224 /nfs/dbraw/zinc/74/12/24/410741224.db2.gz RDPZPEVHPZQCRH-VQISRLSMSA-N 2 1 245.370 1.986 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000201476129 487618536 /nfs/dbraw/zinc/61/85/36/487618536.db2.gz WFIUGTBWOHQMIH-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309296635 410745860 /nfs/dbraw/zinc/74/58/60/410745860.db2.gz XFFIJJGJVUZHIY-AVGNSLFASA-N 2 1 226.364 1.472 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](COC)C1CCCC1 ZINC000665298580 410831123 /nfs/dbraw/zinc/83/11/23/410831123.db2.gz YMQZGIUNQKEKJF-CMPLNLGQSA-N 2 1 214.353 1.389 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566902 167216095 /nfs/dbraw/zinc/21/60/95/167216095.db2.gz BNWRVRDTIHVREJ-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604033 167230123 /nfs/dbraw/zinc/23/01/23/167230123.db2.gz QSMJIPLHWYPHOZ-PBWFPOADSA-N 2 1 240.391 1.968 20 0 BDADMP CC(C)OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367604033 167230125 /nfs/dbraw/zinc/23/01/25/167230125.db2.gz QSMJIPLHWYPHOZ-PBWFPOADSA-N 2 1 240.391 1.968 20 0 BDADMP CC(C)OCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367604033 167230126 /nfs/dbraw/zinc/23/01/26/167230126.db2.gz QSMJIPLHWYPHOZ-PBWFPOADSA-N 2 1 240.391 1.968 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336657368 167236121 /nfs/dbraw/zinc/23/61/21/167236121.db2.gz IHMOZBQXFCZGEV-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336657368 167236122 /nfs/dbraw/zinc/23/61/22/167236122.db2.gz IHMOZBQXFCZGEV-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)OCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336657368 167236123 /nfs/dbraw/zinc/23/61/23/167236123.db2.gz IHMOZBQXFCZGEV-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)CCC(C)(C)C)C1CC1 ZINC000399668038 411056167 /nfs/dbraw/zinc/05/61/67/411056167.db2.gz KDZZZPVUWKYZBB-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)CCC(C)(C)C)C1CC1 ZINC000399668038 411056172 /nfs/dbraw/zinc/05/61/72/411056172.db2.gz KDZZZPVUWKYZBB-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CCC(C)(C)C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000399668038 411056178 /nfs/dbraw/zinc/05/61/78/411056178.db2.gz KDZZZPVUWKYZBB-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](CCC(C)(C)C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000399668038 411056181 /nfs/dbraw/zinc/05/61/81/411056181.db2.gz KDZZZPVUWKYZBB-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309322483 411029500 /nfs/dbraw/zinc/02/95/00/411029500.db2.gz HFDRYQUOZOGSAF-CHWSQXEVSA-N 3 1 229.412 1.824 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCC(C)(C)C ZINC000301020361 411129647 /nfs/dbraw/zinc/12/96/47/411129647.db2.gz JYOKPNDHULTNQM-UHFFFAOYSA-N 2 1 202.342 1.330 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCOC1 ZINC000651865717 411147599 /nfs/dbraw/zinc/14/75/99/411147599.db2.gz FQQFBDAOBAEHHE-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000400675940 411158758 /nfs/dbraw/zinc/15/87/58/411158758.db2.gz UZWHSHJJBILITO-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655947681 411161222 /nfs/dbraw/zinc/16/12/22/411161222.db2.gz VKAHHRYGSNNJKF-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CCn1ccnc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110651124 411114001 /nfs/dbraw/zinc/11/40/01/411114001.db2.gz QKPHNCRZYSGVDD-NSHDSACASA-N 2 1 236.363 1.462 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ncn1 ZINC000656198149 411203142 /nfs/dbraw/zinc/20/31/42/411203142.db2.gz HTTCMKXWFOQURJ-MNOVXSKESA-N 2 1 220.320 1.145 20 0 BDADMP COc1c(C)cccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000656201782 411207723 /nfs/dbraw/zinc/20/77/23/411207723.db2.gz YYPUCKNINRQRCF-LLVKDONJSA-N 2 1 234.343 1.701 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(C[C@H]3CC[NH2+]C3)c2C[C@H]1C ZINC000310411538 411236823 /nfs/dbraw/zinc/23/68/23/411236823.db2.gz LWUANEVCASQWAA-UTUOFQBUSA-N 2 1 233.359 1.863 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CS1 ZINC000423193715 411237294 /nfs/dbraw/zinc/23/72/94/411237294.db2.gz WAPVBHUOJWNMPU-ZRUFSTJUSA-N 2 1 214.378 1.468 20 0 BDADMP CCC[C@H](Cc1ccccc1)[NH2+]CC[NH3+] ZINC000423193490 411237642 /nfs/dbraw/zinc/23/76/42/411237642.db2.gz WOPAHXDUKDFLAG-CYBMUJFWSA-N 2 1 206.333 1.946 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccnc2C)CC[C@@H]1[NH3+] ZINC000310516696 411239408 /nfs/dbraw/zinc/23/94/08/411239408.db2.gz RVPUPYLGXVEBJG-JSGCOSHPSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@H](CN[C@@H]1CCCn2ccnc21)[N@@H+](C)C1CC1 ZINC000655714379 411268274 /nfs/dbraw/zinc/26/82/74/411268274.db2.gz BUKOOBFPKAJOOJ-DGCLKSJQSA-N 2 1 248.374 1.790 20 0 BDADMP c1cc2c(s1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000051889891 411285182 /nfs/dbraw/zinc/28/51/82/411285182.db2.gz CLEKKYQILDFCPT-SNVBAGLBSA-N 2 1 222.357 1.716 20 0 BDADMP c1cc2c(s1)CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000051889891 411285185 /nfs/dbraw/zinc/28/51/85/411285185.db2.gz CLEKKYQILDFCPT-SNVBAGLBSA-N 2 1 222.357 1.716 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000658190289 411285612 /nfs/dbraw/zinc/28/56/12/411285612.db2.gz QAKLUXQLXGHQIE-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H](NCC[N@@H+](C)C2CCCC2)C1 ZINC000401737947 411305298 /nfs/dbraw/zinc/30/52/98/411305298.db2.gz PZLUNBXFNOFSEQ-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](NCC[N@@H+](C)C2CCCC2)C1 ZINC000401737948 411305682 /nfs/dbraw/zinc/30/56/82/411305682.db2.gz PZLUNBXFNOFSEQ-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)CC[N@@H+]1C ZINC000658256206 411316754 /nfs/dbraw/zinc/31/67/54/411316754.db2.gz UOFATVGQLYWFFZ-LPWJVIDDSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)CC[N@H+]1C ZINC000658256206 411316758 /nfs/dbraw/zinc/31/67/58/411316758.db2.gz UOFATVGQLYWFFZ-LPWJVIDDSA-N 2 1 238.375 1.362 20 0 BDADMP CNCc1cn(-c2ccc3[nH]c(C)nc3c2)nn1 ZINC000656439489 411255978 /nfs/dbraw/zinc/25/59/78/411255978.db2.gz QJNDKMMNEAQNSU-UHFFFAOYSA-N 2 1 242.286 1.171 20 0 BDADMP c1c([C@H]2CCC[NH2+]C2)nnn1-c1cc[nH+]cc1 ZINC000656441075 411259178 /nfs/dbraw/zinc/25/91/78/411259178.db2.gz RXQOYGASVCIATG-JTQLQIEISA-N 2 1 229.287 1.129 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(C)(C)N)CC[NH2+]1 ZINC000656784630 411361484 /nfs/dbraw/zinc/36/14/84/411361484.db2.gz FZVZDASOAUKABQ-MNOVXSKESA-N 3 1 213.369 1.044 20 0 BDADMP C[C@@H]1C[C@@H](CN(C)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000656784630 411361488 /nfs/dbraw/zinc/36/14/88/411361488.db2.gz FZVZDASOAUKABQ-MNOVXSKESA-N 3 1 213.369 1.044 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783620 411361752 /nfs/dbraw/zinc/36/17/52/411361752.db2.gz RJTNOCWNBPUJHJ-NWDGAFQWSA-N 2 1 219.332 1.527 20 0 BDADMP c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)co1 ZINC000656783978 411362131 /nfs/dbraw/zinc/36/21/31/411362131.db2.gz WYCHXMSAJVJQIG-CYBMUJFWSA-N 2 1 249.358 1.886 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)CC(C)(C)[NH3+] ZINC000656785678 411364174 /nfs/dbraw/zinc/36/41/74/411364174.db2.gz PNZYRKSAKCBLGH-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n[nH]1 ZINC000656786967 411366383 /nfs/dbraw/zinc/36/63/83/411366383.db2.gz YKANMMRKTBKMLN-CYBMUJFWSA-N 2 1 248.374 1.621 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3COC[C@]3(C)C2)CC[NH2+]1 ZINC000656791489 411370791 /nfs/dbraw/zinc/37/07/91/411370791.db2.gz HRRUAOJCMURFOV-MQYQWHSLSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000656790801 411371196 /nfs/dbraw/zinc/37/11/96/411371196.db2.gz ARLVBTCZGGQXHP-RFQIPJPRSA-N 2 1 240.391 1.874 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760164 411333910 /nfs/dbraw/zinc/33/39/10/411333910.db2.gz JAAPNBCUQUGANO-OCCSQVGLSA-N 2 1 249.358 1.464 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760164 411333912 /nfs/dbraw/zinc/33/39/12/411333912.db2.gz JAAPNBCUQUGANO-OCCSQVGLSA-N 2 1 249.358 1.464 20 0 BDADMP Cn1cncc1CC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000656715143 411338101 /nfs/dbraw/zinc/33/81/01/411338101.db2.gz VEDPDPKZNQWLMQ-ZDUSSCGKSA-N 2 1 249.358 1.342 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCC(C)CC1 ZINC000303377939 168170776 /nfs/dbraw/zinc/17/07/76/168170776.db2.gz POHMLNWESTXUIU-UHFFFAOYSA-N 2 1 240.395 1.583 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CCOCC2)[C@@H]1CC[NH3+] ZINC000404299987 411390177 /nfs/dbraw/zinc/39/01/77/411390177.db2.gz PRSCZFWEAOYPPG-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(N)nc1 ZINC000118382110 411396307 /nfs/dbraw/zinc/39/63/07/411396307.db2.gz ZTWWDIAPIATLOP-UHFFFAOYSA-N 2 1 236.363 1.485 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccnn2C)[C@H]1CC[NH3+] ZINC000404450930 411397180 /nfs/dbraw/zinc/39/71/80/411397180.db2.gz YPVHEVIDUCALQV-AAEUAGOBSA-N 2 1 236.363 1.369 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404491662 411399387 /nfs/dbraw/zinc/39/93/87/411399387.db2.gz BGEWAIGNIFYKKZ-AGIUHOORSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122326245 411428146 /nfs/dbraw/zinc/42/81/46/411428146.db2.gz RGLYGXPXPRZNHJ-WOPDTQHZSA-N 2 1 219.332 1.812 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CSC2(C)C)CC1 ZINC000306182168 411437050 /nfs/dbraw/zinc/43/70/50/411437050.db2.gz WNTQBQSEEQEKCX-SNVBAGLBSA-N 2 1 214.378 1.564 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC[NH2+]1 ZINC000414738797 411441634 /nfs/dbraw/zinc/44/16/34/411441634.db2.gz OZIVJDRQYZYFRZ-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP FCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655733362 411442244 /nfs/dbraw/zinc/44/22/44/411442244.db2.gz LWXUGEQWLDCMPH-CYBMUJFWSA-N 2 1 244.354 1.579 20 0 BDADMP CCC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405832184 411442732 /nfs/dbraw/zinc/44/27/32/411442732.db2.gz BHRWICXSWOPPTF-YNEHKIRRSA-N 2 1 228.380 1.718 20 0 BDADMP C[NH2+]CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414831443 411449978 /nfs/dbraw/zinc/44/99/78/411449978.db2.gz PKGYNQCKELLOQB-UHFFFAOYSA-N 2 1 224.270 1.917 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657358772 411475888 /nfs/dbraw/zinc/47/58/88/411475888.db2.gz NMJGXNVQEJHPHL-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657358772 411475890 /nfs/dbraw/zinc/47/58/90/411475890.db2.gz NMJGXNVQEJHPHL-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CO1 ZINC000657359449 411476954 /nfs/dbraw/zinc/47/69/54/411476954.db2.gz UUELGMMXDFEWIF-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000415089064 411491669 /nfs/dbraw/zinc/49/16/69/411491669.db2.gz XFSZGWLHNFXAEZ-FRRDWIJNSA-N 2 1 240.391 1.779 20 0 BDADMP C[N@@H+](CCNC[C@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000415089253 411491767 /nfs/dbraw/zinc/49/17/67/411491767.db2.gz YQLOLAAVHZSTAC-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000309032646 169956595 /nfs/dbraw/zinc/95/65/95/169956595.db2.gz FUYUXXYBFRUKMH-NWDGAFQWSA-N 2 1 228.405 1.954 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CO1 ZINC000657427395 411504068 /nfs/dbraw/zinc/50/40/68/411504068.db2.gz MXPKQVXYEYEVGF-STQMWFEESA-N 2 1 224.348 1.405 20 0 BDADMP CC[C@H](C)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000655791802 411514850 /nfs/dbraw/zinc/51/48/50/411514850.db2.gz STDJKXROCFMKTF-LBPRGKRZSA-N 2 1 228.380 1.469 20 0 BDADMP C[NH+](C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000655807937 411521076 /nfs/dbraw/zinc/52/10/76/411521076.db2.gz XFFRGGAXFCIMLE-BJHJDKERSA-N 3 1 225.380 1.010 20 0 BDADMP COCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000655815781 411524545 /nfs/dbraw/zinc/52/45/45/411524545.db2.gz IDVMUGQUDWFDPO-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000655818770 411525288 /nfs/dbraw/zinc/52/52/88/411525288.db2.gz UEPODBGEFWIPFY-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000037644392 170008244 /nfs/dbraw/zinc/00/82/44/170008244.db2.gz VZGIDZOQYIOGFU-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000037644392 170008245 /nfs/dbraw/zinc/00/82/45/170008245.db2.gz VZGIDZOQYIOGFU-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269131 170008341 /nfs/dbraw/zinc/00/83/41/170008341.db2.gz ORCAHGSLGJRTPG-STQMWFEESA-N 2 1 224.348 1.611 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCO)[C@@H](C)C1 ZINC000304429105 170009018 /nfs/dbraw/zinc/00/90/18/170009018.db2.gz MBOCNAUSLMOGIJ-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCO)[C@@H](C)C1 ZINC000304429105 170009020 /nfs/dbraw/zinc/00/90/20/170009020.db2.gz MBOCNAUSLMOGIJ-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH3+])C[C@H]1C ZINC000309786300 170009114 /nfs/dbraw/zinc/00/91/14/170009114.db2.gz ODXBFKNCVVQDMC-VXGBXAGGSA-N 2 1 213.369 1.140 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCOCC2)[C@H](C)C1 ZINC000119011240 170011037 /nfs/dbraw/zinc/01/10/37/170011037.db2.gz KCKGXXFGOCIMOI-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)O)[C@H](C)C1 ZINC000336776243 170012000 /nfs/dbraw/zinc/01/20/00/170012000.db2.gz FFWPGSMREZODJT-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000037484252 170016332 /nfs/dbraw/zinc/01/63/32/170016332.db2.gz MFEMORFQDAJUPX-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000037484252 170016333 /nfs/dbraw/zinc/01/63/33/170016333.db2.gz MFEMORFQDAJUPX-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250336064 170017405 /nfs/dbraw/zinc/01/74/05/170017405.db2.gz PCDXNGMZHSFLMM-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250336064 170017406 /nfs/dbraw/zinc/01/74/06/170017406.db2.gz PCDXNGMZHSFLMM-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250336064 170017407 /nfs/dbraw/zinc/01/74/07/170017407.db2.gz PCDXNGMZHSFLMM-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCOC2)C[C@@H]1C ZINC000336692756 170019910 /nfs/dbraw/zinc/01/99/10/170019910.db2.gz IRVYKIJNRODLQF-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCOC2)C[C@@H]1C ZINC000336692756 170019911 /nfs/dbraw/zinc/01/99/11/170019911.db2.gz IRVYKIJNRODLQF-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCOC2)C[C@@H]1C ZINC000336692756 170019912 /nfs/dbraw/zinc/01/99/12/170019912.db2.gz IRVYKIJNRODLQF-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(O)(CC)CC)[C@@H](C)C1 ZINC000305103752 170020792 /nfs/dbraw/zinc/02/07/92/170020792.db2.gz CFGCAGZOQYCFBP-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000358024636 170021120 /nfs/dbraw/zinc/02/11/20/170021120.db2.gz RWGIJINRHXGBFQ-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)[C@H](C)C1 ZINC000305099267 170021258 /nfs/dbraw/zinc/02/12/58/170021258.db2.gz AJKVUIMFBRTDHP-HZSPNIEDSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCCO)[C@@H](C)C1 ZINC000352785129 170022312 /nfs/dbraw/zinc/02/23/12/170022312.db2.gz ZIWIHXREJZKRBL-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCCO)[C@H](C)C1 ZINC000352785130 170022579 /nfs/dbraw/zinc/02/25/79/170022579.db2.gz ZIWIHXREJZKRBL-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP CCNCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000238237499 170116359 /nfs/dbraw/zinc/11/63/59/170116359.db2.gz CVCOAOAZIRYYHV-CQSZACIVSA-N 2 1 218.344 1.743 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000238237499 170116362 /nfs/dbraw/zinc/11/63/62/170116362.db2.gz CVCOAOAZIRYYHV-CQSZACIVSA-N 2 1 218.344 1.743 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H](C)C1 ZINC000660310612 411567349 /nfs/dbraw/zinc/56/73/49/411567349.db2.gz OUGNRKKVIPUIBY-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000660310612 411567350 /nfs/dbraw/zinc/56/73/50/411567350.db2.gz OUGNRKKVIPUIBY-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000660310612 411567351 /nfs/dbraw/zinc/56/73/51/411567351.db2.gz OUGNRKKVIPUIBY-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189920 170247165 /nfs/dbraw/zinc/24/71/65/170247165.db2.gz PYPRNJHPAYUUOB-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP CCOCC(C)(C)[NH2+]CCc1c[nH+]cn1C ZINC000298168123 170355216 /nfs/dbraw/zinc/35/52/16/170355216.db2.gz TYCXARYFGVNAAP-UHFFFAOYSA-N 2 1 225.336 1.367 20 0 BDADMP CCOCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000119844496 170371158 /nfs/dbraw/zinc/37/11/58/170371158.db2.gz YXPAFBTWHBZVDT-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP CCOCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000119844496 170371159 /nfs/dbraw/zinc/37/11/59/170371159.db2.gz YXPAFBTWHBZVDT-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC2)[C@@H](C)C1 ZINC000359377722 170375277 /nfs/dbraw/zinc/37/52/77/170375277.db2.gz KZACCRYISZBHSO-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336674139 170391994 /nfs/dbraw/zinc/39/19/94/170391994.db2.gz LJIZDFIDAALLKC-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336674139 170391996 /nfs/dbraw/zinc/39/19/96/170391996.db2.gz LJIZDFIDAALLKC-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336674139 170391997 /nfs/dbraw/zinc/39/19/97/170391997.db2.gz LJIZDFIDAALLKC-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000660781013 411629651 /nfs/dbraw/zinc/62/96/51/411629651.db2.gz QQRBBCCPPSYAPZ-YIYPIFLZSA-N 2 1 240.391 1.466 20 0 BDADMP CCOC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000044688307 170430968 /nfs/dbraw/zinc/43/09/68/170430968.db2.gz RCFQONRMPOBULW-SNVBAGLBSA-N 2 1 200.326 1.095 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCCO1)C2 ZINC000660655062 411613315 /nfs/dbraw/zinc/61/33/15/411613315.db2.gz KGZUIUHWVHEEST-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCCO1)C2 ZINC000660655062 411613317 /nfs/dbraw/zinc/61/33/17/411613317.db2.gz KGZUIUHWVHEEST-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000660655062 411613319 /nfs/dbraw/zinc/61/33/19/411613319.db2.gz KGZUIUHWVHEEST-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000660655458 411613745 /nfs/dbraw/zinc/61/37/45/411613745.db2.gz IANWUSRWGHHGMR-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000660655458 411613746 /nfs/dbraw/zinc/61/37/46/411613746.db2.gz IANWUSRWGHHGMR-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000660655458 411613747 /nfs/dbraw/zinc/61/37/47/411613747.db2.gz IANWUSRWGHHGMR-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660810 411614704 /nfs/dbraw/zinc/61/47/04/411614704.db2.gz AWGCXOMRKVMIFN-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660810 411614705 /nfs/dbraw/zinc/61/47/05/411614705.db2.gz AWGCXOMRKVMIFN-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660810 411614707 /nfs/dbraw/zinc/61/47/07/411614707.db2.gz AWGCXOMRKVMIFN-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CCCC2)CCO1 ZINC000133337602 411713381 /nfs/dbraw/zinc/71/33/81/411713381.db2.gz TVAWOTIAYBNBKA-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CCCC2)CCO1 ZINC000133337602 411713384 /nfs/dbraw/zinc/71/33/84/411713384.db2.gz TVAWOTIAYBNBKA-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1ncsc1CC[N@@H+](C)CCC[NH3+] ZINC000133219671 411658307 /nfs/dbraw/zinc/65/83/07/411658307.db2.gz GOYDEIHTRMXLGW-UHFFFAOYSA-N 2 1 213.350 1.275 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000663502503 411686310 /nfs/dbraw/zinc/68/63/10/411686310.db2.gz IAMVQTFLRJEYOL-IJLUTSLNSA-N 3 1 213.369 1.219 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503590 411688335 /nfs/dbraw/zinc/68/83/35/411688335.db2.gz PYKLKTWGYGOMMU-RYUDHWBXSA-N 2 1 246.358 1.223 20 0 BDADMP CCn1nccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000663512101 411694798 /nfs/dbraw/zinc/69/47/98/411694798.db2.gz FJEXBEMJONFQSQ-NSHDSACASA-N 2 1 222.336 1.135 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C(C)(C)CC ZINC000661231738 411738285 /nfs/dbraw/zinc/73/82/85/411738285.db2.gz PZHGLRVBOIBNJD-RYUDHWBXSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H](C)[C@H]1O ZINC000661620992 411820014 /nfs/dbraw/zinc/82/00/14/411820014.db2.gz CADKCMKRECINNT-RQJABVFESA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661690564 411832816 /nfs/dbraw/zinc/83/28/16/411832816.db2.gz RQWQTWFMACCHSY-QWHCGFSZSA-N 2 1 246.370 1.371 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661690563 411833203 /nfs/dbraw/zinc/83/32/03/411833203.db2.gz RQWQTWFMACCHSY-OLZOCXBDSA-N 2 1 246.370 1.371 20 0 BDADMP C[C@@H](O)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000661766303 411875705 /nfs/dbraw/zinc/87/57/05/411875705.db2.gz CKGKBLSAYJGNCW-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H](O)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000661766303 411875708 /nfs/dbraw/zinc/87/57/08/411875708.db2.gz CKGKBLSAYJGNCW-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H](O)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000661766303 411875712 /nfs/dbraw/zinc/87/57/12/411875712.db2.gz CKGKBLSAYJGNCW-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152702 412008236 /nfs/dbraw/zinc/00/82/36/412008236.db2.gz XVSRAHBGBLTJPG-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)C[NH2+]C ZINC000664719418 412013967 /nfs/dbraw/zinc/01/39/67/412013967.db2.gz RAYMJQDAHMAPMN-NSHDSACASA-N 2 1 243.395 1.079 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000664719745 412014907 /nfs/dbraw/zinc/01/49/07/412014907.db2.gz XIBFCXCAAVQYNY-QWRGUYRKSA-N 2 1 243.395 1.206 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CCO ZINC000662216812 412029945 /nfs/dbraw/zinc/02/99/45/412029945.db2.gz PJXVCJOMOMHHKN-GXTWGEPZSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662238164 412033751 /nfs/dbraw/zinc/03/37/51/412033751.db2.gz NPOVXQSAFIAVCE-ZDUSSCGKSA-N 2 1 208.349 1.884 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662235772 412035019 /nfs/dbraw/zinc/03/50/19/412035019.db2.gz SNCYKTGVRYRADU-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662235772 412035022 /nfs/dbraw/zinc/03/50/22/412035022.db2.gz SNCYKTGVRYRADU-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])C1CCC1 ZINC000662242381 412037073 /nfs/dbraw/zinc/03/70/73/412037073.db2.gz DHTVNINJVFSMND-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CCCC[C@@H]1C[NH3+])C1CCC1 ZINC000662242381 412037076 /nfs/dbraw/zinc/03/70/76/412037076.db2.gz DHTVNINJVFSMND-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@H](CC(F)F)C[N@@H+]1CCC[NH2+]CC1 ZINC000662241857 412037617 /nfs/dbraw/zinc/03/76/17/412037617.db2.gz XVGXEQNGVJBSQS-SNVBAGLBSA-N 2 1 220.307 1.963 20 0 BDADMP CC[C@H](CC(F)F)C[N@H+]1CCC[NH2+]CC1 ZINC000662241857 412037621 /nfs/dbraw/zinc/03/76/21/412037621.db2.gz XVGXEQNGVJBSQS-SNVBAGLBSA-N 2 1 220.307 1.963 20 0 BDADMP CO[C@H](C[N@@H+](C)CCC[NH3+])C1CCCC1 ZINC000662243932 412038753 /nfs/dbraw/zinc/03/87/53/412038753.db2.gz DJIIRJUSMWDNAS-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](OC)C1CCCC1 ZINC000662247405 412044528 /nfs/dbraw/zinc/04/45/28/412044528.db2.gz ZWBLCPQIODNCFR-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](OC)C1CCCC1 ZINC000662247405 412044530 /nfs/dbraw/zinc/04/45/30/412044530.db2.gz ZWBLCPQIODNCFR-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253969 412049881 /nfs/dbraw/zinc/04/98/81/412049881.db2.gz ZZGPSFVEARKXBE-LBPRGKRZSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C)CC1 ZINC000662257719 412052264 /nfs/dbraw/zinc/05/22/64/412052264.db2.gz FWKDFMYYRYMZRF-NEPJUHHUSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)(C)[NH3+] ZINC000662294095 412052899 /nfs/dbraw/zinc/05/28/99/412052899.db2.gz IVSZNEHLMBXELJ-NSHDSACASA-N 3 1 213.369 1.045 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)CC(C)(C)[NH3+] ZINC000662294095 412052900 /nfs/dbraw/zinc/05/29/00/412052900.db2.gz IVSZNEHLMBXELJ-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)(C)N ZINC000662294095 412052902 /nfs/dbraw/zinc/05/29/02/412052902.db2.gz IVSZNEHLMBXELJ-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)(C)N ZINC000662294095 412052905 /nfs/dbraw/zinc/05/29/05/412052905.db2.gz IVSZNEHLMBXELJ-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259031 412054528 /nfs/dbraw/zinc/05/45/28/412054528.db2.gz OMYURUKUEAANPA-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000662265177 412056524 /nfs/dbraw/zinc/05/65/24/412056524.db2.gz GCNLPGQAGFULKP-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@@H]1[NH3+] ZINC000134092127 412058657 /nfs/dbraw/zinc/05/86/57/412058657.db2.gz NSTXOXLRPYUPIW-JSGCOSHPSA-N 2 1 234.343 1.951 20 0 BDADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000336729153 171059580 /nfs/dbraw/zinc/05/95/80/171059580.db2.gz HNBWYUAZZOENGN-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000133061384 171086276 /nfs/dbraw/zinc/08/62/76/171086276.db2.gz MEDJTOAWBDPJKE-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CO[C@H](C[N@H+](C)C1(C[NH3+])CCC1)C1CCC1 ZINC000662273018 412065041 /nfs/dbraw/zinc/06/50/41/412065041.db2.gz JKBANNQJAQEKSG-GFCCVEGCSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@@H+](C)C1(C[NH3+])CCC1)C1CCC1 ZINC000662273018 412065046 /nfs/dbraw/zinc/06/50/46/412065046.db2.gz JKBANNQJAQEKSG-GFCCVEGCSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000662273549 412065315 /nfs/dbraw/zinc/06/53/15/412065315.db2.gz OELRZWOYUVFJQP-BFHYXJOUSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000359463413 171130461 /nfs/dbraw/zinc/13/04/61/171130461.db2.gz ZGVJIBLVZMDXFN-YIYPIFLZSA-N 2 1 238.375 1.343 20 0 BDADMP Cn1c[nH+]cc1CCCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662275665 412067701 /nfs/dbraw/zinc/06/77/01/412067701.db2.gz GILAOGDWPWARKQ-BETUJISGSA-N 2 1 248.374 1.179 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C1CCC1 ZINC000662277787 412069645 /nfs/dbraw/zinc/06/96/45/412069645.db2.gz RYFZZJPHNOOACB-NWDGAFQWSA-N 2 1 228.380 1.765 20 0 BDADMP CCc1nocc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662286609 412076576 /nfs/dbraw/zinc/07/65/76/412076576.db2.gz RVFHRYLEFQRBBC-JSGCOSHPSA-N 2 1 249.358 1.798 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662286609 412076581 /nfs/dbraw/zinc/07/65/81/412076581.db2.gz RVFHRYLEFQRBBC-JSGCOSHPSA-N 2 1 249.358 1.798 20 0 BDADMP CC[C@@]1(C)COCC[N@H+]1CCn1ccnc1C ZINC000336702279 171204804 /nfs/dbraw/zinc/20/48/04/171204804.db2.gz MEZGATPMQWZKRQ-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CC[C@H](C(=O)NCC[N@@H+](C)CC)[NH+](CC)CC ZINC000346131649 171228398 /nfs/dbraw/zinc/22/83/98/171228398.db2.gz PGWBQDYXWCMTOZ-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662282237 412073205 /nfs/dbraw/zinc/07/32/05/412073205.db2.gz OAWPCGJAIZOSFB-FRRDWIJNSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000662285515 412077738 /nfs/dbraw/zinc/07/77/38/412077738.db2.gz KRQJDIQJWJHVEI-ZWNOBZJWSA-N 2 1 237.347 1.932 20 0 BDADMP COc1ccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000662297062 412083614 /nfs/dbraw/zinc/08/36/14/412083614.db2.gz ZDOFTMPEOSUSAQ-GFCCVEGCSA-N 2 1 249.358 1.522 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336732938 171308338 /nfs/dbraw/zinc/30/83/38/171308338.db2.gz JSNVWNHWHNHHKQ-RWMBFGLXSA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336732938 171308339 /nfs/dbraw/zinc/30/83/39/171308339.db2.gz JSNVWNHWHNHHKQ-RWMBFGLXSA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336732938 171308340 /nfs/dbraw/zinc/30/83/40/171308340.db2.gz JSNVWNHWHNHHKQ-RWMBFGLXSA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309093964 171389873 /nfs/dbraw/zinc/38/98/73/171389873.db2.gz DGBDLPFTZQPFBO-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309093964 171389875 /nfs/dbraw/zinc/38/98/75/171389875.db2.gz DGBDLPFTZQPFBO-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000362975193 171391800 /nfs/dbraw/zinc/39/18/00/171391800.db2.gz DQEZGOSURHLWQO-AAEUAGOBSA-N 2 1 228.380 1.731 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@@H]1CCCCO1 ZINC000662305569 412091160 /nfs/dbraw/zinc/09/11/60/412091160.db2.gz JSXGFZFASFUPLL-CPCZMJQVSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CC[C@@H]1CCCCO1 ZINC000662305569 412091163 /nfs/dbraw/zinc/09/11/63/412091163.db2.gz JSXGFZFASFUPLL-CPCZMJQVSA-N 2 1 224.348 1.369 20 0 BDADMP CCOCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318541 412098215 /nfs/dbraw/zinc/09/82/15/412098215.db2.gz BFCMDHZHKBZQJR-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP CCOCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318541 412098220 /nfs/dbraw/zinc/09/82/20/412098220.db2.gz BFCMDHZHKBZQJR-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317849 412099359 /nfs/dbraw/zinc/09/93/59/412099359.db2.gz TVOTWDMAPBRGJK-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000665236750 412176688 /nfs/dbraw/zinc/17/66/88/412176688.db2.gz SSXZJOXHKBCWBI-RWMBFGLXSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000665244297 412187522 /nfs/dbraw/zinc/18/75/22/412187522.db2.gz KJDGRIDZKGZFKP-OPRDCNLKSA-N 2 1 234.290 1.141 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cn[nH]c1 ZINC000665246633 412190430 /nfs/dbraw/zinc/19/04/30/412190430.db2.gz JYIGIQCRZXQJNL-SECBINFHSA-N 2 1 208.309 1.332 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665248514 412195742 /nfs/dbraw/zinc/19/57/42/412195742.db2.gz YHADGPOSOFQYIV-SECBINFHSA-N 2 1 222.336 1.640 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)F ZINC000665261865 412204322 /nfs/dbraw/zinc/20/43/22/412204322.db2.gz NIAIRDXRIKXLNK-VHSXEESVSA-N 2 1 202.317 1.712 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000665267530 412210157 /nfs/dbraw/zinc/21/01/57/412210157.db2.gz YHCSJAFZUZNDNX-IVZWLZJFSA-N 2 1 218.291 1.762 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)O ZINC000340502811 171515670 /nfs/dbraw/zinc/51/56/70/171515670.db2.gz MKKZPKJIFGEBHR-LBPRGKRZSA-N 2 1 228.380 1.610 20 0 BDADMP COC1CC(CC[NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000665230950 412167738 /nfs/dbraw/zinc/16/77/38/412167738.db2.gz ZDMOAPBDOZGCCL-VOMCLLRMSA-N 2 1 249.358 1.960 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000665281536 412226903 /nfs/dbraw/zinc/22/69/03/412226903.db2.gz FULAGUMDFXHHHY-UTUOFQBUSA-N 2 1 236.363 1.852 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccncn1 ZINC000665281555 412227003 /nfs/dbraw/zinc/22/70/03/412227003.db2.gz GROCOJUETDEGDM-GHMZBOCLSA-N 2 1 222.336 1.501 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccco1 ZINC000665283336 412229000 /nfs/dbraw/zinc/22/90/00/412229000.db2.gz MCBFCKNWAFAYSZ-DGCLKSJQSA-N 2 1 222.332 1.800 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH2+]C)C12CCC2 ZINC000665295851 412233166 /nfs/dbraw/zinc/23/31/66/412233166.db2.gz KQQIMQVAGVOWEJ-IJLUTSLNSA-N 2 1 226.364 1.532 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000665295887 412233282 /nfs/dbraw/zinc/23/32/82/412233282.db2.gz LAOOCQUJQLEJMP-NNYUYHANSA-N 2 1 226.364 1.388 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H](C)C[NH2+]C)C[C@@H]1OC ZINC000665296902 412244131 /nfs/dbraw/zinc/24/41/31/412244131.db2.gz ZKYBZUWEDYJRBC-UTUOFQBUSA-N 2 1 228.380 1.778 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000665298049 412244287 /nfs/dbraw/zinc/24/42/87/412244287.db2.gz QWSIEUZRPVLNOF-QWRGUYRKSA-N 2 1 237.347 1.219 20 0 BDADMP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621145 412245205 /nfs/dbraw/zinc/24/52/05/412245205.db2.gz FAXYOTUOGRWZHH-SNVBAGLBSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[N@H+]1C ZINC000132946633 412373920 /nfs/dbraw/zinc/37/39/20/412373920.db2.gz COXPFZLUEBXOID-GHMZBOCLSA-N 2 1 241.379 1.103 20 0 BDADMP CCc1[nH+]ccn1CC[C@H]1CCC[NH2+]C1 ZINC000051919929 172025833 /nfs/dbraw/zinc/02/58/33/172025833.db2.gz IQANJEBCCYHESP-LLVKDONJSA-N 2 1 207.321 1.835 20 0 BDADMP CCc1nocc1C[NH2+]CCCn1cc[nH+]c1C ZINC000339185934 172099133 /nfs/dbraw/zinc/09/91/33/172099133.db2.gz OLGXAXUAEVVIPL-UHFFFAOYSA-N 2 1 248.330 1.922 20 0 BDADMP CCn1cc(CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000353959348 172173634 /nfs/dbraw/zinc/17/36/34/172173634.db2.gz UJBGKFXXLGSRHH-BXUZGUMPSA-N 2 1 248.374 1.475 20 0 BDADMP CCn1cc(CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cn1 ZINC000353959348 172173636 /nfs/dbraw/zinc/17/36/36/172173636.db2.gz UJBGKFXXLGSRHH-BXUZGUMPSA-N 2 1 248.374 1.475 20 0 BDADMP CCn1nc(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000307974770 172245919 /nfs/dbraw/zinc/24/59/19/172245919.db2.gz QBHFHKYYWLUQAO-BETUJISGSA-N 2 1 248.374 1.171 20 0 BDADMP CCn1nc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000307974770 172245922 /nfs/dbraw/zinc/24/59/22/172245922.db2.gz QBHFHKYYWLUQAO-BETUJISGSA-N 2 1 248.374 1.171 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163400453 172266091 /nfs/dbraw/zinc/26/60/91/172266091.db2.gz UAHGIGXCRGUNSK-VXGBXAGGSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163400453 172266093 /nfs/dbraw/zinc/26/60/93/172266093.db2.gz UAHGIGXCRGUNSK-VXGBXAGGSA-N 2 1 236.363 1.320 20 0 BDADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(N)=[NH2+])C1CC1 ZINC000186889888 172870630 /nfs/dbraw/zinc/87/06/30/172870630.db2.gz JUWRMDZZGHLBIH-ZDUSSCGKSA-N 2 1 246.358 1.380 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000061572936 172997408 /nfs/dbraw/zinc/99/74/08/172997408.db2.gz DFYLGDZDOQBJOX-NSHDSACASA-N 2 1 214.378 1.566 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](O)CC1 ZINC000334245609 173005217 /nfs/dbraw/zinc/00/52/17/173005217.db2.gz SYCVIMHDAYTLJG-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](O)CC1 ZINC000334245609 173005220 /nfs/dbraw/zinc/00/52/20/173005220.db2.gz SYCVIMHDAYTLJG-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](O)CC1 ZINC000334245609 173005221 /nfs/dbraw/zinc/00/52/21/173005221.db2.gz SYCVIMHDAYTLJG-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCCN(CC[NH2+]C2CCCC2)CC1 ZINC000037482414 173014117 /nfs/dbraw/zinc/01/41/17/173014117.db2.gz VFWDHKKNJOXAMA-UHFFFAOYSA-N 2 1 225.380 1.156 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CCO ZINC000336680737 173050009 /nfs/dbraw/zinc/05/00/09/173050009.db2.gz XQQZGXYBGQFKEC-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CCO ZINC000336680737 173050012 /nfs/dbraw/zinc/05/00/12/173050012.db2.gz XQQZGXYBGQFKEC-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1CCO ZINC000336680737 173050014 /nfs/dbraw/zinc/05/00/14/173050014.db2.gz XQQZGXYBGQFKEC-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CO)CC1 ZINC000339750620 173051640 /nfs/dbraw/zinc/05/16/40/173051640.db2.gz OIRKECHBJWMBGP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000339750620 173051642 /nfs/dbraw/zinc/05/16/42/173051642.db2.gz OIRKECHBJWMBGP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CO)CC1 ZINC000339750620 173051646 /nfs/dbraw/zinc/05/16/46/173051646.db2.gz OIRKECHBJWMBGP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(C)(C)O ZINC000336754719 173053776 /nfs/dbraw/zinc/05/37/76/173053776.db2.gz FXONTJXWFFXXQN-NSHDSACASA-N 2 1 228.380 1.610 20 0 BDADMP CN1CC[N@@H+](CCC2CC[NH2+]CC2)CC1(C)C ZINC000104138466 173079487 /nfs/dbraw/zinc/07/94/87/173079487.db2.gz OAUZSKMZZSXQBZ-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(C)(C)O)[C@@H]2C1 ZINC000375249112 173129258 /nfs/dbraw/zinc/12/92/58/173129258.db2.gz OCNGKBFDMONUDM-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC(C)(C)O)[C@@H]2C1 ZINC000375249112 173129261 /nfs/dbraw/zinc/12/92/61/173129261.db2.gz OCNGKBFDMONUDM-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC(C)(C)O)[C@@H]2C1 ZINC000375249112 173129263 /nfs/dbraw/zinc/12/92/63/173129263.db2.gz OCNGKBFDMONUDM-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(C)(C)O)[C@@H]2C1 ZINC000375249112 173129265 /nfs/dbraw/zinc/12/92/65/173129265.db2.gz OCNGKBFDMONUDM-VXGBXAGGSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccccn3)C2)C1 ZINC000292166364 173139310 /nfs/dbraw/zinc/13/93/10/173139310.db2.gz PDHLPKPGKMQLAD-OAHLLOKOSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccccn3)C2)C1 ZINC000292166364 173139312 /nfs/dbraw/zinc/13/93/12/173139312.db2.gz PDHLPKPGKMQLAD-OAHLLOKOSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccccn3)C2)C1 ZINC000292166364 173139315 /nfs/dbraw/zinc/13/93/15/173139315.db2.gz PDHLPKPGKMQLAD-OAHLLOKOSA-N 2 1 245.370 1.652 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCCO)[C@H]2CCC[C@@H]21 ZINC000353609592 173152176 /nfs/dbraw/zinc/15/21/76/173152176.db2.gz TZCHOLBZTOVEHM-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)O)[C@H]2CCC[C@H]21 ZINC000368610819 173152775 /nfs/dbraw/zinc/15/27/75/173152775.db2.gz BCXLDEHXOPVXJH-FRRDWIJNSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCF)[C@H]2CCC[C@H]21 ZINC000308909990 173152835 /nfs/dbraw/zinc/15/28/35/173152835.db2.gz DMGXKJKLFMDVGG-GRYCIOLGSA-N 2 1 214.328 1.808 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000368607981 173153049 /nfs/dbraw/zinc/15/30/49/173153049.db2.gz KCBWPPZTLSNUEG-RDBSUJKOSA-N 2 1 248.374 1.346 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO2)[C@H]2CCC[C@H]21 ZINC000353433995 173153557 /nfs/dbraw/zinc/15/35/57/173153557.db2.gz HZNYEXNYTPONCJ-RFQIPJPRSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@H]2CCC[C@@H]21 ZINC000336774436 173154371 /nfs/dbraw/zinc/15/43/71/173154371.db2.gz WWPSURAKULBHPX-NDBYEHHHSA-N 2 1 240.416 1.954 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000337426544 173165527 /nfs/dbraw/zinc/16/55/27/173165527.db2.gz SRSHZBFXRJGGGO-MQYQWHSLSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000337426544 173165530 /nfs/dbraw/zinc/16/55/30/173165530.db2.gz SRSHZBFXRJGGGO-MQYQWHSLSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCC=CO3)C2)C1 ZINC000366478540 173167775 /nfs/dbraw/zinc/16/77/75/173167775.db2.gz FILJRSMAPIIFIJ-KBPBESRZSA-N 2 1 236.359 1.707 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCC=CO3)C2)C1 ZINC000366478540 173167777 /nfs/dbraw/zinc/16/77/77/173167777.db2.gz FILJRSMAPIIFIJ-KBPBESRZSA-N 2 1 236.359 1.707 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCC=CO3)C2)C1 ZINC000366478540 173167780 /nfs/dbraw/zinc/16/77/80/173167780.db2.gz FILJRSMAPIIFIJ-KBPBESRZSA-N 2 1 236.359 1.707 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCCn3ccnc3)C2)C1 ZINC000366518824 173167998 /nfs/dbraw/zinc/16/79/98/173167998.db2.gz IMLLNQAAWMCCTL-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCCn3ccnc3)C2)C1 ZINC000366518824 173167999 /nfs/dbraw/zinc/16/79/99/173167999.db2.gz IMLLNQAAWMCCTL-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCn3ccnc3)C2)C1 ZINC000366518824 173168001 /nfs/dbraw/zinc/16/80/01/173168001.db2.gz IMLLNQAAWMCCTL-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2cocn2)CC1 ZINC000261551978 173338800 /nfs/dbraw/zinc/33/88/00/173338800.db2.gz QWVUAJYUUCTAIN-UHFFFAOYSA-N 2 1 209.293 1.106 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOc1cccc(C)c1 ZINC000124920642 173345864 /nfs/dbraw/zinc/34/58/64/173345864.db2.gz DKYNCDGADHJDLF-UHFFFAOYSA-N 2 1 236.359 1.915 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOc1cccc(C)c1 ZINC000124920642 173345865 /nfs/dbraw/zinc/34/58/65/173345865.db2.gz DKYNCDGADHJDLF-UHFFFAOYSA-N 2 1 236.359 1.915 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000011892063 173369881 /nfs/dbraw/zinc/36/98/81/173369881.db2.gz NAOQYRJSZIUHPC-LBPRGKRZSA-N 2 1 214.353 1.343 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000339407485 173369987 /nfs/dbraw/zinc/36/99/87/173369987.db2.gz NSBPLDDFUHUKHG-HNNXBMFYSA-N 2 1 247.386 1.864 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000011891915 173370662 /nfs/dbraw/zinc/37/06/62/173370662.db2.gz OBZBMGSFNKOPMC-NSHDSACASA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000011891915 173370663 /nfs/dbraw/zinc/37/06/63/173370663.db2.gz OBZBMGSFNKOPMC-NSHDSACASA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC000250754919 173379713 /nfs/dbraw/zinc/37/97/13/173379713.db2.gz PWORWZZUJUJVOV-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000250754919 173379715 /nfs/dbraw/zinc/37/97/15/173379715.db2.gz PWORWZZUJUJVOV-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH2+]C[C@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000053703545 173380732 /nfs/dbraw/zinc/38/07/32/173380732.db2.gz QMUYTSOJUZCGND-LLVKDONJSA-N 2 1 220.320 1.282 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000011891978 173381633 /nfs/dbraw/zinc/38/16/33/173381633.db2.gz IZDRBPYUYFSLJK-LLVKDONJSA-N 2 1 224.373 1.832 20 0 BDADMP COCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336698638 174071467 /nfs/dbraw/zinc/07/14/67/174071467.db2.gz JCQLUKJMPDAAHA-YHWZYXNKSA-N 2 1 240.391 1.874 20 0 BDADMP COCCCCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000336756272 174178596 /nfs/dbraw/zinc/17/85/96/174178596.db2.gz YLFPZTQWGXQGQY-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP COCCCCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000336756272 174178599 /nfs/dbraw/zinc/17/85/99/174178599.db2.gz YLFPZTQWGXQGQY-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP COCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369599846 174234613 /nfs/dbraw/zinc/23/46/13/174234613.db2.gz GRXZOJHLEXZNLE-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369599846 174234615 /nfs/dbraw/zinc/23/46/15/174234615.db2.gz GRXZOJHLEXZNLE-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369599846 174234617 /nfs/dbraw/zinc/23/46/17/174234617.db2.gz GRXZOJHLEXZNLE-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP COCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363257438 174318130 /nfs/dbraw/zinc/31/81/30/174318130.db2.gz XPIRAWZYDMBUGW-JHJVBQTASA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363257438 174318132 /nfs/dbraw/zinc/31/81/32/174318132.db2.gz XPIRAWZYDMBUGW-JHJVBQTASA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363257438 174318133 /nfs/dbraw/zinc/31/81/33/174318133.db2.gz XPIRAWZYDMBUGW-JHJVBQTASA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375898307 174339439 /nfs/dbraw/zinc/33/94/39/174339439.db2.gz QZURJRCTXDBGDX-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000045035633 174382849 /nfs/dbraw/zinc/38/28/49/174382849.db2.gz CMRRGVDQNCVGFU-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+]CC[NH3+])cc1OC ZINC000037712672 175115851 /nfs/dbraw/zinc/11/58/51/175115851.db2.gz CDBNLAZIWVXPGU-SNVBAGLBSA-N 2 1 238.331 1.183 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383493981 487629817 /nfs/dbraw/zinc/62/98/17/487629817.db2.gz BGSJGYONQXGKRT-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000383493981 487629822 /nfs/dbraw/zinc/62/98/22/487629822.db2.gz BGSJGYONQXGKRT-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383493981 487629827 /nfs/dbraw/zinc/62/98/27/487629827.db2.gz BGSJGYONQXGKRT-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP COc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000049708107 175327620 /nfs/dbraw/zinc/32/76/20/175327620.db2.gz SLGGHJRVLNHHOF-AAEUAGOBSA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000049708107 175327622 /nfs/dbraw/zinc/32/76/22/175327622.db2.gz SLGGHJRVLNHHOF-AAEUAGOBSA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194536960 175328929 /nfs/dbraw/zinc/32/89/29/175328929.db2.gz WNBHGUHEVAEDID-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194536960 175328931 /nfs/dbraw/zinc/32/89/31/175328931.db2.gz WNBHGUHEVAEDID-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194536960 175328933 /nfs/dbraw/zinc/32/89/33/175328933.db2.gz WNBHGUHEVAEDID-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194536960 175328935 /nfs/dbraw/zinc/32/89/35/175328935.db2.gz WNBHGUHEVAEDID-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194536960 175328937 /nfs/dbraw/zinc/32/89/37/175328937.db2.gz WNBHGUHEVAEDID-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1ccccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291709341 175329923 /nfs/dbraw/zinc/32/99/23/175329923.db2.gz LFHSWWYFQJYBHT-LBPRGKRZSA-N 2 1 236.359 1.983 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309754913 176051366 /nfs/dbraw/zinc/05/13/66/176051366.db2.gz HJOUUWQUQNLYDD-UTUOFQBUSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1CCC[C@@H](CO)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336709013 176119330 /nfs/dbraw/zinc/11/93/30/176119330.db2.gz PKLZOUKFYBAADW-RDBSUJKOSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@@H](CO)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336709013 176119332 /nfs/dbraw/zinc/11/93/32/176119332.db2.gz PKLZOUKFYBAADW-RDBSUJKOSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@@H](CO)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336709013 176119334 /nfs/dbraw/zinc/11/93/34/176119334.db2.gz PKLZOUKFYBAADW-RDBSUJKOSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@@H]1C ZINC000358225215 176144328 /nfs/dbraw/zinc/14/43/28/176144328.db2.gz CEAHRXIRRNKBPX-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@@H]1C ZINC000358225215 176144331 /nfs/dbraw/zinc/14/43/31/176144331.db2.gz CEAHRXIRRNKBPX-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336693683 176197654 /nfs/dbraw/zinc/19/76/54/176197654.db2.gz HZHNBXCIFLHXOL-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336693683 176197655 /nfs/dbraw/zinc/19/76/55/176197655.db2.gz HZHNBXCIFLHXOL-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336693683 176197656 /nfs/dbraw/zinc/19/76/56/176197656.db2.gz HZHNBXCIFLHXOL-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336693683 176197657 /nfs/dbraw/zinc/19/76/57/176197657.db2.gz HZHNBXCIFLHXOL-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336674184 176199797 /nfs/dbraw/zinc/19/97/97/176199797.db2.gz UKFKASZJLGEMRL-WZRBSPASSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336674184 176199800 /nfs/dbraw/zinc/19/98/00/176199800.db2.gz UKFKASZJLGEMRL-WZRBSPASSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccn(C)c1 ZINC000290335472 176268777 /nfs/dbraw/zinc/26/87/77/176268777.db2.gz FAUASLLDWNYZJZ-TZMCWYRMSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccn(C)c1 ZINC000290335472 176268779 /nfs/dbraw/zinc/26/87/79/176268779.db2.gz FAUASLLDWNYZJZ-TZMCWYRMSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccn(C)c1 ZINC000290335472 176268781 /nfs/dbraw/zinc/26/87/81/176268781.db2.gz FAUASLLDWNYZJZ-TZMCWYRMSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccn(C)c1 ZINC000290335472 176268783 /nfs/dbraw/zinc/26/87/83/176268783.db2.gz FAUASLLDWNYZJZ-TZMCWYRMSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336781216 176270882 /nfs/dbraw/zinc/27/08/82/176270882.db2.gz UCIYIYDWDSGYRQ-CHWSQXEVSA-N 3 1 227.396 1.258 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336781216 176270884 /nfs/dbraw/zinc/27/08/84/176270884.db2.gz UCIYIYDWDSGYRQ-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCOCC1 ZINC000036908722 176278307 /nfs/dbraw/zinc/27/83/07/176278307.db2.gz XELTYXTXWBUVBC-WZRBSPASSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000300418754 176278527 /nfs/dbraw/zinc/27/85/27/176278527.db2.gz BLFYUDLSDHGJGO-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000038044774 176280471 /nfs/dbraw/zinc/28/04/71/176280471.db2.gz MQDUWQXQEPACQP-YIYPIFLZSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000223643070 176293159 /nfs/dbraw/zinc/29/31/59/176293159.db2.gz NBDJCEAGCSTTJY-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000042896768 176293278 /nfs/dbraw/zinc/29/32/78/176293278.db2.gz SYFLEGHKHAFYIJ-OCCSQVGLSA-N 2 1 234.343 1.735 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1[NH3+] ZINC000251757679 176293745 /nfs/dbraw/zinc/29/37/45/176293745.db2.gz LRHHXVNCKIHDJJ-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1CN(C[C@H]([NH3+])Cc2ccccc2)CC[N@H+]1C ZINC000104351601 176299050 /nfs/dbraw/zinc/29/90/50/176299050.db2.gz AAHOFTPTFSDWLH-UKRRQHHQSA-N 2 1 247.386 1.192 20 0 BDADMP C[C@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000309499024 176299272 /nfs/dbraw/zinc/29/92/72/176299272.db2.gz ZTCUBJZHIQNHBI-NTZNESFSSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000309499024 176299274 /nfs/dbraw/zinc/29/92/74/176299274.db2.gz ZTCUBJZHIQNHBI-NTZNESFSSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000309499024 176299276 /nfs/dbraw/zinc/29/92/76/176299276.db2.gz ZTCUBJZHIQNHBI-NTZNESFSSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000309499024 176299277 /nfs/dbraw/zinc/29/92/77/176299277.db2.gz ZTCUBJZHIQNHBI-NTZNESFSSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C1CC1 ZINC000363540438 176300145 /nfs/dbraw/zinc/30/01/45/176300145.db2.gz WMINODZKKXJTES-BNOWGMLFSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C1CC1 ZINC000363540438 176300146 /nfs/dbraw/zinc/30/01/46/176300146.db2.gz WMINODZKKXJTES-BNOWGMLFSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000335603236 176338719 /nfs/dbraw/zinc/33/87/19/176338719.db2.gz YFSMIQMZPIOKNR-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)CC[N@H+]1C ZINC000353976509 176339090 /nfs/dbraw/zinc/33/90/90/176339090.db2.gz XWLVUHGNZZXQEU-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353976510 176339267 /nfs/dbraw/zinc/33/92/67/176339267.db2.gz XWLVUHGNZZXQEU-RQJABVFESA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCO2)CCN1C ZINC000123603481 176371265 /nfs/dbraw/zinc/37/12/65/176371265.db2.gz AJIZQNVFCDFVBJ-AGIUHOORSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000123603481 176371266 /nfs/dbraw/zinc/37/12/66/176371266.db2.gz AJIZQNVFCDFVBJ-AGIUHOORSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000123603481 176371267 /nfs/dbraw/zinc/37/12/67/176371267.db2.gz AJIZQNVFCDFVBJ-AGIUHOORSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H](O)C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901257 487635223 /nfs/dbraw/zinc/63/52/23/487635223.db2.gz CZYIQCFBCNXCCG-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@H](c1cccc(O)c1)[N@@H+](C)CCOCC[NH3+] ZINC000357083094 177037054 /nfs/dbraw/zinc/03/70/54/177037054.db2.gz INAQATLYZFHDPU-LLVKDONJSA-N 2 1 238.331 1.360 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000035694859 177043642 /nfs/dbraw/zinc/04/36/42/177043642.db2.gz CCRHYKVWDFJYEC-GHMZBOCLSA-N 2 1 205.305 1.423 20 0 BDADMP C[C@H](c1cccnc1)[NH+]1CCC([NH3+])CC1 ZINC000020521506 177044429 /nfs/dbraw/zinc/04/44/29/177044429.db2.gz QXZKHLPLHOGBGI-SNVBAGLBSA-N 2 1 205.305 1.566 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCCNC1=[NH+]CCCN1 ZINC000303254765 177075524 /nfs/dbraw/zinc/07/55/24/177075524.db2.gz FAQHFKDWWBUCNV-LBPRGKRZSA-N 2 1 238.379 1.190 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336674180 177186500 /nfs/dbraw/zinc/18/65/00/177186500.db2.gz UKFKASZJLGEMRL-NTZNESFSSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336674180 177186502 /nfs/dbraw/zinc/18/65/02/177186502.db2.gz UKFKASZJLGEMRL-NTZNESFSSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1CC[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336674180 177186504 /nfs/dbraw/zinc/18/65/04/177186504.db2.gz UKFKASZJLGEMRL-NTZNESFSSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1CC[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336674180 177186506 /nfs/dbraw/zinc/18/65/06/177186506.db2.gz UKFKASZJLGEMRL-NTZNESFSSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOC(F)F ZINC000309806508 177234166 /nfs/dbraw/zinc/23/41/66/177234166.db2.gz SGPUECNGKOBGKM-VHSXEESVSA-N 2 1 236.306 1.546 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336749081 177235090 /nfs/dbraw/zinc/23/50/90/177235090.db2.gz UBAFCWIJCZMDGB-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336749081 177235092 /nfs/dbraw/zinc/23/50/92/177235092.db2.gz UBAFCWIJCZMDGB-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCCC[NH+]1CCCC1 ZINC000336775796 177235600 /nfs/dbraw/zinc/23/56/00/177235600.db2.gz CSFAFHIOJIJHDV-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000336775796 177235603 /nfs/dbraw/zinc/23/56/03/177235603.db2.gz CSFAFHIOJIJHDV-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045694727 177246317 /nfs/dbraw/zinc/24/63/17/177246317.db2.gz MTMDEOQROOTEKO-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1[NH3+] ZINC000251853319 177246323 /nfs/dbraw/zinc/24/63/23/177246323.db2.gz RRIWELIHBCUNAK-CMPLNLGQSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000022130141 177254176 /nfs/dbraw/zinc/25/41/76/177254176.db2.gz LRHHXVNCKIHDJJ-JSGCOSHPSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCO[C@@H](C)C2)CC[NH2+]1 ZINC000235367933 177257260 /nfs/dbraw/zinc/25/72/60/177257260.db2.gz SDLUWYFBUCDSIH-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCS[C@@H](C)C2)CC[NH2+]1 ZINC000235382074 177259525 /nfs/dbraw/zinc/25/95/25/177259525.db2.gz OIQXNOOHCWVUKV-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH2+]C(C)(C)C ZINC000094459360 177280351 /nfs/dbraw/zinc/28/03/51/177280351.db2.gz DCJDWBJJPLJOTI-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000226005574 177301988 /nfs/dbraw/zinc/30/19/88/177301988.db2.gz IJCXMGYUXOSRLV-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1cccnc1 ZINC000122338990 177324538 /nfs/dbraw/zinc/32/45/38/177324538.db2.gz WQGMZIPGEJQBKQ-AAEUAGOBSA-N 2 1 219.332 1.293 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000309809388 177330983 /nfs/dbraw/zinc/33/09/83/177330983.db2.gz TVRMEVCSVAESAC-AAEUAGOBSA-N 2 1 224.348 1.405 20 0 BDADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336722169 177331938 /nfs/dbraw/zinc/33/19/38/177331938.db2.gz STRKIVJOUIRNCD-YIYPIFLZSA-N 2 1 241.423 1.502 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336722169 177331940 /nfs/dbraw/zinc/33/19/40/177331940.db2.gz STRKIVJOUIRNCD-YIYPIFLZSA-N 3 1 241.423 1.502 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336722169 177331941 /nfs/dbraw/zinc/33/19/41/177331941.db2.gz STRKIVJOUIRNCD-YIYPIFLZSA-N 3 1 241.423 1.502 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC[NH+]1CCCC1 ZINC000036908134 177332477 /nfs/dbraw/zinc/33/24/77/177332477.db2.gz ZNSVSRMSNJOANO-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCCC1 ZINC000036908134 177332478 /nfs/dbraw/zinc/33/24/78/177332478.db2.gz ZNSVSRMSNJOANO-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCCC1 ZINC000036908134 177332479 /nfs/dbraw/zinc/33/24/79/177332479.db2.gz ZNSVSRMSNJOANO-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCOCC1 ZINC000122307562 177361112 /nfs/dbraw/zinc/36/11/12/177361112.db2.gz ZROPDWXAVBUZMA-CMPLNLGQSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC(C)(C)[NH+](C)C ZINC000036908112 177368973 /nfs/dbraw/zinc/36/89/73/177368973.db2.gz DZOSUHWCFLDIIK-AGIUHOORSA-N 2 1 241.423 1.645 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000353143940 177370330 /nfs/dbraw/zinc/37/03/30/177370330.db2.gz BHWAHSKOCOOBJP-WCQYABFASA-N 2 1 249.358 1.805 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)CCN1C ZINC000124162565 177371953 /nfs/dbraw/zinc/37/19/53/177371953.db2.gz QJVWMPCMITTWHY-NWANDNLSSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H]1C[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000488333626 225374539 /nfs/dbraw/zinc/37/45/39/225374539.db2.gz OUBMOWAWBDDWAS-WCQYABFASA-N 2 1 210.365 1.916 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400493578 226344849 /nfs/dbraw/zinc/34/48/49/226344849.db2.gz AHWSSLWDBBPMCB-ZMLRMANQSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000400500555 226344888 /nfs/dbraw/zinc/34/48/88/226344888.db2.gz FVTLSHNTHOKAJQ-NNYUYHANSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400630246 226348125 /nfs/dbraw/zinc/34/81/25/226348125.db2.gz LPJGQHVBZBFONR-IJLUTSLNSA-N 2 1 222.336 1.002 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000383730593 487669154 /nfs/dbraw/zinc/66/91/54/487669154.db2.gz GXJQXRSTCRLFRZ-UONOGXRCSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000383730593 487669158 /nfs/dbraw/zinc/66/91/58/487669158.db2.gz GXJQXRSTCRLFRZ-UONOGXRCSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383730593 487669163 /nfs/dbraw/zinc/66/91/63/487669163.db2.gz GXJQXRSTCRLFRZ-UONOGXRCSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1CN(CCCc2c[nH+]cn2C)[C@H](C)C[NH2+]1 ZINC000314990742 487669190 /nfs/dbraw/zinc/66/91/90/487669190.db2.gz YVQCSTQPBFSYRX-VXGBXAGGSA-N 2 1 236.363 1.035 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000314870753 487669211 /nfs/dbraw/zinc/66/92/11/487669211.db2.gz KHUXQGWFOYXQBT-ZDUSSCGKSA-N 2 1 236.363 1.023 20 0 BDADMP Cn1c[nH+]cc1CCCN1CCCC[C@H]1C[NH3+] ZINC000314938581 487669637 /nfs/dbraw/zinc/66/96/37/487669637.db2.gz RVADQXGSXMNISF-LBPRGKRZSA-N 2 1 236.363 1.166 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])Cc1ccc(C)cc1 ZINC000383744751 487669737 /nfs/dbraw/zinc/66/97/37/487669737.db2.gz CVHIJOMKRLISAV-UHFFFAOYSA-N 2 1 236.359 1.792 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2coc(C)n2)CC1 ZINC000383751274 487670881 /nfs/dbraw/zinc/67/08/81/487670881.db2.gz DXRCUIZJNKXHOP-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000510091831 229290903 /nfs/dbraw/zinc/29/09/03/229290903.db2.gz JHCWCILQXFMPTC-RWMBFGLXSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@H]1C[C@@H]([NH+](C)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000510091831 229290906 /nfs/dbraw/zinc/29/09/06/229290906.db2.gz JHCWCILQXFMPTC-RWMBFGLXSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@H]1C[C@@H]([NH+](C)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000510091831 229290909 /nfs/dbraw/zinc/29/09/09/229290909.db2.gz JHCWCILQXFMPTC-RWMBFGLXSA-N 2 1 226.364 1.580 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)CCc1ccccc1F ZINC000414838118 487693861 /nfs/dbraw/zinc/69/38/61/487693861.db2.gz YPWWSLAOAQVTNP-NSHDSACASA-N 2 1 224.323 1.956 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000336509172 487709134 /nfs/dbraw/zinc/70/91/34/487709134.db2.gz ADWHGXMBGUOSIS-HNNXBMFYSA-N 2 1 246.354 1.968 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000336509172 487709139 /nfs/dbraw/zinc/70/91/39/487709139.db2.gz ADWHGXMBGUOSIS-HNNXBMFYSA-N 2 1 246.354 1.968 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C[C@H](C)C[NH3+])C1 ZINC001172604060 974880644 /nfs/dbraw/zinc/88/06/44/974880644.db2.gz RLANPTHOCBWHRP-UTUOFQBUSA-N 2 1 242.363 1.245 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccn2)CC[C@H]1F ZINC001206167496 974887305 /nfs/dbraw/zinc/88/73/05/974887305.db2.gz ZHUHBQIEUXXPNH-VXGBXAGGSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccn2)CC[C@H]1F ZINC001206167496 974887309 /nfs/dbraw/zinc/88/73/09/974887309.db2.gz ZHUHBQIEUXXPNH-VXGBXAGGSA-N 2 1 223.295 1.343 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](C)COC)CC[C@@H]1[NH3+] ZINC000163550965 487744697 /nfs/dbraw/zinc/74/46/97/487744697.db2.gz GAWKFIDWUXGHQU-UTUOFQBUSA-N 2 1 214.353 1.328 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226437338 487745559 /nfs/dbraw/zinc/74/55/59/487745559.db2.gz QIUDWHZECUGZQK-AVGNSLFASA-N 2 1 208.349 1.860 20 0 BDADMP CN(C)c1nc(N[C@H]2CCC[NH2+]CC2)cc[nH+]1 ZINC000226471560 487752896 /nfs/dbraw/zinc/75/28/96/487752896.db2.gz VABNGBXTNSJBPN-JTQLQIEISA-N 2 1 235.335 1.097 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000649506810 487756942 /nfs/dbraw/zinc/75/69/42/487756942.db2.gz YBPACYVAVNSOBE-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555076688 487768929 /nfs/dbraw/zinc/76/89/29/487768929.db2.gz DYXWYXNKJDEZPY-JTQLQIEISA-N 2 1 245.273 1.505 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555076688 487768937 /nfs/dbraw/zinc/76/89/37/487768937.db2.gz DYXWYXNKJDEZPY-JTQLQIEISA-N 2 1 245.273 1.505 20 0 BDADMP C[N@@H+](CCOCc1ccccc1)C1CC[NH2+]CC1 ZINC000309869225 487775571 /nfs/dbraw/zinc/77/55/71/487775571.db2.gz GGWBMIAHHBPVOQ-UHFFFAOYSA-N 2 1 248.370 1.887 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cnn(CC)c2)CC[C@H]1[NH3+] ZINC000251646069 487781022 /nfs/dbraw/zinc/78/10/22/487781022.db2.gz GFUZPTHNLHNGFZ-CHWSQXEVSA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cnn(CC)c2)CC[C@H]1[NH3+] ZINC000251646069 487781028 /nfs/dbraw/zinc/78/10/28/487781028.db2.gz GFUZPTHNLHNGFZ-CHWSQXEVSA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@H]1C[N@@H+](CCOC(C)C)CC[C@H]1[NH3+] ZINC000251645155 487780750 /nfs/dbraw/zinc/78/07/50/487780750.db2.gz GEUNXQUJZSVHMC-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@H](C[NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000400290434 487791341 /nfs/dbraw/zinc/79/13/41/487791341.db2.gz WCXXIZXEBQALPM-CYBMUJFWSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000251799432 487798560 /nfs/dbraw/zinc/79/85/60/487798560.db2.gz NZOPAGFMRSGAQK-CHWSQXEVSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000251799432 487798566 /nfs/dbraw/zinc/79/85/66/487798566.db2.gz NZOPAGFMRSGAQK-CHWSQXEVSA-N 2 1 219.332 1.641 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302635 487800356 /nfs/dbraw/zinc/80/03/56/487800356.db2.gz PNFIHLNQHSXBOC-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251944131 487809463 /nfs/dbraw/zinc/80/94/63/487809463.db2.gz SVBMYSZGKKDEQN-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@H](C)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251944131 487809468 /nfs/dbraw/zinc/80/94/68/487809468.db2.gz SVBMYSZGKKDEQN-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](CO)c1ccccc1 ZINC000235487272 487816021 /nfs/dbraw/zinc/81/60/21/487816021.db2.gz BIKPSKVNYQBRLS-BPLDGKMQSA-N 2 1 248.370 1.840 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000252683605 487829697 /nfs/dbraw/zinc/82/96/97/487829697.db2.gz DYHAABCEJSMVPF-ZOBORPQBSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000252683605 487829699 /nfs/dbraw/zinc/82/96/99/487829699.db2.gz DYHAABCEJSMVPF-ZOBORPQBSA-N 2 1 240.391 1.861 20 0 BDADMP CCCC[C@H](CC)CC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415073879 487835902 /nfs/dbraw/zinc/83/59/02/487835902.db2.gz ZAWXBHTUOKYVFL-STQMWFEESA-N 2 1 230.396 1.844 20 0 BDADMP CCCC[C@@H](CC)CC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415073874 487836743 /nfs/dbraw/zinc/83/67/43/487836743.db2.gz ZAWXBHTUOKYVFL-CHWSQXEVSA-N 2 1 230.396 1.844 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCCCCC[NH3+] ZINC000843356496 588102865 /nfs/dbraw/zinc/10/28/65/588102865.db2.gz SGKRMBXDOLFYOZ-ZDUSSCGKSA-N 3 1 229.412 1.859 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](CCO)CC(C)(C)C ZINC000666639265 487849398 /nfs/dbraw/zinc/84/93/98/487849398.db2.gz WIOXMNLGSVIXMK-GFCCVEGCSA-N 2 1 230.396 1.700 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](CCO)CC(C)(C)C)CC[NH2+]1 ZINC000666639247 487849835 /nfs/dbraw/zinc/84/98/35/487849835.db2.gz PNDQFFNPYSWVBI-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCC[NH3+] ZINC000666654516 487851604 /nfs/dbraw/zinc/85/16/04/487851604.db2.gz LVDCRDHVOGZZBC-RKDXNWHRSA-N 2 1 224.270 1.998 20 0 BDADMP CSCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000373143779 487862050 /nfs/dbraw/zinc/86/20/50/487862050.db2.gz XVQOKZWYHHDGDV-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000373143779 487862055 /nfs/dbraw/zinc/86/20/55/487862055.db2.gz XVQOKZWYHHDGDV-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000373143779 487862061 /nfs/dbraw/zinc/86/20/61/487862061.db2.gz XVQOKZWYHHDGDV-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000373143779 487862066 /nfs/dbraw/zinc/86/20/66/487862066.db2.gz XVQOKZWYHHDGDV-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000666770363 487876119 /nfs/dbraw/zinc/87/61/19/487876119.db2.gz WECUXOKXTGYLNL-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)CCO1 ZINC000666770217 487877185 /nfs/dbraw/zinc/87/71/85/487877185.db2.gz PKDDYKOAJYXNEK-MCIONIFRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H](C[N@@H+]1CCN(C)C[C@H]1CN)C(C)(C)C ZINC000304319420 487886369 /nfs/dbraw/zinc/88/63/69/487886369.db2.gz RUIWZQFQILSUFU-NWDGAFQWSA-N 2 1 227.396 1.243 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666859005 487893305 /nfs/dbraw/zinc/89/33/05/487893305.db2.gz UZOJQBBVVRFYJP-JHJVBQTASA-N 3 1 225.380 1.249 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666859006 487893060 /nfs/dbraw/zinc/89/30/60/487893060.db2.gz UZOJQBBVVRFYJP-UPJWGTAASA-N 3 1 225.380 1.249 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000157894412 487927699 /nfs/dbraw/zinc/92/76/99/487927699.db2.gz ZTEIRMYOCNCAHD-OLZOCXBDSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000157894412 487927705 /nfs/dbraw/zinc/92/77/05/487927705.db2.gz ZTEIRMYOCNCAHD-OLZOCXBDSA-N 2 1 219.332 1.641 20 0 BDADMP Cc1nc(N[C@@H]2CC[NH2+]C2)c(C)c(C)[nH+]1 ZINC000257656667 322872406 /nfs/dbraw/zinc/87/24/06/322872406.db2.gz QNAZRSCGZXDFTI-SNVBAGLBSA-N 2 1 206.293 1.176 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000126177674 323002998 /nfs/dbraw/zinc/00/29/98/323002998.db2.gz QMVCRHJAVNNVQL-JSGCOSHPSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCN1C ZINC000126177674 323002999 /nfs/dbraw/zinc/00/29/99/323002999.db2.gz QMVCRHJAVNNVQL-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000562746408 323029879 /nfs/dbraw/zinc/02/98/79/323029879.db2.gz HDPUDQOASUMIKH-XJFOESAGSA-N 2 1 240.391 1.467 20 0 BDADMP CC[NH2+]CCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000562956240 323035023 /nfs/dbraw/zinc/03/50/23/323035023.db2.gz KRWXDGVYENDZEO-YNEHKIRRSA-N 2 1 227.396 1.304 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000562956240 323035024 /nfs/dbraw/zinc/03/50/24/323035024.db2.gz KRWXDGVYENDZEO-YNEHKIRRSA-N 3 1 227.396 1.304 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000562956240 323035025 /nfs/dbraw/zinc/03/50/25/323035025.db2.gz KRWXDGVYENDZEO-YNEHKIRRSA-N 3 1 227.396 1.304 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC12CC2 ZINC000565243276 323038981 /nfs/dbraw/zinc/03/89/81/323038981.db2.gz BZZHBFKDJICUJF-GFCCVEGCSA-N 2 1 219.332 1.885 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000570709343 323068056 /nfs/dbraw/zinc/06/80/56/323068056.db2.gz RCMPWIQWMFFINJ-GWCFXTLKSA-N 2 1 222.332 1.718 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](CC1CCC1)C(C)C ZINC000572777679 323068140 /nfs/dbraw/zinc/06/81/40/323068140.db2.gz ARTYFAKHGSDTNG-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CCC1)C(C)C ZINC000572777679 323068141 /nfs/dbraw/zinc/06/81/41/323068141.db2.gz ARTYFAKHGSDTNG-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC1CCC1)C(C)C ZINC000572777679 323068142 /nfs/dbraw/zinc/06/81/42/323068142.db2.gz ARTYFAKHGSDTNG-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC1CCC1)C(C)C ZINC000572777679 323068143 /nfs/dbraw/zinc/06/81/43/323068143.db2.gz ARTYFAKHGSDTNG-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000397255251 323080792 /nfs/dbraw/zinc/08/07/92/323080792.db2.gz FHCXIHCDJQKQFF-UTUOFQBUSA-N 2 1 236.363 1.225 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000397255251 323080793 /nfs/dbraw/zinc/08/07/93/323080793.db2.gz FHCXIHCDJQKQFF-UTUOFQBUSA-N 2 1 236.363 1.225 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1CC(C)(C)C1 ZINC000308887280 323081626 /nfs/dbraw/zinc/08/16/26/323081626.db2.gz UOMALBWBOGPWJE-UHFFFAOYSA-N 2 1 207.321 1.741 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCCc2ccccc21 ZINC000571047214 323105335 /nfs/dbraw/zinc/10/53/35/323105335.db2.gz LIDMSJBCFUYLFA-OAHLLOKOSA-N 2 1 248.370 1.971 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000310038607 323127509 /nfs/dbraw/zinc/12/75/09/323127509.db2.gz WGJDDBRAMBIJSW-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000310038607 323127510 /nfs/dbraw/zinc/12/75/10/323127510.db2.gz WGJDDBRAMBIJSW-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([N@H+]2CCC[C@@]3(CCOC3)C2)C1 ZINC000563550487 323129945 /nfs/dbraw/zinc/12/99/45/323129945.db2.gz ZZLVZLJMRMCSGH-HZSPNIEDSA-N 2 1 238.375 1.759 20 0 BDADMP CCC[C@@H]1CCCC[N@H+]1C[C@H](O)CN(C)CC ZINC000310391820 323130918 /nfs/dbraw/zinc/13/09/18/323130918.db2.gz LDBXPCXUBMPYDC-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000310391820 323130919 /nfs/dbraw/zinc/13/09/19/323130919.db2.gz LDBXPCXUBMPYDC-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000310391820 323130920 /nfs/dbraw/zinc/13/09/20/323130920.db2.gz LDBXPCXUBMPYDC-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000310391820 323130921 /nfs/dbraw/zinc/13/09/21/323130921.db2.gz LDBXPCXUBMPYDC-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000310391820 323130922 /nfs/dbraw/zinc/13/09/22/323130922.db2.gz LDBXPCXUBMPYDC-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000305064676 323166949 /nfs/dbraw/zinc/16/69/49/323166949.db2.gz HMNYCHOQBYGULE-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000305064676 323166950 /nfs/dbraw/zinc/16/69/50/323166950.db2.gz HMNYCHOQBYGULE-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305064676 323166951 /nfs/dbraw/zinc/16/69/51/323166951.db2.gz HMNYCHOQBYGULE-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000398566650 323186741 /nfs/dbraw/zinc/18/67/41/323186741.db2.gz DSOIASNLXATGBD-REWJHTLYSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000395120049 323187835 /nfs/dbraw/zinc/18/78/35/323187835.db2.gz GHAXBXIBFPAYCJ-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000532208076 323209724 /nfs/dbraw/zinc/20/97/24/323209724.db2.gz HXUSPCWQAHRVJE-SWLSCSKDSA-N 2 1 248.370 1.609 20 0 BDADMP CN(C)c1cccnc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000571894802 323500528 /nfs/dbraw/zinc/50/05/28/323500528.db2.gz LFFJLDVPLQQIKE-RYUDHWBXSA-N 2 1 248.374 1.507 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453094067 324142889 /nfs/dbraw/zinc/14/28/89/324142889.db2.gz GKZAKZLNVHUECQ-KBPBESRZSA-N 2 1 240.391 1.467 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1cccc2c[nH]nc21 ZINC000564312933 325323428 /nfs/dbraw/zinc/32/34/28/325323428.db2.gz LDRJXIKCDYCVLP-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000564312933 325323430 /nfs/dbraw/zinc/32/34/30/325323430.db2.gz LDRJXIKCDYCVLP-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000565214572 325876984 /nfs/dbraw/zinc/87/69/84/325876984.db2.gz HOSRIQKYJCMFTI-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]([NH2+]CCc1cc(C)no1)[C@@H]1CCC[NH2+]1 ZINC000566088749 325992291 /nfs/dbraw/zinc/99/22/91/325992291.db2.gz HBZOIGRWTWUNGT-OLZOCXBDSA-N 2 1 237.347 1.646 20 0 BDADMP CCCCNC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566411894 326041007 /nfs/dbraw/zinc/04/10/07/326041007.db2.gz MSQJWVGNFLCSCG-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000566678678 326073622 /nfs/dbraw/zinc/07/36/22/326073622.db2.gz HUTUVBAVGQGXMM-NEPJUHHUSA-N 2 1 235.331 1.496 20 0 BDADMP C[N@H+]1CCC[C@]2(CCN(Cc3cnccn3)C2)C1 ZINC000566959576 326096754 /nfs/dbraw/zinc/09/67/54/326096754.db2.gz ZWGUBDGPRYXMRQ-AWEZNQCLSA-N 2 1 246.358 1.394 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000310475965 326193701 /nfs/dbraw/zinc/19/37/01/326193701.db2.gz BUPDBIPMOPJHKE-RFGFWPKPSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000310475965 326193704 /nfs/dbraw/zinc/19/37/04/326193704.db2.gz BUPDBIPMOPJHKE-RFGFWPKPSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000310475965 326193706 /nfs/dbraw/zinc/19/37/06/326193706.db2.gz BUPDBIPMOPJHKE-RFGFWPKPSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000310475965 326193709 /nfs/dbraw/zinc/19/37/09/326193709.db2.gz BUPDBIPMOPJHKE-RFGFWPKPSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCn2ccnc2)[C@H](C)C1 ZINC000155670669 326206250 /nfs/dbraw/zinc/20/62/50/326206250.db2.gz RNZNXMYGKCKTEQ-OLZOCXBDSA-N 2 1 236.363 1.203 20 0 BDADMP CC(C)[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000567852019 326270654 /nfs/dbraw/zinc/27/06/54/326270654.db2.gz HMTVCYPMEZCGLX-QMMMGPOBSA-N 2 1 224.308 1.453 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccsc2C1 ZINC000568050226 326300639 /nfs/dbraw/zinc/30/06/39/326300639.db2.gz SQBPYCLPLMBEAU-LBPRGKRZSA-N 2 1 240.372 1.077 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2ccsc2C1 ZINC000568050226 326300642 /nfs/dbraw/zinc/30/06/42/326300642.db2.gz SQBPYCLPLMBEAU-LBPRGKRZSA-N 2 1 240.372 1.077 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000158915804 326346138 /nfs/dbraw/zinc/34/61/38/326346138.db2.gz BGXGHNSZHSOVAP-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP COC[C@H](C)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000568473303 326358499 /nfs/dbraw/zinc/35/84/99/326358499.db2.gz VLDQOKNZKGINMO-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP COC[C@H](C)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000568473303 326358501 /nfs/dbraw/zinc/35/85/01/326358501.db2.gz VLDQOKNZKGINMO-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CCc1cc(N[C@@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC000084082124 487996397 /nfs/dbraw/zinc/99/63/97/487996397.db2.gz RCCDZEUDEPIVFX-SNVBAGLBSA-N 2 1 206.293 1.121 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000488333625 533714477 /nfs/dbraw/zinc/71/44/77/533714477.db2.gz OUBMOWAWBDDWAS-DGCLKSJQSA-N 2 1 210.365 1.916 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccsc2)C1 ZINC000235709301 488010995 /nfs/dbraw/zinc/01/09/95/488010995.db2.gz SYRNWKRAJRAZSN-LLVKDONJSA-N 2 1 210.346 1.919 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000663508789 488055052 /nfs/dbraw/zinc/05/50/52/488055052.db2.gz DRUDLQXRVHNIQI-GFCCVEGCSA-N 2 1 240.391 1.923 20 0 BDADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CC2)CC1 ZINC000221854371 488062595 /nfs/dbraw/zinc/06/25/95/488062595.db2.gz OTBGYJCOXWMEAQ-ZDUSSCGKSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000121056242 490074655 /nfs/dbraw/zinc/07/46/55/490074655.db2.gz ACBLEKYSOAQDEA-UONOGXRCSA-N 2 1 240.391 1.423 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000257703302 488084617 /nfs/dbraw/zinc/08/46/17/488084617.db2.gz QPTCCCWZMYXFTH-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000257703302 488084624 /nfs/dbraw/zinc/08/46/24/488084624.db2.gz QPTCCCWZMYXFTH-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP c1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccn1 ZINC000148384476 488098289 /nfs/dbraw/zinc/09/82/89/488098289.db2.gz TTXFSGKQQVSWOC-UHFFFAOYSA-N 2 1 231.343 1.798 20 0 BDADMP c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccn1 ZINC000148384476 488098294 /nfs/dbraw/zinc/09/82/94/488098294.db2.gz TTXFSGKQQVSWOC-UHFFFAOYSA-N 2 1 231.343 1.798 20 0 BDADMP CC[C@]1([NH2+]CCCn2cc[nH+]c2C)CCOC1 ZINC000683040607 488102884 /nfs/dbraw/zinc/10/28/84/488102884.db2.gz CPXPHQWBPXMOSU-ZDUSSCGKSA-N 2 1 237.347 1.740 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667768838 488115108 /nfs/dbraw/zinc/11/51/08/488115108.db2.gz BJZWFEBZYIHVDV-OLZOCXBDSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1C1CC1)C1CC1 ZINC000685562395 487545022 /nfs/dbraw/zinc/54/50/22/487545022.db2.gz CKSLWCLFCUTMBO-UONOGXRCSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1C1CC1)C1CC1 ZINC000685562395 487545032 /nfs/dbraw/zinc/54/50/32/487545032.db2.gz CKSLWCLFCUTMBO-UONOGXRCSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CC1)C1CC1 ZINC000685562395 487545036 /nfs/dbraw/zinc/54/50/36/487545036.db2.gz CKSLWCLFCUTMBO-UONOGXRCSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1C1CC1)C1CC1 ZINC000685562395 487545045 /nfs/dbraw/zinc/54/50/45/487545045.db2.gz CKSLWCLFCUTMBO-UONOGXRCSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCCOC1 ZINC000674301349 487552962 /nfs/dbraw/zinc/55/29/62/487552962.db2.gz ATRFVRKKGGZQGT-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCOC1 ZINC000674301349 487552966 /nfs/dbraw/zinc/55/29/66/487552966.db2.gz ATRFVRKKGGZQGT-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCOC1 ZINC000674301349 487552972 /nfs/dbraw/zinc/55/29/72/487552972.db2.gz ATRFVRKKGGZQGT-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)CC1CC[NH2+]CC1 ZINC000086701874 487532908 /nfs/dbraw/zinc/53/29/08/487532908.db2.gz IGXWMRDLULNTGC-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000086701918 487532926 /nfs/dbraw/zinc/53/29/26/487532926.db2.gz MQAUNCGFVOKJBD-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380970665 487492163 /nfs/dbraw/zinc/49/21/63/487492163.db2.gz AJCQJQXYOZSLHL-STQMWFEESA-N 2 1 226.364 1.474 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000380976011 487492462 /nfs/dbraw/zinc/49/24/62/487492462.db2.gz BLDUSYGWDFCFBR-STQMWFEESA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000380976011 487492465 /nfs/dbraw/zinc/49/24/65/487492465.db2.gz BLDUSYGWDFCFBR-STQMWFEESA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000380976011 487492470 /nfs/dbraw/zinc/49/24/70/487492470.db2.gz BLDUSYGWDFCFBR-STQMWFEESA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000381070529 487494485 /nfs/dbraw/zinc/49/44/85/487494485.db2.gz ODOVMOSXVAJKIG-OLZOCXBDSA-N 2 1 230.396 1.665 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000381070529 487494487 /nfs/dbraw/zinc/49/44/87/487494487.db2.gz ODOVMOSXVAJKIG-OLZOCXBDSA-N 2 1 230.396 1.665 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000381070529 487494490 /nfs/dbraw/zinc/49/44/90/487494490.db2.gz ODOVMOSXVAJKIG-OLZOCXBDSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)C ZINC000381076397 487494824 /nfs/dbraw/zinc/49/48/24/487494824.db2.gz QDYXYRVERLXMME-GFCCVEGCSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)C ZINC000381076397 487494831 /nfs/dbraw/zinc/49/48/31/487494831.db2.gz QDYXYRVERLXMME-GFCCVEGCSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)C ZINC000381076397 487494841 /nfs/dbraw/zinc/49/48/41/487494841.db2.gz QDYXYRVERLXMME-GFCCVEGCSA-N 2 1 230.396 1.665 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274255 487522754 /nfs/dbraw/zinc/52/27/54/487522754.db2.gz SJONQBIKAPVXBY-OLZOCXBDSA-N 2 1 249.358 1.805 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000310489546 488032993 /nfs/dbraw/zinc/03/29/93/488032993.db2.gz FPGXFQRPQBHHPO-MJBXVCDLSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000310489546 488032994 /nfs/dbraw/zinc/03/29/94/488032994.db2.gz FPGXFQRPQBHHPO-MJBXVCDLSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000310489546 488032995 /nfs/dbraw/zinc/03/29/95/488032995.db2.gz FPGXFQRPQBHHPO-MJBXVCDLSA-N 2 1 242.407 1.808 20 0 BDADMP Cc1[nH+]c2c(n1Cc1cncn1C)CCCC2 ZINC000160734214 488154530 /nfs/dbraw/zinc/15/45/30/488154530.db2.gz DFVKFWUTVCSKEW-UHFFFAOYSA-N 2 1 230.315 1.852 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000379920924 488158519 /nfs/dbraw/zinc/15/85/19/488158519.db2.gz QNWCNNYQSVTZPF-MJBXVCDLSA-N 2 1 242.407 1.950 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657878757 488159863 /nfs/dbraw/zinc/15/98/63/488159863.db2.gz ZPUCHJRIRRQVDS-OLZOCXBDSA-N 2 1 248.374 1.649 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657878757 488159865 /nfs/dbraw/zinc/15/98/65/488159865.db2.gz ZPUCHJRIRRQVDS-OLZOCXBDSA-N 2 1 248.374 1.649 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657876590 488159962 /nfs/dbraw/zinc/15/99/62/488159962.db2.gz XZXMAQYRNSRQQZ-QNWHQSFQSA-N 2 1 240.391 1.323 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](O)C1CC1 ZINC000678078390 488192934 /nfs/dbraw/zinc/19/29/34/488192934.db2.gz YFMNHFXIYORCQM-CHWSQXEVSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H](O)C1CC1 ZINC000678078390 488192936 /nfs/dbraw/zinc/19/29/36/488192936.db2.gz YFMNHFXIYORCQM-CHWSQXEVSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H](O)C1CC1 ZINC000678078390 488192939 /nfs/dbraw/zinc/19/29/39/488192939.db2.gz YFMNHFXIYORCQM-CHWSQXEVSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678342991 488243533 /nfs/dbraw/zinc/24/35/33/488243533.db2.gz KBNCVOKDRLPLPQ-GHMZBOCLSA-N 2 1 248.374 1.358 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679128210 488311307 /nfs/dbraw/zinc/31/13/07/488311307.db2.gz NCGSEAMVUAVTCP-GRYCIOLGSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679128210 488311310 /nfs/dbraw/zinc/31/13/10/488311310.db2.gz NCGSEAMVUAVTCP-GRYCIOLGSA-N 2 1 214.353 1.220 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049709343 488315962 /nfs/dbraw/zinc/31/59/62/488315962.db2.gz TVJQODNBKXKMBG-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP COCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000684573887 488328149 /nfs/dbraw/zinc/32/81/49/488328149.db2.gz HGULRSXQTOZFIL-UHFFFAOYSA-N 2 1 249.358 1.630 20 0 BDADMP C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668243809 490049039 /nfs/dbraw/zinc/04/90/39/490049039.db2.gz JOSVUQGYPXUJSP-VXGBXAGGSA-N 2 1 249.358 1.280 20 0 BDADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CCC[NH2+]C1 ZINC000666814068 490097288 /nfs/dbraw/zinc/09/72/88/490097288.db2.gz APDICWFJLYVNBJ-OLZOCXBDSA-N 2 1 246.354 1.894 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000517731008 490144616 /nfs/dbraw/zinc/14/46/16/490144616.db2.gz ZXDUTONVOWBXME-KBPBESRZSA-N 2 1 234.343 1.973 20 0 BDADMP C[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000070851780 490241486 /nfs/dbraw/zinc/24/14/86/490241486.db2.gz UWDBZORRRXSJSV-WDEREUQCSA-N 2 1 242.388 1.191 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+](C)[C@@H](C[NH3+])C2CC2)O1 ZINC000126565854 490244940 /nfs/dbraw/zinc/24/49/40/490244940.db2.gz BDHXPGRNKLXTBL-JLLWLGSASA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H](C[NH3+])C2CC2)O1 ZINC000126565854 490244942 /nfs/dbraw/zinc/24/49/42/490244942.db2.gz BDHXPGRNKLXTBL-JLLWLGSASA-N 2 1 212.337 1.223 20 0 BDADMP C([NH2+]C[C@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000228554430 490291340 /nfs/dbraw/zinc/29/13/40/490291340.db2.gz RUTHAICUCNWNGL-GHMZBOCLSA-N 2 1 214.378 1.471 20 0 BDADMP Cc1cc(C)cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313362369 490303588 /nfs/dbraw/zinc/30/35/88/490303588.db2.gz VGQNKWMUJLVUGW-HNNXBMFYSA-N 2 1 248.370 1.853 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)CC[N@H+]1C ZINC000130261143 490349546 /nfs/dbraw/zinc/34/95/46/490349546.db2.gz DEHGQQMMXMBRIL-WCQYABFASA-N 2 1 234.343 1.965 20 0 BDADMP COCc1ccc(C[N@@H+](C)CC2CN(C)C2)cc1 ZINC000668539796 490357775 /nfs/dbraw/zinc/35/77/75/490357775.db2.gz MUFRTXZMENXEFU-UHFFFAOYSA-N 2 1 248.370 1.826 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCS[C@@H]2C)CC1 ZINC000220512916 490604386 /nfs/dbraw/zinc/60/43/86/490604386.db2.gz XKTKUAUOLUJJGF-ZYHUDNBSSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000228201130 491091668 /nfs/dbraw/zinc/09/16/68/491091668.db2.gz LMAWHYNLKLPDIC-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000228201130 491091670 /nfs/dbraw/zinc/09/16/70/491091670.db2.gz LMAWHYNLKLPDIC-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000228201130 491091672 /nfs/dbraw/zinc/09/16/72/491091672.db2.gz LMAWHYNLKLPDIC-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C[C@H]1C ZINC000414982966 491115750 /nfs/dbraw/zinc/11/57/50/491115750.db2.gz ZOQGQPBEQUMPGM-YIYPIFLZSA-N 2 1 239.407 1.304 20 0 BDADMP C[N@H+]1CCCC[C@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322372 491124404 /nfs/dbraw/zinc/12/44/04/491124404.db2.gz WEHLWPKLUSTSML-MJBXVCDLSA-N 2 1 237.391 1.012 20 0 BDADMP COc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320242 491124418 /nfs/dbraw/zinc/12/44/18/491124418.db2.gz BYFXGFBHTNRQBY-STQMWFEESA-N 2 1 232.327 1.346 20 0 BDADMP C[C@H]([NH2+]CCc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000400391150 533875615 /nfs/dbraw/zinc/87/56/15/533875615.db2.gz NHXSRVPBVKJMPP-AAEUAGOBSA-N 2 1 219.332 1.354 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CCC[NH2+]1 ZINC000400446950 533909039 /nfs/dbraw/zinc/90/90/39/533909039.db2.gz PUNQFUSZSLRREC-WRWGMCAJSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CCO ZINC000779346233 582668390 /nfs/dbraw/zinc/66/83/90/582668390.db2.gz FZTJVMHDGPIRMX-LLVKDONJSA-N 2 1 225.336 1.332 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400597661 534032943 /nfs/dbraw/zinc/03/29/43/534032943.db2.gz DBCDWXPLOVPMTO-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP CCc1nc(N2C[C@@H](C[NH3+])C[C@H]2C)cc(C)[nH+]1 ZINC000261560135 536126460 /nfs/dbraw/zinc/12/64/60/536126460.db2.gz UFOFGMXVHDDOKP-GHMZBOCLSA-N 2 1 234.347 1.521 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000336120968 536137873 /nfs/dbraw/zinc/13/78/73/536137873.db2.gz GRXLJLRHXGXXKA-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(C[C@@]3(C)CC[NH2+]C3)[C@@H]2C1 ZINC000262092258 536463782 /nfs/dbraw/zinc/46/37/82/536463782.db2.gz UXJHUWIMMREQEG-MCIONIFRSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH2+]C[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000040602368 536465558 /nfs/dbraw/zinc/46/55/58/536465558.db2.gz ASABNWYENKQNBV-GFCCVEGCSA-N 2 1 234.347 1.529 20 0 BDADMP C[N@H+](Cc1cccc2ccccc21)C[C@@H](O)C[NH3+] ZINC000259115947 536477360 /nfs/dbraw/zinc/47/73/60/536477360.db2.gz SUONAFSMSXPWAI-AWEZNQCLSA-N 2 1 244.338 1.591 20 0 BDADMP COC(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000220939802 536506908 /nfs/dbraw/zinc/50/69/08/536506908.db2.gz XYZZUAAJQZOZGK-NWDGAFQWSA-N 2 1 242.363 1.021 20 0 BDADMP COC(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000220939802 536506917 /nfs/dbraw/zinc/50/69/17/536506917.db2.gz XYZZUAAJQZOZGK-NWDGAFQWSA-N 2 1 242.363 1.021 20 0 BDADMP COC(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000220939802 536506924 /nfs/dbraw/zinc/50/69/24/536506924.db2.gz XYZZUAAJQZOZGK-NWDGAFQWSA-N 2 1 242.363 1.021 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCOC1 ZINC000308616606 527079871 /nfs/dbraw/zinc/07/98/71/527079871.db2.gz YQVVCIBJWYOSEK-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173601058 536524560 /nfs/dbraw/zinc/52/45/60/536524560.db2.gz OCPOSKNVEZFTKM-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400556727 528610424 /nfs/dbraw/zinc/61/04/24/528610424.db2.gz ZITQUOATPPWHIB-RYUDHWBXSA-N 2 1 214.353 1.533 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000400363632 529248666 /nfs/dbraw/zinc/24/86/66/529248666.db2.gz DAQJVEJBKFFXER-LOWDOPEQSA-N 2 1 228.380 1.778 20 0 BDADMP CC[C@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000479968677 529318140 /nfs/dbraw/zinc/31/81/40/529318140.db2.gz ZGVJIBLVZMDXFN-FQUUOJAGSA-N 2 1 238.375 1.343 20 0 BDADMP CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261552148 535186077 /nfs/dbraw/zinc/18/60/77/535186077.db2.gz QZIOQVCBIGPNBK-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC2(C1)CCOCC2 ZINC000261538950 535197634 /nfs/dbraw/zinc/19/76/34/535197634.db2.gz ZZCDGAYZGOWRPP-UHFFFAOYSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000258691720 535209674 /nfs/dbraw/zinc/20/96/74/535209674.db2.gz BOGVAGZNUHYTDM-UHFFFAOYSA-N 2 1 236.315 1.285 20 0 BDADMP CCCC[NH+](C)CC(O)C[N@H+](C)CCCC ZINC000181767834 535211887 /nfs/dbraw/zinc/21/18/87/535211887.db2.gz QSKBHRSCWNEJLW-UHFFFAOYSA-N 2 1 230.396 1.811 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000174214280 535597318 /nfs/dbraw/zinc/59/73/18/535597318.db2.gz CMIVFZVIOABZGP-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000071293027 535625677 /nfs/dbraw/zinc/62/56/77/535625677.db2.gz DVRCVAPCTSMABA-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000071293027 535625682 /nfs/dbraw/zinc/62/56/82/535625682.db2.gz DVRCVAPCTSMABA-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252545849 535653944 /nfs/dbraw/zinc/65/39/44/535653944.db2.gz JWXORPAGYHJDLJ-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252545849 535653945 /nfs/dbraw/zinc/65/39/45/535653945.db2.gz JWXORPAGYHJDLJ-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP CCS[C@H]1CCCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261535359 535724958 /nfs/dbraw/zinc/72/49/58/535724958.db2.gz OGZGUJBFNIAYER-MNOVXSKESA-N 2 1 216.394 1.941 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@H](C)O ZINC000352185361 535728218 /nfs/dbraw/zinc/72/82/18/535728218.db2.gz BWQOQRQNQMDKAT-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@H](C)O ZINC000352185361 535728221 /nfs/dbraw/zinc/72/82/21/535728221.db2.gz BWQOQRQNQMDKAT-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@@H](C)C1 ZINC000222066888 535769096 /nfs/dbraw/zinc/76/90/96/535769096.db2.gz KCKGXXFGOCIMOI-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000168563202 536343472 /nfs/dbraw/zinc/34/34/72/536343472.db2.gz YCMKPNMVPLRWNA-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](O)C2)CC1 ZINC000226326942 536344528 /nfs/dbraw/zinc/34/45/28/536344528.db2.gz VKCCROOFUYKKBO-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348148507 536370435 /nfs/dbraw/zinc/37/04/35/536370435.db2.gz IOGQOOWDSSKADR-BFHYXJOUSA-N 2 1 240.391 1.611 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[N@@H+]1C)C2 ZINC000248881129 536375028 /nfs/dbraw/zinc/37/50/28/536375028.db2.gz KPVJYQLYUFYEDH-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248881129 536375029 /nfs/dbraw/zinc/37/50/29/536375029.db2.gz KPVJYQLYUFYEDH-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248881129 536375031 /nfs/dbraw/zinc/37/50/31/536375031.db2.gz KPVJYQLYUFYEDH-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248881129 536375034 /nfs/dbraw/zinc/37/50/34/536375034.db2.gz KPVJYQLYUFYEDH-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248881129 536375035 /nfs/dbraw/zinc/37/50/35/536375035.db2.gz KPVJYQLYUFYEDH-WTUNAVPPSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261530832 536412276 /nfs/dbraw/zinc/41/22/76/536412276.db2.gz DGHJGBNOKDFKNO-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261530832 536412279 /nfs/dbraw/zinc/41/22/79/536412279.db2.gz DGHJGBNOKDFKNO-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@H]1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001172929561 974979516 /nfs/dbraw/zinc/97/95/16/974979516.db2.gz FYCBPKSZHFBJAL-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000381199525 582706634 /nfs/dbraw/zinc/70/66/34/582706634.db2.gz ATJRVYKMEZLMFT-STQMWFEESA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000381199525 582706637 /nfs/dbraw/zinc/70/66/37/582706637.db2.gz ATJRVYKMEZLMFT-STQMWFEESA-N 2 1 226.364 1.077 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000849006068 582822450 /nfs/dbraw/zinc/82/24/50/582822450.db2.gz QFBRWHDHNFKGHA-LBPRGKRZSA-N 2 1 238.379 1.527 20 0 BDADMP CN(C)c1cc(NC[C@@H]2CCC[N@@H+](C)C2)ncn1 ZINC000892421871 582883661 /nfs/dbraw/zinc/88/36/61/582883661.db2.gz PPHMAEQHSKAICP-NSHDSACASA-N 2 1 249.362 1.296 20 0 BDADMP CC[C@@H](C[NH+]1CCCC1)Nc1nc(N)cc(C)[nH+]1 ZINC000892558727 582913819 /nfs/dbraw/zinc/91/38/19/582913819.db2.gz CYPFTUXTWRAAKD-NSHDSACASA-N 2 1 249.362 1.654 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000892674214 582948549 /nfs/dbraw/zinc/94/85/49/582948549.db2.gz UJDVWNLLAOXFSE-ZJUUUORDSA-N 2 1 235.335 1.262 20 0 BDADMP Cc1cc(N)nc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[nH+]1 ZINC000892874711 583001156 /nfs/dbraw/zinc/00/11/56/583001156.db2.gz AKNVCDXJNCDIID-ZJUUUORDSA-N 2 1 247.346 1.404 20 0 BDADMP Cc1cc(N)nc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)[nH+]1 ZINC000892874711 583001158 /nfs/dbraw/zinc/00/11/58/583001158.db2.gz AKNVCDXJNCDIID-ZJUUUORDSA-N 2 1 247.346 1.404 20 0 BDADMP CCc1onc(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893305188 583095309 /nfs/dbraw/zinc/09/53/09/583095309.db2.gz SSKAZHOUTHGGRO-UHFFFAOYSA-N 2 1 249.358 1.897 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857087560 588887041 /nfs/dbraw/zinc/88/70/41/588887041.db2.gz UKRQEVATEPUGQP-KGLIPLIRSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857087560 588887042 /nfs/dbraw/zinc/88/70/42/588887042.db2.gz UKRQEVATEPUGQP-KGLIPLIRSA-N 2 1 239.407 1.709 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000857087560 588887044 /nfs/dbraw/zinc/88/70/44/588887044.db2.gz UKRQEVATEPUGQP-KGLIPLIRSA-N 2 1 239.407 1.709 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000857087560 588887045 /nfs/dbraw/zinc/88/70/45/588887045.db2.gz UKRQEVATEPUGQP-KGLIPLIRSA-N 2 1 239.407 1.709 20 0 BDADMP Cc1ncoc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000894093146 583299760 /nfs/dbraw/zinc/29/97/60/583299760.db2.gz CWSQUFGFUUPQCZ-STQMWFEESA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000894093146 583299762 /nfs/dbraw/zinc/29/97/62/583299762.db2.gz CWSQUFGFUUPQCZ-STQMWFEESA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000894093146 583299765 /nfs/dbraw/zinc/29/97/65/583299765.db2.gz CWSQUFGFUUPQCZ-STQMWFEESA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000894093146 583299766 /nfs/dbraw/zinc/29/97/66/583299766.db2.gz CWSQUFGFUUPQCZ-STQMWFEESA-N 2 1 249.358 1.899 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCO3)CC[C@@H]21 ZINC000877742091 583345841 /nfs/dbraw/zinc/34/58/41/583345841.db2.gz OKONTYMDENYIAI-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)CC[C@@H]21 ZINC000877742091 583345844 /nfs/dbraw/zinc/34/58/44/583345844.db2.gz OKONTYMDENYIAI-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)CC[C@@H]21 ZINC000877742091 583345848 /nfs/dbraw/zinc/34/58/48/583345848.db2.gz OKONTYMDENYIAI-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000894568718 583484742 /nfs/dbraw/zinc/48/47/42/583484742.db2.gz NMFGQZXOSUANIK-CQSZACIVSA-N 2 1 248.374 1.472 20 0 BDADMP CC[N@@H+](C[C@H](C)OC)CC1CC[NH+](C)CC1 ZINC000894577410 583487326 /nfs/dbraw/zinc/48/73/26/583487326.db2.gz VWMAQEHCTCTDPA-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP OCC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH]cn1 ZINC000894664838 583502018 /nfs/dbraw/zinc/50/20/18/583502018.db2.gz SZHIMGGHFXAOGQ-CYBMUJFWSA-N 2 1 245.326 1.493 20 0 BDADMP CC(C)[N@@H+](CC1CC[NH+](C)CC1)C1COC1 ZINC000894659298 583504471 /nfs/dbraw/zinc/50/44/71/583504471.db2.gz QPLUCPVGBOBMQE-UHFFFAOYSA-N 2 1 226.364 1.437 20 0 BDADMP CS[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894691664 583507555 /nfs/dbraw/zinc/50/75/55/583507555.db2.gz APGIHFDCRJUOFY-LBPRGKRZSA-N 2 1 228.405 1.766 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3CO)CC[C@H]21 ZINC000895022066 583569466 /nfs/dbraw/zinc/56/94/66/583569466.db2.gz JYDGGGJQCVRBSZ-DGCLKSJQSA-N 2 1 247.342 1.104 20 0 BDADMP C[N@H+](CCc1nccs1)C[C@H]1CC[NH2+]C1 ZINC000647990309 583582398 /nfs/dbraw/zinc/58/23/98/583582398.db2.gz OEIMSGRGHPDQIX-JTQLQIEISA-N 2 1 225.361 1.227 20 0 BDADMP C[N@@H+](CCc1nccs1)C[C@H]1CC[NH2+]C1 ZINC000647990309 583582399 /nfs/dbraw/zinc/58/23/99/583582399.db2.gz OEIMSGRGHPDQIX-JTQLQIEISA-N 2 1 225.361 1.227 20 0 BDADMP C[C@H](CC[NH2+]Cc1cnn2c1CCC2)[NH+](C)C ZINC000895291910 583637936 /nfs/dbraw/zinc/63/79/36/583637936.db2.gz JUGRSKQOWXMEIZ-LLVKDONJSA-N 2 1 236.363 1.259 20 0 BDADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cnc1F ZINC000895429394 583669031 /nfs/dbraw/zinc/66/90/31/583669031.db2.gz MIIZURVLAWYZIH-NSHDSACASA-N 2 1 239.338 1.959 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000895587295 583694366 /nfs/dbraw/zinc/69/43/66/583694366.db2.gz ODQXEUVDJAYESO-DGCLKSJQSA-N 2 1 242.363 1.260 20 0 BDADMP CCO[C@H](C[NH2+]C[C@@H]1CCC=CO1)C[NH+](C)C ZINC000896879532 583844891 /nfs/dbraw/zinc/84/48/91/583844891.db2.gz CWCHVTSQNZVDKY-QWHCGFSZSA-N 2 1 242.363 1.235 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000872141999 583948038 /nfs/dbraw/zinc/94/80/38/583948038.db2.gz FQJWYIJZMYLPSL-UHFFFAOYSA-N 2 1 249.358 1.724 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858367386 588949008 /nfs/dbraw/zinc/94/90/08/588949008.db2.gz NTOVRMRFYZEOES-GFCCVEGCSA-N 2 1 249.358 1.716 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000252465065 584011759 /nfs/dbraw/zinc/01/17/59/584011759.db2.gz UBMABSJWOXLOBW-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000252465065 584011762 /nfs/dbraw/zinc/01/17/62/584011762.db2.gz UBMABSJWOXLOBW-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C2CC2)CC[N@H+]1C ZINC000898200280 584099437 /nfs/dbraw/zinc/09/94/37/584099437.db2.gz VOFOYVRPXZQXPU-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000873282962 584129157 /nfs/dbraw/zinc/12/91/57/584129157.db2.gz XTGNDZYTPBMHNP-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP OCc1cc(N[C@@H]2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000858490791 588960350 /nfs/dbraw/zinc/96/03/50/588960350.db2.gz ONQKAFUJKMXKBB-LLVKDONJSA-N 2 1 244.298 1.197 20 0 BDADMP C[C@@H](Cc1[nH]cc[nH+]1)OC[C@H]1CCCC[NH2+]C1 ZINC000899629478 584222036 /nfs/dbraw/zinc/22/20/36/584222036.db2.gz HYPUWNVMQRLUDU-RYUDHWBXSA-N 2 1 237.347 1.747 20 0 BDADMP C[C@H](CCC(F)(F)F)[NH2+]CC1([NH3+])CC1 ZINC000902407763 584574887 /nfs/dbraw/zinc/57/48/87/584574887.db2.gz UAMJCZLKJJVIET-SSDOTTSWSA-N 2 1 210.243 1.798 20 0 BDADMP COc1cccc2c1CC[C@H]([NH2+]CC1([NH3+])CC1)C2 ZINC000902404284 584589103 /nfs/dbraw/zinc/58/91/03/584589103.db2.gz DIXSVNVVZNJBJY-LBPRGKRZSA-N 2 1 246.354 1.633 20 0 BDADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902417521 584591289 /nfs/dbraw/zinc/59/12/89/584591289.db2.gz RXLZIWJTEMKOLS-SNVBAGLBSA-N 2 1 222.307 1.838 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000902418831 584591529 /nfs/dbraw/zinc/59/15/29/584591529.db2.gz ZTXCCXZPRQCHOE-GFCCVEGCSA-N 2 1 220.291 1.894 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429484 584595045 /nfs/dbraw/zinc/59/50/45/584595045.db2.gz LZYDCQCYVYWIGT-RFGFWPKPSA-N 2 1 240.391 1.658 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000902447593 584604565 /nfs/dbraw/zinc/60/45/65/584604565.db2.gz ZZPOEGGFWCIORF-NEPJUHHUSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902448560 584605429 /nfs/dbraw/zinc/60/54/29/584605429.db2.gz GNNAPCYBSNTHML-RAIGVLPGSA-N 2 1 237.391 1.057 20 0 BDADMP COC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C(C)C ZINC000902450857 584606964 /nfs/dbraw/zinc/60/69/64/584606964.db2.gz UVLJNQYJKSWTCD-QWRGUYRKSA-N 2 1 214.353 1.245 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C(C)C ZINC000902450854 584606737 /nfs/dbraw/zinc/60/67/37/584606737.db2.gz UVLJNQYJKSWTCD-GHMZBOCLSA-N 2 1 214.353 1.245 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000902461712 584611274 /nfs/dbraw/zinc/61/12/74/584611274.db2.gz QARFTRPXSBMDLF-MNOVXSKESA-N 2 1 236.363 1.416 20 0 BDADMP CC(C)N1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902490884 584618206 /nfs/dbraw/zinc/61/82/06/584618206.db2.gz XXHPCSMZJBFQGV-AULYBMBSSA-N 2 1 225.380 1.186 20 0 BDADMP O[C@H](CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000902506665 584621857 /nfs/dbraw/zinc/62/18/57/584621857.db2.gz ZLBWNWLSYJLICU-CHWSQXEVSA-N 2 1 238.375 1.412 20 0 BDADMP C[C@H]([NH2+]CC[C@@H](O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000902506271 584621993 /nfs/dbraw/zinc/62/19/93/584621993.db2.gz XSNZBUXUHDPWSE-WCFLWFBJSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@H]([NH2+]CC[C@H](O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000902506268 584622126 /nfs/dbraw/zinc/62/21/26/584622126.db2.gz XSNZBUXUHDPWSE-UHTWSYAYSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCCCC[NH2+]2)CC[N@H+]1C ZINC000902481203 584622928 /nfs/dbraw/zinc/62/29/28/584622928.db2.gz BGTCMQOQECQYLX-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP Cl/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902521714 584631282 /nfs/dbraw/zinc/63/12/82/584631282.db2.gz SVEYRWCAOQFTSE-ZXLDSXMNSA-N 2 1 200.713 1.612 20 0 BDADMP CC[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902520842 584631385 /nfs/dbraw/zinc/63/13/85/584631385.db2.gz PMTAZZTUMIZRTA-XDQVBPFNSA-N 2 1 238.375 1.532 20 0 BDADMP Cc1cc(F)ncc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000902572801 584636622 /nfs/dbraw/zinc/63/66/22/584636622.db2.gz ZUPUHPDJMZUDEX-SNVBAGLBSA-N 2 1 239.338 1.816 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1OC)C[NH+](C)C ZINC000903224272 584738250 /nfs/dbraw/zinc/73/82/50/584738250.db2.gz SYZCZXFLWXNKAY-JHJVBQTASA-N 2 1 244.379 1.110 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000903300686 584743548 /nfs/dbraw/zinc/74/35/48/584743548.db2.gz LFVNRJNAQFLUTL-FRRDWIJNSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000903300686 584743549 /nfs/dbraw/zinc/74/35/49/584743549.db2.gz LFVNRJNAQFLUTL-FRRDWIJNSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000903300686 584743550 /nfs/dbraw/zinc/74/35/50/584743550.db2.gz LFVNRJNAQFLUTL-FRRDWIJNSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCN1C ZINC000903300686 584743551 /nfs/dbraw/zinc/74/35/51/584743551.db2.gz LFVNRJNAQFLUTL-FRRDWIJNSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCN1C ZINC000903300686 584743552 /nfs/dbraw/zinc/74/35/52/584743552.db2.gz LFVNRJNAQFLUTL-FRRDWIJNSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000903459851 584766423 /nfs/dbraw/zinc/76/64/23/584766423.db2.gz OVAVIKYQNSKGON-POQQGIQPSA-N 3 1 239.407 1.147 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000903459851 584766424 /nfs/dbraw/zinc/76/64/24/584766424.db2.gz OVAVIKYQNSKGON-POQQGIQPSA-N 3 1 239.407 1.147 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000903461208 584766653 /nfs/dbraw/zinc/76/66/53/584766653.db2.gz PJQVSGYPANJBFV-CRWXNKLISA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000903461208 584766655 /nfs/dbraw/zinc/76/66/55/584766655.db2.gz PJQVSGYPANJBFV-CRWXNKLISA-N 2 1 239.407 1.291 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903460012 584766888 /nfs/dbraw/zinc/76/68/88/584766888.db2.gz UDDYZIPCZCCHLO-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903460012 584766889 /nfs/dbraw/zinc/76/68/89/584766889.db2.gz UDDYZIPCZCCHLO-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903445066 584769774 /nfs/dbraw/zinc/76/97/74/584769774.db2.gz XRTTYKMIAIRAFR-MCIONIFRSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903447545 584770516 /nfs/dbraw/zinc/77/05/16/584770516.db2.gz XBMLHZYNVKDQRD-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(C)C ZINC000903454627 584773250 /nfs/dbraw/zinc/77/32/50/584773250.db2.gz GJFOYKUIKFDXMI-XDQVBPFNSA-N 2 1 242.407 1.881 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454414 584773718 /nfs/dbraw/zinc/77/37/18/584773718.db2.gz BOOMMDSWPMSUFG-LOWDOPEQSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)O1 ZINC000903470834 584775308 /nfs/dbraw/zinc/77/53/08/584775308.db2.gz DUUHPKSPKDGAKB-UTUOFQBUSA-N 2 1 224.348 1.428 20 0 BDADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)ccn1 ZINC000903471485 584775625 /nfs/dbraw/zinc/77/56/25/584775625.db2.gz SKXAQFHKCXQNTF-ZDUSSCGKSA-N 2 1 231.343 1.498 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903476661 584777444 /nfs/dbraw/zinc/77/74/44/584777444.db2.gz FETNTOWKGGYJKT-YNEHKIRRSA-N 2 1 225.380 1.317 20 0 BDADMP [NH3+][C@@H]1CC[C@H](CN2CCCCC[C@@H]([NH3+])C2)C1 ZINC000903476661 584777445 /nfs/dbraw/zinc/77/74/45/584777445.db2.gz FETNTOWKGGYJKT-YNEHKIRRSA-N 2 1 225.380 1.317 20 0 BDADMP CC1(C)CCNCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476264 584777636 /nfs/dbraw/zinc/77/76/36/584777636.db2.gz SOEVYTLJKMXEMZ-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP CC1(C)CC[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476264 584777638 /nfs/dbraw/zinc/77/76/38/584777638.db2.gz SOEVYTLJKMXEMZ-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000903479751 584778106 /nfs/dbraw/zinc/77/81/06/584778106.db2.gz XWCJCOSNLCKHRO-AEJSXWLSSA-N 2 1 234.290 1.080 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000903479752 584778143 /nfs/dbraw/zinc/77/81/43/584778143.db2.gz XWCJCOSNLCKHRO-IVZWLZJFSA-N 2 1 234.290 1.080 20 0 BDADMP [NH3+]CCCCCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000903483033 584778497 /nfs/dbraw/zinc/77/84/97/584778497.db2.gz BLVJTQFAEDLYDB-ZDUSSCGKSA-N 2 1 239.407 1.770 20 0 BDADMP C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000903483054 584778546 /nfs/dbraw/zinc/77/85/46/584778546.db2.gz BYOVMUOYABBPAL-QWHCGFSZSA-N 2 1 237.391 1.250 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCCCO1 ZINC000903482230 584778746 /nfs/dbraw/zinc/77/87/46/584778746.db2.gz ZOVDBRFZYFQYHN-CHWSQXEVSA-N 2 1 238.375 1.820 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)C[C@H]1CC[NH3+] ZINC000903499447 584780032 /nfs/dbraw/zinc/78/00/32/584780032.db2.gz VQIQKGFQILSXEA-ZYHUDNBSSA-N 2 1 249.358 1.969 20 0 BDADMP Cn1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903564446 584782012 /nfs/dbraw/zinc/78/20/12/584782012.db2.gz VESXEJAJHDNAAO-CHWSQXEVSA-N 2 1 248.374 1.209 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903748830 584794608 /nfs/dbraw/zinc/79/46/08/584794608.db2.gz BCWUTYQMIGPOCZ-TYUFSLCMSA-N 2 1 208.349 1.716 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903748824 584794667 /nfs/dbraw/zinc/79/46/67/584794667.db2.gz BCWUTYQMIGPOCZ-FIYWTHMPSA-N 2 1 208.349 1.716 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903748828 584794686 /nfs/dbraw/zinc/79/46/86/584794686.db2.gz BCWUTYQMIGPOCZ-TUUUFIMRSA-N 2 1 208.349 1.716 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734083 584796063 /nfs/dbraw/zinc/79/60/63/584796063.db2.gz UYLQLMWGOYOFDU-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP CCC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903756363 584798655 /nfs/dbraw/zinc/79/86/55/584798655.db2.gz QLPHEFCLFNAFRT-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](CCCF)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784224 584800059 /nfs/dbraw/zinc/80/00/59/584800059.db2.gz LXUXCRAZVARDHB-NWDGAFQWSA-N 2 1 230.327 1.046 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903831618 584806008 /nfs/dbraw/zinc/80/60/08/584806008.db2.gz LGWIDRSDFIZPEY-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1CCOCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903833370 584806219 /nfs/dbraw/zinc/80/62/19/584806219.db2.gz VAQWXEMMEFFOTO-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903855411 584809049 /nfs/dbraw/zinc/80/90/49/584809049.db2.gz MTLRVTHZVUXTGA-KBPBESRZSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855411 584809050 /nfs/dbraw/zinc/80/90/50/584809050.db2.gz MTLRVTHZVUXTGA-KBPBESRZSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855411 584809051 /nfs/dbraw/zinc/80/90/51/584809051.db2.gz MTLRVTHZVUXTGA-KBPBESRZSA-N 2 1 240.391 1.862 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2CC[C@@H]1CCCO1 ZINC000903856545 584809180 /nfs/dbraw/zinc/80/91/80/584809180.db2.gz ABOKYPBBFDCKFI-RWMBFGLXSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC[C@@H]1CCCO1 ZINC000903856545 584809181 /nfs/dbraw/zinc/80/91/81/584809181.db2.gz ABOKYPBBFDCKFI-RWMBFGLXSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC[C@@H]1CCCO1 ZINC000903856545 584809182 /nfs/dbraw/zinc/80/91/82/584809182.db2.gz ABOKYPBBFDCKFI-RWMBFGLXSA-N 2 1 224.348 1.369 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000903857944 584810291 /nfs/dbraw/zinc/81/02/91/584810291.db2.gz GXKZYHDUBMWFCZ-HZSPNIEDSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000903857944 584810293 /nfs/dbraw/zinc/81/02/93/584810293.db2.gz GXKZYHDUBMWFCZ-HZSPNIEDSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000903857944 584810295 /nfs/dbraw/zinc/81/02/95/584810295.db2.gz GXKZYHDUBMWFCZ-HZSPNIEDSA-N 3 1 237.391 1.189 20 0 BDADMP CCOCCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857985 584810430 /nfs/dbraw/zinc/81/04/30/584810430.db2.gz XDBTYOVOZABXMR-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857985 584810431 /nfs/dbraw/zinc/81/04/31/584810431.db2.gz XDBTYOVOZABXMR-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1CCCCO1 ZINC000903861175 584811996 /nfs/dbraw/zinc/81/19/96/584811996.db2.gz WAKYMPGFNSXWEO-YNEHKIRRSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H]1CCCCO1 ZINC000903861175 584811997 /nfs/dbraw/zinc/81/19/97/584811997.db2.gz WAKYMPGFNSXWEO-YNEHKIRRSA-N 2 1 224.348 1.369 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903860985 584812096 /nfs/dbraw/zinc/81/20/96/584812096.db2.gz VERDMQJFKHRPRN-NDBYEHHHSA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903860985 584812097 /nfs/dbraw/zinc/81/20/97/584812097.db2.gz VERDMQJFKHRPRN-NDBYEHHHSA-N 2 1 224.348 1.225 20 0 BDADMP CCO[C@H](C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903860031 584812144 /nfs/dbraw/zinc/81/21/44/584812144.db2.gz QASRLUXJVGFWRI-MJBXVCDLSA-N 2 1 238.375 1.615 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903860031 584812145 /nfs/dbraw/zinc/81/21/45/584812145.db2.gz QASRLUXJVGFWRI-MJBXVCDLSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CO[C@H](C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903861272 584812662 /nfs/dbraw/zinc/81/26/62/584812662.db2.gz WTSOEJFAPMZLTR-MBNYWOFBSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903861272 584812664 /nfs/dbraw/zinc/81/26/64/584812664.db2.gz WTSOEJFAPMZLTR-MBNYWOFBSA-N 2 1 238.375 1.615 20 0 BDADMP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1CCCO1 ZINC000903870977 584814343 /nfs/dbraw/zinc/81/43/43/584814343.db2.gz QJGUDQINDQXXSB-QWHCGFSZSA-N 2 1 224.348 1.383 20 0 BDADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1CCCO1 ZINC000903870977 584814344 /nfs/dbraw/zinc/81/43/44/584814344.db2.gz QJGUDQINDQXXSB-QWHCGFSZSA-N 2 1 224.348 1.383 20 0 BDADMP C[C@]1(C2CC2)COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903881621 584817974 /nfs/dbraw/zinc/81/79/74/584817974.db2.gz HWFLEHIOVUJSLV-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@H]([NH3+])CC(F)F)CC[N@H+]1C ZINC000903895637 584819582 /nfs/dbraw/zinc/81/95/82/584819582.db2.gz PLBOLYHWQZNNJE-MXWKQRLJSA-N 2 1 249.349 1.383 20 0 BDADMP C[N@H+](Cc1ccon1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895040 584819810 /nfs/dbraw/zinc/81/98/10/584819810.db2.gz JXBDDANNGPDLNQ-YOGCLGLASA-N 2 1 235.331 1.637 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000903909609 584821776 /nfs/dbraw/zinc/82/17/76/584821776.db2.gz GJMSMSPGLFRCLH-GMTAPVOTSA-N 2 1 248.317 1.327 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000903909609 584821777 /nfs/dbraw/zinc/82/17/77/584821777.db2.gz GJMSMSPGLFRCLH-GMTAPVOTSA-N 2 1 248.317 1.327 20 0 BDADMP C[N@@H+](CCNC[C@@H]([NH3+])CC(F)F)C1CCCC1 ZINC000903923439 584823694 /nfs/dbraw/zinc/82/36/94/584823694.db2.gz UJCOHNMWQWABRS-JTQLQIEISA-N 2 1 249.349 1.433 20 0 BDADMP COC(=O)c1coc(C[NH2+]CCC(C)(C)[NH3+])c1 ZINC000903938848 584824448 /nfs/dbraw/zinc/82/44/48/584824448.db2.gz NDTLWCGTKQEPFS-UHFFFAOYSA-N 2 1 240.303 1.283 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)CN1 ZINC000903917952 584826875 /nfs/dbraw/zinc/82/68/75/584826875.db2.gz PFODJWTZDCXGRX-DUJLVANISA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C[NH2+]1 ZINC000903917952 584826877 /nfs/dbraw/zinc/82/68/77/584826877.db2.gz PFODJWTZDCXGRX-DUJLVANISA-N 2 1 237.391 1.199 20 0 BDADMP CC[N@H+]1CC[C@@H](NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000903939856 584829162 /nfs/dbraw/zinc/82/91/62/584829162.db2.gz PBGKLCBLCPDMDA-NWDGAFQWSA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000903939856 584829163 /nfs/dbraw/zinc/82/91/63/584829163.db2.gz PBGKLCBLCPDMDA-NWDGAFQWSA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000903939856 584829165 /nfs/dbraw/zinc/82/91/65/584829165.db2.gz PBGKLCBLCPDMDA-NWDGAFQWSA-N 3 1 227.396 1.434 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000903947636 584829323 /nfs/dbraw/zinc/82/93/23/584829323.db2.gz CYGQDKSERKFCNV-STQMWFEESA-N 3 1 239.407 1.720 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903953874 584831344 /nfs/dbraw/zinc/83/13/44/584831344.db2.gz MKFHUFDXDSLIOY-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903953874 584831345 /nfs/dbraw/zinc/83/13/45/584831345.db2.gz MKFHUFDXDSLIOY-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903953675 584831524 /nfs/dbraw/zinc/83/15/24/584831524.db2.gz IULBPTXIUVSATP-GMTAPVOTSA-N 2 1 248.317 1.470 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903953675 584831525 /nfs/dbraw/zinc/83/15/25/584831525.db2.gz IULBPTXIUVSATP-GMTAPVOTSA-N 2 1 248.317 1.470 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000903955022 584832197 /nfs/dbraw/zinc/83/21/97/584832197.db2.gz YHPZPGZWOQVYFU-QWRGUYRKSA-N 2 1 235.331 1.912 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955961 584832327 /nfs/dbraw/zinc/83/23/27/584832327.db2.gz DDTYMQYQDBCSMD-GMTAPVOTSA-N 3 1 247.333 1.091 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CCNCC[NH2+]C(C)(C)C ZINC000903978830 584833193 /nfs/dbraw/zinc/83/31/93/584833193.db2.gz MZJCVFFBYJWBFD-VXGBXAGGSA-N 2 1 227.396 1.210 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CCNC(C)(C)C ZINC000903978830 584833194 /nfs/dbraw/zinc/83/31/94/584833194.db2.gz MZJCVFFBYJWBFD-VXGBXAGGSA-N 2 1 227.396 1.210 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000903964543 584834084 /nfs/dbraw/zinc/83/40/84/584834084.db2.gz KZTDWSWIEZZWQC-PWSUYJOCSA-N 2 1 248.326 1.360 20 0 BDADMP CC1(C)C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N ZINC000903987098 584836194 /nfs/dbraw/zinc/83/61/94/584836194.db2.gz XROZPFATUJMOSR-PSEXLTFBSA-N 2 1 237.391 1.186 20 0 BDADMP CC1(C)CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000903987098 584836196 /nfs/dbraw/zinc/83/61/96/584836196.db2.gz XROZPFATUJMOSR-PSEXLTFBSA-N 2 1 237.391 1.186 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904300773 584861049 /nfs/dbraw/zinc/86/10/49/584861049.db2.gz ANZDJKFEYYBAGO-TUAOUCFPSA-N 3 1 213.369 1.029 20 0 BDADMP [NH3+][C@H]1C[C@@H](CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000904302609 584862159 /nfs/dbraw/zinc/86/21/59/584862159.db2.gz XECTYCMOVZAXME-BETUJISGSA-N 2 1 237.391 1.188 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000904307773 584862931 /nfs/dbraw/zinc/86/29/31/584862931.db2.gz WBIXKWLSSVFDQY-VHDGCEQUSA-N 2 1 246.354 1.797 20 0 BDADMP COCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904310086 584863092 /nfs/dbraw/zinc/86/30/92/584863092.db2.gz VYUSYHLUHQPTRY-TXEJJXNPSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320566 584864025 /nfs/dbraw/zinc/86/40/25/584864025.db2.gz LGJBSOMGEKHVPS-FPMFFAJLSA-N 2 1 248.370 1.992 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](CO)C(C)(C)C ZINC000904327020 584865311 /nfs/dbraw/zinc/86/53/11/584865311.db2.gz XCXPCCNXXKBYAZ-OUAUKWLOSA-N 2 1 214.353 1.063 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](OC(F)F)C2)C1 ZINC000904332878 584866009 /nfs/dbraw/zinc/86/60/09/584866009.db2.gz SEOAWXQHHCNLFO-AEJSXWLSSA-N 2 1 234.290 1.427 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000904341239 584867327 /nfs/dbraw/zinc/86/73/27/584867327.db2.gz LQYSRTHVAZKQAX-MBNYWOFBSA-N 2 1 247.342 1.272 20 0 BDADMP CC[N@@H+](CCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904342225 584867456 /nfs/dbraw/zinc/86/74/56/584867456.db2.gz ZUPWXHIIBDNIDX-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346570 584868087 /nfs/dbraw/zinc/86/80/87/584868087.db2.gz UFGAJKAFTLMTJX-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP COCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[C@@H](C)C1 ZINC000904346202 584868275 /nfs/dbraw/zinc/86/82/75/584868275.db2.gz QSCCUDUDNOFRKK-MQYQWHSLSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@]1(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351179 584869323 /nfs/dbraw/zinc/86/93/23/584869323.db2.gz VUXZOOKJBLVNON-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904351179 584869324 /nfs/dbraw/zinc/86/93/24/584869324.db2.gz VUXZOOKJBLVNON-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@]1(CNCc2ccc(C[NH3+])cc2)CCC[NH2+]C1 ZINC000904355289 584870794 /nfs/dbraw/zinc/87/07/94/584870794.db2.gz MGQVDUOSNMZIOY-HNNXBMFYSA-N 2 1 247.386 1.625 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](C3CCC3)C2)C1 ZINC000904371156 584873076 /nfs/dbraw/zinc/87/30/76/584873076.db2.gz KKKWTMHLEWCLKS-KGYLQXTDSA-N 2 1 224.348 1.225 20 0 BDADMP Cc1ccc2nc(C[NH2+]C3CC(C[NH3+])C3)[nH]c2c1 ZINC000904364893 584874847 /nfs/dbraw/zinc/87/48/47/584874847.db2.gz SFAHMBMWGOTEAR-UHFFFAOYSA-N 2 1 244.342 1.698 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904378333 584875876 /nfs/dbraw/zinc/87/58/76/584875876.db2.gz ARQRPYFIMIUDRN-CHWSQXEVSA-N 3 1 227.396 1.339 20 0 BDADMP Cc1noc([C@@H](C)[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904376458 584876131 /nfs/dbraw/zinc/87/61/31/584876131.db2.gz SSNGWLKAKDHADT-QNSHHTMESA-N 2 1 224.308 1.108 20 0 BDADMP COc1ccc2c(c1)CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379287 584876671 /nfs/dbraw/zinc/87/66/71/584876671.db2.gz SKJBXNRHHAVSLU-VDISTLRHSA-N 2 1 246.354 1.791 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@H]1C[NH3+] ZINC000904410094 584879018 /nfs/dbraw/zinc/87/90/18/584879018.db2.gz AJUSPKUIMTYGGN-AAEUAGOBSA-N 2 1 234.343 1.809 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000904409607 584879186 /nfs/dbraw/zinc/87/91/86/584879186.db2.gz DJGXAINXTXHOJE-LLVKDONJSA-N 2 1 248.326 1.586 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904411088 584879858 /nfs/dbraw/zinc/87/98/58/584879858.db2.gz JYDYSCQYVGDWFK-DGCLKSJQSA-N 2 1 236.363 1.320 20 0 BDADMP C[C@H]1CCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817912552 584991185 /nfs/dbraw/zinc/99/11/85/584991185.db2.gz HHDCEKZWNYNGNX-ICIURTGMSA-N 2 1 237.391 1.343 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)C2CC2)CC1 ZINC000838969443 585082857 /nfs/dbraw/zinc/08/28/57/585082857.db2.gz XTWVLXZLTDSGHB-STQMWFEESA-N 2 1 226.364 1.173 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827001 585180789 /nfs/dbraw/zinc/18/07/89/585180789.db2.gz BLFDMQATCXPKAD-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827001 585180790 /nfs/dbraw/zinc/18/07/90/585180790.db2.gz BLFDMQATCXPKAD-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H](CCO)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000779344759 585752051 /nfs/dbraw/zinc/75/20/51/585752051.db2.gz XYZDLFQPLKYXND-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H](C)CCO ZINC000779398913 585753428 /nfs/dbraw/zinc/75/34/28/585753428.db2.gz IOPAPXPNAKQHOB-LLVKDONJSA-N 2 1 202.342 1.079 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CCO ZINC000779398913 585753429 /nfs/dbraw/zinc/75/34/29/585753429.db2.gz IOPAPXPNAKQHOB-LLVKDONJSA-N 2 1 202.342 1.079 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)[C@@H](C)C1 ZINC000783308804 585833402 /nfs/dbraw/zinc/83/34/02/585833402.db2.gz FTMBDHXIHBTXIO-MJBXVCDLSA-N 2 1 238.375 1.999 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788471858 585925261 /nfs/dbraw/zinc/92/52/61/585925261.db2.gz VLWUZWSNFZYCMG-NSHDSACASA-N 2 1 212.337 1.049 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCC1OCCO1 ZINC000799175274 586164964 /nfs/dbraw/zinc/16/49/64/586164964.db2.gz UGYALXVCHNDOAH-UHFFFAOYSA-N 2 1 242.363 1.167 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C)cn1 ZINC000808392109 586470840 /nfs/dbraw/zinc/47/08/40/586470840.db2.gz XKINALDQQZNJSI-UHFFFAOYSA-N 2 1 247.346 1.495 20 0 BDADMP CN(CCC[N@@H+](C)C/C=C\Cl)CC[NH+](C)C ZINC000808781272 586489846 /nfs/dbraw/zinc/48/98/46/586489846.db2.gz CYBHBIUNWLOOFB-ALCCZGGFSA-N 2 1 247.814 1.554 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325732 586600213 /nfs/dbraw/zinc/60/02/13/586600213.db2.gz JSQOUWZVMVPRBV-VXGBXAGGSA-N 2 1 249.358 1.780 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCCO)C2)C1 ZINC000815144473 586669630 /nfs/dbraw/zinc/66/96/30/586669630.db2.gz DLFLIIXGWUBLQV-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCCO)C2)C1 ZINC000815144473 586669632 /nfs/dbraw/zinc/66/96/32/586669632.db2.gz DLFLIIXGWUBLQV-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCCO)C2)C1 ZINC000815144473 586669634 /nfs/dbraw/zinc/66/96/34/586669634.db2.gz DLFLIIXGWUBLQV-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912359 586831460 /nfs/dbraw/zinc/83/14/60/586831460.db2.gz GJFOLGAYJMAQTG-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CSCCS1 ZINC000817898561 586835277 /nfs/dbraw/zinc/83/52/77/586835277.db2.gz ITSCCBYGTDLBAH-OUAUKWLOSA-N 2 1 246.445 1.423 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817904057 586836651 /nfs/dbraw/zinc/83/66/51/586836651.db2.gz RPHYTTOCQHNENA-UTUOFQBUSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817906303 586837119 /nfs/dbraw/zinc/83/71/19/586837119.db2.gz WZUBDSUIBDIQOR-MNOVXSKESA-N 2 1 237.347 1.552 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912354 586837974 /nfs/dbraw/zinc/83/79/74/586837974.db2.gz GJFOLGAYJMAQTG-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912787 586838592 /nfs/dbraw/zinc/83/85/92/586838592.db2.gz IONVZQXFYKGTBY-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1cccs1 ZINC000817913289 586838852 /nfs/dbraw/zinc/83/88/52/586838852.db2.gz NHBALKMMAQCTAH-FOGDFJRCSA-N 2 1 240.372 1.425 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000817914723 586839187 /nfs/dbraw/zinc/83/91/87/586839187.db2.gz YGNRHIPSVMYXOI-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000817914723 586839188 /nfs/dbraw/zinc/83/91/88/586839188.db2.gz YGNRHIPSVMYXOI-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1F ZINC000817927247 586841261 /nfs/dbraw/zinc/84/12/61/586841261.db2.gz HYTRSOZHNGIATR-ONGXEEELSA-N 2 1 223.295 1.438 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccnc1F ZINC000817926857 586841316 /nfs/dbraw/zinc/84/13/16/586841316.db2.gz AZBWSKCKDACFGJ-DTWKUNHWSA-N 2 1 211.284 1.436 20 0 BDADMP [NH3+]CCc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817947610 586847066 /nfs/dbraw/zinc/84/70/66/586847066.db2.gz CBDDFVNZRLWXOC-KGLIPLIRSA-N 3 1 233.359 1.157 20 0 BDADMP c1n[nH]c2c1[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000817955592 586849734 /nfs/dbraw/zinc/84/97/34/586849734.db2.gz ZNIFEBXCLQJPGR-JQWIXIFHSA-N 2 1 234.347 1.376 20 0 BDADMP c1n[nH]c2c1[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976623 586860286 /nfs/dbraw/zinc/86/02/86/586860286.db2.gz PSLIIIXYFOOALX-WCQYABFASA-N 2 1 246.358 1.519 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)C1CC1 ZINC000818965444 586917881 /nfs/dbraw/zinc/91/78/81/586917881.db2.gz IEIFBIRDDCQBOP-GWCFXTLKSA-N 2 1 237.347 1.188 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819309966 586949807 /nfs/dbraw/zinc/94/98/07/586949807.db2.gz QUONKCRVQDKBPH-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819309966 586949809 /nfs/dbraw/zinc/94/98/09/586949809.db2.gz QUONKCRVQDKBPH-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819365994 586957618 /nfs/dbraw/zinc/95/76/18/586957618.db2.gz GJOSNCGZYUYPDO-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H](CO)CC2)n1C ZINC000826015778 587348396 /nfs/dbraw/zinc/34/83/96/587348396.db2.gz BXFJXHIVFAALJA-LBPRGKRZSA-N 2 1 237.347 1.323 20 0 BDADMP OC[C@@H]1CCC[N@@H+](Cc2cnc3n2CCC3)CC1 ZINC000826017552 587348540 /nfs/dbraw/zinc/34/85/40/587348540.db2.gz SXVHKEBEZHMUGS-GFCCVEGCSA-N 2 1 249.358 1.424 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N(C)CC[NH+]2CCCC2)C1 ZINC000832778614 587688512 /nfs/dbraw/zinc/68/85/12/587688512.db2.gz MPAVKSVIGXVGHM-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP COC[C@@H](C)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105755 587946749 /nfs/dbraw/zinc/94/67/49/587946749.db2.gz VKBPGSYCUYMTQG-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105755 587946751 /nfs/dbraw/zinc/94/67/51/587946751.db2.gz VKBPGSYCUYMTQG-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1ccc(-n2ccnc2)nc1 ZINC000843051067 588076847 /nfs/dbraw/zinc/07/68/47/588076847.db2.gz UIDIPDDWAYQJCN-UHFFFAOYSA-N 2 1 245.330 1.048 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc(-n2ccnc2)nc1 ZINC000843051067 588076849 /nfs/dbraw/zinc/07/68/49/588076849.db2.gz UIDIPDDWAYQJCN-UHFFFAOYSA-N 2 1 245.330 1.048 20 0 BDADMP c1ccc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113926 588082076 /nfs/dbraw/zinc/08/20/76/588082076.db2.gz BOCOUEUZNCGUQY-UONOGXRCSA-N 2 1 245.370 1.871 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843114953 588082869 /nfs/dbraw/zinc/08/28/69/588082869.db2.gz FISVCPVOZLGVRQ-OAHLLOKOSA-N 2 1 246.354 1.888 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000843126177 588084460 /nfs/dbraw/zinc/08/44/60/588084460.db2.gz NVKPLBNDMRXQGQ-AGIUHOORSA-N 3 1 225.380 1.106 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000843345664 588102061 /nfs/dbraw/zinc/10/20/61/588102061.db2.gz CQVRBRMDEFVZND-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843345974 588102121 /nfs/dbraw/zinc/10/21/21/588102121.db2.gz IJYVJGKTSZEVCN-CQSZACIVSA-N 3 1 241.423 1.827 20 0 BDADMP NC[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843348148 588102235 /nfs/dbraw/zinc/10/22/35/588102235.db2.gz YUNNIRJAAJVTDK-CYBMUJFWSA-N 2 1 227.396 1.709 20 0 BDADMP [NH3+]CCCCCCCN1CCCC[C@@H]1C[NH3+] ZINC000843348148 588102237 /nfs/dbraw/zinc/10/22/37/588102237.db2.gz YUNNIRJAAJVTDK-CYBMUJFWSA-N 2 1 227.396 1.709 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348774 588102711 /nfs/dbraw/zinc/10/27/11/588102711.db2.gz XJRRBNROUADFLQ-LBPRGKRZSA-N 3 1 213.369 1.176 20 0 BDADMP CC(C)OC(=O)CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354593 588102990 /nfs/dbraw/zinc/10/29/90/588102990.db2.gz DSDSKKMFIOYOCU-UHFFFAOYSA-N 2 1 242.363 1.530 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000843354288 588103316 /nfs/dbraw/zinc/10/33/16/588103316.db2.gz XNYIWZODGKSEAZ-QWHCGFSZSA-N 3 1 227.396 1.565 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843364529 588104437 /nfs/dbraw/zinc/10/44/37/588104437.db2.gz LMYAGVVSKFQNJB-QWHCGFSZSA-N 3 1 227.396 1.565 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364708 588104651 /nfs/dbraw/zinc/10/46/51/588104651.db2.gz LQAMOQGDKFUIDD-LBPRGKRZSA-N 2 1 246.358 1.613 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CCO ZINC000846178048 588259175 /nfs/dbraw/zinc/25/91/75/588259175.db2.gz SQYHQELRYGRTCM-LBPRGKRZSA-N 2 1 216.369 1.325 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000846220322 588261007 /nfs/dbraw/zinc/26/10/07/588261007.db2.gz FXHXMLHPQNPTIJ-ZDUSSCGKSA-N 3 1 227.396 1.709 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000846221166 588261274 /nfs/dbraw/zinc/26/12/74/588261274.db2.gz ULKUPBSCWIYYNL-JHJVBQTASA-N 3 1 227.396 1.482 20 0 BDADMP CCN1C[C@@H](C)[N@@H+](CCCCCC[NH3+])C[C@H]1C ZINC000846221267 588261368 /nfs/dbraw/zinc/26/13/68/588261368.db2.gz VWRWDUPLYANRQS-ZIAGYGMSSA-N 2 1 241.423 1.920 20 0 BDADMP CC[N@@H+]1C[C@@H](C)N(CCCCCC[NH3+])C[C@H]1C ZINC000846221267 588261369 /nfs/dbraw/zinc/26/13/69/588261369.db2.gz VWRWDUPLYANRQS-ZIAGYGMSSA-N 2 1 241.423 1.920 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CCCCCC[NH3+])C[C@H]1C ZINC000846221267 588261370 /nfs/dbraw/zinc/26/13/70/588261370.db2.gz VWRWDUPLYANRQS-ZIAGYGMSSA-N 2 1 241.423 1.920 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCF)C1 ZINC000846227761 588262081 /nfs/dbraw/zinc/26/20/81/588262081.db2.gz HDUNOFSXQZXOKI-UTUOFQBUSA-N 2 1 230.327 1.317 20 0 BDADMP CCCCCCNC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997423 588429666 /nfs/dbraw/zinc/42/96/66/588429666.db2.gz GTDMJFNWIRKUFJ-UHFFFAOYSA-N 2 1 240.395 1.775 20 0 BDADMP CCCCCCNC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997423 588429667 /nfs/dbraw/zinc/42/96/67/588429667.db2.gz GTDMJFNWIRKUFJ-UHFFFAOYSA-N 2 1 240.395 1.775 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000849027963 588441427 /nfs/dbraw/zinc/44/14/27/588441427.db2.gz SPEZATYHGZPWCT-NSHDSACASA-N 2 1 226.368 1.383 20 0 BDADMP C[N@@H+](CCCCNC1=[NH+]CCCCN1)C1CC1 ZINC000849216621 588462766 /nfs/dbraw/zinc/46/27/66/588462766.db2.gz NFCIRONYRKFCHD-UHFFFAOYSA-N 2 1 238.379 1.190 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C=CCC1 ZINC000850358659 588539356 /nfs/dbraw/zinc/53/93/56/588539356.db2.gz IYRYBZZNAPXYKK-GFCCVEGCSA-N 2 1 217.316 1.956 20 0 BDADMP C[N@@H+](CCOC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000851782026 588627769 /nfs/dbraw/zinc/62/77/69/588627769.db2.gz KAFAEKPNYTUPKV-JTQLQIEISA-N 2 1 236.306 1.499 20 0 BDADMP C[NH+](CCOC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000851782026 588627770 /nfs/dbraw/zinc/62/77/70/588627770.db2.gz KAFAEKPNYTUPKV-JTQLQIEISA-N 2 1 236.306 1.499 20 0 BDADMP C[NH+](CCOC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000851782026 588627771 /nfs/dbraw/zinc/62/77/71/588627771.db2.gz KAFAEKPNYTUPKV-JTQLQIEISA-N 2 1 236.306 1.499 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000852746431 588697930 /nfs/dbraw/zinc/69/79/30/588697930.db2.gz LBWXKZUQTGMLCV-WDEREUQCSA-N 2 1 248.317 1.690 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000852746431 588697931 /nfs/dbraw/zinc/69/79/31/588697931.db2.gz LBWXKZUQTGMLCV-WDEREUQCSA-N 2 1 248.317 1.690 20 0 BDADMP FC(F)OCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000852743891 588699157 /nfs/dbraw/zinc/69/91/57/588699157.db2.gz NFLOOUOTIWKHLE-UHFFFAOYSA-N 2 1 234.290 1.442 20 0 BDADMP C([C@@H]1CNCCO1)[N@H+]1CCCC2(CCCC2)C1 ZINC000852750038 588699951 /nfs/dbraw/zinc/69/99/51/588699951.db2.gz LYEHFYWHSSJHTA-ZDUSSCGKSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOC(F)F ZINC000852750603 588700152 /nfs/dbraw/zinc/70/01/52/588700152.db2.gz ZUAYGJAUKCEGON-IWSPIJDZSA-N 2 1 222.279 1.202 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])C[C@@H]1COCCO1 ZINC000852755894 588700540 /nfs/dbraw/zinc/70/05/40/588700540.db2.gz KLZYCNYCZVZNRV-CYBMUJFWSA-N 2 1 244.379 1.243 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863541683 589297207 /nfs/dbraw/zinc/29/72/07/589297207.db2.gz LTBAGSIHNJMNLG-UHFFFAOYSA-N 2 1 245.370 1.966 20 0 BDADMP Nc1ncccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863541465 589297311 /nfs/dbraw/zinc/29/73/11/589297311.db2.gz JGPDUGSFBZHYKZ-UHFFFAOYSA-N 2 1 246.358 1.239 20 0 BDADMP CC(C)[C@H]1CNCC[N@H+]1CCCCCCC[NH3+] ZINC000863546567 589298071 /nfs/dbraw/zinc/29/80/71/589298071.db2.gz LBFJKYXGZJIHHP-CQSZACIVSA-N 2 1 241.423 1.825 20 0 BDADMP CC(C)[C@H]1C[NH2+]CCN1CCCCCCC[NH3+] ZINC000863546567 589298072 /nfs/dbraw/zinc/29/80/72/589298072.db2.gz LBFJKYXGZJIHHP-CQSZACIVSA-N 2 1 241.423 1.825 20 0 BDADMP Cc1c[nH+]cn1Cc1nc(C2CC[NH2+]CC2)no1 ZINC000863654914 589307963 /nfs/dbraw/zinc/30/79/63/589307963.db2.gz SUJYGEDCAISWQA-UHFFFAOYSA-N 2 1 247.302 1.090 20 0 BDADMP CCC(CC)NC(=[NH2+])NCCn1cc[nH+]c1C ZINC000864456012 589366837 /nfs/dbraw/zinc/36/68/37/589366837.db2.gz DTCRZPPPXIYHHI-UHFFFAOYSA-N 2 1 237.351 1.494 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000864456377 589366904 /nfs/dbraw/zinc/36/69/04/589366904.db2.gz HFSHVXZJDZLFBX-SNVBAGLBSA-N 2 1 240.395 1.772 20 0 BDADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@@H]2C)C1 ZINC000864456268 589367155 /nfs/dbraw/zinc/36/71/55/589367155.db2.gz HKLINPXQDOGCFG-TUAOUCFPSA-N 2 1 238.379 1.241 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000864457861 589367922 /nfs/dbraw/zinc/36/79/22/589367922.db2.gz VMVAFDTXBXWKKK-NSHDSACASA-N 2 1 240.395 1.631 20 0 BDADMP CCCCOCCC[NH2+]C1CC[NH+](C)CC1 ZINC000120406682 589412538 /nfs/dbraw/zinc/41/25/38/589412538.db2.gz GDICOHVCNNMUBO-UHFFFAOYSA-N 2 1 228.380 1.877 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866204827 589480200 /nfs/dbraw/zinc/48/02/00/589480200.db2.gz GNNBCWNLCLUBOL-STQMWFEESA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866204827 589480201 /nfs/dbraw/zinc/48/02/01/589480201.db2.gz GNNBCWNLCLUBOL-STQMWFEESA-N 2 1 231.343 1.920 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000866486180 589494908 /nfs/dbraw/zinc/49/49/08/589494908.db2.gz AOBFNKZOHGZHGT-WRWGMCAJSA-N 2 1 228.405 1.953 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000866486180 589494909 /nfs/dbraw/zinc/49/49/09/589494909.db2.gz AOBFNKZOHGZHGT-WRWGMCAJSA-N 2 1 228.405 1.953 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583631 589502395 /nfs/dbraw/zinc/50/23/95/589502395.db2.gz DAKWRRUCETWUCL-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583631 589502396 /nfs/dbraw/zinc/50/23/96/589502396.db2.gz DAKWRRUCETWUCL-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583631 589502398 /nfs/dbraw/zinc/50/23/98/589502398.db2.gz DAKWRRUCETWUCL-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583631 589502400 /nfs/dbraw/zinc/50/24/00/589502400.db2.gz DAKWRRUCETWUCL-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP Cc1ccc(C[N@H+](C)CCC[NH3+])nc1Cl ZINC000866661817 589509090 /nfs/dbraw/zinc/50/90/90/589509090.db2.gz VKCSACDQRVUAME-UHFFFAOYSA-N 2 1 227.739 1.824 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])nc1Cl ZINC000866661817 589509092 /nfs/dbraw/zinc/50/90/92/589509092.db2.gz VKCSACDQRVUAME-UHFFFAOYSA-N 2 1 227.739 1.824 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@@H+]1CCC1SCCS1 ZINC000866681697 589511121 /nfs/dbraw/zinc/51/11/21/589511121.db2.gz BAENJWUGIOVOJL-RKDXNWHRSA-N 2 1 232.418 1.604 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1SCCS1 ZINC000866681697 589511125 /nfs/dbraw/zinc/51/11/25/589511125.db2.gz BAENJWUGIOVOJL-RKDXNWHRSA-N 2 1 232.418 1.604 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC1SCCS1 ZINC000866681697 589511126 /nfs/dbraw/zinc/51/11/26/589511126.db2.gz BAENJWUGIOVOJL-RKDXNWHRSA-N 2 1 232.418 1.604 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CCCCCC[NH3+])C1 ZINC000866703004 589514043 /nfs/dbraw/zinc/51/40/43/589514043.db2.gz IFIILFOMKDNOPO-LBPRGKRZSA-N 2 1 228.380 1.598 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706215 589514551 /nfs/dbraw/zinc/51/45/51/589514551.db2.gz NGRBMERKKSLHGX-WCQYABFASA-N 2 1 228.380 1.718 20 0 BDADMP Cc1cncc([C@@H]2CCC[N@H+]2CCOCC[NH3+])c1 ZINC000866719805 589515258 /nfs/dbraw/zinc/51/52/58/589515258.db2.gz DJZLOSUOLNTCMT-AWEZNQCLSA-N 2 1 249.358 1.502 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866724407 589515810 /nfs/dbraw/zinc/51/58/10/589515810.db2.gz KDAIEIWTHTWMMU-KGLIPLIRSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866724407 589515811 /nfs/dbraw/zinc/51/58/11/589515811.db2.gz KDAIEIWTHTWMMU-KGLIPLIRSA-N 3 1 239.407 1.722 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723672 589516077 /nfs/dbraw/zinc/51/60/77/589516077.db2.gz ITBGFDRIPVFYSO-ZUWCUPBKSA-N 2 1 220.360 1.859 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723672 589516078 /nfs/dbraw/zinc/51/60/78/589516078.db2.gz ITBGFDRIPVFYSO-ZUWCUPBKSA-N 2 1 220.360 1.859 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000122263253 589573448 /nfs/dbraw/zinc/57/34/48/589573448.db2.gz ABSJXLIEXNCAMA-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP C[NH+]1CCC([NH2+]CCC[C@H]2CCOC2=O)CC1 ZINC000872113090 589874088 /nfs/dbraw/zinc/87/40/88/589874088.db2.gz MXPRKUIEJKPYHG-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000872141978 589882387 /nfs/dbraw/zinc/88/23/87/589882387.db2.gz DLYUUERNNGFAQT-VDISTLRHSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000872144706 589883905 /nfs/dbraw/zinc/88/39/05/589883905.db2.gz FAKDXLFSXKACLV-OBJOEFQTSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000872144706 589883908 /nfs/dbraw/zinc/88/39/08/589883908.db2.gz FAKDXLFSXKACLV-OBJOEFQTSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000872144533 589884300 /nfs/dbraw/zinc/88/43/00/589884300.db2.gz HLKYELLENWBMFC-TXEJJXNPSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000872146414 589885075 /nfs/dbraw/zinc/88/50/75/589885075.db2.gz NBZSYFJHDAKKJB-RNJOBUHISA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000872146414 589885077 /nfs/dbraw/zinc/88/50/77/589885077.db2.gz NBZSYFJHDAKKJB-RNJOBUHISA-N 2 1 224.348 1.238 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1cccnc1N ZINC000872158221 589886540 /nfs/dbraw/zinc/88/65/40/589886540.db2.gz UBJXSCCKOTYJNY-UHFFFAOYSA-N 2 1 236.363 1.615 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC000872154918 589886563 /nfs/dbraw/zinc/88/65/63/589886563.db2.gz FHWDTQPUGZHXNL-GFCCVEGCSA-N 3 1 213.369 1.047 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315056 589910281 /nfs/dbraw/zinc/91/02/81/589910281.db2.gz LCXLLFUEPIANGF-MCIONIFRSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@]1(C[N@H+]2C[C@H](O)CC(C)(C)C2)CC[NH2+]C1 ZINC000873218961 589998528 /nfs/dbraw/zinc/99/85/28/589998528.db2.gz BDXRXYNIDURMTA-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@@H](O)CC(C)(C)C2)CC[NH2+]C1 ZINC000873218960 589998966 /nfs/dbraw/zinc/99/89/66/589998966.db2.gz BDXRXYNIDURMTA-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000873218968 589998992 /nfs/dbraw/zinc/99/89/92/589998992.db2.gz BHRRUNHBZLMNET-IHRRRGAJSA-N 2 1 239.407 1.386 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)CC[NH2+]C1 ZINC000873221385 589999538 /nfs/dbraw/zinc/99/95/38/589999538.db2.gz IYWWMPYTJJHCRF-AVGNSLFASA-N 2 1 240.416 1.671 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC[NH2+]C(C)(C)C)CC[C@H]21 ZINC000873222053 589999752 /nfs/dbraw/zinc/99/97/52/589999752.db2.gz YCVJGNOOXVYPEZ-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]3CSC[C@H]3C2)CC[NH2+]C1 ZINC000873221387 590000144 /nfs/dbraw/zinc/00/01/44/590000144.db2.gz IYWWMPYTJJHCRF-XQQFMLRXSA-N 2 1 240.416 1.671 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873235637 590003712 /nfs/dbraw/zinc/00/37/12/590003712.db2.gz QXOXXWIMIVPZOB-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234145 590004509 /nfs/dbraw/zinc/00/45/09/590004509.db2.gz CSVIIDYNGVWPON-JHJVBQTASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1c[nH+]ccc1N ZINC000873281435 590018514 /nfs/dbraw/zinc/01/85/14/590018514.db2.gz IXPORRZEQAOEQF-WDEREUQCSA-N 2 1 249.358 1.960 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCC2OCCO2)CC1 ZINC000124546193 590049084 /nfs/dbraw/zinc/04/90/84/590049084.db2.gz LZPQURNFZGPAJE-UHFFFAOYSA-N 2 1 242.363 1.166 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCC2OCCO2)CC1 ZINC000124546193 590049086 /nfs/dbraw/zinc/04/90/86/590049086.db2.gz LZPQURNFZGPAJE-UHFFFAOYSA-N 2 1 242.363 1.166 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC000878236129 590527504 /nfs/dbraw/zinc/52/75/04/590527504.db2.gz QOWGZQKMZLIXNO-CQSZACIVSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCF)CC[C@@H]21 ZINC000879577550 590814841 /nfs/dbraw/zinc/81/48/41/590814841.db2.gz YANASPRHYZRBCW-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCF)CC[C@@H]21 ZINC000879577550 590814845 /nfs/dbraw/zinc/81/48/45/590814845.db2.gz YANASPRHYZRBCW-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC000879577550 590814847 /nfs/dbraw/zinc/81/48/47/590814847.db2.gz YANASPRHYZRBCW-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC000879577550 590814854 /nfs/dbraw/zinc/81/48/54/590814854.db2.gz YANASPRHYZRBCW-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCF)CC[C@@H]21 ZINC000879580234 590819762 /nfs/dbraw/zinc/81/97/62/590819762.db2.gz FVIYITKTWRQQHU-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCCF)CC[C@@H]21 ZINC000879580234 590819765 /nfs/dbraw/zinc/81/97/65/590819765.db2.gz FVIYITKTWRQQHU-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCCF)CC[C@@H]21 ZINC000879580234 590819767 /nfs/dbraw/zinc/81/97/67/590819767.db2.gz FVIYITKTWRQQHU-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCF)CC[C@@H]21 ZINC000879580234 590819768 /nfs/dbraw/zinc/81/97/68/590819768.db2.gz FVIYITKTWRQQHU-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP CCC1([NH+]2CCCCC2)CC[NH+](CCO)CC1 ZINC000880256821 590979257 /nfs/dbraw/zinc/97/92/57/590979257.db2.gz NGDJWKLQDSRTSD-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP CC[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473050 591053545 /nfs/dbraw/zinc/05/35/45/591053545.db2.gz NAABGLIJFKKJRF-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP Cc1[nH+]ccn1CCCCn1cc([C@H](C)[NH3+])nn1 ZINC000881361855 591195954 /nfs/dbraw/zinc/19/59/54/591195954.db2.gz ZENFHMOLGHQWTA-JTQLQIEISA-N 2 1 248.334 1.283 20 0 BDADMP Cc1cc(C)c(Cn2cc([C@@H](C)[NH3+])nn2)c(C)[nH+]1 ZINC000881388412 591199029 /nfs/dbraw/zinc/19/90/29/591199029.db2.gz MOQPXRSQEAKYFY-SNVBAGLBSA-N 2 1 245.330 1.666 20 0 BDADMP Cc1ncnc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000881802042 591271779 /nfs/dbraw/zinc/27/17/79/591271779.db2.gz UTBQNGKNHWALEH-LBPRGKRZSA-N 2 1 246.358 1.990 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000129611191 591340309 /nfs/dbraw/zinc/34/03/09/591340309.db2.gz MMILFXRAWYPNRF-CFVMTHIKSA-N 2 1 248.370 1.792 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000883354093 591624832 /nfs/dbraw/zinc/62/48/32/591624832.db2.gz KOZOXNPXFWJGDI-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C=C/C=C/CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000883429393 591660269 /nfs/dbraw/zinc/66/02/69/591660269.db2.gz UMJICPUJCCPLRQ-HORCIZIBSA-N 2 1 206.333 1.803 20 0 BDADMP C=C/C=C/CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000883429393 591660272 /nfs/dbraw/zinc/66/02/72/591660272.db2.gz UMJICPUJCCPLRQ-HORCIZIBSA-N 2 1 206.333 1.803 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cn2)C[C@@H]1[NH3+] ZINC000883442057 591669469 /nfs/dbraw/zinc/66/94/69/591669469.db2.gz DFZMXMXYTNGMRV-WDEREUQCSA-N 2 1 239.750 1.950 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000883449890 591671206 /nfs/dbraw/zinc/67/12/06/591671206.db2.gz PNYXUYPORWFVQQ-CQSZACIVSA-N 3 1 241.423 1.970 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000883449890 591671209 /nfs/dbraw/zinc/67/12/09/591671209.db2.gz PNYXUYPORWFVQQ-CQSZACIVSA-N 3 1 241.423 1.970 20 0 BDADMP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCCCCC[NH3+] ZINC000883462165 591673879 /nfs/dbraw/zinc/67/38/79/591673879.db2.gz LBRHFLDYMPTBJP-LBPRGKRZSA-N 2 1 243.395 1.337 20 0 BDADMP Cn1c[nH+]cc1CCN1CC[NH2+]CCC12CCC2 ZINC000883460021 591673910 /nfs/dbraw/zinc/67/39/10/591673910.db2.gz NKEQWOUAXMWVMV-UHFFFAOYSA-N 2 1 248.374 1.181 20 0 BDADMP [NH3+]CCC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000883462358 591674020 /nfs/dbraw/zinc/67/40/20/591674020.db2.gz PFSGWDUKOIMASP-CQSZACIVSA-N 2 1 245.370 1.820 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459930 591674563 /nfs/dbraw/zinc/67/45/63/591674563.db2.gz KZOHZVDCTFJUKY-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000132466252 591710639 /nfs/dbraw/zinc/71/06/39/591710639.db2.gz PKUOKWUKAAIKER-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC000220239279 592292125 /nfs/dbraw/zinc/29/21/25/592292125.db2.gz XIRBUSSQXNZUCM-FGWVZKOKSA-N 2 1 237.372 1.987 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cncs1 ZINC000220239279 592292127 /nfs/dbraw/zinc/29/21/27/592292127.db2.gz XIRBUSSQXNZUCM-FGWVZKOKSA-N 2 1 237.372 1.987 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886829431 592350337 /nfs/dbraw/zinc/35/03/37/592350337.db2.gz AFQLXNVJEGFUBQ-CRWXNKLISA-N 2 1 236.359 1.239 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000886829431 592350343 /nfs/dbraw/zinc/35/03/43/592350343.db2.gz AFQLXNVJEGFUBQ-CRWXNKLISA-N 2 1 236.359 1.239 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886830520 592353441 /nfs/dbraw/zinc/35/34/41/592353441.db2.gz SOKYUUPGAYIJQU-AGIUHOORSA-N 2 1 226.364 1.376 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886839961 592360352 /nfs/dbraw/zinc/36/03/52/592360352.db2.gz PSHWZNKMOSQZAH-KSTCHIGDSA-N 2 1 238.375 1.389 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(OC)C2)C1 ZINC000220843805 592365863 /nfs/dbraw/zinc/36/58/63/592365863.db2.gz ZHMMEGBTPGQYSB-VOMCLLRMSA-N 2 1 212.337 1.095 20 0 BDADMP CCOCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865319 592373175 /nfs/dbraw/zinc/37/31/75/592373175.db2.gz HHMLNJYWSIMMKS-CYBMUJFWSA-N 2 1 226.364 1.489 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(O)c(F)c1 ZINC000221188850 592398450 /nfs/dbraw/zinc/39/84/50/592398450.db2.gz ZGNPWWMFWKXCQT-SNVBAGLBSA-N 2 1 240.322 1.961 20 0 BDADMP C[C@H](O)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134852 592450061 /nfs/dbraw/zinc/45/00/61/592450061.db2.gz RCQFNHRNXSUIBW-OLZOCXBDSA-N 2 1 249.358 1.363 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887352849 592486015 /nfs/dbraw/zinc/48/60/15/592486015.db2.gz QJRVWTSVXMSSON-SNVBAGLBSA-N 2 1 226.368 1.241 20 0 BDADMP CC1CC[NH+](Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000887421440 592504221 /nfs/dbraw/zinc/50/42/21/592504221.db2.gz RUVJKRSBZJSLPI-CYBMUJFWSA-N 2 1 249.362 1.044 20 0 BDADMP C(C[N@H+]1CCC2(CCCC2)C1)N1CC[NH2+]CC1 ZINC000302496448 592548748 /nfs/dbraw/zinc/54/87/48/592548748.db2.gz KDNRWAHVBKEMMW-UHFFFAOYSA-N 2 1 237.391 1.158 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000224137454 592554057 /nfs/dbraw/zinc/55/40/57/592554057.db2.gz KHWBHFHPOVHIKR-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000224137454 592554061 /nfs/dbraw/zinc/55/40/61/592554061.db2.gz KHWBHFHPOVHIKR-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP C(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C[C@@H]1CCC[NH2+]1 ZINC000925704454 634384849 /nfs/dbraw/zinc/38/48/49/634384849.db2.gz GWXVPNWGZKJIND-PMKSJIGOSA-N 2 1 249.402 1.105 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925710558 634408741 /nfs/dbraw/zinc/40/87/41/634408741.db2.gz WZENOLBESGQMCO-ZDUSSCGKSA-N 2 1 245.370 1.864 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925712325 634411595 /nfs/dbraw/zinc/41/15/95/634411595.db2.gz ORHPXEARSJQKKC-LPEHRKFASA-N 2 1 214.378 1.611 20 0 BDADMP OC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000925713145 634413893 /nfs/dbraw/zinc/41/38/93/634413893.db2.gz JYSUSRFTUSRPLH-RYUDHWBXSA-N 2 1 224.348 1.022 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCc1ccco1 ZINC000925715538 634443563 /nfs/dbraw/zinc/44/35/63/634443563.db2.gz JTHDCOQPLMEABL-GFCCVEGCSA-N 2 1 222.332 1.942 20 0 BDADMP CC1(C)COC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000313096408 634449017 /nfs/dbraw/zinc/44/90/17/634449017.db2.gz DMZUZSAUKGHKKA-DGCLKSJQSA-N 2 1 238.375 1.485 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257709465 634477008 /nfs/dbraw/zinc/47/70/08/634477008.db2.gz SKEBXAWYBSXQBM-QWHCGFSZSA-N 2 1 240.416 1.958 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257709465 634477010 /nfs/dbraw/zinc/47/70/10/634477010.db2.gz SKEBXAWYBSXQBM-QWHCGFSZSA-N 2 1 240.416 1.958 20 0 BDADMP CC(C)n1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000125576180 634563597 /nfs/dbraw/zinc/56/35/97/634563597.db2.gz VJPDYHWIRRYPLX-GFCCVEGCSA-N 2 1 236.363 1.635 20 0 BDADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccn(C)n1 ZINC000925739556 634598209 /nfs/dbraw/zinc/59/82/09/634598209.db2.gz YSFNRCMBCCDPNE-VIFPVBQESA-N 2 1 210.325 1.198 20 0 BDADMP COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1OC ZINC000259084650 635242624 /nfs/dbraw/zinc/24/26/24/635242624.db2.gz NAVCJCJTOLGRNW-UHFFFAOYSA-N 2 1 236.315 1.285 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCCCCO)C[C@@H]21 ZINC000230048643 635479427 /nfs/dbraw/zinc/47/94/27/635479427.db2.gz NAGTYEZEGSWHHS-HZSPNIEDSA-N 2 1 240.391 1.598 20 0 BDADMP COC[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000925873958 635596370 /nfs/dbraw/zinc/59/63/70/635596370.db2.gz OKYBTVZFEWIZFO-AGIUHOORSA-N 2 1 228.380 1.493 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000925881674 635610107 /nfs/dbraw/zinc/61/01/07/635610107.db2.gz DKSPDDUKLKBKKF-DGAVXFQQSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H](C[NH2+]Cc1cccs1)CC(F)F ZINC000308485981 631392033 /nfs/dbraw/zinc/39/20/33/631392033.db2.gz OFPGEVRQSITQIW-SSDOTTSWSA-N 2 1 220.288 1.820 20 0 BDADMP CCC[C@H](C)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308816874 631667778 /nfs/dbraw/zinc/66/77/78/631667778.db2.gz IRKJJTNVNYWGOF-RWMBFGLXSA-N 2 1 210.365 1.964 20 0 BDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(C)=O)C1 ZINC000176283718 631670035 /nfs/dbraw/zinc/67/00/35/631670035.db2.gz KBZVXSFEOBLSFU-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)=O)C1 ZINC000176283718 631670039 /nfs/dbraw/zinc/67/00/39/631670039.db2.gz KBZVXSFEOBLSFU-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)=O)C1 ZINC000176283718 631670044 /nfs/dbraw/zinc/67/00/44/631670044.db2.gz KBZVXSFEOBLSFU-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)=O)C1 ZINC000176283718 631670047 /nfs/dbraw/zinc/67/00/47/631670047.db2.gz KBZVXSFEOBLSFU-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309056633 631833456 /nfs/dbraw/zinc/83/34/56/631833456.db2.gz RTBGNVBDZOTMCT-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H]1C ZINC000309095371 631879689 /nfs/dbraw/zinc/87/96/89/631879689.db2.gz CPIBMUYDALNUGU-PWSUYJOCSA-N 2 1 207.321 1.970 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CSC ZINC000934667237 632014957 /nfs/dbraw/zinc/01/49/57/632014957.db2.gz AELDAHGRUNEPPN-JTQLQIEISA-N 2 1 234.409 1.030 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2F)C1 ZINC000235440164 632035982 /nfs/dbraw/zinc/03/59/82/632035982.db2.gz IVLHQAYEMBMDPD-ZDUSSCGKSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2F)C1 ZINC000235440164 632035986 /nfs/dbraw/zinc/03/59/86/632035986.db2.gz IVLHQAYEMBMDPD-ZDUSSCGKSA-N 2 1 222.307 1.996 20 0 BDADMP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000052043291 632053214 /nfs/dbraw/zinc/05/32/14/632053214.db2.gz RWXOFYMCBVZREJ-LBPRGKRZSA-N 2 1 240.395 1.487 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250600429 635699222 /nfs/dbraw/zinc/69/92/22/635699222.db2.gz JWASPWOYHYZZEO-QWHCGFSZSA-N 2 1 224.348 1.611 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251523896 635704795 /nfs/dbraw/zinc/70/47/95/635704795.db2.gz ABSJXLIEXNCAMA-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1CCC1)C1CC1 ZINC000309463508 632099538 /nfs/dbraw/zinc/09/95/38/632099538.db2.gz SHSWIJJJAWBSOZ-ZDUSSCGKSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1CCC1)C1CC1 ZINC000309463508 632099543 /nfs/dbraw/zinc/09/95/43/632099543.db2.gz SHSWIJJJAWBSOZ-ZDUSSCGKSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000252822090 635713318 /nfs/dbraw/zinc/71/33/18/635713318.db2.gz AFGZYFQAJDRWLK-VXGBXAGGSA-N 2 1 234.343 1.832 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC000252822090 635713320 /nfs/dbraw/zinc/71/33/20/635713320.db2.gz AFGZYFQAJDRWLK-VXGBXAGGSA-N 2 1 234.343 1.832 20 0 BDADMP Cc1cc(N)nc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000892421701 632678043 /nfs/dbraw/zinc/67/80/43/632678043.db2.gz NUHSDQAGORYIJV-SNVBAGLBSA-N 2 1 235.335 1.121 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](CCSC(F)(F)F)C1 ZINC000235391905 632689745 /nfs/dbraw/zinc/68/97/45/632689745.db2.gz GAOGILIOZLUUHW-QMMMGPOBSA-N 2 1 242.310 1.910 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCSC(F)(F)F)C1 ZINC000235391905 632689750 /nfs/dbraw/zinc/68/97/50/632689750.db2.gz GAOGILIOZLUUHW-QMMMGPOBSA-N 2 1 242.310 1.910 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000310064667 632697598 /nfs/dbraw/zinc/69/75/98/632697598.db2.gz OZNOFEVCEPWIHF-WYTNZGFTSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC1(C)C ZINC000310568867 632760939 /nfs/dbraw/zinc/76/09/39/632760939.db2.gz YPMIOJNIOIIISP-OLZOCXBDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000310568867 632760943 /nfs/dbraw/zinc/76/09/43/632760943.db2.gz YPMIOJNIOIIISP-OLZOCXBDSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]cc2CO)C[C@@H]1C ZINC000126507403 635845463 /nfs/dbraw/zinc/84/54/63/635845463.db2.gz YYAHTAHZYQMOEH-NSHDSACASA-N 2 1 235.331 1.104 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000249841920 633012535 /nfs/dbraw/zinc/01/25/35/633012535.db2.gz TXJKBNNMAWNWEF-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cc(N)nc(N2CC[N@H+](C)C(C)(C)CC2)n1 ZINC000894989247 636013023 /nfs/dbraw/zinc/01/30/23/636013023.db2.gz YEOFBLPEUSRJEE-UHFFFAOYSA-N 2 1 249.362 1.288 20 0 BDADMP C[N@@H+](CC1(F)CC1)C1CCC([NH3+])CC1 ZINC000307385828 635987205 /nfs/dbraw/zinc/98/72/05/635987205.db2.gz KVRBRNQEZQTKNR-UHFFFAOYSA-N 2 1 200.301 1.690 20 0 BDADMP c1csc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)n1 ZINC000328561391 633775856 /nfs/dbraw/zinc/77/58/56/633775856.db2.gz GMGWAMLFSKUVCZ-STXZSOOUSA-N 2 1 249.383 1.272 20 0 BDADMP CSC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925504136 633831711 /nfs/dbraw/zinc/83/17/11/633831711.db2.gz MDLHPSDYAAULGS-RKDXNWHRSA-N 2 1 202.367 1.468 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925504133 633832943 /nfs/dbraw/zinc/83/29/43/633832943.db2.gz MDLHPSDYAAULGS-DTWKUNHWSA-N 2 1 202.367 1.468 20 0 BDADMP CC(C)(C)C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925507338 633840469 /nfs/dbraw/zinc/84/04/69/633840469.db2.gz XZQZSQPFKYKYAV-GHMZBOCLSA-N 2 1 228.380 1.514 20 0 BDADMP COC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000053172161 633876546 /nfs/dbraw/zinc/87/65/46/633876546.db2.gz DNBYOIAVILFMKG-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000925529472 633918914 /nfs/dbraw/zinc/91/89/14/633918914.db2.gz DWKAGRMEQIXBEA-SGMGOOAPSA-N 2 1 240.391 1.658 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982835 634025276 /nfs/dbraw/zinc/02/52/76/634025276.db2.gz ADCSSJBCUMGZCA-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925559633 634038739 /nfs/dbraw/zinc/03/87/39/634038739.db2.gz ZCSVBFOJBGRUAU-OLZOCXBDSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1noc(CCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000925591950 634106395 /nfs/dbraw/zinc/10/63/95/634106395.db2.gz DXCXECPNPYZDQQ-GXSJLCMTSA-N 2 1 238.335 1.041 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000310515372 634155779 /nfs/dbraw/zinc/15/57/79/634155779.db2.gz MHFGBSBXLNULJG-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1nc(N(C)CCC[NH+](C)C)c(C)c(C)[nH+]1 ZINC000775681456 634176280 /nfs/dbraw/zinc/17/62/80/634176280.db2.gz ABFBJZHGWOVIKY-UHFFFAOYSA-N 2 1 236.363 1.790 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925620738 634181738 /nfs/dbraw/zinc/18/17/38/634181738.db2.gz AGAKYWIOCPQDMF-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1CC[C@H]1CCC[N@H+]1C ZINC000931037450 634189229 /nfs/dbraw/zinc/18/92/29/634189229.db2.gz DIAWRZZVOHFLLD-MCIONIFRSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1CC[C@H]1CCC[N@H+]1C ZINC000931037452 634189797 /nfs/dbraw/zinc/18/97/97/634189797.db2.gz DIAWRZZVOHFLLD-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+]1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123879174 634274318 /nfs/dbraw/zinc/27/43/18/634274318.db2.gz MONZWHAMAWAKRV-UHFFFAOYSA-N 2 1 245.370 1.080 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC12CCOCC2 ZINC000925679731 634276840 /nfs/dbraw/zinc/27/68/40/634276840.db2.gz DHHPBPVYRDZJAF-YNEHKIRRSA-N 2 1 238.375 1.533 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000925681352 634280818 /nfs/dbraw/zinc/28/08/18/634280818.db2.gz XJAXNNISBBSGAK-NSHDSACASA-N 2 1 210.321 1.063 20 0 BDADMP CC(C)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310087665 634292995 /nfs/dbraw/zinc/29/29/95/634292995.db2.gz HRANCJWKCRQBML-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310087665 634293000 /nfs/dbraw/zinc/29/30/00/634293000.db2.gz HRANCJWKCRQBML-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925697994 634362877 /nfs/dbraw/zinc/36/28/77/634362877.db2.gz BSGBBRGRXHBLMI-WOPDTQHZSA-N 2 1 225.380 1.363 20 0 BDADMP C[C@H](N)[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1 ZINC000925700104 634368678 /nfs/dbraw/zinc/36/86/78/634368678.db2.gz RKVDCXYMUSOXJW-WFASDCNBSA-N 2 1 245.370 1.584 20 0 BDADMP C[C@@H](CN)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925701345 634374878 /nfs/dbraw/zinc/37/48/78/634374878.db2.gz XWZPCINYHYZRNV-AAEUAGOBSA-N 2 1 221.348 1.403 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925701345 634374884 /nfs/dbraw/zinc/37/48/84/634374884.db2.gz XWZPCINYHYZRNV-AAEUAGOBSA-N 3 1 221.348 1.403 20 0 BDADMP CCCNc1cc(N[C@H]2CC[NH2+]C2)nc[nH+]1 ZINC000258565235 635168648 /nfs/dbraw/zinc/16/86/48/635168648.db2.gz CEDJLJGJYGXKSM-VIFPVBQESA-N 2 1 221.308 1.072 20 0 BDADMP Cc1ccc(CC[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258755220 635195695 /nfs/dbraw/zinc/19/56/95/635195695.db2.gz MOHMUTKNPWRIKT-GFCCVEGCSA-N 2 1 206.333 1.817 20 0 BDADMP Cc1ccc(CC[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258755220 635195698 /nfs/dbraw/zinc/19/56/98/635195698.db2.gz MOHMUTKNPWRIKT-GFCCVEGCSA-N 2 1 206.333 1.817 20 0 BDADMP CCCNc1cc(NC[C@@H](C)[NH3+])nc[nH+]1 ZINC000258751109 635196000 /nfs/dbraw/zinc/19/60/00/635196000.db2.gz WYSVWTFEZWDOET-MRVPVSSYSA-N 2 1 209.297 1.058 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000925824723 635415257 /nfs/dbraw/zinc/41/52/57/635415257.db2.gz UYTZWNWYQXJXSB-MGAJPHDKSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580874 635868031 /nfs/dbraw/zinc/86/80/31/635868031.db2.gz VGYDEOXNBWNGFS-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580874 635868034 /nfs/dbraw/zinc/86/80/34/635868034.db2.gz VGYDEOXNBWNGFS-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580874 635868038 /nfs/dbraw/zinc/86/80/38/635868038.db2.gz VGYDEOXNBWNGFS-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580874 635868041 /nfs/dbraw/zinc/86/80/41/635868041.db2.gz VGYDEOXNBWNGFS-REWJHTLYSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243838 636245048 /nfs/dbraw/zinc/24/50/48/636245048.db2.gz IEWPMPVMNYQKGQ-CYBMUJFWSA-N 3 1 241.423 1.648 20 0 BDADMP CCO[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CC1 ZINC000863548134 636718729 /nfs/dbraw/zinc/71/87/29/636718729.db2.gz USKBZTVAYOGFSN-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CC1 ZINC000863548134 636718732 /nfs/dbraw/zinc/71/87/32/636718732.db2.gz USKBZTVAYOGFSN-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CCO[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CC1 ZINC000863548132 636719271 /nfs/dbraw/zinc/71/92/71/636719271.db2.gz USKBZTVAYOGFSN-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CC1 ZINC000863548132 636719276 /nfs/dbraw/zinc/71/92/76/636719276.db2.gz USKBZTVAYOGFSN-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000221300619 636725903 /nfs/dbraw/zinc/72/59/03/636725903.db2.gz OGJOUGXMSHNTGO-TZMCWYRMSA-N 2 1 234.343 1.261 20 0 BDADMP OCCC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000898011664 636851905 /nfs/dbraw/zinc/85/19/05/636851905.db2.gz SHFWZWMXDAFCPG-YIOUJQMASA-N 2 1 238.375 1.364 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704478 636933612 /nfs/dbraw/zinc/93/36/12/636933612.db2.gz VQLDGESQWHWNFG-MGPQQGTHSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704478 636933616 /nfs/dbraw/zinc/93/36/16/636933616.db2.gz VQLDGESQWHWNFG-MGPQQGTHSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704478 636933619 /nfs/dbraw/zinc/93/36/19/636933619.db2.gz VQLDGESQWHWNFG-MGPQQGTHSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704478 636933623 /nfs/dbraw/zinc/93/36/23/636933623.db2.gz VQLDGESQWHWNFG-MGPQQGTHSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866704478 636933625 /nfs/dbraw/zinc/93/36/25/636933625.db2.gz VQLDGESQWHWNFG-MGPQQGTHSA-N 3 1 237.391 1.012 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463418 637363864 /nfs/dbraw/zinc/36/38/64/637363864.db2.gz ANECYTRXMQWSOW-RQJABVFESA-N 2 1 238.375 1.472 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CCO ZINC000903463437 637364792 /nfs/dbraw/zinc/36/47/92/637364792.db2.gz AZGHXYCAXUSNMU-RFQIPJPRSA-N 2 1 240.391 1.597 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903566360 637371007 /nfs/dbraw/zinc/37/10/07/637371007.db2.gz QURWTGFDVUEEHK-OCCSQVGLSA-N 2 1 248.374 1.557 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000903566246 637371221 /nfs/dbraw/zinc/37/12/21/637371221.db2.gz NDFLHLRCWXDXAE-DYEKYZERSA-N 2 1 248.374 1.413 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000903566246 637371225 /nfs/dbraw/zinc/37/12/25/637371225.db2.gz NDFLHLRCWXDXAE-DYEKYZERSA-N 2 1 248.374 1.413 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727088 637378636 /nfs/dbraw/zinc/37/86/36/637378636.db2.gz QCSWEWKDZCRVBF-JSGCOSHPSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725467 637378896 /nfs/dbraw/zinc/37/88/96/637378896.db2.gz ZXSBMSPDODAUJZ-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722912 637378925 /nfs/dbraw/zinc/37/89/25/637378925.db2.gz FGNFPPBVRZNCIK-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903866215 637386441 /nfs/dbraw/zinc/38/64/41/637386441.db2.gz UMVVCJDEHJDSFW-CYBMUJFWSA-N 2 1 226.364 1.631 20 0 BDADMP COCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903866215 637386445 /nfs/dbraw/zinc/38/64/45/637386445.db2.gz UMVVCJDEHJDSFW-CYBMUJFWSA-N 2 1 226.364 1.631 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000904451302 637417662 /nfs/dbraw/zinc/41/76/62/637417662.db2.gz XCTIAEGODJULGG-UHFFFAOYSA-N 2 1 245.301 1.955 20 0 BDADMP [NH3+]C1(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000904450340 637417883 /nfs/dbraw/zinc/41/78/83/637417883.db2.gz SAULVXLLCRGNCF-QPJJXVBHSA-N 2 1 202.301 1.781 20 0 BDADMP CC(C)OC(=O)C(C)(C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904472447 637426091 /nfs/dbraw/zinc/42/60/91/637426091.db2.gz JLASIPJBTMZFLL-AOOOYVTPSA-N 2 1 228.336 1.044 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904477831 637427197 /nfs/dbraw/zinc/42/71/97/637427197.db2.gz YQALWISWEHHEIS-WYUUTHIRSA-N 2 1 226.389 1.409 20 0 BDADMP C[N@@H+](Cc1cn([C@H]2CC[NH2+]C2)nn1)C(C)(C)C ZINC000905058510 637593690 /nfs/dbraw/zinc/59/36/90/637593690.db2.gz ISOARWWEWDQAGD-NSHDSACASA-N 2 1 237.351 1.043 20 0 BDADMP C[C@H]([NH2+]C[C@](C)(O)C(F)F)C1=CC[N@@H+](C)CC1 ZINC000905202197 637693897 /nfs/dbraw/zinc/69/38/97/637693897.db2.gz GFVBYGGXPDCHNF-CABZTGNLSA-N 2 1 248.317 1.243 20 0 BDADMP C[C@H]1C[C@@H](c2nc(C3([NH3+])CC3)no2)CC[N@@H+]1C ZINC000905324636 637750153 /nfs/dbraw/zinc/75/01/53/637750153.db2.gz LFCMMOMKGYDBFK-IUCAKERBSA-N 2 1 236.319 1.215 20 0 BDADMP C[C@H]1C[C@@H](c2nc(C3([NH3+])CC3)no2)CC[N@H+]1C ZINC000905324636 637750158 /nfs/dbraw/zinc/75/01/58/637750158.db2.gz LFCMMOMKGYDBFK-IUCAKERBSA-N 2 1 236.319 1.215 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000906508058 638178690 /nfs/dbraw/zinc/17/86/90/638178690.db2.gz JNZGVOBUJFEEEO-JOCQHMNTSA-N 2 1 242.326 1.452 20 0 BDADMP CC(C)(C)n1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 ZINC000906508369 638178765 /nfs/dbraw/zinc/17/87/65/638178765.db2.gz PMWXGLKFPGUNEZ-XYPYZODXSA-N 2 1 222.336 1.217 20 0 BDADMP COc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508054 638179603 /nfs/dbraw/zinc/17/96/03/638179603.db2.gz JGPQEQQSHVRBTJ-XYPYZODXSA-N 2 1 206.289 1.275 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000906510146 638183786 /nfs/dbraw/zinc/18/37/86/638183786.db2.gz NMUUWIRQQLZZNT-UHFFFAOYSA-N 2 1 230.233 1.683 20 0 BDADMP CCCC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000906529679 638195119 /nfs/dbraw/zinc/19/51/19/638195119.db2.gz RWJGZCYUYMGZFK-ZDUSSCGKSA-N 2 1 228.380 1.613 20 0 BDADMP CC[C@H](CO)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930602202 639817441 /nfs/dbraw/zinc/81/74/41/639817441.db2.gz MVYRQVIXEPDQKM-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](CO)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930602202 639817442 /nfs/dbraw/zinc/81/74/42/639817442.db2.gz MVYRQVIXEPDQKM-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](CO)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930602202 639817443 /nfs/dbraw/zinc/81/74/43/639817443.db2.gz MVYRQVIXEPDQKM-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@@H+]1[C@H](C)CN(CC[NH+]2CCCC2)C[C@@H]1C ZINC000930882740 639971046 /nfs/dbraw/zinc/97/10/46/639971046.db2.gz JZASGLBFYGWOJI-OKILXGFUSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000931277015 640124607 /nfs/dbraw/zinc/12/46/07/640124607.db2.gz FCDBEAFXZUKICI-GDNZZTSVSA-N 2 1 210.365 1.914 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000931277015 640124616 /nfs/dbraw/zinc/12/46/16/640124616.db2.gz FCDBEAFXZUKICI-GDNZZTSVSA-N 2 1 210.365 1.914 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@H]21 ZINC000931278292 640128398 /nfs/dbraw/zinc/12/83/98/640128398.db2.gz VONHDMVIKHNDHF-SEBNEYGDSA-N 2 1 234.387 1.914 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@H]21 ZINC000931278292 640128406 /nfs/dbraw/zinc/12/84/06/640128406.db2.gz VONHDMVIKHNDHF-SEBNEYGDSA-N 2 1 234.387 1.914 20 0 BDADMP CO[C@H](C)C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310810 640146182 /nfs/dbraw/zinc/14/61/82/640146182.db2.gz HZQMRELEFHCWEG-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CO[C@H](C)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310810 640146186 /nfs/dbraw/zinc/14/61/86/640146186.db2.gz HZQMRELEFHCWEG-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CO[C@H](C)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310810 640146193 /nfs/dbraw/zinc/14/61/93/640146193.db2.gz HZQMRELEFHCWEG-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CCOCC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310284 640146659 /nfs/dbraw/zinc/14/66/59/640146659.db2.gz XVBZLAYXVRBZTJ-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CCOCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310284 640146665 /nfs/dbraw/zinc/14/66/65/640146665.db2.gz XVBZLAYXVRBZTJ-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2CCC(C)([NH+](C)C)CC2)O1 ZINC000931353922 640166508 /nfs/dbraw/zinc/16/65/08/640166508.db2.gz HBHFHWYPVRQCGS-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@H](C)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351932 640167418 /nfs/dbraw/zinc/16/74/18/640167418.db2.gz YNHORFRFGOURDM-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437179 640201028 /nfs/dbraw/zinc/20/10/28/640201028.db2.gz APMHOEUGDONBMT-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437179 640201034 /nfs/dbraw/zinc/20/10/34/640201034.db2.gz APMHOEUGDONBMT-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437179 640201038 /nfs/dbraw/zinc/20/10/38/640201038.db2.gz APMHOEUGDONBMT-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)O1 ZINC000931435563 640202655 /nfs/dbraw/zinc/20/26/55/640202655.db2.gz FZHWFNXGFMGCER-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)O1 ZINC000931435563 640202663 /nfs/dbraw/zinc/20/26/63/640202663.db2.gz FZHWFNXGFMGCER-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)O1 ZINC000931435563 640202665 /nfs/dbraw/zinc/20/26/65/640202665.db2.gz FZHWFNXGFMGCER-XJFOESAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H](C1CC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442178 640205695 /nfs/dbraw/zinc/20/56/95/640205695.db2.gz WXQMCOAFURFBBD-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H](C1CC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442178 640205697 /nfs/dbraw/zinc/20/56/97/640205697.db2.gz WXQMCOAFURFBBD-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H](C1CC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442178 640205700 /nfs/dbraw/zinc/20/57/00/640205700.db2.gz WXQMCOAFURFBBD-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCF)C[C@@H]2C1 ZINC000931439286 640208544 /nfs/dbraw/zinc/20/85/44/640208544.db2.gz TVCRLMUDKBLJSZ-NEPJUHHUSA-N 2 1 214.328 1.620 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCF)C[C@@H]2C1 ZINC000931439286 640208550 /nfs/dbraw/zinc/20/85/50/640208550.db2.gz TVCRLMUDKBLJSZ-NEPJUHHUSA-N 2 1 214.328 1.620 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCF)C[C@@H]2C1 ZINC000931439286 640208553 /nfs/dbraw/zinc/20/85/53/640208553.db2.gz TVCRLMUDKBLJSZ-NEPJUHHUSA-N 2 1 214.328 1.620 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518186 640245116 /nfs/dbraw/zinc/24/51/16/640245116.db2.gz NMDHSLCSEATFOF-ZDUSSCGKSA-N 2 1 249.358 1.429 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518186 640245119 /nfs/dbraw/zinc/24/51/19/640245119.db2.gz NMDHSLCSEATFOF-ZDUSSCGKSA-N 2 1 249.358 1.429 20 0 BDADMP CO[C@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518224 640245320 /nfs/dbraw/zinc/24/53/20/640245320.db2.gz OCVBHYFNRZBFQA-MNOVXSKESA-N 2 1 247.342 1.589 20 0 BDADMP CO[C@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518224 640245324 /nfs/dbraw/zinc/24/53/24/640245324.db2.gz OCVBHYFNRZBFQA-MNOVXSKESA-N 2 1 247.342 1.589 20 0 BDADMP C[N@@H+](Cc1ccccn1)C1CCC([NH3+])CC1 ZINC000055144370 640439289 /nfs/dbraw/zinc/43/92/89/640439289.db2.gz YMFAZEDTLKRIHN-UHFFFAOYSA-N 2 1 219.332 1.783 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000223933230 640593173 /nfs/dbraw/zinc/59/31/73/640593173.db2.gz OPGPRALGLAYFDC-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000223933230 640593179 /nfs/dbraw/zinc/59/31/79/640593179.db2.gz OPGPRALGLAYFDC-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223933988 640593336 /nfs/dbraw/zinc/59/33/36/640593336.db2.gz KRMDRWNRZGMWKM-UTUOFQBUSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223933988 640593341 /nfs/dbraw/zinc/59/33/41/640593341.db2.gz KRMDRWNRZGMWKM-UTUOFQBUSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224882339 640645617 /nfs/dbraw/zinc/64/56/17/640645617.db2.gz IAMRDIPSTPLJLD-VHDGCEQUSA-N 2 1 248.370 1.779 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000166660297 640663633 /nfs/dbraw/zinc/66/36/33/640663633.db2.gz LYYYDMNFKNIOPD-SNVBAGLBSA-N 2 1 225.361 1.846 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000166660297 640663638 /nfs/dbraw/zinc/66/36/38/640663638.db2.gz LYYYDMNFKNIOPD-SNVBAGLBSA-N 2 1 225.361 1.846 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000226329623 640748707 /nfs/dbraw/zinc/74/87/07/640748707.db2.gz NLBAUEVFCDLLLX-DZGCQCFKSA-N 2 1 248.370 1.781 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740546 640757388 /nfs/dbraw/zinc/75/73/88/640757388.db2.gz KLGYBZXOFUJXGY-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740546 640757389 /nfs/dbraw/zinc/75/73/89/640757389.db2.gz KLGYBZXOFUJXGY-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP COCCCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740546 640757394 /nfs/dbraw/zinc/75/73/94/640757394.db2.gz KLGYBZXOFUJXGY-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@]2(C)C1 ZINC000933739098 640761443 /nfs/dbraw/zinc/76/14/43/640761443.db2.gz BXANWFQGGXCURT-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@]2(C)C1 ZINC000933739098 640761448 /nfs/dbraw/zinc/76/14/48/640761448.db2.gz BXANWFQGGXCURT-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@]2(C)C1 ZINC000933739098 640761456 /nfs/dbraw/zinc/76/14/56/640761456.db2.gz BXANWFQGGXCURT-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCCO ZINC000227257732 640822163 /nfs/dbraw/zinc/82/21/63/640822163.db2.gz VQFBFKWTHTVWJW-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000087472564 640898538 /nfs/dbraw/zinc/89/85/38/640898538.db2.gz RVPJJSMTVXXFED-CYBMUJFWSA-N 2 1 222.332 1.261 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000087472564 640898539 /nfs/dbraw/zinc/89/85/39/640898539.db2.gz RVPJJSMTVXXFED-CYBMUJFWSA-N 2 1 222.332 1.261 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000934120074 641083834 /nfs/dbraw/zinc/08/38/34/641083834.db2.gz ZEHXLYGLRRCPLT-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]1[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000934120074 641083835 /nfs/dbraw/zinc/08/38/35/641083835.db2.gz ZEHXLYGLRRCPLT-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[C@H]1[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000934120074 641083837 /nfs/dbraw/zinc/08/38/37/641083837.db2.gz ZEHXLYGLRRCPLT-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911663 641107860 /nfs/dbraw/zinc/10/78/60/641107860.db2.gz PCHJDPMOVTUYHV-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000934337513 641129672 /nfs/dbraw/zinc/12/96/72/641129672.db2.gz JLMVAPSKXCBWIW-MJBXVCDLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934337513 641129675 /nfs/dbraw/zinc/12/96/75/641129675.db2.gz JLMVAPSKXCBWIW-MJBXVCDLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934337513 641129680 /nfs/dbraw/zinc/12/96/80/641129680.db2.gz JLMVAPSKXCBWIW-MJBXVCDLSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)O1 ZINC000232007632 641228279 /nfs/dbraw/zinc/22/82/79/641228279.db2.gz RVXLTDWZUZCOTI-QNWHQSFQSA-N 2 1 226.364 1.471 20 0 BDADMP COC/C(C)=C\C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000929698910 641404236 /nfs/dbraw/zinc/40/42/36/641404236.db2.gz BXLMPCPKKIIWLX-SVSAJMPUSA-N 2 1 240.391 1.853 20 0 BDADMP COC/C(C)=C\C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000929698910 641404238 /nfs/dbraw/zinc/40/42/38/641404238.db2.gz BXLMPCPKKIIWLX-SVSAJMPUSA-N 2 1 240.391 1.853 20 0 BDADMP COC/C(C)=C\C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929698910 641404240 /nfs/dbraw/zinc/40/42/40/641404240.db2.gz BXLMPCPKKIIWLX-SVSAJMPUSA-N 2 1 240.391 1.853 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCSC1 ZINC000261528033 641427217 /nfs/dbraw/zinc/42/72/17/641427217.db2.gz IXLJKJWLZKRZTF-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[N@H+]1CCC[C@@H](NC(=O)CCCCCC[NH3+])C1 ZINC000040673712 641534545 /nfs/dbraw/zinc/53/45/45/641534545.db2.gz QREDAZWDRUOILM-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000158315932 641629242 /nfs/dbraw/zinc/62/92/42/641629242.db2.gz UIHAZPIBSBWEDT-LLVKDONJSA-N 2 1 235.331 1.261 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000158315932 641629245 /nfs/dbraw/zinc/62/92/45/641629245.db2.gz UIHAZPIBSBWEDT-LLVKDONJSA-N 2 1 235.331 1.261 20 0 BDADMP c1csc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994612 641705510 /nfs/dbraw/zinc/70/55/10/641705510.db2.gz FBKGKNRSFXXFJM-ZDUSSCGKSA-N 2 1 236.384 1.976 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000075151760 641747030 /nfs/dbraw/zinc/74/70/30/641747030.db2.gz STWWMUKAHRHUDG-LLVKDONJSA-N 2 1 223.320 1.462 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC(OC)OC)[C@H](C)C1 ZINC000189114985 641789156 /nfs/dbraw/zinc/78/91/56/641789156.db2.gz ABXPBXWGVYYDLN-VXGBXAGGSA-N 2 1 244.379 1.267 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(OC)OC)[C@H](C)C1 ZINC000189114985 641789161 /nfs/dbraw/zinc/78/91/61/641789161.db2.gz ABXPBXWGVYYDLN-VXGBXAGGSA-N 2 1 244.379 1.267 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(OC)OC)[C@H](C)C1 ZINC000189114985 641789164 /nfs/dbraw/zinc/78/91/64/641789164.db2.gz ABXPBXWGVYYDLN-VXGBXAGGSA-N 2 1 244.379 1.267 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(OC)OC)[C@H](C)C1 ZINC000189114985 641789168 /nfs/dbraw/zinc/78/91/68/641789168.db2.gz ABXPBXWGVYYDLN-VXGBXAGGSA-N 2 1 244.379 1.267 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CSC[C@H]1C[NH+](C)CCO1 ZINC000917909096 642138302 /nfs/dbraw/zinc/13/83/02/642138302.db2.gz GMGQRQIWFMENST-VXGBXAGGSA-N 2 1 244.404 1.144 20 0 BDADMP C[N@H+]1CCC[C@@H]1CSC[C@H]1C[NH+](C)CCO1 ZINC000917909096 642138310 /nfs/dbraw/zinc/13/83/10/642138310.db2.gz GMGQRQIWFMENST-VXGBXAGGSA-N 2 1 244.404 1.144 20 0 BDADMP C[NH+]1CCC[C@@H]1CSC[C@H]1C[N@H+](C)CCO1 ZINC000917909096 642138314 /nfs/dbraw/zinc/13/83/14/642138314.db2.gz GMGQRQIWFMENST-VXGBXAGGSA-N 2 1 244.404 1.144 20 0 BDADMP C[NH+]1CCC[C@@H]1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000917909096 642138321 /nfs/dbraw/zinc/13/83/21/642138321.db2.gz GMGQRQIWFMENST-VXGBXAGGSA-N 2 1 244.404 1.144 20 0 BDADMP COCC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000123922059 642413624 /nfs/dbraw/zinc/41/36/24/642413624.db2.gz VRVQLXDYUBKJSM-UHFFFAOYSA-N 2 1 234.343 1.411 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915237 642710974 /nfs/dbraw/zinc/71/09/74/642710974.db2.gz FUSYZYKRNSWOFM-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353500709 642857959 /nfs/dbraw/zinc/85/79/59/642857959.db2.gz XLNAVGLSKZJYCN-GFCCVEGCSA-N 2 1 236.363 1.719 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000069626961 642885527 /nfs/dbraw/zinc/88/55/27/642885527.db2.gz YGOZISKGQDJMDC-AETUYUCGSA-N 2 1 202.729 1.798 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000069626961 642885534 /nfs/dbraw/zinc/88/55/34/642885534.db2.gz YGOZISKGQDJMDC-AETUYUCGSA-N 2 1 202.729 1.798 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)oc1C ZINC000070170710 642985651 /nfs/dbraw/zinc/98/56/51/642985651.db2.gz PKEFCDITTBISIW-GFCCVEGCSA-N 2 1 237.347 1.852 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC2(C)OCCO2)CC[N@H+]1C ZINC000183894582 643179968 /nfs/dbraw/zinc/17/99/68/643179968.db2.gz NJQPPFKETHMTLK-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP C[N@H+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000082485453 643322614 /nfs/dbraw/zinc/32/26/14/643322614.db2.gz HHWITQUOWGMGAY-CYBMUJFWSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CS1 ZINC000307528176 643497026 /nfs/dbraw/zinc/49/70/26/643497026.db2.gz KTVNYEZXRDKEPU-VPOLOUISSA-N 2 1 214.378 1.611 20 0 BDADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](C)C2)CC1 ZINC000042543891 643510822 /nfs/dbraw/zinc/51/08/22/643510822.db2.gz OXWLCVCIUZGFFF-ZDUSSCGKSA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000042543891 643510827 /nfs/dbraw/zinc/51/08/27/643510827.db2.gz OXWLCVCIUZGFFF-ZDUSSCGKSA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000082560740 643512154 /nfs/dbraw/zinc/51/21/54/643512154.db2.gz VCVBAFBCAZUHSJ-YPMHNXCESA-N 2 1 210.365 1.962 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085014730 643523152 /nfs/dbraw/zinc/52/31/52/643523152.db2.gz XJFKEWMJBSTIJP-MNOVXSKESA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000044531481 643544105 /nfs/dbraw/zinc/54/41/05/643544105.db2.gz LWXQQJQKJUKHST-TZMCWYRMSA-N 2 1 234.343 1.391 20 0 BDADMP C[N@@H+](CCC[NH3+])CCc1ccccc1F ZINC000049814795 643624923 /nfs/dbraw/zinc/62/49/23/643624923.db2.gz MDONYMALJHJVOX-UHFFFAOYSA-N 2 1 210.296 1.649 20 0 BDADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052043915 643643732 /nfs/dbraw/zinc/64/37/32/643643732.db2.gz LDENLHBKLBIHAN-JTQLQIEISA-N 2 1 226.368 1.241 20 0 BDADMP C1=CO[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000050269016 643673155 /nfs/dbraw/zinc/67/31/55/643673155.db2.gz SHPMZEKFWVCFMB-CQSZACIVSA-N 2 1 236.359 1.896 20 0 BDADMP CCc1cnc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000234256004 643688191 /nfs/dbraw/zinc/68/81/91/643688191.db2.gz IRPWUYDDGDUUIR-KOLCDFICSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000360711223 644006659 /nfs/dbraw/zinc/00/66/59/644006659.db2.gz FBSHSNQOPJUPHA-UHFFFAOYSA-N 2 1 231.343 1.742 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)C[NH+](C)C ZINC000922758624 644086933 /nfs/dbraw/zinc/08/69/33/644086933.db2.gz YGOAOTRJEMCIAM-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@@H](C[NH2+]CC1(C)CCC1)C[NH+](C)C ZINC000922755224 644087560 /nfs/dbraw/zinc/08/75/60/644087560.db2.gz YVJLROXUKHOVKS-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP Clc1c[nH+]ccc1NC[C@@H]1CCC[NH2+]1 ZINC000086839805 644186567 /nfs/dbraw/zinc/18/65/67/644186567.db2.gz IAZSMBVPLODLGG-QMMMGPOBSA-N 2 1 211.696 1.899 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923282631 644317201 /nfs/dbraw/zinc/31/72/01/644317201.db2.gz XNEKVDSUQRXCCW-CABCVRRESA-N 2 1 248.370 1.261 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000923291433 644318693 /nfs/dbraw/zinc/31/86/93/644318693.db2.gz SGYSPEZMXQWBAF-VHDGCEQUSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923287228 644320138 /nfs/dbraw/zinc/32/01/38/644320138.db2.gz CKRAFBKNUVTQJI-NEPJUHHUSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923287228 644320143 /nfs/dbraw/zinc/32/01/43/644320143.db2.gz CKRAFBKNUVTQJI-NEPJUHHUSA-N 3 1 225.380 1.188 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923288870 644322904 /nfs/dbraw/zinc/32/29/04/644322904.db2.gz CYMMCAVXNZSWRO-LSDHHAIUSA-N 2 1 248.370 1.131 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923288751 644323613 /nfs/dbraw/zinc/32/36/13/644323613.db2.gz CEFJUKNVQGSCEX-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923291804 644328865 /nfs/dbraw/zinc/32/88/65/644328865.db2.gz SDMIOBGRIOOFAH-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP C[C@H](CN)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292442 644330051 /nfs/dbraw/zinc/33/00/51/644330051.db2.gz YDGCJTGYZFRZKC-ODWCKFRGSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH3+])N(C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923292442 644330057 /nfs/dbraw/zinc/33/00/57/644330057.db2.gz YDGCJTGYZFRZKC-ODWCKFRGSA-N 2 1 225.380 1.186 20 0 BDADMP CCOCCOCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923294551 644331442 /nfs/dbraw/zinc/33/14/42/644331442.db2.gz NDMINLOWNLTQCG-UHFFFAOYSA-N 2 1 244.379 1.241 20 0 BDADMP CCCC[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298692 644338866 /nfs/dbraw/zinc/33/88/66/644338866.db2.gz DSLNGLUZLPDASN-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304225 644340159 /nfs/dbraw/zinc/34/01/59/644340159.db2.gz PMRPFURAGVPUGJ-CHWSQXEVSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923318855 644343092 /nfs/dbraw/zinc/34/30/92/644343092.db2.gz PQARCFBUTKXXRS-VXGBXAGGSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)C[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316316 644343304 /nfs/dbraw/zinc/34/33/04/644343304.db2.gz HKNUBKDMXABWLI-RFGFWPKPSA-N 2 1 240.391 1.595 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923315927 644343589 /nfs/dbraw/zinc/34/35/89/644343589.db2.gz OANCKCKSAICXAB-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923317889 644344022 /nfs/dbraw/zinc/34/40/22/644344022.db2.gz XJGHZZCBGBHOAT-LBPRGKRZSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923329141 644346555 /nfs/dbraw/zinc/34/65/55/644346555.db2.gz YHDCJYXHXKBTRN-UHFFFAOYSA-N 3 1 237.391 1.204 20 0 BDADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CC([NH3+])C1 ZINC000923363705 644375587 /nfs/dbraw/zinc/37/55/87/644375587.db2.gz YMPLVIKECGHKDI-RUXDESIVSA-N 2 1 234.343 1.012 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399595 644404775 /nfs/dbraw/zinc/40/47/75/644404775.db2.gz SDQJGTCSNYAGPH-MELADBBJSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923399595 644404781 /nfs/dbraw/zinc/40/47/81/644404781.db2.gz SDQJGTCSNYAGPH-MELADBBJSA-N 2 1 240.391 1.597 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923415891 644408940 /nfs/dbraw/zinc/40/89/40/644408940.db2.gz SDVPVGZCWWXWIN-PWSUYJOCSA-N 2 1 214.353 1.064 20 0 BDADMP CCc1onc(C)c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923412274 644413949 /nfs/dbraw/zinc/41/39/49/644413949.db2.gz QQRNKRCQTKOHDP-ONGXEEELSA-N 2 1 237.347 1.572 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923415167 644415695 /nfs/dbraw/zinc/41/56/95/644415695.db2.gz OVXJDQCYLJGUJQ-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP CC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923422733 644418561 /nfs/dbraw/zinc/41/85/61/644418561.db2.gz XMLGHEYHYSOFMT-LBPRGKRZSA-N 2 1 224.348 1.430 20 0 BDADMP CC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923422733 644418562 /nfs/dbraw/zinc/41/85/62/644418562.db2.gz XMLGHEYHYSOFMT-LBPRGKRZSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCc1c[nH+]cn1C ZINC000923435595 644427603 /nfs/dbraw/zinc/42/76/03/644427603.db2.gz JAFPDDASQRKAGQ-WOPDTQHZSA-N 2 1 236.363 1.033 20 0 BDADMP C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCCCCCC[NH3+] ZINC000923436566 644428080 /nfs/dbraw/zinc/42/80/80/644428080.db2.gz PBJPOBRKRNIFID-IHRRRGAJSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCCCCCC[NH3+] ZINC000923436566 644428084 /nfs/dbraw/zinc/42/80/84/644428084.db2.gz PBJPOBRKRNIFID-IHRRRGAJSA-N 2 1 241.423 1.966 20 0 BDADMP C=C/C=C/CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455528 644434609 /nfs/dbraw/zinc/43/46/09/644434609.db2.gz WNPTVBYBHAXOMY-HORCIZIBSA-N 2 1 206.333 1.803 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455528 644434610 /nfs/dbraw/zinc/43/46/10/644434610.db2.gz WNPTVBYBHAXOMY-HORCIZIBSA-N 2 1 206.333 1.803 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455553 644435685 /nfs/dbraw/zinc/43/56/85/644435685.db2.gz XIBDMPWBDMQMBO-FQUUOJAGSA-N 2 1 236.359 1.097 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455553 644435689 /nfs/dbraw/zinc/43/56/89/644435689.db2.gz XIBDMPWBDMQMBO-FQUUOJAGSA-N 2 1 236.359 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@H]1C[NH3+] ZINC000923495885 644461103 /nfs/dbraw/zinc/46/11/03/644461103.db2.gz DVCZSFMOBIZZGM-PWSUYJOCSA-N 2 1 249.358 1.969 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495705 644463196 /nfs/dbraw/zinc/46/31/96/644463196.db2.gz FCWSKFVIZOZFCW-STQMWFEESA-N 2 1 228.380 1.720 20 0 BDADMP Cc1nnsc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488383 644464594 /nfs/dbraw/zinc/46/45/94/644464594.db2.gz DYOABZJFPNGBPJ-PSASIEDQSA-N 2 1 240.376 1.263 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CCC1 ZINC000923488933 644466174 /nfs/dbraw/zinc/46/61/74/644466174.db2.gz IFISRAFHWNFFLO-KWCYVHTRSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923490074 644466347 /nfs/dbraw/zinc/46/63/47/644466347.db2.gz AQFHNNUCTBZRNV-NWANDNLSSA-N 2 1 248.370 1.637 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492928 644467809 /nfs/dbraw/zinc/46/78/09/644467809.db2.gz ZMMCLKNNUKLUJP-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923491522 644468511 /nfs/dbraw/zinc/46/85/11/644468511.db2.gz IJNTWSCYKIBMPV-GXSJLCMTSA-N 2 1 239.388 1.868 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@H]1C[NH3+] ZINC000923494909 644469987 /nfs/dbraw/zinc/46/99/87/644469987.db2.gz QLSWUASYYNRDSC-NEPJUHHUSA-N 2 1 248.374 1.246 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496905 644471266 /nfs/dbraw/zinc/47/12/66/644471266.db2.gz KEYGXZMTUHTESP-SDDRHHMPSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC000923497414 644472658 /nfs/dbraw/zinc/47/26/58/644472658.db2.gz DYXPKGODUVSPJD-UONOGXRCSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@H]1C[NH3+] ZINC000923500779 644473092 /nfs/dbraw/zinc/47/30/92/644473092.db2.gz PBPZDPRCDLLGEX-ZJUUUORDSA-N 2 1 209.293 1.091 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000923499552 644473244 /nfs/dbraw/zinc/47/32/44/644473244.db2.gz SNCJDJOIQJKOHV-KOLCDFICSA-N 2 1 223.320 1.400 20 0 BDADMP COc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516528 644481423 /nfs/dbraw/zinc/48/14/23/644481423.db2.gz IWQSTIASGXHAHU-UONOGXRCSA-N 2 1 246.354 1.737 20 0 BDADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCCO1 ZINC000923522810 644487990 /nfs/dbraw/zinc/48/79/90/644487990.db2.gz ZNDMTRJHACRQJC-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCCC[C@H]2CO)C1 ZINC000923530109 644488249 /nfs/dbraw/zinc/48/82/49/644488249.db2.gz GERWOUJWCANHKL-XQQFMLRXSA-N 2 1 226.364 1.351 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@H]1CCCO1 ZINC000923533350 644490162 /nfs/dbraw/zinc/49/01/62/644490162.db2.gz KMNWAUWWGQIBFU-ZIAGYGMSSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@H]1CCCO1 ZINC000923533350 644490169 /nfs/dbraw/zinc/49/01/69/644490169.db2.gz KMNWAUWWGQIBFU-ZIAGYGMSSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000923532279 644490429 /nfs/dbraw/zinc/49/04/29/644490429.db2.gz AHPBJRCXQFUAGP-KGLIPLIRSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000923532279 644490433 /nfs/dbraw/zinc/49/04/33/644490433.db2.gz AHPBJRCXQFUAGP-KGLIPLIRSA-N 3 1 237.391 1.204 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089147956 644536357 /nfs/dbraw/zinc/53/63/57/644536357.db2.gz SFNMPHFUIHIZRL-TZMCWYRMSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089147958 644536773 /nfs/dbraw/zinc/53/67/73/644536773.db2.gz SFNMPHFUIHIZRL-GXTWGEPZSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847877 644641946 /nfs/dbraw/zinc/64/19/46/644641946.db2.gz SNRONESXDVMQKE-VOMCLLRMSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC=CO2)C1 ZINC000248909570 644704326 /nfs/dbraw/zinc/70/43/26/644704326.db2.gz QKKXXJHZRMAVNK-UONOGXRCSA-N 2 1 238.375 1.953 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248909570 644704331 /nfs/dbraw/zinc/70/43/31/644704331.db2.gz QKKXXJHZRMAVNK-UONOGXRCSA-N 2 1 238.375 1.953 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248909570 644704337 /nfs/dbraw/zinc/70/43/37/644704337.db2.gz QKKXXJHZRMAVNK-UONOGXRCSA-N 2 1 238.375 1.953 20 0 BDADMP CC[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251857330 644828083 /nfs/dbraw/zinc/82/80/83/644828083.db2.gz SKOPBCDZCMFLMP-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000252176929 644840407 /nfs/dbraw/zinc/84/04/07/644840407.db2.gz SEUZZLJLQQEQCD-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000252176929 644840409 /nfs/dbraw/zinc/84/04/09/644840409.db2.gz SEUZZLJLQQEQCD-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000252982442 644929499 /nfs/dbraw/zinc/92/94/99/644929499.db2.gz WJFIIPBTTLAHOK-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CCN1CC[C@H]([N@H+](C)CC[S@@](C)=O)C[C@@H]1C ZINC000827971067 645090114 /nfs/dbraw/zinc/09/01/14/645090114.db2.gz QKVOZEOHSVPBDV-MQIPJXDCSA-N 2 1 246.420 1.170 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)CC[S@@](C)=O)C[C@@H]1C ZINC000827971067 645090116 /nfs/dbraw/zinc/09/01/16/645090116.db2.gz QKVOZEOHSVPBDV-MQIPJXDCSA-N 2 1 246.420 1.170 20 0 BDADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(C)(C)CO ZINC000926561016 645265733 /nfs/dbraw/zinc/26/57/33/645265733.db2.gz WFJCDYSRTADETK-LBPRGKRZSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000843389287 645288672 /nfs/dbraw/zinc/28/86/72/645288672.db2.gz ZYXNWTSAZHVUSV-LBPRGKRZSA-N 2 1 219.332 1.480 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000926572099 645289418 /nfs/dbraw/zinc/28/94/18/645289418.db2.gz FXQNMAJGHSUQNE-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000926645769 645331647 /nfs/dbraw/zinc/33/16/47/645331647.db2.gz RMZRVSMNGYIGKT-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C=CCC1 ZINC000926838922 645449358 /nfs/dbraw/zinc/44/93/58/645449358.db2.gz WNMSDXWAMZZEMY-HABKJSAYSA-N 2 1 220.360 1.882 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CCOC(F)F)CC[NH2+]CC2 ZINC000852753098 645488013 /nfs/dbraw/zinc/48/80/13/645488013.db2.gz XEWGXSFZWXEGEJ-JTQLQIEISA-N 2 1 248.317 1.690 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCCC12CC2)C[NH+](C)C ZINC000926961159 645501758 /nfs/dbraw/zinc/50/17/58/645501758.db2.gz OGJSXQOJXUMETJ-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886839257 645891742 /nfs/dbraw/zinc/89/17/42/645891742.db2.gz ABIZVKMYOZGQJP-GVXVVHGQSA-N 2 1 226.364 1.376 20 0 BDADMP COc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000929311358 646074228 /nfs/dbraw/zinc/07/42/28/646074228.db2.gz CCXFSBYYXDJVST-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)CO ZINC000924618379 646078748 /nfs/dbraw/zinc/07/87/48/646078748.db2.gz ZAUFOGGWBJAGIW-GFCCVEGCSA-N 2 1 230.396 1.713 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000924959677 646144734 /nfs/dbraw/zinc/14/47/34/646144734.db2.gz LEFPRQIJNGFDGM-MCIONIFRSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](CCO)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000929621948 646207332 /nfs/dbraw/zinc/20/73/32/646207332.db2.gz MKVRYSABYFNMQH-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCSC1 ZINC000925218328 646212251 /nfs/dbraw/zinc/21/22/51/646212251.db2.gz LLQWXDDQJYYEMG-FXJUQPSGSA-N 2 1 240.416 1.812 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637124 646213396 /nfs/dbraw/zinc/21/33/96/646213396.db2.gz DGITWBJGVRPMEE-XQQFMLRXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689124 646247885 /nfs/dbraw/zinc/24/78/85/646247885.db2.gz BWJPJHIFSDRIBD-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925481213 646293853 /nfs/dbraw/zinc/29/38/53/646293853.db2.gz IEHXIZUVYYZUQG-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925482548 646295323 /nfs/dbraw/zinc/29/53/23/646295323.db2.gz NIBXPRIGPMMSDD-SDDRHHMPSA-N 2 1 226.364 1.268 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925483794 646295566 /nfs/dbraw/zinc/29/55/66/646295566.db2.gz YOJYSGFWFLCRKU-NWDGAFQWSA-N 2 1 226.364 1.412 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925483793 646295599 /nfs/dbraw/zinc/29/55/99/646295599.db2.gz YOJYSGFWFLCRKU-NEPJUHHUSA-N 2 1 226.364 1.412 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOC2CC2)C1 ZINC000929780561 646298424 /nfs/dbraw/zinc/29/84/24/646298424.db2.gz OURWGNYIYHQXCJ-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOC2CC2)C1 ZINC000929780561 646298430 /nfs/dbraw/zinc/29/84/30/646298430.db2.gz OURWGNYIYHQXCJ-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOC2CC2)C1 ZINC000929780561 646298438 /nfs/dbraw/zinc/29/84/38/646298438.db2.gz OURWGNYIYHQXCJ-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)N(C)C ZINC000925490380 646298795 /nfs/dbraw/zinc/29/87/95/646298795.db2.gz BCOWEVCLYDDMBI-UTUOFQBUSA-N 2 1 227.396 1.432 20 0 BDADMP C[C@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925500043 646304001 /nfs/dbraw/zinc/30/40/01/646304001.db2.gz WOSIJTPGBCLLQP-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](CC)CO)C1 ZINC000929777107 646306757 /nfs/dbraw/zinc/30/67/57/646306757.db2.gz AIENVEDEIDPKKG-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000925530381 646319573 /nfs/dbraw/zinc/31/95/73/646319573.db2.gz KDYOLGLKICUNDP-XDQVBPFNSA-N 2 1 240.391 1.658 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOC2CC2)C1 ZINC000929792292 646320357 /nfs/dbraw/zinc/32/03/57/646320357.db2.gz YVIQYSUIXUXHFN-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925562141 646335471 /nfs/dbraw/zinc/33/54/71/646335471.db2.gz VIEJQODAFLSXBA-NWDGAFQWSA-N 2 1 226.364 1.412 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000925563116 646336472 /nfs/dbraw/zinc/33/64/72/646336472.db2.gz RMZCQNBRZZBIHG-XQQFMLRXSA-N 2 1 237.391 1.343 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925580500 646345040 /nfs/dbraw/zinc/34/50/40/646345040.db2.gz LCCMANXMIQZRET-GHMZBOCLSA-N 2 1 214.353 1.124 20 0 BDADMP Cc1ncc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)s1 ZINC000925616150 646364718 /nfs/dbraw/zinc/36/47/18/646364718.db2.gz KIGRXAMEAHMBGY-NSHDSACASA-N 2 1 239.388 1.724 20 0 BDADMP C[N@@H+]1CC=C(CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925634416 646378041 /nfs/dbraw/zinc/37/80/41/646378041.db2.gz IJDKGMFHAGPUHY-ZDUSSCGKSA-N 2 1 235.375 1.123 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925634416 646378049 /nfs/dbraw/zinc/37/80/49/646378049.db2.gz IJDKGMFHAGPUHY-ZDUSSCGKSA-N 3 1 235.375 1.123 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925634416 646378055 /nfs/dbraw/zinc/37/80/55/646378055.db2.gz IJDKGMFHAGPUHY-ZDUSSCGKSA-N 3 1 235.375 1.123 20 0 BDADMP CCOC1CC(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925649141 646389001 /nfs/dbraw/zinc/38/90/01/646389001.db2.gz HUNHQINNTOYDLU-ABXWRUBCSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1nccs1 ZINC000925647863 646389736 /nfs/dbraw/zinc/38/97/36/646389736.db2.gz JLSKLXLWHNNWKE-UWVGGRQHSA-N 2 1 239.388 1.977 20 0 BDADMP OCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925647977 646389805 /nfs/dbraw/zinc/38/98/05/646389805.db2.gz LKAORCIMJLKMSW-GFCCVEGCSA-N 2 1 238.375 1.413 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925673207 646402401 /nfs/dbraw/zinc/40/24/01/646402401.db2.gz ZOMPYCIIXLHBDI-STQMWFEESA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1NCCC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000925672220 646403302 /nfs/dbraw/zinc/40/33/02/646403302.db2.gz UPEAFNPYUMAERC-YUELXQCFSA-N 2 1 248.370 1.320 20 0 BDADMP Cc1nccn1CCC[N@H+](C)CCOC1CC1 ZINC000930060077 646415594 /nfs/dbraw/zinc/41/55/94/646415594.db2.gz JLKMBJBIHABEIG-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOC1CC1 ZINC000930060077 646415598 /nfs/dbraw/zinc/41/55/98/646415598.db2.gz JLKMBJBIHABEIG-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOC1CC1 ZINC000930060077 646415601 /nfs/dbraw/zinc/41/56/01/646415601.db2.gz JLKMBJBIHABEIG-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000925691380 646417111 /nfs/dbraw/zinc/41/71/11/646417111.db2.gz LRQRJMACIPGAGF-NEPJUHHUSA-N 2 1 224.348 1.022 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925692129 646418634 /nfs/dbraw/zinc/41/86/34/646418634.db2.gz ZJENVMJRVSTMFB-XQQFMLRXSA-N 2 1 238.375 1.412 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CS1 ZINC000925697513 646421339 /nfs/dbraw/zinc/42/13/39/646421339.db2.gz OUJZRVKVFNXSHE-MXWKQRLJSA-N 2 1 226.389 1.755 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925699899 646423291 /nfs/dbraw/zinc/42/32/91/646423291.db2.gz LVLNDXBKFYQXQT-XDQVBPFNSA-N 3 1 239.407 1.482 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NCCC[C@@H]1CCC[NH2+]1 ZINC000925703646 646425595 /nfs/dbraw/zinc/42/55/95/646425595.db2.gz DOQPHWUJTROYQR-NWDGAFQWSA-N 2 1 225.380 1.249 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+]C1(C)C ZINC000925713346 646438517 /nfs/dbraw/zinc/43/85/17/646438517.db2.gz XQELUTAIZOIEOM-GHMZBOCLSA-N 2 1 213.369 1.234 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000925725112 646449439 /nfs/dbraw/zinc/44/94/39/646449439.db2.gz HFDCFVJOCUWVGC-SNIKSBKOSA-N 2 1 248.370 1.284 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925724869 646450663 /nfs/dbraw/zinc/45/06/63/646450663.db2.gz FFFIBKHPXLISPG-SRVKXCTJSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)[C@@H](C)O1 ZINC000925726619 646451858 /nfs/dbraw/zinc/45/18/58/646451858.db2.gz VALKPEAEHQUMIS-CHWFTXMASA-N 2 1 212.337 1.282 20 0 BDADMP CC1(C)CO[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925729627 646453739 /nfs/dbraw/zinc/45/37/39/646453739.db2.gz KVHCVQBWNHRAGH-MNOVXSKESA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])c2nccn21 ZINC000925738682 646460920 /nfs/dbraw/zinc/46/09/20/646460920.db2.gz SJINIMDZWQAOQP-UWVGGRQHSA-N 2 1 222.336 1.606 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774943 646472753 /nfs/dbraw/zinc/47/27/53/646472753.db2.gz YDXDHTBKOJWBQJ-JQWIXIFHSA-N 2 1 235.331 1.769 20 0 BDADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925782204 646479789 /nfs/dbraw/zinc/47/97/89/646479789.db2.gz INJYJJQXIASWSY-CSYMLDBXSA-N 2 1 226.364 1.243 20 0 BDADMP C(CC[NH2+]C1CCCC1)CC[NH+]1CCNCC1 ZINC000925851341 646509650 /nfs/dbraw/zinc/50/96/50/646509650.db2.gz XRJJLJVVKMKHLH-UHFFFAOYSA-N 2 1 239.407 1.594 20 0 BDADMP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925873633 646524507 /nfs/dbraw/zinc/52/45/07/646524507.db2.gz LAVOKQYLOHOKEL-GFCCVEGCSA-N 2 1 248.374 1.529 20 0 BDADMP C[C@H]1CC2(CC([NH2+]CCc3c[nH+]cn3C)C2)CO1 ZINC000926202126 646594097 /nfs/dbraw/zinc/59/40/97/646594097.db2.gz BHALLMPIUADEFE-DCBWTQNWSA-N 2 1 249.358 1.510 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926330810 646619192 /nfs/dbraw/zinc/61/91/92/646619192.db2.gz OFEMICMNTHCHMK-JHJVBQTASA-N 2 1 242.407 1.977 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1CC[NH3+] ZINC000723887091 711543340 /nfs/dbraw/zinc/54/33/40/711543340.db2.gz QFRKLUXUJZKSIQ-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)O1 ZINC000723916492 711545040 /nfs/dbraw/zinc/54/50/40/711545040.db2.gz WWIDUBUTGXIHPO-LPWJVIDDSA-N 2 1 226.364 1.471 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000723962527 711548071 /nfs/dbraw/zinc/54/80/71/711548071.db2.gz FNDCHNOBXUNWEQ-GFCCVEGCSA-N 2 1 236.363 1.289 20 0 BDADMP C[N@@H+](CCc1cn[nH]c1)C1CCC([NH3+])CC1 ZINC000309287938 711672652 /nfs/dbraw/zinc/67/26/52/711672652.db2.gz ILDYYGYPMWEIAJ-UHFFFAOYSA-N 2 1 222.336 1.154 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@H]1CCCO1 ZINC000334979423 711719476 /nfs/dbraw/zinc/71/94/76/711719476.db2.gz HMVXTZRSVFGHRL-OLZOCXBDSA-N 2 1 224.348 1.383 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@H]1CCCO1 ZINC000334979423 711719478 /nfs/dbraw/zinc/71/94/78/711719478.db2.gz HMVXTZRSVFGHRL-OLZOCXBDSA-N 2 1 224.348 1.383 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093210639 711726717 /nfs/dbraw/zinc/72/67/17/711726717.db2.gz KVJMXZGTHHPYBR-OCCSQVGLSA-N 3 1 239.407 1.719 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)C(C)C ZINC000721912309 711917552 /nfs/dbraw/zinc/91/75/52/711917552.db2.gz LZDLMVPUNDTLHZ-QWHCGFSZSA-N 2 1 228.380 1.576 20 0 BDADMP Cc1cc(N[C@H]2C[NH2+]CC2(C)C)nc(C)[nH+]1 ZINC000721937072 711941061 /nfs/dbraw/zinc/94/10/61/711941061.db2.gz DMPGBMQLQIRTLB-JTQLQIEISA-N 2 1 220.320 1.503 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2(C)CCCC2)C1 ZINC000702598110 712056129 /nfs/dbraw/zinc/05/61/29/712056129.db2.gz BCJFREFDIVSOLZ-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2(C)CCCC2)C1 ZINC000702598110 712056132 /nfs/dbraw/zinc/05/61/32/712056132.db2.gz BCJFREFDIVSOLZ-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000704774337 712116442 /nfs/dbraw/zinc/11/64/42/712116442.db2.gz WFAZRVRGIDSNBM-QJPTWQEYSA-N 2 1 228.405 1.860 20 0 BDADMP CCC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000708976974 712205358 /nfs/dbraw/zinc/20/53/58/712205358.db2.gz YXULFNQIXBHZSF-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000708976974 712205359 /nfs/dbraw/zinc/20/53/59/712205359.db2.gz YXULFNQIXBHZSF-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO[C@H]1CC1(F)F)C2 ZINC000709882695 712230746 /nfs/dbraw/zinc/23/07/46/712230746.db2.gz QTZYXAZUZNYJNO-VLEAKVRGSA-N 2 1 246.301 1.222 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCC[NH3+])CCN1C ZINC000710725076 712255562 /nfs/dbraw/zinc/25/55/62/712255562.db2.gz SGBRWKDEGVPIJI-KGLIPLIRSA-N 2 1 241.423 1.920 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCC[NH3+])CC[N@@H+]1C ZINC000710725076 712255563 /nfs/dbraw/zinc/25/55/63/712255563.db2.gz SGBRWKDEGVPIJI-KGLIPLIRSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCC[NH3+])CC[N@H+]1C ZINC000710725076 712255565 /nfs/dbraw/zinc/25/55/65/712255565.db2.gz SGBRWKDEGVPIJI-KGLIPLIRSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCC[NH3+])CC[NH+]1C ZINC000710725076 712255567 /nfs/dbraw/zinc/25/55/67/712255567.db2.gz SGBRWKDEGVPIJI-KGLIPLIRSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCC[NH3+])CC[NH+]1C ZINC000710725076 712255569 /nfs/dbraw/zinc/25/55/69/712255569.db2.gz SGBRWKDEGVPIJI-KGLIPLIRSA-N 3 1 241.423 1.920 20 0 BDADMP COC1(OC)CC[C@H]1[NH2+][C@H](C)CC[NH+](C)C ZINC000710962435 712269179 /nfs/dbraw/zinc/26/91/79/712269179.db2.gz SRBNHCCZKLCQHK-GHMZBOCLSA-N 2 1 230.352 1.068 20 0 BDADMP COC1(OC)CC[C@H]1[NH2+][C@@H](C)CC[NH+](C)C ZINC000710962954 712269198 /nfs/dbraw/zinc/26/91/98/712269198.db2.gz SRBNHCCZKLCQHK-WDEREUQCSA-N 2 1 230.352 1.068 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711450113 712301611 /nfs/dbraw/zinc/30/16/11/712301611.db2.gz JHDJBKCOICVKPZ-STQMWFEESA-N 2 1 246.370 1.369 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711450113 712301614 /nfs/dbraw/zinc/30/16/14/712301614.db2.gz JHDJBKCOICVKPZ-STQMWFEESA-N 2 1 246.370 1.369 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOC3CC3)C[C@@H]21 ZINC000711759915 712326541 /nfs/dbraw/zinc/32/65/41/712326541.db2.gz RDTWSYXHIUGQJA-WCFLWFBJSA-N 2 1 224.348 1.225 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479178 712334556 /nfs/dbraw/zinc/33/45/56/712334556.db2.gz NXVUMVQHILULBT-LLVKDONJSA-N 2 1 237.347 1.716 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CCCOC(F)(F)F ZINC000713399359 712459047 /nfs/dbraw/zinc/45/90/47/712459047.db2.gz YAKYDJFIQQFCLH-ZETCQYMHSA-N 2 1 214.231 1.192 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000714441795 712489413 /nfs/dbraw/zinc/48/94/13/712489413.db2.gz BTPPMNDHCZGWTG-BJHJDKERSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000715513678 712524951 /nfs/dbraw/zinc/52/49/51/712524951.db2.gz SCPZEQVXXIGOHD-ROKHWSDSSA-N 3 1 239.407 1.591 20 0 BDADMP C[N@@H+](CCCF)CC[C@H]1CCC[NH2+]C1 ZINC000716807235 712575712 /nfs/dbraw/zinc/57/57/12/712575712.db2.gz XUNIGYMMFGNNOZ-LLVKDONJSA-N 2 1 202.317 1.668 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@H]1CCCC[NH2+]1 ZINC000380213360 712727176 /nfs/dbraw/zinc/72/71/76/712727176.db2.gz IPLMRXXAGOMZHX-YNEHKIRRSA-N 2 1 224.348 1.799 20 0 BDADMP c1cc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)sn1 ZINC000719845421 712825440 /nfs/dbraw/zinc/82/54/40/712825440.db2.gz OHIUJEWDPISPLM-ZYHUDNBSSA-N 2 1 237.372 1.369 20 0 BDADMP c1cc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)sn1 ZINC000719845421 712825441 /nfs/dbraw/zinc/82/54/41/712825441.db2.gz OHIUJEWDPISPLM-ZYHUDNBSSA-N 2 1 237.372 1.369 20 0 BDADMP CCOCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720809516 712866773 /nfs/dbraw/zinc/86/67/73/712866773.db2.gz ZXCWNTKJODCNTA-DTWKUNHWSA-N 2 1 240.269 1.092 20 0 BDADMP CCOCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720809516 712866774 /nfs/dbraw/zinc/86/67/74/712866774.db2.gz ZXCWNTKJODCNTA-DTWKUNHWSA-N 2 1 240.269 1.092 20 0 BDADMP CCOCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720809515 712866783 /nfs/dbraw/zinc/86/67/83/712866783.db2.gz ZXCWNTKJODCNTA-BDAKNGLRSA-N 2 1 240.269 1.092 20 0 BDADMP CCOCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720809515 712866784 /nfs/dbraw/zinc/86/67/84/712866784.db2.gz ZXCWNTKJODCNTA-BDAKNGLRSA-N 2 1 240.269 1.092 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721915837 710689897 /nfs/dbraw/zinc/68/98/97/710689897.db2.gz VUGPUCOZTGRKBL-RWMBFGLXSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@H]1CC[NH3+] ZINC000723887715 710732942 /nfs/dbraw/zinc/73/29/42/710732942.db2.gz PXBCIGALEAAARM-GRYCIOLGSA-N 2 1 228.405 1.656 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CC[NH3+] ZINC000723891082 710733313 /nfs/dbraw/zinc/73/33/13/710733313.db2.gz KQVJRGOEXIQWKW-XGFWRYKXSA-N 2 1 222.376 1.949 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000380532239 712901449 /nfs/dbraw/zinc/90/14/49/712901449.db2.gz DVRALTRJHCRLNP-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000380532239 712901450 /nfs/dbraw/zinc/90/14/50/712901450.db2.gz DVRALTRJHCRLNP-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)o1 ZINC000382161813 710801559 /nfs/dbraw/zinc/80/15/59/710801559.db2.gz COSJJBGRLGGGRF-KWQFWETISA-N 2 1 223.320 1.603 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)o1 ZINC000382161813 710801562 /nfs/dbraw/zinc/80/15/62/710801562.db2.gz COSJJBGRLGGGRF-KWQFWETISA-N 2 1 223.320 1.603 20 0 BDADMP COCCOCCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396678943 710907139 /nfs/dbraw/zinc/90/71/39/710907139.db2.gz VCHSGHOGBHBQSO-OLZOCXBDSA-N 2 1 244.379 1.160 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396712765 710907151 /nfs/dbraw/zinc/90/71/51/710907151.db2.gz RRTSVNZABPCEEH-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000382657855 710972667 /nfs/dbraw/zinc/97/26/67/710972667.db2.gz HERGCSIYAWLXIQ-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000382657855 710972672 /nfs/dbraw/zinc/97/26/72/710972672.db2.gz HERGCSIYAWLXIQ-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+](C[C@@H](O)CC1CCCC1)C1(C[NH3+])CCC1 ZINC000385131725 711006240 /nfs/dbraw/zinc/00/62/40/711006240.db2.gz AICFPHQRPVJNEZ-ZDUSSCGKSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1C ZINC000380718647 712902920 /nfs/dbraw/zinc/90/29/20/712902920.db2.gz GJBUSZXMCDGGAY-HLTSFMKQSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1C ZINC000380718647 712902921 /nfs/dbraw/zinc/90/29/21/712902921.db2.gz GJBUSZXMCDGGAY-HLTSFMKQSA-N 2 1 206.280 1.699 20 0 BDADMP CC[C@@H](C)C[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000393903024 711178537 /nfs/dbraw/zinc/17/85/37/711178537.db2.gz QJTKZRJRWMEJFU-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000393903024 711178540 /nfs/dbraw/zinc/17/85/40/711178540.db2.gz QJTKZRJRWMEJFU-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H](C)C[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000393903020 711178748 /nfs/dbraw/zinc/17/87/48/711178748.db2.gz QJTKZRJRWMEJFU-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000393903020 711178750 /nfs/dbraw/zinc/17/87/50/711178750.db2.gz QJTKZRJRWMEJFU-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1ccccc1OCC[N@H+](C)C1CC([NH3+])C1 ZINC000395029843 711201308 /nfs/dbraw/zinc/20/13/08/711201308.db2.gz GWRXXCPFIOFSBK-UHFFFAOYSA-N 2 1 234.343 1.795 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCCCO ZINC000396617559 711361026 /nfs/dbraw/zinc/36/10/26/711361026.db2.gz GTAYKFQEPSHDAV-RYUDHWBXSA-N 2 1 214.353 1.269 20 0 BDADMP COCCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396561894 711355379 /nfs/dbraw/zinc/35/53/79/711355379.db2.gz IGBOVNGPTOCYEA-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)c1nccs1 ZINC000396610337 711358342 /nfs/dbraw/zinc/35/83/42/711358342.db2.gz JTMNKNNAGCMHDZ-VWYCJHECSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)c1nccs1 ZINC000396610329 711358752 /nfs/dbraw/zinc/35/87/52/711358752.db2.gz JTMNKNNAGCMHDZ-MXWKQRLJSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000396592010 711359780 /nfs/dbraw/zinc/35/97/80/711359780.db2.gz UDWGPPOILZKIQZ-HTQZYQBOSA-N 2 1 242.310 1.970 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000396722083 711367955 /nfs/dbraw/zinc/36/79/55/711367955.db2.gz UISSNAOLXZGOLH-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)O1 ZINC000398094833 711400793 /nfs/dbraw/zinc/40/07/93/711400793.db2.gz POYAYHBTXNPRAF-DDHJBXDOSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOC(F)F ZINC000398273101 711406759 /nfs/dbraw/zinc/40/67/59/711406759.db2.gz HGIUBMYAMNTTSX-BDAKNGLRSA-N 2 1 222.279 1.346 20 0 BDADMP C[C@H]1COCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000399078843 711420619 /nfs/dbraw/zinc/42/06/19/711420619.db2.gz WAFWUTQOVABZOM-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1COCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000399078843 711420623 /nfs/dbraw/zinc/42/06/23/711420623.db2.gz WAFWUTQOVABZOM-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1COCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000399172624 711423587 /nfs/dbraw/zinc/42/35/87/711423587.db2.gz OXWDXISEIWWLGY-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000721909854 710691148 /nfs/dbraw/zinc/69/11/48/710691148.db2.gz CFGZQTSUZHGYBA-HZSPNIEDSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000721909854 710691151 /nfs/dbraw/zinc/69/11/51/710691151.db2.gz CFGZQTSUZHGYBA-HZSPNIEDSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000721961590 710694633 /nfs/dbraw/zinc/69/46/33/710694633.db2.gz FJALMLZKOAYDCS-KBPBESRZSA-N 2 1 240.391 1.590 20 0 BDADMP OC1CC2(C[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000724987275 710752490 /nfs/dbraw/zinc/75/24/90/710752490.db2.gz UKYZPPLGLXIMGY-WCCYQHBJSA-N 2 1 236.359 1.116 20 0 BDADMP C[C@H]([NH2+]CCc1ccnn1C)[C@H]1CCCC[NH2+]1 ZINC000385965655 711021050 /nfs/dbraw/zinc/02/10/50/711021050.db2.gz GBHFBJACPNWVEZ-WCQYABFASA-N 2 1 236.363 1.083 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386572149 711032696 /nfs/dbraw/zinc/03/26/96/711032696.db2.gz LZMLTKUWLRVBCK-FRRDWIJNSA-N 2 1 228.380 1.514 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396721256 711367276 /nfs/dbraw/zinc/36/72/76/711367276.db2.gz WCJRNYYIMHYJLW-IUODEOHRSA-N 2 1 248.370 1.968 20 0 BDADMP CCC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)OC ZINC000396729970 711369669 /nfs/dbraw/zinc/36/96/69/711369669.db2.gz XTWKMWQOVNEFDE-IJLUTSLNSA-N 2 1 214.353 1.532 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@H]1CCOC1 ZINC000399572310 711431861 /nfs/dbraw/zinc/43/18/61/711431861.db2.gz JECIQBNLOIVTEJ-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000235708469 711524721 /nfs/dbraw/zinc/52/47/21/711524721.db2.gz WXZNNDMTWRDGTB-CYBMUJFWSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000235708469 711524722 /nfs/dbraw/zinc/52/47/22/711524722.db2.gz WXZNNDMTWRDGTB-CYBMUJFWSA-N 2 1 222.307 1.996 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000723627016 711526498 /nfs/dbraw/zinc/52/64/98/711526498.db2.gz LDFKNINEGKSXFL-LBPRGKRZSA-N 2 1 223.320 1.462 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000723627016 711526500 /nfs/dbraw/zinc/52/65/00/711526500.db2.gz LDFKNINEGKSXFL-LBPRGKRZSA-N 2 1 223.320 1.462 20 0 BDADMP Cc1conc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723701418 711534953 /nfs/dbraw/zinc/53/49/53/711534953.db2.gz CCMUUVIAFJUORU-SNVBAGLBSA-N 2 1 209.293 1.154 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000723713568 711535294 /nfs/dbraw/zinc/53/52/94/711535294.db2.gz STWHVPADFXCSHJ-UONOGXRCSA-N 2 1 240.391 1.598 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723708794 711535735 /nfs/dbraw/zinc/53/57/35/711535735.db2.gz INROJQYPYPSHIG-SNVBAGLBSA-N 2 1 209.293 1.154 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711786 711535794 /nfs/dbraw/zinc/53/57/94/711535794.db2.gz IPJYOFKHVDUWJM-NSHDSACASA-N 2 1 239.388 1.665 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000723875797 711541566 /nfs/dbraw/zinc/54/15/66/711541566.db2.gz DOCITZZAVMXPIO-HNNXBMFYSA-N 2 1 245.370 1.884 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000723875797 711541567 /nfs/dbraw/zinc/54/15/67/711541567.db2.gz DOCITZZAVMXPIO-HNNXBMFYSA-N 2 1 245.370 1.884 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccn1 ZINC000723895479 711544256 /nfs/dbraw/zinc/54/42/56/711544256.db2.gz XDOBISDTRQONPN-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCCCC1CC1)C1CC1 ZINC000716383452 711573456 /nfs/dbraw/zinc/57/34/56/711573456.db2.gz BZOTUVZXIDADKS-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCC1CC1)C1CC1 ZINC000716383452 711573459 /nfs/dbraw/zinc/57/34/59/711573459.db2.gz BZOTUVZXIDADKS-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000309060909 711585892 /nfs/dbraw/zinc/58/58/92/711585892.db2.gz VTQMYTOVBPTCAX-BBBLOLIVSA-N 2 1 220.307 1.947 20 0 BDADMP Cc1[nH]c(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(C)[nH+]1 ZINC000724774953 711611007 /nfs/dbraw/zinc/61/10/07/711611007.db2.gz WREZNQTZJGDFCY-QWHCGFSZSA-N 2 1 248.374 1.695 20 0 BDADMP Cc1[nH]c(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(C)[nH+]1 ZINC000724774953 711611009 /nfs/dbraw/zinc/61/10/09/711611009.db2.gz WREZNQTZJGDFCY-QWHCGFSZSA-N 2 1 248.374 1.695 20 0 BDADMP OC1CC2(C[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000724988161 711641521 /nfs/dbraw/zinc/64/15/21/711641521.db2.gz XZLOLEMRHBPLKH-MOKVOYLWSA-N 2 1 236.359 1.116 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@H](C)OC ZINC000383109739 711672302 /nfs/dbraw/zinc/67/23/02/711672302.db2.gz MUPBXMBBLCTWGN-STQMWFEESA-N 2 1 246.395 1.044 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@H](C)OC ZINC000383109739 711672303 /nfs/dbraw/zinc/67/23/03/711672303.db2.gz MUPBXMBBLCTWGN-STQMWFEESA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@H](C)OC ZINC000383109739 711672305 /nfs/dbraw/zinc/67/23/05/711672305.db2.gz MUPBXMBBLCTWGN-STQMWFEESA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C[C@H](C)OC ZINC000383109739 711672306 /nfs/dbraw/zinc/67/23/06/711672306.db2.gz MUPBXMBBLCTWGN-STQMWFEESA-N 2 1 246.395 1.044 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000393787861 711678674 /nfs/dbraw/zinc/67/86/74/711678674.db2.gz FYEQJYLUWAEWGN-CMPLNLGQSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000393787861 711678675 /nfs/dbraw/zinc/67/86/75/711678675.db2.gz FYEQJYLUWAEWGN-CMPLNLGQSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925879802 711762062 /nfs/dbraw/zinc/76/20/62/711762062.db2.gz CKWCUEQGZDHIJC-NDBYEHHHSA-N 2 1 208.349 1.907 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879622188 711771065 /nfs/dbraw/zinc/77/10/65/711771065.db2.gz IVJRZULEFHURKF-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622188 711771066 /nfs/dbraw/zinc/77/10/66/711771066.db2.gz IVJRZULEFHURKF-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622188 711771068 /nfs/dbraw/zinc/77/10/68/711771068.db2.gz IVJRZULEFHURKF-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000721918292 711919583 /nfs/dbraw/zinc/91/95/83/711919583.db2.gz DCRXZPULRQKHLJ-NNYUYHANSA-N 2 1 212.337 1.081 20 0 BDADMP COC[C@H](C[N@@H+](C)CC(C)(C)[NH3+])C(C)C ZINC000721918597 711920068 /nfs/dbraw/zinc/92/00/68/711920068.db2.gz KSCJOGXCMATWQM-NSHDSACASA-N 2 1 216.369 1.574 20 0 BDADMP COC[C@H](C[N@@H+](C)C1CC([NH3+])C1)C(C)C ZINC000721921393 711937211 /nfs/dbraw/zinc/93/72/11/711937211.db2.gz RNRACCWYBVBHBP-UNXYVOJBSA-N 2 1 214.353 1.327 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000721959058 711948110 /nfs/dbraw/zinc/94/81/10/711948110.db2.gz DVWSGUXTMKOSGO-HTVCTNPSSA-N 2 1 240.391 1.717 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700382840 711991631 /nfs/dbraw/zinc/99/16/31/711991631.db2.gz GIZSLBQXQAWAJM-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000702050456 712037320 /nfs/dbraw/zinc/03/73/20/712037320.db2.gz YSPYEUHATJUBDP-ZUWCUPBKSA-N 2 1 220.360 1.574 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703023205 712065059 /nfs/dbraw/zinc/06/50/59/712065059.db2.gz JLDAASASUGJNMD-IYXRBSQSSA-N 2 1 242.407 1.998 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703023205 712065061 /nfs/dbraw/zinc/06/50/61/712065061.db2.gz JLDAASASUGJNMD-IYXRBSQSSA-N 2 1 242.407 1.998 20 0 BDADMP COC1CC(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000703296885 712071181 /nfs/dbraw/zinc/07/11/81/712071181.db2.gz BQECTJHTKGLTDD-OTTFEQOBSA-N 2 1 226.364 1.485 20 0 BDADMP COC1CC(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000703900393 712093152 /nfs/dbraw/zinc/09/31/52/712093152.db2.gz WTDSOEFNAAIUDJ-VQXHTEKXSA-N 2 1 212.337 1.081 20 0 BDADMP COC1CC(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000703900393 712093153 /nfs/dbraw/zinc/09/31/53/712093153.db2.gz WTDSOEFNAAIUDJ-VQXHTEKXSA-N 2 1 212.337 1.081 20 0 BDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH+]c(CO)c1 ZINC000705127418 712122643 /nfs/dbraw/zinc/12/26/43/712122643.db2.gz AOGMGVGHVRWISM-GFCCVEGCSA-N 2 1 249.358 1.352 20 0 BDADMP CCC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705657718 712135290 /nfs/dbraw/zinc/13/52/90/712135290.db2.gz FWHBEPLSUUHNHO-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705657718 712135291 /nfs/dbraw/zinc/13/52/91/712135291.db2.gz FWHBEPLSUUHNHO-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705657718 712135292 /nfs/dbraw/zinc/13/52/92/712135292.db2.gz FWHBEPLSUUHNHO-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705657718 712135293 /nfs/dbraw/zinc/13/52/93/712135293.db2.gz FWHBEPLSUUHNHO-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP COC[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000705819826 712136661 /nfs/dbraw/zinc/13/66/61/712136661.db2.gz MVIQDNOMMKGFSU-ZDUSSCGKSA-N 2 1 244.379 1.243 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCC12CC2)CC(F)F ZINC000706581947 712150492 /nfs/dbraw/zinc/15/04/92/712150492.db2.gz LZYJBRZKYQUJBK-RKDXNWHRSA-N 2 1 218.291 1.891 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])CCn1cccn1 ZINC000707399465 712170197 /nfs/dbraw/zinc/17/01/97/712170197.db2.gz HPRCCHUNTYUTOI-UHFFFAOYSA-N 2 1 238.379 1.724 20 0 BDADMP CCOC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000707513723 712171987 /nfs/dbraw/zinc/17/19/87/712171987.db2.gz QSHZBXYKNKOGAC-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000707513723 712171990 /nfs/dbraw/zinc/17/19/90/712171990.db2.gz QSHZBXYKNKOGAC-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000707663801 712175979 /nfs/dbraw/zinc/17/59/79/712175979.db2.gz XFWDMJCMWZDGDM-CYBMUJFWSA-N 2 1 226.364 1.618 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C[C@H]1C[NH3+] ZINC000708080684 712181536 /nfs/dbraw/zinc/18/15/36/712181536.db2.gz BINNJIXDTLLJEG-XGFWRYKXSA-N 2 1 238.375 1.471 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000708323449 712187481 /nfs/dbraw/zinc/18/74/81/712187481.db2.gz NBRMOURLRDHOKP-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CC[C@H]1C[NH3+] ZINC000708352843 712190022 /nfs/dbraw/zinc/19/00/22/712190022.db2.gz DKODLEKSQVYTJW-FRRDWIJNSA-N 2 1 240.391 1.718 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000709033890 712206022 /nfs/dbraw/zinc/20/60/22/712206022.db2.gz BQLNGAJZZHUPPT-KKOKHZNYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[N@@H+](C3CC3)C1)[NH2+]2 ZINC000709487731 712222729 /nfs/dbraw/zinc/22/27/29/712222729.db2.gz BRFSBNGTNKGYDP-BUONHZGMSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[N@H+](C3CC3)C1)[NH2+]2 ZINC000709487731 712222732 /nfs/dbraw/zinc/22/27/32/712222732.db2.gz BRFSBNGTNKGYDP-BUONHZGMSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@@H](O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709853606 712230007 /nfs/dbraw/zinc/23/00/07/712230007.db2.gz WLAAGCHZKCQMDT-LLVKDONJSA-N 2 1 214.353 1.173 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO[C@@H]1CC1(F)F)C2 ZINC000709882699 712230445 /nfs/dbraw/zinc/23/04/45/712230445.db2.gz QTZYXAZUZNYJNO-XWLWVQCSSA-N 2 1 246.301 1.222 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cn(C)cn1 ZINC000709911242 712233140 /nfs/dbraw/zinc/23/31/40/712233140.db2.gz UHJUDSKGMZPGKE-NSHDSACASA-N 2 1 234.347 1.333 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn(C)cn1 ZINC000709911242 712233143 /nfs/dbraw/zinc/23/31/43/712233143.db2.gz UHJUDSKGMZPGKE-NSHDSACASA-N 2 1 234.347 1.333 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710048326 712243495 /nfs/dbraw/zinc/24/34/95/712243495.db2.gz PUSWDWHLFFITSG-NSHDSACASA-N 2 1 247.346 1.666 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710508863 712253745 /nfs/dbraw/zinc/25/37/45/712253745.db2.gz OZWNRHAWFGUFCO-JGPRNRPPSA-N 2 1 232.318 1.819 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000711249522 712291251 /nfs/dbraw/zinc/29/12/51/712291251.db2.gz LFFHPBKYVIRZOG-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000711247441 712291472 /nfs/dbraw/zinc/29/14/72/712291472.db2.gz FENXEABNHOXQMS-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CF)C1 ZINC000711450113 712301610 /nfs/dbraw/zinc/30/16/10/712301610.db2.gz JHDJBKCOICVKPZ-STQMWFEESA-N 2 1 246.370 1.369 20 0 BDADMP FC[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000711452232 712302395 /nfs/dbraw/zinc/30/23/95/712302395.db2.gz GTLBKXIOAPUGRX-NSHDSACASA-N 2 1 200.301 1.277 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CCC[NH2+]C1 ZINC000711589761 712310984 /nfs/dbraw/zinc/31/09/84/712310984.db2.gz IBCPTIINDFWTMK-FRRDWIJNSA-N 2 1 240.416 1.671 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCOC(F)(F)F ZINC000713398270 712459109 /nfs/dbraw/zinc/45/91/09/712459109.db2.gz GFWKFNKVERUMLR-UHFFFAOYSA-N 2 1 214.231 1.194 20 0 BDADMP CC1(C)CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000714375495 712484474 /nfs/dbraw/zinc/48/44/74/712484474.db2.gz UWWMAPULBGFDEZ-XQQFMLRXSA-N 2 1 238.375 1.485 20 0 BDADMP CCC1([NH3+])CC[NH+](Cc2c(C)noc2C)CC1 ZINC000714750290 712497349 /nfs/dbraw/zinc/49/73/49/712497349.db2.gz PPKZXZFSNQATSG-UHFFFAOYSA-N 2 1 237.347 1.995 20 0 BDADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714878670 712502561 /nfs/dbraw/zinc/50/25/61/712502561.db2.gz LEFAMHQYPRXPGO-BARDWOONSA-N 2 1 234.387 1.964 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715493005 712523287 /nfs/dbraw/zinc/52/32/87/712523287.db2.gz BIMNHHNVNVWNSL-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715493005 712523289 /nfs/dbraw/zinc/52/32/89/712523289.db2.gz BIMNHHNVNVWNSL-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715493406 712523352 /nfs/dbraw/zinc/52/33/52/712523352.db2.gz BXFCQEHIFDGKGC-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715513108 712524926 /nfs/dbraw/zinc/52/49/26/712524926.db2.gz YTCNVWDOIGEMTA-UONOGXRCSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037157659 712549555 /nfs/dbraw/zinc/54/95/55/712549555.db2.gz QUXODCYOBTUOHD-FUDCBSFHSA-N 2 1 248.374 1.486 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCC2(CCC2)CO1 ZINC000716294989 712553765 /nfs/dbraw/zinc/55/37/65/712553765.db2.gz OUXHIGDVYHQWEV-LBPRGKRZSA-N 2 1 226.364 1.616 20 0 BDADMP Cc1cc(N[C@H](C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000716553647 712563387 /nfs/dbraw/zinc/56/33/87/712563387.db2.gz HZBXGODCEDHUEY-SNVBAGLBSA-N 2 1 234.347 1.893 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCCC(C)(F)F ZINC000718631656 712773904 /nfs/dbraw/zinc/77/39/04/712773904.db2.gz FHKIBGXTJRQJBC-UHFFFAOYSA-N 2 1 238.322 1.590 20 0 BDADMP c1ccc2c(c1)OCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000038041206 712801538 /nfs/dbraw/zinc/80/15/38/712801538.db2.gz VWGDMJFCSLXNSA-CYBMUJFWSA-N 2 1 232.327 1.852 20 0 BDADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000038087901 712806903 /nfs/dbraw/zinc/80/69/03/712806903.db2.gz WDYDXIYSZAJWLF-WODVXLOZSA-N 2 1 225.380 1.151 20 0 BDADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000719649012 712820507 /nfs/dbraw/zinc/82/05/07/712820507.db2.gz SDOPBEGBXYCUBE-GXTWGEPZSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C)[C@H]2C)CC1 ZINC000719649012 712820509 /nfs/dbraw/zinc/82/05/09/712820509.db2.gz SDOPBEGBXYCUBE-GXTWGEPZSA-N 2 1 239.407 1.543 20 0 BDADMP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)cc[nH+]1 ZINC000719772591 712823980 /nfs/dbraw/zinc/82/39/80/712823980.db2.gz BGGUYBUNYGGJHR-GXFFZTMASA-N 2 1 219.332 1.570 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1[NH3+] ZINC000719845911 712825903 /nfs/dbraw/zinc/82/59/03/712825903.db2.gz QRERWWNAKNTMOO-PWSUYJOCSA-N 2 1 239.388 1.745 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000720184369 712828752 /nfs/dbraw/zinc/82/87/52/712828752.db2.gz KTLPDJWUZCJOTD-RYUDHWBXSA-N 2 1 246.395 1.091 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000720387964 712837967 /nfs/dbraw/zinc/83/79/67/712837967.db2.gz AAVVJIWRCLGENN-GWCFXTLKSA-N 2 1 237.347 1.932 20 0 BDADMP Cc1conc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000720387964 712837969 /nfs/dbraw/zinc/83/79/69/712837969.db2.gz AAVVJIWRCLGENN-GWCFXTLKSA-N 2 1 237.347 1.932 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000720415092 712841227 /nfs/dbraw/zinc/84/12/27/712841227.db2.gz KODATGCFFGSPCO-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]CC[N@H+](CC[C@H]1CCCCO1)C(C)C ZINC000720773886 712864951 /nfs/dbraw/zinc/86/49/51/712864951.db2.gz IZBULBGULVZYNR-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP C[NH2+]CC[N@@H+](CC[C@H]1CCCCO1)C(C)C ZINC000720773886 712864953 /nfs/dbraw/zinc/86/49/53/712864953.db2.gz IZBULBGULVZYNR-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP COc1ccc(CC[N@@H+]2C[C@H](N)C(C)(C)C2)cc1 ZINC000720812963 712867954 /nfs/dbraw/zinc/86/79/54/712867954.db2.gz JKJPSSHFFPVODQ-AWEZNQCLSA-N 2 1 248.370 1.907 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@H](N)C(C)(C)C2)cc1 ZINC000720812963 712867960 /nfs/dbraw/zinc/86/79/60/712867960.db2.gz JKJPSSHFFPVODQ-AWEZNQCLSA-N 2 1 248.370 1.907 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720868931 712871858 /nfs/dbraw/zinc/87/18/58/712871858.db2.gz HTPKYNMZRZWLME-RFQIPJPRSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720875873 712872463 /nfs/dbraw/zinc/87/24/63/712872463.db2.gz XXVYBZYOUDATJM-BJJPWKGXSA-N 2 1 238.375 1.756 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720875875 712872580 /nfs/dbraw/zinc/87/25/80/712872580.db2.gz XXVYBZYOUDATJM-POQQGIQPSA-N 2 1 238.375 1.756 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000720872630 712873426 /nfs/dbraw/zinc/87/34/26/712873426.db2.gz ORNRAGISTPNVOA-UBHSHLNASA-N 2 1 238.375 1.628 20 0 BDADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2CCCCCC[NH3+] ZINC000720890424 712874876 /nfs/dbraw/zinc/87/48/76/712874876.db2.gz BKLZIJQXQSUMHU-KGLIPLIRSA-N 2 1 239.407 1.674 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCCOC)C[C@@H]2C1 ZINC001209219035 957365505 /nfs/dbraw/zinc/36/55/05/957365505.db2.gz AFFIGWISBVJZST-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2C1 ZINC001209219035 957365513 /nfs/dbraw/zinc/36/55/13/957365513.db2.gz AFFIGWISBVJZST-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCCOC)C[C@@H]2C1 ZINC001209219035 957365526 /nfs/dbraw/zinc/36/55/26/957365526.db2.gz AFFIGWISBVJZST-OKILXGFUSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC000707700095 958677879 /nfs/dbraw/zinc/67/78/79/958677879.db2.gz RGYICBNVUVDCJR-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC000707700095 958677892 /nfs/dbraw/zinc/67/78/92/958677892.db2.gz RGYICBNVUVDCJR-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@]23C[C@H]2CCC3)CC1 ZINC000693590052 958898624 /nfs/dbraw/zinc/89/86/24/958898624.db2.gz LFVBBTPHQURHKM-YPMHNXCESA-N 2 1 208.349 1.860 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)o1 ZINC000405274469 959431746 /nfs/dbraw/zinc/43/17/46/959431746.db2.gz QQEXKGTYYQYRKM-VXGBXAGGSA-N 2 1 220.316 1.948 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CCC[NH+](C)C1 ZINC000309300634 959846721 /nfs/dbraw/zinc/84/67/21/959846721.db2.gz YDIXHTPVJSWTBS-STQMWFEESA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CCC[NH+](C)C1 ZINC000309300634 959846729 /nfs/dbraw/zinc/84/67/29/959846729.db2.gz YDIXHTPVJSWTBS-STQMWFEESA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CCC[N@H+](C)C1 ZINC000309300634 959846740 /nfs/dbraw/zinc/84/67/40/959846740.db2.gz YDIXHTPVJSWTBS-STQMWFEESA-N 2 1 227.396 1.399 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CCC[N@@H+](C)C1 ZINC000309300634 959846751 /nfs/dbraw/zinc/84/67/51/959846751.db2.gz YDIXHTPVJSWTBS-STQMWFEESA-N 2 1 227.396 1.399 20 0 BDADMP OCCCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385619 960579619 /nfs/dbraw/zinc/57/96/19/960579619.db2.gz RRIOHMOCQQUHIW-CQSZACIVSA-N 2 1 240.391 1.757 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000710767262 962466037 /nfs/dbraw/zinc/46/60/37/962466037.db2.gz DDENXGQAUQGHJL-DAAZQVBGSA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000710767262 962466044 /nfs/dbraw/zinc/46/60/44/962466044.db2.gz DDENXGQAUQGHJL-DAAZQVBGSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712818210 962983427 /nfs/dbraw/zinc/98/34/27/962983427.db2.gz RDVKWGSQOMPYNJ-VXGBXAGGSA-N 2 1 240.347 1.095 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@](C)(O)C2)CC1 ZINC001168313671 964416599 /nfs/dbraw/zinc/41/65/99/964416599.db2.gz FZFWHANDUGQASH-BPCQOVAHSA-N 2 1 226.364 1.316 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697903709 964659979 /nfs/dbraw/zinc/65/99/79/964659979.db2.gz MLMWKOMLYNMOSG-JTQLQIEISA-N 2 1 224.352 1.158 20 0 BDADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001205209328 966844891 /nfs/dbraw/zinc/84/48/91/966844891.db2.gz IPMIQXSDRSDRNG-SECBINFHSA-N 2 1 240.269 1.115 20 0 BDADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204598611 967100604 /nfs/dbraw/zinc/10/06/04/967100604.db2.gz MDPCOSOQXVUXGM-UTUOFQBUSA-N 2 1 226.364 1.974 20 0 BDADMP C[NH+]1CCC(C[N@@H+](CCO)C2CCC2)CC1 ZINC000691346776 967237376 /nfs/dbraw/zinc/23/73/76/967237376.db2.gz DEIWZJIBELHKTB-UHFFFAOYSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@H]1CCCCO1 ZINC001205058631 967316823 /nfs/dbraw/zinc/31/68/23/967316823.db2.gz PJHPXFSNFKURFV-SDDRHHMPSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@H]1CCCCO1 ZINC001205058631 967316831 /nfs/dbraw/zinc/31/68/31/967316831.db2.gz PJHPXFSNFKURFV-SDDRHHMPSA-N 2 1 212.337 1.367 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cn1 ZINC001205545386 967692929 /nfs/dbraw/zinc/69/29/29/967692929.db2.gz FZGLDSVSCHRRRL-LBPRGKRZSA-N 2 1 240.326 1.073 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)o1 ZINC001205582101 967707420 /nfs/dbraw/zinc/70/74/20/967707420.db2.gz WSWHVFJCGNXEDO-GFCCVEGCSA-N 2 1 241.310 1.636 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC001205599888 967720143 /nfs/dbraw/zinc/72/01/43/967720143.db2.gz AMIDXGNRHNTFIV-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205604307 967722576 /nfs/dbraw/zinc/72/25/76/967722576.db2.gz UTIOZMYZCDRXCV-KBPBESRZSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnsc2)CC[C@@H]1C[NH3+] ZINC001205638412 967738406 /nfs/dbraw/zinc/73/84/06/967738406.db2.gz NTLDISVTCZPNNA-CMPLNLGQSA-N 2 1 239.388 1.950 20 0 BDADMP COC(C[N@H+]1CCC[C@](C)(C[NH3+])CC1)OC ZINC001206295644 968202948 /nfs/dbraw/zinc/20/29/48/968202948.db2.gz MPSZYLKHGGIORA-LBPRGKRZSA-N 2 1 230.352 1.056 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001251819646 968342664 /nfs/dbraw/zinc/34/26/64/968342664.db2.gz XHJYJZCJRPMSTO-YNEHKIRRSA-N 2 1 228.380 1.466 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)C(=O)OC ZINC001276517947 968695344 /nfs/dbraw/zinc/69/53/44/968695344.db2.gz DFRPNPKHENMKHT-WAAKLRNESA-N 2 1 240.347 1.010 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH+]1CCSCC1 ZINC001207280590 968710856 /nfs/dbraw/zinc/71/08/56/968710856.db2.gz WSDFJCSRJXGFIN-UHFFFAOYSA-N 2 1 216.394 1.623 20 0 BDADMP C[C@@H]1CC[C@H](CO)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275708 968712805 /nfs/dbraw/zinc/71/28/05/968712805.db2.gz ODWLNVDPSUVLCA-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001207393931 968750929 /nfs/dbraw/zinc/75/09/29/968750929.db2.gz FUGJLWGNYLFPGD-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001208108332 969003532 /nfs/dbraw/zinc/00/35/32/969003532.db2.gz SQWJRECOFDKQHP-NEPJUHHUSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+](C2CC2)C2COC2)CC1 ZINC001208114404 969005003 /nfs/dbraw/zinc/00/50/03/969005003.db2.gz VCOPIDBIJXIBPS-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001253187801 969108142 /nfs/dbraw/zinc/10/81/42/969108142.db2.gz JFHMDJFVOLZXDG-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208608714 969147175 /nfs/dbraw/zinc/14/71/75/969147175.db2.gz WERRMEZCSVXPNI-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208608714 969147180 /nfs/dbraw/zinc/14/71/80/969147180.db2.gz WERRMEZCSVXPNI-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208608714 969147185 /nfs/dbraw/zinc/14/71/85/969147185.db2.gz WERRMEZCSVXPNI-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208608714 969147188 /nfs/dbraw/zinc/14/71/88/969147188.db2.gz WERRMEZCSVXPNI-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001208612781 969170340 /nfs/dbraw/zinc/17/03/40/969170340.db2.gz NQYABAFWSARPGF-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001208612781 969170346 /nfs/dbraw/zinc/17/03/46/969170346.db2.gz NQYABAFWSARPGF-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001208612781 969170353 /nfs/dbraw/zinc/17/03/53/969170353.db2.gz NQYABAFWSARPGF-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001208612781 969170357 /nfs/dbraw/zinc/17/03/57/969170357.db2.gz NQYABAFWSARPGF-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079708 969397323 /nfs/dbraw/zinc/39/73/23/969397323.db2.gz KPPHOGSYMMAOMD-YIYPIFLZSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1CO)C2 ZINC001169125376 969424372 /nfs/dbraw/zinc/42/43/72/969424372.db2.gz HJWCUPWCAMKZEW-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1CO)C2 ZINC001169125376 969424376 /nfs/dbraw/zinc/42/43/76/969424376.db2.gz HJWCUPWCAMKZEW-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1CO)C2 ZINC001169125376 969424381 /nfs/dbraw/zinc/42/43/81/969424381.db2.gz HJWCUPWCAMKZEW-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1CO)C2 ZINC001169125376 969424385 /nfs/dbraw/zinc/42/43/85/969424385.db2.gz HJWCUPWCAMKZEW-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1CO)C2 ZINC001169125373 969429021 /nfs/dbraw/zinc/42/90/21/969429021.db2.gz HJWCUPWCAMKZEW-QNWHQSFQSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1CO)C2 ZINC001169125373 969429027 /nfs/dbraw/zinc/42/90/27/969429027.db2.gz HJWCUPWCAMKZEW-QNWHQSFQSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1CO)C2 ZINC001169125373 969429038 /nfs/dbraw/zinc/42/90/38/969429038.db2.gz HJWCUPWCAMKZEW-QNWHQSFQSA-N 2 1 224.348 1.068 20 0 BDADMP CC[NH+]1CCC(N[C@@]2(C)CCC[N@@H+](C)C2)CC1 ZINC001169241198 969530535 /nfs/dbraw/zinc/53/05/35/969530535.db2.gz JOVKGQWRQMCPLT-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CNC(C)(C)O2)CC1 ZINC001209845806 969655167 /nfs/dbraw/zinc/65/51/67/969655167.db2.gz MYJWIKJUMDNKGN-RYUDHWBXSA-N 2 1 226.364 1.833 20 0 BDADMP C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001209845806 969655175 /nfs/dbraw/zinc/65/51/75/969655175.db2.gz MYJWIKJUMDNKGN-RYUDHWBXSA-N 2 1 226.364 1.833 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001209845806 969655182 /nfs/dbraw/zinc/65/51/82/969655182.db2.gz MYJWIKJUMDNKGN-RYUDHWBXSA-N 2 1 226.364 1.833 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCCC(C)(C)O)CC1 ZINC001254507570 969678254 /nfs/dbraw/zinc/67/82/54/969678254.db2.gz MZUPEFYJADUANQ-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP CCN(CC[NH+](C)C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515944 969686349 /nfs/dbraw/zinc/68/63/49/969686349.db2.gz HBLXKQIZKJNZMS-CYBMUJFWSA-N 2 1 227.396 1.354 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254521207 969702477 /nfs/dbraw/zinc/70/24/77/969702477.db2.gz SRXBZFDWFVMERN-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254521207 969702492 /nfs/dbraw/zinc/70/24/92/969702492.db2.gz SRXBZFDWFVMERN-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254521207 969702506 /nfs/dbraw/zinc/70/25/06/969702506.db2.gz SRXBZFDWFVMERN-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP CN(C)C[C@@H]1CCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254523952 969709121 /nfs/dbraw/zinc/70/91/21/969709121.db2.gz SLSBYFMDAVICSL-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CN(C)C[C@@H]1CCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254523952 969709127 /nfs/dbraw/zinc/70/91/27/969709127.db2.gz SLSBYFMDAVICSL-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CN(C)C[C@@H]1CCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254523952 969709131 /nfs/dbraw/zinc/70/91/31/969709131.db2.gz SLSBYFMDAVICSL-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CN(C)C[C@@H]1CCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254523952 969709136 /nfs/dbraw/zinc/70/91/36/969709136.db2.gz SLSBYFMDAVICSL-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CN([C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522584 969713603 /nfs/dbraw/zinc/71/36/03/969713603.db2.gz HLAMNBCSPUGKEG-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522584 969713617 /nfs/dbraw/zinc/71/36/17/969713617.db2.gz HLAMNBCSPUGKEG-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522584 969713631 /nfs/dbraw/zinc/71/36/31/969713631.db2.gz HLAMNBCSPUGKEG-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@@H+](CCC1OCCO1)[C@@H]1CCC[NH+](C)CC1 ZINC001254527409 969714908 /nfs/dbraw/zinc/71/49/08/969714908.db2.gz XULXHLITYZEGOZ-GFCCVEGCSA-N 2 1 242.363 1.166 20 0 BDADMP C[NH+](CCC1OCCO1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254527409 969714916 /nfs/dbraw/zinc/71/49/16/969714916.db2.gz XULXHLITYZEGOZ-GFCCVEGCSA-N 2 1 242.363 1.166 20 0 BDADMP C[NH+](CCC1OCCO1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254527409 969714921 /nfs/dbraw/zinc/71/49/21/969714921.db2.gz XULXHLITYZEGOZ-GFCCVEGCSA-N 2 1 242.363 1.166 20 0 BDADMP CNc1ccc(NCC[C@H]2CCC[NH2+]2)c[nH+]1 ZINC001169563865 969759742 /nfs/dbraw/zinc/75/97/42/969759742.db2.gz DWKJYYJJPYVWPS-SNVBAGLBSA-N 2 1 220.320 1.677 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254829311 969792271 /nfs/dbraw/zinc/79/22/71/969792271.db2.gz CINOBAIGOYTWFB-CYBMUJFWSA-N 2 1 225.380 1.012 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+]([C@H]1CCSC1)CC2 ZINC001255291423 970055165 /nfs/dbraw/zinc/05/51/65/970055165.db2.gz WIIUVEGRWRELCV-JTQLQIEISA-N 2 1 223.345 1.247 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+]([C@H]1CCSC1)CC2 ZINC001255291423 970055172 /nfs/dbraw/zinc/05/51/72/970055172.db2.gz WIIUVEGRWRELCV-JTQLQIEISA-N 2 1 223.345 1.247 20 0 BDADMP C[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(Cl)nc2)C1 ZINC001255413132 970135114 /nfs/dbraw/zinc/13/51/14/970135114.db2.gz XEVNOSJNJJCVRC-VIFPVBQESA-N 2 1 238.722 1.354 20 0 BDADMP C[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(Cl)nc2)C1 ZINC001255413132 970135120 /nfs/dbraw/zinc/13/51/20/970135120.db2.gz XEVNOSJNJJCVRC-VIFPVBQESA-N 2 1 238.722 1.354 20 0 BDADMP C[N@H+]1CC[C@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001255441348 970169333 /nfs/dbraw/zinc/16/93/33/970169333.db2.gz NPGHGLVEVZEKKD-NSHDSACASA-N 2 1 205.305 1.010 20 0 BDADMP C[N@H+]1CCC[C@H](n2cccc2CC[NH3+])C1 ZINC001255473724 970207463 /nfs/dbraw/zinc/20/74/63/970207463.db2.gz XEOIQQQXABFNQL-LBPRGKRZSA-N 2 1 207.321 1.256 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ccnc2CCC[NH3+])C1 ZINC001255480263 970217211 /nfs/dbraw/zinc/21/72/11/970217211.db2.gz UECNNFGHZZOKTI-LLVKDONJSA-N 2 1 222.336 1.041 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001255939126 970571176 /nfs/dbraw/zinc/57/11/76/970571176.db2.gz ALCZLKYYTFLZCM-HZSPNIEDSA-N 3 1 241.423 1.966 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1OCCO1 ZINC001255945657 970579463 /nfs/dbraw/zinc/57/94/63/970579463.db2.gz HRDLXQNWWFUQQY-LLVKDONJSA-N 2 1 230.352 1.069 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@](C)(O)C1 ZINC001255955556 970590328 /nfs/dbraw/zinc/59/03/28/970590328.db2.gz BSBVIUAGJMYAGG-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400468704 970592678 /nfs/dbraw/zinc/59/26/78/970592678.db2.gz XAIICRCUICEIGE-MBNYWOFBSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400468704 970592692 /nfs/dbraw/zinc/59/26/92/970592692.db2.gz XAIICRCUICEIGE-MBNYWOFBSA-N 3 1 239.407 1.447 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H](O)CC[C@H]1C ZINC001255956008 970596570 /nfs/dbraw/zinc/59/65/70/970596570.db2.gz FOZBWKRBFPCVJB-MGPQQGTHSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)[C@@H]1CCOC1 ZINC001255964418 970599983 /nfs/dbraw/zinc/59/99/83/970599983.db2.gz SAZXTUJMYBUWLG-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC001255962902 970602786 /nfs/dbraw/zinc/60/27/86/970602786.db2.gz BWAYYGFXNKKVIK-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[N@@H+](CCOC)C1CCN(C2CC2)CC1 ZINC001256072914 970634964 /nfs/dbraw/zinc/63/49/64/970634964.db2.gz IHUPITHEWCHVOZ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[N@H+](CCOC)C1CC[NH+](C2CC2)CC1 ZINC001256072914 970634974 /nfs/dbraw/zinc/63/49/74/970634974.db2.gz IHUPITHEWCHVOZ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[N@@H+](CCOC)C1CC[NH+](C2CC2)CC1 ZINC001256072914 970634982 /nfs/dbraw/zinc/63/49/82/970634982.db2.gz IHUPITHEWCHVOZ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001256203422 970684949 /nfs/dbraw/zinc/68/49/49/970684949.db2.gz WSQZAKMXBRBDSF-ZDUSSCGKSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001256203422 970684961 /nfs/dbraw/zinc/68/49/61/970684961.db2.gz WSQZAKMXBRBDSF-ZDUSSCGKSA-N 2 1 224.348 1.336 20 0 BDADMP CCC[N@H+](CCC[NH+](C)C)C1CCN(C)CC1 ZINC001256209215 970712949 /nfs/dbraw/zinc/71/29/49/970712949.db2.gz PFSMNALCQQWENH-UHFFFAOYSA-N 2 1 241.423 1.744 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C1CCN(C)CC1 ZINC001256209215 970712959 /nfs/dbraw/zinc/71/29/59/970712959.db2.gz PFSMNALCQQWENH-UHFFFAOYSA-N 2 1 241.423 1.744 20 0 BDADMP CCCOC1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001173090962 975015901 /nfs/dbraw/zinc/01/59/01/975015901.db2.gz LUDUUYSCNHFBHY-PNESKVBLSA-N 2 1 226.364 1.757 20 0 BDADMP CCCOC1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001173090962 975015910 /nfs/dbraw/zinc/01/59/10/975015910.db2.gz LUDUUYSCNHFBHY-PNESKVBLSA-N 2 1 226.364 1.757 20 0 BDADMP COCOCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292662 978288101 /nfs/dbraw/zinc/28/81/01/978288101.db2.gz DGZCYLYQNNHFNV-ZDUSSCGKSA-N 2 1 244.379 1.448 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cocn2)CC1 ZINC001206311553 978479150 /nfs/dbraw/zinc/47/91/50/978479150.db2.gz QNYAZLRUUMHXCJ-GFCCVEGCSA-N 2 1 223.320 1.626 20 0 BDADMP CC(C)CC[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001338250932 978643497 /nfs/dbraw/zinc/64/34/97/978643497.db2.gz XJBZIASRGWYMEZ-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP [NH3+]CCCC[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235222859 978998697 /nfs/dbraw/zinc/99/86/97/978998697.db2.gz PUKZSSAPVAUCGE-ZJUUUORDSA-N 2 1 218.291 1.702 20 0 BDADMP C[NH+](C)CCN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233408 979003567 /nfs/dbraw/zinc/00/35/67/979003567.db2.gz PPIQJVJEJVHMEX-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235440322 979045486 /nfs/dbraw/zinc/04/54/86/979045486.db2.gz GGIHWRJLAWNBPY-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1CC[C@@H]1CCC[NH2+]C1 ZINC001235440322 979045495 /nfs/dbraw/zinc/04/54/95/979045495.db2.gz GGIHWRJLAWNBPY-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235713840 979128770 /nfs/dbraw/zinc/12/87/70/979128770.db2.gz HQJXQLOGTZUJMF-LBPRGKRZSA-N 3 1 213.369 1.045 20 0 BDADMP CC[C@H]([NH3+])CN(C)CCC1CC[NH2+]CC1 ZINC001235713840 979128776 /nfs/dbraw/zinc/12/87/76/979128776.db2.gz HQJXQLOGTZUJMF-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@H](N)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235713840 979128781 /nfs/dbraw/zinc/12/87/81/979128781.db2.gz HQJXQLOGTZUJMF-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@H](N)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235713840 979128786 /nfs/dbraw/zinc/12/87/86/979128786.db2.gz HQJXQLOGTZUJMF-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CNC(C)(C)O1 ZINC001236108003 979394394 /nfs/dbraw/zinc/39/43/94/979394394.db2.gz GLUVZDMSOYWXAH-NWDGAFQWSA-N 2 1 226.364 1.831 20 0 BDADMP CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236108003 979394404 /nfs/dbraw/zinc/39/44/04/979394404.db2.gz GLUVZDMSOYWXAH-NWDGAFQWSA-N 2 1 226.364 1.831 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236108003 979394411 /nfs/dbraw/zinc/39/44/11/979394411.db2.gz GLUVZDMSOYWXAH-NWDGAFQWSA-N 2 1 226.364 1.831 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1c[nH]nc1C ZINC001345483056 980617583 /nfs/dbraw/zinc/61/75/83/980617583.db2.gz QDAMQARDSBMACT-DTWKUNHWSA-N 2 1 210.325 1.367 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001205537955 980911468 /nfs/dbraw/zinc/91/14/68/980911468.db2.gz KVVPMNULFVFESD-CYBMUJFWSA-N 3 1 243.370 1.139 20 0 BDADMP CC(C)C[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)C(C)C ZINC001353526489 982882820 /nfs/dbraw/zinc/88/28/20/982882820.db2.gz MQBXPGHICYMRAR-GFCCVEGCSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252799777 983895339 /nfs/dbraw/zinc/89/53/39/983895339.db2.gz ZFTHNAAVHMWNDL-YVECIDJPSA-N 2 1 226.364 1.362 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@H]1CN ZINC001172450673 974813956 /nfs/dbraw/zinc/81/39/56/974813956.db2.gz ZVTXCIDBDVPRGI-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172450673 974813962 /nfs/dbraw/zinc/81/39/62/974813962.db2.gz ZVTXCIDBDVPRGI-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246550498 972709842 /nfs/dbraw/zinc/70/98/42/972709842.db2.gz PRKNNNJVVRPHBB-RMPHRYRLSA-N 2 1 208.349 1.843 20 0 BDADMP C[C@H]1C[C@@H](CF)[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246580866 972932438 /nfs/dbraw/zinc/93/24/38/972932438.db2.gz NYLGPPXPBUDYKP-YFKTTZPYSA-N 2 1 214.328 1.807 20 0 BDADMP C[N@@H+](CCc1ccc(F)cc1F)C1CC([NH3+])C1 ZINC001328412265 973037188 /nfs/dbraw/zinc/03/71/88/973037188.db2.gz HYIMNGQJHTWLTM-UHFFFAOYSA-N 2 1 240.297 1.929 20 0 BDADMP C[C@H](Cc1ccccn1)[N@H+](C)CCC[NH+](C)C ZINC001256408837 970816260 /nfs/dbraw/zinc/81/62/60/970816260.db2.gz FHXCIMLLBYZMCM-CYBMUJFWSA-N 2 1 235.375 1.896 20 0 BDADMP C[C@H](Cc1ccccn1)[N@@H+](C)CCC[NH+](C)C ZINC001256408837 970816261 /nfs/dbraw/zinc/81/62/61/970816261.db2.gz FHXCIMLLBYZMCM-CYBMUJFWSA-N 2 1 235.375 1.896 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001256622340 970886303 /nfs/dbraw/zinc/88/63/03/970886303.db2.gz HMHNDUAAMNJCKF-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001256622340 970886310 /nfs/dbraw/zinc/88/63/10/970886310.db2.gz HMHNDUAAMNJCKF-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001256622340 970886317 /nfs/dbraw/zinc/88/63/17/970886317.db2.gz HMHNDUAAMNJCKF-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623902 970891569 /nfs/dbraw/zinc/89/15/69/970891569.db2.gz SVOXVWLFCBSXJE-RBKKPWLPSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256623902 970891570 /nfs/dbraw/zinc/89/15/70/970891570.db2.gz SVOXVWLFCBSXJE-RBKKPWLPSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256623902 970891573 /nfs/dbraw/zinc/89/15/73/970891573.db2.gz SVOXVWLFCBSXJE-RBKKPWLPSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001256722829 970944380 /nfs/dbraw/zinc/94/43/80/970944380.db2.gz LQFOOIRKJMGRQL-YPMHNXCESA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001256722829 970944388 /nfs/dbraw/zinc/94/43/88/970944388.db2.gz LQFOOIRKJMGRQL-YPMHNXCESA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H](CO)C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898955 971012076 /nfs/dbraw/zinc/01/20/76/971012076.db2.gz BDSJBRVLIFKIPZ-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](CO)C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898955 971012087 /nfs/dbraw/zinc/01/20/87/971012087.db2.gz BDSJBRVLIFKIPZ-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[NH+]1CCC(N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001257223613 971134798 /nfs/dbraw/zinc/13/47/98/971134798.db2.gz SOHQTPFRGXZTIW-AWEZNQCLSA-N 2 1 237.391 1.249 20 0 BDADMP CCC[C@@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001257251810 971146990 /nfs/dbraw/zinc/14/69/90/971146990.db2.gz BNCIOCIKWSAREA-GFCCVEGCSA-N 2 1 216.369 1.469 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCCCCCO)[C@@H]1CC[NH3+] ZINC000404401994 971158203 /nfs/dbraw/zinc/15/82/03/971158203.db2.gz RUSFISKNBYWYQF-ZIAGYGMSSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCCCCO)[C@@H]1CC[NH3+] ZINC000404401993 971158962 /nfs/dbraw/zinc/15/89/62/971158962.db2.gz RUSFISKNBYWYQF-UONOGXRCSA-N 2 1 242.407 1.988 20 0 BDADMP CCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001257307389 971195451 /nfs/dbraw/zinc/19/54/51/971195451.db2.gz KSGHYNVVBKWHNJ-QWRGUYRKSA-N 2 1 230.352 1.435 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405238305 971214060 /nfs/dbraw/zinc/21/40/60/971214060.db2.gz UYTRTPBQJXOMAB-STQMWFEESA-N 2 1 237.391 1.330 20 0 BDADMP Cc1ncsc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405223352 971212996 /nfs/dbraw/zinc/21/29/96/971212996.db2.gz BUWJOFBXMMRBSU-WDEREUQCSA-N 2 1 237.372 1.811 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405238304 971215664 /nfs/dbraw/zinc/21/56/64/971215664.db2.gz UYTRTPBQJXOMAB-QWHCGFSZSA-N 2 1 237.391 1.330 20 0 BDADMP CCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257321093 971223853 /nfs/dbraw/zinc/22/38/53/971223853.db2.gz JSJONMIXJCRGNT-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001257321093 971223862 /nfs/dbraw/zinc/22/38/62/971223862.db2.gz JSJONMIXJCRGNT-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001257321093 971223866 /nfs/dbraw/zinc/22/38/66/971223866.db2.gz JSJONMIXJCRGNT-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001257321093 971223873 /nfs/dbraw/zinc/22/38/73/971223873.db2.gz JSJONMIXJCRGNT-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP Cn1ccc2c1cc[nH+]c2N1CC[N@H+]2CC[C@@H]2C1 ZINC001158424959 971232040 /nfs/dbraw/zinc/23/20/40/971232040.db2.gz ZSUKACKWISBOMD-LLVKDONJSA-N 2 1 242.326 1.468 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405372264 971244520 /nfs/dbraw/zinc/24/45/20/971244520.db2.gz ZKDXYHSDCMIUEK-XQQFMLRXSA-N 2 1 239.407 1.576 20 0 BDADMP CCCC[C@@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001257416758 971312013 /nfs/dbraw/zinc/31/20/13/971312013.db2.gz QCTISXYTHIHNEA-CYBMUJFWSA-N 2 1 230.396 1.859 20 0 BDADMP C[C@@H]1C[C@@H]1c1nnc([C@H]([NH3+])CCCC[NH3+])o1 ZINC001217699114 971333820 /nfs/dbraw/zinc/33/38/20/971333820.db2.gz LGMXSDIHHROQKK-HRDYMLBCSA-N 2 1 224.308 1.322 20 0 BDADMP CCCc1nnc([C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217699052 971334775 /nfs/dbraw/zinc/33/47/75/971334775.db2.gz JMTKJWAWXIPMCM-QMMMGPOBSA-N 2 1 212.297 1.151 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001257502837 971422593 /nfs/dbraw/zinc/42/25/93/971422593.db2.gz WEKMUFYNUNVAHN-MNOVXSKESA-N 2 1 230.352 1.293 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001257502836 971423503 /nfs/dbraw/zinc/42/35/03/971423503.db2.gz WEKMUFYNUNVAHN-GHMZBOCLSA-N 2 1 230.352 1.293 20 0 BDADMP C[C@H]1C[C@H](NC=[NH2+])C[N@H+]1Cc1ccccc1 ZINC001171725999 974142106 /nfs/dbraw/zinc/14/21/06/974142106.db2.gz REHHBMWYLDEBIP-AAEUAGOBSA-N 2 1 217.316 1.846 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC001258011015 971551177 /nfs/dbraw/zinc/55/11/77/971551177.db2.gz GUCCHKUUESTQDV-OCCSQVGLSA-N 2 1 240.391 1.562 20 0 BDADMP COCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099094 974337143 /nfs/dbraw/zinc/33/71/43/974337143.db2.gz FFXMQZAUIAIFLW-ZSBIGDGJSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC000310569058 971976133 /nfs/dbraw/zinc/97/61/33/971976133.db2.gz YRLWBHHUIMPCFG-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC001135979610 972014797 /nfs/dbraw/zinc/01/47/97/972014797.db2.gz HRGVDTKRNSJWLI-NEPJUHHUSA-N 2 1 243.395 1.221 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001135979613 972015379 /nfs/dbraw/zinc/01/53/79/972015379.db2.gz HRGVDTKRNSJWLI-VXGBXAGGSA-N 2 1 243.395 1.221 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC001245999970 972113405 /nfs/dbraw/zinc/11/34/05/972113405.db2.gz KJEZLLSWLHZILS-YPMHNXCESA-N 2 1 238.331 1.056 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001246018683 972114472 /nfs/dbraw/zinc/11/44/72/972114472.db2.gz FMZKVJQIQTVNPP-FRRDWIJNSA-N 2 1 242.407 1.700 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246019128 972119239 /nfs/dbraw/zinc/11/92/39/972119239.db2.gz CTUUMVTZRJTPFJ-OCCSQVGLSA-N 2 1 242.407 1.844 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246019519 972120946 /nfs/dbraw/zinc/12/09/46/972120946.db2.gz IPNVNMHRLXJTBK-QJPTWQEYSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)C(C)(C)C)CCC[C@@H]1C[NH3+] ZINC001246031400 972121919 /nfs/dbraw/zinc/12/19/19/972121919.db2.gz PREKOQDQHTZHEJ-UPJWGTAASA-N 2 1 242.407 1.700 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034094 972123369 /nfs/dbraw/zinc/12/33/69/972123369.db2.gz WQIRUVIQEIAJFR-UONOGXRCSA-N 2 1 240.391 1.756 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034094 972123370 /nfs/dbraw/zinc/12/33/70/972123370.db2.gz WQIRUVIQEIAJFR-UONOGXRCSA-N 2 1 240.391 1.756 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[NH2+]1 ZINC001246091050 972146135 /nfs/dbraw/zinc/14/61/35/972146135.db2.gz BAKGZVABTHMDRK-WRWGMCAJSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCCCNC1 ZINC001246095441 972150248 /nfs/dbraw/zinc/15/02/48/972150248.db2.gz IQDCYFTTZIHGPY-MGPQQGTHSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246106165 972170103 /nfs/dbraw/zinc/17/01/03/972170103.db2.gz DLHWLGKFPIGSEG-LSGALXMHSA-N 3 1 235.375 1.023 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCN(C)CC1 ZINC001246106119 972168250 /nfs/dbraw/zinc/16/82/50/972168250.db2.gz CTOAIVRYTHBFHB-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP COCCCC[N@@H+](C)CCC[NH+](C)C ZINC000412971402 972172724 /nfs/dbraw/zinc/17/27/24/972172724.db2.gz NOZPFMOJNCYOKM-UHFFFAOYSA-N 2 1 202.342 1.297 20 0 BDADMP C[NH2+]CC[C@H](C)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001246109328 972175255 /nfs/dbraw/zinc/17/52/55/972175255.db2.gz NWGJXTQFTOIPJJ-LBPRGKRZSA-N 2 1 247.386 1.420 20 0 BDADMP C1CC12C[NH2+]C[C@H]2N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246131373 972189415 /nfs/dbraw/zinc/18/94/15/972189415.db2.gz JNRLLFPVMWIBPQ-MJBXVCDLSA-N 2 1 249.402 1.250 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2cccc(O)c2)C[NH2+]1 ZINC001246157348 972198782 /nfs/dbraw/zinc/19/87/82/972198782.db2.gz GNFQCHSSGKJJDP-WCQYABFASA-N 2 1 234.343 1.665 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2cccc(O)c2)C[NH2+]1 ZINC001246157346 972199382 /nfs/dbraw/zinc/19/93/82/972199382.db2.gz GNFQCHSSGKJJDP-AAEUAGOBSA-N 2 1 234.343 1.665 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCCC1 ZINC000692946853 956983220 /nfs/dbraw/zinc/98/32/20/956983220.db2.gz XEHBGXJFJDMMGH-FPMFFAJLSA-N 2 1 240.391 1.922 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001208603596 957089245 /nfs/dbraw/zinc/08/92/45/957089245.db2.gz FJBYRXDDMRKIBV-ZIAGYGMSSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396704668 957186385 /nfs/dbraw/zinc/18/63/85/957186385.db2.gz OCXZKLILEUXFTG-WRWGMCAJSA-N 2 1 212.337 1.284 20 0 BDADMP COc1cncc(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246250291 972248799 /nfs/dbraw/zinc/24/87/99/972248799.db2.gz UKVRITBKWRJYKQ-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP COc1cncc(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246250284 972249918 /nfs/dbraw/zinc/24/99/18/972249918.db2.gz UKVRITBKWRJYKQ-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246303578 972264551 /nfs/dbraw/zinc/26/45/51/972264551.db2.gz ITICMZZVUBFDIE-SRVKXCTJSA-N 3 1 227.396 1.480 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@@H](C)CC[C@H]1CN ZINC000705781090 957483586 /nfs/dbraw/zinc/48/35/86/957483586.db2.gz OTZUCEFKSPQODX-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP CCOC(C)(C)C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC000705781090 957483592 /nfs/dbraw/zinc/48/35/92/957483592.db2.gz OTZUCEFKSPQODX-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP c1cc2c(c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c1)OCC2 ZINC000693110064 957675591 /nfs/dbraw/zinc/67/55/91/957675591.db2.gz ASUFTRPGQNMGEL-ZIAGYGMSSA-N 2 1 244.338 1.273 20 0 BDADMP CC(C)NCC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246452058 972319976 /nfs/dbraw/zinc/31/99/76/972319976.db2.gz ITURQEYFINZUQN-UHFFFAOYSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N)n2)C[N@@H+]1C1CC1 ZINC001348031611 958257905 /nfs/dbraw/zinc/25/79/05/958257905.db2.gz OREMUBRBTDZVLF-IUCAKERBSA-N 2 1 233.319 1.096 20 0 BDADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N)n2)C[N@H+]1C1CC1 ZINC001348031611 958257916 /nfs/dbraw/zinc/25/79/16/958257916.db2.gz OREMUBRBTDZVLF-IUCAKERBSA-N 2 1 233.319 1.096 20 0 BDADMP CCSC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC000706965238 958312630 /nfs/dbraw/zinc/31/26/30/958312630.db2.gz WAUPCRCCAXJSSK-ZJUUUORDSA-N 2 1 204.383 1.655 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C[NH2+]1 ZINC000399005652 958481267 /nfs/dbraw/zinc/48/12/67/958481267.db2.gz XVGCFUMGXGSNCV-WCBMZHEXSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@@H]1CC[C@H](NC[C@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000399008862 958484387 /nfs/dbraw/zinc/48/43/87/958484387.db2.gz BJEIVOYMMXXVRX-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399033059 958490203 /nfs/dbraw/zinc/49/02/03/958490203.db2.gz MWOJHBNFDJKCPG-GRYCIOLGSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399222979 958568437 /nfs/dbraw/zinc/56/84/37/958568437.db2.gz LDXPCXBBXPGRGY-WYUUTHIRSA-N 2 1 212.337 1.142 20 0 BDADMP CCOCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172408123 974668302 /nfs/dbraw/zinc/66/83/02/974668302.db2.gz FEUXQAZDVXEZCW-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000724151256 958740117 /nfs/dbraw/zinc/74/01/17/958740117.db2.gz FMWDBTXGVBMVJR-NEPJUHHUSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)CO1 ZINC000403727609 958835051 /nfs/dbraw/zinc/83/50/51/958835051.db2.gz GPPRAVRGMYEWKW-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)CO1 ZINC000403727609 958835060 /nfs/dbraw/zinc/83/50/60/958835060.db2.gz GPPRAVRGMYEWKW-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP C[NH+](C)CC(C)(C)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001207282804 958874481 /nfs/dbraw/zinc/87/44/81/958874481.db2.gz PLXOFMUNBRSSDQ-QWHCGFSZSA-N 2 1 239.407 1.210 20 0 BDADMP C[C@H]1CCSCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693592760 958899922 /nfs/dbraw/zinc/89/99/22/958899922.db2.gz QOHKNUUNDITAGT-GARJFASQSA-N 2 1 214.378 1.551 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)[C@H]1CC[NH3+] ZINC000404412732 959253055 /nfs/dbraw/zinc/25/30/55/959253055.db2.gz DTONKUZPQQVSSN-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP [O-]c1cccnc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222243748 972420004 /nfs/dbraw/zinc/42/00/04/972420004.db2.gz NWJKVVQASNOXDG-CQSZACIVSA-N 2 1 247.342 1.505 20 0 BDADMP Cc1[nH]c(CN(C)C2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000724782517 959489379 /nfs/dbraw/zinc/48/93/79/959489379.db2.gz DOLNMNXYFSXNOV-UHFFFAOYSA-N 2 1 236.363 1.553 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530834 972434699 /nfs/dbraw/zinc/43/46/99/972434699.db2.gz OHZZDCHYDNHMRR-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530834 972434706 /nfs/dbraw/zinc/43/47/06/972434706.db2.gz OHZZDCHYDNHMRR-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccnn1C ZINC000693909415 959532216 /nfs/dbraw/zinc/53/22/16/959532216.db2.gz GOUILVGXKUQLQM-RYUDHWBXSA-N 2 1 236.363 1.555 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccnn1C ZINC000693909415 959532221 /nfs/dbraw/zinc/53/22/21/959532221.db2.gz GOUILVGXKUQLQM-RYUDHWBXSA-N 2 1 236.363 1.555 20 0 BDADMP [NH3+]CCC[C@H]([NH3+])c1nnc(C2CCCC2)o1 ZINC001217696978 959556909 /nfs/dbraw/zinc/55/69/09/959556909.db2.gz UFGOAYBOFYMTII-VIFPVBQESA-N 2 1 224.308 1.466 20 0 BDADMP FC1(F)C[NH2+]CC[C@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217780666 959591836 /nfs/dbraw/zinc/59/18/36/959591836.db2.gz DVNOLCSVSONULB-GHMZBOCLSA-N 2 1 248.317 1.390 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1CC1CC[NH+](C)CC1 ZINC001207391271 959625634 /nfs/dbraw/zinc/62/56/34/959625634.db2.gz AHQTYCAIVBTWQX-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CCOCC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC001172409746 974671521 /nfs/dbraw/zinc/67/15/21/974671521.db2.gz YPJOUVOQVINCAY-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533152 972459521 /nfs/dbraw/zinc/45/95/21/972459521.db2.gz CARKSWYVQJLNEN-STQMWFEESA-N 3 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533152 972459531 /nfs/dbraw/zinc/45/95/31/972459531.db2.gz CARKSWYVQJLNEN-STQMWFEESA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533152 972459538 /nfs/dbraw/zinc/45/95/38/972459538.db2.gz CARKSWYVQJLNEN-STQMWFEESA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533137 972460512 /nfs/dbraw/zinc/46/05/12/972460512.db2.gz CARKSWYVQJLNEN-CHWSQXEVSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@@]1(N)CC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533137 972460521 /nfs/dbraw/zinc/46/05/21/972460521.db2.gz CARKSWYVQJLNEN-CHWSQXEVSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@]1(N)CC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246533137 972460525 /nfs/dbraw/zinc/46/05/25/972460525.db2.gz CARKSWYVQJLNEN-CHWSQXEVSA-N 2 1 237.391 1.332 20 0 BDADMP CC(C)[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309377644 959897592 /nfs/dbraw/zinc/89/75/92/959897592.db2.gz GBAAKEUKADEIHS-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309377644 959897600 /nfs/dbraw/zinc/89/76/00/959897600.db2.gz GBAAKEUKADEIHS-QWHCGFSZSA-N 2 1 228.380 1.419 20 0 BDADMP CCc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC000708842262 959914283 /nfs/dbraw/zinc/91/42/83/959914283.db2.gz DEQLQWMRWHKBKA-WCQYABFASA-N 2 1 233.359 1.671 20 0 BDADMP c1cn2cc(O[C@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC001218287313 959954559 /nfs/dbraw/zinc/95/45/59/959954559.db2.gz YBKKFVJDPNNHLI-JTQLQIEISA-N 2 1 217.272 1.465 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@]1(C)CO ZINC000694672253 959958025 /nfs/dbraw/zinc/95/80/25/959958025.db2.gz JJOADEWAMZUFSJ-JSGCOSHPSA-N 2 1 240.391 1.279 20 0 BDADMP c1cnc2c(c1)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207436804 960089185 /nfs/dbraw/zinc/08/91/85/960089185.db2.gz PYNITGDHXLHHOK-UHFFFAOYSA-N 2 1 217.316 1.397 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](C[C@@H]1CCCOC1)CC2 ZINC001207471297 960303778 /nfs/dbraw/zinc/30/37/78/960303778.db2.gz DYZJBORFXBRYJV-LBPRGKRZSA-N 2 1 235.331 1.168 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](C[C@@H]1CCCOC1)CC2 ZINC001207471297 960303783 /nfs/dbraw/zinc/30/37/83/960303783.db2.gz DYZJBORFXBRYJV-LBPRGKRZSA-N 2 1 235.331 1.168 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC001207488691 960497955 /nfs/dbraw/zinc/49/79/55/960497955.db2.gz OSJMBSPGCKIBGN-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP c1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)co1 ZINC000692744501 960589586 /nfs/dbraw/zinc/58/95/86/960589586.db2.gz JPHWNJGHRQJJAE-QSLWVIQJSA-N 2 1 232.327 1.408 20 0 BDADMP COC[C@@H]1CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806501 960607816 /nfs/dbraw/zinc/60/78/16/960607816.db2.gz KWOYPMMITUPMQP-NSHDSACASA-N 2 1 231.299 1.784 20 0 BDADMP COC[C@@H]1CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806501 960607821 /nfs/dbraw/zinc/60/78/21/960607821.db2.gz KWOYPMMITUPMQP-NSHDSACASA-N 2 1 231.299 1.784 20 0 BDADMP Cc1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709450658 960610416 /nfs/dbraw/zinc/61/04/16/960610416.db2.gz XFHRHVCXLJZYJS-PBWFPOADSA-N 2 1 231.343 1.763 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CO)CC2)CC[NH2+]1 ZINC000709467561 960612198 /nfs/dbraw/zinc/61/21/98/960612198.db2.gz UOZFVKAPBBTGBR-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]C[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925702543 960701100 /nfs/dbraw/zinc/70/11/00/960701100.db2.gz BMILKVYGDCSEKW-JHJVBQTASA-N 2 1 237.391 1.378 20 0 BDADMP C[N@@H+](Cc1ncco1)CC1CC[NH+](C)CC1 ZINC001141008852 960808699 /nfs/dbraw/zinc/80/86/99/960808699.db2.gz OBWKDUGTOHSQCD-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP C[N@H+](Cc1ncco1)CC1CC[NH+](C)CC1 ZINC001141008852 960808701 /nfs/dbraw/zinc/80/87/01/960808701.db2.gz OBWKDUGTOHSQCD-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC2CCSCC2)C[NH2+]1 ZINC000399163180 961088463 /nfs/dbraw/zinc/08/84/63/961088463.db2.gz FTISQZWPZCSQAU-PWSUYJOCSA-N 2 1 228.405 1.860 20 0 BDADMP c1cc2cccc(C[N@@H+]3CCC[NH2+]CC3)c2[nH]1 ZINC001204675445 961403799 /nfs/dbraw/zinc/40/37/99/961403799.db2.gz NJUROJHYJBILFK-UHFFFAOYSA-N 2 1 229.327 1.963 20 0 BDADMP c1cc2cccc(C[N@H+]3CCC[NH2+]CC3)c2[nH]1 ZINC001204675445 961403808 /nfs/dbraw/zinc/40/38/08/961403808.db2.gz NJUROJHYJBILFK-UHFFFAOYSA-N 2 1 229.327 1.963 20 0 BDADMP [NH3+]Cc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206640379 962271298 /nfs/dbraw/zinc/27/12/98/962271298.db2.gz JIMCIUQTDQTMNM-HNNXBMFYSA-N 3 1 247.386 1.706 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958061 962823722 /nfs/dbraw/zinc/82/37/22/962823722.db2.gz YBGMZLTWVMRVRJ-CRWXNKLISA-N 2 1 220.360 1.813 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958061 962823724 /nfs/dbraw/zinc/82/37/24/962823724.db2.gz YBGMZLTWVMRVRJ-CRWXNKLISA-N 2 1 220.360 1.813 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958061 962823731 /nfs/dbraw/zinc/82/37/31/962823731.db2.gz YBGMZLTWVMRVRJ-CRWXNKLISA-N 2 1 220.360 1.813 20 0 BDADMP CCc1nc(NC[C@H]2C[NH2+][C@H](C)C2)cc(C)[nH+]1 ZINC001155102380 962979512 /nfs/dbraw/zinc/97/95/12/962979512.db2.gz UGMINNIZJRNIFQ-MWLCHTKSSA-N 2 1 234.347 1.757 20 0 BDADMP Cc1cc[nH+]c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001155620374 963123098 /nfs/dbraw/zinc/12/30/98/963123098.db2.gz VDABGTZZEQRHFF-TZMCWYRMSA-N 2 1 247.342 1.713 20 0 BDADMP [NH3+][C@H]1CN(CC[C@H]2CCCC[NH2+]2)CCC1(F)F ZINC001206656471 963124412 /nfs/dbraw/zinc/12/44/12/963124412.db2.gz LNVSHDMWDYNAMP-MNOVXSKESA-N 2 1 247.333 1.187 20 0 BDADMP C[NH2+]CCNc1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001156897165 963486899 /nfs/dbraw/zinc/48/68/99/963486899.db2.gz FBIDYYCJHAJINS-UHFFFAOYSA-N 2 1 234.347 1.307 20 0 BDADMP Cc1c[nH+]c(N2CC[C@@H]([N@H+](C)C(C)C)C2)cc1N ZINC001157022152 963513330 /nfs/dbraw/zinc/51/33/30/963513330.db2.gz UXUVRXUSANPHKL-GFCCVEGCSA-N 2 1 248.374 1.891 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCO[C@H](C)C1 ZINC001168073347 963606911 /nfs/dbraw/zinc/60/69/11/963606911.db2.gz CNZYRTWYKWKQBL-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP Nc1nc(N2CCCC[C@]23CCC[NH2+]C3)cc[nH+]1 ZINC001157472980 963624179 /nfs/dbraw/zinc/62/41/79/963624179.db2.gz OIGLUBUMGWLFOO-CYBMUJFWSA-N 2 1 247.346 1.171 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000697039990 963668631 /nfs/dbraw/zinc/66/86/31/963668631.db2.gz HHNDGZFBDVNTNX-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]C[C@]1(F)CCN(c2cc(C3CC3)cc[nH+]2)C1 ZINC001157819745 963736766 /nfs/dbraw/zinc/73/67/66/963736766.db2.gz ZTJSJDPTRFVNLF-CYBMUJFWSA-N 2 1 235.306 1.836 20 0 BDADMP C[C@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001168107540 963739748 /nfs/dbraw/zinc/73/97/48/963739748.db2.gz WHPAFTKKTFRDOY-WDEREUQCSA-N 2 1 223.320 1.514 20 0 BDADMP CC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CC)C(C)C ZINC001482562020 963751539 /nfs/dbraw/zinc/75/15/39/963751539.db2.gz HCVXOLHWDPBDEN-LBPRGKRZSA-N 2 1 243.395 1.079 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001168128264 963803900 /nfs/dbraw/zinc/80/39/00/963803900.db2.gz PIKKKCQBUKWEOF-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[N@@H+]1CCN(c2cccc(N)[nH+]2)C[C@@H]1C ZINC001158494846 963881362 /nfs/dbraw/zinc/88/13/62/963881362.db2.gz RETABCGYZCAXID-NSHDSACASA-N 2 1 234.347 1.583 20 0 BDADMP CC(C)[N@H+]1CCN(c2cccc(N)[nH+]2)C[C@@H]1C ZINC001158494846 963881365 /nfs/dbraw/zinc/88/13/65/963881365.db2.gz RETABCGYZCAXID-NSHDSACASA-N 2 1 234.347 1.583 20 0 BDADMP COc1ccc(NC2(C)CC[NH2+]CC2)[nH+]c1C ZINC001168188474 963949019 /nfs/dbraw/zinc/94/90/19/963949019.db2.gz YBXRMIWQELZBSM-UHFFFAOYSA-N 2 1 235.331 1.953 20 0 BDADMP Cc1c[nH+]c(NCCN(C)CC[NH3+])cc1C ZINC001159443138 964093475 /nfs/dbraw/zinc/09/34/75/964093475.db2.gz KGQFJSBFOPQTMS-UHFFFAOYSA-N 2 1 222.336 1.001 20 0 BDADMP C[C@@H]([NH3+])CCNc1nc(NC2CC2)cc[nH+]1 ZINC001159774528 964190900 /nfs/dbraw/zinc/19/09/00/964190900.db2.gz BEXLJUGYKCOUOT-MRVPVSSYSA-N 2 1 221.308 1.200 20 0 BDADMP C[NH+](C)C1CCC([NH2+][C@H]2CC2(F)F)CC1 ZINC001168290772 964386839 /nfs/dbraw/zinc/38/68/39/964386839.db2.gz XBAPHAIVHSUBBD-RTBKNWGFSA-N 2 1 218.291 1.856 20 0 BDADMP C[NH+](C)C1CCC([NH2+]C(C)(C)C(C)(C)N)CC1 ZINC001168303771 964395164 /nfs/dbraw/zinc/39/51/64/964395164.db2.gz CGZLAMNYSJCRGB-UHFFFAOYSA-N 2 1 241.423 1.965 20 0 BDADMP CC(=O)OC1C[NH+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323674 964451436 /nfs/dbraw/zinc/45/14/36/964451436.db2.gz AEDYXNQXJXAEDG-UHFFFAOYSA-N 2 1 240.347 1.107 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NC/C=C/C[NH3+])c2c1C ZINC001160982642 964466153 /nfs/dbraw/zinc/46/61/53/964466153.db2.gz GVTUFLTXURABRD-ONEGZZNKSA-N 2 1 231.303 1.502 20 0 BDADMP [NH3+]CCCC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168355990 964512400 /nfs/dbraw/zinc/51/24/00/964512400.db2.gz HVQVIIATEMHKQC-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP Cc1ccc(NCC[NH+]2CCC([NH3+])CC2)nc1C ZINC001161867011 964799836 /nfs/dbraw/zinc/79/98/36/964799836.db2.gz BBBHDBWPEUPYJZ-UHFFFAOYSA-N 2 1 248.374 1.533 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CO[C@H]1C[NH+]2CCC1CC2 ZINC001224700892 964888104 /nfs/dbraw/zinc/88/81/04/964888104.db2.gz BVPHTCKMTDXHIU-KGLIPLIRSA-N 2 1 238.375 1.582 20 0 BDADMP Cc1cnc(N[C@]2(C)CCC[N@H+](C)C2)c(C[NH3+])c1 ZINC001162336515 964938400 /nfs/dbraw/zinc/93/84/00/964938400.db2.gz BVABRKUWCVCBHT-CQSZACIVSA-N 2 1 248.374 1.745 20 0 BDADMP Cn1ccc2c[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)nc21 ZINC001162390889 964953854 /nfs/dbraw/zinc/95/38/54/964953854.db2.gz JORPYKNUAGYVDH-MNOVXSKESA-N 2 1 245.330 1.650 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(N)[nH+]c1 ZINC001162458005 964985414 /nfs/dbraw/zinc/98/54/14/964985414.db2.gz SKOCMFPIDJTXLL-GHMZBOCLSA-N 2 1 234.347 1.711 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(CN)c1 ZINC001162468262 964987613 /nfs/dbraw/zinc/98/76/13/964987613.db2.gz WEPUYBXSDCXMQW-NWDGAFQWSA-N 2 1 248.374 1.588 20 0 BDADMP C[N@H+]1CCC[C@H]1CO[C@H]1CCC[NH+](C)C1 ZINC001224817026 964988102 /nfs/dbraw/zinc/98/81/02/964988102.db2.gz GMMBAUGOFIQUJQ-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@H]1CCC[N@H+](C)C1 ZINC001224817026 964988109 /nfs/dbraw/zinc/98/81/09/964988109.db2.gz GMMBAUGOFIQUJQ-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@H]1CCC[N@@H+](C)C1 ZINC001224817026 964988118 /nfs/dbraw/zinc/98/81/18/964988118.db2.gz GMMBAUGOFIQUJQ-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[C@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c(N2CCCC2)n1 ZINC001162670441 965104667 /nfs/dbraw/zinc/10/46/67/965104667.db2.gz LSNZYVUUGVZSCH-GHMZBOCLSA-N 2 1 247.346 1.239 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(C)F ZINC000698235476 965121981 /nfs/dbraw/zinc/12/19/81/965121981.db2.gz FCSKFQAYLJQWMB-VHSXEESVSA-N 2 1 202.317 1.855 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC000690529670 965190667 /nfs/dbraw/zinc/19/06/67/965190667.db2.gz NYZNYWVRDFHDIR-UPJWGTAASA-N 2 1 226.364 1.330 20 0 BDADMP CC(C)N(c1ncnc2c1C[NH2+]C2)C(C)(C)C[NH3+] ZINC001163186611 965287487 /nfs/dbraw/zinc/28/74/87/965287487.db2.gz IOVUZVVDSQHJJG-UHFFFAOYSA-N 2 1 249.362 1.032 20 0 BDADMP CCN(CC)CC[N@@H+](CC)CC1CC[NH2+]CC1 ZINC000094025373 965388522 /nfs/dbraw/zinc/38/85/22/965388522.db2.gz FQVFVZUGDRFKOD-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP CCN(CC[NH+](CC)CC)CC1CC[NH2+]CC1 ZINC000094025373 965388538 /nfs/dbraw/zinc/38/85/38/965388538.db2.gz FQVFVZUGDRFKOD-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP O=c1[nH]cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000714956386 965552671 /nfs/dbraw/zinc/55/26/71/965552671.db2.gz BSBMVMKWKGJSTK-FOSCPWQOSA-N 2 1 233.315 1.160 20 0 BDADMP OCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000714958998 965559563 /nfs/dbraw/zinc/55/95/63/965559563.db2.gz CMEQAAFYNSBWRV-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP C[C@H](C[NH+](C)C)Nc1cc[nH+]c(N2CCCC2)n1 ZINC001163773771 965575521 /nfs/dbraw/zinc/57/55/21/965575521.db2.gz WKDVNNICCNTKCS-LLVKDONJSA-N 2 1 249.362 1.439 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)CC[NH2+]1 ZINC000714979736 965575752 /nfs/dbraw/zinc/57/57/52/965575752.db2.gz WFHCEEYSMJXCPD-MWLCHTKSSA-N 2 1 221.304 1.017 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccnc(Cl)c1 ZINC000698884805 965585084 /nfs/dbraw/zinc/58/50/84/965585084.db2.gz XOVIUCITMMCJQL-UHFFFAOYSA-N 2 1 243.738 1.142 20 0 BDADMP C1C[NH2+][C@H]2CC[N@@H+](C3CCOCC3)C[C@@H]2C1 ZINC000715060644 965641739 /nfs/dbraw/zinc/64/17/39/965641739.db2.gz IZJUTUGXXGHLPH-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+][C@H]2CC[N@H+](C3CCOCC3)C[C@@H]2C1 ZINC000715060644 965641758 /nfs/dbraw/zinc/64/17/58/965641758.db2.gz IZJUTUGXXGHLPH-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@H]3CCCOC3)C[C@H]2C1 ZINC000715066403 965664620 /nfs/dbraw/zinc/66/46/20/965664620.db2.gz ZWNHSJGBPPTCPW-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205094787 965729317 /nfs/dbraw/zinc/72/93/17/965729317.db2.gz PMNOEZXTJFWUDS-NEPJUHHUSA-N 2 1 210.321 1.492 20 0 BDADMP CC1(C)COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699208698 965811697 /nfs/dbraw/zinc/81/16/97/965811697.db2.gz GDSRRCFTMDBMNP-YHWZYXNKSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3cnccc23)CC1 ZINC001205109063 965826713 /nfs/dbraw/zinc/82/67/13/965826713.db2.gz ACWMFSHPEJIQNT-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001205109512 965828575 /nfs/dbraw/zinc/82/85/75/965828575.db2.gz HIAPSDQCBGSTGF-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000699497610 965920654 /nfs/dbraw/zinc/92/06/54/965920654.db2.gz WQSFCZRYPLKNAX-OUCADQQQSA-N 2 1 238.375 1.485 20 0 BDADMP CN(C)c1cccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]1 ZINC001165145835 965973610 /nfs/dbraw/zinc/97/36/10/965973610.db2.gz YBWARSCGLDTZII-TXEJJXNPSA-N 2 1 246.358 1.145 20 0 BDADMP Nc1ccc(N2CCC3(CC([NH3+])C3)CC2)[nH+]c1 ZINC001165243955 966008975 /nfs/dbraw/zinc/00/89/75/966008975.db2.gz QHPNLASIBQJCDQ-UHFFFAOYSA-N 2 1 232.331 1.372 20 0 BDADMP Cc1c[nH+]c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c(C)c1 ZINC001165270685 966016090 /nfs/dbraw/zinc/01/60/90/966016090.db2.gz KAAATXMJBBUFDC-STQMWFEESA-N 2 1 247.342 1.266 20 0 BDADMP Cn1c(=O)cccc1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001165291216 966032858 /nfs/dbraw/zinc/03/28/58/966032858.db2.gz ZACLUPUEWYALPF-LBPRGKRZSA-N 2 1 249.358 1.529 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3ccncc3[nH]2)C[C@H]1C[NH3+] ZINC001205146081 966045261 /nfs/dbraw/zinc/04/52/61/966045261.db2.gz MUADFLPJVPSUTN-CMPLNLGQSA-N 2 1 244.342 1.590 20 0 BDADMP [NH3+][C@H]1[C@H]2CN(c3cc(C4CC4)cc[nH+]3)C[C@@H]12 ZINC001165382318 966071191 /nfs/dbraw/zinc/07/11/91/966071191.db2.gz MNFCUWBTGCEFNT-PTEHBNRSSA-N 2 1 215.300 1.352 20 0 BDADMP CS[C@H](C)CC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235977464 966190036 /nfs/dbraw/zinc/19/00/36/966190036.db2.gz GNKBZPKWERSWEM-VWYCJHECSA-N 2 1 214.378 1.551 20 0 BDADMP COc1ccccc1CCC[NH+]1CC(C)(C[NH3+])C1 ZINC001206711043 966191742 /nfs/dbraw/zinc/19/17/42/966191742.db2.gz DJTBFIJJQMZDLZ-UHFFFAOYSA-N 2 1 248.370 1.908 20 0 BDADMP Cn1cc(C[NH+]2CC(C)(C[NH3+])C2)c2ccccc21 ZINC001206711247 966191793 /nfs/dbraw/zinc/19/17/93/966191793.db2.gz HKCYDCWFWGCILU-UHFFFAOYSA-N 2 1 243.354 1.959 20 0 BDADMP C[C@H](C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1)c1ccccc1 ZINC001236016006 966228871 /nfs/dbraw/zinc/22/88/71/966228871.db2.gz NUEYQGCWGXWLDR-XBFCOCLRSA-N 2 1 216.328 1.823 20 0 BDADMP C[C@H](C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1)c1ccccc1 ZINC001236016006 966228879 /nfs/dbraw/zinc/22/88/79/966228879.db2.gz NUEYQGCWGXWLDR-XBFCOCLRSA-N 2 1 216.328 1.823 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3c2CCN3)C1 ZINC001236052423 966255071 /nfs/dbraw/zinc/25/50/71/966255071.db2.gz QUYPXITYBWBGBZ-WCQYABFASA-N 2 1 245.370 1.824 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001236052423 966255084 /nfs/dbraw/zinc/25/50/84/966255084.db2.gz QUYPXITYBWBGBZ-WCQYABFASA-N 2 1 245.370 1.824 20 0 BDADMP CC1(C[NH3+])C[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC001206712266 966263755 /nfs/dbraw/zinc/26/37/55/966263755.db2.gz ZDUIYSYIFKAWKZ-UHFFFAOYSA-N 2 1 246.354 1.445 20 0 BDADMP C([C@H]1CCCCO1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313953 966361503 /nfs/dbraw/zinc/36/15/03/966361503.db2.gz BKLWQIRDQIIIJL-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP CCc1[nH]c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(C)[nH+]1 ZINC001236575300 966455349 /nfs/dbraw/zinc/45/53/49/966455349.db2.gz HZVCRGBMDDIBGI-AOOOYVTPSA-N 2 1 236.363 1.463 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210609 966849068 /nfs/dbraw/zinc/84/90/68/966849068.db2.gz QDXIWKMPWPWURP-NWDGAFQWSA-N 2 1 246.420 1.304 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@H]2C1 ZINC001204089815 966888746 /nfs/dbraw/zinc/88/87/46/966888746.db2.gz RKENJFLURRXQGD-CYDGBPFRSA-N 2 1 240.416 1.669 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC001204144241 966901739 /nfs/dbraw/zinc/90/17/39/966901739.db2.gz FJTPKRYFRLQLGT-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP Cc1nc[nH]c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001204593769 967093324 /nfs/dbraw/zinc/09/33/24/967093324.db2.gz UBATUHDIXQPCCC-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001204593769 967093330 /nfs/dbraw/zinc/09/33/30/967093330.db2.gz UBATUHDIXQPCCC-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP Cc1nc[nH]c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001204593769 967093338 /nfs/dbraw/zinc/09/33/38/967093338.db2.gz UBATUHDIXQPCCC-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP CCc1[nH]c(CN2CC[C@](C)([NH3+])C2)c(C)[nH+]1 ZINC001204763989 967151846 /nfs/dbraw/zinc/15/18/46/967151846.db2.gz UZOBFQKGIVGZFB-LBPRGKRZSA-N 2 1 222.336 1.204 20 0 BDADMP CCc1[nH]c(CN2CC[C@@](C)([NH3+])C2)c(C)[nH+]1 ZINC001204763985 967154591 /nfs/dbraw/zinc/15/45/91/967154591.db2.gz UZOBFQKGIVGZFB-GFCCVEGCSA-N 2 1 222.336 1.204 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CC[C@@H](C)O)CC1 ZINC001204768848 967159649 /nfs/dbraw/zinc/15/96/49/967159649.db2.gz NGUHEDVISCWHFR-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000715580899 967195083 /nfs/dbraw/zinc/19/50/83/967195083.db2.gz OEGJTRHLNWQSNI-HZSPNIEDSA-N 2 1 239.407 1.543 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000715580899 967195089 /nfs/dbraw/zinc/19/50/89/967195089.db2.gz OEGJTRHLNWQSNI-HZSPNIEDSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1CN(CC[NH3+])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204895723 967216891 /nfs/dbraw/zinc/21/68/91/967216891.db2.gz BRPOUAIOXRZNQO-UONOGXRCSA-N 2 1 247.386 1.540 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938500 967243282 /nfs/dbraw/zinc/24/32/82/967243282.db2.gz MJFVJSXDTYDIMB-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP C[C@]1([NH3+])CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938500 967243293 /nfs/dbraw/zinc/24/32/93/967243293.db2.gz MJFVJSXDTYDIMB-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1CCC1CC[NH2+]CC1 ZINC001205058046 967313763 /nfs/dbraw/zinc/31/37/63/967313763.db2.gz DMVUXZUYIBSYMK-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP Cc1ncsc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093778 967336401 /nfs/dbraw/zinc/33/64/01/967336401.db2.gz GBNNICCGJVPBEP-JTQLQIEISA-N 2 1 225.361 1.765 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205093475 967339253 /nfs/dbraw/zinc/33/92/53/967339253.db2.gz AYJORKNJHDAPOC-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP Cc1ncsc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093780 967341398 /nfs/dbraw/zinc/34/13/98/967341398.db2.gz GBNNICCGJVPBEP-SNVBAGLBSA-N 2 1 225.361 1.765 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)CC1 ZINC001205101406 967349240 /nfs/dbraw/zinc/34/92/40/967349240.db2.gz FCDZLMAYQRNIDX-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1N ZINC001205109858 967354711 /nfs/dbraw/zinc/35/47/11/967354711.db2.gz LIWRIKSXBOKKOG-LBPRGKRZSA-N 2 1 249.358 1.591 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)CC1 ZINC001205117928 967365017 /nfs/dbraw/zinc/36/50/17/967365017.db2.gz ZBMPBJOYMFDPND-ZDUSSCGKSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc3ccncc3[nH]2)CC1 ZINC001205117816 967367161 /nfs/dbraw/zinc/36/71/61/967367161.db2.gz WBWZAQBATYLIEZ-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CC2OC=CC2=S)CC1 ZINC001205124281 967368825 /nfs/dbraw/zinc/36/88/25/967368825.db2.gz NHOIDMVTRILRMU-VIFPVBQESA-N 2 1 226.345 1.882 20 0 BDADMP Nc1c(F)cccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123973 967372132 /nfs/dbraw/zinc/37/21/32/967372132.db2.gz IAOQCRWGPBMEIS-LLVKDONJSA-N 2 1 237.322 1.721 20 0 BDADMP Nc1c(F)cccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123973 967372141 /nfs/dbraw/zinc/37/21/41/967372141.db2.gz IAOQCRWGPBMEIS-LLVKDONJSA-N 2 1 237.322 1.721 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000721954159 967383003 /nfs/dbraw/zinc/38/30/03/967383003.db2.gz IDAZITTZEBENCT-YIYPIFLZSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000721954159 967383018 /nfs/dbraw/zinc/38/30/18/967383018.db2.gz IDAZITTZEBENCT-YIYPIFLZSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccn3ccnc3c2)C[C@H]1C[NH3+] ZINC001205141159 967389554 /nfs/dbraw/zinc/38/95/54/967389554.db2.gz XSLAMCHTNSPFTC-WCQYABFASA-N 2 1 244.342 1.361 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCN3)C[C@H]1C[NH3+] ZINC001205151512 967395347 /nfs/dbraw/zinc/39/53/47/967395347.db2.gz WCZPKWHKRFMLEB-SMDDNHRTSA-N 2 1 245.370 1.681 20 0 BDADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccs2)CC1 ZINC001205210648 967427208 /nfs/dbraw/zinc/42/72/08/967427208.db2.gz QFYOACZDZQALCJ-LBPRGKRZSA-N 2 1 240.372 1.424 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CC2(F)CC[NH2+]CC2)CC1 ZINC001205256091 967447470 /nfs/dbraw/zinc/44/74/70/967447470.db2.gz MWLCSUJGBAYYFB-GFCCVEGCSA-N 3 1 243.370 1.281 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265260 967456524 /nfs/dbraw/zinc/45/65/24/967456524.db2.gz PDQFGJHHOIRMHF-LBPRGKRZSA-N 2 1 222.336 1.421 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccncc2N)CC1 ZINC001205274051 967465724 /nfs/dbraw/zinc/46/57/24/967465724.db2.gz SOJNWIFJTNHXMH-ZDUSSCGKSA-N 2 1 234.347 1.367 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2N)CC1 ZINC001205287900 967479472 /nfs/dbraw/zinc/47/94/72/967479472.db2.gz CVBDONLAVHCUJV-AWEZNQCLSA-N 2 1 233.359 1.972 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2cc3cnccc3[nH]2)CC1 ZINC001205046356 967596732 /nfs/dbraw/zinc/59/67/32/967596732.db2.gz FPIMSQAMBDXBTJ-UHFFFAOYSA-N 2 1 244.342 1.734 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546608 967689277 /nfs/dbraw/zinc/68/92/77/967689277.db2.gz XBMVOWGLVMRCLA-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccoc2)CC1 ZINC001205546631 967692685 /nfs/dbraw/zinc/69/26/85/967692685.db2.gz XLKMCRXEPKTXDG-GFCCVEGCSA-N 2 1 226.295 1.933 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC001205600502 967718239 /nfs/dbraw/zinc/71/82/39/967718239.db2.gz CCMDDPBWFVYFIZ-HZSPNIEDSA-N 2 1 240.391 1.720 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205615985 967725074 /nfs/dbraw/zinc/72/50/74/967725074.db2.gz BLQHGCJLLQTQIP-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205615985 967725095 /nfs/dbraw/zinc/72/50/95/967725095.db2.gz BLQHGCJLLQTQIP-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205615985 967725109 /nfs/dbraw/zinc/72/51/09/967725109.db2.gz BLQHGCJLLQTQIP-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cscn2)CC[C@@H]1C[NH3+] ZINC001205615801 967727409 /nfs/dbraw/zinc/72/74/09/967727409.db2.gz BDHRUHSTZOYYSS-WDEREUQCSA-N 2 1 239.388 1.950 20 0 BDADMP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c[nH]1 ZINC001205639302 967732769 /nfs/dbraw/zinc/73/27/69/967732769.db2.gz YRSNOBBXZMAMKR-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)[nH]1 ZINC001205639302 967732781 /nfs/dbraw/zinc/73/27/81/967732781.db2.gz YRSNOBBXZMAMKR-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)[nH]1 ZINC001205639302 967732796 /nfs/dbraw/zinc/73/27/96/967732796.db2.gz YRSNOBBXZMAMKR-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2N)CC[C@H]1C[NH3+] ZINC001205626955 967734614 /nfs/dbraw/zinc/73/46/14/967734614.db2.gz KXSIZYGVGYLMHU-RYUDHWBXSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2[O-])CC[C@@H]1C[NH3+] ZINC001205627552 967737821 /nfs/dbraw/zinc/73/78/21/967737821.db2.gz QNFXYYLGRGMFIB-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ccncc2O)CC[C@@H]1C[NH3+] ZINC001205627552 967737831 /nfs/dbraw/zinc/73/78/31/967737831.db2.gz QNFXYYLGRGMFIB-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2O)CC[C@@H]1C[NH3+] ZINC001205627552 967737834 /nfs/dbraw/zinc/73/78/34/967737834.db2.gz QNFXYYLGRGMFIB-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP Cn1c([NH2+][C@H]2CCC[C@@H]([NH3+])C2)cccc1=O ZINC001162402544 967828954 /nfs/dbraw/zinc/82/89/54/967828954.db2.gz UAELYCCULJSBRI-ZJUUUORDSA-N 2 1 221.304 1.067 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCCCCC[NH3+])C1 ZINC001205807041 967829449 /nfs/dbraw/zinc/82/94/49/967829449.db2.gz XLTLPOXJUAYAIX-OLZOCXBDSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])N(CCCCCC[NH3+])C1 ZINC001205807041 967829451 /nfs/dbraw/zinc/82/94/51/967829451.db2.gz XLTLPOXJUAYAIX-OLZOCXBDSA-N 2 1 227.396 1.565 20 0 BDADMP COC1CC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000703882912 967881522 /nfs/dbraw/zinc/88/15/22/967881522.db2.gz YIQMFJWXDSDSDA-YCKYNJIMSA-N 2 1 238.375 1.471 20 0 BDADMP COC1CC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000703882909 967882293 /nfs/dbraw/zinc/88/22/93/967882293.db2.gz YIQMFJWXDSDSDA-IYIPPKHMSA-N 2 1 238.375 1.471 20 0 BDADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1C ZINC001205946194 967896236 /nfs/dbraw/zinc/89/62/36/967896236.db2.gz JUABWDRBPBPXOK-ZIAGYGMSSA-N 2 1 234.343 1.197 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C)s1 ZINC001205953200 967899908 /nfs/dbraw/zinc/89/99/08/967899908.db2.gz NMNQDKXZFDGJAB-VXGBXAGGSA-N 2 1 240.372 1.259 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C)s1 ZINC001205953200 967899909 /nfs/dbraw/zinc/89/99/09/967899909.db2.gz NMNQDKXZFDGJAB-VXGBXAGGSA-N 2 1 240.372 1.259 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1C ZINC001205958973 967905352 /nfs/dbraw/zinc/90/53/52/967905352.db2.gz JAONYDFWPMCQJE-HUUCEWRRSA-N 2 1 248.370 1.506 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCO)CCC[C@H]1C[NH3+] ZINC001205984701 967931527 /nfs/dbraw/zinc/93/15/27/967931527.db2.gz UJXRSJPKYLTDIK-STQMWFEESA-N 2 1 228.380 1.456 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCO)CCC[C@@H]1C[NH3+] ZINC001205984700 967935575 /nfs/dbraw/zinc/93/55/75/967935575.db2.gz UJXRSJPKYLTDIK-QWHCGFSZSA-N 2 1 228.380 1.456 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncc[nH]2)CCC[C@H]1C[NH3+] ZINC001205992134 967939385 /nfs/dbraw/zinc/93/93/85/967939385.db2.gz DUXUDMGDFVJQJH-QWRGUYRKSA-N 2 1 222.336 1.217 20 0 BDADMP COCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205985671 967942563 /nfs/dbraw/zinc/94/25/63/967942563.db2.gz ZMBJLNLPKWEANY-QWHCGFSZSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1C[N@H+](Cc2csnn2)CCC[C@H]1C[NH3+] ZINC001206003413 967962194 /nfs/dbraw/zinc/96/21/94/967962194.db2.gz HQLUTEORSUHACS-ZJUUUORDSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2csnn2)CCC[C@H]1C[NH3+] ZINC001206003413 967962208 /nfs/dbraw/zinc/96/22/08/967962208.db2.gz HQLUTEORSUHACS-ZJUUUORDSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2N)CCC[C@H]1C[NH3+] ZINC001206014771 967967398 /nfs/dbraw/zinc/96/73/98/967967398.db2.gz XZPRXOOLIOLXQM-RYUDHWBXSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@H]1N ZINC001206036166 967996723 /nfs/dbraw/zinc/99/67/23/967996723.db2.gz HFRSVLSLUOUVHC-VXGBXAGGSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H]1N ZINC001206036166 967996748 /nfs/dbraw/zinc/99/67/48/967996748.db2.gz HFRSVLSLUOUVHC-VXGBXAGGSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CN(Cc2c[nH]c3cc[nH+]cc23)C[C@H]1[NH3+] ZINC001206065145 968034335 /nfs/dbraw/zinc/03/43/35/968034335.db2.gz OGRWZOHPCMKBNT-BXKDBHETSA-N 2 1 230.315 1.342 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccco2)CC[C@H]1F ZINC001206154460 968091417 /nfs/dbraw/zinc/09/14/17/968091417.db2.gz JDSYPXKDZURXBP-MNOVXSKESA-N 2 1 212.268 1.541 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccco2)CC[C@H]1F ZINC001206154460 968091406 /nfs/dbraw/zinc/09/14/06/968091406.db2.gz JDSYPXKDZURXBP-MNOVXSKESA-N 2 1 212.268 1.541 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccn1 ZINC001206164808 968101534 /nfs/dbraw/zinc/10/15/34/968101534.db2.gz LLJMZVQROSPNDD-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccn1 ZINC001206164808 968101540 /nfs/dbraw/zinc/10/15/40/968101540.db2.gz LLJMZVQROSPNDD-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206165790 968102067 /nfs/dbraw/zinc/10/20/67/968102067.db2.gz OUKNISPIZBXGLH-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206165790 968102075 /nfs/dbraw/zinc/10/20/75/968102075.db2.gz OUKNISPIZBXGLH-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc[nH]c2=O)CC1 ZINC001206305140 968213336 /nfs/dbraw/zinc/21/33/36/968213336.db2.gz UNMYFBRMBCOROT-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)co1 ZINC001206305226 968214769 /nfs/dbraw/zinc/21/47/69/968214769.db2.gz WOJKZPFSHWNWCU-ZDUSSCGKSA-N 2 1 237.347 1.934 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCCC[NH3+])C1 ZINC001206540984 968369661 /nfs/dbraw/zinc/36/96/61/968369661.db2.gz DZRBNMQZUTZEHO-ZDUSSCGKSA-N 3 1 227.396 1.566 20 0 BDADMP C[C@@]1(CN)CCCC[N@H+](CCCCC[NH3+])C1 ZINC001206540984 968369671 /nfs/dbraw/zinc/36/96/71/968369671.db2.gz DZRBNMQZUTZEHO-ZDUSSCGKSA-N 2 1 227.396 1.566 20 0 BDADMP C[C@@]1(CN)CCCC[N@@H+](CCCCC[NH3+])C1 ZINC001206540984 968369677 /nfs/dbraw/zinc/36/96/77/968369677.db2.gz DZRBNMQZUTZEHO-ZDUSSCGKSA-N 2 1 227.396 1.566 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206607384 968414359 /nfs/dbraw/zinc/41/43/59/968414359.db2.gz ZTQQUBBZPVABLT-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206607384 968414364 /nfs/dbraw/zinc/41/43/64/968414364.db2.gz ZTQQUBBZPVABLT-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206607383 968414724 /nfs/dbraw/zinc/41/47/24/968414724.db2.gz ZTQQUBBZPVABLT-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206607383 968414727 /nfs/dbraw/zinc/41/47/27/968414727.db2.gz ZTQQUBBZPVABLT-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP CC(C)[N@H+]1CC[C@H]([NH2+]C[C@H](C)O)[C@H](C)C1 ZINC001251978150 968421313 /nfs/dbraw/zinc/42/13/13/968421313.db2.gz NMYLLKMHWZXZIE-WOPDTQHZSA-N 2 1 214.353 1.076 20 0 BDADMP CCc1nccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206616925 968418230 /nfs/dbraw/zinc/41/82/30/968418230.db2.gz UJRQCIAZRXMMDF-GFCCVEGCSA-N 2 1 248.374 1.600 20 0 BDADMP CCc1nccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206616925 968418233 /nfs/dbraw/zinc/41/82/33/968418233.db2.gz UJRQCIAZRXMMDF-GFCCVEGCSA-N 2 1 248.374 1.600 20 0 BDADMP O[C@@H](C[NH2+]CCCc1[nH]cc[nH+]1)c1ccccc1 ZINC001252016740 968439675 /nfs/dbraw/zinc/43/96/75/968439675.db2.gz WUDMZYJFAXYUCX-ZDUSSCGKSA-N 2 1 245.326 1.666 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001206744194 968451765 /nfs/dbraw/zinc/45/17/65/968451765.db2.gz GXWFXLVAGIZJIR-VIFPVBQESA-N 2 1 224.270 1.795 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)n1C ZINC001206795938 968481575 /nfs/dbraw/zinc/48/15/75/968481575.db2.gz NZUMHNIOOKKNKY-TZMCWYRMSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)n1C ZINC001206795938 968481581 /nfs/dbraw/zinc/48/15/81/968481581.db2.gz NZUMHNIOOKKNKY-TZMCWYRMSA-N 2 1 248.374 1.255 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc[nH]c1=O ZINC001207007677 968540906 /nfs/dbraw/zinc/54/09/06/968540906.db2.gz VMBWQAOJSSJWSK-UHFFFAOYSA-N 2 1 249.358 1.705 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc[nH]c1=O ZINC001207007677 968540913 /nfs/dbraw/zinc/54/09/13/968540913.db2.gz VMBWQAOJSSJWSK-UHFFFAOYSA-N 2 1 249.358 1.705 20 0 BDADMP CCCC[C@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001252119594 968606761 /nfs/dbraw/zinc/60/67/61/968606761.db2.gz BDNPFGNAMGEGNT-NSHDSACASA-N 2 1 225.336 1.483 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](CO)C1 ZINC001207274466 968704836 /nfs/dbraw/zinc/70/48/36/968704836.db2.gz CRLQDTGRHCYXRP-LBPRGKRZSA-N 2 1 228.380 1.279 20 0 BDADMP CC[N@H+]1CCCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207276292 968709808 /nfs/dbraw/zinc/70/98/08/968709808.db2.gz UYZBTSDHDXQBSF-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC2(COC2)C1 ZINC001207280267 968713827 /nfs/dbraw/zinc/71/38/27/968713827.db2.gz SNICPHBPQVJJBH-UHFFFAOYSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001207282460 968715882 /nfs/dbraw/zinc/71/58/82/968715882.db2.gz JZVYSLUMVLNMGA-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@](C)(O)C1 ZINC001207286509 968716648 /nfs/dbraw/zinc/71/66/48/968716648.db2.gz VNYIOPULSLZFFN-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CCC(=O)[C@H](F)CC2)CC1 ZINC001207392215 968751443 /nfs/dbraw/zinc/75/14/43/968751443.db2.gz WPCSEUNSBVNKRF-GFCCVEGCSA-N 2 1 242.338 1.331 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1CC1CC[NH2+]CC1 ZINC001207436545 968768075 /nfs/dbraw/zinc/76/80/75/968768075.db2.gz NNFDNBLDIDUYHT-MWLCHTKSSA-N 2 1 200.301 1.418 20 0 BDADMP C[C@@]1(F)CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC001207436837 968768750 /nfs/dbraw/zinc/76/87/50/968768750.db2.gz RTPWFCCJGCCRGT-NWDGAFQWSA-N 2 1 232.318 1.758 20 0 BDADMP CN1CC[C@@H]([N@@H+](C)CCC2CC[NH+](C)CC2)C1 ZINC001207485215 968797888 /nfs/dbraw/zinc/79/78/88/968797888.db2.gz URVDWMYVYRJXKC-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP COC[C@H]1CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207488867 968801372 /nfs/dbraw/zinc/80/13/72/968801372.db2.gz QZDSZJLRGPWHIQ-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC001207487627 968803322 /nfs/dbraw/zinc/80/33/22/968803322.db2.gz OSJMBSPGCKIBGN-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+](C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962683 968959040 /nfs/dbraw/zinc/95/90/40/968959040.db2.gz USMFPCHRHWOTQP-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962683 968959042 /nfs/dbraw/zinc/95/90/42/968959042.db2.gz USMFPCHRHWOTQP-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[C@@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252789102 968964304 /nfs/dbraw/zinc/96/43/04/968964304.db2.gz HZPAJPZLLNIMQN-JHJVBQTASA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](O)C2)CC1 ZINC001208105246 969000083 /nfs/dbraw/zinc/00/00/83/969000083.db2.gz SPRDDERKGVBJQF-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]23CCOC3)CC1 ZINC001208110336 969009183 /nfs/dbraw/zinc/00/91/83/969009183.db2.gz AVIMJBFWTJUABV-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+](CC)C[C@@H](O)CNc1[nH+]cccc1C ZINC001253174939 969093012 /nfs/dbraw/zinc/09/30/12/969093012.db2.gz SFJPERZQXRUCDQ-LBPRGKRZSA-N 2 1 237.347 1.505 20 0 BDADMP CC[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)OC)CC1 ZINC001208598034 969152424 /nfs/dbraw/zinc/15/24/24/969152424.db2.gz QTBIZCKCMICDPJ-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)OC)CC1 ZINC001208598034 969152431 /nfs/dbraw/zinc/15/24/31/969152431.db2.gz QTBIZCKCMICDPJ-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@]3(CCOC3)C2)C1 ZINC001208605189 969156123 /nfs/dbraw/zinc/15/61/23/969156123.db2.gz ALVOHTUVMOTEEL-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@]3(CCOC3)C2)C1 ZINC001208605189 969156128 /nfs/dbraw/zinc/15/61/28/969156128.db2.gz ALVOHTUVMOTEEL-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@]3(CCOC3)C2)C1 ZINC001208605189 969156132 /nfs/dbraw/zinc/15/61/32/969156132.db2.gz ALVOHTUVMOTEEL-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001208616839 969173072 /nfs/dbraw/zinc/17/30/72/969173072.db2.gz MIPFXUOMMZRTTN-ZDEQEGDKSA-N 2 1 226.339 1.476 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001208616839 969173075 /nfs/dbraw/zinc/17/30/75/969173075.db2.gz MIPFXUOMMZRTTN-ZDEQEGDKSA-N 2 1 226.339 1.476 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001208616839 969173080 /nfs/dbraw/zinc/17/30/80/969173080.db2.gz MIPFXUOMMZRTTN-ZDEQEGDKSA-N 2 1 226.339 1.476 20 0 BDADMP CC[N@H+]1CCN(C[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208612574 969173916 /nfs/dbraw/zinc/17/39/16/969173916.db2.gz CAIRXDUZWIAGQM-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCN(C[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001208612574 969173920 /nfs/dbraw/zinc/17/39/20/969173920.db2.gz CAIRXDUZWIAGQM-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001208612574 969173923 /nfs/dbraw/zinc/17/39/23/969173923.db2.gz CAIRXDUZWIAGQM-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H]3OCC[C@H]3C2)C1 ZINC001208618305 969177910 /nfs/dbraw/zinc/17/79/10/969177910.db2.gz WEYWMQYDBZDZDN-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3OCC[C@H]3C2)C1 ZINC001208618305 969177914 /nfs/dbraw/zinc/17/79/14/969177914.db2.gz WEYWMQYDBZDZDN-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)C1 ZINC001208618305 969177919 /nfs/dbraw/zinc/17/79/19/969177919.db2.gz WEYWMQYDBZDZDN-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3OCC[C@H]3C2)C1 ZINC001208618305 969177922 /nfs/dbraw/zinc/17/79/22/969177922.db2.gz WEYWMQYDBZDZDN-IHRRRGAJSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1cc(NC2=CC[N@@H+](C)CC2)cc[nH+]1 ZINC001208720056 969204869 /nfs/dbraw/zinc/20/48/69/969204869.db2.gz XRZYWIQXXLPLBT-UHFFFAOYSA-N 2 1 203.289 1.443 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CCCc1cccnc1 ZINC001209177389 969372195 /nfs/dbraw/zinc/37/21/95/969372195.db2.gz ORBCCZLFSOZQOO-UHFFFAOYSA-N 2 1 235.375 1.898 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001253768110 969390190 /nfs/dbraw/zinc/39/01/90/969390190.db2.gz RGHXFUSVEDURFK-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001253768110 969390199 /nfs/dbraw/zinc/39/01/99/969390199.db2.gz RGHXFUSVEDURFK-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCn1ccnc1)C2 ZINC001169081351 969404101 /nfs/dbraw/zinc/40/41/01/969404101.db2.gz RUXKPUSWIVDXCE-ZSOGYDGISA-N 2 1 248.374 1.488 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccncn1)C2 ZINC001169123099 969418073 /nfs/dbraw/zinc/41/80/73/969418073.db2.gz IZDLYRBLXYMBLT-ZSOGYDGISA-N 2 1 246.358 1.234 20 0 BDADMP COC1CC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169122887 969418640 /nfs/dbraw/zinc/41/86/40/969418640.db2.gz FUZMYDKCPGOVGM-RUCXBIIGSA-N 2 1 238.375 1.626 20 0 BDADMP CCC[N@@H+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124857 969423308 /nfs/dbraw/zinc/42/33/08/969423308.db2.gz FQGUEHYDXAXUSC-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[NH+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124857 969423316 /nfs/dbraw/zinc/42/33/16/969423316.db2.gz FQGUEHYDXAXUSC-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[NH+](CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124857 969423324 /nfs/dbraw/zinc/42/33/24/969423324.db2.gz FQGUEHYDXAXUSC-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125978 969424919 /nfs/dbraw/zinc/42/49/19/969424919.db2.gz OJJOTOKQUWINKI-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125978 969424924 /nfs/dbraw/zinc/42/49/24/969424924.db2.gz OJJOTOKQUWINKI-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125978 969424928 /nfs/dbraw/zinc/42/49/28/969424928.db2.gz OJJOTOKQUWINKI-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125978 969424931 /nfs/dbraw/zinc/42/49/31/969424931.db2.gz OJJOTOKQUWINKI-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@](C)(CO)C1)C2 ZINC001169125411 969428197 /nfs/dbraw/zinc/42/81/97/969428197.db2.gz HZCMGCATGSANOX-CRWXNKLISA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@](C)(CO)C1)C2 ZINC001169125411 969428199 /nfs/dbraw/zinc/42/81/99/969428199.db2.gz HZCMGCATGSANOX-CRWXNKLISA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@](C)(CO)C1)C2 ZINC001169125411 969428202 /nfs/dbraw/zinc/42/82/02/969428202.db2.gz HZCMGCATGSANOX-CRWXNKLISA-N 2 1 238.375 1.316 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1CO)C2 ZINC001169125373 969429015 /nfs/dbraw/zinc/42/90/15/969429015.db2.gz HJWCUPWCAMKZEW-QNWHQSFQSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C2 ZINC001169114088 969453842 /nfs/dbraw/zinc/45/38/42/969453842.db2.gz WQQMHYKTLKRCPD-FPYNETTCSA-N 2 1 238.375 1.361 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]13CCOC3)C2 ZINC001169153026 969461805 /nfs/dbraw/zinc/46/18/05/969461805.db2.gz GCUTUUTYDZNOKF-CRWXNKLISA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]13CCOC3)C2 ZINC001169153026 969461811 /nfs/dbraw/zinc/46/18/11/969461811.db2.gz GCUTUUTYDZNOKF-CRWXNKLISA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]13CCOC3)C2 ZINC001169153026 969461820 /nfs/dbraw/zinc/46/18/20/969461820.db2.gz GCUTUUTYDZNOKF-CRWXNKLISA-N 2 1 236.359 1.476 20 0 BDADMP COC[C@@H]1CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160095 969477829 /nfs/dbraw/zinc/47/78/29/969477829.db2.gz AUWLOQOHCSDFAB-QNWHQSFQSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160095 969477840 /nfs/dbraw/zinc/47/78/40/969477840.db2.gz AUWLOQOHCSDFAB-QNWHQSFQSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160095 969477847 /nfs/dbraw/zinc/47/78/47/969477847.db2.gz AUWLOQOHCSDFAB-QNWHQSFQSA-N 2 1 224.348 1.332 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CC(F)C2)CC1 ZINC001169219416 969487117 /nfs/dbraw/zinc/48/71/17/969487117.db2.gz AVDKSUOXABZHHH-UHFFFAOYSA-N 2 1 200.301 1.561 20 0 BDADMP O[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209450485 969517774 /nfs/dbraw/zinc/51/77/74/969517774.db2.gz RTOCOJDSHMAJEX-CQSZACIVSA-N 2 1 240.391 1.709 20 0 BDADMP C[N@H+]1C[C@@H]2C[C@H]1CN2CCC[NH+]1CCCCC1 ZINC001209449846 969519941 /nfs/dbraw/zinc/51/99/41/969519941.db2.gz AVJBYERWQQFKMG-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP CCN1CCC([N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001169246257 969536154 /nfs/dbraw/zinc/53/61/54/969536154.db2.gz QZYOFMQLFKEHRA-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001169246257 969536162 /nfs/dbraw/zinc/53/61/62/969536162.db2.gz QZYOFMQLFKEHRA-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001169246257 969536165 /nfs/dbraw/zinc/53/61/65/969536165.db2.gz QZYOFMQLFKEHRA-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH]1 ZINC001209576720 969560559 /nfs/dbraw/zinc/56/05/59/969560559.db2.gz CLBQHGFJWQIETF-CQSZACIVSA-N 2 1 233.359 1.851 20 0 BDADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)[nH]1 ZINC001209576720 969560567 /nfs/dbraw/zinc/56/05/67/969560567.db2.gz CLBQHGFJWQIETF-CQSZACIVSA-N 2 1 233.359 1.851 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001209576720 969560574 /nfs/dbraw/zinc/56/05/74/969560574.db2.gz CLBQHGFJWQIETF-CQSZACIVSA-N 2 1 233.359 1.851 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001209576720 969560578 /nfs/dbraw/zinc/56/05/78/969560578.db2.gz CLBQHGFJWQIETF-CQSZACIVSA-N 2 1 233.359 1.851 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)[C@@H]1CO ZINC001209728422 969579489 /nfs/dbraw/zinc/57/94/89/969579489.db2.gz DXUIZHSLGXWDHD-ZWNOBZJWSA-N 2 1 235.331 1.087 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)[C@@H]1CO ZINC001209728422 969579491 /nfs/dbraw/zinc/57/94/91/969579491.db2.gz DXUIZHSLGXWDHD-ZWNOBZJWSA-N 2 1 235.331 1.087 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(O)cn2)CCC[C@@H]1C[NH3+] ZINC001206011663 969635355 /nfs/dbraw/zinc/63/53/55/969635355.db2.gz FTUCMOMZDAPYBD-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP CCC[C@H](CO)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254504001 969667099 /nfs/dbraw/zinc/66/70/99/969667099.db2.gz QGJHOOUSAAIGOE-NWDGAFQWSA-N 2 1 214.353 1.221 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC(C)(C)O2)CC1 ZINC001254503634 969668026 /nfs/dbraw/zinc/66/80/26/969668026.db2.gz NZKVZHFXDMWUCV-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)nc1 ZINC001254506828 969674166 /nfs/dbraw/zinc/67/41/66/969674166.db2.gz AZRWRASIKCZQRL-GFCCVEGCSA-N 2 1 249.358 1.664 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)nc1 ZINC001254506828 969674178 /nfs/dbraw/zinc/67/41/78/969674178.db2.gz AZRWRASIKCZQRL-GFCCVEGCSA-N 2 1 249.358 1.664 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCC(=O)C2)CC1 ZINC001254506860 969674824 /nfs/dbraw/zinc/67/48/24/969674824.db2.gz BROCYHXRHMNVSG-NEPJUHHUSA-N 2 1 224.348 1.572 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCC(=O)C2)CC1 ZINC001254506860 969674833 /nfs/dbraw/zinc/67/48/33/969674833.db2.gz BROCYHXRHMNVSG-NEPJUHHUSA-N 2 1 224.348 1.572 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)C(C)(C)O)CC1 ZINC001254510784 969677386 /nfs/dbraw/zinc/67/73/86/969677386.db2.gz QLFIRPCUTPTNJV-NSHDSACASA-N 2 1 228.380 1.610 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)CC1 ZINC001254511958 969684505 /nfs/dbraw/zinc/68/45/05/969684505.db2.gz HJSZXVAOFAWXHY-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@H](CO)c2cccnc2)CC1 ZINC001254514562 969689261 /nfs/dbraw/zinc/68/92/61/969689261.db2.gz MLNCDZRECSWRFF-UONOGXRCSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H](CO)c2cccnc2)CC1 ZINC001254514562 969689273 /nfs/dbraw/zinc/68/92/73/969689273.db2.gz MLNCDZRECSWRFF-UONOGXRCSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCC3(COC3)C2)CC1 ZINC001254520646 969696580 /nfs/dbraw/zinc/69/65/80/969696580.db2.gz OYVFBLYXDRKEGD-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC3(COC3)C2)CC1 ZINC001254520646 969696586 /nfs/dbraw/zinc/69/65/86/969696586.db2.gz OYVFBLYXDRKEGD-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCC3(COC3)C2)CC1 ZINC001254520646 969696596 /nfs/dbraw/zinc/69/65/96/969696596.db2.gz OYVFBLYXDRKEGD-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+](C)C[C@@H]1CCCN1[C@H]1CCC[N@@H+](C)CC1 ZINC001254523952 969709113 /nfs/dbraw/zinc/70/91/13/969709113.db2.gz SLSBYFMDAVICSL-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP COC(C[N@H+](C)[C@@H]1CCC[NH+](C)CC1)OC ZINC001254525157 969710451 /nfs/dbraw/zinc/71/04/51/969710451.db2.gz GUYXBNVFVMLHBH-LLVKDONJSA-N 2 1 230.352 1.021 20 0 BDADMP COC(C[N@@H+](C)[C@@H]1CCC[NH+](C)CC1)OC ZINC001254525157 969710454 /nfs/dbraw/zinc/71/04/54/969710454.db2.gz GUYXBNVFVMLHBH-LLVKDONJSA-N 2 1 230.352 1.021 20 0 BDADMP COC(C[NH+](C)[C@@H]1CCC[N@H+](C)CC1)OC ZINC001254525157 969710457 /nfs/dbraw/zinc/71/04/57/969710457.db2.gz GUYXBNVFVMLHBH-LLVKDONJSA-N 2 1 230.352 1.021 20 0 BDADMP COC(C[NH+](C)[C@@H]1CCC[N@@H+](C)CC1)OC ZINC001254525157 969710459 /nfs/dbraw/zinc/71/04/59/969710459.db2.gz GUYXBNVFVMLHBH-LLVKDONJSA-N 2 1 230.352 1.021 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001254529292 969724781 /nfs/dbraw/zinc/72/47/81/969724781.db2.gz LQOOGCWIFUJGDG-IHRRRGAJSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001254529292 969724791 /nfs/dbraw/zinc/72/47/91/969724791.db2.gz LQOOGCWIFUJGDG-IHRRRGAJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001254529292 969724797 /nfs/dbraw/zinc/72/47/97/969724797.db2.gz LQOOGCWIFUJGDG-IHRRRGAJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001254529292 969724807 /nfs/dbraw/zinc/72/48/07/969724807.db2.gz LQOOGCWIFUJGDG-IHRRRGAJSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+]([C@@H]1CCCOC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254533634 969727653 /nfs/dbraw/zinc/72/76/53/969727653.db2.gz NZTGRQCNSBOHIJ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254533634 969727660 /nfs/dbraw/zinc/72/76/60/969727660.db2.gz NZTGRQCNSBOHIJ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254533634 969727666 /nfs/dbraw/zinc/72/76/66/969727666.db2.gz NZTGRQCNSBOHIJ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001254529837 969729075 /nfs/dbraw/zinc/72/90/75/969729075.db2.gz RKWBQGLGVQHSEJ-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001254529837 969729083 /nfs/dbraw/zinc/72/90/83/969729083.db2.gz RKWBQGLGVQHSEJ-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001254529837 969729088 /nfs/dbraw/zinc/72/90/88/969729088.db2.gz RKWBQGLGVQHSEJ-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP COc1[nH+]ccc(NCC[C@H]2CCC[NH2+]2)c1N ZINC001169564798 969762578 /nfs/dbraw/zinc/76/25/78/969762578.db2.gz UHKHXUFXCKDCMI-SECBINFHSA-N 2 1 236.319 1.226 20 0 BDADMP C[N@H+]1CCCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254852599 969805963 /nfs/dbraw/zinc/80/59/63/969805963.db2.gz HOSKLVPWTINLPK-AWEZNQCLSA-N 2 1 237.391 1.108 20 0 BDADMP [NH3+]CCCC[N@H+]1CCNC[C@H]1c1ccccc1 ZINC001210196527 969829622 /nfs/dbraw/zinc/82/96/22/969829622.db2.gz OMESFAQALRDXMD-AWEZNQCLSA-N 2 1 233.359 1.372 20 0 BDADMP [NH3+]CCCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210196527 969829627 /nfs/dbraw/zinc/82/96/27/969829627.db2.gz OMESFAQALRDXMD-AWEZNQCLSA-N 2 1 233.359 1.372 20 0 BDADMP [NH3+]CCCCC[N@@H+]1CCNC[C@H]1c1ccccc1 ZINC001210197157 969829909 /nfs/dbraw/zinc/82/99/09/969829909.db2.gz XYXCUCWLFCEISO-HNNXBMFYSA-N 2 1 247.386 1.762 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCNC[C@H]1c1ccccc1 ZINC001210197157 969829912 /nfs/dbraw/zinc/82/99/12/969829912.db2.gz XYXCUCWLFCEISO-HNNXBMFYSA-N 2 1 247.386 1.762 20 0 BDADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC001255044324 969863661 /nfs/dbraw/zinc/86/36/61/969863661.db2.gz QPUQJXJRTZGNHU-UHFFFAOYSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+](C)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255279227 970030321 /nfs/dbraw/zinc/03/03/21/970030321.db2.gz HSSIVCOCYXIESL-NSHDSACASA-N 2 1 214.378 1.518 20 0 BDADMP CCCC[C@@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001255314751 970086066 /nfs/dbraw/zinc/08/60/66/970086066.db2.gz RPXUEJGJACGYLJ-GHMZBOCLSA-N 2 1 225.336 1.496 20 0 BDADMP C[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(F)c(F)c2)C1 ZINC001255411647 970130010 /nfs/dbraw/zinc/13/00/10/970130010.db2.gz KCJGFYDQZFRVDC-SECBINFHSA-N 2 1 239.269 1.584 20 0 BDADMP C[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc(F)c(F)c2)C1 ZINC001255411647 970130015 /nfs/dbraw/zinc/13/00/15/970130015.db2.gz KCJGFYDQZFRVDC-SECBINFHSA-N 2 1 239.269 1.584 20 0 BDADMP C[N@H+]1CC[C@@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001255412601 970131346 /nfs/dbraw/zinc/13/13/46/970131346.db2.gz TUNKCCUXCZLTHW-GFCCVEGCSA-N 2 1 230.315 1.372 20 0 BDADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001255412703 970132090 /nfs/dbraw/zinc/13/20/90/970132090.db2.gz UWOYQEBTQXKMEQ-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+](CC)[C@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC001255439034 970169511 /nfs/dbraw/zinc/16/95/11/970169511.db2.gz QCFHCBXYMUGWLN-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP COC1CCC(n2cc[nH+]c2CCC[NH3+])CC1 ZINC001255456135 970185924 /nfs/dbraw/zinc/18/59/24/970185924.db2.gz ZSCVZOLNNNZZNH-UHFFFAOYSA-N 2 1 237.347 1.905 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001255467934 970195007 /nfs/dbraw/zinc/19/50/07/970195007.db2.gz LXWLUNARLSGQKE-AWEZNQCLSA-N 2 1 233.359 1.694 20 0 BDADMP CC(C)N([C@@H]1CCC[N@@H+](C)C1)C(C)(C)C[NH3+] ZINC001255479481 970210695 /nfs/dbraw/zinc/21/06/95/970210695.db2.gz IWNYAPWUKICSFV-GFCCVEGCSA-N 2 1 227.396 1.528 20 0 BDADMP CN(C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC001255479287 970211157 /nfs/dbraw/zinc/21/11/57/970211157.db2.gz GDPKVKGKHNDCOY-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1CN([C@@H]1CCC[NH+](C)C1)CC2 ZINC001255493164 970254387 /nfs/dbraw/zinc/25/43/87/970254387.db2.gz UUBIHSORWNPRGV-HZSPNIEDSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN([C@@H]1CCC[N@H+](C)C1)CC2 ZINC001255493164 970254402 /nfs/dbraw/zinc/25/44/02/970254402.db2.gz UUBIHSORWNPRGV-HZSPNIEDSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN([C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001255493164 970254415 /nfs/dbraw/zinc/25/44/15/970254415.db2.gz UUBIHSORWNPRGV-HZSPNIEDSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC2(CN([C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001255492715 970254931 /nfs/dbraw/zinc/25/49/31/970254931.db2.gz LFUJLIQSFWVTGL-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC2(CN([C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001255492715 970254943 /nfs/dbraw/zinc/25/49/43/970254943.db2.gz LFUJLIQSFWVTGL-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C)C1 ZINC001170103490 970300050 /nfs/dbraw/zinc/30/00/50/970300050.db2.gz GEPHNQNFSHZOGR-SRVKXCTJSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001170125088 970369463 /nfs/dbraw/zinc/36/94/63/970369463.db2.gz JMWQNJHVEAWRMC-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001255582991 970388674 /nfs/dbraw/zinc/38/86/74/970388674.db2.gz GMXSDQIUXLMDHH-SDDRHHMPSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255667092 970447483 /nfs/dbraw/zinc/44/74/83/970447483.db2.gz BFQQHDWOFMKXMW-RGHGFSEVSA-N 2 1 238.375 1.769 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255667092 970447488 /nfs/dbraw/zinc/44/74/88/970447488.db2.gz BFQQHDWOFMKXMW-RGHGFSEVSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001255674053 970449779 /nfs/dbraw/zinc/44/97/79/970449779.db2.gz JYZJSHBVXYCZBV-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001255674053 970449783 /nfs/dbraw/zinc/44/97/83/970449783.db2.gz JYZJSHBVXYCZBV-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001255674053 970449787 /nfs/dbraw/zinc/44/97/87/970449787.db2.gz JYZJSHBVXYCZBV-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001255674053 970449793 /nfs/dbraw/zinc/44/97/93/970449793.db2.gz JYZJSHBVXYCZBV-HABKJSAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001170151702 970457094 /nfs/dbraw/zinc/45/70/94/970457094.db2.gz RQWIVSVMXOAUJZ-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CCC[N@@H+]1C[C@H]2CN(c3cccc(N)[nH+]3)C[C@H]2C1 ZINC001157691002 970539383 /nfs/dbraw/zinc/53/93/83/970539383.db2.gz NJMUDCSBIUSERN-TXEJJXNPSA-N 2 1 246.358 1.442 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCCCCC1 ZINC001255881522 970543840 /nfs/dbraw/zinc/54/38/40/970543840.db2.gz LZTZQUJAFFBACU-GFCCVEGCSA-N 2 1 242.363 1.579 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@H+]2CC[C@H]2C1 ZINC001255969189 970609320 /nfs/dbraw/zinc/60/93/20/970609320.db2.gz VADOQSIBELEFPO-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H]1C[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001170235552 970609807 /nfs/dbraw/zinc/60/98/07/970609807.db2.gz NJUTXBISNLIOET-STQMWFEESA-N 2 1 249.358 1.699 20 0 BDADMP CC[C@H]1C[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001170235552 970609814 /nfs/dbraw/zinc/60/98/14/970609814.db2.gz NJUTXBISNLIOET-STQMWFEESA-N 2 1 249.358 1.699 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256066961 970630571 /nfs/dbraw/zinc/63/05/71/970630571.db2.gz AVSJURKTYXGXEI-BJHJDKERSA-N 2 1 224.348 1.380 20 0 BDADMP CO[C@H]1CC[N@H+](C2CCN(C3CC3)CC2)C1 ZINC001256075788 970639703 /nfs/dbraw/zinc/63/97/03/970639703.db2.gz QRGRHQWMMRPZSB-ZDUSSCGKSA-N 2 1 224.348 1.334 20 0 BDADMP CO[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075788 970639706 /nfs/dbraw/zinc/63/97/06/970639706.db2.gz QRGRHQWMMRPZSB-ZDUSSCGKSA-N 2 1 224.348 1.334 20 0 BDADMP CO[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075788 970639709 /nfs/dbraw/zinc/63/97/09/970639709.db2.gz QRGRHQWMMRPZSB-ZDUSSCGKSA-N 2 1 224.348 1.334 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256073829 970642666 /nfs/dbraw/zinc/64/26/66/970642666.db2.gz ZYMWMROMWDNTJL-RISCZKNCSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256073829 970642676 /nfs/dbraw/zinc/64/26/76/970642676.db2.gz ZYMWMROMWDNTJL-RISCZKNCSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCN(C4CC4)CC3)C[C@@H]2C1 ZINC001256079405 970645518 /nfs/dbraw/zinc/64/55/18/970645518.db2.gz JSWGWWRLEPXBSP-BETUJISGSA-N 2 1 249.402 1.107 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C3CCN(C4CC4)CC3)C[C@@H]2C1 ZINC001256079405 970645527 /nfs/dbraw/zinc/64/55/27/970645527.db2.gz JSWGWWRLEPXBSP-BETUJISGSA-N 2 1 249.402 1.107 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCN(C4CC4)CC3)C[C@@H]2C1 ZINC001256079405 970645536 /nfs/dbraw/zinc/64/55/36/970645536.db2.gz JSWGWWRLEPXBSP-BETUJISGSA-N 2 1 249.402 1.107 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2cccc(O)c2)CC1 ZINC001256194463 970682862 /nfs/dbraw/zinc/68/28/62/970682862.db2.gz BNRUPKHESYEHKT-UHFFFAOYSA-N 2 1 234.343 1.619 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC001256197579 970688609 /nfs/dbraw/zinc/68/86/09/970688609.db2.gz LGKQEVRNBWKAOO-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(F)CCOCC2)CC1 ZINC001256195413 970689805 /nfs/dbraw/zinc/68/98/05/970689805.db2.gz SVRBZBFYEVGRGG-UHFFFAOYSA-N 2 1 230.327 1.189 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@H](O)CC2)CC1 ZINC001256202049 970693191 /nfs/dbraw/zinc/69/31/91/970693191.db2.gz VPWNNUACEPZRCE-AULYBMBSSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2C[C@@]23CCCOC3)CC1 ZINC001256201871 970694593 /nfs/dbraw/zinc/69/45/93/970694593.db2.gz RKYPEBKTYPEQTM-QWHCGFSZSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH+]1CCC([NH+]2CCC(CF)CC2)CC1 ZINC001256207232 970712733 /nfs/dbraw/zinc/71/27/33/970712733.db2.gz DBMBEJMEGFZOGT-UHFFFAOYSA-N 2 1 214.328 1.762 20 0 BDADMP CC[N@H+]1CCN(C2CC[NH+](C)CC2)C[C@H]1C ZINC001256214267 970716494 /nfs/dbraw/zinc/71/64/94/970716494.db2.gz GRWPYTCUEQPLRW-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2ncccc2F)CC1 ZINC001222531501 972549549 /nfs/dbraw/zinc/54/95/49/972549549.db2.gz BXKVSMIBQOMOON-UHFFFAOYSA-N 2 1 241.285 1.484 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548070 972678527 /nfs/dbraw/zinc/67/85/27/972678527.db2.gz QOTPZVITMYTQLG-JHJVBQTASA-N 3 1 225.380 1.330 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548070 972678530 /nfs/dbraw/zinc/67/85/30/972678530.db2.gz QOTPZVITMYTQLG-JHJVBQTASA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246549770 972700654 /nfs/dbraw/zinc/70/06/54/972700654.db2.gz HXNSXYFNDIQTJS-GWOFURMSSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246549770 972700667 /nfs/dbraw/zinc/70/06/67/972700667.db2.gz HXNSXYFNDIQTJS-GWOFURMSSA-N 2 1 200.301 1.559 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550965 972726205 /nfs/dbraw/zinc/72/62/05/972726205.db2.gz ZMWNKTIDFVDZFG-YIYPIFLZSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550965 972726210 /nfs/dbraw/zinc/72/62/10/972726210.db2.gz ZMWNKTIDFVDZFG-YIYPIFLZSA-N 3 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550965 972726218 /nfs/dbraw/zinc/72/62/18/972726218.db2.gz ZMWNKTIDFVDZFG-YIYPIFLZSA-N 3 1 237.391 1.425 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550965 972726225 /nfs/dbraw/zinc/72/62/25/972726225.db2.gz ZMWNKTIDFVDZFG-YIYPIFLZSA-N 3 1 237.391 1.425 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]([NH3+])CC1)C2 ZINC001246550965 972726232 /nfs/dbraw/zinc/72/62/32/972726232.db2.gz ZMWNKTIDFVDZFG-YIYPIFLZSA-N 3 1 237.391 1.425 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](O)(CF)CC2)CC[NH2+]1 ZINC001246568170 972823014 /nfs/dbraw/zinc/82/30/14/972823014.db2.gz MDANXLFNXZTQNH-FRRDWIJNSA-N 2 1 244.354 1.313 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592581 972994935 /nfs/dbraw/zinc/99/49/35/972994935.db2.gz KOEIVQJJRLZAJY-IGQOVBAYSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246592581 972994941 /nfs/dbraw/zinc/99/49/41/972994941.db2.gz KOEIVQJJRLZAJY-IGQOVBAYSA-N 3 1 237.391 1.330 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH2+]CC2)CCC[C@@]1(C)O ZINC001246590317 972996555 /nfs/dbraw/zinc/99/65/55/972996555.db2.gz JCRLEPLEGDCBOX-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246609295 973032810 /nfs/dbraw/zinc/03/28/10/973032810.db2.gz MDEYIGRBUHEFTA-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246609295 973032822 /nfs/dbraw/zinc/03/28/22/973032822.db2.gz MDEYIGRBUHEFTA-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246636040 973050197 /nfs/dbraw/zinc/05/01/97/973050197.db2.gz BPTRJDPOXZJPNK-QWHCGFSZSA-N 3 1 237.391 1.202 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668613 973077417 /nfs/dbraw/zinc/07/74/17/973077417.db2.gz ZVNYGVMBQLWPFF-AAVRWANBSA-N 3 1 237.391 1.330 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246668613 973077429 /nfs/dbraw/zinc/07/74/29/973077429.db2.gz ZVNYGVMBQLWPFF-AAVRWANBSA-N 3 1 237.391 1.330 20 0 BDADMP C[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]1C ZINC001246792858 973093773 /nfs/dbraw/zinc/09/37/73/973093773.db2.gz YCNNJAIQJBYUOD-UPJWGTAASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810496 973114217 /nfs/dbraw/zinc/11/42/17/973114217.db2.gz WZCYFCKQILXWKC-UJPOAAIJSA-N 3 1 223.364 1.081 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)C[NH2+]1 ZINC001246810496 973114236 /nfs/dbraw/zinc/11/42/36/973114236.db2.gz WZCYFCKQILXWKC-UJPOAAIJSA-N 3 1 223.364 1.081 20 0 BDADMP C1CC12C[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CCN2 ZINC001246835520 973131933 /nfs/dbraw/zinc/13/19/33/973131933.db2.gz UDUHHASGRDTDRB-CYBMUJFWSA-N 2 1 249.402 1.347 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCc3ncsc3C1)C2 ZINC001246851275 973154011 /nfs/dbraw/zinc/15/40/11/973154011.db2.gz FBWJRAYDEHXMSH-NRUUGDAUSA-N 2 1 249.383 1.424 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C[C@H](C)O1 ZINC001246858654 973168767 /nfs/dbraw/zinc/16/87/67/973168767.db2.gz GNHJFQYOKFZUQV-PPCPHDFISA-N 2 1 224.348 1.366 20 0 BDADMP Cc1ccc(C[C@H](C)[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246864864 973191804 /nfs/dbraw/zinc/19/18/04/973191804.db2.gz BIDPFQCNKXRQLN-NWANDNLSSA-N 2 1 230.355 1.959 20 0 BDADMP Cc1ccc(C[C@H](C)[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001246864864 973191822 /nfs/dbraw/zinc/19/18/22/973191822.db2.gz BIDPFQCNKXRQLN-NWANDNLSSA-N 2 1 230.355 1.959 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1CCSCC1)C2 ZINC001246865292 973202690 /nfs/dbraw/zinc/20/26/90/973202690.db2.gz ZFUQINYPPRRZGC-KOLCDFICSA-N 2 1 212.362 1.305 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246930182 973578298 /nfs/dbraw/zinc/57/82/98/973578298.db2.gz IHYAETYTUINMQG-YIYPIFLZSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246930180 973581090 /nfs/dbraw/zinc/58/10/90/973581090.db2.gz IHYAETYTUINMQG-MQYQWHSLSA-N 2 1 237.391 1.058 20 0 BDADMP CC[N@H+]1CCC[C@H](OCC2CC[NH+](C)CC2)C1 ZINC001224452964 973658714 /nfs/dbraw/zinc/65/87/14/973658714.db2.gz IEXMNRSXYXNZDL-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)[NH2+]1 ZINC001246962153 973671179 /nfs/dbraw/zinc/67/11/79/973671179.db2.gz CXUFJMBTGHNERQ-XGFWRYKXSA-N 2 1 237.391 1.294 20 0 BDADMP CC[NH+]1C[C@@H]2CN([C@H]3CC[NH2+][C@H](C)C3)C[C@H]2C1 ZINC001246980690 973729608 /nfs/dbraw/zinc/72/96/08/973729608.db2.gz RQUDCGUBTPFJRG-SYQHCUMBSA-N 2 1 237.391 1.010 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246981947 973750656 /nfs/dbraw/zinc/75/06/56/973750656.db2.gz UYWWHBIPHDBKSJ-RYUDHWBXSA-N 2 1 216.369 1.717 20 0 BDADMP CC[N@H+]1CC[C@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224701892 973865319 /nfs/dbraw/zinc/86/53/19/973865319.db2.gz JBKBGANDWHEWBW-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CC[C@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224701892 973865321 /nfs/dbraw/zinc/86/53/21/973865321.db2.gz JBKBGANDWHEWBW-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CC[C@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224701892 973865327 /nfs/dbraw/zinc/86/53/27/973865327.db2.gz JBKBGANDWHEWBW-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP c1[nH+]cn2cccc(NC[C@@H]3CCCC[NH2+]3)c12 ZINC001171335658 973879677 /nfs/dbraw/zinc/87/96/77/973879677.db2.gz QBHIUCVRWPBIME-NSHDSACASA-N 2 1 230.315 1.888 20 0 BDADMP c1[nH+]c2c(cc1NC[C@H]1CCCC[NH2+]1)CCCN2 ZINC001171339963 973895246 /nfs/dbraw/zinc/89/52/46/973895246.db2.gz OPMOSULIMFZGBL-GFCCVEGCSA-N 2 1 246.358 1.281 20 0 BDADMP C[N@H+]1CCC[C@H]1COC1CC[NH+](C2CC2)CC1 ZINC001224817232 973989162 /nfs/dbraw/zinc/98/91/62/973989162.db2.gz JZKVMBNHIYSFQE-ZDUSSCGKSA-N 2 1 238.375 1.724 20 0 BDADMP C[C@@H](O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554451 974098753 /nfs/dbraw/zinc/09/87/53/974098753.db2.gz HQABXWHPJAEYAI-CHWSQXEVSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC001330169135 974136937 /nfs/dbraw/zinc/13/69/37/974136937.db2.gz UOGZZPDJRKXQOR-TVQRCGJNSA-N 2 1 240.297 1.847 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)cn1 ZINC001330199281 974157096 /nfs/dbraw/zinc/15/70/96/974157096.db2.gz TTXDZMJUVVVADE-AAEUAGOBSA-N 2 1 249.358 1.220 20 0 BDADMP COC(C)(C)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153728 974227794 /nfs/dbraw/zinc/22/77/94/974227794.db2.gz FIZATJBYKACFJX-QWRGUYRKSA-N 2 1 232.343 1.563 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153728 974227803 /nfs/dbraw/zinc/22/78/03/974227803.db2.gz FIZATJBYKACFJX-QWRGUYRKSA-N 2 1 232.343 1.563 20 0 BDADMP COC(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153730 974230719 /nfs/dbraw/zinc/23/07/19/974230719.db2.gz FIZATJBYKACFJX-WDEREUQCSA-N 2 1 232.343 1.563 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153730 974230731 /nfs/dbraw/zinc/23/07/31/974230731.db2.gz FIZATJBYKACFJX-WDEREUQCSA-N 2 1 232.343 1.563 20 0 BDADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1)C(F)(F)F ZINC001206152772 974231793 /nfs/dbraw/zinc/23/17/93/974231793.db2.gz ARVNSVNSRHGJGT-VGMNWLOBSA-N 2 1 242.260 1.946 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153954 974310350 /nfs/dbraw/zinc/31/03/50/974310350.db2.gz FOPHBUKNGGAGET-CHWFTXMASA-N 2 1 200.301 1.404 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153954 974310356 /nfs/dbraw/zinc/31/03/56/974310356.db2.gz FOPHBUKNGGAGET-CHWFTXMASA-N 2 1 200.301 1.404 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153955 974313144 /nfs/dbraw/zinc/31/31/44/974313144.db2.gz FOPHBUKNGGAGET-DBIOUOCHSA-N 2 1 200.301 1.404 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153955 974313148 /nfs/dbraw/zinc/31/31/48/974313148.db2.gz FOPHBUKNGGAGET-DBIOUOCHSA-N 2 1 200.301 1.404 20 0 BDADMP CC[N@H+](C1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125380 974352668 /nfs/dbraw/zinc/35/26/68/974352668.db2.gz PVDVWXIMARJVPS-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP CC[N@@H+](C1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125380 974352680 /nfs/dbraw/zinc/35/26/80/974352680.db2.gz PVDVWXIMARJVPS-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP CC[NH+](C1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125380 974352690 /nfs/dbraw/zinc/35/26/90/974352690.db2.gz PVDVWXIMARJVPS-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP CC[NH+](C1COC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125380 974352699 /nfs/dbraw/zinc/35/26/99/974352699.db2.gz PVDVWXIMARJVPS-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)COC1)C2 ZINC001172102690 974360094 /nfs/dbraw/zinc/36/00/94/974360094.db2.gz ODZNMQPPKPGRRM-CNDDSTCGSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)COC1)C2 ZINC001172102690 974360080 /nfs/dbraw/zinc/36/00/80/974360080.db2.gz ODZNMQPPKPGRRM-CNDDSTCGSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001172103116 974360139 /nfs/dbraw/zinc/36/01/39/974360139.db2.gz RZEWOEKBDDQEQD-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCOC1)C2 ZINC001172103116 974360150 /nfs/dbraw/zinc/36/01/50/974360150.db2.gz RZEWOEKBDDQEQD-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H]1C[NH3+])C2 ZINC001172104820 974364214 /nfs/dbraw/zinc/36/42/14/974364214.db2.gz GIVREJKUDPJGCR-CRWXNKLISA-N 2 1 237.391 1.425 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CO)CC1)C2 ZINC001172108151 974365905 /nfs/dbraw/zinc/36/59/05/974365905.db2.gz QHWPAVGVDHTAJJ-CNDDSTCGSA-N 2 1 224.348 1.116 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CO)CC1)C2 ZINC001172108151 974365911 /nfs/dbraw/zinc/36/59/11/974365911.db2.gz QHWPAVGVDHTAJJ-CNDDSTCGSA-N 2 1 224.348 1.116 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001172107940 974366448 /nfs/dbraw/zinc/36/64/48/974366448.db2.gz LZODCYMUYVRLNO-IGQOVBAYSA-N 2 1 237.391 1.425 20 0 BDADMP CCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)COC1 ZINC001172108171 974370309 /nfs/dbraw/zinc/37/03/09/974370309.db2.gz QVNDUHKMWPJDRG-CLLJXQQHSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](O)C1)C2 ZINC001172108691 974376855 /nfs/dbraw/zinc/37/68/55/974376855.db2.gz YCRQBKUJOBNRKY-WOPNUFJOSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](O)C1)C2 ZINC001172108691 974376866 /nfs/dbraw/zinc/37/68/66/974376866.db2.gz YCRQBKUJOBNRKY-WOPNUFJOSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@](C)(O)C1)C2 ZINC001172122109 974388368 /nfs/dbraw/zinc/38/83/68/974388368.db2.gz XEPMPRQGVLZRBV-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@](C)(O)C1)C2 ZINC001172122109 974388375 /nfs/dbraw/zinc/38/83/75/974388375.db2.gz XEPMPRQGVLZRBV-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@](C)(O)C1)C2 ZINC001172122109 974388381 /nfs/dbraw/zinc/38/83/81/974388381.db2.gz XEPMPRQGVLZRBV-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@](C)(O)C1)C2 ZINC001172122109 974388388 /nfs/dbraw/zinc/38/83/88/974388388.db2.gz XEPMPRQGVLZRBV-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP [NH3+]CCc1c[nH+]cn1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216743 974439094 /nfs/dbraw/zinc/43/90/94/974439094.db2.gz MHVXTWGAYISDEA-YOGCLGLASA-N 2 1 221.304 1.267 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1COC(C)(C)C1 ZINC001172271118 974487618 /nfs/dbraw/zinc/48/76/18/974487618.db2.gz RNCBVUZWXUQBAB-SNVBAGLBSA-N 2 1 223.320 1.433 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ncccc2O)CC[C@H]1F ZINC001206163488 974489440 /nfs/dbraw/zinc/48/94/40/974489440.db2.gz CNPPSPRFOBONTI-NXEZZACHSA-N 2 1 239.294 1.048 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172238683 974498045 /nfs/dbraw/zinc/49/80/45/974498045.db2.gz YSCJVDPWPIYXIF-WQGXVZNYSA-N 2 1 248.370 1.356 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172238683 974498053 /nfs/dbraw/zinc/49/80/53/974498053.db2.gz YSCJVDPWPIYXIF-WQGXVZNYSA-N 2 1 248.370 1.356 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172238683 974498067 /nfs/dbraw/zinc/49/80/67/974498067.db2.gz YSCJVDPWPIYXIF-WQGXVZNYSA-N 2 1 248.370 1.356 20 0 BDADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H]2C)CC1 ZINC001172252939 974514751 /nfs/dbraw/zinc/51/47/51/974514751.db2.gz XPTSHUOFJDEVMV-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP COCCC[NH+]1CCC([N@H+]2CC[C@H]2C)CC1 ZINC001172252939 974514756 /nfs/dbraw/zinc/51/47/56/974514756.db2.gz XPTSHUOFJDEVMV-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CC[C@@H](Oc2ccc(CC(=[NH2+])NO)cc2)C1 ZINC001225544962 974548953 /nfs/dbraw/zinc/54/89/53/974548953.db2.gz ZGZSKJFPGILSCD-GFCCVEGCSA-N 2 1 249.314 1.268 20 0 BDADMP CCOCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172410968 974676521 /nfs/dbraw/zinc/67/65/21/974676521.db2.gz MPRKSEMGIMEZJO-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001172584984 974890307 /nfs/dbraw/zinc/89/03/07/974890307.db2.gz DCHRDWMIUZPGFA-UWVGGRQHSA-N 2 1 228.336 1.045 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(C[NH3+])CC2)CC1 ZINC001172777981 974939590 /nfs/dbraw/zinc/93/95/90/974939590.db2.gz DFPKNIJTISIKBA-WDEREUQCSA-N 2 1 240.347 1.189 20 0 BDADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H]([NH3+])C1)CC2 ZINC001172825399 974949102 /nfs/dbraw/zinc/94/91/02/974949102.db2.gz GSRMXLWBIFGXHE-GJZGRUSLSA-N 2 1 230.355 1.885 20 0 BDADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H]([NH3+])C1)CC2 ZINC001172825399 974949107 /nfs/dbraw/zinc/94/91/07/974949107.db2.gz GSRMXLWBIFGXHE-GJZGRUSLSA-N 2 1 230.355 1.885 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001172919805 974967517 /nfs/dbraw/zinc/96/75/17/974967517.db2.gz XETWWWIVGIWJSN-ZJUUUORDSA-N 2 1 200.326 1.271 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001173168627 975059441 /nfs/dbraw/zinc/05/94/41/975059441.db2.gz RGZUYSPEHSGQBW-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001173275059 975156065 /nfs/dbraw/zinc/15/60/65/975156065.db2.gz LHACSQGTQWETAJ-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP CC[N@H+]1CC[C@H](n2c3ccccc3nc2C[NH3+])C1 ZINC001173348876 975291353 /nfs/dbraw/zinc/29/13/53/975291353.db2.gz UWAWXGKSAABSRX-NSHDSACASA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001173352646 975298431 /nfs/dbraw/zinc/29/84/31/975298431.db2.gz SYABDVMDCZQDOY-CYBMUJFWSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001173362969 975335817 /nfs/dbraw/zinc/33/58/17/975335817.db2.gz KLSBEZLUVPXINK-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001173365384 975347249 /nfs/dbraw/zinc/34/72/49/975347249.db2.gz HBNXIGZQWGJPPF-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)C1 ZINC001173366728 975350396 /nfs/dbraw/zinc/35/03/96/975350396.db2.gz BJNDDSFNIKZKRU-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@@H+]1CC[C@H](N2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001173366728 975350403 /nfs/dbraw/zinc/35/04/03/975350403.db2.gz BJNDDSFNIKZKRU-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001173366728 975350412 /nfs/dbraw/zinc/35/04/12/975350412.db2.gz BJNDDSFNIKZKRU-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C1 ZINC001173366728 975350417 /nfs/dbraw/zinc/35/04/17/975350417.db2.gz BJNDDSFNIKZKRU-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@H]3[C@H](C2)CCC[N@H+]3C)C1 ZINC001173366728 975350426 /nfs/dbraw/zinc/35/04/26/975350426.db2.gz BJNDDSFNIKZKRU-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@H]([NH+](C)C(C)C)C2)C1 ZINC001173366585 975351685 /nfs/dbraw/zinc/35/16/85/975351685.db2.gz ARZVHZAHHIVACX-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@H]([N@H+](C)C(C)C)C2)C1 ZINC001173366585 975351691 /nfs/dbraw/zinc/35/16/91/975351691.db2.gz ARZVHZAHHIVACX-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@H]([N@@H+](C)C(C)C)C2)C1 ZINC001173366585 975351697 /nfs/dbraw/zinc/35/16/97/975351697.db2.gz ARZVHZAHHIVACX-UONOGXRCSA-N 2 1 239.407 1.495 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC001333528897 975831817 /nfs/dbraw/zinc/83/18/17/975831817.db2.gz IJPFJOAOXPKNNF-QMVSFRDZSA-N 2 1 238.375 1.349 20 0 BDADMP c1[nH+]c2ccccn2c1Nc1cc[nH+]cc1 ZINC001173882588 975930602 /nfs/dbraw/zinc/93/06/02/975930602.db2.gz ZSPSQWKJTPBBQC-UHFFFAOYSA-N 2 1 210.240 1.895 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC001334742035 976611424 /nfs/dbraw/zinc/61/14/24/976611424.db2.gz GHCYUSCQEOLEOZ-QWHCGFSZSA-N 2 1 236.363 1.393 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC001334742034 976611886 /nfs/dbraw/zinc/61/18/86/976611886.db2.gz GHCYUSCQEOLEOZ-OLZOCXBDSA-N 2 1 236.363 1.393 20 0 BDADMP C[NH+](C)Cc1ccccc1O[C@@H]1CC[N@@H+](C)C1 ZINC001229700089 976948542 /nfs/dbraw/zinc/94/85/42/976948542.db2.gz VTINNBTVBGVRBN-CYBMUJFWSA-N 2 1 234.343 1.831 20 0 BDADMP Nc1ccc(NC[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000260264029 977355642 /nfs/dbraw/zinc/35/56/42/977355642.db2.gz XDIQTLIMNVHGQI-VIFPVBQESA-N 2 1 206.293 1.218 20 0 BDADMP CC[NH+]1CCC(Oc2[nH+][nH]cc3nncc2-3)CC1 ZINC001230894533 977361402 /nfs/dbraw/zinc/36/14/02/977361402.db2.gz ALNFDNAZATTXML-UHFFFAOYSA-N 2 1 247.302 1.216 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCn3ccnc3)C[C@H]2CC1 ZINC001277544673 977651642 /nfs/dbraw/zinc/65/16/42/977651642.db2.gz NJJLXAFRTOEHOM-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCn3ccnc3)C[C@H]2CC1 ZINC001277544673 977651646 /nfs/dbraw/zinc/65/16/46/977651646.db2.gz NJJLXAFRTOEHOM-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@H]2CC1 ZINC001277544673 977651651 /nfs/dbraw/zinc/65/16/51/977651651.db2.gz NJJLXAFRTOEHOM-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNc1nccnc1C[NH3+] ZINC001336504968 977731299 /nfs/dbraw/zinc/73/12/99/977731299.db2.gz FGHNTMVFCROXHB-SNVBAGLBSA-N 2 1 237.351 1.078 20 0 BDADMP CC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CN(C)C1 ZINC001232017717 977842756 /nfs/dbraw/zinc/84/27/56/977842756.db2.gz VIXSKZRDLXQYBC-UHFFFAOYSA-N 2 1 244.342 1.699 20 0 BDADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)on1 ZINC001277606495 977876364 /nfs/dbraw/zinc/87/63/64/977876364.db2.gz XKKPJRRVRGWIMV-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP CSC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001336838389 977998051 /nfs/dbraw/zinc/99/80/51/977998051.db2.gz CSNWBLCIGWGFBL-OUAUKWLOSA-N 2 1 246.420 1.029 20 0 BDADMP Cc1nccc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)n1 ZINC001336874862 978018600 /nfs/dbraw/zinc/01/86/00/978018600.db2.gz YXPUVGNBMMTPEX-IJLUTSLNSA-N 2 1 232.331 1.537 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](OCC[NH+](C)C)C1 ZINC001206277554 978129221 /nfs/dbraw/zinc/12/92/21/978129221.db2.gz BCROTPDZVSKGPY-LBPRGKRZSA-N 2 1 214.353 1.437 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@H](C)C[NH+]2CCCC2)C1 ZINC000328331389 978294347 /nfs/dbraw/zinc/29/43/47/978294347.db2.gz HQGJAJUYYXNUCC-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H](C)C[NH+]2CCCC2)C1 ZINC000328331389 978294359 /nfs/dbraw/zinc/29/43/59/978294359.db2.gz HQGJAJUYYXNUCC-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OCCC[NH+](C)C)C1 ZINC001206296092 978300112 /nfs/dbraw/zinc/30/01/12/978300112.db2.gz JWGOUOFEQOXBAC-LBPRGKRZSA-N 2 1 214.353 1.437 20 0 BDADMP CN(C[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1 ZINC001337707795 978466440 /nfs/dbraw/zinc/46/64/40/978466440.db2.gz RMZQGGOCAVSSNI-LBPRGKRZSA-N 2 1 205.305 1.612 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206310784 978483299 /nfs/dbraw/zinc/48/32/99/978483299.db2.gz CGOKCYVWDAJNIK-CYBMUJFWSA-N 2 1 237.347 1.934 20 0 BDADMP CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277806605 978693519 /nfs/dbraw/zinc/69/35/19/978693519.db2.gz GNKXHVFKUXDFMI-MCIONIFRSA-N 2 1 239.407 1.495 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(O)c3)[C@@H]2C1 ZINC001179816015 978758862 /nfs/dbraw/zinc/75/88/62/978758862.db2.gz JSVVRHCYRMYPEX-CFVMTHIKSA-N 2 1 246.354 1.822 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(O)c3)[C@@H]2C1 ZINC001179816015 978758866 /nfs/dbraw/zinc/75/88/66/978758866.db2.gz JSVVRHCYRMYPEX-CFVMTHIKSA-N 2 1 246.354 1.822 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000069860939 978766284 /nfs/dbraw/zinc/76/62/84/978766284.db2.gz IIVUJKWTLRGDEG-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP CCOCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277856360 978833718 /nfs/dbraw/zinc/83/37/18/978833718.db2.gz NPIIXWXPASXIOB-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001277856360 978833720 /nfs/dbraw/zinc/83/37/20/978833720.db2.gz NPIIXWXPASXIOB-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277856360 978833724 /nfs/dbraw/zinc/83/37/24/978833724.db2.gz NPIIXWXPASXIOB-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1CCNc1cc[nH+]c(N)n1 ZINC001339577683 978873120 /nfs/dbraw/zinc/87/31/20/978873120.db2.gz GVXXWBAMTKIUHU-NSHDSACASA-N 2 1 249.362 1.735 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCNc1cc[nH+]c(N)n1 ZINC001339577683 978873124 /nfs/dbraw/zinc/87/31/24/978873124.db2.gz GVXXWBAMTKIUHU-NSHDSACASA-N 2 1 249.362 1.735 20 0 BDADMP CCC(CC)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234981886 978942660 /nfs/dbraw/zinc/94/26/60/978942660.db2.gz PNVNYOCABKOIFM-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP OCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038328 978958557 /nfs/dbraw/zinc/95/85/57/978958557.db2.gz GSCRDDPBJBKFES-AWEZNQCLSA-N 2 1 240.391 1.757 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036596 978959173 /nfs/dbraw/zinc/95/91/73/978959173.db2.gz AJKFTYXYGASAIV-MQLXINIDSA-N 2 1 218.344 1.635 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036596 978959184 /nfs/dbraw/zinc/95/91/84/978959184.db2.gz AJKFTYXYGASAIV-MQLXINIDSA-N 2 1 218.344 1.635 20 0 BDADMP CC1(C[N@H+]2CCC[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001235112217 978976417 /nfs/dbraw/zinc/97/64/17/978976417.db2.gz YXJCUSGQZCRYBF-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP CC1(CN2CCC[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001235112217 978976422 /nfs/dbraw/zinc/97/64/22/978976422.db2.gz YXJCUSGQZCRYBF-CQSZACIVSA-N 2 1 237.391 1.204 20 0 BDADMP CC[C@H](N)C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154964 978984461 /nfs/dbraw/zinc/98/44/61/978984461.db2.gz XJOIUQZFTXEJOX-KBPBESRZSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH3+])CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154964 978984464 /nfs/dbraw/zinc/98/44/64/978984464.db2.gz XJOIUQZFTXEJOX-KBPBESRZSA-N 2 1 239.407 1.578 20 0 BDADMP C(C1C[NH2+]C1)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230289 979000608 /nfs/dbraw/zinc/00/06/08/979000608.db2.gz ABXHJHUFBNAGSI-CQSZACIVSA-N 2 1 237.391 1.060 20 0 BDADMP c1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)n[nH]1 ZINC001235232618 979001289 /nfs/dbraw/zinc/00/12/89/979001289.db2.gz KKFDSKRWTKZGJW-AWEZNQCLSA-N 2 1 248.374 1.764 20 0 BDADMP CC[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234499 979002345 /nfs/dbraw/zinc/00/23/45/979002345.db2.gz YWTZWPAPNPPJLH-KGLIPLIRSA-N 3 1 239.407 1.578 20 0 BDADMP [NH3+]C1([C@H]2C[N@@H+](CCCCCO)C[C@@H]2CF)CC1 ZINC001235398394 979036192 /nfs/dbraw/zinc/03/61/92/979036192.db2.gz VIISTFYDAOVAGE-RYUDHWBXSA-N 2 1 244.354 1.158 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001235705327 979129181 /nfs/dbraw/zinc/12/91/81/979129181.db2.gz KJQJMNVPKHXYDA-LBPRGKRZSA-N 2 1 219.332 1.610 20 0 BDADMP [NH3+]CCCC[NH+]1CC(Oc2ccccc2)C1 ZINC001235706207 979131451 /nfs/dbraw/zinc/13/14/51/979131451.db2.gz SUXCNLYRWIBQNU-UHFFFAOYSA-N 2 1 220.316 1.489 20 0 BDADMP [NH3+]CCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001235719484 979132916 /nfs/dbraw/zinc/13/29/16/979132916.db2.gz VDZAQBCERZKYIC-CQSZACIVSA-N 2 1 234.343 1.799 20 0 BDADMP CC[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001235723596 979135626 /nfs/dbraw/zinc/13/56/26/979135626.db2.gz HBBJKXWYNPNCGK-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001235723596 979135634 /nfs/dbraw/zinc/13/56/34/979135634.db2.gz HBBJKXWYNPNCGK-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCCC1 ZINC001235718791 979136264 /nfs/dbraw/zinc/13/62/64/979136264.db2.gz NTDFGVRDHQUBQW-NSHDSACASA-N 2 1 212.337 1.585 20 0 BDADMP C[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCCC1 ZINC001235718791 979136267 /nfs/dbraw/zinc/13/62/67/979136267.db2.gz NTDFGVRDHQUBQW-NSHDSACASA-N 2 1 212.337 1.585 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001235815604 979159696 /nfs/dbraw/zinc/15/96/96/979159696.db2.gz MNMHUKBKTHXXSC-UHFFFAOYSA-N 2 1 240.738 1.227 20 0 BDADMP CC1(C)C[N@@H+](CCCCCC[NH3+])CCN1 ZINC001235833848 979163163 /nfs/dbraw/zinc/16/31/63/979163163.db2.gz SMKLSJXKAAHWTI-UHFFFAOYSA-N 2 1 213.369 1.189 20 0 BDADMP CC1(C)CN(CCCCCC[NH3+])CC[NH2+]1 ZINC001235833848 979163166 /nfs/dbraw/zinc/16/31/66/979163166.db2.gz SMKLSJXKAAHWTI-UHFFFAOYSA-N 2 1 213.369 1.189 20 0 BDADMP CC(C)C[C@H]1C[N@H+](CCCCC[NH3+])CCN1 ZINC001235877934 979176355 /nfs/dbraw/zinc/17/63/55/979176355.db2.gz FESOSYSIAUQHMJ-ZDUSSCGKSA-N 2 1 227.396 1.435 20 0 BDADMP CC(C)C[C@H]1C[N@@H+](CCCCC[NH3+])CCN1 ZINC001235877934 979176363 /nfs/dbraw/zinc/17/63/63/979176363.db2.gz FESOSYSIAUQHMJ-ZDUSSCGKSA-N 2 1 227.396 1.435 20 0 BDADMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC001235892323 979184299 /nfs/dbraw/zinc/18/42/99/979184299.db2.gz PEYLVBHQGUNHCF-WCQYABFASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@@H]([NH3+])CN1CCC1CC[NH2+]CC1 ZINC001235892323 979184305 /nfs/dbraw/zinc/18/43/05/979184305.db2.gz PEYLVBHQGUNHCF-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@@H](N)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235892323 979184307 /nfs/dbraw/zinc/18/43/07/979184307.db2.gz PEYLVBHQGUNHCF-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@@H](N)C[N@H+]1CCC1CC[NH2+]CC1 ZINC001235892323 979184312 /nfs/dbraw/zinc/18/43/12/979184312.db2.gz PEYLVBHQGUNHCF-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979612 979247217 /nfs/dbraw/zinc/24/72/17/979247217.db2.gz NSAATXPBAFLOMY-KBPBESRZSA-N 3 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(CN2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979612 979247224 /nfs/dbraw/zinc/24/72/24/979247224.db2.gz NSAATXPBAFLOMY-KBPBESRZSA-N 2 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001235979612 979247233 /nfs/dbraw/zinc/24/72/33/979247233.db2.gz NSAATXPBAFLOMY-KBPBESRZSA-N 2 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CC[C@]3(N)C2)CC1 ZINC001235979612 979247239 /nfs/dbraw/zinc/24/72/39/979247239.db2.gz NSAATXPBAFLOMY-KBPBESRZSA-N 2 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979615 979248161 /nfs/dbraw/zinc/24/81/61/979248161.db2.gz NSAATXPBAFLOMY-ZIAGYGMSSA-N 3 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(CN2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979615 979248169 /nfs/dbraw/zinc/24/81/69/979248169.db2.gz NSAATXPBAFLOMY-ZIAGYGMSSA-N 2 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001235979615 979248180 /nfs/dbraw/zinc/24/81/80/979248180.db2.gz NSAATXPBAFLOMY-ZIAGYGMSSA-N 2 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@@]3(N)C2)CC1 ZINC001235979615 979248184 /nfs/dbraw/zinc/24/81/84/979248184.db2.gz NSAATXPBAFLOMY-ZIAGYGMSSA-N 2 1 237.391 1.141 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980587 979250782 /nfs/dbraw/zinc/25/07/82/979250782.db2.gz QUOGYAXOUXZQST-HIFRSBDPSA-N 3 1 249.402 1.189 20 0 BDADMP N[C@]12CC[C@@H]1C[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980587 979250791 /nfs/dbraw/zinc/25/07/91/979250791.db2.gz QUOGYAXOUXZQST-HIFRSBDPSA-N 2 1 249.402 1.189 20 0 BDADMP N[C@]12CC[C@@H]1C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980587 979250803 /nfs/dbraw/zinc/25/08/03/979250803.db2.gz QUOGYAXOUXZQST-HIFRSBDPSA-N 2 1 249.402 1.189 20 0 BDADMP [NH3+][C@]12CC[C@@H]1CN(CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001235980587 979250814 /nfs/dbraw/zinc/25/08/14/979250814.db2.gz QUOGYAXOUXZQST-HIFRSBDPSA-N 2 1 249.402 1.189 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235980004 979254408 /nfs/dbraw/zinc/25/44/08/979254408.db2.gz PNOZZCGBCVJBNT-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP Nc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235992213 979281149 /nfs/dbraw/zinc/28/11/49/979281149.db2.gz QXSBKYDEXPAYMR-WCQYABFASA-N 2 1 217.316 1.192 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235992213 979281158 /nfs/dbraw/zinc/28/11/58/979281158.db2.gz QXSBKYDEXPAYMR-WCQYABFASA-N 2 1 217.316 1.192 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235994342 979285564 /nfs/dbraw/zinc/28/55/64/979285564.db2.gz VEOAPDJFFVWWHM-YIONKMFJSA-N 2 1 246.354 1.401 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001236043927 979332696 /nfs/dbraw/zinc/33/26/96/979332696.db2.gz GGUATBGBFSUROS-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CN(CCC2CC[NH2+]CC2)C1 ZINC001236043927 979332709 /nfs/dbraw/zinc/33/27/09/979332709.db2.gz GGUATBGBFSUROS-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[N@@H+](C1CC1)C1CC[NH+](CCCC[NH3+])CC1 ZINC001236094450 979382252 /nfs/dbraw/zinc/38/22/52/979382252.db2.gz UUADDNBVGUWYJA-UHFFFAOYSA-N 2 1 225.380 1.284 20 0 BDADMP C[N@H+](C1CC1)C1CCN(CCCC[NH3+])CC1 ZINC001236094450 979382261 /nfs/dbraw/zinc/38/22/61/979382261.db2.gz UUADDNBVGUWYJA-UHFFFAOYSA-N 2 1 225.380 1.284 20 0 BDADMP C[N@@H+](C1CC1)C1CCN(CCCC[NH3+])CC1 ZINC001236094450 979382270 /nfs/dbraw/zinc/38/22/70/979382270.db2.gz UUADDNBVGUWYJA-UHFFFAOYSA-N 2 1 225.380 1.284 20 0 BDADMP CC1(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001236093939 979385685 /nfs/dbraw/zinc/38/56/85/979385685.db2.gz QAPRHJBCYGIFTK-BETUJISGSA-N 2 1 237.391 1.202 20 0 BDADMP CC1(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001236093939 979385686 /nfs/dbraw/zinc/38/56/86/979385686.db2.gz QAPRHJBCYGIFTK-BETUJISGSA-N 2 1 237.391 1.202 20 0 BDADMP CN(Cc1c[nH]c2cc[nH+]cc12)C[C@@H]1CCC[NH2+]1 ZINC001236120198 979397491 /nfs/dbraw/zinc/39/74/91/979397491.db2.gz OPXOROYDKVACFP-LBPRGKRZSA-N 2 1 244.342 1.747 20 0 BDADMP CN(CCCCCC[NH3+])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236211429 979448597 /nfs/dbraw/zinc/44/85/97/979448597.db2.gz HZGDQGGDRATNHY-QWHCGFSZSA-N 2 1 227.396 1.707 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCCC[C@@H]1N ZINC001236211429 979448594 /nfs/dbraw/zinc/44/85/94/979448594.db2.gz HZGDQGGDRATNHY-QWHCGFSZSA-N 2 1 227.396 1.707 20 0 BDADMP COc1cccc(C[C@@H]2CCC[N@H+](CCN)C2)c1 ZINC001236304580 979507487 /nfs/dbraw/zinc/50/74/87/979507487.db2.gz LBWYLPCVOOSAIR-AWEZNQCLSA-N 2 1 248.370 1.908 20 0 BDADMP COc1cccc(C[C@@H]2CCC[N@@H+](CCN)C2)c1 ZINC001236304580 979507495 /nfs/dbraw/zinc/50/74/95/979507495.db2.gz LBWYLPCVOOSAIR-AWEZNQCLSA-N 2 1 248.370 1.908 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314738 979522946 /nfs/dbraw/zinc/52/29/46/979522946.db2.gz GHBHHMNYKNIDFE-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP FC(F)(F)CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313964 979525191 /nfs/dbraw/zinc/52/51/91/979525191.db2.gz BYLUFUASTHUVEI-AOOOYVTPSA-N 2 1 236.281 1.870 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236317134 979530163 /nfs/dbraw/zinc/53/01/63/979530163.db2.gz UFIIQFIIGGMQTE-BETUJISGSA-N 2 1 233.359 1.755 20 0 BDADMP c1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236320642 979531354 /nfs/dbraw/zinc/53/13/54/979531354.db2.gz SJABOEVZOZAPCU-PHIMTYICSA-N 2 1 221.304 1.106 20 0 BDADMP Cc1ncncc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320335 979534075 /nfs/dbraw/zinc/53/40/75/979534075.db2.gz FJGGQWJYGGERJQ-BETUJISGSA-N 2 1 246.358 1.216 20 0 BDADMP Cc1nccnc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319393 979534521 /nfs/dbraw/zinc/53/45/21/979534521.db2.gz AICFAKBYTVLWBE-BETUJISGSA-N 2 1 246.358 1.216 20 0 BDADMP CCC[N@@H+](CCCO)CCC[NH+](C)C ZINC001236322866 979535846 /nfs/dbraw/zinc/53/58/46/979535846.db2.gz UQICKIYVALFNSK-UHFFFAOYSA-N 2 1 202.342 1.033 20 0 BDADMP [NH3+]CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001236442195 979600614 /nfs/dbraw/zinc/60/06/14/979600614.db2.gz ZVCKNMUGMSJLDI-GJZGRUSLSA-N 2 1 245.370 1.151 20 0 BDADMP CC(C)C[N@@H+](C[C@H](C)N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552681 979633428 /nfs/dbraw/zinc/63/34/28/979633428.db2.gz ZHQOBRYOBFRJOO-AVGNSLFASA-N 2 1 227.396 1.562 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCO)CC2CC2)CC1 ZINC001236550048 979633644 /nfs/dbraw/zinc/63/36/44/979633644.db2.gz BYVAQERQFJRAFC-JOCQHMNTSA-N 2 1 226.364 1.351 20 0 BDADMP [NH3+]CCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584512 979666637 /nfs/dbraw/zinc/66/66/37/979666637.db2.gz GCWMSLNJXKXQBB-GFCCVEGCSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001206549267 979678085 /nfs/dbraw/zinc/67/80/85/979678085.db2.gz LJRIMFDWJTWCMM-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC001236666097 979688550 /nfs/dbraw/zinc/68/85/50/979688550.db2.gz XXBPMTZGUJHYEW-VXGBXAGGSA-N 2 1 235.331 1.190 20 0 BDADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C[C@H](C)[NH3+])C1 ZINC001236666095 979688884 /nfs/dbraw/zinc/68/88/84/979688884.db2.gz XXBPMTZGUJHYEW-NWDGAFQWSA-N 2 1 235.331 1.190 20 0 BDADMP Cn1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206548223 979688979 /nfs/dbraw/zinc/68/89/79/979688979.db2.gz IDKDMVVYOAZSJX-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCO)Cc2ccccc2)CC1 ZINC001236682289 979694582 /nfs/dbraw/zinc/69/45/82/979694582.db2.gz RVANIYNLJZONFR-SHTZXODSSA-N 2 1 248.370 1.751 20 0 BDADMP CCC(CC)[N@@H+](CCN)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782277 979722123 /nfs/dbraw/zinc/72/21/23/979722123.db2.gz IAGRZFYOJZPRGA-AULYBMBSSA-N 2 1 227.396 1.706 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCC[NH2+]3)C[C@@H]12 ZINC001236821647 979747350 /nfs/dbraw/zinc/74/73/50/979747350.db2.gz WARWIKMLZKFUFV-XJFOESAGSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2CN(CC[C@@H]3CCCC[NH2+]3)C[C@@H]12 ZINC001236821647 979747360 /nfs/dbraw/zinc/74/73/60/979747360.db2.gz WARWIKMLZKFUFV-XJFOESAGSA-N 2 1 237.391 1.188 20 0 BDADMP CCCC[NH+]1CCC([N@@H+](C)CCCC[NH3+])CC1 ZINC001236848321 979757172 /nfs/dbraw/zinc/75/71/72/979757172.db2.gz PHXOIZYAJAGZMX-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP CCCCN1CCC([N@H+](C)CCCC[NH3+])CC1 ZINC001236848321 979757186 /nfs/dbraw/zinc/75/71/86/979757186.db2.gz PHXOIZYAJAGZMX-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP CCCCN1CCC([N@@H+](C)CCCC[NH3+])CC1 ZINC001236848321 979757202 /nfs/dbraw/zinc/75/72/02/979757202.db2.gz PHXOIZYAJAGZMX-UHFFFAOYSA-N 2 1 241.423 1.922 20 0 BDADMP CCOC(=O)CCCCCC[N@@H+](C)C[C@H](C)[NH3+] ZINC001236885785 979781696 /nfs/dbraw/zinc/78/16/96/979781696.db2.gz RQVZCMZCCZVRNZ-LBPRGKRZSA-N 2 1 244.379 1.779 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC001237222696 979851608 /nfs/dbraw/zinc/85/16/08/979851608.db2.gz GPYCOTXFIDALNM-OKILXGFUSA-N 2 1 245.370 1.652 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC001237222696 979851614 /nfs/dbraw/zinc/85/16/14/979851614.db2.gz GPYCOTXFIDALNM-OKILXGFUSA-N 2 1 245.370 1.652 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC001237222696 979851617 /nfs/dbraw/zinc/85/16/17/979851617.db2.gz GPYCOTXFIDALNM-OKILXGFUSA-N 2 1 245.370 1.652 20 0 BDADMP [NH3+]C12CC(CC[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)(C1)C2 ZINC001237375209 979877887 /nfs/dbraw/zinc/87/78/87/979877887.db2.gz LLPQJHRUFKJMAP-DNDYEEKYSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+]C12CC(CC[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)(C1)C2 ZINC001237375209 979877891 /nfs/dbraw/zinc/87/78/91/979877891.db2.gz LLPQJHRUFKJMAP-DNDYEEKYSA-N 3 1 249.402 1.332 20 0 BDADMP O=c1[nH]cccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380024 979879050 /nfs/dbraw/zinc/87/90/50/979879050.db2.gz DXUQFHAINTXCJC-DGCLKSJQSA-N 2 1 247.342 1.361 20 0 BDADMP CC(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001184387966 980057730 /nfs/dbraw/zinc/05/77/30/980057730.db2.gz OCCXOEJXKHLHGN-JHJVBQTASA-N 2 1 210.365 1.962 20 0 BDADMP OCC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238106492 980154516 /nfs/dbraw/zinc/15/45/16/980154516.db2.gz JVGVURXTYJMTQU-UHFFFAOYSA-N 2 1 245.326 1.539 20 0 BDADMP O[C@@H]1CCC[N@@H+](Cc2cccc3cncn32)C1 ZINC001238104665 980155455 /nfs/dbraw/zinc/15/54/55/980155455.db2.gz YNBQMXNWAOARCW-CYBMUJFWSA-N 2 1 231.299 1.291 20 0 BDADMP O[C@@H]1CCCN(Cc2cccc3c[nH+]cn32)C1 ZINC001238104665 980155460 /nfs/dbraw/zinc/15/54/60/980155460.db2.gz YNBQMXNWAOARCW-CYBMUJFWSA-N 2 1 231.299 1.291 20 0 BDADMP C[C@]1(CO)CC[N@@H+](Cc2cccc3cncn32)C1 ZINC001238104679 980157236 /nfs/dbraw/zinc/15/72/36/980157236.db2.gz YRBSNPKFRCSMTA-AWEZNQCLSA-N 2 1 245.326 1.539 20 0 BDADMP C[C@]1(CO)CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104679 980157243 /nfs/dbraw/zinc/15/72/43/980157243.db2.gz YRBSNPKFRCSMTA-AWEZNQCLSA-N 2 1 245.326 1.539 20 0 BDADMP CC[N@@H+](CCC(N)=O)Cc1cccc2c[nH+]cn21 ZINC001238114863 980163113 /nfs/dbraw/zinc/16/31/13/980163113.db2.gz XYZVPGCMJNMELS-UHFFFAOYSA-N 2 1 246.314 1.032 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238119675 980167879 /nfs/dbraw/zinc/16/78/79/980167879.db2.gz PURKOVLQXYCIFM-FZMZJTMJSA-N 2 1 245.326 1.680 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238119675 980167884 /nfs/dbraw/zinc/16/78/84/980167884.db2.gz PURKOVLQXYCIFM-FZMZJTMJSA-N 2 1 245.326 1.680 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3CCC2CC3)CCO1 ZINC000691663124 980381840 /nfs/dbraw/zinc/38/18/40/980381840.db2.gz RIIALDLFJSOIDT-NWINJMCUSA-N 2 1 238.375 1.472 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC3CCC2CC3)CCO1 ZINC000691663124 980381848 /nfs/dbraw/zinc/38/18/48/980381848.db2.gz RIIALDLFJSOIDT-NWINJMCUSA-N 2 1 238.375 1.472 20 0 BDADMP c1nocc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001239186058 980491391 /nfs/dbraw/zinc/49/13/91/980491391.db2.gz HLQVCDIUYKMAKO-UHFFFAOYSA-N 2 1 230.271 1.146 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC001345411217 980609887 /nfs/dbraw/zinc/60/98/87/980609887.db2.gz KLJWPUJSTGDDKU-NWINJMCUSA-N 2 1 240.391 1.752 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccccn1 ZINC001345481559 980617734 /nfs/dbraw/zinc/61/77/34/980617734.db2.gz CXRRMHALUIBXAV-WDEREUQCSA-N 2 1 207.321 1.730 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)[C@H](C)O)C1 ZINC001191257053 981002183 /nfs/dbraw/zinc/00/21/83/981002183.db2.gz IPJLDPNEALYHEZ-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602413 981165609 /nfs/dbraw/zinc/16/56/09/981165609.db2.gz IWQZNPYRBHTPAE-NDBYEHHHSA-N 2 1 210.365 1.949 20 0 BDADMP CC[C@H](N)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205604859 981181469 /nfs/dbraw/zinc/18/14/69/981181469.db2.gz YHLOYQBVWGRLNF-TUAOUCFPSA-N 2 1 213.369 1.031 20 0 BDADMP CC[C@H]([NH3+])CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205604859 981181473 /nfs/dbraw/zinc/18/14/73/981181473.db2.gz YHLOYQBVWGRLNF-TUAOUCFPSA-N 2 1 213.369 1.031 20 0 BDADMP CC/C=C\CC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205662806 981741063 /nfs/dbraw/zinc/74/10/63/981741063.db2.gz DTMJYEUDXPJFNK-SCOBNMCVSA-N 2 1 226.364 1.518 20 0 BDADMP C[N@@H+]1CC=C(c2ccc(OC3C[NH2+]C3)cn2)CC1 ZINC001241331881 982496602 /nfs/dbraw/zinc/49/66/02/982496602.db2.gz BVIJIURDHDWPNA-UHFFFAOYSA-N 2 1 245.326 1.151 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802553 982537672 /nfs/dbraw/zinc/53/76/72/982537672.db2.gz BXCWXSDPMRWXLM-CMPLNLGQSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802553 982537678 /nfs/dbraw/zinc/53/76/78/982537678.db2.gz BXCWXSDPMRWXLM-CMPLNLGQSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802553 982537684 /nfs/dbraw/zinc/53/76/84/982537684.db2.gz BXCWXSDPMRWXLM-CMPLNLGQSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802553 982537689 /nfs/dbraw/zinc/53/76/89/982537689.db2.gz BXCWXSDPMRWXLM-CMPLNLGQSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001205806357 982570067 /nfs/dbraw/zinc/57/00/67/982570067.db2.gz UDKXXAMJJSQPTC-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N(CC2CC[NH2+]CC2)C1 ZINC001205806357 982570073 /nfs/dbraw/zinc/57/00/73/982570073.db2.gz UDKXXAMJJSQPTC-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP C[NH+]1CCc2ncnc(C3=CCC[N@H+](C)C3)c2C1 ZINC001241569113 982815329 /nfs/dbraw/zinc/81/53/29/982815329.db2.gz RAAXUOBFRQGCOA-UHFFFAOYSA-N 2 1 244.342 1.183 20 0 BDADMP C[NH+]1CCC=C(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001241569113 982815332 /nfs/dbraw/zinc/81/53/32/982815332.db2.gz RAAXUOBFRQGCOA-UHFFFAOYSA-N 2 1 244.342 1.183 20 0 BDADMP C[NH+]1CCC=C(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001241569113 982815333 /nfs/dbraw/zinc/81/53/33/982815333.db2.gz RAAXUOBFRQGCOA-UHFFFAOYSA-N 2 1 244.342 1.183 20 0 BDADMP c1cc2c(cc[nH+]c2-c2cnn(C3C[NH2+]C3)c2)[nH]1 ZINC001241589488 982835519 /nfs/dbraw/zinc/83/55/19/982835519.db2.gz KLVJOFGCYDTFLU-UHFFFAOYSA-N 2 1 239.282 1.571 20 0 BDADMP C([NH2+]C1CCSCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408396 982940819 /nfs/dbraw/zinc/94/08/19/982940819.db2.gz OCQLWBVJKRLYBN-LLVKDONJSA-N 2 1 240.416 1.956 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205903640 983125733 /nfs/dbraw/zinc/12/57/33/983125733.db2.gz QMVFWKDEIPAITK-IUODEOHRSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205903639 983126410 /nfs/dbraw/zinc/12/64/10/983126410.db2.gz QMVFWKDEIPAITK-DOMZBBRYSA-N 3 1 247.386 1.705 20 0 BDADMP CC(C)C[C@@H](CNc1cc[nH+]c(N)n1)[NH+](C)C ZINC001354072637 983140872 /nfs/dbraw/zinc/14/08/72/983140872.db2.gz XZNYYNLRDDIVLT-JTQLQIEISA-N 2 1 237.351 1.447 20 0 BDADMP CC[N@H+](CCNc1cc[nH+]c(N)n1)C(C)C ZINC001354102491 983155439 /nfs/dbraw/zinc/15/54/39/983155439.db2.gz SAQZCKIZSCRDJF-UHFFFAOYSA-N 2 1 223.324 1.201 20 0 BDADMP CC[N@@H+](CCNc1cc[nH+]c(N)n1)C(C)C ZINC001354102491 983155444 /nfs/dbraw/zinc/15/54/44/983155444.db2.gz SAQZCKIZSCRDJF-UHFFFAOYSA-N 2 1 223.324 1.201 20 0 BDADMP Nc1ccc(Nc2ccnc(CO)c2)cn1 ZINC001201278159 983176289 /nfs/dbraw/zinc/17/62/89/983176289.db2.gz CUCURPICZPWVOR-UHFFFAOYSA-N 2 1 216.244 1.295 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC001354393915 983296949 /nfs/dbraw/zinc/29/69/49/983296949.db2.gz DCBQEIRGAURPRI-HBNTYKKESA-N 2 1 247.346 1.119 20 0 BDADMP [NH3+]CCCCCCN1CCCC[C@H]([NH3+])C1 ZINC001205923553 983352813 /nfs/dbraw/zinc/35/28/13/983352813.db2.gz PDHZIVLVHLIUAB-LBPRGKRZSA-N 2 1 213.369 1.319 20 0 BDADMP N[C@H]1CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001205923553 983352806 /nfs/dbraw/zinc/35/28/06/983352806.db2.gz PDHZIVLVHLIUAB-LBPRGKRZSA-N 2 1 213.369 1.319 20 0 BDADMP CC[N@@H+](CCCC[NH3+])CCCC(=O)OC ZINC001205925031 983401768 /nfs/dbraw/zinc/40/17/68/983401768.db2.gz VGDHSRCHOIRYSX-UHFFFAOYSA-N 2 1 216.325 1.000 20 0 BDADMP CCCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001252106776 983651018 /nfs/dbraw/zinc/65/10/18/983651018.db2.gz BDHTXRHBWHAVGO-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCCC2CCCC2)C[C@H]1O ZINC001205947255 983663611 /nfs/dbraw/zinc/66/36/11/983663611.db2.gz ZUEDITXYHYGHCD-CHWSQXEVSA-N 2 1 226.364 1.351 20 0 BDADMP CCCC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001252107107 983666460 /nfs/dbraw/zinc/66/64/60/983666460.db2.gz DXTYARPXYQBCBQ-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001202530995 983876449 /nfs/dbraw/zinc/87/64/49/983876449.db2.gz YGJHOUIBSANXSD-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001202530995 983876453 /nfs/dbraw/zinc/87/64/53/983876453.db2.gz YGJHOUIBSANXSD-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001202530995 983876454 /nfs/dbraw/zinc/87/64/54/983876454.db2.gz YGJHOUIBSANXSD-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@]12CCOC2 ZINC001574799676 984118711 /nfs/dbraw/zinc/11/87/11/984118711.db2.gz FHXHCMHTUDSGER-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H](CCCO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575952540 984136370 /nfs/dbraw/zinc/13/63/70/984136370.db2.gz FKOLFVPXTKTCAW-JGVFFNPUSA-N 2 1 228.258 1.017 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576261773 984160359 /nfs/dbraw/zinc/16/03/59/984160359.db2.gz AXDLPMVBRMZZNJ-RVMXOQNASA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576273309 984165816 /nfs/dbraw/zinc/16/58/16/984165816.db2.gz UFZOJLQEOBDFLQ-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1[C@H](CO)CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC001576572268 984172306 /nfs/dbraw/zinc/17/23/06/984172306.db2.gz KGPTUYOUYKMVOC-JSGCOSHPSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC001576572270 984173821 /nfs/dbraw/zinc/17/38/21/984173821.db2.gz KGPTUYOUYKMVOC-OCCSQVGLSA-N 2 1 240.391 1.469 20 0 BDADMP COCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981049 984174337 /nfs/dbraw/zinc/17/43/37/984174337.db2.gz BEYBJJXUCGXWQK-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP CC[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001576996410 984187531 /nfs/dbraw/zinc/18/75/31/984187531.db2.gz FEQMPEZWRXHICO-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001576996410 984187533 /nfs/dbraw/zinc/18/75/33/984187533.db2.gz FEQMPEZWRXHICO-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP CCC[C@@H](O)C[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001577369642 984192431 /nfs/dbraw/zinc/19/24/31/984192431.db2.gz SEMQVULBJDDPDG-MOENNCHZSA-N 2 1 212.337 1.103 20 0 BDADMP CC[N@H+](C[C@H](O)c1ccccn1)C1CC[NH2+]CC1 ZINC001577672531 984203666 /nfs/dbraw/zinc/20/36/66/984203666.db2.gz ZJMOTRKAJBZHMK-AWEZNQCLSA-N 2 1 249.358 1.189 20 0 BDADMP CC[N@@H+](C[C@H](O)c1ccccn1)C1CC[NH2+]CC1 ZINC001577672531 984203678 /nfs/dbraw/zinc/20/36/78/984203678.db2.gz ZJMOTRKAJBZHMK-AWEZNQCLSA-N 2 1 249.358 1.189 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[C@H]1C[NH3+] ZINC001205983864 984213784 /nfs/dbraw/zinc/21/37/84/984213784.db2.gz PPHWLDCZQSRERR-RDBSUJKOSA-N 2 1 240.391 1.720 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528751 984215442 /nfs/dbraw/zinc/21/54/42/984215442.db2.gz KZKWWBDBEXAYQQ-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001578622164 984216480 /nfs/dbraw/zinc/21/64/80/984216480.db2.gz PMBLOBKIJBYWDS-YPMHNXCESA-N 2 1 228.380 1.325 20 0 BDADMP COCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001274937501 984408946 /nfs/dbraw/zinc/40/89/46/984408946.db2.gz WEPDBAGMHGNHTF-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP COCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001274937501 984408953 /nfs/dbraw/zinc/40/89/53/984408953.db2.gz WEPDBAGMHGNHTF-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP COCCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001274937501 984408959 /nfs/dbraw/zinc/40/89/59/984408959.db2.gz WEPDBAGMHGNHTF-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001275087467 984485054 /nfs/dbraw/zinc/48/50/54/984485054.db2.gz WPFMVWIPGSVLHZ-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC001275137124 984503235 /nfs/dbraw/zinc/50/32/35/984503235.db2.gz OPIOZKMTBIGJOB-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC001275137124 984503241 /nfs/dbraw/zinc/50/32/41/984503241.db2.gz OPIOZKMTBIGJOB-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC001275137124 984503250 /nfs/dbraw/zinc/50/32/50/984503250.db2.gz OPIOZKMTBIGJOB-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[N@@H+]1CCC2(C[NH+](CC3CCOCC3)C2)C1 ZINC001275172305 984511322 /nfs/dbraw/zinc/51/13/22/984511322.db2.gz WRXFEQHYBGZVOR-UHFFFAOYSA-N 2 1 224.348 1.051 20 0 BDADMP C[N@H+]1CCC2(C[NH+](CC3CCOCC3)C2)C1 ZINC001275172305 984511331 /nfs/dbraw/zinc/51/13/31/984511331.db2.gz WRXFEQHYBGZVOR-UHFFFAOYSA-N 2 1 224.348 1.051 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC001577687650 984644271 /nfs/dbraw/zinc/64/42/71/984644271.db2.gz NYMSABVIEKAYGQ-MELADBBJSA-N 3 1 239.407 1.306 20 0 BDADMP CC[N@@H+](CCC[NH2+]C1CC1)CCC(=O)OC ZINC001577715498 984655758 /nfs/dbraw/zinc/65/57/58/984655758.db2.gz MNWQOPXPEATXLJ-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP CC[N@H+](CC[NH3+])CC1(O)CCCCCC1 ZINC001577720965 984668583 /nfs/dbraw/zinc/66/85/83/984668583.db2.gz HJVUNFUIZRHQIK-UHFFFAOYSA-N 2 1 214.353 1.352 20 0 BDADMP CC[N@@H+](CC[NH3+])CC1(O)CCCCCC1 ZINC001577720965 984668603 /nfs/dbraw/zinc/66/86/03/984668603.db2.gz HJVUNFUIZRHQIK-UHFFFAOYSA-N 2 1 214.353 1.352 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccnnc3)C[C@H]2CC1 ZINC001275881662 984712610 /nfs/dbraw/zinc/71/26/10/984712610.db2.gz CIZGBIJUJDULFI-OKILXGFUSA-N 2 1 246.358 1.250 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccnnc3)C[C@H]2CC1 ZINC001275881662 984712652 /nfs/dbraw/zinc/71/26/52/984712652.db2.gz CIZGBIJUJDULFI-OKILXGFUSA-N 2 1 246.358 1.250 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccnnc3)C[C@H]2CC1 ZINC001275881662 984712692 /nfs/dbraw/zinc/71/26/92/984712692.db2.gz CIZGBIJUJDULFI-OKILXGFUSA-N 2 1 246.358 1.250 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC001275885612 984716644 /nfs/dbraw/zinc/71/66/44/984716644.db2.gz JQIXAJRPLDQWQS-UHFFFAOYSA-N 2 1 245.370 1.999 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccnn1)CC2 ZINC001275874624 984717368 /nfs/dbraw/zinc/71/73/68/984717368.db2.gz LMVZPIDXBVMBRS-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000380153753 984728367 /nfs/dbraw/zinc/72/83/67/984728367.db2.gz JCZANIQBYKQHIO-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001577771079 984779866 /nfs/dbraw/zinc/77/98/66/984779866.db2.gz RLMXAONJPZUEKK-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H](CC[NH3+])C(F)F)C1 ZINC001577771069 984783204 /nfs/dbraw/zinc/78/32/04/984783204.db2.gz RLAKUXPHCNVXPS-UWVGGRQHSA-N 2 1 235.322 1.043 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001256732135 984802093 /nfs/dbraw/zinc/80/20/93/984802093.db2.gz BFMWFWXUBHLNNW-GZBFAFLISA-N 2 1 247.386 1.942 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001256732135 984802094 /nfs/dbraw/zinc/80/20/94/984802094.db2.gz BFMWFWXUBHLNNW-GZBFAFLISA-N 2 1 247.386 1.942 20 0 BDADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc[nH]c1)C2 ZINC001276103237 984814977 /nfs/dbraw/zinc/81/49/77/984814977.db2.gz GTKASMQPDCYARK-CQSZACIVSA-N 2 1 233.359 1.932 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc[nH]c1)C2 ZINC001276103237 984814978 /nfs/dbraw/zinc/81/49/78/984814978.db2.gz GTKASMQPDCYARK-CQSZACIVSA-N 2 1 233.359 1.932 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc[nH]c1)C2 ZINC001276103237 984814979 /nfs/dbraw/zinc/81/49/79/984814979.db2.gz GTKASMQPDCYARK-CQSZACIVSA-N 2 1 233.359 1.932 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc[nH]c1)C2 ZINC001276103237 984814982 /nfs/dbraw/zinc/81/49/82/984814982.db2.gz GTKASMQPDCYARK-CQSZACIVSA-N 2 1 233.359 1.932 20 0 BDADMP CC[NH2+][C@H](C)CN[C@H]1CCC[N@@H+](CC)C1 ZINC001577887162 984815444 /nfs/dbraw/zinc/81/54/44/984815444.db2.gz PSQASCXIMGHYJI-NEPJUHHUSA-N 2 1 213.369 1.058 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001577887071 984815633 /nfs/dbraw/zinc/81/56/33/984815633.db2.gz GREHMZYJHAATPG-NTZNESFSSA-N 2 1 236.363 1.111 20 0 BDADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC001577939274 984823313 /nfs/dbraw/zinc/82/33/13/984823313.db2.gz BLRKLSLMDJOWQW-LLVKDONJSA-N 2 1 244.379 1.635 20 0 BDADMP CCOC1CC(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC001578084307 984842940 /nfs/dbraw/zinc/84/29/40/984842940.db2.gz IIAONRZCUOHKLS-HBIQZDMRSA-N 2 1 212.337 1.081 20 0 BDADMP CCO[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578076073 984843301 /nfs/dbraw/zinc/84/33/01/984843301.db2.gz ZPFOKTGHQYAATG-RDBSUJKOSA-N 2 1 238.375 1.343 20 0 BDADMP CCO[C@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001578098211 984848041 /nfs/dbraw/zinc/84/80/41/984848041.db2.gz UMRHUSWGTAZMDS-MNOVXSKESA-N 2 1 214.353 1.661 20 0 BDADMP CCOc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)n1 ZINC001578191850 984868755 /nfs/dbraw/zinc/86/87/55/984868755.db2.gz JODQPFMQFQCQLM-JGZJWPJOSA-N 2 1 221.304 1.060 20 0 BDADMP CCC[C@@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257308211 984880642 /nfs/dbraw/zinc/88/06/42/984880642.db2.gz LFQHVPQDFRWADQ-NXEZZACHSA-N 2 1 211.309 1.106 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001578241992 984893894 /nfs/dbraw/zinc/89/38/94/984893894.db2.gz WMBWTDSEUXELJP-KKOKHZNYSA-N 2 1 240.347 1.058 20 0 BDADMP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001578259978 984899775 /nfs/dbraw/zinc/89/97/75/984899775.db2.gz UWXHRBNPZGQPFL-ZIAGYGMSSA-N 2 1 234.343 1.061 20 0 BDADMP CCc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001578267010 984910389 /nfs/dbraw/zinc/91/03/89/984910389.db2.gz YZAHQGHKRQPEAQ-KGLIPLIRSA-N 2 1 234.343 1.061 20 0 BDADMP CC[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257431509 985003177 /nfs/dbraw/zinc/00/31/77/985003177.db2.gz HVKXFIZQSTZXLF-IJLUTSLNSA-N 2 1 226.364 1.756 20 0 BDADMP C[N@@H+](C[C@H](O)C1CC1)C[C@@H]([NH3+])CCC(C)(C)C ZINC001578442213 985073375 /nfs/dbraw/zinc/07/33/75/985073375.db2.gz PJWWBIAEKWWRCP-STQMWFEESA-N 2 1 242.407 1.843 20 0 BDADMP C[N@H+](C[C@H](O)C1CC1)C[C@@H]([NH3+])CCC(C)(C)C ZINC001578442213 985073387 /nfs/dbraw/zinc/07/33/87/985073387.db2.gz PJWWBIAEKWWRCP-STQMWFEESA-N 2 1 242.407 1.843 20 0 BDADMP C[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450500 985081410 /nfs/dbraw/zinc/08/14/10/985081410.db2.gz QLQZFXNUPWGCCS-PDWCTOEPSA-N 2 1 236.359 1.094 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450500 985081422 /nfs/dbraw/zinc/08/14/22/985081422.db2.gz QLQZFXNUPWGCCS-PDWCTOEPSA-N 2 1 236.359 1.094 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)[C@H](C)O1 ZINC000686514907 985127128 /nfs/dbraw/zinc/12/71/28/985127128.db2.gz KJESRDPUDIJKTR-KSSYENDESA-N 2 1 226.364 1.530 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC001578521171 985145515 /nfs/dbraw/zinc/14/55/15/985145515.db2.gz MJGAKUBNPWHAFI-MRTXSQPYSA-N 3 1 237.391 1.186 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC001578521171 985145529 /nfs/dbraw/zinc/14/55/29/985145529.db2.gz MJGAKUBNPWHAFI-MRTXSQPYSA-N 2 1 237.391 1.186 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC001578521171 985145534 /nfs/dbraw/zinc/14/55/34/985145534.db2.gz MJGAKUBNPWHAFI-MRTXSQPYSA-N 2 1 237.391 1.186 20 0 BDADMP CN1CCN(CC[C@@H]2CC[NH2+]C2)c2ccc[nH+]c21 ZINC001578533686 985162143 /nfs/dbraw/zinc/16/21/43/985162143.db2.gz SMVFHZITQJLXDT-LBPRGKRZSA-N 2 1 246.358 1.337 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC001578541211 985172009 /nfs/dbraw/zinc/17/20/09/985172009.db2.gz WEZVPTVVQFOOCT-MCIONIFRSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@@]3(C)CCC[NH2+]C3)C[C@@H]21 ZINC001578541035 985175456 /nfs/dbraw/zinc/17/54/56/985175456.db2.gz MEQQQSKDECTOBU-RDBSUJKOSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC001578653849 985276449 /nfs/dbraw/zinc/27/64/49/985276449.db2.gz FBKYTSHSFJFTEZ-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP COC(=O)[C@@]1(C)CCC[N@@H+](CC(C)(C)C[NH3+])C1 ZINC001578779029 985340552 /nfs/dbraw/zinc/34/05/52/985340552.db2.gz XSTFNWCWMKXZKZ-ZDUSSCGKSA-N 2 1 242.363 1.246 20 0 BDADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH3+])C[C@@H]1C ZINC001578832550 985408163 /nfs/dbraw/zinc/40/81/63/985408163.db2.gz BEGGRPWIEOTADX-WDEREUQCSA-N 2 1 242.363 1.102 20 0 BDADMP O[C@@H](C[N@@H+]1CCC12CCCC2)C[NH+]1CCCC1 ZINC000687975886 985436463 /nfs/dbraw/zinc/43/64/63/985436463.db2.gz CFYXCOFGGDRSGG-CYBMUJFWSA-N 2 1 238.375 1.462 20 0 BDADMP O[C@@H](C[N@H+]1CCC12CCCC2)C[NH+]1CCCC1 ZINC000687975886 985436485 /nfs/dbraw/zinc/43/64/85/985436485.db2.gz CFYXCOFGGDRSGG-CYBMUJFWSA-N 2 1 238.375 1.462 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000688022584 985496677 /nfs/dbraw/zinc/49/66/77/985496677.db2.gz FIUQOVGXWBNFOW-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1COC[C@H]1C ZINC000688050057 985534452 /nfs/dbraw/zinc/53/44/52/985534452.db2.gz SHDOLNRCAHHIEQ-NEPJUHHUSA-N 2 1 214.353 1.341 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])C12CCC2 ZINC001578936360 985540302 /nfs/dbraw/zinc/54/03/02/985540302.db2.gz RAKDUNYFBWLVLK-NXEZZACHSA-N 2 1 212.337 1.271 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000688053121 985543817 /nfs/dbraw/zinc/54/38/17/985543817.db2.gz MKVUHGXBWCVSCV-VOAKCMCISA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000688053121 985543837 /nfs/dbraw/zinc/54/38/37/985543837.db2.gz MKVUHGXBWCVSCV-VOAKCMCISA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC001578938354 985554511 /nfs/dbraw/zinc/55/45/11/985554511.db2.gz RESUUCMNBNTQLM-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001578960381 985578293 /nfs/dbraw/zinc/57/82/93/985578293.db2.gz HJSOFURBUBJVDI-STQMWFEESA-N 2 1 244.379 1.016 20 0 BDADMP COC[C@H](C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC001578961775 985590391 /nfs/dbraw/zinc/59/03/91/985590391.db2.gz SGLCQKZDAOTLPA-AGIUHOORSA-N 2 1 228.380 1.635 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000689031141 985787338 /nfs/dbraw/zinc/78/73/38/985787338.db2.gz XUYZEQSPWXVPQF-ZJUUUORDSA-N 2 1 234.290 1.081 20 0 BDADMP COc1nc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC001579323683 985847266 /nfs/dbraw/zinc/84/72/66/985847266.db2.gz NBSKMFUKCWUXRI-NEPJUHHUSA-N 2 1 249.358 1.568 20 0 BDADMP COc1nc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC001579323683 985847270 /nfs/dbraw/zinc/84/72/70/985847270.db2.gz NBSKMFUKCWUXRI-NEPJUHHUSA-N 2 1 249.358 1.568 20 0 BDADMP CCOC(=O)CC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606367 985897366 /nfs/dbraw/zinc/89/73/66/985897366.db2.gz MATZPDFJDWHZKJ-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCCn2cccn2)C1 ZINC001206606366 985898896 /nfs/dbraw/zinc/89/88/96/985898896.db2.gz LWISGAYNSLNYOL-ZDUSSCGKSA-N 2 1 236.363 1.334 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CO ZINC001579423281 985900145 /nfs/dbraw/zinc/90/01/45/985900145.db2.gz YJJAMQPROWHSLP-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc[nH]2)C1 ZINC001206606751 985938311 /nfs/dbraw/zinc/93/83/11/985938311.db2.gz RPRYUTKQQDYTGJ-NSHDSACASA-N 2 1 207.321 1.576 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC001579454401 985940572 /nfs/dbraw/zinc/94/05/72/985940572.db2.gz AKESLNCNDUJWIZ-FRRDWIJNSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC001579454535 985945353 /nfs/dbraw/zinc/94/53/53/985945353.db2.gz JNYYJJFJQQNSOZ-YVECIDJPSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC001579454712 985949894 /nfs/dbraw/zinc/94/98/94/985949894.db2.gz XMGIJTUYPUXTQP-RFGFWPKPSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2cnccc2o1 ZINC001579460972 985956002 /nfs/dbraw/zinc/95/60/02/985956002.db2.gz WOBSLQIFDGQCTP-PWSUYJOCSA-N 2 1 245.326 1.773 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC001579467488 985967164 /nfs/dbraw/zinc/96/71/64/985967164.db2.gz JJSOMFGWAFXCSI-PSASIEDQSA-N 2 1 218.291 1.272 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cc(C3C[NH2+]C3)no2)C1 ZINC001579487004 986010623 /nfs/dbraw/zinc/01/06/23/986010623.db2.gz WRQFWMGRYGCEHA-JTQLQIEISA-N 2 1 235.331 1.593 20 0 BDADMP C[C@H]1CN(CC[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC001579490403 986015408 /nfs/dbraw/zinc/01/54/08/986015408.db2.gz QYCDBBBCIIFYSY-AWEZNQCLSA-N 2 1 247.386 1.412 20 0 BDADMP Cc1cc(C)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001579581442 986090757 /nfs/dbraw/zinc/09/07/57/986090757.db2.gz SFFUJYCWXWGFLJ-KBPBESRZSA-N 2 1 234.343 1.116 20 0 BDADMP Cc1cc(NC(=O)[C@H]2CCC[NH2+]2)cn2cc[nH+]c12 ZINC001579632717 986152131 /nfs/dbraw/zinc/15/21/31/986152131.db2.gz MLIUXTXAAYAHMJ-LLVKDONJSA-N 2 1 244.298 1.333 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCCC(=O)C2)CC1 ZINC001258769485 986157161 /nfs/dbraw/zinc/15/71/61/986157161.db2.gz PUMWNODDGIXGQQ-ZDUSSCGKSA-N 2 1 238.375 1.962 20 0 BDADMP Cc1conc1C[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579830009 986253970 /nfs/dbraw/zinc/25/39/70/986253970.db2.gz MCIHNXRACKAPLB-OCCSQVGLSA-N 2 1 249.358 1.934 20 0 BDADMP Cc1conc1C[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579830009 986253985 /nfs/dbraw/zinc/25/39/85/986253985.db2.gz MCIHNXRACKAPLB-OCCSQVGLSA-N 2 1 249.358 1.934 20 0 BDADMP Cc1[nH+]ccn1CCCN(C1CC1)C1C[NH2+]C1 ZINC001579882785 986300551 /nfs/dbraw/zinc/30/05/51/986300551.db2.gz FBUGAQVARRWQDR-UHFFFAOYSA-N 2 1 234.347 1.018 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC001253729526 986344787 /nfs/dbraw/zinc/34/47/87/986344787.db2.gz AGIVXGFKHSGWQD-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1csnn1 ZINC000398366396 986476506 /nfs/dbraw/zinc/47/65/06/986476506.db2.gz NVBWKNQSBHNKOZ-SECBINFHSA-N 2 1 240.376 1.531 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCSC1 ZINC000642860583 986576474 /nfs/dbraw/zinc/57/64/74/986576474.db2.gz KKYCTSLYUYEKLL-AEJSXWLSSA-N 2 1 200.351 1.161 20 0 BDADMP C[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)[C@H]1CO ZINC001254517094 986655438 /nfs/dbraw/zinc/65/54/38/986655438.db2.gz RYUDNEYOYNCOIN-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)[C@H]1CO ZINC001254517094 986655451 /nfs/dbraw/zinc/65/54/51/986655451.db2.gz RYUDNEYOYNCOIN-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)[C@H]1CO ZINC001254517094 986655458 /nfs/dbraw/zinc/65/54/58/986655458.db2.gz RYUDNEYOYNCOIN-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C[C@@]1(C)O ZINC001254516440 986656558 /nfs/dbraw/zinc/65/65/58/986656558.db2.gz MJTKZWHPKMWMOB-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@@]1(C)O ZINC001254516440 986656561 /nfs/dbraw/zinc/65/65/61/986656561.db2.gz MJTKZWHPKMWMOB-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@@]1(C)O ZINC001254516440 986656576 /nfs/dbraw/zinc/65/65/76/986656576.db2.gz MJTKZWHPKMWMOB-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C[C@@H]1O ZINC001254517060 986659303 /nfs/dbraw/zinc/65/93/03/986659303.db2.gz RTDCHAXKPOOWOS-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@@H]1O ZINC001254517060 986659306 /nfs/dbraw/zinc/65/93/06/986659306.db2.gz RTDCHAXKPOOWOS-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@@H]1O ZINC001254517060 986659322 /nfs/dbraw/zinc/65/93/22/986659322.db2.gz RTDCHAXKPOOWOS-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CC3(CSC3)C2)CC1 ZINC001254529028 986677580 /nfs/dbraw/zinc/67/75/80/986677580.db2.gz BYKBTYCKCIFRQM-LLVKDONJSA-N 2 1 226.389 1.520 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC3(CSC3)C2)CC1 ZINC001254529028 986677585 /nfs/dbraw/zinc/67/75/85/986677585.db2.gz BYKBTYCKCIFRQM-LLVKDONJSA-N 2 1 226.389 1.520 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000379995672 986690649 /nfs/dbraw/zinc/69/06/49/986690649.db2.gz IFPVFWCUCFCPEL-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@@H](C3CC3)C2)CC1 ZINC001580243408 986692744 /nfs/dbraw/zinc/69/27/44/986692744.db2.gz FURITTYBEDFCSP-GFCCVEGCSA-N 2 1 208.349 1.847 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2nnc[nH]2)C1 ZINC001580387145 986812128 /nfs/dbraw/zinc/81/21/28/986812128.db2.gz NYYBVQOXOIQBTD-AXFHLTTASA-N 2 1 235.335 1.069 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC001580431567 986849806 /nfs/dbraw/zinc/84/98/06/986849806.db2.gz MCTOVVMRLLXQTQ-MGCOHNPYSA-N 2 1 216.288 1.142 20 0 BDADMP C[N@H+]1CC[C@@H](n2cc(C[NH3+])c3ccccc32)C1 ZINC001255413139 986940492 /nfs/dbraw/zinc/94/04/92/986940492.db2.gz UECLCUZDIGBVFV-GFCCVEGCSA-N 2 1 229.327 1.977 20 0 BDADMP C[N@H+]1CC[C@H](N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001255437692 986955810 /nfs/dbraw/zinc/95/58/10/986955810.db2.gz DOYASAGMJSTNHG-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](O)C1 ZINC001255954059 987097189 /nfs/dbraw/zinc/09/71/89/987097189.db2.gz AAVYNAQPEUXXEN-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073184 987126840 /nfs/dbraw/zinc/12/68/40/987126840.db2.gz OBBCGYRZVGFYMI-CQSZACIVSA-N 2 1 238.375 1.724 20 0 BDADMP CO[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073184 987126848 /nfs/dbraw/zinc/12/68/48/987126848.db2.gz OBBCGYRZVGFYMI-CQSZACIVSA-N 2 1 238.375 1.724 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001245999632 987277364 /nfs/dbraw/zinc/27/73/64/987277364.db2.gz BGEMCXJPSULUQZ-RYUDHWBXSA-N 2 1 226.295 1.186 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692872968 987295454 /nfs/dbraw/zinc/29/54/54/987295454.db2.gz MTXQIQSTBQUFED-KBPBESRZSA-N 2 1 240.391 1.469 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246017650 987300361 /nfs/dbraw/zinc/30/03/61/987300361.db2.gz SJFSSEROEHNETE-CHWSQXEVSA-N 2 1 228.380 1.741 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246023257 987311457 /nfs/dbraw/zinc/31/14/57/987311457.db2.gz PDIBKHWQPVCSSL-MCIONIFRSA-N 2 1 242.407 1.844 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000693776858 987317314 /nfs/dbraw/zinc/31/73/14/987317314.db2.gz KSGYPEGHWXIEOE-SNVBAGLBSA-N 2 1 246.445 1.724 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246025326 987318530 /nfs/dbraw/zinc/31/85/30/987318530.db2.gz WOTQCFZVVNSYQR-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246028116 987323264 /nfs/dbraw/zinc/32/32/64/987323264.db2.gz ABPYXJATMQMKSR-KBPBESRZSA-N 2 1 242.407 1.988 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246025901 987326300 /nfs/dbraw/zinc/32/63/00/987326300.db2.gz ZVYORYVLUQYZCG-QWHCGFSZSA-N 2 1 228.380 1.741 20 0 BDADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000696789856 987344148 /nfs/dbraw/zinc/34/41/48/987344148.db2.gz RKQQAYCYMIBWAK-ZIAGYGMSSA-N 2 1 242.407 1.988 20 0 BDADMP C[N@@H+](CCOCC1CC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697090377 987352260 /nfs/dbraw/zinc/35/22/60/987352260.db2.gz YYBOYYVTOYQIIU-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP C[NH2+]CC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246073212 987361359 /nfs/dbraw/zinc/36/13/59/987361359.db2.gz RCKJGWWQVQFLNK-UHFFFAOYSA-N 3 1 225.380 1.108 20 0 BDADMP C[NH2+]CC[C@@H](C)[NH2+]C[C@]1(C)CCCC[NH2+]C1 ZINC001246104098 987429045 /nfs/dbraw/zinc/42/90/45/987429045.db2.gz UJPWITDYDHEMLT-CHWSQXEVSA-N 3 1 227.396 1.354 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105512 987432840 /nfs/dbraw/zinc/43/28/40/987432840.db2.gz MQKYXCOQVLZMBU-DGCLKSJQSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105517 987433637 /nfs/dbraw/zinc/43/36/37/987433637.db2.gz MQKYXCOQVLZMBU-YPMHNXCESA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246109884 987440298 /nfs/dbraw/zinc/44/02/98/987440298.db2.gz KUGJMOSOCFZQHD-ZRUFSTJUSA-N 2 1 200.301 1.607 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCC[N@@H+](C)CC1 ZINC001246108505 987440660 /nfs/dbraw/zinc/44/06/60/987440660.db2.gz IIYZXXUWRZSSRD-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001246108505 987440665 /nfs/dbraw/zinc/44/06/65/987440665.db2.gz IIYZXXUWRZSSRD-IHRRRGAJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001246108505 987440669 /nfs/dbraw/zinc/44/06/69/987440669.db2.gz IIYZXXUWRZSSRD-IHRRRGAJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246109921 987441136 /nfs/dbraw/zinc/44/11/36/987441136.db2.gz LDXPCXBBXPGRGY-WISYIIOYSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1C[NH2+][C@H]1CCCCNC1 ZINC001246114158 987449401 /nfs/dbraw/zinc/44/94/01/987449401.db2.gz UTVLQYILWGJMMA-MCIONIFRSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCC[N@H+](C)C1 ZINC001246113928 987449432 /nfs/dbraw/zinc/44/94/32/987449432.db2.gz UVQGJHKLNGRQRS-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCC[N@@H+](C)C1 ZINC001246113928 987449436 /nfs/dbraw/zinc/44/94/36/987449436.db2.gz UVQGJHKLNGRQRS-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246121009 987467345 /nfs/dbraw/zinc/46/73/45/987467345.db2.gz VKOXWZOJDPXKEM-HZSPNIEDSA-N 3 1 237.391 1.250 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132306 987480503 /nfs/dbraw/zinc/48/05/03/987480503.db2.gz LNXHCWUGPAFYAN-RYUDHWBXSA-N 2 1 226.364 1.532 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246131498 987483965 /nfs/dbraw/zinc/48/39/65/987483965.db2.gz ZCXFLSMYKWROBM-YFKTTZPYSA-N 2 1 208.349 1.763 20 0 BDADMP CC(C)OCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132304 987485547 /nfs/dbraw/zinc/48/55/47/987485547.db2.gz LNXHCWUGPAFYAN-NWDGAFQWSA-N 2 1 226.364 1.532 20 0 BDADMP CCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246133861 987486303 /nfs/dbraw/zinc/48/63/03/987486303.db2.gz KHUKRCWLJIOWSU-FDYHWXHSSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246147994 987509569 /nfs/dbraw/zinc/50/95/69/987509569.db2.gz NPWGDBBOQXXEQB-PEBLQZBPSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccccc2)CC[NH2+]1 ZINC001246153216 987511340 /nfs/dbraw/zinc/51/13/40/987511340.db2.gz MLMOBQUBORMILM-SNPRPXQTSA-N 2 1 248.370 1.840 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116293392 987512162 /nfs/dbraw/zinc/51/21/62/987512162.db2.gz ARJFASLJNKKDMY-RFGFWPKPSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116293392 987512178 /nfs/dbraw/zinc/51/21/78/987512178.db2.gz ARJFASLJNKKDMY-RFGFWPKPSA-N 2 1 239.407 1.399 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001246153872 987519098 /nfs/dbraw/zinc/51/90/98/987519098.db2.gz ULNXHZOQKPXXFR-UTUOFQBUSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])C[NH2+]1 ZINC001246165248 987522550 /nfs/dbraw/zinc/52/25/50/987522550.db2.gz QDHGUJCAMSOEOB-VXGBXAGGSA-N 3 1 213.369 1.236 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246183102 987555196 /nfs/dbraw/zinc/55/51/96/987555196.db2.gz DGCUZLBZRFDHPK-KGLIPLIRSA-N 2 1 241.423 1.839 20 0 BDADMP C([NH2+][C@H]1CCCCNC1)[C@@H]1CC12CC[NH2+]CC2 ZINC001246185674 987559516 /nfs/dbraw/zinc/55/95/16/987559516.db2.gz VHWWHQJLTNJYIE-STQMWFEESA-N 2 1 237.391 1.108 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)CC[NH2+]1 ZINC001246184578 987561411 /nfs/dbraw/zinc/56/14/11/987561411.db2.gz MDVKBCYZDGSKJD-KOLCDFICSA-N 2 1 246.314 1.453 20 0 BDADMP C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC001246188831 987574727 /nfs/dbraw/zinc/57/47/27/987574727.db2.gz GPUISYGIJRZHJR-HZSPNIEDSA-N 2 1 237.391 1.250 20 0 BDADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246197742 987590827 /nfs/dbraw/zinc/59/08/27/987590827.db2.gz LMCZQUXWPJNGEN-NWDGAFQWSA-N 3 1 225.380 1.106 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246199150 987595304 /nfs/dbraw/zinc/59/53/04/987595304.db2.gz JDNRTJROLKEMOC-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP CCCC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246211233 987606830 /nfs/dbraw/zinc/60/68/30/987606830.db2.gz QAGUEZHKAMRVIC-QJPTWQEYSA-N 2 1 214.353 1.268 20 0 BDADMP CCOC(CC[NH2+][C@H]1CCC[NH2+]C1)OCC ZINC001246226518 987621599 /nfs/dbraw/zinc/62/15/99/987621599.db2.gz AJTKLOHOVOEPLR-NSHDSACASA-N 2 1 230.352 1.117 20 0 BDADMP C([NH2+][C@H]1CCCCNC1)[C@@H]1CCC[NH2+]CC1 ZINC001246225279 987622088 /nfs/dbraw/zinc/62/20/88/987622088.db2.gz OTWCAGVVBCLXMQ-OLZOCXBDSA-N 2 1 225.380 1.108 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246232132 987629700 /nfs/dbraw/zinc/62/97/00/987629700.db2.gz WHSSQZNXHROGPA-ZOBORPQBSA-N 3 1 239.407 1.623 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246238898 987639606 /nfs/dbraw/zinc/63/96/06/987639606.db2.gz AUZGGSPBMHJYJH-MCIONIFRSA-N 3 1 239.407 1.639 20 0 BDADMP O[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC001246262254 987659113 /nfs/dbraw/zinc/65/91/13/987659113.db2.gz BRHWVXLRJGLXHA-LSDHHAIUSA-N 2 1 246.354 1.376 20 0 BDADMP C[NH2+]C1CCC([NH2+]CC2(N)CCCCC2)CC1 ZINC001246281115 987675512 /nfs/dbraw/zinc/67/55/12/987675512.db2.gz ZMLBHMBMKUGQOF-UHFFFAOYSA-N 2 1 239.407 1.768 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccoc3)[C@@H]2C1 ZINC001474303260 987681286 /nfs/dbraw/zinc/68/12/86/987681286.db2.gz VJHCZDWDPVOSTB-XQQFMLRXSA-N 2 1 220.316 1.709 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccoc3)[C@@H]2C1 ZINC001474303260 987681292 /nfs/dbraw/zinc/68/12/92/987681292.db2.gz VJHCZDWDPVOSTB-XQQFMLRXSA-N 2 1 220.316 1.709 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccoc3)[C@H]2C1 ZINC001474303258 987681360 /nfs/dbraw/zinc/68/13/60/987681360.db2.gz VJHCZDWDPVOSTB-AVGNSLFASA-N 2 1 220.316 1.709 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccoc3)[C@H]2C1 ZINC001474303258 987681367 /nfs/dbraw/zinc/68/13/67/987681367.db2.gz VJHCZDWDPVOSTB-AVGNSLFASA-N 2 1 220.316 1.709 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3ccnn32)CC[NH2+]1 ZINC001246291434 987683261 /nfs/dbraw/zinc/68/32/61/987683261.db2.gz INFVOAMCJXKJND-NWDGAFQWSA-N 2 1 244.342 1.564 20 0 BDADMP CCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246299488 987695122 /nfs/dbraw/zinc/69/51/22/987695122.db2.gz LDADDNSNEDJPLG-AVGNSLFASA-N 2 1 228.380 1.515 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246301681 987697292 /nfs/dbraw/zinc/69/72/92/987697292.db2.gz UVSQUMQTHALNTE-WUHRBBMRSA-N 3 1 227.396 1.623 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC001116770224 987699905 /nfs/dbraw/zinc/69/99/05/987699905.db2.gz ALZVTXWLJXFYEK-NWDGAFQWSA-N 2 1 240.347 1.012 20 0 BDADMP CCCC[C@H]1C[C@H]([NH2+]CC[C@@H](C)[NH3+])CC[NH2+]1 ZINC001246303345 987701495 /nfs/dbraw/zinc/70/14/95/987701495.db2.gz HNPSPSMMJSMMAP-FRRDWIJNSA-N 3 1 227.396 1.624 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246307640 987708643 /nfs/dbraw/zinc/70/86/43/987708643.db2.gz ZWXGISGYLMFYJB-STQMWFEESA-N 3 1 239.407 1.768 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ncccc32)CC[NH2+]1 ZINC001246310239 987713486 /nfs/dbraw/zinc/71/34/86/987713486.db2.gz GGZQGSGRCXIOFT-JTNHKYCSSA-N 2 1 231.343 1.799 20 0 BDADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1F ZINC001246317903 987725082 /nfs/dbraw/zinc/72/50/82/987725082.db2.gz OVRUJMJOJHHGSG-UHFFFAOYSA-N 2 1 238.306 1.676 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1CC(OC)C1 ZINC001474493485 987738167 /nfs/dbraw/zinc/73/81/67/987738167.db2.gz RBLINNSSCWPLGH-PNESKVBLSA-N 2 1 228.380 1.731 20 0 BDADMP CC(=O)NCCCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246337623 987745169 /nfs/dbraw/zinc/74/51/69/987745169.db2.gz WUSOIHVNMOCRND-YPMHNXCESA-N 2 1 241.379 1.023 20 0 BDADMP COC1CCC(CC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246337483 987745830 /nfs/dbraw/zinc/74/58/30/987745830.db2.gz VKYVZPYKAGKTDL-MOKVOYLWSA-N 2 1 240.391 1.923 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1C[C@@H]2COC[C@@H]21)C1CC1 ZINC001474566796 987762111 /nfs/dbraw/zinc/76/21/11/987762111.db2.gz QTBRWIQLKVOCKO-XBFCOCLRSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)n1cncc1C[NH2+]C1CC[NH2+]CC1 ZINC001246383102 987779461 /nfs/dbraw/zinc/77/94/61/987779461.db2.gz GOCWWJSGTYIUAS-UHFFFAOYSA-N 2 1 222.336 1.306 20 0 BDADMP CCC1(CN[C@H]2C[NH2+][C@H](C)C2)CC[NH2+]CC1 ZINC001246423899 987794191 /nfs/dbraw/zinc/79/41/91/987794191.db2.gz RRVQYRKGWRXCMM-VXGBXAGGSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2CCF)CC[NH2+]1 ZINC001246427279 987794269 /nfs/dbraw/zinc/79/42/69/987794269.db2.gz KBFJPVIEFRWUKH-QWRGUYRKSA-N 2 1 240.326 1.083 20 0 BDADMP CCC1(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246425825 987794762 /nfs/dbraw/zinc/79/47/62/987794762.db2.gz ZOWOIKVCADQGEP-QWHCGFSZSA-N 3 1 239.407 1.496 20 0 BDADMP CCC1(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246425827 987795213 /nfs/dbraw/zinc/79/52/13/987795213.db2.gz ZOWOIKVCADQGEP-STQMWFEESA-N 3 1 239.407 1.496 20 0 BDADMP CCSC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246450068 987804813 /nfs/dbraw/zinc/80/48/13/987804813.db2.gz AFAQDUULHPLGJH-LLVKDONJSA-N 3 1 233.425 1.046 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453946 987808307 /nfs/dbraw/zinc/80/83/07/987808307.db2.gz RKEVRXKCCNEVTH-CHWSQXEVSA-N 3 1 227.396 1.483 20 0 BDADMP CCC[C@@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246456099 987813331 /nfs/dbraw/zinc/81/33/31/987813331.db2.gz YWMVVKSRVUZMOL-GFCCVEGCSA-N 3 1 215.385 1.483 20 0 BDADMP Cc1nc(C)c(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001474735505 987814470 /nfs/dbraw/zinc/81/44/70/987814470.db2.gz RRJKTILAYMLAEA-CYBMUJFWSA-N 2 1 249.358 1.723 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C[NH2+]1 ZINC001246460548 987820598 /nfs/dbraw/zinc/82/05/98/987820598.db2.gz UVMGKUWEXODURW-FPYNETTCSA-N 2 1 208.349 1.905 20 0 BDADMP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccn1 ZINC001246467578 987825364 /nfs/dbraw/zinc/82/53/64/987825364.db2.gz ADPRYSADTYBKMI-GVXVVHGQSA-N 2 1 249.358 1.881 20 0 BDADMP CCCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246489503 987843225 /nfs/dbraw/zinc/84/32/25/987843225.db2.gz NPYAGWZYVIPGGU-OLZOCXBDSA-N 2 1 227.396 1.496 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246489423 987844446 /nfs/dbraw/zinc/84/44/46/987844446.db2.gz NKTGULGGUVKQPQ-QWHCGFSZSA-N 2 1 227.396 1.352 20 0 BDADMP CCCC[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246497008 987853039 /nfs/dbraw/zinc/85/30/39/987853039.db2.gz NPPHWJQOOJTQEN-KGLIPLIRSA-N 2 1 241.423 1.742 20 0 BDADMP CCCC[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246497009 987854369 /nfs/dbraw/zinc/85/43/69/987854369.db2.gz NPPHWJQOOJTQEN-UONOGXRCSA-N 2 1 241.423 1.742 20 0 BDADMP O=C(CCC[NH2+][C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC001246505740 987859511 /nfs/dbraw/zinc/85/95/11/987859511.db2.gz WGKDBZNJARZOQI-CYBMUJFWSA-N 2 1 247.342 1.386 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C[NH2+]1 ZINC001246504364 987859797 /nfs/dbraw/zinc/85/97/97/987859797.db2.gz PUGLIGHPALONAT-AEGPPILISA-N 2 1 248.370 1.493 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520716 987868160 /nfs/dbraw/zinc/86/81/60/987868160.db2.gz VMECDXCLVXAEFX-FRRDWIJNSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)C2CC(F)(F)C2)CC[NH2+]1 ZINC001246523307 987872609 /nfs/dbraw/zinc/87/26/09/987872609.db2.gz AOFZQLGOEMWLRE-DTWKUNHWSA-N 2 1 218.291 1.856 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)C2CC(F)(F)C2)CC[NH2+]1 ZINC001246523307 987872616 /nfs/dbraw/zinc/87/26/16/987872616.db2.gz AOFZQLGOEMWLRE-DTWKUNHWSA-N 2 1 218.291 1.856 20 0 BDADMP C[C@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CC[NH2+]1 ZINC001246528308 987883839 /nfs/dbraw/zinc/88/38/39/987883839.db2.gz VUJPJYMZGFDCPT-WDEREUQCSA-N 3 1 222.336 1.087 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532648 987889552 /nfs/dbraw/zinc/88/95/52/987889552.db2.gz XKPUHCOXOSYPIG-WCQYABFASA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532648 987889556 /nfs/dbraw/zinc/88/95/56/987889556.db2.gz XKPUHCOXOSYPIG-WCQYABFASA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246532649 987891985 /nfs/dbraw/zinc/89/19/85/987891985.db2.gz XKPUHCOXOSYPIG-YPMHNXCESA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246532649 987891989 /nfs/dbraw/zinc/89/19/89/987891989.db2.gz XKPUHCOXOSYPIG-YPMHNXCESA-N 2 1 242.363 1.531 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246538181 987899231 /nfs/dbraw/zinc/89/92/31/987899231.db2.gz ARYLYBBGJZSQAL-QJPTWQEYSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537193 987899291 /nfs/dbraw/zinc/89/92/91/987899291.db2.gz YXDXTGQYQUNLHH-ROKHWSDSSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@@]1(N)CC[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537193 987899296 /nfs/dbraw/zinc/89/92/96/987899296.db2.gz YXDXTGQYQUNLHH-ROKHWSDSSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@]1(N)CC[N@H+](C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537193 987899300 /nfs/dbraw/zinc/89/93/00/987899300.db2.gz YXDXTGQYQUNLHH-ROKHWSDSSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@]1([NH3+])CCN(C2CCC3(CC[NH2+]C3)CC2)C1 ZINC001246537193 987899306 /nfs/dbraw/zinc/89/93/06/987899306.db2.gz YXDXTGQYQUNLHH-ROKHWSDSSA-N 2 1 237.391 1.332 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246541577 987907847 /nfs/dbraw/zinc/90/78/47/987907847.db2.gz MFGXFHMFEOQJJX-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246541579 987910274 /nfs/dbraw/zinc/91/02/74/987910274.db2.gz MFGXFHMFEOQJJX-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246541081 987910666 /nfs/dbraw/zinc/91/06/66/987910666.db2.gz LMYQWBAKRUCXRZ-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@H]1COC(C)(C)C1 ZINC001246547010 987925414 /nfs/dbraw/zinc/92/54/14/987925414.db2.gz OQRWYONJJDOCFX-GARJFASQSA-N 2 1 212.337 1.366 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@H]1COC(C)(C)C1 ZINC001246547010 987925441 /nfs/dbraw/zinc/92/54/41/987925441.db2.gz OQRWYONJJDOCFX-GARJFASQSA-N 2 1 212.337 1.366 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246547171 987931543 /nfs/dbraw/zinc/93/15/43/987931543.db2.gz BQGMDOVXGOWCOB-RDBSUJKOSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246548393 987936102 /nfs/dbraw/zinc/93/61/02/987936102.db2.gz TVLOEZJUKZTTEZ-WOPDTQHZSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCOC3)CC2)CC[NH2+]1 ZINC001246551441 987943893 /nfs/dbraw/zinc/94/38/93/987943893.db2.gz ZKBPGWMPRBDXFQ-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246553431 987956511 /nfs/dbraw/zinc/95/65/11/987956511.db2.gz RVWKXLZPNYQYLF-OLZOCXBDSA-N 2 1 226.364 1.759 20 0 BDADMP CN1CCC([N@@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246553421 987958958 /nfs/dbraw/zinc/95/89/58/987958958.db2.gz RTDAPGBHUYMCOQ-ZDUSSCGKSA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246553421 987958971 /nfs/dbraw/zinc/95/89/71/987958971.db2.gz RTDAPGBHUYMCOQ-ZDUSSCGKSA-N 2 1 225.380 1.284 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC001246555434 987964662 /nfs/dbraw/zinc/96/46/62/987964662.db2.gz FDVLLTWPBMAWRS-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2)CC[C@@H]1C[NH3+] ZINC001246555713 987970205 /nfs/dbraw/zinc/97/02/05/987970205.db2.gz FUARHRIWEPLCCR-MGPQQGTHSA-N 2 1 239.407 1.387 20 0 BDADMP CCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557771 987974973 /nfs/dbraw/zinc/97/49/73/987974973.db2.gz HJXHXFVAAJOTLC-YNEHKIRRSA-N 2 1 228.380 1.739 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246558459 987977574 /nfs/dbraw/zinc/97/75/74/987977574.db2.gz QFKCUFMOUWTICG-OUAUKWLOSA-N 2 1 200.326 1.081 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246558459 987977583 /nfs/dbraw/zinc/97/75/83/987977583.db2.gz QFKCUFMOUWTICG-OUAUKWLOSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246557793 987978869 /nfs/dbraw/zinc/97/88/69/987978869.db2.gz HXNSXYFNDIQTJS-CHWFTXMASA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246557793 987978876 /nfs/dbraw/zinc/97/88/76/987978876.db2.gz HXNSXYFNDIQTJS-CHWFTXMASA-N 2 1 200.301 1.559 20 0 BDADMP CC(C)=CCC[C@H](C)[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001246558792 987982073 /nfs/dbraw/zinc/98/20/73/987982073.db2.gz RJLUKKNVESDWRT-QJPTWQEYSA-N 2 1 212.337 1.125 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246560604 987985496 /nfs/dbraw/zinc/98/54/96/987985496.db2.gz QPZMZOQXQUPXPA-RWMBFGLXSA-N 3 1 227.396 1.291 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246561747 987990701 /nfs/dbraw/zinc/99/07/01/987990701.db2.gz LAXDLWAUHFLTLI-MJBXVCDLSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@](O)(CF)C2)C[NH2+]1 ZINC001246562949 988000951 /nfs/dbraw/zinc/00/09/51/988000951.db2.gz APVFCAMBRABKOM-FRRDWIJNSA-N 2 1 244.354 1.313 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](O)(CF)C2)C[NH2+]1 ZINC001246562949 988000960 /nfs/dbraw/zinc/00/09/60/988000960.db2.gz APVFCAMBRABKOM-FRRDWIJNSA-N 2 1 244.354 1.313 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563951 988014271 /nfs/dbraw/zinc/01/42/71/988014271.db2.gz YHIVVAFXSXOVBQ-ZOBORPQBSA-N 2 1 239.407 1.434 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@H](C)CC[C@H]2C[NH3+])C1 ZINC001246566748 988025320 /nfs/dbraw/zinc/02/53/20/988025320.db2.gz IMMKSQYGPWZRGX-AGIUHOORSA-N 2 1 225.380 1.140 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246572162 988057438 /nfs/dbraw/zinc/05/74/38/988057438.db2.gz UTBJQURPLUADSG-XQQFMLRXSA-N 2 1 246.370 1.951 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246572162 988057452 /nfs/dbraw/zinc/05/74/52/988057452.db2.gz UTBJQURPLUADSG-XQQFMLRXSA-N 2 1 246.370 1.951 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246573447 988069889 /nfs/dbraw/zinc/06/98/89/988069889.db2.gz COQFZENLOMTWPH-CHWSQXEVSA-N 2 1 243.370 1.234 20 0 BDADMP CN1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246577775 988087531 /nfs/dbraw/zinc/08/75/31/988087531.db2.gz PJTNOQNAZDUVQZ-AWEZNQCLSA-N 2 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246577775 988087542 /nfs/dbraw/zinc/08/75/42/988087542.db2.gz PJTNOQNAZDUVQZ-AWEZNQCLSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246577775 988087557 /nfs/dbraw/zinc/08/75/57/988087557.db2.gz PJTNOQNAZDUVQZ-AWEZNQCLSA-N 3 1 239.407 1.532 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578862 988100909 /nfs/dbraw/zinc/10/09/09/988100909.db2.gz IADOLAGIJZQHPL-JQWIXIFHSA-N 2 1 226.364 1.207 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246582295 988109801 /nfs/dbraw/zinc/10/98/01/988109801.db2.gz WITBRLAOQYTDDT-BFHYXJOUSA-N 2 1 242.407 1.843 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582766 988120484 /nfs/dbraw/zinc/12/04/84/988120484.db2.gz HMMUSGYRGBYLFM-RVMXOQNASA-N 2 1 228.380 1.453 20 0 BDADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583659 988121376 /nfs/dbraw/zinc/12/13/76/988121376.db2.gz KPRXBIDGIPROGO-YIYPIFLZSA-N 2 1 242.407 1.843 20 0 BDADMP CC1(C)C[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246583746 988125781 /nfs/dbraw/zinc/12/57/81/988125781.db2.gz RSIDYRRYXPMHLI-VHSXEESVSA-N 2 1 247.333 1.185 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246583244 988126614 /nfs/dbraw/zinc/12/66/14/988126614.db2.gz IXHRLMQUDMXJRS-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246583244 988126621 /nfs/dbraw/zinc/12/66/21/988126621.db2.gz IXHRLMQUDMXJRS-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP CCCCC[C@H](CC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246585287 988139025 /nfs/dbraw/zinc/13/90/25/988139025.db2.gz NHCKIKKIRRWEGH-RWMBFGLXSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](F)(CO)CC2)CC[NH2+]1 ZINC001246587708 988144352 /nfs/dbraw/zinc/14/43/52/988144352.db2.gz IMNLFICENMEXTP-JHJVBQTASA-N 2 1 244.354 1.313 20 0 BDADMP CCC(CC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246586699 988146699 /nfs/dbraw/zinc/14/66/99/988146699.db2.gz MZODBIBQZDILOI-WDEREUQCSA-N 2 1 202.317 1.936 20 0 BDADMP CCC(CC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246586699 988146715 /nfs/dbraw/zinc/14/67/15/988146715.db2.gz MZODBIBQZDILOI-WDEREUQCSA-N 2 1 202.317 1.936 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246588739 988157203 /nfs/dbraw/zinc/15/72/03/988157203.db2.gz CICBXTHVGCOQQY-IZGVIRRGSA-N 3 1 249.402 1.496 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246588739 988157227 /nfs/dbraw/zinc/15/72/27/988157227.db2.gz CICBXTHVGCOQQY-IZGVIRRGSA-N 3 1 249.402 1.496 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589048 988158055 /nfs/dbraw/zinc/15/80/55/988158055.db2.gz QZEGGBTUZSQYGI-RTXFEEFZSA-N 2 1 240.322 1.972 20 0 BDADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589048 988158062 /nfs/dbraw/zinc/15/80/62/988158062.db2.gz QZEGGBTUZSQYGI-RTXFEEFZSA-N 2 1 240.322 1.972 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246591691 988178872 /nfs/dbraw/zinc/17/88/72/988178872.db2.gz NNZMVYXBJYZYJS-DGAVXFQQSA-N 2 1 240.391 1.610 20 0 BDADMP C1C[C@H]2CC([N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)C[C@@H]1[NH2+]2 ZINC001246599223 988207405 /nfs/dbraw/zinc/20/74/05/988207405.db2.gz BGNJSUVJXKKYGT-IXXDHKBRSA-N 3 1 249.402 1.345 20 0 BDADMP C1C[C@H]2CC([N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)C[C@@H]1[NH2+]2 ZINC001246599223 988207419 /nfs/dbraw/zinc/20/74/19/988207419.db2.gz BGNJSUVJXKKYGT-IXXDHKBRSA-N 3 1 249.402 1.345 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246603214 988212840 /nfs/dbraw/zinc/21/28/40/988212840.db2.gz YAMSZEFMJZKEDL-NSHDSACASA-N 2 1 219.332 1.293 20 0 BDADMP CCCC[C@@H](C)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246604138 988213528 /nfs/dbraw/zinc/21/35/28/988213528.db2.gz NHBAQRCDGLPPDX-CYBMUJFWSA-N 2 1 239.407 1.593 20 0 BDADMP C1C[C@]2(C[NH2+]1)C[NH2+]CCN2C1CCCCCC1 ZINC001246623047 988275665 /nfs/dbraw/zinc/27/56/65/988275665.db2.gz IXEDFSLGORLQQR-AWEZNQCLSA-N 2 1 237.391 1.347 20 0 BDADMP CC[C@@H]1CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246624130 988279843 /nfs/dbraw/zinc/27/98/43/988279843.db2.gz CAPJRSNJKXCXMH-MCIONIFRSA-N 2 1 237.391 1.202 20 0 BDADMP OCC[C@@H]1CC12CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246625987 988284813 /nfs/dbraw/zinc/28/48/13/988284813.db2.gz IVJKEWOFUPOHAU-GFCCVEGCSA-N 2 1 238.375 1.223 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)C[NH2+]1 ZINC001246630167 988305823 /nfs/dbraw/zinc/30/58/23/988305823.db2.gz HICXIBDCTQHPCA-ZNSHCXBVSA-N 2 1 230.302 1.714 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636981 988327681 /nfs/dbraw/zinc/32/76/81/988327681.db2.gz HZZBRRMGGWLIFX-QJPTWQEYSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)CCO1 ZINC001246643023 988344783 /nfs/dbraw/zinc/34/47/83/988344783.db2.gz LRMXUVCMIWZZAM-IHRRRGAJSA-N 2 1 238.375 1.772 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246642714 988345912 /nfs/dbraw/zinc/34/59/12/988345912.db2.gz NELSKEBUPXFJOK-JSGCOSHPSA-N 2 1 237.391 1.202 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246644073 988356209 /nfs/dbraw/zinc/35/62/09/988356209.db2.gz PMXHXELBSPZFJX-KGLIPLIRSA-N 2 1 237.391 1.299 20 0 BDADMP C1OCC12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246649412 988371813 /nfs/dbraw/zinc/37/18/13/988371813.db2.gz YVSSGIIWDDALHG-FUNVUKJBSA-N 2 1 236.359 1.382 20 0 BDADMP CCCC[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656142 988383076 /nfs/dbraw/zinc/38/30/76/988383076.db2.gz IVDFXZKWGJUXKH-QSLWVIQJSA-N 3 1 237.391 1.186 20 0 BDADMP CCCC[C@H]1C[C@@H](N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246656142 988383085 /nfs/dbraw/zinc/38/30/85/988383085.db2.gz IVDFXZKWGJUXKH-QSLWVIQJSA-N 2 1 237.391 1.186 20 0 BDADMP C1C[C@H]2C[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C[C@H]2[NH2+]1 ZINC001246655300 988384049 /nfs/dbraw/zinc/38/40/49/988384049.db2.gz YWVZJXLOVQZMMP-MELADBBJSA-N 3 1 249.402 1.202 20 0 BDADMP FC1(F)CC[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246659832 988390169 /nfs/dbraw/zinc/39/01/69/988390169.db2.gz YGIPGTLEWBGCBL-VWYCJHECSA-N 2 1 230.302 1.716 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246666590 988409756 /nfs/dbraw/zinc/40/97/56/988409756.db2.gz WKSXRQVCOQNUCE-ZYHUDNBSSA-N 2 1 234.347 1.148 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246677217 988422216 /nfs/dbraw/zinc/42/22/16/988422216.db2.gz HBDADJAJJBAHOK-AAEUAGOBSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246679782 988433323 /nfs/dbraw/zinc/43/33/23/988433323.db2.gz XTCWBWNPDYXGQW-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246679782 988433331 /nfs/dbraw/zinc/43/33/31/988433331.db2.gz XTCWBWNPDYXGQW-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CCCCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246768092 988456306 /nfs/dbraw/zinc/45/63/06/988456306.db2.gz FDCJHGHNCCOYAW-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP CO[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246761733 988458086 /nfs/dbraw/zinc/45/80/86/988458086.db2.gz WJFVIIRJRJLRKT-YIYPIFLZSA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@@H+](C1CCN(C)CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246784946 988464167 /nfs/dbraw/zinc/46/41/67/988464167.db2.gz IQRWELCOLISLPY-TZMCWYRMSA-N 2 1 239.407 1.543 20 0 BDADMP CCN(C1CC[NH+](C)CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246784946 988464177 /nfs/dbraw/zinc/46/41/77/988464177.db2.gz IQRWELCOLISLPY-TZMCWYRMSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[N@@H+](CC1CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246790268 988466493 /nfs/dbraw/zinc/46/64/93/988466493.db2.gz MUAFMARPFIYRBS-CYBMUJFWSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246802152 988485410 /nfs/dbraw/zinc/48/54/10/988485410.db2.gz JRSVSNMBSLDXOP-LBPRGKRZSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246802152 988485415 /nfs/dbraw/zinc/48/54/15/988485415.db2.gz JRSVSNMBSLDXOP-LBPRGKRZSA-N 2 1 237.391 1.202 20 0 BDADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246812329 988497543 /nfs/dbraw/zinc/49/75/43/988497543.db2.gz YUIFUENSWDECDY-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP C1CC12C[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246831082 988523781 /nfs/dbraw/zinc/52/37/81/988523781.db2.gz AODRNJKVSBDFMZ-ZIAGYGMSSA-N 2 1 249.402 1.347 20 0 BDADMP C1C[NH2+]C[C@@H]([NH+]2CCC3(CCOCC3)CC2)C1 ZINC001246843894 988553355 /nfs/dbraw/zinc/55/33/55/988553355.db2.gz XFSSTIKCSLWERR-ZDUSSCGKSA-N 2 1 238.375 1.631 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246852659 988568289 /nfs/dbraw/zinc/56/82/89/988568289.db2.gz JIGNGHMGFMTYAX-YNEHKIRRSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246852659 988568295 /nfs/dbraw/zinc/56/82/95/988568295.db2.gz JIGNGHMGFMTYAX-YNEHKIRRSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246854952 988580402 /nfs/dbraw/zinc/58/04/02/988580402.db2.gz RNDDUGTVWUFNSA-XBFCOCLRSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246854952 988580415 /nfs/dbraw/zinc/58/04/15/988580415.db2.gz RNDDUGTVWUFNSA-XBFCOCLRSA-N 2 1 231.343 1.436 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865048 988610683 /nfs/dbraw/zinc/61/06/83/988610683.db2.gz XPWNYDBFWNKCTD-XSCHDIRWSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@@]12CC[C@@H]1C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865048 988610694 /nfs/dbraw/zinc/61/06/94/988610694.db2.gz XPWNYDBFWNKCTD-XSCHDIRWSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@@]12CC[C@@H]1C[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865048 988610701 /nfs/dbraw/zinc/61/07/01/988610701.db2.gz XPWNYDBFWNKCTD-XSCHDIRWSA-N 2 1 249.402 1.332 20 0 BDADMP CCSC[C@@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863334 988613841 /nfs/dbraw/zinc/61/38/41/988613841.db2.gz WYLRVTPVGUMSLK-YIBTVLSRSA-N 2 1 244.404 1.034 20 0 BDADMP CCSC[C@@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863334 988613864 /nfs/dbraw/zinc/61/38/64/988613864.db2.gz WYLRVTPVGUMSLK-YIBTVLSRSA-N 2 1 244.404 1.034 20 0 BDADMP CC1(C)CC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC(C)(C)O1 ZINC001246866069 988621640 /nfs/dbraw/zinc/62/16/40/988621640.db2.gz DZPXRAZYEJSBRQ-QMTHXVAHSA-N 2 1 238.375 1.756 20 0 BDADMP CC1(C)CC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC(C)(C)O1 ZINC001246866069 988621654 /nfs/dbraw/zinc/62/16/54/988621654.db2.gz DZPXRAZYEJSBRQ-QMTHXVAHSA-N 2 1 238.375 1.756 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@H]1CCc3ncsc3C1)C2 ZINC001246869682 988628289 /nfs/dbraw/zinc/62/82/89/988628289.db2.gz NJCDCPILTBZTFS-AUTRQRHGSA-N 2 1 235.356 1.033 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@H]1CCc3ncsc3C1)C2 ZINC001246869682 988628300 /nfs/dbraw/zinc/62/83/00/988628300.db2.gz NJCDCPILTBZTFS-AUTRQRHGSA-N 2 1 235.356 1.033 20 0 BDADMP C[C@H]1C[C@@H](N2CC3(C2)CC[NH+](C)CC3)CC[NH2+]1 ZINC001246871863 988638629 /nfs/dbraw/zinc/63/86/29/988638629.db2.gz NYKBDOUHIUFJAO-STQMWFEESA-N 2 1 237.391 1.155 20 0 BDADMP CCC[N@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246897017 988668176 /nfs/dbraw/zinc/66/81/76/988668176.db2.gz IPAVYXHHANQKQK-GXTWGEPZSA-N 3 1 239.407 1.591 20 0 BDADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246897017 988668181 /nfs/dbraw/zinc/66/81/81/988668181.db2.gz IPAVYXHHANQKQK-GXTWGEPZSA-N 3 1 239.407 1.591 20 0 BDADMP CC(=O)[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246896222 988669565 /nfs/dbraw/zinc/66/95/65/988669565.db2.gz VWTYNNFRRCFKBC-ADEWGFFLSA-N 2 1 210.321 1.038 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2CCC[NH2+]C2)C1 ZINC001246910917 988699226 /nfs/dbraw/zinc/69/92/26/988699226.db2.gz LQUBVAMKZRDWBR-CHWSQXEVSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)[C@@H]2CC[C@H](C)NC2)CC1 ZINC001246918574 988717687 /nfs/dbraw/zinc/71/76/87/988717687.db2.gz LBNMSCZYNGKPOA-GFJIZPEISA-N 2 1 239.407 1.589 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CC[C@H](C)NC2)CC1 ZINC001246918574 988717710 /nfs/dbraw/zinc/71/77/10/988717710.db2.gz LBNMSCZYNGKPOA-GFJIZPEISA-N 2 1 239.407 1.589 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001246916070 988718072 /nfs/dbraw/zinc/71/80/72/988718072.db2.gz XFKRJSAEQOTIBM-ZDUSSCGKSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCc2c(N)cccc2C1 ZINC001246936724 988767595 /nfs/dbraw/zinc/76/75/95/988767595.db2.gz YJRUMFFSNIZFIX-NSHDSACASA-N 2 1 233.359 1.625 20 0 BDADMP CC[N@H+](C[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246944125 988779195 /nfs/dbraw/zinc/77/91/95/988779195.db2.gz UEMRPLGGUDBNDB-HABKJSAYSA-N 3 1 237.391 1.201 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246944125 988779205 /nfs/dbraw/zinc/77/92/05/988779205.db2.gz UEMRPLGGUDBNDB-HABKJSAYSA-N 3 1 237.391 1.201 20 0 BDADMP C1CC2(C[NH2+]1)CCC([N@H+]1C[C@@H]3CC[C@H]1CN3)CC2 ZINC001246944984 988779933 /nfs/dbraw/zinc/77/99/33/988779933.db2.gz UWUSWYJDYGSOGO-LQULJDIASA-N 2 1 249.402 1.345 20 0 BDADMP C1CC2(C[NH2+]1)CCC(N1C[C@@H]3CC[C@H]1C[NH2+]3)CC2 ZINC001246944984 988779944 /nfs/dbraw/zinc/77/99/44/988779944.db2.gz UWUSWYJDYGSOGO-LQULJDIASA-N 2 1 249.402 1.345 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1ccco1 ZINC001246976172 988804930 /nfs/dbraw/zinc/80/49/30/988804930.db2.gz YQGQIKFUODMPAQ-MNOVXSKESA-N 2 1 210.321 1.880 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1ccco1 ZINC001246976172 988804936 /nfs/dbraw/zinc/80/49/36/988804936.db2.gz YQGQIKFUODMPAQ-MNOVXSKESA-N 2 1 210.321 1.880 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C[C@H](C)N ZINC001246982458 988816913 /nfs/dbraw/zinc/81/69/13/988816913.db2.gz VMQPIFSUDSJREX-STQMWFEESA-N 2 1 229.412 1.776 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)N(C)C[C@H](C)[NH3+] ZINC001246982458 988816922 /nfs/dbraw/zinc/81/69/22/988816922.db2.gz VMQPIFSUDSJREX-STQMWFEESA-N 2 1 229.412 1.776 20 0 BDADMP C[N@H+]1CCN(C2CC[NH2+]CC2)C2(CCCC2)C1 ZINC001246993423 988824884 /nfs/dbraw/zinc/82/48/84/988824884.db2.gz NDFHCFLCAZRVHW-UHFFFAOYSA-N 2 1 237.391 1.299 20 0 BDADMP CC[N@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC001246996498 988828016 /nfs/dbraw/zinc/82/80/16/988828016.db2.gz ORGSNYDINBFDFJ-HABKJSAYSA-N 2 1 237.391 1.295 20 0 BDADMP Cc1ccnc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247506825 988907993 /nfs/dbraw/zinc/90/79/93/988907993.db2.gz HFCFAAGAAFBOGM-VIFPVBQESA-N 2 1 247.302 1.179 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C2CCC1(CO)CC2 ZINC000722987109 989058475 /nfs/dbraw/zinc/05/84/75/989058475.db2.gz SZOPZLILGPTXAV-HSBZDZAISA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+](C)CC1(CNc2cc(N)[nH+]cn2)CCCC1 ZINC001515639777 989083669 /nfs/dbraw/zinc/08/36/69/989083669.db2.gz GYTBIFZXNRSMRT-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP C[NH+](C)CC1(CNc2cc(N)nc[nH+]2)CCCC1 ZINC001515639777 989083682 /nfs/dbraw/zinc/08/36/82/989083682.db2.gz GYTBIFZXNRSMRT-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP Cc1cc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC001325272036 989137146 /nfs/dbraw/zinc/13/71/46/989137146.db2.gz HQKHEAJWFMWHNF-LLVKDONJSA-N 2 1 248.330 1.075 20 0 BDADMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1F ZINC001325273224 989139662 /nfs/dbraw/zinc/13/96/62/989139662.db2.gz QJHSFKJCPKFEHK-IUCAKERBSA-N 2 1 226.295 1.660 20 0 BDADMP Cc1cc(N)nc(NC[C@@H]2CCCC[N@H+]2C)[nH+]1 ZINC001516106117 989142940 /nfs/dbraw/zinc/14/29/40/989142940.db2.gz CSYPQIHIFGKZLW-JTQLQIEISA-N 2 1 235.335 1.263 20 0 BDADMP Cc1cc(N)nc(NC[C@@H]2CCCC[N@@H+]2C)[nH+]1 ZINC001516106117 989142947 /nfs/dbraw/zinc/14/29/47/989142947.db2.gz CSYPQIHIFGKZLW-JTQLQIEISA-N 2 1 235.335 1.263 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC001325719219 989236623 /nfs/dbraw/zinc/23/66/23/989236623.db2.gz VWBFDMRNCKPYQQ-UONOGXRCSA-N 3 1 241.423 1.825 20 0 BDADMP CCN1CCC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC001325719219 989236634 /nfs/dbraw/zinc/23/66/34/989236634.db2.gz VWBFDMRNCKPYQQ-UONOGXRCSA-N 2 1 241.423 1.825 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC001325718170 989238084 /nfs/dbraw/zinc/23/80/84/989238084.db2.gz QQENGEMTFHJQIE-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1C[N@@H+](CCOCC2CC2)CC[C@H]1C[NH3+] ZINC001119617603 989244603 /nfs/dbraw/zinc/24/46/03/989244603.db2.gz RQYCABCLNZTJKD-AAEUAGOBSA-N 2 1 226.364 1.330 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC001325744786 989249359 /nfs/dbraw/zinc/24/93/59/989249359.db2.gz VJDXWCHEBRZYDS-SYQHCUMBSA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+][C@H](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC001325744786 989249350 /nfs/dbraw/zinc/24/93/50/989249350.db2.gz VJDXWCHEBRZYDS-SYQHCUMBSA-N 2 1 239.407 1.447 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC001325744786 989249370 /nfs/dbraw/zinc/24/93/70/989249370.db2.gz VJDXWCHEBRZYDS-SYQHCUMBSA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+][C@H](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC001325744785 989250453 /nfs/dbraw/zinc/25/04/53/989250453.db2.gz VJDXWCHEBRZYDS-RQJABVFESA-N 2 1 239.407 1.447 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC001325744785 989250461 /nfs/dbraw/zinc/25/04/61/989250461.db2.gz VJDXWCHEBRZYDS-RQJABVFESA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC001325744785 989250469 /nfs/dbraw/zinc/25/04/69/989250469.db2.gz VJDXWCHEBRZYDS-RQJABVFESA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001119629801 989262967 /nfs/dbraw/zinc/26/29/67/989262967.db2.gz ATMMUILNTYNFRW-USZNOCQGSA-N 2 1 214.328 1.997 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCCC(F)(F)F)C[C@@H]2C1 ZINC001119959301 989511082 /nfs/dbraw/zinc/51/10/82/989511082.db2.gz IYTTXOKIULLNIL-AOOOYVTPSA-N 2 1 236.281 1.822 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCCC(F)(F)F)C[C@@H]2C1 ZINC001119959301 989511086 /nfs/dbraw/zinc/51/10/86/989511086.db2.gz IYTTXOKIULLNIL-AOOOYVTPSA-N 2 1 236.281 1.822 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@@H]2C1 ZINC001119959301 989511092 /nfs/dbraw/zinc/51/10/92/989511092.db2.gz IYTTXOKIULLNIL-AOOOYVTPSA-N 2 1 236.281 1.822 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@@H]2C1 ZINC001119959301 989511099 /nfs/dbraw/zinc/51/10/99/989511099.db2.gz IYTTXOKIULLNIL-AOOOYVTPSA-N 2 1 236.281 1.822 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2cccnc21 ZINC001326474462 989573429 /nfs/dbraw/zinc/57/34/29/989573429.db2.gz XSEDXRUQTPZIJE-WCQYABFASA-N 2 1 233.359 1.904 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc[nH]3)C[C@@H]2C1 ZINC001120072146 989586835 /nfs/dbraw/zinc/58/68/35/989586835.db2.gz RSUBSCMTIFAMAF-SGMGOOAPSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]cn3)C[C@@H]2C1 ZINC001120072146 989586842 /nfs/dbraw/zinc/58/68/42/989586842.db2.gz RSUBSCMTIFAMAF-SGMGOOAPSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]cn3)C[C@@H]2C1 ZINC001120072146 989586853 /nfs/dbraw/zinc/58/68/53/989586853.db2.gz RSUBSCMTIFAMAF-SGMGOOAPSA-N 2 1 248.374 1.572 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001120855503 989923796 /nfs/dbraw/zinc/92/37/96/989923796.db2.gz NKYOZKRHQFOHHM-GFCCVEGCSA-N 2 1 219.332 1.860 20 0 BDADMP C[C@H]1CCC[N@H+](CCNc2cc[nH+]c(N)n2)C1 ZINC001120883640 989947115 /nfs/dbraw/zinc/94/71/15/989947115.db2.gz KHCHEEZFNQSWHH-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP C[C@H]1CCC[N@@H+](CCNc2cc[nH+]c(N)n2)C1 ZINC001120883640 989947119 /nfs/dbraw/zinc/94/71/19/989947119.db2.gz KHCHEEZFNQSWHH-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001258103523 991018207 /nfs/dbraw/zinc/01/82/07/991018207.db2.gz ARGJMTDWMYAPEF-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001258103523 991018216 /nfs/dbraw/zinc/01/82/16/991018216.db2.gz ARGJMTDWMYAPEF-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001308556891 991034160 /nfs/dbraw/zinc/03/41/60/991034160.db2.gz NVWSJZTVCBUNHM-NEPJUHHUSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccco1 ZINC001258181298 991083590 /nfs/dbraw/zinc/08/35/90/991083590.db2.gz MKNWUJUCMDNPSY-MNOVXSKESA-N 2 1 210.321 1.737 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001138939086 991110341 /nfs/dbraw/zinc/11/03/41/991110341.db2.gz GESRCZVNAYKVHN-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1cn[nH]c1C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001308965968 991241262 /nfs/dbraw/zinc/24/12/62/991241262.db2.gz JZYAEBNKDVKOOI-LBPRGKRZSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1c[nH]nc1C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001308965968 991241271 /nfs/dbraw/zinc/24/12/71/991241271.db2.gz JZYAEBNKDVKOOI-LBPRGKRZSA-N 2 1 234.347 1.150 20 0 BDADMP CSC(C)(C)C[C@@H](C)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001258327836 991253684 /nfs/dbraw/zinc/25/36/84/991253684.db2.gz QRNONVBTPZKJQQ-IWSPIJDZSA-N 2 1 202.367 1.596 20 0 BDADMP COC(=O)CC[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258365476 991307164 /nfs/dbraw/zinc/30/71/64/991307164.db2.gz ZAURFAGZCPNPMD-JTQLQIEISA-N 2 1 239.319 1.289 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC2(CC)COC2)CC1 ZINC001202958188 991312377 /nfs/dbraw/zinc/31/23/77/991312377.db2.gz LJXSKPYOVUPLSY-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC2(CC)COC2)CC1 ZINC001202958188 991312383 /nfs/dbraw/zinc/31/23/83/991312383.db2.gz LJXSKPYOVUPLSY-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H](CC1CC1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258451065 991401276 /nfs/dbraw/zinc/40/12/76/991401276.db2.gz FNJYUIQKFZRIAG-GXSJLCMTSA-N 2 1 223.320 1.106 20 0 BDADMP Cc1cc(C[NH2+]CCC[NH+](C)C)cc(C)n1 ZINC001560247294 991442366 /nfs/dbraw/zinc/44/23/66/991442366.db2.gz SFMGGWMHWIRJCE-UHFFFAOYSA-N 2 1 221.348 1.740 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccnnc3)C2)C1 ZINC001139985825 991465571 /nfs/dbraw/zinc/46/55/71/991465571.db2.gz ZHIVADKQUPXOET-CYBMUJFWSA-N 2 1 232.331 1.004 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001258611679 991537901 /nfs/dbraw/zinc/53/79/01/991537901.db2.gz MTEVWCZHBGQPLJ-YPMHNXCESA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001258611679 991537912 /nfs/dbraw/zinc/53/79/12/991537912.db2.gz MTEVWCZHBGQPLJ-YPMHNXCESA-N 2 1 219.332 1.436 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]2(C)CO)CC1 ZINC001560759749 991589489 /nfs/dbraw/zinc/58/94/89/991589489.db2.gz LKDFZVHMTHVKBA-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+](Cc1ccncn1)CC1CC[NH+](C)CC1 ZINC001140347832 991617544 /nfs/dbraw/zinc/61/75/44/991617544.db2.gz XMBXHVKPGUHOLS-UHFFFAOYSA-N 2 1 234.347 1.250 20 0 BDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)n[nH]2)C1 ZINC001318629609 991688745 /nfs/dbraw/zinc/68/87/45/991688745.db2.gz FZWCRNRAOFVGMO-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)n[nH]2)C1 ZINC001318629609 991688749 /nfs/dbraw/zinc/68/87/49/991688749.db2.gz FZWCRNRAOFVGMO-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP CSC1(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CC1 ZINC001561028534 991693130 /nfs/dbraw/zinc/69/31/30/991693130.db2.gz LQQCUPBMWNBHBS-NEPJUHHUSA-N 2 1 240.416 1.766 20 0 BDADMP CSC1(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC001561028534 991693140 /nfs/dbraw/zinc/69/31/40/991693140.db2.gz LQQCUPBMWNBHBS-NEPJUHHUSA-N 2 1 240.416 1.766 20 0 BDADMP CSC1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1 ZINC001561028534 991693147 /nfs/dbraw/zinc/69/31/47/991693147.db2.gz LQQCUPBMWNBHBS-NEPJUHHUSA-N 2 1 240.416 1.766 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001258772513 991739132 /nfs/dbraw/zinc/73/91/32/991739132.db2.gz RAZBYGKXMZBKJB-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC([N@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001258772513 991739140 /nfs/dbraw/zinc/73/91/40/991739140.db2.gz RAZBYGKXMZBKJB-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001258772517 991741792 /nfs/dbraw/zinc/74/17/92/991741792.db2.gz RHFWLLGHOUPLDA-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)n1cnc(C[NH3+])n1 ZINC001258900740 991895316 /nfs/dbraw/zinc/89/53/16/991895316.db2.gz RMQFMSYJKSYLOO-LLVKDONJSA-N 2 1 239.367 1.420 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001261515287 992362844 /nfs/dbraw/zinc/36/28/44/992362844.db2.gz BORFXDWHWWVHNN-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2(CO)CCC2)CC1(C)C ZINC001261787338 992509014 /nfs/dbraw/zinc/50/90/14/992509014.db2.gz LNRSKOGOLPIFOD-NSHDSACASA-N 2 1 226.364 1.364 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC001262012188 992600261 /nfs/dbraw/zinc/60/02/61/992600261.db2.gz NYELIDKHUZHIKJ-CHWSQXEVSA-N 2 1 238.375 1.582 20 0 BDADMP COC1(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCC1 ZINC001262012188 992600267 /nfs/dbraw/zinc/60/02/67/992600267.db2.gz NYELIDKHUZHIKJ-CHWSQXEVSA-N 2 1 238.375 1.582 20 0 BDADMP COC1(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCC1 ZINC001262012188 992600271 /nfs/dbraw/zinc/60/02/71/992600271.db2.gz NYELIDKHUZHIKJ-CHWSQXEVSA-N 2 1 238.375 1.582 20 0 BDADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCF)CCC1 ZINC001262486365 992890128 /nfs/dbraw/zinc/89/01/28/992890128.db2.gz RTHMVCLMERUZPH-LLVKDONJSA-N 2 1 214.328 1.939 20 0 BDADMP C(NC[C@@H]1CC[N@H+]1C1CCCCC1)C1C[NH2+]C1 ZINC001574794565 992908284 /nfs/dbraw/zinc/90/82/84/992908284.db2.gz DWNORYCRNKSSME-AWEZNQCLSA-N 2 1 237.391 1.202 20 0 BDADMP C(CC1OCCCO1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001574816610 992917211 /nfs/dbraw/zinc/91/72/11/992917211.db2.gz JIIFNKQDFFMYQL-YPMHNXCESA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)(C)[C@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001575122741 992989572 /nfs/dbraw/zinc/98/95/72/992989572.db2.gz ALDOOSFNFMPDEF-YNEHKIRRSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[nH+]1 ZINC001262678472 993020708 /nfs/dbraw/zinc/02/07/08/993020708.db2.gz BBQZBJOSOQNQIQ-GHMZBOCLSA-N 2 1 247.346 1.406 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)[nH+]1 ZINC001262678472 993020718 /nfs/dbraw/zinc/02/07/18/993020718.db2.gz BBQZBJOSOQNQIQ-GHMZBOCLSA-N 2 1 247.346 1.406 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001575422871 993041100 /nfs/dbraw/zinc/04/11/00/993041100.db2.gz NSWVZKFVWTVERJ-RFQIPJPRSA-N 3 1 239.407 1.147 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001575422871 993041107 /nfs/dbraw/zinc/04/11/07/993041107.db2.gz NSWVZKFVWTVERJ-RFQIPJPRSA-N 2 1 239.407 1.147 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001575422871 993041114 /nfs/dbraw/zinc/04/11/14/993041114.db2.gz NSWVZKFVWTVERJ-RFQIPJPRSA-N 2 1 239.407 1.147 20 0 BDADMP Nc1nc(NC[C@@H]2CC[N@@H+]2C2CCCC2)cc[nH+]1 ZINC001262703348 993044098 /nfs/dbraw/zinc/04/40/98/993044098.db2.gz GESMAXYDFKALTG-NSHDSACASA-N 2 1 247.346 1.488 20 0 BDADMP Nc1nc(NC[C@@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC001262703348 993044108 /nfs/dbraw/zinc/04/41/08/993044108.db2.gz GESMAXYDFKALTG-NSHDSACASA-N 2 1 247.346 1.488 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC001575472065 993050126 /nfs/dbraw/zinc/05/01/26/993050126.db2.gz LOXKNUVZNPERDK-QWRGUYRKSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC001575470830 993050266 /nfs/dbraw/zinc/05/02/66/993050266.db2.gz DRIFULHFHNBIPY-GHMZBOCLSA-N 2 1 216.369 1.356 20 0 BDADMP CC(C)CC[N@@H+]1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001575574493 993077303 /nfs/dbraw/zinc/07/73/03/993077303.db2.gz LYDSVLRVBGESRU-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[N@H+]1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001575574493 993077306 /nfs/dbraw/zinc/07/73/06/993077306.db2.gz LYDSVLRVBGESRU-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C(C)(C)C[NH3+] ZINC001575941052 993134716 /nfs/dbraw/zinc/13/47/16/993134716.db2.gz HXOGJCCWJHKTDM-ZJUUUORDSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCCC1(C)OCCO1 ZINC001576149951 993191735 /nfs/dbraw/zinc/19/17/35/993191735.db2.gz PSIKWHMEPXPZGR-NSHDSACASA-N 2 1 230.352 1.199 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001576155712 993196438 /nfs/dbraw/zinc/19/64/38/993196438.db2.gz BOVWXTWFTJUBIG-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001576155712 993196444 /nfs/dbraw/zinc/19/64/44/993196444.db2.gz BOVWXTWFTJUBIG-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC1(F)F ZINC001576249927 993233433 /nfs/dbraw/zinc/23/34/33/993233433.db2.gz BSVPPKDZNQPNBB-LURQLKTLSA-N 2 1 204.264 1.228 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC1(F)F ZINC001576249928 993234080 /nfs/dbraw/zinc/23/40/80/993234080.db2.gz BSVPPKDZNQPNBB-RYPBNFRJSA-N 2 1 204.264 1.228 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C(=O)OC(C)(C)C ZINC001576246426 993234788 /nfs/dbraw/zinc/23/47/88/993234788.db2.gz WCLYGLDVULONBV-GARJFASQSA-N 2 1 242.363 1.434 20 0 BDADMP C[C@H]([NH2+]C[C@]1(C)C[NH2+]CCO1)C1CCC1 ZINC001576246178 993235029 /nfs/dbraw/zinc/23/50/29/993235029.db2.gz UONMSVJRCXDPSR-JQWIXIFHSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576268739 993242130 /nfs/dbraw/zinc/24/21/30/993242130.db2.gz FPHHUUZGAJFFCB-VOAKCMCISA-N 2 1 226.364 1.077 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000379581624 993255681 /nfs/dbraw/zinc/25/56/81/993255681.db2.gz KWURKAQCAJXSRR-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000379581623 993256387 /nfs/dbraw/zinc/25/63/87/993256387.db2.gz KWURKAQCAJXSRR-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001576393845 993288919 /nfs/dbraw/zinc/28/89/19/993288919.db2.gz LYBUEAIAVPJSBZ-AWEZNQCLSA-N 2 1 248.370 1.738 20 0 BDADMP CC1(C)C[N@@H+](CC2CCSCC2)C[C@H]1N ZINC001576457619 993312827 /nfs/dbraw/zinc/31/28/27/993312827.db2.gz KCDBMDXYUJUZMV-LLVKDONJSA-N 2 1 228.405 1.799 20 0 BDADMP CC1(C)C[N@@H+](CC2CCSCC2)C[C@H]1[NH3+] ZINC001576457619 993312841 /nfs/dbraw/zinc/31/28/41/993312841.db2.gz KCDBMDXYUJUZMV-LLVKDONJSA-N 2 1 228.405 1.799 20 0 BDADMP CC1(C)OC[C@@H](CC[N@@H+]2CCCC[C@@H]2C[NH3+])O1 ZINC001576495827 993321087 /nfs/dbraw/zinc/32/10/87/993321087.db2.gz WJJHOQVTAXMPKS-VXGBXAGGSA-N 2 1 242.363 1.341 20 0 BDADMP CC1(C)OC[C@@H](CC[N@H+]2CCCC[C@@H]2C[NH3+])O1 ZINC001576495827 993321090 /nfs/dbraw/zinc/32/10/90/993321090.db2.gz WJJHOQVTAXMPKS-VXGBXAGGSA-N 2 1 242.363 1.341 20 0 BDADMP CC12CC(C[N@H+]3CC[C@@H](CC[NH3+])C3)(C1)CO2 ZINC001576552932 993341251 /nfs/dbraw/zinc/34/12/51/993341251.db2.gz HTQOEYJQDMOKMJ-PNESKVBLSA-N 2 1 224.348 1.226 20 0 BDADMP CC1=CC[C@H]([NH2+]C[C@]2(C)C[NH2+]CCO2)CC1 ZINC001576556330 993342983 /nfs/dbraw/zinc/34/29/83/993342983.db2.gz OWXAEJKJFCSTIA-STQMWFEESA-N 2 1 224.348 1.453 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)CC[NH2+]1 ZINC001576598267 993362938 /nfs/dbraw/zinc/36/29/38/993362938.db2.gz NBCNMMFCCPFLQP-RQJABVFESA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001576623385 993374351 /nfs/dbraw/zinc/37/43/51/993374351.db2.gz KQBDHXUECULBAZ-KNZXXDILSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)C[NH2+]CCO2)CS1 ZINC001576669861 993388149 /nfs/dbraw/zinc/38/81/49/993388149.db2.gz AZXZIEYANGXJND-UTUOFQBUSA-N 2 1 244.404 1.239 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001576689650 993395678 /nfs/dbraw/zinc/39/56/78/993395678.db2.gz DSEBCOGKLPZIHM-BJJPWKGXSA-N 2 1 222.376 1.962 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1O ZINC001576729710 993409783 /nfs/dbraw/zinc/40/97/83/993409783.db2.gz WOOFAFUXVZMJER-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729687 993410574 /nfs/dbraw/zinc/41/05/74/993410574.db2.gz WCTPPPJWXGEMAD-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@](C)(CCO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001576949114 993466092 /nfs/dbraw/zinc/46/60/92/993466092.db2.gz SFBDTWPTOICQGM-IUCAKERBSA-N 2 1 242.285 1.407 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001576967831 993472673 /nfs/dbraw/zinc/47/26/73/993472673.db2.gz YLOOKAMIQVWPAQ-QJPTWQEYSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001576967831 993472676 /nfs/dbraw/zinc/47/26/76/993472676.db2.gz YLOOKAMIQVWPAQ-QJPTWQEYSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC ZINC001577089096 993492546 /nfs/dbraw/zinc/49/25/46/993492546.db2.gz JYAITAJTBGUJHC-SDDRHHMPSA-N 2 1 242.363 1.306 20 0 BDADMP CC[C@H](CO)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001577088422 993498619 /nfs/dbraw/zinc/49/86/19/993498619.db2.gz CHJLKTBRCRWQMS-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@@H](COC)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001577093041 993501122 /nfs/dbraw/zinc/50/11/22/993501122.db2.gz NGAWCTKVGZFQOS-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577220576 993546901 /nfs/dbraw/zinc/54/69/01/993546901.db2.gz HQBONKCNMMZECY-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577220575 993547877 /nfs/dbraw/zinc/54/78/77/993547877.db2.gz HQBONKCNMMZECY-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001577246464 993555882 /nfs/dbraw/zinc/55/58/82/993555882.db2.gz AEGNFKICNSHVGR-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001577241212 993557806 /nfs/dbraw/zinc/55/78/06/993557806.db2.gz ROFRVTXYAMURML-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)[C@@H]1C ZINC001577262171 993563477 /nfs/dbraw/zinc/56/34/77/993563477.db2.gz FNAVJCSMITZNKL-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC001577263955 993572624 /nfs/dbraw/zinc/57/26/24/993572624.db2.gz WBLVDIFUNPIVRQ-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1[NH3+] ZINC001577279780 993578702 /nfs/dbraw/zinc/57/87/02/993578702.db2.gz PYLQONCPZVKXFC-RYUDHWBXSA-N 2 1 235.331 1.346 20 0 BDADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)C[NH2+]C ZINC001577375252 993626268 /nfs/dbraw/zinc/62/62/68/993626268.db2.gz UPJVYWFYPJCAAE-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC001577403812 993645444 /nfs/dbraw/zinc/64/54/44/993645444.db2.gz JGFVIKUPYWAVSR-TUAOUCFPSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC001577403812 993645448 /nfs/dbraw/zinc/64/54/48/993645448.db2.gz JGFVIKUPYWAVSR-TUAOUCFPSA-N 2 1 241.379 1.055 20 0 BDADMP CCCNC(=O)CCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC001577539066 993680863 /nfs/dbraw/zinc/68/08/63/993680863.db2.gz SQZBSWPROFHCTF-ZDUSSCGKSA-N 2 1 243.395 1.256 20 0 BDADMP CCC[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C(=O)OC ZINC001577600963 993694647 /nfs/dbraw/zinc/69/46/47/993694647.db2.gz XGDAXXXXTIMEPS-GRYCIOLGSA-N 2 1 242.363 1.306 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000389311239 993741828 /nfs/dbraw/zinc/74/18/28/993741828.db2.gz BWQIALWSKYWTGF-OUAUKWLOSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000389311239 993741835 /nfs/dbraw/zinc/74/18/35/993741835.db2.gz BWQIALWSKYWTGF-OUAUKWLOSA-N 2 1 214.353 1.063 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000389286591 993743380 /nfs/dbraw/zinc/74/33/80/993743380.db2.gz WARGHUWWOUKJKQ-NXEZZACHSA-N 2 1 200.326 1.223 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H]2C2CC2)CC1 ZINC000390005693 993772436 /nfs/dbraw/zinc/77/24/36/993772436.db2.gz WLHSLBGUEDCEQV-AVGNSLFASA-N 2 1 208.349 1.859 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@](C)(CO)C2)C1 ZINC000702110317 993963415 /nfs/dbraw/zinc/96/34/15/993963415.db2.gz UFRCEXHADDUAAJ-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@](C)(CO)C2)C1 ZINC000702110317 993963421 /nfs/dbraw/zinc/96/34/21/993963421.db2.gz UFRCEXHADDUAAJ-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@](C)(CO)C2)C1 ZINC000702110317 993963427 /nfs/dbraw/zinc/96/34/27/993963427.db2.gz UFRCEXHADDUAAJ-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](C)CC1 ZINC000393884612 994017750 /nfs/dbraw/zinc/01/77/50/994017750.db2.gz QGAWUSCKNKJIQU-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H](C[NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394162637 994045998 /nfs/dbraw/zinc/04/59/98/994045998.db2.gz MANUGRIDDQCYCI-ACJTYDJDSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc[nH]c(=O)c1 ZINC001333764862 994517683 /nfs/dbraw/zinc/51/76/83/994517683.db2.gz PCPJCYIRHUUGKM-YPMHNXCESA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc[nH]c(=O)c1 ZINC001333764862 994517690 /nfs/dbraw/zinc/51/76/90/994517690.db2.gz PCPJCYIRHUUGKM-YPMHNXCESA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC001333764862 994517704 /nfs/dbraw/zinc/51/77/04/994517704.db2.gz PCPJCYIRHUUGKM-YPMHNXCESA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC001333764862 994517714 /nfs/dbraw/zinc/51/77/14/994517714.db2.gz PCPJCYIRHUUGKM-YPMHNXCESA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H](O)CCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308119800 995551183 /nfs/dbraw/zinc/55/11/83/995551183.db2.gz GVLYLCHDPGJTKM-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)CCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308119800 995551191 /nfs/dbraw/zinc/55/11/91/995551191.db2.gz GVLYLCHDPGJTKM-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308119800 995551203 /nfs/dbraw/zinc/55/12/03/995551203.db2.gz GVLYLCHDPGJTKM-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000123039203 398146443 /nfs/dbraw/zinc/14/64/43/398146443.db2.gz RBINFEJYMXXLQW-HAQNSBGRSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CCO ZINC000161765461 349503575 /nfs/dbraw/zinc/50/35/75/349503575.db2.gz CPJFBVIWRCCDNV-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CCO ZINC000161765461 349503577 /nfs/dbraw/zinc/50/35/77/349503577.db2.gz CPJFBVIWRCCDNV-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CCO ZINC000161765461 349503579 /nfs/dbraw/zinc/50/35/79/349503579.db2.gz CPJFBVIWRCCDNV-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H](CCO)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000649869974 398156639 /nfs/dbraw/zinc/15/66/39/398156639.db2.gz QYZCJBKHELDYPX-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)CCO ZINC000649869905 398156823 /nfs/dbraw/zinc/15/68/23/398156823.db2.gz PKIRLPNZNMYQDC-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)CCO ZINC000649869905 398156828 /nfs/dbraw/zinc/15/68/28/398156828.db2.gz PKIRLPNZNMYQDC-LBPRGKRZSA-N 2 1 239.363 1.674 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000422906080 398157310 /nfs/dbraw/zinc/15/73/10/398157310.db2.gz UECOTXCTSUZOLA-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000422906080 398157311 /nfs/dbraw/zinc/15/73/11/398157311.db2.gz UECOTXCTSUZOLA-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000336233894 178039394 /nfs/dbraw/zinc/03/93/94/178039394.db2.gz YGWXYWNGTLCZFV-RISCZKNCSA-N 2 1 233.359 1.820 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000422944065 398160396 /nfs/dbraw/zinc/16/03/96/398160396.db2.gz RKVXBKUNNZGNCA-CHWSQXEVSA-N 2 1 238.306 1.674 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])c1cccc(N2CCOCC2)c1 ZINC000423174052 398164379 /nfs/dbraw/zinc/16/43/79/398164379.db2.gz BCDQRRKMOPGVGI-LBPRGKRZSA-N 2 1 249.358 1.133 20 0 BDADMP Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc(C)[nH+]1 ZINC000302541972 178100417 /nfs/dbraw/zinc/10/04/17/178100417.db2.gz OCGGGGAVIPUAHA-GXFFZTMASA-N 2 1 248.374 1.870 20 0 BDADMP Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)nc(C)[nH+]1 ZINC000302541972 178100418 /nfs/dbraw/zinc/10/04/18/178100418.db2.gz OCGGGGAVIPUAHA-GXFFZTMASA-N 2 1 248.374 1.870 20 0 BDADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430920063 192027406 /nfs/dbraw/zinc/02/74/06/192027406.db2.gz NJGRDNBBAZIJNZ-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP CCC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000649391775 398195443 /nfs/dbraw/zinc/19/54/43/398195443.db2.gz ISBQUJRTLIBKIT-CYBMUJFWSA-N 2 1 239.363 1.674 20 0 BDADMP CCC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000649391775 398195446 /nfs/dbraw/zinc/19/54/46/398195446.db2.gz ISBQUJRTLIBKIT-CYBMUJFWSA-N 2 1 239.363 1.674 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1F ZINC000258685844 349516766 /nfs/dbraw/zinc/51/67/66/349516766.db2.gz FGRWCLVQPZUQMW-QMMMGPOBSA-N 2 1 214.259 1.649 20 0 BDADMP Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)cc[nH+]1 ZINC000292251911 178118359 /nfs/dbraw/zinc/11/83/59/178118359.db2.gz KGPYABOTOQEJID-CQSZACIVSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)on1 ZINC000069724158 398213918 /nfs/dbraw/zinc/21/39/18/398213918.db2.gz PFNUOIKBYHCJAU-LLVKDONJSA-N 2 1 223.320 1.544 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000649411955 398214341 /nfs/dbraw/zinc/21/43/41/398214341.db2.gz ZHKZZDVXLDMDQI-VXGBXAGGSA-N 3 1 234.347 1.199 20 0 BDADMP c1c[nH]c([C@@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000649411955 398214342 /nfs/dbraw/zinc/21/43/42/398214342.db2.gz ZHKZZDVXLDMDQI-VXGBXAGGSA-N 3 1 234.347 1.199 20 0 BDADMP CCC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000380977713 398215134 /nfs/dbraw/zinc/21/51/34/398215134.db2.gz BUJRTGCHQDVDSL-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP CCC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000380977713 398215135 /nfs/dbraw/zinc/21/51/35/398215135.db2.gz BUJRTGCHQDVDSL-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000126077438 398218193 /nfs/dbraw/zinc/21/81/93/398218193.db2.gz RRFRWROSVANPPV-CYBMUJFWSA-N 3 1 239.407 1.448 20 0 BDADMP Cc1cc(NCC2([NH+](C)C)CCC2)nc(C)[nH+]1 ZINC000097934208 178156009 /nfs/dbraw/zinc/15/60/09/178156009.db2.gz HLFULMFEKSHWFV-UHFFFAOYSA-N 2 1 234.347 1.990 20 0 BDADMP Cc1cc(NCC2(C)CC[NH2+]CC2)nc(C)[nH+]1 ZINC000129479492 178157277 /nfs/dbraw/zinc/15/72/77/178157277.db2.gz GBYTXVVBBFOBNY-UHFFFAOYSA-N 2 1 234.347 1.895 20 0 BDADMP Cc1cc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)on1 ZINC000647880347 398223232 /nfs/dbraw/zinc/22/32/32/398223232.db2.gz KLLUXWKVHGHEBT-RYUDHWBXSA-N 2 1 235.331 1.729 20 0 BDADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)on1 ZINC000647880347 398223233 /nfs/dbraw/zinc/22/32/33/398223233.db2.gz KLLUXWKVHGHEBT-RYUDHWBXSA-N 2 1 235.331 1.729 20 0 BDADMP CCC(CC)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336673927 168352077 /nfs/dbraw/zinc/35/20/77/168352077.db2.gz GWBYVMDWDFSQPB-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCn2ccnc2)CCN1C ZINC000162017505 349524114 /nfs/dbraw/zinc/52/41/14/349524114.db2.gz BHRVHZHDOJOYKJ-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCn2ccnc2)CC[N@@H+]1C ZINC000162017505 349524118 /nfs/dbraw/zinc/52/41/18/349524118.db2.gz BHRVHZHDOJOYKJ-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCn2ccnc2)CC[N@H+]1C ZINC000162017505 349524121 /nfs/dbraw/zinc/52/41/21/349524121.db2.gz BHRVHZHDOJOYKJ-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCn2ccnc2)CC[NH+]1C ZINC000162017505 349524125 /nfs/dbraw/zinc/52/41/25/349524125.db2.gz BHRVHZHDOJOYKJ-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCn2ccnc2)CC[NH+]1C ZINC000162017505 349524129 /nfs/dbraw/zinc/52/41/29/349524129.db2.gz BHRVHZHDOJOYKJ-OLZOCXBDSA-N 3 1 236.363 1.298 20 0 BDADMP Cc1cccc(CC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000280523412 538937801 /nfs/dbraw/zinc/93/78/01/538937801.db2.gz HWNNOBYIWZBGQT-UHFFFAOYSA-N 2 1 233.359 1.616 20 0 BDADMP Cc1cc([C@H]2CCC[N@H+]2CCOCC[NH3+])on1 ZINC000357079916 178265454 /nfs/dbraw/zinc/26/54/54/178265454.db2.gz LSOGRNNADPIIIK-LLVKDONJSA-N 2 1 239.319 1.095 20 0 BDADMP C[N@@H+](Cc1ccc(O)cc1)[C@H]1CN2CCC1CC2 ZINC000381236996 398239005 /nfs/dbraw/zinc/23/90/05/398239005.db2.gz JRZLBPFKHSBNFA-HNNXBMFYSA-N 2 1 246.354 1.918 20 0 BDADMP CN(Cc1ccc(O)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000381236996 398239008 /nfs/dbraw/zinc/23/90/08/398239008.db2.gz JRZLBPFKHSBNFA-HNNXBMFYSA-N 2 1 246.354 1.918 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000576528292 365618838 /nfs/dbraw/zinc/61/88/38/365618838.db2.gz FKFBUQQYOOBJBG-JTQLQIEISA-N 2 1 245.330 1.412 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000576584943 365630609 /nfs/dbraw/zinc/63/06/09/365630609.db2.gz PXOWKBNXOUOUHT-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000576584943 365630615 /nfs/dbraw/zinc/63/06/15/365630615.db2.gz PXOWKBNXOUOUHT-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000576584942 365632296 /nfs/dbraw/zinc/63/22/96/365632296.db2.gz PXOWKBNXOUOUHT-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000576584942 365632300 /nfs/dbraw/zinc/63/23/00/365632300.db2.gz PXOWKBNXOUOUHT-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCOCC2)[C@H](C)C1 ZINC000176000366 365641320 /nfs/dbraw/zinc/64/13/20/365641320.db2.gz MYMLIVURMNINHL-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000069860915 398255063 /nfs/dbraw/zinc/25/50/63/398255063.db2.gz JZQYGPWZPNDXLV-LBPRGKRZSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000381577355 398263720 /nfs/dbraw/zinc/26/37/20/398263720.db2.gz CRQBZJBJIJHEAT-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000381577355 398263723 /nfs/dbraw/zinc/26/37/23/398263723.db2.gz CRQBZJBJIJHEAT-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000188804532 346842165 /nfs/dbraw/zinc/84/21/65/346842165.db2.gz AXFBREMBSZDACD-RYUDHWBXSA-N 2 1 212.337 1.238 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000188804547 346842337 /nfs/dbraw/zinc/84/23/37/346842337.db2.gz AXFBREMBSZDACD-VXGBXAGGSA-N 2 1 212.337 1.238 20 0 BDADMP COCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190280 342752344 /nfs/dbraw/zinc/75/23/44/342752344.db2.gz LXNYVVLCWABEMQ-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190280 342752345 /nfs/dbraw/zinc/75/23/45/342752345.db2.gz LXNYVVLCWABEMQ-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838147 398284042 /nfs/dbraw/zinc/28/40/42/398284042.db2.gz JOGYLPHSCQKIFH-GRYCIOLGSA-N 2 1 219.332 1.669 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000232128609 342788281 /nfs/dbraw/zinc/78/82/81/342788281.db2.gz NUOPAWZFXQTITF-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129467514 398291378 /nfs/dbraw/zinc/29/13/78/398291378.db2.gz KFMASHHLPACFIR-GARJFASQSA-N 2 1 200.326 1.094 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129467514 398291381 /nfs/dbraw/zinc/29/13/81/398291381.db2.gz KFMASHHLPACFIR-GARJFASQSA-N 2 1 200.326 1.094 20 0 BDADMP CC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400406866 529399333 /nfs/dbraw/zinc/39/93/33/529399333.db2.gz RRWUDSRBGGOMOB-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632693 136241492 /nfs/dbraw/zinc/24/14/92/136241492.db2.gz IONBJLKQMMHLOA-OLZOCXBDSA-N 2 1 248.374 1.540 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632693 136241493 /nfs/dbraw/zinc/24/14/93/136241493.db2.gz IONBJLKQMMHLOA-OLZOCXBDSA-N 2 1 248.374 1.540 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632693 136241494 /nfs/dbraw/zinc/24/14/94/136241494.db2.gz IONBJLKQMMHLOA-OLZOCXBDSA-N 2 1 248.374 1.540 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392184294 539027965 /nfs/dbraw/zinc/02/79/65/539027965.db2.gz BTGSMQQEXPPXEV-UONOGXRCSA-N 2 1 238.375 1.796 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000335634109 136241734 /nfs/dbraw/zinc/24/17/34/136241734.db2.gz MFWBZADRNJSCRE-LSDHHAIUSA-N 2 1 245.370 1.903 20 0 BDADMP CC(C)n1cncc1C[NH2+]CCCN1CCC1 ZINC000564737990 323015728 /nfs/dbraw/zinc/01/57/28/323015728.db2.gz SZNXTROQPAMEHY-UHFFFAOYSA-N 2 1 236.363 1.649 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000335644848 136243341 /nfs/dbraw/zinc/24/33/41/136243341.db2.gz VHGJKBXHXDXMCZ-UONOGXRCSA-N 2 1 246.354 1.504 20 0 BDADMP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000036232718 342898482 /nfs/dbraw/zinc/89/84/82/342898482.db2.gz OTMXSLRGEFUZKU-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000036232718 342898483 /nfs/dbraw/zinc/89/84/83/342898483.db2.gz OTMXSLRGEFUZKU-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC12CCOCC2 ZINC000580541144 365689847 /nfs/dbraw/zinc/68/98/47/365689847.db2.gz CGAZCKJMSJJIFF-OLZOCXBDSA-N 2 1 240.391 1.909 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000628211000 398343295 /nfs/dbraw/zinc/34/32/95/398343295.db2.gz RWXWWDPRYYXDBS-LLVKDONJSA-N 2 1 246.314 1.593 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351816793 136255139 /nfs/dbraw/zinc/25/51/39/136255139.db2.gz SNTGQPADZXJHCM-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351816793 136255140 /nfs/dbraw/zinc/25/51/40/136255140.db2.gz SNTGQPADZXJHCM-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP CCc1cc(N2CCC[N@@H+](CCO)CC2)cc[nH+]1 ZINC000307776984 529531979 /nfs/dbraw/zinc/53/19/79/529531979.db2.gz IBZBULCZDGNMMG-UHFFFAOYSA-N 2 1 249.358 1.148 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000020139695 342971710 /nfs/dbraw/zinc/97/17/10/342971710.db2.gz DWVQVLMKQMHAKF-UHFFFAOYSA-N 2 1 219.332 1.656 20 0 BDADMP CSC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000308781221 346911195 /nfs/dbraw/zinc/91/11/95/346911195.db2.gz CUOGNDINFISMKT-PHIMTYICSA-N 2 1 226.389 1.423 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000383797608 349710063 /nfs/dbraw/zinc/71/00/63/349710063.db2.gz SEPOQSPWDPYURY-YRGRVCCFSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000383797608 349710068 /nfs/dbraw/zinc/71/00/68/349710068.db2.gz SEPOQSPWDPYURY-YRGRVCCFSA-N 2 1 240.391 1.610 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC12CCC2 ZINC000309499872 259343504 /nfs/dbraw/zinc/34/35/04/259343504.db2.gz LGOCXHXKOSRFOV-GFCCVEGCSA-N 2 1 219.332 1.885 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](CC1CC1)C(C)C ZINC000309242277 259342607 /nfs/dbraw/zinc/34/26/07/259342607.db2.gz LAGZLTFILWJZSI-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CC1)C(C)C ZINC000309242277 259342609 /nfs/dbraw/zinc/34/26/09/259342609.db2.gz LAGZLTFILWJZSI-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CC1)C(C)C ZINC000309242277 259342610 /nfs/dbraw/zinc/34/26/10/259342610.db2.gz LAGZLTFILWJZSI-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC1CC1)C(C)C ZINC000309242277 259342611 /nfs/dbraw/zinc/34/26/11/259342611.db2.gz LAGZLTFILWJZSI-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC1CC1)C(C)C ZINC000309242277 259342613 /nfs/dbraw/zinc/34/26/13/259342613.db2.gz LAGZLTFILWJZSI-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](CC1CC1)C(C)C ZINC000309242278 259342837 /nfs/dbraw/zinc/34/28/37/259342837.db2.gz LAGZLTFILWJZSI-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](CC1CC1)C(C)C ZINC000309242278 259342838 /nfs/dbraw/zinc/34/28/38/259342838.db2.gz LAGZLTFILWJZSI-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CC1)C(C)C ZINC000309242278 259342840 /nfs/dbraw/zinc/34/28/40/259342840.db2.gz LAGZLTFILWJZSI-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC1CC1)C(C)C ZINC000309242278 259342841 /nfs/dbraw/zinc/34/28/41/259342841.db2.gz LAGZLTFILWJZSI-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC1CC1)C(C)C ZINC000309242278 259342843 /nfs/dbraw/zinc/34/28/43/259342843.db2.gz LAGZLTFILWJZSI-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308863396 529659298 /nfs/dbraw/zinc/65/92/98/529659298.db2.gz CRIDPPUYDVFGOB-RWMBFGLXSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccncc1 ZINC000576834444 365699126 /nfs/dbraw/zinc/69/91/26/365699126.db2.gz LCCSOBDYMVZVSV-OCCSQVGLSA-N 2 1 233.359 1.826 20 0 BDADMP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000235926861 343067357 /nfs/dbraw/zinc/06/73/57/343067357.db2.gz WHVSWMFBOAZBGT-VHSXEESVSA-N 2 1 225.361 1.669 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000576838969 365702711 /nfs/dbraw/zinc/70/27/11/365702711.db2.gz XEQAKTCJDFIHGE-MJBXVCDLSA-N 2 1 241.423 1.966 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226413 323034520 /nfs/dbraw/zinc/03/45/20/323034520.db2.gz KUNMWKTYXSPHSW-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226413 323034521 /nfs/dbraw/zinc/03/45/21/323034521.db2.gz KUNMWKTYXSPHSW-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000121087345 343162868 /nfs/dbraw/zinc/16/28/68/343162868.db2.gz MNSMIPQVNFKLDU-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1cc(NCC[C@@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC000082487656 136276567 /nfs/dbraw/zinc/27/65/67/136276567.db2.gz XQQVSWILDZBQIF-NSHDSACASA-N 2 1 220.320 1.505 20 0 BDADMP CC1(C)C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)CCO1 ZINC000634684616 343217764 /nfs/dbraw/zinc/21/77/64/343217764.db2.gz VWFGRLHWQHJTBY-GHMZBOCLSA-N 2 1 249.358 1.814 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000401756891 343218440 /nfs/dbraw/zinc/21/84/40/343218440.db2.gz FJYNNWNIZFUFQQ-GFCCVEGCSA-N 2 1 249.358 1.654 20 0 BDADMP C[NH2+]CCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000087472140 136281529 /nfs/dbraw/zinc/28/15/29/136281529.db2.gz XRSMBHXDWMTEIV-LLVKDONJSA-N 2 1 207.321 1.684 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000087472140 136281530 /nfs/dbraw/zinc/28/15/30/136281530.db2.gz XRSMBHXDWMTEIV-LLVKDONJSA-N 2 1 207.321 1.684 20 0 BDADMP CCc1cc(NC[C@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC000087655238 136282215 /nfs/dbraw/zinc/28/22/15/136282215.db2.gz CNPCYIALXPXBNM-JTQLQIEISA-N 2 1 220.320 1.369 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000634687390 343239584 /nfs/dbraw/zinc/23/95/84/343239584.db2.gz JKVBWSKMDPIKEP-SMDDNHRTSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)O1 ZINC000634688270 343246549 /nfs/dbraw/zinc/24/65/49/343246549.db2.gz NMJDQOAJACJEDG-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C1CCC(OC)CC1 ZINC000164302121 136292045 /nfs/dbraw/zinc/29/20/45/136292045.db2.gz CAEFZQLUVFVEDV-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1nccn1CCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000348756353 136297448 /nfs/dbraw/zinc/29/74/48/136297448.db2.gz NUTQFUZYJFZTFQ-WCQYABFASA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000348756353 136297449 /nfs/dbraw/zinc/29/74/49/136297449.db2.gz NUTQFUZYJFZTFQ-WCQYABFASA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000348756353 136297450 /nfs/dbraw/zinc/29/74/50/136297450.db2.gz NUTQFUZYJFZTFQ-WCQYABFASA-N 3 1 236.363 1.251 20 0 BDADMP C[C@@H]1CN(CC[NH+]2CCCCC2)C[C@H](C)[N@@H+]1C ZINC000335635422 136300785 /nfs/dbraw/zinc/30/07/85/136300785.db2.gz VOUOPTGVTQCLFS-OKILXGFUSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000348914895 136307602 /nfs/dbraw/zinc/30/76/02/136307602.db2.gz ANRBGZHXSDFRRB-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000166217637 136309953 /nfs/dbraw/zinc/30/99/53/136309953.db2.gz BVLRQCZWGMHSIS-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000081715811 343422749 /nfs/dbraw/zinc/42/27/49/343422749.db2.gz DQOPOMRUZYOSCI-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)CC1=CCCOC1 ZINC000349360791 136343399 /nfs/dbraw/zinc/34/33/99/136343399.db2.gz AOLDJOUGJCNJCC-UHFFFAOYSA-N 2 1 240.391 1.997 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000380159861 343425628 /nfs/dbraw/zinc/42/56/28/343425628.db2.gz AKUPBCSDUTXZPN-WISYIIOYSA-N 2 1 212.337 1.094 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000380159861 343425629 /nfs/dbraw/zinc/42/56/29/343425629.db2.gz AKUPBCSDUTXZPN-WISYIIOYSA-N 2 1 212.337 1.094 20 0 BDADMP C[N@@H+](Cc1ccc2c[nH]nc2c1)C1CC[NH2+]CC1 ZINC000335713222 136336812 /nfs/dbraw/zinc/33/68/12/136336812.db2.gz IGWXKWCRVSOMCS-UHFFFAOYSA-N 2 1 244.342 1.747 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1CO ZINC000191481068 136362000 /nfs/dbraw/zinc/36/20/00/136362000.db2.gz QDDCOIBNEAWMOR-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC(C)SCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379498075 343568766 /nfs/dbraw/zinc/56/87/66/343568766.db2.gz HMDLDDIEFBJYHD-PHIMTYICSA-N 2 1 214.378 1.279 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1 ZINC000049329700 343595340 /nfs/dbraw/zinc/59/53/40/343595340.db2.gz UBNAULZBYQOOOX-UHFFFAOYSA-N 2 1 215.300 1.981 20 0 BDADMP C[C@@H]1C[C@H](NCc2ccc[nH]c2=O)CC[N@H+]1C ZINC000624258378 343623820 /nfs/dbraw/zinc/62/38/20/343623820.db2.gz IHSJNJQTUUDRAN-ZYHUDNBSSA-N 2 1 235.331 1.360 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@@H+]1C ZINC000624258378 343623822 /nfs/dbraw/zinc/62/38/22/343623822.db2.gz IHSJNJQTUUDRAN-ZYHUDNBSSA-N 2 1 235.331 1.360 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)CC ZINC000380037768 343672656 /nfs/dbraw/zinc/67/26/56/343672656.db2.gz SORUZXUWNOCDGF-RYUDHWBXSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000380037768 343672658 /nfs/dbraw/zinc/67/26/58/343672658.db2.gz SORUZXUWNOCDGF-RYUDHWBXSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000380037768 343672660 /nfs/dbraw/zinc/67/26/60/343672660.db2.gz SORUZXUWNOCDGF-RYUDHWBXSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000380037768 343672663 /nfs/dbraw/zinc/67/26/63/343672663.db2.gz SORUZXUWNOCDGF-RYUDHWBXSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000380037768 343672665 /nfs/dbraw/zinc/67/26/65/343672665.db2.gz SORUZXUWNOCDGF-RYUDHWBXSA-N 2 1 216.369 1.419 20 0 BDADMP Cc1nc(C)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000083825798 343675975 /nfs/dbraw/zinc/67/59/75/343675975.db2.gz ZAWQOQCTVQJLJI-GHMZBOCLSA-N 2 1 237.372 1.411 20 0 BDADMP C(C1CCCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287856 343718707 /nfs/dbraw/zinc/71/87/07/343718707.db2.gz CKKJXRJZHJWMFU-BETUJISGSA-N 2 1 208.349 1.718 20 0 BDADMP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000187879115 259370442 /nfs/dbraw/zinc/37/04/42/259370442.db2.gz LQGUNSNPUSZUJB-CRWXNKLISA-N 2 1 238.375 1.506 20 0 BDADMP CCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309203497 346991945 /nfs/dbraw/zinc/99/19/45/346991945.db2.gz RRDJVJNDLMTKPV-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309203497 346991947 /nfs/dbraw/zinc/99/19/47/346991947.db2.gz RRDJVJNDLMTKPV-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CCn1cc(CC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000621775572 343900138 /nfs/dbraw/zinc/90/01/38/343900138.db2.gz SAPPDESVNQCIMK-YPMHNXCESA-N 2 1 236.363 1.115 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000634732762 344107261 /nfs/dbraw/zinc/10/72/61/344107261.db2.gz OHMRNOFZLNSXAX-QWHCGFSZSA-N 2 1 239.407 1.354 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732871 344108217 /nfs/dbraw/zinc/10/82/17/344108217.db2.gz QTQRIECCKKDZLI-NSHDSACASA-N 2 1 236.363 1.288 20 0 BDADMP C[C@H]1C[C@H](CN[C@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000634733431 344113240 /nfs/dbraw/zinc/11/32/40/344113240.db2.gz FRKNAIIMWKJQFY-DGAVXFQQSA-N 2 1 237.391 1.106 20 0 BDADMP C[N@H+](C[C@@H](O)CN(C1CC1)C1CC1)C1CC1 ZINC000625841814 344093341 /nfs/dbraw/zinc/09/33/41/344093341.db2.gz RBTBOZHVRAVEOV-CYBMUJFWSA-N 2 1 224.348 1.068 20 0 BDADMP OCc1ccnc(N[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000641316307 362360972 /nfs/dbraw/zinc/36/09/72/362360972.db2.gz QOMYLKYHPCXQEE-LLVKDONJSA-N 2 1 244.298 1.197 20 0 BDADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCSC3)CC[N@H+]2C1 ZINC000130141691 344219052 /nfs/dbraw/zinc/21/90/52/344219052.db2.gz SDIQOBDQBHHNPB-IJLUTSLNSA-N 2 1 226.389 1.708 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000093214228 344312205 /nfs/dbraw/zinc/31/22/05/344312205.db2.gz NYXRRGMRAVJIGN-DGCLKSJQSA-N 2 1 237.391 1.473 20 0 BDADMP CC1CC[NH+](CCN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093215417 344312352 /nfs/dbraw/zinc/31/23/52/344312352.db2.gz QPQRYNBTQJTFQN-UONOGXRCSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCCc2ccccc2C1 ZINC000093232478 344312795 /nfs/dbraw/zinc/31/27/95/344312795.db2.gz MYVXFDVEQLVAAG-UHFFFAOYSA-N 2 1 234.343 1.410 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780164 344315538 /nfs/dbraw/zinc/31/55/38/344315538.db2.gz VDXRPBYLULBCQK-OKILXGFUSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780164 344315539 /nfs/dbraw/zinc/31/55/39/344315539.db2.gz VDXRPBYLULBCQK-OKILXGFUSA-N 2 1 249.358 1.550 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779969 344316322 /nfs/dbraw/zinc/31/63/22/344316322.db2.gz NHIJXJSQLUBXDD-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779969 344316324 /nfs/dbraw/zinc/31/63/24/344316324.db2.gz NHIJXJSQLUBXDD-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779969 344316325 /nfs/dbraw/zinc/31/63/25/344316325.db2.gz NHIJXJSQLUBXDD-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP CC(C)OCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133301673 344317191 /nfs/dbraw/zinc/31/71/91/344317191.db2.gz LVCTYKMDRVHYIC-GFCCVEGCSA-N 2 1 216.369 1.717 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000600708207 344361188 /nfs/dbraw/zinc/36/11/88/344361188.db2.gz DOAJRFRZNZYDBU-NEPJUHHUSA-N 2 1 242.363 1.246 20 0 BDADMP COC(=O)CCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000600711900 344361663 /nfs/dbraw/zinc/36/16/63/344361663.db2.gz UEYXZMUFHIQNKJ-NTZNESFSSA-N 2 1 242.363 1.306 20 0 BDADMP COC(=O)CCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000600711898 344361667 /nfs/dbraw/zinc/36/16/67/344361667.db2.gz UEYXZMUFHIQNKJ-GMXVVIOVSA-N 2 1 242.363 1.306 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000336777843 537846762 /nfs/dbraw/zinc/84/67/62/537846762.db2.gz JRDFILJSTNYRNB-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CSCCCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380972195 344462445 /nfs/dbraw/zinc/46/24/45/344462445.db2.gz ATCJLSRDFJRYAX-LBPRGKRZSA-N 2 1 246.420 1.174 20 0 BDADMP CSCCCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380972195 344462447 /nfs/dbraw/zinc/46/24/47/344462447.db2.gz ATCJLSRDFJRYAX-LBPRGKRZSA-N 2 1 246.420 1.174 20 0 BDADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158242644 344570013 /nfs/dbraw/zinc/57/00/13/344570013.db2.gz WDUPICAVDWSCGT-MNOVXSKESA-N 2 1 242.363 1.258 20 0 BDADMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000158331801 344600811 /nfs/dbraw/zinc/60/08/11/344600811.db2.gz CBWIZCVEBLDYQF-UHFFFAOYSA-N 2 1 237.347 1.507 20 0 BDADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000158331801 344600812 /nfs/dbraw/zinc/60/08/12/344600812.db2.gz CBWIZCVEBLDYQF-UHFFFAOYSA-N 2 1 237.347 1.507 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000400002280 344747605 /nfs/dbraw/zinc/74/76/05/344747605.db2.gz OMLPVYFWEFNROD-CHWSQXEVSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400002280 344747609 /nfs/dbraw/zinc/74/76/09/344747609.db2.gz OMLPVYFWEFNROD-CHWSQXEVSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400002280 344747611 /nfs/dbraw/zinc/74/76/11/344747611.db2.gz OMLPVYFWEFNROD-CHWSQXEVSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000050403600 344817637 /nfs/dbraw/zinc/81/76/37/344817637.db2.gz LELKNFUWQFFUAA-QWRGUYRKSA-N 2 1 202.342 1.077 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(C)c1 ZINC000077435006 344824092 /nfs/dbraw/zinc/82/40/92/344824092.db2.gz KQYFHVCTDPUIDF-UHFFFAOYSA-N 2 1 233.319 1.105 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CC1 ZINC000154882587 345055023 /nfs/dbraw/zinc/05/50/23/345055023.db2.gz GBQBQIORGNBSGN-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074867 345123692 /nfs/dbraw/zinc/12/36/92/345123692.db2.gz DZQUXGUXGJWKFP-ZIAGYGMSSA-N 3 1 239.407 1.545 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000156522759 345172096 /nfs/dbraw/zinc/17/20/96/345172096.db2.gz UOMGJVAUOMWZBN-CYBMUJFWSA-N 2 1 224.348 1.051 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000634990789 345173298 /nfs/dbraw/zinc/17/32/98/345173298.db2.gz CMBDKVFGYJQGAF-YNEHKIRRSA-N 3 1 227.396 1.277 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000634990789 345173299 /nfs/dbraw/zinc/17/32/99/345173299.db2.gz CMBDKVFGYJQGAF-YNEHKIRRSA-N 3 1 227.396 1.277 20 0 BDADMP C[C@@H]1C[C@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000634993556 345190443 /nfs/dbraw/zinc/19/04/43/345190443.db2.gz XZWFECVFEIZUIR-NELGMTEASA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CC13CC(C1)C[NH2+]3)CC[NH2+]CC2 ZINC000634996346 345187578 /nfs/dbraw/zinc/18/75/78/345187578.db2.gz HMLQUJIBXMJLJO-DNOWBOINSA-N 3 1 249.402 1.202 20 0 BDADMP C[C@@H]1CC2(CN1CC13CC(C1)C[NH2+]3)CC[NH2+]CC2 ZINC000634996346 345187581 /nfs/dbraw/zinc/18/75/81/345187581.db2.gz HMLQUJIBXMJLJO-DNOWBOINSA-N 2 1 249.402 1.202 20 0 BDADMP COC[C@@H](CC(C)(C)C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996285 345187744 /nfs/dbraw/zinc/18/77/44/345187744.db2.gz FPIDMQSZDCACRI-MBHSVXNSSA-N 2 1 240.391 1.779 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000634997669 345193256 /nfs/dbraw/zinc/19/32/56/345193256.db2.gz QEWXQWOXVFHYQF-JHJVBQTASA-N 3 1 225.380 1.031 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000634997669 345193258 /nfs/dbraw/zinc/19/32/58/345193258.db2.gz QEWXQWOXVFHYQF-JHJVBQTASA-N 3 1 225.380 1.031 20 0 BDADMP CCCn1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000634999076 345199700 /nfs/dbraw/zinc/19/97/00/345199700.db2.gz PQGBIPCBXFHUTA-WCQYABFASA-N 2 1 236.363 1.320 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000635003520 345206208 /nfs/dbraw/zinc/20/62/08/345206208.db2.gz DNZAVBPGNZRGEJ-SJHCENCUSA-N 2 1 226.364 1.673 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635003464 345206499 /nfs/dbraw/zinc/20/64/99/345206499.db2.gz JWDQIMVGSMQFTE-GJZGRUSLSA-N 3 1 245.370 1.302 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000635009768 345211894 /nfs/dbraw/zinc/21/18/94/345211894.db2.gz ZIIBUGMLFQVTDU-RWMBFGLXSA-N 2 1 239.407 1.482 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCCF)CC[C@@H]21 ZINC000158481378 345338459 /nfs/dbraw/zinc/33/84/59/345338459.db2.gz HEOIZCGOJGKGKD-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC000158481378 345338464 /nfs/dbraw/zinc/33/84/64/345338464.db2.gz HEOIZCGOJGKGKD-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC000158481378 345338466 /nfs/dbraw/zinc/33/84/66/345338466.db2.gz HEOIZCGOJGKGKD-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158635072 345358129 /nfs/dbraw/zinc/35/81/29/345358129.db2.gz OQBXLCQPYUAFCY-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626115145 345328319 /nfs/dbraw/zinc/32/83/19/345328319.db2.gz HJIKIYRXWMFXJO-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626115145 345328323 /nfs/dbraw/zinc/32/83/23/345328323.db2.gz HJIKIYRXWMFXJO-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC2(CC2)CC1 ZINC000626115145 345328326 /nfs/dbraw/zinc/32/83/26/345328326.db2.gz HJIKIYRXWMFXJO-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000335590997 345412299 /nfs/dbraw/zinc/41/22/99/345412299.db2.gz HVIPPHYBNQWAOD-CYBMUJFWSA-N 2 1 234.343 1.870 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000335604840 345418496 /nfs/dbraw/zinc/41/84/96/345418496.db2.gz UBJYWOZQMWTWKG-ZYHUDNBSSA-N 2 1 214.328 1.951 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641712008 362622703 /nfs/dbraw/zinc/62/27/03/362622703.db2.gz HLUGQEXQEGIWSG-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641712008 362622705 /nfs/dbraw/zinc/62/27/05/362622705.db2.gz HLUGQEXQEGIWSG-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000224539738 535004690 /nfs/dbraw/zinc/00/46/90/535004690.db2.gz WQZLGIKGXFYPHX-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP CN(CC[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000220673566 345746737 /nfs/dbraw/zinc/74/67/37/345746737.db2.gz ODHLGQIKQVIIHZ-UHFFFAOYSA-N 2 1 247.386 1.807 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)OCC1CC1 ZINC000428029921 345704540 /nfs/dbraw/zinc/70/45/40/345704540.db2.gz GBUCCUOGHLHEAY-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)OCC1CC1 ZINC000428029921 345704543 /nfs/dbraw/zinc/70/45/43/345704543.db2.gz GBUCCUOGHLHEAY-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1ncccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000205064594 345733067 /nfs/dbraw/zinc/73/30/67/345733067.db2.gz ULNQJKUEXHIVLC-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000563268855 323107205 /nfs/dbraw/zinc/10/72/05/323107205.db2.gz NCTSPJLLKYKPTC-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP Cc1nc(C)c(C[NH2+]CC2=CC[N@@H+](C)CC2)o1 ZINC000628231830 346184724 /nfs/dbraw/zinc/18/47/24/346184724.db2.gz CNOYZQDWLMLBEG-UHFFFAOYSA-N 2 1 235.331 1.643 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@]3(C)CCCS3)C[C@@H]2C1 ZINC000628253308 346229457 /nfs/dbraw/zinc/22/94/57/346229457.db2.gz BEIXDWSRMWYCSA-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000090320178 537956709 /nfs/dbraw/zinc/95/67/09/537956709.db2.gz JWDMZEPQKBGVOJ-CHWSQXEVSA-N 2 1 234.318 1.785 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000641747575 362674493 /nfs/dbraw/zinc/67/44/93/362674493.db2.gz LKVFVMOQIGRLLC-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000641747575 362674500 /nfs/dbraw/zinc/67/45/00/362674500.db2.gz LKVFVMOQIGRLLC-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP Nc1cnccc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000641755526 362681549 /nfs/dbraw/zinc/68/15/49/362681549.db2.gz LQEOAIDNIVUOPK-SNVBAGLBSA-N 2 1 243.314 1.034 20 0 BDADMP CC[N@H+](CC[NH2+]C[C@H](C)COC)C(C)C ZINC000380316683 346366295 /nfs/dbraw/zinc/36/62/95/346366295.db2.gz JCGUFTMUJIKPGX-LBPRGKRZSA-N 2 1 216.369 1.589 20 0 BDADMP CC[N@@H+](CC[NH2+]C[C@H](C)COC)C(C)C ZINC000380316683 346366298 /nfs/dbraw/zinc/36/62/98/346366298.db2.gz JCGUFTMUJIKPGX-LBPRGKRZSA-N 2 1 216.369 1.589 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000641805627 362763423 /nfs/dbraw/zinc/76/34/23/362763423.db2.gz FWSRSSLFMQDKSM-MBNYWOFBSA-N 2 1 239.407 1.434 20 0 BDADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)nc1 ZINC000641802113 362757684 /nfs/dbraw/zinc/75/76/84/362757684.db2.gz IDXQOXFBSRDRLB-CHWSQXEVSA-N 2 1 249.358 1.696 20 0 BDADMP Cc1cccc(N2CC[C@@H]([C@H](C)[NH3+])C2)[nH+]1 ZINC000228166087 179122684 /nfs/dbraw/zinc/12/26/84/179122684.db2.gz MXJVJLSFEVCABE-WDEREUQCSA-N 2 1 205.305 1.564 20 0 BDADMP CCC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000310391819 323130959 /nfs/dbraw/zinc/13/09/59/323130959.db2.gz LDBXPCXUBMPYDC-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000310391819 323130960 /nfs/dbraw/zinc/13/09/60/323130960.db2.gz LDBXPCXUBMPYDC-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CCn1ccnc1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000577151621 365839263 /nfs/dbraw/zinc/83/92/63/365839263.db2.gz JKMOHSVFHGAPIZ-JTQLQIEISA-N 2 1 245.330 1.273 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C=CCCC1)C1CC1 ZINC000562991447 346717779 /nfs/dbraw/zinc/71/77/79/346717779.db2.gz OSBCUJZMHGJAFR-AAEUAGOBSA-N 2 1 224.348 1.140 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C=CCCC1)C1CC1 ZINC000562991447 346717782 /nfs/dbraw/zinc/71/77/82/346717782.db2.gz OSBCUJZMHGJAFR-AAEUAGOBSA-N 2 1 224.348 1.140 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121011 346682653 /nfs/dbraw/zinc/68/26/53/346682653.db2.gz LNQHZYYARYMFQB-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121014 346683096 /nfs/dbraw/zinc/68/30/96/346683096.db2.gz LNQHZYYARYMFQB-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2nccn21 ZINC000577191632 365870705 /nfs/dbraw/zinc/87/07/05/365870705.db2.gz RITUCCYQHMSITM-RHYQMDGZSA-N 2 1 234.347 1.748 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000582062273 347160181 /nfs/dbraw/zinc/16/01/81/347160181.db2.gz APPYGLXUGVAWFY-DGAVXFQQSA-N 2 1 238.375 1.485 20 0 BDADMP Cc1ncccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401764389 362778403 /nfs/dbraw/zinc/77/84/03/362778403.db2.gz FEONOUOGZPWDCQ-UHFFFAOYSA-N 2 1 230.315 1.456 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000380705456 347249374 /nfs/dbraw/zinc/24/93/74/347249374.db2.gz LVUYFVGNAASBBX-GWCFXTLKSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000380705456 347249377 /nfs/dbraw/zinc/24/93/77/347249377.db2.gz LVUYFVGNAASBBX-GWCFXTLKSA-N 2 1 219.332 1.702 20 0 BDADMP CO[C@H]([C@@H](C)[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000388278712 347286706 /nfs/dbraw/zinc/28/67/06/347286706.db2.gz KRQCKVCHYZUQLP-ZWNOBZJWSA-N 2 1 226.364 1.484 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)C2CC2)CC1 ZINC000388244373 347261180 /nfs/dbraw/zinc/26/11/80/347261180.db2.gz SASNVKORVBKIHR-BXUZGUMPSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000187707967 347263766 /nfs/dbraw/zinc/26/37/66/347263766.db2.gz ORFFOZQDTCDUIT-BFHYXJOUSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000187707967 347263768 /nfs/dbraw/zinc/26/37/68/347263768.db2.gz ORFFOZQDTCDUIT-BFHYXJOUSA-N 2 1 242.407 1.979 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000250728768 362818696 /nfs/dbraw/zinc/81/86/96/362818696.db2.gz JZDLYSKDBHDECT-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000304331519 323164048 /nfs/dbraw/zinc/16/40/48/323164048.db2.gz VGESERPXXUIVPQ-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000304331519 323164049 /nfs/dbraw/zinc/16/40/49/323164049.db2.gz VGESERPXXUIVPQ-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP COC(=O)C(C)(C)CC[N@@H+](C)CCC[NH+](C)C ZINC000577306269 365923705 /nfs/dbraw/zinc/92/37/05/365923705.db2.gz WDVYEYFYBVMCMU-UHFFFAOYSA-N 2 1 244.379 1.459 20 0 BDADMP CN(C)[C@H](C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000038040618 348032598 /nfs/dbraw/zinc/03/25/98/348032598.db2.gz TUWHQBHPMQZSNW-OAHLLOKOSA-N 2 1 247.386 1.631 20 0 BDADMP Cc1cccnc1C[NH+]1CCC([NH3+])CC1 ZINC000070909025 179373247 /nfs/dbraw/zinc/37/32/47/179373247.db2.gz AWMYCNVDJREHJY-UHFFFAOYSA-N 2 1 205.305 1.313 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000251616471 362891777 /nfs/dbraw/zinc/89/17/77/362891777.db2.gz DFJDEWLDPOFHRD-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@H]1[NH3+] ZINC000251733423 362903908 /nfs/dbraw/zinc/90/39/08/362903908.db2.gz KKIYSSXHIBHNQU-MWLCHTKSSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000398566644 323186676 /nfs/dbraw/zinc/18/66/76/323186676.db2.gz DSOIASNLXATGBD-AAVRWANBSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)(C)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000261596315 535074706 /nfs/dbraw/zinc/07/47/06/535074706.db2.gz YSCONEGAKLMLSV-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP C[C@H]1CC[N@@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000253192693 348446220 /nfs/dbraw/zinc/44/62/20/348446220.db2.gz NNVRMDKQDSEFFF-GXTWGEPZSA-N 2 1 233.359 1.541 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623504347 362928917 /nfs/dbraw/zinc/92/89/17/362928917.db2.gz KLBUXXFZUJCILP-SDDRHHMPSA-N 2 1 228.380 1.872 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)C1(C(=O)OC)CCC1 ZINC000596655359 348599651 /nfs/dbraw/zinc/59/96/51/348599651.db2.gz VWDVJQOZWRUXNZ-QWRGUYRKSA-N 2 1 242.363 1.306 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000596655491 348600247 /nfs/dbraw/zinc/60/02/47/348600247.db2.gz WBNHYWZQNOOEDL-NNYUYHANSA-N 2 1 242.363 1.162 20 0 BDADMP C[C@@H]([NH3+])CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000420155778 192165034 /nfs/dbraw/zinc/16/50/34/192165034.db2.gz LTIBNTPRVKDZGJ-LLVKDONJSA-N 2 1 249.362 1.038 20 0 BDADMP CCC[N@@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669383814 538012394 /nfs/dbraw/zinc/01/23/94/538012394.db2.gz YKPMPYOSZQSSML-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([NH2+]C)C1 ZINC000420139607 192169740 /nfs/dbraw/zinc/16/97/40/192169740.db2.gz BPXDSKXTDXLHCA-JTQLQIEISA-N 2 1 249.314 1.056 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250822611 349180190 /nfs/dbraw/zinc/18/01/90/349180190.db2.gz GNLYEMQICJFHKK-XJFOESAGSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@H]1CCCO1 ZINC000251697418 349173155 /nfs/dbraw/zinc/17/31/55/349173155.db2.gz BCDMCJMCPHYNAA-GRYCIOLGSA-N 2 1 212.337 1.367 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253113847 349224245 /nfs/dbraw/zinc/22/42/45/349224245.db2.gz HRWRJVQERLJKAI-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253113847 349224248 /nfs/dbraw/zinc/22/42/48/349224248.db2.gz HRWRJVQERLJKAI-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2=CCCOC2)CC1(C)C ZINC000623525353 362944776 /nfs/dbraw/zinc/94/47/76/362944776.db2.gz HQUYGJWPZWZCMY-CYBMUJFWSA-N 2 1 238.375 1.796 20 0 BDADMP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000309045592 349402321 /nfs/dbraw/zinc/40/23/21/349402321.db2.gz OIRYCBVMCXLEEA-NEPJUHHUSA-N 2 1 212.337 1.238 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309036704 349370290 /nfs/dbraw/zinc/37/02/90/349370290.db2.gz GPHJDHVDYPILDO-IJLUTSLNSA-N 2 1 214.353 1.186 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)COC)C1 ZINC000121866239 350014045 /nfs/dbraw/zinc/01/40/45/350014045.db2.gz GLDMTLVYEQXYEV-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000581661114 350038971 /nfs/dbraw/zinc/03/89/71/350038971.db2.gz MCWNXPHLWPSYCG-NOOOWODRSA-N 2 1 212.337 1.413 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000132839893 191035740 /nfs/dbraw/zinc/03/57/40/191035740.db2.gz HKAYVYSDAUZCST-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314968484 350175322 /nfs/dbraw/zinc/17/53/22/350175322.db2.gz WIDMJUDGMDUUAO-DGCLKSJQSA-N 2 1 237.347 1.367 20 0 BDADMP CN(C)c1cc(NC(=O)C[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000427289715 191058767 /nfs/dbraw/zinc/05/87/67/191058767.db2.gz WFOYFZAEYUZURZ-JTQLQIEISA-N 2 1 248.330 1.086 20 0 BDADMP CC(C)[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000396005615 323281882 /nfs/dbraw/zinc/28/18/82/323281882.db2.gz ZDOQZXCPMPKRSF-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](COC)C(C)C)CC1 ZINC000083397887 350194953 /nfs/dbraw/zinc/19/49/53/350194953.db2.gz LBKPWIGGIIAIIM-CYBMUJFWSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1ncccc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310086453 180223525 /nfs/dbraw/zinc/22/35/25/180223525.db2.gz HATPEEXQYDLNOU-RISCZKNCSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000310086453 180223526 /nfs/dbraw/zinc/22/35/26/180223526.db2.gz HATPEEXQYDLNOU-RISCZKNCSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310086453 180223528 /nfs/dbraw/zinc/22/35/28/180223528.db2.gz HATPEEXQYDLNOU-RISCZKNCSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310086453 180223532 /nfs/dbraw/zinc/22/35/32/180223532.db2.gz HATPEEXQYDLNOU-RISCZKNCSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373512120 180234625 /nfs/dbraw/zinc/23/46/25/180234625.db2.gz HGYKKDRHILLOBL-CYBMUJFWSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373512120 180234627 /nfs/dbraw/zinc/23/46/27/180234627.db2.gz HGYKKDRHILLOBL-CYBMUJFWSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361404316 180239090 /nfs/dbraw/zinc/23/90/90/180239090.db2.gz RRQJOOGOYLITAH-GFCCVEGCSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)C1(C)C ZINC000361404316 180239091 /nfs/dbraw/zinc/23/90/91/180239091.db2.gz RRQJOOGOYLITAH-GFCCVEGCSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nccn1C ZINC000338008791 180247086 /nfs/dbraw/zinc/24/70/86/180247086.db2.gz FGCQWMNEUAUQMW-LLVKDONJSA-N 2 1 247.346 1.666 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000336726016 180240532 /nfs/dbraw/zinc/24/05/32/180240532.db2.gz UGKYQHRFTMQVKL-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000336726016 180240533 /nfs/dbraw/zinc/24/05/33/180240533.db2.gz UGKYQHRFTMQVKL-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(SC)CC1 ZINC000309274402 350252405 /nfs/dbraw/zinc/25/24/05/350252405.db2.gz RTXIDCIDBCTTMM-LLVKDONJSA-N 2 1 246.420 1.126 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(SC)CC1 ZINC000309274402 350252409 /nfs/dbraw/zinc/25/24/09/350252409.db2.gz RTXIDCIDBCTTMM-LLVKDONJSA-N 2 1 246.420 1.126 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124639053 180241481 /nfs/dbraw/zinc/24/14/81/180241481.db2.gz AFNDXKLRIFKONI-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](C)(O)C1 ZINC000124639053 180241482 /nfs/dbraw/zinc/24/14/82/180241482.db2.gz AFNDXKLRIFKONI-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1CC1 ZINC000309153146 180245533 /nfs/dbraw/zinc/24/55/33/180245533.db2.gz WUMARZKACDJSFA-JTQLQIEISA-N 2 1 207.321 1.970 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623534055 362952563 /nfs/dbraw/zinc/95/25/63/362952563.db2.gz VRMCXOWWFYSXEE-NEPJUHHUSA-N 2 1 242.407 1.998 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CCSC1 ZINC000226377355 180260971 /nfs/dbraw/zinc/26/09/71/180260971.db2.gz FHNUMQOYUFDSGH-NSHDSACASA-N 2 1 225.361 1.534 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCO)C(C)C ZINC000227011857 180262508 /nfs/dbraw/zinc/26/25/08/180262508.db2.gz XVAOBLPZZVFSQY-GFCCVEGCSA-N 2 1 225.336 1.188 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000427698872 191089397 /nfs/dbraw/zinc/08/93/97/191089397.db2.gz RDZWEZMITDSZFL-HTOAHKCRSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000427698872 191089400 /nfs/dbraw/zinc/08/94/00/191089400.db2.gz RDZWEZMITDSZFL-HTOAHKCRSA-N 2 1 238.375 1.484 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000070837118 180319048 /nfs/dbraw/zinc/31/90/48/180319048.db2.gz MLNNIPZRIAMDQQ-VIFPVBQESA-N 2 1 211.334 1.232 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000336696996 350451861 /nfs/dbraw/zinc/45/18/61/350451861.db2.gz KBQABTFZOODMEA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC000336696996 350451862 /nfs/dbraw/zinc/45/18/62/350451862.db2.gz KBQABTFZOODMEA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000126008745 180376464 /nfs/dbraw/zinc/37/64/64/180376464.db2.gz USFGIHCXTCSANK-SNVBAGLBSA-N 2 1 224.352 1.158 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CO)CC2)CC1(C)C ZINC000623540648 362958476 /nfs/dbraw/zinc/95/84/76/362958476.db2.gz AMDZZLKPAJUCRM-LBPRGKRZSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000163257524 350511400 /nfs/dbraw/zinc/51/14/00/350511400.db2.gz IFGADPOCTBRJGY-MELADBBJSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000163257524 350511405 /nfs/dbraw/zinc/51/14/05/350511405.db2.gz IFGADPOCTBRJGY-MELADBBJSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000163257524 350511408 /nfs/dbraw/zinc/51/14/08/350511408.db2.gz IFGADPOCTBRJGY-MELADBBJSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000163257524 350511414 /nfs/dbraw/zinc/51/14/14/350511414.db2.gz IFGADPOCTBRJGY-MELADBBJSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000163257524 350511418 /nfs/dbraw/zinc/51/14/18/350511418.db2.gz IFGADPOCTBRJGY-MELADBBJSA-N 3 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000163257524 350511422 /nfs/dbraw/zinc/51/14/22/350511422.db2.gz IFGADPOCTBRJGY-MELADBBJSA-N 3 1 239.407 1.258 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000163493941 350522614 /nfs/dbraw/zinc/52/26/14/350522614.db2.gz BDIWSPHLWKBZKK-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163493941 350522619 /nfs/dbraw/zinc/52/26/19/350522619.db2.gz BDIWSPHLWKBZKK-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163493941 350522621 /nfs/dbraw/zinc/52/26/21/350522621.db2.gz BDIWSPHLWKBZKK-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000228005802 350524388 /nfs/dbraw/zinc/52/43/88/350524388.db2.gz RJKVOZAPLVWICN-LBPRGKRZSA-N 2 1 243.395 1.065 20 0 BDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000337838237 350628628 /nfs/dbraw/zinc/62/86/28/350628628.db2.gz FASUGRBESNZWEA-ZDUSSCGKSA-N 2 1 248.374 1.607 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000337838237 350628632 /nfs/dbraw/zinc/62/86/32/350628632.db2.gz FASUGRBESNZWEA-ZDUSSCGKSA-N 2 1 248.374 1.607 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)COCC1 ZINC000334502727 350674098 /nfs/dbraw/zinc/67/40/98/350674098.db2.gz JVKFQZDGRZKMCO-ZIAGYGMSSA-N 2 1 236.359 1.550 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336665656 350862332 /nfs/dbraw/zinc/86/23/32/350862332.db2.gz PQDWOJZWULQLPK-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336665656 350862335 /nfs/dbraw/zinc/86/23/35/350862335.db2.gz PQDWOJZWULQLPK-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336665656 350862338 /nfs/dbraw/zinc/86/23/38/350862338.db2.gz PQDWOJZWULQLPK-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336665656 350862339 /nfs/dbraw/zinc/86/23/39/350862339.db2.gz PQDWOJZWULQLPK-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336665656 350862342 /nfs/dbraw/zinc/86/23/42/350862342.db2.gz PQDWOJZWULQLPK-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCOCCF)CC1(C)C ZINC000623575405 363004553 /nfs/dbraw/zinc/00/45/53/363004553.db2.gz ZCWUSZLGMVYRDC-NSHDSACASA-N 2 1 232.343 1.435 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC1CC[NH2+]CC1)C1CCCCC1 ZINC000414851019 351830425 /nfs/dbraw/zinc/83/04/25/351830425.db2.gz OHXJJEHDDCNOFN-AWEZNQCLSA-N 3 1 239.407 1.483 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@H]2CCO2)C1 ZINC000638131747 352001935 /nfs/dbraw/zinc/00/19/35/352001935.db2.gz DRBJMQCOCROVAD-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638131747 352001937 /nfs/dbraw/zinc/00/19/37/352001937.db2.gz DRBJMQCOCROVAD-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638131747 352001940 /nfs/dbraw/zinc/00/19/40/352001940.db2.gz DRBJMQCOCROVAD-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1cccc(F)c1N ZINC000638289301 352125160 /nfs/dbraw/zinc/12/51/60/352125160.db2.gz MUBXRLFYNVTMTG-UHFFFAOYSA-N 2 1 225.311 1.449 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[C@@H]1CCO1 ZINC000638378474 352189306 /nfs/dbraw/zinc/18/93/06/352189306.db2.gz XEQWBVJKCGJDGG-MGPQQGTHSA-N 2 1 238.375 1.772 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000638380591 352191054 /nfs/dbraw/zinc/19/10/54/352191054.db2.gz CUGWDZKMEDRHHV-CHWSQXEVSA-N 2 1 248.374 1.339 20 0 BDADMP CCOC1CC(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000638381952 352193984 /nfs/dbraw/zinc/19/39/84/352193984.db2.gz RDKFPOZPNKTARD-IYXRBSQSSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CCC[C@H]1CCO1 ZINC000638503265 352326213 /nfs/dbraw/zinc/32/62/13/352326213.db2.gz GWEDIPGNTOZLMW-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CCC[C@H]1CCO1 ZINC000638503265 352326216 /nfs/dbraw/zinc/32/62/16/352326216.db2.gz GWEDIPGNTOZLMW-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)CC(C)C ZINC000638589389 352420608 /nfs/dbraw/zinc/42/06/08/352420608.db2.gz UBMAZGDFRJHSID-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000638707694 352544110 /nfs/dbraw/zinc/54/41/10/352544110.db2.gz KGLFZJSXXZGMOU-ZIHBUVQPSA-N 2 1 240.391 1.874 20 0 BDADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000638707692 352544138 /nfs/dbraw/zinc/54/41/38/352544138.db2.gz KGLFZJSXXZGMOU-NELGMTEASA-N 2 1 240.391 1.874 20 0 BDADMP CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415013989 352550592 /nfs/dbraw/zinc/55/05/92/352550592.db2.gz WDJJWKZCGGWQHL-QWRGUYRKSA-N 2 1 222.332 1.911 20 0 BDADMP C([NH2+]C1CCSCC1)[C@H]1CCCC[NH2+]1 ZINC000232450997 352674392 /nfs/dbraw/zinc/67/43/92/352674392.db2.gz VUGRUJPSGSBPCS-LLVKDONJSA-N 2 1 214.378 1.614 20 0 BDADMP Cn1cnc2cc(C[N@H+]3CC[C@H](C[NH3+])C3)ccc21 ZINC000334183992 352772821 /nfs/dbraw/zinc/77/28/21/352772821.db2.gz CTWZEXNKDAQQAH-GFCCVEGCSA-N 2 1 244.342 1.354 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412099229 191260751 /nfs/dbraw/zinc/26/07/51/191260751.db2.gz WIJXMYQTSWCGPQ-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC1(F)F ZINC000638839221 353016673 /nfs/dbraw/zinc/01/66/73/353016673.db2.gz ZVCRKKGQKHGXQB-KOLCDFICSA-N 2 1 230.302 1.882 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000037619271 358475785 /nfs/dbraw/zinc/47/57/85/358475785.db2.gz KLNHHBTWRJJVMD-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1cnc(C[NH2+]CC2(C)CC[NH+](C)CC2)o1 ZINC000638953528 353165096 /nfs/dbraw/zinc/16/50/96/353165096.db2.gz ABDRJALKUGSCNM-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161965569 538111690 /nfs/dbraw/zinc/11/16/90/538111690.db2.gz YMVWZCYQOGVULW-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000161965569 538111691 /nfs/dbraw/zinc/11/16/91/538111691.db2.gz YMVWZCYQOGVULW-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000161965569 538111692 /nfs/dbraw/zinc/11/16/92/538111692.db2.gz YMVWZCYQOGVULW-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250452019 353272224 /nfs/dbraw/zinc/27/22/24/353272224.db2.gz ZQMLHPWTJQVSAR-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000250452019 353272226 /nfs/dbraw/zinc/27/22/26/353272226.db2.gz ZQMLHPWTJQVSAR-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000357066930 188239878 /nfs/dbraw/zinc/23/98/78/188239878.db2.gz DBPSKAUOELSBQL-NEPJUHHUSA-N 2 1 244.404 1.322 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336727507 188256413 /nfs/dbraw/zinc/25/64/13/188256413.db2.gz HHNDLENMTCYQBI-NWDGAFQWSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336727507 188256415 /nfs/dbraw/zinc/25/64/15/188256415.db2.gz HHNDLENMTCYQBI-NWDGAFQWSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)[C@@](C)(CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000336667552 188256785 /nfs/dbraw/zinc/25/67/85/188256785.db2.gz MGKHNVYJFNDRBA-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCSC1 ZINC000037175242 188279974 /nfs/dbraw/zinc/27/99/74/188279974.db2.gz CAXPRGPKDNJDJH-GHMZBOCLSA-N 2 1 216.394 1.797 20 0 BDADMP CC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414294 188304648 /nfs/dbraw/zinc/30/46/48/188304648.db2.gz LWJZDVZDGZUYGZ-MCIONIFRSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414294 188304650 /nfs/dbraw/zinc/30/46/50/188304650.db2.gz LWJZDVZDGZUYGZ-MCIONIFRSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414294 188304651 /nfs/dbraw/zinc/30/46/51/188304651.db2.gz LWJZDVZDGZUYGZ-MCIONIFRSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414294 188304652 /nfs/dbraw/zinc/30/46/52/188304652.db2.gz LWJZDVZDGZUYGZ-MCIONIFRSA-N 2 1 236.359 1.382 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C[C@@H]2C)CC[NH2+]1 ZINC000235368473 188305957 /nfs/dbraw/zinc/30/59/57/188305957.db2.gz GIYIOZUMWLIMNE-FRRDWIJNSA-N 2 1 225.380 1.010 20 0 BDADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000357799191 188318179 /nfs/dbraw/zinc/31/81/79/188318179.db2.gz IWUMLCXWDMCLMB-AVGNSLFASA-N 2 1 242.407 1.854 20 0 BDADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)O ZINC000357799191 188318181 /nfs/dbraw/zinc/31/81/81/188318181.db2.gz IWUMLCXWDMCLMB-AVGNSLFASA-N 2 1 242.407 1.854 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000165489234 353366029 /nfs/dbraw/zinc/36/60/29/353366029.db2.gz VOEOZSSTCDCPLQ-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000165489234 353366031 /nfs/dbraw/zinc/36/60/31/353366031.db2.gz VOEOZSSTCDCPLQ-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP Oc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000085282319 538115917 /nfs/dbraw/zinc/11/59/17/538115917.db2.gz PYUMLAZQWWJKAR-RYUDHWBXSA-N 2 1 218.300 1.043 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000336671122 188340837 /nfs/dbraw/zinc/34/08/37/188340837.db2.gz NQPPLSCHZVCXIA-YNEHKIRRSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000336671122 188340838 /nfs/dbraw/zinc/34/08/38/188340838.db2.gz NQPPLSCHZVCXIA-YNEHKIRRSA-N 2 1 228.380 1.730 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1(C)CC1 ZINC000308778972 188342057 /nfs/dbraw/zinc/34/20/57/188342057.db2.gz BTKVEQITNNYUJF-SNVBAGLBSA-N 2 1 207.321 1.970 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309453973 188345029 /nfs/dbraw/zinc/34/50/29/188345029.db2.gz QNFHLZMKVOBNQY-CHWSQXEVSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000309806507 188346234 /nfs/dbraw/zinc/34/62/34/188346234.db2.gz SGPUECNGKOBGKM-UWVGGRQHSA-N 2 1 236.306 1.546 20 0 BDADMP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000336765840 188352307 /nfs/dbraw/zinc/35/23/07/188352307.db2.gz OIBUBLUBOBTRJN-LQPUYASZSA-N 2 1 226.364 1.387 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000226543043 538116710 /nfs/dbraw/zinc/11/67/10/538116710.db2.gz YXXJCERVRPLCDC-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc(N)s1 ZINC000340714794 188398135 /nfs/dbraw/zinc/39/81/35/188398135.db2.gz ZYBGMYSFCCVOBI-SNVBAGLBSA-N 2 1 242.392 1.361 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc(N)s1 ZINC000340714794 188398137 /nfs/dbraw/zinc/39/81/37/188398137.db2.gz ZYBGMYSFCCVOBI-SNVBAGLBSA-N 2 1 242.392 1.361 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340472027 188392305 /nfs/dbraw/zinc/39/23/05/188392305.db2.gz ZDTDFVSDEWMYPO-WCQYABFASA-N 2 1 237.347 1.739 20 0 BDADMP C[N@@H+](CCc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000231668632 353642283 /nfs/dbraw/zinc/64/22/83/353642283.db2.gz AZIQLBZJJRSGLE-CQSZACIVSA-N 2 1 233.359 1.698 20 0 BDADMP Fc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000038040585 181011070 /nfs/dbraw/zinc/01/10/70/181011070.db2.gz ZLPLTVQAWZQIPS-UHFFFAOYSA-N 2 1 208.280 1.667 20 0 BDADMP C[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000343459318 353895914 /nfs/dbraw/zinc/89/59/14/353895914.db2.gz TUYJMLDVTTZBMY-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[NH+]1CCCCC1 ZINC000334522798 353890890 /nfs/dbraw/zinc/89/08/90/353890890.db2.gz ZSHBDNXDGRLWTB-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343915931 354040648 /nfs/dbraw/zinc/04/06/48/354040648.db2.gz GALPHUXYVTXSRE-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639167711 354038920 /nfs/dbraw/zinc/03/89/20/354038920.db2.gz KABQWXADKTVDGO-CLLJXQQHSA-N 2 1 210.365 1.916 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNc1ccnc(C)n1 ZINC000343931396 354046087 /nfs/dbraw/zinc/04/60/87/354046087.db2.gz BLNLOVZNDOXALY-LBPRGKRZSA-N 2 1 234.347 1.493 20 0 BDADMP Cn1cc(CCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000639167136 354046872 /nfs/dbraw/zinc/04/68/72/354046872.db2.gz AWZBZAGIBOEBPN-UHFFFAOYSA-N 2 1 238.379 1.236 20 0 BDADMP CO[C@H](C[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000639167186 354048515 /nfs/dbraw/zinc/04/85/15/354048515.db2.gz BGOQQDODLOZZFB-GFCCVEGCSA-N 2 1 214.353 1.295 20 0 BDADMP CC[C@@H](F)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032821 354095865 /nfs/dbraw/zinc/09/58/65/354095865.db2.gz DSOCJRSBVPYRQR-CYBMUJFWSA-N 2 1 247.402 1.550 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639170738 354124692 /nfs/dbraw/zinc/12/46/92/354124692.db2.gz WVGKUPNRZKHYHN-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](CCC[C@H]1CCO1)CCC[NH+](C)C ZINC000639175177 354192719 /nfs/dbraw/zinc/19/27/19/354192719.db2.gz ICHOQYLBADQMLO-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000344304466 354215544 /nfs/dbraw/zinc/21/55/44/354215544.db2.gz UKIMGRNKFYCXTD-GXTWGEPZSA-N 2 1 237.391 1.178 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cncn2C)[C@@H](C)C1 ZINC000344533869 354283338 /nfs/dbraw/zinc/28/33/38/354283338.db2.gz GXOYYCUPTORHDO-WCQYABFASA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cncn2C)[C@@H](C)C1 ZINC000344533869 354283341 /nfs/dbraw/zinc/28/33/41/354283341.db2.gz GXOYYCUPTORHDO-WCQYABFASA-N 2 1 236.363 1.240 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000577960581 366144726 /nfs/dbraw/zinc/14/47/26/366144726.db2.gz MHCVXRKLEAIUSW-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000639204161 354620594 /nfs/dbraw/zinc/62/05/94/354620594.db2.gz PKGMTXJOGBVMSN-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000639204161 354620596 /nfs/dbraw/zinc/62/05/96/354620596.db2.gz PKGMTXJOGBVMSN-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204161 354620597 /nfs/dbraw/zinc/62/05/97/354620597.db2.gz PKGMTXJOGBVMSN-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335110073 354696244 /nfs/dbraw/zinc/69/62/44/354696244.db2.gz BDNBXUDZWOWCEP-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335110073 354696246 /nfs/dbraw/zinc/69/62/46/354696246.db2.gz BDNBXUDZWOWCEP-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1sc(C)nc1C ZINC000234355023 363421223 /nfs/dbraw/zinc/42/12/23/363421223.db2.gz QQZYLFWZGYNPSU-UHFFFAOYSA-N 2 1 213.350 1.459 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000346412224 354916290 /nfs/dbraw/zinc/91/62/90/354916290.db2.gz LMNUBSFGGDYXCI-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCCO2)CC1 ZINC000346412224 354916294 /nfs/dbraw/zinc/91/62/94/354916294.db2.gz LMNUBSFGGDYXCI-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000346498667 354960598 /nfs/dbraw/zinc/96/05/98/354960598.db2.gz SPJOAMAZINMQLE-QWHCGFSZSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@H]1[C@H](CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000335173348 354939033 /nfs/dbraw/zinc/93/90/33/354939033.db2.gz NEDRUEFXJPYXRZ-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+](CC(C)(C)[NH3+])[C@@H](CCO)c1ccccc1 ZINC000346993968 355192491 /nfs/dbraw/zinc/19/24/91/355192491.db2.gz BKWROEJXDCJBDX-ZDUSSCGKSA-N 2 1 236.359 1.779 20 0 BDADMP C[N@@H+](CC(C)(C)[NH3+])[C@@H](CCO)c1ccccc1 ZINC000346993968 355192492 /nfs/dbraw/zinc/19/24/92/355192492.db2.gz BKWROEJXDCJBDX-ZDUSSCGKSA-N 2 1 236.359 1.779 20 0 BDADMP CCOC(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515301 355251984 /nfs/dbraw/zinc/25/19/84/355251984.db2.gz CHJGJYPXIQBRGU-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515301 355251987 /nfs/dbraw/zinc/25/19/87/355251987.db2.gz CHJGJYPXIQBRGU-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC1(C)C ZINC000623749099 355320349 /nfs/dbraw/zinc/32/03/49/355320349.db2.gz VDNAIYLQWCFVNO-UTUOFQBUSA-N 2 1 226.364 1.220 20 0 BDADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000414196823 191458494 /nfs/dbraw/zinc/45/84/94/191458494.db2.gz WDYXFFHACJEEEC-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000335774927 355399924 /nfs/dbraw/zinc/39/99/24/355399924.db2.gz YPDDULWIRHSRQU-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1nocc1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000335793719 355448045 /nfs/dbraw/zinc/44/80/45/355448045.db2.gz IBLUJVONUVPKHM-AAEUAGOBSA-N 2 1 235.331 1.509 20 0 BDADMP CCc1nc(NCC2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000336785797 358497622 /nfs/dbraw/zinc/49/76/22/358497622.db2.gz GEOSKBZMSDWYTH-UHFFFAOYSA-N 2 1 248.374 1.523 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000639348314 355789225 /nfs/dbraw/zinc/78/92/25/355789225.db2.gz VRTPGWNYBTUWFZ-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000639348314 355789229 /nfs/dbraw/zinc/78/92/29/355789229.db2.gz VRTPGWNYBTUWFZ-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC1(C)COC1 ZINC000608563103 355861050 /nfs/dbraw/zinc/86/10/50/355861050.db2.gz NFAFLHFMSONIMD-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](C[C@H](C)OC)CC1 ZINC000639378245 355911241 /nfs/dbraw/zinc/91/12/41/355911241.db2.gz NQEAOCJLVKAOFM-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnn1C ZINC000192249726 356077865 /nfs/dbraw/zinc/07/78/65/356077865.db2.gz JRCNPMXQMBPFOY-NEPJUHHUSA-N 2 1 248.374 1.555 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccnn1C ZINC000192249726 356077866 /nfs/dbraw/zinc/07/78/66/356077866.db2.gz JRCNPMXQMBPFOY-NEPJUHHUSA-N 2 1 248.374 1.555 20 0 BDADMP [NH3+]CCCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000420234115 192182033 /nfs/dbraw/zinc/18/20/33/192182033.db2.gz NLPHHBQIYNAQGP-UHFFFAOYSA-N 2 1 249.362 1.040 20 0 BDADMP CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)O ZINC000305679719 192017900 /nfs/dbraw/zinc/01/79/00/192017900.db2.gz NCZZCWDSTCEEKL-CHWSQXEVSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC000305679719 192017901 /nfs/dbraw/zinc/01/79/01/192017901.db2.gz NCZZCWDSTCEEKL-CHWSQXEVSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC000305679719 192017904 /nfs/dbraw/zinc/01/79/04/192017904.db2.gz NCZZCWDSTCEEKL-CHWSQXEVSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000420262119 192191948 /nfs/dbraw/zinc/19/19/48/192191948.db2.gz LXUMTDJVPNSVNB-GHMZBOCLSA-N 2 1 249.362 1.036 20 0 BDADMP C[N@@H+](CC[C@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000420296972 192205860 /nfs/dbraw/zinc/20/58/60/192205860.db2.gz XTFAKQYDLSCWIO-GFCCVEGCSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)n1 ZINC000420300260 192206267 /nfs/dbraw/zinc/20/62/67/192206267.db2.gz CFCJNBKKKVLZAI-ZNMIVQPWSA-N 2 1 245.370 1.868 20 0 BDADMP CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420319137 192196099 /nfs/dbraw/zinc/19/60/99/192196099.db2.gz RFDRMLBCQVYXSH-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP COC(=O)CC1(C[N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000420272564 192196792 /nfs/dbraw/zinc/19/67/92/192196792.db2.gz MIBYELBBTFXXIP-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420272907 192197584 /nfs/dbraw/zinc/19/75/84/192197584.db2.gz MSSWYIPCAAEYPV-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420272907 192197587 /nfs/dbraw/zinc/19/75/87/192197587.db2.gz MSSWYIPCAAEYPV-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)CC1 ZINC000379473564 358501539 /nfs/dbraw/zinc/50/15/39/358501539.db2.gz VJEBJPZEQIFPQF-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000379473564 358501543 /nfs/dbraw/zinc/50/15/43/358501543.db2.gz VJEBJPZEQIFPQF-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H](C)CC1 ZINC000379473564 358501547 /nfs/dbraw/zinc/50/15/47/358501547.db2.gz VJEBJPZEQIFPQF-NEPJUHHUSA-N 2 1 246.420 1.126 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000420283250 192199816 /nfs/dbraw/zinc/19/98/16/192199816.db2.gz BTPASOFCXVMBMD-LBPRGKRZSA-N 2 1 242.363 1.404 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CCC[C@H]1C[NH2+]C ZINC000420283250 192199819 /nfs/dbraw/zinc/19/98/19/192199819.db2.gz BTPASOFCXVMBMD-LBPRGKRZSA-N 2 1 242.363 1.404 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420288581 192200676 /nfs/dbraw/zinc/20/06/76/192200676.db2.gz JIERRYFZIFDHPJ-CHWSQXEVSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1CN ZINC000420289707 192201128 /nfs/dbraw/zinc/20/11/28/192201128.db2.gz KWGIPFUXGGLORH-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)[C@@H]1C[NH3+] ZINC000420289707 192201130 /nfs/dbraw/zinc/20/11/30/192201130.db2.gz KWGIPFUXGGLORH-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420287310 192201956 /nfs/dbraw/zinc/20/19/56/192201956.db2.gz HUMSJJVGDIBTEE-RYUDHWBXSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000639493749 356316827 /nfs/dbraw/zinc/31/68/27/356316827.db2.gz BMUXWQSXOIQVIH-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000639493749 356316828 /nfs/dbraw/zinc/31/68/28/356316828.db2.gz BMUXWQSXOIQVIH-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000639493749 356316832 /nfs/dbraw/zinc/31/68/32/356316832.db2.gz BMUXWQSXOIQVIH-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420318309 192214211 /nfs/dbraw/zinc/21/42/11/192214211.db2.gz OKHRZPUJTQEGBO-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)OC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420333993 192215168 /nfs/dbraw/zinc/21/51/68/192215168.db2.gz KPXZOYTUOZERCI-NWDGAFQWSA-N 2 1 240.347 1.012 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420333993 192215170 /nfs/dbraw/zinc/21/51/70/192215170.db2.gz KPXZOYTUOZERCI-NWDGAFQWSA-N 2 1 240.347 1.012 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000420358476 192218959 /nfs/dbraw/zinc/21/89/59/192218959.db2.gz JBKFXDWEPMXONR-ZDUSSCGKSA-N 2 1 219.332 1.828 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000420358476 192218961 /nfs/dbraw/zinc/21/89/61/192218961.db2.gz JBKFXDWEPMXONR-ZDUSSCGKSA-N 2 1 219.332 1.828 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345077 192216734 /nfs/dbraw/zinc/21/67/34/192216734.db2.gz VDOGASMGNOEWCF-OKILXGFUSA-N 2 1 240.391 1.733 20 0 BDADMP CCCCNC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420353953 192218251 /nfs/dbraw/zinc/21/82/51/192218251.db2.gz CNCCCOUKQYRTQV-LLVKDONJSA-N 2 1 243.395 1.256 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307693 192208170 /nfs/dbraw/zinc/20/81/70/192208170.db2.gz CBFNVCBNTWJDBU-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@]1(CN)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307693 192208171 /nfs/dbraw/zinc/20/81/71/192208171.db2.gz CBFNVCBNTWJDBU-OLZOCXBDSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@@]1(CN)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307693 192208173 /nfs/dbraw/zinc/20/81/73/192208173.db2.gz CBFNVCBNTWJDBU-OLZOCXBDSA-N 2 1 225.380 1.047 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420306727 192209283 /nfs/dbraw/zinc/20/92/83/192209283.db2.gz AXVVQFROWWUPAE-CYBMUJFWSA-N 2 1 242.363 1.391 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000420313005 192211683 /nfs/dbraw/zinc/21/16/83/192211683.db2.gz SZIKLNHMGNDQAT-AAVRWANBSA-N 3 1 237.391 1.045 20 0 BDADMP COCC[C@@H]1CCCC[N@@H+](C[C@H](C)N)C1 ZINC000420368228 192226175 /nfs/dbraw/zinc/22/61/75/192226175.db2.gz HSUGVELHUIAPBK-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322234 192226987 /nfs/dbraw/zinc/22/69/87/192226987.db2.gz WJJRFSVVLZDJST-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cnn(C)c1 ZINC000420322810 192228522 /nfs/dbraw/zinc/22/85/22/192228522.db2.gz SXYTZCSEXFCVAP-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP CCOCCC[N@@H+]1CCNC[C@@](C)(F)C1 ZINC000420328036 192229833 /nfs/dbraw/zinc/22/98/33/192229833.db2.gz GYAITTSFHDIHPA-LLVKDONJSA-N 2 1 218.316 1.046 20 0 BDADMP Cc1cc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)no1 ZINC000420326502 192230252 /nfs/dbraw/zinc/23/02/52/192230252.db2.gz XMXGXDFGBNIDFE-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP Cc1cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)no1 ZINC000420326502 192230255 /nfs/dbraw/zinc/23/02/55/192230255.db2.gz XMXGXDFGBNIDFE-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)CCN1C ZINC000420327760 192230508 /nfs/dbraw/zinc/23/05/08/192230508.db2.gz ZBLSQAVYBRERAR-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000420327760 192230511 /nfs/dbraw/zinc/23/05/11/192230511.db2.gz ZBLSQAVYBRERAR-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000420327760 192230514 /nfs/dbraw/zinc/23/05/14/192230514.db2.gz ZBLSQAVYBRERAR-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)CC[NH+]1C ZINC000420327760 192230516 /nfs/dbraw/zinc/23/05/16/192230516.db2.gz ZBLSQAVYBRERAR-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)CC[NH+]1C ZINC000420327760 192230518 /nfs/dbraw/zinc/23/05/18/192230518.db2.gz ZBLSQAVYBRERAR-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP COC1CC([NH+](C)CC[C@H]2CCC[N@H+]2C)C1 ZINC000352194382 134097920 /nfs/dbraw/zinc/09/79/20/134097920.db2.gz JHCWCILQXFMPTC-PNESKVBLSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOCC(F)F ZINC000420359153 192221533 /nfs/dbraw/zinc/22/15/33/192221533.db2.gz GBJGKCPPOALLGG-WCABBAIRSA-N 2 1 236.306 1.244 20 0 BDADMP CCC(C)(C)CC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420362669 192223282 /nfs/dbraw/zinc/22/32/82/192223282.db2.gz ZMPGBEMQSKLNHS-JTQLQIEISA-N 2 1 202.342 1.064 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000420363804 192224380 /nfs/dbraw/zinc/22/43/80/192224380.db2.gz JURQPVFSVKDNII-FVCCEPFGSA-N 2 1 226.364 1.532 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(N)c1 ZINC000420383009 192234930 /nfs/dbraw/zinc/23/49/30/192234930.db2.gz AXFZHIDOUIWAJS-UHFFFAOYSA-N 2 1 207.321 1.310 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420403822 192237968 /nfs/dbraw/zinc/23/79/68/192237968.db2.gz RTPUXROBIJWNCF-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1C[NH3+] ZINC000420408514 192239451 /nfs/dbraw/zinc/23/94/51/192239451.db2.gz PHWKMMZBPMNWJK-VHSXEESVSA-N 2 1 236.306 1.185 20 0 BDADMP C[N@H+](CCc1nccs1)CC[C@H]1CC[NH2+]C1 ZINC000420375008 192232064 /nfs/dbraw/zinc/23/20/64/192232064.db2.gz OORXMTYIKYLVBC-LLVKDONJSA-N 2 1 239.388 1.617 20 0 BDADMP CCOC(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420374066 192232093 /nfs/dbraw/zinc/23/20/93/192232093.db2.gz RVCZJHTXQCUPKB-LBPRGKRZSA-N 2 1 242.363 1.437 20 0 BDADMP CCOC(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420374063 192232424 /nfs/dbraw/zinc/23/24/24/192232424.db2.gz RVCZJHTXQCUPKB-GFCCVEGCSA-N 2 1 242.363 1.437 20 0 BDADMP CC(=O)c1ccc2c(c1)CC[N@H+](CCC[NH3+])CC2 ZINC000420380352 192233361 /nfs/dbraw/zinc/23/33/61/192233361.db2.gz WFZFQJAVXJXPPT-UHFFFAOYSA-N 2 1 246.354 1.639 20 0 BDADMP COc1cccc(CCC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000420379398 192233717 /nfs/dbraw/zinc/23/37/17/192233717.db2.gz QWPZPKQZEFFJDP-IUODEOHRSA-N 2 1 248.370 1.907 20 0 BDADMP COc1cccc(CCC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000420379398 192233718 /nfs/dbraw/zinc/23/37/18/192233718.db2.gz QWPZPKQZEFFJDP-IUODEOHRSA-N 2 1 248.370 1.907 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOCC1CC1 ZINC000420377309 192233987 /nfs/dbraw/zinc/23/39/87/192233987.db2.gz WADBCHWBTVBJGY-NTZNESFSSA-N 2 1 226.364 1.389 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000352219041 134108856 /nfs/dbraw/zinc/10/88/56/134108856.db2.gz BIARZNGLEBWGGE-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCCOC1 ZINC000352219041 134108857 /nfs/dbraw/zinc/10/88/57/134108857.db2.gz BIARZNGLEBWGGE-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2cc(C)nc(C(C)C)n2)C1 ZINC000389399859 356491585 /nfs/dbraw/zinc/49/15/85/356491585.db2.gz PKAPAUPPPUUVFJ-LBPRGKRZSA-N 2 1 248.374 1.836 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCc2cncn2C)[C@@H](C)C1 ZINC000639623874 356543370 /nfs/dbraw/zinc/54/33/70/356543370.db2.gz AGSZXWPNWQPFRE-WCQYABFASA-N 2 1 237.347 1.462 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@H]1NCC[NH+]1CCCC1(C)C ZINC000449784197 202035856 /nfs/dbraw/zinc/03/58/56/202035856.db2.gz VWYCPPMEVAFTBD-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC[NH+]1CCCC1(C)C ZINC000449784197 202035859 /nfs/dbraw/zinc/03/58/59/202035859.db2.gz VWYCPPMEVAFTBD-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[NH+](C)C[C@H]1NCC[N@@H+]1CCCC1(C)C ZINC000449784197 202035862 /nfs/dbraw/zinc/03/58/62/202035862.db2.gz VWYCPPMEVAFTBD-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[NH+](C)C[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000449784197 202035865 /nfs/dbraw/zinc/03/58/65/202035865.db2.gz VWYCPPMEVAFTBD-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(F)(F)F)C2)C1 ZINC000336198503 134127234 /nfs/dbraw/zinc/12/72/34/134127234.db2.gz RYCTZFHROOYZPJ-SNVBAGLBSA-N 2 1 236.281 1.966 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]12CCOC2 ZINC000421021672 192305394 /nfs/dbraw/zinc/30/53/94/192305394.db2.gz OWZPXLDYDXHFGW-AWEZNQCLSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]12CCOC2 ZINC000421021672 192305396 /nfs/dbraw/zinc/30/53/96/192305396.db2.gz OWZPXLDYDXHFGW-AWEZNQCLSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1cc(C)c(C[N@H+](C)C2(CO)CC2)c(C)n1 ZINC000639644439 356557282 /nfs/dbraw/zinc/55/72/82/356557282.db2.gz YQIWEBGREITCMA-UHFFFAOYSA-N 2 1 234.343 1.964 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167601960 134152774 /nfs/dbraw/zinc/15/27/74/134152774.db2.gz XCDVJGXIZSTOCN-WOPDTQHZSA-N 2 1 214.353 1.328 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000450339545 202135241 /nfs/dbraw/zinc/13/52/41/202135241.db2.gz RDXLCBJKPYMCLB-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754821 356658542 /nfs/dbraw/zinc/65/85/42/356658542.db2.gz BANLKLQXIMLBJS-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP CC[C@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)OC ZINC000639755884 356659972 /nfs/dbraw/zinc/65/99/72/356659972.db2.gz QFTQPJKCMMHDOZ-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CCc1cc(NCC[N@@H+]2CCOC[C@H]2C)cc[nH+]1 ZINC000450313247 202126273 /nfs/dbraw/zinc/12/62/73/202126273.db2.gz KPJOKPHAYYARJT-GFCCVEGCSA-N 2 1 249.358 1.199 20 0 BDADMP CCc1cc(NCC[N@H+]2CCOC[C@H]2C)cc[nH+]1 ZINC000450313247 202126277 /nfs/dbraw/zinc/12/62/77/202126277.db2.gz KPJOKPHAYYARJT-GFCCVEGCSA-N 2 1 249.358 1.199 20 0 BDADMP C[C@H]([NH3+])CN1CC[NH+](Cc2ccsc2)CC1 ZINC000582244583 356674319 /nfs/dbraw/zinc/67/43/19/356674319.db2.gz GMBRIPLVBBWIPN-NSHDSACASA-N 2 1 239.388 1.213 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000168021478 134155301 /nfs/dbraw/zinc/15/53/01/134155301.db2.gz ZLOVZKQVJMYLKU-MNOVXSKESA-N 2 1 214.353 1.077 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2=CCCC2)C1 ZINC000639763519 356688908 /nfs/dbraw/zinc/68/89/08/356688908.db2.gz QWNPPVQEGPRARX-AWEZNQCLSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2=CCCC2)C1 ZINC000639763519 356688910 /nfs/dbraw/zinc/68/89/10/356688910.db2.gz QWNPPVQEGPRARX-AWEZNQCLSA-N 2 1 238.375 1.485 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335385 356717470 /nfs/dbraw/zinc/71/74/70/356717470.db2.gz KXDIYPHACVHTLS-MNOVXSKESA-N 2 1 214.353 1.484 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336374 356723997 /nfs/dbraw/zinc/72/39/97/356723997.db2.gz LPHPXTSIMUZOKI-WDEREUQCSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336373 356724401 /nfs/dbraw/zinc/72/44/01/356724401.db2.gz LPHPXTSIMUZOKI-QWRGUYRKSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623336372 356724474 /nfs/dbraw/zinc/72/44/74/356724474.db2.gz LPHPXTSIMUZOKI-MNOVXSKESA-N 2 1 214.353 1.220 20 0 BDADMP C[NH+]1CCC(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342058 356742904 /nfs/dbraw/zinc/74/29/04/356742904.db2.gz DGFZZEYNDZXNIW-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623342058 356742907 /nfs/dbraw/zinc/74/29/07/356742907.db2.gz DGFZZEYNDZXNIW-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342058 356742910 /nfs/dbraw/zinc/74/29/10/356742910.db2.gz DGFZZEYNDZXNIW-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450434632 202167913 /nfs/dbraw/zinc/16/79/13/202167913.db2.gz DLPWFLNNLZGHNC-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000450434632 202167917 /nfs/dbraw/zinc/16/79/17/202167917.db2.gz DLPWFLNNLZGHNC-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000450434632 202167921 /nfs/dbraw/zinc/16/79/21/202167921.db2.gz DLPWFLNNLZGHNC-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000355453556 356760238 /nfs/dbraw/zinc/76/02/38/356760238.db2.gz HEEGYTPGHPFZOX-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC000355537384 356763529 /nfs/dbraw/zinc/76/35/29/356763529.db2.gz XAROMWIMVZCEGN-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000450474832 202177998 /nfs/dbraw/zinc/17/79/98/202177998.db2.gz SPJGXERBZXFFAG-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000450474832 202178000 /nfs/dbraw/zinc/17/80/00/202178000.db2.gz SPJGXERBZXFFAG-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000450474832 202178003 /nfs/dbraw/zinc/17/80/03/202178003.db2.gz SPJGXERBZXFFAG-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H]([NH2+]CC1=CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423157970 192595675 /nfs/dbraw/zinc/59/56/75/192595675.db2.gz NFQOPOFSBSAYCC-OLZOCXBDSA-N 2 1 224.348 1.453 20 0 BDADMP CC1(C)CC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000166248184 538710477 /nfs/dbraw/zinc/71/04/77/538710477.db2.gz OXSLMKLYCHJKKN-TUAOUCFPSA-N 2 1 224.348 1.095 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623377273 356896698 /nfs/dbraw/zinc/89/66/98/356896698.db2.gz SPOMYXMGHMBXEO-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623377273 356896700 /nfs/dbraw/zinc/89/67/00/356896700.db2.gz SPOMYXMGHMBXEO-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623377273 356896704 /nfs/dbraw/zinc/89/67/04/356896704.db2.gz SPOMYXMGHMBXEO-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623377273 356896707 /nfs/dbraw/zinc/89/67/07/356896707.db2.gz SPOMYXMGHMBXEO-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623377273 356896710 /nfs/dbraw/zinc/89/67/10/356896710.db2.gz SPOMYXMGHMBXEO-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP [NH3+]CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423196071 192622346 /nfs/dbraw/zinc/62/23/46/192622346.db2.gz UQCSLTWVSMAEFS-LLVKDONJSA-N 2 1 226.270 1.891 20 0 BDADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119572110 357028726 /nfs/dbraw/zinc/02/87/26/357028726.db2.gz BFMIDVPFBFLHAT-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000020205760 357001031 /nfs/dbraw/zinc/00/10/31/357001031.db2.gz LCHIJWOPJBHYNM-WCQYABFASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000389614523 357003216 /nfs/dbraw/zinc/00/32/16/357003216.db2.gz FYIKYOYKFABFGN-LPWJVIDDSA-N 2 1 210.365 1.962 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)O)[C@H](C)C1 ZINC000389997456 357081310 /nfs/dbraw/zinc/08/13/10/357081310.db2.gz QZPAFLRMJJOENJ-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)C1CC([NH2+]CCc2c[nH+]cn2C)C1 ZINC000390158360 357085437 /nfs/dbraw/zinc/08/54/37/357085437.db2.gz YCHYEAPSSANNKV-UHFFFAOYSA-N 2 1 221.348 1.987 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)COC ZINC000390496252 357096360 /nfs/dbraw/zinc/09/63/60/357096360.db2.gz SCJHPUGOZAYVIX-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)COC ZINC000390496252 357096363 /nfs/dbraw/zinc/09/63/63/357096363.db2.gz SCJHPUGOZAYVIX-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000390578240 357101545 /nfs/dbraw/zinc/10/15/45/357101545.db2.gz WNGNMASAHNRPPR-KCJUWKMLSA-N 2 1 208.309 1.030 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000390578240 357101547 /nfs/dbraw/zinc/10/15/47/357101547.db2.gz WNGNMASAHNRPPR-KCJUWKMLSA-N 2 1 208.309 1.030 20 0 BDADMP CCSCC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000130047349 357164199 /nfs/dbraw/zinc/16/41/99/357164199.db2.gz SLELGMBKDDXUQA-MNOVXSKESA-N 2 1 216.394 1.799 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000628425900 357254432 /nfs/dbraw/zinc/25/44/32/357254432.db2.gz YUJPEQMTQKBTEY-QWHCGFSZSA-N 2 1 228.380 1.590 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000628425901 357254463 /nfs/dbraw/zinc/25/44/63/357254463.db2.gz YUJPEQMTQKBTEY-STQMWFEESA-N 2 1 228.380 1.590 20 0 BDADMP CC(C)([NH3+])CNc1[nH]c2ccccc2[nH+]1 ZINC000168396037 134197819 /nfs/dbraw/zinc/19/78/19/134197819.db2.gz MJCJYGVMAPDKNW-UHFFFAOYSA-N 2 1 204.277 1.712 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC(C)(C)C1 ZINC000395438327 357440800 /nfs/dbraw/zinc/44/08/00/357440800.db2.gz PIQZESDRZJCWLL-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC(C)(C)C1 ZINC000395438327 357440801 /nfs/dbraw/zinc/44/08/01/357440801.db2.gz PIQZESDRZJCWLL-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC(C)(C)C1 ZINC000395438327 357440804 /nfs/dbraw/zinc/44/08/04/357440804.db2.gz PIQZESDRZJCWLL-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000395438327 357440808 /nfs/dbraw/zinc/44/08/08/357440808.db2.gz PIQZESDRZJCWLL-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000397300169 357511832 /nfs/dbraw/zinc/51/18/32/357511832.db2.gz DHBRVQBGYGZOLM-OUAUKWLOSA-N 2 1 223.320 1.480 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000397300169 357511836 /nfs/dbraw/zinc/51/18/36/357511836.db2.gz DHBRVQBGYGZOLM-OUAUKWLOSA-N 2 1 223.320 1.480 20 0 BDADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000397254881 357509969 /nfs/dbraw/zinc/50/99/69/357509969.db2.gz HXXQLHBQRCKXOP-ZDUSSCGKSA-N 2 1 237.347 1.367 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2cscn2)CC[N@H+]1C ZINC000158882098 538869725 /nfs/dbraw/zinc/86/97/25/538869725.db2.gz CUMQIWGKGCUHRH-GHMZBOCLSA-N 2 1 239.388 1.758 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)CC1(C)C ZINC000623412548 357595591 /nfs/dbraw/zinc/59/55/91/357595591.db2.gz PNTJGEZCYPQJTA-NSHDSACASA-N 2 1 226.364 1.364 20 0 BDADMP CCC[C@@H](CCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000631667718 357855007 /nfs/dbraw/zinc/85/50/07/357855007.db2.gz GHBRDOUXKVSOPK-LBPRGKRZSA-N 2 1 240.391 1.754 20 0 BDADMP CC[C@@H](C[NH2+][C@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192468902 357835457 /nfs/dbraw/zinc/83/54/57/357835457.db2.gz FEBUUESBBIQZOP-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnn1C ZINC000235518375 357874969 /nfs/dbraw/zinc/87/49/69/357874969.db2.gz UJNKEQFLEGLEBX-YNEHKIRRSA-N 2 1 248.374 1.698 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnn1C ZINC000235518375 357874974 /nfs/dbraw/zinc/87/49/74/357874974.db2.gz UJNKEQFLEGLEBX-YNEHKIRRSA-N 2 1 248.374 1.698 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386557113 357931038 /nfs/dbraw/zinc/93/10/38/357931038.db2.gz IGIQFQFIWZSUEE-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCOC2)CC1(C)C ZINC000623417755 357958336 /nfs/dbraw/zinc/95/83/36/357958336.db2.gz NLBPRCIGEXQOTI-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCSCC2)CC[N@@H+]1C ZINC000090720976 363594843 /nfs/dbraw/zinc/59/48/43/363594843.db2.gz ZPTWLKRRDHGITJ-ZYHUDNBSSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCSCC2)CC[N@H+]1C ZINC000090720976 363594846 /nfs/dbraw/zinc/59/48/46/363594846.db2.gz ZPTWLKRRDHGITJ-ZYHUDNBSSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H](O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983432 358026359 /nfs/dbraw/zinc/02/63/59/358026359.db2.gz HRMMRQITAFPBPP-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000584590242 358095893 /nfs/dbraw/zinc/09/58/93/358095893.db2.gz RLPMHPXBDXXGGZ-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(N)=O)c1 ZINC000584715226 358159967 /nfs/dbraw/zinc/15/99/67/358159967.db2.gz MPCRUKNNRPAOMG-UHFFFAOYSA-N 2 1 249.358 1.103 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000584867930 358207499 /nfs/dbraw/zinc/20/74/99/358207499.db2.gz ORMHYOQULKTYON-MJBXVCDLSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000584867930 358207501 /nfs/dbraw/zinc/20/75/01/358207501.db2.gz ORMHYOQULKTYON-MJBXVCDLSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000584867930 358207502 /nfs/dbraw/zinc/20/75/02/358207502.db2.gz ORMHYOQULKTYON-MJBXVCDLSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000584867891 358208197 /nfs/dbraw/zinc/20/81/97/358208197.db2.gz ORMHYOQULKTYON-BFHYXJOUSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000584867891 358208199 /nfs/dbraw/zinc/20/81/99/358208199.db2.gz ORMHYOQULKTYON-BFHYXJOUSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000584867891 358208202 /nfs/dbraw/zinc/20/82/02/358208202.db2.gz ORMHYOQULKTYON-BFHYXJOUSA-N 2 1 241.423 1.647 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCC(=O)OC)C1 ZINC000173886750 134278476 /nfs/dbraw/zinc/27/84/76/134278476.db2.gz VYHPZEFDWCBEFJ-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)OC)C1 ZINC000173886750 134278477 /nfs/dbraw/zinc/27/84/77/134278477.db2.gz VYHPZEFDWCBEFJ-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)OC)C1 ZINC000173886750 134278478 /nfs/dbraw/zinc/27/84/78/134278478.db2.gz VYHPZEFDWCBEFJ-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)OC)C1 ZINC000173886750 134278479 /nfs/dbraw/zinc/27/84/79/134278479.db2.gz VYHPZEFDWCBEFJ-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000045044552 358400377 /nfs/dbraw/zinc/40/03/77/358400377.db2.gz HKDKBFXDGHKVAP-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP CCC1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000042580215 358527478 /nfs/dbraw/zinc/52/74/78/358527478.db2.gz SQJICSKQNFFMIC-BPCQOVAHSA-N 2 1 228.380 1.467 20 0 BDADMP COCCOCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000175716411 134286783 /nfs/dbraw/zinc/28/67/83/134286783.db2.gz SPLNXKPOOZKIJG-STQMWFEESA-N 2 1 244.379 1.064 20 0 BDADMP COCCOCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000175716411 134286784 /nfs/dbraw/zinc/28/67/84/134286784.db2.gz SPLNXKPOOZKIJG-STQMWFEESA-N 2 1 244.379 1.064 20 0 BDADMP COCCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000175716411 134286785 /nfs/dbraw/zinc/28/67/85/134286785.db2.gz SPLNXKPOOZKIJG-STQMWFEESA-N 2 1 244.379 1.064 20 0 BDADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C1CC1 ZINC000130944177 358654441 /nfs/dbraw/zinc/65/44/41/358654441.db2.gz ZGMDOTDAWXQROL-SCRDCRAPSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000130944177 358654444 /nfs/dbraw/zinc/65/44/44/358654444.db2.gz ZGMDOTDAWXQROL-SCRDCRAPSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000130944177 358654446 /nfs/dbraw/zinc/65/44/46/358654446.db2.gz ZGMDOTDAWXQROL-SCRDCRAPSA-N 2 1 239.407 1.399 20 0 BDADMP C[NH+]1CCC([NH2+]CCOCC(F)(F)F)CC1 ZINC000049310942 358681685 /nfs/dbraw/zinc/68/16/85/358681685.db2.gz LTLOAJDPLDEJCU-UHFFFAOYSA-N 2 1 240.269 1.249 20 0 BDADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000133294387 358749860 /nfs/dbraw/zinc/74/98/60/358749860.db2.gz NAJIRSLXDSJTAR-IJLUTSLNSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000133294387 358749862 /nfs/dbraw/zinc/74/98/62/358749862.db2.gz NAJIRSLXDSJTAR-IJLUTSLNSA-N 2 1 225.380 1.151 20 0 BDADMP Cc1c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cnn1C ZINC000133358305 358751518 /nfs/dbraw/zinc/75/15/18/358751518.db2.gz OZVSBQUQLWLFPL-CYBMUJFWSA-N 2 1 238.379 1.534 20 0 BDADMP Cc1c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cnn1C ZINC000133358305 358751521 /nfs/dbraw/zinc/75/15/21/358751521.db2.gz OZVSBQUQLWLFPL-CYBMUJFWSA-N 2 1 238.379 1.534 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000051627713 358757507 /nfs/dbraw/zinc/75/75/07/358757507.db2.gz QTVQBQWADZACIK-UONOGXRCSA-N 2 1 236.359 1.650 20 0 BDADMP COc1cc(C[N@@H+](C)CCC[NH3+])cc(OC)c1 ZINC000133715275 358766641 /nfs/dbraw/zinc/76/66/41/358766641.db2.gz FXNXYEBBMLATCM-UHFFFAOYSA-N 2 1 238.331 1.484 20 0 BDADMP CC[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000133024238 358743362 /nfs/dbraw/zinc/74/33/62/358743362.db2.gz PIEQDAZPTBSEOY-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000133024238 358743365 /nfs/dbraw/zinc/74/33/65/358743365.db2.gz PIEQDAZPTBSEOY-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H](N[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000133024238 358743368 /nfs/dbraw/zinc/74/33/68/358743368.db2.gz PIEQDAZPTBSEOY-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H](N[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000133024238 358743372 /nfs/dbraw/zinc/74/33/72/358743372.db2.gz PIEQDAZPTBSEOY-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000133980393 358774145 /nfs/dbraw/zinc/77/41/45/358774145.db2.gz UZMLCYFRVLLQKE-WUHRBBMRSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000133980393 358774146 /nfs/dbraw/zinc/77/41/46/358774146.db2.gz UZMLCYFRVLLQKE-WUHRBBMRSA-N 2 1 224.348 1.380 20 0 BDADMP Cc1ncccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000134578512 358796721 /nfs/dbraw/zinc/79/67/21/358796721.db2.gz GOKAIXOJJDPDGL-UHFFFAOYSA-N 2 1 233.359 1.966 20 0 BDADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000134714525 358803211 /nfs/dbraw/zinc/80/32/11/358803211.db2.gz ISVOZFUZQSFADW-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCO)Cc1cc(-n2ccnc2)cs1 ZINC000134871107 358809032 /nfs/dbraw/zinc/80/90/32/358809032.db2.gz CUHMGLUCQUQNAC-UHFFFAOYSA-N 2 1 237.328 1.358 20 0 BDADMP CC[NH+]1CCC(NCC[N@@H+](C)C(C)C)CC1 ZINC000054110735 358852921 /nfs/dbraw/zinc/85/29/21/358852921.db2.gz INUYHQNWDYXHQU-UHFFFAOYSA-N 2 1 227.396 1.401 20 0 BDADMP [NH3+]Cc1noc(C2C[C@H]3CCC[C@@H](C2)C3[NH3+])n1 ZINC000578322354 366511027 /nfs/dbraw/zinc/51/10/27/366511027.db2.gz VAHKWAJCQMVETQ-REMFIFCHSA-N 2 1 236.319 1.149 20 0 BDADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000400552525 359002649 /nfs/dbraw/zinc/00/26/49/359002649.db2.gz YCXPPUKZWQLXQP-SRVKXCTJSA-N 2 1 214.353 1.388 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@H](C)c2nccn2C)C1 ZINC000246411754 359079513 /nfs/dbraw/zinc/07/95/13/359079513.db2.gz RYQYEKXFZSZMLA-NEPJUHHUSA-N 2 1 236.363 1.413 20 0 BDADMP CCOCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835619 359225497 /nfs/dbraw/zinc/22/54/97/359225497.db2.gz KQUXUZNNYKKWQT-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cccn3)CC[C@H]21 ZINC000247957816 359249359 /nfs/dbraw/zinc/24/93/59/359249359.db2.gz FUXRIEHIUMEXSR-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cccn3)CC[C@H]21 ZINC000247957816 359249365 /nfs/dbraw/zinc/24/93/65/359249365.db2.gz FUXRIEHIUMEXSR-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cccn3)CC[C@H]21 ZINC000247957816 359249371 /nfs/dbraw/zinc/24/93/71/359249371.db2.gz FUXRIEHIUMEXSR-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cccn3)CC[C@H]21 ZINC000247957816 359249375 /nfs/dbraw/zinc/24/93/75/359249375.db2.gz FUXRIEHIUMEXSR-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP COCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247932248 359249862 /nfs/dbraw/zinc/24/98/62/359249862.db2.gz CDLYIXOXIZCYQS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247932248 359249865 /nfs/dbraw/zinc/24/98/65/359249865.db2.gz CDLYIXOXIZCYQS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247932248 359249869 /nfs/dbraw/zinc/24/98/69/359249869.db2.gz CDLYIXOXIZCYQS-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248030637 359251908 /nfs/dbraw/zinc/25/19/08/359251908.db2.gz KEFYJNRRFMVCLE-VXGBXAGGSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@H](C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000248030637 359251912 /nfs/dbraw/zinc/25/19/12/359251912.db2.gz KEFYJNRRFMVCLE-VXGBXAGGSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@H](C)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000248030637 359251916 /nfs/dbraw/zinc/25/19/16/359251916.db2.gz KEFYJNRRFMVCLE-VXGBXAGGSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]1 ZINC000379544415 359540717 /nfs/dbraw/zinc/54/07/17/359540717.db2.gz WMTDPAACGZENPX-LPWJVIDDSA-N 2 1 222.376 1.962 20 0 BDADMP Cc1ncc(C[NH2+][C@@H](CCO)c2ccco2)n1C ZINC000580451779 359559480 /nfs/dbraw/zinc/55/94/80/359559480.db2.gz LGCPTYLXZKWTNS-LBPRGKRZSA-N 2 1 249.314 1.535 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000087409476 359910979 /nfs/dbraw/zinc/91/09/79/359910979.db2.gz GCCQTHBAHCJZHL-WDEREUQCSA-N 2 1 238.379 1.719 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000087014447 359893620 /nfs/dbraw/zinc/89/36/20/359893620.db2.gz WPIKJIZKDZGHRN-RWMBFGLXSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)C[N@@H+](C)CCCc1cncn1C ZINC000578545226 366596169 /nfs/dbraw/zinc/59/61/69/366596169.db2.gz JOBHCEVRPRFADX-UHFFFAOYSA-N 2 1 209.337 1.941 20 0 BDADMP CC(C)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000578545226 366596173 /nfs/dbraw/zinc/59/61/73/366596173.db2.gz JOBHCEVRPRFADX-UHFFFAOYSA-N 2 1 209.337 1.941 20 0 BDADMP CC(C)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000578545226 366596177 /nfs/dbraw/zinc/59/61/77/366596177.db2.gz JOBHCEVRPRFADX-UHFFFAOYSA-N 2 1 209.337 1.941 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC(C2CCC2)C1 ZINC000578766736 366643836 /nfs/dbraw/zinc/64/38/36/366643836.db2.gz FVVBPSGYYIJOHJ-AWEZNQCLSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000578766736 366643841 /nfs/dbraw/zinc/64/38/41/366643841.db2.gz FVVBPSGYYIJOHJ-AWEZNQCLSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000578766736 366643846 /nfs/dbraw/zinc/64/38/46/366643846.db2.gz FVVBPSGYYIJOHJ-AWEZNQCLSA-N 2 1 240.391 1.419 20 0 BDADMP CCc1cc(N2CCC[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000088759983 359977630 /nfs/dbraw/zinc/97/76/30/359977630.db2.gz NYPVGNJRECMYOB-NSHDSACASA-N 2 1 234.347 1.523 20 0 BDADMP OC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000090799960 360088860 /nfs/dbraw/zinc/08/88/60/360088860.db2.gz YKQGSUPOBNAGAZ-DKNRTOFZSA-N 2 1 238.375 1.506 20 0 BDADMP Cc1c[nH+]ccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091673079 360123385 /nfs/dbraw/zinc/12/33/85/360123385.db2.gz CBUZJFZLILZCRT-CHWSQXEVSA-N 2 1 247.342 1.665 20 0 BDADMP Cc1c[nH+]ccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091673082 360123463 /nfs/dbraw/zinc/12/34/63/360123463.db2.gz CBUZJFZLILZCRT-OLZOCXBDSA-N 2 1 247.342 1.665 20 0 BDADMP C[N@H+](CC1=CCCOC1)CC1CC[NH+](C)CC1 ZINC000093089228 360217028 /nfs/dbraw/zinc/21/70/28/360217028.db2.gz DXRUNUYKCRLONG-UHFFFAOYSA-N 2 1 238.375 1.607 20 0 BDADMP CCOCCN(C)CC[C@H]1CCC[N@H+]1C ZINC000093316825 360229543 /nfs/dbraw/zinc/22/95/43/360229543.db2.gz XPPDSSUCFZIYQI-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CCOCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000093316825 360229545 /nfs/dbraw/zinc/22/95/45/360229545.db2.gz XPPDSSUCFZIYQI-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CCOCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000093316825 360229546 /nfs/dbraw/zinc/22/95/46/360229546.db2.gz XPPDSSUCFZIYQI-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CCOCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000093316825 360229547 /nfs/dbraw/zinc/22/95/47/360229547.db2.gz XPPDSSUCFZIYQI-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CCOCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000093316825 360229549 /nfs/dbraw/zinc/22/95/49/360229549.db2.gz XPPDSSUCFZIYQI-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094367420 360304946 /nfs/dbraw/zinc/30/49/46/360304946.db2.gz BODYDADEZQUBCS-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP CCCCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874363 360286388 /nfs/dbraw/zinc/28/63/88/360286388.db2.gz HJGSCTNHHFSJDK-NSHDSACASA-N 2 1 243.395 1.208 20 0 BDADMP CCCCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874363 360286389 /nfs/dbraw/zinc/28/63/89/360286389.db2.gz HJGSCTNHHFSJDK-NSHDSACASA-N 2 1 243.395 1.208 20 0 BDADMP C[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000093977893 360292336 /nfs/dbraw/zinc/29/23/36/360292336.db2.gz RUJRPWLDIOLMRT-UONOGXRCSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000093977893 360292343 /nfs/dbraw/zinc/29/23/43/360292343.db2.gz RUJRPWLDIOLMRT-UONOGXRCSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000093977893 360292349 /nfs/dbraw/zinc/29/23/49/360292349.db2.gz RUJRPWLDIOLMRT-UONOGXRCSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000094797368 360318143 /nfs/dbraw/zinc/31/81/43/360318143.db2.gz UADRXLOMCHJAKD-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[N@H+](CC2(F)CC2)CC[C@@H]1[NH3+] ZINC000306522240 360356235 /nfs/dbraw/zinc/35/62/35/360356235.db2.gz PKBBYDPTRZNYCL-ZJUUUORDSA-N 2 1 200.301 1.548 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2(F)CC2)CC[C@@H]1[NH3+] ZINC000306522240 360356239 /nfs/dbraw/zinc/35/62/39/360356239.db2.gz PKBBYDPTRZNYCL-ZJUUUORDSA-N 2 1 200.301 1.548 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH3+])C[C@@H]1C ZINC000430799142 192892296 /nfs/dbraw/zinc/89/22/96/192892296.db2.gz APCDWZGBANJMME-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCCCO ZINC000309587381 491150981 /nfs/dbraw/zinc/15/09/81/491150981.db2.gz SJGJQPVQLIBANK-NSHDSACASA-N 2 1 225.336 1.332 20 0 BDADMP C[C@@H](CCCCO)[NH2+]CCc1c[nH+]cn1C ZINC000309564601 491151639 /nfs/dbraw/zinc/15/16/39/491151639.db2.gz LXXZTGLOZMTIRE-NSHDSACASA-N 2 1 225.336 1.103 20 0 BDADMP CCc1cnc(C[NH2+][C@H](C)CC[NH3+])s1 ZINC000414885134 200775680 /nfs/dbraw/zinc/77/56/80/200775680.db2.gz BOZHLJQHGLMVSD-MRVPVSSYSA-N 2 1 213.350 1.532 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629388334 361040018 /nfs/dbraw/zinc/04/00/18/361040018.db2.gz MWGLVLGJINWPJN-RFQIPJPRSA-N 2 1 237.391 1.343 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629509981 361104768 /nfs/dbraw/zinc/10/47/68/361104768.db2.gz DKTQBPIFSMCRTN-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000629516728 361115326 /nfs/dbraw/zinc/11/53/26/361115326.db2.gz OHXPUOZJFRUZRW-NQBHXWOUSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@@H](C)OC ZINC000629526208 361128431 /nfs/dbraw/zinc/12/84/31/361128431.db2.gz NCQSZUMNVWHMRY-ZRUFSTJUSA-N 2 1 200.326 1.140 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@H](C)OC ZINC000629526206 361128445 /nfs/dbraw/zinc/12/84/45/361128445.db2.gz NCQSZUMNVWHMRY-VPOLOUISSA-N 2 1 200.326 1.140 20 0 BDADMP Nc1ncccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000629529010 361138172 /nfs/dbraw/zinc/13/81/72/361138172.db2.gz PEZRNLCYZLHMOY-LLVKDONJSA-N 2 1 234.347 1.225 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000629530158 361147658 /nfs/dbraw/zinc/14/76/58/361147658.db2.gz XAFWZDMNHVNSOT-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP Nc1ncccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629532638 361153885 /nfs/dbraw/zinc/15/38/85/361153885.db2.gz KQUKBXRURQUJLV-TXEJJXNPSA-N 2 1 246.358 1.095 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](COC)CC(C)C ZINC000629525741 361126461 /nfs/dbraw/zinc/12/64/61/361126461.db2.gz APGRGCVAPXRNQT-FRRDWIJNSA-N 2 1 228.380 1.778 20 0 BDADMP CCSCC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000158579550 361205620 /nfs/dbraw/zinc/20/56/20/361205620.db2.gz JGFHZTVZSZUCKB-QWRGUYRKSA-N 2 1 216.394 1.799 20 0 BDADMP CCSCC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000158579550 361205623 /nfs/dbraw/zinc/20/56/23/361205623.db2.gz JGFHZTVZSZUCKB-QWRGUYRKSA-N 2 1 216.394 1.799 20 0 BDADMP C[N@H+](CC[NH3+])CCCCc1ccccc1 ZINC000158756286 361210923 /nfs/dbraw/zinc/21/09/23/361210923.db2.gz HTJBZQHKKZZABB-UHFFFAOYSA-N 2 1 206.333 1.900 20 0 BDADMP C[N@@H+](CC[NH3+])CCCCc1ccccc1 ZINC000158756286 361210928 /nfs/dbraw/zinc/21/09/28/361210928.db2.gz HTJBZQHKKZZABB-UHFFFAOYSA-N 2 1 206.333 1.900 20 0 BDADMP C[C@@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534609 361303233 /nfs/dbraw/zinc/30/32/33/361303233.db2.gz QOWXQYJDCAJVNB-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043565 370674150 /nfs/dbraw/zinc/67/41/50/370674150.db2.gz DNBQYYDUGWQJTN-BBBLOLIVSA-N 2 1 218.291 1.619 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000622044815 370677208 /nfs/dbraw/zinc/67/72/08/370677208.db2.gz TYVGRBKPIHNVIT-UMSGYPCISA-N 3 1 225.380 1.234 20 0 BDADMP [NH3+]C1(C[NH2+]CCOc2cccc(F)c2)CCC1 ZINC000342169749 181331864 /nfs/dbraw/zinc/33/18/64/181331864.db2.gz QATCPOYFDNHMSF-UHFFFAOYSA-N 2 1 238.306 1.676 20 0 BDADMP CCC[C@H](C)CCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000629539181 361405229 /nfs/dbraw/zinc/40/52/29/361405229.db2.gz VPESFBSPBNNEGB-RYUDHWBXSA-N 2 1 216.369 1.454 20 0 BDADMP COCC[NH+]1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000429451987 201108158 /nfs/dbraw/zinc/10/81/58/201108158.db2.gz PXLZEVUQOCHWBA-UHFFFAOYSA-N 2 1 248.317 1.485 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2ccccc2n1C ZINC000579353403 366767550 /nfs/dbraw/zinc/76/75/50/366767550.db2.gz AXKJBCSZWLLIHJ-WDEREUQCSA-N 2 1 246.358 1.789 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629536601 361399916 /nfs/dbraw/zinc/39/99/16/361399916.db2.gz GXORDDOVJPQRLG-JHJVBQTASA-N 2 1 228.380 1.922 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOC1CCOCC1 ZINC000629537739 361400877 /nfs/dbraw/zinc/40/08/77/361400877.db2.gz QJJJWEKVCQRSKB-GFCCVEGCSA-N 2 1 244.379 1.145 20 0 BDADMP [NH3+]C1(CNc2[nH]c3ccccc3[nH+]2)CCC1 ZINC000236219017 181332910 /nfs/dbraw/zinc/33/29/10/181332910.db2.gz UHQGBJFOWSZBJU-UHFFFAOYSA-N 2 1 216.288 1.856 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC000629540995 361415602 /nfs/dbraw/zinc/41/56/02/361415602.db2.gz ZLGGRXFZBWPOFW-RQJABVFESA-N 3 1 239.407 1.447 20 0 BDADMP COCC1CCC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629535626 361410011 /nfs/dbraw/zinc/41/00/11/361410011.db2.gz CPZPNEXHMWENMU-RYSNWHEDSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547100 361430818 /nfs/dbraw/zinc/43/08/18/361430818.db2.gz JJMHWEGRRUUNEJ-XUXIUFHCSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000629547799 361431931 /nfs/dbraw/zinc/43/19/31/361431931.db2.gz UTXCRTYFJALCDB-QNSTZXKLSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)C1CC[NH+](C)CC1 ZINC000629548543 361434388 /nfs/dbraw/zinc/43/43/88/361434388.db2.gz QAWHLGFDLDBIEW-NTZNESFSSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH3+])C[C@H](C)C1(F)F ZINC000629552836 361436606 /nfs/dbraw/zinc/43/66/06/361436606.db2.gz RBJBWDQGYMWKHM-DTORHVGOSA-N 2 1 206.280 1.558 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000629570630 361460894 /nfs/dbraw/zinc/46/08/94/361460894.db2.gz ABFKJQCDHBNNIT-ZDUSSCGKSA-N 2 1 244.379 1.113 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)cn1 ZINC000629571762 361463702 /nfs/dbraw/zinc/46/37/02/361463702.db2.gz IJWLNYFJTYTPKA-UHFFFAOYSA-N 2 1 237.347 1.058 20 0 BDADMP CCc1cccc(OCC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430951062 201159369 /nfs/dbraw/zinc/15/93/69/201159369.db2.gz KEBGEIALEUHXPM-CQSZACIVSA-N 2 1 248.370 1.908 20 0 BDADMP c1cc(C[NH2+]CCC[NH2+]C2CC2)ccn1 ZINC000163427818 361477990 /nfs/dbraw/zinc/47/79/90/361477990.db2.gz HDSGYOFLODTAJF-UHFFFAOYSA-N 2 1 205.305 1.313 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562454 361456024 /nfs/dbraw/zinc/45/60/24/361456024.db2.gz AKSUAVIKLTVEKC-BDAKNGLRSA-N 2 1 224.270 1.854 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562475 361456152 /nfs/dbraw/zinc/45/61/52/361456152.db2.gz AKSUAVIKLTVEKC-DTWKUNHWSA-N 2 1 224.270 1.854 20 0 BDADMP CC[C@@H]([NH2+]CCC[NH+](C)C)c1cnn(C)c1 ZINC000151907304 201187673 /nfs/dbraw/zinc/18/76/73/201187673.db2.gz JVDKUPAGIRDUEV-GFCCVEGCSA-N 2 1 224.352 1.413 20 0 BDADMP COCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152413308 201197555 /nfs/dbraw/zinc/19/75/55/201197555.db2.gz XYHQBXZPDGXTBH-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP COCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152413308 201197557 /nfs/dbraw/zinc/19/75/57/201197557.db2.gz XYHQBXZPDGXTBH-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000629655214 361560074 /nfs/dbraw/zinc/56/00/74/361560074.db2.gz UFNHXWLXMNVURE-GJZGRUSLSA-N 2 1 247.386 1.847 20 0 BDADMP [NH3+][C@H](CNCC1=CCCOC1)c1ccccc1 ZINC000629647734 361537987 /nfs/dbraw/zinc/53/79/87/361537987.db2.gz GVRUQULSMRZCCK-CQSZACIVSA-N 2 1 232.327 1.623 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccncc1 ZINC000629656114 361561594 /nfs/dbraw/zinc/56/15/94/361561594.db2.gz NFXVADLEEFERNU-SCRDCRAPSA-N 2 1 233.359 1.773 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000163730502 361563344 /nfs/dbraw/zinc/56/33/44/361563344.db2.gz SLUCFEFZDPBQQG-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000163730502 361563349 /nfs/dbraw/zinc/56/33/49/361563349.db2.gz SLUCFEFZDPBQQG-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000629652446 361551485 /nfs/dbraw/zinc/55/14/85/361551485.db2.gz BSLYVTLOMQVEDM-GFCCVEGCSA-N 2 1 207.321 1.463 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629653851 361554944 /nfs/dbraw/zinc/55/49/44/361554944.db2.gz LBTFXRSXCGYFMZ-GFCCVEGCSA-N 2 1 224.348 1.394 20 0 BDADMP Cn1ccc(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000629651924 361557299 /nfs/dbraw/zinc/55/72/99/361557299.db2.gz PCYJUTWFJNSIBT-UHFFFAOYSA-N 2 1 207.321 1.209 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[NH2+][C@H]2C)CCCC1 ZINC000629671928 361593084 /nfs/dbraw/zinc/59/30/84/361593084.db2.gz KIYLAYILWYESQB-WDEREUQCSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@@H]1[C@@H](CO)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000448549296 201219365 /nfs/dbraw/zinc/21/93/65/201219365.db2.gz FQVIVCMGVDDMHA-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1[C@@H](CO)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000448549296 201219366 /nfs/dbraw/zinc/21/93/66/201219366.db2.gz FQVIVCMGVDDMHA-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)CC)[C@@H](C)C1 ZINC000154510949 201281151 /nfs/dbraw/zinc/28/11/51/201281151.db2.gz TUAWICSCQYWHFH-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000435883568 201294582 /nfs/dbraw/zinc/29/45/82/201294582.db2.gz ZTTQKNHIHNQMEC-NSHDSACASA-N 2 1 222.336 1.199 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000435885752 201295675 /nfs/dbraw/zinc/29/56/75/201295675.db2.gz NTMPZBJGCCQLKC-WCQYABFASA-N 2 1 228.380 1.731 20 0 BDADMP C[NH2+]CCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000435885527 201295738 /nfs/dbraw/zinc/29/57/38/201295738.db2.gz LCZMRTFURDYORZ-HNNXBMFYSA-N 2 1 248.370 1.578 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccccc1 ZINC000573379413 364817155 /nfs/dbraw/zinc/81/71/55/364817155.db2.gz GKVVDTLXYJPHQT-CYBMUJFWSA-N 2 1 222.332 1.089 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccccc1 ZINC000573379413 364817158 /nfs/dbraw/zinc/81/71/58/364817158.db2.gz GKVVDTLXYJPHQT-CYBMUJFWSA-N 2 1 222.332 1.089 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000328317586 364826451 /nfs/dbraw/zinc/82/64/51/364826451.db2.gz CVZLSHZRIXVGMF-MCIONIFRSA-N 2 1 238.375 1.223 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000573914375 364943862 /nfs/dbraw/zinc/94/38/62/364943862.db2.gz ZUUZRLAKCDFDRH-HZSPNIEDSA-N 2 1 242.407 1.713 20 0 BDADMP [NH3+]CCCCNc1[nH]c2ccccc2[nH+]1 ZINC000037756927 181377100 /nfs/dbraw/zinc/37/71/00/181377100.db2.gz GYDREHLMEHZRFH-UHFFFAOYSA-N 2 1 204.277 1.714 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCn1ccnc1 ZINC000574031246 364967447 /nfs/dbraw/zinc/96/74/47/364967447.db2.gz HNDNXOSMPHAKCG-QWHCGFSZSA-N 2 1 236.363 1.251 20 0 BDADMP [NH3+]CCC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000037674061 181380820 /nfs/dbraw/zinc/38/08/20/181380820.db2.gz BXFDKRGVQVRNEF-UHFFFAOYSA-N 2 1 240.376 1.004 20 0 BDADMP [NH3+]CCC[N@H+]1CCCN(c2nccs2)CC1 ZINC000037674061 181380821 /nfs/dbraw/zinc/38/08/21/181380821.db2.gz BXFDKRGVQVRNEF-UHFFFAOYSA-N 2 1 240.376 1.004 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@@H](C)CC[NH2+]2)n1 ZINC000574876323 365165001 /nfs/dbraw/zinc/16/50/01/365165001.db2.gz DEEPPGPRZVFHKM-AEJSXWLSSA-N 2 1 238.335 1.281 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC(C)(C)O ZINC000171940774 365257247 /nfs/dbraw/zinc/25/72/47/365257247.db2.gz CLXMTLJGHZDENT-UHFFFAOYSA-N 2 1 216.369 1.421 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000575243502 365267800 /nfs/dbraw/zinc/26/78/00/365267800.db2.gz ANUQXCLPVPKKND-VPOLOUISSA-N 2 1 206.289 1.605 20 0 BDADMP Cc1ncncc1[C@@H](C)NC1CC[NH+](C)CC1 ZINC000575329919 365292246 /nfs/dbraw/zinc/29/22/46/365292246.db2.gz VHLGSTPAFHGNIG-LLVKDONJSA-N 2 1 234.347 1.530 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CNC1(c2ccccc2)CC1 ZINC000576169581 365509129 /nfs/dbraw/zinc/50/91/29/365509129.db2.gz LJCNVEUFUCWPMK-AWEZNQCLSA-N 2 1 248.370 1.578 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)C(C)C ZINC000579854942 367053553 /nfs/dbraw/zinc/05/35/53/367053553.db2.gz PRZKVBOQWHGCMA-STQMWFEESA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)C(C)C ZINC000579854942 367053555 /nfs/dbraw/zinc/05/35/55/367053555.db2.gz PRZKVBOQWHGCMA-STQMWFEESA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H](C)C(C)C ZINC000579854942 367053558 /nfs/dbraw/zinc/05/35/58/367053558.db2.gz PRZKVBOQWHGCMA-STQMWFEESA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H](C)C(C)C ZINC000579854942 367053561 /nfs/dbraw/zinc/05/35/61/367053561.db2.gz PRZKVBOQWHGCMA-STQMWFEESA-N 2 1 230.396 1.665 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000580963193 367220728 /nfs/dbraw/zinc/22/07/28/367220728.db2.gz OXYGDDSFEHQXJP-QWHCGFSZSA-N 2 1 227.396 1.576 20 0 BDADMP C=Cn1cc(CNC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000194352267 367280678 /nfs/dbraw/zinc/28/06/78/367280678.db2.gz IHPXYGSWIZPYBJ-LBPRGKRZSA-N 2 1 234.347 1.415 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000194352267 367280687 /nfs/dbraw/zinc/28/06/87/367280687.db2.gz IHPXYGSWIZPYBJ-LBPRGKRZSA-N 2 1 234.347 1.415 20 0 BDADMP CCc1cnc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000581313626 367342798 /nfs/dbraw/zinc/34/27/98/367342798.db2.gz NEFILFGZFGTKAY-SNVBAGLBSA-N 2 1 237.347 1.796 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](CC(C)C)C1CC1 ZINC000381094462 367350133 /nfs/dbraw/zinc/35/01/33/367350133.db2.gz WCSZFXWDXQRABS-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC(C)C)C1CC1 ZINC000381094462 367350137 /nfs/dbraw/zinc/35/01/37/367350137.db2.gz WCSZFXWDXQRABS-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)C)C1CC1 ZINC000381094462 367350140 /nfs/dbraw/zinc/35/01/40/367350140.db2.gz WCSZFXWDXQRABS-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC(C)C)C1CC1 ZINC000381094462 367350143 /nfs/dbraw/zinc/35/01/43/367350143.db2.gz WCSZFXWDXQRABS-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)C)C1CC1 ZINC000381094462 367350149 /nfs/dbraw/zinc/35/01/49/367350149.db2.gz WCSZFXWDXQRABS-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@H](O)CN(C)CC ZINC000380970776 367326610 /nfs/dbraw/zinc/32/66/10/367326610.db2.gz ALJTXPYELCAPPA-CHWSQXEVSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@@H](C)C[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000380970776 367326614 /nfs/dbraw/zinc/32/66/14/367326614.db2.gz ALJTXPYELCAPPA-CHWSQXEVSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000380970776 367326620 /nfs/dbraw/zinc/32/66/20/367326620.db2.gz ALJTXPYELCAPPA-CHWSQXEVSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@@H](C)C[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000380970776 367326625 /nfs/dbraw/zinc/32/66/25/367326625.db2.gz ALJTXPYELCAPPA-CHWSQXEVSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@@H](C)C[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000380970776 367326631 /nfs/dbraw/zinc/32/66/31/367326631.db2.gz ALJTXPYELCAPPA-CHWSQXEVSA-N 2 1 230.396 1.667 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000382827200 367561405 /nfs/dbraw/zinc/56/14/05/367561405.db2.gz FGTGTFJQEAYGPV-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000383497107 367629352 /nfs/dbraw/zinc/62/93/52/367629352.db2.gz DJGNJBXVVACBBG-OCCSQVGLSA-N 2 1 238.375 1.387 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000383497107 367629355 /nfs/dbraw/zinc/62/93/55/367629355.db2.gz DJGNJBXVVACBBG-OCCSQVGLSA-N 2 1 238.375 1.387 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCCC[C@@H]21 ZINC000383646519 367646367 /nfs/dbraw/zinc/64/63/67/367646367.db2.gz CNCJIUHOAPWEGM-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCCC[C@@H]21 ZINC000383646519 367646373 /nfs/dbraw/zinc/64/63/73/367646373.db2.gz CNCJIUHOAPWEGM-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000383646519 367646378 /nfs/dbraw/zinc/64/63/78/367646378.db2.gz CNCJIUHOAPWEGM-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000383646519 367646386 /nfs/dbraw/zinc/64/63/86/367646386.db2.gz CNCJIUHOAPWEGM-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCCO1 ZINC000383971671 367664895 /nfs/dbraw/zinc/66/48/95/367664895.db2.gz IQLSLQLDKYJJBJ-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP Oc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000384004784 367668557 /nfs/dbraw/zinc/66/85/57/367668557.db2.gz WXYIHZHETRPORL-GFCCVEGCSA-N 2 1 220.316 1.481 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000384806612 367735659 /nfs/dbraw/zinc/73/56/59/367735659.db2.gz ZRTZJYLSAFBIGC-UTUOFQBUSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000384806612 367735663 /nfs/dbraw/zinc/73/56/63/367735663.db2.gz ZRTZJYLSAFBIGC-UTUOFQBUSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)CCOCC[N@@H+](C)C1CC([NH3+])C1 ZINC000384911643 367756038 /nfs/dbraw/zinc/75/60/38/367756038.db2.gz YOSUESKWPYMUQR-UHFFFAOYSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962690 367766743 /nfs/dbraw/zinc/76/67/43/367766743.db2.gz SIFVIQTYQHNOGB-MQYQWHSLSA-N 2 1 240.391 1.872 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccncc2C)C1 ZINC000385035290 367777762 /nfs/dbraw/zinc/77/77/62/367777762.db2.gz LZSAOXNISRFGLX-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccncc2C)C1 ZINC000385035290 367777768 /nfs/dbraw/zinc/77/77/68/367777768.db2.gz LZSAOXNISRFGLX-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C[NH2+]1 ZINC000399219213 367907833 /nfs/dbraw/zinc/90/78/33/367907833.db2.gz JZQWGZSWKVCCEK-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOCC2)C[NH2+]1 ZINC000399219207 367908546 /nfs/dbraw/zinc/90/85/46/367908546.db2.gz JZQWGZSWKVCCEK-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000566229873 326018981 /nfs/dbraw/zinc/01/89/81/326018981.db2.gz QSQAAPSRKBAXPC-ODXJTPSBSA-N 3 1 239.407 1.623 20 0 BDADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385983825 367892574 /nfs/dbraw/zinc/89/25/74/367892574.db2.gz IFGYKDRFNMDHLQ-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385999319 367895549 /nfs/dbraw/zinc/89/55/49/367895549.db2.gz KIZAVDJXCZAMKT-FQUUOJAGSA-N 2 1 239.407 1.589 20 0 BDADMP CC[N@@H+](CCN[C@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000386012161 367896933 /nfs/dbraw/zinc/89/69/33/367896933.db2.gz MVKMNGJPNPTNDX-OCCSQVGLSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](CSC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000566214905 326015446 /nfs/dbraw/zinc/01/54/46/326015446.db2.gz ZKZZPXBBMFJQJC-MNOVXSKESA-N 2 1 232.393 1.000 20 0 BDADMP C[C@H](CSC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000566214905 326015450 /nfs/dbraw/zinc/01/54/50/326015450.db2.gz ZKZZPXBBMFJQJC-MNOVXSKESA-N 2 1 232.393 1.000 20 0 BDADMP C[C@@H]([NH2+]CCc1ccncc1)[C@H]1CCCC[NH2+]1 ZINC000386553327 367990816 /nfs/dbraw/zinc/99/08/16/367990816.db2.gz HJAZTTLGPDEYER-TZMCWYRMSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCCN1 ZINC000386576023 367994933 /nfs/dbraw/zinc/99/49/33/367994933.db2.gz NFGZCINXFITQNT-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386620918 368002701 /nfs/dbraw/zinc/00/27/01/368002701.db2.gz YEGPHOPVBTWZRV-QWHCGFSZSA-N 2 1 227.396 1.447 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC000399255644 368047881 /nfs/dbraw/zinc/04/78/81/368047881.db2.gz ZRWMARUUHFEZHX-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000566423168 326044264 /nfs/dbraw/zinc/04/42/64/326044264.db2.gz BZAKABKPWMNPFX-IJLUTSLNSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)O1 ZINC000253196852 368613194 /nfs/dbraw/zinc/61/31/94/368613194.db2.gz UDXGIRJMVKRDEN-FDYHWXHSSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000623655648 368992038 /nfs/dbraw/zinc/99/20/38/368992038.db2.gz BBHLJHBIVXEUAQ-ZDUSSCGKSA-N 2 1 238.375 1.655 20 0 BDADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000623656522 368993514 /nfs/dbraw/zinc/99/35/14/368993514.db2.gz VYYKPWQGEUCRIW-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656522 368993523 /nfs/dbraw/zinc/99/35/23/368993523.db2.gz VYYKPWQGEUCRIW-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836866 369087521 /nfs/dbraw/zinc/08/75/21/369087521.db2.gz IJKKFVCWYYKODJ-NXEZZACHSA-N 2 1 223.320 1.264 20 0 BDADMP CCc1nocc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836866 369087527 /nfs/dbraw/zinc/08/75/27/369087527.db2.gz IJKKFVCWYYKODJ-NXEZZACHSA-N 2 1 223.320 1.264 20 0 BDADMP C[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459395649 203273700 /nfs/dbraw/zinc/27/37/00/203273700.db2.gz BIOQTTJBFYCJEW-UPJWGTAASA-N 2 1 240.391 1.610 20 0 BDADMP COC(C)(C)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000404296514 369425921 /nfs/dbraw/zinc/42/59/21/369425921.db2.gz CWBVTNBPXLMXAW-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP C=Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459730621 203344461 /nfs/dbraw/zinc/34/44/61/203344461.db2.gz DYTGEEMTWZGEBY-CYBMUJFWSA-N 2 1 248.374 1.805 20 0 BDADMP C[C@H](Cc1[nH]cc[nH+]1)OCC[C@H]1CC[NH2+]C1 ZINC000567810838 326260907 /nfs/dbraw/zinc/26/09/07/326260907.db2.gz JJYKOFHTHBWDSJ-GHMZBOCLSA-N 2 1 223.320 1.357 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794074 203370335 /nfs/dbraw/zinc/37/03/35/203370335.db2.gz WKUMNESDURCBIS-SAXRGWBVSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794074 203370336 /nfs/dbraw/zinc/37/03/36/203370336.db2.gz WKUMNESDURCBIS-SAXRGWBVSA-N 2 1 238.375 1.220 20 0 BDADMP COCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889629 326277059 /nfs/dbraw/zinc/27/70/59/326277059.db2.gz DHYKJGONSFGWRK-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000309805195 370263599 /nfs/dbraw/zinc/26/35/99/370263599.db2.gz RZALYVBQYPKAIV-SDDRHHMPSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309884820 370272082 /nfs/dbraw/zinc/27/20/82/370272082.db2.gz XRFCBWKWMYPXQO-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](CC)CC ZINC000066124916 370552627 /nfs/dbraw/zinc/55/26/27/370552627.db2.gz QRJMJQBIEBTNHT-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CN1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000621776484 370524189 /nfs/dbraw/zinc/52/41/89/370524189.db2.gz MRZQBRSSTDYNTJ-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CCn1cc(CC[N@H+](C)CC(C)(C)[NH3+])cn1 ZINC000621776573 370524458 /nfs/dbraw/zinc/52/44/58/370524458.db2.gz OZZAOCMFPFYFOX-UHFFFAOYSA-N 2 1 224.352 1.115 20 0 BDADMP CCn1cc(CC[N@@H+](C)CC(C)(C)[NH3+])cn1 ZINC000621776573 370524463 /nfs/dbraw/zinc/52/44/63/370524463.db2.gz OZZAOCMFPFYFOX-UHFFFAOYSA-N 2 1 224.352 1.115 20 0 BDADMP CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621777338 370526055 /nfs/dbraw/zinc/52/60/55/370526055.db2.gz AWRVAVAJAIXPSS-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621777338 370526061 /nfs/dbraw/zinc/52/60/61/370526061.db2.gz AWRVAVAJAIXPSS-NWDGAFQWSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC1CCC1)C2 ZINC000621783437 370533448 /nfs/dbraw/zinc/53/34/48/370533448.db2.gz BLBYCVNFZMQEIT-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623824042 371108226 /nfs/dbraw/zinc/10/82/26/371108226.db2.gz VMGYQAGMNXPKJI-IGQOVBAYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCCO1 ZINC000623963676 371199864 /nfs/dbraw/zinc/19/98/64/371199864.db2.gz MNCBEZYCVBLNCI-AAEUAGOBSA-N 2 1 237.347 1.510 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000624120538 371321201 /nfs/dbraw/zinc/32/12/01/371321201.db2.gz BKGAUVXZRUMSKN-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624121030 371321396 /nfs/dbraw/zinc/32/13/96/371321396.db2.gz MCFQJCHQSUYFLK-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)(F)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631189244 372222624 /nfs/dbraw/zinc/22/26/24/372222624.db2.gz QLSLQXFAZSQQIT-WDEREUQCSA-N 2 1 214.328 1.951 20 0 BDADMP CC(C)(F)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631189244 372222632 /nfs/dbraw/zinc/22/26/32/372222632.db2.gz QLSLQXFAZSQQIT-WDEREUQCSA-N 2 1 214.328 1.951 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H]2C)CC[C@@H]1[NH3+] ZINC000631824806 372603511 /nfs/dbraw/zinc/60/35/11/372603511.db2.gz QTTPCWQSEHPCJK-NDBYEHHHSA-N 2 1 226.364 1.471 20 0 BDADMP CC[N@H+](Cc1nccnc1C)[C@@H]1CCC[NH2+]CC1 ZINC000631823688 372602425 /nfs/dbraw/zinc/60/24/25/372602425.db2.gz LNDXHFCWYRHXBG-CYBMUJFWSA-N 2 1 248.374 1.749 20 0 BDADMP CC[N@@H+](Cc1nccnc1C)[C@@H]1CCC[NH2+]CC1 ZINC000631823688 372602431 /nfs/dbraw/zinc/60/24/31/372602431.db2.gz LNDXHFCWYRHXBG-CYBMUJFWSA-N 2 1 248.374 1.749 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000631827201 372607963 /nfs/dbraw/zinc/60/79/63/372607963.db2.gz HUBKJBHPKQCBFD-NDBYEHHHSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631827983 372609126 /nfs/dbraw/zinc/60/91/26/372609126.db2.gz BHTGVOBNCRJMJN-XHJNMGKDSA-N 2 1 240.391 1.717 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@H+](CCn2cccn2)C1 ZINC000631833799 372617663 /nfs/dbraw/zinc/61/76/63/372617663.db2.gz JEUHTJJJWMHESB-GFCCVEGCSA-N 2 1 222.336 1.086 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@@H+](CCn2cccn2)C1 ZINC000631833799 372617669 /nfs/dbraw/zinc/61/76/69/372617669.db2.gz JEUHTJJJWMHESB-GFCCVEGCSA-N 2 1 222.336 1.086 20 0 BDADMP Cn1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1=O ZINC000631834123 372618490 /nfs/dbraw/zinc/61/84/90/372618490.db2.gz PGMPMHFNERANQX-ZDUSSCGKSA-N 2 1 249.358 1.089 20 0 BDADMP Cn1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1=O ZINC000631834123 372618498 /nfs/dbraw/zinc/61/84/98/372618498.db2.gz PGMPMHFNERANQX-ZDUSSCGKSA-N 2 1 249.358 1.089 20 0 BDADMP COCc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838891 372633290 /nfs/dbraw/zinc/63/32/90/372633290.db2.gz WNLLCTYAIKEGJR-IUODEOHRSA-N 2 1 248.370 1.860 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631853358 372653400 /nfs/dbraw/zinc/65/34/00/372653400.db2.gz VPJNHRRFABSUGT-BETUJISGSA-N 2 1 234.347 1.018 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826347 372606048 /nfs/dbraw/zinc/60/60/48/372606048.db2.gz LJBNANBEKHBWLU-IGQOVBAYSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000631826398 372606087 /nfs/dbraw/zinc/60/60/87/372606087.db2.gz MMQQCWBYTCLTFW-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP FC(F)[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000631866178 372666797 /nfs/dbraw/zinc/66/67/97/372666797.db2.gz UWQPDUWVMNFGTL-GHMZBOCLSA-N 2 1 248.317 1.342 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889693 372683655 /nfs/dbraw/zinc/68/36/55/372683655.db2.gz LOZCJTGBPAKXPT-UKRRQHHQSA-N 2 1 245.370 1.843 20 0 BDADMP FCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891131 372686350 /nfs/dbraw/zinc/68/63/50/372686350.db2.gz WDHSFMQTZTVAFX-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP FCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891131 372686355 /nfs/dbraw/zinc/68/63/55/372686355.db2.gz WDHSFMQTZTVAFX-MNOVXSKESA-N 2 1 200.301 1.420 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000459415045 206012067 /nfs/dbraw/zinc/01/20/67/206012067.db2.gz ZJRPODQAHAINFP-QWHCGFSZSA-N 2 1 237.347 1.510 20 0 BDADMP Cc1nocc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459733370 206014068 /nfs/dbraw/zinc/01/40/68/206014068.db2.gz GNHZFIRJVLADCL-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cn[nH]c1 ZINC000424378657 206039510 /nfs/dbraw/zinc/03/95/10/206039510.db2.gz NZXGBTHTTJJBAO-SCZZXKLOSA-N 2 1 244.289 1.305 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000450449631 206103680 /nfs/dbraw/zinc/10/36/80/206103680.db2.gz FRASPVFNMOZFRF-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)[N@@H+](CCc1cncn1C)[C@@H]1CCOC1 ZINC000459500635 206132035 /nfs/dbraw/zinc/13/20/35/206132035.db2.gz NARMVWOOYOOLSE-CYBMUJFWSA-N 2 1 237.347 1.462 20 0 BDADMP OC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000336711313 183019185 /nfs/dbraw/zinc/01/91/85/183019185.db2.gz LZVXKKAWVWOWPK-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP OCCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371205587 183054487 /nfs/dbraw/zinc/05/44/87/183054487.db2.gz AQHDQRXXVRQBGJ-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000358567248 169071896 /nfs/dbraw/zinc/07/18/96/169071896.db2.gz PCGPSGSNFRKIDA-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336738998 169123429 /nfs/dbraw/zinc/12/34/29/169123429.db2.gz OQZSKHNNYMERLD-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336738998 169123431 /nfs/dbraw/zinc/12/34/31/169123431.db2.gz OQZSKHNNYMERLD-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336738998 169123432 /nfs/dbraw/zinc/12/34/32/169123432.db2.gz OQZSKHNNYMERLD-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@H](O)CN(C)C1CC1 ZINC000310240636 169106126 /nfs/dbraw/zinc/10/61/26/169106126.db2.gz CYGIOWSQVZWRKV-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310240636 169106128 /nfs/dbraw/zinc/10/61/28/169106128.db2.gz CYGIOWSQVZWRKV-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310240636 169106130 /nfs/dbraw/zinc/10/61/30/169106130.db2.gz CYGIOWSQVZWRKV-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310240636 169106132 /nfs/dbraw/zinc/10/61/32/169106132.db2.gz CYGIOWSQVZWRKV-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310240636 169106135 /nfs/dbraw/zinc/10/61/35/169106135.db2.gz CYGIOWSQVZWRKV-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[N@@H+](CCOCC[NH3+])C[C@H]1CCCCO1 ZINC000357087332 169168903 /nfs/dbraw/zinc/16/89/03/169168903.db2.gz MXZGPOIUZMAOAL-CYBMUJFWSA-N 2 1 244.379 1.243 20 0 BDADMP CCC[N@@H+](CCOC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748473 169169197 /nfs/dbraw/zinc/16/91/97/169169197.db2.gz ZHFRHFDMAFHROB-FUNVUKJBSA-N 2 1 226.364 1.628 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCCCCO)CC1 ZINC000304314553 169186573 /nfs/dbraw/zinc/18/65/73/169186573.db2.gz NRSPOWXYQHAHJN-UHFFFAOYSA-N 2 1 242.407 1.955 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCOC)CC1 ZINC000109788428 169187582 /nfs/dbraw/zinc/18/75/82/169187582.db2.gz YQJVVILFEXLMTD-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCOC ZINC000336779518 169199874 /nfs/dbraw/zinc/19/98/74/169199874.db2.gz ONRUVLDRYVZTJP-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCOC ZINC000336779518 169199875 /nfs/dbraw/zinc/19/98/75/169199875.db2.gz ONRUVLDRYVZTJP-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[NH3+])c2C1 ZINC000236788941 169210950 /nfs/dbraw/zinc/21/09/50/169210950.db2.gz GNCKRIOGCVPHJC-UHFFFAOYSA-N 2 1 247.342 1.700 20 0 BDADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[NH3+])c2C1 ZINC000236788941 169210951 /nfs/dbraw/zinc/21/09/51/169210951.db2.gz GNCKRIOGCVPHJC-UHFFFAOYSA-N 2 1 247.342 1.700 20 0 BDADMP c1cc2c(c(C[NH2+][C@@H]3CCC[NH2+]CC3)c1)OCO2 ZINC000129173399 183352100 /nfs/dbraw/zinc/35/21/00/183352100.db2.gz FRFKYFGGHGNLIC-GFCCVEGCSA-N 2 1 248.326 1.647 20 0 BDADMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1OCC2 ZINC000096477830 183368401 /nfs/dbraw/zinc/36/84/01/183368401.db2.gz KSOMJVRYCGZNEI-OKILXGFUSA-N 2 1 244.338 1.273 20 0 BDADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1OCC2 ZINC000096477830 183368403 /nfs/dbraw/zinc/36/84/03/183368403.db2.gz KSOMJVRYCGZNEI-OKILXGFUSA-N 2 1 244.338 1.273 20 0 BDADMP CCC[NH2+]CCNc1cc(C)[nH+]c(C)n1 ZINC000054267443 169260819 /nfs/dbraw/zinc/26/08/19/169260819.db2.gz JKNJSEFIRNYMHO-UHFFFAOYSA-N 2 1 208.309 1.505 20 0 BDADMP CCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340659180 169393993 /nfs/dbraw/zinc/39/39/93/169393993.db2.gz OURQPPVSCWQVKF-LLVKDONJSA-N 2 1 246.314 1.995 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C)CCC1)C1CC1 ZINC000309386853 383867030 /nfs/dbraw/zinc/86/70/30/383867030.db2.gz HCINOFDYZBOGTN-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C)CCC1)C1CC1 ZINC000309386853 383867035 /nfs/dbraw/zinc/86/70/35/383867035.db2.gz HCINOFDYZBOGTN-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP COC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)C(C)C ZINC000368103631 383876625 /nfs/dbraw/zinc/87/66/25/383876625.db2.gz XPSASXIQFVEYLX-GXFFZTMASA-N 2 1 237.347 1.528 20 0 BDADMP Cc1cc(NCC[N@@H+]2CCCC[C@@H]2C)nc(C)n1 ZINC000338990679 383878323 /nfs/dbraw/zinc/87/83/23/383878323.db2.gz SIKUNOWXSYAUJJ-LBPRGKRZSA-N 2 1 248.374 1.802 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000069626594 383832975 /nfs/dbraw/zinc/83/29/75/383832975.db2.gz OLYAJENJVRUXJK-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000069626592 383833777 /nfs/dbraw/zinc/83/37/77/383833777.db2.gz OLYAJENJVRUXJK-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@@H](C[NH2+]Cc1cncnc1)C[NH+]1CCCCC1 ZINC000054768029 383978454 /nfs/dbraw/zinc/97/84/54/383978454.db2.gz KMQGJEILNFVSBM-ZDUSSCGKSA-N 2 1 248.374 1.688 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000278467006 384001937 /nfs/dbraw/zinc/00/19/37/384001937.db2.gz GJLXZVWYOKWLOH-CYBMUJFWSA-N 2 1 222.332 1.531 20 0 BDADMP COC(=O)CCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227734946 134386168 /nfs/dbraw/zinc/38/61/68/134386168.db2.gz DLNNWNFMWNJNEC-LLVKDONJSA-N 2 1 230.352 1.245 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000400233467 383943716 /nfs/dbraw/zinc/94/37/16/383943716.db2.gz SXLRCJADUIIUPS-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000313156895 383965131 /nfs/dbraw/zinc/96/51/31/383965131.db2.gz ODMCRFVZHKZOTP-CHWSQXEVSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546758 384017307 /nfs/dbraw/zinc/01/73/07/384017307.db2.gz UNQZLSVPRYLOEF-FRRDWIJNSA-N 2 1 237.391 1.201 20 0 BDADMP C[NH+]1CCC(CCO)([NH2+]CC2(C)CC2)CC1 ZINC000518562535 384017893 /nfs/dbraw/zinc/01/78/93/384017893.db2.gz KFGRPACYRXZESI-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163141583 384012547 /nfs/dbraw/zinc/01/25/47/384012547.db2.gz JJZAOMFPFCVFCV-NXEZZACHSA-N 2 1 202.367 1.409 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000336521413 384049949 /nfs/dbraw/zinc/04/99/49/384049949.db2.gz TUDWFBJTLPMYGU-CYBMUJFWSA-N 2 1 237.391 1.062 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000569471699 384096727 /nfs/dbraw/zinc/09/67/27/384096727.db2.gz KTHWDAYZHLPJQW-NEPJUHHUSA-N 3 1 213.369 1.234 20 0 BDADMP Cc1noc(CCC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000517754725 384097257 /nfs/dbraw/zinc/09/72/57/384097257.db2.gz FNMYCAPWGRTPLC-ONGXEEELSA-N 2 1 238.335 1.122 20 0 BDADMP Cc1noc(CCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000517754725 384097262 /nfs/dbraw/zinc/09/72/62/384097262.db2.gz FNMYCAPWGRTPLC-ONGXEEELSA-N 2 1 238.335 1.122 20 0 BDADMP CN(C)c1nc(N[C@H](C[NH3+])C2CCCC2)cc[nH+]1 ZINC000234275086 384116609 /nfs/dbraw/zinc/11/66/09/384116609.db2.gz ZJMDZZVINRXOGP-LLVKDONJSA-N 2 1 249.362 1.472 20 0 BDADMP COC1(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000310539230 384191019 /nfs/dbraw/zinc/19/10/19/384191019.db2.gz BQQDKHNOUITWAW-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1(OC)CCCC1 ZINC000319218826 384214529 /nfs/dbraw/zinc/21/45/29/384214529.db2.gz SOMZCDAFKONPLG-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1(OC)CCCC1 ZINC000319218826 384214533 /nfs/dbraw/zinc/21/45/33/384214533.db2.gz SOMZCDAFKONPLG-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000336605261 384227693 /nfs/dbraw/zinc/22/76/93/384227693.db2.gz WZXOFTXERAHYBP-UHFFFAOYSA-N 2 1 248.374 1.778 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000336605261 384227702 /nfs/dbraw/zinc/22/77/02/384227702.db2.gz WZXOFTXERAHYBP-UHFFFAOYSA-N 2 1 248.374 1.778 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000336605261 384227706 /nfs/dbraw/zinc/22/77/06/384227706.db2.gz WZXOFTXERAHYBP-UHFFFAOYSA-N 2 1 248.374 1.778 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000336605261 384227711 /nfs/dbraw/zinc/22/77/11/384227711.db2.gz WZXOFTXERAHYBP-UHFFFAOYSA-N 2 1 248.374 1.778 20 0 BDADMP C[N@H+](Cc1cnc2ccccn12)CC(C)(C)C[NH3+] ZINC000647505919 384276886 /nfs/dbraw/zinc/27/68/86/384276886.db2.gz QLMJZNRGAVRIGK-UHFFFAOYSA-N 2 1 246.358 1.751 20 0 BDADMP C[N@@H+](Cc1cnc2ccccn12)CC(C)(C)C[NH3+] ZINC000647505919 384276893 /nfs/dbraw/zinc/27/68/93/384276893.db2.gz QLMJZNRGAVRIGK-UHFFFAOYSA-N 2 1 246.358 1.751 20 0 BDADMP Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000313343434 384274542 /nfs/dbraw/zinc/27/45/42/384274542.db2.gz BSSSAFOTJUPSIL-OAHLLOKOSA-N 2 1 248.370 1.853 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCC2)CCCO1 ZINC000313348364 384276808 /nfs/dbraw/zinc/27/68/08/384276808.db2.gz SWYCFTFIHCXNTC-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC)[C@H](C)C1 ZINC000174782312 384365673 /nfs/dbraw/zinc/36/56/73/384365673.db2.gz JAWICQBOHYXGHG-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC)[C@H](C)C1 ZINC000174782312 384365676 /nfs/dbraw/zinc/36/56/76/384365676.db2.gz JAWICQBOHYXGHG-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC)[C@H](C)C1 ZINC000174782312 384365683 /nfs/dbraw/zinc/36/56/83/384365683.db2.gz JAWICQBOHYXGHG-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccns1 ZINC000405436424 384332564 /nfs/dbraw/zinc/33/25/64/384332564.db2.gz CGJWCTVXZBPEEF-BDAKNGLRSA-N 2 1 211.334 1.359 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2ccccn2)C[C@@H]1[NH3+] ZINC000405437286 384334825 /nfs/dbraw/zinc/33/48/25/384334825.db2.gz CLSXJBTWGYPWBS-WDEREUQCSA-N 2 1 205.305 1.297 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)[C@@H](C)C1 ZINC000449430542 384395371 /nfs/dbraw/zinc/39/53/71/384395371.db2.gz XTZRRXDPPUKQCH-RFQIPJPRSA-N 2 1 240.391 1.467 20 0 BDADMP CO[C@@H](CC(C)C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000642705284 384413926 /nfs/dbraw/zinc/41/39/26/384413926.db2.gz ILTLNBINXXMAFR-MJBXVCDLSA-N 2 1 240.391 1.541 20 0 BDADMP CO[C@@H](CC(C)C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000642705284 384413936 /nfs/dbraw/zinc/41/39/36/384413936.db2.gz ILTLNBINXXMAFR-MJBXVCDLSA-N 2 1 240.391 1.541 20 0 BDADMP CO[C@@H](CC(C)C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000642705284 384413948 /nfs/dbraw/zinc/41/39/48/384413948.db2.gz ILTLNBINXXMAFR-MJBXVCDLSA-N 2 1 240.391 1.541 20 0 BDADMP COC(CN1CCC2(CCC[N@H+]2C)CC1)OC ZINC000368420130 384420278 /nfs/dbraw/zinc/42/02/78/384420278.db2.gz RFOPACDDUHNKHP-UHFFFAOYSA-N 2 1 242.363 1.166 20 0 BDADMP Cc1csc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084220289 384377243 /nfs/dbraw/zinc/37/72/43/384377243.db2.gz PPSUVLNZMOZAAS-UWVGGRQHSA-N 2 1 225.361 1.669 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000276205713 384439470 /nfs/dbraw/zinc/43/94/70/384439470.db2.gz AEUHDKKBFTXLDK-JQWIXIFHSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@H]1CSC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335660322 384462031 /nfs/dbraw/zinc/46/20/31/384462031.db2.gz CRDMLIOEUPJRPY-JQWIXIFHSA-N 2 1 226.389 1.589 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000647176656 384498436 /nfs/dbraw/zinc/49/84/36/384498436.db2.gz SMFIUEYWWOVVBH-WCQYABFASA-N 2 1 238.375 1.770 20 0 BDADMP [NH3+]CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000564458065 384509563 /nfs/dbraw/zinc/50/95/63/384509563.db2.gz NFVJFPDRGDZWAX-UHFFFAOYSA-N 2 1 245.330 1.523 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N)nc2)CCN1C ZINC000647517463 384490715 /nfs/dbraw/zinc/49/07/15/384490715.db2.gz ORVXTIISIDJKCF-WCQYABFASA-N 2 1 248.374 1.409 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCCCC1 ZINC000150198949 384491328 /nfs/dbraw/zinc/49/13/28/384491328.db2.gz GVKXLSJPTRUKLX-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP COCCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000306055830 384531795 /nfs/dbraw/zinc/53/17/95/384531795.db2.gz UVPXWYUONKXCEG-CABCVRRESA-N 2 1 248.370 1.697 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000236712290 384554663 /nfs/dbraw/zinc/55/46/63/384554663.db2.gz ISWFAMIELSFRKH-LBPRGKRZSA-N 2 1 243.395 1.208 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(O)c1 ZINC000019958879 384563473 /nfs/dbraw/zinc/56/34/73/384563473.db2.gz ZPQJTBIHRHAYJS-LLVKDONJSA-N 2 1 222.332 1.995 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000151103161 384540080 /nfs/dbraw/zinc/54/00/80/384540080.db2.gz VMTVFTDPBUCSTM-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)CCCn1ccnc1 ZINC000050068885 384590422 /nfs/dbraw/zinc/59/04/22/384590422.db2.gz HKBDRCUGXBWSOK-NSHDSACASA-N 2 1 239.319 1.014 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000647531655 384633232 /nfs/dbraw/zinc/63/32/32/384633232.db2.gz PBVLFSZABSQFCN-BFHYXJOUSA-N 2 1 239.407 1.304 20 0 BDADMP CC(C)[C@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000647531655 384633241 /nfs/dbraw/zinc/63/32/41/384633241.db2.gz PBVLFSZABSQFCN-BFHYXJOUSA-N 2 1 239.407 1.304 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)COC)C1 ZINC000176279002 384592325 /nfs/dbraw/zinc/59/23/25/384592325.db2.gz SEYQZIOBZCKIPZ-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC000176279002 384592330 /nfs/dbraw/zinc/59/23/30/384592330.db2.gz SEYQZIOBZCKIPZ-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC000176279002 384592333 /nfs/dbraw/zinc/59/23/33/384592333.db2.gz SEYQZIOBZCKIPZ-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP Cc1cn2c(n1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000647538049 384665107 /nfs/dbraw/zinc/66/51/07/384665107.db2.gz DHOJOYTXTWNEPJ-UHFFFAOYSA-N 2 1 234.347 1.007 20 0 BDADMP Cc1cn2c(n1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000647538049 384665113 /nfs/dbraw/zinc/66/51/13/384665113.db2.gz DHOJOYTXTWNEPJ-UHFFFAOYSA-N 2 1 234.347 1.007 20 0 BDADMP CCc1cc(NC[C@H](C)C[NH+](C)C)nc(C)[nH+]1 ZINC000291636874 384672170 /nfs/dbraw/zinc/67/21/70/384672170.db2.gz AWPXGFBJHRNWBW-JTQLQIEISA-N 2 1 236.363 1.957 20 0 BDADMP CC[C@](C)(O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185190902 384692657 /nfs/dbraw/zinc/69/26/57/384692657.db2.gz KPZQVPDCCJVYOM-ZDUSSCGKSA-N 2 1 237.347 1.398 20 0 BDADMP Cc1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041231928 384707799 /nfs/dbraw/zinc/70/77/99/384707799.db2.gz APGIRYXQBIINQD-UHFFFAOYSA-N 2 1 218.344 1.833 20 0 BDADMP Cc1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041231928 384707806 /nfs/dbraw/zinc/70/78/06/384707806.db2.gz APGIRYXQBIINQD-UHFFFAOYSA-N 2 1 218.344 1.833 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543198 384712928 /nfs/dbraw/zinc/71/29/28/384712928.db2.gz JFLKSSPHNLVXEF-OLZOCXBDSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543198 384712938 /nfs/dbraw/zinc/71/29/38/384712938.db2.gz JFLKSSPHNLVXEF-OLZOCXBDSA-N 2 1 239.407 1.435 20 0 BDADMP c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000647544002 384716086 /nfs/dbraw/zinc/71/60/86/384716086.db2.gz VJQODPSQXJMBDM-OLZOCXBDSA-N 2 1 249.358 1.886 20 0 BDADMP FCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308452458 384729635 /nfs/dbraw/zinc/72/96/35/384729635.db2.gz CRYZBEVTHKMDRK-PHIMTYICSA-N 2 1 200.301 1.277 20 0 BDADMP Nc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)cn1 ZINC000647546634 384732471 /nfs/dbraw/zinc/73/24/71/384732471.db2.gz SPYTTWYJGQCCEJ-UHFFFAOYSA-N 2 1 248.374 1.635 20 0 BDADMP CC[N@H+](C)CCNC(=[NH2+])Nc1ccccc1 ZINC000052345281 384733658 /nfs/dbraw/zinc/73/36/58/384733658.db2.gz WHPLLMWOFWXGGR-UHFFFAOYSA-N 2 1 220.320 1.575 20 0 BDADMP CC[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1 ZINC000052345281 384733667 /nfs/dbraw/zinc/73/36/67/384733667.db2.gz WHPLLMWOFWXGGR-UHFFFAOYSA-N 2 1 220.320 1.575 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546748 384734767 /nfs/dbraw/zinc/73/47/67/384734767.db2.gz ZZVTWTYCLPRHCY-IGQOVBAYSA-N 3 1 239.407 1.482 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000647551697 384752676 /nfs/dbraw/zinc/75/26/76/384752676.db2.gz DCWBSMDOSNWDRU-CKIKVBCHSA-N 2 1 208.349 1.763 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)n1 ZINC000647551311 384753628 /nfs/dbraw/zinc/75/36/28/384753628.db2.gz GNEKNJOZTXFLBA-RISCZKNCSA-N 2 1 233.359 1.520 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223563487 384758864 /nfs/dbraw/zinc/75/88/64/384758864.db2.gz QFLUMODUCVCOFD-GXSJLCMTSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223563487 384758870 /nfs/dbraw/zinc/75/88/70/384758870.db2.gz QFLUMODUCVCOFD-GXSJLCMTSA-N 2 1 238.306 1.700 20 0 BDADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCOCC[NH3+])C1(C)C ZINC000357103675 384819068 /nfs/dbraw/zinc/81/90/68/384819068.db2.gz KOEDLGSUYIDHJE-NWDGAFQWSA-N 2 1 244.379 1.097 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423358840 384833157 /nfs/dbraw/zinc/83/31/57/384833157.db2.gz CENPAJAVCWZBCI-TUAOUCFPSA-N 2 1 234.347 1.706 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000403654582 384834648 /nfs/dbraw/zinc/83/46/48/384834648.db2.gz RVEMTLOCIQNYEK-CIQGVGRVSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000403654582 384834658 /nfs/dbraw/zinc/83/46/58/384834658.db2.gz RVEMTLOCIQNYEK-CIQGVGRVSA-N 2 1 238.375 1.220 20 0 BDADMP CCSCC[N@H+](C)[C@@H](CN)C1CC1 ZINC000126716757 384794033 /nfs/dbraw/zinc/79/40/33/384794033.db2.gz UXFXGPXLWWQOKO-JTQLQIEISA-N 2 1 202.367 1.409 20 0 BDADMP CCSCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126716757 384794044 /nfs/dbraw/zinc/79/40/44/384794044.db2.gz UXFXGPXLWWQOKO-JTQLQIEISA-N 2 1 202.367 1.409 20 0 BDADMP CCSCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126716757 384794050 /nfs/dbraw/zinc/79/40/50/384794050.db2.gz UXFXGPXLWWQOKO-JTQLQIEISA-N 2 1 202.367 1.409 20 0 BDADMP C[C@H](C[NH3+])N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423329115 384805315 /nfs/dbraw/zinc/80/53/15/384805315.db2.gz ONTCNTMWCFBINT-SNPRPXQTSA-N 2 1 247.386 1.759 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCO1)CC2 ZINC000336235491 384838396 /nfs/dbraw/zinc/83/83/96/384838396.db2.gz RZWOEAAPNFZCCF-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCO1)CC2 ZINC000336235491 384838402 /nfs/dbraw/zinc/83/84/02/384838402.db2.gz RZWOEAAPNFZCCF-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[C@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358259136 384867267 /nfs/dbraw/zinc/86/72/67/384867267.db2.gz ULKDDHCJKLFZDQ-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](CC1CCCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358259136 384867278 /nfs/dbraw/zinc/86/72/78/384867278.db2.gz ULKDDHCJKLFZDQ-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1ccc(C)c(CNC[C@H]2C[NH2+]CCO2)c1 ZINC000258918039 384951226 /nfs/dbraw/zinc/95/12/26/384951226.db2.gz MXLHAEIWKKIWDN-CQSZACIVSA-N 2 1 234.343 1.381 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nc1 ZINC000156600301 384904907 /nfs/dbraw/zinc/90/49/07/384904907.db2.gz AHPGTKFGQKDJNP-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000336145833 384924453 /nfs/dbraw/zinc/92/44/53/384924453.db2.gz NKWMORNLNRXPAB-TZMCWYRMSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336145833 384924460 /nfs/dbraw/zinc/92/44/60/384924460.db2.gz NKWMORNLNRXPAB-TZMCWYRMSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336145833 384924465 /nfs/dbraw/zinc/92/44/65/384924465.db2.gz NKWMORNLNRXPAB-TZMCWYRMSA-N 3 1 237.391 1.178 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336145833 384924470 /nfs/dbraw/zinc/92/44/70/384924470.db2.gz NKWMORNLNRXPAB-TZMCWYRMSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336145833 384924477 /nfs/dbraw/zinc/92/44/77/384924477.db2.gz NKWMORNLNRXPAB-TZMCWYRMSA-N 2 1 237.391 1.178 20 0 BDADMP c1cncc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000258784733 384942818 /nfs/dbraw/zinc/94/28/18/384942818.db2.gz QXHWPEZZDCDDHK-GFCCVEGCSA-N 2 1 205.305 1.313 20 0 BDADMP Cc1ccccc1CNC[C@@H]1C[NH2+]CCO1 ZINC000258893612 384944682 /nfs/dbraw/zinc/94/46/82/384944682.db2.gz KGUOBAZVNWEBSO-ZDUSSCGKSA-N 2 1 220.316 1.073 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](CCn2ccnc2)C1 ZINC000364125189 385021238 /nfs/dbraw/zinc/02/12/38/385021238.db2.gz IMQWNHMMXOMRCT-CYBMUJFWSA-N 2 1 237.347 1.632 20 0 BDADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)sn1 ZINC000404405115 384976697 /nfs/dbraw/zinc/97/66/97/384976697.db2.gz CMXKEQAKHFNNFA-UHFFFAOYSA-N 2 1 237.372 1.803 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000234833501 384979960 /nfs/dbraw/zinc/97/99/60/384979960.db2.gz ZVGPINTUKXLBDV-WDEREUQCSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000234833501 384979962 /nfs/dbraw/zinc/97/99/62/384979962.db2.gz ZVGPINTUKXLBDV-WDEREUQCSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000307278668 384980790 /nfs/dbraw/zinc/98/07/90/384980790.db2.gz VCMWWPNJSUGHCZ-GARJFASQSA-N 2 1 214.378 1.612 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000360236106 384981122 /nfs/dbraw/zinc/98/11/22/384981122.db2.gz AAUDLAVIKQYMND-HNNXBMFYSA-N 2 1 248.370 1.794 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)sn1 ZINC000404415898 384982426 /nfs/dbraw/zinc/98/24/26/384982426.db2.gz NSDSBGUVBVNBPN-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)sn1 ZINC000404415898 384982431 /nfs/dbraw/zinc/98/24/31/384982431.db2.gz NSDSBGUVBVNBPN-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccns1 ZINC000404413944 384982697 /nfs/dbraw/zinc/98/26/97/384982697.db2.gz LSOYWYJLWPXXJK-UHFFFAOYSA-N 2 1 222.317 1.438 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CO1 ZINC000401870428 384995613 /nfs/dbraw/zinc/99/56/13/384995613.db2.gz BOJCYLBFUMJNOH-WYUUTHIRSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CO1 ZINC000401870428 384995620 /nfs/dbraw/zinc/99/56/20/384995620.db2.gz BOJCYLBFUMJNOH-WYUUTHIRSA-N 2 1 212.337 1.236 20 0 BDADMP CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000644603631 384997053 /nfs/dbraw/zinc/99/70/53/384997053.db2.gz JHANKDQCOYSKHP-UONOGXRCSA-N 2 1 242.407 1.715 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000644600964 385003881 /nfs/dbraw/zinc/00/38/81/385003881.db2.gz FVBRQLAAYHTNMR-NEPJUHHUSA-N 2 1 243.395 1.173 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCC[NH+](C)C1 ZINC000259128597 384961782 /nfs/dbraw/zinc/96/17/82/384961782.db2.gz WMUPMUNUZQPUTQ-KBPBESRZSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@H+](C)C1 ZINC000259128597 384961790 /nfs/dbraw/zinc/96/17/90/384961790.db2.gz WMUPMUNUZQPUTQ-KBPBESRZSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000259128597 384961794 /nfs/dbraw/zinc/96/17/94/384961794.db2.gz WMUPMUNUZQPUTQ-KBPBESRZSA-N 3 1 239.407 1.260 20 0 BDADMP CN1CCC[C@H](C[N@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000259128597 384961802 /nfs/dbraw/zinc/96/18/02/384961802.db2.gz WMUPMUNUZQPUTQ-KBPBESRZSA-N 2 1 239.407 1.260 20 0 BDADMP CN1CCC[C@H](C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000259128597 384961804 /nfs/dbraw/zinc/96/18/04/384961804.db2.gz WMUPMUNUZQPUTQ-KBPBESRZSA-N 2 1 239.407 1.260 20 0 BDADMP CC1(C)CCC[C@@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000566230468 384964695 /nfs/dbraw/zinc/96/46/95/384964695.db2.gz DCLOVVXVMFLWRF-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP CC1(C)CCC[C@@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000566230468 384964698 /nfs/dbraw/zinc/96/46/98/384964698.db2.gz DCLOVVXVMFLWRF-OLZOCXBDSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)NC(C)(C)C ZINC000404765792 385056241 /nfs/dbraw/zinc/05/62/41/385056241.db2.gz GEJWOSLBHDPZPN-AEJSXWLSSA-N 2 1 241.379 1.005 20 0 BDADMP CS[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000306535358 385058333 /nfs/dbraw/zinc/05/83/33/385058333.db2.gz JVGQAPFWAOISCP-QWRGUYRKSA-N 2 1 214.378 1.564 20 0 BDADMP CC[C@H](C)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313347216 385077543 /nfs/dbraw/zinc/07/75/43/385077543.db2.gz KBKBQKPNLVPRLT-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@H](C)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313347216 385077548 /nfs/dbraw/zinc/07/75/48/385077548.db2.gz KBKBQKPNLVPRLT-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP CN(C[C@@H](O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC000309438632 385079503 /nfs/dbraw/zinc/07/95/03/385079503.db2.gz NOECAHGGAVOSGL-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC000309438632 385079511 /nfs/dbraw/zinc/07/95/11/385079511.db2.gz NOECAHGGAVOSGL-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC000309438632 385079514 /nfs/dbraw/zinc/07/95/14/385079514.db2.gz NOECAHGGAVOSGL-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000309438632 385079519 /nfs/dbraw/zinc/07/95/19/385079519.db2.gz NOECAHGGAVOSGL-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000309438632 385079526 /nfs/dbraw/zinc/07/95/26/385079526.db2.gz NOECAHGGAVOSGL-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000157120498 385082237 /nfs/dbraw/zinc/08/22/37/385082237.db2.gz JBSDDOPVLWJQGE-YUTCNCBUSA-N 2 1 248.374 1.462 20 0 BDADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000518753914 385106151 /nfs/dbraw/zinc/10/61/51/385106151.db2.gz WUYHYCBTCWGOLK-OLZOCXBDSA-N 2 1 227.396 1.306 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000518753914 385106156 /nfs/dbraw/zinc/10/61/56/385106156.db2.gz WUYHYCBTCWGOLK-OLZOCXBDSA-N 3 1 227.396 1.306 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000518753914 385106162 /nfs/dbraw/zinc/10/61/62/385106162.db2.gz WUYHYCBTCWGOLK-OLZOCXBDSA-N 3 1 227.396 1.306 20 0 BDADMP CCN(CC)C[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422710489 385193671 /nfs/dbraw/zinc/19/36/71/385193671.db2.gz FXRATIZSCSLZHE-UTUOFQBUSA-N 2 1 215.385 1.432 20 0 BDADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313014943 385148879 /nfs/dbraw/zinc/14/88/79/385148879.db2.gz WZUUOYDAZPPBIS-AGIUHOORSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000157344062 385154706 /nfs/dbraw/zinc/15/47/06/385154706.db2.gz MKIOIJSBWTZFQU-RKDXNWHRSA-N 2 1 238.335 1.494 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000157344062 385154710 /nfs/dbraw/zinc/15/47/10/385154710.db2.gz MKIOIJSBWTZFQU-RKDXNWHRSA-N 2 1 238.335 1.494 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000161505388 385173722 /nfs/dbraw/zinc/17/37/22/385173722.db2.gz QQJHPEWJSKTBDW-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308813281 385180155 /nfs/dbraw/zinc/18/01/55/385180155.db2.gz AIOOFLIMYWNIEI-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP C(C1CCOCC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483098 385207948 /nfs/dbraw/zinc/20/79/48/385207948.db2.gz YYSJBLSVODVYLD-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH3+])c1 ZINC000165953763 385211299 /nfs/dbraw/zinc/21/12/99/385211299.db2.gz QHCXMEOCGUUYGZ-LLVKDONJSA-N 2 1 249.358 1.102 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccco2)CC1 ZINC000177375028 385231239 /nfs/dbraw/zinc/23/12/39/385231239.db2.gz OGSOXGOXWLDGJF-CYBMUJFWSA-N 2 1 238.331 1.171 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000157702194 385257980 /nfs/dbraw/zinc/25/79/80/385257980.db2.gz CQEMXRJKFHJNLA-FDYHWXHSSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000157702194 385257987 /nfs/dbraw/zinc/25/79/87/385257987.db2.gz CQEMXRJKFHJNLA-FDYHWXHSSA-N 2 1 226.364 1.626 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCO ZINC000191473332 385305515 /nfs/dbraw/zinc/30/55/15/385305515.db2.gz QBRNMKORAOKUJU-UHFFFAOYSA-N 2 1 239.363 1.540 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCO ZINC000191473332 385305520 /nfs/dbraw/zinc/30/55/20/385305520.db2.gz QBRNMKORAOKUJU-UHFFFAOYSA-N 2 1 239.363 1.540 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000299897461 385285996 /nfs/dbraw/zinc/28/59/96/385285996.db2.gz RALKXDSQCWHLHW-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000299897461 385286002 /nfs/dbraw/zinc/28/60/02/385286002.db2.gz RALKXDSQCWHLHW-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCSC1 ZINC000300234865 385301978 /nfs/dbraw/zinc/30/19/78/385301978.db2.gz XFOYTAQJZRRXSL-AGIUHOORSA-N 2 1 240.416 1.956 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCSC1 ZINC000300234865 385301980 /nfs/dbraw/zinc/30/19/80/385301980.db2.gz XFOYTAQJZRRXSL-AGIUHOORSA-N 2 1 240.416 1.956 20 0 BDADMP CC(C)OCC[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316860601 385335209 /nfs/dbraw/zinc/33/52/09/385335209.db2.gz NOCCBFBNUJZNTE-XQQFMLRXSA-N 2 1 228.380 1.859 20 0 BDADMP CC(C)OCC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316860601 385335210 /nfs/dbraw/zinc/33/52/10/385335210.db2.gz NOCCBFBNUJZNTE-XQQFMLRXSA-N 2 1 228.380 1.859 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000335359390 385349518 /nfs/dbraw/zinc/34/95/18/385349518.db2.gz PXTRGXKFKDGMAB-GFCCVEGCSA-N 2 1 224.348 1.405 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCC1 ZINC000165185819 385359893 /nfs/dbraw/zinc/35/98/93/385359893.db2.gz NHAPVHNYYNUBSK-GFCCVEGCSA-N 2 1 225.380 1.202 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228204416 385363546 /nfs/dbraw/zinc/36/35/46/385363546.db2.gz QOFSTNNYOOKLDP-KWQFWETISA-N 2 1 223.320 1.461 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647496550 385390144 /nfs/dbraw/zinc/39/01/44/385390144.db2.gz SXPLKBWGRFSJQX-ZYHUDNBSSA-N 2 1 234.347 1.053 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644736031 385370623 /nfs/dbraw/zinc/37/06/23/385370623.db2.gz HQXNIVBQIYDOBU-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2[C@@H](CCN2CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000644736031 385370630 /nfs/dbraw/zinc/37/06/30/385370630.db2.gz HQXNIVBQIYDOBU-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@H]2[C@@H](CCN2CC[C@@H]2CCC[N@H+]2C)C1 ZINC000644736031 385370636 /nfs/dbraw/zinc/37/06/36/385370636.db2.gz HQXNIVBQIYDOBU-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@H]1[NH3+] ZINC000647497723 385407802 /nfs/dbraw/zinc/40/78/02/385407802.db2.gz SNSADKUQHBWWJJ-AAVRWANBSA-N 3 1 239.407 1.434 20 0 BDADMP CC[C@@H]1CN(Cc2[nH]ncc2C)CC[C@@H]1[NH3+] ZINC000647497502 385410232 /nfs/dbraw/zinc/41/02/32/385410232.db2.gz JOXNAOWBYQXPLZ-MNOVXSKESA-N 2 1 222.336 1.277 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2c(C)n[nH]c2C)CC[C@@H]1[NH3+] ZINC000647498207 385414804 /nfs/dbraw/zinc/41/48/04/385414804.db2.gz CPAZUZDFDUGZEU-AAEUAGOBSA-N 2 1 236.363 1.586 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000309141591 385433438 /nfs/dbraw/zinc/43/34/38/385433438.db2.gz TYPJUCIIGDKYEH-UTUOFQBUSA-N 2 1 208.349 1.716 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC000182210945 385433467 /nfs/dbraw/zinc/43/34/67/385433467.db2.gz YVCLAIWCYXRMDC-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC000182210945 385433473 /nfs/dbraw/zinc/43/34/73/385433473.db2.gz YVCLAIWCYXRMDC-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC000182210945 385433477 /nfs/dbraw/zinc/43/34/77/385433477.db2.gz YVCLAIWCYXRMDC-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257649269 385482765 /nfs/dbraw/zinc/48/27/65/385482765.db2.gz CWIIPNQWEAUZGP-CQSZACIVSA-N 2 1 233.359 1.601 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257660806 385487010 /nfs/dbraw/zinc/48/70/10/385487010.db2.gz GFHLCVYRCZBDON-CYBMUJFWSA-N 2 1 219.332 1.211 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257705476 385490657 /nfs/dbraw/zinc/49/06/57/385490657.db2.gz RCVVBISYTBQCNZ-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309347116 385545552 /nfs/dbraw/zinc/54/55/52/385545552.db2.gz LYYQCLHKSAYIHV-FRRDWIJNSA-N 2 1 228.380 1.323 20 0 BDADMP Cc1[nH]c2nc[nH+]c(N[C@@H](C)CC[NH3+])c2c1C ZINC000647705675 385581127 /nfs/dbraw/zinc/58/11/27/385581127.db2.gz HEZHBSQNOBYPLR-ZETCQYMHSA-N 2 1 233.319 1.724 20 0 BDADMP C[N@H+](CCN)[C@@H]1CCCc2ccccc21 ZINC000054417000 385582497 /nfs/dbraw/zinc/58/24/97/385582497.db2.gz UJERWGDURRMEBG-CYBMUJFWSA-N 2 1 204.317 1.955 20 0 BDADMP C[N@@H+](CCN)[C@@H]1CCCc2ccccc21 ZINC000054417000 385582499 /nfs/dbraw/zinc/58/24/99/385582499.db2.gz UJERWGDURRMEBG-CYBMUJFWSA-N 2 1 204.317 1.955 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645434 385625274 /nfs/dbraw/zinc/62/52/74/385625274.db2.gz IDMIUYIQHQEQPD-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000082645561 385626626 /nfs/dbraw/zinc/62/66/26/385626626.db2.gz HZUHCUBNNLRXTF-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H](C)C[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336677497 385608463 /nfs/dbraw/zinc/60/84/63/385608463.db2.gz CPGJTQOGEQTYTA-TZMCWYRMSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336677497 385608469 /nfs/dbraw/zinc/60/84/69/385608469.db2.gz CPGJTQOGEQTYTA-TZMCWYRMSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H](C)C[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336677497 385608473 /nfs/dbraw/zinc/60/84/73/385608473.db2.gz CPGJTQOGEQTYTA-TZMCWYRMSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H](C)C[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336677497 385608476 /nfs/dbraw/zinc/60/84/76/385608476.db2.gz CPGJTQOGEQTYTA-TZMCWYRMSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCCF)C1 ZINC000336681933 385637852 /nfs/dbraw/zinc/63/78/52/385637852.db2.gz HUPLCGRLVFLPMU-LLVKDONJSA-N 2 1 202.317 1.797 20 0 BDADMP C[C@H]1[C@@H](NC2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000309510028 385645482 /nfs/dbraw/zinc/64/54/82/385645482.db2.gz XBJNSABQBLBGPL-AAEUAGOBSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1[C@@H](NC2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000309510028 385645487 /nfs/dbraw/zinc/64/54/87/385645487.db2.gz XBJNSABQBLBGPL-AAEUAGOBSA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309536118 385677045 /nfs/dbraw/zinc/67/70/45/385677045.db2.gz FISJNXMSVXABBT-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309536118 385677049 /nfs/dbraw/zinc/67/70/49/385677049.db2.gz FISJNXMSVXABBT-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC000221701901 385689628 /nfs/dbraw/zinc/68/96/28/385689628.db2.gz WOICKGYDXCLTFQ-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCO1 ZINC000336687728 385705171 /nfs/dbraw/zinc/70/51/71/385705171.db2.gz GRXXTLVGJNRQSZ-OUCADQQQSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000122610138 385705869 /nfs/dbraw/zinc/70/58/69/385705869.db2.gz ODZXVPNLYJBYIS-QWRGUYRKSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1ccsc1C[N@H+](C)C1CC([NH3+])C1 ZINC000307590077 385709208 /nfs/dbraw/zinc/70/92/08/385709208.db2.gz BKQZJJDSGQZONA-UHFFFAOYSA-N 2 1 210.346 1.978 20 0 BDADMP C[N@@H+](CCCn1ccnc1)[C@H]1CCSC1 ZINC000183065638 385734982 /nfs/dbraw/zinc/73/49/82/385734982.db2.gz OTLWFEIYLLXAEB-NSHDSACASA-N 2 1 225.361 1.711 20 0 BDADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCO[C@H]12 ZINC000414859417 385740449 /nfs/dbraw/zinc/74/04/49/385740449.db2.gz AUYOGBHKKWYXRT-YVECIDJPSA-N 2 1 236.359 1.286 20 0 BDADMP CCn1nccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414859229 385741955 /nfs/dbraw/zinc/74/19/55/385741955.db2.gz TUQLEJFIVWOOQZ-RYUDHWBXSA-N 2 1 236.363 1.381 20 0 BDADMP C[C@H]([NH2+]Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000414860479 385748501 /nfs/dbraw/zinc/74/85/01/385748501.db2.gz VQEYZCBQQKBWJW-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000336737171 385761172 /nfs/dbraw/zinc/76/11/72/385761172.db2.gz JFCUVJCDLZKWNK-RVMXOQNASA-N 2 1 226.364 1.077 20 0 BDADMP CCn1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000414857080 385721488 /nfs/dbraw/zinc/72/14/88/385721488.db2.gz OUTYVRCUHYKLKL-YPMHNXCESA-N 2 1 236.363 1.381 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(C)(F)F ZINC000394867174 385806172 /nfs/dbraw/zinc/80/61/72/385806172.db2.gz DCSRVYIDGBWYKE-UWVGGRQHSA-N 2 1 220.307 1.962 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CCC[NH2+]C1 ZINC000226435753 385811665 /nfs/dbraw/zinc/81/16/65/385811665.db2.gz USKBVAYIXAPIIT-ZDUSSCGKSA-N 2 1 234.343 1.824 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C[C@H]1CCC[NH2+]C1 ZINC000226435753 385811671 /nfs/dbraw/zinc/81/16/71/385811671.db2.gz USKBVAYIXAPIIT-ZDUSSCGKSA-N 2 1 234.343 1.824 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951276 385822134 /nfs/dbraw/zinc/82/21/34/385822134.db2.gz PMXBMYWCOZKXDG-FVCCEPFGSA-N 3 1 225.380 1.247 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000226436327 385822434 /nfs/dbraw/zinc/82/24/34/385822434.db2.gz NPYMQABCVAGCPJ-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(c3cc(CO)ccn3)C2)C1 ZINC000310995878 385829566 /nfs/dbraw/zinc/82/95/66/385829566.db2.gz UFQNVKOGPISWPY-CQSZACIVSA-N 2 1 247.342 1.106 20 0 BDADMP CC(C)n1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414958467 385858157 /nfs/dbraw/zinc/85/81/57/385858157.db2.gz OWSKCXLJJZXLMP-DGCLKSJQSA-N 2 1 236.363 1.552 20 0 BDADMP CCCn1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414957601 385852969 /nfs/dbraw/zinc/85/29/69/385852969.db2.gz WCPNADOYBQKYMK-AAEUAGOBSA-N 2 1 236.363 1.523 20 0 BDADMP Cc1noc([C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000647832471 385883804 /nfs/dbraw/zinc/88/38/04/385883804.db2.gz KQTXERKGICJQIO-BDAKNGLRSA-N 2 1 238.335 1.498 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000414963468 385898388 /nfs/dbraw/zinc/89/83/88/385898388.db2.gz XNEXHEDZXKEIPV-DGAVXFQQSA-N 2 1 240.391 1.920 20 0 BDADMP CC1(C)CNCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647852843 385905538 /nfs/dbraw/zinc/90/55/38/385905538.db2.gz GLSZVIVRIXLQFA-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP CC1(C)CNCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647852843 385905542 /nfs/dbraw/zinc/90/55/42/385905542.db2.gz GLSZVIVRIXLQFA-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336741739 385908095 /nfs/dbraw/zinc/90/80/95/385908095.db2.gz NLSXHWSYAZHCBI-RWMBFGLXSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@]1(CN2CC[N@H+]3CCCC[C@H]3C2)CC[NH2+]C1 ZINC000250815483 385927199 /nfs/dbraw/zinc/92/71/99/385927199.db2.gz WVLSQKIHKONWAE-UONOGXRCSA-N 2 1 237.391 1.156 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CC[NH2+]1 ZINC000414960680 385880571 /nfs/dbraw/zinc/88/05/71/385880571.db2.gz YHPKBOUPCUYHMF-PWSUYJOCSA-N 2 1 248.326 1.645 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cnn1C ZINC000335017909 385976313 /nfs/dbraw/zinc/97/63/13/385976313.db2.gz BBWKFJHJMMDCQY-QWHCGFSZSA-N 2 1 236.363 1.478 20 0 BDADMP COc1ccncc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311023291 385988578 /nfs/dbraw/zinc/98/85/78/385988578.db2.gz OSGZTLVYCKKHST-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP COc1ccncc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311023291 385988584 /nfs/dbraw/zinc/98/85/84/385988584.db2.gz OSGZTLVYCKKHST-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP CN(C)c1ccccc1C[NH2+]CC1([NH3+])CCC1 ZINC000342120542 385931308 /nfs/dbraw/zinc/93/13/08/385931308.db2.gz FWFJHIMRLPWFSF-UHFFFAOYSA-N 2 1 233.359 1.724 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012179 385968245 /nfs/dbraw/zinc/96/82/45/385968245.db2.gz WYJPZTDUSNHNNM-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000335012179 385968251 /nfs/dbraw/zinc/96/82/51/385968251.db2.gz WYJPZTDUSNHNNM-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)c(F)cc1F ZINC000414882432 386012641 /nfs/dbraw/zinc/01/26/41/386012641.db2.gz MBIXSHWMOIMRJM-ZETCQYMHSA-N 2 1 232.249 1.931 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976526 386024701 /nfs/dbraw/zinc/02/47/01/386024701.db2.gz OGKJPFCFXLNDRQ-QWHCGFSZSA-N 2 1 227.396 1.304 20 0 BDADMP COC1(C[NH2+]C[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000310010039 386041376 /nfs/dbraw/zinc/04/13/76/386041376.db2.gz IGMWYTPFKUQPLO-LBPRGKRZSA-N 2 1 226.364 1.677 20 0 BDADMP CSCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334455853 386109422 /nfs/dbraw/zinc/10/94/22/386109422.db2.gz GPAULNKVYCHIJN-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CSCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334455853 386109426 /nfs/dbraw/zinc/10/94/26/386109426.db2.gz GPAULNKVYCHIJN-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CSCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334455853 386109432 /nfs/dbraw/zinc/10/94/32/386109432.db2.gz GPAULNKVYCHIJN-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C[NH3+])c1ccccc1 ZINC000274460343 386109859 /nfs/dbraw/zinc/10/98/59/386109859.db2.gz VBVBOJGAEATARM-DGCLKSJQSA-N 2 1 249.358 1.143 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](CCO)C2CCCC2)CC[NH2+]1 ZINC000414667170 386120849 /nfs/dbraw/zinc/12/08/49/386120849.db2.gz HAUDWLLSKQLXGV-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000311996431 386070704 /nfs/dbraw/zinc/07/07/04/386070704.db2.gz GDIWNUBBAFIJBL-GXSJLCMTSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000311996431 386070712 /nfs/dbraw/zinc/07/07/12/386070712.db2.gz GDIWNUBBAFIJBL-GXSJLCMTSA-N 2 1 237.347 1.715 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C[NH3+])CC1 ZINC000414651103 386070983 /nfs/dbraw/zinc/07/09/83/386070983.db2.gz DZTHQEMMLXQHET-LBPRGKRZSA-N 3 1 213.369 1.031 20 0 BDADMP CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414982534 386076250 /nfs/dbraw/zinc/07/62/50/386076250.db2.gz YXQXSPDNOIGOMT-CHWSQXEVSA-N 2 1 227.396 1.162 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)O1 ZINC000414283783 386094635 /nfs/dbraw/zinc/09/46/35/386094635.db2.gz PPTLWAXPVGQFNC-MEBFFEOJSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414662389 386099243 /nfs/dbraw/zinc/09/92/43/386099243.db2.gz QAZJXZJSRPKKFN-HZSPNIEDSA-N 3 1 241.423 1.680 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1F ZINC000414895850 386189991 /nfs/dbraw/zinc/18/99/91/386189991.db2.gz NNJMSTYNLXQOIU-CYBMUJFWSA-N 2 1 222.307 1.961 20 0 BDADMP [NH3+][C@H](C[NH2+]Cc1cccc2c1NCC2)C1CC1 ZINC000414893050 386156380 /nfs/dbraw/zinc/15/63/80/386156380.db2.gz QWNTZIACVSGVEP-CYBMUJFWSA-N 2 1 231.343 1.482 20 0 BDADMP CC(C)[N@@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677740 386157987 /nfs/dbraw/zinc/15/79/87/386157987.db2.gz JMKGCMONHNYVCE-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP C1CC1[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414895283 386182065 /nfs/dbraw/zinc/18/20/65/386182065.db2.gz WQAAFYTZMFJGJH-RWMBFGLXSA-N 2 1 208.349 1.907 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000414697638 386201142 /nfs/dbraw/zinc/20/11/42/386201142.db2.gz CJTKEZWTOYSOME-IHRRRGAJSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000414697638 386201146 /nfs/dbraw/zinc/20/11/46/386201146.db2.gz CJTKEZWTOYSOME-IHRRRGAJSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000414700307 386204481 /nfs/dbraw/zinc/20/44/81/386204481.db2.gz JMGKEJKKPCCIIB-KGLIPLIRSA-N 2 1 241.423 1.633 20 0 BDADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC000310565308 386204790 /nfs/dbraw/zinc/20/47/90/386204790.db2.gz LLCJQDNWUQQEEH-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+]1CCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC000310565308 386204793 /nfs/dbraw/zinc/20/47/93/386204793.db2.gz LLCJQDNWUQQEEH-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCC[C@@H]2O)CC[NH2+]1 ZINC000414700523 386207067 /nfs/dbraw/zinc/20/70/67/386207067.db2.gz GAZSBLPMBGISMW-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC000414702661 386210883 /nfs/dbraw/zinc/21/08/83/386210883.db2.gz JASBLHQZABFZLO-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H](C[NH2+]Cc1cccc(O)c1)C[NH+](C)C ZINC000291768179 386211573 /nfs/dbraw/zinc/21/15/73/386211573.db2.gz SMXRLSIZZJUZRU-NSHDSACASA-N 2 1 222.332 1.680 20 0 BDADMP COc1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647882151 386221092 /nfs/dbraw/zinc/22/10/92/386221092.db2.gz PUXTVMIPWRXOBX-GFCCVEGCSA-N 2 1 246.354 1.663 20 0 BDADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647882151 386221095 /nfs/dbraw/zinc/22/10/95/386221095.db2.gz PUXTVMIPWRXOBX-GFCCVEGCSA-N 2 1 246.354 1.663 20 0 BDADMP CCC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414712355 386230725 /nfs/dbraw/zinc/23/07/25/386230725.db2.gz UAPCHJANKZFCBX-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347147846 386260491 /nfs/dbraw/zinc/26/04/91/386260491.db2.gz YSCJKSTVAPSGMT-GFCCVEGCSA-N 2 1 233.359 1.533 20 0 BDADMP COCc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320305 386239254 /nfs/dbraw/zinc/23/92/54/386239254.db2.gz JJNIREMRYUCALP-GASCZTMLSA-N 2 1 246.354 1.484 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000347080209 386239725 /nfs/dbraw/zinc/23/97/25/386239725.db2.gz XDODNEFMXVFKIZ-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000347080209 386239728 /nfs/dbraw/zinc/23/97/28/386239728.db2.gz XDODNEFMXVFKIZ-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP CCS[C@H]1CCCC[N@@H+](CCC[NH3+])C1 ZINC000414698439 386199845 /nfs/dbraw/zinc/19/98/45/386199845.db2.gz QVNUJRRUYNXGBO-NSHDSACASA-N 2 1 216.394 1.943 20 0 BDADMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc(OC)c1 ZINC000415004897 386292133 /nfs/dbraw/zinc/29/21/33/386292133.db2.gz IOLGVNIYHHPVEK-UWVGGRQHSA-N 2 1 238.331 1.529 20 0 BDADMP C[N@@H+](C[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194381 386296359 /nfs/dbraw/zinc/29/63/59/386296359.db2.gz SYIBYBOFLPGDDE-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339194381 386296364 /nfs/dbraw/zinc/29/63/64/386296364.db2.gz SYIBYBOFLPGDDE-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+](C[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339194381 386296369 /nfs/dbraw/zinc/29/63/69/386296369.db2.gz SYIBYBOFLPGDDE-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000414734440 386298805 /nfs/dbraw/zinc/29/88/05/386298805.db2.gz DWGLUNKDVXNYLK-RDBSUJKOSA-N 2 1 240.391 1.718 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000414734438 386299164 /nfs/dbraw/zinc/29/91/64/386299164.db2.gz DWGLUNKDVXNYLK-MJBXVCDLSA-N 2 1 240.391 1.718 20 0 BDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647886670 386299376 /nfs/dbraw/zinc/29/93/76/386299376.db2.gz HDTOPBWGMPDFNO-JHJVBQTASA-N 2 1 240.391 1.731 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415005743 386302952 /nfs/dbraw/zinc/30/29/52/386302952.db2.gz JOQIDYVYUHRXMK-NXEZZACHSA-N 2 1 236.315 1.299 20 0 BDADMP C[C@@H](O)CCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336672505 386303101 /nfs/dbraw/zinc/30/31/01/386303101.db2.gz SXHKFIRSXPGUPP-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H](O)CCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336672505 386303104 /nfs/dbraw/zinc/30/31/04/386303104.db2.gz SXHKFIRSXPGUPP-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H](O)CCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336672505 386303108 /nfs/dbraw/zinc/30/31/08/386303108.db2.gz SXHKFIRSXPGUPP-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1occc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000335266203 386303197 /nfs/dbraw/zinc/30/31/97/386303197.db2.gz VFORJIOJNFPBIE-BETUJISGSA-N 2 1 220.316 1.581 20 0 BDADMP Cc1occc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000335266203 386303202 /nfs/dbraw/zinc/30/32/02/386303202.db2.gz VFORJIOJNFPBIE-BETUJISGSA-N 2 1 220.316 1.581 20 0 BDADMP Cc1occc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000335266203 386303209 /nfs/dbraw/zinc/30/32/09/386303209.db2.gz VFORJIOJNFPBIE-BETUJISGSA-N 2 1 220.316 1.581 20 0 BDADMP Cc1occc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000335266203 386303213 /nfs/dbraw/zinc/30/32/13/386303213.db2.gz VFORJIOJNFPBIE-BETUJISGSA-N 2 1 220.316 1.581 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414737000 386305343 /nfs/dbraw/zinc/30/53/43/386305343.db2.gz ICWVVJNBWRWYQD-RDBSUJKOSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414737077 386305485 /nfs/dbraw/zinc/30/54/85/386305485.db2.gz IIQJHBXSUWXUAP-MELADBBJSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000414738372 386316076 /nfs/dbraw/zinc/31/60/76/386316076.db2.gz JEPSASZRNGYPIY-RKQHYHRCSA-N 2 1 238.375 1.077 20 0 BDADMP CC(C)(C)C[N@@H+](CCCO)C[C@@H]1CC[NH2+]C1 ZINC000647884465 386264270 /nfs/dbraw/zinc/26/42/70/386264270.db2.gz SXDMRRJAYBQHJL-GFCCVEGCSA-N 2 1 228.380 1.326 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000335262210 386323792 /nfs/dbraw/zinc/32/37/92/386323792.db2.gz RGLIHYZSIDUHLU-YPMHNXCESA-N 2 1 219.332 1.620 20 0 BDADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CCOCC[NH3+] ZINC000647885702 386278157 /nfs/dbraw/zinc/27/81/57/386278157.db2.gz HCFXSQNIZADIEQ-OAHLLOKOSA-N 2 1 248.370 1.971 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CC[NH2+]CC1 ZINC000647987716 386278491 /nfs/dbraw/zinc/27/84/91/386278491.db2.gz TWMDYDOBQVEDNY-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)C1CC[NH2+]CC1 ZINC000647987716 386278500 /nfs/dbraw/zinc/27/85/00/386278500.db2.gz TWMDYDOBQVEDNY-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000336661700 386278715 /nfs/dbraw/zinc/27/87/15/386278715.db2.gz OFVSSLORDRKCJE-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000336661700 386278720 /nfs/dbraw/zinc/27/87/20/386278720.db2.gz OFVSSLORDRKCJE-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP COc1c(O)cccc1C[NH2+][C@H](C)CC[NH3+] ZINC000414903510 386341250 /nfs/dbraw/zinc/34/12/50/386341250.db2.gz ZYPJWZFMEZMBPD-SECBINFHSA-N 2 1 224.304 1.228 20 0 BDADMP COCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335278658 386346179 /nfs/dbraw/zinc/34/61/79/386346179.db2.gz LUTRFVZAXMJLSC-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336691857 386363754 /nfs/dbraw/zinc/36/37/54/386363754.db2.gz CLHBKWRFYWRORB-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336691857 386363756 /nfs/dbraw/zinc/36/37/56/386363756.db2.gz CLHBKWRFYWRORB-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336691857 386363761 /nfs/dbraw/zinc/36/37/61/386363761.db2.gz CLHBKWRFYWRORB-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414750005 386369606 /nfs/dbraw/zinc/36/96/06/386369606.db2.gz ZEBYDMYOBOWKOP-YVECIDJPSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000336690388 386372323 /nfs/dbraw/zinc/37/23/23/386372323.db2.gz GVEWLKOMCVWWNN-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647890706 386380704 /nfs/dbraw/zinc/38/07/04/386380704.db2.gz HVSCLYQPKLDMRQ-OUCADQQQSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)[C@@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336684007 386329455 /nfs/dbraw/zinc/32/94/55/386329455.db2.gz CPCPPGLJZLPUEB-AWEZNQCLSA-N 2 1 242.407 1.808 20 0 BDADMP COc1ccsc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414903091 386336403 /nfs/dbraw/zinc/33/64/03/386336403.db2.gz JCHFOACHTPWXOB-SNVBAGLBSA-N 2 1 240.372 1.988 20 0 BDADMP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000094074769 386444385 /nfs/dbraw/zinc/44/43/85/386444385.db2.gz ZBADIKPHHUPWDI-LBPRGKRZSA-N 2 1 229.327 1.662 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768288 386444590 /nfs/dbraw/zinc/44/45/90/386444590.db2.gz LONNEWXVPRNEOF-BETUJISGSA-N 3 1 239.407 1.306 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768288 386444594 /nfs/dbraw/zinc/44/45/94/386444594.db2.gz LONNEWXVPRNEOF-BETUJISGSA-N 3 1 239.407 1.306 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336719034 386446525 /nfs/dbraw/zinc/44/65/25/386446525.db2.gz RMLZVAQEVXRVLG-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000336719042 386448529 /nfs/dbraw/zinc/44/85/29/386448529.db2.gz RWGOOEUFLKGKFV-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](CN)C1 ZINC000414769729 386448618 /nfs/dbraw/zinc/44/86/18/386448618.db2.gz NPSDXMMPJOFEPH-AAVRWANBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000414769729 386448629 /nfs/dbraw/zinc/44/86/29/386448629.db2.gz NPSDXMMPJOFEPH-AAVRWANBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](CN)C1 ZINC000414769735 386449085 /nfs/dbraw/zinc/44/90/85/386449085.db2.gz NPSDXMMPJOFEPH-XJFOESAGSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000414769735 386449092 /nfs/dbraw/zinc/44/90/92/386449092.db2.gz NPSDXMMPJOFEPH-XJFOESAGSA-N 2 1 239.407 1.434 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336704254 386392604 /nfs/dbraw/zinc/39/26/04/386392604.db2.gz PTAFEPPPCQQHOD-YNEHKIRRSA-N 2 1 226.364 1.364 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336700995 386402101 /nfs/dbraw/zinc/40/21/01/386402101.db2.gz LUDDRDUIVWCKKK-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]1COc2ccccc2C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647991230 386409352 /nfs/dbraw/zinc/40/93/52/386409352.db2.gz MUXRATZDKUYYME-STQMWFEESA-N 2 1 246.354 1.879 20 0 BDADMP C[C@H]1COc2ccccc2C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647991230 386409353 /nfs/dbraw/zinc/40/93/53/386409353.db2.gz MUXRATZDKUYYME-STQMWFEESA-N 2 1 246.354 1.879 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647991143 386409715 /nfs/dbraw/zinc/40/97/15/386409715.db2.gz CFVMPPRQQIUDNI-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H](O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336708507 386414875 /nfs/dbraw/zinc/41/48/75/386414875.db2.gz IJIDWPRRDJAYOK-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336708509 386419064 /nfs/dbraw/zinc/41/90/64/386419064.db2.gz IJIDWPRRDJAYOK-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1cc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000647991319 386421764 /nfs/dbraw/zinc/42/17/64/386421764.db2.gz ZIHIAWJRIIUGAA-GFCCVEGCSA-N 2 1 248.374 1.507 20 0 BDADMP Cc1c(C[N@H+]2CCC[C@H](CC[NH3+])C2)cnn1C ZINC000093651377 386432821 /nfs/dbraw/zinc/43/28/21/386432821.db2.gz BCMBTFSHZOQWQZ-GFCCVEGCSA-N 2 1 236.363 1.289 20 0 BDADMP Cc1c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1C ZINC000093651342 386434638 /nfs/dbraw/zinc/43/46/38/386434638.db2.gz XRSYKTPCWUMOJR-PBWFPOADSA-N 2 1 248.374 1.443 20 0 BDADMP Cc1c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1C ZINC000093651342 386434642 /nfs/dbraw/zinc/43/46/42/386434642.db2.gz XRSYKTPCWUMOJR-PBWFPOADSA-N 2 1 248.374 1.443 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647934664 386483320 /nfs/dbraw/zinc/48/33/20/386483320.db2.gz LZONIMLFNQQUPU-MJBXVCDLSA-N 3 1 239.407 1.435 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290958814 386492792 /nfs/dbraw/zinc/49/27/92/386492792.db2.gz VYXKCTIKIWWKIB-UHFFFAOYSA-N 2 1 245.330 1.142 20 0 BDADMP C(C[N@H+]1CCCOCC1)C1CC[NH2+]CC1 ZINC000061919026 386494471 /nfs/dbraw/zinc/49/44/71/386494471.db2.gz MAKYZOCSXXTSMY-UHFFFAOYSA-N 2 1 212.337 1.098 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC3)CC[N@H+]1C ZINC000417331897 386501541 /nfs/dbraw/zinc/50/15/41/386501541.db2.gz CHHHSLPDZZWIQS-WOPDTQHZSA-N 2 1 208.349 1.859 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)CO ZINC000339634800 386501622 /nfs/dbraw/zinc/50/16/22/386501622.db2.gz GSSSLGQOLUIGIW-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)CO ZINC000339634800 386501626 /nfs/dbraw/zinc/50/16/26/386501626.db2.gz GSSSLGQOLUIGIW-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)CO ZINC000339634800 386501633 /nfs/dbraw/zinc/50/16/33/386501633.db2.gz GSSSLGQOLUIGIW-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC3)CC[N@H+]1C ZINC000417331888 386501677 /nfs/dbraw/zinc/50/16/77/386501677.db2.gz CHHHSLPDZZWIQS-GRYCIOLGSA-N 2 1 208.349 1.859 20 0 BDADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H](C)CO ZINC000339634119 386503635 /nfs/dbraw/zinc/50/36/35/386503635.db2.gz LSHYBUDKHZNDRS-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP [NH3+]CCC[C@@H]([NH2+][C@H]1CCCNC1)c1ccccc1 ZINC000415050610 386505645 /nfs/dbraw/zinc/50/56/45/386505645.db2.gz IVITYBSQMSHLIO-LSDHHAIUSA-N 2 1 247.386 1.808 20 0 BDADMP Cn1ccnc1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062252285 386507034 /nfs/dbraw/zinc/50/70/34/386507034.db2.gz BEJRWPNJIVIBPL-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1ccnc1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062252285 386507041 /nfs/dbraw/zinc/50/70/41/386507041.db2.gz BEJRWPNJIVIBPL-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@@H]1CCOC1 ZINC000415051535 386509516 /nfs/dbraw/zinc/50/95/16/386509516.db2.gz GCHFYYSZLXNJQQ-MNOVXSKESA-N 2 1 214.353 1.376 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000340371806 386515444 /nfs/dbraw/zinc/51/54/44/386515444.db2.gz QDYOJEIWTKMTRF-OLZOCXBDSA-N 2 1 236.363 1.346 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@@H](CN)C1CC1 ZINC000647973463 386524657 /nfs/dbraw/zinc/52/46/57/386524657.db2.gz GCYRORANTIBVST-AWEZNQCLSA-N 2 1 239.407 1.435 20 0 BDADMP CN(CCCC1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000647973463 386524662 /nfs/dbraw/zinc/52/46/62/386524662.db2.gz GCYRORANTIBVST-AWEZNQCLSA-N 2 1 239.407 1.435 20 0 BDADMP CO[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336721612 386457321 /nfs/dbraw/zinc/45/73/21/386457321.db2.gz ZNXDBOVDQNPEIV-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CO[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336721612 386457325 /nfs/dbraw/zinc/45/73/25/386457325.db2.gz ZNXDBOVDQNPEIV-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)CCN1C ZINC000336724056 386458008 /nfs/dbraw/zinc/45/80/08/386458008.db2.gz ZCFBERSSHCRDSF-JHJVBQTASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C(C)(C)C)CC[N@@H+]1C ZINC000336724056 386458018 /nfs/dbraw/zinc/45/80/18/386458018.db2.gz ZCFBERSSHCRDSF-JHJVBQTASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C(C)(C)C)CC[N@H+]1C ZINC000336724056 386458021 /nfs/dbraw/zinc/45/80/21/386458021.db2.gz ZCFBERSSHCRDSF-JHJVBQTASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C(C)(C)C)CC[NH+]1C ZINC000336724056 386458031 /nfs/dbraw/zinc/45/80/31/386458031.db2.gz ZCFBERSSHCRDSF-JHJVBQTASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)CC[NH+]1C ZINC000336724056 386458034 /nfs/dbraw/zinc/45/80/34/386458034.db2.gz ZCFBERSSHCRDSF-JHJVBQTASA-N 2 1 242.407 1.808 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336726932 386463766 /nfs/dbraw/zinc/46/37/66/386463766.db2.gz VPWGECCVCDIYSQ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP COC(C)(C)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336726932 386463769 /nfs/dbraw/zinc/46/37/69/386463769.db2.gz VPWGECCVCDIYSQ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1ccsc1CN[C@@H](C[NH3+])C1CC1 ZINC000414798033 386579986 /nfs/dbraw/zinc/57/99/86/386579986.db2.gz IXVAINFBUWKULD-JTQLQIEISA-N 2 1 210.346 1.883 20 0 BDADMP Cc1ccsc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414798033 386579996 /nfs/dbraw/zinc/57/99/96/386579996.db2.gz IXVAINFBUWKULD-JTQLQIEISA-N 2 1 210.346 1.883 20 0 BDADMP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc(C)[nH+]1 ZINC000310896422 386594874 /nfs/dbraw/zinc/59/48/74/386594874.db2.gz VPLACFPCDOOEKP-BETUJISGSA-N 2 1 246.358 1.529 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1ccncc1)C1CCCC1 ZINC000415044777 386531130 /nfs/dbraw/zinc/53/11/30/386531130.db2.gz BXVSKENQERQTAH-CYBMUJFWSA-N 2 1 219.332 1.689 20 0 BDADMP CN(CC[NH+](C)C)c1cc[nH+]cc1Cl ZINC000267370534 386535067 /nfs/dbraw/zinc/53/50/67/386535067.db2.gz JTUWPFQELPWRHD-UHFFFAOYSA-N 2 1 213.712 1.733 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047084 386535329 /nfs/dbraw/zinc/53/53/29/386535329.db2.gz AFEOQYYJQLYNQL-ZOBORPQBSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047084 386535334 /nfs/dbraw/zinc/53/53/34/386535334.db2.gz AFEOQYYJQLYNQL-ZOBORPQBSA-N 3 1 239.407 1.434 20 0 BDADMP COc1cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414790864 386535811 /nfs/dbraw/zinc/53/58/11/386535811.db2.gz HCFZRLCIJUPHFJ-CYBMUJFWSA-N 2 1 222.332 1.768 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCSC1 ZINC000415057769 386536728 /nfs/dbraw/zinc/53/67/28/386536728.db2.gz UBCAMMOSGVRQRE-AEJSXWLSSA-N 2 1 200.351 1.161 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCSC1 ZINC000415054210 386537930 /nfs/dbraw/zinc/53/79/30/386537930.db2.gz LKLXAUXBSBYYKU-VHSXEESVSA-N 2 1 216.394 1.703 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063726 386543783 /nfs/dbraw/zinc/54/37/83/386543783.db2.gz IYSXFGNXTPWGEO-RYUDHWBXSA-N 2 1 214.353 1.519 20 0 BDADMP c1ccc(O[C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647995243 386547232 /nfs/dbraw/zinc/54/72/32/386547232.db2.gz IWMMCSJADQHLDN-ZFWWWQNUSA-N 2 1 246.354 1.749 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCOC1)C1CCCC1 ZINC000415067822 386548481 /nfs/dbraw/zinc/54/84/81/386548481.db2.gz PXMQTESJLDMTEV-DGCLKSJQSA-N 2 1 226.364 1.520 20 0 BDADMP CCCc1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415067717 386548823 /nfs/dbraw/zinc/54/88/23/386548823.db2.gz LDMCJGIGVFRTBP-AWEZNQCLSA-N 2 1 236.359 1.391 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000415065961 386549442 /nfs/dbraw/zinc/54/94/42/386549442.db2.gz IBRQMOHUHYVVSI-AAEUAGOBSA-N 3 1 225.380 1.249 20 0 BDADMP C[C@H](Cc1ccccc1)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415068008 386550465 /nfs/dbraw/zinc/55/04/65/386550465.db2.gz LXWYNIGBTQBTJK-TZMCWYRMSA-N 2 1 236.359 1.117 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNCC[NH2+]C(C)(C)C ZINC000415075420 386568300 /nfs/dbraw/zinc/56/83/00/386568300.db2.gz FGPZWQIGKXGACU-CYBMUJFWSA-N 2 1 241.423 1.839 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997650 386619093 /nfs/dbraw/zinc/61/90/93/386619093.db2.gz WSRLXSJVTACOQJ-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000415124929 386626549 /nfs/dbraw/zinc/62/65/49/386626549.db2.gz KOIQJWZCCLPISE-JQWIXIFHSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000415124929 386626554 /nfs/dbraw/zinc/62/65/54/386626554.db2.gz KOIQJWZCCLPISE-JQWIXIFHSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000415126027 386627699 /nfs/dbraw/zinc/62/76/99/386627699.db2.gz LWDNJXXLLUKTKI-DGAVXFQQSA-N 3 1 239.407 1.291 20 0 BDADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414811814 386627895 /nfs/dbraw/zinc/62/78/95/386627895.db2.gz WQNXLQUZWGXDAD-ZDUSSCGKSA-N 2 1 220.316 1.522 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCOCC1 ZINC000414812383 386640972 /nfs/dbraw/zinc/64/09/72/386640972.db2.gz KVYSCXZGVGITAB-VXGBXAGGSA-N 2 1 214.353 1.663 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000415146384 386641925 /nfs/dbraw/zinc/64/19/25/386641925.db2.gz YOUIUCGUOCUPDK-FVCCEPFGSA-N 3 1 225.380 1.105 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414814558 386642976 /nfs/dbraw/zinc/64/29/76/386642976.db2.gz ZHSFUNPHFQPAJY-FZMZJTMJSA-N 2 1 248.370 1.953 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414814567 386647221 /nfs/dbraw/zinc/64/72/21/386647221.db2.gz OBQWLINHRMOBQT-JHJVBQTASA-N 3 1 227.396 1.482 20 0 BDADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1C ZINC000414802137 386602094 /nfs/dbraw/zinc/60/20/94/386602094.db2.gz HWSBKDPCOOZUMP-CYBMUJFWSA-N 2 1 234.343 1.831 20 0 BDADMP Cc1ccncc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000278918247 386606916 /nfs/dbraw/zinc/60/69/16/386606916.db2.gz UQBKALXFPCSAFY-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1ccncc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000278918247 386606921 /nfs/dbraw/zinc/60/69/21/386606921.db2.gz UQBKALXFPCSAFY-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000278918247 386606923 /nfs/dbraw/zinc/60/69/23/386606923.db2.gz UQBKALXFPCSAFY-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000278918247 386606927 /nfs/dbraw/zinc/60/69/27/386606927.db2.gz UQBKALXFPCSAFY-OKILXGFUSA-N 2 1 231.343 1.383 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccnn1C ZINC000336645770 386617275 /nfs/dbraw/zinc/61/72/75/386617275.db2.gz AVSVFTDPPMAFPQ-WDEREUQCSA-N 2 1 224.352 1.268 20 0 BDADMP Cc1c[nH+]ccc1N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000366513261 386667625 /nfs/dbraw/zinc/66/76/25/386667625.db2.gz ZLUPLRNSXZDDQY-CYBMUJFWSA-N 2 1 249.358 1.283 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccccc1OC ZINC000414824360 386683353 /nfs/dbraw/zinc/68/33/53/386683353.db2.gz KHGOZJCUEOEWDZ-LLVKDONJSA-N 2 1 222.332 1.435 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000417382459 386690122 /nfs/dbraw/zinc/69/01/22/386690122.db2.gz OAXFWBBCONEAQH-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N(C)C)CC2)[C@H](C)C1 ZINC000417382459 386690128 /nfs/dbraw/zinc/69/01/28/386690128.db2.gz OAXFWBBCONEAQH-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N(C)C)CC2)[C@H](C)C1 ZINC000417382459 386690134 /nfs/dbraw/zinc/69/01/34/386690134.db2.gz OAXFWBBCONEAQH-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH3+])C2)c1C ZINC000050243860 386691602 /nfs/dbraw/zinc/69/16/02/386691602.db2.gz UKNANFUMBSCLCA-NSHDSACASA-N 2 1 235.331 1.240 20 0 BDADMP Cc1c([C@H](C)N[C@@H]2C[N@@H+](C)C[C@H]2C)cnn1C ZINC000352846364 386712201 /nfs/dbraw/zinc/71/22/01/386712201.db2.gz OGWRSDJFZKCQOT-GBIKHYSHSA-N 2 1 236.363 1.329 20 0 BDADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCC1 ZINC000325061429 386714605 /nfs/dbraw/zinc/71/46/05/386714605.db2.gz XIBFXUPVFWPLPG-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)C(F)(F)F ZINC000336760721 386720450 /nfs/dbraw/zinc/72/04/50/386720450.db2.gz MMSKUSBHLYZYCD-MRVPVSSYSA-N 2 1 224.270 1.869 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414834369 386725345 /nfs/dbraw/zinc/72/53/45/386725345.db2.gz TYGZPOWSJKKUIO-FPMFFAJLSA-N 2 1 218.344 1.988 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H]2CCCO)CC[NH2+]C1 ZINC000340700387 386745589 /nfs/dbraw/zinc/74/55/89/386745589.db2.gz HOSGXFXVJZAZPG-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP c1cncc(CC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335539590 386747161 /nfs/dbraw/zinc/74/71/61/386747161.db2.gz PGFOVMPXRJMJSF-UHFFFAOYSA-N 2 1 231.343 1.452 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414843670 386766694 /nfs/dbraw/zinc/76/66/94/386766694.db2.gz KCZZMUDGEZTKCJ-RYUDHWBXSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH+]1CCC2(CC1)C[N@H+](CC1(F)CC1)CCO2 ZINC000648072096 386785888 /nfs/dbraw/zinc/78/58/88/386785888.db2.gz LAGQQGXFKHLPHM-UHFFFAOYSA-N 2 1 242.338 1.285 20 0 BDADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1(F)CC1)CCO2 ZINC000648072096 386785893 /nfs/dbraw/zinc/78/58/93/386785893.db2.gz LAGQQGXFKHLPHM-UHFFFAOYSA-N 2 1 242.338 1.285 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000396601320 386787896 /nfs/dbraw/zinc/78/78/96/386787896.db2.gz XKGPKQXVEHNOSD-FQUUOJAGSA-N 2 1 237.391 1.343 20 0 BDADMP COc1ccccc1/C=C/C[NH2+][C@@H](C)C[NH3+] ZINC000414934428 386801447 /nfs/dbraw/zinc/80/14/47/386801447.db2.gz BMSVPICVQWYTSL-ZRQQLDRUSA-N 2 1 220.316 1.645 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)n1 ZINC000334783719 386841684 /nfs/dbraw/zinc/84/16/84/386841684.db2.gz AEOMBPUXOOANQE-AAEUAGOBSA-N 2 1 233.359 1.868 20 0 BDADMP CC(C)n1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414942957 386893430 /nfs/dbraw/zinc/89/34/30/386893430.db2.gz DVJCQYDSDFLVRT-YPMHNXCESA-N 2 1 236.363 1.694 20 0 BDADMP Cc1cnc(C[NH2+]CC2=CC[N@H+](C)CC2)n1C ZINC000341295557 386865933 /nfs/dbraw/zinc/86/59/33/386865933.db2.gz YCFPVLQJBNIYNS-UHFFFAOYSA-N 2 1 234.347 1.080 20 0 BDADMP Cc1cnc(C[NH2+]CC2=CC[N@@H+](C)CC2)n1C ZINC000341295557 386865938 /nfs/dbraw/zinc/86/59/38/386865938.db2.gz YCFPVLQJBNIYNS-UHFFFAOYSA-N 2 1 234.347 1.080 20 0 BDADMP Cn1cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000051919536 386871897 /nfs/dbraw/zinc/87/18/97/386871897.db2.gz UJOQRUCIUPUNCD-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919583 386872717 /nfs/dbraw/zinc/87/27/17/386872717.db2.gz LFKHSYNDUJJOKI-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1ccccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000334834339 386874009 /nfs/dbraw/zinc/87/40/09/386874009.db2.gz ZGUIHPHTJTXNQX-ITGUQSILSA-N 2 1 202.301 1.302 20 0 BDADMP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414939886 386874110 /nfs/dbraw/zinc/87/41/10/386874110.db2.gz BIIIRUBDYQDTIF-QWRGUYRKSA-N 2 1 235.331 1.326 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000331668049 386881268 /nfs/dbraw/zinc/88/12/68/386881268.db2.gz RHQDHYQKSSQBTN-VOAKCMCISA-N 2 1 225.380 1.363 20 0 BDADMP N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1F ZINC000334860861 386913794 /nfs/dbraw/zinc/91/37/94/386913794.db2.gz XYYILPCKBIFFMI-GXTWGEPZSA-N 2 1 234.318 1.962 20 0 BDADMP C[N@H+]1CCN(CCC[NH3+])C2(CCCCC2)C1 ZINC000334860835 386914047 /nfs/dbraw/zinc/91/40/47/386914047.db2.gz XGVJGGGSFVLMEW-UHFFFAOYSA-N 2 1 225.380 1.286 20 0 BDADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358224643 386915443 /nfs/dbraw/zinc/91/54/43/386915443.db2.gz CBBAGDFBBJXDTR-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358224643 386915446 /nfs/dbraw/zinc/91/54/46/386915446.db2.gz CBBAGDFBBJXDTR-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ccc(CNC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358133714 386897581 /nfs/dbraw/zinc/89/75/81/386897581.db2.gz ISPVIAGRDAUDQE-CQSZACIVSA-N 2 1 234.343 1.151 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358133714 386897584 /nfs/dbraw/zinc/89/75/84/386897584.db2.gz ISPVIAGRDAUDQE-CQSZACIVSA-N 2 1 234.343 1.151 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358133714 386897586 /nfs/dbraw/zinc/89/75/86/386897586.db2.gz ISPVIAGRDAUDQE-CQSZACIVSA-N 2 1 234.343 1.151 20 0 BDADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358260303 386921449 /nfs/dbraw/zinc/92/14/49/386921449.db2.gz XQLXBYOAZKNRCK-HIFRSBDPSA-N 2 1 248.370 1.712 20 0 BDADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358260303 386921455 /nfs/dbraw/zinc/92/14/55/386921455.db2.gz XQLXBYOAZKNRCK-HIFRSBDPSA-N 2 1 248.370 1.712 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000161708613 386928306 /nfs/dbraw/zinc/92/83/06/386928306.db2.gz JVPXDOPBNYMPKD-WCQYABFASA-N 2 1 219.332 1.293 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417886014 386936127 /nfs/dbraw/zinc/93/61/27/386936127.db2.gz VKNLISGVEGAXJN-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCCC[C@H]1N ZINC000331985780 386936310 /nfs/dbraw/zinc/93/63/10/386936310.db2.gz NAZUEPXCLLUQCB-UTUOFQBUSA-N 2 1 213.369 1.363 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000331985774 386937241 /nfs/dbraw/zinc/93/72/41/386937241.db2.gz NAZUEPXCLLUQCB-GRYCIOLGSA-N 2 1 213.369 1.363 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc1 ZINC000162186405 386944512 /nfs/dbraw/zinc/94/45/12/386944512.db2.gz BBFMODDXZNQUIC-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000425353843 386963559 /nfs/dbraw/zinc/96/35/59/386963559.db2.gz NJYSVHUZTDGBFC-NWDGAFQWSA-N 2 1 226.389 1.732 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000341886241 386985435 /nfs/dbraw/zinc/98/54/35/386985435.db2.gz XRXZDGBWARSHHC-YIYPIFLZSA-N 2 1 240.391 1.731 20 0 BDADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000358913280 387032198 /nfs/dbraw/zinc/03/21/98/387032198.db2.gz HDNCFTKKAGWVTP-LBPRGKRZSA-N 2 1 236.363 1.339 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccon1 ZINC000359215850 387067526 /nfs/dbraw/zinc/06/75/26/387067526.db2.gz KHXHXVVVFMYFLW-UHFFFAOYSA-N 2 1 223.320 1.496 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccon1 ZINC000359215850 387067531 /nfs/dbraw/zinc/06/75/31/387067531.db2.gz KHXHXVVVFMYFLW-UHFFFAOYSA-N 2 1 223.320 1.496 20 0 BDADMP COc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000107787835 387037107 /nfs/dbraw/zinc/03/71/07/387037107.db2.gz VMGGSKSANYGSJD-GFCCVEGCSA-N 2 1 234.343 1.784 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000070074074 387044290 /nfs/dbraw/zinc/04/42/90/387044290.db2.gz JQYPQVFRPGNRAI-ZDUSSCGKSA-N 2 1 219.332 1.785 20 0 BDADMP CCn1cncc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000334964752 387044935 /nfs/dbraw/zinc/04/49/35/387044935.db2.gz CPPZVFZHQRNOCD-JSGCOSHPSA-N 2 1 249.358 1.904 20 0 BDADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000417413407 387047719 /nfs/dbraw/zinc/04/77/19/387047719.db2.gz XWCFIZHVCSNZSW-LPWJVIDDSA-N 2 1 224.348 1.116 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534992 387050662 /nfs/dbraw/zinc/05/06/62/387050662.db2.gz KXQJBTXWDOJBHO-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000334970285 387055484 /nfs/dbraw/zinc/05/54/84/387055484.db2.gz UGYMIWJZXYHQQT-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000398885344 387011147 /nfs/dbraw/zinc/01/11/47/387011147.db2.gz KJAGTAXMBZDCIW-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000126353551 387016372 /nfs/dbraw/zinc/01/63/72/387016372.db2.gz NEKKISLGMGJKGR-RYUDHWBXSA-N 2 1 249.358 1.581 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000334978884 387066152 /nfs/dbraw/zinc/06/61/52/387066152.db2.gz CTWLPCFIZHRRMG-CHWSQXEVSA-N 2 1 249.358 1.805 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCCCN1 ZINC000333883490 387068984 /nfs/dbraw/zinc/06/89/84/387068984.db2.gz WRMJQEVCFCZWLT-RVMXOQNASA-N 2 1 225.380 1.234 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]12 ZINC000333882713 387070998 /nfs/dbraw/zinc/07/09/98/387070998.db2.gz DYALCNSXNXYFPM-JMJZKYOTSA-N 2 1 243.314 1.131 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cccc(N)c2)[C@@H](C[NH3+])C1 ZINC000334997188 387089002 /nfs/dbraw/zinc/08/90/02/387089002.db2.gz AXOUTROQFXAFPY-SMDDNHRTSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(N)c2)[C@@H](C[NH3+])C1 ZINC000334997188 387089011 /nfs/dbraw/zinc/08/90/11/387089011.db2.gz AXOUTROQFXAFPY-SMDDNHRTSA-N 2 1 233.359 1.828 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000336765520 387095265 /nfs/dbraw/zinc/09/52/65/387095265.db2.gz ODGMESIPVAXMPQ-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000336765520 387095270 /nfs/dbraw/zinc/09/52/70/387095270.db2.gz ODGMESIPVAXMPQ-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)n1 ZINC000335010421 387103910 /nfs/dbraw/zinc/10/39/10/387103910.db2.gz QEHMGBGNTZHNPH-AWEZNQCLSA-N 2 1 233.359 1.869 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC12CCC2)C1CC1 ZINC000352370013 387112784 /nfs/dbraw/zinc/11/27/84/387112784.db2.gz VNKUZTZQTOSRIY-CYBMUJFWSA-N 2 1 238.375 1.460 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC12CCC2)C1CC1 ZINC000352370013 387112786 /nfs/dbraw/zinc/11/27/86/387112786.db2.gz VNKUZTZQTOSRIY-CYBMUJFWSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC12CCC2)C1CC1 ZINC000352370013 387112792 /nfs/dbraw/zinc/11/27/92/387112792.db2.gz VNKUZTZQTOSRIY-CYBMUJFWSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC12CCC2)C1CC1 ZINC000352370013 387112796 /nfs/dbraw/zinc/11/27/96/387112796.db2.gz VNKUZTZQTOSRIY-CYBMUJFWSA-N 2 1 238.375 1.460 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250350786 387114133 /nfs/dbraw/zinc/11/41/33/387114133.db2.gz JHKDCWHDJLVDOL-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000250350786 387114136 /nfs/dbraw/zinc/11/41/36/387114136.db2.gz JHKDCWHDJLVDOL-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccco1 ZINC000335024437 387115900 /nfs/dbraw/zinc/11/59/00/387115900.db2.gz NIXDTSJVHNSWCW-JQWIXIFHSA-N 2 1 208.305 1.757 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359201304 387067970 /nfs/dbraw/zinc/06/79/70/387067970.db2.gz ZTDKIGHBVQLKQS-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423308050 387142854 /nfs/dbraw/zinc/14/28/54/387142854.db2.gz XESKAVZPDHICPE-MRVPVSSYSA-N 2 1 226.270 1.835 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423308935 387143479 /nfs/dbraw/zinc/14/34/79/387143479.db2.gz KFHLORFQEULZTD-VXGBXAGGSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@@H](O)C[C@@H](C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353146787 387145461 /nfs/dbraw/zinc/14/54/61/387145461.db2.gz KOMDNTYPKXLQBF-GHMZBOCLSA-N 2 1 237.347 1.397 20 0 BDADMP CCC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423309901 387147041 /nfs/dbraw/zinc/14/70/41/387147041.db2.gz MLFLUWWGCFCKIY-RWMBFGLXSA-N 2 1 227.396 1.304 20 0 BDADMP CCC[NH2+]CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423312173 387148125 /nfs/dbraw/zinc/14/81/25/387148125.db2.gz RKDYXFSBQPJKTA-NEPJUHHUSA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)C1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000353179876 387151600 /nfs/dbraw/zinc/15/16/00/387151600.db2.gz FYQYGYCGFPJNDI-JXQTWKCFSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000423318770 387160118 /nfs/dbraw/zinc/16/01/18/387160118.db2.gz DQTWZBDNWAGSJJ-GHMZBOCLSA-N 2 1 245.330 1.265 20 0 BDADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[NH3+])CC1 ZINC000423322061 387164171 /nfs/dbraw/zinc/16/41/71/387164171.db2.gz ILEBOXVLMUDYAD-XSRFYTQQSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423328225 387169628 /nfs/dbraw/zinc/16/96/28/387169628.db2.gz LWIRIVHSQZSCNR-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423328225 387169633 /nfs/dbraw/zinc/16/96/33/387169633.db2.gz LWIRIVHSQZSCNR-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423328225 387169636 /nfs/dbraw/zinc/16/96/36/387169636.db2.gz LWIRIVHSQZSCNR-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423327770 387170700 /nfs/dbraw/zinc/17/07/00/387170700.db2.gz NSTRIYKBGKSPJE-VWYCJHECSA-N 2 1 202.317 1.842 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423305032 387140140 /nfs/dbraw/zinc/14/01/40/387140140.db2.gz ZZNQAERXMFOKPV-FRRDWIJNSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423353117 387205117 /nfs/dbraw/zinc/20/51/17/387205117.db2.gz CIPPMMLKEVAPBU-YVECIDJPSA-N 2 1 225.380 1.057 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C(C)C ZINC000571940478 387206670 /nfs/dbraw/zinc/20/66/70/387206670.db2.gz WVQGUTAIROIDDX-NWDGAFQWSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C(C)C ZINC000571940478 387206674 /nfs/dbraw/zinc/20/66/74/387206674.db2.gz WVQGUTAIROIDDX-NWDGAFQWSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1C(C)C ZINC000571940478 387206677 /nfs/dbraw/zinc/20/66/77/387206677.db2.gz WVQGUTAIROIDDX-NWDGAFQWSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1C(C)C ZINC000571940478 387206680 /nfs/dbraw/zinc/20/66/80/387206680.db2.gz WVQGUTAIROIDDX-NWDGAFQWSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+]1C[C@H](NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423356312 387206947 /nfs/dbraw/zinc/20/69/47/387206947.db2.gz GMTFSATUTVKATG-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300413153 387207183 /nfs/dbraw/zinc/20/71/83/387207183.db2.gz YVUYXBOQAJEYMW-SYQHCUMBSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000423356708 387208876 /nfs/dbraw/zinc/20/88/76/387208876.db2.gz HFPOMIPCJQPLBP-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000219247954 322809791 /nfs/dbraw/zinc/80/97/91/322809791.db2.gz DJEDPEDKUMODNU-WXHSDQCUSA-N 2 1 204.317 1.727 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423363320 387216203 /nfs/dbraw/zinc/21/62/03/387216203.db2.gz BUMXJIPAKBLGHC-NDBYEHHHSA-N 3 1 225.380 1.092 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353500032 387216431 /nfs/dbraw/zinc/21/64/31/387216431.db2.gz VRJUGGLHNSNIRM-RQJABVFESA-N 2 1 240.391 1.731 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000230706829 387219063 /nfs/dbraw/zinc/21/90/63/387219063.db2.gz JJFPLVYKCOTALF-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353517552 387221599 /nfs/dbraw/zinc/22/15/99/387221599.db2.gz JAKCPNNBROVPFG-REWJHTLYSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423326126 387228753 /nfs/dbraw/zinc/22/87/53/387228753.db2.gz MEYLSLJUEXQJBB-WRWGMCAJSA-N 2 1 224.348 1.271 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423401345 387238933 /nfs/dbraw/zinc/23/89/33/387238933.db2.gz VZBKKRHULVVCCL-BYNQJWBRSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423401345 387238936 /nfs/dbraw/zinc/23/89/36/387238936.db2.gz VZBKKRHULVVCCL-BYNQJWBRSA-N 2 1 237.391 1.329 20 0 BDADMP Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423420981 387250068 /nfs/dbraw/zinc/25/00/68/387250068.db2.gz BYKKAOLUCKZPLY-SCUASFONSA-N 2 1 216.328 1.863 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000353440524 387200910 /nfs/dbraw/zinc/20/09/10/387200910.db2.gz KTYIPZNJUDBOOZ-IHRRRGAJSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H](C[NH2+]C1CCC(O)CC1)[NH+]1CCCC1 ZINC000353444958 387201162 /nfs/dbraw/zinc/20/11/62/387201162.db2.gz HLZUYZNPILCMAU-MOKVOYLWSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423461822 387311037 /nfs/dbraw/zinc/31/10/37/387311037.db2.gz TWTHMFNFURVEFS-DDTOSNHZSA-N 2 1 233.359 1.848 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423387016 387271502 /nfs/dbraw/zinc/27/15/02/387271502.db2.gz SGYXFJFDUMGSRB-FVCCEPFGSA-N 2 1 227.396 1.303 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423391413 387276420 /nfs/dbraw/zinc/27/64/20/387276420.db2.gz PKAKSMGPHJUNMP-QWHCGFSZSA-N 3 1 241.423 1.872 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(F)c1 ZINC000423432544 387283669 /nfs/dbraw/zinc/28/36/69/387283669.db2.gz MKYCPWNPTMHOBW-KMLBCRHOSA-N 2 1 220.291 1.694 20 0 BDADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423440687 387290399 /nfs/dbraw/zinc/29/03/99/387290399.db2.gz AWHNRBONPGEXSO-ONGXEEELSA-N 2 1 236.315 1.803 20 0 BDADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423440143 387290500 /nfs/dbraw/zinc/29/05/00/387290500.db2.gz APKHPHNLOPUKDY-KIJLLGNVSA-N 2 1 225.380 1.185 20 0 BDADMP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444785 387294521 /nfs/dbraw/zinc/29/45/21/387294521.db2.gz XFTPMBWJUMHRDL-RQJABVFESA-N 2 1 214.312 1.481 20 0 BDADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000353924381 387299979 /nfs/dbraw/zinc/29/99/79/387299979.db2.gz BWUAVFRLTQPOED-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)on1 ZINC000353947743 387301549 /nfs/dbraw/zinc/30/15/49/387301549.db2.gz OUHOQMQFHUHATO-STQMWFEESA-N 2 1 249.358 1.742 20 0 BDADMP CC[C@H]1C[C@H](C[NH2+]CCC[NH+]2CCC2)CCO1 ZINC000514872486 387305479 /nfs/dbraw/zinc/30/54/79/387305479.db2.gz HYSYTHRVALQXLI-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000160579643 387308656 /nfs/dbraw/zinc/30/86/56/387308656.db2.gz UNGGKDNKPBTEKU-ONGXEEELSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@H]([NH2+]CCOCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400441904 387309035 /nfs/dbraw/zinc/30/90/35/387309035.db2.gz MTHNUYAFXOUMRO-DZGCQCFKSA-N 2 1 248.370 1.933 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423527389 387356551 /nfs/dbraw/zinc/35/65/51/387356551.db2.gz MGOLYCMTPQGMOS-BXUZGUMPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000336541440 387364644 /nfs/dbraw/zinc/36/46/44/387364644.db2.gz HCMLPOLJESQZFG-WCQYABFASA-N 2 1 245.370 1.824 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000643464504 387365404 /nfs/dbraw/zinc/36/54/04/387365404.db2.gz GHRRJBPKPKIBMG-RISCZKNCSA-N 2 1 233.359 1.520 20 0 BDADMP C[C@H](NC1CCC([NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000423540192 387365876 /nfs/dbraw/zinc/36/58/76/387365876.db2.gz DANGXGYTRMELAL-GFJIZPEISA-N 2 1 239.407 1.589 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502635 387366605 /nfs/dbraw/zinc/36/66/05/387366605.db2.gz LXXKBSCUQZQCOH-DGCLKSJQSA-N 2 1 222.332 1.942 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1(C)C ZINC000423544430 387368155 /nfs/dbraw/zinc/36/81/55/387368155.db2.gz DANCANUIFGNDDE-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453449 387371748 /nfs/dbraw/zinc/37/17/48/387371748.db2.gz BWDAFMJUWSVIKS-UXIGCNINSA-N 2 1 230.355 1.914 20 0 BDADMP C1C[C@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)CC[N@H+]2C1 ZINC000423550962 387373585 /nfs/dbraw/zinc/37/35/85/387373585.db2.gz IVTYCPHPDVWZJK-RDBSUJKOSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423549740 387373921 /nfs/dbraw/zinc/37/39/21/387373921.db2.gz IEBLLKAUOPJJLP-AAEUAGOBSA-N 3 1 225.380 1.106 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121516303 387376523 /nfs/dbraw/zinc/37/65/23/387376523.db2.gz MWCRWBASGYBQEY-AAEUAGOBSA-N 2 1 239.363 1.842 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCOC1 ZINC000336554755 387378892 /nfs/dbraw/zinc/37/88/92/387378892.db2.gz BJDRSPMXRBPURG-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000336554755 387378896 /nfs/dbraw/zinc/37/88/96/387378896.db2.gz BJDRSPMXRBPURG-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C(C)C ZINC000423571374 387379846 /nfs/dbraw/zinc/37/98/46/387379846.db2.gz XKFBRTNCUYXMIR-NEPJUHHUSA-N 2 1 214.353 1.389 20 0 BDADMP COC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C(C)C ZINC000423571376 387381351 /nfs/dbraw/zinc/38/13/51/387381351.db2.gz XKFBRTNCUYXMIR-NWDGAFQWSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000423483735 387329705 /nfs/dbraw/zinc/32/97/05/387329705.db2.gz ZBRUESCJTNAFEQ-SRVKXCTJSA-N 3 1 248.374 1.662 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cn[nH]c1 ZINC000423498563 387340168 /nfs/dbraw/zinc/34/01/68/387340168.db2.gz IEYSPHDDVLELGL-CABZTGNLSA-N 2 1 222.336 1.578 20 0 BDADMP COCCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423501990 387343457 /nfs/dbraw/zinc/34/34/57/387343457.db2.gz LQMPOCLUSWWVMD-YPMHNXCESA-N 2 1 228.380 1.909 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CCCO1 ZINC000423510977 387348107 /nfs/dbraw/zinc/34/81/07/387348107.db2.gz SYQCDWDVNJHDTE-CYZMBNFOSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000423511997 387348886 /nfs/dbraw/zinc/34/88/86/387348886.db2.gz KSOXHRXJFXGLQO-RQJABVFESA-N 2 1 239.407 1.304 20 0 BDADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423517940 387351234 /nfs/dbraw/zinc/35/12/34/387351234.db2.gz OMXLGCUULINVNN-BFHYXJOUSA-N 2 1 241.423 1.694 20 0 BDADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423520220 387352540 /nfs/dbraw/zinc/35/25/40/387352540.db2.gz PXJFIFUROMQAEG-MJBXVCDLSA-N 2 1 241.423 1.694 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000423521714 387353603 /nfs/dbraw/zinc/35/36/03/387353603.db2.gz GPNMMEBGMAWZHM-SNVBAGLBSA-N 2 1 236.363 1.521 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423520108 387353609 /nfs/dbraw/zinc/35/36/09/387353609.db2.gz DQCTZCJCGXSENO-YRGRVCCFSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423520108 387353612 /nfs/dbraw/zinc/35/36/12/387353612.db2.gz DQCTZCJCGXSENO-YRGRVCCFSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423520108 387353623 /nfs/dbraw/zinc/35/36/23/387353623.db2.gz DQCTZCJCGXSENO-YRGRVCCFSA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643504555 387428598 /nfs/dbraw/zinc/42/85/98/387428598.db2.gz HSCDHVUCRMLLPO-CQSZACIVSA-N 2 1 218.344 1.743 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000515845841 387433074 /nfs/dbraw/zinc/43/30/74/387433074.db2.gz UYFKJFHWRHSKTC-SECBINFHSA-N 2 1 240.376 1.033 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423770401 387420159 /nfs/dbraw/zinc/42/01/59/387420159.db2.gz HKDIGEMHYABWTE-SDDRHHMPSA-N 2 1 243.395 1.206 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000643475318 387509713 /nfs/dbraw/zinc/50/97/13/387509713.db2.gz FWZTYKXXSMZOLL-YVECIDJPSA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)C[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000396979268 387525629 /nfs/dbraw/zinc/52/56/29/387525629.db2.gz SBWDSHKBEJWIAI-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361803405 387538068 /nfs/dbraw/zinc/53/80/68/387538068.db2.gz FVQAGDXNLBQTFU-IGQOVBAYSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361803405 387538074 /nfs/dbraw/zinc/53/80/74/387538074.db2.gz FVQAGDXNLBQTFU-IGQOVBAYSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1c[nH+]ccc1N ZINC000643471061 387478184 /nfs/dbraw/zinc/47/81/84/387478184.db2.gz VWIXAIOVULFGSF-UTUOFQBUSA-N 2 1 249.358 1.696 20 0 BDADMP C[C@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000643507830 387478927 /nfs/dbraw/zinc/47/89/27/387478927.db2.gz RAICIDYMSRRUNS-WDEREUQCSA-N 2 1 212.337 1.143 20 0 BDADMP C(C[NH2+][C@H]1CC[C@@H]1C1CCC1)[NH2+]C1CC1 ZINC000643508016 387482389 /nfs/dbraw/zinc/48/23/89/387482389.db2.gz ZUERLTDYGWSPBI-OLZOCXBDSA-N 2 1 208.349 1.907 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508361 387488237 /nfs/dbraw/zinc/48/82/37/387488237.db2.gz ULTZLBQLXLBIFX-SNVBAGLBSA-N 2 1 224.352 1.757 20 0 BDADMP c1cn(CC[N@H+]2CCCO[C@@H]3CCC[C@@H]32)cn1 ZINC000362181338 387581815 /nfs/dbraw/zinc/58/18/15/387581815.db2.gz RPQIYCDJIBHTKJ-QWHCGFSZSA-N 2 1 235.331 1.527 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400737837 387595372 /nfs/dbraw/zinc/59/53/72/387595372.db2.gz SBCMXWLZTMSTBV-XQHKEYJVSA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305364950 387601684 /nfs/dbraw/zinc/60/16/84/387601684.db2.gz VIAFMHJURWQIBJ-HZSPNIEDSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422690342 387612471 /nfs/dbraw/zinc/61/24/71/387612471.db2.gz GDOGFQGZYDRVGU-BFHYXJOUSA-N 3 1 239.407 1.306 20 0 BDADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422690342 387612474 /nfs/dbraw/zinc/61/24/74/387612474.db2.gz GDOGFQGZYDRVGU-BFHYXJOUSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422690342 387612476 /nfs/dbraw/zinc/61/24/76/387612476.db2.gz GDOGFQGZYDRVGU-BFHYXJOUSA-N 2 1 239.407 1.306 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000422702759 387617503 /nfs/dbraw/zinc/61/75/03/387617503.db2.gz LMTGLPPQSXWPNA-AGIUHOORSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000422706226 387619970 /nfs/dbraw/zinc/61/99/70/387619970.db2.gz TWZTWHWEIOOMEY-XBFCOCLRSA-N 2 1 240.391 1.515 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422706736 387620504 /nfs/dbraw/zinc/62/05/04/387620504.db2.gz FSZIRVQLJYQMFA-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422706225 387620611 /nfs/dbraw/zinc/62/06/11/387620611.db2.gz TWZTWHWEIOOMEY-MRVWCRGKSA-N 2 1 240.391 1.515 20 0 BDADMP C[C@H](O)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000305661118 387624884 /nfs/dbraw/zinc/62/48/84/387624884.db2.gz XYTBPAGTCRULQY-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)O ZINC000305679720 387624921 /nfs/dbraw/zinc/62/49/21/387624921.db2.gz NCZZCWDSTCEEKL-OLZOCXBDSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC000305679720 387624925 /nfs/dbraw/zinc/62/49/25/387624925.db2.gz NCZZCWDSTCEEKL-OLZOCXBDSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC000305679720 387624928 /nfs/dbraw/zinc/62/49/28/387624928.db2.gz NCZZCWDSTCEEKL-OLZOCXBDSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)O ZINC000305682220 387626358 /nfs/dbraw/zinc/62/63/58/387626358.db2.gz OFJDANUJOBLEDH-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000305682220 387626359 /nfs/dbraw/zinc/62/63/59/387626359.db2.gz OFJDANUJOBLEDH-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000305682220 387626364 /nfs/dbraw/zinc/62/63/64/387626364.db2.gz OFJDANUJOBLEDH-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305115454 387555644 /nfs/dbraw/zinc/55/56/44/387555644.db2.gz HUTRNJTUUABQKL-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)C ZINC000305161015 387566828 /nfs/dbraw/zinc/56/68/28/387566828.db2.gz WZILPEZHUHZUOS-GFCCVEGCSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH+]1CCC([NH2+][C@H](CO)CCC(C)(C)C)CC1 ZINC000355740119 387575809 /nfs/dbraw/zinc/57/58/09/387575809.db2.gz XZUYZGPTSSDKSH-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356223396 387630226 /nfs/dbraw/zinc/63/02/26/387630226.db2.gz NZSPQGJEKAHINY-NSHDSACASA-N 2 1 243.395 1.221 20 0 BDADMP CCCCNC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000430641664 387636844 /nfs/dbraw/zinc/63/68/44/387636844.db2.gz MQASYCSOYGSFPA-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CCCCNC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000430641664 387636845 /nfs/dbraw/zinc/63/68/45/387636845.db2.gz MQASYCSOYGSFPA-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CCOCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422724651 387636843 /nfs/dbraw/zinc/63/68/43/387636843.db2.gz WJGLCWOEBPPIJP-NWDGAFQWSA-N 2 1 214.353 1.391 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422734114 387641230 /nfs/dbraw/zinc/64/12/30/387641230.db2.gz RVPNQQLFZLPQKH-SWLSCSKDSA-N 2 1 248.370 1.825 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000422736324 387643504 /nfs/dbraw/zinc/64/35/04/387643504.db2.gz VXGBTNLSKIMGIB-WOPDTQHZSA-N 2 1 212.337 1.001 20 0 BDADMP CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422739073 387646630 /nfs/dbraw/zinc/64/66/30/387646630.db2.gz ZVELCWIUDYPSGT-YPMHNXCESA-N 2 1 206.333 1.945 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527642061 387650289 /nfs/dbraw/zinc/65/02/89/387650289.db2.gz XEKSHERBFFIFDZ-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000430795689 387651374 /nfs/dbraw/zinc/65/13/74/387651374.db2.gz HKONPHPLPALHIG-UTUOFQBUSA-N 2 1 241.379 1.055 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422750592 387654953 /nfs/dbraw/zinc/65/49/53/387654953.db2.gz DIWHNVIBZCRFSC-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422750336 387655454 /nfs/dbraw/zinc/65/54/54/387655454.db2.gz CTWLYAKQRNDCEE-HZSPNIEDSA-N 3 1 239.407 1.720 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422750336 387655459 /nfs/dbraw/zinc/65/54/59/387655459.db2.gz CTWLYAKQRNDCEE-HZSPNIEDSA-N 3 1 239.407 1.720 20 0 BDADMP CSC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422751104 387656124 /nfs/dbraw/zinc/65/61/24/387656124.db2.gz FDUHJWVCJLUFKW-BBBLOLIVSA-N 2 1 202.367 1.468 20 0 BDADMP COc1ccccc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422756018 387657440 /nfs/dbraw/zinc/65/74/40/387657440.db2.gz IPNZJYQVTYKQOX-JSGCOSHPSA-N 2 1 248.370 1.825 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422753278 387658748 /nfs/dbraw/zinc/65/87/48/387658748.db2.gz FZQJTFRXWMFCNN-MGPQQGTHSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422753278 387658752 /nfs/dbraw/zinc/65/87/52/387658752.db2.gz FZQJTFRXWMFCNN-MGPQQGTHSA-N 3 1 241.423 1.824 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422764126 387665479 /nfs/dbraw/zinc/66/54/79/387665479.db2.gz UOBKQQRAOVDZPV-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1C ZINC000422768944 387668003 /nfs/dbraw/zinc/66/80/03/387668003.db2.gz VDTNENDRTAHMOC-CHWSQXEVSA-N 2 1 234.343 1.973 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400757582 387668890 /nfs/dbraw/zinc/66/88/90/387668890.db2.gz XLQNYODLPBOUSB-YNEHKIRRSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000422777017 387674357 /nfs/dbraw/zinc/67/43/57/387674357.db2.gz BQDBKECDYCIIHR-FZMZJTMJSA-N 2 1 236.334 1.956 20 0 BDADMP COC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000126335647 387679237 /nfs/dbraw/zinc/67/92/37/387679237.db2.gz XMGLFELDYGEDRT-AWEZNQCLSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743779 387688958 /nfs/dbraw/zinc/68/89/58/387688958.db2.gz RVJYPWFCLFLZBD-BZPMIXESSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H](CCN(C)C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422788462 387690883 /nfs/dbraw/zinc/69/08/83/387690883.db2.gz VLHISERQHSJCLD-HIFPTAJRSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861058 387744520 /nfs/dbraw/zinc/74/45/20/387744520.db2.gz IWPSFOKHDXQSHP-FMSGJZPZSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000422865697 387746503 /nfs/dbraw/zinc/74/65/03/387746503.db2.gz PIMPWJOENGWABA-NNYUYHANSA-N 2 1 225.380 1.327 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000422865697 387746507 /nfs/dbraw/zinc/74/65/07/387746507.db2.gz PIMPWJOENGWABA-NNYUYHANSA-N 2 1 225.380 1.327 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H](C)C[S@](C)=O)CC1 ZINC000157145029 387751555 /nfs/dbraw/zinc/75/15/55/387751555.db2.gz PGGKVJUEDVZXBH-BDJLRTHQSA-N 2 1 246.420 1.217 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000422873144 387752068 /nfs/dbraw/zinc/75/20/68/387752068.db2.gz KFPWOXUBBHAWJX-MBNYWOFBSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422873144 387752072 /nfs/dbraw/zinc/75/20/72/387752072.db2.gz KFPWOXUBBHAWJX-MBNYWOFBSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000422872447 387752894 /nfs/dbraw/zinc/75/28/94/387752894.db2.gz HEAXUTXAGSMDHA-UTUOFQBUSA-N 2 1 228.405 1.860 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422880129 387754370 /nfs/dbraw/zinc/75/43/70/387754370.db2.gz NIBGESIXTAVSLI-NEPJUHHUSA-N 2 1 213.369 1.186 20 0 BDADMP CC[C@H](C)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441370468 387754476 /nfs/dbraw/zinc/75/44/76/387754476.db2.gz HRSATYNLVLDLQE-ZDUSSCGKSA-N 2 1 241.423 1.648 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C12CCCC2 ZINC000422808626 387709170 /nfs/dbraw/zinc/70/91/70/387709170.db2.gz QLVYJTMSYWWPDI-RWMBFGLXSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]([NH2+]Cc1cccc(F)c1)C1C[NH2+]C1 ZINC000422813185 387710596 /nfs/dbraw/zinc/71/05/96/387710596.db2.gz XRCMXIGEWKNHIL-SECBINFHSA-N 2 1 208.280 1.523 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422811678 387711543 /nfs/dbraw/zinc/71/15/43/387711543.db2.gz VCQIMHKEIWPKIW-AGIUHOORSA-N 2 1 228.380 1.778 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422818302 387713538 /nfs/dbraw/zinc/71/35/38/387713538.db2.gz GBAFMISQXBYMMS-QWHCGFSZSA-N 2 1 227.396 1.306 20 0 BDADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000422821578 387717075 /nfs/dbraw/zinc/71/70/75/387717075.db2.gz XDHXDNYZFONJJY-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP C1C[C@H]2CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C[C@@H]1[NH2+]2 ZINC000422879739 387755411 /nfs/dbraw/zinc/75/54/11/387755411.db2.gz KYBZLSBMZUZCPZ-FIBILERRSA-N 2 1 249.402 1.486 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000422830236 387723652 /nfs/dbraw/zinc/72/36/52/387723652.db2.gz VNVBHAQXZCNZSY-XJFOESAGSA-N 2 1 240.391 1.515 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452071835 387724948 /nfs/dbraw/zinc/72/49/48/387724948.db2.gz SIQVKLFOPMJSFY-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000422838639 387729743 /nfs/dbraw/zinc/72/97/43/387729743.db2.gz XWFRVWWYAAYKOE-RYUDHWBXSA-N 2 1 234.347 1.117 20 0 BDADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128075173 387734577 /nfs/dbraw/zinc/73/45/77/387734577.db2.gz ZMGNWTREFRXLQG-UONOGXRCSA-N 2 1 248.374 1.179 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1(C)C ZINC000422855991 387737618 /nfs/dbraw/zinc/73/76/18/387737618.db2.gz WEFQQPLYMCWIEI-OASPWFOLSA-N 2 1 249.358 1.958 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000422878754 387755991 /nfs/dbraw/zinc/75/59/91/387755991.db2.gz KNTVJQTZFVUNIW-NSHDSACASA-N 2 1 248.374 1.629 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422859043 387741106 /nfs/dbraw/zinc/74/11/06/387741106.db2.gz JLZZOSQWQXNHBM-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422859043 387741113 /nfs/dbraw/zinc/74/11/13/387741113.db2.gz JLZZOSQWQXNHBM-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CCCC[C@H]1C ZINC000422856806 387742095 /nfs/dbraw/zinc/74/20/95/387742095.db2.gz GPHXAMFQOMEBPD-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCCC[C@H]1C ZINC000422856806 387742099 /nfs/dbraw/zinc/74/20/99/387742099.db2.gz GPHXAMFQOMEBPD-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422910280 387770162 /nfs/dbraw/zinc/77/01/62/387770162.db2.gz QDIWCILGBBICFQ-JHJVBQTASA-N 2 1 227.396 1.576 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422910280 387770167 /nfs/dbraw/zinc/77/01/67/387770167.db2.gz QDIWCILGBBICFQ-JHJVBQTASA-N 2 1 227.396 1.576 20 0 BDADMP FCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000378168223 387770416 /nfs/dbraw/zinc/77/04/16/387770416.db2.gz JWEBLTMYTTVWSF-JHJVBQTASA-N 2 1 226.339 1.762 20 0 BDADMP FCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000378168223 387770418 /nfs/dbraw/zinc/77/04/18/387770418.db2.gz JWEBLTMYTTVWSF-JHJVBQTASA-N 2 1 226.339 1.762 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422902036 387787070 /nfs/dbraw/zinc/78/70/70/387787070.db2.gz COAZESYODFHXKH-FRRDWIJNSA-N 2 1 225.380 1.330 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422902036 387787072 /nfs/dbraw/zinc/78/70/72/387787072.db2.gz COAZESYODFHXKH-FRRDWIJNSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[NH2+]1 ZINC000422901526 387787616 /nfs/dbraw/zinc/78/76/16/387787616.db2.gz LFZCXGQSDWFIDM-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527982544 387799467 /nfs/dbraw/zinc/79/94/67/387799467.db2.gz SVJDTKARMJNEAC-WCCYQHBJSA-N 2 1 238.375 1.484 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+]1CCCC1 ZINC000422962880 387813245 /nfs/dbraw/zinc/81/32/45/387813245.db2.gz GXVGATFUECMVFM-ZIAGYGMSSA-N 3 1 241.423 1.968 20 0 BDADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000422997887 387804752 /nfs/dbraw/zinc/80/47/52/387804752.db2.gz OYCDGVCRKYDTFS-UONOGXRCSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528002913 387807863 /nfs/dbraw/zinc/80/78/63/387807863.db2.gz MVWGJMDZFAIPHQ-XADZXUCXSA-N 2 1 240.391 1.871 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528002913 387807864 /nfs/dbraw/zinc/80/78/64/387807864.db2.gz MVWGJMDZFAIPHQ-XADZXUCXSA-N 2 1 240.391 1.871 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000528001129 387808519 /nfs/dbraw/zinc/80/85/19/387808519.db2.gz HPGSEVGWHLTROK-LSCVPOLPSA-N 2 1 226.364 1.482 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000422876970 387756710 /nfs/dbraw/zinc/75/67/10/387756710.db2.gz GZWOECFOXCBDKJ-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP CCN(CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000422876970 387756716 /nfs/dbraw/zinc/75/67/16/387756716.db2.gz GZWOECFOXCBDKJ-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880917 387758140 /nfs/dbraw/zinc/75/81/40/387758140.db2.gz XUEMCGTWQYRBRU-RFHZTLPTSA-N 2 1 237.391 1.199 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422882526 387758555 /nfs/dbraw/zinc/75/85/55/387758555.db2.gz SMNSRPVSWGNUNQ-CHWSQXEVSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880915 387758562 /nfs/dbraw/zinc/75/85/62/387758562.db2.gz XUEMCGTWQYRBRU-MHDGFBEUSA-N 2 1 237.391 1.199 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422974638 387824440 /nfs/dbraw/zinc/82/44/40/387824440.db2.gz RKGCYAJOOLPLPY-WDEREUQCSA-N 2 1 214.353 1.125 20 0 BDADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCOC3)CC[NH2+]2)cc1 ZINC000423003224 387826005 /nfs/dbraw/zinc/82/60/05/387826005.db2.gz LCIOSKFRADALRD-KKUMJFAQSA-N 2 1 246.354 1.858 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423007560 387828572 /nfs/dbraw/zinc/82/85/72/387828572.db2.gz QZSNHBWHQYFBBN-FDYHWXHSSA-N 2 1 226.364 1.125 20 0 BDADMP CCc1ccc([C@H](CO)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423006506 387830160 /nfs/dbraw/zinc/83/01/60/387830160.db2.gz VNXGXRATJVRCEO-NHYWBVRUSA-N 2 1 248.370 1.480 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCN(C)c1ccccc1 ZINC000442765891 387835380 /nfs/dbraw/zinc/83/53/80/387835380.db2.gz KATQLMUJOFGHAI-KBPBESRZSA-N 2 1 247.386 1.792 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000423026573 387842810 /nfs/dbraw/zinc/84/28/10/387842810.db2.gz BPJKKIBBIIBZFM-IJLUTSLNSA-N 2 1 228.405 1.860 20 0 BDADMP CC1=CC[N@H+](CCN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423039144 387853783 /nfs/dbraw/zinc/85/37/83/387853783.db2.gz PXZPMTDXTHEKLU-CHWSQXEVSA-N 2 1 223.364 1.108 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423039144 387853787 /nfs/dbraw/zinc/85/37/87/387853787.db2.gz PXZPMTDXTHEKLU-CHWSQXEVSA-N 2 1 223.364 1.108 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000235792529 387858958 /nfs/dbraw/zinc/85/89/58/387858958.db2.gz CBTMZVCGBROSMO-QWHCGFSZSA-N 2 1 235.331 1.349 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CCO)c1ccco1 ZINC000423055152 387862221 /nfs/dbraw/zinc/86/22/21/387862221.db2.gz VSJDNUVYKQNULO-GARJFASQSA-N 2 1 226.320 1.419 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000423055455 387862237 /nfs/dbraw/zinc/86/22/37/387862237.db2.gz WCZWQZFLVCRKQH-ZIAGYGMSSA-N 3 1 241.423 1.968 20 0 BDADMP CC(C)=CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423067253 387869388 /nfs/dbraw/zinc/86/93/88/387869388.db2.gz GRKYJDLBJXLQQP-BFHYXJOUSA-N 2 1 238.375 1.699 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)C1C[NH2+]C1 ZINC000423069741 387871460 /nfs/dbraw/zinc/87/14/60/387871460.db2.gz BSKUBOJFAWAYJV-FZMZJTMJSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]([NH2+]CCc1ccc(CO)cc1)[C@@H]1CCC[NH2+]1 ZINC000643478231 387814239 /nfs/dbraw/zinc/81/42/39/387814239.db2.gz KBTNMXASZQEGSD-DOMZBBRYSA-N 2 1 248.370 1.452 20 0 BDADMP COc1ccc(CCC[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000442662709 387816713 /nfs/dbraw/zinc/81/67/13/387816713.db2.gz QJMYSWXTPCWYBL-LBPRGKRZSA-N 2 1 236.359 1.907 20 0 BDADMP COc1ccc(CCC[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000442662709 387816715 /nfs/dbraw/zinc/81/67/15/387816715.db2.gz QJMYSWXTPCWYBL-LBPRGKRZSA-N 2 1 236.359 1.907 20 0 BDADMP COc1ccc(CCC[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000442662708 387817201 /nfs/dbraw/zinc/81/72/01/387817201.db2.gz QJMYSWXTPCWYBL-GFCCVEGCSA-N 2 1 236.359 1.907 20 0 BDADMP COc1ccc(CCC[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000442662708 387817205 /nfs/dbraw/zinc/81/72/05/387817205.db2.gz QJMYSWXTPCWYBL-GFCCVEGCSA-N 2 1 236.359 1.907 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422968404 387818119 /nfs/dbraw/zinc/81/81/19/387818119.db2.gz WTDUYZNFDNKONJ-KBPBESRZSA-N 2 1 241.423 1.694 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422968404 387818124 /nfs/dbraw/zinc/81/81/24/387818124.db2.gz WTDUYZNFDNKONJ-KBPBESRZSA-N 3 1 241.423 1.694 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422968404 387818126 /nfs/dbraw/zinc/81/81/26/387818126.db2.gz WTDUYZNFDNKONJ-KBPBESRZSA-N 3 1 241.423 1.694 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000442666665 387818531 /nfs/dbraw/zinc/81/85/31/387818531.db2.gz VWGNDIYRABCNMW-WOPDTQHZSA-N 2 1 213.369 1.138 20 0 BDADMP Cn1cccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542248 387890725 /nfs/dbraw/zinc/89/07/25/387890725.db2.gz VSQFVDJVJWVISD-TXEJJXNPSA-N 2 1 219.332 1.019 20 0 BDADMP Cn1cccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542248 387890728 /nfs/dbraw/zinc/89/07/28/387890728.db2.gz VSQFVDJVJWVISD-TXEJJXNPSA-N 2 1 219.332 1.019 20 0 BDADMP Cn1cccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194542248 387890731 /nfs/dbraw/zinc/89/07/31/387890731.db2.gz VSQFVDJVJWVISD-TXEJJXNPSA-N 2 1 219.332 1.019 20 0 BDADMP Cn1cccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194542248 387890734 /nfs/dbraw/zinc/89/07/34/387890734.db2.gz VSQFVDJVJWVISD-TXEJJXNPSA-N 2 1 219.332 1.019 20 0 BDADMP CCOC1CC(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423076824 387875986 /nfs/dbraw/zinc/87/59/86/387875986.db2.gz ZWRJPMJBDKOYSA-RYSNWHEDSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000423083279 387878312 /nfs/dbraw/zinc/87/83/12/387878312.db2.gz FSPGTWMHTICAGB-XQQFMLRXSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423083279 387878314 /nfs/dbraw/zinc/87/83/14/387878314.db2.gz FSPGTWMHTICAGB-XQQFMLRXSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000423083278 387878906 /nfs/dbraw/zinc/87/89/06/387878906.db2.gz FSPGTWMHTICAGB-RWMBFGLXSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423083278 387878908 /nfs/dbraw/zinc/87/89/08/387878908.db2.gz FSPGTWMHTICAGB-RWMBFGLXSA-N 2 1 241.423 1.822 20 0 BDADMP COCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423117597 387898494 /nfs/dbraw/zinc/89/84/94/387898494.db2.gz WEICHDDFDHROHL-NSHDSACASA-N 2 1 249.358 1.961 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCCO1 ZINC000313357064 387888610 /nfs/dbraw/zinc/88/86/10/387888610.db2.gz SUVQLGVAMIOWQA-QWRGUYRKSA-N 2 1 248.317 1.471 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423125803 387905848 /nfs/dbraw/zinc/90/58/48/387905848.db2.gz AHWSSLWDBBPMCB-USWWRNFRSA-N 2 1 212.337 1.142 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000423131827 387910023 /nfs/dbraw/zinc/91/00/23/387910023.db2.gz OMUDKXCQQXSAJW-BDAKNGLRSA-N 2 1 225.336 1.761 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000423137316 387913110 /nfs/dbraw/zinc/91/31/10/387913110.db2.gz QTXXFCOYTVBETF-RTXFEEFZSA-N 2 1 226.364 1.532 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000423151059 387930366 /nfs/dbraw/zinc/93/03/66/387930366.db2.gz ZRPYUKRVAWMCPF-SRVKXCTJSA-N 2 1 214.353 1.532 20 0 BDADMP CC(C)OC(=O)[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000423153305 387932332 /nfs/dbraw/zinc/93/23/32/387932332.db2.gz NBLOBOZTOQGQBO-RYUDHWBXSA-N 2 1 244.379 1.680 20 0 BDADMP C[C@@H]([NH2+][C@@H]1COCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423156029 387933877 /nfs/dbraw/zinc/93/38/77/387933877.db2.gz LXRSYUCZHXQGFZ-OUAUKWLOSA-N 2 1 212.337 1.142 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000423144667 387920827 /nfs/dbraw/zinc/92/08/27/387920827.db2.gz ZJDCDAMNVSYKNE-FRRDWIJNSA-N 2 1 227.396 1.576 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423167287 387952134 /nfs/dbraw/zinc/95/21/34/387952134.db2.gz RYCMPLGOPNKDII-NDBYEHHHSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000423170064 387953916 /nfs/dbraw/zinc/95/39/16/387953916.db2.gz XIGHXPVPVCCBGX-DEQVHRJGSA-N 2 1 234.343 1.058 20 0 BDADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](O)C1 ZINC000423170067 387954625 /nfs/dbraw/zinc/95/46/25/387954625.db2.gz XIGHXPVPVCCBGX-ZZVYKPCYSA-N 2 1 234.343 1.058 20 0 BDADMP Cc1ncsc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423156690 387937581 /nfs/dbraw/zinc/93/75/81/387937581.db2.gz TVLKZGQLAZWQKP-ONGXEEELSA-N 2 1 239.388 1.582 20 0 BDADMP Cc1cccnc1CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423159580 387940878 /nfs/dbraw/zinc/94/08/78/387940878.db2.gz YJHVXIVGLRKETR-DZGCQCFKSA-N 2 1 247.386 1.910 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423160084 387940915 /nfs/dbraw/zinc/94/09/15/387940915.db2.gz GUSMCLZFDRIIEQ-OCCSQVGLSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@@H](NCCCC[N@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423160084 387940919 /nfs/dbraw/zinc/94/09/19/387940919.db2.gz GUSMCLZFDRIIEQ-OCCSQVGLSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H](NCCCC[N@@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423160084 387940923 /nfs/dbraw/zinc/94/09/23/387940923.db2.gz GUSMCLZFDRIIEQ-OCCSQVGLSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000423159533 387941545 /nfs/dbraw/zinc/94/15/45/387941545.db2.gz FVAANBORBWGHCV-VOAKCMCISA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@H](C)O1 ZINC000392234624 387942485 /nfs/dbraw/zinc/94/24/85/387942485.db2.gz DDEUKDUHCDJRCV-NTZNESFSSA-N 2 1 224.348 1.404 20 0 BDADMP COc1cccnc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423161820 387942907 /nfs/dbraw/zinc/94/29/07/387942907.db2.gz JTCFYPBYVTVVCA-QWRGUYRKSA-N 2 1 235.331 1.307 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423162359 387943421 /nfs/dbraw/zinc/94/34/21/387943421.db2.gz KSMXLBTUQQIHLS-XYJRDEOASA-N 2 1 208.349 1.620 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@H]1CCC[NH2+]1 ZINC000423165331 387948865 /nfs/dbraw/zinc/94/88/65/387948865.db2.gz PUNQFUSZSLRREC-WISYIIOYSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)nc1 ZINC000423170778 387957915 /nfs/dbraw/zinc/95/79/15/387957915.db2.gz YVIHWCYGYIBRNF-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423171515 387958070 /nfs/dbraw/zinc/95/80/70/387958070.db2.gz OSWUHKDSXFUOCD-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423171515 387958075 /nfs/dbraw/zinc/95/80/75/387958075.db2.gz OSWUHKDSXFUOCD-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423171515 387958079 /nfs/dbraw/zinc/95/80/79/387958079.db2.gz OSWUHKDSXFUOCD-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2cncn2c1 ZINC000423172445 387959198 /nfs/dbraw/zinc/95/91/98/387959198.db2.gz SYCKXIODLJABKH-GXTWGEPZSA-N 2 1 244.342 1.551 20 0 BDADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[NH3+])C1 ZINC000423177068 387962565 /nfs/dbraw/zinc/96/25/65/387962565.db2.gz DQPRBBSKIOOOBV-OLZOCXBDSA-N 2 1 233.359 1.965 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCS1 ZINC000245587516 387964247 /nfs/dbraw/zinc/96/42/47/387964247.db2.gz FFAHLMFXPGDBOF-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCS1 ZINC000245587516 387964249 /nfs/dbraw/zinc/96/42/49/387964249.db2.gz FFAHLMFXPGDBOF-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCS1 ZINC000245587516 387964252 /nfs/dbraw/zinc/96/42/52/387964252.db2.gz FFAHLMFXPGDBOF-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH3+])C1 ZINC000423182378 387967360 /nfs/dbraw/zinc/96/73/60/387967360.db2.gz LPRQRUWFAPWAPZ-TZMCWYRMSA-N 2 1 233.359 1.370 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000245630833 387968006 /nfs/dbraw/zinc/96/80/06/387968006.db2.gz QCGBXINCNJPCQU-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000245630833 387968009 /nfs/dbraw/zinc/96/80/09/387968009.db2.gz QCGBXINCNJPCQU-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000245630833 387968013 /nfs/dbraw/zinc/96/80/13/387968013.db2.gz QCGBXINCNJPCQU-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000423195776 387980239 /nfs/dbraw/zinc/98/02/39/387980239.db2.gz ZYXZMOPTCONJSA-QWHCGFSZSA-N 2 1 204.317 1.871 20 0 BDADMP C[N@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423191489 387976605 /nfs/dbraw/zinc/97/66/05/387976605.db2.gz UFVYZTFIAOBQKD-MELADBBJSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423191489 387976606 /nfs/dbraw/zinc/97/66/06/387976606.db2.gz UFVYZTFIAOBQKD-MELADBBJSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423191489 387976607 /nfs/dbraw/zinc/97/66/07/387976607.db2.gz UFVYZTFIAOBQKD-MELADBBJSA-N 3 1 237.391 1.201 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cn[nH]c1 ZINC000453136133 387994496 /nfs/dbraw/zinc/99/44/96/387994496.db2.gz PMWKLOYMUAHSBX-UHTWSYAYSA-N 2 1 236.363 1.933 20 0 BDADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCC1 ZINC000453106742 387986477 /nfs/dbraw/zinc/98/64/77/387986477.db2.gz ZWTNYHSXZRAMCS-KGLIPLIRSA-N 2 1 242.407 1.857 20 0 BDADMP CCc1cccnc1[C@H](C)[NH2+]CCC[NH2+]C ZINC000423199617 387986640 /nfs/dbraw/zinc/98/66/40/387986640.db2.gz KDHWEAAAWOBPKP-NSHDSACASA-N 2 1 221.348 1.904 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424373634 387997354 /nfs/dbraw/zinc/99/73/54/387997354.db2.gz JWYDUYXMQSXMIT-CYZMBNFOSA-N 2 1 236.363 1.824 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424375172 387999490 /nfs/dbraw/zinc/99/94/90/387999490.db2.gz MMZXZBLTMTXJBH-ASEORRQLSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423221198 388001357 /nfs/dbraw/zinc/00/13/57/388001357.db2.gz ZHAOCNBEWCYCQT-GHMZBOCLSA-N 2 1 237.322 1.871 20 0 BDADMP CCC1(CC)[C@H]([NH2+]CC[NH2+]C)C[C@@H]1OC ZINC000423223309 388004102 /nfs/dbraw/zinc/00/41/02/388004102.db2.gz FWXMULDNNRKNIX-MNOVXSKESA-N 2 1 214.353 1.389 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156620023 388010716 /nfs/dbraw/zinc/01/07/16/388010716.db2.gz GIKJYUZLIXAAKB-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156612345 388010878 /nfs/dbraw/zinc/01/08/78/388010878.db2.gz YKQMSXPMDWLUTG-IJLUTSLNSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156612345 388010883 /nfs/dbraw/zinc/01/08/83/388010883.db2.gz YKQMSXPMDWLUTG-IJLUTSLNSA-N 2 1 214.353 1.076 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424373573 387996324 /nfs/dbraw/zinc/99/63/24/387996324.db2.gz JTFSDXAQQHUTNC-FDYHWXHSSA-N 2 1 225.380 1.186 20 0 BDADMP CCN1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424373573 387996326 /nfs/dbraw/zinc/99/63/26/387996326.db2.gz JTFSDXAQQHUTNC-FDYHWXHSSA-N 2 1 225.380 1.186 20 0 BDADMP [NH3+]CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000420397817 387996796 /nfs/dbraw/zinc/99/67/96/387996796.db2.gz GIEZOTJTCLSTET-QWHCGFSZSA-N 2 1 220.316 1.313 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH2+]C)C1(CC)CC ZINC000423228192 388013183 /nfs/dbraw/zinc/01/31/83/388013183.db2.gz YQCOVGAGGXCFLT-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP C[NH2+]CCN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423228076 388013683 /nfs/dbraw/zinc/01/36/83/388013683.db2.gz YCCAZDZJTJOUQN-HIFRSBDPSA-N 2 1 247.386 1.458 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229381 388014710 /nfs/dbraw/zinc/01/47/10/388014710.db2.gz BCEGHWRUOSGYHV-FDYHWXHSSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423232317 388017024 /nfs/dbraw/zinc/01/70/24/388017024.db2.gz BWNKOHWGOWEWIM-SNPRPXQTSA-N 2 1 247.386 1.616 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423237801 388021674 /nfs/dbraw/zinc/02/16/74/388021674.db2.gz DVQQKYADCGLPBC-MNOVXSKESA-N 2 1 202.317 1.714 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cn[nH]c1 ZINC000423260359 388038631 /nfs/dbraw/zinc/03/86/31/388038631.db2.gz HDIRWDAHXODXFZ-GXFFZTMASA-N 2 1 236.363 1.968 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423258849 388038684 /nfs/dbraw/zinc/03/86/84/388038684.db2.gz CQKILUJNGMWZLA-HBNTYKKESA-N 2 1 202.342 1.373 20 0 BDADMP [NH3+]C[C@H]([NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000423261510 388039927 /nfs/dbraw/zinc/03/99/27/388039927.db2.gz JYYLDKGVDRKGBN-RUXDESIVSA-N 2 1 240.391 1.787 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCOCC1 ZINC000423261755 388040128 /nfs/dbraw/zinc/04/01/28/388040128.db2.gz KQUJXFUDLZHGMB-AAEUAGOBSA-N 2 1 228.380 1.765 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCOC[C@H]1C ZINC000423263176 388040380 /nfs/dbraw/zinc/04/03/80/388040380.db2.gz OABJCVWOQIECPE-IJLUTSLNSA-N 2 1 214.353 1.374 20 0 BDADMP C[C@H]1CSCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261527742 135151592 /nfs/dbraw/zinc/15/15/92/135151592.db2.gz GOPGYDPRZAEDMZ-SECBINFHSA-N 2 1 202.367 1.409 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccncc1F ZINC000423272347 388051027 /nfs/dbraw/zinc/05/10/27/388051027.db2.gz JXOWBLQRYQDQBM-ZJUUUORDSA-N 2 1 225.311 1.727 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000423272521 388051152 /nfs/dbraw/zinc/05/11/52/388051152.db2.gz ZAPXQQUABKEOMZ-QJPTWQEYSA-N 2 1 214.353 1.517 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423274773 388055547 /nfs/dbraw/zinc/05/55/47/388055547.db2.gz MJOGDHRIKCLNJK-RYUDHWBXSA-N 2 1 236.363 1.370 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423276201 388056355 /nfs/dbraw/zinc/05/63/55/388056355.db2.gz MQNMXAVQRADQJZ-GWCFXTLKSA-N 2 1 219.332 1.778 20 0 BDADMP Cc1ccncc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423276203 388056781 /nfs/dbraw/zinc/05/67/81/388056781.db2.gz MQNMXAVQRADQJZ-MFKMUULPSA-N 2 1 219.332 1.778 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccncc1 ZINC000423275879 388057077 /nfs/dbraw/zinc/05/70/77/388057077.db2.gz MFRKBJUDICDRFZ-CABZTGNLSA-N 2 1 205.305 1.470 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C12CCC2 ZINC000423284861 388068664 /nfs/dbraw/zinc/06/86/64/388068664.db2.gz XHCBBAMTJKXYSW-YNEHKIRRSA-N 2 1 238.375 1.661 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453393570 388069253 /nfs/dbraw/zinc/06/92/53/388069253.db2.gz VFMBYQQIMFAFKW-MBJXGIAVSA-N 2 1 240.391 1.466 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000423288445 388073449 /nfs/dbraw/zinc/07/34/49/388073449.db2.gz SBSNGEIMLBPYAI-WDEREUQCSA-N 2 1 213.369 1.044 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000423288445 388073453 /nfs/dbraw/zinc/07/34/53/388073453.db2.gz SBSNGEIMLBPYAI-WDEREUQCSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000423289482 388074421 /nfs/dbraw/zinc/07/44/21/388074421.db2.gz BBOTUQGKDZQYGI-ZLKJLUDKSA-N 3 1 233.359 1.676 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423289312 388074601 /nfs/dbraw/zinc/07/46/01/388074601.db2.gz WSRQWNIIGYFKDW-RWMBFGLXSA-N 2 1 241.423 1.822 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000084218088 388075388 /nfs/dbraw/zinc/07/53/88/388075388.db2.gz MIPFEITWWJWLJV-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP CCOC[C@@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000453417910 388077985 /nfs/dbraw/zinc/07/79/85/388077985.db2.gz WKBUHUGRYVZZGP-ZDUSSCGKSA-N 2 1 237.347 1.774 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCC[NH3+] ZINC000423297858 388079784 /nfs/dbraw/zinc/07/97/84/388079784.db2.gz MECZRWXAKXKDRZ-GHMZBOCLSA-N 3 1 201.358 1.221 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccnn1C ZINC000086496267 388103427 /nfs/dbraw/zinc/10/34/27/388103427.db2.gz BQHJGQHSBKCYMN-QWRGUYRKSA-N 2 1 222.336 1.040 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336661406 388103574 /nfs/dbraw/zinc/10/35/74/388103574.db2.gz JYSYGKRGQFUYRP-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000086696229 388106587 /nfs/dbraw/zinc/10/65/87/388106587.db2.gz JBVYLZGLLCQPLO-WTUNAVPPSA-N 2 1 240.391 1.872 20 0 BDADMP C([NH2+][C@H]1CCCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000086873342 388109279 /nfs/dbraw/zinc/10/92/79/388109279.db2.gz DUPIZUHAGIVNAG-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000643493597 388110015 /nfs/dbraw/zinc/11/00/15/388110015.db2.gz QLERLZKVICHRRE-DTVLGXAZSA-N 2 1 218.300 1.244 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1C(C)(C)C1(C)C ZINC000446969922 388046683 /nfs/dbraw/zinc/04/66/83/388046683.db2.gz SHNZJCKFNLWREV-WDEREUQCSA-N 2 1 242.407 1.569 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423269135 388047964 /nfs/dbraw/zinc/04/79/64/388047964.db2.gz GREAMFRDGUILDQ-TUAOUCFPSA-N 2 1 225.380 1.057 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423269135 388047968 /nfs/dbraw/zinc/04/79/68/388047968.db2.gz GREAMFRDGUILDQ-TUAOUCFPSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000164051123 388139097 /nfs/dbraw/zinc/13/90/97/388139097.db2.gz QTHJVLOOGNIUDR-WOPDTQHZSA-N 2 1 228.380 1.323 20 0 BDADMP O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000323187114 388254123 /nfs/dbraw/zinc/25/41/23/388254123.db2.gz QSAJKQZLMQLDHV-STQMWFEESA-N 2 1 224.348 1.116 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000304326916 388358942 /nfs/dbraw/zinc/35/89/42/388358942.db2.gz UKZVGZUHFZTIGP-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572643165 388362891 /nfs/dbraw/zinc/36/28/91/388362891.db2.gz LLRSYORXGJRULH-RDBSUJKOSA-N 2 1 240.391 1.590 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572643163 388363650 /nfs/dbraw/zinc/36/36/50/388363650.db2.gz LLRSYORXGJRULH-MCIONIFRSA-N 2 1 240.391 1.590 20 0 BDADMP CN(C)c1cc(NC(=O)CC2([NH3+])CCC2)cc[nH+]1 ZINC000646512662 388373883 /nfs/dbraw/zinc/37/38/83/388373883.db2.gz NAQRDCMDUOARGT-UHFFFAOYSA-N 2 1 248.330 1.358 20 0 BDADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000315698184 388402005 /nfs/dbraw/zinc/40/20/05/388402005.db2.gz FORSYSKDPPOFBT-AWEZNQCLSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H]1C[C@H](N(C)CC2(F)CC2)CC[N@H+]1C ZINC000525978357 388442146 /nfs/dbraw/zinc/44/21/46/388442146.db2.gz PRLQZNWFEQGXPQ-WDEREUQCSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CC2(F)CC2)CCN1C ZINC000525978357 388442148 /nfs/dbraw/zinc/44/21/48/388442148.db2.gz PRLQZNWFEQGXPQ-WDEREUQCSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CC2(F)CC2)CCN1C ZINC000525978357 388442149 /nfs/dbraw/zinc/44/21/49/388442149.db2.gz PRLQZNWFEQGXPQ-WDEREUQCSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393910623 388446024 /nfs/dbraw/zinc/44/60/24/388446024.db2.gz BJZBRVIRAMHDRS-XKNYDFJKSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393910623 388446027 /nfs/dbraw/zinc/44/60/27/388446027.db2.gz BJZBRVIRAMHDRS-XKNYDFJKSA-N 2 1 218.291 1.570 20 0 BDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH3+])c1ccccc1 ZINC000194937737 388458188 /nfs/dbraw/zinc/45/81/88/388458188.db2.gz PTGKDDNSPMURSY-DGCLKSJQSA-N 2 1 249.358 1.143 20 0 BDADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336712668 388466510 /nfs/dbraw/zinc/46/65/10/388466510.db2.gz SSWZVZXVPQVRDE-IJLUTSLNSA-N 2 1 246.420 1.173 20 0 BDADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336712668 388466512 /nfs/dbraw/zinc/46/65/12/388466512.db2.gz SSWZVZXVPQVRDE-IJLUTSLNSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCO1 ZINC000336726929 388470048 /nfs/dbraw/zinc/47/00/48/388470048.db2.gz VPWAVFDWTMLWTO-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000378752803 388496629 /nfs/dbraw/zinc/49/66/29/388496629.db2.gz WAEWQDKPUOFBHZ-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000378752803 388496633 /nfs/dbraw/zinc/49/66/33/388496633.db2.gz WAEWQDKPUOFBHZ-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000378752803 388496636 /nfs/dbraw/zinc/49/66/36/388496636.db2.gz WAEWQDKPUOFBHZ-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000378752803 388496639 /nfs/dbraw/zinc/49/66/39/388496639.db2.gz WAEWQDKPUOFBHZ-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP c1cnn(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000135463275 388497177 /nfs/dbraw/zinc/49/71/77/388497177.db2.gz QGOBGIVUSXNGAD-ZIAGYGMSSA-N 2 1 248.374 1.490 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000342805882 388499163 /nfs/dbraw/zinc/49/91/63/388499163.db2.gz KXEDSFGEZFWNDR-FRRDWIJNSA-N 2 1 240.391 1.610 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000398035758 388515292 /nfs/dbraw/zinc/51/52/92/388515292.db2.gz PRWMDXZPLHXYHC-OLZOCXBDSA-N 2 1 240.391 1.779 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000378839677 388520070 /nfs/dbraw/zinc/52/00/70/388520070.db2.gz XGRVIBGERRLKSU-BFHYXJOUSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000378839677 388520072 /nfs/dbraw/zinc/52/00/72/388520072.db2.gz XGRVIBGERRLKSU-BFHYXJOUSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000080773989 388561173 /nfs/dbraw/zinc/56/11/73/388561173.db2.gz LVUNADXCCSYKGH-GFCCVEGCSA-N 2 1 207.321 1.446 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CCSC1 ZINC000224611528 388666883 /nfs/dbraw/zinc/66/68/83/388666883.db2.gz NVFAWVYUSCDGHA-SDDRHHMPSA-N 2 1 228.405 1.941 20 0 BDADMP CCn1nccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000125194941 388669653 /nfs/dbraw/zinc/66/96/53/388669653.db2.gz GNGJIJBGBVRRJU-GFCCVEGCSA-N 2 1 248.374 1.477 20 0 BDADMP CCn1nccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000125194941 388669657 /nfs/dbraw/zinc/66/96/57/388669657.db2.gz GNGJIJBGBVRRJU-GFCCVEGCSA-N 2 1 248.374 1.477 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248055840 388672630 /nfs/dbraw/zinc/67/26/30/388672630.db2.gz XHVBYHSOUQQFBS-MELADBBJSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248055840 388672631 /nfs/dbraw/zinc/67/26/31/388672631.db2.gz XHVBYHSOUQQFBS-MELADBBJSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248055840 388672633 /nfs/dbraw/zinc/67/26/33/388672633.db2.gz XHVBYHSOUQQFBS-MELADBBJSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000248048013 388672884 /nfs/dbraw/zinc/67/28/84/388672884.db2.gz VRHPDRLFQSSWEN-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCCC2)[C@@H](C)C1 ZINC000248048013 388672886 /nfs/dbraw/zinc/67/28/86/388672886.db2.gz VRHPDRLFQSSWEN-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCCC2)[C@@H](C)C1 ZINC000248048013 388672890 /nfs/dbraw/zinc/67/28/90/388672890.db2.gz VRHPDRLFQSSWEN-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248495001 388682565 /nfs/dbraw/zinc/68/25/65/388682565.db2.gz PZSRXGGCUXHSNO-YZELDIBWSA-N 2 1 246.420 1.072 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248495001 388682568 /nfs/dbraw/zinc/68/25/68/388682568.db2.gz PZSRXGGCUXHSNO-YZELDIBWSA-N 2 1 246.420 1.072 20 0 BDADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248557741 388683508 /nfs/dbraw/zinc/68/35/08/388683508.db2.gz LQGUNSNPUSZUJB-XJFOESAGSA-N 2 1 238.375 1.506 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCOCC2)[C@@H](C)C1 ZINC000246321277 388630471 /nfs/dbraw/zinc/63/04/71/388630471.db2.gz MYMLIVURMNINHL-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530217984 388630494 /nfs/dbraw/zinc/63/04/94/388630494.db2.gz HYPZGCDEEHVTKY-NWDGAFQWSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCCC[NH2+]1 ZINC000530219525 388631904 /nfs/dbraw/zinc/63/19/04/388631904.db2.gz JPFOGXUSTMSHBA-CQLXCSJHSA-N 2 1 224.348 1.286 20 0 BDADMP CC1(C)CC(C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000530222217 388633263 /nfs/dbraw/zinc/63/32/63/388633263.db2.gz GHAJWCHVNPYKOE-GFCCVEGCSA-N 2 1 226.364 1.472 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000521858916 388634515 /nfs/dbraw/zinc/63/45/15/388634515.db2.gz BGCLEAPTXUDKMB-MGPQQGTHSA-N 3 1 239.407 1.496 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC000189508404 388636021 /nfs/dbraw/zinc/63/60/21/388636021.db2.gz VBVHIQYDJUAVFV-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189508404 388636023 /nfs/dbraw/zinc/63/60/23/388636023.db2.gz VBVHIQYDJUAVFV-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189508404 388636025 /nfs/dbraw/zinc/63/60/25/388636025.db2.gz VBVHIQYDJUAVFV-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CC(F)(F)CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000530231177 388636771 /nfs/dbraw/zinc/63/67/71/388636771.db2.gz FMJHNMNNBNPYFH-LLVKDONJSA-N 2 1 247.333 1.011 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000083397612 388638578 /nfs/dbraw/zinc/63/85/78/388638578.db2.gz NLQZLEHFWRJCRE-QWHCGFSZSA-N 2 1 228.380 1.589 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000223057316 388646886 /nfs/dbraw/zinc/64/68/86/388646886.db2.gz YVOLLRASIUISTF-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000223057316 388646889 /nfs/dbraw/zinc/64/68/89/388646889.db2.gz YVOLLRASIUISTF-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000223057316 388646890 /nfs/dbraw/zinc/64/68/90/388646890.db2.gz YVOLLRASIUISTF-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCSC1 ZINC000223006810 388647785 /nfs/dbraw/zinc/64/77/85/388647785.db2.gz QBOLXINXVQFUIM-SNVBAGLBSA-N 2 1 211.334 1.287 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCO1 ZINC000246859390 388653382 /nfs/dbraw/zinc/65/33/82/388653382.db2.gz CXYJSIVPARVUJR-YVECIDJPSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCO1 ZINC000246859390 388653383 /nfs/dbraw/zinc/65/33/83/388653383.db2.gz CXYJSIVPARVUJR-YVECIDJPSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH+]1C ZINC000246875852 388654172 /nfs/dbraw/zinc/65/41/72/388654172.db2.gz DSRUCNLBJNKYHG-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000246875852 388654175 /nfs/dbraw/zinc/65/41/75/388654175.db2.gz DSRUCNLBJNKYHG-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000246875852 388654177 /nfs/dbraw/zinc/65/41/77/388654177.db2.gz DSRUCNLBJNKYHG-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000246875852 388654179 /nfs/dbraw/zinc/65/41/79/388654179.db2.gz DSRUCNLBJNKYHG-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000246875852 388654182 /nfs/dbraw/zinc/65/41/82/388654182.db2.gz DSRUCNLBJNKYHG-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224014089 388660105 /nfs/dbraw/zinc/66/01/05/388660105.db2.gz SSETXHWDDIPUFR-QJPTWQEYSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224014089 388660108 /nfs/dbraw/zinc/66/01/08/388660108.db2.gz SSETXHWDDIPUFR-QJPTWQEYSA-N 2 1 214.353 1.220 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1C ZINC000251795820 388754020 /nfs/dbraw/zinc/75/40/20/388754020.db2.gz MBPUVDPJNCNBIO-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@@H]1C ZINC000251795820 388754022 /nfs/dbraw/zinc/75/40/22/388754022.db2.gz MBPUVDPJNCNBIO-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@@H]1C ZINC000251795820 388754024 /nfs/dbraw/zinc/75/40/24/388754024.db2.gz MBPUVDPJNCNBIO-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000248890832 388699000 /nfs/dbraw/zinc/69/90/00/388699000.db2.gz AWPGZEXBPZBFHZ-YVECIDJPSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000248890832 388699001 /nfs/dbraw/zinc/69/90/01/388699001.db2.gz AWPGZEXBPZBFHZ-YVECIDJPSA-N 2 1 226.364 1.626 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248982412 388701872 /nfs/dbraw/zinc/70/18/72/388701872.db2.gz FWENTQYXOJLASG-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000249072747 388706834 /nfs/dbraw/zinc/70/68/34/388706834.db2.gz QPPZVSCGZFRGRE-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)COC)[C@H](C)C1 ZINC000249262595 388714242 /nfs/dbraw/zinc/71/42/42/388714242.db2.gz HYKGFRFUDOMDNN-MJBXVCDLSA-N 2 1 242.407 1.931 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)COC)[C@H](C)C1 ZINC000249262595 388714245 /nfs/dbraw/zinc/71/42/45/388714245.db2.gz HYKGFRFUDOMDNN-MJBXVCDLSA-N 2 1 242.407 1.931 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)COC)[C@H](C)C1 ZINC000249262595 388714246 /nfs/dbraw/zinc/71/42/46/388714246.db2.gz HYKGFRFUDOMDNN-MJBXVCDLSA-N 2 1 242.407 1.931 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)COC)[C@@H](C)C1 ZINC000249262597 388714653 /nfs/dbraw/zinc/71/46/53/388714653.db2.gz HYKGFRFUDOMDNN-RDBSUJKOSA-N 2 1 242.407 1.931 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)COC)[C@@H](C)C1 ZINC000249262597 388714657 /nfs/dbraw/zinc/71/46/57/388714657.db2.gz HYKGFRFUDOMDNN-RDBSUJKOSA-N 2 1 242.407 1.931 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)COC)[C@@H](C)C1 ZINC000249262597 388714658 /nfs/dbraw/zinc/71/46/58/388714658.db2.gz HYKGFRFUDOMDNN-RDBSUJKOSA-N 2 1 242.407 1.931 20 0 BDADMP CC[C@@](C)(O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249367937 388718019 /nfs/dbraw/zinc/71/80/19/388718019.db2.gz MUACZSFLIAYLIY-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@](C)(O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000249367937 388718022 /nfs/dbraw/zinc/71/80/22/388718022.db2.gz MUACZSFLIAYLIY-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@@](C)(O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000249367937 388718023 /nfs/dbraw/zinc/71/80/23/388718023.db2.gz MUACZSFLIAYLIY-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CS1 ZINC000229590287 388796104 /nfs/dbraw/zinc/79/61/04/388796104.db2.gz JKQMRZSZGKZMHN-WHOHXGKFSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CS1 ZINC000229590287 388796110 /nfs/dbraw/zinc/79/61/10/388796110.db2.gz JKQMRZSZGKZMHN-WHOHXGKFSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000252716673 388775700 /nfs/dbraw/zinc/77/57/00/388775700.db2.gz ZBQAVAXCPQCMDF-MROQNXINSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOC(C)(C)C ZINC000252742916 388779548 /nfs/dbraw/zinc/77/95/48/388779548.db2.gz OCLBGBGSVQXNRM-NWDGAFQWSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1C[C@H](NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000093978068 388856848 /nfs/dbraw/zinc/85/68/48/388856848.db2.gz AHOYTSCOKMUKDO-DGCLKSJQSA-N 2 1 225.380 1.153 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H]1CCCO1 ZINC000565156528 388918609 /nfs/dbraw/zinc/91/86/09/388918609.db2.gz IRXQXZCUAMHVPR-CYBMUJFWSA-N 2 1 237.347 1.464 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H]1CCCO1 ZINC000565156528 388918611 /nfs/dbraw/zinc/91/86/11/388918611.db2.gz IRXQXZCUAMHVPR-CYBMUJFWSA-N 2 1 237.347 1.464 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000565159562 388919411 /nfs/dbraw/zinc/91/94/11/388919411.db2.gz ZYDBEDKIRSORIH-UTUOFQBUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000565159562 388919414 /nfs/dbraw/zinc/91/94/14/388919414.db2.gz ZYDBEDKIRSORIH-UTUOFQBUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000565718150 388966105 /nfs/dbraw/zinc/96/61/05/388966105.db2.gz HKONPHPLPALHIG-GRYCIOLGSA-N 2 1 241.379 1.055 20 0 BDADMP CC[C@]1(O)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000565370318 388940848 /nfs/dbraw/zinc/94/08/48/388940848.db2.gz SCUDUHOUIYTFTK-ZDUSSCGKSA-N 2 1 237.347 1.200 20 0 BDADMP CC[C@]1(O)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000565370318 388940851 /nfs/dbraw/zinc/94/08/51/388940851.db2.gz SCUDUHOUIYTFTK-ZDUSSCGKSA-N 2 1 237.347 1.200 20 0 BDADMP C[C@H]([NH2+]CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491232 389033690 /nfs/dbraw/zinc/03/36/90/389033690.db2.gz NBQBNOSYYBXPDO-DZGCQCFKSA-N 2 1 248.370 1.479 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949828 533374584 /nfs/dbraw/zinc/37/45/84/533374584.db2.gz FTPKLTYZUIRXFX-CYBMUJFWSA-N 3 1 237.391 1.062 20 0 BDADMP C[NH2+]CC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000053664018 132229902 /nfs/dbraw/zinc/22/99/02/132229902.db2.gz UGHABXBGPDUHQP-UHFFFAOYSA-N 2 1 234.347 1.529 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000333902416 132245591 /nfs/dbraw/zinc/24/55/91/132245591.db2.gz IZOCQHGAPZUZMN-GXSJLCMTSA-N 2 1 243.314 1.146 20 0 BDADMP Cc1cc(N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc[nH+]1 ZINC000372336359 132285992 /nfs/dbraw/zinc/28/59/92/132285992.db2.gz GBCIYOREFSNJPQ-OCCSQVGLSA-N 2 1 231.343 1.920 20 0 BDADMP CCOCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000087979754 133541975 /nfs/dbraw/zinc/54/19/75/133541975.db2.gz BCDNUHRKCWWQOE-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP C[C@H](F)CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000352006601 134034697 /nfs/dbraw/zinc/03/46/97/134034697.db2.gz URMYIQSBFYHANB-QWHCGFSZSA-N 2 1 244.354 1.389 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000336022149 134055972 /nfs/dbraw/zinc/05/59/72/134055972.db2.gz BPAXJBTVSAYDRD-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000336022149 134055973 /nfs/dbraw/zinc/05/59/73/134055973.db2.gz BPAXJBTVSAYDRD-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(CCC(F)(F)F)C2)C1 ZINC000336198503 134127230 /nfs/dbraw/zinc/12/72/30/134127230.db2.gz RYCTZFHROOYZPJ-SNVBAGLBSA-N 2 1 236.281 1.966 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(F)(F)F)C2)C1 ZINC000336198503 134127231 /nfs/dbraw/zinc/12/72/31/134127231.db2.gz RYCTZFHROOYZPJ-SNVBAGLBSA-N 2 1 236.281 1.966 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(F)(F)F)C2)C1 ZINC000336198503 134127232 /nfs/dbraw/zinc/12/72/32/134127232.db2.gz RYCTZFHROOYZPJ-SNVBAGLBSA-N 2 1 236.281 1.966 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(F)(F)F)C2)C1 ZINC000336198503 134127233 /nfs/dbraw/zinc/12/72/33/134127233.db2.gz RYCTZFHROOYZPJ-SNVBAGLBSA-N 2 1 236.281 1.966 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167602076 134152851 /nfs/dbraw/zinc/15/28/51/134152851.db2.gz XCDVJGXIZSTOCN-SRVKXCTJSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000168511804 134225275 /nfs/dbraw/zinc/22/52/75/134225275.db2.gz CGBNBFZGKPAGSI-JQWIXIFHSA-N 2 1 220.316 1.561 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)c2ccccc21 ZINC000169246273 134250210 /nfs/dbraw/zinc/25/02/10/134250210.db2.gz SPKMGYPXRPRFBG-WQAKAFBOSA-N 2 1 218.300 1.510 20 0 BDADMP COCCOCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000175716374 134286902 /nfs/dbraw/zinc/28/69/02/134286902.db2.gz SPLNXKPOOZKIJG-QWHCGFSZSA-N 2 1 244.379 1.064 20 0 BDADMP COCCOCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000175716374 134286903 /nfs/dbraw/zinc/28/69/03/134286903.db2.gz SPLNXKPOOZKIJG-QWHCGFSZSA-N 2 1 244.379 1.064 20 0 BDADMP COCCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000175716374 134286904 /nfs/dbraw/zinc/28/69/04/134286904.db2.gz SPLNXKPOOZKIJG-QWHCGFSZSA-N 2 1 244.379 1.064 20 0 BDADMP C[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000219864240 134291988 /nfs/dbraw/zinc/29/19/88/134291988.db2.gz KHKQWDAJWJKMMI-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000219864240 134291989 /nfs/dbraw/zinc/29/19/89/134291989.db2.gz KHKQWDAJWJKMMI-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000219843093 134292281 /nfs/dbraw/zinc/29/22/81/134292281.db2.gz FBRAVEPSPDBDDI-LLVKDONJSA-N 2 1 222.307 1.915 20 0 BDADMP Cc1ccc(F)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000219843093 134292282 /nfs/dbraw/zinc/29/22/82/134292282.db2.gz FBRAVEPSPDBDDI-LLVKDONJSA-N 2 1 222.307 1.915 20 0 BDADMP C[C@@H]([NH3+])CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000178655039 134312606 /nfs/dbraw/zinc/31/26/06/134312606.db2.gz SSPOGEDQGINASD-YPMHNXCESA-N 2 1 249.358 1.143 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000221520040 134324910 /nfs/dbraw/zinc/32/49/10/134324910.db2.gz RVBYSIPYURROIG-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000182237082 134343545 /nfs/dbraw/zinc/34/35/45/134343545.db2.gz CUHKNBTVCKJBTK-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000182237082 134343546 /nfs/dbraw/zinc/34/35/46/134343546.db2.gz CUHKNBTVCKJBTK-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000182237082 134343547 /nfs/dbraw/zinc/34/35/47/134343547.db2.gz CUHKNBTVCKJBTK-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP CCOC1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000224375071 134346581 /nfs/dbraw/zinc/34/65/81/134346581.db2.gz JZLDMBDUKQMWSO-HOAMVYINSA-N 2 1 238.375 1.770 20 0 BDADMP CCOC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000224375071 134346582 /nfs/dbraw/zinc/34/65/82/134346582.db2.gz JZLDMBDUKQMWSO-HOAMVYINSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000226179174 134359801 /nfs/dbraw/zinc/35/98/01/134359801.db2.gz SJJUWQBDHZKWCJ-XQHKEYJVSA-N 2 1 228.380 1.323 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(CO)CCC1 ZINC000185233026 134375788 /nfs/dbraw/zinc/37/57/88/134375788.db2.gz ZLNBZVRUGQFCEA-UHFFFAOYSA-N 2 1 249.358 1.400 20 0 BDADMP CC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000070657829 135007003 /nfs/dbraw/zinc/00/70/03/135007003.db2.gz IRKVWCZGBHLILB-WODVXLOZSA-N 2 1 226.364 1.626 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248986566 135029183 /nfs/dbraw/zinc/02/91/83/135029183.db2.gz XBAZIKGNRDDGIH-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248986566 135029184 /nfs/dbraw/zinc/02/91/84/135029184.db2.gz XBAZIKGNRDDGIH-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248986566 135029186 /nfs/dbraw/zinc/02/91/86/135029186.db2.gz XBAZIKGNRDDGIH-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000249685245 135043913 /nfs/dbraw/zinc/04/39/13/135043913.db2.gz MQDUWQXQEPACQP-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1C ZINC000250895758 135060685 /nfs/dbraw/zinc/06/06/85/135060685.db2.gz VHVBRZWURZTJIU-KGLIPLIRSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C ZINC000250895758 135060686 /nfs/dbraw/zinc/06/06/86/135060686.db2.gz VHVBRZWURZTJIU-KGLIPLIRSA-N 2 1 248.374 1.445 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000250979614 135061397 /nfs/dbraw/zinc/06/13/97/135061397.db2.gz BEQLPIWTWJNSJZ-OLZOCXBDSA-N 2 1 238.375 1.508 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251187886 135065106 /nfs/dbraw/zinc/06/51/06/135065106.db2.gz INLSAKPEGBTRDC-UPJWGTAASA-N 2 1 226.364 1.364 20 0 BDADMP OCCC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251420290 135069780 /nfs/dbraw/zinc/06/97/80/135069780.db2.gz SDNGISNTJHIRKN-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP C1CC1[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000251472199 135069909 /nfs/dbraw/zinc/06/99/09/135069909.db2.gz VXWBCPPDCUIEKU-KCQAQPDRSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000251472199 135069911 /nfs/dbraw/zinc/06/99/11/135069911.db2.gz VXWBCPPDCUIEKU-KCQAQPDRSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000251472199 135069913 /nfs/dbraw/zinc/06/99/13/135069913.db2.gz VXWBCPPDCUIEKU-KCQAQPDRSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000251472199 135069914 /nfs/dbraw/zinc/06/99/14/135069914.db2.gz VXWBCPPDCUIEKU-KCQAQPDRSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000251472199 135069916 /nfs/dbraw/zinc/06/99/16/135069916.db2.gz VXWBCPPDCUIEKU-KCQAQPDRSA-N 2 1 249.402 1.440 20 0 BDADMP C[NH+](C)CCC1CC[NH+](Cc2ccon2)CC1 ZINC000077655216 135071432 /nfs/dbraw/zinc/07/14/32/135071432.db2.gz QQOZWOUDXJHSLG-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000251380600 135071922 /nfs/dbraw/zinc/07/19/22/135071922.db2.gz HMIPZTUOTQXGQM-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000251762388 135076580 /nfs/dbraw/zinc/07/65/80/135076580.db2.gz KGRROGCMFNPWFZ-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000251754395 135076738 /nfs/dbraw/zinc/07/67/38/135076738.db2.gz LMGBDFJJPBPVCC-ZYHUDNBSSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000251754395 135076740 /nfs/dbraw/zinc/07/67/40/135076740.db2.gz LMGBDFJJPBPVCC-ZYHUDNBSSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOCC[NH3+] ZINC000086435552 135084758 /nfs/dbraw/zinc/08/47/58/135084758.db2.gz CXAAFDIWBKRQLY-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000252190104 135086905 /nfs/dbraw/zinc/08/69/05/135086905.db2.gz UVFMYKFGSFMWDN-JHJVBQTASA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250245263 135090895 /nfs/dbraw/zinc/09/08/95/135090895.db2.gz HWLYQCBYACABFC-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)CC(C)(C)C[NH3+] ZINC000086637577 135091470 /nfs/dbraw/zinc/09/14/70/135091470.db2.gz AGOQTWBNTOXFSC-UHFFFAOYSA-N 2 1 222.332 1.809 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)C[C@H]1CCC[N@H+]1C ZINC000252581983 135092479 /nfs/dbraw/zinc/09/24/79/135092479.db2.gz UHFOCANZFIPYJG-QWHCGFSZSA-N 2 1 227.396 1.386 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252511891 135092534 /nfs/dbraw/zinc/09/25/34/135092534.db2.gz HSPHTYATIMKAGK-MROQNXINSA-N 2 1 228.380 1.323 20 0 BDADMP C([NH2+]C1CCCCC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252513470 135092678 /nfs/dbraw/zinc/09/26/78/135092678.db2.gz RXOKRQOWJSFHCE-KBPBESRZSA-N 2 1 238.375 1.772 20 0 BDADMP C([NH2+]C1CCCCC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252513470 135092681 /nfs/dbraw/zinc/09/26/81/135092681.db2.gz RXOKRQOWJSFHCE-KBPBESRZSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1c[nH+]ccc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539991 135092792 /nfs/dbraw/zinc/09/27/92/135092792.db2.gz CBUZJFZLILZCRT-QWHCGFSZSA-N 2 1 247.342 1.665 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000252716204 135101931 /nfs/dbraw/zinc/10/19/31/135101931.db2.gz XXCHPIHEZIFPIM-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252774177 135108168 /nfs/dbraw/zinc/10/81/68/135108168.db2.gz WJRYQBYSDKZSAA-QNWJLWSRSA-N 2 1 228.380 1.464 20 0 BDADMP CCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252844500 135112767 /nfs/dbraw/zinc/11/27/67/135112767.db2.gz DPBFKFOMSOCFDY-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCO ZINC000253336481 135126417 /nfs/dbraw/zinc/12/64/17/135126417.db2.gz YKPGEGGCBLIIBH-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2nccs2)CC1 ZINC000087391325 135127744 /nfs/dbraw/zinc/12/77/44/135127744.db2.gz OVEYRGAXXFPNFC-UHFFFAOYSA-N 2 1 211.334 1.314 20 0 BDADMP Cc1c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cnn1C ZINC000257671188 135138691 /nfs/dbraw/zinc/13/86/91/135138691.db2.gz IKNJWHAVTOKIOR-AWEZNQCLSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cnn1C ZINC000257671188 135138692 /nfs/dbraw/zinc/13/86/92/135138692.db2.gz IKNJWHAVTOKIOR-AWEZNQCLSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257654012 135138718 /nfs/dbraw/zinc/13/87/18/135138718.db2.gz DYULXDQVMLXRJV-CQSZACIVSA-N 2 1 249.358 1.867 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257654012 135138720 /nfs/dbraw/zinc/13/87/20/135138720.db2.gz DYULXDQVMLXRJV-CQSZACIVSA-N 2 1 249.358 1.867 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257678107 135139287 /nfs/dbraw/zinc/13/92/87/135139287.db2.gz KGGNEZTWZNUZAY-ZDUSSCGKSA-N 2 1 208.349 1.862 20 0 BDADMP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000257705016 135139936 /nfs/dbraw/zinc/13/99/36/135139936.db2.gz RBIRPQMSBAJVPJ-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000257705016 135139938 /nfs/dbraw/zinc/13/99/38/135139938.db2.gz RBIRPQMSBAJVPJ-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257722413 135140738 /nfs/dbraw/zinc/14/07/38/135140738.db2.gz PVESBVQJULQOST-OCCSQVGLSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257722413 135140740 /nfs/dbraw/zinc/14/07/40/135140740.db2.gz PVESBVQJULQOST-OCCSQVGLSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257722414 135140933 /nfs/dbraw/zinc/14/09/33/135140933.db2.gz PVESBVQJULQOST-TZMCWYRMSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257722414 135140934 /nfs/dbraw/zinc/14/09/34/135140934.db2.gz PVESBVQJULQOST-TZMCWYRMSA-N 2 1 231.343 1.828 20 0 BDADMP CC(C)COCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261545685 135150066 /nfs/dbraw/zinc/15/00/66/135150066.db2.gz GIKRLPGKNDXYEP-UHFFFAOYSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](C[C@@H]1CCSC1)[C@H]1CCC[NH2+]CC1 ZINC000261529472 135155685 /nfs/dbraw/zinc/15/56/85/135155685.db2.gz AULVOYLFWMYDLB-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261529845 135156659 /nfs/dbraw/zinc/15/66/59/135156659.db2.gz BNRHRYUUIPFQOH-RKDXNWHRSA-N 2 1 222.254 1.480 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261529845 135156660 /nfs/dbraw/zinc/15/66/60/135156660.db2.gz BNRHRYUUIPFQOH-RKDXNWHRSA-N 2 1 222.254 1.480 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000261530263 135157147 /nfs/dbraw/zinc/15/71/47/135157147.db2.gz CDCPFULDZKEZAO-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261530959 135159423 /nfs/dbraw/zinc/15/94/23/135159423.db2.gz DQZMEJYTCNNYNW-NWDGAFQWSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(O)c1 ZINC000261531673 135161010 /nfs/dbraw/zinc/16/10/10/135161010.db2.gz HLQAGKZNDZTORA-SECBINFHSA-N 2 1 208.305 1.780 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261532136 135162250 /nfs/dbraw/zinc/16/22/50/135162250.db2.gz JHCGBMNTONWLLS-WOPDTQHZSA-N 2 1 212.337 1.082 20 0 BDADMP CC(C)[N@@H+](CCOCC[NH3+])C1CCCC1 ZINC000261532820 135163018 /nfs/dbraw/zinc/16/30/18/135163018.db2.gz KGVGTLBVLUNGDB-UHFFFAOYSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000261534095 135165616 /nfs/dbraw/zinc/16/56/16/135165616.db2.gz MZCIHUVLXBCLKW-NTZNESFSSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000261534095 135165618 /nfs/dbraw/zinc/16/56/18/135165618.db2.gz MZCIHUVLXBCLKW-NTZNESFSSA-N 2 1 225.380 1.186 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000261533791 135165787 /nfs/dbraw/zinc/16/57/87/135165787.db2.gz LESRRZMLUOCCKF-JHJVBQTASA-N 2 1 208.349 1.846 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000261534100 135165933 /nfs/dbraw/zinc/16/59/33/135165933.db2.gz NBDJCEAGCSTTJY-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000261535430 135169911 /nfs/dbraw/zinc/16/99/11/135169911.db2.gz YTTYXAJJWPTPPX-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000261535701 135170227 /nfs/dbraw/zinc/17/02/27/135170227.db2.gz PCDQAZNZUQFFBE-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000261536323 135171416 /nfs/dbraw/zinc/17/14/16/135171416.db2.gz RGMJTHMAGCYOIY-SDDRHHMPSA-N 2 1 208.349 1.846 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000261539967 135178956 /nfs/dbraw/zinc/17/89/56/135178956.db2.gz CVHGVEFHNFIGBR-IHRRRGAJSA-N 2 1 241.423 1.824 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000261540306 135179190 /nfs/dbraw/zinc/17/91/90/135179190.db2.gz FVYIOZKBMGZLHN-GXTWGEPZSA-N 2 1 239.407 1.578 20 0 BDADMP CCN(CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000261540306 135179191 /nfs/dbraw/zinc/17/91/91/135179191.db2.gz FVYIOZKBMGZLHN-GXTWGEPZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000261540355 135179251 /nfs/dbraw/zinc/17/92/51/135179251.db2.gz GFRGGDJNIFQADD-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261540427 135179411 /nfs/dbraw/zinc/17/94/11/135179411.db2.gz ADFMASSMHUHMNF-GJZGRUSLSA-N 2 1 230.355 1.913 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261540428 135179569 /nfs/dbraw/zinc/17/95/69/135179569.db2.gz ADFMASSMHUHMNF-HUUCEWRRSA-N 2 1 230.355 1.913 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000261540817 135180090 /nfs/dbraw/zinc/18/00/90/135180090.db2.gz FHHOLLNZXRDQSG-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H](NCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261543718 135184558 /nfs/dbraw/zinc/18/45/58/135184558.db2.gz HZMMPLXADWNISX-UKRRQHHQSA-N 2 1 247.386 1.445 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC2(CCC2)C1 ZINC000261548368 135187075 /nfs/dbraw/zinc/18/70/75/135187075.db2.gz NPGRNZWZOPSFMY-LBPRGKRZSA-N 2 1 208.349 1.862 20 0 BDADMP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000261549022 135187280 /nfs/dbraw/zinc/18/72/80/135187280.db2.gz KDHIASSEWPTDNB-STQMWFEESA-N 2 1 236.363 1.251 20 0 BDADMP CC(C)C[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000261548685 135187619 /nfs/dbraw/zinc/18/76/19/135187619.db2.gz NVSWNBMXXKJSDX-LBPRGKRZSA-N 2 1 214.353 1.330 20 0 BDADMP Cc1ncsc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000084149508 135188501 /nfs/dbraw/zinc/18/85/01/135188501.db2.gz ZQGYPLSZBBTUPL-JTQLQIEISA-N 2 1 225.361 1.622 20 0 BDADMP Cc1ncsc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000084149508 135188503 /nfs/dbraw/zinc/18/85/03/135188503.db2.gz ZQGYPLSZBBTUPL-JTQLQIEISA-N 2 1 225.361 1.622 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261550996 135190028 /nfs/dbraw/zinc/19/00/28/135190028.db2.gz LSHQQAOYGRXRNI-AVGNSLFASA-N 2 1 234.347 1.072 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000261551049 135190060 /nfs/dbraw/zinc/19/00/60/135190060.db2.gz RRIPKSXMBPKJLA-CMPLNLGQSA-N 2 1 249.358 1.486 20 0 BDADMP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261550857 135190355 /nfs/dbraw/zinc/19/03/55/135190355.db2.gz RIZOQUJSELHVMN-IHRRRGAJSA-N 2 1 248.374 1.022 20 0 BDADMP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261550859 135190442 /nfs/dbraw/zinc/19/04/42/135190442.db2.gz RIZOQUJSELHVMN-MELADBBJSA-N 2 1 248.374 1.022 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550998 135190506 /nfs/dbraw/zinc/19/05/06/135190506.db2.gz LSHQQAOYGRXRNI-XQQFMLRXSA-N 2 1 234.347 1.072 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261554639 135194470 /nfs/dbraw/zinc/19/44/70/135194470.db2.gz BAAHUFOLXLNSFE-QJPTWQEYSA-N 2 1 247.342 1.265 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557794 135198343 /nfs/dbraw/zinc/19/83/43/135198343.db2.gz SBRUGBYNWDLMOC-UONOGXRCSA-N 2 1 231.343 1.165 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000261558207 135198734 /nfs/dbraw/zinc/19/87/34/135198734.db2.gz CZMBIXKLBILUPF-VHDGCEQUSA-N 2 1 246.354 1.735 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]12 ZINC000261561490 135202813 /nfs/dbraw/zinc/20/28/13/135202813.db2.gz APOBXWBPDQGEBP-RAIGVLPGSA-N 2 1 217.316 1.251 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261561527 135202883 /nfs/dbraw/zinc/20/28/83/135202883.db2.gz ARQUXYVKWVMLAX-NEPJUHHUSA-N 2 1 217.316 1.436 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261561236 135202930 /nfs/dbraw/zinc/20/29/30/135202930.db2.gz ANEJQRARWDNMBO-FHUSYTEZSA-N 2 1 208.349 1.702 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261565227 135206864 /nfs/dbraw/zinc/20/68/64/135206864.db2.gz CYNXXJPPPIUAFA-ZJUUUORDSA-N 2 1 237.734 1.781 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261568148 135210481 /nfs/dbraw/zinc/21/04/81/135210481.db2.gz FJQNHRQEUDVLNS-MWLCHTKSSA-N 2 1 237.734 1.923 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccccn1 ZINC000261572373 135214030 /nfs/dbraw/zinc/21/40/30/135214030.db2.gz IBFDHMLBJFPZKU-GFCCVEGCSA-N 2 1 219.332 1.559 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccnc1 ZINC000261572048 135214068 /nfs/dbraw/zinc/21/40/68/135214068.db2.gz IAGHMSNTHYMRFZ-GFCCVEGCSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000261572137 135214258 /nfs/dbraw/zinc/21/42/58/135214258.db2.gz LLYCVZGOOMFUSF-AWEZNQCLSA-N 2 1 247.342 1.281 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000261572137 135214260 /nfs/dbraw/zinc/21/42/60/135214260.db2.gz LLYCVZGOOMFUSF-AWEZNQCLSA-N 2 1 247.342 1.281 20 0 BDADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC000261572422 135215091 /nfs/dbraw/zinc/21/50/91/135215091.db2.gz IDRJXIZKARYKNU-GFCCVEGCSA-N 2 1 226.364 1.079 20 0 BDADMP CCc1nc(N2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000261573075 135215311 /nfs/dbraw/zinc/21/53/11/135215311.db2.gz ILYALMJTADBJSI-JTQLQIEISA-N 2 1 220.320 1.275 20 0 BDADMP C[C@@H](O)C[N@H+](C[C@H](C)[NH3+])C1CCCCC1 ZINC000261580070 135220971 /nfs/dbraw/zinc/22/09/71/135220971.db2.gz MQHNJQGFDBSRBT-WDEREUQCSA-N 2 1 214.353 1.349 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261580659 135221526 /nfs/dbraw/zinc/22/15/26/135221526.db2.gz NBIQFEDYPOCWMC-JQWIXIFHSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC[NH3+] ZINC000261582063 135222305 /nfs/dbraw/zinc/22/23/05/135222305.db2.gz OBJHDRCSEFLTOG-OCCSQVGLSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC[NH3+] ZINC000261582063 135222307 /nfs/dbraw/zinc/22/23/07/135222307.db2.gz OBJHDRCSEFLTOG-OCCSQVGLSA-N 2 1 218.344 1.898 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261587930 135228345 /nfs/dbraw/zinc/22/83/45/135228345.db2.gz RYUNGSWYDMZDAM-ZYHUDNBSSA-N 2 1 219.332 1.559 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1O ZINC000261589400 135229995 /nfs/dbraw/zinc/22/99/95/135229995.db2.gz TXSJBVKHDCIDHU-RYUDHWBXSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261591162 135232128 /nfs/dbraw/zinc/23/21/28/135232128.db2.gz VCQZCABLUQSLFG-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)OCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261593406 135233474 /nfs/dbraw/zinc/23/34/74/135233474.db2.gz WUFXBDONLJQVMW-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]12 ZINC000261595252 135235347 /nfs/dbraw/zinc/23/53/47/135235347.db2.gz XZORXWRVIICXJB-FRRDWIJNSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@H]1CSCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261547013 135239179 /nfs/dbraw/zinc/23/91/79/135239179.db2.gz LOERQXDSPGWNMX-VXGBXAGGSA-N 2 1 228.405 1.671 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261546999 135239597 /nfs/dbraw/zinc/23/95/97/135239597.db2.gz HQMYNTOTQNIQTD-CHWSQXEVSA-N 2 1 231.343 1.574 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261546999 135239598 /nfs/dbraw/zinc/23/95/98/135239598.db2.gz HQMYNTOTQNIQTD-CHWSQXEVSA-N 2 1 231.343 1.574 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261684117 135245654 /nfs/dbraw/zinc/24/56/54/135245654.db2.gz AFCQOLYDOUUFKG-ZIAGYGMSSA-N 2 1 240.391 1.471 20 0 BDADMP C[C@@H](CNC1=[NH+]CCCN1)[N@H+]1CCC[C@H](C)C1 ZINC000261699474 135246969 /nfs/dbraw/zinc/24/69/69/135246969.db2.gz CJMWWFSCWRTOFE-RYUDHWBXSA-N 2 1 238.379 1.046 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000261747088 135250049 /nfs/dbraw/zinc/25/00/49/135250049.db2.gz PTWQSHIZSGVWKM-CQSZACIVSA-N 2 1 244.342 1.734 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261768584 135251737 /nfs/dbraw/zinc/25/17/37/135251737.db2.gz DOATVVOPULFCJT-MBNYWOFBSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261768584 135251739 /nfs/dbraw/zinc/25/17/39/135251739.db2.gz DOATVVOPULFCJT-MBNYWOFBSA-N 2 1 238.375 1.485 20 0 BDADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1C ZINC000261766630 135251946 /nfs/dbraw/zinc/25/19/46/135251946.db2.gz DKMOYJONVXRUGQ-ZDUSSCGKSA-N 2 1 234.343 1.784 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261796110 135253314 /nfs/dbraw/zinc/25/33/14/135253314.db2.gz GPHJXQAIDFGZEA-RYUDHWBXSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261796110 135253315 /nfs/dbraw/zinc/25/33/15/135253315.db2.gz GPHJXQAIDFGZEA-RYUDHWBXSA-N 2 1 236.363 1.633 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261831531 135255978 /nfs/dbraw/zinc/25/59/78/135255978.db2.gz JBZSZPIBHHNCMD-STQMWFEESA-N 2 1 226.364 1.474 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000261833771 135256017 /nfs/dbraw/zinc/25/60/17/135256017.db2.gz JIIBOUWMLFHXBU-HZSPNIEDSA-N 2 1 238.375 1.344 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261831525 135256103 /nfs/dbraw/zinc/25/61/03/135256103.db2.gz JBZSZPIBHHNCMD-OLZOCXBDSA-N 2 1 226.364 1.474 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261831527 135256348 /nfs/dbraw/zinc/25/63/48/135256348.db2.gz JBZSZPIBHHNCMD-QWHCGFSZSA-N 2 1 226.364 1.474 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261924114 135263423 /nfs/dbraw/zinc/26/34/23/135263423.db2.gz KVNUDUZBKXXIQD-LBPRGKRZSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261924114 135263424 /nfs/dbraw/zinc/26/34/24/135263424.db2.gz KVNUDUZBKXXIQD-LBPRGKRZSA-N 2 1 236.363 1.635 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC000261963894 135266955 /nfs/dbraw/zinc/26/69/55/135266955.db2.gz POUUNOZTGIHLSF-AAVRWANBSA-N 2 1 238.375 1.472 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261970204 135268036 /nfs/dbraw/zinc/26/80/36/135268036.db2.gz QGHKHBFPSHSYNK-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCC[NH2+]C1 ZINC000079047923 135268102 /nfs/dbraw/zinc/26/81/02/135268102.db2.gz CJIIPZUIOFVLGM-LLVKDONJSA-N 2 1 244.342 1.985 20 0 BDADMP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CC1(F)F ZINC000261981006 135268540 /nfs/dbraw/zinc/26/85/40/135268540.db2.gz RHTIFVLYBHBHEP-JTQLQIEISA-N 2 1 232.318 1.963 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC1(F)F ZINC000261981006 135268542 /nfs/dbraw/zinc/26/85/42/135268542.db2.gz RHTIFVLYBHBHEP-JTQLQIEISA-N 2 1 232.318 1.963 20 0 BDADMP COCC(C)(C)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262005048 135271147 /nfs/dbraw/zinc/27/11/47/135271147.db2.gz UMALFYGMKNYJFM-LBPRGKRZSA-N 2 1 228.380 1.720 20 0 BDADMP c1cn(C[C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cn1 ZINC000262002302 135271199 /nfs/dbraw/zinc/27/11/99/135271199.db2.gz UGQDLOFYCIZSKO-AWEZNQCLSA-N 2 1 248.374 1.347 20 0 BDADMP CCN1C[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000262013576 135272913 /nfs/dbraw/zinc/27/29/13/135272913.db2.gz VHMLGCFIEVJKKG-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)(C)[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000262103337 135278664 /nfs/dbraw/zinc/27/86/64/135278664.db2.gz VTISRPHXWDVRPG-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000262103337 135278665 /nfs/dbraw/zinc/27/86/65/135278665.db2.gz VTISRPHXWDVRPG-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cnc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)n1C ZINC000342779096 135317707 /nfs/dbraw/zinc/31/77/07/135317707.db2.gz OLPGLMBUTMRGEA-CHWSQXEVSA-N 2 1 248.374 1.255 20 0 BDADMP NC(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000262790076 135318420 /nfs/dbraw/zinc/31/84/20/135318420.db2.gz KKZFOIIRNXRUMJ-LLVKDONJSA-N 2 1 224.352 1.267 20 0 BDADMP Cc1nocc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334303807 135347516 /nfs/dbraw/zinc/34/75/16/135347516.db2.gz BVOLHCAVYAXYNH-AWEZNQCLSA-N 2 1 249.358 1.901 20 0 BDADMP Cc1cn[nH]c1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334333469 135361344 /nfs/dbraw/zinc/36/13/44/135361344.db2.gz UNNXPVJXYPWHNZ-AWEZNQCLSA-N 2 1 248.374 1.636 20 0 BDADMP CO[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000299908409 135381941 /nfs/dbraw/zinc/38/19/41/135381941.db2.gz JNIGNSLGELRHJN-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000299908409 135381943 /nfs/dbraw/zinc/38/19/43/135381943.db2.gz JNIGNSLGELRHJN-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCSC1 ZINC000299962797 135383123 /nfs/dbraw/zinc/38/31/23/135383123.db2.gz GXEOXROYBYBUKJ-WYUUTHIRSA-N 2 1 228.405 1.810 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000334398444 135388331 /nfs/dbraw/zinc/38/83/31/135388331.db2.gz LXZQCPVHBGGGOY-DZGCQCFKSA-N 2 1 245.370 1.916 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1(C)COC1 ZINC000079472574 135397506 /nfs/dbraw/zinc/39/75/06/135397506.db2.gz ZOQFQFGHHSPXES-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cc(NCC(F)(F)C[NH3+])cc[nH+]1 ZINC000164931461 135452256 /nfs/dbraw/zinc/45/22/56/135452256.db2.gz JYRRJNNWDCYHCQ-UHFFFAOYSA-N 2 1 201.220 1.396 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000346745553 135967991 /nfs/dbraw/zinc/96/79/91/135967991.db2.gz GDFAJIXOMQCULF-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+](CCc1nccs1)C[C@H]1CCC[NH2+]C1 ZINC000346993109 135988180 /nfs/dbraw/zinc/98/81/80/135988180.db2.gz UNEIAIJJKCDEMO-NSHDSACASA-N 2 1 239.388 1.617 20 0 BDADMP Oc1cccnc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347883700 136014672 /nfs/dbraw/zinc/01/46/72/136014672.db2.gz VIXKYRVEYUCOIZ-RYUDHWBXSA-N 2 1 247.342 1.504 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C(C)C)[C@H](C)C1 ZINC000348270740 136059013 /nfs/dbraw/zinc/05/90/13/136059013.db2.gz HTOZOMDPEONFDZ-RDBSUJKOSA-N 2 1 242.407 1.571 20 0 BDADMP CC1(C[NH2+][C@@H]2CCCCC[C@@H]2N)CC[NH2+]CC1 ZINC000335567218 136107964 /nfs/dbraw/zinc/10/79/64/136107964.db2.gz DUIIJKAFIHLXCX-QWHCGFSZSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCNCC2(C)C)CC[NH2+]1 ZINC000647500455 397759064 /nfs/dbraw/zinc/75/90/64/397759064.db2.gz REZZGEPYLHOBCZ-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@@H](CN2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000647500455 397759066 /nfs/dbraw/zinc/75/90/66/397759066.db2.gz REZZGEPYLHOBCZ-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CCC(n2ccnc2)CC1 ZINC000649548861 397943957 /nfs/dbraw/zinc/94/39/57/397943957.db2.gz KHJAEGOFPFRDNY-CQSZACIVSA-N 2 1 248.374 1.614 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000390556398 397895882 /nfs/dbraw/zinc/89/58/82/397895882.db2.gz QPJIICAKESBATH-UTUOFQBUSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000390556398 397895884 /nfs/dbraw/zinc/89/58/84/397895884.db2.gz QPJIICAKESBATH-UTUOFQBUSA-N 2 1 226.389 1.423 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000645944875 398005406 /nfs/dbraw/zinc/00/54/06/398005406.db2.gz SEMUQZMPVZWNTN-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)O[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000645944875 398005410 /nfs/dbraw/zinc/00/54/10/398005410.db2.gz SEMUQZMPVZWNTN-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)O[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000645944875 398005414 /nfs/dbraw/zinc/00/54/14/398005414.db2.gz SEMUQZMPVZWNTN-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000414659251 398008564 /nfs/dbraw/zinc/00/85/64/398008564.db2.gz KVMNBWHWMWJSFI-YVECIDJPSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[NH2+][C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000414659251 398008567 /nfs/dbraw/zinc/00/85/67/398008567.db2.gz KVMNBWHWMWJSFI-YVECIDJPSA-N 2 1 225.380 1.057 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414823288 398047102 /nfs/dbraw/zinc/04/71/02/398047102.db2.gz IBOAARVKQVORGF-LBPRGKRZSA-N 2 1 234.343 1.362 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000382764334 397972523 /nfs/dbraw/zinc/97/25/23/397972523.db2.gz SHVOXUGOPMZQPF-MFKMUULPSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000382764334 397972525 /nfs/dbraw/zinc/97/25/25/397972525.db2.gz SHVOXUGOPMZQPF-MFKMUULPSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000382803272 397979739 /nfs/dbraw/zinc/97/97/39/397979739.db2.gz ZUICDZAXBZOTGS-ZDUSSCGKSA-N 2 1 238.331 1.597 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000382803272 397979742 /nfs/dbraw/zinc/97/97/42/397979742.db2.gz ZUICDZAXBZOTGS-ZDUSSCGKSA-N 2 1 238.331 1.597 20 0 BDADMP C[N@@H+](CCOCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000384000283 398055567 /nfs/dbraw/zinc/05/55/67/398055567.db2.gz DOHINBAZCHRISM-HNNXBMFYSA-N 2 1 248.370 1.745 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000397914909 398124331 /nfs/dbraw/zinc/12/43/31/398124331.db2.gz JPRGHKLWYNCJAK-VHSXEESVSA-N 2 1 209.293 1.343 20 0 BDADMP Cc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1-n1cncn1 ZINC000414948362 398122746 /nfs/dbraw/zinc/12/27/46/398122746.db2.gz XHKWBOLMIJCRRZ-NSHDSACASA-N 2 1 245.330 1.013 20 0 BDADMP CC(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000036950504 167111499 /nfs/dbraw/zinc/11/14/99/167111499.db2.gz HGKOSHFMJCERKV-CQSZACIVSA-N 2 1 236.359 1.477 20 0 BDADMP CC(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000036950504 167111501 /nfs/dbraw/zinc/11/15/01/167111501.db2.gz HGKOSHFMJCERKV-CQSZACIVSA-N 2 1 236.359 1.477 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662276259 487529614 /nfs/dbraw/zinc/52/96/14/487529614.db2.gz IHFOQFKNFHNAMY-USZNOCQGSA-N 2 1 210.365 1.996 20 0 BDADMP C[N@H+]1CCN(CCC[NH3+])c2ccccc2C1 ZINC000334852433 487573705 /nfs/dbraw/zinc/57/37/05/487573705.db2.gz DJASVQKJIYHIMD-UHFFFAOYSA-N 2 1 219.332 1.287 20 0 BDADMP Cc1cn[nH]c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000334848334 487573815 /nfs/dbraw/zinc/57/38/15/487573815.db2.gz RIAGGFFGXOCCOP-ZJUUUORDSA-N 2 1 208.309 1.078 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000334848334 487573823 /nfs/dbraw/zinc/57/38/23/487573823.db2.gz RIAGGFFGXOCCOP-ZJUUUORDSA-N 2 1 208.309 1.078 20 0 BDADMP CC(C)OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123304911 167228046 /nfs/dbraw/zinc/22/80/46/167228046.db2.gz BOSUFESBIKJLFU-CHWSQXEVSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123304911 167228048 /nfs/dbraw/zinc/22/80/48/167228048.db2.gz BOSUFESBIKJLFU-CHWSQXEVSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123304911 167228051 /nfs/dbraw/zinc/22/80/51/167228051.db2.gz BOSUFESBIKJLFU-CHWSQXEVSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123304911 167228053 /nfs/dbraw/zinc/22/80/53/167228053.db2.gz BOSUFESBIKJLFU-CHWSQXEVSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123305317 167230024 /nfs/dbraw/zinc/23/00/24/167230024.db2.gz BOSUFESBIKJLFU-OLZOCXBDSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123305317 167230025 /nfs/dbraw/zinc/23/00/25/167230025.db2.gz BOSUFESBIKJLFU-OLZOCXBDSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123305317 167230027 /nfs/dbraw/zinc/23/00/27/167230027.db2.gz BOSUFESBIKJLFU-OLZOCXBDSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123305317 167230029 /nfs/dbraw/zinc/23/00/29/167230029.db2.gz BOSUFESBIKJLFU-OLZOCXBDSA-N 2 1 228.380 1.826 20 0 BDADMP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250592919 167232239 /nfs/dbraw/zinc/23/22/39/167232239.db2.gz VUIGMVWZMCOGJA-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250592919 167232241 /nfs/dbraw/zinc/23/22/41/167232241.db2.gz VUIGMVWZMCOGJA-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336732794 167257641 /nfs/dbraw/zinc/25/76/41/167257641.db2.gz GEFNQHVLEVXUPE-FRRDWIJNSA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336732794 167257643 /nfs/dbraw/zinc/25/76/43/167257643.db2.gz GEFNQHVLEVXUPE-FRRDWIJNSA-N 2 1 228.380 1.872 20 0 BDADMP C(C[C@H]1CCCO1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310290849 487588807 /nfs/dbraw/zinc/58/88/07/487588807.db2.gz RMSAFADECNHAJW-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3(F)CC3)CC[C@H]21 ZINC000526972918 487608204 /nfs/dbraw/zinc/60/82/04/487608204.db2.gz ZIAPGZDAFPTZNS-NWDGAFQWSA-N 2 1 226.339 1.905 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(F)CC3)CC[C@H]21 ZINC000526972918 487608206 /nfs/dbraw/zinc/60/82/06/487608206.db2.gz ZIAPGZDAFPTZNS-NWDGAFQWSA-N 2 1 226.339 1.905 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(F)CC3)CC[C@H]21 ZINC000526972918 487608209 /nfs/dbraw/zinc/60/82/09/487608209.db2.gz ZIAPGZDAFPTZNS-NWDGAFQWSA-N 2 1 226.339 1.905 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(F)CC3)CC[C@H]21 ZINC000526972918 487608212 /nfs/dbraw/zinc/60/82/12/487608212.db2.gz ZIAPGZDAFPTZNS-NWDGAFQWSA-N 2 1 226.339 1.905 20 0 BDADMP CCc1nocc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000662264769 409559800 /nfs/dbraw/zinc/55/98/00/409559800.db2.gz LJNSIGFGKFOBQT-NXEZZACHSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000662264769 409559805 /nfs/dbraw/zinc/55/98/05/409559805.db2.gz LJNSIGFGKFOBQT-NXEZZACHSA-N 2 1 223.320 1.406 20 0 BDADMP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662244409 409539222 /nfs/dbraw/zinc/53/92/22/409539222.db2.gz NWKSBUAGGPOBJY-UTLUCORTSA-N 2 1 234.290 1.080 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662244409 409539229 /nfs/dbraw/zinc/53/92/29/409539229.db2.gz NWKSBUAGGPOBJY-UTLUCORTSA-N 2 1 234.290 1.080 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251666 409548285 /nfs/dbraw/zinc/54/82/85/409548285.db2.gz DGVMTWQGCAXHSW-NEPJUHHUSA-N 2 1 224.348 1.382 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1=CCCOC1 ZINC000662304912 409628227 /nfs/dbraw/zinc/62/82/27/409628227.db2.gz DHTSZEQDSHFBLC-CYBMUJFWSA-N 2 1 238.375 1.655 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662273190 409581482 /nfs/dbraw/zinc/58/14/82/409581482.db2.gz MKUHWSDEEAQJRN-ZJUUUORDSA-N 2 1 234.290 1.081 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662273190 409581491 /nfs/dbraw/zinc/58/14/91/409581491.db2.gz MKUHWSDEEAQJRN-ZJUUUORDSA-N 2 1 234.290 1.081 20 0 BDADMP C1=CCC(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662276422 409591480 /nfs/dbraw/zinc/59/14/80/409591480.db2.gz MMAWBWSWTWUAAM-QWHCGFSZSA-N 2 1 206.333 1.636 20 0 BDADMP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000309037738 410205930 /nfs/dbraw/zinc/20/59/30/410205930.db2.gz HISYZUIGTQTHDT-RYUDHWBXSA-N 2 1 222.357 1.708 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnccc1C ZINC000162770869 487614618 /nfs/dbraw/zinc/61/46/18/487614618.db2.gz ZOUDNPOCGHILHP-UHFFFAOYSA-N 2 1 230.315 1.685 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000650709371 410340756 /nfs/dbraw/zinc/34/07/56/410340756.db2.gz WPUIXXVVFOLEOH-IHRRRGAJSA-N 3 1 237.391 1.047 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]1CCC[NH2+]C1)C2 ZINC000650709371 410340762 /nfs/dbraw/zinc/34/07/62/410340762.db2.gz WPUIXXVVFOLEOH-IHRRRGAJSA-N 2 1 237.391 1.047 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@H](C)CO)CC1 ZINC000650714780 410348496 /nfs/dbraw/zinc/34/84/96/410348496.db2.gz BNXQJFWYKVDETP-OCCSQVGLSA-N 2 1 242.407 1.700 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000650739961 410372704 /nfs/dbraw/zinc/37/27/04/410372704.db2.gz CQNXRJFCWNLSTL-KGLIPLIRSA-N 2 1 241.423 1.694 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000650756298 410401808 /nfs/dbraw/zinc/40/18/08/410401808.db2.gz YXKJWQCAYLSNFA-KBPBESRZSA-N 3 1 233.359 1.375 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761552 410410443 /nfs/dbraw/zinc/41/04/43/410410443.db2.gz CCTNHXWCBYNPSN-KGLIPLIRSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000650763924 410414711 /nfs/dbraw/zinc/41/47/11/410414711.db2.gz MHEFBVQRRGAGIU-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)CCN1C ZINC000650763924 410414717 /nfs/dbraw/zinc/41/47/17/410414717.db2.gz MHEFBVQRRGAGIU-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](CCNc1[nH+]cnc2[nH]ccc21)[NH+](C)C ZINC000664242995 410526438 /nfs/dbraw/zinc/52/64/38/410526438.db2.gz GPYUSZTUUUSTMQ-VIFPVBQESA-N 2 1 233.319 1.662 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309291095 410746182 /nfs/dbraw/zinc/74/61/82/410746182.db2.gz VTIQGBDPMSYOGY-OLZOCXBDSA-N 2 1 230.396 1.664 20 0 BDADMP CC(C)[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309291095 410746187 /nfs/dbraw/zinc/74/61/87/410746187.db2.gz VTIQGBDPMSYOGY-OLZOCXBDSA-N 2 1 230.396 1.664 20 0 BDADMP CC(C)[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309291095 410746191 /nfs/dbraw/zinc/74/61/91/410746191.db2.gz VTIQGBDPMSYOGY-OLZOCXBDSA-N 2 1 230.396 1.664 20 0 BDADMP C[C@H]([NH2+]CCc1ccoc1)[C@@H]1CCC[NH2+]1 ZINC000665262142 410736267 /nfs/dbraw/zinc/73/62/67/410736267.db2.gz VDCVYVIIBOEEOE-JQWIXIFHSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nccn1C ZINC000665283012 410763154 /nfs/dbraw/zinc/76/31/54/410763154.db2.gz GCNPMAFEOCQHBV-GARJFASQSA-N 2 1 222.336 1.341 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000393837404 410764492 /nfs/dbraw/zinc/76/44/92/410764492.db2.gz RGNLSSSEBVJGID-MCIONIFRSA-N 2 1 242.407 1.856 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000665297374 410814468 /nfs/dbraw/zinc/81/44/68/410814468.db2.gz DVQLEPDPSPYPTC-QWHCGFSZSA-N 2 1 235.375 1.990 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](COC)C1CCCC1 ZINC000665298581 410831340 /nfs/dbraw/zinc/83/13/40/410831340.db2.gz YMQZGIUNQKEKJF-JQWIXIFHSA-N 2 1 214.353 1.389 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CC2(C)COC2)CC1 ZINC000336696895 167094893 /nfs/dbraw/zinc/09/48/93/167094893.db2.gz HQGABRLCLSHUND-UHFFFAOYSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000309420019 167215141 /nfs/dbraw/zinc/21/51/41/167215141.db2.gz JTCCATGKWTULIJ-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000336752057 167215742 /nfs/dbraw/zinc/21/57/42/167215742.db2.gz VKHUYGWISAEVCZ-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074910 167233997 /nfs/dbraw/zinc/23/39/97/167233997.db2.gz BMIQDNYLZYSYMO-WDEREUQCSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104138843 167382174 /nfs/dbraw/zinc/38/21/74/167382174.db2.gz QFGCXQSITLOXTJ-CYBMUJFWSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000310349927 167399645 /nfs/dbraw/zinc/39/96/45/167399645.db2.gz GVZMQFJWDZTELR-UONOGXRCSA-N 3 1 241.423 1.824 20 0 BDADMP Cc1cc(NCCC[N@H+](C)CC(C)C)ncn1 ZINC000651363718 410953427 /nfs/dbraw/zinc/95/34/27/410953427.db2.gz GGNJARZIHAZRQG-UHFFFAOYSA-N 2 1 236.363 1.597 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000300887254 411127920 /nfs/dbraw/zinc/12/79/20/411127920.db2.gz JMDMHBPPDMDZIC-XQQFMLRXSA-N 2 1 228.380 1.717 20 0 BDADMP CC(C)C[C@H](C)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000300887254 411127922 /nfs/dbraw/zinc/12/79/22/411127922.db2.gz JMDMHBPPDMDZIC-XQQFMLRXSA-N 2 1 228.380 1.717 20 0 BDADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000107786884 411139184 /nfs/dbraw/zinc/13/91/84/411139184.db2.gz ZEELXLCTAUWKDY-UWVGGRQHSA-N 2 1 208.305 1.693 20 0 BDADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000651762880 411142334 /nfs/dbraw/zinc/14/23/34/411142334.db2.gz VGIMCMWGDQSGPL-BFHYXJOUSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000651762880 411142335 /nfs/dbraw/zinc/14/23/35/411142335.db2.gz VGIMCMWGDQSGPL-BFHYXJOUSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000400675935 411159064 /nfs/dbraw/zinc/15/90/64/411159064.db2.gz UZWHSHJJBILITO-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)[NH2+][C@H]1CCCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000300691286 411125130 /nfs/dbraw/zinc/12/51/30/411125130.db2.gz SBBPJDVSPAYOAG-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP Cc1[nH]ncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401115929 411176145 /nfs/dbraw/zinc/17/61/45/411176145.db2.gz IJGFHZPTHQASHW-DMDPSCGWSA-N 2 1 234.347 1.196 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C[C@@H](C)O)C1CC1 ZINC000656195076 411200595 /nfs/dbraw/zinc/20/05/95/411200595.db2.gz YOTITHYAPPQMAK-MNOVXSKESA-N 2 1 214.353 1.205 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000656195076 411200597 /nfs/dbraw/zinc/20/05/97/411200597.db2.gz YOTITHYAPPQMAK-MNOVXSKESA-N 2 1 214.353 1.205 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000656193304 411200871 /nfs/dbraw/zinc/20/08/71/411200871.db2.gz FKXNKXBVLAPIMM-SCRDCRAPSA-N 2 1 233.359 1.600 20 0 BDADMP COCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000656200019 411205057 /nfs/dbraw/zinc/20/50/57/411205057.db2.gz IJVHIZPPNUNCQR-MNOVXSKESA-N 2 1 212.337 1.001 20 0 BDADMP CC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345543 411209226 /nfs/dbraw/zinc/20/92/26/411209226.db2.gz DVFOUTUUEUAMCP-SRVKXCTJSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351896 411211785 /nfs/dbraw/zinc/21/17/85/411211785.db2.gz FZZGKERQKSNVAM-KBPBESRZSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000653902541 411217921 /nfs/dbraw/zinc/21/79/21/411217921.db2.gz VYKLAABVVIHJGR-RYUDHWBXSA-N 2 1 226.364 1.316 20 0 BDADMP COC[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000658082032 411233193 /nfs/dbraw/zinc/23/31/93/411233193.db2.gz FZAKDFGLNPDSPD-AGIUHOORSA-N 2 1 244.379 1.110 20 0 BDADMP COC[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000658082033 411233347 /nfs/dbraw/zinc/23/33/47/411233347.db2.gz FZAKDFGLNPDSPD-AVGNSLFASA-N 2 1 244.379 1.110 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422976202 411234605 /nfs/dbraw/zinc/23/46/05/411234605.db2.gz IBKPEEDPPVZVBF-QLFBSQMISA-N 2 1 248.370 1.970 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423173552 411235917 /nfs/dbraw/zinc/23/59/17/411235917.db2.gz ZDKHFHQPVKFAJX-QWHCGFSZSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423173369 411236514 /nfs/dbraw/zinc/23/65/14/411236514.db2.gz YEEMYKQECSWNLP-ZIAGYGMSSA-N 3 1 241.423 1.825 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CS1 ZINC000423193713 411237971 /nfs/dbraw/zinc/23/79/71/411237971.db2.gz WAPVBHUOJWNMPU-VLEAKVRGSA-N 2 1 214.378 1.468 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423326866 411238609 /nfs/dbraw/zinc/23/86/09/411238609.db2.gz NBAYICIRJNMHSG-ZJUUUORDSA-N 2 1 208.305 1.177 20 0 BDADMP CC(C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138415 411263559 /nfs/dbraw/zinc/26/35/59/411263559.db2.gz MYIAUHSAVPGQEJ-OAHLLOKOSA-N 2 1 248.370 1.751 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402606141 411272743 /nfs/dbraw/zinc/27/27/43/411272743.db2.gz ULYMXMXAHZFFPI-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000401659781 411274128 /nfs/dbraw/zinc/27/41/28/411274128.db2.gz WYUWDEBFKHJXMG-GXTWGEPZSA-N 2 1 248.370 1.825 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2(CO)CC2)[C@H](C)C1 ZINC000658162420 411275847 /nfs/dbraw/zinc/27/58/47/411275847.db2.gz XJOFKCQGLSRNEP-UPJWGTAASA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402615145 411278928 /nfs/dbraw/zinc/27/89/28/411278928.db2.gz RELBGGXPHCCDBX-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)OC)[C@H](C)C1 ZINC000658170724 411280385 /nfs/dbraw/zinc/28/03/85/411280385.db2.gz MVYMPXPVNGPWEO-GRYCIOLGSA-N 2 1 214.353 1.341 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000051889718 411285644 /nfs/dbraw/zinc/28/56/44/411285644.db2.gz ZZXVLXXOIQHCBC-GFCCVEGCSA-N 2 1 214.353 1.200 20 0 BDADMP C[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000051889941 411285987 /nfs/dbraw/zinc/28/59/87/411285987.db2.gz BVDKEVOAACWOLO-JTQLQIEISA-N 2 1 210.346 1.789 20 0 BDADMP C[N@H+](Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000051889941 411285990 /nfs/dbraw/zinc/28/59/90/411285990.db2.gz BVDKEVOAACWOLO-JTQLQIEISA-N 2 1 210.346 1.789 20 0 BDADMP CC(C)[NH2+]C1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649559146 411290520 /nfs/dbraw/zinc/29/05/20/411290520.db2.gz ROQHUEWHQTUTMG-CQSZACIVSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2ccccc2)C1 ZINC000401710711 411299318 /nfs/dbraw/zinc/29/93/18/411299318.db2.gz VMGNNXIKVSYAPZ-TZMCWYRMSA-N 2 1 218.344 1.817 20 0 BDADMP CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H]1CCCOC1 ZINC000402727410 411310310 /nfs/dbraw/zinc/31/03/10/411310310.db2.gz ZTBTWJHDXFSOGJ-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H]1CCCOC1 ZINC000402727410 411310315 /nfs/dbraw/zinc/31/03/15/411310315.db2.gz ZTBTWJHDXFSOGJ-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCOC1 ZINC000402782051 411316475 /nfs/dbraw/zinc/31/64/75/411316475.db2.gz OAQHUHWXUPYEMW-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC2(C1)CCOCC2 ZINC000303392202 411317838 /nfs/dbraw/zinc/31/78/38/411317838.db2.gz WPIKFOVXOVNTRC-LBPRGKRZSA-N 2 1 224.348 1.098 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656700573 411325551 /nfs/dbraw/zinc/32/55/51/411325551.db2.gz XGDSRYBDASGVMP-OLZOCXBDSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656700573 411325554 /nfs/dbraw/zinc/32/55/54/411325554.db2.gz XGDSRYBDASGVMP-OLZOCXBDSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000656700573 411325556 /nfs/dbraw/zinc/32/55/56/411325556.db2.gz XGDSRYBDASGVMP-OLZOCXBDSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000656700573 411325560 /nfs/dbraw/zinc/32/55/60/411325560.db2.gz XGDSRYBDASGVMP-OLZOCXBDSA-N 2 1 228.380 1.418 20 0 BDADMP c1c([C@@H]2CCC[NH2+]C2)nnn1-c1cc[nH+]cc1 ZINC000656441076 411258765 /nfs/dbraw/zinc/25/87/65/411258765.db2.gz RXQOYGASVCIATG-SNVBAGLBSA-N 2 1 229.287 1.129 20 0 BDADMP Cc1[nH+]cc(CNc2[nH+]ccn2C)n1C ZINC000656776624 411357133 /nfs/dbraw/zinc/35/71/33/411357133.db2.gz LTLGDDYSPUPFLU-UHFFFAOYSA-N 2 1 205.265 1.074 20 0 BDADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403851458 411363241 /nfs/dbraw/zinc/36/32/41/411363241.db2.gz WRCSRLIGLWIKNJ-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]1C[N@H+](CCC[NH2+]C)[C@@H](CC)CO1 ZINC000403869455 411363370 /nfs/dbraw/zinc/36/33/70/411363370.db2.gz YGZWWMVVMFAGSJ-RYUDHWBXSA-N 2 1 214.353 1.485 20 0 BDADMP CC[C@H]1C[N@@H+](CCC[NH2+]C)[C@@H](CC)CO1 ZINC000403869455 411363372 /nfs/dbraw/zinc/36/33/72/411363372.db2.gz YGZWWMVVMFAGSJ-RYUDHWBXSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788146 411368001 /nfs/dbraw/zinc/36/80/01/411368001.db2.gz DUNHWJRAYHQMHC-UHFFFAOYSA-N 2 1 236.363 1.398 20 0 BDADMP C[C@H]1C[C@@H](C[NH2+]CC2(N)CCCC2)CC[NH2+]1 ZINC000656789524 411369124 /nfs/dbraw/zinc/36/91/24/411369124.db2.gz PMCTYUNWWFLVKX-RYUDHWBXSA-N 2 1 225.380 1.236 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000656711502 411336778 /nfs/dbraw/zinc/33/67/78/411336778.db2.gz STXQZEUCGSDJGG-QWRGUYRKSA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000656711502 411336784 /nfs/dbraw/zinc/33/67/84/411336784.db2.gz STXQZEUCGSDJGG-QWRGUYRKSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665081 411377157 /nfs/dbraw/zinc/37/71/57/411377157.db2.gz TZMVRWAJJYYAOP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](O)CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665081 411377159 /nfs/dbraw/zinc/37/71/59/411377159.db2.gz TZMVRWAJJYYAOP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](O)CCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665081 411377162 /nfs/dbraw/zinc/37/71/62/411377162.db2.gz TZMVRWAJJYYAOP-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC1CCC([N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000042317387 168158115 /nfs/dbraw/zinc/15/81/15/168158115.db2.gz CVTFLZDPWMNSHA-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000303264398 168170974 /nfs/dbraw/zinc/17/09/74/168170974.db2.gz SITXDVAJXJAYJF-LBPRGKRZSA-N 2 1 238.379 1.194 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000306675151 411456205 /nfs/dbraw/zinc/45/62/05/411456205.db2.gz RZAGHKKFLZYZTF-JTQLQIEISA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]1C[N@H+](CC[NH3+])CCc2ccccc21 ZINC000404707570 411405339 /nfs/dbraw/zinc/40/53/39/411405339.db2.gz KHRYYGBXYBPGKC-LLVKDONJSA-N 2 1 204.317 1.607 20 0 BDADMP C[C@@H]1C[N@@H+](CC[NH3+])CCc2ccccc21 ZINC000404707570 411405341 /nfs/dbraw/zinc/40/53/41/411405341.db2.gz KHRYYGBXYBPGKC-LLVKDONJSA-N 2 1 204.317 1.607 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306089884 411433456 /nfs/dbraw/zinc/43/34/56/411433456.db2.gz LJTIAKDDYIZUBL-AWEZNQCLSA-N 2 1 248.374 1.168 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000306089884 411433459 /nfs/dbraw/zinc/43/34/59/411433459.db2.gz LJTIAKDDYIZUBL-AWEZNQCLSA-N 2 1 248.374 1.168 20 0 BDADMP FCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655733817 411442199 /nfs/dbraw/zinc/44/21/99/411442199.db2.gz RSPLKYHYTNIREI-LBPRGKRZSA-N 2 1 230.327 1.189 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000414831369 411450069 /nfs/dbraw/zinc/45/00/69/411450069.db2.gz DASJJSRFSNPBJW-SNVBAGLBSA-N 2 1 238.379 1.652 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)CO1 ZINC000657292330 411453274 /nfs/dbraw/zinc/45/32/74/411453274.db2.gz HZPPUAYTTOUTKS-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc2n1CCC2 ZINC000657338377 411473210 /nfs/dbraw/zinc/47/32/10/411473210.db2.gz WEGGPHBIBBAMQD-UHFFFAOYSA-N 2 1 245.330 1.124 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)CO1 ZINC000657450104 411511455 /nfs/dbraw/zinc/51/14/55/411511455.db2.gz IMUIVGLNWIYYSQ-FRRDWIJNSA-N 2 1 249.358 1.603 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000660000700 411526357 /nfs/dbraw/zinc/52/63/57/411526357.db2.gz ZIIAOJGCRANBCX-FRRDWIJNSA-N 2 1 228.380 1.560 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cn2cccn2)C1 ZINC000122132941 170007629 /nfs/dbraw/zinc/00/76/29/170007629.db2.gz HRYYWSYVGIIJLZ-STQMWFEESA-N 2 1 236.363 1.203 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000037644136 170007701 /nfs/dbraw/zinc/00/77/01/170007701.db2.gz PRBQCIOCAUSOGP-ZDUSSCGKSA-N 2 1 234.343 1.824 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C)COC2)[C@@H](C)C1 ZINC000336714354 170009341 /nfs/dbraw/zinc/00/93/41/170009341.db2.gz TUEWRMYYWUDMMQ-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C)COC2)[C@@H](C)C1 ZINC000336714354 170009342 /nfs/dbraw/zinc/00/93/42/170009342.db2.gz TUEWRMYYWUDMMQ-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C)COC2)[C@@H](C)C1 ZINC000336714354 170009343 /nfs/dbraw/zinc/00/93/43/170009343.db2.gz TUEWRMYYWUDMMQ-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000300921364 170010664 /nfs/dbraw/zinc/01/06/64/170010664.db2.gz DWMRCSBSGGDQPJ-NEPJUHHUSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccnc2)[C@H](C)C1 ZINC000133479305 170011300 /nfs/dbraw/zinc/01/13/00/170011300.db2.gz VNWTWSIJNHDOPG-UKRRQHHQSA-N 2 1 247.386 1.944 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)OC)[C@H](C)C1 ZINC000122212626 170011533 /nfs/dbraw/zinc/01/15/33/170011533.db2.gz GHASHWZEUONMTI-VXGBXAGGSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@@H](NCc2cccnc2)[C@H](C)C1 ZINC000173363223 170013033 /nfs/dbraw/zinc/01/30/33/170013033.db2.gz YUYZMELRSSWHIM-TZMCWYRMSA-N 2 1 233.359 1.902 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2)[C@H](C)C1 ZINC000173363223 170013036 /nfs/dbraw/zinc/01/30/36/170013036.db2.gz YUYZMELRSSWHIM-TZMCWYRMSA-N 2 1 233.359 1.902 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc(C)ccc2O)C1 ZINC000103342887 170016989 /nfs/dbraw/zinc/01/69/89/170016989.db2.gz BGMJTRZABXFNDO-GFCCVEGCSA-N 2 1 249.358 1.527 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc(C)ccc2O)C1 ZINC000103342887 170016990 /nfs/dbraw/zinc/01/69/90/170016990.db2.gz BGMJTRZABXFNDO-GFCCVEGCSA-N 2 1 249.358 1.527 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)O)C[C@@H]1C ZINC000336691409 170018255 /nfs/dbraw/zinc/01/82/55/170018255.db2.gz LNZMECABCNOBID-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)O)C[C@@H]1C ZINC000336691409 170018257 /nfs/dbraw/zinc/01/82/57/170018257.db2.gz LNZMECABCNOBID-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)O)C[C@@H]1C ZINC000336691409 170018258 /nfs/dbraw/zinc/01/82/58/170018258.db2.gz LNZMECABCNOBID-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CCC[NH3+])C[C@@H]1C ZINC000309786299 170018554 /nfs/dbraw/zinc/01/85/54/170018554.db2.gz ODXBFKNCVVQDMC-RYUDHWBXSA-N 2 1 213.369 1.140 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCO)C[C@H]1C ZINC000336650802 170018709 /nfs/dbraw/zinc/01/87/09/170018709.db2.gz TVUZJAMTSLRBLA-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCO)C[C@H]1C ZINC000336650802 170018710 /nfs/dbraw/zinc/01/87/10/170018710.db2.gz TVUZJAMTSLRBLA-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCO)C[C@H]1C ZINC000336650802 170018711 /nfs/dbraw/zinc/01/87/11/170018711.db2.gz TVUZJAMTSLRBLA-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)O)C[C@@H]1C ZINC000336662606 170019749 /nfs/dbraw/zinc/01/97/49/170019749.db2.gz CMAVVFZOUFKLPV-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)O)C[C@@H]1C ZINC000336662606 170019750 /nfs/dbraw/zinc/01/97/50/170019750.db2.gz CMAVVFZOUFKLPV-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)O)C[C@@H]1C ZINC000336662606 170019752 /nfs/dbraw/zinc/01/97/52/170019752.db2.gz CMAVVFZOUFKLPV-AVGNSLFASA-N 2 1 228.380 1.562 20 0 BDADMP C[NH+]1CCC(N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000657563691 411552482 /nfs/dbraw/zinc/55/24/82/411552482.db2.gz UDDYPJQOELPLTJ-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657630217 411566370 /nfs/dbraw/zinc/56/63/70/411566370.db2.gz ZBPUVGULAOFQRZ-GFCCVEGCSA-N 2 1 224.348 1.382 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336658810 170375467 /nfs/dbraw/zinc/37/54/67/170375467.db2.gz BFXSTWXBGJIGIW-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762802 170387928 /nfs/dbraw/zinc/38/79/28/170387928.db2.gz ZIKUBLAIQUDKGQ-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP CCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762802 170387931 /nfs/dbraw/zinc/38/79/31/170387931.db2.gz ZIKUBLAIQUDKGQ-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP CCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762802 170387932 /nfs/dbraw/zinc/38/79/32/170387932.db2.gz ZIKUBLAIQUDKGQ-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP C([NH2+][C@@H]1CCOC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345932 411633728 /nfs/dbraw/zinc/63/37/28/411633728.db2.gz PDOPOQKHZXNFIN-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP COC[C@H](C[N@H+](C)CCC[NH+]1CCCC1)OC ZINC000660463931 411589818 /nfs/dbraw/zinc/58/98/18/411589818.db2.gz JVBNJNJZEYPNHE-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COC[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)OC ZINC000660463931 411589820 /nfs/dbraw/zinc/58/98/20/411589820.db2.gz JVBNJNJZEYPNHE-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1CCCn2nccc21 ZINC000657818313 411606015 /nfs/dbraw/zinc/60/60/15/411606015.db2.gz SFRHATIEUWYTLQ-NSHDSACASA-N 2 1 222.336 1.259 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657818305 411606037 /nfs/dbraw/zinc/60/60/37/411606037.db2.gz SFRHATIEUWYTLQ-LLVKDONJSA-N 2 1 222.336 1.259 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCO)C2 ZINC000660658324 411614623 /nfs/dbraw/zinc/61/46/23/411614623.db2.gz DVMAVOFNIMIOMD-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCO)C2 ZINC000660658324 411614625 /nfs/dbraw/zinc/61/46/25/411614625.db2.gz DVMAVOFNIMIOMD-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCO)C2 ZINC000660658324 411614626 /nfs/dbraw/zinc/61/46/26/411614626.db2.gz DVMAVOFNIMIOMD-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP CC[C@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660663666 411615860 /nfs/dbraw/zinc/61/58/60/411615860.db2.gz OUCXPZJPQSKLDH-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000660663666 411615861 /nfs/dbraw/zinc/61/58/61/411615861.db2.gz OUCXPZJPQSKLDH-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000660663666 411615862 /nfs/dbraw/zinc/61/58/62/411615862.db2.gz OUCXPZJPQSKLDH-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660663667 411616122 /nfs/dbraw/zinc/61/61/22/411616122.db2.gz OUCXPZJPQSKLDH-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000660663667 411616123 /nfs/dbraw/zinc/61/61/23/411616123.db2.gz OUCXPZJPQSKLDH-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000660663667 411616124 /nfs/dbraw/zinc/61/61/24/411616124.db2.gz OUCXPZJPQSKLDH-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC1(C)C ZINC000660754540 411621335 /nfs/dbraw/zinc/62/13/35/411621335.db2.gz INDUYACNACKHLR-STQMWFEESA-N 2 1 242.407 1.950 20 0 BDADMP CCCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133311229 411704256 /nfs/dbraw/zinc/70/42/56/411704256.db2.gz WGAJKLGEYGMJEX-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CCCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133311229 411704258 /nfs/dbraw/zinc/70/42/58/411704258.db2.gz WGAJKLGEYGMJEX-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000042422731 170505420 /nfs/dbraw/zinc/50/54/20/170505420.db2.gz XAUBYVIUSRCBHZ-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+]1CCO[C@@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663481068 411669068 /nfs/dbraw/zinc/66/90/68/411669068.db2.gz VIVWSLUZYGPMOL-JTQLQIEISA-N 2 1 246.314 1.305 20 0 BDADMP C[N@H+]1CCO[C@@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663481068 411669071 /nfs/dbraw/zinc/66/90/71/411669071.db2.gz VIVWSLUZYGPMOL-JTQLQIEISA-N 2 1 246.314 1.305 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000663509786 411692940 /nfs/dbraw/zinc/69/29/40/411692940.db2.gz AEJNGTYIVRKGGL-YPMHNXCESA-N 2 1 248.370 1.750 20 0 BDADMP C[C@@H]1COC2(CCC2)CN1CCn1ccnc1 ZINC000661466211 411783784 /nfs/dbraw/zinc/78/37/84/411783784.db2.gz IIOXQYCBPJZWLP-GFCCVEGCSA-N 2 1 235.331 1.527 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1=CCCOC1 ZINC000661654188 411830395 /nfs/dbraw/zinc/83/03/95/411830395.db2.gz XLMNSZPQMUWGFK-UHFFFAOYSA-N 2 1 235.331 1.470 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC1=CCCOC1 ZINC000661654188 411830396 /nfs/dbraw/zinc/83/03/96/411830396.db2.gz XLMNSZPQMUWGFK-UHFFFAOYSA-N 2 1 235.331 1.470 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661827172 411892603 /nfs/dbraw/zinc/89/26/03/411892603.db2.gz MFLXCSVAMDRQNV-RYUDHWBXSA-N 2 1 235.331 1.085 20 0 BDADMP CCC[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151733 412008569 /nfs/dbraw/zinc/00/85/69/412008569.db2.gz JWZXLWYWXYJAMT-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000662236145 412033813 /nfs/dbraw/zinc/03/38/13/412033813.db2.gz DADKHVNSTSXLIT-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662243927 412039626 /nfs/dbraw/zinc/03/96/26/412039626.db2.gz DINHJWUPBZSFKB-DCAQKATOSA-N 2 1 248.317 1.470 20 0 BDADMP CO[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])C1CCC1 ZINC000662246777 412042484 /nfs/dbraw/zinc/04/24/84/412042484.db2.gz COGYQRPYXPZHIC-LBPRGKRZSA-N 2 1 228.380 1.718 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662246237 412043894 /nfs/dbraw/zinc/04/38/94/412043894.db2.gz RSURAQHYLQSMEO-RNJOBUHISA-N 2 1 208.349 1.716 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000662247556 412044444 /nfs/dbraw/zinc/04/44/44/412044444.db2.gz XPUFULZXVOHERZ-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250262 412045868 /nfs/dbraw/zinc/04/58/68/412045868.db2.gz COOULHHSJVQQBP-GFCCVEGCSA-N 2 1 226.364 1.485 20 0 BDADMP CCCC[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249578 412046610 /nfs/dbraw/zinc/04/66/10/412046610.db2.gz OLZDVTXAMPIVQV-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662249630 412047259 /nfs/dbraw/zinc/04/72/59/412047259.db2.gz QQRSDXLLEWVGCF-XQQFMLRXSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252113 412050089 /nfs/dbraw/zinc/05/00/89/412050089.db2.gz MDHUSJSEGYTEJB-NEPJUHHUSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]([N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C)CC1 ZINC000662257722 412051065 /nfs/dbraw/zinc/05/10/65/412051065.db2.gz FWKDFMYYRYMZRF-RYUDHWBXSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000662266877 412058536 /nfs/dbraw/zinc/05/85/36/412058536.db2.gz PZCROQYOHWWVTG-KOLCDFICSA-N 2 1 235.331 1.721 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000662266877 412058538 /nfs/dbraw/zinc/05/85/38/412058538.db2.gz PZCROQYOHWWVTG-KOLCDFICSA-N 2 1 235.331 1.721 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000359208390 171079182 /nfs/dbraw/zinc/07/91/82/171079182.db2.gz BSKZAIULNQJQPF-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000662271528 412062232 /nfs/dbraw/zinc/06/22/32/412062232.db2.gz VVXOLZAQZFSHON-JQWIXIFHSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000662271528 412062239 /nfs/dbraw/zinc/06/22/39/412062239.db2.gz VVXOLZAQZFSHON-JQWIXIFHSA-N 2 1 237.347 1.796 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251641620 171107184 /nfs/dbraw/zinc/10/71/84/171107184.db2.gz FZLHEQWEBGRSAA-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cc(C)ncn2)CC[C@@H]1[NH3+] ZINC000662273638 412065345 /nfs/dbraw/zinc/06/53/45/412065345.db2.gz XFXZJKNBCQCRQR-AAEUAGOBSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cc(C)ncn2)CC[C@@H]1[NH3+] ZINC000662273638 412065351 /nfs/dbraw/zinc/06/53/51/412065351.db2.gz XFXZJKNBCQCRQR-AAEUAGOBSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@@](C)(CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336667803 171170028 /nfs/dbraw/zinc/17/00/28/171170028.db2.gz QLDYMXRDPYAJOP-ZDUSSCGKSA-N 2 1 226.364 1.364 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ncn1 ZINC000662282030 412071923 /nfs/dbraw/zinc/07/19/23/412071923.db2.gz BBDBHWYCCMOLDI-DRZSPHRISA-N 2 1 248.374 1.590 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ncn1 ZINC000662282030 412071929 /nfs/dbraw/zinc/07/19/29/412071929.db2.gz BBDBHWYCCMOLDI-DRZSPHRISA-N 2 1 248.374 1.590 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662283746 412075116 /nfs/dbraw/zinc/07/51/16/412075116.db2.gz KCLLDCBIZWJTIY-UTLUCORTSA-N 2 1 234.290 1.222 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCO[C@H]1CC1(F)F ZINC000662283746 412075121 /nfs/dbraw/zinc/07/51/21/412075121.db2.gz KCLLDCBIZWJTIY-UTLUCORTSA-N 2 1 234.290 1.222 20 0 BDADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000662300958 412085602 /nfs/dbraw/zinc/08/56/02/412085602.db2.gz NVYYFJVLHNNLAM-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000310011123 171340614 /nfs/dbraw/zinc/34/06/14/171340614.db2.gz IPBZYIDMVZDTHL-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000310011123 171340615 /nfs/dbraw/zinc/34/06/15/171340615.db2.gz IPBZYIDMVZDTHL-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP C[N@H+](Cc1cccc(N)c1)CC(C)(C)[NH3+] ZINC000662293814 412081037 /nfs/dbraw/zinc/08/10/37/412081037.db2.gz VXOSADINFDKMTD-UHFFFAOYSA-N 2 1 207.321 1.438 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)CC(C)(C)[NH3+] ZINC000662293814 412081041 /nfs/dbraw/zinc/08/10/41/412081041.db2.gz VXOSADINFDKMTD-UHFFFAOYSA-N 2 1 207.321 1.438 20 0 BDADMP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000662291993 412082108 /nfs/dbraw/zinc/08/21/08/412082108.db2.gz ZYASRBFKPASIGJ-CYBMUJFWSA-N 2 1 249.358 1.886 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(C)(C)[NH3+] ZINC000662294093 412082140 /nfs/dbraw/zinc/08/21/40/412082140.db2.gz IVSZNEHLMBXELJ-LLVKDONJSA-N 3 1 213.369 1.045 20 0 BDADMP CN(CC[C@H]1CCC[NH2+]C1)CC(C)(C)[NH3+] ZINC000662294093 412082143 /nfs/dbraw/zinc/08/21/43/412082143.db2.gz IVSZNEHLMBXELJ-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(C)(C)N ZINC000662294093 412082146 /nfs/dbraw/zinc/08/21/46/412082146.db2.gz IVSZNEHLMBXELJ-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(C)(C)N ZINC000662294093 412082149 /nfs/dbraw/zinc/08/21/49/412082149.db2.gz IVSZNEHLMBXELJ-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP OCC[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000662298982 412087500 /nfs/dbraw/zinc/08/75/00/412087500.db2.gz IDAVXADSHJNECW-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000662307692 412093239 /nfs/dbraw/zinc/09/32/39/412093239.db2.gz YAXHGBJJPHOYTH-HNNXBMFYSA-N 2 1 247.386 1.194 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662316746 412099045 /nfs/dbraw/zinc/09/90/45/412099045.db2.gz MKIOEENNWGMIJC-KGLIPLIRSA-N 2 1 240.391 1.469 20 0 BDADMP c1cnc2c(n1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662317982 412099133 /nfs/dbraw/zinc/09/91/33/412099133.db2.gz VJGWQNQFYLVJBK-GFCCVEGCSA-N 2 1 246.358 1.224 20 0 BDADMP CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322737 412101595 /nfs/dbraw/zinc/10/15/95/412101595.db2.gz NCBJJCIGEYAIQU-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328806 412104602 /nfs/dbraw/zinc/10/46/02/412104602.db2.gz VHVOPLPIOZAYEH-LKSINWNRSA-N 2 1 216.328 1.955 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328806 412104605 /nfs/dbraw/zinc/10/46/05/412104605.db2.gz VHVOPLPIOZAYEH-LKSINWNRSA-N 2 1 216.328 1.955 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000665241882 412184669 /nfs/dbraw/zinc/18/46/69/412184669.db2.gz CFCRBJLKYDZIIQ-TUAOUCFPSA-N 2 1 226.364 1.530 20 0 BDADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000665242391 412185104 /nfs/dbraw/zinc/18/51/04/412185104.db2.gz VXBJFTLAGKJSHR-AVGNSLFASA-N 2 1 248.374 1.398 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C12CCCC2 ZINC000665242965 412187259 /nfs/dbraw/zinc/18/72/59/412187259.db2.gz QLVYJTMSYWWPDI-XQQFMLRXSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@H]([NH2+]CCc1ccoc1)c1c[nH+]ccc1N ZINC000665262035 412204831 /nfs/dbraw/zinc/20/48/31/412204831.db2.gz RROKDPTXJGHEJU-JTQLQIEISA-N 2 1 231.299 1.980 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665267531 412210851 /nfs/dbraw/zinc/21/08/51/412210851.db2.gz YHCSJAFZUZNDNX-KXUCPTDWSA-N 2 1 218.291 1.762 20 0 BDADMP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000662410222 412154823 /nfs/dbraw/zinc/15/48/23/412154823.db2.gz PQAOUYXSIYRZTK-GFCCVEGCSA-N 2 1 247.342 1.121 20 0 BDADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232452 412169586 /nfs/dbraw/zinc/16/95/86/412169586.db2.gz NCNVUKMVSIXTQA-BZPMIXESSA-N 2 1 233.359 1.915 20 0 BDADMP Cc1cncc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000665274104 412217417 /nfs/dbraw/zinc/21/74/17/412217417.db2.gz JYVGDIATXGDXRF-DGCLKSJQSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279349 412220013 /nfs/dbraw/zinc/22/00/13/412220013.db2.gz ASIPBJBHUXAORR-PKSQDBQZSA-N 2 1 220.316 1.552 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000665281767 412224597 /nfs/dbraw/zinc/22/45/97/412224597.db2.gz KOENTXNFXWZTKR-JHJVBQTASA-N 3 1 227.396 1.338 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000665281164 412226079 /nfs/dbraw/zinc/22/60/79/412226079.db2.gz WJQAOYJUSJIAGU-MBNYWOFBSA-N 2 1 239.407 1.575 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000665281164 412226081 /nfs/dbraw/zinc/22/60/81/412226081.db2.gz WJQAOYJUSJIAGU-MBNYWOFBSA-N 2 1 239.407 1.575 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000665281165 412226107 /nfs/dbraw/zinc/22/61/07/412226107.db2.gz WJQAOYJUSJIAGU-OUCADQQQSA-N 2 1 239.407 1.575 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000665281165 412226109 /nfs/dbraw/zinc/22/61/09/412226109.db2.gz WJQAOYJUSJIAGU-OUCADQQQSA-N 2 1 239.407 1.575 20 0 BDADMP c1cc2[nH+]ccc(NC3CC[NH2+]CC3)c2s1 ZINC000663237810 412398335 /nfs/dbraw/zinc/39/83/35/412398335.db2.gz SHBABOKFNSYWSF-UHFFFAOYSA-N 2 1 233.340 1.882 20 0 BDADMP CCc1nocc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339191058 172101248 /nfs/dbraw/zinc/10/12/48/172101248.db2.gz RIINWTKHBKJBMJ-CHWSQXEVSA-N 2 1 249.358 1.953 20 0 BDADMP CCn1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000111696061 172165974 /nfs/dbraw/zinc/16/59/74/172165974.db2.gz KDCHTEKFYJLJKZ-YPMHNXCESA-N 2 1 236.363 1.462 20 0 BDADMP CCn1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000111696061 172165977 /nfs/dbraw/zinc/16/59/77/172165977.db2.gz KDCHTEKFYJLJKZ-YPMHNXCESA-N 2 1 236.363 1.462 20 0 BDADMP CCn1ccnc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112346165 172224418 /nfs/dbraw/zinc/22/44/18/172224418.db2.gz BYIMWKYQZNUNFG-QWHCGFSZSA-N 2 1 248.374 1.619 20 0 BDADMP CCn1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000307963327 172245721 /nfs/dbraw/zinc/24/57/21/172245721.db2.gz GTXBNPSPAZRBKY-GFCCVEGCSA-N 2 1 236.363 1.300 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337995467 172493452 /nfs/dbraw/zinc/49/34/52/172493452.db2.gz MVKLSCSBIBSVCZ-XQQFMLRXSA-N 2 1 246.370 1.417 20 0 BDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335396971 487625127 /nfs/dbraw/zinc/62/51/27/487625127.db2.gz CKQTVBHPYAYITA-PWSUYJOCSA-N 2 1 225.336 1.376 20 0 BDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335396971 487625130 /nfs/dbraw/zinc/62/51/30/487625130.db2.gz CKQTVBHPYAYITA-PWSUYJOCSA-N 2 1 225.336 1.376 20 0 BDADMP C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000336547289 173002937 /nfs/dbraw/zinc/00/29/37/173002937.db2.gz TZBYGCGKHYZMBJ-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000335310117 173003880 /nfs/dbraw/zinc/00/38/80/173003880.db2.gz DXRDAUSNKVIDHJ-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000335310117 173003884 /nfs/dbraw/zinc/00/38/84/173003884.db2.gz DXRDAUSNKVIDHJ-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000335310117 173003885 /nfs/dbraw/zinc/00/38/85/173003885.db2.gz DXRDAUSNKVIDHJ-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C2(CC2)C1 ZINC000335681850 173004946 /nfs/dbraw/zinc/00/49/46/173004946.db2.gz QNYUVEXMGQYKIH-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000335681850 173004948 /nfs/dbraw/zinc/00/49/48/173004948.db2.gz QNYUVEXMGQYKIH-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000335681850 173004949 /nfs/dbraw/zinc/00/49/49/173004949.db2.gz QNYUVEXMGQYKIH-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@H+]1CCCC[C@H]1CNc1cc[nH+]cc1 ZINC000044563146 173009924 /nfs/dbraw/zinc/00/99/24/173009924.db2.gz VFKLQFAXYQEPCP-LBPRGKRZSA-N 2 1 205.305 1.978 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CO ZINC000336698533 173026923 /nfs/dbraw/zinc/02/69/23/173026923.db2.gz JIMIIOMNKFYVJP-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1CO ZINC000336698533 173026926 /nfs/dbraw/zinc/02/69/26/173026926.db2.gz JIMIIOMNKFYVJP-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1CO ZINC000336698533 173026928 /nfs/dbraw/zinc/02/69/28/173026928.db2.gz JIMIIOMNKFYVJP-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H](CO)C1 ZINC000372880295 173028974 /nfs/dbraw/zinc/02/89/74/173028974.db2.gz KUYRQVZDYORSQP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H](CO)C1 ZINC000372880295 173028976 /nfs/dbraw/zinc/02/89/76/173028976.db2.gz KUYRQVZDYORSQP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H](CO)C1 ZINC000372880295 173028980 /nfs/dbraw/zinc/02/89/80/173028980.db2.gz KUYRQVZDYORSQP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(O)cc2)CC1 ZINC000076681106 173046076 /nfs/dbraw/zinc/04/60/76/173046076.db2.gz IGBKOGRCHLVLBU-ZDUSSCGKSA-N 2 1 234.343 1.966 20 0 BDADMP C[N@H+]1CCN(CC[NH2+]C2CCCC2)CC1(C)C ZINC000110757864 173081445 /nfs/dbraw/zinc/08/14/45/173081445.db2.gz AGQLCCLLTKEWEF-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CC[C@@H](CNC(N)=[NH2+])[C@H]1c1cccs1 ZINC000361940766 173113288 /nfs/dbraw/zinc/11/32/88/173113288.db2.gz CFRBOCYRDOHLNZ-WPRPVWTQSA-N 2 1 238.360 1.224 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOC(C)(C)C)C2)C1 ZINC000368313662 173137789 /nfs/dbraw/zinc/13/77/89/173137789.db2.gz DHNYEHHRTJHENZ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOC(C)(C)C)C2)C1 ZINC000368313662 173137792 /nfs/dbraw/zinc/13/77/92/173137792.db2.gz DHNYEHHRTJHENZ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOC(C)(C)C)C2)C1 ZINC000368313662 173137796 /nfs/dbraw/zinc/13/77/96/173137796.db2.gz DHNYEHHRTJHENZ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000368606790 173152096 /nfs/dbraw/zinc/15/20/96/173152096.db2.gz FVVPJHFFGTVOPR-SOUVJXGZSA-N 2 1 247.386 1.988 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2CC2)[C@H]2CCC[C@@H]21 ZINC000367639968 173153535 /nfs/dbraw/zinc/15/35/35/173153535.db2.gz YFPQLUIAEHNQTI-AGIUHOORSA-N 2 1 208.349 1.859 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000377796822 173154619 /nfs/dbraw/zinc/15/46/19/173154619.db2.gz VHXVJUVSOPUCBN-HZSPNIEDSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353504738 173154655 /nfs/dbraw/zinc/15/46/55/173154655.db2.gz SSZNOEDJKQQGDC-AVGNSLFASA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353504738 173154658 /nfs/dbraw/zinc/15/46/58/173154658.db2.gz SSZNOEDJKQQGDC-AVGNSLFASA-N 2 1 248.374 1.383 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3Cc4ccccc43)C[C@@H]2C1 ZINC000376503380 173196689 /nfs/dbraw/zinc/19/66/89/173196689.db2.gz AFBOTHSWZGJCCO-KFWWJZLASA-N 2 1 242.366 1.820 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3Cc4ccccc43)C[C@@H]2C1 ZINC000376503380 173196692 /nfs/dbraw/zinc/19/66/92/173196692.db2.gz AFBOTHSWZGJCCO-KFWWJZLASA-N 2 1 242.366 1.820 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3Cc4ccccc43)C[C@@H]2C1 ZINC000376503380 173196695 /nfs/dbraw/zinc/19/66/95/173196695.db2.gz AFBOTHSWZGJCCO-KFWWJZLASA-N 2 1 242.366 1.820 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@@H]2C1 ZINC000365941500 173197314 /nfs/dbraw/zinc/19/73/14/173197314.db2.gz OQGNWDKDBAZZLC-SDDRHHMPSA-N 2 1 226.389 1.233 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCSC3)C[C@@H]2C1 ZINC000365941500 173197315 /nfs/dbraw/zinc/19/73/15/173197315.db2.gz OQGNWDKDBAZZLC-SDDRHHMPSA-N 2 1 226.389 1.233 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@@H]2C1 ZINC000365941500 173197316 /nfs/dbraw/zinc/19/73/16/173197316.db2.gz OQGNWDKDBAZZLC-SDDRHHMPSA-N 2 1 226.389 1.233 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000128240928 173379256 /nfs/dbraw/zinc/37/92/56/173379256.db2.gz NXYDSEZTVIFILN-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000128240928 173379257 /nfs/dbraw/zinc/37/92/57/173379257.db2.gz NXYDSEZTVIFILN-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2scnc2C)C1 ZINC000070837119 173382053 /nfs/dbraw/zinc/38/20/53/173382053.db2.gz XRFBNZPIBURFJJ-SNVBAGLBSA-N 2 1 225.361 1.493 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC000070837119 173382054 /nfs/dbraw/zinc/38/20/54/173382054.db2.gz XRFBNZPIBURFJJ-SNVBAGLBSA-N 2 1 225.361 1.493 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000309352728 173952930 /nfs/dbraw/zinc/95/29/30/173952930.db2.gz MSMWLRONNUEPRL-JTQLQIEISA-N 2 1 225.336 1.595 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310258619 174076660 /nfs/dbraw/zinc/07/66/60/174076660.db2.gz HFJXDEHSPMXQGB-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP COCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746915 174216552 /nfs/dbraw/zinc/21/65/52/174216552.db2.gz BTQJTSVAXUMTIR-FOSCPWQOSA-N 2 1 212.337 1.238 20 0 BDADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309635784 174250587 /nfs/dbraw/zinc/25/05/87/174250587.db2.gz JKVPXHUFCBPUPH-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1CCSC1 ZINC000336775873 174275213 /nfs/dbraw/zinc/27/52/13/174275213.db2.gz CXTOWLPUDGRXJK-LBPRGKRZSA-N 2 1 246.420 1.297 20 0 BDADMP COCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000136298241 174276318 /nfs/dbraw/zinc/27/63/18/174276318.db2.gz NPGGDUDCORJQJJ-UHFFFAOYSA-N 2 1 211.309 1.160 20 0 BDADMP COCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136298241 174276320 /nfs/dbraw/zinc/27/63/20/174276320.db2.gz NPGGDUDCORJQJJ-UHFFFAOYSA-N 2 1 211.309 1.160 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234628586 174287105 /nfs/dbraw/zinc/28/71/05/174287105.db2.gz SUTCLAISVNXZNU-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP COCC[NH+](CCOC)CC[C@@H]1CCC[N@@H+]1C ZINC000124731621 174296041 /nfs/dbraw/zinc/29/60/41/174296041.db2.gz LPNFOMLGPJEGJM-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COCC[NH+](CCOC)CC[C@@H]1CCC[N@H+]1C ZINC000124731621 174296042 /nfs/dbraw/zinc/29/60/42/174296042.db2.gz LPNFOMLGPJEGJM-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC[C@H](C)OC)CC1 ZINC000360155117 174304955 /nfs/dbraw/zinc/30/49/55/174304955.db2.gz KOJSWJXUHFEYSU-LBPRGKRZSA-N 2 1 244.379 1.112 20 0 BDADMP COCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268888817 174383277 /nfs/dbraw/zinc/38/32/77/174383277.db2.gz UBYJNACXHMNYNY-LLVKDONJSA-N 2 1 225.336 1.596 20 0 BDADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[NH3+])CC2 ZINC000133237392 175211679 /nfs/dbraw/zinc/21/16/79/175211679.db2.gz BMCMHASUKPNFAU-GFCCVEGCSA-N 2 1 220.316 1.101 20 0 BDADMP COc1cccc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000093232458 175255772 /nfs/dbraw/zinc/25/57/72/175255772.db2.gz TWRRVGFTHCJKMD-UHFFFAOYSA-N 2 1 238.331 1.102 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)O1 ZINC000370722864 176203532 /nfs/dbraw/zinc/20/35/32/176203532.db2.gz UNWDUZXSTGOVJL-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309100722 176268561 /nfs/dbraw/zinc/26/85/61/176268561.db2.gz FOSWSSSKCRLGAS-SCZZXKLOSA-N 2 1 218.291 1.714 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309100722 176268562 /nfs/dbraw/zinc/26/85/62/176268562.db2.gz FOSWSSSKCRLGAS-SCZZXKLOSA-N 2 1 218.291 1.714 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000305173919 176271282 /nfs/dbraw/zinc/27/12/82/176271282.db2.gz UUSNHWVYFAGYAB-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000036907947 176278480 /nfs/dbraw/zinc/27/84/80/176278480.db2.gz DMPKCBRDQSIQEM-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000353484278 176278551 /nfs/dbraw/zinc/27/85/51/176278551.db2.gz JGKVKPHUXWZPFG-MHDGFBEUSA-N 2 1 240.391 1.323 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](C)CC1 ZINC000036908599 176278862 /nfs/dbraw/zinc/27/88/62/176278862.db2.gz OYZLVNPZPCHLKQ-YRGRVCCFSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@H](C)[NH+]1C ZINC000336895413 176294319 /nfs/dbraw/zinc/29/43/19/176294319.db2.gz YTMXSEOBRQHTEK-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCF ZINC000368417111 176300101 /nfs/dbraw/zinc/30/01/01/176300101.db2.gz PHODJLYRUDNCDV-UPJWGTAASA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCF ZINC000368417111 176300103 /nfs/dbraw/zinc/30/01/03/176300103.db2.gz PHODJLYRUDNCDV-UPJWGTAASA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1[NH3+] ZINC000049712679 176308002 /nfs/dbraw/zinc/30/80/02/176308002.db2.gz KKIYSSXHIBHNQU-KOLCDFICSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[C@@H]1CC[NH2+]C1 ZINC000251543401 176322858 /nfs/dbraw/zinc/32/28/58/176322858.db2.gz AWCQOOOYMZRYMO-RDBSUJKOSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCCOC1 ZINC000126722298 176367684 /nfs/dbraw/zinc/36/76/84/176367684.db2.gz JCVXEOKSMWMAOC-WOPDTQHZSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccs1 ZINC000126712131 176367998 /nfs/dbraw/zinc/36/79/98/176367998.db2.gz NDKVMJFEXHNQOS-ZJUUUORDSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1C ZINC000132992787 176371588 /nfs/dbraw/zinc/37/15/88/176371588.db2.gz NKXJFJKKLJMUBG-OCCSQVGLSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000132992787 176371590 /nfs/dbraw/zinc/37/15/90/176371590.db2.gz NKXJFJKKLJMUBG-OCCSQVGLSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000132992787 176371591 /nfs/dbraw/zinc/37/15/91/176371591.db2.gz NKXJFJKKLJMUBG-OCCSQVGLSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH+]1C ZINC000132992787 176371593 /nfs/dbraw/zinc/37/15/93/176371593.db2.gz NKXJFJKKLJMUBG-OCCSQVGLSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH+]1C ZINC000132992787 176371596 /nfs/dbraw/zinc/37/15/96/176371596.db2.gz NKXJFJKKLJMUBG-OCCSQVGLSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[N@H+]1C ZINC000310332225 176375777 /nfs/dbraw/zinc/37/57/77/176375777.db2.gz ZAFYAAJESYRAEK-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308999900 176395477 /nfs/dbraw/zinc/39/54/77/176395477.db2.gz RGADXXFYXDOZBO-GHMZBOCLSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678043254 487635889 /nfs/dbraw/zinc/63/58/89/487635889.db2.gz ACBLEKYSOAQDEA-KBPBESRZSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313383731 177038421 /nfs/dbraw/zinc/03/84/21/177038421.db2.gz JKRVEHOBUXUYHI-TZMCWYRMSA-N 2 1 234.343 1.797 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256845 177043572 /nfs/dbraw/zinc/04/35/72/177043572.db2.gz VBWYLAFWDFPCCZ-NEPJUHHUSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CCC[NH3+] ZINC000019424911 177074652 /nfs/dbraw/zinc/07/46/52/177074652.db2.gz LEZWHKPLPSRKCY-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336663780 177076839 /nfs/dbraw/zinc/07/68/39/177076839.db2.gz OYBIUMYJBLFIQC-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336663780 177076840 /nfs/dbraw/zinc/07/68/40/177076840.db2.gz OYBIUMYJBLFIQC-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336663780 177076841 /nfs/dbraw/zinc/07/68/41/177076841.db2.gz OYBIUMYJBLFIQC-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336663780 177076842 /nfs/dbraw/zinc/07/68/42/177076842.db2.gz OYBIUMYJBLFIQC-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000128251003 177202935 /nfs/dbraw/zinc/20/29/35/177202935.db2.gz SDARTLFPCGKWOM-SMDDNHRTSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918622 177253740 /nfs/dbraw/zinc/25/37/40/177253740.db2.gz OYGYTWWCMINTHW-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCO[C@@H](C)C2)CC[NH2+]1 ZINC000235381156 177258763 /nfs/dbraw/zinc/25/87/63/177258763.db2.gz SDLUWYFBUCDSIH-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000049712464 177267441 /nfs/dbraw/zinc/26/74/41/177267441.db2.gz LMGBDFJJPBPVCC-JQWIXIFHSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000049712464 177267443 /nfs/dbraw/zinc/26/74/43/177267443.db2.gz LMGBDFJJPBPVCC-JQWIXIFHSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000304401722 177306585 /nfs/dbraw/zinc/30/65/85/177306585.db2.gz HHPJEXLSPGGREA-GXFFZTMASA-N 2 1 240.416 1.954 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336676086 177313142 /nfs/dbraw/zinc/31/31/42/177313142.db2.gz CFAIDCLMASFNLX-SCRDCRAPSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336676086 177313143 /nfs/dbraw/zinc/31/31/43/177313143.db2.gz CFAIDCLMASFNLX-SCRDCRAPSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@H](C)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336676086 177313144 /nfs/dbraw/zinc/31/31/44/177313144.db2.gz CFAIDCLMASFNLX-SCRDCRAPSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@H](C)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336676086 177313145 /nfs/dbraw/zinc/31/31/45/177313145.db2.gz CFAIDCLMASFNLX-SCRDCRAPSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2cccnc2)CC[N@H+]1C ZINC000130003725 177331737 /nfs/dbraw/zinc/33/17/37/177331737.db2.gz WYNUODVGAAGAPC-JSGCOSHPSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCN(C)C)c2nccn21 ZINC000293871531 177368707 /nfs/dbraw/zinc/36/87/07/177368707.db2.gz DXROVNFFPGQBOI-UWVGGRQHSA-N 2 1 208.309 1.040 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000348222939 177368989 /nfs/dbraw/zinc/36/89/89/177368989.db2.gz WSLQDOZHSFCYCA-DYEKYZERSA-N 2 1 238.375 1.651 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCOCC1 ZINC000471766438 225079235 /nfs/dbraw/zinc/07/92/35/225079235.db2.gz ARUPNRWIFYVZFL-LLVKDONJSA-N 2 1 237.347 1.367 20 0 BDADMP C[C@H]([NH2+][C@H]1COCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400433587 226343339 /nfs/dbraw/zinc/34/33/39/226343339.db2.gz LXRSYUCZHXQGFZ-DCAQKATOSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400426239 226343443 /nfs/dbraw/zinc/34/34/43/226343443.db2.gz YTPLYDCRPYOTPA-OCCSQVGLSA-N 2 1 218.344 1.959 20 0 BDADMP C[NH2+][C@@H]1CCCN(CCCc2c[nH+]cn2C)C1 ZINC000314013541 487657356 /nfs/dbraw/zinc/65/73/56/487657356.db2.gz OAYGUKYWVNLVJT-GFCCVEGCSA-N 2 1 236.363 1.037 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)C12CCC2 ZINC000308365361 229230207 /nfs/dbraw/zinc/23/02/07/229230207.db2.gz KMRPDMOQKOKLGL-CHWSQXEVSA-N 2 1 249.358 1.739 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000087790284 487686695 /nfs/dbraw/zinc/68/66/95/487686695.db2.gz HLHJSZQYETWZHQ-UPJWGTAASA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000384025323 487687191 /nfs/dbraw/zinc/68/71/91/487687191.db2.gz QNIPEBVAFFZVOG-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000384025323 487687200 /nfs/dbraw/zinc/68/72/00/487687200.db2.gz QNIPEBVAFFZVOG-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000384025323 487687208 /nfs/dbraw/zinc/68/72/08/487687208.db2.gz QNIPEBVAFFZVOG-BFHYXJOUSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCCCO ZINC000398629630 487722319 /nfs/dbraw/zinc/72/23/19/487722319.db2.gz QPBILJZDPXFUHL-NWDGAFQWSA-N 2 1 216.369 1.501 20 0 BDADMP Cc1cncc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000228780065 487724425 /nfs/dbraw/zinc/72/44/25/487724425.db2.gz DECIEZQYGDJBLP-UHFFFAOYSA-N 2 1 205.305 1.313 20 0 BDADMP Cc1ccc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000163432150 487726241 /nfs/dbraw/zinc/72/62/41/487726241.db2.gz QTIKRZGCHAFUSG-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250531318 487734177 /nfs/dbraw/zinc/73/41/77/487734177.db2.gz RWQOCXZRDPEDMP-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CCc1cc(N2CCC([NH2+]C)CC2)nc(C)[nH+]1 ZINC000088759707 487749857 /nfs/dbraw/zinc/74/98/57/487749857.db2.gz ULQLZGWTPSEQIT-UHFFFAOYSA-N 2 1 234.347 1.536 20 0 BDADMP C[C@@H](CO)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000672554913 487756131 /nfs/dbraw/zinc/75/61/31/487756131.db2.gz ABXGQNWNHGRPPL-DGCLKSJQSA-N 2 1 236.315 1.163 20 0 BDADMP CO[C@H](C[N@H+](C)C1CC([NH3+])C1)c1ccccc1 ZINC000385018197 487760821 /nfs/dbraw/zinc/76/08/21/487760821.db2.gz ODYPNEMLYAKUID-JXQTWKCFSA-N 2 1 234.343 1.796 20 0 BDADMP CO[C@H](C[N@@H+](C)C1CC([NH3+])C1)c1ccccc1 ZINC000385018197 487760825 /nfs/dbraw/zinc/76/08/25/487760825.db2.gz ODYPNEMLYAKUID-JXQTWKCFSA-N 2 1 234.343 1.796 20 0 BDADMP Cc1nc(C[NH+]2CCC(C[NH3+])CC2)co1 ZINC000310370770 487802464 /nfs/dbraw/zinc/80/24/64/487802464.db2.gz XSWBRDMHLXFWBX-UHFFFAOYSA-N 2 1 209.293 1.154 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000309242872 487805942 /nfs/dbraw/zinc/80/59/42/487805942.db2.gz LDYHAHBALMJDTE-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000309242872 487805946 /nfs/dbraw/zinc/80/59/46/487805946.db2.gz LDYHAHBALMJDTE-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000309242872 487805950 /nfs/dbraw/zinc/80/59/50/487805950.db2.gz LDYHAHBALMJDTE-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000229097744 487817240 /nfs/dbraw/zinc/81/72/40/487817240.db2.gz ACXPUSPGEAGVEE-VXGBXAGGSA-N 2 1 234.343 1.750 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000229097752 487817354 /nfs/dbraw/zinc/81/73/54/487817354.db2.gz ACXPUSPGEAGVEE-NWDGAFQWSA-N 2 1 234.343 1.750 20 0 BDADMP C[N@@H+](CCC[NH3+])CCc1ccccc1O ZINC000414719218 487818583 /nfs/dbraw/zinc/81/85/83/487818583.db2.gz XTPMHYRNULMZCM-UHFFFAOYSA-N 2 1 208.305 1.215 20 0 BDADMP CC(C)(C)[C@H]1CC[N@@H+](CCC[NH3+])C[C@H]1O ZINC000414755684 487821374 /nfs/dbraw/zinc/82/13/74/487821374.db2.gz ICYJUMAPIBTHMK-WDEREUQCSA-N 2 1 214.353 1.064 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000414919948 487828489 /nfs/dbraw/zinc/82/84/89/487828489.db2.gz WEFWREVRIFJSHN-WDEREUQCSA-N 2 1 222.336 1.088 20 0 BDADMP Cc1[nH+]cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)n1C ZINC000668090249 487834342 /nfs/dbraw/zinc/83/43/42/487834342.db2.gz JBJMIGMJZITKFD-YGRLFVJLSA-N 2 1 249.358 1.728 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCOC)CC[C@H]1[NH3+] ZINC000252874086 487837093 /nfs/dbraw/zinc/83/70/93/487837093.db2.gz VWBGBWSKSPZLEW-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000471760314 528964986 /nfs/dbraw/zinc/96/49/86/528964986.db2.gz QEZMAZHENFBZQS-CHWSQXEVSA-N 2 1 242.407 2.000 20 0 BDADMP C[N@@H+](CCCF)CC[C@H]1CCC[NH+]1C ZINC000887141340 592456763 /nfs/dbraw/zinc/45/67/63/592456763.db2.gz OZPNHCIBJPAVMV-LLVKDONJSA-N 2 1 202.317 1.762 20 0 BDADMP C[NH+](CCCF)CC[C@H]1CCC[N@@H+]1C ZINC000887141340 592456767 /nfs/dbraw/zinc/45/67/67/592456767.db2.gz OZPNHCIBJPAVMV-LLVKDONJSA-N 2 1 202.317 1.762 20 0 BDADMP C[NH+](CCCF)CC[C@H]1CCC[N@H+]1C ZINC000887141340 592456771 /nfs/dbraw/zinc/45/67/71/592456771.db2.gz OZPNHCIBJPAVMV-LLVKDONJSA-N 2 1 202.317 1.762 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666699878 487862954 /nfs/dbraw/zinc/86/29/54/487862954.db2.gz BWEBPEGPQDSMNZ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCOC1 ZINC000681928660 487870292 /nfs/dbraw/zinc/87/02/92/487870292.db2.gz RGXCMOOPCHTDNT-CHWSQXEVSA-N 2 1 249.358 1.556 20 0 BDADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCOC1 ZINC000681928660 487870297 /nfs/dbraw/zinc/87/02/97/487870297.db2.gz RGXCMOOPCHTDNT-CHWSQXEVSA-N 2 1 249.358 1.556 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000666855429 487890403 /nfs/dbraw/zinc/89/04/03/487890403.db2.gz REQRCORLYVILCP-JTQLQIEISA-N 2 1 239.388 1.937 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC000666852107 487890767 /nfs/dbraw/zinc/89/07/67/487890767.db2.gz FSXCPANLUOIMOA-RYUDHWBXSA-N 2 1 244.342 1.694 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](C)C1 ZINC000248002936 487894233 /nfs/dbraw/zinc/89/42/33/487894233.db2.gz KNJSFKDHHQYPPF-VJTDZRGJSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc2ccccn12 ZINC000666879642 487895707 /nfs/dbraw/zinc/89/57/07/487895707.db2.gz QXEDDRHJMAGDHR-AAEUAGOBSA-N 2 1 244.342 1.422 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000404296087 487916923 /nfs/dbraw/zinc/91/69/23/487916923.db2.gz DAKVIQLEJWDDIF-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968918 487920889 /nfs/dbraw/zinc/92/08/89/487920889.db2.gz IUKNPEGKHGIPIR-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000157894559 487927908 /nfs/dbraw/zinc/92/79/08/487927908.db2.gz ZTEIRMYOCNCAHD-STQMWFEESA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000157894559 487927911 /nfs/dbraw/zinc/92/79/11/487927911.db2.gz ZTEIRMYOCNCAHD-STQMWFEESA-N 2 1 219.332 1.641 20 0 BDADMP CC(C)O[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000404774295 487933341 /nfs/dbraw/zinc/93/33/41/487933341.db2.gz NUXZXEXLFMNZQF-NSHDSACASA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000404774295 487933345 /nfs/dbraw/zinc/93/33/45/487933345.db2.gz NUXZXEXLFMNZQF-NSHDSACASA-N 2 1 214.353 1.613 20 0 BDADMP Cc1ccc(O)c(C[NH2+]CC[C@H]2CCC[NH2+]2)n1 ZINC000562745498 323029829 /nfs/dbraw/zinc/02/98/29/323029829.db2.gz KAKWFZWXAXMJFZ-LLVKDONJSA-N 2 1 235.331 1.327 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000397352825 323034620 /nfs/dbraw/zinc/03/46/20/323034620.db2.gz DCRHRIXNHKQUBQ-UPJWGTAASA-N 2 1 236.363 1.188 20 0 BDADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000562962886 323036844 /nfs/dbraw/zinc/03/68/44/323036844.db2.gz XVESFSVTBMBPMV-NEPJUHHUSA-N 2 1 224.348 1.287 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000570044473 323048255 /nfs/dbraw/zinc/04/82/55/323048255.db2.gz MGKLODLNCVKBBB-SFYZADRCSA-N 2 1 211.309 1.507 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ncccc2F)C1 ZINC000570292632 323055496 /nfs/dbraw/zinc/05/54/96/323055496.db2.gz DZOUTHVBJNWTCU-NXEZZACHSA-N 2 1 223.295 1.580 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cncs1 ZINC000570673771 323066605 /nfs/dbraw/zinc/06/66/05/323066605.db2.gz VAPBEDYGGKBZPE-SECBINFHSA-N 2 1 213.350 1.793 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000516651730 323081326 /nfs/dbraw/zinc/08/13/26/323081326.db2.gz KIEHOFRYIRPGNF-ZDUSSCGKSA-N 3 1 225.380 1.047 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069015 323084459 /nfs/dbraw/zinc/08/44/59/323084459.db2.gz BVPULASDQNMABF-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069015 323084460 /nfs/dbraw/zinc/08/44/60/323084460.db2.gz BVPULASDQNMABF-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069015 323084461 /nfs/dbraw/zinc/08/44/61/323084461.db2.gz BVPULASDQNMABF-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000531727699 323111551 /nfs/dbraw/zinc/11/15/51/323111551.db2.gz GQAISRONKMGPFK-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000531727699 323111552 /nfs/dbraw/zinc/11/15/52/323111552.db2.gz GQAISRONKMGPFK-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000531727699 323111553 /nfs/dbraw/zinc/11/15/53/323111553.db2.gz GQAISRONKMGPFK-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CCO)c2ccco2)C1 ZINC000563427357 323126246 /nfs/dbraw/zinc/12/62/46/323126246.db2.gz YBMWEWRBXBFKLX-UTUOFQBUSA-N 2 1 238.331 1.563 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000563528762 323129220 /nfs/dbraw/zinc/12/92/20/323129220.db2.gz FAAJUUOQQIWFKI-RWMBFGLXSA-N 2 1 228.380 1.323 20 0 BDADMP CCC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000310391819 323130958 /nfs/dbraw/zinc/13/09/58/323130958.db2.gz LDBXPCXUBMPYDC-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H]1CCCC[N@H+]1C[C@H](O)CN(C)CC ZINC000310391819 323130956 /nfs/dbraw/zinc/13/09/56/323130956.db2.gz LDBXPCXUBMPYDC-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000310391819 323130957 /nfs/dbraw/zinc/13/09/57/323130957.db2.gz LDBXPCXUBMPYDC-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C(C1CC1)C1CC1 ZINC000049330462 323159713 /nfs/dbraw/zinc/15/97/13/323159713.db2.gz AYVSPECITLKRCC-UHFFFAOYSA-N 2 1 219.332 1.970 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000304331519 323164047 /nfs/dbraw/zinc/16/40/47/323164047.db2.gz VGESERPXXUIVPQ-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000395120052 323187790 /nfs/dbraw/zinc/18/77/90/323187790.db2.gz GHAXBXIBFPAYCJ-FRRDWIJNSA-N 2 1 242.407 1.713 20 0 BDADMP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1O ZINC000395128685 323188394 /nfs/dbraw/zinc/18/83/94/323188394.db2.gz CECOLSQVNCEKFM-UHFFFAOYSA-N 2 1 236.315 1.322 20 0 BDADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1O ZINC000395128685 323188395 /nfs/dbraw/zinc/18/83/95/323188395.db2.gz CECOLSQVNCEKFM-UHFFFAOYSA-N 2 1 236.315 1.322 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395137285 323188852 /nfs/dbraw/zinc/18/88/52/323188852.db2.gz SOIKNQAOQPQBGK-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C(C)(C)C ZINC000309176541 323324006 /nfs/dbraw/zinc/32/40/06/323324006.db2.gz CVSMZCVFXCWWGV-NSHDSACASA-N 2 1 225.336 1.188 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C(C1CC1)C1CC1 ZINC000309512908 323421915 /nfs/dbraw/zinc/42/19/15/323421915.db2.gz QDTSDGXPLVHFNH-UHFFFAOYSA-N 2 1 219.332 1.741 20 0 BDADMP CN(C)c1cccnc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000571894800 323500961 /nfs/dbraw/zinc/50/09/61/323500961.db2.gz LFFJLDVPLQQIKE-NEPJUHHUSA-N 2 1 248.374 1.507 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000158915937 324137006 /nfs/dbraw/zinc/13/70/06/324137006.db2.gz BGXGHNSZHSOVAP-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP C[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000124635586 324621899 /nfs/dbraw/zinc/62/18/99/324621899.db2.gz FELPAWSDVAAMGH-UHFFFAOYSA-N 2 1 210.321 1.017 20 0 BDADMP CC[C@H]1C[N@H+](Cc2c(C)noc2C)CC[C@@H]1[NH3+] ZINC000122233890 487970332 /nfs/dbraw/zinc/97/03/32/487970332.db2.gz MILMBPPYPOHJSX-AAEUAGOBSA-N 2 1 237.347 1.851 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2c(C)noc2C)CC[C@@H]1[NH3+] ZINC000122233890 487970336 /nfs/dbraw/zinc/97/03/36/487970336.db2.gz MILMBPPYPOHJSX-AAEUAGOBSA-N 2 1 237.347 1.851 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000566352131 326036312 /nfs/dbraw/zinc/03/63/12/326036312.db2.gz XGEMUSPXBHNWGT-KGLIPLIRSA-N 2 1 242.407 1.715 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000566549537 326063159 /nfs/dbraw/zinc/06/31/59/326063159.db2.gz JARDAZGIJCNZDO-PWSUYJOCSA-N 2 1 214.353 1.376 20 0 BDADMP c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000566678683 326073647 /nfs/dbraw/zinc/07/36/47/326073647.db2.gz HUTUVBAVGQGXMM-VXGBXAGGSA-N 2 1 235.331 1.496 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]C1 ZINC000566973400 326098613 /nfs/dbraw/zinc/09/86/13/326098613.db2.gz KLDCXWUEBOLYLG-AGIUHOORSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)[NH2+]Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000567292555 326156812 /nfs/dbraw/zinc/15/68/12/326156812.db2.gz TVUGAOORLCCQCI-UHFFFAOYSA-N 2 1 238.335 1.686 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)o1 ZINC000567645945 326237972 /nfs/dbraw/zinc/23/79/72/326237972.db2.gz LAMORFKILDFUEE-AAEUAGOBSA-N 2 1 222.332 1.861 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000567748229 326254949 /nfs/dbraw/zinc/25/49/49/326254949.db2.gz OLZJTPSJOFXCSV-GHMZBOCLSA-N 2 1 242.363 1.387 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000567899545 326279827 /nfs/dbraw/zinc/27/98/27/326279827.db2.gz DKPGMMGVHRYUTC-LBPRGKRZSA-N 2 1 219.332 1.310 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000158268755 326314124 /nfs/dbraw/zinc/31/41/24/326314124.db2.gz ZDFKSALIRNTBNL-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000158915530 326346106 /nfs/dbraw/zinc/34/61/06/326346106.db2.gz BGXGHNSZHSOVAP-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000568856593 326379506 /nfs/dbraw/zinc/37/95/06/326379506.db2.gz AHSYPFYPJULYFM-IGQOVBAYSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235482459 487972521 /nfs/dbraw/zinc/97/25/21/487972521.db2.gz MFCMCFIFFFSELA-VXGBXAGGSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[NH2+]1 ZINC000235709312 488011202 /nfs/dbraw/zinc/01/12/02/488011202.db2.gz IDOZEGXSKGZWKG-VHSXEESVSA-N 2 1 235.335 1.095 20 0 BDADMP COC1CCN(Cc2cnc(C)n2C)CC1 ZINC000667491911 488025466 /nfs/dbraw/zinc/02/54/66/488025466.db2.gz MGJWOVADNRNMKR-UHFFFAOYSA-N 2 1 223.320 1.339 20 0 BDADMP CC(C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000147569565 488036886 /nfs/dbraw/zinc/03/68/86/488036886.db2.gz QSXNNEAJHQEHIF-UHFFFAOYSA-N 2 1 212.337 1.191 20 0 BDADMP CC[C@H](O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230026385 488038399 /nfs/dbraw/zinc/03/83/99/488038399.db2.gz VICAYMJGHVEFFU-AWEZNQCLSA-N 2 1 236.359 1.608 20 0 BDADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)on1 ZINC000677475161 488045708 /nfs/dbraw/zinc/04/57/08/488045708.db2.gz XTBWVXOLMHXZLY-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)on1 ZINC000677475161 488045715 /nfs/dbraw/zinc/04/57/15/488045715.db2.gz XTBWVXOLMHXZLY-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)on1 ZINC000677475161 488045721 /nfs/dbraw/zinc/04/57/21/488045721.db2.gz XTBWVXOLMHXZLY-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)on1 ZINC000677475161 488045726 /nfs/dbraw/zinc/04/57/26/488045726.db2.gz XTBWVXOLMHXZLY-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1F ZINC000166043683 488052875 /nfs/dbraw/zinc/05/28/75/488052875.db2.gz HSHPIGGBWBTOFF-SNVBAGLBSA-N 2 1 238.306 1.615 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1F ZINC000166043683 488052877 /nfs/dbraw/zinc/05/28/77/488052877.db2.gz HSHPIGGBWBTOFF-SNVBAGLBSA-N 2 1 238.306 1.615 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H](C[NH+](C)C)C2)n1C ZINC000667628336 488063966 /nfs/dbraw/zinc/06/39/66/488063966.db2.gz BIYSRJCMSFYCDW-GFCCVEGCSA-N 2 1 236.363 1.112 20 0 BDADMP COCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000656200764 488066192 /nfs/dbraw/zinc/06/61/92/488066192.db2.gz PZWNMLUJCDQRIX-SNVBAGLBSA-N 2 1 235.331 1.571 20 0 BDADMP CN(C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@@H]21)C1CC1 ZINC000355067446 488076404 /nfs/dbraw/zinc/07/64/04/488076404.db2.gz KJWPWVGIKHERAK-XBFCOCLRSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21)C1CC1 ZINC000355067446 488076405 /nfs/dbraw/zinc/07/64/05/488076405.db2.gz KJWPWVGIKHERAK-XBFCOCLRSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21)C1CC1 ZINC000355067446 488076406 /nfs/dbraw/zinc/07/64/06/488076406.db2.gz KJWPWVGIKHERAK-XBFCOCLRSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@@H]21)C1CC1 ZINC000355067446 488076407 /nfs/dbraw/zinc/07/64/07/488076407.db2.gz KJWPWVGIKHERAK-XBFCOCLRSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@@H]21)C1CC1 ZINC000355067446 488076409 /nfs/dbraw/zinc/07/64/09/488076409.db2.gz KJWPWVGIKHERAK-XBFCOCLRSA-N 2 1 238.375 1.316 20 0 BDADMP CC(C)C([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000685573662 488080395 /nfs/dbraw/zinc/08/03/95/488080395.db2.gz BEWLVBRWCUCKGV-ZDUSSCGKSA-N 2 1 242.407 1.712 20 0 BDADMP CC(C)C([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000685573662 488080401 /nfs/dbraw/zinc/08/04/01/488080401.db2.gz BEWLVBRWCUCKGV-ZDUSSCGKSA-N 2 1 242.407 1.712 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000236712965 488082936 /nfs/dbraw/zinc/08/29/36/488082936.db2.gz ISWFAMIELSFRKH-GFCCVEGCSA-N 2 1 243.395 1.208 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000236711035 488083016 /nfs/dbraw/zinc/08/30/16/488083016.db2.gz OIXUFFGTQZYXKF-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000230316197 488084141 /nfs/dbraw/zinc/08/41/41/488084141.db2.gz HTZJHBAXRVSPNQ-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1ncc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)n1C ZINC000667696512 488090099 /nfs/dbraw/zinc/09/00/99/488090099.db2.gz YPMMWFGRBIGJJH-WCQYABFASA-N 2 1 237.347 1.321 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)n1C ZINC000667695034 488090477 /nfs/dbraw/zinc/09/04/77/488090477.db2.gz HLPCBPGHOHEJSD-TZMCWYRMSA-N 2 1 249.358 1.729 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000310222026 488107647 /nfs/dbraw/zinc/10/76/47/488107647.db2.gz GDIOVPLDUPKHDC-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000310222026 488107651 /nfs/dbraw/zinc/10/76/51/488107651.db2.gz GDIOVPLDUPKHDC-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC2(CCC2)C1 ZINC000310222026 488107656 /nfs/dbraw/zinc/10/76/56/488107656.db2.gz GDIOVPLDUPKHDC-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000226537553 488110788 /nfs/dbraw/zinc/11/07/88/488110788.db2.gz SPJDVLDEMCRTLK-GVXVVHGQSA-N 2 1 219.332 1.812 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403240762 488118952 /nfs/dbraw/zinc/11/89/52/488118952.db2.gz RALRTLSGMTUDLK-MROQNXINSA-N 2 1 208.349 1.703 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667794324 488122544 /nfs/dbraw/zinc/12/25/44/488122544.db2.gz DYYYGYRHUDHKIW-KGLIPLIRSA-N 2 1 249.358 1.739 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOCc1ccccc1 ZINC000309747377 487540793 /nfs/dbraw/zinc/54/07/93/487540793.db2.gz UWJHTLMVDPEMDA-DZGCQCFKSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000121242946 490080174 /nfs/dbraw/zinc/08/01/74/490080174.db2.gz LMAWHYNLKLPDIC-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000121242946 490080181 /nfs/dbraw/zinc/08/01/81/490080181.db2.gz LMAWHYNLKLPDIC-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000121242946 490080186 /nfs/dbraw/zinc/08/01/86/490080186.db2.gz LMAWHYNLKLPDIC-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP CCc1nn(C)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000168872421 487549014 /nfs/dbraw/zinc/54/90/14/487549014.db2.gz QUEPPWJYPIAOGE-UHFFFAOYSA-N 2 1 238.379 1.399 20 0 BDADMP CCc1nn(C)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000168872421 487549019 /nfs/dbraw/zinc/54/90/19/487549019.db2.gz QUEPPWJYPIAOGE-UHFFFAOYSA-N 2 1 238.379 1.399 20 0 BDADMP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674300697 487553361 /nfs/dbraw/zinc/55/33/61/487553361.db2.gz DWTZPQWBSDIKAE-CYBMUJFWSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+](CCC1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000258861327 488140276 /nfs/dbraw/zinc/14/02/76/488140276.db2.gz ISVKKELTORIROK-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@H](C[N@@H+](C)C1CC[NH2+]CC1)C1CCC1 ZINC000662238814 487471455 /nfs/dbraw/zinc/47/14/55/487471455.db2.gz XIYIKSZMKPADIW-CYBMUJFWSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000161237226 487486456 /nfs/dbraw/zinc/48/64/56/487486456.db2.gz MUYFGUUMSOLHOZ-LLVKDONJSA-N 2 1 220.316 1.362 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000381056777 487497327 /nfs/dbraw/zinc/49/73/27/487497327.db2.gz JMYHSNHFYMYERL-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000381056777 487497332 /nfs/dbraw/zinc/49/73/32/487497332.db2.gz JMYHSNHFYMYERL-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000381056777 487497334 /nfs/dbraw/zinc/49/73/34/487497334.db2.gz JMYHSNHFYMYERL-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC2(CCC2)C1 ZINC000381056777 487497337 /nfs/dbraw/zinc/49/73/37/487497337.db2.gz JMYHSNHFYMYERL-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000324046157 487501863 /nfs/dbraw/zinc/50/18/63/487501863.db2.gz XJRCBYXVQQEFNV-ZIAGYGMSSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000324046157 487501866 /nfs/dbraw/zinc/50/18/66/487501866.db2.gz XJRCBYXVQQEFNV-ZIAGYGMSSA-N 2 1 240.391 1.466 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000334326123 487501848 /nfs/dbraw/zinc/50/18/48/487501848.db2.gz BNCCJMIPUXWHDR-HNNXBMFYSA-N 2 1 245.370 1.844 20 0 BDADMP FC1(F)C[C@H]1OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266947 487505538 /nfs/dbraw/zinc/50/55/38/487505538.db2.gz QYPDPWQJLGPRME-MNOVXSKESA-N 2 1 246.301 1.096 20 0 BDADMP FC1(F)C[C@H]1OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266947 487505544 /nfs/dbraw/zinc/50/55/44/487505544.db2.gz QYPDPWQJLGPRME-MNOVXSKESA-N 2 1 246.301 1.096 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334438858 487515437 /nfs/dbraw/zinc/51/54/37/487515437.db2.gz KKJDXHYRLVWEQS-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334438858 487515441 /nfs/dbraw/zinc/51/54/41/487515441.db2.gz KKJDXHYRLVWEQS-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP CO[C@H](C[N@@H+](C)C1CC([NH3+])C1)C1CCC1 ZINC000662274131 487522872 /nfs/dbraw/zinc/52/28/72/487522872.db2.gz RFJAQRSGVJCOEW-HTAVTVPLSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1C ZINC000178310571 487609845 /nfs/dbraw/zinc/60/98/45/487609845.db2.gz HQWIWPUHCWDLNV-CLPYTZEMSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1C ZINC000178310571 487609850 /nfs/dbraw/zinc/60/98/50/487609850.db2.gz HQWIWPUHCWDLNV-CLPYTZEMSA-N 2 1 224.348 1.379 20 0 BDADMP c1cc2cnccc2c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000666939749 487908694 /nfs/dbraw/zinc/90/86/94/487908694.db2.gz KLLTYESMMFGPQZ-FICVDOATSA-N 2 1 239.322 1.542 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000667885439 488147771 /nfs/dbraw/zinc/14/77/71/488147771.db2.gz RDFDLWYRXITRNA-ZRJCITRHSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)CC[N@H+]1C ZINC000667885439 488147776 /nfs/dbraw/zinc/14/77/76/488147776.db2.gz RDFDLWYRXITRNA-ZRJCITRHSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000379801389 488150693 /nfs/dbraw/zinc/15/06/93/488150693.db2.gz MPXQIIOOWQZOFX-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H](CO)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000678043406 488178074 /nfs/dbraw/zinc/17/80/74/488178074.db2.gz CETILBKSRGGCDZ-TZMCWYRMSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@@H](CO)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000678043406 488178079 /nfs/dbraw/zinc/17/80/79/488178079.db2.gz CETILBKSRGGCDZ-TZMCWYRMSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@@H](CO)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000678043406 488178085 /nfs/dbraw/zinc/17/80/85/488178085.db2.gz CETILBKSRGGCDZ-TZMCWYRMSA-N 2 1 240.391 1.279 20 0 BDADMP c1nc(C2CC2)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000683832170 488229792 /nfs/dbraw/zinc/22/97/92/488229792.db2.gz QDDNLOBCADYYMY-QWRGUYRKSA-N 2 1 249.383 1.672 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000683844600 488231562 /nfs/dbraw/zinc/23/15/62/488231562.db2.gz SCTJIBILGJNQDO-BETUJISGSA-N 2 1 232.327 1.386 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000683844600 488231563 /nfs/dbraw/zinc/23/15/63/488231563.db2.gz SCTJIBILGJNQDO-BETUJISGSA-N 2 1 232.327 1.386 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000683844600 488231564 /nfs/dbraw/zinc/23/15/64/488231564.db2.gz SCTJIBILGJNQDO-BETUJISGSA-N 2 1 232.327 1.386 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000683844600 488231565 /nfs/dbraw/zinc/23/15/65/488231565.db2.gz SCTJIBILGJNQDO-BETUJISGSA-N 2 1 232.327 1.386 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)Cc2cn[nH]c2)C[C@H]1C ZINC000678277142 488235842 /nfs/dbraw/zinc/23/58/42/488235842.db2.gz RLTIHDYIUBTOIH-YPMHNXCESA-N 2 1 236.363 1.714 20 0 BDADMP C[C@H](CCN(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000049553833 488303849 /nfs/dbraw/zinc/30/38/49/488303849.db2.gz BRXAUJAPKFRAQY-CHWSQXEVSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000383723842 490200604 /nfs/dbraw/zinc/20/06/04/490200604.db2.gz YVWFAUSKVNIABO-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)n1cc(C[N@H+](C)CC2CN(C)C2)cn1 ZINC000668540152 490357819 /nfs/dbraw/zinc/35/78/19/490357819.db2.gz XZLJMUDEHREHSF-UHFFFAOYSA-N 2 1 236.363 1.457 20 0 BDADMP CC(C)n1cc(C[N@@H+](C)CC2CN(C)C2)cn1 ZINC000668540152 490357823 /nfs/dbraw/zinc/35/78/23/490357823.db2.gz XZLJMUDEHREHSF-UHFFFAOYSA-N 2 1 236.363 1.457 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000362323917 490509171 /nfs/dbraw/zinc/50/91/71/490509171.db2.gz ODBHAFLIKBVJML-STQMWFEESA-N 2 1 237.347 1.510 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000383740015 491090555 /nfs/dbraw/zinc/09/05/55/491090555.db2.gz IDYGMBAKTWMGNB-HZSPNIEDSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000383740015 491090556 /nfs/dbraw/zinc/09/05/56/491090556.db2.gz IDYGMBAKTWMGNB-HZSPNIEDSA-N 2 1 240.391 1.419 20 0 BDADMP CCc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc(C)[nH+]1 ZINC000090323098 491124382 /nfs/dbraw/zinc/12/43/82/491124382.db2.gz ILFCKIARZMRQOK-GHMZBOCLSA-N 2 1 232.331 1.003 20 0 BDADMP Cc1cccnc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000223291579 491135404 /nfs/dbraw/zinc/13/54/04/491135404.db2.gz VANCZYXBLHTIBJ-STQMWFEESA-N 2 1 233.359 1.962 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C1CSC1 ZINC000308692059 491137799 /nfs/dbraw/zinc/13/77/99/491137799.db2.gz KIFMTNAWQJPORK-UHFFFAOYSA-N 2 1 211.334 1.287 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CC1(C)CC1 ZINC000309091655 491144607 /nfs/dbraw/zinc/14/46/07/491144607.db2.gz CKFVWXWIMWXECP-UHFFFAOYSA-N 2 1 207.321 1.971 20 0 BDADMP C[C@H]([NH2+]CCOCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000400502387 533859390 /nfs/dbraw/zinc/85/93/90/533859390.db2.gz IWIDMVNSZDVWHI-JQWIXIFHSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@H]1C ZINC000495049314 533943270 /nfs/dbraw/zinc/94/32/70/533943270.db2.gz KUAFBGLAFJWTRA-AGIUHOORSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000400358531 533989632 /nfs/dbraw/zinc/98/96/32/533989632.db2.gz BFVOKIRQKHPTGC-IGQOVBAYSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000400562496 534077565 /nfs/dbraw/zinc/07/75/65/534077565.db2.gz IAOIYJJKTMDZLR-GMXVVIOVSA-N 2 1 225.380 1.199 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000217614926 536357873 /nfs/dbraw/zinc/35/78/73/536357873.db2.gz LGHIGZXFUQWJOZ-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CO)C1 ZINC000217614926 536357878 /nfs/dbraw/zinc/35/78/78/536357878.db2.gz LGHIGZXFUQWJOZ-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261852112 534613869 /nfs/dbraw/zinc/61/38/69/534613869.db2.gz BGMRCRFMYTVLTA-YNEHKIRRSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000238851047 525728273 /nfs/dbraw/zinc/72/82/73/525728273.db2.gz DUQNWNUTORGVJR-WISYIIOYSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)CCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400446582 527760282 /nfs/dbraw/zinc/76/02/82/527760282.db2.gz NSRVWVBUZKUVTR-QWHCGFSZSA-N 2 1 228.380 1.779 20 0 BDADMP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400371795 527977169 /nfs/dbraw/zinc/97/71/69/527977169.db2.gz HBNWEHHZYOCGNJ-WDEREUQCSA-N 2 1 200.326 1.142 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400551016 528823795 /nfs/dbraw/zinc/82/37/95/528823795.db2.gz XNPGPEOOHWBGTA-NWDGAFQWSA-N 2 1 213.369 1.057 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000226338992 535002820 /nfs/dbraw/zinc/00/28/20/535002820.db2.gz FWPKUXLHASIMMX-OLZOCXBDSA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000226338992 535002827 /nfs/dbraw/zinc/00/28/27/535002827.db2.gz FWPKUXLHASIMMX-OLZOCXBDSA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000226338992 535002831 /nfs/dbraw/zinc/00/28/31/535002831.db2.gz FWPKUXLHASIMMX-OLZOCXBDSA-N 3 1 227.396 1.434 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000250491765 535011693 /nfs/dbraw/zinc/01/16/93/535011693.db2.gz HHZSKLWNHDFVEZ-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250491765 535011694 /nfs/dbraw/zinc/01/16/94/535011694.db2.gz HHZSKLWNHDFVEZ-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250491765 535011695 /nfs/dbraw/zinc/01/16/95/535011695.db2.gz HHZSKLWNHDFVEZ-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP CCCCC[N@@H+](CCO)CC1CC[NH2+]CC1 ZINC000178957080 535042378 /nfs/dbraw/zinc/04/23/78/535042378.db2.gz FHMRJUWWPFLIEE-UHFFFAOYSA-N 2 1 228.380 1.471 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[S@](C)=O)CC1 ZINC000164406579 535161372 /nfs/dbraw/zinc/16/13/72/535161372.db2.gz OJZLXLJGIQLWAP-MEDUHNTESA-N 2 1 246.420 1.216 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000226594208 535590063 /nfs/dbraw/zinc/59/00/63/535590063.db2.gz YSDCGXRAHJKAOT-AVGNSLFASA-N 2 1 228.380 1.874 20 0 BDADMP CCOCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169239108 535627180 /nfs/dbraw/zinc/62/71/80/535627180.db2.gz BMYCLBGATCPPJK-STQMWFEESA-N 2 1 220.316 1.757 20 0 BDADMP CCC[C@]1(CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262016174 535768127 /nfs/dbraw/zinc/76/81/27/535768127.db2.gz VROLVXUSWOCYQJ-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)CCO1 ZINC000262061738 535900211 /nfs/dbraw/zinc/90/02/11/535900211.db2.gz RESPPVNJCSEIKK-UMSGYPCISA-N 2 1 226.364 1.471 20 0 BDADMP CCc1nc(N2CC[C@H](C[NH2+]C)C2)cc(C)[nH+]1 ZINC000261564636 536125272 /nfs/dbraw/zinc/12/52/72/536125272.db2.gz XTZOYWFWNDTALD-LLVKDONJSA-N 2 1 234.347 1.393 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2=CCCOC2)CC1 ZINC000336138898 536135825 /nfs/dbraw/zinc/13/58/25/536135825.db2.gz SRTQKIAPNVFTLN-AWEZNQCLSA-N 2 1 238.375 1.749 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CO)C1 ZINC000217614926 536357871 /nfs/dbraw/zinc/35/78/71/536357871.db2.gz LGHIGZXFUQWJOZ-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000335901307 536381567 /nfs/dbraw/zinc/38/15/67/536381567.db2.gz XEKNDRKJRCSNER-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000335901307 536381568 /nfs/dbraw/zinc/38/15/68/536381568.db2.gz XEKNDRKJRCSNER-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000335901307 536381570 /nfs/dbraw/zinc/38/15/70/536381570.db2.gz XEKNDRKJRCSNER-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP COc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000261558454 537048912 /nfs/dbraw/zinc/04/89/12/537048912.db2.gz SLBINMGNPDSCTH-WCQYABFASA-N 2 1 234.343 1.783 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C1CCCC1 ZINC000852744319 583016453 /nfs/dbraw/zinc/01/64/53/583016453.db2.gz YIQGFIHCBLVXAL-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP CCCSC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000893605932 583172088 /nfs/dbraw/zinc/17/20/88/583172088.db2.gz LCWTZIWYWHURDO-RYUDHWBXSA-N 2 1 246.420 1.174 20 0 BDADMP CCCSC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000893605932 583172092 /nfs/dbraw/zinc/17/20/92/583172092.db2.gz LCWTZIWYWHURDO-RYUDHWBXSA-N 2 1 246.420 1.174 20 0 BDADMP c1cc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)co1 ZINC000112839211 588818615 /nfs/dbraw/zinc/81/86/15/588818615.db2.gz TVJUSGJUPREALY-OLZOCXBDSA-N 2 1 236.315 1.232 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000804797928 582559330 /nfs/dbraw/zinc/55/93/30/582559330.db2.gz RKRVQWZPBIMZCJ-NSHDSACASA-N 2 1 205.305 1.612 20 0 BDADMP Cc1cc(NC[C@H]2CCC[N@H+](C)C2)nc(N)[nH+]1 ZINC000113552496 588843569 /nfs/dbraw/zinc/84/35/69/588843569.db2.gz BSCODHDUXJYIDO-SNVBAGLBSA-N 2 1 235.335 1.121 20 0 BDADMP Cc1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000892251871 582813080 /nfs/dbraw/zinc/81/30/80/582813080.db2.gz KYOQPZTVJMRHNM-IYBDPMFKSA-N 2 1 244.382 1.997 20 0 BDADMP CC(C)NC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041720 582839256 /nfs/dbraw/zinc/83/92/56/582839256.db2.gz VPHQUGSMNROAPE-NSHDSACASA-N 2 1 226.368 1.241 20 0 BDADMP CNc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc[nH+]1 ZINC000892345725 582863552 /nfs/dbraw/zinc/86/35/52/582863552.db2.gz RYNRWIZWSCMLGJ-JTQLQIEISA-N 2 1 235.335 1.270 20 0 BDADMP Cc1cc(F)ncc1C[NH2+]CCC[NH+](C)C ZINC000892429461 582885671 /nfs/dbraw/zinc/88/56/71/582885671.db2.gz KOEDZNXHMGUHIK-UHFFFAOYSA-N 2 1 225.311 1.570 20 0 BDADMP CCn1cc(C[NH2+]CCn2cc[nH+]c2C)c(C)n1 ZINC000892757845 582976995 /nfs/dbraw/zinc/97/69/95/582976995.db2.gz KRFPPXPHZIDKEE-UHFFFAOYSA-N 2 1 247.346 1.506 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[nH+]1 ZINC000892874710 583000808 /nfs/dbraw/zinc/00/08/08/583000808.db2.gz AKNVCDXJNCDIID-VHSXEESVSA-N 2 1 247.346 1.404 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[nH+]1 ZINC000892874710 583000809 /nfs/dbraw/zinc/00/08/09/583000809.db2.gz AKNVCDXJNCDIID-VHSXEESVSA-N 2 1 247.346 1.404 20 0 BDADMP CC[N@H+]1CCN(c2nccn3cncc23)C[C@H]1C ZINC000892971074 583023799 /nfs/dbraw/zinc/02/37/99/583023799.db2.gz NOUGVLLIGVHZQQ-LLVKDONJSA-N 2 1 245.330 1.260 20 0 BDADMP CCN1CCN(c2nccn3cncc23)C[C@H]1C ZINC000892971074 583023800 /nfs/dbraw/zinc/02/38/00/583023800.db2.gz NOUGVLLIGVHZQQ-LLVKDONJSA-N 2 1 245.330 1.260 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)[C@@H](C)O1 ZINC000893888606 583243638 /nfs/dbraw/zinc/24/36/38/583243638.db2.gz KPRGVRGOJDUPGD-JHJVBQTASA-N 2 1 240.391 1.826 20 0 BDADMP CC(C)[C@H](O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000878163170 583364317 /nfs/dbraw/zinc/36/43/17/583364317.db2.gz OLIRJONFFCYOMI-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000878163170 583364320 /nfs/dbraw/zinc/36/43/20/583364320.db2.gz OLIRJONFFCYOMI-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000878163170 583364322 /nfs/dbraw/zinc/36/43/22/583364322.db2.gz OLIRJONFFCYOMI-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000878163170 583364325 /nfs/dbraw/zinc/36/43/25/583364325.db2.gz OLIRJONFFCYOMI-HZSPNIEDSA-N 2 1 242.407 1.808 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000857226501 588895863 /nfs/dbraw/zinc/89/58/63/588895863.db2.gz QDDMBJULAAGOHI-AGIUHOORSA-N 2 1 224.348 1.226 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000894806752 583522638 /nfs/dbraw/zinc/52/26/38/583522638.db2.gz KGKCZOZAIDVVQA-NSHDSACASA-N 2 1 242.363 1.402 20 0 BDADMP c1nc(C[NH2+]CCCCC[NH+]2CCCC2)c[nH]1 ZINC000894860677 583534378 /nfs/dbraw/zinc/53/43/78/583534378.db2.gz USLRQBNUIOUHEA-UHFFFAOYSA-N 2 1 236.363 1.765 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000894860781 583534605 /nfs/dbraw/zinc/53/46/05/583534605.db2.gz GLMYAQCHULIUIW-WCQYABFASA-N 2 1 242.363 1.260 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000894860782 583534754 /nfs/dbraw/zinc/53/47/54/583534754.db2.gz GLMYAQCHULIUIW-YPMHNXCESA-N 2 1 242.363 1.260 20 0 BDADMP Cc1ccnc(N)c1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000895036697 583570327 /nfs/dbraw/zinc/57/03/27/583570327.db2.gz PDXDAAOYOKIGES-LBPRGKRZSA-N 2 1 248.374 1.498 20 0 BDADMP CC1=NO[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000895306243 583643704 /nfs/dbraw/zinc/64/37/04/583643704.db2.gz BLTMTKHPCBJCPT-UPJWGTAASA-N 2 1 237.347 1.368 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000895306243 583643705 /nfs/dbraw/zinc/64/37/05/583643705.db2.gz BLTMTKHPCBJCPT-UPJWGTAASA-N 2 1 237.347 1.368 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000895306243 583643706 /nfs/dbraw/zinc/64/37/06/583643706.db2.gz BLTMTKHPCBJCPT-UPJWGTAASA-N 2 1 237.347 1.368 20 0 BDADMP C[C@H]1[C@H](Nc2cc[nH+]cc2C2CC2)CC[N@H+]1C ZINC000895733911 583717491 /nfs/dbraw/zinc/71/74/91/583717491.db2.gz HOKXQDPLLKCNHG-GXFFZTMASA-N 2 1 231.343 1.885 20 0 BDADMP CCO[C@H](C[NH2+]CCSCC)C[NH+](C)C ZINC000896880251 583845645 /nfs/dbraw/zinc/84/56/45/583845645.db2.gz SBHLBRSUGIINOM-LLVKDONJSA-N 2 1 234.409 1.296 20 0 BDADMP CCO[C@H](C[NH2+]CC1(SC)CC1)C[NH+](C)C ZINC000896879988 583844866 /nfs/dbraw/zinc/84/48/66/583844866.db2.gz KOTABCIZXUTFKU-LLVKDONJSA-N 2 1 246.420 1.438 20 0 BDADMP CCO[C@H](C[NH2+]C[C@](C)(CC)OC)C[NH+](C)C ZINC000896879522 583844919 /nfs/dbraw/zinc/84/49/19/583844919.db2.gz CSZYVKNGZVUOEV-OLZOCXBDSA-N 2 1 246.395 1.358 20 0 BDADMP CC1(C)CC[N@@H+](CCNc2cc[nH+]c(CO)c2)C1 ZINC000897248237 583902224 /nfs/dbraw/zinc/90/22/24/583902224.db2.gz NNDJWEUYHUNMKB-UHFFFAOYSA-N 2 1 249.358 1.718 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]c(CO)c1 ZINC000858348394 588947534 /nfs/dbraw/zinc/94/75/34/588947534.db2.gz AEFBZSVSRXVLOH-GFCCVEGCSA-N 2 1 249.358 1.860 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NCCC1CC1 ZINC000864452963 584005174 /nfs/dbraw/zinc/00/51/74/584005174.db2.gz RDBAAXFCZOIYSC-UHFFFAOYSA-N 2 1 240.395 1.631 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898204286 584091188 /nfs/dbraw/zinc/09/11/88/584091188.db2.gz REZRGNMQWGHNDA-CQSZACIVSA-N 2 1 249.358 1.398 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C2CC2)CC[N@H+]1C ZINC000898200278 584099186 /nfs/dbraw/zinc/09/91/86/584099186.db2.gz VOFOYVRPXZQXPU-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC[C@H]1CCOC1 ZINC000898308108 584109474 /nfs/dbraw/zinc/10/94/74/584109474.db2.gz OICJSVMSPZJBNN-ZDUSSCGKSA-N 2 1 242.407 1.933 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000898308142 584109807 /nfs/dbraw/zinc/10/98/07/584109807.db2.gz PQKFHRZXTJOSBP-ZDUSSCGKSA-N 2 1 242.407 1.933 20 0 BDADMP C[N@@H+]1CC=C(CNc2cc[nH+]c(CO)c2)CC1 ZINC000858466639 588957443 /nfs/dbraw/zinc/95/74/43/588957443.db2.gz KEHCWSMWKPVGPD-UHFFFAOYSA-N 2 1 233.315 1.248 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000873254921 584128323 /nfs/dbraw/zinc/12/83/23/584128323.db2.gz BJMZCZRMJCKUKG-PEDHHIEDSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000873254921 584128324 /nfs/dbraw/zinc/12/83/24/584128324.db2.gz BJMZCZRMJCKUKG-PEDHHIEDSA-N 2 1 237.391 1.186 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899265383 584189776 /nfs/dbraw/zinc/18/97/76/584189776.db2.gz AMYUNEGLYYBXHA-NSHDSACASA-N 2 1 240.395 1.629 20 0 BDADMP C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000899266862 584190120 /nfs/dbraw/zinc/19/01/20/584190120.db2.gz IGBMNBSCYHTBRE-GHMZBOCLSA-N 2 1 238.379 1.241 20 0 BDADMP C[C@@H](Cc1[nH]cc[nH+]1)OC[C@@H]1CCCC[NH2+]C1 ZINC000899629477 584222195 /nfs/dbraw/zinc/22/21/95/584222195.db2.gz HYPUWNVMQRLUDU-NWDGAFQWSA-N 2 1 237.347 1.747 20 0 BDADMP Cc1nc(N[C@H]2C[NH2+]CC2(C)C)c(C)c(C)[nH+]1 ZINC000900020468 584266731 /nfs/dbraw/zinc/26/67/31/584266731.db2.gz AOMFSPBVOUWZNU-NSHDSACASA-N 2 1 234.347 1.812 20 0 BDADMP [NH3+]C1(c2noc([C@]34CC[NH2+][C@H]3CCCC4)n2)CC1 ZINC000900017419 584267111 /nfs/dbraw/zinc/26/71/11/584267111.db2.gz HGILQLBWHHQRAS-JOYOIKCWSA-N 2 1 248.330 1.191 20 0 BDADMP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321352 584552637 /nfs/dbraw/zinc/55/26/37/584552637.db2.gz UVNQKOCWKJPEDI-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321352 584552638 /nfs/dbraw/zinc/55/26/38/584552638.db2.gz UVNQKOCWKJPEDI-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346423 584558087 /nfs/dbraw/zinc/55/80/87/584558087.db2.gz LUBDOMOVEWUYMP-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346423 584558089 /nfs/dbraw/zinc/55/80/89/584558089.db2.gz LUBDOMOVEWUYMP-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(F)c1 ZINC000902416591 584590162 /nfs/dbraw/zinc/59/01/62/584590162.db2.gz UNUCJBYNXFWVSY-SECBINFHSA-N 2 1 208.280 1.968 20 0 BDADMP COc1cccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902416641 584590215 /nfs/dbraw/zinc/59/02/15/584590215.db2.gz VJDRNFIJMULEBC-SNVBAGLBSA-N 2 1 220.316 1.837 20 0 BDADMP [NH3+]C1(C[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000902417536 584591252 /nfs/dbraw/zinc/59/12/52/584591252.db2.gz SKMRWBHAUQLOQH-UHFFFAOYSA-N 2 1 238.375 1.807 20 0 BDADMP [NH3+]C1(C[NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000902418213 584591785 /nfs/dbraw/zinc/59/17/85/584591785.db2.gz WLOSMOQVZQQAEN-UHFFFAOYSA-N 2 1 246.358 1.131 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000902446171 584593692 /nfs/dbraw/zinc/59/36/92/584593692.db2.gz SGDYNZYBLKPIFD-GHMZBOCLSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@H]1C[NH2+]CC1(C)C ZINC000902447273 584604639 /nfs/dbraw/zinc/60/46/39/584604639.db2.gz XUOPLVYDYIWIKS-MNOVXSKESA-N 2 1 213.369 1.092 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000902454166 584608576 /nfs/dbraw/zinc/60/85/76/584608576.db2.gz GPPIJCZPZFFECV-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cncs1 ZINC000902454003 584608583 /nfs/dbraw/zinc/60/85/83/584608583.db2.gz HCOAFTVTARWTJC-HTQZYQBOSA-N 2 1 211.334 1.402 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000902464262 584613092 /nfs/dbraw/zinc/61/30/92/584613092.db2.gz AWJMYYYNLJTCQN-QNSTZXKLSA-N 2 1 238.375 1.673 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902470815 584616804 /nfs/dbraw/zinc/61/68/04/584616804.db2.gz HEYJNYPHODZYKI-CLPYTZEMSA-N 2 1 238.375 1.673 20 0 BDADMP N[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2ccccc21 ZINC000902490106 584617150 /nfs/dbraw/zinc/61/71/50/584617150.db2.gz SDZMIULOZYXGBP-NUZBWSBOSA-N 2 1 231.343 1.458 20 0 BDADMP [NH3+]C[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000902490106 584617152 /nfs/dbraw/zinc/61/71/52/584617152.db2.gz SDZMIULOZYXGBP-NUZBWSBOSA-N 2 1 231.343 1.458 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1c[nH+]ccc1N ZINC000902502910 584620659 /nfs/dbraw/zinc/62/06/59/584620659.db2.gz HKVOAUGYWLVKOK-NOZJJQNGSA-N 2 1 235.331 1.306 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902481227 584623202 /nfs/dbraw/zinc/62/32/02/584623202.db2.gz BSLYEXUGNYJZGO-NWDGAFQWSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)[C@H](C)O1 ZINC000902481736 584623915 /nfs/dbraw/zinc/62/39/15/584623915.db2.gz GHGJJMRYDAPYOT-VOAKCMCISA-N 2 1 226.364 1.674 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902483567 584624903 /nfs/dbraw/zinc/62/49/03/584624903.db2.gz RROSGVJEKRYIII-RYUDHWBXSA-N 2 1 214.353 1.533 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902795646 584673757 /nfs/dbraw/zinc/67/37/57/584673757.db2.gz HVDCQSJKDNTIAN-NQBHXWOUSA-N 2 1 226.364 1.077 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1OC ZINC000903067368 584723137 /nfs/dbraw/zinc/72/31/37/584723137.db2.gz SEORFMNHNWIYRG-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](C)C1 ZINC000903302881 584745312 /nfs/dbraw/zinc/74/53/12/584745312.db2.gz HJKBOWIGJPBIIA-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](C)C1 ZINC000903302881 584745313 /nfs/dbraw/zinc/74/53/13/584745313.db2.gz HJKBOWIGJPBIIA-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](C)C1 ZINC000903302881 584745314 /nfs/dbraw/zinc/74/53/14/584745314.db2.gz HJKBOWIGJPBIIA-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2C)[C@@H](C)C1 ZINC000903302881 584745316 /nfs/dbraw/zinc/74/53/16/584745316.db2.gz HJKBOWIGJPBIIA-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2C)[C@@H](C)C1 ZINC000903302881 584745317 /nfs/dbraw/zinc/74/53/17/584745317.db2.gz HJKBOWIGJPBIIA-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC000903302883 584745458 /nfs/dbraw/zinc/74/54/58/584745458.db2.gz HJKBOWIGJPBIIA-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000903302883 584745459 /nfs/dbraw/zinc/74/54/59/584745459.db2.gz HJKBOWIGJPBIIA-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000903302883 584745460 /nfs/dbraw/zinc/74/54/60/584745460.db2.gz HJKBOWIGJPBIIA-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2C)[C@H](C)C1 ZINC000903302883 584745461 /nfs/dbraw/zinc/74/54/61/584745461.db2.gz HJKBOWIGJPBIIA-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2C)[C@H](C)C1 ZINC000903302883 584745462 /nfs/dbraw/zinc/74/54/62/584745462.db2.gz HJKBOWIGJPBIIA-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]2C)[C@@H](C)C1 ZINC000903302882 584745512 /nfs/dbraw/zinc/74/55/12/584745512.db2.gz HJKBOWIGJPBIIA-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H]2C)[C@@H](C)C1 ZINC000903302882 584745513 /nfs/dbraw/zinc/74/55/13/584745513.db2.gz HJKBOWIGJPBIIA-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H]2C)[C@@H](C)C1 ZINC000903302882 584745514 /nfs/dbraw/zinc/74/55/14/584745514.db2.gz HJKBOWIGJPBIIA-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]2C)[C@@H](C)C1 ZINC000903302882 584745515 /nfs/dbraw/zinc/74/55/15/584745515.db2.gz HJKBOWIGJPBIIA-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]2C)[C@@H](C)C1 ZINC000903302882 584745516 /nfs/dbraw/zinc/74/55/16/584745516.db2.gz HJKBOWIGJPBIIA-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000903430773 584761361 /nfs/dbraw/zinc/76/13/61/584761361.db2.gz ASROMNSAMZYJHW-AGIUHOORSA-N 2 1 248.374 1.445 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](C[C@@H]2CCOC2)C2CC2)C1 ZINC000903431693 584762284 /nfs/dbraw/zinc/76/22/84/584762284.db2.gz VNOXCAOXFUEOJB-RWMBFGLXSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421710 584764009 /nfs/dbraw/zinc/76/40/09/584764009.db2.gz RXNWGNSCCPXBBY-RNJOBUHISA-N 2 1 225.380 1.316 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421710 584764010 /nfs/dbraw/zinc/76/40/10/584764010.db2.gz RXNWGNSCCPXBBY-RNJOBUHISA-N 2 1 225.380 1.316 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444981 584769244 /nfs/dbraw/zinc/76/92/44/584769244.db2.gz HDDBTAGTXUASKK-RDBSUJKOSA-N 2 1 239.407 1.116 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444981 584769245 /nfs/dbraw/zinc/76/92/45/584769245.db2.gz HDDBTAGTXUASKK-RDBSUJKOSA-N 3 1 239.407 1.116 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444981 584769246 /nfs/dbraw/zinc/76/92/46/584769246.db2.gz HDDBTAGTXUASKK-RDBSUJKOSA-N 3 1 239.407 1.116 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444981 584769247 /nfs/dbraw/zinc/76/92/47/584769247.db2.gz HDDBTAGTXUASKK-RDBSUJKOSA-N 3 1 239.407 1.116 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444981 584769248 /nfs/dbraw/zinc/76/92/48/584769248.db2.gz HDDBTAGTXUASKK-RDBSUJKOSA-N 3 1 239.407 1.116 20 0 BDADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000903447051 584770641 /nfs/dbraw/zinc/77/06/41/584770641.db2.gz BSKUCECNUGBZSW-LBPRGKRZSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000903452851 584772494 /nfs/dbraw/zinc/77/24/94/584772494.db2.gz STAWORLLMGOBJU-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000903452851 584772496 /nfs/dbraw/zinc/77/24/96/584772496.db2.gz STAWORLLMGOBJU-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OC1CC1 ZINC000903454452 584773631 /nfs/dbraw/zinc/77/36/31/584773631.db2.gz ZWSXQYQELAFJEZ-OCCSQVGLSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1ccns1 ZINC000903455558 584774282 /nfs/dbraw/zinc/77/42/82/584774282.db2.gz ZUMYBPPEWZWEIR-JFGNBEQYSA-N 2 1 239.388 1.662 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCO1 ZINC000903473107 584776370 /nfs/dbraw/zinc/77/63/70/584776370.db2.gz ZWNMRPDFWXRCOY-RYUDHWBXSA-N 2 1 224.348 1.430 20 0 BDADMP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH2+]1 ZINC000903476014 584776870 /nfs/dbraw/zinc/77/68/70/584776870.db2.gz KVNIEFJFOTUUEG-CPIKKWJDSA-N 2 1 238.375 1.364 20 0 BDADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH2+]1 ZINC000903476014 584776871 /nfs/dbraw/zinc/77/68/71/584776871.db2.gz KVNIEFJFOTUUEG-CPIKKWJDSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1C[NH3+] ZINC000903476844 584777419 /nfs/dbraw/zinc/77/74/19/584777419.db2.gz LRWIZFQYKGFPDK-PZWNZHSQSA-N 2 1 244.329 1.804 20 0 BDADMP Cn1nccc1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481897 584777767 /nfs/dbraw/zinc/77/77/67/584777767.db2.gz PQGYBUPOLKLMDT-ZDUSSCGKSA-N 2 1 248.374 1.227 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCCO1 ZINC000903482233 584778742 /nfs/dbraw/zinc/77/87/42/584778742.db2.gz ZOVDBRFZYFQYHN-STQMWFEESA-N 2 1 238.375 1.820 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)nn1 ZINC000903482848 584778889 /nfs/dbraw/zinc/77/88/89/584778889.db2.gz VONUMFCXRNFJJI-VXGBXAGGSA-N 2 1 234.347 1.309 20 0 BDADMP CCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485118 584779440 /nfs/dbraw/zinc/77/94/40/584779440.db2.gz IOGCFJRDLRMZSD-NSHDSACASA-N 2 1 212.337 1.287 20 0 BDADMP CCOC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484247 584779483 /nfs/dbraw/zinc/77/94/83/584779483.db2.gz PYLMIDKZCGMXLE-NSHDSACASA-N 2 1 240.347 1.204 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498494 584779794 /nfs/dbraw/zinc/77/97/94/584779794.db2.gz IEPCBHKKBVJQKM-IJLUTSLNSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@]23CCOC3)C[C@H]1CC[NH3+] ZINC000903499328 584779931 /nfs/dbraw/zinc/77/99/31/584779931.db2.gz RGMYHWLZVJEYLH-AAVRWANBSA-N 2 1 238.375 1.330 20 0 BDADMP COc1c(C)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000841077234 584781301 /nfs/dbraw/zinc/78/13/01/584781301.db2.gz FLGVCAZYRAEJEN-WDNDVIMCSA-N 2 1 246.354 1.619 20 0 BDADMP CNC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCO[C@H]1C ZINC000903527082 584781619 /nfs/dbraw/zinc/78/16/19/584781619.db2.gz SERPOARXLRYREP-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP CNC[C@@H]1CCCC[N@H+]1C[C@@H]1CCO[C@H]1C ZINC000903527082 584781620 /nfs/dbraw/zinc/78/16/20/584781620.db2.gz SERPOARXLRYREP-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1N ZINC000903558875 584783093 /nfs/dbraw/zinc/78/30/93/584783093.db2.gz SFSKPGPOTJFZLK-NWDGAFQWSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)CN(CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903558875 584783094 /nfs/dbraw/zinc/78/30/94/584783094.db2.gz SFSKPGPOTJFZLK-NWDGAFQWSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903558875 584783095 /nfs/dbraw/zinc/78/30/95/584783095.db2.gz SFSKPGPOTJFZLK-NWDGAFQWSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903558875 584783096 /nfs/dbraw/zinc/78/30/96/584783096.db2.gz SFSKPGPOTJFZLK-NWDGAFQWSA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCOC2CCSCC2)C1 ZINC000903717096 584792059 /nfs/dbraw/zinc/79/20/59/584792059.db2.gz ZONVXYZCMAPKCW-LLVKDONJSA-N 2 1 244.404 1.179 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903717950 584792214 /nfs/dbraw/zinc/79/22/14/584792214.db2.gz GKDUGBOBMJOXBM-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730643 584792901 /nfs/dbraw/zinc/79/29/01/584792901.db2.gz YFSJDLDJZAHMKL-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000903761588 584797071 /nfs/dbraw/zinc/79/70/71/584797071.db2.gz WUKAGLPOAVZZBD-POOIEITISA-N 2 1 210.365 1.949 20 0 BDADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000903767139 584798033 /nfs/dbraw/zinc/79/80/33/584798033.db2.gz UQPKHBWTWJKSOT-XUXIUFHCSA-N 2 1 236.359 1.097 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767190 584798346 /nfs/dbraw/zinc/79/83/46/584798346.db2.gz FFNNBRUJRLMCHR-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP FC[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903781870 584799895 /nfs/dbraw/zinc/79/98/95/584799895.db2.gz CCRKTFMLJVZRIL-XQQFMLRXSA-N 2 1 242.338 1.046 20 0 BDADMP Cc1cc(C)nc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000903783238 584800485 /nfs/dbraw/zinc/80/04/85/584800485.db2.gz WRPIHDNAKRRFDC-OLZOCXBDSA-N 2 1 233.359 1.914 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCSC[C@H]1C ZINC000903829844 584805290 /nfs/dbraw/zinc/80/52/90/584805290.db2.gz MGQGBHICKAXACO-SNVBAGLBSA-N 2 1 202.367 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH3+])CCN1c1ccccc1 ZINC000903832873 584806216 /nfs/dbraw/zinc/80/62/16/584806216.db2.gz SDXKFSYSMCWUIA-CYBMUJFWSA-N 2 1 233.359 1.546 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903831644 584806294 /nfs/dbraw/zinc/80/62/94/584806294.db2.gz LTDIPFAPBOJFLN-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccns1)C2 ZINC000903839277 584807353 /nfs/dbraw/zinc/80/73/53/584807353.db2.gz JMVYSWFBFOWDIX-GUBZILKMSA-N 2 1 223.345 1.455 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccns1)C2 ZINC000903839277 584807355 /nfs/dbraw/zinc/80/73/55/584807355.db2.gz JMVYSWFBFOWDIX-GUBZILKMSA-N 2 1 223.345 1.455 20 0 BDADMP COCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903868204 584807525 /nfs/dbraw/zinc/80/75/25/584807525.db2.gz WVKLDGXKDAXCGW-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP COCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903868204 584807526 /nfs/dbraw/zinc/80/75/26/584807526.db2.gz WVKLDGXKDAXCGW-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000903843608 584807563 /nfs/dbraw/zinc/80/75/63/584807563.db2.gz OKMPBCPDQWNQJT-IHRRRGAJSA-N 3 1 237.391 1.188 20 0 BDADMP COCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903868202 584807629 /nfs/dbraw/zinc/80/76/29/584807629.db2.gz WVKLDGXKDAXCGW-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP COCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903868202 584807630 /nfs/dbraw/zinc/80/76/30/584807630.db2.gz WVKLDGXKDAXCGW-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC000903842993 584807636 /nfs/dbraw/zinc/80/76/36/584807636.db2.gz ZYYOEZGZXJLTMK-GAPSTSBFSA-N 2 1 200.713 1.551 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903856575 584808738 /nfs/dbraw/zinc/80/87/38/584808738.db2.gz ADONPZXHGNCRAC-QNWHQSFQSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856575 584808739 /nfs/dbraw/zinc/80/87/39/584808739.db2.gz ADONPZXHGNCRAC-QNWHQSFQSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856575 584808740 /nfs/dbraw/zinc/80/87/40/584808740.db2.gz ADONPZXHGNCRAC-QNWHQSFQSA-N 2 1 224.348 1.225 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2CCCCCCC[NH3+] ZINC000903856642 584809206 /nfs/dbraw/zinc/80/92/06/584809206.db2.gz AWRVPLXTJXSQGR-ZIAGYGMSSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856642 584809207 /nfs/dbraw/zinc/80/92/07/584809207.db2.gz AWRVPLXTJXSQGR-ZIAGYGMSSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856642 584809209 /nfs/dbraw/zinc/80/92/09/584809209.db2.gz AWRVPLXTJXSQGR-ZIAGYGMSSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCC1CC1 ZINC000903860954 584812549 /nfs/dbraw/zinc/81/25/49/584812549.db2.gz VCOMBXNQAXNDDN-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCC1CC1 ZINC000903860954 584812550 /nfs/dbraw/zinc/81/25/50/584812550.db2.gz VCOMBXNQAXNDDN-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861117 584812642 /nfs/dbraw/zinc/81/26/42/584812642.db2.gz VHLSRJFWDZBQRY-YVECIDJPSA-N 2 1 208.349 1.846 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861117 584812643 /nfs/dbraw/zinc/81/26/43/584812643.db2.gz VHLSRJFWDZBQRY-YVECIDJPSA-N 2 1 208.349 1.846 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1CCC1 ZINC000903869320 584814456 /nfs/dbraw/zinc/81/44/56/584814456.db2.gz GWYRBYLOPWVHGK-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CCC1 ZINC000903869320 584814457 /nfs/dbraw/zinc/81/44/57/584814457.db2.gz GWYRBYLOPWVHGK-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1CCC1 ZINC000903869319 584814610 /nfs/dbraw/zinc/81/46/10/584814610.db2.gz GWYRBYLOPWVHGK-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CCC1 ZINC000903869319 584814611 /nfs/dbraw/zinc/81/46/11/584814611.db2.gz GWYRBYLOPWVHGK-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903870338 584814692 /nfs/dbraw/zinc/81/46/92/584814692.db2.gz NDSMPPQTPBJQTF-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903870338 584814693 /nfs/dbraw/zinc/81/46/93/584814693.db2.gz NDSMPPQTPBJQTF-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000903871537 584814982 /nfs/dbraw/zinc/81/49/82/584814982.db2.gz RMEIEHNAPPTCRO-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP CCC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903879686 584817083 /nfs/dbraw/zinc/81/70/83/584817083.db2.gz HGRIAQSRSFBAPW-NSHDSACASA-N 2 1 237.351 1.044 20 0 BDADMP C[C@]1(C2CC2)COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903882493 584817905 /nfs/dbraw/zinc/81/79/05/584817905.db2.gz OEKFEXRELKBKKG-DGCLKSJQSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@]1(C2CC2)COCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903882493 584817907 /nfs/dbraw/zinc/81/79/07/584817907.db2.gz OEKFEXRELKBKKG-DGCLKSJQSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903882492 584817982 /nfs/dbraw/zinc/81/79/82/584817982.db2.gz OEKFEXRELKBKKG-AAEUAGOBSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903882492 584817983 /nfs/dbraw/zinc/81/79/83/584817983.db2.gz OEKFEXRELKBKKG-AAEUAGOBSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903885915 584819112 /nfs/dbraw/zinc/81/91/12/584819112.db2.gz LYMOUANEEFEYDR-NWDGAFQWSA-N 2 1 249.362 1.044 20 0 BDADMP CC(C)C(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903898411 584819595 /nfs/dbraw/zinc/81/95/95/584819595.db2.gz LLPLSJPKHHGWER-QMMMGPOBSA-N 2 1 208.296 1.993 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000903906245 584820967 /nfs/dbraw/zinc/82/09/67/584820967.db2.gz UFEXTVQYRFNESA-LFAHVKQVSA-N 2 1 249.402 1.343 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C)CCN1C[C@H]([NH3+])CC(F)F ZINC000903903560 584821044 /nfs/dbraw/zinc/82/10/44/584821044.db2.gz VRDYRVXZDFZBCC-GHMZBOCLSA-N 2 1 249.349 1.241 20 0 BDADMP C([NH2+][C@@H]1CCCCNC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918866 584823370 /nfs/dbraw/zinc/82/33/70/584823370.db2.gz JMKTYPBNBRDZHX-WTUNAVPPSA-N 2 1 237.391 1.249 20 0 BDADMP [NH3+][C@@H](C[NH2+]CCc1ccc(F)cc1)CC(F)F ZINC000903925638 584823796 /nfs/dbraw/zinc/82/37/96/584823796.db2.gz OYFWTOXCJIVEKD-LLVKDONJSA-N 2 1 246.276 1.940 20 0 BDADMP CC(C)[C@H]1CN(C[C@H]([NH3+])CC(F)F)CC[N@H+]1C ZINC000903937110 584826135 /nfs/dbraw/zinc/82/61/35/584826135.db2.gz BMQJYDUGMDYKAI-GHMZBOCLSA-N 2 1 249.349 1.241 20 0 BDADMP C(N[C@@]12CCC[C@H]1[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937133 584826313 /nfs/dbraw/zinc/82/63/13/584826313.db2.gz BYAHIAWSJNVMRW-ARQSVGKCSA-N 2 1 249.402 1.391 20 0 BDADMP Cn1c(C[NH2+]CCC(C)(C)[NH3+])nc2ccccc21 ZINC000903938501 584826551 /nfs/dbraw/zinc/82/65/51/584826551.db2.gz DYLHSOHNSFYOID-UHFFFAOYSA-N 2 1 246.358 1.790 20 0 BDADMP CCC(N)(CC)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917070 584826765 /nfs/dbraw/zinc/82/67/65/584826765.db2.gz KJRVZLRBOZLKQG-YHWZYXNKSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939960 584828929 /nfs/dbraw/zinc/82/89/29/584828929.db2.gz RMEHNQKNXBREKU-WDEREUQCSA-N 3 1 213.369 1.234 20 0 BDADMP [NH3+]CCC[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000903947777 584829476 /nfs/dbraw/zinc/82/94/76/584829476.db2.gz HPFCHXZIURTCJU-OLZOCXBDSA-N 2 1 222.307 1.950 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903953336 584831437 /nfs/dbraw/zinc/83/14/37/584831437.db2.gz DCEKGCSXGSXFRI-HZSPNIEDSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975001 584832736 /nfs/dbraw/zinc/83/27/36/584832736.db2.gz YIOSTAOOMYQOFW-STQMWFEESA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cocn2)C[C@H]1CC[NH3+] ZINC000903977697 584833133 /nfs/dbraw/zinc/83/31/33/584833133.db2.gz ADAQHQQDMISWIQ-NXEZZACHSA-N 2 1 209.293 1.091 20 0 BDADMP COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964021 584833979 /nfs/dbraw/zinc/83/39/79/584833979.db2.gz FFUHRSPPQZTZRA-YPMHNXCESA-N 2 1 234.343 1.640 20 0 BDADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964340 584834033 /nfs/dbraw/zinc/83/40/33/584834033.db2.gz JUKCXLAEJFBZJQ-OCCSQVGLSA-N 2 1 248.370 1.949 20 0 BDADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963909 584834178 /nfs/dbraw/zinc/83/41/78/584834178.db2.gz JEQKGLTUHUKEFC-UHIISALHSA-N 2 1 236.334 1.954 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903986540 584835726 /nfs/dbraw/zinc/83/57/26/584835726.db2.gz LYIKAPZGZMLOCG-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903986540 584835727 /nfs/dbraw/zinc/83/57/27/584835727.db2.gz LYIKAPZGZMLOCG-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2)[C@H]1CN ZINC000904299406 584860560 /nfs/dbraw/zinc/86/05/60/584860560.db2.gz CIIPMJBOAPRUQD-WFASDCNBSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@H]1CN ZINC000904299406 584860561 /nfs/dbraw/zinc/86/05/61/584860561.db2.gz CIIPMJBOAPRUQD-WFASDCNBSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@]1(CN2CCC(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904299826 584860747 /nfs/dbraw/zinc/86/07/47/584860747.db2.gz PGTQGYCHEKERBL-ZDUSSCGKSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904299486 584860895 /nfs/dbraw/zinc/86/08/95/584860895.db2.gz FQGOJEYBISLBHM-SWLSCSKDSA-N 3 1 247.386 1.847 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904299486 584860896 /nfs/dbraw/zinc/86/08/96/584860896.db2.gz FQGOJEYBISLBHM-SWLSCSKDSA-N 3 1 247.386 1.847 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904302067 584862264 /nfs/dbraw/zinc/86/22/64/584862264.db2.gz UTIWNODWIWFPLO-BXUZGUMPSA-N 3 1 233.359 1.314 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](CO)C1 ZINC000904315992 584862711 /nfs/dbraw/zinc/86/27/11/584862711.db2.gz IEPYXLCTGQZQMY-NEPJUHHUSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](CO)C1 ZINC000904315992 584862713 /nfs/dbraw/zinc/86/27/13/584862713.db2.gz IEPYXLCTGQZQMY-NEPJUHHUSA-N 2 1 228.380 1.454 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313686 584863255 /nfs/dbraw/zinc/86/32/55/584863255.db2.gz XUWLIPSLTWQZPH-ZDUSSCGKSA-N 2 1 242.363 1.261 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325190 584865376 /nfs/dbraw/zinc/86/53/76/584865376.db2.gz SECSCLOUIZQHSB-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328242 584865624 /nfs/dbraw/zinc/86/56/24/584865624.db2.gz BSFIKTOZJSTUDJ-MJBXVCDLSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@@H]1O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904329506 584865895 /nfs/dbraw/zinc/86/58/95/584865895.db2.gz ZVRCOBFAWGCDIL-IHRRRGAJSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345812 584868617 /nfs/dbraw/zinc/86/86/17/584868617.db2.gz JISQKYPCSRLYOY-HZSPNIEDSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C1(CO)CC1 ZINC000904361205 584872107 /nfs/dbraw/zinc/87/21/07/584872107.db2.gz XZUBVRFEMRGWDH-JTQLQIEISA-N 2 1 214.353 1.255 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)C1 ZINC000904373205 584873749 /nfs/dbraw/zinc/87/37/49/584873749.db2.gz CJFKADASNBNJCQ-FQUUOJAGSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904374931 584874350 /nfs/dbraw/zinc/87/43/50/584874350.db2.gz YLVKETCQDJEUMD-SDDRHHMPSA-N 3 1 213.369 1.092 20 0 BDADMP CCCCN1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904363823 584874389 /nfs/dbraw/zinc/87/43/89/584874389.db2.gz NVDNJCGEVKRCCG-BETUJISGSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1CO ZINC000904381586 584877022 /nfs/dbraw/zinc/87/70/22/584877022.db2.gz ZERDAMOKVKWUSE-HZSPNIEDSA-N 2 1 240.391 1.326 20 0 BDADMP Nc1ccc2c(c1)OCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904384265 584877129 /nfs/dbraw/zinc/87/71/29/584877129.db2.gz IKILFEGVGMVUQB-GSJFWJNXSA-N 2 1 247.342 1.201 20 0 BDADMP CC(=O)C1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904385117 584877533 /nfs/dbraw/zinc/87/75/33/584877533.db2.gz SRJAADKHOYMNDE-AWEZNQCLSA-N 2 1 238.375 1.677 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@@H]1C[NH3+] ZINC000904410096 584878881 /nfs/dbraw/zinc/87/88/81/584878881.db2.gz AJUSPKUIMTYGGN-WCQYABFASA-N 2 1 234.343 1.809 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@@H]1C[NH3+] ZINC000904409367 584879093 /nfs/dbraw/zinc/87/90/93/584879093.db2.gz AIDYLWFCBLKEBY-DGCLKSJQSA-N 2 1 221.348 1.442 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000838864393 585076448 /nfs/dbraw/zinc/07/64/48/585076448.db2.gz SZDYPKWXFUUUAR-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CC2)[C@H](C)C1 ZINC000838895418 585079182 /nfs/dbraw/zinc/07/91/82/585079182.db2.gz OHMPTSFVEULHKP-XBFCOCLRSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)C2CC2)[C@H](C)C1 ZINC000838895418 585079183 /nfs/dbraw/zinc/07/91/83/585079183.db2.gz OHMPTSFVEULHKP-XBFCOCLRSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)C2CC2)[C@H](C)C1 ZINC000838895418 585079184 /nfs/dbraw/zinc/07/91/84/585079184.db2.gz OHMPTSFVEULHKP-XBFCOCLRSA-N 2 1 240.391 1.419 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CC2)[C@H](C)C1 ZINC000838895416 585079415 /nfs/dbraw/zinc/07/94/15/585079415.db2.gz OHMPTSFVEULHKP-KWCYVHTRSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)C2CC2)[C@H](C)C1 ZINC000838895416 585079416 /nfs/dbraw/zinc/07/94/16/585079416.db2.gz OHMPTSFVEULHKP-KWCYVHTRSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)C2CC2)[C@H](C)C1 ZINC000838895416 585079417 /nfs/dbraw/zinc/07/94/17/585079417.db2.gz OHMPTSFVEULHKP-KWCYVHTRSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886839581 585182846 /nfs/dbraw/zinc/18/28/46/585182846.db2.gz HWYKUZDCSAPKRT-AGIUHOORSA-N 2 1 240.391 1.907 20 0 BDADMP CC[N@H+](CCc1ccccn1)CC(C)(C)[NH3+] ZINC000843060691 585339916 /nfs/dbraw/zinc/33/99/16/585339916.db2.gz LKINFHCQYBLOGS-UHFFFAOYSA-N 2 1 221.348 1.683 20 0 BDADMP CC[N@@H+](CCc1ccccn1)CC(C)(C)[NH3+] ZINC000843060691 585339917 /nfs/dbraw/zinc/33/99/17/585339917.db2.gz LKINFHCQYBLOGS-UHFFFAOYSA-N 2 1 221.348 1.683 20 0 BDADMP CN(CC[NH+]1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000760835390 585398687 /nfs/dbraw/zinc/39/86/87/585398687.db2.gz ZNMBHEWLBVHWCU-CQSZACIVSA-N 2 1 237.391 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000762927275 585439558 /nfs/dbraw/zinc/43/95/58/585439558.db2.gz OMTROAKSCQGSKW-NEPJUHHUSA-N 2 1 205.305 1.676 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000762927275 585439559 /nfs/dbraw/zinc/43/95/59/585439559.db2.gz OMTROAKSCQGSKW-NEPJUHHUSA-N 2 1 205.305 1.676 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCF)CC[C@@H]21 ZINC000766988925 585512715 /nfs/dbraw/zinc/51/27/15/585512715.db2.gz FRXNWNZSUIEPMG-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCF)CC[C@@H]21 ZINC000766988925 585512716 /nfs/dbraw/zinc/51/27/16/585512716.db2.gz FRXNWNZSUIEPMG-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCF)CC[C@@H]21 ZINC000766988925 585512717 /nfs/dbraw/zinc/51/27/17/585512717.db2.gz FRXNWNZSUIEPMG-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCF)CC[C@@H]21 ZINC000766988925 585512718 /nfs/dbraw/zinc/51/27/18/585512718.db2.gz FRXNWNZSUIEPMG-MNOVXSKESA-N 2 1 200.301 1.372 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[NH+]1CCCC1 ZINC000768770460 585543261 /nfs/dbraw/zinc/54/32/61/585543261.db2.gz HNIMBBVEVZZZMV-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP O[C@H](CN1CCCC1)C[N@H+]1CCCC12CCC2 ZINC000769984064 585568499 /nfs/dbraw/zinc/56/84/99/585568499.db2.gz KFFPAUPXGHLWDL-CYBMUJFWSA-N 2 1 238.375 1.462 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC12CCC2 ZINC000769984064 585568500 /nfs/dbraw/zinc/56/85/00/585568500.db2.gz KFFPAUPXGHLWDL-CYBMUJFWSA-N 2 1 238.375 1.462 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC12CCC2 ZINC000769984064 585568501 /nfs/dbraw/zinc/56/85/01/585568501.db2.gz KFFPAUPXGHLWDL-CYBMUJFWSA-N 2 1 238.375 1.462 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)C1CC1 ZINC000771802425 585600305 /nfs/dbraw/zinc/60/03/05/585600305.db2.gz LQRSPAKYRFMSLD-CYBMUJFWSA-N 2 1 237.347 1.332 20 0 BDADMP C[C@@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000776522071 585700110 /nfs/dbraw/zinc/70/01/10/585700110.db2.gz ZEVSIWMVDVCCJG-GFCCVEGCSA-N 2 1 236.359 1.561 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000779343404 585752210 /nfs/dbraw/zinc/75/22/10/585752210.db2.gz YBTOYEMPWITPQI-HZSPNIEDSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000779344353 585752283 /nfs/dbraw/zinc/75/22/83/585752283.db2.gz XFQWRQNPGJLHFN-AGIUHOORSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000779344353 585752284 /nfs/dbraw/zinc/75/22/84/585752284.db2.gz XFQWRQNPGJLHFN-AGIUHOORSA-N 2 1 228.380 1.610 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H](C)CCO)C(C)C ZINC000779399888 585753300 /nfs/dbraw/zinc/75/33/00/585753300.db2.gz LKCUTWDLXSLIHB-NSHDSACASA-N 2 1 202.342 1.077 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H](C)CCO)C(C)C ZINC000779399888 585753299 /nfs/dbraw/zinc/75/32/99/585753299.db2.gz LKCUTWDLXSLIHB-NSHDSACASA-N 2 1 202.342 1.077 20 0 BDADMP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000781904153 585805223 /nfs/dbraw/zinc/80/52/23/585805223.db2.gz NKFGVGXLLAVBFG-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[N@@H+]1C[C@H]2CN(C[C@H]3CC3(Cl)Cl)C[C@H]2C1 ZINC000785935620 585884179 /nfs/dbraw/zinc/88/41/79/585884179.db2.gz JEOZHJHGFKIIID-KXUCPTDWSA-N 2 1 249.185 1.674 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC000785935620 585884180 /nfs/dbraw/zinc/88/41/80/585884180.db2.gz JEOZHJHGFKIIID-KXUCPTDWSA-N 2 1 249.185 1.674 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC000785935620 585884181 /nfs/dbraw/zinc/88/41/81/585884181.db2.gz JEOZHJHGFKIIID-KXUCPTDWSA-N 2 1 249.185 1.674 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC000785935620 585884182 /nfs/dbraw/zinc/88/41/82/585884182.db2.gz JEOZHJHGFKIIID-KXUCPTDWSA-N 2 1 249.185 1.674 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC000785935620 585884183 /nfs/dbraw/zinc/88/41/83/585884183.db2.gz JEOZHJHGFKIIID-KXUCPTDWSA-N 2 1 249.185 1.674 20 0 BDADMP C(C1CC1)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000786670278 585895974 /nfs/dbraw/zinc/89/59/74/585895974.db2.gz ITNAGDQFEIFXDT-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C(C1CC1)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000786670278 585895975 /nfs/dbraw/zinc/89/59/75/585895975.db2.gz ITNAGDQFEIFXDT-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000798181764 586138796 /nfs/dbraw/zinc/13/87/96/586138796.db2.gz YHTWJCAQFJBMBJ-PWSUYJOCSA-N 2 1 240.347 1.012 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(CCC(=O)C(C)C)C1 ZINC000808731975 586485053 /nfs/dbraw/zinc/48/50/53/586485053.db2.gz IRNBXMDYQADMKX-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CCN(C)C[C@H]1CC[N@H+](CCC(=O)C(C)C)C1 ZINC000808731975 586485054 /nfs/dbraw/zinc/48/50/54/586485054.db2.gz IRNBXMDYQADMKX-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CCN(C)C[C@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808731975 586485056 /nfs/dbraw/zinc/48/50/56/586485056.db2.gz IRNBXMDYQADMKX-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)C(C)C)C1 ZINC000808731975 586485057 /nfs/dbraw/zinc/48/50/57/586485057.db2.gz IRNBXMDYQADMKX-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)C(C)C)C1 ZINC000808731975 586485059 /nfs/dbraw/zinc/48/50/59/586485059.db2.gz IRNBXMDYQADMKX-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)C(C)C)C1 ZINC000808731975 586485060 /nfs/dbraw/zinc/48/50/60/586485060.db2.gz IRNBXMDYQADMKX-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808731975 586485062 /nfs/dbraw/zinc/48/50/62/586485062.db2.gz IRNBXMDYQADMKX-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]CCCCCCCN1CCC2(CC[NH2+]2)CC1 ZINC000817880257 586832188 /nfs/dbraw/zinc/83/21/88/586832188.db2.gz OFYCHVUDORVWOY-UHFFFAOYSA-N 2 1 239.407 1.724 20 0 BDADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817891825 586833446 /nfs/dbraw/zinc/83/34/46/586833446.db2.gz HOUIESMCOILDPX-MGPQQGTHSA-N 2 1 234.343 1.498 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)[nH]n1 ZINC000817894404 586833633 /nfs/dbraw/zinc/83/36/33/586833633.db2.gz YLNHCMCEUBFVGX-GWCFXTLKSA-N 2 1 236.363 1.450 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000817911424 586837986 /nfs/dbraw/zinc/83/79/86/586837986.db2.gz AHFBMIXKWBTMEG-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000817911424 586837987 /nfs/dbraw/zinc/83/79/87/586837987.db2.gz AHFBMIXKWBTMEG-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912792 586838022 /nfs/dbraw/zinc/83/80/22/586838022.db2.gz IONVZQXFYKGTBY-MJBXVCDLSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913084 586838328 /nfs/dbraw/zinc/83/83/28/586838328.db2.gz NXHVYTYOFTZGRJ-GMKTYKIGSA-N 2 1 226.364 1.268 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1CCC[NH2+]1 ZINC000817923776 586841093 /nfs/dbraw/zinc/84/10/93/586841093.db2.gz HYSHEGKWQZNZEO-AVGNSLFASA-N 2 1 224.348 1.799 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC=CO1)[C@H]1CCCC[NH2+]1 ZINC000817923802 586841534 /nfs/dbraw/zinc/84/15/34/586841534.db2.gz IPLMRXXAGOMZHX-FRRDWIJNSA-N 2 1 224.348 1.799 20 0 BDADMP CC[NH+](CC)CCOC(=O)Cn1c[nH+]cc1C ZINC000859948252 589073075 /nfs/dbraw/zinc/07/30/75/589073075.db2.gz XXXAHNCVJTVCBL-UHFFFAOYSA-N 2 1 239.319 1.077 20 0 BDADMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](C)O ZINC000818971375 586918081 /nfs/dbraw/zinc/91/80/81/586918081.db2.gz VFIFLIDRSOLYTF-JTQLQIEISA-N 2 1 246.314 1.046 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000821401977 587117297 /nfs/dbraw/zinc/11/72/97/587117297.db2.gz JXJHIECFRBYICY-RWMBFGLXSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)CC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000827802272 587401565 /nfs/dbraw/zinc/40/15/65/587401565.db2.gz FEJVGOJVNYJRQB-TXEJJXNPSA-N 2 1 224.348 1.143 20 0 BDADMP CC(C)CC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000827802272 587401566 /nfs/dbraw/zinc/40/15/66/587401566.db2.gz FEJVGOJVNYJRQB-TXEJJXNPSA-N 2 1 224.348 1.143 20 0 BDADMP CC(C)CC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000827802271 587402900 /nfs/dbraw/zinc/40/29/00/587402900.db2.gz FEJVGOJVNYJRQB-RYUDHWBXSA-N 2 1 224.348 1.143 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000830028102 587532459 /nfs/dbraw/zinc/53/24/59/587532459.db2.gz DZMQGRGYRWLYAV-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000830028102 587532460 /nfs/dbraw/zinc/53/24/60/587532460.db2.gz DZMQGRGYRWLYAV-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000830028102 587532461 /nfs/dbraw/zinc/53/24/61/587532461.db2.gz DZMQGRGYRWLYAV-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H]1C[N@@H+](CC)CCN1CC[NH+]1CCCC1 ZINC000831964692 587639869 /nfs/dbraw/zinc/63/98/69/587639869.db2.gz FQUZHTAUHHBUIO-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N(C)CC[NH+]2CCCC2)C1 ZINC000832778611 587688552 /nfs/dbraw/zinc/68/85/52/587688552.db2.gz MPAVKSVIGXVGHM-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000832782254 587689045 /nfs/dbraw/zinc/68/90/45/587689045.db2.gz WRKUQFKAYMCQLO-UHFFFAOYSA-N 2 1 243.395 1.306 20 0 BDADMP CC[N@@H+](CCC[NH3+])C[C@@H](O)c1ccc(C)cc1 ZINC000841010676 587934576 /nfs/dbraw/zinc/93/45/76/587934576.db2.gz ZGRDYGRSPYKVFP-CQSZACIVSA-N 2 1 236.359 1.699 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000841032317 587937354 /nfs/dbraw/zinc/93/73/54/587937354.db2.gz CKGNAYPITSMKOK-HZSPNIEDSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841060812 587941919 /nfs/dbraw/zinc/94/19/19/587941919.db2.gz QIQWAWBGEPRJOR-SNVBAGLBSA-N 2 1 234.343 1.837 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](CC(C)(C)[NH3+])C2)CC1 ZINC000843119403 588082517 /nfs/dbraw/zinc/08/25/17/588082517.db2.gz NBVWLVWXUPIQMO-UHFFFAOYSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC2(CCCN(CC(C)(C)[NH3+])C2)CC1 ZINC000843119403 588082519 /nfs/dbraw/zinc/08/25/19/588082519.db2.gz NBVWLVWXUPIQMO-UHFFFAOYSA-N 2 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC2(CCC[N@H+](CC(C)(C)N)C2)CC1 ZINC000843119403 588082521 /nfs/dbraw/zinc/08/25/21/588082521.db2.gz NBVWLVWXUPIQMO-UHFFFAOYSA-N 2 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](CC(C)(C)N)C2)CC1 ZINC000843119403 588082523 /nfs/dbraw/zinc/08/25/23/588082523.db2.gz NBVWLVWXUPIQMO-UHFFFAOYSA-N 2 1 239.407 1.532 20 0 BDADMP Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000843118500 588082843 /nfs/dbraw/zinc/08/28/43/588082843.db2.gz JOWCJMXIBAGDTL-CQSZACIVSA-N 2 1 246.358 1.239 20 0 BDADMP Nc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000843118500 588082845 /nfs/dbraw/zinc/08/28/45/588082845.db2.gz JOWCJMXIBAGDTL-CQSZACIVSA-N 2 1 246.358 1.239 20 0 BDADMP [NH3+]CCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000843340774 588101147 /nfs/dbraw/zinc/10/11/47/588101147.db2.gz DZZXIYXCGGLFDV-KGLIPLIRSA-N 3 1 239.407 1.722 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000843345663 588101879 /nfs/dbraw/zinc/10/18/79/588101879.db2.gz CNWUDORXESMANM-UHFFFAOYSA-N 3 1 227.396 1.579 20 0 BDADMP C[N@H+](CCCCCCC[NH3+])C1CCNCC1 ZINC000843345663 588101880 /nfs/dbraw/zinc/10/18/80/588101880.db2.gz CNWUDORXESMANM-UHFFFAOYSA-N 2 1 227.396 1.579 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])C1CCNCC1 ZINC000843345663 588101881 /nfs/dbraw/zinc/10/18/81/588101881.db2.gz CNWUDORXESMANM-UHFFFAOYSA-N 2 1 227.396 1.579 20 0 BDADMP C[C@H](CN)[N@@H+](C)CCCCCCC[NH3+] ZINC000843350034 588102385 /nfs/dbraw/zinc/10/23/85/588102385.db2.gz DUUAMIWLFRRVBO-LLVKDONJSA-N 2 1 201.358 1.175 20 0 BDADMP C[C@H](C[NH3+])N(C)CCCCCCC[NH3+] ZINC000843350034 588102387 /nfs/dbraw/zinc/10/23/87/588102387.db2.gz DUUAMIWLFRRVBO-LLVKDONJSA-N 2 1 201.358 1.175 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843354925 588102892 /nfs/dbraw/zinc/10/28/92/588102892.db2.gz LWVDDEQGOYPXEZ-HIFPTAJRSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@@H+](Cc1ccnc(N)c1)C1CCC([NH3+])CC1 ZINC000843354547 588103104 /nfs/dbraw/zinc/10/31/04/588103104.db2.gz BLGOJHUEELZVHN-UHFFFAOYSA-N 2 1 234.347 1.366 20 0 BDADMP C[C@](C[NH3+])([NH2+]Cc1ccc2c(c1)COC2)C1CC1 ZINC000843355853 588103256 /nfs/dbraw/zinc/10/32/56/588103256.db2.gz KVLMBFIVKUPXPC-OAHLLOKOSA-N 2 1 246.354 1.934 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCCCCCC[NH3+])C1CC1 ZINC000843355833 588103409 /nfs/dbraw/zinc/10/34/09/588103409.db2.gz KFDMVYBYPNRCDE-CYBMUJFWSA-N 3 1 227.396 1.613 20 0 BDADMP CCCCOC(=O)CC[N@H+](C)[C@@H](CN)C1CC1 ZINC000843386406 588105825 /nfs/dbraw/zinc/10/58/25/588105825.db2.gz IEELEBTWXUSCAP-LBPRGKRZSA-N 2 1 242.363 1.389 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000843386406 588105826 /nfs/dbraw/zinc/10/58/26/588105826.db2.gz IEELEBTWXUSCAP-LBPRGKRZSA-N 2 1 242.363 1.389 20 0 BDADMP CCCCOC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000843386406 588105828 /nfs/dbraw/zinc/10/58/28/588105828.db2.gz IEELEBTWXUSCAP-LBPRGKRZSA-N 2 1 242.363 1.389 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000843386406 588105830 /nfs/dbraw/zinc/10/58/30/588105830.db2.gz IEELEBTWXUSCAP-LBPRGKRZSA-N 2 1 242.363 1.389 20 0 BDADMP CC[N@@H+](CCNC(=O)CCC(C)(C)[NH3+])C(C)C ZINC000844180267 588172315 /nfs/dbraw/zinc/17/23/15/588172315.db2.gz OCXHILLITLWUPU-UHFFFAOYSA-N 2 1 243.395 1.350 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])Cc1cc[nH]n1 ZINC000844221796 588174451 /nfs/dbraw/zinc/17/44/51/588174451.db2.gz KVJNCJCIYMIAJY-UHFFFAOYSA-N 2 1 224.352 1.751 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCCCC[NH3+] ZINC000846221138 588261318 /nfs/dbraw/zinc/26/13/18/588261318.db2.gz SXWYVLWIIKEKJB-LLVKDONJSA-N 3 1 215.385 1.469 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000846222154 588261435 /nfs/dbraw/zinc/26/14/35/588261435.db2.gz AVZLVOPSMCESFP-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000846222154 588261436 /nfs/dbraw/zinc/26/14/36/588261436.db2.gz AVZLVOPSMCESFP-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987276 588426210 /nfs/dbraw/zinc/42/62/10/588426210.db2.gz WXOMLJACCBEQHJ-MNOVXSKESA-N 2 1 226.368 1.383 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987555 588426516 /nfs/dbraw/zinc/42/65/16/588426516.db2.gz GKKNHGXDCNXETH-NSHDSACASA-N 2 1 228.384 1.629 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000848999202 588429972 /nfs/dbraw/zinc/42/99/72/588429972.db2.gz CGEWSZZEWBPISC-SNVBAGLBSA-N 2 1 226.368 1.383 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N1CCCCC1 ZINC000849005819 588432609 /nfs/dbraw/zinc/43/26/09/588432609.db2.gz UHWQQADCSDRKCQ-UHFFFAOYSA-N 2 1 240.395 1.729 20 0 BDADMP [NH2+]=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCCC1 ZINC000849020466 588438426 /nfs/dbraw/zinc/43/84/26/588438426.db2.gz SBVDIHPOYHPZBY-LLVKDONJSA-N 2 1 247.346 1.208 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CC ZINC000849028044 588441318 /nfs/dbraw/zinc/44/13/18/588441318.db2.gz YYLJZIIASKMSLO-NEPJUHHUSA-N 2 1 240.395 1.773 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850538887 588558769 /nfs/dbraw/zinc/55/87/69/588558769.db2.gz NSZBHXSOVCJYJW-OLZOCXBDSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850538887 588558770 /nfs/dbraw/zinc/55/87/70/588558770.db2.gz NSZBHXSOVCJYJW-OLZOCXBDSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)CCOC(F)F ZINC000852007470 588654937 /nfs/dbraw/zinc/65/49/37/588654937.db2.gz NOLLTKGNJJCZQW-UHFFFAOYSA-N 2 1 236.306 1.643 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCOC(F)F ZINC000852007470 588654938 /nfs/dbraw/zinc/65/49/38/588654938.db2.gz NOLLTKGNJJCZQW-UHFFFAOYSA-N 2 1 236.306 1.643 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCNC(C)=O ZINC000852715813 588697764 /nfs/dbraw/zinc/69/77/64/588697764.db2.gz ZHFJUUKPJZTJGF-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCNC(C)=O ZINC000852715813 588697765 /nfs/dbraw/zinc/69/77/65/588697765.db2.gz ZHFJUUKPJZTJGF-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCc2nccnc2C1 ZINC000852760467 588700604 /nfs/dbraw/zinc/70/06/04/588700604.db2.gz GFTKREPNUHENQO-UHFFFAOYSA-N 2 1 234.347 1.354 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000852755754 588700741 /nfs/dbraw/zinc/70/07/41/588700741.db2.gz DFBDXDUZHKKWNL-UHFFFAOYSA-N 3 1 225.380 1.319 20 0 BDADMP NCC12CC(C1)C[N@@H+]2CCCCCCC[NH3+] ZINC000852755754 588700742 /nfs/dbraw/zinc/70/07/42/588700742.db2.gz DFBDXDUZHKKWNL-UHFFFAOYSA-N 2 1 225.380 1.319 20 0 BDADMP NCC12CC(C1)C[N@H+]2CCCCCCC[NH3+] ZINC000852755754 588700743 /nfs/dbraw/zinc/70/07/43/588700743.db2.gz DFBDXDUZHKKWNL-UHFFFAOYSA-N 2 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCCCN1CC2CC1(C[NH3+])C2 ZINC000852755754 588700744 /nfs/dbraw/zinc/70/07/44/588700744.db2.gz DFBDXDUZHKKWNL-UHFFFAOYSA-N 2 1 225.380 1.319 20 0 BDADMP Cc1c(F)nccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000862274093 589198368 /nfs/dbraw/zinc/19/83/68/589198368.db2.gz FCRJWPUUXRGDFS-SNVBAGLBSA-N 2 1 239.338 1.959 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[NH2+]1 ZINC000863546214 589296212 /nfs/dbraw/zinc/29/62/12/589296212.db2.gz JZOCDUFOCCFXOM-LPTSXCQYSA-N 2 1 208.349 1.905 20 0 BDADMP Cc1ccc(CCC[N@@H+](C)C[C@H](C)[NH3+])cn1 ZINC000863651411 589307256 /nfs/dbraw/zinc/30/72/56/589307256.db2.gz HQXSREVDHGHYFD-NSHDSACASA-N 3 1 221.348 1.602 20 0 BDADMP Cc1ccc(CCC[N@H+](C)C[C@H](C)[NH3+])cn1 ZINC000863651411 589307258 /nfs/dbraw/zinc/30/72/58/589307258.db2.gz HQXSREVDHGHYFD-NSHDSACASA-N 3 1 221.348 1.602 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000864055228 589335799 /nfs/dbraw/zinc/33/57/99/589335799.db2.gz KXWFLNVCXJKBOQ-LLVKDONJSA-N 2 1 237.347 1.851 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C12CCC2 ZINC000864055656 589336468 /nfs/dbraw/zinc/33/64/68/589336468.db2.gz VEIPYSCCMRDTJV-VXGBXAGGSA-N 2 1 235.306 1.580 20 0 BDADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000864451712 589365211 /nfs/dbraw/zinc/36/52/11/589365211.db2.gz DVJDWQLAWKBXGC-IJLUTSLNSA-N 2 1 238.379 1.383 20 0 BDADMP Cc1cccc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866206871 589480137 /nfs/dbraw/zinc/48/01/37/589480137.db2.gz UGLUJEYLIKBMPM-STQMWFEESA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cccc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866206871 589480138 /nfs/dbraw/zinc/48/01/38/589480138.db2.gz UGLUJEYLIKBMPM-STQMWFEESA-N 2 1 231.343 1.920 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c(CO)c3)CC[C@@H]21 ZINC000866208966 589480520 /nfs/dbraw/zinc/48/05/20/589480520.db2.gz MCFQAXQLYLPDSV-RISCZKNCSA-N 2 1 247.342 1.104 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000866671942 589511040 /nfs/dbraw/zinc/51/10/40/589511040.db2.gz DDHBRFPIGHWRQX-NWDGAFQWSA-N 3 1 213.369 1.032 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866703974 589513686 /nfs/dbraw/zinc/51/36/86/589513686.db2.gz QTFBXOCBCRLYOE-RYUDHWBXSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000866704831 589514736 /nfs/dbraw/zinc/51/47/36/589514736.db2.gz YDWNLQJVDPRDTA-MGPQQGTHSA-N 2 1 237.391 1.012 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866724409 589515570 /nfs/dbraw/zinc/51/55/70/589515570.db2.gz KDAIEIWTHTWMMU-ZIAGYGMSSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866724409 589515571 /nfs/dbraw/zinc/51/55/71/589515571.db2.gz KDAIEIWTHTWMMU-ZIAGYGMSSA-N 3 1 239.407 1.722 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)CC ZINC000872062419 589862566 /nfs/dbraw/zinc/86/25/66/589862566.db2.gz MPOSKLSLFKLXQW-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)CC ZINC000872062419 589862567 /nfs/dbraw/zinc/86/25/67/589862567.db2.gz MPOSKLSLFKLXQW-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H](C)C1 ZINC000872125737 589875515 /nfs/dbraw/zinc/87/55/15/589875515.db2.gz CKMKAZWPJCMZFG-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)C1 ZINC000872144232 589882918 /nfs/dbraw/zinc/88/29/18/589882918.db2.gz CWCFTZCUNLNQAY-RXGFPQBGSA-N 2 1 226.364 1.388 20 0 BDADMP C([C@H]1CC2(CCC2)CO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000872144160 589882937 /nfs/dbraw/zinc/88/29/37/589882937.db2.gz WFKGWLMWLVDBHF-FRRDWIJNSA-N 2 1 236.359 1.097 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000872145208 589884224 /nfs/dbraw/zinc/88/42/24/589884224.db2.gz PXPIFDNIWQEKCS-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000872145208 589884225 /nfs/dbraw/zinc/88/42/25/589884225.db2.gz PXPIFDNIWQEKCS-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1C[N@H+](CCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872153485 589884906 /nfs/dbraw/zinc/88/49/06/589884906.db2.gz CNZYJLYQOFCWPG-IUCAKERBSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872153485 589884908 /nfs/dbraw/zinc/88/49/08/589884908.db2.gz CNZYJLYQOFCWPG-IUCAKERBSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000872253847 589901392 /nfs/dbraw/zinc/90/13/92/589901392.db2.gz KVJDYYAVXXMNLL-FRRDWIJNSA-N 3 1 239.407 1.495 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000873210402 589995406 /nfs/dbraw/zinc/99/54/06/589995406.db2.gz FDZCYRNWVCAMER-CYBMUJFWSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](O)CC(C)(C)C2)CC[NH2+]1 ZINC000873221794 589999798 /nfs/dbraw/zinc/99/97/98/589999798.db2.gz QHHWARBPAOLLGI-AGIUHOORSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234031 590000394 /nfs/dbraw/zinc/00/03/94/590000394.db2.gz BFYLAGHYTPBCHU-STQMWFEESA-N 2 1 242.407 1.905 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccnn1C ZINC000873223549 590000696 /nfs/dbraw/zinc/00/06/96/590000696.db2.gz QIMOWBSYWUHJBL-IJLUTSLNSA-N 2 1 236.363 1.601 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccnn1C ZINC000873223550 590000785 /nfs/dbraw/zinc/00/07/85/590000785.db2.gz QIMOWBSYWUHJBL-UTUOFQBUSA-N 2 1 236.363 1.601 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236500 590004161 /nfs/dbraw/zinc/00/41/61/590004161.db2.gz HQJXQJQZMGALTL-FRRDWIJNSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCOC1 ZINC000873234562 590004456 /nfs/dbraw/zinc/00/44/56/590004456.db2.gz GNTUYUOADFEBQQ-YNEHKIRRSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCCO1 ZINC000873238297 590005113 /nfs/dbraw/zinc/00/51/13/590005113.db2.gz ZEIRTOFHIBOBQM-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252454 590006035 /nfs/dbraw/zinc/00/60/35/590006035.db2.gz RXHCFJXCWMIEFN-UJNFCWOMSA-N 2 1 208.309 1.106 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2ccccc21 ZINC000873256255 590010784 /nfs/dbraw/zinc/01/07/84/590010784.db2.gz NEVDETIFTZAXLQ-MHWZDGSBSA-N 2 1 231.343 1.458 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1N)C1CC[NH2+]CC1 ZINC000873270677 590016072 /nfs/dbraw/zinc/01/60/72/590016072.db2.gz ZVTDNEHBOZBISJ-MRVWCRGKSA-N 2 1 239.407 1.624 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000873281395 590018750 /nfs/dbraw/zinc/01/87/50/590018750.db2.gz IKGCGBPTRGZHCF-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)C1C[NH2+]C1 ZINC000873283587 590019121 /nfs/dbraw/zinc/01/91/21/590019121.db2.gz XGTHTRCUJSTAIS-MRVPVSSYSA-N 2 1 247.298 1.231 20 0 BDADMP COCC(C)(C)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000873283027 590019570 /nfs/dbraw/zinc/01/95/70/590019570.db2.gz YEDZSYQYVGDKJW-RYUDHWBXSA-N 2 1 228.380 1.637 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCC2OCCO2)CC[N@@H+]1C ZINC000124550256 590050366 /nfs/dbraw/zinc/05/03/66/590050366.db2.gz YQPUMNZRBBAQOD-NWDGAFQWSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCC2OCCO2)CC[N@H+]1C ZINC000124550256 590050368 /nfs/dbraw/zinc/05/03/68/590050368.db2.gz YQPUMNZRBBAQOD-NWDGAFQWSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCC2OCCO2)CC[NH+]1C ZINC000124550256 590050372 /nfs/dbraw/zinc/05/03/72/590050372.db2.gz YQPUMNZRBBAQOD-NWDGAFQWSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCC2OCCO2)CC[NH+]1C ZINC000124550256 590050375 /nfs/dbraw/zinc/05/03/75/590050375.db2.gz YQPUMNZRBBAQOD-NWDGAFQWSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877739243 590406408 /nfs/dbraw/zinc/40/64/08/590406408.db2.gz FTLHRMAQHDQCQG-LPWJVIDDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877739243 590406409 /nfs/dbraw/zinc/40/64/09/590406409.db2.gz FTLHRMAQHDQCQG-LPWJVIDDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877739243 590406411 /nfs/dbraw/zinc/40/64/11/590406411.db2.gz FTLHRMAQHDQCQG-LPWJVIDDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877739243 590406413 /nfs/dbraw/zinc/40/64/13/590406413.db2.gz FTLHRMAQHDQCQG-LPWJVIDDSA-N 2 1 208.349 1.668 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877740202 590407456 /nfs/dbraw/zinc/40/74/56/590407456.db2.gz IZOTUOQDRZLJHV-JHJVBQTASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877740202 590407458 /nfs/dbraw/zinc/40/74/58/590407458.db2.gz IZOTUOQDRZLJHV-JHJVBQTASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740202 590407459 /nfs/dbraw/zinc/40/74/59/590407459.db2.gz IZOTUOQDRZLJHV-JHJVBQTASA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740202 590407461 /nfs/dbraw/zinc/40/74/61/590407461.db2.gz IZOTUOQDRZLJHV-JHJVBQTASA-N 2 1 226.364 1.295 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C1CC1 ZINC000877741379 590408419 /nfs/dbraw/zinc/40/84/19/590408419.db2.gz VLNLIRDDHFYOLF-BFHYXJOUSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1CC1 ZINC000877741379 590408420 /nfs/dbraw/zinc/40/84/20/590408420.db2.gz VLNLIRDDHFYOLF-BFHYXJOUSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C1CC1 ZINC000877741379 590408422 /nfs/dbraw/zinc/40/84/22/590408422.db2.gz VLNLIRDDHFYOLF-BFHYXJOUSA-N 2 1 238.375 1.437 20 0 BDADMP CCC[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877742895 590409569 /nfs/dbraw/zinc/40/95/69/590409569.db2.gz SCKPSIMGAVWZIX-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000877742895 590409571 /nfs/dbraw/zinc/40/95/71/590409571.db2.gz SCKPSIMGAVWZIX-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000877742895 590409573 /nfs/dbraw/zinc/40/95/73/590409573.db2.gz SCKPSIMGAVWZIX-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCSC3)CC[C@H]21 ZINC000877743877 590410631 /nfs/dbraw/zinc/41/06/31/590410631.db2.gz YRUNOKSTOOLJES-YNEHKIRRSA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCSC3)CC[C@H]21 ZINC000877743877 590410632 /nfs/dbraw/zinc/41/06/32/590410632.db2.gz YRUNOKSTOOLJES-YNEHKIRRSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCSC3)CC[C@H]21 ZINC000877743877 590410634 /nfs/dbraw/zinc/41/06/34/590410634.db2.gz YRUNOKSTOOLJES-YNEHKIRRSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCSC3)CC[C@H]21 ZINC000877743877 590410636 /nfs/dbraw/zinc/41/06/36/590410636.db2.gz YRUNOKSTOOLJES-YNEHKIRRSA-N 2 1 240.416 1.766 20 0 BDADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743886 590412150 /nfs/dbraw/zinc/41/21/50/590412150.db2.gz YUZCOTBWIPSXLR-QWHCGFSZSA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743886 590412152 /nfs/dbraw/zinc/41/21/52/590412152.db2.gz YUZCOTBWIPSXLR-QWHCGFSZSA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743886 590412154 /nfs/dbraw/zinc/41/21/54/590412154.db2.gz YUZCOTBWIPSXLR-QWHCGFSZSA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743886 590412156 /nfs/dbraw/zinc/41/21/56/590412156.db2.gz YUZCOTBWIPSXLR-QWHCGFSZSA-N 2 1 208.349 1.979 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@@H](O)C(C)C)CC1 ZINC000878165258 590512700 /nfs/dbraw/zinc/51/27/00/590512700.db2.gz WZIUTTZVGPBHTE-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](O)C(C)C)CC1 ZINC000878165258 590512701 /nfs/dbraw/zinc/51/27/01/590512701.db2.gz WZIUTTZVGPBHTE-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000878645048 590600144 /nfs/dbraw/zinc/60/01/44/590600144.db2.gz GTMRZYAAMJUQSN-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000878645051 590600464 /nfs/dbraw/zinc/60/04/64/590600464.db2.gz GTMRZYAAMJUQSN-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP COC(C[N@H+]1CCC2(C1)CC[NH+](C)CC2)OC ZINC000878867878 590636637 /nfs/dbraw/zinc/63/66/37/590636637.db2.gz XXJRAZBMSNCSEE-UHFFFAOYSA-N 2 1 242.363 1.023 20 0 BDADMP CO[C@@H]1CC[C@H](C)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000879320216 590740822 /nfs/dbraw/zinc/74/08/22/590740822.db2.gz DPWBIFKQQQMUKW-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000879320216 590740823 /nfs/dbraw/zinc/74/08/23/590740823.db2.gz DPWBIFKQQQMUKW-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000879320216 590740824 /nfs/dbraw/zinc/74/08/24/590740824.db2.gz DPWBIFKQQQMUKW-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000879569162 590806764 /nfs/dbraw/zinc/80/67/64/590806764.db2.gz KQUZEJCLLXDANN-FRRDWIJNSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000879569162 590806767 /nfs/dbraw/zinc/80/67/67/590806767.db2.gz KQUZEJCLLXDANN-FRRDWIJNSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000879569162 590806774 /nfs/dbraw/zinc/80/67/74/590806774.db2.gz KQUZEJCLLXDANN-FRRDWIJNSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000879569161 590807712 /nfs/dbraw/zinc/80/77/12/590807712.db2.gz KQUZEJCLLXDANN-AGIUHOORSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000879569161 590807718 /nfs/dbraw/zinc/80/77/18/590807718.db2.gz KQUZEJCLLXDANN-AGIUHOORSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000879569161 590807721 /nfs/dbraw/zinc/80/77/21/590807721.db2.gz KQUZEJCLLXDANN-AGIUHOORSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000879571119 590808532 /nfs/dbraw/zinc/80/85/32/590808532.db2.gz MVMOVNUYWPNKKB-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000879571119 590808536 /nfs/dbraw/zinc/80/85/36/590808536.db2.gz MVMOVNUYWPNKKB-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000879571119 590808540 /nfs/dbraw/zinc/80/85/40/590808540.db2.gz MVMOVNUYWPNKKB-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000879571119 590808543 /nfs/dbraw/zinc/80/85/43/590808543.db2.gz MVMOVNUYWPNKKB-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCO3)CC[C@@H]21 ZINC000879579778 590816793 /nfs/dbraw/zinc/81/67/93/590816793.db2.gz AYCMLGQRPYVNOL-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCO3)CC[C@@H]21 ZINC000879579778 590816795 /nfs/dbraw/zinc/81/67/95/590816795.db2.gz AYCMLGQRPYVNOL-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCCO3)CC[C@@H]21 ZINC000879579778 590816797 /nfs/dbraw/zinc/81/67/97/590816797.db2.gz AYCMLGQRPYVNOL-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)CC[C@@H]21 ZINC000879579778 590816800 /nfs/dbraw/zinc/81/68/00/590816800.db2.gz AYCMLGQRPYVNOL-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580031 590817290 /nfs/dbraw/zinc/81/72/90/590817290.db2.gz DICCNKUPFYANBT-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580031 590817293 /nfs/dbraw/zinc/81/72/93/590817293.db2.gz DICCNKUPFYANBT-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580031 590817297 /nfs/dbraw/zinc/81/72/97/590817297.db2.gz DICCNKUPFYANBT-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582098 590822832 /nfs/dbraw/zinc/82/28/32/590822832.db2.gz PPTXXAIQEPKVIL-RWMBFGLXSA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582098 590822836 /nfs/dbraw/zinc/82/28/36/590822836.db2.gz PPTXXAIQEPKVIL-RWMBFGLXSA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582098 590822840 /nfs/dbraw/zinc/82/28/40/590822840.db2.gz PPTXXAIQEPKVIL-RWMBFGLXSA-N 2 1 226.364 1.029 20 0 BDADMP CC1([NH+]2CCCCC2)CC[NH+](CCCO)CC1 ZINC000879948461 590895682 /nfs/dbraw/zinc/89/56/82/590895682.db2.gz ZSZZIVSUNGNJSN-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCc1cccnc1 ZINC000880137718 590939708 /nfs/dbraw/zinc/93/97/08/590939708.db2.gz JLQSJKBUCRFJJY-HUUCEWRRSA-N 2 1 245.370 1.793 20 0 BDADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCc1cccnc1 ZINC000880137718 590939710 /nfs/dbraw/zinc/93/97/10/590939710.db2.gz JLQSJKBUCRFJJY-HUUCEWRRSA-N 2 1 245.370 1.793 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCc1cccnc1 ZINC000880137718 590939711 /nfs/dbraw/zinc/93/97/11/590939711.db2.gz JLQSJKBUCRFJJY-HUUCEWRRSA-N 2 1 245.370 1.793 20 0 BDADMP CO[C@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260027 590980885 /nfs/dbraw/zinc/98/08/85/590980885.db2.gz MJQUFRYTHVBLOG-QWHCGFSZSA-N 2 1 249.358 1.627 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CF)C1 ZINC000880297427 590992992 /nfs/dbraw/zinc/99/29/92/590992992.db2.gz NXHNFRNAZPDKLE-GFCCVEGCSA-N 2 1 225.311 1.873 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CF)C1 ZINC000880297427 590992994 /nfs/dbraw/zinc/99/29/94/590992994.db2.gz NXHNFRNAZPDKLE-GFCCVEGCSA-N 2 1 225.311 1.873 20 0 BDADMP C[C@@H]1CC[C@H](CO)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000880439720 591042875 /nfs/dbraw/zinc/04/28/75/591042875.db2.gz ICVFGLHDRUCTBK-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](CO)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000880439720 591042878 /nfs/dbraw/zinc/04/28/78/591042878.db2.gz ICVFGLHDRUCTBK-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](CO)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000880439720 591042880 /nfs/dbraw/zinc/04/28/80/591042880.db2.gz ICVFGLHDRUCTBK-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP COCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880471626 591052153 /nfs/dbraw/zinc/05/21/53/591052153.db2.gz YNFCCZUNRHBBDO-UHFFFAOYSA-N 2 1 212.337 1.193 20 0 BDADMP COCC[N@@H+](C)CCNc1ncnc(C)c1C ZINC000881908904 591277062 /nfs/dbraw/zinc/27/70/62/591277062.db2.gz WQXJOPCQQBIMRH-UHFFFAOYSA-N 2 1 238.335 1.084 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000129611408 591339926 /nfs/dbraw/zinc/33/99/26/591339926.db2.gz MMILFXRAWYPNRF-SNPRPXQTSA-N 2 1 248.370 1.792 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883356627 591627142 /nfs/dbraw/zinc/62/71/42/591627142.db2.gz RMFAEZICWSHSMY-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000883356627 591627145 /nfs/dbraw/zinc/62/71/45/591627145.db2.gz RMFAEZICWSHSMY-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000883356627 591627149 /nfs/dbraw/zinc/62/71/49/591627149.db2.gz RMFAEZICWSHSMY-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1(CN)CCCCC1 ZINC000883454525 591672127 /nfs/dbraw/zinc/67/21/27/591672127.db2.gz DSKWMEACHYIXJO-CYBMUJFWSA-N 2 1 239.407 1.579 20 0 BDADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000134805033 591950971 /nfs/dbraw/zinc/95/09/71/591950971.db2.gz RWGJENANDBRYNR-RYUDHWBXSA-N 2 1 228.405 1.812 20 0 BDADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000134805012 591951100 /nfs/dbraw/zinc/95/11/00/591951100.db2.gz RWGJENANDBRYNR-VXGBXAGGSA-N 2 1 228.405 1.812 20 0 BDADMP CC[C@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000135297585 592004047 /nfs/dbraw/zinc/00/40/47/592004047.db2.gz GCYMLPFWERHQQB-VIFPVBQESA-N 2 1 238.335 1.495 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CC[N@H+]1C ZINC000886727308 592312084 /nfs/dbraw/zinc/31/20/84/592312084.db2.gz SCBWFNQMDBHHAJ-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@@]12CCOC2)C1CC1 ZINC000886830878 592353470 /nfs/dbraw/zinc/35/34/70/592353470.db2.gz ZEHLHLBPFOUMHE-YNEHKIRRSA-N 2 1 224.348 1.130 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886832391 592355054 /nfs/dbraw/zinc/35/50/54/592355054.db2.gz HRHFIUUQCLNBDP-UMSGYPCISA-N 2 1 224.348 1.082 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1C[C@]12CCOC2 ZINC000886841553 592363706 /nfs/dbraw/zinc/36/37/06/592363706.db2.gz OTPWDPAZWAQENS-KBPBESRZSA-N 2 1 240.391 1.864 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(OC)C2)C1 ZINC000220843740 592364425 /nfs/dbraw/zinc/36/44/25/592364425.db2.gz ZHMMEGBTPGQYSB-UNXYVOJBSA-N 2 1 212.337 1.095 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865846 592373633 /nfs/dbraw/zinc/37/36/33/592373633.db2.gz WJDTUESFLMHZHP-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865846 592373639 /nfs/dbraw/zinc/37/36/39/592373639.db2.gz WJDTUESFLMHZHP-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133074 592448423 /nfs/dbraw/zinc/44/84/23/592448423.db2.gz SSEAZDWVQVJRAU-GXTWGEPZSA-N 2 1 249.358 1.363 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC(F)F ZINC000887354105 592486995 /nfs/dbraw/zinc/48/69/95/592486995.db2.gz PZRGBCIBUPFFGY-SECBINFHSA-N 2 1 248.321 1.240 20 0 BDADMP C[C@@H](C[NH3+])n1cc(C[NH+]2CCC(C)CC2)nn1 ZINC000887417734 592503194 /nfs/dbraw/zinc/50/31/94/592503194.db2.gz XESAOLHJYPMUBL-NSHDSACASA-N 2 1 237.351 1.030 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246023141 987313924 /nfs/dbraw/zinc/31/39/24/987313924.db2.gz OIDYTLLMWZNTBR-GRYCIOLGSA-N 2 1 214.353 1.064 20 0 BDADMP CCCCC[C@H](O)C[N@H+](C)C[C@@H]([NH3+])CC ZINC001246055393 987347780 /nfs/dbraw/zinc/34/77/80/987347780.db2.gz BUMLKEJEKCVTSG-RYUDHWBXSA-N 2 1 216.369 1.597 20 0 BDADMP CCCCC[C@H](O)C[N@@H+](C)C[C@@H]([NH3+])CC ZINC001246055393 987347786 /nfs/dbraw/zinc/34/77/86/987347786.db2.gz BUMLKEJEKCVTSG-RYUDHWBXSA-N 2 1 216.369 1.597 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ncnn21 ZINC000925707608 634396250 /nfs/dbraw/zinc/39/62/50/634396250.db2.gz LZGPPPUIKABYSP-CMPLNLGQSA-N 2 1 247.346 1.135 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ncnn21 ZINC000925707608 634396254 /nfs/dbraw/zinc/39/62/54/634396254.db2.gz LZGPPPUIKABYSP-CMPLNLGQSA-N 2 1 247.346 1.135 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)O1 ZINC000299996638 634405576 /nfs/dbraw/zinc/40/55/76/634405576.db2.gz RVXLTDWZUZCOTI-FDYHWXHSSA-N 2 1 226.364 1.471 20 0 BDADMP OC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000925713144 634414972 /nfs/dbraw/zinc/41/49/72/634414972.db2.gz JYSUSRFTUSRPLH-NWDGAFQWSA-N 2 1 224.348 1.022 20 0 BDADMP Nc1cccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925713161 634415179 /nfs/dbraw/zinc/41/51/79/634415179.db2.gz KFHSBDMMVKSTRQ-RCZQDCHWSA-N 2 1 243.354 1.355 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925713433 634416155 /nfs/dbraw/zinc/41/61/55/634416155.db2.gz SKAHVOLDGPBYEJ-ZNSHCXBVSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CO1 ZINC000925714446 634426995 /nfs/dbraw/zinc/42/69/95/634426995.db2.gz YTEGEGNMUFNZQK-IJLUTSLNSA-N 2 1 224.348 1.428 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCc1ccco1 ZINC000925715540 634442737 /nfs/dbraw/zinc/44/27/37/634442737.db2.gz JTHDCOQPLMEABL-LBPRGKRZSA-N 2 1 222.332 1.942 20 0 BDADMP Cc1nocc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257724681 634481505 /nfs/dbraw/zinc/48/15/05/634481505.db2.gz WGEOLZGSVVWJFD-UHFFFAOYSA-N 2 1 235.331 1.559 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000313612800 634499026 /nfs/dbraw/zinc/49/90/26/634499026.db2.gz OQJWCQZFKBXCLG-NWANDNLSSA-N 2 1 248.370 1.637 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727990 634527910 /nfs/dbraw/zinc/52/79/10/634527910.db2.gz RTNKCPZLAWUPGK-RGDJUOJXSA-N 3 1 237.391 1.247 20 0 BDADMP CC(C)n1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000125575952 634563728 /nfs/dbraw/zinc/56/37/28/634563728.db2.gz VJPDYHWIRRYPLX-LBPRGKRZSA-N 2 1 236.363 1.635 20 0 BDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000310116158 634586481 /nfs/dbraw/zinc/58/64/81/634586481.db2.gz CLEOOBCMOAVANA-WCQYABFASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000310116158 634586489 /nfs/dbraw/zinc/58/64/89/634586489.db2.gz CLEOOBCMOAVANA-WCQYABFASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832895 635475956 /nfs/dbraw/zinc/47/59/56/635475956.db2.gz QPYOXJZUVMIMSF-UTINFBMNSA-N 2 1 236.281 1.772 20 0 BDADMP CC1([NH+]2CCC2)CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000925862212 635559533 /nfs/dbraw/zinc/55/95/33/635559533.db2.gz YIACRBVWHCNSGF-ROKHWSDSSA-N 2 1 237.391 1.345 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000234714117 635559568 /nfs/dbraw/zinc/55/95/68/635559568.db2.gz DVKWUXRVTPFFLI-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000235230808 635571535 /nfs/dbraw/zinc/57/15/35/635571535.db2.gz IAHRQFRXXMJXGQ-QJPTWQEYSA-N 2 1 246.420 1.173 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000308735501 631557211 /nfs/dbraw/zinc/55/72/11/631557211.db2.gz ZFYPPJSTRXHDOL-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000308735501 631557217 /nfs/dbraw/zinc/55/72/17/631557217.db2.gz ZFYPPJSTRXHDOL-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]1CO ZINC000934016673 631614497 /nfs/dbraw/zinc/61/44/97/631614497.db2.gz JTTKYQVLMYRSMT-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]1CO ZINC000934016673 631614502 /nfs/dbraw/zinc/61/45/02/631614502.db2.gz JTTKYQVLMYRSMT-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(CO)CC1 ZINC000258980465 631706541 /nfs/dbraw/zinc/70/65/41/631706541.db2.gz UPBLVFREBLBFPX-UHFFFAOYSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309060180 631835666 /nfs/dbraw/zinc/83/56/66/631835666.db2.gz XIZFDLMKCJJTLR-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](CO)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000049752930 631915120 /nfs/dbraw/zinc/91/51/20/631915120.db2.gz XEKCHCHNOYPXCX-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849012724 631936176 /nfs/dbraw/zinc/93/61/76/631936176.db2.gz VLUHDODCPSTOEM-LBPRGKRZSA-N 2 1 238.379 1.194 20 0 BDADMP CCN(CC)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091543923 632069241 /nfs/dbraw/zinc/06/92/41/632069241.db2.gz ZDNITUOOFJGGOC-HZSPNIEDSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091543923 632069244 /nfs/dbraw/zinc/06/92/44/632069244.db2.gz ZDNITUOOFJGGOC-HZSPNIEDSA-N 2 1 239.407 1.530 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000251733585 635706162 /nfs/dbraw/zinc/70/61/62/635706162.db2.gz KLBNTQSJGSGLFE-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCOC2)CC[NH2+]1 ZINC000235366593 632680240 /nfs/dbraw/zinc/68/02/40/632680240.db2.gz PNJSQFKGUVGQGK-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]([N@H+](C)C[C@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983077 632690121 /nfs/dbraw/zinc/69/01/21/632690121.db2.gz GJRNJCBDBJNOBE-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983077 632690123 /nfs/dbraw/zinc/69/01/23/632690123.db2.gz GJRNJCBDBJNOBE-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC1(C)C ZINC000310568869 632760620 /nfs/dbraw/zinc/76/06/20/632760620.db2.gz YPMIOJNIOIIISP-STQMWFEESA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000310568869 632760625 /nfs/dbraw/zinc/76/06/25/632760625.db2.gz YPMIOJNIOIIISP-STQMWFEESA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccnnc1 ZINC000926753749 632980676 /nfs/dbraw/zinc/98/06/76/632980676.db2.gz IXHTXGMLXVPWNM-QWHCGFSZSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccnnc1 ZINC000926753749 632980683 /nfs/dbraw/zinc/98/06/83/632980683.db2.gz IXHTXGMLXVPWNM-QWHCGFSZSA-N 2 1 248.374 1.859 20 0 BDADMP CCc1cc(N[C@H]2CCC[NH2+][C@@H]2C)nc(C)[nH+]1 ZINC000229599744 632981211 /nfs/dbraw/zinc/98/12/11/632981211.db2.gz AXGJAOLMNIRMLG-SKDRFNHKSA-N 2 1 234.347 1.900 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC000309371642 632986010 /nfs/dbraw/zinc/98/60/10/632986010.db2.gz POEMHOXNCQWNIT-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000309396783 633011312 /nfs/dbraw/zinc/01/13/12/633011312.db2.gz ILUYTEDGPYRZAY-NTZNESFSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309396783 633011315 /nfs/dbraw/zinc/01/13/15/633011315.db2.gz ILUYTEDGPYRZAY-NTZNESFSSA-N 2 1 226.364 1.220 20 0 BDADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000892622350 633019347 /nfs/dbraw/zinc/01/93/47/633019347.db2.gz JCAACSDDRCOEGN-UHFFFAOYSA-N 2 1 249.314 1.973 20 0 BDADMP CCCCOCC[NH2+]C1CC[NH+](C)CC1 ZINC000040505997 633817832 /nfs/dbraw/zinc/81/78/32/633817832.db2.gz LOTVOESYRHKOIZ-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925503081 633827699 /nfs/dbraw/zinc/82/76/99/633827699.db2.gz MWAAJCWIPBRCLT-NWDGAFQWSA-N 3 1 227.396 1.434 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000895442713 636144719 /nfs/dbraw/zinc/14/47/19/636144719.db2.gz KIIUVAXSUPZHNS-ZIAGYGMSSA-N 2 1 238.375 1.297 20 0 BDADMP Cc1cc(F)ncc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893304061 634124361 /nfs/dbraw/zinc/12/43/61/634124361.db2.gz JUZLBFAPXZRRFV-UHFFFAOYSA-N 2 1 249.333 1.881 20 0 BDADMP CC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925620740 634181892 /nfs/dbraw/zinc/18/18/92/634181892.db2.gz AGAKYWIOCPQDMF-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP CC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925620739 634182205 /nfs/dbraw/zinc/18/22/05/634182205.db2.gz AGAKYWIOCPQDMF-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925628008 634184166 /nfs/dbraw/zinc/18/41/66/634184166.db2.gz DGAUYFZNBJYLTR-CHWSQXEVSA-N 2 1 231.343 1.750 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925628009 634184230 /nfs/dbraw/zinc/18/42/30/634184230.db2.gz DGAUYFZNBJYLTR-OLZOCXBDSA-N 2 1 231.343 1.750 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925644001 634196213 /nfs/dbraw/zinc/19/62/13/634196213.db2.gz LKEDADVJWTXYEH-RYUDHWBXSA-N 2 1 222.332 1.553 20 0 BDADMP OC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925677301 634267864 /nfs/dbraw/zinc/26/78/64/634267864.db2.gz SIZUXVDZQQNPGA-STQMWFEESA-N 2 1 238.375 1.412 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925682272 634282723 /nfs/dbraw/zinc/28/27/23/634282723.db2.gz VUJUTCVPZCQTLR-QWRGUYRKSA-N 2 1 226.364 1.410 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC=CO1 ZINC000193880009 634295502 /nfs/dbraw/zinc/29/55/02/634295502.db2.gz HMXUHRVALVDHPH-AWEZNQCLSA-N 2 1 238.375 1.953 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925691785 634318837 /nfs/dbraw/zinc/31/88/37/634318837.db2.gz JUSYVQYMORMTOC-FPMFFAJLSA-N 3 1 239.407 1.482 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925691787 634321080 /nfs/dbraw/zinc/32/10/80/634321080.db2.gz JUSYVQYMORMTOC-IACUBPJLSA-N 3 1 239.407 1.482 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000925691977 634323251 /nfs/dbraw/zinc/32/32/51/634323251.db2.gz NXGSRWIBYKYLNS-CMPLNLGQSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)[NH2+]2 ZINC000925693262 634326649 /nfs/dbraw/zinc/32/66/49/634326649.db2.gz QWGRMAMMBJBRNT-SGUQZDGRSA-N 3 1 249.402 1.388 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925698122 634361773 /nfs/dbraw/zinc/36/17/73/634361773.db2.gz BZEJCTSTDSBZBZ-YPMHNXCESA-N 2 1 221.348 1.403 20 0 BDADMP C[C@@H]([NH3+])[C@@H](NCC(F)(F)C[NH3+])c1ccccc1 ZINC000925698696 634363788 /nfs/dbraw/zinc/36/37/88/634363788.db2.gz LSANWRPGHATRAW-MWLCHTKSSA-N 2 1 243.301 1.259 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925772898 635218263 /nfs/dbraw/zinc/21/82/63/635218263.db2.gz LEQLUUZFYDNRHQ-XQQFMLRXSA-N 2 1 238.375 1.676 20 0 BDADMP Cn1cncc1CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000314834884 635238701 /nfs/dbraw/zinc/23/87/01/635238701.db2.gz GFQQFWATTOECCY-LBPRGKRZSA-N 2 1 236.363 1.023 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000925775071 635242410 /nfs/dbraw/zinc/24/24/10/635242410.db2.gz ZWFRGLBXGHTYLS-XQQFMLRXSA-N 2 1 238.375 1.676 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCC2 ZINC000925781916 635273566 /nfs/dbraw/zinc/27/35/66/635273566.db2.gz HPGICSLQGICUEI-FVCCEPFGSA-N 2 1 238.375 1.532 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCC2 ZINC000925781913 635275632 /nfs/dbraw/zinc/27/56/32/635275632.db2.gz HPGICSLQGICUEI-FDYHWXHSSA-N 2 1 238.375 1.532 20 0 BDADMP CN(C)c1ccnc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925813490 635373939 /nfs/dbraw/zinc/37/39/39/635373939.db2.gz UIMMVJVNXVIIIO-RISCZKNCSA-N 2 1 248.374 1.365 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)C[C@]1(C)CCC[NH2+]C1 ZINC000252577903 636769929 /nfs/dbraw/zinc/76/99/29/636769929.db2.gz JWXFMNCSCJZUAF-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CCO[C@@H](C[NH2+]C1CC(C(C)C)C1)C[NH+](C)C ZINC000926963118 636974230 /nfs/dbraw/zinc/97/42/30/636974230.db2.gz SIYFRFKJOXYMSI-RUXDESIVSA-N 2 1 242.407 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@H](CC)[C@@H]1C[C@@H]1C)C[NH+](C)C ZINC000926961597 636974461 /nfs/dbraw/zinc/97/44/61/636974461.db2.gz PMLUCIREIHWPCI-REWJHTLYSA-N 2 1 242.407 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@H](COC)C(C)C)C[NH+](C)C ZINC000926966051 636975681 /nfs/dbraw/zinc/97/56/81/636975681.db2.gz VNVVHNPRCJYDJR-CHWSQXEVSA-N 2 1 246.395 1.214 20 0 BDADMP CCO[C@H](C[NH2+]C1CC(C)(C)C1)C[NH+](C)C ZINC000926964959 636977400 /nfs/dbraw/zinc/97/74/00/636977400.db2.gz YULWBRQEDRAJQK-GFCCVEGCSA-N 2 1 228.380 1.731 20 0 BDADMP c1csc(CC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041225089 636978240 /nfs/dbraw/zinc/97/82/40/636978240.db2.gz VUTQRNINRQIVLX-UHFFFAOYSA-N 2 1 210.346 1.586 20 0 BDADMP c1csc(CC[N@H+]2CCC[NH2+]CC2)c1 ZINC000041225089 636978255 /nfs/dbraw/zinc/97/82/55/636978255.db2.gz VUTQRNINRQIVLX-UHFFFAOYSA-N 2 1 210.346 1.586 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000924705745 637013381 /nfs/dbraw/zinc/01/33/81/637013381.db2.gz MIJRMOABVUSCGC-JHJVBQTASA-N 2 1 240.391 1.589 20 0 BDADMP C[N@@H+](CCN1CCCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461628 637362832 /nfs/dbraw/zinc/36/28/32/637362832.db2.gz WMIHRANOTXPFRW-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP CN(CC[NH+]1CCCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461628 637362839 /nfs/dbraw/zinc/36/28/39/637362839.db2.gz WMIHRANOTXPFRW-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463590 637365111 /nfs/dbraw/zinc/36/51/11/637365111.db2.gz GEXPWAMAQGOXTG-MQYQWHSLSA-N 2 1 240.391 1.597 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721988 637378545 /nfs/dbraw/zinc/37/85/45/637378545.db2.gz GSVIWTRPJXXNNY-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000903789063 637384163 /nfs/dbraw/zinc/38/41/63/637384163.db2.gz UBTUCISRMNKBBZ-KPFVRQRISA-N 2 1 210.365 1.949 20 0 BDADMP CC1CC(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000903789042 637384282 /nfs/dbraw/zinc/38/42/82/637384282.db2.gz SYVOHZKGWCSKNV-IFWUJCSASA-N 2 1 208.349 1.574 20 0 BDADMP Cc1ccc(CCC[NH2+]CC2([NH3+])CC2)cn1 ZINC000904443529 637410856 /nfs/dbraw/zinc/41/08/56/637410856.db2.gz LCDPGFBPOMOZRR-UHFFFAOYSA-N 2 1 219.332 1.404 20 0 BDADMP [NH3+]C[C@H](c1nc(C2([NH3+])CC2)no1)c1ccccc1 ZINC000905313661 637741999 /nfs/dbraw/zinc/74/19/99/637741999.db2.gz APOCAYWVGYGLIY-JTQLQIEISA-N 2 1 244.298 1.108 20 0 BDADMP [NH3+]C1(c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)CC1 ZINC000905315936 637743655 /nfs/dbraw/zinc/74/36/55/637743655.db2.gz ZTQOQYMSPOLHCQ-BBBLOLIVSA-N 2 1 248.330 1.611 20 0 BDADMP CC(C)C[C@H](C[NH3+])Cc1nc(C2([NH3+])CC2)no1 ZINC000905328174 637760747 /nfs/dbraw/zinc/76/07/47/637760747.db2.gz ZGXQTYXQSHVYSC-VIFPVBQESA-N 2 1 238.335 1.181 20 0 BDADMP CCC[C@H](C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905422870 637804459 /nfs/dbraw/zinc/80/44/59/637804459.db2.gz JSCCSVWUTYZFRC-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905422870 637804462 /nfs/dbraw/zinc/80/44/62/637804462.db2.gz JSCCSVWUTYZFRC-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP COc1ccc(OC)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508006 638179920 /nfs/dbraw/zinc/17/99/20/638179920.db2.gz GXORIOPDJYKURJ-XYPYZODXSA-N 2 1 236.315 1.283 20 0 BDADMP Cc1ccc(F)c(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906509292 638181278 /nfs/dbraw/zinc/18/12/78/638181278.db2.gz FXRWATGHQGWCBG-UHFFFAOYSA-N 2 1 208.280 1.713 20 0 BDADMP CCc1nn(C)c(CC)c1C[NH2+]C1CC([NH3+])C1 ZINC000906509501 638181820 /nfs/dbraw/zinc/18/18/20/638181820.db2.gz GNNMJQFYDCYCCB-UHFFFAOYSA-N 2 1 236.363 1.124 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000906510590 638184237 /nfs/dbraw/zinc/18/42/37/638184237.db2.gz MPXRUJDDMBTKFW-UHFFFAOYSA-N 2 1 242.326 1.452 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CCCCCC[NH3+] ZINC000385832737 711455839 /nfs/dbraw/zinc/45/58/39/711455839.db2.gz LYDQVZSYUMXFNX-NSHDSACASA-N 2 1 202.342 1.208 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930575793 639813278 /nfs/dbraw/zinc/81/32/78/639813278.db2.gz FGSXGXHSHWPSAO-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931038485 640034017 /nfs/dbraw/zinc/03/40/17/640034017.db2.gz RPAJRLHOEDIIQD-YPMHNXCESA-N 2 1 236.363 1.216 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC000931279163 640133648 /nfs/dbraw/zinc/13/36/48/640133648.db2.gz ZYAVVUNFYQXDHL-NDBYEHHHSA-N 2 1 224.348 1.047 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC000931279163 640133649 /nfs/dbraw/zinc/13/36/49/640133649.db2.gz ZYAVVUNFYQXDHL-NDBYEHHHSA-N 2 1 224.348 1.047 20 0 BDADMP CC(C)=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280738 640133745 /nfs/dbraw/zinc/13/37/45/640133745.db2.gz ISNHZDYNNKVKOY-ITGUQSILSA-N 2 1 208.349 1.835 20 0 BDADMP CC(C)=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280738 640133755 /nfs/dbraw/zinc/13/37/55/640133755.db2.gz ISNHZDYNNKVKOY-ITGUQSILSA-N 2 1 208.349 1.835 20 0 BDADMP FCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288618 640136666 /nfs/dbraw/zinc/13/66/66/640136666.db2.gz PWNDFNHLPDBULN-UHFFFAOYSA-N 2 1 244.354 1.533 20 0 BDADMP FCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288618 640136673 /nfs/dbraw/zinc/13/66/73/640136673.db2.gz PWNDFNHLPDBULN-UHFFFAOYSA-N 2 1 244.354 1.533 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H]3CCOC3)C[C@]2(C)C1 ZINC000931305889 640142228 /nfs/dbraw/zinc/14/22/28/640142228.db2.gz IPKLKWZJTJZXKG-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H]3CCOC3)C[C@]2(C)C1 ZINC000931305889 640142231 /nfs/dbraw/zinc/14/22/31/640142231.db2.gz IPKLKWZJTJZXKG-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H]3CCOC3)C[C@]2(C)C1 ZINC000931305889 640142232 /nfs/dbraw/zinc/14/22/32/640142232.db2.gz IPKLKWZJTJZXKG-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H]3CCOC3)C[C@]2(C)C1 ZINC000931305889 640142233 /nfs/dbraw/zinc/14/22/33/640142233.db2.gz IPKLKWZJTJZXKG-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP COCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305302 640143654 /nfs/dbraw/zinc/14/36/54/640143654.db2.gz CMHPLSJGWXMMQU-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP COCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305302 640143662 /nfs/dbraw/zinc/14/36/62/640143662.db2.gz CMHPLSJGWXMMQU-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP COCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931305302 640143668 /nfs/dbraw/zinc/14/36/68/640143668.db2.gz CMHPLSJGWXMMQU-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP COCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931305302 640143676 /nfs/dbraw/zinc/14/36/76/640143676.db2.gz CMHPLSJGWXMMQU-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+]1C[C@@]2(C)C[NH+](CCn3cccn3)C[C@]2(C)C1 ZINC000931309499 640145619 /nfs/dbraw/zinc/14/56/19/640145619.db2.gz YADBQKMNWRZUOS-KBPBESRZSA-N 2 1 248.374 1.157 20 0 BDADMP CC[C@H](CO)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931316229 640154272 /nfs/dbraw/zinc/15/42/72/640154272.db2.gz HSRLQYJNLPTAPQ-JHJVBQTASA-N 2 1 226.364 1.031 20 0 BDADMP CSC[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354801 640167553 /nfs/dbraw/zinc/16/75/53/640167553.db2.gz NQLPYPRDYZVCFM-NSHDSACASA-N 2 1 246.420 1.126 20 0 BDADMP COC[C@@H](C)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351930 640167759 /nfs/dbraw/zinc/16/77/59/640167759.db2.gz YNHORFRFGOURDM-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP CSCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430428 640198325 /nfs/dbraw/zinc/19/83/25/640198325.db2.gz BZCCPIHISFDQQA-WDEREUQCSA-N 2 1 214.378 1.233 20 0 BDADMP CSCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430428 640198330 /nfs/dbraw/zinc/19/83/30/640198330.db2.gz BZCCPIHISFDQQA-WDEREUQCSA-N 2 1 214.378 1.233 20 0 BDADMP CSCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430428 640198334 /nfs/dbraw/zinc/19/83/34/640198334.db2.gz BZCCPIHISFDQQA-WDEREUQCSA-N 2 1 214.378 1.233 20 0 BDADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)on1 ZINC000931432254 640198463 /nfs/dbraw/zinc/19/84/63/640198463.db2.gz ZWEXQVCRVSWDMR-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)on1 ZINC000931432254 640198467 /nfs/dbraw/zinc/19/84/67/640198467.db2.gz ZWEXQVCRVSWDMR-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)on1 ZINC000931432254 640198474 /nfs/dbraw/zinc/19/84/74/640198474.db2.gz ZWEXQVCRVSWDMR-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)on1 ZINC000931432254 640198479 /nfs/dbraw/zinc/19/84/79/640198479.db2.gz ZWEXQVCRVSWDMR-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)on1 ZINC000931432254 640198482 /nfs/dbraw/zinc/19/84/82/640198482.db2.gz ZWEXQVCRVSWDMR-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP CC[C@H](C)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434904 640201957 /nfs/dbraw/zinc/20/19/57/640201957.db2.gz AOTSPEFTFSOKSL-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434904 640201961 /nfs/dbraw/zinc/20/19/61/640201961.db2.gz AOTSPEFTFSOKSL-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434904 640201966 /nfs/dbraw/zinc/20/19/66/640201966.db2.gz AOTSPEFTFSOKSL-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC(C)(C)C)C[C@@H]2C1 ZINC000931433988 640203072 /nfs/dbraw/zinc/20/30/72/640203072.db2.gz LPXIFNMMFUCXJN-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC(C)(C)C)C[C@@H]2C1 ZINC000931433988 640203075 /nfs/dbraw/zinc/20/30/75/640203075.db2.gz LPXIFNMMFUCXJN-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC(C)(C)C)C[C@@H]2C1 ZINC000931433988 640203081 /nfs/dbraw/zinc/20/30/81/640203081.db2.gz LPXIFNMMFUCXJN-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2C1 ZINC000931438695 640204046 /nfs/dbraw/zinc/20/40/46/640204046.db2.gz XZZUGFRUQKQBHU-MNOVXSKESA-N 2 1 248.317 1.152 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2C1 ZINC000931438695 640204052 /nfs/dbraw/zinc/20/40/52/640204052.db2.gz XZZUGFRUQKQBHU-MNOVXSKESA-N 2 1 248.317 1.152 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2C1 ZINC000931438695 640204054 /nfs/dbraw/zinc/20/40/54/640204054.db2.gz XZZUGFRUQKQBHU-MNOVXSKESA-N 2 1 248.317 1.152 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3F)C[C@@H]2C1 ZINC000931441680 640206790 /nfs/dbraw/zinc/20/67/90/640206790.db2.gz MTFISMSIXMGLET-YPMHNXCESA-N 2 1 249.333 1.604 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3F)C[C@@H]2C1 ZINC000931441680 640206797 /nfs/dbraw/zinc/20/67/97/640206797.db2.gz MTFISMSIXMGLET-YPMHNXCESA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3F)C[C@@H]2C1 ZINC000931441680 640206802 /nfs/dbraw/zinc/20/68/02/640206802.db2.gz MTFISMSIXMGLET-YPMHNXCESA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3F)C[C@@H]2C1 ZINC000931441680 640206804 /nfs/dbraw/zinc/20/68/04/640206804.db2.gz MTFISMSIXMGLET-YPMHNXCESA-N 2 1 249.333 1.604 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000931440364 640207265 /nfs/dbraw/zinc/20/72/65/640207265.db2.gz WYWBCHGYRITSFK-NEPJUHHUSA-N 2 1 226.440 1.747 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000931440364 640207272 /nfs/dbraw/zinc/20/72/72/640207272.db2.gz WYWBCHGYRITSFK-NEPJUHHUSA-N 2 1 226.440 1.747 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000931440364 640207278 /nfs/dbraw/zinc/20/72/78/640207278.db2.gz WYWBCHGYRITSFK-NEPJUHHUSA-N 2 1 226.440 1.747 20 0 BDADMP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)Cc2c[nH]nc21 ZINC000931462848 640224695 /nfs/dbraw/zinc/22/46/95/640224695.db2.gz SNLMXXWNRBWTRV-SNVBAGLBSA-N 2 1 245.330 1.305 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)Cc2c[nH]nc21 ZINC000931462848 640224698 /nfs/dbraw/zinc/22/46/98/640224698.db2.gz SNLMXXWNRBWTRV-SNVBAGLBSA-N 2 1 245.330 1.305 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+]([C@@H]1CCCC[C@H]1O)CC2 ZINC000931508490 640238379 /nfs/dbraw/zinc/23/83/79/640238379.db2.gz IJYIICSHOOAAST-ZIAGYGMSSA-N 2 1 247.342 1.325 20 0 BDADMP Nc1cc[nH+]c2c1C[N@H+]([C@@H]1CCCC[C@H]1O)CC2 ZINC000931508490 640238383 /nfs/dbraw/zinc/23/83/83/640238383.db2.gz IJYIICSHOOAAST-ZIAGYGMSSA-N 2 1 247.342 1.325 20 0 BDADMP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1CCCOC1)CC2 ZINC000931514693 640242434 /nfs/dbraw/zinc/24/24/34/640242434.db2.gz XBDRRMBEXQCZEG-LLVKDONJSA-N 2 1 247.342 1.449 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](C[C@H]1CCCOC1)CC2 ZINC000931514693 640242445 /nfs/dbraw/zinc/24/24/45/640242445.db2.gz XBDRRMBEXQCZEG-LLVKDONJSA-N 2 1 247.342 1.449 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518223 640244529 /nfs/dbraw/zinc/24/45/29/640244529.db2.gz OCVBHYFNRZBFQA-GHMZBOCLSA-N 2 1 247.342 1.589 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518223 640244533 /nfs/dbraw/zinc/24/45/33/640244533.db2.gz OCVBHYFNRZBFQA-GHMZBOCLSA-N 2 1 247.342 1.589 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(C)[nH+]1 ZINC000931548295 640267032 /nfs/dbraw/zinc/26/70/32/640267032.db2.gz YJABHFDKGPYUKV-OCCSQVGLSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000931548295 640267035 /nfs/dbraw/zinc/26/70/35/640267035.db2.gz YJABHFDKGPYUKV-OCCSQVGLSA-N 2 1 248.374 1.553 20 0 BDADMP CC(C)CCOCC[NH2+]C1CC[NH+](C)CC1 ZINC000044387398 640289270 /nfs/dbraw/zinc/28/92/70/640289270.db2.gz ALXAIYQFHOQTQW-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000044518005 640399857 /nfs/dbraw/zinc/39/98/57/640399857.db2.gz WPLIAADPYAYZEZ-UHFFFAOYSA-N 3 1 236.363 1.123 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000058124387 640677883 /nfs/dbraw/zinc/67/78/83/640677883.db2.gz HNZQMDRQBZIDTJ-LLVKDONJSA-N 2 1 236.363 1.540 20 0 BDADMP C[C@@H]1CC[N@H+](C/C=C/Cl)C[C@@H]1C[NH3+] ZINC000167652729 640737606 /nfs/dbraw/zinc/73/76/06/640737606.db2.gz CCBWIFRVKYZHKZ-WMSLEYKJSA-N 2 1 202.729 1.656 20 0 BDADMP C[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@@H]1C[NH3+] ZINC000167652729 640737613 /nfs/dbraw/zinc/73/76/13/640737613.db2.gz CCBWIFRVKYZHKZ-WMSLEYKJSA-N 2 1 202.729 1.656 20 0 BDADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000226895550 640803813 /nfs/dbraw/zinc/80/38/13/640803813.db2.gz NYLNXGSRKPOLOO-KOLCDFICSA-N 2 1 239.388 1.739 20 0 BDADMP Cc1ncsc1C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000226895550 640803816 /nfs/dbraw/zinc/80/38/16/640803816.db2.gz NYLNXGSRKPOLOO-KOLCDFICSA-N 2 1 239.388 1.739 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC000228225861 640866299 /nfs/dbraw/zinc/86/62/99/640866299.db2.gz KUJJRLKOBZMIKU-MJBXVCDLSA-N 2 1 237.391 1.284 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000062868022 641102336 /nfs/dbraw/zinc/10/23/36/641102336.db2.gz IBSLNQJHMBIJJZ-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]CCc1c[nH+]cn1C ZINC000934230283 641108428 /nfs/dbraw/zinc/10/84/28/641108428.db2.gz OVAWXBDDUTWSSO-LBPRGKRZSA-N 2 1 244.342 1.578 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCOC12CCCC2 ZINC000934381831 641136793 /nfs/dbraw/zinc/13/67/93/641136793.db2.gz OGRJVLGTASMWDV-ZDUSSCGKSA-N 2 1 249.358 1.883 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934621781 641211216 /nfs/dbraw/zinc/21/12/16/641211216.db2.gz LLUCYNSCKLWGPR-FRRDWIJNSA-N 2 1 226.364 1.243 20 0 BDADMP C[N@@H+](C[C@@H](O)CC1CCCC1)CC(C)(C)C[NH3+] ZINC000232148696 641249523 /nfs/dbraw/zinc/24/95/23/641249523.db2.gz NYLCBQNRWWIKQQ-ZDUSSCGKSA-N 2 1 242.407 1.844 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](C1CC1)C(C)(C)C ZINC000323948850 641310988 /nfs/dbraw/zinc/31/09/88/641310988.db2.gz CJTUSLSPVIXATB-NWDGAFQWSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000130067834 641332377 /nfs/dbraw/zinc/33/23/77/641332377.db2.gz VAEVIKBARYCQOI-WODVXLOZSA-N 2 1 225.380 1.151 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000232671838 641338173 /nfs/dbraw/zinc/33/81/73/641338173.db2.gz YQLWXDSFGNWOQN-GFCCVEGCSA-N 2 1 214.353 1.330 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000232673541 641341127 /nfs/dbraw/zinc/34/11/27/641341127.db2.gz YQLWXDSFGNWOQN-LBPRGKRZSA-N 2 1 214.353 1.330 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000042570127 641553066 /nfs/dbraw/zinc/55/30/66/641553066.db2.gz MKRKSJHGQATBGY-RYUDHWBXSA-N 2 1 216.369 1.467 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCC(C)(C)O1 ZINC000714375681 711505594 /nfs/dbraw/zinc/50/55/94/711505594.db2.gz WBNVAGAHXNHORI-NSHDSACASA-N 2 1 214.353 1.615 20 0 BDADMP c1csc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994609 641705775 /nfs/dbraw/zinc/70/57/75/641705775.db2.gz FBKGKNRSFXXFJM-CYBMUJFWSA-N 2 1 236.384 1.976 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000252765251 643111096 /nfs/dbraw/zinc/11/10/96/643111096.db2.gz FSGVHGZVTFPSMO-GDLCADMTSA-N 2 1 231.343 1.425 20 0 BDADMP CC(C)([NH3+])CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304570070 643128293 /nfs/dbraw/zinc/12/82/93/643128293.db2.gz HXKCFYPKOLQPCY-VXGBXAGGSA-N 2 1 225.380 1.330 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304570070 643128299 /nfs/dbraw/zinc/12/82/99/643128299.db2.gz HXKCFYPKOLQPCY-VXGBXAGGSA-N 3 1 225.380 1.330 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304570070 643128306 /nfs/dbraw/zinc/12/83/06/643128306.db2.gz HXKCFYPKOLQPCY-VXGBXAGGSA-N 3 1 225.380 1.330 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000253100452 643164837 /nfs/dbraw/zinc/16/48/37/643164837.db2.gz QCFIWQOXKNHPGH-XDQVBPFNSA-N 2 1 246.354 1.880 20 0 BDADMP C[C@H]1CC[N@@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000253207290 643185327 /nfs/dbraw/zinc/18/53/27/643185327.db2.gz HCKZWULLMOEZIX-UONOGXRCSA-N 2 1 248.370 1.982 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 ZINC000082485463 643320540 /nfs/dbraw/zinc/32/05/40/643320540.db2.gz XVIXYQYWJITSHT-LBPRGKRZSA-N 2 1 227.396 1.386 20 0 BDADMP COC[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016202 643523632 /nfs/dbraw/zinc/52/36/32/643523632.db2.gz HKONFWNDQYOSDQ-WOPDTQHZSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014645 643523705 /nfs/dbraw/zinc/52/37/05/643523705.db2.gz CWVLZEWZFZLPGL-KXNHARMFSA-N 2 1 212.337 1.223 20 0 BDADMP C[N@H+](Cc1cscn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015438 643523952 /nfs/dbraw/zinc/52/39/52/643523952.db2.gz SMHFRTSRDIGUPZ-ZJUUUORDSA-N 2 1 225.361 1.702 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCCCO)CC[C@@H]1[NH3+] ZINC000234195061 643572449 /nfs/dbraw/zinc/57/24/49/643572449.db2.gz VCHLNCUGOOMGCH-STQMWFEESA-N 2 1 228.380 1.598 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083525975 643584987 /nfs/dbraw/zinc/58/49/87/643584987.db2.gz UFCQMJACQQTLNM-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP CCc1cc(N2CC[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000084082122 643645183 /nfs/dbraw/zinc/64/51/83/643645183.db2.gz MORSYDVCNXYTLN-SNVBAGLBSA-N 2 1 220.320 1.132 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCCCO2)CC[NH2+]1 ZINC000261542273 643653265 /nfs/dbraw/zinc/65/32/65/643653265.db2.gz OMLAMBOTMLBEOH-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C1=CO[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000050269017 643672440 /nfs/dbraw/zinc/67/24/40/643672440.db2.gz SHPMZEKFWVCFMB-AWEZNQCLSA-N 2 1 236.359 1.896 20 0 BDADMP CC[C@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014742 643678890 /nfs/dbraw/zinc/67/88/90/643678890.db2.gz URHBYDTXHDXIHN-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](CCn1cccn1)C1CCC([NH3+])CC1 ZINC000085870177 643824257 /nfs/dbraw/zinc/82/42/57/643824257.db2.gz PQOYCSIKAQQKGC-UHFFFAOYSA-N 2 1 222.336 1.085 20 0 BDADMP CCO[C@H](C[NH2+]C1CCSCC1)C[NH+](C)C ZINC000922759619 644089645 /nfs/dbraw/zinc/08/96/45/644089645.db2.gz INMYZPHYESGQHJ-GFCCVEGCSA-N 2 1 246.420 1.438 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCCCO ZINC000228659088 644140082 /nfs/dbraw/zinc/14/00/82/644140082.db2.gz OXVMYWUBVQFXLJ-RYUDHWBXSA-N 2 1 214.353 1.208 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1c1cc[nH+]cc1Cl ZINC000086840570 644186073 /nfs/dbraw/zinc/18/60/73/644186073.db2.gz YKHSLACLFBTPNJ-VIFPVBQESA-N 2 1 225.723 1.923 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000076683439 644250224 /nfs/dbraw/zinc/25/02/24/644250224.db2.gz KWEXUGZZCUEODM-GFCCVEGCSA-N 2 1 236.363 1.208 20 0 BDADMP COC[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000081079747 644306506 /nfs/dbraw/zinc/30/65/06/644306506.db2.gz AJQQHKHJSNMZKC-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279687 644312634 /nfs/dbraw/zinc/31/26/34/644312634.db2.gz BGBOFHCFNYIION-CPIKKWJDSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923279687 644312640 /nfs/dbraw/zinc/31/26/40/644312640.db2.gz BGBOFHCFNYIION-CPIKKWJDSA-N 3 1 237.391 1.330 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000923281731 644314150 /nfs/dbraw/zinc/31/41/50/644314150.db2.gz ROZCHHSNIZDBPV-ZFWWWQNUSA-N 2 1 248.370 1.699 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H](O)CCC(C)C)CC1 ZINC000923287113 644320221 /nfs/dbraw/zinc/32/02/21/644320221.db2.gz OKNVSBJORDEPEB-CYBMUJFWSA-N 2 1 228.380 1.467 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923288753 644322947 /nfs/dbraw/zinc/32/29/47/644322947.db2.gz CEFJUKNVQGSCEX-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288769 644323717 /nfs/dbraw/zinc/32/37/17/644323717.db2.gz AOAJPILJNWUNJF-BXKDBHETSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288769 644323722 /nfs/dbraw/zinc/32/37/22/644323722.db2.gz AOAJPILJNWUNJF-BXKDBHETSA-N 2 1 237.347 1.715 20 0 BDADMP CCOCCOCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923290531 644325153 /nfs/dbraw/zinc/32/51/53/644325153.db2.gz YNUBTKUYJKVDIE-QWHCGFSZSA-N 2 1 244.379 1.099 20 0 BDADMP C[N@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298345 644338039 /nfs/dbraw/zinc/33/80/39/644338039.db2.gz AQFYZJVLHJWGDK-CQSZACIVSA-N 2 1 246.354 1.497 20 0 BDADMP C[N@H+](Cc1ccsc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923302894 644340221 /nfs/dbraw/zinc/34/02/21/644340221.db2.gz WZBXLCVYQQRMSM-DCAQKATOSA-N 2 1 226.345 1.031 20 0 BDADMP C[N@@H+](Cc1ccsc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923302894 644340232 /nfs/dbraw/zinc/34/02/32/644340232.db2.gz WZBXLCVYQQRMSM-DCAQKATOSA-N 2 1 226.345 1.031 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314597 644342019 /nfs/dbraw/zinc/34/20/19/644342019.db2.gz BGDKWBOFJONQDX-XQQFMLRXSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@@H+](CCCc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303385 644342419 /nfs/dbraw/zinc/34/24/19/644342419.db2.gz LETVAQKEBTUHAX-KKUMJFAQSA-N 2 1 248.370 1.402 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315153 644343850 /nfs/dbraw/zinc/34/38/50/644343850.db2.gz QDXMDRMYKDYCQH-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310214 644346517 /nfs/dbraw/zinc/34/65/17/644346517.db2.gz ZBWRMVLXWYXFIX-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+]CC[N@H+](CCO)CC1CCC2(CC2)CC1 ZINC000923332335 644354887 /nfs/dbraw/zinc/35/48/87/644354887.db2.gz SIPBQGTZHGNRMT-UHFFFAOYSA-N 2 1 226.364 1.210 20 0 BDADMP [NH3+]CC[N@@H+](CCO)CC1CCC2(CC2)CC1 ZINC000923332335 644354890 /nfs/dbraw/zinc/35/48/90/644354890.db2.gz SIPBQGTZHGNRMT-UHFFFAOYSA-N 2 1 226.364 1.210 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923335176 644356669 /nfs/dbraw/zinc/35/66/69/644356669.db2.gz LXGFTRMHODGCBD-KBPBESRZSA-N 2 1 242.407 1.857 20 0 BDADMP CCc1ncc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000923348433 644359569 /nfs/dbraw/zinc/35/95/69/644359569.db2.gz GYKDGBPRSALHHW-NSHDSACASA-N 2 1 237.347 1.798 20 0 BDADMP C[C@H](O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000923352267 644370651 /nfs/dbraw/zinc/37/06/51/644370651.db2.gz CLGFVTNOJQAYNU-NSHDSACASA-N 2 1 214.353 1.208 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356897 644375821 /nfs/dbraw/zinc/37/58/21/644375821.db2.gz VOMRJNMLPGYGBM-UONOGXRCSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000923366183 644378889 /nfs/dbraw/zinc/37/88/89/644378889.db2.gz KOCJNCPNTDXLDJ-APYLGABCSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000923366183 644378893 /nfs/dbraw/zinc/37/88/93/644378893.db2.gz KOCJNCPNTDXLDJ-APYLGABCSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N ZINC000923366183 644378895 /nfs/dbraw/zinc/37/88/95/644378895.db2.gz KOCJNCPNTDXLDJ-APYLGABCSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N ZINC000923366183 644378898 /nfs/dbraw/zinc/37/88/98/644378898.db2.gz KOCJNCPNTDXLDJ-APYLGABCSA-N 2 1 237.391 1.186 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923366200 644379053 /nfs/dbraw/zinc/37/90/53/644379053.db2.gz KXQXNEFRXHFIFV-AVGNSLFASA-N 2 1 228.380 1.597 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000923366200 644379061 /nfs/dbraw/zinc/37/90/61/644379061.db2.gz KXQXNEFRXHFIFV-AVGNSLFASA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923362661 644386055 /nfs/dbraw/zinc/38/60/55/644386055.db2.gz MFABOAFJFZPFPJ-HTAVTVPLSA-N 2 1 214.353 1.205 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923371062 644382968 /nfs/dbraw/zinc/38/29/68/644382968.db2.gz UYIILKVCTPNOSM-RFQIPJPRSA-N 2 1 242.407 1.760 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923373352 644389855 /nfs/dbraw/zinc/38/98/55/644389855.db2.gz MXHPYMONWYVEEY-XQQFMLRXSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)CCC(C)C ZINC000923379086 644392508 /nfs/dbraw/zinc/39/25/08/644392508.db2.gz ODVRNIGTARRYRL-LBPRGKRZSA-N 2 1 216.369 1.325 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H](C)C1 ZINC000923387645 644398231 /nfs/dbraw/zinc/39/82/31/644398231.db2.gz YCZHJRPKBMJVHU-JHJVBQTASA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000923397679 644404628 /nfs/dbraw/zinc/40/46/28/644404628.db2.gz FGYLWHHVDVMRPX-RBSFLKMASA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000923397679 644404631 /nfs/dbraw/zinc/40/46/31/644404631.db2.gz FGYLWHHVDVMRPX-RBSFLKMASA-N 2 1 246.354 1.533 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000923413193 644416060 /nfs/dbraw/zinc/41/60/60/644416060.db2.gz UPKBSCVMWONHMW-VHDGCEQUSA-N 2 1 248.370 1.555 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000923413879 644416273 /nfs/dbraw/zinc/41/62/73/644416273.db2.gz JJPKBRQHAATNIF-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP C/C=C/C[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413611 644416434 /nfs/dbraw/zinc/41/64/34/644416434.db2.gz WGRMDSWATWPQKN-QEKLFGDMSA-N 2 1 238.375 1.515 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923414403 644417302 /nfs/dbraw/zinc/41/73/02/644417302.db2.gz VANJMPDHTQEENJ-UPJWGTAASA-N 2 1 228.380 1.739 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000923414403 644417309 /nfs/dbraw/zinc/41/73/09/644417309.db2.gz VANJMPDHTQEENJ-UPJWGTAASA-N 2 1 228.380 1.739 20 0 BDADMP C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000923435920 644428459 /nfs/dbraw/zinc/42/84/59/644428459.db2.gz KVSKKVHLMHUQKH-SRVKXCTJSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@H+]1CCC1CC[NH2+]CC1 ZINC000923438440 644431421 /nfs/dbraw/zinc/43/14/21/644431421.db2.gz ZGMYYAHJMDCXKF-FRRDWIJNSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCC1CC[NH2+]CC1 ZINC000923438440 644431425 /nfs/dbraw/zinc/43/14/25/644431425.db2.gz ZGMYYAHJMDCXKF-FRRDWIJNSA-N 2 1 239.407 1.447 20 0 BDADMP Cc1noc([C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923486472 644456479 /nfs/dbraw/zinc/45/64/79/644456479.db2.gz QTMJMZRKKQWFCW-WCBMZHEXSA-N 2 1 224.308 1.110 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C1CC1 ZINC000923480859 644460173 /nfs/dbraw/zinc/46/01/73/644460173.db2.gz KTZUBCFXKFYOQU-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP COCCCCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495704 644462303 /nfs/dbraw/zinc/46/23/03/644462303.db2.gz FCWSKFVIZOZFCW-QWHCGFSZSA-N 2 1 228.380 1.720 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496213 644463807 /nfs/dbraw/zinc/46/38/07/644463807.db2.gz GUFFTDNJEAYKLN-NEPJUHHUSA-N 2 1 242.363 1.245 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC000923490398 644464965 /nfs/dbraw/zinc/46/49/65/644464965.db2.gz NKBMFWMNJXQCKJ-KOLCDFICSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488444 644464995 /nfs/dbraw/zinc/46/49/95/644464995.db2.gz FVWKPQROCNVFCO-CHWSQXEVSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1nccnc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491028 644466186 /nfs/dbraw/zinc/46/61/86/644466186.db2.gz QBAUHZNULNOFKG-JQWIXIFHSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@H]1C[N@@H+](CCCc2ccncc2)CC[C@H]1C[NH3+] ZINC000923492730 644467176 /nfs/dbraw/zinc/46/71/76/644467176.db2.gz CIMJNLROHRKUMR-ZFWWWQNUSA-N 2 1 247.386 1.931 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccns2)CC[C@H]1C[NH3+] ZINC000923492134 644468558 /nfs/dbraw/zinc/46/85/58/644468558.db2.gz WGEQKMQAHYPIBV-UWVGGRQHSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502571 644469635 /nfs/dbraw/zinc/46/96/35/644469635.db2.gz CASQSXVWFDLHNS-CABZTGNLSA-N 2 1 237.347 1.708 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1C[NH3+] ZINC000923494072 644470321 /nfs/dbraw/zinc/47/03/21/644470321.db2.gz VNXDWOFOAZOSRN-WDEREUQCSA-N 2 1 239.388 1.602 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2)CC[C@@H]1C[NH3+] ZINC000923497105 644470455 /nfs/dbraw/zinc/47/04/55/644470455.db2.gz KYXKCZDABBRVBD-WCQYABFASA-N 2 1 219.332 1.498 20 0 BDADMP CCc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923499449 644472769 /nfs/dbraw/zinc/47/27/69/644472769.db2.gz KXOPQQIMSMXOOE-GHMZBOCLSA-N 2 1 237.347 1.654 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccno2)CC[C@@H]1C[NH3+] ZINC000923501128 644475060 /nfs/dbraw/zinc/47/50/60/644475060.db2.gz ZDQSVUILPYRTMD-VHSXEESVSA-N 2 1 209.293 1.091 20 0 BDADMP COC[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)C ZINC000923516277 644479053 /nfs/dbraw/zinc/47/90/53/644479053.db2.gz XTZJYRCDXZWAFN-BFHYXJOUSA-N 2 1 240.391 1.446 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923529897 644482275 /nfs/dbraw/zinc/48/22/75/644482275.db2.gz CXONMMFRUKWVRR-ZIAGYGMSSA-N 2 1 240.391 1.613 20 0 BDADMP Cl/C=C\C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518310 644484012 /nfs/dbraw/zinc/48/40/12/644484012.db2.gz CSSQENZJLBWIHC-PSMNYDHOSA-N 2 1 200.713 1.280 20 0 BDADMP Cl/C=C\C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518310 644484014 /nfs/dbraw/zinc/48/40/14/644484014.db2.gz CSSQENZJLBWIHC-PSMNYDHOSA-N 2 1 200.713 1.280 20 0 BDADMP C(C[N@H+]1CCOC[C@H]1CC1CC1)[C@H]1CC[NH2+]C1 ZINC000923555238 644499050 /nfs/dbraw/zinc/49/90/50/644499050.db2.gz RXHLRUFMQVJSNM-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089145443 644536481 /nfs/dbraw/zinc/53/64/81/644536481.db2.gz NRRQAJIYAFLUQJ-TZMCWYRMSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(N)[nH+]1 ZINC000090795331 644605677 /nfs/dbraw/zinc/60/56/77/644605677.db2.gz YMNBTYAMECPSPR-ZJUUUORDSA-N 2 1 235.335 1.262 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250388668 644757095 /nfs/dbraw/zinc/75/70/95/644757095.db2.gz KOMBDRFDMLUDRU-ACJTYDJDSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1COCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251669673 644816495 /nfs/dbraw/zinc/81/64/95/644816495.db2.gz HHLJACIXQWRZSB-RLAWYHOSSA-N 2 1 238.375 1.628 20 0 BDADMP CCCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564247 644865542 /nfs/dbraw/zinc/86/55/42/644865542.db2.gz XVCJRYYZJSOVHE-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564247 644865550 /nfs/dbraw/zinc/86/55/50/644865550.db2.gz XVCJRYYZJSOVHE-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000252672818 644875335 /nfs/dbraw/zinc/87/53/35/644875335.db2.gz CZBHGXOQQSNSSI-MNOVXSKESA-N 2 1 247.346 1.406 20 0 BDADMP CC[C@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252685266 644878893 /nfs/dbraw/zinc/87/88/93/644878893.db2.gz HUPBZFSDFNDFLZ-QWRGUYRKSA-N 2 1 202.342 1.063 20 0 BDADMP Cn1ccnc1[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000843389747 645288582 /nfs/dbraw/zinc/28/85/82/645288582.db2.gz QHQPPPPIPXAHRJ-OLZOCXBDSA-N 2 1 248.374 1.209 20 0 BDADMP c1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000843388769 645289017 /nfs/dbraw/zinc/28/90/17/645289017.db2.gz FJRJJQUHMWEWQK-CHWSQXEVSA-N 2 1 231.343 1.480 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C(C)(C)CO ZINC000926751991 645403541 /nfs/dbraw/zinc/40/35/41/645403541.db2.gz BWDAUVRIPRBPCH-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929717938 646271601 /nfs/dbraw/zinc/27/16/01/646271601.db2.gz BCZANSIRNVVVQJ-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925478632 646293105 /nfs/dbraw/zinc/29/31/05/646293105.db2.gz VPEKHIXGOHNODF-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000929764169 646294873 /nfs/dbraw/zinc/29/48/73/646294873.db2.gz QMQNRHHKAKJDDS-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000929764169 646294879 /nfs/dbraw/zinc/29/48/79/646294879.db2.gz QMQNRHHKAKJDDS-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCO1 ZINC000925500144 646303974 /nfs/dbraw/zinc/30/39/74/646303974.db2.gz AENSRWSCKJXPBO-MNOVXSKESA-N 2 1 210.321 1.040 20 0 BDADMP CCN(CC)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925501479 646304184 /nfs/dbraw/zinc/30/41/84/646304184.db2.gz ICBRBRMEQIWSNA-CHWSQXEVSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2(C)C)C[N@H+]1C1CC1 ZINC000925542192 646324566 /nfs/dbraw/zinc/32/45/66/646324566.db2.gz NZMZVCXGVNYZIW-NTZNESFSSA-N 2 1 237.391 1.342 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000925553768 646331709 /nfs/dbraw/zinc/33/17/09/646331709.db2.gz VPANMUBZGHTIRK-NXEZZACHSA-N 2 1 214.378 1.612 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925579588 646344531 /nfs/dbraw/zinc/34/45/31/646344531.db2.gz FSMUOTIQZBVEOF-RYUDHWBXSA-N 2 1 226.364 1.412 20 0 BDADMP c1[nH]nc2c1CC[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925614239 646362632 /nfs/dbraw/zinc/36/26/32/646362632.db2.gz HIOGDLUFKQEXDU-WCQYABFASA-N 2 1 246.358 1.141 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000925616367 646365435 /nfs/dbraw/zinc/36/54/35/646365435.db2.gz RQZDGJAPXNACRS-CYDGBPFRSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925622753 646370428 /nfs/dbraw/zinc/37/04/28/646370428.db2.gz MQUHDJVSCTUAAW-MJBXVCDLSA-N 2 1 242.407 1.904 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CCOC2CC2)CC1 ZINC000929963018 646379244 /nfs/dbraw/zinc/37/92/44/646379244.db2.gz VXJMIRPXIFPTGJ-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000925641442 646385520 /nfs/dbraw/zinc/38/55/20/646385520.db2.gz YCQMYOUUCDOYKT-AHLTXXRQSA-N 2 1 238.375 1.674 20 0 BDADMP C1=CO[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925646762 646386960 /nfs/dbraw/zinc/38/69/60/646386960.db2.gz VZNARKSOFUUGJY-QWHCGFSZSA-N 2 1 236.359 1.943 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000925668981 646399498 /nfs/dbraw/zinc/39/94/98/646399498.db2.gz MULLOWKDHAARAC-FZMZJTMJSA-N 2 1 246.354 1.893 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925668603 646399933 /nfs/dbraw/zinc/39/99/33/646399933.db2.gz IOOJVYYFLRSZPW-CHWSQXEVSA-N 2 1 239.407 1.589 20 0 BDADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925671662 646400103 /nfs/dbraw/zinc/40/01/03/646400103.db2.gz SHTXOVCQNMTDIF-YVECIDJPSA-N 2 1 226.364 1.389 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925675534 646404416 /nfs/dbraw/zinc/40/44/16/646404416.db2.gz JBIXGCOQLQVSBC-ZJUUUORDSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OC ZINC000925677306 646405207 /nfs/dbraw/zinc/40/52/07/646405207.db2.gz SKTBQLKVYWLSGS-NEPJUHHUSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925680706 646409089 /nfs/dbraw/zinc/40/90/89/646409089.db2.gz KUWSYWWBYQPPIU-ZJUUUORDSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000925686980 646411003 /nfs/dbraw/zinc/41/10/03/646411003.db2.gz CZYHGRIWPOWXIY-MROQNXINSA-N 2 1 226.364 1.268 20 0 BDADMP Cc1cccnc1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925683425 646411915 /nfs/dbraw/zinc/41/19/15/646411915.db2.gz QFIRCQKKJPQJIY-ZDUSSCGKSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925699900 646423157 /nfs/dbraw/zinc/42/31/57/646423157.db2.gz LVLNDXBKFYQXQT-XUXIUFHCSA-N 3 1 239.407 1.482 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000925703019 646427102 /nfs/dbraw/zinc/42/71/02/646427102.db2.gz RXVZNUVSRMMEJG-FPMFFAJLSA-N 2 1 245.370 1.753 20 0 BDADMP C1=C(CCN[C@H]2CC[NH2+]C23CCCC3)CC[NH2+]C1 ZINC000925704317 646429140 /nfs/dbraw/zinc/42/91/40/646429140.db2.gz GCMHGSYVYNGEDF-AWEZNQCLSA-N 2 1 249.402 1.561 20 0 BDADMP Cc1ccncc1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925703792 646429842 /nfs/dbraw/zinc/42/98/42/646429842.db2.gz FKLCXCLCLCFUQF-CYBMUJFWSA-N 2 1 233.359 1.663 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925708346 646432588 /nfs/dbraw/zinc/43/25/88/646432588.db2.gz SJJITEYDXLQMAY-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP CC[C@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925711834 646435893 /nfs/dbraw/zinc/43/58/93/646435893.db2.gz SMQZYEGBYLUSAO-UONOGXRCSA-N 2 1 235.375 1.794 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@H]1CC[NH2+]C1(C)C ZINC000925713348 646438579 /nfs/dbraw/zinc/43/85/79/646438579.db2.gz XQELUTAIZOIEOM-MNOVXSKESA-N 2 1 213.369 1.234 20 0 BDADMP [NH3+]Cc1ccc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925713450 646438692 /nfs/dbraw/zinc/43/86/92/646438692.db2.gz SWDKDZMHMVIVQK-UONOGXRCSA-N 2 1 245.370 1.505 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925719972 646443703 /nfs/dbraw/zinc/44/37/03/646443703.db2.gz RHBLOZCJECZSRY-CHWSQXEVSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)[C@H](C)O1 ZINC000925726621 646451786 /nfs/dbraw/zinc/45/17/86/646451786.db2.gz VALKPEAEHQUMIS-VPOLOUISSA-N 2 1 212.337 1.282 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000925731161 646453300 /nfs/dbraw/zinc/45/33/00/646453300.db2.gz SGVPUYWRJWJQQB-XQHKEYJVSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cnccn1 ZINC000925778246 646475402 /nfs/dbraw/zinc/47/54/02/646475402.db2.gz JFLUDKGNQVUEES-HBNTYKKESA-N 2 1 220.320 1.397 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCCN1 ZINC000925798366 646487533 /nfs/dbraw/zinc/48/75/33/646487533.db2.gz WHQUBJLHBFAPHB-RQJABVFESA-N 2 1 239.407 1.352 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000925803590 646488423 /nfs/dbraw/zinc/48/84/23/646488423.db2.gz RSIAEFZHSAYOGB-AAVRWANBSA-N 2 1 239.407 1.482 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC000925814966 646492379 /nfs/dbraw/zinc/49/23/79/646492379.db2.gz ROOWCPPSTQPASC-KXNHARMFSA-N 2 1 235.331 1.211 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000925824428 646496542 /nfs/dbraw/zinc/49/65/42/646496542.db2.gz SVSXAOJLCHDBCB-HKLHZYFVSA-N 2 1 208.349 1.619 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829677 646500009 /nfs/dbraw/zinc/50/00/09/646500009.db2.gz FUAFYKBMCLVURI-PDWCTOEPSA-N 2 1 236.359 1.308 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925831014 646501196 /nfs/dbraw/zinc/50/11/96/646501196.db2.gz LOFRSAPALZGQAS-PDWCTOEPSA-N 2 1 236.359 1.165 20 0 BDADMP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[NH2+]C2)o1 ZINC000925838367 646504405 /nfs/dbraw/zinc/50/44/05/646504405.db2.gz LSDRLSRRWSBPDT-LBPRGKRZSA-N 2 1 245.326 1.630 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000925854304 646510862 /nfs/dbraw/zinc/51/08/62/646510862.db2.gz DJGCUUVPLODQAJ-SRVKXCTJSA-N 2 1 214.353 1.125 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925855808 646511360 /nfs/dbraw/zinc/51/13/60/646511360.db2.gz ICVKUIQIZDEOFG-WDEREUQCSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000925857532 646511626 /nfs/dbraw/zinc/51/16/26/646511626.db2.gz MLVATSKNOVMICF-JHJVBQTASA-N 2 1 228.380 1.658 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CCS1 ZINC000925861604 646515436 /nfs/dbraw/zinc/51/54/36/646515436.db2.gz QSCDFTDLSMLWAP-BBBLOLIVSA-N 2 1 200.351 1.222 20 0 BDADMP Cn1nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1C1CC1 ZINC000925873371 646523971 /nfs/dbraw/zinc/52/39/71/646523971.db2.gz JEEUELUXXNZHSL-NWDGAFQWSA-N 2 1 248.374 1.657 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC000925879461 646529437 /nfs/dbraw/zinc/52/94/37/646529437.db2.gz FEIGGCXNDIKSTG-UMSGYPCISA-N 2 1 225.380 1.363 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000925880107 646529947 /nfs/dbraw/zinc/52/99/47/646529947.db2.gz ODKNLYZSTGQSKN-QNWHQSFQSA-N 2 1 225.380 1.234 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000925891138 646533790 /nfs/dbraw/zinc/53/37/90/646533790.db2.gz SPDOZHSVVKJUND-KOLCDFICSA-N 2 1 237.347 1.633 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926173301 646588618 /nfs/dbraw/zinc/58/86/18/646588618.db2.gz JWELVFAVEOWGHB-CQSZACIVSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926173301 646588621 /nfs/dbraw/zinc/58/86/21/646588621.db2.gz JWELVFAVEOWGHB-CQSZACIVSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCSC1 ZINC000926323559 646615710 /nfs/dbraw/zinc/61/57/10/646615710.db2.gz JOUVYWDZSKWCSP-ACJTYDJDSA-N 2 1 240.416 1.669 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCn2ccnc21 ZINC000926501983 646664285 /nfs/dbraw/zinc/66/42/85/646664285.db2.gz GVGOKQDZZZFRGX-DAAZQVBGSA-N 2 1 246.358 1.258 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCn2ccnc21 ZINC000926501983 646664288 /nfs/dbraw/zinc/66/42/88/646664288.db2.gz GVGOKQDZZZFRGX-DAAZQVBGSA-N 2 1 246.358 1.258 20 0 BDADMP C[C@@H](CCO)CC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926499410 646664399 /nfs/dbraw/zinc/66/43/99/646664399.db2.gz NXZRHTGZQXGDJA-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H](CCO)CC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926499410 646664401 /nfs/dbraw/zinc/66/44/01/646664401.db2.gz NXZRHTGZQXGDJA-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000723709267 711535757 /nfs/dbraw/zinc/53/57/57/711535757.db2.gz NJDOMGFIGZDQEQ-MNOVXSKESA-N 2 1 214.378 1.410 20 0 BDADMP CC[N@H+](C[C@@H](C)OC)C[C@@H](O)C[NH+](C)C(C)C ZINC000383109737 711672430 /nfs/dbraw/zinc/67/24/30/711672430.db2.gz MUPBXMBBLCTWGN-OLZOCXBDSA-N 2 1 246.395 1.044 20 0 BDADMP CC[N@@H+](C[C@@H](C)OC)C[C@@H](O)C[NH+](C)C(C)C ZINC000383109737 711672432 /nfs/dbraw/zinc/67/24/32/711672432.db2.gz MUPBXMBBLCTWGN-OLZOCXBDSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C[C@@H](C)OC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000383109737 711672434 /nfs/dbraw/zinc/67/24/34/711672434.db2.gz MUPBXMBBLCTWGN-OLZOCXBDSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C[C@@H](C)OC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383109737 711672435 /nfs/dbraw/zinc/67/24/35/711672435.db2.gz MUPBXMBBLCTWGN-OLZOCXBDSA-N 2 1 246.395 1.044 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925879801 711761975 /nfs/dbraw/zinc/76/19/75/711761975.db2.gz CKWCUEQGZDHIJC-LPWJVIDDSA-N 2 1 208.349 1.907 20 0 BDADMP CC[C@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736948 711832752 /nfs/dbraw/zinc/83/27/52/711832752.db2.gz HUPBZFSDFNDFLZ-WDEREUQCSA-N 2 1 202.342 1.063 20 0 BDADMP COC[C@@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C(C)C ZINC000721917854 711919448 /nfs/dbraw/zinc/91/94/48/711919448.db2.gz JSQKVZQSVLQSHD-HZSPNIEDSA-N 2 1 240.391 1.446 20 0 BDADMP C[C@@H]1SCC[N@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC000132527499 711965377 /nfs/dbraw/zinc/96/53/77/711965377.db2.gz MODYQEMEZOBSSN-QWRGUYRKSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1SCC[N@@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC000132527499 711965378 /nfs/dbraw/zinc/96/53/78/711965378.db2.gz MODYQEMEZOBSSN-QWRGUYRKSA-N 2 1 228.405 1.954 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2OCCCO2)CC1(C)C ZINC000922281674 711966175 /nfs/dbraw/zinc/96/61/75/711966175.db2.gz XPDMBRZLKVLZQK-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP CC(C)c1cnc(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000700792980 712005158 /nfs/dbraw/zinc/00/51/58/712005158.db2.gz RUERNKLRMWWQAE-UHFFFAOYSA-N 2 1 237.347 1.969 20 0 BDADMP C[C@@H](CF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000702601576 712056137 /nfs/dbraw/zinc/05/61/37/712056137.db2.gz BXMNMIAOJYUXFM-OFLUOSHYSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H](CF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000702601576 712056139 /nfs/dbraw/zinc/05/61/39/712056139.db2.gz BXMNMIAOJYUXFM-OFLUOSHYSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)CC[N@@H+]1C ZINC000703018633 712064921 /nfs/dbraw/zinc/06/49/21/712064921.db2.gz YIBSFZMXQKALDG-NELGMTEASA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)CC[N@H+]1C ZINC000703018633 712064923 /nfs/dbraw/zinc/06/49/23/712064923.db2.gz YIBSFZMXQKALDG-NELGMTEASA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703805561 712089299 /nfs/dbraw/zinc/08/92/99/712089299.db2.gz KVCZRISKPQVIQY-ODWCKFRGSA-N 2 1 208.349 1.859 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000703844842 712090655 /nfs/dbraw/zinc/09/06/55/712090655.db2.gz DCRXZPULRQKHLJ-VOBJUBJWSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708321759 712186373 /nfs/dbraw/zinc/18/63/73/712186373.db2.gz ACGBIZUZPUCNGT-YNEHKIRRSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000709414401 712221407 /nfs/dbraw/zinc/22/14/07/712221407.db2.gz JHVCLUMBCUTJLR-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@H+](C[C@H](O)CC1CCCC1)CC(C)(C)[NH3+] ZINC000709320382 712219720 /nfs/dbraw/zinc/21/97/20/712219720.db2.gz OYCSABSEBDYMHO-GFCCVEGCSA-N 2 1 228.380 1.597 20 0 BDADMP C[N@@H+](C[C@H](O)CC1CCCC1)CC(C)(C)[NH3+] ZINC000709320382 712219721 /nfs/dbraw/zinc/21/97/21/712219721.db2.gz OYCSABSEBDYMHO-GFCCVEGCSA-N 2 1 228.380 1.597 20 0 BDADMP [NH3+][C@H](C[NH2+][C@@]12C[C@@H]1CCCC2)CC(F)F ZINC000710353064 712252541 /nfs/dbraw/zinc/25/25/41/712252541.db2.gz JVNNHZJYMFAKQE-QXEWZRGKSA-N 2 1 218.291 1.891 20 0 BDADMP COC1(OC)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000710985685 712271826 /nfs/dbraw/zinc/27/18/26/712271826.db2.gz CHCFYKRRFXOXIP-NSHDSACASA-N 2 1 244.379 1.315 20 0 BDADMP C[N@@H+](C[C@@H](O)CN1CCC[C@H](CF)C1)C1CC1 ZINC000711453669 712303880 /nfs/dbraw/zinc/30/38/80/712303880.db2.gz UNKITXNBNQYXAM-DGCLKSJQSA-N 2 1 244.354 1.123 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](CF)C1)C1CC1 ZINC000711453669 712303881 /nfs/dbraw/zinc/30/38/81/712303881.db2.gz UNKITXNBNQYXAM-DGCLKSJQSA-N 2 1 244.354 1.123 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](CF)C1)C1CC1 ZINC000711453669 712303882 /nfs/dbraw/zinc/30/38/82/712303882.db2.gz UNKITXNBNQYXAM-DGCLKSJQSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](CF)C1)C1CC1 ZINC000711453669 712303883 /nfs/dbraw/zinc/30/38/83/712303883.db2.gz UNKITXNBNQYXAM-DGCLKSJQSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](CF)C1)C1CC1 ZINC000711453669 712303885 /nfs/dbraw/zinc/30/38/85/712303885.db2.gz UNKITXNBNQYXAM-DGCLKSJQSA-N 2 1 244.354 1.123 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711783848 712329707 /nfs/dbraw/zinc/32/97/07/712329707.db2.gz BOZDMWNANXTNAS-UTUOFQBUSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@H+]1CCN(C[C@@]2(C)CC[NH2+]C2)CCC1(C)C ZINC000712609429 712437456 /nfs/dbraw/zinc/43/74/56/712437456.db2.gz OEFRSCLNXGVLPQ-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713585669 712466054 /nfs/dbraw/zinc/46/60/54/712466054.db2.gz KSMLQNWNSIQRDJ-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000713730608 712470598 /nfs/dbraw/zinc/47/05/98/712470598.db2.gz DBGIYVSFHUWHAJ-ITDFMYJTSA-N 2 1 206.333 1.804 20 0 BDADMP CC1(C)CCC[C@H](C[N@@H+]2CCC[NH2+]CC2)O1 ZINC000714369887 712484366 /nfs/dbraw/zinc/48/43/66/712484366.db2.gz XTXDYZDNLIAWNM-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP CC1(C)CCC[C@H](C[N@H+]2CCC[NH2+]CC2)O1 ZINC000714369887 712484367 /nfs/dbraw/zinc/48/43/67/712484367.db2.gz XTXDYZDNLIAWNM-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511585 712524577 /nfs/dbraw/zinc/52/45/77/712524577.db2.gz SLRJWRRBVSBLLX-CHWSQXEVSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715560369 712528079 /nfs/dbraw/zinc/52/80/79/712528079.db2.gz BLKSOUDDHNYKOP-ABXWRUBCSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](C)CC2)CC[NH2+]1 ZINC000719777930 712824650 /nfs/dbraw/zinc/82/46/50/712824650.db2.gz JLMSCVWTCPEXBS-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CC[N@H+](CC[C@@H]1CCCO1)C(C)C ZINC000720777003 712865148 /nfs/dbraw/zinc/86/51/48/712865148.db2.gz YGPAYQRHPXLHMG-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP C[NH2+]CC[N@@H+](CC[C@@H]1CCCO1)C(C)C ZINC000720777003 712865151 /nfs/dbraw/zinc/86/51/51/712865151.db2.gz YGPAYQRHPXLHMG-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000381398981 710631646 /nfs/dbraw/zinc/63/16/46/710631646.db2.gz AXONPQBPSJBEQI-TUUUFIMRSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000381431301 710636161 /nfs/dbraw/zinc/63/61/61/710636161.db2.gz BPEDKULMRUURPF-CHWSQXEVSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(OC)C2)C1 ZINC000381483786 710644930 /nfs/dbraw/zinc/64/49/30/710644930.db2.gz UJTQLTHWHKYNEU-HIFPTAJRSA-N 2 1 226.364 1.485 20 0 BDADMP CCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000381534991 710652983 /nfs/dbraw/zinc/65/29/83/710652983.db2.gz GLIUSNWWGOXYPE-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000381534991 710652989 /nfs/dbraw/zinc/65/29/89/710652989.db2.gz GLIUSNWWGOXYPE-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000381534991 710652990 /nfs/dbraw/zinc/65/29/90/710652990.db2.gz GLIUSNWWGOXYPE-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP C1=CC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000381570711 710656441 /nfs/dbraw/zinc/65/64/41/710656441.db2.gz WZMXWHBCAGVIPG-OKILXGFUSA-N 2 1 220.360 1.884 20 0 BDADMP COC[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C(C)C ZINC000721910812 710690581 /nfs/dbraw/zinc/69/05/81/710690581.db2.gz FOVOIPWDMAGATE-MELADBBJSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C(C)C ZINC000721910812 710690585 /nfs/dbraw/zinc/69/05/85/710690585.db2.gz FOVOIPWDMAGATE-MELADBBJSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC000721767205 710685106 /nfs/dbraw/zinc/68/51/06/710685106.db2.gz FKGQIYREGLFNSS-IHRRRGAJSA-N 2 1 242.407 1.822 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000380458761 712900893 /nfs/dbraw/zinc/90/08/93/712900893.db2.gz VIXXQCBMEWVBQI-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000380458761 712900894 /nfs/dbraw/zinc/90/08/94/712900894.db2.gz VIXXQCBMEWVBQI-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380466987 712901004 /nfs/dbraw/zinc/90/10/04/712901004.db2.gz ZTFLLUBMKDEMPX-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000380466987 712901005 /nfs/dbraw/zinc/90/10/05/712901005.db2.gz ZTFLLUBMKDEMPX-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380462056 712901095 /nfs/dbraw/zinc/90/10/95/712901095.db2.gz JMCQHECZJZRISC-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380462056 712901096 /nfs/dbraw/zinc/90/10/96/712901096.db2.gz JMCQHECZJZRISC-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc2c(c1)COC2 ZINC000382087368 710775121 /nfs/dbraw/zinc/77/51/21/710775121.db2.gz VWPCRRIXKSXVSH-UHFFFAOYSA-N 2 1 220.316 1.497 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000396542600 710906767 /nfs/dbraw/zinc/90/67/67/710906767.db2.gz BCAVFQCBIABTGR-JSGCOSHPSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000396577472 710907333 /nfs/dbraw/zinc/90/73/33/710907333.db2.gz CZYHGRIWPOWXIY-RNJOBUHISA-N 2 1 226.364 1.268 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]2C1 ZINC000383512403 710982775 /nfs/dbraw/zinc/98/27/75/710982775.db2.gz GZGMCNSDTDIDBU-FRRDWIJNSA-N 2 1 240.391 1.277 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C(C)(C)C)C[C@@H]2C1 ZINC000383512403 710982779 /nfs/dbraw/zinc/98/27/79/710982779.db2.gz GZGMCNSDTDIDBU-FRRDWIJNSA-N 2 1 240.391 1.277 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@@H]2C1 ZINC000383512403 710982782 /nfs/dbraw/zinc/98/27/82/710982782.db2.gz GZGMCNSDTDIDBU-FRRDWIJNSA-N 2 1 240.391 1.277 20 0 BDADMP CC[NH+]1CCC([NH2+]C/C=C/Cl)CC1 ZINC000387394929 711042495 /nfs/dbraw/zinc/04/24/95/711042495.db2.gz JVAWHEOJTGLPHR-ZZXKWVIFSA-N 2 1 202.729 1.813 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)C1 ZINC000389239187 711074475 /nfs/dbraw/zinc/07/44/75/711074475.db2.gz XMCPFFMRQXNANY-HLTSFMKQSA-N 2 1 206.280 1.747 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCO)C[C@@H]2C1 ZINC000390288181 711111302 /nfs/dbraw/zinc/11/13/02/711111302.db2.gz XRVJKEFUONNUGZ-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCO)C[C@@H]2C1 ZINC000390288181 711111304 /nfs/dbraw/zinc/11/13/04/711111304.db2.gz XRVJKEFUONNUGZ-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCO)C[C@@H]2C1 ZINC000390288181 711111307 /nfs/dbraw/zinc/11/13/07/711111307.db2.gz XRVJKEFUONNUGZ-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)o1 ZINC000390464755 711119516 /nfs/dbraw/zinc/11/95/16/711119516.db2.gz HKEXHDLATGARSL-BETUJISGSA-N 2 1 220.316 1.548 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)o1 ZINC000390464755 711119519 /nfs/dbraw/zinc/11/95/19/711119519.db2.gz HKEXHDLATGARSL-BETUJISGSA-N 2 1 220.316 1.548 20 0 BDADMP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000390476385 711120521 /nfs/dbraw/zinc/12/05/21/711120521.db2.gz JHDSOYYRRYTVIO-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000390476385 711120523 /nfs/dbraw/zinc/12/05/23/711120523.db2.gz JHDSOYYRRYTVIO-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396612694 711360824 /nfs/dbraw/zinc/36/08/24/711360824.db2.gz FJBHWBQWPYKYOA-VXGBXAGGSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000396618002 711361451 /nfs/dbraw/zinc/36/14/51/711361451.db2.gz UCGHHBLZSUVKAZ-WCQYABFASA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000396540758 711353691 /nfs/dbraw/zinc/35/36/91/711353691.db2.gz AMCIXYHXKUAQAP-JQWIXIFHSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000396585841 711357975 /nfs/dbraw/zinc/35/79/75/711357975.db2.gz RDRJKATWYIVVAL-CHWSQXEVSA-N 2 1 236.363 1.393 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396594432 711359796 /nfs/dbraw/zinc/35/97/96/711359796.db2.gz DSGDQLDOXJCSGB-QJPTWQEYSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000396723139 711369536 /nfs/dbraw/zinc/36/95/36/711369536.db2.gz USIKJPICBOYDNT-SCZZXKLOSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOC(F)(F)F ZINC000398196371 711403989 /nfs/dbraw/zinc/40/39/89/711403989.db2.gz VGOXNCSSAGCJQR-IUCAKERBSA-N 2 1 240.269 1.725 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOC(F)(F)F ZINC000398196371 711403993 /nfs/dbraw/zinc/40/39/93/711403993.db2.gz VGOXNCSSAGCJQR-IUCAKERBSA-N 2 1 240.269 1.725 20 0 BDADMP C[N@@H+](C[C@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394330026 711190169 /nfs/dbraw/zinc/19/01/69/711190169.db2.gz OHRQYFYZINBXBU-PIGZVRMJSA-N 2 1 238.375 1.314 20 0 BDADMP C[NH+](C[C@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394330026 711190170 /nfs/dbraw/zinc/19/01/70/711190170.db2.gz OHRQYFYZINBXBU-PIGZVRMJSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000396613407 711362035 /nfs/dbraw/zinc/36/20/35/711362035.db2.gz RQZDGJAPXNACRS-YWPUVAFDSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000396622163 711362149 /nfs/dbraw/zinc/36/21/49/711362149.db2.gz HVRIGPUELPICKZ-SMDDNHRTSA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000396642573 711363313 /nfs/dbraw/zinc/36/33/13/711363313.db2.gz JAGQPPXZBYXTQZ-AAEUAGOBSA-N 2 1 219.332 1.354 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000396673832 711364318 /nfs/dbraw/zinc/36/43/18/711364318.db2.gz RUFXYNQVYRTBOD-SDDRHHMPSA-N 2 1 228.405 1.860 20 0 BDADMP CC(C)OCCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396677136 711364391 /nfs/dbraw/zinc/36/43/91/711364391.db2.gz UECWTRKXNORIQB-QWHCGFSZSA-N 2 1 228.380 1.922 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396678043 711364588 /nfs/dbraw/zinc/36/45/88/711364588.db2.gz USEKGHZMXKFUCG-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)OC ZINC000396724012 711364626 /nfs/dbraw/zinc/36/46/26/711364626.db2.gz VBIYEYQZLVQXMJ-RVMXOQNASA-N 2 1 228.380 1.778 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000396677563 711364997 /nfs/dbraw/zinc/36/49/97/711364997.db2.gz UIESNTGEWLZANM-VXGBXAGGSA-N 2 1 228.380 1.515 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(C)CO ZINC000396699226 711365007 /nfs/dbraw/zinc/36/50/07/711365007.db2.gz KNZPIGFDCLPZOV-GHMZBOCLSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000396698883 711366607 /nfs/dbraw/zinc/36/66/07/711366607.db2.gz MRPYEBXFHMTUOQ-MNOVXSKESA-N 2 1 214.353 1.125 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396699810 711367509 /nfs/dbraw/zinc/36/75/09/711367509.db2.gz MYMYYPMQVQESRX-SRVKXCTJSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000397708733 711389303 /nfs/dbraw/zinc/38/93/03/711389303.db2.gz OCCYSJWOHKNPJN-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP c1coc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000383190466 711460254 /nfs/dbraw/zinc/46/02/54/711460254.db2.gz RUIAAECMHRVNMX-KYYPQDQFSA-N 2 1 232.327 1.408 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723571975 711518569 /nfs/dbraw/zinc/51/85/69/711518569.db2.gz DLLXNIISXKLGBZ-OCCSQVGLSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723571975 711518573 /nfs/dbraw/zinc/51/85/73/711518573.db2.gz DLLXNIISXKLGBZ-OCCSQVGLSA-N 2 1 238.375 1.365 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)o1 ZINC000723646561 711530233 /nfs/dbraw/zinc/53/02/33/711530233.db2.gz JNBJBRKTHZRPDV-STQMWFEESA-N 2 1 249.358 1.865 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)o1 ZINC000723646561 711530236 /nfs/dbraw/zinc/53/02/36/711530236.db2.gz JNBJBRKTHZRPDV-STQMWFEESA-N 2 1 249.358 1.865 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000723691535 711534219 /nfs/dbraw/zinc/53/42/19/711534219.db2.gz PPNUFGQGWZQSGN-VIFPVBQESA-N 2 1 211.334 1.314 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723670526 711533264 /nfs/dbraw/zinc/53/32/64/711533264.db2.gz UJUCJDDZHNRKSD-NSHDSACASA-N 2 1 236.363 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H]1CC[NH3+] ZINC000723884642 711543297 /nfs/dbraw/zinc/54/32/97/711543297.db2.gz UQPOVEIDNYLSHR-DGCLKSJQSA-N 2 1 219.332 1.498 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccnc2)C[C@H]1CC[NH3+] ZINC000723908847 711544876 /nfs/dbraw/zinc/54/48/76/711544876.db2.gz KWJDRBICNZONTN-TZMCWYRMSA-N 2 1 233.359 1.541 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC2(CCCC2)C1 ZINC000382378208 711559556 /nfs/dbraw/zinc/55/95/56/711559556.db2.gz DRMRXMBMCUTGLL-UHFFFAOYSA-N 2 1 212.337 1.228 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000724155363 711565384 /nfs/dbraw/zinc/56/53/84/711565384.db2.gz LRQUREOSVXRWOZ-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH]c(CN2CC[N@@H+]3CCCC[C@H]3C2)c(C)[nH+]1 ZINC000724786358 711614479 /nfs/dbraw/zinc/61/44/79/711614479.db2.gz PKKOYTZNUYLAAY-ZDUSSCGKSA-N 2 1 248.374 1.697 20 0 BDADMP Cc1[nH]c(CN2CC[N@H+]3CCCC[C@H]3C2)c(C)[nH+]1 ZINC000724786358 711614482 /nfs/dbraw/zinc/61/44/82/711614482.db2.gz PKKOYTZNUYLAAY-ZDUSSCGKSA-N 2 1 248.374 1.697 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(C)(C)CO ZINC000926573992 711653887 /nfs/dbraw/zinc/65/38/87/711653887.db2.gz RDXIELZMQUBJDN-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000925548889 711700265 /nfs/dbraw/zinc/70/02/65/711700265.db2.gz JIOHORKUSOPPPB-ONGXEEELSA-N 2 1 222.336 1.405 20 0 BDADMP Cc1cn(C)nc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931443107 711715106 /nfs/dbraw/zinc/71/51/06/711715106.db2.gz RNEPKGGYFGWKEI-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931443107 711715107 /nfs/dbraw/zinc/71/51/07/711715107.db2.gz RNEPKGGYFGWKEI-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cn(C)nc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931443107 711715109 /nfs/dbraw/zinc/71/51/09/711715109.db2.gz RNEPKGGYFGWKEI-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cn(C)nc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931443107 711715112 /nfs/dbraw/zinc/71/51/12/711715112.db2.gz RNEPKGGYFGWKEI-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCc2cccs2)CCCO1 ZINC000313374215 711721042 /nfs/dbraw/zinc/72/10/42/711721042.db2.gz KJUSTCDIJVGYTR-LLVKDONJSA-N 2 1 240.372 1.340 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093210638 711726680 /nfs/dbraw/zinc/72/66/80/711726680.db2.gz KVJMXZGTHHPYBR-TZMCWYRMSA-N 3 1 239.407 1.719 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](CCC[NH3+])C2 ZINC000725613743 711750265 /nfs/dbraw/zinc/75/02/65/711750265.db2.gz JNAFGGYPMGEYNL-ZJUUUORDSA-N 2 1 200.351 1.020 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](N3CCCC3)C2)C1 ZINC000227801433 711832918 /nfs/dbraw/zinc/83/29/18/711832918.db2.gz KUJJRLKOBZMIKU-BFHYXJOUSA-N 2 1 237.391 1.284 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721910915 711917597 /nfs/dbraw/zinc/91/75/97/711917597.db2.gz GPFONMATMDQTCT-AVGNSLFASA-N 2 1 228.380 1.574 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1C ZINC000156301004 711938277 /nfs/dbraw/zinc/93/82/77/711938277.db2.gz VQDYKPIHOHQMRG-VXGBXAGGSA-N 2 1 226.364 1.364 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]CC2OCCCO2)CC1(C)C ZINC000922281674 711966173 /nfs/dbraw/zinc/96/61/73/711966173.db2.gz XPDMBRZLKVLZQK-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405958 711992200 /nfs/dbraw/zinc/99/22/00/711992200.db2.gz UOCVIOKPQWZAEK-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000700814073 712006654 /nfs/dbraw/zinc/00/66/54/712006654.db2.gz UWBZOMALGKNSQL-GFCCVEGCSA-N 2 1 234.347 1.298 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000700814073 712006656 /nfs/dbraw/zinc/00/66/56/712006656.db2.gz UWBZOMALGKNSQL-GFCCVEGCSA-N 2 1 234.347 1.298 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000703549149 712078847 /nfs/dbraw/zinc/07/88/47/712078847.db2.gz GKOGSYPOYMOIRC-CMPLNLGQSA-N 2 1 222.357 1.789 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccs1)C2 ZINC000703549149 712078848 /nfs/dbraw/zinc/07/88/48/712078848.db2.gz GKOGSYPOYMOIRC-CMPLNLGQSA-N 2 1 222.357 1.789 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703550002 712078447 /nfs/dbraw/zinc/07/84/47/712078447.db2.gz OIKCNMRYWQBZLE-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703550002 712078449 /nfs/dbraw/zinc/07/84/49/712078449.db2.gz OIKCNMRYWQBZLE-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703546219 712078486 /nfs/dbraw/zinc/07/84/86/712078486.db2.gz BTOAEGSGGNRIAM-KWCYVHTRSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703546219 712078487 /nfs/dbraw/zinc/07/84/87/712078487.db2.gz BTOAEGSGGNRIAM-KWCYVHTRSA-N 2 1 231.343 1.684 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000703684539 712083700 /nfs/dbraw/zinc/08/37/00/712083700.db2.gz RIGCOHZOBLMLMD-JTQLQIEISA-N 2 1 239.750 1.906 20 0 BDADMP COC1CC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000703851417 712090363 /nfs/dbraw/zinc/09/03/63/712090363.db2.gz XJCHHXPTFYJVBA-MVKMKZAISA-N 2 1 224.348 1.095 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000703851417 712090366 /nfs/dbraw/zinc/09/03/66/712090366.db2.gz XJCHHXPTFYJVBA-MVKMKZAISA-N 2 1 224.348 1.095 20 0 BDADMP COC1CC(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000703900391 712093181 /nfs/dbraw/zinc/09/31/81/712093181.db2.gz WTDSOEFNAAIUDJ-ILDUYXDCSA-N 2 1 212.337 1.081 20 0 BDADMP COC1CC(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000703900391 712093183 /nfs/dbraw/zinc/09/31/83/712093183.db2.gz WTDSOEFNAAIUDJ-ILDUYXDCSA-N 2 1 212.337 1.081 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](CCCCCO)C[C@@]2(C)C1 ZINC000705664821 712135344 /nfs/dbraw/zinc/13/53/44/712135344.db2.gz CBAGGCXDSMLKFM-ZIAGYGMSSA-N 2 1 240.391 1.423 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000707286407 712168831 /nfs/dbraw/zinc/16/88/31/712168831.db2.gz XTKPTIFXKUQJNM-GRYCIOLGSA-N 2 1 228.405 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708081054 712181000 /nfs/dbraw/zinc/18/10/00/712181000.db2.gz ONDWDWDFQDKTFU-JHJVBQTASA-N 2 1 240.391 1.718 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708269468 712185051 /nfs/dbraw/zinc/18/50/51/712185051.db2.gz DBAQUMADIGJCOF-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000708341829 712188759 /nfs/dbraw/zinc/18/87/59/712188759.db2.gz WAGFTVKNUVNERR-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000708341829 712188761 /nfs/dbraw/zinc/18/87/61/712188761.db2.gz WAGFTVKNUVNERR-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000708346403 712190359 /nfs/dbraw/zinc/19/03/59/712190359.db2.gz FFMYFYWEPSDWMN-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)(C)[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000709018195 712206283 /nfs/dbraw/zinc/20/62/83/712206283.db2.gz HBHNFOLFEHZMNM-GRYCIOLGSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709130041 712209921 /nfs/dbraw/zinc/20/99/21/712209921.db2.gz JEZDSMPSNLUHOS-VXGBXAGGSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H](C[N@H+]1CCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709130041 712209923 /nfs/dbraw/zinc/20/99/23/712209923.db2.gz JEZDSMPSNLUHOS-VXGBXAGGSA-N 2 1 228.380 1.718 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO[C@@H]1CC1(F)F)C2 ZINC000709882703 712230606 /nfs/dbraw/zinc/23/06/06/712230606.db2.gz QTZYXAZUZNYJNO-ZRUFSTJUSA-N 2 1 246.301 1.222 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccn1 ZINC000709937350 712233529 /nfs/dbraw/zinc/23/35/29/712233529.db2.gz RYEANHDZANKKQB-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccn1 ZINC000709937350 712233531 /nfs/dbraw/zinc/23/35/31/712233531.db2.gz RYEANHDZANKKQB-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711046887 712276627 /nfs/dbraw/zinc/27/66/27/712276627.db2.gz IEDKJVAOWSXHES-DGAVXFQQSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711046887 712276628 /nfs/dbraw/zinc/27/66/28/712276628.db2.gz IEDKJVAOWSXHES-DGAVXFQQSA-N 2 1 238.375 1.221 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000711110256 712281366 /nfs/dbraw/zinc/28/13/66/712281366.db2.gz PCDKUMJLPNSCCS-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000711110256 712281367 /nfs/dbraw/zinc/28/13/67/712281367.db2.gz PCDKUMJLPNSCCS-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CC[C@@H]1[NH3+] ZINC000711473224 712303268 /nfs/dbraw/zinc/30/32/68/712303268.db2.gz XZQBUPVAVADESA-UPJWGTAASA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](Cc1nccn1C1CC1)C1CCC([NH3+])CC1 ZINC000711807787 712328598 /nfs/dbraw/zinc/32/85/98/712328598.db2.gz OHJVZNXZTUDJOY-UHFFFAOYSA-N 2 1 248.374 1.920 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000923480302 712334269 /nfs/dbraw/zinc/33/42/69/712334269.db2.gz WSIQIFXCWVKECN-JTQLQIEISA-N 2 1 246.445 1.853 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923480364 712334970 /nfs/dbraw/zinc/33/49/70/712334970.db2.gz XUXLUVCSXBZRMU-HIFRSBDPSA-N 2 1 248.370 1.699 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438261 712429693 /nfs/dbraw/zinc/42/96/93/712429693.db2.gz NURBPEZGRWNXPL-CHWSQXEVSA-N 2 1 238.375 1.759 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000712670717 712440481 /nfs/dbraw/zinc/44/04/81/712440481.db2.gz ARWBIQGOUYEVKC-NWDGAFQWSA-N 2 1 226.364 1.200 20 0 BDADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)O1 ZINC000714375664 712484408 /nfs/dbraw/zinc/48/44/08/712484408.db2.gz VWSGQDFUIHRVGP-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714376443 712485076 /nfs/dbraw/zinc/48/50/76/712485076.db2.gz ZQGWNKULACRXAQ-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714831020 712500888 /nfs/dbraw/zinc/50/08/88/712500888.db2.gz NAMANZCZXPUQLW-XEZLXBQYSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714831020 712500889 /nfs/dbraw/zinc/50/08/89/712500889.db2.gz NAMANZCZXPUQLW-XEZLXBQYSA-N 2 1 208.349 1.844 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715411968 712517784 /nfs/dbraw/zinc/51/77/84/712517784.db2.gz BICGWPMYHIIQQE-ZIAGYGMSSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@H](C2CC2)O1)C1CC([NH3+])C1 ZINC000715390819 712522325 /nfs/dbraw/zinc/52/23/25/712522325.db2.gz VFDXOADWKNEAAB-FIYWTHMPSA-N 2 1 224.348 1.366 20 0 BDADMP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000716545515 712567649 /nfs/dbraw/zinc/56/76/49/712567649.db2.gz LKHWORYDGPUXDS-XWUBHJNHSA-N 2 1 222.376 1.962 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000716803538 712575480 /nfs/dbraw/zinc/57/54/80/712575480.db2.gz VKHYKZLQQJTJFO-WUHRBBMRSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000716803538 712575481 /nfs/dbraw/zinc/57/54/81/712575481.db2.gz VKHYKZLQQJTJFO-WUHRBBMRSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000717613130 712662394 /nfs/dbraw/zinc/66/23/94/712662394.db2.gz HSJAMMAGIZQRIF-TUAOUCFPSA-N 2 1 226.364 1.532 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000719626566 712813847 /nfs/dbraw/zinc/81/38/47/712813847.db2.gz SYJBJGCSCNDBAG-DGCLKSJQSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000719667327 712818026 /nfs/dbraw/zinc/81/80/26/712818026.db2.gz KWWCWQHQMALNJF-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2ccns2)C1 ZINC000719831466 712823660 /nfs/dbraw/zinc/82/36/60/712823660.db2.gz KROVBEVKYCLBTR-NSHDSACASA-N 2 1 225.361 1.356 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000720184371 712828972 /nfs/dbraw/zinc/82/89/72/712828972.db2.gz KTLPDJWUZCJOTD-VXGBXAGGSA-N 2 1 246.395 1.091 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2c1cc[nH+]c(CO)c1 ZINC000720483279 712846847 /nfs/dbraw/zinc/84/68/47/712846847.db2.gz JHLRRHIIHXVWPG-KGLIPLIRSA-N 2 1 247.342 1.247 20 0 BDADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)c(C)nn1 ZINC000720567298 712852101 /nfs/dbraw/zinc/85/21/01/712852101.db2.gz ODPCKCXQIRNZMZ-UHFFFAOYSA-N 2 1 248.374 1.795 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)nnc2C)C1 ZINC000720582258 712854178 /nfs/dbraw/zinc/85/41/78/712854178.db2.gz KDSRZRZGIDUKDP-GFCCVEGCSA-N 2 1 234.347 1.135 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)nnc2C)C1 ZINC000720582258 712854180 /nfs/dbraw/zinc/85/41/80/712854180.db2.gz KDSRZRZGIDUKDP-GFCCVEGCSA-N 2 1 234.347 1.135 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c(C)nn1 ZINC000720581996 712854311 /nfs/dbraw/zinc/85/43/11/712854311.db2.gz IQRONOCCVUBYCU-MFKMUULPSA-N 2 1 234.347 1.405 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c(C)nn1 ZINC000720581996 712854313 /nfs/dbraw/zinc/85/43/13/712854313.db2.gz IQRONOCCVUBYCU-MFKMUULPSA-N 2 1 234.347 1.405 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720835785 712869297 /nfs/dbraw/zinc/86/92/97/712869297.db2.gz MXNKNBDNRTYEJK-XBFCOCLRSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1C(F)(F)F ZINC000720874697 712872755 /nfs/dbraw/zinc/87/27/55/712872755.db2.gz ZDAWAWPBVWRCHG-UWVGGRQHSA-N 2 1 236.281 1.856 20 0 BDADMP Cc1[nH+]ccn1CCCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720937886 712880645 /nfs/dbraw/zinc/88/06/45/712880645.db2.gz STTWOIPSFAOWDI-ZIAGYGMSSA-N 2 1 248.374 1.408 20 0 BDADMP CC(C)c1[nH+]ccn1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721027613 712887230 /nfs/dbraw/zinc/88/72/30/712887230.db2.gz GXMYXWVHJJTLPR-MNOVXSKESA-N 2 1 207.321 1.862 20 0 BDADMP COCOCCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001209028730 957284616 /nfs/dbraw/zinc/28/46/16/957284616.db2.gz DIRHCTOIWDUORG-UHFFFAOYSA-N 2 1 244.379 1.271 20 0 BDADMP CN(C)c1cccc(N2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC001165035311 721886684 /nfs/dbraw/zinc/88/66/84/721886684.db2.gz MASVBMVGOCUINV-LBPRGKRZSA-N 2 1 248.374 1.678 20 0 BDADMP CC[NH2+][C@H](CNC(=O)CC[N@@H+](C)CC)C(C)C ZINC001482562019 963752372 /nfs/dbraw/zinc/75/23/72/963752372.db2.gz HCVXOLHWDPBDEN-GFCCVEGCSA-N 2 1 243.395 1.079 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001168324658 964448380 /nfs/dbraw/zinc/44/83/80/964448380.db2.gz TUWIOGLSBNPZAH-TYUFSLCMSA-N 2 1 224.348 1.332 20 0 BDADMP CC[NH+](CC)CCO[C@H](C)C[NH+]1CCOCC1 ZINC001224928882 965103778 /nfs/dbraw/zinc/10/37/78/965103778.db2.gz XMCHWYVMCPIUMH-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP Cc1nc(N(C)C[C@@H]2CC[NH2+]C2)c(C)c(C)[nH+]1 ZINC001166958015 966487902 /nfs/dbraw/zinc/48/79/02/966487902.db2.gz PHCBAQDMSOQAEB-GFCCVEGCSA-N 2 1 234.347 1.448 20 0 BDADMP C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204599421 967097143 /nfs/dbraw/zinc/09/71/43/967097143.db2.gz YYNFQSOYSRSFII-QWRGUYRKSA-N 2 1 212.337 1.443 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204599421 967097157 /nfs/dbraw/zinc/09/71/57/967097157.db2.gz YYNFQSOYSRSFII-QWRGUYRKSA-N 2 1 212.337 1.443 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cnoc2)CC1 ZINC001205266951 967455042 /nfs/dbraw/zinc/45/50/42/967455042.db2.gz YTJOSYWXCDZADS-LLVKDONJSA-N 2 1 209.293 1.378 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cnoc2)CC1 ZINC001205266951 967455052 /nfs/dbraw/zinc/45/50/52/967455052.db2.gz YTJOSYWXCDZADS-LLVKDONJSA-N 2 1 209.293 1.378 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](CC2CCOCC2)CC1 ZINC001205536929 967675030 /nfs/dbraw/zinc/67/50/30/967675030.db2.gz CIVAFWJGCJYIIB-ZDUSSCGKSA-N 2 1 244.354 1.566 20 0 BDADMP C[C@H]1CC[N@@H+](CCCC[NH3+])CC[C@]1(C)O ZINC001205539374 967677471 /nfs/dbraw/zinc/67/74/71/967677471.db2.gz XSSBCAWHLGCZKQ-RYUDHWBXSA-N 2 1 214.353 1.208 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnsc2)CC[C@@H]1C[NH3+] ZINC001205638415 967737065 /nfs/dbraw/zinc/73/70/65/967737065.db2.gz NTLDISVTCZPNNA-ZYHUDNBSSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCC[C@@H]1C[NH3+] ZINC001205984994 967927881 /nfs/dbraw/zinc/92/78/81/967927881.db2.gz URFOHJMVQLZXGF-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccoc2)CC[C@@H]1F ZINC001206163659 968089937 /nfs/dbraw/zinc/08/99/37/968089937.db2.gz DPGBRUILWDOJGX-WDEREUQCSA-N 2 1 212.268 1.541 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccoc2)CC[C@@H]1F ZINC001206163659 968089944 /nfs/dbraw/zinc/08/99/44/968089944.db2.gz DPGBRUILWDOJGX-WDEREUQCSA-N 2 1 212.268 1.541 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](O)CC1 ZINC001207275247 968707135 /nfs/dbraw/zinc/70/71/35/968707135.db2.gz LGRRWGDMFSKLTD-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CC[C@H]1O ZINC001207276298 968709710 /nfs/dbraw/zinc/70/97/10/968709710.db2.gz VCHNPHOWKPYTID-NWDGAFQWSA-N 2 1 228.380 1.277 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@](C)(O)C1 ZINC001207279328 968711504 /nfs/dbraw/zinc/71/15/04/968711504.db2.gz KPLVWTPLDFOXGG-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C[C@@H]1O ZINC001207480142 968799893 /nfs/dbraw/zinc/79/98/93/968799893.db2.gz UVRHKNBSSJUJRS-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC3(COC3)C2)CC1 ZINC001207481409 968797454 /nfs/dbraw/zinc/79/74/54/968797454.db2.gz FURURESUPLSAJQ-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000829274241 968826510 /nfs/dbraw/zinc/82/65/10/968826510.db2.gz BKPGEYNJJVTINN-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)CC1(C)COC1 ZINC001207800822 968889457 /nfs/dbraw/zinc/88/94/57/968889457.db2.gz XGBIFCNKAPUIQT-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252798588 968980893 /nfs/dbraw/zinc/98/08/93/968980893.db2.gz CFFHJEMNIFGJEP-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](F)C2)CC1 ZINC001208107067 969001577 /nfs/dbraw/zinc/00/15/77/969001577.db2.gz NANWUQAJTAOVJM-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1C=CCCC1 ZINC001253211834 969112206 /nfs/dbraw/zinc/11/22/06/969112206.db2.gz KUUYYMHIONSIBB-QWHCGFSZSA-N 2 1 226.364 1.387 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](CO)C2)CCCC1 ZINC001208191194 969123329 /nfs/dbraw/zinc/12/33/29/969123329.db2.gz LAMFGZJIHPVUOQ-CYBMUJFWSA-N 2 1 240.391 1.423 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2CF)C1 ZINC001208612841 969147084 /nfs/dbraw/zinc/14/70/84/969147084.db2.gz FGTJUFYFAKPKSG-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2CF)C1 ZINC001208612841 969147092 /nfs/dbraw/zinc/14/70/92/969147092.db2.gz FGTJUFYFAKPKSG-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2CF)C1 ZINC001208612841 969147104 /nfs/dbraw/zinc/14/71/04/969147104.db2.gz FGTJUFYFAKPKSG-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2CF)C1 ZINC001208612841 969147109 /nfs/dbraw/zinc/14/71/09/969147109.db2.gz FGTJUFYFAKPKSG-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208605026 969154389 /nfs/dbraw/zinc/15/43/89/969154389.db2.gz WRUFQMIFOZCDPI-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208605026 969154396 /nfs/dbraw/zinc/15/43/96/969154396.db2.gz WRUFQMIFOZCDPI-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208605026 969154404 /nfs/dbraw/zinc/15/44/04/969154404.db2.gz WRUFQMIFOZCDPI-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CN(CCC[NH+](C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603306 969156596 /nfs/dbraw/zinc/15/65/96/969156596.db2.gz AWJSDLSZWLAYLU-CYBMUJFWSA-N 2 1 227.396 1.212 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001208607973 969160776 /nfs/dbraw/zinc/16/07/76/969160776.db2.gz DVTSPLTXXBCWRK-RWMBFGLXSA-N 2 1 222.376 1.916 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001208607973 969160787 /nfs/dbraw/zinc/16/07/87/969160787.db2.gz DVTSPLTXXBCWRK-RWMBFGLXSA-N 2 1 222.376 1.916 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001208607973 969160795 /nfs/dbraw/zinc/16/07/95/969160795.db2.gz DVTSPLTXXBCWRK-RWMBFGLXSA-N 2 1 222.376 1.916 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)C[C@@H]1F ZINC001208608134 969161571 /nfs/dbraw/zinc/16/15/71/969161571.db2.gz PUSCPQCAVIVNIG-UTUOFQBUSA-N 2 1 214.328 1.618 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)C[C@@H]1F ZINC001208608134 969161573 /nfs/dbraw/zinc/16/15/73/969161573.db2.gz PUSCPQCAVIVNIG-UTUOFQBUSA-N 2 1 214.328 1.618 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1F ZINC001208608134 969161576 /nfs/dbraw/zinc/16/15/76/969161576.db2.gz PUSCPQCAVIVNIG-UTUOFQBUSA-N 2 1 214.328 1.618 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1F ZINC001208608134 969161578 /nfs/dbraw/zinc/16/15/78/969161578.db2.gz PUSCPQCAVIVNIG-UTUOFQBUSA-N 2 1 214.328 1.618 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606886 969166277 /nfs/dbraw/zinc/16/62/77/969166277.db2.gz ISJKHNQUTYOZEV-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208606886 969166281 /nfs/dbraw/zinc/16/62/81/969166281.db2.gz ISJKHNQUTYOZEV-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208606886 969166287 /nfs/dbraw/zinc/16/62/87/969166287.db2.gz ISJKHNQUTYOZEV-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208613428 969172630 /nfs/dbraw/zinc/17/26/30/969172630.db2.gz UAEWKEOYSBLPLY-ZIAGYGMSSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208613428 969172634 /nfs/dbraw/zinc/17/26/34/969172634.db2.gz UAEWKEOYSBLPLY-ZIAGYGMSSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@H]1COCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208613428 969172639 /nfs/dbraw/zinc/17/26/39/969172639.db2.gz UAEWKEOYSBLPLY-ZIAGYGMSSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@H]1COCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208613428 969172642 /nfs/dbraw/zinc/17/26/42/969172642.db2.gz UAEWKEOYSBLPLY-ZIAGYGMSSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C)C1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208616565 969170437 /nfs/dbraw/zinc/17/04/37/969170437.db2.gz KFVSRPZORIOAKR-NWDGAFQWSA-N 2 1 226.364 1.295 20 0 BDADMP CC[N@H+](C)C1CC[NH+](C[C@H](C)C(=O)OC)CC1 ZINC001208726598 969211379 /nfs/dbraw/zinc/21/13/79/969211379.db2.gz PPASXODXVKXKAP-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@H](C)C(=O)OC)CC1 ZINC001208726598 969211385 /nfs/dbraw/zinc/21/13/85/969211385.db2.gz PPASXODXVKXKAP-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001253537597 969211629 /nfs/dbraw/zinc/21/16/29/969211629.db2.gz ZUDKURYGLQCOTH-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CCCCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001253537597 969211637 /nfs/dbraw/zinc/21/16/37/969211637.db2.gz ZUDKURYGLQCOTH-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CCCCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001253537597 969211645 /nfs/dbraw/zinc/21/16/45/969211645.db2.gz ZUDKURYGLQCOTH-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CCOC(C)(C)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209078911 969350676 /nfs/dbraw/zinc/35/06/76/969350676.db2.gz ORRBKSMLLCNECO-BETUJISGSA-N 2 1 240.391 1.685 20 0 BDADMP CCOC(C)(C)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001209078911 969350681 /nfs/dbraw/zinc/35/06/81/969350681.db2.gz ORRBKSMLLCNECO-BETUJISGSA-N 2 1 240.391 1.685 20 0 BDADMP CCOC(C)(C)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001209078911 969350682 /nfs/dbraw/zinc/35/06/82/969350682.db2.gz ORRBKSMLLCNECO-BETUJISGSA-N 2 1 240.391 1.685 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+]C[C@H](O)C(C)C ZINC001253778459 969398603 /nfs/dbraw/zinc/39/86/03/969398603.db2.gz PMDQTKBBWQOPLP-ZDUSSCGKSA-N 2 1 230.396 1.715 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001254515694 969689188 /nfs/dbraw/zinc/68/91/88/969689188.db2.gz AZOZPRRXHWTLDN-AVGNSLFASA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001254515694 969689194 /nfs/dbraw/zinc/68/91/94/969689194.db2.gz AZOZPRRXHWTLDN-AVGNSLFASA-N 2 1 244.354 1.266 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001254515694 969689205 /nfs/dbraw/zinc/68/92/05/969689205.db2.gz AZOZPRRXHWTLDN-AVGNSLFASA-N 2 1 244.354 1.266 20 0 BDADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254518560 969695624 /nfs/dbraw/zinc/69/56/24/969695624.db2.gz BZUOPDJAGVRUIT-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254518560 969695628 /nfs/dbraw/zinc/69/56/28/969695628.db2.gz BZUOPDJAGVRUIT-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254518560 969695631 /nfs/dbraw/zinc/69/56/31/969695631.db2.gz BZUOPDJAGVRUIT-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(COC3)C2)CC1 ZINC001254521873 969708565 /nfs/dbraw/zinc/70/85/65/969708565.db2.gz ZHJQLKWJUBMDLJ-LBPRGKRZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC3(COC3)C2)CC1 ZINC001254521873 969708571 /nfs/dbraw/zinc/70/85/71/969708571.db2.gz ZHJQLKWJUBMDLJ-LBPRGKRZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC3(COC3)C2)CC1 ZINC001254521873 969708577 /nfs/dbraw/zinc/70/85/77/969708577.db2.gz ZHJQLKWJUBMDLJ-LBPRGKRZSA-N 2 1 224.348 1.193 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@H](F)C2)CC1 ZINC001254522377 969705544 /nfs/dbraw/zinc/70/55/44/969705544.db2.gz FLBRXIRTRRTDRK-VXGBXAGGSA-N 2 1 214.328 1.905 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](F)C2)CC1 ZINC001254522377 969705545 /nfs/dbraw/zinc/70/55/45/969705545.db2.gz FLBRXIRTRRTDRK-VXGBXAGGSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](F)C2)CC1 ZINC001254522377 969705560 /nfs/dbraw/zinc/70/55/60/969705560.db2.gz FLBRXIRTRRTDRK-VXGBXAGGSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](F)C2)CC1 ZINC001254522377 969705566 /nfs/dbraw/zinc/70/55/66/969705566.db2.gz FLBRXIRTRRTDRK-VXGBXAGGSA-N 2 1 214.328 1.905 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(COC3)C2)CC1 ZINC001254521872 969712486 /nfs/dbraw/zinc/71/24/86/969712486.db2.gz ZHJQLKWJUBMDLJ-GFCCVEGCSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC3(COC3)C2)CC1 ZINC001254521872 969712493 /nfs/dbraw/zinc/71/24/93/969712493.db2.gz ZHJQLKWJUBMDLJ-GFCCVEGCSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC3(COC3)C2)CC1 ZINC001254521872 969712504 /nfs/dbraw/zinc/71/25/04/969712504.db2.gz ZHJQLKWJUBMDLJ-GFCCVEGCSA-N 2 1 224.348 1.193 20 0 BDADMP CC(=O)[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254532139 969732375 /nfs/dbraw/zinc/73/23/75/969732375.db2.gz QBXWHGFWKAMUGI-CHWSQXEVSA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254532139 969732380 /nfs/dbraw/zinc/73/23/80/969732380.db2.gz QBXWHGFWKAMUGI-CHWSQXEVSA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254532139 969732386 /nfs/dbraw/zinc/73/23/86/969732386.db2.gz QBXWHGFWKAMUGI-CHWSQXEVSA-N 2 1 224.348 1.382 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN([C@H]2CC[N@@H+](C)C2)C1 ZINC001255439035 970172002 /nfs/dbraw/zinc/17/20/02/970172002.db2.gz QCFHCBXYMUGWLN-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001170147740 970440518 /nfs/dbraw/zinc/44/05/18/970440518.db2.gz FFXNSMWFIRYZNB-NDBYEHHHSA-N 2 1 208.349 1.668 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C(COC)COC ZINC001255947734 970566648 /nfs/dbraw/zinc/56/66/48/970566648.db2.gz WMRXSYUPJUNHJD-LBPRGKRZSA-N 2 1 246.395 1.358 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC(=O)C1 ZINC001255945053 970574249 /nfs/dbraw/zinc/57/42/49/970574249.db2.gz JIHQSIWKTJILHO-JTQLQIEISA-N 2 1 212.337 1.428 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC001255955394 970585820 /nfs/dbraw/zinc/58/58/20/970585820.db2.gz SBXITTZWWQKOPB-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP CC[NH+](CC)CC[C@H](C)NCC[NH+]1CCC1 ZINC001255951571 970587843 /nfs/dbraw/zinc/58/78/43/970587843.db2.gz QLYZGWSKJPSTHA-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000400474681 970592132 /nfs/dbraw/zinc/59/21/32/970592132.db2.gz ZHRMWFBRBHFVQZ-NSHDSACASA-N 3 1 225.380 1.058 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400530573 970591540 /nfs/dbraw/zinc/59/15/40/970591540.db2.gz RPHYTTOCQHNENA-SRVKXCTJSA-N 2 1 214.353 1.124 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@H]1CO ZINC001255955912 970595575 /nfs/dbraw/zinc/59/55/75/970595575.db2.gz XQBCWCWUIFBMBY-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H]1CO ZINC001255958064 970598175 /nfs/dbraw/zinc/59/81/75/970598175.db2.gz YECSTJSNPVKOGO-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H]1COC ZINC001255968651 970600836 /nfs/dbraw/zinc/60/08/36/970600836.db2.gz DVHJKAMJHNVUCF-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H]1COC ZINC001255968651 970600846 /nfs/dbraw/zinc/60/08/46/970600846.db2.gz DVHJKAMJHNVUCF-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](O)C[C@H]1C ZINC001255963143 970602827 /nfs/dbraw/zinc/60/28/27/970602827.db2.gz CYWHUIOAVODXEB-MJBXVCDLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](C)[C@H](C)C1 ZINC001255964096 970603487 /nfs/dbraw/zinc/60/34/87/970603487.db2.gz OLDWTVVYIYFXGP-UONOGXRCSA-N 2 1 241.423 1.743 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001256208695 970710349 /nfs/dbraw/zinc/71/03/49/970710349.db2.gz MVDVLHBVTRHCLM-ZDUSSCGKSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001256208695 970710365 /nfs/dbraw/zinc/71/03/65/970710365.db2.gz MVDVLHBVTRHCLM-ZDUSSCGKSA-N 2 1 224.348 1.336 20 0 BDADMP CC[C@@H]1CC[C@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)C1 ZINC001173266528 975128804 /nfs/dbraw/zinc/12/88/04/975128804.db2.gz LYAVPAXODBMWBX-GRYCIOLGSA-N 2 1 242.363 1.435 20 0 BDADMP CCSC[C@@H](C)[N@H+](CC[NH3+])C(C)C ZINC001173291009 975261710 /nfs/dbraw/zinc/26/17/10/975261710.db2.gz HZYIXXJVRUNYIO-SNVBAGLBSA-N 2 1 204.383 1.797 20 0 BDADMP CCSC[C@@H](C)[N@@H+](CC[NH3+])C(C)C ZINC001173291009 975261719 /nfs/dbraw/zinc/26/17/19/975261719.db2.gz HZYIXXJVRUNYIO-SNVBAGLBSA-N 2 1 204.383 1.797 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC001173364352 975335587 /nfs/dbraw/zinc/33/55/87/975335587.db2.gz QUHYEEYNZCMWQC-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN([C@H]2CC[N@@H+](CC)C2)C1 ZINC001173372842 975355652 /nfs/dbraw/zinc/35/56/52/975355652.db2.gz RXXLQHCNPHYLLK-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP COC(=O)CCCC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001173448134 975390901 /nfs/dbraw/zinc/39/09/01/975390901.db2.gz JHLQNCIIESCARX-SNVBAGLBSA-N 2 1 228.336 1.189 20 0 BDADMP CC[N@H+](CCNc1nc(N)cc(C)[nH+]1)C(C)C ZINC001336698026 977861995 /nfs/dbraw/zinc/86/19/95/977861995.db2.gz OXETYQABEGIVJZ-UHFFFAOYSA-N 2 1 237.351 1.509 20 0 BDADMP CC[N@@H+](CCNc1nc(N)cc(C)[nH+]1)C(C)C ZINC001336698026 977861997 /nfs/dbraw/zinc/86/19/97/977861997.db2.gz OXETYQABEGIVJZ-UHFFFAOYSA-N 2 1 237.351 1.509 20 0 BDADMP CSC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001336838387 977996133 /nfs/dbraw/zinc/99/61/33/977996133.db2.gz CSNWBLCIGWGFBL-GMTAPVOTSA-N 2 1 246.420 1.029 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001337804654 978503817 /nfs/dbraw/zinc/50/38/17/978503817.db2.gz DUMCAFIEBWQIAM-LBPRGKRZSA-N 2 1 236.746 1.888 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000069863049 978766693 /nfs/dbraw/zinc/76/66/93/978766693.db2.gz FTXWAEUYJYVBPD-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422808 979042004 /nfs/dbraw/zinc/04/20/04/979042004.db2.gz DRDVCCMZTYEAFB-UONOGXRCSA-N 3 1 239.407 1.437 20 0 BDADMP CC(C)[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001235471849 979052309 /nfs/dbraw/zinc/05/23/09/979052309.db2.gz VDNCNRXDYYOXFO-KBPBESRZSA-N 2 1 239.407 1.306 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@H+](CC1CCSCC1)C2 ZINC001236013434 979297339 /nfs/dbraw/zinc/29/73/39/979297339.db2.gz AVTCYELDUXMOFY-GHMZBOCLSA-N 2 1 212.362 1.163 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](CC1CCSCC1)C2 ZINC001236013434 979297356 /nfs/dbraw/zinc/29/73/56/979297356.db2.gz AVTCYELDUXMOFY-GHMZBOCLSA-N 2 1 212.362 1.163 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCCC3(CCC3)C2)O1 ZINC001236322222 979537933 /nfs/dbraw/zinc/53/79/33/979537933.db2.gz KMQQOMZHFZHMHS-LBPRGKRZSA-N 2 1 238.375 1.977 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCCC3(CCC3)C2)O1 ZINC001236322222 979537943 /nfs/dbraw/zinc/53/79/43/979537943.db2.gz KMQQOMZHFZHMHS-LBPRGKRZSA-N 2 1 238.375 1.977 20 0 BDADMP CC(C)C[N@@H+](CCC1C[NH2+]C1)[C@@H]1CCCNC1 ZINC001236473460 979604382 /nfs/dbraw/zinc/60/43/82/979604382.db2.gz IZNQTTIGYHXPOK-CQSZACIVSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)CN(CCC1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001236473460 979604394 /nfs/dbraw/zinc/60/43/94/979604394.db2.gz IZNQTTIGYHXPOK-CQSZACIVSA-N 2 1 239.407 1.306 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001349608278 981594399 /nfs/dbraw/zinc/59/43/99/981594399.db2.gz KAOATICKNNXSHH-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2COC(C)(C)OC2)C[C@@H]1[NH3+] ZINC001205863473 982918561 /nfs/dbraw/zinc/91/85/61/982918561.db2.gz VYARGLPKYOHFHF-PWSUYJOCSA-N 2 1 242.363 1.055 20 0 BDADMP CC1(C[N@@H+]2CCCC[C@@H](N)C2)CC[NH2+]CC1 ZINC001205922934 983321319 /nfs/dbraw/zinc/32/13/19/983321319.db2.gz DUGWTRPYMUDMIJ-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP CC1(C[N@H+]2CCCC[C@@H](N)C2)CC[NH2+]CC1 ZINC001205922934 983321321 /nfs/dbraw/zinc/32/13/21/983321321.db2.gz DUGWTRPYMUDMIJ-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001222573718 972578041 /nfs/dbraw/zinc/57/80/41/972578041.db2.gz CCXONMFRSYCGCA-LBPRGKRZSA-N 2 1 212.337 1.370 20 0 BDADMP COC(=O)CC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246548328 972680786 /nfs/dbraw/zinc/68/07/86/972680786.db2.gz FXUDATRRRYWLJT-WCQYABFASA-N 2 1 242.363 1.531 20 0 BDADMP CN1CCC[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246553496 972750294 /nfs/dbraw/zinc/75/02/94/972750294.db2.gz YPFYJCYWAIVVFF-CHWSQXEVSA-N 2 1 243.370 1.234 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246559939 972786153 /nfs/dbraw/zinc/78/61/53/972786153.db2.gz OGXYXCCIYOEZOH-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP C[C@@H]1C[C@@H](N2CCC(F)(F)[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246581468 972936957 /nfs/dbraw/zinc/93/69/57/972936957.db2.gz KTURAQMVQDHJFV-VLEAKVRGSA-N 2 1 247.333 1.184 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246588516 972988770 /nfs/dbraw/zinc/98/87/70/972988770.db2.gz QJLNWZGGLYYZQX-YNEHKIRRSA-N 2 1 243.370 1.232 20 0 BDADMP CCOC(=O)[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246814999 973115105 /nfs/dbraw/zinc/11/51/05/973115105.db2.gz BIRZVLPKYKSCNS-UTUOFQBUSA-N 2 1 240.347 1.012 20 0 BDADMP CCCC(CCC)[N@H+]1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001246929997 973569674 /nfs/dbraw/zinc/56/96/74/973569674.db2.gz JGNVGFDZZJTLCW-NWDGAFQWSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@@H](Cc1ccccn1)n1cc[nH+]c1CCC[NH3+] ZINC001256410043 970815027 /nfs/dbraw/zinc/81/50/27/970815027.db2.gz RFSBSHQLYBBUEB-LBPRGKRZSA-N 2 1 244.342 1.973 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053140 970815414 /nfs/dbraw/zinc/81/54/14/970815414.db2.gz KQHYYYZJVBNCKS-ZYHUDNBSSA-N 2 1 242.363 1.387 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053140 970815419 /nfs/dbraw/zinc/81/54/19/970815419.db2.gz KQHYYYZJVBNCKS-ZYHUDNBSSA-N 2 1 242.363 1.387 20 0 BDADMP CO[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256621027 970886717 /nfs/dbraw/zinc/88/67/17/970886717.db2.gz IPKBERFUHPEWEF-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256621027 970886722 /nfs/dbraw/zinc/88/67/22/970886722.db2.gz IPKBERFUHPEWEF-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256621027 970886726 /nfs/dbraw/zinc/88/67/26/970886726.db2.gz IPKBERFUHPEWEF-QNMSZWNNSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628314 970893587 /nfs/dbraw/zinc/89/35/87/970893587.db2.gz AJBVOQUIMZROFI-BEUHCMRWSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628314 970893592 /nfs/dbraw/zinc/89/35/92/970893592.db2.gz AJBVOQUIMZROFI-BEUHCMRWSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1C[C@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628314 970893593 /nfs/dbraw/zinc/89/35/93/970893593.db2.gz AJBVOQUIMZROFI-BEUHCMRWSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1C[C@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628314 970893598 /nfs/dbraw/zinc/89/35/98/970893598.db2.gz AJBVOQUIMZROFI-BEUHCMRWSA-N 2 1 238.375 1.457 20 0 BDADMP CC(C)CC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403245905 970897637 /nfs/dbraw/zinc/89/76/37/970897637.db2.gz RBSYLONCHVOMSD-JTQLQIEISA-N 2 1 220.307 1.948 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCC1(F)F ZINC000403280770 970900792 /nfs/dbraw/zinc/90/07/92/970900792.db2.gz NWCCWJPDTIPMFP-MNOVXSKESA-N 2 1 248.317 1.471 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC1(F)F ZINC000403280770 970900796 /nfs/dbraw/zinc/90/07/96/970900796.db2.gz NWCCWJPDTIPMFP-MNOVXSKESA-N 2 1 248.317 1.471 20 0 BDADMP CC[N@@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256688796 970920034 /nfs/dbraw/zinc/92/00/34/970920034.db2.gz KQMQDRKVPFOAFF-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000403442252 970945560 /nfs/dbraw/zinc/94/55/60/970945560.db2.gz CZTJHAFQANYKTE-POQQGIQPSA-N 2 1 220.360 1.716 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898957 971014110 /nfs/dbraw/zinc/01/41/10/971014110.db2.gz BDSJBRVLIFKIPZ-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898957 971014128 /nfs/dbraw/zinc/01/41/28/971014128.db2.gz BDSJBRVLIFKIPZ-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](O)CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907736 971017564 /nfs/dbraw/zinc/01/75/64/971017564.db2.gz HOHZDSBXEDTZGO-STQMWFEESA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](O)CC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907736 971017573 /nfs/dbraw/zinc/01/75/73/971017573.db2.gz HOHZDSBXEDTZGO-STQMWFEESA-N 2 1 240.391 1.754 20 0 BDADMP CN(OCC[NH3+])[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256902462 971023183 /nfs/dbraw/zinc/02/31/83/971023183.db2.gz VDNHYYWEJQJHOM-CYBMUJFWSA-N 2 1 241.379 1.216 20 0 BDADMP C[N@@H+]1CCCC[C@H]1COC1C[NH+](C(C)(C)C)C1 ZINC001224701544 973867349 /nfs/dbraw/zinc/86/73/49/973867349.db2.gz HLGXERTWPSNSOZ-LBPRGKRZSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@H+]1CCCC[C@H]1COC1C[NH+](C(C)(C)C)C1 ZINC001224701544 973867354 /nfs/dbraw/zinc/86/73/54/973867354.db2.gz HLGXERTWPSNSOZ-LBPRGKRZSA-N 2 1 240.391 1.970 20 0 BDADMP CNc1ccc(NC[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC001171334201 973871459 /nfs/dbraw/zinc/87/14/59/973871459.db2.gz JUEFQJXQLCPUAH-SNVBAGLBSA-N 2 1 220.320 1.677 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001257214866 971130753 /nfs/dbraw/zinc/13/07/53/971130753.db2.gz NGEWSQIPSWBNNG-ZIAGYGMSSA-N 2 1 238.375 1.722 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001257214866 971130756 /nfs/dbraw/zinc/13/07/56/971130756.db2.gz NGEWSQIPSWBNNG-ZIAGYGMSSA-N 2 1 238.375 1.722 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405237164 971213960 /nfs/dbraw/zinc/21/39/60/971213960.db2.gz UDAKSFYQABOKDE-STQMWFEESA-N 2 1 248.374 1.396 20 0 BDADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C12CCC2 ZINC000405222615 971213829 /nfs/dbraw/zinc/21/38/29/971213829.db2.gz NFOLSOXBKAOUMV-DGAVXFQQSA-N 2 1 249.402 1.473 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405242430 971220032 /nfs/dbraw/zinc/22/00/32/971220032.db2.gz WXCRCUUJACJLQT-AGIUHOORSA-N 2 1 237.391 1.188 20 0 BDADMP CCCC[C@H](CC)[N@@H+](CCN)CCO ZINC001257410571 971302028 /nfs/dbraw/zinc/30/20/28/971302028.db2.gz UWZFSRCRJNXMQG-NSHDSACASA-N 2 1 202.342 1.208 20 0 BDADMP CCCC[C@H](CC)[N@@H+](CC[NH3+])CCO ZINC001257410571 971302037 /nfs/dbraw/zinc/30/20/37/971302037.db2.gz UWZFSRCRJNXMQG-NSHDSACASA-N 2 1 202.342 1.208 20 0 BDADMP CCCCCCc1nnc([C@H]([NH3+])CCC[NH3+])o1 ZINC001217694859 971329824 /nfs/dbraw/zinc/32/98/24/971329824.db2.gz FJHOGPVOKIIYOS-SNVBAGLBSA-N 2 1 240.351 1.931 20 0 BDADMP Cc1cccc(-c2nnc([C@H]([NH3+])CCC[NH3+])o2)c1 ZINC001217694613 971330754 /nfs/dbraw/zinc/33/07/54/971330754.db2.gz CJAHOQIDGNQOKJ-LLVKDONJSA-N 2 1 246.314 1.784 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CCC[N@@H+](C)C1 ZINC001224929187 974076470 /nfs/dbraw/zinc/07/64/70/974076470.db2.gz ZWCFRLZMNQUXPG-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP Cc1nnc([C@@H]([NH3+])CCCC[NH+](C)C)o1 ZINC001217712466 971352958 /nfs/dbraw/zinc/35/29/58/971352958.db2.gz AMFZETXEXOQUKK-VIFPVBQESA-N 2 1 212.297 1.110 20 0 BDADMP CC(C)Cc1nnc([C@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001217733898 971371855 /nfs/dbraw/zinc/37/18/55/971371855.db2.gz WZPCXPMRWHNZGH-LLVKDONJSA-N 2 1 238.335 1.268 20 0 BDADMP C[C@@H]1C[C@H]1c1nnc([C@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001217733297 971373404 /nfs/dbraw/zinc/37/34/04/971373404.db2.gz QJSISJHHAPAYCB-SZEHBUNVSA-N 2 1 236.319 1.192 20 0 BDADMP CC(C)Cc1nnc([C@@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001217733899 971374728 /nfs/dbraw/zinc/37/47/28/971374728.db2.gz WZPCXPMRWHNZGH-NSHDSACASA-N 2 1 238.335 1.268 20 0 BDADMP CC1(C[NH2+][C@H]2CCC[NH2+]C2)CC(F)(F)C1 ZINC000720991352 974172933 /nfs/dbraw/zinc/17/29/33/974172933.db2.gz AFYMXQWEHPPXRD-VIFPVBQESA-N 2 1 218.291 1.763 20 0 BDADMP COC(=O)C1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001257853176 971504393 /nfs/dbraw/zinc/50/43/93/971504393.db2.gz ALNSMOWWLUDCFY-UHFFFAOYSA-N 2 1 228.336 1.045 20 0 BDADMP CC(C)OC1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001257877543 971513923 /nfs/dbraw/zinc/51/39/23/971513923.db2.gz MZFJJUSIAFQZMJ-UHFFFAOYSA-N 2 1 226.364 1.804 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+]C2CC(=O)C2)CC1 ZINC001258002923 971552780 /nfs/dbraw/zinc/55/27/80/971552780.db2.gz NYWVOCQWIVSULF-UHFFFAOYSA-N 2 1 224.348 1.428 20 0 BDADMP CC(C)C[NH+]1CCC([N@@H+](C)[C@H]2CCOC2)CC1 ZINC001258014498 971559347 /nfs/dbraw/zinc/55/93/47/971559347.db2.gz MBHFCGVESVHRPP-AWEZNQCLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218213833 971633953 /nfs/dbraw/zinc/63/39/53/971633953.db2.gz KCJATYICQNLTOW-ZDUSSCGKSA-N 2 1 220.316 1.618 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCO[C@H](C[NH3+])C3)C[C@@H]21 ZINC001170719713 971646088 /nfs/dbraw/zinc/64/60/88/971646088.db2.gz GKEWTLHCMNZVPU-KKOKHZNYSA-N 2 1 224.348 1.081 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCO[C@H](C[NH3+])C3)C[C@@H]21 ZINC001170719713 971646095 /nfs/dbraw/zinc/64/60/95/971646095.db2.gz GKEWTLHCMNZVPU-KKOKHZNYSA-N 2 1 224.348 1.081 20 0 BDADMP CC(C)N(CC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103508 974361705 /nfs/dbraw/zinc/36/17/05/974361705.db2.gz VQPPHUZBRDVNLV-WDNDVIMCSA-N 2 1 239.407 1.671 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)C2 ZINC001172108689 974374267 /nfs/dbraw/zinc/37/42/67/974374267.db2.gz YCRQBKUJOBNRKY-HALBRFILSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)C2 ZINC001172108689 974374273 /nfs/dbraw/zinc/37/42/73/974374273.db2.gz YCRQBKUJOBNRKY-HALBRFILSA-N 2 1 224.348 1.115 20 0 BDADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](C)C2)CC1 ZINC001172252116 974514883 /nfs/dbraw/zinc/51/48/83/974514883.db2.gz HQNDIHNWDUVGHU-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](C)C2)CC1 ZINC001172252116 974514886 /nfs/dbraw/zinc/51/48/86/974514886.db2.gz HQNDIHNWDUVGHU-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CCCNc1cc[nH+]c(NCC[C@@H](C)[NH3+])n1 ZINC001170887019 972037855 /nfs/dbraw/zinc/03/78/55/972037855.db2.gz OTJWDQDBOSITQA-SECBINFHSA-N 2 1 223.324 1.448 20 0 BDADMP Cc1[nH+]ccn1-c1cc(NCC[C@@H](C)[NH3+])ncn1 ZINC001170889626 972038830 /nfs/dbraw/zinc/03/88/30/972038830.db2.gz SFQPVEGCWFLXHJ-SECBINFHSA-N 2 1 246.318 1.120 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246089907 972143031 /nfs/dbraw/zinc/14/30/31/972143031.db2.gz HREBXWNLHXCXHK-NEPJUHHUSA-N 2 1 222.332 1.942 20 0 BDADMP COC(=O)CCCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246091486 972147098 /nfs/dbraw/zinc/14/70/98/972147098.db2.gz LKPIQDYDFWRNHT-LBPRGKRZSA-N 2 1 242.363 1.452 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106339 972170379 /nfs/dbraw/zinc/17/03/79/972170379.db2.gz PLGHDAOGTGTEAQ-VNHYZAJKSA-N 2 1 247.386 1.990 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246106163 972169022 /nfs/dbraw/zinc/16/90/22/972169022.db2.gz DLHWLGKFPIGSEG-IZXDZPFWSA-N 3 1 235.375 1.023 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246119646 972185087 /nfs/dbraw/zinc/18/50/87/972185087.db2.gz WSYPEUIDKOUVIX-RKQHYHRCSA-N 2 1 237.391 1.199 20 0 BDADMP O=C1C[C@@H]2CC([NH2+][C@@H]3C[NH2+]CC34CC4)C[C@H]2C1 ZINC001246134594 972191919 /nfs/dbraw/zinc/19/19/19/972191919.db2.gz RHVOCMOJJMLSLI-OUJBWJOFSA-N 2 1 234.343 1.086 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCSCC1 ZINC000822127100 972200515 /nfs/dbraw/zinc/20/05/15/972200515.db2.gz FNZFLOYBDRCBFC-GFCCVEGCSA-N 2 1 228.405 1.956 20 0 BDADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246198568 972214349 /nfs/dbraw/zinc/21/43/49/972214349.db2.gz GCTGHZXCAVKAFP-YPMHNXCESA-N 2 1 249.358 1.710 20 0 BDADMP CC[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206176 972217105 /nfs/dbraw/zinc/21/71/05/972217105.db2.gz XXFJKOCBXUDCGJ-YVECIDJPSA-N 3 1 225.380 1.377 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001208606056 957086510 /nfs/dbraw/zinc/08/65/10/957086510.db2.gz DKWBBFSSBSORBS-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001208606056 957086522 /nfs/dbraw/zinc/08/65/22/957086522.db2.gz DKWBBFSSBSORBS-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+](Cc1ccnnc1)CC1CC[NH+](C)CC1 ZINC001139983293 957281991 /nfs/dbraw/zinc/28/19/91/957281991.db2.gz RRHSPJINLGXNOW-UHFFFAOYSA-N 2 1 234.347 1.250 20 0 BDADMP COCOCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209032473 957291915 /nfs/dbraw/zinc/29/19/15/957291915.db2.gz WBBMEFMRCOPEOO-UHFFFAOYSA-N 2 1 242.363 1.167 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@@H](C)CC[C@@H]1CN ZINC000705781089 957483805 /nfs/dbraw/zinc/48/38/05/957483805.db2.gz OTZUCEFKSPQODX-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP CCOC(C)(C)C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000705781089 957483816 /nfs/dbraw/zinc/48/38/16/957483816.db2.gz OTZUCEFKSPQODX-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP CCOC(=O)C1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000725381452 957500507 /nfs/dbraw/zinc/50/05/07/957500507.db2.gz ZBWVAYNBSRIAGE-CXQJBGSLSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)C1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000725381452 957500518 /nfs/dbraw/zinc/50/05/18/957500518.db2.gz ZBWVAYNBSRIAGE-CXQJBGSLSA-N 2 1 240.347 1.141 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000693025894 957512752 /nfs/dbraw/zinc/51/27/52/957512752.db2.gz GEOMFLJSCXFHQK-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CN(Cc2c[nH+]ccc2N)C[C@H](C)[N@@H+]1C ZINC001209730010 957525151 /nfs/dbraw/zinc/52/51/51/957525151.db2.gz CUPSXKXRHQNTDT-PHIMTYICSA-N 2 1 234.347 1.019 20 0 BDADMP [NH3+]CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705882432 957533252 /nfs/dbraw/zinc/53/32/52/957533252.db2.gz VMRVQQPSJJKLDF-GASCZTMLSA-N 2 1 245.370 1.009 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)CCC(C)C ZINC001246400812 972311031 /nfs/dbraw/zinc/31/10/31/972311031.db2.gz HZJPANFNUJURBY-RYUDHWBXSA-N 2 1 244.379 1.681 20 0 BDADMP C1[C@@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C12C[NH2+]C2 ZINC001246444286 972316088 /nfs/dbraw/zinc/31/60/88/972316088.db2.gz JXSWEGICYUFQMW-GXTWGEPZSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C[C@@H](C)C1 ZINC001246452703 972322854 /nfs/dbraw/zinc/32/28/54/972322854.db2.gz LVWXDUIYCQPUSD-WDNDVIMCSA-N 3 1 241.423 1.729 20 0 BDADMP C[C@H](O)C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398310012 958201600 /nfs/dbraw/zinc/20/16/00/958201600.db2.gz XHYNVYNJVAMREO-SPWCGHHHSA-N 2 1 246.354 1.087 20 0 BDADMP C[C@H](O)C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398310012 958201615 /nfs/dbraw/zinc/20/16/15/958201615.db2.gz XHYNVYNJVAMREO-SPWCGHHHSA-N 2 1 246.354 1.087 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CCOCC3)C[NH2+]1 ZINC000399028359 958491605 /nfs/dbraw/zinc/49/16/05/958491605.db2.gz KSMUDXBNLLGKMN-GRYCIOLGSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCC(C)(C)CO)C[NH2+]1 ZINC000399119686 958517131 /nfs/dbraw/zinc/51/71/31/958517131.db2.gz OIDZNQHKSRZCQO-RYUDHWBXSA-N 2 1 228.380 1.515 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399227156 958574201 /nfs/dbraw/zinc/57/42/01/958574201.db2.gz NOYWIERPOWEDMM-JSGCOSHPSA-N 2 1 248.370 1.968 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081468 972362622 /nfs/dbraw/zinc/36/26/22/972362622.db2.gz YCCZUEIFYGSTOU-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP C1C[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CO1 ZINC000707639464 958639323 /nfs/dbraw/zinc/63/93/23/958639323.db2.gz FBYFMMABYAXZCI-PIGZVRMJSA-N 2 1 236.359 1.382 20 0 BDADMP CCOCC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001172408513 974668279 /nfs/dbraw/zinc/66/82/79/974668279.db2.gz JAGGCNOJZMNEJQ-NSHDSACASA-N 2 1 225.336 1.596 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000690739029 958856505 /nfs/dbraw/zinc/85/65/05/958856505.db2.gz PNJACEKVABQERE-SECBINFHSA-N 2 1 211.334 1.314 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693587079 958891268 /nfs/dbraw/zinc/89/12/68/958891268.db2.gz XVFCLMOXIPWRMR-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000693617862 959011460 /nfs/dbraw/zinc/01/14/60/959011460.db2.gz UMSPVSTWVOZOLF-WISYIIOYSA-N 2 1 212.337 1.223 20 0 BDADMP CCn1cc(C[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000693697960 959207516 /nfs/dbraw/zinc/20/75/16/959207516.db2.gz LWCNOSKMHURYPE-UHFFFAOYSA-N 2 1 238.379 1.854 20 0 BDADMP C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[N@@H+](C)C1CC1 ZINC000405238377 959423404 /nfs/dbraw/zinc/42/34/04/959423404.db2.gz VBHCKBJEIZUSPJ-RTXFEEFZSA-N 2 1 237.391 1.329 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000308868045 959529620 /nfs/dbraw/zinc/52/96/20/959529620.db2.gz RHYYKOYQDLWTAL-VXGBXAGGSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccnn1C ZINC000693909413 959529712 /nfs/dbraw/zinc/52/97/12/959529712.db2.gz GOUILVGXKUQLQM-NEPJUHHUSA-N 2 1 236.363 1.555 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccnn1C ZINC000693909413 959529725 /nfs/dbraw/zinc/52/97/25/959529725.db2.gz GOUILVGXKUQLQM-NEPJUHHUSA-N 2 1 236.363 1.555 20 0 BDADMP CCSC[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530873 972437193 /nfs/dbraw/zinc/43/71/93/972437193.db2.gz OOWWVOZOEHXRQF-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP CCSC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530873 972437195 /nfs/dbraw/zinc/43/71/95/972437195.db2.gz OOWWVOZOEHXRQF-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000309720761 959688867 /nfs/dbraw/zinc/68/88/67/959688867.db2.gz MDXDRYOGCISULK-AWEZNQCLSA-N 2 1 248.370 1.874 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccccn1 ZINC000694068834 959713429 /nfs/dbraw/zinc/71/34/29/959713429.db2.gz LKPDAGXHVHDNRW-LBPRGKRZSA-N 2 1 244.342 1.807 20 0 BDADMP [NH3+]CCCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385363 972451694 /nfs/dbraw/zinc/45/16/94/972451694.db2.gz KZEDTZSWBJKMSF-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385363 972451697 /nfs/dbraw/zinc/45/16/97/972451697.db2.gz KZEDTZSWBJKMSF-CQSZACIVSA-N 3 1 239.407 1.724 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000708824629 959858304 /nfs/dbraw/zinc/85/83/04/959858304.db2.gz AEWRLTJZGLYNJC-GXSJLCMTSA-N 2 1 208.305 1.615 20 0 BDADMP OCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222420530 972473131 /nfs/dbraw/zinc/47/31/31/972473131.db2.gz DRZOPPBYQXSPOO-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222420530 972473137 /nfs/dbraw/zinc/47/31/37/972473137.db2.gz DRZOPPBYQXSPOO-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP C[C@H]1CC[C@H](Oc2ccc(C(=O)C[NH3+])cc2)C[NH2+]1 ZINC001218401024 960062155 /nfs/dbraw/zinc/06/21/55/960062155.db2.gz BODCFCBMQHCQGI-GWCFXTLKSA-N 2 1 248.326 1.347 20 0 BDADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)[C@@](C)(CO)C1 ZINC001207436812 960090088 /nfs/dbraw/zinc/09/00/88/960090088.db2.gz QBRPFHPUJIQSRE-CQSZACIVSA-N 2 1 240.391 1.469 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@H](O)C2)CC1 ZINC001207479548 960352448 /nfs/dbraw/zinc/35/24/48/960352448.db2.gz JZKKOMDJLJTHGV-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1CO ZINC000709415934 960586636 /nfs/dbraw/zinc/58/66/36/960586636.db2.gz SQGWVKAHQIMUFL-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP O[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709489027 960622376 /nfs/dbraw/zinc/62/23/76/960622376.db2.gz GHQPGBWILSPWKO-HNGCFSAESA-N 2 1 224.348 1.116 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)[nH]n1 ZINC001203071182 960629840 /nfs/dbraw/zinc/62/98/40/960629840.db2.gz INQMEWRGFOLTGD-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)[nH]n1 ZINC001203071182 960629852 /nfs/dbraw/zinc/62/98/52/960629852.db2.gz INQMEWRGFOLTGD-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]n1 ZINC001203071182 960629869 /nfs/dbraw/zinc/62/98/69/960629869.db2.gz INQMEWRGFOLTGD-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]n1 ZINC001203071182 960629881 /nfs/dbraw/zinc/62/98/81/960629881.db2.gz INQMEWRGFOLTGD-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP CC(C)(C)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492374 972525155 /nfs/dbraw/zinc/52/51/55/972525155.db2.gz VDYPBJKRCHOIDT-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925701274 960694236 /nfs/dbraw/zinc/69/42/36/960694236.db2.gz WSLJYMJJDAUWOW-JHJVBQTASA-N 2 1 239.407 1.482 20 0 BDADMP C[NH+]1CCC(O[C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001222504342 972527584 /nfs/dbraw/zinc/52/75/84/972527584.db2.gz RBXMZCSYMXKGSX-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1ncoc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206624371 960828913 /nfs/dbraw/zinc/82/89/13/960828913.db2.gz VGEJIPBVVQLCCQ-NSHDSACASA-N 2 1 223.320 1.544 20 0 BDADMP Cc1ccc(NCc2ccc(N)[nH+]c2C)[nH+]c1N ZINC001167785415 960867716 /nfs/dbraw/zinc/86/77/16/960867716.db2.gz QVAWZZFVNNXXPH-UHFFFAOYSA-N 2 1 243.314 1.870 20 0 BDADMP C[C@@H]1C[C@H]1[C@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000925771264 961064873 /nfs/dbraw/zinc/06/48/73/961064873.db2.gz AKDDISPIAOTPLU-PRFQISJJSA-N 2 1 222.376 1.866 20 0 BDADMP COCC[N@H+](C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000234724300 961633752 /nfs/dbraw/zinc/63/37/52/961633752.db2.gz VIHUDUCZOGZMOD-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP COCC[N@@H+](C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000234724300 961633764 /nfs/dbraw/zinc/63/37/64/961633764.db2.gz VIHUDUCZOGZMOD-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP COc1ccoc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639918 962260900 /nfs/dbraw/zinc/26/09/00/962260900.db2.gz GJUKZHOQGSBDQM-NSHDSACASA-N 2 1 238.331 1.849 20 0 BDADMP COc1ccoc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639918 962260918 /nfs/dbraw/zinc/26/09/18/962260918.db2.gz GJUKZHOQGSBDQM-NSHDSACASA-N 2 1 238.331 1.849 20 0 BDADMP O[C@@H](CCc1ccccc1)C[N@@H+]1CCC[NH2+]CC1 ZINC000696331173 962811148 /nfs/dbraw/zinc/81/11/48/962811148.db2.gz LOMMATMOMUJQCG-HNNXBMFYSA-N 2 1 248.370 1.275 20 0 BDADMP O[C@@H](CCc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC000696331173 962811154 /nfs/dbraw/zinc/81/11/54/962811154.db2.gz LOMMATMOMUJQCG-HNNXBMFYSA-N 2 1 248.370 1.275 20 0 BDADMP Cc1nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)c(C)[nH+]1 ZINC001155588294 963119027 /nfs/dbraw/zinc/11/90/27/963119027.db2.gz TVPYLAOUPGXZSD-AGIUHOORSA-N 2 1 246.358 1.812 20 0 BDADMP Cc1[nH+]ccn1CCNc1cc(N(C)C)cc[nH+]1 ZINC001156006606 963228442 /nfs/dbraw/zinc/22/84/42/963228442.db2.gz CMHPWSINXRJEKM-UHFFFAOYSA-N 2 1 245.330 1.765 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168076652 963617426 /nfs/dbraw/zinc/61/74/26/963617426.db2.gz ZBTCGFHPWPIASL-XGFWRYKXSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697017448 963641118 /nfs/dbraw/zinc/64/11/18/963641118.db2.gz SEWYBJORVAHFHS-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000697017448 963641123 /nfs/dbraw/zinc/64/11/23/963641123.db2.gz SEWYBJORVAHFHS-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1c[nH+]c(N2CC[C@](F)(C[NH3+])C2)c(C)c1 ZINC001157812732 963734784 /nfs/dbraw/zinc/73/47/84/963734784.db2.gz GZEJMNKDKLLGDB-LBPRGKRZSA-N 2 1 223.295 1.576 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC001168139376 963841277 /nfs/dbraw/zinc/84/12/77/963841277.db2.gz SDWMYLZXZGZXJN-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC001168139376 963841281 /nfs/dbraw/zinc/84/12/81/963841281.db2.gz SDWMYLZXZGZXJN-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC001168139376 963841285 /nfs/dbraw/zinc/84/12/85/963841285.db2.gz SDWMYLZXZGZXJN-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP CC(=O)Nc1cc[nH+]c(NC2(C)CC[NH2+]CC2)c1 ZINC001168182741 963936336 /nfs/dbraw/zinc/93/63/36/963936336.db2.gz ZYXJDXIJJFGZNG-UHFFFAOYSA-N 2 1 248.330 1.594 20 0 BDADMP CCc1nc(N2CCC3(C[NH2+]C3)CC2)cc(C)[nH+]1 ZINC001159049465 963984915 /nfs/dbraw/zinc/98/49/15/963984915.db2.gz HPQXBDKHEQGZOU-UHFFFAOYSA-N 2 1 246.358 1.537 20 0 BDADMP Cc1cc2c(nc[nH+]c2NCC[C@@H](C)[NH3+])[nH]1 ZINC001159774618 964192077 /nfs/dbraw/zinc/19/20/77/964192077.db2.gz HGKANMLBXITWRH-SSDOTTSWSA-N 2 1 219.292 1.416 20 0 BDADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)C(C)C ZINC001272178641 964295925 /nfs/dbraw/zinc/29/59/25/964295925.db2.gz NTKHYFQUMVXWMB-UHFFFAOYSA-N 2 1 243.395 1.125 20 0 BDADMP CC(C)[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001272178641 964295935 /nfs/dbraw/zinc/29/59/35/964295935.db2.gz NTKHYFQUMVXWMB-UHFFFAOYSA-N 2 1 243.395 1.125 20 0 BDADMP CC(C)[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001272178641 964295936 /nfs/dbraw/zinc/29/59/36/964295936.db2.gz NTKHYFQUMVXWMB-UHFFFAOYSA-N 2 1 243.395 1.125 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc[nH+]c(N)n1)C2 ZINC001160473313 964311431 /nfs/dbraw/zinc/31/14/31/964311431.db2.gz VQAMJMDVMGEZFU-RTCCRHLQSA-N 2 1 247.346 1.486 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc[nH+]c(N)n1)C2 ZINC001160473313 964311434 /nfs/dbraw/zinc/31/14/34/964311434.db2.gz VQAMJMDVMGEZFU-RTCCRHLQSA-N 2 1 247.346 1.486 20 0 BDADMP COC[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168314473 964423062 /nfs/dbraw/zinc/42/30/62/964423062.db2.gz LZCXSXYFKFBTOP-IYXRBSQSSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](O)CC2)CC1 ZINC001168315558 964426526 /nfs/dbraw/zinc/42/65/26/964426526.db2.gz YVZWIFIYLLWREW-RUXDESIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315054 964427210 /nfs/dbraw/zinc/42/72/10/964427210.db2.gz QHVSDENOZYXEBG-BLYZHGLHSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)NC(C)(C)CC[NH+](C)C ZINC001142590268 964648284 /nfs/dbraw/zinc/64/82/84/964648284.db2.gz PSBHMCGYHWIQNF-UHFFFAOYSA-N 2 1 243.395 1.173 20 0 BDADMP C[NH+]1CCCC[C@H]1CO[C@H]1CCC[N@H+](C)C1 ZINC001224701146 964885370 /nfs/dbraw/zinc/88/53/70/964885370.db2.gz CZBUEFKQVDPKJK-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224701146 964885373 /nfs/dbraw/zinc/88/53/73/964885373.db2.gz CZBUEFKQVDPKJK-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224701146 964885380 /nfs/dbraw/zinc/88/53/80/964885380.db2.gz CZBUEFKQVDPKJK-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224745237 964916903 /nfs/dbraw/zinc/91/69/03/964916903.db2.gz ZBJFQTXIFAAAFK-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP Nc1cc(Cl)cc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001162391899 964953269 /nfs/dbraw/zinc/95/32/69/964953269.db2.gz ONYRLPXCLQLFON-BDAKNGLRSA-N 2 1 240.738 1.999 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]c2ccc3[nH]c(=O)cc-3[nH]2)C1 ZINC001162402718 964961607 /nfs/dbraw/zinc/96/16/07/964961607.db2.gz WBNPJUDCTITGBG-DTWKUNHWSA-N 2 1 246.314 1.258 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(N)[nH+]c1 ZINC001162458007 964984247 /nfs/dbraw/zinc/98/42/47/964984247.db2.gz SKOCMFPIDJTXLL-QWRGUYRKSA-N 2 1 234.347 1.711 20 0 BDADMP C1=C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000698207863 965106321 /nfs/dbraw/zinc/10/63/21/965106321.db2.gz XXPBARLRXZLXGV-NSHDSACASA-N 2 1 206.333 1.921 20 0 BDADMP C[C@H]1[NH2+]CC[C@H]1Nc1cccn2cc[nH+]c12 ZINC001162673423 965106391 /nfs/dbraw/zinc/10/63/91/965106391.db2.gz QFICBWONTPDEJF-NXEZZACHSA-N 2 1 216.288 1.497 20 0 BDADMP CCc1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)nc(C)[nH+]1 ZINC001162797194 965187917 /nfs/dbraw/zinc/18/79/17/965187917.db2.gz JYHQNIDJZGUNGH-RAIGVLPGSA-N 2 1 244.342 1.533 20 0 BDADMP Cc1ccc(N[C@@H]2COCCC23C[NH2+]C3)[nH+]c1 ZINC001163066985 965251009 /nfs/dbraw/zinc/25/10/09/965251009.db2.gz ZXAOTCLTWWRMJW-LLVKDONJSA-N 2 1 233.315 1.180 20 0 BDADMP c1cc2c[nH+]c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)nc2[nH]1 ZINC001163261445 965319928 /nfs/dbraw/zinc/31/99/28/965319928.db2.gz WVWHPSHCJABSOP-MIMYLULJSA-N 2 1 243.314 1.319 20 0 BDADMP c1[nH]c2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)cc2[nH+]1 ZINC001163348111 965346605 /nfs/dbraw/zinc/34/66/05/965346605.db2.gz UIBKAEYFOURJNI-WXHSDQCUSA-N 2 1 244.298 1.104 20 0 BDADMP CC[N@@H+](CCCC(=O)OC)CC1CC[NH2+]CC1 ZINC000094024878 965389812 /nfs/dbraw/zinc/38/98/12/965389812.db2.gz XNCSFCZUQWDTLD-UHFFFAOYSA-N 2 1 242.363 1.261 20 0 BDADMP CCCOCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000714986480 965578622 /nfs/dbraw/zinc/57/86/22/965578622.db2.gz PRBVHMVLIKFBBK-GFCCVEGCSA-N 2 1 214.353 1.487 20 0 BDADMP Cc1[nH+]ccn1CCNc1cccc(C[NH3+])n1 ZINC001163929958 965640926 /nfs/dbraw/zinc/64/09/26/965640926.db2.gz WHZXWDPEZNRSCI-UHFFFAOYSA-N 2 1 231.303 1.157 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)CC1 ZINC001205093984 965723498 /nfs/dbraw/zinc/72/34/98/965723498.db2.gz IKFFBMAXPYCBIH-LLVKDONJSA-N 2 1 221.304 1.100 20 0 BDADMP C[C@@]1(C[NH3+])CCCN(c2cc(N)[nH+]cn2)CC1 ZINC001164247189 965808703 /nfs/dbraw/zinc/80/87/03/965808703.db2.gz GSKFIQGSSJHECZ-GFCCVEGCSA-N 2 1 235.335 1.014 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699212065 965817627 /nfs/dbraw/zinc/81/76/27/965817627.db2.gz SDPQHICUXNMZRB-WTUNAVPPSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@@H]2CC)C1 ZINC000699485280 965908401 /nfs/dbraw/zinc/90/84/01/965908401.db2.gz OEBKMRWOZVLXID-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP CCCCCC[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051940 965997842 /nfs/dbraw/zinc/99/78/42/965997842.db2.gz CVTQVSIAKXTKDO-ZDUSSCGKSA-N 2 1 225.380 1.204 20 0 BDADMP COC1CCC(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235976830 966188414 /nfs/dbraw/zinc/18/84/14/966188414.db2.gz CCNWZIROQHIWGS-GNRIBBGQSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+]CC[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001235995576 966213839 /nfs/dbraw/zinc/21/38/39/966213839.db2.gz ZXMNVNSMTZDPAY-UHFFFAOYSA-N 2 1 200.301 1.549 20 0 BDADMP [NH3+]CC[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001235995576 966213823 /nfs/dbraw/zinc/21/38/23/966213823.db2.gz ZXMNVNSMTZDPAY-UHFFFAOYSA-N 2 1 200.301 1.549 20 0 BDADMP Cn1ccc2c1[nH+]ccc2-n1ccnc1CC[NH3+] ZINC001166383265 966274300 /nfs/dbraw/zinc/27/43/00/966274300.db2.gz OCOUJYMDWGCKNN-UHFFFAOYSA-N 2 1 241.298 1.260 20 0 BDADMP OCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314164 966362658 /nfs/dbraw/zinc/36/26/58/966362658.db2.gz ILKDYDHHLWCYRG-BETUJISGSA-N 2 1 226.364 1.080 20 0 BDADMP CC[N@@H+](C)CCCN(C)C(=O)CCC[NH+](C)C ZINC001484755394 966512892 /nfs/dbraw/zinc/51/28/92/966512892.db2.gz YVCXPFBAXPJRIZ-UHFFFAOYSA-N 2 1 243.395 1.128 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(C)[nH+]1 ZINC001237413327 966658152 /nfs/dbraw/zinc/65/81/52/966658152.db2.gz IKVATTHQRTXKGG-CHWSQXEVSA-N 2 1 248.374 1.600 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@@H]2C1 ZINC001204007279 966847936 /nfs/dbraw/zinc/84/79/36/966847936.db2.gz VRGUADGDACHATG-NEPJUHHUSA-N 2 1 219.332 1.398 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@@H]2C1 ZINC001204007279 966847937 /nfs/dbraw/zinc/84/79/37/966847937.db2.gz VRGUADGDACHATG-NEPJUHHUSA-N 2 1 219.332 1.398 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205222035 966879688 /nfs/dbraw/zinc/87/96/88/966879688.db2.gz ZUDKZFZOFQZDTB-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(C3=CCOC3)cn12 ZINC001239481461 966896031 /nfs/dbraw/zinc/89/60/31/966896031.db2.gz OLZHDPTWCPNHDS-UHFFFAOYSA-N 2 1 241.294 1.435 20 0 BDADMP Cc1cc(Nc2ccc[nH+]c2N)cc[nH+]1 ZINC001212389622 966999601 /nfs/dbraw/zinc/99/96/01/966999601.db2.gz WTQRPOMDFZRCPW-UHFFFAOYSA-N 2 1 200.245 1.533 20 0 BDADMP Cc1cc(Nc2[nH+]ccn2C)c[nH+]c1N ZINC001249779757 967051075 /nfs/dbraw/zinc/05/10/75/967051075.db2.gz ZUKKFUWNHXCKMP-UHFFFAOYSA-N 2 1 203.249 1.449 20 0 BDADMP C[C@@]1([NH3+])CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001204792151 967172942 /nfs/dbraw/zinc/17/29/42/967172942.db2.gz UDXGDBAMORGKSE-CYBMUJFWSA-N 2 1 230.315 1.257 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1CO ZINC000691346669 967236337 /nfs/dbraw/zinc/23/63/37/967236337.db2.gz CUHRLPIXKFBTLH-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938498 967245723 /nfs/dbraw/zinc/24/57/23/967245723.db2.gz MJFVJSXDTYDIMB-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@]1([NH3+])CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC001204938498 967245728 /nfs/dbraw/zinc/24/57/28/967245728.db2.gz MJFVJSXDTYDIMB-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC000691350163 967261542 /nfs/dbraw/zinc/26/15/42/967261542.db2.gz NQNDGLCECOXPHV-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CSCCC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205058834 967316043 /nfs/dbraw/zinc/31/60/43/967316043.db2.gz VSBYRLYWXZHVAM-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP CSCCC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205058834 967316049 /nfs/dbraw/zinc/31/60/49/967316049.db2.gz VSBYRLYWXZHVAM-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP [NH3+][C@H]1CCCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001205094163 967337689 /nfs/dbraw/zinc/33/76/89/967337689.db2.gz JNRJYTFARNPRRQ-LBPRGKRZSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2cc(O)cc(O)c2)CC1 ZINC001205101518 967349684 /nfs/dbraw/zinc/34/96/84/967349684.db2.gz HQRCXPANCGRBLC-NSHDSACASA-N 2 1 236.315 1.411 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(O)cc(O)c2)CC1 ZINC001205101518 967349695 /nfs/dbraw/zinc/34/96/95/967349695.db2.gz HQRCXPANCGRBLC-NSHDSACASA-N 2 1 236.315 1.411 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3ccncc23)CC1 ZINC001205109150 967352728 /nfs/dbraw/zinc/35/27/28/967352728.db2.gz BPDMYZVHIFMWJJ-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2cnc3cc[nH]cc2-3)CC1 ZINC001205109150 967352738 /nfs/dbraw/zinc/35/27/38/967352738.db2.gz BPDMYZVHIFMWJJ-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc3cc[nH]cc2-3)CC1 ZINC001205109150 967352743 /nfs/dbraw/zinc/35/27/43/967352743.db2.gz BPDMYZVHIFMWJJ-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1C ZINC001205110634 967357829 /nfs/dbraw/zinc/35/78/29/967357829.db2.gz XKWUJBJOBWXYJV-GFCCVEGCSA-N 2 1 221.348 1.945 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205110604 967359457 /nfs/dbraw/zinc/35/94/57/967359457.db2.gz WXCCIUIGGMPXQK-LLVKDONJSA-N 2 1 235.331 1.409 20 0 BDADMP COCc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205116578 967364758 /nfs/dbraw/zinc/36/47/58/967364758.db2.gz DELOAQRDOWRVQG-LBPRGKRZSA-N 2 1 249.358 1.541 20 0 BDADMP COCc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205116578 967364772 /nfs/dbraw/zinc/36/47/72/967364772.db2.gz DELOAQRDOWRVQG-LBPRGKRZSA-N 2 1 249.358 1.541 20 0 BDADMP COCc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205116577 967366247 /nfs/dbraw/zinc/36/62/47/967366247.db2.gz DELOAQRDOWRVQG-GFCCVEGCSA-N 2 1 249.358 1.541 20 0 BDADMP COCc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205116577 967366256 /nfs/dbraw/zinc/36/62/56/967366256.db2.gz DELOAQRDOWRVQG-GFCCVEGCSA-N 2 1 249.358 1.541 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001205131400 967374641 /nfs/dbraw/zinc/37/46/41/967374641.db2.gz XTXXSXMQJHKCAN-GXTWGEPZSA-N 3 1 239.407 1.245 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205130524 967378597 /nfs/dbraw/zinc/37/85/97/967378597.db2.gz GZUBZDHPMCPYNV-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]1CN(CC[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205130524 967378601 /nfs/dbraw/zinc/37/86/01/967378601.db2.gz GZUBZDHPMCPYNV-XQQFMLRXSA-N 2 1 225.380 1.045 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC001205146387 967387550 /nfs/dbraw/zinc/38/75/50/967387550.db2.gz TWDQVJAXGCAYHJ-GXFFZTMASA-N 2 1 249.358 1.425 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)nc1 ZINC001205228376 967428827 /nfs/dbraw/zinc/42/88/27/967428827.db2.gz DVPSWTMUDXVGFI-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209687 967430267 /nfs/dbraw/zinc/43/02/67/967430267.db2.gz JWPXLDALLGVCAU-OLZOCXBDSA-N 2 1 228.380 1.598 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209689 967431057 /nfs/dbraw/zinc/43/10/57/967431057.db2.gz JWPXLDALLGVCAU-STQMWFEESA-N 2 1 228.380 1.598 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CCCn2cccn2)CC1 ZINC001205256228 967443461 /nfs/dbraw/zinc/44/34/61/967443461.db2.gz OAWMIIDMGPDBBO-ZDUSSCGKSA-N 2 1 236.363 1.477 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CCC23CC([NH3+])(C2)C3)CC1 ZINC001205255104 967444882 /nfs/dbraw/zinc/44/48/82/967444882.db2.gz GUQDBPBIPCFQIT-IYXRBSQSSA-N 3 1 237.391 1.461 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001205256905 967447000 /nfs/dbraw/zinc/44/70/00/967447000.db2.gz SBHWFQRAOGFWLV-ZDUSSCGKSA-N 3 1 225.380 1.189 20 0 BDADMP CCC1(C[N@H+]2CCC[C@@](C)([NH3+])CC2)COC1 ZINC001205255865 967447906 /nfs/dbraw/zinc/44/79/06/967447906.db2.gz MKEREAGPEFBTNG-GFCCVEGCSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cncc(O)c2)CC1 ZINC001205280603 967469949 /nfs/dbraw/zinc/46/99/49/967469949.db2.gz DEUGWDRZKRBYEK-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cncc(O)c2)CC1 ZINC001205280603 967469959 /nfs/dbraw/zinc/46/99/59/967469959.db2.gz DEUGWDRZKRBYEK-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2c1NCC2 ZINC001205331986 967550715 /nfs/dbraw/zinc/55/07/15/967550715.db2.gz LKTDIKVZQSXYAE-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2c1NCC2 ZINC001205331986 967550728 /nfs/dbraw/zinc/55/07/28/967550728.db2.gz LKTDIKVZQSXYAE-GFCCVEGCSA-N 2 1 245.370 1.838 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccnc2)CC1 ZINC001205545320 967662451 /nfs/dbraw/zinc/66/24/51/967662451.db2.gz CZPHAAOLLWEZMN-ZDUSSCGKSA-N 2 1 237.322 1.735 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205539157 967681943 /nfs/dbraw/zinc/68/19/43/967681943.db2.gz TUHGTSRYMVSCQT-GFCCVEGCSA-N 2 1 246.326 1.093 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545542 967692503 /nfs/dbraw/zinc/69/25/03/967692503.db2.gz JBVNRDMTOOJYJG-LBPRGKRZSA-N 2 1 240.326 1.073 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205604308 967723015 /nfs/dbraw/zinc/72/30/15/967723015.db2.gz UTIOZMYZCDRXCV-KGLIPLIRSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnccn2)CC[C@H]1C[NH3+] ZINC001205617888 967724279 /nfs/dbraw/zinc/72/42/79/967724279.db2.gz OUAYIWULYZEWBR-RYUDHWBXSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncn2)CC[C@@H]1C[NH3+] ZINC001205627496 967735557 /nfs/dbraw/zinc/73/55/57/967735557.db2.gz QCUODUKSGPGXCS-VXGBXAGGSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2csnn2)CC[C@H]1C[NH3+] ZINC001205627120 967737329 /nfs/dbraw/zinc/73/73/29/967737329.db2.gz MWISUDPDQWKZMG-ZJUUUORDSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2csnn2)CC[C@H]1C[NH3+] ZINC001205627120 967737334 /nfs/dbraw/zinc/73/73/34/967737334.db2.gz MWISUDPDQWKZMG-ZJUUUORDSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncco2)CC[C@H]1C[NH3+] ZINC001205629194 967737804 /nfs/dbraw/zinc/73/78/04/967737804.db2.gz YIILZCHQJRFFOM-MNOVXSKESA-N 2 1 223.320 1.481 20 0 BDADMP Cc1nonc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205655368 967749310 /nfs/dbraw/zinc/74/93/10/967749310.db2.gz ZPFVIUMSOBLGDT-MWLCHTKSSA-N 2 1 238.335 1.185 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCC=CO2)CCC1(F)F ZINC001205735533 967808033 /nfs/dbraw/zinc/80/80/33/967808033.db2.gz NGRMMSHJHHLURR-WDEREUQCSA-N 2 1 246.301 1.595 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCC=CO2)CCC1(F)F ZINC001205735533 967808035 /nfs/dbraw/zinc/80/80/35/967808035.db2.gz NGRMMSHJHHLURR-WDEREUQCSA-N 2 1 246.301 1.595 20 0 BDADMP CC(C)Nc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162383623 967817010 /nfs/dbraw/zinc/81/70/10/967817010.db2.gz AEBXHUCMXJWTKJ-WDEREUQCSA-N 2 1 249.362 1.979 20 0 BDADMP Cc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)n(C)n1 ZINC001205898157 967877884 /nfs/dbraw/zinc/87/78/84/967877884.db2.gz ZOYKFUGNGCABQC-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n(C)n1 ZINC001205898157 967877888 /nfs/dbraw/zinc/87/78/88/967877888.db2.gz ZOYKFUGNGCABQC-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n(C)n1 ZINC001205898157 967877895 /nfs/dbraw/zinc/87/78/95/967877895.db2.gz ZOYKFUGNGCABQC-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)n(C)n1 ZINC001205898157 967877898 /nfs/dbraw/zinc/87/78/98/967877898.db2.gz ZOYKFUGNGCABQC-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)n(C)n1 ZINC001205898157 967877905 /nfs/dbraw/zinc/87/79/05/967877905.db2.gz ZOYKFUGNGCABQC-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205903496 967879652 /nfs/dbraw/zinc/87/96/52/967879652.db2.gz PRTJJPDRACVHGJ-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCCC2CCCCC2)C[C@H]1O ZINC001205947045 967896031 /nfs/dbraw/zinc/89/60/31/967896031.db2.gz VWQLJDHSJJDRFB-ZIAGYGMSSA-N 2 1 240.391 1.741 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000706397634 967915690 /nfs/dbraw/zinc/91/56/90/967915690.db2.gz PYXADTVVXODULO-GSPSYOTPSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)c1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205973156 967925691 /nfs/dbraw/zinc/92/56/91/967925691.db2.gz JOKAQADDULNOLD-HUUCEWRRSA-N 2 1 248.370 1.704 20 0 BDADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205973156 967925711 /nfs/dbraw/zinc/92/57/11/967925711.db2.gz JOKAQADDULNOLD-HUUCEWRRSA-N 2 1 248.370 1.704 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2)CCC[C@@H]1C[NH3+] ZINC001205996391 967949242 /nfs/dbraw/zinc/94/92/42/967949242.db2.gz WSWLFXZWXUGSEA-GXTWGEPZSA-N 2 1 233.359 1.888 20 0 BDADMP C[NH2+]CCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710443975 967954663 /nfs/dbraw/zinc/95/46/63/967954663.db2.gz QZWFGOBQFYSTPE-SNVBAGLBSA-N 2 1 225.361 1.542 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710443975 967954682 /nfs/dbraw/zinc/95/46/82/967954682.db2.gz QZWFGOBQFYSTPE-SNVBAGLBSA-N 2 1 225.361 1.542 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003394 967957043 /nfs/dbraw/zinc/95/70/43/967957043.db2.gz HMNPVRXMQOYXJW-CMPLNLGQSA-N 2 1 237.347 1.790 20 0 BDADMP C[C@H]1C[N@H+](Cc2csnn2)CCC[C@@H]1C[NH3+] ZINC001206003412 967958048 /nfs/dbraw/zinc/95/80/48/967958048.db2.gz HQLUTEORSUHACS-VHSXEESVSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@H]1C[N@@H+](Cc2csnn2)CCC[C@@H]1C[NH3+] ZINC001206003412 967958066 /nfs/dbraw/zinc/95/80/66/967958066.db2.gz HQLUTEORSUHACS-VHSXEESVSA-N 2 1 240.376 1.345 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnco2)CCC[C@H]1C[NH3+] ZINC001206004781 967958567 /nfs/dbraw/zinc/95/85/67/967958567.db2.gz VIUPGCCHIFUMPB-QWRGUYRKSA-N 2 1 223.320 1.481 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206024529 967980806 /nfs/dbraw/zinc/98/08/06/967980806.db2.gz JSNNUPCLZRYHEO-AAEUAGOBSA-N 2 1 248.374 1.592 20 0 BDADMP CN(CCC[NH+](C)C)c1[nH+]cnc2c1ccn2C ZINC001163595987 968079123 /nfs/dbraw/zinc/07/91/23/968079123.db2.gz ZQGLCLZGCIOLLP-UHFFFAOYSA-N 2 1 247.346 1.356 20 0 BDADMP C[C@H]1CNCCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001206257693 968164411 /nfs/dbraw/zinc/16/44/11/968164411.db2.gz HTUCXYXRLBHQFD-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CNCCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001206257693 968164415 /nfs/dbraw/zinc/16/44/15/968164415.db2.gz HTUCXYXRLBHQFD-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)NCC3)C1 ZINC001206285335 968196495 /nfs/dbraw/zinc/19/64/95/968196495.db2.gz LMGDSFXLYBLJRT-LBPRGKRZSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)NCC3)C1 ZINC001206285335 968196504 /nfs/dbraw/zinc/19/65/04/968196504.db2.gz LMGDSFXLYBLJRT-LBPRGKRZSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001206296136 968203738 /nfs/dbraw/zinc/20/37/38/968203738.db2.gz PPRYKLNQMDWJFV-UONOGXRCSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cn[nH]c2)CC1 ZINC001206296413 968205946 /nfs/dbraw/zinc/20/59/46/968205946.db2.gz SPBWZDQVZNCZIJ-LBPRGKRZSA-N 2 1 222.336 1.361 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncccn2)CC1 ZINC001206305255 968216131 /nfs/dbraw/zinc/21/61/31/968216131.db2.gz XKQXINMTWKXOBG-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc[nH]c2)CC1 ZINC001206310877 968218829 /nfs/dbraw/zinc/21/88/29/968218829.db2.gz DVBMYWLLNRDNBH-ZDUSSCGKSA-N 2 1 221.348 1.966 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1O ZINC001206474526 968329364 /nfs/dbraw/zinc/32/93/64/968329364.db2.gz DFULPMCVTCUHPN-GXFFZTMASA-N 2 1 246.310 1.184 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)sc1C ZINC001206480597 968335906 /nfs/dbraw/zinc/33/59/06/968335906.db2.gz DWFWIBDZDHSUPP-CMPLNLGQSA-N 2 1 240.372 1.116 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001206541991 968367255 /nfs/dbraw/zinc/36/72/55/968367255.db2.gz OQHSVHCKPHFCEI-UONOGXRCSA-N 2 1 240.391 1.864 20 0 BDADMP Cc1nccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)n1 ZINC001206549843 968375957 /nfs/dbraw/zinc/37/59/57/968375957.db2.gz QVMFRFNZRDWQJB-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1nccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)n1 ZINC001206549843 968375967 /nfs/dbraw/zinc/37/59/67/968375967.db2.gz QVMFRFNZRDWQJB-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001206606565 968413192 /nfs/dbraw/zinc/41/31/92/968413192.db2.gz PKZQKCJUICJTHR-AWEZNQCLSA-N 2 1 239.407 1.437 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001206606354 968416437 /nfs/dbraw/zinc/41/64/37/968416437.db2.gz LOENEQPXXQTRJN-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001206606354 968416445 /nfs/dbraw/zinc/41/64/45/968416445.db2.gz LOENEQPXXQTRJN-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[NH+](C)C1 ZINC001276496426 968492991 /nfs/dbraw/zinc/49/29/91/968492991.db2.gz BQKKBOJLNLZPKE-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)no1 ZINC001206820651 968493162 /nfs/dbraw/zinc/49/31/62/968493162.db2.gz LRQKZPVYXXIVDY-UHFFFAOYSA-N 2 1 235.331 1.511 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1ccc[nH]c1=O ZINC001207000350 968534686 /nfs/dbraw/zinc/53/46/86/968534686.db2.gz JWUIYBZRLFLQEG-UHFFFAOYSA-N 2 1 223.320 1.171 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc[nH]c1=O ZINC001207000350 968534694 /nfs/dbraw/zinc/53/46/94/968534694.db2.gz JWUIYBZRLFLQEG-UHFFFAOYSA-N 2 1 223.320 1.171 20 0 BDADMP C[N@H+](Cc1ccc[nH]c1=O)C1CC[NH+](C)CC1 ZINC001207000469 968534790 /nfs/dbraw/zinc/53/47/90/968534790.db2.gz MPQCFCJBNLQEJM-UHFFFAOYSA-N 2 1 235.331 1.313 20 0 BDADMP C[N@@H+](Cc1ccc[nH]c1=O)C1CC[NH+](C)CC1 ZINC001207000469 968534792 /nfs/dbraw/zinc/53/47/92/968534792.db2.gz MPQCFCJBNLQEJM-UHFFFAOYSA-N 2 1 235.331 1.313 20 0 BDADMP CCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252108792 968593467 /nfs/dbraw/zinc/59/34/67/968593467.db2.gz SLJMNSJFUZEIHP-XJFOESAGSA-N 2 1 240.391 1.752 20 0 BDADMP CCCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001252113367 968597871 /nfs/dbraw/zinc/59/78/71/968597871.db2.gz YPWFWTUZZZVAHP-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001207391662 968747617 /nfs/dbraw/zinc/74/76/17/968747617.db2.gz KSJUXIYTDPPDQY-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](CCN(C)C)CC1CC[NH+](C)CC1 ZINC001207392190 968748373 /nfs/dbraw/zinc/74/83/73/968748373.db2.gz VVKMRGBUOGRSGV-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1CN(CC1CC[NH+](C)CC1)C2 ZINC001207399134 968749404 /nfs/dbraw/zinc/74/94/04/968749404.db2.gz CGJDZUGHGWNAEF-OKILXGFUSA-N 2 1 237.391 1.107 20 0 BDADMP CN1[C@@H]2CC[C@H]1C[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207399134 968749412 /nfs/dbraw/zinc/74/94/12/968749412.db2.gz CGJDZUGHGWNAEF-OKILXGFUSA-N 2 1 237.391 1.107 20 0 BDADMP CN1[C@@H]2CC[C@H]1C[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207399134 968749418 /nfs/dbraw/zinc/74/94/18/968749418.db2.gz CGJDZUGHGWNAEF-OKILXGFUSA-N 2 1 237.391 1.107 20 0 BDADMP Cn1ncc2c1C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207399799 968749486 /nfs/dbraw/zinc/74/94/86/968749486.db2.gz SYZQRRHVWAYDMF-UHFFFAOYSA-N 2 1 248.374 1.120 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@]23CCOC3)CC1 ZINC001207400292 968749811 /nfs/dbraw/zinc/74/98/11/968749811.db2.gz DFXQXGIGQQUQGJ-CYBMUJFWSA-N 2 1 224.348 1.193 20 0 BDADMP O[C@@]1(CF)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436994 968769905 /nfs/dbraw/zinc/76/99/05/968769905.db2.gz ZGXGSBUKUNZKIZ-CYBMUJFWSA-N 2 1 244.354 1.173 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@H]1O ZINC001207436370 968770219 /nfs/dbraw/zinc/77/02/19/968770219.db2.gz IUGPLQGYGYEBIF-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@]1(CF)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436586 968770623 /nfs/dbraw/zinc/77/06/23/968770623.db2.gz OQPLLFUIJQKUMK-LBPRGKRZSA-N 2 1 214.328 1.668 20 0 BDADMP CC(C)N(C)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207440878 968775544 /nfs/dbraw/zinc/77/55/44/968775544.db2.gz IWEOYWYLVPSPDS-AWEZNQCLSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@H+](C)[C@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC001207440878 968775551 /nfs/dbraw/zinc/77/55/51/968775551.db2.gz IWEOYWYLVPSPDS-AWEZNQCLSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC001207440878 968775562 /nfs/dbraw/zinc/77/55/62/968775562.db2.gz IWEOYWYLVPSPDS-AWEZNQCLSA-N 2 1 239.407 1.401 20 0 BDADMP c1cc2c(o1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207441120 968776105 /nfs/dbraw/zinc/77/61/05/968776105.db2.gz ROKMOMASNHQTAR-UHFFFAOYSA-N 2 1 220.316 1.637 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccno1 ZINC001207487747 968803820 /nfs/dbraw/zinc/80/38/20/968803820.db2.gz QCONJVYFOSONHS-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP Cn1ccc2c1nc[nH+]c2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154974238 968825596 /nfs/dbraw/zinc/82/55/96/968825596.db2.gz BWRCFXGCNLZETJ-ZJUUUORDSA-N 2 1 245.330 1.650 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000829274241 968826507 /nfs/dbraw/zinc/82/65/07/968826507.db2.gz BKPGEYNJJVTINN-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@H]2C1 ZINC001207838135 968896390 /nfs/dbraw/zinc/89/63/90/968896390.db2.gz WGTUKRFCNHMBNZ-USZNOCQGSA-N 2 1 226.389 1.422 20 0 BDADMP C[N@H+](C[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC001207950215 968945795 /nfs/dbraw/zinc/94/57/95/968945795.db2.gz PRYQPUUZBIEDQN-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC001207950215 968945804 /nfs/dbraw/zinc/94/58/04/968945804.db2.gz PRYQPUUZBIEDQN-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000165612197 968971636 /nfs/dbraw/zinc/97/16/36/968971636.db2.gz JNCNLOXHOZYOCG-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000165612197 968971641 /nfs/dbraw/zinc/97/16/41/968971641.db2.gz JNCNLOXHOZYOCG-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccco2)C12CCC2 ZINC000405298100 968973490 /nfs/dbraw/zinc/97/34/90/968973490.db2.gz HDNZKNBEVKCAGI-MNOVXSKESA-N 2 1 206.289 1.639 20 0 BDADMP Cc1cnc(C2=CC[N@@H+](C)CC2)nc1C1C[NH2+]C1 ZINC001241317045 968974237 /nfs/dbraw/zinc/97/42/37/968974237.db2.gz HPOMNHNLRQWVRL-UHFFFAOYSA-N 2 1 244.342 1.191 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001208108076 969000016 /nfs/dbraw/zinc/00/00/16/969000016.db2.gz PMAJRVHDGVHQBN-CHWSQXEVSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC=C(c2ccc(OC3C[NH2+]C3)cn2)C1 ZINC001241569764 969058490 /nfs/dbraw/zinc/05/84/90/969058490.db2.gz AAUIYEQQHNLWPK-UHFFFAOYSA-N 2 1 245.326 1.151 20 0 BDADMP CC[NH+](CC)C[C@H](O)CNc1[nH+]cccc1C ZINC001253174938 969094695 /nfs/dbraw/zinc/09/46/95/969094695.db2.gz SFJPERZQXRUCDQ-GFCCVEGCSA-N 2 1 237.347 1.505 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H](C)CC12CC2 ZINC001253194127 969108369 /nfs/dbraw/zinc/10/83/69/969108369.db2.gz JMCLDAHWNYUONE-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208185179 969118583 /nfs/dbraw/zinc/11/85/83/969118583.db2.gz VVLCGYZTEFZLGH-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001324488101 969139038 /nfs/dbraw/zinc/13/90/38/969139038.db2.gz LVANWJAGQXHFEH-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC001208592079 969148857 /nfs/dbraw/zinc/14/88/57/969148857.db2.gz CWUPIZJQWNJGQS-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](CCOC)C[C@H]1CCC[N@H+](C)C1 ZINC001208603876 969152754 /nfs/dbraw/zinc/15/27/54/969152754.db2.gz HTQCWQBGGWCIPF-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CC[NH+](CCOC)C[C@H]1CCC[N@@H+](C)C1 ZINC001208603876 969152763 /nfs/dbraw/zinc/15/27/63/969152763.db2.gz HTQCWQBGGWCIPF-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CC[N@@H+](CCOC)C[C@H]1CCC[NH+](C)C1 ZINC001208603876 969152745 /nfs/dbraw/zinc/15/27/45/969152745.db2.gz HTQCWQBGGWCIPF-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2(CC2)C1 ZINC001253396330 969154060 /nfs/dbraw/zinc/15/40/60/969154060.db2.gz WVOXIXIBUKIOND-NWDGAFQWSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC001208602809 969156336 /nfs/dbraw/zinc/15/63/36/969156336.db2.gz OATBUKOJLKKLPI-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CC[C@@]1(C)O ZINC001208606500 969158677 /nfs/dbraw/zinc/15/86/77/969158677.db2.gz HDAPWXVGCMFYGD-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CC[C@@]1(C)O ZINC001208606500 969158682 /nfs/dbraw/zinc/15/86/82/969158682.db2.gz HDAPWXVGCMFYGD-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CC[C@@]1(C)O ZINC001208606500 969158688 /nfs/dbraw/zinc/15/86/88/969158688.db2.gz HDAPWXVGCMFYGD-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208615214 969170797 /nfs/dbraw/zinc/17/07/97/969170797.db2.gz SMRSZLNZFAUNQK-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)O[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208615214 969170801 /nfs/dbraw/zinc/17/08/01/969170801.db2.gz SMRSZLNZFAUNQK-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)O[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208615214 969170808 /nfs/dbraw/zinc/17/08/08/969170808.db2.gz SMRSZLNZFAUNQK-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H](C)C1C[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208616569 969173326 /nfs/dbraw/zinc/17/33/26/969173326.db2.gz KFVSRPZORIOAKR-RYUDHWBXSA-N 2 1 226.364 1.295 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001208618555 969177478 /nfs/dbraw/zinc/17/74/78/969177478.db2.gz YVAHYIDHOICZSL-VOAKCMCISA-N 2 1 226.339 1.761 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001208618555 969177482 /nfs/dbraw/zinc/17/74/82/969177482.db2.gz YVAHYIDHOICZSL-VOAKCMCISA-N 2 1 226.339 1.761 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001208618555 969177484 /nfs/dbraw/zinc/17/74/84/969177484.db2.gz YVAHYIDHOICZSL-VOAKCMCISA-N 2 1 226.339 1.761 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001208618555 969177489 /nfs/dbraw/zinc/17/74/89/969177489.db2.gz YVAHYIDHOICZSL-VOAKCMCISA-N 2 1 226.339 1.761 20 0 BDADMP CN(C)c1cc[nH+]cc1NC1=CC[N@@H+](C)CC1 ZINC001208741352 969225618 /nfs/dbraw/zinc/22/56/18/969225618.db2.gz HVBPEXFFJMWXES-UHFFFAOYSA-N 2 1 232.331 1.779 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2c[nH]cn2)CCC[C@@H]1C[NH3+] ZINC001205996055 969296522 /nfs/dbraw/zinc/29/65/22/969296522.db2.gz UIIZMODHSHFHSR-GHMZBOCLSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cnc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205996055 969296531 /nfs/dbraw/zinc/29/65/31/969296531.db2.gz UIIZMODHSHFHSR-GHMZBOCLSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205996055 969296542 /nfs/dbraw/zinc/29/65/42/969296542.db2.gz UIIZMODHSHFHSR-GHMZBOCLSA-N 2 1 222.336 1.217 20 0 BDADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC001331900113 969307660 /nfs/dbraw/zinc/30/76/60/969307660.db2.gz CADCJDCVMQNIOC-UTUOFQBUSA-N 2 1 238.379 1.241 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096156 969382803 /nfs/dbraw/zinc/38/28/03/969382803.db2.gz VAEVIKBARYCQOI-ZDEQEGDKSA-N 2 1 225.380 1.151 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CSC1)C2 ZINC001169098923 969388668 /nfs/dbraw/zinc/38/86/68/969388668.db2.gz MLNRHAPGWJMGHG-CNDDSTCGSA-N 2 1 226.389 1.564 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](C)CC1)C2 ZINC001169077846 969398957 /nfs/dbraw/zinc/39/89/57/969398957.db2.gz AHECJUAQIHJTQC-ZSOGYDGISA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169077846 969398963 /nfs/dbraw/zinc/39/89/63/969398963.db2.gz AHECJUAQIHJTQC-ZSOGYDGISA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169077846 969398975 /nfs/dbraw/zinc/39/89/75/969398975.db2.gz AHECJUAQIHJTQC-ZSOGYDGISA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C)c1 ZINC001169102169 969399305 /nfs/dbraw/zinc/39/93/05/969399305.db2.gz XVCQUAMHFIVXPF-RUZUBIRVSA-N 2 1 248.374 1.696 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC001169102169 969399315 /nfs/dbraw/zinc/39/93/15/969399315.db2.gz XVCQUAMHFIVXPF-RUZUBIRVSA-N 2 1 248.374 1.696 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC(F)(F)C1)C2 ZINC001169078421 969400498 /nfs/dbraw/zinc/40/04/98/969400498.db2.gz FIXLKKMHSBBDID-GUDFOSOFSA-N 2 1 230.302 1.999 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CO)CCCC1)C2 ZINC001169092129 969406209 /nfs/dbraw/zinc/40/62/09/969406209.db2.gz YCGSWDHXUMNEQL-XYYAHUGASA-N 2 1 238.375 1.506 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)C2 ZINC001169090888 969408192 /nfs/dbraw/zinc/40/81/92/969408192.db2.gz NGGJODPQQHRGRN-ITGHMWBKSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]([NH3+])C1)C2 ZINC001169089795 969408428 /nfs/dbraw/zinc/40/84/28/969408428.db2.gz FYOPECNOSNSLMZ-NDBYEHHHSA-N 2 1 223.364 1.035 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001169117357 969414946 /nfs/dbraw/zinc/41/49/46/969414946.db2.gz ZBTCGFHPWPIASL-ITGHMWBKSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1COCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124206 969420989 /nfs/dbraw/zinc/42/09/89/969420989.db2.gz ASGGRXGJFFICMH-MQYQWHSLSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@H]1COCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124206 969420996 /nfs/dbraw/zinc/42/09/96/969420996.db2.gz ASGGRXGJFFICMH-MQYQWHSLSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@H]1COCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124206 969421006 /nfs/dbraw/zinc/42/10/06/969421006.db2.gz ASGGRXGJFFICMH-MQYQWHSLSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@]1(C)CCCOC1)C2 ZINC001169125349 969423106 /nfs/dbraw/zinc/42/31/06/969423106.db2.gz ZPFUFTYUWFWXHA-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125445 969424270 /nfs/dbraw/zinc/42/42/70/969424270.db2.gz IPKBERFUHPEWEF-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125445 969424274 /nfs/dbraw/zinc/42/42/74/969424274.db2.gz IPKBERFUHPEWEF-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125445 969424278 /nfs/dbraw/zinc/42/42/78/969424278.db2.gz IPKBERFUHPEWEF-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(C3COC3)C1)C2 ZINC001169125769 969425366 /nfs/dbraw/zinc/42/53/66/969425366.db2.gz LABXZQLDTSIMMK-BTTYYORXSA-N 2 1 236.359 1.190 20 0 BDADMP C[NH+](C)[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125483 969425519 /nfs/dbraw/zinc/42/55/19/969425519.db2.gz IVGKFUDIAMGXFF-CRWXNKLISA-N 2 1 237.391 1.248 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(COC3)C1)C2 ZINC001169131669 969439657 /nfs/dbraw/zinc/43/96/57/969439657.db2.gz XOHNVLJOBATELO-ITGUQSILSA-N 2 1 236.359 1.334 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC3(COC3)C1)C2 ZINC001169131669 969439663 /nfs/dbraw/zinc/43/96/63/969439663.db2.gz XOHNVLJOBATELO-ITGUQSILSA-N 2 1 236.359 1.334 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC3(COC3)C1)C2 ZINC001169131669 969439672 /nfs/dbraw/zinc/43/96/72/969439672.db2.gz XOHNVLJOBATELO-ITGUQSILSA-N 2 1 236.359 1.334 20 0 BDADMP COC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109044 969444216 /nfs/dbraw/zinc/44/42/16/969444216.db2.gz HBRKLHSCNUHNKV-FIQHERPVSA-N 2 1 240.347 1.153 20 0 BDADMP CC(C)[N@H+](CCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139414 969448340 /nfs/dbraw/zinc/44/83/40/969448340.db2.gz BXTHOBPLALBGLF-BTTYYORXSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[N@@H+](CCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139414 969448345 /nfs/dbraw/zinc/44/83/45/969448345.db2.gz BXTHOBPLALBGLF-BTTYYORXSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](CCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139414 969448351 /nfs/dbraw/zinc/44/83/51/969448351.db2.gz BXTHOBPLALBGLF-BTTYYORXSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](CCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139414 969448357 /nfs/dbraw/zinc/44/83/57/969448357.db2.gz BXTHOBPLALBGLF-BTTYYORXSA-N 2 1 240.391 1.704 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1[C@@H]3CC[C@H]1C[NH+](C)C3)C2 ZINC001169143332 969459818 /nfs/dbraw/zinc/45/98/18/969459818.db2.gz ZVYRJZMSIMIXCI-SBAKFKMJSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1[C@@H]3CC[C@H]1C[N@@H+](C)C3)C2 ZINC001169143332 969459824 /nfs/dbraw/zinc/45/98/24/969459824.db2.gz ZVYRJZMSIMIXCI-SBAKFKMJSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1[C@@H]3CC[C@H]1C[N@H+](C)C3)C2 ZINC001169143332 969459836 /nfs/dbraw/zinc/45/98/36/969459836.db2.gz ZVYRJZMSIMIXCI-SBAKFKMJSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143332 969459861 /nfs/dbraw/zinc/45/98/61/969459861.db2.gz ZVYRJZMSIMIXCI-SBAKFKMJSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143332 969459874 /nfs/dbraw/zinc/45/98/74/969459874.db2.gz ZVYRJZMSIMIXCI-SBAKFKMJSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143332 969459877 /nfs/dbraw/zinc/45/98/77/969459877.db2.gz ZVYRJZMSIMIXCI-SBAKFKMJSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143332 969459886 /nfs/dbraw/zinc/45/98/86/969459886.db2.gz ZVYRJZMSIMIXCI-SBAKFKMJSA-N 2 1 249.402 1.390 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CCC1CC3)C2 ZINC001169147013 969461658 /nfs/dbraw/zinc/46/16/58/969461658.db2.gz REIPSRQQEKWZAH-QDMKHBRRSA-N 2 1 249.402 1.392 20 0 BDADMP C[N@@H+](CC1(C)COC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142872 969468576 /nfs/dbraw/zinc/46/85/76/969468576.db2.gz WZJRGODHESDCBB-ITGUQSILSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](CC1(C)COC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142872 969468584 /nfs/dbraw/zinc/46/85/84/969468584.db2.gz WZJRGODHESDCBB-ITGUQSILSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](CC1(C)COC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142872 969468589 /nfs/dbraw/zinc/46/85/89/969468589.db2.gz WZJRGODHESDCBB-ITGUQSILSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(CSC3)C1)C2 ZINC001169154244 969470544 /nfs/dbraw/zinc/47/05/44/969470544.db2.gz OYHCFXLPIJORKZ-GDNZZTSVSA-N 2 1 238.400 1.660 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(CSC3)C1)C2 ZINC001169154244 969470553 /nfs/dbraw/zinc/47/05/53/969470553.db2.gz OYHCFXLPIJORKZ-GDNZZTSVSA-N 2 1 238.400 1.660 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](OC)C2)CC1 ZINC001169246007 969534739 /nfs/dbraw/zinc/53/47/39/969534739.db2.gz LPWIWMKVUJOVPU-LBPRGKRZSA-N 2 1 212.337 1.191 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](OC)C2)CC1 ZINC001169246007 969534747 /nfs/dbraw/zinc/53/47/47/969534747.db2.gz LPWIWMKVUJOVPU-LBPRGKRZSA-N 2 1 212.337 1.191 20 0 BDADMP CCN1CCC([N@H+]2CC[C@@H](C)[C@@H](O)CC2)CC1 ZINC001169246064 969535041 /nfs/dbraw/zinc/53/50/41/969535041.db2.gz NVYRVCUPNMOHCE-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@@H](O)CC2)CC1 ZINC001169246064 969535047 /nfs/dbraw/zinc/53/50/47/969535047.db2.gz NVYRVCUPNMOHCE-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@@H](O)CC2)CC1 ZINC001169246064 969535053 /nfs/dbraw/zinc/53/50/53/969535053.db2.gz NVYRVCUPNMOHCE-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CCN1CCC([N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001169246258 969535186 /nfs/dbraw/zinc/53/51/86/969535186.db2.gz QZYOFMQLFKEHRA-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@](C)(CO)C2)CC1 ZINC001169246258 969535189 /nfs/dbraw/zinc/53/51/89/969535189.db2.gz QZYOFMQLFKEHRA-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001169246258 969535192 /nfs/dbraw/zinc/53/51/92/969535192.db2.gz QZYOFMQLFKEHRA-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CC1(C)C[N@H+](Cc2c[nH+]ccc2N)[C@@](C)(CO)C1 ZINC001209728426 969579211 /nfs/dbraw/zinc/57/92/11/969579211.db2.gz FANWIIUEAWJWBR-CQSZACIVSA-N 2 1 249.358 1.477 20 0 BDADMP CC1(C)C[N@@H+](Cc2c[nH+]ccc2N)[C@@](C)(CO)C1 ZINC001209728426 969579219 /nfs/dbraw/zinc/57/92/19/969579219.db2.gz FANWIIUEAWJWBR-CQSZACIVSA-N 2 1 249.358 1.477 20 0 BDADMP COC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209726632 969582856 /nfs/dbraw/zinc/58/28/56/969582856.db2.gz HWUAWEYKMUKQEU-UHFFFAOYSA-N 2 1 221.304 1.105 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001209729664 969584852 /nfs/dbraw/zinc/58/48/52/969584852.db2.gz QPOHQTKHBMWDPP-AWEZNQCLSA-N 2 1 247.342 1.639 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001209729664 969584862 /nfs/dbraw/zinc/58/48/62/969584862.db2.gz QPOHQTKHBMWDPP-AWEZNQCLSA-N 2 1 247.342 1.639 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001209730539 969586742 /nfs/dbraw/zinc/58/67/42/969586742.db2.gz WONPGWDVRDJHEJ-ZDUSSCGKSA-N 2 1 233.315 1.107 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001209730539 969586749 /nfs/dbraw/zinc/58/67/49/969586749.db2.gz WONPGWDVRDJHEJ-ZDUSSCGKSA-N 2 1 233.315 1.107 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]C2(CF)CC2)CC1 ZINC001254498343 969660526 /nfs/dbraw/zinc/66/05/26/969660526.db2.gz WCMZBHKOMDFHPX-JTQLQIEISA-N 2 1 200.301 1.562 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2(CF)CC2)CC1 ZINC001254498343 969660531 /nfs/dbraw/zinc/66/05/31/969660531.db2.gz WCMZBHKOMDFHPX-JTQLQIEISA-N 2 1 200.301 1.562 20 0 BDADMP CCC[N@@H+](CCC[NH3+])C1CCN(C(C)=O)CC1 ZINC001254413994 969610775 /nfs/dbraw/zinc/61/07/75/969610775.db2.gz LFESMMJGZCDIQS-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H]([NH3+])c1nccn1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254498390 969658530 /nfs/dbraw/zinc/65/85/30/969658530.db2.gz YKUDECFVGPDMFU-GHMZBOCLSA-N 2 1 222.336 1.560 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[NH+](C)CC1 ZINC001254499971 969660469 /nfs/dbraw/zinc/66/04/69/969660469.db2.gz QTKGHTAOSPADGN-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CCC[N@H+](C)CC1 ZINC001254499971 969660474 /nfs/dbraw/zinc/66/04/74/969660474.db2.gz QTKGHTAOSPADGN-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CCC[N@@H+](C)CC1 ZINC001254499971 969660480 /nfs/dbraw/zinc/66/04/80/969660480.db2.gz QTKGHTAOSPADGN-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CC1 ZINC001254504849 969673652 /nfs/dbraw/zinc/67/36/52/969673652.db2.gz XTJKKFRZIZEYMB-SRVKXCTJSA-N 2 1 214.328 1.808 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@](C)(CO)C2)CC1 ZINC001254515977 969684404 /nfs/dbraw/zinc/68/44/04/969684404.db2.gz IADOJILSEQSBCR-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@](C)(CO)C2)CC1 ZINC001254515977 969684407 /nfs/dbraw/zinc/68/44/07/969684407.db2.gz IADOJILSEQSBCR-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001254515977 969684408 /nfs/dbraw/zinc/68/44/08/969684408.db2.gz IADOJILSEQSBCR-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@]2(C)CCCOC2)CC1 ZINC001254514532 969685425 /nfs/dbraw/zinc/68/54/25/969685425.db2.gz MCBIJFVSBLLFCD-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP COCC[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254516018 969687521 /nfs/dbraw/zinc/68/75/21/969687521.db2.gz IPQRNODWMGWVGF-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP COCC[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254516018 969687527 /nfs/dbraw/zinc/68/75/27/969687527.db2.gz IPQRNODWMGWVGF-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP COCC[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516018 969687533 /nfs/dbraw/zinc/68/75/33/969687533.db2.gz IPQRNODWMGWVGF-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)C[C@H](C)O1 ZINC001254516304 969692145 /nfs/dbraw/zinc/69/21/45/969692145.db2.gz LSMRUYUEHYVELG-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)C[C@H](C)O1 ZINC001254516304 969692155 /nfs/dbraw/zinc/69/21/55/969692155.db2.gz LSMRUYUEHYVELG-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@H](C)O1 ZINC001254516304 969692166 /nfs/dbraw/zinc/69/21/66/969692166.db2.gz LSMRUYUEHYVELG-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@H](C)O1 ZINC001254516304 969692172 /nfs/dbraw/zinc/69/21/72/969692172.db2.gz LSMRUYUEHYVELG-FRRDWIJNSA-N 2 1 226.364 1.580 20 0 BDADMP C[N@@H+]([C@H]1CCOC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522047 969710622 /nfs/dbraw/zinc/71/06/22/969710622.db2.gz BCOUGOBFKZCYOA-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]([C@H]1CCOC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522047 969710630 /nfs/dbraw/zinc/71/06/30/969710630.db2.gz BCOUGOBFKZCYOA-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]([C@H]1CCOC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522047 969710637 /nfs/dbraw/zinc/71/06/37/969710637.db2.gz BCOUGOBFKZCYOA-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CC(c3cccnc3)C2)CC1 ZINC001254526637 969723235 /nfs/dbraw/zinc/72/32/35/969723235.db2.gz SGVWKNROWDYGRZ-OAHLLOKOSA-N 2 1 245.370 1.965 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC(c3cccnc3)C2)CC1 ZINC001254526637 969723240 /nfs/dbraw/zinc/72/32/40/969723240.db2.gz SGVWKNROWDYGRZ-OAHLLOKOSA-N 2 1 245.370 1.965 20 0 BDADMP CC(=O)[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532139 969732367 /nfs/dbraw/zinc/73/23/67/969732367.db2.gz QBXWHGFWKAMUGI-CHWSQXEVSA-N 2 1 224.348 1.382 20 0 BDADMP CN1CC2(C1)CC[N@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254529222 969733281 /nfs/dbraw/zinc/73/32/81/969733281.db2.gz LHCHNDQFYXQBPI-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP CN1CC2(C1)CC[NH+]([C@H]1CCC[N@H+](C)CC1)C2 ZINC001254529222 969733288 /nfs/dbraw/zinc/73/32/88/969733288.db2.gz LHCHNDQFYXQBPI-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP CN1CC2(C1)CC[NH+]([C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254529222 969733295 /nfs/dbraw/zinc/73/32/95/969733295.db2.gz LHCHNDQFYXQBPI-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCc3cccnc3C2)CC1 ZINC001254530425 969734205 /nfs/dbraw/zinc/73/42/05/969734205.db2.gz XVORNNKWFUNDNJ-CQSZACIVSA-N 2 1 245.370 1.924 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCc3cccnc3C2)CC1 ZINC001254530425 969734212 /nfs/dbraw/zinc/73/42/12/969734212.db2.gz XVORNNKWFUNDNJ-CQSZACIVSA-N 2 1 245.370 1.924 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCc3cccnc3C2)CC1 ZINC001254530425 969734218 /nfs/dbraw/zinc/73/42/18/969734218.db2.gz XVORNNKWFUNDNJ-CQSZACIVSA-N 2 1 245.370 1.924 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCc3cccnc3C2)CC1 ZINC001254530425 969734223 /nfs/dbraw/zinc/73/42/23/969734223.db2.gz XVORNNKWFUNDNJ-CQSZACIVSA-N 2 1 245.370 1.924 20 0 BDADMP Cn1ccc2c[nH+]c(NCC[C@H]3CCC[NH2+]3)nc21 ZINC001169558430 969755378 /nfs/dbraw/zinc/75/53/78/969755378.db2.gz CCNRFRUPSREPJC-LLVKDONJSA-N 2 1 245.330 1.522 20 0 BDADMP Nc1[nH]c2cc(-n3ccc(C[NH3+])c3)ccc2[nH+]1 ZINC001169726598 969819641 /nfs/dbraw/zinc/81/96/41/969819641.db2.gz VOYCPSPPUIMNAY-UHFFFAOYSA-N 2 1 227.271 1.395 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1-n1ccc(C[NH3+])c1 ZINC001169726583 969820232 /nfs/dbraw/zinc/82/02/32/969820232.db2.gz ZIYUNLOHZSGHNH-UHFFFAOYSA-N 2 1 230.315 1.705 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254921671 969821234 /nfs/dbraw/zinc/82/12/34/969821234.db2.gz FGUXLXSOQWHDNP-GHMZBOCLSA-N 2 1 247.342 1.623 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2cc(C[NH3+])ncn2)C1 ZINC001156377808 969849302 /nfs/dbraw/zinc/84/93/02/969849302.db2.gz GLDORJMRMMBXAI-LLVKDONJSA-N 2 1 249.362 1.079 20 0 BDADMP C[NH2+][C@@H]1CCN1c1cc(N2CCCC2)cc[nH+]1 ZINC001156657410 969969849 /nfs/dbraw/zinc/96/98/49/969969849.db2.gz BDMJRIXVLZFHLO-LBPRGKRZSA-N 2 1 232.331 1.437 20 0 BDADMP C[NH2+][C@H]1CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001156660423 969974093 /nfs/dbraw/zinc/97/40/93/969974093.db2.gz RYAPEPKXMIRPFM-CYBMUJFWSA-N 2 1 246.358 1.433 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2CCCOC2)C[C@H]1[NH3+] ZINC000690393444 970035263 /nfs/dbraw/zinc/03/52/63/970035263.db2.gz YVGKRAGYQRZWBB-WDEREUQCSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1[NH3+] ZINC000690393444 970035271 /nfs/dbraw/zinc/03/52/71/970035271.db2.gz YVGKRAGYQRZWBB-WDEREUQCSA-N 2 1 212.337 1.082 20 0 BDADMP CCCC[C@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001255321108 970092020 /nfs/dbraw/zinc/09/20/20/970092020.db2.gz XVFZTUFXIRCFLE-AWEZNQCLSA-N 2 1 241.423 1.922 20 0 BDADMP Cc1ccc(N(C)C(C)(C)C[NH3+])[nH+]c1N ZINC001170053755 970094209 /nfs/dbraw/zinc/09/42/09/970094209.db2.gz ZVYLAMSNLZGLOI-UHFFFAOYSA-N 2 1 208.309 1.146 20 0 BDADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC001255417727 970139278 /nfs/dbraw/zinc/13/92/78/970139278.db2.gz OOLREYJBMVFDBZ-ZDUSSCGKSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC001255417727 970139286 /nfs/dbraw/zinc/13/92/86/970139286.db2.gz OOLREYJBMVFDBZ-ZDUSSCGKSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CC[C@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001255419454 970141642 /nfs/dbraw/zinc/14/16/42/970141642.db2.gz CGUBZZCDTUGBBI-LBPRGKRZSA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@@H](N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001255422032 970146391 /nfs/dbraw/zinc/14/63/91/970146391.db2.gz NBFPNWHQLPXNHV-CYBMUJFWSA-N 2 1 237.322 1.295 20 0 BDADMP CC(C)[N@@H+]([C@H]1CCN(C)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255422636 970146484 /nfs/dbraw/zinc/14/64/84/970146484.db2.gz PFWDVBWMQUHNSG-IHRRRGAJSA-N 2 1 239.407 1.671 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001255422760 970147089 /nfs/dbraw/zinc/14/70/89/970147089.db2.gz PZWMNVAHBDSPOC-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001255422760 970147091 /nfs/dbraw/zinc/14/70/91/970147091.db2.gz PZWMNVAHBDSPOC-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001255422760 970147094 /nfs/dbraw/zinc/14/70/94/970147094.db2.gz PZWMNVAHBDSPOC-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001255422760 970147096 /nfs/dbraw/zinc/14/70/96/970147096.db2.gz PZWMNVAHBDSPOC-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CC[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001255425697 970150078 /nfs/dbraw/zinc/15/00/78/970150078.db2.gz IQRLEZJYUMEBCZ-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001255472330 970200912 /nfs/dbraw/zinc/20/09/12/970200912.db2.gz UGGLZQBWUWDNFR-GXTWGEPZSA-N 2 1 245.370 1.991 20 0 BDADMP C[N@H+]1CCC[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001255472855 970203310 /nfs/dbraw/zinc/20/33/10/970203310.db2.gz JFJIZMIDJQGHOM-QWHCGFSZSA-N 2 1 245.370 1.643 20 0 BDADMP C[N@H+]1CCC[C@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001255472856 970204679 /nfs/dbraw/zinc/20/46/79/970204679.db2.gz JFJIZMIDJQGHOM-STQMWFEESA-N 2 1 245.370 1.643 20 0 BDADMP CCCc1cc(C[NH3+])nn1[C@@H]1CCC[N@@H+](C)C1 ZINC001255475531 970206425 /nfs/dbraw/zinc/20/64/25/970206425.db2.gz RFJKNZCAWIWEHZ-CYBMUJFWSA-N 2 1 236.363 1.561 20 0 BDADMP C[NH+](C)C1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001255480145 970218093 /nfs/dbraw/zinc/21/80/93/970218093.db2.gz BHJZWWCKZPLGIC-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001255494490 970252060 /nfs/dbraw/zinc/25/20/60/970252060.db2.gz HEGZHKYFFHYEGA-LBPRGKRZSA-N 2 1 219.332 1.401 20 0 BDADMP CCCN(CCC[NH+](C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC001255494588 970259275 /nfs/dbraw/zinc/25/92/75/970259275.db2.gz IZHYHFDBGKKZHL-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP COC[C@@H](C)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001255582748 970389594 /nfs/dbraw/zinc/38/95/94/970389594.db2.gz ZBHPMKNTYUAKMK-LLVKDONJSA-N 2 1 226.364 1.580 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001255582748 970389603 /nfs/dbraw/zinc/38/96/03/970389603.db2.gz ZBHPMKNTYUAKMK-LLVKDONJSA-N 2 1 226.364 1.580 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001255582748 970389612 /nfs/dbraw/zinc/38/96/12/970389612.db2.gz ZBHPMKNTYUAKMK-LLVKDONJSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001170147740 970440513 /nfs/dbraw/zinc/44/05/13/970440513.db2.gz FFXNSMWFIRYZNB-NDBYEHHHSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001170147740 970440505 /nfs/dbraw/zinc/44/05/05/970440505.db2.gz FFXNSMWFIRYZNB-NDBYEHHHSA-N 2 1 208.349 1.668 20 0 BDADMP CCc1nc(N2C[C@H](C[NH3+])CC[C@@H]2C)cc(C)[nH+]1 ZINC000302537367 970442885 /nfs/dbraw/zinc/44/28/85/970442885.db2.gz SLSCWIMSPDBYLY-RYUDHWBXSA-N 2 1 248.374 1.911 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255667087 970449059 /nfs/dbraw/zinc/44/90/59/970449059.db2.gz BFQQHDWOFMKXMW-BZGXSOKISA-N 2 1 238.375 1.769 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255667087 970449061 /nfs/dbraw/zinc/44/90/61/970449061.db2.gz BFQQHDWOFMKXMW-BZGXSOKISA-N 2 1 238.375 1.769 20 0 BDADMP CO[C@H]1CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255674334 970450041 /nfs/dbraw/zinc/45/00/41/970450041.db2.gz QBYHINBYAJUVRK-PIGZVRMJSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255674334 970450047 /nfs/dbraw/zinc/45/00/47/970450047.db2.gz QBYHINBYAJUVRK-PIGZVRMJSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255674334 970450053 /nfs/dbraw/zinc/45/00/53/970450053.db2.gz QBYHINBYAJUVRK-PIGZVRMJSA-N 2 1 238.375 1.722 20 0 BDADMP Cc1nnc(C[NH3+])n1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255677022 970452348 /nfs/dbraw/zinc/45/23/48/970452348.db2.gz QZCVWSLXYGDZTL-FOSCPWQOSA-N 2 1 249.362 1.233 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690417073 970514898 /nfs/dbraw/zinc/51/48/98/970514898.db2.gz VVBGFWPGUSSILF-STQMWFEESA-N 2 1 226.364 1.474 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400011738 970541594 /nfs/dbraw/zinc/54/15/94/970541594.db2.gz WMEUZJKMIKWSAO-ZIAGYGMSSA-N 2 1 238.375 1.175 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001255943840 970575410 /nfs/dbraw/zinc/57/54/10/970575410.db2.gz QDCOEIRBFYMMIG-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP CCCC[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170221978 970589229 /nfs/dbraw/zinc/58/92/29/970589229.db2.gz GSYLIHCWCLVBOU-UHFFFAOYSA-N 2 1 243.395 1.224 20 0 BDADMP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC001256068097 970636612 /nfs/dbraw/zinc/63/66/12/970636612.db2.gz UNVVLPMJIMKUAA-ZDUSSCGKSA-N 2 1 238.375 1.770 20 0 BDADMP COCC[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256072351 970640193 /nfs/dbraw/zinc/64/01/93/970640193.db2.gz CHGUPLQPCKADRE-UHFFFAOYSA-N 2 1 212.337 1.191 20 0 BDADMP COCC[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256072351 970640200 /nfs/dbraw/zinc/64/02/00/970640200.db2.gz CHGUPLQPCKADRE-UHFFFAOYSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CC(CNc2[nH+]ccc3cc[nH]c32)C1 ZINC001170256133 970641038 /nfs/dbraw/zinc/64/10/38/970641038.db2.gz FKXAHKZZOKRZEJ-UHFFFAOYSA-N 2 1 216.288 1.536 20 0 BDADMP CCOC(=O)CCCC[NH2+]C1CC[NH+](C)CC1 ZINC001256195115 970688143 /nfs/dbraw/zinc/68/81/43/970688143.db2.gz AFRTWHATJMCQCA-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP COc1ccc(CC[NH2+]C2CC[NH+](C)CC2)nc1 ZINC001256198050 970691054 /nfs/dbraw/zinc/69/10/54/970691054.db2.gz ZVMINKNBIBJHNK-UHFFFAOYSA-N 2 1 249.358 1.317 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(c3cnccn3)CC2)CC1 ZINC001256198914 970696114 /nfs/dbraw/zinc/69/61/14/970696114.db2.gz CLSXUUSXCBNWNN-UHFFFAOYSA-N 2 1 246.358 1.192 20 0 BDADMP C[NH+]1CCC([NH+]2CCC(C)(F)CC2)CC1 ZINC001256203433 970699512 /nfs/dbraw/zinc/69/95/12/970699512.db2.gz XRBDFWUORLNHOJ-UHFFFAOYSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCCC[C@@](O)(CF)C2)CC1 ZINC001256202935 970701383 /nfs/dbraw/zinc/70/13/83/970701383.db2.gz NSYAURZWNBRQFG-CYBMUJFWSA-N 2 1 244.354 1.267 20 0 BDADMP C[NH+]1CCC([N@H+]2CCCC[C@@](O)(CF)C2)CC1 ZINC001256202935 970701397 /nfs/dbraw/zinc/70/13/97/970701397.db2.gz NSYAURZWNBRQFG-CYBMUJFWSA-N 2 1 244.354 1.267 20 0 BDADMP C[C@@H]1C[N@@H+](C2CCN(C)CC2)C2(CC2)C1 ZINC001256211031 970716722 /nfs/dbraw/zinc/71/67/22/970716722.db2.gz QESLHZWKCSUGDA-NSHDSACASA-N 2 1 208.349 1.955 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401838314 970738405 /nfs/dbraw/zinc/73/84/05/970738405.db2.gz MKBXWCKNIQRAST-NWDGAFQWSA-N 2 1 223.320 1.120 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2cncc(O)c2)CC1 ZINC001222543178 972559568 /nfs/dbraw/zinc/55/95/68/972559568.db2.gz QJAKVDLLHFISKD-UHFFFAOYSA-N 2 1 239.294 1.050 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001246546476 972644865 /nfs/dbraw/zinc/64/48/65/972644865.db2.gz NAMDGSLLRGTCSN-RNJOBUHISA-N 2 1 226.364 1.756 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@](C)(O)C2)C[NH2+]1 ZINC001246545680 972651099 /nfs/dbraw/zinc/65/10/99/972651099.db2.gz CILHGTSPYLHCDM-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@](C)(O)C2)C[NH2+]1 ZINC001246545680 972651105 /nfs/dbraw/zinc/65/11/05/972651105.db2.gz CILHGTSPYLHCDM-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP [NH3+][C@@H](c1noc([C@@H]2C[C@@H]([NH3+])C2)n1)c1ccccc1 ZINC001327629949 972678297 /nfs/dbraw/zinc/67/82/97/972678297.db2.gz UHMDTUWQWIZUGZ-GMTAPVOTSA-N 2 1 244.298 1.322 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H]([NH3+])CC1)C2 ZINC001246550962 972726781 /nfs/dbraw/zinc/72/67/81/972726781.db2.gz ZMWNKTIDFVDZFG-IGQOVBAYSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]([NH3+])CC1)C2 ZINC001246550962 972726784 /nfs/dbraw/zinc/72/67/84/972726784.db2.gz ZMWNKTIDFVDZFG-IGQOVBAYSA-N 3 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]([NH3+])CC1)C2 ZINC001246550962 972726792 /nfs/dbraw/zinc/72/67/92/972726792.db2.gz ZMWNKTIDFVDZFG-IGQOVBAYSA-N 3 1 237.391 1.425 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]([NH3+])CC1)C2 ZINC001246550962 972726798 /nfs/dbraw/zinc/72/67/98/972726798.db2.gz ZMWNKTIDFVDZFG-IGQOVBAYSA-N 3 1 237.391 1.425 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]([NH3+])CC1)C2 ZINC001246550962 972726805 /nfs/dbraw/zinc/72/68/05/972726805.db2.gz ZMWNKTIDFVDZFG-IGQOVBAYSA-N 3 1 237.391 1.425 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553619 972745569 /nfs/dbraw/zinc/74/55/69/972745569.db2.gz BNEOQQJGGNXRRC-VWYCJHECSA-N 2 1 248.317 1.470 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556168 972758082 /nfs/dbraw/zinc/75/80/82/972758082.db2.gz YKIHAHFHOBAKJM-YNEHKIRRSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556168 972758093 /nfs/dbraw/zinc/75/80/93/972758093.db2.gz YKIHAHFHOBAKJM-YNEHKIRRSA-N 3 1 225.380 1.330 20 0 BDADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246560759 972794326 /nfs/dbraw/zinc/79/43/26/972794326.db2.gz SWQVAIVRGVJQGO-NWANDNLSSA-N 2 1 248.370 1.320 20 0 BDADMP C[C@H]1C[N@H+](C2CCN(C)CC2)CCC[C@H]1C[NH3+] ZINC001246569685 972822257 /nfs/dbraw/zinc/82/22/57/972822257.db2.gz RVCLFHKNEKGQDS-STQMWFEESA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@H]1C[NH3+] ZINC001246569685 972822264 /nfs/dbraw/zinc/82/22/64/972822264.db2.gz RVCLFHKNEKGQDS-STQMWFEESA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@H]1C[NH3+] ZINC001246569685 972822267 /nfs/dbraw/zinc/82/22/67/972822267.db2.gz RVCLFHKNEKGQDS-STQMWFEESA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](O)(CF)CC2)CC[NH2+]1 ZINC001246568172 972823286 /nfs/dbraw/zinc/82/32/86/972823286.db2.gz MDANXLFNXZTQNH-UPJWGTAASA-N 2 1 244.354 1.313 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2)CCC[C@H]1C[NH3+] ZINC001246569697 972823480 /nfs/dbraw/zinc/82/34/80/972823480.db2.gz RXMVFMXUZAWVDG-RDBSUJKOSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C[C@@H](C)O1 ZINC001246580791 972928079 /nfs/dbraw/zinc/92/80/79/972928079.db2.gz FBEWRSALWMDXAM-AAXDQBDMSA-N 2 1 244.354 1.704 20 0 BDADMP C[C@@H]1CC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C[C@@H](C)O1 ZINC001246580791 972928093 /nfs/dbraw/zinc/92/80/93/972928093.db2.gz FBEWRSALWMDXAM-AAXDQBDMSA-N 2 1 244.354 1.704 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@@H]1O ZINC001246581195 972940044 /nfs/dbraw/zinc/94/00/44/972940044.db2.gz YFNQYHPLOJOHJC-MWWBDVBNSA-N 2 1 238.375 1.362 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001246587354 972976390 /nfs/dbraw/zinc/97/63/90/972976390.db2.gz NZZHXYRLOVRLPJ-TYUFSLCMSA-N 2 1 243.370 1.278 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246587354 972976404 /nfs/dbraw/zinc/97/64/04/972976404.db2.gz NZZHXYRLOVRLPJ-TYUFSLCMSA-N 3 1 243.370 1.278 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246587354 972976419 /nfs/dbraw/zinc/97/64/19/972976419.db2.gz NZZHXYRLOVRLPJ-TYUFSLCMSA-N 3 1 243.370 1.278 20 0 BDADMP CC(C)CC[C@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246620844 973040765 /nfs/dbraw/zinc/04/07/65/973040765.db2.gz AUEIVGNWINIEKK-KBPBESRZSA-N 2 1 239.407 1.448 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246661832 973077378 /nfs/dbraw/zinc/07/73/78/973077378.db2.gz HAMCSUBNZRACDO-NIFZNCRKSA-N 3 1 249.402 1.473 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246661832 973077389 /nfs/dbraw/zinc/07/73/89/973077389.db2.gz HAMCSUBNZRACDO-NIFZNCRKSA-N 3 1 249.402 1.473 20 0 BDADMP C1C[C@@]2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)O1 ZINC001246828702 973121049 /nfs/dbraw/zinc/12/10/49/973121049.db2.gz FXKQSGACSLEXBX-QNMSZWNNSA-N 2 1 236.359 1.524 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@H](C)O1 ZINC001246858651 973172224 /nfs/dbraw/zinc/17/22/24/973172224.db2.gz GNHJFQYOKFZUQV-FPYNETTCSA-N 2 1 224.348 1.366 20 0 BDADMP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603287 973178350 /nfs/dbraw/zinc/17/83/50/973178350.db2.gz WOQIEYJWGLFCRQ-VXGBXAGGSA-N 2 1 243.395 1.219 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246863746 973189836 /nfs/dbraw/zinc/18/98/36/973189836.db2.gz LXSGXFWWTQZCIM-IHRRRGAJSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246863746 973189846 /nfs/dbraw/zinc/18/98/46/973189846.db2.gz LXSGXFWWTQZCIM-IHRRRGAJSA-N 3 1 239.407 1.304 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246910093 973433150 /nfs/dbraw/zinc/43/31/50/973433150.db2.gz JYHUGKYDTGTZHI-MGPQQGTHSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246980464 973721340 /nfs/dbraw/zinc/72/13/40/973721340.db2.gz IURSQQVKFRROBJ-JSGCOSHPSA-N 2 1 239.407 1.672 20 0 BDADMP C[C@@H](C[NH+](C)C)OC[C@@H]1CCCC[N@H+]1C ZINC001224701501 973867271 /nfs/dbraw/zinc/86/72/71/973867271.db2.gz GTLCFJMCRWBTCO-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP c1[nH+]c2c(cc1NC[C@@H]1CCCC[NH2+]1)CCCN2 ZINC001171339966 973892469 /nfs/dbraw/zinc/89/24/69/973892469.db2.gz OPMOSULIMFZGBL-LBPRGKRZSA-N 2 1 246.358 1.281 20 0 BDADMP C[N@H+]1CCC[C@@H](OCCC[NH+]2CCCCC2)C1 ZINC001224856173 974035046 /nfs/dbraw/zinc/03/50/46/974035046.db2.gz XYTXNVRHEVYQSL-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@@H]([NH3+])C1)C2 ZINC001171550863 974094257 /nfs/dbraw/zinc/09/42/57/974094257.db2.gz LXZYVJGGPBHNKG-ZIAGYGMSSA-N 2 1 230.355 1.885 20 0 BDADMP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@@H]([NH3+])C1)C2 ZINC001171550863 974094266 /nfs/dbraw/zinc/09/42/66/974094266.db2.gz LXZYVJGGPBHNKG-ZIAGYGMSSA-N 2 1 230.355 1.885 20 0 BDADMP CSCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153682 974221970 /nfs/dbraw/zinc/22/19/70/974221970.db2.gz DRISWVIAHPDWPF-VHSXEESVSA-N 2 1 220.357 1.501 20 0 BDADMP CSCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153682 974221984 /nfs/dbraw/zinc/22/19/84/974221984.db2.gz DRISWVIAHPDWPF-VHSXEESVSA-N 2 1 220.357 1.501 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCC2)CC[C@H]1F ZINC001206153107 974236819 /nfs/dbraw/zinc/23/68/19/974236819.db2.gz BVQHGBBRKDDUIB-GHMZBOCLSA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCC2)CC[C@H]1F ZINC001206153107 974236831 /nfs/dbraw/zinc/23/68/31/974236831.db2.gz BVQHGBBRKDDUIB-GHMZBOCLSA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC2CCOCC2)CC[C@H]1F ZINC001206156799 974334546 /nfs/dbraw/zinc/33/45/46/974334546.db2.gz SXFZZEBAXJZJAX-CHWSQXEVSA-N 2 1 244.354 1.564 20 0 BDADMP N[C@@H]1CC[N@@H+](CCC2CCOCC2)CC[C@H]1F ZINC001206156799 974334535 /nfs/dbraw/zinc/33/45/35/974334535.db2.gz SXFZZEBAXJZJAX-CHWSQXEVSA-N 2 1 244.354 1.564 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC2CCOCC2)CC[C@H]1F ZINC001206156799 974334555 /nfs/dbraw/zinc/33/45/55/974334555.db2.gz SXFZZEBAXJZJAX-CHWSQXEVSA-N 2 1 244.354 1.564 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100833 974345385 /nfs/dbraw/zinc/34/53/85/974345385.db2.gz SOSOXBWQRFRLGA-FQUUOJAGSA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100833 974345391 /nfs/dbraw/zinc/34/53/91/974345391.db2.gz SOSOXBWQRFRLGA-FQUUOJAGSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+]3CC[C@@H]3C1)C2 ZINC001172133621 974357718 /nfs/dbraw/zinc/35/77/18/974357718.db2.gz UAGREEMBGVHSPQ-LXTVHRRPSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@@H+]3CC[C@@H]3C1)C2 ZINC001172133621 974357727 /nfs/dbraw/zinc/35/77/27/974357727.db2.gz UAGREEMBGVHSPQ-LXTVHRRPSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@H+]3CC[C@@H]3C1)C2 ZINC001172133621 974357734 /nfs/dbraw/zinc/35/77/34/974357734.db2.gz UAGREEMBGVHSPQ-LXTVHRRPSA-N 2 1 249.402 1.392 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(O)CCC1)C2 ZINC001172104198 974365842 /nfs/dbraw/zinc/36/58/42/974365842.db2.gz ANQHXGNNQPZMFP-XYYAHUGASA-N 2 1 238.375 1.506 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[NH3+])C2 ZINC001172108218 974367906 /nfs/dbraw/zinc/36/79/06/974367906.db2.gz SGWAMEKZMRXKLF-XYYAHUGASA-N 3 1 225.380 1.330 20 0 BDADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[NH3+])C2 ZINC001172108218 974367916 /nfs/dbraw/zinc/36/79/16/974367916.db2.gz SGWAMEKZMRXKLF-XYYAHUGASA-N 2 1 225.380 1.330 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)C2 ZINC001172108006 974369543 /nfs/dbraw/zinc/36/95/43/974369543.db2.gz NKLGYSNDRFPFJO-ZAEXQNMVSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(C[NH3+])CC1)C2 ZINC001172110480 974377773 /nfs/dbraw/zinc/37/77/73/974377773.db2.gz NFMRPAYHOZOXOJ-CNDDSTCGSA-N 2 1 223.364 1.083 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)C1CC1)C2 ZINC001172119024 974378284 /nfs/dbraw/zinc/37/82/84/974378284.db2.gz VFCWHUSRWHPMCQ-CRWXNKLISA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)C1CC1)C2 ZINC001172119024 974378289 /nfs/dbraw/zinc/37/82/89/974378289.db2.gz VFCWHUSRWHPMCQ-CRWXNKLISA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](O)C1)C2 ZINC001172113549 974380590 /nfs/dbraw/zinc/38/05/90/974380590.db2.gz KFTJJBGTELYBOU-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](O)C1)C2 ZINC001172113549 974380595 /nfs/dbraw/zinc/38/05/95/974380595.db2.gz KFTJJBGTELYBOU-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](O)C1)C2 ZINC001172113549 974380607 /nfs/dbraw/zinc/38/06/07/974380607.db2.gz KFTJJBGTELYBOU-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CO)CCC1)C2 ZINC001172117398 974383008 /nfs/dbraw/zinc/38/30/08/974383008.db2.gz LKPBUTJHDATVTG-CLLJXQQHSA-N 2 1 238.375 1.506 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CO)CCC1)C2 ZINC001172117398 974383018 /nfs/dbraw/zinc/38/30/18/974383018.db2.gz LKPBUTJHDATVTG-CLLJXQQHSA-N 2 1 238.375 1.506 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121416 974390104 /nfs/dbraw/zinc/39/01/04/974390104.db2.gz QBYHINBYAJUVRK-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121416 974390114 /nfs/dbraw/zinc/39/01/14/974390114.db2.gz QBYHINBYAJUVRK-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121416 974390126 /nfs/dbraw/zinc/39/01/26/974390126.db2.gz QBYHINBYAJUVRK-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163907 974513864 /nfs/dbraw/zinc/51/38/64/974513864.db2.gz HQHNESMKHWZCQD-VXGBXAGGSA-N 2 1 240.326 1.288 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163907 974513871 /nfs/dbraw/zinc/51/38/71/974513871.db2.gz HQHNESMKHWZCQD-VXGBXAGGSA-N 2 1 240.326 1.288 20 0 BDADMP CC[NH+]1CC(Oc2ccc(CC(=[NH2+])NO)cc2)C1 ZINC001225544004 974548354 /nfs/dbraw/zinc/54/83/54/974548354.db2.gz NIOPEYDAWAEQNM-UHFFFAOYSA-N 2 1 249.314 1.268 20 0 BDADMP CC[N@H+](C)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172295922 974564294 /nfs/dbraw/zinc/56/42/94/974564294.db2.gz UHWKCGIHGHVCJU-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172295922 974564299 /nfs/dbraw/zinc/56/42/99/974564299.db2.gz UHWKCGIHGHVCJU-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP CCOCC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC001172409745 974671035 /nfs/dbraw/zinc/67/10/35/974671035.db2.gz YPJOUVOQVINCAY-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CCOCC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172409868 974671587 /nfs/dbraw/zinc/67/15/87/974671587.db2.gz ALKCRLYXKFYOHK-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CCOCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172410969 974675284 /nfs/dbraw/zinc/67/52/84/974675284.db2.gz MPRKSEMGIMEZJO-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCC[C@H]1CN ZINC001172412307 974678882 /nfs/dbraw/zinc/67/88/82/974678882.db2.gz SZSQMNMVIOHIAU-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172412307 974678889 /nfs/dbraw/zinc/67/88/89/974678889.db2.gz SZSQMNMVIOHIAU-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP Cc1nc(NCC[C@@H](C)[NH3+])cc(N(C)C)[nH+]1 ZINC000258670709 974900623 /nfs/dbraw/zinc/90/06/23/974900623.db2.gz HZNXNBGAZVMWNI-MRVPVSSYSA-N 2 1 223.324 1.000 20 0 BDADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]([NH3+])C1)CC2 ZINC001172825402 974948212 /nfs/dbraw/zinc/94/82/12/974948212.db2.gz GSRMXLWBIFGXHE-LSDHHAIUSA-N 2 1 230.355 1.885 20 0 BDADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]([NH3+])C1)CC2 ZINC001172825402 974948219 /nfs/dbraw/zinc/94/82/19/974948219.db2.gz GSRMXLWBIFGXHE-LSDHHAIUSA-N 2 1 230.355 1.885 20 0 BDADMP C[N@@H+](CCC[NH3+])CCc1ccc(F)cc1F ZINC000258863712 975046692 /nfs/dbraw/zinc/04/66/92/975046692.db2.gz YWQBLPPQFSWVKD-UHFFFAOYSA-N 2 1 228.286 1.788 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC[NH2+]C1 ZINC001332338379 975061940 /nfs/dbraw/zinc/06/19/40/975061940.db2.gz CURGSCINSVJWIA-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@H+]1CC[C@H](n2ccnc2[C@@H](C)[NH3+])C1 ZINC001173348206 975289394 /nfs/dbraw/zinc/28/93/94/975289394.db2.gz KTSHHOSKJYFGIZ-ZJUUUORDSA-N 2 1 208.309 1.170 20 0 BDADMP CC[N@H+]1CC[C@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001173353930 975306648 /nfs/dbraw/zinc/30/66/48/975306648.db2.gz SSMRDRRLHOVYCL-LBPRGKRZSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC001173362972 975341278 /nfs/dbraw/zinc/34/12/78/975341278.db2.gz KLSBEZLUVPXINK-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC3(C[NH+](C)C3)CC2)C1 ZINC001173367366 975349396 /nfs/dbraw/zinc/34/93/96/975349396.db2.gz GWIZTZAURKNSTA-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001173367147 975350317 /nfs/dbraw/zinc/35/03/17/975350317.db2.gz GCHBVTGWINRKIO-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001173367147 975350321 /nfs/dbraw/zinc/35/03/21/975350321.db2.gz GCHBVTGWINRKIO-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001173367147 975350325 /nfs/dbraw/zinc/35/03/25/975350325.db2.gz GCHBVTGWINRKIO-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001173369417 975352017 /nfs/dbraw/zinc/35/20/17/975352017.db2.gz VUBCNKSAHWTDPH-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001173369417 975352024 /nfs/dbraw/zinc/35/20/24/975352024.db2.gz VUBCNKSAHWTDPH-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001173369417 975352032 /nfs/dbraw/zinc/35/20/32/975352032.db2.gz VUBCNKSAHWTDPH-RDBSUJKOSA-N 2 1 237.391 1.249 20 0 BDADMP CNc1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)nc[nH+]1 ZINC001333657804 975941661 /nfs/dbraw/zinc/94/16/61/975941661.db2.gz JBYPIBFFEYCARM-MNOVXSKESA-N 2 1 249.362 1.803 20 0 BDADMP C[N@H+]1CC[C@@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228936989 976590662 /nfs/dbraw/zinc/59/06/62/976590662.db2.gz RZSCRENIEYNHFQ-OAHLLOKOSA-N 2 1 246.354 1.757 20 0 BDADMP C[NH+]1CC[C@@H](Oc2ccc3c(c2)CC[N@@H+](C)C3)C1 ZINC001228936989 976590670 /nfs/dbraw/zinc/59/06/70/976590670.db2.gz RZSCRENIEYNHFQ-OAHLLOKOSA-N 2 1 246.354 1.757 20 0 BDADMP C[NH+]1CC[C@@H](Oc2ccc3c(c2)CC[N@H+](C)C3)C1 ZINC001228936989 976590678 /nfs/dbraw/zinc/59/06/78/976590678.db2.gz RZSCRENIEYNHFQ-OAHLLOKOSA-N 2 1 246.354 1.757 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001335288893 976929428 /nfs/dbraw/zinc/92/94/28/976929428.db2.gz JJSNBIUMPPIXPM-CABZTGNLSA-N 2 1 236.363 1.443 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335350881 976988306 /nfs/dbraw/zinc/98/83/06/976988306.db2.gz LHPYEWRMZGMFLX-YPMHNXCESA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H](C[NH+](C)C)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230517270 977231741 /nfs/dbraw/zinc/23/17/41/977231741.db2.gz YDHOJKLGQAIRME-QMMMGPOBSA-N 2 1 234.303 1.474 20 0 BDADMP C[N@H+]1CC[C@@H](Oc2cc3c(cc2O)C=NCC3)C1 ZINC001230915147 977381343 /nfs/dbraw/zinc/38/13/43/977381343.db2.gz NEOKIAOXACSFLR-GFCCVEGCSA-N 2 1 246.310 1.450 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+][C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001336050911 977458611 /nfs/dbraw/zinc/45/86/11/977458611.db2.gz JVFKTBTWERHXDG-BJDJZHNGSA-N 2 1 226.364 1.218 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001336096234 977501272 /nfs/dbraw/zinc/50/12/72/977501272.db2.gz RAYKXPDMHKYOHT-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@]1(C2CC2)COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001336096234 977501307 /nfs/dbraw/zinc/50/13/07/977501307.db2.gz RAYKXPDMHKYOHT-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2cccnc12 ZINC001231486407 977606314 /nfs/dbraw/zinc/60/63/14/977606314.db2.gz SPBNCLRBVFJXNM-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2cccnc12 ZINC001231486407 977606322 /nfs/dbraw/zinc/60/63/22/977606322.db2.gz SPBNCLRBVFJXNM-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP OCC[N@H+]1CCC[C@H]2[C@H]1CCN2c1cc[nH+]cc1 ZINC001336423995 977675230 /nfs/dbraw/zinc/67/52/30/977675230.db2.gz QYXGTMKZXWTNRQ-KGLIPLIRSA-N 2 1 247.342 1.117 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001336603111 977807036 /nfs/dbraw/zinc/80/70/36/977807036.db2.gz YMNVJESPAPLZRI-ZIAGYGMSSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001336603111 977807040 /nfs/dbraw/zinc/80/70/40/977807040.db2.gz YMNVJESPAPLZRI-ZIAGYGMSSA-N 2 1 249.358 1.692 20 0 BDADMP c1c(C[N@H+]2CCCOCC2)[nH]c2cc[nH+]cc12 ZINC001232011640 977834996 /nfs/dbraw/zinc/83/49/96/977834996.db2.gz NLFMFVGWYLDSHI-UHFFFAOYSA-N 2 1 231.299 1.785 20 0 BDADMP Cc1ncc(CN2CCC([NH+]3CCC3)CC2)[nH]1 ZINC001232469697 978118171 /nfs/dbraw/zinc/11/81/71/978118171.db2.gz YBKMEGVKEASRFF-UHFFFAOYSA-N 2 1 234.347 1.388 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](C)C2)C1 ZINC000328202059 978208216 /nfs/dbraw/zinc/20/82/16/978208216.db2.gz SEEPTPOQGYXJDX-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000328202059 978208225 /nfs/dbraw/zinc/20/82/25/978208225.db2.gz SEEPTPOQGYXJDX-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000328202059 978208232 /nfs/dbraw/zinc/20/82/32/978208232.db2.gz SEEPTPOQGYXJDX-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000328202059 978208237 /nfs/dbraw/zinc/20/82/37/978208237.db2.gz SEEPTPOQGYXJDX-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000328202059 978208242 /nfs/dbraw/zinc/20/82/42/978208242.db2.gz SEEPTPOQGYXJDX-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC1(C)COCC[N@@H+]1CCNc1cc[nH+]cc1 ZINC001337655422 978445153 /nfs/dbraw/zinc/44/51/53/978445153.db2.gz QXUCWASMQKOEKV-UHFFFAOYSA-N 2 1 235.331 1.026 20 0 BDADMP CC1(C)COCC[N@H+]1CCNc1cc[nH+]cc1 ZINC001337655422 978445155 /nfs/dbraw/zinc/44/51/55/978445155.db2.gz QXUCWASMQKOEKV-UHFFFAOYSA-N 2 1 235.331 1.026 20 0 BDADMP Cn1c[nH+]cc1N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277765874 978473439 /nfs/dbraw/zinc/47/34/39/978473439.db2.gz VGSKXVZFRKBAJL-TXEJJXNPSA-N 2 1 234.347 1.198 20 0 BDADMP CC[C@H](CNc1cc[nH+]c(N)n1)[NH+]1CCCC1 ZINC001337804310 978504562 /nfs/dbraw/zinc/50/45/62/978504562.db2.gz BZNSMPQYLMHKIC-SNVBAGLBSA-N 2 1 235.335 1.345 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC001233367602 978581586 /nfs/dbraw/zinc/58/15/86/978581586.db2.gz TTYVJKSFLITZJH-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP CN1CC(Oc2cccc3c2CC[N@@H+](C)C3)C1 ZINC001234419718 978831882 /nfs/dbraw/zinc/83/18/82/978831882.db2.gz DYPKXFFCKOLUNT-UHFFFAOYSA-N 2 1 232.327 1.367 20 0 BDADMP CC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277888073 978904181 /nfs/dbraw/zinc/90/41/81/978904181.db2.gz HFNGUWTXZULZSB-WCFLWFBJSA-N 2 1 224.348 1.238 20 0 BDADMP Cc1ccccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234981820 978943232 /nfs/dbraw/zinc/94/32/32/978943232.db2.gz LOTHCIOIVTYDDG-HNNXBMFYSA-N 2 1 245.370 1.132 20 0 BDADMP C[C@H]1CC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235073809 978969250 /nfs/dbraw/zinc/96/92/50/978969250.db2.gz XMPUGZMZCVSXPY-CDGCEXEKSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235073809 978969256 /nfs/dbraw/zinc/96/92/56/978969256.db2.gz XMPUGZMZCVSXPY-CDGCEXEKSA-N 2 1 238.375 1.626 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073262 978969737 /nfs/dbraw/zinc/96/97/37/978969737.db2.gz AJKFTYXYGASAIV-MEBFFEOJSA-N 2 1 218.344 1.635 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073262 978969743 /nfs/dbraw/zinc/96/97/43/978969743.db2.gz AJKFTYXYGASAIV-MEBFFEOJSA-N 2 1 218.344 1.635 20 0 BDADMP CSCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120445 978977731 /nfs/dbraw/zinc/97/77/31/978977731.db2.gz BSDWDMAMDXVWHE-GFCCVEGCSA-N 2 1 228.405 1.958 20 0 BDADMP CSCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120445 978977733 /nfs/dbraw/zinc/97/77/33/978977733.db2.gz BSDWDMAMDXVWHE-GFCCVEGCSA-N 2 1 228.405 1.958 20 0 BDADMP CCC1(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)COC1 ZINC001235126098 978977790 /nfs/dbraw/zinc/97/77/90/978977790.db2.gz RZSCBJZXFYMKIB-AWEZNQCLSA-N 2 1 238.375 1.631 20 0 BDADMP CCC1(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)COC1 ZINC001235126098 978977792 /nfs/dbraw/zinc/97/77/92/978977792.db2.gz RZSCBJZXFYMKIB-AWEZNQCLSA-N 2 1 238.375 1.631 20 0 BDADMP CSCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120446 978978245 /nfs/dbraw/zinc/97/82/45/978978245.db2.gz BSDWDMAMDXVWHE-LBPRGKRZSA-N 2 1 228.405 1.958 20 0 BDADMP CSCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120446 978978248 /nfs/dbraw/zinc/97/82/48/978978248.db2.gz BSDWDMAMDXVWHE-LBPRGKRZSA-N 2 1 228.405 1.958 20 0 BDADMP [NH3+]CCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235121308 978978407 /nfs/dbraw/zinc/97/84/07/978978407.db2.gz CHIDEXRLMRFJMU-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235121308 978978411 /nfs/dbraw/zinc/97/84/11/978978411.db2.gz CHIDEXRLMRFJMU-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP CC[C@@H](N)C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154965 978983928 /nfs/dbraw/zinc/98/39/28/978983928.db2.gz XJOIUQZFTXEJOX-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@@H]([NH3+])CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154965 978983935 /nfs/dbraw/zinc/98/39/35/978983935.db2.gz XJOIUQZFTXEJOX-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP OCCCCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235172905 978984799 /nfs/dbraw/zinc/98/47/99/978984799.db2.gz MPZCEUATSOOSKM-CQSZACIVSA-N 2 1 240.391 1.757 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001235187029 978994263 /nfs/dbraw/zinc/99/42/63/978994263.db2.gz QTIHBMLFCXLJKS-LBPRGKRZSA-N 2 1 212.337 1.228 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001235471849 979052303 /nfs/dbraw/zinc/05/23/03/979052303.db2.gz VDNCNRXDYYOXFO-KBPBESRZSA-N 2 1 239.407 1.306 20 0 BDADMP CN1CC[N@@H+](CCCC[NH3+])Cc2cccnc21 ZINC001235611447 979104602 /nfs/dbraw/zinc/10/46/02/979104602.db2.gz LWNIARMNBVDBHF-UHFFFAOYSA-N 2 1 234.347 1.072 20 0 BDADMP COCC[C@@H]1CCCC[N@H+]1CCCC[NH3+] ZINC001235688574 979117257 /nfs/dbraw/zinc/11/72/57/979117257.db2.gz RDRXVALCQCMQBO-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCC(=O)c1ccccc1 ZINC001235839189 979168816 /nfs/dbraw/zinc/16/88/16/979168816.db2.gz LYZONOXMJGOLRO-UHFFFAOYSA-N 2 1 234.343 1.930 20 0 BDADMP CC(C)C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1 ZINC001235877935 979178381 /nfs/dbraw/zinc/17/83/81/979178381.db2.gz FFKHHHNPZNLENK-AWEZNQCLSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)C[C@H]1CN(CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001235877935 979178385 /nfs/dbraw/zinc/17/83/85/979178385.db2.gz FFKHHHNPZNLENK-AWEZNQCLSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[N@@H+](CCN)CC[C@@H]1CCC[NH2+]C1 ZINC001235948120 979217364 /nfs/dbraw/zinc/21/73/64/979217364.db2.gz JUFZHKOMDOMETK-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)N(CC[NH3+])CC[C@@H]1CCC[NH2+]C1 ZINC001235948120 979217378 /nfs/dbraw/zinc/21/73/78/979217378.db2.gz JUFZHKOMDOMETK-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235976977 979241476 /nfs/dbraw/zinc/24/14/76/979241476.db2.gz DRDNKYHLRAQCBC-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1ccncc1)C2 ZINC001235981803 979263459 /nfs/dbraw/zinc/26/34/59/979263459.db2.gz XJHYLVLBRUBAEH-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC001235981803 979263469 /nfs/dbraw/zinc/26/34/69/979263469.db2.gz XJHYLVLBRUBAEH-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235980960 979263800 /nfs/dbraw/zinc/26/38/00/979263800.db2.gz SQOCATRWCNZMMI-GXTWGEPZSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235980960 979263807 /nfs/dbraw/zinc/26/38/07/979263807.db2.gz SQOCATRWCNZMMI-GXTWGEPZSA-N 3 1 237.391 1.141 20 0 BDADMP CS[C@@H](C)CC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990766 979281498 /nfs/dbraw/zinc/28/14/98/979281498.db2.gz COCBQRGMOKFFNZ-WSMDXJOWSA-N 2 1 244.404 1.034 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc3c1CCN3)C2 ZINC001235996368 979288880 /nfs/dbraw/zinc/28/88/80/979288880.db2.gz XHSLSAGDRSZMDR-WFASDCNBSA-N 2 1 243.354 1.578 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc3c1CCN3)C2 ZINC001235996368 979288893 /nfs/dbraw/zinc/28/88/93/979288893.db2.gz XHSLSAGDRSZMDR-WFASDCNBSA-N 2 1 243.354 1.578 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001236046003 979345613 /nfs/dbraw/zinc/34/56/13/979345613.db2.gz ZSDFVDDDKPSUKJ-NEPJUHHUSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001236046003 979345627 /nfs/dbraw/zinc/34/56/27/979345627.db2.gz ZSDFVDDDKPSUKJ-NEPJUHHUSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCC[NH3+] ZINC001236069608 979357020 /nfs/dbraw/zinc/35/70/20/979357020.db2.gz CUAJRGYLCOOSQK-JTQLQIEISA-N 2 1 230.352 1.387 20 0 BDADMP CCOC(=O)[C@@]1(C)CCC[N@@H+](CCCC[NH3+])C1 ZINC001236071226 979358886 /nfs/dbraw/zinc/35/88/86/979358886.db2.gz GMMVAINQRZXUGL-ZDUSSCGKSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC001236078151 979363194 /nfs/dbraw/zinc/36/31/94/979363194.db2.gz GGIHWRJLAWNBPY-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CN(CC[C@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC001236078151 979363203 /nfs/dbraw/zinc/36/32/03/979363203.db2.gz GGIHWRJLAWNBPY-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)CCC[NH2+]C1CC1 ZINC000689972391 979412602 /nfs/dbraw/zinc/41/26/02/979412602.db2.gz UWWSOFYANZWZJS-UHFFFAOYSA-N 2 1 228.380 1.469 20 0 BDADMP COCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314172 979523781 /nfs/dbraw/zinc/52/37/81/979523781.db2.gz JCSWSKHHGGXURS-BETUJISGSA-N 2 1 226.364 1.344 20 0 BDADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236316346 979527950 /nfs/dbraw/zinc/52/79/50/979527950.db2.gz RGBFBJNUPCKCOZ-TXEJJXNPSA-N 2 1 249.333 1.652 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236320480 979531803 /nfs/dbraw/zinc/53/18/03/979531803.db2.gz HROHISRPMNULBQ-BETUJISGSA-N 2 1 248.374 1.458 20 0 BDADMP CCCc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206525608 979561873 /nfs/dbraw/zinc/56/18/73/979561873.db2.gz UUWQHRZNWPKPNU-GJZGRUSLSA-N 2 1 248.370 1.391 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CCCC[NH3+])CC1 ZINC001236460555 979605201 /nfs/dbraw/zinc/60/52/01/979605201.db2.gz QPSXZAOJLANOCA-UHFFFAOYSA-N 3 1 213.369 1.141 20 0 BDADMP CC[N@H+](C)C1CCN(CCCC[NH3+])CC1 ZINC001236460555 979605204 /nfs/dbraw/zinc/60/52/04/979605204.db2.gz QPSXZAOJLANOCA-UHFFFAOYSA-N 2 1 213.369 1.141 20 0 BDADMP CC[N@@H+](C)C1CCN(CCCC[NH3+])CC1 ZINC001236460555 979605209 /nfs/dbraw/zinc/60/52/09/979605209.db2.gz QPSXZAOJLANOCA-UHFFFAOYSA-N 2 1 213.369 1.141 20 0 BDADMP CC(C)C[N@@H+](CCN)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550163 979633237 /nfs/dbraw/zinc/63/32/37/979633237.db2.gz HPFIAGFTOBALEW-HAQNSBGRSA-N 2 1 213.369 1.173 20 0 BDADMP CC[C@@H](N)C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552674 979636114 /nfs/dbraw/zinc/63/61/14/979636114.db2.gz YUPWKAZUHSIFEY-MGPQQGTHSA-N 2 1 241.423 1.952 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCO)Cc2cccnc2)CC1 ZINC001236564939 979637611 /nfs/dbraw/zinc/63/76/11/979637611.db2.gz QANKISSIVRVLOY-HDJSIYSDSA-N 2 1 249.358 1.146 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCCO)C1 ZINC001206542168 979655018 /nfs/dbraw/zinc/65/50/18/979655018.db2.gz TXNMPMXNGNYSMH-LBPRGKRZSA-N 2 1 214.353 1.210 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001206549234 979676342 /nfs/dbraw/zinc/67/63/42/979676342.db2.gz LJRIMFDWJTWCMM-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP CC1(C[N@H+]2CCC[C@](C)([NH3+])CC2)COC1 ZINC001205254861 979731237 /nfs/dbraw/zinc/73/12/37/979731237.db2.gz CQHCQOOEZCWFPC-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001205256921 979747479 /nfs/dbraw/zinc/74/74/79/979747479.db2.gz SHTMOVRJQBKJSF-OLZOCXBDSA-N 2 1 226.364 1.759 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccco2)CC1 ZINC001205257125 979758188 /nfs/dbraw/zinc/75/81/88/979758188.db2.gz SIXSSCDDBWSOKO-LBPRGKRZSA-N 2 1 208.305 1.983 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC001205257426 979760160 /nfs/dbraw/zinc/76/01/60/979760160.db2.gz VMRKGEUVDZLJHN-CHWSQXEVSA-N 2 1 224.348 1.882 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CCCc1cccnc1 ZINC001236885688 979781749 /nfs/dbraw/zinc/78/17/49/979781749.db2.gz OBUYGDWBLNJCAQ-NSHDSACASA-N 2 1 207.321 1.293 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1cccnc1 ZINC001236885688 979781755 /nfs/dbraw/zinc/78/17/55/979781755.db2.gz OBUYGDWBLNJCAQ-NSHDSACASA-N 2 1 207.321 1.293 20 0 BDADMP C[C@H]([NH3+])C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237036792 979808521 /nfs/dbraw/zinc/80/85/21/979808521.db2.gz CLMSVISNZMYZHJ-BFHYXJOUSA-N 2 1 245.370 1.402 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccnnc2)CC1 ZINC001205273102 979833191 /nfs/dbraw/zinc/83/31/91/979833191.db2.gz DZYUQBNISCIBAR-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccnnc2)CC1 ZINC001205273102 979833197 /nfs/dbraw/zinc/83/31/97/979833197.db2.gz DZYUQBNISCIBAR-GFCCVEGCSA-N 2 1 220.320 1.180 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccnc2N)CC1 ZINC001205280795 979881241 /nfs/dbraw/zinc/88/12/41/979881241.db2.gz JCMXPLFGGIGBCP-CYBMUJFWSA-N 2 1 234.347 1.367 20 0 BDADMP Cc1ccc(O)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001238105529 980155657 /nfs/dbraw/zinc/15/56/57/980155657.db2.gz FJXLKFFSXSDZHP-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP Cc1ccc(O)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001238105529 980155662 /nfs/dbraw/zinc/15/56/62/980155662.db2.gz FJXLKFFSXSDZHP-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP Cc1ccc(O)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001238105529 980155673 /nfs/dbraw/zinc/15/56/73/980155673.db2.gz FJXLKFFSXSDZHP-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP Cc1ccc(O)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001238105529 980155682 /nfs/dbraw/zinc/15/56/82/980155682.db2.gz FJXLKFFSXSDZHP-OKILXGFUSA-N 2 1 246.354 1.694 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238106489 980158569 /nfs/dbraw/zinc/15/85/69/980158569.db2.gz JUDHHFXJEQJDCU-GWCFXTLKSA-N 2 1 231.299 1.147 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238106489 980158573 /nfs/dbraw/zinc/15/85/73/980158573.db2.gz JUDHHFXJEQJDCU-GWCFXTLKSA-N 2 1 231.299 1.147 20 0 BDADMP FC[C@H]1[C@@H]2C[N@H+](Cc3cccc4c[nH+]cn43)C[C@H]12 ZINC001238120737 980167626 /nfs/dbraw/zinc/16/76/26/980167626.db2.gz ZRAUTMKBVVHUSY-ZSOGYDGISA-N 2 1 245.301 1.982 20 0 BDADMP FC[C@H]1[C@@H]2C[N@@H+](Cc3cccc4c[nH+]cn43)C[C@H]12 ZINC001238120737 980167633 /nfs/dbraw/zinc/16/76/33/980167633.db2.gz ZRAUTMKBVVHUSY-ZSOGYDGISA-N 2 1 245.301 1.982 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)CC[NH3+] ZINC001343702461 980201602 /nfs/dbraw/zinc/20/16/02/980201602.db2.gz YJKUWURQONTQLB-LLVKDONJSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001343714231 980214415 /nfs/dbraw/zinc/21/44/15/980214415.db2.gz LXXPKCSXDQMBNA-SDDRHHMPSA-N 2 1 241.379 1.101 20 0 BDADMP CN(CCC[NH+](C)C)c1ccc(N)c[nH+]1 ZINC000077302293 980860207 /nfs/dbraw/zinc/86/02/07/980860207.db2.gz XGVFPXHATHPMBX-UHFFFAOYSA-N 2 1 208.309 1.052 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC001205638333 981396680 /nfs/dbraw/zinc/39/66/80/981396680.db2.gz MOJACHXQKLUAKC-DGCLKSJQSA-N 2 1 248.374 1.471 20 0 BDADMP CCc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc[nH+]1 ZINC001348564740 981397414 /nfs/dbraw/zinc/39/74/14/981397414.db2.gz CLLZIFJJHKLPIX-KCPJHIHWSA-N 2 1 245.370 1.818 20 0 BDADMP Nc1[nH]c2cc(C3=CC[NH2+]CC3)ccc2[nH+]1 ZINC001240466696 981398485 /nfs/dbraw/zinc/39/84/85/981398485.db2.gz FRRIJFQJGDNHJQ-UHFFFAOYSA-N 2 1 214.272 1.522 20 0 BDADMP Nc1[nH]c2ccc(C3=CCC[NH2+]C3)cc2[nH+]1 ZINC001240664224 981573498 /nfs/dbraw/zinc/57/34/98/981573498.db2.gz GDTXUBHLNVRXBG-UHFFFAOYSA-N 2 1 214.272 1.522 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001194177193 981590968 /nfs/dbraw/zinc/59/09/68/981590968.db2.gz UNSFEUDYCLTLCY-LBPRGKRZSA-N 2 1 239.363 1.577 20 0 BDADMP CCC[N@H+]1CCCC[C@H]1C(=O)N(CC)CC[NH3+] ZINC001349608936 981595386 /nfs/dbraw/zinc/59/53/86/981595386.db2.gz WDKUIYRQVWVXLG-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP O[C@H]1CCCC[C@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580880828 981689849 /nfs/dbraw/zinc/68/98/49/981689849.db2.gz YVXLSLRXKKHWCA-RFGFWPKPSA-N 2 1 238.375 1.079 20 0 BDADMP c1cncc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001580897055 981730539 /nfs/dbraw/zinc/73/05/39/981730539.db2.gz CFQVOWCBZBDJIA-OLZOCXBDSA-N 2 1 217.316 1.123 20 0 BDADMP c1cncc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001580897055 981730564 /nfs/dbraw/zinc/73/05/64/981730564.db2.gz CFQVOWCBZBDJIA-OLZOCXBDSA-N 2 1 217.316 1.123 20 0 BDADMP c1cncc(CCC[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC001580897157 981735632 /nfs/dbraw/zinc/73/56/32/981735632.db2.gz HLBWMDOECNWTSG-CABCVRRESA-N 2 1 245.370 1.888 20 0 BDADMP C[N@@H+]1CC=C(c2cccc(C[NH3+])n2)CC1 ZINC001241309715 982451532 /nfs/dbraw/zinc/45/15/32/982451532.db2.gz XSVYQKLVIBMXQV-UHFFFAOYSA-N 2 1 203.289 1.259 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802554 982538091 /nfs/dbraw/zinc/53/80/91/982538091.db2.gz BXCWXSDPMRWXLM-JQWIXIFHSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802554 982538096 /nfs/dbraw/zinc/53/80/96/982538096.db2.gz BXCWXSDPMRWXLM-JQWIXIFHSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802554 982538100 /nfs/dbraw/zinc/53/81/00/982538100.db2.gz BXCWXSDPMRWXLM-JQWIXIFHSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001205802554 982538106 /nfs/dbraw/zinc/53/81/06/982538106.db2.gz BXCWXSDPMRWXLM-JQWIXIFHSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001205806359 982570669 /nfs/dbraw/zinc/57/06/69/982570669.db2.gz UDKXXAMJJSQPTC-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CC2CC[NH2+]CC2)C1 ZINC001205806359 982570681 /nfs/dbraw/zinc/57/06/81/982570681.db2.gz UDKXXAMJJSQPTC-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[N@H+](CC2COC(C)(C)OC2)C[C@@H]1[NH3+] ZINC001205863473 982918547 /nfs/dbraw/zinc/91/85/47/982918547.db2.gz VYARGLPKYOHFHF-PWSUYJOCSA-N 2 1 242.363 1.055 20 0 BDADMP c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000037408333 982939135 /nfs/dbraw/zinc/93/91/35/982939135.db2.gz KSAJWVNXFRBZNJ-GFCCVEGCSA-N 2 1 231.343 1.656 20 0 BDADMP c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000037408333 982939149 /nfs/dbraw/zinc/93/91/49/982939149.db2.gz KSAJWVNXFRBZNJ-GFCCVEGCSA-N 2 1 231.343 1.656 20 0 BDADMP C[C@@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1[NH3+] ZINC001205872061 983013003 /nfs/dbraw/zinc/01/30/03/983013003.db2.gz DXPAYOCXECUVAS-MFKMUULPSA-N 2 1 244.342 1.732 20 0 BDADMP Cc1[nH+]c(N)ccc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242025456 983236091 /nfs/dbraw/zinc/23/60/91/983236091.db2.gz ATKAOSFKLLVXKN-MNOVXSKESA-N 2 1 215.300 1.880 20 0 BDADMP N[C@@H]1CCCC[N@@H+](CCCCCC[NH3+])C1 ZINC001205923547 983353153 /nfs/dbraw/zinc/35/31/53/983353153.db2.gz PDHZIVLVHLIUAB-GFCCVEGCSA-N 2 1 213.369 1.319 20 0 BDADMP [NH3+]CCCCCCN1CCCC[C@@H]([NH3+])C1 ZINC001205923547 983353162 /nfs/dbraw/zinc/35/31/62/983353162.db2.gz PDHZIVLVHLIUAB-GFCCVEGCSA-N 2 1 213.369 1.319 20 0 BDADMP C[C@@H](Cc1ccsc1)[N@@H+](C)C[C@@H](O)CC[NH3+] ZINC001576064990 984148578 /nfs/dbraw/zinc/14/85/78/984148578.db2.gz ABIWLTZTADTGCW-JQWIXIFHSA-N 2 1 242.388 1.321 20 0 BDADMP C[C@H]([NH3+])C[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001576159738 984158923 /nfs/dbraw/zinc/15/89/23/984158923.db2.gz VQNAAPWOFOCWEV-IDKOKCKLSA-N 2 1 228.336 1.044 20 0 BDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576272534 984166819 /nfs/dbraw/zinc/16/68/19/984166819.db2.gz LYDHRFYQWQZHNU-YVECIDJPSA-N 2 1 226.364 1.349 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001576972826 984186224 /nfs/dbraw/zinc/18/62/24/984186224.db2.gz YPDSAZLXPPMMLZ-IGQOVBAYSA-N 2 1 242.407 1.904 20 0 BDADMP CCCC[C@H](COC)[NH2+]C[C@H]1CC[NH2+]1 ZINC001577400948 984196024 /nfs/dbraw/zinc/19/60/24/984196024.db2.gz PYCIURMXSSHCOU-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC001578528754 984216408 /nfs/dbraw/zinc/21/64/08/984216408.db2.gz KZKWWBDBEXAYQQ-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)CC12CCC(CC1)C2 ZINC001578653333 984220886 /nfs/dbraw/zinc/22/08/86/984220886.db2.gz WEPFIUSFDPSSFF-CPCZMJQVSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000691400519 984314879 /nfs/dbraw/zinc/31/48/79/984314879.db2.gz RVROMTDZAWNELW-RYDUCSDGSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2)[C@H]1C ZINC000389731211 984354833 /nfs/dbraw/zinc/35/48/33/984354833.db2.gz PSXKJRFHWSNDOB-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000389731211 984354836 /nfs/dbraw/zinc/35/48/36/984354836.db2.gz PSXKJRFHWSNDOB-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000389731211 984354840 /nfs/dbraw/zinc/35/48/40/984354840.db2.gz PSXKJRFHWSNDOB-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP COCCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274936956 984409930 /nfs/dbraw/zinc/40/99/30/984409930.db2.gz MPDOAVIHWRDSIV-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001274936956 984409934 /nfs/dbraw/zinc/40/99/34/984409934.db2.gz MPDOAVIHWRDSIV-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCCC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001274936956 984409938 /nfs/dbraw/zinc/40/99/38/984409938.db2.gz MPDOAVIHWRDSIV-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)[nH]n1 ZINC001275207806 984522207 /nfs/dbraw/zinc/52/22/07/984522207.db2.gz BFCZEICNJMDGDC-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)[nH]n1 ZINC001275207806 984522216 /nfs/dbraw/zinc/52/22/16/984522216.db2.gz BFCZEICNJMDGDC-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)[nH]n1 ZINC001275207806 984522226 /nfs/dbraw/zinc/52/22/26/984522226.db2.gz BFCZEICNJMDGDC-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)n[nH]1 ZINC001275207806 984522239 /nfs/dbraw/zinc/52/22/39/984522239.db2.gz BFCZEICNJMDGDC-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)n[nH]1 ZINC001275207806 984522253 /nfs/dbraw/zinc/52/22/53/984522253.db2.gz BFCZEICNJMDGDC-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)n[nH]1 ZINC001275207806 984522264 /nfs/dbraw/zinc/52/22/64/984522264.db2.gz BFCZEICNJMDGDC-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)n[nH]1 ZINC001275207806 984522271 /nfs/dbraw/zinc/52/22/71/984522271.db2.gz BFCZEICNJMDGDC-BETUJISGSA-N 2 1 248.374 1.492 20 0 BDADMP O[C@@H]1CC[C@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)[C@@H]12 ZINC001580884684 984619891 /nfs/dbraw/zinc/61/98/91/984619891.db2.gz MBSGCHGDMZGLHV-XJFOESAGSA-N 2 1 238.375 1.221 20 0 BDADMP CC[N@H+]1CC[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC001577768481 984717387 /nfs/dbraw/zinc/71/73/87/984717387.db2.gz ZFUMCLQLNNCHIQ-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC001577763403 984726910 /nfs/dbraw/zinc/72/69/10/984726910.db2.gz AKHBEDFYHCFIIT-CQSZACIVSA-N 3 1 239.407 1.389 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CC[C@](C)(CN)C2)CC1 ZINC001577763403 984726964 /nfs/dbraw/zinc/72/69/64/984726964.db2.gz AKHBEDFYHCFIIT-CQSZACIVSA-N 2 1 239.407 1.389 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@](C)(CN)C2)CC1 ZINC001577763403 984726989 /nfs/dbraw/zinc/72/69/89/984726989.db2.gz AKHBEDFYHCFIIT-CQSZACIVSA-N 2 1 239.407 1.389 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+]CC1(OC)CCC1 ZINC001577887077 984817288 /nfs/dbraw/zinc/81/72/88/984817288.db2.gz HJPPKPCQBDVAGZ-SNVBAGLBSA-N 2 1 200.326 1.143 20 0 BDADMP CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001577936060 984820992 /nfs/dbraw/zinc/82/09/92/984820992.db2.gz NAPBDPUWCGFPQO-NEPJUHHUSA-N 2 1 242.363 1.102 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)ncn1C ZINC001276247535 984835376 /nfs/dbraw/zinc/83/53/76/984835376.db2.gz MFFVWUJDEAQHGC-YHWZYXNKSA-N 2 1 248.374 1.443 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)ncn1C ZINC001276247535 984835382 /nfs/dbraw/zinc/83/53/82/984835382.db2.gz MFFVWUJDEAQHGC-YHWZYXNKSA-N 2 1 248.374 1.443 20 0 BDADMP Cn1cnc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1 ZINC001276271724 984837098 /nfs/dbraw/zinc/83/70/98/984837098.db2.gz WHTOQYXUNUZFID-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1cnc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001276271724 984837099 /nfs/dbraw/zinc/83/70/99/984837099.db2.gz WHTOQYXUNUZFID-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1cnc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001276271724 984837100 /nfs/dbraw/zinc/83/71/00/984837100.db2.gz WHTOQYXUNUZFID-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP CCOC1CC([NH2+][C@@H]2C[NH2+]CC2(C)C)C1 ZINC001578093216 984846058 /nfs/dbraw/zinc/84/60/58/984846058.db2.gz FUMHHILAKDCADT-VQXHTEKXSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@@H](O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC001578226182 984877054 /nfs/dbraw/zinc/87/70/54/984877054.db2.gz WFIIEEJOEHFGLW-WISYIIOYSA-N 2 1 214.353 1.205 20 0 BDADMP CC[C@@H](O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC001578226182 984877056 /nfs/dbraw/zinc/87/70/56/984877056.db2.gz WFIIEEJOEHFGLW-WISYIIOYSA-N 2 1 214.353 1.205 20 0 BDADMP CCC[C@@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001257309335 984883702 /nfs/dbraw/zinc/88/37/02/984883702.db2.gz JEBMPVCQKIKWKC-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC001578241893 984895539 /nfs/dbraw/zinc/89/55/39/984895539.db2.gz QZRDXIKTXBVWHA-HHHUOAJASA-N 2 1 212.337 1.282 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H](C)Cn1cccn1 ZINC001578241591 984896375 /nfs/dbraw/zinc/89/63/75/984896375.db2.gz CZHNJCGMRPHPRZ-UTUOFQBUSA-N 2 1 222.336 1.002 20 0 BDADMP CCc1ccccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1O ZINC001578277190 984922702 /nfs/dbraw/zinc/92/27/02/984922702.db2.gz PBSPVBKBVKGMIQ-ZIAGYGMSSA-N 2 1 234.343 1.061 20 0 BDADMP CCc1nc(N[C@H]2C[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC001578291032 984936703 /nfs/dbraw/zinc/93/67/03/984936703.db2.gz FQORMTDKKTYMSA-DTORHVGOSA-N 2 1 206.293 1.249 20 0 BDADMP CCn1nc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1C ZINC001578361245 985004927 /nfs/dbraw/zinc/00/49/27/985004927.db2.gz GSJNHEISCIVGKZ-PHIMTYICSA-N 2 1 222.336 1.099 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(O)CCC1 ZINC000686011722 985038467 /nfs/dbraw/zinc/03/84/67/985038467.db2.gz HIZGYTLYEXTYBG-UHFFFAOYSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+](CC(C)(C)C[NH3+])CC1(O)CCSCC1 ZINC001578438545 985066242 /nfs/dbraw/zinc/06/62/42/985066242.db2.gz SWJSRCULWHXGMG-UHFFFAOYSA-N 2 1 246.420 1.161 20 0 BDADMP C[N@@H+](CCC(=O)OC(C)(C)C)C1CC([NH3+])C1 ZINC001578461324 985091490 /nfs/dbraw/zinc/09/14/90/985091490.db2.gz JVOPWNCQDYLAFS-UHFFFAOYSA-N 2 1 228.336 1.140 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578463934 985100716 /nfs/dbraw/zinc/10/07/16/985100716.db2.gz ULNPIBKNJDZXMU-YNEHKIRRSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+](Cc1ccc(=O)[nH]c1)CC1CC[NH2+]CC1 ZINC001578489792 985121738 /nfs/dbraw/zinc/12/17/38/985121738.db2.gz MBWQBZUSUQLJLB-UHFFFAOYSA-N 2 1 235.331 1.219 20 0 BDADMP C[N@H+]1CCCC[C@H]1CNCC(C)(C)C[NH3+] ZINC001578529381 985129083 /nfs/dbraw/zinc/12/90/83/985129083.db2.gz TUCPNQOGXSJXOT-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP CN1CCCC[C@H]1C[NH2+]CC(C)(C)C[NH3+] ZINC001578529381 985129089 /nfs/dbraw/zinc/12/90/89/985129089.db2.gz TUCPNQOGXSJXOT-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC001578521173 985138973 /nfs/dbraw/zinc/13/89/73/985138973.db2.gz MJGAKUBNPWHAFI-ZSLBOAEBSA-N 3 1 237.391 1.186 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC001578521173 985138980 /nfs/dbraw/zinc/13/89/80/985138980.db2.gz MJGAKUBNPWHAFI-ZSLBOAEBSA-N 2 1 237.391 1.186 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC001578521173 985138987 /nfs/dbraw/zinc/13/89/87/985138987.db2.gz MJGAKUBNPWHAFI-ZSLBOAEBSA-N 2 1 237.391 1.186 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@H]([NH3+])C34CCC4)[C@H]2C1 ZINC001578521158 985139685 /nfs/dbraw/zinc/13/96/85/985139685.db2.gz MGPMOLUOWRSYEY-HTVCTNPSSA-N 2 1 249.402 1.186 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])C3(C)C)[C@@H]2C1 ZINC001578521176 985144478 /nfs/dbraw/zinc/14/44/78/985144478.db2.gz MJYGAVWFDYMWRC-OBPIAQAESA-N 2 1 237.391 1.042 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N)nc3)[C@@H]2C1 ZINC001578520916 985144709 /nfs/dbraw/zinc/14/47/09/985144709.db2.gz IXMSFUKBSWHJTH-YNEHKIRRSA-N 2 1 246.358 1.094 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC001578525308 985152105 /nfs/dbraw/zinc/15/21/05/985152105.db2.gz VFDVTFOKRXFGMA-VOAKCMCISA-N 2 1 237.391 1.342 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC001578622698 985239374 /nfs/dbraw/zinc/23/93/74/985239374.db2.gz YNKPREJXXXLMTD-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP CO[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000687189787 985250953 /nfs/dbraw/zinc/25/09/53/985250953.db2.gz AUTGLLVQBHUIFF-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)CSC ZINC001578677185 985287611 /nfs/dbraw/zinc/28/76/11/985287611.db2.gz YNGPPRDAFJNLIQ-RYUDHWBXSA-N 2 1 246.420 1.174 20 0 BDADMP COC(=O)[C@]1(C)CCC[N@@H+](CC(C)(C)C[NH3+])C1 ZINC001578779028 985344641 /nfs/dbraw/zinc/34/46/41/985344641.db2.gz XSTFNWCWMKXZKZ-CYBMUJFWSA-N 2 1 242.363 1.246 20 0 BDADMP COC1(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])CCC1 ZINC001578926747 985509410 /nfs/dbraw/zinc/50/94/10/985509410.db2.gz MTWYQJCAQXAXQU-YPMHNXCESA-N 2 1 224.348 1.369 20 0 BDADMP COC1(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])CCC1 ZINC001578926747 985509417 /nfs/dbraw/zinc/50/94/17/985509417.db2.gz MTWYQJCAQXAXQU-YPMHNXCESA-N 2 1 224.348 1.369 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC001578913255 985518040 /nfs/dbraw/zinc/51/80/40/985518040.db2.gz SXWCCCSHITUMPU-KBXIAJHMSA-N 2 1 246.354 1.052 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCC1 ZINC001578926583 985529686 /nfs/dbraw/zinc/52/96/86/985529686.db2.gz HUQHFSIYIGLSBJ-STQMWFEESA-N 2 1 238.375 1.616 20 0 BDADMP CO[C@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578937117 985544001 /nfs/dbraw/zinc/54/40/01/985544001.db2.gz GTDZWKICPIPCGZ-VOAKCMCISA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578937469 985548340 /nfs/dbraw/zinc/54/83/40/985548340.db2.gz JXISMOGLYNRYKA-USZNOCQGSA-N 2 1 212.337 1.223 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001578955429 985577958 /nfs/dbraw/zinc/57/79/58/985577958.db2.gz OTIFHLJNLUZERH-VWYCJHECSA-N 2 1 212.337 1.142 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC001578970096 985600052 /nfs/dbraw/zinc/60/00/52/985600052.db2.gz KHERNXCMCMLQPT-VHDGCEQUSA-N 2 1 248.370 1.819 20 0 BDADMP COCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCC1 ZINC001578985308 985616439 /nfs/dbraw/zinc/61/64/39/985616439.db2.gz YCAIPVGOBOOEQL-GRYCIOLGSA-N 2 1 224.348 1.286 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+]Cc1cccc(C)c1 ZINC001579002375 985656620 /nfs/dbraw/zinc/65/66/20/985656620.db2.gz AWRIKDXABRHWLD-ZDUSSCGKSA-N 2 1 222.332 1.448 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)O1 ZINC000688884127 985744824 /nfs/dbraw/zinc/74/48/24/985744824.db2.gz OOOHDXDSMMHNFT-FDYHWXHSSA-N 2 1 226.364 1.674 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001579114298 985748547 /nfs/dbraw/zinc/74/85/47/985748547.db2.gz KUJQYCCKEZYKNT-NNYUYHANSA-N 2 1 212.337 1.142 20 0 BDADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](C)[NH3+] ZINC001579132929 985806601 /nfs/dbraw/zinc/80/66/01/985806601.db2.gz IUJOCIRLPGACEQ-WQAKAFBOSA-N 2 1 220.316 1.236 20 0 BDADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC001579217951 985819563 /nfs/dbraw/zinc/81/95/63/985819563.db2.gz JOWOIHMPHPYACQ-ZJUUUORDSA-N 2 1 224.304 1.233 20 0 BDADMP COc1ccc(OC)c(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1 ZINC001579231716 985824252 /nfs/dbraw/zinc/82/42/52/985824252.db2.gz GXORIOPDJYKURJ-PHIMTYICSA-N 2 1 236.315 1.283 20 0 BDADMP COc1nc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC001579323686 985834926 /nfs/dbraw/zinc/83/49/26/985834926.db2.gz NBSKMFUKCWUXRI-VXGBXAGGSA-N 2 1 249.358 1.568 20 0 BDADMP COc1nc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC001579323686 985834931 /nfs/dbraw/zinc/83/49/31/985834931.db2.gz NBSKMFUKCWUXRI-VXGBXAGGSA-N 2 1 249.358 1.568 20 0 BDADMP COc1nc2ccccc2cc1C[NH2+]CCC[NH3+] ZINC001579324083 985844392 /nfs/dbraw/zinc/84/43/92/985844392.db2.gz ZJKSKPQVORMZLJ-UHFFFAOYSA-N 2 1 245.326 1.682 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001460774826 985895814 /nfs/dbraw/zinc/89/58/14/985895814.db2.gz QNFIFKCQABDPAX-YIYPIFLZSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001460774826 985895823 /nfs/dbraw/zinc/89/58/23/985895823.db2.gz QNFIFKCQABDPAX-YIYPIFLZSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001460774826 985895825 /nfs/dbraw/zinc/89/58/25/985895825.db2.gz QNFIFKCQABDPAX-YIYPIFLZSA-N 2 1 238.375 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)CCO1 ZINC001579439909 985926361 /nfs/dbraw/zinc/92/63/61/985926361.db2.gz BJCPGYHWAGFHON-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(C2CC2)cnn1C ZINC001579460968 985957870 /nfs/dbraw/zinc/95/78/70/985957870.db2.gz WEDSKXLXQZQCRR-PWSUYJOCSA-N 2 1 248.374 1.243 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@]1(C)CCCCO1 ZINC001579467572 985966793 /nfs/dbraw/zinc/96/67/93/985966793.db2.gz POFBLKSPJNBPPQ-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCCO1 ZINC001461126927 986016654 /nfs/dbraw/zinc/01/66/54/986016654.db2.gz NDXYPFBXIUUJHO-CYBMUJFWSA-N 2 1 249.358 1.806 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001579496325 986021796 /nfs/dbraw/zinc/02/17/96/986021796.db2.gz RYKOVVDUKTUMCX-YNEHKIRRSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC001579499411 986027281 /nfs/dbraw/zinc/02/72/81/986027281.db2.gz NNBXJNAHQXZLLT-GMTAPVOTSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1c(Cl)cccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC001579535353 986072971 /nfs/dbraw/zinc/07/29/71/986072971.db2.gz MBUUPNLXFHZJCP-LLVKDONJSA-N 2 1 242.750 1.400 20 0 BDADMP Cc1c(Cl)cccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC001579535353 986072985 /nfs/dbraw/zinc/07/29/85/986072985.db2.gz MBUUPNLXFHZJCP-LLVKDONJSA-N 2 1 242.750 1.400 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc(Cl)n1 ZINC001579600760 986110916 /nfs/dbraw/zinc/11/09/16/986110916.db2.gz CSWYBOYWQRKIRI-AOOOYVTPSA-N 2 1 225.723 1.623 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(C)n1 ZINC001579598325 986114067 /nfs/dbraw/zinc/11/40/67/986114067.db2.gz POKGBXKVBMBODF-CQSZACIVSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[NH2+]2)cc1 ZINC001579684936 986174436 /nfs/dbraw/zinc/17/44/36/986174436.db2.gz ZDEAPVVXPLMKQB-TZMCWYRMSA-N 2 1 218.344 1.878 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1C ZINC001461832188 986193648 /nfs/dbraw/zinc/19/36/48/986193648.db2.gz VITPJPJLMMFDCT-JHJVBQTASA-N 2 1 248.374 1.456 20 0 BDADMP Cc1n[nH]c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1C ZINC001461832188 986193665 /nfs/dbraw/zinc/19/36/65/986193665.db2.gz VITPJPJLMMFDCT-JHJVBQTASA-N 2 1 248.374 1.456 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579839490 986266476 /nfs/dbraw/zinc/26/64/76/986266476.db2.gz MPWLBVPXYFWPDF-CMPLNLGQSA-N 2 1 222.336 1.277 20 0 BDADMP Cc1[nH]ncc1C[N@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579839490 986266487 /nfs/dbraw/zinc/26/64/87/986266487.db2.gz MPWLBVPXYFWPDF-CMPLNLGQSA-N 2 1 222.336 1.277 20 0 BDADMP Cc1[nH]ncc1C[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579839490 986266500 /nfs/dbraw/zinc/26/65/00/986266500.db2.gz MPWLBVPXYFWPDF-CMPLNLGQSA-N 2 1 222.336 1.277 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)o1 ZINC001579877897 986292403 /nfs/dbraw/zinc/29/24/03/986292403.db2.gz GSFBTLVGJRWNTF-MNOVXSKESA-N 2 1 221.304 1.024 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)o1 ZINC001579877897 986292414 /nfs/dbraw/zinc/29/24/14/986292414.db2.gz GSFBTLVGJRWNTF-MNOVXSKESA-N 2 1 221.304 1.024 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)C[C@@H](C)O)CC1 ZINC001462275953 986333866 /nfs/dbraw/zinc/33/38/66/986333866.db2.gz TUEPJABNRVKYSQ-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP COCC[C@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC001462345802 986358189 /nfs/dbraw/zinc/35/81/89/986358189.db2.gz DRCHVURDPBSLMY-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP Cn1cc(Cl)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC001579964882 986361974 /nfs/dbraw/zinc/36/19/74/986361974.db2.gz ITIIQRJKNBZJNK-SECBINFHSA-N 2 1 242.754 1.244 20 0 BDADMP Cn1cc(Cl)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC001579964882 986361980 /nfs/dbraw/zinc/36/19/80/986361980.db2.gz ITIIQRJKNBZJNK-SECBINFHSA-N 2 1 242.754 1.244 20 0 BDADMP Cn1cc(C[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)cn1 ZINC001579961280 986364710 /nfs/dbraw/zinc/36/47/10/986364710.db2.gz HBQXGXVDDRDGDH-ZIAGYGMSSA-N 2 1 248.374 1.371 20 0 BDADMP FC1(F)[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC001580023738 986416211 /nfs/dbraw/zinc/41/62/11/986416211.db2.gz DDFDMNBBQKYTOK-AEJSXWLSSA-N 2 1 216.275 1.183 20 0 BDADMP FC1(F)[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC001580023962 986426727 /nfs/dbraw/zinc/42/67/27/986426727.db2.gz LNOMHKUCIBUEGS-AXFHLTTASA-N 2 1 230.302 1.573 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001462663609 986496804 /nfs/dbraw/zinc/49/68/04/986496804.db2.gz FJLVMZACWACTNW-GRYCIOLGSA-N 2 1 240.416 1.812 20 0 BDADMP Cn1cc(C2([NH2+][C@H]3CCC[N@H+](C)CC3)CC2)cn1 ZINC001254501794 986640249 /nfs/dbraw/zinc/64/02/49/986640249.db2.gz XPXKYGBKHPFURH-ZDUSSCGKSA-N 2 1 248.374 1.483 20 0 BDADMP Cn1cc(C2([NH2+][C@H]3CCC[N@@H+](C)CC3)CC2)cn1 ZINC001254501794 986640262 /nfs/dbraw/zinc/64/02/62/986640262.db2.gz XPXKYGBKHPFURH-ZDUSSCGKSA-N 2 1 248.374 1.483 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCCC[C@H]1O)C2 ZINC001580170793 986648159 /nfs/dbraw/zinc/64/81/59/986648159.db2.gz ZKSWUZAOFJKIDH-MQLXINIDSA-N 2 1 238.375 1.349 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCCO1 ZINC001254516537 986654259 /nfs/dbraw/zinc/65/42/59/986654259.db2.gz NVKAWFHICJKMJO-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCCO1 ZINC001254516537 986654281 /nfs/dbraw/zinc/65/42/81/986654281.db2.gz NVKAWFHICJKMJO-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCCO1 ZINC001254516537 986654300 /nfs/dbraw/zinc/65/43/00/986654300.db2.gz NVKAWFHICJKMJO-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@]3(CCO3)C2)CC1 ZINC001254527548 986677367 /nfs/dbraw/zinc/67/73/67/986677367.db2.gz ZRKJEXCYPTZQFI-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001254527548 986677375 /nfs/dbraw/zinc/67/73/75/986677375.db2.gz ZRKJEXCYPTZQFI-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001254527548 986677385 /nfs/dbraw/zinc/67/73/85/986677385.db2.gz ZRKJEXCYPTZQFI-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C(C)(C)O ZINC000380234019 986697738 /nfs/dbraw/zinc/69/77/38/986697738.db2.gz LZAQSWOIQAYLKM-MNOVXSKESA-N 2 1 214.353 1.220 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCCC[C@H]1O ZINC001580254732 986707064 /nfs/dbraw/zinc/70/70/64/986707064.db2.gz ZMTZYFJEMAUMIZ-AAVRWANBSA-N 2 1 238.375 1.351 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCCC[C@H]1O ZINC001580254732 986707082 /nfs/dbraw/zinc/70/70/82/986707082.db2.gz ZMTZYFJEMAUMIZ-AAVRWANBSA-N 2 1 238.375 1.351 20 0 BDADMP [NH3+]C[C@@]12C[N@H+](Cc3cc[nH]n3)C[C@H]1CCCC2 ZINC001580256864 986712143 /nfs/dbraw/zinc/71/21/43/986712143.db2.gz YNXUMRXOQKKZPE-YPMHNXCESA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@@]12C[N@@H+](Cc3cc[nH]n3)C[C@H]1CCCC2 ZINC001580256864 986712151 /nfs/dbraw/zinc/71/21/51/986712151.db2.gz YNXUMRXOQKKZPE-YPMHNXCESA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncccc2F)C1 ZINC001580288761 986730980 /nfs/dbraw/zinc/73/09/80/986730980.db2.gz WXXCWVVHFNTDAK-SNVBAGLBSA-N 2 1 223.295 1.391 20 0 BDADMP C[C@H](C[NH3+])CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000381594273 986736142 /nfs/dbraw/zinc/73/61/42/986736142.db2.gz DZVLTJTXYQIRTR-ODWCKFRGSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000381594273 986736146 /nfs/dbraw/zinc/73/61/46/986736146.db2.gz DZVLTJTXYQIRTR-ODWCKFRGSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000381594273 986736154 /nfs/dbraw/zinc/73/61/54/986736154.db2.gz DZVLTJTXYQIRTR-ODWCKFRGSA-N 3 1 225.380 1.186 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](n3cccn3)C2)C1 ZINC001580387609 986812405 /nfs/dbraw/zinc/81/24/05/986812405.db2.gz QCWQQLIHNGFLHZ-XQQFMLRXSA-N 2 1 234.347 1.257 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000383746166 986825589 /nfs/dbraw/zinc/82/55/89/986825589.db2.gz JDVXYCRYLCWVTK-HZSPNIEDSA-N 2 1 242.407 1.952 20 0 BDADMP Nc1ncccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001580472385 986869652 /nfs/dbraw/zinc/86/96/52/986869652.db2.gz FFHBCBNLVQZWQV-WDEREUQCSA-N 2 1 232.331 1.023 20 0 BDADMP C[NH2+]CCC[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206584305 986943362 /nfs/dbraw/zinc/94/33/62/986943362.db2.gz YDBCBIFALUFVRO-CYBMUJFWSA-N 3 1 227.396 1.448 20 0 BDADMP C[NH2+]CCC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206584305 986943372 /nfs/dbraw/zinc/94/33/72/986943372.db2.gz YDBCBIFALUFVRO-CYBMUJFWSA-N 3 1 227.396 1.448 20 0 BDADMP Cc1[nH+]c(N)ccc1-c1ccncc1C[NH3+] ZINC001245560515 986955715 /nfs/dbraw/zinc/95/57/15/986955715.db2.gz OZMIDSTYFSRUPZ-UHFFFAOYSA-N 2 1 214.272 1.493 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C[NH2+]1 ZINC001245974484 987240308 /nfs/dbraw/zinc/24/03/08/987240308.db2.gz MWEMNCFNMROZLD-GARJFASQSA-N 2 1 214.353 1.124 20 0 BDADMP CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001245998763 987277476 /nfs/dbraw/zinc/27/74/76/987277476.db2.gz ZEZCZEKTGBJGJE-SRVKXCTJSA-N 2 1 214.353 1.125 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001245998780 987277823 /nfs/dbraw/zinc/27/78/23/987277823.db2.gz ZHFRWOGFKHSMDG-NEPJUHHUSA-N 2 1 214.353 1.269 20 0 BDADMP CC[N@@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000691345997 987286178 /nfs/dbraw/zinc/28/61/78/987286178.db2.gz CIPAJPNIJVJSCA-UHFFFAOYSA-N 2 1 214.353 1.033 20 0 BDADMP CC(C)[C@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246036877 987335612 /nfs/dbraw/zinc/33/56/12/987335612.db2.gz VIYVFZNXBIANIX-CHWSQXEVSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246036877 987335619 /nfs/dbraw/zinc/33/56/19/987335619.db2.gz VIYVFZNXBIANIX-CHWSQXEVSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697090434 987351693 /nfs/dbraw/zinc/35/16/93/987351693.db2.gz ZGQOYLCAISBLKP-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697090434 987351701 /nfs/dbraw/zinc/35/17/01/987351701.db2.gz ZGQOYLCAISBLKP-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246066835 987352731 /nfs/dbraw/zinc/35/27/31/987352731.db2.gz SFNYZSZURSEBOA-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246066835 987352736 /nfs/dbraw/zinc/35/27/36/987352736.db2.gz SFNYZSZURSEBOA-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)CC[NH2+]1 ZINC001246079752 987373968 /nfs/dbraw/zinc/37/39/68/987373968.db2.gz FUJKMHLNYRHKSY-MWLCHTKSSA-N 2 1 239.750 1.965 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(F)CC2)C[NH2+]1 ZINC001246082318 987376747 /nfs/dbraw/zinc/37/67/47/987376747.db2.gz QWRJDCKIRPCZBS-HBIQZDMRSA-N 2 1 214.328 1.997 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246084345 987380010 /nfs/dbraw/zinc/38/00/10/987380010.db2.gz YOHRQOWEGCPIGN-DGCLKSJQSA-N 2 1 219.332 1.620 20 0 BDADMP c1nc2ccccn2c1C[NH2+]C1CC[NH2+]CC1 ZINC001246085222 987384849 /nfs/dbraw/zinc/38/48/49/987384849.db2.gz PTFBDBTVNIRQNU-UHFFFAOYSA-N 2 1 230.315 1.176 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC001246087497 987386304 /nfs/dbraw/zinc/38/63/04/987386304.db2.gz YFHZIQCUQZHUNC-PBYDBYKOSA-N 2 1 224.348 1.427 20 0 BDADMP CCOC(=O)CC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090219 987393048 /nfs/dbraw/zinc/39/30/48/987393048.db2.gz JZOFKMTVWVOWGE-VXGBXAGGSA-N 2 1 242.363 1.450 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C[NH2+]1 ZINC001246094495 987406475 /nfs/dbraw/zinc/40/64/75/987406475.db2.gz MWKZYBDWOCSHBD-DDHJBXDOSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC2(COC2)CC1 ZINC001246102016 987424313 /nfs/dbraw/zinc/42/43/13/987424313.db2.gz OCRPEOURPMUFMJ-DGCLKSJQSA-N 2 1 238.375 1.533 20 0 BDADMP C(C[NH2+][C@@H]1CCCCNC1)CC1CC[NH2+]CC1 ZINC001246103190 987427000 /nfs/dbraw/zinc/42/70/00/987427000.db2.gz GHZRVZDLHBAWNP-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(=O)[nH]1 ZINC001246103194 987427706 /nfs/dbraw/zinc/42/77/06/987427706.db2.gz GJISOBCCRGBXML-PWSUYJOCSA-N 2 1 249.358 1.634 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246102762 987428266 /nfs/dbraw/zinc/42/82/66/987428266.db2.gz WXEXGZILWZRRST-AAVRWANBSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246102727 987428349 /nfs/dbraw/zinc/42/83/49/987428349.db2.gz DZCDNGSRRWWCMW-WCQYABFASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246102726 987429745 /nfs/dbraw/zinc/42/97/45/987429745.db2.gz DZCDNGSRRWWCMW-DGCLKSJQSA-N 3 1 225.380 1.106 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246106326 987432278 /nfs/dbraw/zinc/43/22/78/987432278.db2.gz XGSWJIBLBCQUHB-AAVRWANBSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108052 987437640 /nfs/dbraw/zinc/43/76/40/987437640.db2.gz BVLBOLLZIJCMSK-POQQGIQPSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC3(C[NH2+]C3)C2)NC1 ZINC001246107331 987438406 /nfs/dbraw/zinc/43/84/06/987438406.db2.gz FWLDQVQUIJPMEV-JHJVBQTASA-N 2 1 237.391 1.106 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246113369 987449006 /nfs/dbraw/zinc/44/90/06/987449006.db2.gz SWFWNAUWNAXDKC-SYQHCUMBSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246113854 987451185 /nfs/dbraw/zinc/45/11/85/987451185.db2.gz ULSVEWNHRQOSJC-NDBYEHHHSA-N 3 1 239.407 1.493 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@@H]2CCC[N@@H+](C)CC2)[NH2+]C1 ZINC001246115628 987454805 /nfs/dbraw/zinc/45/48/05/987454805.db2.gz RRBZKYGNFZUMRG-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCSC2)[NH2+]C1 ZINC001246116154 987455339 /nfs/dbraw/zinc/45/53/39/987455339.db2.gz UYCUVKGUTLDGRS-GMTAPVOTSA-N 2 1 214.378 1.470 20 0 BDADMP CC1(C)C[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)CCO1 ZINC001246132332 987483353 /nfs/dbraw/zinc/48/33/53/987483353.db2.gz LURAXPNPFQWFJZ-MNOVXSKESA-N 2 1 224.348 1.286 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CCO1 ZINC001246135257 987494665 /nfs/dbraw/zinc/49/46/65/987494665.db2.gz TVTBIPWXNKKJQF-IJLUTSLNSA-N 2 1 224.348 1.286 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC1CC1 ZINC001246150015 987506003 /nfs/dbraw/zinc/50/60/03/987506003.db2.gz FEOHPMHTLFMXHW-JQWIXIFHSA-N 2 1 242.363 1.435 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CC1CC1 ZINC001246150016 987507349 /nfs/dbraw/zinc/50/73/49/987507349.db2.gz FEOHPMHTLFMXHW-PWSUYJOCSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116293393 987509208 /nfs/dbraw/zinc/50/92/08/987509208.db2.gz ARJFASLJNKKDMY-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116293393 987509228 /nfs/dbraw/zinc/50/92/28/987509228.db2.gz ARJFASLJNKKDMY-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[NH2+]1 ZINC001246152961 987512266 /nfs/dbraw/zinc/51/22/66/987512266.db2.gz OKVIZYYGSYKQLH-WAZAZEMKSA-N 2 1 246.354 1.375 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC[NH2+]1 ZINC001246153217 987514315 /nfs/dbraw/zinc/51/43/15/987514315.db2.gz MLMOBQUBORMILM-VHDGCEQUSA-N 2 1 248.370 1.840 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246155651 987518283 /nfs/dbraw/zinc/51/82/83/987518283.db2.gz WPMDDHIZQKQDTH-IRCOFANPSA-N 2 1 214.353 1.124 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246162769 987528179 /nfs/dbraw/zinc/52/81/79/987528179.db2.gz SDJOZPSNNAYUQE-KBPBESRZSA-N 2 1 241.423 1.839 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246177206 987548810 /nfs/dbraw/zinc/54/88/10/987548810.db2.gz RTKCWCWDZAKHLI-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CN1 ZINC001246177206 987548775 /nfs/dbraw/zinc/54/87/75/987548775.db2.gz RTKCWCWDZAKHLI-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246177206 987548802 /nfs/dbraw/zinc/54/88/02/987548802.db2.gz RTKCWCWDZAKHLI-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246189068 987572650 /nfs/dbraw/zinc/57/26/50/987572650.db2.gz ZGSYVMRCWBNXGH-RYUDHWBXSA-N 2 1 242.363 1.450 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246189069 987574430 /nfs/dbraw/zinc/57/44/30/987574430.db2.gz ZGSYVMRCWBNXGH-VXGBXAGGSA-N 2 1 242.363 1.450 20 0 BDADMP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC001246191247 987578175 /nfs/dbraw/zinc/57/81/75/987578175.db2.gz PGPDBSRFGJWEGG-LLVKDONJSA-N 2 1 219.332 1.793 20 0 BDADMP CC1CC(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001473843381 987583852 /nfs/dbraw/zinc/58/38/52/987583852.db2.gz CBQNWPRREPECJA-PQAZSJQKSA-N 2 1 222.376 1.916 20 0 BDADMP CC1CC(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001473843381 987583864 /nfs/dbraw/zinc/58/38/64/987583864.db2.gz CBQNWPRREPECJA-PQAZSJQKSA-N 2 1 222.376 1.916 20 0 BDADMP CC1CC(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1 ZINC001473843381 987583876 /nfs/dbraw/zinc/58/38/76/987583876.db2.gz CBQNWPRREPECJA-PQAZSJQKSA-N 2 1 222.376 1.916 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2(C3CCOCC3)CC2)C[NH2+]1 ZINC001246194218 987586140 /nfs/dbraw/zinc/58/61/40/987586140.db2.gz GRDJPUQWDMGSPO-AAEUAGOBSA-N 2 1 238.375 1.676 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204690 987600262 /nfs/dbraw/zinc/60/02/62/987600262.db2.gz KPLYMHLQZRLPHN-FRRDWIJNSA-N 3 1 225.380 1.330 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204690 987600268 /nfs/dbraw/zinc/60/02/68/987600268.db2.gz KPLYMHLQZRLPHN-FRRDWIJNSA-N 3 1 225.380 1.330 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246204690 987600273 /nfs/dbraw/zinc/60/02/73/987600273.db2.gz KPLYMHLQZRLPHN-FRRDWIJNSA-N 3 1 225.380 1.330 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246223216 987619641 /nfs/dbraw/zinc/61/96/41/987619641.db2.gz QLDQYLFDGAMJJE-JOYOIKCWSA-N 2 1 220.320 1.015 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cncnc1 ZINC001246228548 987624743 /nfs/dbraw/zinc/62/47/43/987624743.db2.gz ILWGIRLOCAQODY-JFGNBEQYSA-N 2 1 220.320 1.268 20 0 BDADMP OCc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC001246232803 987630037 /nfs/dbraw/zinc/63/00/37/987630037.db2.gz PKPNYQKFTWBZRR-UHFFFAOYSA-N 2 1 220.316 1.021 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CCC(=O)CC2)C[NH2+]1 ZINC001246237350 987635024 /nfs/dbraw/zinc/63/50/24/987635024.db2.gz SDJOUROJVZKLOL-ONGXEEELSA-N 2 1 210.321 1.228 20 0 BDADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246236482 987635256 /nfs/dbraw/zinc/63/52/56/987635256.db2.gz LFLJSVXCGUNDHM-FQUUOJAGSA-N 3 1 239.407 1.767 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc32)CC[NH2+]1 ZINC001246237341 987635726 /nfs/dbraw/zinc/63/57/26/987635726.db2.gz SCAHWHUZFDIVSQ-KGYLQXTDSA-N 2 1 231.343 1.799 20 0 BDADMP CC1(C)C[C@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246247276 987647703 /nfs/dbraw/zinc/64/77/03/987647703.db2.gz SUPGLLPWOLMQMG-CHWSQXEVSA-N 3 1 239.407 1.639 20 0 BDADMP C(CC[NH2+][C@@H]1CCC[NH2+]C1)CC[NH+]1CCCC1 ZINC001246273792 987670464 /nfs/dbraw/zinc/67/04/64/987670464.db2.gz VZIBKNJTVKNZCE-CQSZACIVSA-N 3 1 239.407 1.594 20 0 BDADMP CCCC[C@H]1C[C@H]([NH2+][C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246278654 987672287 /nfs/dbraw/zinc/67/22/87/987672287.db2.gz LFLJSVXCGUNDHM-XDQVBPFNSA-N 3 1 239.407 1.767 20 0 BDADMP CCCC1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246297214 987691251 /nfs/dbraw/zinc/69/12/51/987691251.db2.gz FBNLBQAYXNAPJS-FKZOYECMSA-N 2 1 240.391 1.515 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246303350 987700650 /nfs/dbraw/zinc/70/06/50/987700650.db2.gz HNPSPSMMJSMMAP-XQQFMLRXSA-N 3 1 227.396 1.624 20 0 BDADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246309713 987709615 /nfs/dbraw/zinc/70/96/15/987709615.db2.gz SSJRWEWKSUUPNG-GXTWGEPZSA-N 2 1 242.407 1.617 20 0 BDADMP CC[C@@H](N)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001246312129 987716267 /nfs/dbraw/zinc/71/62/67/987716267.db2.gz GCLHASVIBJDRNQ-CHWSQXEVSA-N 2 1 229.412 1.824 20 0 BDADMP c1ccc2c(c1)OC(C[NH2+]C1CC[NH2+]CC1)O2 ZINC001246325894 987731472 /nfs/dbraw/zinc/73/14/72/987731472.db2.gz KFPZRJMFVKESLQ-UHFFFAOYSA-N 2 1 234.299 1.126 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@](C)(CO)c2ccccc2)CC[NH2+]1 ZINC001246326854 987731561 /nfs/dbraw/zinc/73/15/61/987731561.db2.gz OVJPATSXBJMSEF-SNPRPXQTSA-N 2 1 248.370 1.624 20 0 BDADMP C[C@](CO)([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246327704 987734569 /nfs/dbraw/zinc/73/45/69/987734569.db2.gz UGRWPVDEZUYRAJ-CQSZACIVSA-N 2 1 234.343 1.236 20 0 BDADMP OCCC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246332665 987740292 /nfs/dbraw/zinc/74/02/92/987740292.db2.gz GKCJNLWXTBYTQK-BPCQOVAHSA-N 2 1 226.364 1.269 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCC2CCC(O)CC2)C[NH2+]1 ZINC001246333253 987741508 /nfs/dbraw/zinc/74/15/08/987741508.db2.gz KGIGFMVYIWKUPS-RJZJGCCBSA-N 2 1 240.391 1.658 20 0 BDADMP Nc1cccc(CCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246348231 987755224 /nfs/dbraw/zinc/75/52/24/987755224.db2.gz ISPCRUVTSCFGII-AWEZNQCLSA-N 2 1 233.359 1.543 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246362403 987767548 /nfs/dbraw/zinc/76/75/48/987767548.db2.gz OXZCZHLZYHMZTH-XQQFMLRXSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246372383 987774723 /nfs/dbraw/zinc/77/47/23/987774723.db2.gz LKONMYBYIJAXBN-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(F)CCC2)CC[NH2+]1 ZINC001246380910 987775084 /nfs/dbraw/zinc/77/50/84/987775084.db2.gz ZHSCUHRPDMHQIY-VHSXEESVSA-N 2 1 200.301 1.609 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CCC2)CC[NH2+]1 ZINC001246380909 987775339 /nfs/dbraw/zinc/77/53/39/987775339.db2.gz ZHSCUHRPDMHQIY-UWVGGRQHSA-N 2 1 200.301 1.609 20 0 BDADMP c1ncn(C2CCC2)c1C[NH2+]C1CC[NH2+]CC1 ZINC001246391226 987780246 /nfs/dbraw/zinc/78/02/46/987780246.db2.gz GKYFUOOQSCFSHF-UHFFFAOYSA-N 2 1 234.347 1.450 20 0 BDADMP C[C@@H]1C[C@@H](NCc2[nH+]cn3ccccc23)CC[NH2+]1 ZINC001246397673 987784336 /nfs/dbraw/zinc/78/43/36/987784336.db2.gz SWHNTJIXWXHKOS-NEPJUHHUSA-N 2 1 244.342 1.564 20 0 BDADMP CCC1([NH2+][C@H]2CCC[NH2+]C2)CCOCC1 ZINC001246439988 987797513 /nfs/dbraw/zinc/79/75/13/987797513.db2.gz DXSVNLGUUDHZMW-NSHDSACASA-N 2 1 212.337 1.287 20 0 BDADMP C[C@H]1CC[C@@H](NC2C[NH+](C(C)(C)C)C2)C[NH2+]1 ZINC001246446228 987806741 /nfs/dbraw/zinc/80/67/41/987806741.db2.gz LCMVXJAPJJDFGI-WDEREUQCSA-N 2 1 225.380 1.199 20 0 BDADMP CCCC[C@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453869 987809244 /nfs/dbraw/zinc/80/92/44/987809244.db2.gz QNONZZBQGNXFCD-ZDUSSCGKSA-N 3 1 229.412 1.873 20 0 BDADMP CC[C@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453906 987810370 /nfs/dbraw/zinc/81/03/70/987810370.db2.gz RAIUOWJQYSMBTL-QWHCGFSZSA-N 3 1 227.396 1.483 20 0 BDADMP CC(C)NCC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246453349 987810644 /nfs/dbraw/zinc/81/06/44/987810644.db2.gz NMMRDHXTYNRYDN-ZDUSSCGKSA-N 2 1 239.407 1.496 20 0 BDADMP CCC[C@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246456101 987812127 /nfs/dbraw/zinc/81/21/27/987812127.db2.gz YWMVVKSRVUZMOL-LBPRGKRZSA-N 3 1 215.385 1.483 20 0 BDADMP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccn1 ZINC001246467580 987826961 /nfs/dbraw/zinc/82/69/61/987826961.db2.gz ADPRYSADTYBKMI-MDZLAQPJSA-N 2 1 249.358 1.881 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCN2)CC(C)(C)C1 ZINC001246489579 987843290 /nfs/dbraw/zinc/84/32/90/987843290.db2.gz NUVAMIKNPXZMFC-FRRDWIJNSA-N 2 1 239.407 1.352 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246487634 987843525 /nfs/dbraw/zinc/84/35/25/987843525.db2.gz HYNXWWYDHIXUBX-YNEHKIRRSA-N 2 1 227.396 1.352 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)CC[NH2+]1 ZINC001246506308 987859280 /nfs/dbraw/zinc/85/92/80/987859280.db2.gz PJXKPRNZMSULPQ-YPMHNXCESA-N 2 1 244.342 1.564 20 0 BDADMP [NH3+]C[C@@H](N[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC001246508279 987863548 /nfs/dbraw/zinc/86/35/48/987863548.db2.gz UBVPPTNSDVSDQS-LXTVHRRPSA-N 2 1 245.370 1.274 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246521897 987872107 /nfs/dbraw/zinc/87/21/07/987872107.db2.gz GTAADMCWZARFEB-ZDUSSCGKSA-N 3 1 239.407 1.450 20 0 BDADMP CCC[N@@H+](CCOC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246530932 987886559 /nfs/dbraw/zinc/88/65/59/987886559.db2.gz QKQLHFKBUFGZPQ-VXGBXAGGSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246543438 987908143 /nfs/dbraw/zinc/90/81/43/987908143.db2.gz NDRCEMVTPKJLHJ-YNEHKIRRSA-N 2 1 228.380 1.859 20 0 BDADMP CCC[C@H](CC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541926 987912048 /nfs/dbraw/zinc/91/20/48/987912048.db2.gz HRABNCKTGFPSKG-STQMWFEESA-N 2 1 228.380 1.741 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246549686 987933752 /nfs/dbraw/zinc/93/37/52/987933752.db2.gz HQHALNSEQRGOFV-HPCHECBXSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246549686 987933739 /nfs/dbraw/zinc/93/37/39/987933739.db2.gz HQHALNSEQRGOFV-HPCHECBXSA-N 3 1 239.407 1.432 20 0 BDADMP CCSC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246549857 987940030 /nfs/dbraw/zinc/94/00/30/987940030.db2.gz INZXIRUYDNIPRV-NEPJUHHUSA-N 2 1 246.420 1.304 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCSC2)CC1 ZINC001246550861 987942983 /nfs/dbraw/zinc/94/29/83/987942983.db2.gz ORTWYJBIEJHBSK-QWRGUYRKSA-N 2 1 232.368 1.645 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccccc1F ZINC001117953846 987968202 /nfs/dbraw/zinc/96/82/02/987968202.db2.gz RPSQWEXTOANFFI-SNVBAGLBSA-N 2 1 210.296 1.913 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246556044 987970718 /nfs/dbraw/zinc/97/07/18/987970718.db2.gz YHAAQZJQOSPJCF-FRRDWIJNSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[C@H]1C[NH3+] ZINC001246557398 987976819 /nfs/dbraw/zinc/97/68/19/987976819.db2.gz LMCASZDJVSFKQE-JZAZDWQXSA-N 3 1 249.402 1.352 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246559724 987982008 /nfs/dbraw/zinc/98/20/08/987982008.db2.gz PQCSGONUVLUNME-OGZKGVCFSA-N 2 1 212.312 1.702 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246559724 987982020 /nfs/dbraw/zinc/98/20/20/987982020.db2.gz PQCSGONUVLUNME-OGZKGVCFSA-N 2 1 212.312 1.702 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2)CC[C@@H]1C[NH3+] ZINC001246563479 988003821 /nfs/dbraw/zinc/00/38/21/988003821.db2.gz XDLFYILOEWKHAN-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCCNC2)CC[C@@H]1C[NH3+] ZINC001246563479 988003827 /nfs/dbraw/zinc/00/38/27/988003827.db2.gz XDLFYILOEWKHAN-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@H+](C2CCCCC2)C1 ZINC001246565688 988011642 /nfs/dbraw/zinc/01/16/42/988011642.db2.gz ZJTKWPZUIYOTCX-CYBMUJFWSA-N 2 1 226.364 1.495 20 0 BDADMP CC[N@@H+](CCCC(=O)OC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246565262 988017308 /nfs/dbraw/zinc/01/73/08/988017308.db2.gz PIKBHVFPWFXTAO-NWDGAFQWSA-N 2 1 242.363 1.402 20 0 BDADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567776 988030058 /nfs/dbraw/zinc/03/00/58/988030058.db2.gz MSVBPLAEEOJLNN-BFHYXJOUSA-N 2 1 242.407 1.985 20 0 BDADMP CCCC[C@@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246582296 988107481 /nfs/dbraw/zinc/10/74/81/988107481.db2.gz WITBRLAOQYTDDT-MELADBBJSA-N 2 1 242.407 1.843 20 0 BDADMP COC(=O)CC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246581976 988111771 /nfs/dbraw/zinc/11/17/71/988111771.db2.gz LTLJAXORMFMKDI-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@]1(CF)CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246581568 988115709 /nfs/dbraw/zinc/11/57/09/988115709.db2.gz YZADYIUBOUSEOD-NSHDSACASA-N 2 1 200.301 1.420 20 0 BDADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583028 988120993 /nfs/dbraw/zinc/12/09/93/988120993.db2.gz IJRSNOVVRGQGIN-RFQIPJPRSA-N 2 1 242.407 1.699 20 0 BDADMP CN1CC[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246583359 988129609 /nfs/dbraw/zinc/12/96/09/988129609.db2.gz JURDXDKFUBVOFZ-QWHCGFSZSA-N 2 1 225.380 1.141 20 0 BDADMP COC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246584330 988132163 /nfs/dbraw/zinc/13/21/63/988132163.db2.gz JACZXVMEAMFVJY-IFWUJCSASA-N 2 1 244.354 1.705 20 0 BDADMP COC1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246584330 988132175 /nfs/dbraw/zinc/13/21/75/988132175.db2.gz JACZXVMEAMFVJY-IFWUJCSASA-N 2 1 244.354 1.705 20 0 BDADMP N[C@@H]1CC[N@H+]([C@H]2CCCOCC2)CC[C@@H]1F ZINC001246586078 988134284 /nfs/dbraw/zinc/13/42/84/988134284.db2.gz LDUSSYYFUSQLTM-SDDRHHMPSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCOCC2)CC[C@@H]1F ZINC001246586078 988134302 /nfs/dbraw/zinc/13/43/02/988134302.db2.gz LDUSSYYFUSQLTM-SDDRHHMPSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCOCC2)CC[C@@H]1F ZINC001246586078 988134317 /nfs/dbraw/zinc/13/43/17/988134317.db2.gz LDUSSYYFUSQLTM-SDDRHHMPSA-N 2 1 230.327 1.317 20 0 BDADMP N[C@@H]1CC[N@H+]([C@H]2CCCOCC2)CC[C@H]1F ZINC001246586077 988136806 /nfs/dbraw/zinc/13/68/06/988136806.db2.gz LDUSSYYFUSQLTM-QJPTWQEYSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCOCC2)CC[C@H]1F ZINC001246586077 988136830 /nfs/dbraw/zinc/13/68/30/988136830.db2.gz LDUSSYYFUSQLTM-QJPTWQEYSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCOCC2)CC[C@H]1F ZINC001246586077 988136841 /nfs/dbraw/zinc/13/68/41/988136841.db2.gz LDUSSYYFUSQLTM-QJPTWQEYSA-N 2 1 230.327 1.317 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246584255 988137076 /nfs/dbraw/zinc/13/70/76/988137076.db2.gz IQKRQGPQRFMNAX-NOOOWODRSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246584255 988137094 /nfs/dbraw/zinc/13/70/94/988137094.db2.gz IQKRQGPQRFMNAX-NOOOWODRSA-N 2 1 214.328 1.936 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246586417 988146356 /nfs/dbraw/zinc/14/63/56/988146356.db2.gz QFNCUKLFWVLWIJ-GARJFASQSA-N 2 1 246.420 1.158 20 0 BDADMP CCCCC[C@H](CCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246587162 988147516 /nfs/dbraw/zinc/14/75/16/988147516.db2.gz VOZCRQFYGMHNEC-IHRRRGAJSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@H](Cc1ccco1)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589050 988151750 /nfs/dbraw/zinc/15/17/50/988151750.db2.gz QZEGGBTUZSQYGI-WXHSDQCUSA-N 2 1 240.322 1.972 20 0 BDADMP C[C@H](Cc1ccco1)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589050 988151757 /nfs/dbraw/zinc/15/17/57/988151757.db2.gz QZEGGBTUZSQYGI-WXHSDQCUSA-N 2 1 240.322 1.972 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246590259 988170645 /nfs/dbraw/zinc/17/06/45/988170645.db2.gz RZEMEXWOQOHHFO-FVCCEPFGSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246590259 988170653 /nfs/dbraw/zinc/17/06/53/988170653.db2.gz RZEMEXWOQOHHFO-FVCCEPFGSA-N 3 1 225.380 1.186 20 0 BDADMP CC1(C[NH3+])C[NH+]([C@@H]2CCc3ncsc3C2)C1 ZINC001246592153 988173318 /nfs/dbraw/zinc/17/33/18/988173318.db2.gz YLCKWQZMIKSVCJ-SECBINFHSA-N 2 1 237.372 1.281 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2CCCC2)CC[C@@H]1F ZINC001246594539 988191744 /nfs/dbraw/zinc/19/17/44/988191744.db2.gz WYEWHTZIFRPTIW-QWRGUYRKSA-N 2 1 200.301 1.690 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2CCCC2)CC[C@@H]1F ZINC001246594539 988191772 /nfs/dbraw/zinc/19/17/72/988191772.db2.gz WYEWHTZIFRPTIW-QWRGUYRKSA-N 2 1 200.301 1.690 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OC)cc1F ZINC001118294603 988196076 /nfs/dbraw/zinc/19/60/76/988196076.db2.gz DWBYYGHOTAKZHO-SNVBAGLBSA-N 2 1 240.322 1.922 20 0 BDADMP CC1(C[NH3+])C[NH+](C2CCC(F)(F)CC2)C1 ZINC001246603468 988213439 /nfs/dbraw/zinc/21/34/39/988213439.db2.gz YUFZKBSBQUVXHV-UHFFFAOYSA-N 2 1 218.291 1.845 20 0 BDADMP C1C[N@@H+](C2CC[NH2+]CC2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246609553 988226060 /nfs/dbraw/zinc/22/60/60/988226060.db2.gz ZMXKGTMXCTXOPJ-AWEZNQCLSA-N 2 1 237.391 1.347 20 0 BDADMP C1CN(C2CC[NH2+]CC2)[C@]2(C1)CCC[NH2+]CC2 ZINC001246609553 988226069 /nfs/dbraw/zinc/22/60/69/988226069.db2.gz ZMXKGTMXCTXOPJ-AWEZNQCLSA-N 2 1 237.391 1.347 20 0 BDADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246611066 988239140 /nfs/dbraw/zinc/23/91/40/988239140.db2.gz RHYBSJZVHBQDNX-HIFRSBDPSA-N 3 1 249.402 1.347 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618518 988255239 /nfs/dbraw/zinc/25/52/39/988255239.db2.gz LQLYAAPFAFINLG-CRWXNKLISA-N 2 1 237.391 1.201 20 0 BDADMP CCC[C@@H](CC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246622750 988266645 /nfs/dbraw/zinc/26/66/45/988266645.db2.gz INFYVVUMSBXFIE-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP [NH3+]CC1(F)CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246624038 988283734 /nfs/dbraw/zinc/28/37/34/988283734.db2.gz DGAMSWFGWMLUPN-FOSCPWQOSA-N 2 1 241.354 1.032 20 0 BDADMP CC[C@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246629708 988311702 /nfs/dbraw/zinc/31/17/02/988311702.db2.gz FZABYFZXUGTVPB-MROQNXINSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246640370 988336120 /nfs/dbraw/zinc/33/61/20/988336120.db2.gz TXSNCEUPALNLGU-MBJXGIAVSA-N 2 1 235.375 1.048 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)C[NH2+]1 ZINC001246644747 988357662 /nfs/dbraw/zinc/35/76/62/988357662.db2.gz YCNULUPZAXZMIG-CHWSQXEVSA-N 3 1 237.391 1.202 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCCC[N@H+]2[C@@H]1CCCOCC1 ZINC001246645834 988363244 /nfs/dbraw/zinc/36/32/44/988363244.db2.gz WFBPQKFILOLXSQ-ZIAGYGMSSA-N 2 1 238.375 1.774 20 0 BDADMP C1C[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246653950 988378374 /nfs/dbraw/zinc/37/83/74/988378374.db2.gz GARWNBFVOQGCQE-NEPJUHHUSA-N 2 1 208.349 1.860 20 0 BDADMP C1C[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246653950 988378388 /nfs/dbraw/zinc/37/83/88/988378388.db2.gz GARWNBFVOQGCQE-NEPJUHHUSA-N 2 1 208.349 1.860 20 0 BDADMP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3CCC[C@H]3C1)CCN2 ZINC001246655836 988382212 /nfs/dbraw/zinc/38/22/12/988382212.db2.gz LQBYEQZQJNVWLN-HZSPNIEDSA-N 2 1 249.402 1.202 20 0 BDADMP C[C@H]1CNCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246671078 988416635 /nfs/dbraw/zinc/41/66/35/988416635.db2.gz GKIXBDVUIHOWML-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1C[NH2+]CCN1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246671078 988416651 /nfs/dbraw/zinc/41/66/51/988416651.db2.gz GKIXBDVUIHOWML-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)C[NH2+]1 ZINC001246676567 988420653 /nfs/dbraw/zinc/42/06/53/988420653.db2.gz CHHJVLSZJPMFQU-WYUUTHIRSA-N 2 1 222.332 1.323 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)C[NH2+]1 ZINC001246676567 988420660 /nfs/dbraw/zinc/42/06/60/988420660.db2.gz CHHJVLSZJPMFQU-WYUUTHIRSA-N 2 1 222.332 1.323 20 0 BDADMP COC(=O)C1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246679642 988424875 /nfs/dbraw/zinc/42/48/75/988424875.db2.gz XKJIPIVUJXSURS-PWSUYJOCSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@@H]1C[C@H](N2C[C@H](C)[N@@H+](C)C[C@H]2C)CC[NH2+]1 ZINC001246687614 988433398 /nfs/dbraw/zinc/43/33/98/988433398.db2.gz AWJJZOAAYKLIJU-YVECIDJPSA-N 2 1 225.380 1.151 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H](C)NC[C@H]2C)CC1 ZINC001246691919 988437361 /nfs/dbraw/zinc/43/73/61/988437361.db2.gz RZSNQCKRMJITMK-ZFDZMSFRSA-N 2 1 225.380 1.199 20 0 BDADMP C[NH2+]C1CCC(N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC001246691919 988437370 /nfs/dbraw/zinc/43/73/70/988437370.db2.gz RZSNQCKRMJITMK-ZFDZMSFRSA-N 2 1 225.380 1.199 20 0 BDADMP CCO[C@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246785154 988459095 /nfs/dbraw/zinc/45/90/95/988459095.db2.gz JEZJELOOQDZJHB-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@@H+](C1CCN(C)CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246784933 988460377 /nfs/dbraw/zinc/46/03/77/988460377.db2.gz IQRWELCOLISLPY-GXTWGEPZSA-N 2 1 239.407 1.543 20 0 BDADMP CCN(C1CC[NH+](C)CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246784933 988460380 /nfs/dbraw/zinc/46/03/80/988460380.db2.gz IQRWELCOLISLPY-GXTWGEPZSA-N 2 1 239.407 1.543 20 0 BDADMP CCO[C@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246785152 988462514 /nfs/dbraw/zinc/46/25/14/988462514.db2.gz JEZJELOOQDZJHB-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246815274 988495995 /nfs/dbraw/zinc/49/59/95/988495995.db2.gz XADCKPSJFLOWMR-QWRGUYRKSA-N 2 1 228.336 1.012 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC001246824330 988519238 /nfs/dbraw/zinc/51/92/38/988519238.db2.gz MUBYZESXPPOLPH-MPEURRAXSA-N 2 1 225.380 1.199 20 0 BDADMP C[NH2+]C1CCC(N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001246824330 988519243 /nfs/dbraw/zinc/51/92/43/988519243.db2.gz MUBYZESXPPOLPH-MPEURRAXSA-N 2 1 225.380 1.199 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246843879 988555249 /nfs/dbraw/zinc/55/52/49/988555249.db2.gz WZLHJFLIQNHAHN-ZDUSSCGKSA-N 3 1 237.391 1.156 20 0 BDADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246843879 988555258 /nfs/dbraw/zinc/55/52/58/988555258.db2.gz WZLHJFLIQNHAHN-ZDUSSCGKSA-N 3 1 237.391 1.156 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845826 988555656 /nfs/dbraw/zinc/55/56/56/988555656.db2.gz MGABMFKQSOSDOM-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246850913 988561099 /nfs/dbraw/zinc/56/10/99/988561099.db2.gz KCHXQFSJADVJCY-RAIGVLPGSA-N 2 1 224.348 1.428 20 0 BDADMP CSCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246851389 988570892 /nfs/dbraw/zinc/57/08/92/988570892.db2.gz FQNISXQEQLKEJB-GARJFASQSA-N 2 1 214.378 1.551 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CCc3ncsc3C1)C2 ZINC001246851241 988570714 /nfs/dbraw/zinc/57/07/14/988570714.db2.gz FBWJRAYDEHXMSH-BREBYQMCSA-N 2 1 249.383 1.424 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246850915 988572678 /nfs/dbraw/zinc/57/26/78/988572678.db2.gz KCHXQFSJADVJCY-UHTWSYAYSA-N 2 1 224.348 1.428 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246859916 988587113 /nfs/dbraw/zinc/58/71/13/988587113.db2.gz MPAYCNIFCHUQNT-RQICVUQASA-N 2 1 238.375 1.471 20 0 BDADMP CCCCC[C@@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858769 988587175 /nfs/dbraw/zinc/58/71/75/988587175.db2.gz HEAWHSJKSQPQMA-HABKJSAYSA-N 2 1 240.391 1.861 20 0 BDADMP c1cc(O[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)ccn1 ZINC001246859501 988592946 /nfs/dbraw/zinc/59/29/46/988592946.db2.gz FQXOKMFLDDJCQJ-CQSZACIVSA-N 2 1 247.342 1.287 20 0 BDADMP c1cc(O[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)ccn1 ZINC001246859501 988592964 /nfs/dbraw/zinc/59/29/64/988592964.db2.gz FQXOKMFLDDJCQJ-CQSZACIVSA-N 2 1 247.342 1.287 20 0 BDADMP CCSC[C@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863333 988615426 /nfs/dbraw/zinc/61/54/26/988615426.db2.gz WYLRVTPVGUMSLK-WSMDXJOWSA-N 2 1 244.404 1.034 20 0 BDADMP CCSC[C@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863333 988615441 /nfs/dbraw/zinc/61/54/41/988615441.db2.gz WYLRVTPVGUMSLK-WSMDXJOWSA-N 2 1 244.404 1.034 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCC3(CC3)CC1)C2 ZINC001246868043 988626693 /nfs/dbraw/zinc/62/66/93/988626693.db2.gz JQGHVRKZWYCBOA-GWCFXTLKSA-N 2 1 206.333 1.742 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](C1CCC3(CC3)CC1)C2 ZINC001246868043 988626698 /nfs/dbraw/zinc/62/66/98/988626698.db2.gz JQGHVRKZWYCBOA-GWCFXTLKSA-N 2 1 206.333 1.742 20 0 BDADMP CC1(C)CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246871509 988632656 /nfs/dbraw/zinc/63/26/56/988632656.db2.gz QKSIXCJLIQRIHN-ZWNOBZJWSA-N 2 1 208.349 1.988 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246871509 988632661 /nfs/dbraw/zinc/63/26/61/988632661.db2.gz QKSIXCJLIQRIHN-ZWNOBZJWSA-N 2 1 208.349 1.988 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(N)C1 ZINC001246874065 988635090 /nfs/dbraw/zinc/63/50/90/988635090.db2.gz VRDKOGAYRNRJOP-BFHYXJOUSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(N)C1 ZINC001246874065 988635098 /nfs/dbraw/zinc/63/50/98/988635098.db2.gz VRDKOGAYRNRJOP-BFHYXJOUSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246874065 988635104 /nfs/dbraw/zinc/63/51/04/988635104.db2.gz VRDKOGAYRNRJOP-BFHYXJOUSA-N 3 1 239.407 1.530 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246874065 988635116 /nfs/dbraw/zinc/63/51/16/988635116.db2.gz VRDKOGAYRNRJOP-BFHYXJOUSA-N 3 1 239.407 1.530 20 0 BDADMP C[C@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)[C@@H](C)CN1 ZINC001246871926 988639351 /nfs/dbraw/zinc/63/93/51/988639351.db2.gz OYVVMNCESXTRRJ-RYUDHWBXSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1CN(C2CCC3(C[NH2+]C3)CC2)[C@@H](C)C[NH2+]1 ZINC001246871926 988639363 /nfs/dbraw/zinc/63/93/63/988639363.db2.gz OYVVMNCESXTRRJ-RYUDHWBXSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246878309 988645489 /nfs/dbraw/zinc/64/54/89/988645489.db2.gz KKZJVXUZRTZEKF-NDBYEHHHSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C)N1C1CCC2(C[NH2+]C2)CC1 ZINC001246881439 988650915 /nfs/dbraw/zinc/65/09/15/988650915.db2.gz DEKDITTXMZARRI-VXGBXAGGSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246887309 988655654 /nfs/dbraw/zinc/65/56/54/988655654.db2.gz LJVJYMMMKJAFPV-OLZOCXBDSA-N 2 1 237.391 1.201 20 0 BDADMP CCC[N@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246893211 988665268 /nfs/dbraw/zinc/66/52/68/988665268.db2.gz IPAVYXHHANQKQK-OCCSQVGLSA-N 3 1 239.407 1.591 20 0 BDADMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246893211 988665273 /nfs/dbraw/zinc/66/52/73/988665273.db2.gz IPAVYXHHANQKQK-OCCSQVGLSA-N 3 1 239.407 1.591 20 0 BDADMP C1C2CC1C[NH+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246892417 988665594 /nfs/dbraw/zinc/66/55/94/988665594.db2.gz CKHWOSXPQGLIJT-ACDMLXGOSA-N 2 1 206.333 1.611 20 0 BDADMP C[N@@H+](C1CC1)[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246906619 988678604 /nfs/dbraw/zinc/67/86/04/988678604.db2.gz COZPBKXBPPYZLO-PEZGSVAQSA-N 2 1 249.402 1.438 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246907395 988691411 /nfs/dbraw/zinc/69/14/11/988691411.db2.gz FSWUGDJQRXPPTM-HZSPNIEDSA-N 2 1 239.407 1.541 20 0 BDADMP C[N@@H+](CCO)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246911663 988695315 /nfs/dbraw/zinc/69/53/15/988695315.db2.gz IHPICQCMAQKWRM-GJZGRUSLSA-N 2 1 248.370 1.274 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)[C@@]2(C)CCCNC2)CC1 ZINC001246913527 988697362 /nfs/dbraw/zinc/69/73/62/988697362.db2.gz QVYDDMLTDMWIOZ-RUXDESIVSA-N 2 1 239.407 1.591 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@@]2(C)CCCNC2)CC1 ZINC001246913527 988697377 /nfs/dbraw/zinc/69/73/77/988697377.db2.gz QVYDDMLTDMWIOZ-RUXDESIVSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246915816 988707212 /nfs/dbraw/zinc/70/72/12/988707212.db2.gz FXLSFLHOEGCAPR-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246915816 988707235 /nfs/dbraw/zinc/70/72/35/988707235.db2.gz FXLSFLHOEGCAPR-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001246914507 988708827 /nfs/dbraw/zinc/70/88/27/988708827.db2.gz CQRCCLGPWVZOKZ-PNESKVBLSA-N 3 1 227.396 1.447 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCCC[C@@H]2N)CC1 ZINC001246918766 988714972 /nfs/dbraw/zinc/71/49/72/988714972.db2.gz MBPFZQHBLCULHN-CLRIEMFWSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)CC[NH2+]1 ZINC001246919849 988723762 /nfs/dbraw/zinc/72/37/62/988723762.db2.gz SCVXOZATYXWRHW-RQJABVFESA-N 2 1 237.391 1.153 20 0 BDADMP Cc1ncccc1C[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246919975 988726892 /nfs/dbraw/zinc/72/68/92/988726892.db2.gz XPIAJJBRXVYGIC-FZMZJTMJSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[N@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246919975 988726897 /nfs/dbraw/zinc/72/68/97/988726897.db2.gz XPIAJJBRXVYGIC-FZMZJTMJSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)CC[NH2+]1 ZINC001246919851 988730178 /nfs/dbraw/zinc/73/01/78/988730178.db2.gz SCVXOZATYXWRHW-XJFOESAGSA-N 2 1 237.391 1.153 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@@H]43)C[C@@H]21 ZINC001246918958 988731728 /nfs/dbraw/zinc/73/17/28/988731728.db2.gz LNBCQEQPNOROLN-JCIQBVFBSA-N 2 1 206.333 1.325 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@@H]43)C[C@@H]21 ZINC001246918958 988731740 /nfs/dbraw/zinc/73/17/40/988731740.db2.gz LNBCQEQPNOROLN-JCIQBVFBSA-N 2 1 206.333 1.325 20 0 BDADMP CC1(C)CC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC(C)(C)O1 ZINC001246923877 988739091 /nfs/dbraw/zinc/73/90/91/988739091.db2.gz ZZUONDVSORYTDD-CMPLNLGQSA-N 2 1 238.375 1.626 20 0 BDADMP CC1(C)CC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC(C)(C)O1 ZINC001246923877 988739101 /nfs/dbraw/zinc/73/91/01/988739101.db2.gz ZZUONDVSORYTDD-CMPLNLGQSA-N 2 1 238.375 1.626 20 0 BDADMP c1ccc2c(c1)CCC([N@@H+]1C[C@@H]3C[NH2+]C[C@H]31)CC2 ZINC001246922699 988739366 /nfs/dbraw/zinc/73/93/66/988739366.db2.gz WMYBHRZRIXDKQB-GOEBONIOSA-N 2 1 242.366 1.838 20 0 BDADMP c1ccc2c(c1)CCC([N@H+]1C[C@@H]3C[NH2+]C[C@H]31)CC2 ZINC001246922699 988739390 /nfs/dbraw/zinc/73/93/90/988739390.db2.gz WMYBHRZRIXDKQB-GOEBONIOSA-N 2 1 242.366 1.838 20 0 BDADMP CN1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246934332 988764909 /nfs/dbraw/zinc/76/49/09/988764909.db2.gz UIJBCRRYKCXRMK-BETUJISGSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH+]1CCC([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246934332 988764919 /nfs/dbraw/zinc/76/49/19/988764919.db2.gz UIJBCRRYKCXRMK-BETUJISGSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246934332 988764928 /nfs/dbraw/zinc/76/49/28/988764928.db2.gz UIJBCRRYKCXRMK-BETUJISGSA-N 3 1 237.391 1.012 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC001324288725 988783811 /nfs/dbraw/zinc/78/38/11/988783811.db2.gz ORDDQCVOUBFNQE-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](N)C[N@@H+](C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246981314 988796263 /nfs/dbraw/zinc/79/62/63/988796263.db2.gz PVLKXKFOVXVVPX-HIFPTAJRSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])CN(C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246981314 988796277 /nfs/dbraw/zinc/79/62/77/988796277.db2.gz PVLKXKFOVXVVPX-HIFPTAJRSA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246979456 988810653 /nfs/dbraw/zinc/81/06/53/988810653.db2.gz ALQPQSMXWWNHJL-WDEREUQCSA-N 2 1 202.342 1.469 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2CF)CC[NH2+]1 ZINC001246990067 988819711 /nfs/dbraw/zinc/81/97/11/988819711.db2.gz UQMYQJHLUZKUFH-GMTAPVOTSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2CF)CC[NH2+]1 ZINC001246990067 988819718 /nfs/dbraw/zinc/81/97/18/988819718.db2.gz UQMYQJHLUZKUFH-GMTAPVOTSA-N 2 1 200.301 1.561 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)C(C)(C)C1 ZINC001246994572 988828110 /nfs/dbraw/zinc/82/81/10/988828110.db2.gz PVWKATVHCKEKMK-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C1=C2NCC[N@H+]([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)[C@@H]2CCC1 ZINC001246997169 988828726 /nfs/dbraw/zinc/82/87/26/988828726.db2.gz QYIJUYKPRCKSBD-UKTARXLSSA-N 2 1 247.386 1.326 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017137 988843035 /nfs/dbraw/zinc/84/30/35/988843035.db2.gz ZVSNLINUDRTWSX-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017137 988843038 /nfs/dbraw/zinc/84/30/38/988843038.db2.gz ZVSNLINUDRTWSX-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+](C)C(C)C ZINC001119297965 988898187 /nfs/dbraw/zinc/89/81/87/988898187.db2.gz XOGOGPPUQMEYKG-LBPRGKRZSA-N 2 1 243.395 1.077 20 0 BDADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)cc1 ZINC001247507223 988906227 /nfs/dbraw/zinc/90/62/27/988906227.db2.gz JUUACZQTRRSYRP-NSHDSACASA-N 2 1 246.314 1.784 20 0 BDADMP Cc1ccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)cc1 ZINC001247507219 988908712 /nfs/dbraw/zinc/90/87/12/988908712.db2.gz JUUACZQTRRSYRP-LLVKDONJSA-N 2 1 246.314 1.784 20 0 BDADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccncc2)no1 ZINC001247701666 988993071 /nfs/dbraw/zinc/99/30/71/988993071.db2.gz ROMHJFADFJMIAQ-SNVBAGLBSA-N 2 1 247.302 1.260 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]cc2)C1 ZINC001515204876 988999158 /nfs/dbraw/zinc/99/91/58/988999158.db2.gz LRGTXZVONOONBB-CYBMUJFWSA-N 2 1 233.359 1.893 20 0 BDADMP COCC[N@@H+]1[C@H](C)CN(c2cc[nH+]cc2)C[C@@H]1C ZINC001515223362 989006270 /nfs/dbraw/zinc/00/62/70/989006270.db2.gz SUVIFLRLJKAHQA-BETUJISGSA-N 2 1 249.358 1.627 20 0 BDADMP COC(=O)c1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC001325268698 989139529 /nfs/dbraw/zinc/13/95/29/989139529.db2.gz TWGZYPQZARTEFQ-UHFFFAOYSA-N 2 1 236.315 1.300 20 0 BDADMP C[NH2+][C@H](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC001325744784 989247899 /nfs/dbraw/zinc/24/78/99/989247899.db2.gz VJDXWCHEBRZYDS-AAVRWANBSA-N 2 1 239.407 1.447 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC001325744784 989247910 /nfs/dbraw/zinc/24/79/10/989247910.db2.gz VJDXWCHEBRZYDS-AAVRWANBSA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC001325744784 989247920 /nfs/dbraw/zinc/24/79/20/989247920.db2.gz VJDXWCHEBRZYDS-AAVRWANBSA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cccc(C(=O)OC)c1 ZINC001326074587 989364814 /nfs/dbraw/zinc/36/48/14/989364814.db2.gz FQYQTVBLFDQSLE-UHFFFAOYSA-N 2 1 236.315 1.172 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC001326688531 989653902 /nfs/dbraw/zinc/65/39/02/989653902.db2.gz SOBVYCRYRQUVEM-IJLUTSLNSA-N 2 1 241.379 1.103 20 0 BDADMP C[N@H+](Cc1ncccc1O)CC1CC[NH+](C)CC1 ZINC001138395047 990933840 /nfs/dbraw/zinc/93/38/40/990933840.db2.gz RGYPQZUTPKGYDN-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP C[C@H]1C[C@H]([N@H+](CC[NH3+])CCO)C[C@@H](C)C1 ZINC001258152232 991038930 /nfs/dbraw/zinc/03/89/30/991038930.db2.gz UFTDJKLRIMTJQT-GDNZZTSVSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](CC[NH3+])CCO)C[C@@H](C)C1 ZINC001258152232 991038957 /nfs/dbraw/zinc/03/89/57/991038957.db2.gz UFTDJKLRIMTJQT-GDNZZTSVSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+]CCC[N@@H+](C)CCO ZINC001258184613 991087427 /nfs/dbraw/zinc/08/74/27/991087427.db2.gz GUDCRJLQDBZDIH-LBPRGKRZSA-N 2 1 240.347 1.114 20 0 BDADMP CSCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258227232 991156836 /nfs/dbraw/zinc/15/68/36/991156836.db2.gz WVBYAKHIZAAOKM-SDDRHHMPSA-N 2 1 228.405 1.621 20 0 BDADMP CSCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258227232 991156845 /nfs/dbraw/zinc/15/68/45/991156845.db2.gz WVBYAKHIZAAOKM-SDDRHHMPSA-N 2 1 228.405 1.621 20 0 BDADMP CSCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258227232 991156851 /nfs/dbraw/zinc/15/68/51/991156851.db2.gz WVBYAKHIZAAOKM-SDDRHHMPSA-N 2 1 228.405 1.621 20 0 BDADMP C[C@@H](CC1CC1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258473004 991443261 /nfs/dbraw/zinc/44/32/61/991443261.db2.gz LMHFYLULGVAHKO-NSHDSACASA-N 2 1 219.332 1.930 20 0 BDADMP C[C@@H](CC1CC1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258473004 991443270 /nfs/dbraw/zinc/44/32/70/991443270.db2.gz LMHFYLULGVAHKO-NSHDSACASA-N 2 1 219.332 1.930 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]C(C)(C)C[NH3+] ZINC001258610324 991530928 /nfs/dbraw/zinc/53/09/28/991530928.db2.gz JXOCPHGLFMBJOB-JTQLQIEISA-N 2 1 207.321 1.340 20 0 BDADMP CCC[NH+]1CCC([NH2+]CCOC(C)=O)CC1 ZINC001258771018 991729604 /nfs/dbraw/zinc/72/96/04/991729604.db2.gz SRRXDHLTNLBWSM-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP CCC[NH+]1CCC([N@H+](C)[C@H]2CCCOC2)CC1 ZINC001258777681 991743093 /nfs/dbraw/zinc/74/30/93/991743093.db2.gz CYAYUTRQMLPCMR-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)[C@H]2CCCOC2)CC1 ZINC001258777681 991743099 /nfs/dbraw/zinc/74/30/99/991743099.db2.gz CYAYUTRQMLPCMR-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]cc2)C[C@H](C)O1 ZINC001319288136 991831479 /nfs/dbraw/zinc/83/14/79/991831479.db2.gz XLDUPQPBRYDTML-BETUJISGSA-N 2 1 249.358 1.415 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@](N)(CC)CO ZINC001258902319 991895134 /nfs/dbraw/zinc/89/51/34/991895134.db2.gz RWRCYUHNPJVTSW-OLZOCXBDSA-N 2 1 245.411 1.144 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001258906988 991897040 /nfs/dbraw/zinc/89/70/40/991897040.db2.gz CKFBERQHXUPHQG-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC001569145610 992329350 /nfs/dbraw/zinc/32/93/50/992329350.db2.gz MOCSQWZVZKMUEL-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC001569145610 992329360 /nfs/dbraw/zinc/32/93/60/992329360.db2.gz MOCSQWZVZKMUEL-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC001569145610 992329374 /nfs/dbraw/zinc/32/93/74/992329374.db2.gz MOCSQWZVZKMUEL-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)[C@H]1CC1(F)F ZINC001474757335 992530666 /nfs/dbraw/zinc/53/06/66/992530666.db2.gz UVXAZTYAPGTOLK-RNWYCLNJSA-N 2 1 244.329 1.960 20 0 BDADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC001573655691 992666892 /nfs/dbraw/zinc/66/68/92/992666892.db2.gz XZPRRXMPZRVLTG-UTUOFQBUSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)CCO1 ZINC001574104753 992804897 /nfs/dbraw/zinc/80/48/97/992804897.db2.gz KCONLBOEABLFLF-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C([NH2+][C@@H]1CCCOC1)[C@H]1CCCCC[NH2+]1 ZINC001574799963 992896339 /nfs/dbraw/zinc/89/63/39/992896339.db2.gz GGUOBKGFHSUTQC-VXGBXAGGSA-N 2 1 212.337 1.287 20 0 BDADMP CC(=O)C[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001574979772 992958273 /nfs/dbraw/zinc/95/82/73/992958273.db2.gz CZINCNIZMMNBBZ-RYUDHWBXSA-N 2 1 210.321 1.026 20 0 BDADMP CC(=O)C[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001574979772 992958280 /nfs/dbraw/zinc/95/82/80/992958280.db2.gz CZINCNIZMMNBBZ-RYUDHWBXSA-N 2 1 210.321 1.026 20 0 BDADMP CC(C)(C)[N@@H+](CCCCCC[NH3+])CC(N)=O ZINC001575142665 992998597 /nfs/dbraw/zinc/99/85/97/992998597.db2.gz ZRQZVTHWUFBZHI-UHFFFAOYSA-N 2 1 229.368 1.091 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[nH+]1 ZINC001262678473 993022328 /nfs/dbraw/zinc/02/23/28/993022328.db2.gz BBQZBJOSOQNQIQ-MNOVXSKESA-N 2 1 247.346 1.406 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[nH+]1 ZINC001262678473 993022336 /nfs/dbraw/zinc/02/23/36/993022336.db2.gz BBQZBJOSOQNQIQ-MNOVXSKESA-N 2 1 247.346 1.406 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)Nc1cc[nH+]c(N)n1 ZINC001262696334 993035808 /nfs/dbraw/zinc/03/58/08/993035808.db2.gz CIZQMIARHJYUDM-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]c(N)n1 ZINC001262696334 993035812 /nfs/dbraw/zinc/03/58/12/993035812.db2.gz CIZQMIARHJYUDM-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001575470832 993051364 /nfs/dbraw/zinc/05/13/64/993051364.db2.gz DRIFULHFHNBIPY-QWRGUYRKSA-N 2 1 216.369 1.356 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC001575473638 993053789 /nfs/dbraw/zinc/05/37/89/993053789.db2.gz VXZVVSBKMRWQTP-VXGBXAGGSA-N 2 1 216.369 1.356 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001575555119 993072491 /nfs/dbraw/zinc/07/24/91/993072491.db2.gz PSPDFPXTYFOTLF-YNEHKIRRSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)CC[N@@H+]1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001575574496 993075220 /nfs/dbraw/zinc/07/52/20/993075220.db2.gz LYDSVLRVBGESRU-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[N@H+]1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001575574496 993075225 /nfs/dbraw/zinc/07/52/25/993075225.db2.gz LYDSVLRVBGESRU-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575738221 993102046 /nfs/dbraw/zinc/10/20/46/993102046.db2.gz SEJKQRKQTRYIIU-SDDRHHMPSA-N 2 1 242.363 1.386 20 0 BDADMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC001575966871 993143797 /nfs/dbraw/zinc/14/37/97/993143797.db2.gz ISMZDJRJXUOTIT-CHWSQXEVSA-N 3 1 241.423 1.694 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001576155711 993197048 /nfs/dbraw/zinc/19/70/48/993197048.db2.gz BOVWXTWFTJUBIG-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@]12CCCOC2 ZINC001576155711 993197051 /nfs/dbraw/zinc/19/70/51/993197051.db2.gz BOVWXTWFTJUBIG-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@](O)(C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(F)F ZINC001576257628 993239138 /nfs/dbraw/zinc/23/91/38/993239138.db2.gz DTCUIFVHDSIEHA-DLOVCJGASA-N 2 1 248.317 1.063 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001576263134 993241255 /nfs/dbraw/zinc/24/12/55/993241255.db2.gz FVNOENRFSIUPOI-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[NH+]1CCC(NCC2C[NH+](C)C2)CC1 ZINC000379435978 993243006 /nfs/dbraw/zinc/24/30/06/993243006.db2.gz HFHNHSFMJGUCML-UHFFFAOYSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001576272196 993247190 /nfs/dbraw/zinc/24/71/90/993247190.db2.gz JTWLDPXXIJJKHW-CIUDSAMLSA-N 2 1 242.285 1.263 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+](CC)C1CC1 ZINC000379953463 993296527 /nfs/dbraw/zinc/29/65/27/993296527.db2.gz LCGJUODUDHPTEX-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](CC)C1CC1 ZINC000379953463 993296533 /nfs/dbraw/zinc/29/65/33/993296533.db2.gz LCGJUODUDHPTEX-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC[C@@H]1O ZINC001576457807 993309979 /nfs/dbraw/zinc/30/99/79/993309979.db2.gz OQQWPILWBICNRZ-TUAOUCFPSA-N 2 1 226.364 1.207 20 0 BDADMP O[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000380062443 993312393 /nfs/dbraw/zinc/31/23/93/993312393.db2.gz YLSCBRIMIOZUDV-YEORSEQZSA-N 2 1 238.375 1.506 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H]([NH3+])CCC(C)(C)C ZINC001576572452 993351167 /nfs/dbraw/zinc/35/11/67/993351167.db2.gz LOHLKVNSKYKUKV-FRRDWIJNSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@H]([NH3+])CCC(C)(C)C ZINC001576572452 993351172 /nfs/dbraw/zinc/35/11/72/993351172.db2.gz LOHLKVNSKYKUKV-FRRDWIJNSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)CC[NH2+]1 ZINC001576598264 993363555 /nfs/dbraw/zinc/36/35/55/993363555.db2.gz NBCNMMFCCPFLQP-DGAVXFQQSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)C[NH2+]1 ZINC001576671334 993390876 /nfs/dbraw/zinc/39/08/76/993390876.db2.gz YMGNCUABMZESPS-CDGCEXEKSA-N 2 1 248.374 1.254 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)C[NH2+]1 ZINC001576671336 993391831 /nfs/dbraw/zinc/39/18/31/993391831.db2.gz YMGNCUABMZESPS-ZMJPVWNMSA-N 2 1 248.374 1.254 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000381389760 993392056 /nfs/dbraw/zinc/39/20/56/993392056.db2.gz NTYKRDFNCCTRQQ-XABDTUPHSA-N 2 1 224.348 1.379 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CC2(CO)CCC2)CC1 ZINC000381649286 993412262 /nfs/dbraw/zinc/41/22/62/993412262.db2.gz CREHQJDTPDERPB-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799782 993424033 /nfs/dbraw/zinc/42/40/33/993424033.db2.gz CNZPXQFCLVDGIT-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1C[N@H+](CCC2CC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576800785 993429533 /nfs/dbraw/zinc/42/95/33/993429533.db2.gz MABBRWPSCHLNSL-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576800785 993429540 /nfs/dbraw/zinc/42/95/40/993429540.db2.gz MABBRWPSCHLNSL-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1C[N@@H+](CC(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC001576800832 993429668 /nfs/dbraw/zinc/42/96/68/993429668.db2.gz MXLBUXVZYMAFCQ-QWRGUYRKSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001576806511 993429992 /nfs/dbraw/zinc/42/99/92/993429992.db2.gz GMHQTLMTTJWVMS-UVLXDEKHSA-N 2 1 238.375 1.341 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001576806511 993430000 /nfs/dbraw/zinc/43/00/00/993430000.db2.gz GMHQTLMTTJWVMS-UVLXDEKHSA-N 2 1 238.375 1.341 20 0 BDADMP C[C@@H]1Cc2n[nH]cc2C[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC001576861798 993439551 /nfs/dbraw/zinc/43/95/51/993439551.db2.gz HYAZJZCTQNDBIM-NEPJUHHUSA-N 2 1 248.374 1.404 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000382201830 993443168 /nfs/dbraw/zinc/44/31/68/993443168.db2.gz FIHFJJKWHKBEQY-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP CC[N@@H+](C[C@@H](O)CN1CCCC1)C(C)(C)C ZINC000382198176 993443666 /nfs/dbraw/zinc/44/36/66/993443666.db2.gz YTZQXPUPCRTFDH-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000382198176 993443669 /nfs/dbraw/zinc/44/36/69/993443669.db2.gz YTZQXPUPCRTFDH-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000382198176 993443673 /nfs/dbraw/zinc/44/36/73/993443673.db2.gz YTZQXPUPCRTFDH-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC001576967739 993467591 /nfs/dbraw/zinc/46/75/91/993467591.db2.gz WTICSYKAABKKBH-TUAOUCFPSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576963347 993469692 /nfs/dbraw/zinc/46/96/92/993469692.db2.gz YDMFMXHENHKABQ-WUHRBBMRSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576963347 993469696 /nfs/dbraw/zinc/46/96/96/993469696.db2.gz YDMFMXHENHKABQ-WUHRBBMRSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H](C[C@@H](C)CO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001577044130 993488131 /nfs/dbraw/zinc/48/81/31/993488131.db2.gz OZOBNUHEZSCTTA-KXUCPTDWSA-N 2 1 238.322 1.356 20 0 BDADMP CCC(CC)(C[NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]1C ZINC001577052138 993489454 /nfs/dbraw/zinc/48/94/54/993489454.db2.gz JSIVBUDEDLZHRD-NWDGAFQWSA-N 2 1 227.396 1.434 20 0 BDADMP CCC(CC)(C[NH3+])C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC001577052138 993489459 /nfs/dbraw/zinc/48/94/59/993489459.db2.gz JSIVBUDEDLZHRD-NWDGAFQWSA-N 2 1 227.396 1.434 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC ZINC001577089092 993492662 /nfs/dbraw/zinc/49/26/62/993492662.db2.gz JYAITAJTBGUJHC-IJLUTSLNSA-N 2 1 242.363 1.306 20 0 BDADMP CC[C@@H](C[NH2+][C@]12CCC[C@H]1[NH2+]CC2)OC ZINC001577088943 993499717 /nfs/dbraw/zinc/49/97/17/993499717.db2.gz HUMWEFOEZIHVCT-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]CC[C@]2(C)O)[C@@H]1C ZINC001577262967 993573299 /nfs/dbraw/zinc/57/32/99/993573299.db2.gz NHFJWVRDXVHQLP-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1CC[N@H+]([C@@H]2C[NH2+]CC[C@]2(C)O)[C@@H]1C ZINC001577262967 993573314 /nfs/dbraw/zinc/57/33/14/993573314.db2.gz NHFJWVRDXVHQLP-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1[NH3+] ZINC001577279779 993579631 /nfs/dbraw/zinc/57/96/31/993579631.db2.gz PYLQONCPZVKXFC-NWDGAFQWSA-N 2 1 235.331 1.346 20 0 BDADMP CCC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001577368962 993620185 /nfs/dbraw/zinc/62/01/85/993620185.db2.gz MQWXCMQWLALHES-FRRDWIJNSA-N 2 1 226.364 1.351 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001577368962 993620191 /nfs/dbraw/zinc/62/01/91/993620191.db2.gz MQWXCMQWLALHES-FRRDWIJNSA-N 2 1 226.364 1.351 20 0 BDADMP CCCC[C@@H](C[NH3+])NC(=O)C[N@@H+](C)C1CCC1 ZINC001577390796 993637049 /nfs/dbraw/zinc/63/70/49/993637049.db2.gz XIOSOYCAZNHEMU-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000385149298 993651783 /nfs/dbraw/zinc/65/17/83/993651783.db2.gz YPQRTIYPABYNTM-VXGBXAGGSA-N 2 1 249.358 1.629 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH2+]C(C)C ZINC001577445330 993661528 /nfs/dbraw/zinc/66/15/28/993661528.db2.gz NHDXERAWESYWAB-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(C)(C)C[NH3+] ZINC001577510307 993676504 /nfs/dbraw/zinc/67/65/04/993676504.db2.gz JLZVARVCTXBGLQ-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC(C)(C)[NH3+] ZINC001577510288 993677093 /nfs/dbraw/zinc/67/70/93/993677093.db2.gz IVVMVMBVVKONCJ-LLVKDONJSA-N 2 1 243.395 1.350 20 0 BDADMP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC001577554092 993687115 /nfs/dbraw/zinc/68/71/15/993687115.db2.gz AWJBIPAAWAVNFO-NWDGAFQWSA-N 2 1 243.395 1.219 20 0 BDADMP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC001577554093 993688079 /nfs/dbraw/zinc/68/80/79/993688079.db2.gz AWJBIPAAWAVNFO-RYUDHWBXSA-N 2 1 243.395 1.219 20 0 BDADMP CCCOC(=O)[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001577574871 993690154 /nfs/dbraw/zinc/69/01/54/993690154.db2.gz WVXWCNZZFBYKRM-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC001577654370 993706582 /nfs/dbraw/zinc/70/65/82/993706582.db2.gz BURBCMQXETWICV-OLZOCXBDSA-N 2 1 227.396 1.243 20 0 BDADMP CCN(C)[C@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001577654370 993706597 /nfs/dbraw/zinc/70/65/97/993706597.db2.gz BURBCMQXETWICV-OLZOCXBDSA-N 2 1 227.396 1.243 20 0 BDADMP CCN(C)[C@H]1CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001577654370 993706603 /nfs/dbraw/zinc/70/66/03/993706603.db2.gz BURBCMQXETWICV-OLZOCXBDSA-N 2 1 227.396 1.243 20 0 BDADMP CCN(C)[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001577654774 993709316 /nfs/dbraw/zinc/70/93/16/993709316.db2.gz HDTJDOUTHXBACV-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+](C)[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC001577654774 993709327 /nfs/dbraw/zinc/70/93/27/993709327.db2.gz HDTJDOUTHXBACV-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC001577654774 993709338 /nfs/dbraw/zinc/70/93/38/993709338.db2.gz HDTJDOUTHXBACV-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CCN(C)[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577655147 993710324 /nfs/dbraw/zinc/71/03/24/993710324.db2.gz SLWBYHGCRTXMMH-YNEHKIRRSA-N 2 1 225.380 1.140 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(C[C@H](C[NH3+])C(C)C)C1 ZINC001577654372 993712257 /nfs/dbraw/zinc/71/22/57/993712257.db2.gz BURBCMQXETWICV-STQMWFEESA-N 2 1 227.396 1.243 20 0 BDADMP CCN(C)[C@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001577654372 993712268 /nfs/dbraw/zinc/71/22/68/993712268.db2.gz BURBCMQXETWICV-STQMWFEESA-N 2 1 227.396 1.243 20 0 BDADMP CCN(C)[C@H]1CC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001577654372 993712277 /nfs/dbraw/zinc/71/22/77/993712277.db2.gz BURBCMQXETWICV-STQMWFEESA-N 2 1 227.396 1.243 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C2CCC(F)(F)CC2)C1 ZINC000390269898 993782675 /nfs/dbraw/zinc/78/26/75/993782675.db2.gz JKDRDSKWBIMNQS-SECBINFHSA-N 2 1 218.291 1.987 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2CCC(F)(F)CC2)C1 ZINC000390269898 993782683 /nfs/dbraw/zinc/78/26/83/993782683.db2.gz JKDRDSKWBIMNQS-SECBINFHSA-N 2 1 218.291 1.987 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccnc2)C1 ZINC000390513937 993792031 /nfs/dbraw/zinc/79/20/31/993792031.db2.gz CYRYYNCXXQYGLD-LBPRGKRZSA-N 2 1 219.332 1.642 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H](C)O ZINC000700785189 993852205 /nfs/dbraw/zinc/85/22/05/993852205.db2.gz CNPYVRJUUMGGJZ-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)O[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000701658404 993898048 /nfs/dbraw/zinc/89/80/48/993898048.db2.gz RUMKHUJNUQGUOZ-GFCCVEGCSA-N 2 1 212.337 1.238 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000702665523 994031313 /nfs/dbraw/zinc/03/13/13/994031313.db2.gz YRGAJGOXYZUFFC-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC001333597331 994479654 /nfs/dbraw/zinc/47/96/54/994479654.db2.gz QAKUCIVQMIJFMU-GFCCVEGCSA-N 2 1 249.358 1.363 20 0 BDADMP CCC(CC)(CC)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358281390 168316618 /nfs/dbraw/zinc/31/66/18/168316618.db2.gz BBWKRNWFGXFEEX-CQSZACIVSA-N 2 1 242.407 1.859 20 0 BDADMP CCC(CC)(CC)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358281390 168316619 /nfs/dbraw/zinc/31/66/19/168316619.db2.gz BBWKRNWFGXFEEX-CQSZACIVSA-N 2 1 242.407 1.859 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)CCO ZINC000649869687 398155068 /nfs/dbraw/zinc/15/50/68/398155068.db2.gz JZVRHUUZFXVPGI-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)CCO ZINC000649869687 398155071 /nfs/dbraw/zinc/15/50/71/398155071.db2.gz JZVRHUUZFXVPGI-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCOCC3)CC[N@H+]2C1 ZINC000157465147 136213805 /nfs/dbraw/zinc/21/38/05/136213805.db2.gz KVJXTTURKVJTNR-RDBSUJKOSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)CCO ZINC000649869688 398155598 /nfs/dbraw/zinc/15/55/98/398155598.db2.gz JZVRHUUZFXVPGI-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)CCO ZINC000649869688 398155600 /nfs/dbraw/zinc/15/56/00/398155600.db2.gz JZVRHUUZFXVPGI-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000422906078 398156896 /nfs/dbraw/zinc/15/68/96/398156896.db2.gz UECOTXCTSUZOLA-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000422906078 398156899 /nfs/dbraw/zinc/15/68/99/398156899.db2.gz UECOTXCTSUZOLA-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)C[C@H]1COCCO1 ZINC000649340475 398157667 /nfs/dbraw/zinc/15/76/67/398157667.db2.gz MFYPRCPWVDTLIE-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1COCCO1 ZINC000649340475 398157671 /nfs/dbraw/zinc/15/76/71/398157671.db2.gz MFYPRCPWVDTLIE-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP OCCC1(C[NH2+][C@@H]2CCC[NH2+]C2)CCCC1 ZINC000415088678 398158561 /nfs/dbraw/zinc/15/85/61/398158561.db2.gz WRDXNNPDSHNEMB-GFCCVEGCSA-N 2 1 226.364 1.271 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000390454129 398173921 /nfs/dbraw/zinc/17/39/21/398173921.db2.gz CCYCBOBTIPCGMF-DGCLKSJQSA-N 2 1 208.349 1.860 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000379915690 398174458 /nfs/dbraw/zinc/17/44/58/398174458.db2.gz OFTGJVNKGUCUIH-MWLCHTKSSA-N 2 1 248.317 1.219 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000379915690 398174464 /nfs/dbraw/zinc/17/44/64/398174464.db2.gz OFTGJVNKGUCUIH-MWLCHTKSSA-N 2 1 248.317 1.219 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000379915691 398174728 /nfs/dbraw/zinc/17/47/28/398174728.db2.gz OFTGJVNKGUCUIH-ONGXEEELSA-N 2 1 248.317 1.219 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000379915691 398174733 /nfs/dbraw/zinc/17/47/33/398174733.db2.gz OFTGJVNKGUCUIH-ONGXEEELSA-N 2 1 248.317 1.219 20 0 BDADMP CCC(CC)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169125852 488171049 /nfs/dbraw/zinc/17/10/49/488171049.db2.gz GNXKKLAWUVXWDC-PWSUYJOCSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000385956366 398193677 /nfs/dbraw/zinc/19/36/77/398193677.db2.gz DNZAVBPGNZRGEJ-LBELIVKGSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]1OCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000380588365 398201420 /nfs/dbraw/zinc/20/14/20/398201420.db2.gz SCBNHUFZRDZPPM-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000069720656 398213712 /nfs/dbraw/zinc/21/37/12/398213712.db2.gz IPWLRGWHFNBUEC-NSHDSACASA-N 2 1 222.336 1.123 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000069720656 398213717 /nfs/dbraw/zinc/21/37/17/398213717.db2.gz IPWLRGWHFNBUEC-NSHDSACASA-N 2 1 222.336 1.123 20 0 BDADMP Cc1cc(C)n(CC[NH2+][C@H](C[NH3+])C(C)(C)C)n1 ZINC000649419993 398218414 /nfs/dbraw/zinc/21/84/14/398218414.db2.gz LPGFGJKVGUZERI-GFCCVEGCSA-N 2 1 238.379 1.463 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)C1 ZINC000576368570 365579996 /nfs/dbraw/zinc/57/99/96/365579996.db2.gz AZUFOLSIVXYRQC-VXGBXAGGSA-N 2 1 228.380 1.454 20 0 BDADMP Cc1cc(NCCC[NH+]2CCOCC2)cc[nH+]1 ZINC000162716851 178160183 /nfs/dbraw/zinc/16/01/83/178160183.db2.gz RWGFZUYAUAMDEK-UHFFFAOYSA-N 2 1 235.331 1.524 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000649413774 398212267 /nfs/dbraw/zinc/21/22/67/398212267.db2.gz CNNHBELQXNEWFO-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP Cc1cc(NC[C@H]2CCCC[NH2+]2)nc(C)[nH+]1 ZINC000044493384 178168869 /nfs/dbraw/zinc/16/88/69/178168869.db2.gz BQVHSSPIEMGUQZ-LLVKDONJSA-N 2 1 220.320 1.647 20 0 BDADMP Cc1cc(NC[C@H]2CC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000037756836 178169674 /nfs/dbraw/zinc/16/96/74/178169674.db2.gz HRPZTGZQVDDOQY-LLVKDONJSA-N 2 1 220.320 1.457 20 0 BDADMP Cc1cc(NC[C@H]2CC[N@H+](C)C2)nc(C)[nH+]1 ZINC000037756836 178169677 /nfs/dbraw/zinc/16/96/77/178169677.db2.gz HRPZTGZQVDDOQY-LLVKDONJSA-N 2 1 220.320 1.457 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000386809865 398220548 /nfs/dbraw/zinc/22/05/48/398220548.db2.gz RPIGLNPZVMFZJJ-MFKMUULPSA-N 2 1 236.363 1.169 20 0 BDADMP CCC(CC)C[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000042317395 168348365 /nfs/dbraw/zinc/34/83/65/168348365.db2.gz DTZBPXPBLWTVSS-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP Cc1c[nH]nc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421366092 192333688 /nfs/dbraw/zinc/33/36/88/192333688.db2.gz COCSJZZZBUUEHT-UHFFFAOYSA-N 2 1 236.363 1.681 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)no1 ZINC000285379517 178247177 /nfs/dbraw/zinc/24/71/77/178247177.db2.gz WIDZVYQOBMTMFR-NSHDSACASA-N 2 1 235.331 1.896 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)no1 ZINC000285379517 178247179 /nfs/dbraw/zinc/24/71/79/178247179.db2.gz WIDZVYQOBMTMFR-NSHDSACASA-N 2 1 235.331 1.896 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000576475717 365606098 /nfs/dbraw/zinc/60/60/98/365606098.db2.gz LBPNVGYGOVTSFM-VXGBXAGGSA-N 2 1 237.347 1.634 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000576475716 365606575 /nfs/dbraw/zinc/60/65/75/365606575.db2.gz LBPNVGYGOVTSFM-RYUDHWBXSA-N 2 1 237.347 1.634 20 0 BDADMP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[C@@H]1[NH3+] ZINC000576570203 365625950 /nfs/dbraw/zinc/62/59/50/365625950.db2.gz JGXBYNMARQTHQW-WPRPVWTQSA-N 2 1 231.303 1.131 20 0 BDADMP c1n[nH]cc1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000381315070 398253136 /nfs/dbraw/zinc/25/31/36/398253136.db2.gz RSNVFLNLYQVHKI-UHFFFAOYSA-N 2 1 248.374 1.416 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000168886703 538946278 /nfs/dbraw/zinc/94/62/78/538946278.db2.gz VCTRMASHTYLBAU-VXGBXAGGSA-N 2 1 247.342 1.050 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000381543974 398262414 /nfs/dbraw/zinc/26/24/14/398262414.db2.gz JIIGLTRAFJCVOM-UPJWGTAASA-N 2 1 208.349 1.718 20 0 BDADMP CCOC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000166948792 361858846 /nfs/dbraw/zinc/85/88/46/361858846.db2.gz IABKCXQDCWIKOU-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632692 136241417 /nfs/dbraw/zinc/24/14/17/136241417.db2.gz IONBJLKQMMHLOA-CHWSQXEVSA-N 2 1 248.374 1.540 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632692 136241418 /nfs/dbraw/zinc/24/14/18/136241418.db2.gz IONBJLKQMMHLOA-CHWSQXEVSA-N 2 1 248.374 1.540 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632692 136241419 /nfs/dbraw/zinc/24/14/19/136241419.db2.gz IONBJLKQMMHLOA-CHWSQXEVSA-N 2 1 248.374 1.540 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634218 136241684 /nfs/dbraw/zinc/24/16/84/136241684.db2.gz NSQXKOAFABTUCH-STQMWFEESA-N 2 1 248.374 1.242 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000335634100 136241792 /nfs/dbraw/zinc/24/17/92/136241792.db2.gz MFWBZADRNJSCRE-CABCVRRESA-N 2 1 245.370 1.903 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO2)CC[N@H+]1C ZINC000248057238 323015946 /nfs/dbraw/zinc/01/59/46/323015946.db2.gz XNDPVXOEVNKIOQ-IJLUTSLNSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248159250 323016399 /nfs/dbraw/zinc/01/63/99/323016399.db2.gz RWEZERINVUKHGS-CYDGBPFRSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000309779312 342895756 /nfs/dbraw/zinc/89/57/56/342895756.db2.gz MMVASZNSTJYOQI-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000300408857 529417068 /nfs/dbraw/zinc/41/70/68/529417068.db2.gz CRJKPTLMDMLVAO-UTUOFQBUSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381266255 398326131 /nfs/dbraw/zinc/32/61/31/398326131.db2.gz UETXPGHJHXPRMT-WCQYABFASA-N 2 1 228.380 1.610 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381266255 398326134 /nfs/dbraw/zinc/32/61/34/398326134.db2.gz UETXPGHJHXPRMT-WCQYABFASA-N 2 1 228.380 1.610 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(CCn3ccnc3)CC[C@@H]21 ZINC000162290302 349644987 /nfs/dbraw/zinc/64/49/87/349644987.db2.gz OVOMDPKRDOYILN-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3ccnc3)CC[C@@H]21 ZINC000162290302 349644988 /nfs/dbraw/zinc/64/49/88/349644988.db2.gz OVOMDPKRDOYILN-KGLIPLIRSA-N 3 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3ccnc3)CC[C@@H]21 ZINC000162290302 349644990 /nfs/dbraw/zinc/64/49/90/349644990.db2.gz OVOMDPKRDOYILN-KGLIPLIRSA-N 3 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3ccnc3)CC[C@@H]21 ZINC000162290302 349644992 /nfs/dbraw/zinc/64/49/92/349644992.db2.gz OVOMDPKRDOYILN-KGLIPLIRSA-N 3 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3ccnc3)CC[C@@H]21 ZINC000162290302 349644993 /nfs/dbraw/zinc/64/49/93/349644993.db2.gz OVOMDPKRDOYILN-KGLIPLIRSA-N 3 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCN(CC[NH2+]CC2(F)CC2)CC1(C)C ZINC000562457037 323020585 /nfs/dbraw/zinc/02/05/85/323020585.db2.gz TUDJLUHUUIMGKX-UHFFFAOYSA-N 2 1 243.370 1.104 20 0 BDADMP CCOC[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000313231856 259331577 /nfs/dbraw/zinc/33/15/77/259331577.db2.gz NYGKGTSKSYROTR-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C(C1CC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916575 398335249 /nfs/dbraw/zinc/33/52/49/398335249.db2.gz UEOSLVOQZQCYDK-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCOC1 ZINC000678073241 488192086 /nfs/dbraw/zinc/19/20/86/488192086.db2.gz OGYTXIUZDUWFEF-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000678073241 488192090 /nfs/dbraw/zinc/19/20/90/488192090.db2.gz OGYTXIUZDUWFEF-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000678073241 488192092 /nfs/dbraw/zinc/19/20/92/488192092.db2.gz OGYTXIUZDUWFEF-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000335638449 536740229 /nfs/dbraw/zinc/74/02/29/536740229.db2.gz REYIEJSQVIRIMD-YWPUVAFDSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1CCOCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000162449074 349710332 /nfs/dbraw/zinc/71/03/32/349710332.db2.gz KHFURNXUZYBHTJ-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000162449074 349710335 /nfs/dbraw/zinc/71/03/35/349710335.db2.gz KHFURNXUZYBHTJ-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP CN1CCO[C@H](CSC[C@H]2CC[N@@H+](C)C2)C1 ZINC000518183726 259338414 /nfs/dbraw/zinc/33/84/14/259338414.db2.gz LMADOBUQPMJMSO-RYUDHWBXSA-N 2 1 244.404 1.002 20 0 BDADMP C[N@@H+]1CC[C@H](CSC[C@@H]2C[NH+](C)CCO2)C1 ZINC000518183726 259338415 /nfs/dbraw/zinc/33/84/15/259338415.db2.gz LMADOBUQPMJMSO-RYUDHWBXSA-N 2 1 244.404 1.002 20 0 BDADMP C[N@H+]1CC[C@H](CSC[C@@H]2C[NH+](C)CCO2)C1 ZINC000518183726 259338416 /nfs/dbraw/zinc/33/84/16/259338416.db2.gz LMADOBUQPMJMSO-RYUDHWBXSA-N 2 1 244.404 1.002 20 0 BDADMP C[NH+]1CC[C@H](CSC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000518183726 259338417 /nfs/dbraw/zinc/33/84/17/259338417.db2.gz LMADOBUQPMJMSO-RYUDHWBXSA-N 2 1 244.404 1.002 20 0 BDADMP C[NH+]1CC[C@H](CSC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000518183726 259338418 /nfs/dbraw/zinc/33/84/18/259338418.db2.gz LMADOBUQPMJMSO-RYUDHWBXSA-N 2 1 244.404 1.002 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCCCCC1 ZINC000310550697 259344519 /nfs/dbraw/zinc/34/45/19/259344519.db2.gz UKJOZNPLEPVHOE-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCCCCC1 ZINC000310550697 259344520 /nfs/dbraw/zinc/34/45/20/259344520.db2.gz UKJOZNPLEPVHOE-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCCCCC1 ZINC000310550697 259344521 /nfs/dbraw/zinc/34/45/21/259344521.db2.gz UKJOZNPLEPVHOE-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCCCCC1 ZINC000310550697 259344522 /nfs/dbraw/zinc/34/45/22/259344522.db2.gz UKJOZNPLEPVHOE-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)CC[N@H+]1C ZINC000247234280 343072335 /nfs/dbraw/zinc/07/23/35/343072335.db2.gz YMZJWUJAHKSKON-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])CCC(C)C)n1 ZINC000634557138 362047786 /nfs/dbraw/zinc/04/77/86/362047786.db2.gz OBPUDYUTAFUCBK-ZJUUUORDSA-N 2 1 240.351 1.656 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000309976934 343124315 /nfs/dbraw/zinc/12/43/15/343124315.db2.gz UCESTZQMBBOTJC-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000309976934 343124317 /nfs/dbraw/zinc/12/43/17/343124317.db2.gz UCESTZQMBBOTJC-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000131427375 343183984 /nfs/dbraw/zinc/18/39/84/343183984.db2.gz FBOFILPEWOWKMQ-QWRGUYRKSA-N 2 1 235.331 1.407 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(O)c1 ZINC000168849680 343210617 /nfs/dbraw/zinc/21/06/17/343210617.db2.gz MODTZMYBIHXRTG-JQWIXIFHSA-N 2 1 220.316 1.704 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(O)c1 ZINC000168849680 343210618 /nfs/dbraw/zinc/21/06/18/343210618.db2.gz MODTZMYBIHXRTG-JQWIXIFHSA-N 2 1 220.316 1.704 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C1Cc2ccccc2C1 ZINC000087472158 136281492 /nfs/dbraw/zinc/28/14/92/136281492.db2.gz AJQGJKVKQAACBH-UHFFFAOYSA-N 2 1 218.344 1.695 20 0 BDADMP CCC[N@@H+](CCCF)C1CC[NH2+]CC1 ZINC000088026314 136283919 /nfs/dbraw/zinc/28/39/19/136283919.db2.gz ULJFEWONYIJGOO-UHFFFAOYSA-N 2 1 202.317 1.810 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335636504 136301179 /nfs/dbraw/zinc/30/11/79/136301179.db2.gz MBSJGRGYVAYKSC-WTIISPKJSA-N 3 1 225.380 1.092 20 0 BDADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CCCOCC1)C2 ZINC000335673746 136317514 /nfs/dbraw/zinc/31/75/14/136317514.db2.gz GYXXDIOMCSNIJD-GHMZBOCLSA-N 2 1 235.331 1.426 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000166220789 136310684 /nfs/dbraw/zinc/31/06/84/136310684.db2.gz KYMIKIXLQDAFNU-BDAKNGLRSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000166220789 136310685 /nfs/dbraw/zinc/31/06/85/136310685.db2.gz KYMIKIXLQDAFNU-BDAKNGLRSA-N 2 1 240.269 1.234 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)CC[C@H]1CCOC1 ZINC000349383255 136344193 /nfs/dbraw/zinc/34/41/93/136344193.db2.gz KOFKXEYWIYNCAF-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000380159859 343425660 /nfs/dbraw/zinc/42/56/60/343425660.db2.gz AKUPBCSDUTXZPN-WHOHXGKFSA-N 2 1 212.337 1.094 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000380159859 343425662 /nfs/dbraw/zinc/42/56/62/343425662.db2.gz AKUPBCSDUTXZPN-WHOHXGKFSA-N 2 1 212.337 1.094 20 0 BDADMP CCC[N@@H+](C[C@@H](O)CN(C)CC)C(C)C ZINC000379930487 365743264 /nfs/dbraw/zinc/74/32/64/365743264.db2.gz VXIMJFZKMHSULQ-LBPRGKRZSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000379930487 365743270 /nfs/dbraw/zinc/74/32/70/365743270.db2.gz VXIMJFZKMHSULQ-LBPRGKRZSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C(C)C ZINC000379930487 365743274 /nfs/dbraw/zinc/74/32/74/365743274.db2.gz VXIMJFZKMHSULQ-LBPRGKRZSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)C ZINC000379930487 365743276 /nfs/dbraw/zinc/74/32/76/365743276.db2.gz VXIMJFZKMHSULQ-LBPRGKRZSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)C ZINC000379930487 365743283 /nfs/dbraw/zinc/74/32/83/365743283.db2.gz VXIMJFZKMHSULQ-LBPRGKRZSA-N 2 1 216.369 1.419 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000167125800 136368131 /nfs/dbraw/zinc/36/81/31/136368131.db2.gz SIUSUDKEISOSDJ-IJLUTSLNSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1ncccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261542463 136374527 /nfs/dbraw/zinc/37/45/27/136374527.db2.gz CFZBVOCMPVACCU-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1ncccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261542463 136374528 /nfs/dbraw/zinc/37/45/28/136374528.db2.gz CFZBVOCMPVACCU-AWEZNQCLSA-N 2 1 233.359 1.964 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000083551672 343490097 /nfs/dbraw/zinc/49/00/97/343490097.db2.gz OQNOJFUZVYHXNA-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH3+])C12CCCC2 ZINC000082945697 343472880 /nfs/dbraw/zinc/47/28/80/343472880.db2.gz QKUBZEFABWBVEL-GHMZBOCLSA-N 2 1 212.337 1.273 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCCC1 ZINC000379941999 365756134 /nfs/dbraw/zinc/75/61/34/365756134.db2.gz ZFHDTBZRXFREAG-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCCC1 ZINC000379941999 365756140 /nfs/dbraw/zinc/75/61/40/365756140.db2.gz ZFHDTBZRXFREAG-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCCC1 ZINC000379941999 365756143 /nfs/dbraw/zinc/75/61/43/365756143.db2.gz ZFHDTBZRXFREAG-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCCC1 ZINC000379941999 365756147 /nfs/dbraw/zinc/75/61/47/365756147.db2.gz ZFHDTBZRXFREAG-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP NCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000084014247 343513601 /nfs/dbraw/zinc/51/36/01/343513601.db2.gz GRRABQLVJPWXAY-CYBMUJFWSA-N 2 1 222.307 1.791 20 0 BDADMP Cc1ccccc1C[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000084011165 343513678 /nfs/dbraw/zinc/51/36/78/343513678.db2.gz WOUYUFVCOGNHQU-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP Cc1ccccc1C[C@H]1CCC[N@H+]1CC[NH3+] ZINC000084011165 343513681 /nfs/dbraw/zinc/51/36/81/343513681.db2.gz WOUYUFVCOGNHQU-CQSZACIVSA-N 2 1 218.344 1.961 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000310533194 343527639 /nfs/dbraw/zinc/52/76/39/343527639.db2.gz ONNNGKYBOGMUMO-REWJHTLYSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC(C)(C)CC1 ZINC000310566402 343538398 /nfs/dbraw/zinc/53/83/98/343538398.db2.gz XSCLNBFGLDAROF-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000310566402 343538401 /nfs/dbraw/zinc/53/84/01/343538401.db2.gz XSCLNBFGLDAROF-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC(C)(C)CC1 ZINC000310566402 343538402 /nfs/dbraw/zinc/53/84/02/343538402.db2.gz XSCLNBFGLDAROF-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000309064540 349829810 /nfs/dbraw/zinc/82/98/10/349829810.db2.gz YOJJJLQBFCOQFU-WDEREUQCSA-N 2 1 212.337 1.238 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000309064540 349829812 /nfs/dbraw/zinc/82/98/12/349829812.db2.gz YOJJJLQBFCOQFU-WDEREUQCSA-N 2 1 212.337 1.238 20 0 BDADMP CCOCCC[N@H+]1CCc2nc[nH]c2C1 ZINC000625436211 343733818 /nfs/dbraw/zinc/73/38/18/343733818.db2.gz DGRMDOPSDBVQAD-UHFFFAOYSA-N 2 1 209.293 1.194 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000050228015 259369952 /nfs/dbraw/zinc/36/99/52/259369952.db2.gz CDFVGTNACUWEMC-GFCCVEGCSA-N 2 1 202.301 1.187 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2Cc3ccccc3C2)C1 ZINC000050228015 259369953 /nfs/dbraw/zinc/36/99/53/259369953.db2.gz CDFVGTNACUWEMC-GFCCVEGCSA-N 2 1 202.301 1.187 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000570409592 323058859 /nfs/dbraw/zinc/05/88/59/323058859.db2.gz BYRITCWYTHYDHS-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262753970 349863172 /nfs/dbraw/zinc/86/31/72/349863172.db2.gz OEAUQWQCVKNWER-NWDGAFQWSA-N 2 1 241.379 1.055 20 0 BDADMP FC[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000218546920 343793168 /nfs/dbraw/zinc/79/31/68/343793168.db2.gz LDLNCQATVFWQEP-SNVBAGLBSA-N 2 1 200.301 1.420 20 0 BDADMP C[N@H+](CC[NH2+]CC[C@@H]1CCOC1)C1CCCC1 ZINC000400521255 529917061 /nfs/dbraw/zinc/91/70/61/529917061.db2.gz CSUGLLOQCPGGKO-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](CC[NH2+]CC[C@@H]1CCOC1)C1CCCC1 ZINC000400521255 529917062 /nfs/dbraw/zinc/91/70/62/529917062.db2.gz CSUGLLOQCPGGKO-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CCn1cc(CC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000621775571 343899967 /nfs/dbraw/zinc/89/99/67/343899967.db2.gz SAPPDESVNQCIMK-WCQYABFASA-N 2 1 236.363 1.115 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)CCO1 ZINC000401866955 343916614 /nfs/dbraw/zinc/91/66/14/343916614.db2.gz IDIMYNOMYPLQHP-AAEUAGOBSA-N 2 1 237.347 1.510 20 0 BDADMP Cc1cc(C)c(Cn2cc(CC[NH3+])nn2)c(C)[nH+]1 ZINC000641187951 362258366 /nfs/dbraw/zinc/25/83/66/362258366.db2.gz ZTPMJTDBEDBUDT-UHFFFAOYSA-N 2 1 245.330 1.148 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000135087773 343932553 /nfs/dbraw/zinc/93/25/53/343932553.db2.gz CAXDQOZPOIJOLC-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CSCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000070543629 343952488 /nfs/dbraw/zinc/95/24/88/343952488.db2.gz LWRKTBUTIHNXKT-NXEZZACHSA-N 2 1 200.351 1.033 20 0 BDADMP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733532 344113287 /nfs/dbraw/zinc/11/32/87/344113287.db2.gz HMUPIXVRVMAEJG-CHWSQXEVSA-N 2 1 241.423 1.585 20 0 BDADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000130943962 344225551 /nfs/dbraw/zinc/22/55/51/344225551.db2.gz ZGMDOTDAWXQROL-BZPMIXESSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000130943962 344225553 /nfs/dbraw/zinc/22/55/53/344225553.db2.gz ZGMDOTDAWXQROL-BZPMIXESSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000130943962 344225555 /nfs/dbraw/zinc/22/55/55/344225555.db2.gz ZGMDOTDAWXQROL-BZPMIXESSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CC[N@@H+]1C ZINC000090721290 344273211 /nfs/dbraw/zinc/27/32/11/344273211.db2.gz GUYUXYMFHUVLJL-WCQYABFASA-N 2 1 234.343 1.965 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CC[N@H+]1C ZINC000090721290 344273213 /nfs/dbraw/zinc/27/32/13/344273213.db2.gz GUYUXYMFHUVLJL-WCQYABFASA-N 2 1 234.343 1.965 20 0 BDADMP COc1ccccc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000221184757 344324266 /nfs/dbraw/zinc/32/42/66/344324266.db2.gz VLKUUFBTWNAQAT-SNVBAGLBSA-N 2 1 220.316 1.565 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)(C)C ZINC000380971617 344462190 /nfs/dbraw/zinc/46/21/90/344462190.db2.gz AQRNUSYIZXOSAP-NEPJUHHUSA-N 2 1 230.396 1.665 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)(C)C ZINC000380971617 344462191 /nfs/dbraw/zinc/46/21/91/344462191.db2.gz AQRNUSYIZXOSAP-NEPJUHHUSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000380971617 344462192 /nfs/dbraw/zinc/46/21/92/344462192.db2.gz AQRNUSYIZXOSAP-NEPJUHHUSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000380971617 344462193 /nfs/dbraw/zinc/46/21/93/344462193.db2.gz AQRNUSYIZXOSAP-NEPJUHHUSA-N 2 1 230.396 1.665 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000158323725 344597179 /nfs/dbraw/zinc/59/71/79/344597179.db2.gz KRIPSXDDAYIKFF-AAEUAGOBSA-N 2 1 249.358 1.649 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000158323725 344597180 /nfs/dbraw/zinc/59/71/80/344597180.db2.gz KRIPSXDDAYIKFF-AAEUAGOBSA-N 2 1 249.358 1.649 20 0 BDADMP CN(C)c1nc(N2CCC[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000077216098 344818520 /nfs/dbraw/zinc/81/85/20/344818520.db2.gz JJSYELADEIPBRT-LLVKDONJSA-N 2 1 249.362 1.073 20 0 BDADMP Nc1cccc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000583392068 344875576 /nfs/dbraw/zinc/87/55/76/344875576.db2.gz SNBGKTIMBVWGJS-UHFFFAOYSA-N 2 1 245.370 1.972 20 0 BDADMP CC[N@H+]1CCN(Cc2nc(C)c(C)[nH]2)C[C@H]1C ZINC000628168258 344881846 /nfs/dbraw/zinc/88/18/46/344881846.db2.gz PBDOZQAHZZBMRO-SNVBAGLBSA-N 2 1 236.363 1.553 20 0 BDADMP Cc1c[nH]c(CN2CC[N@H+](C)CC2(C)C)n1 ZINC000628177247 344905904 /nfs/dbraw/zinc/90/59/04/344905904.db2.gz QPANQXCMKFKNQN-UHFFFAOYSA-N 2 1 222.336 1.244 20 0 BDADMP COc1ccccc1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995303 345184425 /nfs/dbraw/zinc/18/44/25/345184425.db2.gz AESUEEJMFKNKMS-UHFFFAOYSA-N 2 1 246.354 1.579 20 0 BDADMP Cc1noc(C)c1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995402 345184581 /nfs/dbraw/zinc/18/45/81/345184581.db2.gz CUPVOBWQXLEIDM-UHFFFAOYSA-N 2 1 235.331 1.176 20 0 BDADMP c1ccc(COCC[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000634995724 345185326 /nfs/dbraw/zinc/18/53/26/345185326.db2.gz NDDVCQIQECLCGB-UHFFFAOYSA-N 2 1 246.354 1.545 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1C ZINC000156264824 345143238 /nfs/dbraw/zinc/14/32/38/345143238.db2.gz YNPXCVUJEZCOCF-JHJVBQTASA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1C ZINC000156264824 345143241 /nfs/dbraw/zinc/14/32/41/345143241.db2.gz YNPXCVUJEZCOCF-JHJVBQTASA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1C ZINC000156264824 345143242 /nfs/dbraw/zinc/14/32/42/345143242.db2.gz YNPXCVUJEZCOCF-JHJVBQTASA-N 2 1 237.391 1.295 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000634997670 345193342 /nfs/dbraw/zinc/19/33/42/345193342.db2.gz QEWXQWOXVFHYQF-UPJWGTAASA-N 3 1 225.380 1.031 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000634997670 345193343 /nfs/dbraw/zinc/19/33/43/345193343.db2.gz QEWXQWOXVFHYQF-UPJWGTAASA-N 3 1 225.380 1.031 20 0 BDADMP CC(C)n1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000634998813 345199545 /nfs/dbraw/zinc/19/95/45/345199545.db2.gz LJQTWUQROAZAOH-WCQYABFASA-N 2 1 236.363 1.491 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000634998813 345199548 /nfs/dbraw/zinc/19/95/48/345199548.db2.gz LJQTWUQROAZAOH-WCQYABFASA-N 2 1 236.363 1.491 20 0 BDADMP COc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000635000148 345201867 /nfs/dbraw/zinc/20/18/67/345201867.db2.gz ICFHSHMHMGJWRE-DGCLKSJQSA-N 2 1 234.343 1.722 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000635004289 345207808 /nfs/dbraw/zinc/20/78/08/345207808.db2.gz NXZMJUYKXSSPIN-WDEREUQCSA-N 2 1 237.347 1.696 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635005655 345209827 /nfs/dbraw/zinc/20/98/27/345209827.db2.gz WESDZFCPPQPDFH-GRYCIOLGSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007129 345211420 /nfs/dbraw/zinc/21/14/20/345211420.db2.gz ADTYDHRGEOJVPH-JHJVBQTASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007129 345211424 /nfs/dbraw/zinc/21/14/24/345211424.db2.gz ADTYDHRGEOJVPH-JHJVBQTASA-N 2 1 239.407 1.304 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635008116 345216214 /nfs/dbraw/zinc/21/62/14/345216214.db2.gz ZNJZNKMHKXELRK-QNWJLWSRSA-N 2 1 226.364 1.673 20 0 BDADMP COc1ccccc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000115307990 345676574 /nfs/dbraw/zinc/67/65/74/345676574.db2.gz VLKUUFBTWNAQAT-JTQLQIEISA-N 2 1 220.316 1.565 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000214121028 345741182 /nfs/dbraw/zinc/74/11/82/345741182.db2.gz ZJKQFXOQAWCRJJ-YGRLFVJLSA-N 2 1 249.358 1.568 20 0 BDADMP CC[N@H+]1CCC[C@H](CNCc2cnc(C)o2)C1 ZINC000628210301 345811143 /nfs/dbraw/zinc/81/11/43/345811143.db2.gz PPNJTBIKWWMGOV-GFCCVEGCSA-N 2 1 237.347 1.805 20 0 BDADMP CC[NH+]1CCC(CN[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400761737 345782718 /nfs/dbraw/zinc/78/27/18/345782718.db2.gz YIBBXKNTLTTXIN-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1nc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)[nH]c1C ZINC000628240547 346202298 /nfs/dbraw/zinc/20/22/98/346202298.db2.gz JJEHKQCIBNUJSQ-ZJUUUORDSA-N 2 1 236.363 1.551 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000624110463 346266289 /nfs/dbraw/zinc/26/62/89/346266289.db2.gz ZKEUZGOPVMAZDY-BFHYXJOUSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000624110463 346266290 /nfs/dbraw/zinc/26/62/90/346266290.db2.gz ZKEUZGOPVMAZDY-BFHYXJOUSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000641747573 362674735 /nfs/dbraw/zinc/67/47/35/362674735.db2.gz LKVFVMOQIGRLLC-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000641747573 362674741 /nfs/dbraw/zinc/67/47/41/362674741.db2.gz LKVFVMOQIGRLLC-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[N@@H+]1CC[C@H](NCc2ccc(=O)[nH]c2)C1 ZINC000392771209 349962095 /nfs/dbraw/zinc/96/20/95/349962095.db2.gz WOFKOECZIPTQCD-LBPRGKRZSA-N 2 1 235.331 1.361 20 0 BDADMP Cn1cncc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000641798968 362746712 /nfs/dbraw/zinc/74/67/12/362746712.db2.gz RTWNPMNIGWMLHC-YUTCNCBUSA-N 2 1 248.374 1.022 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013724 349970783 /nfs/dbraw/zinc/97/07/83/349970783.db2.gz FLHPXKHEBATCSN-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000641803187 362759940 /nfs/dbraw/zinc/75/99/40/362759940.db2.gz BBIGKLNUTCNKOP-RYUDHWBXSA-N 2 1 247.342 1.341 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000641803185 362760342 /nfs/dbraw/zinc/76/03/42/362760342.db2.gz BBIGKLNUTCNKOP-NEPJUHHUSA-N 2 1 247.342 1.341 20 0 BDADMP [NH3+]CC12CCC(CC1)C[N@@H+]2CCc1cn[nH]c1 ZINC000641817956 362769173 /nfs/dbraw/zinc/76/91/73/362769173.db2.gz AFRMOQDJTHSMSC-UHFFFAOYSA-N 2 1 234.347 1.156 20 0 BDADMP [NH3+]CC12CCC(CC1)C[N@H+]2CCc1cn[nH]c1 ZINC000641817956 362769181 /nfs/dbraw/zinc/76/91/81/362769181.db2.gz AFRMOQDJTHSMSC-UHFFFAOYSA-N 2 1 234.347 1.156 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187285843 346565420 /nfs/dbraw/zinc/56/54/20/346565420.db2.gz JFGGHWWMLBSGSR-VXGBXAGGSA-N 2 1 214.353 1.152 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C=CCCC1)C1CC1 ZINC000562991449 346718485 /nfs/dbraw/zinc/71/84/85/346718485.db2.gz OSBCUJZMHGJAFR-WCQYABFASA-N 2 1 224.348 1.140 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C=CCCC1)C1CC1 ZINC000562991449 346718488 /nfs/dbraw/zinc/71/84/88/346718488.db2.gz OSBCUJZMHGJAFR-WCQYABFASA-N 2 1 224.348 1.140 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C[C@H](C)COC ZINC000188080586 346740900 /nfs/dbraw/zinc/74/09/00/346740900.db2.gz SXFGCVQRCYNRTD-LBPRGKRZSA-N 2 1 216.369 1.590 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C[C@H](C)COC ZINC000188080586 346740903 /nfs/dbraw/zinc/74/09/03/346740903.db2.gz SXFGCVQRCYNRTD-LBPRGKRZSA-N 2 1 216.369 1.590 20 0 BDADMP COc1ccc(CCC[N@@H+](C)CCC[NH3+])cc1 ZINC000382051309 347110607 /nfs/dbraw/zinc/11/06/07/347110607.db2.gz BLLCFOWMPAPHAH-UHFFFAOYSA-N 2 1 236.359 1.908 20 0 BDADMP Cc1cccc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107572806 179168733 /nfs/dbraw/zinc/16/87/33/179168733.db2.gz IHKDXQISHCYOOC-OKILXGFUSA-N 2 1 246.354 1.525 20 0 BDADMP Cn1c[nH+]cc1CCN1CCCCC[C@@H]([NH3+])C1 ZINC000641823552 362773245 /nfs/dbraw/zinc/77/32/45/362773245.db2.gz RPJPDGFANLKUKW-GFCCVEGCSA-N 2 1 236.363 1.166 20 0 BDADMP CC[NH+]1CCC(N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000310073757 347226368 /nfs/dbraw/zinc/22/63/68/347226368.db2.gz AIWUQYHLNQOLQS-ZDUSSCGKSA-N 2 1 241.423 1.789 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000250728766 362817948 /nfs/dbraw/zinc/81/79/48/362817948.db2.gz JZDLYSKDBHDECT-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc1 ZINC000252860609 347641096 /nfs/dbraw/zinc/64/10/96/347641096.db2.gz NBEPZNVJGFLVEE-AEGPPILISA-N 2 1 245.370 1.949 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593729072 347937994 /nfs/dbraw/zinc/93/79/94/347937994.db2.gz FFQDETIWYQRYGR-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP CCn1cc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000577377715 365939098 /nfs/dbraw/zinc/93/90/98/365939098.db2.gz XMWORMKFBJQXKY-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP C[C@H](CSCCF)[NH2+]C1CC[NH+](C)CC1 ZINC000595004646 348170165 /nfs/dbraw/zinc/17/01/65/348170165.db2.gz QNJCXLLWBOOMLY-SNVBAGLBSA-N 2 1 234.384 1.761 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229088225 179374815 /nfs/dbraw/zinc/37/48/15/179374815.db2.gz GHMKYNHWJGXXBT-YPMHNXCESA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cccnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000161862219 179375674 /nfs/dbraw/zinc/37/56/74/179375674.db2.gz YGSOIUFDHDWJGW-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000162194003 179376453 /nfs/dbraw/zinc/37/64/53/179376453.db2.gz YLUCQRRMZFQBLQ-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)CC1(C)C ZINC000623490694 362916492 /nfs/dbraw/zinc/91/64/92/362916492.db2.gz STFBPSDOXZQGBN-LBPRGKRZSA-N 2 1 240.391 1.611 20 0 BDADMP CO[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503781 362927297 /nfs/dbraw/zinc/92/72/97/362927297.db2.gz NRVFHLGCOVXZSB-MNOVXSKESA-N 2 1 214.353 1.484 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000070359418 349995721 /nfs/dbraw/zinc/99/57/21/349995721.db2.gz NDHWLXADEJOHJQ-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP CCc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000308815591 348710012 /nfs/dbraw/zinc/71/00/12/348710012.db2.gz ANPHYXCRDCATLK-VIFPVBQESA-N 2 1 228.361 1.062 20 0 BDADMP CCc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000308815591 348710016 /nfs/dbraw/zinc/71/00/16/348710016.db2.gz ANPHYXCRDCATLK-VIFPVBQESA-N 2 1 228.361 1.062 20 0 BDADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000070013103 490196215 /nfs/dbraw/zinc/19/62/15/490196215.db2.gz SVRYAZOWGHIGFH-AGIUHOORSA-N 2 1 224.348 1.382 20 0 BDADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000070013103 490196220 /nfs/dbraw/zinc/19/62/20/490196220.db2.gz SVRYAZOWGHIGFH-AGIUHOORSA-N 2 1 224.348 1.382 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000082847709 348837545 /nfs/dbraw/zinc/83/75/45/348837545.db2.gz RVBYSIPYURROIG-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000308856506 348908081 /nfs/dbraw/zinc/90/80/81/348908081.db2.gz OHISJNYYCFTHKW-NEPJUHHUSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000308856506 348908082 /nfs/dbraw/zinc/90/80/82/348908082.db2.gz OHISJNYYCFTHKW-NEPJUHHUSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000308856506 348908083 /nfs/dbraw/zinc/90/80/83/348908083.db2.gz OHISJNYYCFTHKW-NEPJUHHUSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000308856506 348908088 /nfs/dbraw/zinc/90/80/88/348908088.db2.gz OHISJNYYCFTHKW-NEPJUHHUSA-N 2 1 216.369 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000308861148 348908512 /nfs/dbraw/zinc/90/85/12/348908512.db2.gz PGSCAWCSSWOJDW-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H]1C[N@@H+](C)CCN1CCC[NH+](CC)CC ZINC000518706636 538016362 /nfs/dbraw/zinc/01/63/62/538016362.db2.gz QTGPYOQACSCBLX-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000250779838 349179278 /nfs/dbraw/zinc/17/92/78/349179278.db2.gz XJBOOIHAQVDJFM-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000249890151 349165360 /nfs/dbraw/zinc/16/53/60/349165360.db2.gz RWXAJOXRDSUNDZ-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250559950 349175295 /nfs/dbraw/zinc/17/52/95/349175295.db2.gz CESWUKKBVMLPFO-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250559950 349175298 /nfs/dbraw/zinc/17/52/98/349175298.db2.gz CESWUKKBVMLPFO-UPJWGTAASA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250559950 349175301 /nfs/dbraw/zinc/17/53/01/349175301.db2.gz CESWUKKBVMLPFO-UPJWGTAASA-N 3 1 225.380 1.188 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000165164965 490232449 /nfs/dbraw/zinc/23/24/49/490232449.db2.gz YRVYUGGXOUBWOH-VXGBXAGGSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CO1 ZINC000402064099 349288874 /nfs/dbraw/zinc/28/88/74/349288874.db2.gz VMEFTOBJIZPZBJ-RDBQEKCUSA-N 2 1 232.327 1.898 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000309020167 349305495 /nfs/dbraw/zinc/30/54/95/349305495.db2.gz UCIBYDMBKMJMBO-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000309020167 349305504 /nfs/dbraw/zinc/30/55/04/349305504.db2.gz UCIBYDMBKMJMBO-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000309020167 349305505 /nfs/dbraw/zinc/30/55/05/349305505.db2.gz UCIBYDMBKMJMBO-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000395403021 323224701 /nfs/dbraw/zinc/22/47/01/323224701.db2.gz HQHWJNINLQXSGT-CYBMUJFWSA-N 2 1 240.391 1.562 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000395403021 323224705 /nfs/dbraw/zinc/22/47/05/323224705.db2.gz HQHWJNINLQXSGT-CYBMUJFWSA-N 2 1 240.391 1.562 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC(C)(C)C1)C1CC1 ZINC000395403021 323224707 /nfs/dbraw/zinc/22/47/07/323224707.db2.gz HQHWJNINLQXSGT-CYBMUJFWSA-N 2 1 240.391 1.562 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC(C)(C)C1)C1CC1 ZINC000395403021 323224709 /nfs/dbraw/zinc/22/47/09/323224709.db2.gz HQHWJNINLQXSGT-CYBMUJFWSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000395761641 323241686 /nfs/dbraw/zinc/24/16/86/323241686.db2.gz AIXCPTHBYBJLSX-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C(C)C ZINC000395761641 323241688 /nfs/dbraw/zinc/24/16/88/323241688.db2.gz AIXCPTHBYBJLSX-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H](NCC[N@@H+](C)C1CCCCC1)C1C[NH2+]C1 ZINC000422708500 192436791 /nfs/dbraw/zinc/43/67/91/192436791.db2.gz XXEPYWXRSCMSNT-LBPRGKRZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1C[C@H](NCCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000132005419 191022125 /nfs/dbraw/zinc/02/21/25/191022125.db2.gz JKVYEHQRRVTDML-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCOC1 ZINC000334278667 538063803 /nfs/dbraw/zinc/06/38/03/538063803.db2.gz POMUBUSWROSZCU-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)C(C)(C)O ZINC000314832156 350175212 /nfs/dbraw/zinc/17/52/12/350175212.db2.gz FXVBKALGKRMXQM-UHFFFAOYSA-N 2 1 239.363 1.492 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044535457 180152975 /nfs/dbraw/zinc/15/29/75/180152975.db2.gz FFLACWUTDUCFOL-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000044535457 180152978 /nfs/dbraw/zinc/15/29/78/180152978.db2.gz FFLACWUTDUCFOL-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](C)C1 ZINC000309210528 350192486 /nfs/dbraw/zinc/19/24/86/350192486.db2.gz DLCRYDDHGKTZIW-XQQFMLRXSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000309210528 350192489 /nfs/dbraw/zinc/19/24/89/350192489.db2.gz DLCRYDDHGKTZIW-XQQFMLRXSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000309210528 350192494 /nfs/dbraw/zinc/19/24/94/350192494.db2.gz DLCRYDDHGKTZIW-XQQFMLRXSA-N 2 1 228.380 1.277 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H](C)C[NH+](C)C)s1 ZINC000291743898 180151265 /nfs/dbraw/zinc/15/12/65/180151265.db2.gz PGDFXJVCBVJWON-SECBINFHSA-N 2 1 227.377 1.739 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309238424 350214333 /nfs/dbraw/zinc/21/43/33/350214333.db2.gz KBBAPYAOVDCDDN-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309238424 350214335 /nfs/dbraw/zinc/21/43/35/350214335.db2.gz KBBAPYAOVDCDDN-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309238424 350214338 /nfs/dbraw/zinc/21/43/38/350214338.db2.gz KBBAPYAOVDCDDN-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309238424 350214339 /nfs/dbraw/zinc/21/43/39/350214339.db2.gz KBBAPYAOVDCDDN-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1C ZINC000125461352 180231901 /nfs/dbraw/zinc/23/19/01/180231901.db2.gz KZMXMEYJNVMEEG-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1C ZINC000125461352 180231903 /nfs/dbraw/zinc/23/19/03/180231903.db2.gz KZMXMEYJNVMEEG-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)CC1 ZINC000305154266 180233981 /nfs/dbraw/zinc/23/39/81/180233981.db2.gz BNCPLBPACBBKOB-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)C(C)C ZINC000359830600 180236827 /nfs/dbraw/zinc/23/68/27/180236827.db2.gz ISOJFAKMPXSLPD-ZDUSSCGKSA-N 2 1 239.363 1.578 20 0 BDADMP Cc1nccn1CCCC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368336823 180237423 /nfs/dbraw/zinc/23/74/23/180237423.db2.gz QTNGWBFCOHUOGT-WDNDVIMCSA-N 2 1 249.358 1.142 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368336823 180237425 /nfs/dbraw/zinc/23/74/25/180237425.db2.gz QTNGWBFCOHUOGT-WDNDVIMCSA-N 2 1 249.358 1.142 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368336823 180237427 /nfs/dbraw/zinc/23/74/27/180237427.db2.gz QTNGWBFCOHUOGT-WDNDVIMCSA-N 2 1 249.358 1.142 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000336713055 180237547 /nfs/dbraw/zinc/23/75/47/180237547.db2.gz SGZRVWDJZHSCHM-YPMHNXCESA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000336713055 180237549 /nfs/dbraw/zinc/23/75/49/180237549.db2.gz SGZRVWDJZHSCHM-YPMHNXCESA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCOCC1 ZINC000338015489 180246383 /nfs/dbraw/zinc/24/63/83/180246383.db2.gz GUHYXAKKFNJYCV-ZDUSSCGKSA-N 2 1 237.347 1.740 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361417324 180247291 /nfs/dbraw/zinc/24/72/91/180247291.db2.gz WRAFJXAMPSIQFY-CYBMUJFWSA-N 2 1 237.347 1.691 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361417324 180247292 /nfs/dbraw/zinc/24/72/92/180247292.db2.gz WRAFJXAMPSIQFY-CYBMUJFWSA-N 2 1 237.347 1.691 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCOC1 ZINC000270642759 180249708 /nfs/dbraw/zinc/24/97/08/180249708.db2.gz JVYQALSJKMORPO-GFCCVEGCSA-N 2 1 223.320 1.160 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCOC1 ZINC000270642759 180249710 /nfs/dbraw/zinc/24/97/10/180249710.db2.gz JVYQALSJKMORPO-GFCCVEGCSA-N 2 1 223.320 1.160 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CCn1cccn1 ZINC000336717958 180249897 /nfs/dbraw/zinc/24/98/97/180249897.db2.gz WQCXNJIUIPGXNJ-UHFFFAOYSA-N 2 1 233.319 1.020 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CCn1cccn1 ZINC000336717958 180249899 /nfs/dbraw/zinc/24/98/99/180249899.db2.gz WQCXNJIUIPGXNJ-UHFFFAOYSA-N 2 1 233.319 1.020 20 0 BDADMP Cc1[nH+]ccn1CCN1CCC([NH+](C)C)CC1 ZINC000336708123 180250133 /nfs/dbraw/zinc/25/01/33/180250133.db2.gz PDGCQBZRXXLPRM-UHFFFAOYSA-N 2 1 236.363 1.218 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000339792571 180240958 /nfs/dbraw/zinc/24/09/58/180240958.db2.gz QGJIRJASLPFLHR-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](O)CC1 ZINC000339792571 180240961 /nfs/dbraw/zinc/24/09/61/180240961.db2.gz QGJIRJASLPFLHR-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000226321055 535118292 /nfs/dbraw/zinc/11/82/92/535118292.db2.gz PXTQWNFMGFZBJA-ZDUSSCGKSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cocn1 ZINC000277040508 180244628 /nfs/dbraw/zinc/24/46/28/180244628.db2.gz PAKPDEHUSFSIMY-UHFFFAOYSA-N 2 1 220.276 1.359 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccn(C)c1 ZINC000270594102 180266118 /nfs/dbraw/zinc/26/61/18/180266118.db2.gz DENXNZWGVYBVDK-LBPRGKRZSA-N 2 1 246.358 1.956 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)CN(C)CC ZINC000309305995 350274261 /nfs/dbraw/zinc/27/42/61/350274261.db2.gz ZRFAOMHQWGBULA-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000309305995 350274263 /nfs/dbraw/zinc/27/42/63/350274263.db2.gz ZRFAOMHQWGBULA-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000309305995 350274264 /nfs/dbraw/zinc/27/42/64/350274264.db2.gz ZRFAOMHQWGBULA-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000309305995 350274266 /nfs/dbraw/zinc/27/42/66/350274266.db2.gz ZRFAOMHQWGBULA-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000309305995 350274268 /nfs/dbraw/zinc/27/42/68/350274268.db2.gz ZRFAOMHQWGBULA-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000427698876 191089456 /nfs/dbraw/zinc/08/94/56/191089456.db2.gz RDZWEZMITDSZFL-RGDJUOJXSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000427698876 191089459 /nfs/dbraw/zinc/08/94/59/191089459.db2.gz RDZWEZMITDSZFL-RGDJUOJXSA-N 2 1 238.375 1.484 20 0 BDADMP CC(C)(C)n1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000347128096 133805731 /nfs/dbraw/zinc/80/57/31/133805731.db2.gz ZPTSRHOFFZSVGX-NSHDSACASA-N 2 1 236.363 1.419 20 0 BDADMP CC(C)(C)n1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000347128096 133805732 /nfs/dbraw/zinc/80/57/32/133805732.db2.gz ZPTSRHOFFZSVGX-NSHDSACASA-N 2 1 236.363 1.419 20 0 BDADMP C[C@@H](CCO)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623535058 362954518 /nfs/dbraw/zinc/95/45/18/362954518.db2.gz LAPRSYQWWWNMRC-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328174741 350375339 /nfs/dbraw/zinc/37/53/39/350375339.db2.gz KYHARASYVSUEKO-RWMBFGLXSA-N 2 1 226.364 1.208 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2=CCOCC2)CC1(C)C ZINC000623537309 362955908 /nfs/dbraw/zinc/95/59/08/362955908.db2.gz TWXLEKMEQDKCNN-CYBMUJFWSA-N 2 1 238.375 1.796 20 0 BDADMP Cc1ncsc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228063767 180318158 /nfs/dbraw/zinc/31/81/58/180318158.db2.gz ZGBKOQSKFZYPSI-PSASIEDQSA-N 2 1 225.361 1.621 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCn3ccnc3C2)CC[N@@H+]1C ZINC000427888949 191099644 /nfs/dbraw/zinc/09/96/44/191099644.db2.gz ZBRHOTVRXYRTCK-UPJWGTAASA-N 2 1 248.374 1.270 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCn3ccnc3C2)CC[N@H+]1C ZINC000427888949 191099645 /nfs/dbraw/zinc/09/96/45/191099645.db2.gz ZBRHOTVRXYRTCK-UPJWGTAASA-N 2 1 248.374 1.270 20 0 BDADMP Cc1ncsc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126753914 180319113 /nfs/dbraw/zinc/31/91/13/180319113.db2.gz ZGBKOQSKFZYPSI-WPRPVWTQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271900535 180378495 /nfs/dbraw/zinc/37/84/95/180378495.db2.gz VMGQEJRSSSPYIZ-LLVKDONJSA-N 2 1 248.374 1.641 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271900536 180381455 /nfs/dbraw/zinc/38/14/55/180381455.db2.gz VMGQEJRSSSPYIZ-NSHDSACASA-N 2 1 248.374 1.641 20 0 BDADMP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000606275886 490562087 /nfs/dbraw/zinc/56/20/87/490562087.db2.gz KRMHOANOUZHRFA-ZJUUUORDSA-N 2 1 200.326 1.223 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000606275886 490562089 /nfs/dbraw/zinc/56/20/89/490562089.db2.gz KRMHOANOUZHRFA-ZJUUUORDSA-N 2 1 200.326 1.223 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)CC1(C)C ZINC000623545234 362965810 /nfs/dbraw/zinc/96/58/10/362965810.db2.gz CBZGSMRXIRICSH-IJLUTSLNSA-N 2 1 226.364 1.362 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000061588893 350519089 /nfs/dbraw/zinc/51/90/89/350519089.db2.gz OHWZEBYOAPHDSK-LBPRGKRZSA-N 2 1 228.405 1.956 20 0 BDADMP c1cc(C[NH2+]CCC[NH2+]C2CC2)cs1 ZINC000063147337 350573907 /nfs/dbraw/zinc/57/39/07/350573907.db2.gz HZPDGTGYTSRDFS-UHFFFAOYSA-N 2 1 210.346 1.980 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(NCC(C)(C)[NH3+])n1 ZINC000420197449 192173298 /nfs/dbraw/zinc/17/32/98/192173298.db2.gz JSMHEKGWJOMKKY-UHFFFAOYSA-N 2 1 246.318 1.120 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CO1 ZINC000623558884 362980863 /nfs/dbraw/zinc/98/08/63/362980863.db2.gz MDFHKLQHUSSYIB-GRYCIOLGSA-N 2 1 226.364 1.626 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000251908506 362983005 /nfs/dbraw/zinc/98/30/05/362983005.db2.gz TVAHIZMSUVJJAR-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1C[N@H+](C/C=C/Cl)CC[C@H]1[NH3+] ZINC000251768265 350902701 /nfs/dbraw/zinc/90/27/01/350902701.db2.gz MHQHNTDSEGYKGA-OTIHIVFHSA-N 2 1 202.729 1.798 20 0 BDADMP CC[C@@H]1C[N@@H+](C/C=C/Cl)CC[C@H]1[NH3+] ZINC000251768265 350902702 /nfs/dbraw/zinc/90/27/02/350902702.db2.gz MHQHNTDSEGYKGA-OTIHIVFHSA-N 2 1 202.729 1.798 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCCF)C1 ZINC000336681948 350905800 /nfs/dbraw/zinc/90/58/00/350905800.db2.gz HUPLCGRLVFLPMU-NSHDSACASA-N 2 1 202.317 1.797 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000250878369 350886925 /nfs/dbraw/zinc/88/69/25/350886925.db2.gz USLRSYUIMLQUQH-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP Brc1c[nH+]ccc1N1CC[NH2+]CC1 ZINC000159792738 350997498 /nfs/dbraw/zinc/99/74/98/350997498.db2.gz JCPJXGYSIMZNRG-UHFFFAOYSA-N 2 1 242.120 1.254 20 0 BDADMP CS[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000382859179 351057619 /nfs/dbraw/zinc/05/76/19/351057619.db2.gz APKMUDJNLANWHX-RYUDHWBXSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000382859179 351057621 /nfs/dbraw/zinc/05/76/21/351057621.db2.gz APKMUDJNLANWHX-RYUDHWBXSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000382859179 351057625 /nfs/dbraw/zinc/05/76/25/351057625.db2.gz APKMUDJNLANWHX-RYUDHWBXSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000382859179 351057629 /nfs/dbraw/zinc/05/76/29/351057629.db2.gz APKMUDJNLANWHX-RYUDHWBXSA-N 2 1 246.420 1.125 20 0 BDADMP COC1(C[N@@H+]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000379945238 351295292 /nfs/dbraw/zinc/29/52/92/351295292.db2.gz QJHQSKAFHGXSMV-NSHDSACASA-N 2 1 212.337 1.369 20 0 BDADMP COC1(C[N@H+]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000379945238 351295294 /nfs/dbraw/zinc/29/52/94/351295294.db2.gz QJHQSKAFHGXSMV-NSHDSACASA-N 2 1 212.337 1.369 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCCCS1 ZINC000087683688 351347338 /nfs/dbraw/zinc/34/73/38/351347338.db2.gz DFCMRQPEOYRHMS-UWVGGRQHSA-N 2 1 200.351 1.224 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000252715828 538100737 /nfs/dbraw/zinc/10/07/37/538100737.db2.gz WVAISFWRELLGNY-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)nc1 ZINC000088135752 351624976 /nfs/dbraw/zinc/62/49/76/351624976.db2.gz DXJIXRIVJNPHTI-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)nc1 ZINC000088135752 351624979 /nfs/dbraw/zinc/62/49/79/351624979.db2.gz DXJIXRIVJNPHTI-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC000414870101 351988936 /nfs/dbraw/zinc/98/89/36/351988936.db2.gz RZLMJEQQGVATAN-JHJVBQTASA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638243446 352090915 /nfs/dbraw/zinc/09/09/15/352090915.db2.gz PITLXUABAIVWHW-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CO[C@]1(C[NH2+]CCC[N@@H+](C)C(C)C)CCOC1 ZINC000638337196 352156108 /nfs/dbraw/zinc/15/61/08/352156108.db2.gz CQTIDRWAEVRHHP-ZDUSSCGKSA-N 2 1 244.379 1.112 20 0 BDADMP C([NH2+][C@H]1CCCSC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061588235 187613213 /nfs/dbraw/zinc/61/32/13/187613213.db2.gz BQIMJNZPEDGVED-RYUDHWBXSA-N 2 1 240.416 1.956 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC2(O)CCC2)C1 ZINC000411116127 191159708 /nfs/dbraw/zinc/15/97/08/191159708.db2.gz NRAWTRDMZGIOMJ-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533532 352352751 /nfs/dbraw/zinc/35/27/51/352352751.db2.gz JMZUKUDPFKHXHR-NSHDSACASA-N 2 1 222.336 1.150 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533532 352352753 /nfs/dbraw/zinc/35/27/53/352352753.db2.gz JMZUKUDPFKHXHR-NSHDSACASA-N 2 1 222.336 1.150 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261589651 535177684 /nfs/dbraw/zinc/17/76/84/535177684.db2.gz UAFWAMOFMXWPNY-XQQFMLRXSA-N 2 1 226.364 1.328 20 0 BDADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)CC(C)C ZINC000638589387 352421053 /nfs/dbraw/zinc/42/10/53/352421053.db2.gz UBMAZGDFRJHSID-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CS1 ZINC000252173154 363190208 /nfs/dbraw/zinc/19/02/08/363190208.db2.gz RNEPDSPDROAUAZ-UTUOFQBUSA-N 2 1 240.416 1.954 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334227217 352766829 /nfs/dbraw/zinc/76/68/29/352766829.db2.gz GBDBSUIZKSTPAH-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334227217 352766831 /nfs/dbraw/zinc/76/68/31/352766831.db2.gz GBDBSUIZKSTPAH-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000412079244 191253131 /nfs/dbraw/zinc/25/31/31/191253131.db2.gz LCEIAKSSWIXSJR-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000412079244 191253134 /nfs/dbraw/zinc/25/31/34/191253134.db2.gz LCEIAKSSWIXSJR-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000412079244 191253136 /nfs/dbraw/zinc/25/31/36/191253136.db2.gz LCEIAKSSWIXSJR-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)C[C@H]1O ZINC000342870238 352883855 /nfs/dbraw/zinc/88/38/55/352883855.db2.gz BVFUQDOEGHOIBW-CHWSQXEVSA-N 2 1 237.347 1.284 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@H]1O ZINC000342870238 352883858 /nfs/dbraw/zinc/88/38/58/352883858.db2.gz BVFUQDOEGHOIBW-CHWSQXEVSA-N 2 1 237.347 1.284 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000638838382 353023016 /nfs/dbraw/zinc/02/30/16/353023016.db2.gz HTOYHAMCTIJRHQ-LBPRGKRZSA-N 2 1 246.358 1.259 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)OC ZINC000638838180 353023051 /nfs/dbraw/zinc/02/30/51/353023051.db2.gz DXKWLGPQHVZGQJ-JSGCOSHPSA-N 2 1 240.391 1.899 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000307690098 353093845 /nfs/dbraw/zinc/09/38/45/353093845.db2.gz HOCOGQZPUSZKRD-NXEZZACHSA-N 2 1 200.301 1.548 20 0 BDADMP CC[C@@H]1CCCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000125054786 353173496 /nfs/dbraw/zinc/17/34/96/353173496.db2.gz OTEGRVCBVIPQAY-CQSZACIVSA-N 2 1 239.407 1.546 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250239389 353269366 /nfs/dbraw/zinc/26/93/66/353269366.db2.gz HCIYRYRJQMSJJL-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250239389 353269368 /nfs/dbraw/zinc/26/93/68/353269368.db2.gz HCIYRYRJQMSJJL-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP c1ccc2c(c1)CC([NH2+]C[C@@H]1CCC[NH2+]1)C2 ZINC000205608714 188231952 /nfs/dbraw/zinc/23/19/52/188231952.db2.gz BEBWSBNOCWREBR-ZDUSSCGKSA-N 2 1 216.328 1.495 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251715837 353287370 /nfs/dbraw/zinc/28/73/70/353287370.db2.gz JQRRWFTWLBWDHW-ZWNOBZJWSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251715837 353287374 /nfs/dbraw/zinc/28/73/74/353287374.db2.gz JQRRWFTWLBWDHW-ZWNOBZJWSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251719613 353288253 /nfs/dbraw/zinc/28/82/53/353288253.db2.gz JVVDIEXSALMAES-NTZNESFSSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251719613 353288257 /nfs/dbraw/zinc/28/82/57/353288257.db2.gz JVVDIEXSALMAES-NTZNESFSSA-N 2 1 219.332 1.812 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408940 188247987 /nfs/dbraw/zinc/24/79/87/188247987.db2.gz SZRBZBOEGVXBAI-RDBSUJKOSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336715437 188255896 /nfs/dbraw/zinc/25/58/96/188255896.db2.gz WPDHCBOQUAIVHU-LBPRGKRZSA-N 3 1 215.385 1.434 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC1CC[NH2+]CC1 ZINC000251925369 353293424 /nfs/dbraw/zinc/29/34/24/353293424.db2.gz YHTJBSHFGLLJNU-OCCSQVGLSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358077751 188271923 /nfs/dbraw/zinc/27/19/23/188271923.db2.gz CAPDZILEYFGOKQ-WFASDCNBSA-N 2 1 248.370 1.865 20 0 BDADMP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC[NH3+] ZINC000082929060 188295874 /nfs/dbraw/zinc/29/58/74/188295874.db2.gz ZSSLQFNAJANEJG-YPMHNXCESA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC[NH3+] ZINC000082929060 188295875 /nfs/dbraw/zinc/29/58/75/188295875.db2.gz ZSSLQFNAJANEJG-YPMHNXCESA-N 2 1 204.317 1.823 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccn1 ZINC000049330107 188298966 /nfs/dbraw/zinc/29/89/66/188298966.db2.gz QAQFSGCYJXLHKY-NSHDSACASA-N 2 1 230.315 1.937 20 0 BDADMP C(CN1CC[N@H+]2CCCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694235 353303818 /nfs/dbraw/zinc/30/38/18/353303818.db2.gz YTWZVWYPEHKWGM-ZIAGYGMSSA-N 2 1 237.391 1.156 20 0 BDADMP C(C[N@@H+]1CCN2CCCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694235 353303819 /nfs/dbraw/zinc/30/38/19/353303819.db2.gz YTWZVWYPEHKWGM-ZIAGYGMSSA-N 2 1 237.391 1.156 20 0 BDADMP C(C[N@H+]1CCN2CCCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694235 353303821 /nfs/dbraw/zinc/30/38/21/353303821.db2.gz YTWZVWYPEHKWGM-ZIAGYGMSSA-N 2 1 237.391 1.156 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422830799 192482392 /nfs/dbraw/zinc/48/23/92/192482392.db2.gz DAQZHIDRBVIPRM-XJFOESAGSA-N 3 1 239.407 1.576 20 0 BDADMP Cc1cc[nH+]c(NC2CC[NH+](C)CC2)c1 ZINC000043561450 188325673 /nfs/dbraw/zinc/32/56/73/188325673.db2.gz HFQQKTKEJLXNEI-UHFFFAOYSA-N 2 1 205.305 1.896 20 0 BDADMP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000398948537 353368943 /nfs/dbraw/zinc/36/89/43/353368943.db2.gz CLBZDZPYNVGOIS-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336667850 188358166 /nfs/dbraw/zinc/35/81/66/188358166.db2.gz NZCJVMMVOAHVPM-CYBMUJFWSA-N 2 1 228.380 1.543 20 0 BDADMP C(C1CC1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335638036 188348392 /nfs/dbraw/zinc/34/83/92/188348392.db2.gz ZWWIKHWDARFXKY-QWHCGFSZSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1ncsc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282158 538116104 /nfs/dbraw/zinc/11/61/04/538116104.db2.gz YSPRCYFNHKWDPX-NXEZZACHSA-N 2 1 223.345 1.103 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cn[nH]c1 ZINC000284057448 188385584 /nfs/dbraw/zinc/38/55/84/188385584.db2.gz KOJHIWGWAXSCCT-LLVKDONJSA-N 2 1 224.352 1.791 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000284057448 188385586 /nfs/dbraw/zinc/38/55/86/188385586.db2.gz KOJHIWGWAXSCCT-LLVKDONJSA-N 2 1 224.352 1.791 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000284057448 188385587 /nfs/dbraw/zinc/38/55/87/188385587.db2.gz KOJHIWGWAXSCCT-LLVKDONJSA-N 2 1 224.352 1.791 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCCSCC1 ZINC000042444850 188396753 /nfs/dbraw/zinc/39/67/53/188396753.db2.gz NMOSTSCBDJHYJO-UHFFFAOYSA-N 2 1 214.378 1.425 20 0 BDADMP COc1ccc(C[N@@H+](C)[C@H](CN)C2CC2)cc1 ZINC000042441536 188397136 /nfs/dbraw/zinc/39/71/36/188397136.db2.gz NBGICVDFHIHVFW-CQSZACIVSA-N 2 1 234.343 1.864 20 0 BDADMP CC(C)C1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000639113161 353710677 /nfs/dbraw/zinc/71/06/77/353710677.db2.gz JGTZAFOEOPZRBH-BETUJISGSA-N 2 1 222.376 1.916 20 0 BDADMP CC(C)C1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000639113161 353710681 /nfs/dbraw/zinc/71/06/81/353710681.db2.gz JGTZAFOEOPZRBH-BETUJISGSA-N 2 1 222.376 1.916 20 0 BDADMP CC(C)C1(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000639113161 353710683 /nfs/dbraw/zinc/71/06/83/353710683.db2.gz JGTZAFOEOPZRBH-BETUJISGSA-N 2 1 222.376 1.916 20 0 BDADMP CC[C@@H](C)[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113869 353714940 /nfs/dbraw/zinc/71/49/40/353714940.db2.gz YIQBPGBHWYZLFW-MQYQWHSLSA-N 2 1 240.391 1.541 20 0 BDADMP CC[C@@H](C)[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)OC ZINC000639113869 353714944 /nfs/dbraw/zinc/71/49/44/353714944.db2.gz YIQBPGBHWYZLFW-MQYQWHSLSA-N 2 1 240.391 1.541 20 0 BDADMP CC[C@@H](C)[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)OC ZINC000639113869 353714948 /nfs/dbraw/zinc/71/49/48/353714948.db2.gz YIQBPGBHWYZLFW-MQYQWHSLSA-N 2 1 240.391 1.541 20 0 BDADMP Cc1cn[nH]c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334584763 354206887 /nfs/dbraw/zinc/20/68/87/354206887.db2.gz IKHFEGOBAJISCK-CYBMUJFWSA-N 2 1 248.374 1.682 20 0 BDADMP CN(CCCn1ccnc1)Cc1ccns1 ZINC000639176078 354216271 /nfs/dbraw/zinc/21/62/71/354216271.db2.gz WRGNGBJNIYTGDE-UHFFFAOYSA-N 2 1 236.344 1.862 20 0 BDADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000639178518 354254581 /nfs/dbraw/zinc/25/45/81/354254581.db2.gz LKQNHPOSUYQQDM-FPMFFAJLSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000639178518 354254583 /nfs/dbraw/zinc/25/45/83/354254583.db2.gz LKQNHPOSUYQQDM-FPMFFAJLSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000639178518 354254584 /nfs/dbraw/zinc/25/45/84/354254584.db2.gz LKQNHPOSUYQQDM-FPMFFAJLSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000639178518 354254585 /nfs/dbraw/zinc/25/45/85/354254585.db2.gz LKQNHPOSUYQQDM-FPMFFAJLSA-N 2 1 240.391 1.683 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000334615472 354301420 /nfs/dbraw/zinc/30/14/20/354301420.db2.gz JPJDZCSVQCCQII-CHWSQXEVSA-N 2 1 219.332 1.750 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000334615624 354302398 /nfs/dbraw/zinc/30/23/98/354302398.db2.gz LIYJGCWMQVMTQU-KIDURHIOSA-N 2 1 211.353 1.116 20 0 BDADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000334617345 354305643 /nfs/dbraw/zinc/30/56/43/354305643.db2.gz XSKYJDAVOZWQNP-MNOVXSKESA-N 2 1 248.317 1.390 20 0 BDADMP Cc1c[nH+]ccc1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000334629808 354372461 /nfs/dbraw/zinc/37/24/61/354372461.db2.gz WWZCOONMZBEGTG-YPMHNXCESA-N 2 1 217.316 1.530 20 0 BDADMP C[NH2+]CCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000335093912 354631784 /nfs/dbraw/zinc/63/17/84/354631784.db2.gz LGVGTOQMJCPHKW-UHFFFAOYSA-N 2 1 247.342 1.075 20 0 BDADMP C[NH2+]CCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000335093912 354631787 /nfs/dbraw/zinc/63/17/87/354631787.db2.gz LGVGTOQMJCPHKW-UHFFFAOYSA-N 2 1 247.342 1.075 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC[C@@H]3CCO3)C2)C1 ZINC000639202728 354608318 /nfs/dbraw/zinc/60/83/18/354608318.db2.gz BCAXCHRLMOZYTR-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC[C@@H]3CCO3)C2)C1 ZINC000639202728 354608320 /nfs/dbraw/zinc/60/83/20/354608320.db2.gz BCAXCHRLMOZYTR-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC[C@@H]3CCO3)C2)C1 ZINC000639202728 354608323 /nfs/dbraw/zinc/60/83/23/354608323.db2.gz BCAXCHRLMOZYTR-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cnc(N(C)C)n1C ZINC000335086821 354621518 /nfs/dbraw/zinc/62/15/18/354621518.db2.gz OLRYSEDCNKPEDI-WDEREUQCSA-N 2 1 236.363 1.716 20 0 BDADMP CCC(CC)[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000351961076 134020147 /nfs/dbraw/zinc/02/01/47/134020147.db2.gz ZCYXHNAYUJDLEU-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000351961076 134020148 /nfs/dbraw/zinc/02/01/48/134020148.db2.gz ZCYXHNAYUJDLEU-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351961076 134020149 /nfs/dbraw/zinc/02/01/49/134020149.db2.gz ZCYXHNAYUJDLEU-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CCC(CC)[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351961076 134020150 /nfs/dbraw/zinc/02/01/50/134020150.db2.gz ZCYXHNAYUJDLEU-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@@H+]1C ZINC000639223001 354924009 /nfs/dbraw/zinc/92/40/09/354924009.db2.gz QWCBFYGWQITJKI-QNWHQSFQSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@H+]1C ZINC000639223001 354924013 /nfs/dbraw/zinc/92/40/13/354924013.db2.gz QWCBFYGWQITJKI-QNWHQSFQSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(C)n1 ZINC000335196953 355029716 /nfs/dbraw/zinc/02/97/16/355029716.db2.gz YNZLPBPROKXBQT-UHFFFAOYSA-N 2 1 233.359 1.882 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346666643 355006596 /nfs/dbraw/zinc/00/65/96/355006596.db2.gz YSMHLUUPBFSNSO-GFCCVEGCSA-N 2 1 224.352 1.523 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346666643 355006600 /nfs/dbraw/zinc/00/66/00/355006600.db2.gz YSMHLUUPBFSNSO-GFCCVEGCSA-N 2 1 224.352 1.523 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346638247 355015196 /nfs/dbraw/zinc/01/51/96/355015196.db2.gz JGFPNFVXVCFSRK-NXEZZACHSA-N 2 1 240.372 1.926 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346638252 355015584 /nfs/dbraw/zinc/01/55/84/355015584.db2.gz JGFPNFVXVCFSRK-ZJUUUORDSA-N 2 1 240.372 1.926 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCSC3)C2)C1 ZINC000335228628 355070701 /nfs/dbraw/zinc/07/07/01/355070701.db2.gz NVTQVRYIHWWMKJ-OLZOCXBDSA-N 2 1 240.416 1.767 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCSC3)C2)C1 ZINC000335228628 355070702 /nfs/dbraw/zinc/07/07/02/355070702.db2.gz NVTQVRYIHWWMKJ-OLZOCXBDSA-N 2 1 240.416 1.767 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCSC3)C2)C1 ZINC000335228628 355070703 /nfs/dbraw/zinc/07/07/03/355070703.db2.gz NVTQVRYIHWWMKJ-OLZOCXBDSA-N 2 1 240.416 1.767 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000335229467 355071491 /nfs/dbraw/zinc/07/14/91/355071491.db2.gz GWJRGKVJJIUHGN-TZMCWYRMSA-N 2 1 218.344 1.997 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000335229464 355071652 /nfs/dbraw/zinc/07/16/52/355071652.db2.gz GWJRGKVJJIUHGN-GXTWGEPZSA-N 2 1 218.344 1.997 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)CCO1 ZINC000346695201 355077113 /nfs/dbraw/zinc/07/71/13/355077113.db2.gz YVIYEVUPGKGQCI-AAVRWANBSA-N 2 1 240.391 1.861 20 0 BDADMP CCc1cc(N2CC[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000335233202 355093975 /nfs/dbraw/zinc/09/39/75/355093975.db2.gz ODHNGPVFOGPQAT-LLVKDONJSA-N 2 1 219.332 1.784 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346853501 355138505 /nfs/dbraw/zinc/13/85/05/355138505.db2.gz SSJUDUBRWRKZPU-CYZMBNFOSA-N 2 1 234.347 1.196 20 0 BDADMP C[N@@H+](CCc1ccccc1O)C[C@@H]1CCC[NH2+]C1 ZINC000346975529 355209028 /nfs/dbraw/zinc/20/90/28/355209028.db2.gz JHPCGXDWADDHDN-CYBMUJFWSA-N 2 1 248.370 1.866 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)CC(C)(C)[NH3+] ZINC000346985608 355186662 /nfs/dbraw/zinc/18/66/62/355186662.db2.gz PNKXCFAMQRHNMJ-GFCCVEGCSA-N 2 1 227.396 1.530 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](CO)C(C)(C)C ZINC000346988379 355188586 /nfs/dbraw/zinc/18/85/86/355188586.db2.gz QYAJIJBNVNZJQB-NEPJUHHUSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H]1C[N@H+](CCSCC[NH+](C)C)CCO1 ZINC000412996316 191332663 /nfs/dbraw/zinc/33/26/63/191332663.db2.gz FTCFZJQKBSXLJK-LLVKDONJSA-N 2 1 232.393 1.002 20 0 BDADMP C[C@@H]1C[N@@H+](CCSCC[NH+](C)C)CCO1 ZINC000412996316 191332665 /nfs/dbraw/zinc/33/26/65/191332665.db2.gz FTCFZJQKBSXLJK-LLVKDONJSA-N 2 1 232.393 1.002 20 0 BDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000352004786 134034590 /nfs/dbraw/zinc/03/45/90/134034590.db2.gz QCEFAOMAZTZUBG-VXGBXAGGSA-N 2 1 246.370 1.512 20 0 BDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000352004786 134034591 /nfs/dbraw/zinc/03/45/91/134034591.db2.gz QCEFAOMAZTZUBG-VXGBXAGGSA-N 2 1 246.370 1.512 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113511983 355247907 /nfs/dbraw/zinc/24/79/07/355247907.db2.gz UREUXIHCVBVCHJ-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CC[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000412979332 191348614 /nfs/dbraw/zinc/34/86/14/191348614.db2.gz TYBJFWRAPFJTKG-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000412979332 191348617 /nfs/dbraw/zinc/34/86/17/191348617.db2.gz TYBJFWRAPFJTKG-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000412979332 191348620 /nfs/dbraw/zinc/34/86/20/191348620.db2.gz TYBJFWRAPFJTKG-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000639245358 355266766 /nfs/dbraw/zinc/26/67/66/355266766.db2.gz WTHXWBHLALNPRC-OLZOCXBDSA-N 2 1 248.374 1.400 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000394969656 355332411 /nfs/dbraw/zinc/33/24/11/355332411.db2.gz BHEVZCBMMLDGNA-NSHDSACASA-N 2 1 240.391 1.752 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@H+]1C ZINC000639250062 355282801 /nfs/dbraw/zinc/28/28/01/355282801.db2.gz OUXZEPNDYLYBML-RNJOBUHISA-N 2 1 226.364 1.220 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccon1 ZINC000349236422 355373346 /nfs/dbraw/zinc/37/33/46/355373346.db2.gz HEUUAZBJWLJYAE-JTQLQIEISA-N 2 1 234.303 1.920 20 0 BDADMP Cc1nocc1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000335793721 355447482 /nfs/dbraw/zinc/44/74/82/355447482.db2.gz IBLUJVONUVPKHM-WCQYABFASA-N 2 1 235.331 1.509 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000335783280 355431556 /nfs/dbraw/zinc/43/15/56/355431556.db2.gz NVUHXUBKOXNWIV-LDYMZIIASA-N 2 1 222.336 1.196 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC)C1 ZINC000350181232 355621516 /nfs/dbraw/zinc/62/15/16/355621516.db2.gz MEFLMXGUKGKKIZ-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@H](F)CC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000352050745 134046895 /nfs/dbraw/zinc/04/68/95/134046895.db2.gz UTLVMTLKEVASPX-NSHDSACASA-N 2 1 232.343 1.123 20 0 BDADMP C[C@H](F)CC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000352050745 134046896 /nfs/dbraw/zinc/04/68/96/134046896.db2.gz UTLVMTLKEVASPX-NSHDSACASA-N 2 1 232.343 1.123 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1 ZINC000583569811 355635328 /nfs/dbraw/zinc/63/53/28/355635328.db2.gz OHWXOJWBEPGNER-DGCLKSJQSA-N 2 1 222.332 1.308 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000166561585 355691521 /nfs/dbraw/zinc/69/15/21/355691521.db2.gz UQXNHCAEHLGUFP-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000166561700 355691633 /nfs/dbraw/zinc/69/16/33/355691633.db2.gz UQXNHCAEHLGUFP-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP [NH3+]C1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000430638917 191781653 /nfs/dbraw/zinc/78/16/53/191781653.db2.gz GPFSNTRZACQSDC-UHFFFAOYSA-N 2 1 238.306 1.628 20 0 BDADMP CSCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129641422 355766825 /nfs/dbraw/zinc/76/68/25/355766825.db2.gz ZHOJNMNVQOYGNL-UWVGGRQHSA-N 2 1 202.367 1.422 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCO1 ZINC000398948516 355804445 /nfs/dbraw/zinc/80/44/45/355804445.db2.gz AUPLNLCSAGTSBA-WISYIIOYSA-N 2 1 212.337 1.284 20 0 BDADMP Cn1cccc1[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000336053550 134062669 /nfs/dbraw/zinc/06/26/69/134062669.db2.gz ZYUOCMHNEMOSIS-LBPRGKRZSA-N 2 1 221.348 1.899 20 0 BDADMP Cn1cccc1[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000336053550 134062670 /nfs/dbraw/zinc/06/26/70/134062670.db2.gz ZYUOCMHNEMOSIS-LBPRGKRZSA-N 2 1 221.348 1.899 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351227594 355964137 /nfs/dbraw/zinc/96/41/37/355964137.db2.gz OJUKDUVYSQSHTD-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351227594 355964140 /nfs/dbraw/zinc/96/41/40/355964140.db2.gz OJUKDUVYSQSHTD-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351227594 355964142 /nfs/dbraw/zinc/96/41/42/355964142.db2.gz OJUKDUVYSQSHTD-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccnn1C ZINC000192246490 356072682 /nfs/dbraw/zinc/07/26/82/356072682.db2.gz DUKMADFJASCCRN-GFCCVEGCSA-N 2 1 236.363 1.557 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000351863480 356100291 /nfs/dbraw/zinc/10/02/91/356100291.db2.gz UBWTYRIOBSURGO-ZIAGYGMSSA-N 2 1 247.386 1.792 20 0 BDADMP [NH3+]CCCCNc1[nH+]cnc2[nH]ccc21 ZINC000420234007 192182379 /nfs/dbraw/zinc/18/23/79/192182379.db2.gz NFBYXMPRULOAMC-UHFFFAOYSA-N 2 1 205.265 1.060 20 0 BDADMP CC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000639473484 356266891 /nfs/dbraw/zinc/26/68/91/356266891.db2.gz JSRHWLKWYWMCJQ-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000420296933 192204787 /nfs/dbraw/zinc/20/47/87/192204787.db2.gz XQWYQOWIZPLGQT-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000420295685 192204831 /nfs/dbraw/zinc/20/48/31/192204831.db2.gz VXUCFZBIAUSHAL-MJBXVCDLSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000420295685 192204832 /nfs/dbraw/zinc/20/48/32/192204832.db2.gz VXUCFZBIAUSHAL-MJBXVCDLSA-N 3 1 237.391 1.202 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000420296973 192204950 /nfs/dbraw/zinc/20/49/50/192204950.db2.gz XTFAKQYDLSCWIO-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000420300850 192206445 /nfs/dbraw/zinc/20/64/45/192206445.db2.gz VHXNZFLHNNDHQI-LBPRGKRZSA-N 2 1 224.373 1.961 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320353 192195180 /nfs/dbraw/zinc/19/51/80/192195180.db2.gz BJHGMRXZQQZMKX-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420319555 192195821 /nfs/dbraw/zinc/19/58/21/192195821.db2.gz XSBBALNHAVTFQR-CQSZACIVSA-N 3 1 241.423 1.779 20 0 BDADMP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420319858 192195853 /nfs/dbraw/zinc/19/58/53/192195853.db2.gz PRZWTTDTDRIATC-TZMCWYRMSA-N 2 1 248.374 1.936 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320351 192196008 /nfs/dbraw/zinc/19/60/08/192196008.db2.gz BJHGMRXZQQZMKX-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420273944 192197230 /nfs/dbraw/zinc/19/72/30/192197230.db2.gz NZNLRDGYJRINIU-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000420283249 192199296 /nfs/dbraw/zinc/19/92/96/192199296.db2.gz BTPASOFCXVMBMD-GFCCVEGCSA-N 2 1 242.363 1.404 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000420283249 192199299 /nfs/dbraw/zinc/19/92/99/192199299.db2.gz BTPASOFCXVMBMD-GFCCVEGCSA-N 2 1 242.363 1.404 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639490386 356307955 /nfs/dbraw/zinc/30/79/55/356307955.db2.gz YWGRLADUKLTNOV-CHWSQXEVSA-N 2 1 240.391 1.685 20 0 BDADMP Cc1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)c(C)n1 ZINC000420289193 192201044 /nfs/dbraw/zinc/20/10/44/192201044.db2.gz JWFYXLCZUGDJCZ-CQSZACIVSA-N 2 1 233.359 1.915 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000420291326 192202784 /nfs/dbraw/zinc/20/27/84/192202784.db2.gz NGRMMNUTKZXOLI-CYBMUJFWSA-N 2 1 219.332 1.437 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000420291326 192202785 /nfs/dbraw/zinc/20/27/85/192202785.db2.gz NGRMMNUTKZXOLI-CYBMUJFWSA-N 2 1 219.332 1.437 20 0 BDADMP C[N@@H+](CCCc1ccncc1)C1CC([NH3+])C1 ZINC000420342239 192216183 /nfs/dbraw/zinc/21/61/83/192216183.db2.gz VPVGERWEURKLJE-UHFFFAOYSA-N 2 1 219.332 1.436 20 0 BDADMP Cc1[nH+]ccn1CCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420341898 192216726 /nfs/dbraw/zinc/21/67/26/192216726.db2.gz OTFSEKORNJXFQX-UONOGXRCSA-N 2 1 248.374 1.265 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCCc1ccncc1)C1CC1 ZINC000420302953 192207625 /nfs/dbraw/zinc/20/76/25/192207625.db2.gz KCKMVSWWCMUWFN-AWEZNQCLSA-N 2 1 233.359 1.731 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420300438 192207902 /nfs/dbraw/zinc/20/79/02/192207902.db2.gz HKESUZKRAJLRLP-CYBMUJFWSA-N 2 1 244.379 1.683 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000420305511 192208290 /nfs/dbraw/zinc/20/82/90/192208290.db2.gz KKEZKQSIEJNQDL-OCCSQVGLSA-N 2 1 233.359 1.683 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420304543 192209508 /nfs/dbraw/zinc/20/95/08/192209508.db2.gz YDXWNBBKMAKMOU-CQSZACIVSA-N 2 1 233.359 1.827 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420304543 192209510 /nfs/dbraw/zinc/20/95/10/192209510.db2.gz YDXWNBBKMAKMOU-CQSZACIVSA-N 2 1 233.359 1.827 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420307645 192209811 /nfs/dbraw/zinc/20/98/11/192209811.db2.gz RPVLXTDNNKBTHP-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP Nc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000420316411 192212458 /nfs/dbraw/zinc/21/24/58/192212458.db2.gz YCLQABWQWADEHZ-YNEHKIRRSA-N 2 1 246.358 1.053 20 0 BDADMP C[C@@H](C1CCCCC1)[N@@H+](C)CCOCC[NH3+] ZINC000420371175 192226737 /nfs/dbraw/zinc/22/67/37/192226737.db2.gz ZTOCRNFXZYQKRY-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP CC[N@@H+](CCC(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420321384 192227522 /nfs/dbraw/zinc/22/75/22/192227522.db2.gz ZYXBILNHAVVMQR-LLVKDONJSA-N 2 1 228.336 1.014 20 0 BDADMP CCOCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420371929 192229039 /nfs/dbraw/zinc/22/90/39/192229039.db2.gz PWWISKRHNSXEJI-LBPRGKRZSA-N 2 1 214.353 1.520 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC1CC[NH2+]CC1 ZINC000420354960 192219209 /nfs/dbraw/zinc/21/92/09/192219209.db2.gz DSALTELSCYZDIT-GFCCVEGCSA-N 3 1 227.396 1.339 20 0 BDADMP CCC[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420361352 192222374 /nfs/dbraw/zinc/22/23/74/192222374.db2.gz NIRMYEGPWGZLFX-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420359974 192222816 /nfs/dbraw/zinc/22/28/16/192222816.db2.gz LITUJIATPWDDOS-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420363847 192224472 /nfs/dbraw/zinc/22/44/72/192224472.db2.gz OHSDXGKWBCQIDW-LLVKDONJSA-N 2 1 244.379 1.683 20 0 BDADMP C(C[N@H+]1CCOC[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000420368360 192225214 /nfs/dbraw/zinc/22/52/14/192225214.db2.gz WQNQGCFSEBCILI-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP CCC(C)(C)CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420394078 192236166 /nfs/dbraw/zinc/23/61/66/192236166.db2.gz RAXJMBHZKYFKMW-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000420393218 192236983 /nfs/dbraw/zinc/23/69/83/192236983.db2.gz BXKRCELARWNOFJ-ZIAGYGMSSA-N 2 1 218.344 1.946 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420391862 192237155 /nfs/dbraw/zinc/23/71/55/192237155.db2.gz ZHLQTAZZXCSLDL-CQSZACIVSA-N 2 1 240.391 1.879 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1C[NH3+] ZINC000420408512 192239422 /nfs/dbraw/zinc/23/94/22/192239422.db2.gz PHWKMMZBPMNWJK-NXEZZACHSA-N 2 1 236.306 1.185 20 0 BDADMP CC[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000352676904 356401868 /nfs/dbraw/zinc/40/18/68/356401868.db2.gz VCQHGEUDAOXYIC-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000352676904 356401872 /nfs/dbraw/zinc/40/18/72/356401872.db2.gz VCQHGEUDAOXYIC-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000352676904 356401875 /nfs/dbraw/zinc/40/18/75/356401875.db2.gz VCQHGEUDAOXYIC-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CCSCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420377421 192233944 /nfs/dbraw/zinc/23/39/44/192233944.db2.gz WHCSBMZKVTZIMM-OUAUKWLOSA-N 2 1 216.394 1.716 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414919682 491092283 /nfs/dbraw/zinc/09/22/83/491092283.db2.gz VPWKJCBPRMMNBW-VOAKCMCISA-N 3 1 225.380 1.377 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000639614036 356531894 /nfs/dbraw/zinc/53/18/94/356531894.db2.gz WVECLRMKZJGYMM-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP Cn1cncc1CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000639632205 356546397 /nfs/dbraw/zinc/54/63/97/356546397.db2.gz XVDGREQMSBPMDJ-JTQLQIEISA-N 2 1 245.273 1.276 20 0 BDADMP FCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683341 356592554 /nfs/dbraw/zinc/59/25/54/356592554.db2.gz XRUVKRDZRIQFIN-UHFFFAOYSA-N 2 1 237.322 1.953 20 0 BDADMP CCOCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682436 356592733 /nfs/dbraw/zinc/59/27/33/356592733.db2.gz XNURNNBQKYRJRK-UHFFFAOYSA-N 2 1 249.358 1.630 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1nccs1 ZINC000423031451 192545196 /nfs/dbraw/zinc/54/51/96/192545196.db2.gz DJSBVVVSPLCRML-GARJFASQSA-N 2 1 239.388 1.977 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167606247 134152580 /nfs/dbraw/zinc/15/25/80/134152580.db2.gz CHWNPMBPPHIMIJ-GXSJLCMTSA-N 2 1 239.388 1.868 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC000639756912 356664095 /nfs/dbraw/zinc/66/40/95/356664095.db2.gz DULOFUZNTMKUJX-UHFFFAOYSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CCCO3)C2)CC1 ZINC000639760637 356675857 /nfs/dbraw/zinc/67/58/57/356675857.db2.gz YLVAWDUAUCBJDD-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP Cc1cccc(N2CC[C@H](C)[C@H](C[NH3+])C2)[nH+]1 ZINC000167686551 134154000 /nfs/dbraw/zinc/15/40/00/134154000.db2.gz HMHUDNFWRXIFDR-CMPLNLGQSA-N 2 1 219.332 1.811 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000639758043 356667099 /nfs/dbraw/zinc/66/70/99/356667099.db2.gz OTNDJYMWYHCBOQ-UHFFFAOYSA-N 2 1 245.370 1.999 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000423141203 192584670 /nfs/dbraw/zinc/58/46/70/192584670.db2.gz OODYDHCQGHOXKG-GARJFASQSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@@H](C)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765464 356694107 /nfs/dbraw/zinc/69/41/07/356694107.db2.gz ISZQZCXWFRJCDD-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765464 356694111 /nfs/dbraw/zinc/69/41/11/356694111.db2.gz ISZQZCXWFRJCDD-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000639762249 356684891 /nfs/dbraw/zinc/68/48/91/356684891.db2.gz LKBZXIIXDZWINJ-KGLIPLIRSA-N 2 1 238.375 1.484 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000639762249 356684894 /nfs/dbraw/zinc/68/48/94/356684894.db2.gz LKBZXIIXDZWINJ-KGLIPLIRSA-N 2 1 238.375 1.484 20 0 BDADMP c1cn(CC[N@H+]2CCC[C@H]2c2cn[nH]c2)cn1 ZINC000639779150 356725806 /nfs/dbraw/zinc/72/58/06/356725806.db2.gz YGQZPAPPQGKCQE-LBPRGKRZSA-N 2 1 231.303 1.443 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCn2ccnc2)CC1(C)C ZINC000623338623 356734278 /nfs/dbraw/zinc/73/42/78/356734278.db2.gz IXVAFBBAHJXIFG-GFCCVEGCSA-N 3 1 236.363 1.346 20 0 BDADMP CN1CC[C@@H]([NH2+]CCn2ccnc2)CC1(C)C ZINC000623338623 356734280 /nfs/dbraw/zinc/73/42/80/356734280.db2.gz IXVAFBBAHJXIFG-GFCCVEGCSA-N 3 1 236.363 1.346 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373037 356882196 /nfs/dbraw/zinc/88/21/96/356882196.db2.gz PWJYBYKMORFPNM-OLZOCXBDSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCOC1 ZINC000166565845 538725848 /nfs/dbraw/zinc/72/58/48/538725848.db2.gz ZUHZMIBACDXDDV-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383933 356909067 /nfs/dbraw/zinc/90/90/67/356909067.db2.gz HYLHPHOZXPEHSN-OLZOCXBDSA-N 2 1 241.423 1.789 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000423180095 192612636 /nfs/dbraw/zinc/61/26/36/192612636.db2.gz ICHLCYOQNRDWSL-OLZOCXBDSA-N 2 1 204.317 1.871 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378123 356900095 /nfs/dbraw/zinc/90/00/95/356900095.db2.gz UBVFRIZSMFIZQK-RYUDHWBXSA-N 2 1 228.380 1.731 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000389971639 357075632 /nfs/dbraw/zinc/07/56/32/357075632.db2.gz CISAFUFOWDBYMA-QCNOEVLYSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000389971639 357075635 /nfs/dbraw/zinc/07/56/35/357075635.db2.gz CISAFUFOWDBYMA-QCNOEVLYSA-N 2 1 214.353 1.482 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423258344 192656232 /nfs/dbraw/zinc/65/62/32/192656232.db2.gz BJBXNQVZERFSCJ-NWDGAFQWSA-N 2 1 216.369 1.765 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000392236353 357143920 /nfs/dbraw/zinc/14/39/20/357143920.db2.gz WLMNAMHXKIILNU-CHWSQXEVSA-N 3 1 223.364 1.108 20 0 BDADMP CC(C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374420303 357160507 /nfs/dbraw/zinc/16/05/07/357160507.db2.gz LECCIDXFUONFQU-BFHYXJOUSA-N 2 1 240.391 1.826 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304329426 357163427 /nfs/dbraw/zinc/16/34/27/357163427.db2.gz UUMYMFUJBTZORV-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000393337399 357281757 /nfs/dbraw/zinc/28/17/57/357281757.db2.gz UIRILFSMGCTAND-BFHYXJOUSA-N 2 1 240.391 1.469 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCC1CC1 ZINC000393730804 357294288 /nfs/dbraw/zinc/29/42/88/357294288.db2.gz GKVFROSZAZLYGS-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCC1CC1 ZINC000393730804 357294291 /nfs/dbraw/zinc/29/42/91/357294291.db2.gz GKVFROSZAZLYGS-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCC1CC1 ZINC000393730804 357294292 /nfs/dbraw/zinc/29/42/92/357294292.db2.gz GKVFROSZAZLYGS-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCC1CC1 ZINC000393730804 357294295 /nfs/dbraw/zinc/29/42/95/357294295.db2.gz GKVFROSZAZLYGS-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000393754655 357296324 /nfs/dbraw/zinc/29/63/24/357296324.db2.gz VTJNWKAZWFGUGZ-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(C)C)C1 ZINC000393791341 357299383 /nfs/dbraw/zinc/29/93/83/357299383.db2.gz ZDHXDVGDXZWTNG-QWHCGFSZSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000393791341 357299386 /nfs/dbraw/zinc/29/93/86/357299386.db2.gz ZDHXDVGDXZWTNG-QWHCGFSZSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000393791341 357299388 /nfs/dbraw/zinc/29/93/88/357299388.db2.gz ZDHXDVGDXZWTNG-QWHCGFSZSA-N 2 1 228.380 1.277 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)O ZINC000157744893 538837208 /nfs/dbraw/zinc/83/72/08/538837208.db2.gz ZODRGUIMAKIMTH-OUAUKWLOSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)O ZINC000157744893 538837213 /nfs/dbraw/zinc/83/72/13/538837213.db2.gz ZODRGUIMAKIMTH-OUAUKWLOSA-N 2 1 214.353 1.218 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000381511926 357385702 /nfs/dbraw/zinc/38/57/02/357385702.db2.gz RIHWXCODHACHMC-AVGNSLFASA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000381511926 357385708 /nfs/dbraw/zinc/38/57/08/357385708.db2.gz RIHWXCODHACHMC-AVGNSLFASA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)C[C@H](N)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063125105 357531160 /nfs/dbraw/zinc/53/11/60/357531160.db2.gz LKNRSIMKILDFRD-AWEZNQCLSA-N 2 1 241.423 1.633 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)CC1CC[NH+](C)CC1 ZINC000063125105 357531163 /nfs/dbraw/zinc/53/11/63/357531163.db2.gz LKNRSIMKILDFRD-AWEZNQCLSA-N 2 1 241.423 1.633 20 0 BDADMP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(N)=O ZINC000230383053 357532239 /nfs/dbraw/zinc/53/22/39/357532239.db2.gz FKTKDSXASUMPRT-RYUDHWBXSA-N 2 1 247.342 1.232 20 0 BDADMP Cc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000158294420 538856610 /nfs/dbraw/zinc/85/66/10/538856610.db2.gz ODEXWCOPGQNGQF-GFCCVEGCSA-N 2 1 221.348 1.820 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CCN1C ZINC000230941135 357582350 /nfs/dbraw/zinc/58/23/50/357582350.db2.gz AWLILJZXUBHZOP-MFKMUULPSA-N 2 1 237.322 1.793 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2cscn2)CC[N@H+]1C ZINC000158882379 538869839 /nfs/dbraw/zinc/86/98/39/538869839.db2.gz CUMQIWGKGCUHRH-MNOVXSKESA-N 2 1 239.388 1.758 20 0 BDADMP CCN1CCC([NH2+][C@H](C)c2ccnn2C)CC1 ZINC000233472251 357724718 /nfs/dbraw/zinc/72/47/18/357724718.db2.gz XKEJHKZIVBSPFQ-LLVKDONJSA-N 2 1 236.363 1.555 20 0 BDADMP c1cn2c(cccc2C[NH2+]CCC[NH+]2CCC2)n1 ZINC000583273092 357786296 /nfs/dbraw/zinc/78/62/96/357786296.db2.gz FIDOXKMLBCTGBI-UHFFFAOYSA-N 2 1 244.342 1.520 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416251 357831852 /nfs/dbraw/zinc/83/18/52/357831852.db2.gz OKIUPOOPGULBGU-JSGCOSHPSA-N 2 1 242.407 2.000 20 0 BDADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)CC1(C)C ZINC000583760914 357936590 /nfs/dbraw/zinc/93/65/90/357936590.db2.gz ZPZKRHGJLFGSBT-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](C)O)CC1 ZINC000639985968 358026762 /nfs/dbraw/zinc/02/67/62/358026762.db2.gz GTCUHXXRBRFGQA-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000217482289 134246967 /nfs/dbraw/zinc/24/69/67/134246967.db2.gz FVYIOZKBMGZLHN-OCCSQVGLSA-N 2 1 239.407 1.578 20 0 BDADMP CCN(CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000217482289 134246968 /nfs/dbraw/zinc/24/69/68/134246968.db2.gz FVYIOZKBMGZLHN-OCCSQVGLSA-N 2 1 239.407 1.578 20 0 BDADMP COC1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000221113802 358076801 /nfs/dbraw/zinc/07/68/01/358076801.db2.gz RSDPBQUTSLKNKY-UNXYVOJBSA-N 2 1 212.337 1.095 20 0 BDADMP CC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261548463 535393105 /nfs/dbraw/zinc/39/31/05/535393105.db2.gz BKESALWPBIBZFW-GFCCVEGCSA-N 2 1 248.374 1.384 20 0 BDADMP CC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261548463 535393109 /nfs/dbraw/zinc/39/31/09/535393109.db2.gz BKESALWPBIBZFW-GFCCVEGCSA-N 2 1 248.374 1.384 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](O)(CC)C1 ZINC000640035854 358135756 /nfs/dbraw/zinc/13/57/56/358135756.db2.gz OARWHLRMHRMYEL-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1CCC(C)(F)CC1 ZINC000640071317 358160994 /nfs/dbraw/zinc/16/09/94/358160994.db2.gz JEOANYFJNYDVAT-NSHDSACASA-N 2 1 232.343 1.123 20 0 BDADMP CCN(C)C[C@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000640071317 358160997 /nfs/dbraw/zinc/16/09/97/358160997.db2.gz JEOANYFJNYDVAT-NSHDSACASA-N 2 1 232.343 1.123 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000218738105 134259749 /nfs/dbraw/zinc/25/97/49/134259749.db2.gz JNDJICDSFUGCLY-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000584839342 358199061 /nfs/dbraw/zinc/19/90/61/358199061.db2.gz ZNTCIOZATMXVLJ-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCCC(C)(C)C)C1CC1 ZINC000313461612 491124956 /nfs/dbraw/zinc/12/49/56/491124956.db2.gz OSKFDLOVPDRGHH-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCC(C)(C)C)C1CC1 ZINC000313461612 491124957 /nfs/dbraw/zinc/12/49/57/491124957.db2.gz OSKFDLOVPDRGHH-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000584867892 358207685 /nfs/dbraw/zinc/20/76/85/358207685.db2.gz ORMHYOQULKTYON-MCIONIFRSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000584867892 358207690 /nfs/dbraw/zinc/20/76/90/358207690.db2.gz ORMHYOQULKTYON-MCIONIFRSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000584867892 358207694 /nfs/dbraw/zinc/20/76/94/358207694.db2.gz ORMHYOQULKTYON-MCIONIFRSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324885 358372928 /nfs/dbraw/zinc/37/29/28/358372928.db2.gz UCBXPFFQLGHLJE-VXGBXAGGSA-N 2 1 222.332 1.942 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)nc1 ZINC000228337122 358374053 /nfs/dbraw/zinc/37/40/53/358374053.db2.gz BKKGLUXPCKBNQH-NEPJUHHUSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)nc1 ZINC000228337122 358374056 /nfs/dbraw/zinc/37/40/56/358374056.db2.gz BKKGLUXPCKBNQH-NEPJUHHUSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228336825 358374111 /nfs/dbraw/zinc/37/41/11/358374111.db2.gz IAUOFBXJOSMTKF-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228336825 358374112 /nfs/dbraw/zinc/37/41/12/358374112.db2.gz IAUOFBXJOSMTKF-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228328842 358374241 /nfs/dbraw/zinc/37/42/41/358374241.db2.gz JEJKDUKKJBNMBE-SKDRFNHKSA-N 2 1 222.336 1.040 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228328842 358374243 /nfs/dbraw/zinc/37/42/43/358374243.db2.gz JEJKDUKKJBNMBE-SKDRFNHKSA-N 2 1 222.336 1.040 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000229662102 358405885 /nfs/dbraw/zinc/40/58/85/358405885.db2.gz PSJKPCVKNZDOSO-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1CCCO1 ZINC000044510348 358388509 /nfs/dbraw/zinc/38/85/09/358388509.db2.gz BCDMCJMCPHYNAA-WOPDTQHZSA-N 2 1 212.337 1.367 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccno3)C[C@@H]21 ZINC000230047626 358391096 /nfs/dbraw/zinc/39/10/96/358391096.db2.gz RIYWGXPNENGPIK-ZMLRMANQSA-N 2 1 221.304 1.234 20 0 BDADMP CC[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623428300 358445364 /nfs/dbraw/zinc/44/53/64/358445364.db2.gz FVJHOTUNGVTRIF-NWDGAFQWSA-N 2 1 228.380 1.610 20 0 BDADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000130154386 358610916 /nfs/dbraw/zinc/61/09/16/358610916.db2.gz QBKNZEFZMHJDCV-WCQYABFASA-N 2 1 236.363 1.121 20 0 BDADMP C[NH+](C)C1(C[NH2+]C[C@H]2CCCOC2)CCCC1 ZINC000132005433 358704736 /nfs/dbraw/zinc/70/47/36/358704736.db2.gz LLIHXKWYHLPLMH-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP NC[C@@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000049312613 358681775 /nfs/dbraw/zinc/68/17/75/358681775.db2.gz WPKLATGQLYXEJA-VIFPVBQESA-N 2 1 240.269 1.379 20 0 BDADMP NC[C@@H]1CCC[N@H+]1CCCOCC(F)(F)F ZINC000049312613 358681779 /nfs/dbraw/zinc/68/17/79/358681779.db2.gz WPKLATGQLYXEJA-VIFPVBQESA-N 2 1 240.269 1.379 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000049312613 358681780 /nfs/dbraw/zinc/68/17/80/358681780.db2.gz WPKLATGQLYXEJA-VIFPVBQESA-N 2 1 240.269 1.379 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCOCC(F)(F)F ZINC000049312613 358681784 /nfs/dbraw/zinc/68/17/84/358681784.db2.gz WPKLATGQLYXEJA-VIFPVBQESA-N 2 1 240.269 1.379 20 0 BDADMP CCC(CC)C[N@@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000578241923 366468088 /nfs/dbraw/zinc/46/80/88/366468088.db2.gz ANCLQUOZWAKTNN-ZDUSSCGKSA-N 2 1 230.396 1.715 20 0 BDADMP C[N@@H+](C[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000219860129 134292005 /nfs/dbraw/zinc/29/20/05/134292005.db2.gz PCHJDPMOVTUYHV-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000308658655 491137631 /nfs/dbraw/zinc/13/76/31/491137631.db2.gz OTETWBRTEKHJFA-NSHDSACASA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000308658654 491137640 /nfs/dbraw/zinc/13/76/40/491137640.db2.gz OTETWBRTEKHJFA-LLVKDONJSA-N 2 1 202.342 1.029 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000135468174 358839850 /nfs/dbraw/zinc/83/98/50/358839850.db2.gz SVATXGIEJGOGIO-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000135468174 358839854 /nfs/dbraw/zinc/83/98/54/358839854.db2.gz SVATXGIEJGOGIO-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP C[N@H+]1CCCN(CCC[NH2+]CC(C)(C)C)CC1 ZINC000105476231 358973422 /nfs/dbraw/zinc/97/34/22/358973422.db2.gz LYPFJCURDSGCMR-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)CC1(C)C ZINC000623432734 358946211 /nfs/dbraw/zinc/94/62/11/358946211.db2.gz HZPDDPQXSUUNPD-WDEREUQCSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnn1C ZINC000071333394 359076635 /nfs/dbraw/zinc/07/66/35/359076635.db2.gz JIBKVKSYHZOVLH-NTZNESFSSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnn1C ZINC000071333394 359076641 /nfs/dbraw/zinc/07/66/41/359076641.db2.gz JIBKVKSYHZOVLH-NTZNESFSSA-N 2 1 236.363 1.238 20 0 BDADMP C[N@@H+](CCCCCO)CC[C@@H]1CCCC[NH+]1C ZINC000075860193 359229808 /nfs/dbraw/zinc/22/98/08/359229808.db2.gz KTDJOSAPPJJLEP-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP C[NH+](CCCCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860193 359229812 /nfs/dbraw/zinc/22/98/12/359229812.db2.gz KTDJOSAPPJJLEP-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP C[NH+](CCCCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000075860193 359229817 /nfs/dbraw/zinc/22/98/17/359229817.db2.gz KTDJOSAPPJJLEP-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)O ZINC000075861028 359230394 /nfs/dbraw/zinc/23/03/94/359230394.db2.gz ZCFHIGPKZPKTTO-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)O ZINC000075861028 359230400 /nfs/dbraw/zinc/23/04/00/359230400.db2.gz ZCFHIGPKZPKTTO-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)O ZINC000075861028 359230405 /nfs/dbraw/zinc/23/04/05/359230405.db2.gz ZCFHIGPKZPKTTO-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccn3)CC[C@H]21 ZINC000247954287 359249008 /nfs/dbraw/zinc/24/90/08/359249008.db2.gz FJPFYDWDUZMQLZ-UKRRQHHQSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccn3)CC[C@H]21 ZINC000247954287 359249013 /nfs/dbraw/zinc/24/90/13/359249013.db2.gz FJPFYDWDUZMQLZ-UKRRQHHQSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000247954287 359249017 /nfs/dbraw/zinc/24/90/17/359249017.db2.gz FJPFYDWDUZMQLZ-UKRRQHHQSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@H]21 ZINC000247954287 359249024 /nfs/dbraw/zinc/24/90/24/359249024.db2.gz FJPFYDWDUZMQLZ-UKRRQHHQSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000247452549 359222423 /nfs/dbraw/zinc/22/24/23/359222423.db2.gz ZXVPRCBYUXMDRZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000247452549 359222428 /nfs/dbraw/zinc/22/24/28/359222428.db2.gz ZXVPRCBYUXMDRZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000247452549 359222431 /nfs/dbraw/zinc/22/24/31/359222431.db2.gz ZXVPRCBYUXMDRZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CCCO1 ZINC000247452549 359222435 /nfs/dbraw/zinc/22/24/35/359222435.db2.gz ZXVPRCBYUXMDRZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000379549815 359548007 /nfs/dbraw/zinc/54/80/07/359548007.db2.gz MSKLUHWSHNPJKM-UTUOFQBUSA-N 2 1 210.365 1.948 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000379581139 359553945 /nfs/dbraw/zinc/55/39/45/359553945.db2.gz KFMASHHLPACFIR-MXWKQRLJSA-N 2 1 200.326 1.094 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000379581139 359553949 /nfs/dbraw/zinc/55/39/49/359553949.db2.gz KFMASHHLPACFIR-MXWKQRLJSA-N 2 1 200.326 1.094 20 0 BDADMP C[C@H]1C[C@@H](NCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379652684 359574631 /nfs/dbraw/zinc/57/46/31/359574631.db2.gz XRHVHBKABIFHNC-ZFWWWQNUSA-N 2 1 247.386 1.588 20 0 BDADMP CC[C@H]1[C@@H](CO)CC[N@H+]1CCC[NH+](CC)CC ZINC000451260885 202389544 /nfs/dbraw/zinc/38/95/44/202389544.db2.gz VDMSMDZFOJZUIJ-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000088102664 359937741 /nfs/dbraw/zinc/93/77/41/359937741.db2.gz HYBZFGDHMZTALY-AWEZNQCLSA-N 2 1 246.354 1.587 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000088102664 359937743 /nfs/dbraw/zinc/93/77/43/359937743.db2.gz HYBZFGDHMZTALY-AWEZNQCLSA-N 2 1 246.354 1.587 20 0 BDADMP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](C)[NH3+] ZINC000088194396 359941590 /nfs/dbraw/zinc/94/15/90/359941590.db2.gz DHHFMQBKFHOLRR-NEPJUHHUSA-N 2 1 236.359 1.905 20 0 BDADMP COc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000088194396 359941594 /nfs/dbraw/zinc/94/15/94/359941594.db2.gz DHHFMQBKFHOLRR-NEPJUHHUSA-N 2 1 236.359 1.905 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(COC)c2)C1 ZINC000088555237 359966071 /nfs/dbraw/zinc/96/60/71/359966071.db2.gz WJWZSZRJZIVTKH-HNNXBMFYSA-N 2 1 248.370 1.874 20 0 BDADMP Cc1n[nH]cc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253947 360159798 /nfs/dbraw/zinc/15/97/98/360159798.db2.gz QUPGLXINIHYLSF-GFCCVEGCSA-N 2 1 236.363 1.492 20 0 BDADMP CC[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000094948749 360328543 /nfs/dbraw/zinc/32/85/43/360328543.db2.gz IRCZHJLVPHKWEC-FUDCBSFHSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000094948750 360328670 /nfs/dbraw/zinc/32/86/70/360328670.db2.gz IRCZHJLVPHKWEC-RLAWYHOSSA-N 2 1 240.391 1.610 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)C1CC1 ZINC000629509367 361103459 /nfs/dbraw/zinc/10/34/59/361103459.db2.gz DKVMSEQDUOPGRR-KGYLQXTDSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@H](C[N@@H+](C)CCC[NH3+])C1CC1 ZINC000629515424 361114051 /nfs/dbraw/zinc/11/40/51/361114051.db2.gz SHIUYQKHVAYUOW-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP C[NH2+]CCOCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000629530963 361145866 /nfs/dbraw/zinc/14/58/66/361145866.db2.gz WCIGQANPIRCVKD-VIFPVBQESA-N 2 1 243.376 1.338 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043566 370674446 /nfs/dbraw/zinc/67/44/46/370674446.db2.gz DNBQYYDUGWQJTN-KXUCPTDWSA-N 2 1 218.291 1.619 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H](C)C(=O)NC ZINC000191803932 361366320 /nfs/dbraw/zinc/36/63/20/361366320.db2.gz VXRTUGHRCZSSGY-LBPRGKRZSA-N 2 1 243.395 1.032 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)CC[N@H+]1C ZINC000163170189 361388392 /nfs/dbraw/zinc/38/83/92/361388392.db2.gz GKKKQOSVWMMGMN-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000429528675 201113287 /nfs/dbraw/zinc/11/32/87/201113287.db2.gz NFCIRHWZMNOEOZ-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000629538312 361402517 /nfs/dbraw/zinc/40/25/17/361402517.db2.gz UFQUMSRBRCBJAH-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000629538312 361402518 /nfs/dbraw/zinc/40/25/18/361402518.db2.gz UFQUMSRBRCBJAH-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629543177 361421864 /nfs/dbraw/zinc/42/18/64/361421864.db2.gz VIBRCUXUDLLFBY-RQJABVFESA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629544719 361422982 /nfs/dbraw/zinc/42/29/82/361422982.db2.gz LYULJVVGRUQFDI-UMSGYPCISA-N 2 1 240.391 1.919 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1c[nH+]ccc1N ZINC000629546039 361427614 /nfs/dbraw/zinc/42/76/14/361427614.db2.gz FOWVBUBIYQUAGI-NURSFMCSSA-N 2 1 247.342 1.712 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000629546829 361429209 /nfs/dbraw/zinc/42/92/09/361429209.db2.gz XWYFIPVAZWRIED-CLPYTZEMSA-N 2 1 238.375 1.530 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000629553300 361438903 /nfs/dbraw/zinc/43/89/03/361438903.db2.gz IDNFIFLIHBOZFS-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629551808 361443840 /nfs/dbraw/zinc/44/38/40/361443840.db2.gz XSHMJWSYGFSMPP-CQDKDKBSSA-N 2 1 245.370 1.815 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000629542039 361417625 /nfs/dbraw/zinc/41/76/25/361417625.db2.gz XFYZCQURTVDSNK-KSTCHIGDSA-N 3 1 237.391 1.105 20 0 BDADMP Cc1nc(C)c(C[N@@H+](C)CCOCC[NH3+])s1 ZINC000629577431 361468329 /nfs/dbraw/zinc/46/83/29/361468329.db2.gz HTNUWCGXZMQGPM-UHFFFAOYSA-N 2 1 243.376 1.167 20 0 BDADMP CC(C)=CCC[N@@H+](C)CCOCC[NH3+] ZINC000629580974 361471225 /nfs/dbraw/zinc/47/12/25/361471225.db2.gz HYBDLHMGRZUIAB-UHFFFAOYSA-N 2 1 200.326 1.250 20 0 BDADMP Oc1cccc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000629582631 361472828 /nfs/dbraw/zinc/47/28/28/361472828.db2.gz VUSKARFSYBLHGD-GFCCVEGCSA-N 2 1 246.354 1.750 20 0 BDADMP Oc1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000629582631 361472835 /nfs/dbraw/zinc/47/28/35/361472835.db2.gz VUSKARFSYBLHGD-GFCCVEGCSA-N 2 1 246.354 1.750 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC2(CC2)CC1 ZINC000629586778 361475523 /nfs/dbraw/zinc/47/55/23/361475523.db2.gz VDWWUYBYJFWXDE-GFCCVEGCSA-N 2 1 226.364 1.223 20 0 BDADMP c1ccc(C[NH2+]CCC[NH2+]C2CC2)nc1 ZINC000163427946 361477478 /nfs/dbraw/zinc/47/74/78/361477478.db2.gz HPHRCIVOYCYURK-UHFFFAOYSA-N 2 1 205.305 1.313 20 0 BDADMP c1cncc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000163439695 361479720 /nfs/dbraw/zinc/47/97/20/361479720.db2.gz ZNVKCWOOTXEBHG-UHFFFAOYSA-N 2 1 205.305 1.313 20 0 BDADMP C/C=C\C[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000629595551 361481809 /nfs/dbraw/zinc/48/18/09/361481809.db2.gz SCWMEBMKVUNXFC-XQJDBVBESA-N 2 1 226.364 1.640 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1C(F)(F)F ZINC000629561777 361456552 /nfs/dbraw/zinc/45/65/52/361456552.db2.gz JGZHHOKESWXCBW-VHSXEESVSA-N 2 1 236.281 1.856 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)CCOC)[NH+]1CCCC1 ZINC000151711465 201174970 /nfs/dbraw/zinc/17/49/70/201174970.db2.gz ZHRBJMVGNRCRCZ-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP COCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152407921 201199204 /nfs/dbraw/zinc/19/92/04/201199204.db2.gz GMXVEPPFVIKQBT-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP COCCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152407921 201199206 /nfs/dbraw/zinc/19/92/06/201199206.db2.gz GMXVEPPFVIKQBT-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629655565 361560733 /nfs/dbraw/zinc/56/07/33/361560733.db2.gz ZTMOBAVEBBUPDG-FVCCEPFGSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648484 361540803 /nfs/dbraw/zinc/54/08/03/361540803.db2.gz PCWWUCKCESPWID-YPMHNXCESA-N 2 1 221.348 1.442 20 0 BDADMP Cc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629648639 361541629 /nfs/dbraw/zinc/54/16/29/361541629.db2.gz YARZQJKDUULHDW-PBWFPOADSA-N 2 1 231.343 1.763 20 0 BDADMP Cc1cnccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000629649065 361543087 /nfs/dbraw/zinc/54/30/87/361543087.db2.gz GXLPBIGNXFUVDZ-AAEUAGOBSA-N 2 1 219.332 1.620 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccn(C)c1 ZINC000629649895 361546850 /nfs/dbraw/zinc/54/68/50/361546850.db2.gz JVWCGXHAEUFATP-PWSUYJOCSA-N 2 1 207.321 1.337 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC1=CCCOC1)C2 ZINC000629649839 361546923 /nfs/dbraw/zinc/54/69/23/361546923.db2.gz HYLDUKPWKQVKHZ-OLZOCXBDSA-N 2 1 222.332 1.146 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC1=CCCOC1)C2 ZINC000629649839 361546926 /nfs/dbraw/zinc/54/69/26/361546926.db2.gz HYLDUKPWKQVKHZ-OLZOCXBDSA-N 2 1 222.332 1.146 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2=CCCOC2)[C@H]1CC[NH3+] ZINC000629650555 361548142 /nfs/dbraw/zinc/54/81/42/361548142.db2.gz VYTGZDOGCHKYDS-OCCSQVGLSA-N 2 1 238.375 1.782 20 0 BDADMP Cn1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000629652300 361549852 /nfs/dbraw/zinc/54/98/52/361549852.db2.gz ZBFWEKZTAMMSHE-UHFFFAOYSA-N 2 1 233.359 1.742 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)s1 ZINC000629653610 361553491 /nfs/dbraw/zinc/55/34/91/361553491.db2.gz RAQYPQJBRRGYJA-UHFFFAOYSA-N 2 1 242.388 1.724 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCCO1 ZINC000152359618 201195624 /nfs/dbraw/zinc/19/56/24/201195624.db2.gz BDVHJRWKFSPLOB-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CCCCO1 ZINC000152359618 201195628 /nfs/dbraw/zinc/19/56/28/201195628.db2.gz BDVHJRWKFSPLOB-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCCO1 ZINC000152359618 201195632 /nfs/dbraw/zinc/19/56/32/201195632.db2.gz BDVHJRWKFSPLOB-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@@H](C)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661465 361594187 /nfs/dbraw/zinc/59/41/87/361594187.db2.gz BEOQXQCUDNLUEE-RWMBFGLXSA-N 2 1 226.364 1.200 20 0 BDADMP CCc1ccc(C[N@@H+](C)CCOCC[NH3+])s1 ZINC000629661619 361594618 /nfs/dbraw/zinc/59/46/18/361594618.db2.gz DIKSVHUKRKAPQE-UHFFFAOYSA-N 2 1 242.388 1.718 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCCCO ZINC000310005423 491159078 /nfs/dbraw/zinc/15/90/78/491159078.db2.gz GKVYDXBPLBSHNS-STQMWFEESA-N 2 1 230.396 1.857 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCCCO ZINC000310005423 491159079 /nfs/dbraw/zinc/15/90/79/491159079.db2.gz GKVYDXBPLBSHNS-STQMWFEESA-N 2 1 230.396 1.857 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC(C)(C)C)CC1 ZINC000163806461 361582895 /nfs/dbraw/zinc/58/28/95/361582895.db2.gz OHAROBXYFWRSPF-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](CCF)C2)CC[NH2+]1 ZINC000629666483 361587408 /nfs/dbraw/zinc/58/74/08/361587408.db2.gz REMFRRTWIXWUHB-UPJWGTAASA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000435374562 201266010 /nfs/dbraw/zinc/26/60/10/201266010.db2.gz QSTXYWQUMAWRRG-GXTWGEPZSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000435374562 201266012 /nfs/dbraw/zinc/26/60/12/201266012.db2.gz QSTXYWQUMAWRRG-GXTWGEPZSA-N 2 1 218.344 1.898 20 0 BDADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC[NH2+]C)C1(C)C ZINC000435876916 201292034 /nfs/dbraw/zinc/29/20/34/201292034.db2.gz LOSVMFJMGOLOGQ-NWDGAFQWSA-N 2 1 228.380 1.731 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000435883567 201295874 /nfs/dbraw/zinc/29/58/74/201295874.db2.gz ZTTQKNHIHNQMEC-LLVKDONJSA-N 2 1 222.336 1.199 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000435884982 201296570 /nfs/dbraw/zinc/29/65/70/201296570.db2.gz ZHHAMYADXGYTDM-GFCCVEGCSA-N 2 1 236.363 1.209 20 0 BDADMP C[NH2+]CCCN1CCC(c2c[nH]cn2)CC1 ZINC000435874954 201293074 /nfs/dbraw/zinc/29/30/74/201293074.db2.gz ADNBTYSLYMCDHO-UHFFFAOYSA-N 3 1 222.336 1.199 20 0 BDADMP C[NH2+]CCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000435885528 201294676 /nfs/dbraw/zinc/29/46/76/201294676.db2.gz LCZMRTFURDYORZ-OAHLLOKOSA-N 2 1 248.370 1.578 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(CCC[NH2+]C)C1 ZINC000435881818 201294853 /nfs/dbraw/zinc/29/48/53/201294853.db2.gz QJXHPERSMWINQF-CYBMUJFWSA-N 2 1 227.396 1.260 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH2+]C)[C@H](C)C1 ZINC000435881903 201295447 /nfs/dbraw/zinc/29/54/47/201295447.db2.gz WNMPXXJPTYCTDH-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC[C@@H]3CCOC3)[C@@H]2C1 ZINC000437793073 201373665 /nfs/dbraw/zinc/37/36/65/201373665.db2.gz MUEFYKUZJQGAQT-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CC[C@@H]3CCOC3)[C@@H]2C1 ZINC000437793073 201373668 /nfs/dbraw/zinc/37/36/68/201373668.db2.gz MUEFYKUZJQGAQT-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CC[C@@H]3CCOC3)[C@@H]2C1 ZINC000437793073 201373672 /nfs/dbraw/zinc/37/36/72/201373672.db2.gz MUEFYKUZJQGAQT-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC[C@@H]3CCOC3)[C@@H]2C1 ZINC000437793073 201373674 /nfs/dbraw/zinc/37/36/74/201373674.db2.gz MUEFYKUZJQGAQT-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCCC[NH3+])C1 ZINC000437795884 201373680 /nfs/dbraw/zinc/37/36/80/201373680.db2.gz HHWPYKFTMNOIPF-ZFWWWQNUSA-N 2 1 247.386 1.760 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156093716 201398207 /nfs/dbraw/zinc/39/82/07/201398207.db2.gz USLBHJZIYQYGLI-UTUOFQBUSA-N 2 1 214.353 1.341 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H]2CCC[C@@H]21 ZINC000631670579 364203213 /nfs/dbraw/zinc/20/32/13/364203213.db2.gz BSZCCDXLUBVNHK-BJJPWKGXSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246513782 364599716 /nfs/dbraw/zinc/59/97/16/364599716.db2.gz UGUWOWOPXXZSDW-AVGNSLFASA-N 2 1 242.407 1.856 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000328376895 364841395 /nfs/dbraw/zinc/84/13/95/364841395.db2.gz UFSYIUORQXFZLU-REWJHTLYSA-N 2 1 238.375 1.221 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(CC)C1 ZINC000573574285 364865830 /nfs/dbraw/zinc/86/58/30/364865830.db2.gz QXCKUYGKNICCPR-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(CC)C1 ZINC000573574285 364865833 /nfs/dbraw/zinc/86/58/33/364865833.db2.gz QXCKUYGKNICCPR-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(CC)C1 ZINC000573574285 364865838 /nfs/dbraw/zinc/86/58/38/364865838.db2.gz QXCKUYGKNICCPR-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000574010072 364964745 /nfs/dbraw/zinc/96/47/45/364964745.db2.gz JBNHFINFLAHDBS-RFQIPJPRSA-N 2 1 240.391 1.874 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CCCCC(C)(C)C1 ZINC000574529365 365083445 /nfs/dbraw/zinc/08/34/45/365083445.db2.gz CITFKJNXVQLZHU-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC(C)(C)C1 ZINC000574529365 365083449 /nfs/dbraw/zinc/08/34/49/365083449.db2.gz CITFKJNXVQLZHU-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC(C)(C)C1 ZINC000574529365 365083452 /nfs/dbraw/zinc/08/34/52/365083452.db2.gz CITFKJNXVQLZHU-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC(C)(C)C1 ZINC000574529365 365083459 /nfs/dbraw/zinc/08/34/59/365083459.db2.gz CITFKJNXVQLZHU-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC(C)(C)C1 ZINC000574529365 365083462 /nfs/dbraw/zinc/08/34/62/365083462.db2.gz CITFKJNXVQLZHU-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000574749562 365132187 /nfs/dbraw/zinc/13/21/87/365132187.db2.gz KDBCVCJXZUUCLC-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000443064593 193011934 /nfs/dbraw/zinc/01/19/34/193011934.db2.gz YKAKGQXQHHUCOG-CQSZACIVSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc(N(C)C)n1 ZINC000443502034 193021746 /nfs/dbraw/zinc/02/17/46/193021746.db2.gz QNQUOYZULFPZCW-QWRGUYRKSA-N 2 1 249.362 1.071 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000579580987 366887198 /nfs/dbraw/zinc/88/71/98/366887198.db2.gz LTLHOGHNKICRKT-RYUDHWBXSA-N 2 1 227.396 1.304 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000579580986 366887444 /nfs/dbraw/zinc/88/74/44/366887444.db2.gz LTLHOGHNKICRKT-NWDGAFQWSA-N 2 1 227.396 1.304 20 0 BDADMP CCCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000575850647 365384528 /nfs/dbraw/zinc/38/45/28/365384528.db2.gz HPXVEYRANKOITC-FICVDOATSA-N 2 1 246.354 1.783 20 0 BDADMP C(C[NH2+]C[C@@H]1CCSC1)C[NH+]1CCC1 ZINC000576121459 365494762 /nfs/dbraw/zinc/49/47/62/365494762.db2.gz CCGDKOJQNABQEK-NSHDSACASA-N 2 1 214.378 1.425 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)C(C)C ZINC000579854940 367053569 /nfs/dbraw/zinc/05/35/69/367053569.db2.gz PRZKVBOQWHGCMA-OLZOCXBDSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)C(C)C ZINC000579854940 367053571 /nfs/dbraw/zinc/05/35/71/367053571.db2.gz PRZKVBOQWHGCMA-OLZOCXBDSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H](C)C(C)C ZINC000579854940 367053575 /nfs/dbraw/zinc/05/35/75/367053575.db2.gz PRZKVBOQWHGCMA-OLZOCXBDSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H](C)C(C)C ZINC000579854940 367053577 /nfs/dbraw/zinc/05/35/77/367053577.db2.gz PRZKVBOQWHGCMA-OLZOCXBDSA-N 2 1 230.396 1.665 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)CN(C)CC ZINC000380970778 367327000 /nfs/dbraw/zinc/32/70/00/367327000.db2.gz ALJTXPYELCAPPA-OLZOCXBDSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@@H](C)C[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000380970778 367327004 /nfs/dbraw/zinc/32/70/04/367327004.db2.gz ALJTXPYELCAPPA-OLZOCXBDSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000380970778 367327008 /nfs/dbraw/zinc/32/70/08/367327008.db2.gz ALJTXPYELCAPPA-OLZOCXBDSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@@H](C)C[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000380970778 367327012 /nfs/dbraw/zinc/32/70/12/367327012.db2.gz ALJTXPYELCAPPA-OLZOCXBDSA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@@H](C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000380970778 367327017 /nfs/dbraw/zinc/32/70/17/367327017.db2.gz ALJTXPYELCAPPA-OLZOCXBDSA-N 2 1 230.396 1.667 20 0 BDADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000382827202 367562462 /nfs/dbraw/zinc/56/24/62/367562462.db2.gz FGTGTFJQEAYGPV-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000382842647 367563433 /nfs/dbraw/zinc/56/34/33/367563433.db2.gz WUNCLMALACLXMJ-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)CN(C)CC ZINC000384040964 367669172 /nfs/dbraw/zinc/66/91/72/367669172.db2.gz UPKZBWHLPOTIBU-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000384040964 367669173 /nfs/dbraw/zinc/66/91/73/367669173.db2.gz UPKZBWHLPOTIBU-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000384040964 367669175 /nfs/dbraw/zinc/66/91/75/367669175.db2.gz UPKZBWHLPOTIBU-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000384040964 367669177 /nfs/dbraw/zinc/66/91/77/367669177.db2.gz UPKZBWHLPOTIBU-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000384040964 367669179 /nfs/dbraw/zinc/66/91/79/367669179.db2.gz UPKZBWHLPOTIBU-YNEHKIRRSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H](C)O1 ZINC000384678939 367715310 /nfs/dbraw/zinc/71/53/10/367715310.db2.gz AAZFELAOJPBSTM-VEGXAWMVSA-N 2 1 226.364 1.625 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H](C)O1 ZINC000384678939 367715317 /nfs/dbraw/zinc/71/53/17/367715317.db2.gz AAZFELAOJPBSTM-VEGXAWMVSA-N 2 1 226.364 1.625 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000385033255 367775645 /nfs/dbraw/zinc/77/56/45/367775645.db2.gz LJNKGCDGJFEOFD-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP C[C@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCCC[NH2+]1 ZINC000386066350 367908565 /nfs/dbraw/zinc/90/85/65/367908565.db2.gz YMOWEYIYSVJPSJ-AAEUAGOBSA-N 2 1 236.363 1.083 20 0 BDADMP C[C@H]([NH2+]CCn1cccn1)[C@@H]1CCCC[NH2+]1 ZINC000385988115 367892912 /nfs/dbraw/zinc/89/29/12/367892912.db2.gz ITSFKLXCSHSDQU-RYUDHWBXSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@@H]([NH2+]CCn1cccn1)[C@@H]1CCCC[NH2+]1 ZINC000385988098 367893163 /nfs/dbraw/zinc/89/31/63/367893163.db2.gz ITSFKLXCSHSDQU-NEPJUHHUSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385983826 367893283 /nfs/dbraw/zinc/89/32/83/367893283.db2.gz IFGYKDRFNMDHLQ-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]CCc1ccccn1)[C@@H]1CCCC[NH2+]1 ZINC000386546289 367991006 /nfs/dbraw/zinc/99/10/06/367991006.db2.gz FWHIXMIKUJVXLH-OCCSQVGLSA-N 2 1 233.359 1.744 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386387132 367959865 /nfs/dbraw/zinc/95/98/65/367959865.db2.gz FCFKSADYZMOJRN-IACUBPJLSA-N 2 1 242.407 1.904 20 0 BDADMP CC[N@H+](CC(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000386979679 368040306 /nfs/dbraw/zinc/04/03/06/368040306.db2.gz ZHMAUBQBLJGFMI-ZJUUUORDSA-N 2 1 220.307 1.962 20 0 BDADMP CC[N@@H+](CC(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000386979679 368040312 /nfs/dbraw/zinc/04/03/12/368040312.db2.gz ZHMAUBQBLJGFMI-ZJUUUORDSA-N 2 1 220.307 1.962 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000252775085 368061921 /nfs/dbraw/zinc/06/19/21/368061921.db2.gz JYTSSSUCOZXTHI-NOOOWODRSA-N 2 1 212.337 1.223 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](C)O ZINC000386768459 368019150 /nfs/dbraw/zinc/01/91/50/368019150.db2.gz JXPVAEHKKMFNCS-GXFFZTMASA-N 2 1 226.364 1.362 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000399537147 368175398 /nfs/dbraw/zinc/17/53/98/368175398.db2.gz XCYXGIUMRDSOJM-STQMWFEESA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)C(C)(C)C ZINC000399537147 368175405 /nfs/dbraw/zinc/17/54/05/368175405.db2.gz XCYXGIUMRDSOJM-STQMWFEESA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)C(C)(C)C ZINC000399537147 368175409 /nfs/dbraw/zinc/17/54/09/368175409.db2.gz XCYXGIUMRDSOJM-STQMWFEESA-N 2 1 244.423 1.913 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399537147 368175417 /nfs/dbraw/zinc/17/54/17/368175417.db2.gz XCYXGIUMRDSOJM-STQMWFEESA-N 2 1 244.423 1.913 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000399537147 368175425 /nfs/dbraw/zinc/17/54/25/368175425.db2.gz XCYXGIUMRDSOJM-STQMWFEESA-N 2 1 244.423 1.913 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)OC)C(C)C ZINC000567246705 326149577 /nfs/dbraw/zinc/14/95/77/326149577.db2.gz SDTKSAMDVXLIGV-STQMWFEESA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)OC)C(C)C ZINC000567246705 326149579 /nfs/dbraw/zinc/14/95/79/326149579.db2.gz SDTKSAMDVXLIGV-STQMWFEESA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)OC)C(C)C ZINC000567246705 326149581 /nfs/dbraw/zinc/14/95/81/326149581.db2.gz SDTKSAMDVXLIGV-STQMWFEESA-N 2 1 246.395 1.044 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000623657230 368998069 /nfs/dbraw/zinc/99/80/69/368998069.db2.gz LSWQXAYDKFHDEC-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657097 368998202 /nfs/dbraw/zinc/99/82/02/368998202.db2.gz JTKXDWJMUNYIJL-CYBMUJFWSA-N 2 1 235.375 1.847 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000623657733 368999088 /nfs/dbraw/zinc/99/90/88/368999088.db2.gz XQYBXVXKKWFJBJ-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000623657733 368999092 /nfs/dbraw/zinc/99/90/92/368999092.db2.gz XQYBXVXKKWFJBJ-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCCCO1)C2 ZINC000631830679 369009041 /nfs/dbraw/zinc/00/90/41/369009041.db2.gz YWSDOPVFFKJBHP-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000631827137 368991139 /nfs/dbraw/zinc/99/11/39/368991139.db2.gz GJXGMQFSTHLEAS-NAWOPXAZSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000623655868 368991254 /nfs/dbraw/zinc/99/12/54/368991254.db2.gz HUQJDWARACYUHJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000623655868 368991257 /nfs/dbraw/zinc/99/12/57/368991257.db2.gz HUQJDWARACYUHJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623655868 368991260 /nfs/dbraw/zinc/99/12/60/368991260.db2.gz HUQJDWARACYUHJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655868 368991261 /nfs/dbraw/zinc/99/12/61/368991261.db2.gz HUQJDWARACYUHJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655868 368991264 /nfs/dbraw/zinc/99/12/64/368991264.db2.gz HUQJDWARACYUHJ-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CCCCO1 ZINC000631827597 368992792 /nfs/dbraw/zinc/99/27/92/368992792.db2.gz RCVNEMUSOVQKAI-WDEREUQCSA-N 2 1 214.353 1.519 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CCCCO1 ZINC000631827594 368993321 /nfs/dbraw/zinc/99/33/21/368993321.db2.gz RCVNEMUSOVQKAI-GHMZBOCLSA-N 2 1 214.353 1.519 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836837 369084877 /nfs/dbraw/zinc/08/48/77/369084877.db2.gz HQZXUEVWTXVJOM-VXGBXAGGSA-N 2 1 219.332 1.417 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000459724297 203343335 /nfs/dbraw/zinc/34/33/35/203343335.db2.gz ALLLOZSGJHVWKI-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC2)C1 ZINC000459729272 203345822 /nfs/dbraw/zinc/34/58/22/203345822.db2.gz IWQPXXKRRPNWGL-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000459770670 203362068 /nfs/dbraw/zinc/36/20/68/203362068.db2.gz HSYOTESDMTXUPN-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000568180938 326321439 /nfs/dbraw/zinc/32/14/39/326321439.db2.gz GRFRIMGAOIQHOG-VOAKCMCISA-N 2 1 226.364 1.077 20 0 BDADMP CCOCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309620328 370236035 /nfs/dbraw/zinc/23/60/35/370236035.db2.gz GZABRTAJYZCJKK-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621379036 370322891 /nfs/dbraw/zinc/32/28/91/370322891.db2.gz KKGIXYCRFZEBJG-SECBINFHSA-N 2 1 218.291 1.716 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000568238552 326332362 /nfs/dbraw/zinc/33/23/62/326332362.db2.gz XKESUTKQDRLRCP-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN1Cc2ccccc2[C@@H]1C ZINC000621399842 370337943 /nfs/dbraw/zinc/33/79/43/370337943.db2.gz LEVCHFUJULKHPS-GXTWGEPZSA-N 2 1 248.370 1.876 20 0 BDADMP CCn1nccc1CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000621775166 370521641 /nfs/dbraw/zinc/52/16/41/370521641.db2.gz HWYVVWCAVTUHPE-CYBMUJFWSA-N 2 1 238.379 1.409 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000621775221 370522802 /nfs/dbraw/zinc/52/28/02/370522802.db2.gz IVMVTYVVQCDKJE-DGCLKSJQSA-N 2 1 236.363 1.115 20 0 BDADMP CCn1nccc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000621775835 370523336 /nfs/dbraw/zinc/52/33/36/370523336.db2.gz ZWFPZYMXQPXLBX-TZMCWYRMSA-N 2 1 248.374 1.129 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000621775835 370523343 /nfs/dbraw/zinc/52/33/43/370523343.db2.gz ZWFPZYMXQPXLBX-TZMCWYRMSA-N 2 1 248.374 1.129 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000621776291 370524738 /nfs/dbraw/zinc/52/47/38/370524738.db2.gz IBGSZWHVSOGUHL-YPMHNXCESA-N 2 1 236.363 1.257 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccn1 ZINC000621776589 370525889 /nfs/dbraw/zinc/52/58/89/370525889.db2.gz PQFDCLPQCZJVGG-SMDDNHRTSA-N 2 1 233.359 1.807 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782698 370532545 /nfs/dbraw/zinc/53/25/45/370532545.db2.gz RPVDZYMWOROMIS-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782698 370532548 /nfs/dbraw/zinc/53/25/48/370532548.db2.gz RPVDZYMWOROMIS-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C1CCC1 ZINC000621783444 370534303 /nfs/dbraw/zinc/53/43/03/370534303.db2.gz BLEFTWCKCUWDOQ-MJBXVCDLSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC1CCC1)C2 ZINC000621783439 370534324 /nfs/dbraw/zinc/53/43/24/370534324.db2.gz BLBYCVNFZMQEIT-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP CC[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)[NH+]1CCCC1 ZINC000631040041 370997936 /nfs/dbraw/zinc/99/79/36/370997936.db2.gz OBFJVEOIUYNIKC-ZDUSSCGKSA-N 2 1 249.358 1.751 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631045393 371037491 /nfs/dbraw/zinc/03/74/91/371037491.db2.gz DTFFARUCCFSUQX-UHFFFAOYSA-N 2 1 246.314 1.472 20 0 BDADMP O=c1[nH]cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000624260390 371447516 /nfs/dbraw/zinc/44/75/16/371447516.db2.gz MFQDSTXFRXKKOS-UHFFFAOYSA-N 2 1 247.342 1.504 20 0 BDADMP CO[C@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@@H]1C ZINC000230310989 371889601 /nfs/dbraw/zinc/88/96/01/371889601.db2.gz QDZUJMFRRGTMMC-UWVGGRQHSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@@H]1C ZINC000230310989 371889608 /nfs/dbraw/zinc/88/96/08/371889608.db2.gz QDZUJMFRRGTMMC-UWVGGRQHSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000230463871 371914721 /nfs/dbraw/zinc/91/47/21/371914721.db2.gz JAJJHFKDIIARNX-RKQHYHRCSA-N 2 1 238.375 1.242 20 0 BDADMP Cc1nccc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)n1 ZINC000631328133 372296544 /nfs/dbraw/zinc/29/65/44/372296544.db2.gz WJWRDJSTNFAAJY-NEPJUHHUSA-N 2 1 232.331 1.173 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000631823365 372600802 /nfs/dbraw/zinc/60/08/02/372600802.db2.gz CKJNWRULJVDYQC-VJTDZRGJSA-N 2 1 238.375 1.471 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000631821699 372597154 /nfs/dbraw/zinc/59/71/54/372597154.db2.gz GFZLPTJRAXNRSS-PWSUYJOCSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000631821699 372597160 /nfs/dbraw/zinc/59/71/60/372597160.db2.gz GFZLPTJRAXNRSS-PWSUYJOCSA-N 2 1 234.347 1.344 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631827982 372609385 /nfs/dbraw/zinc/60/93/85/372609385.db2.gz BHTGVOBNCRJMJN-QMVSFRDZSA-N 2 1 240.391 1.717 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000631830666 372614300 /nfs/dbraw/zinc/61/43/00/372614300.db2.gz YMVANNUNFRUACK-AVGNSLFASA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000631830666 372614304 /nfs/dbraw/zinc/61/43/04/372614304.db2.gz YMVANNUNFRUACK-AVGNSLFASA-N 2 1 224.348 1.369 20 0 BDADMP CC(C)OCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833282 372616920 /nfs/dbraw/zinc/61/69/20/372616920.db2.gz XFZNASFMJUTFRW-LBPRGKRZSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)OCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833282 372616925 /nfs/dbraw/zinc/61/69/25/372616925.db2.gz XFZNASFMJUTFRW-LBPRGKRZSA-N 2 1 214.353 1.615 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000631834055 372619099 /nfs/dbraw/zinc/61/90/99/372619099.db2.gz NUDNSFAPILJSJK-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+][C@@H]1CCCCCN(C[C@H]2CCOC2)C1 ZINC000631834055 372619104 /nfs/dbraw/zinc/61/91/04/372619104.db2.gz NUDNSFAPILJSJK-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000631837791 372628594 /nfs/dbraw/zinc/62/85/94/372628594.db2.gz WYEZSTRLFDTPHY-OUAUKWLOSA-N 2 1 232.318 1.948 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000631837788 372628725 /nfs/dbraw/zinc/62/87/25/372628725.db2.gz WYEZSTRLFDTPHY-GMTAPVOTSA-N 2 1 232.318 1.948 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000631838708 372632183 /nfs/dbraw/zinc/63/21/83/372632183.db2.gz TXUDBDPKQUAAEV-CMPLNLGQSA-N 2 1 205.305 1.108 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842642 372640400 /nfs/dbraw/zinc/64/04/00/372640400.db2.gz CZNASGPBJWVEIJ-GZMMTYOYSA-N 2 1 223.320 1.318 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631842783 372641514 /nfs/dbraw/zinc/64/15/14/372641514.db2.gz FSDDHOORHKTCAZ-GXTWGEPZSA-N 2 1 248.370 1.764 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000631861449 372661919 /nfs/dbraw/zinc/66/19/19/372661919.db2.gz BNTSWGUKFKTLDW-YUSALJHKSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000631861449 372661923 /nfs/dbraw/zinc/66/19/23/372661923.db2.gz BNTSWGUKFKTLDW-YUSALJHKSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000631861448 372662401 /nfs/dbraw/zinc/66/24/01/372662401.db2.gz BNTSWGUKFKTLDW-MVWJERBFSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000631861448 372662406 /nfs/dbraw/zinc/66/24/06/372662406.db2.gz BNTSWGUKFKTLDW-MVWJERBFSA-N 2 1 212.337 1.223 20 0 BDADMP FC(F)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000631865802 372666515 /nfs/dbraw/zinc/66/65/15/372666515.db2.gz ONBAVKDNWJFJQS-GHMZBOCLSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000631865802 372666521 /nfs/dbraw/zinc/66/65/21/372666521.db2.gz ONBAVKDNWJFJQS-GHMZBOCLSA-N 2 1 248.317 1.342 20 0 BDADMP COCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888684 372683541 /nfs/dbraw/zinc/68/35/41/372683541.db2.gz YTWMZQUCGUCXQA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888684 372683548 /nfs/dbraw/zinc/68/35/48/372683548.db2.gz YTWMZQUCGUCXQA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP Cc1c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cnn1C ZINC000414901929 205782376 /nfs/dbraw/zinc/78/23/76/205782376.db2.gz JXQGZILJGAXDFN-CYBMUJFWSA-N 2 1 236.363 1.208 20 0 BDADMP CCCn1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414937140 205790760 /nfs/dbraw/zinc/79/07/60/205790760.db2.gz CIDMZVKZDSAYEW-YPMHNXCESA-N 2 1 236.363 1.381 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000069860952 373891884 /nfs/dbraw/zinc/89/18/84/373891884.db2.gz ATQXREDGOJREHP-PWSUYJOCSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cn[nH]c1 ZINC000424378656 206040336 /nfs/dbraw/zinc/04/03/36/206040336.db2.gz NZXGBTHTTJJBAO-PSASIEDQSA-N 2 1 244.289 1.305 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430130226 206061592 /nfs/dbraw/zinc/06/15/92/206061592.db2.gz WDDBXEBOLZXFKB-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430130226 206061596 /nfs/dbraw/zinc/06/15/96/206061596.db2.gz WDDBXEBOLZXFKB-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430130226 206061600 /nfs/dbraw/zinc/06/16/00/206061600.db2.gz WDDBXEBOLZXFKB-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cncn2C)CCCO1 ZINC000459426274 206126320 /nfs/dbraw/zinc/12/63/20/206126320.db2.gz DGVJWVQLNQVKTP-CYBMUJFWSA-N 2 1 237.347 1.464 20 0 BDADMP O=C1NCC[C@@H]1[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000328685591 183026555 /nfs/dbraw/zinc/02/65/55/183026555.db2.gz XPKJAEGMZZRHHY-NEPJUHHUSA-N 2 1 247.298 1.264 20 0 BDADMP OCC[N@@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000132298998 183066410 /nfs/dbraw/zinc/06/64/10/183066410.db2.gz RUSNOEBOGSGLDV-UHFFFAOYSA-N 2 1 240.391 1.613 20 0 BDADMP OCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000132298775 183067807 /nfs/dbraw/zinc/06/78/07/183067807.db2.gz REWYRPBOHJOMDU-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371207664 183075696 /nfs/dbraw/zinc/07/56/96/183075696.db2.gz LQGWBJMRPRNSRU-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP OCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371207664 183075697 /nfs/dbraw/zinc/07/56/97/183075697.db2.gz LQGWBJMRPRNSRU-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCCC[NH+](CC)CC ZINC000355477126 169069574 /nfs/dbraw/zinc/06/95/74/169069574.db2.gz YCIYRIJVMHUUGM-UHFFFAOYSA-N 2 1 243.395 1.176 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCO)C1 ZINC000304548362 169078210 /nfs/dbraw/zinc/07/82/10/169078210.db2.gz BUUMIHPZQYMYPI-CYBMUJFWSA-N 2 1 228.380 1.423 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCO)C1 ZINC000304548362 169078213 /nfs/dbraw/zinc/07/82/13/169078213.db2.gz BUUMIHPZQYMYPI-CYBMUJFWSA-N 2 1 228.380 1.423 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCO)C1 ZINC000304548362 169078214 /nfs/dbraw/zinc/07/82/14/169078214.db2.gz BUUMIHPZQYMYPI-CYBMUJFWSA-N 2 1 228.380 1.423 20 0 BDADMP O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310321140 183189800 /nfs/dbraw/zinc/18/98/00/183189800.db2.gz YTHYXNDBKJKCPJ-UONOGXRCSA-N 2 1 238.375 1.506 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC000120892437 169121238 /nfs/dbraw/zinc/12/12/38/169121238.db2.gz GFSDHEMPCHSARK-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000353073199 169127801 /nfs/dbraw/zinc/12/78/01/169127801.db2.gz ORMHYOQULKTYON-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000353073199 169127803 /nfs/dbraw/zinc/12/78/03/169127803.db2.gz ORMHYOQULKTYON-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000353073199 169127806 /nfs/dbraw/zinc/12/78/06/169127806.db2.gz ORMHYOQULKTYON-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCOC2)CC1 ZINC000336694309 169186663 /nfs/dbraw/zinc/18/66/63/169186663.db2.gz IZXCYIYCCKMNBF-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CC[C@H](C)O)CC1 ZINC000336684821 169187113 /nfs/dbraw/zinc/18/71/13/169187113.db2.gz VDIZAVFIENUNBF-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093210643 169189685 /nfs/dbraw/zinc/18/96/85/169189685.db2.gz HYNKZMJBJZAVPH-TZMCWYRMSA-N 3 1 239.407 1.720 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000336780081 169197497 /nfs/dbraw/zinc/19/74/97/169197497.db2.gz QJEHOSOPPDADKV-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000336780081 169197498 /nfs/dbraw/zinc/19/74/98/169197498.db2.gz QJEHOSOPPDADKV-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000250197604 183338706 /nfs/dbraw/zinc/33/87/06/183338706.db2.gz ZBIOELPCFAJBEO-CABCVRRESA-N 2 1 245.370 1.841 20 0 BDADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c[nH]1 ZINC000080773704 183349245 /nfs/dbraw/zinc/34/92/45/183349245.db2.gz CGPIPRDIGOYKFE-UHFFFAOYSA-N 2 1 219.332 1.731 20 0 BDADMP CCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000308518684 169269349 /nfs/dbraw/zinc/26/93/49/169269349.db2.gz NUUVGPQJBQTXCL-UHFFFAOYSA-N 2 1 213.350 1.704 20 0 BDADMP CCC[C@@H](C)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402084 169365699 /nfs/dbraw/zinc/36/56/99/169365699.db2.gz CYDYXHOMRIVOFT-SECBINFHSA-N 2 1 240.351 1.884 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402084 169365700 /nfs/dbraw/zinc/36/57/00/169365700.db2.gz CYDYXHOMRIVOFT-SECBINFHSA-N 2 1 240.351 1.884 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000224572171 134348592 /nfs/dbraw/zinc/34/85/92/134348592.db2.gz LWKQILSUPXENCC-QJPTWQEYSA-N 2 1 228.380 1.730 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313090359 383866856 /nfs/dbraw/zinc/86/68/56/383866856.db2.gz ACQLIBKQBBEQLB-XUXIUFHCSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)c1ccccn1)C[NH+](C)C ZINC000293836818 383868685 /nfs/dbraw/zinc/86/86/85/383868685.db2.gz WTGCVUIYSPJRIH-RYUDHWBXSA-N 2 1 221.348 1.930 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309312754 383870333 /nfs/dbraw/zinc/87/03/33/383870333.db2.gz FMRDEDTUDKXRNO-CHWSQXEVSA-N 3 1 229.412 1.822 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000309312754 383870337 /nfs/dbraw/zinc/87/03/37/383870337.db2.gz FMRDEDTUDKXRNO-CHWSQXEVSA-N 3 1 229.412 1.822 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000301047627 383877212 /nfs/dbraw/zinc/87/72/12/383877212.db2.gz PREGJHUKTDYAOU-LBPRGKRZSA-N 2 1 216.369 1.576 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031993318 383906885 /nfs/dbraw/zinc/90/68/85/383906885.db2.gz GEIYMUUPANMKOQ-HNNXBMFYSA-N 2 1 246.354 1.751 20 0 BDADMP C[N@H+](Cc1ccncc1)CC1CC[NH2+]CC1 ZINC000036776475 383910281 /nfs/dbraw/zinc/91/02/81/383910281.db2.gz OFXBNGOAWZHXBE-UHFFFAOYSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCOC1 ZINC000111164153 383933468 /nfs/dbraw/zinc/93/34/68/383933468.db2.gz ZQPJQWRGBPNXEP-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546757 384018068 /nfs/dbraw/zinc/01/80/68/384018068.db2.gz UNQZLSVPRYLOEF-AGIUHOORSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc(C)[nH+]1 ZINC000292443684 384029265 /nfs/dbraw/zinc/02/92/65/384029265.db2.gz YNNHAZSFVWKQRD-AWEZNQCLSA-N 2 1 246.358 1.625 20 0 BDADMP Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)nc(C)[nH+]1 ZINC000292443684 384029271 /nfs/dbraw/zinc/02/92/71/384029271.db2.gz YNNHAZSFVWKQRD-AWEZNQCLSA-N 2 1 246.358 1.625 20 0 BDADMP CCOC[C@@H]1CCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000313216726 384055102 /nfs/dbraw/zinc/05/51/02/384055102.db2.gz RSTMMMSNHRYIDJ-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+]CCc1c[nH+]cn1C ZINC000560355596 384090934 /nfs/dbraw/zinc/09/09/34/384090934.db2.gz DYSYCHWLQKGQLQ-NSHDSACASA-N 2 1 233.315 1.776 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CC23CCOCC3)CC1 ZINC000336536363 384091414 /nfs/dbraw/zinc/09/14/14/384091414.db2.gz DFNAGQFQTCDULS-LBPRGKRZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1N(CC[C@H]2CCC[N@H+]2C)CCOC1(C)C ZINC000336552016 384114377 /nfs/dbraw/zinc/11/43/77/384114377.db2.gz DHNUPDWSHSBJEI-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000163205842 384165354 /nfs/dbraw/zinc/16/53/54/384165354.db2.gz UWJSIAYIXWCVSO-STQMWFEESA-N 2 1 234.343 1.735 20 0 BDADMP Cc1csc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000400324344 384186951 /nfs/dbraw/zinc/18/69/51/384186951.db2.gz CWYMFWPEFXNCRG-QWRGUYRKSA-N 2 1 239.388 1.724 20 0 BDADMP CC[N@H+](CCC1CC1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351585481 384195453 /nfs/dbraw/zinc/19/54/53/384195453.db2.gz YUWHXNOHKSMISO-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](CCC1CC1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351585481 384195456 /nfs/dbraw/zinc/19/54/56/384195456.db2.gz YUWHXNOHKSMISO-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CCC1CC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351585481 384195462 /nfs/dbraw/zinc/19/54/62/384195462.db2.gz YUWHXNOHKSMISO-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CCC1CC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351585481 384195467 /nfs/dbraw/zinc/19/54/67/384195467.db2.gz YUWHXNOHKSMISO-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@@H]2CCC[C@@H]21 ZINC000560530687 384198049 /nfs/dbraw/zinc/19/80/49/384198049.db2.gz RPSXBZIXFCPJMG-AVGNSLFASA-N 2 1 234.347 1.372 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@@H]2CCC[C@@H]21 ZINC000560530687 384198050 /nfs/dbraw/zinc/19/80/50/384198050.db2.gz RPSXBZIXFCPJMG-AVGNSLFASA-N 2 1 234.347 1.372 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000400960422 533049442 /nfs/dbraw/zinc/04/94/42/533049442.db2.gz INNYHZYVRXJAGD-FUNVUKJBSA-N 2 1 224.348 1.380 20 0 BDADMP Cc1cnccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000304356654 384212489 /nfs/dbraw/zinc/21/24/89/384212489.db2.gz HKGVOHVEAMJONA-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP CCc1nc(N(C)[C@H](C[NH3+])C2CC2)cc(C)[nH+]1 ZINC000302508423 384219047 /nfs/dbraw/zinc/21/90/47/384219047.db2.gz MQYSOFGAOPDQBP-LLVKDONJSA-N 2 1 234.347 1.521 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000082645459 384252842 /nfs/dbraw/zinc/25/28/42/384252842.db2.gz KNYZEJJRHDJDDL-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]([NH2+]CCc1cn(C)cn1)[C@@H]1CCCC[NH2+]1 ZINC000313309631 384253391 /nfs/dbraw/zinc/25/33/91/384253391.db2.gz VMFFHLQLOKXFQG-AAEUAGOBSA-N 2 1 236.363 1.083 20 0 BDADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000644166483 384255441 /nfs/dbraw/zinc/25/54/41/384255441.db2.gz NXWXFRHQBSXDOG-YRGRVCCFSA-N 2 1 248.374 1.657 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)C1CC[NH+](C)CC1 ZINC000644166653 384256888 /nfs/dbraw/zinc/25/68/88/384256888.db2.gz LABWNFWGHYKIRN-IACUBPJLSA-N 2 1 239.407 1.576 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000427973431 384258281 /nfs/dbraw/zinc/25/82/81/384258281.db2.gz QQBXGALIAWAKAU-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1ccsc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313340370 384270058 /nfs/dbraw/zinc/27/00/58/384270058.db2.gz MEKUKHICQOBDBH-LLVKDONJSA-N 2 1 240.372 1.606 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC000173903234 384284715 /nfs/dbraw/zinc/28/47/15/384284715.db2.gz GVLWVAGJDOGKSV-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000173903234 384284718 /nfs/dbraw/zinc/28/47/18/384284718.db2.gz GVLWVAGJDOGKSV-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000173903234 384284723 /nfs/dbraw/zinc/28/47/23/384284723.db2.gz GVLWVAGJDOGKSV-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000228858870 384345757 /nfs/dbraw/zinc/34/57/57/384345757.db2.gz ZHLRSKLQCTZZLG-JSGCOSHPSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229057164 384416487 /nfs/dbraw/zinc/41/64/87/384416487.db2.gz LAXLFGMSEYMUOV-OLZOCXBDSA-N 2 1 233.359 1.807 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000647512831 384417633 /nfs/dbraw/zinc/41/76/33/384417633.db2.gz FMIXNZIHGWMFTD-AWEZNQCLSA-N 2 1 234.343 1.824 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000647512831 384417639 /nfs/dbraw/zinc/41/76/39/384417639.db2.gz FMIXNZIHGWMFTD-AWEZNQCLSA-N 2 1 234.343 1.824 20 0 BDADMP COCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000647513977 384428030 /nfs/dbraw/zinc/42/80/30/384428030.db2.gz ZLYGULLJDAXEEN-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccnn1C ZINC000278904472 384461185 /nfs/dbraw/zinc/46/11/85/384461185.db2.gz ZRZGEPICRPNFIU-NSHDSACASA-N 2 1 234.347 1.333 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000148560971 384469339 /nfs/dbraw/zinc/46/93/39/384469339.db2.gz OGBDGTGOKFWUIT-CYBMUJFWSA-N 2 1 224.348 1.382 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000647515737 384458395 /nfs/dbraw/zinc/45/83/95/384458395.db2.gz GUFUAUFVDFCDFO-CYBMUJFWSA-N 2 1 228.380 1.326 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCOC1 ZINC000161723139 384519213 /nfs/dbraw/zinc/51/92/13/384519213.db2.gz OQRWKVHAZRFHTH-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCCOC1 ZINC000161723139 384519216 /nfs/dbraw/zinc/51/92/16/384519216.db2.gz OQRWKVHAZRFHTH-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCCOC1 ZINC000161723139 384519219 /nfs/dbraw/zinc/51/92/19/384519219.db2.gz OQRWKVHAZRFHTH-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249834683 384521688 /nfs/dbraw/zinc/52/16/88/384521688.db2.gz QOTPVCHSKADSDY-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1cncc(C[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000304607355 384525558 /nfs/dbraw/zinc/52/55/58/384525558.db2.gz REUNFJOTAVZVJA-CYBMUJFWSA-N 2 1 221.348 1.853 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428030580 384554157 /nfs/dbraw/zinc/55/41/57/384554157.db2.gz IOEFXVGIPXTFHG-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643058137 384561364 /nfs/dbraw/zinc/56/13/64/384561364.db2.gz FVGNVJVGFQPPCC-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CSC2(C)C)CC[N@@H+]1C ZINC000336745204 384562312 /nfs/dbraw/zinc/56/23/12/384562312.db2.gz BBUXSSAPENWRQY-MXWKQRLJSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CSC2(C)C)CC[N@H+]1C ZINC000336745204 384562321 /nfs/dbraw/zinc/56/23/21/384562321.db2.gz BBUXSSAPENWRQY-MXWKQRLJSA-N 2 1 228.405 1.953 20 0 BDADMP CC1(C)C[N@@H+](CCC[NH3+])C(C)(C)CO1 ZINC000643057886 384562443 /nfs/dbraw/zinc/56/24/43/384562443.db2.gz UZRZXUBNNFDPLT-UHFFFAOYSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309750363 384580018 /nfs/dbraw/zinc/58/00/18/384580018.db2.gz GODXGLXDGAZTDP-UWVGGRQHSA-N 2 1 232.318 1.962 20 0 BDADMP [NH3+]CCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000643058240 384564685 /nfs/dbraw/zinc/56/46/85/384564685.db2.gz ZSNHELFYHAITAK-LBPRGKRZSA-N 2 1 208.280 1.921 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000643058240 384564697 /nfs/dbraw/zinc/56/46/97/384564697.db2.gz ZSNHELFYHAITAK-LBPRGKRZSA-N 2 1 208.280 1.921 20 0 BDADMP Cc1nnsc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000309785679 384608327 /nfs/dbraw/zinc/60/83/27/384608327.db2.gz SMCKBGYYVPUGIS-WCBMZHEXSA-N 2 1 240.376 1.276 20 0 BDADMP COC[C@H](C)[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000363577288 384619723 /nfs/dbraw/zinc/61/97/23/384619723.db2.gz LEJUNQAWCAAGMS-XUXIUFHCSA-N 2 1 238.375 1.437 20 0 BDADMP Cc1cccnc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647530940 384622113 /nfs/dbraw/zinc/62/21/13/384622113.db2.gz QKBITXIFVKVNHV-UHFFFAOYSA-N 2 1 219.332 1.703 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309766150 384595458 /nfs/dbraw/zinc/59/54/58/384595458.db2.gz NTCQBSJPJQBIHT-UPJWGTAASA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309766150 384595467 /nfs/dbraw/zinc/59/54/67/384595467.db2.gz NTCQBSJPJQBIHT-UPJWGTAASA-N 2 1 228.380 1.610 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000647538031 384663914 /nfs/dbraw/zinc/66/39/14/384663914.db2.gz CPZFYUYVPSNRSO-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCN1 ZINC000647531658 384634750 /nfs/dbraw/zinc/63/47/50/384634750.db2.gz PBVLFSZABSQFCN-MGPQQGTHSA-N 2 1 239.407 1.304 20 0 BDADMP CC(C)[C@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000647531658 384634755 /nfs/dbraw/zinc/63/47/55/384634755.db2.gz PBVLFSZABSQFCN-MGPQQGTHSA-N 2 1 239.407 1.304 20 0 BDADMP CCCCNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000104314224 384680361 /nfs/dbraw/zinc/68/03/61/384680361.db2.gz UWERLBOPUGTXFB-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CCCCNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000104314224 384680366 /nfs/dbraw/zinc/68/03/66/384680366.db2.gz UWERLBOPUGTXFB-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP Nc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000647541379 384684375 /nfs/dbraw/zinc/68/43/75/384684375.db2.gz DGMJGUUZLDDYLL-LBPRGKRZSA-N 2 1 234.347 1.197 20 0 BDADMP C[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+](C)C ZINC000052047755 384714947 /nfs/dbraw/zinc/71/49/47/384714947.db2.gz BJAWVGPZEXPKDY-SNVBAGLBSA-N 2 1 220.320 1.573 20 0 BDADMP C[N@H+]1CC[C@H](NCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423187681 384719208 /nfs/dbraw/zinc/71/92/08/384719208.db2.gz LFBJXKYSXWWKCT-LSDHHAIUSA-N 2 1 247.386 1.760 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])CCc1cccs1 ZINC000357073545 384773799 /nfs/dbraw/zinc/77/37/99/384773799.db2.gz MCLGLQWILQSRCC-UHFFFAOYSA-N 2 1 242.388 1.588 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300413371 384775287 /nfs/dbraw/zinc/77/52/87/384775287.db2.gz BFEBXNJHRLCPOD-MJBXVCDLSA-N 2 1 240.391 1.611 20 0 BDADMP COc1ccccc1C1([NH2+]CCC[NH3+])CC1 ZINC000647553028 384779150 /nfs/dbraw/zinc/77/91/50/384779150.db2.gz RGYRZLPFAGIPJS-UHFFFAOYSA-N 2 1 220.316 1.623 20 0 BDADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309958567 384744049 /nfs/dbraw/zinc/74/40/49/384744049.db2.gz JXQJRZLVWVEMIZ-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CNC[C@@H](C)C1)[C@H]1CCCO1 ZINC000647549659 384746642 /nfs/dbraw/zinc/74/66/42/384746642.db2.gz LJPGNMNNFRLGHP-ZDEQEGDKSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)[C@H]1CCCO1 ZINC000647549659 384746649 /nfs/dbraw/zinc/74/66/49/384746649.db2.gz LJPGNMNNFRLGHP-ZDEQEGDKSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000647550512 384747397 /nfs/dbraw/zinc/74/73/97/384747397.db2.gz VHYHAURSUDPQMW-QWHCGFSZSA-N 2 1 240.391 1.517 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]C1 ZINC000647548219 384750218 /nfs/dbraw/zinc/75/02/18/384750218.db2.gz ZONFGWLCVXAUNP-OLZOCXBDSA-N 3 1 237.391 1.250 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163388268 384754067 /nfs/dbraw/zinc/75/40/67/384754067.db2.gz LAXLFGMSEYMUOV-QWHCGFSZSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000062053659 384759562 /nfs/dbraw/zinc/75/95/62/384759562.db2.gz WEHRCZWJISNBRA-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000062053659 384759570 /nfs/dbraw/zinc/75/95/70/384759570.db2.gz WEHRCZWJISNBRA-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CCC[NH3+])CCOCC2 ZINC000647553103 384764091 /nfs/dbraw/zinc/76/40/91/384764091.db2.gz AZFFCUFVKWZNRK-NSHDSACASA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CC(C)(C)[NH3+])CCOCC2 ZINC000647553207 384769146 /nfs/dbraw/zinc/76/91/46/384769146.db2.gz IXLKMDGTGAFVDI-LLVKDONJSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H](C[NH3+])N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398184694 384833009 /nfs/dbraw/zinc/83/30/09/384833009.db2.gz ILEDWMWURYAKEZ-IPYPFGDCSA-N 2 1 247.386 1.586 20 0 BDADMP C[C@H](CF)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000306366850 384897015 /nfs/dbraw/zinc/89/70/15/384897015.db2.gz JWHTUYWVFHYVCL-OUAUKWLOSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H](CF)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000306366850 384897020 /nfs/dbraw/zinc/89/70/20/384897020.db2.gz JWHTUYWVFHYVCL-OUAUKWLOSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340162975 384898484 /nfs/dbraw/zinc/89/84/84/384898484.db2.gz HUHJSKFCPDPVPU-QEJZJMRPSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340162975 384898492 /nfs/dbraw/zinc/89/84/92/384898492.db2.gz HUHJSKFCPDPVPU-QEJZJMRPSA-N 2 1 248.370 1.792 20 0 BDADMP c1cncc([C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000568512260 384908196 /nfs/dbraw/zinc/90/81/96/384908196.db2.gz RJMOLRKMHXJEOO-HIFRSBDPSA-N 2 1 245.370 1.871 20 0 BDADMP CC[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000644521913 384926103 /nfs/dbraw/zinc/92/61/03/384926103.db2.gz AWRUXZJIHSGQCN-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404284703 384966833 /nfs/dbraw/zinc/96/68/33/384966833.db2.gz CENVSGZYKXIFDB-JTQLQIEISA-N 2 1 225.361 1.621 20 0 BDADMP CCOc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574303 384980172 /nfs/dbraw/zinc/98/01/72/384980172.db2.gz SIRHJJZAVZPVMM-OKILXGFUSA-N 2 1 246.354 1.737 20 0 BDADMP CCOc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574303 384980178 /nfs/dbraw/zinc/98/01/78/384980178.db2.gz SIRHJJZAVZPVMM-OKILXGFUSA-N 2 1 246.354 1.737 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)[C@@H](C)C1 ZINC000643911625 384987024 /nfs/dbraw/zinc/98/70/24/384987024.db2.gz ZXVVOTLLGNNSHJ-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000644589435 384992104 /nfs/dbraw/zinc/99/21/04/384992104.db2.gz FVBRQLAAYHTNMR-RYUDHWBXSA-N 2 1 243.395 1.173 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000404472527 385017738 /nfs/dbraw/zinc/01/77/38/385017738.db2.gz SIYWXXOEJHEMNF-OUAUKWLOSA-N 2 1 239.388 1.948 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000404472527 385017744 /nfs/dbraw/zinc/01/77/44/385017744.db2.gz SIYWXXOEJHEMNF-OUAUKWLOSA-N 2 1 239.388 1.948 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)NC(C)(C)C ZINC000404765794 385056675 /nfs/dbraw/zinc/05/66/75/385056675.db2.gz GEJWOSLBHDPZPN-IVZWLZJFSA-N 2 1 241.379 1.005 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359224922 385072387 /nfs/dbraw/zinc/07/23/87/385072387.db2.gz UDRCTXBJRDTOOB-GXTWGEPZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000359224922 385072396 /nfs/dbraw/zinc/07/23/96/385072396.db2.gz UDRCTXBJRDTOOB-GXTWGEPZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000647207606 385077320 /nfs/dbraw/zinc/07/73/20/385077320.db2.gz BHFRBEJHLDSBDC-RJZJGCCBSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)O ZINC000340501498 385079805 /nfs/dbraw/zinc/07/98/05/385079805.db2.gz IUUAQBWYFUKVLD-UTUOFQBUSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)O ZINC000340501498 385079811 /nfs/dbraw/zinc/07/98/11/385079811.db2.gz IUUAQBWYFUKVLD-UTUOFQBUSA-N 2 1 228.380 1.608 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCC1(C)CC1)C1CC1 ZINC000644635416 385036740 /nfs/dbraw/zinc/03/67/40/385036740.db2.gz HXNLHRTVLIVTRQ-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1(C)CC1)C1CC1 ZINC000644635416 385036749 /nfs/dbraw/zinc/03/67/49/385036749.db2.gz HXNLHRTVLIVTRQ-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@](C)(C[NH3+])C2)c1 ZINC000234946260 385038228 /nfs/dbraw/zinc/03/82/28/385038228.db2.gz CGLLYXHGXWNHKT-AWEZNQCLSA-N 2 1 249.358 1.569 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1COCC1(C)C ZINC000313006201 385106632 /nfs/dbraw/zinc/10/66/32/385106632.db2.gz QKMCYNOFIXVKIU-LLVKDONJSA-N 2 1 223.320 1.206 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480265 385161844 /nfs/dbraw/zinc/16/18/44/385161844.db2.gz IDTVIGBPAMPMFR-OCCSQVGLSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480265 385161850 /nfs/dbraw/zinc/16/18/50/385161850.db2.gz IDTVIGBPAMPMFR-OCCSQVGLSA-N 2 1 248.374 1.682 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000305161633 385200729 /nfs/dbraw/zinc/20/07/29/385200729.db2.gz XFGFYVWIPYTKKR-MRVWCRGKSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130127140 385222653 /nfs/dbraw/zinc/22/26/53/385222653.db2.gz VFEZPABTLHQQFR-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000164648128 385225314 /nfs/dbraw/zinc/22/53/14/385225314.db2.gz BBHURMWWUXPILH-YPMHNXCESA-N 2 1 226.364 1.330 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000164648239 385225772 /nfs/dbraw/zinc/22/57/72/385225772.db2.gz BBHURMWWUXPILH-AAEUAGOBSA-N 2 1 226.364 1.330 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000108324001 385232352 /nfs/dbraw/zinc/23/23/52/385232352.db2.gz CGECBUXDRCIOCS-OLZOCXBDSA-N 2 1 210.365 1.964 20 0 BDADMP C[N@H+](Cc1ccc(N)nc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487278 385251198 /nfs/dbraw/zinc/25/11/98/385251198.db2.gz URCMHLCVBKHMKQ-FUNVUKJBSA-N 2 1 246.358 1.209 20 0 BDADMP C[N@@H+](Cc1ccc(N)nc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487278 385251202 /nfs/dbraw/zinc/25/12/02/385251202.db2.gz URCMHLCVBKHMKQ-FUNVUKJBSA-N 2 1 246.358 1.209 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CCC[NH3+] ZINC000237031742 385253260 /nfs/dbraw/zinc/25/32/60/385253260.db2.gz UMLUECFJZDETAC-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000308946048 385308012 /nfs/dbraw/zinc/30/80/12/385308012.db2.gz NRUHENCPWAQXIT-QWHCGFSZSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000291670393 385291655 /nfs/dbraw/zinc/29/16/55/385291655.db2.gz GGMWGPPAXJUXOU-NSHDSACASA-N 2 1 223.320 1.008 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCn2cccn2)[C@@H]1C ZINC000316795306 385330942 /nfs/dbraw/zinc/33/09/42/385330942.db2.gz GNNSJHICLCLTGS-UPJWGTAASA-N 2 1 236.363 1.331 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCn2cccn2)[C@@H]1C ZINC000316795306 385330945 /nfs/dbraw/zinc/33/09/45/385330945.db2.gz GNNSJHICLCLTGS-UPJWGTAASA-N 2 1 236.363 1.331 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000308995553 385337521 /nfs/dbraw/zinc/33/75/21/385337521.db2.gz PKKIRYLIWSNUPT-JBLDHEPKSA-N 2 1 207.321 1.826 20 0 BDADMP CCSCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309012215 385358948 /nfs/dbraw/zinc/35/89/48/385358948.db2.gz XPYPGOPQFHJUQM-UHFFFAOYSA-N 2 1 228.405 1.956 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000192546461 385360087 /nfs/dbraw/zinc/36/00/87/385360087.db2.gz ZYOKHKAIRKWDKW-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000192546461 385360090 /nfs/dbraw/zinc/36/00/90/385360090.db2.gz ZYOKHKAIRKWDKW-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644736173 385364780 /nfs/dbraw/zinc/36/47/80/385364780.db2.gz HQXNIVBQIYDOBU-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@@H]2CCN(CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000644736173 385364785 /nfs/dbraw/zinc/36/47/85/385364785.db2.gz HQXNIVBQIYDOBU-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1C[C@@H]2CCN(CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000644736173 385364789 /nfs/dbraw/zinc/36/47/89/385364789.db2.gz HQXNIVBQIYDOBU-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCOC(F)(F)F)CC[N@H+]1C ZINC000158225908 385370757 /nfs/dbraw/zinc/37/07/57/385370757.db2.gz YZMAXNISVMVEHE-DTWKUNHWSA-N 2 1 240.269 1.595 20 0 BDADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000180194307 385385609 /nfs/dbraw/zinc/38/56/09/385385609.db2.gz DENKZZUOTMJVRW-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1C[C@@H]2CCN(CC[NH+]3CCCCC3)[C@@H]2C1 ZINC000644736610 385386871 /nfs/dbraw/zinc/38/68/71/385386871.db2.gz OHVOVXHMZAVVEM-UONOGXRCSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CCCN1CCCC1 ZINC000308972972 385326955 /nfs/dbraw/zinc/32/69/55/385326955.db2.gz AXMUBTPBZGYXQV-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP CCOc1ccc(C[N@H+](C)CCC[NH3+])nc1 ZINC000647497018 385398781 /nfs/dbraw/zinc/39/87/81/385398781.db2.gz TYJHISKLRVLCKA-UHFFFAOYSA-N 2 1 223.320 1.261 20 0 BDADMP CCOc1ccc(C[N@@H+](C)CCC[NH3+])nc1 ZINC000647497018 385398784 /nfs/dbraw/zinc/39/87/84/385398784.db2.gz TYJHISKLRVLCKA-UHFFFAOYSA-N 2 1 223.320 1.261 20 0 BDADMP CC[C@H]1C[N@@H+](CC(C)(C)COC)CC[C@H]1[NH3+] ZINC000647497867 385408074 /nfs/dbraw/zinc/40/80/74/385408074.db2.gz YLSMGJYOPYQVMY-NWDGAFQWSA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000647497724 385408259 /nfs/dbraw/zinc/40/82/59/385408259.db2.gz SNSADKUQHBWWJJ-DGAVXFQQSA-N 3 1 239.407 1.434 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000156176994 385440298 /nfs/dbraw/zinc/44/02/98/385440298.db2.gz AAPWCFGKKRMBMA-OAHLLOKOSA-N 2 1 248.370 1.562 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000194349436 385432114 /nfs/dbraw/zinc/43/21/14/385432114.db2.gz KOAYODIMJQGWLR-LBPRGKRZSA-N 2 1 246.358 1.558 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000194349436 385432115 /nfs/dbraw/zinc/43/21/15/385432115.db2.gz KOAYODIMJQGWLR-LBPRGKRZSA-N 2 1 246.358 1.558 20 0 BDADMP CC[C@@](C)(C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)OC ZINC000318959088 385530640 /nfs/dbraw/zinc/53/06/40/385530640.db2.gz CGJBBZDYTXASNE-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+][C@H]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000643030413 385525186 /nfs/dbraw/zinc/52/51/86/385525186.db2.gz RMKPQJSTNYWVDG-IUCAKERBSA-N 2 1 231.303 1.640 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000643030414 385526261 /nfs/dbraw/zinc/52/62/61/385526261.db2.gz RMKPQJSTNYWVDG-RKDXNWHRSA-N 2 1 231.303 1.640 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000309409203 385572190 /nfs/dbraw/zinc/57/21/90/385572190.db2.gz WJTIXTVFACKOHE-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000309409203 385572191 /nfs/dbraw/zinc/57/21/91/385572191.db2.gz WJTIXTVFACKOHE-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252982770 385579007 /nfs/dbraw/zinc/57/90/07/385579007.db2.gz XYCKNLRUKZIDLS-GHMZBOCLSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252982770 385579009 /nfs/dbraw/zinc/57/90/09/385579009.db2.gz XYCKNLRUKZIDLS-GHMZBOCLSA-N 2 1 222.336 1.072 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CC[NH2+]C3)c2c1C ZINC000647707546 385585949 /nfs/dbraw/zinc/58/59/49/385585949.db2.gz XINUNBXHKUGSNA-SNVBAGLBSA-N 2 1 245.330 1.596 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000309459428 385589756 /nfs/dbraw/zinc/58/97/56/385589756.db2.gz RLVHBXXXSOYWAR-JHJVBQTASA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000309459428 385589765 /nfs/dbraw/zinc/58/97/65/385589765.db2.gz RLVHBXXXSOYWAR-JHJVBQTASA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000309459429 385591026 /nfs/dbraw/zinc/59/10/26/385591026.db2.gz RLVHBXXXSOYWAR-UPJWGTAASA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000309459429 385591029 /nfs/dbraw/zinc/59/10/29/385591029.db2.gz RLVHBXXXSOYWAR-UPJWGTAASA-N 3 1 225.380 1.330 20 0 BDADMP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000337376814 385629395 /nfs/dbraw/zinc/62/93/95/385629395.db2.gz AYBNCHMIRKFRME-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+](CCN[C@@H]1C[NH+](C)C[C@@H]1C)C1CC1 ZINC000309493209 385613367 /nfs/dbraw/zinc/61/33/67/385613367.db2.gz XSHOKEULVPPQDY-WCQYABFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH+](C)C[C@@H]1C)C1CC1 ZINC000309493209 385613374 /nfs/dbraw/zinc/61/33/74/385613374.db2.gz XSHOKEULVPPQDY-WCQYABFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@H+](C)C[C@@H]1C)C1CC1 ZINC000309493209 385613376 /nfs/dbraw/zinc/61/33/76/385613376.db2.gz XSHOKEULVPPQDY-WCQYABFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000309493209 385613381 /nfs/dbraw/zinc/61/33/81/385613381.db2.gz XSHOKEULVPPQDY-WCQYABFASA-N 2 1 225.380 1.010 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCOC1)C1CCCCC1 ZINC000414853176 385686751 /nfs/dbraw/zinc/68/67/51/385686751.db2.gz SAQOSVJHEFYHNX-JSGCOSHPSA-N 2 1 240.391 1.910 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+](C)CC1 ZINC000309595048 385717913 /nfs/dbraw/zinc/71/79/13/385717913.db2.gz VYKPWPHBMVTUSJ-LLVKDONJSA-N 2 1 222.332 1.894 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291778534 385698292 /nfs/dbraw/zinc/69/82/92/385698292.db2.gz UPLVOZYFLDQRMI-SECBINFHSA-N 2 1 224.352 1.314 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000414858136 385729048 /nfs/dbraw/zinc/72/90/48/385729048.db2.gz IAXIUDCTLJAFRL-UHFFFAOYSA-N 2 1 244.342 1.571 20 0 BDADMP Cc1nnc(CN(C)CCCn2cc[nH+]c2C)[nH]1 ZINC000270690832 385730746 /nfs/dbraw/zinc/73/07/46/385730746.db2.gz WEZPCNKMZMHIMT-UHFFFAOYSA-N 2 1 248.334 1.140 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc2cccc(C)n12 ZINC000414858436 385734353 /nfs/dbraw/zinc/73/43/53/385734353.db2.gz JGZZTHMPKUCCCK-UHFFFAOYSA-N 2 1 232.331 1.342 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000414862677 385755585 /nfs/dbraw/zinc/75/55/85/385755585.db2.gz WERGHQWCPVEGOL-UHFFFAOYSA-N 2 1 224.352 1.238 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000309628609 385756076 /nfs/dbraw/zinc/75/60/76/385756076.db2.gz HELKCSNNIMSIPE-JHJVBQTASA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000336737173 385760328 /nfs/dbraw/zinc/76/03/28/385760328.db2.gz JFCUVJCDLZKWNK-UMSGYPCISA-N 2 1 226.364 1.077 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309657331 385776801 /nfs/dbraw/zinc/77/68/01/385776801.db2.gz QJPBXYWFVPNJAC-AGIUHOORSA-N 2 1 226.364 1.077 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000221903048 385780288 /nfs/dbraw/zinc/78/02/88/385780288.db2.gz MPBZMSWWWNNUSI-WCQYABFASA-N 2 1 249.358 1.520 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000221903048 385780293 /nfs/dbraw/zinc/78/02/93/385780293.db2.gz MPBZMSWWWNNUSI-WCQYABFASA-N 2 1 249.358 1.520 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000162200327 385803688 /nfs/dbraw/zinc/80/36/88/385803688.db2.gz KMENJHUBIJXLIX-DTWKUNHWSA-N 2 1 225.723 1.909 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000336740536 385806365 /nfs/dbraw/zinc/80/63/65/385806365.db2.gz MIWIKPIRYAVFGE-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)n1nccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414946654 385808965 /nfs/dbraw/zinc/80/89/65/385808965.db2.gz UPOFBUODAWMTCL-UHFFFAOYSA-N 2 1 236.363 1.696 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(c3cc(CO)ccn3)C2)C1 ZINC000310995877 385830127 /nfs/dbraw/zinc/83/01/27/385830127.db2.gz UFQNVKOGPISWPY-AWEZNQCLSA-N 2 1 247.342 1.106 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@@H+]1CC=CCC1 ZINC000336740979 385836202 /nfs/dbraw/zinc/83/62/02/385836202.db2.gz QOLOLRIVAOMTID-UHFFFAOYSA-N 2 1 217.316 1.486 20 0 BDADMP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000336740863 385839133 /nfs/dbraw/zinc/83/91/33/385839133.db2.gz MPQQVQWOCRMDTA-PWSUYJOCSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000336740863 385839140 /nfs/dbraw/zinc/83/91/40/385839140.db2.gz MPQQVQWOCRMDTA-PWSUYJOCSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccs1 ZINC000336740863 385839142 /nfs/dbraw/zinc/83/91/42/385839142.db2.gz MPQQVQWOCRMDTA-PWSUYJOCSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@@H]1OCC[C@@H]1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414956476 385846486 /nfs/dbraw/zinc/84/64/86/385846486.db2.gz ORNPAOGTBVJOLO-CQDKDKBSSA-N 2 1 246.354 1.640 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414961256 385883595 /nfs/dbraw/zinc/88/35/95/385883595.db2.gz YRGGMINVWWCHLM-ZJUUUORDSA-N 2 1 239.388 1.936 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000414961974 385889267 /nfs/dbraw/zinc/88/92/67/385889267.db2.gz ZLEPSDXVELHJAQ-DGAVXFQQSA-N 2 1 239.407 1.447 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000414961974 385889273 /nfs/dbraw/zinc/88/92/73/385889273.db2.gz ZLEPSDXVELHJAQ-DGAVXFQQSA-N 3 1 239.407 1.447 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000414961974 385889276 /nfs/dbraw/zinc/88/92/76/385889276.db2.gz ZLEPSDXVELHJAQ-DGAVXFQQSA-N 3 1 239.407 1.447 20 0 BDADMP COc1ccsc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414963583 385897776 /nfs/dbraw/zinc/89/77/76/385897776.db2.gz UFXSRFCKWYBYTB-ZJUUUORDSA-N 2 1 240.372 1.844 20 0 BDADMP Cc1cccc(C)c1OCC[N@@H+](C)CCC[NH3+] ZINC000647847528 385899051 /nfs/dbraw/zinc/89/90/51/385899051.db2.gz QWJHEDUPTLQBST-UHFFFAOYSA-N 2 1 236.359 1.963 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000250953082 385929829 /nfs/dbraw/zinc/92/98/29/385929829.db2.gz IVEWLYKGGAHAHK-NWDGAFQWSA-N 2 1 249.358 1.581 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000342077439 385920681 /nfs/dbraw/zinc/92/06/81/385920681.db2.gz BUTMMRJJPPQKEP-YUTCNCBUSA-N 2 1 246.358 1.344 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000342077439 385920689 /nfs/dbraw/zinc/92/06/89/385920689.db2.gz BUTMMRJJPPQKEP-YUTCNCBUSA-N 2 1 246.358 1.344 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336741466 385859397 /nfs/dbraw/zinc/85/93/97/385859397.db2.gz RCTCEVZWTWHTPQ-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336741466 385859399 /nfs/dbraw/zinc/85/93/99/385859399.db2.gz RCTCEVZWTWHTPQ-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCOC1 ZINC000250800512 385927966 /nfs/dbraw/zinc/92/79/66/385927966.db2.gz BIPLKOCMJCGGSZ-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP CN1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000335019881 385977442 /nfs/dbraw/zinc/97/74/42/385977442.db2.gz WNFVFHGSBPLWBU-TZMCWYRMSA-N 2 1 245.370 1.247 20 0 BDADMP CN1C[C@H](C[NH2+][C@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000335019879 385977801 /nfs/dbraw/zinc/97/78/01/385977801.db2.gz WNFVFHGSBPLWBU-JSGCOSHPSA-N 2 1 245.370 1.247 20 0 BDADMP CN1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000335019878 385978416 /nfs/dbraw/zinc/97/84/16/385978416.db2.gz WNFVFHGSBPLWBU-GXTWGEPZSA-N 2 1 245.370 1.247 20 0 BDADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)[C@H]1CCCO1 ZINC000335018937 385978951 /nfs/dbraw/zinc/97/89/51/385978951.db2.gz XJQXXIDZECADQB-GFCCVEGCSA-N 2 1 224.348 1.383 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](OC)C2CC2)CC1 ZINC000425415319 385985393 /nfs/dbraw/zinc/98/53/93/385985393.db2.gz FRGKODJLSOKRPS-CQSZACIVSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](OC)C2CC2)CC1 ZINC000425415319 385985399 /nfs/dbraw/zinc/98/53/99/385985399.db2.gz FRGKODJLSOKRPS-CQSZACIVSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1cc(F)c(F)cc1F ZINC000414878191 385935094 /nfs/dbraw/zinc/93/50/94/385935094.db2.gz OBMCTJSKINTTFD-ZETCQYMHSA-N 2 1 232.249 1.788 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC1(C)C)c1c[nH+]ccc1N ZINC000335043109 385936064 /nfs/dbraw/zinc/93/60/64/385936064.db2.gz NKVADYWSYYNWEA-KCJUWKMLSA-N 2 1 205.305 1.943 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H]1C(F)F ZINC000342192677 385941346 /nfs/dbraw/zinc/94/13/46/385941346.db2.gz BKWWDGWLIRDVDB-ZJUUUORDSA-N 2 1 241.285 1.891 20 0 BDADMP CC[NH+](CC)CCCN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000338287808 385942969 /nfs/dbraw/zinc/94/29/69/385942969.db2.gz WBNAFGNUDADJCC-ZIAGYGMSSA-N 2 1 241.423 1.743 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)O1 ZINC000309256109 385997575 /nfs/dbraw/zinc/99/75/75/385997575.db2.gz GKCQIWUERKJXDV-YVECIDJPSA-N 2 1 224.348 1.238 20 0 BDADMP Cc1noc(C)c1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000335066241 386003347 /nfs/dbraw/zinc/00/33/47/386003347.db2.gz RPLUMYXPENLEAX-JSGCOSHPSA-N 2 1 249.358 1.817 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1nccn1-c1ccccc1 ZINC000414882833 386020896 /nfs/dbraw/zinc/02/08/96/386020896.db2.gz UQIXGGGQOZRQQT-GFCCVEGCSA-N 2 1 244.342 1.557 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976524 386022759 /nfs/dbraw/zinc/02/27/59/386022759.db2.gz OGKJPFCFXLNDRQ-OLZOCXBDSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977154 386030391 /nfs/dbraw/zinc/03/03/91/386030391.db2.gz PDIYLEPUGPAWPF-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414978821 386034777 /nfs/dbraw/zinc/03/47/77/386034777.db2.gz SOJCKGXRBWSJFY-HIFRSBDPSA-N 2 1 247.386 1.283 20 0 BDADMP CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343274788 386039684 /nfs/dbraw/zinc/03/96/84/386039684.db2.gz WTRWTVXICVOYKP-BFHYXJOUSA-N 2 1 240.391 1.923 20 0 BDADMP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000414239382 386053037 /nfs/dbraw/zinc/05/30/37/386053037.db2.gz YODYYBFKIVKJSD-BXUZGUMPSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000345188405 386055371 /nfs/dbraw/zinc/05/53/71/386055371.db2.gz KMNRBZUBHITANS-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)C(C)C ZINC000414295420 386103730 /nfs/dbraw/zinc/10/37/30/386103730.db2.gz NUYMTKLBMRUSSC-YIYPIFLZSA-N 2 1 242.407 1.854 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)C(C)C ZINC000414295420 386103732 /nfs/dbraw/zinc/10/37/32/386103732.db2.gz NUYMTKLBMRUSSC-YIYPIFLZSA-N 2 1 242.407 1.854 20 0 BDADMP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000414986665 386114530 /nfs/dbraw/zinc/11/45/30/386114530.db2.gz YBERNONCKMTWKN-LBPRGKRZSA-N 2 1 222.332 1.912 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414981698 386068150 /nfs/dbraw/zinc/06/81/50/386068150.db2.gz QYPAFJWLMGUKKF-ZDUSSCGKSA-N 2 1 244.342 1.904 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414983344 386071311 /nfs/dbraw/zinc/07/13/11/386071311.db2.gz TUFREAYMMBAJQW-GFCCVEGCSA-N 2 1 235.331 1.472 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCC12CCCC2 ZINC000340240655 386071676 /nfs/dbraw/zinc/07/16/76/386071676.db2.gz VVWKQBKPCIMZQL-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1[C@H](C)NCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647941194 386081012 /nfs/dbraw/zinc/08/10/12/386081012.db2.gz CKDDCMBCZUPEOB-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1[C@H](C)NCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647941194 386081016 /nfs/dbraw/zinc/08/10/16/386081016.db2.gz CKDDCMBCZUPEOB-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1F ZINC000414887486 386089585 /nfs/dbraw/zinc/08/95/85/386089585.db2.gz DQYKUNLIIXLPST-GFCCVEGCSA-N 2 1 238.306 1.661 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)[C@@H](C)O1 ZINC000414282464 386094475 /nfs/dbraw/zinc/09/44/75/386094475.db2.gz NXBJNCIQQDFOKC-DHGKCCLASA-N 2 1 240.391 1.730 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414985699 386098249 /nfs/dbraw/zinc/09/82/49/386098249.db2.gz WRCXULXUFXTMJM-LLVKDONJSA-N 2 1 232.331 1.400 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CO)C1 ZINC000414662495 386098579 /nfs/dbraw/zinc/09/85/79/386098579.db2.gz ACIPFRRKBQIQHK-NWDGAFQWSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CO)C1 ZINC000414662495 386098584 /nfs/dbraw/zinc/09/85/84/386098584.db2.gz ACIPFRRKBQIQHK-NWDGAFQWSA-N 2 1 214.353 1.064 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)CC1(CO)CC1 ZINC000190010086 386144709 /nfs/dbraw/zinc/14/47/09/386144709.db2.gz CAVIOSYGCJYJCX-UHFFFAOYSA-N 2 1 240.391 1.567 20 0 BDADMP CC[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000647878434 386159958 /nfs/dbraw/zinc/15/99/58/386159958.db2.gz HKKAZCHOKVMNTM-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414681682 386164281 /nfs/dbraw/zinc/16/42/81/386164281.db2.gz PRWYYGXEDWZNTH-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414681686 386165058 /nfs/dbraw/zinc/16/50/58/386165058.db2.gz PRWYYGXEDWZNTH-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc1 ZINC000130578515 386175651 /nfs/dbraw/zinc/17/56/51/386175651.db2.gz NBEPZNVJGFLVEE-CFVMTHIKSA-N 2 1 245.370 1.949 20 0 BDADMP CC(C)C[C@@H]1COCC[N@@H+]1CCC[NH3+] ZINC000414691807 386187892 /nfs/dbraw/zinc/18/78/92/386187892.db2.gz JQOWIUDVWNWGHV-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1CCC[NH3+] ZINC000414691807 386187899 /nfs/dbraw/zinc/18/78/99/386187899.db2.gz JQOWIUDVWNWGHV-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414890420 386127416 /nfs/dbraw/zinc/12/74/16/386127416.db2.gz HHOFCHJDBKVKGO-CQSZACIVSA-N 2 1 247.342 1.472 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414890498 386134063 /nfs/dbraw/zinc/13/40/63/386134063.db2.gz HKNJKMVKKPVVTN-ZDUSSCGKSA-N 2 1 204.317 1.822 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000647880993 386207778 /nfs/dbraw/zinc/20/77/78/386207778.db2.gz OGQBGRCPYVVAMC-LLVKDONJSA-N 2 1 222.336 1.199 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2sccc2OC)C1 ZINC000347062661 386209758 /nfs/dbraw/zinc/20/97/58/386209758.db2.gz IJJWGGDHBVAPGB-JTQLQIEISA-N 2 1 240.372 1.798 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2sccc2OC)C1 ZINC000347062661 386209762 /nfs/dbraw/zinc/20/97/62/386209762.db2.gz IJJWGGDHBVAPGB-JTQLQIEISA-N 2 1 240.372 1.798 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000339012223 386210471 /nfs/dbraw/zinc/21/04/71/386210471.db2.gz WGFRVINCPZRPLK-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000339012223 386210477 /nfs/dbraw/zinc/21/04/77/386210477.db2.gz WGFRVINCPZRPLK-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000339012223 386210481 /nfs/dbraw/zinc/21/04/81/386210481.db2.gz WGFRVINCPZRPLK-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](C[NH2+]Cc1cccc(O)c1)C[NH+](C)C ZINC000291768178 386212020 /nfs/dbraw/zinc/21/20/20/386212020.db2.gz SMXRLSIZZJUZRU-LLVKDONJSA-N 2 1 222.332 1.680 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000414709263 386221555 /nfs/dbraw/zinc/22/15/55/386221555.db2.gz QRBMEXNPCCYKED-AVGNSLFASA-N 2 1 228.380 1.595 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000347033110 386223711 /nfs/dbraw/zinc/22/37/11/386223711.db2.gz FHUSNBFBQBVVHG-RYUDHWBXSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000347033110 386223714 /nfs/dbraw/zinc/22/37/14/386223714.db2.gz FHUSNBFBQBVVHG-RYUDHWBXSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@](C)([NH2+]CCC[NH3+])c1nccs1 ZINC000414710241 386226572 /nfs/dbraw/zinc/22/65/72/386226572.db2.gz PTUWLPPKMDOFSX-JTQLQIEISA-N 2 1 213.350 1.707 20 0 BDADMP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)no1 ZINC000414711403 386227118 /nfs/dbraw/zinc/22/71/18/386227118.db2.gz TXIUTFMCFIACMO-CMPLNLGQSA-N 2 1 237.347 1.803 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000414712059 386228126 /nfs/dbraw/zinc/22/81/26/386228126.db2.gz SGDHCMDKGNSDGM-FRRDWIJNSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000414712059 386228128 /nfs/dbraw/zinc/22/81/28/386228128.db2.gz SGDHCMDKGNSDGM-FRRDWIJNSA-N 2 1 228.380 1.453 20 0 BDADMP CCC1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CCOCC1 ZINC000347112650 386231656 /nfs/dbraw/zinc/23/16/56/386231656.db2.gz RFYSPIMRVSRLMI-ZDUSSCGKSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415001968 386238709 /nfs/dbraw/zinc/23/87/09/386238709.db2.gz DAXREGGQXVGSPR-VXGBXAGGSA-N 2 1 244.342 1.698 20 0 BDADMP COc1ccccc1/C=C/C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347094428 386247826 /nfs/dbraw/zinc/24/78/26/386247826.db2.gz HHYYMVHFVUWPEK-DIECRNLCSA-N 2 1 246.354 1.989 20 0 BDADMP CCSCC[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000414698533 386199604 /nfs/dbraw/zinc/19/96/04/386199604.db2.gz CYBUCAFRKPHBQE-JTQLQIEISA-N 2 1 204.383 1.799 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885771 386287235 /nfs/dbraw/zinc/28/72/35/386287235.db2.gz OMXNPAQXFVMKGP-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414900776 386287824 /nfs/dbraw/zinc/28/78/24/386287824.db2.gz IZKJNTYSRLDFSO-ZDUSSCGKSA-N 2 1 236.363 1.208 20 0 BDADMP C[NH+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000264958184 386289765 /nfs/dbraw/zinc/28/97/65/386289765.db2.gz MUWKQUCODUKNGF-JTQLQIEISA-N 2 1 245.330 1.346 20 0 BDADMP c1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000647988141 386294748 /nfs/dbraw/zinc/29/47/48/386294748.db2.gz UKMPTQBEBNZWTQ-GFCCVEGCSA-N 2 1 231.343 1.656 20 0 BDADMP c1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000647988141 386294752 /nfs/dbraw/zinc/29/47/52/386294752.db2.gz UKMPTQBEBNZWTQ-GFCCVEGCSA-N 2 1 231.343 1.656 20 0 BDADMP CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414733640 386295671 /nfs/dbraw/zinc/29/56/71/386295671.db2.gz JUYJYXRDJFQVOH-QWHCGFSZSA-N 2 1 227.396 1.421 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](CC[NH3+])C1 ZINC000414733640 386295678 /nfs/dbraw/zinc/29/56/78/386295678.db2.gz JUYJYXRDJFQVOH-QWHCGFSZSA-N 2 1 227.396 1.421 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCC(C)(C)O ZINC000347295577 386298172 /nfs/dbraw/zinc/29/81/72/386298172.db2.gz BUUPVLNCXNDDJF-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCC(C)(C)O ZINC000347295577 386298173 /nfs/dbraw/zinc/29/81/73/386298173.db2.gz BUUPVLNCXNDDJF-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCC(C)(C)O ZINC000347295577 386298176 /nfs/dbraw/zinc/29/81/76/386298176.db2.gz BUUPVLNCXNDDJF-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000414733955 386298778 /nfs/dbraw/zinc/29/87/78/386298778.db2.gz FJQZGHOELFOTIR-MELADBBJSA-N 2 1 241.423 1.774 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414736995 386304195 /nfs/dbraw/zinc/30/41/95/386304195.db2.gz ICWVVJNBWRWYQD-MCIONIFRSA-N 2 1 240.391 1.731 20 0 BDADMP COC1CC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000347304597 386307423 /nfs/dbraw/zinc/30/74/23/386307423.db2.gz DJOUNMDALBRJRU-IYXRBSQSSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000091996158 386319916 /nfs/dbraw/zinc/31/99/16/386319916.db2.gz YOQVYSIBRKWZDV-NEPJUHHUSA-N 2 1 249.358 1.655 20 0 BDADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000647884434 386263180 /nfs/dbraw/zinc/26/31/80/386263180.db2.gz PQXVNODSLGJZMR-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CCOc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414900078 386268781 /nfs/dbraw/zinc/26/87/81/386268781.db2.gz VNGJLTKSQRHYST-AWEZNQCLSA-N 2 1 234.343 1.912 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCOC2)C1 ZINC000336652931 386269844 /nfs/dbraw/zinc/26/98/44/386269844.db2.gz XFNFLRZJLQSUBP-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCOC2)C1 ZINC000336652931 386269848 /nfs/dbraw/zinc/26/98/48/386269848.db2.gz XFNFLRZJLQSUBP-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000336652931 386269852 /nfs/dbraw/zinc/26/98/52/386269852.db2.gz XFNFLRZJLQSUBP-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 ZINC000336652931 386269856 /nfs/dbraw/zinc/26/98/56/386269856.db2.gz XFNFLRZJLQSUBP-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000081066852 386279215 /nfs/dbraw/zinc/27/92/15/386279215.db2.gz XKMZXXWIVQBTLI-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336682276 386340347 /nfs/dbraw/zinc/34/03/47/386340347.db2.gz JIZAJPNDZDJXSE-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@H](C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000336682276 386340356 /nfs/dbraw/zinc/34/03/56/386340356.db2.gz JIZAJPNDZDJXSE-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@H](C)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000336682276 386340363 /nfs/dbraw/zinc/34/03/63/386340363.db2.gz JIZAJPNDZDJXSE-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(O)CCC3)CC[C@@H]21 ZINC000335277172 386341732 /nfs/dbraw/zinc/34/17/32/386341732.db2.gz DCHLUXBCKKIRRF-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(O)CCC3)CC[C@@H]21 ZINC000335277172 386341736 /nfs/dbraw/zinc/34/17/36/386341736.db2.gz DCHLUXBCKKIRRF-OLZOCXBDSA-N 2 1 238.375 1.318 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CCCO)CC1 ZINC000414746632 386347101 /nfs/dbraw/zinc/34/71/01/386347101.db2.gz SNSVICWDPOLZRH-AWEZNQCLSA-N 2 1 242.407 1.844 20 0 BDADMP CC[N@@H+](CCc1nccs1)C[C@@H]1CC[NH2+]C1 ZINC000647989651 386361494 /nfs/dbraw/zinc/36/14/94/386361494.db2.gz SCMSUEIVGSGZAQ-LLVKDONJSA-N 2 1 239.388 1.617 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCCCCO ZINC000414750367 386371347 /nfs/dbraw/zinc/37/13/47/386371347.db2.gz XSYOBEMXBRTZON-LBPRGKRZSA-N 2 1 216.369 1.454 20 0 BDADMP CCc1ncc(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000414906191 386371566 /nfs/dbraw/zinc/37/15/66/386371566.db2.gz PABBUHHONITFPM-SNVBAGLBSA-N 2 1 239.388 1.937 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)C1 ZINC000347383632 386376644 /nfs/dbraw/zinc/37/66/44/386376644.db2.gz YMWFZWBWTIOUBQ-UONOGXRCSA-N 3 1 241.423 1.648 20 0 BDADMP CCN1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)C1 ZINC000347383632 386376648 /nfs/dbraw/zinc/37/66/48/386376648.db2.gz YMWFZWBWTIOUBQ-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nn1C ZINC000414742515 386326949 /nfs/dbraw/zinc/32/69/49/386326949.db2.gz UIDFYLNHQMSOMO-LBPRGKRZSA-N 2 1 236.363 1.289 20 0 BDADMP COc1cccc2c1CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000647989053 386332886 /nfs/dbraw/zinc/33/28/86/386332886.db2.gz CCDKAWFHCKEQHK-GFCCVEGCSA-N 2 1 246.354 1.663 20 0 BDADMP COc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000647989053 386332890 /nfs/dbraw/zinc/33/28/90/386332890.db2.gz CCDKAWFHCKEQHK-GFCCVEGCSA-N 2 1 246.354 1.663 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCO)C(C)C ZINC000227011844 386447003 /nfs/dbraw/zinc/44/70/03/386447003.db2.gz XVAOBLPZZVFSQY-LBPRGKRZSA-N 2 1 225.336 1.188 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCOC2)CC1 ZINC000336722373 386447036 /nfs/dbraw/zinc/44/70/36/386447036.db2.gz ZZIWDSHOVKELDW-CYBMUJFWSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647992457 386448172 /nfs/dbraw/zinc/44/81/72/386448172.db2.gz BCWSBJIILFVCGY-UHFFFAOYSA-N 2 1 227.396 1.308 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCCF)CC[N@H+]1C ZINC000308475502 386389133 /nfs/dbraw/zinc/38/91/33/386389133.db2.gz DLVXOFQHSJFKII-GHMZBOCLSA-N 2 1 202.317 1.808 20 0 BDADMP CCOC1CC([N@@H+](C)CCCn2ccnc2)C1 ZINC000347453821 386409344 /nfs/dbraw/zinc/40/93/44/386409344.db2.gz MNOLZQAIEFNJQR-UHFFFAOYSA-N 2 1 237.347 1.773 20 0 BDADMP Cc1ccc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000339410446 386416078 /nfs/dbraw/zinc/41/60/78/386416078.db2.gz TZYKRIJFPBRNPF-GASCZTMLSA-N 2 1 245.370 1.474 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911135 386451848 /nfs/dbraw/zinc/45/18/48/386451848.db2.gz WHWOBVHZPGISBL-JHJVBQTASA-N 3 1 225.380 1.249 20 0 BDADMP CCCC[N@@H+](C)CC1CCN(C[C@H](C)[NH3+])CC1 ZINC000442664633 386420672 /nfs/dbraw/zinc/42/06/72/386420672.db2.gz MUIMLSHWNUMGIM-ZDUSSCGKSA-N 2 1 241.423 1.778 20 0 BDADMP CCCC[N@H+](C)CC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442664633 386420678 /nfs/dbraw/zinc/42/06/78/386420678.db2.gz MUIMLSHWNUMGIM-ZDUSSCGKSA-N 3 1 241.423 1.778 20 0 BDADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442664633 386420680 /nfs/dbraw/zinc/42/06/80/386420680.db2.gz MUIMLSHWNUMGIM-ZDUSSCGKSA-N 3 1 241.423 1.778 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414762002 386421653 /nfs/dbraw/zinc/42/16/53/386421653.db2.gz VEZXIJJCVRCSAZ-UTUOFQBUSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]1CCCC[C@@H]1C[N@H+](CC[NH3+])CCO ZINC000414911974 386466336 /nfs/dbraw/zinc/46/63/36/386466336.db2.gz JNNBGVCSKXSBPB-NWDGAFQWSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@H]1CCCC[C@@H]1C[N@@H+](CC[NH3+])CCO ZINC000414911974 386466339 /nfs/dbraw/zinc/46/63/39/386466339.db2.gz JNNBGVCSKXSBPB-NWDGAFQWSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453380752 386495656 /nfs/dbraw/zinc/49/56/56/386495656.db2.gz RFFNKVPHQKLESH-XDQVBPFNSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780739 386497801 /nfs/dbraw/zinc/49/78/01/386497801.db2.gz LXEYZDBBQKNPKK-XJFOESAGSA-N 2 1 222.376 1.964 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)[C@@H](C)C[NH3+])c1C ZINC000135296104 386499984 /nfs/dbraw/zinc/49/99/84/386499984.db2.gz MUGHCDYXLDHRPA-JTQLQIEISA-N 2 1 237.347 1.486 20 0 BDADMP Cc1ncncc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000519602153 386507120 /nfs/dbraw/zinc/50/71/20/386507120.db2.gz BQJGEIUEDCXKPV-YPMHNXCESA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000519602153 386507128 /nfs/dbraw/zinc/50/71/28/386507128.db2.gz BQJGEIUEDCXKPV-YPMHNXCESA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000519602153 386507134 /nfs/dbraw/zinc/50/71/34/386507134.db2.gz BQJGEIUEDCXKPV-YPMHNXCESA-N 2 1 248.374 1.777 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000519602153 386507139 /nfs/dbraw/zinc/50/71/39/386507139.db2.gz BQJGEIUEDCXKPV-YPMHNXCESA-N 2 1 248.374 1.777 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022251 386512362 /nfs/dbraw/zinc/51/23/62/386512362.db2.gz ISWJFGSPXMTCHM-IHRRRGAJSA-N 2 1 241.423 1.715 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000340371809 386515681 /nfs/dbraw/zinc/51/56/81/386515681.db2.gz QDYOJEIWTKMTRF-STQMWFEESA-N 2 1 236.363 1.346 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C)c1 ZINC000415034945 386521293 /nfs/dbraw/zinc/52/12/93/386521293.db2.gz IMYXAUFTKDUZIV-HNNXBMFYSA-N 2 1 248.370 1.772 20 0 BDADMP Cc1cccc(C)c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415033333 386521614 /nfs/dbraw/zinc/52/16/14/386521614.db2.gz GYJCUKUGLYUHHO-CQSZACIVSA-N 2 1 248.370 1.772 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccccc1N(C)C ZINC000414787272 386523213 /nfs/dbraw/zinc/52/32/13/386523213.db2.gz CCUHWZFQMGUTCG-CYBMUJFWSA-N 2 1 235.375 1.826 20 0 BDADMP Cc1cc(C)cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415036830 386523281 /nfs/dbraw/zinc/52/32/81/386523281.db2.gz KGVKFFDRZVEQDJ-HNNXBMFYSA-N 2 1 248.370 1.772 20 0 BDADMP CC[N@@H+](CCn1ccnc1)C[C@@H](C)OC ZINC000291230772 386526153 /nfs/dbraw/zinc/52/61/53/386526153.db2.gz MIAHYYFKFQCJMN-LLVKDONJSA-N 2 1 211.309 1.240 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000414921184 386582637 /nfs/dbraw/zinc/58/26/37/386582637.db2.gz DGGLXDULBXYVFW-GMTAPVOTSA-N 2 1 214.378 1.327 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000453404236 386589357 /nfs/dbraw/zinc/58/93/57/386589357.db2.gz PJJTXSQWQCWIGB-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414799975 386594730 /nfs/dbraw/zinc/59/47/30/386594730.db2.gz KKSNVLIYXOSRMM-ZOBORPQBSA-N 3 1 239.407 1.624 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCSC1 ZINC000414922751 386596010 /nfs/dbraw/zinc/59/60/10/386596010.db2.gz GLPNKFNKIBMSLE-KXUCPTDWSA-N 2 1 200.351 1.080 20 0 BDADMP C[N@@H+](Cc1cc2ccccc2o1)C[C@H](O)C[NH3+] ZINC000415055455 386537658 /nfs/dbraw/zinc/53/76/58/386537658.db2.gz NBFDACIGMVSTIX-LLVKDONJSA-N 2 1 234.299 1.184 20 0 BDADMP C[N@H+](Cc1cc2ccccc2o1)C[C@H](O)C[NH3+] ZINC000415055455 386537666 /nfs/dbraw/zinc/53/76/66/386537666.db2.gz NBFDACIGMVSTIX-LLVKDONJSA-N 2 1 234.299 1.184 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000415056026 386537903 /nfs/dbraw/zinc/53/79/03/386537903.db2.gz NXLTUORIIWONQF-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000415056026 386537908 /nfs/dbraw/zinc/53/79/08/386537908.db2.gz NXLTUORIIWONQF-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000519711325 386542293 /nfs/dbraw/zinc/54/22/93/386542293.db2.gz OJTFAOGBIZWHSX-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415064565 386543500 /nfs/dbraw/zinc/54/35/00/386543500.db2.gz KZRIDLSGNUSPAC-YPMHNXCESA-N 2 1 236.363 1.379 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H](C)C1 ZINC000417360156 386543951 /nfs/dbraw/zinc/54/39/51/386543951.db2.gz XDAAUNDTSVWJGL-ZDEQEGDKSA-N 2 1 226.364 1.220 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCSC1)C1CCCC1 ZINC000415064576 386544577 /nfs/dbraw/zinc/54/45/77/386544577.db2.gz LBEOQXCUDUYGLU-ZYHUDNBSSA-N 2 1 228.405 1.847 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000063223657 386546800 /nfs/dbraw/zinc/54/68/00/386546800.db2.gz GUABTRQUMUCCHV-ZDUSSCGKSA-N 2 1 219.332 1.295 20 0 BDADMP CC[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415067770 386548187 /nfs/dbraw/zinc/54/81/87/386548187.db2.gz LMKOASYGEAHEMI-JSGCOSHPSA-N 2 1 236.359 1.432 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC1CC[NH2+]CC1)C1CCCC1 ZINC000415064993 386548844 /nfs/dbraw/zinc/54/88/44/386548844.db2.gz LXKKWEJYYOIKEX-ZDUSSCGKSA-N 3 1 225.380 1.093 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975107 386550613 /nfs/dbraw/zinc/55/06/13/386550613.db2.gz LNMMAFMAXZAUEE-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP CC[NH+](CC)CCN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336780473 386551914 /nfs/dbraw/zinc/55/19/14/386551914.db2.gz RKQDHIZCNXUNFI-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414793229 386563015 /nfs/dbraw/zinc/56/30/15/386563015.db2.gz JZBZGPWIRJNZJD-GFCCVEGCSA-N 2 1 246.358 1.646 20 0 BDADMP CC(C)([NH3+])C[NH2+]CCOc1ccc(F)cc1F ZINC000415076064 386571499 /nfs/dbraw/zinc/57/14/99/386571499.db2.gz CFNDCKDSCICGOP-UHFFFAOYSA-N 2 1 244.285 1.671 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC=C(C)C)CC1 ZINC000188449786 386572362 /nfs/dbraw/zinc/57/23/62/386572362.db2.gz RVYSCCYRUGVHQP-UHFFFAOYSA-N 2 1 226.364 1.653 20 0 BDADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C2CCOCC2)cc1 ZINC000335496803 386620100 /nfs/dbraw/zinc/62/01/00/386620100.db2.gz OKFQFQCOQVNKCV-LSDHHAIUSA-N 2 1 246.354 1.511 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000414810352 386629519 /nfs/dbraw/zinc/62/95/19/386629519.db2.gz VGPYSMTYPZGKIO-AVGNSLFASA-N 2 1 225.380 1.093 20 0 BDADMP Cc1cc(C)n2c(C[NH2+]CC(C)(C)[NH3+])cnc2n1 ZINC000414810554 386630949 /nfs/dbraw/zinc/63/09/49/386630949.db2.gz XSMKPBZTKSDSOZ-UHFFFAOYSA-N 2 1 247.346 1.173 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCSC1 ZINC000414812032 386638884 /nfs/dbraw/zinc/63/88/84/386638884.db2.gz KFPRVBZAUJXCSN-QWRGUYRKSA-N 2 1 216.394 1.989 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)COCC ZINC000414816339 386645798 /nfs/dbraw/zinc/64/57/98/386645798.db2.gz PMJXYLPSGDOHAW-GHMZBOCLSA-N 2 1 202.342 1.519 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1F ZINC000414925665 386651039 /nfs/dbraw/zinc/65/10/39/386651039.db2.gz IYFHXFVVECQTHX-VHSXEESVSA-N 2 1 210.296 1.694 20 0 BDADMP c1ccc(N2CC[C@@H](C[NH2+][C@H]3CC[NH2+]C3)C2)cc1 ZINC000415082479 386599985 /nfs/dbraw/zinc/59/99/85/386599985.db2.gz LVLLWFPZUDDECQ-KBPBESRZSA-N 2 1 245.370 1.464 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+]C[C@H]([NH3+])C(C)C)cc12 ZINC000414805939 386606580 /nfs/dbraw/zinc/60/65/80/386606580.db2.gz YYSKHUNTZABBLU-LBPRGKRZSA-N 2 1 247.346 1.339 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414805707 386606667 /nfs/dbraw/zinc/60/66/67/386606667.db2.gz MKLXDWBAKVTFQP-VXGBXAGGSA-N 2 1 214.353 1.374 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414805252 386612012 /nfs/dbraw/zinc/61/20/12/386612012.db2.gz PKWCJLHZTCMKLO-ZDUSSCGKSA-N 2 1 248.326 1.300 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]CC[C@@H]1CCOC1 ZINC000414806307 386615172 /nfs/dbraw/zinc/61/51/72/386615172.db2.gz BGXVLSDYTKWQBD-VXGBXAGGSA-N 2 1 214.353 1.520 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]CC[C@H]1CCOC1 ZINC000414806303 386615860 /nfs/dbraw/zinc/61/58/60/386615860.db2.gz BGXVLSDYTKWQBD-NWDGAFQWSA-N 2 1 214.353 1.520 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCNc2ccccc21 ZINC000335468250 386683126 /nfs/dbraw/zinc/68/31/26/386683126.db2.gz OFQHDJRFIFIODT-MFKMUULPSA-N 2 1 219.332 1.870 20 0 BDADMP C[C@H](C[NH3+])N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414926990 386685629 /nfs/dbraw/zinc/68/56/29/386685629.db2.gz KODUQBAEAAICHC-UMVBOHGHSA-N 2 1 247.386 1.759 20 0 BDADMP CCn1ccnc1CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000335532657 386693739 /nfs/dbraw/zinc/69/37/39/386693739.db2.gz YQOSLQWNUFKDCY-QWHCGFSZSA-N 2 1 248.374 1.429 20 0 BDADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cnn(C)c1 ZINC000268807297 386698328 /nfs/dbraw/zinc/69/83/28/386698328.db2.gz LEKOXXBRZZEDEP-CYBMUJFWSA-N 2 1 247.346 1.666 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000520604818 386703184 /nfs/dbraw/zinc/70/31/84/386703184.db2.gz YVXCUWWQPXFQCO-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP CC[C@H](COC)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830347 386707499 /nfs/dbraw/zinc/70/74/99/386707499.db2.gz AYFJCNCDVDTRLG-CHWSQXEVSA-N 2 1 228.380 1.909 20 0 BDADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)CCOCC[NH3+])C1(C)C ZINC000357080468 386708475 /nfs/dbraw/zinc/70/84/75/386708475.db2.gz MIWHJIDWNDBMTM-YPMHNXCESA-N 2 1 244.379 1.097 20 0 BDADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCOCC[NH3+] ZINC000357069956 386712553 /nfs/dbraw/zinc/71/25/53/386712553.db2.gz IDUIBVMIEAKXKU-HIFRSBDPSA-N 2 1 248.370 1.840 20 0 BDADMP C1CC1[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC1 ZINC000325061698 386713611 /nfs/dbraw/zinc/71/36/11/386713611.db2.gz SPWHTCFCVQRXDH-QWHCGFSZSA-N 2 1 208.349 1.907 20 0 BDADMP C[NH2+]CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414832001 386718286 /nfs/dbraw/zinc/71/82/86/386718286.db2.gz QNEACCHZDQEMGV-HIFRSBDPSA-N 2 1 247.386 1.316 20 0 BDADMP C[NH2+]CC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414835567 386726855 /nfs/dbraw/zinc/72/68/55/386726855.db2.gz VDPWBGCXZIOYFZ-LLVKDONJSA-N 2 1 214.353 1.248 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335543115 386728099 /nfs/dbraw/zinc/72/80/99/386728099.db2.gz JJZWFOCITFNHKX-NSHDSACASA-N 2 1 248.374 1.682 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335543115 386728107 /nfs/dbraw/zinc/72/81/07/386728107.db2.gz JJZWFOCITFNHKX-NSHDSACASA-N 2 1 248.374 1.682 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335543115 386728113 /nfs/dbraw/zinc/72/81/13/386728113.db2.gz JJZWFOCITFNHKX-NSHDSACASA-N 2 1 248.374 1.682 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC1CCOCC1)C1CCCCC1 ZINC000414835166 386729151 /nfs/dbraw/zinc/72/91/51/386729151.db2.gz HFAMFODHTKIGHZ-CQSZACIVSA-N 2 1 240.391 1.910 20 0 BDADMP C[C@@]1(C[N@@H+](CCCCO)C2CC2)CC[NH2+]C1 ZINC000340701608 386746976 /nfs/dbraw/zinc/74/69/76/386746976.db2.gz YQUDXOXKPIVDBI-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000414931097 386758498 /nfs/dbraw/zinc/75/84/98/386758498.db2.gz QSAYXGUNVKUDRT-VXGBXAGGSA-N 2 1 236.359 1.953 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414931222 386760823 /nfs/dbraw/zinc/76/08/23/386760823.db2.gz QYKIMCNZAAYVDW-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP C[NH+](C)CCSC[C@@H]1CC[N@@H+](C)C1 ZINC000191174149 386770410 /nfs/dbraw/zinc/77/04/10/386770410.db2.gz MZCAZRGIZDKWHM-SNVBAGLBSA-N 2 1 202.367 1.233 20 0 BDADMP CCC[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269276481 386770853 /nfs/dbraw/zinc/77/08/53/386770853.db2.gz XJSHIKTXIUSNSR-JTQLQIEISA-N 2 1 236.319 1.214 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414844663 386782436 /nfs/dbraw/zinc/78/24/36/386782436.db2.gz DYSRFSPUCPSOEJ-LLVKDONJSA-N 2 1 222.336 1.197 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000396601779 386785848 /nfs/dbraw/zinc/78/58/48/386785848.db2.gz NIASZBCYGJDHRV-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336743830 386786725 /nfs/dbraw/zinc/78/67/25/386786725.db2.gz YNLOJEBZVCKMAO-NOOOWODRSA-N 2 1 228.405 1.953 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336743830 386786731 /nfs/dbraw/zinc/78/67/31/386786731.db2.gz YNLOJEBZVCKMAO-NOOOWODRSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000396601202 386786983 /nfs/dbraw/zinc/78/69/83/386786983.db2.gz NIASZBCYGJDHRV-SDDRHHMPSA-N 2 1 212.337 1.143 20 0 BDADMP COc1ccccc1/C=C\C[NH2+][C@@H](C)C[NH3+] ZINC000414934424 386799150 /nfs/dbraw/zinc/79/91/50/386799150.db2.gz BMSVPICVQWYTSL-XOIDGJRKSA-N 2 1 220.316 1.645 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414935311 386806838 /nfs/dbraw/zinc/80/68/38/386806838.db2.gz VJDWLSRPKYMKNP-SECBINFHSA-N 2 1 244.285 1.767 20 0 BDADMP Cc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000414935864 386824368 /nfs/dbraw/zinc/82/43/68/386824368.db2.gz UTIKIPYWKOLSDX-DOMZBBRYSA-N 2 1 247.386 1.910 20 0 BDADMP CC(C)n1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000336672591 386827326 /nfs/dbraw/zinc/82/73/26/386827326.db2.gz BFYCVQSMWKXCQP-GFCCVEGCSA-N 2 1 238.379 1.751 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(F)ccc1F ZINC000414847228 386829928 /nfs/dbraw/zinc/82/99/28/386829928.db2.gz VSOQVYSEWBZSGO-SECBINFHSA-N 2 1 228.286 1.910 20 0 BDADMP CC1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000037878148 168164859 /nfs/dbraw/zinc/16/48/59/168164859.db2.gz XILMTBPAEUVWCW-MCIGGMRASA-N 2 1 214.353 1.077 20 0 BDADMP CCCn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414937137 386843140 /nfs/dbraw/zinc/84/31/40/386843140.db2.gz CIDMZVKZDSAYEW-DGCLKSJQSA-N 2 1 236.363 1.381 20 0 BDADMP Cc1cn[nH]c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334840988 386887027 /nfs/dbraw/zinc/88/70/27/386887027.db2.gz FQYKHFLZASLMEC-CYBMUJFWSA-N 2 1 248.374 1.540 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000414941026 386889525 /nfs/dbraw/zinc/88/95/25/386889525.db2.gz YDGYEQMLLRSCQB-WOPDTQHZSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358227325 386914955 /nfs/dbraw/zinc/91/49/55/386914955.db2.gz DQYBAEXSVVCBNS-GXTWGEPZSA-N 2 1 234.343 1.404 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358227325 386914962 /nfs/dbraw/zinc/91/49/62/386914962.db2.gz DQYBAEXSVVCBNS-GXTWGEPZSA-N 2 1 234.343 1.404 20 0 BDADMP COC[C@]1(C[NH2+][C@@H]2CCCSC2)CCC[NH2+]1 ZINC000414942046 386897683 /nfs/dbraw/zinc/89/76/83/386897683.db2.gz JNMHMOGLXRPLCO-VXGBXAGGSA-N 2 1 244.404 1.240 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000358152423 386901207 /nfs/dbraw/zinc/90/12/07/386901207.db2.gz CAHMBXOWKLCWSO-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000358152423 386901213 /nfs/dbraw/zinc/90/12/13/386901213.db2.gz CAHMBXOWKLCWSO-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1cc(C[NH2+][C@@H](C)C[NH3+])cc2cccnc12 ZINC000414944064 386903512 /nfs/dbraw/zinc/90/35/12/386903512.db2.gz NBRILNUNCUORAL-NSHDSACASA-N 2 1 229.327 1.980 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000334858786 386911016 /nfs/dbraw/zinc/91/10/16/386911016.db2.gz VFPUMQBOKHLPJZ-GXFFZTMASA-N 2 1 219.332 1.478 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CC[NH2+]1 ZINC000334866419 386924070 /nfs/dbraw/zinc/92/40/70/386924070.db2.gz VZAIQOFAFPUSFA-KOLCDFICSA-N 2 1 210.346 1.978 20 0 BDADMP C(C1CC1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334867934 386926786 /nfs/dbraw/zinc/92/67/86/386926786.db2.gz GCUOVKSPYUMVSQ-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000161710647 386927721 /nfs/dbraw/zinc/92/77/21/386927721.db2.gz WIRHZSCSJUMNCP-WDEREUQCSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647966057 386942516 /nfs/dbraw/zinc/94/25/16/386942516.db2.gz FOAJWWMMFKWKRV-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647966057 386942522 /nfs/dbraw/zinc/94/25/22/386942522.db2.gz FOAJWWMMFKWKRV-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@@H](N)CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647966057 386942524 /nfs/dbraw/zinc/94/25/24/386942524.db2.gz FOAJWWMMFKWKRV-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@@H](N)CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647966057 386942529 /nfs/dbraw/zinc/94/25/29/386942529.db2.gz FOAJWWMMFKWKRV-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000162185775 386943425 /nfs/dbraw/zinc/94/34/25/386943425.db2.gz HAZAJAFZTPCXKB-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924050 386969174 /nfs/dbraw/zinc/96/91/74/386969174.db2.gz JLFKQPOYKRXAPA-ICIURTGMSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](C[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352924050 386969184 /nfs/dbraw/zinc/96/91/84/386969184.db2.gz JLFKQPOYKRXAPA-ICIURTGMSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](C[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352924050 386969188 /nfs/dbraw/zinc/96/91/88/386969188.db2.gz JLFKQPOYKRXAPA-ICIURTGMSA-N 2 1 238.375 1.580 20 0 BDADMP CO[C@@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921891 386969684 /nfs/dbraw/zinc/96/96/84/386969684.db2.gz LZXZBFIUXMAMSE-ACJTYDJDSA-N 2 1 226.364 1.578 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000162200556 386975941 /nfs/dbraw/zinc/97/59/41/386975941.db2.gz KMENJHUBIJXLIX-IUCAKERBSA-N 2 1 225.723 1.909 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000358665191 386996346 /nfs/dbraw/zinc/99/63/46/386996346.db2.gz VQMQEUUWUVYRCI-MGPQQGTHSA-N 2 1 242.407 1.713 20 0 BDADMP CCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369357922 387040757 /nfs/dbraw/zinc/04/07/57/387040757.db2.gz IUQKOMLHCLYNRI-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000333771245 387054039 /nfs/dbraw/zinc/05/40/39/387054039.db2.gz CASJQRKGSUMHDH-TVQRCGJNSA-N 2 1 237.347 1.769 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000334970286 387055062 /nfs/dbraw/zinc/05/50/62/387055062.db2.gz UGYMIWJZXYHQQT-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000228029656 387060774 /nfs/dbraw/zinc/06/07/74/387060774.db2.gz UKEFBGYLBQOZJU-WODVXLOZSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCOCC23CC3)CC[NH2+]1 ZINC000334882508 387025329 /nfs/dbraw/zinc/02/53/29/387025329.db2.gz NCAWYJSZACMHER-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000333287927 387025644 /nfs/dbraw/zinc/02/56/44/387025644.db2.gz NUIWEEYFLHGONB-JHJVBQTASA-N 2 1 248.374 1.731 20 0 BDADMP CCCC[N@@H+](CCO)CCC1CC[NH2+]CC1 ZINC000359224942 387070386 /nfs/dbraw/zinc/07/03/86/387070386.db2.gz UJBOHGCIFJNMPL-UHFFFAOYSA-N 2 1 228.380 1.471 20 0 BDADMP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400558847 387071041 /nfs/dbraw/zinc/07/10/41/387071041.db2.gz ZWQHPWPHWUEQSR-QEJZJMRPSA-N 2 1 248.370 1.320 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCCCN1 ZINC000333883489 387071228 /nfs/dbraw/zinc/07/12/28/387071228.db2.gz WRMJQEVCFCZWLT-RNJOBUHISA-N 2 1 225.380 1.234 20 0 BDADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000031994510 387072039 /nfs/dbraw/zinc/07/20/39/387072039.db2.gz LSADYYWDYCWNGX-CYBMUJFWSA-N 2 1 217.316 1.267 20 0 BDADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000031994510 387072043 /nfs/dbraw/zinc/07/20/43/387072043.db2.gz LSADYYWDYCWNGX-CYBMUJFWSA-N 2 1 217.316 1.267 20 0 BDADMP Cc1cnn(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334991272 387080564 /nfs/dbraw/zinc/08/05/64/387080564.db2.gz CNSALAWXERZEFS-CQSZACIVSA-N 2 1 248.374 1.267 20 0 BDADMP Cc1cnn(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334991272 387080569 /nfs/dbraw/zinc/08/05/69/387080569.db2.gz CNSALAWXERZEFS-CQSZACIVSA-N 2 1 248.374 1.267 20 0 BDADMP FC(F)COCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188769505 387080813 /nfs/dbraw/zinc/08/08/13/387080813.db2.gz ZKVVTZIVFIKGFA-GHMZBOCLSA-N 2 1 248.317 1.485 20 0 BDADMP Cc1nccn1CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000228337572 387083052 /nfs/dbraw/zinc/08/30/52/387083052.db2.gz QBKNZEFZMHJDCV-YPMHNXCESA-N 2 1 236.363 1.121 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cccc(N)c2)[C@H](C[NH3+])C1 ZINC000334997186 387087624 /nfs/dbraw/zinc/08/76/24/387087624.db2.gz AXOUTROQFXAFPY-FZMZJTMJSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(N)c2)[C@H](C[NH3+])C1 ZINC000334997186 387087627 /nfs/dbraw/zinc/08/76/27/387087627.db2.gz AXOUTROQFXAFPY-FZMZJTMJSA-N 2 1 233.359 1.828 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000335008954 387102604 /nfs/dbraw/zinc/10/26/04/387102604.db2.gz FKCJYXLMGBBTFM-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCF)C[C@H]21 ZINC000228546804 387103182 /nfs/dbraw/zinc/10/31/82/387103182.db2.gz TULZYEMYDRUIAB-GMTAPVOTSA-N 2 1 200.301 1.405 20 0 BDADMP CCC[NH2+]CCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423309928 387145802 /nfs/dbraw/zinc/14/58/02/387145802.db2.gz MPHOIDWJNFUNLY-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423315608 387156378 /nfs/dbraw/zinc/15/63/78/387156378.db2.gz AAHITLSFRWYXAJ-NXEZZACHSA-N 2 1 228.336 1.045 20 0 BDADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423315617 387157335 /nfs/dbraw/zinc/15/73/35/387157335.db2.gz ABGWSNOSCURIOE-GRYCIOLGSA-N 2 1 228.380 1.907 20 0 BDADMP COC[C@H]([NH2+][C@H](C)C[NH3+])C1CCCC1 ZINC000423318220 387160142 /nfs/dbraw/zinc/16/01/42/387160142.db2.gz DBLLGQUZEWEGLX-KOLCDFICSA-N 2 1 200.326 1.128 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423322065 387164564 /nfs/dbraw/zinc/16/45/64/387164564.db2.gz ILNAFWKYGVYRBV-OUAUKWLOSA-N 2 1 214.353 1.515 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C12CCCC2 ZINC000423327534 387170504 /nfs/dbraw/zinc/17/05/04/387170504.db2.gz NJLTZGNLRMHOSQ-WOPDTQHZSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C1CCC(C(F)F)CC1 ZINC000423336950 387185973 /nfs/dbraw/zinc/18/59/73/387185973.db2.gz UVDDZHVAIRMZOB-AFPNSQJFSA-N 2 1 206.280 1.747 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000229604962 387188107 /nfs/dbraw/zinc/18/81/07/387188107.db2.gz YDXQNUHJVIDENL-BDAKNGLRSA-N 2 1 240.269 1.453 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000423301957 387134020 /nfs/dbraw/zinc/13/40/20/387134020.db2.gz UTSJTYFHMVZGTB-UPJWGTAASA-N 2 1 228.380 1.909 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(C)(C)O)CC1 ZINC000370696629 387137150 /nfs/dbraw/zinc/13/71/50/387137150.db2.gz GXVPVKLIQNXRFK-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000423355038 387205172 /nfs/dbraw/zinc/20/51/72/387205172.db2.gz DTYZFRJCJLXCDZ-TUAOUCFPSA-N 2 1 214.353 1.245 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289285924 387208726 /nfs/dbraw/zinc/20/87/26/387208726.db2.gz ALBJAAJREBUIDA-SWLSCSKDSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289285924 387208728 /nfs/dbraw/zinc/20/87/28/387208728.db2.gz ALBJAAJREBUIDA-SWLSCSKDSA-N 2 1 248.370 1.792 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353504587 387218560 /nfs/dbraw/zinc/21/85/60/387218560.db2.gz SBONQPMAPHVPOE-DGAVXFQQSA-N 2 1 240.391 1.610 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423366940 387219335 /nfs/dbraw/zinc/21/93/35/387219335.db2.gz LXTVPSSKSBTJJR-CYDGBPFRSA-N 2 1 225.380 1.363 20 0 BDADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367909 387220296 /nfs/dbraw/zinc/22/02/96/387220296.db2.gz ZCEGDQPHSPPNNG-YPMHNXCESA-N 2 1 248.374 1.529 20 0 BDADMP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423368619 387221696 /nfs/dbraw/zinc/22/16/96/387221696.db2.gz NKVSQRTVQGLTLU-GXFFZTMASA-N 2 1 204.317 1.919 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000423369706 387222900 /nfs/dbraw/zinc/22/29/00/387222900.db2.gz SZNZXRBOPDYZIU-UTUOFQBUSA-N 2 1 208.349 1.907 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000643497202 387228393 /nfs/dbraw/zinc/22/83/93/387228393.db2.gz RGMMZRXFYMNPBM-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)C1(C)C ZINC000300629694 387232669 /nfs/dbraw/zinc/23/26/69/387232669.db2.gz IOGDPYYBAHTWPP-RYUDHWBXSA-N 2 1 237.347 1.595 20 0 BDADMP CC[C@@H](C[NH2+]C1CC[NH+](CCOC)CC1)OC ZINC000353570143 387233509 /nfs/dbraw/zinc/23/35/09/387233509.db2.gz DGONBBPHGYDFTK-ZDUSSCGKSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@H]([NH3+])CN1CCC[N@H+](C2CCCC2)CC1 ZINC000336406213 387235556 /nfs/dbraw/zinc/23/55/56/387235556.db2.gz LDTIYDRPIXYRLI-LBPRGKRZSA-N 2 1 225.380 1.284 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336410452 387239113 /nfs/dbraw/zinc/23/91/13/387239113.db2.gz DEUODDCTJJCSQY-GWCFXTLKSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000423427125 387251966 /nfs/dbraw/zinc/25/19/66/387251966.db2.gz IEIXUYWTQBLZTN-FRRDWIJNSA-N 2 1 227.396 1.624 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N(C)CCC[NH3+] ZINC000571898999 387196024 /nfs/dbraw/zinc/19/60/24/387196024.db2.gz YLFYJBQSIKJNNL-UHFFFAOYSA-N 2 1 237.303 1.043 20 0 BDADMP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)[C@H]1CCCCN1 ZINC000423465978 387312687 /nfs/dbraw/zinc/31/26/87/387312687.db2.gz AGTITRPOTRULHB-MGPQQGTHSA-N 2 1 239.407 1.639 20 0 BDADMP C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423429025 387254533 /nfs/dbraw/zinc/25/45/33/387254533.db2.gz JVRVXTYQRSEFEN-DOERSZECSA-N 2 1 237.391 1.105 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423375410 387256230 /nfs/dbraw/zinc/25/62/30/387256230.db2.gz KLBRVTFKLAYQQX-IJLUTSLNSA-N 3 1 213.369 1.234 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423380365 387262824 /nfs/dbraw/zinc/26/28/24/387262824.db2.gz YNBRQERSZDUVFZ-QPUJVOFHSA-N 2 1 208.280 1.750 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423381202 387263684 /nfs/dbraw/zinc/26/36/84/387263684.db2.gz HUWISPHXPYPVFV-UTUOFQBUSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000423468918 387317548 /nfs/dbraw/zinc/31/75/48/387317548.db2.gz JYMYRUJHCYLQBA-AAVRWANBSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CCN1C ZINC000423468918 387317550 /nfs/dbraw/zinc/31/75/50/387317550.db2.gz JYMYRUJHCYLQBA-AAVRWANBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCCC[C@H]1N ZINC000423431998 387284639 /nfs/dbraw/zinc/28/46/39/387284639.db2.gz MECGEOXRCYJBGP-UPJWGTAASA-N 2 1 227.396 1.754 20 0 BDADMP Cc1ncc(C[NH2+]CCCn2cc[nH+]c2C)n1C ZINC000516982108 387293135 /nfs/dbraw/zinc/29/31/35/387293135.db2.gz UTSHRNYQXYDTDQ-UHFFFAOYSA-N 2 1 247.346 1.413 20 0 BDADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423446734 387295916 /nfs/dbraw/zinc/29/59/16/387295916.db2.gz YYROGVZBUWIWCQ-BSLXNSKLSA-N 2 1 246.354 1.954 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423447545 387296522 /nfs/dbraw/zinc/29/65/22/387296522.db2.gz ZVCULGLTHOOHBB-SLEUVZQESA-N 2 1 247.386 1.589 20 0 BDADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000353924379 387299051 /nfs/dbraw/zinc/29/90/51/387299051.db2.gz BWUAVFRLTQPOED-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)O1 ZINC000648560414 387300261 /nfs/dbraw/zinc/30/02/61/387300261.db2.gz HBHYXGVUGXSBDY-LPWJVIDDSA-N 2 1 249.358 1.601 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000423459911 387308401 /nfs/dbraw/zinc/30/84/01/387308401.db2.gz AHSYPFYPJULYFM-CRWXNKLISA-N 2 1 239.407 1.624 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000353997169 387308577 /nfs/dbraw/zinc/30/85/77/387308577.db2.gz QMPAYROBLSJJCW-NWDGAFQWSA-N 2 1 237.347 1.598 20 0 BDADMP C[C@@H](c1ccncn1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423527513 387354901 /nfs/dbraw/zinc/35/49/01/387354901.db2.gz RPPOGEMCCASLRW-NTZNESFSSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H](c1ccncn1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423527513 387354905 /nfs/dbraw/zinc/35/49/05/387354905.db2.gz RPPOGEMCCASLRW-NTZNESFSSA-N 2 1 234.347 1.454 20 0 BDADMP CC[N@@H+]1C[C@H](NCCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000423523331 387356493 /nfs/dbraw/zinc/35/64/93/387356493.db2.gz IFZIYQWFGMNSIW-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](CCC[NH3+])[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423531614 387359134 /nfs/dbraw/zinc/35/91/34/387359134.db2.gz YFWZPPMBROHNOF-IJLUTSLNSA-N 3 1 213.369 1.031 20 0 BDADMP C[C@H](CCC[NH3+])[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423531614 387359136 /nfs/dbraw/zinc/35/91/36/387359136.db2.gz YFWZPPMBROHNOF-IJLUTSLNSA-N 2 1 213.369 1.031 20 0 BDADMP C[C@H](CCC[NH3+])[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423531614 387359143 /nfs/dbraw/zinc/35/91/43/387359143.db2.gz YFWZPPMBROHNOF-IJLUTSLNSA-N 2 1 213.369 1.031 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423541994 387365130 /nfs/dbraw/zinc/36/51/30/387365130.db2.gz AKKVTTJCXKYMOC-VXGBXAGGSA-N 2 1 234.347 1.139 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423541991 387365214 /nfs/dbraw/zinc/36/52/14/387365214.db2.gz AKKVTTJCXKYMOC-NEPJUHHUSA-N 2 1 234.347 1.139 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423541993 387365776 /nfs/dbraw/zinc/36/57/76/387365776.db2.gz AKKVTTJCXKYMOC-RYUDHWBXSA-N 2 1 234.347 1.139 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)C[C@H]1C)C(C)C ZINC000360916684 387366132 /nfs/dbraw/zinc/36/61/32/387366132.db2.gz AOGZLUFJDPEYAS-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000360916684 387366138 /nfs/dbraw/zinc/36/61/38/387366138.db2.gz AOGZLUFJDPEYAS-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000360916684 387366139 /nfs/dbraw/zinc/36/61/39/387366139.db2.gz AOGZLUFJDPEYAS-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423543929 387369082 /nfs/dbraw/zinc/36/90/82/387369082.db2.gz IDKJNXQLLCLMLM-DGAVXFQQSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000515384205 387373471 /nfs/dbraw/zinc/37/34/71/387373471.db2.gz DHFQLKQCEMYUOP-KXNHARMFSA-N 2 1 214.328 1.855 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423566311 387376766 /nfs/dbraw/zinc/37/67/66/387376766.db2.gz UBUYHDUNTBABQD-BZPMIXESSA-N 2 1 237.391 1.201 20 0 BDADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423571881 387379860 /nfs/dbraw/zinc/37/98/60/387379860.db2.gz XXYDUGRIOSJHKG-CYBMUJFWSA-N 2 1 248.374 1.529 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@H]1CCCO1 ZINC000423573783 387380472 /nfs/dbraw/zinc/38/04/72/387380472.db2.gz ZOEABOLXWRYEHV-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462767 387322482 /nfs/dbraw/zinc/32/24/82/387322482.db2.gz LBHJWBZPUBIVIB-DMDPSCGWSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000643462767 387322488 /nfs/dbraw/zinc/32/24/88/387322488.db2.gz LBHJWBZPUBIVIB-DMDPSCGWSA-N 2 1 225.380 1.186 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643462716 387326325 /nfs/dbraw/zinc/32/63/25/387326325.db2.gz IAQDIYAVHSJLFY-MBOZISHXSA-N 2 1 249.402 1.343 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000321957017 387333845 /nfs/dbraw/zinc/33/38/45/387333845.db2.gz XXFGLYWWJITQGQ-UMSGYPCISA-N 2 1 210.365 1.962 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccncc1 ZINC000423493747 387338509 /nfs/dbraw/zinc/33/85/09/387338509.db2.gz QZXIOXBEHNVMAB-UONOGXRCSA-N 2 1 249.358 1.501 20 0 BDADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423498741 387341242 /nfs/dbraw/zinc/34/12/42/387341242.db2.gz BYAOFMLVPVPVJY-RYUDHWBXSA-N 2 1 227.396 1.304 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000423506816 387344966 /nfs/dbraw/zinc/34/49/66/387344966.db2.gz PMSZOCGDTYHYOM-FPMFFAJLSA-N 2 1 239.407 1.434 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423517186 387349676 /nfs/dbraw/zinc/34/96/76/387349676.db2.gz OBWZCNPWXBLTSR-KGLIPLIRSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@H]1CC1(C)C ZINC000423516155 387349794 /nfs/dbraw/zinc/34/97/94/387349794.db2.gz NMQQOBFFKCSQJD-XQQFMLRXSA-N 2 1 239.407 1.304 20 0 BDADMP C(C1CC1)[N@@H+]1C[C@H]2[C@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000361303306 387435997 /nfs/dbraw/zinc/43/59/97/387435997.db2.gz HSSLLSURFGAWNQ-IHRRRGAJSA-N 2 1 220.360 1.813 20 0 BDADMP C(C1CC1)[NH+]1C[C@H]2[C@@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000361303306 387436003 /nfs/dbraw/zinc/43/60/03/387436003.db2.gz HSSLLSURFGAWNQ-IHRRRGAJSA-N 2 1 220.360 1.813 20 0 BDADMP C(C1CC1)[NH+]1C[C@H]2[C@@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000361303306 387436006 /nfs/dbraw/zinc/43/60/06/387436006.db2.gz HSSLLSURFGAWNQ-IHRRRGAJSA-N 2 1 220.360 1.813 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643505535 387451875 /nfs/dbraw/zinc/45/18/75/387451875.db2.gz YTYIZMHTQOKXBF-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)OC ZINC000361572277 387498364 /nfs/dbraw/zinc/49/83/64/387498364.db2.gz CQFMPVWHRJDCCV-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC(C)(C)C2)CC[N@@H+]1C ZINC000396838376 387498481 /nfs/dbraw/zinc/49/84/81/387498481.db2.gz BBZRYYQENVTYJV-UTUOFQBUSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COC(C)(C)C2)CC[N@H+]1C ZINC000396838376 387498486 /nfs/dbraw/zinc/49/84/86/387498486.db2.gz BBZRYYQENVTYJV-UTUOFQBUSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000643475317 387509005 /nfs/dbraw/zinc/50/90/05/387509005.db2.gz FWZTYKXXSMZOLL-XQHKEYJVSA-N 2 1 226.364 1.532 20 0 BDADMP Cc1[nH+]ccn1-c1ccc(CNC(N)=[NH2+])cc1F ZINC000303263545 387524725 /nfs/dbraw/zinc/52/47/25/387524725.db2.gz QZSDZTBWAWGMGL-UHFFFAOYSA-N 2 1 247.277 1.303 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+]CC[NH2+]C1CC1 ZINC000643505824 387463102 /nfs/dbraw/zinc/46/31/02/387463102.db2.gz AOEAHSSRQQGUSA-LLVKDONJSA-N 2 1 226.364 1.533 20 0 BDADMP Cc1ccc(C[N@@H+](CCO)CCn2ccnc2)o1 ZINC000361508177 387477192 /nfs/dbraw/zinc/47/71/92/387477192.db2.gz JLOPRUGBAFOMER-UHFFFAOYSA-N 2 1 249.314 1.279 20 0 BDADMP Cc1ccc(CN(CCO)CCn2ccnc2)o1 ZINC000361508177 387477196 /nfs/dbraw/zinc/47/71/96/387477196.db2.gz JLOPRUGBAFOMER-UHFFFAOYSA-N 2 1 249.314 1.279 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000516173683 387477852 /nfs/dbraw/zinc/47/78/52/387477852.db2.gz ZEVZHRBUNXLVMN-LLVKDONJSA-N 2 1 224.352 1.459 20 0 BDADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000643507828 387479870 /nfs/dbraw/zinc/47/98/70/387479870.db2.gz RAICIDYMSRRUNS-MNOVXSKESA-N 2 1 212.337 1.143 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508360 387489376 /nfs/dbraw/zinc/48/93/76/387489376.db2.gz ULTZLBQLXLBIFX-JTQLQIEISA-N 2 1 224.352 1.757 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000643512635 387597478 /nfs/dbraw/zinc/59/74/78/387597478.db2.gz MFTOPCKZKCNWQY-ZWNOBZJWSA-N 2 1 222.332 1.928 20 0 BDADMP CC(C)CCC[N@H+]1CCO[C@H](CN(C)C)C1 ZINC000375978011 387598782 /nfs/dbraw/zinc/59/87/82/387598782.db2.gz VRSVSVUSRHOUMO-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cn1 ZINC000422560106 387600216 /nfs/dbraw/zinc/60/02/16/387600216.db2.gz FQIGFLPUEXNZQH-UHTWSYAYSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cn1 ZINC000422560106 387600222 /nfs/dbraw/zinc/60/02/22/387600222.db2.gz FQIGFLPUEXNZQH-UHTWSYAYSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422558180 387600882 /nfs/dbraw/zinc/60/08/82/387600882.db2.gz AIDVJPLDYUIYDZ-FOGDFJRCSA-N 2 1 236.363 1.523 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422558187 387600960 /nfs/dbraw/zinc/60/09/60/387600960.db2.gz AIDVJPLDYUIYDZ-NHCYSSNCSA-N 2 1 236.363 1.523 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000122841016 387606968 /nfs/dbraw/zinc/60/69/68/387606968.db2.gz WVMXBZHBRBYCNX-XQQFMLRXSA-N 2 1 228.380 1.325 20 0 BDADMP CCCCOCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422625018 387609344 /nfs/dbraw/zinc/60/93/44/387609344.db2.gz AJQVSODSWRBKCE-UHFFFAOYSA-N 2 1 226.364 1.631 20 0 BDADMP CC(C)CCOCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422635296 387610491 /nfs/dbraw/zinc/61/04/91/387610491.db2.gz LGZXQIPXMUUBMQ-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422637598 387611124 /nfs/dbraw/zinc/61/11/24/387611124.db2.gz OZXCOXLNWNRUJM-XJFOESAGSA-N 3 1 239.407 1.291 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000422702761 387618880 /nfs/dbraw/zinc/61/88/80/387618880.db2.gz LMTGLPPQSXWPNA-UPJWGTAASA-N 2 1 226.364 1.676 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422704766 387620365 /nfs/dbraw/zinc/62/03/65/387620365.db2.gz APYNFQMFAAZUIE-ZJUUUORDSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1c[nH+]ccc1N ZINC000422705503 387621090 /nfs/dbraw/zinc/62/10/90/387621090.db2.gz RQIOKCHIBVWRJH-UTLUCORTSA-N 2 1 205.305 1.801 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1c[nH+]ccc1N ZINC000422705502 387621123 /nfs/dbraw/zinc/62/11/23/387621123.db2.gz RQIOKCHIBVWRJH-LPEHRKFASA-N 2 1 205.305 1.801 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422708587 387622218 /nfs/dbraw/zinc/62/22/18/387622218.db2.gz JHRFNGJUFZOAID-WHOHXGKFSA-N 2 1 214.353 1.124 20 0 BDADMP CC[N@@H+](C)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422709474 387622495 /nfs/dbraw/zinc/62/24/95/387622495.db2.gz DLRSFTABHZKXTG-JTQLQIEISA-N 2 1 222.336 1.096 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422708072 387622527 /nfs/dbraw/zinc/62/25/27/387622527.db2.gz BIVXBBUDJGFXOQ-NEPJUHHUSA-N 2 1 213.369 1.188 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422708932 387624014 /nfs/dbraw/zinc/62/40/14/387624014.db2.gz JVXFOPUSMXIDOH-OLZOCXBDSA-N 2 1 227.396 1.435 20 0 BDADMP CCCC[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000042317861 387626956 /nfs/dbraw/zinc/62/69/56/387626956.db2.gz KGCNJWPDLRXNNN-UHFFFAOYSA-N 2 1 225.380 1.156 20 0 BDADMP C[C@@H](CCC1CCCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000305126372 387559438 /nfs/dbraw/zinc/55/94/38/387559438.db2.gz LIDSTHSLWRAZKP-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ccc(CC[NH2+]C2CC[NH+](C)CC2)nc1 ZINC000399801656 387572892 /nfs/dbraw/zinc/57/28/92/387572892.db2.gz WCIJUGOBTOVAMY-UHFFFAOYSA-N 2 1 233.359 1.616 20 0 BDADMP C[N@@H+](CCCF)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762930 387579642 /nfs/dbraw/zinc/57/96/42/387579642.db2.gz LEXACBRYLDDKGM-FOSCPWQOSA-N 2 1 214.328 1.903 20 0 BDADMP C[NH+](CCCF)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762930 387579646 /nfs/dbraw/zinc/57/96/46/387579646.db2.gz LEXACBRYLDDKGM-FOSCPWQOSA-N 2 1 214.328 1.903 20 0 BDADMP C[NH+](CCCF)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762930 387579647 /nfs/dbraw/zinc/57/96/47/387579647.db2.gz LEXACBRYLDDKGM-FOSCPWQOSA-N 2 1 214.328 1.903 20 0 BDADMP CCN(CC)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422744857 387694531 /nfs/dbraw/zinc/69/45/31/387694531.db2.gz KYCGGKNFWUHXJS-WDEREUQCSA-N 2 1 201.358 1.044 20 0 BDADMP CCOCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422724650 387635276 /nfs/dbraw/zinc/63/52/76/387635276.db2.gz WJGLCWOEBPPIJP-NEPJUHHUSA-N 2 1 214.353 1.391 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422727586 387635463 /nfs/dbraw/zinc/63/54/63/387635463.db2.gz HNAFLEQPNKEFQT-KBPBESRZSA-N 3 1 241.423 1.968 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422727586 387635468 /nfs/dbraw/zinc/63/54/68/387635468.db2.gz HNAFLEQPNKEFQT-KBPBESRZSA-N 3 1 241.423 1.968 20 0 BDADMP Cc1c[nH+]ccc1NCc1c[nH+]c2n1CCCC2 ZINC000376489153 387641973 /nfs/dbraw/zinc/64/19/73/387641973.db2.gz UKMCGNYHHUQSCF-UHFFFAOYSA-N 2 1 242.326 1.957 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000125158986 387646611 /nfs/dbraw/zinc/64/66/11/387646611.db2.gz GCZIDCWGIBDUCF-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422792817 387695236 /nfs/dbraw/zinc/69/52/36/387695236.db2.gz ZMXSERPYVLNFRL-CRWXNKLISA-N 2 1 239.407 1.589 20 0 BDADMP C[C@H]([NH3+])CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000430775667 387649202 /nfs/dbraw/zinc/64/92/02/387649202.db2.gz HLWKVSJORBCAGC-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]([NH3+])CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000430775668 387649259 /nfs/dbraw/zinc/64/92/59/387649259.db2.gz HLWKVSJORBCAGC-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000422747239 387651982 /nfs/dbraw/zinc/65/19/82/387651982.db2.gz YDXHFJXXLXOMHQ-WZRBSPASSA-N 2 1 225.380 1.057 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000430932831 387662869 /nfs/dbraw/zinc/66/28/69/387662869.db2.gz GJHATRXMEPHOBV-UHFFFAOYSA-N 2 1 223.320 1.414 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000422775387 387672165 /nfs/dbraw/zinc/67/21/65/387672165.db2.gz BLOWNJDNNYYJGL-KGLIPLIRSA-N 3 1 241.423 1.824 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C(C)C ZINC000126189381 387675782 /nfs/dbraw/zinc/67/57/82/387675782.db2.gz APKUWKBEDXOJDC-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C(C)C ZINC000126189381 387675787 /nfs/dbraw/zinc/67/57/87/387675787.db2.gz APKUWKBEDXOJDC-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cnn(C)c1 ZINC000044495139 387682430 /nfs/dbraw/zinc/68/24/30/387682430.db2.gz JVFVRAHRBIGCRX-LBPRGKRZSA-N 2 1 236.363 1.557 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422786117 387685460 /nfs/dbraw/zinc/68/54/60/387685460.db2.gz SBCMXWLZTMSTBV-VOAKCMCISA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422791235 387692878 /nfs/dbraw/zinc/69/28/78/387692878.db2.gz YIDVWTFUPXJQLK-RWMBFGLXSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422791237 387693557 /nfs/dbraw/zinc/69/35/57/387693557.db2.gz YIDVWTFUPXJQLK-UPJWGTAASA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H](CN[C@@H](C)C1C[NH2+]C1)[N@H+]1CCCC[C@@H]1C ZINC000422860303 387743570 /nfs/dbraw/zinc/74/35/70/387743570.db2.gz LIWCHEHGOKFIAX-XQQFMLRXSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC(C)CC1 ZINC000422867008 387745826 /nfs/dbraw/zinc/74/58/26/387745826.db2.gz RNQDATOUGXOURR-OLZOCXBDSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422865254 387747081 /nfs/dbraw/zinc/74/70/81/387747081.db2.gz XLJYWPBHQOPLDY-XQQFMLRXSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871379 387748730 /nfs/dbraw/zinc/74/87/30/387748730.db2.gz ZYKKWJFGZYPKMM-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000422873145 387751958 /nfs/dbraw/zinc/75/19/58/387751958.db2.gz KFPWOXUBBHAWJX-YRGRVCCFSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422873145 387751961 /nfs/dbraw/zinc/75/19/61/387751961.db2.gz KFPWOXUBBHAWJX-YRGRVCCFSA-N 2 1 237.391 1.201 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000422876969 387754303 /nfs/dbraw/zinc/75/43/03/387754303.db2.gz GZWOECFOXCBDKJ-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP CCN(CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000422876969 387754307 /nfs/dbraw/zinc/75/43/07/387754307.db2.gz GZWOECFOXCBDKJ-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP C1C[C@H]2CC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)C[C@@H]1[NH2+]2 ZINC000422879738 387754508 /nfs/dbraw/zinc/75/45/08/387754508.db2.gz KYBZLSBMZUZCPZ-AWQNUYMJSA-N 2 1 249.402 1.486 20 0 BDADMP Cc1csc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000422805774 387704945 /nfs/dbraw/zinc/70/49/45/387704945.db2.gz HKVPVQKIELYZIJ-JGVFFNPUSA-N 2 1 213.350 1.667 20 0 BDADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422805834 387705870 /nfs/dbraw/zinc/70/58/70/387705870.db2.gz JSAXSVAEGGCZSQ-HUUCEWRRSA-N 3 1 247.386 1.718 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000422809353 387709391 /nfs/dbraw/zinc/70/93/91/387709391.db2.gz MBRVFQZBBVRSQQ-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCCCCC1 ZINC000422812419 387710472 /nfs/dbraw/zinc/71/04/72/387710472.db2.gz WFLDMTJGCBCUQA-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422812426 387711597 /nfs/dbraw/zinc/71/15/97/387711597.db2.gz QHVCLRQGIHDYDP-ZFWWWQNUSA-N 2 1 247.386 1.853 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422817128 387715336 /nfs/dbraw/zinc/71/53/36/387715336.db2.gz GUJCDSSWYHIEMC-OLZOCXBDSA-N 3 1 241.423 1.822 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422819803 387717993 /nfs/dbraw/zinc/71/79/93/387717993.db2.gz IWHPLGUXRJRVGD-UHFFFAOYSA-N 3 1 241.423 1.825 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422819803 387717997 /nfs/dbraw/zinc/71/79/97/387717997.db2.gz IWHPLGUXRJRVGD-UHFFFAOYSA-N 3 1 241.423 1.825 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000422822444 387718273 /nfs/dbraw/zinc/71/82/73/387718273.db2.gz KAQVNFHSLCHDCP-QJPTWQEYSA-N 2 1 245.436 1.139 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000422822445 387718391 /nfs/dbraw/zinc/71/83/91/387718391.db2.gz KAQVNFHSLCHDCP-SDDRHHMPSA-N 2 1 245.436 1.139 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOC1CCCC1 ZINC000422823919 387719955 /nfs/dbraw/zinc/71/99/55/387719955.db2.gz FKXMLVKAISEMEJ-TZMCWYRMSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccnc1 ZINC000422823699 387720789 /nfs/dbraw/zinc/72/07/89/387720789.db2.gz DWZSOCJKCWHBNB-WCQYABFASA-N 2 1 219.332 1.212 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000367549894 387725397 /nfs/dbraw/zinc/72/53/97/387725397.db2.gz HPITZKCKVRGVRT-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367549894 387725405 /nfs/dbraw/zinc/72/54/05/387725405.db2.gz HPITZKCKVRGVRT-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367549894 387725407 /nfs/dbraw/zinc/72/54/07/387725407.db2.gz HPITZKCKVRGVRT-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452071834 387726097 /nfs/dbraw/zinc/72/60/97/387726097.db2.gz SIQVKLFOPMJSFY-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422834708 387727022 /nfs/dbraw/zinc/72/70/22/387727022.db2.gz XHDDVVVYFBMCMZ-STQMWFEESA-N 2 1 247.342 1.016 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000422879385 387755629 /nfs/dbraw/zinc/75/56/29/387755629.db2.gz VFEKERFUYKHPSW-MXWKQRLJSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877133 387755675 /nfs/dbraw/zinc/75/56/75/387755675.db2.gz RBJJWJFLIZZDDN-RFHZTLPTSA-N 2 1 237.391 1.057 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000422835062 387729187 /nfs/dbraw/zinc/72/91/87/387729187.db2.gz IDNFIFLIHBOZFS-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128055764 387734358 /nfs/dbraw/zinc/73/43/58/387734358.db2.gz BKWOOHWOWJEPAX-QWHCGFSZSA-N 2 1 240.391 1.754 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1(C)C ZINC000422852636 387738931 /nfs/dbraw/zinc/73/89/31/387738931.db2.gz QUHJSSYRRIVLQI-FIQHERPVSA-N 2 1 226.364 1.388 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422880132 387756084 /nfs/dbraw/zinc/75/60/84/387756084.db2.gz NIBGESIXTAVSLI-RYUDHWBXSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000422858249 387741089 /nfs/dbraw/zinc/74/10/89/387741089.db2.gz IEVBZJONANWBRZ-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CCCC[C@@H]1C ZINC000422856805 387742183 /nfs/dbraw/zinc/74/21/83/387742183.db2.gz GPHXAMFQOMEBPD-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCCC[C@@H]1C ZINC000422856805 387742186 /nfs/dbraw/zinc/74/21/86/387742186.db2.gz GPHXAMFQOMEBPD-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2F ZINC000643528249 387767090 /nfs/dbraw/zinc/76/70/90/387767090.db2.gz GBPUKWBLYYDYPC-PELKAZGASA-N 2 1 208.280 1.750 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909511 387768453 /nfs/dbraw/zinc/76/84/53/387768453.db2.gz OEZNWYRHNOBTCS-MJBXVCDLSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000643528218 387768568 /nfs/dbraw/zinc/76/85/68/387768568.db2.gz FPEXICQXYGSMJY-NXEZZACHSA-N 2 1 247.342 1.569 20 0 BDADMP CN(C)c1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422911028 387768959 /nfs/dbraw/zinc/76/89/59/387768959.db2.gz JWODGWJZEGKAKG-OLZOCXBDSA-N 2 1 233.359 1.722 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422916165 387773519 /nfs/dbraw/zinc/77/35/19/387773519.db2.gz CNRMXAMKIBDUBV-SRVKXCTJSA-N 2 1 228.380 1.371 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422916085 387773649 /nfs/dbraw/zinc/77/36/49/387773649.db2.gz ZXOBAOISZZZYAU-CHWSQXEVSA-N 2 1 236.363 1.653 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000422921037 387775268 /nfs/dbraw/zinc/77/52/68/387775268.db2.gz ONBYDEKPIJKHOZ-KXUCPTDWSA-N 2 1 200.351 1.222 20 0 BDADMP CS[C@@H](C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422935577 387782785 /nfs/dbraw/zinc/78/27/85/387782785.db2.gz KZXBFHIIYSRAGN-HBNTYKKESA-N 2 1 216.394 1.858 20 0 BDADMP CC[C@@H](CCO)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422982172 387793093 /nfs/dbraw/zinc/79/30/93/387793093.db2.gz VTUVGPMSFAVZHG-ZJUUUORDSA-N 2 1 223.320 1.306 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422983241 387793753 /nfs/dbraw/zinc/79/37/53/387793753.db2.gz ZCLMYLRFDMORRB-BXKDBHETSA-N 2 1 223.320 1.306 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422983233 387794030 /nfs/dbraw/zinc/79/40/30/387794030.db2.gz ZBPMNZRBDOMQHV-JHJVBQTASA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422987172 387795452 /nfs/dbraw/zinc/79/54/52/387795452.db2.gz FOJQDXKBRMOKHM-TUAOUCFPSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422985633 387795899 /nfs/dbraw/zinc/79/58/99/387795899.db2.gz FOJQDXKBRMOKHM-WOPDTQHZSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422985632 387796479 /nfs/dbraw/zinc/79/64/79/387796479.db2.gz FOJQDXKBRMOKHM-SRVKXCTJSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422987173 387798369 /nfs/dbraw/zinc/79/83/69/387798369.db2.gz FOJQDXKBRMOKHM-UTUOFQBUSA-N 2 1 214.353 1.124 20 0 BDADMP C[NH2+]CCCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000309504692 387811154 /nfs/dbraw/zinc/81/11/54/387811154.db2.gz MRQAWOLMBZKYJE-WDEREUQCSA-N 2 1 221.348 1.863 20 0 BDADMP CC(C)[N@H+](C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422880426 387758411 /nfs/dbraw/zinc/75/84/11/387758411.db2.gz OBCGODZNFONGFB-QWRGUYRKSA-N 2 1 201.358 1.042 20 0 BDADMP CC(C)N(C)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422880426 387758414 /nfs/dbraw/zinc/75/84/14/387758414.db2.gz OBCGODZNFONGFB-QWRGUYRKSA-N 2 1 201.358 1.042 20 0 BDADMP C[C@@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880914 387758493 /nfs/dbraw/zinc/75/84/93/387758493.db2.gz XUEMCGTWQYRBRU-HBJVGIJOSA-N 2 1 237.391 1.199 20 0 BDADMP CC(C)Oc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cn1 ZINC000422975030 387823185 /nfs/dbraw/zinc/82/31/85/387823185.db2.gz SAMLTVAQJKNQNS-NSHDSACASA-N 2 1 249.358 1.566 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccncc1 ZINC000423009163 387831662 /nfs/dbraw/zinc/83/16/62/387831662.db2.gz VALQMULABKNIKA-AAEUAGOBSA-N 2 1 219.332 1.212 20 0 BDADMP CCc1noc(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442752676 387835529 /nfs/dbraw/zinc/83/55/29/387835529.db2.gz FGTAVSBSJXBWSL-KOLCDFICSA-N 2 1 237.347 1.715 20 0 BDADMP CC(C)CSCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423014706 387839478 /nfs/dbraw/zinc/83/94/78/387839478.db2.gz PPIHMMAHTKZLEE-NWDGAFQWSA-N 2 1 230.421 1.963 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CCC[NH2+]CC2)CCC[N@@H+]1C ZINC000423025936 387843942 /nfs/dbraw/zinc/84/39/42/387843942.db2.gz AGUUNOARTQFGNU-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CCC[NH2+]CC2)CCC[N@H+]1C ZINC000423025936 387843943 /nfs/dbraw/zinc/84/39/43/387843943.db2.gz AGUUNOARTQFGNU-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CO)CCC2)c2ccccc21 ZINC000423029053 387845666 /nfs/dbraw/zinc/84/56/66/387845666.db2.gz HMVUXENDJOFYAS-UONOGXRCSA-N 2 1 246.354 1.883 20 0 BDADMP CC(C)OCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423034415 387848114 /nfs/dbraw/zinc/84/81/14/387848114.db2.gz PWLFXJUXMHHKDD-OLZOCXBDSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1C[NH2+]C1 ZINC000423040277 387852613 /nfs/dbraw/zinc/85/26/13/387852613.db2.gz SYOPHBJGVJQFHI-GFCCVEGCSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000423042895 387855771 /nfs/dbraw/zinc/85/57/71/387855771.db2.gz MPDLCNNFOHUOAG-AGIUHOORSA-N 2 1 226.364 1.533 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000423044912 387855884 /nfs/dbraw/zinc/85/58/84/387855884.db2.gz CFCRBJLKYDZIIQ-QJPTWQEYSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000423052713 387859154 /nfs/dbraw/zinc/85/91/54/387859154.db2.gz RBNAQJGEJXPAKO-HOTUBEGUSA-N 2 1 238.306 1.975 20 0 BDADMP COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000193657493 387860048 /nfs/dbraw/zinc/86/00/48/387860048.db2.gz XTJGBEZLZFCJFZ-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193657493 387860051 /nfs/dbraw/zinc/86/00/51/387860051.db2.gz XTJGBEZLZFCJFZ-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193657493 387860055 /nfs/dbraw/zinc/86/00/55/387860055.db2.gz XTJGBEZLZFCJFZ-OKILXGFUSA-N 2 1 246.354 1.689 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CCO)c1ccco1 ZINC000423051808 387860656 /nfs/dbraw/zinc/86/06/56/387860656.db2.gz PELCAMDGPNCKRH-SRVKXCTJSA-N 2 1 238.331 1.420 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000423055451 387862294 /nfs/dbraw/zinc/86/22/94/387862294.db2.gz WCZWQZFLVCRKQH-KGLIPLIRSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000423059446 387864635 /nfs/dbraw/zinc/86/46/35/387864635.db2.gz LROBXBFALURHHI-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536424 387867456 /nfs/dbraw/zinc/86/74/56/387867456.db2.gz QSBOSGMPWDYXEK-UPJWGTAASA-N 2 1 237.391 1.378 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000423065133 387868013 /nfs/dbraw/zinc/86/80/13/387868013.db2.gz SWNHBJFJADTLPD-XQHKEYJVSA-N 2 1 226.364 1.125 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](C)OC)[C@@H]1CCC[NH2+]1 ZINC000423062304 387868024 /nfs/dbraw/zinc/86/80/24/387868024.db2.gz SVSLUKHWYDOQCO-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422964320 387814832 /nfs/dbraw/zinc/81/48/32/387814832.db2.gz LISFVMBNAJVMEE-OLZOCXBDSA-N 2 1 227.396 1.304 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423069805 387872713 /nfs/dbraw/zinc/87/27/13/387872713.db2.gz MFLANNUNQYODGV-ZDCRXTMVSA-N 2 1 200.326 1.140 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000422968850 387818667 /nfs/dbraw/zinc/81/86/67/387818667.db2.gz SGQGEYZKPITNMP-BDAKNGLRSA-N 2 1 224.270 1.917 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422968407 387818898 /nfs/dbraw/zinc/81/88/98/387818898.db2.gz WTDUYZNFDNKONJ-ZIAGYGMSSA-N 2 1 241.423 1.694 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422968407 387818901 /nfs/dbraw/zinc/81/89/01/387818901.db2.gz WTDUYZNFDNKONJ-ZIAGYGMSSA-N 3 1 241.423 1.694 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422968407 387818902 /nfs/dbraw/zinc/81/89/02/387818902.db2.gz WTDUYZNFDNKONJ-ZIAGYGMSSA-N 3 1 241.423 1.694 20 0 BDADMP CC(C)SCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423107599 387890934 /nfs/dbraw/zinc/89/09/34/387890934.db2.gz LCFIJIPFBKMLMZ-GHMZBOCLSA-N 2 1 216.394 1.716 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423111944 387896399 /nfs/dbraw/zinc/89/63/99/387896399.db2.gz RIICFFCSUAFTJV-WDEREUQCSA-N 2 1 237.347 1.409 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000423083280 387877708 /nfs/dbraw/zinc/87/77/08/387877708.db2.gz FSPGTWMHTICAGB-YNEHKIRRSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423083280 387877711 /nfs/dbraw/zinc/87/77/11/387877711.db2.gz FSPGTWMHTICAGB-YNEHKIRRSA-N 2 1 241.423 1.822 20 0 BDADMP CCN(CC)[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423083346 387878011 /nfs/dbraw/zinc/87/80/11/387878011.db2.gz FWONTDHRZDFYDF-GRYCIOLGSA-N 2 1 215.385 1.432 20 0 BDADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423081957 387879297 /nfs/dbraw/zinc/87/92/97/387879297.db2.gz CFRRLNAFBNSFNA-WRWGMCAJSA-N 2 1 240.347 1.058 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423085815 387880780 /nfs/dbraw/zinc/88/07/80/387880780.db2.gz LJKMBAHEHDUCPJ-CHWSQXEVSA-N 3 1 229.412 1.824 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423093101 387883747 /nfs/dbraw/zinc/88/37/47/387883747.db2.gz FTZNEKZNZVBJEB-AGIUHOORSA-N 2 1 242.407 1.904 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423123854 387903743 /nfs/dbraw/zinc/90/37/43/387903743.db2.gz NOVPWLIEGXPVNJ-NEPJUHHUSA-N 2 1 227.396 1.304 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423125801 387904744 /nfs/dbraw/zinc/90/47/44/387904744.db2.gz AHWSSLWDBBPMCB-DLOVCJGASA-N 2 1 212.337 1.142 20 0 BDADMP COc1ccncc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423125876 387905956 /nfs/dbraw/zinc/90/59/56/387905956.db2.gz IGYWWYLQCGXZAI-WCQYABFASA-N 2 1 249.358 1.568 20 0 BDADMP N[C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130987 387907027 /nfs/dbraw/zinc/90/70/27/387907027.db2.gz HIZQBVKTZJGBOT-UONOGXRCSA-N 2 1 239.407 1.722 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423129433 387907738 /nfs/dbraw/zinc/90/77/38/387907738.db2.gz XAHBDMJPFGQXQI-RDBSUJKOSA-N 2 1 241.423 1.837 20 0 BDADMP COc1ccncc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423131856 387908901 /nfs/dbraw/zinc/90/89/01/387908901.db2.gz OPXIXMQNAQUNPR-NXEZZACHSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)CC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423135800 387914630 /nfs/dbraw/zinc/91/46/30/387914630.db2.gz ULHAEWJVCDEZGN-UHTWSYAYSA-N 2 1 226.364 1.268 20 0 BDADMP CO[C@@H]([C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000423152603 387931333 /nfs/dbraw/zinc/93/13/33/387931333.db2.gz FVYYRWODYILGLA-WFFHOREQSA-N 2 1 226.364 1.530 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423153912 387932018 /nfs/dbraw/zinc/93/20/18/387932018.db2.gz OCCWJOZTNLDDNG-AXFHLTTASA-N 2 1 224.352 1.679 20 0 BDADMP CCC[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000423146063 387922221 /nfs/dbraw/zinc/92/22/21/387922221.db2.gz NSHFXOUPHCSCBS-AGIUHOORSA-N 2 1 228.380 1.922 20 0 BDADMP CCn1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000423169042 387953844 /nfs/dbraw/zinc/95/38/44/387953844.db2.gz IRJGVGZAHRQMDE-JQWIXIFHSA-N 2 1 222.336 1.120 20 0 BDADMP COCC[C@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423168442 387954113 /nfs/dbraw/zinc/95/41/13/387954113.db2.gz HLPOMEYEHWJUAW-WDEREUQCSA-N 2 1 237.347 1.817 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423158424 387938130 /nfs/dbraw/zinc/93/81/30/387938130.db2.gz WSYPEUIDKOUVIX-WYTNZGFTSA-N 2 1 237.391 1.199 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322125911 387942805 /nfs/dbraw/zinc/94/28/05/387942805.db2.gz DAEGPAWLSMRJPH-HOSYDEDBSA-N 2 1 207.321 1.826 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423161763 387944508 /nfs/dbraw/zinc/94/45/08/387944508.db2.gz JNYMTTYZXZOIHJ-VXGBXAGGSA-N 3 1 227.396 1.576 20 0 BDADMP COc1cccnc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423165776 387948098 /nfs/dbraw/zinc/94/80/98/387948098.db2.gz QHOIBGXOXYUQHE-RYUDHWBXSA-N 2 1 249.358 1.697 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000423171330 387956522 /nfs/dbraw/zinc/95/65/22/387956522.db2.gz ZVABEJWSWUQHHJ-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 ZINC000423177067 387961501 /nfs/dbraw/zinc/96/15/01/387961501.db2.gz DQPRBBSKIOOOBV-CHWSQXEVSA-N 2 1 233.359 1.965 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245630830 387968378 /nfs/dbraw/zinc/96/83/78/387968378.db2.gz QCGBXINCNJPCQU-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245630830 387968382 /nfs/dbraw/zinc/96/83/82/387968382.db2.gz QCGBXINCNJPCQU-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245630830 387968385 /nfs/dbraw/zinc/96/83/85/387968385.db2.gz QCGBXINCNJPCQU-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481075 387970382 /nfs/dbraw/zinc/97/03/82/387970382.db2.gz MFCZPCIRNAYPCS-MNOVXSKESA-N 2 1 246.358 1.789 20 0 BDADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000423187475 387971014 /nfs/dbraw/zinc/97/10/14/387971014.db2.gz PQFCXQRGTYJHHU-GHMZBOCLSA-N 2 1 222.332 1.736 20 0 BDADMP C[C@@H]1CSCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245683575 387971233 /nfs/dbraw/zinc/97/12/33/387971233.db2.gz URJKUOIPASQPNQ-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1CSCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245683575 387971237 /nfs/dbraw/zinc/97/12/37/387971237.db2.gz URJKUOIPASQPNQ-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1CSCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245683575 387971242 /nfs/dbraw/zinc/97/12/42/387971242.db2.gz URJKUOIPASQPNQ-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]1CSCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245683575 387971247 /nfs/dbraw/zinc/97/12/47/387971247.db2.gz URJKUOIPASQPNQ-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP CSc1ccccc1C[C@@H](C)[NH2+]CC[NH3+] ZINC000423188057 387971564 /nfs/dbraw/zinc/97/15/64/387971564.db2.gz POAYASOPZOCIPI-SNVBAGLBSA-N 2 1 224.373 1.888 20 0 BDADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000423186881 387971629 /nfs/dbraw/zinc/97/16/29/387971629.db2.gz PDZILEDJASJSRZ-YDHLFZDLSA-N 2 1 246.354 1.750 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000453085038 387981606 /nfs/dbraw/zinc/98/16/06/387981606.db2.gz GYNTXFDPSIVAIX-NWDGAFQWSA-N 2 1 236.363 1.792 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000453085038 387981608 /nfs/dbraw/zinc/98/16/08/387981608.db2.gz GYNTXFDPSIVAIX-NWDGAFQWSA-N 2 1 236.363 1.792 20 0 BDADMP CCOC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192137 387978009 /nfs/dbraw/zinc/97/80/09/387978009.db2.gz PNQPUFPZAPUQDI-RWMBFGLXSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cn[nH]c1 ZINC000453136134 387994666 /nfs/dbraw/zinc/99/46/66/387994666.db2.gz PMWKLOYMUAHSBX-WCFLWFBJSA-N 2 1 236.363 1.933 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCCC[C@H]1C ZINC000453103383 387984016 /nfs/dbraw/zinc/98/40/16/387984016.db2.gz RPWNVNHGAFWADY-RFGFWPKPSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420405394 387999159 /nfs/dbraw/zinc/99/91/59/387999159.db2.gz MTHYODRXRPYFTF-OCCSQVGLSA-N 3 1 239.407 1.293 20 0 BDADMP COCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407808 387999718 /nfs/dbraw/zinc/99/97/18/387999718.db2.gz VMBOFTCCXKINIX-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424376531 387999759 /nfs/dbraw/zinc/99/97/59/387999759.db2.gz PMQUTBZUICFCLG-SYEHKZFSSA-N 2 1 208.349 1.763 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)[C@@H](C)C1 ZINC000245992394 388001263 /nfs/dbraw/zinc/00/12/63/388001263.db2.gz QXJYHZGGAVSNPG-WUHRBBMRSA-N 2 1 240.391 1.466 20 0 BDADMP C1CCC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423219976 388002004 /nfs/dbraw/zinc/00/20/04/388002004.db2.gz XEDDERFOHLEGNT-QNWHQSFQSA-N 2 1 236.359 1.286 20 0 BDADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000453200971 388007738 /nfs/dbraw/zinc/00/77/38/388007738.db2.gz RRKUJISONNAXOX-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000453200971 388007742 /nfs/dbraw/zinc/00/77/42/388007742.db2.gz RRKUJISONNAXOX-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP CN(C)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000309676165 388009075 /nfs/dbraw/zinc/00/90/75/388009075.db2.gz XUEMCQAIGOJGQS-UHFFFAOYSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccn(C)n1 ZINC000423226226 388009606 /nfs/dbraw/zinc/00/96/06/388009606.db2.gz PVEIXRYPHKBBBD-UWVGGRQHSA-N 2 1 210.325 1.198 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000309671742 388010654 /nfs/dbraw/zinc/01/06/54/388010654.db2.gz WFZZUAOJLDDSHW-CHWSQXEVSA-N 2 1 228.380 1.590 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1CCCCN1 ZINC000423238449 388022189 /nfs/dbraw/zinc/02/21/89/388022189.db2.gz AKEWJBHMQKWAEU-UPJWGTAASA-N 2 1 225.380 1.106 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156771773 388032072 /nfs/dbraw/zinc/03/20/72/388032072.db2.gz SSETXHWDDIPUFR-IJLUTSLNSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156771773 388032075 /nfs/dbraw/zinc/03/20/75/388032075.db2.gz SSETXHWDDIPUFR-IJLUTSLNSA-N 2 1 214.353 1.220 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423250871 388033361 /nfs/dbraw/zinc/03/33/61/388033361.db2.gz UVSFKDIZQGBNQT-WDEREUQCSA-N 2 1 200.326 1.001 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423251316 388033505 /nfs/dbraw/zinc/03/35/05/388033505.db2.gz VXQWKEZSGWYLFX-LBPRGKRZSA-N 2 1 221.348 1.602 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423252545 388033744 /nfs/dbraw/zinc/03/37/44/388033744.db2.gz XXZVTPHTGOFCNE-XQQFMLRXSA-N 2 1 238.375 1.533 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000423253755 388035230 /nfs/dbraw/zinc/03/52/30/388035230.db2.gz ZRLPLRVQBCXGIR-CHWSQXEVSA-N 2 1 240.391 1.923 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000450405331 388035913 /nfs/dbraw/zinc/03/59/13/388035913.db2.gz QFCKBQTZHMXFKH-JTQLQIEISA-N 2 1 232.318 1.915 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423264000 388041515 /nfs/dbraw/zinc/04/15/15/388041515.db2.gz PJYQIRWXMBJKRS-UPJWGTAASA-N 2 1 239.407 1.575 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423266132 388043309 /nfs/dbraw/zinc/04/33/09/388043309.db2.gz CWVURPARESZDEN-QNWHQSFQSA-N 2 1 227.396 1.160 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423266132 388043312 /nfs/dbraw/zinc/04/33/12/388043312.db2.gz CWVURPARESZDEN-QNWHQSFQSA-N 3 1 227.396 1.160 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000423266132 388043317 /nfs/dbraw/zinc/04/33/17/388043317.db2.gz CWVURPARESZDEN-QNWHQSFQSA-N 3 1 227.396 1.160 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423244981 388028244 /nfs/dbraw/zinc/02/82/44/388028244.db2.gz IGTDZHKWGXYCCX-MQYQWHSLSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423244981 388028246 /nfs/dbraw/zinc/02/82/46/388028246.db2.gz IGTDZHKWGXYCCX-MQYQWHSLSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423244983 388028520 /nfs/dbraw/zinc/02/85/20/388028520.db2.gz IGTDZHKWGXYCCX-YIYPIFLZSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423244983 388028525 /nfs/dbraw/zinc/02/85/25/388028525.db2.gz IGTDZHKWGXYCCX-YIYPIFLZSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423246232 388029863 /nfs/dbraw/zinc/02/98/63/388029863.db2.gz NBOIVQVFBRCRKP-TZMCWYRMSA-N 2 1 233.359 1.917 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cn(C)nc1C ZINC000423273665 388052935 /nfs/dbraw/zinc/05/29/35/388052935.db2.gz LHVAFIGKTQWLKT-NXEZZACHSA-N 2 1 224.352 1.235 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H](C[NH3+])C2CC2)C[C@H]1OC ZINC000423274969 388055313 /nfs/dbraw/zinc/05/53/13/388055313.db2.gz LBQQZWPGAZILTR-JHJVBQTASA-N 2 1 240.391 1.907 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423276202 388056895 /nfs/dbraw/zinc/05/68/95/388056895.db2.gz MQNMXAVQRADQJZ-GXFFZTMASA-N 2 1 219.332 1.778 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000423275220 388056966 /nfs/dbraw/zinc/05/69/66/388056966.db2.gz MXMAMTUOJHTFFA-RDBSUJKOSA-N 2 1 239.407 1.496 20 0 BDADMP COCC1CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000423279298 388059772 /nfs/dbraw/zinc/05/97/72/388059772.db2.gz RDYCJPSNMUOWFQ-KGPNIALWSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)OCO2 ZINC000423284543 388066876 /nfs/dbraw/zinc/06/68/76/388066876.db2.gz WVKYWOTYRNNIAS-JOYOIKCWSA-N 2 1 248.326 1.803 20 0 BDADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(O)CC1 ZINC000453390626 388069631 /nfs/dbraw/zinc/06/96/31/388069631.db2.gz GXGZQBBZKSLMTI-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(O)CC1 ZINC000453390626 388069635 /nfs/dbraw/zinc/06/96/35/388069635.db2.gz GXGZQBBZKSLMTI-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1cnn(C)c1 ZINC000423286441 388070642 /nfs/dbraw/zinc/07/06/42/388070642.db2.gz HIIGFGPZZJCRTN-LBPRGKRZSA-N 2 1 238.379 1.978 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423286507 388072119 /nfs/dbraw/zinc/07/21/19/388072119.db2.gz HSDDCLGMABBFFB-NEPJUHHUSA-N 2 1 239.407 1.719 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423286507 388072121 /nfs/dbraw/zinc/07/21/21/388072121.db2.gz HSDDCLGMABBFFB-NEPJUHHUSA-N 2 1 239.407 1.719 20 0 BDADMP CC[C@H](COC)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453416367 388077947 /nfs/dbraw/zinc/07/79/47/388077947.db2.gz XKJRVIGGYGWBML-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@@H]1C ZINC000423296693 388078180 /nfs/dbraw/zinc/07/81/80/388078180.db2.gz HJTOTZPKKOTURJ-GMTAPVOTSA-N 2 1 200.326 1.271 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCOC[C@H]1C ZINC000423296498 388078354 /nfs/dbraw/zinc/07/83/54/388078354.db2.gz HCACCNWPDCZARO-IJLUTSLNSA-N 2 1 214.353 1.519 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000423298225 388080267 /nfs/dbraw/zinc/08/02/67/388080267.db2.gz NRVCNWSCHPCZNY-UTUOFQBUSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282114 388085893 /nfs/dbraw/zinc/08/58/93/388085893.db2.gz USOUBFKDIALJKA-RQJABVFESA-N 2 1 222.376 1.964 20 0 BDADMP CC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160727248 388086090 /nfs/dbraw/zinc/08/60/90/388086090.db2.gz LMBQXJKJYOZTOX-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP CN(C)c1nc(N2CCC[C@@H](CC[NH3+])C2)cc[nH+]1 ZINC000085432229 388088482 /nfs/dbraw/zinc/08/84/82/388088482.db2.gz QAIRJHIJRPJMNJ-NSHDSACASA-N 2 1 249.362 1.108 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000118946269 388100028 /nfs/dbraw/zinc/10/00/28/388100028.db2.gz JBTDPOFJKGJVML-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C(C)C ZINC000423266846 388045225 /nfs/dbraw/zinc/04/52/25/388045225.db2.gz SJQXRXBVOGNIRB-VXGBXAGGSA-N 2 1 216.369 1.620 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423268129 388047079 /nfs/dbraw/zinc/04/70/79/388047079.db2.gz GBSBTFYVQLHLBL-SMDDNHRTSA-N 2 1 236.359 1.813 20 0 BDADMP C[C@H](NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272310 388050840 /nfs/dbraw/zinc/05/08/40/388050840.db2.gz JUOMCJIJPVSXPK-XQQFMLRXSA-N 2 1 225.380 1.106 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000449243831 388161622 /nfs/dbraw/zinc/16/16/22/388161622.db2.gz NRGUQWHBGLUECT-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000449243831 388161625 /nfs/dbraw/zinc/16/16/25/388161625.db2.gz NRGUQWHBGLUECT-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CSC[C@H]1C ZINC000449078309 388139730 /nfs/dbraw/zinc/13/97/30/388139730.db2.gz LVYSGETTXODVEH-NEPJUHHUSA-N 2 1 246.420 1.296 20 0 BDADMP CCCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104384 388143391 /nfs/dbraw/zinc/14/33/91/388143391.db2.gz LQJKQZFAEQQVLA-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@H]1[NH3+] ZINC000261528610 135154523 /nfs/dbraw/zinc/15/45/23/135154523.db2.gz MQXPNUCEMJRQNO-OPRDCNLKSA-N 2 1 200.351 1.019 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CC1(C)C ZINC000489499342 388218826 /nfs/dbraw/zinc/21/88/26/388218826.db2.gz QITGRNYDSCKOJL-NSHDSACASA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CC1(C)C ZINC000489499342 388218827 /nfs/dbraw/zinc/21/88/27/388218827.db2.gz QITGRNYDSCKOJL-NSHDSACASA-N 2 1 207.321 1.922 20 0 BDADMP CCSCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000164791934 388248422 /nfs/dbraw/zinc/24/84/22/388248422.db2.gz BKSDDXDPNYLEPJ-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000451813585 388297678 /nfs/dbraw/zinc/29/76/78/388297678.db2.gz RGAJWKZKVPSARJ-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CC[C@](O)(C(F)F)C1 ZINC000451426025 388272351 /nfs/dbraw/zinc/27/23/51/388272351.db2.gz HTXYRYPECDNROV-CMPLNLGQSA-N 2 1 248.317 1.173 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(C(F)F)C1 ZINC000451426025 388272353 /nfs/dbraw/zinc/27/23/53/388272353.db2.gz HTXYRYPECDNROV-CMPLNLGQSA-N 2 1 248.317 1.173 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(C(F)F)C1 ZINC000451426025 388272354 /nfs/dbraw/zinc/27/23/54/388272354.db2.gz HTXYRYPECDNROV-CMPLNLGQSA-N 2 1 248.317 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451426025 388272356 /nfs/dbraw/zinc/27/23/56/388272356.db2.gz HTXYRYPECDNROV-CMPLNLGQSA-N 2 1 248.317 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451426025 388272357 /nfs/dbraw/zinc/27/23/57/388272357.db2.gz HTXYRYPECDNROV-CMPLNLGQSA-N 2 1 248.317 1.173 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000300376713 388363421 /nfs/dbraw/zinc/36/34/21/388363421.db2.gz JXEBAUYMGZKLKM-WRWGMCAJSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC[N@H+]1C ZINC000163719454 388366451 /nfs/dbraw/zinc/36/64/51/388366451.db2.gz HIAMMBXPBMBMSD-NWDGAFQWSA-N 2 1 228.380 1.874 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000572722683 388370552 /nfs/dbraw/zinc/37/05/52/388370552.db2.gz LIASZEKWVXCSTO-ZDUSSCGKSA-N 2 1 235.331 1.194 20 0 BDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2C[NH2+]C2)C1 ZINC000572749223 388371911 /nfs/dbraw/zinc/37/19/11/388371911.db2.gz KBOTUUDKARUOCN-GXTWGEPZSA-N 2 1 245.370 1.383 20 0 BDADMP OC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310324777 388480903 /nfs/dbraw/zinc/48/09/03/388480903.db2.gz ZXXHTGYRVUYIKA-FZMZJTMJSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@H+]1C ZINC000335771561 388453475 /nfs/dbraw/zinc/45/34/75/388453475.db2.gz HZGWWEOKHZFDLY-GXTWGEPZSA-N 3 1 237.391 1.321 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CC[NH+]1C ZINC000335771561 388453477 /nfs/dbraw/zinc/45/34/77/388453477.db2.gz HZGWWEOKHZFDLY-GXTWGEPZSA-N 3 1 237.391 1.321 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC[NH+]1C ZINC000335771561 388453479 /nfs/dbraw/zinc/45/34/79/388453479.db2.gz HZGWWEOKHZFDLY-GXTWGEPZSA-N 3 1 237.391 1.321 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CCN1C ZINC000335771561 388453480 /nfs/dbraw/zinc/45/34/80/388453480.db2.gz HZGWWEOKHZFDLY-GXTWGEPZSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCN1C ZINC000335771561 388453482 /nfs/dbraw/zinc/45/34/82/388453482.db2.gz HZGWWEOKHZFDLY-GXTWGEPZSA-N 2 1 237.391 1.321 20 0 BDADMP CC(C)C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000307821762 388427672 /nfs/dbraw/zinc/42/76/72/388427672.db2.gz VFEDYDJQRFRIDO-AWEZNQCLSA-N 2 1 239.407 1.260 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H]1C ZINC000322335337 388432050 /nfs/dbraw/zinc/43/20/50/388432050.db2.gz QCAQVOJFKNFEQM-NQBHXWOUSA-N 2 1 208.349 1.882 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393578948 388434595 /nfs/dbraw/zinc/43/45/95/388434595.db2.gz DJADZCGQBBLDGM-RYUDHWBXSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cnn(C)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000352768055 388537889 /nfs/dbraw/zinc/53/78/89/388537889.db2.gz DWPOCRBVXDOVCJ-UHFFFAOYSA-N 2 1 238.379 1.548 20 0 BDADMP Cc1cnn(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000352768055 388537892 /nfs/dbraw/zinc/53/78/92/388537892.db2.gz DWPOCRBVXDOVCJ-UHFFFAOYSA-N 2 1 238.379 1.548 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000261550472 135189349 /nfs/dbraw/zinc/18/93/49/135189349.db2.gz PMELMAMYXSQVGQ-UHFFFAOYSA-N 2 1 210.325 1.135 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000261550472 135189351 /nfs/dbraw/zinc/18/93/51/135189351.db2.gz PMELMAMYXSQVGQ-UHFFFAOYSA-N 2 1 210.325 1.135 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000356337521 388548271 /nfs/dbraw/zinc/54/82/71/388548271.db2.gz QBDDSUPYKHZUFE-RWMBFGLXSA-N 2 1 228.380 1.874 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC)[C@H](C)CO ZINC000339626974 388486322 /nfs/dbraw/zinc/48/63/22/388486322.db2.gz KFDXPKBWRRBGQR-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000340490150 388491572 /nfs/dbraw/zinc/49/15/72/388491572.db2.gz LTZNQJHHCMTYQG-RAIGVLPGSA-N 2 1 226.364 1.484 20 0 BDADMP Cc1ccncc1C[NH2+]CCC[NH+](C)C ZINC000135432284 388495688 /nfs/dbraw/zinc/49/56/88/388495688.db2.gz ITYYKBMPGZVZKN-UHFFFAOYSA-N 2 1 207.321 1.431 20 0 BDADMP c1cnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000341879432 388496763 /nfs/dbraw/zinc/49/67/63/388496763.db2.gz UUGHODMPJPHRIA-JSGCOSHPSA-N 2 1 246.358 1.236 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000379217963 388599700 /nfs/dbraw/zinc/59/97/00/388599700.db2.gz OZFREJGGQSBXTC-HIFRSBDPSA-N 2 1 248.370 1.915 20 0 BDADMP C[C@@H]1C[N@H+](CCn2ccnc2C2CC2)CCO1 ZINC000530128830 388613243 /nfs/dbraw/zinc/61/32/43/388613243.db2.gz DAKRGMNGOKHHII-LLVKDONJSA-N 2 1 235.331 1.481 20 0 BDADMP C[C@@H]1C[N@@H+](CCn2ccnc2C2CC2)CCO1 ZINC000530128830 388613246 /nfs/dbraw/zinc/61/32/46/388613246.db2.gz DAKRGMNGOKHHII-LLVKDONJSA-N 2 1 235.331 1.481 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC1 ZINC000246028907 388614489 /nfs/dbraw/zinc/61/44/89/388614489.db2.gz NIMMBYUPDUNYNV-WYUUTHIRSA-N 2 1 212.337 1.094 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224613549 388667011 /nfs/dbraw/zinc/66/70/11/388667011.db2.gz PGVRWERXTDXRAT-RYUDHWBXSA-N 2 1 228.405 1.800 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](OC)C1 ZINC000191782303 388670783 /nfs/dbraw/zinc/67/07/83/388670783.db2.gz XHFRQCJCOLAUPS-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](OC)C1 ZINC000191782303 388670785 /nfs/dbraw/zinc/67/07/85/388670785.db2.gz XHFRQCJCOLAUPS-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179199 388620381 /nfs/dbraw/zinc/62/03/81/388620381.db2.gz QNKINISSJKIPOB-QWRGUYRKSA-N 2 1 212.337 1.286 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000328344911 388625768 /nfs/dbraw/zinc/62/57/68/388625768.db2.gz LWIRWLIWONEWIF-REWJHTLYSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@H]1C[C@H](NC[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000154518262 388626442 /nfs/dbraw/zinc/62/64/42/388626442.db2.gz AJSCCWPJWGCKSV-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000154518262 388626445 /nfs/dbraw/zinc/62/64/45/388626445.db2.gz AJSCCWPJWGCKSV-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H](NC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000154518262 388626447 /nfs/dbraw/zinc/62/64/47/388626447.db2.gz AJSCCWPJWGCKSV-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CC[N@H+]1C ZINC000154518262 388626453 /nfs/dbraw/zinc/62/64/53/388626453.db2.gz AJSCCWPJWGCKSV-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530209243 388627815 /nfs/dbraw/zinc/62/78/15/388627815.db2.gz INLDJZCHGRYNTQ-NSHDSACASA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@H+]1C ZINC000530222760 388634590 /nfs/dbraw/zinc/63/45/90/388634590.db2.gz RLYCTXTYNUNXGK-AGIUHOORSA-N 2 1 237.391 1.343 20 0 BDADMP CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246479312 388637938 /nfs/dbraw/zinc/63/79/38/388637938.db2.gz HNOYXUSXEGZNQP-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246479312 388637940 /nfs/dbraw/zinc/63/79/40/388637940.db2.gz HNOYXUSXEGZNQP-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246479312 388637943 /nfs/dbraw/zinc/63/79/43/388637943.db2.gz HNOYXUSXEGZNQP-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]1 ZINC000530245087 388639255 /nfs/dbraw/zinc/63/92/55/388639255.db2.gz SSRBUQXHDGVEHA-FRRDWIJNSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000328367365 388641885 /nfs/dbraw/zinc/64/18/85/388641885.db2.gz HMAYRAIJDFCQOE-NSHDSACASA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cscn1 ZINC000124198398 388661418 /nfs/dbraw/zinc/66/14/18/388661418.db2.gz HRVZGNMDGYFDEX-JQWIXIFHSA-N 2 1 239.388 1.615 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250557656 388738054 /nfs/dbraw/zinc/73/80/54/388738054.db2.gz BMWVBTQUBNVMLF-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CCc1nc(N(C)CCC[NH+](C)C)cc(C)[nH+]1 ZINC000553182805 388751874 /nfs/dbraw/zinc/75/18/74/388751874.db2.gz YHDBHRRUDXMRPG-UHFFFAOYSA-N 2 1 236.363 1.735 20 0 BDADMP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248734736 388692420 /nfs/dbraw/zinc/69/24/20/388692420.db2.gz BSCBFNJPFCSRII-JHJVBQTASA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249385214 388719610 /nfs/dbraw/zinc/71/96/10/388719610.db2.gz BIOQTTJBFYCJEW-XQQFMLRXSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000253096405 388803812 /nfs/dbraw/zinc/80/38/12/388803812.db2.gz LSOPESNUDIMQDQ-AGIUHOORSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCn2ccnc2)CC[N@H+]1C ZINC000129503892 388849796 /nfs/dbraw/zinc/84/97/96/388849796.db2.gz VCJYLTAWLZHEQU-STQMWFEESA-N 2 1 236.363 1.346 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC1CCCC1 ZINC000565092963 388913731 /nfs/dbraw/zinc/91/37/31/388913731.db2.gz NOVAIWVRNJRQQV-GFCCVEGCSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000565351346 388938540 /nfs/dbraw/zinc/93/85/40/388938540.db2.gz JYRXRUPYRDAEKG-VWYCJHECSA-N 2 1 248.317 1.688 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268879650 389005858 /nfs/dbraw/zinc/00/58/58/389005858.db2.gz RDECVQUMEZJIMG-GHMZBOCLSA-N 2 1 225.336 1.595 20 0 BDADMP COC[C@H]([NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000268856836 389006024 /nfs/dbraw/zinc/00/60/24/389006024.db2.gz ZJLBAUBUOOGBJA-LBPRGKRZSA-N 2 1 223.320 1.206 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccn1 ZINC000271834797 389026141 /nfs/dbraw/zinc/02/61/41/389026141.db2.gz FOMAMTWBXMAPLD-LBPRGKRZSA-N 2 1 231.343 1.994 20 0 BDADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000400424158 533341782 /nfs/dbraw/zinc/34/17/82/533341782.db2.gz XVIDECCDWRZQPC-JWURUJNWSA-N 2 1 237.391 1.342 20 0 BDADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400481804 533501746 /nfs/dbraw/zinc/50/17/46/533501746.db2.gz FTBIXFRIICFLOK-IUODEOHRSA-N 2 1 248.370 1.968 20 0 BDADMP CCc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)nc(C)[nH+]1 ZINC000094342371 132239131 /nfs/dbraw/zinc/23/91/31/132239131.db2.gz WXTXHUPTHXNPKU-BXKDBHETSA-N 2 1 234.347 1.521 20 0 BDADMP Cc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC000336626367 132249198 /nfs/dbraw/zinc/24/91/98/132249198.db2.gz XBVVYVYSCAOOSS-NWDGAFQWSA-N 2 1 219.332 1.919 20 0 BDADMP Cc1cc[nH+]c(N2CCC[C@H](C[NH3+])C2)c1 ZINC000044532208 132354455 /nfs/dbraw/zinc/35/44/55/132354455.db2.gz LIVRAZVPRNAKOF-LLVKDONJSA-N 2 1 205.305 1.565 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2NCC3)CC[NH2+]1 ZINC000335261597 133818419 /nfs/dbraw/zinc/81/84/19/133818419.db2.gz ONCPSNVRNDMIEB-FZMZJTMJSA-N 2 1 245.370 1.885 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)[C@@H](C)C[N@H+]1C ZINC000351925669 134007306 /nfs/dbraw/zinc/00/73/06/134007306.db2.gz FHQYIAVJIWIBDQ-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)[C@@H](C)C[NH+]1C ZINC000351925669 134007307 /nfs/dbraw/zinc/00/73/07/134007307.db2.gz FHQYIAVJIWIBDQ-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)[C@@H](C)C[NH+]1C ZINC000351925669 134007308 /nfs/dbraw/zinc/00/73/08/134007308.db2.gz FHQYIAVJIWIBDQ-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP Cc1n[nH]cc1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000335970975 134029678 /nfs/dbraw/zinc/02/96/78/134029678.db2.gz JORNIBVPOPWOOP-YPMHNXCESA-N 2 1 234.347 1.244 20 0 BDADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000352004785 134034254 /nfs/dbraw/zinc/03/42/54/134034254.db2.gz QCEFAOMAZTZUBG-RYUDHWBXSA-N 2 1 246.370 1.512 20 0 BDADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000352004785 134034255 /nfs/dbraw/zinc/03/42/55/134034255.db2.gz QCEFAOMAZTZUBG-RYUDHWBXSA-N 2 1 246.370 1.512 20 0 BDADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](C)O ZINC000352210152 134107359 /nfs/dbraw/zinc/10/73/59/134107359.db2.gz FPNDAGPFIBDMBS-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](C)O ZINC000352210152 134107360 /nfs/dbraw/zinc/10/73/60/134107360.db2.gz FPNDAGPFIBDMBS-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](C)O ZINC000352210152 134107361 /nfs/dbraw/zinc/10/73/61/134107361.db2.gz FPNDAGPFIBDMBS-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O ZINC000352210151 134107405 /nfs/dbraw/zinc/10/74/05/134107405.db2.gz FPNDAGPFIBDMBS-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)O ZINC000352210151 134107406 /nfs/dbraw/zinc/10/74/06/134107406.db2.gz FPNDAGPFIBDMBS-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C)O ZINC000352210151 134107407 /nfs/dbraw/zinc/10/74/07/134107407.db2.gz FPNDAGPFIBDMBS-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000167594803 134116612 /nfs/dbraw/zinc/11/66/12/134116612.db2.gz CUAWNJXQLKRCRC-AGIUHOORSA-N 2 1 226.364 1.330 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C(C)C)[C@H](C)C1 ZINC000167773439 134154158 /nfs/dbraw/zinc/15/41/58/134154158.db2.gz GIOJVDYANHRWAO-AGIUHOORSA-N 2 1 228.380 1.323 20 0 BDADMP CCN(CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000217506267 134248806 /nfs/dbraw/zinc/24/88/06/134248806.db2.gz XGKPLESKBAKPOU-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](CO)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169243310 134250097 /nfs/dbraw/zinc/25/00/97/134250097.db2.gz GSFNPGIBYFIKOP-XDTLVQLUSA-N 2 1 220.316 1.349 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000085282164 134274747 /nfs/dbraw/zinc/27/47/47/134274747.db2.gz URKBYDKATQDOLM-PHIMTYICSA-N 2 1 222.357 1.708 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000220507910 134309684 /nfs/dbraw/zinc/30/96/84/134309684.db2.gz KBWNIJUAOKSUNX-QMMMGPOBSA-N 2 1 214.259 1.792 20 0 BDADMP C[C@@H]([NH3+])CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000178655013 134312508 /nfs/dbraw/zinc/31/25/08/134312508.db2.gz SSPOGEDQGINASD-DGCLKSJQSA-N 2 1 249.358 1.143 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178706475 134313098 /nfs/dbraw/zinc/31/30/98/134313098.db2.gz MLFXQTREPFAZHA-RYUDHWBXSA-N 2 1 239.363 1.842 20 0 BDADMP Cn1cc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cn1 ZINC000178981594 134314250 /nfs/dbraw/zinc/31/42/50/134314250.db2.gz ABXPVQVTOXTWLP-ZDUSSCGKSA-N 2 1 248.374 1.209 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220946870 134315317 /nfs/dbraw/zinc/31/53/17/134315317.db2.gz NETAXUXTSYKSQU-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220946870 134315318 /nfs/dbraw/zinc/31/53/18/134315318.db2.gz NETAXUXTSYKSQU-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220946870 134315319 /nfs/dbraw/zinc/31/53/19/134315319.db2.gz NETAXUXTSYKSQU-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP c1cn(CCC[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000179655292 134323168 /nfs/dbraw/zinc/32/31/68/134323168.db2.gz KCQDDPUEIZNDBD-UHFFFAOYSA-N 2 1 235.331 1.528 20 0 BDADMP C1CC1[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000222048369 134329500 /nfs/dbraw/zinc/32/95/00/134329500.db2.gz VXWBCPPDCUIEKU-VNHYZAJKSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000222048369 134329501 /nfs/dbraw/zinc/32/95/01/134329501.db2.gz VXWBCPPDCUIEKU-VNHYZAJKSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000222048369 134329502 /nfs/dbraw/zinc/32/95/02/134329502.db2.gz VXWBCPPDCUIEKU-VNHYZAJKSA-N 2 1 249.402 1.440 20 0 BDADMP C1CC1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000222048369 134329503 /nfs/dbraw/zinc/32/95/03/134329503.db2.gz VXWBCPPDCUIEKU-VNHYZAJKSA-N 2 1 249.402 1.440 20 0 BDADMP C[NH+](C)C(C)(C)C[NH2+]C[C@H]1CCSC1 ZINC000224296514 134345782 /nfs/dbraw/zinc/34/57/82/134345782.db2.gz WLRVCIZDMCRGMK-SNVBAGLBSA-N 2 1 216.394 1.669 20 0 BDADMP C[C@@H](CNC1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000226319534 134360411 /nfs/dbraw/zinc/36/04/11/134360411.db2.gz HNXLRVKTAVKTPV-NSHDSACASA-N 2 1 225.380 1.153 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192468896 134585280 /nfs/dbraw/zinc/58/52/80/134585280.db2.gz FEBUUESBBIQZOP-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H](COC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000070656594 135005134 /nfs/dbraw/zinc/00/51/34/135005134.db2.gz HLNFLSYROYWAQA-NSHDSACASA-N 2 1 226.364 1.628 20 0 BDADMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000248665017 135018392 /nfs/dbraw/zinc/01/83/92/135018392.db2.gz LBDCLPIPRXHCAW-CHWSQXEVSA-N 2 1 249.358 1.281 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000249042914 135031317 /nfs/dbraw/zinc/03/13/17/135031317.db2.gz HAAQTFBOXZUNJQ-DGAVXFQQSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250314064 135051206 /nfs/dbraw/zinc/05/12/06/135051206.db2.gz MFWFTJOMEKSMBP-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000251357631 135068708 /nfs/dbraw/zinc/06/87/08/135068708.db2.gz UPULBHXGRKMVNR-RDBSUJKOSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCCOC1 ZINC000251416492 135068821 /nfs/dbraw/zinc/06/88/21/135068821.db2.gz OZTUSJLDRGSXEU-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CS1 ZINC000251673898 135073709 /nfs/dbraw/zinc/07/37/09/135073709.db2.gz AFHKPTXINZJKDM-USZNOCQGSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CS1 ZINC000251673898 135073712 /nfs/dbraw/zinc/07/37/12/135073712.db2.gz AFHKPTXINZJKDM-USZNOCQGSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251720086 135075669 /nfs/dbraw/zinc/07/56/69/135075669.db2.gz BZNDIWKLEZLXFA-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CC1CCCC1 ZINC000086435781 135084117 /nfs/dbraw/zinc/08/41/17/135084117.db2.gz JWUDKCLAZKGHJK-UHFFFAOYSA-N 2 1 200.326 1.084 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000086435889 135084818 /nfs/dbraw/zinc/08/48/18/135084818.db2.gz LHGKOMWKWQKSLJ-SECBINFHSA-N 2 1 240.269 1.236 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000086435884 135084867 /nfs/dbraw/zinc/08/48/67/135084867.db2.gz FYNNBBDYPQHRAH-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000252430359 135089212 /nfs/dbraw/zinc/08/92/12/135089212.db2.gz LKQWPZJICNIJLN-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)OCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638353 135091480 /nfs/dbraw/zinc/09/14/80/135091480.db2.gz BXUULUOACCCQAB-UHFFFAOYSA-N 2 1 202.342 1.328 20 0 BDADMP CC(C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252560472 135092291 /nfs/dbraw/zinc/09/22/91/135092291.db2.gz VTQRXDVEGFMFTA-NWDGAFQWSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252560472 135092292 /nfs/dbraw/zinc/09/22/92/135092292.db2.gz VTQRXDVEGFMFTA-NWDGAFQWSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000086730375 135096057 /nfs/dbraw/zinc/09/60/57/135096057.db2.gz KCOJQYFQGQFZJH-KOLCDFICSA-N 2 1 224.373 1.939 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000252711980 135100293 /nfs/dbraw/zinc/10/02/93/135100293.db2.gz LDRCCSUBWPXCCT-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252711879 135100617 /nfs/dbraw/zinc/10/06/17/135100617.db2.gz KVTXGKIZSLWRPY-QNWHQSFQSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252714925 135101668 /nfs/dbraw/zinc/10/16/68/135101668.db2.gz UBIOBESAUSEZGJ-KWCYVHTRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252714925 135101670 /nfs/dbraw/zinc/10/16/70/135101670.db2.gz UBIOBESAUSEZGJ-KWCYVHTRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000086934792 135102292 /nfs/dbraw/zinc/10/22/92/135102292.db2.gz WTKRRYSWCPPYKB-MWLCHTKSSA-N 2 1 214.378 1.564 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCC1CCOCC1 ZINC000258814077 135102964 /nfs/dbraw/zinc/10/29/64/135102964.db2.gz SRSSVWWQYMQGFF-UHFFFAOYSA-N 2 1 214.353 1.344 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000261549624 135109104 /nfs/dbraw/zinc/10/91/04/135109104.db2.gz KSELJYZVHKDBJX-ZDUSSCGKSA-N 2 1 235.331 1.266 20 0 BDADMP C[C@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252959047 135117400 /nfs/dbraw/zinc/11/74/00/135117400.db2.gz LRUYEFBXEIFNMJ-PBYDBYKOSA-N 2 1 208.349 1.857 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000252966623 135118876 /nfs/dbraw/zinc/11/88/76/135118876.db2.gz SVPJGYVXJIWRHV-YPMHNXCESA-N 2 1 236.363 1.333 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000252966623 135118877 /nfs/dbraw/zinc/11/88/77/135118877.db2.gz SVPJGYVXJIWRHV-YPMHNXCESA-N 2 1 236.363 1.333 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000253069077 135120378 /nfs/dbraw/zinc/12/03/78/135120378.db2.gz LIIJGHWEHZTNSE-JHJVBQTASA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@@H]1O ZINC000253176299 135122997 /nfs/dbraw/zinc/12/29/97/135122997.db2.gz FZFDCGUSCCKSTC-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@@H]1O ZINC000253176299 135122998 /nfs/dbraw/zinc/12/29/98/135122998.db2.gz FZFDCGUSCCKSTC-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@@H]1O ZINC000253176299 135123000 /nfs/dbraw/zinc/12/30/00/135123000.db2.gz FZFDCGUSCCKSTC-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000253245385 135124503 /nfs/dbraw/zinc/12/45/03/135124503.db2.gz GDZHSXZMRVPHJU-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CS1 ZINC000253277890 135125415 /nfs/dbraw/zinc/12/54/15/135125415.db2.gz JKQMRZSZGKZMHN-WISYIIOYSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CS1 ZINC000253277890 135125416 /nfs/dbraw/zinc/12/54/16/135125416.db2.gz JKQMRZSZGKZMHN-WISYIIOYSA-N 2 1 228.405 1.810 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253266727 135125653 /nfs/dbraw/zinc/12/56/53/135125653.db2.gz XVGASSZFNNERDX-NWDGAFQWSA-N 2 1 214.353 1.328 20 0 BDADMP C[N@H+](CCOCC1CC1)[C@H](C[NH3+])C1CC1 ZINC000087399278 135129766 /nfs/dbraw/zinc/12/97/66/135129766.db2.gz UFNIMUKYKMACOJ-GFCCVEGCSA-N 2 1 212.337 1.082 20 0 BDADMP C[N@@H+](CCOCC1CC1)[C@H](C[NH3+])C1CC1 ZINC000087399278 135129767 /nfs/dbraw/zinc/12/97/67/135129767.db2.gz UFNIMUKYKMACOJ-GFCCVEGCSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257638632 135137671 /nfs/dbraw/zinc/13/76/71/135137671.db2.gz AFXKNIJFQNCALL-CQSZACIVSA-N 2 1 248.374 1.602 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257638632 135137672 /nfs/dbraw/zinc/13/76/72/135137672.db2.gz AFXKNIJFQNCALL-CQSZACIVSA-N 2 1 248.374 1.602 20 0 BDADMP Cc1ncccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257691053 135139488 /nfs/dbraw/zinc/13/94/88/135139488.db2.gz NNVYQLLBVAILMA-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257691053 135139489 /nfs/dbraw/zinc/13/94/89/135139489.db2.gz NNVYQLLBVAILMA-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP c1cncc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257701207 135139956 /nfs/dbraw/zinc/13/99/56/135139956.db2.gz QCXQPLGFKCREFB-UHFFFAOYSA-N 2 1 245.370 1.700 20 0 BDADMP c1cncc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257724703 135140957 /nfs/dbraw/zinc/14/09/57/135140957.db2.gz WGOWFTAFGNBNON-HNNXBMFYSA-N 2 1 245.370 1.700 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257722412 135141246 /nfs/dbraw/zinc/14/12/46/135141246.db2.gz PVESBVQJULQOST-JSGCOSHPSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257722412 135141247 /nfs/dbraw/zinc/14/12/47/135141247.db2.gz PVESBVQJULQOST-JSGCOSHPSA-N 2 1 231.343 1.828 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000087478936 135143689 /nfs/dbraw/zinc/14/36/89/135143689.db2.gz NCJDXNFGOJJOGB-STQMWFEESA-N 2 1 228.380 1.589 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000087478933 135144055 /nfs/dbraw/zinc/14/40/55/135144055.db2.gz NCJDXNFGOJJOGB-OLZOCXBDSA-N 2 1 228.380 1.589 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261545467 135148569 /nfs/dbraw/zinc/14/85/69/135148569.db2.gz KBKSTSGYUIXRSP-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])CCS1 ZINC000261527570 135152296 /nfs/dbraw/zinc/15/22/96/135152296.db2.gz CWXRPSOBHLJUHY-SECBINFHSA-N 2 1 202.367 1.551 20 0 BDADMP COC[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261529102 135155279 /nfs/dbraw/zinc/15/52/79/135155279.db2.gz AHNPPVSHRZWBRZ-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccncc1 ZINC000261530356 135157539 /nfs/dbraw/zinc/15/75/39/135157539.db2.gz CPNVDAYDVNAGLP-LBPRGKRZSA-N 2 1 207.321 1.545 20 0 BDADMP CSCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261530165 135157719 /nfs/dbraw/zinc/15/77/19/135157719.db2.gz XOBXSIGLXPRMSK-GHMZBOCLSA-N 2 1 216.394 1.669 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]12 ZINC000261531456 135159812 /nfs/dbraw/zinc/15/98/12/135159812.db2.gz GOSNKUFOSOYWGI-IJLUTSLNSA-N 2 1 222.357 1.917 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261531677 135160674 /nfs/dbraw/zinc/16/06/74/135160674.db2.gz HLQRBYTZUPEIBU-RYUDHWBXSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1ccoc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261531905 135161941 /nfs/dbraw/zinc/16/19/41/135161941.db2.gz IHYMCDXBPSCPDV-NSHDSACASA-N 2 1 208.305 1.820 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000261532825 135163758 /nfs/dbraw/zinc/16/37/58/135163758.db2.gz KHWBHFHPOVHIKR-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000261532825 135163760 /nfs/dbraw/zinc/16/37/60/135163760.db2.gz KHWBHFHPOVHIKR-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261533902 135165940 /nfs/dbraw/zinc/16/59/40/135165940.db2.gz KYZHLJMLJQLVOZ-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1CCCN(Cc2noc(C[NH3+])n2)[C@H]1C ZINC000261534295 135166991 /nfs/dbraw/zinc/16/69/91/135166991.db2.gz PNZYDJSAMYVURJ-BDAKNGLRSA-N 2 1 224.308 1.149 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000261535021 135169043 /nfs/dbraw/zinc/16/90/43/135169043.db2.gz VTJRIAQGNDUQJL-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000261535505 135169511 /nfs/dbraw/zinc/16/95/11/135169511.db2.gz ZXVGZWMAOHXBOF-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261535804 135170221 /nfs/dbraw/zinc/17/02/21/135170221.db2.gz PGVRWERXTDXRAT-VXGBXAGGSA-N 2 1 228.405 1.800 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C[C@H]1C[NH3+] ZINC000261535778 135170297 /nfs/dbraw/zinc/17/02/97/135170297.db2.gz PDHGBUKNOZAVBG-IJLUTSLNSA-N 2 1 228.405 1.656 20 0 BDADMP CCc1nc(N(C)CC[NH2+]C)cc(C)[nH+]1 ZINC000261536028 135171395 /nfs/dbraw/zinc/17/13/95/135171395.db2.gz QDRMJBVJPUYHBI-UHFFFAOYSA-N 2 1 208.309 1.003 20 0 BDADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](C)[NH3+])C1 ZINC000261538540 135176439 /nfs/dbraw/zinc/17/64/39/135176439.db2.gz YMJFVABIZOGHOM-GMTAPVOTSA-N 2 1 216.394 1.940 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000261540125 135179186 /nfs/dbraw/zinc/17/91/86/135179186.db2.gz DTOJTHXRXBZCFB-YPMHNXCESA-N 2 1 243.395 1.350 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261542158 135182473 /nfs/dbraw/zinc/18/24/73/135182473.db2.gz BWNDORPPFRHSFD-LSDHHAIUSA-N 2 1 230.355 1.770 20 0 BDADMP CCC(C)(C)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261542020 135182597 /nfs/dbraw/zinc/18/25/97/135182597.db2.gz GIKXCWZHNDMXRY-TXEJJXNPSA-N 2 1 210.365 1.964 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]12 ZINC000261542693 135183332 /nfs/dbraw/zinc/18/33/32/135183332.db2.gz CHQAVAFCLSQCNI-KWCYVHTRSA-N 2 1 234.318 1.995 20 0 BDADMP Cc1cnn(CC[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000261543348 135184173 /nfs/dbraw/zinc/18/41/73/135184173.db2.gz CXVNQAOSAYDRJY-ZDUSSCGKSA-N 2 1 236.363 1.265 20 0 BDADMP CC[C@H]1CCCCC[N@@H+]1Cc1noc(CN)n1 ZINC000261543576 135184434 /nfs/dbraw/zinc/18/44/34/135184434.db2.gz URVNKJZUVBLLKT-JTQLQIEISA-N 2 1 238.335 1.683 20 0 BDADMP CC[C@H]1CCCCC[N@H+]1Cc1noc(CN)n1 ZINC000261543576 135184435 /nfs/dbraw/zinc/18/44/35/135184435.db2.gz URVNKJZUVBLLKT-JTQLQIEISA-N 2 1 238.335 1.683 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@H](C3CC3)C2)CC[NH2+]C1 ZINC000261543681 135184726 /nfs/dbraw/zinc/18/47/26/135184726.db2.gz HXWMLVPRKRPQGX-CHWSQXEVSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1cnn(CC[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000261544643 135186059 /nfs/dbraw/zinc/18/60/59/135186059.db2.gz FCKHJUCXVCTTDL-CYBMUJFWSA-N 2 1 236.363 1.252 20 0 BDADMP C([C@H]1CCOC1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261544714 135186321 /nfs/dbraw/zinc/18/63/21/135186321.db2.gz ZFNONOWLHVGJMS-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2ccon2)CC1 ZINC000261548315 135186778 /nfs/dbraw/zinc/18/67/78/135186778.db2.gz NJQDYLSKKWCJPH-UHFFFAOYSA-N 2 1 209.293 1.106 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])CCc1ccccc1 ZINC000261548606 135187309 /nfs/dbraw/zinc/18/73/09/135187309.db2.gz JSRMIZCNDDUHIR-UHFFFAOYSA-N 2 1 236.359 1.526 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261549221 135187802 /nfs/dbraw/zinc/18/78/02/135187802.db2.gz KFOAAMHPHDCPTA-FRRDWIJNSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261549221 135187804 /nfs/dbraw/zinc/18/78/04/135187804.db2.gz KFOAAMHPHDCPTA-FRRDWIJNSA-N 2 1 231.343 1.684 20 0 BDADMP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550861 135189925 /nfs/dbraw/zinc/18/99/25/135189925.db2.gz RIZOQUJSELHVMN-MJBXVCDLSA-N 2 1 248.374 1.022 20 0 BDADMP CCC1(C[N@H+]2CC[C@H](C[NH2+]C)C2)CCOCC1 ZINC000261552280 135191189 /nfs/dbraw/zinc/19/11/89/135191189.db2.gz MVTZNLHRQVTHEL-CYBMUJFWSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@H]1CSCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261553209 135192678 /nfs/dbraw/zinc/19/26/78/135192678.db2.gz SIUKBTOPRKZUDD-VXGBXAGGSA-N 2 1 228.405 1.671 20 0 BDADMP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216814 135192736 /nfs/dbraw/zinc/19/27/36/135192736.db2.gz XMNDVUQDLMJNFB-WDEREUQCSA-N 2 1 222.336 1.027 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000261560067 135200175 /nfs/dbraw/zinc/20/01/75/135200175.db2.gz ZMCNCLMPIYBPAL-DGCLKSJQSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261560523 135201229 /nfs/dbraw/zinc/20/12/29/135201229.db2.gz UTAQLBJGYTWVCI-IACUBPJLSA-N 2 1 231.343 1.559 20 0 BDADMP Cc1ncccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261561431 135202723 /nfs/dbraw/zinc/20/27/23/135202723.db2.gz VLGRFMLBHPUJSX-DGCLKSJQSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261561529 135202854 /nfs/dbraw/zinc/20/28/54/135202854.db2.gz ARQUXYVKWVMLAX-RYUDHWBXSA-N 2 1 217.316 1.436 20 0 BDADMP Cc1ncccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261561433 135203016 /nfs/dbraw/zinc/20/30/16/135203016.db2.gz VLGRFMLBHPUJSX-YPMHNXCESA-N 2 1 233.359 1.949 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]12 ZINC000261561488 135203044 /nfs/dbraw/zinc/20/30/44/135203044.db2.gz APOBXWBPDQGEBP-CYZMBNFOSA-N 2 1 217.316 1.251 20 0 BDADMP CCc1nc(N[C@@H]2CCC[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000261562296 135203751 /nfs/dbraw/zinc/20/37/51/135203751.db2.gz WFCCRFIFAJLTCV-GHMZBOCLSA-N 2 1 234.347 1.887 20 0 BDADMP CCc1nc(N2CC[C@@H](C[NH2+]C)C2)cc(C)[nH+]1 ZINC000261564638 135206991 /nfs/dbraw/zinc/20/69/91/135206991.db2.gz XTZOYWFWNDTALD-NSHDSACASA-N 2 1 234.347 1.393 20 0 BDADMP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261567119 135209158 /nfs/dbraw/zinc/20/91/58/135209158.db2.gz ZQCMGPSIZBYBCH-OLZOCXBDSA-N 2 1 234.318 1.867 20 0 BDADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261567119 135209159 /nfs/dbraw/zinc/20/91/59/135209159.db2.gz ZQCMGPSIZBYBCH-OLZOCXBDSA-N 2 1 234.318 1.867 20 0 BDADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000163978779 135209544 /nfs/dbraw/zinc/20/95/44/135209544.db2.gz SNBNQAYFWZODRZ-OLZOCXBDSA-N 2 1 238.375 1.362 20 0 BDADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC000261572423 135215041 /nfs/dbraw/zinc/21/50/41/135215041.db2.gz IDRJXIZKARYKNU-LBPRGKRZSA-N 2 1 226.364 1.079 20 0 BDADMP CCc1nc(N2CCC[C@@H]([C@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000261572919 135215347 /nfs/dbraw/zinc/21/53/47/135215347.db2.gz MBLWUGFZSWRXKJ-NWDGAFQWSA-N 2 1 248.374 1.911 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261573407 135215688 /nfs/dbraw/zinc/21/56/88/135215688.db2.gz IUFKMNGLDPXLOR-YPMHNXCESA-N 2 1 219.332 1.813 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000261583869 135225087 /nfs/dbraw/zinc/22/50/87/135225087.db2.gz PHXDRUZNHSNPSU-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP COCc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000261585097 135225825 /nfs/dbraw/zinc/22/58/25/135225825.db2.gz QDQCCKYEPQDKAM-QWRGUYRKSA-N 2 1 222.332 1.658 20 0 BDADMP Cc1cnn(CC[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000261586953 135227887 /nfs/dbraw/zinc/22/78/87/135227887.db2.gz RKEMJVYBNDKBKW-UHFFFAOYSA-N 2 1 224.352 1.108 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261591164 135231918 /nfs/dbraw/zinc/23/19/18/135231918.db2.gz VCQZCABLUQSLFG-YNEHKIRRSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOCC1CC1 ZINC000261595425 135234964 /nfs/dbraw/zinc/23/49/64/135234964.db2.gz YCIYMDXTJMQHDA-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@]1(C[N@H+]2CCC3(C2)CCOCC3)CC[NH2+]C1 ZINC000261546800 135239246 /nfs/dbraw/zinc/23/92/46/135239246.db2.gz HJJRNNYIMYXVJG-CYBMUJFWSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000261547409 135239930 /nfs/dbraw/zinc/23/99/30/135239930.db2.gz HYOJGBQEUHKWBE-UWVGGRQHSA-N 2 1 236.315 1.283 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CC2)C1 ZINC000261547120 135240422 /nfs/dbraw/zinc/24/04/22/135240422.db2.gz LWILBLWGQUSISJ-GFCCVEGCSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H]1CCC[NH2+]C1 ZINC000261654265 135242521 /nfs/dbraw/zinc/24/25/21/135242521.db2.gz BGTBJKWNSHSIJM-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@H](CNC1=[NH+]CCCN1)[N@H+]1CCC[C@@H](C)C1 ZINC000261699475 135246617 /nfs/dbraw/zinc/24/66/17/135246617.db2.gz CJMWWFSCWRTOFE-VXGBXAGGSA-N 2 1 238.379 1.046 20 0 BDADMP CN(C)c1ccccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261730552 135248159 /nfs/dbraw/zinc/24/81/59/135248159.db2.gz OFRXPCCJGKUZIN-HNNXBMFYSA-N 2 1 247.386 1.923 20 0 BDADMP C([NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CC1 ZINC000261853677 135257623 /nfs/dbraw/zinc/25/76/23/135257623.db2.gz BKHSJIVVHCXASB-RWMBFGLXSA-N 2 1 224.348 1.143 20 0 BDADMP CC(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261899481 135261219 /nfs/dbraw/zinc/26/12/19/135261219.db2.gz HNZDLIOWVMKOJW-UPJWGTAASA-N 2 1 226.364 1.389 20 0 BDADMP C[C@@H]1[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)CCN1C ZINC000261975203 135269079 /nfs/dbraw/zinc/26/90/79/135269079.db2.gz QSIJKTDHNUASNU-VXGBXAGGSA-N 2 1 225.380 1.010 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000261997217 135270656 /nfs/dbraw/zinc/27/06/56/135270656.db2.gz KYECFSVHPLATGM-STQMWFEESA-N 2 1 224.348 1.098 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000262030871 135273574 /nfs/dbraw/zinc/27/35/74/135273574.db2.gz XDJQIAAEAVIQBN-ZIAGYGMSSA-N 2 1 238.375 1.344 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000262080557 135277520 /nfs/dbraw/zinc/27/75/20/135277520.db2.gz AXOMRLMSFKEHPZ-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CN ZINC000262116242 135279948 /nfs/dbraw/zinc/27/99/48/135279948.db2.gz BKTBOXSDUBHWMS-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCCN(CC2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000262116242 135279950 /nfs/dbraw/zinc/27/99/50/135279950.db2.gz BKTBOXSDUBHWMS-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H](N)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262131356 135280886 /nfs/dbraw/zinc/28/08/86/135280886.db2.gz OBNRSZCGWRDNAI-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000262131356 135280887 /nfs/dbraw/zinc/28/08/87/135280887.db2.gz OBNRSZCGWRDNAI-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP CCc1nc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000262310737 135292384 /nfs/dbraw/zinc/29/23/84/135292384.db2.gz YYJUPTAGJJJBEU-MWLCHTKSSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000299901345 135381259 /nfs/dbraw/zinc/38/12/59/135381259.db2.gz BPAMTDSLHIDZIM-TZMCWYRMSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000299901345 135381261 /nfs/dbraw/zinc/38/12/61/135381261.db2.gz BPAMTDSLHIDZIM-TZMCWYRMSA-N 2 1 233.359 1.820 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCSC1 ZINC000299962795 135383164 /nfs/dbraw/zinc/38/31/64/135383164.db2.gz GXEOXROYBYBUKJ-WISYIIOYSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000348141629 136038999 /nfs/dbraw/zinc/03/89/99/136038999.db2.gz ZDFRSTGVUCLFPL-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC000335569719 136108716 /nfs/dbraw/zinc/10/87/16/136108716.db2.gz CENMHZXNWDTHGA-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCCCO3)C2)C1 ZINC000335569719 136108717 /nfs/dbraw/zinc/10/87/17/136108717.db2.gz CENMHZXNWDTHGA-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCCCO3)C2)C1 ZINC000335569719 136108718 /nfs/dbraw/zinc/10/87/18/136108718.db2.gz CENMHZXNWDTHGA-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC(C)(C)C1)C1CC1 ZINC000310113065 397878871 /nfs/dbraw/zinc/87/88/71/397878871.db2.gz RYQKNZWPYNBZKZ-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC(C)(C)C1)C1CC1 ZINC000310113065 397878872 /nfs/dbraw/zinc/87/88/72/397878872.db2.gz RYQKNZWPYNBZKZ-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000310113065 397878877 /nfs/dbraw/zinc/87/88/77/397878877.db2.gz RYQKNZWPYNBZKZ-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000310113065 397878880 /nfs/dbraw/zinc/87/88/80/397878880.db2.gz RYQKNZWPYNBZKZ-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CCN(C[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000649567613 397959177 /nfs/dbraw/zinc/95/91/77/397959177.db2.gz XXJTUGMUJRHVMX-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000649567613 397959179 /nfs/dbraw/zinc/95/91/79/397959179.db2.gz XXJTUGMUJRHVMX-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000649567613 397959181 /nfs/dbraw/zinc/95/91/81/397959181.db2.gz XXJTUGMUJRHVMX-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CCc1nc(N[C@@H]2CC[NH2+][C@@H](C)C2)cc(C)[nH+]1 ZINC000383071119 397997544 /nfs/dbraw/zinc/99/75/44/397997544.db2.gz QAVWUEFFCKMUSZ-GXSJLCMTSA-N 2 1 234.347 1.322 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414659247 398008658 /nfs/dbraw/zinc/00/86/58/398008658.db2.gz KVMNBWHWMWJSFI-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[NH2+][C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414659247 398008662 /nfs/dbraw/zinc/00/86/62/398008662.db2.gz KVMNBWHWMWJSFI-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP CCC[N@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414676564 398014708 /nfs/dbraw/zinc/01/47/08/398014708.db2.gz VGXBZNLFJXOUME-VXGBXAGGSA-N 2 1 242.363 1.260 20 0 BDADMP COCC1(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000383765135 398036406 /nfs/dbraw/zinc/03/64/06/398036406.db2.gz FOJDUCFVYMKXHC-CYBMUJFWSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000384396826 398085004 /nfs/dbraw/zinc/08/50/04/398085004.db2.gz OMFBCNYQMIVTFS-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)nc1 ZINC000258697666 322874858 /nfs/dbraw/zinc/87/48/58/322874858.db2.gz JVIBTSKVTZYBDE-LLVKDONJSA-N 2 1 205.305 1.313 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000680338562 487567956 /nfs/dbraw/zinc/56/79/56/487567956.db2.gz FFJYTEUNAGOQCI-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000393282061 487571297 /nfs/dbraw/zinc/57/12/97/487571297.db2.gz YXEIPLAHFDURTH-YNEHKIRRSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H](C)[N@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402043 487575864 /nfs/dbraw/zinc/57/58/64/487575864.db2.gz AVKCQTWSWAHQPI-SECBINFHSA-N 2 1 240.351 1.884 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402043 487575869 /nfs/dbraw/zinc/57/58/69/487575869.db2.gz AVKCQTWSWAHQPI-SECBINFHSA-N 2 1 240.351 1.884 20 0 BDADMP CC(C)OCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250592921 167232756 /nfs/dbraw/zinc/23/27/56/167232756.db2.gz VUIGMVWZMCOGJA-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250592921 167232759 /nfs/dbraw/zinc/23/27/59/167232759.db2.gz VUIGMVWZMCOGJA-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070356915 487589890 /nfs/dbraw/zinc/58/98/90/487589890.db2.gz RQPXJFHZZYVFAI-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000228163100 487594360 /nfs/dbraw/zinc/59/43/60/487594360.db2.gz HIFFUVSOJAFGJE-TZMCWYRMSA-N 2 1 240.391 1.731 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232450005 487594574 /nfs/dbraw/zinc/59/45/74/487594574.db2.gz QCCAOSSPEKGOQX-RYUDHWBXSA-N 2 1 212.337 1.145 20 0 BDADMP Cn1c[nH+]cc1CCCN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662263867 409560723 /nfs/dbraw/zinc/56/07/23/409560723.db2.gz GBZNKDGPYWCNLC-AWEZNQCLSA-N 2 1 248.374 1.179 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662265858 409563538 /nfs/dbraw/zinc/56/35/38/409563538.db2.gz JGGAWVQUMNDPHF-CYZMBNFOSA-N 2 1 249.358 1.796 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267408 409568426 /nfs/dbraw/zinc/56/84/26/409568426.db2.gz VEZVTBBFIQCCDV-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC000662244136 409535381 /nfs/dbraw/zinc/53/53/81/409535381.db2.gz CRKCLSGTRUXEJG-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267405 409569159 /nfs/dbraw/zinc/56/91/59/409569159.db2.gz VEZVTBBFIQCCDV-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)C1CCC1 ZINC000662246065 409541204 /nfs/dbraw/zinc/54/12/04/409541204.db2.gz NSKKGOYRBFAHJM-JQWIXIFHSA-N 2 1 212.337 1.082 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000662247161 409543868 /nfs/dbraw/zinc/54/38/68/409543868.db2.gz UKRGGAIIMMZYNE-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251670 409548150 /nfs/dbraw/zinc/54/81/50/409548150.db2.gz DGVMTWQGCAXHSW-RYUDHWBXSA-N 2 1 224.348 1.382 20 0 BDADMP CC[N@@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254720 409552842 /nfs/dbraw/zinc/55/28/42/409552842.db2.gz KCNGUUUKCPSGES-GFCCVEGCSA-N 2 1 224.348 1.239 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ncn1 ZINC000662272509 409577788 /nfs/dbraw/zinc/57/77/88/409577788.db2.gz GADVWKLQXDZIQY-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ncn1 ZINC000662272509 409577797 /nfs/dbraw/zinc/57/77/97/409577797.db2.gz GADVWKLQXDZIQY-ZDUSSCGKSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000662272517 409578939 /nfs/dbraw/zinc/57/89/39/409578939.db2.gz GAHQEWYONCPMEA-NSHDSACASA-N 2 1 209.293 1.154 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000662272517 409578944 /nfs/dbraw/zinc/57/89/44/409578944.db2.gz GAHQEWYONCPMEA-NSHDSACASA-N 2 1 209.293 1.154 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000662283214 409610982 /nfs/dbraw/zinc/61/09/82/409610982.db2.gz SGSADGXKGGFWBU-PWSUYJOCSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000662283214 409610988 /nfs/dbraw/zinc/61/09/88/409610988.db2.gz SGSADGXKGGFWBU-PWSUYJOCSA-N 2 1 234.347 1.202 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cccc2c1CCC2 ZINC000650703405 410332227 /nfs/dbraw/zinc/33/22/27/410332227.db2.gz YUILESZOCZIBBY-UHFFFAOYSA-N 2 1 218.344 1.956 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000650706314 410338180 /nfs/dbraw/zinc/33/81/80/410338180.db2.gz IPZKWXJLCSRWPA-BFHYXJOUSA-N 2 1 238.375 1.615 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709850 410340737 /nfs/dbraw/zinc/34/07/37/410340737.db2.gz SZHGZKCHOZCVQI-JSGCOSHPSA-N 2 1 240.391 1.720 20 0 BDADMP C[NH2+]Cc1ccccc1CNC1CC[NH2+]CC1 ZINC000650720171 410358425 /nfs/dbraw/zinc/35/84/25/410358425.db2.gz GYSVFVKEDDSIDB-UHFFFAOYSA-N 2 1 233.359 1.248 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000650740403 410373098 /nfs/dbraw/zinc/37/30/98/410373098.db2.gz LYGSEUUCFMZAIO-UONOGXRCSA-N 2 1 241.423 1.552 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000650761072 410409662 /nfs/dbraw/zinc/40/96/62/410409662.db2.gz RKUGHEWZUGOGDH-NTZNESFSSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000650763922 410414687 /nfs/dbraw/zinc/41/46/87/410414687.db2.gz MHEFBVQRRGAGIU-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)CCN1C ZINC000650763922 410414692 /nfs/dbraw/zinc/41/46/92/410414692.db2.gz MHEFBVQRRGAGIU-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000393837401 410764647 /nfs/dbraw/zinc/76/46/47/410764647.db2.gz RGNLSSSEBVJGID-HZSPNIEDSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000653299343 410816480 /nfs/dbraw/zinc/81/64/80/410816480.db2.gz PSAKQDUBHNWCGT-JSGCOSHPSA-N 3 1 239.407 1.578 20 0 BDADMP CC(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000088114799 167009771 /nfs/dbraw/zinc/00/97/71/167009771.db2.gz JQBGKRIPYBILSC-UHFFFAOYSA-N 2 1 207.321 1.893 20 0 BDADMP CC(C)[C@@H](C)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402078 167369559 /nfs/dbraw/zinc/36/95/59/167369559.db2.gz YYBMFQJCJBGEFQ-SECBINFHSA-N 2 1 240.351 1.740 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402078 167369560 /nfs/dbraw/zinc/36/95/60/167369560.db2.gz YYBMFQJCJBGEFQ-SECBINFHSA-N 2 1 240.351 1.740 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000398503107 410968905 /nfs/dbraw/zinc/96/89/05/410968905.db2.gz CEHVUJPDQHKAHL-NWDGAFQWSA-N 2 1 214.353 1.269 20 0 BDADMP CC(C)[N@@H+](CCN1CC[NH2+]CC1)CC1CC1 ZINC000042593539 411021074 /nfs/dbraw/zinc/02/10/74/411021074.db2.gz JILMLDPWZNZLEC-UHFFFAOYSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000301019653 411129314 /nfs/dbraw/zinc/12/93/14/411129314.db2.gz NHIMHXJAXVEVAK-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP Cc1cc(C[NH2+]CCn2cc[nH+]c2C)on1 ZINC000044990854 411143120 /nfs/dbraw/zinc/14/31/20/411143120.db2.gz DEBBHXAGVLZESO-UHFFFAOYSA-N 2 1 220.276 1.278 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000651865711 411147866 /nfs/dbraw/zinc/14/78/66/411147866.db2.gz FMLKVAFEARLMQW-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC(C)(C)C2)C1 ZINC000659989135 411158330 /nfs/dbraw/zinc/15/83/30/411158330.db2.gz CLRYRCGZAIGBMW-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659989135 411158333 /nfs/dbraw/zinc/15/83/33/411158333.db2.gz CLRYRCGZAIGBMW-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659989135 411158338 /nfs/dbraw/zinc/15/83/38/411158338.db2.gz CLRYRCGZAIGBMW-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000652151469 411162105 /nfs/dbraw/zinc/16/21/05/411162105.db2.gz UBURMMDOCYVZDW-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP Cc1noc(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000110902380 411116153 /nfs/dbraw/zinc/11/61/53/411116153.db2.gz ZWWZGROHMZEMNB-UHFFFAOYSA-N 2 1 234.303 1.586 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000300717279 411125350 /nfs/dbraw/zinc/12/53/50/411125350.db2.gz ONFOVAYUDWSOHL-AAEUAGOBSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC2CCCC2)CCO1 ZINC000300717279 411125353 /nfs/dbraw/zinc/12/53/53/411125353.db2.gz ONFOVAYUDWSOHL-AAEUAGOBSA-N 2 1 226.364 1.615 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C(C)C ZINC000656152502 411186813 /nfs/dbraw/zinc/18/68/13/411186813.db2.gz KSDCTAQOSKQVPW-QWHCGFSZSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+](C)C[C@H](O)CN1CC(C)(C)[C@H]1C(C)C ZINC000656152502 411186816 /nfs/dbraw/zinc/18/68/16/411186816.db2.gz KSDCTAQOSKQVPW-QWHCGFSZSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1CC(C)(C)[C@H]1C(C)C ZINC000656152502 411186818 /nfs/dbraw/zinc/18/68/18/411186818.db2.gz KSDCTAQOSKQVPW-QWHCGFSZSA-N 2 1 242.407 1.665 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405385906 411197558 /nfs/dbraw/zinc/19/75/58/411197558.db2.gz PLWADGUGYREYTF-QJPTWQEYSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)CC[N@H+]1C ZINC000652311607 411197982 /nfs/dbraw/zinc/19/79/82/411197982.db2.gz RNQYFZKZTWAQAT-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ncn1 ZINC000656198150 411202813 /nfs/dbraw/zinc/20/28/13/411202813.db2.gz HTTCMKXWFOQURJ-QWRGUYRKSA-N 2 1 220.320 1.145 20 0 BDADMP OCCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000652343665 411208350 /nfs/dbraw/zinc/20/83/50/411208350.db2.gz CKZAOLDWZVMKTM-OAHLLOKOSA-N 2 1 248.370 1.481 20 0 BDADMP O[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000652353356 411211965 /nfs/dbraw/zinc/21/19/65/411211965.db2.gz BLQHFKQUPPXUPT-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1CC[NH3+] ZINC000652355683 411215113 /nfs/dbraw/zinc/21/51/13/411215113.db2.gz DHYHTRZUMXGEFS-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCNc1ccccn1 ZINC000422827710 411233394 /nfs/dbraw/zinc/23/33/94/411233394.db2.gz FFKTWYGSQYGRLW-CHWSQXEVSA-N 2 1 248.374 1.471 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422883831 411233572 /nfs/dbraw/zinc/23/35/72/411233572.db2.gz VRFNWXHDOFNGTP-UONOGXRCSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCNc1ccccn1 ZINC000422827715 411234022 /nfs/dbraw/zinc/23/40/22/411234022.db2.gz FFKTWYGSQYGRLW-QWHCGFSZSA-N 2 1 248.374 1.471 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CCCCC1 ZINC000310345243 411234611 /nfs/dbraw/zinc/23/46/11/411234611.db2.gz FUMDCIDWELPIHU-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000310345243 411234613 /nfs/dbraw/zinc/23/46/13/411234613.db2.gz FUMDCIDWELPIHU-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000310345243 411234616 /nfs/dbraw/zinc/23/46/16/411234616.db2.gz FUMDCIDWELPIHU-AWEZNQCLSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422905653 411234854 /nfs/dbraw/zinc/23/48/54/411234854.db2.gz IMXCFWQGLMOQCP-RWMBFGLXSA-N 2 1 227.396 1.304 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000656508691 411288490 /nfs/dbraw/zinc/28/84/90/411288490.db2.gz XNMHNRHQYFVSRK-NSHDSACASA-N 2 1 238.379 1.046 20 0 BDADMP OC[C@H](CC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000656509868 411289052 /nfs/dbraw/zinc/28/90/52/411289052.db2.gz ZAKCKVVHMOUTPZ-ZDUSSCGKSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000310944244 411298868 /nfs/dbraw/zinc/29/88/68/411298868.db2.gz KLRXEEBCBIGMKG-OAHLLOKOSA-N 2 1 246.354 1.920 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000310944244 411298871 /nfs/dbraw/zinc/29/88/71/411298871.db2.gz KLRXEEBCBIGMKG-OAHLLOKOSA-N 2 1 246.354 1.920 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3)C2)C1 ZINC000310944244 411298874 /nfs/dbraw/zinc/29/88/74/411298874.db2.gz KLRXEEBCBIGMKG-OAHLLOKOSA-N 2 1 246.354 1.920 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(O)cc3)C2)C1 ZINC000310944244 411298877 /nfs/dbraw/zinc/29/88/77/411298877.db2.gz KLRXEEBCBIGMKG-OAHLLOKOSA-N 2 1 246.354 1.920 20 0 BDADMP CC(C)C1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000656699589 411324326 /nfs/dbraw/zinc/32/43/26/411324326.db2.gz MMKBRYHNHNXOII-ZDUSSCGKSA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)C1C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000656699589 411324328 /nfs/dbraw/zinc/32/43/28/411324328.db2.gz MMKBRYHNHNXOII-ZDUSSCGKSA-N 2 1 228.380 1.275 20 0 BDADMP FCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655769445 411251597 /nfs/dbraw/zinc/25/15/97/411251597.db2.gz IHRIQBPAUIZWIL-ZDUSSCGKSA-N 2 1 244.354 1.579 20 0 BDADMP CC(C)(C)[C@H]([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656441314 411260491 /nfs/dbraw/zinc/26/04/91/411260491.db2.gz YRMCAQGERUWIKO-LLVKDONJSA-N 2 1 231.303 1.708 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000660145530 411260810 /nfs/dbraw/zinc/26/08/10/411260810.db2.gz XFOIVUOPMHSMKQ-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CC(C)(C)N)CC[NH2+]1 ZINC000656784632 411361384 /nfs/dbraw/zinc/36/13/84/411361384.db2.gz FZVZDASOAUKABQ-WDEREUQCSA-N 3 1 213.369 1.044 20 0 BDADMP C[C@H]1C[C@H](CN(C)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000656784632 411361390 /nfs/dbraw/zinc/36/13/90/411361390.db2.gz FZVZDASOAUKABQ-WDEREUQCSA-N 3 1 213.369 1.044 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000656708386 411334880 /nfs/dbraw/zinc/33/48/80/411334880.db2.gz CVHPNFVXZCTFDF-IGQOVBAYSA-N 2 1 240.391 1.325 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000653763486 411344223 /nfs/dbraw/zinc/34/42/23/411344223.db2.gz LZDFPVCYYDQNOS-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000653763486 411344226 /nfs/dbraw/zinc/34/42/26/411344226.db2.gz LZDFPVCYYDQNOS-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000653763486 411344229 /nfs/dbraw/zinc/34/42/29/411344229.db2.gz LZDFPVCYYDQNOS-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC000335310701 168026522 /nfs/dbraw/zinc/02/65/22/168026522.db2.gz TWEIABTXAOEFKB-NWDGAFQWSA-N 2 1 208.349 1.860 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC000335310701 168026524 /nfs/dbraw/zinc/02/65/24/168026524.db2.gz TWEIABTXAOEFKB-NWDGAFQWSA-N 2 1 208.349 1.860 20 0 BDADMP CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1ccnc1 ZINC000362237975 168071363 /nfs/dbraw/zinc/07/13/63/168071363.db2.gz PSHVZYCQVBGKME-PBWFPOADSA-N 2 1 249.358 1.651 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CO1 ZINC000657305976 411456921 /nfs/dbraw/zinc/45/69/21/411456921.db2.gz WNUKFRYWAQZTLN-OLZOCXBDSA-N 2 1 228.380 1.874 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404370282 411392685 /nfs/dbraw/zinc/39/26/85/411392685.db2.gz IRFZZBCRKQBKQG-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CO1 ZINC000657313686 411460810 /nfs/dbraw/zinc/46/08/10/411460810.db2.gz MPPYWACTQBQCJE-ZOBORPQBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccnn2C)[C@H]1CC[NH3+] ZINC000404450935 411397585 /nfs/dbraw/zinc/39/75/85/411397585.db2.gz YPVHEVIDUCALQV-YPMHNXCESA-N 2 1 236.363 1.369 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000404503946 411399417 /nfs/dbraw/zinc/39/94/17/411399417.db2.gz FXKSPTMCYPSHLW-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)CO1 ZINC000657315446 411461268 /nfs/dbraw/zinc/46/12/68/411461268.db2.gz NCJXATCQGSXEBI-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn[nH]c2)C1 ZINC000657182814 411416961 /nfs/dbraw/zinc/41/69/61/411416961.db2.gz ATPHHTVWJXXHRX-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2nc(C)ccc2O)CC[C@@H]1[NH3+] ZINC000122238741 411425120 /nfs/dbraw/zinc/42/51/20/411425120.db2.gz HGQFXWREEWDAME-NEPJUHHUSA-N 2 1 249.358 1.655 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122325769 411428125 /nfs/dbraw/zinc/42/81/25/411428125.db2.gz RGLYGXPXPRZNHJ-GRYCIOLGSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414764749 411445060 /nfs/dbraw/zinc/44/50/60/411445060.db2.gz ZDBFJKMWDDMXTP-VXGBXAGGSA-N 2 1 227.396 1.399 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000657295798 411454602 /nfs/dbraw/zinc/45/46/02/411454602.db2.gz ZJTDEZQOEPZISF-GXTWGEPZSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn2c1CCC2 ZINC000657334998 411471749 /nfs/dbraw/zinc/47/17/49/411471749.db2.gz JMOHIODHQWLAQN-NSHDSACASA-N 2 1 236.363 1.259 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)n1C ZINC000657340688 411473176 /nfs/dbraw/zinc/47/31/76/411473176.db2.gz VEBVBXLULUEOGU-NSHDSACASA-N 2 1 245.330 1.030 20 0 BDADMP CC[C@@H](C)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000655791801 411515050 /nfs/dbraw/zinc/51/50/50/411515050.db2.gz STDJKXROCFMKTF-GFCCVEGCSA-N 2 1 228.380 1.469 20 0 BDADMP COC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000659983459 411518298 /nfs/dbraw/zinc/51/82/98/411518298.db2.gz MOPOQBXOORGKFO-XQQFMLRXSA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000659983459 411518299 /nfs/dbraw/zinc/51/82/99/411518299.db2.gz MOPOQBXOORGKFO-XQQFMLRXSA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000659983459 411518302 /nfs/dbraw/zinc/51/83/02/411518302.db2.gz MOPOQBXOORGKFO-XQQFMLRXSA-N 2 1 244.379 1.062 20 0 BDADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000659983459 411518304 /nfs/dbraw/zinc/51/83/04/411518304.db2.gz MOPOQBXOORGKFO-XQQFMLRXSA-N 2 1 244.379 1.062 20 0 BDADMP C[C@@H](C[NH2+]Cc1cnc2n1CCC2)C[NH+](C)C ZINC000657472775 411523432 /nfs/dbraw/zinc/52/34/32/411523432.db2.gz ZOFMKEDLFBLAEF-NSHDSACASA-N 2 1 236.363 1.117 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000309186126 170008238 /nfs/dbraw/zinc/00/82/38/170008238.db2.gz BHZDAIMCYRTYIR-STQMWFEESA-N 3 1 227.396 1.435 20 0 BDADMP CCN1CC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000309186126 170008239 /nfs/dbraw/zinc/00/82/39/170008239.db2.gz BHZDAIMCYRTYIR-STQMWFEESA-N 2 1 227.396 1.435 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484197 170008517 /nfs/dbraw/zinc/00/85/17/170008517.db2.gz PXYBXPAPGHKADS-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(C)COC2)C[C@@H]1C ZINC000336713677 170009947 /nfs/dbraw/zinc/00/99/47/170009947.db2.gz STKFNAXWAJJEOL-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(C)COC2)C[C@@H]1C ZINC000336713677 170009948 /nfs/dbraw/zinc/00/99/48/170009948.db2.gz STKFNAXWAJJEOL-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(C)COC2)C[C@@H]1C ZINC000336713677 170009949 /nfs/dbraw/zinc/00/99/49/170009949.db2.gz STKFNAXWAJJEOL-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCO)C[C@@H]1C ZINC000336714547 170010028 /nfs/dbraw/zinc/01/00/28/170010028.db2.gz UAEJZQYNOVVHIB-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCO)C[C@@H]1C ZINC000336714547 170010029 /nfs/dbraw/zinc/01/00/29/170010029.db2.gz UAEJZQYNOVVHIB-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCO)C[C@@H]1C ZINC000336714547 170010030 /nfs/dbraw/zinc/01/00/30/170010030.db2.gz UAEJZQYNOVVHIB-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)O)C[C@H]1C ZINC000360453861 170010043 /nfs/dbraw/zinc/01/00/43/170010043.db2.gz GWXFADIKJIWVRU-CHWSQXEVSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)O)C[C@H]1C ZINC000360453861 170010044 /nfs/dbraw/zinc/01/00/44/170010044.db2.gz GWXFADIKJIWVRU-CHWSQXEVSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCOC(C)C)[C@H](C)C1 ZINC000120531861 170011740 /nfs/dbraw/zinc/01/17/40/170011740.db2.gz DUSBSCPYPNTXIF-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000045035567 170016874 /nfs/dbraw/zinc/01/68/74/170016874.db2.gz FVRNVEJMAWKLLJ-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)O)C[C@@H]1C ZINC000336662608 170017807 /nfs/dbraw/zinc/01/78/07/170017807.db2.gz CMAVVFZOUFKLPV-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)O)C[C@@H]1C ZINC000336662608 170017809 /nfs/dbraw/zinc/01/78/09/170017809.db2.gz CMAVVFZOUFKLPV-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)O)C[C@@H]1C ZINC000336662608 170017810 /nfs/dbraw/zinc/01/78/10/170017810.db2.gz CMAVVFZOUFKLPV-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCO)C[C@@H]1C ZINC000336714545 170018226 /nfs/dbraw/zinc/01/82/26/170018226.db2.gz UAEJZQYNOVVHIB-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCO)C[C@@H]1C ZINC000336714545 170018227 /nfs/dbraw/zinc/01/82/27/170018227.db2.gz UAEJZQYNOVVHIB-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCO)C[C@@H]1C ZINC000336714545 170018228 /nfs/dbraw/zinc/01/82/28/170018228.db2.gz UAEJZQYNOVVHIB-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)O)C[C@@H]1C ZINC000336691408 170018857 /nfs/dbraw/zinc/01/88/57/170018857.db2.gz LNZMECABCNOBID-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)O)C[C@@H]1C ZINC000336691408 170018858 /nfs/dbraw/zinc/01/88/58/170018858.db2.gz LNZMECABCNOBID-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)O)C[C@@H]1C ZINC000336691408 170018859 /nfs/dbraw/zinc/01/88/59/170018859.db2.gz LNZMECABCNOBID-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H](C)O)C[C@H]1C ZINC000336721338 170018911 /nfs/dbraw/zinc/01/89/11/170018911.db2.gz SODCCDZGGYBWSU-MCIONIFRSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@@H](C)O)C[C@H]1C ZINC000336721338 170018912 /nfs/dbraw/zinc/01/89/12/170018912.db2.gz SODCCDZGGYBWSU-MCIONIFRSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@@H](C)O)C[C@H]1C ZINC000336721338 170018913 /nfs/dbraw/zinc/01/89/13/170018913.db2.gz SODCCDZGGYBWSU-MCIONIFRSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOC)C[C@H]1C ZINC000336684807 170019599 /nfs/dbraw/zinc/01/95/99/170019599.db2.gz UXGVMTUQIPDPDF-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOC)C[C@H]1C ZINC000336684807 170019600 /nfs/dbraw/zinc/01/96/00/170019600.db2.gz UXGVMTUQIPDPDF-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOC)C[C@H]1C ZINC000336684807 170019601 /nfs/dbraw/zinc/01/96/01/170019601.db2.gz UXGVMTUQIPDPDF-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOC)C[C@@H]1C ZINC000336684809 170019944 /nfs/dbraw/zinc/01/99/44/170019944.db2.gz UXGVMTUQIPDPDF-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOC)C[C@@H]1C ZINC000336684809 170019945 /nfs/dbraw/zinc/01/99/45/170019945.db2.gz UXGVMTUQIPDPDF-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOC)C[C@@H]1C ZINC000336684809 170019947 /nfs/dbraw/zinc/01/99/47/170019947.db2.gz UXGVMTUQIPDPDF-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(C)(C)[NH3+] ZINC000334616541 170023890 /nfs/dbraw/zinc/02/38/90/170023890.db2.gz REPLDZSFNQNRRN-NEPJUHHUSA-N 2 1 225.380 1.282 20 0 BDADMP COC1CC(CC[NH2+]C2CC[NH+](C)CC2)C1 ZINC000657526350 411542913 /nfs/dbraw/zinc/54/29/13/411542913.db2.gz BMHZYFQTDSXAJF-UHFFFAOYSA-N 2 1 226.364 1.485 20 0 BDADMP CCOC(=O)CC[N@@H+](C)CCCn1ccnc1 ZINC000050067242 170203756 /nfs/dbraw/zinc/20/37/56/170203756.db2.gz AHSDIEYIKOMAEZ-UHFFFAOYSA-N 2 1 239.319 1.158 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000343926450 170352152 /nfs/dbraw/zinc/35/21/52/170352152.db2.gz IZSRVRLMSYLRBF-QWHCGFSZSA-N 2 1 242.407 1.979 20 0 BDADMP C[NH+]1CCC([NH2+]CCC(C)(C)F)CC1 ZINC000657644732 411568310 /nfs/dbraw/zinc/56/83/10/411568310.db2.gz UEOXGPCXCHMBAD-UHFFFAOYSA-N 2 1 202.317 1.808 20 0 BDADMP CCOCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309305376 170381000 /nfs/dbraw/zinc/38/10/00/170381000.db2.gz ZNBVSJBLSUGION-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336674136 170391500 /nfs/dbraw/zinc/39/15/00/170391500.db2.gz LJIZDFIDAALLKC-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336674136 170391502 /nfs/dbraw/zinc/39/15/02/170391502.db2.gz LJIZDFIDAALLKC-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336674136 170391503 /nfs/dbraw/zinc/39/15/03/170391503.db2.gz LJIZDFIDAALLKC-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@H](C[NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000657768372 411593925 /nfs/dbraw/zinc/59/39/25/411593925.db2.gz ZZAAMFGJCQMFJW-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657824310 411607753 /nfs/dbraw/zinc/60/77/53/411607753.db2.gz GHMFHLYKYCUBSO-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657841121 411610111 /nfs/dbraw/zinc/61/01/11/411610111.db2.gz NKCACWCEKYUOGZ-STQMWFEESA-N 2 1 248.374 1.649 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657841121 411610112 /nfs/dbraw/zinc/61/01/12/411610112.db2.gz NKCACWCEKYUOGZ-STQMWFEESA-N 2 1 248.374 1.649 20 0 BDADMP CCOCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661175 411615235 /nfs/dbraw/zinc/61/52/35/411615235.db2.gz ZBBKFFSVRREFNL-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661175 411615237 /nfs/dbraw/zinc/61/52/37/411615237.db2.gz ZBBKFFSVRREFNL-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661175 411615239 /nfs/dbraw/zinc/61/52/39/411615239.db2.gz ZBBKFFSVRREFNL-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CC[C@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660663668 411616067 /nfs/dbraw/zinc/61/60/67/411616067.db2.gz OUCXPZJPQSKLDH-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000660663668 411616068 /nfs/dbraw/zinc/61/60/68/411616068.db2.gz OUCXPZJPQSKLDH-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000660663668 411616069 /nfs/dbraw/zinc/61/60/69/411616069.db2.gz OUCXPZJPQSKLDH-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H](C)CCC1(C)C ZINC000660754538 411621272 /nfs/dbraw/zinc/62/12/72/411621272.db2.gz INDUYACNACKHLR-QWHCGFSZSA-N 2 1 242.407 1.950 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(CO)cc1 ZINC000133209567 411656050 /nfs/dbraw/zinc/65/60/50/411656050.db2.gz VBDMKEDMQZKOBO-UHFFFAOYSA-N 2 1 236.359 1.562 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCOCCF)[C@@H]2CCC[C@@H]21 ZINC000663459425 411662392 /nfs/dbraw/zinc/66/23/92/411662392.db2.gz CEJQNCUAHUTXNH-AVGNSLFASA-N 2 1 244.354 1.435 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000663514930 411697048 /nfs/dbraw/zinc/69/70/48/411697048.db2.gz WNHCAZNTEOOCFC-WHXUTIOJSA-N 2 1 200.326 1.142 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661231415 411734481 /nfs/dbraw/zinc/73/44/81/411734481.db2.gz MMYQEDDOLROBRS-WCQYABFASA-N 2 1 242.407 1.856 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661231415 411734487 /nfs/dbraw/zinc/73/44/87/411734487.db2.gz MMYQEDDOLROBRS-WCQYABFASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000420915904 411767389 /nfs/dbraw/zinc/76/73/89/411767389.db2.gz GLMVOKLTTOCMLL-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723870 411860369 /nfs/dbraw/zinc/86/03/69/411860369.db2.gz WWJOMTFTBYNOCG-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723870 411860371 /nfs/dbraw/zinc/86/03/71/411860371.db2.gz WWJOMTFTBYNOCG-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661827170 411892148 /nfs/dbraw/zinc/89/21/48/411892148.db2.gz MFLXCSVAMDRQNV-NEPJUHHUSA-N 2 1 235.331 1.085 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662029426 411945054 /nfs/dbraw/zinc/94/50/54/411945054.db2.gz GEANJLYMZOPNPS-QWHCGFSZSA-N 2 1 235.331 1.160 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662029426 411945059 /nfs/dbraw/zinc/94/50/59/411945059.db2.gz GEANJLYMZOPNPS-QWHCGFSZSA-N 2 1 235.331 1.160 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+])C1CCC1 ZINC000662243413 412039788 /nfs/dbraw/zinc/03/97/88/412039788.db2.gz AGVYSEYWXJFPPA-IACUBPJLSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+])C1CCC1 ZINC000662243413 412039790 /nfs/dbraw/zinc/03/97/90/412039790.db2.gz AGVYSEYWXJFPPA-IACUBPJLSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662243929 412040137 /nfs/dbraw/zinc/04/01/37/412040137.db2.gz DINHJWUPBZSFKB-GARJFASQSA-N 2 1 248.317 1.470 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254664 412049047 /nfs/dbraw/zinc/04/90/47/412049047.db2.gz SCQYDFNTPGUGDV-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662256971 412051328 /nfs/dbraw/zinc/05/13/28/412051328.db2.gz KVIBUHXAYIEEIV-AGIUHOORSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662256972 412051612 /nfs/dbraw/zinc/05/16/12/412051612.db2.gz KVIBUHXAYIEEIV-FRRDWIJNSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)C1CCC1 ZINC000662264732 412056672 /nfs/dbraw/zinc/05/66/72/412056672.db2.gz JZZIBWUBGCERCY-NTZNESFSSA-N 2 1 226.364 1.471 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nc(C)n1 ZINC000662271856 412062100 /nfs/dbraw/zinc/06/21/00/412062100.db2.gz JNZZJASJDRNHNT-CYBMUJFWSA-N 2 1 248.374 1.654 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000662272536 412062411 /nfs/dbraw/zinc/06/24/11/412062411.db2.gz ONYILVYKVPASHE-GFCCVEGCSA-N 2 1 223.320 1.408 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000662272536 412062415 /nfs/dbraw/zinc/06/24/15/412062415.db2.gz ONYILVYKVPASHE-GFCCVEGCSA-N 2 1 223.320 1.408 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)nc(C)n1 ZINC000662271894 412062944 /nfs/dbraw/zinc/06/29/44/412062944.db2.gz JUBCLZUUZCZLSK-CYBMUJFWSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)nc(C)n1 ZINC000662271894 412062947 /nfs/dbraw/zinc/06/29/47/412062947.db2.gz JUBCLZUUZCZLSK-CYBMUJFWSA-N 2 1 234.347 1.264 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000662280175 412071675 /nfs/dbraw/zinc/07/16/75/412071675.db2.gz DDQOICPYGXAGEG-RGDJUOJXSA-N 2 1 222.376 1.949 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000662273487 412065409 /nfs/dbraw/zinc/06/54/09/412065409.db2.gz NMAXUPLLENRMFJ-OLZOCXBDSA-N 2 1 249.358 1.805 20 0 BDADMP C1=CCC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000662273917 412066048 /nfs/dbraw/zinc/06/60/48/412066048.db2.gz QSEBVHZKPWCANP-OKILXGFUSA-N 2 1 220.360 1.884 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCC1 ZINC000662277830 412069247 /nfs/dbraw/zinc/06/92/47/412069247.db2.gz XTEQCWCKVWLWOU-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCC1 ZINC000662277830 412069265 /nfs/dbraw/zinc/06/92/65/412069265.db2.gz XTEQCWCKVWLWOU-CHWSQXEVSA-N 2 1 208.349 1.860 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ncn1 ZINC000662286622 412077214 /nfs/dbraw/zinc/07/72/14/412077214.db2.gz SFXJATJYABIPKI-RISCZKNCSA-N 2 1 248.374 1.734 20 0 BDADMP C[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000662282753 412073536 /nfs/dbraw/zinc/07/35/36/412073536.db2.gz QJKQRUWKKLYZLP-MXWKQRLJSA-N 2 1 248.317 1.327 20 0 BDADMP CC[C@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336657379 171273888 /nfs/dbraw/zinc/27/38/88/171273888.db2.gz LVVLFYGGMIKREI-AAEUAGOBSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336657379 171273889 /nfs/dbraw/zinc/27/38/89/171273889.db2.gz LVVLFYGGMIKREI-AAEUAGOBSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336657379 171273890 /nfs/dbraw/zinc/27/38/90/171273890.db2.gz LVVLFYGGMIKREI-AAEUAGOBSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336657379 171273891 /nfs/dbraw/zinc/27/38/91/171273891.db2.gz LVVLFYGGMIKREI-AAEUAGOBSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1CCCOC1 ZINC000300358489 171306698 /nfs/dbraw/zinc/30/66/98/171306698.db2.gz HQTHCMPIFZRKHN-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1CCCOC1 ZINC000300358489 171306699 /nfs/dbraw/zinc/30/66/99/171306699.db2.gz HQTHCMPIFZRKHN-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP COCCCCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292204 412081758 /nfs/dbraw/zinc/08/17/58/412081758.db2.gz DOGLFMKQWFPABM-UHFFFAOYSA-N 2 1 202.342 1.472 20 0 BDADMP OCC[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662299771 412086941 /nfs/dbraw/zinc/08/69/41/412086941.db2.gz XAUMSMUGWZQIFP-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662315658 412096459 /nfs/dbraw/zinc/09/64/59/412096459.db2.gz RQAXXZCWHDWCGD-MNOVXSKESA-N 2 1 200.326 1.095 20 0 BDADMP CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321092 412101270 /nfs/dbraw/zinc/10/12/70/412101270.db2.gz GTLOYVMQEUVINA-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC2CC2)CCO1 ZINC000662320125 412101293 /nfs/dbraw/zinc/10/12/93/412101293.db2.gz QDMOLJIJPBBNDE-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CC1(N)CCCC1 ZINC000665246389 412190436 /nfs/dbraw/zinc/19/04/36/412190436.db2.gz DCKGOSXAIQYVQJ-NSHDSACASA-N 2 1 213.369 1.365 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665249596 412195569 /nfs/dbraw/zinc/19/55/69/412195569.db2.gz UAQLERXIABXKGL-LBPRGKRZSA-N 2 1 248.374 1.659 20 0 BDADMP COC1CC(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000665230004 412168863 /nfs/dbraw/zinc/16/88/63/412168863.db2.gz HJBITECZGZVKJC-WTIISPKJSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232453 412170365 /nfs/dbraw/zinc/17/03/65/412170365.db2.gz NCNVUKMVSIXTQA-DYEKYZERSA-N 2 1 233.359 1.915 20 0 BDADMP Cc1cncc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000665274106 412218122 /nfs/dbraw/zinc/21/81/22/412218122.db2.gz JYVGDIATXGDXRF-YPMHNXCESA-N 2 1 234.347 1.058 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cnccc1N ZINC000665281368 412226194 /nfs/dbraw/zinc/22/61/94/412226194.db2.gz AJVUNRNIVBBOBL-ZYHUDNBSSA-N 2 1 236.363 1.518 20 0 BDADMP C[C@H]([NH2+]CCCc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000665283728 412229166 /nfs/dbraw/zinc/22/91/66/412229166.db2.gz SZBXSPSHMCZIQE-AAEUAGOBSA-N 2 1 222.332 1.942 20 0 BDADMP COc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1C ZINC000665294928 412240591 /nfs/dbraw/zinc/24/05/91/412240591.db2.gz YTDUYKJQNXOULG-STQMWFEESA-N 2 1 234.343 1.973 20 0 BDADMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1C ZINC000665294925 412240727 /nfs/dbraw/zinc/24/07/27/412240727.db2.gz YTDUYKJQNXOULG-CHWSQXEVSA-N 2 1 234.343 1.973 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000333321665 172020966 /nfs/dbraw/zinc/02/09/66/172020966.db2.gz UPTNIQVAUVJJKH-JQWIXIFHSA-N 2 1 237.347 1.715 20 0 BDADMP CCn1cc(CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cn1 ZINC000353959351 172173513 /nfs/dbraw/zinc/17/35/13/172173513.db2.gz UJBGKFXXLGSRHH-SMDDNHRTSA-N 2 1 248.374 1.475 20 0 BDADMP CCn1cc(CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cn1 ZINC000353959351 172173515 /nfs/dbraw/zinc/17/35/15/172173515.db2.gz UJBGKFXXLGSRHH-SMDDNHRTSA-N 2 1 248.374 1.475 20 0 BDADMP CC[C@H](C(N)=O)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335396972 487625407 /nfs/dbraw/zinc/62/54/07/487625407.db2.gz CKQTVBHPYAYITA-ZYHUDNBSSA-N 2 1 225.336 1.376 20 0 BDADMP CC[C@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335396972 487625412 /nfs/dbraw/zinc/62/54/12/487625412.db2.gz CKQTVBHPYAYITA-ZYHUDNBSSA-N 2 1 225.336 1.376 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C(C)(C)C1 ZINC000335310118 173005439 /nfs/dbraw/zinc/00/54/39/173005439.db2.gz DXRDAUSNKVIDHJ-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000335310118 173005440 /nfs/dbraw/zinc/00/54/40/173005440.db2.gz DXRDAUSNKVIDHJ-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000335310118 173005442 /nfs/dbraw/zinc/00/54/42/173005442.db2.gz DXRDAUSNKVIDHJ-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CCO[C@H]2CCC[C@H]21 ZINC000336683387 173026692 /nfs/dbraw/zinc/02/66/92/173026692.db2.gz DSANTGNXZGMPHP-MCIONIFRSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C(C)(C)C1 ZINC000336250372 173028258 /nfs/dbraw/zinc/02/82/58/173028258.db2.gz LGXMCUYQHYORPA-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000336250372 173028260 /nfs/dbraw/zinc/02/82/60/173028260.db2.gz LGXMCUYQHYORPA-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000336250372 173028261 /nfs/dbraw/zinc/02/82/61/173028261.db2.gz LGXMCUYQHYORPA-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000336704726 173042953 /nfs/dbraw/zinc/04/29/53/173042953.db2.gz NNYGKVNGOCOASV-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C[C@H]1CCCOC1)C[C@H]1CCC[N@H+](C)C1 ZINC000336704726 173042956 /nfs/dbraw/zinc/04/29/56/173042956.db2.gz NNYGKVNGOCOASV-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C[C@H]1CCCOC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336704726 173042959 /nfs/dbraw/zinc/04/29/59/173042959.db2.gz NNYGKVNGOCOASV-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]12CCOC2 ZINC000341977901 173049807 /nfs/dbraw/zinc/04/98/07/173049807.db2.gz WRFVLKWOLIHLJA-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@]12CCOC2 ZINC000341977901 173049809 /nfs/dbraw/zinc/04/98/09/173049809.db2.gz WRFVLKWOLIHLJA-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@]12CCOC2 ZINC000341977901 173049810 /nfs/dbraw/zinc/04/98/10/173049810.db2.gz WRFVLKWOLIHLJA-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCSC3)[C@H]2C1 ZINC000366032283 173132350 /nfs/dbraw/zinc/13/23/50/173132350.db2.gz VUIJXBVQTWYCDE-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CCSC3)[C@H]2C1 ZINC000366032283 173132353 /nfs/dbraw/zinc/13/23/53/173132353.db2.gz VUIJXBVQTWYCDE-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCSC3)[C@H]2C1 ZINC000366032283 173132348 /nfs/dbraw/zinc/13/23/48/173132348.db2.gz VUIJXBVQTWYCDE-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CCSC3)[C@H]2C1 ZINC000366032283 173132355 /nfs/dbraw/zinc/13/23/55/173132355.db2.gz VUIJXBVQTWYCDE-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCC=CO3)C2)C1 ZINC000366478542 173137683 /nfs/dbraw/zinc/13/76/83/173137683.db2.gz FILJRSMAPIIFIJ-UONOGXRCSA-N 2 1 236.359 1.707 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCC=CO3)C2)C1 ZINC000366478542 173137681 /nfs/dbraw/zinc/13/76/81/173137681.db2.gz FILJRSMAPIIFIJ-UONOGXRCSA-N 2 1 236.359 1.707 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC=CO3)C2)C1 ZINC000366478542 173137686 /nfs/dbraw/zinc/13/76/86/173137686.db2.gz FILJRSMAPIIFIJ-UONOGXRCSA-N 2 1 236.359 1.707 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@H]2CCC[C@@H]21 ZINC000368616481 173152008 /nfs/dbraw/zinc/15/20/08/173152008.db2.gz SZRJXOICMFQJPW-AGIUHOORSA-N 2 1 238.375 1.364 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367616170 173152406 /nfs/dbraw/zinc/15/24/06/173152406.db2.gz LJMKKGUEXORFJX-IHRRRGAJSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000358258393 173163949 /nfs/dbraw/zinc/16/39/49/173163949.db2.gz TXYAKFLCRURDRE-IHRRRGAJSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000358258393 173163951 /nfs/dbraw/zinc/16/39/51/173163951.db2.gz TXYAKFLCRURDRE-IHRRRGAJSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@H]3CCCO3)C2)C1 ZINC000336510790 173168370 /nfs/dbraw/zinc/16/83/70/173168370.db2.gz MMXNXYPOJLYYHC-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@H]3CCCO3)C2)C1 ZINC000336510790 173168371 /nfs/dbraw/zinc/16/83/71/173168371.db2.gz MMXNXYPOJLYYHC-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@H]3CCCO3)C2)C1 ZINC000336510790 173168373 /nfs/dbraw/zinc/16/83/73/173168373.db2.gz MMXNXYPOJLYYHC-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](C[Si](C)(C)C)C2)C1 ZINC000366479921 173168728 /nfs/dbraw/zinc/16/87/28/173168728.db2.gz HWNARSKFGMDTBY-LBPRGKRZSA-N 2 1 226.440 1.891 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[Si](C)(C)C)C2)C1 ZINC000366479921 173168731 /nfs/dbraw/zinc/16/87/31/173168731.db2.gz HWNARSKFGMDTBY-LBPRGKRZSA-N 2 1 226.440 1.891 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[Si](C)(C)C)C2)C1 ZINC000366479921 173168733 /nfs/dbraw/zinc/16/87/33/173168733.db2.gz HWNARSKFGMDTBY-LBPRGKRZSA-N 2 1 226.440 1.891 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[Si](C)(C)C)C2)C1 ZINC000366479921 173168735 /nfs/dbraw/zinc/16/87/35/173168735.db2.gz HWNARSKFGMDTBY-LBPRGKRZSA-N 2 1 226.440 1.891 20 0 BDADMP C[NH2+]C[C@@H](C)CNc1[nH+]c2ccccc2n1C ZINC000129529795 173364275 /nfs/dbraw/zinc/36/42/75/173364275.db2.gz CMEQZGRXMJOFDZ-SNVBAGLBSA-N 2 1 232.331 1.841 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359207435 173368864 /nfs/dbraw/zinc/36/88/64/173368864.db2.gz BBCOEAQWAWAVKA-ZDUSSCGKSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359207435 173368865 /nfs/dbraw/zinc/36/88/65/173368865.db2.gz BBCOEAQWAWAVKA-ZDUSSCGKSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000161839005 173378815 /nfs/dbraw/zinc/37/88/15/173378815.db2.gz FLTNBNWBHYZKEP-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000161839005 173378816 /nfs/dbraw/zinc/37/88/16/173378816.db2.gz FLTNBNWBHYZKEP-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ncc(CN2CC[N@H+]3CCCC[C@@H]3C2)n1C ZINC000667562601 487626908 /nfs/dbraw/zinc/62/69/08/487626908.db2.gz HAHSIUYDAFZCLQ-CYBMUJFWSA-N 2 1 248.374 1.399 20 0 BDADMP Cc1[nH+]cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)n1C ZINC000667562601 487626910 /nfs/dbraw/zinc/62/69/10/487626910.db2.gz HAHSIUYDAFZCLQ-CYBMUJFWSA-N 2 1 248.374 1.399 20 0 BDADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000310391129 174105618 /nfs/dbraw/zinc/10/56/18/174105618.db2.gz IYCNATFZWQDWAV-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000310391130 174106665 /nfs/dbraw/zinc/10/66/65/174106665.db2.gz IYCNATFZWQDWAV-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000356363523 174111099 /nfs/dbraw/zinc/11/10/99/174111099.db2.gz QXVNFGQFXADHDQ-CHWSQXEVSA-N 2 1 238.375 1.772 20 0 BDADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000355033981 174143267 /nfs/dbraw/zinc/14/32/67/174143267.db2.gz FRWLXDUEGKHVHW-QWHCGFSZSA-N 2 1 242.407 1.979 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357072308 174177508 /nfs/dbraw/zinc/17/75/08/174177508.db2.gz HDKRAXKPXKFDTA-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP COCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000044657363 174201409 /nfs/dbraw/zinc/20/14/09/174201409.db2.gz RMZBIJVLGHGLDW-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP COCCCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000336692410 174203425 /nfs/dbraw/zinc/20/34/25/174203425.db2.gz QGYAPOUPQMOBCQ-LLVKDONJSA-N 2 1 202.342 1.376 20 0 BDADMP COCCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000082666894 174221109 /nfs/dbraw/zinc/22/11/09/174221109.db2.gz CXRMSEUIIWKVGU-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP COCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123216040 174221254 /nfs/dbraw/zinc/22/12/54/174221254.db2.gz ICGBLZSNXFKQFZ-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123216040 174221257 /nfs/dbraw/zinc/22/12/57/174221257.db2.gz ICGBLZSNXFKQFZ-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123216040 174221260 /nfs/dbraw/zinc/22/12/60/174221260.db2.gz ICGBLZSNXFKQFZ-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123216040 174221262 /nfs/dbraw/zinc/22/12/62/174221262.db2.gz ICGBLZSNXFKQFZ-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP COCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036908256 174250498 /nfs/dbraw/zinc/25/04/98/174250498.db2.gz RUCONMVFPSLODG-GRYCIOLGSA-N 2 1 214.353 1.341 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC000340465663 174305489 /nfs/dbraw/zinc/30/54/89/174305489.db2.gz MLUWSXGLOJQIEM-LLVKDONJSA-N 2 1 232.343 1.435 20 0 BDADMP COCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000081713384 174383068 /nfs/dbraw/zinc/38/30/68/174383068.db2.gz IWQDWQGLCODYGF-SNVBAGLBSA-N 2 1 211.309 1.206 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000076693051 175091086 /nfs/dbraw/zinc/09/10/86/175091086.db2.gz AKBDHWBLRXFKIP-CQSZACIVSA-N 2 1 248.370 1.908 20 0 BDADMP COc1ccc(OCC[N@@H+](C)CCC[NH3+])cc1 ZINC000049829378 175172951 /nfs/dbraw/zinc/17/29/51/175172951.db2.gz HSODRQHVEPGFEH-UHFFFAOYSA-N 2 1 238.331 1.355 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000038077990 175260565 /nfs/dbraw/zinc/26/05/65/175260565.db2.gz LWVMXLSHFZGOLM-LBPRGKRZSA-N 2 1 220.316 1.476 20 0 BDADMP COc1cccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000193598195 175261926 /nfs/dbraw/zinc/26/19/26/175261926.db2.gz DZWLHSQKDIYYNI-TXEJJXNPSA-N 2 1 247.342 1.084 20 0 BDADMP COc1ccccc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000075189269 175323774 /nfs/dbraw/zinc/32/37/74/175323774.db2.gz YQGPRRHBGYJSQE-UHFFFAOYSA-N 2 1 248.370 1.922 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000234875161 175327661 /nfs/dbraw/zinc/32/76/61/175327661.db2.gz KIQGNDWYSZNMKI-AWEZNQCLSA-N 2 1 234.343 1.866 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH3+] ZINC000237668538 176070816 /nfs/dbraw/zinc/07/08/16/176070816.db2.gz XPQFUZMOIZDJDC-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309761058 176088668 /nfs/dbraw/zinc/08/86/68/176088668.db2.gz ISYGMNCGHQAWDR-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309761058 176088670 /nfs/dbraw/zinc/08/86/70/176088670.db2.gz ISYGMNCGHQAWDR-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310121001 176116488 /nfs/dbraw/zinc/11/64/88/176116488.db2.gz VAQUBKVVELAWMZ-YRGRVCCFSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310121001 176116490 /nfs/dbraw/zinc/11/64/90/176116490.db2.gz VAQUBKVVELAWMZ-YRGRVCCFSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000276627365 176132072 /nfs/dbraw/zinc/13/20/72/176132072.db2.gz ITPIUJGWLMKYRH-PWSUYJOCSA-N 2 1 207.321 1.741 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC000361756817 176233957 /nfs/dbraw/zinc/23/39/57/176233957.db2.gz OVPLWDSXVZKTEO-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC000361756817 176233958 /nfs/dbraw/zinc/23/39/58/176233958.db2.gz OVPLWDSXVZKTEO-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000358294155 176268417 /nfs/dbraw/zinc/26/84/17/176268417.db2.gz JCEBHACSALCCAP-OLZOCXBDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358077748 176268625 /nfs/dbraw/zinc/26/86/25/176268625.db2.gz CAPDZILEYFGOKQ-DOMZBBRYSA-N 2 1 248.370 1.865 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000305173920 176268937 /nfs/dbraw/zinc/26/89/37/176268937.db2.gz UUSNHWVYFAGYAB-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000336678285 176268942 /nfs/dbraw/zinc/26/89/42/176268942.db2.gz BPKKZIWCBDMJJN-XQHKEYJVSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000361969903 176270767 /nfs/dbraw/zinc/27/07/67/176270767.db2.gz DNCXQFAJILYODV-RAIGVLPGSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000361969903 176270769 /nfs/dbraw/zinc/27/07/69/176270769.db2.gz DNCXQFAJILYODV-RAIGVLPGSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000045663922 176279429 /nfs/dbraw/zinc/27/94/29/176279429.db2.gz SWGJRMYSHFCPFX-MGPQQGTHSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000045663922 176279431 /nfs/dbraw/zinc/27/94/31/176279431.db2.gz SWGJRMYSHFCPFX-MGPQQGTHSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000361401052 176280328 /nfs/dbraw/zinc/28/03/28/176280328.db2.gz UYLGNUZIYYVCEN-AAVRWANBSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000051919612 176292351 /nfs/dbraw/zinc/29/23/51/176292351.db2.gz OEKOXZOGQCYOCW-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000045693923 176297294 /nfs/dbraw/zinc/29/72/94/176297294.db2.gz LYMMEJGXADDUSF-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000045693923 176297295 /nfs/dbraw/zinc/29/72/95/176297295.db2.gz LYMMEJGXADDUSF-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC[C@H]1[NH3+] ZINC000336537752 176304058 /nfs/dbraw/zinc/30/40/58/176304058.db2.gz IEBAYBHRRZGWPX-ZWNOBZJWSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccsc1 ZINC000126717528 176367637 /nfs/dbraw/zinc/36/76/37/176367637.db2.gz GYPUCNSCKUJHPE-KOLCDFICSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(F)(F)F ZINC000123536206 176368023 /nfs/dbraw/zinc/36/80/23/176368023.db2.gz GSMBCXBVANFBCU-SFYZADRCSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1 ZINC000122305116 176368153 /nfs/dbraw/zinc/36/81/53/176368153.db2.gz FEYHLHVXAXJXNO-PWSUYJOCSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccnc1 ZINC000049712453 176372014 /nfs/dbraw/zinc/37/20/14/176372014.db2.gz GUBKNOPREMAFPC-PWSUYJOCSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccnc1 ZINC000049712453 176372017 /nfs/dbraw/zinc/37/20/17/176372017.db2.gz GUBKNOPREMAFPC-PWSUYJOCSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(F)F)CC[N@@H+]1C ZINC000336730857 176378707 /nfs/dbraw/zinc/37/87/07/176378707.db2.gz DYTZCDMEKXALPZ-UTLUCORTSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(F)F)CC[N@H+]1C ZINC000336730857 176378709 /nfs/dbraw/zinc/37/87/09/176378709.db2.gz DYTZCDMEKXALPZ-UTLUCORTSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CSC2(C)C)CC[N@@H+]1C ZINC000336745449 176378838 /nfs/dbraw/zinc/37/88/38/176378838.db2.gz BBUXSSAPENWRQY-VWYCJHECSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CSC2(C)C)CC[N@H+]1C ZINC000336745449 176378839 /nfs/dbraw/zinc/37/88/39/176378839.db2.gz BBUXSSAPENWRQY-VWYCJHECSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CCOC1 ZINC000128595405 176836775 /nfs/dbraw/zinc/83/67/75/176836775.db2.gz XEMWZAOQWCZMSF-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000336714522 177075403 /nfs/dbraw/zinc/07/54/03/177075403.db2.gz PCJAMCARSXPKSC-KGLIPLIRSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336663778 177076748 /nfs/dbraw/zinc/07/67/48/177076748.db2.gz OYBIUMYJBLFIQC-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336663778 177076750 /nfs/dbraw/zinc/07/67/50/177076750.db2.gz OYBIUMYJBLFIQC-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336663778 177076753 /nfs/dbraw/zinc/07/67/53/177076753.db2.gz OYBIUMYJBLFIQC-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336663778 177076755 /nfs/dbraw/zinc/07/67/55/177076755.db2.gz OYBIUMYJBLFIQC-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000305173923 177233769 /nfs/dbraw/zinc/23/37/69/177233769.db2.gz UUSNHWVYFAGYAB-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336749082 177234774 /nfs/dbraw/zinc/23/47/74/177234774.db2.gz UBAFCWIJCZMDGB-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336749082 177234777 /nfs/dbraw/zinc/23/47/77/177234777.db2.gz UBAFCWIJCZMDGB-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCF)CC[C@H]1[NH3+] ZINC000336678101 177248157 /nfs/dbraw/zinc/24/81/57/177248157.db2.gz DWBVGVGAMCJXDS-WDEREUQCSA-N 2 1 202.317 1.795 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CCC1CC[NH2+]CC1 ZINC000336411648 177285735 /nfs/dbraw/zinc/28/57/35/177285735.db2.gz LDUGRUWJVDMFKU-TXEJJXNPSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C)N1CCC1CC[NH2+]CC1 ZINC000336411648 177285737 /nfs/dbraw/zinc/28/57/37/177285737.db2.gz LDUGRUWJVDMFKU-TXEJJXNPSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCCO)CC[N@@H+]1C ZINC000304277529 177326725 /nfs/dbraw/zinc/32/67/25/177326725.db2.gz GHWPWPJTANDPRM-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCCO)CC[N@H+]1C ZINC000304277529 177326727 /nfs/dbraw/zinc/32/67/27/177326727.db2.gz GHWPWPJTANDPRM-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCCCO)CC[NH+]1C ZINC000304277529 177326729 /nfs/dbraw/zinc/32/67/29/177326729.db2.gz GHWPWPJTANDPRM-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCO)CC[NH+]1C ZINC000304277529 177326731 /nfs/dbraw/zinc/32/67/31/177326731.db2.gz GHWPWPJTANDPRM-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CC[NH2+]1 ZINC000334866425 177332995 /nfs/dbraw/zinc/33/29/95/177332995.db2.gz VZAIQOFAFPUSFA-ONGXEEELSA-N 2 1 210.346 1.978 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(O)c1 ZINC000126771293 177361471 /nfs/dbraw/zinc/36/14/71/177361471.db2.gz OWTMIZDXPMWYME-CMPLNLGQSA-N 2 1 220.316 1.561 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccn1 ZINC000122297001 177361678 /nfs/dbraw/zinc/36/16/78/177361678.db2.gz BWUZLEDGYPBGCW-WDEREUQCSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235662274 177362080 /nfs/dbraw/zinc/36/20/80/177362080.db2.gz QPXMERORNCXHHA-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1[N@@H+](CCn2ccnc2)CCOC1(C)C ZINC000336552620 177392689 /nfs/dbraw/zinc/39/26/89/177392689.db2.gz GLWBTWZJWUVPNQ-LLVKDONJSA-N 2 1 223.320 1.382 20 0 BDADMP C[C@H]1N(CCn2ccnc2)CCOC1(C)C ZINC000336552620 177392691 /nfs/dbraw/zinc/39/26/91/177392691.db2.gz GLWBTWZJWUVPNQ-LLVKDONJSA-N 2 1 223.320 1.382 20 0 BDADMP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400328853 226340753 /nfs/dbraw/zinc/34/07/53/226340753.db2.gz BFBZNVQDVJFTDB-SDDRHHMPSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H](NCCCC[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000400360841 226341743 /nfs/dbraw/zinc/34/17/43/226341743.db2.gz DARINEFCCJOTEL-VXGBXAGGSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400426240 226343258 /nfs/dbraw/zinc/34/32/58/226343258.db2.gz YTPLYDCRPYOTPA-TZMCWYRMSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400737831 226350834 /nfs/dbraw/zinc/35/08/34/226350834.db2.gz SBCMXWLZTMSTBV-RVMXOQNASA-N 2 1 225.380 1.199 20 0 BDADMP C[NH2+]CCC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414657887 487661411 /nfs/dbraw/zinc/66/14/11/487661411.db2.gz IGNGLBLLDBZDCO-CQSZACIVSA-N 3 1 241.423 1.681 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000228621900 487695839 /nfs/dbraw/zinc/69/58/39/487695839.db2.gz YEBKGIWTEFFBGG-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000228621900 487695843 /nfs/dbraw/zinc/69/58/43/487695843.db2.gz YEBKGIWTEFFBGG-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H](O)C[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904335599 584866338 /nfs/dbraw/zinc/86/63/38/584866338.db2.gz GUVVMJINBJSBOC-MNOVXSKESA-N 2 1 216.369 1.453 20 0 BDADMP C[C@@H](O)C[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904335599 584866339 /nfs/dbraw/zinc/86/63/39/584866339.db2.gz GUVVMJINBJSBOC-MNOVXSKESA-N 2 1 216.369 1.453 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000226396841 487731462 /nfs/dbraw/zinc/73/14/62/487731462.db2.gz PRYCVNYJQIXIOI-LLVKDONJSA-N 2 1 243.395 1.350 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)[nH]n1 ZINC000671748174 487742897 /nfs/dbraw/zinc/74/28/97/487742897.db2.gz JZYJZLUANHRDHB-MJBXVCDLSA-N 2 1 248.374 1.681 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000222999231 487749235 /nfs/dbraw/zinc/74/92/35/487749235.db2.gz VHAOIEBUEBQWHF-QWRGUYRKSA-N 2 1 205.305 1.423 20 0 BDADMP CCc1cc(NCCC[NH2+]C2CC2)nc(C)[nH+]1 ZINC000088760564 487749883 /nfs/dbraw/zinc/74/98/83/487749883.db2.gz ODZJQUACONHRRT-UHFFFAOYSA-N 2 1 234.347 1.901 20 0 BDADMP CCc1cc(NC[C@H]2CCCC[NH2+]2)nc(C)[nH+]1 ZINC000088760585 487749923 /nfs/dbraw/zinc/74/99/23/487749923.db2.gz CIUJRZINONAMLG-GFCCVEGCSA-N 2 1 234.347 1.901 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000234017206 487756949 /nfs/dbraw/zinc/75/69/49/487756949.db2.gz NGRWOYMINHKMJF-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP CO[C@@H](C[NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000400290435 487791689 /nfs/dbraw/zinc/79/16/89/487791689.db2.gz WCXXIZXEBQALPM-ZDUSSCGKSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251740830 487795012 /nfs/dbraw/zinc/79/50/12/487795012.db2.gz RHFYLIPQKYVUJS-MNOVXSKESA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251740830 487795016 /nfs/dbraw/zinc/79/50/16/487795016.db2.gz RHFYLIPQKYVUJS-MNOVXSKESA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@H]1C[N@H+](Cc2c(C)noc2C)CC[C@H]1[NH3+] ZINC000251769119 487796548 /nfs/dbraw/zinc/79/65/48/487796548.db2.gz MILMBPPYPOHJSX-WCQYABFASA-N 2 1 237.347 1.851 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2c(C)noc2C)CC[C@H]1[NH3+] ZINC000251769119 487796553 /nfs/dbraw/zinc/79/65/53/487796553.db2.gz MILMBPPYPOHJSX-WCQYABFASA-N 2 1 237.347 1.851 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302636 487799959 /nfs/dbraw/zinc/79/99/59/487799959.db2.gz PNFIHLNQHSXBOC-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC[NH3+])C12CCC2 ZINC000414697664 487817395 /nfs/dbraw/zinc/81/73/95/487817395.db2.gz CPYGIKOGVPLZCR-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C12CCC2 ZINC000414697668 487817422 /nfs/dbraw/zinc/81/74/22/487817422.db2.gz CPYGIKOGVPLZCR-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+]CCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000414704880 487819141 /nfs/dbraw/zinc/81/91/41/487819141.db2.gz DPGBUURULUXFKY-OAHLLOKOSA-N 2 1 248.370 1.608 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000234402530 487819200 /nfs/dbraw/zinc/81/92/00/487819200.db2.gz KHCWSCDTZFKLDU-RYUDHWBXSA-N 2 1 206.333 1.988 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000234402318 487819089 /nfs/dbraw/zinc/81/90/89/487819089.db2.gz KHCWSCDTZFKLDU-NEPJUHHUSA-N 2 1 206.333 1.988 20 0 BDADMP CCC1(CC)[C@H]([N@@H+](C)CCC[NH3+])C[C@@H]1OC ZINC000414702200 487819388 /nfs/dbraw/zinc/81/93/88/487819388.db2.gz HTRCEOKNODABCM-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCC[NH3+] ZINC000414730744 487820367 /nfs/dbraw/zinc/82/03/67/487820367.db2.gz ARCGOHDXFDFHTQ-CQSZACIVSA-N 2 1 247.386 1.936 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC[NH3+])C(=O)N1c1ccccc1 ZINC000415120981 487838381 /nfs/dbraw/zinc/83/83/81/487838381.db2.gz YLQYNJWQMSVVSP-WCQYABFASA-N 2 1 247.342 1.119 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC[NH3+])C(=O)N1c1ccccc1 ZINC000415120979 487838582 /nfs/dbraw/zinc/83/85/82/487838582.db2.gz YLQYNJWQMSVVSP-AAEUAGOBSA-N 2 1 247.342 1.119 20 0 BDADMP C[NH+](C)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000676405455 487847476 /nfs/dbraw/zinc/84/74/76/487847476.db2.gz WORNXIDHXOGAEY-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP CCC(C)(C)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000308473153 631355407 /nfs/dbraw/zinc/35/54/07/631355407.db2.gz JLBLKZYBNNMEEU-MRVPVSSYSA-N 2 1 208.296 1.995 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000666746337 487870646 /nfs/dbraw/zinc/87/06/46/487870646.db2.gz QZAHTFYXJYIJBC-GXTWGEPZSA-N 2 1 246.354 1.880 20 0 BDADMP C[C@H](C[N@@H+]1CCN(C)C[C@@H]1CN)C(C)(C)C ZINC000304319416 487886425 /nfs/dbraw/zinc/88/64/25/487886425.db2.gz RUIWZQFQILSUFU-NEPJUHHUSA-N 2 1 227.396 1.243 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1ncccc1C(F)(F)F ZINC000666826435 487886682 /nfs/dbraw/zinc/88/66/82/487886682.db2.gz ZDLGZSKVKTTXTD-QMMMGPOBSA-N 2 1 247.264 1.785 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666832325 487888296 /nfs/dbraw/zinc/88/82/96/487888296.db2.gz IRJAXGNTWYBRKN-VIFPVBQESA-N 2 1 239.388 1.849 20 0 BDADMP CC(C)n1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000666855263 487890894 /nfs/dbraw/zinc/89/08/94/487890894.db2.gz HSJYNHWHMANESZ-ZDUSSCGKSA-N 2 1 236.363 1.696 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC000666852106 487891214 /nfs/dbraw/zinc/89/12/14/487891214.db2.gz FSXCPANLUOIMOA-NWDGAFQWSA-N 2 1 244.342 1.694 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857763 487892091 /nfs/dbraw/zinc/89/20/91/487892091.db2.gz IIJDIUJFZPQFGC-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857763 487892094 /nfs/dbraw/zinc/89/20/94/487892094.db2.gz IIJDIUJFZPQFGC-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000666857763 487892099 /nfs/dbraw/zinc/89/20/99/487892099.db2.gz IIJDIUJFZPQFGC-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1CN(CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000396348399 487914416 /nfs/dbraw/zinc/91/44/16/487914416.db2.gz FEMXWXHZDPAMCE-AWEZNQCLSA-N 2 1 247.386 1.542 20 0 BDADMP c1nc2ccccn2c1C[NH2+]CCC[NH2+]C1CC1 ZINC000666990263 487922493 /nfs/dbraw/zinc/92/24/93/487922493.db2.gz NHPUAUPPUDWQEY-UHFFFAOYSA-N 2 1 244.342 1.566 20 0 BDADMP FC1(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666993837 487923526 /nfs/dbraw/zinc/92/35/26/487923526.db2.gz NHFWKLBSKIUDLB-SNVBAGLBSA-N 2 1 212.312 1.753 20 0 BDADMP c1ccc(C2CC2)c(CNC[C@@H]2C[NH2+]CCO2)c1 ZINC000667036199 487933185 /nfs/dbraw/zinc/93/31/85/487933185.db2.gz VKGXKHKSDRNZSF-AWEZNQCLSA-N 2 1 246.354 1.642 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000562744388 323029798 /nfs/dbraw/zinc/02/97/98/323029798.db2.gz DJSQAKRDKCMZLR-WDEREUQCSA-N 2 1 202.342 1.232 20 0 BDADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000567642481 323034410 /nfs/dbraw/zinc/03/44/10/323034410.db2.gz IFGYKDRFNMDHLQ-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000569697597 323037448 /nfs/dbraw/zinc/03/74/48/323037448.db2.gz DQYYQRDJSRMIHS-CYBMUJFWSA-N 2 1 219.332 1.828 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000569697597 323037449 /nfs/dbraw/zinc/03/74/49/323037449.db2.gz DQYYQRDJSRMIHS-CYBMUJFWSA-N 2 1 219.332 1.828 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000569988861 323046717 /nfs/dbraw/zinc/04/67/17/323046717.db2.gz XEQAKTCJDFIHGE-RDBSUJKOSA-N 2 1 241.423 1.966 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ncccc2F)C1 ZINC000570292649 323055556 /nfs/dbraw/zinc/05/55/56/323055556.db2.gz DZOUTHVBJNWTCU-ZJUUUORDSA-N 2 1 223.295 1.580 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])on1 ZINC000570507848 323061704 /nfs/dbraw/zinc/06/17/04/323061704.db2.gz GANBQXNILQQHKF-BXKDBHETSA-N 2 1 223.320 1.454 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000570529885 323062512 /nfs/dbraw/zinc/06/25/12/323062512.db2.gz ZKLRSROJCVWGTM-MWLCHTKSSA-N 2 1 223.320 1.597 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000563007272 323079489 /nfs/dbraw/zinc/07/94/89/323079489.db2.gz HQKXIUOXBVPTPQ-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000563007270 323079569 /nfs/dbraw/zinc/07/95/69/323079569.db2.gz HQKXIUOXBVPTPQ-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CO1 ZINC000563121833 323093572 /nfs/dbraw/zinc/09/35/72/323093572.db2.gz GYGBQMSGZBYPJX-CMPLNLGQSA-N 2 1 235.331 1.415 20 0 BDADMP CCc1nc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000563422836 323124237 /nfs/dbraw/zinc/12/42/37/323124237.db2.gz CCUXJJQRAQOYMT-AEJSXWLSSA-N 2 1 237.351 1.288 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2cncn2C)CC[N@H+]1C ZINC000401866382 323128342 /nfs/dbraw/zinc/12/83/42/323128342.db2.gz HSWOCCATVUJBJR-NEPJUHHUSA-N 3 1 236.363 1.035 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2cncn2C)CCN1C ZINC000401866382 323128343 /nfs/dbraw/zinc/12/83/43/323128343.db2.gz HSWOCCATVUJBJR-NEPJUHHUSA-N 3 1 236.363 1.035 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000310541204 323133019 /nfs/dbraw/zinc/13/30/19/323133019.db2.gz QYHQBOUQQSGBAS-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000571111892 323135865 /nfs/dbraw/zinc/13/58/65/323135865.db2.gz CJGNMHZXBHFLGY-RKQHYHRCSA-N 2 1 238.375 1.626 20 0 BDADMP COc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414900240 323151924 /nfs/dbraw/zinc/15/19/24/323151924.db2.gz VUXYJUAXLDKZQP-ZDUSSCGKSA-N 2 1 220.316 1.522 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000305255365 323168791 /nfs/dbraw/zinc/16/87/91/323168791.db2.gz BKWXRCHQOMCTIU-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000520972752 323173850 /nfs/dbraw/zinc/17/38/50/323173850.db2.gz BOPKXFYCZLJRHC-QWRGUYRKSA-N 2 1 216.369 1.323 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000308571082 323175849 /nfs/dbraw/zinc/17/58/49/323175849.db2.gz BYHMDEJZMLUKQH-SNVBAGLBSA-N 2 1 200.301 1.420 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000308571082 323175850 /nfs/dbraw/zinc/17/58/50/323175850.db2.gz BYHMDEJZMLUKQH-SNVBAGLBSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1CCCn1ccnc1 ZINC000399303302 323203374 /nfs/dbraw/zinc/20/33/74/323203374.db2.gz XZWCEWHHJCOVRZ-NEPJUHHUSA-N 2 1 223.320 1.118 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054243740 323203536 /nfs/dbraw/zinc/20/35/36/323203536.db2.gz UDTXPWJCQGCZNA-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C(C)C ZINC000395761639 323241610 /nfs/dbraw/zinc/24/16/10/323241610.db2.gz AIXCPTHBYBJLSX-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C(C)C ZINC000395761639 323241612 /nfs/dbraw/zinc/24/16/12/323241612.db2.gz AIXCPTHBYBJLSX-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC000395761639 323241614 /nfs/dbraw/zinc/24/16/14/323241614.db2.gz AIXCPTHBYBJLSX-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1C(C)C ZINC000395761639 323241615 /nfs/dbraw/zinc/24/16/15/323241615.db2.gz AIXCPTHBYBJLSX-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C(C)C ZINC000395761641 323241684 /nfs/dbraw/zinc/24/16/84/323241684.db2.gz AIXCPTHBYBJLSX-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C(C)C ZINC000395761641 323241685 /nfs/dbraw/zinc/24/16/85/323241685.db2.gz AIXCPTHBYBJLSX-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571894803 323500805 /nfs/dbraw/zinc/50/08/05/323500805.db2.gz LFFJLDVPLQQIKE-VXGBXAGGSA-N 2 1 248.374 1.507 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000123101585 324083133 /nfs/dbraw/zinc/08/31/33/324083133.db2.gz LGDOUWKRTWYOQH-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453094074 324142907 /nfs/dbraw/zinc/14/29/07/324142907.db2.gz GKZAKZLNVHUECQ-KGLIPLIRSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400346731 324166660 /nfs/dbraw/zinc/16/66/60/324166660.db2.gz ABKJOGIPJJUPHT-YUMQZZPRSA-N 2 1 226.242 1.253 20 0 BDADMP Fc1ccc(/C=C\C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567589083 324198943 /nfs/dbraw/zinc/19/89/43/324198943.db2.gz WFTBXAJKRANUFW-YZRRVPADSA-N 2 1 246.329 1.990 20 0 BDADMP Fc1ccc(/C=C\C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567589083 324198946 /nfs/dbraw/zinc/19/89/46/324198946.db2.gz WFTBXAJKRANUFW-YZRRVPADSA-N 2 1 246.329 1.990 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000530220561 324538441 /nfs/dbraw/zinc/53/84/41/324538441.db2.gz AJJBCMQFDQDXGA-BBBLOLIVSA-N 2 1 225.311 1.997 20 0 BDADMP C[C@@H](CC1CCCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000125590822 324644806 /nfs/dbraw/zinc/64/48/06/324644806.db2.gz JDCPSQJRWSUWLJ-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP CCc1cc(N(C)CCC[NH+](C)C)nc(C)[nH+]1 ZINC000542019539 325004441 /nfs/dbraw/zinc/00/44/41/325004441.db2.gz ZZPHMFMXKMJNGC-UHFFFAOYSA-N 2 1 236.363 1.735 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130248659 325030393 /nfs/dbraw/zinc/03/03/93/325030393.db2.gz PRJKEOUJVZLPTB-IJLUTSLNSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000131434034 325151058 /nfs/dbraw/zinc/15/10/58/325151058.db2.gz XQGXQJJOGDMHOE-CQSZACIVSA-N 2 1 236.359 1.397 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000137429216 325483401 /nfs/dbraw/zinc/48/34/01/325483401.db2.gz SGRDEGQGZJGSNW-LBPRGKRZSA-N 2 1 248.374 1.488 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1cccc(F)c1F ZINC000564640944 325800609 /nfs/dbraw/zinc/80/06/09/325800609.db2.gz QHAMCTLKIFNYRZ-MRVPVSSYSA-N 2 1 214.259 1.649 20 0 BDADMP Nc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccn1 ZINC000566242554 326021478 /nfs/dbraw/zinc/02/14/78/326021478.db2.gz BDBSUKBHZQKUGY-AWEZNQCLSA-N 2 1 246.358 1.070 20 0 BDADMP Nc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccn1 ZINC000566242554 326021481 /nfs/dbraw/zinc/02/14/81/326021481.db2.gz BDBSUKBHZQKUGY-AWEZNQCLSA-N 2 1 246.358 1.070 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCCOC1 ZINC000566426988 326044930 /nfs/dbraw/zinc/04/49/30/326044930.db2.gz ZMVQIBPLDCBMMI-CYBMUJFWSA-N 2 1 237.347 1.464 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000566426988 326044931 /nfs/dbraw/zinc/04/49/31/326044931.db2.gz ZMVQIBPLDCBMMI-CYBMUJFWSA-N 2 1 237.347 1.464 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000566648780 326071261 /nfs/dbraw/zinc/07/12/61/326071261.db2.gz CVCSRHHNYLDSAL-IHRRRGAJSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000566648780 326071262 /nfs/dbraw/zinc/07/12/62/326071262.db2.gz CVCSRHHNYLDSAL-IHRRRGAJSA-N 2 1 241.423 1.787 20 0 BDADMP c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000566678681 326073640 /nfs/dbraw/zinc/07/36/40/326073640.db2.gz HUTUVBAVGQGXMM-RYUDHWBXSA-N 2 1 235.331 1.496 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000567226795 326146134 /nfs/dbraw/zinc/14/61/34/326146134.db2.gz DYMIORBMXAOQLY-XDQVBPFNSA-N 2 1 232.327 1.898 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000567471892 326199588 /nfs/dbraw/zinc/19/95/88/326199588.db2.gz VMQCCWVHSBZVJZ-IEECTRCBSA-N 2 1 226.364 1.530 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000155750312 326210588 /nfs/dbraw/zinc/21/05/88/326210588.db2.gz RZQWFTWAZCDXSE-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1CC[C@@H](NCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC000155750312 326210589 /nfs/dbraw/zinc/21/05/89/326210589.db2.gz RZQWFTWAZCDXSE-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+]1CC[C@@H](NCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000155750312 326210590 /nfs/dbraw/zinc/21/05/90/326210590.db2.gz RZQWFTWAZCDXSE-ZIAGYGMSSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000156291568 326226759 /nfs/dbraw/zinc/22/67/59/326226759.db2.gz INDOTURNRCUUBV-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000156291568 326226764 /nfs/dbraw/zinc/22/67/64/326226764.db2.gz INDOTURNRCUUBV-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000156291568 326226768 /nfs/dbraw/zinc/22/67/68/326226768.db2.gz INDOTURNRCUUBV-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cn1 ZINC000567639533 326236700 /nfs/dbraw/zinc/23/67/00/326236700.db2.gz ZKUOYCKRZIFWMK-LBPRGKRZSA-N 2 1 238.379 1.942 20 0 BDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000567837947 326267177 /nfs/dbraw/zinc/26/71/77/326267177.db2.gz DOSGOMTYFMKLFW-NEPJUHHUSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000314228150 326294905 /nfs/dbraw/zinc/29/49/05/326294905.db2.gz WSDGKTSGZFEXOY-NWDGAFQWSA-N 2 1 237.347 1.367 20 0 BDADMP CCc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000568474224 326358402 /nfs/dbraw/zinc/35/84/02/326358402.db2.gz UOHZOWNVEGUXFY-LBPRGKRZSA-N 2 1 249.358 1.199 20 0 BDADMP CCc1cc(NCC[N@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000568474224 326358403 /nfs/dbraw/zinc/35/84/03/326358403.db2.gz UOHZOWNVEGUXFY-LBPRGKRZSA-N 2 1 249.358 1.199 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000488318917 533714351 /nfs/dbraw/zinc/71/43/51/533714351.db2.gz BRQJTNINRNGEBP-JHJVBQTASA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000488318917 533714355 /nfs/dbraw/zinc/71/43/55/533714355.db2.gz BRQJTNINRNGEBP-JHJVBQTASA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000488318917 533714361 /nfs/dbraw/zinc/71/43/61/533714361.db2.gz BRQJTNINRNGEBP-JHJVBQTASA-N 2 1 210.365 1.916 20 0 BDADMP CCn1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000656200621 488066518 /nfs/dbraw/zinc/06/65/18/488066518.db2.gz SEWKVMCTLLPDRD-QWRGUYRKSA-N 2 1 222.336 1.263 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257734373 488085977 /nfs/dbraw/zinc/08/59/77/488085977.db2.gz XQFMFQRNGIJXGT-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257734373 488085984 /nfs/dbraw/zinc/08/59/84/488085984.db2.gz XQFMFQRNGIJXGT-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667768839 488114706 /nfs/dbraw/zinc/11/47/06/488114706.db2.gz BJZWFEBZYIHVDV-QWHCGFSZSA-N 2 1 224.348 1.238 20 0 BDADMP COCCCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000397380967 488116888 /nfs/dbraw/zinc/11/68/88/488116888.db2.gz HMWUMNTXIKKYBU-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP COCCCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000397380967 488116894 /nfs/dbraw/zinc/11/68/94/488116894.db2.gz HMWUMNTXIKKYBU-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP COCCCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000397380967 488116900 /nfs/dbraw/zinc/11/69/00/488116900.db2.gz HMWUMNTXIKKYBU-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CC(=O)Nc1cccc(C[NH2+]CCC[NH+](C)C)c1 ZINC000677794243 488121928 /nfs/dbraw/zinc/12/19/28/488121928.db2.gz LLSLSWXHBLMOBI-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667794325 488121966 /nfs/dbraw/zinc/12/19/66/488121966.db2.gz DYYYGYRHUDHKIW-UONOGXRCSA-N 2 1 249.358 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667794326 488122378 /nfs/dbraw/zinc/12/23/78/488122378.db2.gz DYYYGYRHUDHKIW-ZIAGYGMSSA-N 2 1 249.358 1.739 20 0 BDADMP C[C@H](O)C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000668698462 488130234 /nfs/dbraw/zinc/13/02/34/488130234.db2.gz CGMAMEOCQFQQSD-SDDRHHMPSA-N 2 1 224.348 1.116 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1C1CC1)C1CC1 ZINC000685562393 487545264 /nfs/dbraw/zinc/54/52/64/487545264.db2.gz CKSLWCLFCUTMBO-KBPBESRZSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1C1CC1)C1CC1 ZINC000685562393 487545275 /nfs/dbraw/zinc/54/52/75/487545275.db2.gz CKSLWCLFCUTMBO-KBPBESRZSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1C1CC1)C1CC1 ZINC000685562393 487545281 /nfs/dbraw/zinc/54/52/81/487545281.db2.gz CKSLWCLFCUTMBO-KBPBESRZSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1C1CC1)C1CC1 ZINC000685562393 487545285 /nfs/dbraw/zinc/54/52/85/487545285.db2.gz CKSLWCLFCUTMBO-KBPBESRZSA-N 2 1 238.375 1.316 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)n1C ZINC000668245121 487549632 /nfs/dbraw/zinc/54/96/32/487549632.db2.gz UDYNYVVLTDILKX-SKDRFNHKSA-N 2 1 223.320 1.074 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C1 ZINC000685463065 487530571 /nfs/dbraw/zinc/53/05/71/487530571.db2.gz OTHLWBCTDRKRGW-LLVKDONJSA-N 2 1 231.303 1.133 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785264 487531744 /nfs/dbraw/zinc/53/17/44/487531744.db2.gz OZEINANGRPAZCA-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH3+])C1)C1CCC1 ZINC000662236531 487470953 /nfs/dbraw/zinc/47/09/53/487470953.db2.gz ZRXIFRAHABKEQC-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C)O2)CC[C@@H]1[NH3+] ZINC000227052461 487484669 /nfs/dbraw/zinc/48/46/69/487484669.db2.gz TZBXVQJDUAHLEG-NDBYEHHHSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268850918 487502519 /nfs/dbraw/zinc/50/25/19/487502519.db2.gz YAVQHVJWVFWFMJ-ZJUUUORDSA-N 2 1 211.309 1.205 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334438855 487515481 /nfs/dbraw/zinc/51/54/81/487515481.db2.gz KKJDXHYRLVWEQS-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334438855 487515484 /nfs/dbraw/zinc/51/54/84/487515484.db2.gz KKJDXHYRLVWEQS-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP CO[C@@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCC1 ZINC000662275835 490045910 /nfs/dbraw/zinc/04/59/10/490045910.db2.gz FDBYXVUMOMVDHD-DLOVCJGASA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CCC1 ZINC000662275835 490045913 /nfs/dbraw/zinc/04/59/13/490045913.db2.gz FDBYXVUMOMVDHD-DLOVCJGASA-N 2 1 212.337 1.223 20 0 BDADMP CC(C)[C@@H]1CN(C[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000649592835 487766805 /nfs/dbraw/zinc/76/68/05/487766805.db2.gz YHYLBFCTECAFOD-KGLIPLIRSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000649592835 487766811 /nfs/dbraw/zinc/76/68/11/487766811.db2.gz YHYLBFCTECAFOD-KGLIPLIRSA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000649592835 487766815 /nfs/dbraw/zinc/76/68/15/487766815.db2.gz YHYLBFCTECAFOD-KGLIPLIRSA-N 2 1 239.407 1.353 20 0 BDADMP c1cc2cc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2cn1 ZINC000666940417 487909041 /nfs/dbraw/zinc/90/90/41/487909041.db2.gz DODCZEDWDYFILH-FICVDOATSA-N 2 1 239.322 1.542 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000309210375 488036855 /nfs/dbraw/zinc/03/68/55/488036855.db2.gz DIJDMEXJIFEWCJ-NWDGAFQWSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000309210375 488036859 /nfs/dbraw/zinc/03/68/59/488036859.db2.gz DIJDMEXJIFEWCJ-NWDGAFQWSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCSC1 ZINC000309210375 488036861 /nfs/dbraw/zinc/03/68/61/488036861.db2.gz DIJDMEXJIFEWCJ-NWDGAFQWSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCSC1 ZINC000309210375 488036863 /nfs/dbraw/zinc/03/68/63/488036863.db2.gz DIJDMEXJIFEWCJ-NWDGAFQWSA-N 2 1 246.420 1.125 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCOC[C@H]1C ZINC000677819708 488136066 /nfs/dbraw/zinc/13/60/66/488136066.db2.gz NDCFDTRBCSEWMB-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCOC[C@H]1C ZINC000677819708 488136069 /nfs/dbraw/zinc/13/60/69/488136069.db2.gz NDCFDTRBCSEWMB-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP COc1ccccc1CC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000258852129 488139077 /nfs/dbraw/zinc/13/90/77/488139077.db2.gz HYNJMXFYPXCISE-ZDUSSCGKSA-N 2 1 248.370 1.779 20 0 BDADMP COc1ccccc1CC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000258852126 488139751 /nfs/dbraw/zinc/13/97/51/488139751.db2.gz HYNJMXFYPXCISE-CYBMUJFWSA-N 2 1 248.370 1.779 20 0 BDADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000230775585 488156694 /nfs/dbraw/zinc/15/66/94/488156694.db2.gz QBMLAGXPFHSJDH-IACUBPJLSA-N 2 1 248.374 1.022 20 0 BDADMP CC[N@@H+]1CCN(CCn2cc[nH+]c2C)C[C@@H]1C ZINC000677988985 488168944 /nfs/dbraw/zinc/16/89/44/488168944.db2.gz PQTARKAZAFPBTL-LBPRGKRZSA-N 2 1 236.363 1.218 20 0 BDADMP CC[N@H+]1CCN(CCn2cc[nH+]c2C)C[C@@H]1C ZINC000677988985 488168947 /nfs/dbraw/zinc/16/89/47/488168947.db2.gz PQTARKAZAFPBTL-LBPRGKRZSA-N 2 1 236.363 1.218 20 0 BDADMP CC[N@@H+]1CCN(CCn2cc[nH+]c2C)C[C@H]1C ZINC000677988984 488169062 /nfs/dbraw/zinc/16/90/62/488169062.db2.gz PQTARKAZAFPBTL-GFCCVEGCSA-N 2 1 236.363 1.218 20 0 BDADMP CC[N@H+]1CCN(CCn2cc[nH+]c2C)C[C@H]1C ZINC000677988984 488169065 /nfs/dbraw/zinc/16/90/65/488169065.db2.gz PQTARKAZAFPBTL-GFCCVEGCSA-N 2 1 236.363 1.218 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](CCO)CC(C)(C)C ZINC000677984858 488169433 /nfs/dbraw/zinc/16/94/33/488169433.db2.gz WQNKAJLHYNQJOD-UHFFFAOYSA-N 2 1 239.363 1.532 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](CCO)CC(C)(C)C ZINC000677984858 488169437 /nfs/dbraw/zinc/16/94/37/488169437.db2.gz WQNKAJLHYNQJOD-UHFFFAOYSA-N 2 1 239.363 1.532 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc3n2CCC3)CC[C@H]1O ZINC000668011440 488184150 /nfs/dbraw/zinc/18/41/50/488184150.db2.gz BBJDMYOPGSENOX-ZYHUDNBSSA-N 2 1 235.331 1.032 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000037482573 488186865 /nfs/dbraw/zinc/18/68/65/488186865.db2.gz JHCMTHHETPBJDS-GFCCVEGCSA-N 2 1 213.369 1.012 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)n1C ZINC000668031928 488190659 /nfs/dbraw/zinc/19/06/59/488190659.db2.gz MUOLFAPEZLFIBP-DCAQKATOSA-N 2 1 237.347 1.726 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC2CCC2)CCO1 ZINC000398647303 488221359 /nfs/dbraw/zinc/22/13/59/488221359.db2.gz KFYZYSKWWJFBEQ-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC2CCC2)CCO1 ZINC000398647303 488221363 /nfs/dbraw/zinc/22/13/63/488221363.db2.gz KFYZYSKWWJFBEQ-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn[nH]c3)CC[C@H]21 ZINC000678339235 488242573 /nfs/dbraw/zinc/24/25/73/488242573.db2.gz JTKGGIWISASKGD-QWHCGFSZSA-N 2 1 234.347 1.326 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn[nH]c3)CC[C@H]21 ZINC000678339235 488242576 /nfs/dbraw/zinc/24/25/76/488242576.db2.gz JTKGGIWISASKGD-QWHCGFSZSA-N 2 1 234.347 1.326 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn[nH]c3)CC[C@H]21 ZINC000678339235 488242577 /nfs/dbraw/zinc/24/25/77/488242577.db2.gz JTKGGIWISASKGD-QWHCGFSZSA-N 2 1 234.347 1.326 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn[nH]c3)CC[C@H]21 ZINC000678339235 488242579 /nfs/dbraw/zinc/24/25/79/488242579.db2.gz JTKGGIWISASKGD-QWHCGFSZSA-N 2 1 234.347 1.326 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000679333905 488340823 /nfs/dbraw/zinc/34/08/23/488340823.db2.gz VVEDPXBLLYMCKN-JTQLQIEISA-N 2 1 247.346 1.964 20 0 BDADMP COC[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319715 490051528 /nfs/dbraw/zinc/05/15/28/490051528.db2.gz KZEQVZQOVVJRPG-OLZOCXBDSA-N 2 1 244.379 1.064 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000314623480 490092051 /nfs/dbraw/zinc/09/20/51/490092051.db2.gz BSQSFRLCMBUIHX-CQSZACIVSA-N 2 1 248.374 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)C1CC1 ZINC000305619738 490465967 /nfs/dbraw/zinc/46/59/67/490465967.db2.gz GYWBONJPTBLIBQ-ZDUSSCGKSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)C1CC1 ZINC000305619738 490465974 /nfs/dbraw/zinc/46/59/74/490465974.db2.gz GYWBONJPTBLIBQ-ZDUSSCGKSA-N 2 1 237.347 1.284 20 0 BDADMP COc1cccc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000401840441 490586560 /nfs/dbraw/zinc/58/65/60/490586560.db2.gz NOKSUIBBFHRCKE-UHFFFAOYSA-N 2 1 245.326 1.761 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000400613435 491132908 /nfs/dbraw/zinc/13/29/08/491132908.db2.gz XFTBOVRZIUZWSU-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCCCO ZINC000309587379 491150900 /nfs/dbraw/zinc/15/09/00/491150900.db2.gz SJGJQPVQLIBANK-LLVKDONJSA-N 2 1 225.336 1.332 20 0 BDADMP CN(CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000133738208 491159916 /nfs/dbraw/zinc/15/99/16/491159916.db2.gz BHGSOEJHITXELO-HNNXBMFYSA-N 2 1 247.386 1.542 20 0 BDADMP CC(C)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000145853042 582469256 /nfs/dbraw/zinc/46/92/56/582469256.db2.gz GRHWXEHZURZQAG-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP CCc1nc(NCC[C@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000261564596 536126175 /nfs/dbraw/zinc/12/61/75/536126175.db2.gz XTOCJSLJMWNCKI-LLVKDONJSA-N 2 1 234.347 1.759 20 0 BDADMP CCc1nc(NC[C@@H]([NH3+])C2CC2)cc(C)[nH+]1 ZINC000261569441 536126313 /nfs/dbraw/zinc/12/63/13/536126313.db2.gz GHSIXQQCGIGTQB-SNVBAGLBSA-N 2 1 220.320 1.497 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414908352 518181799 /nfs/dbraw/zinc/18/17/99/518181799.db2.gz BIAHDVIRPWOHPR-YRGRVCCFSA-N 2 1 240.391 1.779 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000222641149 536345122 /nfs/dbraw/zinc/34/51/22/536345122.db2.gz NPMNUNHTRXDBGI-OLZOCXBDSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CC2)C1 ZINC000335703603 536475691 /nfs/dbraw/zinc/47/56/91/536475691.db2.gz YCRZKPHNBSZFKO-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CC2CC2)C1 ZINC000335703603 536475692 /nfs/dbraw/zinc/47/56/92/536475692.db2.gz YCRZKPHNBSZFKO-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CC2CC2)C1 ZINC000335703603 536475694 /nfs/dbraw/zinc/47/56/94/536475694.db2.gz YCRZKPHNBSZFKO-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP CC(C)CCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400446578 527760530 /nfs/dbraw/zinc/76/05/30/527760530.db2.gz NSRVWVBUZKUVTR-CHWSQXEVSA-N 2 1 228.380 1.779 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261532736 536525665 /nfs/dbraw/zinc/52/56/65/536525665.db2.gz DJWXGWALWMAJOS-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400322315 527979832 /nfs/dbraw/zinc/97/98/32/527979832.db2.gz BKTKHZZLAOWFQZ-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400337203 528828670 /nfs/dbraw/zinc/82/86/70/528828670.db2.gz GLBKPGAOWRIHRY-JHJVBQTASA-N 2 1 227.396 1.445 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400406317 528979114 /nfs/dbraw/zinc/97/91/14/528979114.db2.gz RNGRDWWFSVYHGL-DCAQKATOSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000400395986 529370053 /nfs/dbraw/zinc/37/00/53/529370053.db2.gz OODYDHCQGHOXKG-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1cnn(C)c1 ZINC000226430131 535062595 /nfs/dbraw/zinc/06/25/95/535062595.db2.gz SPJXNKUKVMFTED-CYBMUJFWSA-N 2 1 238.379 1.268 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336158638 535150466 /nfs/dbraw/zinc/15/04/66/535150466.db2.gz IHTCSNPKXRIEML-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336158638 535150468 /nfs/dbraw/zinc/15/04/68/535150468.db2.gz IHTCSNPKXRIEML-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336158638 535150469 /nfs/dbraw/zinc/15/04/69/535150469.db2.gz IHTCSNPKXRIEML-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252715952 535160346 /nfs/dbraw/zinc/16/03/46/535160346.db2.gz XEOFSBYGMBMROK-FDYHWXHSSA-N 2 1 228.380 1.322 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261589650 535177518 /nfs/dbraw/zinc/17/75/18/535177518.db2.gz UAFWAMOFMXWPNY-RWMBFGLXSA-N 2 1 226.364 1.328 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000262014800 535263676 /nfs/dbraw/zinc/26/36/76/535263676.db2.gz VLRDSYGVLDDKLT-ZDUSSCGKSA-N 2 1 226.364 1.343 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH2+]C)C1(C)C ZINC000261529890 535406912 /nfs/dbraw/zinc/40/69/12/535406912.db2.gz BRAMVPZFBGCDJT-HBNTYKKESA-N 2 1 214.353 1.388 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000261570671 535461789 /nfs/dbraw/zinc/46/17/89/535461789.db2.gz HAUUSMWCTIKERS-MNOVXSKESA-N 2 1 222.332 1.911 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C1CC(OC)C1 ZINC000352204033 535502495 /nfs/dbraw/zinc/50/24/95/535502495.db2.gz WIWZQAZZTHLDOR-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CC[C@@H](C)[N@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000261935950 535552179 /nfs/dbraw/zinc/55/21/79/535552179.db2.gz MBZPEDNCGVSZDU-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP CC[NH+](CC)Cc1nc(C[C@H](C)[NH2+]C)no1 ZINC000261907353 535614330 /nfs/dbraw/zinc/61/43/30/535614330.db2.gz ZFJVKIVYIOLZCC-VIFPVBQESA-N 2 1 226.324 1.062 20 0 BDADMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000348102005 535824824 /nfs/dbraw/zinc/82/48/24/535824824.db2.gz KFTMPLWJZOQZMY-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084385124 535842732 /nfs/dbraw/zinc/84/27/32/535842732.db2.gz LKIVFLXEFCMGGZ-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH2+]C)C2)CCO1 ZINC000262034381 535896725 /nfs/dbraw/zinc/89/67/25/535896725.db2.gz OJONPJUBCVNPHR-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH2+]C)C2)CCO1 ZINC000262034381 535896722 /nfs/dbraw/zinc/89/67/22/535896722.db2.gz OJONPJUBCVNPHR-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000252791624 536057445 /nfs/dbraw/zinc/05/74/45/536057445.db2.gz UEPNPCWFJMTQJU-CMPLNLGQSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000252791624 536057449 /nfs/dbraw/zinc/05/74/49/536057449.db2.gz UEPNPCWFJMTQJU-CMPLNLGQSA-N 2 1 222.336 1.072 20 0 BDADMP CCc1nc(N2C[C@@H](C[NH3+])C[C@@H]2C)cc(C)[nH+]1 ZINC000261560138 536126859 /nfs/dbraw/zinc/12/68/59/536126859.db2.gz UFOFGMXVHDDOKP-WDEREUQCSA-N 2 1 234.347 1.521 20 0 BDADMP CCc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000229098555 536148110 /nfs/dbraw/zinc/14/81/10/536148110.db2.gz YIDNYXJOUBCYJN-PWSUYJOCSA-N 2 1 248.374 1.769 20 0 BDADMP C[NH+]1CCC(N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000084215960 536345397 /nfs/dbraw/zinc/34/53/97/536345397.db2.gz IAONFDYUWWRLCP-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000249836982 536345554 /nfs/dbraw/zinc/34/55/54/536345554.db2.gz FOOXSFOPTQIELE-YNEHKIRRSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CO)C1 ZINC000217614848 536353601 /nfs/dbraw/zinc/35/36/01/536353601.db2.gz LGHIGZXFUQWJOZ-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000217614848 536353604 /nfs/dbraw/zinc/35/36/04/536353604.db2.gz LGHIGZXFUQWJOZ-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CO)C1 ZINC000217614848 536353607 /nfs/dbraw/zinc/35/36/07/536353607.db2.gz LGHIGZXFUQWJOZ-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000183686180 536390582 /nfs/dbraw/zinc/39/05/82/536390582.db2.gz CIBRJPTYKNOBCG-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261535249 536526468 /nfs/dbraw/zinc/52/64/68/536526468.db2.gz XGIVGZHYCHZQTP-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851984392 582989019 /nfs/dbraw/zinc/98/90/19/582989019.db2.gz CJTZUZLDFOVZTC-RYUDHWBXSA-N 2 1 240.347 1.108 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851984392 582989020 /nfs/dbraw/zinc/98/90/20/582989020.db2.gz CJTZUZLDFOVZTC-RYUDHWBXSA-N 2 1 240.347 1.108 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000891783491 582720619 /nfs/dbraw/zinc/72/06/19/582720619.db2.gz HLLUJARQLMNCFA-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]c(CO)c2)C[C@@H]1C ZINC000110733183 582815132 /nfs/dbraw/zinc/81/51/32/582815132.db2.gz AOEAZMDKEOXWCR-NSHDSACASA-N 2 1 235.331 1.104 20 0 BDADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)nc1 ZINC000892757536 582976621 /nfs/dbraw/zinc/97/66/21/582976621.db2.gz JKKVHVNFPFBKNM-UHFFFAOYSA-N 2 1 246.314 1.385 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[nH+]1 ZINC000892874708 583000886 /nfs/dbraw/zinc/00/08/86/583000886.db2.gz AKNVCDXJNCDIID-NXEZZACHSA-N 2 1 247.346 1.404 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[nH+]1 ZINC000892874708 583000888 /nfs/dbraw/zinc/00/08/88/583000888.db2.gz AKNVCDXJNCDIID-NXEZZACHSA-N 2 1 247.346 1.404 20 0 BDADMP CN1CC[N@@H+](CCCCCC[NH3+])C(C)(C)C1 ZINC000857086925 588886766 /nfs/dbraw/zinc/88/67/66/588886766.db2.gz NFWXARAMPPWRRH-UHFFFAOYSA-N 2 1 227.396 1.532 20 0 BDADMP CC[N@@H+](CCOC)Cc1c(C)ccnc1N ZINC000893927276 583246474 /nfs/dbraw/zinc/24/64/74/583246474.db2.gz FPMDXMGUAVBBJX-UHFFFAOYSA-N 2 1 223.320 1.441 20 0 BDADMP CCN(CCOC)Cc1c(C)ccnc1N ZINC000893927276 583246476 /nfs/dbraw/zinc/24/64/76/583246476.db2.gz FPMDXMGUAVBBJX-UHFFFAOYSA-N 2 1 223.320 1.441 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCOC3)CC[C@@H]21 ZINC000877744041 583345673 /nfs/dbraw/zinc/34/56/73/583345673.db2.gz ZKAJFOMQSRHHMN-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCOC3)CC[C@@H]21 ZINC000877744041 583345675 /nfs/dbraw/zinc/34/56/75/583345675.db2.gz ZKAJFOMQSRHHMN-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)CC[C@@H]21 ZINC000877744041 583345677 /nfs/dbraw/zinc/34/56/77/583345677.db2.gz ZKAJFOMQSRHHMN-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)CC[C@@H]21 ZINC000877744041 583345678 /nfs/dbraw/zinc/34/56/78/583345678.db2.gz ZKAJFOMQSRHHMN-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H](CCNCc1cnc[nH]1)[NH+]1CCCCC1 ZINC000894443480 583460189 /nfs/dbraw/zinc/46/01/89/583460189.db2.gz CRRMBYFEGCXHTP-LBPRGKRZSA-N 2 1 236.363 1.764 20 0 BDADMP Cc1ncoc1C[N@@H+](C)CCCn1ccnc1 ZINC000894776237 583517112 /nfs/dbraw/zinc/51/71/12/583517112.db2.gz DSTKKONRHONYJJ-UHFFFAOYSA-N 2 1 234.303 1.702 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1COCC1(C)C)C1CC1 ZINC000894968667 583560844 /nfs/dbraw/zinc/56/08/44/583560844.db2.gz WYYFUWLSSRFNCG-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc[nH]2)C1 ZINC000894986952 583565160 /nfs/dbraw/zinc/56/51/60/583565160.db2.gz WZABZUONDBLMKY-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]cn2)C1 ZINC000894986952 583565162 /nfs/dbraw/zinc/56/51/62/583565162.db2.gz WZABZUONDBLMKY-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]cn2)C1 ZINC000894986952 583565164 /nfs/dbraw/zinc/56/51/64/583565164.db2.gz WZABZUONDBLMKY-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP C[C@H](CC[NH2+]Cc1cccc2nccn21)[NH+](C)C ZINC000895296365 583641308 /nfs/dbraw/zinc/64/13/08/583641308.db2.gz IARAIPUAKSZPIZ-GFCCVEGCSA-N 2 1 246.358 1.764 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H]2CC(C)=NO2)CC1 ZINC000895305717 583643775 /nfs/dbraw/zinc/64/37/75/583643775.db2.gz ZLFXAKGGTGPHJO-GFCCVEGCSA-N 2 1 225.336 1.225 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000895404579 583666456 /nfs/dbraw/zinc/66/64/56/583666456.db2.gz UDOSHYAHQGDASG-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccnc(F)c1 ZINC000858195881 588938495 /nfs/dbraw/zinc/93/84/95/588938495.db2.gz DLXBCFCRGUEIFR-UHFFFAOYSA-N 2 1 234.278 1.287 20 0 BDADMP CC(=O)CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729921105 584029428 /nfs/dbraw/zinc/02/94/28/584029428.db2.gz XHHUWAYTDYQGGR-LBPRGKRZSA-N 2 1 221.304 1.499 20 0 BDADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)CC[N@H+]1C ZINC000858423316 588953367 /nfs/dbraw/zinc/95/33/67/588953367.db2.gz CRWQHHQKAJDRRW-JQWIXIFHSA-N 2 1 235.331 1.469 20 0 BDADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)C[N@H+]1C1CC1 ZINC000858441379 588954906 /nfs/dbraw/zinc/95/49/06/588954906.db2.gz PWRQIYLPZMTPQC-CMPLNLGQSA-N 2 1 247.342 1.611 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]c(CO)c1 ZINC000858464596 588957511 /nfs/dbraw/zinc/95/75/11/588957511.db2.gz OYNLJEOSQMQPKE-GHMZBOCLSA-N 2 1 235.331 1.103 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c(CO)c1 ZINC000858464598 588957613 /nfs/dbraw/zinc/95/76/13/588957613.db2.gz OYNLJEOSQMQPKE-QWRGUYRKSA-N 2 1 235.331 1.103 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000873282960 584129164 /nfs/dbraw/zinc/12/91/64/584129164.db2.gz XTGNDZYTPBMHNP-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490080 588960040 /nfs/dbraw/zinc/96/00/40/588960040.db2.gz AXOUBGPBPJTZEJ-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899264621 584189232 /nfs/dbraw/zinc/18/92/32/584189232.db2.gz ISLPYTCTKXJDKY-SNVBAGLBSA-N 2 1 226.368 1.239 20 0 BDADMP C[C@H](NC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000899267644 584193015 /nfs/dbraw/zinc/19/30/15/584193015.db2.gz RAKJFNDXXCNUQQ-QWRGUYRKSA-N 2 1 238.379 1.241 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317422 584556837 /nfs/dbraw/zinc/55/68/37/584556837.db2.gz KBUYTORIAKNWHJ-LBPRGKRZSA-N 3 1 227.396 1.306 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(CO)c1 ZINC000902413050 584587357 /nfs/dbraw/zinc/58/73/57/584587357.db2.gz HBJCYCKHTYURKP-JTQLQIEISA-N 2 1 220.316 1.321 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000902415500 584589680 /nfs/dbraw/zinc/58/96/80/584589680.db2.gz GOZPBMLQSXKMRW-GFCCVEGCSA-N 2 1 220.291 1.894 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCC[NH2+]1 ZINC000902428768 584594503 /nfs/dbraw/zinc/59/45/03/584594503.db2.gz HUNCCFJZQLHSTI-GHYVTOPFSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429445 584594967 /nfs/dbraw/zinc/59/49/67/584594967.db2.gz LZYDCQCYVYWIGT-FQUUOJAGSA-N 2 1 240.391 1.658 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000902447808 584604539 /nfs/dbraw/zinc/60/45/39/584604539.db2.gz VVJSTBOJIUJOHJ-RWMBFGLXSA-N 2 1 239.407 1.304 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448970 584605325 /nfs/dbraw/zinc/60/53/25/584605325.db2.gz KGBHZGDRQKGSJO-NEPJUHHUSA-N 2 1 228.380 1.635 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000902450395 584606193 /nfs/dbraw/zinc/60/61/93/584606193.db2.gz RWTPPJJKMYPJLA-AVGNSLFASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC2(C)C)CC[N@H+]1C ZINC000902449778 584606215 /nfs/dbraw/zinc/60/62/15/584606215.db2.gz QDURAGXNBVTIKL-UTUOFQBUSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cncs1 ZINC000902453450 584607914 /nfs/dbraw/zinc/60/79/14/584607914.db2.gz CZFGRCFHDIBQFE-UWVGGRQHSA-N 2 1 225.361 1.936 20 0 BDADMP Cn1cnc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000902460302 584611793 /nfs/dbraw/zinc/61/17/93/584611793.db2.gz GOTZEMSRVPKDNC-CMPLNLGQSA-N 2 1 222.336 1.027 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(C)C ZINC000902471507 584617216 /nfs/dbraw/zinc/61/72/16/584617216.db2.gz PRQJXPCADCBDTG-IRCOFANPSA-N 2 1 212.337 1.140 20 0 BDADMP C[C@H]([NH2+]CC[C@H](O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000902506259 584621798 /nfs/dbraw/zinc/62/17/98/584621798.db2.gz XSNZBUXUHDPWSE-DRZSPHRISA-N 2 1 226.364 1.268 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000902482984 584623898 /nfs/dbraw/zinc/62/38/98/584623898.db2.gz OHYMQLZCYSYTDU-STQMWFEESA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482991 584624238 /nfs/dbraw/zinc/62/42/38/584624238.db2.gz OIXGLFLVBRRJOE-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902483568 584624565 /nfs/dbraw/zinc/62/45/65/584624565.db2.gz RROSGVJEKRYIII-VXGBXAGGSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902518519 584630659 /nfs/dbraw/zinc/63/06/59/584630659.db2.gz MDLXOWSJUNDWPA-BQUFFADESA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000902518523 584631005 /nfs/dbraw/zinc/63/10/05/584631005.db2.gz MDLXOWSJUNDWPA-SYEHKZFSSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1C ZINC000903093463 584729196 /nfs/dbraw/zinc/72/91/96/584729196.db2.gz RHAHYLLUZPCSBM-QMVSFRDZSA-N 2 1 242.407 1.569 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000903352079 584755333 /nfs/dbraw/zinc/75/53/33/584755333.db2.gz QNUBIRPFSHOIFK-IHRRRGAJSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000903352079 584755334 /nfs/dbraw/zinc/75/53/34/584755334.db2.gz QNUBIRPFSHOIFK-IHRRRGAJSA-N 2 1 248.374 1.383 20 0 BDADMP COC[C@@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)C(C)C ZINC000903427619 584761429 /nfs/dbraw/zinc/76/14/29/584761429.db2.gz ZNNRSCYNXGBOOY-OLZOCXBDSA-N 2 1 230.396 1.868 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000903441341 584763486 /nfs/dbraw/zinc/76/34/86/584763486.db2.gz OCZBXJKOFAGDHB-RFGFWPKPSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000903441341 584763487 /nfs/dbraw/zinc/76/34/87/584763487.db2.gz OCZBXJKOFAGDHB-RFGFWPKPSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CN ZINC000903424824 584764975 /nfs/dbraw/zinc/76/49/75/584764975.db2.gz HYVDZQLRGNEJAK-NDBYEHHHSA-N 2 1 225.380 1.173 20 0 BDADMP C[C@@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000903424824 584764976 /nfs/dbraw/zinc/76/49/76/584764976.db2.gz HYVDZQLRGNEJAK-NDBYEHHHSA-N 2 1 225.380 1.173 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C(C)C ZINC000903459273 584766016 /nfs/dbraw/zinc/76/60/16/584766016.db2.gz FTXNQURCJJPIJF-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000903464375 584767822 /nfs/dbraw/zinc/76/78/22/584767822.db2.gz LBMVATMMDMXMFV-HZSPNIEDSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CN1C ZINC000903454417 584773581 /nfs/dbraw/zinc/77/35/81/584773581.db2.gz BOOMMDSWPMSUFG-XQHKEYJVSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOC1CC1 ZINC000903455314 584774169 /nfs/dbraw/zinc/77/41/69/584774169.db2.gz UBAILKBDAOPRHT-FOGDFJRCSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)O1 ZINC000903470835 584775340 /nfs/dbraw/zinc/77/53/40/584775340.db2.gz DUUHPKSPKDGAKB-WOPDTQHZSA-N 2 1 224.348 1.428 20 0 BDADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)ccn1 ZINC000903471484 584775434 /nfs/dbraw/zinc/77/54/34/584775434.db2.gz SKXAQFHKCXQNTF-CYBMUJFWSA-N 2 1 231.343 1.498 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000903476310 584777584 /nfs/dbraw/zinc/77/75/84/584777584.db2.gz UGXJDEFBVZWLFG-MROQNXINSA-N 2 1 240.416 1.527 20 0 BDADMP C(C[C@@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000903483055 584778720 /nfs/dbraw/zinc/77/87/20/584778720.db2.gz BYOVMUOYABBPAL-STQMWFEESA-N 2 1 237.391 1.250 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000903482377 584778761 /nfs/dbraw/zinc/77/87/61/584778761.db2.gz FOWDYOQHBSQKMC-XHJNMGKDSA-N 2 1 239.407 1.562 20 0 BDADMP CCOC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484245 584779354 /nfs/dbraw/zinc/77/93/54/584779354.db2.gz PYLMIDKZCGMXLE-LLVKDONJSA-N 2 1 240.347 1.204 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ncn1 ZINC000903499674 584779924 /nfs/dbraw/zinc/77/99/24/584779924.db2.gz XVJHQBWOZZTDRL-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499431 584780156 /nfs/dbraw/zinc/78/01/56/584780156.db2.gz UTDJGMXBIMXDFP-GHMZBOCLSA-N 2 1 237.347 1.654 20 0 BDADMP [NH3+]CCOCC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491133 584780959 /nfs/dbraw/zinc/78/09/59/584780959.db2.gz WVNZGRSPHJFHFV-LSDHHAIUSA-N 2 1 246.354 1.235 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccccc1CF ZINC000903717206 584792202 /nfs/dbraw/zinc/79/22/02/584792202.db2.gz JVUIXQZTYWZBEF-UHFFFAOYSA-N 2 1 210.296 1.937 20 0 BDADMP CCCC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718116 584792637 /nfs/dbraw/zinc/79/26/37/584792637.db2.gz ZYISPAVFQAOBOA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729258 584792881 /nfs/dbraw/zinc/79/28/81/584792881.db2.gz LKKPECOGYCNSCE-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730646 584793114 /nfs/dbraw/zinc/79/31/14/584793114.db2.gz YFSJDLDJZAHMKL-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903730648 584793220 /nfs/dbraw/zinc/79/32/20/584793220.db2.gz YFSJDLDJZAHMKL-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)c1ccccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000903752052 584795492 /nfs/dbraw/zinc/79/54/92/584795492.db2.gz PWFZDZYFULCMKA-CYBMUJFWSA-N 2 1 236.359 1.561 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903752913 584796109 /nfs/dbraw/zinc/79/61/09/584796109.db2.gz PZVQODPPLDHYHU-VXGBXAGGSA-N 2 1 242.363 1.117 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903744525 584796752 /nfs/dbraw/zinc/79/67/52/584796752.db2.gz UKNTUVKBKVQYPV-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903744525 584796754 /nfs/dbraw/zinc/79/67/54/584796754.db2.gz UKNTUVKBKVQYPV-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903764492 584797102 /nfs/dbraw/zinc/79/71/02/584797102.db2.gz SQDUEWUIXQLMCK-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP CC1CC(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000903761614 584797593 /nfs/dbraw/zinc/79/75/93/584797593.db2.gz XEMRSZNRYZRPKM-BPCQOVAHSA-N 2 1 208.349 1.860 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000903761614 584797594 /nfs/dbraw/zinc/79/75/94/584797594.db2.gz XEMRSZNRYZRPKM-BPCQOVAHSA-N 2 1 208.349 1.860 20 0 BDADMP C[N@H+]1CCN(C[C@H]2CCCC[NH2+]C2)C(C)(C)C1 ZINC000903769598 584798090 /nfs/dbraw/zinc/79/80/90/584798090.db2.gz KAKQZYGHBJPVSE-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)OCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903796291 584800632 /nfs/dbraw/zinc/80/06/32/584800632.db2.gz UVXWPSVPKQXBHI-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903796291 584800634 /nfs/dbraw/zinc/80/06/34/584800634.db2.gz UVXWPSVPKQXBHI-OLZOCXBDSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCc1cn[nH]c1 ZINC000903804231 584802799 /nfs/dbraw/zinc/80/27/99/584802799.db2.gz BOJFWQPZVUWDPR-CHWSQXEVSA-N 2 1 234.347 1.156 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCc1cn[nH]c1 ZINC000903804231 584802800 /nfs/dbraw/zinc/80/28/00/584802800.db2.gz BOJFWQPZVUWDPR-CHWSQXEVSA-N 2 1 234.347 1.156 20 0 BDADMP C[C@H]1CSCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000903831570 584806093 /nfs/dbraw/zinc/80/60/93/584806093.db2.gz JWSMFYZGKNGGCQ-NSHDSACASA-N 2 1 228.405 1.956 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903832993 584806317 /nfs/dbraw/zinc/80/63/17/584806317.db2.gz VAQWXEMMEFFOTO-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000903838595 584806421 /nfs/dbraw/zinc/80/64/21/584806421.db2.gz DGKJPJQHVPUUET-CYUUQNCZSA-N 2 1 246.354 1.532 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC000903842992 584807623 /nfs/dbraw/zinc/80/76/23/584807623.db2.gz ZYYOEZGZXJLTMK-BMBPFWFJSA-N 2 1 200.713 1.551 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903843357 584807656 /nfs/dbraw/zinc/80/76/56/584807656.db2.gz JHKZCCAJYBOERI-XUXIUFHCSA-N 3 1 237.391 1.188 20 0 BDADMP CC(C)OCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903852682 584807999 /nfs/dbraw/zinc/80/79/99/584807999.db2.gz BSUSBPJWBCVGDD-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903852682 584808000 /nfs/dbraw/zinc/80/80/00/584808000.db2.gz BSUSBPJWBCVGDD-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903852684 584808040 /nfs/dbraw/zinc/80/80/40/584808040.db2.gz BSUSBPJWBCVGDD-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903852684 584808041 /nfs/dbraw/zinc/80/80/41/584808041.db2.gz BSUSBPJWBCVGDD-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2CCCCCCC[NH3+] ZINC000903856641 584809029 /nfs/dbraw/zinc/80/90/29/584809029.db2.gz AWRVPLXTJXSQGR-UONOGXRCSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856641 584809030 /nfs/dbraw/zinc/80/90/30/584809030.db2.gz AWRVPLXTJXSQGR-UONOGXRCSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856641 584809031 /nfs/dbraw/zinc/80/90/31/584809031.db2.gz AWRVPLXTJXSQGR-UONOGXRCSA-N 3 1 239.407 1.709 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903855413 584809266 /nfs/dbraw/zinc/80/92/66/584809266.db2.gz MTLRVTHZVUXTGA-UONOGXRCSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855413 584809268 /nfs/dbraw/zinc/80/92/68/584809268.db2.gz MTLRVTHZVUXTGA-UONOGXRCSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855413 584809270 /nfs/dbraw/zinc/80/92/70/584809270.db2.gz MTLRVTHZVUXTGA-UONOGXRCSA-N 2 1 240.391 1.862 20 0 BDADMP CCn1cc(CC[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cn1 ZINC000903859637 584810756 /nfs/dbraw/zinc/81/07/56/584810756.db2.gz OEXODPQPIICXPM-UONOGXRCSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cn1 ZINC000903859637 584810757 /nfs/dbraw/zinc/81/07/57/584810757.db2.gz OEXODPQPIICXPM-UONOGXRCSA-N 2 1 248.374 1.259 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861006 584812370 /nfs/dbraw/zinc/81/23/70/584812370.db2.gz VHLSRJFWDZBQRY-VOAKCMCISA-N 2 1 208.349 1.846 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861006 584812371 /nfs/dbraw/zinc/81/23/71/584812371.db2.gz VHLSRJFWDZBQRY-VOAKCMCISA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865160 584812798 /nfs/dbraw/zinc/81/27/98/584812798.db2.gz AXJOKZGDKSSEFX-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865160 584812799 /nfs/dbraw/zinc/81/27/99/584812799.db2.gz AXJOKZGDKSSEFX-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869633 584814798 /nfs/dbraw/zinc/81/47/98/584814798.db2.gz JCNCLTASDPIAGA-IHRRRGAJSA-N 2 1 236.359 1.241 20 0 BDADMP C=C/C=C/CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870703 584814858 /nfs/dbraw/zinc/81/48/58/584814858.db2.gz PKVXYRRLRGDGAU-OOPCZODUSA-N 2 1 206.333 1.947 20 0 BDADMP C=C/C=C/CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870703 584814859 /nfs/dbraw/zinc/81/48/59/584814859.db2.gz PKVXYRRLRGDGAU-OOPCZODUSA-N 2 1 206.333 1.947 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903871961 584815269 /nfs/dbraw/zinc/81/52/69/584815269.db2.gz UIPBLFCZWNWINV-XQQFMLRXSA-N 2 1 240.416 1.671 20 0 BDADMP C1=CCC(C[N@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903872284 584815599 /nfs/dbraw/zinc/81/55/99/584815599.db2.gz YGVKBXIITRQZCY-ZDUSSCGKSA-N 2 1 206.333 1.781 20 0 BDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000903873751 584815817 /nfs/dbraw/zinc/81/58/17/584815817.db2.gz MDMGLMMFRIVLEY-WYTNZGFTSA-N 3 1 237.391 1.186 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903874480 584816741 /nfs/dbraw/zinc/81/67/41/584816741.db2.gz BQXLDRJMAQMPEU-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1cc(N)cc(C[NH2+]C[C@@H]([NH3+])CC(F)F)c1 ZINC000903918779 584823188 /nfs/dbraw/zinc/82/31/88/584823188.db2.gz HROQAEOOTIXBLE-NSHDSACASA-N 2 1 243.301 1.649 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903918200 584826909 /nfs/dbraw/zinc/82/69/09/584826909.db2.gz UWKVBMGTUZNBAZ-SCXOTVEISA-N 3 1 249.402 1.201 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903918200 584826911 /nfs/dbraw/zinc/82/69/11/584826911.db2.gz UWKVBMGTUZNBAZ-SCXOTVEISA-N 3 1 249.402 1.201 20 0 BDADMP Cn1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903958005 584827435 /nfs/dbraw/zinc/82/74/35/584827435.db2.gz VNXFJPOBJVVWFZ-NSHDSACASA-N 2 1 243.301 1.360 20 0 BDADMP CC(C)(C)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974115 584832710 /nfs/dbraw/zinc/83/27/10/584832710.db2.gz MCDVNICOVJEHLP-LBPRGKRZSA-N 2 1 240.391 1.781 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978401 584832857 /nfs/dbraw/zinc/83/28/57/584832857.db2.gz OGOBUOOIFPKTRP-JHJVBQTASA-N 3 1 227.396 1.134 20 0 BDADMP COc1ccsc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903965120 584834704 /nfs/dbraw/zinc/83/47/04/584834704.db2.gz WBXRBAHPLPWEPG-ZJUUUORDSA-N 2 1 240.372 1.702 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299367 584860255 /nfs/dbraw/zinc/86/02/55/584860255.db2.gz BZYZQFRLOVLCAY-HNNXBMFYSA-N 3 1 247.386 1.577 20 0 BDADMP C[NH2+]C[C@@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299367 584860257 /nfs/dbraw/zinc/86/02/57/584860257.db2.gz BZYZQFRLOVLCAY-HNNXBMFYSA-N 2 1 247.386 1.577 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904302069 584861812 /nfs/dbraw/zinc/86/18/12/584861812.db2.gz UTIWNODWIWFPLO-RISCZKNCSA-N 3 1 233.359 1.314 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC000904307614 584862968 /nfs/dbraw/zinc/86/29/68/584862968.db2.gz SJMHLLFZJGEZBG-UTUOFQBUSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000904323738 584864794 /nfs/dbraw/zinc/86/47/94/584864794.db2.gz RPJUPCMVFJHOTN-MELADBBJSA-N 3 1 237.391 1.141 20 0 BDADMP C[C@H](O)CC[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904321679 584864806 /nfs/dbraw/zinc/86/48/06/584864806.db2.gz BQAKHUNKLBROSF-RYUDHWBXSA-N 2 1 230.396 1.843 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904321679 584864807 /nfs/dbraw/zinc/86/48/07/584864807.db2.gz BQAKHUNKLBROSF-RYUDHWBXSA-N 2 1 230.396 1.843 20 0 BDADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904322627 584864846 /nfs/dbraw/zinc/86/48/46/584864846.db2.gz FVVVYMBZSRIPAB-QNWHQSFQSA-N 2 1 240.391 1.859 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1n1ccnc1 ZINC000904327956 584865254 /nfs/dbraw/zinc/86/52/54/584865254.db2.gz JZQQUUAIOHJIHO-FQUUOJAGSA-N 2 1 248.374 1.503 20 0 BDADMP CCOC(=O)[C@@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904341009 584867512 /nfs/dbraw/zinc/86/75/12/584867512.db2.gz HMNYSHMVFZCNJM-MXWKQRLJSA-N 2 1 240.347 1.140 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346567 584868318 /nfs/dbraw/zinc/86/83/18/584868318.db2.gz UFGAJKAFTLMTJX-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)[C@H](C)O1 ZINC000904345773 584868424 /nfs/dbraw/zinc/86/84/24/584868424.db2.gz IZMPNKNBJDHSEG-ZIQFBCGOSA-N 2 1 212.337 1.221 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)[C@@H](C)O1 ZINC000904345772 584868610 /nfs/dbraw/zinc/86/86/10/584868610.db2.gz IZMPNKNBJDHSEG-ROHXPCBUSA-N 2 1 212.337 1.221 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904350051 584868790 /nfs/dbraw/zinc/86/87/90/584868790.db2.gz GKUHKGWMPAHHPN-ZDUSSCGKSA-N 3 1 221.348 1.218 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000904354782 584871015 /nfs/dbraw/zinc/87/10/15/584871015.db2.gz GBUPOCJZDQZWKX-CQSZACIVSA-N 2 1 247.386 1.623 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000904358711 584872417 /nfs/dbraw/zinc/87/24/17/584872417.db2.gz ROBZAOMWFHWDME-FQUUOJAGSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+]Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000904373799 584874121 /nfs/dbraw/zinc/87/41/21/584874121.db2.gz WODMJDOSDZFJIA-UHFFFAOYSA-N 3 1 245.370 1.473 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2ccc(N)nn2)[C@@H]1CC[NH3+] ZINC000904376922 584876272 /nfs/dbraw/zinc/87/62/72/584876272.db2.gz ZBSZQGAZYFCWLA-CMPLNLGQSA-N 2 1 249.362 1.008 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccc(N)nn2)[C@@H]1CC[NH3+] ZINC000904376922 584876274 /nfs/dbraw/zinc/87/62/74/584876274.db2.gz ZBSZQGAZYFCWLA-CMPLNLGQSA-N 2 1 249.362 1.008 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904405678 584878727 /nfs/dbraw/zinc/87/87/27/584878727.db2.gz MJQOHSIZRNQYKN-JTQLQIEISA-N 2 1 239.388 1.876 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nccn2C2CC2)CC[C@@H]1C[NH3+] ZINC000904409604 584878951 /nfs/dbraw/zinc/87/89/51/584878951.db2.gz DJDKOGFURVXXJU-NWDGAFQWSA-N 2 1 248.374 1.635 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@@H]1C[NH3+] ZINC000904409369 584879306 /nfs/dbraw/zinc/87/93/06/584879306.db2.gz AIDYLWFCBLKEBY-WCQYABFASA-N 2 1 221.348 1.442 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412340 584879706 /nfs/dbraw/zinc/87/97/06/584879706.db2.gz SXMCVYKXBHSPFP-NWDGAFQWSA-N 2 1 236.363 1.320 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817912534 584991111 /nfs/dbraw/zinc/99/11/11/584991111.db2.gz HHDCEKZWNYNGNX-HABKJSAYSA-N 2 1 237.391 1.343 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838859180 585075721 /nfs/dbraw/zinc/07/57/21/585075721.db2.gz DGCOSJJRXHWWJZ-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000755068647 585294118 /nfs/dbraw/zinc/29/41/18/585294118.db2.gz XRUYMPRZWWPKCQ-ZDUSSCGKSA-N 2 1 227.396 1.354 20 0 BDADMP C[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@H+]1C ZINC000761080488 585406514 /nfs/dbraw/zinc/40/65/14/585406514.db2.gz UEPQKPUHMJYGHJ-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767414367 585519300 /nfs/dbraw/zinc/51/93/00/585519300.db2.gz JWAWDMUTPUYOLO-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767414367 585519301 /nfs/dbraw/zinc/51/93/01/585519301.db2.gz JWAWDMUTPUYOLO-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767414367 585519302 /nfs/dbraw/zinc/51/93/02/585519302.db2.gz JWAWDMUTPUYOLO-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000767414367 585519303 /nfs/dbraw/zinc/51/93/03/585519303.db2.gz JWAWDMUTPUYOLO-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767414367 585519304 /nfs/dbraw/zinc/51/93/04/585519304.db2.gz JWAWDMUTPUYOLO-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP CCN1CCC([N@@H+](C)CCC(=O)C2CC2)CC1 ZINC000767414936 585519494 /nfs/dbraw/zinc/51/94/94/585519494.db2.gz LXLPBZFAYWLPAT-UHFFFAOYSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]1CC[N@@H+](CCF)C[C@H]1n1ccnc1 ZINC000767434955 585520030 /nfs/dbraw/zinc/52/00/30/585520030.db2.gz ROPUCCBCFRCIOC-GHMZBOCLSA-N 2 1 211.284 1.736 20 0 BDADMP C[C@@H]1CCN(CCF)C[C@H]1n1ccnc1 ZINC000767434955 585520031 /nfs/dbraw/zinc/52/00/31/585520031.db2.gz ROPUCCBCFRCIOC-GHMZBOCLSA-N 2 1 211.284 1.736 20 0 BDADMP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc2c1COC2 ZINC000770393598 585573716 /nfs/dbraw/zinc/57/37/16/585573716.db2.gz DOWNUTFHENIGRP-HUUCEWRRSA-N 2 1 244.338 1.368 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000778957884 585742856 /nfs/dbraw/zinc/74/28/56/585742856.db2.gz HPQWMEKUFHVPLE-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000778957883 585742886 /nfs/dbraw/zinc/74/28/86/585742886.db2.gz HPQWMEKUFHVPLE-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCO ZINC000779401048 585753258 /nfs/dbraw/zinc/75/32/58/585753258.db2.gz SFCADWUYMDEZOG-MNOVXSKESA-N 2 1 202.342 1.077 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCO ZINC000779401048 585753259 /nfs/dbraw/zinc/75/32/59/585753259.db2.gz SFCADWUYMDEZOG-MNOVXSKESA-N 2 1 202.342 1.077 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCO ZINC000779397337 585753396 /nfs/dbraw/zinc/75/33/96/585753396.db2.gz ADVJVLGWKBHXGP-GHMZBOCLSA-N 2 1 225.336 1.188 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779411703 585754022 /nfs/dbraw/zinc/75/40/22/585754022.db2.gz GPKLMHJNPRJDIE-ZIAGYGMSSA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@@H](C)C1 ZINC000783308798 585833415 /nfs/dbraw/zinc/83/34/15/585833415.db2.gz FTMBDHXIHBTXIO-IHRRRGAJSA-N 2 1 238.375 1.999 20 0 BDADMP CN(CCC[N@@H+](C)C/C=C/Cl)CC[NH+](C)C ZINC000808781273 586489611 /nfs/dbraw/zinc/48/96/11/586489611.db2.gz CYBHBIUNWLOOFB-FNORWQNLSA-N 2 1 247.814 1.554 20 0 BDADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)n(C)n1 ZINC000813876866 586608477 /nfs/dbraw/zinc/60/84/77/586608477.db2.gz AZOKFWWGWIFFBA-JQWIXIFHSA-N 2 1 238.379 1.577 20 0 BDADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817892510 586832786 /nfs/dbraw/zinc/83/27/86/586832786.db2.gz ASNQGQDHARRQBK-BPNCWPANSA-N 2 1 234.343 1.709 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)[nH]n1 ZINC000817894407 586834160 /nfs/dbraw/zinc/83/41/60/586834160.db2.gz YLNHCMCEUBFVGX-ZWNOBZJWSA-N 2 1 236.363 1.450 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817905987 586837254 /nfs/dbraw/zinc/83/72/54/586837254.db2.gz RPHYTTOCQHNENA-IJLUTSLNSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccsc1 ZINC000817911504 586837886 /nfs/dbraw/zinc/83/78/86/586837886.db2.gz BSZYAMGKZCWWHT-TUAOUCFPSA-N 2 1 240.372 1.425 20 0 BDADMP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccsc1 ZINC000817911501 586838027 /nfs/dbraw/zinc/83/80/27/586838027.db2.gz BSZYAMGKZCWWHT-SRVKXCTJSA-N 2 1 240.372 1.425 20 0 BDADMP CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817925270 586841224 /nfs/dbraw/zinc/84/12/24/586841224.db2.gz UQXNXAZOMHVKTF-KGLIPLIRSA-N 2 1 248.370 1.883 20 0 BDADMP CC(C)(O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817925271 586841250 /nfs/dbraw/zinc/84/12/50/586841250.db2.gz UQXNXAZOMHVKTF-UONOGXRCSA-N 2 1 248.370 1.883 20 0 BDADMP CC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])OCCCO1 ZINC000817926416 586841442 /nfs/dbraw/zinc/84/14/42/586841442.db2.gz IFIGTENZPAYTAA-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1CCC[NH2+]1 ZINC000817923775 586841807 /nfs/dbraw/zinc/84/18/07/586841807.db2.gz HYSHEGKWQZNZEO-AGIUHOORSA-N 2 1 224.348 1.799 20 0 BDADMP C[C@H]([NH2+]CCC[NH3+])c1cccnc1Cl ZINC000817938412 586843835 /nfs/dbraw/zinc/84/38/35/586843835.db2.gz JYLGJYUMDBFVHJ-QMMMGPOBSA-N 2 1 213.712 1.734 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817966485 586854780 /nfs/dbraw/zinc/85/47/80/586854780.db2.gz ORTWDOVEEALARO-ZJUUUORDSA-N 2 1 220.316 1.619 20 0 BDADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH3+])c1 ZINC000817970420 586857152 /nfs/dbraw/zinc/85/71/52/586857152.db2.gz VCPXSWYJLDQQIN-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000817971661 586859566 /nfs/dbraw/zinc/85/95/66/586859566.db2.gz OSIXPWZSUNVTBT-GXFFZTMASA-N 2 1 204.317 1.919 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000830028104 587532428 /nfs/dbraw/zinc/53/24/28/587532428.db2.gz DZMQGRGYRWLYAV-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000830028104 587532430 /nfs/dbraw/zinc/53/24/30/587532430.db2.gz DZMQGRGYRWLYAV-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000830028104 587532431 /nfs/dbraw/zinc/53/24/31/587532431.db2.gz DZMQGRGYRWLYAV-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CCCCC[NH3+] ZINC000831970492 587639855 /nfs/dbraw/zinc/63/98/55/587639855.db2.gz HHMFHTHPPMRAFA-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CCO ZINC000834844676 587768630 /nfs/dbraw/zinc/76/86/30/587768630.db2.gz TXEGBNALSUQNAC-KBPBESRZSA-N 2 1 242.407 1.857 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841036701 587938053 /nfs/dbraw/zinc/93/80/53/587938053.db2.gz VWKARXOROYXHMG-MXWKQRLJSA-N 2 1 246.445 1.565 20 0 BDADMP C1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C[NH2+]1 ZINC000841045023 587939133 /nfs/dbraw/zinc/93/91/33/587939133.db2.gz KXKKPTNEXGBQGB-LNFKQOIKSA-N 2 1 244.429 1.318 20 0 BDADMP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CCN1 ZINC000842473659 588028834 /nfs/dbraw/zinc/02/88/34/588028834.db2.gz UDCWCZVWRIRNFH-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCN1 ZINC000842473659 588028836 /nfs/dbraw/zinc/02/88/36/588028836.db2.gz UDCWCZVWRIRNFH-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP c1ccc([C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000842476116 588029714 /nfs/dbraw/zinc/02/97/14/588029714.db2.gz HCLJUPBDGYIJEF-UONOGXRCSA-N 2 1 245.370 1.871 20 0 BDADMP OCCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842478025 588029919 /nfs/dbraw/zinc/02/99/19/588029919.db2.gz JFZZNYJGJWFWCF-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842478025 588029921 /nfs/dbraw/zinc/02/99/21/588029921.db2.gz JFZZNYJGJWFWCF-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP CC[NH+](CC)Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842665797 588050478 /nfs/dbraw/zinc/05/04/78/588050478.db2.gz AVURZRYCZRNRDH-SNVBAGLBSA-N 2 1 238.335 1.378 20 0 BDADMP CC(C)[N@H+](C)Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842666622 588050936 /nfs/dbraw/zinc/05/09/36/588050936.db2.gz DDJLBMNVUYPAIM-JTQLQIEISA-N 2 1 238.335 1.377 20 0 BDADMP CC(C)[N@@H+](C)Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842666622 588050938 /nfs/dbraw/zinc/05/09/38/588050938.db2.gz DDJLBMNVUYPAIM-JTQLQIEISA-N 2 1 238.335 1.377 20 0 BDADMP C[C@@H]1CN(CCCCCCC[NH3+])C[C@@H](C)[NH2+]1 ZINC000843352154 588102341 /nfs/dbraw/zinc/10/23/41/588102341.db2.gz RFSFDPBESNEKPD-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843364530 588104217 /nfs/dbraw/zinc/10/42/17/588104217.db2.gz LMYAGVVSKFQNJB-STQMWFEESA-N 3 1 227.396 1.565 20 0 BDADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378373 588105256 /nfs/dbraw/zinc/10/52/56/588105256.db2.gz SGMHQGCQOXWDDT-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378374 588105771 /nfs/dbraw/zinc/10/57/71/588105771.db2.gz SGMHQGCQOXWDDT-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000844222120 588174274 /nfs/dbraw/zinc/17/42/74/588174274.db2.gz VNDGFKVDMQAZJS-OLZOCXBDSA-N 2 1 248.374 1.209 20 0 BDADMP CC[N@H+](CCc1ccccn1)CC[C@H]1CC[NH2+]C1 ZINC000844221750 588174357 /nfs/dbraw/zinc/17/43/57/588174357.db2.gz JVPOXVJEFLLKCK-CQSZACIVSA-N 2 1 247.386 1.946 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000844297962 588181688 /nfs/dbraw/zinc/18/16/88/588181688.db2.gz VSXOCBDCQOMUDO-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCCCC[NH3+] ZINC000846217424 588260371 /nfs/dbraw/zinc/26/03/71/588260371.db2.gz HINBVBVTEICYFR-LBPRGKRZSA-N 3 1 215.385 1.469 20 0 BDADMP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H](C)N1 ZINC000846217361 588260461 /nfs/dbraw/zinc/26/04/61/588260461.db2.gz FMDKIQIFCNRABE-TXEJJXNPSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1CN(CCCCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000846217361 588260462 /nfs/dbraw/zinc/26/04/62/588260462.db2.gz FMDKIQIFCNRABE-TXEJJXNPSA-N 2 1 213.369 1.188 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000846219535 588260865 /nfs/dbraw/zinc/26/08/65/588260865.db2.gz CELJMYPMAWNBSH-CYBMUJFWSA-N 3 1 227.396 1.566 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](C)CN1C ZINC000846220324 588261034 /nfs/dbraw/zinc/26/10/34/588261034.db2.gz FZDTWGMQXHDYHB-OLZOCXBDSA-N 2 1 227.396 1.530 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C/C=C/Cl)CC12CCOCC2 ZINC000846220380 588261139 /nfs/dbraw/zinc/26/11/39/588261139.db2.gz HUYARHJZOYJBBJ-BQTOJVEASA-N 2 1 244.766 1.426 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCCC[NH3+] ZINC000846220603 588261155 /nfs/dbraw/zinc/26/11/55/588261155.db2.gz RLARHIFASYOUIX-RYUDHWBXSA-N 2 1 213.369 1.175 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCOC[C@H]1C1CC1 ZINC000846221120 588261381 /nfs/dbraw/zinc/26/13/81/588261381.db2.gz SSWZLBRSVXZLIO-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000846220391 588261384 /nfs/dbraw/zinc/26/13/84/588261384.db2.gz IDMWCCSDAVKJHN-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000846220391 588261385 /nfs/dbraw/zinc/26/13/85/588261385.db2.gz IDMWCCSDAVKJHN-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C1(CN)CCC1 ZINC000846221403 588261397 /nfs/dbraw/zinc/26/13/97/588261397.db2.gz YXQOEVXBICFBJS-UHFFFAOYSA-N 2 1 213.369 1.319 20 0 BDADMP CN(CCCCCC[NH3+])C1(C[NH3+])CCC1 ZINC000846221403 588261398 /nfs/dbraw/zinc/26/13/98/588261398.db2.gz YXQOEVXBICFBJS-UHFFFAOYSA-N 2 1 213.369 1.319 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@H+]1CCCCCC[NH3+] ZINC000846220143 588261443 /nfs/dbraw/zinc/26/14/43/588261443.db2.gz DGIBGZPJQNSXFM-NWDGAFQWSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1CCCCCC[NH3+] ZINC000846220143 588261444 /nfs/dbraw/zinc/26/14/44/588261444.db2.gz DGIBGZPJQNSXFM-NWDGAFQWSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846223056 588261768 /nfs/dbraw/zinc/26/17/68/588261768.db2.gz GMGQTPGXVTVPIE-OLZOCXBDSA-N 3 1 227.396 1.422 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNC1=[NH+]CCCN1C ZINC000848987479 588426321 /nfs/dbraw/zinc/42/63/21/588426321.db2.gz AFNCGZBYPPCTSC-LBPRGKRZSA-N 2 1 238.379 1.142 20 0 BDADMP CCNC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000848987932 588426474 /nfs/dbraw/zinc/42/64/74/588426474.db2.gz QIUJZSIFCFMJIO-UHFFFAOYSA-N 2 1 226.368 1.385 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004259 588431616 /nfs/dbraw/zinc/43/16/16/588431616.db2.gz JQXRNHFKZYNXCJ-QWRGUYRKSA-N 2 1 226.368 1.241 20 0 BDADMP CCN(CC)C(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004636 588432082 /nfs/dbraw/zinc/43/20/82/588432082.db2.gz SADCNPCWCIOAMK-LLVKDONJSA-N 2 1 226.368 1.194 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCF ZINC000849030079 588442202 /nfs/dbraw/zinc/44/22/02/588442202.db2.gz BSBMMDSZHCOUFZ-LLVKDONJSA-N 2 1 244.358 1.334 20 0 BDADMP CCN(CC)C(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849040708 588447730 /nfs/dbraw/zinc/44/77/30/588447730.db2.gz CLWQEBMHRJLDOH-GFCCVEGCSA-N 2 1 240.395 1.584 20 0 BDADMP CC(C)CNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849047035 588450191 /nfs/dbraw/zinc/45/01/91/588450191.db2.gz NLEFZMZQBFPQEG-UHFFFAOYSA-N 2 1 242.411 1.734 20 0 BDADMP CC[N@@H+](CCCNC(=[NH2+])NC)C1CCCCC1 ZINC000849047254 588450702 /nfs/dbraw/zinc/45/07/02/588450702.db2.gz SBBJHCZMZLYKAZ-UHFFFAOYSA-N 2 1 240.395 1.775 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000851771944 588625768 /nfs/dbraw/zinc/62/57/68/588625768.db2.gz SKPKXJSDRRZANG-NEPJUHHUSA-N 2 1 242.363 1.021 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000851771944 588625769 /nfs/dbraw/zinc/62/57/69/588625769.db2.gz SKPKXJSDRRZANG-NEPJUHHUSA-N 2 1 242.363 1.021 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](CCOC(F)F)CC1 ZINC000851985695 588651767 /nfs/dbraw/zinc/65/17/67/588651767.db2.gz PPTYNFWILFEQRY-JTQLQIEISA-N 2 1 236.306 1.642 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOC(F)F)CC1 ZINC000851985695 588651768 /nfs/dbraw/zinc/65/17/68/588651768.db2.gz PPTYNFWILFEQRY-JTQLQIEISA-N 2 1 236.306 1.642 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOC(F)F)C[C@H]21 ZINC000852746632 588699011 /nfs/dbraw/zinc/69/90/11/588699011.db2.gz MUWRXALALMMDTH-OPRDCNLKSA-N 2 1 234.290 1.285 20 0 BDADMP CC[C@@H]1C[N@H+](CCOC(F)F)CC[C@H]1[NH3+] ZINC000852748224 588699370 /nfs/dbraw/zinc/69/93/70/588699370.db2.gz NJKJVTCPVYOYBQ-RKDXNWHRSA-N 2 1 222.279 1.285 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOC(F)F)CC[C@H]1[NH3+] ZINC000852748224 588699371 /nfs/dbraw/zinc/69/93/71/588699371.db2.gz NJKJVTCPVYOYBQ-RKDXNWHRSA-N 2 1 222.279 1.285 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])[C@H](CN)C1 ZINC000852759405 588700398 /nfs/dbraw/zinc/70/03/98/588700398.db2.gz NSZMHIVBNZFKJM-OLZOCXBDSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@@H]1CCN(CCCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000852759405 588700399 /nfs/dbraw/zinc/70/03/99/588700399.db2.gz NSZMHIVBNZFKJM-OLZOCXBDSA-N 2 1 227.396 1.565 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000852755108 588700438 /nfs/dbraw/zinc/70/04/38/588700438.db2.gz YKYMAYVVGHFUDR-STQMWFEESA-N 2 1 226.364 1.759 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](CCCCCC[NH3+])C2 ZINC000852755309 588700656 /nfs/dbraw/zinc/70/06/56/588700656.db2.gz LNHCLANPKQNHMG-OKILXGFUSA-N 2 1 240.391 1.864 20 0 BDADMP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C[NH2+]1 ZINC000863546554 589297729 /nfs/dbraw/zinc/29/77/29/589297729.db2.gz KXKKPTNEXGBQGB-CHWFTXMASA-N 2 1 244.429 1.318 20 0 BDADMP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C[NH2+]1 ZINC000863546555 589298152 /nfs/dbraw/zinc/29/81/52/589298152.db2.gz KXKKPTNEXGBQGB-DBIOUOCHSA-N 2 1 244.429 1.318 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864451295 589364494 /nfs/dbraw/zinc/36/44/94/589364494.db2.gz AYIKYSNDODPJNG-ONGXEEELSA-N 2 1 235.335 1.104 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864451292 589364635 /nfs/dbraw/zinc/36/46/35/589364635.db2.gz AYIKYSNDODPJNG-GXSJLCMTSA-N 2 1 235.335 1.104 20 0 BDADMP CC[C@@H]1CCN(C(=[NH2+])NCC[N@H+](C)C2CC2)C1 ZINC000864457790 589367984 /nfs/dbraw/zinc/36/79/84/589367984.db2.gz UVKWDUDXZJPGAY-LLVKDONJSA-N 2 1 238.379 1.337 20 0 BDADMP CC[C@@H]1CCN(C(=[NH2+])NCC[N@@H+](C)C2CC2)C1 ZINC000864457790 589367985 /nfs/dbraw/zinc/36/79/85/589367985.db2.gz UVKWDUDXZJPGAY-LLVKDONJSA-N 2 1 238.379 1.337 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864468839 589372607 /nfs/dbraw/zinc/37/26/07/589372607.db2.gz JHHORLZXMIAELS-VXGBXAGGSA-N 2 1 240.395 1.487 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000865695179 589456673 /nfs/dbraw/zinc/45/66/73/589456673.db2.gz XYAIYMBUSLNBAN-GOCOPAARSA-N 2 1 236.359 1.094 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCC1CC1)C2 ZINC000866668683 589510024 /nfs/dbraw/zinc/51/00/24/589510024.db2.gz ICXIQMNESWLGRH-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1C[NH3+] ZINC000866673169 589510555 /nfs/dbraw/zinc/51/05/55/589510555.db2.gz WZOCDNZKKNDHIU-IAQYHMDHSA-N 2 1 246.354 1.743 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866704725 589513225 /nfs/dbraw/zinc/51/32/25/589513225.db2.gz XFGPXCBIHMDSDR-JSGCOSHPSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866704725 589513226 /nfs/dbraw/zinc/51/32/26/589513226.db2.gz XFGPXCBIHMDSDR-JSGCOSHPSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866722787 589515529 /nfs/dbraw/zinc/51/55/29/589515529.db2.gz DQILOAFYUUOSMF-LOWDOPEQSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866722787 589515531 /nfs/dbraw/zinc/51/55/31/589515531.db2.gz DQILOAFYUUOSMF-LOWDOPEQSA-N 2 1 224.348 1.238 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H](C)C1 ZINC000872125739 589875256 /nfs/dbraw/zinc/87/52/56/589875256.db2.gz CKMKAZWPJCMZFG-ZDEQEGDKSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H]2CCC[C@H]21 ZINC000872127407 589877100 /nfs/dbraw/zinc/87/71/00/589877100.db2.gz RXUAAMCHMLWNBN-XGFWRYKXSA-N 2 1 238.375 1.220 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141316 589881947 /nfs/dbraw/zinc/88/19/47/589881947.db2.gz DIDQWGZZLAJVSD-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000872144161 589883682 /nfs/dbraw/zinc/88/36/82/589883682.db2.gz WFKGWLMWLVDBHF-XQQFMLRXSA-N 2 1 236.359 1.097 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000872145634 589883898 /nfs/dbraw/zinc/88/38/98/589883898.db2.gz VQEFOMCMSSXLKX-NWDGAFQWSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872144616 589883996 /nfs/dbraw/zinc/88/39/96/589883996.db2.gz IBNBVIFDDNVNRW-AGIUHOORSA-N 2 1 238.375 1.757 20 0 BDADMP FC(F)[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000872146165 589885405 /nfs/dbraw/zinc/88/54/05/589885405.db2.gz HIFNQVUQLAZDCP-GHMZBOCLSA-N 2 1 248.317 1.342 20 0 BDADMP FC(F)[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000872146165 589885406 /nfs/dbraw/zinc/88/54/06/589885406.db2.gz HIFNQVUQLAZDCP-GHMZBOCLSA-N 2 1 248.317 1.342 20 0 BDADMP CC(=O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000872146158 589885426 /nfs/dbraw/zinc/88/54/26/589885426.db2.gz HAEYLOKDHHUZQI-ZDUSSCGKSA-N 2 1 224.348 1.287 20 0 BDADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])ncn1 ZINC000872155367 589886440 /nfs/dbraw/zinc/88/64/40/589886440.db2.gz LEBWQZVBOZWEFY-UHFFFAOYSA-N 2 1 236.363 1.736 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000873221888 589999512 /nfs/dbraw/zinc/99/95/12/589999512.db2.gz SGFOUOFLESPWNQ-NWDGAFQWSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000873221888 589999514 /nfs/dbraw/zinc/99/95/14/589999514.db2.gz SGFOUOFLESPWNQ-NWDGAFQWSA-N 2 1 228.380 1.453 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CCCCCC[NH3+])CC[NH2+]1 ZINC000873231431 590002695 /nfs/dbraw/zinc/00/26/95/590002695.db2.gz IUICLOSHEWCZTH-UONOGXRCSA-N 3 1 241.423 1.825 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263511 590014309 /nfs/dbraw/zinc/01/43/09/590014309.db2.gz IRYXDIKZUGSWNL-SYEHKZFSSA-N 2 1 248.374 1.899 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876991358 590266031 /nfs/dbraw/zinc/26/60/31/590266031.db2.gz MEZLITNCNYQXIU-SECBINFHSA-N 2 1 248.157 1.975 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC[C@@H]3CCO3)CC[C@@H]21 ZINC000877743394 590411823 /nfs/dbraw/zinc/41/18/23/590411823.db2.gz VNGSHUOCCILWMH-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC[C@@H]3CCO3)CC[C@@H]21 ZINC000877743394 590411826 /nfs/dbraw/zinc/41/18/26/590411826.db2.gz VNGSHUOCCILWMH-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC[C@@H]3CCO3)CC[C@@H]21 ZINC000877743394 590411828 /nfs/dbraw/zinc/41/18/28/590411828.db2.gz VNGSHUOCCILWMH-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC[C@@H]3CCO3)CC[C@@H]21 ZINC000877743394 590411831 /nfs/dbraw/zinc/41/18/31/590411831.db2.gz VNGSHUOCCILWMH-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167259 590513890 /nfs/dbraw/zinc/51/38/90/590513890.db2.gz RBMYRHCLKSRUQC-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167259 590513893 /nfs/dbraw/zinc/51/38/93/590513893.db2.gz RBMYRHCLKSRUQC-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167259 590513896 /nfs/dbraw/zinc/51/38/96/590513896.db2.gz RBMYRHCLKSRUQC-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000878513253 590583708 /nfs/dbraw/zinc/58/37/08/590583708.db2.gz YNSZZJIIYHCXKD-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000878645050 590600267 /nfs/dbraw/zinc/60/02/67/590600267.db2.gz GTMRZYAAMJUQSN-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569964 590807239 /nfs/dbraw/zinc/80/72/39/590807239.db2.gz CSCNMJDTYIBYTB-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569964 590807240 /nfs/dbraw/zinc/80/72/40/590807240.db2.gz CSCNMJDTYIBYTB-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569964 590807241 /nfs/dbraw/zinc/80/72/41/590807241.db2.gz CSCNMJDTYIBYTB-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569964 590807243 /nfs/dbraw/zinc/80/72/43/590807243.db2.gz CSCNMJDTYIBYTB-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP COCCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573785 590813061 /nfs/dbraw/zinc/81/30/61/590813061.db2.gz RKOMFAXVWLNZRK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573785 590813063 /nfs/dbraw/zinc/81/30/63/590813063.db2.gz RKOMFAXVWLNZRK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573785 590813067 /nfs/dbraw/zinc/81/30/67/590813067.db2.gz RKOMFAXVWLNZRK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573785 590813068 /nfs/dbraw/zinc/81/30/68/590813068.db2.gz RKOMFAXVWLNZRK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573994 590815300 /nfs/dbraw/zinc/81/53/00/590815300.db2.gz VJZRZARIKPKRBS-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573994 590815302 /nfs/dbraw/zinc/81/53/02/590815302.db2.gz VJZRZARIKPKRBS-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573994 590815307 /nfs/dbraw/zinc/81/53/07/590815307.db2.gz VJZRZARIKPKRBS-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC=CC3)CC[C@H]21 ZINC000879578304 590815618 /nfs/dbraw/zinc/81/56/18/590815618.db2.gz CVYYOUQFEYBAKI-ZIAGYGMSSA-N 2 1 220.360 1.979 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC=CC3)CC[C@H]21 ZINC000879578304 590815621 /nfs/dbraw/zinc/81/56/21/590815621.db2.gz CVYYOUQFEYBAKI-ZIAGYGMSSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC=CC3)CC[C@H]21 ZINC000879578304 590815624 /nfs/dbraw/zinc/81/56/24/590815624.db2.gz CVYYOUQFEYBAKI-ZIAGYGMSSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC=CC3)CC[C@H]21 ZINC000879578304 590815628 /nfs/dbraw/zinc/81/56/28/590815628.db2.gz CVYYOUQFEYBAKI-ZIAGYGMSSA-N 2 1 220.360 1.979 20 0 BDADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccnn1C ZINC000879686854 590848587 /nfs/dbraw/zinc/84/85/87/590848587.db2.gz KHXRTXXZPQEXET-NSHDSACASA-N 2 1 247.346 1.437 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccncc2N)C1 ZINC000883028478 591519514 /nfs/dbraw/zinc/51/95/14/591519514.db2.gz LNVKJTGXTXPCEU-STQMWFEESA-N 2 1 248.374 1.626 20 0 BDADMP C=C/C=C/CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433833 591664257 /nfs/dbraw/zinc/66/42/57/591664257.db2.gz ZXWCKKWWQFIVJL-OOPCZODUSA-N 2 1 206.333 1.947 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433833 591664258 /nfs/dbraw/zinc/66/42/58/591664258.db2.gz ZXWCKKWWQFIVJL-OOPCZODUSA-N 2 1 206.333 1.947 20 0 BDADMP C=C/C=C\CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433831 591664733 /nfs/dbraw/zinc/66/47/33/591664733.db2.gz ZXWCKKWWQFIVJL-DHCBQETCSA-N 2 1 206.333 1.947 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433831 591664737 /nfs/dbraw/zinc/66/47/37/591664737.db2.gz ZXWCKKWWQFIVJL-DHCBQETCSA-N 2 1 206.333 1.947 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C[C@@H]1[NH3+] ZINC000883442348 591669612 /nfs/dbraw/zinc/66/96/12/591669612.db2.gz JOJCIDQTLQMDPK-VHSXEESVSA-N 2 1 239.750 1.950 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@](C)(O)C(F)F)CC[C@H]21 ZINC000886310744 592204989 /nfs/dbraw/zinc/20/49/89/592204989.db2.gz UGXWCMKGYRQFDN-CKYFFXLPSA-N 2 1 248.317 1.029 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@](C)(O)C(F)F)CC[C@H]21 ZINC000886310744 592204990 /nfs/dbraw/zinc/20/49/90/592204990.db2.gz UGXWCMKGYRQFDN-CKYFFXLPSA-N 2 1 248.317 1.029 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@](C)(O)C(F)F)CC[C@H]21 ZINC000886310744 592204992 /nfs/dbraw/zinc/20/49/92/592204992.db2.gz UGXWCMKGYRQFDN-CKYFFXLPSA-N 2 1 248.317 1.029 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@](C)(O)C(F)F)CC[C@H]21 ZINC000886310744 592204993 /nfs/dbraw/zinc/20/49/93/592204993.db2.gz UGXWCMKGYRQFDN-CKYFFXLPSA-N 2 1 248.317 1.029 20 0 BDADMP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)COC)CC1 ZINC000886711401 592309525 /nfs/dbraw/zinc/30/95/25/592309525.db2.gz VMDKNTYPOAJAMQ-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828233 592350993 /nfs/dbraw/zinc/35/09/93/592350993.db2.gz ZZIWNHOJTBJRLD-AVGNSLFASA-N 2 1 224.348 1.084 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827712 592351373 /nfs/dbraw/zinc/35/13/73/592351373.db2.gz QDPZCHJJXNODFX-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886839962 592361437 /nfs/dbraw/zinc/36/14/37/592361437.db2.gz PSHWZNKMOSQZAH-RGDJUOJXSA-N 2 1 238.375 1.389 20 0 BDADMP CC(C)NC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000221875063 592455581 /nfs/dbraw/zinc/45/55/81/592455581.db2.gz LSUBJDZFZCKWDY-UHFFFAOYSA-N 2 1 214.357 1.239 20 0 BDADMP C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1[NH3+] ZINC000300050293 592501335 /nfs/dbraw/zinc/50/13/35/592501335.db2.gz YJAKJTKXJJIJDR-MWLCHTKSSA-N 2 1 210.346 1.570 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1[NH3+] ZINC000300050293 592501337 /nfs/dbraw/zinc/50/13/37/592501337.db2.gz YJAKJTKXJJIJDR-MWLCHTKSSA-N 2 1 210.346 1.570 20 0 BDADMP CC1CC[NH+](Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000887421441 592503768 /nfs/dbraw/zinc/50/37/68/592503768.db2.gz RUVJKRSBZJSLPI-ZDUSSCGKSA-N 2 1 249.362 1.044 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000925705102 634385584 /nfs/dbraw/zinc/38/55/84/634385584.db2.gz HSNVMROVTDAQES-VIRABCJISA-N 3 1 247.386 1.792 20 0 BDADMP C[C@H]([NH3+])[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000925705102 634385585 /nfs/dbraw/zinc/38/55/85/634385585.db2.gz HSNVMROVTDAQES-VIRABCJISA-N 2 1 247.386 1.792 20 0 BDADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1(F)F ZINC000925707372 634391843 /nfs/dbraw/zinc/39/18/43/634391843.db2.gz IATMYEGCETUCKL-WPRPVWTQSA-N 2 1 218.291 1.762 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1COCC1(C)C ZINC000313075185 634446845 /nfs/dbraw/zinc/44/68/45/634446845.db2.gz ITVFBJXWSATILV-LBPRGKRZSA-N 2 1 228.380 1.731 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C12CCC2 ZINC000423372107 634589302 /nfs/dbraw/zinc/58/93/02/634589302.db2.gz HWZGBRNEZHMZRQ-FVCCEPFGSA-N 2 1 238.375 1.674 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000336114447 634605935 /nfs/dbraw/zinc/60/59/35/634605935.db2.gz YBWZZRWREPPRLD-ZDUSSCGKSA-N 2 1 246.358 1.639 20 0 BDADMP C1CC1[C@@H]1OCC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925821787 635399256 /nfs/dbraw/zinc/39/92/56/635399256.db2.gz JCOFDISILCIDSH-NDZBRYDHSA-N 2 1 248.370 1.140 20 0 BDADMP C[C@@H]1CC[C@@H](C)C1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925833735 635478560 /nfs/dbraw/zinc/47/85/60/635478560.db2.gz XLPNAEWDFSVECB-VXGBXAGGSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000925841840 635506254 /nfs/dbraw/zinc/50/62/54/635506254.db2.gz URMSMMBMYJOAQQ-IGQOVBAYSA-N 3 1 237.391 1.106 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000234711333 635559096 /nfs/dbraw/zinc/55/90/96/635559096.db2.gz KIGLPUUYUZVAEZ-UPJWGTAASA-N 2 1 226.364 1.200 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ncc[nH]1 ZINC000124669168 635563971 /nfs/dbraw/zinc/56/39/71/635563971.db2.gz AEDQEIQPDFPNOU-GUBZILKMSA-N 2 1 208.309 1.330 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000925881672 635610756 /nfs/dbraw/zinc/61/07/56/635610756.db2.gz DKSPDDUKLKBKKF-CRWXNKLISA-N 3 1 237.391 1.330 20 0 BDADMP C[C@H](C[NH2+]C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000062077958 631645027 /nfs/dbraw/zinc/64/50/27/631645027.db2.gz SKLMREOACNVWPG-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000848719509 631778135 /nfs/dbraw/zinc/77/81/35/631778135.db2.gz HQXZUHLEJWMJJP-ZJUUUORDSA-N 2 1 223.295 1.580 20 0 BDADMP CC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051919016 632012827 /nfs/dbraw/zinc/01/28/27/632012827.db2.gz SKOPBCDZCMFLMP-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CSC ZINC000934667243 632015179 /nfs/dbraw/zinc/01/51/79/632015179.db2.gz AELDAHGRUNEPPN-SNVBAGLBSA-N 2 1 234.409 1.030 20 0 BDADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCCC1 ZINC000237975122 632055603 /nfs/dbraw/zinc/05/56/03/632055603.db2.gz TVRNGQYGFZXVHA-CQSZACIVSA-N 2 1 240.391 1.756 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000251733593 635707925 /nfs/dbraw/zinc/70/79/25/635707925.db2.gz KLBNTQSJGSGLFE-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309511187 632433992 /nfs/dbraw/zinc/43/39/92/632433992.db2.gz PJBTZBYSNSGAHW-AXFHLTTASA-N 2 1 230.302 1.867 20 0 BDADMP C[NH+]1CCC([NH2+]CCOC2CCC2)CC1 ZINC000309166255 632659335 /nfs/dbraw/zinc/65/93/35/632659335.db2.gz JBIAAUNGJFKSQC-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000310064662 632697928 /nfs/dbraw/zinc/69/79/28/632697928.db2.gz OZNOFEVCEPWIHF-APYLGABCSA-N 2 1 238.375 1.626 20 0 BDADMP CC[N@@H+]1CCCC[C@@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000892461033 632730568 /nfs/dbraw/zinc/73/05/68/632730568.db2.gz XQGOQNSKIZUCST-LLVKDONJSA-N 2 1 249.362 1.654 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000892461033 632730574 /nfs/dbraw/zinc/73/05/74/632730574.db2.gz XQGOQNSKIZUCST-LLVKDONJSA-N 2 1 249.362 1.654 20 0 BDADMP CCNC(NCC[N@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000066243429 632860943 /nfs/dbraw/zinc/86/09/43/632860943.db2.gz RAYIDTVGTAFJLP-GFCCVEGCSA-N 2 1 240.395 1.293 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C[C@H]1CCOc2ccccc21 ZINC000161986425 633015689 /nfs/dbraw/zinc/01/56/89/633015689.db2.gz WAMCJGGJYMBILW-WDEREUQCSA-N 2 1 220.316 1.490 20 0 BDADMP CC[N@H+]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000307776137 633118806 /nfs/dbraw/zinc/11/88/06/633118806.db2.gz PKRZMGYBFUMSPN-UHFFFAOYSA-N 2 1 235.331 1.106 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN(c2nc(N)cc(C)[nH+]2)C1 ZINC000892731101 633205506 /nfs/dbraw/zinc/20/55/06/633205506.db2.gz VJXDXWNAGJPBDX-LLVKDONJSA-N 2 1 249.362 1.288 20 0 BDADMP CC(C)(C)C[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925507347 633840971 /nfs/dbraw/zinc/84/09/71/633840971.db2.gz XZQZSQPFKYKYAV-MNOVXSKESA-N 2 1 228.380 1.514 20 0 BDADMP Cc1[nH+]ccn1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925533443 633930245 /nfs/dbraw/zinc/93/02/45/633930245.db2.gz BHTPZGTZAOWHSU-ZDUSSCGKSA-N 2 1 248.374 1.456 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982837 634026559 /nfs/dbraw/zinc/02/65/59/634026559.db2.gz ADCSSJBCUMGZCA-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309982913 634057605 /nfs/dbraw/zinc/05/76/05/634057605.db2.gz DLYHBDMPNPNMSB-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309982913 634057609 /nfs/dbraw/zinc/05/76/09/634057609.db2.gz DLYHBDMPNPNMSB-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925611127 634149911 /nfs/dbraw/zinc/14/99/11/634149911.db2.gz KLLFSVNVZMWUOO-QWHCGFSZSA-N 2 1 240.391 1.802 20 0 BDADMP CC(C)(CO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925614197 634156991 /nfs/dbraw/zinc/15/69/91/634156991.db2.gz BQOSKQWCSGGBLG-NSHDSACASA-N 2 1 226.364 1.269 20 0 BDADMP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925675980 634264958 /nfs/dbraw/zinc/26/49/58/634264958.db2.gz KNVLHZLNBYARLT-WDEREUQCSA-N 2 1 212.337 1.286 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925684015 634289340 /nfs/dbraw/zinc/28/93/40/634289340.db2.gz CYSUFQWONDGZHW-LBPRGKRZSA-N 2 1 239.407 1.591 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000925687293 634302968 /nfs/dbraw/zinc/30/29/68/634302968.db2.gz IEPPREMUFPBOBV-TUAOUCFPSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925692419 634324928 /nfs/dbraw/zinc/32/49/28/634324928.db2.gz KEWZFYPOOSXSCC-FVCCEPFGSA-N 2 1 226.364 1.673 20 0 BDADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000925692616 634325751 /nfs/dbraw/zinc/32/57/51/634325751.db2.gz NHGZYUZJGLWNSO-VZANTVGXSA-N 3 1 237.391 1.234 20 0 BDADMP CC[C@@H](CO)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316358 634336096 /nfs/dbraw/zinc/33/60/96/634336096.db2.gz HSRLQYJNLPTAPQ-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@H](CO)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316358 634336104 /nfs/dbraw/zinc/33/61/04/634336104.db2.gz HSRLQYJNLPTAPQ-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@H](CO)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931316358 634336112 /nfs/dbraw/zinc/33/61/12/634336112.db2.gz HSRLQYJNLPTAPQ-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@H](CO)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931316358 634336116 /nfs/dbraw/zinc/33/61/16/634336116.db2.gz HSRLQYJNLPTAPQ-RWMBFGLXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)O1 ZINC000925695992 634352120 /nfs/dbraw/zinc/35/21/20/634352120.db2.gz RZYKTUFPXCGKQU-OUAUKWLOSA-N 2 1 212.337 1.284 20 0 BDADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000925700365 634367955 /nfs/dbraw/zinc/36/79/55/634367955.db2.gz SIYGGLDMNWIWJW-RQJABVFESA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ncc[nH]1 ZINC000925701352 634375263 /nfs/dbraw/zinc/37/52/63/634375263.db2.gz XZNRWJFBYXIGJA-SNVBAGLBSA-N 2 1 242.326 1.864 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925771664 635210465 /nfs/dbraw/zinc/21/04/65/635210465.db2.gz COZMYDIXAZNZCS-RYUDHWBXSA-N 2 1 238.375 1.676 20 0 BDADMP CCc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000259094095 635239054 /nfs/dbraw/zinc/23/90/54/635239054.db2.gz NSCMTZVWTWIBIX-UHFFFAOYSA-N 2 1 204.317 1.830 20 0 BDADMP c1cnc2ccc(CC[NH2+][C@@H]3CC[NH2+]C3)cc2c1 ZINC000925812487 635369654 /nfs/dbraw/zinc/36/96/54/635369654.db2.gz HSKGZDXTFIDXCH-CQSZACIVSA-N 2 1 241.338 1.729 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000925824722 635415818 /nfs/dbraw/zinc/41/58/18/635415818.db2.gz UYTZWNWYQXJXSB-JHEVNIALSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC(CCO)C2)CC[N@@H+]1C ZINC000898009937 636850277 /nfs/dbraw/zinc/85/02/77/636850277.db2.gz CBOFZMRQGOKCJF-CQLXCSJHSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC(CCO)C2)CC[N@H+]1C ZINC000898009937 636850281 /nfs/dbraw/zinc/85/02/81/636850281.db2.gz CBOFZMRQGOKCJF-CQLXCSJHSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000231459706 636940576 /nfs/dbraw/zinc/94/05/76/636940576.db2.gz WLFMADUMAQMEKR-GFCCVEGCSA-N 2 1 249.358 1.670 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CCCOCC1)C[NH+](C)C ZINC000926958065 636971008 /nfs/dbraw/zinc/97/10/08/636971008.db2.gz DVSBBJOFYUKWBI-OLZOCXBDSA-N 2 1 244.379 1.112 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCC1(C)C)C[NH+](C)C ZINC000926957380 636971469 /nfs/dbraw/zinc/97/14/69/636971469.db2.gz APDPOYRICRZSQE-VXGBXAGGSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCC1(C)C)C[NH+](C)C ZINC000926957377 636971635 /nfs/dbraw/zinc/97/16/35/636971635.db2.gz APDPOYRICRZSQE-NEPJUHHUSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@H]1C(C)C)C[NH+](C)C ZINC000926964201 636974262 /nfs/dbraw/zinc/97/42/62/636974262.db2.gz WQLXETHQALMKBY-RDBSUJKOSA-N 2 1 242.407 1.977 20 0 BDADMP OCC[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000042409293 637230554 /nfs/dbraw/zinc/23/05/54/637230554.db2.gz IPNQWLKXQLRVAI-CYBMUJFWSA-N 2 1 226.364 1.365 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000042424614 637244802 /nfs/dbraw/zinc/24/48/02/637244802.db2.gz YURUCXLARRCQRD-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CCC[N@@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725265 637378698 /nfs/dbraw/zinc/37/86/98/637378698.db2.gz YMSFQXOUNDKHNB-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722942 637380289 /nfs/dbraw/zinc/38/02/89/637380289.db2.gz FKOVVJOQRQGZTQ-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000904442013 637411103 /nfs/dbraw/zinc/41/11/03/637411103.db2.gz CCANBHVXBXOFGZ-UHFFFAOYSA-N 2 1 216.328 1.756 20 0 BDADMP C[C@@H](C[NH2+]CC1([NH3+])CC1)Cc1ccccc1 ZINC000904443154 637411398 /nfs/dbraw/zinc/41/13/98/637411398.db2.gz HRCYCUASJOGRAF-GFCCVEGCSA-N 2 1 218.344 1.946 20 0 BDADMP CC(C)[N@H+](C)Cc1cn(CCC[NH+](C)C)nn1 ZINC000905057882 637591964 /nfs/dbraw/zinc/59/19/64/637591964.db2.gz IGOCXJMZXQDJLL-UHFFFAOYSA-N 2 1 239.367 1.070 20 0 BDADMP CC(C)[N@@H+](C)Cc1cn(CCC[NH+](C)C)nn1 ZINC000905057882 637591970 /nfs/dbraw/zinc/59/19/70/637591970.db2.gz IGOCXJMZXQDJLL-UHFFFAOYSA-N 2 1 239.367 1.070 20 0 BDADMP CCC[C@@H](C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905422871 637805265 /nfs/dbraw/zinc/80/52/65/637805265.db2.gz JSCCSVWUTYZFRC-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@@H](C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905422871 637805271 /nfs/dbraw/zinc/80/52/71/637805271.db2.gz JSCCSVWUTYZFRC-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP Cn1cc(C[NH2+]C2CC([NH3+])C2)c(C(C)(C)C)n1 ZINC000906509275 638181748 /nfs/dbraw/zinc/18/17/48/638181748.db2.gz FDPUEDGTQLRQAY-UHFFFAOYSA-N 2 1 236.363 1.297 20 0 BDADMP CCCC[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000906528337 638192729 /nfs/dbraw/zinc/19/27/29/638192729.db2.gz YPKZNTHOVLFYPQ-UHFFFAOYSA-N 2 1 214.353 1.223 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167425605 638594300 /nfs/dbraw/zinc/59/43/00/638594300.db2.gz YFMPHPQYRMLXTO-JQWIXIFHSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](C1CC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904788 639979911 /nfs/dbraw/zinc/97/99/11/639979911.db2.gz VZUOLPCKWQLTRC-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](C1CC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904788 639979919 /nfs/dbraw/zinc/97/99/19/639979919.db2.gz VZUOLPCKWQLTRC-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931282789 640121913 /nfs/dbraw/zinc/12/19/13/640121913.db2.gz ZMKAZJHRFBRPTN-WDNDVIMCSA-N 2 1 240.391 1.541 20 0 BDADMP CCOC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277566 640127876 /nfs/dbraw/zinc/12/78/76/640127876.db2.gz LMFBOICRMXKBPB-TWASESMYSA-N 2 1 238.375 1.293 20 0 BDADMP CCOC1CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277566 640127886 /nfs/dbraw/zinc/12/78/86/640127886.db2.gz LMFBOICRMXKBPB-TWASESMYSA-N 2 1 238.375 1.293 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC3CCOCC3)C[C@H]21 ZINC000931277957 640130718 /nfs/dbraw/zinc/13/07/18/640130718.db2.gz SUMRDHIKWSJQMA-WDNDVIMCSA-N 2 1 238.375 1.295 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC3CCOCC3)C[C@H]21 ZINC000931277957 640130724 /nfs/dbraw/zinc/13/07/24/640130724.db2.gz SUMRDHIKWSJQMA-WDNDVIMCSA-N 2 1 238.375 1.295 20 0 BDADMP CCO[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C1CC1 ZINC000931281170 640135386 /nfs/dbraw/zinc/13/53/86/640135386.db2.gz PKXMXWZFWTUSCK-RFQIPJPRSA-N 2 1 238.375 1.293 20 0 BDADMP CCO[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C1CC1 ZINC000931281170 640135394 /nfs/dbraw/zinc/13/53/94/640135394.db2.gz PKXMXWZFWTUSCK-RFQIPJPRSA-N 2 1 238.375 1.293 20 0 BDADMP COC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312726 640141306 /nfs/dbraw/zinc/14/13/06/640141306.db2.gz YVCKSSFLFOAMOV-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312726 640141310 /nfs/dbraw/zinc/14/13/10/640141310.db2.gz YVCKSSFLFOAMOV-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931312726 640141315 /nfs/dbraw/zinc/14/13/15/640141315.db2.gz YVCKSSFLFOAMOV-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP COC[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931312726 640141321 /nfs/dbraw/zinc/14/13/21/640141321.db2.gz YVCKSSFLFOAMOV-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H]3CCCO3)C[C@]2(C)C1 ZINC000931305804 640141864 /nfs/dbraw/zinc/14/18/64/640141864.db2.gz DNKGIWCGHCJSLN-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H]3CCCO3)C[C@]2(C)C1 ZINC000931305804 640141872 /nfs/dbraw/zinc/14/18/72/640141872.db2.gz DNKGIWCGHCJSLN-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H]3CCCO3)C[C@]2(C)C1 ZINC000931305804 640141877 /nfs/dbraw/zinc/14/18/77/640141877.db2.gz DNKGIWCGHCJSLN-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H]3CCCO3)C[C@]2(C)C1 ZINC000931305804 640141880 /nfs/dbraw/zinc/14/18/80/640141880.db2.gz DNKGIWCGHCJSLN-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP CCOCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310989 640146884 /nfs/dbraw/zinc/14/68/84/640146884.db2.gz NEILWTZPHGLHCV-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP COCC(COC)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356612 640170417 /nfs/dbraw/zinc/17/04/17/640170417.db2.gz LLHVIZXQVDMRFJ-UHFFFAOYSA-N 2 1 244.379 1.064 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nn1C ZINC000931433716 640201609 /nfs/dbraw/zinc/20/16/09/640201609.db2.gz FVPMLWYHSCNPSH-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nn1C ZINC000931433716 640201611 /nfs/dbraw/zinc/20/16/11/640201611.db2.gz FVPMLWYHSCNPSH-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)nn1C ZINC000931433716 640201614 /nfs/dbraw/zinc/20/16/14/640201614.db2.gz FVPMLWYHSCNPSH-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)nn1C ZINC000931433716 640201616 /nfs/dbraw/zinc/20/16/16/640201616.db2.gz FVPMLWYHSCNPSH-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2CN(C)CC3)C1 ZINC000931719621 640334476 /nfs/dbraw/zinc/33/44/76/640334476.db2.gz WJFUOLYMRPYCEJ-YIYPIFLZSA-N 2 1 238.375 1.722 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC000164394448 640473905 /nfs/dbraw/zinc/47/39/05/640473905.db2.gz YBIGQAITPGRAMU-WQIRFENWSA-N 2 1 214.740 1.798 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[S@@](=O)CC)[C@H](C)C1 ZINC000167524799 640724693 /nfs/dbraw/zinc/72/46/93/640724693.db2.gz JZSUWLASCDORPU-BFQNTYOBSA-N 2 1 246.420 1.075 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[S@@](=O)CC)[C@H](C)C1 ZINC000167524799 640724696 /nfs/dbraw/zinc/72/46/96/640724696.db2.gz JZSUWLASCDORPU-BFQNTYOBSA-N 2 1 246.420 1.075 20 0 BDADMP CC(C)OCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732902 640756786 /nfs/dbraw/zinc/75/67/86/640756786.db2.gz WBUCABSIQPKJIF-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732902 640756795 /nfs/dbraw/zinc/75/67/95/640756795.db2.gz WBUCABSIQPKJIF-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732902 640756806 /nfs/dbraw/zinc/75/68/06/640756806.db2.gz WBUCABSIQPKJIF-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732902 640756813 /nfs/dbraw/zinc/75/68/13/640756813.db2.gz WBUCABSIQPKJIF-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccno1 ZINC000226441370 640765279 /nfs/dbraw/zinc/76/52/79/640765279.db2.gz OSMHFUXFXLYQEW-FGWVZKOKSA-N 2 1 221.304 1.519 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccno1 ZINC000226441370 640765280 /nfs/dbraw/zinc/76/52/80/640765280.db2.gz OSMHFUXFXLYQEW-FGWVZKOKSA-N 2 1 221.304 1.519 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000226677871 640788789 /nfs/dbraw/zinc/78/87/89/640788789.db2.gz WJHQODOVYKYTOF-DZGCQCFKSA-N 2 1 248.370 1.651 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000226979948 640807917 /nfs/dbraw/zinc/80/79/17/640807917.db2.gz WKJOTVVNGGDGPP-ZBKLQPJUSA-N 2 1 216.328 1.980 20 0 BDADMP Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)nc(C)[nH+]1 ZINC000227076360 640812973 /nfs/dbraw/zinc/81/29/73/640812973.db2.gz LQCMOEKXANSVGH-KWQFWETISA-N 2 1 220.320 1.267 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000227337187 640829187 /nfs/dbraw/zinc/82/91/87/640829187.db2.gz CBTMESAILZACTP-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP Cn1cc(CC[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000230774787 641094078 /nfs/dbraw/zinc/09/40/78/641094078.db2.gz JGUCMUSYDYETLN-CYBMUJFWSA-N 2 1 236.363 1.166 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000062862725 641100556 /nfs/dbraw/zinc/10/05/56/641100556.db2.gz FXVFGHRGBONARJ-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121066 641134786 /nfs/dbraw/zinc/13/47/86/641134786.db2.gz PNHMSFACWKJNIA-LLVKDONJSA-N 2 1 242.363 1.069 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(C)=O)C1 ZINC000173782765 641200144 /nfs/dbraw/zinc/20/01/44/641200144.db2.gz UYIAOQLLSFTDRM-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(C)=O)C1 ZINC000173782765 641200162 /nfs/dbraw/zinc/20/01/62/641200162.db2.gz UYIAOQLLSFTDRM-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)nc1 ZINC000088135767 641317874 /nfs/dbraw/zinc/31/78/74/641317874.db2.gz DOYJDQWSQHGNIH-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)nc1 ZINC000088135767 641317877 /nfs/dbraw/zinc/31/78/77/641317877.db2.gz DOYJDQWSQHGNIH-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC000311660147 641361023 /nfs/dbraw/zinc/36/10/23/641361023.db2.gz FYPDVVBHRKASPD-LLVKDONJSA-N 2 1 223.320 1.333 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC000311660147 641361018 /nfs/dbraw/zinc/36/10/18/641361018.db2.gz FYPDVVBHRKASPD-LLVKDONJSA-N 2 1 223.320 1.333 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000759342136 641421116 /nfs/dbraw/zinc/42/11/16/641421116.db2.gz LTHQCPPZAPFUHO-MJBXVCDLSA-N 2 1 240.391 1.469 20 0 BDADMP CC1CCN(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089150328 641476944 /nfs/dbraw/zinc/47/69/44/641476944.db2.gz RATBHAAOKKUAFI-KBPBESRZSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@@H+](CCNC(=O)CCCCC[NH3+])C1CC1 ZINC000155641901 641577099 /nfs/dbraw/zinc/57/70/99/641577099.db2.gz CRAJPUMVJIJETN-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000158316100 641628690 /nfs/dbraw/zinc/62/86/90/641628690.db2.gz UIHAZPIBSBWEDT-NSHDSACASA-N 2 1 235.331 1.261 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000158316100 641628694 /nfs/dbraw/zinc/62/86/94/641628694.db2.gz UIHAZPIBSBWEDT-NSHDSACASA-N 2 1 235.331 1.261 20 0 BDADMP Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(N)[nH+]1 ZINC000049390771 641717429 /nfs/dbraw/zinc/71/74/29/641717429.db2.gz PSGNQFLBBHTNJO-NSHDSACASA-N 2 1 249.362 1.509 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCO1 ZINC000154750035 642223202 /nfs/dbraw/zinc/22/32/02/642223202.db2.gz YNICHUCADAMHMV-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+](C[C@@H](O)CC(F)(F)F)C1(C[NH3+])CCC1 ZINC000307936746 642350210 /nfs/dbraw/zinc/35/02/10/642350210.db2.gz JDFVUBWRXOELHS-QMMMGPOBSA-N 2 1 240.269 1.113 20 0 BDADMP C[N@@H+](C[C@@H](O)CC(F)(F)F)C1(C[NH3+])CCC1 ZINC000307936746 642350215 /nfs/dbraw/zinc/35/02/15/642350215.db2.gz JDFVUBWRXOELHS-QMMMGPOBSA-N 2 1 240.269 1.113 20 0 BDADMP CCC[N@@H+](CC1CC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233033334 642646042 /nfs/dbraw/zinc/64/60/42/642646042.db2.gz YOFWXXXLTIPVQT-YPMHNXCESA-N 2 1 210.365 1.964 20 0 BDADMP CCCCOC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170897 642987032 /nfs/dbraw/zinc/98/70/32/642987032.db2.gz VOQBOJZJNJLDLG-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP CCCCOC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170897 642987041 /nfs/dbraw/zinc/98/70/41/642987041.db2.gz VOQBOJZJNJLDLG-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC000082613124 643355999 /nfs/dbraw/zinc/35/59/99/643355999.db2.gz WQVOMKWVCOEMQS-SNVBAGLBSA-N 2 1 210.346 1.714 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CCc1cccs1 ZINC000082613124 643356003 /nfs/dbraw/zinc/35/60/03/643356003.db2.gz WQVOMKWVCOEMQS-SNVBAGLBSA-N 2 1 210.346 1.714 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCCC(C)C ZINC000083052918 643403527 /nfs/dbraw/zinc/40/35/27/643403527.db2.gz CXSISMGODRAKQJ-UHFFFAOYSA-N 2 1 242.411 1.669 20 0 BDADMP COCC[N@@H+](CCC[NH2+]C1CC1)CC(C)C ZINC000042370638 643506834 /nfs/dbraw/zinc/50/68/34/643506834.db2.gz HIVJKEQLFHNPMJ-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]CC[NH3+])C12CCCCC2 ZINC000083532411 643583727 /nfs/dbraw/zinc/58/37/27/643583727.db2.gz LGBVAXGNERNNQC-RYUDHWBXSA-N 2 1 226.364 1.663 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(CCF)c1 ZINC000921619853 643627383 /nfs/dbraw/zinc/62/73/83/643627383.db2.gz QLRMBPCPFUKUSD-LLVKDONJSA-N 2 1 242.342 1.282 20 0 BDADMP C1=CO[C@@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000050269142 643672614 /nfs/dbraw/zinc/67/26/14/643672614.db2.gz IZELUJRURDIXCP-TZMCWYRMSA-N 2 1 236.359 1.753 20 0 BDADMP C1=CO[C@@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000050269140 643673302 /nfs/dbraw/zinc/67/33/02/643673302.db2.gz IZELUJRURDIXCP-GXTWGEPZSA-N 2 1 236.359 1.753 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCO1 ZINC000085015112 643678848 /nfs/dbraw/zinc/67/88/48/643678848.db2.gz QIYPIIQYQCYPKW-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]21 ZINC000230126242 643767784 /nfs/dbraw/zinc/76/77/84/643767784.db2.gz SSFLHKJCCXDLLQ-ADEWGFFLSA-N 2 1 237.372 1.702 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)C[NH+](C)C ZINC000922757267 644088115 /nfs/dbraw/zinc/08/81/15/644088115.db2.gz DAFZHXHUCYVMHN-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C)CC(C)C)C[NH+](C)C ZINC000922756530 644088184 /nfs/dbraw/zinc/08/81/84/644088184.db2.gz KQUMLILCHKTLRE-OLZOCXBDSA-N 2 1 230.396 1.977 20 0 BDADMP CCC[C@@H](O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000922824745 644100872 /nfs/dbraw/zinc/10/08/72/644100872.db2.gz ILFSNBAEYCWJAA-GFCCVEGCSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[C@H](O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000922824746 644101289 /nfs/dbraw/zinc/10/12/89/644101289.db2.gz ILFSNBAEYCWJAA-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922819518 644108240 /nfs/dbraw/zinc/10/82/40/644108240.db2.gz XXYNZIAHLGYDSN-STQMWFEESA-N 2 1 242.407 2.000 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1 ZINC000086495089 644143175 /nfs/dbraw/zinc/14/31/75/644143175.db2.gz XUAAZOFHEIXQLM-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCCCCC1 ZINC000321708940 644153429 /nfs/dbraw/zinc/15/34/29/644153429.db2.gz CTPQUVYAYWQQLK-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP Cc1ccc(NCC[NH2+]C2CC[NH+](C)CC2)nc1 ZINC000922933526 644192401 /nfs/dbraw/zinc/19/24/01/644192401.db2.gz KTOOETASAYKGEX-UHFFFAOYSA-N 2 1 248.374 1.486 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000193718762 644275089 /nfs/dbraw/zinc/27/50/89/644275089.db2.gz XMVDQOFVKXEXMG-CYBMUJFWSA-N 2 1 224.348 1.705 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923280142 644312685 /nfs/dbraw/zinc/31/26/85/644312685.db2.gz GZIOKRKKVTXDHD-LLVKDONJSA-N 2 1 237.347 1.716 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923280142 644312690 /nfs/dbraw/zinc/31/26/90/644312690.db2.gz GZIOKRKKVTXDHD-LLVKDONJSA-N 2 1 237.347 1.716 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923281916 644314422 /nfs/dbraw/zinc/31/44/22/644314422.db2.gz JJEZVCWWSNXJMG-KBPBESRZSA-N 2 1 242.407 1.988 20 0 BDADMP Cc1ccc([C@@H](O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000923290110 644324455 /nfs/dbraw/zinc/32/44/55/644324455.db2.gz BOYZUKNUBWISJG-ZDUSSCGKSA-N 2 1 222.332 1.309 20 0 BDADMP C[N@H+](CCC[NH3+])C[C@@H](O)c1ccc(F)cc1F ZINC000923290752 644325961 /nfs/dbraw/zinc/32/59/61/644325961.db2.gz KHLCNOMOEQDZMY-GFCCVEGCSA-N 2 1 244.285 1.279 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H](O)c1ccc(F)cc1F ZINC000923290752 644325963 /nfs/dbraw/zinc/32/59/63/644325963.db2.gz KHLCNOMOEQDZMY-GFCCVEGCSA-N 2 1 244.285 1.279 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299981 644326590 /nfs/dbraw/zinc/32/65/90/644326590.db2.gz KMUILTYWRCTQLR-FRRDWIJNSA-N 2 1 238.375 1.628 20 0 BDADMP CCc1onc(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294928 644333720 /nfs/dbraw/zinc/33/37/20/644333720.db2.gz QNTIDPNFLGTYPS-UHFFFAOYSA-N 2 1 239.363 1.962 20 0 BDADMP CCc1onc(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294928 644333722 /nfs/dbraw/zinc/33/37/22/644333722.db2.gz QNTIDPNFLGTYPS-UHFFFAOYSA-N 2 1 239.363 1.962 20 0 BDADMP CCOCC[C@@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923296256 644335867 /nfs/dbraw/zinc/33/58/67/644335867.db2.gz DPGSWWHIONYWAR-CHWSQXEVSA-N 2 1 246.395 1.079 20 0 BDADMP CCCC[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298690 644336881 /nfs/dbraw/zinc/33/68/81/644336881.db2.gz DSLNGLUZLPDASN-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307828 644337124 /nfs/dbraw/zinc/33/71/24/644337124.db2.gz WXMVJERVKQJWGU-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CC1CCCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308267 644338000 /nfs/dbraw/zinc/33/80/00/644338000.db2.gz AXKPGAXIHZRJQV-ZDUSSCGKSA-N 2 1 238.375 1.487 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307827 644338768 /nfs/dbraw/zinc/33/87/68/644338768.db2.gz WXMVJERVKQJWGU-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CCC1CCOCC1 ZINC000923313332 644341081 /nfs/dbraw/zinc/34/10/81/644341081.db2.gz FIQYXOKENUBUBB-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)Cc1cccc(O)c1 ZINC000923303477 644341473 /nfs/dbraw/zinc/34/14/73/644341473.db2.gz CXULKHTWQOIRCT-UHFFFAOYSA-N 2 1 234.343 1.966 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)Cc1cccc(O)c1 ZINC000923303477 644341477 /nfs/dbraw/zinc/34/14/77/644341477.db2.gz CXULKHTWQOIRCT-UHFFFAOYSA-N 2 1 234.343 1.966 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923330976 644348516 /nfs/dbraw/zinc/34/85/16/644348516.db2.gz DXVNKDXALYSJOP-XDQVBPFNSA-N 2 1 240.391 1.453 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923330972 644349198 /nfs/dbraw/zinc/34/91/98/644349198.db2.gz DXVNKDXALYSJOP-FQUUOJAGSA-N 2 1 240.391 1.453 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923330974 644350541 /nfs/dbraw/zinc/35/05/41/644350541.db2.gz DXVNKDXALYSJOP-IGQOVBAYSA-N 2 1 240.391 1.453 20 0 BDADMP c1c[nH]c(C2CC[NH+](CCC[NH2+]C3CC3)CC2)n1 ZINC000923324286 644351518 /nfs/dbraw/zinc/35/15/18/644351518.db2.gz RYRJHEXZWWGDSP-UHFFFAOYSA-N 2 1 248.374 1.731 20 0 BDADMP C[C@H]1C[C@@H](N(C)CCC[NH2+]C2CC2)CC[N@H+]1C ZINC000923324340 644351744 /nfs/dbraw/zinc/35/17/44/644351744.db2.gz FKXSEZODCNLUIZ-JSGCOSHPSA-N 2 1 239.407 1.543 20 0 BDADMP c1cc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)n[nH]1 ZINC000923323681 644352440 /nfs/dbraw/zinc/35/24/40/644352440.db2.gz JXRZPVBJAXBOBX-UHFFFAOYSA-N 2 1 248.374 1.731 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000923332032 644360807 /nfs/dbraw/zinc/36/08/07/644360807.db2.gz OJGMEXIIZWDACK-VHSXEESVSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000923332032 644360812 /nfs/dbraw/zinc/36/08/12/644360812.db2.gz OJGMEXIIZWDACK-VHSXEESVSA-N 2 1 223.320 1.406 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923350081 644361980 /nfs/dbraw/zinc/36/19/80/644361980.db2.gz ZQJQOPHFHHNUMD-LBPRGKRZSA-N 3 1 225.380 1.189 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923357473 644364651 /nfs/dbraw/zinc/36/46/51/644364651.db2.gz OBHFNQRVTBZYBV-QWHCGFSZSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923357473 644364655 /nfs/dbraw/zinc/36/46/55/644364655.db2.gz OBHFNQRVTBZYBV-QWHCGFSZSA-N 2 1 228.380 1.453 20 0 BDADMP CCOCCOCC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923346451 644364720 /nfs/dbraw/zinc/36/47/20/644364720.db2.gz XZPOOYSZNRGUBX-OLZOCXBDSA-N 2 1 244.379 1.099 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000923355220 644371047 /nfs/dbraw/zinc/37/10/47/644371047.db2.gz HVGVPKSIQWIMPU-GJZGRUSLSA-N 2 1 248.370 1.699 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923355806 644371650 /nfs/dbraw/zinc/37/16/50/644371650.db2.gz OGIAGOAKHYNXBF-HUUCEWRRSA-N 2 1 248.370 1.261 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1[NH3+] ZINC000923365004 644374721 /nfs/dbraw/zinc/37/47/21/644374721.db2.gz BWLXAWGXSLDHSM-SNPRPXQTSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1[NH3+] ZINC000923365004 644374729 /nfs/dbraw/zinc/37/47/29/644374729.db2.gz BWLXAWGXSLDHSM-SNPRPXQTSA-N 2 1 248.370 1.259 20 0 BDADMP CCOCCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923368381 644380513 /nfs/dbraw/zinc/38/05/13/644380513.db2.gz BLYHUBLAQXVJQS-JHJVBQTASA-N 2 1 244.379 1.016 20 0 BDADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C1CC([NH3+])C1 ZINC000923361637 644386475 /nfs/dbraw/zinc/38/64/75/644386475.db2.gz JLCOTGSFWGHCHO-YMAMQOFZSA-N 2 1 248.370 1.402 20 0 BDADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CC([NH3+])C1 ZINC000923363063 644389233 /nfs/dbraw/zinc/38/92/33/644389233.db2.gz QJHMMZMSWNXQQT-WXRRBKDZSA-N 2 1 238.306 1.281 20 0 BDADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CC([NH3+])C1 ZINC000923363063 644389237 /nfs/dbraw/zinc/38/92/37/644389237.db2.gz QJHMMZMSWNXQQT-WXRRBKDZSA-N 2 1 238.306 1.281 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363142 644389445 /nfs/dbraw/zinc/38/94/45/644389445.db2.gz VIMJZSKCPQZKTR-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000923386803 644399607 /nfs/dbraw/zinc/39/96/07/644399607.db2.gz RVYRMZKDKWCTRJ-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000923386803 644399609 /nfs/dbraw/zinc/39/96/09/644399609.db2.gz RVYRMZKDKWCTRJ-STQMWFEESA-N 2 1 224.348 1.382 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923388814 644403075 /nfs/dbraw/zinc/40/30/75/644403075.db2.gz JRFWUQNDKNCCQX-RDBSUJKOSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923388814 644403083 /nfs/dbraw/zinc/40/30/83/644403083.db2.gz JRFWUQNDKNCCQX-RDBSUJKOSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408888 644411531 /nfs/dbraw/zinc/41/15/31/644411531.db2.gz INMQWKDIRDUPFT-WODVXLOZSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CN(C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408888 644411537 /nfs/dbraw/zinc/41/15/37/644411537.db2.gz INMQWKDIRDUPFT-WODVXLOZSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](N)C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408888 644411542 /nfs/dbraw/zinc/41/15/42/644411542.db2.gz INMQWKDIRDUPFT-WODVXLOZSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](N)C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408888 644411545 /nfs/dbraw/zinc/41/15/45/644411545.db2.gz INMQWKDIRDUPFT-WODVXLOZSA-N 2 1 225.380 1.186 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923412006 644415255 /nfs/dbraw/zinc/41/52/55/644415255.db2.gz VONUYMRGNSZQCA-VXGBXAGGSA-N 2 1 216.369 1.597 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923412006 644415258 /nfs/dbraw/zinc/41/52/58/644415258.db2.gz VONUYMRGNSZQCA-VXGBXAGGSA-N 2 1 216.369 1.597 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923423206 644420626 /nfs/dbraw/zinc/42/06/26/644420626.db2.gz WBHRPDSBGLVKRQ-NEPJUHHUSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923428694 644421115 /nfs/dbraw/zinc/42/11/15/644421115.db2.gz QGWOPYODMRKVCZ-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923420121 644424064 /nfs/dbraw/zinc/42/40/64/644424064.db2.gz GLNNKOFSCPGVTO-NEPJUHHUSA-N 2 1 237.347 1.761 20 0 BDADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000923482236 644458787 /nfs/dbraw/zinc/45/87/87/644458787.db2.gz XVWXWEGMZCIVTJ-WDEREUQCSA-N 2 1 223.320 1.715 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000923482392 644460262 /nfs/dbraw/zinc/46/02/62/644460262.db2.gz ZKFMZOUGQXIPHR-CQSZACIVSA-N 2 1 233.359 1.685 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nc1 ZINC000923495536 644461072 /nfs/dbraw/zinc/46/10/72/644461072.db2.gz BZFJDAHFQANYCJ-CHWSQXEVSA-N 2 1 233.359 1.807 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495162 644461196 /nfs/dbraw/zinc/46/11/96/644461196.db2.gz UQSFFYIFNFYUEG-MNOVXSKESA-N 2 1 237.347 1.654 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923485469 644461754 /nfs/dbraw/zinc/46/17/54/644461754.db2.gz SBYZGFIUSHCZFX-LLVKDONJSA-N 2 1 219.332 1.440 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495703 644462051 /nfs/dbraw/zinc/46/20/51/644462051.db2.gz FCWSKFVIZOZFCW-OLZOCXBDSA-N 2 1 228.380 1.720 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484838 644462651 /nfs/dbraw/zinc/46/26/51/644462651.db2.gz OJNHPELYUOSTQX-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP Cc1csc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923496270 644463274 /nfs/dbraw/zinc/46/32/74/644463274.db2.gz GZFRICQRBJSPEQ-KOLCDFICSA-N 2 1 239.388 1.868 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490687 644464700 /nfs/dbraw/zinc/46/47/00/644464700.db2.gz OQKOZSFCUVXNQP-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490962 644465461 /nfs/dbraw/zinc/46/54/61/644465461.db2.gz PJTLIJUBLWJQHB-LPWJVIDDSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923490072 644465501 /nfs/dbraw/zinc/46/55/01/644465501.db2.gz AQFHNNUCTBZRNV-BPLDGKMQSA-N 2 1 248.370 1.637 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492926 644466989 /nfs/dbraw/zinc/46/69/89/644466989.db2.gz ZMMCLKNNUKLUJP-GXSJLCMTSA-N 2 1 223.320 1.400 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491975 644468729 /nfs/dbraw/zinc/46/87/29/644468729.db2.gz LODROAWEJYRNKU-RNJOBUHISA-N 2 1 210.365 1.949 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493932 644469841 /nfs/dbraw/zinc/46/98/41/644469841.db2.gz JKESLHVMBBOWDW-YPMHNXCESA-N 2 1 233.359 1.807 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729641 644470544 /nfs/dbraw/zinc/47/05/44/644470544.db2.gz AOUVOMDMKBYDLQ-HIFPTAJRSA-N 3 1 227.396 1.576 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1C[NH3+] ZINC000923501991 644471179 /nfs/dbraw/zinc/47/11/79/644471179.db2.gz VFHCPKDVZLWQPY-AAEUAGOBSA-N 2 1 219.332 1.498 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000923515801 644480378 /nfs/dbraw/zinc/48/03/78/644480378.db2.gz MLYAOGJLOALRPT-NWDGAFQWSA-N 2 1 235.331 1.333 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000923515801 644480385 /nfs/dbraw/zinc/48/03/85/644480385.db2.gz MLYAOGJLOALRPT-NWDGAFQWSA-N 2 1 235.331 1.333 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCC1 ZINC000923516233 644480737 /nfs/dbraw/zinc/48/07/37/644480737.db2.gz WEVXTSBAFMPSQU-MJBXVCDLSA-N 2 1 238.375 1.343 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534072 644489401 /nfs/dbraw/zinc/48/94/01/644489401.db2.gz NMTIWFYGYRPUJX-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534072 644489408 /nfs/dbraw/zinc/48/94/08/644489408.db2.gz NMTIWFYGYRPUJX-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H]1CCCO1 ZINC000923533348 644490775 /nfs/dbraw/zinc/49/07/75/644490775.db2.gz KMNWAUWWGQIBFU-UONOGXRCSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H]1CCCO1 ZINC000923533348 644490779 /nfs/dbraw/zinc/49/07/79/644490779.db2.gz KMNWAUWWGQIBFU-UONOGXRCSA-N 2 1 238.375 1.774 20 0 BDADMP [NH3+]CC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549228 644496022 /nfs/dbraw/zinc/49/60/22/644496022.db2.gz GLTJZVWEAVMMTC-LBPRGKRZSA-N 2 1 212.337 1.084 20 0 BDADMP [NH3+]CC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549228 644496027 /nfs/dbraw/zinc/49/60/27/644496027.db2.gz GLTJZVWEAVMMTC-LBPRGKRZSA-N 2 1 212.337 1.084 20 0 BDADMP CCOCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000087977986 644506770 /nfs/dbraw/zinc/50/67/70/644506770.db2.gz JYASCLKCJUHNKJ-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250354580 644753725 /nfs/dbraw/zinc/75/37/25/644753725.db2.gz RXUXWUGHCRYSTH-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250354580 644753729 /nfs/dbraw/zinc/75/37/29/644753729.db2.gz RXUXWUGHCRYSTH-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000252195233 644842888 /nfs/dbraw/zinc/84/28/88/644842888.db2.gz SGJUUVQIRBKANC-LPWJVIDDSA-N 2 1 210.365 1.962 20 0 BDADMP CCCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564249 644866430 /nfs/dbraw/zinc/86/64/30/644866430.db2.gz XVCJRYYZJSOVHE-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564249 644866432 /nfs/dbraw/zinc/86/64/32/644866432.db2.gz XVCJRYYZJSOVHE-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000843129228 645267230 /nfs/dbraw/zinc/26/72/30/645267230.db2.gz ODOVNQMOPQKLCE-HTQZYQBOSA-N 2 1 244.770 1.597 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000926616673 645317922 /nfs/dbraw/zinc/31/79/22/645317922.db2.gz KLHSRCQKMXIMKL-VDLCZYCISA-N 2 1 220.360 1.715 20 0 BDADMP c1n[nH]c2c1[C@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000844925535 645350154 /nfs/dbraw/zinc/35/01/54/645350154.db2.gz RAGIOCPWBQSKGJ-CYBMUJFWSA-N 2 1 248.374 1.766 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOC(F)F)[C@H]1CC[NH3+] ZINC000852753651 645488256 /nfs/dbraw/zinc/48/82/56/645488256.db2.gz PXGDLKNLCYGIPX-UWVGGRQHSA-N 2 1 236.306 1.675 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C(C)C)C1CC1)C[NH+](C)C ZINC000926965721 645501325 /nfs/dbraw/zinc/50/13/25/645501325.db2.gz SXTCPVKWBXFVAF-KBPBESRZSA-N 2 1 242.407 1.977 20 0 BDADMP CCC[C@@H](O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000927022325 645524014 /nfs/dbraw/zinc/52/40/14/645524014.db2.gz QMMHLVCAMSIYQH-CQSZACIVSA-N 2 1 240.391 1.754 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000011891377 645651834 /nfs/dbraw/zinc/65/18/34/645651834.db2.gz UJKZQQAKTDPEPC-CYBMUJFWSA-N 2 1 234.343 1.518 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000886839317 645890930 /nfs/dbraw/zinc/89/09/30/645890930.db2.gz BQOJAXVTFLNYHT-HZSPNIEDSA-N 2 1 236.359 1.241 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000886839317 645890931 /nfs/dbraw/zinc/89/09/31/645890931.db2.gz BQOJAXVTFLNYHT-HZSPNIEDSA-N 2 1 236.359 1.241 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccccn1 ZINC000924534916 646052260 /nfs/dbraw/zinc/05/22/60/646052260.db2.gz JEMKBEPHHBXHDS-NNQSOWQGSA-N 2 1 245.370 1.554 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCO1 ZINC000924541022 646061913 /nfs/dbraw/zinc/06/19/13/646061913.db2.gz AGSCJIWISZFGCM-DAAZQVBGSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnnn1C ZINC000924699187 646092694 /nfs/dbraw/zinc/09/26/94/646092694.db2.gz PXOCYZNERKJXQA-SDDRHHMPSA-N 2 1 249.362 1.093 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000924762399 646102902 /nfs/dbraw/zinc/10/29/02/646102902.db2.gz SUWPBRRXEGSCQD-IZXDZPFWSA-N 2 1 238.375 1.220 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924871573 646121857 /nfs/dbraw/zinc/12/18/57/646121857.db2.gz FCDIWUUPBXMDGA-PJXYFTJBSA-N 2 1 237.347 1.452 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924951028 646140527 /nfs/dbraw/zinc/14/05/27/646140527.db2.gz BFFUXYZTDOLELT-RQJABVFESA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@@H](CO)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000929507246 646158960 /nfs/dbraw/zinc/15/89/60/646158960.db2.gz SJEMJSASMCMNFL-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccnnc1 ZINC000925219109 646212338 /nfs/dbraw/zinc/21/23/38/646212338.db2.gz BVSJVTLZLBVXIJ-IACUBPJLSA-N 2 1 248.374 2.000 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC1(C)C ZINC000925392116 646255603 /nfs/dbraw/zinc/25/56/03/646255603.db2.gz CTVWMBKWEHBMHY-DAAZQVBGSA-N 2 1 222.376 1.962 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925478633 646292057 /nfs/dbraw/zinc/29/20/57/646292057.db2.gz VPEKHIXGOHNODF-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486251 646296603 /nfs/dbraw/zinc/29/66/03/646296603.db2.gz GKSBYOUORKPXKW-SDDRHHMPSA-N 2 1 225.380 1.186 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486251 646296609 /nfs/dbraw/zinc/29/66/09/646296609.db2.gz GKSBYOUORKPXKW-SDDRHHMPSA-N 2 1 225.380 1.186 20 0 BDADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925484953 646297832 /nfs/dbraw/zinc/29/78/32/646297832.db2.gz KXHLQSFAYUBKEY-MROQNXINSA-N 2 1 208.349 1.859 20 0 BDADMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925484953 646297834 /nfs/dbraw/zinc/29/78/34/646297834.db2.gz KXHLQSFAYUBKEY-MROQNXINSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)N(C)C ZINC000925490378 646300427 /nfs/dbraw/zinc/30/04/27/646300427.db2.gz BCOWEVCLYDDMBI-GRYCIOLGSA-N 2 1 227.396 1.432 20 0 BDADMP C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[N@@H+](C)C1CC1 ZINC000925497344 646302050 /nfs/dbraw/zinc/30/20/50/646302050.db2.gz VCMQMJLSXLETAL-WCQYABFASA-N 2 1 237.391 1.343 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](CC)CO)C1 ZINC000929777110 646305793 /nfs/dbraw/zinc/30/57/93/646305793.db2.gz AIENVEDEIDPKKG-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCO1 ZINC000925503157 646306417 /nfs/dbraw/zinc/30/64/17/646306417.db2.gz NJIOMJVTLYEUQH-NWDGAFQWSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925522449 646314841 /nfs/dbraw/zinc/31/48/41/646314841.db2.gz RRRAKUVVIINCDK-AGIUHOORSA-N 3 1 241.423 1.822 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925527905 646317566 /nfs/dbraw/zinc/31/75/66/646317566.db2.gz AXSREPSCFIZALH-LBPRGKRZSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C[N@H+]1C1CC1 ZINC000925544279 646323936 /nfs/dbraw/zinc/32/39/36/646323936.db2.gz ZBDDQGOTZYMHOB-ZMJPVWNMSA-N 2 1 249.402 1.471 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925553424 646329478 /nfs/dbraw/zinc/32/94/78/646329478.db2.gz RHYXSSPCLPPLBQ-WXHSDQCUSA-N 2 1 237.391 1.199 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925562143 646336057 /nfs/dbraw/zinc/33/60/57/646336057.db2.gz VIEJQODAFLSXBA-VXGBXAGGSA-N 2 1 226.364 1.412 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)cn1 ZINC000925575051 646341238 /nfs/dbraw/zinc/34/12/38/646341238.db2.gz TZPKEXOXOFMKRR-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000925573412 646341365 /nfs/dbraw/zinc/34/13/65/646341365.db2.gz ACUYXAWWJFUFTA-WCQYABFASA-N 2 1 236.363 1.083 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925579711 646345367 /nfs/dbraw/zinc/34/53/67/646345367.db2.gz GTOPYQFYSUMRPB-STQMWFEESA-N 2 1 240.391 1.658 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)o1 ZINC000925606322 646357040 /nfs/dbraw/zinc/35/70/40/646357040.db2.gz NENYCHOECGDZFM-GFCCVEGCSA-N 2 1 222.332 1.861 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929847192 646358495 /nfs/dbraw/zinc/35/84/95/646358495.db2.gz LUYRGRCWVXRWIU-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929847192 646358497 /nfs/dbraw/zinc/35/84/97/646358497.db2.gz LUYRGRCWVXRWIU-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929847192 646358501 /nfs/dbraw/zinc/35/85/01/646358501.db2.gz LUYRGRCWVXRWIU-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925623132 646369919 /nfs/dbraw/zinc/36/99/19/646369919.db2.gz OYOQWMIQXUICDC-UPJWGTAASA-N 2 1 237.391 1.330 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925635891 646379360 /nfs/dbraw/zinc/37/93/60/646379360.db2.gz USTUZEPLGZKPMB-DCAQKATOSA-N 2 1 212.337 1.020 20 0 BDADMP CC[C@H](CO)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000929961355 646380162 /nfs/dbraw/zinc/38/01/62/646380162.db2.gz LKBHZSIHSPGYGQ-GFCCVEGCSA-N 2 1 214.353 1.220 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925641721 646384753 /nfs/dbraw/zinc/38/47/53/646384753.db2.gz ACHCDSNEFOSQPC-OUAUKWLOSA-N 2 1 224.348 1.020 20 0 BDADMP C1=CO[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925646761 646386491 /nfs/dbraw/zinc/38/64/91/646386491.db2.gz VZNARKSOFUUGJY-OLZOCXBDSA-N 2 1 236.359 1.943 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925646763 646387810 /nfs/dbraw/zinc/38/78/10/646387810.db2.gz VZNARKSOFUUGJY-STQMWFEESA-N 2 1 236.359 1.943 20 0 BDADMP OC1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925665774 646398908 /nfs/dbraw/zinc/39/89/08/646398908.db2.gz NLZOFOIAHAVISF-LBPRGKRZSA-N 2 1 238.375 1.556 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000925671658 646400921 /nfs/dbraw/zinc/40/09/21/646400921.db2.gz SHTXOVCQNMTDIF-LPWJVIDDSA-N 2 1 226.364 1.389 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925674440 646402785 /nfs/dbraw/zinc/40/27/85/646402785.db2.gz JIEMICCLBXHPBV-OLZOCXBDSA-N 2 1 238.375 1.676 20 0 BDADMP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925675533 646404542 /nfs/dbraw/zinc/40/45/42/646404542.db2.gz JBIXGCOQLQVSBC-VHSXEESVSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925680283 646406803 /nfs/dbraw/zinc/40/68/03/646406803.db2.gz PXYPQQQPKUHUQR-SRVKXCTJSA-N 2 1 228.380 1.778 20 0 BDADMP CC(F)(F)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925681918 646409414 /nfs/dbraw/zinc/40/94/14/646409414.db2.gz YRLHFVFFFOLZSE-MRVPVSSYSA-N 2 1 206.280 1.762 20 0 BDADMP COCC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925686413 646412250 /nfs/dbraw/zinc/41/22/50/646412250.db2.gz SWJODAPKNAAYHX-SRVKXCTJSA-N 2 1 214.353 1.389 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H](C)O ZINC000925689350 646415328 /nfs/dbraw/zinc/41/53/28/646415328.db2.gz IDTKKBRRNRDFGW-GARJFASQSA-N 2 1 212.337 1.020 20 0 BDADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925691090 646417231 /nfs/dbraw/zinc/41/72/31/646417231.db2.gz IJTYDZBFTCMEJE-XQQFMLRXSA-N 3 1 239.407 1.482 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925692036 646418166 /nfs/dbraw/zinc/41/81/66/646418166.db2.gz YRAKJEBDCWXDQA-UHTWSYAYSA-N 2 1 248.374 1.824 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925692030 646418561 /nfs/dbraw/zinc/41/85/61/646418561.db2.gz YRAKJEBDCWXDQA-CYZMBNFOSA-N 2 1 248.374 1.824 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925695341 646420208 /nfs/dbraw/zinc/42/02/08/646420208.db2.gz QFMSDNOGXDMRKG-XQQFMLRXSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CS1 ZINC000925697514 646421251 /nfs/dbraw/zinc/42/12/51/646421251.db2.gz OUJZRVKVFNXSHE-OUAUKWLOSA-N 2 1 226.389 1.755 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925697684 646423130 /nfs/dbraw/zinc/42/31/30/646423130.db2.gz HJOHUINQKBAGQL-BNOWGMLFSA-N 3 1 239.407 1.339 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925699896 646423597 /nfs/dbraw/zinc/42/35/97/646423597.db2.gz LVLNDXBKFYQXQT-AAVRWANBSA-N 3 1 239.407 1.482 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1)[NH2+]2 ZINC000925699939 646423935 /nfs/dbraw/zinc/42/39/35/646423935.db2.gz MFYJUDCLQNKWHL-WZBKEBKWSA-N 3 1 237.391 1.375 20 0 BDADMP C[C@@H](COCC1CC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925701964 646424434 /nfs/dbraw/zinc/42/44/34/646424434.db2.gz IRKDUNWWPVYSDV-AAEUAGOBSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccnnc1 ZINC000925702474 646427958 /nfs/dbraw/zinc/42/79/58/646427958.db2.gz ADAGHMJFIULBEV-NSHDSACASA-N 2 1 232.331 1.389 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NCCCCCC[NH3+] ZINC000925707222 646432972 /nfs/dbraw/zinc/43/29/72/646432972.db2.gz DJHVOFSSFDLLJK-NSHDSACASA-N 2 1 213.369 1.236 20 0 BDADMP Cc1ccncc1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925708885 646433240 /nfs/dbraw/zinc/43/32/40/646433240.db2.gz SWZCWSQPHHJTPK-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)[C@H](C)O1 ZINC000925726620 646452591 /nfs/dbraw/zinc/45/25/91/646452591.db2.gz VALKPEAEHQUMIS-RCWTZXSCSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cn1 ZINC000925740327 646462972 /nfs/dbraw/zinc/46/29/72/646462972.db2.gz IWVIDVWXKXKFCR-SECBINFHSA-N 2 1 225.311 1.999 20 0 BDADMP CCC1([NH3+])CCN([C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000925755322 646464902 /nfs/dbraw/zinc/46/49/02/646464902.db2.gz DLRUIPLCCWXFNJ-NEPJUHHUSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925756737 646465309 /nfs/dbraw/zinc/46/53/09/646465309.db2.gz YIUDRPANBAHXMV-MNOVXSKESA-N 2 1 249.358 1.589 20 0 BDADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C[C@H]1CCC[NH+]1C ZINC000930178375 646480347 /nfs/dbraw/zinc/48/03/47/646480347.db2.gz XIVZMWRSPDPRRD-RWMBFGLXSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccco1 ZINC000925790026 646485101 /nfs/dbraw/zinc/48/51/01/646485101.db2.gz FBJCCSFAWDGWHI-VWYCJHECSA-N 2 1 208.305 1.786 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(N(C)C)ccn1 ZINC000925813487 646490715 /nfs/dbraw/zinc/49/07/15/646490715.db2.gz TZNNRAVCJGHRKF-WDEREUQCSA-N 2 1 236.363 1.363 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832843 646501384 /nfs/dbraw/zinc/50/13/84/646501384.db2.gz QDHSHTCGZVIANV-AXTSPUMRSA-N 2 1 236.281 1.915 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925837865 646504563 /nfs/dbraw/zinc/50/45/63/646504563.db2.gz INQYGXPVAWFFPJ-IGQOVBAYSA-N 3 1 237.391 1.378 20 0 BDADMP CC[C@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925850709 646510021 /nfs/dbraw/zinc/51/00/21/646510021.db2.gz VZHCZLVVWVTEIK-ZDUSSCGKSA-N 2 1 227.396 1.450 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCOC1 ZINC000926142649 646584423 /nfs/dbraw/zinc/58/44/23/646584423.db2.gz PCXJCROFNBGKFR-ICIURTGMSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CC=CCC1 ZINC000926338827 646620944 /nfs/dbraw/zinc/62/09/44/646620944.db2.gz XSGJVMUYUGRMRC-YIONKMFJSA-N 2 1 249.402 1.178 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cncs1 ZINC000131615059 711544372 /nfs/dbraw/zinc/54/43/72/711544372.db2.gz ZYKOQOQHZKYGGW-BDAKNGLRSA-N 2 1 211.334 1.088 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1CC[NH3+] ZINC000723887092 711543100 /nfs/dbraw/zinc/54/31/00/711543100.db2.gz QFRKLUXUJZKSIQ-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H](CCO)C2CCCC2)CC1 ZINC000725086172 711650313 /nfs/dbraw/zinc/65/03/13/711650313.db2.gz QHLFWTSYNCAWPJ-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000721963723 711694918 /nfs/dbraw/zinc/69/49/18/711694918.db2.gz LDXYPUIHVWRJTG-MJBXVCDLSA-N 2 1 242.407 1.822 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1(C)C ZINC000399090441 711905389 /nfs/dbraw/zinc/90/53/89/711905389.db2.gz WMRGFFQIVNRSPS-QNWHQSFQSA-N 2 1 240.391 1.920 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)C(C)C ZINC000721912305 711917282 /nfs/dbraw/zinc/91/72/82/711917282.db2.gz LZDLMVPUNDTLHZ-CHWSQXEVSA-N 2 1 228.380 1.576 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000721912307 711917569 /nfs/dbraw/zinc/91/75/69/711917569.db2.gz LZDLMVPUNDTLHZ-OLZOCXBDSA-N 2 1 228.380 1.576 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000721917938 711919551 /nfs/dbraw/zinc/91/95/51/711919551.db2.gz CQPWGOLUZUCBGE-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000721917938 711919554 /nfs/dbraw/zinc/91/95/54/711919554.db2.gz CQPWGOLUZUCBGE-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700809702 712006726 /nfs/dbraw/zinc/00/67/26/712006726.db2.gz RPTXOZKLEDBXLQ-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP CCC[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702120751 712039626 /nfs/dbraw/zinc/03/96/26/712039626.db2.gz MHFKZJWGEHEHKU-RWMBFGLXSA-N 2 1 210.365 1.964 20 0 BDADMP CSC(C)(C)CC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702592704 712056456 /nfs/dbraw/zinc/05/64/56/712056456.db2.gz BTOGLZTXLLXRID-GFCCVEGCSA-N 2 1 246.420 1.174 20 0 BDADMP CSC(C)(C)CC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702592704 712056457 /nfs/dbraw/zinc/05/64/57/712056457.db2.gz BTOGLZTXLLXRID-GFCCVEGCSA-N 2 1 246.420 1.174 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCn1cccn1 ZINC000707298513 712169000 /nfs/dbraw/zinc/16/90/00/712169000.db2.gz QQQJYWXQLWRBMO-UHFFFAOYSA-N 2 1 224.352 1.334 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000707541193 712171832 /nfs/dbraw/zinc/17/18/32/712171832.db2.gz SXUPTQORRGERFK-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP C[N@H+](C[C@H]1CC(C)(C)CO1)[C@@H](C[NH3+])C1CC1 ZINC000708325447 712187559 /nfs/dbraw/zinc/18/75/59/712187559.db2.gz WZWGUKDVQXIKMY-NEPJUHHUSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)[C@@H](C[NH3+])C1CC1 ZINC000708325447 712187561 /nfs/dbraw/zinc/18/75/61/712187561.db2.gz WZWGUKDVQXIKMY-NEPJUHHUSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000708949966 712203495 /nfs/dbraw/zinc/20/34/95/712203495.db2.gz FJHCQUONPSERIT-ZDUSSCGKSA-N 2 1 228.380 1.862 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000709033894 712205915 /nfs/dbraw/zinc/20/59/15/712205915.db2.gz BQLNGAJZZHUPPT-WYUUTHIRSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000711591277 712311289 /nfs/dbraw/zinc/31/12/89/712311289.db2.gz WARXMVKJDXSELS-LPWJVIDDSA-N 2 1 240.416 1.669 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480144 712334326 /nfs/dbraw/zinc/33/43/26/712334326.db2.gz VWCMDEKYEYYJNW-STQMWFEESA-N 2 1 228.380 1.454 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712534001 712442128 /nfs/dbraw/zinc/44/21/28/712442128.db2.gz RSAIQCDVUDJHME-STQMWFEESA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000713482105 712461734 /nfs/dbraw/zinc/46/17/34/712461734.db2.gz XMZANCOSANNQMH-UHFFFAOYSA-N 2 1 245.779 1.967 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000717602813 712661943 /nfs/dbraw/zinc/66/19/43/712661943.db2.gz XTGNDZYTPBMHNP-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000719778909 712824768 /nfs/dbraw/zinc/82/47/68/712824768.db2.gz MPAZBRAZSLCYLH-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP c1cc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)sn1 ZINC000719846200 712825848 /nfs/dbraw/zinc/82/58/48/712825848.db2.gz UDRRTFOJAOGSCD-GFCCVEGCSA-N 2 1 237.372 1.371 20 0 BDADMP c1cc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)sn1 ZINC000719846200 712825849 /nfs/dbraw/zinc/82/58/49/712825849.db2.gz UDRRTFOJAOGSCD-GFCCVEGCSA-N 2 1 237.372 1.371 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]2C1 ZINC000383512402 710983493 /nfs/dbraw/zinc/98/34/93/710983493.db2.gz GZGMCNSDTDIDBU-AGIUHOORSA-N 2 1 240.391 1.277 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C(C)(C)C)C[C@@H]2C1 ZINC000383512402 710983498 /nfs/dbraw/zinc/98/34/98/710983498.db2.gz GZGMCNSDTDIDBU-AGIUHOORSA-N 2 1 240.391 1.277 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C(C)(C)C)C[C@@H]2C1 ZINC000383512402 710983502 /nfs/dbraw/zinc/98/35/02/710983502.db2.gz GZGMCNSDTDIDBU-AGIUHOORSA-N 2 1 240.391 1.277 20 0 BDADMP O=c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc[nH]1 ZINC000392770277 711152616 /nfs/dbraw/zinc/15/26/16/711152616.db2.gz VWIMCVRYCRLPRM-UHFFFAOYSA-N 2 1 247.342 1.504 20 0 BDADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)COC1 ZINC000393974617 711180424 /nfs/dbraw/zinc/18/04/24/711180424.db2.gz SPPZDVCQEQPRLV-YHWZYXNKSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000396570269 711355070 /nfs/dbraw/zinc/35/50/70/711355070.db2.gz AJWPNBWJWKPXCO-RVMXOQNASA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000396592741 711355673 /nfs/dbraw/zinc/35/56/73/711355673.db2.gz UNNCKVRBVNQBID-SGMGOOAPSA-N 2 1 237.391 1.201 20 0 BDADMP CCOCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396579215 711356618 /nfs/dbraw/zinc/35/66/18/711356618.db2.gz ONUPWWFJCMVXKD-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000396594318 711358696 /nfs/dbraw/zinc/35/86/96/711358696.db2.gz KWJYMUBNVVLUMH-QWHCGFSZSA-N 3 1 239.407 1.448 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396593099 711359365 /nfs/dbraw/zinc/35/93/65/711359365.db2.gz XRBBAEYTBPRTTO-KXUCPTDWSA-N 2 1 202.367 1.468 20 0 BDADMP C[C@H](CCCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000398565203 711411822 /nfs/dbraw/zinc/41/18/22/711411822.db2.gz DKAQCSJKUWTMDQ-RLAWYHOSSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]([NH2+]CCc1ccnn1C)[C@@H]1CCCC[NH2+]1 ZINC000385965659 711020725 /nfs/dbraw/zinc/02/07/25/711020725.db2.gz GBHFBJACPNWVEZ-YPMHNXCESA-N 2 1 236.363 1.083 20 0 BDADMP CC1(C)CC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000395180404 711204244 /nfs/dbraw/zinc/20/42/44/711204244.db2.gz MYRWEPOJSIRWBF-QWHCGFSZSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)CC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000395180404 711204246 /nfs/dbraw/zinc/20/42/46/711204246.db2.gz MYRWEPOJSIRWBF-QWHCGFSZSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)OCCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396677130 711364707 /nfs/dbraw/zinc/36/47/07/711364707.db2.gz UECWTRKXNORIQB-CHWSQXEVSA-N 2 1 228.380 1.922 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396716410 711365928 /nfs/dbraw/zinc/36/59/28/711365928.db2.gz RIFCLHWTZZYDRK-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396711680 711366296 /nfs/dbraw/zinc/36/62/96/711366296.db2.gz RCFMYWOFEQKQKG-NEPJUHHUSA-N 2 1 213.369 1.057 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000396734473 711366887 /nfs/dbraw/zinc/36/68/87/711366887.db2.gz ZQLIXACDPNGCGX-VXGBXAGGSA-N 2 1 228.380 1.515 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)OC ZINC000396729972 711368884 /nfs/dbraw/zinc/36/88/84/711368884.db2.gz XTWKMWQOVNEFDE-TUAOUCFPSA-N 2 1 214.353 1.532 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396728467 711368959 /nfs/dbraw/zinc/36/89/59/711368959.db2.gz ZUPMLMXRHINCJJ-WDEREUQCSA-N 2 1 214.353 1.268 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396728464 711368983 /nfs/dbraw/zinc/36/89/83/711368983.db2.gz ZUPMLMXRHINCJJ-QWRGUYRKSA-N 2 1 214.353 1.268 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000723627014 711526563 /nfs/dbraw/zinc/52/65/63/711526563.db2.gz LDFKNINEGKSXFL-GFCCVEGCSA-N 2 1 223.320 1.462 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000723627014 711526566 /nfs/dbraw/zinc/52/65/66/711526566.db2.gz LDFKNINEGKSXFL-GFCCVEGCSA-N 2 1 223.320 1.462 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711656 711535617 /nfs/dbraw/zinc/53/56/17/711535617.db2.gz DWXQHBNHJRJMJU-LLVKDONJSA-N 2 1 222.336 1.074 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000723713570 711536087 /nfs/dbraw/zinc/53/60/87/711536087.db2.gz STWHVPADFXCSHJ-ZIAGYGMSSA-N 2 1 240.391 1.598 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1CC[NH3+] ZINC000723892744 711544217 /nfs/dbraw/zinc/54/42/17/711544217.db2.gz VGCIHZDHDVLZTN-GMTAPVOTSA-N 2 1 248.317 1.327 20 0 BDADMP COC1(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CCCC1 ZINC000723890030 711544222 /nfs/dbraw/zinc/54/42/22/711544222.db2.gz AKFCNWQXGWRRMD-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1cn(C)nc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000723965936 711548256 /nfs/dbraw/zinc/54/82/56/711548256.db2.gz ZCUMFLLSOAZNOD-GFCCVEGCSA-N 2 1 236.363 1.432 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000723965936 711548258 /nfs/dbraw/zinc/54/82/58/711548258.db2.gz ZCUMFLLSOAZNOD-GFCCVEGCSA-N 2 1 236.363 1.432 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC000386450762 711556707 /nfs/dbraw/zinc/55/67/07/711556707.db2.gz DOZBIXSJXDUUCJ-KGLIPLIRSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC000386450762 711556710 /nfs/dbraw/zinc/55/67/10/711556710.db2.gz DOZBIXSJXDUUCJ-KGLIPLIRSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC000386450762 711556711 /nfs/dbraw/zinc/55/67/11/711556711.db2.gz DOZBIXSJXDUUCJ-KGLIPLIRSA-N 2 1 245.370 1.652 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000724155365 711565067 /nfs/dbraw/zinc/56/50/67/711565067.db2.gz LRQUREOSVXRWOZ-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000724780454 711613844 /nfs/dbraw/zinc/61/38/44/711613844.db2.gz WEPOJOOGQWEXJT-MWLCHTKSSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000724780454 711613845 /nfs/dbraw/zinc/61/38/45/711613845.db2.gz WEPOJOOGQWEXJT-MWLCHTKSSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000724780454 711613846 /nfs/dbraw/zinc/61/38/46/711613846.db2.gz WEPOJOOGQWEXJT-MWLCHTKSSA-N 2 1 222.336 1.135 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCO[C@H]1CCOC1 ZINC000724926555 711629142 /nfs/dbraw/zinc/62/91/42/711629142.db2.gz RQODRJAJFNZKHV-QWHCGFSZSA-N 2 1 244.379 1.097 20 0 BDADMP CNc1cc(NCC2CC[NH+](C)CC2)nc[nH+]1 ZINC000131935269 711631810 /nfs/dbraw/zinc/63/18/10/711631810.db2.gz AXQBEFYMSCEJKI-UHFFFAOYSA-N 2 1 235.335 1.272 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H]1C ZINC000309095370 711661897 /nfs/dbraw/zinc/66/18/97/711661897.db2.gz CPIBMUYDALNUGU-JQWIXIFHSA-N 2 1 207.321 1.970 20 0 BDADMP C[C@@H]1[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1C ZINC000719627771 711672773 /nfs/dbraw/zinc/67/27/73/711672773.db2.gz WQSIHZQAWRNFCZ-LPWJVIDDSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H]1[C@@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000719627771 711672774 /nfs/dbraw/zinc/67/27/74/711672774.db2.gz WQSIHZQAWRNFCZ-LPWJVIDDSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H]1[C@@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000719627771 711672777 /nfs/dbraw/zinc/67/27/77/711672777.db2.gz WQSIHZQAWRNFCZ-LPWJVIDDSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925548641 711700178 /nfs/dbraw/zinc/70/01/78/711700178.db2.gz DAWAOHMLOFEQCR-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccn1 ZINC000925711923 711711567 /nfs/dbraw/zinc/71/15/67/711711567.db2.gz GCBYXBPCYINKIT-DGCLKSJQSA-N 2 1 233.359 1.915 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313147690 711714116 /nfs/dbraw/zinc/71/41/16/711714116.db2.gz SVKKGPINQDGLAT-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]([NH3+])[C@@H](NC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000925721173 711715732 /nfs/dbraw/zinc/71/57/32/711715732.db2.gz AACJZCUQYCLISH-BPLDGKMQSA-N 2 1 247.386 1.759 20 0 BDADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@H]1CCCO1 ZINC000334979422 711719258 /nfs/dbraw/zinc/71/92/58/711719258.db2.gz HMVXTZRSVFGHRL-CHWSQXEVSA-N 2 1 224.348 1.383 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@H]1CCCO1 ZINC000334979422 711719260 /nfs/dbraw/zinc/71/92/60/711719260.db2.gz HMVXTZRSVFGHRL-CHWSQXEVSA-N 2 1 224.348 1.383 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC(C)(C)C ZINC000925781071 711748289 /nfs/dbraw/zinc/74/82/89/711748289.db2.gz WJOKGSGPSWMMSE-FUNVUKJBSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000160042885 711775615 /nfs/dbraw/zinc/77/56/15/711775615.db2.gz CISRVHYGRZXHDP-ZDUSSCGKSA-N 2 1 228.380 1.720 20 0 BDADMP CC(C)n1ncnc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125528379 711794356 /nfs/dbraw/zinc/79/43/56/711794356.db2.gz QZDTVYWHNPSYDU-LLVKDONJSA-N 2 1 237.351 1.030 20 0 BDADMP CC(C)n1ncnc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125528379 711794357 /nfs/dbraw/zinc/79/43/57/711794357.db2.gz QZDTVYWHNPSYDU-LLVKDONJSA-N 2 1 237.351 1.030 20 0 BDADMP C[C@@H](C[NH2+]Cc1cnn(C)c1)C[NH+]1CCCC1 ZINC000058065144 711827800 /nfs/dbraw/zinc/82/78/00/711827800.db2.gz YXLIPBPXMYLKRG-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000227708868 711832590 /nfs/dbraw/zinc/83/25/90/711832590.db2.gz ANHRISKKBFTKIY-KWCYVHTRSA-N 2 1 234.343 1.532 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000227708875 711832630 /nfs/dbraw/zinc/83/26/30/711832630.db2.gz ANHRISKKBFTKIY-FPMFFAJLSA-N 2 1 234.343 1.532 20 0 BDADMP COC[C@@H](C[N@@H+](C)C[C@H](C)[NH3+])C(C)C ZINC000721962575 711843101 /nfs/dbraw/zinc/84/31/01/711843101.db2.gz HKAUGKIRSKGWAQ-WDEREUQCSA-N 2 1 202.342 1.184 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](COC)C(C)C)C1 ZINC000721914739 711918219 /nfs/dbraw/zinc/91/82/19/711918219.db2.gz SJVJJXTZBNYODV-OLZOCXBDSA-N 2 1 228.380 1.446 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000721917892 711919593 /nfs/dbraw/zinc/91/95/93/711919593.db2.gz BXGCWSCISLITRO-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000721917892 711919596 /nfs/dbraw/zinc/91/95/96/711919596.db2.gz BXGCWSCISLITRO-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000721921291 711937233 /nfs/dbraw/zinc/93/72/33/711937233.db2.gz XJCHHXPTFYJVBA-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000721921291 711937234 /nfs/dbraw/zinc/93/72/34/711937234.db2.gz XJCHHXPTFYJVBA-WUHRBBMRSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000423445150 711957891 /nfs/dbraw/zinc/95/78/91/711957891.db2.gz XNYWGVQHWJXOJZ-JQWIXIFHSA-N 2 1 236.363 1.894 20 0 BDADMP C[C@H]1SCC[N@H+](CCC[NH2+]C2CC2)[C@@H]1C ZINC000132527712 711965830 /nfs/dbraw/zinc/96/58/30/711965830.db2.gz MODYQEMEZOBSSN-GHMZBOCLSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H]1SCC[N@@H+](CCC[NH2+]C2CC2)[C@@H]1C ZINC000132527712 711965833 /nfs/dbraw/zinc/96/58/33/711965833.db2.gz MODYQEMEZOBSSN-GHMZBOCLSA-N 2 1 228.405 1.954 20 0 BDADMP COCC[N@@H+](CCF)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000700384335 711991641 /nfs/dbraw/zinc/99/16/41/711991641.db2.gz GHHDPTDSMTWNQT-RYUDHWBXSA-N 2 1 232.343 1.292 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1CO ZINC000700402178 711992545 /nfs/dbraw/zinc/99/25/45/711992545.db2.gz ZCWDKRMJIICULP-OCCSQVGLSA-N 2 1 240.391 1.279 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700809943 712006377 /nfs/dbraw/zinc/00/63/77/712006377.db2.gz WSCBSMWBDHEBSF-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000702094999 712038806 /nfs/dbraw/zinc/03/88/06/712038806.db2.gz WWLIIQAPALIQEH-KGLIPLIRSA-N 2 1 240.391 1.864 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOc3ccccc3C2)C1 ZINC000703582913 712080010 /nfs/dbraw/zinc/08/00/10/712080010.db2.gz KRRDGQMLZPPMJY-BJHJDKERSA-N 2 1 232.327 1.618 20 0 BDADMP COC1CC(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000703851318 712090509 /nfs/dbraw/zinc/09/05/09/712090509.db2.gz NYWDMLKDWBVMFV-IUCVHNFVSA-N 2 1 224.348 1.081 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncccc2Cl)C1 ZINC000703936982 712094696 /nfs/dbraw/zinc/09/46/96/712094696.db2.gz VFHPJUUZLQEQOW-SNVBAGLBSA-N 2 1 239.750 1.906 20 0 BDADMP COc1cncc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000704207339 712101541 /nfs/dbraw/zinc/10/15/41/712101541.db2.gz MJBVIELFZYJIIE-AAEUAGOBSA-N 2 1 249.358 1.663 20 0 BDADMP COc1cncc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000704207339 712101542 /nfs/dbraw/zinc/10/15/42/712101542.db2.gz MJBVIELFZYJIIE-AAEUAGOBSA-N 2 1 249.358 1.663 20 0 BDADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc[nH+]c(CO)c1 ZINC000705127420 712122633 /nfs/dbraw/zinc/12/26/33/712122633.db2.gz AOGMGVGHVRWISM-LBPRGKRZSA-N 2 1 249.358 1.352 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000705708864 712134281 /nfs/dbraw/zinc/13/42/81/712134281.db2.gz VIPMZOBFWLTDJU-CLRIEMFWSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000705708864 712134282 /nfs/dbraw/zinc/13/42/82/712134282.db2.gz VIPMZOBFWLTDJU-CLRIEMFWSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@H](O)CCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705667215 712134919 /nfs/dbraw/zinc/13/49/19/712134919.db2.gz IKKSPOONLWTSAF-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](O)CCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705667215 712134921 /nfs/dbraw/zinc/13/49/21/712134921.db2.gz IKKSPOONLWTSAF-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](O)CCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705667215 712134923 /nfs/dbraw/zinc/13/49/23/712134923.db2.gz IKKSPOONLWTSAF-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H](O)CCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705667215 712134925 /nfs/dbraw/zinc/13/49/25/712134925.db2.gz IKKSPOONLWTSAF-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP COCC1([N@@H+](C)C[C@H]2CCCC[NH2+]C2)CC1 ZINC000706814923 712156383 /nfs/dbraw/zinc/15/63/83/712156383.db2.gz KGTZMMITZTVCIP-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000708332136 712187989 /nfs/dbraw/zinc/18/79/89/712187989.db2.gz PMQHDYGCKXYEMX-NEPJUHHUSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000708898446 712203743 /nfs/dbraw/zinc/20/37/43/712203743.db2.gz LTLYUASTFWZETL-GRYCIOLGSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H](O)C[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000709403178 712221002 /nfs/dbraw/zinc/22/10/02/712221002.db2.gz UIMPXAKPEWNJSX-LLVKDONJSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@]1(C(F)(F)F)CC[N@@H+](CCC[NH3+])C1 ZINC000709574202 712224922 /nfs/dbraw/zinc/22/49/22/712224922.db2.gz JPYAZOUPGZGQSL-QMMMGPOBSA-N 2 1 210.243 1.610 20 0 BDADMP C[NH2+]CC[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710522460 712226114 /nfs/dbraw/zinc/22/61/14/712226114.db2.gz WMCFSIBNZPWYAM-ILWJIGKKSA-N 2 1 218.291 1.429 20 0 BDADMP C[NH2+]CC[N@@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710522460 712226115 /nfs/dbraw/zinc/22/61/15/712226115.db2.gz WMCFSIBNZPWYAM-ILWJIGKKSA-N 2 1 218.291 1.429 20 0 BDADMP CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709796783 712227599 /nfs/dbraw/zinc/22/75/99/712227599.db2.gz YZYCHPCUVOFZLZ-HTQZYQBOSA-N 2 1 210.243 1.465 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCOCC1)C2 ZINC000709826723 712228938 /nfs/dbraw/zinc/22/89/38/712228938.db2.gz NBRWCKGBLYUFEO-AVGNSLFASA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000709868299 712229796 /nfs/dbraw/zinc/22/97/96/712229796.db2.gz CZWCBEBIPNRENL-VPCRRHSYSA-N 2 1 220.360 1.844 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccn1 ZINC000709937346 712233819 /nfs/dbraw/zinc/23/38/19/712233819.db2.gz RYEANHDZANKKQB-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccn1 ZINC000709937346 712233821 /nfs/dbraw/zinc/23/38/21/712233821.db2.gz RYEANHDZANKKQB-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1nnsc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710706034 712254607 /nfs/dbraw/zinc/25/46/07/712254607.db2.gz QAWDUBYVHBWITG-UHFFFAOYSA-N 2 1 242.392 1.797 20 0 BDADMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000710724461 712255450 /nfs/dbraw/zinc/25/54/50/712255450.db2.gz MHAGBLGRBWGSOY-CHWSQXEVSA-N 2 1 244.379 1.241 20 0 BDADMP FC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000711443567 712300544 /nfs/dbraw/zinc/30/05/44/712300544.db2.gz MWGHIYCOWGNNQZ-QWRGUYRKSA-N 2 1 200.301 1.277 20 0 BDADMP FC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000711451353 712302290 /nfs/dbraw/zinc/30/22/90/712302290.db2.gz CNQGBRWEIYJIPB-MNOVXSKESA-N 2 1 200.301 1.277 20 0 BDADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)OC1CC1 ZINC000711760410 712326792 /nfs/dbraw/zinc/32/67/92/712326792.db2.gz URLRLHZFSJVVEZ-TZMCWYRMSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000711808696 712329491 /nfs/dbraw/zinc/32/94/91/712329491.db2.gz SLTIUURWXJFQGY-GFCCVEGCSA-N 2 1 248.374 1.779 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C1CCC1 ZINC000923480292 712334651 /nfs/dbraw/zinc/33/46/51/712334651.db2.gz WPSMGCRHCKTCOV-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP CCc1cc(NC[C@@H]2CC[N@H+]2C)cc[nH+]1 ZINC000712592967 712435548 /nfs/dbraw/zinc/43/55/48/712435548.db2.gz VFYXBNKWTREMAJ-LBPRGKRZSA-N 2 1 205.305 1.182 20 0 BDADMP CN1CC[N@@H+](CC2CC[NH2+]CC2)CCC1(C)C ZINC000712631554 712439028 /nfs/dbraw/zinc/43/90/28/712439028.db2.gz HOAXKFTVNIOJEV-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713215134 712455203 /nfs/dbraw/zinc/45/52/03/712455203.db2.gz FYZUYFQDFXNQPN-CYBMUJFWSA-N 2 1 238.375 1.774 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714797576 712498567 /nfs/dbraw/zinc/49/85/67/712498567.db2.gz FOYAATJFVGQTIS-CBBWQLFWSA-N 2 1 234.387 1.964 20 0 BDADMP C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000715492789 712523485 /nfs/dbraw/zinc/52/34/85/712523485.db2.gz AJNBDOILBMXFHR-RFQIPJPRSA-N 2 1 236.359 1.095 20 0 BDADMP C([C@H]1CC[C@H](C2CC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000715492803 712523500 /nfs/dbraw/zinc/52/35/00/712523500.db2.gz AJNBDOILBMXFHR-XJFOESAGSA-N 2 1 236.359 1.095 20 0 BDADMP Cc1c[nH]nc1C[NH2+]C1CCC([NH3+])CC1 ZINC000716456067 712562553 /nfs/dbraw/zinc/56/25/53/712562553.db2.gz GONFMQZJCGZSMS-UHFFFAOYSA-N 2 1 208.309 1.078 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000380142314 712699226 /nfs/dbraw/zinc/69/92/26/712699226.db2.gz YVJZARIMTRZKCC-VIFPVBQESA-N 2 1 226.349 1.099 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918200 712787003 /nfs/dbraw/zinc/78/70/03/712787003.db2.gz AEQRISFKGSMSQF-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP C1CCC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000720143191 712827708 /nfs/dbraw/zinc/82/77/08/712827708.db2.gz PAJDQFBOQRYMHX-ZDUSSCGKSA-N 2 1 238.375 1.677 20 0 BDADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250816191 712834913 /nfs/dbraw/zinc/83/49/13/712834913.db2.gz XGDQNLPBMSUFRR-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)nn1 ZINC000720585151 712854956 /nfs/dbraw/zinc/85/49/56/712854956.db2.gz WIZDPRDGLYTAMN-CMPLNLGQSA-N 2 1 234.347 1.263 20 0 BDADMP CC1(C)C[N@H+](CCCCCCO)C[C@@H]1[NH3+] ZINC000720718780 712862392 /nfs/dbraw/zinc/86/23/92/712862392.db2.gz XHUYFIGRCBORRR-NSHDSACASA-N 2 1 214.353 1.208 20 0 BDADMP CC1(C)C[N@@H+](CCCCCCO)C[C@@H]1[NH3+] ZINC000720718780 712862393 /nfs/dbraw/zinc/86/23/93/712862393.db2.gz XHUYFIGRCBORRR-NSHDSACASA-N 2 1 214.353 1.208 20 0 BDADMP CCOCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720809517 712867043 /nfs/dbraw/zinc/86/70/43/712867043.db2.gz ZXCWNTKJODCNTA-IUCAKERBSA-N 2 1 240.269 1.092 20 0 BDADMP CCOCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720809517 712867045 /nfs/dbraw/zinc/86/70/45/712867045.db2.gz ZXCWNTKJODCNTA-IUCAKERBSA-N 2 1 240.269 1.092 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000720844847 712869601 /nfs/dbraw/zinc/86/96/01/712869601.db2.gz IDGVXDUHFPIKHR-FPMFFAJLSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H](C[NH3+])C1CC1 ZINC000720870740 712871842 /nfs/dbraw/zinc/87/18/42/712871842.db2.gz LGZXCYJQUPOEPW-FQUUOJAGSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H](C[NH3+])C1CC1 ZINC000720870740 712871844 /nfs/dbraw/zinc/87/18/44/712871844.db2.gz LGZXCYJQUPOEPW-FQUUOJAGSA-N 2 1 238.375 1.613 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720868940 712871988 /nfs/dbraw/zinc/87/19/88/712871988.db2.gz HTPKYNMZRZWLME-XDQVBPFNSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720875839 712872483 /nfs/dbraw/zinc/87/24/83/712872483.db2.gz XOGANUQSBBYDFX-QNWHQSFQSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720875840 712872602 /nfs/dbraw/zinc/87/26/02/712872602.db2.gz XOGANUQSBBYDFX-RNJOBUHISA-N 2 1 224.348 1.225 20 0 BDADMP CCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720873975 712873322 /nfs/dbraw/zinc/87/33/22/712873322.db2.gz YZYCHPCUVOFZLZ-YUMQZZPRSA-N 2 1 210.243 1.465 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000720872633 712873396 /nfs/dbraw/zinc/87/33/96/712873396.db2.gz ORNRAGISTPNVOA-XBFCOCLRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1Cn1c[nH+]c2c1CCCC2 ZINC000721026952 712886966 /nfs/dbraw/zinc/88/69/66/712886966.db2.gz FCLJXXCNVUOIGT-MNOVXSKESA-N 2 1 219.332 1.617 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@](C)(O)C2)C1 ZINC001208606012 957091957 /nfs/dbraw/zinc/09/19/57/957091957.db2.gz DBPBNBUIAOEGTK-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@](C)(O)C2)C1 ZINC001208606012 957091972 /nfs/dbraw/zinc/09/19/72/957091972.db2.gz DBPBNBUIAOEGTK-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@](C)(O)C2)C1 ZINC001208606012 957091981 /nfs/dbraw/zinc/09/19/81/957091981.db2.gz DBPBNBUIAOEGTK-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(CSC3)C2)C1 ZINC001208613894 957096280 /nfs/dbraw/zinc/09/62/80/957096280.db2.gz ATGDSIIUJOVFJI-NSHDSACASA-N 2 1 226.389 1.377 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(CSC3)C2)C1 ZINC001208613894 957096296 /nfs/dbraw/zinc/09/62/96/957096296.db2.gz ATGDSIIUJOVFJI-NSHDSACASA-N 2 1 226.389 1.377 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000705397384 957199250 /nfs/dbraw/zinc/19/92/50/957199250.db2.gz CHVBSTNGHBCKCU-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CN(c2cc(N)cc[nH+]2)[C@@H](C)C[N@H+]1C ZINC001164632161 719149034 /nfs/dbraw/zinc/14/90/34/719149034.db2.gz PXFBQEHTOSRWBC-ZJUUUORDSA-N 2 1 220.320 1.193 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(N)cc[nH+]1 ZINC001164632158 719149710 /nfs/dbraw/zinc/14/97/10/719149710.db2.gz PXFBQEHTOSRWBC-NXEZZACHSA-N 2 1 220.320 1.193 20 0 BDADMP Cc1cnc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c(C[NH3+])c1 ZINC001164633414 719225405 /nfs/dbraw/zinc/22/54/05/719225405.db2.gz DLRKJXDEKNQHQC-NWDGAFQWSA-N 2 1 248.374 1.378 20 0 BDADMP Cc1c[nH+]c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1N ZINC001164638110 719229848 /nfs/dbraw/zinc/22/98/48/719229848.db2.gz NFYUKROZCKPCQO-QWRGUYRKSA-N 2 1 234.347 1.501 20 0 BDADMP CO[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1C ZINC000693587123 958892534 /nfs/dbraw/zinc/89/25/34/958892534.db2.gz YCCZMEJMEIWJST-YFKTTZPYSA-N 2 1 212.337 1.081 20 0 BDADMP CC(C)[N@@H+](CCCO)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709483041 960621198 /nfs/dbraw/zinc/62/11/98/960621198.db2.gz WWHMVKISNKCESI-FUNVUKJBSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000300055061 961006207 /nfs/dbraw/zinc/00/62/07/961006207.db2.gz GVIKJUQCPQAIRC-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP FC[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711444119 962707280 /nfs/dbraw/zinc/70/72/80/962707280.db2.gz RMIFIVPSURLFIO-ACJTYDJDSA-N 2 1 226.339 1.951 20 0 BDADMP C[NH+]1CCC(CO[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001224449573 964647659 /nfs/dbraw/zinc/64/76/59/964647659.db2.gz HUKMAABQVXODCF-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H]1C[N@H+](CCCCCC[NH3+])CCN1 ZINC001235725226 966103535 /nfs/dbraw/zinc/10/35/35/966103535.db2.gz SOIUBVFMKXPHDU-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1 ZINC001235725226 966103549 /nfs/dbraw/zinc/10/35/49/966103549.db2.gz SOIUBVFMKXPHDU-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000715560169 967159040 /nfs/dbraw/zinc/15/90/40/967159040.db2.gz YWSVDNOYVKXQOZ-RQJABVFESA-N 3 1 239.407 1.589 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205058875 967315004 /nfs/dbraw/zinc/31/50/04/967315004.db2.gz WZZYSUNGUZUUIO-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205058876 967316398 /nfs/dbraw/zinc/31/63/98/967316398.db2.gz WZZYSUNGUZUUIO-XQQFMLRXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001205255529 967444390 /nfs/dbraw/zinc/44/43/90/967444390.db2.gz JYDSDLQNJUVLAH-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205255527 967444441 /nfs/dbraw/zinc/44/44/41/967444441.db2.gz JYDSDLQNJUVLAH-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205255527 967444449 /nfs/dbraw/zinc/44/44/49/967444449.db2.gz JYDSDLQNJUVLAH-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cncs2)CC1 ZINC001205263855 967454623 /nfs/dbraw/zinc/45/46/23/967454623.db2.gz CRKZFCLDEQLPNZ-NSHDSACASA-N 2 1 225.361 1.846 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cncs2)CC1 ZINC001205263855 967454626 /nfs/dbraw/zinc/45/46/26/967454626.db2.gz CRKZFCLDEQLPNZ-NSHDSACASA-N 2 1 225.361 1.846 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cnoc2)CC1 ZINC001205545499 967692358 /nfs/dbraw/zinc/69/23/58/967692358.db2.gz IEZMRSAEURCNMW-LLVKDONJSA-N 2 1 227.283 1.328 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC001205599889 967716507 /nfs/dbraw/zinc/71/65/07/967716507.db2.gz AMIDXGNRHNTFIV-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205602798 967718321 /nfs/dbraw/zinc/71/83/21/967718321.db2.gz MOUGQKVKWIXZKG-CHWSQXEVSA-N 3 1 227.396 1.422 20 0 BDADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946678 967895744 /nfs/dbraw/zinc/89/57/44/967895744.db2.gz OLMLAVRYKFAVOF-JHZNUDOXSA-N 2 1 240.391 1.907 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207399404 968748165 /nfs/dbraw/zinc/74/81/65/968748165.db2.gz MPNHFXOPMRCBML-CYBMUJFWSA-N 2 1 224.348 1.239 20 0 BDADMP F[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC1(F)F ZINC001207436918 968756063 /nfs/dbraw/zinc/75/60/63/968756063.db2.gz WVSZVFTZRIAZOM-SNVBAGLBSA-N 2 1 236.281 1.665 20 0 BDADMP CCN1CC[N@@H+](CC2CC[NH2+]CC2)C(C)(C)C1 ZINC001207442264 968773258 /nfs/dbraw/zinc/77/32/58/968773258.db2.gz WLJIGXGCEJRDHL-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001207479761 968793847 /nfs/dbraw/zinc/79/38/47/968793847.db2.gz MYQMOLUBOXYVPR-QWHCGFSZSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001208107728 969003233 /nfs/dbraw/zinc/00/32/33/969003233.db2.gz JWJPGCMXRNEXRW-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCCC23COC3)CC1 ZINC001208114085 969006993 /nfs/dbraw/zinc/00/69/93/969006993.db2.gz RATMULKPRYGKFE-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208185178 969116132 /nfs/dbraw/zinc/11/61/32/969116132.db2.gz VVLCGYZTEFZLGH-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607598 969162070 /nfs/dbraw/zinc/16/20/70/969162070.db2.gz LPXPEJFECMWVDU-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607598 969162078 /nfs/dbraw/zinc/16/20/78/969162078.db2.gz LPXPEJFECMWVDU-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607598 969162085 /nfs/dbraw/zinc/16/20/85/969162085.db2.gz LPXPEJFECMWVDU-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001208610142 969169444 /nfs/dbraw/zinc/16/94/44/969169444.db2.gz YVAHYIDHOICZSL-ZDEQEGDKSA-N 2 1 226.339 1.761 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001208610142 969169447 /nfs/dbraw/zinc/16/94/47/969169447.db2.gz YVAHYIDHOICZSL-ZDEQEGDKSA-N 2 1 226.339 1.761 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001208610142 969169449 /nfs/dbraw/zinc/16/94/49/969169449.db2.gz YVAHYIDHOICZSL-ZDEQEGDKSA-N 2 1 226.339 1.761 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001208610142 969169452 /nfs/dbraw/zinc/16/94/52/969169452.db2.gz YVAHYIDHOICZSL-ZDEQEGDKSA-N 2 1 226.339 1.761 20 0 BDADMP CCN1CCO[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001208682798 969192340 /nfs/dbraw/zinc/19/23/40/969192340.db2.gz SJALCGPUJBDEKJ-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CCCCC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC001253519467 969197323 /nfs/dbraw/zinc/19/73/23/969197323.db2.gz PYFFOAIDOBNBEY-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH3+] ZINC000723471703 969319211 /nfs/dbraw/zinc/31/92/11/969319211.db2.gz JHXHBCMGSPQUHV-DNRKLUKYSA-N 2 1 212.337 1.221 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC(=O)C1)C2 ZINC001169097845 969391356 /nfs/dbraw/zinc/39/13/56/969391356.db2.gz CMZMBPDLACYBOI-CNDDSTCGSA-N 2 1 222.332 1.180 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC(=O)C1)C2 ZINC001169097845 969391361 /nfs/dbraw/zinc/39/13/61/969391361.db2.gz CMZMBPDLACYBOI-CNDDSTCGSA-N 2 1 222.332 1.180 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C)COC1)C2 ZINC001169080939 969402405 /nfs/dbraw/zinc/40/24/05/969402405.db2.gz NXCLQEIDUARVRV-ZSBIGDGJSA-N 2 1 224.348 1.238 20 0 BDADMP COCC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090691 969409238 /nfs/dbraw/zinc/40/92/38/969409238.db2.gz KVAFAIUCTCUUTB-ZSBIGDGJSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126785 969430048 /nfs/dbraw/zinc/43/00/48/969430048.db2.gz XPKOHCMWHSJTIP-NDBYEHHHSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126785 969430063 /nfs/dbraw/zinc/43/00/63/969430063.db2.gz XPKOHCMWHSJTIP-NDBYEHHHSA-N 2 1 208.349 1.953 20 0 BDADMP C[N@@H+](CC1COC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148833 969462748 /nfs/dbraw/zinc/46/27/48/969462748.db2.gz ZYJMVZQJQAIFLE-ITGUQSILSA-N 2 1 224.348 1.190 20 0 BDADMP C[NH+](CC1COC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148833 969462761 /nfs/dbraw/zinc/46/27/61/969462761.db2.gz ZYJMVZQJQAIFLE-ITGUQSILSA-N 2 1 224.348 1.190 20 0 BDADMP C[NH+](CC1COC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148833 969462778 /nfs/dbraw/zinc/46/27/78/969462778.db2.gz ZYJMVZQJQAIFLE-ITGUQSILSA-N 2 1 224.348 1.190 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@]23CCCOC3)CC1 ZINC001169242106 969529968 /nfs/dbraw/zinc/52/99/68/969529968.db2.gz WAUAZOFDHVAPFV-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]CC1([NH2+]C2CCC(F)(F)CC2)CC1 ZINC001254214904 969539116 /nfs/dbraw/zinc/53/91/16/969539116.db2.gz CXDBSQGKXBJBSW-UHFFFAOYSA-N 2 1 204.264 1.645 20 0 BDADMP CC(=O)N1CCC([N@H+](CCC[NH3+])C(C)C)CC1 ZINC001254414071 969613246 /nfs/dbraw/zinc/61/32/46/969613246.db2.gz RHPNSXYNUACYBO-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP C[N@@H+]1CCC[C@H](NC2C[NH+](C(C)(C)C)C2)CC1 ZINC001254511693 969679772 /nfs/dbraw/zinc/67/97/72/969679772.db2.gz CRQLNRMDMSXQHT-LBPRGKRZSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@H+]1CCC[C@H](NC2C[NH+](C(C)(C)C)C2)CC1 ZINC001254511693 969679778 /nfs/dbraw/zinc/67/97/78/969679778.db2.gz CRQLNRMDMSXQHT-LBPRGKRZSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC(F)CC2)CC1 ZINC001254516285 969687252 /nfs/dbraw/zinc/68/72/52/969687252.db2.gz LMZJGVJBJFNTOQ-LBPRGKRZSA-N 2 1 214.328 1.905 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCOCC2)CC1 ZINC001254516489 969687621 /nfs/dbraw/zinc/68/76/21/969687621.db2.gz NACLXMAXOVDPCO-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCOCC2)CC1 ZINC001254516489 969687630 /nfs/dbraw/zinc/68/76/30/969687630.db2.gz NACLXMAXOVDPCO-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCOCC2)CC1 ZINC001254516489 969687638 /nfs/dbraw/zinc/68/76/38/969687638.db2.gz NACLXMAXOVDPCO-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)C[C@H](C)O1 ZINC001254516309 969692332 /nfs/dbraw/zinc/69/23/32/969692332.db2.gz LSMRUYUEHYVELG-XQQFMLRXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)C[C@H](C)O1 ZINC001254516309 969692338 /nfs/dbraw/zinc/69/23/38/969692338.db2.gz LSMRUYUEHYVELG-XQQFMLRXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@H](C)O1 ZINC001254516309 969692342 /nfs/dbraw/zinc/69/23/42/969692342.db2.gz LSMRUYUEHYVELG-XQQFMLRXSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@H](C)O1 ZINC001254516309 969692344 /nfs/dbraw/zinc/69/23/44/969692344.db2.gz LSMRUYUEHYVELG-XQQFMLRXSA-N 2 1 226.364 1.580 20 0 BDADMP CC(=O)[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254526698 969720617 /nfs/dbraw/zinc/72/06/17/969720617.db2.gz TWHGNIAFXWZUAU-KGLIPLIRSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254526698 969720628 /nfs/dbraw/zinc/72/06/28/969720628.db2.gz TWHGNIAFXWZUAU-KGLIPLIRSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254526698 969720640 /nfs/dbraw/zinc/72/06/40/969720640.db2.gz TWHGNIAFXWZUAU-KGLIPLIRSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254526698 969720652 /nfs/dbraw/zinc/72/06/52/969720652.db2.gz TWHGNIAFXWZUAU-KGLIPLIRSA-N 2 1 238.375 1.772 20 0 BDADMP C[N@@H+](CC1COC1)[C@H]1CCC[NH+](C)CC1 ZINC001254525676 969721593 /nfs/dbraw/zinc/72/15/93/969721593.db2.gz KUKOJIJZAYDNQL-LBPRGKRZSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](CC1COC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525676 969721604 /nfs/dbraw/zinc/72/16/04/969721604.db2.gz KUKOJIJZAYDNQL-LBPRGKRZSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](CC1COC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525676 969721616 /nfs/dbraw/zinc/72/16/16/969721616.db2.gz KUKOJIJZAYDNQL-LBPRGKRZSA-N 2 1 212.337 1.049 20 0 BDADMP CC(C)[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CCO1 ZINC001254529223 969727887 /nfs/dbraw/zinc/72/78/87/969727887.db2.gz LHMYHSPUPVYZSU-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCO1 ZINC001254529223 969727894 /nfs/dbraw/zinc/72/78/94/969727894.db2.gz LHMYHSPUPVYZSU-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCO1 ZINC001254529223 969727909 /nfs/dbraw/zinc/72/79/09/969727909.db2.gz LHMYHSPUPVYZSU-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001254529223 969727922 /nfs/dbraw/zinc/72/79/22/969727922.db2.gz LHMYHSPUPVYZSU-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)n1cnc(C[NH3+])n1 ZINC001255947168 970583151 /nfs/dbraw/zinc/58/31/51/970583151.db2.gz OVIDYPBENORMAN-SNVBAGLBSA-N 2 1 225.340 1.030 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(O)CC1 ZINC001255955193 970587700 /nfs/dbraw/zinc/58/77/00/970587700.db2.gz QAHMKFJNZALOAR-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCOCC1 ZINC001255954680 970590992 /nfs/dbraw/zinc/59/09/92/970590992.db2.gz HMSQYVWHTWQALB-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCOCC1 ZINC001255954680 970590999 /nfs/dbraw/zinc/59/09/99/970590999.db2.gz HMSQYVWHTWQALB-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC001255956499 970596925 /nfs/dbraw/zinc/59/69/25/970596925.db2.gz KUHREPAXKKQSCK-MELADBBJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H](O)CC[C@H]1C ZINC001255956006 970597996 /nfs/dbraw/zinc/59/79/96/970597996.db2.gz FOZBWKRBFPCVJB-HZSPNIEDSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](CC)CC[C@H](C)N(C)[C@H]1CC[N@@H+](C)C1 ZINC001255965075 970602866 /nfs/dbraw/zinc/60/28/66/970602866.db2.gz XPHAFCQOCPURQB-KBPBESRZSA-N 2 1 241.423 1.743 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001256203421 970704861 /nfs/dbraw/zinc/70/48/61/970704861.db2.gz WSQZAKMXBRBDSF-CYBMUJFWSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001256203421 970704865 /nfs/dbraw/zinc/70/48/65/970704865.db2.gz WSQZAKMXBRBDSF-CYBMUJFWSA-N 2 1 224.348 1.336 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001256352377 970747609 /nfs/dbraw/zinc/74/76/09/970747609.db2.gz HJSRIGZQMYRQBM-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP CC(C)CC[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001256352377 970747610 /nfs/dbraw/zinc/74/76/10/970747610.db2.gz HJSRIGZQMYRQBM-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001173349575 975292749 /nfs/dbraw/zinc/29/27/49/975292749.db2.gz IODDHLKLXMVVHU-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001173436953 975373989 /nfs/dbraw/zinc/37/39/89/975373989.db2.gz GWPKLKVTXWDZKW-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CC2)C1(C)C ZINC001335469587 977079627 /nfs/dbraw/zinc/07/96/27/977079627.db2.gz NSQQIWKXBVMAFR-IJLUTSLNSA-N 2 1 226.364 1.076 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](NCc3cnsc3)[C@H]2C1 ZINC001179814918 978759294 /nfs/dbraw/zinc/75/92/94/978759294.db2.gz BRJOJEDZOOBIHZ-SDDRHHMPSA-N 2 1 237.372 1.573 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnsc3)[C@H]2C1 ZINC001179814918 978759298 /nfs/dbraw/zinc/75/92/98/978759298.db2.gz BRJOJEDZOOBIHZ-SDDRHHMPSA-N 2 1 237.372 1.573 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cnsc3)[C@H]2C1 ZINC001179814918 978759301 /nfs/dbraw/zinc/75/93/01/978759301.db2.gz BRJOJEDZOOBIHZ-SDDRHHMPSA-N 2 1 237.372 1.573 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422806 979042522 /nfs/dbraw/zinc/04/25/22/979042522.db2.gz DRDVCCMZTYEAFB-KGLIPLIRSA-N 3 1 239.407 1.437 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001235832658 979165379 /nfs/dbraw/zinc/16/53/79/979165379.db2.gz BBQRPHUMTAALPL-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)CN(CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001235832658 979165388 /nfs/dbraw/zinc/16/53/88/979165388.db2.gz BBQRPHUMTAALPL-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001236046009 979345703 /nfs/dbraw/zinc/34/57/03/979345703.db2.gz ZSDFVDDDKPSUKJ-VXGBXAGGSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001236046009 979345712 /nfs/dbraw/zinc/34/57/12/979345712.db2.gz ZSDFVDDDKPSUKJ-VXGBXAGGSA-N 2 1 225.380 1.045 20 0 BDADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236242965 979462004 /nfs/dbraw/zinc/46/20/04/979462004.db2.gz PXMQRLBWWYORHK-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP CCN1CCCC[C@H]1C(=O)OCCN1CCC1 ZINC001343871482 980260020 /nfs/dbraw/zinc/26/00/20/980260020.db2.gz XTHQXJFURJLAFX-LBPRGKRZSA-N 2 1 240.347 1.110 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccon2)CC[C@@H]1C[NH3+] ZINC001205618290 981224303 /nfs/dbraw/zinc/22/43/03/981224303.db2.gz UGPFXTOIWXGJPC-GHMZBOCLSA-N 2 1 223.320 1.481 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001251780473 982689241 /nfs/dbraw/zinc/68/92/41/982689241.db2.gz NUBBKCDCWTYHHE-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001251780473 982689248 /nfs/dbraw/zinc/68/92/48/982689248.db2.gz NUBBKCDCWTYHHE-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP COC/C(C)=C/C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001354710021 983346700 /nfs/dbraw/zinc/34/67/00/983346700.db2.gz OAHHNEVWTDASEU-WTWVRAIASA-N 2 1 240.391 1.995 20 0 BDADMP CCC[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201645749 983397589 /nfs/dbraw/zinc/39/75/89/983397589.db2.gz HRWPYNUHSCMNKY-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001201645749 983397597 /nfs/dbraw/zinc/39/75/97/983397597.db2.gz HRWPYNUHSCMNKY-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172434878 974737810 /nfs/dbraw/zinc/73/78/10/974737810.db2.gz VNQYHKFSWQERJZ-MNOVXSKESA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172434878 974737818 /nfs/dbraw/zinc/73/78/18/974737818.db2.gz VNQYHKFSWQERJZ-MNOVXSKESA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172457519 974821748 /nfs/dbraw/zinc/82/17/48/974821748.db2.gz PRNJHWHIUASIQL-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)O1 ZINC001246546508 972643141 /nfs/dbraw/zinc/64/31/41/972643141.db2.gz NAMDGSLLRGTCSN-YVECIDJPSA-N 2 1 226.364 1.756 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246553502 972750344 /nfs/dbraw/zinc/75/03/44/972750344.db2.gz YPFYJCYWAIVVFF-STQMWFEESA-N 2 1 243.370 1.234 20 0 BDADMP CCCCC[C@@H](CCC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246587821 972983075 /nfs/dbraw/zinc/98/30/75/972983075.db2.gz VOZCRQFYGMHNEC-BFHYXJOUSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861916 973183265 /nfs/dbraw/zinc/18/32/65/973183265.db2.gz RJOLEMPSAYYRBA-HENWMNBSSA-N 2 1 224.348 1.081 20 0 BDADMP C[C@@H]1C[N@@H+](CC2Cc3ccccc3C2)C[C@H]1[NH3+] ZINC001206053071 970808827 /nfs/dbraw/zinc/80/88/27/970808827.db2.gz HXSXNDBYNUDWMG-IAQYHMDHSA-N 2 1 230.355 1.680 20 0 BDADMP C[N@@H+](CC1COC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573334 970866970 /nfs/dbraw/zinc/86/69/70/970866970.db2.gz GTXINUYRWZLCJT-UHFFFAOYSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]([NH3+])c1nccn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256612435 970879079 /nfs/dbraw/zinc/87/90/79/970879079.db2.gz GGHLZEQTCVLAKE-WSMDXJOWSA-N 2 1 234.347 1.701 20 0 BDADMP COC[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256622309 970887711 /nfs/dbraw/zinc/88/77/11/970887711.db2.gz HDVTWVTYNWWWPY-ICIURTGMSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256622309 970887721 /nfs/dbraw/zinc/88/77/21/970887721.db2.gz HDVTWVTYNWWWPY-ICIURTGMSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256622309 970887722 /nfs/dbraw/zinc/88/77/22/970887722.db2.gz HDVTWVTYNWWWPY-ICIURTGMSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@@H+](CCF)C1CCC([NH+]2CCOCC2)CC1 ZINC001256700509 970928124 /nfs/dbraw/zinc/92/81/24/970928124.db2.gz ZPUITYMKVNKPPZ-UHFFFAOYSA-N 2 1 244.354 1.531 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccncc1 ZINC001256718385 970936268 /nfs/dbraw/zinc/93/62/68/970936268.db2.gz IBPCYVLIMXEORC-LBPRGKRZSA-N 2 1 244.342 1.807 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)C1C[C@@H](C)O[C@H](C)C1 ZINC001257082541 971094413 /nfs/dbraw/zinc/09/44/13/971094413.db2.gz AAWGQDFKYQIHKP-GMTAPVOTSA-N 2 1 214.353 1.469 20 0 BDADMP CC[N@H+](CCOC)C1CC[NH+](C(C)C)CC1 ZINC001257213303 971127117 /nfs/dbraw/zinc/12/71/17/971127117.db2.gz KPLBXGMCUKWSRI-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CC[N@@H+](CCOC)C1CC[NH+](C(C)C)CC1 ZINC001257213303 971127121 /nfs/dbraw/zinc/12/71/21/971127121.db2.gz KPLBXGMCUKWSRI-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001257213337 971129677 /nfs/dbraw/zinc/12/96/77/971129677.db2.gz LUQPUKRIDBKQNW-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)N1CCC([N@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001257217327 971131649 /nfs/dbraw/zinc/13/16/49/971131649.db2.gz MCXDZDGCLASTIG-STQMWFEESA-N 2 1 224.348 1.332 20 0 BDADMP CCC[C@H](CC)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001257247229 971142422 /nfs/dbraw/zinc/14/24/22/971142422.db2.gz RVUBQTVKCFUCDJ-NWDGAFQWSA-N 2 1 244.379 1.825 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc3cc[nH]c32)C[C@H]1[NH3+] ZINC001206065047 971147563 /nfs/dbraw/zinc/14/75/63/971147563.db2.gz JIYBIQRKEVMFNL-ZWNOBZJWSA-N 2 1 229.327 1.947 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3cc[nH]c32)C[C@H]1[NH3+] ZINC001206065047 971147571 /nfs/dbraw/zinc/14/75/71/971147571.db2.gz JIYBIQRKEVMFNL-ZWNOBZJWSA-N 2 1 229.327 1.947 20 0 BDADMP CCc1ccc[nH+]c1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170560857 971181710 /nfs/dbraw/zinc/18/17/10/971181710.db2.gz APSOZCQVNNIGRY-ZYHUDNBSSA-N 2 1 235.331 1.433 20 0 BDADMP CCCC(CCC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257329842 971234765 /nfs/dbraw/zinc/23/47/65/971234765.db2.gz QHTMWAQPCZVAAR-GFCCVEGCSA-N 2 1 244.379 1.825 20 0 BDADMP [NH3+][C@H]1C[C@H](NCC[N@H+]2CC=CCC2)C12CCC2 ZINC000405335840 971238706 /nfs/dbraw/zinc/23/87/06/971238706.db2.gz ZFTAWSBLVQOFEY-STQMWFEESA-N 2 1 235.375 1.108 20 0 BDADMP [NH3+][C@H]1C[C@H](NCC[N@@H+]2CC=CCC2)C12CCC2 ZINC000405335840 971238714 /nfs/dbraw/zinc/23/87/14/971238714.db2.gz ZFTAWSBLVQOFEY-STQMWFEESA-N 2 1 235.375 1.108 20 0 BDADMP [NH3+][C@@H]1C[C@@H](NCC[N@H+]2CC=CCC2)C12CCC2 ZINC000405335833 971237752 /nfs/dbraw/zinc/23/77/52/971237752.db2.gz ZFTAWSBLVQOFEY-CHWSQXEVSA-N 2 1 235.375 1.108 20 0 BDADMP [NH3+][C@@H]1C[C@@H](NCC[N@@H+]2CC=CCC2)C12CCC2 ZINC000405335833 971237763 /nfs/dbraw/zinc/23/77/63/971237763.db2.gz ZFTAWSBLVQOFEY-CHWSQXEVSA-N 2 1 235.375 1.108 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405377425 971246968 /nfs/dbraw/zinc/24/69/68/971246968.db2.gz BTVBHCQKDSDYBP-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)C12CCC2 ZINC000405532324 971267600 /nfs/dbraw/zinc/26/76/00/971267600.db2.gz YNCXRCPTJQHPBG-MJBXVCDLSA-N 2 1 246.354 1.580 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)C12CCC2 ZINC000405532296 971267084 /nfs/dbraw/zinc/26/70/84/971267084.db2.gz YNCXRCPTJQHPBG-BFHYXJOUSA-N 2 1 246.354 1.580 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CO[C@H]1C ZINC000405661027 971288704 /nfs/dbraw/zinc/28/87/04/971288704.db2.gz NZFAXFLNJHKVMC-FMSGJZPZSA-N 2 1 238.375 1.484 20 0 BDADMP CCCC[C@H](CC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257414116 971309448 /nfs/dbraw/zinc/30/94/48/971309448.db2.gz ICFVOWLIWZHNCN-NEPJUHHUSA-N 2 1 239.363 1.887 20 0 BDADMP [NH3+]CCC[C@@H]([NH3+])c1nnc(CC2CCCC2)o1 ZINC001217696395 971334525 /nfs/dbraw/zinc/33/45/25/971334525.db2.gz PSDCZGBHTVLRDK-SNVBAGLBSA-N 2 1 238.335 1.541 20 0 BDADMP CC(C)CCc1nnc([C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217700000 971338431 /nfs/dbraw/zinc/33/84/31/971338431.db2.gz VSPXLCNRNDFJTL-JTQLQIEISA-N 2 1 240.351 1.787 20 0 BDADMP C[N@H+]1CCC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217829038 971424264 /nfs/dbraw/zinc/42/42/64/971424264.db2.gz DUVFLWFYKBGLAY-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@H+]1CC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217832838 971425108 /nfs/dbraw/zinc/42/51/08/971425108.db2.gz KYJOANHXYGLJIL-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH+](C)CCC(C)(C)Nc1ncnc2c1C[NH2+]C2 ZINC001158757839 971432812 /nfs/dbraw/zinc/43/28/12/971432812.db2.gz RDSLEVAZBBPQRI-UHFFFAOYSA-N 2 1 249.362 1.222 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC001258011728 971553269 /nfs/dbraw/zinc/55/32/69/971553269.db2.gz PFOHOGWANPJKKE-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP COC(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153726 974228732 /nfs/dbraw/zinc/22/87/32/974228732.db2.gz FIZATJBYKACFJX-GHMZBOCLSA-N 2 1 232.343 1.563 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153726 974228745 /nfs/dbraw/zinc/22/87/45/974228745.db2.gz FIZATJBYKACFJX-GHMZBOCLSA-N 2 1 232.343 1.563 20 0 BDADMP CC1(C)[C@@H]2C[C@H](n3c[nH+]cc3CC[NH3+])C[C@@H]21 ZINC001170713937 971624598 /nfs/dbraw/zinc/62/45/98/971624598.db2.gz TXVGTFSMKYRWLS-ZSBIGDGJSA-N 2 1 219.332 1.991 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCCOCC1 ZINC001170777339 971805488 /nfs/dbraw/zinc/80/54/88/971805488.db2.gz ZQYDMSBRCWEQED-NSHDSACASA-N 2 1 223.320 1.434 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCOCC1 ZINC001170819846 971905158 /nfs/dbraw/zinc/90/51/58/971905158.db2.gz HZJXMOFFNCRCOU-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C=Cc1ccc(NC(=O)C[NH2+]CCC[NH3+])cc1 ZINC001218840886 971952424 /nfs/dbraw/zinc/95/24/24/971952424.db2.gz HPOHWSPDUFNHLO-UHFFFAOYSA-N 2 1 233.315 1.207 20 0 BDADMP [NH3+]CCC[NH2+]CC(=O)Nc1ccc2cc[nH]c2c1 ZINC001218943398 971968539 /nfs/dbraw/zinc/96/85/39/971968539.db2.gz WBSPSMKXRGVINW-UHFFFAOYSA-N 2 1 246.314 1.045 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000311137184 971995356 /nfs/dbraw/zinc/99/53/56/971995356.db2.gz KOHCNNNVAUJUFD-OAHLLOKOSA-N 2 1 248.370 1.740 20 0 BDADMP CC(C)([NH3+])c1ccccc1N[C@@H](N)CCC[NH3+] ZINC001170902900 972073220 /nfs/dbraw/zinc/07/32/20/972073220.db2.gz HEDQCOWDFTWSQI-GFCCVEGCSA-N 2 1 236.363 1.316 20 0 BDADMP Cc1cc2cc(N[C@H](N)CCC[NH3+])ccc2c[nH+]1 ZINC001170904821 972081061 /nfs/dbraw/zinc/08/10/61/972081061.db2.gz PZDJKGVUOYRQGL-AWEZNQCLSA-N 2 1 244.342 1.979 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246029024 972122346 /nfs/dbraw/zinc/12/23/46/972122346.db2.gz KUZZREQFALRXMS-XQQFMLRXSA-N 2 1 246.370 1.689 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CCC(F)CC2)C[NH2+]1 ZINC001246082320 972139066 /nfs/dbraw/zinc/13/90/66/972139066.db2.gz QWRJDCKIRPCZBS-XKGSQUFQSA-N 2 1 214.328 1.997 20 0 BDADMP Cc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246080066 972136050 /nfs/dbraw/zinc/13/60/50/972136050.db2.gz HMQVAPYOCNQHML-PBWFPOADSA-N 2 1 231.343 1.763 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccco2)CC[NH2+]1 ZINC001246080848 972136967 /nfs/dbraw/zinc/13/69/67/972136967.db2.gz KRZPIPJLKWKJAH-MXWKQRLJSA-N 2 1 224.304 1.043 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001246100991 972159716 /nfs/dbraw/zinc/15/97/16/972159716.db2.gz IIRNMYWAURMSNZ-WRWGMCAJSA-N 2 1 212.337 1.142 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246105161 972170573 /nfs/dbraw/zinc/17/05/73/972170573.db2.gz MLKNLNPQOWKMRU-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@H]2CCC[NH2+][C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246116053 972179348 /nfs/dbraw/zinc/17/93/48/972179348.db2.gz ULSVEWNHRQOSJC-FVCCEPFGSA-N 3 1 239.407 1.493 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246116515 972180542 /nfs/dbraw/zinc/18/05/42/972180542.db2.gz FWZTYKXXSMZOLL-FVCCEPFGSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114472 972181049 /nfs/dbraw/zinc/18/10/49/972181049.db2.gz WQOOWWMCIZZXSF-VOAKCMCISA-N 3 1 225.380 1.105 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127210 972189404 /nfs/dbraw/zinc/18/94/04/972189404.db2.gz AXWUHUHLMZNZGJ-QWRGUYRKSA-N 2 1 212.337 1.143 20 0 BDADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186797 972213380 /nfs/dbraw/zinc/21/33/80/972213380.db2.gz HWLQSAOPNDSRES-SDDRHHMPSA-N 2 1 240.347 1.060 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246199153 972215403 /nfs/dbraw/zinc/21/54/03/972215403.db2.gz JDNRTJROLKEMOC-YNEHKIRRSA-N 3 1 225.380 1.106 20 0 BDADMP C[NH+](C)CCCCNc1[nH+]cnc2[nH]ccc21 ZINC000705210025 956947166 /nfs/dbraw/zinc/94/71/66/956947166.db2.gz ARJNIDXZVGAYOY-UHFFFAOYSA-N 2 1 233.319 1.663 20 0 BDADMP C1C[C@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC001246230574 972235847 /nfs/dbraw/zinc/23/58/47/972235847.db2.gz PQCQSIZUZNCYRN-RNJOBUHISA-N 2 1 208.349 1.907 20 0 BDADMP CN1CCC[C@H](C[N@H+]2CCCC23CC3)C1 ZINC001208603397 957088794 /nfs/dbraw/zinc/08/87/94/957088794.db2.gz CPGCGWHALDQIIH-LBPRGKRZSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC23CC3)C1 ZINC001208603397 957088806 /nfs/dbraw/zinc/08/88/06/957088806.db2.gz CPGCGWHALDQIIH-LBPRGKRZSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC23CC3)C1 ZINC001208603397 957088818 /nfs/dbraw/zinc/08/88/18/957088818.db2.gz CPGCGWHALDQIIH-LBPRGKRZSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC23CC3)C1 ZINC001208603397 957088830 /nfs/dbraw/zinc/08/88/30/957088830.db2.gz CPGCGWHALDQIIH-LBPRGKRZSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC23CC3)C1 ZINC001208603397 957088843 /nfs/dbraw/zinc/08/88/43/957088843.db2.gz CPGCGWHALDQIIH-LBPRGKRZSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(CSC3)C2)C1 ZINC001208613889 957098605 /nfs/dbraw/zinc/09/86/05/957098605.db2.gz ATGDSIIUJOVFJI-LLVKDONJSA-N 2 1 226.389 1.377 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(CSC3)C2)C1 ZINC001208613889 957098616 /nfs/dbraw/zinc/09/86/16/957098616.db2.gz ATGDSIIUJOVFJI-LLVKDONJSA-N 2 1 226.389 1.377 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246303602 972265076 /nfs/dbraw/zinc/26/50/76/972265076.db2.gz ITICMZZVUBFDIE-TUAOUCFPSA-N 3 1 227.396 1.480 20 0 BDADMP C[C@H]([NH3+])CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246306960 972266992 /nfs/dbraw/zinc/26/69/92/972266992.db2.gz UKJAVVFFRGUHFN-WODVXLOZSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]([NH3+])CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001246306960 972266995 /nfs/dbraw/zinc/26/69/95/972266995.db2.gz UKJAVVFFRGUHFN-WODVXLOZSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@H]([NH3+])CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246306960 972266998 /nfs/dbraw/zinc/26/69/98/972266998.db2.gz UKJAVVFFRGUHFN-WODVXLOZSA-N 3 1 225.380 1.329 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246306184 972267703 /nfs/dbraw/zinc/26/77/03/972267703.db2.gz QLFUCLUPNYQJFJ-SRVKXCTJSA-N 3 1 213.369 1.090 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209430367 957459830 /nfs/dbraw/zinc/45/98/30/957459830.db2.gz LOYZIVBBIOEAEY-YVECIDJPSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC[NH3+])CCC[C@]1(C)O ZINC001209846627 957541967 /nfs/dbraw/zinc/54/19/67/957541967.db2.gz VGBJDVPCTZDYEJ-NEPJUHHUSA-N 2 1 214.353 1.208 20 0 BDADMP C[N@H+]1CC[C@H](Nc2ccc(C3([NH3+])CC3)cc2)C1 ZINC001167278792 957628334 /nfs/dbraw/zinc/62/83/34/957628334.db2.gz SIHHOVSPWXJBNO-ZDUSSCGKSA-N 2 1 231.343 1.750 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CC[NH2+]1 ZINC001246332342 972295722 /nfs/dbraw/zinc/29/57/22/972295722.db2.gz IHPRGWJLXNDQKY-FQUUOJAGSA-N 3 1 237.391 1.521 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246451002 972321105 /nfs/dbraw/zinc/32/11/05/972321105.db2.gz SQBHSDDKZNLNMR-RFQIPJPRSA-N 3 1 239.407 1.482 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C[NH2+]1 ZINC001246461472 972335377 /nfs/dbraw/zinc/33/53/77/972335377.db2.gz JMBXTSXPNYXUMW-SYQHCUMBSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000707201869 958402061 /nfs/dbraw/zinc/40/20/61/958402061.db2.gz VUOVNRNQOXNVEW-NEPJUHHUSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000707201869 958402068 /nfs/dbraw/zinc/40/20/68/958402068.db2.gz VUOVNRNQOXNVEW-NEPJUHHUSA-N 2 1 224.348 1.382 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)n[nH]c1C ZINC001276823766 972349943 /nfs/dbraw/zinc/34/99/43/972349943.db2.gz YUFHMMARKQKGLE-YHWZYXNKSA-N 2 1 248.374 1.741 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)n[nH]c1C ZINC001276823766 972349954 /nfs/dbraw/zinc/34/99/54/972349954.db2.gz YUFHMMARKQKGLE-YHWZYXNKSA-N 2 1 248.374 1.741 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399033060 958493716 /nfs/dbraw/zinc/49/37/16/958493716.db2.gz MWOJHBNFDJKCPG-IJLUTSLNSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)(O)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000707559041 958577571 /nfs/dbraw/zinc/57/75/71/958577571.db2.gz RSMFSCLOWLWROF-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP COc1ccccc1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693546053 958754772 /nfs/dbraw/zinc/75/47/72/958754772.db2.gz NIRNZLIWHFQBTB-BJHJDKERSA-N 2 1 234.343 1.864 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](N3CCCC3)C2)C1 ZINC000693569998 958865078 /nfs/dbraw/zinc/86/50/78/958865078.db2.gz UYZGKFBVYPTTIK-MJBXVCDLSA-N 2 1 237.391 1.284 20 0 BDADMP [NH3+][C@H]1C[C@@H](CN2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000693569998 958865079 /nfs/dbraw/zinc/86/50/79/958865079.db2.gz UYZGKFBVYPTTIK-MJBXVCDLSA-N 2 1 237.391 1.284 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693586063 958888232 /nfs/dbraw/zinc/88/82/32/958888232.db2.gz QMALMIVMBUVJEX-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1-n1cccc1C[NH3+] ZINC001167589853 958977877 /nfs/dbraw/zinc/97/78/77/958977877.db2.gz NDDMRFNXHVWZSV-UHFFFAOYSA-N 2 1 230.315 1.705 20 0 BDADMP OCCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154203 972396537 /nfs/dbraw/zinc/39/65/37/972396537.db2.gz IIICUGHKZIRHGC-AWEZNQCLSA-N 2 1 240.391 1.615 20 0 BDADMP C1=CO[C@@H](C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001222232012 972413735 /nfs/dbraw/zinc/41/37/35/972413735.db2.gz SBTXAWYYICQTPH-ZIAGYGMSSA-N 2 1 236.359 1.897 20 0 BDADMP C1=CO[C@@H](C[N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001222232012 972413737 /nfs/dbraw/zinc/41/37/37/972413737.db2.gz SBTXAWYYICQTPH-ZIAGYGMSSA-N 2 1 236.359 1.897 20 0 BDADMP COCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222238023 972422523 /nfs/dbraw/zinc/42/25/23/972422523.db2.gz YOJGCWQAEWHHAH-ZDUSSCGKSA-N 2 1 226.364 1.631 20 0 BDADMP CC(C)OCC[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530844 972434625 /nfs/dbraw/zinc/43/46/25/972434625.db2.gz OHZZDCHYDNHMRR-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530844 972434635 /nfs/dbraw/zinc/43/46/35/972434635.db2.gz OHZZDCHYDNHMRR-VXGBXAGGSA-N 2 1 214.353 1.613 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347098 972441020 /nfs/dbraw/zinc/44/10/20/972441020.db2.gz WBKRVZPRYIPPCV-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347098 972441022 /nfs/dbraw/zinc/44/10/22/972441022.db2.gz WBKRVZPRYIPPCV-AWEZNQCLSA-N 2 1 237.391 1.204 20 0 BDADMP FC1(F)C[NH2+]CC[C@H]1OCC[C@@H]1CCC[NH2+]C1 ZINC001217780679 959592493 /nfs/dbraw/zinc/59/24/93/959592493.db2.gz DVNOLCSVSONULB-WDEREUQCSA-N 2 1 248.317 1.390 20 0 BDADMP COC(=O)CC(C)(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000694066885 959710850 /nfs/dbraw/zinc/71/08/50/959710850.db2.gz YNDGDUZOJADMKF-LLVKDONJSA-N 2 1 242.363 1.402 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@](C)([NH3+])C1)C2 ZINC001246533019 972458600 /nfs/dbraw/zinc/45/86/00/972458600.db2.gz ZDJWBHCLBHNLIF-UKRRQHHQSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@](C)([NH3+])C1)C2 ZINC001246533019 972458604 /nfs/dbraw/zinc/45/86/04/972458604.db2.gz ZDJWBHCLBHNLIF-UKRRQHHQSA-N 2 1 246.354 1.586 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccncn2)C1 ZINC000309332234 959850148 /nfs/dbraw/zinc/85/01/48/959850148.db2.gz JCGHEYGSJHBDRS-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP C[NH+]1CCC(C)(CN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925633467 960483510 /nfs/dbraw/zinc/48/35/10/960483510.db2.gz XERHIRWTRULWLL-LBPRGKRZSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1[nH]c(CN2CCC[C@@]23CCC[NH2+]C3)c(C)[nH+]1 ZINC001222252514 960516706 /nfs/dbraw/zinc/51/67/06/960516706.db2.gz GBIZQMQGEKPBFQ-CQSZACIVSA-N 2 1 248.374 1.745 20 0 BDADMP O[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799406 960580216 /nfs/dbraw/zinc/58/02/16/960580216.db2.gz CKBUJZFISNGQAE-LLVKDONJSA-N 2 1 231.299 1.520 20 0 BDADMP O[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140799406 960580226 /nfs/dbraw/zinc/58/02/26/960580226.db2.gz CKBUJZFISNGQAE-LLVKDONJSA-N 2 1 231.299 1.520 20 0 BDADMP OC[C@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802168 960598316 /nfs/dbraw/zinc/59/83/16/960598316.db2.gz PMMSIQHRSXKXGS-LLVKDONJSA-N 2 1 231.299 1.520 20 0 BDADMP OC[C@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802168 960598327 /nfs/dbraw/zinc/59/83/27/960598327.db2.gz PMMSIQHRSXKXGS-LLVKDONJSA-N 2 1 231.299 1.520 20 0 BDADMP CCSC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000709481641 960619650 /nfs/dbraw/zinc/61/96/50/960619650.db2.gz HRGFIPQUGJZTIU-GHMZBOCLSA-N 2 1 216.394 1.669 20 0 BDADMP CCSC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000709481645 960619797 /nfs/dbraw/zinc/61/97/97/960619797.db2.gz HRGFIPQUGJZTIU-QWRGUYRKSA-N 2 1 216.394 1.669 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(O)CC2)CC[NH2+]1 ZINC000709492773 960627260 /nfs/dbraw/zinc/62/72/60/960627260.db2.gz CPLOXASMGQDDCM-FRRDWIJNSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)CC2)CC[NH2+]1 ZINC000709492768 960628129 /nfs/dbraw/zinc/62/81/29/960628129.db2.gz CPLOXASMGQDDCM-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](OC2CC[NH+](C)CC2)C1 ZINC001222503984 960662218 /nfs/dbraw/zinc/66/22/18/960662218.db2.gz MALACXJFCKHKSU-CQSZACIVSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)[nH]n1 ZINC001203081550 960746706 /nfs/dbraw/zinc/74/67/06/960746706.db2.gz BLNZTZZDIKNXDB-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n[nH]1 ZINC001203081550 960746729 /nfs/dbraw/zinc/74/67/29/960746729.db2.gz BLNZTZZDIKNXDB-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n[nH]1 ZINC001203081550 960746742 /nfs/dbraw/zinc/74/67/42/960746742.db2.gz BLNZTZZDIKNXDB-UHFFFAOYSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1ncoc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001141053635 960844899 /nfs/dbraw/zinc/84/48/99/960844899.db2.gz KFWJMAMEEJDPAK-UHFFFAOYSA-N 2 1 235.331 1.511 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000300057555 961005420 /nfs/dbraw/zinc/00/54/20/961005420.db2.gz QGCYCOXIXNZDKB-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000687214328 961204373 /nfs/dbraw/zinc/20/43/73/961204373.db2.gz IXAJRMMHBFTJBG-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCN(C(=O)c2cccc(NC=[NH2+])c2)CC1 ZINC001167868102 961357907 /nfs/dbraw/zinc/35/79/07/961357907.db2.gz RMFLFDBMEMQXJB-UHFFFAOYSA-N 2 1 246.314 1.093 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@H](c3ccccn3)C2)CC[NH2+]C1 ZINC000843115643 961874543 /nfs/dbraw/zinc/87/45/43/961874543.db2.gz MZJNLTBFMPNAGE-UKRRQHHQSA-N 2 1 245.370 1.871 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206632360 962121812 /nfs/dbraw/zinc/12/18/12/962121812.db2.gz JTAXJZWCIXBDMI-GFCCVEGCSA-N 2 1 249.358 1.656 20 0 BDADMP COc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)nc1 ZINC001206632657 962140266 /nfs/dbraw/zinc/14/02/66/962140266.db2.gz NDCSKXYWAPPHHQ-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)nc1 ZINC001206632657 962140275 /nfs/dbraw/zinc/14/02/75/962140275.db2.gz NDCSKXYWAPPHHQ-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ccoc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639917 962263246 /nfs/dbraw/zinc/26/32/46/962263246.db2.gz GJUKZHOQGSBDQM-LLVKDONJSA-N 2 1 238.331 1.849 20 0 BDADMP COc1ccoc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639917 962263255 /nfs/dbraw/zinc/26/32/55/962263255.db2.gz GJUKZHOQGSBDQM-LLVKDONJSA-N 2 1 238.331 1.849 20 0 BDADMP C[C@@H](C[NH+](C)C)Nc1cccc(N(C)C)[nH+]1 ZINC001155913762 963201111 /nfs/dbraw/zinc/20/11/11/963201111.db2.gz DGEJQONONNYSAC-JTQLQIEISA-N 2 1 222.336 1.510 20 0 BDADMP CN(C)c1cccc(N[C@H]2CC[N@H+](C)C2)[nH+]1 ZINC001156575830 963389758 /nfs/dbraw/zinc/38/97/58/963389758.db2.gz MUTSYKQGWXJUNY-JTQLQIEISA-N 2 1 220.320 1.264 20 0 BDADMP CN(C)c1cccc(N[C@H]2CC[N@@H+](C)C2)[nH+]1 ZINC001156575830 963389768 /nfs/dbraw/zinc/38/97/68/963389768.db2.gz MUTSYKQGWXJUNY-JTQLQIEISA-N 2 1 220.320 1.264 20 0 BDADMP CC1(C)CC([NH3+])CC(C)(C)N1c1cc[nH+]c(N)n1 ZINC001156773966 963456772 /nfs/dbraw/zinc/45/67/72/963456772.db2.gz PGZSNFPUQODFMH-UHFFFAOYSA-N 2 1 249.362 1.544 20 0 BDADMP C[N@@H+]1CCC[C@@H]2CN(c3cccc(N)[nH+]3)C[C@@H]21 ZINC001157263803 963568125 /nfs/dbraw/zinc/56/81/25/963568125.db2.gz CELJMTPZGVIQLE-MNOVXSKESA-N 2 1 232.331 1.194 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(c3cccc(N)[nH+]3)C[C@@H]21 ZINC001157263803 963568130 /nfs/dbraw/zinc/56/81/30/963568130.db2.gz CELJMTPZGVIQLE-MNOVXSKESA-N 2 1 232.331 1.194 20 0 BDADMP Cc1[nH+]cn(C[C@H]2CCCC[NH2+]C2)c1C ZINC000697002128 963620604 /nfs/dbraw/zinc/62/06/04/963620604.db2.gz XWCOIZKWIKYLAC-LBPRGKRZSA-N 2 1 207.321 1.890 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N3CC[C@@](F)(C[NH3+])C3)c12 ZINC001157809729 963733846 /nfs/dbraw/zinc/73/38/46/963733846.db2.gz SJMYXCURAODVGY-GFCCVEGCSA-N 2 1 249.293 1.143 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001168111313 963749353 /nfs/dbraw/zinc/74/93/53/963749353.db2.gz APHGLGONNHDNIP-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCO1 ZINC001168111313 963749358 /nfs/dbraw/zinc/74/93/58/963749358.db2.gz APHGLGONNHDNIP-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCO1 ZINC001168111313 963749363 /nfs/dbraw/zinc/74/93/63/963749363.db2.gz APHGLGONNHDNIP-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000689459046 963923247 /nfs/dbraw/zinc/92/32/47/963923247.db2.gz CDFVYNGPPGUULP-AGIUHOORSA-N 2 1 228.355 1.914 20 0 BDADMP CCc1nc(N2C[C@@H](C[NH3+])CC[C@H]2C)cc(C)[nH+]1 ZINC000302537368 964095174 /nfs/dbraw/zinc/09/51/74/964095174.db2.gz SLSCWIMSPDBYLY-VXGBXAGGSA-N 2 1 248.374 1.911 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC000725661332 964228071 /nfs/dbraw/zinc/22/80/71/964228071.db2.gz MJYXLKQMIYFGTB-QWRGUYRKSA-N 2 1 214.378 1.695 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168303732 964397240 /nfs/dbraw/zinc/39/72/40/964397240.db2.gz AUGVROVTSDQYBA-PNESKVBLSA-N 3 1 227.396 1.386 20 0 BDADMP CCCOC(=O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168311895 964413808 /nfs/dbraw/zinc/41/38/08/964413808.db2.gz DILDDKCEIYDPBB-UHFFFAOYSA-N 2 1 242.363 1.402 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCOC(C)(C)C2)CC1 ZINC001168314284 964420440 /nfs/dbraw/zinc/42/04/40/964420440.db2.gz BMYRBOGCDNGOEE-UHFFFAOYSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001168313413 964421925 /nfs/dbraw/zinc/42/19/25/964421925.db2.gz BUZDFCPUCLBNSM-RUXDESIVSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCO1 ZINC001168315338 964425821 /nfs/dbraw/zinc/42/58/21/964425821.db2.gz UWFAVFSEWAXDKU-HIFPTAJRSA-N 2 1 226.364 1.580 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001168315033 964426632 /nfs/dbraw/zinc/42/66/32/964426632.db2.gz PPMUTMKSWSRNNC-IFWUJCSASA-N 2 1 244.354 1.264 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CCn3ccnc3C2)CC1 ZINC001168319017 964434277 /nfs/dbraw/zinc/43/42/77/964434277.db2.gz LGLMKOJYKXHPTR-UHFFFAOYSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCn3ccnc3C2)CC1 ZINC001168319017 964434282 /nfs/dbraw/zinc/43/42/82/964434282.db2.gz LGLMKOJYKXHPTR-UHFFFAOYSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168316345 964436486 /nfs/dbraw/zinc/43/64/86/964436486.db2.gz YCJZYOWKVVOWQZ-UHFFFAOYSA-N 3 1 241.423 1.743 20 0 BDADMP CN(C)CCC[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168316345 964436492 /nfs/dbraw/zinc/43/64/92/964436492.db2.gz YCJZYOWKVVOWQZ-UHFFFAOYSA-N 2 1 241.423 1.743 20 0 BDADMP CN(C)CCC[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168316345 964436502 /nfs/dbraw/zinc/43/65/02/964436502.db2.gz YCJZYOWKVVOWQZ-UHFFFAOYSA-N 2 1 241.423 1.743 20 0 BDADMP CC[N@@H+](C1CN(C)C1)C1CCC([NH+](C)C)CC1 ZINC001168329446 964460223 /nfs/dbraw/zinc/46/02/23/964460223.db2.gz UKGMZASPZIQWHZ-UHFFFAOYSA-N 2 1 239.407 1.495 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C)C1CCC1)C[NH+](C)C ZINC000926959251 964532129 /nfs/dbraw/zinc/53/21/29/964532129.db2.gz APFRKTYOXIHLOT-AAEUAGOBSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1cnn(C)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697825423 964549017 /nfs/dbraw/zinc/54/90/17/964549017.db2.gz OBJNSUALRRFVJI-LLVKDONJSA-N 2 1 224.352 1.158 20 0 BDADMP Cc1nc(N[C@H]2C[C@@](C)([NH3+])C2)cc(N(C)C)[nH+]1 ZINC001162325212 964932289 /nfs/dbraw/zinc/93/22/89/964932289.db2.gz SISTYEYLBJMRGJ-WVSHTKLVSA-N 2 1 235.335 1.143 20 0 BDADMP CCc1nc(N[C@H]2C[C@@](C)([NH3+])C2)cc(C)[nH+]1 ZINC001162328955 964934218 /nfs/dbraw/zinc/93/42/18/964934218.db2.gz UDXUYQJARLZZNB-WVSHTKLVSA-N 2 1 220.320 1.639 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@@H]1CCC[N@@H+]1C)C2 ZINC001224817960 964992128 /nfs/dbraw/zinc/99/21/28/964992128.db2.gz FBPBKKJAPAILIH-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001224817960 964992132 /nfs/dbraw/zinc/99/21/32/964992132.db2.gz FBPBKKJAPAILIH-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224817960 964992140 /nfs/dbraw/zinc/99/21/40/964992140.db2.gz FBPBKKJAPAILIH-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224921567 965090737 /nfs/dbraw/zinc/09/07/37/965090737.db2.gz AGTIGTQZMUELSS-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1cc(N[C@@H]2CC[NH2+][C@@H]2C)c2[nH+]ccn2c1 ZINC001162678137 965108002 /nfs/dbraw/zinc/10/80/02/965108002.db2.gz XSCUXVRLZXTXON-GHMZBOCLSA-N 2 1 230.315 1.805 20 0 BDADMP COC(=[NH2+])c1cccc(N[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC001162676843 965109624 /nfs/dbraw/zinc/10/96/24/965109624.db2.gz YHMUZAYWCADMOT-BXKDBHETSA-N 2 1 233.315 1.821 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@H]1CCC[NH2+]1 ZINC000400383359 965478045 /nfs/dbraw/zinc/47/80/45/965478045.db2.gz XOVHSNACCVRKJE-QJPTWQEYSA-N 2 1 210.321 1.409 20 0 BDADMP C[C@H](C[NH+](C)C)Nc1cccn2c[nH+]cc12 ZINC001163782638 965587870 /nfs/dbraw/zinc/58/78/70/965587870.db2.gz NGFNQIZIUKJUFU-SNVBAGLBSA-N 2 1 218.304 1.696 20 0 BDADMP Cc1ccnc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205094664 965729339 /nfs/dbraw/zinc/72/93/39/965729339.db2.gz NSPSRXAYDPQHSY-LBPRGKRZSA-N 2 1 219.332 1.703 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095030 965734620 /nfs/dbraw/zinc/73/46/20/965734620.db2.gz SXRVMYWSABDGPY-LBPRGKRZSA-N 3 1 213.369 1.319 20 0 BDADMP COc1cccnc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095148 965738292 /nfs/dbraw/zinc/73/82/92/965738292.db2.gz UVAGPPHCUIEKLV-LLVKDONJSA-N 2 1 235.331 1.403 20 0 BDADMP COc1cccnc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095148 965738301 /nfs/dbraw/zinc/73/83/01/965738301.db2.gz UVAGPPHCUIEKLV-LLVKDONJSA-N 2 1 235.331 1.403 20 0 BDADMP COC(=[NH2+])c1cccc(N2CC[C@H]([NH3+])C2)c1 ZINC001164286032 965829672 /nfs/dbraw/zinc/82/96/72/965829672.db2.gz DAGDXYNXRJQFEI-JTQLQIEISA-N 2 1 219.288 1.196 20 0 BDADMP [NH3+][C@@H]1CCN(c2cc3[nH+]c[nH]c3cc2F)C1 ZINC001164285922 965829921 /nfs/dbraw/zinc/82/99/21/965829921.db2.gz ASSZQHSNQZCIPQ-SSDOTTSWSA-N 2 1 220.251 1.239 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205109613 965831359 /nfs/dbraw/zinc/83/13/59/965831359.db2.gz ITHVDRXWSHEOJP-CQSZACIVSA-N 3 1 233.359 1.459 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccncc2O)CC1 ZINC001205109589 965831417 /nfs/dbraw/zinc/83/14/17/965831417.db2.gz ILHBSWMCXXUUGR-LLVKDONJSA-N 2 1 221.304 1.100 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccncc2O)CC1 ZINC001205109589 965831424 /nfs/dbraw/zinc/83/14/24/965831424.db2.gz ILHBSWMCXXUUGR-LLVKDONJSA-N 2 1 221.304 1.100 20 0 BDADMP Nc1ccc(F)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117846 965869676 /nfs/dbraw/zinc/86/96/76/965869676.db2.gz WWSTZWLCBZMZGH-LBPRGKRZSA-N 2 1 237.322 1.721 20 0 BDADMP Nc1ccc(F)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117846 965869686 /nfs/dbraw/zinc/86/96/86/965869686.db2.gz WWSTZWLCBZMZGH-LBPRGKRZSA-N 2 1 237.322 1.721 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])CN1c1[nH+]cccc1N ZINC001164460919 965893454 /nfs/dbraw/zinc/89/34/54/965893454.db2.gz GKYDCUCPLVIDSG-NXEZZACHSA-N 2 1 220.320 1.227 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000699528296 965942883 /nfs/dbraw/zinc/94/28/83/965942883.db2.gz XUMFEUQOCWCBQK-NWDGAFQWSA-N 2 1 223.320 1.206 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000699534795 965948665 /nfs/dbraw/zinc/94/86/65/965948665.db2.gz SOSLJDRUAURRIT-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC000715227469 965980898 /nfs/dbraw/zinc/98/08/98/965980898.db2.gz LGLGJSWAGBIEQB-WXRRBKDZSA-N 3 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CC[C@@](C)(N)C2)CC1 ZINC000715227469 965980917 /nfs/dbraw/zinc/98/09/17/965980917.db2.gz LGLGJSWAGBIEQB-WXRRBKDZSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@](C)(N)C2)CC1 ZINC000715227469 965980932 /nfs/dbraw/zinc/98/09/32/965980932.db2.gz LGLGJSWAGBIEQB-WXRRBKDZSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC(N2CC[C@@](C)([NH3+])C2)CC1 ZINC000715227469 965980957 /nfs/dbraw/zinc/98/09/57/965980957.db2.gz LGLGJSWAGBIEQB-WXRRBKDZSA-N 2 1 225.380 1.282 20 0 BDADMP CC/C=C\CCC[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053037 965998773 /nfs/dbraw/zinc/99/87/73/965998773.db2.gz IPZYCSZSSVASNI-VQTKUKTRSA-N 2 1 237.391 1.370 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H]3CCC[C@H]32)O1 ZINC001235889864 966133550 /nfs/dbraw/zinc/13/35/50/966133550.db2.gz AGINPKWULUYDCL-RWMBFGLXSA-N 2 1 238.375 1.975 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H]3CCC[C@H]32)O1 ZINC001235889864 966133560 /nfs/dbraw/zinc/13/35/60/966133560.db2.gz AGINPKWULUYDCL-RWMBFGLXSA-N 2 1 238.375 1.975 20 0 BDADMP CC1(C[NH3+])C[NH+](CCCc2cccnc2)C1 ZINC001206710953 966183680 /nfs/dbraw/zinc/18/36/80/966183680.db2.gz BOEITNAYTSWLJB-UHFFFAOYSA-N 2 1 219.332 1.295 20 0 BDADMP Cc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206711191 966189764 /nfs/dbraw/zinc/18/97/64/966189764.db2.gz GIUGYIHDCKKKFA-UHFFFAOYSA-N 2 1 204.317 1.776 20 0 BDADMP CC1(C[NH3+])C[NH+](Cc2c[nH]c3ccccc23)C1 ZINC001206711534 966197581 /nfs/dbraw/zinc/19/75/81/966197581.db2.gz JXRMDKTYZAKIRX-UHFFFAOYSA-N 2 1 229.327 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3c2CCN3)C1 ZINC001236052428 966257412 /nfs/dbraw/zinc/25/74/12/966257412.db2.gz QUYPXITYBWBGBZ-YPMHNXCESA-N 2 1 245.370 1.824 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001236052428 966257427 /nfs/dbraw/zinc/25/74/27/966257427.db2.gz QUYPXITYBWBGBZ-YPMHNXCESA-N 2 1 245.370 1.824 20 0 BDADMP Cc1cc(-n2ccnc2CC[NH3+])c2[nH+]ccn2c1 ZINC001166369896 966276348 /nfs/dbraw/zinc/27/63/48/966276348.db2.gz MUGOLNHWUXGLFJ-UHFFFAOYSA-N 2 1 241.298 1.330 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236170709 966290970 /nfs/dbraw/zinc/29/09/70/966290970.db2.gz ZDMLRUUBYALPRR-LLVKDONJSA-N 2 1 228.336 1.141 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236170709 966290976 /nfs/dbraw/zinc/29/09/76/966290976.db2.gz ZDMLRUUBYALPRR-LLVKDONJSA-N 2 1 228.336 1.141 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@]1(C)CCCNC1 ZINC001236200738 966308219 /nfs/dbraw/zinc/30/82/19/966308219.db2.gz JHQFVJPMEXZPDO-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@]1(C)CCCNC1 ZINC001236200738 966308229 /nfs/dbraw/zinc/30/82/29/966308229.db2.gz JHQFVJPMEXZPDO-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384727 966653519 /nfs/dbraw/zinc/65/35/19/966653519.db2.gz XSBIGMBTGCZHEW-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384727 966653526 /nfs/dbraw/zinc/65/35/26/966653526.db2.gz XSBIGMBTGCZHEW-KBPBESRZSA-N 2 1 239.407 1.579 20 0 BDADMP CCCCC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210512 966847071 /nfs/dbraw/zinc/84/70/71/966847071.db2.gz PGCPGQZXSYGKMM-GFCCVEGCSA-N 2 1 214.353 1.352 20 0 BDADMP CN1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000715579046 967188386 /nfs/dbraw/zinc/18/83/86/967188386.db2.gz GVSYUNXWBSAQKG-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000715579044 967188649 /nfs/dbraw/zinc/18/86/49/967188649.db2.gz GVSYUNXWBSAQKG-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000715580901 967191703 /nfs/dbraw/zinc/19/17/03/967191703.db2.gz OEGJTRHLNWQSNI-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000715580901 967191717 /nfs/dbraw/zinc/19/17/17/967191717.db2.gz OEGJTRHLNWQSNI-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC(C[N@@H+](CCO)C2CCCC2)CC1 ZINC000691350260 967261626 /nfs/dbraw/zinc/26/16/26/967261626.db2.gz MXJHAOPQXVMDMV-UHFFFAOYSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1CCC12CC([NH3+])(C1)C2 ZINC001205058254 967314809 /nfs/dbraw/zinc/31/48/09/967314809.db2.gz HWUGZHSLVMNMMK-ZSVAQUKISA-N 2 1 223.364 1.070 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CCC23CC([NH3+])(C2)C3)CC1 ZINC001205088687 967337917 /nfs/dbraw/zinc/33/79/17/967337917.db2.gz RNOPPEOQFGILAK-HIFPTAJRSA-N 3 1 223.364 1.071 20 0 BDADMP CC1(C)OCC(C[N@H+]2CCC[C@@H]([NH3+])CC2)CO1 ZINC001205095562 967339139 /nfs/dbraw/zinc/33/91/39/967339139.db2.gz YWJGFGYYAIQQRV-GFCCVEGCSA-N 2 1 242.363 1.199 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205093474 967341158 /nfs/dbraw/zinc/34/11/58/967341158.db2.gz AYJORKNJHDAPOC-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3nccn3c2)CC1 ZINC001205109302 967352509 /nfs/dbraw/zinc/35/25/09/967352509.db2.gz DROJSEMHWMNQHC-ZDUSSCGKSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)CC1 ZINC001205109523 967355377 /nfs/dbraw/zinc/35/53/77/967355377.db2.gz HMTCKLNQMLRXIJ-GFCCVEGCSA-N 2 1 248.326 1.729 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)CC1 ZINC001205109523 967355383 /nfs/dbraw/zinc/35/53/83/967355383.db2.gz HMTCKLNQMLRXIJ-GFCCVEGCSA-N 2 1 248.326 1.729 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)nc1C ZINC001205131159 967374967 /nfs/dbraw/zinc/37/49/67/967374967.db2.gz RJDWQPFETKTWQE-LBPRGKRZSA-N 2 1 249.358 1.712 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)nc1C ZINC001205131159 967374980 /nfs/dbraw/zinc/37/49/80/967374980.db2.gz RJDWQPFETKTWQE-LBPRGKRZSA-N 2 1 249.358 1.712 20 0 BDADMP C[C@H]1C[N@@H+](CC2Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC001205131372 967375543 /nfs/dbraw/zinc/37/55/43/967375543.db2.gz WLMXLLHIKLJDOU-BLLLJJGKSA-N 2 1 244.382 1.928 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)C[C@H]1C[NH3+] ZINC001205140942 967385918 /nfs/dbraw/zinc/38/59/18/967385918.db2.gz UBYFMEXMUTUGGG-WCQYABFASA-N 2 1 248.374 1.174 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1C[NH3+] ZINC001205140921 967386781 /nfs/dbraw/zinc/38/67/81/967386781.db2.gz RUVCXDAEDIHLTM-GXSJLCMTSA-N 2 1 246.314 1.249 20 0 BDADMP COc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1N ZINC001205145813 967388724 /nfs/dbraw/zinc/38/87/24/967388724.db2.gz IUFXUHJHGXAATJ-CMPLNLGQSA-N 2 1 249.358 1.304 20 0 BDADMP CCOc1ccnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205145764 967390051 /nfs/dbraw/zinc/39/00/51/967390051.db2.gz FYEKVHMYDCQLTG-NWDGAFQWSA-N 2 1 249.358 1.507 20 0 BDADMP CCOc1ccnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205145764 967390063 /nfs/dbraw/zinc/39/00/63/967390063.db2.gz FYEKVHMYDCQLTG-NWDGAFQWSA-N 2 1 249.358 1.507 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(C)n1 ZINC001205146395 967391840 /nfs/dbraw/zinc/39/18/40/967391840.db2.gz UHNMUXWRVPZODH-IINYFYTJSA-N 2 1 233.359 1.725 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC001205156496 967401683 /nfs/dbraw/zinc/40/16/83/967401683.db2.gz YIDIFGRTCQTQFY-QWHCGFSZSA-N 2 1 233.359 1.725 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001205255529 967444383 /nfs/dbraw/zinc/44/43/83/967444383.db2.gz JYDSDLQNJUVLAH-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CC2CCOCC2)CC1 ZINC001205255484 967445916 /nfs/dbraw/zinc/44/59/16/967445916.db2.gz JMEGHXFFFJMWJO-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP CCC1(C[N@H+]2CCC[C@](C)([NH3+])CC2)COC1 ZINC001205255866 967446597 /nfs/dbraw/zinc/44/65/97/967446597.db2.gz MKEREAGPEFBTNG-LBPRGKRZSA-N 2 1 226.364 1.616 20 0 BDADMP COc1cnccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265627 967456494 /nfs/dbraw/zinc/45/64/94/967456494.db2.gz QAIHTCNKACOYPK-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cnccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205265627 967456499 /nfs/dbraw/zinc/45/64/99/967456499.db2.gz QAIHTCNKACOYPK-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)nc2)CC1 ZINC001205265230 967459326 /nfs/dbraw/zinc/45/93/26/967459326.db2.gz OWARDRAFOJBPBW-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)nc2)CC1 ZINC001205265230 967459334 /nfs/dbraw/zinc/45/93/34/967459334.db2.gz OWARDRAFOJBPBW-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC001205280767 967470696 /nfs/dbraw/zinc/47/06/96/967470696.db2.gz IKXCZCCULCROAG-AWEZNQCLSA-N 2 1 233.359 1.972 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2[nH]nc3c2CCC3)CC1 ZINC001205280723 967471595 /nfs/dbraw/zinc/47/15/95/967471595.db2.gz HFLJGFKXQHEVRI-AWEZNQCLSA-N 2 1 248.374 1.602 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2[nH]nc3c2CCC3)CC1 ZINC001205280723 967471603 /nfs/dbraw/zinc/47/16/03/967471603.db2.gz HFLJGFKXQHEVRI-AWEZNQCLSA-N 2 1 248.374 1.602 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cn[nH]c2)CC1 ZINC001205546775 967656574 /nfs/dbraw/zinc/65/65/74/967656574.db2.gz YRARCHIGMDRYLO-NSHDSACASA-N 2 1 226.299 1.063 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546186 967692295 /nfs/dbraw/zinc/69/22/95/967692295.db2.gz RJDCWSZUWMDQEI-ZDUSSCGKSA-N 2 1 239.338 1.678 20 0 BDADMP COCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545631 967693086 /nfs/dbraw/zinc/69/30/86/967693086.db2.gz KUUUSKGFPMUPBY-GFCCVEGCSA-N 2 1 232.343 1.566 20 0 BDADMP Cc1nccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)n1 ZINC001205618405 967724574 /nfs/dbraw/zinc/72/45/74/967724574.db2.gz VTDZUAHQULKGDM-YPMHNXCESA-N 2 1 248.374 1.592 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cscn2)CC[C@H]1C[NH3+] ZINC001205615799 967724712 /nfs/dbraw/zinc/72/47/12/967724712.db2.gz BDHRUHSTZOYYSS-MNOVXSKESA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnco2)CC[C@H]1C[NH3+] ZINC001205627606 967734336 /nfs/dbraw/zinc/73/43/36/967734336.db2.gz RDLHOQYTZBBGRH-MNOVXSKESA-N 2 1 223.320 1.481 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001205664580 967758151 /nfs/dbraw/zinc/75/81/51/967758151.db2.gz OIXWQCQORBCETC-ZIAGYGMSSA-N 2 1 238.375 1.518 20 0 BDADMP Cc1cncc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205672820 967763867 /nfs/dbraw/zinc/76/38/67/967763867.db2.gz LWQJIRASMKQTDC-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205683100 967776264 /nfs/dbraw/zinc/77/62/64/967776264.db2.gz XOIWEKHAYNIBNQ-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205683100 967776266 /nfs/dbraw/zinc/77/62/66/967776266.db2.gz XOIWEKHAYNIBNQ-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP [NH3+]CCCC[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001205895536 967876045 /nfs/dbraw/zinc/87/60/45/967876045.db2.gz IBJGTGMVBQLQFC-RKDXNWHRSA-N 2 1 242.260 1.805 20 0 BDADMP C[C@H]1C[N@@H+](CCCC[NH3+])CCC1(F)F ZINC001205902252 967879138 /nfs/dbraw/zinc/87/91/38/967879138.db2.gz JHTAUAKJXQDNFH-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP CCC[N@@H+](CC1CC(OC)C1)C1CC[NH2+]CC1 ZINC000703888197 967881287 /nfs/dbraw/zinc/88/12/87/967881287.db2.gz YCDFAWGNAZARQH-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3ccccc23)C[C@H]1O ZINC001205946037 967896870 /nfs/dbraw/zinc/89/68/70/967896870.db2.gz HSTPISKCHYASKZ-TZMCWYRMSA-N 2 1 245.326 1.062 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3ccccc23)C[C@H]1O ZINC001205946037 967896872 /nfs/dbraw/zinc/89/68/72/967896872.db2.gz HSTPISKCHYASKZ-TZMCWYRMSA-N 2 1 245.326 1.062 20 0 BDADMP CCc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205959664 967909578 /nfs/dbraw/zinc/90/95/78/967909578.db2.gz RPXYFERFSRACSJ-ZIAGYGMSSA-N 2 1 234.343 1.143 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001205967109 967912233 /nfs/dbraw/zinc/91/22/33/967912233.db2.gz JJWGYQZSGOMQKU-HUUCEWRRSA-N 2 1 246.354 1.458 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1O ZINC001205967109 967912248 /nfs/dbraw/zinc/91/22/48/967912248.db2.gz JJWGYQZSGOMQKU-HUUCEWRRSA-N 2 1 246.354 1.458 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCC[C@H]1C[NH3+] ZINC001205991342 967943639 /nfs/dbraw/zinc/94/36/39/967943639.db2.gz ADSBEFSSLKJBFZ-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccs2)CCC[C@H]1C[NH3+] ZINC001205992924 967947208 /nfs/dbraw/zinc/94/72/08/967947208.db2.gz GFIAOJLOJIKNQU-MNOVXSKESA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnccc2N)CCC[C@@H]1C[NH3+] ZINC001205996598 967951415 /nfs/dbraw/zinc/95/14/15/967951415.db2.gz XONNXTJFDITQNB-VXGBXAGGSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH2+]CCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710443974 967956215 /nfs/dbraw/zinc/95/62/15/967956215.db2.gz QZWFGOBQFYSTPE-JTQLQIEISA-N 2 1 225.361 1.542 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710443974 967956230 /nfs/dbraw/zinc/95/62/30/967956230.db2.gz QZWFGOBQFYSTPE-JTQLQIEISA-N 2 1 225.361 1.542 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003696 967958963 /nfs/dbraw/zinc/95/89/63/967958963.db2.gz LJITUMPZFVQSEM-WCQYABFASA-N 2 1 248.374 1.592 20 0 BDADMP CCc1cccc(N[C@H]2COCCC23C[NH2+]C3)[nH+]1 ZINC001163079238 967987913 /nfs/dbraw/zinc/98/79/13/967987913.db2.gz MKCMISSCRBRCHQ-LBPRGKRZSA-N 2 1 247.342 1.434 20 0 BDADMP C[C@@H]1CN(Cc2[nH+]cn3ccccc23)C[C@H]1[NH3+] ZINC001206065094 968034560 /nfs/dbraw/zinc/03/45/60/968034560.db2.gz LZGYZVPGKIHHRJ-GHMZBOCLSA-N 2 1 230.315 1.113 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCc2ccccc2)CC[C@H]1F ZINC001206154139 968091765 /nfs/dbraw/zinc/09/17/65/968091765.db2.gz GVRMTOUQRNHWPG-KGLIPLIRSA-N 2 1 236.334 1.990 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCc2ccccc2)CC[C@H]1F ZINC001206154139 968091773 /nfs/dbraw/zinc/09/17/73/968091773.db2.gz GVRMTOUQRNHWPG-KGLIPLIRSA-N 2 1 236.334 1.990 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206165349 968102875 /nfs/dbraw/zinc/10/28/75/968102875.db2.gz NLGHSJBLUUIHOT-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206165349 968102880 /nfs/dbraw/zinc/10/28/80/968102880.db2.gz NLGHSJBLUUIHOT-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP c1cn2c([nH+]1)CC[C@@H](OCC[NH+]1CCCC1)C2 ZINC001206308327 968214574 /nfs/dbraw/zinc/21/45/74/968214574.db2.gz ANGWRHGZKDLRAS-GFCCVEGCSA-N 2 1 235.331 1.310 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+](CC2CCOCC2)C1 ZINC001206337930 968244578 /nfs/dbraw/zinc/24/45/78/968244578.db2.gz XABCQOMKDAXGJB-CYBMUJFWSA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+](CC2CCOCC2)C1 ZINC001206337930 968244592 /nfs/dbraw/zinc/24/45/92/968244592.db2.gz XABCQOMKDAXGJB-CYBMUJFWSA-N 2 1 244.354 1.566 20 0 BDADMP CN(c1ccc(C[N@@H+](C)C2CC2)cn1)C1C[NH2+]C1 ZINC001165127283 968262846 /nfs/dbraw/zinc/26/28/46/968262846.db2.gz QTIAVOYMDYPEDY-UHFFFAOYSA-N 2 1 246.358 1.084 20 0 BDADMP CCCC[C@H](CC)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206507054 968346881 /nfs/dbraw/zinc/34/68/81/968346881.db2.gz YPHOMGXKAWJBQP-AVGNSLFASA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)c1nc(CC[N@@H+](C)CCCC[NH3+])no1 ZINC001206541849 968365804 /nfs/dbraw/zinc/36/58/04/968365804.db2.gz LPQUIZCWIYFDIY-UHFFFAOYSA-N 2 1 240.351 1.406 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC001206542183 968367746 /nfs/dbraw/zinc/36/77/46/968367746.db2.gz UNKLUCSFJRONIV-OLZOCXBDSA-N 2 1 226.364 1.474 20 0 BDADMP CCc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)on1 ZINC001206606564 968415957 /nfs/dbraw/zinc/41/59/57/968415957.db2.gz PIESYEWJKVNSHH-NSHDSACASA-N 2 1 237.347 1.798 20 0 BDADMP CCc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)on1 ZINC001206606564 968415961 /nfs/dbraw/zinc/41/59/61/968415961.db2.gz PIESYEWJKVNSHH-NSHDSACASA-N 2 1 237.347 1.798 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001206606840 968416491 /nfs/dbraw/zinc/41/64/91/968416491.db2.gz UUANOJRZPBFCFK-GFCCVEGCSA-N 3 1 243.370 1.139 20 0 BDADMP CC1(C)OC[C@H](C[N@H+]2CCCC[C@H](C[NH3+])C2)O1 ZINC001206606101 968416916 /nfs/dbraw/zinc/41/69/16/968416916.db2.gz DIRMFSJZROGXPV-NEPJUHHUSA-N 2 1 242.363 1.199 20 0 BDADMP COc1cnccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615148 968418018 /nfs/dbraw/zinc/41/80/18/968418018.db2.gz DBWCPSUHUVJSQM-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1cnccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615148 968418023 /nfs/dbraw/zinc/41/80/23/968418023.db2.gz DBWCPSUHUVJSQM-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccnnc2)C1 ZINC001206624637 968423591 /nfs/dbraw/zinc/42/35/91/968423591.db2.gz XVOQEDBMTVVGFO-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccnnc2)C1 ZINC001206624637 968423599 /nfs/dbraw/zinc/42/35/99/968423599.db2.gz XVOQEDBMTVVGFO-NSHDSACASA-N 2 1 220.320 1.037 20 0 BDADMP CC1(C[NH3+])C[NH+](Cc2cccc3n[nH]cc32)C1 ZINC001206722971 968440297 /nfs/dbraw/zinc/44/02/97/968440297.db2.gz JRDKFOCCSLDKFR-UHFFFAOYSA-N 2 1 230.315 1.344 20 0 BDADMP CCCC[C@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001252090499 968511045 /nfs/dbraw/zinc/51/10/45/968511045.db2.gz KVIBGODMTVUVLP-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+](C)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207000386 968534547 /nfs/dbraw/zinc/53/45/47/968534547.db2.gz KRIIZLYDJLAFJZ-UHFFFAOYSA-N 2 1 235.331 1.313 20 0 BDADMP C[N@H+](Cc1ccc[nH]c1=O)CC1CC[NH+](C)CC1 ZINC001207006492 968543448 /nfs/dbraw/zinc/54/34/48/968543448.db2.gz IEOGVANQLDZGOE-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP CCCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001252113364 968598587 /nfs/dbraw/zinc/59/85/87/968598587.db2.gz YPWFWTUZZZVAHP-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275252 968705000 /nfs/dbraw/zinc/70/50/00/968705000.db2.gz LHSARRAOLYICAX-GHMZBOCLSA-N 2 1 214.353 1.029 20 0 BDADMP Cn1ncc2c1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207399173 968753149 /nfs/dbraw/zinc/75/31/49/968753149.db2.gz GDKJJLBOJQVGNA-UHFFFAOYSA-N 2 1 248.374 1.120 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC001207436542 968767723 /nfs/dbraw/zinc/76/77/23/968767723.db2.gz NKPGRTHOFDYJAK-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207443014 968773931 /nfs/dbraw/zinc/77/39/31/968773931.db2.gz KSUGBDDXKBTQIA-LBPRGKRZSA-N 2 1 210.321 1.039 20 0 BDADMP CN1CCC([N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC001207457844 968777621 /nfs/dbraw/zinc/77/76/21/968777621.db2.gz HVNMRCAVPOWLPB-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+](C[C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC001207457844 968777624 /nfs/dbraw/zinc/77/76/24/968777624.db2.gz HVNMRCAVPOWLPB-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC001207457844 968777631 /nfs/dbraw/zinc/77/76/31/968777631.db2.gz HVNMRCAVPOWLPB-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCOCC23CC3)CC1 ZINC001207487654 968803617 /nfs/dbraw/zinc/80/36/17/968803617.db2.gz PVHPOLSXLLVRLR-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc(N(C)C)[nH+]1 ZINC001154977068 968829251 /nfs/dbraw/zinc/82/92/51/968829251.db2.gz MSYOQEOMOKVPJY-GHMZBOCLSA-N 2 1 249.362 1.533 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207632583 968848536 /nfs/dbraw/zinc/84/85/36/968848536.db2.gz PDDHANRQSFLZJA-MJBXVCDLSA-N 2 1 243.354 1.953 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207632583 968848540 /nfs/dbraw/zinc/84/85/40/968848540.db2.gz PDDHANRQSFLZJA-MJBXVCDLSA-N 2 1 243.354 1.953 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001207836613 968896006 /nfs/dbraw/zinc/89/60/06/968896006.db2.gz KARBTFVSPVSBSF-PZVBLHEMSA-N 2 1 224.348 1.094 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252799776 968985421 /nfs/dbraw/zinc/98/54/21/968985421.db2.gz ZFTHNAAVHMWNDL-RNJOBUHISA-N 2 1 226.364 1.362 20 0 BDADMP Cc1cc[nH+]c(N[C@@H]2COCCC23C[NH2+]C3)c1 ZINC001155462851 968986410 /nfs/dbraw/zinc/98/64/10/968986410.db2.gz QWTWZTKWRJWQJM-LLVKDONJSA-N 2 1 233.315 1.180 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001208108108 969000841 /nfs/dbraw/zinc/00/08/41/969000841.db2.gz QRFCBEPCPJEAIU-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208108365 969001653 /nfs/dbraw/zinc/00/16/53/969001653.db2.gz UWWNYTLRIXYWTD-OLZOCXBDSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)C1CCOCC1 ZINC001208105308 969002640 /nfs/dbraw/zinc/00/26/40/969002640.db2.gz UFIQLNHIUXMAKW-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001208108119 969002956 /nfs/dbraw/zinc/00/29/56/969002956.db2.gz QVUCSPBTXUBZGU-BETUJISGSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@](O)(C[NH2+]CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001253115770 969091710 /nfs/dbraw/zinc/09/17/10/969091710.db2.gz VKXBGPCNZKEOJY-AWEZNQCLSA-N 2 1 245.326 1.450 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CC(F)(F)C1 ZINC001253384486 969148684 /nfs/dbraw/zinc/14/86/84/969148684.db2.gz VLMNEPLKWLXRRB-VIFPVBQESA-N 2 1 236.306 1.123 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](O)C2)CC1 ZINC001208593456 969151613 /nfs/dbraw/zinc/15/16/13/969151613.db2.gz SSRLERCJXJHEPL-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C)C[C@@H]1CCCN1C[C@H]1CCC[N@@H+](C)C1 ZINC001208608009 969165959 /nfs/dbraw/zinc/16/59/59/969165959.db2.gz FCVSASGANSMMAX-KBPBESRZSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001208612079 969167720 /nfs/dbraw/zinc/16/77/20/969167720.db2.gz ANIFJAFNASZDCK-IHRRRGAJSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001208612079 969167723 /nfs/dbraw/zinc/16/77/23/969167723.db2.gz ANIFJAFNASZDCK-IHRRRGAJSA-N 2 1 238.375 1.297 20 0 BDADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001208682798 969192344 /nfs/dbraw/zinc/19/23/44/969192344.db2.gz SJALCGPUJBDEKJ-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001208682798 969192349 /nfs/dbraw/zinc/19/23/49/969192349.db2.gz SJALCGPUJBDEKJ-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001208682798 969192356 /nfs/dbraw/zinc/19/23/56/969192356.db2.gz SJALCGPUJBDEKJ-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001208682798 969192362 /nfs/dbraw/zinc/19/23/62/969192362.db2.gz SJALCGPUJBDEKJ-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001253537595 969214740 /nfs/dbraw/zinc/21/47/40/969214740.db2.gz ZUDKURYGLQCOTH-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCCCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001253537595 969214750 /nfs/dbraw/zinc/21/47/50/969214750.db2.gz ZUDKURYGLQCOTH-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP CCCCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001253537595 969214756 /nfs/dbraw/zinc/21/47/56/969214756.db2.gz ZUDKURYGLQCOTH-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205992805 969219492 /nfs/dbraw/zinc/21/94/92/969219492.db2.gz GCJMMRANJXMERQ-NWDGAFQWSA-N 2 1 221.348 1.822 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnccn2)CCC[C@@H]1C[NH3+] ZINC001205993133 969223155 /nfs/dbraw/zinc/22/31/55/969223155.db2.gz GZJFMIGMNZLAAU-NWDGAFQWSA-N 2 1 234.347 1.283 20 0 BDADMP C[N@H+](C[C@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC001208874623 969261220 /nfs/dbraw/zinc/26/12/20/969261220.db2.gz XOHKDTLJJWNMFG-CYBMUJFWSA-N 2 1 224.348 1.705 20 0 BDADMP C[N@@H+](C[C@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC001208874623 969261228 /nfs/dbraw/zinc/26/12/28/969261228.db2.gz XOHKDTLJJWNMFG-CYBMUJFWSA-N 2 1 224.348 1.705 20 0 BDADMP C[N@@H+](C[C@@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC001208874624 969262153 /nfs/dbraw/zinc/26/21/53/969262153.db2.gz XOHKDTLJJWNMFG-ZDUSSCGKSA-N 2 1 224.348 1.705 20 0 BDADMP C[N@H+](C[C@@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC001208874624 969262147 /nfs/dbraw/zinc/26/21/47/969262147.db2.gz XOHKDTLJJWNMFG-ZDUSSCGKSA-N 2 1 224.348 1.705 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncccc2N)CCC[C@H]1C[NH3+] ZINC001205996341 969366177 /nfs/dbraw/zinc/36/61/77/969366177.db2.gz WHLZSCXOBOQNTO-RYUDHWBXSA-N 2 1 248.374 1.471 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)C2 ZINC001169097889 969389692 /nfs/dbraw/zinc/38/96/92/969389692.db2.gz DWJUISPRVOENSN-HALBRFILSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(C[NH3+])cn1)C2 ZINC001169097514 969393840 /nfs/dbraw/zinc/39/38/40/969393840.db2.gz ATHMTQKGTAIEER-GDNZZTSVSA-N 2 1 220.320 1.140 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C)c1 ZINC001169102171 969394756 /nfs/dbraw/zinc/39/47/56/969394756.db2.gz XVCQUAMHFIVXPF-ZRJCITRHSA-N 2 1 248.374 1.696 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC001169102171 969394764 /nfs/dbraw/zinc/39/47/64/969394764.db2.gz XVCQUAMHFIVXPF-ZRJCITRHSA-N 2 1 248.374 1.696 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc[nH]c1=O)C2 ZINC001169101291 969395605 /nfs/dbraw/zinc/39/56/05/969395605.db2.gz QQPLWWNYPWCXTL-CLLJXQQHSA-N 2 1 247.342 1.502 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc[nH]c1=O)C2 ZINC001169101291 969395611 /nfs/dbraw/zinc/39/56/11/969395611.db2.gz QQPLWWNYPWCXTL-CLLJXQQHSA-N 2 1 247.342 1.502 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOC[C@H]1F)C2 ZINC001169101507 969397733 /nfs/dbraw/zinc/39/77/33/969397733.db2.gz SYWYNAHVZIPPQV-NZEXEKPDSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOC[C@H]1F)C2 ZINC001169101507 969397736 /nfs/dbraw/zinc/39/77/36/969397736.db2.gz SYWYNAHVZIPPQV-NZEXEKPDSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCn1ccnc1)C2 ZINC001169078800 969397751 /nfs/dbraw/zinc/39/77/51/969397751.db2.gz HAKWILLOFULUIX-XYYAHUGASA-N 2 1 234.347 1.098 20 0 BDADMP C[C@H]([NH3+])c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078764 969399424 /nfs/dbraw/zinc/39/94/24/969399424.db2.gz GGHLZEQTCVLAKE-YFKTTZPYSA-N 2 1 234.347 1.701 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C)c1 ZINC001169102167 969400188 /nfs/dbraw/zinc/40/01/88/969400188.db2.gz XVCQUAMHFIVXPF-DOERSZECSA-N 2 1 248.374 1.696 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC001169102167 969400196 /nfs/dbraw/zinc/40/01/96/969400196.db2.gz XVCQUAMHFIVXPF-DOERSZECSA-N 2 1 248.374 1.696 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccncc1)C2 ZINC001169080286 969402199 /nfs/dbraw/zinc/40/21/99/969402199.db2.gz MHLIXRSHBGDEJK-BTTYYORXSA-N 2 1 231.343 1.796 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccncc1)C2 ZINC001169080286 969402206 /nfs/dbraw/zinc/40/22/06/969402206.db2.gz MHLIXRSHBGDEJK-BTTYYORXSA-N 2 1 231.343 1.796 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001253787587 969407358 /nfs/dbraw/zinc/40/73/58/969407358.db2.gz COSRKKKZPMFAHW-HZSPNIEDSA-N 2 1 242.407 1.712 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1CO)C2 ZINC001169124023 969420444 /nfs/dbraw/zinc/42/04/44/969420444.db2.gz PKYOXNMDIBBQHQ-RFQIPJPRSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1CO)C2 ZINC001169124023 969420447 /nfs/dbraw/zinc/42/04/47/969420447.db2.gz PKYOXNMDIBBQHQ-RFQIPJPRSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H]1CO)C2 ZINC001169124023 969420452 /nfs/dbraw/zinc/42/04/52/969420452.db2.gz PKYOXNMDIBBQHQ-RFQIPJPRSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H]1CO)C2 ZINC001169124023 969420456 /nfs/dbraw/zinc/42/04/56/969420456.db2.gz PKYOXNMDIBBQHQ-RFQIPJPRSA-N 2 1 238.375 1.458 20 0 BDADMP Cn1ccnc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123081 969420920 /nfs/dbraw/zinc/42/09/20/969420920.db2.gz IRYRYOOMJKJUGL-XYYAHUGASA-N 2 1 248.374 1.177 20 0 BDADMP CC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169124271 969420962 /nfs/dbraw/zinc/42/09/62/969420962.db2.gz BICGSBCORKNRAH-WDNDVIMCSA-N 2 1 237.391 1.249 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C)(O)CC1)C2 ZINC001169126081 969424841 /nfs/dbraw/zinc/42/48/41/969424841.db2.gz OURJNNUEPLKUIV-CLLJXQQHSA-N 2 1 238.375 1.458 20 0 BDADMP COC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125948 969427340 /nfs/dbraw/zinc/42/73/40/969427340.db2.gz ODPCYUPUPNBOLM-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126785 969430042 /nfs/dbraw/zinc/43/00/42/969430042.db2.gz XPKOHCMWHSJTIP-NDBYEHHHSA-N 2 1 208.349 1.953 20 0 BDADMP COC[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126420 969431002 /nfs/dbraw/zinc/43/10/02/969431002.db2.gz SVOXVWLFCBSXJE-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126420 969431004 /nfs/dbraw/zinc/43/10/04/969431004.db2.gz SVOXVWLFCBSXJE-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126420 969431008 /nfs/dbraw/zinc/43/10/08/969431008.db2.gz SVOXVWLFCBSXJE-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCOCC1)C2 ZINC001169126979 969431457 /nfs/dbraw/zinc/43/14/57/969431457.db2.gz YVAXNFYEALLHRH-CLLJXQQHSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCOCC1)C2 ZINC001169126979 969431466 /nfs/dbraw/zinc/43/14/66/969431466.db2.gz YVAXNFYEALLHRH-CLLJXQQHSA-N 2 1 224.348 1.334 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCOCC1)C2 ZINC001169126979 969431468 /nfs/dbraw/zinc/43/14/68/969431468.db2.gz YVAXNFYEALLHRH-CLLJXQQHSA-N 2 1 224.348 1.334 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1ccc(C[NH3+])nc1)C2 ZINC001169114815 969453513 /nfs/dbraw/zinc/45/35/13/969453513.db2.gz YXTDGQRBXYDJCL-ZSOGYDGISA-N 2 1 246.358 1.577 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@](C)(O)[C@H](C)C2)CC1 ZINC001169245213 969527423 /nfs/dbraw/zinc/52/74/23/969527423.db2.gz BUGOXABEIUXGBK-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@](C)(O)[C@H](C)C2)CC1 ZINC001169245213 969527432 /nfs/dbraw/zinc/52/74/32/969527432.db2.gz BUGOXABEIUXGBK-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2CO)CC1 ZINC001169244908 969531663 /nfs/dbraw/zinc/53/16/63/969531663.db2.gz YMAWNUWNCHBYII-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCC[C@H]2CO)CC1 ZINC001169244908 969531666 /nfs/dbraw/zinc/53/16/66/969531666.db2.gz YMAWNUWNCHBYII-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cncs3)C2)CC1 ZINC001209549805 969540075 /nfs/dbraw/zinc/54/00/75/969540075.db2.gz LUCCQPVDDZNRAG-UHFFFAOYSA-N 2 1 237.372 1.671 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169258779 969543425 /nfs/dbraw/zinc/54/34/25/969543425.db2.gz RQUZQWKACUBXOT-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169258779 969543438 /nfs/dbraw/zinc/54/34/38/969543438.db2.gz RQUZQWKACUBXOT-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC(N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001169268667 969555271 /nfs/dbraw/zinc/55/52/71/969555271.db2.gz NQZDQVCKUBACPJ-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c[nH+]ccc1N ZINC001209729937 969585095 /nfs/dbraw/zinc/58/50/95/969585095.db2.gz BQTNPOTTWQTCBF-FZMZJTMJSA-N 2 1 246.358 1.020 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC2CCC1CC2 ZINC001209729934 969586711 /nfs/dbraw/zinc/58/67/11/969586711.db2.gz BOJSUDZSRTZTFG-UHFFFAOYSA-N 2 1 217.316 1.869 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC2CCC1CC2 ZINC001209729934 969586718 /nfs/dbraw/zinc/58/67/18/969586718.db2.gz BOJSUDZSRTZTFG-UHFFFAOYSA-N 2 1 217.316 1.869 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001209730538 969589587 /nfs/dbraw/zinc/58/95/87/969589587.db2.gz WONPGWDVRDJHEJ-CYBMUJFWSA-N 2 1 233.315 1.107 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001209730538 969589588 /nfs/dbraw/zinc/58/95/88/969589588.db2.gz WONPGWDVRDJHEJ-CYBMUJFWSA-N 2 1 233.315 1.107 20 0 BDADMP C[N@H+](CCc1ccncc1)Cc1c[nH+]ccc1N ZINC001209733666 969593125 /nfs/dbraw/zinc/59/31/25/969593125.db2.gz HNGWCAZJDBQFSW-UHFFFAOYSA-N 2 1 242.326 1.564 20 0 BDADMP C[N@@H+](CCc1ccncc1)Cc1c[nH+]ccc1N ZINC001209733666 969593128 /nfs/dbraw/zinc/59/31/28/969593128.db2.gz HNGWCAZJDBQFSW-UHFFFAOYSA-N 2 1 242.326 1.564 20 0 BDADMP CC[N@H+]1CCN(Cc2c[nH+]ccc2N)[C@H](C)C1 ZINC001209732605 969593354 /nfs/dbraw/zinc/59/33/54/969593354.db2.gz AAFNSXOVHYPXTN-LLVKDONJSA-N 2 1 234.347 1.020 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001209732754 969593724 /nfs/dbraw/zinc/59/37/24/969593724.db2.gz DEQCYRSGNAAATI-JQWIXIFHSA-N 2 1 245.326 1.295 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001209732754 969593733 /nfs/dbraw/zinc/59/37/33/969593733.db2.gz DEQCYRSGNAAATI-JQWIXIFHSA-N 2 1 245.326 1.295 20 0 BDADMP C[C@@H]1C[N@H+](Cc2c[nH+]ccc2N)C2(CC2)C1 ZINC001209737840 969598623 /nfs/dbraw/zinc/59/86/23/969598623.db2.gz RMRTYKDKYGVOIK-JTQLQIEISA-N 2 1 217.316 1.869 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2c[nH+]ccc2N)C2(CC2)C1 ZINC001209737840 969598627 /nfs/dbraw/zinc/59/86/27/969598627.db2.gz RMRTYKDKYGVOIK-JTQLQIEISA-N 2 1 217.316 1.869 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC001254389621 969607511 /nfs/dbraw/zinc/60/75/11/969607511.db2.gz RBWJBVDMTUTWTI-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCC2(CC2)CC1 ZINC001254434647 969625332 /nfs/dbraw/zinc/62/53/32/969625332.db2.gz PUSNYGDEKZCEQJ-JTQLQIEISA-N 2 1 240.347 1.047 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2ccc(C[NH3+])nc2)CC1 ZINC001254507879 969654016 /nfs/dbraw/zinc/65/40/16/969654016.db2.gz GLBUGNHFKUJDKE-NSHDSACASA-N 2 1 234.347 1.437 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254524993 969707002 /nfs/dbraw/zinc/70/70/02/969707002.db2.gz FPMQDISIXZISPW-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254524993 969707007 /nfs/dbraw/zinc/70/70/07/969707007.db2.gz FPMQDISIXZISPW-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254524993 969707016 /nfs/dbraw/zinc/70/70/16/969707016.db2.gz FPMQDISIXZISPW-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254525835 969722561 /nfs/dbraw/zinc/72/25/61/969722561.db2.gz NFWCCIDMRWPJJI-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254525835 969722568 /nfs/dbraw/zinc/72/25/68/969722568.db2.gz NFWCCIDMRWPJJI-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254525835 969722572 /nfs/dbraw/zinc/72/25/72/969722572.db2.gz NFWCCIDMRWPJJI-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525835 969722582 /nfs/dbraw/zinc/72/25/82/969722582.db2.gz NFWCCIDMRWPJJI-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1CCC[C@@H](N2CCc3[nH+]ccn3CC2)CC1 ZINC001254530444 969726234 /nfs/dbraw/zinc/72/62/34/969726234.db2.gz YEGWPBBERKHKBY-CYBMUJFWSA-N 2 1 248.374 1.226 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCc3[nH+]ccn3CC2)CC1 ZINC001254530444 969726238 /nfs/dbraw/zinc/72/62/38/969726238.db2.gz YEGWPBBERKHKBY-CYBMUJFWSA-N 2 1 248.374 1.226 20 0 BDADMP CN1CC2(C1)CC[N@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254529221 969730886 /nfs/dbraw/zinc/73/08/86/969730886.db2.gz LHCHNDQFYXQBPI-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP CN1CC2(C1)CC[NH+]([C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254529221 969730898 /nfs/dbraw/zinc/73/08/98/969730898.db2.gz LHCHNDQFYXQBPI-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP CN1CC2(C1)CC[NH+]([C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254529221 969730909 /nfs/dbraw/zinc/73/09/09/969730909.db2.gz LHCHNDQFYXQBPI-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001254529293 969732029 /nfs/dbraw/zinc/73/20/29/969732029.db2.gz LQOOGCWIFUJGDG-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001254529293 969732046 /nfs/dbraw/zinc/73/20/46/969732046.db2.gz LQOOGCWIFUJGDG-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001254529293 969732050 /nfs/dbraw/zinc/73/20/50/969732050.db2.gz LQOOGCWIFUJGDG-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001254529293 969732058 /nfs/dbraw/zinc/73/20/58/969732058.db2.gz LQOOGCWIFUJGDG-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP COc1c[nH+]c(NCC[C@H]2CCC[NH2+]2)cc1C ZINC001169563311 969761125 /nfs/dbraw/zinc/76/11/25/969761125.db2.gz ZWQUAUGLZRAFEI-LLVKDONJSA-N 2 1 235.331 1.953 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCCN(C(C)=O)C1 ZINC001169573869 969770096 /nfs/dbraw/zinc/77/00/96/969770096.db2.gz IPEZHIFZELICOJ-ZDUSSCGKSA-N 2 1 241.379 1.058 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CC3CCN(CC3)C2)C1 ZINC001254833271 969795434 /nfs/dbraw/zinc/79/54/34/969795434.db2.gz OIMILGLZHUHYOW-MJBXVCDLSA-N 2 1 237.391 1.330 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCOCC3)C[C@@H]2C1 ZINC001255047136 969866672 /nfs/dbraw/zinc/86/66/72/969866672.db2.gz KLLYWGRCQOPMSA-BETUJISGSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255047136 969866678 /nfs/dbraw/zinc/86/66/78/969866678.db2.gz KLLYWGRCQOPMSA-BETUJISGSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255047136 969866680 /nfs/dbraw/zinc/86/66/80/969866680.db2.gz KLLYWGRCQOPMSA-BETUJISGSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476004 969899075 /nfs/dbraw/zinc/89/90/75/969899075.db2.gz QTLJQMJQCUVQPT-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001210476004 969899074 /nfs/dbraw/zinc/89/90/74/969899074.db2.gz QTLJQMJQCUVQPT-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476004 969899068 /nfs/dbraw/zinc/89/90/68/969899068.db2.gz QTLJQMJQCUVQPT-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001210476004 969899072 /nfs/dbraw/zinc/89/90/72/969899072.db2.gz QTLJQMJQCUVQPT-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccc(N)c2)CC[NH2+]1 ZINC001210496493 969907436 /nfs/dbraw/zinc/90/74/36/969907436.db2.gz HKQLQODLWCIWKK-LLVKDONJSA-N 2 1 219.332 1.453 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)CC[NH2+]1 ZINC001210496493 969907449 /nfs/dbraw/zinc/90/74/49/969907449.db2.gz HKQLQODLWCIWKK-LLVKDONJSA-N 2 1 219.332 1.453 20 0 BDADMP [NH2+]=C(NCCCC[NH3+])Nc1nccc2[nH]ccc21 ZINC001157094727 970089073 /nfs/dbraw/zinc/08/90/73/970089073.db2.gz UTLZONZPZAMOFI-UHFFFAOYSA-N 2 1 246.318 1.238 20 0 BDADMP CCCC[C@@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001255321109 970099201 /nfs/dbraw/zinc/09/92/01/970099201.db2.gz XVFZTUFXIRCFLE-CQSZACIVSA-N 2 1 241.423 1.922 20 0 BDADMP C[C@@H]([NH3+])c1nc2ccccc2n1[C@@H]1CC[N@@H+](C)C1 ZINC001255412192 970132600 /nfs/dbraw/zinc/13/26/00/970132600.db2.gz MEYLTPKPWSCUSD-GHMZBOCLSA-N 2 1 244.342 1.933 20 0 BDADMP C[NH2+]CCN([C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001255441644 970167975 /nfs/dbraw/zinc/16/79/75/970167975.db2.gz PUEDSSCNBMBEQO-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@H](C)COC)CC1 ZINC001255575564 970368989 /nfs/dbraw/zinc/36/89/89/970368989.db2.gz AEQNCUYFRRRLSR-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@H](C)COC)CC1 ZINC001255575564 970369005 /nfs/dbraw/zinc/36/90/05/970369005.db2.gz AEQNCUYFRRRLSR-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001170147743 970438688 /nfs/dbraw/zinc/43/86/88/970438688.db2.gz FFXNSMWFIRYZNB-WUHRBBMRSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001170147743 970438692 /nfs/dbraw/zinc/43/86/92/970438692.db2.gz FFXNSMWFIRYZNB-WUHRBBMRSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001170147743 970438698 /nfs/dbraw/zinc/43/86/98/970438698.db2.gz FFXNSMWFIRYZNB-WUHRBBMRSA-N 2 1 208.349 1.668 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400134196 970557105 /nfs/dbraw/zinc/55/71/05/970557105.db2.gz WNNQSYDYQQUPCO-FIYWTHMPSA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400134196 970557139 /nfs/dbraw/zinc/55/71/39/970557139.db2.gz WNNQSYDYQQUPCO-FIYWTHMPSA-N 2 1 208.349 1.846 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](C)C[NH3+])CCO1 ZINC001170182610 970559125 /nfs/dbraw/zinc/55/91/25/970559125.db2.gz NJWQBDHFWWZNMU-SDDRHHMPSA-N 2 1 214.353 1.471 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCC[N@H+]1C ZINC001255943261 970575472 /nfs/dbraw/zinc/57/54/72/970575472.db2.gz LCCAJLGMOOFVMO-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC001255943261 970575480 /nfs/dbraw/zinc/57/54/80/970575480.db2.gz LCCAJLGMOOFVMO-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC1(C)OCCO1 ZINC001255942641 970576659 /nfs/dbraw/zinc/57/66/59/970576659.db2.gz HCZLXHHDJRUDMA-LBPRGKRZSA-N 2 1 244.379 1.459 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001255949985 970580827 /nfs/dbraw/zinc/58/08/27/970580827.db2.gz DLTPTNKSCYLQCR-NWDGAFQWSA-N 3 1 215.385 1.291 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC001255955083 970587146 /nfs/dbraw/zinc/58/71/46/970587146.db2.gz NPPPWJVITOFSMN-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](O)C1 ZINC001255955083 970587151 /nfs/dbraw/zinc/58/71/51/970587151.db2.gz NPPPWJVITOFSMN-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[N@H+](CCC[NH3+])C1CCN(C2CC2)CC1 ZINC001256067653 970634698 /nfs/dbraw/zinc/63/46/98/970634698.db2.gz YKSHKZVURAKTKQ-UHFFFAOYSA-N 2 1 239.407 1.674 20 0 BDADMP CCC[N@@H+](CCC[NH3+])C1CCN(C2CC2)CC1 ZINC001256067653 970634704 /nfs/dbraw/zinc/63/47/04/970634704.db2.gz YKSHKZVURAKTKQ-UHFFFAOYSA-N 2 1 239.407 1.674 20 0 BDADMP C(CC1COC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256068830 970635429 /nfs/dbraw/zinc/63/54/29/970635429.db2.gz KOAPTHJICDTJIF-UHFFFAOYSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCOC1 ZINC001256071915 970636558 /nfs/dbraw/zinc/63/65/58/970636558.db2.gz SWLZOBINUSEHNB-CYBMUJFWSA-N 2 1 224.348 1.382 20 0 BDADMP O[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072354 970642255 /nfs/dbraw/zinc/64/22/55/970642255.db2.gz CLJDVAUOSVYCTM-CYBMUJFWSA-N 2 1 224.348 1.070 20 0 BDADMP O[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072354 970642263 /nfs/dbraw/zinc/64/22/63/970642263.db2.gz CLJDVAUOSVYCTM-CYBMUJFWSA-N 2 1 224.348 1.070 20 0 BDADMP COC[C@H]1CC[N@H+](C2CCN(C3CC3)CC2)C1 ZINC001256075431 970644027 /nfs/dbraw/zinc/64/40/27/970644027.db2.gz KJFHFRVPVYVNKZ-LBPRGKRZSA-N 2 1 238.375 1.582 20 0 BDADMP COC[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075431 970644039 /nfs/dbraw/zinc/64/40/39/970644039.db2.gz KJFHFRVPVYVNKZ-LBPRGKRZSA-N 2 1 238.375 1.582 20 0 BDADMP COC[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075431 970644044 /nfs/dbraw/zinc/64/40/44/970644044.db2.gz KJFHFRVPVYVNKZ-LBPRGKRZSA-N 2 1 238.375 1.582 20 0 BDADMP CSCC[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256082029 970647429 /nfs/dbraw/zinc/64/74/29/970647429.db2.gz QAGUDZZXBDCZHM-UHFFFAOYSA-N 2 1 228.405 1.908 20 0 BDADMP CSCC[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256082029 970647442 /nfs/dbraw/zinc/64/74/42/970647442.db2.gz QAGUDZZXBDCZHM-UHFFFAOYSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@]1(O)CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076097 970651398 /nfs/dbraw/zinc/65/13/98/970651398.db2.gz UGJZKQJRGMPXBA-ZDUSSCGKSA-N 2 1 224.348 1.070 20 0 BDADMP C[C@]1(O)CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076097 970651404 /nfs/dbraw/zinc/65/14/04/970651404.db2.gz UGJZKQJRGMPXBA-ZDUSSCGKSA-N 2 1 224.348 1.070 20 0 BDADMP C1CC1[NH+]1CCC(N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001256083362 970653640 /nfs/dbraw/zinc/65/36/40/970653640.db2.gz SWXFVJNLUHXWCF-AWEZNQCLSA-N 2 1 235.375 1.003 20 0 BDADMP Cc1c[nH+]c(NCC2C[NH+](C)C2)c2[nH]ccc21 ZINC001170252078 970659857 /nfs/dbraw/zinc/65/98/57/970659857.db2.gz IIHWGDOKFCYDLM-UHFFFAOYSA-N 2 1 230.315 1.845 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2Cc3ccc(F)cc3C2)CC1 ZINC001256201892 970695562 /nfs/dbraw/zinc/69/55/62/970695562.db2.gz SDBBCMWJUYVMCZ-OAHLLOKOSA-N 2 1 248.345 1.977 20 0 BDADMP Cc1[nH+]cc2n1CCN(C1CC[NH+](C)CC1)C2 ZINC001256203030 970705293 /nfs/dbraw/zinc/70/52/93/970705293.db2.gz BVJSHKXCARSOKL-UHFFFAOYSA-N 2 1 234.347 1.101 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664832 970713565 /nfs/dbraw/zinc/71/35/65/970713565.db2.gz WRIYDOFOUIUCMQ-WCQYABFASA-N 2 1 248.374 1.719 20 0 BDADMP CN1CCC([N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001256207938 970713341 /nfs/dbraw/zinc/71/33/41/970713341.db2.gz ZIEMMXHECLXSEX-AWEZNQCLSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001256207938 970713350 /nfs/dbraw/zinc/71/33/50/970713350.db2.gz ZIEMMXHECLXSEX-AWEZNQCLSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001256207938 970713364 /nfs/dbraw/zinc/71/33/64/970713364.db2.gz ZIEMMXHECLXSEX-AWEZNQCLSA-N 2 1 245.370 1.965 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1CN(C1CC[NH+](C)CC1)CC2 ZINC001256210534 970716273 /nfs/dbraw/zinc/71/62/73/970716273.db2.gz KJSLPGXDCCFYAH-OCCSQVGLSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000401728694 970720533 /nfs/dbraw/zinc/72/05/33/970720533.db2.gz NGXWEIYWPUQQNB-SQNXGDPESA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H](Cc1ccccn1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246540332 972559815 /nfs/dbraw/zinc/55/98/15/972559815.db2.gz GITUMLLBQLFWBR-CHWSQXEVSA-N 2 1 233.359 1.826 20 0 BDADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1F ZINC001327415692 972571858 /nfs/dbraw/zinc/57/18/58/972571858.db2.gz LTKKHPXKFKAWSB-LBPRGKRZSA-N 2 1 240.322 1.907 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553606 972750808 /nfs/dbraw/zinc/75/08/08/972750808.db2.gz BNEOQQJGGNXRRC-GARJFASQSA-N 2 1 248.317 1.470 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553607 972751454 /nfs/dbraw/zinc/75/14/54/972751454.db2.gz BNEOQQJGGNXRRC-GMTAPVOTSA-N 2 1 248.317 1.470 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC001246556027 972758474 /nfs/dbraw/zinc/75/84/74/972758474.db2.gz AGGQHESNGSTINA-AAEUAGOBSA-N 2 1 246.354 1.891 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC001246556027 972758486 /nfs/dbraw/zinc/75/84/86/972758486.db2.gz AGGQHESNGSTINA-AAEUAGOBSA-N 2 1 246.354 1.891 20 0 BDADMP COc1cc2[nH+]ccn2cc1NCC(C)(C)[NH3+] ZINC001171195665 972851016 /nfs/dbraw/zinc/85/10/16/972851016.db2.gz ZGVJVVHNVSFGNC-UHFFFAOYSA-N 2 1 234.303 1.492 20 0 BDADMP O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1F ZINC001246572862 972861812 /nfs/dbraw/zinc/86/18/12/972861812.db2.gz DPDGYIHCEKHQEF-GJHMDTBVSA-N 2 1 242.338 1.064 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C[C@H](C)O1 ZINC001246580792 972930270 /nfs/dbraw/zinc/93/02/70/972930270.db2.gz FBEWRSALWMDXAM-MLGHIDQZSA-N 2 1 244.354 1.704 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C[C@H](C)O1 ZINC001246580792 972930276 /nfs/dbraw/zinc/93/02/76/972930276.db2.gz FBEWRSALWMDXAM-MLGHIDQZSA-N 2 1 244.354 1.704 20 0 BDADMP CC(C)C1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583039 972950314 /nfs/dbraw/zinc/95/03/14/972950314.db2.gz IOTWHWOXXCXAIV-GNRIBBGQSA-N 2 1 240.391 1.453 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246604643 973029497 /nfs/dbraw/zinc/02/94/97/973029497.db2.gz HYAOMXZWLVQXPQ-ZIAGYGMSSA-N 3 1 239.407 1.593 20 0 BDADMP C[NH2+]CC[C@@H](C)N1CCC[C@@]12CCC[NH2+]CC2 ZINC001246604643 973029502 /nfs/dbraw/zinc/02/95/02/973029502.db2.gz HYAOMXZWLVQXPQ-ZIAGYGMSSA-N 2 1 239.407 1.593 20 0 BDADMP CCCC(CCC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246627483 973043446 /nfs/dbraw/zinc/04/34/46/973043446.db2.gz WJMDBYCBAAIAAV-CQSZACIVSA-N 2 1 239.407 1.593 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852780 973157615 /nfs/dbraw/zinc/15/76/15/973157615.db2.gz KPBQDLGEFMCYDL-QNSTZXKLSA-N 3 1 235.375 1.083 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852780 973157630 /nfs/dbraw/zinc/15/76/30/973157630.db2.gz KPBQDLGEFMCYDL-QNSTZXKLSA-N 3 1 235.375 1.083 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246854877 973174027 /nfs/dbraw/zinc/17/40/27/973174027.db2.gz REOXLGWWSJJIJP-XQHKEYJVSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861912 973183005 /nfs/dbraw/zinc/18/30/05/973183005.db2.gz RJOLEMPSAYYRBA-BWOQGFTMSA-N 2 1 224.348 1.081 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246863752 973188861 /nfs/dbraw/zinc/18/88/61/973188861.db2.gz LXSGXFWWTQZCIM-MJBXVCDLSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)C1 ZINC001246863752 973188880 /nfs/dbraw/zinc/18/88/80/973188880.db2.gz LXSGXFWWTQZCIM-MJBXVCDLSA-N 3 1 239.407 1.304 20 0 BDADMP N[C@@]12C[C@@H]1C[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246870077 973242807 /nfs/dbraw/zinc/24/28/07/973242807.db2.gz NLYOUZLSKSQJOA-IUODEOHRSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246870077 973242811 /nfs/dbraw/zinc/24/28/11/973242811.db2.gz NLYOUZLSKSQJOA-IUODEOHRSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246870077 973242823 /nfs/dbraw/zinc/24/28/23/973242823.db2.gz NLYOUZLSKSQJOA-IUODEOHRSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001246875105 973271288 /nfs/dbraw/zinc/27/12/88/973271288.db2.gz XMRFLOFEABQONM-WDMOLILDSA-N 2 1 232.302 1.326 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001246875105 973271302 /nfs/dbraw/zinc/27/13/02/973271302.db2.gz XMRFLOFEABQONM-WDMOLILDSA-N 2 1 232.302 1.326 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246875726 973309395 /nfs/dbraw/zinc/30/93/95/973309395.db2.gz LIWMOJBHNZBWTM-UKIXVXPJSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@H+](CCO)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246914275 973446285 /nfs/dbraw/zinc/44/62/85/973446285.db2.gz SWADAFQKELJMTL-ZIAGYGMSSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@@H+](CCO)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246914275 973446296 /nfs/dbraw/zinc/44/62/96/973446296.db2.gz SWADAFQKELJMTL-ZIAGYGMSSA-N 2 1 234.343 1.404 20 0 BDADMP CCC1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923452 973546625 /nfs/dbraw/zinc/54/66/25/973546625.db2.gz YLZGTFAQHSETRV-KPFVRQRISA-N 2 1 208.349 1.859 20 0 BDADMP CCC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923452 973546635 /nfs/dbraw/zinc/54/66/35/973546635.db2.gz YLZGTFAQHSETRV-KPFVRQRISA-N 2 1 208.349 1.859 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@H]1CCCOCC1 ZINC001246928676 973552566 /nfs/dbraw/zinc/55/25/66/973552566.db2.gz BPSZUMDSCOBZEJ-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@H+]1CC[C@H](OCC2CC[NH+](C)CC2)C1 ZINC001224449128 973652606 /nfs/dbraw/zinc/65/26/06/973652606.db2.gz DYGPDZRRFKOUAI-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP CCCC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148578127 973866699 /nfs/dbraw/zinc/86/66/99/973866699.db2.gz ODALGMPCLCMGJT-UHFFFAOYSA-N 2 1 243.395 1.224 20 0 BDADMP [NH3+][C@@H]1C[C@H]1N[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345608 973923373 /nfs/dbraw/zinc/92/33/73/973923373.db2.gz LEKKSYMKZDPXRU-ZWKOPEQDSA-N 2 1 238.281 1.511 20 0 BDADMP CC[NH+]1CC(OCCC[NH+]2CCCCC2)C1 ZINC001224855662 974027449 /nfs/dbraw/zinc/02/74/49/974027449.db2.gz RIIPLWRDRCEENV-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171773306 974156745 /nfs/dbraw/zinc/15/67/45/974156745.db2.gz JETDJBQCUXGZDK-DGCLKSJQSA-N 2 1 248.345 1.834 20 0 BDADMP N[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC001206153248 974259551 /nfs/dbraw/zinc/25/95/51/974259551.db2.gz CJMQIIZDJKJLEQ-JHJVBQTASA-N 2 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC001206153248 974259560 /nfs/dbraw/zinc/25/95/60/974259560.db2.gz CJMQIIZDJKJLEQ-JHJVBQTASA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC001206153248 974259568 /nfs/dbraw/zinc/25/95/68/974259568.db2.gz CJMQIIZDJKJLEQ-JHJVBQTASA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC(F)(F)F)CC[C@@H]1F ZINC001206153964 974317720 /nfs/dbraw/zinc/31/77/20/974317720.db2.gz FSUKCPLJVDOGAV-JGVFFNPUSA-N 2 1 228.233 1.700 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC(F)(F)F)CC[C@@H]1F ZINC001206153964 974317727 /nfs/dbraw/zinc/31/77/27/974317727.db2.gz FSUKCPLJVDOGAV-JGVFFNPUSA-N 2 1 228.233 1.700 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CCOCC1 ZINC001206155620 974329309 /nfs/dbraw/zinc/32/93/09/974329309.db2.gz MVDXMXYAKQUMOZ-NEPJUHHUSA-N 2 1 244.354 1.564 20 0 BDADMP CC1(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCOCC1 ZINC001206155620 974329317 /nfs/dbraw/zinc/32/93/17/974329317.db2.gz MVDXMXYAKQUMOZ-NEPJUHHUSA-N 2 1 244.354 1.564 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCOCC1 ZINC001206155620 974329330 /nfs/dbraw/zinc/32/93/30/974329330.db2.gz MVDXMXYAKQUMOZ-NEPJUHHUSA-N 2 1 244.354 1.564 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C)COC1)C2 ZINC001172099313 974338122 /nfs/dbraw/zinc/33/81/22/974338122.db2.gz JGKXMRBPMOCBAO-CLLJXQQHSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1CC[NH3+])C2 ZINC001172098161 974342450 /nfs/dbraw/zinc/34/24/50/974342450.db2.gz AVQKMRAUXBZYJT-IMRBUKKESA-N 2 1 248.374 1.572 20 0 BDADMP Cn1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172100410 974343345 /nfs/dbraw/zinc/34/33/45/974343345.db2.gz PYYZOARNXOSKCE-DEZZGGKRSA-N 2 1 248.374 1.525 20 0 BDADMP Cn1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100410 974343350 /nfs/dbraw/zinc/34/33/50/974343350.db2.gz PYYZOARNXOSKCE-DEZZGGKRSA-N 2 1 248.374 1.525 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOC1)C2 ZINC001172100955 974346788 /nfs/dbraw/zinc/34/67/88/974346788.db2.gz VBTQXVWHYLTFEP-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOC1)C2 ZINC001172100955 974346798 /nfs/dbraw/zinc/34/67/98/974346798.db2.gz VBTQXVWHYLTFEP-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP CN(CCF)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130438 974356846 /nfs/dbraw/zinc/35/68/46/974356846.db2.gz IIRREXULLYGREA-ZSBIGDGJSA-N 2 1 214.328 1.903 20 0 BDADMP C[N@H+](CCF)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130438 974356856 /nfs/dbraw/zinc/35/68/56/974356856.db2.gz IIRREXULLYGREA-ZSBIGDGJSA-N 2 1 214.328 1.903 20 0 BDADMP C[N@@H+](CCF)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130438 974356859 /nfs/dbraw/zinc/35/68/59/974356859.db2.gz IIRREXULLYGREA-ZSBIGDGJSA-N 2 1 214.328 1.903 20 0 BDADMP C[NH+](CCF)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130438 974356866 /nfs/dbraw/zinc/35/68/66/974356866.db2.gz IIRREXULLYGREA-ZSBIGDGJSA-N 2 1 214.328 1.903 20 0 BDADMP C[NH+](CCF)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130438 974356871 /nfs/dbraw/zinc/35/68/71/974356871.db2.gz IIRREXULLYGREA-ZSBIGDGJSA-N 2 1 214.328 1.903 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc(CC[NH3+])n1)C2 ZINC001172101829 974359547 /nfs/dbraw/zinc/35/95/47/974359547.db2.gz BUNPHBROVSPDJC-BTTYYORXSA-N 2 1 248.374 1.572 20 0 BDADMP COC1(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CCC1 ZINC001330638447 974376693 /nfs/dbraw/zinc/37/66/93/974376693.db2.gz GJSJRAKYAFAULY-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(COC3)C1)C2 ZINC001172113225 974378974 /nfs/dbraw/zinc/37/89/74/974378974.db2.gz HPUKOIMPIXAPLD-ITGUQSILSA-N 2 1 236.359 1.334 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C=C(N)C=CC1)C2 ZINC001172113712 974379041 /nfs/dbraw/zinc/37/90/41/974379041.db2.gz JGKWEPAWUVTNOB-WDNDVIMCSA-N 2 1 233.359 1.674 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C=C(N)C=CC1)C2 ZINC001172113712 974379049 /nfs/dbraw/zinc/37/90/49/974379049.db2.gz JGKWEPAWUVTNOB-WDNDVIMCSA-N 2 1 233.359 1.674 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C=C(N)C=CC1)C2 ZINC001172113712 974379057 /nfs/dbraw/zinc/37/90/57/974379057.db2.gz JGKWEPAWUVTNOB-WDNDVIMCSA-N 2 1 233.359 1.674 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C=C(N)C=CC1)C2 ZINC001172113712 974379063 /nfs/dbraw/zinc/37/90/63/974379063.db2.gz JGKWEPAWUVTNOB-WDNDVIMCSA-N 2 1 233.359 1.674 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172217260 974439396 /nfs/dbraw/zinc/43/93/96/974439396.db2.gz BBLSNQZHDPNLDP-WODVXLOZSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)O4)C[C@@H]2C1 ZINC001172230734 974470279 /nfs/dbraw/zinc/47/02/79/974470279.db2.gz HJOMWEZCOVMJAU-LSPKCERGSA-N 2 1 236.359 1.190 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)O4)C[C@@H]2C1 ZINC001172230734 974470285 /nfs/dbraw/zinc/47/02/85/974470285.db2.gz HJOMWEZCOVMJAU-LSPKCERGSA-N 2 1 236.359 1.190 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)O4)C[C@@H]2C1 ZINC001172230734 974470292 /nfs/dbraw/zinc/47/02/92/974470292.db2.gz HJOMWEZCOVMJAU-LSPKCERGSA-N 2 1 236.359 1.190 20 0 BDADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](C)C2)CC1 ZINC001172252115 974513824 /nfs/dbraw/zinc/51/38/24/974513824.db2.gz HQNDIHNWDUVGHU-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](C)C2)CC1 ZINC001172252115 974513830 /nfs/dbraw/zinc/51/38/30/974513830.db2.gz HQNDIHNWDUVGHU-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP COCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172248836 974514076 /nfs/dbraw/zinc/51/40/76/974514076.db2.gz BFRIFBRRJJMCRX-UHFFFAOYSA-N 2 1 212.337 1.193 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172321526 974530621 /nfs/dbraw/zinc/53/06/21/974530621.db2.gz LDDFCIZUYYCGDD-QWRGUYRKSA-N 2 1 216.369 1.907 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+](CC[NH3+])CCO)C[C@H]1C ZINC001172359533 974629382 /nfs/dbraw/zinc/62/93/82/974629382.db2.gz JZFHFGAEJOMTDZ-UTUOFQBUSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+](CC[NH3+])CCO)C[C@H]1C ZINC001172359533 974629388 /nfs/dbraw/zinc/62/93/88/974629388.db2.gz JZFHFGAEJOMTDZ-UTUOFQBUSA-N 2 1 214.353 1.064 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)[nH]1 ZINC001206164172 974633886 /nfs/dbraw/zinc/63/38/86/974633886.db2.gz JHTQULWHKBUDCZ-RYUDHWBXSA-N 2 1 225.311 1.584 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)[nH]1 ZINC001206164172 974633890 /nfs/dbraw/zinc/63/38/90/974633890.db2.gz JHTQULWHKBUDCZ-RYUDHWBXSA-N 2 1 225.311 1.584 20 0 BDADMP CCOCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172406953 974664545 /nfs/dbraw/zinc/66/45/45/974664545.db2.gz QSQRGRZVQCVIGV-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172433684 974718001 /nfs/dbraw/zinc/71/80/01/974718001.db2.gz RZVRCUHGLHRQIT-GFCCVEGCSA-N 2 1 237.347 1.556 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172433684 974718007 /nfs/dbraw/zinc/71/80/07/974718007.db2.gz RZVRCUHGLHRQIT-GFCCVEGCSA-N 2 1 237.347 1.556 20 0 BDADMP C[NH2+][C@H](C)CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001331835606 974831736 /nfs/dbraw/zinc/83/17/36/974831736.db2.gz RKVOUMWKYRZVJJ-WOPDTQHZSA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001172754923 974928066 /nfs/dbraw/zinc/92/80/66/974928066.db2.gz ZRGOQLZIFNAPAN-SNVBAGLBSA-N 2 1 228.336 1.188 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2CC[C@H](N)C2)CC1 ZINC001172793633 974941883 /nfs/dbraw/zinc/94/18/83/974941883.db2.gz VRLRSDLNGORVKN-SRVKXCTJSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001172793633 974941888 /nfs/dbraw/zinc/94/18/88/974941888.db2.gz VRLRSDLNGORVKN-SRVKXCTJSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001172793633 974941895 /nfs/dbraw/zinc/94/18/95/974941895.db2.gz VRLRSDLNGORVKN-SRVKXCTJSA-N 2 1 240.347 1.141 20 0 BDADMP Cc1ccc2c(c1)C[C@H]([NH2+]C1(C[NH3+])CC1)CC2 ZINC001172837733 974953586 /nfs/dbraw/zinc/95/35/86/974953586.db2.gz MLPZEULXKYKZBH-CQSZACIVSA-N 2 1 230.355 1.933 20 0 BDADMP [NH3+]CC1([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173046830 975013398 /nfs/dbraw/zinc/01/33/98/975013398.db2.gz WSQZJSUKRINMCC-UHFFFAOYSA-N 2 1 238.375 1.807 20 0 BDADMP CCCC[C@@H](CC(C)C)[N@H+](CC[NH3+])CCO ZINC001173246968 975083661 /nfs/dbraw/zinc/08/36/61/975083661.db2.gz UBBVZDNXJKLIOT-ZDUSSCGKSA-N 2 1 230.396 1.844 20 0 BDADMP CCCC[C@@H](CC(C)C)[N@@H+](CC[NH3+])CCO ZINC001173246968 975083669 /nfs/dbraw/zinc/08/36/69/975083669.db2.gz UBBVZDNXJKLIOT-ZDUSSCGKSA-N 2 1 230.396 1.844 20 0 BDADMP CC[C@H]1CC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001173262729 975118017 /nfs/dbraw/zinc/11/80/17/975118017.db2.gz GKWSLGZZYTZCOI-TUAOUCFPSA-N 2 1 237.347 1.496 20 0 BDADMP CCSC[C@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173289028 975253708 /nfs/dbraw/zinc/25/37/08/975253708.db2.gz AQTIIWFCNJYTDD-VHSXEESVSA-N 2 1 243.376 1.059 20 0 BDADMP CC[N@H+]1CC[C@H](n2ccnc2[C@H](C)[NH3+])C1 ZINC001173347976 975287039 /nfs/dbraw/zinc/28/70/39/975287039.db2.gz KTSHHOSKJYFGIZ-UWVGGRQHSA-N 2 1 208.309 1.170 20 0 BDADMP CC[N@H+]1CC[C@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001173349703 975292011 /nfs/dbraw/zinc/29/20/11/975292011.db2.gz DLBQWEHFCZEBIA-LBPRGKRZSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC001173371176 975357984 /nfs/dbraw/zinc/35/79/84/975357984.db2.gz KSRMAJISOVJJOE-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC001173371176 975357993 /nfs/dbraw/zinc/35/79/93/975357993.db2.gz KSRMAJISOVJJOE-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC001173371176 975358004 /nfs/dbraw/zinc/35/80/04/975358004.db2.gz KSRMAJISOVJJOE-XQQFMLRXSA-N 2 1 225.380 1.105 20 0 BDADMP CC[NH+](CC)[C@H]1CCN([C@@H]2CC[N@@H+](CC)C2)C1 ZINC001173372839 975358594 /nfs/dbraw/zinc/35/85/94/975358594.db2.gz RXXLQHCNPHYLLK-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2cccc(C[NH2+]C)c2)C1 ZINC001173371161 975359282 /nfs/dbraw/zinc/35/92/82/975359282.db2.gz KRPFWQLJKPLFIX-AWEZNQCLSA-N 2 1 233.359 1.912 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001206205442 975417361 /nfs/dbraw/zinc/41/73/61/975417361.db2.gz QBUWDVSMFSGZBM-NEPJUHHUSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH2+]C[C@@H](C)CNCc1ccc2c(c1)C[NH2+]CC2 ZINC001333145878 975495171 /nfs/dbraw/zinc/49/51/71/975495171.db2.gz RZNFUQNWUPMPBQ-GFCCVEGCSA-N 2 1 247.386 1.277 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@H]1CCOC1 ZINC001333487478 975812072 /nfs/dbraw/zinc/81/20/72/975812072.db2.gz HZQHGFXPQLZLHZ-BFHYXJOUSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCc2ncc(Nc3cc[nH+]cc3)cc2C1 ZINC001173882102 975933492 /nfs/dbraw/zinc/93/34/92/975933492.db2.gz RQCQYEUBWHSVIX-UHFFFAOYSA-N 2 1 240.310 1.630 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccon3)C[C@H]2C1 ZINC001333891625 976144443 /nfs/dbraw/zinc/14/44/43/976144443.db2.gz MIIIYJYMBBJDKT-YRGRVCCFSA-N 2 1 249.358 1.837 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC001334737920 976611999 /nfs/dbraw/zinc/61/19/99/976611999.db2.gz LUYIEIKAAUBWOI-SNVBAGLBSA-N 3 1 213.369 1.031 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCO[C@H](C)C1 ZINC000721409588 976627860 /nfs/dbraw/zinc/62/78/60/976627860.db2.gz IENPGKILGLVKHE-MXWKQRLJSA-N 2 1 200.326 1.081 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001335286148 976924308 /nfs/dbraw/zinc/92/43/08/976924308.db2.gz UMXVLGYNJMNBIN-BETUJISGSA-N 3 1 237.391 1.189 20 0 BDADMP CC(=O)Nc1cc(Nc2cc[nH+]c(C)c2)cc[nH+]1 ZINC001174653609 976940243 /nfs/dbraw/zinc/94/02/43/976940243.db2.gz SASYMPWTHITOAO-UHFFFAOYSA-N 2 1 242.282 1.909 20 0 BDADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001335350255 976987281 /nfs/dbraw/zinc/98/72/81/976987281.db2.gz FODUYLFWISAGFX-DZGCQCFKSA-N 2 1 248.370 1.570 20 0 BDADMP Nc1ccc(NCC[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000259964531 977106519 /nfs/dbraw/zinc/10/65/19/977106519.db2.gz HQGFLIBJFZJKQY-SECBINFHSA-N 2 1 206.293 1.218 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H](F)C1)C1CC1 ZINC001335512671 977111522 /nfs/dbraw/zinc/11/15/22/977111522.db2.gz IFHKYNUCXYBFSH-GMXVVIOVSA-N 2 1 244.354 1.312 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H](F)C1)C1CC1 ZINC001335512671 977111527 /nfs/dbraw/zinc/11/15/27/977111527.db2.gz IFHKYNUCXYBFSH-GMXVVIOVSA-N 2 1 244.354 1.312 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CCC(C)C)C1 ZINC001335935883 977373598 /nfs/dbraw/zinc/37/35/98/977373598.db2.gz YPFVPZVVYZAFSN-UONOGXRCSA-N 2 1 242.407 1.715 20 0 BDADMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CC2)C12CCC2 ZINC001336051179 977458264 /nfs/dbraw/zinc/45/82/64/977458264.db2.gz NHDZLLOVCRIHIN-RWMBFGLXSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H](CCNc1cc[nH+]c(N)n1)[NH+]1CCCCC1 ZINC001336577831 977791209 /nfs/dbraw/zinc/79/12/09/977791209.db2.gz QXBOLJCBFLOIKI-LLVKDONJSA-N 2 1 249.362 1.735 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012325 977838108 /nfs/dbraw/zinc/83/81/08/977838108.db2.gz YSTGVATUFLOZMR-SKDRFNHKSA-N 2 1 231.299 1.518 20 0 BDADMP O[C@@H]1CCCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011991 977839816 /nfs/dbraw/zinc/83/98/16/977839816.db2.gz RVBWBWHPBVGMCX-CYBMUJFWSA-N 2 1 245.326 1.910 20 0 BDADMP COCC1C[NH+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012259 977840603 /nfs/dbraw/zinc/84/06/03/977840603.db2.gz XHRYCJBUOFEAAA-UHFFFAOYSA-N 2 1 231.299 1.641 20 0 BDADMP COC(=O)CC[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017435 977843588 /nfs/dbraw/zinc/84/35/88/977843588.db2.gz RZEVRWMKAKFSEI-UHFFFAOYSA-N 2 1 247.298 1.558 20 0 BDADMP CC(=O)[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015139 977844873 /nfs/dbraw/zinc/84/48/73/977844873.db2.gz BKURNAODVHYAOP-NSHDSACASA-N 2 1 243.310 1.974 20 0 BDADMP C[NH+]1CC2(C1)CC[NH+](Cc1cnsc1)CC2 ZINC001232229567 977963177 /nfs/dbraw/zinc/96/31/77/977963177.db2.gz PCGMDGSUQXVWEI-UHFFFAOYSA-N 2 1 237.372 1.671 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCNc1cc(N)ncn1 ZINC001337034591 978137329 /nfs/dbraw/zinc/13/73/29/978137329.db2.gz ZYBVZXJHTUNBOB-NSHDSACASA-N 2 1 249.362 1.735 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2C[C@H]3CCCC[C@@H]3C2)O1 ZINC001206285279 978197256 /nfs/dbraw/zinc/19/72/56/978197256.db2.gz KRELEXGQSNYKMV-UPJWGTAASA-N 2 1 238.375 1.833 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC001206297521 978314873 /nfs/dbraw/zinc/31/48/73/978314873.db2.gz YTJRDHZEMUPKGW-KGLIPLIRSA-N 2 1 240.391 1.864 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC[NH+]1CCCC1)C2 ZINC001206302725 978353559 /nfs/dbraw/zinc/35/35/59/978353559.db2.gz RKJUHGCYKWIBGC-WDNDVIMCSA-N 2 1 238.375 1.724 20 0 BDADMP Nc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc[nH+]1 ZINC001338030387 978593197 /nfs/dbraw/zinc/59/31/97/978593197.db2.gz YOKKVIUGRULFAQ-GHMZBOCLSA-N 2 1 247.346 1.488 20 0 BDADMP Nc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC001338030387 978593205 /nfs/dbraw/zinc/59/32/05/978593205.db2.gz YOKKVIUGRULFAQ-GHMZBOCLSA-N 2 1 247.346 1.488 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000069863040 978766202 /nfs/dbraw/zinc/76/62/02/978766202.db2.gz FTXWAEUYJYVBPD-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1[nH]c(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c(C)[nH+]1 ZINC001234653732 978889840 /nfs/dbraw/zinc/88/98/40/978889840.db2.gz BWQYDLIKHTWAPL-GXTWGEPZSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1[nH]c(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(C)[nH+]1 ZINC001234653732 978889843 /nfs/dbraw/zinc/88/98/43/978889843.db2.gz BWQYDLIKHTWAPL-GXTWGEPZSA-N 2 1 248.374 1.553 20 0 BDADMP CC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277888420 978904533 /nfs/dbraw/zinc/90/45/33/978904533.db2.gz JDGIFVWGDHZOEX-NSHDSACASA-N 2 1 224.348 1.382 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001339998982 978953564 /nfs/dbraw/zinc/95/35/64/978953564.db2.gz LIJKREZLQKCEKQ-OUCADQQQSA-N 2 1 231.343 1.564 20 0 BDADMP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001235039629 978957260 /nfs/dbraw/zinc/95/72/60/978957260.db2.gz WUSXPEKTEROZFN-FRRDWIJNSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001235039629 978957269 /nfs/dbraw/zinc/95/72/69/978957269.db2.gz WUSXPEKTEROZFN-FRRDWIJNSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052542 978962733 /nfs/dbraw/zinc/96/27/33/978962733.db2.gz GXWNHYMCXGNJIR-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP CC(C)(C)CC[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235056213 978968138 /nfs/dbraw/zinc/96/81/38/978968138.db2.gz WMEQDAIXRANKCJ-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP Cc1[nH]c(CN2CCCC[C@@]23CC[NH2+]C3)c(C)[nH+]1 ZINC001235118782 978979181 /nfs/dbraw/zinc/97/91/81/978979181.db2.gz PPYFNQSQMDMOKX-AWEZNQCLSA-N 2 1 248.374 1.745 20 0 BDADMP Cc1[nH+]cc(CN2CCCC[C@]23CC[NH2+]C3)n1C ZINC001235125980 978979835 /nfs/dbraw/zinc/97/98/35/978979835.db2.gz QFXJWUTWPQKKFW-CQSZACIVSA-N 2 1 248.374 1.447 20 0 BDADMP C(C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001235209206 978995657 /nfs/dbraw/zinc/99/56/57/978995657.db2.gz JEMSROVXDSJPIQ-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001235209206 978995663 /nfs/dbraw/zinc/99/56/63/978995663.db2.gz JEMSROVXDSJPIQ-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc(C)n1 ZINC001181323527 979045328 /nfs/dbraw/zinc/04/53/28/979045328.db2.gz LRRIJYBUUFMWAZ-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc(C)n1 ZINC001181323527 979045332 /nfs/dbraw/zinc/04/53/32/979045332.db2.gz LRRIJYBUUFMWAZ-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)n1 ZINC001181323527 979045336 /nfs/dbraw/zinc/04/53/36/979045336.db2.gz LRRIJYBUUFMWAZ-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)n1 ZINC001181323527 979045340 /nfs/dbraw/zinc/04/53/40/979045340.db2.gz LRRIJYBUUFMWAZ-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP CC(C)[C@@H]1C[N@H+](CCCCC[NH3+])CCN1 ZINC001235472047 979051887 /nfs/dbraw/zinc/05/18/87/979051887.db2.gz YKWLEWZNBCMEKQ-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CCCCC[NH3+])CCN1 ZINC001235472047 979051894 /nfs/dbraw/zinc/05/18/94/979051894.db2.gz YKWLEWZNBCMEKQ-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC001235675373 979111918 /nfs/dbraw/zinc/11/19/18/979111918.db2.gz WUFRJQFFYKZZHX-TZMCWYRMSA-N 2 1 233.359 1.322 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(C)(C)CO)C2 ZINC001277962533 979124985 /nfs/dbraw/zinc/12/49/85/979124985.db2.gz AQXPKRFCTLFNGD-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(C)(C)CO)C2 ZINC001277962533 979124991 /nfs/dbraw/zinc/12/49/91/979124991.db2.gz AQXPKRFCTLFNGD-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(C)(C)CO)C2 ZINC001277962533 979125001 /nfs/dbraw/zinc/12/50/01/979125001.db2.gz AQXPKRFCTLFNGD-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP CCOC(=O)CCC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC001235693577 979125503 /nfs/dbraw/zinc/12/55/03/979125503.db2.gz DFQOAXZQDYTWLZ-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](CC(C)(C)CO)CC2 ZINC001277962904 979126030 /nfs/dbraw/zinc/12/60/30/979126030.db2.gz FRZJCDLMHXAAJT-UHFFFAOYSA-N 2 1 240.391 1.423 20 0 BDADMP CC[N@@H+](CCCC[NH3+])CCN1CCCC1 ZINC001235718750 979135439 /nfs/dbraw/zinc/13/54/39/979135439.db2.gz NBCJOQPFETZBOV-UHFFFAOYSA-N 2 1 213.369 1.143 20 0 BDADMP CCN(CCCC[NH3+])CC[NH+]1CCCC1 ZINC001235718750 979135447 /nfs/dbraw/zinc/13/54/47/979135447.db2.gz NBCJOQPFETZBOV-UHFFFAOYSA-N 2 1 213.369 1.143 20 0 BDADMP NC[C@@H]1CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235726297 979136356 /nfs/dbraw/zinc/13/63/56/979136356.db2.gz WDBQVXOSZSHVIN-ZDUSSCGKSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235726297 979136360 /nfs/dbraw/zinc/13/63/60/979136360.db2.gz WDBQVXOSZSHVIN-ZDUSSCGKSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235726297 979136362 /nfs/dbraw/zinc/13/63/62/979136362.db2.gz WDBQVXOSZSHVIN-ZDUSSCGKSA-N 3 1 237.391 1.189 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340880708 979139329 /nfs/dbraw/zinc/13/93/29/979139329.db2.gz KKKIRZUOHQKAAL-UHFFFAOYSA-N 2 1 247.342 1.570 20 0 BDADMP [NH3+]CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001235792770 979150213 /nfs/dbraw/zinc/15/02/13/979150213.db2.gz GBQHBKXELXVIOL-HUUCEWRRSA-N 2 1 245.370 1.151 20 0 BDADMP C[C@H]([NH3+])CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001235839951 979169218 /nfs/dbraw/zinc/16/92/18/979169218.db2.gz IQCWUUIWQWMYDG-QEJZJMRPSA-N 2 1 245.370 1.292 20 0 BDADMP CCOC(=O)[C@H]1CCC[N@@H+](CCCC[NH3+])[C@@H]1C ZINC001235881601 979178717 /nfs/dbraw/zinc/17/87/17/979178717.db2.gz GTQBNPUSZJJWSL-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@H]3CNC(C)(C)O3)C[C@@H]21 ZINC001235892731 979185492 /nfs/dbraw/zinc/18/54/92/979185492.db2.gz FDYUEGOSJTVFIF-GARJFASQSA-N 2 1 224.348 1.299 20 0 BDADMP CC1(C)[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]21 ZINC001235892731 979185494 /nfs/dbraw/zinc/18/54/94/979185494.db2.gz FDYUEGOSJTVFIF-GARJFASQSA-N 2 1 224.348 1.299 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]21 ZINC001235892731 979185499 /nfs/dbraw/zinc/18/54/99/979185499.db2.gz FDYUEGOSJTVFIF-GARJFASQSA-N 2 1 224.348 1.299 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1O ZINC001206456287 979209468 /nfs/dbraw/zinc/20/94/68/979209468.db2.gz MVTLNHUHZMHOOA-LSDHHAIUSA-N 2 1 248.370 1.261 20 0 BDADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206457640 979230811 /nfs/dbraw/zinc/23/08/11/979230811.db2.gz SDQXYULQSIYACY-MELADBBJSA-N 2 1 240.391 1.620 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CC1Cc3ccccc3C1)C2 ZINC001235976999 979241624 /nfs/dbraw/zinc/24/16/24/979241624.db2.gz DTBYRWSXZQNMCH-JKSUJKDBSA-N 2 1 242.366 1.825 20 0 BDADMP C[C@H]([NH3+])CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001235972936 979241871 /nfs/dbraw/zinc/24/18/71/979241871.db2.gz ISJPKKPXMWZVBZ-IHRRRGAJSA-N 2 1 239.407 1.672 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979947 979251641 /nfs/dbraw/zinc/25/16/41/979251641.db2.gz OTYZCYZXWTVJLR-KBPBESRZSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979947 979251652 /nfs/dbraw/zinc/25/16/52/979251652.db2.gz OTYZCYZXWTVJLR-KBPBESRZSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235980966 979259001 /nfs/dbraw/zinc/25/90/01/979259001.db2.gz SQOCATRWCNZMMI-TZMCWYRMSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235980966 979259009 /nfs/dbraw/zinc/25/90/09/979259009.db2.gz SQOCATRWCNZMMI-TZMCWYRMSA-N 3 1 237.391 1.141 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001236042580 979332955 /nfs/dbraw/zinc/33/29/55/979332955.db2.gz RMZBCESUKQJWNQ-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001236042580 979332966 /nfs/dbraw/zinc/33/29/66/979332966.db2.gz RMZBCESUKQJWNQ-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CNC(C)(C)O1 ZINC001236108004 979395391 /nfs/dbraw/zinc/39/53/91/979395391.db2.gz GLUVZDMSOYWXAH-RYUDHWBXSA-N 2 1 226.364 1.831 20 0 BDADMP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236108004 979395400 /nfs/dbraw/zinc/39/54/00/979395400.db2.gz GLUVZDMSOYWXAH-RYUDHWBXSA-N 2 1 226.364 1.831 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236108004 979395408 /nfs/dbraw/zinc/39/54/08/979395408.db2.gz GLUVZDMSOYWXAH-RYUDHWBXSA-N 2 1 226.364 1.831 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001236170345 979426443 /nfs/dbraw/zinc/42/64/43/979426443.db2.gz VBUWMPMJOHPSBR-CQSZACIVSA-N 2 1 216.328 1.434 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001236170345 979426456 /nfs/dbraw/zinc/42/64/56/979426456.db2.gz VBUWMPMJOHPSBR-CQSZACIVSA-N 2 1 216.328 1.434 20 0 BDADMP CC(=O)N1CC[C@H]([N@H+](CCCC[NH3+])C(C)C)C1 ZINC001236211442 979449402 /nfs/dbraw/zinc/44/94/02/979449402.db2.gz IFSILGNKJAFOOK-ZDUSSCGKSA-N 2 1 241.379 1.057 20 0 BDADMP C[N@@H+](CC1(C)CC[NH2+]CC1)[C@H]1CCCC[C@H]1N ZINC001236214681 979452835 /nfs/dbraw/zinc/45/28/35/979452835.db2.gz UQPVNCUAYMZOJU-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CN(CC1(C)CC[NH2+]CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214681 979452844 /nfs/dbraw/zinc/45/28/44/979452844.db2.gz UQPVNCUAYMZOJU-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H](CCC(=O)OC)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236242965 979462000 /nfs/dbraw/zinc/46/20/00/979462000.db2.gz PXMQRLBWWYORHK-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP [NH3+]CCCC[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001236304088 979507841 /nfs/dbraw/zinc/50/78/41/979507841.db2.gz HEBYHOPTAADCHE-OAHLLOKOSA-N 2 1 248.370 1.669 20 0 BDADMP c1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)s1 ZINC001236314914 979525738 /nfs/dbraw/zinc/52/57/38/979525738.db2.gz IXZJXFSRKFXYQL-PHIMTYICSA-N 2 1 237.372 1.575 20 0 BDADMP O=c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236314401 979526469 /nfs/dbraw/zinc/52/64/69/979526469.db2.gz CWQIGOQRJBBIMO-TXEJJXNPSA-N 2 1 247.342 1.219 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236321959 979531605 /nfs/dbraw/zinc/53/16/05/979531605.db2.gz XSWXEIDTMYQNIO-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP CC1([NH+]2CCCC2)CCN(CCCC[NH3+])CC1 ZINC001236321358 979533184 /nfs/dbraw/zinc/53/31/84/979533184.db2.gz LIQAGYFYOWDKBA-UHFFFAOYSA-N 2 1 239.407 1.676 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236414117 979576168 /nfs/dbraw/zinc/57/61/68/979576168.db2.gz JSOYFHZBKPLADY-YPMHNXCESA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCCN1CCC1CC[NH2+]CC1 ZINC001236414117 979576172 /nfs/dbraw/zinc/57/61/72/979576172.db2.gz JSOYFHZBKPLADY-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H](N)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236414117 979576178 /nfs/dbraw/zinc/57/61/78/979576178.db2.gz JSOYFHZBKPLADY-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H](N)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236414117 979576181 /nfs/dbraw/zinc/57/61/81/979576181.db2.gz JSOYFHZBKPLADY-YPMHNXCESA-N 2 1 225.380 1.188 20 0 BDADMP C[NH2+]CCC[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456725 979601355 /nfs/dbraw/zinc/60/13/55/979601355.db2.gz GCZBHJBJROSCRZ-UHFFFAOYSA-N 3 1 241.423 1.696 20 0 BDADMP C[NH2+]CCC[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456725 979601358 /nfs/dbraw/zinc/60/13/58/979601358.db2.gz GCZBHJBJROSCRZ-UHFFFAOYSA-N 3 1 241.423 1.696 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCO)Cc2ccncc2)CC1 ZINC001236562661 979634735 /nfs/dbraw/zinc/63/47/35/979634735.db2.gz VMDVAUAVPYUIJX-HDJSIYSDSA-N 2 1 249.358 1.146 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnoc2)C1 ZINC001206549468 979677353 /nfs/dbraw/zinc/67/73/53/979677353.db2.gz NRUWYKYZQGRRKU-LBPRGKRZSA-N 2 1 223.320 1.626 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnoc2)C1 ZINC001206549468 979677361 /nfs/dbraw/zinc/67/73/61/979677361.db2.gz NRUWYKYZQGRRKU-LBPRGKRZSA-N 2 1 223.320 1.626 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccncc2N)C1 ZINC001206555978 979719132 /nfs/dbraw/zinc/71/91/32/979719132.db2.gz LJDOHZOLURIWPJ-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP CCC[N@@H+](CCCCCO)C[C@H]1CC[NH2+]C1 ZINC001236826923 979743653 /nfs/dbraw/zinc/74/36/53/979743653.db2.gz DBCXLJDVNXWWRH-ZDUSSCGKSA-N 2 1 228.380 1.471 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001236861269 979765535 /nfs/dbraw/zinc/76/55/35/979765535.db2.gz YKRWCCOVUICNNV-NEPJUHHUSA-N 3 1 213.369 1.045 20 0 BDADMP CC[C@H]([NH3+])CN(C)CC[C@H]1CCC[NH2+]C1 ZINC001236861269 979765538 /nfs/dbraw/zinc/76/55/38/979765538.db2.gz YKRWCCOVUICNNV-NEPJUHHUSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@H](N)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001236861269 979765547 /nfs/dbraw/zinc/76/55/47/979765547.db2.gz YKRWCCOVUICNNV-NEPJUHHUSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@H](N)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC001236861269 979765554 /nfs/dbraw/zinc/76/55/54/979765554.db2.gz YKRWCCOVUICNNV-NEPJUHHUSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@H]([NH3+])CN(C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236860550 979765677 /nfs/dbraw/zinc/76/56/77/979765677.db2.gz RARCMZPDXMAWPY-OUAUKWLOSA-N 2 1 249.349 1.146 20 0 BDADMP C[C@H](N)C[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236884425 979776705 /nfs/dbraw/zinc/77/67/05/979776705.db2.gz QYNZYNPYLSSYOK-NSHDSACASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])CN(C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236884425 979776712 /nfs/dbraw/zinc/77/67/12/979776712.db2.gz QYNZYNPYLSSYOK-NSHDSACASA-N 2 1 225.380 1.045 20 0 BDADMP CCCCOC(=O)[C@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001237016039 979805141 /nfs/dbraw/zinc/80/51/41/979805141.db2.gz NQTYDNZTWJSUAV-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP Cn1nccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205266266 979819396 /nfs/dbraw/zinc/81/93/96/979819396.db2.gz SOWOTVCLQRGCNS-GFCCVEGCSA-N 2 1 222.336 1.123 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205266266 979819399 /nfs/dbraw/zinc/81/93/99/979819399.db2.gz SOWOTVCLQRGCNS-GFCCVEGCSA-N 2 1 222.336 1.123 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001205273194 979831197 /nfs/dbraw/zinc/83/11/97/979831197.db2.gz HJLPRFMZVCXABT-HNNXBMFYSA-N 3 1 247.386 1.849 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CC3OC=CC3=S)C[C@@H]2C1 ZINC001237185608 979838542 /nfs/dbraw/zinc/83/85/42/979838542.db2.gz ZVOTZAOFBYIWHI-AOOOYVTPSA-N 2 1 238.356 1.562 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3OC=CC3=S)C[C@@H]2C1 ZINC001237185608 979838548 /nfs/dbraw/zinc/83/85/48/979838548.db2.gz ZVOTZAOFBYIWHI-AOOOYVTPSA-N 2 1 238.356 1.562 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3OC=CC3=S)C[C@@H]2C1 ZINC001237185608 979838555 /nfs/dbraw/zinc/83/85/55/979838555.db2.gz ZVOTZAOFBYIWHI-AOOOYVTPSA-N 2 1 238.356 1.562 20 0 BDADMP CC1(C[N@H+]2CCNC3=CCCC[C@H]32)CC[NH2+]CC1 ZINC001237222145 979851342 /nfs/dbraw/zinc/85/13/42/979851342.db2.gz ZSWLPHMAUVNXBG-CQSZACIVSA-N 2 1 249.402 1.718 20 0 BDADMP C[N@H+](Cc1c[nH]ccc1=O)CC1CC[NH+](C)CC1 ZINC001237840228 980092546 /nfs/dbraw/zinc/09/25/46/980092546.db2.gz NTECZSRMEXRGEV-UHFFFAOYSA-N 2 1 249.358 1.149 20 0 BDADMP C[NH+](C)CCc1cccc(C[NH+]2CCOCC2)c1 ZINC001250157976 980111264 /nfs/dbraw/zinc/11/12/64/980111264.db2.gz GVCFREOYVDKMQF-UHFFFAOYSA-N 2 1 248.370 1.623 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102497 980152462 /nfs/dbraw/zinc/15/24/62/980152462.db2.gz DTKMHHQJFSYLMN-FZMZJTMJSA-N 2 1 245.326 1.680 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102497 980152466 /nfs/dbraw/zinc/15/24/66/980152466.db2.gz DTKMHHQJFSYLMN-FZMZJTMJSA-N 2 1 245.326 1.680 20 0 BDADMP c1[nH+]cn2c1cccc2C[N@@H+]1CCC2(COC2)C1 ZINC001238107769 980158213 /nfs/dbraw/zinc/15/82/13/980158213.db2.gz RREDZUFVNUYATM-UHFFFAOYSA-N 2 1 243.310 1.557 20 0 BDADMP c1[nH+]cn2c1cccc2C[N@H+]1CCC2(COC2)C1 ZINC001238107769 980158220 /nfs/dbraw/zinc/15/82/20/980158220.db2.gz RREDZUFVNUYATM-UHFFFAOYSA-N 2 1 243.310 1.557 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001205546824 980953078 /nfs/dbraw/zinc/95/30/78/980953078.db2.gz YWZKRZAZJVTXIJ-QWHCGFSZSA-N 2 1 244.354 1.708 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC001205603010 981170359 /nfs/dbraw/zinc/17/03/59/981170359.db2.gz MQXAESKZCAYQIW-RYUDHWBXSA-N 2 1 236.363 1.227 20 0 BDADMP C[N@@H+](CCCCNc1cc(N)ncn1)C1CC1 ZINC001348205240 981308115 /nfs/dbraw/zinc/30/81/15/981308115.db2.gz BUVMRRLAIFMADD-UHFFFAOYSA-N 2 1 235.335 1.345 20 0 BDADMP C[N@H+](CCCCNc1cc(N)[nH+]cn1)C1CC1 ZINC001348205240 981308118 /nfs/dbraw/zinc/30/81/18/981308118.db2.gz BUVMRRLAIFMADD-UHFFFAOYSA-N 2 1 235.335 1.345 20 0 BDADMP C[N@@H+](CCCCNc1cc(N)[nH+]cn1)C1CC1 ZINC001348205240 981308121 /nfs/dbraw/zinc/30/81/21/981308121.db2.gz BUVMRRLAIFMADD-UHFFFAOYSA-N 2 1 235.335 1.345 20 0 BDADMP C[N@H+](CCCCNc1cc(N)nc[nH+]1)C1CC1 ZINC001348205240 981308123 /nfs/dbraw/zinc/30/81/23/981308123.db2.gz BUVMRRLAIFMADD-UHFFFAOYSA-N 2 1 235.335 1.345 20 0 BDADMP C[N@@H+](CCCCNc1cc(N)nc[nH+]1)C1CC1 ZINC001348205240 981308126 /nfs/dbraw/zinc/30/81/26/981308126.db2.gz BUVMRRLAIFMADD-UHFFFAOYSA-N 2 1 235.335 1.345 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)o1 ZINC001205637840 981380598 /nfs/dbraw/zinc/38/05/98/981380598.db2.gz JLMKVTXZWQFZSS-JQWIXIFHSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1[nH+]ccn1-c1cc(C2=CC[NH2+]CC2)ncn1 ZINC001240465193 981395228 /nfs/dbraw/zinc/39/52/28/981395228.db2.gz QOSDLVMVEPFDHX-UHFFFAOYSA-N 2 1 241.298 1.347 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC001205638332 981395395 /nfs/dbraw/zinc/39/53/95/981395395.db2.gz MOJACHXQKLUAKC-AAEUAGOBSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2c[nH]ccc2=O)CC[C@@H]1C[NH3+] ZINC001205652255 981548702 /nfs/dbraw/zinc/54/87/02/981548702.db2.gz OSZUYEDZMWJYSN-NWDGAFQWSA-N 2 1 249.358 1.182 20 0 BDADMP O[C@]1(C[N@H+]2CC[C@@H](C3CCC3)C2)CCC[NH2+]C1 ZINC001580878607 981667312 /nfs/dbraw/zinc/66/73/12/981667312.db2.gz SKYPZAFUDLXMEA-ZIAGYGMSSA-N 2 1 238.375 1.223 20 0 BDADMP O[C@@H](C[N@H+]1C[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC001580878960 981673407 /nfs/dbraw/zinc/67/34/07/981673407.db2.gz XTJIDRSODKSCFV-MCIONIFRSA-N 2 1 238.375 1.221 20 0 BDADMP CCCCCC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662942 981769195 /nfs/dbraw/zinc/76/91/95/981769195.db2.gz GBJWDAIPWIJSKP-CYBMUJFWSA-N 2 1 228.380 1.742 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205664061 981804614 /nfs/dbraw/zinc/80/46/14/981804614.db2.gz LCMAHZCKYCEJAD-HNNXBMFYSA-N 2 1 248.370 1.671 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]CC2(C)OCCO2)CC1 ZINC000716794868 982390593 /nfs/dbraw/zinc/39/05/93/982390593.db2.gz KBPRIQQMICXEMX-UHFFFAOYSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001352775837 982571194 /nfs/dbraw/zinc/57/11/94/982571194.db2.gz ATAHNPUPIDXJFK-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001205807117 982574785 /nfs/dbraw/zinc/57/47/85/982574785.db2.gz YAVAFCARIQLJSA-JSGCOSHPSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N(CCC2CC[NH2+]CC2)C1 ZINC001205807117 982574792 /nfs/dbraw/zinc/57/47/92/982574792.db2.gz YAVAFCARIQLJSA-JSGCOSHPSA-N 2 1 239.407 1.435 20 0 BDADMP C[NH2+]C[C@H](C)CNCc1ccc(C[NH3+])cc1 ZINC001352791641 982579950 /nfs/dbraw/zinc/57/99/50/982579950.db2.gz YSRGAKQNLYAIRV-NSHDSACASA-N 2 1 221.348 1.090 20 0 BDADMP C[C@@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1N ZINC001205862976 982923500 /nfs/dbraw/zinc/92/35/00/982923500.db2.gz HFRSVLSLUOUVHC-NEPJUHHUSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1N ZINC001205862976 982923508 /nfs/dbraw/zinc/92/35/08/982923508.db2.gz HFRSVLSLUOUVHC-NEPJUHHUSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CC1(F)CC[NH2+]CC1 ZINC001205902694 983117165 /nfs/dbraw/zinc/11/71/65/983117165.db2.gz KYFRXCCTCJIIJR-NEPJUHHUSA-N 3 1 243.370 1.137 20 0 BDADMP CC[C@@H](C)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201501738 983273715 /nfs/dbraw/zinc/27/37/15/983273715.db2.gz AOTSPEFTFSOKSL-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201501738 983273726 /nfs/dbraw/zinc/27/37/26/983273726.db2.gz AOTSPEFTFSOKSL-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@@H](C)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201501738 983273733 /nfs/dbraw/zinc/27/37/33/983273733.db2.gz AOTSPEFTFSOKSL-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001201478455 983282026 /nfs/dbraw/zinc/28/20/26/983282026.db2.gz KOSUUMNBNGHQKO-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CC[C@H](C)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201516768 983313418 /nfs/dbraw/zinc/31/34/18/983313418.db2.gz AZKLPVCEAPWBGF-YNEHKIRRSA-N 2 1 210.365 1.916 20 0 BDADMP CC[N@@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001201581274 983340181 /nfs/dbraw/zinc/34/01/81/983340181.db2.gz QBKWMGVZFBCCNG-UHFFFAOYSA-N 2 1 245.330 1.006 20 0 BDADMP CCCC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001252107109 983666091 /nfs/dbraw/zinc/66/60/91/983666091.db2.gz DXTYARPXYQBCBQ-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@@H+](C1CC1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001202512623 983837496 /nfs/dbraw/zinc/83/74/96/983837496.db2.gz GBWNAVGPZRBEMZ-GFCCVEGCSA-N 2 1 238.375 1.582 20 0 BDADMP C([C@H]1CCOC1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001202540762 983920521 /nfs/dbraw/zinc/92/05/21/983920521.db2.gz LWVCGDBOBPKIJZ-GFCCVEGCSA-N 2 1 224.348 1.193 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001202598202 984106796 /nfs/dbraw/zinc/10/67/96/984106796.db2.gz GOJDVIFBKIOUSD-ZIAGYGMSSA-N 2 1 238.375 1.439 20 0 BDADMP C(C1=NOCC1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001574801603 984116480 /nfs/dbraw/zinc/11/64/80/984116480.db2.gz SOFHHWGSUOLCAH-UHFFFAOYSA-N 2 1 237.347 1.228 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CCC[C@H]1C[NH3+] ZINC001205981836 984187373 /nfs/dbraw/zinc/18/73/73/984187373.db2.gz HSENSZPMEIQUOW-MNOVXSKESA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCC[C@@H]1C[NH3+] ZINC001205984471 984217391 /nfs/dbraw/zinc/21/73/91/984217391.db2.gz SCSOIVVQJCEMIH-MCIONIFRSA-N 2 1 238.375 1.986 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])C34CCC4)[C@@H]2C1 ZINC001578521159 984217394 /nfs/dbraw/zinc/21/73/94/984217394.db2.gz MGPMOLUOWRSYEY-MEBFFEOJSA-N 2 1 249.402 1.186 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001578654387 984219588 /nfs/dbraw/zinc/21/95/88/984219588.db2.gz OJNVNLDFPCWKMB-CABCVRRESA-N 2 1 248.370 1.794 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+](C)CC12CCC(CC1)C2 ZINC001578653337 984222738 /nfs/dbraw/zinc/22/27/38/984222738.db2.gz WEPFIUSFDPSSFF-OTTFEQOBSA-N 2 1 226.364 1.079 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001579001210 984248077 /nfs/dbraw/zinc/24/80/77/984248077.db2.gz GXYWKXRTKWRUGT-QJPTWQEYSA-N 2 1 244.404 1.035 20 0 BDADMP COCC[C@@H]([NH3+])C[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001579001210 984248083 /nfs/dbraw/zinc/24/80/83/984248083.db2.gz GXYWKXRTKWRUGT-QJPTWQEYSA-N 2 1 244.404 1.035 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2O)c1C ZINC001579760119 984305346 /nfs/dbraw/zinc/30/53/46/984305346.db2.gz AALNJWCBQGMCRJ-KGLIPLIRSA-N 2 1 234.343 1.116 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)n1 ZINC001579971779 984359079 /nfs/dbraw/zinc/35/90/79/984359079.db2.gz ZCYCIBPCAXDBSO-TZMCWYRMSA-N 2 1 248.374 1.371 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)n1 ZINC001579971779 984359085 /nfs/dbraw/zinc/35/90/85/984359085.db2.gz ZCYCIBPCAXDBSO-TZMCWYRMSA-N 2 1 248.374 1.371 20 0 BDADMP CCC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275108829 984493812 /nfs/dbraw/zinc/49/38/12/984493812.db2.gz YCJPAHYCHNRTAC-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275117907 984494042 /nfs/dbraw/zinc/49/40/42/984494042.db2.gz OOHVPKKQYRMOFT-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001275137819 984501501 /nfs/dbraw/zinc/50/15/01/984501501.db2.gz GBHWWPQSDDAXAZ-OKILXGFUSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)n[nH]3)(C1)CCC2 ZINC001275209394 984521676 /nfs/dbraw/zinc/52/16/76/984521676.db2.gz VMOXIQWALNEPBJ-UONOGXRCSA-N 2 1 248.374 1.873 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cn[nH]c3)C[C@H]2CC1 ZINC001275210797 984521904 /nfs/dbraw/zinc/52/19/04/984521904.db2.gz CSCJMICNBJYFQL-BETUJISGSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]2CC1 ZINC001275210797 984521917 /nfs/dbraw/zinc/52/19/17/984521917.db2.gz CSCJMICNBJYFQL-BETUJISGSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]2CC1 ZINC001275210797 984521929 /nfs/dbraw/zinc/52/19/29/984521929.db2.gz CSCJMICNBJYFQL-BETUJISGSA-N 2 1 234.347 1.183 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC001577763402 984743785 /nfs/dbraw/zinc/74/37/85/984743785.db2.gz AKHBEDFYHCFIIT-AWEZNQCLSA-N 3 1 239.407 1.389 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CC[C@@](C)(CN)C2)CC1 ZINC001577763402 984743817 /nfs/dbraw/zinc/74/38/17/984743817.db2.gz AKHBEDFYHCFIIT-AWEZNQCLSA-N 2 1 239.407 1.389 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@](C)(CN)C2)CC1 ZINC001577763402 984743867 /nfs/dbraw/zinc/74/38/67/984743867.db2.gz AKHBEDFYHCFIIT-AWEZNQCLSA-N 2 1 239.407 1.389 20 0 BDADMP CC[NH+]1CCC(C[NH2+]C(C)(C)C[NH3+])CC1 ZINC001577764418 984744141 /nfs/dbraw/zinc/74/41/41/984744141.db2.gz ZZNSNELSMZPDPQ-UHFFFAOYSA-N 3 1 213.369 1.045 20 0 BDADMP CCOC(=O)C1(C)CC([NH2+]C[C@H]([NH3+])CC)C1 ZINC001577925373 984820778 /nfs/dbraw/zinc/82/07/78/984820778.db2.gz HKSXGQRHSVYIMP-GRZMOONWSA-N 2 1 228.336 1.045 20 0 BDADMP CCOC(=O)CCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC001577945341 984830110 /nfs/dbraw/zinc/83/01/10/984830110.db2.gz GXGZISZBUCKMMQ-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP Cn1ccnc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276228904 984831627 /nfs/dbraw/zinc/83/16/27/984831627.db2.gz BZCZYJOTZCZAJI-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP Cn1ccnc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276228904 984831633 /nfs/dbraw/zinc/83/16/33/984831633.db2.gz BZCZYJOTZCZAJI-UHFFFAOYSA-N 2 1 248.374 1.338 20 0 BDADMP Cc1nc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)co1 ZINC001276265399 984837162 /nfs/dbraw/zinc/83/71/62/984837162.db2.gz VBISSEAFOWKWAS-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP Cc1nc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)co1 ZINC001276265399 984837163 /nfs/dbraw/zinc/83/71/63/984837163.db2.gz VBISSEAFOWKWAS-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP CCOC1CC(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578087453 984844177 /nfs/dbraw/zinc/84/41/77/984844177.db2.gz LLYSKUDTWKVJQB-HHTDUIENSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1CC([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@@H](C)O1 ZINC001257100971 984854039 /nfs/dbraw/zinc/85/40/39/984854039.db2.gz YTWXBOQDPOSQSZ-LPWJVIDDSA-N 2 1 238.375 1.436 20 0 BDADMP C[C@@H]1CC([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@@H](C)O1 ZINC001257100971 984854042 /nfs/dbraw/zinc/85/40/42/984854042.db2.gz YTWXBOQDPOSQSZ-LPWJVIDDSA-N 2 1 238.375 1.436 20 0 BDADMP C[C@@H]1CC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@@H](C)O1 ZINC001257100971 984854048 /nfs/dbraw/zinc/85/40/48/984854048.db2.gz YTWXBOQDPOSQSZ-LPWJVIDDSA-N 2 1 238.375 1.436 20 0 BDADMP CCC[C@@H](CC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001257266377 984865194 /nfs/dbraw/zinc/86/51/94/984865194.db2.gz OBSISJYIKDOWHM-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP CCc1c[nH]c2nc[nH+]c(N[C@H]3C[C@H]([NH3+])C3)c12 ZINC001578245692 984898315 /nfs/dbraw/zinc/89/83/15/984898315.db2.gz FETDQPCFIPZJDK-KYZUINATSA-N 2 1 231.303 1.422 20 0 BDADMP CCc1nc(N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(C)[nH+]1 ZINC001578291841 984952031 /nfs/dbraw/zinc/95/20/31/984952031.db2.gz VNCDXRBCPMREJN-IWIIMEHWSA-N 2 1 232.331 1.001 20 0 BDADMP C[N@@H+](C[C@H]1CCC[C@H]1O)CC1(C[NH3+])CCC1 ZINC001578451307 985084598 /nfs/dbraw/zinc/08/45/98/985084598.db2.gz GPMMKSHZSQPADT-VXGBXAGGSA-N 2 1 226.364 1.208 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@]1(O)CCC[NH2+]C1 ZINC001578448139 985085488 /nfs/dbraw/zinc/08/54/88/985085488.db2.gz LHKIYMSHLXBTJH-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@@H+](CCCC1CCOCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578463685 985097529 /nfs/dbraw/zinc/09/75/29/985097529.db2.gz NHEOVTXYRBDGPZ-WDNDVIMCSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@H+](CCCC(=O)OC(C)(C)C)CC1C[NH2+]C1 ZINC001578463301 985099902 /nfs/dbraw/zinc/09/99/02/985099902.db2.gz BBMDKSGKRJCPCE-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP C[N@@H+](CCCC(=O)OC(C)(C)C)CC1C[NH2+]C1 ZINC001578463301 985099911 /nfs/dbraw/zinc/09/99/11/985099911.db2.gz BBMDKSGKRJCPCE-UHFFFAOYSA-N 2 1 242.363 1.260 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](NCC[NH2+]C(C)(C)C)[C@H]2C1 ZINC001578520763 985144432 /nfs/dbraw/zinc/14/44/32/985144432.db2.gz GHUVHRXMYAXNRS-RWMBFGLXSA-N 2 1 239.407 1.304 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578528638 985157845 /nfs/dbraw/zinc/15/78/45/985157845.db2.gz IYLVNWJXJSLCAD-AHPWVWPOSA-N 3 1 237.391 1.188 20 0 BDADMP CN1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC001578529580 985159700 /nfs/dbraw/zinc/15/97/00/985159700.db2.gz ZKJMBMNTXZKYIG-OLZOCXBDSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC001578541212 985174644 /nfs/dbraw/zinc/17/46/44/985174644.db2.gz WEZVPTVVQFOOCT-MJBXVCDLSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH2+]CC[C@@H]1CCCC[N@H+]1C[C@@H](O)C1CC1 ZINC001578677147 985288641 /nfs/dbraw/zinc/28/86/41/985288641.db2.gz XEBWEQRIOIMSFT-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP COC(=O)[C@@H](C)[N@@H+](C)CCCCCCC[NH3+] ZINC001578829287 985400768 /nfs/dbraw/zinc/40/07/68/985400768.db2.gz HGWGECCYUUBVIE-LLVKDONJSA-N 2 1 230.352 1.389 20 0 BDADMP COC(=O)[C@H](CC(C)C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001578846203 985425480 /nfs/dbraw/zinc/42/54/80/985425480.db2.gz ZEXOYRRLURNXCH-PCQVFGIUSA-N 2 1 240.347 1.044 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001578896058 985454290 /nfs/dbraw/zinc/45/42/90/985454290.db2.gz IHJUORSLTDXVGI-YFKTTZPYSA-N 2 1 212.337 1.284 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000688030320 985509322 /nfs/dbraw/zinc/50/93/22/985509322.db2.gz QXDIHBQLQROKGR-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CCCCC1 ZINC001578912276 985513087 /nfs/dbraw/zinc/51/30/87/985513087.db2.gz BENVNXGLAMYEBT-BNOWGMLFSA-N 2 1 240.391 1.779 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC001578913254 985515161 /nfs/dbraw/zinc/51/51/61/985515161.db2.gz SXWCCCSHITUMPU-BYNSBNAKSA-N 2 1 246.354 1.052 20 0 BDADMP COC1(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578926872 985527780 /nfs/dbraw/zinc/52/77/80/985527780.db2.gz PCUZEAIJQKQMGW-YPMHNXCESA-N 2 1 224.348 1.369 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578937467 985545068 /nfs/dbraw/zinc/54/50/68/985545068.db2.gz JXISMOGLYNRYKA-IRCOFANPSA-N 2 1 212.337 1.223 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@H]3C[C@H]32)c1C ZINC001579135131 985809999 /nfs/dbraw/zinc/80/99/99/985809999.db2.gz ZLLKCYPVFAQWON-WCQYABFASA-N 2 1 247.342 1.253 20 0 BDADMP CS[C@@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC001579366687 985860788 /nfs/dbraw/zinc/86/07/88/985860788.db2.gz AJDIKKQTPMJJHT-ZYUZMQFOSA-N 2 1 200.351 1.078 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H]1CO ZINC001579423262 985899276 /nfs/dbraw/zinc/89/92/76/985899276.db2.gz WTDXRROEUJHOPC-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP Cc1cncc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206606250 985899587 /nfs/dbraw/zinc/89/95/87/985899587.db2.gz IDNLPUMQWOQPRW-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP Cc1cncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206606250 985899588 /nfs/dbraw/zinc/89/95/88/985899588.db2.gz IDNLPUMQWOQPRW-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2OCCCO2)[C@H](CN)C1 ZINC001579423322 985905405 /nfs/dbraw/zinc/90/54/05/985905405.db2.gz DOAIPJYAMPHCES-NEPJUHHUSA-N 2 1 242.363 1.199 20 0 BDADMP C[C@@H]1CC[N@H+](CCC2OCCCO2)[C@H](C[NH3+])C1 ZINC001579423322 985905426 /nfs/dbraw/zinc/90/54/26/985905426.db2.gz DOAIPJYAMPHCES-NEPJUHHUSA-N 2 1 242.363 1.199 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2OCCCO2)[C@H](C[NH3+])C1 ZINC001579423322 985905446 /nfs/dbraw/zinc/90/54/46/985905446.db2.gz DOAIPJYAMPHCES-NEPJUHHUSA-N 2 1 242.363 1.199 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CC2)C[C@H]1C[NH3+] ZINC001579441783 985936290 /nfs/dbraw/zinc/93/62/90/985936290.db2.gz SXFQUBZPMILTFD-ZYHUDNBSSA-N 2 1 248.374 1.324 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC001579454735 985946163 /nfs/dbraw/zinc/94/61/63/985946163.db2.gz YPIBYDKTLPEJMB-MBNYWOFBSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001579456013 985950231 /nfs/dbraw/zinc/95/02/31/985950231.db2.gz ZVNVXOKHAUWPOI-ZOBORPQBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001579456013 985950258 /nfs/dbraw/zinc/95/02/58/985950258.db2.gz ZVNVXOKHAUWPOI-ZOBORPQBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001579456013 985950275 /nfs/dbraw/zinc/95/02/75/985950275.db2.gz ZVNVXOKHAUWPOI-ZOBORPQBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccnc1N(C)C ZINC001579460844 985957694 /nfs/dbraw/zinc/95/76/94/985957694.db2.gz OOLMWRYQFYZEJU-YPMHNXCESA-N 2 1 248.374 1.093 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC001206607263 985959333 /nfs/dbraw/zinc/95/93/33/985959333.db2.gz YRUCPCFPFTYVLN-STQMWFEESA-N 2 1 224.348 1.740 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC001579470867 985971111 /nfs/dbraw/zinc/97/11/11/985971111.db2.gz KVAVJNHNBUCSTA-FDYHWXHSSA-N 2 1 224.348 1.367 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCn1cccn1 ZINC001461096909 986006962 /nfs/dbraw/zinc/00/69/62/986006962.db2.gz PVSGEIQOLYKTMS-UHFFFAOYSA-N 2 1 245.330 1.134 20 0 BDADMP Cc1n[nH]c(C[N@@H+](C)CCCCCC[NH3+])c1C ZINC001579514911 986067330 /nfs/dbraw/zinc/06/73/30/986067330.db2.gz ZBWPJORPIRNFQZ-UHFFFAOYSA-N 2 1 238.379 1.977 20 0 BDADMP Cc1cc([C@H]2CCCC[N@@H+]2CCC[NH3+])[nH]n1 ZINC001579590647 986101860 /nfs/dbraw/zinc/10/18/60/986101860.db2.gz QMFYFQRETFGZAD-GFCCVEGCSA-N 2 1 222.336 1.594 20 0 BDADMP Cc1cc([C@H]2CCCC[N@H+]2CCC[NH3+])[nH]n1 ZINC001579590647 986101888 /nfs/dbraw/zinc/10/18/88/986101888.db2.gz QMFYFQRETFGZAD-GFCCVEGCSA-N 2 1 222.336 1.594 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC3(COC3)C2)CC1 ZINC001258772203 986150726 /nfs/dbraw/zinc/15/07/26/986150726.db2.gz KGHYIDQQUBOCLG-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](O)CC2)CC1 ZINC001258771729 986154359 /nfs/dbraw/zinc/15/43/59/986154359.db2.gz RCIHLGYYSPCALI-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C)[C@@H]2CO)CC1 ZINC001462092779 986281317 /nfs/dbraw/zinc/28/13/17/986281317.db2.gz KJWPARMDGQMRNM-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1[nH+]cc(CN[C@@H]2CCCC[C@H]2[NH3+])n1C ZINC001579878636 986294974 /nfs/dbraw/zinc/29/49/74/986294974.db2.gz VDVRLCGHGHTLBW-VXGBXAGGSA-N 2 1 222.336 1.088 20 0 BDADMP Cc1[nH+]ccn1CCN[C@]12CCC[C@H]1[NH2+]CC2 ZINC001579882637 986300950 /nfs/dbraw/zinc/30/09/50/986300950.db2.gz BQYBUFWBVGFEIF-OLZOCXBDSA-N 2 1 234.347 1.066 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccnc2N)C1 ZINC001462325810 986351423 /nfs/dbraw/zinc/35/14/23/986351423.db2.gz FZTZPQRFBGABCI-GFCCVEGCSA-N 2 1 248.374 1.485 20 0 BDADMP Cn1c[nH+]cc1C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC001579985230 986391551 /nfs/dbraw/zinc/39/15/51/986391551.db2.gz SKCJCOLPXRNRHY-CYBMUJFWSA-N 2 1 248.374 1.352 20 0 BDADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001579993529 986392958 /nfs/dbraw/zinc/39/29/58/986392958.db2.gz YSSIOPJIXHVBOV-LJGSYFOKSA-N 2 1 248.252 1.018 20 0 BDADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001579998817 986397727 /nfs/dbraw/zinc/39/77/27/986397727.db2.gz WWICWGYAIJDDJC-LJGSYFOKSA-N 2 1 248.252 1.018 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@@H]2C1 ZINC001462664470 986498926 /nfs/dbraw/zinc/49/89/26/986498926.db2.gz GZEKPKDCDZDXNE-LOWDOPEQSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000689403840 986558678 /nfs/dbraw/zinc/55/86/78/986558678.db2.gz DIWYIDVKSDVNGB-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@H](CCO)C1CC1)CC(F)(F)F ZINC001580133439 986601680 /nfs/dbraw/zinc/60/16/80/986601680.db2.gz YRNMHCFBCKNUEU-RKDXNWHRSA-N 2 1 240.269 1.017 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516246 986656224 /nfs/dbraw/zinc/65/62/24/986656224.db2.gz LEMPVIYLUSCASQ-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@@](C)(O)C2)CC1 ZINC001254517338 986657886 /nfs/dbraw/zinc/65/78/86/986657886.db2.gz URAQEEIRTRYXCQ-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001254517338 986657901 /nfs/dbraw/zinc/65/79/01/986657901.db2.gz URAQEEIRTRYXCQ-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001254517338 986657909 /nfs/dbraw/zinc/65/79/09/986657909.db2.gz URAQEEIRTRYXCQ-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP [NH3+]CC1(C[N@@H+](CCO)CCc2ccccc2)CC1 ZINC001580244439 986693482 /nfs/dbraw/zinc/69/34/82/986693482.db2.gz XBUGVFCEFHYQSI-UHFFFAOYSA-N 2 1 248.370 1.262 20 0 BDADMP [NH3+]CCOCC[N@@H+](Cc1cccnc1)C1CC1 ZINC001580312365 986742864 /nfs/dbraw/zinc/74/28/64/986742864.db2.gz IYJHCDRFXGIJMD-UHFFFAOYSA-N 2 1 235.331 1.021 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC001580422812 986838605 /nfs/dbraw/zinc/83/86/05/986838605.db2.gz DWTQSWYVNFKJQY-DTORHVGOSA-N 2 1 216.288 1.142 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC001580423406 986842150 /nfs/dbraw/zinc/84/21/50/986842150.db2.gz YZXGFKKZPMBTEM-PHIMTYICSA-N 2 1 234.299 1.037 20 0 BDADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCSC3)C2)CC1 ZINC001255289675 986889123 /nfs/dbraw/zinc/88/91/23/986889123.db2.gz AFSRDKNYAHQUSE-GFCCVEGCSA-N 2 1 240.416 1.910 20 0 BDADMP CCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001245998771 987281957 /nfs/dbraw/zinc/28/19/57/987281957.db2.gz ZEZCZEKTGBJGJE-UTUOFQBUSA-N 2 1 214.353 1.125 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001246006825 987283290 /nfs/dbraw/zinc/28/32/90/987283290.db2.gz VTMDDZFPUQAQAC-CABZTGNLSA-N 2 1 244.285 1.325 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246017658 987303451 /nfs/dbraw/zinc/30/34/51/987303451.db2.gz SJFSSEROEHNETE-STQMWFEESA-N 2 1 228.380 1.741 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246018598 987303892 /nfs/dbraw/zinc/30/38/92/987303892.db2.gz FUCWJVOKJGKKJT-IJLUTSLNSA-N 2 1 214.353 1.349 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246018598 987303898 /nfs/dbraw/zinc/30/38/98/987303898.db2.gz FUCWJVOKJGKKJT-IJLUTSLNSA-N 2 1 214.353 1.349 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246017622 987304311 /nfs/dbraw/zinc/30/43/11/987304311.db2.gz SGHKORLYPIJMRO-RWMBFGLXSA-N 2 1 228.380 1.739 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246017622 987304318 /nfs/dbraw/zinc/30/43/18/987304318.db2.gz SGHKORLYPIJMRO-RWMBFGLXSA-N 2 1 228.380 1.739 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246020205 987306591 /nfs/dbraw/zinc/30/65/91/987306591.db2.gz IJJYACPZOZEWAZ-STQMWFEESA-N 2 1 228.380 1.598 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCC[C@H]1C[NH3+] ZINC001246027430 987324649 /nfs/dbraw/zinc/32/46/49/987324649.db2.gz HNTMTITULVOXRS-MNOVXSKESA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)[C@@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246027127 987326916 /nfs/dbraw/zinc/32/69/16/987326916.db2.gz WZGVOGUAUIJROI-UTUOFQBUSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246027127 987326925 /nfs/dbraw/zinc/32/69/25/987326925.db2.gz WZGVOGUAUIJROI-UTUOFQBUSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000697670585 987363045 /nfs/dbraw/zinc/36/30/45/987363045.db2.gz NELKGPJXAIBVHE-GFCCVEGCSA-N 2 1 238.379 1.046 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2(C)CCOCC2)C[NH2+]1 ZINC001246080093 987372397 /nfs/dbraw/zinc/37/23/97/987372397.db2.gz DRHNUXINOKGUHE-WDEREUQCSA-N 2 1 212.337 1.286 20 0 BDADMP CC(C)([NH2+]C1CC[NH2+]CC1)c1cccnc1 ZINC001246081526 987376381 /nfs/dbraw/zinc/37/63/81/987376381.db2.gz NECZFMSYXLSTSI-UHFFFAOYSA-N 2 1 219.332 1.658 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246083317 987379436 /nfs/dbraw/zinc/37/94/36/987379436.db2.gz GZCXZGAYQOGEGZ-QNWHQSFQSA-N 2 1 226.364 1.674 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC001246089880 987394434 /nfs/dbraw/zinc/39/44/34/987394434.db2.gz HKENUXHCVJGIHN-WOPDTQHZSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090863 987398351 /nfs/dbraw/zinc/39/83/51/987398351.db2.gz MCGJLQQRPOBWFH-TZMCWYRMSA-N 2 1 233.359 1.744 20 0 BDADMP F[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246091958 987399954 /nfs/dbraw/zinc/39/99/54/987399954.db2.gz MGPHLKMIALMLGR-GMTAPVOTSA-N 2 1 200.301 1.466 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246093293 987401382 /nfs/dbraw/zinc/40/13/82/987401382.db2.gz RMWOGJWYSUKKGM-IRCOFANPSA-N 2 1 214.328 1.855 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246096847 987408879 /nfs/dbraw/zinc/40/88/79/987408879.db2.gz NAYSBABUHDRKKL-XQHKEYJVSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096930 987409097 /nfs/dbraw/zinc/40/90/97/987409097.db2.gz NQTLJYBKYBTLJR-ZBBUEOHVSA-N 3 1 237.391 1.247 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246096240 987409263 /nfs/dbraw/zinc/40/92/63/987409263.db2.gz DQRGUPDNTJZSMX-OLZOCXBDSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246096292 987409574 /nfs/dbraw/zinc/40/95/74/987409574.db2.gz UAWRAZARPZEOHE-FDYHWXHSSA-N 3 1 225.380 1.105 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246098978 987415514 /nfs/dbraw/zinc/41/55/14/987415514.db2.gz QSHYTQBWPDFXLD-STQMWFEESA-N 3 1 239.407 1.448 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CC[C@H](C)C[NH2+]1 ZINC001246101673 987424374 /nfs/dbraw/zinc/42/43/74/987424374.db2.gz AJHKRSBSFTYBTN-SDDRHHMPSA-N 2 1 242.363 1.306 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001246102763 987429606 /nfs/dbraw/zinc/42/96/06/987429606.db2.gz WXEXGZILWZRRST-IGQOVBAYSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246102651 987430707 /nfs/dbraw/zinc/43/07/07/987430707.db2.gz WRYXERSMBMIMBC-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@H](CN[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246102651 987430709 /nfs/dbraw/zinc/43/07/09/987430709.db2.gz WRYXERSMBMIMBC-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C1CCC([NH2+]C[C@@H]2CC[C@H](C)CN2)CC1 ZINC001246107419 987437072 /nfs/dbraw/zinc/43/70/72/987437072.db2.gz GTJZIVFDLIOTOP-ABXWRUBCSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC3(C[NH2+]C3)C2)NC1 ZINC001246107334 987437353 /nfs/dbraw/zinc/43/73/53/987437353.db2.gz FWLDQVQUIJPMEV-UPJWGTAASA-N 2 1 237.391 1.106 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246109882 987442031 /nfs/dbraw/zinc/44/20/31/987442031.db2.gz KUGJMOSOCFZQHD-VLEAKVRGSA-N 2 1 200.301 1.607 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246111412 987446413 /nfs/dbraw/zinc/44/64/13/987446413.db2.gz OAWZHWAXKCYILH-REWJHTLYSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246113852 987449458 /nfs/dbraw/zinc/44/94/58/987449458.db2.gz ULSVEWNHRQOSJC-LPWJVIDDSA-N 3 1 239.407 1.493 20 0 BDADMP CC[C@H]1CC([NH2+]CCC[NH2+]C)C[C@H](CC)[NH2+]1 ZINC001246112735 987451396 /nfs/dbraw/zinc/45/13/96/987451396.db2.gz MQPCDQQAMWDHOQ-RYUDHWBXSA-N 3 1 227.396 1.495 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1CN[C@H]1CCC[N@@H+](C)CC1 ZINC001246117236 987460009 /nfs/dbraw/zinc/46/00/09/987460009.db2.gz YIMOREFDAULWJE-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001246117236 987460011 /nfs/dbraw/zinc/46/00/11/987460011.db2.gz YIMOREFDAULWJE-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001246117236 987460014 /nfs/dbraw/zinc/46/00/14/987460014.db2.gz YIMOREFDAULWJE-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC[NH2+]C1)C2 ZINC001246131473 987482434 /nfs/dbraw/zinc/48/24/34/987482434.db2.gz YRFSQOOUWGNXCT-FQUUOJAGSA-N 2 1 237.391 1.343 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132307 987484213 /nfs/dbraw/zinc/48/42/13/987484213.db2.gz LNXHCWUGPAFYAN-VXGBXAGGSA-N 2 1 226.364 1.532 20 0 BDADMP CCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135369 987491616 /nfs/dbraw/zinc/49/16/16/987491616.db2.gz RWUIETAOXCZXSC-REWJHTLYSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CCO1 ZINC001246135259 987494861 /nfs/dbraw/zinc/49/48/61/987494861.db2.gz TVTBIPWXNKKJQF-QJPTWQEYSA-N 2 1 224.348 1.286 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246167688 987525494 /nfs/dbraw/zinc/52/54/94/987525494.db2.gz AAGQOAZFHXYROR-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246162771 987526526 /nfs/dbraw/zinc/52/65/26/987526526.db2.gz SDJOZPSNNAYUQE-UONOGXRCSA-N 2 1 241.423 1.839 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(N)=O)CC[NH2+]1 ZINC001246181571 987553099 /nfs/dbraw/zinc/55/30/99/987553099.db2.gz ZTTSXDWJBHSYEU-JQWIXIFHSA-N 2 1 247.342 1.016 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186786 987564303 /nfs/dbraw/zinc/56/43/03/987564303.db2.gz HWLQSAOPNDSRES-GRYCIOLGSA-N 2 1 240.347 1.060 20 0 BDADMP C(NC1CCC2(CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]1 ZINC001246187474 987567058 /nfs/dbraw/zinc/56/70/58/987567058.db2.gz OBKZHPSWECTIFM-ROKHWSDSSA-N 2 1 237.391 1.250 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246189065 987571364 /nfs/dbraw/zinc/57/13/64/987571364.db2.gz ZGSYVMRCWBNXGH-NEPJUHHUSA-N 2 1 242.363 1.450 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CC[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246201436 987599864 /nfs/dbraw/zinc/59/98/64/987599864.db2.gz HDLNXFHUPQUUAD-IGQOVBAYSA-N 3 1 239.407 1.624 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246203460 987600372 /nfs/dbraw/zinc/60/03/72/987600372.db2.gz AVMBQERDJZMAAZ-XDQVBPFNSA-N 3 1 239.407 1.482 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CC3CCN(CC3)C2)C1 ZINC001246205504 987601969 /nfs/dbraw/zinc/60/19/69/987601969.db2.gz OIMILGLZHUHYOW-MGPQQGTHSA-N 2 1 237.391 1.330 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206014 987603831 /nfs/dbraw/zinc/60/38/31/987603831.db2.gz WHSSQZNXHROGPA-AAVRWANBSA-N 3 1 239.407 1.623 20 0 BDADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCCNC2)CC1 ZINC001246206439 987604313 /nfs/dbraw/zinc/60/43/13/987604313.db2.gz OZVKVFZPTMEXSV-MGPQQGTHSA-N 2 1 239.407 1.483 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246213101 987610062 /nfs/dbraw/zinc/61/00/62/987610062.db2.gz YNEXSQLLVGUJCN-FDYHWXHSSA-N 3 1 225.380 1.234 20 0 BDADMP CCOC(CC[NH2+][C@H]1CC[C@H](C)NC1)OCC ZINC001246234134 987631299 /nfs/dbraw/zinc/63/12/99/987631299.db2.gz TXJWOZIEUOMBEO-RYUDHWBXSA-N 2 1 244.379 1.506 20 0 BDADMP Cc1occc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246255589 987652085 /nfs/dbraw/zinc/65/20/85/987652085.db2.gz LXXHCXCSVIKRNE-SKDRFNHKSA-N 2 1 208.305 1.818 20 0 BDADMP C[NH+](C)CCC(C)(C)[NH2+]C1CC[NH2+]CC1 ZINC001246262594 987658049 /nfs/dbraw/zinc/65/80/49/987658049.db2.gz INOVWQXYYIYUPQ-UHFFFAOYSA-N 3 1 213.369 1.058 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[NH2+]1 ZINC001246268812 987663366 /nfs/dbraw/zinc/66/33/66/987663366.db2.gz ZVBGIFIOZXMCIC-VXGBXAGGSA-N 3 1 227.396 1.447 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)C[NH2+]1 ZINC001246266841 987663426 /nfs/dbraw/zinc/66/34/26/987663426.db2.gz SGDTXLUBSPGNGT-CHWSQXEVSA-N 3 1 237.391 1.202 20 0 BDADMP CCCC1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246297224 987688438 /nfs/dbraw/zinc/68/84/38/987688438.db2.gz FBNLBQAYXNAPJS-HHTDUIENSA-N 2 1 240.391 1.515 20 0 BDADMP CCC1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246296905 987688633 /nfs/dbraw/zinc/68/86/33/987688633.db2.gz CULAGMAPPQGBRA-PYNQCMFNSA-N 2 1 226.364 1.125 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246301674 987697547 /nfs/dbraw/zinc/69/75/47/987697547.db2.gz UVSQUMQTHALNTE-FVCCEPFGSA-N 3 1 227.396 1.623 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC001116770228 987701008 /nfs/dbraw/zinc/70/10/08/987701008.db2.gz ALZVTXWLJXFYEK-VXGBXAGGSA-N 2 1 240.347 1.012 20 0 BDADMP CCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246310623 987712028 /nfs/dbraw/zinc/71/20/28/987712028.db2.gz UNPLUEDEJRBTJE-AGIUHOORSA-N 2 1 228.380 1.515 20 0 BDADMP CC[C@H](N)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001246312130 987716500 /nfs/dbraw/zinc/71/65/00/987716500.db2.gz GCLHASVIBJDRNQ-OLZOCXBDSA-N 2 1 229.412 1.824 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246331791 987739409 /nfs/dbraw/zinc/73/94/09/987739409.db2.gz JNTFFYCTQQXZDO-ODXJTPSBSA-N 3 1 237.391 1.390 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)C1 ZINC001474499098 987740048 /nfs/dbraw/zinc/74/00/48/987740048.db2.gz KADGTLSJHGEVLN-MQYQWHSLSA-N 2 1 238.375 1.341 20 0 BDADMP CC(C)[C@H](N)C[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246334626 987742337 /nfs/dbraw/zinc/74/23/37/987742337.db2.gz VQCXZEAGDWMZSA-MJBXVCDLSA-N 2 1 239.407 1.482 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CCC(CCO)CC2)C[NH2+]1 ZINC001246336474 987745809 /nfs/dbraw/zinc/74/58/09/987745809.db2.gz OPUHTYOVYQCNGV-ABXWRUBCSA-N 2 1 240.391 1.658 20 0 BDADMP FC1(F)CC[NH+](CCN[C@@H]2CCC[NH2+]C2)CC1 ZINC001246339307 987749539 /nfs/dbraw/zinc/74/95/39/987749539.db2.gz DTUISEOBOWBVHR-LLVKDONJSA-N 2 1 247.333 1.059 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCN2CCC(F)CC2)CC[NH2+]1 ZINC001246338676 987750397 /nfs/dbraw/zinc/75/03/97/987750397.db2.gz ADKBBGGCLPABHL-DGCLKSJQSA-N 2 1 243.370 1.150 20 0 BDADMP [NH3+][C@@]12CC[C@@]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)(C1)CCC2 ZINC001246342044 987752495 /nfs/dbraw/zinc/75/24/95/987752495.db2.gz QSIYZYUZBUMDTG-VYDRJRHOSA-N 3 1 249.402 1.663 20 0 BDADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001246348287 987755653 /nfs/dbraw/zinc/75/56/53/987755653.db2.gz LNSAOBINZBYIOL-FOSCPWQOSA-N 2 1 235.306 1.593 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1C[C@@H]2COC[C@H]12)C1CC1 ZINC001474566792 987761088 /nfs/dbraw/zinc/76/10/88/987761088.db2.gz QTBRWIQLKVOCKO-KWCYVHTRSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246360215 987767159 /nfs/dbraw/zinc/76/71/59/987767159.db2.gz GKKFPHZWAWNZGQ-RDBSUJKOSA-N 2 1 239.407 1.447 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246362151 987769644 /nfs/dbraw/zinc/76/96/44/987769644.db2.gz NLZFYKMUXHLQQK-MCIONIFRSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C[NH2+]1 ZINC001246366484 987771665 /nfs/dbraw/zinc/77/16/65/987771665.db2.gz JMBXTSXPNYXUMW-YIYPIFLZSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246372335 987775296 /nfs/dbraw/zinc/77/52/96/987775296.db2.gz LEALCWMYOKZECJ-UTUOFQBUSA-N 3 1 225.380 1.105 20 0 BDADMP CC(C)n1cncc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246390377 987780134 /nfs/dbraw/zinc/78/01/34/987780134.db2.gz XSJGOWDPPCDMFZ-NEPJUHHUSA-N 2 1 236.363 1.694 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C)C1 ZINC001246402306 987783059 /nfs/dbraw/zinc/78/30/59/987783059.db2.gz VTHDQPNPPTUVDY-DCAQKATOSA-N 2 1 228.336 1.045 20 0 BDADMP CCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246402688 987785293 /nfs/dbraw/zinc/78/52/93/987785293.db2.gz XXCNIBPXVMAHSU-MNOVXSKESA-N 2 1 230.352 1.435 20 0 BDADMP CC[C@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)C1 ZINC001246416796 987792050 /nfs/dbraw/zinc/79/20/50/987792050.db2.gz LYAVPAXODBMWBX-TUAOUCFPSA-N 2 1 242.363 1.435 20 0 BDADMP Cc1cccc([C@@H](CO)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246444533 987801515 /nfs/dbraw/zinc/80/15/15/987801515.db2.gz CIVRXPMZCBVINS-BPLDGKMQSA-N 2 1 248.370 1.759 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246447748 987804876 /nfs/dbraw/zinc/80/48/76/987804876.db2.gz WJOIWDRSXWFLSE-ONGXEEELSA-N 2 1 206.289 1.162 20 0 BDADMP C[C@H]1CCC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246454299 987808769 /nfs/dbraw/zinc/80/87/69/987808769.db2.gz RKEVRXKCCNEVTH-STQMWFEESA-N 3 1 227.396 1.483 20 0 BDADMP CC(C)(CC1CCOCC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246456299 987814372 /nfs/dbraw/zinc/81/43/72/987814372.db2.gz KXESSNXBZLEOAL-ZDUSSCGKSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)C[NH2+]1 ZINC001246460854 987820338 /nfs/dbraw/zinc/82/03/38/987820338.db2.gz KFOHMPZZMRTUFA-YVECIDJPSA-N 2 1 226.364 1.410 20 0 BDADMP CC(C)C1CCC([NH2+]C[C@H]2C[NH2+]CCN2)CC1 ZINC001246493383 987846760 /nfs/dbraw/zinc/84/67/60/987846760.db2.gz YZHHSMYIJNDPMT-JXQTWKCFSA-N 2 1 239.407 1.352 20 0 BDADMP C[NH2+]CC[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246493318 987847867 /nfs/dbraw/zinc/84/78/67/987847867.db2.gz YAVIZLIYSZQXKC-QWRGUYRKSA-N 3 1 249.349 1.209 20 0 BDADMP Cc1ccc([C@@H](CO)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246500095 987856176 /nfs/dbraw/zinc/85/61/76/987856176.db2.gz OKTMOBFGDMNSOX-VHDGCEQUSA-N 2 1 248.370 1.759 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)CC[NH2+]1 ZINC001246506306 987858310 /nfs/dbraw/zinc/85/83/10/987858310.db2.gz PJXKPRNZMSULPQ-DGCLKSJQSA-N 2 1 244.342 1.564 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246521896 987873022 /nfs/dbraw/zinc/87/30/22/987873022.db2.gz GTAADMCWZARFEB-CYBMUJFWSA-N 3 1 239.407 1.450 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246526126 987879251 /nfs/dbraw/zinc/87/92/51/987879251.db2.gz MEXMFPNYMREQLD-QJPTWQEYSA-N 2 1 240.347 1.012 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246531354 987886976 /nfs/dbraw/zinc/88/69/76/987886976.db2.gz PWMOYYZMTSBCRJ-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246531354 987886978 /nfs/dbraw/zinc/88/69/78/987886978.db2.gz PWMOYYZMTSBCRJ-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CO1 ZINC001246539721 987900562 /nfs/dbraw/zinc/90/05/62/987900562.db2.gz IGGGQYQFZCQIIV-WDEREUQCSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]1C[N@@H+]([C@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246540862 987904600 /nfs/dbraw/zinc/90/46/00/987904600.db2.gz KGXFQCIREJAMQW-TUAOUCFPSA-N 3 1 225.380 1.044 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246540862 987904607 /nfs/dbraw/zinc/90/46/07/987904607.db2.gz KGXFQCIREJAMQW-TUAOUCFPSA-N 3 1 225.380 1.044 20 0 BDADMP C[C@@H]1CC([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246539729 987906490 /nfs/dbraw/zinc/90/64/90/987906490.db2.gz IMZQNCBNYHIVID-IJLUTSLNSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1CC([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC001246539729 987906501 /nfs/dbraw/zinc/90/65/01/987906501.db2.gz IMZQNCBNYHIVID-IJLUTSLNSA-N 3 1 225.380 1.329 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246542721 987909465 /nfs/dbraw/zinc/90/94/65/987909465.db2.gz KWQLWZYPGCYQRU-IJLUTSLNSA-N 2 1 242.363 1.530 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246541083 987910974 /nfs/dbraw/zinc/91/09/74/987910974.db2.gz LMYQWBAKRUCXRZ-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246541405 987913925 /nfs/dbraw/zinc/91/39/25/987913925.db2.gz HKSJGYJQWPFSAO-GMTAPVOTSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544189 987917223 /nfs/dbraw/zinc/91/72/23/987917223.db2.gz WKBLXGRTWHHFRQ-YNEHKIRRSA-N 2 1 228.380 1.717 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544970 987917394 /nfs/dbraw/zinc/91/73/94/987917394.db2.gz IOQGGHWYFDEPNE-NDBYEHHHSA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544970 987917410 /nfs/dbraw/zinc/91/74/10/987917410.db2.gz IOQGGHWYFDEPNE-NDBYEHHHSA-N 3 1 223.364 1.083 20 0 BDADMP C[C@@H](CC1CC1)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543905 987920514 /nfs/dbraw/zinc/92/05/14/987920514.db2.gz OVCXTVZXQUBORI-WCQYABFASA-N 2 1 226.364 1.351 20 0 BDADMP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1=O ZINC001246545658 987920836 /nfs/dbraw/zinc/92/08/36/987920836.db2.gz WLZBTJQXGZCLRF-ACJTYDJDSA-N 2 1 236.359 1.570 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1=O ZINC001246545658 987920847 /nfs/dbraw/zinc/92/08/47/987920847.db2.gz WLZBTJQXGZCLRF-ACJTYDJDSA-N 2 1 236.359 1.570 20 0 BDADMP C1CC2(CO1)CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246546486 987926122 /nfs/dbraw/zinc/92/61/22/987926122.db2.gz KJYXELWHIFTHFG-GFCCVEGCSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001246551185 987941223 /nfs/dbraw/zinc/94/12/23/987941223.db2.gz PPPVFLIZFUURMA-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCOC[C@H](C)C2)CC[NH2+]1 ZINC001246551433 987945589 /nfs/dbraw/zinc/94/55/89/987945589.db2.gz MUZGLSWZSPBXGG-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCOC3)CC2)CC[NH2+]1 ZINC001246551440 987947555 /nfs/dbraw/zinc/94/75/55/987947555.db2.gz ZKBPGWMPRBDXFQ-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246554339 987957400 /nfs/dbraw/zinc/95/74/00/987957400.db2.gz ZSUGJWIEHREVLM-UPJWGTAASA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC001246554339 987957409 /nfs/dbraw/zinc/95/74/09/987957409.db2.gz ZSUGJWIEHREVLM-UPJWGTAASA-N 3 1 239.407 1.447 20 0 BDADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1O ZINC001246557616 987972469 /nfs/dbraw/zinc/97/24/69/987972469.db2.gz NDTDZJKNAJRIFM-MWWBDVBNSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCSC2)CC[C@@H]1C[NH3+] ZINC001246557242 987972869 /nfs/dbraw/zinc/97/28/69/987972869.db2.gz KDGVICAYJWFDRK-IJLUTSLNSA-N 2 1 228.405 1.799 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246558483 987974107 /nfs/dbraw/zinc/97/41/07/987974107.db2.gz LDDCKFBLTGCTOI-MGPQQGTHSA-N 2 1 240.391 1.741 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557497 987978256 /nfs/dbraw/zinc/97/82/56/987978256.db2.gz LWWWNLNSTRUFKB-LMLFDSFASA-N 2 1 230.302 1.701 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC001246561746 987995336 /nfs/dbraw/zinc/99/53/36/987995336.db2.gz LAXDLWAUHFLTLI-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP CC1(C)CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562265 988000987 /nfs/dbraw/zinc/00/09/87/988000987.db2.gz XPHFYOIQFLHIOU-VXGBXAGGSA-N 2 1 226.364 1.349 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001246562551 988001503 /nfs/dbraw/zinc/00/15/03/988001503.db2.gz UHDQNWFSLZCOSF-RDBSUJKOSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@H]2CCCNC2)CC[C@@H]1C[NH3+] ZINC001246563481 988005655 /nfs/dbraw/zinc/00/56/55/988005655.db2.gz XDLFYILOEWKHAN-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCCNC2)CC[C@@H]1C[NH3+] ZINC001246563481 988005671 /nfs/dbraw/zinc/00/56/71/988005671.db2.gz XDLFYILOEWKHAN-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001246563533 988007150 /nfs/dbraw/zinc/00/71/50/988007150.db2.gz VHLATRKRJMQHPQ-FRRDWIJNSA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563917 988010943 /nfs/dbraw/zinc/01/09/43/988010943.db2.gz YHIVVAFXSXOVBQ-AAVRWANBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CN1 ZINC001246564678 988012241 /nfs/dbraw/zinc/01/22/41/988012241.db2.gz FXGNEGGAGLFIOE-DGAVXFQQSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CN1 ZINC001246564678 988012255 /nfs/dbraw/zinc/01/22/55/988012255.db2.gz FXGNEGGAGLFIOE-DGAVXFQQSA-N 2 1 239.407 1.434 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246564117 988013671 /nfs/dbraw/zinc/01/36/71/988013671.db2.gz YWOJZCOCPKYQSS-GRYCIOLGSA-N 2 1 214.353 1.328 20 0 BDADMP CCSC[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566083 988033513 /nfs/dbraw/zinc/03/35/13/988033513.db2.gz FERPYGPGNQNOFI-KXUCPTDWSA-N 2 1 202.367 1.407 20 0 BDADMP CCSC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566083 988033528 /nfs/dbraw/zinc/03/35/28/988033528.db2.gz FERPYGPGNQNOFI-KXUCPTDWSA-N 2 1 202.367 1.407 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246572160 988064643 /nfs/dbraw/zinc/06/46/43/988064643.db2.gz UTBJQURPLUADSG-AVGNSLFASA-N 2 1 246.370 1.951 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246572160 988064662 /nfs/dbraw/zinc/06/46/62/988064662.db2.gz UTBJQURPLUADSG-AVGNSLFASA-N 2 1 246.370 1.951 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246573784 988073528 /nfs/dbraw/zinc/07/35/28/988073528.db2.gz ZDMFORNRHUWJSW-RFGFWPKPSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@H]1C[C@@H](CF)[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246574192 988074034 /nfs/dbraw/zinc/07/40/34/988074034.db2.gz FFNFRGPMKCOMES-UVYIHGJDSA-N 2 1 226.339 1.949 20 0 BDADMP C[C@@H]1C[N@H+](C2CCOCC2)CCC[C@H]1C[NH3+] ZINC001246573044 988075216 /nfs/dbraw/zinc/07/52/16/988075216.db2.gz YSIPBAQRBGQHTL-NEPJUHHUSA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1F ZINC001246574306 988076563 /nfs/dbraw/zinc/07/65/63/988076563.db2.gz XVKZVVFJKUBAEQ-LLUNPGSJSA-N 2 1 242.338 1.458 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1F ZINC001246574306 988076580 /nfs/dbraw/zinc/07/65/80/988076580.db2.gz XVKZVVFJKUBAEQ-LLUNPGSJSA-N 2 1 242.338 1.458 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246581980 988116286 /nfs/dbraw/zinc/11/62/86/988116286.db2.gz LWGKEJROOBTJRU-FUDCBSFHSA-N 2 1 238.375 1.757 20 0 BDADMP CCCC1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583566 988121962 /nfs/dbraw/zinc/12/19/62/988121962.db2.gz JMEMYPRJIHJTHR-GNRIBBGQSA-N 2 1 240.391 1.597 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246582825 988124079 /nfs/dbraw/zinc/12/40/79/988124079.db2.gz TZEOVWBWUSEMBJ-XQQFMLRXSA-N 2 1 244.354 1.707 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246582825 988124099 /nfs/dbraw/zinc/12/40/99/988124099.db2.gz TZEOVWBWUSEMBJ-XQQFMLRXSA-N 2 1 244.354 1.707 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246583493 988125170 /nfs/dbraw/zinc/12/51/70/988125170.db2.gz GYSZTULAABRBSH-NDBYEHHHSA-N 2 1 244.354 1.705 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246583493 988125182 /nfs/dbraw/zinc/12/51/82/988125182.db2.gz GYSZTULAABRBSH-NDBYEHHHSA-N 2 1 244.354 1.705 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCO1 ZINC001246583490 988127962 /nfs/dbraw/zinc/12/79/62/988127962.db2.gz GYSZTULAABRBSH-FDYHWXHSSA-N 2 1 244.354 1.705 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCO1 ZINC001246583490 988127970 /nfs/dbraw/zinc/12/79/70/988127970.db2.gz GYSZTULAABRBSH-FDYHWXHSSA-N 2 1 244.354 1.705 20 0 BDADMP N[C@@H]1CC[N@H+]([C@@H]2CCCOCC2)CC[C@@H]1F ZINC001246586074 988139854 /nfs/dbraw/zinc/13/98/54/988139854.db2.gz LDUSSYYFUSQLTM-GRYCIOLGSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCOCC2)CC[C@@H]1F ZINC001246586074 988139860 /nfs/dbraw/zinc/13/98/60/988139860.db2.gz LDUSSYYFUSQLTM-GRYCIOLGSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCOCC2)CC[C@@H]1F ZINC001246586074 988139865 /nfs/dbraw/zinc/13/98/65/988139865.db2.gz LDUSSYYFUSQLTM-GRYCIOLGSA-N 2 1 230.327 1.317 20 0 BDADMP CC(C)CCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586207 988144765 /nfs/dbraw/zinc/14/47/65/988144765.db2.gz ROHJQCLRVVRJRT-AGIUHOORSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)OCC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587149 988147937 /nfs/dbraw/zinc/14/79/37/988147937.db2.gz FQBCDTLNXYNVRA-LLVKDONJSA-N 2 1 214.353 1.471 20 0 BDADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587513 988149209 /nfs/dbraw/zinc/14/92/09/988149209.db2.gz GWUUDKKXUVPAFB-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H](CC1CC1)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589134 988153624 /nfs/dbraw/zinc/15/36/24/988153624.db2.gz RUGHDDZWYBFBSR-USWWRNFRSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589134 988153650 /nfs/dbraw/zinc/15/36/50/988153650.db2.gz RUGHDDZWYBFBSR-USWWRNFRSA-N 2 1 214.328 1.936 20 0 BDADMP CC1(C)C[N@@H+](C2CC[NH2+]CC2)[C@@](C)(CO)C1 ZINC001246588879 988157730 /nfs/dbraw/zinc/15/77/30/988157730.db2.gz LPEYIARCTWNOSR-CYBMUJFWSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590046 988164676 /nfs/dbraw/zinc/16/46/76/988164676.db2.gz HWZNFPZPHMWWJA-LSGALXMHSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246590046 988164682 /nfs/dbraw/zinc/16/46/82/988164682.db2.gz HWZNFPZPHMWWJA-LSGALXMHSA-N 3 1 237.391 1.329 20 0 BDADMP CC1(C[NH3+])C[NH+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246589597 988165632 /nfs/dbraw/zinc/16/56/32/988165632.db2.gz POYFNWBOXQIWKH-GFCCVEGCSA-N 2 1 248.345 1.964 20 0 BDADMP CC1(C)C[N@@H+]([C@H]2CCC[NH2+]C2)[C@](C)(CO)C1 ZINC001246591670 988176662 /nfs/dbraw/zinc/17/66/62/988176662.db2.gz WWDLVOAPPWQKKN-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246595251 988190741 /nfs/dbraw/zinc/19/07/41/988190741.db2.gz SJROPDBXVPVFRE-IYXRBSQSSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599753 988207568 /nfs/dbraw/zinc/20/75/68/988207568.db2.gz DJKJEIXAFZIGJR-GFCCVEGCSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@H](CC)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616852 988251606 /nfs/dbraw/zinc/25/16/06/988251606.db2.gz FSJCPSNNOHTYEJ-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1CCC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246621944 988271150 /nfs/dbraw/zinc/27/11/50/988271150.db2.gz FGUHBUUUOMCWEC-MGPQQGTHSA-N 2 1 237.391 1.202 20 0 BDADMP CCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246625354 988276135 /nfs/dbraw/zinc/27/61/35/988276135.db2.gz QHGGHDGPPATMKM-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C1C[C@@]2(C[NH2+]1)C[NH2+]CCN2C1CCCCCC1 ZINC001246623048 988284966 /nfs/dbraw/zinc/28/49/66/988284966.db2.gz IXEDFSLGORLQQR-CQSZACIVSA-N 2 1 237.391 1.347 20 0 BDADMP CCCC[C@@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246627242 988295937 /nfs/dbraw/zinc/29/59/37/988295937.db2.gz UNZKKKPVFBQGPX-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP CC1(C)CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246628098 988299238 /nfs/dbraw/zinc/29/92/38/988299238.db2.gz XDLOBRIKMUHWIK-OCCSQVGLSA-N 2 1 237.391 1.202 20 0 BDADMP CC[NH+]1CCC(N2CCC(F)(C[NH3+])CC2)CC1 ZINC001246629876 988305702 /nfs/dbraw/zinc/30/57/02/988305702.db2.gz QIKXNCRHUSZEEZ-UHFFFAOYSA-N 2 1 243.370 1.234 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCC3(C2)CC[NH2+]CC3)[NH2+]1 ZINC001246637217 988329142 /nfs/dbraw/zinc/32/91/42/988329142.db2.gz PNAYXLPNNQXTLN-BFHYXJOUSA-N 3 1 249.402 1.345 20 0 BDADMP C1NCC12CCC[N@@H+]2[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246641624 988349508 /nfs/dbraw/zinc/34/95/08/988349508.db2.gz JLUVYAVCKOSNGL-CYBMUJFWSA-N 2 1 249.402 1.347 20 0 BDADMP C1NCC12CCC[N@H+]2[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246641624 988349516 /nfs/dbraw/zinc/34/95/16/988349516.db2.gz JLUVYAVCKOSNGL-CYBMUJFWSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246641665 988351133 /nfs/dbraw/zinc/35/11/33/988351133.db2.gz WXRZBILFMHUNHE-NZEXEKPDSA-N 2 1 224.348 1.379 20 0 BDADMP C1C[C@]2(CO1)CCC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246648908 988369556 /nfs/dbraw/zinc/36/95/56/988369556.db2.gz UDJWZQYSAUOHLG-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC001246651931 988377614 /nfs/dbraw/zinc/37/76/14/988377614.db2.gz DPDBPVPPRJCZJY-NRUFJFEESA-N 2 1 222.332 1.133 20 0 BDADMP C1C[C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC001246657440 988382387 /nfs/dbraw/zinc/38/23/87/988382387.db2.gz QMAHJCPQQJIMTA-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246661513 988400955 /nfs/dbraw/zinc/40/09/55/988400955.db2.gz YBSKBUWEFQOCLM-ALUZDYTJSA-N 3 1 237.391 1.185 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246664629 988403020 /nfs/dbraw/zinc/40/30/20/988403020.db2.gz NMTYBXNQBFHMDP-SYCZCVCYSA-N 3 1 235.375 1.083 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246664629 988403046 /nfs/dbraw/zinc/40/30/46/988403046.db2.gz NMTYBXNQBFHMDP-SYCZCVCYSA-N 3 1 235.375 1.083 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246665752 988405188 /nfs/dbraw/zinc/40/51/88/988405188.db2.gz PZNKBFGRACXZMY-VNHYZAJKSA-N 3 1 249.402 1.474 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246665752 988405194 /nfs/dbraw/zinc/40/51/94/988405194.db2.gz PZNKBFGRACXZMY-VNHYZAJKSA-N 3 1 249.402 1.474 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246666584 988410552 /nfs/dbraw/zinc/41/05/52/988410552.db2.gz WKSXRQVCOQNUCE-CMPLNLGQSA-N 2 1 234.347 1.148 20 0 BDADMP CC[C@@H]1CNCC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246804493 988485635 /nfs/dbraw/zinc/48/56/35/988485635.db2.gz PYESTYKMJSSLOE-GFCCVEGCSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@@H]1C[NH2+]CCN1C1CCC2(C[NH2+]C2)CC1 ZINC001246804493 988485638 /nfs/dbraw/zinc/48/56/38/988485638.db2.gz PYESTYKMJSSLOE-GFCCVEGCSA-N 2 1 237.391 1.202 20 0 BDADMP CCOC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246814994 988494312 /nfs/dbraw/zinc/49/43/12/988494312.db2.gz BIRZVLPKYKSCNS-IJLUTSLNSA-N 2 1 240.347 1.012 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246815271 988497355 /nfs/dbraw/zinc/49/73/55/988497355.db2.gz XADCKPSJFLOWMR-GHMZBOCLSA-N 2 1 228.336 1.012 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC[NH2+]1 ZINC001246823221 988511761 /nfs/dbraw/zinc/51/17/61/988511761.db2.gz DIOASPBTKBPRAR-NNYUYHANSA-N 2 1 222.332 1.038 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCO3)CC2)CC[NH2+]1 ZINC001246832889 988530237 /nfs/dbraw/zinc/53/02/37/988530237.db2.gz CTXCHEOXWAGKLE-NEPJUHHUSA-N 2 1 224.348 1.382 20 0 BDADMP CCC(CC)[N@@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246848099 988567049 /nfs/dbraw/zinc/56/70/49/988567049.db2.gz WCLUSPDRQKDMSD-GFCCVEGCSA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@@H+](CCn1cccn1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246851627 988570830 /nfs/dbraw/zinc/57/08/30/988570830.db2.gz ZANUUYPUBOAORX-CHWSQXEVSA-N 2 1 236.363 1.346 20 0 BDADMP CCOCC[C@H](C)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246856407 988577810 /nfs/dbraw/zinc/57/78/10/988577810.db2.gz XBWXJZLRRKMBFU-QJPTWQEYSA-N 2 1 212.337 1.225 20 0 BDADMP CCSC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246857002 988579692 /nfs/dbraw/zinc/57/96/92/988579692.db2.gz YLSYNCGNKMCWKI-GARJFASQSA-N 2 1 214.378 1.551 20 0 BDADMP CCSC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246857002 988579702 /nfs/dbraw/zinc/57/97/02/988579702.db2.gz YLSYNCGNKMCWKI-GARJFASQSA-N 2 1 214.378 1.551 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C[NH2+]1 ZINC001246859624 988591429 /nfs/dbraw/zinc/59/14/29/988591429.db2.gz MCQSAYOBCKQKOL-DGORSVRFSA-N 2 1 212.312 1.559 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](C1C[C@H]3CC(=O)C[C@@H]3C1)C2 ZINC001246864931 988608712 /nfs/dbraw/zinc/60/87/12/988608712.db2.gz WVWWNKDGXQJQJU-DYNIEEOBSA-N 2 1 234.343 1.167 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1C[C@H]3CC(=O)C[C@@H]3C1)C2 ZINC001246864931 988608721 /nfs/dbraw/zinc/60/87/21/988608721.db2.gz WVWWNKDGXQJQJU-DYNIEEOBSA-N 2 1 234.343 1.167 20 0 BDADMP CC1(C)C[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001246865176 988614088 /nfs/dbraw/zinc/61/40/88/988614088.db2.gz YIEQNGPUFPSKIR-DMDPSCGWSA-N 2 1 224.348 1.367 20 0 BDADMP CCOC1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246870831 988637641 /nfs/dbraw/zinc/63/76/41/988637641.db2.gz PGNXJRQCVBECGJ-IKWCTNDRSA-N 2 1 224.348 1.367 20 0 BDADMP CCOC1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246870831 988637657 /nfs/dbraw/zinc/63/76/57/988637657.db2.gz PGNXJRQCVBECGJ-IKWCTNDRSA-N 2 1 224.348 1.367 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246875348 988643710 /nfs/dbraw/zinc/64/37/10/988643710.db2.gz KLUZLRDMMBAJES-JABUTEAWSA-N 2 1 238.375 1.769 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246895200 988663465 /nfs/dbraw/zinc/66/34/65/988663465.db2.gz QAFXAZNXMWGDIT-MQAAVTGUSA-N 3 1 249.402 1.153 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246895200 988663471 /nfs/dbraw/zinc/66/34/71/988663471.db2.gz QAFXAZNXMWGDIT-MQAAVTGUSA-N 3 1 249.402 1.153 20 0 BDADMP CN(C)C[C@@]12C[C@@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246895200 988663477 /nfs/dbraw/zinc/66/34/77/988663477.db2.gz QAFXAZNXMWGDIT-MQAAVTGUSA-N 2 1 249.402 1.153 20 0 BDADMP CN(C)C[C@@]12C[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246895200 988663481 /nfs/dbraw/zinc/66/34/81/988663481.db2.gz QAFXAZNXMWGDIT-MQAAVTGUSA-N 2 1 249.402 1.153 20 0 BDADMP CCCC[C@H]1C[C@H]([N@@H+](C)CCO)CC[NH2+]1 ZINC001246913196 988671508 /nfs/dbraw/zinc/67/15/08/988671508.db2.gz PSHPSJGMURAOLD-NWDGAFQWSA-N 2 1 214.353 1.221 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246896223 988671596 /nfs/dbraw/zinc/67/15/96/988671596.db2.gz VWTYNNFRRCFKBC-JLLWLGSASA-N 2 1 210.321 1.038 20 0 BDADMP C[C@@H]1CC[C@@H](N2CC[C@@H]([N@@H+](C)C3CC3)C2)C[NH2+]1 ZINC001246905865 988681455 /nfs/dbraw/zinc/68/14/55/988681455.db2.gz AKWUPPDFJQJKKN-MRVWCRGKSA-N 2 1 237.391 1.295 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906809 988683096 /nfs/dbraw/zinc/68/30/96/988683096.db2.gz ARGJMTDWMYAPEF-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906809 988683101 /nfs/dbraw/zinc/68/31/01/988683101.db2.gz ARGJMTDWMYAPEF-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246915811 988707770 /nfs/dbraw/zinc/70/77/70/988707770.db2.gz FXLSFLHOEGCAPR-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246915811 988707780 /nfs/dbraw/zinc/70/77/80/988707780.db2.gz FXLSFLHOEGCAPR-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP C1[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246915396 988708054 /nfs/dbraw/zinc/70/80/54/988708054.db2.gz FZQZFFFWLXFWSH-VHDGCEQUSA-N 2 1 249.402 1.297 20 0 BDADMP CC[N@@H+](CCn1ccnc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246917487 988716304 /nfs/dbraw/zinc/71/63/04/988716304.db2.gz DFHBZHXNUOZRIU-CHWSQXEVSA-N 2 1 236.363 1.346 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)[C@H]2CC[C@H](C)NC2)CC1 ZINC001246918569 988721204 /nfs/dbraw/zinc/72/12/04/988721204.db2.gz LBNMSCZYNGKPOA-ABXWRUBCSA-N 2 1 239.407 1.589 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CC[C@H](C)NC2)CC1 ZINC001246918569 988721235 /nfs/dbraw/zinc/72/12/35/988721235.db2.gz LBNMSCZYNGKPOA-ABXWRUBCSA-N 2 1 239.407 1.589 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2N)CC1 ZINC001246918774 988721732 /nfs/dbraw/zinc/72/17/32/988721732.db2.gz MBPFZQHBLCULHN-HOAMVYINSA-N 2 1 239.407 1.719 20 0 BDADMP Cc1ncccc1C[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246919982 988726270 /nfs/dbraw/zinc/72/62/70/988726270.db2.gz XPIAJJBRXVYGIC-SMDDNHRTSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246919982 988726287 /nfs/dbraw/zinc/72/62/87/988726287.db2.gz XPIAJJBRXVYGIC-SMDDNHRTSA-N 2 1 233.359 1.962 20 0 BDADMP CC1(C)CC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC(C)(C)O1 ZINC001246923882 988740460 /nfs/dbraw/zinc/74/04/60/988740460.db2.gz ZZUONDVSORYTDD-ZYHUDNBSSA-N 2 1 238.375 1.626 20 0 BDADMP CC1(C)CC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC(C)(C)O1 ZINC001246923882 988740496 /nfs/dbraw/zinc/74/04/96/988740496.db2.gz ZZUONDVSORYTDD-ZYHUDNBSSA-N 2 1 238.375 1.626 20 0 BDADMP CC[C@H](N)C[N@@H+](C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246974898 988804455 /nfs/dbraw/zinc/80/44/55/988804455.db2.gz SOIMOMXZDUTLMU-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246974898 988804466 /nfs/dbraw/zinc/80/44/66/988804466.db2.gz SOIMOMXZDUTLMU-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246981906 988808138 /nfs/dbraw/zinc/80/81/38/988808138.db2.gz UHLHBOCVRARAJZ-WUHRBBMRSA-N 2 1 225.380 1.281 20 0 BDADMP CC(C)[N@H+]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980769 988809991 /nfs/dbraw/zinc/80/99/91/988809991.db2.gz SMYFBYCJTRUOMJ-HZSPNIEDSA-N 2 1 239.407 1.541 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990113 988819298 /nfs/dbraw/zinc/81/92/98/988819298.db2.gz OBVCXNSAWRFQTH-YNEHKIRRSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990113 988819301 /nfs/dbraw/zinc/81/93/01/988819301.db2.gz OBVCXNSAWRFQTH-YNEHKIRRSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990104 988819896 /nfs/dbraw/zinc/81/98/96/988819896.db2.gz OBVCXNSAWRFQTH-RWMBFGLXSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990104 988819898 /nfs/dbraw/zinc/81/98/98/988819898.db2.gz OBVCXNSAWRFQTH-RWMBFGLXSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C[NH2+]1 ZINC001246987535 988822370 /nfs/dbraw/zinc/82/23/70/988822370.db2.gz HTUGCINDAXQUCR-RFQIPJPRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C[NH2+]1 ZINC001246987535 988822372 /nfs/dbraw/zinc/82/23/72/988822372.db2.gz HTUGCINDAXQUCR-RFQIPJPRSA-N 2 1 238.375 1.628 20 0 BDADMP CCCC[C@H](CC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990777 988826373 /nfs/dbraw/zinc/82/63/73/988826373.db2.gz QKVMSBNPGIUAKO-RYUDHWBXSA-N 2 1 226.364 1.615 20 0 BDADMP CCCC[C@H](CC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990777 988826374 /nfs/dbraw/zinc/82/63/74/988826374.db2.gz QKVMSBNPGIUAKO-RYUDHWBXSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC001246998906 988832401 /nfs/dbraw/zinc/83/24/01/988832401.db2.gz HPIQXRZBQFQBQF-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C1[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@H]12 ZINC001247016332 988845041 /nfs/dbraw/zinc/84/50/41/988845041.db2.gz SVCDSQYKCLOQOZ-RKQHYHRCSA-N 2 1 220.360 1.859 20 0 BDADMP C1[C@@H]2C[C@@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@H]12 ZINC001247016332 988845042 /nfs/dbraw/zinc/84/50/42/988845042.db2.gz SVCDSQYKCLOQOZ-RKQHYHRCSA-N 2 1 220.360 1.859 20 0 BDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc[nH]n1)CC2 ZINC001119259045 988868702 /nfs/dbraw/zinc/86/87/02/988868702.db2.gz IEFFSVDWKMRKMB-UHFFFAOYSA-N 2 1 249.362 1.113 20 0 BDADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)[nH]n1 ZINC001324848259 989000738 /nfs/dbraw/zinc/00/07/38/989000738.db2.gz APUVVTMQTWSUNA-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP C[N@@H+]1CCCC12CCN(c1cc[nH+]c(N)n1)CC2 ZINC001515606761 989077117 /nfs/dbraw/zinc/07/71/17/989077117.db2.gz RBBLTADQJAAVFX-UHFFFAOYSA-N 2 1 247.346 1.123 20 0 BDADMP C[N@H+]1CCCC12CCN(c1cc[nH+]c(N)n1)CC2 ZINC001515606761 989077129 /nfs/dbraw/zinc/07/71/29/989077129.db2.gz RBBLTADQJAAVFX-UHFFFAOYSA-N 2 1 247.346 1.123 20 0 BDADMP CC[N@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC001325744295 989248541 /nfs/dbraw/zinc/24/85/41/989248541.db2.gz UGVPDPYYQKUMKK-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cn(C)nc1C ZINC001325744903 989248985 /nfs/dbraw/zinc/24/89/85/989248985.db2.gz WPWJIBOHQHZWNW-NXEZZACHSA-N 2 1 224.352 1.377 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cn(C)nc1C ZINC001325744904 989249092 /nfs/dbraw/zinc/24/90/92/989249092.db2.gz WPWJIBOHQHZWNW-UWVGGRQHSA-N 2 1 224.352 1.377 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001119852920 989448696 /nfs/dbraw/zinc/44/86/96/989448696.db2.gz YSHZNXNWPYSSCS-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+]1CCC[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC001120007045 989560040 /nfs/dbraw/zinc/56/00/40/989560040.db2.gz FUXRMGQYQCPMCG-GFCCVEGCSA-N 2 1 249.358 1.718 20 0 BDADMP C[NH2+]CCCc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326485947 989580853 /nfs/dbraw/zinc/58/08/53/989580853.db2.gz LHCZVUJHOFBMTM-LBPRGKRZSA-N 2 1 246.314 1.270 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326687764 989652918 /nfs/dbraw/zinc/65/29/18/989652918.db2.gz KUCHTAPLCMCQGI-UHFFFAOYSA-N 2 1 248.374 1.386 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC001326688529 989653029 /nfs/dbraw/zinc/65/30/29/989653029.db2.gz SOBVYCRYRQUVEM-GRYCIOLGSA-N 2 1 241.379 1.103 20 0 BDADMP c1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC001120784771 989880848 /nfs/dbraw/zinc/88/08/48/989880848.db2.gz UWRLELQKNJZERN-KBPBESRZSA-N 2 1 231.343 1.932 20 0 BDADMP CC[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(N)n2)C1 ZINC001120809108 989895346 /nfs/dbraw/zinc/89/53/46/989895346.db2.gz BUNIIEMQKBBATA-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNc2cc[nH+]c(N)n2)C1 ZINC001120809108 989895347 /nfs/dbraw/zinc/89/53/47/989895347.db2.gz BUNIIEMQKBBATA-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC001120809133 989895960 /nfs/dbraw/zinc/89/59/60/989895960.db2.gz CCNKRVLLMOTVEF-SNVBAGLBSA-N 2 1 235.335 1.026 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N)ncn1 ZINC001120818824 989899169 /nfs/dbraw/zinc/89/91/69/989899169.db2.gz ZYOPUVZWZKFQCV-NSHDSACASA-N 2 1 249.362 1.369 20 0 BDADMP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N)[nH+]cn1 ZINC001120818824 989899170 /nfs/dbraw/zinc/89/91/70/989899170.db2.gz ZYOPUVZWZKFQCV-NSHDSACASA-N 2 1 249.362 1.369 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N)[nH+]cn1 ZINC001120818824 989899174 /nfs/dbraw/zinc/89/91/74/989899174.db2.gz ZYOPUVZWZKFQCV-NSHDSACASA-N 2 1 249.362 1.369 20 0 BDADMP CCOC(=O)CCC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001258102275 991016700 /nfs/dbraw/zinc/01/67/00/991016700.db2.gz ZKGLOQJHQJXQSM-JTQLQIEISA-N 2 1 230.352 1.435 20 0 BDADMP C[C@@H]1CC([N@H+](CC[NH3+])CCO)C[C@@H](C)C1 ZINC001258152234 991036563 /nfs/dbraw/zinc/03/65/63/991036563.db2.gz UFTDJKLRIMTJQT-QWRGUYRKSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1CC([N@@H+](CC[NH3+])CCO)C[C@@H](C)C1 ZINC001258152234 991036569 /nfs/dbraw/zinc/03/65/69/991036569.db2.gz UFTDJKLRIMTJQT-QWRGUYRKSA-N 2 1 214.353 1.064 20 0 BDADMP CCC1(C[N@@H+](C)CCC[NH+](C)C)COC1 ZINC001202912870 991208865 /nfs/dbraw/zinc/20/88/65/991208865.db2.gz XCSQQXWPZAOYQI-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258321941 991246603 /nfs/dbraw/zinc/24/66/03/991246603.db2.gz UIBBNTHUZCSRSF-GHMZBOCLSA-N 2 1 246.420 1.566 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258321941 991246611 /nfs/dbraw/zinc/24/66/11/991246611.db2.gz UIBBNTHUZCSRSF-GHMZBOCLSA-N 2 1 246.420 1.566 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC[NH+]3CCCCC3)C[C@@H]21 ZINC001559852006 991282077 /nfs/dbraw/zinc/28/20/77/991282077.db2.gz AFBTZNSJXQWGCZ-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP CCC1(C[N@@H+](C)CCC[NH+]2CCCC2)COC1 ZINC001202957304 991305596 /nfs/dbraw/zinc/30/55/96/991305596.db2.gz BYHJQDZQRATXLR-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP CCOC(=O)CC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001258472770 991439323 /nfs/dbraw/zinc/43/93/23/991439323.db2.gz HOBOBYZZCOGXPY-SECBINFHSA-N 2 1 216.325 1.045 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CCC(C)(C)C1 ZINC001258594258 991490870 /nfs/dbraw/zinc/49/08/70/991490870.db2.gz FDAXSLUJCGDENT-WDEREUQCSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001258610520 991532950 /nfs/dbraw/zinc/53/29/50/991532950.db2.gz OZQNXABLQBMXBY-TZMCWYRMSA-N 2 1 233.359 1.554 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]C(C)(C)C[NH3+] ZINC001258610325 991533989 /nfs/dbraw/zinc/53/39/89/991533989.db2.gz JXOCPHGLFMBJOB-SNVBAGLBSA-N 2 1 207.321 1.340 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)OC ZINC001560811189 991611647 /nfs/dbraw/zinc/61/16/47/991611647.db2.gz BFTXQIKMHYIVMU-LLVKDONJSA-N 2 1 202.342 1.295 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3ccncn3)C2)CC1 ZINC001140351402 991625343 /nfs/dbraw/zinc/62/53/43/991625343.db2.gz WRKLZCJLNHBNGP-UHFFFAOYSA-N 2 1 232.331 1.004 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC001561057883 991708547 /nfs/dbraw/zinc/70/85/47/991708547.db2.gz ZKVPHHQOFFNMHF-LBPRGKRZSA-N 2 1 248.374 1.355 20 0 BDADMP CC[N@H+](C)[C@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC001561057883 991708557 /nfs/dbraw/zinc/70/85/57/991708557.db2.gz ZKVPHHQOFFNMHF-LBPRGKRZSA-N 2 1 248.374 1.355 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC001561057883 991708570 /nfs/dbraw/zinc/70/85/70/991708570.db2.gz ZKVPHHQOFFNMHF-LBPRGKRZSA-N 2 1 248.374 1.355 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ncon1 ZINC001258897285 991889682 /nfs/dbraw/zinc/88/96/82/991889682.db2.gz HQOXVYZPTPUGEV-LLVKDONJSA-N 2 1 240.351 1.670 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001258906497 991896437 /nfs/dbraw/zinc/89/64/37/991896437.db2.gz DEEHVWLXAHRTKP-LBPRGKRZSA-N 3 1 227.396 1.578 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@](N)(CC)CO ZINC001258902320 991896769 /nfs/dbraw/zinc/89/67/69/991896769.db2.gz RWRCYUHNPJVTSW-QWHCGFSZSA-N 2 1 245.411 1.144 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](C)(O)C1 ZINC001258910384 991899850 /nfs/dbraw/zinc/89/98/50/991899850.db2.gz QTHWLJBEOSPPCK-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@H+]1CCC[C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC001261423344 992295008 /nfs/dbraw/zinc/29/50/08/992295008.db2.gz UGVPDPYYQKUMKK-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261489878 992340179 /nfs/dbraw/zinc/34/01/79/992340179.db2.gz HTIUWGNXBQPGSQ-UHFFFAOYSA-N 2 1 248.374 1.386 20 0 BDADMP CC[C@]1(C)CCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001573709397 992682506 /nfs/dbraw/zinc/68/25/06/992682506.db2.gz KLTCMYJHPHUISX-ZIAGYGMSSA-N 2 1 240.391 1.613 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262202527 992799215 /nfs/dbraw/zinc/79/92/15/992799215.db2.gz WGJNIXZZWXGMBB-NDBYEHHHSA-N 3 1 239.407 1.208 20 0 BDADMP O[C@@]1(C[N@H+]2CCC[C@H](C3CC3)C2)CCC[NH2+]C1 ZINC001574440436 992859772 /nfs/dbraw/zinc/85/97/72/992859772.db2.gz DOXVIHBJNDIUCA-KBPBESRZSA-N 2 1 238.375 1.223 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC001262486020 992890653 /nfs/dbraw/zinc/89/06/53/992890653.db2.gz LFYOINIHVBUXEI-LBELIVKGSA-N 2 1 208.349 1.702 20 0 BDADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001575125437 992993362 /nfs/dbraw/zinc/99/33/62/992993362.db2.gz RJQMOBIYGPGMCY-XQQFMLRXSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)(C)n1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cn1 ZINC001575294578 993004103 /nfs/dbraw/zinc/00/41/03/993004103.db2.gz PMWXGLKFPGUNEZ-PHIMTYICSA-N 2 1 222.336 1.217 20 0 BDADMP CC(C)(C[NH3+])CNC[C@@H]1CC[N@H+]1C(C)(C)C ZINC001575314855 993010218 /nfs/dbraw/zinc/01/02/18/993010218.db2.gz AGWRBIBVNQOGIA-NSHDSACASA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)(C[NH3+])C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC001575314855 993010219 /nfs/dbraw/zinc/01/02/19/993010219.db2.gz AGWRBIBVNQOGIA-NSHDSACASA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC001575358347 993022464 /nfs/dbraw/zinc/02/24/64/993022464.db2.gz OLUUANZEXIMVJU-UHFFFAOYSA-N 2 1 245.330 1.299 20 0 BDADMP CC(C)[C@](C)(C[NH3+])NC[C@H]1CCC[N@H+]1C ZINC001575409343 993036462 /nfs/dbraw/zinc/03/64/62/993036462.db2.gz BIKNAOXDFNKFCM-NEPJUHHUSA-N 2 1 213.369 1.044 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001575421757 993040525 /nfs/dbraw/zinc/04/05/25/993040525.db2.gz CNXISJXQUOFPAE-ZIAGYGMSSA-N 3 1 239.407 1.149 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CS1 ZINC001575499251 993060724 /nfs/dbraw/zinc/06/07/24/993060724.db2.gz QTUGNKBFMDMPJG-ZFQMDJOTSA-N 2 1 240.416 1.858 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@@H](C[NH3+])C1CC1 ZINC001575566272 993071857 /nfs/dbraw/zinc/07/18/57/993071857.db2.gz SLUZDJJWCRCUFL-RYUDHWBXSA-N 2 1 214.353 1.110 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N(C)CC23CC(C2)C[NH2+]3)C1 ZINC001575697290 993094209 /nfs/dbraw/zinc/09/42/09/993094209.db2.gz UJFWSBIIECZNBT-MOKVOYLWSA-N 2 1 237.391 1.153 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)NC[C@H]([NH3+])CC(F)F ZINC001575689698 993096123 /nfs/dbraw/zinc/09/61/23/993096123.db2.gz VQCDOMVYBKCLML-NXEZZACHSA-N 2 1 237.338 1.287 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575689566 993096431 /nfs/dbraw/zinc/09/64/31/993096431.db2.gz RLJPEBRGQHUCPZ-CQLXCSJHSA-N 3 1 225.380 1.185 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575689566 993096437 /nfs/dbraw/zinc/09/64/37/993096437.db2.gz RLJPEBRGQHUCPZ-CQLXCSJHSA-N 3 1 225.380 1.185 20 0 BDADMP CC(C)n1cncc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001575904713 993122008 /nfs/dbraw/zinc/12/20/08/993122008.db2.gz XNDYHQAMJGVGRV-MGCOHNPYSA-N 2 1 208.309 1.043 20 0 BDADMP C[C@@H](C[C@H]1CCOC1)[NH2+]C(C)(C)C[NH3+] ZINC001575941051 993134139 /nfs/dbraw/zinc/13/41/39/993134139.db2.gz HXOGJCCWJHKTDM-VHSXEESVSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@H](CO)[N@@H+](CC1CCC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC001576038508 993162610 /nfs/dbraw/zinc/16/26/10/993162610.db2.gz VZYYYFQNBWYSOS-BZPMIXESSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001576155755 993195279 /nfs/dbraw/zinc/19/52/79/993195279.db2.gz CESTVTRMSCWIQA-SDDRHHMPSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001576155755 993195283 /nfs/dbraw/zinc/19/52/83/993195283.db2.gz CESTVTRMSCWIQA-SDDRHHMPSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001576157155 993197041 /nfs/dbraw/zinc/19/70/41/993197041.db2.gz OFJAZHXMSIDRAY-NEPJUHHUSA-N 2 1 225.380 1.282 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC000378665154 993198955 /nfs/dbraw/zinc/19/89/55/993198955.db2.gz FPNRRQKTWLYURO-YNEHKIRRSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC1(F)F ZINC001576249926 993234477 /nfs/dbraw/zinc/23/44/77/993234477.db2.gz BSVPPKDZNQPNBB-FNCVBFRFSA-N 2 1 204.264 1.228 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001576267579 993242186 /nfs/dbraw/zinc/24/21/86/993242186.db2.gz WYPUQDHSRUPYDN-RVMXOQNASA-N 2 1 226.364 1.077 20 0 BDADMP CCC[NH+]1CCC(NCC2C[NH+](C)C2)CC1 ZINC000379435987 993242494 /nfs/dbraw/zinc/24/24/94/993242494.db2.gz HGSJWEPJXZIITF-UHFFFAOYSA-N 2 1 225.380 1.012 20 0 BDADMP CCOCC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000380088293 993309413 /nfs/dbraw/zinc/30/94/13/993309413.db2.gz IEHWRFUJXDDXTH-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP C[C@]1(C[N@@H+]2CCC[C@@H]([NH3+])C2)CCCCO1 ZINC001576503651 993326469 /nfs/dbraw/zinc/32/64/69/993326469.db2.gz UNDLASACFVSSAU-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H]([NH3+])C2)CCCCO1 ZINC001576503651 993326472 /nfs/dbraw/zinc/32/64/72/993326472.db2.gz UNDLASACFVSSAU-VXGBXAGGSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@H]1C(=O)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001576564973 993343571 /nfs/dbraw/zinc/34/35/71/993343571.db2.gz RUTXEUWZTDOMKD-JTQLQIEISA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H]1C(=O)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001576564973 993343578 /nfs/dbraw/zinc/34/35/78/993343578.db2.gz RUTXEUWZTDOMKD-JTQLQIEISA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H]1[C@@H](N(C)C)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573608 993350214 /nfs/dbraw/zinc/35/02/14/993350214.db2.gz SNPPSLKXUNOBGT-RVMXOQNASA-N 2 1 225.380 1.138 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CC2CC[NH2+]CC2)CCO1 ZINC001576597091 993361738 /nfs/dbraw/zinc/36/17/38/993361738.db2.gz DIOLORHEFLMEAE-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC001576608286 993366722 /nfs/dbraw/zinc/36/67/22/993366722.db2.gz PPCULUFFIOUDBN-MWLCHTKSSA-N 2 1 221.304 1.099 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH3+])C[C@H]1F ZINC001576729760 993409498 /nfs/dbraw/zinc/40/94/98/993409498.db2.gz XYPMUVGIWZHSMZ-NXEZZACHSA-N 2 1 202.317 1.651 20 0 BDADMP C[C@@H]1CC[N@H+](CC(C)(C)C[NH3+])C[C@H]1F ZINC001576729760 993409492 /nfs/dbraw/zinc/40/94/92/993409492.db2.gz XYPMUVGIWZHSMZ-NXEZZACHSA-N 2 1 202.317 1.651 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC001576729683 993409518 /nfs/dbraw/zinc/40/95/18/993409518.db2.gz VZVYCZBQXICMQA-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576731938 993409638 /nfs/dbraw/zinc/40/96/38/993409638.db2.gz PQKBGCBNAZNZOI-XGFWRYKXSA-N 2 1 240.391 1.323 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC001576729684 993409806 /nfs/dbraw/zinc/40/98/06/993409806.db2.gz VZVYCZBQXICMQA-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1C[N@@H+](CC(=O)OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001576800833 993427741 /nfs/dbraw/zinc/42/77/41/993427741.db2.gz MXLBUXVZYMAFCQ-WDEREUQCSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H]1C[N@@H+](CC(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC001576800831 993428813 /nfs/dbraw/zinc/42/88/13/993428813.db2.gz MXLBUXVZYMAFCQ-MNOVXSKESA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC001576903601 993450520 /nfs/dbraw/zinc/45/05/20/993450520.db2.gz MDZANGCCWDUFGJ-HGCLJGPKSA-N 2 1 212.337 1.140 20 0 BDADMP C[C@H]1OCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@@H]1C ZINC001576903139 993451601 /nfs/dbraw/zinc/45/16/01/993451601.db2.gz GWLLUBLTZDSTMF-WISYIIOYSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1CC[C@H](N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C[NH2+]1 ZINC000382412694 993458614 /nfs/dbraw/zinc/45/86/14/993458614.db2.gz JBRFXEKOPLWZMZ-MQYQWHSLSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[NH2+]1 ZINC000382412694 993458617 /nfs/dbraw/zinc/45/86/17/993458617.db2.gz JBRFXEKOPLWZMZ-MQYQWHSLSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[NH2+]1 ZINC000382412694 993458620 /nfs/dbraw/zinc/45/86/20/993458620.db2.gz JBRFXEKOPLWZMZ-MQYQWHSLSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[NH2+]1 ZINC000382412694 993458625 /nfs/dbraw/zinc/45/86/25/993458625.db2.gz JBRFXEKOPLWZMZ-MQYQWHSLSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[NH2+]1 ZINC000382412694 993458627 /nfs/dbraw/zinc/45/86/27/993458627.db2.gz JBRFXEKOPLWZMZ-MQYQWHSLSA-N 3 1 237.391 1.010 20 0 BDADMP CC[C@](C)(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576949157 993465113 /nfs/dbraw/zinc/46/51/13/993465113.db2.gz FANWBYWPCSWIIB-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576949157 993465118 /nfs/dbraw/zinc/46/51/18/993465118.db2.gz FANWBYWPCSWIIB-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@](C)(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC001576949877 993465143 /nfs/dbraw/zinc/46/51/43/993465143.db2.gz TYDFGKYDAUQOOJ-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001576967933 993467897 /nfs/dbraw/zinc/46/78/97/993467897.db2.gz YLOOKAMIQVWPAQ-SRVKXCTJSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001576967933 993467900 /nfs/dbraw/zinc/46/79/00/993467900.db2.gz YLOOKAMIQVWPAQ-SRVKXCTJSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001576967934 993468299 /nfs/dbraw/zinc/46/82/99/993468299.db2.gz YLOOKAMIQVWPAQ-TUAOUCFPSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001576967934 993468303 /nfs/dbraw/zinc/46/83/03/993468303.db2.gz YLOOKAMIQVWPAQ-TUAOUCFPSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC001576961014 993471084 /nfs/dbraw/zinc/47/10/84/993471084.db2.gz KLHTZZWSPFYAET-FVCCEPFGSA-N 2 1 226.364 1.199 20 0 BDADMP CC[C@H](C)C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(=O)OC ZINC001576984255 993479719 /nfs/dbraw/zinc/47/97/19/993479719.db2.gz IPRWAKBJRXESNG-YFKTTZPYSA-N 2 1 242.363 1.291 20 0 BDADMP CCC(CC)(C[NH3+])C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001577051218 993491461 /nfs/dbraw/zinc/49/14/61/993491461.db2.gz MAWCUDQWHVPOGK-LLVKDONJSA-N 2 1 226.364 1.208 20 0 BDADMP CCC(CC)(C[NH3+])[NH2+]Cc1cn(C)nc1C ZINC001577059822 993492406 /nfs/dbraw/zinc/49/24/06/993492406.db2.gz XKJKJNZRQCRDKS-UHFFFAOYSA-N 2 1 224.352 1.336 20 0 BDADMP CCC(CC)(C[NH3+])[NH2+]C[C@H](C)COC ZINC001577059240 993493448 /nfs/dbraw/zinc/49/34/48/993493448.db2.gz PEHBOOCAYJJVFC-JTQLQIEISA-N 2 1 202.342 1.376 20 0 BDADMP Cc1ccncc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000383665677 993511593 /nfs/dbraw/zinc/51/15/93/993511593.db2.gz MWTZNRSIVGMPOE-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP CC[C@H]1COCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577300575 993584196 /nfs/dbraw/zinc/58/41/96/993584196.db2.gz URHBYDTXHDXIHN-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC001577387952 993637838 /nfs/dbraw/zinc/63/78/38/993637838.db2.gz CNOHTNBKUHXDFD-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC001577444874 993663523 /nfs/dbraw/zinc/66/35/23/993663523.db2.gz HKDIGEMHYABWTE-UTUOFQBUSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC001577510199 993675588 /nfs/dbraw/zinc/67/55/88/993675588.db2.gz FEBYHMZTSOSGAK-NWDGAFQWSA-N 2 1 243.395 1.206 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000386265337 993686085 /nfs/dbraw/zinc/68/60/85/993686085.db2.gz WAHJFHHJQKTZSC-KGLIPLIRSA-N 2 1 246.354 1.776 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000386265337 993686091 /nfs/dbraw/zinc/68/60/91/993686091.db2.gz WAHJFHHJQKTZSC-KGLIPLIRSA-N 2 1 246.354 1.776 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000386265337 993686097 /nfs/dbraw/zinc/68/60/97/993686097.db2.gz WAHJFHHJQKTZSC-KGLIPLIRSA-N 2 1 246.354 1.776 20 0 BDADMP CC[N@H+]1CC[C@H](n2c(C)nc3c2C[NH2+]CC3)C1 ZINC000389617525 993756353 /nfs/dbraw/zinc/75/63/53/993756353.db2.gz ZTLCEOOGGLRTPA-NSHDSACASA-N 2 1 234.347 1.104 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2cnccn2)CC1 ZINC000390076666 993775220 /nfs/dbraw/zinc/77/52/20/993775220.db2.gz XEZKEHVBXFPHTB-GFCCVEGCSA-N 2 1 234.347 1.093 20 0 BDADMP CC(C)(O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000390570011 993797683 /nfs/dbraw/zinc/79/76/83/993797683.db2.gz MYFWPHFKLFQVBB-UHFFFAOYSA-N 2 1 226.364 1.364 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392765772 993883730 /nfs/dbraw/zinc/88/37/30/993883730.db2.gz SPWYAKUIPSXKPP-GFCCVEGCSA-N 2 1 235.331 1.361 20 0 BDADMP CC(C)O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000701668403 993902600 /nfs/dbraw/zinc/90/26/00/993902600.db2.gz QHARUQFOSZXJNW-PIGZVRMJSA-N 2 1 238.375 1.769 20 0 BDADMP Cc1nccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC000393885652 994018844 /nfs/dbraw/zinc/01/88/44/994018844.db2.gz RSXNTSGVPPABMK-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP Cc1nccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC000393885652 994018848 /nfs/dbraw/zinc/01/88/48/994018848.db2.gz RSXNTSGVPPABMK-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000393988166 994027974 /nfs/dbraw/zinc/02/79/74/994027974.db2.gz NYQPSCFCUNVPNL-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000704890306 994049794 /nfs/dbraw/zinc/04/97/94/994049794.db2.gz JYPCAJWPSHXVFK-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000704890306 994049805 /nfs/dbraw/zinc/04/98/05/994049805.db2.gz JYPCAJWPSHXVFK-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C[NH2+]1 ZINC000724810198 994081238 /nfs/dbraw/zinc/08/12/38/994081238.db2.gz WNZSGHXYZBNPSW-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3OCC[C@@H]3C2)C[NH2+]1 ZINC000724810198 994081248 /nfs/dbraw/zinc/08/12/48/994081248.db2.gz WNZSGHXYZBNPSW-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP c1ccc(CCC[NH2+][C@@H]2CCC[NH2+]C2)nc1 ZINC000822118685 994416796 /nfs/dbraw/zinc/41/67/96/994416796.db2.gz AUCWCIXLPTYVMT-CYBMUJFWSA-N 2 1 219.332 1.356 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307989851 995513279 /nfs/dbraw/zinc/51/32/79/995513279.db2.gz VLCFXRWZLTUUQN-RQJABVFESA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307989851 995513289 /nfs/dbraw/zinc/51/32/89/995513289.db2.gz VLCFXRWZLTUUQN-RQJABVFESA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307989851 995513294 /nfs/dbraw/zinc/51/32/94/995513294.db2.gz VLCFXRWZLTUUQN-RQJABVFESA-N 2 1 238.375 1.295 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000228076042 178008268 /nfs/dbraw/zinc/00/82/68/178008268.db2.gz IJCPGXCXHSQJGI-ZJUUUORDSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000228076042 178008271 /nfs/dbraw/zinc/00/82/71/178008271.db2.gz IJCPGXCXHSQJGI-ZJUUUORDSA-N 2 1 209.293 1.152 20 0 BDADMP OCC1([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415088028 398157167 /nfs/dbraw/zinc/15/71/67/398157167.db2.gz LMNWWESHGPHRNB-KBPBESRZSA-N 2 1 246.354 1.594 20 0 BDADMP OCC1([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415088031 398157234 /nfs/dbraw/zinc/15/72/34/398157234.db2.gz LMNWWESHGPHRNB-KGLIPLIRSA-N 2 1 246.354 1.594 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422939378 398158409 /nfs/dbraw/zinc/15/84/09/398158409.db2.gz RGNBDCUZVZNROR-BBBLOLIVSA-N 2 1 202.367 1.326 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000390454128 398173838 /nfs/dbraw/zinc/17/38/38/398173838.db2.gz CCYCBOBTIPCGMF-AAEUAGOBSA-N 2 1 208.349 1.860 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn[nH]c1 ZINC000608058566 398175934 /nfs/dbraw/zinc/17/59/34/398175934.db2.gz DZLFRDCMNWTSDE-UHFFFAOYSA-N 2 1 233.319 1.485 20 0 BDADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050580345 178084764 /nfs/dbraw/zinc/08/47/64/178084764.db2.gz NSFNHIIUSCNZJO-NSHDSACASA-N 2 1 222.307 1.915 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](O)C1CC1 ZINC000162562122 538923791 /nfs/dbraw/zinc/92/37/91/538923791.db2.gz YFMNHFXIYORCQM-STQMWFEESA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H](O)C1CC1 ZINC000162562122 538923793 /nfs/dbraw/zinc/92/37/93/538923793.db2.gz YFMNHFXIYORCQM-STQMWFEESA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H](O)C1CC1 ZINC000162562122 538923794 /nfs/dbraw/zinc/92/37/94/538923794.db2.gz YFMNHFXIYORCQM-STQMWFEESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1OCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000380588358 398201265 /nfs/dbraw/zinc/20/12/65/398201265.db2.gz SCBNHUFZRDZPPM-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(C)[nH+]1 ZINC000278836416 178120985 /nfs/dbraw/zinc/12/09/85/178120985.db2.gz VOTYRZNMURJSAJ-TXEJJXNPSA-N 2 1 232.331 1.091 20 0 BDADMP Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(C)[nH+]1 ZINC000278836416 178120988 /nfs/dbraw/zinc/12/09/88/178120988.db2.gz VOTYRZNMURJSAJ-TXEJJXNPSA-N 2 1 232.331 1.091 20 0 BDADMP CCc1cc(NC[C@@](C)([NH3+])COC)nc(C)[nH+]1 ZINC000272837751 538926289 /nfs/dbraw/zinc/92/62/89/538926289.db2.gz HWUHIHSZIQVASM-GFCCVEGCSA-N 2 1 238.335 1.123 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)no1 ZINC000069724285 398213511 /nfs/dbraw/zinc/21/35/11/398213511.db2.gz KGPLDUATYWZWTP-NSHDSACASA-N 2 1 223.320 1.544 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])on1 ZINC000069720963 398213571 /nfs/dbraw/zinc/21/35/71/398213571.db2.gz ISWJEBINJPNSRU-LLVKDONJSA-N 2 1 223.320 1.686 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])on1 ZINC000069720963 398213572 /nfs/dbraw/zinc/21/35/72/398213572.db2.gz ISWJEBINJPNSRU-LLVKDONJSA-N 2 1 223.320 1.686 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)on1 ZINC000069724160 398213981 /nfs/dbraw/zinc/21/39/81/398213981.db2.gz PFNUOIKBYHCJAU-NSHDSACASA-N 2 1 223.320 1.544 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000381009217 398218811 /nfs/dbraw/zinc/21/88/11/398218811.db2.gz ROPPZXNOPPVMRA-JQWIXIFHSA-N 2 1 222.336 1.011 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000082581088 136221710 /nfs/dbraw/zinc/22/17/10/136221710.db2.gz HWLYQCBYACABFC-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649414411 398212743 /nfs/dbraw/zinc/21/27/43/398212743.db2.gz YHOCVMZEECCXPQ-ZIAGYGMSSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000050163688 178185643 /nfs/dbraw/zinc/18/56/43/178185643.db2.gz FGRIOCNSTJADHP-PWSUYJOCSA-N 2 1 234.347 1.893 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132973791 398232551 /nfs/dbraw/zinc/23/25/51/398232551.db2.gz LJEVZWOJDREIBG-WZRBSPASSA-N 2 1 241.379 1.103 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000334865886 398236445 /nfs/dbraw/zinc/23/64/45/398236445.db2.gz CSBQDXKZPRFGIN-VXGBXAGGSA-N 2 1 214.328 1.951 20 0 BDADMP CC(C)[N@@H+](C)CCNC1CC[NH+](C2CC2)CC1 ZINC000336713908 398240526 /nfs/dbraw/zinc/24/05/26/398240526.db2.gz ONBJQWMIFCKREE-UHFFFAOYSA-N 2 1 239.407 1.543 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000390816895 398250121 /nfs/dbraw/zinc/25/01/21/398250121.db2.gz MYTXWSOALJDKHS-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000390816895 398250125 /nfs/dbraw/zinc/25/01/25/398250125.db2.gz MYTXWSOALJDKHS-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000384510941 398259359 /nfs/dbraw/zinc/25/93/59/398259359.db2.gz TWMQRDAPOZMHQS-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000384510941 398259363 /nfs/dbraw/zinc/25/93/63/398259363.db2.gz TWMQRDAPOZMHQS-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647997556 398255845 /nfs/dbraw/zinc/25/58/45/398255845.db2.gz NFYQSEWLOJMGQA-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381604046 398266415 /nfs/dbraw/zinc/26/64/15/398266415.db2.gz PDEDGMRZRFXHEJ-GHMZBOCLSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCSC1 ZINC000166561426 361852206 /nfs/dbraw/zinc/85/22/06/361852206.db2.gz CWVXEXUWRWFVEP-NSHDSACASA-N 2 1 216.394 1.812 20 0 BDADMP Cc1ccoc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335613665 136237432 /nfs/dbraw/zinc/23/74/32/136237432.db2.gz UUDFWNNJQNOQTK-FOSCPWQOSA-N 2 1 220.316 1.961 20 0 BDADMP CC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H](C)[NH2+]1 ZINC000624699005 342819879 /nfs/dbraw/zinc/81/98/79/342819879.db2.gz INHFQCAXHAUAFF-CMPLNLGQSA-N 2 1 234.347 1.670 20 0 BDADMP C([NH2+]C1CSC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000379659744 538979297 /nfs/dbraw/zinc/97/92/97/538979297.db2.gz OOGAHZTXMSRPLJ-SECBINFHSA-N 2 1 212.362 1.176 20 0 BDADMP C([NH2+]C1CSC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000379659745 538979079 /nfs/dbraw/zinc/97/90/79/538979079.db2.gz OOGAHZTXMSRPLJ-VIFPVBQESA-N 2 1 212.362 1.176 20 0 BDADMP Cc1cc(NCC[NH2+]C(C)(C)C)nc(C)[nH+]1 ZINC000189332021 538982442 /nfs/dbraw/zinc/98/24/42/538982442.db2.gz DMMVAIYJFKAGKR-UHFFFAOYSA-N 2 1 222.336 1.893 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCOC ZINC000045693756 538993507 /nfs/dbraw/zinc/99/35/07/538993507.db2.gz ZOJLZHHUFRNVMR-NWDGAFQWSA-N 2 1 216.369 1.731 20 0 BDADMP Cc1nc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000390561479 539026404 /nfs/dbraw/zinc/02/64/04/539026404.db2.gz SCQOZAJEBOTWEY-PHIMTYICSA-N 2 1 237.372 1.145 20 0 BDADMP Cc1nc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000390561479 539026405 /nfs/dbraw/zinc/02/64/05/539026405.db2.gz SCQOZAJEBOTWEY-PHIMTYICSA-N 2 1 237.372 1.145 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000167330726 136245496 /nfs/dbraw/zinc/24/54/96/136245496.db2.gz OKJUPXFJWPLMJC-UPJWGTAASA-N 2 1 227.396 1.256 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)C)[C@H](C)C1 ZINC000167330726 136245497 /nfs/dbraw/zinc/24/54/97/136245497.db2.gz OKJUPXFJWPLMJC-UPJWGTAASA-N 2 1 227.396 1.256 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)C)[C@H](C)C1 ZINC000167330726 136245498 /nfs/dbraw/zinc/24/54/98/136245498.db2.gz OKJUPXFJWPLMJC-UPJWGTAASA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480147 136246194 /nfs/dbraw/zinc/24/61/94/136246194.db2.gz TYYMNTOQNCTYDE-AVGNSLFASA-N 2 1 226.364 1.471 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000336681137 346903665 /nfs/dbraw/zinc/90/36/65/346903665.db2.gz BJQIVNXWQXSISX-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235075831 342977229 /nfs/dbraw/zinc/97/72/29/342977229.db2.gz GFYIUXJNJLSTRS-RYUDHWBXSA-N 2 1 222.332 1.942 20 0 BDADMP CN(CC[C@@H]1CCC[N@H+]1C)CC[NH+]1CCCC1 ZINC000162493437 349730971 /nfs/dbraw/zinc/73/09/71/349730971.db2.gz WFDCLULOELUPSX-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CCCC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000309223006 259341999 /nfs/dbraw/zinc/34/19/99/259341999.db2.gz HCBIHIUSADJJRE-CHWSQXEVSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000309223006 259342001 /nfs/dbraw/zinc/34/20/01/259342001.db2.gz HCBIHIUSADJJRE-CHWSQXEVSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000309223006 259342002 /nfs/dbraw/zinc/34/20/02/259342002.db2.gz HCBIHIUSADJJRE-CHWSQXEVSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000309223006 259342004 /nfs/dbraw/zinc/34/20/04/259342004.db2.gz HCBIHIUSADJJRE-CHWSQXEVSA-N 2 1 230.396 1.810 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000335906772 136260616 /nfs/dbraw/zinc/26/06/16/136260616.db2.gz XSIXBNJVPBKGDY-OCCSQVGLSA-N 2 1 231.343 1.453 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022217327 343044339 /nfs/dbraw/zinc/04/43/39/343044339.db2.gz VNDKYGXQNXUETE-UHFFFAOYSA-N 2 1 235.331 1.424 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1COCC1(C)C ZINC000313984572 259345678 /nfs/dbraw/zinc/34/56/78/259345678.db2.gz MTZWYLMNWQKCRV-LBPRGKRZSA-N 2 1 237.347 1.367 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000576976316 365740221 /nfs/dbraw/zinc/74/02/21/365740221.db2.gz YDLDRBLTADRYGU-BXUZGUMPSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000124539139 343162748 /nfs/dbraw/zinc/16/27/48/343162748.db2.gz VRNUFPBQMMVNIJ-GWCFXTLKSA-N 2 1 247.342 1.097 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000124539139 343162752 /nfs/dbraw/zinc/16/27/52/343162752.db2.gz VRNUFPBQMMVNIJ-GWCFXTLKSA-N 2 1 247.342 1.097 20 0 BDADMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000576976318 365739714 /nfs/dbraw/zinc/73/97/14/365739714.db2.gz YDLDRBLTADRYGU-RISCZKNCSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(O)c1 ZINC000168849498 343210625 /nfs/dbraw/zinc/21/06/25/343210625.db2.gz MODTZMYBIHXRTG-CMPLNLGQSA-N 2 1 220.316 1.704 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(O)c1 ZINC000168849498 343210626 /nfs/dbraw/zinc/21/06/26/343210626.db2.gz MODTZMYBIHXRTG-CMPLNLGQSA-N 2 1 220.316 1.704 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000082503744 136276718 /nfs/dbraw/zinc/27/67/18/136276718.db2.gz KMRZRFRSYGUAAS-LBPRGKRZSA-N 2 1 222.307 1.915 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+]2CCCCC[C@H]([NH3+])C2)O1 ZINC000634687915 343245606 /nfs/dbraw/zinc/24/56/06/343245606.db2.gz CXMLMCSGLYLOTI-AGIUHOORSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCCCC[C@H]([NH3+])C2)O1 ZINC000634687915 343245608 /nfs/dbraw/zinc/24/56/08/343245608.db2.gz CXMLMCSGLYLOTI-AGIUHOORSA-N 2 1 226.364 1.757 20 0 BDADMP CC(C)COCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000232635195 136279420 /nfs/dbraw/zinc/27/94/20/136279420.db2.gz AJHVHTLBHSTRMP-UHFFFAOYSA-N 2 1 216.369 1.576 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)O1 ZINC000634688541 343249139 /nfs/dbraw/zinc/24/91/39/343249139.db2.gz VVAOQCYLSOQWDY-XDQVBPFNSA-N 2 1 238.375 1.485 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC12CC2 ZINC000565243278 323038992 /nfs/dbraw/zinc/03/89/92/323038992.db2.gz BZZHBFKDJICUJF-LBPRGKRZSA-N 2 1 219.332 1.885 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000069626881 343286814 /nfs/dbraw/zinc/28/68/14/343286814.db2.gz WXMGAQFTROTTRJ-ZJUUUORDSA-N 2 1 209.293 1.234 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000069626881 343286816 /nfs/dbraw/zinc/28/68/16/343286816.db2.gz WXMGAQFTROTTRJ-ZJUUUORDSA-N 2 1 209.293 1.234 20 0 BDADMP Cc1[nH+]ccn1CCCN1CCC[C@@H]([NH3+])C1 ZINC000348755910 136297644 /nfs/dbraw/zinc/29/76/44/136297644.db2.gz JXXKKUNXCQKXRE-GFCCVEGCSA-N 2 1 222.336 1.005 20 0 BDADMP Fc1cccc(CCC[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000348757787 136297868 /nfs/dbraw/zinc/29/78/68/136297868.db2.gz XWANRCPANHHPDF-CYBMUJFWSA-N 2 1 222.307 1.710 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335636510 136301066 /nfs/dbraw/zinc/30/10/66/136301066.db2.gz MBSJGRGYVAYKSC-YWPUVAFDSA-N 3 1 225.380 1.092 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000335641595 136308666 /nfs/dbraw/zinc/30/86/66/136308666.db2.gz UFVFNBPLLQAMDR-GZMMTYOYSA-N 2 1 239.388 1.990 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000166217870 136309977 /nfs/dbraw/zinc/30/99/77/136309977.db2.gz BVLRQCZWGMHSIS-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccnn1C ZINC000335694643 136326502 /nfs/dbraw/zinc/32/65/02/136326502.db2.gz IZWZYQAAIFBKRS-WCQYABFASA-N 2 1 236.363 1.192 20 0 BDADMP Cc1nccn1CC[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351100603 136367534 /nfs/dbraw/zinc/36/75/34/136367534.db2.gz NDCUKYDVKATVSY-CYBMUJFWSA-N 2 1 237.347 1.548 20 0 BDADMP Cc1nccn1CCN1CCO[C@@H](C(C)C)C1 ZINC000351100603 136367535 /nfs/dbraw/zinc/36/75/35/136367535.db2.gz NDCUKYDVKATVSY-CYBMUJFWSA-N 2 1 237.347 1.548 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CC3)CC[C@H]21 ZINC000247974603 136373487 /nfs/dbraw/zinc/37/34/87/136373487.db2.gz HPPXMLGVMLDJHV-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC000247974603 136373488 /nfs/dbraw/zinc/37/34/88/136373488.db2.gz HPPXMLGVMLDJHV-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC000247974603 136373489 /nfs/dbraw/zinc/37/34/89/136373489.db2.gz HPPXMLGVMLDJHV-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP CC(C)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000258748480 136373743 /nfs/dbraw/zinc/37/37/43/136373743.db2.gz ABCIZYXGXAMYEV-AWEZNQCLSA-N 2 1 236.359 1.561 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000083551670 343490082 /nfs/dbraw/zinc/49/00/82/343490082.db2.gz OQNOJFUZVYHXNA-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000379944595 365755803 /nfs/dbraw/zinc/75/58/03/365755803.db2.gz ISZVXNYIAJWLRN-NEPJUHHUSA-N 2 1 216.369 1.587 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000379944595 365755809 /nfs/dbraw/zinc/75/58/09/365755809.db2.gz ISZVXNYIAJWLRN-NEPJUHHUSA-N 2 1 216.369 1.587 20 0 BDADMP COc1ccccc1C[NH2+]CCn1cc[nH+]c1C ZINC000049329732 343595646 /nfs/dbraw/zinc/59/56/46/343595646.db2.gz TTZNLANVACCINY-UHFFFAOYSA-N 2 1 245.326 1.990 20 0 BDADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCSCC1 ZINC000335862749 344034909 /nfs/dbraw/zinc/03/49/09/344034909.db2.gz XOZDPWCDMVZFKU-GFCCVEGCSA-N 2 1 228.405 1.910 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCSCC1 ZINC000335862749 344034910 /nfs/dbraw/zinc/03/49/10/344034910.db2.gz XOZDPWCDMVZFKU-GFCCVEGCSA-N 2 1 228.405 1.910 20 0 BDADMP Cc1cc(C[NH+]2CCC([NH3+])CC2)ccn1 ZINC000391260505 343639277 /nfs/dbraw/zinc/63/92/77/343639277.db2.gz UHBXSKWXFQTFSR-UHFFFAOYSA-N 2 1 205.305 1.313 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn[nH]c1 ZINC000309078813 346960759 /nfs/dbraw/zinc/96/07/59/346960759.db2.gz NKLRMVUIMSBFTC-UHFFFAOYSA-N 2 1 210.325 1.230 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn[nH]c1 ZINC000309078813 346960762 /nfs/dbraw/zinc/96/07/62/346960762.db2.gz NKLRMVUIMSBFTC-UHFFFAOYSA-N 2 1 210.325 1.230 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000187879663 259370702 /nfs/dbraw/zinc/37/07/02/259370702.db2.gz QKULVUDYRQDTFB-RNJOBUHISA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000187879663 259370703 /nfs/dbraw/zinc/37/07/03/259370703.db2.gz QKULVUDYRQDTFB-RNJOBUHISA-N 2 1 226.364 1.362 20 0 BDADMP c1nc(CN2CCC[N@H+](C3CCCC3)CC2)c[nH]1 ZINC000179770196 346996111 /nfs/dbraw/zinc/99/61/11/346996111.db2.gz HLKXQQGLFSKBLZ-UHFFFAOYSA-N 2 1 248.374 1.860 20 0 BDADMP c1ncc(CN2CCC[N@@H+](C3CCCC3)CC2)[nH]1 ZINC000179770196 346996113 /nfs/dbraw/zinc/99/61/13/346996113.db2.gz HLKXQQGLFSKBLZ-UHFFFAOYSA-N 2 1 248.374 1.860 20 0 BDADMP c1ncc(CN2CCC[N@H+](C3CCCC3)CC2)[nH]1 ZINC000179770196 346996115 /nfs/dbraw/zinc/99/61/15/346996115.db2.gz HLKXQQGLFSKBLZ-UHFFFAOYSA-N 2 1 248.374 1.860 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)CCO1 ZINC000401866965 343916429 /nfs/dbraw/zinc/91/64/29/343916429.db2.gz IDIMYNOMYPLQHP-YPMHNXCESA-N 2 1 237.347 1.510 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)CCO1 ZINC000401866962 343916567 /nfs/dbraw/zinc/91/65/67/343916567.db2.gz IDIMYNOMYPLQHP-WCQYABFASA-N 2 1 237.347 1.510 20 0 BDADMP CCc1[nH+]ccn1C[C@@H](O)C[N@H+](C)C(C)C ZINC000381100253 343973437 /nfs/dbraw/zinc/97/34/37/343973437.db2.gz XOXDJZUYMAHHRF-NSHDSACASA-N 2 1 225.336 1.147 20 0 BDADMP CCc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381100253 343973441 /nfs/dbraw/zinc/97/34/41/343973441.db2.gz XOXDJZUYMAHHRF-NSHDSACASA-N 2 1 225.336 1.147 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1(C)COC1 ZINC000625791559 344075581 /nfs/dbraw/zinc/07/55/81/344075581.db2.gz NHRGLEWWHGYBLR-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1(C)COC1 ZINC000625791559 344075582 /nfs/dbraw/zinc/07/55/82/344075582.db2.gz NHRGLEWWHGYBLR-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1(C)COC1 ZINC000625791559 344075584 /nfs/dbraw/zinc/07/55/84/344075584.db2.gz NHRGLEWWHGYBLR-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[C@@H](CN[C@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000634733433 344113098 /nfs/dbraw/zinc/11/30/98/344113098.db2.gz FRKNAIIMWKJQFY-RQJABVFESA-N 2 1 237.391 1.106 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000634733513 344113324 /nfs/dbraw/zinc/11/33/24/344113324.db2.gz HEIWQUCYOLASRA-XQQFMLRXSA-N 2 1 239.407 1.624 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000634733774 344113990 /nfs/dbraw/zinc/11/39/90/344113990.db2.gz NMMCSQWLUKYSCJ-LBPRGKRZSA-N 3 1 225.380 1.106 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000384919921 344233093 /nfs/dbraw/zinc/23/30/93/344233093.db2.gz FBVAIEZPPKIZMK-GJZGRUSLSA-N 2 1 245.370 1.951 20 0 BDADMP CN(CCC[NH3+])CC[C@@H]1CCCC[N@H+]1C ZINC000133203993 344315201 /nfs/dbraw/zinc/31/52/01/344315201.db2.gz RLIPGTAKBATFJH-LBPRGKRZSA-N 2 1 213.369 1.141 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000400115924 344320600 /nfs/dbraw/zinc/32/06/00/344320600.db2.gz JOSINHBWJIQZGV-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000600709087 344360936 /nfs/dbraw/zinc/36/09/36/344360936.db2.gz ODXITQHHEAMVCL-CYBMUJFWSA-N 2 1 240.347 1.015 20 0 BDADMP [NH3+]CC[C@H]1CCCCN1c1[nH+]cnc2[nH]ccc21 ZINC000634809025 344393559 /nfs/dbraw/zinc/39/35/59/344393559.db2.gz IWDORRHICYDSNG-SNVBAGLBSA-N 2 1 245.330 1.666 20 0 BDADMP CSCCCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380972193 344462185 /nfs/dbraw/zinc/46/21/85/344462185.db2.gz ATCJLSRDFJRYAX-GFCCVEGCSA-N 2 1 246.420 1.174 20 0 BDADMP CSCCCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380972193 344462186 /nfs/dbraw/zinc/46/21/86/344462186.db2.gz ATCJLSRDFJRYAX-GFCCVEGCSA-N 2 1 246.420 1.174 20 0 BDADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000158322472 344597242 /nfs/dbraw/zinc/59/72/42/344597242.db2.gz DETMWTLOAXXWER-ZDUSSCGKSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000158322472 344597243 /nfs/dbraw/zinc/59/72/43/344597243.db2.gz DETMWTLOAXXWER-ZDUSSCGKSA-N 2 1 249.358 1.794 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)nc2)CC[C@@H]1[NH3+] ZINC000158334364 344600719 /nfs/dbraw/zinc/60/07/19/344600719.db2.gz ZABYCWOVNXUDTG-OLZOCXBDSA-N 2 1 249.358 1.649 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)CC[C@@H]1[NH3+] ZINC000158334364 344600721 /nfs/dbraw/zinc/60/07/21/344600721.db2.gz ZABYCWOVNXUDTG-OLZOCXBDSA-N 2 1 249.358 1.649 20 0 BDADMP CCCCOCC[NH+]1CCC([NH2+]C)CC1 ZINC000049261293 344601397 /nfs/dbraw/zinc/60/13/97/344601397.db2.gz FWQRDSIELMJLHX-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000158337054 344603756 /nfs/dbraw/zinc/60/37/56/344603756.db2.gz ZTARFLDYVOHEEG-ZYHUDNBSSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000158337054 344603758 /nfs/dbraw/zinc/60/37/58/344603758.db2.gz ZTARFLDYVOHEEG-ZYHUDNBSSA-N 2 1 235.331 1.259 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000127726567 192075562 /nfs/dbraw/zinc/07/55/62/192075562.db2.gz LJVZVUQDZNIGEK-AGIUHOORSA-N 2 1 224.348 1.382 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@]21C ZINC000626103492 344741136 /nfs/dbraw/zinc/74/11/36/344741136.db2.gz BVQVVBJWLYSBDX-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@]21C ZINC000626103492 344741139 /nfs/dbraw/zinc/74/11/39/344741139.db2.gz BVQVVBJWLYSBDX-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103492 344741142 /nfs/dbraw/zinc/74/11/42/344741142.db2.gz BVQVVBJWLYSBDX-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103492 344741144 /nfs/dbraw/zinc/74/11/44/344741144.db2.gz BVQVVBJWLYSBDX-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP OCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835925 344792711 /nfs/dbraw/zinc/79/27/11/344792711.db2.gz XVZWJOMOWVDSCF-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000574452555 344854729 /nfs/dbraw/zinc/85/47/29/344854729.db2.gz BVKAQDBITDJGSD-DGCLKSJQSA-N 3 1 225.380 1.045 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000634995627 345185190 /nfs/dbraw/zinc/18/51/90/345185190.db2.gz KWKBMERRGNDNBM-STQMWFEESA-N 3 1 227.396 1.197 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000634995447 345185306 /nfs/dbraw/zinc/18/53/06/345185306.db2.gz FFJWHVUYBSKJTQ-FRRDWIJNSA-N 3 1 227.396 1.134 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000634995447 345185308 /nfs/dbraw/zinc/18/53/08/345185308.db2.gz FFJWHVUYBSKJTQ-FRRDWIJNSA-N 3 1 227.396 1.134 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CC13CC(C1)C[NH2+]3)CC[NH2+]CC2 ZINC000634996347 345187627 /nfs/dbraw/zinc/18/76/27/345187627.db2.gz HMLQUJIBXMJLJO-OPFPJEHXSA-N 3 1 249.402 1.202 20 0 BDADMP C[C@H]1CC2(CN1CC13CC(C1)C[NH2+]3)CC[NH2+]CC2 ZINC000634996347 345187630 /nfs/dbraw/zinc/18/76/30/345187630.db2.gz HMLQUJIBXMJLJO-OPFPJEHXSA-N 2 1 249.402 1.202 20 0 BDADMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000157151850 345246897 /nfs/dbraw/zinc/24/68/97/345246897.db2.gz HTXFLXZLKOLJKG-NSHDSACASA-N 2 1 237.347 1.520 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000634993796 345191708 /nfs/dbraw/zinc/19/17/08/345191708.db2.gz GTYWKOVMWCMMAP-STQMWFEESA-N 2 1 227.396 1.278 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000634997667 345193131 /nfs/dbraw/zinc/19/31/31/345193131.db2.gz QEWXQWOXVFHYQF-AGIUHOORSA-N 3 1 225.380 1.031 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000634997667 345193135 /nfs/dbraw/zinc/19/31/35/345193135.db2.gz QEWXQWOXVFHYQF-AGIUHOORSA-N 3 1 225.380 1.031 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635003633 345206467 /nfs/dbraw/zinc/20/64/67/345206467.db2.gz BCSCFDHWBMKPTE-GUTXKFCHSA-N 3 1 249.402 1.662 20 0 BDADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635012264 345214191 /nfs/dbraw/zinc/21/41/91/345214191.db2.gz KEIQNPMIFRVRHJ-UAAUVISNSA-N 2 1 234.265 1.810 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635012509 345214267 /nfs/dbraw/zinc/21/42/67/345214267.db2.gz MUUZYTPJYHFCSS-CABCVRRESA-N 2 1 246.354 1.729 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008430 345216132 /nfs/dbraw/zinc/21/61/32/345216132.db2.gz UFMRDWNOASOIII-SDDRHHMPSA-N 3 1 227.396 1.480 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)CC2)[C@H](C)C1 ZINC000090799983 345576055 /nfs/dbraw/zinc/57/60/55/345576055.db2.gz XXCKJDQECAIBHG-BLYZHGLHSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140055 345635372 /nfs/dbraw/zinc/63/53/72/345635372.db2.gz LUIKAXNLPMSKQV-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP Nc1cnccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000641707369 362615505 /nfs/dbraw/zinc/61/55/05/362615505.db2.gz KJJMMKWGQHCASL-NSHDSACASA-N 2 1 246.358 1.238 20 0 BDADMP Nc1cnccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000641707369 362615510 /nfs/dbraw/zinc/61/55/10/362615510.db2.gz KJJMMKWGQHCASL-NSHDSACASA-N 2 1 246.358 1.238 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000221909707 535003598 /nfs/dbraw/zinc/00/35/98/535003598.db2.gz CQUOTEQPPQICLN-KBPBESRZSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221909707 535003606 /nfs/dbraw/zinc/00/36/06/535003606.db2.gz CQUOTEQPPQICLN-KBPBESRZSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221909707 535003612 /nfs/dbraw/zinc/00/36/12/535003612.db2.gz CQUOTEQPPQICLN-KBPBESRZSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000215653053 345742502 /nfs/dbraw/zinc/74/25/02/345742502.db2.gz OXQRXLJMQJTJMO-MFKMUULPSA-N 2 1 222.307 1.881 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000159979767 345768136 /nfs/dbraw/zinc/76/81/36/345768136.db2.gz KIQNOLREJAFVAF-NEPJUHHUSA-N 2 1 224.348 1.118 20 0 BDADMP Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418991985 192091936 /nfs/dbraw/zinc/09/19/36/192091936.db2.gz FJZZYBHQENVMTH-OLZOCXBDSA-N 2 1 249.358 1.281 20 0 BDADMP C[C@@H]1C[C@H](NC2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000307707844 345926513 /nfs/dbraw/zinc/92/65/13/345926513.db2.gz ZVLDAQXNAAUMPE-OCCSQVGLSA-N 2 1 245.370 1.211 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000090320048 537956762 /nfs/dbraw/zinc/95/67/62/537956762.db2.gz KNBSTKBCAVUEEY-GASCZTMLSA-N 2 1 230.355 1.955 20 0 BDADMP C/C=C/C[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641749859 362671861 /nfs/dbraw/zinc/67/18/61/362671861.db2.gz YGVDQFAIPHEOPQ-IHVVCDCBSA-N 2 1 249.358 1.564 20 0 BDADMP Cc1c[nH]c(C[N@H+](C)CCCn2ccnc2)n1 ZINC000628280013 346290552 /nfs/dbraw/zinc/29/05/52/346290552.db2.gz LFAZRVGXIVAHJT-UHFFFAOYSA-N 2 1 233.319 1.437 20 0 BDADMP Cc1c[nH]c(C[N@@H+](C)CCCn2ccnc2)n1 ZINC000628280013 346290555 /nfs/dbraw/zinc/29/05/55/346290555.db2.gz LFAZRVGXIVAHJT-UHFFFAOYSA-N 2 1 233.319 1.437 20 0 BDADMP Cc1ncc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000628280700 346291654 /nfs/dbraw/zinc/29/16/54/346291654.db2.gz CQPFNVPLFQEDOO-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000628280700 346291659 /nfs/dbraw/zinc/29/16/59/346291659.db2.gz CQPFNVPLFQEDOO-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000628280700 346291661 /nfs/dbraw/zinc/29/16/61/346291661.db2.gz CQPFNVPLFQEDOO-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000628280700 346291666 /nfs/dbraw/zinc/29/16/66/346291666.db2.gz CQPFNVPLFQEDOO-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000628280700 346291668 /nfs/dbraw/zinc/29/16/68/346291668.db2.gz CQPFNVPLFQEDOO-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cccc(CC[C@@H](C)[NH2+]CC[NH3+])c1 ZINC000040500793 179062148 /nfs/dbraw/zinc/06/21/48/179062148.db2.gz GAAUCCBLCJSBFI-GFCCVEGCSA-N 2 1 206.333 1.864 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccccn1 ZINC000574910787 346409733 /nfs/dbraw/zinc/40/97/33/346409733.db2.gz IYHOUPWUNPAXQO-NSHDSACASA-N 2 1 207.321 1.732 20 0 BDADMP Cc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1C ZINC000313345291 179074958 /nfs/dbraw/zinc/07/49/58/179074958.db2.gz FJJOMIJDVIKWJB-HNNXBMFYSA-N 2 1 248.370 1.853 20 0 BDADMP Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000011891266 179081979 /nfs/dbraw/zinc/08/19/79/179081979.db2.gz BDSHSISUPPUKTE-CYBMUJFWSA-N 2 1 204.317 1.776 20 0 BDADMP CCCCCNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802765 362762736 /nfs/dbraw/zinc/76/27/36/362762736.db2.gz OMUMCECGVQEHKJ-MNOVXSKESA-N 2 1 241.379 1.008 20 0 BDADMP CC[N@H+]1CCCN(CC[NH2+]C(C)C)CC1 ZINC000373373191 346510334 /nfs/dbraw/zinc/51/03/34/346510334.db2.gz OAULRXXGRPLEMB-UHFFFAOYSA-N 2 1 213.369 1.012 20 0 BDADMP COC[C@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000187179900 346559244 /nfs/dbraw/zinc/55/92/44/346559244.db2.gz OWUAHAZMVRQQQT-GFCCVEGCSA-N 2 1 228.380 1.543 20 0 BDADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641807852 362766575 /nfs/dbraw/zinc/76/65/75/362766575.db2.gz SHDIKDOKUHPKGR-XWLWVQCSSA-N 2 1 241.379 1.005 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)CCOC)C1 ZINC000053201878 346619607 /nfs/dbraw/zinc/61/96/07/346619607.db2.gz PVZLYEMVZZXACM-QWRGUYRKSA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)CCOC)C1 ZINC000053201878 346619611 /nfs/dbraw/zinc/61/96/11/346619611.db2.gz PVZLYEMVZZXACM-QWRGUYRKSA-N 2 1 200.326 1.095 20 0 BDADMP C[C@@]1(C[NH+]2CCSCC2)CCC[NH2+]C1 ZINC000062861844 347197712 /nfs/dbraw/zinc/19/77/12/347197712.db2.gz ZRDSOZSVDOFNMW-LLVKDONJSA-N 2 1 214.378 1.425 20 0 BDADMP CCSCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334914 347228579 /nfs/dbraw/zinc/22/85/79/347228579.db2.gz ONRFIUSZZJFEGQ-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP CCSCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334914 347228582 /nfs/dbraw/zinc/22/85/82/347228582.db2.gz ONRFIUSZZJFEGQ-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP CC(C)C[N@@H+](C[C@@H](O)CN(C)C1CC1)C(C)C ZINC000310500603 347290654 /nfs/dbraw/zinc/29/06/54/347290654.db2.gz MCFMHQQSQVBDMI-AWEZNQCLSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000310500603 347290655 /nfs/dbraw/zinc/29/06/55/347290655.db2.gz MCFMHQQSQVBDMI-AWEZNQCLSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000310500603 347290657 /nfs/dbraw/zinc/29/06/57/347290657.db2.gz MCFMHQQSQVBDMI-AWEZNQCLSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000310500603 347290659 /nfs/dbraw/zinc/29/06/59/347290659.db2.gz MCFMHQQSQVBDMI-AWEZNQCLSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000310500603 347290660 /nfs/dbraw/zinc/29/06/60/347290660.db2.gz MCFMHQQSQVBDMI-AWEZNQCLSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)C2CC2)CC1 ZINC000388244377 347261374 /nfs/dbraw/zinc/26/13/74/347261374.db2.gz SASNVKORVBKIHR-SMDDNHRTSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccnc(N)c3)C2)C1 ZINC000310880188 347318117 /nfs/dbraw/zinc/31/81/17/347318117.db2.gz WIJYXKSWQMNJMM-AWEZNQCLSA-N 2 1 246.358 1.191 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccnc(N)c3)C2)C1 ZINC000310880188 347318121 /nfs/dbraw/zinc/31/81/21/347318121.db2.gz WIJYXKSWQMNJMM-AWEZNQCLSA-N 2 1 246.358 1.191 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccnc(N)c3)C2)C1 ZINC000310880188 347318128 /nfs/dbraw/zinc/31/81/28/347318128.db2.gz WIJYXKSWQMNJMM-AWEZNQCLSA-N 2 1 246.358 1.191 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccnc(N)c3)C2)C1 ZINC000310880188 347318132 /nfs/dbraw/zinc/31/81/32/347318132.db2.gz WIJYXKSWQMNJMM-AWEZNQCLSA-N 2 1 246.358 1.191 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000388445326 347408829 /nfs/dbraw/zinc/40/88/29/347408829.db2.gz HVNBAXAPSFVLJJ-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP COC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCCC1 ZINC000396634483 362826527 /nfs/dbraw/zinc/82/65/27/362826527.db2.gz ZAZKAIDGFQMLIV-VXGBXAGGSA-N 2 1 226.364 1.676 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCc1ccccc1 ZINC000019834744 347360524 /nfs/dbraw/zinc/36/05/24/347360524.db2.gz UAVVEFHZIGDBJF-UHFFFAOYSA-N 2 1 206.333 1.900 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)C1CC1 ZINC000571424798 323144590 /nfs/dbraw/zinc/14/45/90/323144590.db2.gz LUABRHSPJXNJMX-SNVBAGLBSA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)C1CC1 ZINC000571424798 323144591 /nfs/dbraw/zinc/14/45/91/323144591.db2.gz LUABRHSPJXNJMX-SNVBAGLBSA-N 2 1 207.321 1.922 20 0 BDADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109754617 347465612 /nfs/dbraw/zinc/46/56/12/347465612.db2.gz BYXYDCPPFBAAOF-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000591272484 347636746 /nfs/dbraw/zinc/63/67/46/347636746.db2.gz UVPUANLOZQYZTQ-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP CCCC[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000308454120 347669052 /nfs/dbraw/zinc/66/90/52/347669052.db2.gz AVFPVQYEKNXFBW-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP CCCC[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000308454120 347669057 /nfs/dbraw/zinc/66/90/57/347669057.db2.gz AVFPVQYEKNXFBW-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP CCCC[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000308454120 347669058 /nfs/dbraw/zinc/66/90/58/347669058.db2.gz AVFPVQYEKNXFBW-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP CCCC[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000308454120 347669062 /nfs/dbraw/zinc/66/90/62/347669062.db2.gz AVFPVQYEKNXFBW-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP COC(=O)CC[N@@H+](CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000592493572 347787804 /nfs/dbraw/zinc/78/78/04/347787804.db2.gz VPRBKIGAPCCIIG-LBPRGKRZSA-N 2 1 242.363 1.117 20 0 BDADMP [NH3+]Cc1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000577395146 365944518 /nfs/dbraw/zinc/94/45/18/365944518.db2.gz JSBSTNVESPKSNJ-CQSZACIVSA-N 2 1 233.359 1.377 20 0 BDADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000357027190 179334839 /nfs/dbraw/zinc/33/48/39/179334839.db2.gz KKDDLPBBDZANPK-ZDUSSCGKSA-N 2 1 236.359 1.963 20 0 BDADMP Cc1ccccc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358248991 179337435 /nfs/dbraw/zinc/33/74/35/179337435.db2.gz JRSXIGRDIZXTQY-DZGCQCFKSA-N 2 1 248.370 1.712 20 0 BDADMP Cc1ccccc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358248991 179337438 /nfs/dbraw/zinc/33/74/38/179337438.db2.gz JRSXIGRDIZXTQY-DZGCQCFKSA-N 2 1 248.370 1.712 20 0 BDADMP CSCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594490837 348062771 /nfs/dbraw/zinc/06/27/71/348062771.db2.gz SFXNNOKKQRANPN-GFCCVEGCSA-N 2 1 244.404 1.192 20 0 BDADMP Cc1cccn2c(C[N@@H+]3CC[C@H](C[NH3+])C3)cnc12 ZINC000336622484 179353640 /nfs/dbraw/zinc/35/36/40/179353640.db2.gz RYYUHPRZNNHXKZ-GFCCVEGCSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1cccn2c(C[N@H+]3CC[C@H](C[NH3+])C3)cnc12 ZINC000336622484 179353642 /nfs/dbraw/zinc/35/36/42/179353642.db2.gz RYYUHPRZNNHXKZ-GFCCVEGCSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000161854354 179372740 /nfs/dbraw/zinc/37/27/40/179372740.db2.gz TWCMTKUYPFKWMR-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000203733135 348208653 /nfs/dbraw/zinc/20/86/53/348208653.db2.gz PKIUNVJQWHQCOA-ZDUSSCGKSA-N 2 1 222.332 1.768 20 0 BDADMP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C(=O)OC ZINC000419302243 192120224 /nfs/dbraw/zinc/12/02/24/192120224.db2.gz POFIJVRQYJCCTP-GFCCVEGCSA-N 2 1 242.363 1.402 20 0 BDADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C(=O)OC ZINC000419302243 192120225 /nfs/dbraw/zinc/12/02/25/192120225.db2.gz POFIJVRQYJCCTP-GFCCVEGCSA-N 2 1 242.363 1.402 20 0 BDADMP CC[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000419316540 192121535 /nfs/dbraw/zinc/12/15/35/192121535.db2.gz XAYVMLLRISSJAA-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CCc1cc(N[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000045955241 490158321 /nfs/dbraw/zinc/15/83/21/490158321.db2.gz OOPYXTOWOFAJHQ-NSHDSACASA-N 2 1 220.320 1.511 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1(C)C ZINC000623497129 362920727 /nfs/dbraw/zinc/92/07/27/362920727.db2.gz YEHJCAWXROBTPW-SDDRHHMPSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H]1CSCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251710511 362900700 /nfs/dbraw/zinc/90/07/00/362900700.db2.gz JJIOIRDRJFWAGN-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503780 362927381 /nfs/dbraw/zinc/92/73/81/362927381.db2.gz NRVFHLGCOVXZSB-GHMZBOCLSA-N 2 1 214.353 1.484 20 0 BDADMP CCSC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000596654224 348607932 /nfs/dbraw/zinc/60/79/32/348607932.db2.gz YUDDCIVKAANQCR-MNOVXSKESA-N 2 1 228.405 1.860 20 0 BDADMP Cc1cc(N2CCC(CC[NH3+])CC2)nc(C)[nH+]1 ZINC000053705629 348691262 /nfs/dbraw/zinc/69/12/62/348691262.db2.gz BYOWDXWHMQILBO-UHFFFAOYSA-N 2 1 234.347 1.659 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CCC([NH3+])CC1 ZINC000420129645 192168806 /nfs/dbraw/zinc/16/88/06/192168806.db2.gz XADVBTMWLDLICE-UHFFFAOYSA-N 2 1 249.314 1.186 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000220536193 490226057 /nfs/dbraw/zinc/22/60/57/490226057.db2.gz PGXFIZRRFVFRKY-ONGXEEELSA-N 2 1 214.378 1.564 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000599292533 349148959 /nfs/dbraw/zinc/14/89/59/349148959.db2.gz GAJLVKKIEDMFPW-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248373571 349126153 /nfs/dbraw/zinc/12/61/53/349126153.db2.gz JUPHVTGDGNHSMW-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250488063 349170853 /nfs/dbraw/zinc/17/08/53/349170853.db2.gz FLHPXKHEBATCSN-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000252140383 349196879 /nfs/dbraw/zinc/19/68/79/349196879.db2.gz NDHWLXADEJOHJQ-MGPQQGTHSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524714 362945190 /nfs/dbraw/zinc/94/51/90/362945190.db2.gz GHLHKUMZUUDDLJ-CHWSQXEVSA-N 2 1 242.407 1.713 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309061718 349428297 /nfs/dbraw/zinc/42/82/97/349428297.db2.gz XAZJUHVDBRAELT-NOOOWODRSA-N 2 1 212.337 1.236 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309061718 349428301 /nfs/dbraw/zinc/42/83/01/349428301.db2.gz XAZJUHVDBRAELT-NOOOWODRSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CO1 ZINC000402208861 350044029 /nfs/dbraw/zinc/04/40/29/350044029.db2.gz IXEAMSKMEXGYGD-CKIKVBCHSA-N 2 1 226.364 1.482 20 0 BDADMP Cn1ccnc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219257451 350118481 /nfs/dbraw/zinc/11/84/81/350118481.db2.gz GIHZVYDSBPVKRW-RYUDHWBXSA-N 2 1 234.347 1.137 20 0 BDADMP C[C@@H]1C[C@@H](NCCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000132005554 191021837 /nfs/dbraw/zinc/02/18/37/191021837.db2.gz JKVYEHQRRVTDML-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP COCC(C)(C)[NH2+]CCCc1c[nH+]cn1C ZINC000314021636 350168267 /nfs/dbraw/zinc/16/82/67/350168267.db2.gz SJHBUFRLHODUMH-UHFFFAOYSA-N 2 1 225.336 1.367 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000309192798 350167428 /nfs/dbraw/zinc/16/74/28/350167428.db2.gz CRDOUTMHBCPPGP-CHWSQXEVSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN(C)C1 ZINC000309192798 350167430 /nfs/dbraw/zinc/16/74/30/350167430.db2.gz CRDOUTMHBCPPGP-CHWSQXEVSA-N 2 1 227.396 1.435 20 0 BDADMP COCC[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309585076 490358493 /nfs/dbraw/zinc/35/84/93/490358493.db2.gz RXXBEEVOSSVLQI-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCOC1 ZINC000334278662 538063919 /nfs/dbraw/zinc/06/39/19/538063919.db2.gz POMUBUSWROSZCU-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314968486 350175073 /nfs/dbraw/zinc/17/50/73/350175073.db2.gz WIDMJUDGMDUUAO-WCQYABFASA-N 2 1 237.347 1.367 20 0 BDADMP CC(C)C[C@](C)(C[NH3+])NC(=O)C[N@@H+](C)C(C)C ZINC000236681031 191060790 /nfs/dbraw/zinc/06/07/90/191060790.db2.gz KMTWDCVQRFAJBM-CYBMUJFWSA-N 2 1 243.395 1.206 20 0 BDADMP Cc1n[nH]cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000309589658 490358339 /nfs/dbraw/zinc/35/83/39/490358339.db2.gz YLYANBBBMGLIAA-UHFFFAOYSA-N 2 1 208.309 1.031 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H](C)C[NH+](C)C)s1 ZINC000291743902 180151639 /nfs/dbraw/zinc/15/16/39/180151639.db2.gz PGDFXJVCBVJWON-VIFPVBQESA-N 2 1 227.377 1.739 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000049538853 180152074 /nfs/dbraw/zinc/15/20/74/180152074.db2.gz VKKOHOUYXKOUFW-JTQLQIEISA-N 2 1 225.361 1.541 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)C1 ZINC000270689891 180239525 /nfs/dbraw/zinc/23/95/25/180239525.db2.gz WBFYZFJKWLEGGH-LLVKDONJSA-N 2 1 207.321 1.923 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)C1 ZINC000270689891 180239528 /nfs/dbraw/zinc/23/95/28/180239528.db2.gz WBFYZFJKWLEGGH-LLVKDONJSA-N 2 1 207.321 1.923 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](CCO)CC1CC1 ZINC000336682212 180239599 /nfs/dbraw/zinc/23/95/99/180239599.db2.gz CZZUVUYBKLVRGE-UHFFFAOYSA-N 2 1 237.347 1.286 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)CC1CC1 ZINC000336682212 180239600 /nfs/dbraw/zinc/23/96/00/180239600.db2.gz CZZUVUYBKLVRGE-UHFFFAOYSA-N 2 1 237.347 1.286 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363468355 180234805 /nfs/dbraw/zinc/23/48/05/180234805.db2.gz LRFSDJLOKPZBFX-OKILXGFUSA-N 2 1 249.358 1.835 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363468355 180234807 /nfs/dbraw/zinc/23/48/07/180234807.db2.gz LRFSDJLOKPZBFX-OKILXGFUSA-N 2 1 249.358 1.835 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC[C@@H](C)O ZINC000336669882 180236125 /nfs/dbraw/zinc/23/61/25/180236125.db2.gz ATFMQSUBIVLOLJ-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC[C@@H](C)O ZINC000336669882 180236128 /nfs/dbraw/zinc/23/61/28/180236128.db2.gz ATFMQSUBIVLOLJ-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)C(C)C ZINC000336710588 180237411 /nfs/dbraw/zinc/23/74/11/180237411.db2.gz PANUEKMWTGSHGI-CYBMUJFWSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)C(C)C ZINC000336710588 180237413 /nfs/dbraw/zinc/23/74/13/180237413.db2.gz PANUEKMWTGSHGI-CYBMUJFWSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000285421644 180247268 /nfs/dbraw/zinc/24/72/68/180247268.db2.gz BWCXOFJKVXNUKV-CMPLNLGQSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCSC1 ZINC000309091038 180248336 /nfs/dbraw/zinc/24/83/36/180248336.db2.gz CEBKMTPKOKCGQD-NSHDSACASA-N 2 1 225.361 1.677 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000336686454 180249853 /nfs/dbraw/zinc/24/98/53/180249853.db2.gz ANFUHWSZZGQWNQ-CYBMUJFWSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000336686454 180249856 /nfs/dbraw/zinc/24/98/56/180249856.db2.gz ANFUHWSZZGQWNQ-CYBMUJFWSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)C(C)(C)O ZINC000295175818 180252409 /nfs/dbraw/zinc/25/24/09/180252409.db2.gz OZFZSLVWHMSDIM-SNVBAGLBSA-N 2 1 225.336 1.283 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)C(C)(C)O ZINC000295175818 180252411 /nfs/dbraw/zinc/25/24/11/180252411.db2.gz OZFZSLVWHMSDIM-SNVBAGLBSA-N 2 1 225.336 1.283 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000336719462 180252423 /nfs/dbraw/zinc/25/24/23/180252423.db2.gz XMIAJLSXNAICRO-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCCCO1 ZINC000336719462 180252425 /nfs/dbraw/zinc/25/24/25/180252425.db2.gz XMIAJLSXNAICRO-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccn1 ZINC000295056447 180252924 /nfs/dbraw/zinc/25/29/24/180252924.db2.gz BMESBPABLLONFX-UHFFFAOYSA-N 2 1 230.315 1.719 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccn1 ZINC000295056447 180252929 /nfs/dbraw/zinc/25/29/29/180252929.db2.gz BMESBPABLLONFX-UHFFFAOYSA-N 2 1 230.315 1.719 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000330516475 180242679 /nfs/dbraw/zinc/24/26/79/180242679.db2.gz INQUIWCWQVJOCK-NSHDSACASA-N 2 1 236.319 1.581 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000330516475 180242681 /nfs/dbraw/zinc/24/26/81/180242681.db2.gz INQUIWCWQVJOCK-NSHDSACASA-N 2 1 236.319 1.581 20 0 BDADMP [NH3+]CCC[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000334873312 538078701 /nfs/dbraw/zinc/07/87/01/538078701.db2.gz HELCVVKDFLGPCJ-MPEURRAXSA-N 2 1 208.349 1.846 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000223060108 180262717 /nfs/dbraw/zinc/26/27/17/180262717.db2.gz BKABYMFYOFVAMH-PWSUYJOCSA-N 2 1 223.320 1.349 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCOC1 ZINC000088702333 180265357 /nfs/dbraw/zinc/26/53/57/180265357.db2.gz RTOROFOWIWLRBW-JQWIXIFHSA-N 2 1 223.320 1.206 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427849523 191094549 /nfs/dbraw/zinc/09/45/49/191094549.db2.gz NOGOZVUANUUUEZ-UPJWGTAASA-N 2 1 248.374 1.128 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427849523 191094552 /nfs/dbraw/zinc/09/45/52/191094552.db2.gz NOGOZVUANUUUEZ-UPJWGTAASA-N 2 1 248.374 1.128 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623535060 362953505 /nfs/dbraw/zinc/95/35/05/362953505.db2.gz LAPRSYQWWWNMRC-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000325109078 350313993 /nfs/dbraw/zinc/31/39/93/350313993.db2.gz YWDTZKXAJAQAPG-ZIAGYGMSSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227068148 180309488 /nfs/dbraw/zinc/30/94/88/180309488.db2.gz BLRJUSNEZJTSAU-ONGXEEELSA-N 2 1 239.388 1.663 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229064529 180318229 /nfs/dbraw/zinc/31/82/29/180318229.db2.gz CHWNPMBPPHIMIJ-ONGXEEELSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000070838284 180321348 /nfs/dbraw/zinc/32/13/48/180321348.db2.gz KXRVKQLMOJOZMH-GFCCVEGCSA-N 2 1 239.388 1.931 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000328533470 350402210 /nfs/dbraw/zinc/40/22/10/350402210.db2.gz YZVWXVLQSKAWSK-MCIONIFRSA-N 2 1 242.407 1.843 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)O)CC1 ZINC000384719195 350491000 /nfs/dbraw/zinc/49/10/00/350491000.db2.gz GSDLHNRYLIEOQC-NSHDSACASA-N 2 1 228.380 1.610 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000163346130 350515705 /nfs/dbraw/zinc/51/57/05/350515705.db2.gz OIHFGFOSZOLZFG-VXGBXAGGSA-N 2 1 226.364 1.220 20 0 BDADMP COCCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000062031638 350537055 /nfs/dbraw/zinc/53/70/55/350537055.db2.gz NEQDKEDJOYSCHY-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251317834 535150048 /nfs/dbraw/zinc/15/00/48/535150048.db2.gz LNSQVRFMNHHJOJ-HZSPNIEDSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251317834 535150054 /nfs/dbraw/zinc/15/00/54/535150054.db2.gz LNSQVRFMNHHJOJ-HZSPNIEDSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000251317834 535150056 /nfs/dbraw/zinc/15/00/56/535150056.db2.gz LNSQVRFMNHHJOJ-HZSPNIEDSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000338789800 350712896 /nfs/dbraw/zinc/71/28/96/350712896.db2.gz IFXHDRKPGLTLDB-KGLIPLIRSA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000339008855 350726913 /nfs/dbraw/zinc/72/69/13/350726913.db2.gz DGOWEHAUWNEDRS-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000339008855 350726916 /nfs/dbraw/zinc/72/69/16/350726916.db2.gz DGOWEHAUWNEDRS-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000339008855 350726918 /nfs/dbraw/zinc/72/69/18/350726918.db2.gz DGOWEHAUWNEDRS-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000251908509 362982748 /nfs/dbraw/zinc/98/27/48/362982748.db2.gz TVAHIZMSUVJJAR-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCC2)CC1(C)C ZINC000623563429 362987583 /nfs/dbraw/zinc/98/75/83/362987583.db2.gz XZCJUMBOPHDCLZ-STQMWFEESA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CSCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251761520 350902611 /nfs/dbraw/zinc/90/26/11/350902611.db2.gz LWRKTBUTIHNXKT-ZJUUUORDSA-N 2 1 200.351 1.033 20 0 BDADMP CCCC[N@@H+](C)CC1CC[NH+](CCCO)CC1 ZINC000052209645 350939631 /nfs/dbraw/zinc/93/96/31/350939631.db2.gz MAILRNFSRWBBAD-UHFFFAOYSA-N 2 1 242.407 1.813 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000252690418 350913780 /nfs/dbraw/zinc/91/37/80/350913780.db2.gz UXQJLXYQKHBJLG-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)C2CCC2)CC1(C)C ZINC000623563427 362987205 /nfs/dbraw/zinc/98/72/05/362987205.db2.gz XZCJUMBOPHDCLZ-OLZOCXBDSA-N 2 1 240.391 1.610 20 0 BDADMP CN1CC(C[N@@H+](C)Cc2cccc3n[nH]cc32)C1 ZINC000628338584 351285355 /nfs/dbraw/zinc/28/53/55/351285355.db2.gz OVEVTJSHBIYVSK-UHFFFAOYSA-N 2 1 244.342 1.556 20 0 BDADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000637800573 351636365 /nfs/dbraw/zinc/63/63/65/351636365.db2.gz FQZBZVKERZOUET-ZDUSSCGKSA-N 2 1 247.342 1.568 20 0 BDADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000637800573 351636368 /nfs/dbraw/zinc/63/63/68/351636368.db2.gz FQZBZVKERZOUET-ZDUSSCGKSA-N 2 1 247.342 1.568 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nc1 ZINC000088135754 351624526 /nfs/dbraw/zinc/62/45/26/351624526.db2.gz DXJIXRIVJNPHTI-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)nc1 ZINC000088135754 351624530 /nfs/dbraw/zinc/62/45/30/351624530.db2.gz DXJIXRIVJNPHTI-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)cn2)C1 ZINC000088135777 351626438 /nfs/dbraw/zinc/62/64/38/351626438.db2.gz XTJJQFAQGVPZFH-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000088135777 351626443 /nfs/dbraw/zinc/62/64/43/351626443.db2.gz XTJJQFAQGVPZFH-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)cn2)C1 ZINC000088135775 351626473 /nfs/dbraw/zinc/62/64/73/351626473.db2.gz XTJJQFAQGVPZFH-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000088135775 351626476 /nfs/dbraw/zinc/62/64/76/351626476.db2.gz XTJJQFAQGVPZFH-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])nc1 ZINC000088135825 351627114 /nfs/dbraw/zinc/62/71/14/351627114.db2.gz UTWJBELPPPAULN-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])nc1 ZINC000088135825 351627119 /nfs/dbraw/zinc/62/71/19/351627119.db2.gz UTWJBELPPPAULN-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000577839676 366078742 /nfs/dbraw/zinc/07/87/42/366078742.db2.gz GPZASPUGJLPZPT-OLZOCXBDSA-N 2 1 225.380 1.236 20 0 BDADMP C[N@@H+](CCC[C@H]1CCO1)C[C@H]1CCC[NH+](C)C1 ZINC000637930626 351807044 /nfs/dbraw/zinc/80/70/44/351807044.db2.gz QKRGUOSASIKLBA-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCC[C@H]1CCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000637930626 351807047 /nfs/dbraw/zinc/80/70/47/351807047.db2.gz QKRGUOSASIKLBA-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCC[C@H]1CCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930626 351807048 /nfs/dbraw/zinc/80/70/48/351807048.db2.gz QKRGUOSASIKLBA-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@](C)(C[N@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638077620 351950909 /nfs/dbraw/zinc/95/09/09/351950909.db2.gz VTFWXGXZSBTGTF-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC[C@H](C)[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088433 351965211 /nfs/dbraw/zinc/96/52/11/351965211.db2.gz CWNSUHKTJCPXOB-FQUUOJAGSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H](C)[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088433 351965213 /nfs/dbraw/zinc/96/52/13/351965213.db2.gz CWNSUHKTJCPXOB-FQUUOJAGSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H](C)[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088434 351965679 /nfs/dbraw/zinc/96/56/79/351965679.db2.gz CWNSUHKTJCPXOB-IGQOVBAYSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H](C)[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088434 351965683 /nfs/dbraw/zinc/96/56/83/351965683.db2.gz CWNSUHKTJCPXOB-IGQOVBAYSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638304154 352133512 /nfs/dbraw/zinc/13/35/12/352133512.db2.gz MAYRFHXJJPIKDG-SCZZXKLOSA-N 2 1 218.291 1.714 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C[C@H]1CCO1 ZINC000638368426 352179529 /nfs/dbraw/zinc/17/95/29/352179529.db2.gz LDVUADXCULDTMF-BFHYXJOUSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CCC[C@H]1CCO1 ZINC000638385659 352194489 /nfs/dbraw/zinc/19/44/89/352194489.db2.gz IGHMORDDEDRPRI-ZDUSSCGKSA-N 2 1 237.347 1.740 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCCO1 ZINC000252157888 363181330 /nfs/dbraw/zinc/18/13/30/363181330.db2.gz PKPAUSDVZPNXOB-IJLUTSLNSA-N 2 1 212.337 1.367 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336741468 352379275 /nfs/dbraw/zinc/37/92/75/352379275.db2.gz RCTCEVZWTWHTPQ-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336741468 352379276 /nfs/dbraw/zinc/37/92/76/352379276.db2.gz RCTCEVZWTWHTPQ-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638588776 352419922 /nfs/dbraw/zinc/41/99/22/352419922.db2.gz NNDMZKJBMHYNQB-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000638589374 352420862 /nfs/dbraw/zinc/42/08/62/352420862.db2.gz TVOPCWFJASOHMK-QWHCGFSZSA-N 2 1 248.374 1.339 20 0 BDADMP CCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415013991 352550546 /nfs/dbraw/zinc/55/05/46/352550546.db2.gz WDJJWKZCGGWQHL-WDEREUQCSA-N 2 1 222.332 1.911 20 0 BDADMP C[C@H]1CC(C)(C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000412048489 191244296 /nfs/dbraw/zinc/24/42/96/191244296.db2.gz UVPJCSAURYOSLJ-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000412048489 191244299 /nfs/dbraw/zinc/24/42/99/191244299.db2.gz UVPJCSAURYOSLJ-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1CC(C)(C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000412048489 191244302 /nfs/dbraw/zinc/24/43/02/191244302.db2.gz UVPJCSAURYOSLJ-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1CC(C)(C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000412048489 191244305 /nfs/dbraw/zinc/24/43/05/191244305.db2.gz UVPJCSAURYOSLJ-WCQYABFASA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000412048488 191242608 /nfs/dbraw/zinc/24/26/08/191242608.db2.gz UVPJCSAURYOSLJ-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000412048488 191242610 /nfs/dbraw/zinc/24/26/10/191242610.db2.gz UVPJCSAURYOSLJ-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC(C)(C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000412048488 191242613 /nfs/dbraw/zinc/24/26/13/191242613.db2.gz UVPJCSAURYOSLJ-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC(C)(C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000412048488 191242615 /nfs/dbraw/zinc/24/26/15/191242615.db2.gz UVPJCSAURYOSLJ-DGCLKSJQSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CSC2)CC[N@@H+]1C ZINC000307677798 352755045 /nfs/dbraw/zinc/75/50/45/352755045.db2.gz MLDNZPWJOGVGTH-IUCAKERBSA-N 2 1 200.351 1.174 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CSC2)CC[N@H+]1C ZINC000307677798 352755046 /nfs/dbraw/zinc/75/50/46/352755046.db2.gz MLDNZPWJOGVGTH-IUCAKERBSA-N 2 1 200.351 1.174 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000412079251 191252588 /nfs/dbraw/zinc/25/25/88/191252588.db2.gz LCEIAKSSWIXSJR-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000412079251 191252591 /nfs/dbraw/zinc/25/25/91/191252591.db2.gz LCEIAKSSWIXSJR-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000412079251 191252594 /nfs/dbraw/zinc/25/25/94/191252594.db2.gz LCEIAKSSWIXSJR-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334209162 352805410 /nfs/dbraw/zinc/80/54/10/352805410.db2.gz MPRBUBASFJETPY-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412099228 191259562 /nfs/dbraw/zinc/25/95/62/191259562.db2.gz WIJXMYQTSWCGPQ-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP C[C@H]1CN(C)C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000343034565 352941724 /nfs/dbraw/zinc/94/17/24/352941724.db2.gz NTKPLJQOETZULN-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CO[C@](C)(C[NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000638838066 353022661 /nfs/dbraw/zinc/02/26/61/353022661.db2.gz CKZJONAQAMMEEQ-CQSZACIVSA-N 2 1 238.375 1.653 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000261999450 535197946 /nfs/dbraw/zinc/19/79/46/535197946.db2.gz TYZUJCNRTNXARG-UHFFFAOYSA-N 2 1 222.336 1.326 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353687440 188235114 /nfs/dbraw/zinc/23/51/14/188235114.db2.gz ZYHZSWBNAJXMPT-QNSTZXKLSA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)C[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357075546 188239286 /nfs/dbraw/zinc/23/92/86/188239286.db2.gz NOJRGZQRAYVRTI-CYBMUJFWSA-N 2 1 228.380 1.720 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000357066939 188239738 /nfs/dbraw/zinc/23/97/38/188239738.db2.gz DBPSKAUOELSBQL-VXGBXAGGSA-N 2 1 244.404 1.322 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(C)(C)O)CC1 ZINC000360439749 188242827 /nfs/dbraw/zinc/24/28/27/188242827.db2.gz YWMCAQMMNOIUBL-UHFFFAOYSA-N 2 1 242.407 1.952 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cn1 ZINC000194349360 188259046 /nfs/dbraw/zinc/25/90/46/188259046.db2.gz CAICEVOGNHXKGE-LBPRGKRZSA-N 2 1 234.347 1.415 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cn1 ZINC000194349360 188259048 /nfs/dbraw/zinc/25/90/48/188259048.db2.gz CAICEVOGNHXKGE-LBPRGKRZSA-N 2 1 234.347 1.415 20 0 BDADMP Cc1n[nH]cc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038011101 188254799 /nfs/dbraw/zinc/25/47/99/188254799.db2.gz RQEMWBGDZQUIKE-YHWZYXNKSA-N 2 1 234.347 1.433 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038011101 188254801 /nfs/dbraw/zinc/25/48/01/188254801.db2.gz RQEMWBGDZQUIKE-YHWZYXNKSA-N 2 1 234.347 1.433 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038011101 188254803 /nfs/dbraw/zinc/25/48/03/188254803.db2.gz RQEMWBGDZQUIKE-YHWZYXNKSA-N 2 1 234.347 1.433 20 0 BDADMP Cc1n[nH]cc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000038011390 188255373 /nfs/dbraw/zinc/25/53/73/188255373.db2.gz DORGJFZYOVKMBS-OPQQBVKSSA-N 2 1 236.363 1.536 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000038011390 188255374 /nfs/dbraw/zinc/25/53/74/188255374.db2.gz DORGJFZYOVKMBS-OPQQBVKSSA-N 2 1 236.363 1.536 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CCC[NH3+] ZINC000336715435 188256307 /nfs/dbraw/zinc/25/63/07/188256307.db2.gz WPDHCBOQUAIVHU-GFCCVEGCSA-N 3 1 215.385 1.434 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnccn1 ZINC000268810890 188261624 /nfs/dbraw/zinc/26/16/24/188261624.db2.gz MAMCLQTXROZFFK-JTQLQIEISA-N 2 1 231.303 1.332 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccnn1C ZINC000278649336 188267480 /nfs/dbraw/zinc/26/74/80/188267480.db2.gz HYUCJOYCGVABQC-SNVBAGLBSA-N 2 1 233.319 1.276 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000234933175 188302515 /nfs/dbraw/zinc/30/25/15/188302515.db2.gz ICIDVDLVRTXACN-CQSZACIVSA-N 2 1 234.343 1.866 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cncc(Cl)c1 ZINC000307965383 353331590 /nfs/dbraw/zinc/33/15/90/353331590.db2.gz BJWAUGUCBZSYRU-UHFFFAOYSA-N 2 1 213.712 1.516 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cncc(Cl)c1 ZINC000307965383 353331592 /nfs/dbraw/zinc/33/15/92/353331592.db2.gz BJWAUGUCBZSYRU-UHFFFAOYSA-N 2 1 213.712 1.516 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000336646077 188339621 /nfs/dbraw/zinc/33/96/21/188339621.db2.gz AZWYWPQDWATZHL-PNESKVBLSA-N 2 1 228.380 1.608 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000336646077 188339623 /nfs/dbraw/zinc/33/96/23/188339623.db2.gz AZWYWPQDWATZHL-PNESKVBLSA-N 2 1 228.380 1.608 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000044533417 188325952 /nfs/dbraw/zinc/32/59/52/188325952.db2.gz PWYHPMKGXGSZBP-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP C[NH+](C)CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639063969 353374615 /nfs/dbraw/zinc/37/46/15/353374615.db2.gz ATCCADJHWITONA-NSHDSACASA-N 2 1 247.342 1.027 20 0 BDADMP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000085282067 538116015 /nfs/dbraw/zinc/11/60/15/538116015.db2.gz ZRJXRIQCPTXJSQ-GHMZBOCLSA-N 2 1 208.330 1.399 20 0 BDADMP Cc1nocc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000351401903 133969111 /nfs/dbraw/zinc/96/91/11/133969111.db2.gz UZMMJQHKCXMRFK-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H](CO)c1ccccc1 ZINC000276632850 188380623 /nfs/dbraw/zinc/38/06/23/188380623.db2.gz JQUCOZATHHDDRP-CQSZACIVSA-N 2 1 245.326 1.286 20 0 BDADMP CC(C)(N)c1noc(CN2CCCCCC2)n1 ZINC000043401986 188397246 /nfs/dbraw/zinc/39/72/46/188397246.db2.gz FUAUJAWQHZYCKU-UHFFFAOYSA-N 2 1 238.335 1.639 20 0 BDADMP CC[N@@H+](Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000094916661 353518082 /nfs/dbraw/zinc/51/80/82/353518082.db2.gz NRYFDEYLRORLJU-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP CC[N@H+](Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000094916661 353518085 /nfs/dbraw/zinc/51/80/85/353518085.db2.gz NRYFDEYLRORLJU-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP CO[C@](C)(C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CC1 ZINC000639113590 353706133 /nfs/dbraw/zinc/70/61/33/353706133.db2.gz ORNGUXFAKWMYCQ-MBNYWOFBSA-N 2 1 238.375 1.295 20 0 BDADMP CC(C)n1cc(C[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000220324869 353829056 /nfs/dbraw/zinc/82/90/56/353829056.db2.gz FZPRRMJKCDEGOM-UHFFFAOYSA-N 2 1 238.379 1.881 20 0 BDADMP CC(C)n1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000220324869 353829057 /nfs/dbraw/zinc/82/90/57/353829057.db2.gz FZPRRMJKCDEGOM-UHFFFAOYSA-N 2 1 238.379 1.881 20 0 BDADMP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000343459321 353895923 /nfs/dbraw/zinc/89/59/23/353895923.db2.gz TUYJMLDVTTZBMY-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccccc21 ZINC000343515056 353925932 /nfs/dbraw/zinc/92/59/32/353925932.db2.gz SXICLDPRJAEKNB-LALPHHSUSA-N 2 1 248.370 1.747 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](OC)C1CC1 ZINC000639165684 353995908 /nfs/dbraw/zinc/99/59/08/353995908.db2.gz PVFSKPQWWXLTQP-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](OC)C1CC1 ZINC000639165684 353995910 /nfs/dbraw/zinc/99/59/10/353995910.db2.gz PVFSKPQWWXLTQP-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000630078807 363283954 /nfs/dbraw/zinc/28/39/54/363283954.db2.gz VRUQBEIOUIAJGQ-DTWKUNHWSA-N 2 1 211.334 1.170 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000630078807 363283961 /nfs/dbraw/zinc/28/39/61/363283961.db2.gz VRUQBEIOUIAJGQ-DTWKUNHWSA-N 2 1 211.334 1.170 20 0 BDADMP C[C@@H]1C[C@@H](CO)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000344137926 354151649 /nfs/dbraw/zinc/15/16/49/354151649.db2.gz KADOROJGTGXWLV-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@@H](CO)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000344137926 354151655 /nfs/dbraw/zinc/15/16/55/354151655.db2.gz KADOROJGTGXWLV-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@@H](CO)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000344137926 354151657 /nfs/dbraw/zinc/15/16/57/354151657.db2.gz KADOROJGTGXWLV-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000449735847 202012616 /nfs/dbraw/zinc/01/26/16/202012616.db2.gz JLVMKBUFDMVSNY-IGQOVBAYSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)CC[NH2+]1 ZINC000334587520 354212727 /nfs/dbraw/zinc/21/27/27/354212727.db2.gz OOWDWBMNLXIKGO-STQMWFEESA-N 3 1 237.391 1.202 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(=O)[nH]c1 ZINC000639177792 354251405 /nfs/dbraw/zinc/25/14/05/354251405.db2.gz GOSLOOVRSNSSMV-AAEUAGOBSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(=O)[nH]c1 ZINC000639177792 354251406 /nfs/dbraw/zinc/25/14/06/354251406.db2.gz GOSLOOVRSNSSMV-AAEUAGOBSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177792 354251409 /nfs/dbraw/zinc/25/14/09/354251409.db2.gz GOSLOOVRSNSSMV-AAEUAGOBSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177792 354251410 /nfs/dbraw/zinc/25/14/10/354251410.db2.gz GOSLOOVRSNSSMV-AAEUAGOBSA-N 2 1 249.358 1.559 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC[C@H]1CCO1 ZINC000639178391 354253649 /nfs/dbraw/zinc/25/36/49/354253649.db2.gz KZZWDESUHUZKLB-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC[C@H]1CCO1 ZINC000639178391 354253651 /nfs/dbraw/zinc/25/36/51/354253651.db2.gz KZZWDESUHUZKLB-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC[C@H]1CCO1 ZINC000639178391 354253652 /nfs/dbraw/zinc/25/36/52/354253652.db2.gz KZZWDESUHUZKLB-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC[C@H]1CCO1 ZINC000639178391 354253653 /nfs/dbraw/zinc/25/36/53/354253653.db2.gz KZZWDESUHUZKLB-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414930465 229702919 /nfs/dbraw/zinc/70/29/19/229702919.db2.gz OZEJEEGFCAONBF-SECBINFHSA-N 2 1 218.304 1.010 20 0 BDADMP [NH3+]CCC1CC[NH+](Cc2nccs2)CC1 ZINC000087391384 366145475 /nfs/dbraw/zinc/14/54/75/366145475.db2.gz FJWYPGOODSOSKJ-UHFFFAOYSA-N 2 1 225.361 1.704 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000577962642 366145738 /nfs/dbraw/zinc/14/57/38/366145738.db2.gz BLBDOAXZBVXRTA-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP CCc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc[nH+]1 ZINC000334675816 354418750 /nfs/dbraw/zinc/41/87/50/354418750.db2.gz LOVJAKAEEBDSQK-TXEJJXNPSA-N 2 1 231.343 1.642 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639190488 354429030 /nfs/dbraw/zinc/42/90/30/354429030.db2.gz AVIHVTVBAPXCOX-CHWSQXEVSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000639190488 354429032 /nfs/dbraw/zinc/42/90/32/354429032.db2.gz AVIHVTVBAPXCOX-CHWSQXEVSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)n2C)[C@H]1C ZINC000335086819 354621459 /nfs/dbraw/zinc/62/14/59/354621459.db2.gz OLRYSEDCNKPEDI-MNOVXSKESA-N 2 1 236.363 1.716 20 0 BDADMP CN(C)c1ncc(C[N@H+]2CC[C@H]3CCC[C@@H]32)n1C ZINC000335109823 354695682 /nfs/dbraw/zinc/69/56/82/354695682.db2.gz JBJGJIBJTRHNEE-YPMHNXCESA-N 2 1 248.374 1.861 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335137690 354788247 /nfs/dbraw/zinc/78/82/47/354788247.db2.gz NIBXWQGXWYJRRC-FIYWTHMPSA-N 2 1 225.380 1.506 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000335173349 354939296 /nfs/dbraw/zinc/93/92/96/354939296.db2.gz NEDRUEFXJPYXRZ-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1CN(Cc2cnc[nH]2)CC[N@H+](C2CCC2)C1 ZINC000335207235 355043148 /nfs/dbraw/zinc/04/31/48/355043148.db2.gz KQNACRZOKJOYQC-LBPRGKRZSA-N 2 1 248.374 1.716 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000346639248 355015407 /nfs/dbraw/zinc/01/54/07/355015407.db2.gz JREHFLZPXUTWQT-VHSXEESVSA-N 2 1 239.388 1.875 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000346639248 355015409 /nfs/dbraw/zinc/01/54/09/355015409.db2.gz JREHFLZPXUTWQT-VHSXEESVSA-N 2 1 239.388 1.875 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000346863090 355119411 /nfs/dbraw/zinc/11/94/11/355119411.db2.gz WZYSZFAWPBIAAH-CYBMUJFWSA-N 2 1 233.359 1.910 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000346863090 355119415 /nfs/dbraw/zinc/11/94/15/355119415.db2.gz WZYSZFAWPBIAAH-CYBMUJFWSA-N 2 1 233.359 1.910 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346853502 355139090 /nfs/dbraw/zinc/13/90/90/355139090.db2.gz SSJUDUBRWRKZPU-DRZSPHRISA-N 2 1 234.347 1.196 20 0 BDADMP CCC[C@@](C)([NH2+]CC1CC[NH2+]CC1)C(=O)OC ZINC000346961967 355170551 /nfs/dbraw/zinc/17/05/51/355170551.db2.gz AIHZZMAHTAKCCV-CYBMUJFWSA-N 2 1 242.363 1.307 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346964809 355172313 /nfs/dbraw/zinc/17/23/13/355172313.db2.gz BTPHLJJVVFGXQX-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H](CO)C(C)(C)C ZINC000346985374 355186639 /nfs/dbraw/zinc/18/66/39/355186639.db2.gz PGTOWIVDQOZENW-LBPRGKRZSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CCCF)CC[NH2+]CC2 ZINC000335280574 355244720 /nfs/dbraw/zinc/24/47/20/355244720.db2.gz WFUCYINSTQZFDT-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP CC[C@H](C[NH+]1CCC([NH+](C)C)CC1)OC ZINC000412976849 191347792 /nfs/dbraw/zinc/34/77/92/191347792.db2.gz KFHJIDFIIJPXAX-GFCCVEGCSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000639256708 355300116 /nfs/dbraw/zinc/30/01/16/355300116.db2.gz DTRLFVRGCCDLHT-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC000639257994 355303604 /nfs/dbraw/zinc/30/36/04/355303604.db2.gz WBZKGLUKFUOCPY-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000335783279 355431184 /nfs/dbraw/zinc/43/11/84/355431184.db2.gz NVUHXUBKOXNWIV-KWQFWETISA-N 2 1 222.336 1.196 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414878005 191611545 /nfs/dbraw/zinc/61/15/45/191611545.db2.gz YVEHNUSSLFLYGA-JHJVBQTASA-N 2 1 238.375 1.533 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335856222 355601501 /nfs/dbraw/zinc/60/15/01/355601501.db2.gz XUYQOPNKDXHVJJ-LLVKDONJSA-N 2 1 230.315 1.344 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000583558634 355609214 /nfs/dbraw/zinc/60/92/14/355609214.db2.gz AQAGDTKHPVHJAV-QWHCGFSZSA-N 2 1 239.407 1.589 20 0 BDADMP c1nc2n(c1C[N@@H+]1CCc3n[nH]cc3C1)CCC2 ZINC000623243621 355611539 /nfs/dbraw/zinc/61/15/39/355611539.db2.gz IJCDLPLFEQKPFX-UHFFFAOYSA-N 2 1 243.314 1.111 20 0 BDADMP c1nc2n(c1C[N@H+]1CCc3n[nH]cc3C1)CCC2 ZINC000623243621 355611543 /nfs/dbraw/zinc/61/15/43/355611543.db2.gz IJCDLPLFEQKPFX-UHFFFAOYSA-N 2 1 243.314 1.111 20 0 BDADMP CSc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415047918 191661900 /nfs/dbraw/zinc/66/19/00/191661900.db2.gz ZATMVXCOWRPPLQ-ITGUQSILSA-N 2 1 234.368 1.716 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@H](C[NH3+])C2CCCC2)CC[NH2+]1 ZINC000415065007 191667200 /nfs/dbraw/zinc/66/72/00/191667200.db2.gz LYRGFRDPPDKPFL-MBNYWOFBSA-N 3 1 239.407 1.482 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000639348316 355788858 /nfs/dbraw/zinc/78/88/58/355788858.db2.gz VRTPGWNYBTUWFZ-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000639348316 355788863 /nfs/dbraw/zinc/78/88/63/355788863.db2.gz VRTPGWNYBTUWFZ-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CCO)CC1 ZINC000536609600 355843828 /nfs/dbraw/zinc/84/38/28/355843828.db2.gz VTOMVEKGRIPOOV-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC[C@@H](NCc2ncc[nH]2)CC1(C)C ZINC000639369020 355854230 /nfs/dbraw/zinc/85/42/30/355854230.db2.gz ZKRQGZGCNMLNME-SNVBAGLBSA-N 2 1 222.336 1.372 20 0 BDADMP CC[NH+]1CCC(NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000166884945 355861762 /nfs/dbraw/zinc/86/17/62/355861762.db2.gz BNBHNRJHVCKFOC-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374488 355877661 /nfs/dbraw/zinc/87/76/61/355877661.db2.gz GFFQQVIWZCRJIT-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOCC3CC3)C[C@@H]12 ZINC000351492433 356001626 /nfs/dbraw/zinc/00/16/26/356001626.db2.gz KWFQWFHURRJLNI-YNEHKIRRSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnn(C)c1 ZINC000335919116 356165749 /nfs/dbraw/zinc/16/57/49/356165749.db2.gz IKJIXAQIBITZQU-DGCLKSJQSA-N 2 1 236.363 1.192 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnn(C)c1 ZINC000335919116 356165753 /nfs/dbraw/zinc/16/57/53/356165753.db2.gz IKJIXAQIBITZQU-DGCLKSJQSA-N 2 1 236.363 1.192 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000420265416 192192437 /nfs/dbraw/zinc/19/24/37/192192437.db2.gz QAABTQUTSYEBDU-DTWKUNHWSA-N 2 1 246.318 1.118 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([NH3+])[C@@H]1C ZINC000420259871 192190532 /nfs/dbraw/zinc/19/05/32/192190532.db2.gz ZKVZJEWMSDCKEK-ONGXEEELSA-N 2 1 249.314 1.184 20 0 BDADMP CC(C)c1cc(N(C)C2C[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000420261983 192191036 /nfs/dbraw/zinc/19/10/36/192191036.db2.gz QSESOTQCYNSPLB-UHFFFAOYSA-N 2 1 249.362 1.074 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000420297284 192204816 /nfs/dbraw/zinc/20/48/16/192204816.db2.gz YLIKLFWDRXQHQC-OCCSQVGLSA-N 2 1 233.359 1.683 20 0 BDADMP CO[C@H](C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000420300414 192206186 /nfs/dbraw/zinc/20/61/86/192206186.db2.gz KIFWHEBTOMXJSG-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420318933 192195143 /nfs/dbraw/zinc/19/51/43/192195143.db2.gz WWVHEESFCGKALG-KGLIPLIRSA-N 3 1 239.407 1.437 20 0 BDADMP CC(C)[N@H+](CCc1cncn1C)C[C@H](C)O ZINC000639481333 356296599 /nfs/dbraw/zinc/29/65/99/356296599.db2.gz AISJHUWMJUQYAC-NSHDSACASA-N 2 1 225.336 1.054 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000420274080 192196917 /nfs/dbraw/zinc/19/69/17/192196917.db2.gz YBLWGSDNVRUFIO-HTQZYQBOSA-N 2 1 221.308 1.199 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000336126744 134093217 /nfs/dbraw/zinc/09/32/17/134093217.db2.gz GNVCESUNUZSBJF-JOYOIKCWSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000336126744 134093218 /nfs/dbraw/zinc/09/32/18/134093218.db2.gz GNVCESUNUZSBJF-JOYOIKCWSA-N 2 1 237.347 1.715 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420283602 192200479 /nfs/dbraw/zinc/20/04/79/192200479.db2.gz CHMLUMYJPJWNSA-ZIAGYGMSSA-N 3 1 241.423 1.681 20 0 BDADMP CC[C@H]1Cc2ccccc2C[N@H+]1CCOCC[NH3+] ZINC000420353233 192217043 /nfs/dbraw/zinc/21/70/43/192217043.db2.gz BLERLNCHJMRJAI-HNNXBMFYSA-N 2 1 248.370 1.799 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420350173 192217763 /nfs/dbraw/zinc/21/77/63/192217763.db2.gz FWXGLUCNSQCYSZ-SRVKXCTJSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420350173 192217766 /nfs/dbraw/zinc/21/77/66/192217766.db2.gz FWXGLUCNSQCYSZ-SRVKXCTJSA-N 2 1 212.337 1.367 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420305427 192208146 /nfs/dbraw/zinc/20/81/46/192208146.db2.gz KFTGTZBKEJZQPU-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420305427 192208147 /nfs/dbraw/zinc/20/81/47/192208147.db2.gz KFTGTZBKEJZQPU-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@@H]1CCCCO1 ZINC000420308135 192210442 /nfs/dbraw/zinc/21/04/42/192210442.db2.gz CLQPQEHGNOYPGN-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]12 ZINC000420308305 192210459 /nfs/dbraw/zinc/21/04/59/192210459.db2.gz NKHOFJKRHFUSOO-XJFOESAGSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420312956 192210893 /nfs/dbraw/zinc/21/08/93/192210893.db2.gz JHWFDLRXPSTUHM-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP CC[N@@H+](CCCOC)[C@@H]1CCC[NH2+]CC1 ZINC000420311083 192211139 /nfs/dbraw/zinc/21/11/39/192211139.db2.gz MYYUVJHOHMABBI-GFCCVEGCSA-N 2 1 214.353 1.487 20 0 BDADMP CCCC[N@@H+](CCOC)CC[C@@H]1CC[NH2+]C1 ZINC000420308534 192211252 /nfs/dbraw/zinc/21/12/52/192211252.db2.gz SIUZEPWSQHVPGT-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357623 192218713 /nfs/dbraw/zinc/21/87/13/192218713.db2.gz DSGVIVXWUZYKTI-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000420313266 192212293 /nfs/dbraw/zinc/21/22/93/192212293.db2.gz PNBQXAYJQWHUSY-KBPBESRZSA-N 3 1 239.407 1.450 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314801 192212553 /nfs/dbraw/zinc/21/25/53/192212553.db2.gz LLGPKOSZWHXOQP-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420370119 192227029 /nfs/dbraw/zinc/22/70/29/192227029.db2.gz YLWFBXLAKBPDSI-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCCO1)C1CC([NH3+])C1 ZINC000420322648 192227224 /nfs/dbraw/zinc/22/72/24/192227224.db2.gz AQJMXBSRCCBTHL-MCIGGMRASA-N 2 1 212.337 1.367 20 0 BDADMP C(C[N@H+]1CCOC[C@@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420370272 192227731 /nfs/dbraw/zinc/22/77/31/192227731.db2.gz YVVOSYSSFMQHAY-WCQYABFASA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420370122 192227861 /nfs/dbraw/zinc/22/78/61/192227861.db2.gz YLWFBXLAKBPDSI-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1(CN)CCC1 ZINC000420327230 192230017 /nfs/dbraw/zinc/23/00/17/192230017.db2.gz LCNHKZRWLFKNCJ-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000420327230 192230018 /nfs/dbraw/zinc/23/00/18/192230018.db2.gz LCNHKZRWLFKNCJ-LBPRGKRZSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000420361944 192221901 /nfs/dbraw/zinc/22/19/01/192221901.db2.gz NUIBOEOJEKSUHU-LBPRGKRZSA-N 2 1 233.359 1.683 20 0 BDADMP CCC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420361621 192222641 /nfs/dbraw/zinc/22/26/41/192222641.db2.gz NIRMYEGPWGZLFX-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP COCCOCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420382228 192234508 /nfs/dbraw/zinc/23/45/08/192234508.db2.gz ZOPAPFQWAQBEBF-ZDUSSCGKSA-N 2 1 244.379 1.147 20 0 BDADMP CCOCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420387386 192235044 /nfs/dbraw/zinc/23/50/44/192235044.db2.gz WBLNCRGJTSEKGX-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP COC1CC([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000352202657 134101717 /nfs/dbraw/zinc/10/17/17/134101717.db2.gz LLXZZQCGWAGBMI-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000420397413 192236507 /nfs/dbraw/zinc/23/65/07/192236507.db2.gz GFDBZYZGJOXDAM-VIFPVBQESA-N 2 1 211.284 1.481 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420391861 192236809 /nfs/dbraw/zinc/23/68/09/192236809.db2.gz ZHLQTAZZXCSLDL-AWEZNQCLSA-N 2 1 240.391 1.879 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cncc(F)c1 ZINC000420402636 192237808 /nfs/dbraw/zinc/23/78/08/192237808.db2.gz KDCFPPDTZJNKBH-GHMZBOCLSA-N 2 1 237.322 1.871 20 0 BDADMP [NH3+]CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420414080 192240508 /nfs/dbraw/zinc/24/05/08/192240508.db2.gz UIMOMDSHLLSLCG-GXTWGEPZSA-N 2 1 234.343 1.703 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000420420667 192240588 /nfs/dbraw/zinc/24/05/88/192240588.db2.gz YDJRAQPDFWDZLL-RYUDHWBXSA-N 2 1 244.342 1.870 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420413209 192240806 /nfs/dbraw/zinc/24/08/06/192240806.db2.gz SUWUCASPQRCLGQ-HZSPNIEDSA-N 2 1 239.407 1.293 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H](COC)C1 ZINC000420377153 192231341 /nfs/dbraw/zinc/23/13/41/192231341.db2.gz RRNOPIITGSFEGT-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000420376714 192231661 /nfs/dbraw/zinc/23/16/61/192231661.db2.gz QZEZZNFWDSGFKE-VXGBXAGGSA-N 2 1 234.347 1.546 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCOC1 ZINC000352219651 134108702 /nfs/dbraw/zinc/10/87/02/134108702.db2.gz DYPNYUYURQFXKW-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCOC1 ZINC000352219651 134108703 /nfs/dbraw/zinc/10/87/03/134108703.db2.gz DYPNYUYURQFXKW-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000352219651 134108704 /nfs/dbraw/zinc/10/87/04/134108704.db2.gz DYPNYUYURQFXKW-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H](CCO)c1ccco1 ZINC000639590108 356512791 /nfs/dbraw/zinc/51/27/91/356512791.db2.gz WDCIOXRFWZPUAZ-GFCCVEGCSA-N 2 1 249.314 1.269 20 0 BDADMP CC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639580799 356501730 /nfs/dbraw/zinc/50/17/30/356501730.db2.gz SNHVENIIUPANOD-OLZOCXBDSA-N 2 1 238.375 1.818 20 0 BDADMP CC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639580799 356501733 /nfs/dbraw/zinc/50/17/33/356501733.db2.gz SNHVENIIUPANOD-OLZOCXBDSA-N 2 1 238.375 1.818 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420930880 192287713 /nfs/dbraw/zinc/28/77/13/192287713.db2.gz CTYRZQZBXVDJLP-KGLIPLIRSA-N 2 1 242.407 1.669 20 0 BDADMP CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCC[NH+]1C ZINC000420993784 192292201 /nfs/dbraw/zinc/29/22/01/192292201.db2.gz BDCJBOCCZPGWDC-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCC[N@@H+]1C ZINC000420993784 192292203 /nfs/dbraw/zinc/29/22/03/192292203.db2.gz BDCJBOCCZPGWDC-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCC[N@H+]1C ZINC000420993784 192292205 /nfs/dbraw/zinc/29/22/05/192292205.db2.gz BDCJBOCCZPGWDC-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC1(C)CCC[N@@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000449778008 202030853 /nfs/dbraw/zinc/03/08/53/202030853.db2.gz ARKNTOKUQUGNKQ-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC1(C)CCC[N@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000449778008 202030857 /nfs/dbraw/zinc/03/08/57/202030857.db2.gz ARKNTOKUQUGNKQ-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP COCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449777967 202032173 /nfs/dbraw/zinc/03/21/73/202032173.db2.gz AIBWEDSYUVNYMJ-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP COCC[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449777967 202032176 /nfs/dbraw/zinc/03/21/76/202032176.db2.gz AIBWEDSYUVNYMJ-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CCOC1 ZINC000449781618 202036291 /nfs/dbraw/zinc/03/62/91/202036291.db2.gz IXPUPUINWFKMND-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CCOC1 ZINC000449781618 202036293 /nfs/dbraw/zinc/03/62/93/202036293.db2.gz IXPUPUINWFKMND-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](F)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336198504 134127370 /nfs/dbraw/zinc/12/73/70/134127370.db2.gz SDYGZAHZGMHKSA-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@@H](F)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336198504 134127371 /nfs/dbraw/zinc/12/73/71/134127371.db2.gz SDYGZAHZGMHKSA-NEPJUHHUSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@@H]1C[N@@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000336214842 134136130 /nfs/dbraw/zinc/13/61/30/134136130.db2.gz BKSPVNSYWITXMP-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H]1C[NH+](C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000336214842 134136131 /nfs/dbraw/zinc/13/61/31/134136131.db2.gz BKSPVNSYWITXMP-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP COCCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423033781 192546792 /nfs/dbraw/zinc/54/67/92/192546792.db2.gz GXOGYJVYHDEQOD-NWDGAFQWSA-N 2 1 228.380 1.637 20 0 BDADMP C[C@H]1CNCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000675056445 538478311 /nfs/dbraw/zinc/47/83/11/538478311.db2.gz KGIMMIIHCWSZGP-FUDCBSFHSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1CNCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000675056445 538478314 /nfs/dbraw/zinc/47/83/14/538478314.db2.gz KGIMMIIHCWSZGP-FUDCBSFHSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000167682130 134153787 /nfs/dbraw/zinc/15/37/87/134153787.db2.gz XFTQTUPGZWRCPN-VXGBXAGGSA-N 2 1 219.332 1.811 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000639762248 356684852 /nfs/dbraw/zinc/68/48/52/356684852.db2.gz LKBZXIIXDZWINJ-KBPBESRZSA-N 2 1 238.375 1.484 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000639762248 356684856 /nfs/dbraw/zinc/68/48/56/356684856.db2.gz LKBZXIIXDZWINJ-KBPBESRZSA-N 2 1 238.375 1.484 20 0 BDADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1OC ZINC000019834750 356705993 /nfs/dbraw/zinc/70/59/93/356705993.db2.gz XKKKETSWYLVGJA-UHFFFAOYSA-N 2 1 238.331 1.484 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C12CCC2 ZINC000423166750 192602225 /nfs/dbraw/zinc/60/22/25/192602225.db2.gz DBJGALVKZDDSDV-FVCCEPFGSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373573 356884674 /nfs/dbraw/zinc/88/46/74/356884674.db2.gz DIGIYVSWZIKKHW-WDEREUQCSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358162351 356862068 /nfs/dbraw/zinc/86/20/68/356862068.db2.gz HLQFHDCJYRTPSV-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358162351 356862071 /nfs/dbraw/zinc/86/20/71/356862071.db2.gz HLQFHDCJYRTPSV-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000358232308 356863604 /nfs/dbraw/zinc/86/36/04/356863604.db2.gz UXGQAKZVKMDCLU-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2CCOCC2)CC1(C)C ZINC000623387662 356918751 /nfs/dbraw/zinc/91/87/51/356918751.db2.gz OACNCOUQTSQFIF-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCOCC2)CC1(C)C ZINC000623387661 356918836 /nfs/dbraw/zinc/91/88/36/356918836.db2.gz OACNCOUQTSQFIF-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623392675 356986100 /nfs/dbraw/zinc/98/61/00/356986100.db2.gz MBSGZIKGXHNCSV-NWDGAFQWSA-N 2 1 228.380 1.874 20 0 BDADMP CC[N@H+]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000371204374 357033638 /nfs/dbraw/zinc/03/36/38/357033638.db2.gz HKBMXKFMNQTKQR-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000371204374 357033640 /nfs/dbraw/zinc/03/36/40/357033640.db2.gz HKBMXKFMNQTKQR-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000371204374 357033644 /nfs/dbraw/zinc/03/36/44/357033644.db2.gz HKBMXKFMNQTKQR-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000304705179 357171458 /nfs/dbraw/zinc/17/14/58/357171458.db2.gz KLXIRUREXYYGHJ-AWEZNQCLSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)[C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000393758625 357296721 /nfs/dbraw/zinc/29/67/21/357296721.db2.gz UQLFDOGBYFFYQA-DGCLKSJQSA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000393758625 357296724 /nfs/dbraw/zinc/29/67/24/357296724.db2.gz UQLFDOGBYFFYQA-DGCLKSJQSA-N 2 1 228.380 1.323 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000393755004 357296767 /nfs/dbraw/zinc/29/67/67/357296767.db2.gz HJWSUGLRYWSZNS-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000393755004 357296768 /nfs/dbraw/zinc/29/67/68/357296768.db2.gz HJWSUGLRYWSZNS-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000393755004 357296770 /nfs/dbraw/zinc/29/67/70/357296770.db2.gz HJWSUGLRYWSZNS-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000393755004 357296773 /nfs/dbraw/zinc/29/67/73/357296773.db2.gz HJWSUGLRYWSZNS-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H](c1nc(C[NH3+])no1)[C@H]([NH3+])c1ccccc1 ZINC000582486675 357318734 /nfs/dbraw/zinc/31/87/34/357318734.db2.gz OKUKQGSEXMLKQU-KCJUWKMLSA-N 2 1 232.287 1.332 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CCC[C@H]1C ZINC000584359334 357330001 /nfs/dbraw/zinc/33/00/01/357330001.db2.gz YWYYTFJLGFLINA-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CCC[C@H]1C ZINC000584359334 357330003 /nfs/dbraw/zinc/33/00/03/357330003.db2.gz YWYYTFJLGFLINA-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000584359334 357330006 /nfs/dbraw/zinc/33/00/06/357330006.db2.gz YWYYTFJLGFLINA-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000584359334 357330010 /nfs/dbraw/zinc/33/00/10/357330010.db2.gz YWYYTFJLGFLINA-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000582912805 357434320 /nfs/dbraw/zinc/43/43/20/357434320.db2.gz IEJDRPVOZZGNAT-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000582912805 357434326 /nfs/dbraw/zinc/43/43/26/357434326.db2.gz IEJDRPVOZZGNAT-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000582912805 357434332 /nfs/dbraw/zinc/43/43/32/357434332.db2.gz IEJDRPVOZZGNAT-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000582912805 357434337 /nfs/dbraw/zinc/43/43/37/357434337.db2.gz IEJDRPVOZZGNAT-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)O ZINC000157745182 538836127 /nfs/dbraw/zinc/83/61/27/538836127.db2.gz ZODRGUIMAKIMTH-VWYCJHECSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)O ZINC000157745182 538836131 /nfs/dbraw/zinc/83/61/31/538836131.db2.gz ZODRGUIMAKIMTH-VWYCJHECSA-N 2 1 214.353 1.218 20 0 BDADMP CC1(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000583179641 357503057 /nfs/dbraw/zinc/50/30/57/357503057.db2.gz KJHFOHXATLJLAA-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@]1(O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189067085 357603008 /nfs/dbraw/zinc/60/30/08/357603008.db2.gz RSRORWWPBKZCAA-ZDUSSCGKSA-N 2 1 226.364 1.319 20 0 BDADMP CCOC[C@@H]([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000233728283 357740803 /nfs/dbraw/zinc/74/08/03/357740803.db2.gz OVVUQMMARLSURA-CYBMUJFWSA-N 2 1 239.363 1.842 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CO)C1 ZINC000191407802 357769160 /nfs/dbraw/zinc/76/91/60/357769160.db2.gz JKLIPDZKFQKLFC-CYBMUJFWSA-N 2 1 228.380 1.423 20 0 BDADMP CCC[C@H](CCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000631667714 357855206 /nfs/dbraw/zinc/85/52/06/357855206.db2.gz GHBRDOUXKVSOPK-GFCCVEGCSA-N 2 1 240.391 1.754 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000218640219 357962598 /nfs/dbraw/zinc/96/25/98/357962598.db2.gz BMVLYLSTWRTXSL-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP COC[C@H](C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000584575576 358084185 /nfs/dbraw/zinc/08/41/85/358084185.db2.gz IIVHLAJBIIIVMD-CHWSQXEVSA-N 2 1 228.380 1.590 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCCO)C1 ZINC000076001869 325325315 /nfs/dbraw/zinc/32/53/15/325325315.db2.gz DALDWTXIWOPNBS-CQSZACIVSA-N 2 1 242.407 1.813 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C(F)F)C1CC[NH+](C)CC1 ZINC000389930652 491121779 /nfs/dbraw/zinc/12/17/79/491121779.db2.gz ZYPPZCNHBZJHKL-BDAKNGLRSA-N 2 1 220.307 1.960 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC000040622822 358244263 /nfs/dbraw/zinc/24/42/63/358244263.db2.gz HDESZTNWKSHGOC-LBPRGKRZSA-N 2 1 236.363 1.240 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC000040622822 358244266 /nfs/dbraw/zinc/24/42/66/358244266.db2.gz HDESZTNWKSHGOC-LBPRGKRZSA-N 2 1 236.363 1.240 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000450736276 202250900 /nfs/dbraw/zinc/25/09/00/202250900.db2.gz FCWLHOYLGMWJQY-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000252689351 366410553 /nfs/dbraw/zinc/41/05/53/366410553.db2.gz QXNFBJPIFKSNDP-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCS1 ZINC000252683342 366432960 /nfs/dbraw/zinc/43/29/60/366432960.db2.gz DLLPJZFDHNBJOI-ZJUUUORDSA-N 2 1 200.351 1.033 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533528 358389553 /nfs/dbraw/zinc/38/95/53/358389553.db2.gz KOZGMSJZALBRGP-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533528 358389555 /nfs/dbraw/zinc/38/95/55/358389555.db2.gz KOZGMSJZALBRGP-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000107369852 358438924 /nfs/dbraw/zinc/43/89/24/358438924.db2.gz VZMIMCUYLRWHHV-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000086189489 358441766 /nfs/dbraw/zinc/44/17/66/358441766.db2.gz AHTJBQPOLWHESW-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CN(CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+]1C ZINC000086189489 358441768 /nfs/dbraw/zinc/44/17/68/358441768.db2.gz AHTJBQPOLWHESW-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CN(CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+]1C ZINC000086189489 358441770 /nfs/dbraw/zinc/44/17/70/358441770.db2.gz AHTJBQPOLWHESW-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@H](O)C(C)(C)C)CC1 ZINC000044172621 358546091 /nfs/dbraw/zinc/54/60/91/358546091.db2.gz LKZSINRHDJPLJA-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)C(C)(C)C)CC1 ZINC000044172621 358546094 /nfs/dbraw/zinc/54/60/94/358546094.db2.gz LKZSINRHDJPLJA-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)C(C)(C)C)CC1 ZINC000044172621 358546096 /nfs/dbraw/zinc/54/60/96/358546096.db2.gz LKZSINRHDJPLJA-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2ccco2)CC[N@H+]1C ZINC000129668467 358592505 /nfs/dbraw/zinc/59/25/05/358592505.db2.gz OAWUAXKSRJLLKG-NWDGAFQWSA-N 2 1 222.332 1.894 20 0 BDADMP CC[NH+](CCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000131326413 358671075 /nfs/dbraw/zinc/67/10/75/358671075.db2.gz LRLNLARROCTQRQ-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CC[NH+](CCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000131326413 358671077 /nfs/dbraw/zinc/67/10/77/358671077.db2.gz LRLNLARROCTQRQ-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000049264128 358678590 /nfs/dbraw/zinc/67/85/90/358678590.db2.gz QZZQZFBKCOWWGV-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000050249415 358722215 /nfs/dbraw/zinc/72/22/15/358722215.db2.gz OFEYTMNGBFSPDY-VIFPVBQESA-N 2 1 240.269 1.236 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000176284519 134290553 /nfs/dbraw/zinc/29/05/53/134290553.db2.gz CMBPLRFARNKODR-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000176284519 134290554 /nfs/dbraw/zinc/29/05/54/134290554.db2.gz CMBPLRFARNKODR-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219853641 134292218 /nfs/dbraw/zinc/29/22/18/134292218.db2.gz VBRYHUGSDUOQLK-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)CC[N@H+]1C ZINC000135074462 358818551 /nfs/dbraw/zinc/81/85/51/358818551.db2.gz GUOSSUQGAXQYOM-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCCC1 ZINC000052338864 358780067 /nfs/dbraw/zinc/78/00/67/358780067.db2.gz ZYEJYVCLNXIOLD-UONOGXRCSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)on1 ZINC000086403809 358968496 /nfs/dbraw/zinc/96/84/96/358968496.db2.gz ONIHXTBLRPIGGI-UWVGGRQHSA-N 2 1 209.293 1.343 20 0 BDADMP COCC[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000070945382 359066306 /nfs/dbraw/zinc/06/63/06/359066306.db2.gz DEHHLARWGKAWJR-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP COCC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000070945382 359066308 /nfs/dbraw/zinc/06/63/08/359066308.db2.gz DEHHLARWGKAWJR-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247047404 359190200 /nfs/dbraw/zinc/19/02/00/359190200.db2.gz VQBOGSHSWKRVFM-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247047404 359190201 /nfs/dbraw/zinc/19/02/01/359190201.db2.gz VQBOGSHSWKRVFM-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247047404 359190203 /nfs/dbraw/zinc/19/02/03/359190203.db2.gz VQBOGSHSWKRVFM-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623452102 359349223 /nfs/dbraw/zinc/34/92/23/359349223.db2.gz XKQFQRKOHAQLGL-NSHDSACASA-N 2 1 226.364 1.628 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623452102 359349225 /nfs/dbraw/zinc/34/92/25/359349225.db2.gz XKQFQRKOHAQLGL-NSHDSACASA-N 2 1 226.364 1.628 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000379572391 359549222 /nfs/dbraw/zinc/54/92/22/359549222.db2.gz WKGNGTCXQJXORL-UTUOFQBUSA-N 2 1 208.349 1.574 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1CCSC1 ZINC000580498891 359762229 /nfs/dbraw/zinc/76/22/29/359762229.db2.gz FXGAAHPXNMBLIV-LLVKDONJSA-N 2 1 216.394 1.623 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000306429434 359885467 /nfs/dbraw/zinc/88/54/67/359885467.db2.gz OYXLVUVYXMSRAJ-UHFFFAOYSA-N 2 1 200.351 1.176 20 0 BDADMP CC[N@@H+](CCCCn1ccnc1C)C1COC1 ZINC000451281859 202392783 /nfs/dbraw/zinc/39/27/83/202392783.db2.gz AOYWMTGLOUGTJX-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@H+](CCCCn1cc[nH+]c1C)C1COC1 ZINC000451281859 202392787 /nfs/dbraw/zinc/39/27/87/202392787.db2.gz AOYWMTGLOUGTJX-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCCCC[NH3+] ZINC000578768400 366645395 /nfs/dbraw/zinc/64/53/95/366645395.db2.gz ZCYHHGGBJWEAJX-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP COc1ccccc1OCC[N@@H+](C)CCC[NH3+] ZINC000088399590 359953178 /nfs/dbraw/zinc/95/31/78/359953178.db2.gz PVTUJSJXPOIDDD-UHFFFAOYSA-N 2 1 238.331 1.355 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000089140137 359992570 /nfs/dbraw/zinc/99/25/70/359992570.db2.gz RLMMKGXGAVDKTE-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP CCc1cc(N2CCC[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000088759982 359977634 /nfs/dbraw/zinc/97/76/34/359977634.db2.gz NYPVGNJRECMYOB-LLVKDONJSA-N 2 1 234.347 1.523 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC2CC2)CC1(C)C ZINC000623472216 360048425 /nfs/dbraw/zinc/04/84/25/360048425.db2.gz ILIUDPLBKDPTTP-STQMWFEESA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCCO ZINC000309325437 491147039 /nfs/dbraw/zinc/14/70/39/491147039.db2.gz GIWIBQKYEXGHCJ-CHWSQXEVSA-N 2 1 230.396 1.856 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCCO ZINC000309325437 491147040 /nfs/dbraw/zinc/14/70/40/491147040.db2.gz GIWIBQKYEXGHCJ-CHWSQXEVSA-N 2 1 230.396 1.856 20 0 BDADMP CCC(CC)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666582 360122359 /nfs/dbraw/zinc/12/23/59/360122359.db2.gz IUTJINUXJMCUHD-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CCC(CC)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666582 360122362 /nfs/dbraw/zinc/12/23/62/360122362.db2.gz IUTJINUXJMCUHD-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1cc(F)c(F)cc1F ZINC000414882429 200773726 /nfs/dbraw/zinc/77/37/26/200773726.db2.gz MBIXSHWMOIMRJM-SSDOTTSWSA-N 2 1 232.249 1.931 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407428 361056447 /nfs/dbraw/zinc/05/64/47/361056447.db2.gz ZXUWGLUARPDQTI-GMXVVIOVSA-N 2 1 222.332 1.941 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc(F)c2)CCOCC1 ZINC000629388042 361039948 /nfs/dbraw/zinc/03/99/48/361039948.db2.gz PYCXKBYNGONTHZ-UHFFFAOYSA-N 2 1 238.306 1.423 20 0 BDADMP COC1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629397373 361047701 /nfs/dbraw/zinc/04/77/01/361047701.db2.gz UGHBXGAERSXSMP-QCXCNERSSA-N 2 1 226.364 1.674 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C1CC1 ZINC000629509369 361103124 /nfs/dbraw/zinc/10/31/24/361103124.db2.gz DKVMSEQDUOPGRR-WCFLWFBJSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629509978 361104749 /nfs/dbraw/zinc/10/47/49/361104749.db2.gz DKTQBPIFSMCRTN-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000629511914 361106251 /nfs/dbraw/zinc/10/62/51/361106251.db2.gz NJZRRDMHNVEJAS-JQWIXIFHSA-N 2 1 212.337 1.082 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](COC)C1CCCC1 ZINC000629527447 361130260 /nfs/dbraw/zinc/13/02/60/361130260.db2.gz VTTAVZFDSGZMDN-MJBXVCDLSA-N 2 1 240.391 1.922 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1)C1CC1 ZINC000629528446 361136245 /nfs/dbraw/zinc/13/62/45/361136245.db2.gz ZIGPMZLXGJAMBN-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000629524578 361124045 /nfs/dbraw/zinc/12/40/45/361124045.db2.gz SSJWWGJOZXRLDB-YNEHKIRRSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)CC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000629524572 361124071 /nfs/dbraw/zinc/12/40/71/361124071.db2.gz SSJWWGJOZXRLDB-AVGNSLFASA-N 2 1 228.380 1.514 20 0 BDADMP Cc1ccncc1[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523032 361124892 /nfs/dbraw/zinc/12/48/92/361124892.db2.gz DTNGKOLMLDXIGQ-GFCCVEGCSA-N 2 1 249.358 1.549 20 0 BDADMP Cc1cncc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629525616 361126816 /nfs/dbraw/zinc/12/68/16/361126816.db2.gz XVZVXIIHBZHGEJ-LBPRGKRZSA-N 2 1 249.358 1.549 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1CC1CC[NH2+]CC1 ZINC000158589526 361204929 /nfs/dbraw/zinc/20/49/29/361204929.db2.gz KLYSPFIISZCWLJ-MNOVXSKESA-N 2 1 228.405 1.812 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000158504046 361200160 /nfs/dbraw/zinc/20/01/60/361200160.db2.gz HNQNGJQBXOVTHK-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP CC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533375 361301987 /nfs/dbraw/zinc/30/19/87/361301987.db2.gz GSQIEGVEAOFSCG-UHFFFAOYSA-N 2 1 226.364 1.773 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000622044336 370673105 /nfs/dbraw/zinc/67/31/05/370673105.db2.gz AXHKTUGPYNPKDT-LPEHRKFASA-N 2 1 208.309 1.216 20 0 BDADMP C[C@@H](C[NH2+]Cc1cn[nH]c1)C[NH+]1CCCC1 ZINC000381328052 361335511 /nfs/dbraw/zinc/33/55/11/361335511.db2.gz RVGLKTSFBSBJGN-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCCF)CC1 ZINC000579254667 366750718 /nfs/dbraw/zinc/75/07/18/366750718.db2.gz QZBGOSYQTQWVNE-UHFFFAOYSA-N 2 1 246.370 1.561 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000380253203 366760851 /nfs/dbraw/zinc/76/08/51/366760851.db2.gz PRJKEOUJVZLPTB-UTUOFQBUSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000629538313 361402552 /nfs/dbraw/zinc/40/25/52/361402552.db2.gz UFQUMSRBRCBJAH-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000629538313 361402554 /nfs/dbraw/zinc/40/25/54/361402554.db2.gz UFQUMSRBRCBJAH-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535451 361410301 /nfs/dbraw/zinc/41/03/01/361410301.db2.gz CWNJVRCRXSCVTI-YTWAJWBKSA-N 2 1 200.326 1.140 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629543534 361411748 /nfs/dbraw/zinc/41/17/48/361411748.db2.gz BHJDSNKUZWQSHZ-QCNOEVLYSA-N 2 1 226.364 1.530 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000629545846 361426923 /nfs/dbraw/zinc/42/69/23/361426923.db2.gz AEDKFTGXJNPMPD-BFHYXJOUSA-N 2 1 238.375 1.615 20 0 BDADMP CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547098 361430594 /nfs/dbraw/zinc/43/05/94/361430594.db2.gz JJMHWEGRRUUNEJ-RFGFWPKPSA-N 2 1 238.375 1.674 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629542610 361419743 /nfs/dbraw/zinc/41/97/43/361419743.db2.gz GZCXZGAYQOGEGZ-YVECIDJPSA-N 2 1 226.364 1.674 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCC1CCC1 ZINC000629572441 361463677 /nfs/dbraw/zinc/46/36/77/361463677.db2.gz SOVNSXLTZOIOAK-UHFFFAOYSA-N 2 1 214.353 1.344 20 0 BDADMP C[N@@H+](CCCC1CCC1)CCOCC[NH3+] ZINC000629580414 361466493 /nfs/dbraw/zinc/46/64/93/361466493.db2.gz BIKVPDRJGGSJKC-UHFFFAOYSA-N 2 1 214.353 1.474 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430951101 201159666 /nfs/dbraw/zinc/15/96/66/201159666.db2.gz KMYSKTHRTPAPSM-NSHDSACASA-N 2 1 237.347 1.587 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430951101 201159668 /nfs/dbraw/zinc/15/96/68/201159668.db2.gz KMYSKTHRTPAPSM-NSHDSACASA-N 2 1 237.347 1.587 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381557867 361481166 /nfs/dbraw/zinc/48/11/66/361481166.db2.gz PHGZNWWOVUBMQN-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP CC[N@@H+](CCN)CCCC1CC[NH2+]CC1 ZINC000629557878 361451296 /nfs/dbraw/zinc/45/12/96/361451296.db2.gz HSXACKXRQZWPPI-UHFFFAOYSA-N 2 1 213.369 1.047 20 0 BDADMP CCN(CC[NH3+])CCCC1CC[NH2+]CC1 ZINC000629557878 361451298 /nfs/dbraw/zinc/45/12/98/361451298.db2.gz HSXACKXRQZWPPI-UHFFFAOYSA-N 2 1 213.369 1.047 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)CCOC)[NH+]1CCCC1 ZINC000151711664 201174233 /nfs/dbraw/zinc/17/42/33/201174233.db2.gz ZHRBJMVGNRCRCZ-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381612542 361495942 /nfs/dbraw/zinc/49/59/42/361495942.db2.gz VDKILQONIFRALA-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381612542 361495947 /nfs/dbraw/zinc/49/59/47/361495947.db2.gz VDKILQONIFRALA-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP CN(Cc1nccn1C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152387574 201198324 /nfs/dbraw/zinc/19/83/24/201198324.db2.gz SQSRKYSZYDSRFU-LBPRGKRZSA-N 2 1 236.363 1.194 20 0 BDADMP CCOCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152385717 201198504 /nfs/dbraw/zinc/19/85/04/201198504.db2.gz WJTAPPBHHICBLC-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CCOCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152385717 201198506 /nfs/dbraw/zinc/19/85/06/201198506.db2.gz WJTAPPBHHICBLC-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CS[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000448545870 201199362 /nfs/dbraw/zinc/19/93/62/201199362.db2.gz NWQWRBHOJPNUGX-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP CS[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000448545870 201199365 /nfs/dbraw/zinc/19/93/65/201199365.db2.gz NWQWRBHOJPNUGX-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP CC(C)OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152397183 201199466 /nfs/dbraw/zinc/19/94/66/201199466.db2.gz USTGTXPBCKNWGD-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP CC(C)OCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152397183 201199470 /nfs/dbraw/zinc/19/94/70/201199470.db2.gz USTGTXPBCKNWGD-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648516 361540441 /nfs/dbraw/zinc/54/04/41/361540441.db2.gz QAGRBFPZLNJKRV-MBNYWOFBSA-N 2 1 238.375 1.638 20 0 BDADMP COCc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000629649209 361543414 /nfs/dbraw/zinc/54/34/14/361543414.db2.gz MAUSIXSFSZQWEP-WDEREUQCSA-N 2 1 238.331 1.786 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2=CCCOC2)[C@@H]1CC[NH3+] ZINC000629650556 361547923 /nfs/dbraw/zinc/54/79/23/361547923.db2.gz VYTGZDOGCHKYDS-TZMCWYRMSA-N 2 1 238.375 1.782 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)COCC1 ZINC000629650172 361548169 /nfs/dbraw/zinc/54/81/69/361548169.db2.gz QAJXWAKRJNCBRM-CYBMUJFWSA-N 2 1 236.359 1.597 20 0 BDADMP CCOCC[N@@H+](C)C1CCN(CC)CC1 ZINC000152134028 201190263 /nfs/dbraw/zinc/19/02/63/201190263.db2.gz HOFSTNPHVIKGID-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP CCOCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000152134028 201190270 /nfs/dbraw/zinc/19/02/70/201190270.db2.gz HOFSTNPHVIKGID-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3=CCCOC3)C[C@@H]21 ZINC000629646702 361532356 /nfs/dbraw/zinc/53/23/56/361532356.db2.gz CHBGIHXVFWPJEL-HZSPNIEDSA-N 2 1 236.359 1.392 20 0 BDADMP C[C@@H]1[C@H](O)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000448549109 201214803 /nfs/dbraw/zinc/21/48/03/201214803.db2.gz XABXSVSPFBUMQA-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1[C@H](O)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000448549109 201214806 /nfs/dbraw/zinc/21/48/06/201214806.db2.gz XABXSVSPFBUMQA-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1[C@H](O)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000448549109 201214812 /nfs/dbraw/zinc/21/48/12/201214812.db2.gz XABXSVSPFBUMQA-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000153730530 201247363 /nfs/dbraw/zinc/24/73/63/201247363.db2.gz HPJDMHYVFBPBOM-CHWSQXEVSA-N 2 1 230.396 1.979 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1=CCCOC1 ZINC000379746205 361644224 /nfs/dbraw/zinc/64/42/24/361644224.db2.gz BSVIUDNCAYNCLY-PWSUYJOCSA-N 2 1 210.321 1.145 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154184953 201264969 /nfs/dbraw/zinc/26/49/69/201264969.db2.gz RNDUHYKHDZTRPV-NOOOWODRSA-N 2 1 246.420 1.171 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154184953 201264972 /nfs/dbraw/zinc/26/49/72/201264972.db2.gz RNDUHYKHDZTRPV-NOOOWODRSA-N 2 1 246.420 1.171 20 0 BDADMP Cc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(C)[nH+]1 ZINC000630558877 364260260 /nfs/dbraw/zinc/26/02/60/364260260.db2.gz YZJGXGFLUPUQCX-PHIMTYICSA-N 2 1 218.304 1.034 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cn[nH]c1 ZINC000453398691 202760458 /nfs/dbraw/zinc/76/04/58/202760458.db2.gz KTDFWLSGRRZBJG-LLVKDONJSA-N 2 1 236.363 1.935 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246513775 364599395 /nfs/dbraw/zinc/59/93/95/364599395.db2.gz UGUWOWOPXXZSDW-AGIUHOORSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000399080707 364782111 /nfs/dbraw/zinc/78/21/11/364782111.db2.gz RRZGPSISTSJJBD-NDBYEHHHSA-N 2 1 225.380 1.199 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000328317584 364826856 /nfs/dbraw/zinc/82/68/56/364826856.db2.gz CVZLSHZRIXVGMF-BFHYXJOUSA-N 2 1 238.375 1.223 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000573455267 364837455 /nfs/dbraw/zinc/83/74/55/364837455.db2.gz GKQFQAURZFOUKV-MWLCHTKSSA-N 2 1 237.347 1.857 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000573455267 364837460 /nfs/dbraw/zinc/83/74/60/364837460.db2.gz GKQFQAURZFOUKV-MWLCHTKSSA-N 2 1 237.347 1.857 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000573570872 364864455 /nfs/dbraw/zinc/86/44/55/364864455.db2.gz NGGRZGOCPKHKIK-NEPJUHHUSA-N 2 1 246.420 1.030 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(CC)C1 ZINC000573574294 364866120 /nfs/dbraw/zinc/86/61/20/364866120.db2.gz QXCKUYGKNICCPR-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(CC)C1 ZINC000573574294 364866122 /nfs/dbraw/zinc/86/61/22/364866122.db2.gz QXCKUYGKNICCPR-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(CC)C1 ZINC000573574294 364866123 /nfs/dbraw/zinc/86/61/23/364866123.db2.gz QXCKUYGKNICCPR-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000333310559 541400904 /nfs/dbraw/zinc/40/09/04/541400904.db2.gz RRDOHMSKSGMUJU-TUAOUCFPSA-N 2 1 248.374 1.750 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)CCC1 ZINC000574164122 364999663 /nfs/dbraw/zinc/99/96/63/364999663.db2.gz HPDIDIKOZDTGDJ-UHFFFAOYSA-N 3 1 245.370 1.303 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000574308217 365033863 /nfs/dbraw/zinc/03/38/63/365033863.db2.gz SIGDUYNOCAPLHZ-STQMWFEESA-N 2 1 220.316 1.148 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@H]2C[C@@H](C)CC[NH2+]2)n1 ZINC000574876325 365165227 /nfs/dbraw/zinc/16/52/27/365165227.db2.gz DEEPPGPRZVFHKM-IVZWLZJFSA-N 2 1 238.335 1.281 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000442918907 193005539 /nfs/dbraw/zinc/00/55/39/193005539.db2.gz IGEJYMAROPJGCS-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000575243499 365267962 /nfs/dbraw/zinc/26/79/62/365267962.db2.gz ANUQXCLPVPKKND-CHWFTXMASA-N 2 1 206.289 1.605 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000575762611 365357809 /nfs/dbraw/zinc/35/78/09/365357809.db2.gz ZRJNZAJCCZVNLR-GHMZBOCLSA-N 2 1 235.331 1.912 20 0 BDADMP CCCC[N@@H+](CCCO)CC[C@@H]1CCC[NH+]1C ZINC000182165337 366871964 /nfs/dbraw/zinc/87/19/64/366871964.db2.gz RTFMKTIPWJRMFB-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP CCCC[NH+](CCCO)CC[C@@H]1CCC[N@@H+]1C ZINC000182165337 366871969 /nfs/dbraw/zinc/87/19/69/366871969.db2.gz RTFMKTIPWJRMFB-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP CCCC[NH+](CCCO)CC[C@@H]1CCC[N@H+]1C ZINC000182165337 366871973 /nfs/dbraw/zinc/87/19/73/366871973.db2.gz RTFMKTIPWJRMFB-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000579713021 366989374 /nfs/dbraw/zinc/98/93/74/366989374.db2.gz WBRBRQQEZOFLIT-AWEZNQCLSA-N 2 1 233.359 1.556 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000381028059 367336925 /nfs/dbraw/zinc/33/69/25/367336925.db2.gz YSOZUTUSNXUHOY-NEPJUHHUSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000381028059 367336931 /nfs/dbraw/zinc/33/69/31/367336931.db2.gz YSOZUTUSNXUHOY-NEPJUHHUSA-N 2 1 226.364 1.220 20 0 BDADMP CCc1cnc(C[NH+]2CCC([C@H](C)[NH3+])CC2)o1 ZINC000581313625 367342466 /nfs/dbraw/zinc/34/24/66/367342466.db2.gz NEFILFGZFGTKAY-JTQLQIEISA-N 2 1 237.347 1.796 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccco1 ZINC000381482802 367416905 /nfs/dbraw/zinc/41/69/05/367416905.db2.gz TZLLQNVKZFSOEN-JTQLQIEISA-N 2 1 219.288 1.906 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000381199504 367362597 /nfs/dbraw/zinc/36/25/97/367362597.db2.gz ATJRVYKMEZLMFT-CHWSQXEVSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000381199504 367362599 /nfs/dbraw/zinc/36/25/99/367362599.db2.gz ATJRVYKMEZLMFT-CHWSQXEVSA-N 2 1 226.364 1.077 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000381621812 367440810 /nfs/dbraw/zinc/44/08/10/367440810.db2.gz AIGYYHWMVNLGCD-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000382562847 367541381 /nfs/dbraw/zinc/54/13/81/367541381.db2.gz YRDKYXFCCKRFGY-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562847 367541386 /nfs/dbraw/zinc/54/13/86/367541386.db2.gz YRDKYXFCCKRFGY-YPMHNXCESA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562847 367541390 /nfs/dbraw/zinc/54/13/90/367541390.db2.gz YRDKYXFCCKRFGY-YPMHNXCESA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000382562841 367541460 /nfs/dbraw/zinc/54/14/60/367541460.db2.gz YRDKYXFCCKRFGY-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562841 367541464 /nfs/dbraw/zinc/54/14/64/367541464.db2.gz YRDKYXFCCKRFGY-AAEUAGOBSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562841 367541468 /nfs/dbraw/zinc/54/14/68/367541468.db2.gz YRDKYXFCCKRFGY-AAEUAGOBSA-N 3 1 225.380 1.058 20 0 BDADMP Cc1ccncc1C[NH2+]CCC[NH2+]C1CC1 ZINC000382578853 367543116 /nfs/dbraw/zinc/54/31/16/367543116.db2.gz IYDYDQBVSFXOQT-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000382827196 367562406 /nfs/dbraw/zinc/56/24/06/367562406.db2.gz FGTGTFJQEAYGPV-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)O1 ZINC000384527850 367697528 /nfs/dbraw/zinc/69/75/28/367697528.db2.gz CDNIQSNFKVJMFE-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)[C@H](C)O1 ZINC000384527854 367698078 /nfs/dbraw/zinc/69/80/78/367698078.db2.gz CDNIQSNFKVJMFE-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888556 370894746 /nfs/dbraw/zinc/89/47/46/370894746.db2.gz XFQPJSWUBBOUGQ-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888556 370894751 /nfs/dbraw/zinc/89/47/51/370894751.db2.gz XFQPJSWUBBOUGQ-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@H](C)O1 ZINC000385291257 367817864 /nfs/dbraw/zinc/81/78/64/367817864.db2.gz ZURUKHLBICIOJJ-CZXHOFHRSA-N 2 1 238.375 1.626 20 0 BDADMP CCn1ccnc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000385423315 367827506 /nfs/dbraw/zinc/82/75/06/367827506.db2.gz BORKLSJUNRIBRI-WDEREUQCSA-N 2 1 222.336 1.263 20 0 BDADMP CCn1ccnc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000385423311 367827583 /nfs/dbraw/zinc/82/75/83/367827583.db2.gz BORKLSJUNRIBRI-MNOVXSKESA-N 2 1 222.336 1.263 20 0 BDADMP CCC[N@H+](CC[C@H]1CC[NH2+]C1)CC(F)F ZINC000386196713 367927568 /nfs/dbraw/zinc/92/75/68/367927568.db2.gz JIRSJMXYGVHEOT-SNVBAGLBSA-N 2 1 220.307 1.963 20 0 BDADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(F)F ZINC000386196713 367927574 /nfs/dbraw/zinc/92/75/74/367927574.db2.gz JIRSJMXYGVHEOT-SNVBAGLBSA-N 2 1 220.307 1.963 20 0 BDADMP CO[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000385991685 367894356 /nfs/dbraw/zinc/89/43/56/367894356.db2.gz FCDHUCOJILQYHX-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385999323 367896006 /nfs/dbraw/zinc/89/60/06/367896006.db2.gz KIZAVDJXCZAMKT-XJFOESAGSA-N 2 1 239.407 1.589 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386557116 367992871 /nfs/dbraw/zinc/99/28/71/367992871.db2.gz IGIQFQFIWZSUEE-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386626575 368002682 /nfs/dbraw/zinc/00/26/82/368002682.db2.gz ZBPMNZRBDOMQHV-XQQFMLRXSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000386386021 367959668 /nfs/dbraw/zinc/95/96/68/367959668.db2.gz DWJPACUSQAXIRU-XQQFMLRXSA-N 2 1 226.364 1.676 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000252948630 368169956 /nfs/dbraw/zinc/16/99/56/368169956.db2.gz NSJDHYNXWSGIPZ-JHJVBQTASA-N 2 1 228.380 1.730 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCS1 ZINC000252980168 368177379 /nfs/dbraw/zinc/17/73/79/368177379.db2.gz LDPMAQJAZRIYLB-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000623657119 368998146 /nfs/dbraw/zinc/99/81/46/368998146.db2.gz KBUIMCWZGVFGOO-GFCCVEGCSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000623657228 368998175 /nfs/dbraw/zinc/99/81/75/368998175.db2.gz LSWQXAYDKFHDEC-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657771 368999764 /nfs/dbraw/zinc/99/97/64/368999764.db2.gz YRGAZRNQCVHIRL-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000631829100 369004775 /nfs/dbraw/zinc/00/47/75/369004775.db2.gz GYEYMLVSUORCFS-FZMZJTMJSA-N 2 1 248.374 1.734 20 0 BDADMP CCC[C@@]1([NH2+]CCc2c[nH+]cn2C)CCOC1 ZINC000459474368 203287976 /nfs/dbraw/zinc/28/79/76/203287976.db2.gz XMQCTWAJDLAFDM-CYBMUJFWSA-N 2 1 237.347 1.511 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1C[C@H]1C ZINC000401676534 369370272 /nfs/dbraw/zinc/37/02/72/369370272.db2.gz ONFYOSCAGCGUKZ-WXHSDQCUSA-N 2 1 221.348 1.987 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC000459729353 203344653 /nfs/dbraw/zinc/34/46/53/203344653.db2.gz JCMYMINLBBUGNC-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459785328 203366704 /nfs/dbraw/zinc/36/67/04/203366704.db2.gz BGGGQKQDKRNQIL-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459785328 203366707 /nfs/dbraw/zinc/36/67/07/203366707.db2.gz BGGGQKQDKRNQIL-RYUDHWBXSA-N 2 1 228.405 1.908 20 0 BDADMP CCO[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C)C1CC1 ZINC000631862905 369581383 /nfs/dbraw/zinc/58/13/83/369581383.db2.gz VNEIHCZULFREHU-ADEWGFFLSA-N 2 1 212.337 1.223 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@H]1C)C1CC1 ZINC000631862905 369581387 /nfs/dbraw/zinc/58/13/87/369581387.db2.gz VNEIHCZULFREHU-ADEWGFFLSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C)C1CCCC1 ZINC000631862775 369583854 /nfs/dbraw/zinc/58/38/54/369583854.db2.gz SOPGTKWPPAPIQI-KGYLQXTDSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@H]1C)C1CCCC1 ZINC000631862775 369583855 /nfs/dbraw/zinc/58/38/55/369583855.db2.gz SOPGTKWPPAPIQI-KGYLQXTDSA-N 2 1 226.364 1.613 20 0 BDADMP CCOCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309620327 370236131 /nfs/dbraw/zinc/23/61/31/370236131.db2.gz GZABRTAJYZCJKK-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP c1cncc(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631868132 370361929 /nfs/dbraw/zinc/36/19/29/370361929.db2.gz YCPMVCJELCWEKM-KGLIPLIRSA-N 2 1 231.343 1.356 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000310429551 370344338 /nfs/dbraw/zinc/34/43/38/370344338.db2.gz SJGSUOZXGQQXHS-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000310429551 370344341 /nfs/dbraw/zinc/34/43/41/370344341.db2.gz SJGSUOZXGQQXHS-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000310429551 370344347 /nfs/dbraw/zinc/34/43/47/370344347.db2.gz SJGSUOZXGQQXHS-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000310429547 370344515 /nfs/dbraw/zinc/34/45/15/370344515.db2.gz SJGSUOZXGQQXHS-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000310429547 370344517 /nfs/dbraw/zinc/34/45/17/370344517.db2.gz SJGSUOZXGQQXHS-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000310429547 370344519 /nfs/dbraw/zinc/34/45/19/370344519.db2.gz SJGSUOZXGQQXHS-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCC[C@H]21 ZINC000310460606 370346272 /nfs/dbraw/zinc/34/62/72/370346272.db2.gz ASHDJBKEEVROGI-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCC[C@H]21 ZINC000310460606 370346276 /nfs/dbraw/zinc/34/62/76/370346276.db2.gz ASHDJBKEEVROGI-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000310460606 370346281 /nfs/dbraw/zinc/34/62/81/370346281.db2.gz ASHDJBKEEVROGI-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000310460606 370346286 /nfs/dbraw/zinc/34/62/86/370346286.db2.gz ASHDJBKEEVROGI-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CCn1cc(CC[NH2+][C@@](C)(C[NH3+])C(C)C)cn1 ZINC000621775023 370521621 /nfs/dbraw/zinc/52/16/21/370521621.db2.gz CWUIPNGALKXCFY-ZDUSSCGKSA-N 2 1 238.379 1.409 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000621775769 370522669 /nfs/dbraw/zinc/52/26/69/370522669.db2.gz YMPPQEZEXWBRSF-CQSZACIVSA-N 2 1 248.374 1.131 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccn1 ZINC000621776587 370525823 /nfs/dbraw/zinc/52/58/23/370525823.db2.gz PQFDCLPQCZJVGG-FZMZJTMJSA-N 2 1 233.359 1.807 20 0 BDADMP CC(C)CCOCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783186 370532046 /nfs/dbraw/zinc/53/20/46/370532046.db2.gz YGCMPMDBPDFOJQ-UONOGXRCSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783186 370532050 /nfs/dbraw/zinc/53/20/50/370532050.db2.gz YGCMPMDBPDFOJQ-UONOGXRCSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCCCF)C2 ZINC000621784035 370534532 /nfs/dbraw/zinc/53/45/32/370534532.db2.gz IQQOOCCWWKJPGW-NWDGAFQWSA-N 2 1 214.328 1.939 20 0 BDADMP CC[NH2+]CCCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000569106189 326390505 /nfs/dbraw/zinc/39/05/05/326390505.db2.gz UBGHLSGHZNTPOS-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000624109416 371313084 /nfs/dbraw/zinc/31/30/84/371313084.db2.gz WVQBKBMIZCZYFQ-CYBMUJFWSA-N 2 1 228.380 1.467 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624121028 371321077 /nfs/dbraw/zinc/32/10/77/371321077.db2.gz MCFQJCHQSUYFLK-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000624309733 371473439 /nfs/dbraw/zinc/47/34/39/371473439.db2.gz WBQHUEFPGDIOBM-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H](O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230026206 371636114 /nfs/dbraw/zinc/63/61/14/371636114.db2.gz GEWBKWHIINRGGU-LBPRGKRZSA-N 2 1 222.332 1.218 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000631823364 372600196 /nfs/dbraw/zinc/60/01/96/372600196.db2.gz CKJNWRULJVDYQC-NDKCEZKHSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822908 372600836 /nfs/dbraw/zinc/60/08/36/372600836.db2.gz RPWTXTPAHAUKMR-NOOOWODRSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1cc(C)c(C[NH+]2CCC([NH3+])CC2)c(C)n1 ZINC000631821429 372595809 /nfs/dbraw/zinc/59/58/09/372595809.db2.gz XOKYPLPXAOBLRU-UHFFFAOYSA-N 2 1 233.359 1.930 20 0 BDADMP N[C@H]1CCCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000631831648 372616732 /nfs/dbraw/zinc/61/67/32/372616732.db2.gz LAUGAPAFCZCNQA-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@H]1CCCCCN(CC2CC[NH2+]CC2)C1 ZINC000631831648 372616736 /nfs/dbraw/zinc/61/67/36/372616736.db2.gz LAUGAPAFCZCNQA-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP N[C@H]1CCCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000631834874 372620213 /nfs/dbraw/zinc/62/02/13/372620213.db2.gz HOHUINMVUGPJPS-KBPBESRZSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+][C@H]1CCCCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000631834874 372620218 /nfs/dbraw/zinc/62/02/18/372620218.db2.gz HOHUINMVUGPJPS-KBPBESRZSA-N 2 1 239.407 1.579 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000631838271 372631192 /nfs/dbraw/zinc/63/11/92/372631192.db2.gz LIUJMOWURSBIFE-ZIAGYGMSSA-N 3 1 239.407 1.389 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000631838271 372631200 /nfs/dbraw/zinc/63/12/00/372631200.db2.gz LIUJMOWURSBIFE-ZIAGYGMSSA-N 3 1 239.407 1.389 20 0 BDADMP Cc1csc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631838780 372633559 /nfs/dbraw/zinc/63/35/59/372633559.db2.gz VAMZMQNJDFPUCD-WCBMZHEXSA-N 2 1 225.361 1.478 20 0 BDADMP Cc1csc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631838780 372633565 /nfs/dbraw/zinc/63/35/65/372633565.db2.gz VAMZMQNJDFPUCD-WCBMZHEXSA-N 2 1 225.361 1.478 20 0 BDADMP Cc1cc(C)c(C[N@@H+](C)C2CC([NH3+])C2)c(C)n1 ZINC000631827123 372605834 /nfs/dbraw/zinc/60/58/34/372605834.db2.gz FWDFZPRQNSGQPO-UHFFFAOYSA-N 2 1 233.359 1.928 20 0 BDADMP Cc1cc(C)c(C[N@H+](C)C2CC([NH3+])C2)c(C)n1 ZINC000631827123 372605835 /nfs/dbraw/zinc/60/58/35/372605835.db2.gz FWDFZPRQNSGQPO-UHFFFAOYSA-N 2 1 233.359 1.928 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000631863069 372664755 /nfs/dbraw/zinc/66/47/55/372664755.db2.gz XHDKUZWUXKMHQB-UTUOFQBUSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@@H]1CCCCO1 ZINC000631863069 372664764 /nfs/dbraw/zinc/66/47/64/372664764.db2.gz XHDKUZWUXKMHQB-UTUOFQBUSA-N 2 1 212.337 1.367 20 0 BDADMP C(C[C@@H]1CCC[NH2+]C1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868181 372671189 /nfs/dbraw/zinc/67/11/89/372671189.db2.gz ZQNHSPLMNSITMJ-MJBXVCDLSA-N 2 1 237.391 1.108 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)OCC1CC1 ZINC000631887974 372681974 /nfs/dbraw/zinc/68/19/74/372681974.db2.gz SEDAOKMUSBNYQD-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888313 372682421 /nfs/dbraw/zinc/68/24/21/372682421.db2.gz UZULZNPVMFFOGI-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP COCCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888313 372682427 /nfs/dbraw/zinc/68/24/27/372682427.db2.gz UZULZNPVMFFOGI-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1C[N@@H+](CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000379754778 373055675 /nfs/dbraw/zinc/05/56/75/373055675.db2.gz SUXOGWRBNMGPCR-CMPLNLGQSA-N 2 1 210.321 1.002 20 0 BDADMP CSC1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000193825542 206022539 /nfs/dbraw/zinc/02/25/39/206022539.db2.gz JMNWEMVFQWLZAL-UHFFFAOYSA-N 2 1 214.378 1.566 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000159327696 206089632 /nfs/dbraw/zinc/08/96/32/206089632.db2.gz DNOWHWGDWGMGMD-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000442665921 206081241 /nfs/dbraw/zinc/08/12/41/206081241.db2.gz RKIYHBPHUINVLB-IUODEOHRSA-N 2 1 248.370 1.706 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000442665921 206081247 /nfs/dbraw/zinc/08/12/47/206081247.db2.gz RKIYHBPHUINVLB-IUODEOHRSA-N 2 1 248.370 1.706 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000450449630 206103182 /nfs/dbraw/zinc/10/31/82/206103182.db2.gz FRASPVFNMOZFRF-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000165112793 206139786 /nfs/dbraw/zinc/13/97/86/206139786.db2.gz HGOGWEQAJWXORT-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000459601490 206135080 /nfs/dbraw/zinc/13/50/80/206135080.db2.gz XEJNGIGRZMELJT-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224589587 259576992 /nfs/dbraw/zinc/57/69/92/259576992.db2.gz QXBIWPIMCXRVQO-TUAOUCFPSA-N 2 1 214.353 1.220 20 0 BDADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000309459694 168992072 /nfs/dbraw/zinc/99/20/72/168992072.db2.gz NNTYSOIMONLKGJ-XQQFMLRXSA-N 2 1 230.396 1.713 20 0 BDADMP CCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363594122 169064308 /nfs/dbraw/zinc/06/43/08/169064308.db2.gz WHKKZJPPCUACNK-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](C)O)C1 ZINC000336688730 169079215 /nfs/dbraw/zinc/07/92/15/169079215.db2.gz YQXIWZZFPUTYIQ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336688730 169079218 /nfs/dbraw/zinc/07/92/18/169079218.db2.gz YQXIWZZFPUTYIQ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336688730 169079222 /nfs/dbraw/zinc/07/92/22/169079222.db2.gz YQXIWZZFPUTYIQ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC1(C)COC1 ZINC000336676723 169126733 /nfs/dbraw/zinc/12/67/33/169126733.db2.gz BWNNINFZZJYAJD-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC1(C)COC1 ZINC000336676723 169126736 /nfs/dbraw/zinc/12/67/36/169126736.db2.gz BWNNINFZZJYAJD-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP c1c[nH+]c([C@@H]2CCCN(Cc3csnn3)C2)[nH]1 ZINC000271129254 183327390 /nfs/dbraw/zinc/32/73/90/183327390.db2.gz OVBKMUWIVOVAFS-SECBINFHSA-N 2 1 249.343 1.641 20 0 BDADMP CCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369357230 169204300 /nfs/dbraw/zinc/20/43/00/169204300.db2.gz FJPSSABTHMXLHY-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000037408310 183349416 /nfs/dbraw/zinc/34/94/16/183349416.db2.gz FBHXAAACZXXVIW-ZDUSSCGKSA-N 2 1 231.343 1.656 20 0 BDADMP CCCNC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123723625 169241392 /nfs/dbraw/zinc/24/13/92/169241392.db2.gz NUEZOQRFDSXSRA-NEPJUHHUSA-N 2 1 243.395 1.206 20 0 BDADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123723625 169241393 /nfs/dbraw/zinc/24/13/93/169241393.db2.gz NUEZOQRFDSXSRA-NEPJUHHUSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000037482596 169365746 /nfs/dbraw/zinc/36/57/46/169365746.db2.gz WCPKGDAOTKCLPH-GFCCVEGCSA-N 2 1 213.369 1.012 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092630159 169386429 /nfs/dbraw/zinc/38/64/29/169386429.db2.gz WIMMSFWAPMHUPL-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1CCCOC1 ZINC000224899868 134349040 /nfs/dbraw/zinc/34/90/40/134349040.db2.gz IZVLIFXTEZFMNA-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069724535 383841407 /nfs/dbraw/zinc/84/14/07/383841407.db2.gz WBANXAPLUPMFLU-AXFHLTTASA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313090354 383867042 /nfs/dbraw/zinc/86/70/42/383867042.db2.gz ACQLIBKQBBEQLB-CRWXNKLISA-N 2 1 240.391 1.752 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309312760 383869360 /nfs/dbraw/zinc/86/93/60/383869360.db2.gz FMRDEDTUDKXRNO-STQMWFEESA-N 3 1 229.412 1.822 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309312760 383869364 /nfs/dbraw/zinc/86/93/64/383869364.db2.gz FMRDEDTUDKXRNO-STQMWFEESA-N 3 1 229.412 1.822 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000113515490 383992871 /nfs/dbraw/zinc/99/28/71/383992871.db2.gz SWHRMLJCYZXOFU-ZFWWWQNUSA-N 2 1 248.370 1.604 20 0 BDADMP [NH3+]CCC1CC[NH+](Cc2cocn2)CC1 ZINC000518543910 383997036 /nfs/dbraw/zinc/99/70/36/383997036.db2.gz WTEFTFIPXOMZOD-UHFFFAOYSA-N 2 1 209.293 1.235 20 0 BDADMP C[C@H](C[NH2+][C@H](C)c1cnn(C)c1)C[NH+](C)C ZINC000293890957 384015922 /nfs/dbraw/zinc/01/59/22/384015922.db2.gz ZEJKQJMHUDZIQE-GHMZBOCLSA-N 2 1 224.352 1.268 20 0 BDADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000305123184 384017714 /nfs/dbraw/zinc/01/77/14/384017714.db2.gz KGHWGXXFLOSPLK-ZOBORPQBSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)C[NH+](C)C ZINC000293890959 384014979 /nfs/dbraw/zinc/01/49/79/384014979.db2.gz ZEJKQJMHUDZIQE-MNOVXSKESA-N 2 1 224.352 1.268 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000037859665 384028574 /nfs/dbraw/zinc/02/85/74/384028574.db2.gz KWNBOCLGPHDICH-DZGCQCFKSA-N 2 1 248.370 1.794 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000569471706 384096382 /nfs/dbraw/zinc/09/63/82/384096382.db2.gz KTHWDAYZHLPJQW-RYUDHWBXSA-N 3 1 213.369 1.234 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC3(C)CC3)C2)C1 ZINC000560460589 384147436 /nfs/dbraw/zinc/14/74/36/384147436.db2.gz CGJAQDSPGYEVSS-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC3(C)CC3)C2)C1 ZINC000560460589 384147437 /nfs/dbraw/zinc/14/74/37/384147437.db2.gz CGJAQDSPGYEVSS-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3(C)CC3)C2)C1 ZINC000560460589 384147439 /nfs/dbraw/zinc/14/74/39/384147439.db2.gz CGJAQDSPGYEVSS-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP CC[NH+](CC)C[C@@H](C)NCc1c[nH+]c(C)n1C ZINC000569504774 384141444 /nfs/dbraw/zinc/14/14/44/384141444.db2.gz XXEFHJKMSOHYQN-LLVKDONJSA-N 2 1 238.379 1.548 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](C2CC2)C1)C1CC1 ZINC000351714182 384203691 /nfs/dbraw/zinc/20/36/91/384203691.db2.gz ZVMNYGARQSPFKF-OCCSQVGLSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](C2CC2)C1)C1CC1 ZINC000351714182 384203695 /nfs/dbraw/zinc/20/36/95/384203695.db2.gz ZVMNYGARQSPFKF-OCCSQVGLSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1)C1CC1 ZINC000351714182 384203702 /nfs/dbraw/zinc/20/37/02/384203702.db2.gz ZVMNYGARQSPFKF-OCCSQVGLSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](C2CC2)C1)C1CC1 ZINC000351714182 384203703 /nfs/dbraw/zinc/20/37/03/384203703.db2.gz ZVMNYGARQSPFKF-OCCSQVGLSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@H+](Cc1cccs1)C1CC[NH2+]CC1 ZINC000036300930 384235957 /nfs/dbraw/zinc/23/59/57/384235957.db2.gz GRAUNOJXLUVDEA-UHFFFAOYSA-N 2 1 210.346 1.932 20 0 BDADMP C[N@@H+](Cc1cccs1)C1CC[NH2+]CC1 ZINC000036300930 384235963 /nfs/dbraw/zinc/23/59/63/384235963.db2.gz GRAUNOJXLUVDEA-UHFFFAOYSA-N 2 1 210.346 1.932 20 0 BDADMP C[C@@H]([NH2+]CCc1cn(C)cn1)[C@H]1CCCC[NH2+]1 ZINC000313309632 384253649 /nfs/dbraw/zinc/25/36/49/384253649.db2.gz VMFFHLQLOKXFQG-DGCLKSJQSA-N 2 1 236.363 1.083 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645506 384254473 /nfs/dbraw/zinc/25/44/73/384254473.db2.gz IVRGDSBDPPXOST-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228550196 384277679 /nfs/dbraw/zinc/27/76/79/384277679.db2.gz JNOKSBYIDAVQTH-YNEHKIRRSA-N 2 1 231.343 1.954 20 0 BDADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)CC(F)F ZINC000647225575 384307446 /nfs/dbraw/zinc/30/74/46/384307446.db2.gz NIZOETHOKMCGQF-VIFPVBQESA-N 2 1 220.307 1.962 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)nc1 ZINC000405445956 384340217 /nfs/dbraw/zinc/34/02/17/384340217.db2.gz FPHAYSQJMKITDT-NWDGAFQWSA-N 2 1 219.332 1.605 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095068391 384329482 /nfs/dbraw/zinc/32/94/82/384329482.db2.gz OPZOICJULBXZOZ-MNOVXSKESA-N 2 1 205.305 1.342 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095068390 384330274 /nfs/dbraw/zinc/33/02/74/384330274.db2.gz OPZOICJULBXZOZ-QWRGUYRKSA-N 2 1 205.305 1.342 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)[C@H](C)C1 ZINC000449430541 384394921 /nfs/dbraw/zinc/39/49/21/384394921.db2.gz XTZRRXDPPUKQCH-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000566412117 384399180 /nfs/dbraw/zinc/39/91/80/384399180.db2.gz CCQVMAVRXWQPME-QWRGUYRKSA-N 2 1 228.336 1.140 20 0 BDADMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000647512006 384400566 /nfs/dbraw/zinc/40/05/66/384400566.db2.gz YXXMUAZJACWIHT-XQQFMLRXSA-N 2 1 246.358 1.053 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)O ZINC000134998291 384406371 /nfs/dbraw/zinc/40/63/71/384406371.db2.gz XUOIYXNSPZRUNW-UHFFFAOYSA-N 2 1 223.320 1.008 20 0 BDADMP CC[C@H]1CN(C)CCN1c1ccnc(C)n1 ZINC000558978110 384447742 /nfs/dbraw/zinc/44/77/42/384447742.db2.gz NYZUZLJPXQBAMD-NSHDSACASA-N 2 1 220.320 1.315 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169233652 384454344 /nfs/dbraw/zinc/45/43/44/384454344.db2.gz VITXGOQHFNYKKG-JIMOISOXSA-N 2 1 220.316 1.756 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000449241317 384497750 /nfs/dbraw/zinc/49/77/50/384497750.db2.gz ARDXRQZMXDPLTG-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000449241317 384497756 /nfs/dbraw/zinc/49/77/56/384497756.db2.gz ARDXRQZMXDPLTG-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](CC1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000172583394 384502635 /nfs/dbraw/zinc/50/26/35/384502635.db2.gz VQWIDRPXQCKAAO-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC1CCOCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583394 384502640 /nfs/dbraw/zinc/50/26/40/384502640.db2.gz VQWIDRPXQCKAAO-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC1CCOCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583394 384502645 /nfs/dbraw/zinc/50/26/45/384502645.db2.gz VQWIDRPXQCKAAO-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP c1cnn(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150831488 384510465 /nfs/dbraw/zinc/51/04/65/384510465.db2.gz DCMAPXJVAVBFSH-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP c1cnn(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150831488 384510475 /nfs/dbraw/zinc/51/04/75/384510475.db2.gz DCMAPXJVAVBFSH-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150808439 384515340 /nfs/dbraw/zinc/51/53/40/384515340.db2.gz QIFNJFSPQJDATQ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000085438592 384523174 /nfs/dbraw/zinc/52/31/74/384523174.db2.gz SKTSKAOEYPIFMD-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H]1COCCN1CC[C@@H]1CCC[N@H+]1C ZINC000161926308 384543140 /nfs/dbraw/zinc/54/31/40/384543140.db2.gz IDOSIJKKHHNCPN-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)CC[C@H]1CCC[NH2+]C1 ZINC000643057850 384563228 /nfs/dbraw/zinc/56/32/28/384563228.db2.gz MBQBDQYMKXSEKG-CYBMUJFWSA-N 2 1 242.407 1.717 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000151103103 384538333 /nfs/dbraw/zinc/53/83/33/384538333.db2.gz VMTVFTDPBUCSTM-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccnc1 ZINC000020127476 384580825 /nfs/dbraw/zinc/58/08/25/384580825.db2.gz GGWQGROSUXSABN-NSHDSACASA-N 2 1 219.332 1.826 20 0 BDADMP C[C@H](C[NH2+]Cc1ccncc1)C[NH+](C)C ZINC000291698638 384565849 /nfs/dbraw/zinc/56/58/49/384565849.db2.gz JZKIIPRARLCJJU-LLVKDONJSA-N 2 1 207.321 1.369 20 0 BDADMP CN(Cc1cccn1C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000162272625 384598209 /nfs/dbraw/zinc/59/82/09/384598209.db2.gz DXTVHGOCHIITCB-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1cccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000162272625 384598219 /nfs/dbraw/zinc/59/82/19/384598219.db2.gz DXTVHGOCHIITCB-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1cccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000162272625 384598223 /nfs/dbraw/zinc/59/82/23/384598223.db2.gz DXTVHGOCHIITCB-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1cccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000162272625 384598230 /nfs/dbraw/zinc/59/82/30/384598230.db2.gz DXTVHGOCHIITCB-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1cccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000162272625 384598234 /nfs/dbraw/zinc/59/82/34/384598234.db2.gz DXTVHGOCHIITCB-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647538542 384667890 /nfs/dbraw/zinc/66/78/90/384667890.db2.gz XCHZEAIXLDRNOK-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647538540 384669043 /nfs/dbraw/zinc/66/90/43/384669043.db2.gz XCHZEAIXLDRNOK-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CCCC[N@@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000309816912 384636549 /nfs/dbraw/zinc/63/65/49/384636549.db2.gz BLITVCKTMFPDTF-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367601843 384643596 /nfs/dbraw/zinc/64/35/96/384643596.db2.gz PWQNXLLAKGCHPE-BFHYXJOUSA-N 2 1 248.374 1.681 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCSCC2)C[NH2+]1 ZINC000306686082 384660620 /nfs/dbraw/zinc/66/06/20/384660620.db2.gz JULUPLWTVGSGGB-MWLCHTKSSA-N 2 1 214.378 1.612 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000125539951 384725774 /nfs/dbraw/zinc/72/57/74/384725774.db2.gz ZCUUGRAFKLYTNB-CYBMUJFWSA-N 2 1 234.343 1.776 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000125539951 384725782 /nfs/dbraw/zinc/72/57/82/384725782.db2.gz ZCUUGRAFKLYTNB-CYBMUJFWSA-N 2 1 234.343 1.776 20 0 BDADMP CCSCC[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000336749561 384678871 /nfs/dbraw/zinc/67/88/71/384678871.db2.gz UDQNAJZDSKRKKT-LLVKDONJSA-N 2 1 234.409 1.425 20 0 BDADMP CCCCNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000104314221 384678909 /nfs/dbraw/zinc/67/89/09/384678909.db2.gz UWERLBOPUGTXFB-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CCCCNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000104314221 384678917 /nfs/dbraw/zinc/67/89/17/384678917.db2.gz UWERLBOPUGTXFB-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)CC[N@H+]1C ZINC000300358984 384683069 /nfs/dbraw/zinc/68/30/69/384683069.db2.gz CQDAVWVYTDAKPF-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000647545752 384726243 /nfs/dbraw/zinc/72/62/43/384726243.db2.gz MHNPNSOBVQQDTK-OLZOCXBDSA-N 2 1 248.374 1.242 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000336659231 384683950 /nfs/dbraw/zinc/68/39/50/384683950.db2.gz IYKDDJLESCUBBV-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000082485276 384687479 /nfs/dbraw/zinc/68/74/79/384687479.db2.gz ZUPMOAVWDTVPNI-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000647545751 384726659 /nfs/dbraw/zinc/72/66/59/384726659.db2.gz MHNPNSOBVQQDTK-CHWSQXEVSA-N 2 1 248.374 1.242 20 0 BDADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000358085510 384693345 /nfs/dbraw/zinc/69/33/45/384693345.db2.gz VFFKTHNROYIOEN-WCQYABFASA-N 2 1 249.358 1.520 20 0 BDADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000358085510 384693352 /nfs/dbraw/zinc/69/33/52/384693352.db2.gz VFFKTHNROYIOEN-WCQYABFASA-N 2 1 249.358 1.520 20 0 BDADMP C[NH2+][C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000086839802 384701419 /nfs/dbraw/zinc/70/14/19/384701419.db2.gz PJHXXDPQQJFIBD-VIFPVBQESA-N 2 1 225.723 1.923 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647542731 384703226 /nfs/dbraw/zinc/70/32/26/384703226.db2.gz AXWMETNRWZLWHF-QWHCGFSZSA-N 2 1 248.374 1.621 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543200 384712477 /nfs/dbraw/zinc/71/24/77/384712477.db2.gz JFLKSSPHNLVXEF-STQMWFEESA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543200 384712480 /nfs/dbraw/zinc/71/24/80/384712480.db2.gz JFLKSSPHNLVXEF-STQMWFEESA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCCCF ZINC000308505999 384772905 /nfs/dbraw/zinc/77/29/05/384772905.db2.gz YZNINTOJZAPXET-GHMZBOCLSA-N 2 1 202.317 1.795 20 0 BDADMP CCC[C@@]1(C)CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357077053 384776560 /nfs/dbraw/zinc/77/65/60/384776560.db2.gz JGRAJRQXQYVFIM-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP Nc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cn1 ZINC000647546464 384730655 /nfs/dbraw/zinc/73/06/55/384730655.db2.gz LGADJWMHJDKSGG-UHFFFAOYSA-N 2 1 234.347 1.245 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546747 384733083 /nfs/dbraw/zinc/73/30/83/384733083.db2.gz ZZVTWTYCLPRHCY-AAVRWANBSA-N 3 1 239.407 1.482 20 0 BDADMP C[C@@H]1C[C@H](NCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000309960587 384734667 /nfs/dbraw/zinc/73/46/67/384734667.db2.gz YEJDTUDZWWPDOO-HIFRSBDPSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[NH3+])CN1Cc1ccccc1 ZINC000309960587 384734676 /nfs/dbraw/zinc/73/46/76/384734676.db2.gz YEJDTUDZWWPDOO-HIFRSBDPSA-N 2 1 247.386 1.588 20 0 BDADMP Cc1cnccc1CC[N@H+]1CCn2ncnc2C1 ZINC000565655307 384739984 /nfs/dbraw/zinc/73/99/84/384739984.db2.gz YTGLSKOCMHYDQG-UHFFFAOYSA-N 2 1 243.314 1.040 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000309958760 384743102 /nfs/dbraw/zinc/74/31/02/384743102.db2.gz JXVRDEBPHZWFLC-GFCCVEGCSA-N 2 1 228.380 1.590 20 0 BDADMP Nc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000647547769 384750824 /nfs/dbraw/zinc/75/08/24/384750824.db2.gz CVBGWIKBRDHFKR-GFCCVEGCSA-N 2 1 246.358 1.258 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]C1 ZINC000647548221 384755093 /nfs/dbraw/zinc/75/50/93/384755093.db2.gz ZONFGWLCVXAUNP-STQMWFEESA-N 3 1 237.391 1.250 20 0 BDADMP C[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccccn1 ZINC000289577374 384755371 /nfs/dbraw/zinc/75/53/71/384755371.db2.gz QYODYHTUBKFYCQ-DGCLKSJQSA-N 2 1 249.358 1.187 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647552375 384756244 /nfs/dbraw/zinc/75/62/44/384756244.db2.gz YBBGKVHEDLLMIL-RYMFRWLXSA-N 2 1 237.391 1.234 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223563549 384758520 /nfs/dbraw/zinc/75/85/20/384758520.db2.gz QFLUMODUCVCOFD-KOLCDFICSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223563549 384758526 /nfs/dbraw/zinc/75/85/26/384758526.db2.gz QFLUMODUCVCOFD-KOLCDFICSA-N 2 1 238.306 1.700 20 0 BDADMP [NH3+]Cc1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000647553246 384769128 /nfs/dbraw/zinc/76/91/28/384769128.db2.gz MGPATAZQHFOBQR-CQSZACIVSA-N 2 1 233.359 1.235 20 0 BDADMP C(COCC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408719 384769460 /nfs/dbraw/zinc/76/94/60/384769460.db2.gz KNYASIFKNTYDDT-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000335040287 384815879 /nfs/dbraw/zinc/81/58/79/384815879.db2.gz FCSQDMBUSRHFFH-SMDDNHRTSA-N 2 1 246.354 1.934 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCF)[C@H](C)C1 ZINC000126859085 384817444 /nfs/dbraw/zinc/81/74/44/384817444.db2.gz QNZUJADVSUATHW-GHMZBOCLSA-N 2 1 202.317 1.666 20 0 BDADMP C[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398184700 384835693 /nfs/dbraw/zinc/83/56/93/384835693.db2.gz ILEDWMWURYAKEZ-UMVBOHGHSA-N 2 1 247.386 1.586 20 0 BDADMP C[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423247028 384781966 /nfs/dbraw/zinc/78/19/66/384781966.db2.gz OPVCMQYTZPNKEW-HUUCEWRRSA-N 2 1 247.386 1.631 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000310012548 384783632 /nfs/dbraw/zinc/78/36/32/384783632.db2.gz JEUCCRJXAVOAAX-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000077339229 384872688 /nfs/dbraw/zinc/87/26/88/384872688.db2.gz SWQTUJYQFGIOMJ-CYBMUJFWSA-N 2 1 225.380 1.012 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335262166 384880314 /nfs/dbraw/zinc/88/03/14/384880314.db2.gz IJFAHJYAVVMFRB-NOZJJQNGSA-N 2 1 237.347 1.708 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(C2CC2)CC1 ZINC000310197920 384887437 /nfs/dbraw/zinc/88/74/37/384887437.db2.gz BGZLNXOXTLIHGI-GFCCVEGCSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000220540446 384851365 /nfs/dbraw/zinc/85/13/65/384851365.db2.gz IMVHJTIKXFNOOL-MRVPVSSYSA-N 2 1 214.259 1.792 20 0 BDADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000310191863 384891207 /nfs/dbraw/zinc/89/12/07/384891207.db2.gz YWWIRAVTNKDCHL-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000310191863 384891211 /nfs/dbraw/zinc/89/12/11/384891211.db2.gz YWWIRAVTNKDCHL-RDBSUJKOSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000310191863 384891219 /nfs/dbraw/zinc/89/12/19/384891219.db2.gz YWWIRAVTNKDCHL-RDBSUJKOSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000310191861 384891827 /nfs/dbraw/zinc/89/18/27/384891827.db2.gz YWWIRAVTNKDCHL-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000310191861 384891835 /nfs/dbraw/zinc/89/18/35/384891835.db2.gz YWWIRAVTNKDCHL-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000310191861 384891840 /nfs/dbraw/zinc/89/18/40/384891840.db2.gz YWWIRAVTNKDCHL-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000149254854 384922443 /nfs/dbraw/zinc/92/24/43/384922443.db2.gz XGKDXODWOBUAQE-GHMZBOCLSA-N 2 1 200.326 1.095 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(O)CC2)C1 ZINC000258688669 384930633 /nfs/dbraw/zinc/93/06/33/384930633.db2.gz DPCNBXKCAHJCJD-IYXRBSQSSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000310267839 384934065 /nfs/dbraw/zinc/93/40/65/384934065.db2.gz MQYHBMFCFDTHDR-RISCZKNCSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000310267839 384934067 /nfs/dbraw/zinc/93/40/67/384934067.db2.gz MQYHBMFCFDTHDR-RISCZKNCSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000310267832 384934234 /nfs/dbraw/zinc/93/42/34/384934234.db2.gz MQYHBMFCFDTHDR-BXUZGUMPSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000310267832 384934237 /nfs/dbraw/zinc/93/42/37/384934237.db2.gz MQYHBMFCFDTHDR-BXUZGUMPSA-N 2 1 240.391 1.610 20 0 BDADMP COc1cc([C@@H](C)NC[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000564660552 384942136 /nfs/dbraw/zinc/94/21/36/384942136.db2.gz KGGRTHTUEQHPEM-YPMHNXCESA-N 2 1 249.358 1.835 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000566230499 384965523 /nfs/dbraw/zinc/96/55/23/384965523.db2.gz HVQIVWQHFIMPOO-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccns1 ZINC000404284704 384967045 /nfs/dbraw/zinc/96/70/45/384967045.db2.gz CENVSGZYKXIFDB-SNVBAGLBSA-N 2 1 225.361 1.621 20 0 BDADMP C[C@@H](C[NH2+]Cc1ccncc1)C[NH+]1CCCC1 ZINC000057994255 384976336 /nfs/dbraw/zinc/97/63/36/384976336.db2.gz NPVJVDARNCTVJS-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP C[C@H](C[NH2+]Cc1ccns1)C[NH+]1CCCC1 ZINC000404415557 384982540 /nfs/dbraw/zinc/98/25/40/384982540.db2.gz DADSIXIIVMPOGT-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000404489646 385021917 /nfs/dbraw/zinc/02/19/17/385021917.db2.gz GQQYDGSOJAYVNA-UWVGGRQHSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000404489646 385021924 /nfs/dbraw/zinc/02/19/24/385021924.db2.gz GQQYDGSOJAYVNA-UWVGGRQHSA-N 2 1 225.361 1.702 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000644603623 384997718 /nfs/dbraw/zinc/99/77/18/384997718.db2.gz HIKOODPGHKDNSQ-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000249894086 385005699 /nfs/dbraw/zinc/00/56/99/385005699.db2.gz RDRKDGINXGQPTI-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP c1cn2c([nH+]1)CC[C@H]([NH2+]CC1CCOCC1)C2 ZINC000364122145 385015295 /nfs/dbraw/zinc/01/52/95/385015295.db2.gz AOPZCGMJFUZHMI-LBPRGKRZSA-N 2 1 235.331 1.214 20 0 BDADMP Cc1cccnc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404763639 385055551 /nfs/dbraw/zinc/05/55/51/385055551.db2.gz DZRGBLGWKTUCNB-NEPJUHHUSA-N 2 1 219.332 1.605 20 0 BDADMP CCC1(C[NH2+]C2CC[NH+](C)CC2)CCOCC1 ZINC000310425712 385057819 /nfs/dbraw/zinc/05/78/19/385057819.db2.gz OYGNXXBDANWCMO-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H](N)[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359224926 385074569 /nfs/dbraw/zinc/07/45/69/385074569.db2.gz UDRCTXBJRDTOOB-TZMCWYRMSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000359224926 385074577 /nfs/dbraw/zinc/07/45/77/385074577.db2.gz UDRCTXBJRDTOOB-TZMCWYRMSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230554 385078726 /nfs/dbraw/zinc/07/87/26/385078726.db2.gz ZSHLRPVAMHPYHK-TZMCWYRMSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404512815 385024330 /nfs/dbraw/zinc/02/43/30/385024330.db2.gz RZCQSWMGMFHTAH-UWVGGRQHSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccns2)C[C@@H]1C[NH3+] ZINC000404512815 385024338 /nfs/dbraw/zinc/02/43/38/385024338.db2.gz RZCQSWMGMFHTAH-UWVGGRQHSA-N 2 1 225.361 1.560 20 0 BDADMP c1cncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000310561839 385117528 /nfs/dbraw/zinc/11/75/28/385117528.db2.gz KBMCMXBPVMRMDU-OKILXGFUSA-N 2 1 231.343 1.513 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000163478906 385128295 /nfs/dbraw/zinc/12/82/95/385128295.db2.gz JSDQYWJUGFUARG-ZYHUDNBSSA-N 2 1 249.358 1.512 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188817989 385094606 /nfs/dbraw/zinc/09/46/06/385094606.db2.gz FBUJSBAXUTXKJR-WCQYABFASA-N 2 1 249.358 1.398 20 0 BDADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC000647051329 385188002 /nfs/dbraw/zinc/18/80/02/385188002.db2.gz PITLXUABAIVWHW-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305114500 385188911 /nfs/dbraw/zinc/18/89/11/385188911.db2.gz FEAPBEXXXUZJRN-BFHYXJOUSA-N 2 1 242.407 1.715 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000313026674 385195478 /nfs/dbraw/zinc/19/54/78/385195478.db2.gz IGENAJSBJGGYRY-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308826692 385195334 /nfs/dbraw/zinc/19/53/34/385195334.db2.gz IBKBKLPQVKNHMK-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308826692 385195337 /nfs/dbraw/zinc/19/53/37/385195337.db2.gz IBKBKLPQVKNHMK-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP OCCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157341900 385151658 /nfs/dbraw/zinc/15/16/58/385151658.db2.gz MKDYMCIWWDBMPI-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP C[C@H](C[NH2+]Cc1cncs1)C[NH+]1CCCC1 ZINC000062079024 385154827 /nfs/dbraw/zinc/15/48/27/385154827.db2.gz PGFQHWCNPPOYPY-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP FC1(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479794 385158035 /nfs/dbraw/zinc/15/80/35/385158035.db2.gz USUWSCIMFWBJFG-VXGBXAGGSA-N 2 1 226.339 1.953 20 0 BDADMP FC1(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479794 385158045 /nfs/dbraw/zinc/15/80/45/385158045.db2.gz USUWSCIMFWBJFG-VXGBXAGGSA-N 2 1 226.339 1.953 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000157702647 385256414 /nfs/dbraw/zinc/25/64/14/385256414.db2.gz CQEMXRJKFHJNLA-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000157702647 385256420 /nfs/dbraw/zinc/25/64/20/385256420.db2.gz CQEMXRJKFHJNLA-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000305768829 385227701 /nfs/dbraw/zinc/22/77/01/385227701.db2.gz LEGUSHLHJSAAHZ-FRRDWIJNSA-N 2 1 242.407 1.713 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000308946045 385307488 /nfs/dbraw/zinc/30/74/88/385307488.db2.gz NRUHENCPWAQXIT-CHWSQXEVSA-N 2 1 208.349 1.859 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000166775498 385284284 /nfs/dbraw/zinc/28/42/84/385284284.db2.gz UEARPKZPHJVKFD-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCCO ZINC000179149208 385368135 /nfs/dbraw/zinc/36/81/35/385368135.db2.gz JBAVDQDLACSSRB-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCCO ZINC000179149220 385368440 /nfs/dbraw/zinc/36/84/40/385368440.db2.gz JBAVDQDLACSSRB-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCCO ZINC000179149187 385368629 /nfs/dbraw/zinc/36/86/29/385368629.db2.gz JBAVDQDLACSSRB-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP Cc1nc(C)c(C[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000309017394 385371713 /nfs/dbraw/zinc/37/17/13/385371713.db2.gz VBGJQACJXGJGPG-JTQLQIEISA-N 2 1 227.377 1.833 20 0 BDADMP COCC(C)(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000179421894 385374364 /nfs/dbraw/zinc/37/43/64/385374364.db2.gz LRPCEKGMKSEOKJ-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC000192988111 385379732 /nfs/dbraw/zinc/37/97/32/385379732.db2.gz VLABRDCFWMNYTM-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000192988111 385379735 /nfs/dbraw/zinc/37/97/35/385379735.db2.gz VLABRDCFWMNYTM-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000192988111 385379741 /nfs/dbraw/zinc/37/97/41/385379741.db2.gz VLABRDCFWMNYTM-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000299932444 385328052 /nfs/dbraw/zinc/32/80/52/385328052.db2.gz YHHPRIOPMSXTIP-GXTWGEPZSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000299932445 385328328 /nfs/dbraw/zinc/32/83/28/385328328.db2.gz YHHPRIOPMSXTIP-JSGCOSHPSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[N@@H+]1C ZINC000309108395 385425755 /nfs/dbraw/zinc/42/57/55/385425755.db2.gz IUCPZGNHNJBQLG-DDHJBXDOSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CC[N@H+]1C ZINC000309108395 385425758 /nfs/dbraw/zinc/42/57/58/385425758.db2.gz IUCPZGNHNJBQLG-DDHJBXDOSA-N 2 1 214.328 1.949 20 0 BDADMP CC[C@H]1CN(Cc2[nH]ncc2C)CC[C@H]1[NH3+] ZINC000647497504 385409615 /nfs/dbraw/zinc/40/96/15/385409615.db2.gz JOXNAOWBYQXPLZ-WDEREUQCSA-N 2 1 222.336 1.277 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647498839 385421515 /nfs/dbraw/zinc/42/15/15/385421515.db2.gz RVFXADAVONOKLM-STQMWFEESA-N 3 1 225.380 1.045 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000182332183 385438762 /nfs/dbraw/zinc/43/87/62/385438762.db2.gz QLZFFBTULNARHI-NSHDSACASA-N 2 1 214.353 1.484 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000309184158 385453794 /nfs/dbraw/zinc/45/37/94/385453794.db2.gz GLVUNVHEJUBGMO-FRRDWIJNSA-N 2 1 219.332 1.970 20 0 BDADMP CC(C)CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000336720475 385467067 /nfs/dbraw/zinc/46/70/67/385467067.db2.gz WQXLTGUSDYCLIH-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000309208359 385482237 /nfs/dbraw/zinc/48/22/37/385482237.db2.gz BKPLUFQNOFNRMJ-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000309208359 385482238 /nfs/dbraw/zinc/48/22/38/385482238.db2.gz BKPLUFQNOFNRMJ-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000309208359 385482243 /nfs/dbraw/zinc/48/22/43/385482243.db2.gz BKPLUFQNOFNRMJ-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309208359 385482245 /nfs/dbraw/zinc/48/22/45/385482245.db2.gz BKPLUFQNOFNRMJ-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@](C)(C[NH2+]CC1=CC[N@@H+](C)CC1)OC ZINC000319067314 385545142 /nfs/dbraw/zinc/54/51/42/385545142.db2.gz PZHMTAIUABXCHF-ZDUSSCGKSA-N 2 1 226.364 1.653 20 0 BDADMP Cc1nc(NC[C@@H](C)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000309446321 385586799 /nfs/dbraw/zinc/58/67/99/385586799.db2.gz LMBMHDPBZXNEFP-MRVPVSSYSA-N 2 1 222.336 1.764 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309458848 385589916 /nfs/dbraw/zinc/58/99/16/385589916.db2.gz RJRJCXCTQPEVDV-AAEUAGOBSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309458848 385589920 /nfs/dbraw/zinc/58/99/20/385589920.db2.gz RJRJCXCTQPEVDV-AAEUAGOBSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309458848 385589922 /nfs/dbraw/zinc/58/99/22/385589922.db2.gz RJRJCXCTQPEVDV-AAEUAGOBSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309458848 385589927 /nfs/dbraw/zinc/58/99/27/385589927.db2.gz RJRJCXCTQPEVDV-AAEUAGOBSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309458848 385589930 /nfs/dbraw/zinc/58/99/30/385589930.db2.gz RJRJCXCTQPEVDV-AAEUAGOBSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@H](C)C[NH2+]C)CC1 ZINC000414848079 385608849 /nfs/dbraw/zinc/60/88/49/385608849.db2.gz WRIQIZOKOABKED-GFCCVEGCSA-N 3 1 227.396 1.306 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000054243341 385611262 /nfs/dbraw/zinc/61/12/62/385611262.db2.gz YXXSRGBUYPEMEL-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CSCCC[N@H+](C)CCn1cc[nH+]c1C ZINC000281236721 385645987 /nfs/dbraw/zinc/64/59/87/385645987.db2.gz CQXYMFGUXVXDAQ-UHFFFAOYSA-N 2 1 227.377 1.876 20 0 BDADMP CSCCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000281236721 385645997 /nfs/dbraw/zinc/64/59/97/385645997.db2.gz CQXYMFGUXVXDAQ-UHFFFAOYSA-N 2 1 227.377 1.876 20 0 BDADMP CCN1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000414851300 385650092 /nfs/dbraw/zinc/65/00/92/385650092.db2.gz IYTAPQWFCWUDHR-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000414851300 385650099 /nfs/dbraw/zinc/65/00/99/385650099.db2.gz IYTAPQWFCWUDHR-CHWSQXEVSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000309522974 385660867 /nfs/dbraw/zinc/66/08/67/385660867.db2.gz CICCMNNJHDITRL-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000309522974 385660870 /nfs/dbraw/zinc/66/08/70/385660870.db2.gz CICCMNNJHDITRL-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP FCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336686232 385702068 /nfs/dbraw/zinc/70/20/68/385702068.db2.gz KXXXNDYQNSPTAP-GFCCVEGCSA-N 2 1 214.328 1.812 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000122610623 385706411 /nfs/dbraw/zinc/70/64/11/385706411.db2.gz ODZXVPNLYJBYIS-WDEREUQCSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414858011 385729916 /nfs/dbraw/zinc/72/99/16/385729916.db2.gz HEVRYLDALQESFT-UHFFFAOYSA-N 2 1 245.326 1.640 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414858980 385734481 /nfs/dbraw/zinc/73/44/81/385734481.db2.gz AEKRGUPVJVTENX-DGCLKSJQSA-N 2 1 226.364 1.533 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336693648 385737633 /nfs/dbraw/zinc/73/76/33/385737633.db2.gz HYJLPFZHCGDUEB-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336693648 385737635 /nfs/dbraw/zinc/73/76/35/385737635.db2.gz HYJLPFZHCGDUEB-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000336693648 385737639 /nfs/dbraw/zinc/73/76/39/385737639.db2.gz HYJLPFZHCGDUEB-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000336693648 385737642 /nfs/dbraw/zinc/73/76/42/385737642.db2.gz HYJLPFZHCGDUEB-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc2cc(C)ccn12 ZINC000414862196 385749843 /nfs/dbraw/zinc/74/98/43/385749843.db2.gz VEPUYMCJJSCXLJ-UHFFFAOYSA-N 2 1 232.331 1.342 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000414944719 385783513 /nfs/dbraw/zinc/78/35/13/385783513.db2.gz QGVHYMULYHWNDS-FQUUOJAGSA-N 2 1 239.407 1.304 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000414944719 385783516 /nfs/dbraw/zinc/78/35/16/385783516.db2.gz QGVHYMULYHWNDS-FQUUOJAGSA-N 3 1 239.407 1.304 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000414944719 385783522 /nfs/dbraw/zinc/78/35/22/385783522.db2.gz QGVHYMULYHWNDS-FQUUOJAGSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@H]([N@H+](C)C[C@H](O)C[NH+](C)C1CC1)C1(C)CC1 ZINC000336690684 385722935 /nfs/dbraw/zinc/72/29/35/385722935.db2.gz HISOJBCKKNMVOV-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)C1(C)CC1 ZINC000336690684 385722940 /nfs/dbraw/zinc/72/29/40/385722940.db2.gz HISOJBCKKNMVOV-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C1CC1)C1(C)CC1 ZINC000336690684 385722944 /nfs/dbraw/zinc/72/29/44/385722944.db2.gz HISOJBCKKNMVOV-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)C1CC1)C1(C)CC1 ZINC000336690684 385722950 /nfs/dbraw/zinc/72/29/50/385722950.db2.gz HISOJBCKKNMVOV-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414950530 385818700 /nfs/dbraw/zinc/81/87/00/385818700.db2.gz OVRPKHQRMPWNAO-NEPJUHHUSA-N 2 1 236.363 1.694 20 0 BDADMP C[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000261641718 385826505 /nfs/dbraw/zinc/82/65/05/385826505.db2.gz DIJKUQQPWKAZPY-AAEUAGOBSA-N 2 1 249.358 1.013 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000647802617 385836195 /nfs/dbraw/zinc/83/61/95/385836195.db2.gz PVVNTJLEXPJOPL-STQMWFEESA-N 3 1 219.332 1.115 20 0 BDADMP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000336740862 385839155 /nfs/dbraw/zinc/83/91/55/385839155.db2.gz MPQQVQWOCRMDTA-JQWIXIFHSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000336740862 385839161 /nfs/dbraw/zinc/83/91/61/385839161.db2.gz MPQQVQWOCRMDTA-JQWIXIFHSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccs1 ZINC000336740862 385839164 /nfs/dbraw/zinc/83/91/64/385839164.db2.gz MPQQVQWOCRMDTA-JQWIXIFHSA-N 2 1 240.372 1.465 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000366630318 385854901 /nfs/dbraw/zinc/85/49/01/385854901.db2.gz QPNUOTUPCKJBOI-STQMWFEESA-N 2 1 228.380 1.419 20 0 BDADMP CO[C@@](C)(C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000638076900 385795667 /nfs/dbraw/zinc/79/56/67/385795667.db2.gz OSNZQNAMEQRXJP-OCCSQVGLSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1nc2ccccc2n1C ZINC000414871081 385856302 /nfs/dbraw/zinc/85/63/02/385856302.db2.gz CUGZGZNXJCMDLW-JTQLQIEISA-N 2 1 232.331 1.258 20 0 BDADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)n1 ZINC000414961887 385887367 /nfs/dbraw/zinc/88/73/67/385887367.db2.gz RWSFZVBIPVLQTM-AAEUAGOBSA-N 2 1 249.358 1.568 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414874292 385887774 /nfs/dbraw/zinc/88/77/74/385887774.db2.gz SECDKWKCFIWWHC-QWHCGFSZSA-N 2 1 228.380 1.779 20 0 BDADMP CCC(CC)(CC)C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414963035 385890006 /nfs/dbraw/zinc/89/00/06/385890006.db2.gz KLHLELZBIVLTIQ-ZDUSSCGKSA-N 2 1 241.423 1.696 20 0 BDADMP Cc1cc(N2CC[C@@H]([NH+](C)C)[C@H]2C)nc(C)[nH+]1 ZINC000647843712 385893835 /nfs/dbraw/zinc/89/38/35/385893835.db2.gz BTABJIHHFYUQEQ-ZYHUDNBSSA-N 2 1 234.347 1.622 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647857086 385906659 /nfs/dbraw/zinc/90/66/59/385906659.db2.gz XUVILIJZLLAYAY-AWEZNQCLSA-N 3 1 239.407 1.450 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647857086 385906663 /nfs/dbraw/zinc/90/66/63/385906663.db2.gz XUVILIJZLLAYAY-AWEZNQCLSA-N 3 1 239.407 1.450 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)COCC1 ZINC000334502724 385925674 /nfs/dbraw/zinc/92/56/74/385925674.db2.gz JVKFQZDGRZKMCO-UONOGXRCSA-N 2 1 236.359 1.550 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1CO ZINC000338255236 385927087 /nfs/dbraw/zinc/92/70/87/385927087.db2.gz YIRGXUAHWZCOQW-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CO ZINC000338255236 385927090 /nfs/dbraw/zinc/92/70/90/385927090.db2.gz YIRGXUAHWZCOQW-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP Cc1cnc(CNCC2=CC[N@@H+](C)CC2)s1 ZINC000295568863 385927433 /nfs/dbraw/zinc/92/74/33/385927433.db2.gz ZSUXPXAHJWCTNY-UHFFFAOYSA-N 2 1 237.372 1.803 20 0 BDADMP Cc1cnc(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000295568863 385927447 /nfs/dbraw/zinc/92/74/47/385927447.db2.gz ZSUXPXAHJWCTNY-UHFFFAOYSA-N 2 1 237.372 1.803 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000414871763 385860541 /nfs/dbraw/zinc/86/05/41/385860541.db2.gz OLAWCXQWWRGZAF-QWHCGFSZSA-N 2 1 227.396 1.306 20 0 BDADMP NC[C@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647827988 385876085 /nfs/dbraw/zinc/87/60/85/385876085.db2.gz UHSVUSKURAEOJG-CQSZACIVSA-N 2 1 239.407 1.579 20 0 BDADMP NC[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647827988 385876089 /nfs/dbraw/zinc/87/60/89/385876089.db2.gz UHSVUSKURAEOJG-CQSZACIVSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647827988 385876092 /nfs/dbraw/zinc/87/60/92/385876092.db2.gz UHSVUSKURAEOJG-CQSZACIVSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647827988 385876097 /nfs/dbraw/zinc/87/60/97/385876097.db2.gz UHSVUSKURAEOJG-CQSZACIVSA-N 3 1 239.407 1.579 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647836860 385881557 /nfs/dbraw/zinc/88/15/57/385881557.db2.gz JZDNNWFXXAZAOA-CQSZACIVSA-N 3 1 239.407 1.308 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414971702 385975509 /nfs/dbraw/zinc/97/55/09/385975509.db2.gz IUYNDLVTXRXQGD-NWDGAFQWSA-N 2 1 213.369 1.058 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)C2CC2)C1 ZINC000425417305 385994603 /nfs/dbraw/zinc/99/46/03/385994603.db2.gz HKGOQSWKQQNBCI-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](OC)C2CC2)C1 ZINC000425417305 385994608 /nfs/dbraw/zinc/99/46/08/385994608.db2.gz HKGOQSWKQQNBCI-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000425417305 385994615 /nfs/dbraw/zinc/99/46/15/385994615.db2.gz HKGOQSWKQQNBCI-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000338355409 385977412 /nfs/dbraw/zinc/97/74/12/385977412.db2.gz JJHKGQBUTSPWPV-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000335018957 385977849 /nfs/dbraw/zinc/97/78/49/385977849.db2.gz XYKURWZWBFPYOB-SEZDTBSWSA-N 2 1 236.281 1.915 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1CC1(C)C ZINC000414130486 385979978 /nfs/dbraw/zinc/97/99/78/385979978.db2.gz JLESNPLTFSZLDF-SGMGOOAPSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000414130486 385979982 /nfs/dbraw/zinc/97/99/82/385979982.db2.gz JLESNPLTFSZLDF-SGMGOOAPSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414973504 385992994 /nfs/dbraw/zinc/99/29/94/385992994.db2.gz ZTQLZTJKFKWQIM-OLZOCXBDSA-N 2 1 227.396 1.482 20 0 BDADMP C(CN1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000251415639 385955755 /nfs/dbraw/zinc/95/57/55/385955755.db2.gz RPGQEPPOLHEAMO-KGLIPLIRSA-N 2 1 237.391 1.156 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)CC[N@H+]1C ZINC000189285908 385972209 /nfs/dbraw/zinc/97/22/09/385972209.db2.gz RSXDMRQQRDXCFL-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000414154719 386004295 /nfs/dbraw/zinc/00/42/95/386004295.db2.gz UCGPPOQGUKPOSP-RXGFPQBGSA-N 2 1 226.364 1.218 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1cc(F)ccc1C ZINC000414974274 386009394 /nfs/dbraw/zinc/00/93/94/386009394.db2.gz DIBCVKRVFBQJPV-GFCCVEGCSA-N 2 1 210.296 1.961 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@@H]1C ZINC000414974773 386011200 /nfs/dbraw/zinc/01/12/00/386011200.db2.gz KMTYJDSULRKOSR-SYQHCUMBSA-N 2 1 239.407 1.304 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976195 386014178 /nfs/dbraw/zinc/01/41/78/386014178.db2.gz NPXHEVPGTVNVLR-IHRRRGAJSA-N 2 1 239.407 1.304 20 0 BDADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000425422300 386039632 /nfs/dbraw/zinc/03/96/32/386039632.db2.gz MTHMLXGWGSALBY-FPMFFAJLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000425422300 386039634 /nfs/dbraw/zinc/03/96/34/386039634.db2.gz MTHMLXGWGSALBY-FPMFFAJLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000425422300 386039640 /nfs/dbraw/zinc/03/96/40/386039640.db2.gz MTHMLXGWGSALBY-FPMFFAJLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000425422300 386039644 /nfs/dbraw/zinc/03/96/44/386039644.db2.gz MTHMLXGWGSALBY-FPMFFAJLSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000414239385 386053178 /nfs/dbraw/zinc/05/31/78/386053178.db2.gz YODYYBFKIVKJSD-SMDDNHRTSA-N 2 1 240.391 1.874 20 0 BDADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414888709 386104119 /nfs/dbraw/zinc/10/41/19/386104119.db2.gz SKLDKPPYPODLKP-JSGCOSHPSA-N 2 1 248.370 1.968 20 0 BDADMP CSCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334455854 386107747 /nfs/dbraw/zinc/10/77/47/386107747.db2.gz GPAULNKVYCHIJN-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CSCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334455854 386107755 /nfs/dbraw/zinc/10/77/55/386107755.db2.gz GPAULNKVYCHIJN-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CSCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334455854 386107758 /nfs/dbraw/zinc/10/77/58/386107758.db2.gz GPAULNKVYCHIJN-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666732 386112381 /nfs/dbraw/zinc/11/23/81/386112381.db2.gz XFCZHWSMNZFQTK-YVECIDJPSA-N 3 1 225.380 1.044 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000414209262 386063072 /nfs/dbraw/zinc/06/30/72/386063072.db2.gz SJFDNYQYLJWHRS-RFQIPJPRSA-N 2 1 242.407 1.977 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414211689 386064831 /nfs/dbraw/zinc/06/48/31/386064831.db2.gz VUDTVYSRHVRNAU-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1([NH3+])CCC1 ZINC000335051115 386069989 /nfs/dbraw/zinc/06/99/89/386069989.db2.gz CIDSARGOZCQORW-NSHDSACASA-N 2 1 234.347 1.269 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414657331 386086433 /nfs/dbraw/zinc/08/64/33/386086433.db2.gz HQLPRJHTQKPQBF-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000414887760 386095189 /nfs/dbraw/zinc/09/51/89/386095189.db2.gz ZLHIHZWLKBTVNQ-NEPJUHHUSA-N 3 1 225.380 1.188 20 0 BDADMP CC[C@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC000414893659 386161730 /nfs/dbraw/zinc/16/17/30/386161730.db2.gz RZLMJEQQGVATAN-AGIUHOORSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000414893675 386163399 /nfs/dbraw/zinc/16/33/99/386163399.db2.gz YMOUEOWHUIMOEU-LLVKDONJSA-N 2 1 244.342 1.904 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccnn1C ZINC000235435140 386164127 /nfs/dbraw/zinc/16/41/27/386164127.db2.gz AHHGVUFFIALTGP-GHMZBOCLSA-N 2 1 224.352 1.411 20 0 BDADMP CC[N@@H+](CCC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000414680980 386164294 /nfs/dbraw/zinc/16/42/94/386164294.db2.gz NTIJKCVKPRSUKP-UHFFFAOYSA-N 2 1 236.315 1.586 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCn2cccn2)CC[NH2+]1 ZINC000414692176 386182312 /nfs/dbraw/zinc/18/23/12/386182312.db2.gz KFEIQNRJJRTTAH-OLZOCXBDSA-N 2 1 236.363 1.203 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000414697639 386202555 /nfs/dbraw/zinc/20/25/55/386202555.db2.gz CJTKEZWTOYSOME-MELADBBJSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000414697639 386202558 /nfs/dbraw/zinc/20/25/58/386202558.db2.gz CJTKEZWTOYSOME-MELADBBJSA-N 2 1 242.407 1.843 20 0 BDADMP [NH3+]CCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000414700948 386202992 /nfs/dbraw/zinc/20/29/92/386202992.db2.gz ZYJPWMANUBLTBD-UHFFFAOYSA-N 2 1 233.359 1.548 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H](C)O1 ZINC000414699423 386205548 /nfs/dbraw/zinc/20/55/48/386205548.db2.gz YOGDCOJRSNNUPN-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP c1cc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647881019 386207188 /nfs/dbraw/zinc/20/71/88/386207188.db2.gz UXXVAETZLNXXFI-NEPJUHHUSA-N 2 1 234.347 1.199 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000414700798 386207129 /nfs/dbraw/zinc/20/71/29/386207129.db2.gz GJANSCYUBCIPKF-NWDGAFQWSA-N 2 1 230.396 1.699 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000414700798 386207132 /nfs/dbraw/zinc/20/71/32/386207132.db2.gz GJANSCYUBCIPKF-NWDGAFQWSA-N 2 1 230.396 1.699 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000347061886 386208770 /nfs/dbraw/zinc/20/87/70/386208770.db2.gz ZFGGGGBZBJOUHM-GFCCVEGCSA-N 2 1 245.370 1.696 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707105 386217766 /nfs/dbraw/zinc/21/77/66/386217766.db2.gz NLBBKVJQJJBVPA-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000347033097 386223559 /nfs/dbraw/zinc/22/35/59/386223559.db2.gz FHUSNBFBQBVVHG-NEPJUHHUSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1cnc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000347033097 386223563 /nfs/dbraw/zinc/22/35/63/386223563.db2.gz FHUSNBFBQBVVHG-NEPJUHHUSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1nc(CC[NH2+]C2CC[NH+](C)CC2)cs1 ZINC000226313369 386257439 /nfs/dbraw/zinc/25/74/39/386257439.db2.gz GDHPEKONAQEBEM-UHFFFAOYSA-N 2 1 239.388 1.678 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698162 386198029 /nfs/dbraw/zinc/19/80/29/386198029.db2.gz IQIKNZIIQVGANB-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698162 386198034 /nfs/dbraw/zinc/19/80/34/386198034.db2.gz IQIKNZIIQVGANB-YIYPIFLZSA-N 2 1 237.391 1.058 20 0 BDADMP CCOCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133230207 386288341 /nfs/dbraw/zinc/28/83/41/386288341.db2.gz DLMMPSJVHVDRFX-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cc12 ZINC000347229408 386289766 /nfs/dbraw/zinc/28/97/66/386289766.db2.gz XDZRBMXXIZWCHP-JTQLQIEISA-N 2 1 245.330 1.047 20 0 BDADMP Cc1[nH]nc2ncc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc12 ZINC000347229408 386289769 /nfs/dbraw/zinc/28/97/69/386289769.db2.gz XDZRBMXXIZWCHP-JTQLQIEISA-N 2 1 245.330 1.047 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414733638 386294939 /nfs/dbraw/zinc/29/49/39/386294939.db2.gz JUYJYXRDJFQVOH-OLZOCXBDSA-N 2 1 227.396 1.421 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CCC[C@H](CC[NH3+])C1 ZINC000414733638 386294942 /nfs/dbraw/zinc/29/49/42/386294942.db2.gz JUYJYXRDJFQVOH-OLZOCXBDSA-N 2 1 227.396 1.421 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091394997 386296027 /nfs/dbraw/zinc/29/60/27/386296027.db2.gz IWSGTHNHLUFWDW-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091394997 386296030 /nfs/dbraw/zinc/29/60/30/386296030.db2.gz IWSGTHNHLUFWDW-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414737075 386304797 /nfs/dbraw/zinc/30/47/97/386304797.db2.gz IIQJHBXSUWXUAP-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP CC1CCN(C(=[NH2+])NCC2([NH+](C)C)CC2)CC1 ZINC000416388609 386308971 /nfs/dbraw/zinc/30/89/71/386308971.db2.gz NCZAGSYKUOUEDR-UHFFFAOYSA-N 2 1 238.379 1.337 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000414735253 386310396 /nfs/dbraw/zinc/31/03/96/386310396.db2.gz GRFNKPJVHUFEME-QWHCGFSZSA-N 2 1 241.423 1.789 20 0 BDADMP C[NH+]1CCC(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000339131116 386264672 /nfs/dbraw/zinc/26/46/72/386264672.db2.gz CGMSZMIGAICJPJ-UHFFFAOYSA-N 2 1 245.330 1.134 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCOC2)C1 ZINC000336652930 386269178 /nfs/dbraw/zinc/26/91/78/386269178.db2.gz XFNFLRZJLQSUBP-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCOC2)C1 ZINC000336652930 386269180 /nfs/dbraw/zinc/26/91/80/386269180.db2.gz XFNFLRZJLQSUBP-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000336652930 386269187 /nfs/dbraw/zinc/26/91/87/386269187.db2.gz XFNFLRZJLQSUBP-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCOC2)C1 ZINC000336652930 386269191 /nfs/dbraw/zinc/26/91/91/386269191.db2.gz XFNFLRZJLQSUBP-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336652979 386269936 /nfs/dbraw/zinc/26/99/36/386269936.db2.gz XKFGWSVHHYRIFF-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336652979 386269941 /nfs/dbraw/zinc/26/99/41/386269941.db2.gz XKFGWSVHHYRIFF-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336652979 386269947 /nfs/dbraw/zinc/26/99/47/386269947.db2.gz XKFGWSVHHYRIFF-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](C)CCc1ccccc1NC(=O)C[NH+](C)C ZINC000276111485 386275753 /nfs/dbraw/zinc/27/57/53/386275753.db2.gz XPAMJOYZWFWUKM-UHFFFAOYSA-N 2 1 249.358 1.291 20 0 BDADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000347235042 386276682 /nfs/dbraw/zinc/27/66/82/386276682.db2.gz ZZHIEFKJKFSMQJ-JTQLQIEISA-N 2 1 234.299 1.196 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000347235042 386276684 /nfs/dbraw/zinc/27/66/84/386276684.db2.gz ZZHIEFKJKFSMQJ-JTQLQIEISA-N 2 1 234.299 1.196 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000336689370 386353863 /nfs/dbraw/zinc/35/38/63/386353863.db2.gz CDPPFJITWJSRDB-LLVKDONJSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000276890591 386387255 /nfs/dbraw/zinc/38/72/55/386387255.db2.gz KDKYNAWIODDCLL-LLVKDONJSA-N 2 1 224.352 1.792 20 0 BDADMP Cc1cnn([C@H]2CC[N@@H+](CCn3ccnc3)C2)c1 ZINC000289941193 386374880 /nfs/dbraw/zinc/37/48/80/386374880.db2.gz PRHJUBDLCCKVQR-ZDUSSCGKSA-N 2 1 245.330 1.335 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000336677911 386331573 /nfs/dbraw/zinc/33/15/73/386331573.db2.gz ACYQAHLJMIWIHS-OLZOCXBDSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000647989105 386335913 /nfs/dbraw/zinc/33/59/13/386335913.db2.gz IVNKFKWJFIOCSD-WDEREUQCSA-N 2 1 239.388 1.788 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](CCO)C2CCC2)CC[NH2+]1 ZINC000414744091 386339206 /nfs/dbraw/zinc/33/92/06/386339206.db2.gz HUMQKHLKXXMORA-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC1CCCCC1 ZINC000519411366 386437112 /nfs/dbraw/zinc/43/71/12/386437112.db2.gz CHWPVKJNWTZWGO-ZDUSSCGKSA-N 2 1 228.380 1.469 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCOC1 ZINC000336718823 386439892 /nfs/dbraw/zinc/43/98/92/386439892.db2.gz XIGIDLCRUHVMAK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000336718823 386439898 /nfs/dbraw/zinc/43/98/98/386439898.db2.gz XIGIDLCRUHVMAK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000336718823 386439904 /nfs/dbraw/zinc/43/99/04/386439904.db2.gz XIGIDLCRUHVMAK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414767076 386440709 /nfs/dbraw/zinc/44/07/09/386440709.db2.gz SBJLLFCBYGLJQY-UHFFFAOYSA-N 3 1 239.407 1.450 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000414767076 386440713 /nfs/dbraw/zinc/44/07/13/386440713.db2.gz SBJLLFCBYGLJQY-UHFFFAOYSA-N 3 1 239.407 1.450 20 0 BDADMP C[N@H+](CC[NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000094089028 386444093 /nfs/dbraw/zinc/44/40/93/386444093.db2.gz FRUXEMXQPRDSHM-UHFFFAOYSA-N 3 1 239.407 1.720 20 0 BDADMP C[N@@H+](CC[NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000094089028 386444098 /nfs/dbraw/zinc/44/40/98/386444098.db2.gz FRUXEMXQPRDSHM-UHFFFAOYSA-N 3 1 239.407 1.720 20 0 BDADMP CN(Cc1cncn1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336700033 386388379 /nfs/dbraw/zinc/38/83/79/386388379.db2.gz KYIFKDNYHBUSDS-LBPRGKRZSA-N 2 1 234.347 1.089 20 0 BDADMP COC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000336775477 386388563 /nfs/dbraw/zinc/38/85/63/386388563.db2.gz ZEBSWOZAQZDGMW-CYBMUJFWSA-N 2 1 224.348 1.263 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]1 ZINC000414754824 386394707 /nfs/dbraw/zinc/39/47/07/386394707.db2.gz SJGRTVBYHXQYCL-RQJABVFESA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@@H](C)[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000347456441 386411952 /nfs/dbraw/zinc/41/19/52/386411952.db2.gz OARUEQPVKJQEPX-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000339412286 386414605 /nfs/dbraw/zinc/41/46/05/386414605.db2.gz LVOSRDBURPKXPH-CQSZACIVSA-N 2 1 233.359 1.746 20 0 BDADMP Cc1ccc(CCC[N@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000339412286 386414612 /nfs/dbraw/zinc/41/46/12/386414612.db2.gz LVOSRDBURPKXPH-CQSZACIVSA-N 2 1 233.359 1.746 20 0 BDADMP CCc1[nH+]ccn1[C@H]1CCCN(C[C@@H](C)[NH3+])C1 ZINC000442663551 386418814 /nfs/dbraw/zinc/41/88/14/386418814.db2.gz SRDBAZJAWXDLAS-NEPJUHHUSA-N 2 1 236.363 1.430 20 0 BDADMP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647991666 386419066 /nfs/dbraw/zinc/41/90/66/386419066.db2.gz XMZAKBCHDYBIOU-GXTWGEPZSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1nccc1[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647991666 386419068 /nfs/dbraw/zinc/41/90/68/386419068.db2.gz XMZAKBCHDYBIOU-GXTWGEPZSA-N 2 1 248.374 1.557 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000415009695 386425298 /nfs/dbraw/zinc/42/52/98/386425298.db2.gz FOJBMTNAHXYUJO-IHRRRGAJSA-N 3 1 241.423 1.824 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000415009695 386425303 /nfs/dbraw/zinc/42/53/03/386425303.db2.gz FOJBMTNAHXYUJO-IHRRRGAJSA-N 2 1 241.423 1.824 20 0 BDADMP Cc1c(C[N@H+]2CCCC[C@@H]2CC[NH3+])cnn1C ZINC000093651373 386434330 /nfs/dbraw/zinc/43/43/30/386434330.db2.gz MBLDHJWXKMEJHJ-CYBMUJFWSA-N 2 1 236.363 1.432 20 0 BDADMP Cc1c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cnn1C ZINC000093651378 386434561 /nfs/dbraw/zinc/43/45/61/386434561.db2.gz BCMBTFSHZOQWQZ-LBPRGKRZSA-N 2 1 236.363 1.289 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@H+](CC[NH3+])CCO ZINC000414911971 386468438 /nfs/dbraw/zinc/46/84/38/386468438.db2.gz JNNBGVCSKXSBPB-NEPJUHHUSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+](CC[NH3+])CCO ZINC000414911971 386468444 /nfs/dbraw/zinc/46/84/44/386468444.db2.gz JNNBGVCSKXSBPB-NEPJUHHUSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC000414775857 386476916 /nfs/dbraw/zinc/47/69/16/386476916.db2.gz WDSSGBXRWUARHV-SYQHCUMBSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC000414775857 386476918 /nfs/dbraw/zinc/47/69/18/386476918.db2.gz WDSSGBXRWUARHV-SYQHCUMBSA-N 3 1 237.391 1.058 20 0 BDADMP Cc1cc(N)cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000335365188 386477150 /nfs/dbraw/zinc/47/71/50/386477150.db2.gz ZCSLSGGQAOQCDP-OLZOCXBDSA-N 2 1 219.332 1.547 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780745 386497674 /nfs/dbraw/zinc/49/76/74/386497674.db2.gz LXEYZDBBQKNPKK-YIYPIFLZSA-N 2 1 222.376 1.964 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780737 386497888 /nfs/dbraw/zinc/49/78/88/386497888.db2.gz LXEYZDBBQKNPKK-AAVRWANBSA-N 2 1 222.376 1.964 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC3)CC[N@H+]1C ZINC000417331896 386500782 /nfs/dbraw/zinc/50/07/82/386500782.db2.gz CHHHSLPDZZWIQS-UTUOFQBUSA-N 2 1 208.349 1.859 20 0 BDADMP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cn1 ZINC000415018713 386505630 /nfs/dbraw/zinc/50/56/30/386505630.db2.gz RCLXQRKVZKRNHL-MNOVXSKESA-N 2 1 236.363 1.363 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@H](C)C1 ZINC000415027116 386517046 /nfs/dbraw/zinc/51/70/46/386517046.db2.gz WCNGTPIACMSJLL-AGIUHOORSA-N 3 1 227.396 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])[C@H](C)C1 ZINC000415027116 386517053 /nfs/dbraw/zinc/51/70/53/386517053.db2.gz WCNGTPIACMSJLL-AGIUHOORSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448074 386518093 /nfs/dbraw/zinc/51/80/93/386518093.db2.gz LRWFAAXFMMVHGU-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+](C)C2CCNCC2)CC[NH2+]1 ZINC000335448074 386518095 /nfs/dbraw/zinc/51/80/95/386518095.db2.gz LRWFAAXFMMVHGU-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CCNCC2)CC[NH2+]1 ZINC000335448074 386518099 /nfs/dbraw/zinc/51/80/99/386518099.db2.gz LRWFAAXFMMVHGU-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH2+]CC1 ZINC000414774517 386464419 /nfs/dbraw/zinc/46/44/19/386464419.db2.gz BLKDGGIFSKDGSQ-OCCSQVGLSA-N 3 1 239.407 1.639 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977955 386577356 /nfs/dbraw/zinc/57/73/56/386577356.db2.gz KDOCRFBKWNXLRR-STQMWFEESA-N 2 1 240.391 1.469 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414797424 386577641 /nfs/dbraw/zinc/57/76/41/386577641.db2.gz DBHGTQTXXPZEJN-UHFFFAOYSA-N 2 1 249.358 1.393 20 0 BDADMP CO[C@@H](C[NH2+]C1CC[NH+](C)CC1)CC(C)C ZINC000417364492 386580752 /nfs/dbraw/zinc/58/07/52/386580752.db2.gz MCYFSDFQJOODEE-CYBMUJFWSA-N 2 1 228.380 1.731 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000300366233 386590908 /nfs/dbraw/zinc/59/09/08/386590908.db2.gz KQPGIXLXVAQHNO-JQWIXIFHSA-N 2 1 223.320 1.349 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC000414922116 386591446 /nfs/dbraw/zinc/59/14/46/386591446.db2.gz GKFSYMGBLJGENX-YNEHKIRRSA-N 2 1 226.364 1.532 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414801078 386591362 /nfs/dbraw/zinc/59/13/62/386591362.db2.gz SZWOVAQPQJKWRI-LBPRGKRZSA-N 2 1 246.358 1.716 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000337063542 386593158 /nfs/dbraw/zinc/59/31/58/386593158.db2.gz YUDOGGMANMNHRK-ZDUSSCGKSA-N 3 1 227.396 1.291 20 0 BDADMP COc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415046147 386532634 /nfs/dbraw/zinc/53/26/34/386532634.db2.gz WXIMKKYSNGQFFB-ITGUQSILSA-N 2 1 218.300 1.003 20 0 BDADMP C[N@@H+](Cc1cc2ccccc2o1)C[C@@H](O)C[NH3+] ZINC000415055457 386537474 /nfs/dbraw/zinc/53/74/74/386537474.db2.gz NBFDACIGMVSTIX-NSHDSACASA-N 2 1 234.299 1.184 20 0 BDADMP C[N@H+](Cc1cc2ccccc2o1)C[C@@H](O)C[NH3+] ZINC000415055457 386537481 /nfs/dbraw/zinc/53/74/81/386537481.db2.gz NBFDACIGMVSTIX-NSHDSACASA-N 2 1 234.299 1.184 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC000415057821 386540080 /nfs/dbraw/zinc/54/00/80/386540080.db2.gz UMDDOGQLHJPRQF-GRYCIOLGSA-N 3 1 227.396 1.338 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC000415057824 386541949 /nfs/dbraw/zinc/54/19/49/386541949.db2.gz UMDDOGQLHJPRQF-UTUOFQBUSA-N 3 1 227.396 1.338 20 0 BDADMP c1cc2c(o1)CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335461694 386542271 /nfs/dbraw/zinc/54/22/71/386542271.db2.gz KTOYPYURWPOXAK-NSHDSACASA-N 2 1 206.289 1.466 20 0 BDADMP C[C@H](CC1CCCCC1)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415064449 386543721 /nfs/dbraw/zinc/54/37/21/386543721.db2.gz CNXNYCCVZWHIKI-TZMCWYRMSA-N 2 1 242.407 1.844 20 0 BDADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC2(C)C)n1 ZINC000063067286 386547195 /nfs/dbraw/zinc/54/71/95/386547195.db2.gz AHMMUPWRGFHEBZ-UHFFFAOYSA-N 2 1 238.335 1.638 20 0 BDADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCC2(C)C)n1 ZINC000063067286 386547201 /nfs/dbraw/zinc/54/72/01/386547201.db2.gz AHMMUPWRGFHEBZ-UHFFFAOYSA-N 2 1 238.335 1.638 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCOC1)C1CCCC1 ZINC000415067821 386547492 /nfs/dbraw/zinc/54/74/92/386547492.db2.gz PXMQTESJLDMTEV-AAEUAGOBSA-N 2 1 226.364 1.520 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H](C[NH3+])C2CCCC2)CC[NH2+]1 ZINC000415065004 386548568 /nfs/dbraw/zinc/54/85/68/386548568.db2.gz LYRGFRDPPDKPFL-BZPMIXESSA-N 3 1 239.407 1.482 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000123634078 386558646 /nfs/dbraw/zinc/55/86/46/386558646.db2.gz HUNCEYZMFAFPGU-UHFFFAOYSA-N 2 1 233.319 1.023 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000414796280 386566013 /nfs/dbraw/zinc/56/60/13/386566013.db2.gz HHFZVYFXGGSTRB-CYBMUJFWSA-N 2 1 230.315 1.390 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000336756354 386566443 /nfs/dbraw/zinc/56/64/43/386566443.db2.gz GYFIOJGUXNWBAC-CYBMUJFWSA-N 2 1 228.380 1.731 20 0 BDADMP Cn1cncc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000267647063 386566622 /nfs/dbraw/zinc/56/66/22/386566622.db2.gz VJFHVKIQZYMVCY-AWEZNQCLSA-N 2 1 245.326 1.586 20 0 BDADMP Cn1cncc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000267647063 386566628 /nfs/dbraw/zinc/56/66/28/386566628.db2.gz VJFHVKIQZYMVCY-AWEZNQCLSA-N 2 1 245.326 1.586 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000414796281 386568107 /nfs/dbraw/zinc/56/81/07/386568107.db2.gz HHFZVYFXGGSTRB-ZDUSSCGKSA-N 2 1 230.315 1.390 20 0 BDADMP C1[C@@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H]1C1CCCCC1 ZINC000415110125 386621823 /nfs/dbraw/zinc/62/18/23/386621823.db2.gz QBMOFHRVWNBZIR-RWMBFGLXSA-N 2 1 208.349 1.907 20 0 BDADMP Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)C[NH3+] ZINC000335496784 386621819 /nfs/dbraw/zinc/62/18/19/386621819.db2.gz NKVSQRTVQGLTLU-ZWNOBZJWSA-N 2 1 204.317 1.919 20 0 BDADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000415104696 386622707 /nfs/dbraw/zinc/62/27/07/386622707.db2.gz LERNMGPIABYQGH-ZNMIVQPWSA-N 2 1 246.354 1.716 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414808457 386624659 /nfs/dbraw/zinc/62/46/59/386624659.db2.gz SYEGBWPCDJQPFR-UHFFFAOYSA-N 2 1 245.330 1.094 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000415124928 386626198 /nfs/dbraw/zinc/62/61/98/386626198.db2.gz KOIQJWZCCLPISE-CMPLNLGQSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000415124928 386626203 /nfs/dbraw/zinc/62/62/03/386626203.db2.gz KOIQJWZCCLPISE-CMPLNLGQSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CO)[C@@H]2C)CC[NH2+]1 ZINC000415133976 386640555 /nfs/dbraw/zinc/64/05/55/386640555.db2.gz DAJKXHBNXUQZON-XJFOESAGSA-N 2 1 240.391 1.467 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCOCC1 ZINC000414812382 386640694 /nfs/dbraw/zinc/64/06/94/386640694.db2.gz KVYSCXZGVGITAB-RYUDHWBXSA-N 2 1 214.353 1.663 20 0 BDADMP CCC(N)(CC)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414812848 386643823 /nfs/dbraw/zinc/64/38/23/386643823.db2.gz SBQHZULQSALDKB-VXGBXAGGSA-N 2 1 227.396 1.482 20 0 BDADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000414814653 386645887 /nfs/dbraw/zinc/64/58/87/386645887.db2.gz VURZBTBLZKVPGO-LBPRGKRZSA-N 3 1 247.386 1.890 20 0 BDADMP C[C@H]([NH3+])c1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000414814653 386645895 /nfs/dbraw/zinc/64/58/95/386645895.db2.gz VURZBTBLZKVPGO-LBPRGKRZSA-N 2 1 247.386 1.890 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1cccnc1 ZINC000414801456 386599815 /nfs/dbraw/zinc/59/98/15/386599815.db2.gz JFTGLZDLCAMSDN-UHFFFAOYSA-N 2 1 207.321 1.689 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]CC2(CCO)CC2)c2ccccc21 ZINC000097817689 386665928 /nfs/dbraw/zinc/66/59/28/386665928.db2.gz IIYJZIFTUBWIKK-KBPBESRZSA-N 2 1 246.354 1.883 20 0 BDADMP C[NH2+]CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000414820703 386673878 /nfs/dbraw/zinc/67/38/78/386673878.db2.gz CUCKKQATFRUUSQ-LBPRGKRZSA-N 2 1 206.333 1.989 20 0 BDADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000414926792 386675324 /nfs/dbraw/zinc/67/53/24/386675324.db2.gz KYANXPBBAVGBEQ-CHWSQXEVSA-N 2 1 240.391 1.781 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](C)Cc1ccccc1OC ZINC000414823725 386681392 /nfs/dbraw/zinc/68/13/92/386681392.db2.gz IXMNQWDJIVNHTL-GFCCVEGCSA-N 2 1 236.359 1.825 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)CO ZINC000292373256 386658945 /nfs/dbraw/zinc/65/89/45/386658945.db2.gz YRAUDLBOEFZDIR-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)CO ZINC000292373256 386658949 /nfs/dbraw/zinc/65/89/49/386658949.db2.gz YRAUDLBOEFZDIR-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCC1 ZINC000324953411 386704774 /nfs/dbraw/zinc/70/47/74/386704774.db2.gz CBZHHGRZNUTUIV-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000520604816 386705297 /nfs/dbraw/zinc/70/52/97/386705297.db2.gz YVXCUWWQPXFQCO-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP C[NH2+]C[C@H](C)CNCc1cnc2ccc(C)cn12 ZINC000414830199 386705540 /nfs/dbraw/zinc/70/55/40/386705540.db2.gz BYBWOHHSIKHKIT-LBPRGKRZSA-N 3 1 246.358 1.588 20 0 BDADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCOCC[NH3+] ZINC000357068169 386707889 /nfs/dbraw/zinc/70/78/89/386707889.db2.gz DKMIEJZDGVGLDH-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000414840573 386739735 /nfs/dbraw/zinc/73/97/35/386739735.db2.gz MMBRQEOOVBTUKV-GHMZBOCLSA-N 2 1 216.394 1.845 20 0 BDADMP C[NH2+]CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414832002 386716048 /nfs/dbraw/zinc/71/60/48/386716048.db2.gz QNEACCHZDQEMGV-UKRRQHHQSA-N 2 1 247.386 1.316 20 0 BDADMP C[NH2+]CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414832000 386718308 /nfs/dbraw/zinc/71/83/08/386718308.db2.gz QNEACCHZDQEMGV-DZGCQCFKSA-N 2 1 247.386 1.316 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cn1cccn1 ZINC000414835729 386728551 /nfs/dbraw/zinc/72/85/51/386728551.db2.gz HPUYEQSCOOZHLK-VXGBXAGGSA-N 2 1 224.352 1.235 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cn1cccn1 ZINC000414835724 386728951 /nfs/dbraw/zinc/72/89/51/386728951.db2.gz HPUYEQSCOOZHLK-NEPJUHHUSA-N 2 1 224.352 1.235 20 0 BDADMP CCN1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414841954 386749319 /nfs/dbraw/zinc/74/93/19/386749319.db2.gz ONFYJGQSAIEXKA-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccnn1C(C)C ZINC000414840775 386752124 /nfs/dbraw/zinc/75/21/24/386752124.db2.gz NGEXQGYTCSUALP-NSHDSACASA-N 2 1 224.352 1.409 20 0 BDADMP CC[C@H](CCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336664686 386763041 /nfs/dbraw/zinc/76/30/41/386763041.db2.gz PHSLEXDPIGUIBP-LLVKDONJSA-N 2 1 226.364 1.364 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000269254244 386767759 /nfs/dbraw/zinc/76/77/59/386767759.db2.gz IXDAMGBEDYEAIH-VHSXEESVSA-N 2 1 248.330 1.214 20 0 BDADMP CCNCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414839305 386741477 /nfs/dbraw/zinc/74/14/77/386741477.db2.gz FWYFSFCYBVOKEW-UTUOFQBUSA-N 2 1 224.348 1.143 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414839305 386741483 /nfs/dbraw/zinc/74/14/83/386741483.db2.gz FWYFSFCYBVOKEW-UTUOFQBUSA-N 2 1 224.348 1.143 20 0 BDADMP CCCN(CC[NH+](C)C)C(=O)C[N@@H+](C)CCC ZINC000344820406 386778428 /nfs/dbraw/zinc/77/84/28/386778428.db2.gz CLYWRZXLOKPOIY-UHFFFAOYSA-N 2 1 243.395 1.128 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414845085 386784584 /nfs/dbraw/zinc/78/45/84/386784584.db2.gz QNHDPKBFEPDPIN-UHFFFAOYSA-N 2 1 236.363 1.778 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071952 386786994 /nfs/dbraw/zinc/78/69/94/386786994.db2.gz CJGSOVHGEHHHSS-OLZOCXBDSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000396601067 386788084 /nfs/dbraw/zinc/78/80/84/386788084.db2.gz AURDGLJZAUVHLZ-DDHJBXDOSA-N 2 1 212.337 1.284 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000300039376 386801709 /nfs/dbraw/zinc/80/17/09/386801709.db2.gz GTXOWTFNCRTIRZ-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC(F)(F)C[NH3+] ZINC000414935356 386807121 /nfs/dbraw/zinc/80/71/21/386807121.db2.gz VMYJUVHWFSPXDP-WDEREUQCSA-N 2 1 249.349 1.481 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000331528722 386864628 /nfs/dbraw/zinc/86/46/28/386864628.db2.gz DAWKCDDJGRJXEC-MGPQQGTHSA-N 2 1 239.407 1.768 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000331528719 386865996 /nfs/dbraw/zinc/86/59/96/386865996.db2.gz DAWKCDDJGRJXEC-MCIONIFRSA-N 2 1 239.407 1.768 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000334832244 386869543 /nfs/dbraw/zinc/86/95/43/386869543.db2.gz AOUVZHWVULXIOK-ITGUQSILSA-N 2 1 202.301 1.302 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCOCC3(CC3)C2)CC[NH2+]1 ZINC000334832928 386870219 /nfs/dbraw/zinc/87/02/19/386870219.db2.gz IVBXPKOTTVGPLC-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1F ZINC000414941583 386887382 /nfs/dbraw/zinc/88/73/82/386887382.db2.gz IYFHXFVVECQTHX-UWVGGRQHSA-N 2 1 210.296 1.694 20 0 BDADMP CC[C@@H](CO)[N@H+](C)CCCn1cc[nH+]c1C ZINC000293915216 386903300 /nfs/dbraw/zinc/90/33/00/386903300.db2.gz OSVOBEAIYZUIHF-LBPRGKRZSA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000293915216 386903305 /nfs/dbraw/zinc/90/33/05/386903305.db2.gz OSVOBEAIYZUIHF-LBPRGKRZSA-N 2 1 225.336 1.284 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(O)cc(F)c2)CC[NH2+]1 ZINC000334871090 386931139 /nfs/dbraw/zinc/93/11/39/386931139.db2.gz XVBPQLZREIEDHQ-CABZTGNLSA-N 2 1 238.306 1.761 20 0 BDADMP CSCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368316511 386958786 /nfs/dbraw/zinc/95/87/86/386958786.db2.gz LCXKRVCYFQHVCF-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CSCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368316511 386958793 /nfs/dbraw/zinc/95/87/93/386958793.db2.gz LCXKRVCYFQHVCF-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CSCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368316511 386958798 /nfs/dbraw/zinc/95/87/98/386958798.db2.gz LCXKRVCYFQHVCF-LBPRGKRZSA-N 2 1 228.405 1.767 20 0 BDADMP CC[NH+](CC)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368352493 386965541 /nfs/dbraw/zinc/96/55/41/386965541.db2.gz SEBALJGUVFHIGH-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000162200458 386977306 /nfs/dbraw/zinc/97/73/06/386977306.db2.gz KMENJHUBIJXLIX-RKDXNWHRSA-N 2 1 225.723 1.909 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1c[nH+]ccc1N ZINC000332435943 386979971 /nfs/dbraw/zinc/97/99/71/386979971.db2.gz IOJSGGRQHFPAQI-XXILOJSOSA-N 2 1 235.331 1.304 20 0 BDADMP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000395205985 386998203 /nfs/dbraw/zinc/99/82/03/386998203.db2.gz ONNBQKKKQUOKAJ-DYEKYZERSA-N 2 1 239.407 1.589 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334978957 387066393 /nfs/dbraw/zinc/06/63/93/387066393.db2.gz DQQNIHVLLITVNW-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334979351 387066615 /nfs/dbraw/zinc/06/66/15/387066615.db2.gz DQQNIHVLLITVNW-VXGBXAGGSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H]2CCC[C@H]21 ZINC000417411849 387046062 /nfs/dbraw/zinc/04/60/62/387046062.db2.gz WXINJUWGHVYFDL-QSLWVIQJSA-N 2 1 238.375 1.362 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000333787271 387056304 /nfs/dbraw/zinc/05/63/04/387056304.db2.gz FOOLIGQSJDYNNB-TUAOUCFPSA-N 2 1 234.347 1.435 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000188676733 387063646 /nfs/dbraw/zinc/06/36/46/387063646.db2.gz MAFHMEBIIJDDJF-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCOC2)CC[NH2+]1 ZINC000398890668 387013138 /nfs/dbraw/zinc/01/31/38/387013138.db2.gz MQLWUQHKMKDAMC-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000126354097 387016179 /nfs/dbraw/zinc/01/61/79/387016179.db2.gz IVEWLYKGGAHAHK-NEPJUHHUSA-N 2 1 249.358 1.581 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCOCC23CC3)CC[NH2+]1 ZINC000334882506 387025639 /nfs/dbraw/zinc/02/56/39/387025639.db2.gz NCAWYJSZACMHER-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)C[C@@H]12 ZINC000359223269 387070813 /nfs/dbraw/zinc/07/08/13/387070813.db2.gz QYZVIOFNJCBZQR-MGPQQGTHSA-N 3 1 237.391 1.045 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334983747 387071537 /nfs/dbraw/zinc/07/15/37/387071537.db2.gz NKVCOHOCKFBTJU-TZMCWYRMSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334983747 387071542 /nfs/dbraw/zinc/07/15/42/387071542.db2.gz NKVCOHOCKFBTJU-TZMCWYRMSA-N 2 1 249.358 1.947 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000126913067 387074833 /nfs/dbraw/zinc/07/48/33/387074833.db2.gz GVHVETQWFJFVQT-RISCZKNCSA-N 2 1 246.354 1.791 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000228329652 387080435 /nfs/dbraw/zinc/08/04/35/387080435.db2.gz DTKCZVSFRLTDMA-LBPRGKRZSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070945372 387086245 /nfs/dbraw/zinc/08/62/45/387086245.db2.gz BHTGYYVBGUBDIO-LBPRGKRZSA-N 2 1 225.380 1.202 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC000334996828 387088311 /nfs/dbraw/zinc/08/83/11/387088311.db2.gz VYUNURGCAHGILO-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473536 387088459 /nfs/dbraw/zinc/08/84/59/387088459.db2.gz KXTCLVAWAKZZGX-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP Oc1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000334997958 387091141 /nfs/dbraw/zinc/09/11/41/387091141.db2.gz JRFRHPBOKPZDED-LBPRGKRZSA-N 2 1 246.354 1.750 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370223178 387098221 /nfs/dbraw/zinc/09/82/21/387098221.db2.gz AUTQXMWVNXMPON-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370223178 387098226 /nfs/dbraw/zinc/09/82/26/387098226.db2.gz AUTQXMWVNXMPON-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)CCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119539728 387142127 /nfs/dbraw/zinc/14/21/27/387142127.db2.gz ZLPXPYNSUMJCRN-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccncc1F ZINC000423307713 387144065 /nfs/dbraw/zinc/14/40/65/387144065.db2.gz NPXGYQSSTJGGDI-BDAKNGLRSA-N 2 1 211.284 1.466 20 0 BDADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423310896 387149582 /nfs/dbraw/zinc/14/95/82/387149582.db2.gz SOJUAPBSTWAODV-YVECIDJPSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423310896 387149585 /nfs/dbraw/zinc/14/95/85/387149585.db2.gz SOJUAPBSTWAODV-YVECIDJPSA-N 3 1 225.380 1.044 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423310896 387149590 /nfs/dbraw/zinc/14/95/90/387149590.db2.gz SOJUAPBSTWAODV-YVECIDJPSA-N 3 1 225.380 1.044 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423317846 387160205 /nfs/dbraw/zinc/16/02/05/387160205.db2.gz YVEHNUSSLFLYGA-FRRDWIJNSA-N 2 1 238.375 1.533 20 0 BDADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423320424 387160831 /nfs/dbraw/zinc/16/08/31/387160831.db2.gz GKGVJPKEKJRYKH-GRYCIOLGSA-N 2 1 228.380 1.763 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000423320053 387161990 /nfs/dbraw/zinc/16/19/90/387161990.db2.gz FAGOLIYDXYXDOG-BFHYXJOUSA-N 2 1 239.407 1.306 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000423320053 387161997 /nfs/dbraw/zinc/16/19/97/387161997.db2.gz FAGOLIYDXYXDOG-BFHYXJOUSA-N 2 1 239.407 1.306 20 0 BDADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423328508 387170867 /nfs/dbraw/zinc/17/08/67/387170867.db2.gz OGICHQWKKOKXDN-ZJUUUORDSA-N 2 1 235.331 1.643 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccncc1 ZINC000423330921 387175722 /nfs/dbraw/zinc/17/57/22/387175722.db2.gz UJZOBTHFBDITPP-QWHCGFSZSA-N 2 1 219.332 1.860 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCCc1cccnc1 ZINC000423336960 387186116 /nfs/dbraw/zinc/18/61/16/387186116.db2.gz UXEBRIJZOOHRKQ-VXGBXAGGSA-N 2 1 221.348 1.730 20 0 BDADMP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000423303248 387137585 /nfs/dbraw/zinc/13/75/85/387137585.db2.gz IPMHPYZBLDWXHN-RKDXNWHRSA-N 2 1 240.303 1.312 20 0 BDADMP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424993 387252558 /nfs/dbraw/zinc/25/25/58/387252558.db2.gz GGMDRNGGILOWOY-BARDWOONSA-N 2 1 228.339 1.790 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000300415645 387207305 /nfs/dbraw/zinc/20/73/05/387207305.db2.gz XTXMTVKUYCCXRQ-XDQVBPFNSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cncs1 ZINC000423357117 387208172 /nfs/dbraw/zinc/20/81/72/387208172.db2.gz HTSJYIMJEBVQGA-NXEZZACHSA-N 2 1 225.361 1.936 20 0 BDADMP CCOC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423359773 387210554 /nfs/dbraw/zinc/21/05/54/387210554.db2.gz PNQPUFPZAPUQDI-UPJWGTAASA-N 2 1 226.364 1.533 20 0 BDADMP C[NH+](C)CCC1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000092381108 387211514 /nfs/dbraw/zinc/21/15/14/387211514.db2.gz IFLSTSJPNXWFFE-UHFFFAOYSA-N 2 1 236.363 1.573 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccnn1C ZINC000423361150 387212706 /nfs/dbraw/zinc/21/27/06/387212706.db2.gz MCVCIAWNJYNEMR-GHMZBOCLSA-N 2 1 222.336 1.213 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000423427123 387252837 /nfs/dbraw/zinc/25/28/37/387252837.db2.gz IEIXUYWTQBLZTN-AGIUHOORSA-N 2 1 227.396 1.624 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)[C@@H]1CCOC1 ZINC000423362096 387213821 /nfs/dbraw/zinc/21/38/21/387213821.db2.gz MSZXRLVPPKLAEJ-QNWHQSFQSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@H+]1C1CC1 ZINC000423364143 387215166 /nfs/dbraw/zinc/21/51/66/387215166.db2.gz ATVSQSNRDRWKBH-YVECIDJPSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CN1C1CC1 ZINC000423364143 387215169 /nfs/dbraw/zinc/21/51/69/387215169.db2.gz ATVSQSNRDRWKBH-YVECIDJPSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000423364705 387215777 /nfs/dbraw/zinc/21/57/77/387215777.db2.gz OXYMJFOMSTUPDF-UPJWGTAASA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423363494 387216720 /nfs/dbraw/zinc/21/67/20/387216720.db2.gz JETCSRWPZIOXDC-NWDGAFQWSA-N 2 1 244.342 1.870 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423367344 387217462 /nfs/dbraw/zinc/21/74/62/387217462.db2.gz MEYLSLJUEXQJBB-NNYUYHANSA-N 2 1 224.348 1.271 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000423366929 387217974 /nfs/dbraw/zinc/21/79/74/387217974.db2.gz LWFDRPCKKUJJGK-GARJFASQSA-N 2 1 222.336 1.341 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366572 387219277 /nfs/dbraw/zinc/21/92/77/387219277.db2.gz XXPFRIXUJOQQSV-YNEHKIRRSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423368056 387221912 /nfs/dbraw/zinc/22/19/12/387221912.db2.gz MWYRAZAVODOAID-UWVGGRQHSA-N 2 1 220.316 1.715 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423373239 387230123 /nfs/dbraw/zinc/23/01/23/387230123.db2.gz WMPYEBJGGBBJDW-WOPDTQHZSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423399676 387234345 /nfs/dbraw/zinc/23/43/45/387234345.db2.gz PTFGYLMGVHHGOD-GWCFXTLKSA-N 2 1 219.332 1.860 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423402571 387237450 /nfs/dbraw/zinc/23/74/50/387237450.db2.gz YLQIHSYYYKTHJD-FRRDWIJNSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336410454 387238939 /nfs/dbraw/zinc/23/89/39/387238939.db2.gz DEUODDCTJJCSQY-MFKMUULPSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416414 387249380 /nfs/dbraw/zinc/24/93/80/387249380.db2.gz CMTBAWWBWFIRAT-XDQVBPFNSA-N 3 1 239.407 1.339 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571921500 387197525 /nfs/dbraw/zinc/19/75/25/387197525.db2.gz WJVLWBQZVLBNTK-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423461965 387311493 /nfs/dbraw/zinc/31/14/93/387311493.db2.gz DAXXMXQLFQRZJO-RNJOBUHISA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+]1C ZINC000423467219 387315282 /nfs/dbraw/zinc/31/52/82/387315282.db2.gz DIGOQQMMMBLXTR-GMTAPVOTSA-N 2 1 247.333 1.056 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000352494770 387262886 /nfs/dbraw/zinc/26/28/86/387262886.db2.gz FOUJJUBAVYMRFI-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423382988 387266536 /nfs/dbraw/zinc/26/65/36/387266536.db2.gz OYNGGDVOYOWKMR-WOPDTQHZSA-N 2 1 213.369 1.057 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000423385051 387267259 /nfs/dbraw/zinc/26/72/59/387267259.db2.gz LKKFGXNNRWZSMM-NDBYEHHHSA-N 2 1 237.391 1.471 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000423385051 387267262 /nfs/dbraw/zinc/26/72/62/387267262.db2.gz LKKFGXNNRWZSMM-NDBYEHHHSA-N 2 1 237.391 1.471 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cn1 ZINC000423387154 387271232 /nfs/dbraw/zinc/27/12/32/387271232.db2.gz HTDYALJWXSGFGK-JFGNBEQYSA-N 2 1 237.322 1.869 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423396016 387280407 /nfs/dbraw/zinc/28/04/07/387280407.db2.gz SWPWMQCLRFBKOH-GWOFURMSSA-N 2 1 200.326 1.140 20 0 BDADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423444585 387295205 /nfs/dbraw/zinc/29/52/05/387295205.db2.gz BCFKNXMMTDFWMJ-NFAWXSAZSA-N 3 1 249.402 1.662 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423447543 387297646 /nfs/dbraw/zinc/29/76/46/387297646.db2.gz ZVCULGLTHOOHBB-HUBLWGQQSA-N 2 1 247.386 1.589 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000160571785 387304201 /nfs/dbraw/zinc/30/42/01/387304201.db2.gz UIPRNJNAECUJFO-NXEZZACHSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@@H](CCC[NH3+])[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423531612 387359111 /nfs/dbraw/zinc/35/91/11/387359111.db2.gz YFWZPPMBROHNOF-GRYCIOLGSA-N 3 1 213.369 1.031 20 0 BDADMP C[C@@H](CCC[NH3+])[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423531612 387359117 /nfs/dbraw/zinc/35/91/17/387359117.db2.gz YFWZPPMBROHNOF-GRYCIOLGSA-N 2 1 213.369 1.031 20 0 BDADMP C[C@@H](CCC[NH3+])[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423531612 387359122 /nfs/dbraw/zinc/35/91/22/387359122.db2.gz YFWZPPMBROHNOF-GRYCIOLGSA-N 2 1 213.369 1.031 20 0 BDADMP COC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C(C)C ZINC000423571379 387379459 /nfs/dbraw/zinc/37/94/59/387379459.db2.gz XKFBRTNCUYXMIR-RYUDHWBXSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H](NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423487929 387334366 /nfs/dbraw/zinc/33/43/66/387334366.db2.gz UVVBHIVKOAHVTH-AGIUHOORSA-N 2 1 225.380 1.249 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000336511084 387335327 /nfs/dbraw/zinc/33/53/27/387335327.db2.gz BVXWAKPANLBBBW-NSHDSACASA-N 2 1 245.330 1.143 20 0 BDADMP C[NH+](C)C[C@@H]1CN([C@H]2CCC(C)(C)C2)CCO1 ZINC000372976855 387339926 /nfs/dbraw/zinc/33/99/26/387339926.db2.gz RSMQSZXAIZAPGI-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cn[nH]c1 ZINC000423498565 387340227 /nfs/dbraw/zinc/34/02/27/387340227.db2.gz IEYSPHDDVLELGL-SKDRFNHKSA-N 2 1 222.336 1.578 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423503916 387341982 /nfs/dbraw/zinc/34/19/82/387341982.db2.gz NEXAQOPJXUJNOO-AAEUAGOBSA-N 3 1 227.396 1.611 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@@H](C[NH3+])C2CCCC2)[C@@H](C)C1 ZINC000423506820 387345434 /nfs/dbraw/zinc/34/54/34/387345434.db2.gz PMSZOCGDTYHYOM-UBHSHLNASA-N 2 1 239.407 1.434 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000643501195 387350148 /nfs/dbraw/zinc/35/01/48/387350148.db2.gz ADKJAZSCQHOZIP-AVGNSLFASA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)CCO1 ZINC000423516928 387351009 /nfs/dbraw/zinc/35/10/09/387351009.db2.gz YICDQTFUOWBOEW-RAIGVLPGSA-N 2 1 226.364 1.661 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501315 387352289 /nfs/dbraw/zinc/35/22/89/387352289.db2.gz CTRBNGRTNXAKOH-AXFHLTTASA-N 2 1 200.326 1.142 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCC[C@@H]1O ZINC000352699400 387442613 /nfs/dbraw/zinc/44/26/13/387442613.db2.gz QRINWZYJSIESRI-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCC[C@@H]1O ZINC000352699400 387442618 /nfs/dbraw/zinc/44/26/18/387442618.db2.gz QRINWZYJSIESRI-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCC[C@@H]1O ZINC000352699400 387442623 /nfs/dbraw/zinc/44/26/23/387442623.db2.gz QRINWZYJSIESRI-AGIUHOORSA-N 2 1 226.364 1.316 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000516044823 387450142 /nfs/dbraw/zinc/45/01/42/387450142.db2.gz UDRUJTVYPKLNKB-JSGCOSHPSA-N 3 1 239.407 1.306 20 0 BDADMP CCN1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000516044823 387450143 /nfs/dbraw/zinc/45/01/43/387450143.db2.gz UDRUJTVYPKLNKB-JSGCOSHPSA-N 2 1 239.407 1.306 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643505534 387451152 /nfs/dbraw/zinc/45/11/52/387451152.db2.gz YTYIZMHTQOKXBF-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCF ZINC000374419698 387452810 /nfs/dbraw/zinc/45/28/10/387452810.db2.gz IWTPLPHUARFGJK-UPJWGTAASA-N 2 1 244.354 1.530 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1([NH3+])CCC1 ZINC000423777090 387421578 /nfs/dbraw/zinc/42/15/78/387421578.db2.gz RDDDVBQRJWQPBH-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC000423776437 387422690 /nfs/dbraw/zinc/42/26/90/387422690.db2.gz QLKMEJPLYWDHTJ-RYUDHWBXSA-N 2 1 243.395 1.079 20 0 BDADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000425364872 387525941 /nfs/dbraw/zinc/52/59/41/387525941.db2.gz ZSKDZBOBSHFZKA-RAIGVLPGSA-N 2 1 240.416 1.954 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)c1cn[nH]c1)C[NH+]1CCCC1 ZINC000310309634 387538343 /nfs/dbraw/zinc/53/83/43/387538343.db2.gz TXFMSDGQXJFXSA-RYUDHWBXSA-N 2 1 236.363 1.792 20 0 BDADMP Cc1ncc(C[NH2+]CCn2cc[nH+]c2C)n1C ZINC000516194627 387472931 /nfs/dbraw/zinc/47/29/31/387472931.db2.gz PHRFTFQNHVFYOO-UHFFFAOYSA-N 2 1 233.319 1.023 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471055 387478247 /nfs/dbraw/zinc/47/82/47/387478247.db2.gz QZSNHBWHQYFBBN-WUHRBBMRSA-N 2 1 226.364 1.125 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)CCO1 ZINC000643507902 387479358 /nfs/dbraw/zinc/47/93/58/387479358.db2.gz VQZGENCRNKKTKA-STQMWFEESA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000374690964 387481517 /nfs/dbraw/zinc/48/15/17/387481517.db2.gz BWLYUMZQSCRCTL-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000374690964 387481519 /nfs/dbraw/zinc/48/15/19/387481519.db2.gz BWLYUMZQSCRCTL-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP C(C[NH2+][C@H]1CC[C@H]1C1CCC1)[NH2+]C1CC1 ZINC000643508018 387481813 /nfs/dbraw/zinc/48/18/13/387481813.db2.gz ZUERLTDYGWSPBI-STQMWFEESA-N 2 1 208.349 1.907 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)O1 ZINC000396708292 387482880 /nfs/dbraw/zinc/48/28/80/387482880.db2.gz OHPGQPVGAYPZDV-ZIQFBCGOSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)[C@H](C)O1 ZINC000396708289 387482975 /nfs/dbraw/zinc/48/29/75/387482975.db2.gz OHPGQPVGAYPZDV-IIRVCBMXSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000123603089 387588427 /nfs/dbraw/zinc/58/84/27/387588427.db2.gz AJIZQNVFCDFVBJ-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000123603089 387588431 /nfs/dbraw/zinc/58/84/31/387588431.db2.gz AJIZQNVFCDFVBJ-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCO2)CC[NH+]1C ZINC000123603089 387588436 /nfs/dbraw/zinc/58/84/36/387588436.db2.gz AJIZQNVFCDFVBJ-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCO2)CC[NH+]1C ZINC000123603089 387588438 /nfs/dbraw/zinc/58/84/38/387588438.db2.gz AJIZQNVFCDFVBJ-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP COC(C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000375934880 387595336 /nfs/dbraw/zinc/59/53/36/387595336.db2.gz XUQOKOQALRFWIK-LLVKDONJSA-N 2 1 230.352 1.021 20 0 BDADMP COC(C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000375934880 387595341 /nfs/dbraw/zinc/59/53/41/387595341.db2.gz XUQOKOQALRFWIK-LLVKDONJSA-N 2 1 230.352 1.021 20 0 BDADMP C[N@@H+](CCn1ccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367217216 387595513 /nfs/dbraw/zinc/59/55/13/387595513.db2.gz KJHPBICNOMPOBB-PBWFPOADSA-N 2 1 248.374 1.440 20 0 BDADMP C[NH+](CCn1ccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367217216 387595517 /nfs/dbraw/zinc/59/55/17/387595517.db2.gz KJHPBICNOMPOBB-PBWFPOADSA-N 2 1 248.374 1.440 20 0 BDADMP C[NH+](CCn1ccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367217216 387595520 /nfs/dbraw/zinc/59/55/20/387595520.db2.gz KJHPBICNOMPOBB-PBWFPOADSA-N 2 1 248.374 1.440 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000422637599 387611063 /nfs/dbraw/zinc/61/10/63/387611063.db2.gz OZXCOXLNWNRUJM-ZOBORPQBSA-N 3 1 239.407 1.291 20 0 BDADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)OCC1CC1 ZINC000422640026 387611370 /nfs/dbraw/zinc/61/13/70/387611370.db2.gz UNQGIBYXWLFYCZ-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCCO1)[C@H]1CCC[NH2+]1 ZINC000422699563 387615267 /nfs/dbraw/zinc/61/52/67/387615267.db2.gz DQQZMEZNALCFDC-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422704763 387620540 /nfs/dbraw/zinc/62/05/40/387620540.db2.gz APYNFQMFAAZUIE-NXEZZACHSA-N 2 1 223.320 1.306 20 0 BDADMP CC[C@@H]([NH2+]CCc1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000422709806 387622197 /nfs/dbraw/zinc/62/21/97/387622197.db2.gz FENOQNDSBXORDG-OLZOCXBDSA-N 2 1 236.363 1.083 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422708583 387623268 /nfs/dbraw/zinc/62/32/68/387623268.db2.gz JHRFNGJUFZOAID-IRCOFANPSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000430537814 387624816 /nfs/dbraw/zinc/62/48/16/387624816.db2.gz HXSOEDTZCCEANX-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305111204 387555945 /nfs/dbraw/zinc/55/59/45/387555945.db2.gz CZMNGSKMQOQLFI-BFHYXJOUSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@H](CCC1CCCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000305126375 387559600 /nfs/dbraw/zinc/55/96/00/387559600.db2.gz LIDSTHSLWRAZKP-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422718270 387630296 /nfs/dbraw/zinc/63/02/96/387630296.db2.gz WVSWJMDQARLFSC-ZDEQEGDKSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000422720978 387633418 /nfs/dbraw/zinc/63/34/18/387633418.db2.gz NARVEVKYKJGRKB-FRRDWIJNSA-N 3 1 227.396 1.434 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000422727873 387636650 /nfs/dbraw/zinc/63/66/50/387636650.db2.gz IICUMGURVIRQKY-SMDDNHRTSA-N 2 1 236.334 1.956 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422732455 387640016 /nfs/dbraw/zinc/64/00/16/387640016.db2.gz PXSLFPIKAPOJOD-PBWFPOADSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N(C)C ZINC000422738127 387645568 /nfs/dbraw/zinc/64/55/68/387645568.db2.gz JFKKLBQDBMCVRH-UTUOFQBUSA-N 2 1 213.369 1.186 20 0 BDADMP C[N@H+](CCOCC1CC1)CC[C@@H]1CCC[NH+]1C ZINC000125208790 387646218 /nfs/dbraw/zinc/64/62/18/387646218.db2.gz AZCNLOLQBGTXKD-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCOCC1CC1)CC[C@@H]1CCC[NH+]1C ZINC000125208790 387646223 /nfs/dbraw/zinc/64/62/23/387646223.db2.gz AZCNLOLQBGTXKD-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCOCC1CC1)CC[C@@H]1CCC[N@@H+]1C ZINC000125208790 387646230 /nfs/dbraw/zinc/64/62/30/387646230.db2.gz AZCNLOLQBGTXKD-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCOCC1CC1)CC[C@@H]1CCC[N@H+]1C ZINC000125208790 387646237 /nfs/dbraw/zinc/64/62/37/387646237.db2.gz AZCNLOLQBGTXKD-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000643518106 387648509 /nfs/dbraw/zinc/64/85/09/387648509.db2.gz FXWRUZRGDMGQTE-SNVBAGLBSA-N 2 1 236.363 1.758 20 0 BDADMP COCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000149255452 387650321 /nfs/dbraw/zinc/65/03/21/387650321.db2.gz XGKDXODWOBUAQE-QWRGUYRKSA-N 2 1 200.326 1.095 20 0 BDADMP CCN(CC)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422749166 387653161 /nfs/dbraw/zinc/65/31/61/387653161.db2.gz XVQLAJUOQMCNEJ-QWHCGFSZSA-N 2 1 227.396 1.306 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422750337 387655697 /nfs/dbraw/zinc/65/56/97/387655697.db2.gz CTWLYAKQRNDCEE-MCIONIFRSA-N 3 1 239.407 1.720 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422750337 387655704 /nfs/dbraw/zinc/65/57/04/387655704.db2.gz CTWLYAKQRNDCEE-MCIONIFRSA-N 3 1 239.407 1.720 20 0 BDADMP CC[N@@H+](CCNC(=O)C1([NH3+])CCCC1)C(C)C ZINC000430900543 387658829 /nfs/dbraw/zinc/65/88/29/387658829.db2.gz QDENPOCGWVQUQY-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP CN(C)c1cc(NC(=O)C(C)(C)C[NH3+])cc[nH+]1 ZINC000430998977 387667263 /nfs/dbraw/zinc/66/72/63/387667263.db2.gz ALHQOUSENANIMM-UHFFFAOYSA-N 2 1 236.319 1.071 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422766495 387667755 /nfs/dbraw/zinc/66/77/55/387667755.db2.gz XLNOHKNVQPXZQI-GUBZILKMSA-N 2 1 202.367 1.326 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000422767779 387668611 /nfs/dbraw/zinc/66/86/11/387668611.db2.gz ROCLQIZQQOQHLI-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1(C)C ZINC000422771513 387669850 /nfs/dbraw/zinc/66/98/50/387669850.db2.gz VSJHGEZXVYEGJO-ZDEQEGDKSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000422777015 387674570 /nfs/dbraw/zinc/67/45/70/387674570.db2.gz BQDBKECDYCIIHR-BXUZGUMPSA-N 2 1 236.334 1.956 20 0 BDADMP CC[C@H](F)CN1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000440711266 387677463 /nfs/dbraw/zinc/67/74/63/387677463.db2.gz INMOKVCCXWHVOB-NEPJUHHUSA-N 2 1 246.370 1.512 20 0 BDADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422780329 387678621 /nfs/dbraw/zinc/67/86/21/387678621.db2.gz CVWIDPZNBWDDET-QNWHQSFQSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000422781735 387680255 /nfs/dbraw/zinc/68/02/55/387680255.db2.gz IZGMVTSKLXFRJU-VXGBXAGGSA-N 3 1 213.369 1.188 20 0 BDADMP COC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000126335454 387680707 /nfs/dbraw/zinc/68/07/07/387680707.db2.gz XMGLFELDYGEDRT-CQSZACIVSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000126362790 387681329 /nfs/dbraw/zinc/68/13/29/387681329.db2.gz OQFXKPBXWNCVBU-TZMCWYRMSA-N 2 1 240.391 1.731 20 0 BDADMP CCOC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000044690633 387691708 /nfs/dbraw/zinc/69/17/08/387691708.db2.gz INOFYHHNEKSBIL-ODWCKFRGSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000643525334 387743539 /nfs/dbraw/zinc/74/35/39/387743539.db2.gz XCNIBFKJNFUTQM-WUHRBBMRSA-N 2 1 226.364 1.674 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CCCO)C1 ZINC000452116640 387744904 /nfs/dbraw/zinc/74/49/04/387744904.db2.gz HAFLWLVAAPJNBT-AWEZNQCLSA-N 2 1 242.407 1.813 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422865255 387746965 /nfs/dbraw/zinc/74/69/65/387746965.db2.gz XLJYWPBHQOPLDY-YNEHKIRRSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422865253 387746992 /nfs/dbraw/zinc/74/69/92/387746992.db2.gz XLJYWPBHQOPLDY-RWMBFGLXSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871386 387749636 /nfs/dbraw/zinc/74/96/36/387749636.db2.gz ZYKKWJFGZYPKMM-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422868787 387750106 /nfs/dbraw/zinc/75/01/06/387750106.db2.gz WBBITIHZVSEVGH-AGIUHOORSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000422873820 387753456 /nfs/dbraw/zinc/75/34/56/387753456.db2.gz BFVOKIRQKHPTGC-RFQIPJPRSA-N 2 1 237.391 1.343 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422878977 387754474 /nfs/dbraw/zinc/75/44/74/387754474.db2.gz LPEDEWGNDTXWPK-UONOGXRCSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422879895 387754772 /nfs/dbraw/zinc/75/47/72/387754772.db2.gz WBSISLKSWHPWSO-RFHZTLPTSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422879895 387754775 /nfs/dbraw/zinc/75/47/75/387754775.db2.gz WBSISLKSWHPWSO-RFHZTLPTSA-N 2 1 237.391 1.186 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000422805743 387705618 /nfs/dbraw/zinc/70/56/18/387705618.db2.gz HHTYTDZCYACAHY-IJLUTSLNSA-N 2 1 228.380 1.778 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422807572 387705961 /nfs/dbraw/zinc/70/59/61/387705961.db2.gz MUHLFBQSLPFIDS-SRVKXCTJSA-N 2 1 214.353 1.388 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCCC2 ZINC000422808623 387708677 /nfs/dbraw/zinc/70/86/77/387708677.db2.gz QLVYJTMSYWWPDI-FRRDWIJNSA-N 2 1 238.375 1.676 20 0 BDADMP COCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422878067 387755217 /nfs/dbraw/zinc/75/52/17/387755217.db2.gz IURDVDTZLMPTFB-MNOVXSKESA-N 2 1 200.326 1.001 20 0 BDADMP CC[NH+](CC)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356739171 387712042 /nfs/dbraw/zinc/71/20/42/387712042.db2.gz JMCGQOIQMWFUKV-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP C[C@H]([NH2+]CCc1cccnc1)c1c[nH+]ccc1N ZINC000422824697 387719766 /nfs/dbraw/zinc/71/97/66/387719766.db2.gz HWOMTAGSPWEKME-NSHDSACASA-N 2 1 242.326 1.782 20 0 BDADMP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422844383 387731895 /nfs/dbraw/zinc/73/18/95/387731895.db2.gz LPJGQHVBZBFONR-SRVKXCTJSA-N 2 1 222.336 1.002 20 0 BDADMP c1cnn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128007670 387732173 /nfs/dbraw/zinc/73/21/73/387732173.db2.gz GDALCKUHQHPTJD-QWHCGFSZSA-N 2 1 234.347 1.100 20 0 BDADMP C[N@@H+](CCn1cccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367606283 387734271 /nfs/dbraw/zinc/73/42/71/387734271.db2.gz VYIHFUQERQJGFT-PBWFPOADSA-N 2 1 248.374 1.440 20 0 BDADMP C[NH+](CCn1cccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367606283 387734280 /nfs/dbraw/zinc/73/42/80/387734280.db2.gz VYIHFUQERQJGFT-PBWFPOADSA-N 2 1 248.374 1.440 20 0 BDADMP C[NH+](CCn1cccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367606283 387734285 /nfs/dbraw/zinc/73/42/85/387734285.db2.gz VYIHFUQERQJGFT-PBWFPOADSA-N 2 1 248.374 1.440 20 0 BDADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128074895 387735830 /nfs/dbraw/zinc/73/58/30/387735830.db2.gz ZMGNWTREFRXLQG-ZIAGYGMSSA-N 2 1 248.374 1.179 20 0 BDADMP C[C@H](CN[C@H]1CCC[C@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422852725 387737322 /nfs/dbraw/zinc/73/73/22/387737322.db2.gz BCBDZBZELMODKG-SYQHCUMBSA-N 2 1 239.407 1.719 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1(C)C ZINC000422852639 387738151 /nfs/dbraw/zinc/73/81/51/387738151.db2.gz QUHJSSYRRIVLQI-WISYIIOYSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000643525993 387756008 /nfs/dbraw/zinc/75/60/08/387756008.db2.gz LUKHDMXZWQLSEX-NXEZZACHSA-N 2 1 236.315 1.456 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000422858606 387741501 /nfs/dbraw/zinc/74/15/01/387741501.db2.gz GPZVDXRVTLXRIV-BEUHCMRWSA-N 2 1 249.402 1.484 20 0 BDADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527544 387766266 /nfs/dbraw/zinc/76/62/66/387766266.db2.gz OIHXSPNHSKNMMI-PRHODGIISA-N 2 1 238.306 1.758 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2F ZINC000643528252 387768444 /nfs/dbraw/zinc/76/84/44/387768444.db2.gz GBPUKWBLYYDYPC-UFBFGSQYSA-N 2 1 208.280 1.750 20 0 BDADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[NH3+])CC2 ZINC000643528419 387769598 /nfs/dbraw/zinc/76/95/98/387769598.db2.gz IZUMROXADHZHLH-ZANVPECISA-N 2 1 220.316 1.619 20 0 BDADMP C[C@H]([NH3+])CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000643528923 387772787 /nfs/dbraw/zinc/77/27/87/387772787.db2.gz QVJVRDCYEFOLPG-VNHYZAJKSA-N 2 1 247.386 1.444 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000422947867 387785093 /nfs/dbraw/zinc/78/50/93/387785093.db2.gz QPPXJGAOHFOMIN-OLZOCXBDSA-N 2 1 238.306 1.674 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422979083 387788450 /nfs/dbraw/zinc/78/84/50/387788450.db2.gz LFFOJALJTORRPE-MJBXVCDLSA-N 2 1 242.407 1.904 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422977312 387789040 /nfs/dbraw/zinc/78/90/40/387789040.db2.gz WQFYUERHUQCIQZ-QWHCGFSZSA-N 3 1 227.396 1.435 20 0 BDADMP CCCC(O)(CCC)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422981602 387793690 /nfs/dbraw/zinc/79/36/90/387793690.db2.gz TWNNBGDXKDSCSR-QWHCGFSZSA-N 2 1 242.407 1.905 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000422986782 387796052 /nfs/dbraw/zinc/79/60/52/387796052.db2.gz HIDZAGVAWDWGBS-VXGBXAGGSA-N 3 1 241.423 1.965 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCSCCCO)CC[N@H+]1C ZINC000151180195 387803727 /nfs/dbraw/zinc/80/37/27/387803727.db2.gz ZDAVWRCUUHIYIW-VXGBXAGGSA-N 2 1 246.420 1.174 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528002906 387807259 /nfs/dbraw/zinc/80/72/59/387807259.db2.gz MVWGJMDZFAIPHQ-GSZZWUTPSA-N 2 1 240.391 1.871 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528002906 387807262 /nfs/dbraw/zinc/80/72/62/387807262.db2.gz MVWGJMDZFAIPHQ-GSZZWUTPSA-N 2 1 240.391 1.871 20 0 BDADMP C[C@H]([NH2+]CCc1ccco1)c1c[nH+]ccc1N ZINC000422964299 387813448 /nfs/dbraw/zinc/81/34/48/387813448.db2.gz LHEGBMRGDJEMOZ-JTQLQIEISA-N 2 1 231.299 1.980 20 0 BDADMP COC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422954070 387809704 /nfs/dbraw/zinc/80/97/04/387809704.db2.gz HFNUZQZOPYRISO-RISCZKNCSA-N 2 1 234.343 1.572 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000422888325 387759114 /nfs/dbraw/zinc/75/91/14/387759114.db2.gz MRAHAVHSCPRMSY-RDBSUJKOSA-N 3 1 241.423 1.966 20 0 BDADMP COCCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000422889244 387759543 /nfs/dbraw/zinc/75/95/43/387759543.db2.gz PDIAXSJZLLOEOP-OLZOCXBDSA-N 2 1 240.391 1.781 20 0 BDADMP CC[N@@H+](CCN[C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422885141 387760392 /nfs/dbraw/zinc/76/03/92/387760392.db2.gz YFPJQLNOBOYSDG-NWDGAFQWSA-N 2 1 215.385 1.432 20 0 BDADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643527007 387760501 /nfs/dbraw/zinc/76/05/01/387760501.db2.gz JSCSWZLSKHABCR-NXEZZACHSA-N 2 1 235.331 1.643 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422887896 387761421 /nfs/dbraw/zinc/76/14/21/387761421.db2.gz LPWKZSLJCCYRNH-RFQIPJPRSA-N 2 1 241.423 1.965 20 0 BDADMP C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1c[nH+]ccc1N ZINC000422975245 387822927 /nfs/dbraw/zinc/82/29/27/387822927.db2.gz GGNSOIOGITZNPK-ZANVPECISA-N 2 1 235.331 1.306 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422975489 387824346 /nfs/dbraw/zinc/82/43/46/387824346.db2.gz GYKWMPOUQVJFKG-GXFFZTMASA-N 2 1 237.347 1.696 20 0 BDADMP C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1c[nH+]ccc1N ZINC000422975243 387824359 /nfs/dbraw/zinc/82/43/59/387824359.db2.gz GGNSOIOGITZNPK-RNCFNFMXSA-N 2 1 235.331 1.306 20 0 BDADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCOC3)CC[NH2+]2)cc1 ZINC000423003223 387825641 /nfs/dbraw/zinc/82/56/41/387825641.db2.gz LCIOSKFRADALRD-KFWWJZLASA-N 2 1 246.354 1.858 20 0 BDADMP CCc1ccc([C@H](CO)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423006504 387829563 /nfs/dbraw/zinc/82/95/63/387829563.db2.gz VNXGXRATJVRCEO-ABAIWWIYSA-N 2 1 248.370 1.480 20 0 BDADMP CCc1ccc([C@@H](CO)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423006505 387830171 /nfs/dbraw/zinc/83/01/71/387830171.db2.gz VNXGXRATJVRCEO-IAQYHMDHSA-N 2 1 248.370 1.480 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2COC2)[C@H]2CCC[C@H]21 ZINC000528026019 387830220 /nfs/dbraw/zinc/83/02/20/387830220.db2.gz IBQJPOQIZXNWPX-FRRDWIJNSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423073903 387873268 /nfs/dbraw/zinc/87/32/68/387873268.db2.gz SONWTBNHXVBDJS-KXNHARMFSA-N 2 1 212.337 1.142 20 0 BDADMP COCC1([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000309613419 387835040 /nfs/dbraw/zinc/83/50/40/387835040.db2.gz CEGFTXSYYPEMEL-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)C[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000442757802 387835486 /nfs/dbraw/zinc/83/54/86/387835486.db2.gz NAOLYCNWXFIFRR-VIFPVBQESA-N 2 1 238.335 1.844 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423016347 387838405 /nfs/dbraw/zinc/83/84/05/387838405.db2.gz MHYCRCKLMKWQAJ-UPJWGTAASA-N 2 1 240.391 1.514 20 0 BDADMP CC(C)CSCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423014708 387839576 /nfs/dbraw/zinc/83/95/76/387839576.db2.gz PPIHMMAHTKZLEE-VXGBXAGGSA-N 2 1 230.421 1.963 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423026488 387843180 /nfs/dbraw/zinc/84/31/80/387843180.db2.gz BJDLEOVGCXKUHN-KXNHARMFSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1nccs1 ZINC000423031428 387845566 /nfs/dbraw/zinc/84/55/66/387845566.db2.gz DHPOWEOLOKVQJG-AXFHLTTASA-N 2 1 239.388 1.834 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@H+]1CCCC(C)(C)C1 ZINC000423073289 387873977 /nfs/dbraw/zinc/87/39/77/387873977.db2.gz ILRJBRDONHMLGS-OLZOCXBDSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CCCC(C)(C)C1 ZINC000423073289 387873983 /nfs/dbraw/zinc/87/39/83/387873983.db2.gz ILRJBRDONHMLGS-OLZOCXBDSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423047209 387856860 /nfs/dbraw/zinc/85/68/60/387856860.db2.gz FVTLSHNTHOKAJQ-WRWGMCAJSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000423046039 387858395 /nfs/dbraw/zinc/85/83/95/387858395.db2.gz DVMOCIBSHOGBOR-SAXRGWBVSA-N 2 1 238.375 1.532 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000235792357 387859764 /nfs/dbraw/zinc/85/97/64/387859764.db2.gz CBTMZVCGBROSMO-OLZOCXBDSA-N 2 1 235.331 1.349 20 0 BDADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]2C1 ZINC000193652687 387860695 /nfs/dbraw/zinc/86/06/95/387860695.db2.gz LQKHYHRAXHNKGA-GASCZTMLSA-N 2 1 246.354 1.172 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2C1 ZINC000193652687 387860699 /nfs/dbraw/zinc/86/06/99/387860699.db2.gz LQKHYHRAXHNKGA-GASCZTMLSA-N 2 1 246.354 1.172 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2C1 ZINC000193652687 387860703 /nfs/dbraw/zinc/86/07/03/387860703.db2.gz LQKHYHRAXHNKGA-GASCZTMLSA-N 2 1 246.354 1.172 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423071864 387871514 /nfs/dbraw/zinc/87/15/14/387871514.db2.gz GCNVRHCNGMCGJL-SGMGOOAPSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478282 387815325 /nfs/dbraw/zinc/81/53/25/387815325.db2.gz RXQODFPKCNOKHP-WFASDCNBSA-N 2 1 248.370 1.309 20 0 BDADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccn1 ZINC000422968363 387816686 /nfs/dbraw/zinc/81/66/86/387816686.db2.gz WNCMUUFBWPQDOE-QWHCGFSZSA-N 2 1 249.358 1.840 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC000648430003 387817854 /nfs/dbraw/zinc/81/78/54/387817854.db2.gz BWAPKXHZBQHZCA-MGPQQGTHSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000442666880 387818906 /nfs/dbraw/zinc/81/89/06/387818906.db2.gz XDXAKVBDOTVARV-IUODEOHRSA-N 2 1 248.370 1.706 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000442666880 387818907 /nfs/dbraw/zinc/81/89/07/387818907.db2.gz XDXAKVBDOTVARV-IUODEOHRSA-N 2 1 248.370 1.706 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422969014 387818909 /nfs/dbraw/zinc/81/89/09/387818909.db2.gz YLRVKPQLJIZMKN-STQMWFEESA-N 2 1 249.358 1.840 20 0 BDADMP C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423093102 387882108 /nfs/dbraw/zinc/88/21/08/387882108.db2.gz FTZNEKZNZVBJEB-AVGNSLFASA-N 2 1 242.407 1.904 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1c[nH+]ccc1N ZINC000423102484 387888756 /nfs/dbraw/zinc/88/87/56/387888756.db2.gz FIGMIYLCCFYRTA-SDDRHHMPSA-N 2 1 249.358 1.817 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000423141627 387917986 /nfs/dbraw/zinc/91/79/86/387917986.db2.gz QZPVLNAPSKRJNP-SRVKXCTJSA-N 2 1 214.353 1.532 20 0 BDADMP COc1ncccc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423141759 387918857 /nfs/dbraw/zinc/91/88/57/387918857.db2.gz RPSWPSZQWLADSO-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCCCO)CC[N@H+]1C ZINC000158101399 387899143 /nfs/dbraw/zinc/89/91/43/387899143.db2.gz BUQQEEWUMNJXES-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP COc1ccncc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423125877 387904667 /nfs/dbraw/zinc/90/46/67/387904667.db2.gz IGYWWYLQCGXZAI-YPMHNXCESA-N 2 1 249.358 1.568 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH2+]CC1 ZINC000423133264 387909269 /nfs/dbraw/zinc/90/92/69/387909269.db2.gz COPDCPQEOUARPZ-LBPRGKRZSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)CC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423135799 387913470 /nfs/dbraw/zinc/91/34/70/387913470.db2.gz ULHAEWJVCDEZGN-RTXFEEFZSA-N 2 1 226.364 1.268 20 0 BDADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423137595 387914616 /nfs/dbraw/zinc/91/46/16/387914616.db2.gz IGBXAFRIESQMCF-CHWSQXEVSA-N 3 1 229.412 1.824 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423137595 387914619 /nfs/dbraw/zinc/91/46/19/387914619.db2.gz IGBXAFRIESQMCF-CHWSQXEVSA-N 3 1 229.412 1.824 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423138133 387915895 /nfs/dbraw/zinc/91/58/95/387915895.db2.gz SFISURFLESHJRL-DTWKUNHWSA-N 2 1 225.336 1.761 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423139459 387916480 /nfs/dbraw/zinc/91/64/80/387916480.db2.gz KTNVFEDCEVRGQQ-AGIUHOORSA-N 2 1 229.412 1.822 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1c[nH+]ccc1N ZINC000423150745 387930362 /nfs/dbraw/zinc/93/03/62/387930362.db2.gz CEVCLSLMVTYSDM-GYSYKLTISA-N 2 1 249.358 1.696 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000423167334 387951799 /nfs/dbraw/zinc/95/17/99/387951799.db2.gz SCSRSGMHLPTSDF-KGYLQXTDSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H](NCC[N@@H+]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000392322591 387954261 /nfs/dbraw/zinc/95/42/61/387954261.db2.gz VYAZSJHQDCRTKM-ZIAGYGMSSA-N 2 1 237.391 1.369 20 0 BDADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000423171025 387956030 /nfs/dbraw/zinc/95/60/30/387956030.db2.gz NDWQKCIMTVEVIQ-WCQYABFASA-N 2 1 236.363 1.510 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423159192 387938489 /nfs/dbraw/zinc/93/84/89/387938489.db2.gz FMXWBBOJVKKYCJ-FRRDWIJNSA-N 2 1 226.364 1.268 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000423158550 387938538 /nfs/dbraw/zinc/93/85/38/387938538.db2.gz OCEKQRBEDFNOIZ-GHMZBOCLSA-N 2 1 249.362 1.289 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000423159532 387942154 /nfs/dbraw/zinc/94/21/54/387942154.db2.gz FVAANBORBWGHCV-RNJOBUHISA-N 2 1 226.364 1.674 20 0 BDADMP COc1cccnc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423162066 387942860 /nfs/dbraw/zinc/94/28/60/387942860.db2.gz KEXJZZHYFRDZRH-UWVGGRQHSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1c[nH+]ccc1N ZINC000423161232 387943263 /nfs/dbraw/zinc/94/32/63/387943263.db2.gz RSSBUVDVDJUGCC-VHSXEESVSA-N 2 1 237.347 1.694 20 0 BDADMP COc1cccnc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423162065 387944526 /nfs/dbraw/zinc/94/45/26/387944526.db2.gz KEXJZZHYFRDZRH-NXEZZACHSA-N 2 1 223.320 1.306 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2=CCCC2)C1 ZINC000645802326 387945198 /nfs/dbraw/zinc/94/51/98/387945198.db2.gz CSBJDWWEPDRLOP-CYBMUJFWSA-N 2 1 208.349 1.980 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645802427 387946377 /nfs/dbraw/zinc/94/63/77/387946377.db2.gz MVTPCVHTVDMUBU-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423163527 387946504 /nfs/dbraw/zinc/94/65/04/387946504.db2.gz VSNNVJURVKXQOW-MXWKQRLJSA-N 2 1 214.353 1.124 20 0 BDADMP COc1cccnc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423165772 387947437 /nfs/dbraw/zinc/94/74/37/387947437.db2.gz QHOIBGXOXYUQHE-NEPJUHHUSA-N 2 1 249.358 1.697 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000423166715 387950605 /nfs/dbraw/zinc/95/06/05/387950605.db2.gz VYFYYFWGQGVNBU-CMPLNLGQSA-N 2 1 237.347 1.844 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423178348 387964819 /nfs/dbraw/zinc/96/48/19/387964819.db2.gz BVJVMTDATMIFSE-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000423180476 387965419 /nfs/dbraw/zinc/96/54/19/387965419.db2.gz DYJPYWUVRHCKHM-YIYPIFLZSA-N 2 1 237.391 1.201 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000423179878 387965868 /nfs/dbraw/zinc/96/58/68/387965868.db2.gz MRUGVSCJBKOMFX-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1C[C@@H](C)[C@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000423179878 387965870 /nfs/dbraw/zinc/96/58/70/387965870.db2.gz MRUGVSCJBKOMFX-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP C1CC([C@H]2CC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423185396 387969913 /nfs/dbraw/zinc/96/99/13/387969913.db2.gz JFIFRYGEGJYWTD-UPJWGTAASA-N 2 1 208.349 1.907 20 0 BDADMP C1CC([C@H]2CC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423185395 387970464 /nfs/dbraw/zinc/97/04/64/387970464.db2.gz JFIFRYGEGJYWTD-JHJVBQTASA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H]1CSCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245683573 387971830 /nfs/dbraw/zinc/97/18/30/387971830.db2.gz URJKUOIPASQPNQ-NWDGAFQWSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H]1CSCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245683573 387971834 /nfs/dbraw/zinc/97/18/34/387971834.db2.gz URJKUOIPASQPNQ-NWDGAFQWSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H]1CSCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245683573 387971839 /nfs/dbraw/zinc/97/18/39/387971839.db2.gz URJKUOIPASQPNQ-NWDGAFQWSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H]1CSCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245683573 387971845 /nfs/dbraw/zinc/97/18/45/387971845.db2.gz URJKUOIPASQPNQ-NWDGAFQWSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423170322 387957725 /nfs/dbraw/zinc/95/77/25/387957725.db2.gz LPGAUAPLKRVLMD-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP COC(=O)c1coc([C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000423197435 387981571 /nfs/dbraw/zinc/98/15/71/387981571.db2.gz ZJTKEDQKNIFNMG-MRVPVSSYSA-N 2 1 226.276 1.066 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCOC1 ZINC000245697967 387972645 /nfs/dbraw/zinc/97/26/45/387972645.db2.gz XDQHLDHDYZSLRV-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000245697967 387972649 /nfs/dbraw/zinc/97/26/49/387972649.db2.gz XDQHLDHDYZSLRV-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCOC1 ZINC000245697967 387972653 /nfs/dbraw/zinc/97/26/53/387972653.db2.gz XDQHLDHDYZSLRV-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370508 387993919 /nfs/dbraw/zinc/99/39/19/387993919.db2.gz DLLBNDZLCGKFAH-ZWKOPEQDSA-N 2 1 236.363 1.649 20 0 BDADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[NH3+] ZINC000423196098 387982521 /nfs/dbraw/zinc/98/25/21/387982521.db2.gz YUYBAWOVVGIMDU-CYBMUJFWSA-N 2 1 240.322 1.322 20 0 BDADMP CC(C)[C@@H](Cn1cccn1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423197310 387982535 /nfs/dbraw/zinc/98/25/35/387982535.db2.gz YWEYOPPWZXXKPK-QWHCGFSZSA-N 2 1 236.363 1.249 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423198353 387983598 /nfs/dbraw/zinc/98/35/98/387983598.db2.gz FKSLGZKCKLCGIK-CYBMUJFWSA-N 2 1 237.322 1.871 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423198354 387983825 /nfs/dbraw/zinc/98/38/25/387983825.db2.gz FKSLGZKCKLCGIK-ZDUSSCGKSA-N 2 1 237.322 1.871 20 0 BDADMP COC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423216088 387998107 /nfs/dbraw/zinc/99/81/07/387998107.db2.gz PJVSDQLNOBWRPF-NWDGAFQWSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(C)C ZINC000423230019 388014688 /nfs/dbraw/zinc/01/46/88/388014688.db2.gz CNRFNFXHRGIONG-JHJVBQTASA-N 2 1 240.391 1.920 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423231193 388017155 /nfs/dbraw/zinc/01/71/55/388017155.db2.gz GCBXQTPZLFXCPW-MELADBBJSA-N 2 1 240.391 1.781 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000156775924 388032662 /nfs/dbraw/zinc/03/26/62/388032662.db2.gz QCHXHZYLZIVIHD-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156775924 388032665 /nfs/dbraw/zinc/03/26/65/388032665.db2.gz QCHXHZYLZIVIHD-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156775924 388032668 /nfs/dbraw/zinc/03/26/68/388032668.db2.gz QCHXHZYLZIVIHD-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP COCCC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423258343 388038649 /nfs/dbraw/zinc/03/86/49/388038649.db2.gz BJBXNQVZERFSCJ-NEPJUHHUSA-N 2 1 216.369 1.765 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccn(C)n1 ZINC000423264564 388042586 /nfs/dbraw/zinc/04/25/86/388042586.db2.gz ABLVCBIRJFAEGR-LOWVWBTDSA-N 2 1 236.363 1.588 20 0 BDADMP COC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000423263456 388042943 /nfs/dbraw/zinc/04/29/43/388042943.db2.gz OKESIXIEFPORSE-ZIAGYGMSSA-N 2 1 240.391 1.909 20 0 BDADMP CNC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423265451 388043440 /nfs/dbraw/zinc/04/34/40/388043440.db2.gz RCMJRQPTNSKTIZ-ZYHUDNBSSA-N 2 1 241.379 1.008 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@H]2CCC[C@H]21 ZINC000453278688 388031892 /nfs/dbraw/zinc/03/18/92/388031892.db2.gz HZNYEXNYTPONCJ-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H](NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423272306 388051902 /nfs/dbraw/zinc/05/19/02/388051902.db2.gz JUOMCJIJPVSXPK-FRRDWIJNSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423274695 388054825 /nfs/dbraw/zinc/05/48/25/388054825.db2.gz KUEURNKSHIPLRJ-NNYUYHANSA-N 3 1 213.369 1.219 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(C)C ZINC000423275345 388056185 /nfs/dbraw/zinc/05/61/85/388056185.db2.gz LSIAIVGIBJXARI-YNEHKIRRSA-N 2 1 240.391 1.905 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423278579 388060442 /nfs/dbraw/zinc/06/04/42/388060442.db2.gz QWQIYTSIQSUZRF-UHTWSYAYSA-N 2 1 225.380 1.042 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423278579 388060444 /nfs/dbraw/zinc/06/04/44/388060444.db2.gz QWQIYTSIQSUZRF-UHTWSYAYSA-N 2 1 225.380 1.042 20 0 BDADMP C[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000447300892 388061127 /nfs/dbraw/zinc/06/11/27/388061127.db2.gz ZTIRLWFDOUUWTF-RYUDHWBXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1c[nH+]ccc1N ZINC000423283968 388066562 /nfs/dbraw/zinc/06/65/62/388066562.db2.gz XVBQHBPIWLMFBR-NWDGAFQWSA-N 3 1 248.374 1.534 20 0 BDADMP CCc1cc(NC[C@@H]2CCC[NH2+]2)nc(C)[nH+]1 ZINC000084082126 388070343 /nfs/dbraw/zinc/07/03/43/388070343.db2.gz LXLYDCLSJPBZIM-NSHDSACASA-N 2 1 220.320 1.511 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402157 388073808 /nfs/dbraw/zinc/07/38/08/388073808.db2.gz NFHWAJPWTHVYBZ-NWDGAFQWSA-N 2 1 228.380 1.874 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084217732 388074859 /nfs/dbraw/zinc/07/48/59/388074859.db2.gz LFLTUDLEJGFMHY-CHWSQXEVSA-N 3 1 227.396 1.435 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000084218090 388075763 /nfs/dbraw/zinc/07/57/63/388075763.db2.gz MIPFEITWWJWLJV-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP CC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336658591 388078642 /nfs/dbraw/zinc/07/86/42/388078642.db2.gz BCMDQGPRQHRLHA-ZYHUDNBSSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336658591 388078645 /nfs/dbraw/zinc/07/86/45/388078645.db2.gz BCMDQGPRQHRLHA-ZYHUDNBSSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336658591 388078648 /nfs/dbraw/zinc/07/86/48/388078648.db2.gz BCMDQGPRQHRLHA-ZYHUDNBSSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336658591 388078651 /nfs/dbraw/zinc/07/86/51/388078651.db2.gz BCMDQGPRQHRLHA-ZYHUDNBSSA-N 2 1 214.353 1.172 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCOC[C@@H]1C ZINC000423296500 388078822 /nfs/dbraw/zinc/07/88/22/388078822.db2.gz HCACCNWPDCZARO-TUAOUCFPSA-N 2 1 214.353 1.519 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000423298224 388079524 /nfs/dbraw/zinc/07/95/24/388079524.db2.gz NRVCNWSCHPCZNY-TUAOUCFPSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000423297442 388080365 /nfs/dbraw/zinc/08/03/65/388080365.db2.gz KHABEBVMUFKHLK-GHMZBOCLSA-N 2 1 246.358 1.819 20 0 BDADMP CN(C)c1nc(NCC2CC[NH+](C)CC2)cc[nH+]1 ZINC000085431536 388089117 /nfs/dbraw/zinc/08/91/17/388089117.db2.gz YAYRFVAXPSYHDM-UHFFFAOYSA-N 2 1 249.362 1.296 20 0 BDADMP C[C@@H](O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000118946342 388099799 /nfs/dbraw/zinc/09/97/99/388099799.db2.gz JBTDPOFJKGJVML-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336661427 388104499 /nfs/dbraw/zinc/10/44/99/388104499.db2.gz CCYYFKCLCVCEQI-CHWSQXEVSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000488444457 388179134 /nfs/dbraw/zinc/17/91/34/388179134.db2.gz HTPACOBWSKPWFF-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000488444454 388179181 /nfs/dbraw/zinc/17/91/81/388179181.db2.gz HTPACOBWSKPWFF-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000488563655 388185879 /nfs/dbraw/zinc/18/58/79/388185879.db2.gz UICLTXYYFLQEQL-FDYHWXHSSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000488563655 388185882 /nfs/dbraw/zinc/18/58/82/388185882.db2.gz UICLTXYYFLQEQL-FDYHWXHSSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000488563655 388185883 /nfs/dbraw/zinc/18/58/83/388185883.db2.gz UICLTXYYFLQEQL-FDYHWXHSSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000488563655 388185885 /nfs/dbraw/zinc/18/58/85/388185885.db2.gz UICLTXYYFLQEQL-FDYHWXHSSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H](Cc1[nH]cc[nH+]1)OCC1CC[NH2+]CC1 ZINC000646070841 388136669 /nfs/dbraw/zinc/13/66/69/388136669.db2.gz CHKQASFTPLVIPV-SNVBAGLBSA-N 2 1 223.320 1.357 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104926 388143242 /nfs/dbraw/zinc/14/32/42/388143242.db2.gz WDZLSTVEOGDDPN-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]CCC ZINC000449119808 388145166 /nfs/dbraw/zinc/14/51/66/388145166.db2.gz BAKWNUGKCYPQEK-LBPRGKRZSA-N 2 1 243.395 1.223 20 0 BDADMP Cc1c[nH]nc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449527960 388224978 /nfs/dbraw/zinc/22/49/78/388224978.db2.gz MFTXPTOJCBKOTP-UHFFFAOYSA-N 2 1 238.379 1.928 20 0 BDADMP C[C@@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000449558149 388230272 /nfs/dbraw/zinc/23/02/72/388230272.db2.gz WCDHLTYOIBGRKE-AVGNSLFASA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)O)CC1 ZINC000164565163 388240195 /nfs/dbraw/zinc/24/01/95/388240195.db2.gz YPXLGLUBVXMZIN-QWRGUYRKSA-N 2 1 214.353 1.220 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1COCC1(C)C ZINC000451816368 388298454 /nfs/dbraw/zinc/29/84/54/388298454.db2.gz YSFDUJUUYDWAHU-GFCCVEGCSA-N 2 1 237.347 1.596 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000646453933 388361237 /nfs/dbraw/zinc/36/12/37/388361237.db2.gz NIQVVCKELBGZRW-NSHDSACASA-N 2 1 243.395 1.350 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC[N@H+]1C ZINC000163719698 388366708 /nfs/dbraw/zinc/36/67/08/388366708.db2.gz HIAMMBXPBMBMSD-RYUDHWBXSA-N 2 1 228.380 1.874 20 0 BDADMP COC1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000228292468 388381707 /nfs/dbraw/zinc/38/17/07/388381707.db2.gz YIJYBQHOMCOFGD-GFJIZPEISA-N 2 1 240.391 1.874 20 0 BDADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000228292468 388381709 /nfs/dbraw/zinc/38/17/09/388381709.db2.gz YIJYBQHOMCOFGD-GFJIZPEISA-N 2 1 240.391 1.874 20 0 BDADMP Cc1oncc1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000572852741 388382039 /nfs/dbraw/zinc/38/20/39/388382039.db2.gz LNKMYVDMQBAFLP-NSHDSACASA-N 2 1 246.314 1.706 20 0 BDADMP [NH3+]C[C@@H]1CN(c2cc[nH+]cc2Cl)CCCO1 ZINC000313344296 388392077 /nfs/dbraw/zinc/39/20/77/388392077.db2.gz FVTZECXOWUNFFQ-SECBINFHSA-N 2 1 241.722 1.289 20 0 BDADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000322653812 388442737 /nfs/dbraw/zinc/44/27/37/388442737.db2.gz YGNCBULPZXMSTR-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)COCC1 ZINC000336596080 388458745 /nfs/dbraw/zinc/45/87/45/388458745.db2.gz AENXCVRYCUGLAC-KGLIPLIRSA-N 2 1 236.359 1.550 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)COCC1 ZINC000336596080 388458746 /nfs/dbraw/zinc/45/87/46/388458746.db2.gz AENXCVRYCUGLAC-KGLIPLIRSA-N 2 1 236.359 1.550 20 0 BDADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000336730395 388471582 /nfs/dbraw/zinc/47/15/82/388471582.db2.gz DPJJVWMVKODLCA-RYUDHWBXSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC[NH3+] ZINC000307596969 388424805 /nfs/dbraw/zinc/42/48/05/388424805.db2.gz MYWILWJLRKCTRR-TZMCWYRMSA-N 2 1 233.359 1.055 20 0 BDADMP CC1(C)OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336888321 388429407 /nfs/dbraw/zinc/42/94/07/388429407.db2.gz FFIIVFFWQNUEOZ-AVGNSLFASA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393578949 388434253 /nfs/dbraw/zinc/43/42/53/388434253.db2.gz DJADZCGQBBLDGM-VXGBXAGGSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356256 388435789 /nfs/dbraw/zinc/43/57/89/388435789.db2.gz DZTXOPYLKIFFRG-YPMHNXCESA-N 2 1 238.375 1.770 20 0 BDADMP Cn1nccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246080132 388437905 /nfs/dbraw/zinc/43/79/05/388437905.db2.gz HVAOTPJOSSPAMR-JSGCOSHPSA-N 2 1 248.374 1.336 20 0 BDADMP Cn1nccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246080126 388438207 /nfs/dbraw/zinc/43/82/07/388438207.db2.gz HVAOTPJOSSPAMR-GXTWGEPZSA-N 2 1 248.374 1.336 20 0 BDADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353625290 388542633 /nfs/dbraw/zinc/54/26/33/388542633.db2.gz FXUDARNSPPVKCO-QWHCGFSZSA-N 2 1 234.347 1.169 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1C ZINC000397779601 388498603 /nfs/dbraw/zinc/49/86/03/388498603.db2.gz NZXHGQHHFYTODM-NAWOPXAZSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+]1C ZINC000397779601 388498604 /nfs/dbraw/zinc/49/86/04/388498604.db2.gz NZXHGQHHFYTODM-NAWOPXAZSA-N 2 1 208.349 1.857 20 0 BDADMP Cc1ccncc1C[NH+]1CCC([NH3+])CC1 ZINC000135498522 388498774 /nfs/dbraw/zinc/49/87/74/388498774.db2.gz WUYFGFGIFKRULS-UHFFFAOYSA-N 2 1 205.305 1.313 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000344289586 388506227 /nfs/dbraw/zinc/50/62/27/388506227.db2.gz LFMOXWRFXKNHCB-LBPRGKRZSA-N 2 1 248.374 1.816 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000346692073 388520664 /nfs/dbraw/zinc/52/06/64/388520664.db2.gz XOWKRBIQZZHNJA-VXGBXAGGSA-N 2 1 249.358 1.581 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000516921189 388525000 /nfs/dbraw/zinc/52/50/00/388525000.db2.gz JHULSIHMJJOJQI-HUUCEWRRSA-N 2 1 245.370 1.720 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000348287046 388527935 /nfs/dbraw/zinc/52/79/35/388527935.db2.gz AODSXCBUTHXJCL-RFQIPJPRSA-N 2 1 242.407 1.569 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000348757724 388528412 /nfs/dbraw/zinc/52/84/12/388528412.db2.gz WRKONDVDICNADT-CHWSQXEVSA-N 2 1 240.391 1.469 20 0 BDADMP COCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000136310677 388530462 /nfs/dbraw/zinc/53/04/62/388530462.db2.gz KMCGDHFLBKHYQY-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP COCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136310677 388530464 /nfs/dbraw/zinc/53/04/64/388530464.db2.gz KMCGDHFLBKHYQY-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP C/C(Cl)=C/C[N@H+]1CCc2nc[nH]c2C1 ZINC000528507207 388537005 /nfs/dbraw/zinc/53/70/05/388537005.db2.gz WKEZQMPIPMPAQV-WAPJZHGLSA-N 2 1 211.696 1.910 20 0 BDADMP C/C(Cl)=C/CN1CCc2nc[nH]c2C1 ZINC000528507207 388537007 /nfs/dbraw/zinc/53/70/07/388537007.db2.gz WKEZQMPIPMPAQV-WAPJZHGLSA-N 2 1 211.696 1.910 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CCCF)CC1 ZINC000137075903 388556080 /nfs/dbraw/zinc/55/60/80/388556080.db2.gz HEYWKIZQAOEXDL-UHFFFAOYSA-N 2 1 202.317 1.808 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000528757995 388567510 /nfs/dbraw/zinc/56/75/10/388567510.db2.gz DNAZBQWXDKXHNG-PDWCTOEPSA-N 2 1 240.391 1.872 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)COC)C1 ZINC000245452858 388580134 /nfs/dbraw/zinc/58/01/34/388580134.db2.gz QSLVCISOSCMGOI-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC000245452858 388580135 /nfs/dbraw/zinc/58/01/35/388580135.db2.gz QSLVCISOSCMGOI-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC000245452858 388580137 /nfs/dbraw/zinc/58/01/37/388580137.db2.gz QSLVCISOSCMGOI-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CCn1nccc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000125213406 388669008 /nfs/dbraw/zinc/66/90/08/388669008.db2.gz PDGPGVJLGHVJDF-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1nccc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000125213406 388669011 /nfs/dbraw/zinc/66/90/11/388669011.db2.gz PDGPGVJLGHVJDF-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC000246245020 388625626 /nfs/dbraw/zinc/62/56/26/388625626.db2.gz SEYQZIOBZCKIPZ-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC000246245020 388625628 /nfs/dbraw/zinc/62/56/28/388625628.db2.gz SEYQZIOBZCKIPZ-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218541 388631892 /nfs/dbraw/zinc/63/18/92/388631892.db2.gz WRXQDPWYOMBWLD-RYUDHWBXSA-N 2 1 234.347 1.146 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@H+]1C ZINC000530222761 388634521 /nfs/dbraw/zinc/63/45/21/388634521.db2.gz RLYCTXTYNUNXGK-FRRDWIJNSA-N 2 1 237.391 1.343 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000521858915 388634835 /nfs/dbraw/zinc/63/48/35/388634835.db2.gz BGCLEAPTXUDKMB-MCIONIFRSA-N 3 1 239.407 1.496 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000521858914 388634840 /nfs/dbraw/zinc/63/48/40/388634840.db2.gz BGCLEAPTXUDKMB-BFHYXJOUSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@@H]1CC(F)(F)CC[N@H+]1CCOCC[NH3+] ZINC000530232449 388636560 /nfs/dbraw/zinc/63/65/60/388636560.db2.gz PNLNRXZJLFKQLV-SECBINFHSA-N 2 1 222.279 1.081 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246999563 388656557 /nfs/dbraw/zinc/65/65/57/388656557.db2.gz KPBMKOMEARGXFF-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246999563 388656559 /nfs/dbraw/zinc/65/65/59/388656559.db2.gz KPBMKOMEARGXFF-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246999563 388656562 /nfs/dbraw/zinc/65/65/62/388656562.db2.gz KPBMKOMEARGXFF-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246999563 388656564 /nfs/dbraw/zinc/65/65/64/388656564.db2.gz KPBMKOMEARGXFF-MJBXVCDLSA-N 3 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246999563 388656566 /nfs/dbraw/zinc/65/65/66/388656566.db2.gz KPBMKOMEARGXFF-MJBXVCDLSA-N 3 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246999563 388656568 /nfs/dbraw/zinc/65/65/68/388656568.db2.gz KPBMKOMEARGXFF-MJBXVCDLSA-N 3 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246999563 388656571 /nfs/dbraw/zinc/65/65/71/388656571.db2.gz KPBMKOMEARGXFF-MJBXVCDLSA-N 3 1 239.407 1.401 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249847857 388734773 /nfs/dbraw/zinc/73/47/73/388734773.db2.gz ORFFOZQDTCDUIT-MCIONIFRSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249847857 388734774 /nfs/dbraw/zinc/73/47/74/388734774.db2.gz ORFFOZQDTCDUIT-MCIONIFRSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@@H](C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249950322 388735669 /nfs/dbraw/zinc/73/56/69/388735669.db2.gz VBJPMPNBESIIGU-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP COC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000249950322 388735672 /nfs/dbraw/zinc/73/56/72/388735672.db2.gz VBJPMPNBESIIGU-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000249950322 388735673 /nfs/dbraw/zinc/73/56/73/388735673.db2.gz VBJPMPNBESIIGU-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128132826 388738635 /nfs/dbraw/zinc/73/86/35/388738635.db2.gz QXBIWPIMCXRVQO-WOPDTQHZSA-N 2 1 214.353 1.220 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000227369491 388748975 /nfs/dbraw/zinc/74/89/75/388748975.db2.gz PCXMDSXROJLMMW-KCJUWKMLSA-N 2 1 223.320 1.603 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000227369491 388748977 /nfs/dbraw/zinc/74/89/77/388748977.db2.gz PCXMDSXROJLMMW-KCJUWKMLSA-N 2 1 223.320 1.603 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000248988735 388703612 /nfs/dbraw/zinc/70/36/12/388703612.db2.gz FMKXEJQQRWZMNJ-IGQOVBAYSA-N 2 1 238.375 1.770 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000249121419 388709443 /nfs/dbraw/zinc/70/94/43/388709443.db2.gz WXRMCCXGSCPLEA-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@H](C)C1 ZINC000552576455 388728563 /nfs/dbraw/zinc/72/85/63/388728563.db2.gz XXCKJDQECAIBHG-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccnc1 ZINC000128929643 388804442 /nfs/dbraw/zinc/80/44/42/388804442.db2.gz UWNTXNVPEVMXSD-OCCSQVGLSA-N 2 1 233.359 1.554 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000252711221 388771979 /nfs/dbraw/zinc/77/19/79/388771979.db2.gz IXEHOWZMMIOBNJ-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000252711221 388771983 /nfs/dbraw/zinc/77/19/83/388771983.db2.gz IXEHOWZMMIOBNJ-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000252709491 388773942 /nfs/dbraw/zinc/77/39/42/388773942.db2.gz CZRYIQJPTUKPFP-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000252709491 388773945 /nfs/dbraw/zinc/77/39/45/388773945.db2.gz CZRYIQJPTUKPFP-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000252709491 388773949 /nfs/dbraw/zinc/77/39/49/388773949.db2.gz CZRYIQJPTUKPFP-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129460247 388844332 /nfs/dbraw/zinc/84/43/32/388844332.db2.gz VWVQUVDJXWYFRJ-VXGBXAGGSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@H]1C[C@H](NCCC[NH+](C)C)CC[N@H+]1C ZINC000129553483 388851387 /nfs/dbraw/zinc/85/13/87/388851387.db2.gz XSCJRQGGNYXKLC-NWDGAFQWSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129588999 388855415 /nfs/dbraw/zinc/85/54/15/388855415.db2.gz VEIMBFKICSQDQR-CHWSQXEVSA-N 2 1 227.396 1.401 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000129683299 388865152 /nfs/dbraw/zinc/86/51/52/388865152.db2.gz XHVBYHSOUQQFBS-MGPQQGTHSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129683299 388865157 /nfs/dbraw/zinc/86/51/57/388865157.db2.gz XHVBYHSOUQQFBS-MGPQQGTHSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCOCC2CC2)CC[N@H+]1C ZINC000129821822 388872548 /nfs/dbraw/zinc/87/25/48/388872548.db2.gz OFSXUOFVNNYPLX-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCn2ccnc2)CC[N@H+]1C ZINC000129503491 388849944 /nfs/dbraw/zinc/84/99/44/388849944.db2.gz VCJYLTAWLZHEQU-QWHCGFSZSA-N 2 1 236.363 1.346 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000565214563 388927512 /nfs/dbraw/zinc/92/75/12/388927512.db2.gz HOSRIQKYJCMFTI-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566089522 388986912 /nfs/dbraw/zinc/98/69/12/388986912.db2.gz KXCNXVKAJWESCN-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325698 533371013 /nfs/dbraw/zinc/37/10/13/533371013.db2.gz OQBXLCQPYUAFCY-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC000336626373 132218893 /nfs/dbraw/zinc/21/88/93/132218893.db2.gz XBVVYVYSCAOOSS-VXGBXAGGSA-N 2 1 219.332 1.919 20 0 BDADMP Cc1cc(N2CCC[C@@H](CC[NH3+])C2)nc(C)[nH+]1 ZINC000070073960 132229943 /nfs/dbraw/zinc/22/99/43/132229943.db2.gz UXAQOLHCFQQANS-LBPRGKRZSA-N 2 1 234.347 1.659 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000333902417 132245669 /nfs/dbraw/zinc/24/56/69/132245669.db2.gz IZOCQHGAPZUZMN-KOLCDFICSA-N 2 1 243.314 1.146 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000368450757 132283430 /nfs/dbraw/zinc/28/34/30/132283430.db2.gz SPJYAWHDVBNCRT-JSGCOSHPSA-N 2 1 231.343 1.920 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)OC)CC1 ZINC000132204826 133501592 /nfs/dbraw/zinc/50/15/92/133501592.db2.gz YVELIKKHFCZEKX-MNOVXSKESA-N 2 1 214.353 1.484 20 0 BDADMP Cc1nocc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000335943257 134018707 /nfs/dbraw/zinc/01/87/07/134018707.db2.gz ZUBNDJAXVRIIHI-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000335943257 134018708 /nfs/dbraw/zinc/01/87/08/134018708.db2.gz ZUBNDJAXVRIIHI-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000335943257 134018709 /nfs/dbraw/zinc/01/87/09/134018709.db2.gz ZUBNDJAXVRIIHI-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000335943257 134018710 /nfs/dbraw/zinc/01/87/10/134018710.db2.gz ZUBNDJAXVRIIHI-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP COc1ccnc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000351959972 134018732 /nfs/dbraw/zinc/01/87/32/134018732.db2.gz RBIAYZOWEKQOIG-RYUDHWBXSA-N 2 1 249.358 1.615 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@H]1[NH3+] ZINC000336054896 134066076 /nfs/dbraw/zinc/06/60/76/134066076.db2.gz RMCHNZWIAPFSJJ-GXTWGEPZSA-N 2 1 247.386 1.922 20 0 BDADMP Cc1ccsc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000168800714 134246862 /nfs/dbraw/zinc/24/68/62/134246862.db2.gz LGXNCPHNOHSUTL-SNVBAGLBSA-N 2 1 210.346 1.980 20 0 BDADMP Cc1ccsc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000168800714 134246863 /nfs/dbraw/zinc/24/68/63/134246863.db2.gz LGXNCPHNOHSUTL-SNVBAGLBSA-N 2 1 210.346 1.980 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCO2)C1 ZINC000176284519 134290552 /nfs/dbraw/zinc/29/05/52/134290552.db2.gz CMBPLRFARNKODR-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCO[C@@H]1C ZINC000178689237 134312946 /nfs/dbraw/zinc/31/29/46/134312946.db2.gz SGJDPYCWRILHBX-LOWVWBTDSA-N 2 1 237.347 1.595 20 0 BDADMP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178981484 134314112 /nfs/dbraw/zinc/31/41/12/134314112.db2.gz IGDAOGJOSUUXPI-CQSZACIVSA-N 2 1 248.374 1.936 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221995902 134326933 /nfs/dbraw/zinc/32/69/33/134326933.db2.gz UYBNLMMLNRWGKD-FRRDWIJNSA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221995902 134326934 /nfs/dbraw/zinc/32/69/34/134326934.db2.gz UYBNLMMLNRWGKD-FRRDWIJNSA-N 2 1 236.363 1.344 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1CCOCC1 ZINC000223008370 134336159 /nfs/dbraw/zinc/33/61/59/134336159.db2.gz IFANRQPKEGDPFC-LLVKDONJSA-N 2 1 237.347 1.596 20 0 BDADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223286229 134337888 /nfs/dbraw/zinc/33/78/88/134337888.db2.gz GKFPBMYVXCOIRY-RDBSUJKOSA-N 2 1 242.407 1.713 20 0 BDADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000224129426 134342173 /nfs/dbraw/zinc/34/21/73/134342173.db2.gz SOFOEWPWPHHJPR-FRRDWIJNSA-N 3 1 225.380 1.236 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224379037 134346268 /nfs/dbraw/zinc/34/62/68/134346268.db2.gz CVJAHRYAGMZDNM-NEPJUHHUSA-N 2 1 228.405 1.671 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1CCCOC1 ZINC000224899868 134349039 /nfs/dbraw/zinc/34/90/39/134349039.db2.gz IZVLIFXTEZFMNA-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC000224698682 134349468 /nfs/dbraw/zinc/34/94/68/134349468.db2.gz HQTHCMPIFZRKHN-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC000224698682 134349469 /nfs/dbraw/zinc/34/94/69/134349469.db2.gz HQTHCMPIFZRKHN-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000225233304 134352063 /nfs/dbraw/zinc/35/20/63/134352063.db2.gz JDCXRYZXFFMYSI-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@H](C)C1 ZINC000183829972 134356740 /nfs/dbraw/zinc/35/67/40/134356740.db2.gz QXJYHZGGAVSNPG-XQHKEYJVSA-N 2 1 240.391 1.466 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000184663397 134367711 /nfs/dbraw/zinc/36/77/11/134367711.db2.gz QGRCZDYFWNSQPF-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000227009423 134373101 /nfs/dbraw/zinc/37/31/01/134373101.db2.gz UZRAMLJYSGQYOL-KBPBESRZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)O1 ZINC000227045093 134373674 /nfs/dbraw/zinc/37/36/74/134373674.db2.gz UOSWVQVZQOZHBW-UMSGYPCISA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)C[C@H](CO)[N@@H+](C)CCCn1ccnc1 ZINC000185350540 134376858 /nfs/dbraw/zinc/37/68/58/134376858.db2.gz GHAFBXNEIQLUMA-CYBMUJFWSA-N 2 1 239.363 1.612 20 0 BDADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000062013641 134805229 /nfs/dbraw/zinc/80/52/29/134805229.db2.gz DXDRYDXWHVCDKM-JOYOIKCWSA-N 2 1 242.750 1.652 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249384328 135037620 /nfs/dbraw/zinc/03/76/20/135037620.db2.gz BHGUNCJDHYMXCJ-SGMGOOAPSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249384328 135037622 /nfs/dbraw/zinc/03/76/22/135037622.db2.gz BHGUNCJDHYMXCJ-SGMGOOAPSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249384328 135037623 /nfs/dbraw/zinc/03/76/23/135037623.db2.gz BHGUNCJDHYMXCJ-SGMGOOAPSA-N 2 1 238.375 1.316 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250364203 135052258 /nfs/dbraw/zinc/05/22/58/135052258.db2.gz UMBLDQGRHRINAJ-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000250646946 135057259 /nfs/dbraw/zinc/05/72/59/135057259.db2.gz OGCXBMZPWNQLFE-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250871798 135060656 /nfs/dbraw/zinc/06/06/56/135060656.db2.gz SOFOEWPWPHHJPR-JHJVBQTASA-N 3 1 225.380 1.236 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251098956 135064163 /nfs/dbraw/zinc/06/41/63/135064163.db2.gz DBIZBRJBORRAFW-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251098956 135064165 /nfs/dbraw/zinc/06/41/65/135064165.db2.gz DBIZBRJBORRAFW-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000251098956 135064167 /nfs/dbraw/zinc/06/41/67/135064167.db2.gz DBIZBRJBORRAFW-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251187883 135064804 /nfs/dbraw/zinc/06/48/04/135064804.db2.gz INLSAKPEGBTRDC-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251169111 135065233 /nfs/dbraw/zinc/06/52/33/135065233.db2.gz DOOALPWVSSBPNZ-MCIONIFRSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251169111 135065235 /nfs/dbraw/zinc/06/52/35/135065235.db2.gz DOOALPWVSSBPNZ-MCIONIFRSA-N 3 1 239.407 1.543 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251169111 135065237 /nfs/dbraw/zinc/06/52/37/135065237.db2.gz DOOALPWVSSBPNZ-MCIONIFRSA-N 3 1 239.407 1.543 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251212285 135066146 /nfs/dbraw/zinc/06/61/46/135066146.db2.gz MQCHQAIYIHSWMU-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251212285 135066149 /nfs/dbraw/zinc/06/61/49/135066149.db2.gz MQCHQAIYIHSWMU-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000251212285 135066151 /nfs/dbraw/zinc/06/61/51/135066151.db2.gz MQCHQAIYIHSWMU-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251206980 135066409 /nfs/dbraw/zinc/06/64/09/135066409.db2.gz LQJZEYHAOWBMNM-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000251455481 135069709 /nfs/dbraw/zinc/06/97/09/135069709.db2.gz CCOCOJRQQBETMJ-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1CCC[C@H]([N@@H+](C)CCOCC[NH3+])C1 ZINC000086435502 135084060 /nfs/dbraw/zinc/08/40/60/135084060.db2.gz PBPHZUXDUMNFRF-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1cccc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000086435461 135084591 /nfs/dbraw/zinc/08/45/91/135084591.db2.gz KESWLRWHOHPCAJ-UHFFFAOYSA-N 2 1 222.332 1.402 20 0 BDADMP CCCCOCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638401 135091865 /nfs/dbraw/zinc/09/18/65/135091865.db2.gz CYKJXAFWWLMAAQ-UHFFFAOYSA-N 2 1 216.369 1.720 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000252689865 135097288 /nfs/dbraw/zinc/09/72/88/135097288.db2.gz SLDVMTLEWAVPDO-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252711131 135099762 /nfs/dbraw/zinc/09/97/62/135099762.db2.gz IPQUNRKRTJEZPF-AGIUHOORSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000086934793 135102566 /nfs/dbraw/zinc/10/25/66/135102566.db2.gz WTKRRYSWCPPYKB-GXSJLCMTSA-N 2 1 214.378 1.564 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261568081 135110363 /nfs/dbraw/zinc/11/03/63/135110363.db2.gz FHCPVURVTGSRKH-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C)COC1 ZINC000087197226 135112506 /nfs/dbraw/zinc/11/25/06/135112506.db2.gz NOTFGIYFFXMXGK-IJLUTSLNSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252955869 135117364 /nfs/dbraw/zinc/11/73/64/135117364.db2.gz JAGNKFIOFZFROO-FVCCEPFGSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252955869 135117365 /nfs/dbraw/zinc/11/73/65/135117365.db2.gz JAGNKFIOFZFROO-FVCCEPFGSA-N 2 1 208.349 1.859 20 0 BDADMP CCC[C@@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000262303392 135117672 /nfs/dbraw/zinc/11/76/72/135117672.db2.gz XUFRSDDOKVFQGF-SNVBAGLBSA-N 2 1 238.335 1.540 20 0 BDADMP [NH3+]CC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000262896197 135123497 /nfs/dbraw/zinc/12/34/97/135123497.db2.gz CZYFYCNUCRKOAA-AWEZNQCLSA-N 2 1 234.343 1.484 20 0 BDADMP [NH3+]CC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000262896197 135123498 /nfs/dbraw/zinc/12/34/98/135123498.db2.gz CZYFYCNUCRKOAA-AWEZNQCLSA-N 2 1 234.343 1.484 20 0 BDADMP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000258769319 135134301 /nfs/dbraw/zinc/13/43/01/135134301.db2.gz AWADEYXLKUBMJU-ZDUSSCGKSA-N 2 1 222.332 1.055 20 0 BDADMP CCc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000258958802 135136106 /nfs/dbraw/zinc/13/61/06/135136106.db2.gz KULHFJNNKZFGNW-CQSZACIVSA-N 2 1 218.344 1.743 20 0 BDADMP CCc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000258958801 135136168 /nfs/dbraw/zinc/13/61/68/135136168.db2.gz KULHFJNNKZFGNW-AWEZNQCLSA-N 2 1 218.344 1.743 20 0 BDADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000257706606 135140262 /nfs/dbraw/zinc/14/02/62/135140262.db2.gz RJXINXHKTGYDMO-UHFFFAOYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cccc(N2CC[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000257713932 135140566 /nfs/dbraw/zinc/14/05/66/135140566.db2.gz OKDMAFRVKTUQDW-CYBMUJFWSA-N 2 1 217.316 1.580 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257739686 135141199 /nfs/dbraw/zinc/14/11/99/135141199.db2.gz YQQCCEWKYYBERD-QWHCGFSZSA-N 2 1 240.416 1.815 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257732591 135141231 /nfs/dbraw/zinc/14/12/31/135141231.db2.gz XJWSCZLTRARZGW-UHFFFAOYSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257732591 135141233 /nfs/dbraw/zinc/14/12/33/135141233.db2.gz XJWSCZLTRARZGW-UHFFFAOYSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257732591 135141235 /nfs/dbraw/zinc/14/12/35/135141235.db2.gz XJWSCZLTRARZGW-UHFFFAOYSA-N 2 1 234.347 1.294 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](COC)C2CC2)CC1 ZINC000087479279 135143786 /nfs/dbraw/zinc/14/37/86/135143786.db2.gz ILUUFXLDHWWVAX-CYBMUJFWSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)nc(C)[nH+]1 ZINC000261530590 135158362 /nfs/dbraw/zinc/15/83/62/135158362.db2.gz CSYRVRRZSCLXJD-WCBMZHEXSA-N 2 1 206.293 1.019 20 0 BDADMP C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1[NH3+] ZINC000261531789 135160765 /nfs/dbraw/zinc/16/07/65/135160765.db2.gz HVXGSRUBYZUWET-DGCLKSJQSA-N 2 1 204.317 1.508 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1[NH3+] ZINC000261531789 135160767 /nfs/dbraw/zinc/16/07/67/135160767.db2.gz HVXGSRUBYZUWET-DGCLKSJQSA-N 2 1 204.317 1.508 20 0 BDADMP CCOCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261532260 135162186 /nfs/dbraw/zinc/16/21/86/135162186.db2.gz JUXOIJPJQMRDPT-UHFFFAOYSA-N 2 1 212.337 1.098 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1C ZINC000261532428 135162742 /nfs/dbraw/zinc/16/27/42/135162742.db2.gz BIKCCUGPRYFJRQ-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP CC1(C)CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261533335 135164910 /nfs/dbraw/zinc/16/49/10/135164910.db2.gz GRYNZRZJJRIQBQ-UHFFFAOYSA-N 2 1 224.308 1.150 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261538253 135175910 /nfs/dbraw/zinc/17/59/10/135175910.db2.gz XOOKIDVEOIXBTD-DTWKUNHWSA-N 2 1 222.254 1.623 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261538253 135175911 /nfs/dbraw/zinc/17/59/11/135175911.db2.gz XOOKIDVEOIXBTD-DTWKUNHWSA-N 2 1 222.254 1.623 20 0 BDADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](C)[NH3+])C1 ZINC000261538542 135176487 /nfs/dbraw/zinc/17/64/87/135176487.db2.gz YMJFVABIZOGHOM-OUAUKWLOSA-N 2 1 216.394 1.940 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261539265 135177552 /nfs/dbraw/zinc/17/75/52/135177552.db2.gz BZNSXUIEKIOBLO-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@H]1C ZINC000261539754 135178746 /nfs/dbraw/zinc/17/87/46/135178746.db2.gz BLCNNEUYHAWRPF-XJFOESAGSA-N 2 1 240.391 1.731 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000261541678 135181848 /nfs/dbraw/zinc/18/18/48/135181848.db2.gz GAVNNBOVMAFDKT-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H](C3CC3)C2)CC[NH2+]C1 ZINC000261543686 135184851 /nfs/dbraw/zinc/18/48/51/135184851.db2.gz HXWMLVPRKRPQGX-STQMWFEESA-N 2 1 208.349 1.718 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000261544970 135186194 /nfs/dbraw/zinc/18/61/94/135186194.db2.gz FLEMVSCIIZWRAK-QLFBSQMISA-N 2 1 230.355 1.898 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261549004 135187550 /nfs/dbraw/zinc/18/75/50/135187550.db2.gz KCUWBASWOZJFDN-XQQFMLRXSA-N 2 1 231.343 1.559 20 0 BDADMP CCc1nc(N2CC[C@@H]([NH3+])[C@@H](C)C2)cc(C)[nH+]1 ZINC000261549565 135188519 /nfs/dbraw/zinc/18/85/19/135188519.db2.gz KQGSVTODLMNYJI-GXSJLCMTSA-N 2 1 234.347 1.521 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000261549710 135188669 /nfs/dbraw/zinc/18/86/69/135188669.db2.gz PBUYGMYNDIEHLE-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216722 135192727 /nfs/dbraw/zinc/19/27/27/135192727.db2.gz QDEIJOFPMLXHHU-VXGBXAGGSA-N 2 1 213.369 1.045 20 0 BDADMP CCN(C)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216722 135192729 /nfs/dbraw/zinc/19/27/29/135192729.db2.gz QDEIJOFPMLXHHU-VXGBXAGGSA-N 2 1 213.369 1.045 20 0 BDADMP Cc1nc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000084220491 135193264 /nfs/dbraw/zinc/19/32/64/135193264.db2.gz ZVHVWTICZJDEIM-GXSJLCMTSA-N 2 1 225.361 1.669 20 0 BDADMP CCc1nc(N2CCC[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261554321 135193478 /nfs/dbraw/zinc/19/34/78/135193478.db2.gz OUOSCYYKPVPWCM-LLVKDONJSA-N 2 1 234.347 1.523 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000261553936 135193871 /nfs/dbraw/zinc/19/38/71/135193871.db2.gz SWTJQRRSKRTPLE-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000261557819 135198528 /nfs/dbraw/zinc/19/85/28/135198528.db2.gz XPNVLFRBUYWPKA-IONNQARKSA-N 2 1 246.763 1.071 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261561579 135202765 /nfs/dbraw/zinc/20/27/65/135202765.db2.gz FZCDKXOMDNCTNG-KGLIPLIRSA-N 2 1 246.354 1.737 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261561579 135202767 /nfs/dbraw/zinc/20/27/67/135202767.db2.gz FZCDKXOMDNCTNG-KGLIPLIRSA-N 2 1 246.354 1.737 20 0 BDADMP c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261562725 135204304 /nfs/dbraw/zinc/20/43/04/135204304.db2.gz GOUNZVCATUVSPF-UKRRQHHQSA-N 2 1 246.354 1.749 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261562725 135204306 /nfs/dbraw/zinc/20/43/06/135204306.db2.gz GOUNZVCATUVSPF-UKRRQHHQSA-N 2 1 246.354 1.749 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000261565559 135207524 /nfs/dbraw/zinc/20/75/24/135207524.db2.gz HSQWGFAXSTZEIZ-OAHLLOKOSA-N 2 1 246.354 1.792 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163860923 135207892 /nfs/dbraw/zinc/20/78/92/135207892.db2.gz GHMKYNHWJGXXBT-DGCLKSJQSA-N 2 1 233.359 1.807 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261568144 135210567 /nfs/dbraw/zinc/21/05/67/135210567.db2.gz FJQNHRQEUDVLNS-GXSJLCMTSA-N 2 1 237.734 1.923 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000261572374 135213636 /nfs/dbraw/zinc/21/36/36/135213636.db2.gz IBFDHMLBJFPZKU-LBPRGKRZSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000261572139 135213835 /nfs/dbraw/zinc/21/38/35/135213835.db2.gz LLYCVZGOOMFUSF-CQSZACIVSA-N 2 1 247.342 1.281 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000261572139 135213836 /nfs/dbraw/zinc/21/38/36/135213836.db2.gz LLYCVZGOOMFUSF-CQSZACIVSA-N 2 1 247.342 1.281 20 0 BDADMP Cc1cccc(OCC[NH2+]CC(C)(C)[NH3+])c1 ZINC000261573065 135214536 /nfs/dbraw/zinc/21/45/36/135214536.db2.gz ILLLSKOVRHMCHZ-UHFFFAOYSA-N 2 1 222.332 1.701 20 0 BDADMP C[C@](C[NH3+])([NH2+]CC1CCOCC1)C1CC1 ZINC000261575485 135216440 /nfs/dbraw/zinc/21/64/40/135216440.db2.gz JUNVTQLLBDBYKL-GFCCVEGCSA-N 2 1 212.337 1.130 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000084384861 135217921 /nfs/dbraw/zinc/21/79/21/135217921.db2.gz ZHKJKWOYIPRTHV-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cnn(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261578731 135220087 /nfs/dbraw/zinc/22/00/87/135220087.db2.gz PAHLNELNJYDJQR-BFHYXJOUSA-N 2 1 248.374 1.251 20 0 BDADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC[NH3+] ZINC000261582062 135222899 /nfs/dbraw/zinc/22/28/99/135222899.db2.gz OBJHDRCSEFLTOG-JSGCOSHPSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC[NH3+] ZINC000261582062 135222901 /nfs/dbraw/zinc/22/29/01/135222901.db2.gz OBJHDRCSEFLTOG-JSGCOSHPSA-N 2 1 218.344 1.898 20 0 BDADMP CCc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc(C)[nH+]1 ZINC000261584395 135225210 /nfs/dbraw/zinc/22/52/10/135225210.db2.gz SEDOCRAGYKZLFP-WCFLWFBJSA-N 2 1 246.358 1.521 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261591762 135232618 /nfs/dbraw/zinc/23/26/18/135232618.db2.gz VOURXFQZOGCXSH-QWHCGFSZSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]12 ZINC000261594307 135234643 /nfs/dbraw/zinc/23/46/43/135234643.db2.gz XLXOFCCMXQRUHU-FRRDWIJNSA-N 2 1 217.316 1.251 20 0 BDADMP CC[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC000261596184 135235756 /nfs/dbraw/zinc/23/57/56/135235756.db2.gz YOYVULYDGFZLCO-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC000261596184 135235758 /nfs/dbraw/zinc/23/57/58/135235758.db2.gz YOYVULYDGFZLCO-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC000261596179 135236101 /nfs/dbraw/zinc/23/61/01/135236101.db2.gz YOYVULYDGFZLCO-QJPTWQEYSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)CCO1 ZINC000261596179 135236103 /nfs/dbraw/zinc/23/61/03/135236103.db2.gz YOYVULYDGFZLCO-QJPTWQEYSA-N 2 1 212.337 1.225 20 0 BDADMP CCC1(C[N@H+]2CC[C@@](C)(C[NH3+])C2)CCOCC1 ZINC000261685388 135246131 /nfs/dbraw/zinc/24/61/31/135246131.db2.gz KFPVSFRBJNKJKD-ZDUSSCGKSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(N)c1 ZINC000261750047 135249662 /nfs/dbraw/zinc/24/96/62/135249662.db2.gz WICLNBOLCDEIEH-CMPLNLGQSA-N 2 1 219.332 1.438 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCOCC2(CC2)C1 ZINC000261749210 135250190 /nfs/dbraw/zinc/25/01/90/135250190.db2.gz CBOXWIRYPYBZDT-UHFFFAOYSA-N 2 1 224.348 1.098 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000261785411 135252588 /nfs/dbraw/zinc/25/25/88/135252588.db2.gz PSHUDJCBYOYXDS-MGPQQGTHSA-N 3 1 237.391 1.045 20 0 BDADMP CC[N@@H+](CC[C@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261782113 135253022 /nfs/dbraw/zinc/25/30/22/135253022.db2.gz FLQVKWLWDABNJI-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000261805566 135254510 /nfs/dbraw/zinc/25/45/10/135254510.db2.gz HHFRPOJTTLPIPF-GHMZBOCLSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000261805566 135254512 /nfs/dbraw/zinc/25/45/12/135254512.db2.gz HHFRPOJTTLPIPF-GHMZBOCLSA-N 2 1 228.380 1.453 20 0 BDADMP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000261812104 135255102 /nfs/dbraw/zinc/25/51/02/135255102.db2.gz LXDYQWYLXCOVMM-SDDRHHMPSA-N 2 1 241.379 1.103 20 0 BDADMP c1cn(C[C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261932043 135264318 /nfs/dbraw/zinc/26/43/18/135264318.db2.gz LREIKDXLGGILBN-UONOGXRCSA-N 3 1 248.374 1.347 20 0 BDADMP C1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261939927 135264788 /nfs/dbraw/zinc/26/47/88/135264788.db2.gz MRKXQUGVPKARLI-XQQFMLRXSA-N 2 1 224.348 1.286 20 0 BDADMP Oc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261950844 135266306 /nfs/dbraw/zinc/26/63/06/135266306.db2.gz FWVKQGKPOINRIA-UHFFFAOYSA-N 2 1 246.354 1.968 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCOCC2(CC2)C1 ZINC000261965521 135267110 /nfs/dbraw/zinc/26/71/10/135267110.db2.gz PVMWGGAPUFPMIA-GFCCVEGCSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CC1 ZINC000261967440 135267312 /nfs/dbraw/zinc/26/73/12/135267312.db2.gz QFROLDAYPVICDJ-DEQVHRJGSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CC1(F)F ZINC000261981010 135268812 /nfs/dbraw/zinc/26/88/12/135268812.db2.gz RHTIFVLYBHBHEP-SNVBAGLBSA-N 2 1 232.318 1.963 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC1(F)F ZINC000261981010 135268813 /nfs/dbraw/zinc/26/88/13/135268813.db2.gz RHTIFVLYBHBHEP-SNVBAGLBSA-N 2 1 232.318 1.963 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261975084 135269072 /nfs/dbraw/zinc/26/90/72/135269072.db2.gz QQXZKNKRAPZIBB-WDEREUQCSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CN ZINC000262116238 135279337 /nfs/dbraw/zinc/27/93/37/135279337.db2.gz BKTBOXSDUBHWMS-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1CCCN(CC2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000262116238 135279338 /nfs/dbraw/zinc/27/93/38/135279338.db2.gz BKTBOXSDUBHWMS-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]21 ZINC000262116246 135279974 /nfs/dbraw/zinc/27/99/74/135279974.db2.gz LHPZRZHIOOWVGK-GMTAPVOTSA-N 2 1 248.317 1.327 20 0 BDADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262122163 135280193 /nfs/dbraw/zinc/28/01/93/135280193.db2.gz XIYWXXBQNHEAML-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262122163 135280195 /nfs/dbraw/zinc/28/01/95/135280195.db2.gz XIYWXXBQNHEAML-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000262134078 135281376 /nfs/dbraw/zinc/28/13/76/135281376.db2.gz OLRYKGHWMXYEPH-AWEZNQCLSA-N 2 1 248.370 1.963 20 0 BDADMP Cc1cnc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C ZINC000342775911 135327275 /nfs/dbraw/zinc/32/72/75/135327275.db2.gz FZANHNKIGYVUNG-STQMWFEESA-N 2 1 248.374 1.397 20 0 BDADMP Cc1nocc1CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000334330186 135354371 /nfs/dbraw/zinc/35/43/71/135354371.db2.gz OPBIWIWSOZJKTJ-GXFFZTMASA-N 2 1 237.347 1.755 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084217735 135466933 /nfs/dbraw/zinc/46/69/33/135466933.db2.gz LFLTUDLEJGFMHY-OLZOCXBDSA-N 3 1 227.396 1.435 20 0 BDADMP CCc1cc(N[C@@H]2CCC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000089106199 135529850 /nfs/dbraw/zinc/52/98/50/135529850.db2.gz VDYVVMOLUYYSTR-CMPLNLGQSA-N 2 1 234.347 1.887 20 0 BDADMP Cc1c(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cnn1C ZINC000335017910 135878442 /nfs/dbraw/zinc/87/84/42/135878442.db2.gz BBWKFJHJMMDCQY-STQMWFEESA-N 2 1 236.363 1.478 20 0 BDADMP c1cc2[nH+]ccc(NC3C[NH2+]C3)c2s1 ZINC000335301367 136020311 /nfs/dbraw/zinc/02/03/11/136020311.db2.gz OFKFYDMYDJXEID-UHFFFAOYSA-N 2 1 205.286 1.102 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H]1C(F)F ZINC000348152231 136039748 /nfs/dbraw/zinc/03/97/48/136039748.db2.gz BJZBRVIRAMHDRS-IMSYWVGJSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@H]1C(F)F ZINC000348152231 136039749 /nfs/dbraw/zinc/03/97/49/136039749.db2.gz BJZBRVIRAMHDRS-IMSYWVGJSA-N 2 1 218.291 1.570 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)[C@@H](C)C1 ZINC000348185651 136044635 /nfs/dbraw/zinc/04/46/35/136044635.db2.gz QGSOOUUZVCNUDB-ZRUFSTJUSA-N 2 1 232.318 1.960 20 0 BDADMP FC(F)[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348215895 136045939 /nfs/dbraw/zinc/04/59/39/136045939.db2.gz BUTLZFDGGLYDDM-ZDCRXTMVSA-N 2 1 230.302 1.856 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)o1 ZINC000335325938 136051639 /nfs/dbraw/zinc/05/16/39/136051639.db2.gz KYGYYABITVEJQF-SNVBAGLBSA-N 2 1 231.299 1.958 20 0 BDADMP Cc1nccn1CCC[N@H+](C)CCC(C)(C)O ZINC000348268457 136058213 /nfs/dbraw/zinc/05/82/13/136058213.db2.gz BPVHSWVQYGNNGW-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(C)(C)O ZINC000348268457 136058214 /nfs/dbraw/zinc/05/82/14/136058214.db2.gz BPVHSWVQYGNNGW-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(C)(C)O ZINC000348268457 136058215 /nfs/dbraw/zinc/05/82/15/136058215.db2.gz BPVHSWVQYGNNGW-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000348332804 136075302 /nfs/dbraw/zinc/07/53/02/136075302.db2.gz XPFSWJDZIAQQJI-YPMHNXCESA-N 2 1 244.354 1.577 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCc2occc21)C1C[NH2+]C1 ZINC000335559275 136100264 /nfs/dbraw/zinc/10/02/64/136100264.db2.gz AWXYTVTZFDGVMZ-BXKDBHETSA-N 2 1 220.316 1.855 20 0 BDADMP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]c2ccsc21 ZINC000335595578 136104847 /nfs/dbraw/zinc/10/48/47/136104847.db2.gz OEARDAKSAINKKT-YUMQZZPRSA-N 2 1 221.329 1.866 20 0 BDADMP Cc1cnc(C[N@H+](C)CCCn2ccnc2)o1 ZINC000162299614 397776972 /nfs/dbraw/zinc/77/69/72/397776972.db2.gz SZTZSYAUNWCMMV-UHFFFAOYSA-N 2 1 234.303 1.702 20 0 BDADMP Cc1cnc(C[N@@H+](C)CCCn2ccnc2)o1 ZINC000162299614 397776973 /nfs/dbraw/zinc/77/69/73/397776973.db2.gz SZTZSYAUNWCMMV-UHFFFAOYSA-N 2 1 234.303 1.702 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649545676 397936501 /nfs/dbraw/zinc/93/65/01/397936501.db2.gz NJKFGRMXUXVQMU-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP Cc1[nH]c2nc[nH+]c(N3CC[C@H](C[NH3+])C3)c2c1C ZINC000647704840 397954472 /nfs/dbraw/zinc/95/44/72/397954472.db2.gz NEOVPBAHJFFYJB-SNVBAGLBSA-N 2 1 245.330 1.360 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000649610223 397995651 /nfs/dbraw/zinc/99/56/51/397995651.db2.gz LIUVPWMWTOECRN-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP COCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164643688 398000357 /nfs/dbraw/zinc/00/03/57/398000357.db2.gz JRZHALIPDXOQHE-NEPJUHHUSA-N 2 1 214.353 1.330 20 0 BDADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303305617 398013856 /nfs/dbraw/zinc/01/38/56/398013856.db2.gz QTRLIVARSKBEFJ-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC000160602730 398016693 /nfs/dbraw/zinc/01/66/93/398016693.db2.gz LAUMHCXFDXUTRD-IUCAKERBSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000160602730 398016695 /nfs/dbraw/zinc/01/66/95/398016695.db2.gz LAUMHCXFDXUTRD-IUCAKERBSA-N 2 1 211.334 1.312 20 0 BDADMP CO[C@H](C)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373311678 398020323 /nfs/dbraw/zinc/02/03/23/398020323.db2.gz SUGAUWDUUGACDU-AAVRWANBSA-N 2 1 238.375 1.437 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414705273 398021391 /nfs/dbraw/zinc/02/13/91/398021391.db2.gz LIBPHHYBFXBYBA-KBPBESRZSA-N 2 1 241.423 1.633 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000414763679 398028009 /nfs/dbraw/zinc/02/80/09/398028009.db2.gz NFLYSROMDVKDLP-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@@](C)(F)C2)CC[NH2+]1 ZINC000414764840 398028080 /nfs/dbraw/zinc/02/80/80/398028080.db2.gz BEKXLAOCUFVXLT-JHJVBQTASA-N 2 1 243.370 1.008 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]1 ZINC000414764840 398028083 /nfs/dbraw/zinc/02/80/83/398028083.db2.gz BEKXLAOCUFVXLT-JHJVBQTASA-N 2 1 243.370 1.008 20 0 BDADMP CSC1(C[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000193807991 398030291 /nfs/dbraw/zinc/03/02/91/398030291.db2.gz WQVBYGDRQHDQBX-UHFFFAOYSA-N 2 1 228.405 1.956 20 0 BDADMP CC(=O)Nc1ccccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414768460 398030968 /nfs/dbraw/zinc/03/09/68/398030968.db2.gz ICXOEJVYWONVBE-UHFFFAOYSA-N 2 1 247.342 1.567 20 0 BDADMP CC(=O)Nc1ccccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000414768460 398030972 /nfs/dbraw/zinc/03/09/72/398030972.db2.gz ICXOEJVYWONVBE-UHFFFAOYSA-N 2 1 247.342 1.567 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054243815 397972733 /nfs/dbraw/zinc/97/27/33/397972733.db2.gz HPZCPULEFGPAFR-NEPJUHHUSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000389323123 398073583 /nfs/dbraw/zinc/07/35/83/398073583.db2.gz CYCNEVRSLBAATJ-MNOVXSKESA-N 2 1 214.353 1.328 20 0 BDADMP Cc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000086762925 398058527 /nfs/dbraw/zinc/05/85/27/398058527.db2.gz XHQDTJRJGCAWCH-CYBMUJFWSA-N 2 1 204.317 1.489 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC([NH3+])C1 ZINC000385110897 398134397 /nfs/dbraw/zinc/13/43/97/398134397.db2.gz CYNCLTZTMVQMSW-BPCQOVAHSA-N 2 1 238.375 1.900 20 0 BDADMP Cc1nocc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276338 487528832 /nfs/dbraw/zinc/52/88/32/487528832.db2.gz LGEHVEPUPWZBFU-TZMCWYRMSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1nocc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276338 487528841 /nfs/dbraw/zinc/52/88/41/487528841.db2.gz LGEHVEPUPWZBFU-TZMCWYRMSA-N 2 1 249.358 1.947 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(C)(C)C)CCO1 ZINC000169121638 487559706 /nfs/dbraw/zinc/55/97/06/487559706.db2.gz SZDNQBSAPWAACK-WDEREUQCSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(C)(C)C)CCO1 ZINC000169121638 487559711 /nfs/dbraw/zinc/55/97/11/487559711.db2.gz SZDNQBSAPWAACK-WDEREUQCSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H](CCCCO)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000666172093 487571939 /nfs/dbraw/zinc/57/19/39/487571939.db2.gz ALVOURHWLWVCEM-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000309106299 167211360 /nfs/dbraw/zinc/21/13/60/167211360.db2.gz IBDFIAVREOVDQP-NSHDSACASA-N 2 1 200.326 1.225 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000309106299 167211363 /nfs/dbraw/zinc/21/13/63/167211363.db2.gz IBDFIAVREOVDQP-NSHDSACASA-N 2 1 200.326 1.225 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342088826 167216477 /nfs/dbraw/zinc/21/64/77/167216477.db2.gz AQVODVWQMOYNSS-IHRRRGAJSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)OCCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000309474389 167222405 /nfs/dbraw/zinc/22/24/05/167222405.db2.gz RPMYXYLKBCNBDI-LBPRGKRZSA-N 2 1 216.369 1.765 20 0 BDADMP CC(C)OCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196383 167230518 /nfs/dbraw/zinc/23/05/18/167230518.db2.gz VUIGMVWZMCOGJA-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196383 167230522 /nfs/dbraw/zinc/23/05/22/167230522.db2.gz VUIGMVWZMCOGJA-NEPJUHHUSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163668941 167238041 /nfs/dbraw/zinc/23/80/41/167238041.db2.gz ZGCLQYZWMKLWDW-XQQFMLRXSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309583953 167255656 /nfs/dbraw/zinc/25/56/56/167255656.db2.gz RFEQUBJLDLHRQJ-GFCCVEGCSA-N 2 1 226.364 1.651 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CC=CC2)CCO1 ZINC000662247927 409543762 /nfs/dbraw/zinc/54/37/62/409543762.db2.gz OUOXKPVYQXGOKF-JQWIXIFHSA-N 2 1 210.321 1.001 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CC=CC2)CCO1 ZINC000662247927 409543765 /nfs/dbraw/zinc/54/37/65/409543765.db2.gz OUOXKPVYQXGOKF-JQWIXIFHSA-N 2 1 210.321 1.001 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255578 409550677 /nfs/dbraw/zinc/55/06/77/409550677.db2.gz FCNKCJWNJKJXFH-WOPDTQHZSA-N 2 1 224.348 1.238 20 0 BDADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)C(C)C ZINC000662255356 409551351 /nfs/dbraw/zinc/55/13/51/409551351.db2.gz YCKLKMIIRRFKMF-CHWSQXEVSA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)C1CCC1 ZINC000662273154 409580744 /nfs/dbraw/zinc/58/07/44/409580744.db2.gz LWRUIYLOHWFRAI-CHWSQXEVSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)C1CCC1 ZINC000662273154 409580753 /nfs/dbraw/zinc/58/07/53/409580753.db2.gz LWRUIYLOHWFRAI-CHWSQXEVSA-N 2 1 226.364 1.471 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000662283212 409610418 /nfs/dbraw/zinc/61/04/18/409610418.db2.gz SGSADGXKGGFWBU-CMPLNLGQSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000662283212 409610426 /nfs/dbraw/zinc/61/04/26/409610426.db2.gz SGSADGXKGGFWBU-CMPLNLGQSA-N 2 1 234.347 1.202 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C[NH3+] ZINC000662283543 409615466 /nfs/dbraw/zinc/61/54/66/409615466.db2.gz AAGRGGADRUPHRS-ZIAGYGMSSA-N 2 1 240.391 1.862 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CC1(C)C ZINC000662344743 409657769 /nfs/dbraw/zinc/65/77/69/409657769.db2.gz SEGIGUAZJDSJQB-RYUDHWBXSA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CC1(C)C ZINC000662344743 409657782 /nfs/dbraw/zinc/65/77/82/409657782.db2.gz SEGIGUAZJDSJQB-RYUDHWBXSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662344743 409657791 /nfs/dbraw/zinc/65/77/91/409657791.db2.gz SEGIGUAZJDSJQB-RYUDHWBXSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662344743 409657799 /nfs/dbraw/zinc/65/77/99/409657799.db2.gz SEGIGUAZJDSJQB-RYUDHWBXSA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000308731116 409902314 /nfs/dbraw/zinc/90/23/14/409902314.db2.gz TUCZSFUACBWLMN-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000653175996 410152474 /nfs/dbraw/zinc/15/24/74/410152474.db2.gz HSEIWTLCTMDJQE-VXGBXAGGSA-N 2 1 243.395 1.064 20 0 BDADMP CC[N@@H+](CCCNC(=O)C[NH3+])C1CCCCC1 ZINC000653200743 410161850 /nfs/dbraw/zinc/16/18/50/410161850.db2.gz OKIDXFDLOAMLFN-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000663512600 410282770 /nfs/dbraw/zinc/28/27/70/410282770.db2.gz GMLFTXGYZYEPMN-FZMZJTMJSA-N 2 1 248.370 1.750 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nccn1C ZINC000650719075 410355046 /nfs/dbraw/zinc/35/50/46/410355046.db2.gz BZNAGJTUXWPLBJ-UHFFFAOYSA-N 2 1 244.342 1.429 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccc(N)nc2)[C@@H]1CC[NH3+] ZINC000650712284 410342838 /nfs/dbraw/zinc/34/28/38/410342838.db2.gz ZBYOMUSONGPRQO-WCQYABFASA-N 2 1 248.374 1.443 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000650714317 410347620 /nfs/dbraw/zinc/34/76/20/410347620.db2.gz YMUXLSHHABIKBK-STQMWFEESA-N 3 1 239.407 1.435 20 0 BDADMP CCN1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000650714317 410347626 /nfs/dbraw/zinc/34/76/26/410347626.db2.gz YMUXLSHHABIKBK-STQMWFEESA-N 2 1 239.407 1.435 20 0 BDADMP CCCN1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713379 410352031 /nfs/dbraw/zinc/35/20/31/410352031.db2.gz QUAUTFIXBBTTRC-UHFFFAOYSA-N 2 1 239.407 1.579 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc[nH]n1 ZINC000650719066 410356504 /nfs/dbraw/zinc/35/65/04/410356504.db2.gz BOLSVPSKUREGTC-UHFFFAOYSA-N 2 1 230.315 1.419 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@]3(CC3(F)F)C2)CC[NH2+]C1 ZINC000650724924 410360599 /nfs/dbraw/zinc/36/05/99/410360599.db2.gz OZEPVQWFUSATCC-QWRGUYRKSA-N 2 1 230.302 1.717 20 0 BDADMP [NH3+]CC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000650746025 410385192 /nfs/dbraw/zinc/38/51/92/410385192.db2.gz ULMWNQKYFFRZBM-OLZOCXBDSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCCCN1 ZINC000650747712 410387416 /nfs/dbraw/zinc/38/74/16/410387416.db2.gz GDLIMMRQFMZSLK-VXGBXAGGSA-N 2 1 225.380 1.236 20 0 BDADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cn[nH]c1 ZINC000650754915 410400626 /nfs/dbraw/zinc/40/06/26/410400626.db2.gz UWLBMKPXVDNPPN-VIFPVBQESA-N 2 1 248.305 1.858 20 0 BDADMP C[C@@H](COCC1CC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000650761067 410409522 /nfs/dbraw/zinc/40/95/22/410409522.db2.gz RKUGHEWZUGOGDH-GMXVVIOVSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000650762012 410410279 /nfs/dbraw/zinc/41/02/79/410410279.db2.gz QBHNGWLGQXIFGS-OCCSQVGLSA-N 2 1 239.407 1.496 20 0 BDADMP CC[C@@H](COCC1CC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665236586 410726701 /nfs/dbraw/zinc/72/67/01/410726701.db2.gz QAIIAMPTSHSFSM-UBHSHLNASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396452296 410881674 /nfs/dbraw/zinc/88/16/74/410881674.db2.gz VPMJKHZLSSISNS-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H](NC[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396458291 410882060 /nfs/dbraw/zinc/88/20/60/410882060.db2.gz OGYMXMUNIAEWDK-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000397245640 410918747 /nfs/dbraw/zinc/91/87/47/410918747.db2.gz NKVQQQGACJUOIW-RYUDHWBXSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309440211 167368611 /nfs/dbraw/zinc/36/86/11/167368611.db2.gz NWFYFJOWWDRVIW-DGCLKSJQSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309440211 167368612 /nfs/dbraw/zinc/36/86/12/167368612.db2.gz NWFYFJOWWDRVIW-DGCLKSJQSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309440211 167368615 /nfs/dbraw/zinc/36/86/15/167368615.db2.gz NWFYFJOWWDRVIW-DGCLKSJQSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309440211 167368618 /nfs/dbraw/zinc/36/86/18/167368618.db2.gz NWFYFJOWWDRVIW-DGCLKSJQSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310225408 167390921 /nfs/dbraw/zinc/39/09/21/167390921.db2.gz GSXMCVHTQYMHRR-CQSZACIVSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310128707 167535538 /nfs/dbraw/zinc/53/55/38/167535538.db2.gz KABYITSAZYUUFR-CQSZACIVSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccncc1 ZINC000019958502 411073454 /nfs/dbraw/zinc/07/34/54/411073454.db2.gz SQYZKPKJSMUPBX-LLVKDONJSA-N 2 1 207.321 1.684 20 0 BDADMP COCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000106878769 411130319 /nfs/dbraw/zinc/13/03/19/411130319.db2.gz NEKGNHLXZRQBHA-SNVBAGLBSA-N 2 1 200.326 1.095 20 0 BDADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000651762881 411142306 /nfs/dbraw/zinc/14/23/06/411142306.db2.gz VGIMCMWGDQSGPL-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000651762881 411142307 /nfs/dbraw/zinc/14/23/07/411142307.db2.gz VGIMCMWGDQSGPL-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]CC[C@H]1CCOC1 ZINC000651865627 411148209 /nfs/dbraw/zinc/14/82/09/411148209.db2.gz BDBKUNSCQVWTCB-AWEZNQCLSA-N 2 1 242.407 1.981 20 0 BDADMP CC(C)(CO)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132209932 411160799 /nfs/dbraw/zinc/16/07/99/411160799.db2.gz ZNXWAFNEWXTVFJ-QWHCGFSZSA-N 2 1 234.343 1.739 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CO)CC2)c2ccccc21 ZINC000132211303 411161542 /nfs/dbraw/zinc/16/15/42/411161542.db2.gz YEWXXMMRMZWOAK-QWHCGFSZSA-N 2 1 232.327 1.493 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+]CC2(C)C)c1 ZINC000214086267 411112146 /nfs/dbraw/zinc/11/21/46/411112146.db2.gz PTTIAEAWLGVCRA-UHFFFAOYSA-N 2 1 249.358 1.582 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000657982467 411188970 /nfs/dbraw/zinc/18/89/70/411188970.db2.gz MCLUWIQTIWJJCU-GFCCVEGCSA-N 2 1 245.330 1.284 20 0 BDADMP Cc1nccn1CC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700463 411191633 /nfs/dbraw/zinc/19/16/33/411191633.db2.gz MKOPOMWKQLGZAB-STQMWFEESA-N 2 1 235.331 1.160 20 0 BDADMP Cc1noc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000656194600 411202212 /nfs/dbraw/zinc/20/22/12/411202212.db2.gz MJTDWAXZUKRKBE-GXSJLCMTSA-N 2 1 238.335 1.198 20 0 BDADMP Cc1noc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000656194600 411202214 /nfs/dbraw/zinc/20/22/14/411202214.db2.gz MJTDWAXZUKRKBE-GXSJLCMTSA-N 2 1 238.335 1.198 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOCC2CC2)[C@H]1CC[NH3+] ZINC000652355106 411215225 /nfs/dbraw/zinc/21/52/25/411215225.db2.gz PKAQYEDWQSTPDZ-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOCC2CC2)[C@H]1CC[NH3+] ZINC000652355105 411215466 /nfs/dbraw/zinc/21/54/66/411215466.db2.gz PKAQYEDWQSTPDZ-JSGCOSHPSA-N 2 1 240.391 1.862 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360799 411216800 /nfs/dbraw/zinc/21/68/00/411216800.db2.gz QOYXAVJEWNGDCJ-QJPTWQEYSA-N 2 1 212.337 1.367 20 0 BDADMP CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360824 411217111 /nfs/dbraw/zinc/21/71/11/411217111.db2.gz RDHTZALBVBFYBW-XQQFMLRXSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H](O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000653902539 411217724 /nfs/dbraw/zinc/21/77/24/411217724.db2.gz VYKLAABVVIHJGR-NEPJUHHUSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H](O)C[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000653903166 411219628 /nfs/dbraw/zinc/21/96/28/411219628.db2.gz GDQNFQMJJZGVBL-NSHDSACASA-N 2 1 237.347 1.198 20 0 BDADMP C[C@H](O)C[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000653903166 411219630 /nfs/dbraw/zinc/21/96/30/411219630.db2.gz GDQNFQMJJZGVBL-NSHDSACASA-N 2 1 237.347 1.198 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000310327201 411233208 /nfs/dbraw/zinc/23/32/08/411233208.db2.gz AXFUIGJJKZFBHF-QWHCGFSZSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422903575 411234743 /nfs/dbraw/zinc/23/47/43/411234743.db2.gz FRQDHOBUBHHWKU-TUAOUCFPSA-N 2 1 213.369 1.186 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422905643 411235496 /nfs/dbraw/zinc/23/54/96/411235496.db2.gz IMSZIKSIPWEXAY-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CCC[NH2+]C)cn1 ZINC000423202862 411238305 /nfs/dbraw/zinc/23/83/05/411238305.db2.gz RNKNUZLOIVEQCF-SNVBAGLBSA-N 2 1 210.325 1.163 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1(CO)CC1 ZINC000658159782 411273154 /nfs/dbraw/zinc/27/31/54/411273154.db2.gz KVUZTLMXIRWMOZ-IJLUTSLNSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1(CO)CC1 ZINC000658159782 411273158 /nfs/dbraw/zinc/27/31/58/411273158.db2.gz KVUZTLMXIRWMOZ-IJLUTSLNSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401659275 411274147 /nfs/dbraw/zinc/27/41/47/411274147.db2.gz WNTATYFKUKAIJW-NEPJUHHUSA-N 2 1 214.353 1.389 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000658189991 411286136 /nfs/dbraw/zinc/28/61/36/411286136.db2.gz BAIVNXGAASJQIW-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655777419 411295850 /nfs/dbraw/zinc/29/58/50/411295850.db2.gz SIFMIBWSAQRNID-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CC2)CC[N@H+]1C ZINC000658252120 411314487 /nfs/dbraw/zinc/31/44/87/411314487.db2.gz YQAQSCLMYIKVPQ-XBFCOCLRSA-N 2 1 240.391 1.467 20 0 BDADMP FCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655769444 411251172 /nfs/dbraw/zinc/25/11/72/411251172.db2.gz IHRIQBPAUIZWIL-CYBMUJFWSA-N 2 1 244.354 1.579 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(N)c1 ZINC000656785096 411354756 /nfs/dbraw/zinc/35/47/56/411354756.db2.gz LHEKWYVZIJEZMY-CYBMUJFWSA-N 2 1 221.348 1.732 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccccn1 ZINC000656782640 411359892 /nfs/dbraw/zinc/35/98/92/411359892.db2.gz HZPODIIBMMJGJW-XQQFMLRXSA-N 2 1 233.359 1.773 20 0 BDADMP C[C@@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccccn1 ZINC000656782638 411360231 /nfs/dbraw/zinc/36/02/31/411360231.db2.gz HZPODIIBMMJGJW-RWMBFGLXSA-N 2 1 233.359 1.773 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccccn1 ZINC000656782636 411360249 /nfs/dbraw/zinc/36/02/49/411360249.db2.gz HZPODIIBMMJGJW-AVGNSLFASA-N 2 1 233.359 1.773 20 0 BDADMP COC(=O)CCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123476470 411367944 /nfs/dbraw/zinc/36/79/44/411367944.db2.gz SOWHDSMDMCUKSM-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123476470 411367953 /nfs/dbraw/zinc/36/79/53/411367953.db2.gz SOWHDSMDMCUKSM-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123476470 411367955 /nfs/dbraw/zinc/36/79/55/411367955.db2.gz SOWHDSMDMCUKSM-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC)[C@@H](C)C1 ZINC000658330362 411338104 /nfs/dbraw/zinc/33/81/04/411338104.db2.gz CXUQZWGXELNXBP-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CCC2)C1 ZINC000653763485 411344103 /nfs/dbraw/zinc/34/41/03/411344103.db2.gz LZDFPVCYYDQNOS-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000653763485 411344105 /nfs/dbraw/zinc/34/41/05/411344105.db2.gz LZDFPVCYYDQNOS-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000653763485 411344107 /nfs/dbraw/zinc/34/41/07/411344107.db2.gz LZDFPVCYYDQNOS-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000063195724 411348042 /nfs/dbraw/zinc/34/80/42/411348042.db2.gz IGJHLVAFQFHWMU-RWMBFGLXSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC000063195724 411348044 /nfs/dbraw/zinc/34/80/44/411348044.db2.gz IGJHLVAFQFHWMU-RWMBFGLXSA-N 2 1 226.364 1.757 20 0 BDADMP CC1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000309798632 168164764 /nfs/dbraw/zinc/16/47/64/168164764.db2.gz QSXCZXVUEREHRG-BPCQOVAHSA-N 2 1 226.364 1.221 20 0 BDADMP CC1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000309798632 168164766 /nfs/dbraw/zinc/16/47/66/168164766.db2.gz QSXCZXVUEREHRG-BPCQOVAHSA-N 2 1 226.364 1.221 20 0 BDADMP CCC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365377486 168202405 /nfs/dbraw/zinc/20/24/05/168202405.db2.gz FXKITSRATKNNNV-LBPRGKRZSA-N 2 1 226.364 1.772 20 0 BDADMP CCC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365377486 168202408 /nfs/dbraw/zinc/20/24/08/168202408.db2.gz FXKITSRATKNNNV-LBPRGKRZSA-N 2 1 226.364 1.772 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2ccn(C)n2)[C@@H]1CC[NH3+] ZINC000404364953 411391565 /nfs/dbraw/zinc/39/15/65/411391565.db2.gz GRHFWCIDMMAFPZ-WCQYABFASA-N 2 1 236.363 1.369 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@@H]1CC[NH3+] ZINC000404364953 411391567 /nfs/dbraw/zinc/39/15/67/411391567.db2.gz GRHFWCIDMMAFPZ-WCQYABFASA-N 2 1 236.363 1.369 20 0 BDADMP CCC(C)(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336677821 168286275 /nfs/dbraw/zinc/28/62/75/168286275.db2.gz WITYKICVRSNGNZ-GFCCVEGCSA-N 2 1 228.380 1.562 20 0 BDADMP CCC(C)(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336677821 168286278 /nfs/dbraw/zinc/28/62/78/168286278.db2.gz WITYKICVRSNGNZ-GFCCVEGCSA-N 2 1 228.380 1.562 20 0 BDADMP CCC(C)(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336677821 168286280 /nfs/dbraw/zinc/28/62/80/168286280.db2.gz WITYKICVRSNGNZ-GFCCVEGCSA-N 2 1 228.380 1.562 20 0 BDADMP CCC(C)(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336677821 168286283 /nfs/dbraw/zinc/28/62/83/168286283.db2.gz WITYKICVRSNGNZ-GFCCVEGCSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CO1 ZINC000657312034 411459582 /nfs/dbraw/zinc/45/95/82/411459582.db2.gz CPRUBBUDOLZTAM-DGAVXFQQSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CO1 ZINC000657312034 411459583 /nfs/dbraw/zinc/45/95/83/411459583.db2.gz CPRUBBUDOLZTAM-DGAVXFQQSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)[C@@H]1CC[NH3+] ZINC000404398660 411393246 /nfs/dbraw/zinc/39/32/46/411393246.db2.gz PURXOYVYUIZBRI-DGCLKSJQSA-N 2 1 236.363 1.369 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404491665 411399600 /nfs/dbraw/zinc/39/96/00/411399600.db2.gz BGEWAIGNIFYKKZ-JHJVBQTASA-N 2 1 228.380 1.718 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000404625105 411402870 /nfs/dbraw/zinc/40/28/70/411402870.db2.gz CDXAXNSWQYPPMP-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404654831 411403201 /nfs/dbraw/zinc/40/32/01/411403201.db2.gz OYICYFNUSHACRS-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP CCO[C@@H]1C[N@@H+]([C@@H](C)c2cccnc2)C[C@H]1C[NH3+] ZINC000405256195 411422142 /nfs/dbraw/zinc/42/21/42/411422142.db2.gz NJLBMECQXBDQEM-IACUBPJLSA-N 2 1 249.358 1.438 20 0 BDADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2cccnc2)C[C@H]1C[NH3+] ZINC000405256195 411422147 /nfs/dbraw/zinc/42/21/47/411422147.db2.gz NJLBMECQXBDQEM-IACUBPJLSA-N 2 1 249.358 1.438 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C[NH3+] ZINC000405533067 411433795 /nfs/dbraw/zinc/43/37/95/411433795.db2.gz NOAZLWRCHFLZGE-MGPQQGTHSA-N 2 1 242.407 1.964 20 0 BDADMP CC(C)(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000405972851 411448559 /nfs/dbraw/zinc/44/85/59/411448559.db2.gz VVFHRZRCNCRECG-TXEJJXNPSA-N 2 1 222.376 1.964 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414978533 411478317 /nfs/dbraw/zinc/47/83/17/411478317.db2.gz MGXCAAKIUWFZAB-GFCCVEGCSA-N 2 1 245.330 1.094 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CO1 ZINC000657376527 411485667 /nfs/dbraw/zinc/48/56/67/411485667.db2.gz RRJIMERWVSTKBG-MROQNXINSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CO1 ZINC000657376527 411485670 /nfs/dbraw/zinc/48/56/70/411485670.db2.gz RRJIMERWVSTKBG-MROQNXINSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)CO1 ZINC000657450105 411511611 /nfs/dbraw/zinc/51/16/11/411511611.db2.gz IMUIVGLNWIYYSQ-JHJVBQTASA-N 2 1 249.358 1.603 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC000037797620 170008194 /nfs/dbraw/zinc/00/81/94/170008194.db2.gz LMFPLAGHABDGDX-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC000037797620 170008197 /nfs/dbraw/zinc/00/81/97/170008197.db2.gz LMFPLAGHABDGDX-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCC2CC2)[C@@H](C)C1 ZINC000358078094 170012072 /nfs/dbraw/zinc/01/20/72/170012072.db2.gz DKAOYPZVBUKNAP-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000319508463 170015331 /nfs/dbraw/zinc/01/53/31/170015331.db2.gz XGCGZMJGKOGPLT-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360416466 170017366 /nfs/dbraw/zinc/01/73/66/170017366.db2.gz IFGADPOCTBRJGY-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000360416466 170017368 /nfs/dbraw/zinc/01/73/68/170017368.db2.gz IFGADPOCTBRJGY-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360416466 170017369 /nfs/dbraw/zinc/01/73/69/170017369.db2.gz IFGADPOCTBRJGY-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360416466 170017370 /nfs/dbraw/zinc/01/73/70/170017370.db2.gz IFGADPOCTBRJGY-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000360416466 170017371 /nfs/dbraw/zinc/01/73/71/170017371.db2.gz IFGADPOCTBRJGY-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000360416466 170017372 /nfs/dbraw/zinc/01/73/72/170017372.db2.gz IFGADPOCTBRJGY-MGPQQGTHSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484180 170017384 /nfs/dbraw/zinc/01/73/84/170017384.db2.gz FYNYSHHEZMSPSP-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484188 170017466 /nfs/dbraw/zinc/01/74/66/170017466.db2.gz PUXBJHISYDHREO-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484188 170017467 /nfs/dbraw/zinc/01/74/67/170017467.db2.gz PUXBJHISYDHREO-CYBMUJFWSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCO)C[C@@H]1C ZINC000336650805 170018513 /nfs/dbraw/zinc/01/85/13/170018513.db2.gz TVUZJAMTSLRBLA-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCO)C[C@@H]1C ZINC000336650805 170018515 /nfs/dbraw/zinc/01/85/15/170018515.db2.gz TVUZJAMTSLRBLA-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCO)C[C@@H]1C ZINC000336650805 170018516 /nfs/dbraw/zinc/01/85/16/170018516.db2.gz TVUZJAMTSLRBLA-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(C)COC2)C[C@H]1C ZINC000336713676 170019038 /nfs/dbraw/zinc/01/90/38/170019038.db2.gz STKFNAXWAJJEOL-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(C)COC2)C[C@H]1C ZINC000336713676 170019040 /nfs/dbraw/zinc/01/90/40/170019040.db2.gz STKFNAXWAJJEOL-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(C)COC2)C[C@H]1C ZINC000336713676 170019042 /nfs/dbraw/zinc/01/90/42/170019042.db2.gz STKFNAXWAJJEOL-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000336885763 170022942 /nfs/dbraw/zinc/02/29/42/170022942.db2.gz AWSZURGFQSPAHL-RWMBFGLXSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000336885763 170022943 /nfs/dbraw/zinc/02/29/43/170022943.db2.gz AWSZURGFQSPAHL-RWMBFGLXSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000336885763 170022944 /nfs/dbraw/zinc/02/29/44/170022944.db2.gz AWSZURGFQSPAHL-RWMBFGLXSA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@@H+]1C[C@H](NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000336674667 170036209 /nfs/dbraw/zinc/03/62/09/170036209.db2.gz AXDSBBBDLCYYMM-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+]1C[C@H](NCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000336674667 170036211 /nfs/dbraw/zinc/03/62/11/170036211.db2.gz AXDSBBBDLCYYMM-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+]1C[C@H](NCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000336674667 170036212 /nfs/dbraw/zinc/03/62/12/170036212.db2.gz AXDSBBBDLCYYMM-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000657559902 411551457 /nfs/dbraw/zinc/55/14/57/411551457.db2.gz BDYXCAMJEJCHGM-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCO1 ZINC000657566470 411553159 /nfs/dbraw/zinc/55/31/59/411553159.db2.gz JBKWVUORVNWMBP-LBPRGKRZSA-N 2 1 235.331 1.416 20 0 BDADMP CC(C)C([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000660213396 411553447 /nfs/dbraw/zinc/55/34/47/411553447.db2.gz SQUNTHXQZADFSF-ZDUSSCGKSA-N 2 1 244.423 1.958 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000660305228 411566128 /nfs/dbraw/zinc/56/61/28/411566128.db2.gz KYKIXQYBBQJXTO-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000660305228 411566129 /nfs/dbraw/zinc/56/61/29/411566129.db2.gz KYKIXQYBBQJXTO-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000660305228 411566130 /nfs/dbraw/zinc/56/61/30/411566130.db2.gz KYKIXQYBBQJXTO-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC2(CC2)C1 ZINC000660305228 411566131 /nfs/dbraw/zinc/56/61/31/411566131.db2.gz KYKIXQYBBQJXTO-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1ccncc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000657587900 411558008 /nfs/dbraw/zinc/55/80/08/411558008.db2.gz JVMJFOVQGJYYBJ-UHFFFAOYSA-N 2 1 233.359 1.616 20 0 BDADMP C[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C1(CO)CC1 ZINC000657607716 411561181 /nfs/dbraw/zinc/56/11/81/411561181.db2.gz MQRRLCAXHPDFLS-LLVKDONJSA-N 2 1 249.358 1.398 20 0 BDADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189921 170266058 /nfs/dbraw/zinc/26/60/58/170266058.db2.gz PYPRNJHPAYUUOB-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP CCOC1CC([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000336779406 170327859 /nfs/dbraw/zinc/32/78/59/170327859.db2.gz OEJROMOMEBESHI-UHFFFAOYSA-N 2 1 224.348 1.405 20 0 BDADMP CCOCC[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000361955468 170392929 /nfs/dbraw/zinc/39/29/29/170392929.db2.gz QBQVVADTPXAIMT-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CCOCC[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000361955468 170392931 /nfs/dbraw/zinc/39/29/31/170392931.db2.gz QBQVVADTPXAIMT-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CCOCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000377200011 170397900 /nfs/dbraw/zinc/39/79/00/170397900.db2.gz WJLPKBLOOVKZFT-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP CCOCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000377200011 170397901 /nfs/dbraw/zinc/39/79/01/170397901.db2.gz WJLPKBLOOVKZFT-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP CCOCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063195297 170398385 /nfs/dbraw/zinc/39/83/85/170398385.db2.gz PPAFFHSLSCRNGJ-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063195297 170398386 /nfs/dbraw/zinc/39/83/86/170398386.db2.gz PPAFFHSLSCRNGJ-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657790096 411596979 /nfs/dbraw/zinc/59/69/79/411596979.db2.gz NCXKADLYMLIZFJ-LPWJVIDDSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCOC1)C2 ZINC000660654868 411612994 /nfs/dbraw/zinc/61/29/94/411612994.db2.gz IQVSKNNCYPUUMY-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCOC1)C2 ZINC000660654868 411612996 /nfs/dbraw/zinc/61/29/96/411612996.db2.gz IQVSKNNCYPUUMY-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCOC1)C2 ZINC000660654868 411612998 /nfs/dbraw/zinc/61/29/98/411612998.db2.gz IQVSKNNCYPUUMY-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@H](O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660815 411613708 /nfs/dbraw/zinc/61/37/08/411613708.db2.gz AWGCXOMRKVMIFN-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660815 411613709 /nfs/dbraw/zinc/61/37/09/411613709.db2.gz AWGCXOMRKVMIFN-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660815 411613710 /nfs/dbraw/zinc/61/37/10/411613710.db2.gz AWGCXOMRKVMIFN-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CCCC2)CCO1 ZINC000133337785 411712418 /nfs/dbraw/zinc/71/24/18/411712418.db2.gz TVAWOTIAYBNBKA-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CCCC2)CCO1 ZINC000133337785 411712420 /nfs/dbraw/zinc/71/24/20/411712420.db2.gz TVAWOTIAYBNBKA-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1cc(CO)cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000663661157 411716978 /nfs/dbraw/zinc/71/69/78/411716978.db2.gz OHZZNABBZZRMEI-YPMHNXCESA-N 2 1 249.358 1.777 20 0 BDADMP Cc1cc(CO)cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000663661157 411716979 /nfs/dbraw/zinc/71/69/79/411716979.db2.gz OHZZNABBZZRMEI-YPMHNXCESA-N 2 1 249.358 1.777 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](COC)CC(C)C ZINC000663512085 411694332 /nfs/dbraw/zinc/69/43/32/411694332.db2.gz FHPKOVSOEHCIRN-QWRGUYRKSA-N 2 1 202.342 1.245 20 0 BDADMP Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc[nH+]1 ZINC000664242451 411894602 /nfs/dbraw/zinc/89/46/02/411894602.db2.gz NYDAKTUURIFDLJ-QWHCGFSZSA-N 2 1 249.358 1.333 20 0 BDADMP Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc[nH+]1 ZINC000664242451 411894604 /nfs/dbraw/zinc/89/46/04/411894604.db2.gz NYDAKTUURIFDLJ-QWHCGFSZSA-N 2 1 249.358 1.333 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664244093 411895707 /nfs/dbraw/zinc/89/57/07/411895707.db2.gz VTZKYEHTAJYPKR-QWHCGFSZSA-N 2 1 249.358 1.333 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664244093 411895711 /nfs/dbraw/zinc/89/57/11/411895711.db2.gz VTZKYEHTAJYPKR-QWHCGFSZSA-N 2 1 249.358 1.333 20 0 BDADMP C[C@H](CCNc1cc[nH+]cc1Cl)[NH+](C)C ZINC000664245048 411897375 /nfs/dbraw/zinc/89/73/75/411897375.db2.gz NKKBFHAELKAFDB-SECBINFHSA-N 2 1 227.739 1.909 20 0 BDADMP CCC[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151734 412009420 /nfs/dbraw/zinc/00/94/20/412009420.db2.gz JWZXLWYWXYJAMT-JSGCOSHPSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000664719746 412014856 /nfs/dbraw/zinc/01/48/56/412014856.db2.gz XIBFCXCAAVQYNY-WDEREUQCSA-N 2 1 243.395 1.206 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[NH2+]CC1)C1CCC1 ZINC000662234071 412032228 /nfs/dbraw/zinc/03/22/28/412032228.db2.gz BISKEVJUVMBUDP-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@H](C[N@H+]1CCC[NH2+]CC1)C1CCC1 ZINC000662234071 412032231 /nfs/dbraw/zinc/03/22/31/412032231.db2.gz BISKEVJUVMBUDP-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@H](C[N@@H+](C)CCC[NH3+])C1CCCCC1 ZINC000662244669 412041092 /nfs/dbraw/zinc/04/10/92/412041092.db2.gz JLSLXQBZIGFICQ-CYBMUJFWSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1nnc([C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)[nH]1 ZINC000662246709 412043813 /nfs/dbraw/zinc/04/38/13/412043813.db2.gz QJJDKKBQFNQDRB-IUCAKERBSA-N 2 1 237.351 1.233 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249938 412046385 /nfs/dbraw/zinc/04/63/85/412046385.db2.gz VSCRIIWQYKSUEZ-XQQFMLRXSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](OC)C2CCC2)CC[C@@H]1[NH3+] ZINC000662270437 412060080 /nfs/dbraw/zinc/06/00/80/412060080.db2.gz KTWIITSETNQHAL-KWCYVHTRSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249401 412047713 /nfs/dbraw/zinc/04/77/13/412047713.db2.gz MDJWWBMLZNMSSF-RYUDHWBXSA-N 2 1 224.348 1.382 20 0 BDADMP CC1(C)CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252117 412048885 /nfs/dbraw/zinc/04/88/85/412048885.db2.gz JYQRNTLEFCSDEU-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP OCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662251050 412049317 /nfs/dbraw/zinc/04/93/17/412049317.db2.gz WWERGKIYLHHLCK-UHFFFAOYSA-N 2 1 246.354 1.289 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252873 412049722 /nfs/dbraw/zinc/04/97/22/412049722.db2.gz QTIWYRXRCXMLDM-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252121 412050118 /nfs/dbraw/zinc/05/01/18/412050118.db2.gz MDHUSJSEGYTEJB-VXGBXAGGSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256603 412051941 /nfs/dbraw/zinc/05/19/41/412051941.db2.gz WSXCCYYUKDPVSW-YNEHKIRRSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255477 412051997 /nfs/dbraw/zinc/05/19/97/412051997.db2.gz PTTWEOACDYWJSY-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258861 412054016 /nfs/dbraw/zinc/05/40/16/412054016.db2.gz MWMPVPJOELXIFE-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258699 412054360 /nfs/dbraw/zinc/05/43/60/412054360.db2.gz ZCDBKUDNOPYZGB-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ncn1 ZINC000662265701 412057825 /nfs/dbraw/zinc/05/78/25/412057825.db2.gz HZJWAGGTXXVQFN-IACUBPJLSA-N 2 1 246.358 1.344 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310485281 171054959 /nfs/dbraw/zinc/05/49/59/171054959.db2.gz GAQLLHOYDLSLMA-SCRDCRAPSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310485281 171054962 /nfs/dbraw/zinc/05/49/62/171054962.db2.gz GAQLLHOYDLSLMA-SCRDCRAPSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310485281 171054965 /nfs/dbraw/zinc/05/49/65/171054965.db2.gz GAQLLHOYDLSLMA-SCRDCRAPSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310485281 171054969 /nfs/dbraw/zinc/05/49/69/171054969.db2.gz GAQLLHOYDLSLMA-SCRDCRAPSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cc(C)nc(C)n2)CC[C@@H]1[NH3+] ZINC000662270133 412061053 /nfs/dbraw/zinc/06/10/53/412061053.db2.gz IMLHAGDYBADSTR-JSGCOSHPSA-N 2 1 248.374 1.653 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cc(C)nc(C)n2)CC[C@@H]1[NH3+] ZINC000662270133 412061055 /nfs/dbraw/zinc/06/10/55/412061055.db2.gz IMLHAGDYBADSTR-JSGCOSHPSA-N 2 1 248.374 1.653 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000662271529 412064136 /nfs/dbraw/zinc/06/41/36/412064136.db2.gz VVXOLZAQZFSHON-PWSUYJOCSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000662271529 412064138 /nfs/dbraw/zinc/06/41/38/412064138.db2.gz VVXOLZAQZFSHON-PWSUYJOCSA-N 2 1 237.347 1.796 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919121 171110360 /nfs/dbraw/zinc/11/03/60/171110360.db2.gz YLBKTLOYNUDGFU-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CCC1 ZINC000662277831 412069388 /nfs/dbraw/zinc/06/93/88/412069388.db2.gz XTEQCWCKVWLWOU-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)C1CCC1 ZINC000662277831 412069389 /nfs/dbraw/zinc/06/93/89/412069389.db2.gz XTEQCWCKVWLWOU-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCCC1(C)C ZINC000662278641 412071039 /nfs/dbraw/zinc/07/10/39/412071039.db2.gz ZTWNGSRGRHBUMG-NWDGAFQWSA-N 2 1 228.380 1.454 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCCC1 ZINC000662278080 412071359 /nfs/dbraw/zinc/07/13/59/412071359.db2.gz VIFLYQZAGTXBHU-RAIGVLPGSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCCC1 ZINC000662278080 412071361 /nfs/dbraw/zinc/07/13/61/412071361.db2.gz VIFLYQZAGTXBHU-RAIGVLPGSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280832 412073438 /nfs/dbraw/zinc/07/34/38/412073438.db2.gz GECCOVXTEAQBCX-KWCYVHTRSA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361038481 171308035 /nfs/dbraw/zinc/30/80/35/171308035.db2.gz PDRUZIFOMQHFAQ-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361038481 171308037 /nfs/dbraw/zinc/30/80/37/171308037.db2.gz PDRUZIFOMQHFAQ-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361038481 171308039 /nfs/dbraw/zinc/30/80/39/171308039.db2.gz PDRUZIFOMQHFAQ-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380704 171325300 /nfs/dbraw/zinc/32/53/00/171325300.db2.gz JMWZVKUDQLJDQP-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380704 171325302 /nfs/dbraw/zinc/32/53/02/171325302.db2.gz JMWZVKUDQLJDQP-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCc2ccc(C)cc2C1 ZINC000662299600 412086375 /nfs/dbraw/zinc/08/63/75/412086375.db2.gz SEHJFMLOFRFIBZ-UHFFFAOYSA-N 2 1 218.344 1.963 20 0 BDADMP C[NH2+]CCC[N@H+]1CCc2ccc(C)cc2C1 ZINC000662299600 412086379 /nfs/dbraw/zinc/08/63/79/412086379.db2.gz SEHJFMLOFRFIBZ-UHFFFAOYSA-N 2 1 218.344 1.963 20 0 BDADMP CC1(C)C[N@H+](CC[NH3+])CCc2ccccc21 ZINC000662299078 412087679 /nfs/dbraw/zinc/08/76/79/412087679.db2.gz JVKVHXBMCOGNOG-UHFFFAOYSA-N 2 1 218.344 1.781 20 0 BDADMP CC1(C)C[N@@H+](CC[NH3+])CCc2ccccc21 ZINC000662299078 412087682 /nfs/dbraw/zinc/08/76/82/412087682.db2.gz JVKVHXBMCOGNOG-UHFFFAOYSA-N 2 1 218.344 1.781 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000662312532 412094189 /nfs/dbraw/zinc/09/41/89/412094189.db2.gz HQUNDULDBXLKRD-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000662312534 412094275 /nfs/dbraw/zinc/09/42/75/412094275.db2.gz HQUNDULDBXLKRD-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662314206 412096885 /nfs/dbraw/zinc/09/68/85/412096885.db2.gz BPOHKBWWHUCTSY-STQMWFEESA-N 2 1 224.348 1.098 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(c2ccon2)CC1 ZINC000662317706 412098055 /nfs/dbraw/zinc/09/80/55/412098055.db2.gz QSAJRZAPEXHEQS-UHFFFAOYSA-N 2 1 223.320 1.464 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236814 412176024 /nfs/dbraw/zinc/17/60/24/412176024.db2.gz VBTIMUMDIFLIKX-SRVKXCTJSA-N 2 1 227.396 1.575 20 0 BDADMP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@H]2CCCO[C@H]21 ZINC000665242572 412187287 /nfs/dbraw/zinc/18/72/87/412187287.db2.gz BMODXOXRZILATL-IRCOFANPSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH2+]CCc1ccoc1)[C@@H]1CCCC[NH2+]1 ZINC000665263535 412207108 /nfs/dbraw/zinc/20/71/08/412207108.db2.gz OOBYPTVYWLDINP-AAEUAGOBSA-N 2 1 222.332 1.942 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH2+]C ZINC000662532578 412207179 /nfs/dbraw/zinc/20/71/79/412207179.db2.gz RRIITTALJGQOLB-NWDGAFQWSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000665267528 412210327 /nfs/dbraw/zinc/21/03/27/412210327.db2.gz YHCSJAFZUZNDNX-BBBLOLIVSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)[C@H]1CCC[NH2+]1 ZINC000665271720 412213639 /nfs/dbraw/zinc/21/36/39/412213639.db2.gz RDPZPEVHPZQCRH-KMUNFCNLSA-N 2 1 245.370 1.986 20 0 BDADMP COC1CC(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000665230006 412167601 /nfs/dbraw/zinc/16/76/01/412167601.db2.gz HJBITECZGZVKJC-YWPUVAFDSA-N 2 1 226.364 1.389 20 0 BDADMP COC1CC(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000665230949 412167674 /nfs/dbraw/zinc/16/76/74/412167674.db2.gz ZDMOAPBDOZGCCL-UNXYVOJBSA-N 2 1 249.358 1.960 20 0 BDADMP Nc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000665232474 412170137 /nfs/dbraw/zinc/17/01/37/412170137.db2.gz NOISSLRWLYRPEE-RYUDHWBXSA-N 2 1 205.305 1.238 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665274245 412216669 /nfs/dbraw/zinc/21/66/69/412216669.db2.gz MGQZTSFFPDPSFV-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665274245 412216670 /nfs/dbraw/zinc/21/66/70/412216670.db2.gz MGQZTSFFPDPSFV-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665274302 412216761 /nfs/dbraw/zinc/21/67/61/412216761.db2.gz NEFRJFHHLQVUGP-BFHYXJOUSA-N 2 1 239.407 1.591 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665274139 412218186 /nfs/dbraw/zinc/21/81/86/412218186.db2.gz KPBKTTHBRUULMV-BFHYXJOUSA-N 2 1 239.407 1.720 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665274139 412218188 /nfs/dbraw/zinc/21/81/88/412218188.db2.gz KPBKTTHBRUULMV-BFHYXJOUSA-N 2 1 239.407 1.720 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000665276099 412218886 /nfs/dbraw/zinc/21/88/86/412218886.db2.gz YLLVSYYIUMVANU-FPMFFAJLSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000665284044 412228600 /nfs/dbraw/zinc/22/86/00/412228600.db2.gz ZKXSHVZAYRERGI-QJPTWQEYSA-N 3 1 213.369 1.077 20 0 BDADMP OC1(CC[N@H+]2CCC[C@@H](n3ccnc3)C2)CCC1 ZINC000662751198 412291330 /nfs/dbraw/zinc/29/13/30/412291330.db2.gz PTHJPMADINPMGV-CYBMUJFWSA-N 2 1 249.358 1.825 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000333321666 172019937 /nfs/dbraw/zinc/01/99/37/172019937.db2.gz UPTNIQVAUVJJKH-PWSUYJOCSA-N 2 1 237.347 1.715 20 0 BDADMP CCn1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000126963680 172167947 /nfs/dbraw/zinc/16/79/47/172167947.db2.gz GDPNKRQUGJPDFD-QWRGUYRKSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000276207867 172193159 /nfs/dbraw/zinc/19/31/59/172193159.db2.gz AMYNMSCVAABKJJ-LLVKDONJSA-N 2 1 247.346 1.530 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccn2)CC1 ZINC000076647807 173021592 /nfs/dbraw/zinc/02/15/92/173021592.db2.gz AYRLZPCUMWYMRR-GFCCVEGCSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccn2)CC1 ZINC000076647807 173021595 /nfs/dbraw/zinc/02/15/95/173021595.db2.gz AYRLZPCUMWYMRR-GFCCVEGCSA-N 2 1 219.332 1.656 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000336714273 173026636 /nfs/dbraw/zinc/02/66/36/173026636.db2.gz QNFIFKCQABDPAX-RFQIPJPRSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000336714273 173026638 /nfs/dbraw/zinc/02/66/38/173026638.db2.gz QNFIFKCQABDPAX-RFQIPJPRSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(O)CC1 ZINC000336543065 173027279 /nfs/dbraw/zinc/02/72/79/173027279.db2.gz FMLQYTZQVRCBPA-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000336543065 173027281 /nfs/dbraw/zinc/02/72/81/173027281.db2.gz FMLQYTZQVRCBPA-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000336543065 173027284 /nfs/dbraw/zinc/02/72/84/173027284.db2.gz FMLQYTZQVRCBPA-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)CC1CC1 ZINC000336702086 173027624 /nfs/dbraw/zinc/02/76/24/173027624.db2.gz MZJKKHFUTTVGAQ-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)CC1CC1 ZINC000336702086 173027628 /nfs/dbraw/zinc/02/76/28/173027628.db2.gz MZJKKHFUTTVGAQ-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)CC1CC1 ZINC000336702086 173027630 /nfs/dbraw/zinc/02/76/30/173027630.db2.gz MZJKKHFUTTVGAQ-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccn3)CC[C@@H]21 ZINC000158561719 173037560 /nfs/dbraw/zinc/03/75/60/173037560.db2.gz FJPFYDWDUZMQLZ-HIFRSBDPSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccn3)CC[C@@H]21 ZINC000158561719 173037562 /nfs/dbraw/zinc/03/75/62/173037562.db2.gz FJPFYDWDUZMQLZ-HIFRSBDPSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000158561719 173037563 /nfs/dbraw/zinc/03/75/63/173037563.db2.gz FJPFYDWDUZMQLZ-HIFRSBDPSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000158561719 173037566 /nfs/dbraw/zinc/03/75/66/173037566.db2.gz FJPFYDWDUZMQLZ-HIFRSBDPSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3(C)COC3)C2)C1 ZINC000339426160 173039911 /nfs/dbraw/zinc/03/99/11/173039911.db2.gz LDDXZRBWCPTWEH-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3(C)COC3)C2)C1 ZINC000339426160 173039912 /nfs/dbraw/zinc/03/99/12/173039912.db2.gz LDDXZRBWCPTWEH-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3(C)COC3)C2)C1 ZINC000339426160 173039914 /nfs/dbraw/zinc/03/99/14/173039914.db2.gz LDDXZRBWCPTWEH-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000054243340 173040952 /nfs/dbraw/zinc/04/09/52/173040952.db2.gz YXXSRGBUYPEMEL-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCO)C[C@@H]1c1ccccc1 ZINC000340181242 173151848 /nfs/dbraw/zinc/15/18/48/173151848.db2.gz NTGRGKKFVPLZQY-UONOGXRCSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCO)C[C@@H]1c1ccccc1 ZINC000340181242 173151850 /nfs/dbraw/zinc/15/18/50/173151850.db2.gz NTGRGKKFVPLZQY-UONOGXRCSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2CC2)[C@H]2CCC[C@H]21 ZINC000367639970 173152975 /nfs/dbraw/zinc/15/29/75/173152975.db2.gz YFPQLUIAEHNQTI-FRRDWIJNSA-N 2 1 208.349 1.859 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000353401918 173154211 /nfs/dbraw/zinc/15/42/11/173154211.db2.gz IYQCVPNVWZMWSP-HZSPNIEDSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)[C@@H]2CCC[C@@H]21 ZINC000336775591 173154455 /nfs/dbraw/zinc/15/44/55/173154455.db2.gz ZKQQUFCFLZAYPA-VOAKCMCISA-N 2 1 224.348 1.238 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353504739 173155437 /nfs/dbraw/zinc/15/54/37/173155437.db2.gz SSZNOEDJKQQGDC-FRRDWIJNSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353504739 173155439 /nfs/dbraw/zinc/15/54/39/173155439.db2.gz SSZNOEDJKQQGDC-FRRDWIJNSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCCF)[C@@H]2C1 ZINC000367143689 173159550 /nfs/dbraw/zinc/15/95/50/173159550.db2.gz LAJDKWIRFLESTJ-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CCCCF)[C@@H]2C1 ZINC000367143689 173159551 /nfs/dbraw/zinc/15/95/51/173159551.db2.gz LAJDKWIRFLESTJ-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CCCCF)[C@@H]2C1 ZINC000367143689 173159552 /nfs/dbraw/zinc/15/95/52/173159552.db2.gz LAJDKWIRFLESTJ-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCCF)[C@@H]2C1 ZINC000367143689 173159554 /nfs/dbraw/zinc/15/95/54/173159554.db2.gz LAJDKWIRFLESTJ-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCF)[C@@H]2C1 ZINC000367423916 173160613 /nfs/dbraw/zinc/16/06/13/173160613.db2.gz NQTOXGYUSUNXPV-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CCCF)[C@@H]2C1 ZINC000367423916 173160615 /nfs/dbraw/zinc/16/06/15/173160615.db2.gz NQTOXGYUSUNXPV-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CCCF)[C@@H]2C1 ZINC000367423916 173160617 /nfs/dbraw/zinc/16/06/17/173160617.db2.gz NQTOXGYUSUNXPV-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCF)[C@@H]2C1 ZINC000367423916 173160618 /nfs/dbraw/zinc/16/06/18/173160618.db2.gz NQTOXGYUSUNXPV-WDEREUQCSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(O)c3)C2)C1 ZINC000292747701 173167392 /nfs/dbraw/zinc/16/73/92/173167392.db2.gz IDMJGJJHQWQAQM-HNNXBMFYSA-N 2 1 246.354 1.920 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(O)c3)C2)C1 ZINC000292747701 173167393 /nfs/dbraw/zinc/16/73/93/173167393.db2.gz IDMJGJJHQWQAQM-HNNXBMFYSA-N 2 1 246.354 1.920 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(O)c3)C2)C1 ZINC000292747701 173167394 /nfs/dbraw/zinc/16/73/94/173167394.db2.gz IDMJGJJHQWQAQM-HNNXBMFYSA-N 2 1 246.354 1.920 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(O)c3)C2)C1 ZINC000292747701 173167396 /nfs/dbraw/zinc/16/73/96/173167396.db2.gz IDMJGJJHQWQAQM-HNNXBMFYSA-N 2 1 246.354 1.920 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3cccnc3)C2)C1 ZINC000292094534 173168169 /nfs/dbraw/zinc/16/81/69/173168169.db2.gz HCUFVGCVXFHEEU-HNNXBMFYSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3cccnc3)C2)C1 ZINC000292094534 173168172 /nfs/dbraw/zinc/16/81/72/173168172.db2.gz HCUFVGCVXFHEEU-HNNXBMFYSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cccnc3)C2)C1 ZINC000292094534 173168174 /nfs/dbraw/zinc/16/81/74/173168174.db2.gz HCUFVGCVXFHEEU-HNNXBMFYSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000049258826 173322537 /nfs/dbraw/zinc/32/25/37/173322537.db2.gz VHLCFQSIRCYOEU-UHFFFAOYSA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1cccc(OC)c1 ZINC000042442194 173345794 /nfs/dbraw/zinc/34/57/94/173345794.db2.gz MKZFUNOPBUCNFS-UHFFFAOYSA-N 2 1 222.332 1.737 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(OC)c1 ZINC000042442194 173345795 /nfs/dbraw/zinc/34/57/95/173345795.db2.gz MKZFUNOPBUCNFS-UHFFFAOYSA-N 2 1 222.332 1.737 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOc1ccccc1C ZINC000124924003 173346216 /nfs/dbraw/zinc/34/62/16/173346216.db2.gz UWDUHQAKSBAGMA-UHFFFAOYSA-N 2 1 236.359 1.915 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOc1ccccc1C ZINC000124924003 173346217 /nfs/dbraw/zinc/34/62/17/173346217.db2.gz UWDUHQAKSBAGMA-UHFFFAOYSA-N 2 1 236.359 1.915 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000124759414 173346502 /nfs/dbraw/zinc/34/65/02/173346502.db2.gz DXJUPNVKCBSNJD-UHFFFAOYSA-N 2 1 238.331 1.442 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000124759414 173346503 /nfs/dbraw/zinc/34/65/03/173346503.db2.gz DXJUPNVKCBSNJD-UHFFFAOYSA-N 2 1 238.331 1.442 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336659448 173346715 /nfs/dbraw/zinc/34/67/15/173346715.db2.gz BXLKWVINXOTVKC-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]CCC[N@@H+](C[C@H](C)OC)C(C)C ZINC000336741689 173347388 /nfs/dbraw/zinc/34/73/88/173347388.db2.gz WABYANFHMUJVSA-NSHDSACASA-N 2 1 202.342 1.341 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000309653310 173347427 /nfs/dbraw/zinc/34/74/27/173347427.db2.gz UNWJFKCMXRYYPY-RYUDHWBXSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000309653310 173347428 /nfs/dbraw/zinc/34/74/28/173347428.db2.gz UNWJFKCMXRYYPY-RYUDHWBXSA-N 2 1 228.405 1.956 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000053033307 173370674 /nfs/dbraw/zinc/37/06/74/173370674.db2.gz GCKASEVKXGRYHN-AWEZNQCLSA-N 2 1 248.370 1.915 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000091996051 173379030 /nfs/dbraw/zinc/37/90/30/173379030.db2.gz SZMVWKCQMGMXTF-GFCCVEGCSA-N 2 1 249.358 1.527 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000091996051 173379031 /nfs/dbraw/zinc/37/90/31/173379031.db2.gz SZMVWKCQMGMXTF-GFCCVEGCSA-N 2 1 249.358 1.527 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000070798656 173382067 /nfs/dbraw/zinc/38/20/67/173382067.db2.gz WNPDVJYYWLDTHI-GFCCVEGCSA-N 2 1 220.316 1.434 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000070798656 173382069 /nfs/dbraw/zinc/38/20/69/173382069.db2.gz WNPDVJYYWLDTHI-GFCCVEGCSA-N 2 1 220.316 1.434 20 0 BDADMP COC1(C[NH2+]CC2=CC[N@@H+](C)CC2)CCCC1 ZINC000319647570 174001485 /nfs/dbraw/zinc/00/14/85/174001485.db2.gz PIOFDCJSAGUVLV-UHFFFAOYSA-N 2 1 238.375 1.797 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336672928 174195272 /nfs/dbraw/zinc/19/52/72/174195272.db2.gz GRIZIJMPAYCSHL-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1CCSC1 ZINC000336775872 174274997 /nfs/dbraw/zinc/27/49/97/174274997.db2.gz CXTOWLPUDGRXJK-GFCCVEGCSA-N 2 1 246.420 1.297 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000042370818 174287299 /nfs/dbraw/zinc/28/72/99/174287299.db2.gz ZBPKUTIGAPABQB-CYBMUJFWSA-N 2 1 228.380 1.590 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000336779257 174305029 /nfs/dbraw/zinc/30/50/29/174305029.db2.gz NSEGRBZPMMUATR-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP COCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989644 174306267 /nfs/dbraw/zinc/30/62/67/174306267.db2.gz LMVUKXXVHIGYPR-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP COCCOCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000336714481 174351431 /nfs/dbraw/zinc/35/14/31/174351431.db2.gz PBJWWTGFLWIUBY-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COCCOCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000336714481 174351433 /nfs/dbraw/zinc/35/14/33/174351433.db2.gz PBJWWTGFLWIUBY-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COCCOCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000336714481 174351434 /nfs/dbraw/zinc/35/14/34/174351434.db2.gz PBJWWTGFLWIUBY-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COCCOCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000336714481 174351437 /nfs/dbraw/zinc/35/14/37/174351437.db2.gz PBJWWTGFLWIUBY-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[C@@H]([NH3+])C2)c1C ZINC000234894055 174926771 /nfs/dbraw/zinc/92/67/71/174926771.db2.gz RRIPKSXMBPKJLA-PWSUYJOCSA-N 2 1 249.358 1.486 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527594 176034922 /nfs/dbraw/zinc/03/49/22/176034922.db2.gz WYORQDPAPJCERW-NWDGAFQWSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000037880230 176080692 /nfs/dbraw/zinc/08/06/92/176080692.db2.gz UMEQOBPSLIPMFH-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000336713152 176099951 /nfs/dbraw/zinc/09/99/51/176099951.db2.gz OFJQUJHLDSAAEO-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000336713152 176099954 /nfs/dbraw/zinc/09/99/54/176099954.db2.gz OFJQUJHLDSAAEO-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000336713152 176099957 /nfs/dbraw/zinc/09/99/57/176099957.db2.gz OFJQUJHLDSAAEO-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000336713152 176099959 /nfs/dbraw/zinc/09/99/59/176099959.db2.gz OFJQUJHLDSAAEO-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC000135189654 176168610 /nfs/dbraw/zinc/16/86/10/176168610.db2.gz NCWKGMQEBPJAIB-NEPJUHHUSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000253183881 176176136 /nfs/dbraw/zinc/17/61/36/176176136.db2.gz GUKHCDKCVBEHKE-DGCLKSJQSA-N 2 1 234.343 1.809 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCF ZINC000336685824 176268986 /nfs/dbraw/zinc/26/89/86/176268986.db2.gz LDERBPSCLZKDIB-MNOVXSKESA-N 2 1 202.317 1.666 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCF)CC[C@@H]1[NH3+] ZINC000336678099 176288417 /nfs/dbraw/zinc/28/84/17/176288417.db2.gz DWBVGVGAMCJXDS-MNOVXSKESA-N 2 1 202.317 1.795 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000044510336 176294310 /nfs/dbraw/zinc/29/43/10/176294310.db2.gz IMXDXAUKJSDLQD-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000336339502 176294869 /nfs/dbraw/zinc/29/48/69/176294869.db2.gz DMCIAUJLENBEFD-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC000336339502 176294871 /nfs/dbraw/zinc/29/48/71/176294871.db2.gz DMCIAUJLENBEFD-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCCO1 ZINC000336339502 176294872 /nfs/dbraw/zinc/29/48/72/176294872.db2.gz DMCIAUJLENBEFD-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051918902 176294942 /nfs/dbraw/zinc/29/49/42/176294942.db2.gz GWYJDDLMWLDDIN-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C1 ZINC000336684921 176295915 /nfs/dbraw/zinc/29/59/15/176295915.db2.gz FPJZHECYJJZMNU-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C1 ZINC000336684921 176295916 /nfs/dbraw/zinc/29/59/16/176295916.db2.gz FPJZHECYJJZMNU-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C1 ZINC000336684921 176295918 /nfs/dbraw/zinc/29/59/18/176295918.db2.gz FPJZHECYJJZMNU-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1 ZINC000336684921 176295919 /nfs/dbraw/zinc/29/59/19/176295919.db2.gz FPJZHECYJJZMNU-AAEUAGOBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000261529555 176300578 /nfs/dbraw/zinc/30/05/78/176300578.db2.gz TWBHURMPEJXOKN-MXWKQRLJSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000094339193 176304106 /nfs/dbraw/zinc/30/41/06/176304106.db2.gz DWOCUSGNTOAVIR-RISCZKNCSA-N 2 1 246.354 1.791 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@@]1(C)C[NH3+] ZINC000309396651 176308728 /nfs/dbraw/zinc/30/87/28/176308728.db2.gz GKJPTWCFCNLNPE-DGCLKSJQSA-N 2 1 219.332 1.498 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305855739 176342117 /nfs/dbraw/zinc/34/21/17/176342117.db2.gz BMZSLFVOERXFKK-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000300803209 176342539 /nfs/dbraw/zinc/34/25/39/176342539.db2.gz FJYSJATXLFENEK-VOAKCMCISA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000300803209 176342541 /nfs/dbraw/zinc/34/25/41/176342541.db2.gz FJYSJATXLFENEK-VOAKCMCISA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccncc2)CC[NH2+]1 ZINC000235379964 176367882 /nfs/dbraw/zinc/36/78/82/176367882.db2.gz YUYTXUUWKAKWLV-OCCSQVGLSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCOC2)CC[N@@H+]1C ZINC000336712929 176371665 /nfs/dbraw/zinc/37/16/65/176371665.db2.gz RZXTUEWKHMFVSG-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCOC2)CC[N@H+]1C ZINC000336712929 176371667 /nfs/dbraw/zinc/37/16/67/176371667.db2.gz RZXTUEWKHMFVSG-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCOC2)CC[NH+]1C ZINC000336712929 176371669 /nfs/dbraw/zinc/37/16/69/176371669.db2.gz RZXTUEWKHMFVSG-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCOC2)CC[NH+]1C ZINC000336712929 176371671 /nfs/dbraw/zinc/37/16/71/176371671.db2.gz RZXTUEWKHMFVSG-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CC2)CC[N@H+]1C ZINC000336741613 176422593 /nfs/dbraw/zinc/42/25/93/176422593.db2.gz NHHLJFKHTXMYPP-RAIGVLPGSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300415644 176689844 /nfs/dbraw/zinc/68/98/44/176689844.db2.gz XTXMTVKUYCCXRQ-RFQIPJPRSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000305141384 177000318 /nfs/dbraw/zinc/00/03/18/177000318.db2.gz QFOXEDJOIHQZHU-ZUWCUPBKSA-N 2 1 242.407 1.712 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)CO)C[C@H]1C ZINC000678043926 487637169 /nfs/dbraw/zinc/63/71/69/487637169.db2.gz JEIFNIDZYKKMMW-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)CO)C[C@H]1C ZINC000678043926 487637171 /nfs/dbraw/zinc/63/71/71/487637171.db2.gz JEIFNIDZYKKMMW-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000358294160 177233889 /nfs/dbraw/zinc/23/38/89/177233889.db2.gz JCEBHACSALCCAP-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000309750364 177234228 /nfs/dbraw/zinc/23/42/28/177234228.db2.gz GODXGLXDGAZTDP-VHSXEESVSA-N 2 1 232.318 1.962 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC[C@H]1[NH3+] ZINC000336537749 177263755 /nfs/dbraw/zinc/26/37/55/177263755.db2.gz IEBAYBHRRZGWPX-GXFFZTMASA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@@H](C)C1 ZINC000358254005 177356357 /nfs/dbraw/zinc/35/63/57/177356357.db2.gz PIQHBSDJIYFQPZ-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000358254005 177356358 /nfs/dbraw/zinc/35/63/58/177356358.db2.gz PIQHBSDJIYFQPZ-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1cccnc1 ZINC000122338551 177361900 /nfs/dbraw/zinc/36/19/00/177361900.db2.gz WQGMZIPGEJQBKQ-WCQYABFASA-N 2 1 219.332 1.293 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccccc1 ZINC000042896796 177364907 /nfs/dbraw/zinc/36/49/07/177364907.db2.gz DQPXIWALSRBRSJ-QWHCGFSZSA-N 2 1 234.343 1.877 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000328276570 487641945 /nfs/dbraw/zinc/64/19/45/487641945.db2.gz QWUHCPJUENBEAU-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000328276570 487641947 /nfs/dbraw/zinc/64/19/47/487641947.db2.gz QWUHCPJUENBEAU-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000328276570 487641948 /nfs/dbraw/zinc/64/19/48/487641948.db2.gz QWUHCPJUENBEAU-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000400389327 225143129 /nfs/dbraw/zinc/14/31/29/225143129.db2.gz MUHLFBQSLPFIDS-SDDRHHMPSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@H]1C[C@H]1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000488293856 225363012 /nfs/dbraw/zinc/36/30/12/225363012.db2.gz GGJOGGMLQUDZOY-STQMWFEESA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cncc(F)c1 ZINC000494603659 226266782 /nfs/dbraw/zinc/26/67/82/226266782.db2.gz NCASKKPZENBERQ-HZMBPMFUSA-N 2 1 249.333 1.793 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494930498 226271684 /nfs/dbraw/zinc/27/16/84/226271684.db2.gz LWXDWMAZKRVMAZ-ABCZVMIZSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000494930498 226271685 /nfs/dbraw/zinc/27/16/85/226271685.db2.gz LWXDWMAZKRVMAZ-ABCZVMIZSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494930512 226271715 /nfs/dbraw/zinc/27/17/15/226271715.db2.gz LWXDWMAZKRVMAZ-JZIMQPMSSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000494930512 226271716 /nfs/dbraw/zinc/27/17/16/226271716.db2.gz LWXDWMAZKRVMAZ-JZIMQPMSSA-N 2 1 245.370 1.978 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2cncn2C)CC[C@@H]1[NH3+] ZINC000314012845 487656654 /nfs/dbraw/zinc/65/66/54/487656654.db2.gz NVYKCWYPSUMGSX-YPMHNXCESA-N 2 1 236.363 1.022 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000510091832 229290440 /nfs/dbraw/zinc/29/04/40/229290440.db2.gz JHCWCILQXFMPTC-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@H]1C[C@@H]([NH+](C)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000510091832 229290444 /nfs/dbraw/zinc/29/04/44/229290444.db2.gz JHCWCILQXFMPTC-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@H]1C[C@@H]([NH+](C)CC[C@H]2CCC[N@H+]2C)C1 ZINC000510091832 229290446 /nfs/dbraw/zinc/29/04/46/229290446.db2.gz JHCWCILQXFMPTC-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cncc(C)c2)CC[C@@H]1[NH3+] ZINC000228622062 487696265 /nfs/dbraw/zinc/69/62/65/487696265.db2.gz TXLOLRRGNSJJPR-KGLIPLIRSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cncc(C)c2)CC[C@@H]1[NH3+] ZINC000228622062 487696270 /nfs/dbraw/zinc/69/62/70/487696270.db2.gz TXLOLRRGNSJJPR-KGLIPLIRSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cncs1 ZINC000902454006 584608604 /nfs/dbraw/zinc/60/86/04/584608604.db2.gz HCOAFTVTARWTJC-YUMQZZPRSA-N 2 1 211.334 1.402 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000086935226 487728164 /nfs/dbraw/zinc/72/81/64/487728164.db2.gz XYMOCFXISOBEHS-QJPTWQEYSA-N 2 1 228.405 1.812 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)[nH]n1 ZINC000671748172 487743284 /nfs/dbraw/zinc/74/32/84/487743284.db2.gz JZYJZLUANHRDHB-MCIONIFRSA-N 2 1 248.374 1.681 20 0 BDADMP CCc1cc(N[C@H]2CCC[NH2+]CC2)nc(C)[nH+]1 ZINC000226471243 487752831 /nfs/dbraw/zinc/75/28/31/487752831.db2.gz RIRCZIIGVMUVNZ-LBPRGKRZSA-N 2 1 234.347 1.901 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1[NH3+] ZINC000251577336 487771035 /nfs/dbraw/zinc/77/10/35/487771035.db2.gz CDUMVBXKIJGCDL-CHWSQXEVSA-N 2 1 226.364 1.472 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000300625787 487787603 /nfs/dbraw/zinc/78/76/03/487787603.db2.gz FQTGZIPVFXACNX-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000675934224 487791488 /nfs/dbraw/zinc/79/14/88/487791488.db2.gz FVPGMJWJEUHFPI-BETUJISGSA-N 2 1 240.391 1.611 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000300146546 487805050 /nfs/dbraw/zinc/80/50/50/487805050.db2.gz XSQFNTZVWFAPIN-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC[N@@H+](CCC[NH3+])C[C@H]1n1ccnc1 ZINC000414709016 487819333 /nfs/dbraw/zinc/81/93/33/487819333.db2.gz OKPLVPBWFGQAKQ-NWDGAFQWSA-N 2 1 222.336 1.115 20 0 BDADMP COc1ccc2c(c1)CC[N@H+](CCC[NH3+])CC2 ZINC000414752549 487821521 /nfs/dbraw/zinc/82/15/21/487821521.db2.gz UPMRKAYEALWDPK-UHFFFAOYSA-N 2 1 234.343 1.445 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000414919945 487828502 /nfs/dbraw/zinc/82/85/02/487828502.db2.gz WEFWREVRIFJSHN-MNOVXSKESA-N 2 1 222.336 1.088 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699132 487829623 /nfs/dbraw/zinc/82/96/23/487829623.db2.gz RGLYGXPXPRZNHJ-IJLUTSLNSA-N 2 1 219.332 1.812 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ncccc2C)CC[C@H]1[NH3+] ZINC000252779320 487832721 /nfs/dbraw/zinc/83/27/21/487832721.db2.gz PTVHWHHWDKVNTI-CHWSQXEVSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cn1 ZINC000415062495 487834897 /nfs/dbraw/zinc/83/48/97/487834897.db2.gz FKHYTLYKOXRRHN-AWEZNQCLSA-N 2 1 233.359 1.997 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000253077450 487846560 /nfs/dbraw/zinc/84/65/60/487846560.db2.gz SDNZJSOSCWOWPP-SDDRHHMPSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CCO)C2)CC[NH2+]1 ZINC000666638442 487849607 /nfs/dbraw/zinc/84/96/07/487849607.db2.gz OGUIOMYELKHVQV-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CCO)C1 ZINC000666638408 487849941 /nfs/dbraw/zinc/84/99/41/487849941.db2.gz LXZPYHRXDVZWRN-CHWSQXEVSA-N 2 1 228.380 1.454 20 0 BDADMP C(C[N@H+]1CC[C@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000089749468 487852489 /nfs/dbraw/zinc/85/24/89/487852489.db2.gz GDFVPWRMLFEQFA-KBPBESRZSA-N 2 1 237.391 1.156 20 0 BDADMP C(CN1CC[C@H]([NH+]2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000089749468 487852494 /nfs/dbraw/zinc/85/24/94/487852494.db2.gz GDFVPWRMLFEQFA-KBPBESRZSA-N 2 1 237.391 1.156 20 0 BDADMP c1ccc2c(c1)C[N@@H+](CC[C@H]1CC[NH2+]C1)CCO2 ZINC000089749483 487852578 /nfs/dbraw/zinc/85/25/78/487852578.db2.gz VRZGBQKIEKFLJZ-CYBMUJFWSA-N 2 1 246.354 1.881 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)C(C)(C)CO ZINC000682028564 487882848 /nfs/dbraw/zinc/88/28/48/487882848.db2.gz VEKYOMQOVCBUKI-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1nc2c(s1)CCC2 ZINC000666826302 487887128 /nfs/dbraw/zinc/88/71/28/487887128.db2.gz UYGGVQVDVIGNQS-MRVPVSSYSA-N 2 1 225.361 1.316 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC000666852105 487890787 /nfs/dbraw/zinc/89/07/87/487890787.db2.gz FSXCPANLUOIMOA-NEPJUHHUSA-N 2 1 244.342 1.694 20 0 BDADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc2ccccn12 ZINC000666879644 487895585 /nfs/dbraw/zinc/89/55/85/487895585.db2.gz QXEDDRHJMAGDHR-WCQYABFASA-N 2 1 244.342 1.422 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]1 ZINC000667048435 487933574 /nfs/dbraw/zinc/93/35/74/487933574.db2.gz WLHAJFHYIUSGBN-SYQHCUMBSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000567642482 323034455 /nfs/dbraw/zinc/03/44/55/323034455.db2.gz IFGYKDRFNMDHLQ-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH2+]CCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000562956238 323034999 /nfs/dbraw/zinc/03/49/99/323034999.db2.gz KRWXDGVYENDZEO-JHJVBQTASA-N 2 1 227.396 1.304 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000562956238 323035000 /nfs/dbraw/zinc/03/50/00/323035000.db2.gz KRWXDGVYENDZEO-JHJVBQTASA-N 3 1 227.396 1.304 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000562956238 323035001 /nfs/dbraw/zinc/03/50/01/323035001.db2.gz KRWXDGVYENDZEO-JHJVBQTASA-N 3 1 227.396 1.304 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000570274621 323054598 /nfs/dbraw/zinc/05/45/98/323054598.db2.gz UXQQIRAUNFEBKI-SDDRHHMPSA-N 2 1 228.405 1.812 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC(C)(C)CC1 ZINC000570286800 323055182 /nfs/dbraw/zinc/05/51/82/323055182.db2.gz ZUPMABKKWXHLMF-CYBMUJFWSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000570409594 323058709 /nfs/dbraw/zinc/05/87/09/323058709.db2.gz BYRITCWYTHYDHS-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)on1 ZINC000570529883 323062482 /nfs/dbraw/zinc/06/24/82/323062482.db2.gz ZKLRSROJCVWGTM-GXSJLCMTSA-N 2 1 223.320 1.597 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221675904 323090980 /nfs/dbraw/zinc/09/09/80/323090980.db2.gz VWVQUVDJXWYFRJ-NWDGAFQWSA-N 2 1 214.353 1.485 20 0 BDADMP CC[NH+](CC)CCSC[C@@H]1C[N@H+](C)CCO1 ZINC000563118302 323093828 /nfs/dbraw/zinc/09/38/28/323093828.db2.gz UCFSJXHTNRLGRD-LBPRGKRZSA-N 2 1 246.420 1.392 20 0 BDADMP CC[NH+](CC)CCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000563118302 323093829 /nfs/dbraw/zinc/09/38/29/323093829.db2.gz UCFSJXHTNRLGRD-LBPRGKRZSA-N 2 1 246.420 1.392 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152488 323095831 /nfs/dbraw/zinc/09/58/31/323095831.db2.gz KCEYVXYXLMFCFZ-HABKJSAYSA-N 3 1 237.391 1.201 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C1(CC(=O)OC)CC1 ZINC000563221279 323104790 /nfs/dbraw/zinc/10/47/90/323104790.db2.gz JKODKGKHQKZLGC-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CCO)c2ccco2)C1 ZINC000563427358 323126150 /nfs/dbraw/zinc/12/61/50/323126150.db2.gz YBMWEWRBXBFKLX-WOPDTQHZSA-N 2 1 238.331 1.563 20 0 BDADMP C[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000394832473 323127044 /nfs/dbraw/zinc/12/70/44/323127044.db2.gz OWMHBMYXQLSWLO-RFQIPJPRSA-N 2 1 222.376 1.964 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2cncn2C)CC[N@H+]1C ZINC000401866384 323128318 /nfs/dbraw/zinc/12/83/18/323128318.db2.gz HSWOCCATVUJBJR-RYUDHWBXSA-N 3 1 236.363 1.035 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2cncn2C)CCN1C ZINC000401866384 323128319 /nfs/dbraw/zinc/12/83/19/323128319.db2.gz HSWOCCATVUJBJR-RYUDHWBXSA-N 3 1 236.363 1.035 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000563616188 323131616 /nfs/dbraw/zinc/13/16/16/323131616.db2.gz NYGSYTIBPQIJKI-UPJWGTAASA-N 2 1 238.375 1.533 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000571157214 323136912 /nfs/dbraw/zinc/13/69/12/323136912.db2.gz RZUMCJRALUQBNR-YNEHKIRRSA-N 3 1 225.380 1.236 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H](C)C1 ZINC000571222327 323138462 /nfs/dbraw/zinc/13/84/62/323138462.db2.gz JXEWARLQVGCITQ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H](C)C1 ZINC000571222327 323138463 /nfs/dbraw/zinc/13/84/63/323138463.db2.gz JXEWARLQVGCITQ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000571222327 323138464 /nfs/dbraw/zinc/13/84/64/323138464.db2.gz JXEWARLQVGCITQ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H](C)C1 ZINC000571222327 323138465 /nfs/dbraw/zinc/13/84/65/323138465.db2.gz JXEWARLQVGCITQ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC[NH2+]C(C)C)[C@H](C)C1 ZINC000571431252 323144761 /nfs/dbraw/zinc/14/47/61/323144761.db2.gz NEVUDSIWIMZHNX-KGLIPLIRSA-N 2 1 241.423 1.694 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH2+]C(C)C)[C@H](C)C1 ZINC000571431252 323144762 /nfs/dbraw/zinc/14/47/62/323144762.db2.gz NEVUDSIWIMZHNX-KGLIPLIRSA-N 3 1 241.423 1.694 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH2+]C(C)C)[C@H](C)C1 ZINC000571431252 323144763 /nfs/dbraw/zinc/14/47/63/323144763.db2.gz NEVUDSIWIMZHNX-KGLIPLIRSA-N 3 1 241.423 1.694 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571532179 323147273 /nfs/dbraw/zinc/14/72/73/323147273.db2.gz WDUILWMNUVJIQN-LBPRGKRZSA-N 3 1 239.407 1.306 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000304331522 323164033 /nfs/dbraw/zinc/16/40/33/323164033.db2.gz VGESERPXXUIVPQ-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000304331522 323164034 /nfs/dbraw/zinc/16/40/34/323164034.db2.gz VGESERPXXUIVPQ-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000304331522 323164035 /nfs/dbraw/zinc/16/40/35/323164035.db2.gz VGESERPXXUIVPQ-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000308571081 323175868 /nfs/dbraw/zinc/17/58/68/323175868.db2.gz BYHMDEJZMLUKQH-JTQLQIEISA-N 2 1 200.301 1.420 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000308571081 323175869 /nfs/dbraw/zinc/17/58/69/323175869.db2.gz BYHMDEJZMLUKQH-JTQLQIEISA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530211634 323212079 /nfs/dbraw/zinc/21/20/79/323212079.db2.gz NDERHZJFPDWJCU-UPJWGTAASA-N 2 1 226.364 1.391 20 0 BDADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000532531147 323274135 /nfs/dbraw/zinc/27/41/35/323274135.db2.gz SBQRJQNMRXEMOI-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000532531147 323274136 /nfs/dbraw/zinc/27/41/36/323274136.db2.gz SBQRJQNMRXEMOI-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000532531147 323274138 /nfs/dbraw/zinc/27/41/38/323274138.db2.gz SBQRJQNMRXEMOI-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000396005616 323281735 /nfs/dbraw/zinc/28/17/35/323281735.db2.gz ZDOQZXCPMPKRSF-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000221797798 323285075 /nfs/dbraw/zinc/28/50/75/323285075.db2.gz DOMINLNBDMUOLY-GXTWGEPZSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000162869843 324129128 /nfs/dbraw/zinc/12/91/28/324129128.db2.gz OCLBGBGSVQXNRM-RYUDHWBXSA-N 2 1 228.380 1.731 20 0 BDADMP CCOC1CC(CC[NH2+]C2CC[NH+](C)CC2)C1 ZINC000189261800 324192990 /nfs/dbraw/zinc/19/29/90/324192990.db2.gz PNKJXWHUSXJESV-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000328277920 324389454 /nfs/dbraw/zinc/38/94/54/324389454.db2.gz RFFNKVPHQKLESH-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP COC[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653558670 487964529 /nfs/dbraw/zinc/96/45/29/487964529.db2.gz NTSGDZMOMRWFON-LBPRGKRZSA-N 2 1 237.347 1.321 20 0 BDADMP COC[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653558670 487964532 /nfs/dbraw/zinc/96/45/32/487964532.db2.gz NTSGDZMOMRWFON-LBPRGKRZSA-N 2 1 237.347 1.321 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130256182 325031228 /nfs/dbraw/zinc/03/12/28/325031228.db2.gz DDNDQPWXNGZRSK-GHMZBOCLSA-N 2 1 200.326 1.095 20 0 BDADMP CC[C@H](C)[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309448614 487967207 /nfs/dbraw/zinc/96/72/07/487967207.db2.gz PNZVWCJPLVHTMC-AAEUAGOBSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309448614 487967213 /nfs/dbraw/zinc/96/72/13/487967213.db2.gz PNZVWCJPLVHTMC-AAEUAGOBSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309448614 487967215 /nfs/dbraw/zinc/96/72/15/487967215.db2.gz PNZVWCJPLVHTMC-AAEUAGOBSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309448614 487967216 /nfs/dbraw/zinc/96/72/16/487967216.db2.gz PNZVWCJPLVHTMC-AAEUAGOBSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000133403672 325293042 /nfs/dbraw/zinc/29/30/42/325293042.db2.gz USUKVTKOCDWPBC-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)co1 ZINC000310384096 487969388 /nfs/dbraw/zinc/96/93/88/487969388.db2.gz DDLKCJAMMOVGCI-CYZMBNFOSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)co1 ZINC000310384096 487969392 /nfs/dbraw/zinc/96/93/92/487969392.db2.gz DDLKCJAMMOVGCI-CYZMBNFOSA-N 2 1 235.331 1.542 20 0 BDADMP FC1(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000566229861 326018292 /nfs/dbraw/zinc/01/82/92/326018292.db2.gz PSTFNOIJHVZVNW-NEPJUHHUSA-N 2 1 226.339 1.810 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566483297 326056352 /nfs/dbraw/zinc/05/63/52/326056352.db2.gz UGURLOVPAYJQMJ-BFHYXJOUSA-N 2 1 241.423 1.966 20 0 BDADMP Cc1cccc(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000567760545 326256000 /nfs/dbraw/zinc/25/60/00/326256000.db2.gz WPDNEBSASJQPNT-AWEZNQCLSA-N 2 1 247.386 1.816 20 0 BDADMP Cc1cccc(CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000567760545 326256001 /nfs/dbraw/zinc/25/60/01/326256001.db2.gz WPDNEBSASJQPNT-AWEZNQCLSA-N 2 1 247.386 1.816 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000313894572 326285319 /nfs/dbraw/zinc/28/53/19/326285319.db2.gz PZYQNQNULWFHAJ-UBHSHLNASA-N 2 1 249.358 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000313894572 326285321 /nfs/dbraw/zinc/28/53/21/326285321.db2.gz PZYQNQNULWFHAJ-UBHSHLNASA-N 2 1 249.358 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000313894570 326285394 /nfs/dbraw/zinc/28/53/94/326285394.db2.gz PZYQNQNULWFHAJ-FPMFFAJLSA-N 2 1 249.358 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000313894570 326285395 /nfs/dbraw/zinc/28/53/95/326285395.db2.gz PZYQNQNULWFHAJ-FPMFFAJLSA-N 2 1 249.358 1.055 20 0 BDADMP COC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158689092 326337162 /nfs/dbraw/zinc/33/71/62/326337162.db2.gz PBUDYIKSXBVXIW-MJBXVCDLSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@@H]([NH3+])c1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000573204565 326435089 /nfs/dbraw/zinc/43/50/89/326435089.db2.gz AQFKFHITWSIWMS-SECBINFHSA-N 2 1 221.304 1.206 20 0 BDADMP C[N@@H+]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000134268525 487976936 /nfs/dbraw/zinc/97/69/36/487976936.db2.gz CLGYQTWGGYDVBV-CYBMUJFWSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000134268525 487976941 /nfs/dbraw/zinc/97/69/41/487976941.db2.gz CLGYQTWGGYDVBV-CYBMUJFWSA-N 2 1 237.391 1.297 20 0 BDADMP OCC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000220371180 487980311 /nfs/dbraw/zinc/98/03/11/487980311.db2.gz MNAZKHIBMDCHRI-GFCCVEGCSA-N 2 1 226.364 1.080 20 0 BDADMP CC[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000682074993 487990417 /nfs/dbraw/zinc/99/04/17/487990417.db2.gz ZLDAVZOBNKKBPF-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)nc1 ZINC000400841195 487992266 /nfs/dbraw/zinc/99/22/66/487992266.db2.gz XDXYWRSQGLGGOZ-LBPRGKRZSA-N 2 1 219.332 1.622 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000228477325 488009532 /nfs/dbraw/zinc/00/95/32/488009532.db2.gz OPEVDMBEINCADF-YNEHKIRRSA-N 2 1 208.349 1.846 20 0 BDADMP CN(C)[C@H](C[NH2+]CCC[NH3+])c1ccccc1 ZINC000135260636 488024568 /nfs/dbraw/zinc/02/45/68/488024568.db2.gz FDEJWJRMFXJZSN-CYBMUJFWSA-N 2 1 221.348 1.228 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135416047 488034521 /nfs/dbraw/zinc/03/45/21/488034521.db2.gz XCGTXMZQEZCTMS-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1nc([C@H](C)[NH2+]CCC[NH3+])c(C)s1 ZINC000037713532 488039075 /nfs/dbraw/zinc/03/90/75/488039075.db2.gz ZNPISHHXUXUHMV-ZETCQYMHSA-N 2 1 213.350 1.759 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOC)[C@@H](C)C1 ZINC000222026238 488047885 /nfs/dbraw/zinc/04/78/85/488047885.db2.gz DPRWJBNIKFFRSV-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@H](C)C[NH2+]C ZINC000663509964 488055808 /nfs/dbraw/zinc/05/58/08/488055808.db2.gz BLULXPBUERDGNG-MNOVXSKESA-N 2 1 202.342 1.389 20 0 BDADMP CCn1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000656200615 488066799 /nfs/dbraw/zinc/06/67/99/488066799.db2.gz SEWKVMCTLLPDRD-GHMZBOCLSA-N 2 1 222.336 1.263 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)n1C ZINC000667648912 488071960 /nfs/dbraw/zinc/07/19/60/488071960.db2.gz DFVQVNJGQNBJCU-PWSUYJOCSA-N 2 1 237.347 1.464 20 0 BDADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000168662185 487537454 /nfs/dbraw/zinc/53/74/54/487537454.db2.gz WABWOSKMIVKIBV-LLVKDONJSA-N 2 1 236.363 1.072 20 0 BDADMP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000086729725 487539284 /nfs/dbraw/zinc/53/92/84/487539284.db2.gz LPRMNTXLTRDVKL-UONOGXRCSA-N 2 1 216.328 1.495 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CO)C1 ZINC000121127135 490077090 /nfs/dbraw/zinc/07/70/90/490077090.db2.gz VRRWUIXXWRQVJO-OLZOCXBDSA-N 2 1 228.380 1.279 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121127135 490077095 /nfs/dbraw/zinc/07/70/95/490077095.db2.gz VRRWUIXXWRQVJO-OLZOCXBDSA-N 2 1 228.380 1.279 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121127135 490077099 /nfs/dbraw/zinc/07/70/99/490077099.db2.gz VRRWUIXXWRQVJO-OLZOCXBDSA-N 2 1 228.380 1.279 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000168876217 487549181 /nfs/dbraw/zinc/54/91/81/487549181.db2.gz LZTDHYPPNCAICU-QWRGUYRKSA-N 2 1 236.363 1.152 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCCOC1 ZINC000674301350 487552731 /nfs/dbraw/zinc/55/27/31/487552731.db2.gz ATRFVRKKGGZQGT-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCOC1 ZINC000674301350 487552736 /nfs/dbraw/zinc/55/27/36/487552736.db2.gz ATRFVRKKGGZQGT-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCOC1 ZINC000674301350 487552741 /nfs/dbraw/zinc/55/27/41/487552741.db2.gz ATRFVRKKGGZQGT-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCOC1 ZINC000674302559 487554075 /nfs/dbraw/zinc/55/40/75/487554075.db2.gz ODKFQALZJDVPKP-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCOC1 ZINC000674302559 487554082 /nfs/dbraw/zinc/55/40/82/487554082.db2.gz ODKFQALZJDVPKP-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000674302559 487554088 /nfs/dbraw/zinc/55/40/88/487554088.db2.gz ODKFQALZJDVPKP-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000674302559 487554094 /nfs/dbraw/zinc/55/40/94/487554094.db2.gz ODKFQALZJDVPKP-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCOC2)C1 ZINC000674302276 487554165 /nfs/dbraw/zinc/55/41/65/487554165.db2.gz KZNXBUTVAFWUQW-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302276 487554174 /nfs/dbraw/zinc/55/41/74/487554174.db2.gz KZNXBUTVAFWUQW-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302276 487554182 /nfs/dbraw/zinc/55/41/82/487554182.db2.gz KZNXBUTVAFWUQW-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785261 487531601 /nfs/dbraw/zinc/53/16/01/487531601.db2.gz OZEINANGRPAZCA-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559774714 487491106 /nfs/dbraw/zinc/49/11/06/487491106.db2.gz XQMVGLFANCUMMN-AEGPPILISA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559774714 487491115 /nfs/dbraw/zinc/49/11/15/487491115.db2.gz XQMVGLFANCUMMN-AEGPPILISA-N 2 1 248.370 1.792 20 0 BDADMP CC(C)(CC[N@@H+]1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000406062273 487498634 /nfs/dbraw/zinc/49/86/34/487498634.db2.gz NCRYCLWXAINLAW-GFCCVEGCSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)(CC[N@H+]1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000406062273 487498638 /nfs/dbraw/zinc/49/86/38/487498638.db2.gz NCRYCLWXAINLAW-GFCCVEGCSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)(CC[N@H+]1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000406005491 487495586 /nfs/dbraw/zinc/49/55/86/487495586.db2.gz RRZJJQSCVVQGKY-ZDUSSCGKSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000381054895 487497433 /nfs/dbraw/zinc/49/74/33/487497433.db2.gz IZPJHDCDAMUMHC-VXGBXAGGSA-N 2 1 230.396 1.712 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(C)(C)C2CC2)CCO1 ZINC000406078701 487500359 /nfs/dbraw/zinc/50/03/59/487500359.db2.gz WCEZRFIQTKBOFE-WCQYABFASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CCO1 ZINC000406078701 487500362 /nfs/dbraw/zinc/50/03/62/487500362.db2.gz WCEZRFIQTKBOFE-WCQYABFASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@H](C)C1 ZINC000086435662 487507111 /nfs/dbraw/zinc/50/71/11/487507111.db2.gz ACQOJWCKLZFYNT-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000168535780 487517034 /nfs/dbraw/zinc/51/70/34/487517034.db2.gz YZZWMIYXALLCCU-ZDUSSCGKSA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662273651 487521844 /nfs/dbraw/zinc/52/18/44/487521844.db2.gz XHSDJOFSGRZNER-VWYCJHECSA-N 2 1 248.317 1.470 20 0 BDADMP CC[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CC[C@@H]1[NH3+] ZINC000662273651 487521846 /nfs/dbraw/zinc/52/18/46/487521846.db2.gz XHSDJOFSGRZNER-VWYCJHECSA-N 2 1 248.317 1.470 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000167193832 488144202 /nfs/dbraw/zinc/14/42/02/488144202.db2.gz YKIDYQWIDLQTBN-NWDGAFQWSA-N 2 1 243.395 1.206 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C ZINC000379894180 488154883 /nfs/dbraw/zinc/15/48/83/488154883.db2.gz BLHCZAIPLLPPFD-NEPJUHHUSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C ZINC000379894180 488154887 /nfs/dbraw/zinc/15/48/87/488154887.db2.gz BLHCZAIPLLPPFD-NEPJUHHUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000682074891 487897961 /nfs/dbraw/zinc/89/79/61/487897961.db2.gz ZLDAVZOBNKKBPF-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOCC(F)F)C2 ZINC000652352322 487930132 /nfs/dbraw/zinc/93/01/32/487930132.db2.gz CNUUURQRFVJOFH-JQWIXIFHSA-N 2 1 248.317 1.329 20 0 BDADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000657877415 488158824 /nfs/dbraw/zinc/15/88/24/488158824.db2.gz RANGWUUOWNDDBW-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000678079368 488191949 /nfs/dbraw/zinc/19/19/49/488191949.db2.gz VUFSYBMGWXZILN-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678079368 488191952 /nfs/dbraw/zinc/19/19/52/488191952.db2.gz VUFSYBMGWXZILN-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678079368 488191955 /nfs/dbraw/zinc/19/19/55/488191955.db2.gz VUFSYBMGWXZILN-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@H](C)C1 ZINC000669544120 488196902 /nfs/dbraw/zinc/19/69/02/488196902.db2.gz SSYHBVBOVDAHDY-AGIUHOORSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+](Cc1cccs1)C[C@@H]1CNCCO1 ZINC000043802216 488208946 /nfs/dbraw/zinc/20/89/46/488208946.db2.gz RVWBGMIGUGVPJM-JTQLQIEISA-N 2 1 226.345 1.168 20 0 BDADMP c1nc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc2[nH]1 ZINC000678342782 488243313 /nfs/dbraw/zinc/24/33/13/488243313.db2.gz HUNSNBZNPQRKSE-VXGBXAGGSA-N 2 1 242.326 1.214 20 0 BDADMP c1nc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2[nH]1 ZINC000678342782 488243315 /nfs/dbraw/zinc/24/33/15/488243315.db2.gz HUNSNBZNPQRKSE-VXGBXAGGSA-N 2 1 242.326 1.214 20 0 BDADMP c1cc2c(cccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000678342884 488243523 /nfs/dbraw/zinc/24/35/23/488243523.db2.gz FCCWVLMEDZOPSR-BETUJISGSA-N 2 1 241.338 1.819 20 0 BDADMP c1ccc2c(c1)CC[N@@H+](C[C@@H]1CNCCO1)C2 ZINC000040412595 488260919 /nfs/dbraw/zinc/26/09/19/488260919.db2.gz VGDWCUNVWUZCNH-AWEZNQCLSA-N 2 1 232.327 1.033 20 0 BDADMP c1ccc2c(c1)CC[N@H+](C[C@@H]1CNCCO1)C2 ZINC000040412595 488260920 /nfs/dbraw/zinc/26/09/20/488260920.db2.gz VGDWCUNVWUZCNH-AWEZNQCLSA-N 2 1 232.327 1.033 20 0 BDADMP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678604995 488270847 /nfs/dbraw/zinc/27/08/47/488270847.db2.gz BIQNWGTWGALADC-RDBSUJKOSA-N 2 1 238.375 1.364 20 0 BDADMP C1=CC[NH+](CCOCC[N@@H+]2CC=CCC2)CC1 ZINC000679323719 488337389 /nfs/dbraw/zinc/33/73/89/488337389.db2.gz UZOWPTFCJLUCIF-UHFFFAOYSA-N 2 1 236.359 1.527 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000679333906 488341296 /nfs/dbraw/zinc/34/12/96/488341296.db2.gz VVEDPXBLLYMCKN-SNVBAGLBSA-N 2 1 247.346 1.964 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000517731009 490144531 /nfs/dbraw/zinc/14/45/31/490144531.db2.gz ZXDUTONVOWBXME-KGLIPLIRSA-N 2 1 234.343 1.973 20 0 BDADMP Cc1cc(C)cc(OCC[N@@H+](C)CCC[NH3+])c1 ZINC000123325258 490219486 /nfs/dbraw/zinc/21/94/86/490219486.db2.gz GYPOONRZELJSIV-UHFFFAOYSA-N 2 1 236.359 1.963 20 0 BDADMP C[NH+](C)C1(C[NH2+]C2CCOCC2)CCCC1 ZINC000097602870 490242086 /nfs/dbraw/zinc/24/20/86/490242086.db2.gz JHOGYKFGSIZTHJ-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000071200808 490257824 /nfs/dbraw/zinc/25/78/24/490257824.db2.gz UBMABSJWOXLOBW-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000071200808 490257819 /nfs/dbraw/zinc/25/78/19/490257819.db2.gz UBMABSJWOXLOBW-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CNCCO2)cc1 ZINC000125385768 490430522 /nfs/dbraw/zinc/43/05/22/490430522.db2.gz VUKVCDXGOOLFHU-HIFRSBDPSA-N 2 1 248.370 1.976 20 0 BDADMP Cc1ccc([C@@H](C)N(C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000125385768 490430527 /nfs/dbraw/zinc/43/05/27/490430527.db2.gz VUKVCDXGOOLFHU-HIFRSBDPSA-N 2 1 248.370 1.976 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CO)[C@H](C)C1 ZINC000131072116 490484905 /nfs/dbraw/zinc/48/49/05/490484905.db2.gz IWTSZTYEOWJOQJ-NEPJUHHUSA-N 2 1 228.380 1.325 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000387967038 491058593 /nfs/dbraw/zinc/05/85/93/491058593.db2.gz FEGQKIBHYAJQLM-QNWHQSFQSA-N 2 1 210.365 1.962 20 0 BDADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000090320357 491124429 /nfs/dbraw/zinc/12/44/29/491124429.db2.gz INUNNWDNTDIXCX-STQMWFEESA-N 2 1 234.318 1.785 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCCCO ZINC000309623716 491152976 /nfs/dbraw/zinc/15/29/76/491152976.db2.gz FUTBLYJIICXSCJ-OLZOCXBDSA-N 2 1 230.396 1.857 20 0 BDADMP CC[C@@]1([NH2+]CCn2cc[nH+]c2C)CCOC1 ZINC000309705269 491155357 /nfs/dbraw/zinc/15/53/57/491155357.db2.gz OEHVRMZOIQEHRL-GFCCVEGCSA-N 2 1 223.320 1.350 20 0 BDADMP C[C@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400448396 533839692 /nfs/dbraw/zinc/83/96/92/533839692.db2.gz QHDJEVKKEQDHHN-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@H]1CCC[NH2+]1 ZINC000400496202 533905317 /nfs/dbraw/zinc/90/53/17/533905317.db2.gz DQQZMEZNALCFDC-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000261541908 535611087 /nfs/dbraw/zinc/61/10/87/535611087.db2.gz MLEGEEHVTGHICQ-WCQYABFASA-N 2 1 236.363 1.462 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400597665 534033441 /nfs/dbraw/zinc/03/34/41/534033441.db2.gz DBCDWXPLOVPMTO-UPJWGTAASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400597659 534035187 /nfs/dbraw/zinc/03/51/87/534035187.db2.gz DBCDWXPLOVPMTO-AGIUHOORSA-N 2 1 226.364 1.330 20 0 BDADMP CCSCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252917325 535686228 /nfs/dbraw/zinc/68/62/28/535686228.db2.gz XCSLBUHCWHBTAI-RYUDHWBXSA-N 2 1 244.404 1.192 20 0 BDADMP CCSCC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252917325 535686232 /nfs/dbraw/zinc/68/62/32/535686232.db2.gz XCSLBUHCWHBTAI-RYUDHWBXSA-N 2 1 244.404 1.192 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715844 536091083 /nfs/dbraw/zinc/09/10/83/536091083.db2.gz WVMXBZHBRBYCNX-JHJVBQTASA-N 2 1 228.380 1.325 20 0 BDADMP CN(C)C(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000849023069 582829916 /nfs/dbraw/zinc/82/99/16/582829916.db2.gz IYXYQEGHUYQTMK-NSHDSACASA-N 2 1 224.352 1.089 20 0 BDADMP CC(C)Cn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000347025457 534900155 /nfs/dbraw/zinc/90/01/55/534900155.db2.gz SGKLSHVVYNYETH-GFCCVEGCSA-N 2 1 236.363 1.320 20 0 BDADMP CC(C)Cn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000347025457 534900164 /nfs/dbraw/zinc/90/01/64/534900164.db2.gz SGKLSHVVYNYETH-GFCCVEGCSA-N 2 1 236.363 1.320 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000309026220 528832085 /nfs/dbraw/zinc/83/20/85/528832085.db2.gz YCASTPRJOGUEPJ-NEPJUHHUSA-N 3 1 215.385 1.432 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000309026220 528832086 /nfs/dbraw/zinc/83/20/86/528832086.db2.gz YCASTPRJOGUEPJ-NEPJUHHUSA-N 3 1 215.385 1.432 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000471782155 528965491 /nfs/dbraw/zinc/96/54/91/528965491.db2.gz RHZHTGSMXWIDCQ-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP CCSCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308895186 529180003 /nfs/dbraw/zinc/18/00/03/529180003.db2.gz ZNKHDAWLELOVCC-TXEJJXNPSA-N 2 1 228.405 1.671 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000400395983 529368289 /nfs/dbraw/zinc/36/82/89/529368289.db2.gz OODYDHCQGHOXKG-HBNTYKKESA-N 2 1 200.326 1.142 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000163979107 535090825 /nfs/dbraw/zinc/09/08/25/535090825.db2.gz SNBNQAYFWZODRZ-QWHCGFSZSA-N 2 1 238.375 1.362 20 0 BDADMP CC[NH+](CC(O)C[N@@H+](CC)C1CC1)C1CC1 ZINC000181781324 535388592 /nfs/dbraw/zinc/38/85/92/535388592.db2.gz PLRAOJVDVZYNJX-UHFFFAOYSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+](CC(O)C[N@H+](CC)C1CC1)C1CC1 ZINC000181781324 535388596 /nfs/dbraw/zinc/38/85/96/535388596.db2.gz PLRAOJVDVZYNJX-UHFFFAOYSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+](CC)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261640341 535496411 /nfs/dbraw/zinc/49/64/11/535496411.db2.gz AEEYSXDRWRGKNB-UHFFFAOYSA-N 3 1 241.423 1.778 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250574234 535516267 /nfs/dbraw/zinc/51/62/67/535516267.db2.gz WYRRSQJASKEJAZ-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP CC[NH+](CC)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249794516 535543196 /nfs/dbraw/zinc/54/31/96/535543196.db2.gz ADOQIVYVOHPQBD-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000261541908 535611084 /nfs/dbraw/zinc/61/10/84/535611084.db2.gz MLEGEEHVTGHICQ-WCQYABFASA-N 2 1 236.363 1.462 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223187782 535690593 /nfs/dbraw/zinc/69/05/93/535690593.db2.gz QYHZUSHVHKXLRS-SDDRHHMPSA-N 2 1 214.353 1.484 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223187782 535690603 /nfs/dbraw/zinc/69/06/03/535690603.db2.gz QYHZUSHVHKXLRS-SDDRHHMPSA-N 2 1 214.353 1.484 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@H](C)C1 ZINC000167485764 535768597 /nfs/dbraw/zinc/76/85/97/535768597.db2.gz LGAAQKHEHAOQOK-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250343903 535831447 /nfs/dbraw/zinc/83/14/47/535831447.db2.gz DZQUXGUXGJWKFP-KGLIPLIRSA-N 3 1 239.407 1.545 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000179637552 535965192 /nfs/dbraw/zinc/96/51/92/535965192.db2.gz OSWYXJXRHIHLDP-GFCCVEGCSA-N 2 1 224.348 1.217 20 0 BDADMP CCc1[nH+]ccn1[C@@H]1CCCN(CC[NH3+])C1 ZINC000261582454 536174385 /nfs/dbraw/zinc/17/43/85/536174385.db2.gz OIKDJQONKYVWMO-LLVKDONJSA-N 2 1 222.336 1.041 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000226326925 536344802 /nfs/dbraw/zinc/34/48/02/536344802.db2.gz VKCCROOFUYKKBO-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348148512 536370523 /nfs/dbraw/zinc/37/05/23/536370523.db2.gz IOGQOOWDSSKADR-MJBXVCDLSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CC2)C1 ZINC000335703605 536472785 /nfs/dbraw/zinc/47/27/85/536472785.db2.gz YCRZKPHNBSZFKO-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CC2CC2)C1 ZINC000335703605 536472788 /nfs/dbraw/zinc/47/27/88/536472788.db2.gz YCRZKPHNBSZFKO-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CC2CC2)C1 ZINC000335703605 536472789 /nfs/dbraw/zinc/47/27/89/536472789.db2.gz YCRZKPHNBSZFKO-QWHCGFSZSA-N 2 1 208.349 1.813 20 0 BDADMP CO[C@H]1CC[N@H+](CCCC(C)C)[C@H](C[NH3+])C1 ZINC000252767381 536746020 /nfs/dbraw/zinc/74/60/20/536746020.db2.gz IBYFJYDFWCOTIU-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CO[C@H]1CC[N@@H+](CCCC(C)C)[C@H](C[NH3+])C1 ZINC000252767381 536746027 /nfs/dbraw/zinc/74/60/27/536746027.db2.gz IBYFJYDFWCOTIU-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000335644284 536949103 /nfs/dbraw/zinc/94/91/03/536949103.db2.gz RRURDIVHGDGFRY-QWHCGFSZSA-N 2 1 246.354 1.504 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245949251 537960419 /nfs/dbraw/zinc/96/04/19/537960419.db2.gz KWZYMDKSFGCKAN-ZYHUDNBSSA-N 2 1 236.363 1.711 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CSC2)C1 ZINC000390001022 566381337 /nfs/dbraw/zinc/38/13/37/566381337.db2.gz SVBBJVJHHZIFEZ-LLVKDONJSA-N 2 1 228.405 1.812 20 0 BDADMP CC(C)[N@H+]1CCCC[C@H]1CON=C(N)CCO ZINC000853687138 588756244 /nfs/dbraw/zinc/75/62/44/588756244.db2.gz LFGOFVMNDOWJDD-NSHDSACASA-N 2 1 243.351 1.130 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229195 588780817 /nfs/dbraw/zinc/78/08/17/588780817.db2.gz HWPZYAMKABKDCO-ZDCRXTMVSA-N 2 1 246.301 1.270 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCNc2cc[nH+]cc2CO)C1 ZINC000891838235 582727956 /nfs/dbraw/zinc/72/79/56/582727956.db2.gz PXJYFNJFKPRDOC-GFCCVEGCSA-N 2 1 249.358 1.140 20 0 BDADMP C[C@@H]1COCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892077440 582786681 /nfs/dbraw/zinc/78/66/81/582786681.db2.gz SDWLBVGILHRANB-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)CCNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004195 582821891 /nfs/dbraw/zinc/82/18/91/582821891.db2.gz GVDPWINLZOIHHJ-GFCCVEGCSA-N 2 1 240.395 1.488 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000851985996 582989422 /nfs/dbraw/zinc/98/94/22/582989422.db2.gz YHEGXZMGQVULRG-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cnc1F ZINC000893305340 583095249 /nfs/dbraw/zinc/09/52/49/583095249.db2.gz UWZSRZOYRFAWFK-UHFFFAOYSA-N 2 1 249.333 1.881 20 0 BDADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000857084668 588886462 /nfs/dbraw/zinc/88/64/62/588886462.db2.gz XDXNZCJPNCAFOE-UHFFFAOYSA-N 2 1 245.370 1.966 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ncc[nH]2)CC1 ZINC000893570392 583165291 /nfs/dbraw/zinc/16/52/91/583165291.db2.gz DQXWCZOPUSVQMY-ZDUSSCGKSA-N 2 1 248.374 1.888 20 0 BDADMP C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893669600 583192419 /nfs/dbraw/zinc/19/24/19/583192419.db2.gz QTDNPNUPYZWYRM-QWHCGFSZSA-N 2 1 239.407 1.353 20 0 BDADMP Fc1cccc(/C=C\C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000894097800 583302578 /nfs/dbraw/zinc/30/25/78/583302578.db2.gz QDYASIOGKZJCSS-UKQVFJHPSA-N 2 1 246.329 1.990 20 0 BDADMP Fc1cccc(/C=C\C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000894097800 583302580 /nfs/dbraw/zinc/30/25/80/583302580.db2.gz QDYASIOGKZJCSS-UKQVFJHPSA-N 2 1 246.329 1.990 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)ccnc2N)C1 ZINC000894190505 583334599 /nfs/dbraw/zinc/33/45/99/583334599.db2.gz QWOSNUCNSXQEFX-LBPRGKRZSA-N 2 1 248.374 1.404 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)ccnc2N)C1 ZINC000894190505 583334603 /nfs/dbraw/zinc/33/46/03/583334603.db2.gz QWOSNUCNSXQEFX-LBPRGKRZSA-N 2 1 248.374 1.404 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C[C@H]1C ZINC000414982961 583442104 /nfs/dbraw/zinc/44/21/04/583442104.db2.gz ZOQGQPBEQUMPGM-MQYQWHSLSA-N 2 1 239.407 1.304 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000894454882 583464269 /nfs/dbraw/zinc/46/42/69/583464269.db2.gz BJCARHCSKMQFHI-DGCLKSJQSA-N 2 1 242.363 1.258 20 0 BDADMP C[NH+](C)CCN(Cc1cnc[nH]1)Cc1ccco1 ZINC000894771777 583516826 /nfs/dbraw/zinc/51/68/26/583516826.db2.gz VTFXMVDKQVMECR-UHFFFAOYSA-N 2 1 248.330 1.567 20 0 BDADMP Cc1ncoc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000894780959 583520550 /nfs/dbraw/zinc/52/05/50/583520550.db2.gz BJAMBDYJICHRSA-QWHCGFSZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000894780959 583520552 /nfs/dbraw/zinc/52/05/52/583520552.db2.gz BJAMBDYJICHRSA-QWHCGFSZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000894780959 583520553 /nfs/dbraw/zinc/52/05/53/583520553.db2.gz BJAMBDYJICHRSA-QWHCGFSZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000894780959 583520555 /nfs/dbraw/zinc/52/05/55/583520555.db2.gz BJAMBDYJICHRSA-QWHCGFSZSA-N 2 1 249.358 1.899 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894868160 583538325 /nfs/dbraw/zinc/53/83/25/583538325.db2.gz ZYRFAVVMKMXVMH-YUSLTOFOSA-N 2 1 238.375 1.769 20 0 BDADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000895154290 583607301 /nfs/dbraw/zinc/60/73/01/583607301.db2.gz WISMQPFKRZDCAU-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857872166 588917596 /nfs/dbraw/zinc/91/75/96/588917596.db2.gz HVACCYUHAFIQQL-KGYLQXTDSA-N 2 1 248.374 1.717 20 0 BDADMP C[C@H](CC[NH2+]Cc1cnc2cnccn12)[NH+](C)C ZINC000895296795 583641176 /nfs/dbraw/zinc/64/11/76/583641176.db2.gz QFYGOAQKPAJNMA-LLVKDONJSA-N 2 1 247.346 1.159 20 0 BDADMP c1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c[nH]1 ZINC000895349988 583656230 /nfs/dbraw/zinc/65/62/30/583656230.db2.gz CCPFHGAHBORULY-UHFFFAOYSA-N 2 1 248.374 1.621 20 0 BDADMP C[C@@H]1[C@@H](Nc2cc[nH+]cc2C2CC2)CC[N@H+]1C ZINC000895733912 583717099 /nfs/dbraw/zinc/71/70/99/583717099.db2.gz HOKXQDPLLKCNHG-MFKMUULPSA-N 2 1 231.343 1.885 20 0 BDADMP C[C@H]1[C@@H](Nc2cc(N(C)C)ncn2)CC[N@H+]1C ZINC000895736012 583718636 /nfs/dbraw/zinc/71/86/36/583718636.db2.gz YWAFZKHSOMQCHK-UWVGGRQHSA-N 2 1 235.335 1.047 20 0 BDADMP C[N@H+]1CC[C@H]1CNc1cc[nH+]cc1C1CC1 ZINC000895768402 583724277 /nfs/dbraw/zinc/72/42/77/583724277.db2.gz ZEJXAPKKFRHBHH-NSHDSACASA-N 2 1 217.316 1.497 20 0 BDADMP CN1CC[C@@H]1CNc1cc(N2CCCC2)ncn1 ZINC000895772095 583725173 /nfs/dbraw/zinc/72/51/73/583725173.db2.gz WRGGUGJYFWKHIX-LLVKDONJSA-N 2 1 247.346 1.193 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CSC[C@H]1C)C[NH+](C)C ZINC000896879913 583845047 /nfs/dbraw/zinc/84/50/47/583845047.db2.gz IRSKOUPCSGLAOK-IJLUTSLNSA-N 2 1 246.420 1.294 20 0 BDADMP Cc1conc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000872142821 583948251 /nfs/dbraw/zinc/94/82/51/583948251.db2.gz FMVJHZXMFGMHGO-CYBMUJFWSA-N 2 1 249.358 1.805 20 0 BDADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000864451342 584005371 /nfs/dbraw/zinc/00/53/71/584005371.db2.gz HCLTYLSZZJYWCC-VXGBXAGGSA-N 2 1 238.379 1.194 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]c(CO)c2)[C@@H](C)C1 ZINC000858542307 588963917 /nfs/dbraw/zinc/96/39/17/588963917.db2.gz BKGRUAZFLYDIDU-NSHDSACASA-N 2 1 235.331 1.104 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899264413 584188899 /nfs/dbraw/zinc/18/88/99/584188899.db2.gz FELYECUBGRNXBJ-GHMZBOCLSA-N 2 1 240.395 1.629 20 0 BDADMP C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000899266863 584190072 /nfs/dbraw/zinc/19/00/72/584190072.db2.gz IGBMNBSCYHTBRE-MNOVXSKESA-N 2 1 238.379 1.241 20 0 BDADMP C[N@@H+](CCCCNc1cc[nH+]c(CO)c1)C1CC1 ZINC000858566462 588966603 /nfs/dbraw/zinc/96/66/03/588966603.db2.gz VGFPZPBRAMGZQF-UHFFFAOYSA-N 2 1 249.358 1.860 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](c2nc(C3([NH3+])CC3)no2)C1 ZINC000900017597 584267150 /nfs/dbraw/zinc/26/71/50/584267150.db2.gz NOVNEUUSXFSUQQ-JGVFFNPUSA-N 2 1 222.292 1.002 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346425 584558201 /nfs/dbraw/zinc/55/82/01/584558201.db2.gz LUBDOMOVEWUYMP-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346425 584558202 /nfs/dbraw/zinc/55/82/02/584558202.db2.gz LUBDOMOVEWUYMP-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000902415501 584589658 /nfs/dbraw/zinc/58/96/58/584589658.db2.gz GOZPBMLQSXKMRW-LBPRGKRZSA-N 2 1 220.291 1.894 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000902450093 584606439 /nfs/dbraw/zinc/60/64/39/584606439.db2.gz QNJISWJPCRHJCZ-ZJUUUORDSA-N 2 1 214.378 1.470 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000902453637 584608748 /nfs/dbraw/zinc/60/87/48/584608748.db2.gz CVPCRXLVYIQLNI-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP CC1(C)CCN(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000902453637 584608750 /nfs/dbraw/zinc/60/87/50/584608750.db2.gz CVPCRXLVYIQLNI-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP CC(C)C1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902467689 584614606 /nfs/dbraw/zinc/61/46/06/584614606.db2.gz RJJNCUVHTLQVRW-ZWMSFMBMSA-N 2 1 208.349 1.904 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000902482981 584624045 /nfs/dbraw/zinc/62/40/45/584624045.db2.gz OHYMQLZCYSYTDU-OLZOCXBDSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486951 584626038 /nfs/dbraw/zinc/62/60/38/584626038.db2.gz HYCHZFHYRJIMTJ-MXAVVETBSA-N 3 1 247.386 1.272 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000902513999 584629501 /nfs/dbraw/zinc/62/95/01/584629501.db2.gz KDHPJLXWYLMSIG-AGIUHOORSA-N 2 1 229.412 1.678 20 0 BDADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903171935 584732861 /nfs/dbraw/zinc/73/28/61/584732861.db2.gz UAZQKAIJTPJKMC-QXMXGUDHSA-N 2 1 237.391 1.295 20 0 BDADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903171935 584732862 /nfs/dbraw/zinc/73/28/62/584732862.db2.gz UAZQKAIJTPJKMC-QXMXGUDHSA-N 2 1 237.391 1.295 20 0 BDADMP O[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903192435 584733932 /nfs/dbraw/zinc/73/39/32/584733932.db2.gz MQNBUDUDHVBGPH-IBYNPJLGSA-N 2 1 236.359 1.257 20 0 BDADMP C[C@@H]1[C@@H](N[C@H]2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000903300685 584743915 /nfs/dbraw/zinc/74/39/15/584743915.db2.gz LFVNRJNAQFLUTL-AGIUHOORSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000903300685 584743916 /nfs/dbraw/zinc/74/39/16/584743916.db2.gz LFVNRJNAQFLUTL-AGIUHOORSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000903300685 584743918 /nfs/dbraw/zinc/74/39/18/584743918.db2.gz LFVNRJNAQFLUTL-AGIUHOORSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCN1C ZINC000903300685 584743920 /nfs/dbraw/zinc/74/39/20/584743920.db2.gz LFVNRJNAQFLUTL-AGIUHOORSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCN1C ZINC000903300685 584743921 /nfs/dbraw/zinc/74/39/21/584743921.db2.gz LFVNRJNAQFLUTL-AGIUHOORSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)(C)C[N@@H+](CCCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434355 584762030 /nfs/dbraw/zinc/76/20/30/584762030.db2.gz DEYOHDNNYZJWGL-OLZOCXBDSA-N 2 1 242.407 1.844 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCCO)CC(C)(C)C ZINC000903435093 584762079 /nfs/dbraw/zinc/76/20/79/584762079.db2.gz NTRVTMDYJFDXJD-OLZOCXBDSA-N 2 1 242.407 1.572 20 0 BDADMP C[N@@H+](CCC1CCOCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439764 584762516 /nfs/dbraw/zinc/76/25/16/584762516.db2.gz OCWGUKDGLNDMAQ-KGLIPLIRSA-N 2 1 240.391 1.862 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000903441428 584763920 /nfs/dbraw/zinc/76/39/20/584763920.db2.gz RPMHWGHIFJKOQQ-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903423394 584764204 /nfs/dbraw/zinc/76/42/04/584764204.db2.gz UTTDZLDCFLVDEP-GFCCVEGCSA-N 2 1 229.327 1.949 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425015 584765274 /nfs/dbraw/zinc/76/52/74/584765274.db2.gz ORIBUMJJWUTFKB-LPWJVIDDSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425014 584765337 /nfs/dbraw/zinc/76/53/37/584765337.db2.gz ORIBUMJJWUTFKB-LOWDOPEQSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000903460810 584766461 /nfs/dbraw/zinc/76/64/61/584766461.db2.gz IRUQOLJOGODTEB-OUAUKWLOSA-N 2 1 230.302 1.573 20 0 BDADMP c1c[nH+]c([C@H]2CCCN(C[C@H]3CCC[NH2+]3)C2)[nH]1 ZINC000903442454 584767197 /nfs/dbraw/zinc/76/71/97/584767197.db2.gz RBBQOQIODXZUMU-NWDGAFQWSA-N 2 1 234.347 1.341 20 0 BDADMP CC[N@@H+](CCc1ccccn1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442697 584768063 /nfs/dbraw/zinc/76/80/63/584768063.db2.gz YVIGAHFBLKNXLF-KGLIPLIRSA-N 2 1 247.386 1.802 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454715 584773145 /nfs/dbraw/zinc/77/31/45/584773145.db2.gz IGRYNVCXVUMNCD-VWYCJHECSA-N 3 1 213.369 1.077 20 0 BDADMP Cn1cc[nH+]c1[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903456056 584774171 /nfs/dbraw/zinc/77/41/71/584774171.db2.gz DPMZGEYUAVBXNK-CHWSQXEVSA-N 2 1 248.374 1.352 20 0 BDADMP C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903471862 584775240 /nfs/dbraw/zinc/77/52/40/584775240.db2.gz VDYKPXCIRLTZDK-CHWSQXEVSA-N 2 1 237.391 1.250 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000903472333 584776415 /nfs/dbraw/zinc/77/64/15/584776415.db2.gz SDJQMWPNYZWVNM-NEPJUHHUSA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903475809 584776836 /nfs/dbraw/zinc/77/68/36/584776836.db2.gz DOZRYABQHGNLPK-VOAKCMCISA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903475809 584776838 /nfs/dbraw/zinc/77/68/38/584776838.db2.gz DOZRYABQHGNLPK-VOAKCMCISA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903482183 584778900 /nfs/dbraw/zinc/77/89/00/584778900.db2.gz YWZCJLYQKJDMLM-YIYPIFLZSA-N 2 1 238.375 1.343 20 0 BDADMP c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)nc1 ZINC000903484174 584779560 /nfs/dbraw/zinc/77/95/60/584779560.db2.gz OXOIMEAJQNUOPO-AWEZNQCLSA-N 2 1 245.370 1.888 20 0 BDADMP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000903499662 584780015 /nfs/dbraw/zinc/78/00/15/584780015.db2.gz LKQZWZIWQUYITC-YUSALJHKSA-N 2 1 237.347 1.961 20 0 BDADMP CNC[C@@H]1CCCC[N@@H+]1C[C@H]1CCO[C@@H]1C ZINC000903527083 584781896 /nfs/dbraw/zinc/78/18/96/584781896.db2.gz SERPOARXLRYREP-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CNC[C@@H]1CCCC[N@H+]1C[C@H]1CCO[C@@H]1C ZINC000903527083 584781897 /nfs/dbraw/zinc/78/18/97/584781897.db2.gz SERPOARXLRYREP-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP COCCCCC[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903556360 584782704 /nfs/dbraw/zinc/78/27/04/584782704.db2.gz WLPIFWDVSQCWOZ-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCCC[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903556360 584782706 /nfs/dbraw/zinc/78/27/06/584782706.db2.gz WLPIFWDVSQCWOZ-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP CC1(C)C[N@H+](CCCc2ccncc2)C[C@@H]1N ZINC000903556628 584783008 /nfs/dbraw/zinc/78/30/08/584783008.db2.gz BYMWYYLEWHNQNM-ZDUSSCGKSA-N 2 1 233.359 1.683 20 0 BDADMP CC1(C)C[N@@H+](CCCc2ccncc2)C[C@@H]1N ZINC000903556628 584783009 /nfs/dbraw/zinc/78/30/09/584783009.db2.gz BYMWYYLEWHNQNM-ZDUSSCGKSA-N 2 1 233.359 1.683 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CC(C)C2)CCO1 ZINC000903716914 584792086 /nfs/dbraw/zinc/79/20/86/584792086.db2.gz DTXFZPIMLWGHGL-RSJDFQLWSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CC(C)C2)CCO1 ZINC000903716914 584792088 /nfs/dbraw/zinc/79/20/88/584792088.db2.gz DTXFZPIMLWGHGL-RSJDFQLWSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729257 584792699 /nfs/dbraw/zinc/79/26/99/584792699.db2.gz LKKPECOGYCNSCE-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP OCCCC[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903729568 584792783 /nfs/dbraw/zinc/79/27/83/584792783.db2.gz OVSCNDGNWCSIBU-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP CC[N@@H+](CC1CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729915 584792797 /nfs/dbraw/zinc/79/27/97/584792797.db2.gz SNEOCYLGMWXTJK-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903735136 584795924 /nfs/dbraw/zinc/79/59/24/584795924.db2.gz YBPOVFHICNJNSC-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000903761589 584797081 /nfs/dbraw/zinc/79/70/81/584797081.db2.gz WUKAGLPOAVZZBD-PYNQCMFNSA-N 2 1 210.365 1.949 20 0 BDADMP CC12CC(C1)C[N@H+]2C[C@H]1CCCC[NH2+]C1 ZINC000903770343 584797818 /nfs/dbraw/zinc/79/78/18/584797818.db2.gz XBRXFZZWRAGZLS-HIFPTAJRSA-N 2 1 208.349 1.860 20 0 BDADMP CC1CC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000903781481 584799703 /nfs/dbraw/zinc/79/97/03/584799703.db2.gz RMUWTTWWRYISFL-TYUFSLCMSA-N 2 1 208.349 1.859 20 0 BDADMP CC1CC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000903781481 584799704 /nfs/dbraw/zinc/79/97/04/584799704.db2.gz RMUWTTWWRYISFL-TYUFSLCMSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903784720 584800012 /nfs/dbraw/zinc/80/00/12/584800012.db2.gz QOBGCRWBTITSFO-HZSPNIEDSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1cc(C)nc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000903783237 584800143 /nfs/dbraw/zinc/80/01/43/584800143.db2.gz WRPIHDNAKRRFDC-CHWSQXEVSA-N 2 1 233.359 1.914 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])O1 ZINC000903801680 584802135 /nfs/dbraw/zinc/80/21/35/584802135.db2.gz PAOWPLHVNUAHSL-XJFOESAGSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])O1 ZINC000903801680 584802136 /nfs/dbraw/zinc/80/21/36/584802136.db2.gz PAOWPLHVNUAHSL-XJFOESAGSA-N 2 1 238.375 1.757 20 0 BDADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cc[nH]n2)CCC1 ZINC000903811884 584803659 /nfs/dbraw/zinc/80/36/59/584803659.db2.gz PJRZJNAEPMXVHX-CYBMUJFWSA-N 2 1 248.374 1.893 20 0 BDADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cc[nH]n2)CCC1 ZINC000903811884 584803661 /nfs/dbraw/zinc/80/36/61/584803661.db2.gz PJRZJNAEPMXVHX-CYBMUJFWSA-N 2 1 248.374 1.893 20 0 BDADMP NC[C@@]12CC[C@H]1CC[N@@H+]2Cc1cccc(N)c1 ZINC000903856059 584809441 /nfs/dbraw/zinc/80/94/41/584809441.db2.gz PMSSJUBCQFMLAI-JSGCOSHPSA-N 2 1 231.343 1.582 20 0 BDADMP NC[C@@]12CC[C@H]1CC[N@H+]2Cc1cccc(N)c1 ZINC000903856059 584809442 /nfs/dbraw/zinc/80/94/42/584809442.db2.gz PMSSJUBCQFMLAI-JSGCOSHPSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903856059 584809444 /nfs/dbraw/zinc/80/94/44/584809444.db2.gz PMSSJUBCQFMLAI-JSGCOSHPSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903856059 584809446 /nfs/dbraw/zinc/80/94/46/584809446.db2.gz PMSSJUBCQFMLAI-JSGCOSHPSA-N 2 1 231.343 1.582 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3CC[C@@]32CN)O1 ZINC000903856627 584809616 /nfs/dbraw/zinc/80/96/16/584809616.db2.gz AQLPANJEPSGGJT-FDYHWXHSSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3CC[C@@]32CN)O1 ZINC000903856627 584809617 /nfs/dbraw/zinc/80/96/17/584809617.db2.gz AQLPANJEPSGGJT-FDYHWXHSSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])O1 ZINC000903856627 584809618 /nfs/dbraw/zinc/80/96/18/584809618.db2.gz AQLPANJEPSGGJT-FDYHWXHSSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])O1 ZINC000903856627 584809619 /nfs/dbraw/zinc/80/96/19/584809619.db2.gz AQLPANJEPSGGJT-FDYHWXHSSA-N 2 1 224.348 1.367 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2CCCCCC[NH3+] ZINC000903861430 584811640 /nfs/dbraw/zinc/81/16/40/584811640.db2.gz WWOTYSPEAKZDJG-QWHCGFSZSA-N 2 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861430 584811641 /nfs/dbraw/zinc/81/16/41/584811641.db2.gz WWOTYSPEAKZDJG-QWHCGFSZSA-N 3 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861430 584811642 /nfs/dbraw/zinc/81/16/42/584811642.db2.gz WWOTYSPEAKZDJG-QWHCGFSZSA-N 3 1 225.380 1.319 20 0 BDADMP CCO[C@H](C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903860028 584812359 /nfs/dbraw/zinc/81/23/59/584812359.db2.gz QASRLUXJVGFWRI-BFHYXJOUSA-N 2 1 238.375 1.615 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903860028 584812360 /nfs/dbraw/zinc/81/23/60/584812360.db2.gz QASRLUXJVGFWRI-BFHYXJOUSA-N 2 1 238.375 1.615 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869167 584814818 /nfs/dbraw/zinc/81/48/18/584814818.db2.gz CXEZWDNGXDHYGL-CRWXNKLISA-N 2 1 220.360 1.860 20 0 BDADMP C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)[NH2+]1 ZINC000903873698 584816103 /nfs/dbraw/zinc/81/61/03/584816103.db2.gz KVEGDHRICJEFFB-DUJLVANISA-N 2 1 237.391 1.199 20 0 BDADMP CCOC(=O)C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903881334 584817648 /nfs/dbraw/zinc/81/76/48/584817648.db2.gz YIZPWDVGXJVTAI-YOGCLGLASA-N 2 1 240.347 1.012 20 0 BDADMP CN(C[C@H]([NH3+])CC(F)F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000903892911 584818772 /nfs/dbraw/zinc/81/87/72/584818772.db2.gz XZYCQKLZWULGIB-MWLCHTKSSA-N 2 1 247.333 1.137 20 0 BDADMP OCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000903913077 584822530 /nfs/dbraw/zinc/82/25/30/584822530.db2.gz LIFWUPMOGNYZRT-YHWZYXNKSA-N 2 1 238.375 1.364 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC[C@@H]([NH3+])CC(F)F ZINC000903923145 584823565 /nfs/dbraw/zinc/82/35/65/584823565.db2.gz MNHOASYSHNPUSF-QWRGUYRKSA-N 2 1 249.349 1.433 20 0 BDADMP NC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918036 584826796 /nfs/dbraw/zinc/82/67/96/584826796.db2.gz QRNLOBRBSKBHME-HNNXBMFYSA-N 2 1 245.370 1.159 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918036 584826797 /nfs/dbraw/zinc/82/67/97/584826797.db2.gz QRNLOBRBSKBHME-HNNXBMFYSA-N 3 1 245.370 1.159 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903918199 584826883 /nfs/dbraw/zinc/82/68/83/584826883.db2.gz UWKVBMGTUZNBAZ-OEWLLCOZSA-N 3 1 249.402 1.201 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903918199 584826885 /nfs/dbraw/zinc/82/68/85/584826885.db2.gz UWKVBMGTUZNBAZ-OEWLLCOZSA-N 3 1 249.402 1.201 20 0 BDADMP FC1(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903959495 584827866 /nfs/dbraw/zinc/82/78/66/584827866.db2.gz IZRSXTXJINHZMA-GFCCVEGCSA-N 2 1 226.339 1.954 20 0 BDADMP FC1(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903959495 584827867 /nfs/dbraw/zinc/82/78/67/584827867.db2.gz IZRSXTXJINHZMA-GFCCVEGCSA-N 2 1 226.339 1.954 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939957 584828944 /nfs/dbraw/zinc/82/89/44/584828944.db2.gz RMEHNQKNXBREKU-GHMZBOCLSA-N 3 1 213.369 1.234 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000903939857 584829249 /nfs/dbraw/zinc/82/92/49/584829249.db2.gz PBGKLCBLCPDMDA-RYUDHWBXSA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000903939857 584829250 /nfs/dbraw/zinc/82/92/50/584829250.db2.gz PBGKLCBLCPDMDA-RYUDHWBXSA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000903939857 584829251 /nfs/dbraw/zinc/82/92/51/584829251.db2.gz PBGKLCBLCPDMDA-RYUDHWBXSA-N 3 1 227.396 1.434 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCC[NH+]1CCCCC1 ZINC000903949179 584830283 /nfs/dbraw/zinc/83/02/83/584830283.db2.gz ZRIOFZYVVXRGRO-UHFFFAOYSA-N 3 1 227.396 1.533 20 0 BDADMP CC[N@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)[C@H](C)C1 ZINC000903950164 584831099 /nfs/dbraw/zinc/83/10/99/584831099.db2.gz JBYQWMVQHAAIFU-RISCZKNCSA-N 2 1 248.374 1.484 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955960 584831996 /nfs/dbraw/zinc/83/19/96/584831996.db2.gz DDTYMQYQDBCSMD-AXFHLTTASA-N 3 1 247.333 1.091 20 0 BDADMP COC1(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)CCCC1 ZINC000903964740 584833939 /nfs/dbraw/zinc/83/39/39/584833939.db2.gz PBVRXAFOYJVONC-GHMZBOCLSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000904300763 584861051 /nfs/dbraw/zinc/86/10/51/584861051.db2.gz AHGXREDPFZSUIH-OAHLLOKOSA-N 3 1 249.402 1.951 20 0 BDADMP CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(C[NH3+])cc1 ZINC000904300763 584861052 /nfs/dbraw/zinc/86/10/52/584861052.db2.gz AHGXREDPFZSUIH-OAHLLOKOSA-N 2 1 249.402 1.951 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904300772 584861253 /nfs/dbraw/zinc/86/12/53/584861253.db2.gz ANZDJKFEYYBAGO-GRYCIOLGSA-N 3 1 213.369 1.029 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(C[NH3+])CC1 ZINC000904300146 584861312 /nfs/dbraw/zinc/86/13/12/584861312.db2.gz XFSGFWDSGROCED-ZDUSSCGKSA-N 3 1 241.423 1.811 20 0 BDADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000904309236 584862567 /nfs/dbraw/zinc/86/25/67/584862567.db2.gz DYUZFCCHSJTAOU-LOWVWBTDSA-N 2 1 235.331 1.857 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC000904313875 584863305 /nfs/dbraw/zinc/86/33/05/584863305.db2.gz MJZFEOMUBBNGDX-HZSPNIEDSA-N 2 1 237.391 1.284 20 0 BDADMP Cc1cc([C@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)on1 ZINC000904312746 584863631 /nfs/dbraw/zinc/86/36/31/584863631.db2.gz SDDKBMSEIBGLLG-GRYCIOLGSA-N 2 1 235.331 1.857 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322571 584864438 /nfs/dbraw/zinc/86/44/38/584864438.db2.gz DEKZSFLLCSPWAS-YIYPIFLZSA-N 3 1 239.407 1.386 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322571 584864440 /nfs/dbraw/zinc/86/44/40/584864440.db2.gz DEKZSFLLCSPWAS-YIYPIFLZSA-N 3 1 239.407 1.386 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322571 584864441 /nfs/dbraw/zinc/86/44/41/584864441.db2.gz DEKZSFLLCSPWAS-YIYPIFLZSA-N 3 1 239.407 1.386 20 0 BDADMP CCN1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322571 584864443 /nfs/dbraw/zinc/86/44/43/584864443.db2.gz DEKZSFLLCSPWAS-YIYPIFLZSA-N 2 1 239.407 1.386 20 0 BDADMP CCN1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322571 584864445 /nfs/dbraw/zinc/86/44/45/584864445.db2.gz DEKZSFLLCSPWAS-YIYPIFLZSA-N 2 1 239.407 1.386 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322076 584864518 /nfs/dbraw/zinc/86/45/18/584864518.db2.gz NXKWEZGETJTYDP-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904323288 584864587 /nfs/dbraw/zinc/86/45/87/584864587.db2.gz NSQXFFVFGXJFPR-NDBYEHHHSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000904323288 584864588 /nfs/dbraw/zinc/86/45/88/584864588.db2.gz NSQXFFVFGXJFPR-NDBYEHHHSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000904323288 584864589 /nfs/dbraw/zinc/86/45/89/584864589.db2.gz NSQXFFVFGXJFPR-NDBYEHHHSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[NH+]1C ZINC000904323288 584864590 /nfs/dbraw/zinc/86/45/90/584864590.db2.gz NSQXFFVFGXJFPR-NDBYEHHHSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[NH+]1C ZINC000904323288 584864591 /nfs/dbraw/zinc/86/45/91/584864591.db2.gz NSQXFFVFGXJFPR-NDBYEHHHSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904334437 584866369 /nfs/dbraw/zinc/86/63/69/584866369.db2.gz WBDWGZHTTCGEIF-ZIAGYGMSSA-N 3 1 239.407 1.437 20 0 BDADMP CCN1C[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340728 584866876 /nfs/dbraw/zinc/86/68/76/584866876.db2.gz LBRPMFXUJSDWOR-ZDEQEGDKSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343293 584867789 /nfs/dbraw/zinc/86/77/89/584867789.db2.gz SGMGBUMQYNNNIC-NJMOYASZSA-N 2 1 226.364 1.205 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904347742 584868068 /nfs/dbraw/zinc/86/80/68/584868068.db2.gz JOWFSAWQDMKECY-FRRDWIJNSA-N 2 1 226.364 1.208 20 0 BDADMP Cn1nccc1[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350942 584869551 /nfs/dbraw/zinc/86/95/51/584869551.db2.gz RTKFDNMHHZWHOB-MBNYWOFBSA-N 2 1 248.374 1.684 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])CNCC(F)(F)C[NH3+] ZINC000904354956 584870652 /nfs/dbraw/zinc/87/06/52/584870652.db2.gz HSBKGVJGYUGHHI-VIFPVBQESA-N 2 1 237.338 1.324 20 0 BDADMP C[C@@]1(C[NH2+]CCC[NH2+]C2CC2)CCC[NH2+]C1 ZINC000904357710 584872216 /nfs/dbraw/zinc/87/22/16/584872216.db2.gz ANISPYPCOYGPRL-CYBMUJFWSA-N 3 1 225.380 1.108 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)C1 ZINC000904372094 584873360 /nfs/dbraw/zinc/87/33/60/584873360.db2.gz YMFCSVGSZCGGEZ-ATGSNQNLSA-N 2 1 246.354 1.532 20 0 BDADMP C[C@H]1CC2(C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1)CC[NH2+]CC2 ZINC000904374086 584873938 /nfs/dbraw/zinc/87/39/38/584873938.db2.gz MOFAHMAOIYZDQB-RWMBFGLXSA-N 3 1 237.391 1.188 20 0 BDADMP CC(C)(C)CC[C@H](N)C[NH2+]CCC1(C[NH3+])CC1 ZINC000904375892 584875186 /nfs/dbraw/zinc/87/51/86/584875186.db2.gz JROVKGTTZCMMRG-LBPRGKRZSA-N 2 1 241.423 1.859 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2ccc(N)nn2)[C@H]1CC[NH3+] ZINC000904376923 584875901 /nfs/dbraw/zinc/87/59/01/584875901.db2.gz ZBSZQGAZYFCWLA-JQWIXIFHSA-N 2 1 249.362 1.008 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccc(N)nn2)[C@H]1CC[NH3+] ZINC000904376923 584875903 /nfs/dbraw/zinc/87/59/03/584875903.db2.gz ZBSZQGAZYFCWLA-JQWIXIFHSA-N 2 1 249.362 1.008 20 0 BDADMP CC(C)([NH3+])CC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904386276 584877655 /nfs/dbraw/zinc/87/76/55/584877655.db2.gz VHLOITNPEDVEOR-LBPRGKRZSA-N 3 1 213.369 1.093 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904405301 584878265 /nfs/dbraw/zinc/87/82/65/584878265.db2.gz KIVMICUSZDCRQB-HNNXBMFYSA-N 2 1 247.386 1.993 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)CC[NH2+]1 ZINC000904407105 584878495 /nfs/dbraw/zinc/87/84/95/584878495.db2.gz NITMXAUTXWEEQC-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904407290 584878947 /nfs/dbraw/zinc/87/89/47/584878947.db2.gz SNDSBZWPCFDBQC-CQSZACIVSA-N 3 1 233.359 1.316 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410597 584879070 /nfs/dbraw/zinc/87/90/70/584879070.db2.gz PNOLQIMAPLSHCG-JHJVBQTASA-N 3 1 227.396 1.134 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000904407673 584879089 /nfs/dbraw/zinc/87/90/89/584879089.db2.gz YOZBBXDLINFRCD-FUDCBSFHSA-N 3 1 237.391 1.188 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412324 584879564 /nfs/dbraw/zinc/87/95/64/584879564.db2.gz SCVUIHPXPRRHSU-GXSJLCMTSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412324 584879566 /nfs/dbraw/zinc/87/95/66/584879566.db2.gz SCVUIHPXPRRHSU-GXSJLCMTSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412324 584879567 /nfs/dbraw/zinc/87/95/67/584879567.db2.gz SCVUIHPXPRRHSU-GXSJLCMTSA-N 2 1 222.336 1.135 20 0 BDADMP CCC[C@@H](C)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420262 584881999 /nfs/dbraw/zinc/88/19/99/584881999.db2.gz IRKJJTNVNYWGOF-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000738311683 585042294 /nfs/dbraw/zinc/04/22/94/585042294.db2.gz IEJDPEBYPJMXHM-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)C1CC1)CC2 ZINC000838910116 585077864 /nfs/dbraw/zinc/07/78/64/585077864.db2.gz MVICCMVEINNLHE-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@H]1CC[C@H](C)C1[NH2+]CCc1c[nH+]cn1C ZINC000838989540 585084643 /nfs/dbraw/zinc/08/46/43/585084643.db2.gz VREDVSYIOARVHV-QWRGUYRKSA-N 2 1 221.348 1.987 20 0 BDADMP CN(CCF)[C@H]1CCC[N@H+](CCF)CC1 ZINC000754352016 585282785 /nfs/dbraw/zinc/28/27/85/585282785.db2.gz OPXGCVMVZJPYIM-NSHDSACASA-N 2 1 220.307 1.712 20 0 BDADMP CN(CCF)[C@H]1CCC[N@@H+](CCF)CC1 ZINC000754352016 585282786 /nfs/dbraw/zinc/28/27/86/585282786.db2.gz OPXGCVMVZJPYIM-NSHDSACASA-N 2 1 220.307 1.712 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843057893 585336792 /nfs/dbraw/zinc/33/67/92/585336792.db2.gz NLRHBZVDAGCVGU-WCQYABFASA-N 2 1 246.354 1.886 20 0 BDADMP C[C@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762651633 585434958 /nfs/dbraw/zinc/43/49/58/585434958.db2.gz USADNUZLKFRKJI-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762651633 585434959 /nfs/dbraw/zinc/43/49/59/585434959.db2.gz USADNUZLKFRKJI-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000765140719 585481774 /nfs/dbraw/zinc/48/17/74/585481774.db2.gz ALTSHCTUUOMQKN-AWEZNQCLSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000765850317 585493244 /nfs/dbraw/zinc/49/32/44/585493244.db2.gz XGQKDQBEUNYYLI-UKRRQHHQSA-N 2 1 248.370 1.494 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)C2CC2)CCN1C ZINC000767414200 585519541 /nfs/dbraw/zinc/51/95/41/585519541.db2.gz IVMKQAIKNSPVMA-AAEUAGOBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000767586327 585522921 /nfs/dbraw/zinc/52/29/21/585522921.db2.gz GAHHHCYYVCZVJV-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@@H]1[C@H](C)N(CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000771458168 585594803 /nfs/dbraw/zinc/59/48/03/585594803.db2.gz CZBPWWOVAGVOTF-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CC2OCCO2)C[C@@H]1C ZINC000777596161 585716427 /nfs/dbraw/zinc/71/64/27/585716427.db2.gz KNNPCVULNRWKAV-RYUDHWBXSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@@H]1C[C@H](NCc2ccc(F)nc2)CC[N@H+]1C ZINC000778172380 585726719 /nfs/dbraw/zinc/72/67/19/585726719.db2.gz IOWKMGIRSLYLOZ-ZYHUDNBSSA-N 2 1 237.322 1.793 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)CCN1C ZINC000778172380 585726720 /nfs/dbraw/zinc/72/67/20/585726720.db2.gz IOWKMGIRSLYLOZ-ZYHUDNBSSA-N 2 1 237.322 1.793 20 0 BDADMP C[C@@H](CCO)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000779344230 585752084 /nfs/dbraw/zinc/75/20/84/585752084.db2.gz GRERAPKQHVGJSZ-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP C[C@@H](CCO)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000779344230 585752085 /nfs/dbraw/zinc/75/20/85/585752085.db2.gz GRERAPKQHVGJSZ-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000779344354 585752279 /nfs/dbraw/zinc/75/22/79/585752279.db2.gz XFQWRQNPGJLHFN-FRRDWIJNSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000779344354 585752280 /nfs/dbraw/zinc/75/22/80/585752280.db2.gz XFQWRQNPGJLHFN-FRRDWIJNSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H]1CC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000783240805 585831870 /nfs/dbraw/zinc/83/18/70/585831870.db2.gz RQVMGUWTCGXSOD-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CCCC[C@H]1C(=O)OCCC[NH+](C)C ZINC000791932980 585991722 /nfs/dbraw/zinc/99/17/22/585991722.db2.gz ZITFFKLNSCDWLK-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CC[N@H+]1CCCC[C@H]1C(=O)OCCC[NH+](C)C ZINC000791932980 585991723 /nfs/dbraw/zinc/99/17/23/585991723.db2.gz ZITFFKLNSCDWLK-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)n(C)n1 ZINC000793555099 586022868 /nfs/dbraw/zinc/02/28/68/586022868.db2.gz AGCVYODSHCNTKT-NSHDSACASA-N 2 1 247.346 1.355 20 0 BDADMP C[C@@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178574 586165546 /nfs/dbraw/zinc/16/55/46/586165546.db2.gz VSROMGNXVONKIL-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CSCCS1 ZINC000817898562 586835122 /nfs/dbraw/zinc/83/51/22/586835122.db2.gz ITSCCBYGTDLBAH-VWYCJHECSA-N 2 1 246.445 1.423 20 0 BDADMP CCN(C)c1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817902659 586835758 /nfs/dbraw/zinc/83/57/58/586835758.db2.gz WKQJMSXZSXXSIZ-GFCCVEGCSA-N 2 1 247.386 1.840 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000817911429 586838128 /nfs/dbraw/zinc/83/81/28/586838128.db2.gz AHFBMIXKWBTMEG-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000817911429 586838130 /nfs/dbraw/zinc/83/81/30/586838130.db2.gz AHFBMIXKWBTMEG-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913083 586838195 /nfs/dbraw/zinc/83/81/95/586838195.db2.gz NXHVYTYOFTZGRJ-CQLXCSJHSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817913826 586839508 /nfs/dbraw/zinc/83/95/08/586839508.db2.gz MFJLOUKNYDGELK-GVXVVHGQSA-N 2 1 222.332 1.941 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])N1CCCCC1 ZINC000817914679 586839584 /nfs/dbraw/zinc/83/95/84/586839584.db2.gz XZHMNPLVIGGMNQ-AGIUHOORSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000817913652 586839614 /nfs/dbraw/zinc/83/96/14/586839614.db2.gz PNMXYOWBRRLMLB-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817913652 586839616 /nfs/dbraw/zinc/83/96/16/586839616.db2.gz PNMXYOWBRRLMLB-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CCC[C@H]1C ZINC000817914428 586839712 /nfs/dbraw/zinc/83/97/12/586839712.db2.gz XGAOJDJQCFIIQM-QJPTWQEYSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCC[C@H]1C ZINC000817914428 586839714 /nfs/dbraw/zinc/83/97/14/586839714.db2.gz XGAOJDJQCFIIQM-QJPTWQEYSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1F ZINC000817927719 586841645 /nfs/dbraw/zinc/84/16/45/586841645.db2.gz QKTPLCQJRJZLBJ-ZYHUDNBSSA-N 2 1 237.322 1.698 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CCF)CC[NH2+]CC2 ZINC000818341205 586887275 /nfs/dbraw/zinc/88/72/75/586887275.db2.gz XZHXDKXVCMEQCT-JTQLQIEISA-N 2 1 200.301 1.420 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)C1CC1 ZINC000819100826 586930816 /nfs/dbraw/zinc/93/08/16/586930816.db2.gz JAMIIGAUIKXXJF-ZDUSSCGKSA-N 2 1 237.347 1.332 20 0 BDADMP CC[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCCC1 ZINC000823199978 587207926 /nfs/dbraw/zinc/20/79/26/587207926.db2.gz LOWIUDUJBNGUHP-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CCC[N@@H+](C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828551 587692705 /nfs/dbraw/zinc/69/27/05/587692705.db2.gz FSGPSVOEUKIDLP-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000841020161 587935633 /nfs/dbraw/zinc/93/56/33/587935633.db2.gz NTCMXQIOXMVGPS-LLVKDONJSA-N 2 1 205.305 1.220 20 0 BDADMP CCc1nn(C)c(Cl)c1C[NH2+][C@H](C)CC[NH3+] ZINC000841050720 587939895 /nfs/dbraw/zinc/93/98/95/587939895.db2.gz JXYGANKWHCEXQI-MRVPVSSYSA-N 2 1 244.770 1.463 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000841065152 587941072 /nfs/dbraw/zinc/94/10/72/587941072.db2.gz YEJUYBHUPVXHFM-KOLCDFICSA-N 2 1 239.750 1.823 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000841064242 587941869 /nfs/dbraw/zinc/94/18/69/587941869.db2.gz WMOUCGVDLBJMAI-OCCSQVGLSA-N 2 1 240.391 1.923 20 0 BDADMP Cn1cnc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000842222048 588007560 /nfs/dbraw/zinc/00/75/60/588007560.db2.gz XPIFTWLSKUQLRQ-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP FCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474671 588028392 /nfs/dbraw/zinc/02/83/92/588028392.db2.gz WTGCPDJYVPEPFN-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP FCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474671 588028394 /nfs/dbraw/zinc/02/83/94/588028394.db2.gz WTGCPDJYVPEPFN-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043799 588075813 /nfs/dbraw/zinc/07/58/13/588075813.db2.gz HSZHCRLFXPPRRS-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCC[NH3+])[C@@H](C)C1 ZINC000843126544 588084584 /nfs/dbraw/zinc/08/45/84/588084584.db2.gz IOFGVLJKQOKKAB-UONOGXRCSA-N 3 1 241.423 1.825 20 0 BDADMP CCN1CC[C@@H]([NH2+]CCCCCC[NH3+])[C@@H](C)C1 ZINC000843126544 588084586 /nfs/dbraw/zinc/08/45/86/588084586.db2.gz IOFGVLJKQOKKAB-UONOGXRCSA-N 2 1 241.423 1.825 20 0 BDADMP C[C@@H](CN)[N@@H+](C)CCCCCCC[NH3+] ZINC000843350035 588102579 /nfs/dbraw/zinc/10/25/79/588102579.db2.gz DUUAMIWLFRRVBO-NSHDSACASA-N 2 1 201.358 1.175 20 0 BDADMP C[C@@H](C[NH3+])N(C)CCCCCCC[NH3+] ZINC000843350035 588102580 /nfs/dbraw/zinc/10/25/80/588102580.db2.gz DUUAMIWLFRRVBO-NSHDSACASA-N 2 1 201.358 1.175 20 0 BDADMP CCCOC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000843348900 588102603 /nfs/dbraw/zinc/10/26/03/588102603.db2.gz XHZHQROGLKMMBN-GHMZBOCLSA-N 2 1 242.363 1.387 20 0 BDADMP NC(=O)C[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846218012 588259682 /nfs/dbraw/zinc/25/96/82/588259682.db2.gz GJKGQXFZWOZFEZ-LBPRGKRZSA-N 2 1 241.379 1.235 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000846220438 588259989 /nfs/dbraw/zinc/25/99/89/588259989.db2.gz PIUMHWZQAVBWQY-CYBMUJFWSA-N 3 1 225.380 1.191 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217968 588260362 /nfs/dbraw/zinc/26/03/62/588260362.db2.gz PPGDIKDSEQDOLZ-STQMWFEESA-N 2 1 227.396 1.565 20 0 BDADMP C[C@H]1C[C@@H]1C(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000848520004 588390926 /nfs/dbraw/zinc/39/09/26/588390926.db2.gz NXBRLMFAMORCNO-QWRGUYRKSA-N 2 1 225.336 1.627 20 0 BDADMP CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000848987176 588425986 /nfs/dbraw/zinc/42/59/86/588425986.db2.gz LIVFUOJJZPJNQD-QWRGUYRKSA-N 2 1 226.368 1.241 20 0 BDADMP C[C@H](CNC(=[NH2+])N(C)C)[N@H+]1CCCC[C@H]1C ZINC000848987406 588426097 /nfs/dbraw/zinc/42/60/97/588426097.db2.gz ULAKZQIIFHUNMV-GHMZBOCLSA-N 2 1 226.368 1.335 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NC2CCC2)C1 ZINC000848987716 588426161 /nfs/dbraw/zinc/42/61/61/588426161.db2.gz UTCMJAORGNEKBL-LLVKDONJSA-N 2 1 238.379 1.385 20 0 BDADMP C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+](C)C ZINC000848996572 588429315 /nfs/dbraw/zinc/42/93/15/588429315.db2.gz GGSZHHRUFBYPKV-WDEREUQCSA-N 2 1 226.368 1.193 20 0 BDADMP CCCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000849023192 588439635 /nfs/dbraw/zinc/43/96/35/588439635.db2.gz WIGMHMBGEZFOCZ-LBPRGKRZSA-N 2 1 238.379 1.527 20 0 BDADMP CN(C(=[NH2+])NCC[N@H+]1CCCC1(C)C)C1CC1 ZINC000849038708 588446248 /nfs/dbraw/zinc/44/62/48/588446248.db2.gz YUKKFLGZMOWMAP-UHFFFAOYSA-N 2 1 238.379 1.479 20 0 BDADMP C[N@@H+](CCCCNC(=[NH2+])NC(C)(C)C)C1CC1 ZINC000849039817 588447154 /nfs/dbraw/zinc/44/71/54/588447154.db2.gz SZMGEMMDGTYOPZ-UHFFFAOYSA-N 2 1 240.395 1.773 20 0 BDADMP CN(C(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000849040714 588447593 /nfs/dbraw/zinc/44/75/93/588447593.db2.gz CNWRHSUQLQGIOS-LLVKDONJSA-N 2 1 238.379 1.337 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041071 588448075 /nfs/dbraw/zinc/44/80/75/588448075.db2.gz JLIWJDWEVOYIQO-NEPJUHHUSA-N 2 1 240.395 1.631 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(OC)OC)C1 ZINC000851798877 588630306 /nfs/dbraw/zinc/63/03/06/588630306.db2.gz JAYPYAGODJEVPS-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(OC)OC)C1 ZINC000851798877 588630307 /nfs/dbraw/zinc/63/03/07/588630307.db2.gz JAYPYAGODJEVPS-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(OC)OC)C1 ZINC000851798877 588630308 /nfs/dbraw/zinc/63/03/08/588630308.db2.gz JAYPYAGODJEVPS-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)C1CC1)C2 ZINC000852107447 588663956 /nfs/dbraw/zinc/66/39/56/588663956.db2.gz LLNVHQWJLKBRTB-KBPBESRZSA-N 2 1 238.375 1.175 20 0 BDADMP COCC[N@H+](CCF)CCCc1c[nH+]cn1C ZINC000852480433 588683581 /nfs/dbraw/zinc/68/35/81/588683581.db2.gz VZJLXECTKIZVJA-UHFFFAOYSA-N 2 1 243.326 1.271 20 0 BDADMP COCC[N@@H+](CCF)CCCc1c[nH+]cn1C ZINC000852480433 588683582 /nfs/dbraw/zinc/68/35/82/588683582.db2.gz VZJLXECTKIZVJA-UHFFFAOYSA-N 2 1 243.326 1.271 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000852744316 588698964 /nfs/dbraw/zinc/69/89/64/588698964.db2.gz YIQGFIHCBLVXAL-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP CCC[N@@H+](CCOC(F)F)C1CC[NH2+]CC1 ZINC000852747159 588699043 /nfs/dbraw/zinc/69/90/43/588699043.db2.gz XSKFNTIUXAOBGW-UHFFFAOYSA-N 2 1 236.306 1.690 20 0 BDADMP FC(F)OCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000852750285 588699810 /nfs/dbraw/zinc/69/98/10/588699810.db2.gz YPRMTIUUGFZXRQ-GHMZBOCLSA-N 2 1 248.317 1.690 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOC(F)F ZINC000852750409 588700246 /nfs/dbraw/zinc/70/02/46/588700246.db2.gz UMWRETCVUJWINU-ZETCQYMHSA-N 2 1 210.268 1.189 20 0 BDADMP C[C@]1(C(N)=O)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852760869 588701040 /nfs/dbraw/zinc/70/10/40/588701040.db2.gz NTACJNXOQCBHGU-ZDUSSCGKSA-N 2 1 241.379 1.093 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CCSC1 ZINC000863482375 589292819 /nfs/dbraw/zinc/29/28/19/589292819.db2.gz GYHQSFAOTTZKMI-UWVGGRQHSA-N 2 1 212.362 1.366 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[NH2+]1 ZINC000863546208 589297749 /nfs/dbraw/zinc/29/77/49/589297749.db2.gz JZOCDUFOCCFXOM-GWNIPJSYSA-N 2 1 208.349 1.905 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCCCC[NH3+] ZINC000863567200 589299337 /nfs/dbraw/zinc/29/93/37/589299337.db2.gz CNHDBPANXNHJMV-LLVKDONJSA-N 3 1 201.358 1.175 20 0 BDADMP C[C@@H]([NH3+])CN(C)CCCCCCC[NH3+] ZINC000863567200 589299339 /nfs/dbraw/zinc/29/93/39/589299339.db2.gz CNHDBPANXNHJMV-LLVKDONJSA-N 2 1 201.358 1.175 20 0 BDADMP C[C@@H](N)C[N@H+](C)CCCCCCC[NH3+] ZINC000863567200 589299341 /nfs/dbraw/zinc/29/93/41/589299341.db2.gz CNHDBPANXNHJMV-LLVKDONJSA-N 2 1 201.358 1.175 20 0 BDADMP C[C@@H](N)C[N@@H+](C)CCCCCCC[NH3+] ZINC000863567200 589299342 /nfs/dbraw/zinc/29/93/42/589299342.db2.gz CNHDBPANXNHJMV-LLVKDONJSA-N 2 1 201.358 1.175 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000863569535 589300609 /nfs/dbraw/zinc/30/06/09/589300609.db2.gz YESJIRMYAULOMH-NSHDSACASA-N 3 1 213.369 1.045 20 0 BDADMP C[C@H]([NH3+])CN(C)CCCC1CC[NH2+]CC1 ZINC000863569535 589300610 /nfs/dbraw/zinc/30/06/10/589300610.db2.gz YESJIRMYAULOMH-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP C[C@H](N)C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000863569535 589300612 /nfs/dbraw/zinc/30/06/12/589300612.db2.gz YESJIRMYAULOMH-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP C[C@H](N)C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000863569535 589300614 /nfs/dbraw/zinc/30/06/14/589300614.db2.gz YESJIRMYAULOMH-NSHDSACASA-N 2 1 213.369 1.045 20 0 BDADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864456266 589366900 /nfs/dbraw/zinc/36/69/00/589366900.db2.gz HKLINPXQDOGCFG-IJLUTSLNSA-N 2 1 238.379 1.241 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NCCC1CC1)C(C)C ZINC000864456129 589367013 /nfs/dbraw/zinc/36/70/13/589367013.db2.gz CTNZWLGKBNBXJB-UHFFFAOYSA-N 2 1 240.395 1.631 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864458613 589368270 /nfs/dbraw/zinc/36/82/70/589368270.db2.gz OYADDJQYEUKRKY-IJLUTSLNSA-N 2 1 238.379 1.383 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864459038 589368301 /nfs/dbraw/zinc/36/83/01/589368301.db2.gz YQKKUTWCVPOOCY-WDEREUQCSA-N 2 1 226.368 1.241 20 0 BDADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864460750 589368676 /nfs/dbraw/zinc/36/86/76/589368676.db2.gz JLTSQXMXHUNLFV-PWSUYJOCSA-N 2 1 249.362 1.494 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC000865698564 589457221 /nfs/dbraw/zinc/45/72/21/589457221.db2.gz CSBQDXKZPRFGIN-NWDGAFQWSA-N 2 1 214.328 1.951 20 0 BDADMP Fc1cc(CNCc2cnc3n2CCC3)ccn1 ZINC000865723302 589458691 /nfs/dbraw/zinc/45/86/91/589458691.db2.gz XEZFOMPOWXSHGB-UHFFFAOYSA-N 2 1 246.289 1.653 20 0 BDADMP CC(C)[C@H]1CN(c2cc[nH+]c(CO)c2)CC[N@H+]1C ZINC000866216552 589481054 /nfs/dbraw/zinc/48/10/54/589481054.db2.gz SWKQNIHWNFZERQ-CQSZACIVSA-N 2 1 249.358 1.350 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](C3CCCC3)CC[C@H]21 ZINC000866585429 589502296 /nfs/dbraw/zinc/50/22/96/589502296.db2.gz XYWIALXVWAQLIS-WCQYABFASA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](C3CCCC3)CC[C@H]21 ZINC000866585429 589502297 /nfs/dbraw/zinc/50/22/97/589502297.db2.gz XYWIALXVWAQLIS-WCQYABFASA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000866585429 589502299 /nfs/dbraw/zinc/50/22/99/589502299.db2.gz XYWIALXVWAQLIS-WCQYABFASA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000866585429 589502300 /nfs/dbraw/zinc/50/23/00/589502300.db2.gz XYWIALXVWAQLIS-WCQYABFASA-N 2 1 208.349 1.955 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866717330 589514260 /nfs/dbraw/zinc/51/42/60/589514260.db2.gz BSALKOCBYVYZDK-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866717330 589514261 /nfs/dbraw/zinc/51/42/61/589514261.db2.gz BSALKOCBYVYZDK-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000866707195 589514475 /nfs/dbraw/zinc/51/44/75/589514475.db2.gz SYZIWFPUEFUQEZ-TZMCWYRMSA-N 2 1 240.391 1.720 20 0 BDADMP Cn1c[nH+]cc1CCCN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866724264 589515995 /nfs/dbraw/zinc/51/59/95/589515995.db2.gz MKPAMYANHADQQX-UONOGXRCSA-N 2 1 248.374 1.179 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141314 589881780 /nfs/dbraw/zinc/88/17/80/589881780.db2.gz DIDQWGZZLAJVSD-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000872142640 589883288 /nfs/dbraw/zinc/88/32/88/589883288.db2.gz BUGBEBPEJZIGMG-QWHCGFSZSA-N 2 1 249.358 1.805 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000872145447 589883890 /nfs/dbraw/zinc/88/38/90/589883890.db2.gz SPIQENHEAUHOGI-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000872145447 589883893 /nfs/dbraw/zinc/88/38/93/589883893.db2.gz SPIQENHEAUHOGI-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C)CO[C@H](C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000872144704 589883969 /nfs/dbraw/zinc/88/39/69/589883969.db2.gz FAKDXLFSXKACLV-DYEKYZERSA-N 2 1 238.375 1.615 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000872144704 589883971 /nfs/dbraw/zinc/88/39/71/589883971.db2.gz FAKDXLFSXKACLV-DYEKYZERSA-N 2 1 238.375 1.615 20 0 BDADMP Cc1conc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000872145577 589884396 /nfs/dbraw/zinc/88/43/96/589884396.db2.gz UDNGSBQOGIRBLT-LBPRGKRZSA-N 2 1 249.358 1.947 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCC1 ZINC000872154206 589885280 /nfs/dbraw/zinc/88/52/80/589885280.db2.gz NKKSODFEHGIKQN-MELADBBJSA-N 2 1 238.375 1.343 20 0 BDADMP CCO[C@@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000872154825 589886032 /nfs/dbraw/zinc/88/60/32/589886032.db2.gz ZPFOKTGHQYAATG-MELADBBJSA-N 2 1 238.375 1.343 20 0 BDADMP COCC1([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000872157084 589886222 /nfs/dbraw/zinc/88/62/22/589886222.db2.gz ISACZLAHGARBIQ-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCC1CC[NH2+]CC1 ZINC000872155135 589886378 /nfs/dbraw/zinc/88/63/78/589886378.db2.gz DSYKDRNSPKICMQ-UHFFFAOYSA-N 3 1 241.423 1.827 20 0 BDADMP CC[N@@H+](CCO)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200360 589992875 /nfs/dbraw/zinc/99/28/75/589992875.db2.gz FMDVYJFQZPKLMQ-UHFFFAOYSA-N 2 1 240.372 1.208 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234282 590000729 /nfs/dbraw/zinc/00/07/29/590000729.db2.gz DIOGRRCTTSNSTR-IJLUTSLNSA-N 2 1 228.380 1.778 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000873231498 590002872 /nfs/dbraw/zinc/00/28/72/590002872.db2.gz LEUMRIDIRIQWBB-CYBMUJFWSA-N 3 1 227.396 1.437 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@]12C[C@H]1C[NH2+]C2 ZINC000873231465 590003084 /nfs/dbraw/zinc/00/30/84/590003084.db2.gz KCCAVNNGJJGOIW-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873241308 590005932 /nfs/dbraw/zinc/00/59/32/590005932.db2.gz GCCTZVRTXCADPM-VXGBXAGGSA-N 2 1 237.322 1.970 20 0 BDADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249843 590007810 /nfs/dbraw/zinc/00/78/10/590007810.db2.gz MUXBTGFGENATCX-REBRKWNGSA-N 2 1 247.386 1.272 20 0 BDADMP N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2ccccc21 ZINC000873256256 590011099 /nfs/dbraw/zinc/01/10/99/590011099.db2.gz NEVDETIFTZAXLQ-NUZBWSBOSA-N 2 1 231.343 1.458 20 0 BDADMP C[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000873260469 590013615 /nfs/dbraw/zinc/01/36/15/590013615.db2.gz AZNBMWQHCNGMJK-RGDJUOJXSA-N 2 1 237.391 1.247 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261671 590013992 /nfs/dbraw/zinc/01/39/92/590013992.db2.gz QBXIYMFCFOCSGF-HPCHECBXSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC000873297094 590025117 /nfs/dbraw/zinc/02/51/17/590025117.db2.gz RBZYTERIFSPTSB-YWPYICTPSA-N 2 1 247.386 1.416 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2OCCO2)C1 ZINC000124562929 590058734 /nfs/dbraw/zinc/05/87/34/590058734.db2.gz UJOLPGIESJWRFN-GFCCVEGCSA-N 2 1 242.363 1.023 20 0 BDADMP C[C@@H]1CCC[N@@H+]1CCNCC1=CCCOC1 ZINC000124788936 590085764 /nfs/dbraw/zinc/08/57/64/590085764.db2.gz AXSUBEBBKPNAAM-GFCCVEGCSA-N 2 1 224.348 1.407 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C2CSC2)CC1(C)C ZINC000877634388 590380225 /nfs/dbraw/zinc/38/02/25/590380225.db2.gz NZUHODVGUFEZCA-SECBINFHSA-N 2 1 214.378 1.564 20 0 BDADMP CCC[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877742893 590408477 /nfs/dbraw/zinc/40/84/77/590408477.db2.gz SCKPSIMGAVWZIX-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000877742893 590408478 /nfs/dbraw/zinc/40/84/78/590408478.db2.gz SCKPSIMGAVWZIX-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000877742893 590408479 /nfs/dbraw/zinc/40/84/79/590408479.db2.gz SCKPSIMGAVWZIX-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)n1C ZINC000877743793 590410342 /nfs/dbraw/zinc/41/03/42/590410342.db2.gz YJVMZFBAWYQTJC-JSGCOSHPSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)n1C ZINC000877743793 590410346 /nfs/dbraw/zinc/41/03/46/590410346.db2.gz YJVMZFBAWYQTJC-JSGCOSHPSA-N 2 1 248.374 1.255 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCSC3)CC[C@@H]21 ZINC000877743874 590411559 /nfs/dbraw/zinc/41/15/59/590411559.db2.gz YRUNOKSTOOLJES-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCSC3)CC[C@@H]21 ZINC000877743874 590411553 /nfs/dbraw/zinc/41/15/53/590411553.db2.gz YRUNOKSTOOLJES-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCSC3)CC[C@@H]21 ZINC000877743874 590411554 /nfs/dbraw/zinc/41/15/54/590411554.db2.gz YRUNOKSTOOLJES-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCSC3)CC[C@@H]21 ZINC000877743874 590411557 /nfs/dbraw/zinc/41/15/57/590411557.db2.gz YRUNOKSTOOLJES-UPJWGTAASA-N 2 1 240.416 1.766 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000878162260 590511762 /nfs/dbraw/zinc/51/17/62/590511762.db2.gz CQCPQFCDAJBIKO-IGQOVBAYSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000878162260 590511764 /nfs/dbraw/zinc/51/17/64/590511764.db2.gz CQCPQFCDAJBIKO-IGQOVBAYSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000878162260 590511765 /nfs/dbraw/zinc/51/17/65/590511765.db2.gz CQCPQFCDAJBIKO-IGQOVBAYSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000878162260 590511767 /nfs/dbraw/zinc/51/17/67/590511767.db2.gz CQCPQFCDAJBIKO-IGQOVBAYSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000878162260 590511769 /nfs/dbraw/zinc/51/17/69/590511769.db2.gz CQCPQFCDAJBIKO-IGQOVBAYSA-N 2 1 240.391 1.826 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccccn3)CC[C@H]21 ZINC000879570068 590806695 /nfs/dbraw/zinc/80/66/95/590806695.db2.gz WZVGWYUUZXSQCB-UKRRQHHQSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccn3)CC[C@H]21 ZINC000879570068 590806697 /nfs/dbraw/zinc/80/66/97/590806697.db2.gz WZVGWYUUZXSQCB-UKRRQHHQSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccn3)CC[C@H]21 ZINC000879570068 590806701 /nfs/dbraw/zinc/80/67/01/590806701.db2.gz WZVGWYUUZXSQCB-UKRRQHHQSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccn3)CC[C@H]21 ZINC000879570068 590806706 /nfs/dbraw/zinc/80/67/06/590806706.db2.gz WZVGWYUUZXSQCB-UKRRQHHQSA-N 2 1 245.370 1.650 20 0 BDADMP CC(C)C[N@@H+](C[C@@H](C)O)CC1CC[NH+](C)CC1 ZINC000879703669 590852238 /nfs/dbraw/zinc/85/22/38/590852238.db2.gz SKGMYDNEMQMIGP-CYBMUJFWSA-N 2 1 242.407 1.667 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CC1(C)COC1 ZINC000880130033 590931317 /nfs/dbraw/zinc/93/13/17/590931317.db2.gz BSDAQRQNMLXTCM-VXGBXAGGSA-N 2 1 224.348 1.191 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000128218092 590934303 /nfs/dbraw/zinc/93/43/03/590934303.db2.gz QCFIWQOXKNHPGH-RFQIPJPRSA-N 2 1 246.354 1.880 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC000880131854 590934345 /nfs/dbraw/zinc/93/43/45/590934345.db2.gz KASMABALDIFZNC-KBPBESRZSA-N 2 1 231.343 1.750 20 0 BDADMP COCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261581 590979865 /nfs/dbraw/zinc/97/98/65/590979865.db2.gz XDIIAJRKJLAXCC-ZDUSSCGKSA-N 2 1 249.358 1.629 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC000880441645 591044155 /nfs/dbraw/zinc/04/41/55/591044155.db2.gz ANVGZVRCIIQIEO-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)CC[C@@H]1CO ZINC000880441645 591044159 /nfs/dbraw/zinc/04/41/59/591044159.db2.gz ANVGZVRCIIQIEO-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H](CO)C1CC1 ZINC000883002682 591504601 /nfs/dbraw/zinc/50/46/01/591504601.db2.gz MCURLWQGXUYOKE-LBPRGKRZSA-N 2 1 235.331 1.008 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2N)C1 ZINC000883028477 591520123 /nfs/dbraw/zinc/52/01/23/591520123.db2.gz LNVKJTGXTXPCEU-QWHCGFSZSA-N 2 1 248.374 1.626 20 0 BDADMP C=C/C=C/CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000883436779 591666404 /nfs/dbraw/zinc/66/64/04/591666404.db2.gz AMXFECQMTDXBAL-HORCIZIBSA-N 2 1 206.333 1.932 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000883442055 591669754 /nfs/dbraw/zinc/66/97/54/591669754.db2.gz DFZMXMXYTNGMRV-MNOVXSKESA-N 2 1 239.750 1.950 20 0 BDADMP Cn1c2ccccc2[nH+]c1NC[C@@H]1CC[NH2+]C1 ZINC000133785264 591857306 /nfs/dbraw/zinc/85/73/06/591857306.db2.gz ZPMDJOGMRVAANZ-SNVBAGLBSA-N 2 1 230.315 1.595 20 0 BDADMP CC[N@@H+]1CC[C@H](CNCc2n[nH]c(C)c2C)C1 ZINC000885924816 592108402 /nfs/dbraw/zinc/10/84/02/592108402.db2.gz VIQORUIBVQEMRH-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@H+]1CC[C@H](CNCc2n[nH]c(C)c2C)C1 ZINC000885924816 592108405 /nfs/dbraw/zinc/10/84/05/592108405.db2.gz VIQORUIBVQEMRH-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2[nH]nc(C)c2C)C1 ZINC000885924816 592108408 /nfs/dbraw/zinc/10/84/08/592108408.db2.gz VIQORUIBVQEMRH-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2[nH]nc(C)c2C)C1 ZINC000885924816 592108409 /nfs/dbraw/zinc/10/84/09/592108409.db2.gz VIQORUIBVQEMRH-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP C(=C\C[N@H+]1C[C@@H]2C[C@@H]2C1)\C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886345197 592213097 /nfs/dbraw/zinc/21/30/97/592213097.db2.gz UNBVVPDDALPJSF-ZWTHYHLESA-N 2 1 218.344 1.446 20 0 BDADMP COCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662268 592294644 /nfs/dbraw/zinc/29/46/44/592294644.db2.gz AITSQYKCEGFKFV-UHFFFAOYSA-N 2 1 237.347 1.852 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819855 592344186 /nfs/dbraw/zinc/34/41/86/592344186.db2.gz YCGMYLVXWLMQRV-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819855 592344192 /nfs/dbraw/zinc/34/41/92/592344192.db2.gz YCGMYLVXWLMQRV-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886830521 592351455 /nfs/dbraw/zinc/35/14/55/592351455.db2.gz SOKYUUPGAYIJQU-AVGNSLFASA-N 2 1 226.364 1.376 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827711 592351990 /nfs/dbraw/zinc/35/19/90/592351990.db2.gz QDPZCHJJXNODFX-IHRRRGAJSA-N 2 1 238.375 1.344 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886830502 592352648 /nfs/dbraw/zinc/35/26/48/592352648.db2.gz RSBXBIAZUVOMSC-AGIUHOORSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886838123 592355510 /nfs/dbraw/zinc/35/55/10/592355510.db2.gz RJJUCFFHOYPPKZ-XQQFMLRXSA-N 2 1 224.348 1.084 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1[NH3+] ZINC000886837322 592358122 /nfs/dbraw/zinc/35/81/22/592358122.db2.gz FCYAUPCVXIOWLR-XJFOESAGSA-N 2 1 238.375 1.472 20 0 BDADMP N[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC[C@H]1F ZINC000886841161 592361280 /nfs/dbraw/zinc/36/12/80/592361280.db2.gz DISJWWMMZQRQCC-UMSGYPCISA-N 2 1 242.338 1.315 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872231 592378108 /nfs/dbraw/zinc/37/81/08/592378108.db2.gz NDRCXIIROMPVGA-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP COC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132860 592448694 /nfs/dbraw/zinc/44/86/94/592448694.db2.gz OTEFBLZVQZEAIV-CHWSQXEVSA-N 2 1 249.358 1.627 20 0 BDADMP CO[C@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134459 592449552 /nfs/dbraw/zinc/44/95/52/592449552.db2.gz KAXHYOGAJARLKV-CHWSQXEVSA-N 2 1 249.358 1.627 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887351401 592485593 /nfs/dbraw/zinc/48/55/93/592485593.db2.gz OESXMJDZDGRWBZ-SECBINFHSA-N 2 1 248.321 1.096 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCCCO)CC[C@H]1[NH3+] ZINC000300333965 592507096 /nfs/dbraw/zinc/50/70/96/592507096.db2.gz VCHLNCUGOOMGCH-CHWSQXEVSA-N 2 1 228.380 1.598 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](C)CO1 ZINC000223223014 592522413 /nfs/dbraw/zinc/52/24/13/592522413.db2.gz ZNXHJOOTSDQJRU-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000925704915 634385376 /nfs/dbraw/zinc/38/53/76/634385376.db2.gz IJTWOSULIQQXOO-FDYHWXHSSA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246027123 987326680 /nfs/dbraw/zinc/32/66/80/987326680.db2.gz WZGVOGUAUIJROI-GRYCIOLGSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246027123 987326694 /nfs/dbraw/zinc/32/66/94/987326694.db2.gz WZGVOGUAUIJROI-GRYCIOLGSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1(F)F ZINC000925707369 634390486 /nfs/dbraw/zinc/39/04/86/634390486.db2.gz IATMYEGCETUCKL-PSASIEDQSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925710597 634407763 /nfs/dbraw/zinc/40/77/63/634407763.db2.gz QHLULAHMINSWSZ-DYEKYZERSA-N 3 1 235.375 1.792 20 0 BDADMP C[C@H](CCC[NH3+])N[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925710597 634407764 /nfs/dbraw/zinc/40/77/64/634407764.db2.gz QHLULAHMINSWSZ-DYEKYZERSA-N 2 1 235.375 1.792 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)O1 ZINC000925710590 634408632 /nfs/dbraw/zinc/40/86/32/634408632.db2.gz QDUWIABUJIWACL-JHJVBQTASA-N 2 1 238.375 1.818 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313009964 634441932 /nfs/dbraw/zinc/44/19/32/634441932.db2.gz SZRFUBPNDZCFPW-STQMWFEESA-N 2 1 240.391 1.731 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313140428 634453908 /nfs/dbraw/zinc/45/39/08/634453908.db2.gz QKWPVRNTPZZPLO-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000257708509 634477952 /nfs/dbraw/zinc/47/79/52/634477952.db2.gz NEAXZHIDEMPHGG-RYUDHWBXSA-N 2 1 219.332 1.813 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257731719 634485661 /nfs/dbraw/zinc/48/56/61/634485661.db2.gz XHAZDQVFOVRNOO-KBPBESRZSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)C1CC[NH2+]CC1 ZINC000925728253 634527883 /nfs/dbraw/zinc/52/78/83/634527883.db2.gz KFAALEJMKGBONB-RAIGVLPGSA-N 2 1 237.391 1.234 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000253198900 634531739 /nfs/dbraw/zinc/53/17/39/634531739.db2.gz BBHURMWWUXPILH-WCQYABFASA-N 2 1 226.364 1.330 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000310112118 634539623 /nfs/dbraw/zinc/53/96/23/634539623.db2.gz ATLNQEFCEUBUQM-KWCYVHTRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000925730336 634556780 /nfs/dbraw/zinc/55/67/80/634556780.db2.gz FENXEABNHOXQMS-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP FC1(F)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000258952162 635226711 /nfs/dbraw/zinc/22/67/11/635226711.db2.gz SJSLAMULDYAXOA-JTQLQIEISA-N 2 1 218.291 1.717 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000398643346 634608758 /nfs/dbraw/zinc/60/87/58/634608758.db2.gz YRASFKVLVIFAAG-MCIONIFRSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000398643346 634608761 /nfs/dbraw/zinc/60/87/61/634608761.db2.gz YRASFKVLVIFAAG-MCIONIFRSA-N 2 1 240.391 1.754 20 0 BDADMP COC1(C[N@H+]2CCC[C@H](C[NH3+])C2)CCCC1 ZINC000319191609 635501417 /nfs/dbraw/zinc/50/14/17/635501417.db2.gz OSIUJWBHIQQZHY-GFCCVEGCSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=O)CCCCCC[NH3+] ZINC000054133545 635609897 /nfs/dbraw/zinc/60/98/97/635609897.db2.gz NGDDJQPYIKMCIW-UHFFFAOYSA-N 2 1 243.395 1.352 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933385515 631349610 /nfs/dbraw/zinc/34/96/10/631349610.db2.gz IISNVEYVCZEKKF-GXTWGEPZSA-N 2 1 247.342 1.493 20 0 BDADMP CCCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000308726497 631554522 /nfs/dbraw/zinc/55/45/22/631554522.db2.gz LTRJLBFAPWELSB-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP COc1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000258964197 631692672 /nfs/dbraw/zinc/69/26/72/631692672.db2.gz AYZVGZXOQJTOLD-UHFFFAOYSA-N 2 1 206.289 1.276 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C ZINC000309046499 631823890 /nfs/dbraw/zinc/82/38/90/631823890.db2.gz OZHSLILVBNRUOB-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C ZINC000309046499 631823892 /nfs/dbraw/zinc/82/38/92/631823892.db2.gz OZHSLILVBNRUOB-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000250558182 635699147 /nfs/dbraw/zinc/69/91/47/635699147.db2.gz BRYMXAAMAAUUIW-MCIONIFRSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000250558182 635699149 /nfs/dbraw/zinc/69/91/49/635699149.db2.gz BRYMXAAMAAUUIW-MCIONIFRSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000250558182 635699150 /nfs/dbraw/zinc/69/91/50/635699150.db2.gz BRYMXAAMAAUUIW-MCIONIFRSA-N 2 1 238.375 1.173 20 0 BDADMP O[C@H](CC1CCCC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232148658 632126930 /nfs/dbraw/zinc/12/69/30/632126930.db2.gz XGNGCFXZDFTOEX-HZSPNIEDSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]CC(C)(C)c1ccccc1 ZINC000162060076 632505856 /nfs/dbraw/zinc/50/58/56/632505856.db2.gz OPARSVWHASGLLT-NSHDSACASA-N 2 1 206.333 1.901 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000081066143 632626831 /nfs/dbraw/zinc/62/68/31/632626831.db2.gz LQJPUJSOSAMYRN-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CC[N@H+]1CCCN(c2nccn3cncc23)CC1 ZINC000892425754 632684199 /nfs/dbraw/zinc/68/41/99/632684199.db2.gz PDNOAOAOEJDAHT-UHFFFAOYSA-N 2 1 245.330 1.261 20 0 BDADMP C[C@H]([N@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000309984023 632689780 /nfs/dbraw/zinc/68/97/80/632689780.db2.gz ZGGAWFATQDOPIU-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]([N@@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000309984023 632689786 /nfs/dbraw/zinc/68/97/86/632689786.db2.gz ZGGAWFATQDOPIU-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2cccs2)C1 ZINC000235707319 632818517 /nfs/dbraw/zinc/81/85/17/632818517.db2.gz RKMORSVJYPDIEO-GFCCVEGCSA-N 2 1 224.373 1.961 20 0 BDADMP Cc1cc(N)nc(N(C)C[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000892554815 632966431 /nfs/dbraw/zinc/96/64/31/632966431.db2.gz MURWLMOQOJXDIS-LLVKDONJSA-N 2 1 249.362 1.145 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000249962895 633013439 /nfs/dbraw/zinc/01/34/39/633013439.db2.gz DQRRMQIZWMGART-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H](C)CCCCO)C(C)C ZINC000309439545 633072355 /nfs/dbraw/zinc/07/23/55/633072355.db2.gz ICWDKIURISDJDW-ZDUSSCGKSA-N 2 1 230.396 1.857 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H](C)CCCCO)C(C)C ZINC000309439545 633072359 /nfs/dbraw/zinc/07/23/59/633072359.db2.gz ICWDKIURISDJDW-ZDUSSCGKSA-N 2 1 230.396 1.857 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]cc2CO)C1 ZINC000892730802 633205472 /nfs/dbraw/zinc/20/54/72/633205472.db2.gz KKIYIHBAAXWVFZ-GFCCVEGCSA-N 2 1 249.358 1.352 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CCCOCc1ccccc1 ZINC000306399040 635964917 /nfs/dbraw/zinc/96/49/17/635964917.db2.gz LVTJDBSQGBIYJI-CYBMUJFWSA-N 2 1 236.359 1.872 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCOCc1ccccc1 ZINC000306399040 635964920 /nfs/dbraw/zinc/96/49/20/635964920.db2.gz LVTJDBSQGBIYJI-CYBMUJFWSA-N 2 1 236.359 1.872 20 0 BDADMP C[C@H]1[C@H](CO)CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894939428 636010539 /nfs/dbraw/zinc/01/05/39/636010539.db2.gz KOCNALOUFCNCJE-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1CC2(CCC2)C1 ZINC000309518651 633941847 /nfs/dbraw/zinc/94/18/47/633941847.db2.gz SOKWNZNNHKVOLE-UHFFFAOYSA-N 2 1 219.332 1.885 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccncc1 ZINC000925541083 633954821 /nfs/dbraw/zinc/95/48/21/633954821.db2.gz HHMKQDTXXXVCPR-YRGRVCCFSA-N 2 1 233.359 1.915 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cn[nH]c2)C1 ZINC000309953705 633975209 /nfs/dbraw/zinc/97/52/09/633975209.db2.gz HHRUOYVZBOIBPN-NEPJUHHUSA-N 2 1 222.336 1.372 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000309955506 633978741 /nfs/dbraw/zinc/97/87/41/633978741.db2.gz IBIHXAOATKLVJS-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000925555171 634023138 /nfs/dbraw/zinc/02/31/38/634023138.db2.gz FRPPXAHRGHPNDL-MJBXVCDLSA-N 2 1 249.402 1.330 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982834 634025644 /nfs/dbraw/zinc/02/56/44/634025644.db2.gz ADCSSJBCUMGZCA-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]([NH3+])[C@@H](NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000925563042 634045131 /nfs/dbraw/zinc/04/51/31/634045131.db2.gz AACJZCUQYCLISH-AEGPPILISA-N 2 1 247.386 1.759 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925565756 634059801 /nfs/dbraw/zinc/05/98/01/634059801.db2.gz XSXYQKCQQUIVHM-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CCSC1 ZINC000925574960 634073533 /nfs/dbraw/zinc/07/35/33/634073533.db2.gz XDECCWMMYGGYRS-QWRGUYRKSA-N 2 1 226.389 1.756 20 0 BDADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925606481 634135140 /nfs/dbraw/zinc/13/51/40/634135140.db2.gz WLKQPLYZBDFJMF-MQYQWHSLSA-N 2 1 240.391 1.778 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccco1 ZINC000925609333 634146482 /nfs/dbraw/zinc/14/64/82/634146482.db2.gz AAIXWTUCRKDKIZ-NSHDSACASA-N 2 1 208.305 1.552 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925613444 634151978 /nfs/dbraw/zinc/15/19/78/634151978.db2.gz RBVSTKSDFLMGSQ-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CN(C[C@@H]1CCC[N@H+]1C)C[C@]1(C)CCC[NH2+]C1 ZINC000092633415 634198748 /nfs/dbraw/zinc/19/87/48/634198748.db2.gz JWXFMNCSCJZUAF-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)CCCCCCC[NH3+] ZINC000092633378 634199793 /nfs/dbraw/zinc/19/97/93/634199793.db2.gz RGFRIVPQOYXXPD-CQSZACIVSA-N 2 1 241.423 1.922 20 0 BDADMP CN(CCCCCCC[NH3+])C[C@H]1CCC[N@@H+]1C ZINC000092633378 634199800 /nfs/dbraw/zinc/19/98/00/634199800.db2.gz RGFRIVPQOYXXPD-CQSZACIVSA-N 2 1 241.423 1.922 20 0 BDADMP CN(CCCCCCC[NH3+])C[C@H]1CCC[N@H+]1C ZINC000092633378 634199807 /nfs/dbraw/zinc/19/98/07/634199807.db2.gz RGFRIVPQOYXXPD-CQSZACIVSA-N 2 1 241.423 1.922 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925645931 634200384 /nfs/dbraw/zinc/20/03/84/634200384.db2.gz RROXHJRMIPKJPL-QWRGUYRKSA-N 2 1 212.337 1.286 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925678846 634273485 /nfs/dbraw/zinc/27/34/85/634273485.db2.gz XOVLUOKNWMYLJR-QWHCGFSZSA-N 2 1 249.358 1.905 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925678543 634274231 /nfs/dbraw/zinc/27/42/31/634274231.db2.gz FRWQTWXQQKFBBD-NWDGAFQWSA-N 2 1 226.364 1.676 20 0 BDADMP CC(F)(F)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925681669 634279875 /nfs/dbraw/zinc/27/98/75/634279875.db2.gz WPFFSCFMCARSKO-SECBINFHSA-N 2 1 218.291 1.906 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](CC3CC3)C[C@@]2(C)C1 ZINC000931312846 634329551 /nfs/dbraw/zinc/32/95/51/634329551.db2.gz ZDCGJAFUITVLLN-CHWSQXEVSA-N 2 1 208.349 1.670 20 0 BDADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925698196 634362722 /nfs/dbraw/zinc/36/27/22/634362722.db2.gz JJUFPDBWUHLAKX-UTUOFQBUSA-N 3 1 225.380 1.092 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925697993 634362832 /nfs/dbraw/zinc/36/28/32/634362832.db2.gz BSGBBRGRXHBLMI-UTUOFQBUSA-N 2 1 225.380 1.363 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1)[NH2+]2 ZINC000925699258 634367023 /nfs/dbraw/zinc/36/70/23/634367023.db2.gz JRICZIUBGQLBKF-HTOAHKCRSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1)[NH2+]2 ZINC000925699260 634367060 /nfs/dbraw/zinc/36/70/60/634367060.db2.gz JRICZIUBGQLBKF-RGDJUOJXSA-N 3 1 237.391 1.247 20 0 BDADMP CC1(C)C[C@@H](N[C@@H]2CCC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925700227 634370107 /nfs/dbraw/zinc/37/01/07/634370107.db2.gz NVVFQLCPDCOBOY-UPJWGTAASA-N 2 1 239.407 1.624 20 0 BDADMP CC1(C)C[C@@H](NCC(F)(F)C[NH3+])C[C@@H]([NH3+])C1 ZINC000925700866 634372368 /nfs/dbraw/zinc/37/23/68/634372368.db2.gz XCTUDMVSQOCTQT-BDAKNGLRSA-N 2 1 235.322 1.076 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925772897 635216150 /nfs/dbraw/zinc/21/61/50/635216150.db2.gz LEQLUUZFYDNRHQ-RWMBFGLXSA-N 2 1 238.375 1.676 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126163124 635663822 /nfs/dbraw/zinc/66/38/22/635663822.db2.gz MUXKWILSYUJOHU-TXEJJXNPSA-N 2 1 208.349 1.860 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054242795 636240546 /nfs/dbraw/zinc/24/05/46/636240546.db2.gz CYEHGKGZCKPKMN-CQSZACIVSA-N 3 1 239.407 1.260 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCCC2)C1 ZINC000310534495 636265106 /nfs/dbraw/zinc/26/51/06/636265106.db2.gz OWJZLTFABNWUGV-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCCC2)C1 ZINC000310534495 636265117 /nfs/dbraw/zinc/26/51/17/636265117.db2.gz OWJZLTFABNWUGV-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000310534495 636265122 /nfs/dbraw/zinc/26/51/22/636265122.db2.gz OWJZLTFABNWUGV-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC2(CCCC2)C1 ZINC000310534495 636265131 /nfs/dbraw/zinc/26/51/31/636265131.db2.gz OWJZLTFABNWUGV-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052042175 636669747 /nfs/dbraw/zinc/66/97/47/636669747.db2.gz MOBUMPMRIMQJCU-NSHDSACASA-N 2 1 238.379 1.241 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CCC12CCC2)C[NH+](C)C ZINC000926957434 636971259 /nfs/dbraw/zinc/97/12/59/636971259.db2.gz BNRRXJWALXPORU-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924705749 637013782 /nfs/dbraw/zinc/01/37/82/637013782.db2.gz MIJRMOABVUSCGC-RQJABVFESA-N 2 1 240.391 1.589 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000924705750 637013847 /nfs/dbraw/zinc/01/38/47/637013847.db2.gz MIJRMOABVUSCGC-RWMBFGLXSA-N 2 1 240.391 1.589 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCn1cccn1 ZINC000054602940 637036037 /nfs/dbraw/zinc/03/60/37/637036037.db2.gz SFKXMDCNSHGIKL-YHWZYXNKSA-N 2 1 234.347 1.227 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1cccn1 ZINC000054602940 637036041 /nfs/dbraw/zinc/03/60/41/637036041.db2.gz SFKXMDCNSHGIKL-YHWZYXNKSA-N 2 1 234.347 1.227 20 0 BDADMP [NH3+]CCCCCC[NH+]1CCN(CC2CC2)CC1 ZINC000042491264 637273750 /nfs/dbraw/zinc/27/37/50/637273750.db2.gz VAGORPPDNOMFLR-UHFFFAOYSA-N 2 1 239.407 1.533 20 0 BDADMP CCCSC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000903093082 637343260 /nfs/dbraw/zinc/34/32/60/637343260.db2.gz PJMSEVJTYVJIJB-MNOVXSKESA-N 2 1 234.409 1.030 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722254 637378576 /nfs/dbraw/zinc/37/85/76/637378576.db2.gz JQIMQDAYDAXIOC-MJBXVCDLSA-N 2 1 240.391 1.731 20 0 BDADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC[NH2+]C1 ZINC000903722476 637380500 /nfs/dbraw/zinc/38/05/00/637380500.db2.gz BFJJXKXKFUWALB-ICIURTGMSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](Cc1cccc(=O)[nH]1)C[C@H]1CCCC[NH2+]C1 ZINC000903788311 637381661 /nfs/dbraw/zinc/38/16/61/637381661.db2.gz IHERUFHINYZEOD-LBPRGKRZSA-N 2 1 249.358 1.609 20 0 BDADMP C[N@H+](Cc1cccc(=O)[nH]1)C[C@H]1CCCC[NH2+]C1 ZINC000903788311 637381672 /nfs/dbraw/zinc/38/16/72/637381672.db2.gz IHERUFHINYZEOD-LBPRGKRZSA-N 2 1 249.358 1.609 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000903789451 637383627 /nfs/dbraw/zinc/38/36/27/637383627.db2.gz XIQYUJPLCIVBQN-HZSPNIEDSA-N 3 1 239.407 1.293 20 0 BDADMP [NH3+]C1(C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000904443512 637410347 /nfs/dbraw/zinc/41/03/47/637410347.db2.gz KAUQITHMAABHTJ-UHFFFAOYSA-N 2 1 202.301 1.235 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@@H]([NH3+])CC2CC2)n1 ZINC000905305884 637764409 /nfs/dbraw/zinc/76/44/09/637764409.db2.gz YSULRDSHQYOZDH-CBAPKCEASA-N 2 1 224.308 1.020 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21)C1CC1 ZINC000905667954 637876849 /nfs/dbraw/zinc/87/68/49/637876849.db2.gz SNJUCPZBWSMEJJ-RUZUBIRVSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21)C1CC1 ZINC000905667954 637876854 /nfs/dbraw/zinc/87/68/54/637876854.db2.gz SNJUCPZBWSMEJJ-RUZUBIRVSA-N 2 1 238.375 1.220 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C[C@@](C)(O)C(F)F ZINC000905870268 637957084 /nfs/dbraw/zinc/95/70/84/637957084.db2.gz GNXMQRYQVVXBAI-LLVKDONJSA-N 2 1 238.322 1.324 20 0 BDADMP COc1ccsc1C[NH2+]C1CC([NH3+])C1 ZINC000906511199 638183032 /nfs/dbraw/zinc/18/30/32/638183032.db2.gz XZOMPUSDSMPUMU-UHFFFAOYSA-N 2 1 212.318 1.336 20 0 BDADMP CCC(N)=[NH+]OCC[C@@H]1CCCC[N@H+]1C ZINC000906498383 638174336 /nfs/dbraw/zinc/17/43/36/638174336.db2.gz ABVIYYFSFCQERK-JTQLQIEISA-N 2 1 213.325 1.769 20 0 BDADMP CC(C)Cc1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 ZINC000906517308 638187561 /nfs/dbraw/zinc/18/75/61/638187561.db2.gz MGUQEWHQFXQZTE-MGCOHNPYSA-N 2 1 239.388 1.921 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931277344 640130466 /nfs/dbraw/zinc/13/04/66/640130466.db2.gz JPDJUKBOERBJOS-MEBFFEOJSA-N 2 1 238.375 1.293 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCO1 ZINC000931277344 640130472 /nfs/dbraw/zinc/13/04/72/640130472.db2.gz JPDJUKBOERBJOS-MEBFFEOJSA-N 2 1 238.375 1.293 20 0 BDADMP CO[C@H]1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277986 640131060 /nfs/dbraw/zinc/13/10/60/640131060.db2.gz UYURRTXQHCBOEH-JZRPKSSGSA-N 2 1 224.348 1.046 20 0 BDADMP CO[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277986 640131066 /nfs/dbraw/zinc/13/10/66/640131066.db2.gz UYURRTXQHCBOEH-JZRPKSSGSA-N 2 1 224.348 1.046 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C1CCC1 ZINC000931281654 640134795 /nfs/dbraw/zinc/13/47/95/640134795.db2.gz VXJLCJFLFFAKPY-RQJABVFESA-N 2 1 238.375 1.293 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C1CCC1 ZINC000931281654 640134800 /nfs/dbraw/zinc/13/48/00/640134800.db2.gz VXJLCJFLFFAKPY-RQJABVFESA-N 2 1 238.375 1.293 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]21 ZINC000931281070 640135440 /nfs/dbraw/zinc/13/54/40/640135440.db2.gz NFJWBIAMHDAZDN-IGQOVBAYSA-N 2 1 238.375 1.295 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]21 ZINC000931281070 640135445 /nfs/dbraw/zinc/13/54/45/640135445.db2.gz NFJWBIAMHDAZDN-IGQOVBAYSA-N 2 1 238.375 1.295 20 0 BDADMP COCC[C@H](C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931306583 640143585 /nfs/dbraw/zinc/14/35/85/640143585.db2.gz BGBJCIUVIXMAES-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP COCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931348931 640164695 /nfs/dbraw/zinc/16/46/95/640164695.db2.gz OUOWGCBKAGDIGC-UHFFFAOYSA-N 2 1 200.326 1.049 20 0 BDADMP Cc1nccnc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931441367 640209050 /nfs/dbraw/zinc/20/90/50/640209050.db2.gz GTRZOCNGWKVFHR-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1nccnc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931441367 640209060 /nfs/dbraw/zinc/20/90/60/640209060.db2.gz GTRZOCNGWKVFHR-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931441367 640209064 /nfs/dbraw/zinc/20/90/64/640209064.db2.gz GTRZOCNGWKVFHR-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1nccnc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931441367 640209066 /nfs/dbraw/zinc/20/90/66/640209066.db2.gz GTRZOCNGWKVFHR-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CC[NH+]3CCCC3)CC[C@@H]21 ZINC000931548268 640266811 /nfs/dbraw/zinc/26/68/11/640266811.db2.gz XIRXQWCKUWKYHG-KGLIPLIRSA-N 2 1 237.391 1.108 20 0 BDADMP CC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151194618 640329326 /nfs/dbraw/zinc/32/93/26/640329326.db2.gz ZFGRYDWUGYXKPL-UHFFFAOYSA-N 2 1 233.315 1.183 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717858 640335367 /nfs/dbraw/zinc/33/53/67/640335367.db2.gz DYTLSECSQDBEBE-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000931724887 640340203 /nfs/dbraw/zinc/34/02/03/640340203.db2.gz KFJSNLUOBBHNSW-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1cccc(=O)[nH]1 ZINC000933398911 640712806 /nfs/dbraw/zinc/71/28/06/640712806.db2.gz NYTGBZHTDGEYKP-CYBMUJFWSA-N 2 1 249.358 1.703 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000226315193 640748563 /nfs/dbraw/zinc/74/85/63/640748563.db2.gz FEDGTEOJABDKGX-DTWKUNHWSA-N 2 1 240.269 1.113 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000226315193 640748570 /nfs/dbraw/zinc/74/85/70/640748570.db2.gz FEDGTEOJABDKGX-DTWKUNHWSA-N 2 1 240.269 1.113 20 0 BDADMP CO[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734493 640753563 /nfs/dbraw/zinc/75/35/63/640753563.db2.gz UGGXATAVBLLIHV-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734493 640753571 /nfs/dbraw/zinc/75/35/71/640753571.db2.gz UGGXATAVBLLIHV-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000933734493 640753576 /nfs/dbraw/zinc/75/35/76/640753576.db2.gz UGGXATAVBLLIHV-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000933734493 640753583 /nfs/dbraw/zinc/75/35/83/640753583.db2.gz UGGXATAVBLLIHV-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@]2(C)C1 ZINC000933732880 640754262 /nfs/dbraw/zinc/75/42/62/640754262.db2.gz DATFVKJADMQRLR-NEPJUHHUSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@]2(C)C1 ZINC000933732880 640754265 /nfs/dbraw/zinc/75/42/65/640754265.db2.gz DATFVKJADMQRLR-NEPJUHHUSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@]2(C)C1 ZINC000933732880 640754269 /nfs/dbraw/zinc/75/42/69/640754269.db2.gz DATFVKJADMQRLR-NEPJUHHUSA-N 2 1 244.329 1.915 20 0 BDADMP CSCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933736178 640756051 /nfs/dbraw/zinc/75/60/51/640756051.db2.gz RMXAJKUSJUENRT-WDEREUQCSA-N 2 1 214.378 1.233 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933736178 640756054 /nfs/dbraw/zinc/75/60/54/640756054.db2.gz RMXAJKUSJUENRT-WDEREUQCSA-N 2 1 214.378 1.233 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933736178 640756057 /nfs/dbraw/zinc/75/60/57/640756057.db2.gz RMXAJKUSJUENRT-WDEREUQCSA-N 2 1 214.378 1.233 20 0 BDADMP C(C[C@H]1CCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226829574 640800191 /nfs/dbraw/zinc/80/01/91/640800191.db2.gz XSNCLKOMIIAARE-MGPQQGTHSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000227212008 640821116 /nfs/dbraw/zinc/82/11/16/640821116.db2.gz RCJMYMRMARDSKV-MRVWCRGKSA-N 2 1 234.343 1.389 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCCCCO)C[C@@H]21 ZINC000230048655 641011929 /nfs/dbraw/zinc/01/19/29/641011929.db2.gz NAGTYEZEGSWHHS-MELADBBJSA-N 2 1 240.391 1.598 20 0 BDADMP CC[NH+](CC)CCNc1cc(NC)[nH+]cn1 ZINC000087807643 641050236 /nfs/dbraw/zinc/05/02/36/641050236.db2.gz XPTVCTPDZBYBOT-UHFFFAOYSA-N 2 1 223.324 1.272 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000934119610 641082516 /nfs/dbraw/zinc/08/25/16/641082516.db2.gz XSUPHLNALRFLKJ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000934337540 641128605 /nfs/dbraw/zinc/12/86/05/641128605.db2.gz KJWPWVGIKHERAK-YUTCNCBUSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000934337540 641128612 /nfs/dbraw/zinc/12/86/12/641128612.db2.gz KJWPWVGIKHERAK-YUTCNCBUSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000934337540 641128615 /nfs/dbraw/zinc/12/86/15/641128615.db2.gz KJWPWVGIKHERAK-YUTCNCBUSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21)C1CC1 ZINC000934337540 641128619 /nfs/dbraw/zinc/12/86/19/641128619.db2.gz KJWPWVGIKHERAK-YUTCNCBUSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](CCCCCO)CC1CC[NH+](C)CC1 ZINC000063121330 641134521 /nfs/dbraw/zinc/13/45/21/641134521.db2.gz ACAZSKMFTAKEMK-UHFFFAOYSA-N 2 1 228.380 1.423 20 0 BDADMP Cn1cc(CC[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000231669699 641191224 /nfs/dbraw/zinc/19/12/24/641191224.db2.gz FMAFRVBZBRZUQA-ZDUSSCGKSA-N 2 1 236.363 1.037 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)O1 ZINC000232047989 641232773 /nfs/dbraw/zinc/23/27/73/641232773.db2.gz DFADWCSFRGRWNB-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148405 641250544 /nfs/dbraw/zinc/25/05/44/641250544.db2.gz JMZAMOFSPQOQHK-KBPBESRZSA-N 2 1 240.391 1.598 20 0 BDADMP C([NH2+]C[C@H]1CCCC[NH2+]1)[C@H]1CCCOC1 ZINC000232452158 641274168 /nfs/dbraw/zinc/27/41/68/641274168.db2.gz PFCIOJIGUTVZLG-VXGBXAGGSA-N 2 1 212.337 1.145 20 0 BDADMP COC/C(C)=C/C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000929698912 641405997 /nfs/dbraw/zinc/40/59/97/641405997.db2.gz BXLMPCPKKIIWLX-WTWVRAIASA-N 2 1 240.391 1.853 20 0 BDADMP COC/C(C)=C/C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000929698912 641406000 /nfs/dbraw/zinc/40/60/00/641406000.db2.gz BXLMPCPKKIIWLX-WTWVRAIASA-N 2 1 240.391 1.853 20 0 BDADMP COC/C(C)=C/C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929698912 641406002 /nfs/dbraw/zinc/40/60/02/641406002.db2.gz BXLMPCPKKIIWLX-WTWVRAIASA-N 2 1 240.391 1.853 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCSC1 ZINC000261528032 641427925 /nfs/dbraw/zinc/42/79/25/641427925.db2.gz IXLJKJWLZKRZTF-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP Cn1cc(C[N@@H+](C)CCCCCCC[NH3+])cn1 ZINC000042489414 641554572 /nfs/dbraw/zinc/55/45/72/641554572.db2.gz YGVBRUIEJXSHSJ-UHFFFAOYSA-N 2 1 238.379 1.761 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000723122566 711506116 /nfs/dbraw/zinc/50/61/16/711506116.db2.gz QSQFDQZFABLETF-QNWHQSFQSA-N 2 1 210.365 1.949 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH+](C)CC(OC)OC)[C@H](C)C1 ZINC000189114962 641786552 /nfs/dbraw/zinc/78/65/52/641786552.db2.gz ABXPBXWGVYYDLN-NEPJUHHUSA-N 2 1 244.379 1.267 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC(OC)OC)[C@H](C)C1 ZINC000189114962 641786557 /nfs/dbraw/zinc/78/65/57/641786557.db2.gz ABXPBXWGVYYDLN-NEPJUHHUSA-N 2 1 244.379 1.267 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC(OC)OC)[C@H](C)C1 ZINC000189114962 641786567 /nfs/dbraw/zinc/78/65/67/641786567.db2.gz ABXPBXWGVYYDLN-NEPJUHHUSA-N 2 1 244.379 1.267 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(OC)OC)[C@H](C)C1 ZINC000189114962 641786572 /nfs/dbraw/zinc/78/65/72/641786572.db2.gz ABXPBXWGVYYDLN-NEPJUHHUSA-N 2 1 244.379 1.267 20 0 BDADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCOC1 ZINC000124012679 642428016 /nfs/dbraw/zinc/42/80/16/642428016.db2.gz UKAGUQOKVALELL-AWEZNQCLSA-N 2 1 246.354 1.553 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214401 642458352 /nfs/dbraw/zinc/45/83/52/642458352.db2.gz PSQJLECAXLHYHP-MJBXVCDLSA-N 2 1 241.423 1.822 20 0 BDADMP COCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420402585 642724915 /nfs/dbraw/zinc/72/49/15/642724915.db2.gz MERNCLAFSSGLHP-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP COCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420402585 642724921 /nfs/dbraw/zinc/72/49/21/642724921.db2.gz MERNCLAFSSGLHP-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499605 643029554 /nfs/dbraw/zinc/02/95/54/643029554.db2.gz FDYMIDLQPHHAME-ZDUSSCGKSA-N 2 1 230.355 1.956 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499604 643030558 /nfs/dbraw/zinc/03/05/58/643030558.db2.gz FDYMIDLQPHHAME-CYBMUJFWSA-N 2 1 230.355 1.956 20 0 BDADMP C[N@H+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000082483736 643321215 /nfs/dbraw/zinc/32/12/15/643321215.db2.gz GEJIUTIDKQXZGU-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP CCOCC[N@@H+](CC)C[C@]1(C)CCC[NH2+]C1 ZINC000082538597 643339685 /nfs/dbraw/zinc/33/96/85/643339685.db2.gz KQYFYVFSAKYFOC-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\Cl)CC12CCOCC2 ZINC000846220382 643649268 /nfs/dbraw/zinc/64/92/68/643649268.db2.gz HUYARHJZOYJBBJ-PNDGHQIGSA-N 2 1 244.766 1.426 20 0 BDADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245057 643656431 /nfs/dbraw/zinc/65/64/31/643656431.db2.gz FAXYTJXQXFCFJC-GFCCVEGCSA-N 2 1 248.326 1.254 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000085015783 643678602 /nfs/dbraw/zinc/67/86/02/643678602.db2.gz AQDORIHVMQGPNZ-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CCc1cnc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000234251880 643688967 /nfs/dbraw/zinc/68/89/67/643688967.db2.gz IRPWUYDDGDUUIR-MWLCHTKSSA-N 2 1 239.388 1.923 20 0 BDADMP C[N@@H+](CCCC[NH2+]Cc1cc[nH]c(=O)c1)C1CC1 ZINC000922172410 643889754 /nfs/dbraw/zinc/88/97/54/643889754.db2.gz TWJMIXYQUGWLEE-UHFFFAOYSA-N 2 1 249.358 1.751 20 0 BDADMP CC(C)(C)[N@@H+]1CC[C@@H](NCc2cc[nH]c(=O)c2)C1 ZINC000922237652 643914233 /nfs/dbraw/zinc/91/42/33/643914233.db2.gz MFKIQSCPIWPXRK-GFCCVEGCSA-N 2 1 249.358 1.750 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H](NCc2cc[nH]c(=O)c2)C1 ZINC000922237652 643914236 /nfs/dbraw/zinc/91/42/36/643914236.db2.gz MFKIQSCPIWPXRK-GFCCVEGCSA-N 2 1 249.358 1.750 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922819515 644108446 /nfs/dbraw/zinc/10/84/46/644108446.db2.gz XXYNZIAHLGYDSN-CHWSQXEVSA-N 2 1 242.407 2.000 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCC=CO1 ZINC000193722988 644275687 /nfs/dbraw/zinc/27/56/87/644275687.db2.gz STIUSWUQRMWNKH-KGLIPLIRSA-N 2 1 238.375 1.953 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CCC=CO1 ZINC000193722988 644275690 /nfs/dbraw/zinc/27/56/90/644275690.db2.gz STIUSWUQRMWNKH-KGLIPLIRSA-N 2 1 238.375 1.953 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CCC=CO1 ZINC000193722988 644275695 /nfs/dbraw/zinc/27/56/95/644275695.db2.gz STIUSWUQRMWNKH-KGLIPLIRSA-N 2 1 238.375 1.953 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923281608 644315582 /nfs/dbraw/zinc/31/55/82/644315582.db2.gz QGCMHXWGKKCCHC-GJZGRUSLSA-N 2 1 248.370 1.261 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000923286842 644319472 /nfs/dbraw/zinc/31/94/72/644319472.db2.gz ARGXGGDRKJTYEO-AEGPPILISA-N 2 1 248.370 1.698 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923288770 644323478 /nfs/dbraw/zinc/32/34/78/644323478.db2.gz AOAJPILJNWUNJF-CABZTGNLSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923288770 644323482 /nfs/dbraw/zinc/32/34/82/644323482.db2.gz AOAJPILJNWUNJF-CABZTGNLSA-N 2 1 237.347 1.715 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923300253 644325896 /nfs/dbraw/zinc/32/58/96/644325896.db2.gz PEKPPKVIIJJLHL-FRRDWIJNSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923314232 644339958 /nfs/dbraw/zinc/33/99/58/644339958.db2.gz DVVBLJKXLDDVOO-UTUOFQBUSA-N 2 1 224.348 1.095 20 0 BDADMP CC(C)C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923313576 644340609 /nfs/dbraw/zinc/34/06/09/644340609.db2.gz WIKWDLJDVBFREB-CYDGBPFRSA-N 2 1 226.364 1.205 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306128 644341004 /nfs/dbraw/zinc/34/10/04/644341004.db2.gz QOZOTKLCPXFPMJ-VXGBXAGGSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314600 644342260 /nfs/dbraw/zinc/34/22/60/644342260.db2.gz BGDKWBOFJONQDX-YNEHKIRRSA-N 2 1 238.375 1.485 20 0 BDADMP C(C[NH2+]C1CC1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000923305182 644342317 /nfs/dbraw/zinc/34/23/17/644342317.db2.gz VBGINPCFZCGEQL-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923318264 644343811 /nfs/dbraw/zinc/34/38/11/644343811.db2.gz YKVMPFNQKGPOKX-VOAKCMCISA-N 2 1 226.364 1.349 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315151 644343945 /nfs/dbraw/zinc/34/39/45/644343945.db2.gz QDXMDRMYKDYCQH-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@]1(C)CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316606 644344480 /nfs/dbraw/zinc/34/44/80/644344480.db2.gz PLUCYOFRKZHKJA-ZDEQEGDKSA-N 2 1 226.364 1.349 20 0 BDADMP c1n[nH]cc1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923321278 644348351 /nfs/dbraw/zinc/34/83/51/644348351.db2.gz BMPFARPNDZVRAS-UHFFFAOYSA-N 2 1 248.374 1.731 20 0 BDADMP CN(CCC[NH2+]C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000923322823 644351366 /nfs/dbraw/zinc/35/13/66/644351366.db2.gz ABGQPRGLXWOQNU-CQSZACIVSA-N 2 1 237.391 1.297 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333860 644355682 /nfs/dbraw/zinc/35/56/82/644355682.db2.gz YMHSPJZXRXWRQT-IHRRRGAJSA-N 2 1 242.407 1.987 20 0 BDADMP CCOCCOCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334686 644357141 /nfs/dbraw/zinc/35/71/41/644357141.db2.gz JJMFUYHWIOGVEM-CYBMUJFWSA-N 2 1 244.379 1.113 20 0 BDADMP C[C@@H](O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000923352266 644369515 /nfs/dbraw/zinc/36/95/15/644369515.db2.gz CLGFVTNOJQAYNU-LLVKDONJSA-N 2 1 214.353 1.208 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000923360559 644384838 /nfs/dbraw/zinc/38/48/38/644384838.db2.gz CINQHGFOVXEDOK-WXRRBKDZSA-N 2 1 228.380 1.739 20 0 BDADMP Cc1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)CC2 ZINC000923386255 644399666 /nfs/dbraw/zinc/39/96/66/644399666.db2.gz LQXQOKSWSUAOJB-KKUMJFAQSA-N 2 1 246.354 1.204 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CCCn1ccnc1 ZINC000923389136 644403348 /nfs/dbraw/zinc/40/33/48/644403348.db2.gz TVXCEENWLOPNEH-UHFFFAOYSA-N 2 1 236.363 1.347 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399453 644405350 /nfs/dbraw/zinc/40/53/50/644405350.db2.gz SDQJGTCSNYAGPH-HZSPNIEDSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923399453 644405353 /nfs/dbraw/zinc/40/53/53/644405353.db2.gz SDQJGTCSNYAGPH-HZSPNIEDSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923410394 644410873 /nfs/dbraw/zinc/41/08/73/644410873.db2.gz GLKWHALVTNFDBQ-XQQFMLRXSA-N 2 1 228.380 1.310 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923409924 644411357 /nfs/dbraw/zinc/41/13/57/644411357.db2.gz CMDRKZOVJRQHRE-MJBXVCDLSA-N 2 1 242.407 1.844 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923410391 644412666 /nfs/dbraw/zinc/41/26/66/644412666.db2.gz GLKWHALVTNFDBQ-AGIUHOORSA-N 2 1 228.380 1.310 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000084385591 644423219 /nfs/dbraw/zinc/42/32/19/644423219.db2.gz LRWULZNGZSAONH-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C=C/C=C\CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455529 644435756 /nfs/dbraw/zinc/43/57/56/644435756.db2.gz WNPTVBYBHAXOMY-RSNNXLNZSA-N 2 1 206.333 1.803 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455529 644435759 /nfs/dbraw/zinc/43/57/59/644435759.db2.gz WNPTVBYBHAXOMY-RSNNXLNZSA-N 2 1 206.333 1.803 20 0 BDADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000923482227 644460314 /nfs/dbraw/zinc/46/03/14/644460314.db2.gz XVWXWEGMZCIVTJ-GHMZBOCLSA-N 2 1 223.320 1.715 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923483535 644460332 /nfs/dbraw/zinc/46/03/32/644460332.db2.gz BQSOALZRIBUBBG-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496347 644461530 /nfs/dbraw/zinc/46/15/30/644461530.db2.gz HMVDQEBVHKXWBM-UTUOFQBUSA-N 2 1 242.363 1.245 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496219 644463798 /nfs/dbraw/zinc/46/37/98/644463798.db2.gz GUFFTDNJEAYKLN-VXGBXAGGSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC000923489847 644465641 /nfs/dbraw/zinc/46/56/41/644465641.db2.gz MECNTGHIISYAEK-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496909 644470051 /nfs/dbraw/zinc/47/00/51/644470051.db2.gz KEYGXZMTUHTESP-WOPDTQHZSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@H]1C[NH3+] ZINC000923494066 644470562 /nfs/dbraw/zinc/47/05/62/644470562.db2.gz VNXDWOFOAZOSRN-MNOVXSKESA-N 2 1 239.388 1.602 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1C[NH3+] ZINC000923499460 644473540 /nfs/dbraw/zinc/47/35/40/644473540.db2.gz KZHAQRZULDTPCC-NWDGAFQWSA-N 2 1 219.332 1.498 20 0 BDADMP CCO[C@@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CC1 ZINC000923511843 644476831 /nfs/dbraw/zinc/47/68/31/644476831.db2.gz WTFNMDOXPBTHDN-JLLWLGSASA-N 2 1 212.337 1.081 20 0 BDADMP CCO[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CC1 ZINC000923511843 644476835 /nfs/dbraw/zinc/47/68/35/644476835.db2.gz WTFNMDOXPBTHDN-JLLWLGSASA-N 2 1 212.337 1.081 20 0 BDADMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516007 644479673 /nfs/dbraw/zinc/47/96/73/644479673.db2.gz QMWMCXSQZOMNCN-UMSGYPCISA-N 2 1 222.376 1.962 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923530974 644487507 /nfs/dbraw/zinc/48/75/07/644487507.db2.gz OCRJQFXBUPEATQ-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP Fc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522263 644487810 /nfs/dbraw/zinc/48/78/10/644487810.db2.gz ZAOCCGGMXRCPDO-WCQYABFASA-N 2 1 234.318 1.867 20 0 BDADMP Fc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522263 644487815 /nfs/dbraw/zinc/48/78/15/644487815.db2.gz ZAOCCGGMXRCPDO-WCQYABFASA-N 2 1 234.318 1.867 20 0 BDADMP C(C[N@H+]1CCOC[C@H]1CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000923555237 644497480 /nfs/dbraw/zinc/49/74/80/644497480.db2.gz RXHLRUFMQVJSNM-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1nccs1 ZINC000251233067 644798347 /nfs/dbraw/zinc/79/83/47/644798347.db2.gz CGGUOWIUEOAAKT-GUBZILKMSA-N 2 1 225.361 1.921 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140428 644886534 /nfs/dbraw/zinc/88/65/34/644886534.db2.gz NJCHDMBXKWQWLR-MCIONIFRSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140428 644886536 /nfs/dbraw/zinc/88/65/36/644886536.db2.gz NJCHDMBXKWQWLR-MCIONIFRSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000253193468 644942816 /nfs/dbraw/zinc/94/28/16/644942816.db2.gz OQJWCQZFKBXCLG-BPLDGKMQSA-N 2 1 248.370 1.637 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCC[NH2+]1)CCOCC2 ZINC000843129587 645266641 /nfs/dbraw/zinc/26/66/41/645266641.db2.gz WURDGWOKZNGHJN-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP Cn1ccnc1[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000843389749 645287961 /nfs/dbraw/zinc/28/79/61/645287961.db2.gz QHQPPPPIPXAHRJ-STQMWFEESA-N 2 1 248.374 1.209 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC(C)(C)[NH3+] ZINC000852753689 645488337 /nfs/dbraw/zinc/48/83/37/645488337.db2.gz GLDHKMCRSTVABB-UHFFFAOYSA-N 3 1 201.358 1.175 20 0 BDADMP CN(CCCCCC[NH3+])CC(C)(C)[NH3+] ZINC000852753689 645488343 /nfs/dbraw/zinc/48/83/43/645488343.db2.gz GLDHKMCRSTVABB-UHFFFAOYSA-N 2 1 201.358 1.175 20 0 BDADMP C[N@H+](CCCCCC[NH3+])CC(C)(C)N ZINC000852753689 645488348 /nfs/dbraw/zinc/48/83/48/645488348.db2.gz GLDHKMCRSTVABB-UHFFFAOYSA-N 2 1 201.358 1.175 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC(C)(C)N ZINC000852753689 645488356 /nfs/dbraw/zinc/48/83/56/645488356.db2.gz GLDHKMCRSTVABB-UHFFFAOYSA-N 2 1 201.358 1.175 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)C(C)(C)C)C[NH+](C)C ZINC000926960658 645498202 /nfs/dbraw/zinc/49/82/02/645498202.db2.gz GCCKODHCKUOWKQ-NWDGAFQWSA-N 2 1 230.396 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCOC1(C)C)C[NH+](C)C ZINC000926962578 645502289 /nfs/dbraw/zinc/50/22/89/645502289.db2.gz QQRMGJURHGDEEZ-NEPJUHHUSA-N 2 1 244.379 1.110 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccccn1 ZINC000925490876 645537130 /nfs/dbraw/zinc/53/71/30/645537130.db2.gz HNVSHKYANKURLV-LBPRGKRZSA-N 2 1 219.332 1.354 20 0 BDADMP COC[C@@H](C[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2)C(C)C ZINC000927095459 645548050 /nfs/dbraw/zinc/54/80/50/645548050.db2.gz RMIXZQAFCBVGSI-BFHYXJOUSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@@H](C[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2)C(C)C ZINC000927095459 645548057 /nfs/dbraw/zinc/54/80/57/645548057.db2.gz RMIXZQAFCBVGSI-BFHYXJOUSA-N 2 1 240.391 1.589 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000132049331 645852237 /nfs/dbraw/zinc/85/22/37/645852237.db2.gz FSGVHGZVTFPSMO-LEWSCRJBSA-N 2 1 231.343 1.425 20 0 BDADMP c1cn(CCCN[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000925494828 645925693 /nfs/dbraw/zinc/92/56/93/645925693.db2.gz RKQFDXXKGCIGLI-GFCCVEGCSA-N 3 1 234.347 1.147 20 0 BDADMP CC1(C)[C@@H]([NH2+]Cc2cccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925496193 645935366 /nfs/dbraw/zinc/93/53/66/645935366.db2.gz YKAATWANVDVAFR-RDBSUJKOSA-N 2 1 245.370 1.948 20 0 BDADMP C[NH+](C)CCCN[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924538491 646057777 /nfs/dbraw/zinc/05/77/77/646057777.db2.gz BAECESZWQYRNFE-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924538491 646057784 /nfs/dbraw/zinc/05/77/84/646057784.db2.gz BAECESZWQYRNFE-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](C)CC1 ZINC000924576824 646072191 /nfs/dbraw/zinc/07/21/91/646072191.db2.gz YGTZQYWLYPJZLO-JSGCOSHPSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000924646261 646084791 /nfs/dbraw/zinc/08/47/91/646084791.db2.gz DLJAONOMSQBHLR-NEPJUHHUSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnnc1 ZINC000924696332 646090609 /nfs/dbraw/zinc/09/06/09/646090609.db2.gz OHOPZHOJZRKSQI-IACUBPJLSA-N 2 1 246.358 1.754 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnnc1 ZINC000924696332 646090614 /nfs/dbraw/zinc/09/06/14/646090614.db2.gz OHOPZHOJZRKSQI-IACUBPJLSA-N 2 1 246.358 1.754 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccnnc1 ZINC000924696333 646091227 /nfs/dbraw/zinc/09/12/27/646091227.db2.gz OHOPZHOJZRKSQI-UBHSHLNASA-N 2 1 246.358 1.754 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnnc1 ZINC000924696333 646091238 /nfs/dbraw/zinc/09/12/38/646091238.db2.gz OHOPZHOJZRKSQI-UBHSHLNASA-N 2 1 246.358 1.754 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)CO ZINC000924714155 646094187 /nfs/dbraw/zinc/09/41/87/646094187.db2.gz AFXWRWVLPFVRHH-PWSUYJOCSA-N 2 1 228.380 1.323 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924871566 646121379 /nfs/dbraw/zinc/12/13/79/646121379.db2.gz FCDIWUUPBXMDGA-GHMZBOCLSA-N 2 1 237.347 1.452 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924915250 646132553 /nfs/dbraw/zinc/13/25/53/646132553.db2.gz FIQVGIXYNVDGNZ-AVGNSLFASA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924915250 646132563 /nfs/dbraw/zinc/13/25/63/646132563.db2.gz FIQVGIXYNVDGNZ-AVGNSLFASA-N 2 1 242.407 1.977 20 0 BDADMP Cc1cccc2c1[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC2 ZINC000924993485 646151871 /nfs/dbraw/zinc/15/18/71/646151871.db2.gz LJVRLRAFWOGPSS-KGLIPLIRSA-N 2 1 248.370 1.494 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[NH+]3C[C@@H]2CCC3)CC[N@H+]1C ZINC000925140512 646193619 /nfs/dbraw/zinc/19/36/19/646193619.db2.gz JTZOTRJTSATMCK-XJFOESAGSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[N@@H+]3C[C@@H]2CCC3)CC[NH+]1C ZINC000925140512 646193622 /nfs/dbraw/zinc/19/36/22/646193622.db2.gz JTZOTRJTSATMCK-XJFOESAGSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN3C[C@@H]2CCC3)CCN1C ZINC000925140512 646193629 /nfs/dbraw/zinc/19/36/29/646193629.db2.gz JTZOTRJTSATMCK-XJFOESAGSA-N 2 1 237.391 1.153 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925478634 646292196 /nfs/dbraw/zinc/29/21/96/646292196.db2.gz VPEKHIXGOHNODF-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000925482205 646295753 /nfs/dbraw/zinc/29/57/53/646295753.db2.gz MPMBUNMKWPYDJZ-FZMZJTMJSA-N 2 1 234.343 1.844 20 0 BDADMP CCN(CC)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925501496 646303413 /nfs/dbraw/zinc/30/34/13/646303413.db2.gz ICBRBRMEQIWSNA-STQMWFEESA-N 2 1 241.423 1.824 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](CC)CO)C1 ZINC000929777108 646304930 /nfs/dbraw/zinc/30/49/30/646304930.db2.gz AIENVEDEIDPKKG-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925510338 646308185 /nfs/dbraw/zinc/30/81/85/646308185.db2.gz UZNVRUWGBQKIGY-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@H]1C[C@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000929782934 646308688 /nfs/dbraw/zinc/30/86/88/646308688.db2.gz NIZGKKQYSUEZKD-BFHYXJOUSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@H]1C[C@H](N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000929782934 646308692 /nfs/dbraw/zinc/30/86/92/646308692.db2.gz NIZGKKQYSUEZKD-BFHYXJOUSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@H]1C[C@H](N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000929782934 646308695 /nfs/dbraw/zinc/30/86/95/646308695.db2.gz NIZGKKQYSUEZKD-BFHYXJOUSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+](C)CCCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925523380 646314914 /nfs/dbraw/zinc/31/49/14/646314914.db2.gz YICKUSJCZRDTHO-CYBMUJFWSA-N 2 1 239.407 1.593 20 0 BDADMP COC1CCC(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925543115 646324957 /nfs/dbraw/zinc/32/49/57/646324957.db2.gz QPJAOCMCVUMZJF-BLYZHGLHSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925557802 646333943 /nfs/dbraw/zinc/33/39/43/646333943.db2.gz QOLQXVNGHZRUGS-YUTCNCBUSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925557020 646333972 /nfs/dbraw/zinc/33/39/72/646333972.db2.gz MKNLKCVNUZROBT-CYBMUJFWSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925562422 646336244 /nfs/dbraw/zinc/33/62/44/646336244.db2.gz WNDUGEUXFJOJHW-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000925576274 646341281 /nfs/dbraw/zinc/34/12/81/646341281.db2.gz WXNIJDVDECIVCW-ZDUSSCGKSA-N 2 1 233.359 1.663 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925582021 646343633 /nfs/dbraw/zinc/34/36/33/646343633.db2.gz VSZYEBVDQOUOBL-WDEREUQCSA-N 2 1 214.353 1.268 20 0 BDADMP CCC1(O)CCC([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925617547 646365681 /nfs/dbraw/zinc/36/56/81/646365681.db2.gz XAUIPKJSCQUPJQ-ZIHBUVQPSA-N 2 1 240.391 1.800 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925619963 646367452 /nfs/dbraw/zinc/36/74/52/646367452.db2.gz SIPGFZYUMPURRI-NEPJUHHUSA-N 2 1 226.364 1.268 20 0 BDADMP Cc1cnccc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925626073 646372479 /nfs/dbraw/zinc/37/24/79/646372479.db2.gz NMBCODXYQBYTON-CQSZACIVSA-N 2 1 245.370 1.807 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1nccs1 ZINC000925647862 646389073 /nfs/dbraw/zinc/38/90/73/646389073.db2.gz JLSKLXLWHNNWKE-NXEZZACHSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925655435 646393645 /nfs/dbraw/zinc/39/36/45/646393645.db2.gz VFDGNPIEAWXIAZ-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP CSC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925658399 646393738 /nfs/dbraw/zinc/39/37/38/646393738.db2.gz SPPWTKPRAUFJID-VIFPVBQESA-N 2 1 214.378 1.612 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)n1 ZINC000925661269 646396991 /nfs/dbraw/zinc/39/69/91/646396991.db2.gz CPDKRHWJDRJYHV-CYBMUJFWSA-N 2 1 233.359 1.663 20 0 BDADMP Cc1cnc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000925684634 646410710 /nfs/dbraw/zinc/41/07/10/646410710.db2.gz IMCDFSWJCFZYFE-LBPRGKRZSA-N 2 1 234.347 1.058 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925697605 646422004 /nfs/dbraw/zinc/42/20/04/646422004.db2.gz YJFJHCAAYPMQNZ-NNYUYHANSA-N 2 1 212.337 1.284 20 0 BDADMP CC(C)([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925699312 646423865 /nfs/dbraw/zinc/42/38/65/646423865.db2.gz NUZYLIDVKNCZPG-CYBMUJFWSA-N 2 1 235.375 1.794 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000925701624 646424479 /nfs/dbraw/zinc/42/44/79/646424479.db2.gz CGNFJIBNCSOWIV-TZMCWYRMSA-N 2 1 245.370 1.753 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccnnc1 ZINC000925702473 646427566 /nfs/dbraw/zinc/42/75/66/646427566.db2.gz ADAGHMJFIULBEV-LLVKDONJSA-N 2 1 232.331 1.389 20 0 BDADMP COCC1(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925706947 646430259 /nfs/dbraw/zinc/43/02/59/646430259.db2.gz PISPXENKDJTFLJ-RYUDHWBXSA-N 2 1 226.364 1.533 20 0 BDADMP C1=C(CCN[C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000925706183 646431312 /nfs/dbraw/zinc/43/13/12/646431312.db2.gz MKMICUMWYNUBQM-ZDUSSCGKSA-N 2 1 235.375 1.170 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NCCCCCC[NH3+] ZINC000925707221 646432756 /nfs/dbraw/zinc/43/27/56/646432756.db2.gz DJHVOFSSFDLLJK-LLVKDONJSA-N 2 1 213.369 1.236 20 0 BDADMP CCn1nccc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925715624 646440801 /nfs/dbraw/zinc/44/08/01/646440801.db2.gz FQFIWHQMYJOGRH-NEPJUHHUSA-N 2 1 234.347 1.263 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)[C@H](C)O1 ZINC000925726058 646452283 /nfs/dbraw/zinc/45/22/83/646452283.db2.gz PUGWROLEIXPZFC-MROQNXINSA-N 2 1 238.375 1.817 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000925729715 646453800 /nfs/dbraw/zinc/45/38/00/646453800.db2.gz LINQJXVRBRBBME-HTVCTNPSSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925739083 646462454 /nfs/dbraw/zinc/46/24/54/646462454.db2.gz ZVTLAQOOFQTNGZ-WDEREUQCSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000925775736 646474527 /nfs/dbraw/zinc/47/45/27/646474527.db2.gz RSZCZQDTTRAJSB-FRRDWIJNSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000925775066 646474823 /nfs/dbraw/zinc/47/48/23/646474823.db2.gz ZWFRGLBXGHTYLS-AVGNSLFASA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CNCCC1(F)F ZINC000925779687 646477536 /nfs/dbraw/zinc/47/75/36/646477536.db2.gz ZJPLSTSAMWQNIS-WDEREUQCSA-N 2 1 249.349 1.338 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925786709 646482688 /nfs/dbraw/zinc/48/26/88/646482688.db2.gz VFMDMHDRLKGXNK-FDYHWXHSSA-N 2 1 240.391 1.776 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(N(C)C)ccn1 ZINC000925813485 646492005 /nfs/dbraw/zinc/49/20/05/646492005.db2.gz TZNNRAVCJGHRKF-MNOVXSKESA-N 2 1 236.363 1.363 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925831013 646501159 /nfs/dbraw/zinc/50/11/59/646501159.db2.gz LOFRSAPALZGQAS-HPCHECBXSA-N 2 1 236.359 1.165 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841131 646505975 /nfs/dbraw/zinc/50/59/75/646505975.db2.gz FIRDCNXLOSCPLB-IGQOVBAYSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841131 646505993 /nfs/dbraw/zinc/50/59/93/646505993.db2.gz FIRDCNXLOSCPLB-IGQOVBAYSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840580 646506609 /nfs/dbraw/zinc/50/66/09/646506609.db2.gz MUCAXMIHBVISLO-UMSGYPCISA-N 3 1 225.380 1.234 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925855804 646510677 /nfs/dbraw/zinc/51/06/77/646510677.db2.gz ICVKUIQIZDEOFG-MNOVXSKESA-N 2 1 214.353 1.268 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925857950 646511677 /nfs/dbraw/zinc/51/16/77/646511677.db2.gz NWJXHTPWRIHIPN-OLZOCXBDSA-N 2 1 240.391 1.802 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000925854301 646511737 /nfs/dbraw/zinc/51/17/37/646511737.db2.gz DJGCUUVPLODQAJ-SDDRHHMPSA-N 2 1 214.353 1.125 20 0 BDADMP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCS2 ZINC000925855227 646511761 /nfs/dbraw/zinc/51/17/61/646511761.db2.gz CGIXODZSOLWQCN-GHMZBOCLSA-N 2 1 226.389 1.756 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)C1C[NH2+]C1 ZINC000925872703 646523838 /nfs/dbraw/zinc/52/38/38/646523838.db2.gz XZQVEUPPKOHTBW-GXFFZTMASA-N 2 1 231.343 1.657 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)C1C[NH2+]C1 ZINC000925872705 646524694 /nfs/dbraw/zinc/52/46/94/646524694.db2.gz XZQVEUPPKOHTBW-ZWNOBZJWSA-N 2 1 231.343 1.657 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000925880108 646528936 /nfs/dbraw/zinc/52/89/36/646528936.db2.gz ODKNLYZSTGQSKN-RNJOBUHISA-N 2 1 225.380 1.234 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000926224417 646598698 /nfs/dbraw/zinc/59/86/98/646598698.db2.gz PFEIPTHCZDVIDV-DQJFZVCTSA-N 2 1 238.375 1.076 20 0 BDADMP CCCc1noc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723713030 711535211 /nfs/dbraw/zinc/53/52/11/711535211.db2.gz LJILLJDXGDIDCK-SNVBAGLBSA-N 2 1 238.335 1.193 20 0 BDADMP CCCc1noc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723713030 711535213 /nfs/dbraw/zinc/53/52/13/711535213.db2.gz LJILLJDXGDIDCK-SNVBAGLBSA-N 2 1 238.335 1.193 20 0 BDADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000385356152 711699943 /nfs/dbraw/zinc/69/99/43/711699943.db2.gz GWYSFYRSIKYBCF-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOC(F)(F)F ZINC000398196370 711709130 /nfs/dbraw/zinc/70/91/30/711709130.db2.gz VGOXNCSSAGCJQR-DTWKUNHWSA-N 2 1 240.269 1.725 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCOC(F)(F)F ZINC000398196370 711709131 /nfs/dbraw/zinc/70/91/31/711709131.db2.gz VGOXNCSSAGCJQR-DTWKUNHWSA-N 2 1 240.269 1.725 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)CC[C@H]21 ZINC000879580836 711770617 /nfs/dbraw/zinc/77/06/17/711770617.db2.gz UZKDDXJPSOZTAR-UPJWGTAASA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)C(C)(C)C)CC[C@H]21 ZINC000879580836 711770619 /nfs/dbraw/zinc/77/06/19/711770619.db2.gz UZKDDXJPSOZTAR-UPJWGTAASA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)C(C)(C)C)CC[C@H]21 ZINC000879580836 711770620 /nfs/dbraw/zinc/77/06/20/711770620.db2.gz UZKDDXJPSOZTAR-UPJWGTAASA-N 2 1 240.391 1.419 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000721910919 711917424 /nfs/dbraw/zinc/91/74/24/711917424.db2.gz GPFONMATMDQTCT-XQQFMLRXSA-N 2 1 228.380 1.574 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](COC)C(C)C ZINC000721916600 711918822 /nfs/dbraw/zinc/91/88/22/711918822.db2.gz YWFNKKPMVKKQHU-LBPRGKRZSA-N 2 1 216.369 1.446 20 0 BDADMP COC[C@H](C[N@@H+](C)C1CC[NH2+]CC1)C(C)C ZINC000721914058 711918112 /nfs/dbraw/zinc/91/81/12/711918112.db2.gz QXQFGTAGKTXPPT-LBPRGKRZSA-N 2 1 228.380 1.589 20 0 BDADMP C[C@@H]1CSCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000700239932 711988149 /nfs/dbraw/zinc/98/81/49/711988149.db2.gz XRSNJUALIQWMLD-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC1CC(OC)C1 ZINC000703845806 712090323 /nfs/dbraw/zinc/09/03/23/712090323.db2.gz UFVNWHKRRHFFFK-MOENNCHZSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1CC(OC)C1 ZINC000703845806 712090325 /nfs/dbraw/zinc/09/03/25/712090325.db2.gz UFVNWHKRRHFFFK-MOENNCHZSA-N 2 1 212.337 1.095 20 0 BDADMP CSC1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000706896549 712159405 /nfs/dbraw/zinc/15/94/05/712159405.db2.gz AOBFNKZOHGZHGT-JYBOHDQNSA-N 2 1 228.405 1.953 20 0 BDADMP CSC1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000706896549 712159408 /nfs/dbraw/zinc/15/94/08/712159408.db2.gz AOBFNKZOHGZHGT-JYBOHDQNSA-N 2 1 228.405 1.953 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000708341334 712189071 /nfs/dbraw/zinc/18/90/71/712189071.db2.gz RTXCRTWXVFGUII-QWRGUYRKSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708337490 712189189 /nfs/dbraw/zinc/18/91/89/712189189.db2.gz NMBQETBYSUJPRI-IJLUTSLNSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])CC(C)(C)C ZINC000709133227 712209945 /nfs/dbraw/zinc/20/99/45/712209945.db2.gz YMHTUMKOUQUNEM-WDEREUQCSA-N 2 1 216.369 1.310 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCC1)C2 ZINC000709858158 712229726 /nfs/dbraw/zinc/22/97/26/712229726.db2.gz ANKWOKSMLUXWGT-XQQFMLRXSA-N 2 1 208.349 1.988 20 0 BDADMP CCN1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])C1=O ZINC000710804331 712257240 /nfs/dbraw/zinc/25/72/40/712257240.db2.gz NKTLVBQWUSEOGS-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712555050 712445286 /nfs/dbraw/zinc/44/52/86/712445286.db2.gz PSJAJCYIAPORDZ-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP CC[N@@H+]1CC[C@H]1CNc1cc(C)[nH+]c(C)n1 ZINC000712568726 712447153 /nfs/dbraw/zinc/44/71/53/712447153.db2.gz FBPFTODQQMZMEN-NSHDSACASA-N 2 1 220.320 1.600 20 0 BDADMP CC[N@H+]1CC[C@H]1CNc1cc(C)[nH+]c(C)n1 ZINC000712568726 712447154 /nfs/dbraw/zinc/44/71/54/712447154.db2.gz FBPFTODQQMZMEN-NSHDSACASA-N 2 1 220.320 1.600 20 0 BDADMP C[N@@H+](C[C@H]1CCC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000713584455 712466129 /nfs/dbraw/zinc/46/61/29/712466129.db2.gz FUNOEYPCBLRWJF-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000714439926 712488933 /nfs/dbraw/zinc/48/89/33/712488933.db2.gz ZIWZTEFOFROODK-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000714439926 712488934 /nfs/dbraw/zinc/48/89/34/712488934.db2.gz ZIWZTEFOFROODK-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511591 712524435 /nfs/dbraw/zinc/52/44/35/712524435.db2.gz SLRJWRRBVSBLLX-QWHCGFSZSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+](CCCF)C[C@@H]1CCCC[NH2+]C1 ZINC000716809923 712575962 /nfs/dbraw/zinc/57/59/62/712575962.db2.gz UBDRNEYFUJPQQE-LLVKDONJSA-N 2 1 202.317 1.668 20 0 BDADMP c1cc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)sn1 ZINC000719845419 712825450 /nfs/dbraw/zinc/82/54/50/712825450.db2.gz OHIUJEWDPISPLM-PWSUYJOCSA-N 2 1 237.372 1.369 20 0 BDADMP c1cc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)sn1 ZINC000719845419 712825451 /nfs/dbraw/zinc/82/54/51/712825451.db2.gz OHIUJEWDPISPLM-PWSUYJOCSA-N 2 1 237.372 1.369 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCCC[NH3+] ZINC000720890428 712874814 /nfs/dbraw/zinc/87/48/14/712874814.db2.gz BKLZIJQXQSUMHU-UONOGXRCSA-N 2 1 239.407 1.674 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000721909861 710690565 /nfs/dbraw/zinc/69/05/65/710690565.db2.gz CFGZQTSUZHGYBA-RDBSUJKOSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000721909861 710690568 /nfs/dbraw/zinc/69/05/68/710690568.db2.gz CFGZQTSUZHGYBA-RDBSUJKOSA-N 2 1 240.391 1.589 20 0 BDADMP COC[C@H](C[NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000721894572 710690106 /nfs/dbraw/zinc/69/01/06/710690106.db2.gz AMOWLQRSTLNBBE-LBPRGKRZSA-N 2 1 228.380 1.589 20 0 BDADMP COC[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@H]1C)C(C)C ZINC000721917000 710692534 /nfs/dbraw/zinc/69/25/34/710692534.db2.gz HDPRWQHSSZTKHC-GRYCIOLGSA-N 2 1 214.353 1.327 20 0 BDADMP COC[C@H](C[N@H+]1C[C@H]([NH3+])C[C@H]1C)C(C)C ZINC000721917000 710692538 /nfs/dbraw/zinc/69/25/38/710692538.db2.gz HDPRWQHSSZTKHC-GRYCIOLGSA-N 2 1 214.353 1.327 20 0 BDADMP OC1CC2(C[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000724987272 710753736 /nfs/dbraw/zinc/75/37/36/710753736.db2.gz UKYZPPLGLXIMGY-VZANTVGXSA-N 2 1 236.359 1.116 20 0 BDADMP COCCCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396706087 710906849 /nfs/dbraw/zinc/90/68/49/710906849.db2.gz ORPBEBGJVAWABG-RYUDHWBXSA-N 2 1 214.353 1.533 20 0 BDADMP COCCOCCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396678940 710906912 /nfs/dbraw/zinc/90/69/12/710906912.db2.gz VCHSGHOGBHBQSO-CHWSQXEVSA-N 2 1 244.379 1.160 20 0 BDADMP CN1CC[N@@H+](CCCCCC[NH3+])C(C)(C)C1=O ZINC000383926183 710986854 /nfs/dbraw/zinc/98/68/54/710986854.db2.gz RUMUWVGDYNDJJY-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384000597 710987370 /nfs/dbraw/zinc/98/73/70/710987370.db2.gz KVGYYNXJEFRDNU-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384000597 710987373 /nfs/dbraw/zinc/98/73/73/710987373.db2.gz KVGYYNXJEFRDNU-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)CCCCCC[NH3+] ZINC000385296497 711010449 /nfs/dbraw/zinc/01/04/49/711010449.db2.gz DJXWFSWBHDDEHP-LLVKDONJSA-N 2 1 230.352 1.246 20 0 BDADMP C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[N@@H+](C)C1CC1 ZINC000385550061 711015017 /nfs/dbraw/zinc/01/50/17/711015017.db2.gz WVNFLTDWXRPJLT-AWOLGQDMSA-N 2 1 249.402 1.055 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000389318039 711076078 /nfs/dbraw/zinc/07/60/78/711076078.db2.gz FYUIADDGOZUIBG-NTZNESFSSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCOC2CCC2)CC[N@H+]1C ZINC000390593264 711128494 /nfs/dbraw/zinc/12/84/94/711128494.db2.gz ZUWWFTUNGIMEIT-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP C(CC1CC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000394487070 711193335 /nfs/dbraw/zinc/19/33/35/711193335.db2.gz IGLJZTWOXYHXQK-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000396576466 711356671 /nfs/dbraw/zinc/35/66/71/711356671.db2.gz CPYLXWHXYXOPIV-NEPJUHHUSA-N 2 1 226.364 1.269 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000396585842 711357560 /nfs/dbraw/zinc/35/75/60/711357560.db2.gz RDRJKATWYIVVAL-OLZOCXBDSA-N 2 1 236.363 1.393 20 0 BDADMP COCCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396580107 711357892 /nfs/dbraw/zinc/35/78/92/711357892.db2.gz FAQYQUOZNONOTB-NWDGAFQWSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396594435 711359483 /nfs/dbraw/zinc/35/94/83/711359483.db2.gz DSGDQLDOXJCSGB-SRVKXCTJSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000396594315 711359689 /nfs/dbraw/zinc/35/96/89/711359689.db2.gz KWJYMUBNVVLUMH-CHWSQXEVSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1COCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000399172626 711423026 /nfs/dbraw/zinc/42/30/26/711423026.db2.gz OXWDXISEIWWLGY-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])C1 ZINC000721962815 710693638 /nfs/dbraw/zinc/69/36/38/710693638.db2.gz OTXNXOXRTOGFQK-IGQOVBAYSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])C[C@@H]1CCOC1 ZINC000398947716 710910403 /nfs/dbraw/zinc/91/04/03/710910403.db2.gz MECIVKJFXGUDKW-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000396734470 711365955 /nfs/dbraw/zinc/36/59/55/711365955.db2.gz ZQLIXACDPNGCGX-NEPJUHHUSA-N 2 1 228.380 1.515 20 0 BDADMP CCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)COC1 ZINC000396705442 711366540 /nfs/dbraw/zinc/36/65/40/711366540.db2.gz JCKKCYKUPOWCMF-GHMZBOCLSA-N 2 1 212.337 1.143 20 0 BDADMP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000397785271 711391535 /nfs/dbraw/zinc/39/15/35/711391535.db2.gz AWCQBOASHKYTBF-UHFFFAOYSA-N 2 1 232.331 1.717 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCOC1 ZINC000399703037 711433942 /nfs/dbraw/zinc/43/39/42/711433942.db2.gz BQDBQVSDMUFSIC-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000723633073 711527898 /nfs/dbraw/zinc/52/78/98/711527898.db2.gz JBBMOOBFZALIEV-GFCCVEGCSA-N 2 1 237.347 1.852 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000723642460 711529538 /nfs/dbraw/zinc/52/95/38/711529538.db2.gz WCVSWXHTZLIPBY-AVGNSLFASA-N 2 1 249.358 1.851 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000723691947 711534242 /nfs/dbraw/zinc/53/42/42/711534242.db2.gz VWVHUEVYIFWVBW-JTQLQIEISA-N 2 1 209.293 1.154 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000723709268 711536053 /nfs/dbraw/zinc/53/60/53/711536053.db2.gz NJDOMGFIGZDQEQ-QWRGUYRKSA-N 2 1 214.378 1.410 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902922 711545119 /nfs/dbraw/zinc/54/51/19/711545119.db2.gz QXTPSVFSTCUHAM-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382658268 711547141 /nfs/dbraw/zinc/54/71/41/711547141.db2.gz NYKOYDRVJMWANN-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382658268 711547142 /nfs/dbraw/zinc/54/71/42/711547142.db2.gz NYKOYDRVJMWANN-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133084973 711558807 /nfs/dbraw/zinc/55/88/07/711558807.db2.gz FNFHVNCETAGIOQ-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(C)(C)CO ZINC000926573994 711653828 /nfs/dbraw/zinc/65/38/28/711653828.db2.gz RDXIELZMQUBJDN-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP CSC[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925502803 711692860 /nfs/dbraw/zinc/69/28/60/711692860.db2.gz ISNFYEVSUOQQCV-ZJUUUORDSA-N 2 1 214.378 1.612 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925718156 711714175 /nfs/dbraw/zinc/71/41/75/711714175.db2.gz XCSQOHWTUMYGSY-CHWSQXEVSA-N 2 1 240.391 1.922 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000082545715 711716817 /nfs/dbraw/zinc/71/68/17/711716817.db2.gz KBAPCZLUZXITHJ-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCC1 ZINC000335023771 711719504 /nfs/dbraw/zinc/71/95/04/711719504.db2.gz LSZUGAZUZMHOCB-JTQLQIEISA-N 2 1 220.320 1.258 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@H]1CCC[NH2+]C1 ZINC000334979369 711719745 /nfs/dbraw/zinc/71/97/45/711719745.db2.gz FNXRTTZAJHCAHC-KGLIPLIRSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)[C@H]1CCC[NH2+]C1 ZINC000334979369 711719746 /nfs/dbraw/zinc/71/97/46/711719746.db2.gz FNXRTTZAJHCAHC-KGLIPLIRSA-N 3 1 237.391 1.204 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257680309 711726256 /nfs/dbraw/zinc/72/62/56/711726256.db2.gz KVFFPCSYPCATTG-AWEZNQCLSA-N 2 1 233.359 1.601 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000250491697 711759952 /nfs/dbraw/zinc/75/99/52/711759952.db2.gz HEMRIYBLRMTAMZ-STQMWFEESA-N 2 1 227.396 1.434 20 0 BDADMP Cc1noc2ncc(C[NH2+]CCC[NH+](C)C)cc12 ZINC000894145595 711764353 /nfs/dbraw/zinc/76/43/53/711764353.db2.gz FQSBDHXAWKAFBC-UHFFFAOYSA-N 2 1 248.330 1.573 20 0 BDADMP CCc1cc(N[C@@H]2CCC[NH2+][C@H]2C)nc(C)[nH+]1 ZINC000229599753 711838461 /nfs/dbraw/zinc/83/84/61/711838461.db2.gz AXGJAOLMNIRMLG-JOYOIKCWSA-N 2 1 234.347 1.900 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+](CCN)Cc2ccccc2)C1 ZINC000721931875 711939530 /nfs/dbraw/zinc/93/95/30/711939530.db2.gz LYVSRYPKPMIPDM-GASCZTMLSA-N 2 1 248.370 1.872 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](CCN)Cc2ccccc2)C1 ZINC000721931875 711939533 /nfs/dbraw/zinc/93/95/33/711939533.db2.gz LYVSRYPKPMIPDM-GASCZTMLSA-N 2 1 248.370 1.872 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000721931875 711939535 /nfs/dbraw/zinc/93/95/35/711939535.db2.gz LYVSRYPKPMIPDM-GASCZTMLSA-N 2 1 248.370 1.872 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000721931875 711939538 /nfs/dbraw/zinc/93/95/38/711939538.db2.gz LYVSRYPKPMIPDM-GASCZTMLSA-N 2 1 248.370 1.872 20 0 BDADMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C1CC1 ZINC000423320701 711957977 /nfs/dbraw/zinc/95/79/77/711957977.db2.gz MMEQIYBKUZQJMZ-GHMZBOCLSA-N 2 1 220.320 1.114 20 0 BDADMP C[C@@H](C[N@@H+](C)CCOCC[NH3+])CC(C)(C)C ZINC000709192079 711978683 /nfs/dbraw/zinc/97/86/83/711978683.db2.gz YNEPEKQEFPGFQC-GFCCVEGCSA-N 2 1 230.396 1.966 20 0 BDADMP COc1cncc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000700039121 711983534 /nfs/dbraw/zinc/98/35/34/711983534.db2.gz XSEGYQGHDHVTBR-LLVKDONJSA-N 2 1 237.347 1.520 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700383381 711991553 /nfs/dbraw/zinc/99/15/53/711991553.db2.gz IXRPVFBVGBJIOQ-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700788965 712005191 /nfs/dbraw/zinc/00/51/91/712005191.db2.gz SKVTVEUBXNAZTB-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000701950650 712033163 /nfs/dbraw/zinc/03/31/63/712033163.db2.gz KFBYTJRRWUTTNR-AEJSXWLSSA-N 2 1 218.291 1.762 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@@H]1CCCCO1)C2 ZINC000702111321 712039000 /nfs/dbraw/zinc/03/90/00/712039000.db2.gz PZCAXKMJSLMZQU-MELADBBJSA-N 2 1 238.375 1.487 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1CCC(C)(O)CC1 ZINC000702981428 712062603 /nfs/dbraw/zinc/06/26/03/712062603.db2.gz QPVREGCCPYFBFZ-UHFFFAOYSA-N 2 1 237.347 1.246 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703008232 712063829 /nfs/dbraw/zinc/06/38/29/712063829.db2.gz HLUGSJDXCOVBQG-IYXRBSQSSA-N 2 1 240.391 1.611 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000703161176 712066862 /nfs/dbraw/zinc/06/68/62/712066862.db2.gz BQLNGAJZZHUPPT-UZEXVOJHSA-N 2 1 212.337 1.223 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000703684540 712083943 /nfs/dbraw/zinc/08/39/43/712083943.db2.gz RIGCOHZOBLMLMD-SNVBAGLBSA-N 2 1 239.750 1.906 20 0 BDADMP COC1CC(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000703870372 712091705 /nfs/dbraw/zinc/09/17/05/712091705.db2.gz DVWSGUXTMKOSGO-IGYKFCIQSA-N 2 1 240.391 1.717 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCC[NH+](C)C1 ZINC000705175421 712125326 /nfs/dbraw/zinc/12/53/26/712125326.db2.gz SHDOQFXSONTMMC-AWEZNQCLSA-N 3 1 241.423 1.779 20 0 BDADMP C[NH+](CCCCCC[NH3+])C[C@@H]1CCC[N@H+](C)C1 ZINC000705175421 712125328 /nfs/dbraw/zinc/12/53/28/712125328.db2.gz SHDOQFXSONTMMC-AWEZNQCLSA-N 3 1 241.423 1.779 20 0 BDADMP C[NH+](CCCCCC[NH3+])C[C@@H]1CCC[N@@H+](C)C1 ZINC000705175421 712125331 /nfs/dbraw/zinc/12/53/31/712125331.db2.gz SHDOQFXSONTMMC-AWEZNQCLSA-N 3 1 241.423 1.779 20 0 BDADMP CN1CCC[C@@H](C[N@H+](C)CCCCCC[NH3+])C1 ZINC000705175421 712125332 /nfs/dbraw/zinc/12/53/32/712125332.db2.gz SHDOQFXSONTMMC-AWEZNQCLSA-N 2 1 241.423 1.779 20 0 BDADMP CN1CCC[C@@H](C[N@@H+](C)CCCCCC[NH3+])C1 ZINC000705175421 712125335 /nfs/dbraw/zinc/12/53/35/712125335.db2.gz SHDOQFXSONTMMC-AWEZNQCLSA-N 2 1 241.423 1.779 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCC[NH+](C)C1 ZINC000705175422 712125791 /nfs/dbraw/zinc/12/57/91/712125791.db2.gz SHDOQFXSONTMMC-CQSZACIVSA-N 3 1 241.423 1.779 20 0 BDADMP C[NH+](CCCCCC[NH3+])C[C@H]1CCC[N@H+](C)C1 ZINC000705175422 712125792 /nfs/dbraw/zinc/12/57/92/712125792.db2.gz SHDOQFXSONTMMC-CQSZACIVSA-N 3 1 241.423 1.779 20 0 BDADMP C[NH+](CCCCCC[NH3+])C[C@H]1CCC[N@@H+](C)C1 ZINC000705175422 712125793 /nfs/dbraw/zinc/12/57/93/712125793.db2.gz SHDOQFXSONTMMC-CQSZACIVSA-N 3 1 241.423 1.779 20 0 BDADMP CN1CCC[C@H](C[N@H+](C)CCCCCC[NH3+])C1 ZINC000705175422 712125794 /nfs/dbraw/zinc/12/57/94/712125794.db2.gz SHDOQFXSONTMMC-CQSZACIVSA-N 2 1 241.423 1.779 20 0 BDADMP CN1CCC[C@H](C[N@@H+](C)CCCCCC[NH3+])C1 ZINC000705175422 712125795 /nfs/dbraw/zinc/12/57/95/712125795.db2.gz SHDOQFXSONTMMC-CQSZACIVSA-N 2 1 241.423 1.779 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705661420 712135233 /nfs/dbraw/zinc/13/52/33/712135233.db2.gz ZZAKUFFYOFMEAL-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP COCC1([N@@H+](C)CCC[NH2+]C2CC2)CC1 ZINC000706417796 712145660 /nfs/dbraw/zinc/14/56/60/712145660.db2.gz QMCBXPJAGPRBJB-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCCC1CC1 ZINC000706633831 712152062 /nfs/dbraw/zinc/15/20/62/712152062.db2.gz GZWANIXGJWYJDO-UHFFFAOYSA-N 2 1 214.353 1.344 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CC(SC)C2)CC1 ZINC000706899909 712159772 /nfs/dbraw/zinc/15/97/72/712159772.db2.gz WIFNVLFFQXTGMW-UHFFFAOYSA-N 2 1 228.405 1.954 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000707632868 712175988 /nfs/dbraw/zinc/17/59/88/712175988.db2.gz CCDKOWLBXVGUJH-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000708285123 712185672 /nfs/dbraw/zinc/18/56/72/712185672.db2.gz DZCZMTXJUXQPFY-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000708333215 712188043 /nfs/dbraw/zinc/18/80/43/712188043.db2.gz VEAFNPSMPRSVMR-GFCCVEGCSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)[C@H](C[NH3+])C1 ZINC000708348687 712189978 /nfs/dbraw/zinc/18/99/78/712189978.db2.gz NSVXYUKFYMNFQC-AGIUHOORSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)[C@H](C[NH3+])C1 ZINC000708348687 712189981 /nfs/dbraw/zinc/18/99/81/712189981.db2.gz NSVXYUKFYMNFQC-AGIUHOORSA-N 2 1 240.391 1.861 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000708346398 712190191 /nfs/dbraw/zinc/19/01/91/712190191.db2.gz FFMYFYWEPSDWMN-AGIUHOORSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708813955 712199359 /nfs/dbraw/zinc/19/93/59/712199359.db2.gz GMZYKURPMVGZOP-MRVWCRGKSA-N 2 1 234.343 1.247 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000708859011 712201155 /nfs/dbraw/zinc/20/11/55/712201155.db2.gz SVTAQJMCUAKMBO-ZWNOBZJWSA-N 2 1 244.342 1.590 20 0 BDADMP CC(C)[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000708901368 712203150 /nfs/dbraw/zinc/20/31/50/712203150.db2.gz WDFJKBFVZWAUOM-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000708901368 712203153 /nfs/dbraw/zinc/20/31/53/712203153.db2.gz WDFJKBFVZWAUOM-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(C)CC1)[NH2+]2 ZINC000709284684 712218995 /nfs/dbraw/zinc/21/89/95/712218995.db2.gz NZZWAXHLMVXJPK-DEQVHRJGSA-N 2 1 237.391 1.199 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CCCO1)C2 ZINC000709828352 712228641 /nfs/dbraw/zinc/22/86/41/712228641.db2.gz UVODKOZETDKPGE-RNJOBUHISA-N 2 1 224.348 1.367 20 0 BDADMP C(COC1CCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000709845019 712229394 /nfs/dbraw/zinc/22/93/94/712229394.db2.gz YWGISGOMZOBEOR-QWHCGFSZSA-N 2 1 238.375 1.772 20 0 BDADMP C(COC1CCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000709845017 712229496 /nfs/dbraw/zinc/22/94/96/712229496.db2.gz YWGISGOMZOBEOR-OLZOCXBDSA-N 2 1 238.375 1.772 20 0 BDADMP c1cc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)sn1 ZINC000709867806 712230032 /nfs/dbraw/zinc/23/00/32/712230032.db2.gz FHHVGXIJVIOPPM-MNSQCTGESA-N 2 1 249.383 1.272 20 0 BDADMP FC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000711440773 712301047 /nfs/dbraw/zinc/30/10/47/712301047.db2.gz FSIJNIIUDSPBIY-RYUDHWBXSA-N 2 1 214.328 1.668 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CC[NH2+]C1 ZINC000711562777 712310566 /nfs/dbraw/zinc/31/05/66/712310566.db2.gz UOAUMMCZEVAEOQ-GRYCIOLGSA-N 2 1 226.389 1.281 20 0 BDADMP C[C@@H]1CN[C@@H](C)[C@H](C)[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923435003 712322372 /nfs/dbraw/zinc/32/23/72/712322372.db2.gz CUNQWPPCVADDEK-SJHCENCUSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711783845 712329418 /nfs/dbraw/zinc/32/94/18/712329418.db2.gz BOZDMWNANXTNAS-GRYCIOLGSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@@H]21 ZINC000379560422 712388243 /nfs/dbraw/zinc/38/82/43/712388243.db2.gz ROBDBEUHZVSAAJ-KXNHARMFSA-N 2 1 208.349 1.702 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000712622705 712438791 /nfs/dbraw/zinc/43/87/91/712438791.db2.gz YLNOUYDEARIPOA-NSHDSACASA-N 2 1 214.353 1.330 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000713428022 712459920 /nfs/dbraw/zinc/45/99/20/712459920.db2.gz CXFZEKILGPYDBG-SECBINFHSA-N 2 1 240.269 1.584 20 0 BDADMP Cc1nocc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000713469522 712461228 /nfs/dbraw/zinc/46/12/28/712461228.db2.gz AIPYSDXPIZMEDY-UHFFFAOYSA-N 2 1 223.320 1.685 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000713749525 712471211 /nfs/dbraw/zinc/47/12/11/712471211.db2.gz QQLUNSIUBFGHFI-RDFMZFSFSA-N 2 1 235.375 1.098 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000714604582 712488300 /nfs/dbraw/zinc/48/83/00/712488300.db2.gz LMBVROWBLNVCDZ-YEORSEQZSA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000715115878 712510493 /nfs/dbraw/zinc/51/04/93/712510493.db2.gz QYAMETMYWMYPKB-RYUDHWBXSA-N 2 1 242.363 1.069 20 0 BDADMP Cc1cn[nH]c1C[N@@H+](C)CCCCCC[NH3+] ZINC000715445480 712519255 /nfs/dbraw/zinc/51/92/55/712519255.db2.gz DYAVDGSKPYXZDS-UHFFFAOYSA-N 2 1 224.352 1.669 20 0 BDADMP Cc1c[nH]nc1C[N@H+](C)CCCCCC[NH3+] ZINC000715445480 712519256 /nfs/dbraw/zinc/51/92/56/712519256.db2.gz DYAVDGSKPYXZDS-UHFFFAOYSA-N 2 1 224.352 1.669 20 0 BDADMP Cc1c[nH]nc1C[N@@H+](C)CCCCCC[NH3+] ZINC000715445480 712519257 /nfs/dbraw/zinc/51/92/57/712519257.db2.gz DYAVDGSKPYXZDS-UHFFFAOYSA-N 2 1 224.352 1.669 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715480213 712520631 /nfs/dbraw/zinc/52/06/31/712520631.db2.gz JBCGFTAWRBOKAI-KGLIPLIRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC[C@H]1[NH3+] ZINC000715479646 712520654 /nfs/dbraw/zinc/52/06/54/712520654.db2.gz HWNYQVHBMHWCHG-CABNGKKXSA-N 2 1 238.375 1.613 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715480215 712520867 /nfs/dbraw/zinc/52/08/67/712520867.db2.gz JBCGFTAWRBOKAI-ZIAGYGMSSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715509176 712524246 /nfs/dbraw/zinc/52/42/46/712524246.db2.gz MIUQNUNEVZQLKV-IACUBPJLSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715560374 712528226 /nfs/dbraw/zinc/52/82/26/712528226.db2.gz BLKSOUDDHNYKOP-BLYZHGLHSA-N 3 1 239.407 1.589 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716295175 712553608 /nfs/dbraw/zinc/55/36/08/712553608.db2.gz RAQYSWSGQQRRSG-QWHCGFSZSA-N 2 1 238.375 1.616 20 0 BDADMP CCC[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716815748 712576558 /nfs/dbraw/zinc/57/65/58/712576558.db2.gz TYQXRXSZISWNDF-RLAWYHOSSA-N 2 1 240.391 1.752 20 0 BDADMP CC[C@@H](C[C@@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716841476 712577874 /nfs/dbraw/zinc/57/78/74/712577874.db2.gz DZSKUICJAMFLSU-YJBUHQLJSA-N 2 1 240.391 1.751 20 0 BDADMP CNc1cc(N[C@H](C)C[N@H+](C)C(C)C)nc[nH+]1 ZINC000379985859 712644078 /nfs/dbraw/zinc/64/40/78/712644078.db2.gz QWEMXERKOYVFCK-SNVBAGLBSA-N 2 1 237.351 1.659 20 0 BDADMP CNc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc[nH+]1 ZINC000379985859 712644080 /nfs/dbraw/zinc/64/40/80/712644080.db2.gz QWEMXERKOYVFCK-SNVBAGLBSA-N 2 1 237.351 1.659 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717613951 712662460 /nfs/dbraw/zinc/66/24/60/712662460.db2.gz JQMXOKUVNIQWOD-SDDRHHMPSA-N 2 1 226.364 1.532 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC(=O)N1CCCC1 ZINC000380026480 712683180 /nfs/dbraw/zinc/68/31/80/712683180.db2.gz FKWYNXPHFWYVEK-UHFFFAOYSA-N 2 1 241.379 1.060 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717962208 712735868 /nfs/dbraw/zinc/73/58/68/712735868.db2.gz XVNMCQVULXXAAX-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1[C@H](Nc2cc[nH+]cc2Cl)CC[N@@H+]1C ZINC000719570477 712810905 /nfs/dbraw/zinc/81/09/05/712810905.db2.gz OMWBHBSCMFWKBX-PSASIEDQSA-N 2 1 225.723 1.661 20 0 BDADMP C[C@@H]1[C@H](Nc2cc[nH+]cc2Cl)CC[N@H+]1C ZINC000719570477 712810908 /nfs/dbraw/zinc/81/09/08/712810908.db2.gz OMWBHBSCMFWKBX-PSASIEDQSA-N 2 1 225.723 1.661 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1C ZINC000719611177 712816712 /nfs/dbraw/zinc/81/67/12/712816712.db2.gz DTGJHFIEKIQCIM-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1C ZINC000719611177 712816714 /nfs/dbraw/zinc/81/67/14/712816714.db2.gz DTGJHFIEKIQCIM-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1C ZINC000719611177 712816716 /nfs/dbraw/zinc/81/67/16/712816716.db2.gz DTGJHFIEKIQCIM-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1C ZINC000719611177 712816718 /nfs/dbraw/zinc/81/67/18/712816718.db2.gz DTGJHFIEKIQCIM-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1C ZINC000719611177 712816719 /nfs/dbraw/zinc/81/67/19/712816719.db2.gz DTGJHFIEKIQCIM-XJFOESAGSA-N 2 1 237.391 1.295 20 0 BDADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000719649014 712820804 /nfs/dbraw/zinc/82/08/04/712820804.db2.gz SDOPBEGBXYCUBE-OCCSQVGLSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(C)[C@@H]2C)CC1 ZINC000719649014 712820805 /nfs/dbraw/zinc/82/08/05/712820805.db2.gz SDOPBEGBXYCUBE-OCCSQVGLSA-N 2 1 239.407 1.543 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000720387979 712837796 /nfs/dbraw/zinc/83/77/96/712837796.db2.gz AAVVJIWRCLGENN-MFKMUULPSA-N 2 1 237.347 1.932 20 0 BDADMP Cc1conc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000720387979 712837797 /nfs/dbraw/zinc/83/77/97/712837797.db2.gz AAVVJIWRCLGENN-MFKMUULPSA-N 2 1 237.347 1.932 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(C)nn1 ZINC000720581997 712854386 /nfs/dbraw/zinc/85/43/86/712854386.db2.gz IQRONOCCVUBYCU-ZWNOBZJWSA-N 2 1 234.347 1.405 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(C)nn1 ZINC000720581997 712854387 /nfs/dbraw/zinc/85/43/87/712854387.db2.gz IQRONOCCVUBYCU-ZWNOBZJWSA-N 2 1 234.347 1.405 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000720876199 712872587 /nfs/dbraw/zinc/87/25/87/712872587.db2.gz ZJNNZLKODSESOO-AVGNSLFASA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000720876200 712872681 /nfs/dbraw/zinc/87/26/81/712872681.db2.gz ZJNNZLKODSESOO-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720875883 712873044 /nfs/dbraw/zinc/87/30/44/712873044.db2.gz XYCXBTIIDFWRDX-MQLXINIDSA-N 2 1 238.375 1.613 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720875841 712873098 /nfs/dbraw/zinc/87/30/98/712873098.db2.gz XOGANUQSBBYDFX-ZDEQEGDKSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720893517 712875956 /nfs/dbraw/zinc/87/59/56/712875956.db2.gz KWTKOEYHYGOFJZ-ZOBORPQBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000720893517 712875958 /nfs/dbraw/zinc/87/59/58/712875958.db2.gz KWTKOEYHYGOFJZ-ZOBORPQBSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000720893517 712875959 /nfs/dbraw/zinc/87/59/59/712875959.db2.gz KWTKOEYHYGOFJZ-ZOBORPQBSA-N 2 1 237.391 1.010 20 0 BDADMP C[NH+](C)CC1CCN(c2[nH+]cccc2N)CC1 ZINC000042393075 721943754 /nfs/dbraw/zinc/94/37/54/721943754.db2.gz JHBVUAIVEMUPFK-UHFFFAOYSA-N 2 1 234.347 1.442 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCCO2)CCC1(F)F ZINC000403139182 958406451 /nfs/dbraw/zinc/40/64/51/958406451.db2.gz CNDINYILDCBGOM-UWVGGRQHSA-N 2 1 234.290 1.081 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCC1(F)F ZINC000403139182 958406457 /nfs/dbraw/zinc/40/64/57/958406457.db2.gz CNDINYILDCBGOM-UWVGGRQHSA-N 2 1 234.290 1.081 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)C[NH2+]1 ZINC000398962410 958459913 /nfs/dbraw/zinc/45/99/13/958459913.db2.gz NXDZCYAVUYTQQW-YFKTTZPYSA-N 2 1 212.337 1.020 20 0 BDADMP CCSC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399174202 958554360 /nfs/dbraw/zinc/55/43/60/958554360.db2.gz HHVHXTVTVCUBAI-LLVKDONJSA-N 2 1 246.420 1.174 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000724151675 958740636 /nfs/dbraw/zinc/74/06/36/958740636.db2.gz ITGZJIIIITWSOD-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693566194 958858521 /nfs/dbraw/zinc/85/85/21/958858521.db2.gz BTEBOMPMHNZKTJ-GMXVVIOVSA-N 2 1 219.332 1.812 20 0 BDADMP Cc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)c[nH]1 ZINC000724777875 959443700 /nfs/dbraw/zinc/44/37/00/959443700.db2.gz LUXCNZWVLQUXQM-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000300383654 959802093 /nfs/dbraw/zinc/80/20/93/959802093.db2.gz IAHRQFRXXMJXGQ-SDDRHHMPSA-N 2 1 246.420 1.173 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccncn2)C1 ZINC000309332234 959850153 /nfs/dbraw/zinc/85/01/53/959850153.db2.gz JCGHEYGSJHBDRS-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000694851572 960015622 /nfs/dbraw/zinc/01/56/22/960015622.db2.gz KOBDBRHKSAIDMH-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC(C)(CN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925633466 960484127 /nfs/dbraw/zinc/48/41/27/960484127.db2.gz XERHIRWTRULWLL-GFCCVEGCSA-N 2 1 239.407 1.448 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2ccncc2F)CC1 ZINC001222532392 960681738 /nfs/dbraw/zinc/68/17/38/960681738.db2.gz LGSLPQQTOFOATN-UHFFFAOYSA-N 2 1 241.285 1.484 20 0 BDADMP CC[C@@H](CNC(=O)CC[N@@H+](C)CC)[NH2+]C(C)C ZINC001269491112 962687272 /nfs/dbraw/zinc/68/72/72/962687272.db2.gz BUDZBCGTFZWQOS-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](CC2(C)CCOCC2)C1 ZINC001204763143 963372334 /nfs/dbraw/zinc/37/23/34/963372334.db2.gz HGUVEDWZEROFCQ-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP CC[N@@H+](CCC(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000689059365 963686011 /nfs/dbraw/zinc/68/60/11/963686011.db2.gz DTORRRIGOBKMOE-DTORHVGOSA-N 2 1 224.270 1.998 20 0 BDADMP COC[C@H]1CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315499 964427561 /nfs/dbraw/zinc/42/75/61/964427561.db2.gz WTVMBTQQLWGYJO-JXQTWKCFSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+]1CCCC[C@H]1CO[C@@H]1CCC[N@H+](C)C1 ZINC001224701145 964886395 /nfs/dbraw/zinc/88/63/95/964886395.db2.gz CZBUEFKQVDPKJK-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224701145 964886407 /nfs/dbraw/zinc/88/64/07/964886407.db2.gz CZBUEFKQVDPKJK-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224701145 964886416 /nfs/dbraw/zinc/88/64/16/964886416.db2.gz CZBUEFKQVDPKJK-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+](CC)CCO[C@@H](C)C[NH+]1CCOCC1 ZINC001224928888 965103805 /nfs/dbraw/zinc/10/38/05/965103805.db2.gz XMCHWYVMCPIUMH-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C)C1 ZINC001224921924 965090645 /nfs/dbraw/zinc/09/06/45/965090645.db2.gz BKYDHJUNGBUZCO-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1COC[C@H]1C ZINC000699625631 966010468 /nfs/dbraw/zinc/01/04/68/966010468.db2.gz HGIXABOAYYMJEX-ZYHUDNBSSA-N 2 1 223.320 1.206 20 0 BDADMP CC(C)[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001484758000 966513858 /nfs/dbraw/zinc/51/38/58/966513858.db2.gz ZEDCDRWMKMWNHR-UHFFFAOYSA-N 2 1 243.395 1.127 20 0 BDADMP CCOC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380657 966653625 /nfs/dbraw/zinc/65/36/25/966653625.db2.gz GQCMYQMRKOZTMV-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380657 966653641 /nfs/dbraw/zinc/65/36/41/966653641.db2.gz GQCMYQMRKOZTMV-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[N@H+](C)C2)C1 ZINC000715582264 967195470 /nfs/dbraw/zinc/19/54/70/967195470.db2.gz YNLBBUOBMVUPSU-MELADBBJSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000715582264 967195481 /nfs/dbraw/zinc/19/54/81/967195481.db2.gz YNLBBUOBMVUPSU-MELADBBJSA-N 2 1 239.407 1.543 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2nccs2)CC1 ZINC001205546349 967692853 /nfs/dbraw/zinc/69/28/53/967692853.db2.gz UGSAHQQQUCRDGE-NSHDSACASA-N 2 1 243.351 1.796 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCCCO)CCC1(F)F ZINC001205734719 967810172 /nfs/dbraw/zinc/81/01/72/967810172.db2.gz GXUMOXLAEUVUEN-SNVBAGLBSA-N 2 1 236.306 1.065 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cocn2)CCC[C@@H]1C[NH3+] ZINC001206004471 967955224 /nfs/dbraw/zinc/95/52/24/967955224.db2.gz SMXZPYVCLIJXRK-WDEREUQCSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC001206305250 968213604 /nfs/dbraw/zinc/21/36/04/968213604.db2.gz XGIUQCDLUSDLCI-LBPRGKRZSA-N 2 1 222.336 1.361 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]cn2)CC1 ZINC001206305250 968213615 /nfs/dbraw/zinc/21/36/15/968213615.db2.gz XGIUQCDLUSDLCI-LBPRGKRZSA-N 2 1 222.336 1.361 20 0 BDADMP NC[C@@]1(F)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206336053 968240052 /nfs/dbraw/zinc/24/00/52/968240052.db2.gz JVBZHXPLODLCOA-ZDUSSCGKSA-N 2 1 243.370 1.139 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206336053 968240060 /nfs/dbraw/zinc/24/00/60/968240060.db2.gz JVBZHXPLODLCOA-ZDUSSCGKSA-N 3 1 243.370 1.139 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206336053 968240078 /nfs/dbraw/zinc/24/00/78/968240078.db2.gz JVBZHXPLODLCOA-ZDUSSCGKSA-N 3 1 243.370 1.139 20 0 BDADMP CCCC[C@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001252076006 968494068 /nfs/dbraw/zinc/49/40/68/968494068.db2.gz GTVLMULSLXVGGA-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[C@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001252076006 968494076 /nfs/dbraw/zinc/49/40/76/968494076.db2.gz GTVLMULSLXVGGA-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001252087516 968507631 /nfs/dbraw/zinc/50/76/31/968507631.db2.gz CZEOKNOBCBZGFG-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001207402306 968749456 /nfs/dbraw/zinc/74/94/56/968749456.db2.gz YCLGOWSQVDEAJT-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001207435923 968769609 /nfs/dbraw/zinc/76/96/09/968769609.db2.gz OGYYMRNKYWRGQC-TXEJJXNPSA-N 2 1 222.332 1.182 20 0 BDADMP CN(C1CC1)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207440894 968773280 /nfs/dbraw/zinc/77/32/80/968773280.db2.gz JWIFHMJKSYIODR-AWEZNQCLSA-N 2 1 237.391 1.155 20 0 BDADMP COC[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108034 968988202 /nfs/dbraw/zinc/98/82/02/968988202.db2.gz NPOIRASKDHKEPR-ZDUSSCGKSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CC[C@@H]1O ZINC001208107055 968996216 /nfs/dbraw/zinc/99/62/16/968996216.db2.gz IXDVPQDIJWMULV-OLZOCXBDSA-N 2 1 240.391 1.421 20 0 BDADMP CN(C)CC[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208105056 968999280 /nfs/dbraw/zinc/99/92/80/968999280.db2.gz RVUDWMMVVDUBGB-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](F)CC1 ZINC001253180379 969103531 /nfs/dbraw/zinc/10/35/31/969103531.db2.gz BNEFCVHGCKATMW-CHWSQXEVSA-N 2 1 246.370 1.513 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](F)CC1 ZINC001253180379 969103537 /nfs/dbraw/zinc/10/35/37/969103537.db2.gz BNEFCVHGCKATMW-CHWSQXEVSA-N 2 1 246.370 1.513 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](F)CC1 ZINC001253180381 969101270 /nfs/dbraw/zinc/10/12/70/969101270.db2.gz BNEFCVHGCKATMW-QWHCGFSZSA-N 2 1 246.370 1.513 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001253193743 969107152 /nfs/dbraw/zinc/10/71/52/969107152.db2.gz ILQQBOYUBLKXQB-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001253193743 969107160 /nfs/dbraw/zinc/10/71/60/969107160.db2.gz ILQQBOYUBLKXQB-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@H]3OCC[C@H]32)C1 ZINC001208607601 969160032 /nfs/dbraw/zinc/16/00/32/969160032.db2.gz LQRFSUACTKULFN-JHJVBQTASA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H]3OCC[C@H]32)C1 ZINC001208607601 969160034 /nfs/dbraw/zinc/16/00/34/969160034.db2.gz LQRFSUACTKULFN-JHJVBQTASA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H]3OCC[C@H]32)C1 ZINC001208607601 969160040 /nfs/dbraw/zinc/16/00/40/969160040.db2.gz LQRFSUACTKULFN-JHJVBQTASA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H]3OCC[C@H]32)C1 ZINC001208607601 969160050 /nfs/dbraw/zinc/16/00/50/969160050.db2.gz LQRFSUACTKULFN-JHJVBQTASA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](O)[C@@H](F)CC2)C1 ZINC001208607278 969163924 /nfs/dbraw/zinc/16/39/24/969163924.db2.gz LHTQJTXXEDVXMC-AVGNSLFASA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)C1 ZINC001208607278 969163928 /nfs/dbraw/zinc/16/39/28/969163928.db2.gz LHTQJTXXEDVXMC-AVGNSLFASA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H](O)[C@@H](F)CC2)C1 ZINC001208607278 969163935 /nfs/dbraw/zinc/16/39/35/969163935.db2.gz LHTQJTXXEDVXMC-AVGNSLFASA-N 2 1 244.354 1.123 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC001208612581 969168387 /nfs/dbraw/zinc/16/83/87/969168387.db2.gz CQIJGYFUHSAGMV-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209067926 969345871 /nfs/dbraw/zinc/34/58/71/969345871.db2.gz LBICUJDTVMITKR-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP CCOC(C)(C)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209067926 969345878 /nfs/dbraw/zinc/34/58/78/969345878.db2.gz LBICUJDTVMITKR-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP CCOC(C)(C)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001209067926 969345883 /nfs/dbraw/zinc/34/58/83/969345883.db2.gz LBICUJDTVMITKR-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP Cc1cnc(CN)n1-c1cc(C)nc(C)n1 ZINC001169022422 969365419 /nfs/dbraw/zinc/36/54/19/969365419.db2.gz QVTNTBXFCWSTOW-UHFFFAOYSA-N 2 1 217.276 1.046 20 0 BDADMP CO[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125964 969426409 /nfs/dbraw/zinc/42/64/09/969426409.db2.gz OHWXEICBXIAGAY-RNJOBUHISA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125964 969426413 /nfs/dbraw/zinc/42/64/13/969426413.db2.gz OHWXEICBXIAGAY-RNJOBUHISA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125964 969426417 /nfs/dbraw/zinc/42/64/17/969426417.db2.gz OHWXEICBXIAGAY-RNJOBUHISA-N 2 1 224.348 1.332 20 0 BDADMP COC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109047 969445912 /nfs/dbraw/zinc/44/59/12/969445912.db2.gz HBRKLHSCNUHNKV-YFKTTZPYSA-N 2 1 240.347 1.153 20 0 BDADMP CCN1CCC([N@H+]2C[C@H](CO)CC[C@@H]2C)CC1 ZINC001169246218 969536231 /nfs/dbraw/zinc/53/62/31/969536231.db2.gz PPANYBMJHWQXPF-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@H](CO)CC[C@@H]2C)CC1 ZINC001169246218 969536246 /nfs/dbraw/zinc/53/62/46/969536246.db2.gz PPANYBMJHWQXPF-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@H](CO)CC[C@@H]2C)CC1 ZINC001169246218 969536253 /nfs/dbraw/zinc/53/62/53/969536253.db2.gz PPANYBMJHWQXPF-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP CC1CC([N@H+](C)Cc2c[nH+]ccc2N)C1 ZINC001209728087 969582688 /nfs/dbraw/zinc/58/26/88/969582688.db2.gz CSKZAMGDDCWCAC-UHFFFAOYSA-N 2 1 205.305 1.724 20 0 BDADMP CC1CC([N@@H+](C)Cc2c[nH+]ccc2N)C1 ZINC001209728087 969582697 /nfs/dbraw/zinc/58/26/97/969582697.db2.gz CSKZAMGDDCWCAC-UHFFFAOYSA-N 2 1 205.305 1.724 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[NH+](C)CC1 ZINC001254499970 969658201 /nfs/dbraw/zinc/65/82/01/969658201.db2.gz QTKGHTAOSPADGN-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CCC[N@H+](C)CC1 ZINC001254499970 969658210 /nfs/dbraw/zinc/65/82/10/969658210.db2.gz QTKGHTAOSPADGN-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CCC[N@@H+](C)CC1 ZINC001254499970 969658218 /nfs/dbraw/zinc/65/82/18/969658218.db2.gz QTKGHTAOSPADGN-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP C[C@@H]([NH3+])c1ccn([C@H]2CCC[N@@H+](C)CC2)n1 ZINC001254506011 969672429 /nfs/dbraw/zinc/67/24/29/969672429.db2.gz NLRCCNDLGTWHEM-MNOVXSKESA-N 2 1 222.336 1.560 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCOC(C)(C)C2)CC1 ZINC001254515669 969688509 /nfs/dbraw/zinc/68/85/09/969688509.db2.gz ANXAPBOVIOEDRD-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCOC(C)(C)C2)CC1 ZINC001254515669 969688515 /nfs/dbraw/zinc/68/85/15/969688515.db2.gz ANXAPBOVIOEDRD-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCOC(C)(C)C2)CC1 ZINC001254515669 969688519 /nfs/dbraw/zinc/68/85/19/969688519.db2.gz ANXAPBOVIOEDRD-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCOC(C)(C)C2)CC1 ZINC001254515669 969688522 /nfs/dbraw/zinc/68/85/22/969688522.db2.gz ANXAPBOVIOEDRD-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+]([C@H]1CCOC1)[C@H]1CCC[NH+](C)CC1 ZINC001254522050 969695453 /nfs/dbraw/zinc/69/54/53/969695453.db2.gz BCOUGOBFKZCYOA-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]([C@H]1CCOC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522050 969695464 /nfs/dbraw/zinc/69/54/64/969695464.db2.gz BCOUGOBFKZCYOA-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]([C@H]1CCOC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522050 969695471 /nfs/dbraw/zinc/69/54/71/969695471.db2.gz BCOUGOBFKZCYOA-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517354 969699271 /nfs/dbraw/zinc/69/92/71/969699271.db2.gz URQINRJUQIHFIY-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254517354 969699280 /nfs/dbraw/zinc/69/92/80/969699280.db2.gz URQINRJUQIHFIY-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517354 969699287 /nfs/dbraw/zinc/69/92/87/969699287.db2.gz URQINRJUQIHFIY-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CC(C(F)F)C2)CC1 ZINC001254534248 969728010 /nfs/dbraw/zinc/72/80/10/969728010.db2.gz UZFPCQNFJPUUOO-SNVBAGLBSA-N 2 1 218.291 1.668 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC(C(F)F)C2)CC1 ZINC001254534248 969728014 /nfs/dbraw/zinc/72/80/14/969728014.db2.gz UZFPCQNFJPUUOO-SNVBAGLBSA-N 2 1 218.291 1.668 20 0 BDADMP CC[N@@H+](C)C1CCN([C@H]2CC[NH+](C)C2)CC1 ZINC001255442552 970176414 /nfs/dbraw/zinc/17/64/14/970176414.db2.gz XXFOAITWDUWPAU-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](C)C1CCN([C@H]2CC[N@H+](C)C2)CC1 ZINC001255442552 970176419 /nfs/dbraw/zinc/17/64/19/970176419.db2.gz XXFOAITWDUWPAU-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+](C)C1CCN([C@H]2CC[N@@H+](C)C2)CC1 ZINC001255442552 970176431 /nfs/dbraw/zinc/17/64/31/970176431.db2.gz XXFOAITWDUWPAU-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)COC)C[C@@H]2C1 ZINC001255582932 970388527 /nfs/dbraw/zinc/38/85/27/970388527.db2.gz FCMQKXMUKNAGKQ-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCOC ZINC001255954941 970587815 /nfs/dbraw/zinc/58/78/15/970587815.db2.gz LHYXPXWTFIOWGM-LBPRGKRZSA-N 2 1 216.369 1.685 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC001255956498 970592982 /nfs/dbraw/zinc/59/29/82/970592982.db2.gz KUHREPAXKKQSCK-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H](O)CC[C@H]1C ZINC001255956007 970594978 /nfs/dbraw/zinc/59/49/78/970594978.db2.gz FOZBWKRBFPCVJB-MCIONIFRSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@H]1CO ZINC001255955911 970597424 /nfs/dbraw/zinc/59/74/24/970597424.db2.gz XQBCWCWUIFBMBY-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CN1CCC([N@H+]2CCC[C@H](CF)C2)CC1 ZINC001256207570 970708279 /nfs/dbraw/zinc/70/82/79/970708279.db2.gz NNMAPNYFRNTIIO-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@H](CF)C2)CC1 ZINC001256207570 970708288 /nfs/dbraw/zinc/70/82/88/970708288.db2.gz NNMAPNYFRNTIIO-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@H](CF)C2)CC1 ZINC001256207570 970708301 /nfs/dbraw/zinc/70/83/01/970708301.db2.gz NNMAPNYFRNTIIO-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP CCO[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001256210949 970719938 /nfs/dbraw/zinc/71/99/38/970719938.db2.gz OIBBWDVAZMAGLK-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP CCO[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256210949 970719958 /nfs/dbraw/zinc/71/99/58/970719958.db2.gz OIBBWDVAZMAGLK-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP CCO[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256210949 970719970 /nfs/dbraw/zinc/71/99/70/970719970.db2.gz OIBBWDVAZMAGLK-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401838315 970740155 /nfs/dbraw/zinc/74/01/55/970740155.db2.gz MKBXWCKNIQRAST-RYUDHWBXSA-N 2 1 223.320 1.120 20 0 BDADMP CC[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC001332422559 975109680 /nfs/dbraw/zinc/10/96/80/975109680.db2.gz XIKDEMKVQWDCFV-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001173625749 975487508 /nfs/dbraw/zinc/48/75/08/975487508.db2.gz FFXJPKYTPOZKEZ-MNOVXSKESA-N 2 1 242.363 1.435 20 0 BDADMP C[C@@](O)(C[NH2+][C@H]1C[C@@H]([NH+]2CCCC2)C1)C(F)F ZINC001335520800 977115674 /nfs/dbraw/zinc/11/56/74/977115674.db2.gz VUTLMEJVFDHAQO-JFGNBEQYSA-N 2 1 248.317 1.219 20 0 BDADMP C[NH+]1CC2(C1)CCCN(C1CC[NH+](C)CC1)C2 ZINC001277624891 977909015 /nfs/dbraw/zinc/90/90/15/977909015.db2.gz LGYHLZQIYFKNCC-UHFFFAOYSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234285 979002980 /nfs/dbraw/zinc/00/29/80/979002980.db2.gz XEQOVNRATUCTLA-AAEUAGOBSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@@H+](CCCC[NH3+])Cc1ccc(Cl)nc1 ZINC001235962217 979231166 /nfs/dbraw/zinc/23/11/66/979231166.db2.gz HUSHFAIZYBTRJW-UHFFFAOYSA-N 2 1 227.739 1.906 20 0 BDADMP CCCC[C@H]1C[N@@H+](CCCCC[NH3+])CCN1 ZINC001236134819 979401125 /nfs/dbraw/zinc/40/11/25/979401125.db2.gz HGCVYRYCCJPMRY-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP CCC[N@@H+](CCCCO)CCC[NH+](C)C ZINC001236323240 979535520 /nfs/dbraw/zinc/53/55/20/979535520.db2.gz ZNMNWSCBCGPWCC-UHFFFAOYSA-N 2 1 216.369 1.423 20 0 BDADMP C[N@H+]1CCC2(CN(CC[NH+]3CCCCC3)C2)C1 ZINC001278147058 980050770 /nfs/dbraw/zinc/05/07/70/980050770.db2.gz UCLZUJRWPZNSHG-UHFFFAOYSA-N 2 1 237.391 1.110 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc[nH]n2)CC1 ZINC001205545353 980945894 /nfs/dbraw/zinc/94/58/94/980945894.db2.gz DWEWGEBEBCEIJL-LLVKDONJSA-N 2 1 226.299 1.063 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)no1 ZINC001205546872 980953220 /nfs/dbraw/zinc/95/32/20/980953220.db2.gz YZEIHIYHARIMSY-LBPRGKRZSA-N 2 1 241.310 1.636 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001205807116 982574125 /nfs/dbraw/zinc/57/41/25/982574125.db2.gz YAVAFCARIQLJSA-GXTWGEPZSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])N(CCC2CC[NH2+]CC2)C1 ZINC001205807116 982574135 /nfs/dbraw/zinc/57/41/35/982574135.db2.gz YAVAFCARIQLJSA-GXTWGEPZSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001199842935 983027270 /nfs/dbraw/zinc/02/72/70/983027270.db2.gz JNRWPRJZKMAPQZ-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP COC/C(C)=C\C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001354710019 983346835 /nfs/dbraw/zinc/34/68/35/983346835.db2.gz OAHHNEVWTDASEU-SVSAJMPUSA-N 2 1 240.391 1.995 20 0 BDADMP CCCCCC[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001201756567 983458262 /nfs/dbraw/zinc/45/82/62/983458262.db2.gz NGEBPFNMAOEBSX-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP C[NH2+][C@H](C)CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001331835603 974833203 /nfs/dbraw/zinc/83/32/03/974833203.db2.gz RKVOUMWKYRZVJJ-IJLUTSLNSA-N 2 1 225.380 1.199 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2ccnc(F)c2)CC1 ZINC001222539302 972552313 /nfs/dbraw/zinc/55/23/13/972552313.db2.gz WJIWATCUCTWUDM-UHFFFAOYSA-N 2 1 241.285 1.484 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000125139762 972665957 /nfs/dbraw/zinc/66/59/57/972665957.db2.gz JRCSPFCDEYIWIL-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@H+]1CC[C@@H](OCC2CC[NH+](C)CC2)C1 ZINC001224449905 973653771 /nfs/dbraw/zinc/65/37/71/973653771.db2.gz KNGKRUHYIAVZOE-GFCCVEGCSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H](Cc1ccccn1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001256404141 970810494 /nfs/dbraw/zinc/81/04/94/970810494.db2.gz FIQCBENNKUYOFI-NWDGAFQWSA-N 2 1 221.348 1.539 20 0 BDADMP CC(C)(C)[NH+]1CCC([NH2+]CC2OCCO2)CC1 ZINC001256562216 970862289 /nfs/dbraw/zinc/86/22/89/970862289.db2.gz MWRJGMCLESSABU-UHFFFAOYSA-N 2 1 242.363 1.212 20 0 BDADMP CC[NH+](CC)C1CCC([N@@H+](C)C[C@H](C)N)CC1 ZINC001246982511 973758157 /nfs/dbraw/zinc/75/81/57/973758157.db2.gz XDLCUEBZNHWTLO-HSBZDZAISA-N 2 1 241.423 1.918 20 0 BDADMP CC[NH+](CC)C1CCC(N(C)C[C@H](C)[NH3+])CC1 ZINC001246982511 973758174 /nfs/dbraw/zinc/75/81/74/973758174.db2.gz XDLCUEBZNHWTLO-HSBZDZAISA-N 2 1 241.423 1.918 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628316 970894218 /nfs/dbraw/zinc/89/42/18/970894218.db2.gz AJBVOQUIMZROFI-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628316 970894222 /nfs/dbraw/zinc/89/42/22/970894222.db2.gz AJBVOQUIMZROFI-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628316 970894227 /nfs/dbraw/zinc/89/42/27/970894227.db2.gz AJBVOQUIMZROFI-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628316 970894231 /nfs/dbraw/zinc/89/42/31/970894231.db2.gz AJBVOQUIMZROFI-SYCZCVCYSA-N 2 1 238.375 1.457 20 0 BDADMP CN([C@@H]1CC[N@@H+](C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628220 970894908 /nfs/dbraw/zinc/89/49/08/970894908.db2.gz WUWYPGFOVNOBBB-RBKKPWLPSA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628220 970894912 /nfs/dbraw/zinc/89/49/12/970894912.db2.gz WUWYPGFOVNOBBB-RBKKPWLPSA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628220 970894918 /nfs/dbraw/zinc/89/49/18/970894918.db2.gz WUWYPGFOVNOBBB-RBKKPWLPSA-N 2 1 237.391 1.248 20 0 BDADMP C[N@@H+](C1CC1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256688516 970920753 /nfs/dbraw/zinc/92/07/53/970920753.db2.gz CPPJBQCEEVRQSL-UHFFFAOYSA-N 2 1 238.375 1.724 20 0 BDADMP [NH3+]Cc1ncn([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC001256900770 971012204 /nfs/dbraw/zinc/01/22/04/971012204.db2.gz ATSCPJNPXYNRQO-GFCCVEGCSA-N 2 1 249.362 1.316 20 0 BDADMP [NH3+]Cc1ncn([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC001256900770 971012219 /nfs/dbraw/zinc/01/22/19/971012219.db2.gz ATSCPJNPXYNRQO-GFCCVEGCSA-N 2 1 249.362 1.316 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1C[C@H](C)O[C@@H](C)C1 ZINC001257073470 971089736 /nfs/dbraw/zinc/08/97/36/971089736.db2.gz OEJKRXPUJWGEHQ-QWRGUYRKSA-N 2 1 237.347 1.821 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC(=O)C2)CC1 ZINC001257209912 971124706 /nfs/dbraw/zinc/12/47/06/971124706.db2.gz CLGZTTYXSOTKFD-ZDUSSCGKSA-N 2 1 238.375 1.961 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001257214009 971127377 /nfs/dbraw/zinc/12/73/77/971127377.db2.gz YOMKAVVHUFNDMB-STQMWFEESA-N 2 1 244.354 1.264 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001257214009 971127380 /nfs/dbraw/zinc/12/73/80/971127380.db2.gz YOMKAVVHUFNDMB-STQMWFEESA-N 2 1 244.354 1.264 20 0 BDADMP COC[C@@H]1CCC[N@@H+]1C1CC[NH+](C(C)C)CC1 ZINC001257213143 971129162 /nfs/dbraw/zinc/12/91/62/971129162.db2.gz HRPOFCKWSIJUCG-AWEZNQCLSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@@H]1CCC[N@H+]1C1CC[NH+](C(C)C)CC1 ZINC001257213143 971129168 /nfs/dbraw/zinc/12/91/68/971129168.db2.gz HRPOFCKWSIJUCG-AWEZNQCLSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)N1CCC([N@H+]2CC[C@H](O)C[C@H]2C)CC1 ZINC001257217831 971135226 /nfs/dbraw/zinc/13/52/26/971135226.db2.gz PDEJDPZZVKOPIZ-OCCSQVGLSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](O)C[C@H]2C)CC1 ZINC001257217831 971135233 /nfs/dbraw/zinc/13/52/33/971135233.db2.gz PDEJDPZZVKOPIZ-OCCSQVGLSA-N 2 1 240.391 1.704 20 0 BDADMP CCC[C@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001257251814 971146085 /nfs/dbraw/zinc/14/60/85/971146085.db2.gz BNCIOCIKWSAREA-LBPRGKRZSA-N 2 1 216.369 1.469 20 0 BDADMP COC(C)(C)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000404297902 971152872 /nfs/dbraw/zinc/15/28/72/971152872.db2.gz FARLLONXRNDWJT-MNOVXSKESA-N 2 1 214.353 1.471 20 0 BDADMP [NH3+]CCCCCC[N@@H+](CCCO)C1CC1 ZINC000404353229 971157380 /nfs/dbraw/zinc/15/73/80/971157380.db2.gz FSCCVFIXVCRZBL-UHFFFAOYSA-N 2 1 214.353 1.352 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)C12CCC2 ZINC000405218053 971206353 /nfs/dbraw/zinc/20/63/53/971206353.db2.gz LFDMRAOXUGKMNK-CHWSQXEVSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)CC[N@H+]1C ZINC000405200767 971208835 /nfs/dbraw/zinc/20/88/35/971208835.db2.gz CPXSMZQDIUPCQD-LPWJVIDDSA-N 2 1 237.391 1.329 20 0 BDADMP CCc1ccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]c1 ZINC001170570782 971213312 /nfs/dbraw/zinc/21/33/12/971213312.db2.gz LBWSZUKMWIZDAP-JQWIXIFHSA-N 2 1 235.331 1.433 20 0 BDADMP C[C@H](Nc1cccn2cc[nH+]c12)[C@@H]1C[NH2+]CCO1 ZINC001170571808 971219688 /nfs/dbraw/zinc/21/96/88/971219688.db2.gz ZYANHAJGHZVQEV-JQWIXIFHSA-N 2 1 246.314 1.123 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccco2)C12CCC2 ZINC000405298103 971229968 /nfs/dbraw/zinc/22/99/68/971229968.db2.gz HDNZKNBEVKCAGI-WDEREUQCSA-N 2 1 206.289 1.639 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000405332827 971238629 /nfs/dbraw/zinc/23/86/29/971238629.db2.gz FAFPIMWRDKEKCN-HCWSGVFWSA-N 2 1 223.364 1.116 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405372252 971250431 /nfs/dbraw/zinc/25/04/31/971250431.db2.gz ZKDXYHSDCMIUEK-RWMBFGLXSA-N 2 1 239.407 1.576 20 0 BDADMP CCCCCC[C@@H](CC)[N@H+](CC[NH3+])CCO ZINC001170581868 971261031 /nfs/dbraw/zinc/26/10/31/971261031.db2.gz PWHCSYDTEPRFFF-CYBMUJFWSA-N 2 1 230.396 1.988 20 0 BDADMP CCCCCC[C@@H](CC)[N@@H+](CC[NH3+])CCO ZINC001170581868 971261039 /nfs/dbraw/zinc/26/10/39/971261039.db2.gz PWHCSYDTEPRFFF-CYBMUJFWSA-N 2 1 230.396 1.988 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC001257354381 971266647 /nfs/dbraw/zinc/26/66/47/971266647.db2.gz CMDAPJSCPFPSMN-DGCLKSJQSA-N 2 1 208.349 1.813 20 0 BDADMP CCCc1nnc([C@@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001217733608 971374720 /nfs/dbraw/zinc/37/47/20/971374720.db2.gz RWAOHTODPYQZLU-JTQLQIEISA-N 2 1 224.308 1.022 20 0 BDADMP Cc1nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o1 ZINC001217751782 971386401 /nfs/dbraw/zinc/38/64/01/971386401.db2.gz NHOXTSXRAHQNRO-JTQLQIEISA-N 2 1 226.324 1.546 20 0 BDADMP CN1CCC([N@@H+](C)[C@@H]2CCCSC2)CC1 ZINC001257667472 971467561 /nfs/dbraw/zinc/46/75/61/971467561.db2.gz DHWOSLKMDCVIPF-GFCCVEGCSA-N 2 1 228.405 1.908 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257682293 971486508 /nfs/dbraw/zinc/48/65/08/971486508.db2.gz WQNQFWSIEGGAOO-TUAOUCFPSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257682293 971486526 /nfs/dbraw/zinc/48/65/26/971486526.db2.gz WQNQFWSIEGGAOO-TUAOUCFPSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257682293 971486527 /nfs/dbraw/zinc/48/65/27/971486527.db2.gz WQNQFWSIEGGAOO-TUAOUCFPSA-N 2 1 226.389 1.375 20 0 BDADMP c1cn2c([nH+]1)CC[C@@H](OC[C@H]1CCC[NH2+]C1)C2 ZINC001217900415 971504560 /nfs/dbraw/zinc/50/45/60/971504560.db2.gz ZHGLTZQLOYPVOV-NWDGAFQWSA-N 2 1 235.331 1.214 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CCC2(COC2)CC1 ZINC001257896194 971530583 /nfs/dbraw/zinc/53/05/83/971530583.db2.gz JJUATVGHUKVUNM-UHFFFAOYSA-N 2 1 249.358 1.740 20 0 BDADMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCCC[NH3+] ZINC001217932992 971537299 /nfs/dbraw/zinc/53/72/99/971537299.db2.gz GHNWINCDUCUOSZ-GDNZZTSVSA-N 2 1 212.337 1.082 20 0 BDADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+](CC[NH3+])CCO ZINC001258051412 971573218 /nfs/dbraw/zinc/57/32/18/971573218.db2.gz KGUHQZLPOSSGHJ-OLZOCXBDSA-N 2 1 230.396 1.700 20 0 BDADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001258051412 971573229 /nfs/dbraw/zinc/57/32/29/971573229.db2.gz KGUHQZLPOSSGHJ-OLZOCXBDSA-N 2 1 230.396 1.700 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC[NH2+]CC1 ZINC001206152846 974235985 /nfs/dbraw/zinc/23/59/85/974235985.db2.gz BPJMOQGGYYZCSA-NWDGAFQWSA-N 3 1 243.370 1.137 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC[NH2+]CC1 ZINC001206152846 974235997 /nfs/dbraw/zinc/23/59/97/974235997.db2.gz BPJMOQGGYYZCSA-NWDGAFQWSA-N 3 1 243.370 1.137 20 0 BDADMP CC[N@H+]1CC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218213832 971634806 /nfs/dbraw/zinc/63/48/06/971634806.db2.gz KCJATYICQNLTOW-CYBMUJFWSA-N 2 1 220.316 1.618 20 0 BDADMP [NH3+]Cc1ccccc1O[C@H]1C[NH2+]CC1(F)F ZINC001218235189 971647938 /nfs/dbraw/zinc/64/79/38/971647938.db2.gz JLJNAWROKICVSC-JTQLQIEISA-N 2 1 228.242 1.131 20 0 BDADMP Nc1[nH]c2cc(O[C@@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC001218285308 971679099 /nfs/dbraw/zinc/67/90/99/971679099.db2.gz JKXNNMNUMBUULG-SECBINFHSA-N 2 1 232.287 1.276 20 0 BDADMP CC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100067 974347935 /nfs/dbraw/zinc/34/79/35/974347935.db2.gz MJGGDWDNFPIDTL-LPWJVIDDSA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172321524 974530480 /nfs/dbraw/zinc/53/04/80/974530480.db2.gz LDDFCIZUYYCGDD-GHMZBOCLSA-N 2 1 216.369 1.907 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCOCC1 ZINC001170827187 971929004 /nfs/dbraw/zinc/92/90/04/971929004.db2.gz JKCQZNCDYNJHSP-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C1C[NH+](C2CC[NH+]([C@@H]3CCCOCC3)CC2)C1 ZINC001170843312 971965586 /nfs/dbraw/zinc/96/55/86/971965586.db2.gz AWWJCDDVRZYFKM-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000311137183 971995532 /nfs/dbraw/zinc/99/55/32/971995532.db2.gz KOHCNNNVAUJUFD-HNNXBMFYSA-N 2 1 248.370 1.740 20 0 BDADMP Cc1cc2[nH]ccc2c(N[C@@H](N)CCC[NH3+])[nH+]1 ZINC001159785347 972113835 /nfs/dbraw/zinc/11/38/35/972113835.db2.gz PIUQZKFXBPAHAB-LLVKDONJSA-N 2 1 233.319 1.307 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246029014 972122268 /nfs/dbraw/zinc/12/22/68/972122268.db2.gz KUZZREQFALRXMS-AVGNSLFASA-N 2 1 246.370 1.689 20 0 BDADMP CCCC[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034091 972123432 /nfs/dbraw/zinc/12/34/32/972123432.db2.gz WQIRUVIQEIAJFR-KGLIPLIRSA-N 2 1 240.391 1.756 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034091 972123435 /nfs/dbraw/zinc/12/34/35/972123435.db2.gz WQIRUVIQEIAJFR-KGLIPLIRSA-N 2 1 240.391 1.756 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246079437 972134898 /nfs/dbraw/zinc/13/48/98/972134898.db2.gz FBKPHBFJRQBLID-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246079437 972134901 /nfs/dbraw/zinc/13/49/01/972134901.db2.gz FBKPHBFJRQBLID-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090615 972144161 /nfs/dbraw/zinc/14/41/61/972144161.db2.gz KVMKHWLIMDDWLU-JSGCOSHPSA-N 2 1 233.359 1.744 20 0 BDADMP Cc1cc(N2CC3(CC[N@@H+]3C)C2)cc[nH+]1 ZINC001277064439 974643086 /nfs/dbraw/zinc/64/30/86/974643086.db2.gz KSNQEFNXSDKPBC-UHFFFAOYSA-N 2 1 203.289 1.284 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246111616 972177536 /nfs/dbraw/zinc/17/75/36/972177536.db2.gz KSYQXIARTAISSM-REWJHTLYSA-N 3 1 239.407 1.352 20 0 BDADMP C1CC12C[NH2+]C[C@@H]2N[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246131428 972188396 /nfs/dbraw/zinc/18/83/96/972188396.db2.gz JWDQGGLXZYBEQF-STQMWFEESA-N 2 1 249.402 1.250 20 0 BDADMP C[C@@H]1CC[C@H](NCCCc2ccncc2)C[NH2+]1 ZINC001246177985 972207115 /nfs/dbraw/zinc/20/71/15/972207115.db2.gz XEWZQHSGJYTKCC-OCCSQVGLSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCc2ccncc2)C[NH2+]1 ZINC001246177985 972207123 /nfs/dbraw/zinc/20/71/23/972207123.db2.gz XEWZQHSGJYTKCC-OCCSQVGLSA-N 2 1 233.359 1.744 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCCC1 ZINC000692946854 956984205 /nfs/dbraw/zinc/98/42/05/956984205.db2.gz XEHBGXJFJDMMGH-IACUBPJLSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000705284639 957071299 /nfs/dbraw/zinc/07/12/99/957071299.db2.gz CHVBSTNGHBCKCU-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP COc1cncc(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246250288 972248969 /nfs/dbraw/zinc/24/89/69/972248969.db2.gz UKVRITBKWRJYKQ-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000705393636 957201093 /nfs/dbraw/zinc/20/10/93/957201093.db2.gz KTPCIJGBPHZVSH-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC001346190635 957425895 /nfs/dbraw/zinc/42/58/95/957425895.db2.gz INKPCHFOBBROGW-GJZGRUSLSA-N 2 1 248.370 1.131 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC001346190634 957427325 /nfs/dbraw/zinc/42/73/25/957427325.db2.gz INKPCHFOBBROGW-CABCVRRESA-N 2 1 248.370 1.131 20 0 BDADMP C[C@@H](C[NH2+]Cc1cccc2c1OCC2)C[NH+](C)C ZINC000693082018 957656036 /nfs/dbraw/zinc/65/60/36/957656036.db2.gz RKSNLHXWKGZDCN-LBPRGKRZSA-N 2 1 248.370 1.909 20 0 BDADMP c1cc2c(c(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c1)OCC2 ZINC000693110063 957675334 /nfs/dbraw/zinc/67/53/34/957675334.db2.gz ASUFTRPGQNMGEL-OKILXGFUSA-N 2 1 244.338 1.273 20 0 BDADMP c1cc2c(c(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c1)OCC2 ZINC000693110063 957675346 /nfs/dbraw/zinc/67/53/46/957675346.db2.gz ASUFTRPGQNMGEL-OKILXGFUSA-N 2 1 244.338 1.273 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)CC[NH2+]1 ZINC001246332343 972294979 /nfs/dbraw/zinc/29/49/79/972294979.db2.gz IHPRGWJLXNDQKY-RQJABVFESA-N 3 1 237.391 1.521 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246332156 972296421 /nfs/dbraw/zinc/29/64/21/972296421.db2.gz DZRVUPKGFJMNHB-ABXWRUBCSA-N 3 1 239.407 1.624 20 0 BDADMP C[NH+](C)C1CN(Cc2[nH+]cc3ccccn32)C1 ZINC001207047868 957843423 /nfs/dbraw/zinc/84/34/23/957843423.db2.gz CCKODBUSPGVCFV-UHFFFAOYSA-N 2 1 230.315 1.080 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@H]1[NH3+] ZINC000693392871 958354497 /nfs/dbraw/zinc/35/44/97/958354497.db2.gz LZPHQNXVEWFLHJ-RMPHRYRLSA-N 2 1 244.329 1.947 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@]23CCCOC3)C[NH2+]1 ZINC001246470183 972346737 /nfs/dbraw/zinc/34/67/37/972346737.db2.gz PSEWSMIMDCPEGZ-MROQNXINSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccncc2)C[NH2+]1 ZINC000398972182 958469212 /nfs/dbraw/zinc/46/92/12/958469212.db2.gz WZJANCXGHXZWFA-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C[NH2+]1 ZINC000399005653 958483553 /nfs/dbraw/zinc/48/35/53/958483553.db2.gz XVGCFUMGXGSNCV-WPRPVWTQSA-N 2 1 218.291 1.762 20 0 BDADMP C1=CC[C@@H](C[N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001222080907 972363135 /nfs/dbraw/zinc/36/31/35/972363135.db2.gz QCLSGDWGMWCPLY-CQSZACIVSA-N 2 1 249.402 1.370 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2CCC3(COC3)CC2)C[NH2+]1 ZINC001246521072 972374404 /nfs/dbraw/zinc/37/44/04/972374404.db2.gz CNHFCKKCGQSZFZ-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)CO1 ZINC000403727616 958833999 /nfs/dbraw/zinc/83/39/99/958833999.db2.gz GPPRAVRGMYEWKW-VOAKCMCISA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)CO1 ZINC000403727616 958834003 /nfs/dbraw/zinc/83/40/03/958834003.db2.gz GPPRAVRGMYEWKW-VOAKCMCISA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)O1 ZINC000693581602 958870408 /nfs/dbraw/zinc/87/04/08/958870408.db2.gz XYBWPGFKAIFYDK-MXWKQRLJSA-N 2 1 212.337 1.223 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC000693587029 958892323 /nfs/dbraw/zinc/89/23/23/958892323.db2.gz XJILQOMZKKPAEF-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP OCCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154204 972395834 /nfs/dbraw/zinc/39/58/34/972395834.db2.gz IIICUGHKZIRHGC-CQSZACIVSA-N 2 1 240.391 1.615 20 0 BDADMP COCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327090295 972403203 /nfs/dbraw/zinc/40/32/03/972403203.db2.gz UVNZQFQOFOKIOG-UHFFFAOYSA-N 2 1 226.364 1.489 20 0 BDADMP [NH3+]C12CC(CC[N@H+]3CCC[C@@]34CCC[NH2+]C4)(C1)C2 ZINC001222230869 972417529 /nfs/dbraw/zinc/41/75/29/972417529.db2.gz FRGWTSOMMNEZJL-YMAMQOFZSA-N 3 1 249.402 1.476 20 0 BDADMP C[C@H]1CC[C@H](CO)C[N@H+]1CC1CC[NH2+]CC1 ZINC000708438671 959434892 /nfs/dbraw/zinc/43/48/92/959434892.db2.gz JTCFSEJADAWCRQ-AAEUAGOBSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246530838 972436622 /nfs/dbraw/zinc/43/66/22/972436622.db2.gz OHZZDCHYDNHMRR-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246530838 972436627 /nfs/dbraw/zinc/43/66/27/972436627.db2.gz OHZZDCHYDNHMRR-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222310452 972437599 /nfs/dbraw/zinc/43/75/99/972437599.db2.gz VXOJUUHHIMGYBI-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP COc1cccc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167913297 959605051 /nfs/dbraw/zinc/60/50/51/959605051.db2.gz KOENGIRBXNITAF-UHFFFAOYSA-N 2 1 225.317 1.734 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246531421 972442804 /nfs/dbraw/zinc/44/28/04/972442804.db2.gz QTXKAOSPFHXHBY-ZIAGYGMSSA-N 3 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)N1CC[C@@](C)([NH3+])C1 ZINC001246531421 972442806 /nfs/dbraw/zinc/44/28/06/972442806.db2.gz QTXKAOSPFHXHBY-ZIAGYGMSSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246531421 972442808 /nfs/dbraw/zinc/44/28/08/972442808.db2.gz QTXKAOSPFHXHBY-ZIAGYGMSSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246531421 972442809 /nfs/dbraw/zinc/44/28/09/972442809.db2.gz QTXKAOSPFHXHBY-ZIAGYGMSSA-N 2 1 241.423 1.920 20 0 BDADMP CC1CC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000300014358 959676549 /nfs/dbraw/zinc/67/65/49/959676549.db2.gz CYERPWFCIOSKDD-TYUFSLCMSA-N 2 1 224.348 1.238 20 0 BDADMP CC1CC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000300014358 959676558 /nfs/dbraw/zinc/67/65/58/959676558.db2.gz CYERPWFCIOSKDD-TYUFSLCMSA-N 2 1 224.348 1.238 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOCC1 ZINC000309344646 959854849 /nfs/dbraw/zinc/85/48/49/959854849.db2.gz LJVMKTRACMFGCD-GFCCVEGCSA-N 2 1 223.320 1.350 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207403388 959862147 /nfs/dbraw/zinc/86/21/47/959862147.db2.gz UACCZDZMHWYFOU-ZDUSSCGKSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1C[N@H+](C2Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000708884852 960077305 /nfs/dbraw/zinc/07/73/05/960077305.db2.gz VHXCIGDHIZAEPV-SMDDNHRTSA-N 2 1 230.355 1.680 20 0 BDADMP C[NH2+]CCNc1cccc(C(=[NH2+])OC)c1 ZINC001167725564 960243276 /nfs/dbraw/zinc/24/32/76/960243276.db2.gz FGPNAHVICUZPQK-UHFFFAOYSA-N 2 1 207.277 1.290 20 0 BDADMP Cc1cc2[nH+]ccn2cc1-n1ccc(CC[NH3+])n1 ZINC001167730715 960266091 /nfs/dbraw/zinc/26/60/91/960266091.db2.gz PMHCHSVLXAOOFA-UHFFFAOYSA-N 2 1 241.298 1.330 20 0 BDADMP CC[C@H](O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000692581782 960307825 /nfs/dbraw/zinc/30/78/25/960307825.db2.gz WFIIEEJOEHFGLW-RHYQMDGZSA-N 2 1 214.353 1.205 20 0 BDADMP CC[C@H](O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000692581782 960307834 /nfs/dbraw/zinc/30/78/34/960307834.db2.gz WFIIEEJOEHFGLW-RHYQMDGZSA-N 2 1 214.353 1.205 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925549980 960325248 /nfs/dbraw/zinc/32/52/48/960325248.db2.gz JYNBHWZWBURKAV-MELADBBJSA-N 2 1 239.407 1.591 20 0 BDADMP CN1CCC[N@@H+](CCC2CC[NH+](C)CC2)CC1 ZINC001207479641 960352518 /nfs/dbraw/zinc/35/25/18/960352518.db2.gz LGWDSBJUIWZIPZ-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[NH+]1CCC(CCN2CCC[N@H+](C)CC2)CC1 ZINC001207479641 960352525 /nfs/dbraw/zinc/35/25/25/960352525.db2.gz LGWDSBJUIWZIPZ-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[NH+]1CCC(CCN2CCC[N@@H+](C)CC2)CC1 ZINC001207479641 960352533 /nfs/dbraw/zinc/35/25/33/960352533.db2.gz LGWDSBJUIWZIPZ-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001207479550 960354315 /nfs/dbraw/zinc/35/43/15/960354315.db2.gz JZKKOMDJLJTHGV-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP COC[C@@H]1CCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479718 960357117 /nfs/dbraw/zinc/35/71/17/960357117.db2.gz LSWBZNJAVVTCEO-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c(CO)c3)C2)C1 ZINC000310901618 960482349 /nfs/dbraw/zinc/48/23/49/960482349.db2.gz BCQISAISWLHAFX-CQSZACIVSA-N 2 1 247.342 1.106 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001140806370 960607391 /nfs/dbraw/zinc/60/73/91/960607391.db2.gz HMQFAQYKHCDFBR-GFCCVEGCSA-N 2 1 242.326 1.453 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001140806370 960607400 /nfs/dbraw/zinc/60/74/00/960607400.db2.gz HMQFAQYKHCDFBR-GFCCVEGCSA-N 2 1 242.326 1.453 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](CCO)Cc2ccccc2)CC[NH2+]1 ZINC000709478724 960618338 /nfs/dbraw/zinc/61/83/38/960618338.db2.gz ADVRMIHSSBGIKA-DZGCQCFKSA-N 2 1 248.370 1.621 20 0 BDADMP Cc1[nH+]c(N)ccc1CNc1cc[nH+]cc1 ZINC001167782686 960833878 /nfs/dbraw/zinc/83/38/78/960833878.db2.gz XVXFNRNEIYXOLC-UHFFFAOYSA-N 2 1 214.272 1.401 20 0 BDADMP C[N@H+]1CCCN(CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167902336 961661285 /nfs/dbraw/zinc/66/12/85/961661285.db2.gz FGFNVXJZDZEYQF-WDNDVIMCSA-N 2 1 237.391 1.012 20 0 BDADMP Nc1cccc(N[C@H]2C[NH+]3CCC2CC3)[nH+]1 ZINC000087725813 961731129 /nfs/dbraw/zinc/73/11/29/961731129.db2.gz MSQYHUVXCYUKQJ-JTQLQIEISA-N 2 1 218.304 1.170 20 0 BDADMP Nc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206631848 962123814 /nfs/dbraw/zinc/12/38/14/962123814.db2.gz AZQCJQFJOSRSJR-CYBMUJFWSA-N 2 1 233.359 1.830 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206632361 962124863 /nfs/dbraw/zinc/12/48/63/962124863.db2.gz JTAXJZWCIXBDMI-LBPRGKRZSA-N 2 1 249.358 1.656 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000710302518 962362869 /nfs/dbraw/zinc/36/28/69/962362869.db2.gz GXZMRZJRDVRPDL-RISCZKNCSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](CC1CCC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000710302518 962362886 /nfs/dbraw/zinc/36/28/86/962362886.db2.gz GXZMRZJRDVRPDL-RISCZKNCSA-N 2 1 240.391 1.610 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001206649644 962635028 /nfs/dbraw/zinc/63/50/28/962635028.db2.gz XBQJGXBQWZPLPP-QMMMGPOBSA-N 2 1 210.243 1.404 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001206649644 962635042 /nfs/dbraw/zinc/63/50/42/962635042.db2.gz XBQJGXBQWZPLPP-QMMMGPOBSA-N 2 1 210.243 1.404 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711449277 962706470 /nfs/dbraw/zinc/70/64/70/962706470.db2.gz DLSZFEYMVBTTTE-OLZOCXBDSA-N 2 1 246.370 1.371 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711449277 962706488 /nfs/dbraw/zinc/70/64/88/962706488.db2.gz DLSZFEYMVBTTTE-OLZOCXBDSA-N 2 1 246.370 1.371 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c12 ZINC001154974586 962926123 /nfs/dbraw/zinc/92/61/23/962926123.db2.gz FFRRGPZAUPVYDO-UWVGGRQHSA-N 2 1 245.330 1.948 20 0 BDADMP CC(C)CNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001161644536 962972609 /nfs/dbraw/zinc/97/26/09/962972609.db2.gz AMIXMOAGULPUBL-UHFFFAOYSA-N 2 1 249.362 1.472 20 0 BDADMP CC[C@H](C)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001167998384 963203747 /nfs/dbraw/zinc/20/37/47/963203747.db2.gz IZDGNFPSAZOMNO-JTQLQIEISA-N 2 1 249.362 1.615 20 0 BDADMP COC[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000696592691 963268813 /nfs/dbraw/zinc/26/88/13/963268813.db2.gz DZPRHQZZXLPDIC-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CCCc1cc(N(C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001156175577 963271462 /nfs/dbraw/zinc/27/14/62/963271462.db2.gz KGXMHXGGTITMQJ-UHFFFAOYSA-N 2 1 248.374 1.926 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000696600413 963278768 /nfs/dbraw/zinc/27/87/68/963278768.db2.gz LDOKEBVBKDBYEA-RDBSUJKOSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697017450 963639504 /nfs/dbraw/zinc/63/95/04/963639504.db2.gz SEWYBJORVAHFHS-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697017450 963639509 /nfs/dbraw/zinc/63/95/09/963639509.db2.gz SEWYBJORVAHFHS-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@](F)(C[NH3+])C2)c1 ZINC001157808715 963734857 /nfs/dbraw/zinc/73/48/57/963734857.db2.gz JQOLYJBEQYICAJ-LLVKDONJSA-N 2 1 209.268 1.267 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[NH+](C)C)CCO1 ZINC001168107864 963741171 /nfs/dbraw/zinc/74/11/71/963741171.db2.gz YWMBPLQWIAQGAE-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP CCCNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001168130713 963813242 /nfs/dbraw/zinc/81/32/42/963813242.db2.gz NRNLPWTWVJSULE-UHFFFAOYSA-N 2 1 235.335 1.226 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872145062 963882569 /nfs/dbraw/zinc/88/25/69/963882569.db2.gz NQOZBXAAHJPZHH-VOAKCMCISA-N 2 1 240.391 1.907 20 0 BDADMP Cc1cc2c(nc[nH+]c2NCC2C[NH+](C)C2)[nH]1 ZINC001159218482 964017687 /nfs/dbraw/zinc/01/76/87/964017687.db2.gz PRJXZAUBKDTZSK-UHFFFAOYSA-N 2 1 231.303 1.240 20 0 BDADMP C[C@H](Nc1cc(C2CC2)cc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159500965 964116759 /nfs/dbraw/zinc/11/67/59/964116759.db2.gz UIFWTKUWGOFYRB-GXFFZTMASA-N 2 1 247.342 1.748 20 0 BDADMP CC[C@@]([NH3+])(CO)Nc1[nH+]c(C)cc2[nH]ccc21 ZINC001159744134 964176086 /nfs/dbraw/zinc/17/60/86/964176086.db2.gz PFBGHUCJWUHAFR-LBPRGKRZSA-N 2 1 234.303 1.341 20 0 BDADMP C[C@@H]([NH3+])CCNc1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001159779198 964191806 /nfs/dbraw/zinc/19/18/06/964191806.db2.gz WIESIAHZXIQMSO-LLVKDONJSA-N 2 1 248.374 1.825 20 0 BDADMP CO[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1F ZINC001168315699 964422599 /nfs/dbraw/zinc/42/25/99/964422599.db2.gz ZZAAHOROOPAHLE-TYUFSLCMSA-N 2 1 244.354 1.528 20 0 BDADMP Nc1ccc(NCc2ccccc2C[NH3+])[nH+]c1 ZINC001160905689 964441940 /nfs/dbraw/zinc/44/19/40/964441940.db2.gz CDUYUULEELONBJ-UHFFFAOYSA-N 2 1 228.299 1.735 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCn3nccc3C2)CC1 ZINC001168331122 964466677 /nfs/dbraw/zinc/46/66/77/964466677.db2.gz ZLNLBQMHEGJFJI-UHFFFAOYSA-N 2 1 248.374 1.572 20 0 BDADMP C[NH+]1CC(CNC2CC[NH+](CC3CC3)CC2)C1 ZINC001168359543 964543767 /nfs/dbraw/zinc/54/37/67/964543767.db2.gz BPJHSXRVCWWKRH-UHFFFAOYSA-N 2 1 237.391 1.012 20 0 BDADMP Cc1ccncc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697888620 964635782 /nfs/dbraw/zinc/63/57/82/964635782.db2.gz PEZYMJDUEBDHLE-LBPRGKRZSA-N 2 1 221.348 1.820 20 0 BDADMP Nc1cccc(NCc2[nH+]cn3ccccc23)[nH+]1 ZINC001161684085 964682699 /nfs/dbraw/zinc/68/26/99/964682699.db2.gz CVMODZCIPGZFHN-UHFFFAOYSA-N 2 1 239.282 1.924 20 0 BDADMP Cc1c[nH]c2nc(N[C@@H]3CCC[C@@H]([NH3+])C3)[nH+]cc12 ZINC001162390676 964949456 /nfs/dbraw/zinc/94/94/56/964949456.db2.gz HQYXQAVEECJWRC-NXEZZACHSA-N 2 1 245.330 1.900 20 0 BDADMP F[C@@H]1C[NH2+][C@H](CNc2cccn3c[nH+]cc23)C1 ZINC001162481371 964994111 /nfs/dbraw/zinc/99/41/11/964994111.db2.gz PETVHKMUKHFMEA-UWVGGRQHSA-N 2 1 234.278 1.446 20 0 BDADMP C[C@@H]1C[C@@H](CNc2nc3[nH]ccc3c[nH+]2)C[NH2+]1 ZINC001162552884 965044126 /nfs/dbraw/zinc/04/41/26/965044126.db2.gz QVLITRUNQCZYJD-RKDXNWHRSA-N 2 1 231.303 1.319 20 0 BDADMP Nc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)c[nH+]1 ZINC001162583105 965055776 /nfs/dbraw/zinc/05/57/76/965055776.db2.gz JVPXEOCISHEVOO-GFCCVEGCSA-N 2 1 238.310 1.558 20 0 BDADMP COc1ccc(C)[nH+]c1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162791903 965184044 /nfs/dbraw/zinc/18/40/44/965184044.db2.gz FCAMXBZUELYFIZ-GRYCIOLGSA-N 2 1 245.326 1.585 20 0 BDADMP c1cc2c(nc[nH+]c2N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH]1 ZINC001163261529 965322740 /nfs/dbraw/zinc/32/27/40/965322740.db2.gz BBHMQJDNWKOVFJ-MIMYLULJSA-N 2 1 243.314 1.368 20 0 BDADMP C[NH+](C)CC1CCC(Nc2cc(N)[nH+]cn2)CC1 ZINC001163301449 965325443 /nfs/dbraw/zinc/32/54/43/965325443.db2.gz BXXHVTBXNCKTIH-UHFFFAOYSA-N 2 1 249.362 1.591 20 0 BDADMP C[NH+](C)CC1CCC(Nc2cc(N)nc[nH+]2)CC1 ZINC001163301449 965325455 /nfs/dbraw/zinc/32/54/55/965325455.db2.gz BXXHVTBXNCKTIH-UHFFFAOYSA-N 2 1 249.362 1.591 20 0 BDADMP COc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]c1C ZINC001163268759 965326772 /nfs/dbraw/zinc/32/67/72/965326772.db2.gz OTVZAEUGUTUSMH-WOPDTQHZSA-N 2 1 247.342 1.809 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC001120824097 965420739 /nfs/dbraw/zinc/42/07/39/965420739.db2.gz IIOUPTMJJBHOHP-YGRLFVJLSA-N 2 1 247.342 1.469 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699208759 965812996 /nfs/dbraw/zinc/81/29/96/965812996.db2.gz GMWOOYSUSXDVQJ-GSPSYOTPSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699206703 965816794 /nfs/dbraw/zinc/81/67/94/965816794.db2.gz XVDYMVLXNFYDSS-YJBUHQLJSA-N 2 1 238.375 1.626 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000699532184 965945171 /nfs/dbraw/zinc/94/51/71/965945171.db2.gz KYJRUOVWQXZHEH-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000699533730 965949248 /nfs/dbraw/zinc/94/92/48/965949248.db2.gz PNZPTNMKYYECHX-STQMWFEESA-N 2 1 224.348 1.263 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000699741640 966054733 /nfs/dbraw/zinc/05/47/33/966054733.db2.gz KUNPUXJKZQZATL-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H]3CCC[C@H]32)O1 ZINC001235889863 966133190 /nfs/dbraw/zinc/13/31/90/966133190.db2.gz AGINPKWULUYDCL-FRRDWIJNSA-N 2 1 238.375 1.975 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H]3CCC[C@H]32)O1 ZINC001235889863 966133206 /nfs/dbraw/zinc/13/32/06/966133206.db2.gz AGINPKWULUYDCL-FRRDWIJNSA-N 2 1 238.375 1.975 20 0 BDADMP COC(=O)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715296639 966186167 /nfs/dbraw/zinc/18/61/67/966186167.db2.gz VNEOLLULLJTJHB-WHXUTIOJSA-N 2 1 228.336 1.010 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235978386 966194523 /nfs/dbraw/zinc/19/45/23/966194523.db2.gz KGHMBXGVGPZUQB-ZSLBOAEBSA-N 2 1 218.344 1.622 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235996340 966224316 /nfs/dbraw/zinc/22/43/16/966224316.db2.gz XBWZPLKUPRZZLG-YPMHNXCESA-N 2 1 233.315 1.019 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235996340 966224332 /nfs/dbraw/zinc/22/43/32/966224332.db2.gz XBWZPLKUPRZZLG-YPMHNXCESA-N 2 1 233.315 1.019 20 0 BDADMP COc1ccc(CCC[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206712209 966260140 /nfs/dbraw/zinc/26/01/40/966260140.db2.gz WYVQFJCMBCMDTC-UHFFFAOYSA-N 2 1 248.370 1.908 20 0 BDADMP [NH3+]C[C@H]1CCCN1Cc1[nH+]cc2ccccn21 ZINC001236242673 966315626 /nfs/dbraw/zinc/31/56/26/966315626.db2.gz GCXWQBKNAOBLQV-LLVKDONJSA-N 2 1 230.315 1.257 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]2CN)CC1 ZINC001236243110 966317798 /nfs/dbraw/zinc/31/77/98/966317798.db2.gz CEWDQCSKZFAUPY-CYBMUJFWSA-N 2 1 225.380 1.141 20 0 BDADMP CC[NH+]1CCC(CN2CCC[C@@H]2C[NH3+])CC1 ZINC001236243110 966317815 /nfs/dbraw/zinc/31/78/15/966317815.db2.gz CEWDQCSKZFAUPY-CYBMUJFWSA-N 2 1 225.380 1.141 20 0 BDADMP CS[C@H](C)CC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210587 966848552 /nfs/dbraw/zinc/84/85/52/966848552.db2.gz QDXIWKMPWPWURP-NEPJUHHUSA-N 2 1 246.420 1.304 20 0 BDADMP CCc1cc(Nc2ccc[nH+]c2N)cc[nH+]1 ZINC001212395347 967022150 /nfs/dbraw/zinc/02/21/50/967022150.db2.gz MFXNCMWGUPVASB-UHFFFAOYSA-N 2 1 214.272 1.787 20 0 BDADMP CN(c1cc(N)cc[nH+]1)c1ccc[nH+]c1N ZINC001212398127 967031817 /nfs/dbraw/zinc/03/18/17/967031817.db2.gz HNXFTXYTVSQXOZ-UHFFFAOYSA-N 2 1 215.260 1.409 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001204763456 967154196 /nfs/dbraw/zinc/15/41/96/967154196.db2.gz LDTYMRDUOLSFMW-DGCLKSJQSA-N 2 1 226.364 1.615 20 0 BDADMP COC(=O)[C@@H]1CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC000715571290 967184605 /nfs/dbraw/zinc/18/46/05/967184605.db2.gz HBLVJPAHERCEMX-MCIGGMRASA-N 2 1 240.347 1.107 20 0 BDADMP COC(=O)[C@@H]1CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC000715571290 967184610 /nfs/dbraw/zinc/18/46/10/967184610.db2.gz HBLVJPAHERCEMX-MCIGGMRASA-N 2 1 240.347 1.107 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@@H](N[C@H]2CCC[N@H+](C)C2)C1 ZINC000715582265 967191823 /nfs/dbraw/zinc/19/18/23/967191823.db2.gz YNLBBUOBMVUPSU-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@@H](N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000715582265 967191836 /nfs/dbraw/zinc/19/18/36/967191836.db2.gz YNLBBUOBMVUPSU-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001204847550 967195706 /nfs/dbraw/zinc/19/57/06/967195706.db2.gz CGGYHVKUNCJOGB-VXGBXAGGSA-N 2 1 224.348 1.559 20 0 BDADMP COc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccn1 ZINC001205093848 967336838 /nfs/dbraw/zinc/33/68/38/967336838.db2.gz GMOVYZZAXWOCBI-GFCCVEGCSA-N 2 1 235.331 1.403 20 0 BDADMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccn1 ZINC001205093848 967336848 /nfs/dbraw/zinc/33/68/48/967336848.db2.gz GMOVYZZAXWOCBI-GFCCVEGCSA-N 2 1 235.331 1.403 20 0 BDADMP CNc1ncccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205101771 967347737 /nfs/dbraw/zinc/34/77/37/967347737.db2.gz LFULVKJXIMSCEL-GFCCVEGCSA-N 2 1 234.347 1.437 20 0 BDADMP CNc1ncccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205101771 967347748 /nfs/dbraw/zinc/34/77/48/967347748.db2.gz LFULVKJXIMSCEL-GFCCVEGCSA-N 2 1 234.347 1.437 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccnc3[nH]ccc32)CC1 ZINC001205109709 967351259 /nfs/dbraw/zinc/35/12/59/967351259.db2.gz JSZRYRJFCHRQPG-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP Cc1cnsc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117336 967364183 /nfs/dbraw/zinc/36/41/83/967364183.db2.gz OCWXHYNWROTDLK-SNVBAGLBSA-N 2 1 225.361 1.765 20 0 BDADMP Cc1cnsc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117336 967364191 /nfs/dbraw/zinc/36/41/91/967364191.db2.gz OCWXHYNWROTDLK-SNVBAGLBSA-N 2 1 225.361 1.765 20 0 BDADMP Nc1ccccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124431 967370811 /nfs/dbraw/zinc/37/08/11/967370811.db2.gz RHLZTASBCPLZSF-LBPRGKRZSA-N 2 1 219.332 1.582 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3n[nH]cc3c2)C[C@H]1C[NH3+] ZINC001205140274 967387755 /nfs/dbraw/zinc/38/77/55/967387755.db2.gz FDSYGAOJAAFYQC-GXFFZTMASA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3n2CCC3)C[C@H]1C[NH3+] ZINC001205155976 967400930 /nfs/dbraw/zinc/40/09/30/967400930.db2.gz KPQSWJGQHBAGBS-NWDGAFQWSA-N 2 1 233.359 1.461 20 0 BDADMP Cc1ccccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209775 967428287 /nfs/dbraw/zinc/42/82/87/967428287.db2.gz LCEOXHUEBJCPMA-OAHLLOKOSA-N 2 1 248.370 1.671 20 0 BDADMP CC(C)(C)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205208942 967429383 /nfs/dbraw/zinc/42/93/83/967429383.db2.gz GIZKEIXSDNULPS-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP Cc1c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cnn1C ZINC001205265662 967456361 /nfs/dbraw/zinc/45/63/61/967456361.db2.gz QOBZEHQVTCJTQP-CYBMUJFWSA-N 2 1 236.363 1.432 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cncs2)CC1 ZINC001205263854 967457756 /nfs/dbraw/zinc/45/77/56/967457756.db2.gz CRKZFCLDEQLPNZ-LLVKDONJSA-N 2 1 225.361 1.846 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cncs2)CC1 ZINC001205263854 967457766 /nfs/dbraw/zinc/45/77/66/967457766.db2.gz CRKZFCLDEQLPNZ-LLVKDONJSA-N 2 1 225.361 1.846 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc[nH]c2)CC1 ZINC001205273016 967467268 /nfs/dbraw/zinc/46/72/68/967467268.db2.gz CILSDGJKOOXAGF-GFCCVEGCSA-N 2 1 207.321 1.718 20 0 BDADMP C[C@@H]1CCNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001205324908 967532912 /nfs/dbraw/zinc/53/29/12/967532912.db2.gz HUIFHYMINGORPK-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC001205324908 967532936 /nfs/dbraw/zinc/53/29/36/967532936.db2.gz HUIFHYMINGORPK-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001205539388 967660128 /nfs/dbraw/zinc/66/01/28/967660128.db2.gz YDSGHVIJZFFGDR-VXGBXAGGSA-N 2 1 230.327 1.176 20 0 BDADMP Cn1cnc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205545383 967686705 /nfs/dbraw/zinc/68/67/05/967686705.db2.gz FYCQXWQKXYAHKI-GFCCVEGCSA-N 2 1 240.326 1.073 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545427 967688518 /nfs/dbraw/zinc/68/85/18/967688518.db2.gz GZTTXNSFGDPTKR-GFCCVEGCSA-N 3 1 231.359 1.268 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)n1 ZINC001205558198 967693909 /nfs/dbraw/zinc/69/39/09/967693909.db2.gz CIHSFWJTUNYUGJ-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)n1 ZINC001205558198 967693919 /nfs/dbraw/zinc/69/39/19/967693919.db2.gz CIHSFWJTUNYUGJ-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCO)CC[C@H]1C[NH3+] ZINC001205601964 967717829 /nfs/dbraw/zinc/71/78/29/967717829.db2.gz HGOQDRSBZZEYRX-NEPJUHHUSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cn(C)cn2)CC[C@H]1C[NH3+] ZINC001205602636 967720056 /nfs/dbraw/zinc/72/00/56/967720056.db2.gz KUCNJDUXZGVSEK-NEPJUHHUSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](CC23CC([NH3+])(C2)C3)CC[C@@H]1C[NH3+] ZINC001205602531 967720990 /nfs/dbraw/zinc/72/09/90/967720990.db2.gz JFVNDYNCVQWBQR-IWMBGFJWSA-N 3 1 237.391 1.175 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncn2)CC[C@H]1C[NH3+] ZINC001205627495 967733660 /nfs/dbraw/zinc/73/36/60/967733660.db2.gz QCUODUKSGPGXCS-RYUDHWBXSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cocn2)CC[C@H]1C[NH3+] ZINC001205628501 967736023 /nfs/dbraw/zinc/73/60/23/967736023.db2.gz VRPGIZFBLBBYOY-QWRGUYRKSA-N 2 1 223.320 1.481 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)nc1 ZINC001205654548 967743124 /nfs/dbraw/zinc/74/31/24/967743124.db2.gz XEDIUVCVCSHLFN-QWHCGFSZSA-N 2 1 248.374 1.592 20 0 BDADMP CC/C=C\CCC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664515 967747069 /nfs/dbraw/zinc/74/70/69/967747069.db2.gz NPVZZZZDCAUJQA-VQTKUKTRSA-N 2 1 240.391 1.909 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cnoc3)C2)CC1 ZINC001205724172 967804077 /nfs/dbraw/zinc/80/40/77/967804077.db2.gz HYHAFIIXTTZLPY-UHFFFAOYSA-N 2 1 221.304 1.202 20 0 BDADMP Cc1cccnc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001205779699 967821695 /nfs/dbraw/zinc/82/16/95/967821695.db2.gz MATGRGLRQMPVQH-KGLIPLIRSA-N 2 1 245.370 1.774 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001205779699 967821696 /nfs/dbraw/zinc/82/16/96/967821696.db2.gz MATGRGLRQMPVQH-KGLIPLIRSA-N 2 1 245.370 1.774 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(N)c2)C1 ZINC001205839415 967847651 /nfs/dbraw/zinc/84/76/51/967847651.db2.gz FSOMOOWPVQIYAS-BXUZGUMPSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(N)c2)C1 ZINC001205839415 967847660 /nfs/dbraw/zinc/84/76/60/967847660.db2.gz FSOMOOWPVQIYAS-BXUZGUMPSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001205863491 967863090 /nfs/dbraw/zinc/86/30/90/967863090.db2.gz YIORQBNFWIZVNZ-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001205863491 967863091 /nfs/dbraw/zinc/86/30/91/967863091.db2.gz YIORQBNFWIZVNZ-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP COC1CC(C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000703881701 967881932 /nfs/dbraw/zinc/88/19/32/967881932.db2.gz WJYYQMGILLORJP-UHFFFAOYSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCC[C@H]1C[NH3+] ZINC001205984992 967933008 /nfs/dbraw/zinc/93/30/08/967933008.db2.gz URFOHJMVQLZXGF-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)no1 ZINC001205996086 967947800 /nfs/dbraw/zinc/94/78/00/967947800.db2.gz UOEJNXXVKBXDRU-ZYHUDNBSSA-N 2 1 237.347 1.790 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001206049538 968013560 /nfs/dbraw/zinc/01/35/60/968013560.db2.gz NZWHIKRFJIAXNB-DGCLKSJQSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@@H]1CN(CC2CC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001206049538 968013573 /nfs/dbraw/zinc/01/35/73/968013573.db2.gz NZWHIKRFJIAXNB-DGCLKSJQSA-N 2 1 237.391 1.045 20 0 BDADMP C[C@@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1N ZINC001206049538 968013587 /nfs/dbraw/zinc/01/35/87/968013587.db2.gz NZWHIKRFJIAXNB-DGCLKSJQSA-N 2 1 237.391 1.045 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C[C@H]1N ZINC001206049538 968013600 /nfs/dbraw/zinc/01/36/00/968013600.db2.gz NZWHIKRFJIAXNB-DGCLKSJQSA-N 2 1 237.391 1.045 20 0 BDADMP COc1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000693559374 968070193 /nfs/dbraw/zinc/07/01/93/968070193.db2.gz KZJYRGJCTJXVNP-GSJFWJNXSA-N 2 1 232.327 1.748 20 0 BDADMP CCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154300 968093329 /nfs/dbraw/zinc/09/33/29/968093329.db2.gz ITASSFLNSOLKFV-MNOVXSKESA-N 2 1 202.317 1.938 20 0 BDADMP CCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154300 968093341 /nfs/dbraw/zinc/09/33/41/968093341.db2.gz ITASSFLNSOLKFV-MNOVXSKESA-N 2 1 202.317 1.938 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccco2)CC[C@@H]1F ZINC001206154461 968094058 /nfs/dbraw/zinc/09/40/58/968094058.db2.gz JDSYPXKDZURXBP-QWRGUYRKSA-N 2 1 212.268 1.541 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccco2)CC[C@@H]1F ZINC001206154461 968094067 /nfs/dbraw/zinc/09/40/67/968094067.db2.gz JDSYPXKDZURXBP-QWRGUYRKSA-N 2 1 212.268 1.541 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)nc1 ZINC001206175231 968111335 /nfs/dbraw/zinc/11/13/35/968111335.db2.gz SUDHKECIAFMLDU-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)nc1 ZINC001206175231 968111344 /nfs/dbraw/zinc/11/13/44/968111344.db2.gz SUDHKECIAFMLDU-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCC[NH3+])CC1 ZINC001206292535 968200381 /nfs/dbraw/zinc/20/03/81/968200381.db2.gz CPCHBMMYEWKCBN-GFCCVEGCSA-N 3 1 213.369 1.176 20 0 BDADMP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC001206284296 968194236 /nfs/dbraw/zinc/19/42/36/968194236.db2.gz BKQYSFTVNZZROY-LBPRGKRZSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC001206284296 968194242 /nfs/dbraw/zinc/19/42/42/968194242.db2.gz BKQYSFTVNZZROY-LBPRGKRZSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)NCC3)C1 ZINC001206285333 968198166 /nfs/dbraw/zinc/19/81/66/968198166.db2.gz LMGDSFXLYBLJRT-GFCCVEGCSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)NCC3)C1 ZINC001206285333 968198174 /nfs/dbraw/zinc/19/81/74/968198174.db2.gz LMGDSFXLYBLJRT-GFCCVEGCSA-N 2 1 245.370 1.696 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CC2CCOCC2)CC1 ZINC001206297650 968207381 /nfs/dbraw/zinc/20/73/81/968207381.db2.gz ZFPJPYNRVQQGDP-AWEZNQCLSA-N 2 1 240.391 1.864 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206303161 968209988 /nfs/dbraw/zinc/20/99/88/968209988.db2.gz CBAKUMWSUOEQMG-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC001206305250 968213595 /nfs/dbraw/zinc/21/35/95/968213595.db2.gz XGIUQCDLUSDLCI-LBPRGKRZSA-N 2 1 222.336 1.361 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2[O-])CC1 ZINC001206311632 968218374 /nfs/dbraw/zinc/21/83/74/968218374.db2.gz RRJCLEIXWMPGBE-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccncc2O)CC1 ZINC001206311632 968218387 /nfs/dbraw/zinc/21/83/87/968218387.db2.gz RRJCLEIXWMPGBE-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccncc2O)CC1 ZINC001206311632 968218392 /nfs/dbraw/zinc/21/83/92/968218392.db2.gz RRJCLEIXWMPGBE-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP CCCC[C@H](CC)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206458366 968317840 /nfs/dbraw/zinc/31/78/40/968317840.db2.gz YPHOMGXKAWJBQP-RWMBFGLXSA-N 2 1 228.380 1.454 20 0 BDADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](O)CC)CC1 ZINC001251782693 968324355 /nfs/dbraw/zinc/32/43/55/968324355.db2.gz OJTVIWZPZVBBKW-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnc(N)nc2)C1 ZINC001206550257 968377697 /nfs/dbraw/zinc/37/76/97/968377697.db2.gz YSQDISROUSLHEJ-CYBMUJFWSA-N 2 1 249.362 1.010 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC001206550257 968377700 /nfs/dbraw/zinc/37/77/00/968377700.db2.gz YSQDISROUSLHEJ-CYBMUJFWSA-N 2 1 249.362 1.010 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ncccc2F)C1 ZINC001206616943 968421010 /nfs/dbraw/zinc/42/10/10/968421010.db2.gz UXMSPYXKLFTZNZ-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ncccc2F)C1 ZINC001206616943 968421022 /nfs/dbraw/zinc/42/10/22/968421022.db2.gz UXMSPYXKLFTZNZ-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP C(C1CCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000085696860 968426313 /nfs/dbraw/zinc/42/63/13/968426313.db2.gz SLUQUBNDMTWZDN-CYBMUJFWSA-N 2 1 208.349 1.957 20 0 BDADMP O[C@H](C[NH2+]CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001252002765 968431761 /nfs/dbraw/zinc/43/17/61/968431761.db2.gz FNJNPYCBGGYKSC-GFCCVEGCSA-N 2 1 231.299 1.275 20 0 BDADMP CCCC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC001252076709 968493163 /nfs/dbraw/zinc/49/31/63/968493163.db2.gz MIHJUOQADKMJJP-GFCCVEGCSA-N 2 1 214.353 1.221 20 0 BDADMP Cc1[nH+]cc(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)n1C ZINC001206795935 968481386 /nfs/dbraw/zinc/48/13/86/968481386.db2.gz NZUMHNIOOKKNKY-GXTWGEPZSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)n1C ZINC001206795935 968481391 /nfs/dbraw/zinc/48/13/91/968481391.db2.gz NZUMHNIOOKKNKY-GXTWGEPZSA-N 2 1 248.374 1.255 20 0 BDADMP CCCC[C@@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001252087516 968507626 /nfs/dbraw/zinc/50/76/26/968507626.db2.gz CZEOKNOBCBZGFG-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CN(CCC[NH+](C)C)Cc1[nH+]cc2ccccn21 ZINC001207048281 968574568 /nfs/dbraw/zinc/57/45/68/968574568.db2.gz IOLXCZDTWOZWQJ-UHFFFAOYSA-N 2 1 246.358 1.718 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001207391952 968746728 /nfs/dbraw/zinc/74/67/28/968746728.db2.gz RPKRTYKEKUNYIB-CHWSQXEVSA-N 2 1 244.354 1.123 20 0 BDADMP Cc1ncc2n1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207395568 968751130 /nfs/dbraw/zinc/75/11/30/968751130.db2.gz VOVSVYQUQXYDFO-UHFFFAOYSA-N 2 1 248.374 1.349 20 0 BDADMP Cc1ncc2n1CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207395568 968751132 /nfs/dbraw/zinc/75/11/32/968751132.db2.gz VOVSVYQUQXYDFO-UHFFFAOYSA-N 2 1 248.374 1.349 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001207395266 968752115 /nfs/dbraw/zinc/75/21/15/968752115.db2.gz ROLFPZNOWFSEJT-AVGNSLFASA-N 2 1 226.339 1.618 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC1 ZINC001207398273 968752311 /nfs/dbraw/zinc/75/23/11/968752311.db2.gz DSNGTPNNVNBPPN-RWMBFGLXSA-N 2 1 226.339 1.761 20 0 BDADMP CC(C)N1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC001207442053 968774500 /nfs/dbraw/zinc/77/45/00/968774500.db2.gz RYAVBJXSIKHBLC-ZDUSSCGKSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+](C[C@H]1CCCOC1)C1CCN(C)CC1 ZINC001207468340 968789397 /nfs/dbraw/zinc/78/93/97/968789397.db2.gz OVSSNKSTKJTXPE-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](CO)C2)CC1 ZINC001207479051 968794932 /nfs/dbraw/zinc/79/49/32/968794932.db2.gz BYBFPYOCKCIYSO-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001207480149 968797744 /nfs/dbraw/zinc/79/77/44/968797744.db2.gz UYLQMRXBAVHXRZ-QWHCGFSZSA-N 2 1 244.354 1.123 20 0 BDADMP Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)cc(N(C)C)[nH+]1 ZINC001154977105 968830688 /nfs/dbraw/zinc/83/06/88/968830688.db2.gz MSYOQEOMOKVPJY-WDEREUQCSA-N 2 1 249.362 1.533 20 0 BDADMP Cc1cc2c(nc[nH+]c2N[C@@H]2CCC[C@H]([NH3+])C2)[nH]1 ZINC001154985964 968840456 /nfs/dbraw/zinc/84/04/56/968840456.db2.gz PNASCSWEPSSTCT-VHSXEESVSA-N 2 1 245.330 1.948 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001252789152 968966800 /nfs/dbraw/zinc/96/68/00/968966800.db2.gz MXRBANKUWMPKJU-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001252789152 968966810 /nfs/dbraw/zinc/96/68/10/968966810.db2.gz MXRBANKUWMPKJU-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@@H]1O ZINC001208105661 969000550 /nfs/dbraw/zinc/00/05/50/969000550.db2.gz AURMQFSWQCJINF-RYUDHWBXSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCN3CC[C@H]3C2)CC1 ZINC001208116536 969005120 /nfs/dbraw/zinc/00/51/20/969005120.db2.gz XHDLBDYEBRCETG-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC(C)(CN2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001208116536 969005132 /nfs/dbraw/zinc/00/51/32/969005132.db2.gz XHDLBDYEBRCETG-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC(C)(CN2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001208116536 969005144 /nfs/dbraw/zinc/00/51/44/969005144.db2.gz XHDLBDYEBRCETG-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCOCC2(C)C)CC1 ZINC001208114416 969008699 /nfs/dbraw/zinc/00/86/99/969008699.db2.gz VSDJQTRPJOHINZ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+](CC(=O)OC)CC1(C)CC[NH+](C)CC1 ZINC001208115246 969008825 /nfs/dbraw/zinc/00/88/25/969008825.db2.gz HYZGGJCNAJMIGX-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](CC(=O)OC)CC1(C)CC[NH+](C)CC1 ZINC001208115246 969008834 /nfs/dbraw/zinc/00/88/34/969008834.db2.gz HYZGGJCNAJMIGX-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)CC1CCOCC1 ZINC000349380839 969080542 /nfs/dbraw/zinc/08/05/42/969080542.db2.gz FHYSWFRICVLYNE-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](F)CC1 ZINC001253180381 969101263 /nfs/dbraw/zinc/10/12/63/969101263.db2.gz BNEFCVHGCKATMW-QWHCGFSZSA-N 2 1 246.370 1.513 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H](O)C2)CCCC1 ZINC001208181964 969114883 /nfs/dbraw/zinc/11/48/83/969114883.db2.gz FQDOFPWEINITRA-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001324487983 969139275 /nfs/dbraw/zinc/13/92/75/969139275.db2.gz LVANWJAGQXHFEH-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001208593188 969148013 /nfs/dbraw/zinc/14/80/13/969148013.db2.gz PPCFZLOUWHARMU-QWHCGFSZSA-N 2 1 244.354 1.123 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCC(F)(F)F ZINC001253384356 969148509 /nfs/dbraw/zinc/14/85/09/969148509.db2.gz QGSMQAAHVMIZNI-QMMMGPOBSA-N 2 1 242.285 1.277 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCOC[C@H](C)C2)CC1 ZINC001208593611 969148867 /nfs/dbraw/zinc/14/88/67/969148867.db2.gz XZEXTAVMWPBGIQ-CYBMUJFWSA-N 2 1 240.391 1.687 20 0 BDADMP CC[N@H+](C[C@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC001208605518 969155976 /nfs/dbraw/zinc/15/59/76/969155976.db2.gz BLOVRFJADHOMSB-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC001208605518 969155978 /nfs/dbraw/zinc/15/59/78/969155978.db2.gz BLOVRFJADHOMSB-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C[C@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC001208605518 969155981 /nfs/dbraw/zinc/15/59/81/969155981.db2.gz BLOVRFJADHOMSB-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC001208605518 969155983 /nfs/dbraw/zinc/15/59/83/969155983.db2.gz BLOVRFJADHOMSB-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC3)C1 ZINC001208604078 969158209 /nfs/dbraw/zinc/15/82/09/969158209.db2.gz KXTCKNJOVVEEOZ-GFCCVEGCSA-N 2 1 224.348 1.051 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC3)C1 ZINC001208604078 969158210 /nfs/dbraw/zinc/15/82/10/969158210.db2.gz KXTCKNJOVVEEOZ-GFCCVEGCSA-N 2 1 224.348 1.051 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618296 969176860 /nfs/dbraw/zinc/17/68/60/969176860.db2.gz VUKIUBOYSFXKRD-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618296 969176864 /nfs/dbraw/zinc/17/68/64/969176864.db2.gz VUKIUBOYSFXKRD-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618296 969176867 /nfs/dbraw/zinc/17/68/67/969176867.db2.gz VUKIUBOYSFXKRD-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP CCCCC[C@@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001253521005 969197195 /nfs/dbraw/zinc/19/71/95/969197195.db2.gz YNDOWJCIDATYPS-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001253521005 969197198 /nfs/dbraw/zinc/19/71/98/969197198.db2.gz YNDOWJCIDATYPS-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CN(c1ccc2c([nH+]1)CCC2)C1CC[NH2+]CC1 ZINC001156171870 969207868 /nfs/dbraw/zinc/20/78/68/969207868.db2.gz GTCGHGLPMMNDTI-UHFFFAOYSA-N 2 1 231.343 1.759 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncnc2)CCC[C@H]1C[NH3+] ZINC001205992026 969213262 /nfs/dbraw/zinc/21/32/62/969213262.db2.gz CXCUNVWQXSTTRW-YPMHNXCESA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc[nH]2)CCC[C@H]1C[NH3+] ZINC001205992828 969220692 /nfs/dbraw/zinc/22/06/92/969220692.db2.gz GCJMMRANJXMERQ-RYUDHWBXSA-N 2 1 221.348 1.822 20 0 BDADMP [NH3+]CCc1cnn(-c2cccn3c[nH+]cc23)c1 ZINC001168952122 969293365 /nfs/dbraw/zinc/29/33/65/969293365.db2.gz FQMIIJTYWBBOFF-UHFFFAOYSA-N 2 1 227.271 1.021 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]cn2)CCC[C@H]1C[NH3+] ZINC001205996057 969295007 /nfs/dbraw/zinc/29/50/07/969295007.db2.gz UIIZMODHSHFHSR-QWRGUYRKSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@H]1C[N@H+](Cc2cnc[nH]2)CCC[C@H]1C[NH3+] ZINC001205996057 969295015 /nfs/dbraw/zinc/29/50/15/969295015.db2.gz UIIZMODHSHFHSR-QWRGUYRKSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc[nH]2)CCC[C@H]1C[NH3+] ZINC001205996057 969295026 /nfs/dbraw/zinc/29/50/26/969295026.db2.gz UIIZMODHSHFHSR-QWRGUYRKSA-N 2 1 222.336 1.217 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001205996049 969324971 /nfs/dbraw/zinc/32/49/71/969324971.db2.gz UFPDFOBMSQATQY-WCQYABFASA-N 2 1 248.374 1.592 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncccc2N)CCC[C@@H]1C[NH3+] ZINC001205996342 969367066 /nfs/dbraw/zinc/36/70/66/969367066.db2.gz WHLZSCXOBOQNTO-VXGBXAGGSA-N 2 1 248.374 1.471 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](O)C(C)C ZINC001253766814 969388211 /nfs/dbraw/zinc/38/82/11/969388211.db2.gz FBKWLHCQFSVLJD-CYBMUJFWSA-N 2 1 230.396 1.667 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169099127 969388561 /nfs/dbraw/zinc/38/85/61/969388561.db2.gz NTYKRDFNCCTRQQ-WOPNUFJOSA-N 2 1 224.348 1.379 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1C[C@@](C)(O)C1)C2 ZINC001169098463 969390805 /nfs/dbraw/zinc/39/08/05/969390805.db2.gz IKALTWVLEBJBSE-KLLCGCCRSA-N 2 1 238.375 1.362 20 0 BDADMP Cc1cnc(C[NH3+])n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098618 969392086 /nfs/dbraw/zinc/39/20/86/969392086.db2.gz JXJNFTWDVWMYBR-ZSBIGDGJSA-N 2 1 234.347 1.448 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])cn1)C2 ZINC001169097839 969393699 /nfs/dbraw/zinc/39/36/99/969393699.db2.gz CLDCPDOHDXUURE-CLLJXQQHSA-N 2 1 234.347 1.182 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)C2 ZINC001169077870 969400558 /nfs/dbraw/zinc/40/05/58/969400558.db2.gz AYCVRPATHSXXSV-ZAEXQNMVSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(C[NH3+])cc1=N)C2 ZINC001169091184 969409440 /nfs/dbraw/zinc/40/94/40/969409440.db2.gz PAGDJAFXXUXADU-CLLJXQQHSA-N 2 1 246.358 1.224 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)O ZINC001169119411 969413909 /nfs/dbraw/zinc/41/39/09/969413909.db2.gz SVTNVVICCWNZIV-KKOKHZNYSA-N 2 1 226.364 1.361 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@]1(C)CCOC1)C2 ZINC001169118280 969414250 /nfs/dbraw/zinc/41/42/50/969414250.db2.gz GOSPBEKEPWVOTD-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]1C1CC1)C2 ZINC001169123712 969417614 /nfs/dbraw/zinc/41/76/14/969417614.db2.gz MPKDTWVBKZRKPV-NDKCEZKHSA-N 2 1 220.360 2.000 20 0 BDADMP CCC[N@@H+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124858 969428308 /nfs/dbraw/zinc/42/83/08/969428308.db2.gz FQGUEHYDXAXUSC-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[NH+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124858 969428311 /nfs/dbraw/zinc/42/83/11/969428311.db2.gz FQGUEHYDXAXUSC-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[NH+](CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124858 969428318 /nfs/dbraw/zinc/42/83/18/969428318.db2.gz FQGUEHYDXAXUSC-WDNDVIMCSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125974 969428351 /nfs/dbraw/zinc/42/83/51/969428351.db2.gz OJJOTOKQUWINKI-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125974 969428355 /nfs/dbraw/zinc/42/83/55/969428355.db2.gz OJJOTOKQUWINKI-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125974 969428361 /nfs/dbraw/zinc/42/83/61/969428361.db2.gz OJJOTOKQUWINKI-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125974 969428365 /nfs/dbraw/zinc/42/83/65/969428365.db2.gz OJJOTOKQUWINKI-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001169126971 969433882 /nfs/dbraw/zinc/43/38/82/969433882.db2.gz YNYABJPYUYOPNU-RGDJUOJXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1O ZINC001169126971 969433887 /nfs/dbraw/zinc/43/38/87/969433887.db2.gz YNYABJPYUYOPNU-RGDJUOJXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1O ZINC001169126971 969433894 /nfs/dbraw/zinc/43/38/94/969433894.db2.gz YNYABJPYUYOPNU-RGDJUOJXSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001169143955 969462209 /nfs/dbraw/zinc/46/22/09/969462209.db2.gz GZQIZVMGECFTCH-PDWCTOEPSA-N 2 1 236.359 1.332 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001169143955 969462217 /nfs/dbraw/zinc/46/22/17/969462217.db2.gz GZQIZVMGECFTCH-PDWCTOEPSA-N 2 1 236.359 1.332 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001169143955 969462224 /nfs/dbraw/zinc/46/22/24/969462224.db2.gz GZQIZVMGECFTCH-PDWCTOEPSA-N 2 1 236.359 1.332 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3CC(C3)C1)C2 ZINC001169153653 969475864 /nfs/dbraw/zinc/47/58/64/969475864.db2.gz KTCZFQOJHNBXHS-MOIJGLSHSA-N 2 1 220.360 1.953 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3CC(C3)C1)C2 ZINC001169153653 969475872 /nfs/dbraw/zinc/47/58/72/969475872.db2.gz KTCZFQOJHNBXHS-MOIJGLSHSA-N 2 1 220.360 1.953 20 0 BDADMP CCCC[N@@H+](C)CCNC1CC[NH+](CC)CC1 ZINC001169221789 969493597 /nfs/dbraw/zinc/49/35/97/969493597.db2.gz MCCJAAOXTBJBNL-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC001169245200 969527820 /nfs/dbraw/zinc/52/78/20/969527820.db2.gz BRTIHORKCHZKJG-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC001169245200 969527826 /nfs/dbraw/zinc/52/78/26/969527826.db2.gz BRTIHORKCHZKJG-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CCN1CCC([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC1 ZINC001169246270 969533553 /nfs/dbraw/zinc/53/35/53/969533553.db2.gz RTAZKOWQBJUQNN-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC1 ZINC001169246270 969533558 /nfs/dbraw/zinc/53/35/58/969533558.db2.gz RTAZKOWQBJUQNN-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC1 ZINC001169246270 969533563 /nfs/dbraw/zinc/53/35/63/969533563.db2.gz RTAZKOWQBJUQNN-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001169251752 969544777 /nfs/dbraw/zinc/54/47/77/969544777.db2.gz ZFNIBAPPCBVAJQ-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001169251752 969544780 /nfs/dbraw/zinc/54/47/80/969544780.db2.gz ZFNIBAPPCBVAJQ-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001209729526 969586217 /nfs/dbraw/zinc/58/62/17/969586217.db2.gz NFCFEZNBHZDPRH-CQSZACIVSA-N 2 1 247.342 1.497 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001209729526 969586228 /nfs/dbraw/zinc/58/62/28/969586228.db2.gz NFCFEZNBHZDPRH-CQSZACIVSA-N 2 1 247.342 1.497 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733019 969592091 /nfs/dbraw/zinc/59/20/91/969592091.db2.gz OYOWIZDCTCEUOQ-FZMZJTMJSA-N 2 1 246.358 1.020 20 0 BDADMP CC[N@H+](C)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254389266 969607579 /nfs/dbraw/zinc/60/75/79/969607579.db2.gz PQXXZNHOVQBIOL-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254389266 969607583 /nfs/dbraw/zinc/60/75/83/969607583.db2.gz PQXXZNHOVQBIOL-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP [NH3+]CC[N@H+](CCO)C1CCc2ccccc2CC1 ZINC001254450066 969642983 /nfs/dbraw/zinc/64/29/83/969642983.db2.gz FGTWWLNUQDMNNW-UHFFFAOYSA-N 2 1 248.370 1.187 20 0 BDADMP [NH3+]CC[N@@H+](CCO)C1CCc2ccccc2CC1 ZINC001254450066 969642987 /nfs/dbraw/zinc/64/29/87/969642987.db2.gz FGTWWLNUQDMNNW-UHFFFAOYSA-N 2 1 248.370 1.187 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC001254497842 969661601 /nfs/dbraw/zinc/66/16/01/969661601.db2.gz OGZWIIFXONFDIS-NWDGAFQWSA-N 2 1 238.331 1.387 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CC(C)(C)O2)CC1 ZINC001254503635 969665693 /nfs/dbraw/zinc/66/56/93/969665693.db2.gz NZKVZHFXDMWUCV-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCn2cccc2)CC1 ZINC001254501324 969665745 /nfs/dbraw/zinc/66/57/45/969665745.db2.gz SQXKFJZCKRDPQV-ZDUSSCGKSA-N 2 1 221.348 1.562 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC001254502536 969665792 /nfs/dbraw/zinc/66/57/92/969665792.db2.gz FKMWYZUPZOSYSQ-MELADBBJSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1cnc(C[NH3+])n1[C@H]1CCC[N@H+](C)CC1 ZINC001254506209 969674119 /nfs/dbraw/zinc/67/41/19/969674119.db2.gz PCAFCWCPUCGNBS-NSHDSACASA-N 2 1 222.336 1.307 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC(=O)C2)CC1 ZINC001254506863 969676248 /nfs/dbraw/zinc/67/62/48/969676248.db2.gz BROCYHXRHMNVSG-VXGBXAGGSA-N 2 1 224.348 1.572 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC(=O)C2)CC1 ZINC001254506863 969676256 /nfs/dbraw/zinc/67/62/56/969676256.db2.gz BROCYHXRHMNVSG-VXGBXAGGSA-N 2 1 224.348 1.572 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@]2(C)CCOC2)CC1 ZINC001254512198 969680518 /nfs/dbraw/zinc/68/05/18/969680518.db2.gz KGYLEINKYXRCMR-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001254511518 969682900 /nfs/dbraw/zinc/68/29/00/969682900.db2.gz BKKYRXVMZKGOHF-GRYCIOLGSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001254511518 969682903 /nfs/dbraw/zinc/68/29/03/969682903.db2.gz BKKYRXVMZKGOHF-GRYCIOLGSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C)(O)CC2)CC1 ZINC001254515834 969686475 /nfs/dbraw/zinc/68/64/75/969686475.db2.gz DUPCMJLMTYUYFZ-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CCOC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522980 969705311 /nfs/dbraw/zinc/70/53/11/969705311.db2.gz LICFGNGZASZZAN-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254528529 969716016 /nfs/dbraw/zinc/71/60/16/969716016.db2.gz GQRYEVIKDLXFKU-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254528529 969716021 /nfs/dbraw/zinc/71/60/21/969716021.db2.gz GQRYEVIKDLXFKU-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254528529 969716026 /nfs/dbraw/zinc/71/60/26/969716026.db2.gz GQRYEVIKDLXFKU-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1nc2c(n1[C@H]1CCC[N@H+](C)CC1)C[NH2+]CC2 ZINC001254528816 969721422 /nfs/dbraw/zinc/72/14/22/969721422.db2.gz IBZKABZNAXEWGY-LBPRGKRZSA-N 2 1 248.374 1.494 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC001254533026 969729189 /nfs/dbraw/zinc/72/91/89/969729189.db2.gz ISCWCRPFFYEJNL-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)[C@@H](C)C1 ZINC001254533026 969729198 /nfs/dbraw/zinc/72/91/98/969729198.db2.gz ISCWCRPFFYEJNL-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)[C@@H](C)C1 ZINC001254533026 969729206 /nfs/dbraw/zinc/72/92/06/969729206.db2.gz ISCWCRPFFYEJNL-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP Nc1cc(Cl)cc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001169559044 969756814 /nfs/dbraw/zinc/75/68/14/969756814.db2.gz YPFUFTMNBZGIHA-SECBINFHSA-N 2 1 240.738 1.871 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCCN(C(C)=O)C1 ZINC001169573868 969768797 /nfs/dbraw/zinc/76/87/97/969768797.db2.gz IPEZHIFZELICOJ-CYBMUJFWSA-N 2 1 241.379 1.058 20 0 BDADMP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254921312 969820635 /nfs/dbraw/zinc/82/06/35/969820635.db2.gz AUUQDBKAWKQENC-WUHRBBMRSA-N 2 1 236.359 1.285 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254921312 969820637 /nfs/dbraw/zinc/82/06/37/969820637.db2.gz AUUQDBKAWKQENC-WUHRBBMRSA-N 2 1 236.359 1.285 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254922200 969821722 /nfs/dbraw/zinc/82/17/22/969821722.db2.gz MZXRZATVEGTUFY-ITGUQSILSA-N 2 1 247.342 1.539 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)C1Cc2ccccc2C1 ZINC001255014712 969847352 /nfs/dbraw/zinc/84/73/52/969847352.db2.gz HUTASIHDAIEFTB-LLVKDONJSA-N 2 1 218.344 1.680 20 0 BDADMP CC1([NH3+])CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255106492 969937364 /nfs/dbraw/zinc/93/73/64/969937364.db2.gz WKWZIJVYWYRYDP-AWEZNQCLSA-N 2 1 245.370 1.294 20 0 BDADMP CC1(C)CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001255297715 970062398 /nfs/dbraw/zinc/06/23/98/970062398.db2.gz VYCBYGZFOGBJRH-UHFFFAOYSA-N 2 1 214.353 1.208 20 0 BDADMP CC1(C)CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001255297715 970062401 /nfs/dbraw/zinc/06/24/01/970062401.db2.gz VYCBYGZFOGBJRH-UHFFFAOYSA-N 2 1 214.353 1.208 20 0 BDADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C)C2)[C@H](C)C1 ZINC001255425464 970149830 /nfs/dbraw/zinc/14/98/30/970149830.db2.gz GNUDTNAFAOYPGH-RDBSUJKOSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001255425464 970149837 /nfs/dbraw/zinc/14/98/37/970149837.db2.gz GNUDTNAFAOYPGH-RDBSUJKOSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001255425464 970149841 /nfs/dbraw/zinc/14/98/41/970149841.db2.gz GNUDTNAFAOYPGH-RDBSUJKOSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001255425464 970149849 /nfs/dbraw/zinc/14/98/49/970149849.db2.gz GNUDTNAFAOYPGH-RDBSUJKOSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001255425464 970149853 /nfs/dbraw/zinc/14/98/53/970149853.db2.gz GNUDTNAFAOYPGH-RDBSUJKOSA-N 2 1 239.407 1.399 20 0 BDADMP CN(CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC001255435292 970159644 /nfs/dbraw/zinc/15/96/44/970159644.db2.gz DGQIGZXCVPWBFW-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CCN(CC[NH+](CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC001255435636 970163463 /nfs/dbraw/zinc/16/34/63/970163463.db2.gz JRUBMXXTNFGPEQ-ZDUSSCGKSA-N 2 1 227.396 1.354 20 0 BDADMP Cn1c[nH+]cc1Nc1cc[nH+]c(CO)c1 ZINC001211246443 970193860 /nfs/dbraw/zinc/19/38/60/970193860.db2.gz ATDZUKVKDDQBFL-UHFFFAOYSA-N 2 1 204.233 1.051 20 0 BDADMP C[N@H+]1CCC[C@@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001255469525 970198359 /nfs/dbraw/zinc/19/83/59/970198359.db2.gz CJNMEPQRPUJQLR-LLVKDONJSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001255493642 970249941 /nfs/dbraw/zinc/24/99/41/970249941.db2.gz DZXXFTCUGVRRQF-CQSZACIVSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001255493640 970255174 /nfs/dbraw/zinc/25/51/74/970255174.db2.gz DZXXFTCUGVRRQF-AWEZNQCLSA-N 2 1 237.391 1.251 20 0 BDADMP CN1CCC[C@H]([N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C1 ZINC001255495470 970261759 /nfs/dbraw/zinc/26/17/59/970261759.db2.gz PTLWANKKMPLVCE-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCOC(C)(C)C1 ZINC001255534293 970299035 /nfs/dbraw/zinc/29/90/35/970299035.db2.gz CGNMWAHUEYVWMK-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP CCN(c1[nH+]ccc2c1ccn2C)C1C[NH+](C)C1 ZINC001157455291 970314670 /nfs/dbraw/zinc/31/46/70/970314670.db2.gz GZXGWUBWTBSQQG-UHFFFAOYSA-N 2 1 244.342 1.714 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)COC ZINC001255557642 970334433 /nfs/dbraw/zinc/33/44/33/970334433.db2.gz YDVNXVIQQSAKMR-LBPRGKRZSA-N 2 1 216.369 1.733 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@@H](C)COC)CC1 ZINC001255575565 970371456 /nfs/dbraw/zinc/37/14/56/970371456.db2.gz AEQNCUYFRRRLSR-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)COC)CC1 ZINC001255575565 970371466 /nfs/dbraw/zinc/37/14/66/970371466.db2.gz AEQNCUYFRRRLSR-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP COC1(C)C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255674341 970453737 /nfs/dbraw/zinc/45/37/37/970453737.db2.gz QGGSDJSXJGHMLA-FUNVUKJBSA-N 2 1 238.375 1.722 20 0 BDADMP COC1(C)C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255674341 970453739 /nfs/dbraw/zinc/45/37/39/970453739.db2.gz QGGSDJSXJGHMLA-FUNVUKJBSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+](CCO)CCC[NH2+]C1CCCCCC1 ZINC001255886936 970547242 /nfs/dbraw/zinc/54/72/42/970547242.db2.gz IYMHGYVUKKMLBN-UHFFFAOYSA-N 2 1 228.380 1.613 20 0 BDADMP CCC[C@H]([NH2+][C@H](C)CC[NH+](CC)CC)C(N)=O ZINC001255950301 970562584 /nfs/dbraw/zinc/56/25/84/970562584.db2.gz HDGKZWBPQBETQA-NEPJUHHUSA-N 2 1 243.395 1.350 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)CN(C)C ZINC001255943416 970565616 /nfs/dbraw/zinc/56/56/16/970565616.db2.gz MIHQVUAJECTXBN-OLZOCXBDSA-N 2 1 229.412 1.647 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001255939132 970572099 /nfs/dbraw/zinc/57/20/99/970572099.db2.gz ALCZLKYYTFLZCM-MELADBBJSA-N 3 1 241.423 1.966 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](CO)C1 ZINC001255960552 970603141 /nfs/dbraw/zinc/60/31/41/970603141.db2.gz IKIXHNNCCCODGK-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C1CC1[NH+]1CCC(N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001256083363 970655197 /nfs/dbraw/zinc/65/51/97/970655197.db2.gz SWXFVJNLUHXWCF-CQSZACIVSA-N 2 1 235.375 1.003 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2ccccc2O)CC1 ZINC001256197240 970688553 /nfs/dbraw/zinc/68/85/53/970688553.db2.gz CSVGDVAGNJRMOA-UHFFFAOYSA-N 2 1 234.343 1.619 20 0 BDADMP C[NH+]1CCC([NH2+]CC(C)(C)c2cnccn2)CC1 ZINC001256195276 970690360 /nfs/dbraw/zinc/69/03/60/970690360.db2.gz IKSFTWUUIUVOQU-UHFFFAOYSA-N 2 1 248.374 1.438 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@](O)(CF)CC2)CC1 ZINC001256203436 970705659 /nfs/dbraw/zinc/70/56/59/970705659.db2.gz XSEKQCGFSUBCDM-CYBMUJFWSA-N 2 1 244.354 1.267 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@](O)(CF)CC2)CC1 ZINC001256203436 970705668 /nfs/dbraw/zinc/70/56/68/970705668.db2.gz XSEKQCGFSUBCDM-CYBMUJFWSA-N 2 1 244.354 1.267 20 0 BDADMP CN1CCC([N@H+]2CCC3(C2)CCOCC3)CC1 ZINC001256207388 970709905 /nfs/dbraw/zinc/70/99/05/970709905.db2.gz HBQACQRPPOBWTI-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC3(C2)CCOCC3)CC1 ZINC001256207388 970709914 /nfs/dbraw/zinc/70/99/14/970709914.db2.gz HBQACQRPPOBWTI-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC3(C2)CCOCC3)CC1 ZINC001256207388 970709920 /nfs/dbraw/zinc/70/99/20/970709920.db2.gz HBQACQRPPOBWTI-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C1CC[NH+](C)CC1 ZINC001256209482 970709938 /nfs/dbraw/zinc/70/99/38/970709938.db2.gz WWMYIKVGCUSDIU-JSGCOSHPSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000401664825 970715234 /nfs/dbraw/zinc/71/52/34/970715234.db2.gz WRIYDOFOUIUCMQ-AAEUAGOBSA-N 2 1 248.374 1.719 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000401858525 970740787 /nfs/dbraw/zinc/74/07/87/970740787.db2.gz HFXCGTZALAWLJT-IJLUTSLNSA-N 2 1 224.348 1.238 20 0 BDADMP Cc1cnc(C[NH+]2CCC(F)(C[NH3+])CC2)s1 ZINC001222538432 972553591 /nfs/dbraw/zinc/55/35/91/972553591.db2.gz MUBZIYFPYWFTMX-UHFFFAOYSA-N 2 1 243.351 1.714 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2cncc(F)c2)CC1 ZINC001222533407 972554556 /nfs/dbraw/zinc/55/45/56/972554556.db2.gz XWNVNGQCAXSVOX-UHFFFAOYSA-N 2 1 241.285 1.484 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001222573717 972575540 /nfs/dbraw/zinc/57/55/40/972575540.db2.gz CCXONMFRSYCGCA-GFCCVEGCSA-N 2 1 212.337 1.370 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548075 972674524 /nfs/dbraw/zinc/67/45/24/972674524.db2.gz QOTPZVITMYTQLG-YNEHKIRRSA-N 3 1 225.380 1.330 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548075 972674536 /nfs/dbraw/zinc/67/45/36/972674536.db2.gz QOTPZVITMYTQLG-YNEHKIRRSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553597 972751407 /nfs/dbraw/zinc/75/14/07/972751407.db2.gz BNEOQQJGGNXRRC-DCAQKATOSA-N 2 1 248.317 1.470 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@@H](C)[NH2+]C)[C@@H](C)C1 ZINC001327838034 972754143 /nfs/dbraw/zinc/75/41/43/972754143.db2.gz CPXHZNNKZOLGSP-XQQFMLRXSA-N 2 1 227.396 1.304 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)[C@@H](C)C1 ZINC001327838034 972754155 /nfs/dbraw/zinc/75/41/55/972754155.db2.gz CPXHZNNKZOLGSP-XQQFMLRXSA-N 3 1 227.396 1.304 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)[C@@H](C)C1 ZINC001327838034 972754164 /nfs/dbraw/zinc/75/41/64/972754164.db2.gz CPXHZNNKZOLGSP-XQQFMLRXSA-N 3 1 227.396 1.304 20 0 BDADMP CCCC[C@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560733 972793664 /nfs/dbraw/zinc/79/36/64/972793664.db2.gz SPZQNHZMTOCAJJ-YNEHKIRRSA-N 2 1 228.380 1.739 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568870 972827282 /nfs/dbraw/zinc/82/72/82/972827282.db2.gz SLNAOUAZXSAQJF-GRYCIOLGSA-N 2 1 214.353 1.469 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568870 972827291 /nfs/dbraw/zinc/82/72/91/972827291.db2.gz SLNAOUAZXSAQJF-GRYCIOLGSA-N 2 1 214.353 1.469 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246581995 972943515 /nfs/dbraw/zinc/94/35/15/972943515.db2.gz LYSFVZJDJXJBQH-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CCO1 ZINC001246584218 972956378 /nfs/dbraw/zinc/95/63/78/972956378.db2.gz TWZWUSTYZDPACN-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH2+]1 ZINC001246599971 973022128 /nfs/dbraw/zinc/02/21/28/973022128.db2.gz QLEVCFUPSOLQEO-RVMXOQNASA-N 2 1 226.364 1.362 20 0 BDADMP CCCC[C@H](CC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246641551 973062679 /nfs/dbraw/zinc/06/26/79/973062679.db2.gz JBAFKBNWPNZEED-KBPBESRZSA-N 2 1 239.407 1.593 20 0 BDADMP Cc1[nH+]cc2n1CCN([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246661307 973077460 /nfs/dbraw/zinc/07/74/60/973077460.db2.gz LAJOPWKEMIYYIE-PWSUYJOCSA-N 2 1 234.347 1.148 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670079 973079115 /nfs/dbraw/zinc/07/91/15/973079115.db2.gz WFFAZSYEPLDAFS-YTWAJWBKSA-N 2 1 246.301 1.093 20 0 BDADMP CO[C@@H]1CCC[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC001246756822 973085299 /nfs/dbraw/zinc/08/52/99/973085299.db2.gz AECWNZVYTPADFE-KWCYVHTRSA-N 2 1 238.375 1.485 20 0 BDADMP CCOC(=O)[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246815006 973109327 /nfs/dbraw/zinc/10/93/27/973109327.db2.gz BIRZVLPKYKSCNS-WOPDTQHZSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H]1C[C@@H](N2CC3(C2)CCC[NH2+]CC3)CC[NH2+]1 ZINC001246853843 973160591 /nfs/dbraw/zinc/16/05/91/973160591.db2.gz LRTGHJFATGHKJC-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603284 973180452 /nfs/dbraw/zinc/18/04/52/973180452.db2.gz WOQIEYJWGLFCRQ-NEPJUHHUSA-N 2 1 243.395 1.219 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCc3ccccc3CC1)C2 ZINC001246866683 973228847 /nfs/dbraw/zinc/22/88/47/973228847.db2.gz GKAQEHOOFCVNAG-HOCLYGCPSA-N 2 1 242.366 1.967 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](C1CCc3ccccc3CC1)C2 ZINC001246866683 973228871 /nfs/dbraw/zinc/22/88/71/973228871.db2.gz GKAQEHOOFCVNAG-HOCLYGCPSA-N 2 1 242.366 1.967 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C[NH2+]1 ZINC001246875161 973270846 /nfs/dbraw/zinc/27/08/46/973270846.db2.gz XQPBCQDUYOSPGS-UHFZAUJKSA-N 2 1 212.312 1.274 20 0 BDADMP CN1CCC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246923311 973545457 /nfs/dbraw/zinc/54/54/57/973545457.db2.gz YVSUYSOBUKAAEK-WQKZHXONSA-N 2 1 249.402 1.295 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCc2cccc(F)c2C1 ZINC001246981958 973747828 /nfs/dbraw/zinc/74/78/28/973747828.db2.gz VARNMXZLFQAJRZ-CMPLNLGQSA-N 2 1 236.334 1.962 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2cccc(F)c2C1 ZINC001246981958 973747834 /nfs/dbraw/zinc/74/78/34/973747834.db2.gz VARNMXZLFQAJRZ-CMPLNLGQSA-N 2 1 236.334 1.962 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000234800647 973766126 /nfs/dbraw/zinc/76/61/26/973766126.db2.gz DVKWUXRVTPFFLI-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)C[C@@H]1C ZINC001246986434 973772600 /nfs/dbraw/zinc/77/26/00/973772600.db2.gz DEEARRPLGVIDMF-MROQNXINSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]([NH3+])C3(COC3)C2)C[C@@H]1C ZINC001246986434 973772614 /nfs/dbraw/zinc/77/26/14/973772614.db2.gz DEEARRPLGVIDMF-MROQNXINSA-N 2 1 238.375 1.471 20 0 BDADMP C1[NH2+]CC12CC[C@@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247014095 973794351 /nfs/dbraw/zinc/79/43/51/973794351.db2.gz IYBKLBGKKPHIBK-BFHYXJOUSA-N 3 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12CC[C@@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247014095 973794364 /nfs/dbraw/zinc/79/43/64/973794364.db2.gz IYBKLBGKKPHIBK-BFHYXJOUSA-N 3 1 249.402 1.202 20 0 BDADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(C)C ZINC001148578965 973867861 /nfs/dbraw/zinc/86/78/61/973867861.db2.gz YBDZDLZDAMGVED-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP c1[nH+]cn2cccc(NC[C@H]3CCCC[NH2+]3)c12 ZINC001171335657 973878781 /nfs/dbraw/zinc/87/87/81/973878781.db2.gz QBHIUCVRWPBIME-LLVKDONJSA-N 2 1 230.315 1.888 20 0 BDADMP C[N@H+]1CCC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224743491 973904622 /nfs/dbraw/zinc/90/46/22/973904622.db2.gz ATOISIAUNKOSOZ-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP [NH3+][C@@H]1C[C@H]1N[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345607 973928680 /nfs/dbraw/zinc/92/86/80/973928680.db2.gz LEKKSYMKZDPXRU-OASPWFOLSA-N 2 1 238.281 1.511 20 0 BDADMP C[NH+]1CC(OCCC[NH+]2CCCCC2)C1 ZINC001224855674 974028350 /nfs/dbraw/zinc/02/83/50/974028350.db2.gz RLOSDSJWPJQIJX-UHFFFAOYSA-N 2 1 212.337 1.193 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171732024 974139198 /nfs/dbraw/zinc/13/91/98/974139198.db2.gz GJOLVGBEXUVFTN-FAAHXZRKSA-N 2 1 245.370 1.339 20 0 BDADMP C[C@H]1C[C@@H](N[C@@H]2C[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171732027 974140799 /nfs/dbraw/zinc/14/07/99/974140799.db2.gz GJOLVGBEXUVFTN-ZGKBOVNRSA-N 2 1 245.370 1.339 20 0 BDADMP CSCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153683 974224924 /nfs/dbraw/zinc/22/49/24/974224924.db2.gz DRISWVIAHPDWPF-ZJUUUORDSA-N 2 1 220.357 1.501 20 0 BDADMP CSCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153683 974224933 /nfs/dbraw/zinc/22/49/33/974224933.db2.gz DRISWVIAHPDWPF-ZJUUUORDSA-N 2 1 220.357 1.501 20 0 BDADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1)C(F)(F)F ZINC001206152770 974228898 /nfs/dbraw/zinc/22/88/98/974228898.db2.gz ARVNSVNSRHGJGT-IWSPIJDZSA-N 2 1 242.260 1.946 20 0 BDADMP CC1(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)CC[NH2+]CC1 ZINC001206152846 974235968 /nfs/dbraw/zinc/23/59/68/974235968.db2.gz BPJMOQGGYYZCSA-NWDGAFQWSA-N 2 1 243.370 1.137 20 0 BDADMP c1cn2c(n1)CC[N@@H+](Cc1ccncc1)CC2 ZINC001204081285 974312354 /nfs/dbraw/zinc/31/23/54/974312354.db2.gz LKNOATVYMVJRAY-UHFFFAOYSA-N 2 1 228.299 1.336 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCCO1)C2 ZINC001172098927 974341646 /nfs/dbraw/zinc/34/16/46/974341646.db2.gz DMEVEQNBQARPAG-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP C[NH+](C)Cc1ncccc1O[C@H]1CCC[N@H+](C)C1 ZINC001225277394 974342542 /nfs/dbraw/zinc/34/25/42/974342542.db2.gz IEXFJLWDSYHWIH-LBPRGKRZSA-N 2 1 249.358 1.616 20 0 BDADMP C[NH+](C)Cc1ncccc1O[C@H]1CCC[N@@H+](C)C1 ZINC001225277394 974342549 /nfs/dbraw/zinc/34/25/49/974342549.db2.gz IEXFJLWDSYHWIH-LBPRGKRZSA-N 2 1 249.358 1.616 20 0 BDADMP CC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100067 974347925 /nfs/dbraw/zinc/34/79/25/974347925.db2.gz MJGGDWDNFPIDTL-LPWJVIDDSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100481 974348178 /nfs/dbraw/zinc/34/81/78/974348178.db2.gz RGHTWCDQEWJELE-LBELIVKGSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100481 974348183 /nfs/dbraw/zinc/34/81/83/974348183.db2.gz RGHTWCDQEWJELE-LBELIVKGSA-N 2 1 208.349 2.000 20 0 BDADMP CC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103390 974360813 /nfs/dbraw/zinc/36/08/13/974360813.db2.gz UGYUDKIMBYTRDC-YVECIDJPSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCOC1)C2 ZINC001172103113 974361478 /nfs/dbraw/zinc/36/14/78/974361478.db2.gz RZEWOEKBDDQEQD-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCOC1)C2 ZINC001172103113 974361483 /nfs/dbraw/zinc/36/14/83/974361483.db2.gz RZEWOEKBDDQEQD-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172101792 974361748 /nfs/dbraw/zinc/36/17/48/974361748.db2.gz BFQQHDWOFMKXMW-KLLCGCCRSA-N 2 1 238.375 1.769 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172101792 974361759 /nfs/dbraw/zinc/36/17/59/974361759.db2.gz BFQQHDWOFMKXMW-KLLCGCCRSA-N 2 1 238.375 1.769 20 0 BDADMP Cc1cnc(C[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172106493 974364308 /nfs/dbraw/zinc/36/43/08/974364308.db2.gz PJGRCXMFRXVDBB-ITGUQSILSA-N 2 1 248.374 1.838 20 0 BDADMP CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105701 974369161 /nfs/dbraw/zinc/36/91/61/974369161.db2.gz JHNXWNWGXOERPY-SYQHCUMBSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105701 974369169 /nfs/dbraw/zinc/36/91/69/974369169.db2.gz JHNXWNWGXOERPY-SYQHCUMBSA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1COC[C@@H]1F)C2 ZINC001172108974 974375671 /nfs/dbraw/zinc/37/56/71/974375671.db2.gz GAHMAURBBIDEJD-FPYNETTCSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COC[C@@H]1F)C2 ZINC001172108974 974375674 /nfs/dbraw/zinc/37/56/74/974375674.db2.gz GAHMAURBBIDEJD-FPYNETTCSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COC[C@@H]1F)C2 ZINC001172108974 974375680 /nfs/dbraw/zinc/37/56/80/974375680.db2.gz GAHMAURBBIDEJD-FPYNETTCSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCOCC1)C2 ZINC001172114990 974381042 /nfs/dbraw/zinc/38/10/42/974381042.db2.gz TUIVNDFKZFZABD-BTTYYORXSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCOCC1)C2 ZINC001172114990 974381052 /nfs/dbraw/zinc/38/10/52/974381052.db2.gz TUIVNDFKZFZABD-BTTYYORXSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCOCC1)C2 ZINC001172114990 974381059 /nfs/dbraw/zinc/38/10/59/974381059.db2.gz TUIVNDFKZFZABD-BTTYYORXSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCOCC1)C2 ZINC001172114990 974381068 /nfs/dbraw/zinc/38/10/68/974381068.db2.gz TUIVNDFKZFZABD-BTTYYORXSA-N 2 1 238.375 1.724 20 0 BDADMP CCOC1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172115884 974381183 /nfs/dbraw/zinc/38/11/83/974381183.db2.gz AIHOJYWZJBXWMD-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119978 974381255 /nfs/dbraw/zinc/38/12/55/974381255.db2.gz IDEZLXSXBAYSQH-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119978 974381263 /nfs/dbraw/zinc/38/12/63/974381263.db2.gz IDEZLXSXBAYSQH-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119978 974381271 /nfs/dbraw/zinc/38/12/71/974381271.db2.gz IDEZLXSXBAYSQH-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119978 974381277 /nfs/dbraw/zinc/38/12/77/974381277.db2.gz IDEZLXSXBAYSQH-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP Cc1nnc(C[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114358 974382474 /nfs/dbraw/zinc/38/24/74/974382474.db2.gz QZCVWSLXYGDZTL-GDNZZTSVSA-N 2 1 249.362 1.233 20 0 BDADMP COC1(C)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114312 974384750 /nfs/dbraw/zinc/38/47/50/974384750.db2.gz QGGSDJSXJGHMLA-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP COC1(C)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114312 974384760 /nfs/dbraw/zinc/38/47/60/974384760.db2.gz QGGSDJSXJGHMLA-CLLJXQQHSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H]1c2ccccc2NC1(C)C ZINC001330832918 974498044 /nfs/dbraw/zinc/49/80/44/974498044.db2.gz VFEJAZAFKOHWDI-CABZTGNLSA-N 2 1 219.332 1.869 20 0 BDADMP CC[N@H+](C)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172295920 974566046 /nfs/dbraw/zinc/56/60/46/974566046.db2.gz UHWKCGIHGHVCJU-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172295920 974566059 /nfs/dbraw/zinc/56/60/59/974566059.db2.gz UHWKCGIHGHVCJU-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172410971 974676415 /nfs/dbraw/zinc/67/64/15/974676415.db2.gz MPRKSEMGIMEZJO-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001172422754 974697794 /nfs/dbraw/zinc/69/77/94/974697794.db2.gz IHUHBBPEIGLIPG-AGIUHOORSA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001172422754 974697797 /nfs/dbraw/zinc/69/77/97/974697797.db2.gz IHUHBBPEIGLIPG-AGIUHOORSA-N 2 1 228.380 1.731 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc(C)s1 ZINC001331418909 974712838 /nfs/dbraw/zinc/71/28/38/974712838.db2.gz MAGOZAWNIZFKKZ-MRVPVSSYSA-N 2 1 213.350 1.539 20 0 BDADMP C[N@H+]1CC[C@@H](Oc2cc(N)nc3ccccc32)C1 ZINC001226415901 974889737 /nfs/dbraw/zinc/88/97/37/974889737.db2.gz ASFWEIGTYWDZSS-SNVBAGLBSA-N 2 1 243.310 1.900 20 0 BDADMP C[N@@H+]1CC[C@@H](Oc2cc(N)[nH+]c3ccccc32)C1 ZINC001226415901 974889740 /nfs/dbraw/zinc/88/97/40/974889740.db2.gz ASFWEIGTYWDZSS-SNVBAGLBSA-N 2 1 243.310 1.900 20 0 BDADMP C[N@H+]1CC[C@@H](Oc2cc(N)[nH+]c3ccccc32)C1 ZINC001226415901 974889745 /nfs/dbraw/zinc/88/97/45/974889745.db2.gz ASFWEIGTYWDZSS-SNVBAGLBSA-N 2 1 243.310 1.900 20 0 BDADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172745332 974919755 /nfs/dbraw/zinc/91/97/55/974919755.db2.gz CUMKSRRCFHZFNV-JTQLQIEISA-N 2 1 230.352 1.434 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cn1 ZINC001206174572 974926603 /nfs/dbraw/zinc/92/66/03/974926603.db2.gz OGPQXZZCJPVBIZ-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cn1 ZINC001206174572 974926607 /nfs/dbraw/zinc/92/66/07/974926607.db2.gz OGPQXZZCJPVBIZ-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001172929558 974977183 /nfs/dbraw/zinc/97/71/83/974977183.db2.gz FYCBPKSZHFBJAL-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226653999 974999786 /nfs/dbraw/zinc/99/97/86/974999786.db2.gz VXYFLZGQFHWKPP-GFCCVEGCSA-N 2 1 235.331 1.915 20 0 BDADMP Nc1cc(OC2CC[NH+](CCF)CC2)cc[nH+]1 ZINC001226655130 975001273 /nfs/dbraw/zinc/00/12/73/975001273.db2.gz DUYMKZLSDXWZCC-UHFFFAOYSA-N 2 1 239.294 1.477 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001173169493 975061446 /nfs/dbraw/zinc/06/14/46/975061446.db2.gz LNNNGHOPLWOSOQ-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001173170096 975062916 /nfs/dbraw/zinc/06/29/16/975062916.db2.gz XSROZSUXWIDVPT-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001173264388 975123514 /nfs/dbraw/zinc/12/35/14/975123514.db2.gz SEGUEISRFOPIRV-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CC[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001173348563 975292092 /nfs/dbraw/zinc/29/20/92/975292092.db2.gz RBSJRUBBYWGPEL-ZIAGYGMSSA-N 2 1 245.370 1.471 20 0 BDADMP CC[N@H+]1CC[C@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001173350002 975293063 /nfs/dbraw/zinc/29/30/63/975293063.db2.gz HVSBYROIOCOBEI-LBPRGKRZSA-N 2 1 232.331 1.481 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001173355185 975311424 /nfs/dbraw/zinc/31/14/24/975311424.db2.gz NFFBWHXXBARXFI-JSGCOSHPSA-N 2 1 245.370 1.991 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC001173360817 975330947 /nfs/dbraw/zinc/33/09/47/975330947.db2.gz PUWZVVALYHNUFD-CQSZACIVSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@@H]([NH+](C)C(C)C)C2)C1 ZINC001173366583 975348625 /nfs/dbraw/zinc/34/86/25/975348625.db2.gz ARZVHZAHHIVACX-KGLIPLIRSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@@H]([N@H+](C)C(C)C)C2)C1 ZINC001173366583 975348632 /nfs/dbraw/zinc/34/86/32/975348632.db2.gz ARZVHZAHHIVACX-KGLIPLIRSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[C@@H]([N@@H+](C)C(C)C)C2)C1 ZINC001173366583 975348638 /nfs/dbraw/zinc/34/86/38/975348638.db2.gz ARZVHZAHHIVACX-KGLIPLIRSA-N 2 1 239.407 1.495 20 0 BDADMP CCN1CC[C@H]([N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C1 ZINC001173366729 975353028 /nfs/dbraw/zinc/35/30/28/975353028.db2.gz BJNDDSFNIKZKRU-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@@H+]1CC[C@H](N2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001173366729 975353032 /nfs/dbraw/zinc/35/30/32/975353032.db2.gz BJNDDSFNIKZKRU-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001173366729 975353039 /nfs/dbraw/zinc/35/30/39/975353039.db2.gz BJNDDSFNIKZKRU-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001173366729 975353045 /nfs/dbraw/zinc/35/30/45/975353045.db2.gz BJNDDSFNIKZKRU-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001173366729 975353049 /nfs/dbraw/zinc/35/30/49/975353049.db2.gz BJNDDSFNIKZKRU-MELADBBJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001173371127 975357278 /nfs/dbraw/zinc/35/72/78/975357278.db2.gz KKDJSZILYYJXHD-OLZOCXBDSA-N 2 1 248.374 1.617 20 0 BDADMP Cc1[nH+]c(C)n(C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC001334102261 976303788 /nfs/dbraw/zinc/30/37/88/976303788.db2.gz USCYJUHGTWPBGD-CYBMUJFWSA-N 2 1 237.347 1.263 20 0 BDADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCCCCN2)CC1 ZINC001334708823 976592477 /nfs/dbraw/zinc/59/24/77/976592477.db2.gz WRKRUARHNNFYLE-JXQTWKCFSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC001334763078 976628608 /nfs/dbraw/zinc/62/86/08/976628608.db2.gz PUWJMNDETXUEBR-AEJSXWLSSA-N 2 1 200.351 1.019 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC001334763078 976628615 /nfs/dbraw/zinc/62/86/15/976628615.db2.gz PUWJMNDETXUEBR-AEJSXWLSSA-N 2 1 200.351 1.019 20 0 BDADMP C[NH+](C)CCc1ccc(O[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001229658739 976934091 /nfs/dbraw/zinc/93/40/91/976934091.db2.gz YLZFGPOKWPKESJ-OAHLLOKOSA-N 2 1 248.370 1.874 20 0 BDADMP COc1[nH+]ccc(N)c1Nc1cc[nH+]c(C)c1 ZINC001174653564 976939842 /nfs/dbraw/zinc/93/98/42/976939842.db2.gz GZHOPWDHQYDJGC-UHFFFAOYSA-N 2 1 230.271 1.541 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001335469551 977079367 /nfs/dbraw/zinc/07/93/67/977079367.db2.gz NBWHKZQTIOLUBF-UKKRHICBSA-N 2 1 214.353 1.074 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CCC(C)C)C1 ZINC001335935879 977373161 /nfs/dbraw/zinc/37/31/61/977373161.db2.gz YPFVPZVVYZAFSN-KBPBESRZSA-N 2 1 242.407 1.715 20 0 BDADMP OC[C@@H]1CCCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012177 977838570 /nfs/dbraw/zinc/83/85/70/977838570.db2.gz UVOQPWYGCQDPAZ-ZDUSSCGKSA-N 2 1 245.326 1.910 20 0 BDADMP c1c(C[N@H+]2CC[C@H]3OCC[C@H]32)[nH]c2cc[nH+]cc12 ZINC001232013120 977839952 /nfs/dbraw/zinc/83/99/52/977839952.db2.gz YHWPWPQOKIPAKY-ZIAGYGMSSA-N 2 1 243.310 1.926 20 0 BDADMP CC[C@@](O)(C[NH2+]CCC[NH+](C)C)C(F)(F)F ZINC001336711608 977877447 /nfs/dbraw/zinc/87/74/47/977877447.db2.gz ZLUBUQJGIMEUHZ-SECBINFHSA-N 2 1 242.285 1.231 20 0 BDADMP C[NH+](C)CCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001206273000 978062309 /nfs/dbraw/zinc/06/23/09/978062309.db2.gz LIGPBAXESZTBSZ-ZSBIGDGJSA-N 2 1 212.337 1.190 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OCC[NH+](C)C)C1 ZINC001206278353 978146321 /nfs/dbraw/zinc/14/63/21/978146321.db2.gz LWDVEBMMHZCFHB-LLVKDONJSA-N 2 1 200.326 1.047 20 0 BDADMP Cc1cc[nH+]c(N2CC3(C2)CC[N@@H+](C)C3)c1 ZINC001277679310 978172990 /nfs/dbraw/zinc/17/29/90/978172990.db2.gz ASJMTUSRPAMAFN-UHFFFAOYSA-N 2 1 217.316 1.532 20 0 BDADMP Cc1cc[nH+]c(N2CC3(C2)CC[N@H+](C)C3)c1 ZINC001277679310 978172995 /nfs/dbraw/zinc/17/29/95/978172995.db2.gz ASJMTUSRPAMAFN-UHFFFAOYSA-N 2 1 217.316 1.532 20 0 BDADMP COCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296918 978309677 /nfs/dbraw/zinc/30/96/77/978309677.db2.gz VKQBXKRXSXTWRH-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305101 978384618 /nfs/dbraw/zinc/38/46/18/978384618.db2.gz SYVJKWADUXTICH-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)CO ZINC001178231340 978528642 /nfs/dbraw/zinc/52/86/42/978528642.db2.gz BGKBXXOPRPRTBN-UHFFFAOYSA-N 2 1 237.347 1.256 20 0 BDADMP CCC[N@H+](CC)C[C@H](C)Nc1cc(N)[nH+]cn1 ZINC001337881314 978547376 /nfs/dbraw/zinc/54/73/76/978547376.db2.gz VWSLIQKXHNCCRW-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc(N)[nH+]cn1 ZINC001337881314 978547390 /nfs/dbraw/zinc/54/73/90/978547390.db2.gz VWSLIQKXHNCCRW-JTQLQIEISA-N 2 1 237.351 1.591 20 0 BDADMP CCC(=O)C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277852111 978825588 /nfs/dbraw/zinc/82/55/88/978825588.db2.gz QXIWJCDZYCXEJZ-UHFFFAOYSA-N 2 1 224.348 1.383 20 0 BDADMP CCOCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277856361 978834830 /nfs/dbraw/zinc/83/48/30/978834830.db2.gz NPIIXWXPASXIOB-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001277856361 978834833 /nfs/dbraw/zinc/83/48/33/978834833.db2.gz NPIIXWXPASXIOB-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277856361 978834837 /nfs/dbraw/zinc/83/48/37/978834837.db2.gz NPIIXWXPASXIOB-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP C[N@@H+]1CCCC12CCN(c1cc(N)[nH+]cn1)CC2 ZINC001339648706 978887442 /nfs/dbraw/zinc/88/74/42/978887442.db2.gz KDWVMNFQSAYLJB-UHFFFAOYSA-N 2 1 247.346 1.123 20 0 BDADMP C[N@H+]1CCCC12CCN(c1cc(N)[nH+]cn1)CC2 ZINC001339648706 978887444 /nfs/dbraw/zinc/88/74/44/978887444.db2.gz KDWVMNFQSAYLJB-UHFFFAOYSA-N 2 1 247.346 1.123 20 0 BDADMP Cc1ccccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234981821 978940959 /nfs/dbraw/zinc/94/09/59/978940959.db2.gz LOTHCIOIVTYDDG-OAHLLOKOSA-N 2 1 245.370 1.132 20 0 BDADMP [NH3+]CCCC[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001235038691 978957347 /nfs/dbraw/zinc/95/73/47/978957347.db2.gz PRIUBNXVAIHKLF-BDAKNGLRSA-N 2 1 204.264 1.312 20 0 BDADMP CSCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167463 978988379 /nfs/dbraw/zinc/98/83/79/978988379.db2.gz ZTCKMXRBIIEVKM-VHSXEESVSA-N 2 1 200.351 1.163 20 0 BDADMP CSCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167463 978988382 /nfs/dbraw/zinc/98/83/82/978988382.db2.gz ZTCKMXRBIIEVKM-VHSXEESVSA-N 2 1 200.351 1.163 20 0 BDADMP c1c[nH]c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)n1 ZINC001235231580 978998477 /nfs/dbraw/zinc/99/84/77/978998477.db2.gz ULOPNPIZUMLUPK-ZDUSSCGKSA-N 2 1 248.374 1.764 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234288 979002686 /nfs/dbraw/zinc/00/26/86/979002686.db2.gz XEQOVNRATUCTLA-WCQYABFASA-N 3 1 225.380 1.188 20 0 BDADMP CC[NH2+]CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429516 979042400 /nfs/dbraw/zinc/04/24/00/979042400.db2.gz YVUUKJZTYFOUQF-UONOGXRCSA-N 3 1 239.407 1.308 20 0 BDADMP CC[NH2+]CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429516 979042404 /nfs/dbraw/zinc/04/24/04/979042404.db2.gz YVUUKJZTYFOUQF-UONOGXRCSA-N 3 1 239.407 1.308 20 0 BDADMP COCC[C@H]1CCCC[N@H+]1CCCC[NH3+] ZINC001235688573 979116052 /nfs/dbraw/zinc/11/60/52/979116052.db2.gz RDRXVALCQCMQBO-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001235713475 979130189 /nfs/dbraw/zinc/13/01/89/979130189.db2.gz FHXKMFMKAAXUSY-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP CSCCC[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235977491 979239669 /nfs/dbraw/zinc/23/96/69/979239669.db2.gz GUQAHRHJFNFKOS-VHSXEESVSA-N 2 1 200.351 1.163 20 0 BDADMP CSCCC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235977491 979239679 /nfs/dbraw/zinc/23/96/79/979239679.db2.gz GUQAHRHJFNFKOS-VHSXEESVSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001235981823 979258313 /nfs/dbraw/zinc/25/83/13/979258313.db2.gz XSJIHKYGKLXMJI-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP N[C@@]12C[C@@H]1C[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC001236016576 979307278 /nfs/dbraw/zinc/30/72/78/979307278.db2.gz PGOUNCZMEBIAPU-GHMZBOCLSA-N 2 1 230.302 1.845 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC001341336954 979341079 /nfs/dbraw/zinc/34/10/79/979341079.db2.gz LLZLRIGYUNNZOC-LLVKDONJSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@H]1C[N@H+](CCCCC[NH3+])CCN1 ZINC001236134819 979401116 /nfs/dbraw/zinc/40/11/16/979401116.db2.gz HGCVYRYCCJPMRY-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP CCCC[N@@H+](CCCC[NH3+])CC(=O)OCC ZINC001236142544 979407129 /nfs/dbraw/zinc/40/71/29/979407129.db2.gz AHCWWAODSWUWLE-UHFFFAOYSA-N 2 1 230.352 1.391 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001236183969 979438673 /nfs/dbraw/zinc/43/86/73/979438673.db2.gz NRAYQGUMELTAQI-LBPRGKRZSA-N 2 1 235.331 1.274 20 0 BDADMP CC(C)N(C)[C@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC001236207519 979449320 /nfs/dbraw/zinc/44/93/20/979449320.db2.gz BHEGJYALPMBPBR-LBPRGKRZSA-N 2 1 213.369 1.140 20 0 BDADMP CC(C)[N@H+](C)[C@H]1CCN(CCCC[NH3+])C1 ZINC001236207519 979449325 /nfs/dbraw/zinc/44/93/25/979449325.db2.gz BHEGJYALPMBPBR-LBPRGKRZSA-N 2 1 213.369 1.140 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN(CCCC[NH3+])C1 ZINC001236207519 979449330 /nfs/dbraw/zinc/44/93/30/979449330.db2.gz BHEGJYALPMBPBR-LBPRGKRZSA-N 2 1 213.369 1.140 20 0 BDADMP C[N@H+](Cc1cccc(C[NH3+])c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213685 979453383 /nfs/dbraw/zinc/45/33/83/979453383.db2.gz CYKDTPFHEGWXQO-HUUCEWRRSA-N 3 1 247.386 1.847 20 0 BDADMP C[N@@H+](Cc1cccc(C[NH3+])c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213685 979453384 /nfs/dbraw/zinc/45/33/84/979453384.db2.gz CYKDTPFHEGWXQO-HUUCEWRRSA-N 3 1 247.386 1.847 20 0 BDADMP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)no1 ZINC001236316124 979529286 /nfs/dbraw/zinc/52/92/86/979529286.db2.gz OZUYDUXQZRSFQZ-PHIMTYICSA-N 2 1 221.304 1.106 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236416710 979591157 /nfs/dbraw/zinc/59/11/57/979591157.db2.gz VVHIJUOUHWISHR-UPJWGTAASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCCN1CC[C@H]1CCC[NH2+]C1 ZINC001236416710 979591163 /nfs/dbraw/zinc/59/11/63/979591163.db2.gz VVHIJUOUHWISHR-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H](N)CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236416710 979591167 /nfs/dbraw/zinc/59/11/67/979591167.db2.gz VVHIJUOUHWISHR-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@@H](N)CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001236416710 979591175 /nfs/dbraw/zinc/59/11/75/979591175.db2.gz VVHIJUOUHWISHR-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556415 979724850 /nfs/dbraw/zinc/72/48/50/979724850.db2.gz RIDXKGNKHDLOBV-ZDUSSCGKSA-N 2 1 237.347 1.934 20 0 BDADMP Cc1ncoc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556415 979724856 /nfs/dbraw/zinc/72/48/56/979724856.db2.gz RIDXKGNKHDLOBV-ZDUSSCGKSA-N 2 1 237.347 1.934 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccncn2)C1 ZINC001206556416 979725807 /nfs/dbraw/zinc/72/58/07/979725807.db2.gz RMWSPOYXRIBIFY-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccncn2)C1 ZINC001206556416 979725818 /nfs/dbraw/zinc/72/58/18/979725818.db2.gz RMWSPOYXRIBIFY-CYBMUJFWSA-N 2 1 234.347 1.428 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255811 979736801 /nfs/dbraw/zinc/73/68/01/979736801.db2.gz LCTHXVKZDAOLER-CYBMUJFWSA-N 2 1 221.348 1.728 20 0 BDADMP CCC[N@@H+](CCCCCO)C[C@@H]1CC[NH2+]C1 ZINC001236826922 979748140 /nfs/dbraw/zinc/74/81/40/979748140.db2.gz DBCXLJDVNXWWRH-CYBMUJFWSA-N 2 1 228.380 1.471 20 0 BDADMP CC[C@H]([NH3+])CN(C)Cc1[nH+]cc2ccccn21 ZINC001236865252 979772316 /nfs/dbraw/zinc/77/23/16/979772316.db2.gz HGWDYBRNUFCVGN-NSHDSACASA-N 2 1 232.331 1.503 20 0 BDADMP CC[C@H]([NH3+])CN(C)Cc1[nH+]cn2ccccc12 ZINC001236870020 979777021 /nfs/dbraw/zinc/77/70/21/979777021.db2.gz OKRYCLIGAAVGCX-NSHDSACASA-N 2 1 232.331 1.503 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC001205263555 979799597 /nfs/dbraw/zinc/79/95/97/979799597.db2.gz ABMFFQGFYXLRAJ-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC001205263555 979799602 /nfs/dbraw/zinc/79/96/02/979799602.db2.gz ABMFFQGFYXLRAJ-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP C[NH+](C)CCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001278048644 979815032 /nfs/dbraw/zinc/81/50/32/979815032.db2.gz QEGVAYVITROLOG-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC001237187795 979837204 /nfs/dbraw/zinc/83/72/04/979837204.db2.gz KURCIPXUNBBLAW-NSHDSACASA-N 2 1 220.320 1.352 20 0 BDADMP CCC1(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237376069 979877701 /nfs/dbraw/zinc/87/77/01/979877701.db2.gz OPGQHGWMTMTZAU-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP O[C@@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238104084 980149349 /nfs/dbraw/zinc/14/93/49/980149349.db2.gz SGNCBXDZGKDCGJ-CQSZACIVSA-N 2 1 245.326 1.681 20 0 BDADMP O[C@@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238104084 980149356 /nfs/dbraw/zinc/14/93/56/980149356.db2.gz SGNCBXDZGKDCGJ-CQSZACIVSA-N 2 1 245.326 1.681 20 0 BDADMP C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc2c[nH+]cn21 ZINC001238110269 980163339 /nfs/dbraw/zinc/16/33/39/980163339.db2.gz MGKYOWMCFHROMV-KBPBESRZSA-N 2 1 242.326 1.223 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2C1 ZINC001203276931 980452311 /nfs/dbraw/zinc/45/23/11/980452311.db2.gz JGUZWHMGTMBDTI-NEPJUHHUSA-N 2 1 220.316 1.663 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2C1 ZINC001203276931 980452314 /nfs/dbraw/zinc/45/23/14/980452314.db2.gz JGUZWHMGTMBDTI-NEPJUHHUSA-N 2 1 220.316 1.663 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001345103459 980550321 /nfs/dbraw/zinc/55/03/21/980550321.db2.gz FSOAZOPXTHCMPD-RQJABVFESA-N 3 1 239.407 1.495 20 0 BDADMP Cc1cncc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC001203169959 980720786 /nfs/dbraw/zinc/72/07/86/980720786.db2.gz DQOHAUWXHYCCEZ-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP OC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCCC1 ZINC001190436691 980873872 /nfs/dbraw/zinc/87/38/72/980873872.db2.gz HKLNNJHDVZXSPR-BETUJISGSA-N 2 1 238.375 1.223 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000722691773 980908658 /nfs/dbraw/zinc/90/86/58/980908658.db2.gz ITGJVNYEATWJFL-YVECIDJPSA-N 2 1 208.349 1.716 20 0 BDADMP COc1cc(C)[nH+]cc1-c1cncc(C[NH3+])c1 ZINC001239798648 980937866 /nfs/dbraw/zinc/93/78/66/980937866.db2.gz RHOPWRFJNFHOBS-UHFFFAOYSA-N 2 1 229.283 1.919 20 0 BDADMP CCC1(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)COC1 ZINC001205601323 981158270 /nfs/dbraw/zinc/15/82/70/981158270.db2.gz DKIXKXKCEVDXQU-STQMWFEESA-N 2 1 240.391 1.720 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c(N)n1 ZINC001348173309 981304485 /nfs/dbraw/zinc/30/44/85/981304485.db2.gz UWECBGKTTPNQNV-WDEREUQCSA-N 2 1 247.346 1.122 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)o1 ZINC001205637841 981379796 /nfs/dbraw/zinc/37/97/96/981379796.db2.gz JLMKVTXZWQFZSS-PWSUYJOCSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(C2=CC[NH2+]CC2)n1 ZINC001240466760 981399842 /nfs/dbraw/zinc/39/98/42/981399842.db2.gz URLBAMWAEMMLQR-UHFFFAOYSA-N 2 1 241.298 1.347 20 0 BDADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001348854945 981462604 /nfs/dbraw/zinc/46/26/04/981462604.db2.gz FGKWRDJMBUYIEC-BARDWOONSA-N 2 1 228.339 1.790 20 0 BDADMP O[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC001580879707 981668739 /nfs/dbraw/zinc/66/87/39/981668739.db2.gz CXELTZKZHJHUDA-CABCVRRESA-N 2 1 246.354 1.376 20 0 BDADMP OC1(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC001580880498 981670571 /nfs/dbraw/zinc/67/05/71/981670571.db2.gz QGVXDOQEIGYUOQ-STQMWFEESA-N 2 1 238.375 1.223 20 0 BDADMP OC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001580882251 981685475 /nfs/dbraw/zinc/68/54/75/981685475.db2.gz PSCMJTHVVYCIDQ-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP c1[nH+]c2n(c1CN[C@]13CCC[C@H]1C[NH2+]C3)CCC2 ZINC001580897184 981730804 /nfs/dbraw/zinc/73/08/04/981730804.db2.gz IQRYXIHWUCBIRX-FZMZJTMJSA-N 2 1 246.358 1.061 20 0 BDADMP c1nc2n(c1C[NH2+]C[C@@H]1CCC[NH2+]C1)CCCC2 ZINC001580897164 981733460 /nfs/dbraw/zinc/73/34/60/981733460.db2.gz HSZZBMCAHAJPBC-GFCCVEGCSA-N 2 1 248.374 1.309 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205664062 981803938 /nfs/dbraw/zinc/80/39/38/981803938.db2.gz LCMAHZCKYCEJAD-OAHLLOKOSA-N 2 1 248.370 1.671 20 0 BDADMP C[NH+](C)CCC[N@H+](C)CCOc1ccccc1 ZINC000336711436 982085505 /nfs/dbraw/zinc/08/55/05/982085505.db2.gz MJZHTGUQSLQNDJ-UHFFFAOYSA-N 2 1 236.359 1.949 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CCOc1ccccc1 ZINC000336711436 982085510 /nfs/dbraw/zinc/08/55/10/982085510.db2.gz MJZHTGUQSLQNDJ-UHFFFAOYSA-N 2 1 236.359 1.949 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001352775827 982570451 /nfs/dbraw/zinc/57/04/51/982570451.db2.gz ATAHNPUPIDXJFK-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000238330625 982587311 /nfs/dbraw/zinc/58/73/11/982587311.db2.gz DROJZPLHJHWKEQ-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CCCCC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152432570 982680472 /nfs/dbraw/zinc/68/04/72/982680472.db2.gz LGMQCRQVHOWZEF-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2CN)c1 ZINC001205843937 982775191 /nfs/dbraw/zinc/77/51/91/982775191.db2.gz UVNBWVURQHNYRB-ZWNOBZJWSA-N 2 1 249.358 1.655 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205843937 982775216 /nfs/dbraw/zinc/77/52/16/982775216.db2.gz UVNBWVURQHNYRB-ZWNOBZJWSA-N 2 1 249.358 1.655 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205843937 982775221 /nfs/dbraw/zinc/77/52/21/982775221.db2.gz UVNBWVURQHNYRB-ZWNOBZJWSA-N 2 1 249.358 1.655 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001353936909 983088845 /nfs/dbraw/zinc/08/88/45/983088845.db2.gz WSRLUJKROJDYMP-CYBMUJFWSA-N 3 1 237.391 1.204 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001353936909 983088850 /nfs/dbraw/zinc/08/88/50/983088850.db2.gz WSRLUJKROJDYMP-CYBMUJFWSA-N 3 1 237.391 1.204 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205903643 983126201 /nfs/dbraw/zinc/12/62/01/983126201.db2.gz QMVFWKDEIPAITK-WFASDCNBSA-N 3 1 247.386 1.705 20 0 BDADMP CC(C)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201471473 983280462 /nfs/dbraw/zinc/28/04/62/983280462.db2.gz ULBAKSHBCZKIDX-UONOGXRCSA-N 2 1 239.407 1.353 20 0 BDADMP CCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201737615 983444954 /nfs/dbraw/zinc/44/49/54/983444954.db2.gz XZLKJWZNBLZHJH-UHFFFAOYSA-N 2 1 207.321 1.931 20 0 BDADMP CCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201737615 983444950 /nfs/dbraw/zinc/44/49/50/983444950.db2.gz XZLKJWZNBLZHJH-UHFFFAOYSA-N 2 1 207.321 1.931 20 0 BDADMP C[C@H](C(N)=O)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212758 983806610 /nfs/dbraw/zinc/80/66/10/983806610.db2.gz OKKWSQFOYQWLIT-LLVKDONJSA-N 2 1 249.358 1.054 20 0 BDADMP C[C@H](C(N)=O)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212758 983806612 /nfs/dbraw/zinc/80/66/12/983806612.db2.gz OKKWSQFOYQWLIT-LLVKDONJSA-N 2 1 249.358 1.054 20 0 BDADMP CCC[N@@H+](C)CCC(=O)NCC[NH+](C)C(C)C ZINC001492824239 984026996 /nfs/dbraw/zinc/02/69/96/984026996.db2.gz CBMSCWNQHLCYAF-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CCC(=O)NCC[N@H+](C)C(C)C ZINC001492824239 984027005 /nfs/dbraw/zinc/02/70/05/984027005.db2.gz CBMSCWNQHLCYAF-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CCC(=O)NCC[N@@H+](C)C(C)C ZINC001492824239 984027018 /nfs/dbraw/zinc/02/70/18/984027018.db2.gz CBMSCWNQHLCYAF-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP c1c[nH]c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001204003394 984096995 /nfs/dbraw/zinc/09/69/95/984096995.db2.gz CEFRDYBAUWUAKI-UHFFFAOYSA-N 2 1 242.326 1.732 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574796410 984118436 /nfs/dbraw/zinc/11/84/36/984118436.db2.gz WPPFARPVLVDDGL-AGIUHOORSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H](O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001576269231 984164115 /nfs/dbraw/zinc/16/41/15/984164115.db2.gz NROIECFBRJLLSK-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576272532 984164878 /nfs/dbraw/zinc/16/48/78/984164878.db2.gz LYDHRFYQWQZHNU-XQHKEYJVSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@]1(C[NH2+]C[C@@]2(C)C[NH2+]CCO2)CCCS1 ZINC001576519938 984171822 /nfs/dbraw/zinc/17/18/22/984171822.db2.gz WJSYGZKOHCDMOB-VXGBXAGGSA-N 2 1 244.404 1.240 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981808 984185194 /nfs/dbraw/zinc/18/51/94/984185194.db2.gz HHAMASGAXOSYLJ-TUAOUCFPSA-N 2 1 242.363 1.102 20 0 BDADMP CC[N@H+](C[C@@H](O)c1ccccn1)C1CC[NH2+]CC1 ZINC001577672532 984202718 /nfs/dbraw/zinc/20/27/18/984202718.db2.gz ZJMOTRKAJBZHMK-CQSZACIVSA-N 2 1 249.358 1.189 20 0 BDADMP CC[N@@H+](C[C@@H](O)c1ccccn1)C1CC[NH2+]CC1 ZINC001577672532 984202724 /nfs/dbraw/zinc/20/27/24/984202724.db2.gz ZJMOTRKAJBZHMK-CQSZACIVSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@@H+](C[C@@H](O)CC1CCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578442170 984212766 /nfs/dbraw/zinc/21/27/66/984212766.db2.gz OCZRVRSSSBHVMR-IGQOVBAYSA-N 2 1 238.375 1.077 20 0 BDADMP C[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528755 984214607 /nfs/dbraw/zinc/21/46/07/984214607.db2.gz KZKWWBDBEXAYQQ-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC001578622699 984214983 /nfs/dbraw/zinc/21/49/83/984214983.db2.gz YNKPREJXXXLMTD-STQMWFEESA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)CCC[C@H]1C[NH3+] ZINC001205984470 984217747 /nfs/dbraw/zinc/21/77/47/984217747.db2.gz SCSOIVVQJCEMIH-HZSPNIEDSA-N 2 1 238.375 1.986 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+](C)Cc1cccc(C)c1C ZINC001578652960 984219938 /nfs/dbraw/zinc/21/99/38/984219938.db2.gz QZLMUEOCIDLDCH-CQSZACIVSA-N 2 1 236.359 1.316 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1cccc(C)c1C ZINC001578652960 984219950 /nfs/dbraw/zinc/21/99/50/984219950.db2.gz QZLMUEOCIDLDCH-CQSZACIVSA-N 2 1 236.359 1.316 20 0 BDADMP C[C@H](c1ccccc1)[N@@H+](CCO)CC1C[NH2+]C1 ZINC001579486691 984282024 /nfs/dbraw/zinc/28/20/24/984282024.db2.gz NTYARBAYWOBUIM-GFCCVEGCSA-N 2 1 234.343 1.261 20 0 BDADMP C[C@H]([NH2+]C[C@@](C)(O)C[NH3+])c1ccc(F)c(F)c1 ZINC001579485905 984282424 /nfs/dbraw/zinc/28/24/24/984282424.db2.gz XKEVUDPUEHKPRH-UFBFGSQYSA-N 2 1 244.285 1.325 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cnc1F ZINC001579601653 984297719 /nfs/dbraw/zinc/29/77/19/984297719.db2.gz YLZBPNLKXAZKTA-RYUDHWBXSA-N 2 1 249.333 1.889 20 0 BDADMP Cn1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)n1 ZINC001579972837 984358404 /nfs/dbraw/zinc/35/84/04/984358404.db2.gz MKJMSUDLEBENIC-UHFFFAOYSA-N 2 1 244.342 1.211 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)n1 ZINC001579971778 984360811 /nfs/dbraw/zinc/36/08/11/984360811.db2.gz ZCYCIBPCAXDBSO-OCCSQVGLSA-N 2 1 248.374 1.371 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)n1 ZINC001579971778 984360816 /nfs/dbraw/zinc/36/08/16/984360816.db2.gz ZCYCIBPCAXDBSO-OCCSQVGLSA-N 2 1 248.374 1.371 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC[NH2+]1 ZINC000718223582 984413850 /nfs/dbraw/zinc/41/38/50/984413850.db2.gz CCCTUOKZWCZENX-QTJJRWQNSA-N 2 1 236.359 1.236 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccn3)n[nH]2)C1 ZINC001580430227 984534311 /nfs/dbraw/zinc/53/43/11/984534311.db2.gz HUPOVRLDOOVUBK-MGCOHNPYSA-N 2 1 243.314 1.051 20 0 BDADMP O[C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC001580884583 984617880 /nfs/dbraw/zinc/61/78/80/984617880.db2.gz IBMXVJIUDUDZDT-RFQIPJPRSA-N 2 1 238.375 1.079 20 0 BDADMP CC[N@@H+](C[C@H]1COC(C)(C)O1)C1CC[NH2+]CC1 ZINC001577711036 984652103 /nfs/dbraw/zinc/65/21/03/984652103.db2.gz NNTIQRZWNBADNT-LBPRGKRZSA-N 2 1 242.363 1.212 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc[nH]3)C[C@H]2CC1 ZINC001275854076 984702434 /nfs/dbraw/zinc/70/24/34/984702434.db2.gz YQTQEVQAXJLDCN-BETUJISGSA-N 2 1 233.359 1.788 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]2CC1 ZINC001275854076 984702468 /nfs/dbraw/zinc/70/24/68/984702468.db2.gz YQTQEVQAXJLDCN-BETUJISGSA-N 2 1 233.359 1.788 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]2CC1 ZINC001275854076 984702489 /nfs/dbraw/zinc/70/24/89/984702489.db2.gz YQTQEVQAXJLDCN-BETUJISGSA-N 2 1 233.359 1.788 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC001275885105 984705993 /nfs/dbraw/zinc/70/59/93/984705993.db2.gz WVYOUDKJQGNMLD-UHFFFAOYSA-N 2 1 245.370 1.999 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001577771334 984728284 /nfs/dbraw/zinc/72/82/84/984728284.db2.gz VBBATKGBFJJYJQ-QWRGUYRKSA-N 2 1 247.333 1.058 20 0 BDADMP CC[NH+]1CCC(CN[C@@H]2C[NH2+]CC23CC3)CC1 ZINC001577764367 984739603 /nfs/dbraw/zinc/73/96/03/984739603.db2.gz YVFNBIVWNMWJJW-CYBMUJFWSA-N 2 1 237.391 1.060 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001577770148 984759226 /nfs/dbraw/zinc/75/92/26/984759226.db2.gz APHZKYSDULZAKS-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1CCC[N@@H+](CC)C1 ZINC001577887163 984813004 /nfs/dbraw/zinc/81/30/04/984813004.db2.gz PSQASCXIMGHYJI-VXGBXAGGSA-N 2 1 213.369 1.058 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc[nH]c1 ZINC001276103192 984815167 /nfs/dbraw/zinc/81/51/67/984815167.db2.gz FVPPYFSJIDNVDA-YHWZYXNKSA-N 2 1 219.332 1.730 20 0 BDADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC001577908764 984816905 /nfs/dbraw/zinc/81/69/05/984816905.db2.gz SDULBVBHJYPLTL-WISYIIOYSA-N 2 1 242.363 1.162 20 0 BDADMP CCOC(=O)CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001577945937 984828062 /nfs/dbraw/zinc/82/80/62/984828062.db2.gz QFGUMCLXXDALCF-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP Cc1ncoc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276216440 984831230 /nfs/dbraw/zinc/83/12/30/984831230.db2.gz UYGYEVIARASBGT-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1ncoc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276216440 984831235 /nfs/dbraw/zinc/83/12/35/984831235.db2.gz UYGYEVIARASBGT-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP Cc1ncoc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276216440 984831236 /nfs/dbraw/zinc/83/12/36/984831236.db2.gz UYGYEVIARASBGT-BETUJISGSA-N 2 1 249.358 1.757 20 0 BDADMP CCOC(C[NH2+][C@@H](C[NH3+])C1CCCC1)OCC ZINC001578074957 984838078 /nfs/dbraw/zinc/83/80/78/984838078.db2.gz BZIPGBZJPLCPOR-LBPRGKRZSA-N 2 1 244.379 1.493 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]2)C12CCC2 ZINC001578093313 984844763 /nfs/dbraw/zinc/84/47/63/984844763.db2.gz HDSMTMLGRSTAET-IJLUTSLNSA-N 2 1 224.348 1.286 20 0 BDADMP CCOC1CC([NH2+][C@H]2C[NH2+]CC2(C)C)C1 ZINC001578093211 984845567 /nfs/dbraw/zinc/84/55/67/984845567.db2.gz FUMHHILAKDCADT-ILDUYXDCSA-N 2 1 212.337 1.142 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]2)C12CCC2 ZINC001578093315 984846405 /nfs/dbraw/zinc/84/64/05/984846405.db2.gz HDSMTMLGRSTAET-QJPTWQEYSA-N 2 1 224.348 1.286 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC001578151542 984858917 /nfs/dbraw/zinc/85/89/17/984858917.db2.gz RJOLJBJTNFWYHZ-QZQSVVMZSA-N 2 1 224.348 1.286 20 0 BDADMP CCOc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)[nH+]c1C ZINC001578183478 984866897 /nfs/dbraw/zinc/86/68/97/984866897.db2.gz STIYBXKDMYAAEP-PHIMTYICSA-N 2 1 235.331 1.938 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000685995338 985030524 /nfs/dbraw/zinc/03/05/24/985030524.db2.gz VZSIVTSAMSEEKP-GHMZBOCLSA-N 2 1 248.317 1.030 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000685995338 985030536 /nfs/dbraw/zinc/03/05/36/985030536.db2.gz VZSIVTSAMSEEKP-GHMZBOCLSA-N 2 1 248.317 1.030 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@]12CCOC2)CC1CC[NH2+]CC1 ZINC001578458722 985093339 /nfs/dbraw/zinc/09/33/39/985093339.db2.gz URWGOWBPRUOCCH-UONOGXRCSA-N 2 1 238.375 1.344 20 0 BDADMP C[N@@H+](Cc1cc[nH]c(=O)c1)CC(C)(C)C[NH3+] ZINC001578498268 985119404 /nfs/dbraw/zinc/11/94/04/985119404.db2.gz FVFCSFPBSVCILU-UHFFFAOYSA-N 2 1 223.320 1.204 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)[C@H]2C1 ZINC001578521170 985140728 /nfs/dbraw/zinc/14/07/28/985140728.db2.gz MJGAKUBNPWHAFI-HPCHECBXSA-N 3 1 237.391 1.186 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H](N[C@@H]3CCC[C@H]([NH3+])C3)[C@H]2C1 ZINC001578521170 985140741 /nfs/dbraw/zinc/14/07/41/985140741.db2.gz MJGAKUBNPWHAFI-HPCHECBXSA-N 2 1 237.391 1.186 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3CCC[C@H]([NH3+])C3)[C@H]2C1 ZINC001578521170 985140756 /nfs/dbraw/zinc/14/07/56/985140756.db2.gz MJGAKUBNPWHAFI-HPCHECBXSA-N 2 1 237.391 1.186 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@H]2CCC[NH2+]CC2)CC1 ZINC001578525492 985147114 /nfs/dbraw/zinc/14/71/14/985147114.db2.gz XYYFTPMCIDGUSP-ZDUSSCGKSA-N 3 1 239.407 1.450 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578529047 985160396 /nfs/dbraw/zinc/16/03/96/985160396.db2.gz PGBAEYKBQYTTGT-AHPWVWPOSA-N 3 1 237.391 1.188 20 0 BDADMP COC(CC[NH2+]C(C)(C)C[NH+]1CCCC1)OC ZINC000686616687 985177881 /nfs/dbraw/zinc/17/78/81/985177881.db2.gz BMNQUQPAOQDQSC-UHFFFAOYSA-N 2 1 244.379 1.459 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)CCCCC(F)(F)F ZINC001578652786 985267661 /nfs/dbraw/zinc/26/76/61/985267661.db2.gz ORPUIUKLJSTCTB-VIFPVBQESA-N 2 1 242.285 1.231 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+](C)CCCCC(F)(F)F ZINC001578652785 985265713 /nfs/dbraw/zinc/26/57/13/985265713.db2.gz ORPUIUKLJSTCTB-SECBINFHSA-N 2 1 242.285 1.231 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@]2(C)CCCCO2)C1 ZINC001578657303 985271710 /nfs/dbraw/zinc/27/17/10/985271710.db2.gz UVANSRMGNNFYOJ-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CO[C@H]1CC[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000687252866 985273885 /nfs/dbraw/zinc/27/38/85/985273885.db2.gz ASFAOCSKIYOHFS-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC001578656432 985274215 /nfs/dbraw/zinc/27/42/15/985274215.db2.gz IWBYACLFZIWTDK-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCC(OC)CC2)C1 ZINC001578664188 985279945 /nfs/dbraw/zinc/27/99/45/985279945.db2.gz PTSIFAGCVKHXPW-MOKVOYLWSA-N 2 1 240.391 1.733 20 0 BDADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC001578790512 985364014 /nfs/dbraw/zinc/36/40/14/985364014.db2.gz YDFVBOIREWDCPM-CMPLNLGQSA-N 2 1 240.347 1.012 20 0 BDADMP COC(=O)CC1([NH2+]C[C@H]2CCC[NH2+]2)CCCC1 ZINC001578803663 985364294 /nfs/dbraw/zinc/36/42/94/985364294.db2.gz VYPYZMTWSYXLFJ-LLVKDONJSA-N 2 1 240.347 1.204 20 0 BDADMP COC(=O)C[C@](C)([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 ZINC001578801457 985367488 /nfs/dbraw/zinc/36/74/88/985367488.db2.gz MDWOGEXNDFOXQV-YPMHNXCESA-N 2 1 240.347 1.060 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)C(C)C ZINC000687799141 985388766 /nfs/dbraw/zinc/38/87/66/985388766.db2.gz WFJAFPHOAMOGCK-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)C(C)C ZINC000687799141 985388781 /nfs/dbraw/zinc/38/87/81/985388781.db2.gz WFJAFPHOAMOGCK-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP COC(=O)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C(C)C ZINC001578829756 985399411 /nfs/dbraw/zinc/39/94/11/985399411.db2.gz HDVIWSSHVXQFLF-NEPJUHHUSA-N 2 1 242.363 1.163 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2COC[C@@H]2C)C1 ZINC000688030321 985507408 /nfs/dbraw/zinc/50/74/08/985507408.db2.gz QXDIHBQLQROKGR-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])C12CCC2 ZINC001578936361 985547021 /nfs/dbraw/zinc/54/70/21/985547021.db2.gz RAKDUNYFBWLVLK-UWVGGRQHSA-N 2 1 212.337 1.271 20 0 BDADMP CC(C)[N@H+](CC[NH3+])[C@@H](C)Cc1ccco1 ZINC001258176101 985565931 /nfs/dbraw/zinc/56/59/31/985565931.db2.gz IJUVFCWBHTXNCT-NSHDSACASA-N 2 1 210.321 1.880 20 0 BDADMP CC(C)[N@@H+](CC[NH3+])[C@@H](C)Cc1ccco1 ZINC001258176101 985565959 /nfs/dbraw/zinc/56/59/59/985565959.db2.gz IJUVFCWBHTXNCT-NSHDSACASA-N 2 1 210.321 1.880 20 0 BDADMP COC[C@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578987103 985610152 /nfs/dbraw/zinc/61/01/52/985610152.db2.gz VAPKPSRFLNVXPC-QJPTWQEYSA-N 2 1 212.337 1.225 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+]C(C)(C)CC(F)(F)F ZINC001579000681 985646446 /nfs/dbraw/zinc/64/64/46/985646446.db2.gz APOCZRLUAJTABH-QMMMGPOBSA-N 2 1 242.285 1.671 20 0 BDADMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258281988 985790624 /nfs/dbraw/zinc/79/06/24/985790624.db2.gz DKKNNJUYEDJQEY-CYBMUJFWSA-N 2 1 242.407 1.859 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579146868 985812491 /nfs/dbraw/zinc/81/24/91/985812491.db2.gz USPCJSJNOFHRLM-WDNDVIMCSA-N 2 1 247.342 1.048 20 0 BDADMP COc1cc(C)[nH+]c(CN(C2CC2)C2C[NH2+]C2)c1 ZINC001579146837 985813212 /nfs/dbraw/zinc/81/32/12/985813212.db2.gz UIUSJMPJUWQNSJ-UHFFFAOYSA-N 2 1 247.342 1.335 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001258345468 985821641 /nfs/dbraw/zinc/82/16/41/985821641.db2.gz KABRYCYUTUIFEW-JTQLQIEISA-N 2 1 228.336 1.012 20 0 BDADMP CS[C@@H]1CC[C@H]1[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001579366922 985859060 /nfs/dbraw/zinc/85/90/60/985859060.db2.gz GOCWBDGHMZUXFU-UTINFBMNSA-N 2 1 200.351 1.220 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC001579366686 985859360 /nfs/dbraw/zinc/85/93/60/985859360.db2.gz AJDIKKQTPMJJHT-UTINFBMNSA-N 2 1 200.351 1.078 20 0 BDADMP Cc1cncc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206606249 985899769 /nfs/dbraw/zinc/89/97/69/985899769.db2.gz IDNLPUMQWOQPRW-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP Cc1cncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206606249 985899777 /nfs/dbraw/zinc/89/97/77/985899777.db2.gz IDNLPUMQWOQPRW-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP C[C@@H]1CC[C@H](CO)[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001579429241 985916594 /nfs/dbraw/zinc/91/65/94/985916594.db2.gz MNJFHOKHSPDGLK-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccncc1F ZINC001579460774 985958386 /nfs/dbraw/zinc/95/83/86/985958386.db2.gz LWVVFRWRCVLZJW-KOLCDFICSA-N 2 1 223.295 1.166 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001579505381 986051515 /nfs/dbraw/zinc/05/15/15/986051515.db2.gz YUQBVISYGRLWNT-SJHCENCUSA-N 2 1 236.359 1.284 20 0 BDADMP Cc1cc(C)c2c(c1)CC[N@H+](C[C@@H](O)CC[NH3+])C2 ZINC001579577046 986094479 /nfs/dbraw/zinc/09/44/79/986094479.db2.gz WPAJCORVNSMKNB-AWEZNQCLSA-N 2 1 248.370 1.371 20 0 BDADMP Cc1cc(C)cc(CC[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC001579579628 986095000 /nfs/dbraw/zinc/09/50/00/986095000.db2.gz KFFDZQPXAUMPMC-AWEZNQCLSA-N 2 1 236.359 1.097 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001258771730 986153600 /nfs/dbraw/zinc/15/36/00/986153600.db2.gz RCIHLGYYSPCALI-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CCC[NH+]1CCC([N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001258771899 986154958 /nfs/dbraw/zinc/15/49/58/986154958.db2.gz AAIGUDFJMSZFSF-BETUJISGSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC001461832163 986190898 /nfs/dbraw/zinc/19/08/98/986190898.db2.gz UBEXWJHICKHHPT-IHRRRGAJSA-N 2 1 231.343 1.511 20 0 BDADMP Cc1cccc2c1C[C@H]([NH2+]CC(C)(C)[NH3+])CO2 ZINC001579775989 986216376 /nfs/dbraw/zinc/21/63/76/986216376.db2.gz IXLYMUTVAPIAKK-NSHDSACASA-N 2 1 234.343 1.625 20 0 BDADMP Cc1cccc2c1C[C@@H]([NH2+]CC(C)(C)[NH3+])CO2 ZINC001579775988 986220928 /nfs/dbraw/zinc/22/09/28/986220928.db2.gz IXLYMUTVAPIAKK-LLVKDONJSA-N 2 1 234.343 1.625 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001579839674 986269003 /nfs/dbraw/zinc/26/90/03/986269003.db2.gz PEGXANYIAGEFII-KOLCDFICSA-N 2 1 222.336 1.005 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001579839674 986269022 /nfs/dbraw/zinc/26/90/22/986269022.db2.gz PEGXANYIAGEFII-KOLCDFICSA-N 2 1 222.336 1.005 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@]2(C)CCCCO2)C1 ZINC001462084301 986281668 /nfs/dbraw/zinc/28/16/68/986281668.db2.gz ZYIIXTPUGCUMDK-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP Cn1cc(C[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)cn1 ZINC001579961278 986365333 /nfs/dbraw/zinc/36/53/33/986365333.db2.gz HBQXGXVDDRDGDH-KGLIPLIRSA-N 2 1 248.374 1.371 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC001579970453 986372118 /nfs/dbraw/zinc/37/21/18/986372118.db2.gz XJRBWEBCFZVCIW-SGMGOOAPSA-N 2 1 248.374 1.194 20 0 BDADMP Fc1cccc(CC[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001580033635 986433248 /nfs/dbraw/zinc/43/32/48/986433248.db2.gz VFFUMURBVLPCFD-KGLIPLIRSA-N 2 1 248.345 1.910 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001462662582 986488155 /nfs/dbraw/zinc/48/81/55/986488155.db2.gz CXPNCRDIXHMUSA-FPYNETTCSA-N 2 1 226.364 1.340 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCSC1 ZINC000642860585 986573804 /nfs/dbraw/zinc/57/38/04/986573804.db2.gz KKYCTSLYUYEKLL-KXUCPTDWSA-N 2 1 200.351 1.161 20 0 BDADMP COC[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254517549 986658214 /nfs/dbraw/zinc/65/82/14/986658214.db2.gz VFQREGCBRDOVPO-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254517549 986658225 /nfs/dbraw/zinc/65/82/25/986658225.db2.gz VFQREGCBRDOVPO-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254517549 986658237 /nfs/dbraw/zinc/65/82/37/986658237.db2.gz VFQREGCBRDOVPO-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@@H]1F ZINC001254515785 986663676 /nfs/dbraw/zinc/66/36/76/986663676.db2.gz CUVKYFYTKBAVIS-WOPDTQHZSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)C[C@@H]1F ZINC001254515785 986663659 /nfs/dbraw/zinc/66/36/59/986663659.db2.gz CUVKYFYTKBAVIS-WOPDTQHZSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)C[C@@H]1F ZINC001254515785 986663667 /nfs/dbraw/zinc/66/36/67/986663667.db2.gz CUVKYFYTKBAVIS-WOPDTQHZSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@@H]1F ZINC001254515785 986663686 /nfs/dbraw/zinc/66/36/86/986663686.db2.gz CUVKYFYTKBAVIS-WOPDTQHZSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1CN([C@H]2CCC[NH+](C)CC2)C[C@H](C)[N@@H+]1C ZINC001254525719 986665284 /nfs/dbraw/zinc/66/52/84/986665284.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN([C@H]2CCC[N@H+](C)CC2)C[C@H](C)[NH+]1C ZINC001254525719 986665299 /nfs/dbraw/zinc/66/52/99/986665299.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CN([C@H]2CCC[N@@H+](C)CC2)C[C@H](C)[NH+]1C ZINC001254525719 986665306 /nfs/dbraw/zinc/66/53/06/986665306.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)C[C@H](C)N1C ZINC001254525719 986665317 /nfs/dbraw/zinc/66/53/17/986665317.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)C[C@H](C)N1C ZINC001254525719 986665328 /nfs/dbraw/zinc/66/53/28/986665328.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@H](C)N1C ZINC001254525719 986665340 /nfs/dbraw/zinc/66/53/40/986665340.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@H](C)N1C ZINC001254525719 986665351 /nfs/dbraw/zinc/66/53/51/986665351.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+](C)[C@H]1CCCN([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254523629 986671443 /nfs/dbraw/zinc/67/14/43/986671443.db2.gz QJURLFBWLOQYLB-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP Cc1cccc(CC[NH2+]C[C@@H]2CCC[NH2+]2)n1 ZINC000689491762 986677071 /nfs/dbraw/zinc/67/70/71/986677071.db2.gz JZSZDCOBMUKQNG-ZDUSSCGKSA-N 2 1 219.332 1.274 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCC[C@@H]1CCO1 ZINC001580254679 986709413 /nfs/dbraw/zinc/70/94/13/986709413.db2.gz YWPOONUTLGVJSO-YNEHKIRRSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCC[C@@H]1CCO1 ZINC001580254679 986709422 /nfs/dbraw/zinc/70/94/22/986709422.db2.gz YWPOONUTLGVJSO-YNEHKIRRSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCCC[C@@H]1O ZINC001580254734 986710986 /nfs/dbraw/zinc/71/09/86/986710986.db2.gz ZMTZYFJEMAUMIZ-RFQIPJPRSA-N 2 1 238.375 1.351 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCCC[C@@H]1O ZINC001580254734 986710993 /nfs/dbraw/zinc/71/09/93/986710993.db2.gz ZMTZYFJEMAUMIZ-RFQIPJPRSA-N 2 1 238.375 1.351 20 0 BDADMP [NH3+]C[C@]12C[N@H+](Cc3cc[nH]n3)C[C@@H]1CCCC2 ZINC001580256863 986711890 /nfs/dbraw/zinc/71/18/90/986711890.db2.gz YNXUMRXOQKKZPE-WCQYABFASA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@]12C[N@@H+](Cc3cc[nH]n3)C[C@@H]1CCCC2 ZINC001580256863 986711903 /nfs/dbraw/zinc/71/19/03/986711903.db2.gz YNXUMRXOQKKZPE-WCQYABFASA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001580310362 986742686 /nfs/dbraw/zinc/74/26/86/986742686.db2.gz OIVAZBUTWFTPJR-UHFFFAOYSA-N 2 1 248.370 1.752 20 0 BDADMP [NH3+]CC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001580310362 986742696 /nfs/dbraw/zinc/74/26/96/986742696.db2.gz OIVAZBUTWFTPJR-UHFFFAOYSA-N 2 1 248.370 1.752 20 0 BDADMP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)[nH]1 ZINC001137330813 986792193 /nfs/dbraw/zinc/79/21/93/986792193.db2.gz CIGZSTHWUOQXNW-BETUJISGSA-N 2 1 233.359 1.625 20 0 BDADMP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)[nH]1 ZINC001137330813 986792204 /nfs/dbraw/zinc/79/22/04/986792204.db2.gz CIGZSTHWUOQXNW-BETUJISGSA-N 2 1 233.359 1.625 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)[nH]1 ZINC001137330813 986792216 /nfs/dbraw/zinc/79/22/16/986792216.db2.gz CIGZSTHWUOQXNW-BETUJISGSA-N 2 1 233.359 1.625 20 0 BDADMP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)[nH]1 ZINC001137330813 986792227 /nfs/dbraw/zinc/79/22/27/986792227.db2.gz CIGZSTHWUOQXNW-BETUJISGSA-N 2 1 233.359 1.625 20 0 BDADMP C[N@H+]1CC[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001255439337 986963483 /nfs/dbraw/zinc/96/34/83/986963483.db2.gz SQJOOEPSFAMHFI-NEPJUHHUSA-N 2 1 234.347 1.227 20 0 BDADMP C[C@@H]1[C@H]2CCN1C[C@@H]([NH2+][C@H]1CCCN(C)C1)C2 ZINC001255472710 986975849 /nfs/dbraw/zinc/97/58/49/986975849.db2.gz DSXBRZOSMCNKJK-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C1CC1[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001256075820 987127786 /nfs/dbraw/zinc/12/77/86/987127786.db2.gz RTQLFXVVVDCGGA-TXEJJXNPSA-N 2 1 236.359 1.191 20 0 BDADMP C1CC1[NH+]1CCC([N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001256075820 987127790 /nfs/dbraw/zinc/12/77/90/987127790.db2.gz RTQLFXVVVDCGGA-TXEJJXNPSA-N 2 1 236.359 1.191 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+]1 ZINC001245984975 987265358 /nfs/dbraw/zinc/26/53/58/987265358.db2.gz ZKDPYXAVTDUUHQ-NEPJUHHUSA-N 2 1 214.353 1.269 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC001245999944 987284731 /nfs/dbraw/zinc/28/47/31/987284731.db2.gz KJEZLLSWLHZILS-DGCLKSJQSA-N 2 1 238.331 1.056 20 0 BDADMP COC1(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)CCCC1 ZINC000692497771 987289503 /nfs/dbraw/zinc/28/95/03/987289503.db2.gz IQBPQDMRLMUVDJ-NSHDSACASA-N 2 1 226.364 1.615 20 0 BDADMP COC1(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)CCCC1 ZINC000692497771 987289512 /nfs/dbraw/zinc/28/95/12/987289512.db2.gz IQBPQDMRLMUVDJ-NSHDSACASA-N 2 1 226.364 1.615 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246018596 987302286 /nfs/dbraw/zinc/30/22/86/987302286.db2.gz FUCWJVOKJGKKJT-GRYCIOLGSA-N 2 1 214.353 1.349 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246018596 987302295 /nfs/dbraw/zinc/30/22/95/987302295.db2.gz FUCWJVOKJGKKJT-GRYCIOLGSA-N 2 1 214.353 1.349 20 0 BDADMP CCn1cc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000693691118 987312821 /nfs/dbraw/zinc/31/28/21/987312821.db2.gz BPXZFTPZCADONM-YPMHNXCESA-N 2 1 236.363 1.462 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246023984 987318117 /nfs/dbraw/zinc/31/81/17/987318117.db2.gz TWGWLVHZEJEDIN-QWHCGFSZSA-N 2 1 228.380 1.454 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034090 987335874 /nfs/dbraw/zinc/33/58/74/987335874.db2.gz WQIRUVIQEIAJFR-KBPBESRZSA-N 2 1 240.391 1.756 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034090 987335878 /nfs/dbraw/zinc/33/58/78/987335878.db2.gz WQIRUVIQEIAJFR-KBPBESRZSA-N 2 1 240.391 1.756 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246060954 987349700 /nfs/dbraw/zinc/34/97/00/987349700.db2.gz RZBFMBGLYYDTEQ-MELADBBJSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C[C@@H](C)O1 ZINC001246074579 987364551 /nfs/dbraw/zinc/36/45/51/987364551.db2.gz AOKRBQQPUIOIAL-QCNOEVLYSA-N 2 1 226.364 1.673 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH2+]CC1)C2 ZINC001246077585 987368631 /nfs/dbraw/zinc/36/86/31/987368631.db2.gz JGAUGWKAAWEJHW-BTTYYORXSA-N 2 1 237.391 1.343 20 0 BDADMP CSCC[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246078398 987369853 /nfs/dbraw/zinc/36/98/53/987369853.db2.gz DFVDIWTTYUYORU-AXFHLTTASA-N 2 1 216.394 1.858 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246084346 987381067 /nfs/dbraw/zinc/38/10/67/987381067.db2.gz YOHRQOWEGCPIGN-WCQYABFASA-N 2 1 219.332 1.620 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)C[NH2+]1 ZINC001246090267 987393872 /nfs/dbraw/zinc/39/38/72/987393872.db2.gz WDTWUWLQHNDFFJ-RVMXOQNASA-N 2 1 226.364 1.410 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095379 987405524 /nfs/dbraw/zinc/40/55/24/987405524.db2.gz BLPFLHFPLATWEM-CSHRUCKSSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C[NH2+]1 ZINC001246094496 987405708 /nfs/dbraw/zinc/40/57/08/987405708.db2.gz MWKZYBDWOCSHBD-IRCOFANPSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001246097180 987407961 /nfs/dbraw/zinc/40/79/61/987407961.db2.gz GNWZFCUGTDUJNY-MELADBBJSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC001246097180 987407968 /nfs/dbraw/zinc/40/79/68/987407968.db2.gz GNWZFCUGTDUJNY-MELADBBJSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001246097180 987407973 /nfs/dbraw/zinc/40/79/73/987407973.db2.gz GNWZFCUGTDUJNY-MELADBBJSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246096294 987408184 /nfs/dbraw/zinc/40/81/84/987408184.db2.gz UAWRAZARPZEOHE-FVCCEPFGSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC001246101796 987422330 /nfs/dbraw/zinc/42/23/30/987422330.db2.gz MGJYHFUWOFHUAY-GRYCIOLGSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCN(C)CC1 ZINC001246106117 987433163 /nfs/dbraw/zinc/43/31/63/987433163.db2.gz CTOAIVRYTHBFHB-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC001246106780 987436281 /nfs/dbraw/zinc/43/62/81/987436281.db2.gz FTFLTENTOGJJOR-CHWSQXEVSA-N 3 1 239.407 1.448 20 0 BDADMP FC1(F)CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246107427 987439050 /nfs/dbraw/zinc/43/90/50/987439050.db2.gz BEVQAOACVMBPHX-NXEZZACHSA-N 2 1 218.291 1.763 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001246109377 987441155 /nfs/dbraw/zinc/44/11/55/987441155.db2.gz BSDHOCLLAGZYTD-JVGWCMFKSA-N 2 1 222.332 1.060 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246112079 987446481 /nfs/dbraw/zinc/44/64/81/987446481.db2.gz KNVDLWCELVQCFN-NEPJUHHUSA-N 3 1 227.396 1.352 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246120964 987467310 /nfs/dbraw/zinc/46/73/10/987467310.db2.gz SNVDXPNFGCHHNR-JSGCOSHPSA-N 2 1 248.370 1.968 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC001246121846 987467837 /nfs/dbraw/zinc/46/78/37/987467837.db2.gz UKEJWJYXVMZHGQ-OLZOCXBDSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@H]1C ZINC001246132016 987481033 /nfs/dbraw/zinc/48/10/33/987481033.db2.gz CGOPSMMAUQDLIE-BUCHIQEDSA-N 2 1 238.375 1.388 20 0 BDADMP C1C[C@H]2CC([NH2+][C@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]1[NH2+]2 ZINC001246130428 987482387 /nfs/dbraw/zinc/48/23/87/987482387.db2.gz HDHFZOHCPZWTMV-VKFDKNKNSA-N 3 1 249.402 1.247 20 0 BDADMP c1ccc2c(c1)CC([NH2+][C@@H]1C[NH2+]CC13CC3)C2 ZINC001246133403 987486419 /nfs/dbraw/zinc/48/64/19/987486419.db2.gz NUCVYZFFKFZHNW-CQSZACIVSA-N 2 1 228.339 1.495 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)C[C@H](C)O1 ZINC001246136930 987495391 /nfs/dbraw/zinc/49/53/91/987495391.db2.gz YRPYXBKXWFSDPS-USZNOCQGSA-N 2 1 224.348 1.284 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246161340 987520968 /nfs/dbraw/zinc/52/09/68/987520968.db2.gz JRBORJVROXJCBX-KBPBESRZSA-N 2 1 241.423 1.839 20 0 BDADMP [NH3+]C12CCC([NH2+][C@H]3CCC[NH2+]C3)(CC1)CC2 ZINC001246163613 987527742 /nfs/dbraw/zinc/52/77/42/987527742.db2.gz NQKJFFQWSVRYRI-HIFPTAJRSA-N 3 1 223.364 1.132 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CN1 ZINC001246177203 987550117 /nfs/dbraw/zinc/55/01/17/987550117.db2.gz RTKCWCWDZAKHLI-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC001246177203 987550124 /nfs/dbraw/zinc/55/01/24/987550124.db2.gz RTKCWCWDZAKHLI-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246177203 987550137 /nfs/dbraw/zinc/55/01/37/987550137.db2.gz RTKCWCWDZAKHLI-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC001246184460 987557819 /nfs/dbraw/zinc/55/78/19/987557819.db2.gz LSBJOBJPPKAVQR-XHJNMGKDSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC001246184458 987558054 /nfs/dbraw/zinc/55/80/54/987558054.db2.gz LSBJOBJPPKAVQR-XGFWRYKXSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]1 ZINC001246185124 987560003 /nfs/dbraw/zinc/56/00/03/987560003.db2.gz RUJBKDBDXUGXMK-VJTDZRGJSA-N 2 1 237.391 1.342 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@H]1CCC[NH2+]C1 ZINC001246183616 987561378 /nfs/dbraw/zinc/56/13/78/987561378.db2.gz GMUFRFCBUXGFDZ-ZDUSSCGKSA-N 2 1 227.396 1.450 20 0 BDADMP CC[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)OC ZINC001473844083 987577692 /nfs/dbraw/zinc/57/76/92/987577692.db2.gz TZTNIYBNPTYWQI-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)OC ZINC001473844083 987577719 /nfs/dbraw/zinc/57/77/19/987577719.db2.gz TZTNIYBNPTYWQI-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)OC ZINC001473844083 987577729 /nfs/dbraw/zinc/57/77/29/987577729.db2.gz TZTNIYBNPTYWQI-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246200944 987595138 /nfs/dbraw/zinc/59/51/38/987595138.db2.gz STHIZSVNDFQJSM-MCIONIFRSA-N 3 1 239.407 1.352 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246200945 987596571 /nfs/dbraw/zinc/59/65/71/987596571.db2.gz STHIZSVNDFQJSM-MJBXVCDLSA-N 3 1 239.407 1.352 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246204330 987600783 /nfs/dbraw/zinc/60/07/83/987600783.db2.gz FHIUCTUIMDAWNZ-XGFWRYKXSA-N 3 1 237.391 1.519 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246213102 987609603 /nfs/dbraw/zinc/60/96/03/987609603.db2.gz YNEXSQLLVGUJCN-LPWJVIDDSA-N 3 1 225.380 1.234 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001246216424 987614427 /nfs/dbraw/zinc/61/44/27/987614427.db2.gz JDNRTJROLKEMOC-AVGNSLFASA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cncnc1 ZINC001246228506 987626347 /nfs/dbraw/zinc/62/63/47/987626347.db2.gz ILWGIRLOCAQODY-CKYFFXLPSA-N 2 1 220.320 1.268 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](O)CC2)C[NH2+]1 ZINC001246230640 987630351 /nfs/dbraw/zinc/63/03/51/987630351.db2.gz NXDZCYAVUYTQQW-WYUUTHIRSA-N 2 1 212.337 1.020 20 0 BDADMP CC[C@@H]1CC([NH2+][C@@H]2CC[C@H]([NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246233799 987631739 /nfs/dbraw/zinc/63/17/39/987631739.db2.gz AWTSERPHDZGDCV-UMSGYPCISA-N 3 1 239.407 1.765 20 0 BDADMP CC[C@H]1CC([NH2+][C@@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246233800 987632189 /nfs/dbraw/zinc/63/21/89/987632189.db2.gz AWTSERPHDZGDCV-ZDEQEGDKSA-N 3 1 239.407 1.765 20 0 BDADMP c1ccc(CCCC[NH2+][C@@H]2CCC[NH2+]C2)nc1 ZINC001246237137 987635154 /nfs/dbraw/zinc/63/51/54/987635154.db2.gz GXGPOPRXKVCYHV-CQSZACIVSA-N 2 1 233.359 1.746 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246236084 987636368 /nfs/dbraw/zinc/63/63/68/987636368.db2.gz IMCYTYQNENJOIG-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246239827 987639348 /nfs/dbraw/zinc/63/93/48/987639348.db2.gz UGHBXGAERSXSMP-CYDGBPFRSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC001246241979 987643008 /nfs/dbraw/zinc/64/30/08/987643008.db2.gz DHRPWRDOVPYMNW-XJFOESAGSA-N 3 1 239.407 1.637 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C[NH2+]1 ZINC001246248938 987647992 /nfs/dbraw/zinc/64/79/92/987647992.db2.gz MWKZYBDWOCSHBD-FIQHERPVSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC001246251991 987651253 /nfs/dbraw/zinc/65/12/53/987651253.db2.gz PWIYDUBDPYDVJC-NQBHXWOUSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[Si](C)(C)C)C[NH2+]1 ZINC001246270942 987666747 /nfs/dbraw/zinc/66/67/47/987666747.db2.gz XBLMFHQQIBAREY-UWVGGRQHSA-N 2 1 200.402 1.594 20 0 BDADMP OC[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001246276242 987670107 /nfs/dbraw/zinc/67/01/07/987670107.db2.gz BNNPNVPNQJILFU-LSDHHAIUSA-N 2 1 248.370 1.179 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCCC3)[C@H]2C1 ZINC001474301169 987680991 /nfs/dbraw/zinc/68/09/91/987680991.db2.gz GKZRGZZBTOPVPV-WCFLWFBJSA-N 2 1 208.349 1.859 20 0 BDADMP c1cc2cccc(C[NH2+]C3CC[NH2+]CC3)n2n1 ZINC001246289452 987684324 /nfs/dbraw/zinc/68/43/24/987684324.db2.gz DUYDHYBSTXNWPC-UHFFFAOYSA-N 2 1 230.315 1.176 20 0 BDADMP CCC1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246296895 987689614 /nfs/dbraw/zinc/68/96/14/987689614.db2.gz CULAGMAPPQGBRA-KPFVRQRISA-N 2 1 226.364 1.125 20 0 BDADMP CC1(C)CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246301242 987696303 /nfs/dbraw/zinc/69/63/03/987696303.db2.gz WZXLYIYXBMKHJB-CMPLNLGQSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246300374 987696925 /nfs/dbraw/zinc/69/69/25/987696925.db2.gz NGACYALOXLAGGP-STQMWFEESA-N 3 1 239.407 1.768 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246303351 987701232 /nfs/dbraw/zinc/70/12/32/987701232.db2.gz HNPSPSMMJSMMAP-YNEHKIRRSA-N 3 1 227.396 1.624 20 0 BDADMP CC(C)C1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246303164 987701999 /nfs/dbraw/zinc/70/19/99/987701999.db2.gz DWOFYKVRGCSNOL-FKZOYECMSA-N 2 1 240.391 1.371 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCCCCC[NH3+])C[NH2+]1 ZINC001246303776 987702164 /nfs/dbraw/zinc/70/21/64/987702164.db2.gz AOQGWRNFWLYSFI-CHWSQXEVSA-N 3 1 227.396 1.626 20 0 BDADMP C[C@H]([NH3+])CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246304765 987703908 /nfs/dbraw/zinc/70/39/08/987703908.db2.gz MJLZXFDUIHZCDJ-NSHDSACASA-N 3 1 241.423 1.965 20 0 BDADMP C[C@H]([NH3+])CCN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246307326 987708367 /nfs/dbraw/zinc/70/83/67/987708367.db2.gz WPVIQCAJRFHVSQ-QWHCGFSZSA-N 2 1 239.407 1.720 20 0 BDADMP CCOC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246316870 987721944 /nfs/dbraw/zinc/72/19/44/987721944.db2.gz OKHZQKGUODUFFZ-GHMZBOCLSA-N 2 1 242.363 1.306 20 0 BDADMP CC[C@@H](C[NH3+])[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246320627 987729260 /nfs/dbraw/zinc/72/92/60/987729260.db2.gz ZOINDYJWSNRPRV-LBPRGKRZSA-N 3 1 239.407 1.626 20 0 BDADMP C[C@@](CO)([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246327703 987734912 /nfs/dbraw/zinc/73/49/12/987734912.db2.gz UGRWPVDEZUYRAJ-AWEZNQCLSA-N 2 1 234.343 1.236 20 0 BDADMP CC[C@@H]1CC([NH2+]C[C@H](C)C[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246328770 987735414 /nfs/dbraw/zinc/73/54/14/987735414.db2.gz SGZUTAOYKUWEDD-IJLUTSLNSA-N 3 1 227.396 1.480 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246328769 987735642 /nfs/dbraw/zinc/73/56/42/987735642.db2.gz SGZUTAOYKUWEDD-FVCCEPFGSA-N 3 1 227.396 1.480 20 0 BDADMP COC1CC(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC001474504211 987742572 /nfs/dbraw/zinc/74/25/72/987742572.db2.gz DFDYTPOVMPCGTH-ABXWRUBCSA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC001474504211 987742577 /nfs/dbraw/zinc/74/25/77/987742577.db2.gz DFDYTPOVMPCGTH-ABXWRUBCSA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC001474504211 987742583 /nfs/dbraw/zinc/74/25/83/987742583.db2.gz DFDYTPOVMPCGTH-ABXWRUBCSA-N 2 1 240.391 1.683 20 0 BDADMP COC1CC(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC001474504211 987742586 /nfs/dbraw/zinc/74/25/86/987742586.db2.gz DFDYTPOVMPCGTH-ABXWRUBCSA-N 2 1 240.391 1.683 20 0 BDADMP FC1(F)CC2(CC([NH2+][C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246336198 987745918 /nfs/dbraw/zinc/74/59/18/987745918.db2.gz TZNCYPHOEJCWTF-SECBINFHSA-N 2 1 230.302 1.906 20 0 BDADMP COC(CCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)OC ZINC001246338731 987747875 /nfs/dbraw/zinc/74/78/75/987747875.db2.gz CKSJVYSPFKNFOY-GHMZBOCLSA-N 2 1 230.352 1.116 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CCC[NH+](C)C1 ZINC001474556492 987760119 /nfs/dbraw/zinc/76/01/19/987760119.db2.gz BIEPSNLTEMWSIB-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CCC[NH+](C)C1 ZINC001474556492 987760126 /nfs/dbraw/zinc/76/01/26/987760126.db2.gz BIEPSNLTEMWSIB-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CCC[N@H+](C)C1 ZINC001474556492 987760130 /nfs/dbraw/zinc/76/01/30/987760130.db2.gz BIEPSNLTEMWSIB-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CCC[N@@H+](C)C1 ZINC001474556492 987760137 /nfs/dbraw/zinc/76/01/37/987760137.db2.gz BIEPSNLTEMWSIB-KGLIPLIRSA-N 2 1 241.423 1.791 20 0 BDADMP C1OCC12CCC([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246357177 987764714 /nfs/dbraw/zinc/76/47/14/987764714.db2.gz JJGFGRGYFBILOY-GFCCVEGCSA-N 2 1 224.348 1.287 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246362153 987766572 /nfs/dbraw/zinc/76/65/72/987766572.db2.gz NLZFYKMUXHLQQK-RDBSUJKOSA-N 2 1 239.407 1.447 20 0 BDADMP [NH3+]CCc1cn(C2CC[NH2+]CC2)c2ccncc12 ZINC001246358304 987769446 /nfs/dbraw/zinc/76/94/46/987769446.db2.gz CVAVEDJQJNEPSZ-UHFFFAOYSA-N 2 1 244.342 1.462 20 0 BDADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246365195 987771699 /nfs/dbraw/zinc/77/16/99/987771699.db2.gz DKMGUXNYRYURIF-JHJVBQTASA-N 3 1 225.380 1.201 20 0 BDADMP C[NH+]1CCC(CCC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246367103 987772396 /nfs/dbraw/zinc/77/23/96/987772396.db2.gz YQOCHYATDMCBBA-AWEZNQCLSA-N 3 1 239.407 1.450 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)C[NH2+]1 ZINC001246380873 987775316 /nfs/dbraw/zinc/77/53/16/987775316.db2.gz YWUSHIITBRADNE-DGCLKSJQSA-N 3 1 237.391 1.249 20 0 BDADMP C(N[C@H]1CC[NH2+]C1)C1(CC2CC2)CC[NH2+]CC1 ZINC001246383097 987781006 /nfs/dbraw/zinc/78/10/06/987781006.db2.gz CWYLBVXSAOCOIO-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP c1[nH+]c(CN[C@H]2CCC[NH2+]C2)c2ccccn12 ZINC001246393963 987782927 /nfs/dbraw/zinc/78/29/27/987782927.db2.gz IIKHVRLPNAHBDV-NSHDSACASA-N 2 1 230.315 1.176 20 0 BDADMP CC(C)(Cc1ccncc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246407241 987786226 /nfs/dbraw/zinc/78/62/26/987786226.db2.gz PQTBUEZHZICJBO-CYBMUJFWSA-N 2 1 233.359 1.744 20 0 BDADMP CCC1([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]CC1 ZINC001246423133 987795365 /nfs/dbraw/zinc/79/53/65/987795365.db2.gz IIWAUISTZFFWLH-RYUDHWBXSA-N 3 1 225.380 1.249 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246447747 987807318 /nfs/dbraw/zinc/80/73/18/987807318.db2.gz WJOIWDRSXWFLSE-MWLCHTKSSA-N 2 1 206.289 1.162 20 0 BDADMP CC1CCC([NH2+]CCC[NH2+]CCC[NH3+])CC1 ZINC001246452644 987808958 /nfs/dbraw/zinc/80/89/58/987808958.db2.gz LAJASMSZNYFTIH-UHFFFAOYSA-N 3 1 227.396 1.483 20 0 BDADMP CCC1CCC([NH2+]CCC[NH2+]CCC[NH3+])CC1 ZINC001246451409 987809900 /nfs/dbraw/zinc/80/99/00/987809900.db2.gz GHNWLPDPWGPYCZ-UHFFFAOYSA-N 3 1 241.423 1.873 20 0 BDADMP CC1(C)CCC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246455057 987812091 /nfs/dbraw/zinc/81/20/91/987812091.db2.gz WFOWTIRJMOTGRR-ZDUSSCGKSA-N 3 1 241.423 1.873 20 0 BDADMP CC(C)NCC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246455553 987813488 /nfs/dbraw/zinc/81/34/88/987813488.db2.gz XOWHAMHGNHADCE-ZIAGYGMSSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2)CC(C)(C)C1 ZINC001246489585 987844384 /nfs/dbraw/zinc/84/43/84/987844384.db2.gz NUVAMIKNPXZMFC-JHJVBQTASA-N 2 1 239.407 1.352 20 0 BDADMP CSC(C)(C)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246487531 987844929 /nfs/dbraw/zinc/84/49/29/987844929.db2.gz GQMMBMWZFJVORB-QWRGUYRKSA-N 2 1 245.436 1.058 20 0 BDADMP Cc1ccc([C@@H](CO)[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246498883 987852683 /nfs/dbraw/zinc/85/26/83/987852683.db2.gz JUHCPXPIELCDRI-CQSZACIVSA-N 2 1 234.343 1.370 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+]1CCC[NH2+]CC1 ZINC001246526513 987878348 /nfs/dbraw/zinc/87/83/48/987878348.db2.gz YOLAEENMJZASLH-GFCCVEGCSA-N 2 1 219.332 1.308 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+]1CCC[NH2+]CC1 ZINC001246526513 987878352 /nfs/dbraw/zinc/87/83/52/987878352.db2.gz YOLAEENMJZASLH-GFCCVEGCSA-N 2 1 219.332 1.308 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@@H+]1CCC[NH2+]CC1 ZINC001246525989 987879804 /nfs/dbraw/zinc/87/98/04/987879804.db2.gz VBACOSQXHWKEQN-LBPRGKRZSA-N 2 1 219.332 1.308 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@H+]1CCC[NH2+]CC1 ZINC001246525989 987879808 /nfs/dbraw/zinc/87/98/08/987879808.db2.gz VBACOSQXHWKEQN-LBPRGKRZSA-N 2 1 219.332 1.308 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CCCNCC1)C2 ZINC001246525893 987880166 /nfs/dbraw/zinc/88/01/66/987880166.db2.gz SYYQZIDFKVMNAX-ZIAGYGMSSA-N 2 1 237.391 1.204 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@@H](N1CCC[NH2+]CC1)C2 ZINC001246525893 987880169 /nfs/dbraw/zinc/88/01/69/987880169.db2.gz SYYQZIDFKVMNAX-ZIAGYGMSSA-N 2 1 237.391 1.204 20 0 BDADMP N[C@@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533396 987889875 /nfs/dbraw/zinc/88/98/75/987889875.db2.gz NIIVNYFAFLRHSK-CHWSQXEVSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533396 987889879 /nfs/dbraw/zinc/88/98/79/987889879.db2.gz NIIVNYFAFLRHSK-CHWSQXEVSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001246533396 987889885 /nfs/dbraw/zinc/88/98/85/987889885.db2.gz NIIVNYFAFLRHSK-CHWSQXEVSA-N 3 1 249.402 1.332 20 0 BDADMP CSCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542994 987911675 /nfs/dbraw/zinc/91/16/75/987911675.db2.gz QWVGDQBZCUZRCU-HBNTYKKESA-N 2 1 216.394 1.655 20 0 BDADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246544397 987918810 /nfs/dbraw/zinc/91/88/10/987918810.db2.gz VMEICCYCCBWAAZ-MJBXVCDLSA-N 2 1 242.407 1.985 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246544397 987918818 /nfs/dbraw/zinc/91/88/18/987918818.db2.gz VMEICCYCCBWAAZ-MJBXVCDLSA-N 2 1 242.407 1.985 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546838 987925985 /nfs/dbraw/zinc/92/59/85/987925985.db2.gz ATXGFRVJFFJRQU-UONOGXRCSA-N 2 1 239.407 1.674 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546838 987925994 /nfs/dbraw/zinc/92/59/94/987925994.db2.gz ATXGFRVJFFJRQU-UONOGXRCSA-N 3 1 239.407 1.674 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546838 987926005 /nfs/dbraw/zinc/92/60/05/987926005.db2.gz ATXGFRVJFFJRQU-UONOGXRCSA-N 3 1 239.407 1.674 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546838 987926020 /nfs/dbraw/zinc/92/60/20/987926020.db2.gz ATXGFRVJFFJRQU-UONOGXRCSA-N 3 1 239.407 1.674 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546838 987926027 /nfs/dbraw/zinc/92/60/27/987926027.db2.gz ATXGFRVJFFJRQU-UONOGXRCSA-N 3 1 239.407 1.674 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548052 987934985 /nfs/dbraw/zinc/93/49/85/987934985.db2.gz FGPPGNMBUGNAQT-HZSPNIEDSA-N 3 1 239.407 1.720 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548052 987934989 /nfs/dbraw/zinc/93/49/89/987934989.db2.gz FGPPGNMBUGNAQT-HZSPNIEDSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246549512 987935395 /nfs/dbraw/zinc/93/53/95/987935395.db2.gz LBWARYWIOGPWNI-SYQHCUMBSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246548195 987937964 /nfs/dbraw/zinc/93/79/64/987937964.db2.gz SPLYOHDTJUXIPH-GXTWGEPZSA-N 2 1 233.359 1.826 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CCO1 ZINC001246548386 987939979 /nfs/dbraw/zinc/93/99/79/987939979.db2.gz TVLOEZJUKZTTEZ-GRYCIOLGSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](O)CC2)CC[NH2+]1 ZINC001246551909 987951004 /nfs/dbraw/zinc/95/10/04/987951004.db2.gz NVVWNFMKJMAQBY-LOWDOPEQSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554567 987959679 /nfs/dbraw/zinc/95/96/79/987959679.db2.gz WPAILHBBSMCLQY-CHWSQXEVSA-N 2 1 225.380 1.284 20 0 BDADMP CCN1CC[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554567 987959694 /nfs/dbraw/zinc/95/96/94/987959694.db2.gz WPAILHBBSMCLQY-CHWSQXEVSA-N 2 1 225.380 1.284 20 0 BDADMP CCN1CC[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554567 987959704 /nfs/dbraw/zinc/95/97/04/987959704.db2.gz WPAILHBBSMCLQY-CHWSQXEVSA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246553420 987962871 /nfs/dbraw/zinc/96/28/71/987962871.db2.gz RTDAPGBHUYMCOQ-CYBMUJFWSA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246553420 987962875 /nfs/dbraw/zinc/96/28/75/987962875.db2.gz RTDAPGBHUYMCOQ-CYBMUJFWSA-N 2 1 225.380 1.284 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246555618 987967110 /nfs/dbraw/zinc/96/71/10/987967110.db2.gz XUFFQHRGKZYQKK-VXGBXAGGSA-N 3 1 213.369 1.188 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246555618 987967116 /nfs/dbraw/zinc/96/71/16/987967116.db2.gz XUFFQHRGKZYQKK-VXGBXAGGSA-N 3 1 213.369 1.188 20 0 BDADMP CCC[C@@H](CC)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556735 987970179 /nfs/dbraw/zinc/97/01/79/987970179.db2.gz FYRPZBBGMFTWRX-OLZOCXBDSA-N 2 1 228.380 1.741 20 0 BDADMP CCC[C@H](CC)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246556738 987971055 /nfs/dbraw/zinc/97/10/55/987971055.db2.gz FYRPZBBGMFTWRX-STQMWFEESA-N 2 1 228.380 1.741 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246557795 987974947 /nfs/dbraw/zinc/97/49/47/987974947.db2.gz HXNSXYFNDIQTJS-ZNSHCXBVSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246557795 987974952 /nfs/dbraw/zinc/97/49/52/987974952.db2.gz HXNSXYFNDIQTJS-ZNSHCXBVSA-N 2 1 200.301 1.559 20 0 BDADMP CCN1CC[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246560268 987984998 /nfs/dbraw/zinc/98/49/98/987984998.db2.gz QFCNVQKIQCYVOG-OLZOCXBDSA-N 2 1 243.370 1.234 20 0 BDADMP CC[N@@H+]1CC[C@@H](N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246560268 987985005 /nfs/dbraw/zinc/98/50/05/987985005.db2.gz QFCNVQKIQCYVOG-OLZOCXBDSA-N 2 1 243.370 1.234 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246560268 987985019 /nfs/dbraw/zinc/98/50/19/987985019.db2.gz QFCNVQKIQCYVOG-OLZOCXBDSA-N 2 1 243.370 1.234 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@](O)(CF)C2)C[NH2+]1 ZINC001246562950 988000329 /nfs/dbraw/zinc/00/03/29/988000329.db2.gz APVFCAMBRABKOM-JHJVBQTASA-N 2 1 244.354 1.313 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](O)(CF)C2)C[NH2+]1 ZINC001246562950 988000345 /nfs/dbraw/zinc/00/03/45/988000345.db2.gz APVFCAMBRABKOM-JHJVBQTASA-N 2 1 244.354 1.313 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246564520 988010870 /nfs/dbraw/zinc/01/08/70/988010870.db2.gz XQGIKSBYTOBIFQ-RWMBFGLXSA-N 3 1 227.396 1.291 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC001118118010 988021060 /nfs/dbraw/zinc/02/10/60/988021060.db2.gz CEFBWRLHYBZDGH-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC001118118010 988021077 /nfs/dbraw/zinc/02/10/77/988021077.db2.gz CEFBWRLHYBZDGH-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC001118118010 988021093 /nfs/dbraw/zinc/02/10/93/988021093.db2.gz CEFBWRLHYBZDGH-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC001246565891 988023224 /nfs/dbraw/zinc/02/32/24/988023224.db2.gz ZVWSJMNUTSYKPL-VXGBXAGGSA-N 2 1 244.404 1.058 20 0 BDADMP CSCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566090 988034070 /nfs/dbraw/zinc/03/40/70/988034070.db2.gz FGAQZWYDBBXHFT-KXUCPTDWSA-N 2 1 202.367 1.407 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C[C@@H]1F ZINC001246566672 988034791 /nfs/dbraw/zinc/03/47/91/988034791.db2.gz TYSLIDCUIQGFQB-ZNSHCXBVSA-N 2 1 200.301 1.417 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C[C@@H]1F ZINC001246566672 988034805 /nfs/dbraw/zinc/03/48/05/988034805.db2.gz TYSLIDCUIQGFQB-ZNSHCXBVSA-N 2 1 200.301 1.417 20 0 BDADMP C[N@H+]1CCC[C@@H](N2C[C@H]([NH3+])CC(F)(F)C2)CC1 ZINC001246569286 988043368 /nfs/dbraw/zinc/04/33/68/988043368.db2.gz DHPGCBQIAQVKKL-GHMZBOCLSA-N 2 1 247.333 1.139 20 0 BDADMP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@@H]3CCCC[C@@H]3C1)CCN2 ZINC001246571019 988047568 /nfs/dbraw/zinc/04/75/68/988047568.db2.gz JRXIIDJVGGWVAL-MJBXVCDLSA-N 2 1 249.402 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](F)C2)CC[NH2+]1 ZINC001246571824 988057073 /nfs/dbraw/zinc/05/70/73/988057073.db2.gz NHYSDQOENQLTNN-DDHJBXDOSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](F)C2)CC[NH2+]1 ZINC001246571824 988057092 /nfs/dbraw/zinc/05/70/92/988057092.db2.gz NHYSDQOENQLTNN-DDHJBXDOSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](O)[C@H](C)C2)CC[NH2+]1 ZINC001246571268 988058475 /nfs/dbraw/zinc/05/84/75/988058475.db2.gz ASHPNBXEESDEFI-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246573796 988067360 /nfs/dbraw/zinc/06/73/60/988067360.db2.gz ZDMFORNRHUWJSW-XJFOESAGSA-N 3 1 239.407 1.434 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246574109 988069349 /nfs/dbraw/zinc/06/93/49/988069349.db2.gz DCFKPTCTIFLUAG-CHWSQXEVSA-N 2 1 243.370 1.234 20 0 BDADMP C[C@H]1C[N@H+](C2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001246573045 988070227 /nfs/dbraw/zinc/07/02/27/988070227.db2.gz YSIPBAQRBGQHTL-NWDGAFQWSA-N 2 1 226.364 1.472 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246575208 988085522 /nfs/dbraw/zinc/08/55/22/988085522.db2.gz ZVKWODHSQUVTHD-LOWDOPEQSA-N 2 1 244.354 1.705 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246575208 988085541 /nfs/dbraw/zinc/08/55/41/988085541.db2.gz ZVKWODHSQUVTHD-LOWDOPEQSA-N 2 1 244.354 1.705 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578784 988099635 /nfs/dbraw/zinc/09/96/35/988099635.db2.gz CDRDBMXQOIDGNI-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578784 988099647 /nfs/dbraw/zinc/09/96/47/988099647.db2.gz CDRDBMXQOIDGNI-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@@H]1C ZINC001246580211 988108096 /nfs/dbraw/zinc/10/80/96/988108096.db2.gz LBKOUFCQXWAAIJ-KSSYENDESA-N 2 1 226.364 1.063 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@H]1C ZINC001246580218 988110430 /nfs/dbraw/zinc/11/04/30/988110430.db2.gz LBKOUFCQXWAAIJ-UJPOAAIJSA-N 2 1 226.364 1.063 20 0 BDADMP CN1CC[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)C1 ZINC001246583356 988121147 /nfs/dbraw/zinc/12/11/47/988121147.db2.gz JURDXDKFUBVOFZ-CHWSQXEVSA-N 2 1 225.380 1.141 20 0 BDADMP CC1(C)C[C@@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246583744 988123277 /nfs/dbraw/zinc/12/32/77/988123277.db2.gz RSIDYRRYXPMHLI-UWVGGRQHSA-N 2 1 247.333 1.185 20 0 BDADMP CC1(C)C[C@H](N2CCC(F)(F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246583748 988128466 /nfs/dbraw/zinc/12/84/66/988128466.db2.gz RSIDYRRYXPMHLI-ZJUUUORDSA-N 2 1 247.333 1.185 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246584258 988136264 /nfs/dbraw/zinc/13/62/64/988136264.db2.gz IQKRQGPQRFMNAX-WRWGMCAJSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246584258 988136276 /nfs/dbraw/zinc/13/62/76/988136276.db2.gz IQKRQGPQRFMNAX-WRWGMCAJSA-N 2 1 214.328 1.936 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246585832 988139686 /nfs/dbraw/zinc/13/96/86/988139686.db2.gz RGSBJDUSWQZTGG-CYDGBPFRSA-N 2 1 240.391 1.453 20 0 BDADMP CCC(CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246586694 988147406 /nfs/dbraw/zinc/14/74/06/988147406.db2.gz MZODBIBQZDILOI-GHMZBOCLSA-N 2 1 202.317 1.936 20 0 BDADMP CCC(CC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246586694 988147420 /nfs/dbraw/zinc/14/74/20/988147420.db2.gz MZODBIBQZDILOI-GHMZBOCLSA-N 2 1 202.317 1.936 20 0 BDADMP CC1(C)C[N@@H+](C2CC[NH2+]CC2)[C@](C)(CO)C1 ZINC001246588881 988154378 /nfs/dbraw/zinc/15/43/78/988154378.db2.gz LPEYIARCTWNOSR-ZDUSSCGKSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC(C)(C)C[C@@]2(C)CO)C[NH2+]1 ZINC001246590266 988171302 /nfs/dbraw/zinc/17/13/02/988171302.db2.gz SBFRHJPSJCHVBA-DYEKYZERSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC(C)(C)C[C@@]2(C)CO)C[NH2+]1 ZINC001246590266 988171320 /nfs/dbraw/zinc/17/13/20/988171320.db2.gz SBFRHJPSJCHVBA-DYEKYZERSA-N 2 1 240.391 1.610 20 0 BDADMP CC1(C)C[N@@H+]([C@H]2CCC[NH2+]C2)[C@@](C)(CO)C1 ZINC001246591674 988173146 /nfs/dbraw/zinc/17/31/46/988173146.db2.gz WWDLVOAPPWQKKN-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599124 988202206 /nfs/dbraw/zinc/20/22/06/988202206.db2.gz ARHCVOFCHZEXPS-MGPQQGTHSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599124 988202214 /nfs/dbraw/zinc/20/22/14/988202214.db2.gz ARHCVOFCHZEXPS-MGPQQGTHSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@H](Cc1cccnc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246601448 988206376 /nfs/dbraw/zinc/20/63/76/988206376.db2.gz VJLSFRLMJKHZSQ-LLVKDONJSA-N 2 1 219.332 1.293 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH2+]1 ZINC001246599967 988211173 /nfs/dbraw/zinc/21/11/73/988211173.db2.gz QLEVCFUPSOLQEO-CYDGBPFRSA-N 2 1 226.364 1.362 20 0 BDADMP CCCC[C@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246627243 988290124 /nfs/dbraw/zinc/29/01/24/988290124.db2.gz UNZKKKPVFBQGPX-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP O=C1C[C@H]2C[C@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246633190 988312349 /nfs/dbraw/zinc/31/23/49/988312349.db2.gz JZEZHNABPFZTOE-QPKSUZNQSA-N 2 1 234.343 1.180 20 0 BDADMP O=C1C[C@H]2C[C@H]([N@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246633190 988312363 /nfs/dbraw/zinc/31/23/63/988312363.db2.gz JZEZHNABPFZTOE-QPKSUZNQSA-N 2 1 234.343 1.180 20 0 BDADMP OCC[C@@H]1CC12CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246632151 988317621 /nfs/dbraw/zinc/31/76/21/988317621.db2.gz ZJXYWUJELIKJSQ-OLZOCXBDSA-N 2 1 238.375 1.223 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246637799 988324947 /nfs/dbraw/zinc/32/49/47/988324947.db2.gz KTVRAWSLSRYGJP-NZEXEKPDSA-N 2 1 220.360 1.857 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCCSC2)[NH2+]1 ZINC001246637771 988330233 /nfs/dbraw/zinc/33/02/33/988330233.db2.gz JVZOBGIUXVEWIA-GMTAPVOTSA-N 2 1 212.362 1.318 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638302 988334677 /nfs/dbraw/zinc/33/46/77/988334677.db2.gz RTCRUKWZFLVFPA-HZSPNIEDSA-N 2 1 237.391 1.202 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246644076 988354603 /nfs/dbraw/zinc/35/46/03/988354603.db2.gz PMXHXELBSPZFJX-ZIAGYGMSSA-N 2 1 237.391 1.299 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCCC[N@H+]2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645662 988363918 /nfs/dbraw/zinc/36/39/18/988363918.db2.gz CWZURFDCLXYQHN-YJNKXOJESA-N 3 1 249.402 1.202 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCCCN2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645662 988363924 /nfs/dbraw/zinc/36/39/24/988363924.db2.gz CWZURFDCLXYQHN-YJNKXOJESA-N 2 1 249.402 1.202 20 0 BDADMP C1C[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246653951 988376030 /nfs/dbraw/zinc/37/60/30/988376030.db2.gz GARWNBFVOQGCQE-NWDGAFQWSA-N 2 1 208.349 1.860 20 0 BDADMP C1C[C@H]2CC[N@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246653951 988376039 /nfs/dbraw/zinc/37/60/39/988376039.db2.gz GARWNBFVOQGCQE-NWDGAFQWSA-N 2 1 208.349 1.860 20 0 BDADMP C1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2(C1)CC[NH2+]CC2 ZINC001246654963 988377766 /nfs/dbraw/zinc/37/77/66/988377766.db2.gz OQGUXKDIEZOTCI-PBWFPOADSA-N 3 1 249.402 1.487 20 0 BDADMP C1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2(C1)CC[NH2+]CC2 ZINC001246654963 988377770 /nfs/dbraw/zinc/37/77/70/988377770.db2.gz OQGUXKDIEZOTCI-PBWFPOADSA-N 2 1 249.402 1.487 20 0 BDADMP FC1(F)CC[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246659831 988391581 /nfs/dbraw/zinc/39/15/81/988391581.db2.gz YGIPGTLEWBGCBL-MXWKQRLJSA-N 2 1 230.302 1.716 20 0 BDADMP C1[C@H]2NCC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)[C@@H]12 ZINC001246659789 988393059 /nfs/dbraw/zinc/39/30/59/988393059.db2.gz HFCCNPXUWIMIRY-KGLIPLIRSA-N 2 1 249.402 1.345 20 0 BDADMP C1[C@H]2[NH2+]CCN(C3CCC4(CC[NH2+]CC4)CC3)[C@@H]12 ZINC001246659789 988393074 /nfs/dbraw/zinc/39/30/74/988393074.db2.gz HFCCNPXUWIMIRY-KGLIPLIRSA-N 2 1 249.402 1.345 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246664339 988405288 /nfs/dbraw/zinc/40/52/88/988405288.db2.gz MTPDNPGXKVLZDZ-YRGRVCCFSA-N 3 1 237.391 1.330 20 0 BDADMP CC1(C)C[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246664339 988405294 /nfs/dbraw/zinc/40/52/94/988405294.db2.gz MTPDNPGXKVLZDZ-YRGRVCCFSA-N 3 1 237.391 1.330 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246664337 988406428 /nfs/dbraw/zinc/40/64/28/988406428.db2.gz MTPDNPGXKVLZDZ-MBNYWOFBSA-N 3 1 237.391 1.330 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC001246664337 988406433 /nfs/dbraw/zinc/40/64/33/988406433.db2.gz MTPDNPGXKVLZDZ-MBNYWOFBSA-N 3 1 237.391 1.330 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246677222 988421571 /nfs/dbraw/zinc/42/15/71/988421571.db2.gz HBDADJAJJBAHOK-WCQYABFASA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)CC[C@H]2O1 ZINC001246696765 988441839 /nfs/dbraw/zinc/44/18/39/988441839.db2.gz RIDFXONPITXUFW-QSLWVIQJSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)CC[C@H]2O1 ZINC001246696765 988441851 /nfs/dbraw/zinc/44/18/51/988441851.db2.gz RIDFXONPITXUFW-QSLWVIQJSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCCO3)CC2)CC[NH2+]1 ZINC001246803827 988486080 /nfs/dbraw/zinc/48/60/80/988486080.db2.gz DLXSJMZXSCPYGB-CHWSQXEVSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@H](C)C1 ZINC001246810495 988487848 /nfs/dbraw/zinc/48/78/48/988487848.db2.gz NRUJNTYWPQJYMT-JHJVBQTASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246808768 988492431 /nfs/dbraw/zinc/49/24/31/988492431.db2.gz PCBCDGGCJRBERP-WJTVCTBASA-N 3 1 223.364 1.081 20 0 BDADMP CC1(C)C[N@H+](C2CCC3(C[NH2+]C3)CC2)CCN1 ZINC001246814939 988497342 /nfs/dbraw/zinc/49/73/42/988497342.db2.gz ANPPRKJAWGYIKH-UHFFFAOYSA-N 2 1 237.391 1.202 20 0 BDADMP CC1(C)CN(C2CCC3(C[NH2+]C3)CC2)CC[NH2+]1 ZINC001246814939 988497346 /nfs/dbraw/zinc/49/73/46/988497346.db2.gz ANPPRKJAWGYIKH-UHFFFAOYSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](n3cncn3)C2)CC[NH2+]1 ZINC001246823121 988513170 /nfs/dbraw/zinc/51/31/70/988513170.db2.gz NCKOUQSDHKELDE-JHJVBQTASA-N 2 1 249.362 1.056 20 0 BDADMP C[C@@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H](C)N1 ZINC001246825903 988515740 /nfs/dbraw/zinc/51/57/40/988515740.db2.gz WQZORWUKEDNZGD-TXEJJXNPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CN(C2CCC3(C[NH2+]C3)CC2)C[C@H](C)[NH2+]1 ZINC001246825903 988515758 /nfs/dbraw/zinc/51/57/58/988515758.db2.gz WQZORWUKEDNZGD-TXEJJXNPSA-N 2 1 237.391 1.201 20 0 BDADMP C1CC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)O1 ZINC001246837490 988543113 /nfs/dbraw/zinc/54/31/13/988543113.db2.gz PQBOBKJYDRECGB-FUNVUKJBSA-N 2 1 236.359 1.524 20 0 BDADMP CC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246850912 988565944 /nfs/dbraw/zinc/56/59/44/988565944.db2.gz KCHXQFSJADVJCY-KGYLQXTDSA-N 2 1 224.348 1.428 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1CCc3ncsc3C1)C2 ZINC001246851269 988569417 /nfs/dbraw/zinc/56/94/17/988569417.db2.gz FBWJRAYDEHXMSH-CWSCBRNRSA-N 2 1 249.383 1.424 20 0 BDADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246853249 988572419 /nfs/dbraw/zinc/57/24/19/988572419.db2.gz LJJHBIKVPGLIPC-FVCCEPFGSA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001246855670 988575893 /nfs/dbraw/zinc/57/58/93/988575893.db2.gz VCEHXFFWHMDBME-JMSVASOKSA-N 2 1 246.329 1.716 20 0 BDADMP CCCC[C@H](CC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860096 988584764 /nfs/dbraw/zinc/58/47/64/988584764.db2.gz NMSLQCZDYQYTJK-WJLOJVBCSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH2+]1 ZINC001246858366 988589837 /nfs/dbraw/zinc/58/98/37/988589837.db2.gz GASNYFMBGSQHJV-HTFCKZLJSA-N 2 1 212.312 1.559 20 0 BDADMP C1CCC2(CC1)C[N@@H+](C1CC[NH2+]CC1)CCO2 ZINC001246860995 988600129 /nfs/dbraw/zinc/60/01/29/988600129.db2.gz IVFBSMSWXLCKDJ-UHFFFAOYSA-N 2 1 238.375 1.774 20 0 BDADMP C1CCC2(CC1)C[N@H+](C1CC[NH2+]CC1)CCO2 ZINC001246860995 988600146 /nfs/dbraw/zinc/60/01/46/988600146.db2.gz IVFBSMSWXLCKDJ-UHFFFAOYSA-N 2 1 238.375 1.774 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246863543 988608943 /nfs/dbraw/zinc/60/89/43/988608943.db2.gz YKOAAXXRYVQURV-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246863543 988608958 /nfs/dbraw/zinc/60/89/58/988608958.db2.gz YKOAAXXRYVQURV-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCCSC1)C2 ZINC001246864911 988614725 /nfs/dbraw/zinc/61/47/25/988614725.db2.gz WOIYKLRALPKYQK-VWYCJHECSA-N 2 1 212.362 1.305 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C)OC[C@H]2C)CC[NH2+]1 ZINC001246870067 988624139 /nfs/dbraw/zinc/62/41/39/988624139.db2.gz KCAWEELWIGTYDQ-KKOKHZNYSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)OC[C@H]2C)CC[NH2+]1 ZINC001246870067 988624158 /nfs/dbraw/zinc/62/41/58/988624158.db2.gz KCAWEELWIGTYDQ-KKOKHZNYSA-N 2 1 212.337 1.236 20 0 BDADMP CCOC1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246870833 988634958 /nfs/dbraw/zinc/63/49/58/988634958.db2.gz PGNXJRQCVBECGJ-WTIISPKJSA-N 2 1 224.348 1.367 20 0 BDADMP CCOC1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246870833 988634967 /nfs/dbraw/zinc/63/49/67/988634967.db2.gz PGNXJRQCVBECGJ-WTIISPKJSA-N 2 1 224.348 1.367 20 0 BDADMP C[N@@H+](C1CC1)C1CCN(C2CC[NH2+]CC2)CC1 ZINC001246876754 988644036 /nfs/dbraw/zinc/64/40/36/988644036.db2.gz PJOIOXYVPQJSBD-UHFFFAOYSA-N 2 1 237.391 1.297 20 0 BDADMP NC[C@H]1CCC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246907259 988690289 /nfs/dbraw/zinc/69/02/89/988690289.db2.gz JBIKUMILVIXQOM-CHWSQXEVSA-N 2 1 237.391 1.332 20 0 BDADMP CC[C@@H]1CC([N@@H+](C)CCO)C[C@@H](CC)[NH2+]1 ZINC001246915948 988704185 /nfs/dbraw/zinc/70/41/85/988704185.db2.gz ZJRLMPSCWPUVLY-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)CC[NH2+]1 ZINC001246919848 988729437 /nfs/dbraw/zinc/72/94/37/988729437.db2.gz SCVXOZATYXWRHW-AAVRWANBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246930178 988755378 /nfs/dbraw/zinc/75/53/78/988755378.db2.gz IHYAETYTUINMQG-IGQOVBAYSA-N 3 1 237.391 1.058 20 0 BDADMP COC(=O)C[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246970260 988798511 /nfs/dbraw/zinc/79/85/11/988798511.db2.gz YTECPAIIXWQLPB-TUAOUCFPSA-N 2 1 240.347 1.012 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246980686 988812382 /nfs/dbraw/zinc/81/23/82/988812382.db2.gz RQUDCGUBTPFJRG-IGQOVBAYSA-N 2 1 237.391 1.010 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246980686 988812387 /nfs/dbraw/zinc/81/23/87/988812387.db2.gz RQUDCGUBTPFJRG-IGQOVBAYSA-N 2 1 237.391 1.010 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246980686 988812395 /nfs/dbraw/zinc/81/23/95/988812395.db2.gz RQUDCGUBTPFJRG-IGQOVBAYSA-N 3 1 237.391 1.010 20 0 BDADMP CC[N@H+]1C[C@H]2CN([C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]2C1 ZINC001246980686 988812399 /nfs/dbraw/zinc/81/23/99/988812399.db2.gz RQUDCGUBTPFJRG-IGQOVBAYSA-N 2 1 237.391 1.010 20 0 BDADMP CC[N@@H+]1C[C@H]2CN([C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]2C1 ZINC001246980686 988812407 /nfs/dbraw/zinc/81/24/07/988812407.db2.gz RQUDCGUBTPFJRG-IGQOVBAYSA-N 2 1 237.391 1.010 20 0 BDADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990103 988820082 /nfs/dbraw/zinc/82/00/82/988820082.db2.gz OBVCXNSAWRFQTH-AVGNSLFASA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990103 988820086 /nfs/dbraw/zinc/82/00/86/988820086.db2.gz OBVCXNSAWRFQTH-AVGNSLFASA-N 2 1 240.391 1.861 20 0 BDADMP C[N@H+]1CCN([C@@H]2CCC[NH2+]C2)C2(CCCC2)C1 ZINC001246990748 988826633 /nfs/dbraw/zinc/82/66/33/988826633.db2.gz IYNMWAGVEJUAAS-CYBMUJFWSA-N 2 1 237.391 1.299 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246991479 988826786 /nfs/dbraw/zinc/82/67/86/988826786.db2.gz TZTGIXLJTABKGZ-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246991479 988826792 /nfs/dbraw/zinc/82/67/92/988826792.db2.gz TZTGIXLJTABKGZ-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CC[NH2+]C ZINC001246997047 988829022 /nfs/dbraw/zinc/82/90/22/988829022.db2.gz USNDCBVUGRJEOV-QWHCGFSZSA-N 3 1 227.396 1.306 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CC[NH2+]C ZINC001246997047 988829025 /nfs/dbraw/zinc/82/90/25/988829025.db2.gz USNDCBVUGRJEOV-QWHCGFSZSA-N 3 1 227.396 1.306 20 0 BDADMP COC(=O)[C@]1(C)CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001247000380 988832476 /nfs/dbraw/zinc/83/24/76/988832476.db2.gz ICXCBLVSZAKXHT-GMXVVIOVSA-N 2 1 240.347 1.012 20 0 BDADMP COC(=O)[C@]1(C)CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001247000379 988833951 /nfs/dbraw/zinc/83/39/51/988833951.db2.gz ICXCBLVSZAKXHT-DMDPSCGWSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC[C@@H]3[NH3+])CC2)CC[NH2+]1 ZINC001247004829 988835795 /nfs/dbraw/zinc/83/57/95/988835795.db2.gz VPPHCTYEXXAGJQ-AGIUHOORSA-N 3 1 237.391 1.330 20 0 BDADMP Cc1cnccc1-c1noc([C@@H]([NH3+])CCC[NH3+])n1 ZINC001247509535 988908928 /nfs/dbraw/zinc/90/89/28/988908928.db2.gz VYMRMRJMZQXLER-JTQLQIEISA-N 2 1 247.302 1.179 20 0 BDADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cccnc2)no1 ZINC001247696130 988985286 /nfs/dbraw/zinc/98/52/86/988985286.db2.gz PVRGVAQYNSINEC-JTQLQIEISA-N 2 1 247.302 1.260 20 0 BDADMP CC1CC[NH+](CCCNc2cc[nH+]c(N)n2)CC1 ZINC001515328303 989026128 /nfs/dbraw/zinc/02/61/28/989026128.db2.gz PGYZXHVHNCPPDH-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCNc2nccnc2C[NH3+])C1 ZINC001515361153 989036413 /nfs/dbraw/zinc/03/64/13/989036413.db2.gz BYXIXIUNWBWEFI-LLVKDONJSA-N 2 1 249.362 1.079 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccnc(N)n1 ZINC001515702795 989103021 /nfs/dbraw/zinc/10/30/21/989103021.db2.gz QTLCBICEMKSTHR-JTQLQIEISA-N 2 1 249.362 1.591 20 0 BDADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc[nH+]c(N)n1 ZINC001515702795 989103028 /nfs/dbraw/zinc/10/30/28/989103028.db2.gz QTLCBICEMKSTHR-JTQLQIEISA-N 2 1 249.362 1.591 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cc[nH+]c(N)n1 ZINC001515702795 989103034 /nfs/dbraw/zinc/10/30/34/989103034.db2.gz QTLCBICEMKSTHR-JTQLQIEISA-N 2 1 249.362 1.591 20 0 BDADMP Cc1[nH+]ccn1CCNc1cc[nH+]c(CO)c1 ZINC001515957367 989132912 /nfs/dbraw/zinc/13/29/12/989132912.db2.gz WRUFBCGFVBPYML-UHFFFAOYSA-N 2 1 232.287 1.191 20 0 BDADMP Cc1cc(N)nc(NC[C@H]2CCCC[N@H+]2C)[nH+]1 ZINC001516106130 989141441 /nfs/dbraw/zinc/14/14/41/989141441.db2.gz CSYPQIHIFGKZLW-SNVBAGLBSA-N 2 1 235.335 1.263 20 0 BDADMP Cc1cc(N)nc(NC[C@H]2CCCC[N@@H+]2C)[nH+]1 ZINC001516106130 989141443 /nfs/dbraw/zinc/14/14/43/989141443.db2.gz CSYPQIHIFGKZLW-SNVBAGLBSA-N 2 1 235.335 1.263 20 0 BDADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1F ZINC001326074578 989364339 /nfs/dbraw/zinc/36/43/39/989364339.db2.gz FGDTYWJZLWSCEO-GFCCVEGCSA-N 2 1 238.306 1.661 20 0 BDADMP Cc1ccccc1NC(=[NH2+])NCC[NH+]1CCC1 ZINC001326940642 989778052 /nfs/dbraw/zinc/77/80/52/989778052.db2.gz PXJKEKWIEJXNPT-UHFFFAOYSA-N 2 1 232.331 1.637 20 0 BDADMP C[N@H+](CCNc1cc(N)[nH+]cn1)C1CCCCC1 ZINC001120809755 989895590 /nfs/dbraw/zinc/89/55/90/989895590.db2.gz NKGCFGHIVUUNAY-UHFFFAOYSA-N 2 1 249.362 1.735 20 0 BDADMP C[N@@H+](CCNc1cc(N)[nH+]cn1)C1CCCCC1 ZINC001120809755 989895596 /nfs/dbraw/zinc/89/55/96/989895596.db2.gz NKGCFGHIVUUNAY-UHFFFAOYSA-N 2 1 249.362 1.735 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(F)nc3)C[C@@H]2C1 ZINC001137736317 990844982 /nfs/dbraw/zinc/84/49/82/990844982.db2.gz IUQNPNGIKULPIR-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)nc3)C[C@@H]2C1 ZINC001137736317 990844984 /nfs/dbraw/zinc/84/49/84/990844984.db2.gz IUQNPNGIKULPIR-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)nc3)C[C@@H]2C1 ZINC001137736317 990844987 /nfs/dbraw/zinc/84/49/87/990844987.db2.gz IUQNPNGIKULPIR-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)nc3)C[C@@H]2C1 ZINC001137736317 990844990 /nfs/dbraw/zinc/84/49/90/990844990.db2.gz IUQNPNGIKULPIR-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)nc3)C[C@@H]2C1 ZINC001137736317 990844993 /nfs/dbraw/zinc/84/49/93/990844993.db2.gz IUQNPNGIKULPIR-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3ccc(F)nc3)C2)CC1 ZINC001137741650 990847048 /nfs/dbraw/zinc/84/70/48/990847048.db2.gz NLJPFKIQABGFDP-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP Cc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)on1 ZINC001308431677 990992247 /nfs/dbraw/zinc/99/22/47/990992247.db2.gz SFVDWVZUXZEYDQ-UHFFFAOYSA-N 2 1 242.282 1.921 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001258105959 991015555 /nfs/dbraw/zinc/01/55/55/991015555.db2.gz VFOBLPUGDMYOLU-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP C[C@@H]1CC([NH2+]CCC[N@@H+](C)CCO)C[C@@H](C)C1 ZINC001258164004 991031289 /nfs/dbraw/zinc/03/12/89/991031289.db2.gz PSAHIZTYQXUCFU-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP CSCC[C@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258204291 991122865 /nfs/dbraw/zinc/12/28/65/991122865.db2.gz RNSRMHNSCRGZGC-VHSXEESVSA-N 2 1 243.376 1.059 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001258350889 991276995 /nfs/dbraw/zinc/27/69/95/991276995.db2.gz DYPADLDDYYGYOV-NEPJUHHUSA-N 2 1 242.363 1.260 20 0 BDADMP CCOC(=O)CC[C@H](C)n1c[nH+]cc1CC[NH3+] ZINC001258472364 991442757 /nfs/dbraw/zinc/44/27/57/991442757.db2.gz DKVOAHMENPWFES-JTQLQIEISA-N 2 1 239.319 1.289 20 0 BDADMP C[C@@H](CC1CC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258473595 991445105 /nfs/dbraw/zinc/44/51/05/991445105.db2.gz OSLKMRRDYLIFCE-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H](CC1CC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258473595 991445108 /nfs/dbraw/zinc/44/51/08/991445108.db2.gz OSLKMRRDYLIFCE-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H](CC1CC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258473595 991445115 /nfs/dbraw/zinc/44/51/15/991445115.db2.gz OSLKMRRDYLIFCE-WCFLWFBJSA-N 2 1 208.349 1.668 20 0 BDADMP CC[N@H+]1CCC[C@H](CNCc2ccnn2C)C1 ZINC001560297391 991448541 /nfs/dbraw/zinc/44/85/41/991448541.db2.gz CEGUWNWBEBXHCR-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001560297391 991448550 /nfs/dbraw/zinc/44/85/50/991448550.db2.gz CEGUWNWBEBXHCR-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001560297391 991448555 /nfs/dbraw/zinc/44/85/55/991448555.db2.gz CEGUWNWBEBXHCR-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3[O-])C[C@@H]2C1 ZINC001140274846 991580112 /nfs/dbraw/zinc/58/01/12/991580112.db2.gz NJQNMQOJBPQYPM-YPMHNXCESA-N 2 1 247.342 1.171 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3O)C[C@@H]2C1 ZINC001140274846 991580139 /nfs/dbraw/zinc/58/01/39/991580139.db2.gz NJQNMQOJBPQYPM-YPMHNXCESA-N 2 1 247.342 1.171 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3O)C[C@@H]2C1 ZINC001140274846 991580149 /nfs/dbraw/zinc/58/01/49/991580149.db2.gz NJQNMQOJBPQYPM-YPMHNXCESA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3O)C[C@@H]2C1 ZINC001140274846 991580159 /nfs/dbraw/zinc/58/01/59/991580159.db2.gz NJQNMQOJBPQYPM-YPMHNXCESA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3O)C[C@@H]2C1 ZINC001140274846 991580163 /nfs/dbraw/zinc/58/01/63/991580163.db2.gz NJQNMQOJBPQYPM-YPMHNXCESA-N 2 1 247.342 1.171 20 0 BDADMP CC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)C1 ZINC001561052892 991706992 /nfs/dbraw/zinc/70/69/92/991706992.db2.gz OCHPPFKFGFCHAP-MMJCSWOSSA-N 2 1 208.349 1.715 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCOC[C@@H](C)C2)CC1 ZINC001258771692 991737708 /nfs/dbraw/zinc/73/77/08/991737708.db2.gz OZUNKHWPDFTHTB-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001474736987 991825788 /nfs/dbraw/zinc/82/57/88/991825788.db2.gz KLTYYOOYROCNHT-WCQYABFASA-N 2 1 249.358 1.668 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001474736987 991825789 /nfs/dbraw/zinc/82/57/89/991825789.db2.gz KLTYYOOYROCNHT-WCQYABFASA-N 2 1 249.358 1.668 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C)[C@@H]1CCOC1 ZINC001319394422 991855734 /nfs/dbraw/zinc/85/57/34/991855734.db2.gz PJLALAGFRSMCRJ-DGAVXFQQSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC001258898225 991889648 /nfs/dbraw/zinc/88/96/48/991889648.db2.gz TXUPCOPFUKLHFI-NEPJUHHUSA-N 2 1 242.363 1.402 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC001320576884 992252090 /nfs/dbraw/zinc/25/20/90/992252090.db2.gz LJFLLOWWFBPRGV-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(F)c(OC)c1 ZINC001261370268 992277553 /nfs/dbraw/zinc/27/75/53/992277553.db2.gz DEEUPFLEENGYFL-SNVBAGLBSA-N 2 1 240.322 1.922 20 0 BDADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC001261566399 992384845 /nfs/dbraw/zinc/38/48/45/992384845.db2.gz FSZQXTALRBVCLZ-LLVKDONJSA-N 2 1 238.379 1.337 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](CC)C1 ZINC001261566655 992389167 /nfs/dbraw/zinc/38/91/67/992389167.db2.gz VBJWZHKWJXHBSJ-NWDGAFQWSA-N 2 1 240.395 1.631 20 0 BDADMP C([N@H+]1CCCC2(CC[NH2+]CC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC001261648037 992443605 /nfs/dbraw/zinc/44/36/05/992443605.db2.gz PZIUUDZNISGYLZ-DZGCQCFKSA-N 3 1 249.402 1.062 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262202526 992800391 /nfs/dbraw/zinc/80/03/91/992800391.db2.gz WGJNIXZZWXGMBB-FVCCEPFGSA-N 3 1 239.407 1.208 20 0 BDADMP FC1(F)[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001574227461 992824760 /nfs/dbraw/zinc/82/47/60/992824760.db2.gz HKEAKBGUADVVAJ-ZDCRXTMVSA-N 2 1 230.302 1.762 20 0 BDADMP C([NH2+][C@H]1CCCOC1)[C@H]1CCCCC[NH2+]1 ZINC001574799956 992915007 /nfs/dbraw/zinc/91/50/07/992915007.db2.gz GGUOBKGFHSUTQC-NEPJUHHUSA-N 2 1 212.337 1.287 20 0 BDADMP CC(C)(C)OCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001575250407 993002436 /nfs/dbraw/zinc/00/24/36/993002436.db2.gz SVYRSAKGKSGYEW-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)(C)OCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC001575250407 993002440 /nfs/dbraw/zinc/00/24/40/993002440.db2.gz SVYRSAKGKSGYEW-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)(C[NH3+])C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001575314896 993006592 /nfs/dbraw/zinc/00/65/92/993006592.db2.gz BPRCSBBXUZERAQ-DTWKUNHWSA-N 2 1 218.291 1.558 20 0 BDADMP CC(C)(C[NH3+])CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC001575314851 993010134 /nfs/dbraw/zinc/01/01/34/993010134.db2.gz AGWRBIBVNQOGIA-LLVKDONJSA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)(C[NH3+])C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC001575314851 993010142 /nfs/dbraw/zinc/01/01/42/993010142.db2.gz AGWRBIBVNQOGIA-LLVKDONJSA-N 2 1 227.396 1.434 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)[nH+]1 ZINC001262678475 993021064 /nfs/dbraw/zinc/02/10/64/993021064.db2.gz BBQZBJOSOQNQIQ-WDEREUQCSA-N 2 1 247.346 1.406 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CC[N@H+]3CCCC[C@H]23)[nH+]1 ZINC001262678475 993021068 /nfs/dbraw/zinc/02/10/68/993021068.db2.gz BBQZBJOSOQNQIQ-WDEREUQCSA-N 2 1 247.346 1.406 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC001575358404 993022780 /nfs/dbraw/zinc/02/27/80/993022780.db2.gz PZXXQUZIKJUMNY-UHFFFAOYSA-N 2 1 249.358 1.493 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1C[NH+]2CCC1CC2 ZINC001575421752 993041460 /nfs/dbraw/zinc/04/14/60/993041460.db2.gz CNXISJXQUOFPAE-KBPBESRZSA-N 3 1 239.407 1.149 20 0 BDADMP CC(C)C[C@H](O)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575548882 993068779 /nfs/dbraw/zinc/06/87/79/993068779.db2.gz CIMFNGZRUPGAAA-IUCAKERBSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575696440 993094103 /nfs/dbraw/zinc/09/41/03/993094103.db2.gz ASFMZYXRZJZUDG-NELGMTEASA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC001575798018 993106964 /nfs/dbraw/zinc/10/69/64/993106964.db2.gz BKUHXGKTBVOPSA-UNTZMWQOSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@H]([NH3+])CN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001576157156 993196521 /nfs/dbraw/zinc/19/65/21/993196521.db2.gz OFJAZHXMSIDRAY-NWDGAFQWSA-N 2 1 225.380 1.282 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576262568 993238984 /nfs/dbraw/zinc/23/89/84/993238984.db2.gz FHKLCEUDHZJYPL-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001576267581 993240166 /nfs/dbraw/zinc/24/01/66/993240166.db2.gz WYPUQDHSRUPYDN-WUHRBBMRSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](c1nccc(N)n1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576314032 993256091 /nfs/dbraw/zinc/25/60/91/993256091.db2.gz CPWRFJRARZDWAV-SNVBAGLBSA-N 2 1 249.362 1.051 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576395110 993297290 /nfs/dbraw/zinc/29/72/90/993297290.db2.gz XVXBCHYKXDKOPO-TUAOUCFPSA-N 2 1 226.364 1.207 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001576484052 993318843 /nfs/dbraw/zinc/31/88/43/993318843.db2.gz LJLDCHGMAZQACT-BZPMIXESSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000380355655 993327475 /nfs/dbraw/zinc/32/74/75/993327475.db2.gz WSRMGWAYPIFDPV-WOPDTQHZSA-N 2 1 214.328 1.951 20 0 BDADMP CC1=CC[C@@H]([NH2+]C[C@]2(C)C[NH2+]CCO2)CC1 ZINC001576556325 993341160 /nfs/dbraw/zinc/34/11/60/993341160.db2.gz OWXAEJKJFCSTIA-OLZOCXBDSA-N 2 1 224.348 1.453 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000380668637 993341728 /nfs/dbraw/zinc/34/17/28/993341728.db2.gz AIOBYBBOUGREIK-STQMWFEESA-N 2 1 226.364 1.474 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000380668636 993342967 /nfs/dbraw/zinc/34/29/67/993342967.db2.gz AIOBYBBOUGREIK-QWHCGFSZSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@@]1(O)CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001576547741 993343068 /nfs/dbraw/zinc/34/30/68/993343068.db2.gz XMIWWLKDSBWEFP-YNEHKIRRSA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001576571909 993348368 /nfs/dbraw/zinc/34/83/68/993348368.db2.gz HDMIDCMIDHVLJW-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1CC(C)(C)C[N@H+]1C[C@]1(O)CCC[NH2+]C1 ZINC001576589502 993359362 /nfs/dbraw/zinc/35/93/62/993359362.db2.gz QJBNKDTYSZBBGZ-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[C@H](C[NH2+]C2(c3ncon3)CC2)CC[NH2+]1 ZINC001576597812 993361269 /nfs/dbraw/zinc/36/12/69/993361269.db2.gz IPDSWJUSDHOEIG-VHSXEESVSA-N 2 1 236.319 1.036 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC[NH2+]1 ZINC001576597829 993361949 /nfs/dbraw/zinc/36/19/49/993361949.db2.gz JEPSASZRNGYPIY-MQLXINIDSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCO1 ZINC001576598202 993363870 /nfs/dbraw/zinc/36/38/70/993363870.db2.gz MQTIPJUNQRBBRM-DGAVXFQQSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C[NH2+]1 ZINC001576665876 993385680 /nfs/dbraw/zinc/38/56/80/993385680.db2.gz HUBWMKWISOSCRF-IKOXMDCHSA-N 2 1 237.391 1.057 20 0 BDADMP COc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC000381345022 993388259 /nfs/dbraw/zinc/38/82/59/993388259.db2.gz LJMVNBHYFPQTJQ-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP COc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC000381345022 993388266 /nfs/dbraw/zinc/38/82/66/993388266.db2.gz LJMVNBHYFPQTJQ-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC001576729152 993404513 /nfs/dbraw/zinc/40/45/13/993404513.db2.gz DUTDNXJLDQDUFZ-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC001576729685 993407480 /nfs/dbraw/zinc/40/74/80/993407480.db2.gz VZVYCZBQXICMQA-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC001576729538 993409017 /nfs/dbraw/zinc/40/90/17/993409017.db2.gz QEDCICAIHADYSM-WYTNZGFTSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCC1=O ZINC001576807227 993427283 /nfs/dbraw/zinc/42/72/83/993427283.db2.gz OIVUIRIFILALMQ-GARJFASQSA-N 2 1 210.321 1.025 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[NH2+]C[C@H](C)C1 ZINC001576849069 993432327 /nfs/dbraw/zinc/43/23/27/993432327.db2.gz BCXWWMUHIIJHLE-FRRDWIJNSA-N 2 1 227.396 1.303 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCC2CSC2)C1 ZINC001576850580 993434014 /nfs/dbraw/zinc/43/40/14/993434014.db2.gz UIUIURXMNSLLDP-KOLCDFICSA-N 2 1 214.378 1.327 20 0 BDADMP C[C@H]1Cc2cc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2O1 ZINC001576861746 993438482 /nfs/dbraw/zinc/43/84/82/993438482.db2.gz GLHLYXCTBWYMPJ-GCVYGYKWSA-N 2 1 244.338 1.317 20 0 BDADMP CC[C@](C)(C[NH2+][C@H]1CC[NH2+][C@@H]1C)OC ZINC001576949908 993464596 /nfs/dbraw/zinc/46/45/96/993464596.db2.gz VIUBPYVGFPHKFB-OUAUKWLOSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@@](C)(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576949158 993465535 /nfs/dbraw/zinc/46/55/35/993465535.db2.gz FANWBYWPCSWIIB-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@](C)(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)OC ZINC001576949158 993465539 /nfs/dbraw/zinc/46/55/39/993465539.db2.gz FANWBYWPCSWIIB-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001576959317 993466620 /nfs/dbraw/zinc/46/66/20/993466620.db2.gz FFHIQPYUUVOWPX-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@H+](C)C1(C[NH3+])CCC1)OC ZINC001576960461 993466703 /nfs/dbraw/zinc/46/67/03/993466703.db2.gz DSABLPTUQOXCSN-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@@H+](C)C1(C[NH3+])CCC1)OC ZINC001576960461 993466708 /nfs/dbraw/zinc/46/67/08/993466708.db2.gz DSABLPTUQOXCSN-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP CCC(CC)(C[NH3+])C[N@@H+](C)CCCC(=O)NC ZINC001577051759 993489701 /nfs/dbraw/zinc/48/97/01/993489701.db2.gz ZMZUIDPCFUPXKT-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC ZINC001577089094 993493755 /nfs/dbraw/zinc/49/37/55/993493755.db2.gz JYAITAJTBGUJHC-QJPTWQEYSA-N 2 1 242.363 1.306 20 0 BDADMP CC(C)C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000383591682 993503260 /nfs/dbraw/zinc/50/32/60/993503260.db2.gz OADLTHNJAAGVCQ-AWEZNQCLSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000383591682 993503275 /nfs/dbraw/zinc/50/32/75/993503275.db2.gz OADLTHNJAAGVCQ-AWEZNQCLSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000383591682 993503285 /nfs/dbraw/zinc/50/32/85/993503285.db2.gz OADLTHNJAAGVCQ-AWEZNQCLSA-N 2 1 242.407 1.808 20 0 BDADMP Cc1nc2c(n1[C@H]1CCC[N@H+](C)C1)C[NH2+]CC2 ZINC000383941435 993532661 /nfs/dbraw/zinc/53/26/61/993532661.db2.gz VFGJAEBAMIHEKR-NSHDSACASA-N 2 1 234.347 1.104 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+](CCCCCC[NH3+])C1 ZINC001577221175 993549143 /nfs/dbraw/zinc/54/91/43/993549143.db2.gz YDWJTRKILVDPEM-CQSZACIVSA-N 2 1 242.407 1.990 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+](CCCCCC[NH3+])C1 ZINC001577221174 993550998 /nfs/dbraw/zinc/55/09/98/993550998.db2.gz YDWJTRKILVDPEM-AWEZNQCLSA-N 2 1 242.407 1.990 20 0 BDADMP CCC[C@@]1(C)CCC[N@@H+](C[C@H](O)C[NH2+]C)C1 ZINC001577371655 993628085 /nfs/dbraw/zinc/62/80/85/993628085.db2.gz GCBUIPSIXSGSBR-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001577401008 993645537 /nfs/dbraw/zinc/64/55/37/993645537.db2.gz UCGXZDSPRSZEHD-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001577445147 993663087 /nfs/dbraw/zinc/66/30/87/993663087.db2.gz JQPSJWYJVKUXSS-RDBSUJKOSA-N 3 1 241.423 1.824 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001577445147 993663094 /nfs/dbraw/zinc/66/30/94/993663094.db2.gz JQPSJWYJVKUXSS-RDBSUJKOSA-N 3 1 241.423 1.824 20 0 BDADMP CCCC[N@@H+]1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001577458045 993667331 /nfs/dbraw/zinc/66/73/31/993667331.db2.gz QBYIERUOFIJBIQ-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[N@H+]1C[C@H](C)O[C@]2(CC[NH2+]C2)C1 ZINC001577458045 993667333 /nfs/dbraw/zinc/66/73/33/993667333.db2.gz QBYIERUOFIJBIQ-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001577510511 993675236 /nfs/dbraw/zinc/67/52/36/993675236.db2.gz QHGJQGFXTNTCLA-IHRRRGAJSA-N 2 1 241.423 1.837 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC001577510198 993676802 /nfs/dbraw/zinc/67/68/02/993676802.db2.gz FEBYHMZTSOSGAK-NEPJUHHUSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC001577510201 993677641 /nfs/dbraw/zinc/67/76/41/993677641.db2.gz FEBYHMZTSOSGAK-VXGBXAGGSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[C@@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)C(=O)OC ZINC001577600966 993693826 /nfs/dbraw/zinc/69/38/26/993693826.db2.gz XGDAXXXXTIMEPS-SDDRHHMPSA-N 2 1 242.363 1.306 20 0 BDADMP CCN(C)[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001577655146 993706885 /nfs/dbraw/zinc/70/68/85/993706885.db2.gz SLWBYHGCRTXMMH-XQQFMLRXSA-N 2 1 225.380 1.140 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(C[C@H](C[NH3+])C(C)C)C1 ZINC001577654371 993710579 /nfs/dbraw/zinc/71/05/79/993710579.db2.gz BURBCMQXETWICV-QWHCGFSZSA-N 2 1 227.396 1.243 20 0 BDADMP CCN(C)[C@@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001577654371 993710587 /nfs/dbraw/zinc/71/05/87/993710587.db2.gz BURBCMQXETWICV-QWHCGFSZSA-N 2 1 227.396 1.243 20 0 BDADMP CCN(C)[C@@H]1CC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 ZINC001577654371 993710597 /nfs/dbraw/zinc/71/05/97/993710597.db2.gz BURBCMQXETWICV-QWHCGFSZSA-N 2 1 227.396 1.243 20 0 BDADMP CCC(CC)[N@@H+](C)C[C@@H](O)C[NH+](CC)CC ZINC000390459009 993786388 /nfs/dbraw/zinc/78/63/88/993786388.db2.gz BGGVNDCNZDVIOE-CYBMUJFWSA-N 2 1 230.396 1.810 20 0 BDADMP CC(C)O[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658426 993897037 /nfs/dbraw/zinc/89/70/37/993897037.db2.gz RXAVVATYAOYZHH-AGIUHOORSA-N 2 1 226.364 1.626 20 0 BDADMP CCCO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000701718149 993904798 /nfs/dbraw/zinc/90/47/98/993904798.db2.gz DYYSIUSOYBTXDH-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](F)C2)CC[NH2+]1 ZINC000701898404 993937950 /nfs/dbraw/zinc/93/79/50/993937950.db2.gz ZTXFEWLAVMBTLS-OUAUKWLOSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](F)C2)CC[NH2+]1 ZINC000701898404 993937960 /nfs/dbraw/zinc/93/79/60/993937960.db2.gz ZTXFEWLAVMBTLS-OUAUKWLOSA-N 2 1 200.301 1.561 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC(F)(F)CC1 ZINC000702798017 994047360 /nfs/dbraw/zinc/04/73/60/994047360.db2.gz PSULOVPQYYJGIQ-UHFFFAOYSA-N 2 1 206.280 1.847 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000724416768 994065930 /nfs/dbraw/zinc/06/59/30/994065930.db2.gz FSUDNMPIUBBNSO-PDWCTOEPSA-N 2 1 240.391 1.717 20 0 BDADMP CCC[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001280857863 994136919 /nfs/dbraw/zinc/13/69/19/994136919.db2.gz WNQIGVWSPFWUAI-UHFFFAOYSA-N 2 1 243.395 1.128 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC001336738979 995090969 /nfs/dbraw/zinc/09/09/69/995090969.db2.gz KGHIFOTVPHCSAQ-OCCSQVGLSA-N 2 1 249.358 1.046 20 0 BDADMP C[N@H+]1CCCC[C@H](CNc2nccnc2C[NH3+])C1 ZINC001337238183 995153711 /nfs/dbraw/zinc/15/37/11/995153711.db2.gz WGUMWCMPHVELFK-LLVKDONJSA-N 2 1 249.362 1.079 20 0 BDADMP [NH3+]Cc1ccc(NC(=O)CC(F)(F)C[NH3+])cc1 ZINC000569617175 322987093 /nfs/dbraw/zinc/98/70/93/322987093.db2.gz PKCXXYWSATWBKB-UHFFFAOYSA-N 2 1 243.257 1.068 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000062980260 349503527 /nfs/dbraw/zinc/50/35/27/349503527.db2.gz CHQPMFGHTGKRET-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000228474641 178008793 /nfs/dbraw/zinc/00/87/93/178008793.db2.gz QFHPTXPZFMQHIQ-CYZMBNFOSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000228474641 178008796 /nfs/dbraw/zinc/00/87/96/178008796.db2.gz QFHPTXPZFMQHIQ-CYZMBNFOSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000335884691 136214937 /nfs/dbraw/zinc/21/49/37/136214937.db2.gz QZPVYYYAALJIGX-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000335884691 136214938 /nfs/dbraw/zinc/21/49/38/136214938.db2.gz QZPVYYYAALJIGX-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)on1 ZINC000367605566 178032682 /nfs/dbraw/zinc/03/26/82/178032682.db2.gz HGHRJPAZADTSJL-MCIONIFRSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)on1 ZINC000367605566 178032686 /nfs/dbraw/zinc/03/26/86/178032686.db2.gz HGHRJPAZADTSJL-MCIONIFRSA-N 2 1 249.358 1.945 20 0 BDADMP C[NH2+]CCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424291354 398180851 /nfs/dbraw/zinc/18/08/51/398180851.db2.gz NPKUSDJMMKXRGV-LBPRGKRZSA-N 3 1 225.380 1.060 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3cn[nH]c3)C[C@@H]21 ZINC000379746315 398163883 /nfs/dbraw/zinc/16/38/83/398163883.db2.gz BWXGSPNMMFCIMZ-FRRDWIJNSA-N 2 1 234.347 1.011 20 0 BDADMP Cc1cc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc[nH+]1 ZINC000336745731 398186053 /nfs/dbraw/zinc/18/60/53/398186053.db2.gz QWEVWPKSGOUKLH-WCQYABFASA-N 2 1 219.332 1.707 20 0 BDADMP CC[N@H+](CCC[NH2+]C)CCC(F)(F)F ZINC000380171596 398189754 /nfs/dbraw/zinc/18/97/54/398189754.db2.gz HLNDUQXKBLOMEO-UHFFFAOYSA-N 2 1 212.259 1.870 20 0 BDADMP CC[N@@H+](CCC[NH2+]C)CCC(F)(F)F ZINC000380171596 398189756 /nfs/dbraw/zinc/18/97/56/398189756.db2.gz HLNDUQXKBLOMEO-UHFFFAOYSA-N 2 1 212.259 1.870 20 0 BDADMP CN(c1cc[nH+]cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000086839894 398192043 /nfs/dbraw/zinc/19/20/43/398192043.db2.gz WHBUFQZCTFIFQO-MRVPVSSYSA-N 2 1 211.696 1.533 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CC[N@H+]1C ZINC000385933739 398192468 /nfs/dbraw/zinc/19/24/68/398192468.db2.gz VEKVLMDVKBALBL-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000228164611 178117941 /nfs/dbraw/zinc/11/79/41/178117941.db2.gz FBWFWLFFJSPHNI-GXSJLCMTSA-N 2 1 220.320 1.267 20 0 BDADMP Cc1cc(N2CC[C@@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC000235851913 178118313 /nfs/dbraw/zinc/11/83/13/178118313.db2.gz SFYFDVGVXCSKQZ-LBPRGKRZSA-N 2 1 220.320 1.269 20 0 BDADMP Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(C)[nH+]1 ZINC000301458694 178119045 /nfs/dbraw/zinc/11/90/45/178119045.db2.gz NKVHJFLRZCFRDM-ZDUSSCGKSA-N 2 1 244.342 1.544 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCOC1 ZINC000069720630 398213535 /nfs/dbraw/zinc/21/35/35/398213535.db2.gz BIPLKOCMJCGGSZ-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H](c1cccnc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000649415976 398216173 /nfs/dbraw/zinc/21/61/73/398216173.db2.gz FPEDUBWENZOQGO-NSHDSACASA-N 2 1 219.332 1.956 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000386700751 398217061 /nfs/dbraw/zinc/21/70/61/398217061.db2.gz QIQOILHSNHJIDY-UHTWSYAYSA-N 2 1 247.342 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000386700751 398217065 /nfs/dbraw/zinc/21/70/65/398217065.db2.gz QIQOILHSNHJIDY-UHTWSYAYSA-N 2 1 247.342 1.259 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cn[nH]c1 ZINC000649413508 398211803 /nfs/dbraw/zinc/21/18/03/398211803.db2.gz BBTJBFYWOAGDOQ-UHFFFAOYSA-N 2 1 236.363 1.621 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000649413766 398211998 /nfs/dbraw/zinc/21/19/98/398211998.db2.gz CIFQNMYLGDLRMB-MJBXVCDLSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1cc(NCC[N@@H+]2CCOC(C)(C)C2)cc[nH+]1 ZINC000274850196 178161896 /nfs/dbraw/zinc/16/18/96/178161896.db2.gz XUYCWIWXDLWIBC-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)cc[nH+]1 ZINC000274850196 178161898 /nfs/dbraw/zinc/16/18/98/178161898.db2.gz XUYCWIWXDLWIBC-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000649413773 398212043 /nfs/dbraw/zinc/21/20/43/398212043.db2.gz CNNHBELQXNEWFO-IHRRRGAJSA-N 2 1 239.407 1.258 20 0 BDADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649414343 398212851 /nfs/dbraw/zinc/21/28/51/398212851.db2.gz UIUCTOAAUVBHHG-OCCSQVGLSA-N 2 1 248.374 1.475 20 0 BDADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCC[NH3+] ZINC000649414142 398213068 /nfs/dbraw/zinc/21/30/68/398213068.db2.gz IZDUUNLIEOIFSB-LBPRGKRZSA-N 2 1 222.336 1.214 20 0 BDADMP Cc1cc(NC[C@]2(C)CCC[NH2+]C2)nc(C)[nH+]1 ZINC000129389397 178169991 /nfs/dbraw/zinc/16/99/91/178169991.db2.gz TYGMAHKTNQJAPR-CYBMUJFWSA-N 2 1 234.347 1.895 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000386792046 398220496 /nfs/dbraw/zinc/22/04/96/398220496.db2.gz OLMNVACCDIRANX-CYBMUJFWSA-N 2 1 236.363 1.171 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000070169315 398221659 /nfs/dbraw/zinc/22/16/59/398221659.db2.gz KABUMQJRLSROOT-GFCCVEGCSA-N 2 1 234.343 1.953 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)nn1C ZINC000282480881 178221701 /nfs/dbraw/zinc/22/17/01/178221701.db2.gz HCDFOGMIWVLNDY-GFCCVEGCSA-N 2 1 248.374 1.641 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)nn1C ZINC000282480881 178221703 /nfs/dbraw/zinc/22/17/03/178221703.db2.gz HCDFOGMIWVLNDY-GFCCVEGCSA-N 2 1 248.374 1.641 20 0 BDADMP CCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092630157 398235831 /nfs/dbraw/zinc/23/58/31/398235831.db2.gz WIMMSFWAPMHUPL-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])[C@H](C)C(C)C ZINC000320410767 398241654 /nfs/dbraw/zinc/24/16/54/398241654.db2.gz RYRJOABBMFQLCE-LLVKDONJSA-N 2 1 202.342 1.328 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])[C@@H](C)C(C)C ZINC000320410770 398241785 /nfs/dbraw/zinc/24/17/85/398241785.db2.gz RYRJOABBMFQLCE-NSHDSACASA-N 2 1 202.342 1.328 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CC1CCCCC1 ZINC000383676527 398258589 /nfs/dbraw/zinc/25/85/89/398258589.db2.gz PMYAEIYDHKFTME-CQSZACIVSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CCCCC1 ZINC000383676527 398258592 /nfs/dbraw/zinc/25/85/92/398258592.db2.gz PMYAEIYDHKFTME-CQSZACIVSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CC1CCCCC1 ZINC000383676527 398258593 /nfs/dbraw/zinc/25/85/93/398258593.db2.gz PMYAEIYDHKFTME-CQSZACIVSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CCCCC1 ZINC000383676527 398258596 /nfs/dbraw/zinc/25/85/96/398258596.db2.gz PMYAEIYDHKFTME-CQSZACIVSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000647997418 398255350 /nfs/dbraw/zinc/25/53/50/398255350.db2.gz BLKFPIFAXHSUGM-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP Cc1[nH+]ccn1C[C@H]1CCCN1CC(F)F ZINC000178317976 538952712 /nfs/dbraw/zinc/95/27/12/538952712.db2.gz GNDHRSWGBWMUSV-SNVBAGLBSA-N 2 1 229.274 1.921 20 0 BDADMP Cc1[nH]ncc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000038011317 538964866 /nfs/dbraw/zinc/96/48/66/538964866.db2.gz RFWLGIRCSNUTLM-JTQLQIEISA-N 2 1 236.363 1.538 20 0 BDADMP CCC(CC)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000110758009 168387992 /nfs/dbraw/zinc/38/79/92/168387992.db2.gz UGCDYCAQWBAMDV-UHFFFAOYSA-N 2 1 241.423 1.791 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1CC(CC)(CC)C1 ZINC000309710177 342794317 /nfs/dbraw/zinc/79/43/17/342794317.db2.gz JQDWFAFZDZOKIL-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCOC1 ZINC000166160798 398288197 /nfs/dbraw/zinc/28/81/97/398288197.db2.gz RZJHVOKIWDMQHS-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]Cc1ccn[nH]1)C1CC[NH+](C)CC1 ZINC000041014955 538973843 /nfs/dbraw/zinc/97/38/43/538973843.db2.gz OODFARVKYIBBPK-SNVBAGLBSA-N 2 1 222.336 1.230 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000335634076 136241522 /nfs/dbraw/zinc/24/15/22/136241522.db2.gz MBAJEZLMRACDHQ-KBPBESRZSA-N 2 1 248.374 1.242 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000392184292 539027901 /nfs/dbraw/zinc/02/79/01/539027901.db2.gz BTGSMQQEXPPXEV-KBPBESRZSA-N 2 1 238.375 1.796 20 0 BDADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000167202932 136244757 /nfs/dbraw/zinc/24/47/57/136244757.db2.gz YGLKODRVZILGKG-NEPJUHHUSA-N 2 1 243.395 1.206 20 0 BDADMP C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000035112449 342883758 /nfs/dbraw/zinc/88/37/58/342883758.db2.gz QNJUEVAGBKZTBA-ZDUSSCGKSA-N 2 1 248.370 1.621 20 0 BDADMP CC[C@H]1COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000036326918 342908869 /nfs/dbraw/zinc/90/88/69/342908869.db2.gz YIHJQWNZGDKLNT-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H]1COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000036326918 342908870 /nfs/dbraw/zinc/90/88/70/342908870.db2.gz YIHJQWNZGDKLNT-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C[C@@H]1CCSC1 ZINC000401718458 342915063 /nfs/dbraw/zinc/91/50/63/342915063.db2.gz MMQJNQCFAMBWPB-JTQLQIEISA-N 2 1 225.361 1.305 20 0 BDADMP CC[C@]1(O)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000495259539 529441910 /nfs/dbraw/zinc/44/19/10/529441910.db2.gz APGXOXLCYNSNJG-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(O)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000495259539 529441912 /nfs/dbraw/zinc/44/19/12/529441912.db2.gz APGXOXLCYNSNJG-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(O)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000495259539 529441913 /nfs/dbraw/zinc/44/19/13/529441913.db2.gz APGXOXLCYNSNJG-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918197 398335289 /nfs/dbraw/zinc/33/52/89/398335289.db2.gz PATZABMBWIVXPY-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000335424774 398341352 /nfs/dbraw/zinc/34/13/52/398341352.db2.gz IMZBHIPUXYWQGA-CMPLNLGQSA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)C[C@@H](C)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313354099 259334089 /nfs/dbraw/zinc/33/40/89/259334089.db2.gz QARRZMCEJUKDFR-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCC12CCOCC2 ZINC000580541145 365691134 /nfs/dbraw/zinc/69/11/34/365691134.db2.gz CGAZCKJMSJJIFF-QWHCGFSZSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncc[nH]1 ZINC000453391714 488190564 /nfs/dbraw/zinc/19/05/64/488190564.db2.gz DZSRNBWSOUUJKA-LLVKDONJSA-N 2 1 236.363 1.935 20 0 BDADMP CCC(CC)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313389019 259334416 /nfs/dbraw/zinc/33/44/16/259334416.db2.gz MCNBPFRRSOIPQN-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](CCc2ccccc2)CCCO1 ZINC000313389053 259334443 /nfs/dbraw/zinc/33/44/43/259334443.db2.gz MHHBMZKJDKLKEQ-CQSZACIVSA-N 2 1 234.343 1.279 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccccc2)CCCO1 ZINC000313389053 259334445 /nfs/dbraw/zinc/33/44/45/259334445.db2.gz MHHBMZKJDKLKEQ-CQSZACIVSA-N 2 1 234.343 1.279 20 0 BDADMP CC[N@@H+]1CCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000309976932 343124238 /nfs/dbraw/zinc/12/42/38/343124238.db2.gz UCESTZQMBBOTJC-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000309976932 343124241 /nfs/dbraw/zinc/12/42/41/343124241.db2.gz UCESTZQMBBOTJC-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251918584 343125679 /nfs/dbraw/zinc/12/56/79/343125679.db2.gz YIHJQWNZGDKLNT-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251918584 343125680 /nfs/dbraw/zinc/12/56/80/343125680.db2.gz YIHJQWNZGDKLNT-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133618353 343185328 /nfs/dbraw/zinc/18/53/28/343185328.db2.gz IDNHWHDNKHABDE-GXSJLCMTSA-N 2 1 239.388 1.806 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000308885367 346929596 /nfs/dbraw/zinc/92/95/96/346929596.db2.gz WSCFQUHJSCVBQQ-PWSUYJOCSA-N 2 1 228.405 1.812 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000308885370 346929677 /nfs/dbraw/zinc/92/96/77/346929677.db2.gz WSCFQUHJSCVBQQ-ZYHUDNBSSA-N 2 1 228.405 1.812 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCOC1 ZINC000159810752 343202869 /nfs/dbraw/zinc/20/28/69/343202869.db2.gz VKZKCAZMCBZNDK-OAHLLOKOSA-N 2 1 246.354 1.553 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCOC1 ZINC000159810872 343203030 /nfs/dbraw/zinc/20/30/30/343203030.db2.gz VKZKCAZMCBZNDK-HNNXBMFYSA-N 2 1 246.354 1.553 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000311235433 136275688 /nfs/dbraw/zinc/27/56/88/136275688.db2.gz VTHGMICUBANYLC-OKILXGFUSA-N 2 1 248.374 1.123 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1F ZINC000082503742 136276711 /nfs/dbraw/zinc/27/67/11/136276711.db2.gz KMRZRFRSYGUAAS-GFCCVEGCSA-N 2 1 222.307 1.915 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000134388834 343194256 /nfs/dbraw/zinc/19/42/56/343194256.db2.gz PEVNENPVNFGETM-RWMBFGLXSA-N 2 1 226.364 1.484 20 0 BDADMP COCC[N@@H+](CCCc1cncn1C)C1CC1 ZINC000569738788 323039302 /nfs/dbraw/zinc/03/93/02/323039302.db2.gz ZQAWXWMLCODNIJ-UHFFFAOYSA-N 2 1 237.347 1.464 20 0 BDADMP COCC[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000569738788 323039303 /nfs/dbraw/zinc/03/93/03/323039303.db2.gz ZQAWXWMLCODNIJ-UHFFFAOYSA-N 2 1 237.347 1.464 20 0 BDADMP COCC[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000569738788 323039304 /nfs/dbraw/zinc/03/93/04/323039304.db2.gz ZQAWXWMLCODNIJ-UHFFFAOYSA-N 2 1 237.347 1.464 20 0 BDADMP Cn1nccc1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634688218 343246613 /nfs/dbraw/zinc/24/66/13/343246613.db2.gz LXTCJAZCUZWJPB-CQSZACIVSA-N 2 1 248.374 1.038 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000634688262 343246654 /nfs/dbraw/zinc/24/66/54/343246654.db2.gz NHPGFJLJHNTELA-YPMHNXCESA-N 2 1 230.396 1.571 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)O1 ZINC000634688493 343247929 /nfs/dbraw/zinc/24/79/29/343247929.db2.gz UMMMRWYGDUSARF-OUAUKWLOSA-N 2 1 214.353 1.517 20 0 BDADMP C(CC1CC[NH2+]CC1)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688591 343249056 /nfs/dbraw/zinc/24/90/56/343249056.db2.gz XDTZKRFQRZHOJZ-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP Cc1[nH+]ccn1CCCN1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000348756155 136297459 /nfs/dbraw/zinc/29/74/59/136297459.db2.gz MLJCDHFRWXQENO-RYUDHWBXSA-N 2 1 236.363 1.264 20 0 BDADMP Cc1nccn1CCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000348754940 136297604 /nfs/dbraw/zinc/29/76/04/136297604.db2.gz DTPNKGQRFFTKLJ-DGCLKSJQSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000348754940 136297605 /nfs/dbraw/zinc/29/76/05/136297605.db2.gz DTPNKGQRFFTKLJ-DGCLKSJQSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000348754940 136297606 /nfs/dbraw/zinc/29/76/06/136297606.db2.gz DTPNKGQRFFTKLJ-DGCLKSJQSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C[NH3+])CC1 ZINC000348755028 136297631 /nfs/dbraw/zinc/29/76/31/136297631.db2.gz DYHHXXVBSPNWGN-UHFFFAOYSA-N 3 1 236.363 1.252 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000070624130 343335874 /nfs/dbraw/zinc/33/58/74/343335874.db2.gz MLBRZJPXVLNBRW-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C1CSC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000335643554 136303964 /nfs/dbraw/zinc/30/39/64/136303964.db2.gz PIFBTMCAPZSKOQ-WDEREUQCSA-N 2 1 214.378 1.614 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC000335641616 136308599 /nfs/dbraw/zinc/30/85/99/136308599.db2.gz URDMUCJGSNOPCF-RYUDHWBXSA-N 2 1 219.332 1.620 20 0 BDADMP C[N@H+]1CCCC12CCN(C[C@@H]1CCOC1)CC2 ZINC000335737081 136350782 /nfs/dbraw/zinc/35/07/82/136350782.db2.gz QICJDYLGMCYZEV-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000335737081 136350783 /nfs/dbraw/zinc/35/07/83/136350783.db2.gz QICJDYLGMCYZEV-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000335737081 136350784 /nfs/dbraw/zinc/35/07/84/136350784.db2.gz QICJDYLGMCYZEV-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349335240 136341985 /nfs/dbraw/zinc/34/19/85/136341985.db2.gz UIMYUCNJISLLNC-KGLIPLIRSA-N 2 1 239.407 1.212 20 0 BDADMP Cc1nccn1CC[N@H+]1CCC2(C1)CCOCC2 ZINC000335845058 136355044 /nfs/dbraw/zinc/35/50/44/136355044.db2.gz KOTFRSVKMDNBPD-UHFFFAOYSA-N 2 1 249.358 1.694 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594543 343450768 /nfs/dbraw/zinc/45/07/68/343450768.db2.gz RZYGWWDZCNUSJS-LBPRGKRZSA-N 2 1 214.353 1.615 20 0 BDADMP CN(C)c1nc(NCC[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000166845579 136364241 /nfs/dbraw/zinc/36/42/41/136364241.db2.gz ATPVJWNKMBRYDV-SNVBAGLBSA-N 2 1 235.335 1.097 20 0 BDADMP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCOC3)CC[N@H+]2C1 ZINC000130215259 136372576 /nfs/dbraw/zinc/37/25/76/136372576.db2.gz VPEYVKXRBBRSTR-XQQFMLRXSA-N 2 1 224.348 1.382 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000310566401 343537809 /nfs/dbraw/zinc/53/78/09/343537809.db2.gz XSCLNBFGLDAROF-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC(C)(C)CC1 ZINC000310566401 343537813 /nfs/dbraw/zinc/53/78/13/343537813.db2.gz XSCLNBFGLDAROF-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000070987606 343583694 /nfs/dbraw/zinc/58/36/94/343583694.db2.gz RPWCLJOBCRKWHJ-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000070987606 343583696 /nfs/dbraw/zinc/58/36/96/343583696.db2.gz RPWCLJOBCRKWHJ-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](O)C(C)(C)[NH2+]CC[NH2+]C(C)(C)C ZINC000230976738 343586458 /nfs/dbraw/zinc/58/64/58/343586458.db2.gz NKADCEOORRLKPZ-SECBINFHSA-N 2 1 202.342 1.124 20 0 BDADMP CCn1ccnc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000580564399 365781876 /nfs/dbraw/zinc/78/18/76/365781876.db2.gz XQSQKHFDNFUMLO-NXEZZACHSA-N 2 1 210.325 1.118 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2ccc(C)nc2)CC1 ZINC000062051111 343732575 /nfs/dbraw/zinc/73/25/75/343732575.db2.gz NRWDVLXZZSRTJK-UHFFFAOYSA-N 2 1 233.359 1.964 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000401868309 343917196 /nfs/dbraw/zinc/91/71/96/343917196.db2.gz JBQOCLSLAZWZJB-ZSBIGDGJSA-N 2 1 237.347 1.508 20 0 BDADMP C[C@]1(C[N@@H+]2CCO[C@@H](C(F)F)CC2)CC[NH2+]C1 ZINC000634732369 344106889 /nfs/dbraw/zinc/10/68/89/344106889.db2.gz DUAYGUIMOVOFFG-PWSUYJOCSA-N 2 1 248.317 1.342 20 0 BDADMP C[C@]1(C[N@H+]2CCO[C@@H](C(F)F)CC2)CC[NH2+]C1 ZINC000634732369 344106891 /nfs/dbraw/zinc/10/68/91/344106891.db2.gz DUAYGUIMOVOFFG-PWSUYJOCSA-N 2 1 248.317 1.342 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC[NH2+]1 ZINC000622004226 344181756 /nfs/dbraw/zinc/18/17/56/344181756.db2.gz MCEAGRRZZKZLQH-SYQHCUMBSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@]3(N)C2)CC[NH2+]1 ZINC000622004226 344181759 /nfs/dbraw/zinc/18/17/59/344181759.db2.gz MCEAGRRZZKZLQH-SYQHCUMBSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@]3(N)C2)CC[NH2+]1 ZINC000622004226 344181762 /nfs/dbraw/zinc/18/17/62/344181762.db2.gz MCEAGRRZZKZLQH-SYQHCUMBSA-N 2 1 237.391 1.188 20 0 BDADMP CC[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1O ZINC000400032225 344238282 /nfs/dbraw/zinc/23/82/82/344238282.db2.gz IYZICOBISJWXDT-WCQYABFASA-N 2 1 237.347 1.055 20 0 BDADMP CC[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1O ZINC000400032225 344238284 /nfs/dbraw/zinc/23/82/84/344238284.db2.gz IYZICOBISJWXDT-WCQYABFASA-N 2 1 237.347 1.055 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000600699735 344359792 /nfs/dbraw/zinc/35/97/92/344359792.db2.gz CQNIZDPWNRHACN-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCC(=O)OC)C1 ZINC000600700653 344359936 /nfs/dbraw/zinc/35/99/36/344359936.db2.gz DOCIJYCCAYWIQJ-GFCCVEGCSA-N 2 1 242.363 1.261 20 0 BDADMP COC(=O)CCCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000600707053 344360448 /nfs/dbraw/zinc/36/04/48/344360448.db2.gz XGPJKMLQHYBUQA-GFCCVEGCSA-N 2 1 244.379 1.635 20 0 BDADMP COC(=O)CCCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000600711897 344361649 /nfs/dbraw/zinc/36/16/49/344361649.db2.gz UEYXZMUFHIQNKJ-DMDPSCGWSA-N 2 1 242.363 1.306 20 0 BDADMP COC(=O)CCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000600711899 344361836 /nfs/dbraw/zinc/36/18/36/344361836.db2.gz UEYXZMUFHIQNKJ-NQBHXWOUSA-N 2 1 242.363 1.306 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000600775386 344370902 /nfs/dbraw/zinc/37/09/02/344370902.db2.gz NNBKZDVJLRXERT-QWRGUYRKSA-N 2 1 242.363 1.306 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000385194496 344371360 /nfs/dbraw/zinc/37/13/60/344371360.db2.gz OBMZDQKEMXVHKT-UTLUCORTSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000385194496 344371365 /nfs/dbraw/zinc/37/13/65/344371365.db2.gz OBMZDQKEMXVHKT-UTLUCORTSA-N 2 1 218.291 1.843 20 0 BDADMP Cc1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000385273074 344385963 /nfs/dbraw/zinc/38/59/63/344385963.db2.gz TVUBWGIRHRFBBF-DGCLKSJQSA-N 2 1 204.317 1.917 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000385273074 344385965 /nfs/dbraw/zinc/38/59/65/344385965.db2.gz TVUBWGIRHRFBBF-DGCLKSJQSA-N 2 1 204.317 1.917 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000336778926 537852833 /nfs/dbraw/zinc/85/28/33/537852833.db2.gz MSBGPXVBTLHSSC-AGIUHOORSA-N 2 1 227.396 1.256 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000158337487 344604079 /nfs/dbraw/zinc/60/40/79/344604079.db2.gz ZTARFLDYVOHEEG-JQWIXIFHSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000158337487 344604081 /nfs/dbraw/zinc/60/40/81/344604081.db2.gz ZTARFLDYVOHEEG-JQWIXIFHSA-N 2 1 235.331 1.259 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336778929 537851638 /nfs/dbraw/zinc/85/16/38/537851638.db2.gz MSBGPXVBTLHSSC-RWMBFGLXSA-N 2 1 227.396 1.256 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449521619 344766704 /nfs/dbraw/zinc/76/67/04/344766704.db2.gz IZLQCRPEUYXUOL-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860140 344786185 /nfs/dbraw/zinc/78/61/85/344786185.db2.gz WRPDQJBPIOBNDP-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860140 344786186 /nfs/dbraw/zinc/78/61/86/344786186.db2.gz WRPDQJBPIOBNDP-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000050403604 344818019 /nfs/dbraw/zinc/81/80/19/344818019.db2.gz LELKNFUWQFFUAA-WDEREUQCSA-N 2 1 202.342 1.077 20 0 BDADMP Cc1c[nH]c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000628163462 344866837 /nfs/dbraw/zinc/86/68/37/344866837.db2.gz DAICPHXCDSNDFO-GFCCVEGCSA-N 2 1 234.347 1.387 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCSC1 ZINC000224621405 344957094 /nfs/dbraw/zinc/95/70/94/344957094.db2.gz GQOMWEAJSGZPQZ-VWYCJHECSA-N 2 1 214.378 1.551 20 0 BDADMP c1[nH]nc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c12 ZINC000628191542 344945759 /nfs/dbraw/zinc/94/57/59/344945759.db2.gz NYWCAPDFLXSNBA-TXEJJXNPSA-N 2 1 242.326 1.214 20 0 BDADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC12CC(C1)C[NH2+]2 ZINC000634993346 345189559 /nfs/dbraw/zinc/18/95/59/345189559.db2.gz RHNZLXNMVUBQFT-FUUBYGMNSA-N 2 1 249.402 1.297 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000634990852 345173222 /nfs/dbraw/zinc/17/32/22/345173222.db2.gz FXEHWSQIOOMNSO-AGIUHOORSA-N 3 1 227.396 1.277 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000634990852 345173224 /nfs/dbraw/zinc/17/32/24/345173224.db2.gz FXEHWSQIOOMNSO-AGIUHOORSA-N 3 1 227.396 1.277 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995923 345186082 /nfs/dbraw/zinc/18/60/82/345186082.db2.gz TVZHQCIXJCLNPD-YXMLORGKSA-N 2 1 226.364 1.125 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156146100 345128301 /nfs/dbraw/zinc/12/83/01/345128301.db2.gz LRJTWZTUJXHHKO-UPJWGTAASA-N 2 1 226.364 1.220 20 0 BDADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)COC1 ZINC000156152699 345133339 /nfs/dbraw/zinc/13/33/39/345133339.db2.gz VRVOXQQZVTXNRN-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP N[C@H]1CCCCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000634997239 345194665 /nfs/dbraw/zinc/19/46/65/345194665.db2.gz HCSCIENYFDUTFC-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635003469 345206271 /nfs/dbraw/zinc/20/62/71/345206271.db2.gz JWDQIMVGSMQFTE-LSDHHAIUSA-N 3 1 245.370 1.302 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000635003519 345206312 /nfs/dbraw/zinc/20/63/12/345206312.db2.gz DNZAVBPGNZRGEJ-MOLYVOAJSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005093 345209167 /nfs/dbraw/zinc/20/91/67/345209167.db2.gz MBSJGRGYVAYKSC-CYDGBPFRSA-N 3 1 225.380 1.092 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635012515 345214421 /nfs/dbraw/zinc/21/44/21/345214421.db2.gz MUUZYTPJYHFCSS-HUUCEWRRSA-N 2 1 246.354 1.729 20 0 BDADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635012286 345214718 /nfs/dbraw/zinc/21/47/18/345214718.db2.gz LBUMMXDSLZLFQN-HNGCFSAESA-N 2 1 246.358 1.591 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000335353247 345290009 /nfs/dbraw/zinc/29/00/09/345290009.db2.gz BVBZAQSSOQKNGJ-GFCCVEGCSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)C ZINC000151373121 345340292 /nfs/dbraw/zinc/34/02/92/345340292.db2.gz KESPXCFXAJWEKY-CQSZACIVSA-N 2 1 242.407 1.857 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2cnccc2C)CC1 ZINC000135454971 345442160 /nfs/dbraw/zinc/44/21/60/345442160.db2.gz ZPGZPVHRAJBGHP-UHFFFAOYSA-N 2 1 233.359 1.964 20 0 BDADMP COc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107573313 345539852 /nfs/dbraw/zinc/53/98/52/345539852.db2.gz FEUHXBNVWCGUCL-CHWSQXEVSA-N 2 1 232.327 1.346 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091334578 345591064 /nfs/dbraw/zinc/59/10/64/345591064.db2.gz MKCJKCOLYNMPFS-LSDHHAIUSA-N 2 1 248.370 1.650 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628210020 345810245 /nfs/dbraw/zinc/81/02/45/345810245.db2.gz DOEQXQLJQGWXLK-UHFFFAOYSA-N 2 1 246.314 1.847 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000171648603 345800053 /nfs/dbraw/zinc/80/00/53/345800053.db2.gz LHMHWZRTWXPXLA-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000171648603 345800059 /nfs/dbraw/zinc/80/00/59/345800059.db2.gz LHMHWZRTWXPXLA-LBPRGKRZSA-N 2 1 214.353 1.031 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000381474376 346025065 /nfs/dbraw/zinc/02/50/65/346025065.db2.gz NQPPLSCHZVCXIA-FRRDWIJNSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000381474376 346025066 /nfs/dbraw/zinc/02/50/66/346025066.db2.gz NQPPLSCHZVCXIA-FRRDWIJNSA-N 2 1 228.380 1.730 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000226632173 537944576 /nfs/dbraw/zinc/94/45/76/537944576.db2.gz WRGGGCRRRIEAIO-RYUDHWBXSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000226632173 537944580 /nfs/dbraw/zinc/94/45/80/537944580.db2.gz WRGGGCRRRIEAIO-RYUDHWBXSA-N 2 1 219.332 1.684 20 0 BDADMP Cc1c[nH]c(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000628240397 346202822 /nfs/dbraw/zinc/20/28/22/346202822.db2.gz CTIDPDCWUWKPPZ-MNOVXSKESA-N 2 1 222.336 1.243 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641749860 362671753 /nfs/dbraw/zinc/67/17/53/362671753.db2.gz YGVDQFAIPHEOPQ-MUBLQREKSA-N 2 1 249.358 1.564 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000380186972 346370417 /nfs/dbraw/zinc/37/04/17/346370417.db2.gz NNJFPUGTZCDHRL-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000380186972 346370420 /nfs/dbraw/zinc/37/04/20/346370420.db2.gz NNJFPUGTZCDHRL-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP Cc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000039068436 179077750 /nfs/dbraw/zinc/07/77/50/179077750.db2.gz OHRZYQKMKYPGAF-CYBMUJFWSA-N 2 1 204.317 1.918 20 0 BDADMP Cc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000039068436 179077752 /nfs/dbraw/zinc/07/77/52/179077752.db2.gz OHRZYQKMKYPGAF-CYBMUJFWSA-N 2 1 204.317 1.918 20 0 BDADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000336541723 179081684 /nfs/dbraw/zinc/08/16/84/179081684.db2.gz JPWDHTNEYQFDNM-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP C[NH+](C)CC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000170758673 346446107 /nfs/dbraw/zinc/44/61/07/346446107.db2.gz YTTWFNMPUWKHQV-UHFFFAOYSA-N 2 1 244.298 1.372 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000390464222 259389841 /nfs/dbraw/zinc/38/98/41/259389841.db2.gz HETXUOGAPBDYNE-SRVKXCTJSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000390464222 259389842 /nfs/dbraw/zinc/38/98/42/259389842.db2.gz HETXUOGAPBDYNE-SRVKXCTJSA-N 2 1 225.380 1.151 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000641801966 362757943 /nfs/dbraw/zinc/75/79/43/362757943.db2.gz WPUBRBHCJNIEAK-GHMZBOCLSA-N 2 1 239.750 1.950 20 0 BDADMP CCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)nc1 ZINC000641802114 362758232 /nfs/dbraw/zinc/75/82/32/362758232.db2.gz IDXQOXFBSRDRLB-OLZOCXBDSA-N 2 1 249.358 1.696 20 0 BDADMP CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000641802006 362758375 /nfs/dbraw/zinc/75/83/75/362758375.db2.gz XNWSHNRESAULLC-STQMWFEESA-N 2 1 239.407 1.482 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC000246245015 323128022 /nfs/dbraw/zinc/12/80/22/323128022.db2.gz SEYQZIOBZCKIPZ-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@H]1CCCC[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000394832476 323126910 /nfs/dbraw/zinc/12/69/10/323126910.db2.gz OWMHBMYXQLSWLO-XDQVBPFNSA-N 2 1 222.376 1.964 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1C ZINC000380044358 365824966 /nfs/dbraw/zinc/82/49/66/365824966.db2.gz VIWOEYCMDPOREB-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1C ZINC000380044358 365824967 /nfs/dbraw/zinc/82/49/67/365824967.db2.gz VIWOEYCMDPOREB-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000380044358 365824973 /nfs/dbraw/zinc/82/49/73/365824973.db2.gz VIWOEYCMDPOREB-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000380044358 365824979 /nfs/dbraw/zinc/82/49/79/365824979.db2.gz VIWOEYCMDPOREB-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC1(C)C ZINC000577121814 365825467 /nfs/dbraw/zinc/82/54/67/365825467.db2.gz JFWNJTVFLLINHG-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC1(C)C ZINC000577121814 365825474 /nfs/dbraw/zinc/82/54/74/365825474.db2.gz JFWNJTVFLLINHG-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000577121814 365825480 /nfs/dbraw/zinc/82/54/80/365825480.db2.gz JFWNJTVFLLINHG-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000577121814 365825488 /nfs/dbraw/zinc/82/54/88/365825488.db2.gz JFWNJTVFLLINHG-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000580714930 346653960 /nfs/dbraw/zinc/65/39/60/346653960.db2.gz PIXRIPRQULWVPM-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000580714929 346654219 /nfs/dbraw/zinc/65/42/19/346654219.db2.gz PIXRIPRQULWVPM-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000571103604 323135552 /nfs/dbraw/zinc/13/55/52/323135552.db2.gz FBJPZWLWNHAPQF-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@@H+]1C ZINC000378687114 346806313 /nfs/dbraw/zinc/80/63/13/346806313.db2.gz FSDPOVKUYFUQII-WHOHXGKFSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@H+]1C ZINC000378687114 346806315 /nfs/dbraw/zinc/80/63/15/346806315.db2.gz FSDPOVKUYFUQII-WHOHXGKFSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@@H+]1C ZINC000378687112 346806561 /nfs/dbraw/zinc/80/65/61/346806561.db2.gz FSDPOVKUYFUQII-NOOOWODRSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)CC[N@H+]1C ZINC000378687112 346806566 /nfs/dbraw/zinc/80/65/66/346806566.db2.gz FSDPOVKUYFUQII-NOOOWODRSA-N 2 1 214.328 1.949 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CCOC1)C2 ZINC000622004328 370655661 /nfs/dbraw/zinc/65/56/61/370655661.db2.gz NKUHWALLMLFBER-XQQFMLRXSA-N 2 1 224.348 1.226 20 0 BDADMP C[C@@H]1CCN(CCc2c[nH+]cn2C)[C@H](C[NH3+])C1 ZINC000641819076 362771322 /nfs/dbraw/zinc/77/13/22/362771322.db2.gz HIBIFPFQTRQUAA-YPMHNXCESA-N 2 1 236.363 1.022 20 0 BDADMP [NH3+]CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000571305884 323140893 /nfs/dbraw/zinc/14/08/93/323140893.db2.gz UTSPOYUTWOULFB-UHFFFAOYSA-N 2 1 220.316 1.241 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000310331599 347266639 /nfs/dbraw/zinc/26/66/39/347266639.db2.gz KEBUNFJGQSXZFA-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310331599 347266641 /nfs/dbraw/zinc/26/66/41/347266641.db2.gz KEBUNFJGQSXZFA-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310331599 347266643 /nfs/dbraw/zinc/26/66/43/347266643.db2.gz KEBUNFJGQSXZFA-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310331599 347266645 /nfs/dbraw/zinc/26/66/45/347266645.db2.gz KEBUNFJGQSXZFA-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310331599 347266647 /nfs/dbraw/zinc/26/66/47/347266647.db2.gz KEBUNFJGQSXZFA-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000310429545 347282949 /nfs/dbraw/zinc/28/29/49/347282949.db2.gz SJGSUOZXGQQXHS-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000310429545 347282953 /nfs/dbraw/zinc/28/29/53/347282953.db2.gz SJGSUOZXGQQXHS-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000310429545 347282957 /nfs/dbraw/zinc/28/29/57/347282957.db2.gz SJGSUOZXGQQXHS-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC[C@H](C)O ZINC000191512374 347353829 /nfs/dbraw/zinc/35/38/29/347353829.db2.gz HFDJYWHSOCTWPR-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP [NH3+]Cc1noc([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000577220429 365888288 /nfs/dbraw/zinc/88/82/88/365888288.db2.gz GUZXWXQAPAKDAS-CIUDSAMLSA-N 2 1 222.292 1.122 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccs2)CCOCC1 ZINC000149778725 347512832 /nfs/dbraw/zinc/51/28/32/347512832.db2.gz PUQBBDQCXUCRPO-UHFFFAOYSA-N 2 1 226.345 1.346 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])O1 ZINC000149763143 347514134 /nfs/dbraw/zinc/51/41/34/347514134.db2.gz CUSAWALKDKAXSJ-JHJVBQTASA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)O1 ZINC000149765227 347514149 /nfs/dbraw/zinc/51/41/49/347514149.db2.gz PYZBKLVKWMLOHC-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP FC(F)OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000194036773 259396449 /nfs/dbraw/zinc/39/64/49/259396449.db2.gz YKICSOKLRNBIDQ-QWRGUYRKSA-N 2 1 248.317 1.832 20 0 BDADMP O=c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c[nH]1 ZINC000392678104 347651706 /nfs/dbraw/zinc/65/17/06/347651706.db2.gz KZJVMPHDTCKECG-STQMWFEESA-N 2 1 247.342 1.504 20 0 BDADMP O=c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c[nH]1 ZINC000392678104 347651708 /nfs/dbraw/zinc/65/17/08/347651708.db2.gz KZJVMPHDTCKECG-STQMWFEESA-N 2 1 247.342 1.504 20 0 BDADMP O=c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c[nH]1 ZINC000392678101 347651835 /nfs/dbraw/zinc/65/18/35/347651835.db2.gz KZJVMPHDTCKECG-CHWSQXEVSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c[nH]1 ZINC000392678101 347651838 /nfs/dbraw/zinc/65/18/38/347651838.db2.gz KZJVMPHDTCKECG-CHWSQXEVSA-N 2 1 247.342 1.504 20 0 BDADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000591712864 347688230 /nfs/dbraw/zinc/68/82/30/347688230.db2.gz YJVJXKJXCKWYNL-GFCCVEGCSA-N 2 1 236.363 1.620 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000591712864 347688232 /nfs/dbraw/zinc/68/82/32/347688232.db2.gz YJVJXKJXCKWYNL-GFCCVEGCSA-N 2 1 236.363 1.620 20 0 BDADMP CCn1cc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000577377716 365939401 /nfs/dbraw/zinc/93/94/01/365939401.db2.gz XMWORMKFBJQXKY-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358248996 179336952 /nfs/dbraw/zinc/33/69/52/179336952.db2.gz JRSXIGRDIZXTQY-ZFWWWQNUSA-N 2 1 248.370 1.712 20 0 BDADMP CC[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000419316539 192120758 /nfs/dbraw/zinc/12/07/58/192120758.db2.gz XAYVMLLRISSJAA-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CCc1cc(N[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000045955238 490158358 /nfs/dbraw/zinc/15/83/58/490158358.db2.gz OOPYXTOWOFAJHQ-LLVKDONJSA-N 2 1 220.320 1.511 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000397400551 362884715 /nfs/dbraw/zinc/88/47/15/362884715.db2.gz QVFVXOTWPKCYRB-WZRBSPASSA-N 2 1 236.363 1.257 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)CC1(C)C ZINC000623497701 362921310 /nfs/dbraw/zinc/92/13/10/362921310.db2.gz URXBJOYNPKVAEA-LBPRGKRZSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)CC1(C)C ZINC000623490285 362915017 /nfs/dbraw/zinc/91/50/17/362915017.db2.gz FARWJLQSHOGUDV-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000429452852 192146753 /nfs/dbraw/zinc/14/67/53/192146753.db2.gz QTQAVYJNYOXJHV-VWYCJHECSA-N 2 1 248.317 1.219 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CCOCC2)CC[N@H+]1C ZINC000397894949 362932458 /nfs/dbraw/zinc/93/24/58/362932458.db2.gz UPUYEMUCQYYQCC-DGCLKSJQSA-N 2 1 224.348 1.405 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000308877781 349016636 /nfs/dbraw/zinc/01/66/36/349016636.db2.gz OFGFKWPVDFMULF-SNVBAGLBSA-N 2 1 200.301 1.420 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000308877781 349016639 /nfs/dbraw/zinc/01/66/39/349016639.db2.gz OFGFKWPVDFMULF-SNVBAGLBSA-N 2 1 200.301 1.420 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250638309 349178064 /nfs/dbraw/zinc/17/80/64/349178064.db2.gz GKOMTNLHHXOVDM-UPJWGTAASA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250638309 349178067 /nfs/dbraw/zinc/17/80/67/349178067.db2.gz GKOMTNLHHXOVDM-UPJWGTAASA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250638309 349178072 /nfs/dbraw/zinc/17/80/72/349178072.db2.gz GKOMTNLHHXOVDM-UPJWGTAASA-N 3 1 237.391 1.330 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000251056470 349181981 /nfs/dbraw/zinc/18/19/81/349181981.db2.gz PMUKTVCCRSVHJA-PBYDBYKOSA-N 2 1 226.364 1.361 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000251056470 349181982 /nfs/dbraw/zinc/18/19/82/349181982.db2.gz PMUKTVCCRSVHJA-PBYDBYKOSA-N 2 1 226.364 1.361 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251277350 349184383 /nfs/dbraw/zinc/18/43/83/349184383.db2.gz QEDBWNVHVXBPST-TUAOUCFPSA-N 2 1 234.347 1.597 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251277350 349184390 /nfs/dbraw/zinc/18/43/90/349184390.db2.gz QEDBWNVHVXBPST-TUAOUCFPSA-N 2 1 234.347 1.597 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250398340 349170365 /nfs/dbraw/zinc/17/03/65/349170365.db2.gz YVYHYWCLCNZAMP-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250398340 349170367 /nfs/dbraw/zinc/17/03/67/349170367.db2.gz YVYHYWCLCNZAMP-UPJWGTAASA-N 3 1 225.380 1.188 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250398340 349170368 /nfs/dbraw/zinc/17/03/68/349170368.db2.gz YVYHYWCLCNZAMP-UPJWGTAASA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC2)C1 ZINC000250515982 349175252 /nfs/dbraw/zinc/17/52/52/349175252.db2.gz QPSATRDGNGMACF-NEPJUHHUSA-N 2 1 212.337 1.095 20 0 BDADMP COC[C@H](C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253109594 349223784 /nfs/dbraw/zinc/22/37/84/349223784.db2.gz FRLNIBUBYHMKKR-FKJOKYEKSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000252142975 349196770 /nfs/dbraw/zinc/19/67/70/349196770.db2.gz NMJODPFECKVZHB-FVCCEPFGSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCN1C ZINC000252142975 349196773 /nfs/dbraw/zinc/19/67/73/349196773.db2.gz NMJODPFECKVZHB-FVCCEPFGSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000252142975 349196775 /nfs/dbraw/zinc/19/67/75/349196775.db2.gz NMJODPFECKVZHB-FVCCEPFGSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000252142975 349196776 /nfs/dbraw/zinc/19/67/76/349196776.db2.gz NMJODPFECKVZHB-FVCCEPFGSA-N 3 1 225.380 1.329 20 0 BDADMP CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623528544 362946748 /nfs/dbraw/zinc/94/67/48/362946748.db2.gz SMZPSWIXISAJPH-NEPJUHHUSA-N 2 1 228.380 1.874 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000581661113 350039246 /nfs/dbraw/zinc/03/92/46/350039246.db2.gz MCWNXPHLWPSYCG-FIQHERPVSA-N 2 1 212.337 1.413 20 0 BDADMP C[C@H]([N@H+](C)CCCc1c[nH+]cn1C)C(C)(C)O ZINC000314057847 350165823 /nfs/dbraw/zinc/16/58/23/350165823.db2.gz VCYPJHGZLOUIBL-NSHDSACASA-N 2 1 239.363 1.444 20 0 BDADMP C[C@H]([N@@H+](C)CCCc1c[nH+]cn1C)C(C)(C)O ZINC000314057847 350165825 /nfs/dbraw/zinc/16/58/25/350165825.db2.gz VCYPJHGZLOUIBL-NSHDSACASA-N 2 1 239.363 1.444 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000309192799 350167387 /nfs/dbraw/zinc/16/73/87/350167387.db2.gz CRDOUTMHBCPPGP-OLZOCXBDSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN(C)C1 ZINC000309192799 350167389 /nfs/dbraw/zinc/16/73/89/350167389.db2.gz CRDOUTMHBCPPGP-OLZOCXBDSA-N 2 1 227.396 1.435 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000062337152 180143249 /nfs/dbraw/zinc/14/32/49/180143249.db2.gz ZJPGHKKKGLJQLB-JTQLQIEISA-N 2 1 225.361 1.622 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000062337152 180143251 /nfs/dbraw/zinc/14/32/51/180143251.db2.gz ZJPGHKKKGLJQLB-JTQLQIEISA-N 2 1 225.361 1.622 20 0 BDADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC000236824648 191061638 /nfs/dbraw/zinc/06/16/38/191061638.db2.gz ZXDDYDOQTUYYRH-GFCCVEGCSA-N 2 1 243.395 1.158 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(C)nc1 ZINC000340439217 180151903 /nfs/dbraw/zinc/15/19/03/180151903.db2.gz IDJQMDGPRWAVGH-UHFFFAOYSA-N 2 1 231.303 1.080 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1CO ZINC000305176150 180234010 /nfs/dbraw/zinc/23/40/10/180234010.db2.gz LOAPDCCMYYJDLO-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1CO ZINC000305176150 180234012 /nfs/dbraw/zinc/23/40/12/180234012.db2.gz LOAPDCCMYYJDLO-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000427607550 191084190 /nfs/dbraw/zinc/08/41/90/191084190.db2.gz UJEMUOKIHDZQEV-MJBXVCDLSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000338014297 180246358 /nfs/dbraw/zinc/24/63/58/180246358.db2.gz FXJXPEFNAPCLDS-DGCLKSJQSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000364784049 180246589 /nfs/dbraw/zinc/24/65/89/180246589.db2.gz KXVLXDFHRZDVIQ-KBPBESRZSA-N 2 1 249.358 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000337948130 180246662 /nfs/dbraw/zinc/24/66/62/180246662.db2.gz KQBWHDBUZTXHKR-AAEUAGOBSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000337948133 180247225 /nfs/dbraw/zinc/24/72/25/180247225.db2.gz KQBWHDBUZTXHKR-YPMHNXCESA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000336703734 180249932 /nfs/dbraw/zinc/24/99/32/180249932.db2.gz BRPNZPOBGOSDCW-LBPRGKRZSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000336703734 180249934 /nfs/dbraw/zinc/24/99/34/180249934.db2.gz BRPNZPOBGOSDCW-LBPRGKRZSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1ccncc1 ZINC000272368321 180251802 /nfs/dbraw/zinc/25/18/02/180251802.db2.gz OYWCLONJDUWUHW-UHFFFAOYSA-N 2 1 244.342 1.761 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CCc1ccncc1 ZINC000272368321 180251804 /nfs/dbraw/zinc/25/18/04/180251804.db2.gz OYWCLONJDUWUHW-UHFFFAOYSA-N 2 1 244.342 1.761 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[NH+](C2CCC2)CC1 ZINC000336712495 180256106 /nfs/dbraw/zinc/25/61/06/180256106.db2.gz OOQFJPNTTFULGU-UHFFFAOYSA-N 2 1 248.374 1.362 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H](C)O)C(C)C ZINC000305654374 180242374 /nfs/dbraw/zinc/24/23/74/180242374.db2.gz DDTZTBIPKPRULE-GFCCVEGCSA-N 2 1 239.363 1.673 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H](C)O)C(C)C ZINC000305654374 180242376 /nfs/dbraw/zinc/24/23/76/180242376.db2.gz DDTZTBIPKPRULE-GFCCVEGCSA-N 2 1 239.363 1.673 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccn(C)c1 ZINC000270646820 180244987 /nfs/dbraw/zinc/24/49/87/180244987.db2.gz PSWDCEGSLUZVQS-UHFFFAOYSA-N 2 1 232.331 1.710 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000157121878 191090818 /nfs/dbraw/zinc/09/08/18/191090818.db2.gz IXEHOWZMMIOBNJ-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000157121878 191090820 /nfs/dbraw/zinc/09/08/20/191090820.db2.gz IXEHOWZMMIOBNJ-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000252177486 538085403 /nfs/dbraw/zinc/08/54/03/538085403.db2.gz SHHXUIADCBGTDB-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000252177486 538085407 /nfs/dbraw/zinc/08/54/07/538085407.db2.gz SHHXUIADCBGTDB-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000252177486 538085412 /nfs/dbraw/zinc/08/54/12/538085412.db2.gz SHHXUIADCBGTDB-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000252177486 538085419 /nfs/dbraw/zinc/08/54/19/538085419.db2.gz SHHXUIADCBGTDB-AGIUHOORSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)O ZINC000252217526 538086538 /nfs/dbraw/zinc/08/65/38/538086538.db2.gz ZODRGUIMAKIMTH-MXWKQRLJSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)O ZINC000252217526 538086541 /nfs/dbraw/zinc/08/65/41/538086541.db2.gz ZODRGUIMAKIMTH-MXWKQRLJSA-N 2 1 214.353 1.218 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCOC1 ZINC000088702329 180266837 /nfs/dbraw/zinc/26/68/37/180266837.db2.gz RTOROFOWIWLRBW-CMPLNLGQSA-N 2 1 223.320 1.206 20 0 BDADMP Cc1ccsc1C[N@@H+]1CCC[NH2+]CC1 ZINC000038086882 350304216 /nfs/dbraw/zinc/30/42/16/350304216.db2.gz PGXOCTFJBQTPEC-UHFFFAOYSA-N 2 1 210.346 1.852 20 0 BDADMP Cc1ccsc1C[N@H+]1CCC[NH2+]CC1 ZINC000038086882 350304219 /nfs/dbraw/zinc/30/42/19/350304219.db2.gz PGXOCTFJBQTPEC-UHFFFAOYSA-N 2 1 210.346 1.852 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000221451454 180318820 /nfs/dbraw/zinc/31/88/20/180318820.db2.gz ZGGBOVXSOJOKKA-WCBMZHEXSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000221451454 180318824 /nfs/dbraw/zinc/31/88/24/180318824.db2.gz ZGGBOVXSOJOKKA-WCBMZHEXSA-N 2 1 225.361 1.621 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCC1 ZINC000069804746 350403156 /nfs/dbraw/zinc/40/31/56/350403156.db2.gz LUZWGZUEQAPEQE-ZYHUDNBSSA-N 2 1 214.353 1.077 20 0 BDADMP CCOC1CC([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000162777856 350425881 /nfs/dbraw/zinc/42/58/81/350425881.db2.gz VAXHNEUBCHNKDC-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000427983295 191104590 /nfs/dbraw/zinc/10/45/90/191104590.db2.gz DWAIDMSLNKKTJE-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000427983295 191104593 /nfs/dbraw/zinc/10/45/93/191104593.db2.gz DWAIDMSLNKKTJE-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000133062021 191104760 /nfs/dbraw/zinc/10/47/60/191104760.db2.gz WSMYOCSSXLVNCM-ZYHUDNBSSA-N 2 1 223.320 1.206 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](C)O ZINC000623540337 362958697 /nfs/dbraw/zinc/95/86/97/362958697.db2.gz VPZFCKKVMNPYCW-SRVKXCTJSA-N 2 1 228.380 1.608 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000163257384 350511565 /nfs/dbraw/zinc/51/15/65/350511565.db2.gz IFGADPOCTBRJGY-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000163257384 350511570 /nfs/dbraw/zinc/51/15/70/350511570.db2.gz IFGADPOCTBRJGY-BFHYXJOUSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000163257384 350511574 /nfs/dbraw/zinc/51/15/74/350511574.db2.gz IFGADPOCTBRJGY-BFHYXJOUSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000163257384 350511579 /nfs/dbraw/zinc/51/15/79/350511579.db2.gz IFGADPOCTBRJGY-BFHYXJOUSA-N 3 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000163257384 350511583 /nfs/dbraw/zinc/51/15/83/350511583.db2.gz IFGADPOCTBRJGY-BFHYXJOUSA-N 3 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000163257384 350511587 /nfs/dbraw/zinc/51/15/87/350511587.db2.gz IFGADPOCTBRJGY-BFHYXJOUSA-N 3 1 239.407 1.258 20 0 BDADMP CC(C)SCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309478739 350564280 /nfs/dbraw/zinc/56/42/80/350564280.db2.gz VNAUKHAAWQJCOP-LBPRGKRZSA-N 2 1 246.420 1.173 20 0 BDADMP CC(C)SCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309478739 350564281 /nfs/dbraw/zinc/56/42/81/350564281.db2.gz VNAUKHAAWQJCOP-LBPRGKRZSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@H](CO)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000131628036 490649338 /nfs/dbraw/zinc/64/93/38/490649338.db2.gz PYGPKADGAJTUEC-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623553213 362974156 /nfs/dbraw/zinc/97/41/56/362974156.db2.gz KQBFZPSNKGAIAY-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP COCc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000384996108 350705685 /nfs/dbraw/zinc/70/56/85/350705685.db2.gz LIPBQMZMIKOGEJ-UHFFFAOYSA-N 2 1 234.343 1.755 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000575935035 350777452 /nfs/dbraw/zinc/77/74/52/350777452.db2.gz CNVSHRBEBNEZMW-VWYCJHECSA-N 2 1 234.347 1.127 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)CCF)CC1(C)C ZINC000623560501 362985179 /nfs/dbraw/zinc/98/51/79/362985179.db2.gz IFWFECYIKLEJBE-MNOVXSKESA-N 2 1 232.343 1.169 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CCF)CC1(C)C ZINC000623560502 362985537 /nfs/dbraw/zinc/98/55/37/362985537.db2.gz IFWFECYIKLEJBE-QWRGUYRKSA-N 2 1 232.343 1.169 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336684309 350920662 /nfs/dbraw/zinc/92/06/62/350920662.db2.gz FAALJTOTVAJJAB-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000336684309 350920665 /nfs/dbraw/zinc/92/06/65/350920665.db2.gz FAALJTOTVAJJAB-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000336684309 350920666 /nfs/dbraw/zinc/92/06/66/350920666.db2.gz FAALJTOTVAJJAB-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@](C)(CO)C(C)C ZINC000309593954 191127737 /nfs/dbraw/zinc/12/77/37/191127737.db2.gz HSUAPVHGFGDSBZ-LBPRGKRZSA-N 2 1 225.336 1.188 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000216272916 351040338 /nfs/dbraw/zinc/04/03/38/351040338.db2.gz NMHDNAVRAATBSO-NEPJUHHUSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000216272916 351040340 /nfs/dbraw/zinc/04/03/40/351040340.db2.gz NMHDNAVRAATBSO-NEPJUHHUSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cc(C[N@H+](C)CC2CN(C)C2)ccn1 ZINC000628338588 351285259 /nfs/dbraw/zinc/28/52/59/351285259.db2.gz PBNFFGDMNOCKCA-UHFFFAOYSA-N 2 1 219.332 1.383 20 0 BDADMP Cc1cc(CN(C)CC2C[NH+](C)C2)ccn1 ZINC000628338588 351285261 /nfs/dbraw/zinc/28/52/61/351285261.db2.gz PBNFFGDMNOCKCA-UHFFFAOYSA-N 2 1 219.332 1.383 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCCCS1 ZINC000087683686 351347262 /nfs/dbraw/zinc/34/72/62/351347262.db2.gz DFCMRQPEOYRHMS-NXEZZACHSA-N 2 1 200.351 1.224 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650099 366032751 /nfs/dbraw/zinc/03/27/51/366032751.db2.gz CVXQLJAODDJINR-WDEREUQCSA-N 2 1 222.336 1.230 20 0 BDADMP C[C@H]1C[C@H](C[N@H+](C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650099 366032756 /nfs/dbraw/zinc/03/27/56/366032756.db2.gz CVXQLJAODDJINR-WDEREUQCSA-N 2 1 222.336 1.230 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650099 366032763 /nfs/dbraw/zinc/03/27/63/366032763.db2.gz CVXQLJAODDJINR-WDEREUQCSA-N 2 1 222.336 1.230 20 0 BDADMP Cn1c2ccccc2[nH+]c1NC[C@@H]([NH3+])C1CC1 ZINC000129304013 180622212 /nfs/dbraw/zinc/62/22/12/180622212.db2.gz GBHJXISDVHOOFQ-SNVBAGLBSA-N 2 1 230.315 1.723 20 0 BDADMP COC(=O)[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1C ZINC000414764587 351700751 /nfs/dbraw/zinc/70/07/51/351700751.db2.gz YQLYWAOIPAFSGU-IJLUTSLNSA-N 2 1 242.363 1.243 20 0 BDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1C ZINC000414764587 351700753 /nfs/dbraw/zinc/70/07/53/351700753.db2.gz YQLYWAOIPAFSGU-IJLUTSLNSA-N 2 1 242.363 1.243 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]CCC[C@H]1CCO1 ZINC000638337400 352155800 /nfs/dbraw/zinc/15/58/00/352155800.db2.gz FXPBUQUCEVHBLO-OLZOCXBDSA-N 2 1 228.380 1.875 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638360487 352171317 /nfs/dbraw/zinc/17/13/17/352171317.db2.gz SCBFLBXCPLSWIH-NEPJUHHUSA-N 2 1 246.420 1.438 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[C@H]1CCO1 ZINC000638378473 352189671 /nfs/dbraw/zinc/18/96/71/352189671.db2.gz XEQWBVJKCGJDGG-MCIONIFRSA-N 2 1 238.375 1.772 20 0 BDADMP CN(CC(C)(C)[NH3+])C(=O)C[N@@H+](C)CC(C)(C)C ZINC000638404232 352208754 /nfs/dbraw/zinc/20/87/54/352208754.db2.gz WOYADRRATJFJGL-UHFFFAOYSA-N 2 1 243.395 1.160 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638410249 352217894 /nfs/dbraw/zinc/21/78/94/352217894.db2.gz YIISTLAGQIPXGI-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@@](C)(C[NH2+][C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000638496238 352312327 /nfs/dbraw/zinc/31/23/27/352312327.db2.gz QZUHNQUZSHQVHZ-JSGCOSHPSA-N 2 1 249.358 1.603 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261540673 535177231 /nfs/dbraw/zinc/17/72/31/535177231.db2.gz HBYNSQKINFBVAB-IHRRRGAJSA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]CCC[C@@H]1CCO1 ZINC000638503266 352326225 /nfs/dbraw/zinc/32/62/25/352326225.db2.gz GWEDIPGNTOZLMW-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CCC[C@@H]1CCO1 ZINC000638503266 352326229 /nfs/dbraw/zinc/32/62/29/352326229.db2.gz GWEDIPGNTOZLMW-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000638565542 352391311 /nfs/dbraw/zinc/39/13/11/352391311.db2.gz PKTVVJIYOGXWPD-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC(n3cccn3)C2)CC[N@@H+]1C ZINC000638706985 352543822 /nfs/dbraw/zinc/54/38/22/352543822.db2.gz HSKBIBKMSAQGDK-MRFVTOPCSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC(n3cccn3)C2)CC[N@H+]1C ZINC000638706985 352543824 /nfs/dbraw/zinc/54/38/24/352543824.db2.gz HSKBIBKMSAQGDK-MRFVTOPCSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCO2)CC[N@H+]1C ZINC000638706027 352544676 /nfs/dbraw/zinc/54/46/76/352544676.db2.gz DJZGMKBRCYNMNE-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CS1 ZINC000252173153 363190466 /nfs/dbraw/zinc/19/04/66/363190466.db2.gz RNEPDSPDROAUAZ-IJLUTSLNSA-N 2 1 240.416 1.954 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300367974 352560774 /nfs/dbraw/zinc/56/07/74/352560774.db2.gz ONCRVRJGTWQCBW-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP CCCN(CC)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300367974 352560780 /nfs/dbraw/zinc/56/07/80/352560780.db2.gz ONCRVRJGTWQCBW-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@H]1CCCCO1 ZINC000300367533 352560905 /nfs/dbraw/zinc/56/09/05/352560905.db2.gz LETKIBXSAXCIML-FRRDWIJNSA-N 2 1 226.364 1.757 20 0 BDADMP CSC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000300853327 352576962 /nfs/dbraw/zinc/57/69/62/352576962.db2.gz OBYCDOUBLJNEEN-UHFFFAOYSA-N 2 1 202.367 1.551 20 0 BDADMP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)CC(C)C ZINC000043402041 352637237 /nfs/dbraw/zinc/63/72/37/352637237.db2.gz VJKUWLBFSGDJBK-UHFFFAOYSA-N 2 1 240.351 1.741 20 0 BDADMP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC(C)C ZINC000043402041 352637238 /nfs/dbraw/zinc/63/72/38/352637238.db2.gz VJKUWLBFSGDJBK-UHFFFAOYSA-N 2 1 240.351 1.741 20 0 BDADMP COC1([C@@H](C)[NH2+]CCc2c[nH+]cn2C)CCC1 ZINC000412021292 191238607 /nfs/dbraw/zinc/23/86/07/191238607.db2.gz LVAOOBCGSSXTGM-LLVKDONJSA-N 2 1 237.347 1.510 20 0 BDADMP Cc1nocc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000334191439 352781799 /nfs/dbraw/zinc/78/17/99/352781799.db2.gz HNTALUTXVPJBLC-ZWNOBZJWSA-N 2 1 237.347 1.898 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1cnn2ccccc12 ZINC000334198562 352790942 /nfs/dbraw/zinc/79/09/42/352790942.db2.gz MQBNDPBQUZPEDQ-AAEUAGOBSA-N 2 1 244.342 1.374 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000343034564 352941574 /nfs/dbraw/zinc/94/15/74/352941574.db2.gz NTKPLJQOETZULN-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638838321 353023034 /nfs/dbraw/zinc/02/30/34/353023034.db2.gz GCSQXMQQXRNSSI-ZDUSSCGKSA-N 2 1 224.348 1.407 20 0 BDADMP CCC[C@H](C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21)OC ZINC000638919096 353084031 /nfs/dbraw/zinc/08/40/31/353084031.db2.gz YEAALIZTHFZKCQ-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000261991250 535198514 /nfs/dbraw/zinc/19/85/14/535198514.db2.gz SJNPRPZFJJVFEX-GFCCVEGCSA-N 2 1 226.364 1.615 20 0 BDADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)OCC1CC1 ZINC000358505630 188240488 /nfs/dbraw/zinc/24/04/88/188240488.db2.gz KVPSTUFPGDVJGG-UHFFFAOYSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251827490 353292527 /nfs/dbraw/zinc/29/25/27/353292527.db2.gz PHOLXGULIRYGIL-IJLUTSLNSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251827490 353292528 /nfs/dbraw/zinc/29/25/28/353292528.db2.gz PHOLXGULIRYGIL-IJLUTSLNSA-N 2 1 219.332 1.812 20 0 BDADMP C(C[N@H+]1CCC2(CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000335630714 188255863 /nfs/dbraw/zinc/25/58/63/188255863.db2.gz FQUMINJXCWSUKI-LBPRGKRZSA-N 2 1 208.349 1.862 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOCC1CC1 ZINC000126717872 188258264 /nfs/dbraw/zinc/25/82/64/188258264.db2.gz IELRYGQVYRTDAA-CYBMUJFWSA-N 2 1 228.380 1.718 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CSC[C@H]1C ZINC000285849781 188268381 /nfs/dbraw/zinc/26/83/81/188268381.db2.gz HZRPACJDOJQUKI-MWLCHTKSSA-N 2 1 225.361 1.533 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000076693048 188268786 /nfs/dbraw/zinc/26/87/86/188268786.db2.gz AKBDHWBLRXFKIP-AWEZNQCLSA-N 2 1 248.370 1.908 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CC[NH+](C2CC2)C1 ZINC000343273514 353302226 /nfs/dbraw/zinc/30/22/26/353302226.db2.gz YEDFAKQPIGBWDK-BZPMIXESSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343273514 353302228 /nfs/dbraw/zinc/30/22/28/353302228.db2.gz YEDFAKQPIGBWDK-BZPMIXESSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000343273514 353302229 /nfs/dbraw/zinc/30/22/29/353302229.db2.gz YEDFAKQPIGBWDK-BZPMIXESSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343273514 353302232 /nfs/dbraw/zinc/30/22/32/353302232.db2.gz YEDFAKQPIGBWDK-BZPMIXESSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000343273514 353302234 /nfs/dbraw/zinc/30/22/34/353302234.db2.gz YEDFAKQPIGBWDK-BZPMIXESSA-N 2 1 237.391 1.010 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000234874983 188301639 /nfs/dbraw/zinc/30/16/39/188301639.db2.gz IESQWDMCECTZQC-TZMCWYRMSA-N 2 1 248.370 1.968 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CCn1ccnc1 ZINC000336679626 188358502 /nfs/dbraw/zinc/35/85/02/188358502.db2.gz BZGFZIRCCJCAEY-ZDUSSCGKSA-N 2 1 236.363 1.155 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336701002 188358828 /nfs/dbraw/zinc/35/88/28/188358828.db2.gz LUDDRDUIVWCKKK-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@@H]1CCOC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336701002 188358830 /nfs/dbraw/zinc/35/88/30/188358830.db2.gz LUDDRDUIVWCKKK-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+](C[C@@H]1CCOC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336701002 188358832 /nfs/dbraw/zinc/35/88/32/188358832.db2.gz LUDDRDUIVWCKKK-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP Cc1cn[nH]c1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000334509197 353407372 /nfs/dbraw/zinc/40/73/72/353407372.db2.gz STDVOYRFPJTVGD-TZMCWYRMSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cn[nH]c1CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000334509197 353407376 /nfs/dbraw/zinc/40/73/76/353407376.db2.gz STDVOYRFPJTVGD-TZMCWYRMSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1nc(F)ccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000278771285 188382291 /nfs/dbraw/zinc/38/22/91/188382291.db2.gz OUCVUWJLRVZKPD-UHFFFAOYSA-N 2 1 249.333 1.881 20 0 BDADMP CC[C@@H]1C[N@H+](C/C=C\Cl)CC[C@@H]1[NH3+] ZINC000308029619 353500623 /nfs/dbraw/zinc/50/06/23/353500623.db2.gz MHQHNTDSEGYKGA-OSCQXZJKSA-N 2 1 202.729 1.798 20 0 BDADMP CC[C@@H]1C[N@@H+](C/C=C\Cl)CC[C@@H]1[NH3+] ZINC000308029619 353500625 /nfs/dbraw/zinc/50/06/25/353500625.db2.gz MHQHNTDSEGYKGA-OSCQXZJKSA-N 2 1 202.729 1.798 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000261797706 535238299 /nfs/dbraw/zinc/23/82/99/535238299.db2.gz GQNHUTZXLCIDQK-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000231465506 353605434 /nfs/dbraw/zinc/60/54/34/353605434.db2.gz QUKKAIWGKBRWQH-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000231465506 353605438 /nfs/dbraw/zinc/60/54/38/353605438.db2.gz QUKKAIWGKBRWQH-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cnn1C ZINC000231458336 353611922 /nfs/dbraw/zinc/61/19/22/353611922.db2.gz XYJAMVARCCAXBM-ZDUSSCGKSA-N 2 1 236.363 1.302 20 0 BDADMP Cc1c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cnn1C ZINC000231458336 353611923 /nfs/dbraw/zinc/61/19/23/353611923.db2.gz XYJAMVARCCAXBM-ZDUSSCGKSA-N 2 1 236.363 1.302 20 0 BDADMP C[N@@H+](CCC[C@H]1CCO1)CCC[NH+]1CCCC1 ZINC000639133098 353842330 /nfs/dbraw/zinc/84/23/30/353842330.db2.gz YAUAKGJAKPLQQX-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP Cn1cncc1CC[N@H+]1CCC2(CCC2)C1 ZINC000334549290 353989360 /nfs/dbraw/zinc/98/93/60/353989360.db2.gz BMNRFJCFKGABSK-UHFFFAOYSA-N 2 1 219.332 1.839 20 0 BDADMP CCCC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344036226 354101755 /nfs/dbraw/zinc/10/17/55/354101755.db2.gz FXSLGMJHPORNSL-UHFFFAOYSA-N 2 1 229.412 1.602 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344098221 354139727 /nfs/dbraw/zinc/13/97/27/354139727.db2.gz YDMMVKNUMWYARW-CQSZACIVSA-N 2 1 243.439 1.990 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000344763276 354356218 /nfs/dbraw/zinc/35/62/18/354356218.db2.gz UEYAUDCDPOYPEM-RFGFWPKPSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000344763276 354356222 /nfs/dbraw/zinc/35/62/22/354356222.db2.gz UEYAUDCDPOYPEM-RFGFWPKPSA-N 2 1 239.407 1.399 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000349379091 366183738 /nfs/dbraw/zinc/18/37/38/366183738.db2.gz MVWZRMHOXCJXBK-IYIFEETDSA-N 2 1 238.375 1.530 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000349379092 366184138 /nfs/dbraw/zinc/18/41/38/366184138.db2.gz MVWZRMHOXCJXBK-JRWPOKQRSA-N 2 1 238.375 1.530 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CC1)CC1CC1 ZINC000383636199 354605566 /nfs/dbraw/zinc/60/55/66/354605566.db2.gz YGOSFHHHXMABAJ-CQSZACIVSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CC1)CC1CC1 ZINC000383636199 354605568 /nfs/dbraw/zinc/60/55/68/354605568.db2.gz YGOSFHHHXMABAJ-CQSZACIVSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOCC(C)C ZINC000234367751 363421010 /nfs/dbraw/zinc/42/10/10/363421010.db2.gz IWFOQNKQWIUDBW-UHFFFAOYSA-N 2 1 202.342 1.200 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOCC(C)C ZINC000234367751 363421013 /nfs/dbraw/zinc/42/10/13/363421013.db2.gz IWFOQNKQWIUDBW-UHFFFAOYSA-N 2 1 202.342 1.200 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000335165921 354923381 /nfs/dbraw/zinc/92/33/81/354923381.db2.gz KNPKHUGQMYYIRB-NWDGAFQWSA-N 2 1 231.343 1.849 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346638250 355015560 /nfs/dbraw/zinc/01/55/60/355015560.db2.gz JGFPNFVXVCFSRK-VHSXEESVSA-N 2 1 240.372 1.926 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000335218834 355058136 /nfs/dbraw/zinc/05/81/36/355058136.db2.gz ORLLZVGIUPHWCS-VHSXEESVSA-N 2 1 225.361 1.729 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000346751671 355110820 /nfs/dbraw/zinc/11/08/20/355110820.db2.gz DBJYRWHUPMYSPO-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000346970750 355207568 /nfs/dbraw/zinc/20/75/68/355207568.db2.gz RHADENNGSFZJNY-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346964813 355172348 /nfs/dbraw/zinc/17/23/48/355172348.db2.gz BTPHLJJVVFGXQX-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)[NH3+] ZINC000346985610 355186605 /nfs/dbraw/zinc/18/66/05/355186605.db2.gz PNKXCFAMQRHNMJ-LBPRGKRZSA-N 2 1 227.396 1.530 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCCSC2)C1 ZINC000405792183 355296514 /nfs/dbraw/zinc/29/65/14/355296514.db2.gz LKOVFRJFBXNTOY-VHSXEESVSA-N 2 1 200.351 1.305 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)CC[N@H+]1C ZINC000639277052 355353157 /nfs/dbraw/zinc/35/31/57/355353157.db2.gz RQZKOPYTUQTOEP-OLZOCXBDSA-N 2 1 240.391 1.754 20 0 BDADMP Cc1ccc2ncc(C[NH2+]CC(C)(C)[NH3+])n2c1 ZINC000414796683 191571219 /nfs/dbraw/zinc/57/12/19/191571219.db2.gz CFEFCBBEPSDOAS-UHFFFAOYSA-N 2 1 232.331 1.470 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1nccn1-c1ccccc1 ZINC000414897604 191619861 /nfs/dbraw/zinc/61/98/61/191619861.db2.gz RXJSBVOQDWIURY-LBPRGKRZSA-N 2 1 244.342 1.699 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000582181238 355645010 /nfs/dbraw/zinc/64/50/10/355645010.db2.gz MPMZZMUVODCQDS-RKDXNWHRSA-N 2 1 240.376 1.115 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000582181238 355645012 /nfs/dbraw/zinc/64/50/12/355645012.db2.gz MPMZZMUVODCQDS-RKDXNWHRSA-N 2 1 240.376 1.115 20 0 BDADMP COC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1CC1 ZINC000166570174 355694478 /nfs/dbraw/zinc/69/44/78/355694478.db2.gz FPNVRWXROHUTAE-ZDUSSCGKSA-N 2 1 228.380 1.731 20 0 BDADMP COC(C)(C)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000379161043 355814966 /nfs/dbraw/zinc/81/49/66/355814966.db2.gz HCAJKSXQMWKVPL-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2[nH]ccc21 ZINC000351505828 356005008 /nfs/dbraw/zinc/00/50/08/356005008.db2.gz PYXKRKGXHVEZKX-UWVGGRQHSA-N 2 1 245.330 1.487 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192249670 356077990 /nfs/dbraw/zinc/07/79/90/356077990.db2.gz PWGIIFIZJMRSIG-NWDGAFQWSA-N 2 1 236.363 1.413 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192249670 356077994 /nfs/dbraw/zinc/07/79/94/356077994.db2.gz PWGIIFIZJMRSIG-NWDGAFQWSA-N 2 1 236.363 1.413 20 0 BDADMP C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000420299070 192204191 /nfs/dbraw/zinc/20/41/91/192204191.db2.gz GFHBKJWRODWHCY-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP CCCC[N@@H+](CCO)CC[C@@H]1CC[NH2+]C1 ZINC000420318748 192195433 /nfs/dbraw/zinc/19/54/33/192195433.db2.gz OSSCCSRGWWHOOW-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP CCCC[N@@H+](CCO)CC[C@H]1CC[NH2+]C1 ZINC000420318747 192195987 /nfs/dbraw/zinc/19/59/87/192195987.db2.gz OSSCCSRGWWHOOW-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP C[C@H]([NH3+])[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000420274084 192197045 /nfs/dbraw/zinc/19/70/45/192197045.db2.gz YBLWGSDNVRUFIO-YUMQZZPRSA-N 2 1 221.308 1.199 20 0 BDADMP C[N@@H+](CCCc1ccncc1)C1CC[NH2+]CC1 ZINC000420272029 192197739 /nfs/dbraw/zinc/19/77/39/192197739.db2.gz LNJGKLONTUOKID-UHFFFAOYSA-N 2 1 233.359 1.698 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000639488499 356305362 /nfs/dbraw/zinc/30/53/62/356305362.db2.gz IRYRKECHTPVNMX-AVGNSLFASA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420283600 192200402 /nfs/dbraw/zinc/20/04/02/192200402.db2.gz CHMLUMYJPJWNSA-KGLIPLIRSA-N 3 1 241.423 1.681 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420287684 192200707 /nfs/dbraw/zinc/20/07/07/192200707.db2.gz XSYDLPZIFFBVLD-MWLCHTKSSA-N 2 1 249.314 1.042 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000639493751 356316675 /nfs/dbraw/zinc/31/66/75/356316675.db2.gz BMUXWQSXOIQVIH-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000639493751 356316678 /nfs/dbraw/zinc/31/66/78/356316678.db2.gz BMUXWQSXOIQVIH-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000639493751 356316682 /nfs/dbraw/zinc/31/66/82/356316682.db2.gz BMUXWQSXOIQVIH-MJBXVCDLSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](CC)CCCN1CCC([C@H](C)[NH3+])CC1 ZINC000420292136 192203081 /nfs/dbraw/zinc/20/30/81/192203081.db2.gz LIAYPWNJKPNBJM-ZDUSSCGKSA-N 2 1 241.423 1.778 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000420339705 192216439 /nfs/dbraw/zinc/21/64/39/192216439.db2.gz OVQAGXZEZBDVRJ-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000420339705 192216442 /nfs/dbraw/zinc/21/64/42/192216442.db2.gz OVQAGXZEZBDVRJ-FRRDWIJNSA-N 2 1 225.380 1.045 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639510518 356343444 /nfs/dbraw/zinc/34/34/44/356343444.db2.gz BBRGJSVHTBKSRB-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639510518 356343449 /nfs/dbraw/zinc/34/34/49/356343449.db2.gz BBRGJSVHTBKSRB-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639510518 356343454 /nfs/dbraw/zinc/34/34/54/356343454.db2.gz BBRGJSVHTBKSRB-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420309424 192210451 /nfs/dbraw/zinc/21/04/51/192210451.db2.gz LKJXFYDFEIJAPC-LLVKDONJSA-N 2 1 228.336 1.014 20 0 BDADMP C(C[N@H+]1CCOC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000420368359 192225764 /nfs/dbraw/zinc/22/57/64/192225764.db2.gz WQNQGCFSEBCILI-GXTWGEPZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCc2ccncc2)C1 ZINC000420321443 192227644 /nfs/dbraw/zinc/22/76/44/192227644.db2.gz VEBUIDVIILBPFB-AWEZNQCLSA-N 2 1 233.359 1.685 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CCN1C ZINC000420327758 192228854 /nfs/dbraw/zinc/22/88/54/192228854.db2.gz ZBLSQAVYBRERAR-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000420327758 192228856 /nfs/dbraw/zinc/22/88/56/192228856.db2.gz ZBLSQAVYBRERAR-HZSPNIEDSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000420327758 192228857 /nfs/dbraw/zinc/22/88/57/192228857.db2.gz ZBLSQAVYBRERAR-HZSPNIEDSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)CC[NH+]1C ZINC000420327758 192228858 /nfs/dbraw/zinc/22/88/58/192228858.db2.gz ZBLSQAVYBRERAR-HZSPNIEDSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CC[NH+]1C ZINC000420327758 192228860 /nfs/dbraw/zinc/22/88/60/192228860.db2.gz ZBLSQAVYBRERAR-HZSPNIEDSA-N 3 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000336497309 356379808 /nfs/dbraw/zinc/37/98/08/356379808.db2.gz PAKDYUMDFABCEY-ZDUSSCGKSA-N 2 1 248.374 1.272 20 0 BDADMP c1cc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)[nH]n1 ZINC000420327755 192228950 /nfs/dbraw/zinc/22/89/50/192228950.db2.gz ZAWIHTIRKQGJBO-LBPRGKRZSA-N 2 1 248.374 1.589 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324822 192229625 /nfs/dbraw/zinc/22/96/25/192229625.db2.gz HQDAAEHTFGVYSK-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[NH2+]CCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000420357556 192219800 /nfs/dbraw/zinc/21/98/00/192219800.db2.gz IFPDKADRLJJJCZ-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)OCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420356971 192219946 /nfs/dbraw/zinc/21/99/46/192219946.db2.gz DAELSVUNYOXPKQ-SDDRHHMPSA-N 2 1 214.353 1.388 20 0 BDADMP C(C[N@H+]1CCOC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000420358892 192220663 /nfs/dbraw/zinc/22/06/63/192220663.db2.gz JTDRMCCHORUCKM-CQSZACIVSA-N 2 1 238.375 1.487 20 0 BDADMP CCCCOCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420355975 192220937 /nfs/dbraw/zinc/22/09/37/192220937.db2.gz CFTGXWRRVLCKDS-RWMBFGLXSA-N 2 1 228.380 1.779 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000420359821 192221115 /nfs/dbraw/zinc/22/11/15/192221115.db2.gz KWORNAZLSHQKDQ-UHFFFAOYSA-N 2 1 238.306 1.159 20 0 BDADMP CCC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420361620 192222332 /nfs/dbraw/zinc/22/23/32/192222332.db2.gz NIRMYEGPWGZLFX-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420363848 192223491 /nfs/dbraw/zinc/22/34/91/192223491.db2.gz OHSDXGKWBCQIDW-NSHDSACASA-N 2 1 244.379 1.683 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1cccnc1 ZINC000420362993 192223524 /nfs/dbraw/zinc/22/35/24/192223524.db2.gz NOWUBWNDOMNETM-LBPRGKRZSA-N 2 1 221.348 1.587 20 0 BDADMP COCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420383699 192235693 /nfs/dbraw/zinc/23/56/93/192235693.db2.gz DNRSSHIOGOYZMU-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNCc2n[nH]cc2C)C1 ZINC000352806003 356416260 /nfs/dbraw/zinc/41/62/60/356416260.db2.gz YZLWRZCXAUCOMB-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP CC[N@@H+]1CCC[C@@H](CNCc2[nH]ncc2C)C1 ZINC000352806003 356416261 /nfs/dbraw/zinc/41/62/61/356416261.db2.gz YZLWRZCXAUCOMB-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNCc2[nH]ncc2C)C1 ZINC000352806003 356416262 /nfs/dbraw/zinc/41/62/62/356416262.db2.gz YZLWRZCXAUCOMB-LBPRGKRZSA-N 2 1 236.363 1.540 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393805 192237454 /nfs/dbraw/zinc/23/74/54/192237454.db2.gz KACTVROZYLNKLE-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393805 192237456 /nfs/dbraw/zinc/23/74/56/192237456.db2.gz KACTVROZYLNKLE-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC000352203205 134102777 /nfs/dbraw/zinc/10/27/77/134102777.db2.gz PYECPSNHHZGBTR-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000352203205 134102778 /nfs/dbraw/zinc/10/27/78/134102778.db2.gz PYECPSNHHZGBTR-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000352203205 134102779 /nfs/dbraw/zinc/10/27/79/134102779.db2.gz PYECPSNHHZGBTR-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])c1cccc(-n2cccn2)c1 ZINC000420411523 192239977 /nfs/dbraw/zinc/23/99/77/192239977.db2.gz RTAOKRFXKWHKRN-NSHDSACASA-N 2 1 230.315 1.482 20 0 BDADMP C[C@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1C[NH3+] ZINC000420408513 192240058 /nfs/dbraw/zinc/24/00/58/192240058.db2.gz PHWKMMZBPMNWJK-UWVGGRQHSA-N 2 1 236.306 1.185 20 0 BDADMP COCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374354 192231322 /nfs/dbraw/zinc/23/13/22/192231322.db2.gz NPVKMLVJOZFBRW-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@H](C)[NH3+])C1 ZINC000420377196 192231567 /nfs/dbraw/zinc/23/15/67/192231567.db2.gz RXNKUIKHRVHYOV-AAEUAGOBSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000420377196 192231569 /nfs/dbraw/zinc/23/15/69/192231569.db2.gz RXNKUIKHRVHYOV-AAEUAGOBSA-N 2 1 242.363 1.245 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)n1 ZINC000420376613 192232168 /nfs/dbraw/zinc/23/21/68/192232168.db2.gz QVBOSSFXYARSDZ-CYBMUJFWSA-N 2 1 248.374 1.936 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC1CCOCC1 ZINC000420377755 192233162 /nfs/dbraw/zinc/23/31/62/192233162.db2.gz WNEOCBVAWNTARN-MDZLAQPJSA-N 2 1 226.364 1.389 20 0 BDADMP COCCCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420381221 192233523 /nfs/dbraw/zinc/23/35/23/192233523.db2.gz ZBICWHCIYBKPLN-FRRDWIJNSA-N 2 1 228.380 1.779 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000020179816 356487005 /nfs/dbraw/zinc/48/70/05/356487005.db2.gz WOJXDOBOFKFIIC-CYBMUJFWSA-N 2 1 225.380 1.156 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)C[C@H]1C ZINC000420917782 192273157 /nfs/dbraw/zinc/27/31/57/192273157.db2.gz UBMCZXRWUHQAEV-SYQHCUMBSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)C[C@H]1C ZINC000420917782 192273160 /nfs/dbraw/zinc/27/31/60/192273160.db2.gz UBMCZXRWUHQAEV-SYQHCUMBSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)C[C@H]1C ZINC000420917782 192273163 /nfs/dbraw/zinc/27/31/63/192273163.db2.gz UBMCZXRWUHQAEV-SYQHCUMBSA-N 2 1 240.391 1.562 20 0 BDADMP CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+]1C ZINC000420995707 192295055 /nfs/dbraw/zinc/29/50/55/192295055.db2.gz DWUJIIIQMQCYJZ-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CN(CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCC[NH+]1C ZINC000420993787 192291967 /nfs/dbraw/zinc/29/19/67/192291967.db2.gz BDCJBOCCZPGWDC-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@@H]1CCC[NH+]1C)C[C@H]1CCC[N@@H+]1C ZINC000420993787 192291969 /nfs/dbraw/zinc/29/19/69/192291969.db2.gz BDCJBOCCZPGWDC-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@@H]1CCC[NH+]1C)C[C@H]1CCC[N@H+]1C ZINC000420993787 192291973 /nfs/dbraw/zinc/29/19/73/192291973.db2.gz BDCJBOCCZPGWDC-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@@H]1CCCOC1 ZINC000449783609 202035656 /nfs/dbraw/zinc/03/56/56/202035656.db2.gz QJFPCGPZAKSSTG-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@@H]1CCCOC1 ZINC000449783609 202035660 /nfs/dbraw/zinc/03/56/60/202035660.db2.gz QJFPCGPZAKSSTG-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc[nH]c(=O)c3)C2)C1 ZINC000639654812 356559596 /nfs/dbraw/zinc/55/95/96/356559596.db2.gz NTCJCMJOKYGNGT-CQSZACIVSA-N 2 1 247.342 1.315 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](CCc3cnccn3)C2)C1 ZINC000639653659 356565106 /nfs/dbraw/zinc/56/51/06/356565106.db2.gz GQBZVOLSXZKQDA-AWEZNQCLSA-N 2 1 246.358 1.047 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3cnccn3)C2)C1 ZINC000639653659 356565107 /nfs/dbraw/zinc/56/51/07/356565107.db2.gz GQBZVOLSXZKQDA-AWEZNQCLSA-N 2 1 246.358 1.047 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3cnccn3)C2)C1 ZINC000639653659 356565109 /nfs/dbraw/zinc/56/51/09/356565109.db2.gz GQBZVOLSXZKQDA-AWEZNQCLSA-N 2 1 246.358 1.047 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cnccn3)C2)C1 ZINC000639653659 356565110 /nfs/dbraw/zinc/56/51/10/356565110.db2.gz GQBZVOLSXZKQDA-AWEZNQCLSA-N 2 1 246.358 1.047 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000422972941 192532749 /nfs/dbraw/zinc/53/27/49/192532749.db2.gz NDCSURDQSFXCRS-JHJVBQTASA-N 2 1 208.349 1.930 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756230 356660723 /nfs/dbraw/zinc/66/07/23/356660723.db2.gz RWNUOESKBDQWFA-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CCc3cn[nH]c3)C2)CC1 ZINC000639755429 356659481 /nfs/dbraw/zinc/65/94/81/356659481.db2.gz KYZMQRIFDLFRPI-UHFFFAOYSA-N 2 1 248.374 1.370 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](CO)SC)CC1 ZINC000168016986 134155417 /nfs/dbraw/zinc/15/54/17/134155417.db2.gz QVNAVBFTIXGQMA-JQWIXIFHSA-N 2 1 246.420 1.173 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000167682017 134153925 /nfs/dbraw/zinc/15/39/25/134153925.db2.gz XFTQTUPGZWRCPN-NWDGAFQWSA-N 2 1 219.332 1.811 20 0 BDADMP CC[C@@H](C)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765461 356694530 /nfs/dbraw/zinc/69/45/30/356694530.db2.gz ISZQZCXWFRJCDD-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765461 356694533 /nfs/dbraw/zinc/69/45/33/356694533.db2.gz ISZQZCXWFRJCDD-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1ncsc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000070838317 325036904 /nfs/dbraw/zinc/03/69/04/325036904.db2.gz OYKDNMUVDPZMEQ-SNVBAGLBSA-N 2 1 225.361 1.683 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335387 356717196 /nfs/dbraw/zinc/71/71/96/356717196.db2.gz KXDIYPHACVHTLS-WDEREUQCSA-N 2 1 214.353 1.484 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000450466514 202174771 /nfs/dbraw/zinc/17/47/71/202174771.db2.gz JACQOPFKICKVFS-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450466514 202174774 /nfs/dbraw/zinc/17/47/74/202174774.db2.gz JACQOPFKICKVFS-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450466514 202174777 /nfs/dbraw/zinc/17/47/77/202174777.db2.gz JACQOPFKICKVFS-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000450466514 202174779 /nfs/dbraw/zinc/17/47/79/202174779.db2.gz JACQOPFKICKVFS-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000450466514 202174782 /nfs/dbraw/zinc/17/47/82/202174782.db2.gz JACQOPFKICKVFS-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CCc1cc(N(C)[C@H](C[NH3+])C2CC2)nc(C)[nH+]1 ZINC000160251977 356784357 /nfs/dbraw/zinc/78/43/57/356784357.db2.gz HGJBTPZMPWMHNM-GFCCVEGCSA-N 2 1 234.347 1.521 20 0 BDADMP CC(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373039 356882289 /nfs/dbraw/zinc/88/22/89/356882289.db2.gz PWJYBYKMORFPNM-STQMWFEESA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373570 356884942 /nfs/dbraw/zinc/88/49/42/356884942.db2.gz DIGIYVSWZIKKHW-GHMZBOCLSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373571 356884958 /nfs/dbraw/zinc/88/49/58/356884958.db2.gz DIGIYVSWZIKKHW-MNOVXSKESA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cncn1C ZINC000353568426 538748636 /nfs/dbraw/zinc/74/86/36/538748636.db2.gz JACIKUCDJGBYSH-WZRBSPASSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cncn1C ZINC000353568426 538748637 /nfs/dbraw/zinc/74/86/37/538748637.db2.gz JACIKUCDJGBYSH-WZRBSPASSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000155852374 538738016 /nfs/dbraw/zinc/73/80/16/538738016.db2.gz SHHXUIADCBGTDB-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000155852374 538738020 /nfs/dbraw/zinc/73/80/20/538738020.db2.gz SHHXUIADCBGTDB-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000155852374 538738023 /nfs/dbraw/zinc/73/80/23/538738023.db2.gz SHHXUIADCBGTDB-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000155852374 538738027 /nfs/dbraw/zinc/73/80/27/538738027.db2.gz SHHXUIADCBGTDB-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000155852596 538738159 /nfs/dbraw/zinc/73/81/59/538738159.db2.gz SHHXUIADCBGTDB-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000155852596 538738165 /nfs/dbraw/zinc/73/81/65/538738165.db2.gz SHHXUIADCBGTDB-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000155852596 538738171 /nfs/dbraw/zinc/73/81/71/538738171.db2.gz SHHXUIADCBGTDB-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000155852596 538738175 /nfs/dbraw/zinc/73/81/75/538738175.db2.gz SHHXUIADCBGTDB-FRRDWIJNSA-N 2 1 225.380 1.153 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378122 356900120 /nfs/dbraw/zinc/90/01/20/356900120.db2.gz UBVFRIZSMFIZQK-NWDGAFQWSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC[NH3+] ZINC000389783437 357031341 /nfs/dbraw/zinc/03/13/41/357031341.db2.gz JSTMEGMHFJWMSC-HIFRSBDPSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCC[NH3+] ZINC000389783437 357031343 /nfs/dbraw/zinc/03/13/43/357031343.db2.gz JSTMEGMHFJWMSC-HIFRSBDPSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@H](C[NH3+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389788443 357032386 /nfs/dbraw/zinc/03/23/86/357032386.db2.gz NSMTXEWTVCRCMK-GUTXKFCHSA-N 2 1 247.386 1.444 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000389614524 357003158 /nfs/dbraw/zinc/00/31/58/357003158.db2.gz FYIKYOYKFABFGN-NDBYEHHHSA-N 2 1 210.365 1.962 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000665282917 491107958 /nfs/dbraw/zinc/10/79/58/491107958.db2.gz DWSHDBIXRVHROF-UPJWGTAASA-N 3 1 227.396 1.467 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000393337402 357281941 /nfs/dbraw/zinc/28/19/41/357281941.db2.gz UIRILFSMGCTAND-MJBXVCDLSA-N 2 1 240.391 1.469 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C ZINC000393764726 357297228 /nfs/dbraw/zinc/29/72/28/357297228.db2.gz AUSOWAMRRSVFFI-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C ZINC000393764726 357297231 /nfs/dbraw/zinc/29/72/31/357297231.db2.gz AUSOWAMRRSVFFI-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C ZINC000393764726 357297234 /nfs/dbraw/zinc/29/72/34/357297234.db2.gz AUSOWAMRRSVFFI-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C ZINC000393764726 357297239 /nfs/dbraw/zinc/29/72/39/357297239.db2.gz AUSOWAMRRSVFFI-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628425601 357252328 /nfs/dbraw/zinc/25/23/28/357252328.db2.gz PWYMOGDTZQRBQG-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCCC[NH3+] ZINC000423298561 192688152 /nfs/dbraw/zinc/68/81/52/192688152.db2.gz ONTXMEUURLBYGR-RYUDHWBXSA-N 3 1 215.385 1.611 20 0 BDADMP [NH3+]Cc1noc(CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000582963752 357440403 /nfs/dbraw/zinc/44/04/03/357440403.db2.gz FJWZLSDCAUCISC-SNVBAGLBSA-N 2 1 232.287 1.161 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000230675926 357549271 /nfs/dbraw/zinc/54/92/71/357549271.db2.gz ALDXNUPTUNRCHO-GMKTYKIGSA-N 2 1 224.348 1.380 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000230675921 357549506 /nfs/dbraw/zinc/54/95/06/357549506.db2.gz ALDXNUPTUNRCHO-CQLXCSJHSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)O1 ZINC000188555612 357561880 /nfs/dbraw/zinc/56/18/80/357561880.db2.gz KQOHLIPCNKAQQI-AAVRWANBSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)O1 ZINC000188555612 357561882 /nfs/dbraw/zinc/56/18/82/357561882.db2.gz KQOHLIPCNKAQQI-AAVRWANBSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)O1 ZINC000188555612 357561884 /nfs/dbraw/zinc/56/18/84/357561884.db2.gz KQOHLIPCNKAQQI-AAVRWANBSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)O1 ZINC000188555612 357561885 /nfs/dbraw/zinc/56/18/85/357561885.db2.gz KQOHLIPCNKAQQI-AAVRWANBSA-N 2 1 240.391 1.968 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361152633 538867935 /nfs/dbraw/zinc/86/79/35/538867935.db2.gz JZFIPTHVXPAWAR-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2cscn2)CC[N@H+]1C ZINC000158882524 538869822 /nfs/dbraw/zinc/86/98/22/538869822.db2.gz CUMQIWGKGCUHRH-QWRGUYRKSA-N 2 1 239.388 1.758 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416040 357828770 /nfs/dbraw/zinc/82/87/70/357828770.db2.gz GTKLDSLCUREWKI-RYUDHWBXSA-N 2 1 228.380 1.610 20 0 BDADMP COCC[N@@H+](C)CCCNc1cc[nH+]cc1C ZINC000192494162 357835873 /nfs/dbraw/zinc/83/58/73/357835873.db2.gz RLYCPGOUNNKKBH-UHFFFAOYSA-N 2 1 237.347 1.770 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000584404661 357912583 /nfs/dbraw/zinc/91/25/83/357912583.db2.gz JITAAVAFZPZJHW-GHMZBOCLSA-N 3 1 201.358 1.090 20 0 BDADMP C[C@@H]([NH2+]CCSCCCO)[C@H]1CCCC[NH2+]1 ZINC000386582491 357940572 /nfs/dbraw/zinc/94/05/72/357940572.db2.gz PGBFAEIJKKTCQE-VXGBXAGGSA-N 2 1 246.420 1.222 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H](C)O ZINC000583807825 357954920 /nfs/dbraw/zinc/95/49/20/357954920.db2.gz CRPSNSWLSHTVHL-MNOVXSKESA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982291 358025424 /nfs/dbraw/zinc/02/54/24/358025424.db2.gz LHWKENBWHKMBGR-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000168705051 134246421 /nfs/dbraw/zinc/24/64/21/134246421.db2.gz POGIJXCSSGIMQV-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168705051 134246422 /nfs/dbraw/zinc/24/64/22/134246422.db2.gz POGIJXCSSGIMQV-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](C[C@H](C)O)CC1 ZINC000640015810 358068636 /nfs/dbraw/zinc/06/86/36/358068636.db2.gz OKVKTZDGACCOCK-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP CCC1([NH+](C)C)CC[NH+]([C@H]2CCCOC2)CC1 ZINC000640017612 358080460 /nfs/dbraw/zinc/08/04/60/358080460.db2.gz PSUITMMEZGVUEH-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000040622692 358244511 /nfs/dbraw/zinc/24/45/11/358244511.db2.gz GNJURWCLBHNZLO-LBPRGKRZSA-N 2 1 226.364 1.485 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000219137144 134274530 /nfs/dbraw/zinc/27/45/30/134274530.db2.gz FTUJCXIQIQEBTP-QJPTWQEYSA-N 2 1 242.363 1.387 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000219137144 134274531 /nfs/dbraw/zinc/27/45/31/134274531.db2.gz FTUJCXIQIQEBTP-QJPTWQEYSA-N 2 1 242.363 1.387 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CCC(CO)CC2)CC1 ZINC000310276316 358443552 /nfs/dbraw/zinc/44/35/52/358443552.db2.gz FVPGMJWJEUHFPI-UHFFFAOYSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623427856 358435338 /nfs/dbraw/zinc/43/53/38/358435338.db2.gz PFJPPHJUBNDYFK-AVGNSLFASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]1CC[N@@H+](CCNC2CC[NH+](C)CC2)C1 ZINC000309423210 358544273 /nfs/dbraw/zinc/54/42/73/358544273.db2.gz KASBFSVLDIUYQN-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCC[C@@H](C)O)CC1 ZINC000045620275 358563755 /nfs/dbraw/zinc/56/37/55/358563755.db2.gz ZNUNBORTLPUJQW-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCC[C@@H](C)O)CC1 ZINC000045620275 358563758 /nfs/dbraw/zinc/56/37/58/358563758.db2.gz ZNUNBORTLPUJQW-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1CC([NH2+]C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000129940708 358602194 /nfs/dbraw/zinc/60/21/94/358602194.db2.gz MPDPXEUTRJCAJI-GHMZBOCLSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000130188325 358612115 /nfs/dbraw/zinc/61/21/15/358612115.db2.gz DUOUJZMLKMRSAV-IACUBPJLSA-N 2 1 248.374 1.698 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000130188325 358612120 /nfs/dbraw/zinc/61/21/20/358612120.db2.gz DUOUJZMLKMRSAV-IACUBPJLSA-N 2 1 248.374 1.698 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCn1cccn1 ZINC000133302132 358750694 /nfs/dbraw/zinc/75/06/94/358750694.db2.gz VYPSDHZSHSBOAV-GFCCVEGCSA-N 2 1 224.352 1.188 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000214087464 358753389 /nfs/dbraw/zinc/75/33/89/358753389.db2.gz XHYLYEPLNHHMTC-GFCCVEGCSA-N 2 1 235.331 1.192 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051631490 358757137 /nfs/dbraw/zinc/75/71/37/358757137.db2.gz VBDZHRRHZWKXML-HUUCEWRRSA-N 2 1 248.370 1.056 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000050249416 358722231 /nfs/dbraw/zinc/72/22/31/358722231.db2.gz OFEYTMNGBFSPDY-SECBINFHSA-N 2 1 240.269 1.236 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000051990795 358769635 /nfs/dbraw/zinc/76/96/35/358769635.db2.gz BFZWPHAMTOLSRV-STQMWFEESA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000578348578 366532556 /nfs/dbraw/zinc/53/25/56/366532556.db2.gz AHSYPFYPJULYFM-FQUUOJAGSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@@H]([N@@H+](C)CCOCC[NH3+])C(C)(C)C ZINC000086435562 358976690 /nfs/dbraw/zinc/97/66/90/358976690.db2.gz LZMFFNNFWSKKFN-SNVBAGLBSA-N 2 1 202.342 1.328 20 0 BDADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000177322467 134299553 /nfs/dbraw/zinc/29/95/53/134299553.db2.gz WANFCZNGEIZNHA-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432513 358943390 /nfs/dbraw/zinc/94/33/90/358943390.db2.gz VUACWTPHYDPQHS-STQMWFEESA-N 2 1 242.407 1.856 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724240 359032815 /nfs/dbraw/zinc/03/28/15/359032815.db2.gz WTZFHDUINBGSIE-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000423311749 192698555 /nfs/dbraw/zinc/69/85/55/192698555.db2.gz QIDIIXXBZGRLRC-SDDRHHMPSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000071333388 359076951 /nfs/dbraw/zinc/07/69/51/359076951.db2.gz JIBKVKSYHZOVLH-WZRBSPASSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000071333388 359076955 /nfs/dbraw/zinc/07/69/55/359076955.db2.gz JIBKVKSYHZOVLH-WZRBSPASSA-N 2 1 236.363 1.238 20 0 BDADMP COCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247932252 359250325 /nfs/dbraw/zinc/25/03/25/359250325.db2.gz CDLYIXOXIZCYQS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247932252 359250332 /nfs/dbraw/zinc/25/03/32/359250332.db2.gz CDLYIXOXIZCYQS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247932252 359250334 /nfs/dbraw/zinc/25/03/34/359250334.db2.gz CDLYIXOXIZCYQS-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2)[C@@H](C)C1 ZINC000247249753 359204765 /nfs/dbraw/zinc/20/47/65/359204765.db2.gz YUYZMELRSSWHIM-JSGCOSHPSA-N 2 1 233.359 1.902 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)[C@@H](C)C1 ZINC000247249753 359204767 /nfs/dbraw/zinc/20/47/67/359204767.db2.gz YUYZMELRSSWHIM-JSGCOSHPSA-N 2 1 233.359 1.902 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccncc3)CC[C@H]21 ZINC000248160552 359257219 /nfs/dbraw/zinc/25/72/19/359257219.db2.gz RZYJDMAUVZYGET-HUUCEWRRSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccncc3)CC[C@H]21 ZINC000248160552 359257223 /nfs/dbraw/zinc/25/72/23/359257223.db2.gz RZYJDMAUVZYGET-HUUCEWRRSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccncc3)CC[C@H]21 ZINC000248160552 359257225 /nfs/dbraw/zinc/25/72/25/359257225.db2.gz RZYJDMAUVZYGET-HUUCEWRRSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@H]21 ZINC000248160552 359257229 /nfs/dbraw/zinc/25/72/29/359257229.db2.gz RZYJDMAUVZYGET-HUUCEWRRSA-N 2 1 245.370 1.998 20 0 BDADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCO)C1 ZINC000248334211 359264325 /nfs/dbraw/zinc/26/43/25/359264325.db2.gz FZYNBBLUFJVSEY-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCO)C1 ZINC000248334211 359264328 /nfs/dbraw/zinc/26/43/28/359264328.db2.gz FZYNBBLUFJVSEY-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCO)C1 ZINC000248334211 359264333 /nfs/dbraw/zinc/26/43/33/359264333.db2.gz FZYNBBLUFJVSEY-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCO)C1 ZINC000248334211 359264336 /nfs/dbraw/zinc/26/43/36/359264336.db2.gz FZYNBBLUFJVSEY-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCF)CC1(C)C ZINC000623453484 359452283 /nfs/dbraw/zinc/45/22/83/359452283.db2.gz RAKAWVOEHQHVQC-JTQLQIEISA-N 2 1 202.317 1.808 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH2+]CC1(F)CC1 ZINC000379599604 359568019 /nfs/dbraw/zinc/56/80/19/359568019.db2.gz JVMGQJXVLNTQCR-UHFFFAOYSA-N 2 1 202.317 1.666 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450861100 202291954 /nfs/dbraw/zinc/29/19/54/202291954.db2.gz XVEWITVWLAMLRA-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(N)=[NH2+] ZINC000057888016 359788959 /nfs/dbraw/zinc/78/89/59/359788959.db2.gz GDCVVFVGVHZXGV-UHFFFAOYSA-N 2 1 234.347 1.510 20 0 BDADMP C[N@@H+](CCCn1ccnc1)CC[C@H]1CC[NH2+]C1 ZINC000578514919 366586356 /nfs/dbraw/zinc/58/63/56/366586356.db2.gz CPMSCENXNJBPLH-CYBMUJFWSA-N 2 1 236.363 1.205 20 0 BDADMP c1[nH]nc2c1cccc2C[NH2+]CCC[NH+]1CCC1 ZINC000578549266 366597056 /nfs/dbraw/zinc/59/70/56/366597056.db2.gz GKZMOIBQZLYYBN-UHFFFAOYSA-N 2 1 244.342 1.748 20 0 BDADMP CC[C@H]1[C@H](CO)CC[N@H+]1CCC[NH+](CC)CC ZINC000451260884 202390464 /nfs/dbraw/zinc/39/04/64/202390464.db2.gz VDMSMDZFOJZUIJ-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](C)[NH3+] ZINC000088194397 359941008 /nfs/dbraw/zinc/94/10/08/359941008.db2.gz DHHFMQBKFHOLRR-VXGBXAGGSA-N 2 1 236.359 1.905 20 0 BDADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000088194397 359941009 /nfs/dbraw/zinc/94/10/09/359941009.db2.gz DHHFMQBKFHOLRR-VXGBXAGGSA-N 2 1 236.359 1.905 20 0 BDADMP [NH3+]Cc1ccc(-c2noc(C[NH2+]C3CC3)n2)cc1 ZINC000578768846 366644913 /nfs/dbraw/zinc/64/49/13/366644913.db2.gz XGHVWOGIIJPBDC-UHFFFAOYSA-N 2 1 244.298 1.447 20 0 BDADMP CCc1cc(N2CC[C@H](C[NH2+]C)C2)nc(C)[nH+]1 ZINC000088760623 359977424 /nfs/dbraw/zinc/97/74/24/359977424.db2.gz SKYJAOUHCIDZPZ-LLVKDONJSA-N 2 1 234.347 1.393 20 0 BDADMP CN(C)c1nc(N[C@@H]2CCCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000089108941 359990528 /nfs/dbraw/zinc/99/05/28/359990528.db2.gz UUKMZBHMTYOKCP-GHMZBOCLSA-N 2 1 249.362 1.472 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000089147734 359994421 /nfs/dbraw/zinc/99/44/21/359994421.db2.gz IPFOZEKAYJUQQA-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP Cc1n[nH]cc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253948 360158992 /nfs/dbraw/zinc/15/89/92/360158992.db2.gz QUPGLXINIHYLSF-LBPRGKRZSA-N 2 1 236.363 1.492 20 0 BDADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+](C)C ZINC000093496203 360251727 /nfs/dbraw/zinc/25/17/27/360251727.db2.gz SBRVSTGQLOILII-KBPBESRZSA-N 3 1 241.423 1.839 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000094722681 360315853 /nfs/dbraw/zinc/31/58/53/360315853.db2.gz XTEDWMXYUTYEFX-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH]1 ZINC000094755096 360317305 /nfs/dbraw/zinc/31/73/05/360317305.db2.gz POERNKBEYIUTOD-CHWSQXEVSA-N 2 1 219.332 1.731 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cn[nH]c1 ZINC000623474540 360410268 /nfs/dbraw/zinc/41/02/68/360410268.db2.gz FESPBCOCAAGVSF-CMPLNLGQSA-N 2 1 236.363 1.933 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cn[nH]c1 ZINC000623474540 360410272 /nfs/dbraw/zinc/41/02/72/360410272.db2.gz FESPBCOCAAGVSF-CMPLNLGQSA-N 2 1 236.363 1.933 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000133275310 491149329 /nfs/dbraw/zinc/14/93/29/491149329.db2.gz TVKWIFDEXQEYBY-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP NC(=O)c1c[nH+]ccc1NCC[NH+]1CCCCC1 ZINC000302241211 181309699 /nfs/dbraw/zinc/30/96/99/181309699.db2.gz XWIUBQNAJIDSOF-UHFFFAOYSA-N 2 1 248.330 1.078 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(C)COC2)CC[N@H+]1C ZINC000156307685 360963712 /nfs/dbraw/zinc/96/37/12/360963712.db2.gz IHBDRLDVNRTTAW-WDEREUQCSA-N 2 1 212.337 1.095 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)n1 ZINC000414851511 219882614 /nfs/dbraw/zinc/88/26/14/219882614.db2.gz UNEHXMYGOOYZOF-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]CC(C)(C)COC ZINC000309654171 491153753 /nfs/dbraw/zinc/15/37/53/491153753.db2.gz PBZHKLZDRKZTGT-LBPRGKRZSA-N 2 1 230.396 1.979 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000629384735 361032322 /nfs/dbraw/zinc/03/23/22/361032322.db2.gz BNXZFBWSZWKAEM-MNOVXSKESA-N 2 1 226.389 1.756 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000629388726 361035473 /nfs/dbraw/zinc/03/54/73/361035473.db2.gz PFRRPFYLMRLMFJ-DEQVHRJGSA-N 2 1 237.391 1.199 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000629388336 361040503 /nfs/dbraw/zinc/04/05/03/361040503.db2.gz MWGLVLGJINWPJN-YIYPIFLZSA-N 2 1 237.391 1.343 20 0 BDADMP COC1CCC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629397371 361046607 /nfs/dbraw/zinc/04/66/07/361046607.db2.gz UGHBXGAERSXSMP-GMKTYKIGSA-N 2 1 226.364 1.674 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629507241 361105868 /nfs/dbraw/zinc/10/58/68/361105868.db2.gz AVAOPDNTQNQSGO-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629528205 361133130 /nfs/dbraw/zinc/13/31/30/361133130.db2.gz SKTPEZBYDVJPEQ-PDWCTOEPSA-N 2 1 237.391 1.105 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000629525878 361127090 /nfs/dbraw/zinc/12/70/90/361127090.db2.gz FECOYQIYVAHWOS-MROQNXINSA-N 2 1 225.380 1.199 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCOC)C1 ZINC000158503567 361200490 /nfs/dbraw/zinc/20/04/90/361200490.db2.gz JXUMOQFWXQUDGE-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000622044989 370678110 /nfs/dbraw/zinc/67/81/10/370678110.db2.gz ZLVCZAUAKRZKFB-UWVGGRQHSA-N 2 1 236.363 1.237 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000191803919 361365922 /nfs/dbraw/zinc/36/59/22/361365922.db2.gz VXRTUGHRCZSSGY-GFCCVEGCSA-N 2 1 243.395 1.032 20 0 BDADMP [NH3+]C1(C[NH2+]CCOc2ccccc2F)CCC1 ZINC000342123688 181331918 /nfs/dbraw/zinc/33/19/18/181331918.db2.gz HYDUWIOZIDUCNC-UHFFFAOYSA-N 2 1 238.306 1.676 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)[C@H](C)O1 ZINC000631221390 361379885 /nfs/dbraw/zinc/37/98/85/361379885.db2.gz GDSYOAZDQQIPCF-NTZNESFSSA-N 2 1 249.358 1.803 20 0 BDADMP COCC1CCC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629535625 361410471 /nfs/dbraw/zinc/41/04/71/361410471.db2.gz CPZPNEXHMWENMU-GFJIZPEISA-N 2 1 240.391 1.922 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629543178 361422101 /nfs/dbraw/zinc/42/21/01/361422101.db2.gz VIBRCUXUDLLFBY-XUXIUFHCSA-N 2 1 240.391 1.922 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000629545855 361427058 /nfs/dbraw/zinc/42/70/58/361427058.db2.gz AEDKFTGXJNPMPD-MJBXVCDLSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547612 361431600 /nfs/dbraw/zinc/43/16/00/361431600.db2.gz LDPPJBZWODSUJB-BQUFFADESA-N 2 1 224.348 1.284 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCCC(C)(C)C ZINC000629570935 361460692 /nfs/dbraw/zinc/46/06/92/361460692.db2.gz DVUNYOIGXJEJBU-UHFFFAOYSA-N 2 1 230.396 1.981 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccnc1C ZINC000629572183 361463925 /nfs/dbraw/zinc/46/39/25/361463925.db2.gz OGKJDTHDLCPOKO-UHFFFAOYSA-N 2 1 237.347 1.058 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430949310 201158712 /nfs/dbraw/zinc/15/87/12/201158712.db2.gz CBRCWQLTJUPJGX-SNVBAGLBSA-N 2 1 223.320 1.326 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430949310 201158715 /nfs/dbraw/zinc/15/87/15/201158715.db2.gz CBRCWQLTJUPJGX-SNVBAGLBSA-N 2 1 223.320 1.326 20 0 BDADMP O[C@H](C[NH2+][C@@H]1CCCC[C@H]1F)C[NH+]1CCCC1 ZINC000629580337 361466206 /nfs/dbraw/zinc/46/62/06/361466206.db2.gz QWUWFZUYURRZRE-JHJVBQTASA-N 2 1 244.354 1.313 20 0 BDADMP C[N@@H+](CCCc1ccsc1)CCOCC[NH3+] ZINC000629580478 361466283 /nfs/dbraw/zinc/46/62/83/361466283.db2.gz DEYNDAGAWOKBFB-UHFFFAOYSA-N 2 1 242.388 1.588 20 0 BDADMP C[N@@H+](CCCC1CCCC1)CCOCC[NH3+] ZINC000629579939 361466479 /nfs/dbraw/zinc/46/64/79/361466479.db2.gz YRRIMKVTRSFDBO-UHFFFAOYSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593214 361484574 /nfs/dbraw/zinc/48/45/74/361484574.db2.gz ITGCTSFYSLNRGJ-QNWHQSFQSA-N 2 1 208.349 1.574 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCF)CC[C@H]1C(F)(F)F ZINC000629563359 361455514 /nfs/dbraw/zinc/45/55/14/361455514.db2.gz PKVORAMNVJSYNI-DTWKUNHWSA-N 2 1 242.260 1.805 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(C)c1 ZINC000629566245 361457449 /nfs/dbraw/zinc/45/74/49/361457449.db2.gz IRPXLOIUJQALDO-UHFFFAOYSA-N 2 1 236.359 1.663 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629651918 361557553 /nfs/dbraw/zinc/55/75/53/361557553.db2.gz OWBJRBUAMQXYDS-LBPRGKRZSA-N 2 1 221.348 1.457 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccn(C)c1 ZINC000629646813 361535206 /nfs/dbraw/zinc/53/52/06/361535206.db2.gz FKIVJTRKMXXCJF-JQWIXIFHSA-N 2 1 207.321 1.194 20 0 BDADMP CC[C@H]1C[N@@H+](CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000629651959 361558960 /nfs/dbraw/zinc/55/89/60/361558960.db2.gz QREZDUXQSGYBRE-QWHCGFSZSA-N 2 1 224.348 1.392 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000629655170 361559943 /nfs/dbraw/zinc/55/99/43/361559943.db2.gz SXYRWEDIYSNUFR-LBPRGKRZSA-N 2 1 207.321 1.196 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]CC1=CCCOC1 ZINC000629647986 361539715 /nfs/dbraw/zinc/53/97/15/361539715.db2.gz NSNHCOLXVRXDHA-LBPRGKRZSA-N 2 1 212.337 1.440 20 0 BDADMP C[N@@H+](CCn1cccn1)C[C@H]1CCC[NH+](C)C1 ZINC000152473598 201200746 /nfs/dbraw/zinc/20/07/46/201200746.db2.gz IWKXODZHAAUGPJ-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP C[NH+](CCn1cccn1)C[C@H]1CCC[N@H+](C)C1 ZINC000152473598 201200751 /nfs/dbraw/zinc/20/07/51/201200751.db2.gz IWKXODZHAAUGPJ-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP C[NH+](CCn1cccn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152473598 201200755 /nfs/dbraw/zinc/20/07/55/201200755.db2.gz IWKXODZHAAUGPJ-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648570 361540503 /nfs/dbraw/zinc/54/05/03/361540503.db2.gz RBHWPXBGKKKSGC-YPMHNXCESA-N 2 1 224.348 1.250 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648518 361540603 /nfs/dbraw/zinc/54/06/03/361540603.db2.gz QAGRBFPZLNJKRV-YRGRVCCFSA-N 2 1 238.375 1.638 20 0 BDADMP COCc1ccc(C[NH2+][C@@H](C)CC[NH3+])o1 ZINC000629648685 361541998 /nfs/dbraw/zinc/54/19/98/361541998.db2.gz ZMSAXJYGXATOEM-VIFPVBQESA-N 2 1 212.293 1.253 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000629649066 361542880 /nfs/dbraw/zinc/54/28/80/361542880.db2.gz GXLPBIGNXFUVDZ-DGCLKSJQSA-N 2 1 219.332 1.620 20 0 BDADMP c1ccc2c(c1)C=C(C[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CO2 ZINC000629649035 361543761 /nfs/dbraw/zinc/54/37/61/361543761.db2.gz FQTFFLNPUMXOTC-NHAGDIPZSA-N 2 1 242.322 1.270 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]CC1(OC)CCCC1 ZINC000629649469 361545022 /nfs/dbraw/zinc/54/50/22/361545022.db2.gz BUVSARCDFYAMTB-SNVBAGLBSA-N 2 1 200.326 1.143 20 0 BDADMP COC1(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCCC1 ZINC000629650015 361546657 /nfs/dbraw/zinc/54/66/57/361546657.db2.gz OHNRRSRVBHESTQ-OCCSQVGLSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CC1=CCCOC1)C2 ZINC000629649840 361546812 /nfs/dbraw/zinc/54/68/12/361546812.db2.gz HYLDUKPWKQVKHZ-QWHCGFSZSA-N 2 1 222.332 1.146 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC1=CCCOC1)C2 ZINC000629649840 361546816 /nfs/dbraw/zinc/54/68/16/361546816.db2.gz HYLDUKPWKQVKHZ-QWHCGFSZSA-N 2 1 222.332 1.146 20 0 BDADMP COCc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])o1 ZINC000629650157 361548121 /nfs/dbraw/zinc/54/81/21/361548121.db2.gz PMKCULBXFOSYAG-VHSXEESVSA-N 2 1 226.320 1.641 20 0 BDADMP COCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000629650158 361548231 /nfs/dbraw/zinc/54/82/31/361548231.db2.gz PMKCULBXFOSYAG-ZJUUUORDSA-N 2 1 226.320 1.641 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000629652338 361549512 /nfs/dbraw/zinc/54/95/12/361549512.db2.gz AGBSNNQJIPFDNI-LBPRGKRZSA-N 2 1 205.305 1.217 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629652048 361550315 /nfs/dbraw/zinc/55/03/15/361550315.db2.gz UIPAMQPZPRFGEF-GFCCVEGCSA-N 2 1 224.348 1.265 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661476 361594295 /nfs/dbraw/zinc/59/42/95/361594295.db2.gz BEOQXQCUDNLUEE-UPJWGTAASA-N 2 1 226.364 1.200 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCCO ZINC000310005420 491159057 /nfs/dbraw/zinc/15/90/57/491159057.db2.gz GKVYDXBPLBSHNS-CHWSQXEVSA-N 2 1 230.396 1.857 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCCO ZINC000310005420 491159058 /nfs/dbraw/zinc/15/90/58/491159058.db2.gz GKVYDXBPLBSHNS-CHWSQXEVSA-N 2 1 230.396 1.857 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)CC[N@H+]1C ZINC000153100258 201220150 /nfs/dbraw/zinc/22/01/50/201220150.db2.gz WRECUQSEKWUBPY-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)C ZINC000153778634 201250766 /nfs/dbraw/zinc/25/07/66/201250766.db2.gz QJEGBZODRWWAPN-LBPRGKRZSA-N 2 1 230.396 1.979 20 0 BDADMP CC[C@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000153769620 201246889 /nfs/dbraw/zinc/24/68/89/201246889.db2.gz ILFWNRFUOAXCOD-NSHDSACASA-N 2 1 202.342 1.343 20 0 BDADMP CC[C@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000153769620 201246893 /nfs/dbraw/zinc/24/68/93/201246893.db2.gz ILFWNRFUOAXCOD-NSHDSACASA-N 2 1 202.342 1.343 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1=CCCOC1 ZINC000379746204 361644177 /nfs/dbraw/zinc/64/41/77/361644177.db2.gz BSVIUDNCAYNCLY-JQWIXIFHSA-N 2 1 210.321 1.145 20 0 BDADMP CC[N@H+](Cc1cncn1C)[C@H]1CCC[NH2+]CC1 ZINC000435393097 201267952 /nfs/dbraw/zinc/26/79/52/201267952.db2.gz YWYDZAJMRBTREV-LBPRGKRZSA-N 2 1 236.363 1.384 20 0 BDADMP CC[N@@H+](Cc1cncn1C)[C@H]1CCC[NH2+]CC1 ZINC000435393097 201267954 /nfs/dbraw/zinc/26/79/54/201267954.db2.gz YWYDZAJMRBTREV-LBPRGKRZSA-N 2 1 236.363 1.384 20 0 BDADMP CCC[C@H](CC)[NH2+]C1CC[NH+](CCO)CC1 ZINC000310033385 491159736 /nfs/dbraw/zinc/15/97/36/491159736.db2.gz RYGMSOQKFHNSSX-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP CC[N@@H+](CCOCC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435627463 201279017 /nfs/dbraw/zinc/27/90/17/201279017.db2.gz NOCXXTQTJYQDBR-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH+]1C ZINC000154566390 201284746 /nfs/dbraw/zinc/28/47/46/201284746.db2.gz DSRUCNLBJNKYHG-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000154566390 201284749 /nfs/dbraw/zinc/28/47/49/201284749.db2.gz DSRUCNLBJNKYHG-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000154566390 201284753 /nfs/dbraw/zinc/28/47/53/201284753.db2.gz DSRUCNLBJNKYHG-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000154566390 201284755 /nfs/dbraw/zinc/28/47/55/201284755.db2.gz DSRUCNLBJNKYHG-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000154566390 201284756 /nfs/dbraw/zinc/28/47/56/201284756.db2.gz DSRUCNLBJNKYHG-MQYQWHSLSA-N 2 1 239.407 1.399 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000435878606 201290257 /nfs/dbraw/zinc/29/02/57/201290257.db2.gz DIUGLDWTJSAFJI-NSHDSACASA-N 2 1 238.335 1.167 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000435878606 201290259 /nfs/dbraw/zinc/29/02/59/201290259.db2.gz DIUGLDWTJSAFJI-NSHDSACASA-N 2 1 238.335 1.167 20 0 BDADMP CC[NH+](CC)CC1CCN(CCC[NH2+]C)CC1 ZINC000435881867 201296387 /nfs/dbraw/zinc/29/63/87/201296387.db2.gz WKKNQJXSWMESHV-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH2+]C)C[C@@H]1C ZINC000435878644 201293544 /nfs/dbraw/zinc/29/35/44/201293544.db2.gz DVKJYTYKYXNACJ-QWHCGFSZSA-N 2 1 227.396 1.401 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000438117157 201393397 /nfs/dbraw/zinc/39/33/97/201393397.db2.gz UWOQQHQXGZCFLI-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC000438090051 201386877 /nfs/dbraw/zinc/38/68/77/201386877.db2.gz ACUGZUOHKYGAMX-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000438090051 201386879 /nfs/dbraw/zinc/38/68/79/201386879.db2.gz ACUGZUOHKYGAMX-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438090051 201386884 /nfs/dbraw/zinc/38/68/84/201386884.db2.gz ACUGZUOHKYGAMX-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438207652 201398843 /nfs/dbraw/zinc/39/88/43/201398843.db2.gz AEBULTOZUMXLBR-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CCCC[NH2+]1 ZINC000398196234 541307163 /nfs/dbraw/zinc/30/71/63/541307163.db2.gz ZILNMUVDQFXNQX-LPWJVIDDSA-N 2 1 226.364 1.674 20 0 BDADMP Cc1cc(N[C@H]2CC[NH2+]C23CCC3)nc(C)[nH+]1 ZINC000630524958 364212572 /nfs/dbraw/zinc/21/25/72/364212572.db2.gz WWGNOIBTHLKJIZ-NSHDSACASA-N 2 1 232.331 1.790 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000398952611 364279208 /nfs/dbraw/zinc/27/92/08/364279208.db2.gz FHBAKEDCGOJWGQ-AXFHLTTASA-N 2 1 200.326 1.142 20 0 BDADMP CC[NH+](CC)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000630592727 364299119 /nfs/dbraw/zinc/29/91/19/364299119.db2.gz VZSGLLZFVBBQPF-UHFFFAOYSA-N 2 1 237.351 1.044 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCOC1 ZINC000398976431 364401305 /nfs/dbraw/zinc/40/13/05/364401305.db2.gz CYZPNRXIIJAHMT-NDBYEHHHSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398996353 364667264 /nfs/dbraw/zinc/66/72/64/364667264.db2.gz ABZANKVCYRDBBM-IJLUTSLNSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOC2)CC[N@@H+]1C ZINC000248176713 364628307 /nfs/dbraw/zinc/62/83/07/364628307.db2.gz VRXIGMVXZWRJLO-UTUOFQBUSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOC2)CC[N@H+]1C ZINC000248176713 364628311 /nfs/dbraw/zinc/62/83/11/364628311.db2.gz VRXIGMVXZWRJLO-UTUOFQBUSA-N 2 1 212.337 1.238 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000573315695 364795859 /nfs/dbraw/zinc/79/58/59/364795859.db2.gz SGHSHNBSTSLWTF-RYUDHWBXSA-N 3 1 213.369 1.093 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000167432983 364793128 /nfs/dbraw/zinc/79/31/28/364793128.db2.gz VEXUQNIEEMTNRC-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC)CC2)C1 ZINC000336896600 364841763 /nfs/dbraw/zinc/84/17/63/364841763.db2.gz ODHGUKWVKYAIKN-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCCO1 ZINC000335011690 541419246 /nfs/dbraw/zinc/41/92/46/541419246.db2.gz XDYGYCZRKIBIQC-UONOGXRCSA-N 2 1 238.375 1.631 20 0 BDADMP [NH3+]CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000052171522 181390277 /nfs/dbraw/zinc/39/02/77/181390277.db2.gz DDMBMRVZJRLVDN-UHFFFAOYSA-N 2 1 248.370 1.874 20 0 BDADMP [NH3+]CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000052171522 181390280 /nfs/dbraw/zinc/39/02/80/181390280.db2.gz DDMBMRVZJRLVDN-UHFFFAOYSA-N 2 1 248.370 1.874 20 0 BDADMP [NH3+]CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000082929065 181393075 /nfs/dbraw/zinc/39/30/75/181393075.db2.gz NQLIAIVIKQFDPM-CYBMUJFWSA-N 2 1 204.317 1.510 20 0 BDADMP [NH3+]CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000082929065 181393076 /nfs/dbraw/zinc/39/30/76/181393076.db2.gz NQLIAIVIKQFDPM-CYBMUJFWSA-N 2 1 204.317 1.510 20 0 BDADMP C[C@H]1C[C@H]1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000574845641 365158090 /nfs/dbraw/zinc/15/80/90/365158090.db2.gz HXXFXQRORCVPFG-KBPBESRZSA-N 2 1 241.423 1.458 20 0 BDADMP C[C@H]1C[C@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443066968 193012088 /nfs/dbraw/zinc/01/20/88/193012088.db2.gz KMEAYPIKFMLVJT-STQMWFEESA-N 2 1 239.407 1.258 20 0 BDADMP C[C@H]1C[C@@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443066966 193012177 /nfs/dbraw/zinc/01/21/77/193012177.db2.gz KMEAYPIKFMLVJT-QWHCGFSZSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000171648607 365223858 /nfs/dbraw/zinc/22/38/58/365223858.db2.gz LHMHWZRTWXPXLA-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000171648607 365223866 /nfs/dbraw/zinc/22/38/66/365223866.db2.gz LHMHWZRTWXPXLA-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccnc(N(C)C)n1 ZINC000443502025 193021728 /nfs/dbraw/zinc/02/17/28/193021728.db2.gz QNQUOYZULFPZCW-GHMZBOCLSA-N 2 1 249.362 1.071 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444589214 193051813 /nfs/dbraw/zinc/05/18/13/193051813.db2.gz AOZJLQLVALZDNP-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP CC[C@H](F)C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000575192772 365236319 /nfs/dbraw/zinc/23/63/19/365236319.db2.gz MPZDCXNFKSIMKW-SDDRHHMPSA-N 2 1 214.328 1.903 20 0 BDADMP CC[C@H](F)C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000575192772 365236324 /nfs/dbraw/zinc/23/63/24/365236324.db2.gz MPZDCXNFKSIMKW-SDDRHHMPSA-N 2 1 214.328 1.903 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000172198234 365300659 /nfs/dbraw/zinc/30/06/59/365300659.db2.gz MAVGQAZEPRSWMW-OLZOCXBDSA-N 2 1 208.349 1.979 20 0 BDADMP CCCC[N@@H+](CCCO)CC[C@H]1CCC[NH+]1C ZINC000182165357 366871393 /nfs/dbraw/zinc/87/13/93/366871393.db2.gz RTFMKTIPWJRMFB-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP CCCC[NH+](CCCO)CC[C@H]1CCC[N@@H+]1C ZINC000182165357 366871397 /nfs/dbraw/zinc/87/13/97/366871397.db2.gz RTFMKTIPWJRMFB-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP CCCC[NH+](CCCO)CC[C@H]1CCC[N@H+]1C ZINC000182165357 366871402 /nfs/dbraw/zinc/87/14/02/366871402.db2.gz RTFMKTIPWJRMFB-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192457922 365382382 /nfs/dbraw/zinc/38/23/82/365382382.db2.gz KKXDPIRBLHZGIG-RISCZKNCSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000575980127 365432430 /nfs/dbraw/zinc/43/24/30/365432430.db2.gz UTHDCHIRKXVEBU-JSGCOSHPSA-N 2 1 239.407 1.447 20 0 BDADMP CC1(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000576209783 365523434 /nfs/dbraw/zinc/52/34/34/365523434.db2.gz SFOUHMGSZSODBV-GFCCVEGCSA-N 2 1 249.362 1.174 20 0 BDADMP C[C@@H]([NH2+]CCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709797 367140281 /nfs/dbraw/zinc/14/02/81/367140281.db2.gz BEJYEARRYAQAPZ-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000580963636 367220830 /nfs/dbraw/zinc/22/08/30/367220830.db2.gz VDDQLHKLHWDXDE-STQMWFEESA-N 3 1 236.363 1.441 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](CC)C1CCCC1 ZINC000381085085 367349070 /nfs/dbraw/zinc/34/90/70/367349070.db2.gz SOXDMGXZWWIXMS-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CCCC1 ZINC000381085085 367349073 /nfs/dbraw/zinc/34/90/73/367349073.db2.gz SOXDMGXZWWIXMS-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CCCC1 ZINC000381085085 367349077 /nfs/dbraw/zinc/34/90/77/367349077.db2.gz SOXDMGXZWWIXMS-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C1CCCC1 ZINC000381085085 367349081 /nfs/dbraw/zinc/34/90/81/367349081.db2.gz SOXDMGXZWWIXMS-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C1CCCC1 ZINC000381085085 367349085 /nfs/dbraw/zinc/34/90/85/367349085.db2.gz SOXDMGXZWWIXMS-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCCCC1 ZINC000381102505 367350029 /nfs/dbraw/zinc/35/00/29/367350029.db2.gz YAUSLNLSBBSCDG-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCCCC1 ZINC000381102505 367350033 /nfs/dbraw/zinc/35/00/33/367350033.db2.gz YAUSLNLSBBSCDG-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000381102505 367350036 /nfs/dbraw/zinc/35/00/36/367350036.db2.gz YAUSLNLSBBSCDG-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000381102505 367350041 /nfs/dbraw/zinc/35/00/41/367350041.db2.gz YAUSLNLSBBSCDG-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@H](O)CN(C)CC ZINC000381090979 367350549 /nfs/dbraw/zinc/35/05/49/367350549.db2.gz VCWPMAWRHJOMDV-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000381090979 367350555 /nfs/dbraw/zinc/35/05/55/367350555.db2.gz VCWPMAWRHJOMDV-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000381090979 367350560 /nfs/dbraw/zinc/35/05/60/367350560.db2.gz VCWPMAWRHJOMDV-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000381090979 367350567 /nfs/dbraw/zinc/35/05/67/367350567.db2.gz VCWPMAWRHJOMDV-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000381090979 367350574 /nfs/dbraw/zinc/35/05/74/367350574.db2.gz VCWPMAWRHJOMDV-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000581375092 367406737 /nfs/dbraw/zinc/40/67/37/367406737.db2.gz NTLBFEPLGVNDGM-RAIGVLPGSA-N 2 1 226.364 1.255 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000381908680 367470027 /nfs/dbraw/zinc/47/00/27/367470027.db2.gz AIJVORZDXGFITB-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP FC1(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000381604277 367436446 /nfs/dbraw/zinc/43/64/46/367436446.db2.gz PIDYWWWIGYVAGD-LLVKDONJSA-N 2 1 212.312 1.564 20 0 BDADMP FC1(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000381604277 367436450 /nfs/dbraw/zinc/43/64/50/367436450.db2.gz PIDYWWWIGYVAGD-LLVKDONJSA-N 2 1 212.312 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000382842648 367563168 /nfs/dbraw/zinc/56/31/68/367563168.db2.gz WUNCLMALACLXMJ-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000382250170 367501520 /nfs/dbraw/zinc/50/15/20/367501520.db2.gz UVVFHFNXKXEWSB-UHTWSYAYSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCOCC[NH3+] ZINC000384049127 367669242 /nfs/dbraw/zinc/66/92/42/367669242.db2.gz RTCBXWCUYYTDLR-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000384108834 367672249 /nfs/dbraw/zinc/67/22/49/367672249.db2.gz GTUAPJCGWQRLHO-HIFRSBDPSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000384108834 367672251 /nfs/dbraw/zinc/67/22/51/367672251.db2.gz GTUAPJCGWQRLHO-HIFRSBDPSA-N 2 1 248.370 1.872 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000384179739 367674179 /nfs/dbraw/zinc/67/41/79/367674179.db2.gz YZDDZPNFGMZSRS-NWINJMCUSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H](CC(C)(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000384435163 367691760 /nfs/dbraw/zinc/69/17/60/367691760.db2.gz DQHBUUSFFWORFS-MNOVXSKESA-N 2 1 216.369 1.323 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)C2(C[NH3+])CCC2)c1 ZINC000385173840 367804891 /nfs/dbraw/zinc/80/48/91/367804891.db2.gz BUNREEBLNFSOIG-UHFFFAOYSA-N 2 1 249.358 1.712 20 0 BDADMP CCn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000385347455 367821040 /nfs/dbraw/zinc/82/10/40/367821040.db2.gz NNFCCJHZGQZFJO-NWDGAFQWSA-N 2 1 236.363 1.510 20 0 BDADMP CN1CC[N@H+](CC2CCCCC2)[C@H](CN)C1 ZINC000087613436 367914534 /nfs/dbraw/zinc/91/45/34/367914534.db2.gz RTONEJXVGLDHAN-CYBMUJFWSA-N 2 1 225.380 1.141 20 0 BDADMP CN1CC[N@@H+](CC2CCCCC2)[C@H](CN)C1 ZINC000087613436 367914543 /nfs/dbraw/zinc/91/45/43/367914543.db2.gz RTONEJXVGLDHAN-CYBMUJFWSA-N 2 1 225.380 1.141 20 0 BDADMP CC[N@@H+](CCN[C@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000386012163 367897746 /nfs/dbraw/zinc/89/77/46/367897746.db2.gz MVKMNGJPNPTNDX-TZMCWYRMSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386534248 367986907 /nfs/dbraw/zinc/98/69/07/367986907.db2.gz BJDLEOVGCXKUHN-BJDJZHNGSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)[C@@H]1CCCC[NH2+]1 ZINC000386534591 367987827 /nfs/dbraw/zinc/98/78/27/367987827.db2.gz BJDLEOVGCXKUHN-YFKTTZPYSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@H]([NH2+]CCSCCCO)[C@H]1CCCC[NH2+]1 ZINC000386582487 367997373 /nfs/dbraw/zinc/99/73/73/367997373.db2.gz PGBFAEIJKKTCQE-NWDGAFQWSA-N 2 1 246.420 1.222 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC000399255646 368047580 /nfs/dbraw/zinc/04/75/80/368047580.db2.gz ZRWMARUUHFEZHX-RHYQMDGZSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H](C)O ZINC000386678606 368010046 /nfs/dbraw/zinc/01/00/46/368010046.db2.gz HSZROMDTHHYRNA-CMPLNLGQSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](C)O ZINC000386768461 368019440 /nfs/dbraw/zinc/01/94/40/368019440.db2.gz JXPVAEHKKMFNCS-ZWNOBZJWSA-N 2 1 226.364 1.362 20 0 BDADMP CC(C)[NH+](C)CCCNC(=O)C[N@H+](C)C(C)C ZINC000067573753 368692541 /nfs/dbraw/zinc/69/25/41/368692541.db2.gz RRNHWYSZBHTJSL-UHFFFAOYSA-N 2 1 243.395 1.173 20 0 BDADMP CC(C)[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC000067573753 368692545 /nfs/dbraw/zinc/69/25/45/368692545.db2.gz RRNHWYSZBHTJSL-UHFFFAOYSA-N 2 1 243.395 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](C)OC)C(C)C ZINC000567246703 326149443 /nfs/dbraw/zinc/14/94/43/326149443.db2.gz SDTKSAMDVXLIGV-OLZOCXBDSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C[C@@H](C)OC)C(C)C ZINC000567246703 326149447 /nfs/dbraw/zinc/14/94/47/326149447.db2.gz SDTKSAMDVXLIGV-OLZOCXBDSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000567246703 326149449 /nfs/dbraw/zinc/14/94/49/326149449.db2.gz SDTKSAMDVXLIGV-OLZOCXBDSA-N 2 1 246.395 1.044 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000112344402 368870978 /nfs/dbraw/zinc/87/09/78/368870978.db2.gz DUWSZIQRRRCCLN-GFCCVEGCSA-N 2 1 236.363 1.240 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000112344402 368870981 /nfs/dbraw/zinc/87/09/81/368870981.db2.gz DUWSZIQRRRCCLN-GFCCVEGCSA-N 2 1 236.363 1.240 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CCO[C@H]1C ZINC000631820795 368969055 /nfs/dbraw/zinc/96/90/55/368969055.db2.gz GKJVSFFYYJKHGV-CYDGBPFRSA-N 2 1 226.364 1.613 20 0 BDADMP CCc1cc(N2CCC(CC[NH3+])CC2)nc(C)[nH+]1 ZINC000088760663 368927105 /nfs/dbraw/zinc/92/71/05/368927105.db2.gz VUSTZNCDXILRIQ-UHFFFAOYSA-N 2 1 248.374 1.913 20 0 BDADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000459415043 203276130 /nfs/dbraw/zinc/27/61/30/203276130.db2.gz ZJRPODQAHAINFP-CHWSQXEVSA-N 2 1 237.347 1.510 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](C)O)[C@H](C)C1 ZINC000459382363 203271170 /nfs/dbraw/zinc/27/11/70/203271170.db2.gz SYKDGORQPBJIEC-GRYCIOLGSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](C)O)[C@H](C)C1 ZINC000459382363 203271173 /nfs/dbraw/zinc/27/11/73/203271173.db2.gz SYKDGORQPBJIEC-GRYCIOLGSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](C)O)[C@H](C)C1 ZINC000459382363 203271176 /nfs/dbraw/zinc/27/11/76/203271176.db2.gz SYKDGORQPBJIEC-GRYCIOLGSA-N 2 1 214.353 1.029 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1C[C@@H]1C ZINC000401676530 369370127 /nfs/dbraw/zinc/37/01/27/369370127.db2.gz ONFYOSCAGCGUKZ-DRZSPHRISA-N 2 1 221.348 1.987 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]CC[C@H]2CCOC2)C1 ZINC000459724298 203341722 /nfs/dbraw/zinc/34/17/22/203341722.db2.gz ALLLOZSGJHVWKI-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP Cn1nccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459729893 203344911 /nfs/dbraw/zinc/34/49/11/203344911.db2.gz JLBOJNWONAUAEP-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1nccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459729888 203345917 /nfs/dbraw/zinc/34/59/17/203345917.db2.gz JLBOJNWONAUAEP-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP COCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459782802 203366684 /nfs/dbraw/zinc/36/66/84/203366684.db2.gz NAGFSCNMNIVKOH-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP COCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459782805 203366826 /nfs/dbraw/zinc/36/68/26/203366826.db2.gz NAGFSCNMNIVKOH-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000310538072 370351584 /nfs/dbraw/zinc/35/15/84/370351584.db2.gz PVKXKIWEHXIEMG-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000310538072 370351589 /nfs/dbraw/zinc/35/15/89/370351589.db2.gz PVKXKIWEHXIEMG-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000310538072 370351593 /nfs/dbraw/zinc/35/15/93/370351593.db2.gz PVKXKIWEHXIEMG-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000310538072 370351599 /nfs/dbraw/zinc/35/15/99/370351599.db2.gz PVKXKIWEHXIEMG-MCIONIFRSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]1CCC[C@@H]1[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000568238554 326332374 /nfs/dbraw/zinc/33/23/74/326332374.db2.gz XKESUTKQDRLRCP-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000310489660 370347573 /nfs/dbraw/zinc/34/75/73/370347573.db2.gz FQMGMIOEBRCIJB-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@H]1C ZINC000310489660 370347575 /nfs/dbraw/zinc/34/75/75/370347575.db2.gz FQMGMIOEBRCIJB-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@H]1C ZINC000310489660 370347582 /nfs/dbraw/zinc/34/75/82/370347582.db2.gz FQMGMIOEBRCIJB-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000310489660 370347589 /nfs/dbraw/zinc/34/75/89/370347589.db2.gz FQMGMIOEBRCIJB-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000310489660 370347596 /nfs/dbraw/zinc/34/75/96/370347596.db2.gz FQMGMIOEBRCIJB-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccn1 ZINC000621774523 370519779 /nfs/dbraw/zinc/51/97/79/370519779.db2.gz WFLNJOMUNDWTIV-TZMCWYRMSA-N 2 1 233.359 1.949 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCCCO1)C2 ZINC000621784750 370537819 /nfs/dbraw/zinc/53/78/19/370537819.db2.gz ULOIFBVVUPLEFZ-IHRRRGAJSA-N 2 1 238.375 1.759 20 0 BDADMP CCn1nccc1CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000621775167 370521852 /nfs/dbraw/zinc/52/18/52/370521852.db2.gz HWYVVWCAVTUHPE-ZDUSSCGKSA-N 2 1 238.379 1.409 20 0 BDADMP Cc1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)ccn1 ZINC000621775040 370521926 /nfs/dbraw/zinc/52/19/26/370521926.db2.gz DOPRDZSDBCNAGH-CYBMUJFWSA-N 2 1 219.332 1.607 20 0 BDADMP CCn1nccc1CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000621775370 370522807 /nfs/dbraw/zinc/52/28/07/370522807.db2.gz NBQWYIULHKTSBV-NWDGAFQWSA-N 2 1 236.363 1.115 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccnc(C)c2)CC[C@@H]1[NH3+] ZINC000621775347 370523237 /nfs/dbraw/zinc/52/32/37/370523237.db2.gz MQCPAHIKBWKTGK-KBPBESRZSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccn1 ZINC000621776285 370524032 /nfs/dbraw/zinc/52/40/32/370524032.db2.gz IANIWFSSOYNEAI-GFCCVEGCSA-N 2 1 221.348 1.853 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000621776290 370524171 /nfs/dbraw/zinc/52/41/71/370524171.db2.gz IBGSZWHVSOGUHL-WCQYABFASA-N 2 1 236.363 1.257 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781415 370530997 /nfs/dbraw/zinc/53/09/97/370530997.db2.gz DQOVXESFPVHOOA-ZIAGYGMSSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781415 370531000 /nfs/dbraw/zinc/53/10/00/370531000.db2.gz DQOVXESFPVHOOA-ZIAGYGMSSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781415 370531003 /nfs/dbraw/zinc/53/10/03/370531003.db2.gz DQOVXESFPVHOOA-ZIAGYGMSSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCCO1)C2 ZINC000621784123 370535517 /nfs/dbraw/zinc/53/55/17/370535517.db2.gz KHLZEESPXFLSRY-AVGNSLFASA-N 2 1 224.348 1.369 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000623823204 371111736 /nfs/dbraw/zinc/11/17/36/371111736.db2.gz RRKKEEWEAJXJDP-BJHJDKERSA-N 2 1 249.358 1.662 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000569230355 326396323 /nfs/dbraw/zinc/39/63/23/326396323.db2.gz VRVQGKOUWNKIIV-RDBSUJKOSA-N 2 1 242.407 2.000 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000624100810 371306966 /nfs/dbraw/zinc/30/69/66/371306966.db2.gz JOZOLLDQHBAEDZ-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000624100810 371306970 /nfs/dbraw/zinc/30/69/70/371306970.db2.gz JOZOLLDQHBAEDZ-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000624100810 371306973 /nfs/dbraw/zinc/30/69/73/371306973.db2.gz JOZOLLDQHBAEDZ-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000624100810 371306976 /nfs/dbraw/zinc/30/69/76/371306976.db2.gz JOZOLLDQHBAEDZ-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000624100810 371306980 /nfs/dbraw/zinc/30/69/80/371306980.db2.gz JOZOLLDQHBAEDZ-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000624122889 371322705 /nfs/dbraw/zinc/32/27/05/371322705.db2.gz ASKPIBKKCJFIQX-IYXRBSQSSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[NH+]1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624257625 371443464 /nfs/dbraw/zinc/44/34/64/371443464.db2.gz KPSAHUDLGOEQPW-UHFFFAOYSA-N 2 1 249.358 1.751 20 0 BDADMP Cc1noc(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000401799397 371821058 /nfs/dbraw/zinc/82/10/58/371821058.db2.gz LLOPVBBXEVHNQU-UHFFFAOYSA-N 2 1 234.303 1.357 20 0 BDADMP CCC[C@H](CCO)[NH2+]C1CC[NH+](C)CC1 ZINC000631196486 372227705 /nfs/dbraw/zinc/22/77/05/372227705.db2.gz LUWTYLCYVYKWNX-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)C(F)F)CC[N@H+]1C ZINC000631697700 372510289 /nfs/dbraw/zinc/51/02/89/372510289.db2.gz OOMGPTHPWFIGNX-OPRDCNLKSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000631821114 372595628 /nfs/dbraw/zinc/59/56/28/372595628.db2.gz PGQVHRMIVMVSBS-QWRGUYRKSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCO[C@H]1C ZINC000631822170 372599124 /nfs/dbraw/zinc/59/91/24/372599124.db2.gz UZFHFARMNHNHIY-YNEHKIRRSA-N 2 1 228.380 1.717 20 0 BDADMP Cn1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1=O ZINC000631834122 372618165 /nfs/dbraw/zinc/61/81/65/372618165.db2.gz PGMPMHFNERANQX-CYBMUJFWSA-N 2 1 249.358 1.089 20 0 BDADMP Cn1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1=O ZINC000631834122 372618169 /nfs/dbraw/zinc/61/81/69/372618169.db2.gz PGMPMHFNERANQX-CYBMUJFWSA-N 2 1 249.358 1.089 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631836722 372625621 /nfs/dbraw/zinc/62/56/21/372625621.db2.gz FTKHCKMVVAAXRH-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836797 372625800 /nfs/dbraw/zinc/62/58/00/372625800.db2.gz HBRXHNLQVOBOFE-PSASIEDQSA-N 2 1 209.293 1.010 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836797 372625803 /nfs/dbraw/zinc/62/58/03/372625803.db2.gz HBRXHNLQVOBOFE-PSASIEDQSA-N 2 1 209.293 1.010 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)nc1 ZINC000631837514 372627773 /nfs/dbraw/zinc/62/77/73/372627773.db2.gz CEWDDEQFVRYMPW-NWDGAFQWSA-N 2 1 219.332 1.417 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000631837336 372627996 /nfs/dbraw/zinc/62/79/96/372627996.db2.gz RBPUEPRHFAUDMV-GXFFZTMASA-N 2 1 219.332 1.417 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000631838916 372633333 /nfs/dbraw/zinc/63/33/33/372633333.db2.gz XAGHLCJSYKFIPX-CMPLNLGQSA-N 2 1 219.332 1.295 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839225 372636050 /nfs/dbraw/zinc/63/60/50/372636050.db2.gz CAWBGECRAPFXLO-MWLCHTKSSA-N 2 1 237.347 1.572 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H]1C[NH3+] ZINC000631841812 372639413 /nfs/dbraw/zinc/63/94/13/372639413.db2.gz QBOHKZUVOCQQDX-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H]1C[NH3+] ZINC000631841812 372639424 /nfs/dbraw/zinc/63/94/24/372639424.db2.gz QBOHKZUVOCQQDX-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP CCOCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888692 372674750 /nfs/dbraw/zinc/67/47/50/372674750.db2.gz YZCCZTWQRKGTFA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888692 372674759 /nfs/dbraw/zinc/67/47/59/372674759.db2.gz YZCCZTWQRKGTFA-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886229 372682901 /nfs/dbraw/zinc/68/29/01/372682901.db2.gz GAJFSZBAZIBHNG-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886229 372682905 /nfs/dbraw/zinc/68/29/05/372682905.db2.gz GAJFSZBAZIBHNG-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000168270042 205502606 /nfs/dbraw/zinc/50/26/06/205502606.db2.gz INTKSTNSBINPLL-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314639 206024131 /nfs/dbraw/zinc/02/41/31/206024131.db2.gz VZJKYLMENZVUMB-AVGNSLFASA-N 2 1 226.364 1.615 20 0 BDADMP CCC[NH+](C)CC(O)C[N@H+](C)CCC ZINC000194454747 206091188 /nfs/dbraw/zinc/09/11/88/206091188.db2.gz QPOXZUQETMACTD-UHFFFAOYSA-N 2 1 202.342 1.031 20 0 BDADMP OCC[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000124934116 183066105 /nfs/dbraw/zinc/06/61/05/183066105.db2.gz GZEGWYSXYBDMLW-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339661441 169063771 /nfs/dbraw/zinc/06/37/71/169063771.db2.gz VWESDXAVXOWKNS-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339661441 169063774 /nfs/dbraw/zinc/06/37/74/169063774.db2.gz VWESDXAVXOWKNS-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339661441 169063778 /nfs/dbraw/zinc/06/37/78/169063778.db2.gz VWESDXAVXOWKNS-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CCCN(CC[NH+](C)C)C(=O)C[N@@H+](C)C(C)C ZINC000104531389 169156107 /nfs/dbraw/zinc/15/61/07/169156107.db2.gz RKESNSJQYMJBCZ-UHFFFAOYSA-N 2 1 243.395 1.127 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994580 183290115 /nfs/dbraw/zinc/29/01/15/183290115.db2.gz KFQPOVRYBGCPDM-AWEZNQCLSA-N 2 1 232.327 1.578 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994580 183290118 /nfs/dbraw/zinc/29/01/18/183290118.db2.gz KFQPOVRYBGCPDM-AWEZNQCLSA-N 2 1 232.327 1.578 20 0 BDADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2C)CC1 ZINC000036901672 169188673 /nfs/dbraw/zinc/18/86/73/169188673.db2.gz GETOSDBLHKTRAM-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374429010 169204646 /nfs/dbraw/zinc/20/46/46/169204646.db2.gz NNFCPVMWZSBNDK-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP c1cc(CCC[N@@H+]2CCC[NH2+]CC2)ccn1 ZINC000071522027 183336135 /nfs/dbraw/zinc/33/61/35/183336135.db2.gz QAZSCEWHMNBOKV-UHFFFAOYSA-N 2 1 219.332 1.310 20 0 BDADMP c1cc(CCC[N@H+]2CCC[NH2+]CC2)ccn1 ZINC000071522027 183336137 /nfs/dbraw/zinc/33/61/37/183336137.db2.gz QAZSCEWHMNBOKV-UHFFFAOYSA-N 2 1 219.332 1.310 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269276482 169392314 /nfs/dbraw/zinc/39/23/14/169392314.db2.gz XJSHIKTXIUSNSR-SNVBAGLBSA-N 2 1 236.319 1.214 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182184007 134342601 /nfs/dbraw/zinc/34/26/01/134342601.db2.gz KWIKCIIRNFSLRB-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cc(NCC[N@@H+]2CCCC[C@H]2C)nc(C)n1 ZINC000338990677 383878500 /nfs/dbraw/zinc/87/85/00/383878500.db2.gz SIKUNOWXSYAUJJ-GFCCVEGCSA-N 2 1 248.374 1.802 20 0 BDADMP C[NH2+]CCC1CCN(CC(C)(C)[NH3+])CC1 ZINC000261564800 383910577 /nfs/dbraw/zinc/91/05/77/383910577.db2.gz CSDSHDNTOCDEMI-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1ccc(N2CCCC2)nc1 ZINC000569362965 383911320 /nfs/dbraw/zinc/91/13/20/383911320.db2.gz SYQZZGUFXVKYPS-UHFFFAOYSA-N 2 1 248.374 1.462 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc(N2CCCC2)nc1 ZINC000569362965 383911327 /nfs/dbraw/zinc/91/13/27/383911327.db2.gz SYQZZGUFXVKYPS-UHFFFAOYSA-N 2 1 248.374 1.462 20 0 BDADMP Cn1cncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112341359 383920861 /nfs/dbraw/zinc/92/08/61/383920861.db2.gz YUPRCUXCEZLMTA-VXGBXAGGSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1cncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112341359 383920864 /nfs/dbraw/zinc/92/08/64/383920864.db2.gz YUPRCUXCEZLMTA-VXGBXAGGSA-N 2 1 234.347 1.137 20 0 BDADMP CCC[NH+](CCC)CCCc1nc(C[NH3+])no1 ZINC000569361863 383904353 /nfs/dbraw/zinc/90/43/53/383904353.db2.gz XFILLBCVEJRLEF-UHFFFAOYSA-N 2 1 240.351 1.583 20 0 BDADMP Cc1cnc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000401131482 383980608 /nfs/dbraw/zinc/98/06/08/383980608.db2.gz QHZDDEONCDWVMB-OKILXGFUSA-N 2 1 245.370 1.392 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070911446 383959521 /nfs/dbraw/zinc/95/95/21/383959521.db2.gz SWQJYOPGFQXUOB-IUCAKERBSA-N 2 1 224.270 1.998 20 0 BDADMP CC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414293 383975345 /nfs/dbraw/zinc/97/53/45/383975345.db2.gz LWJZDVZDGZUYGZ-HZSPNIEDSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414293 383975362 /nfs/dbraw/zinc/97/53/62/383975362.db2.gz LWJZDVZDGZUYGZ-HZSPNIEDSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414293 383975369 /nfs/dbraw/zinc/97/53/69/383975369.db2.gz LWJZDVZDGZUYGZ-HZSPNIEDSA-N 2 1 236.359 1.382 20 0 BDADMP CC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414293 383975374 /nfs/dbraw/zinc/97/53/74/383975374.db2.gz LWJZDVZDGZUYGZ-HZSPNIEDSA-N 2 1 236.359 1.382 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643549176 384040427 /nfs/dbraw/zinc/04/04/27/384040427.db2.gz OXUOKQWMJIGKHA-WKSBVSIWSA-N 2 1 248.374 1.757 20 0 BDADMP Cc1noc(CCC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)n1 ZINC000517754724 384097517 /nfs/dbraw/zinc/09/75/17/384097517.db2.gz FNMYCAPWGRTPLC-MWLCHTKSSA-N 2 1 238.335 1.122 20 0 BDADMP Cc1noc(CCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)n1 ZINC000517754724 384097518 /nfs/dbraw/zinc/09/75/18/384097518.db2.gz FNMYCAPWGRTPLC-MWLCHTKSSA-N 2 1 238.335 1.122 20 0 BDADMP Cn1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000091008477 384094335 /nfs/dbraw/zinc/09/43/35/384094335.db2.gz DKPYPDVSXAYJMN-ZDUSSCGKSA-N 2 1 233.359 1.599 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CO1 ZINC000401846913 384121429 /nfs/dbraw/zinc/12/14/29/384121429.db2.gz BLUXDAQOEVPXJV-MROQNXINSA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@@H](COC)[NH2+]CCn1cc[nH+]c1C ZINC000070625586 384126455 /nfs/dbraw/zinc/12/64/55/384126455.db2.gz XFYYZIAOIOZGJY-NSHDSACASA-N 2 1 211.309 1.206 20 0 BDADMP COC1(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000310539228 384192252 /nfs/dbraw/zinc/19/22/52/384192252.db2.gz BQQDKHNOUITWAW-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000235440075 384230573 /nfs/dbraw/zinc/23/05/73/384230573.db2.gz OGTSCOZTQSQGSZ-ZDUSSCGKSA-N 2 1 220.316 1.563 20 0 BDADMP CC[N@H+](C)CCN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000132882180 384217321 /nfs/dbraw/zinc/21/73/21/384217321.db2.gz HQTRZPFBSBEPTJ-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000132882180 384217325 /nfs/dbraw/zinc/21/73/25/384217325.db2.gz HQTRZPFBSBEPTJ-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+](C)CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000132882180 384217332 /nfs/dbraw/zinc/21/73/32/384217332.db2.gz HQTRZPFBSBEPTJ-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP CC[NH+](C)CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132882180 384217335 /nfs/dbraw/zinc/21/73/35/384217335.db2.gz HQTRZPFBSBEPTJ-RYUDHWBXSA-N 2 1 225.380 1.153 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1CCC1 ZINC000133062823 384224327 /nfs/dbraw/zinc/22/43/27/384224327.db2.gz ZKPRMNYNWAFSMX-SNVBAGLBSA-N 2 1 207.321 1.970 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)COC)C1 ZINC000173914163 384284930 /nfs/dbraw/zinc/28/49/30/384284930.db2.gz QSLVCISOSCMGOI-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC000173914163 384284934 /nfs/dbraw/zinc/28/49/34/384284934.db2.gz QSLVCISOSCMGOI-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC000173914163 384284940 /nfs/dbraw/zinc/28/49/40/384284940.db2.gz QSLVCISOSCMGOI-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP Cc1ccc(C)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313364233 384295569 /nfs/dbraw/zinc/29/55/69/384295569.db2.gz XOVQUOQRWSVRPF-OAHLLOKOSA-N 2 1 248.370 1.853 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000566412115 384398415 /nfs/dbraw/zinc/39/84/15/384398415.db2.gz CCQVMAVRXWQPME-GHMZBOCLSA-N 2 1 228.336 1.140 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)sn1 ZINC000404476242 384406580 /nfs/dbraw/zinc/40/65/80/384406580.db2.gz WYIKLMGDQSPCGZ-SECBINFHSA-N 2 1 227.377 1.739 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598721 384386500 /nfs/dbraw/zinc/38/65/00/384386500.db2.gz SLUCFEFZDPBQQG-YPMHNXCESA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598721 384386506 /nfs/dbraw/zinc/38/65/06/384386506.db2.gz SLUCFEFZDPBQQG-YPMHNXCESA-N 2 1 204.317 1.823 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000556453766 384391289 /nfs/dbraw/zinc/39/12/89/384391289.db2.gz CLDZQYWLURAICC-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000556453766 384391294 /nfs/dbraw/zinc/39/12/94/384391294.db2.gz CLDZQYWLURAICC-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000146997501 384446968 /nfs/dbraw/zinc/44/69/68/384446968.db2.gz YPMWDTKLXRNJEY-HNNXBMFYSA-N 2 1 248.370 1.575 20 0 BDADMP CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000146997501 384446972 /nfs/dbraw/zinc/44/69/72/384446972.db2.gz YPMWDTKLXRNJEY-HNNXBMFYSA-N 2 1 248.370 1.575 20 0 BDADMP CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000146997501 384446979 /nfs/dbraw/zinc/44/69/79/384446979.db2.gz YPMWDTKLXRNJEY-HNNXBMFYSA-N 2 1 248.370 1.575 20 0 BDADMP CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000146997501 384446981 /nfs/dbraw/zinc/44/69/81/384446981.db2.gz YPMWDTKLXRNJEY-HNNXBMFYSA-N 2 1 248.370 1.575 20 0 BDADMP CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036228935 384435377 /nfs/dbraw/zinc/43/53/77/384435377.db2.gz LIRNVXUVBDBTHO-YOGCLGLASA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000335663074 384472202 /nfs/dbraw/zinc/47/22/02/384472202.db2.gz LFPMDVKKJPZGNC-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOC)[C@H](C)C1 ZINC000175720442 384475360 /nfs/dbraw/zinc/47/53/60/384475360.db2.gz DLSVTZIRRIHKAE-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOC)[C@H](C)C1 ZINC000175720442 384475363 /nfs/dbraw/zinc/47/53/63/384475363.db2.gz DLSVTZIRRIHKAE-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOC)[C@H](C)C1 ZINC000175720442 384475368 /nfs/dbraw/zinc/47/53/68/384475368.db2.gz DLSVTZIRRIHKAE-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609608 384477906 /nfs/dbraw/zinc/47/79/06/384477906.db2.gz HIAGPPAMAFRAHG-VHSXEESVSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224609608 384477909 /nfs/dbraw/zinc/47/79/09/384477909.db2.gz HIAGPPAMAFRAHG-VHSXEESVSA-N 2 1 200.351 1.163 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCO2)[C@H](C)C1 ZINC000449439360 384497796 /nfs/dbraw/zinc/49/77/96/384497796.db2.gz VEKWWMHJTALQDO-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000647176654 384498988 /nfs/dbraw/zinc/49/89/88/384498988.db2.gz SMFIUEYWWOVVBH-AAEUAGOBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@]1(C[N@@H+]2CCC[C@@H](OC(F)F)C2)CC[NH2+]C1 ZINC000647518412 384501275 /nfs/dbraw/zinc/50/12/75/384501275.db2.gz HKIJKVSMIRHZOV-ZYHUDNBSSA-N 2 1 248.317 1.690 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H](OC(F)F)C2)CC[NH2+]C1 ZINC000647518412 384501277 /nfs/dbraw/zinc/50/12/77/384501277.db2.gz HKIJKVSMIRHZOV-ZYHUDNBSSA-N 2 1 248.317 1.690 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000151129802 384542339 /nfs/dbraw/zinc/54/23/39/384542339.db2.gz CWSZBOKVOFBBDZ-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC000643052370 384559695 /nfs/dbraw/zinc/55/96/95/384559695.db2.gz YGSVBOOIEOIESN-VHSXEESVSA-N 2 1 245.330 1.379 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCF)CC[N@@H+]1C ZINC000151374738 384567683 /nfs/dbraw/zinc/56/76/83/384567683.db2.gz MMVKDWRESAMAER-GHMZBOCLSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCF)CC[N@H+]1C ZINC000151374738 384567690 /nfs/dbraw/zinc/56/76/90/384567690.db2.gz MMVKDWRESAMAER-GHMZBOCLSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCCF)CC[NH+]1C ZINC000151374738 384567694 /nfs/dbraw/zinc/56/76/94/384567694.db2.gz MMVKDWRESAMAER-GHMZBOCLSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCCF)CC[NH+]1C ZINC000151374738 384567702 /nfs/dbraw/zinc/56/77/02/384567702.db2.gz MMVKDWRESAMAER-GHMZBOCLSA-N 2 1 202.317 1.761 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000300359196 384607089 /nfs/dbraw/zinc/60/70/89/384607089.db2.gz GOLXBINVIQAYIH-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CCCC[N@@H+](CCC[NH2+]C)CCOC ZINC000336650771 384608681 /nfs/dbraw/zinc/60/86/81/384608681.db2.gz PJPLKFNUBABGAM-UHFFFAOYSA-N 2 1 202.342 1.344 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000154351013 384610704 /nfs/dbraw/zinc/61/07/04/384610704.db2.gz HGWCZQSNAUHRKR-MJBXVCDLSA-N 2 1 240.391 1.467 20 0 BDADMP CSCCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000300867122 384615114 /nfs/dbraw/zinc/61/51/14/384615114.db2.gz QCOIPHMYJMJLKO-LLVKDONJSA-N 2 1 216.394 1.671 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCC(C)([NH3+])CC2)c1 ZINC000647530705 384624054 /nfs/dbraw/zinc/62/40/54/384624054.db2.gz ASIYIAXECDBOAC-UHFFFAOYSA-N 2 1 249.358 1.712 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCCCCC1 ZINC000037885822 384624689 /nfs/dbraw/zinc/62/46/89/384624689.db2.gz NCGUMCQEKCTARN-GFCCVEGCSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000309803728 384626807 /nfs/dbraw/zinc/62/68/07/384626807.db2.gz RQTITTXLHOGSLX-WTIISPKJSA-N 2 1 226.364 1.077 20 0 BDADMP Cc1cc[nH+]c(N(C)CC(C)(C)C[NH3+])c1 ZINC000086638572 384668196 /nfs/dbraw/zinc/66/81/96/384668196.db2.gz YXBMUPILFPMTNX-UHFFFAOYSA-N 2 1 207.321 1.811 20 0 BDADMP CC(C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000086662953 384670959 /nfs/dbraw/zinc/67/09/59/384670959.db2.gz PPTDBXSUPZFTNQ-UHFFFAOYSA-N 2 1 207.321 1.559 20 0 BDADMP CO[C@@H](C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309823262 384638644 /nfs/dbraw/zinc/63/86/44/384638644.db2.gz GTRITHFZMQTXRI-NSHDSACASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400735970 384641322 /nfs/dbraw/zinc/64/13/22/384641322.db2.gz RRVRCXAQFAVIGC-GCHJQGSQSA-N 2 1 212.337 1.282 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000049262554 384675127 /nfs/dbraw/zinc/67/51/27/384675127.db2.gz CNNOVNFCSBQOGR-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1cccs1 ZINC000086441585 384650836 /nfs/dbraw/zinc/65/08/36/384650836.db2.gz MQAQLRMFKVFMHV-UHFFFAOYSA-N 2 1 212.362 1.832 20 0 BDADMP CC[N@H+](CC[NH2+]CC(C)(C)COC)C(C)C ZINC000309620812 384659505 /nfs/dbraw/zinc/65/95/05/384659505.db2.gz FFAYBATZJAVDDI-UHFFFAOYSA-N 2 1 230.396 1.979 20 0 BDADMP CC[N@@H+](CC[NH2+]CC(C)(C)COC)C(C)C ZINC000309620812 384659516 /nfs/dbraw/zinc/65/95/16/384659516.db2.gz FFAYBATZJAVDDI-UHFFFAOYSA-N 2 1 230.396 1.979 20 0 BDADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309885095 384691133 /nfs/dbraw/zinc/69/11/33/384691133.db2.gz XRFCBWKWMYPXQO-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2OC)CC1 ZINC000050368963 384699716 /nfs/dbraw/zinc/69/97/16/384699716.db2.gz XDXCGSTYULHONR-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309929955 384730237 /nfs/dbraw/zinc/73/02/37/384730237.db2.gz XLDPRLKNKDWMGV-YNEHKIRRSA-N 2 1 227.396 1.256 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(O)CC2)CC1 ZINC000309939388 384735004 /nfs/dbraw/zinc/73/50/04/384735004.db2.gz BEGMQMOZBOIKIS-UHFFFAOYSA-N 2 1 224.348 1.141 20 0 BDADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309958574 384744672 /nfs/dbraw/zinc/74/46/72/384744672.db2.gz JXQJRZLVWVEMIZ-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000647547987 384749963 /nfs/dbraw/zinc/74/99/63/384749963.db2.gz QFSJTMDDAPFTEU-STQMWFEESA-N 3 1 237.391 1.250 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300396138 384751926 /nfs/dbraw/zinc/75/19/26/384751926.db2.gz ZOFMIKFPLXVOGC-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)n1 ZINC000647551309 384753415 /nfs/dbraw/zinc/75/34/15/384753415.db2.gz GNEKNJOZTXFLBA-BXUZGUMPSA-N 2 1 233.359 1.520 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000647552118 384756432 /nfs/dbraw/zinc/75/64/32/384756432.db2.gz GRFMCPRHQLEITN-AHPWVWPOSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc2c(s1)CCC2 ZINC000647552356 384758466 /nfs/dbraw/zinc/75/84/66/384758466.db2.gz UGDBLKZNQDRECE-RKDXNWHRSA-N 2 1 239.388 1.847 20 0 BDADMP CC[NH+](CC)[C@H](CNC(N)=[NH2+])c1ccccc1 ZINC000053278652 384780280 /nfs/dbraw/zinc/78/02/80/384780280.db2.gz YOSLMOCZDBBHMJ-GFCCVEGCSA-N 2 1 234.347 1.553 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1(C)C ZINC000361926697 384827207 /nfs/dbraw/zinc/82/72/07/384827207.db2.gz REDTYGHQGJDYNS-QNWHQSFQSA-N 2 1 240.391 1.730 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000361926697 384827213 /nfs/dbraw/zinc/82/72/13/384827213.db2.gz REDTYGHQGJDYNS-QNWHQSFQSA-N 2 1 240.391 1.730 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)CC[N@@H+]1C ZINC000300415249 384787469 /nfs/dbraw/zinc/78/74/69/384787469.db2.gz UDAZZPVCYSWMMR-RUZUBIRVSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)CC[N@H+]1C ZINC000300415249 384787477 /nfs/dbraw/zinc/78/74/77/384787477.db2.gz UDAZZPVCYSWMMR-RUZUBIRVSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000306589501 384787473 /nfs/dbraw/zinc/78/74/73/384787473.db2.gz XCCTXTAKJXLJNV-CHWFTXMASA-N 2 1 214.378 1.611 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163398316 384805156 /nfs/dbraw/zinc/80/51/56/384805156.db2.gz MENFRLXNJHVESE-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163398316 384805157 /nfs/dbraw/zinc/80/51/57/384805157.db2.gz MENFRLXNJHVESE-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375661829 384810283 /nfs/dbraw/zinc/81/02/83/384810283.db2.gz WTAFJBQHZUYNGF-OLZOCXBDSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375661829 384810288 /nfs/dbraw/zinc/81/02/88/384810288.db2.gz WTAFJBQHZUYNGF-OLZOCXBDSA-N 2 1 248.374 1.445 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nccn1C ZINC000423363568 384842971 /nfs/dbraw/zinc/84/29/71/384842971.db2.gz AAOMFXDPWWNQJU-SRVKXCTJSA-N 2 1 236.363 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH3+] ZINC000398220691 384851312 /nfs/dbraw/zinc/85/13/12/384851312.db2.gz WBSQUPZULSSWSX-HIFRSBDPSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(C2CC2)CC1 ZINC000310197922 384888800 /nfs/dbraw/zinc/88/88/00/384888800.db2.gz BGZLNXOXTLIHGI-LBPRGKRZSA-N 2 1 239.407 1.543 20 0 BDADMP Cc1cc(C)c(C[N@@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000258846117 384948965 /nfs/dbraw/zinc/94/89/65/384948965.db2.gz DWNVPZMRXULULT-CQSZACIVSA-N 2 1 236.359 1.363 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+]CCC1CCCCC1 ZINC000258934976 384950441 /nfs/dbraw/zinc/95/04/41/384950441.db2.gz OYLDHZXVQCGWFO-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000259005214 384955370 /nfs/dbraw/zinc/95/53/70/384955370.db2.gz NJFJIADWZYUQDD-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000259005214 384955372 /nfs/dbraw/zinc/95/53/72/384955372.db2.gz NJFJIADWZYUQDD-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000259005214 384955378 /nfs/dbraw/zinc/95/53/78/384955378.db2.gz NJFJIADWZYUQDD-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC[NH2+]CC1 ZINC000336266208 384903845 /nfs/dbraw/zinc/90/38/45/384903845.db2.gz ICVFAHLXLMMSMJ-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC[NH2+]CC1 ZINC000336266208 384903853 /nfs/dbraw/zinc/90/38/53/384903853.db2.gz ICVFAHLXLMMSMJ-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nc1 ZINC000156600158 384904230 /nfs/dbraw/zinc/90/42/30/384904230.db2.gz AHPGTKFGQKDJNP-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP CC[C@@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000644525339 384937960 /nfs/dbraw/zinc/93/79/60/384937960.db2.gz QSLRIZPQJDKLDW-ZYHUDNBSSA-N 2 1 225.336 1.188 20 0 BDADMP C[C@@H](O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000566230500 384967290 /nfs/dbraw/zinc/96/72/90/384967290.db2.gz HVQIVWQHFIMPOO-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCC1(C)C)C1CC1 ZINC000310433829 385054392 /nfs/dbraw/zinc/05/43/92/385054392.db2.gz TZVMTSKWBJZITE-STQMWFEESA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCC1(C)C)C1CC1 ZINC000310433829 385054400 /nfs/dbraw/zinc/05/44/00/385054400.db2.gz TZVMTSKWBJZITE-STQMWFEESA-N 2 1 240.391 1.610 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000404781014 385065051 /nfs/dbraw/zinc/06/50/51/385065051.db2.gz NGRUAUHIFFYYOO-VXGBXAGGSA-N 2 1 247.342 1.001 20 0 BDADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000310545892 385109961 /nfs/dbraw/zinc/10/99/61/385109961.db2.gz DQLSTOOEGHSQBG-BETUJISGSA-N 2 1 231.343 1.513 20 0 BDADMP CC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000644669323 385086673 /nfs/dbraw/zinc/08/66/73/385086673.db2.gz YINHOGFKYRJXNZ-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000310486017 385088421 /nfs/dbraw/zinc/08/84/21/385088421.db2.gz DXRZHMLBGLGBSG-KWCYVHTRSA-N 2 1 240.391 1.874 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188817955 385094436 /nfs/dbraw/zinc/09/44/36/385094436.db2.gz FBUJSBAXUTXKJR-AAEUAGOBSA-N 2 1 249.358 1.398 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000305161631 385201695 /nfs/dbraw/zinc/20/16/95/385201695.db2.gz XFGFYVWIPYTKKR-KWCYVHTRSA-N 2 1 242.407 1.713 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000178117535 385184760 /nfs/dbraw/zinc/18/47/60/385184760.db2.gz YPCJOOZUGQEMBP-SYQHCUMBSA-N 2 1 242.407 1.712 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000305114503 385188525 /nfs/dbraw/zinc/18/85/25/385188525.db2.gz FEAPBEXXXUZJRN-MGPQQGTHSA-N 2 1 242.407 1.715 20 0 BDADMP CN(C)c1nc(NC[C@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000227666527 385190577 /nfs/dbraw/zinc/19/05/77/385190577.db2.gz YOFIKHHZOJYQAC-QWRGUYRKSA-N 2 1 249.362 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccn1 ZINC000252710003 385191447 /nfs/dbraw/zinc/19/14/47/385191447.db2.gz FKDGXTVVPQPDFF-TZMCWYRMSA-N 2 1 233.359 1.554 20 0 BDADMP CCN(CC)C[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422710487 385194915 /nfs/dbraw/zinc/19/49/15/385194915.db2.gz FXRATIZSCSLZHE-SRVKXCTJSA-N 2 1 215.385 1.432 20 0 BDADMP FCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308829311 385197201 /nfs/dbraw/zinc/19/72/01/385197201.db2.gz IXJVEZKPHYLQNQ-NWDGAFQWSA-N 2 1 214.328 1.810 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157333793 385147743 /nfs/dbraw/zinc/14/77/43/385147743.db2.gz FIXMLAZIOWKCPC-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2CC23CC3)CC1 ZINC000424335587 385151679 /nfs/dbraw/zinc/15/16/79/385151679.db2.gz ZTCITKHBYYHSPC-LBPRGKRZSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@]1(C)CCCO1 ZINC000559767192 385164905 /nfs/dbraw/zinc/16/49/05/385164905.db2.gz QWXYEGPKTVCWID-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308868732 385225253 /nfs/dbraw/zinc/22/52/53/385225253.db2.gz HSMBNZUQNRDSTG-BETUJISGSA-N 2 1 210.365 1.964 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234457 385302802 /nfs/dbraw/zinc/30/28/02/385302802.db2.gz VBKYCHRLJVRKNW-FRRDWIJNSA-N 2 1 240.416 1.956 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000167307918 385309144 /nfs/dbraw/zinc/30/91/44/385309144.db2.gz GCDDMOIVLUJPSD-WDEREUQCSA-N 2 1 225.336 1.452 20 0 BDADMP C1C[NH2+]C[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000220671400 385262088 /nfs/dbraw/zinc/26/20/88/385262088.db2.gz ZCRQHPCJGOJUFS-UWVGGRQHSA-N 2 1 200.351 1.224 20 0 BDADMP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000299892172 385270736 /nfs/dbraw/zinc/27/07/36/385270736.db2.gz PTIUQMLIXIWWRY-VOAKCMCISA-N 2 1 224.348 1.116 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228151814 385349011 /nfs/dbraw/zinc/34/90/11/385349011.db2.gz CUHYHOOCBKVKES-QWRGUYRKSA-N 2 1 235.331 1.265 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCC[NH3+] ZINC000336707100 385381209 /nfs/dbraw/zinc/38/12/09/385381209.db2.gz RQNLHBWNTRNUCV-VXGBXAGGSA-N 3 1 215.385 1.434 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCC[NH3+] ZINC000336707100 385381213 /nfs/dbraw/zinc/38/12/13/385381213.db2.gz RQNLHBWNTRNUCV-VXGBXAGGSA-N 3 1 215.385 1.434 20 0 BDADMP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]cc1Cl ZINC000178600379 385396405 /nfs/dbraw/zinc/39/64/05/385396405.db2.gz BFKZNUVPDFXCND-NSHDSACASA-N 2 1 243.738 1.460 20 0 BDADMP CC[C@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000309165325 385444899 /nfs/dbraw/zinc/44/48/99/385444899.db2.gz ISRMDVLCGBCYMW-NWDGAFQWSA-N 2 1 207.321 1.970 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000194349454 385430494 /nfs/dbraw/zinc/43/04/94/385430494.db2.gz KOAYODIMJQGWLR-GFCCVEGCSA-N 2 1 246.358 1.558 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000194349454 385430499 /nfs/dbraw/zinc/43/04/99/385430499.db2.gz KOAYODIMJQGWLR-GFCCVEGCSA-N 2 1 246.358 1.558 20 0 BDADMP CC[C@H](NCC[N@@H+](C)CC)c1nccn1C ZINC000182634045 385460881 /nfs/dbraw/zinc/46/08/81/385460881.db2.gz WAQQNLUCUQEANF-NSHDSACASA-N 2 1 224.352 1.413 20 0 BDADMP CC[C@H]([NH2+]CCN(C)CC)c1nccn1C ZINC000182634045 385460886 /nfs/dbraw/zinc/46/08/86/385460886.db2.gz WAQQNLUCUQEANF-NSHDSACASA-N 2 1 224.352 1.413 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[N@H+](C)C1CCCC1 ZINC000309297738 385516109 /nfs/dbraw/zinc/51/61/09/385516109.db2.gz XLOBXOBQGWDTGI-LBPRGKRZSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000309297738 385516112 /nfs/dbraw/zinc/51/61/12/385516112.db2.gz XLOBXOBQGWDTGI-LBPRGKRZSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@@H]([NH3+])CN1CCC[N@H+](C2CCCC2)CC1 ZINC000336406212 385488961 /nfs/dbraw/zinc/48/89/61/385488961.db2.gz LDTIYDRPIXYRLI-GFCCVEGCSA-N 2 1 225.380 1.284 20 0 BDADMP [NH3+]C[C@@H]1CN(c2cc[nH+]c3ccsc32)CCO1 ZINC000643027031 385528921 /nfs/dbraw/zinc/52/89/21/385528921.db2.gz PYOGGNWBJYFZHJ-SECBINFHSA-N 2 1 249.339 1.460 20 0 BDADMP C[C@H](CCC[NH3+])Nc1nc(N2CCCC2)cc[nH+]1 ZINC000643045273 385548786 /nfs/dbraw/zinc/54/87/86/385548786.db2.gz CMZTWTXTTSBRHJ-LLVKDONJSA-N 2 1 249.362 1.616 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000309339913 385540485 /nfs/dbraw/zinc/54/04/85/385540485.db2.gz JYPWLBHPMUXMSW-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000309339913 385540487 /nfs/dbraw/zinc/54/04/87/385540487.db2.gz JYPWLBHPMUXMSW-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000309353421 385548940 /nfs/dbraw/zinc/54/89/40/385548940.db2.gz NOIVQXISNMBDQG-NSHDSACASA-N 3 1 227.396 1.434 20 0 BDADMP C[N@H+](CCSc1ccccc1)C[C@H](O)C[NH3+] ZINC000309396348 385560968 /nfs/dbraw/zinc/56/09/68/385560968.db2.gz VJRMZLPWPXQHKA-LLVKDONJSA-N 2 1 240.372 1.030 20 0 BDADMP C[N@@H+](CCSc1ccccc1)C[C@H](O)C[NH3+] ZINC000309396348 385560969 /nfs/dbraw/zinc/56/09/69/385560969.db2.gz VJRMZLPWPXQHKA-LLVKDONJSA-N 2 1 240.372 1.030 20 0 BDADMP CCc1cc(NC[C@@H](C)C[NH2+]C)nc(C)[nH+]1 ZINC000168362426 385606651 /nfs/dbraw/zinc/60/66/51/385606651.db2.gz ABSFNJKZKLNPEC-VIFPVBQESA-N 2 1 222.336 1.615 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250614386 385604874 /nfs/dbraw/zinc/60/48/74/385604874.db2.gz AWBOTEDFUAKKNQ-KBPBESRZSA-N 2 1 233.359 1.742 20 0 BDADMP CCc1ccc(C[NH2+]CCC[NH+](C)C)cn1 ZINC000309489683 385618281 /nfs/dbraw/zinc/61/82/81/385618281.db2.gz WRAAHKWIMNPSME-UHFFFAOYSA-N 2 1 221.348 1.685 20 0 BDADMP CCCCOCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645433 385625738 /nfs/dbraw/zinc/62/57/38/385625738.db2.gz IDMIUYIQHQEQPD-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108283662 385629252 /nfs/dbraw/zinc/62/92/52/385629252.db2.gz IXHHFCDZORYJGS-CHWSQXEVSA-N 2 1 234.347 1.435 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000108283662 385629259 /nfs/dbraw/zinc/62/92/59/385629259.db2.gz IXHHFCDZORYJGS-CHWSQXEVSA-N 2 1 234.347 1.435 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000336478600 385633962 /nfs/dbraw/zinc/63/39/62/385633962.db2.gz UAHBIARNEINHPW-SKDRFNHKSA-N 2 1 236.363 1.586 20 0 BDADMP CSCCCN(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309484301 385609836 /nfs/dbraw/zinc/60/98/36/385609836.db2.gz WPBAGCCAYQXHQD-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCCN(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309484301 385609843 /nfs/dbraw/zinc/60/98/43/385609843.db2.gz WPBAGCCAYQXHQD-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309484301 385609848 /nfs/dbraw/zinc/60/98/48/385609848.db2.gz WPBAGCCAYQXHQD-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309484301 385609852 /nfs/dbraw/zinc/60/98/52/385609852.db2.gz WPBAGCCAYQXHQD-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309484301 385609857 /nfs/dbraw/zinc/60/98/57/385609857.db2.gz WPBAGCCAYQXHQD-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CSCCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309484301 385609861 /nfs/dbraw/zinc/60/98/61/385609861.db2.gz WPBAGCCAYQXHQD-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CO[C@](C)(C[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000336682834 385641448 /nfs/dbraw/zinc/64/14/48/385641448.db2.gz YRWJMWPZCUDVCA-CYBMUJFWSA-N 2 1 226.364 1.485 20 0 BDADMP c1ccc([C@@H]2C[C@@H]2[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000643367030 385655125 /nfs/dbraw/zinc/65/51/25/385655125.db2.gz YCTDPYKCMMDWBS-XGUBFFRZSA-N 2 1 228.339 1.694 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1C ZINC000184530607 385676431 /nfs/dbraw/zinc/67/64/31/385676431.db2.gz VMSAFADAAIQHOA-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)CCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336685317 385686870 /nfs/dbraw/zinc/68/68/70/385686870.db2.gz FWBFWOSNBREINX-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336685317 385686873 /nfs/dbraw/zinc/68/68/73/385686873.db2.gz FWBFWOSNBREINX-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309567738 385702980 /nfs/dbraw/zinc/70/29/80/385702980.db2.gz MRXMHTPKIKEBKT-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414851819 385666559 /nfs/dbraw/zinc/66/65/59/385666559.db2.gz VFMZKFZZWGPJIP-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC000414861805 385747774 /nfs/dbraw/zinc/74/77/74/385747774.db2.gz GKFSYMGBLJGENX-AGIUHOORSA-N 2 1 226.364 1.532 20 0 BDADMP CC[N@@H+](C[C@H](O)CN(C)C1CC1)C(C)C ZINC000336699049 385754461 /nfs/dbraw/zinc/75/44/61/385754461.db2.gz OTPZAXSQSJZJNE-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000336699049 385754466 /nfs/dbraw/zinc/75/44/66/385754466.db2.gz OTPZAXSQSJZJNE-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000336699049 385754467 /nfs/dbraw/zinc/75/44/67/385754467.db2.gz OTPZAXSQSJZJNE-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000336699049 385754471 /nfs/dbraw/zinc/75/44/71/385754471.db2.gz OTPZAXSQSJZJNE-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000336699049 385754473 /nfs/dbraw/zinc/75/44/73/385754473.db2.gz OTPZAXSQSJZJNE-GFCCVEGCSA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000309628607 385756153 /nfs/dbraw/zinc/75/61/53/385756153.db2.gz HELKCSNNIMSIPE-FRRDWIJNSA-N 2 1 226.364 1.077 20 0 BDADMP CCn1nc(C)c(C[NH2+]CCC[NH2+]C)c1C ZINC000414863578 385757709 /nfs/dbraw/zinc/75/77/09/385757709.db2.gz XQBYYUYDICLNMF-UHFFFAOYSA-N 2 1 224.352 1.219 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1CCCOC1 ZINC000309646549 385762479 /nfs/dbraw/zinc/76/24/79/385762479.db2.gz MNBWJBXQODCGAS-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000309678205 385782866 /nfs/dbraw/zinc/78/28/66/385782866.db2.gz YPJUAKSTNSXSAV-ZDUSSCGKSA-N 2 1 224.348 1.265 20 0 BDADMP CO[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000336711250 385800722 /nfs/dbraw/zinc/80/07/22/385800722.db2.gz PQPMZUYIONZPMC-QWHCGFSZSA-N 2 1 237.347 1.739 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414949865 385814557 /nfs/dbraw/zinc/81/45/57/385814557.db2.gz GYBGMZPNOITHJT-NSHDSACASA-N 2 1 230.315 1.309 20 0 BDADMP COc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414951849 385821648 /nfs/dbraw/zinc/82/16/48/385821648.db2.gz QEYBWTOSAYSFAB-AAEUAGOBSA-N 2 1 234.343 1.925 20 0 BDADMP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000521434458 385829801 /nfs/dbraw/zinc/82/98/01/385829801.db2.gz ZKPLHHSKPCHWGM-SRVKXCTJSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cn[nH]c1 ZINC000271497796 385834367 /nfs/dbraw/zinc/83/43/67/385834367.db2.gz LTUDHXYSILRXHQ-SCVCMEIPSA-N 2 1 222.336 1.543 20 0 BDADMP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cn[nH]c1 ZINC000271497796 385834368 /nfs/dbraw/zinc/83/43/68/385834368.db2.gz LTUDHXYSILRXHQ-SCVCMEIPSA-N 2 1 222.336 1.543 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C)CC[NH2+]1 ZINC000414955416 385836253 /nfs/dbraw/zinc/83/62/53/385836253.db2.gz UGPCPWJTMVDAMA-JSGCOSHPSA-N 2 1 247.386 1.983 20 0 BDADMP C[C@@H](C[NH2+]Cc1cncn1C)C[NH+]1CCCC1 ZINC000112341577 385839751 /nfs/dbraw/zinc/83/97/51/385839751.db2.gz HJCDQQOPOIYYLI-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@@H]2CCO2)CC[N@@H+]1C ZINC000638115487 385850448 /nfs/dbraw/zinc/85/04/48/385850448.db2.gz DDWKGGWHPBKKEQ-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@@H]2CCO2)CC[N@H+]1C ZINC000638115487 385850450 /nfs/dbraw/zinc/85/04/50/385850450.db2.gz DDWKGGWHPBKKEQ-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCC[C@@H]2CCO2)CC[NH+]1C ZINC000638115487 385850454 /nfs/dbraw/zinc/85/04/54/385850454.db2.gz DDWKGGWHPBKKEQ-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[C@@H]2CCO2)CC[NH+]1C ZINC000638115487 385850457 /nfs/dbraw/zinc/85/04/57/385850457.db2.gz DDWKGGWHPBKKEQ-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP FCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336708138 385793766 /nfs/dbraw/zinc/79/37/66/385793766.db2.gz SFZOYSQIGCXSMR-NEPJUHHUSA-N 2 1 214.328 1.668 20 0 BDADMP CC[C@H]([NH3+])CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000294712594 385886215 /nfs/dbraw/zinc/88/62/15/385886215.db2.gz BNPJMHFQBIMJBI-STQMWFEESA-N 2 1 249.358 1.143 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414874289 385886930 /nfs/dbraw/zinc/88/69/30/385886930.db2.gz SECDKWKCFIWWHC-CHWSQXEVSA-N 2 1 228.380 1.779 20 0 BDADMP CCCCOCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122363309 385913835 /nfs/dbraw/zinc/91/38/35/385913835.db2.gz JYSOKKVUVOIJRY-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP CC[NH+](CC)CCC[N@H+](CCOC)C1CC1 ZINC000338233294 385921150 /nfs/dbraw/zinc/92/11/50/385921150.db2.gz JAQXUFQTINMCFF-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CCOC)C1CC1 ZINC000338233294 385921160 /nfs/dbraw/zinc/92/11/60/385921160.db2.gz JAQXUFQTINMCFF-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CO[C@@H](C)C[N@@H+](CC1CC[NH2+]CC1)C(C)C ZINC000160946151 385925485 /nfs/dbraw/zinc/92/54/85/385925485.db2.gz RMAJQBJXXOZXGH-LBPRGKRZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000271910506 385859489 /nfs/dbraw/zinc/85/94/89/385859489.db2.gz XXSVWNBYWHEOBS-AWEZNQCLSA-N 2 1 248.374 1.723 20 0 BDADMP Cn1cnc2cc(C[NH2+]CC3([NH3+])CCC3)ccc21 ZINC000414872376 385863452 /nfs/dbraw/zinc/86/34/52/385863452.db2.gz FVTWDOYLSIVTSO-UHFFFAOYSA-N 2 1 244.342 1.544 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000084126086 385864521 /nfs/dbraw/zinc/86/45/21/385864521.db2.gz VEEVBUFKYYICQY-CYBMUJFWSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337995464 385871819 /nfs/dbraw/zinc/87/18/19/385871819.db2.gz MVKLSCSBIBSVCZ-JHJVBQTASA-N 2 1 246.370 1.417 20 0 BDADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000338021514 385875988 /nfs/dbraw/zinc/87/59/88/385875988.db2.gz PTBCFTPQNDWLPF-ZDUSSCGKSA-N 2 1 237.347 1.596 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000414971647 385976397 /nfs/dbraw/zinc/97/63/97/385976397.db2.gz IMBFCRIDQDPLMT-RFGFWPKPSA-N 2 1 239.407 1.304 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251092255 385934347 /nfs/dbraw/zinc/93/43/47/385934347.db2.gz INDFFHNGVQBPEB-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CC[C@H]1C[N@@H+](CCC[NH+](CC)CC)C[C@@H]1O ZINC000338281814 385946124 /nfs/dbraw/zinc/94/61/24/385946124.db2.gz UUERCYVASRXGTR-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)[C@H]1C[C@@H]1C ZINC000414075132 385948016 /nfs/dbraw/zinc/94/80/16/385948016.db2.gz XKDHJOCPQRCINS-IHRRRGAJSA-N 2 1 242.407 1.979 20 0 BDADMP C(CN1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251415636 385954810 /nfs/dbraw/zinc/95/48/10/385954810.db2.gz RPGQEPPOLHEAMO-KBPBESRZSA-N 2 1 237.391 1.156 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C[C@@H](C)C1 ZINC000414969338 385964022 /nfs/dbraw/zinc/96/40/22/385964022.db2.gz FBBKCMSKNQYSJO-ZOBORPQBSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]1CC([NH2+]C[C@@H]2C[NH2+]CCN2C)C[C@H](C)C1 ZINC000414969335 385965029 /nfs/dbraw/zinc/96/50/29/385965029.db2.gz FBBKCMSKNQYSJO-BZPMIXESSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012374 385968555 /nfs/dbraw/zinc/96/85/55/385968555.db2.gz YYEDQMGYMHXRBV-OLZOCXBDSA-N 3 1 239.407 1.578 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]CC1CCCCCC1 ZINC000414971096 385968929 /nfs/dbraw/zinc/96/89/29/385968929.db2.gz VXLCNPZBARYNIO-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012180 385969600 /nfs/dbraw/zinc/96/96/00/385969600.db2.gz WYJPZTDUSNHNNM-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CN(C)C[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000335012180 385969611 /nfs/dbraw/zinc/96/96/11/385969611.db2.gz WYJPZTDUSNHNNM-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@H+](CC[NH2+][C@H]1CCOC[C@H]1C)C(C)C ZINC000336770036 385997441 /nfs/dbraw/zinc/99/74/41/385997441.db2.gz SSFCAUVHQDKQLC-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H]1CCOC[C@H]1C)C(C)C ZINC000336770036 385997449 /nfs/dbraw/zinc/99/74/49/385997449.db2.gz SSFCAUVHQDKQLC-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CN(CCC[NH+]1CCCC1)C[C@H]1CCC[N@H+]1C ZINC000643256280 386000223 /nfs/dbraw/zinc/00/02/23/386000223.db2.gz SUMKYCYPJLCCTA-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[N@H+](Cc1cc(C)no1)[C@@H]1CCC[NH2+]CC1 ZINC000345194310 386056382 /nfs/dbraw/zinc/05/63/82/386056382.db2.gz XGKKFZMPMSFAFC-GFCCVEGCSA-N 2 1 237.347 1.947 20 0 BDADMP CC[N@@H+](Cc1cc(C)no1)[C@@H]1CCC[NH2+]CC1 ZINC000345194310 386056387 /nfs/dbraw/zinc/05/63/87/386056387.db2.gz XGKKFZMPMSFAFC-GFCCVEGCSA-N 2 1 237.347 1.947 20 0 BDADMP CCCC[N@@H+](CCO)CCCC1CC[NH2+]CC1 ZINC000647869525 386020702 /nfs/dbraw/zinc/02/07/02/386020702.db2.gz MHDYDIYLJMQORB-UHFFFAOYSA-N 2 1 242.407 1.861 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCC(F)(F)C1 ZINC000336753423 386023254 /nfs/dbraw/zinc/02/32/54/386023254.db2.gz WHUOGMQLKARIIQ-UWVGGRQHSA-N 2 1 236.306 1.063 20 0 BDADMP Cc1ncc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)o1 ZINC000414187190 386028271 /nfs/dbraw/zinc/02/82/71/386028271.db2.gz QGGJLFHCBYSNSD-BFHYXJOUSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)o1 ZINC000414187190 386028276 /nfs/dbraw/zinc/02/82/76/386028276.db2.gz QGGJLFHCBYSNSD-BFHYXJOUSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)o1 ZINC000414187190 386028281 /nfs/dbraw/zinc/02/82/81/386028281.db2.gz QGGJLFHCBYSNSD-BFHYXJOUSA-N 2 1 249.358 1.945 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414196655 386035719 /nfs/dbraw/zinc/03/57/19/386035719.db2.gz BCNHORNTYRARDW-XQHKEYJVSA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414196655 386035721 /nfs/dbraw/zinc/03/57/21/386035721.db2.gz BCNHORNTYRARDW-XQHKEYJVSA-N 2 1 226.364 1.626 20 0 BDADMP Cn1cc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000334428746 386036527 /nfs/dbraw/zinc/03/65/27/386036527.db2.gz YFYGDAWNHFJWLS-UHFFFAOYSA-N 2 1 248.374 1.038 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414201740 386036999 /nfs/dbraw/zinc/03/69/99/386036999.db2.gz YLNHWPIRVSFHAH-UPJWGTAASA-N 2 1 228.380 1.731 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000414978264 386039525 /nfs/dbraw/zinc/03/95/25/386039525.db2.gz RKFPWJMAMNAQBX-MCIONIFRSA-N 2 1 237.391 1.058 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1 ZINC000414979791 386046942 /nfs/dbraw/zinc/04/69/42/386046942.db2.gz ONXDHNZQIOBCKJ-NSHDSACASA-N 2 1 208.305 1.522 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414978913 386050482 /nfs/dbraw/zinc/05/04/82/386050482.db2.gz STRHOQXYAPZGPZ-UONOGXRCSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000414664090 386106663 /nfs/dbraw/zinc/10/66/63/386106663.db2.gz SYMOOAKSTVIFGQ-UMSGYPCISA-N 2 1 225.380 1.044 20 0 BDADMP Cc1ccncc1C[NH2+]CC1([NH3+])CCC1 ZINC000414887757 386095712 /nfs/dbraw/zinc/09/57/12/386095712.db2.gz ZLBSMWYZFPRRAF-UHFFFAOYSA-N 2 1 205.305 1.361 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CCC[N@H+](C(C)C)CC1 ZINC000414673121 386144844 /nfs/dbraw/zinc/14/48/44/386144844.db2.gz QGWBTOBZUWGISJ-AWEZNQCLSA-N 2 1 241.423 1.776 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414673866 386147564 /nfs/dbraw/zinc/14/75/64/386147564.db2.gz CZLBAFWGFWMELO-TUAOUCFPSA-N 2 1 240.347 1.012 20 0 BDADMP Cc1cccc2ncc(C[NH2+]CC3([NH3+])CCC3)n21 ZINC000414892658 386153546 /nfs/dbraw/zinc/15/35/46/386153546.db2.gz XFRKQTVNEBFONA-UHFFFAOYSA-N 2 1 244.342 1.614 20 0 BDADMP CC(C)[N@@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677742 386156615 /nfs/dbraw/zinc/15/66/15/386156615.db2.gz JMKGCMONHNYVCE-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000225132286 386169967 /nfs/dbraw/zinc/16/99/67/386169967.db2.gz PZKCEHHAKXSXJL-UHFFFAOYSA-N 2 1 234.343 1.363 20 0 BDADMP CCOCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164665955 386188675 /nfs/dbraw/zinc/18/86/75/386188675.db2.gz IUDIVEWDQBUNEU-NWDGAFQWSA-N 2 1 214.353 1.330 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000414693193 386188793 /nfs/dbraw/zinc/18/87/93/386188793.db2.gz LHQDYSQJLCGKSH-LBPRGKRZSA-N 2 1 222.307 1.964 20 0 BDADMP Cc1ccc(F)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414890268 386130557 /nfs/dbraw/zinc/13/05/57/386130557.db2.gz MJVXGUUCHITJIH-ZDUSSCGKSA-N 2 1 222.307 1.961 20 0 BDADMP NC(=O)c1ccc(C[N@@H+](CCC[NH3+])C2CC2)cc1 ZINC000414670003 386134730 /nfs/dbraw/zinc/13/47/30/386134730.db2.gz CKDPWHHKFBDPRS-UHFFFAOYSA-N 2 1 247.342 1.099 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000414891271 386137879 /nfs/dbraw/zinc/13/78/79/386137879.db2.gz WJZQTYZDLVIETL-OCCSQVGLSA-N 2 1 218.344 1.817 20 0 BDADMP CC(C)CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000338789805 386138877 /nfs/dbraw/zinc/13/88/77/386138877.db2.gz IFXHDRKPGLTLDB-UONOGXRCSA-N 2 1 242.407 1.713 20 0 BDADMP CC(C)CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000338789806 386139513 /nfs/dbraw/zinc/13/95/13/386139513.db2.gz IFXHDRKPGLTLDB-ZIAGYGMSSA-N 2 1 242.407 1.713 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414699789 386203545 /nfs/dbraw/zinc/20/35/45/386203545.db2.gz FONVKUSYBKVNBU-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414706020 386220792 /nfs/dbraw/zinc/22/07/92/386220792.db2.gz OFTDSZWOFVUFQU-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000414709267 386223153 /nfs/dbraw/zinc/22/31/53/386223153.db2.gz QRBMEXNPCCYKED-RWMBFGLXSA-N 2 1 228.380 1.595 20 0 BDADMP Cc1cc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)no1 ZINC000414711405 386227197 /nfs/dbraw/zinc/22/71/97/386227197.db2.gz TXIUTFMCFIACMO-JQWIXIFHSA-N 2 1 237.347 1.803 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@H]1NCC[NH+]1CCCCCC1 ZINC000343195059 386238514 /nfs/dbraw/zinc/23/85/14/386238514.db2.gz ZSBMVUMVIULPOX-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC[NH+]1CCCCCC1 ZINC000343195059 386238518 /nfs/dbraw/zinc/23/85/18/386238518.db2.gz ZSBMVUMVIULPOX-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000647932889 386251515 /nfs/dbraw/zinc/25/15/15/386251515.db2.gz UEDKYQRJWZNXMD-JTQLQIEISA-N 2 1 228.299 1.924 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](CCCCO)C1CC1 ZINC000414694316 386191884 /nfs/dbraw/zinc/19/18/84/386191884.db2.gz NDUGAQLLHYTALQ-GFCCVEGCSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CCCCO)C1CC1 ZINC000414694316 386191886 /nfs/dbraw/zinc/19/18/86/386191886.db2.gz NDUGAQLLHYTALQ-GFCCVEGCSA-N 2 1 228.380 1.597 20 0 BDADMP C([C@H]1CCCCO1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310555326 386197932 /nfs/dbraw/zinc/19/79/32/386197932.db2.gz HZHRYBFVLDSTRU-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP CSCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000336667481 386296513 /nfs/dbraw/zinc/29/65/13/386296513.db2.gz GOJMMSFBIOAHPO-UHFFFAOYSA-N 2 1 246.420 1.128 20 0 BDADMP CSCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000336667481 386296520 /nfs/dbraw/zinc/29/65/20/386296520.db2.gz GOJMMSFBIOAHPO-UHFFFAOYSA-N 2 1 246.420 1.128 20 0 BDADMP CC(C)C1([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000298136601 386300072 /nfs/dbraw/zinc/30/00/72/386300072.db2.gz QKOTZXQZAVQQIO-UHFFFAOYSA-N 2 1 207.321 1.741 20 0 BDADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC000236736872 386305913 /nfs/dbraw/zinc/30/59/13/386305913.db2.gz ZXDDYDOQTUYYRH-LBPRGKRZSA-N 2 1 243.395 1.158 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000414735249 386311132 /nfs/dbraw/zinc/31/11/32/386311132.db2.gz GRFNKPJVHUFEME-CHWSQXEVSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(O)CCC2)C1 ZINC000336671332 386318837 /nfs/dbraw/zinc/31/88/37/386318837.db2.gz JLRXLBUXVQSVJB-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CO[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336652980 386270037 /nfs/dbraw/zinc/27/00/37/386270037.db2.gz XKFGWSVHHYRIFF-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336652980 386270041 /nfs/dbraw/zinc/27/00/41/386270041.db2.gz XKFGWSVHHYRIFF-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP CO[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336652980 386270046 /nfs/dbraw/zinc/27/00/46/386270046.db2.gz XKFGWSVHHYRIFF-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428039475 386270292 /nfs/dbraw/zinc/27/02/92/386270292.db2.gz FGLYGPVADCYIQD-KGLIPLIRSA-N 2 1 248.374 1.265 20 0 BDADMP C[C@H](O)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336654893 386272234 /nfs/dbraw/zinc/27/22/34/386272234.db2.gz KMPZYKGIIVFCFQ-RWMBFGLXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336654893 386272239 /nfs/dbraw/zinc/27/22/39/386272239.db2.gz KMPZYKGIIVFCFQ-RWMBFGLXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336654893 386272243 /nfs/dbraw/zinc/27/22/43/386272243.db2.gz KMPZYKGIIVFCFQ-RWMBFGLXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336654893 386272247 /nfs/dbraw/zinc/27/22/47/386272247.db2.gz KMPZYKGIIVFCFQ-RWMBFGLXSA-N 2 1 228.380 1.562 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000647987600 386276371 /nfs/dbraw/zinc/27/63/71/386276371.db2.gz HWYSKDODFWVIEH-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000647987600 386276376 /nfs/dbraw/zinc/27/63/76/386276376.db2.gz HWYSKDODFWVIEH-HZSPNIEDSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC000647987718 386279093 /nfs/dbraw/zinc/27/90/93/386279093.db2.gz TWMDYDOBQVEDNY-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CC[NH2+]CC1 ZINC000647987718 386279100 /nfs/dbraw/zinc/27/91/00/386279100.db2.gz TWMDYDOBQVEDNY-UONOGXRCSA-N 3 1 237.391 1.060 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000336661702 386279598 /nfs/dbraw/zinc/27/95/98/386279598.db2.gz OFVSSLORDRKCJE-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000336661702 386279601 /nfs/dbraw/zinc/27/96/01/386279601.db2.gz OFVSSLORDRKCJE-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC000336682731 386340098 /nfs/dbraw/zinc/34/00/98/386340098.db2.gz YPOJKIBVHYNFLB-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336682731 386340104 /nfs/dbraw/zinc/34/01/04/386340104.db2.gz YPOJKIBVHYNFLB-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336682731 386340108 /nfs/dbraw/zinc/34/01/08/386340108.db2.gz YPOJKIBVHYNFLB-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@](F)(CO)C1 ZINC000347351519 386346919 /nfs/dbraw/zinc/34/69/19/386346919.db2.gz XJLNTRMMIDNNRT-CHWSQXEVSA-N 2 1 244.354 1.267 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](C3CC3)C2)CC[NH2+]1 ZINC000414748039 386359690 /nfs/dbraw/zinc/35/96/90/386359690.db2.gz UBGTXONFJMMING-DYEKYZERSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000647890117 386366615 /nfs/dbraw/zinc/36/66/15/386366615.db2.gz QQQBNCDINGGDDY-ZDUSSCGKSA-N 2 1 238.306 1.548 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000414749739 386367233 /nfs/dbraw/zinc/36/72/33/386367233.db2.gz YTTYXAJJWPTPPX-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1nnc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000336695599 386374437 /nfs/dbraw/zinc/37/44/37/386374437.db2.gz JKONJJKIBDGXMD-UHFFFAOYSA-N 2 1 238.335 1.152 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@H](C)C1 ZINC000347383634 386376539 /nfs/dbraw/zinc/37/65/39/386376539.db2.gz YMWFZWBWTIOUBQ-ZIAGYGMSSA-N 3 1 241.423 1.648 20 0 BDADMP CCN1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@H](C)C1 ZINC000347383634 386376543 /nfs/dbraw/zinc/37/65/43/386376543.db2.gz YMWFZWBWTIOUBQ-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000336677310 386327038 /nfs/dbraw/zinc/32/70/38/386327038.db2.gz AZTJGXLQGMBMJL-CYBMUJFWSA-N 2 1 237.347 1.550 20 0 BDADMP COC[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000336677310 386327042 /nfs/dbraw/zinc/32/70/42/386327042.db2.gz AZTJGXLQGMBMJL-CYBMUJFWSA-N 2 1 237.347 1.550 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000336677310 386327045 /nfs/dbraw/zinc/32/70/45/386327045.db2.gz AZTJGXLQGMBMJL-CYBMUJFWSA-N 2 1 237.347 1.550 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414903423 386332784 /nfs/dbraw/zinc/33/27/84/386332784.db2.gz ZQGIIGPZZGQBLB-AGIUHOORSA-N 3 1 227.396 1.624 20 0 BDADMP C[C@H](C[N@@H+](C)C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000647989103 386336036 /nfs/dbraw/zinc/33/60/36/386336036.db2.gz IVNKFKWJFIOCSD-MNOVXSKESA-N 2 1 239.388 1.788 20 0 BDADMP C[C@@H](O)CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336681461 386337034 /nfs/dbraw/zinc/33/70/34/386337034.db2.gz DSBQANXYHWMJLU-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H](O)CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000336681461 386337039 /nfs/dbraw/zinc/33/70/39/386337039.db2.gz DSBQANXYHWMJLU-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H](O)CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000336681461 386337041 /nfs/dbraw/zinc/33/70/41/386337041.db2.gz DSBQANXYHWMJLU-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@@H+](C)C1CC([NH3+])C1 ZINC000414767839 386442827 /nfs/dbraw/zinc/44/28/27/386442827.db2.gz GWBOKHIJSDQLGM-LMWSTFAQSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414753672 386388648 /nfs/dbraw/zinc/38/86/48/386388648.db2.gz QPLUXLMVDWURAZ-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1cccn2c(C[NH2+]C3CC[NH2+]CC3)cnc12 ZINC000335279774 386393914 /nfs/dbraw/zinc/39/39/14/386393914.db2.gz SBZZGIYAUHEDMD-UHFFFAOYSA-N 2 1 244.342 1.484 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@H](C)C1 ZINC000347430312 386400194 /nfs/dbraw/zinc/40/01/94/386400194.db2.gz ODMAMDIQBDJWDJ-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C(C)C)[C@@H](C)C1 ZINC000347436853 386401685 /nfs/dbraw/zinc/40/16/85/386401685.db2.gz XDBAKSAUJIYMER-IHRRRGAJSA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1O ZINC000414757896 386405968 /nfs/dbraw/zinc/40/59/68/386405968.db2.gz LXUYXGOCNIVZQT-UMSGYPCISA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCc1ccncc1 ZINC000336702632 386408110 /nfs/dbraw/zinc/40/81/10/386408110.db2.gz LIXUAXSAPDRLFF-AWEZNQCLSA-N 2 1 235.375 1.977 20 0 BDADMP C[C@@H]1COc2ccccc2C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647991228 386409132 /nfs/dbraw/zinc/40/91/32/386409132.db2.gz MUXRATZDKUYYME-OLZOCXBDSA-N 2 1 246.354 1.879 20 0 BDADMP C[C@@H]1COc2ccccc2C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647991228 386409137 /nfs/dbraw/zinc/40/91/37/386409137.db2.gz MUXRATZDKUYYME-OLZOCXBDSA-N 2 1 246.354 1.879 20 0 BDADMP CC[C@H](C)[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000347455720 386412928 /nfs/dbraw/zinc/41/29/28/386412928.db2.gz OARUEQPVKJQEPX-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647991669 386420488 /nfs/dbraw/zinc/42/04/88/386420488.db2.gz XMZAKBCHDYBIOU-TZMCWYRMSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1nccc1[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647991669 386420492 /nfs/dbraw/zinc/42/04/92/386420492.db2.gz XMZAKBCHDYBIOU-TZMCWYRMSA-N 2 1 248.374 1.557 20 0 BDADMP Cc1cnn(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000336709569 386421729 /nfs/dbraw/zinc/42/17/29/386421729.db2.gz OLWWIDPCEFJAQE-ZDUSSCGKSA-N 2 1 236.363 1.075 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000336709569 386421734 /nfs/dbraw/zinc/42/17/34/386421734.db2.gz OLWWIDPCEFJAQE-ZDUSSCGKSA-N 2 1 236.363 1.075 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000414762724 386424425 /nfs/dbraw/zinc/42/44/25/386424425.db2.gz WNQWHNHIKSKTGC-MNOVXSKESA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000414762724 386424430 /nfs/dbraw/zinc/42/44/30/386424430.db2.gz WNQWHNHIKSKTGC-MNOVXSKESA-N 2 1 214.353 1.063 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336710703 386426877 /nfs/dbraw/zinc/42/68/77/386426877.db2.gz LKOXHGATAWNKGG-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336710703 386426878 /nfs/dbraw/zinc/42/68/78/386426878.db2.gz LKOXHGATAWNKGG-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336710703 386426881 /nfs/dbraw/zinc/42/68/81/386426881.db2.gz LKOXHGATAWNKGG-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@@H+](Cc1ccc(C(N)=O)cc1)CC(C)(C)C[NH3+] ZINC000093874118 386431548 /nfs/dbraw/zinc/43/15/48/386431548.db2.gz DINVLENDMRXNKK-UHFFFAOYSA-N 2 1 249.358 1.202 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000397312743 386436094 /nfs/dbraw/zinc/43/60/94/386436094.db2.gz PKKOKHACEFXEJF-ZOBORPQBSA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@@H]1C[N@@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000647936509 386528824 /nfs/dbraw/zinc/52/88/24/386528824.db2.gz GLQXTHZYILOPCX-OLZOCXBDSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415011110 386484383 /nfs/dbraw/zinc/48/43/83/386484383.db2.gz QDSCNCVDZODPLZ-IUCAKERBSA-N 2 1 218.304 1.388 20 0 BDADMP [NH3+]CCC[N@H+](CC1CCCC1)CC1(C[NH3+])CC1 ZINC000414777656 386484841 /nfs/dbraw/zinc/48/48/41/386484841.db2.gz DPKOOTKPBHQNBT-UHFFFAOYSA-N 3 1 239.407 1.566 20 0 BDADMP [NH3+]CCC[N@@H+](CC1CCCC1)CC1(C[NH3+])CC1 ZINC000414777656 386484847 /nfs/dbraw/zinc/48/48/47/386484847.db2.gz DPKOOTKPBHQNBT-UHFFFAOYSA-N 3 1 239.407 1.566 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414913314 386485464 /nfs/dbraw/zinc/48/54/64/386485464.db2.gz WFNHMPHRMIYVBQ-ZDUSSCGKSA-N 2 1 236.363 1.506 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415011150 386485374 /nfs/dbraw/zinc/48/53/74/386485374.db2.gz QGDSSTSRHXWITB-ZJUUUORDSA-N 2 1 235.331 1.470 20 0 BDADMP Cc1nc(F)ccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000278319074 386512092 /nfs/dbraw/zinc/51/20/92/386512092.db2.gz DTDPXDJRMCRAKO-SNVBAGLBSA-N 2 1 239.338 1.959 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000414785509 386515212 /nfs/dbraw/zinc/51/52/12/386515212.db2.gz JEXZCLRAZDMIMJ-SYQHCUMBSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000414785509 386515217 /nfs/dbraw/zinc/51/52/17/386515217.db2.gz JEXZCLRAZDMIMJ-SYQHCUMBSA-N 2 1 238.375 1.485 20 0 BDADMP Cc1[nH]ncc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415027856 386515823 /nfs/dbraw/zinc/51/58/23/386515823.db2.gz XGLIRBAWGTXARD-HAQNSBGRSA-N 2 1 236.363 1.573 20 0 BDADMP Cc1cccc(C)c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415033331 386521710 /nfs/dbraw/zinc/52/17/10/386521710.db2.gz GYJCUKUGLYUHHO-AWEZNQCLSA-N 2 1 248.370 1.772 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543659 386523400 /nfs/dbraw/zinc/52/34/00/386523400.db2.gz IAXPNOYMEFOKSA-RYUDHWBXSA-N 2 1 249.362 1.078 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543659 386523406 /nfs/dbraw/zinc/52/34/06/386523406.db2.gz IAXPNOYMEFOKSA-RYUDHWBXSA-N 2 1 249.362 1.078 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543659 386523411 /nfs/dbraw/zinc/52/34/11/386523411.db2.gz IAXPNOYMEFOKSA-RYUDHWBXSA-N 2 1 249.362 1.078 20 0 BDADMP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415037990 386524325 /nfs/dbraw/zinc/52/43/25/386524325.db2.gz LRQBWRTUTBWECB-SGJXGLNRSA-N 2 1 246.354 1.668 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415036321 386524794 /nfs/dbraw/zinc/52/47/94/386524794.db2.gz JQXVAYYJMQOUMT-CQSZACIVSA-N 2 1 234.343 1.463 20 0 BDADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH2+]CC1 ZINC000414774516 386465837 /nfs/dbraw/zinc/46/58/37/386465837.db2.gz BLKDGGIFSKDGSQ-JSGCOSHPSA-N 3 1 239.407 1.639 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000414921303 386582754 /nfs/dbraw/zinc/58/27/54/386582754.db2.gz DJDSMMHDURODGZ-MXWKQRLJSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000453404241 386588666 /nfs/dbraw/zinc/58/86/66/386588666.db2.gz PJJTXSQWQCWIGB-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP COCc1cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414801118 386590454 /nfs/dbraw/zinc/59/04/54/386590454.db2.gz TVTYFIOVDWXMJS-AWEZNQCLSA-N 2 1 236.359 1.906 20 0 BDADMP COc1cc(CC[NH2+][C@H]2CC[NH2+]C2)ccc1C ZINC000415083116 386595044 /nfs/dbraw/zinc/59/50/44/386595044.db2.gz MXGXHYIUWIRZCW-ZDUSSCGKSA-N 2 1 234.343 1.498 20 0 BDADMP C1C[C@H]2[C@@H](CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)O1 ZINC000415084208 386596502 /nfs/dbraw/zinc/59/65/02/386596502.db2.gz GCLWKGZISRXEET-FDYHWXHSSA-N 2 1 224.348 1.286 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000336755201 386532942 /nfs/dbraw/zinc/53/29/42/386532942.db2.gz GCIIFAXIPYDJOR-CYBMUJFWSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047081 386534878 /nfs/dbraw/zinc/53/48/78/386534878.db2.gz AFEOQYYJQLYNQL-XJFOESAGSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047081 386534880 /nfs/dbraw/zinc/53/48/80/386534880.db2.gz AFEOQYYJQLYNQL-XJFOESAGSA-N 3 1 239.407 1.434 20 0 BDADMP CC(C)CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789765 386539627 /nfs/dbraw/zinc/53/96/27/386539627.db2.gz YXMZENIVBNMOCL-ZDUSSCGKSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC000415057826 386542082 /nfs/dbraw/zinc/54/20/82/386542082.db2.gz UMDDOGQLHJPRQF-WOPDTQHZSA-N 3 1 227.396 1.338 20 0 BDADMP CN(C)c1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414790194 386542382 /nfs/dbraw/zinc/54/23/82/386542382.db2.gz PIFCXOUPKCJASX-UHFFFAOYSA-N 2 1 233.359 1.594 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000415065964 386546922 /nfs/dbraw/zinc/54/69/22/386546922.db2.gz IBRQMOHUHYVVSI-YPMHNXCESA-N 3 1 225.380 1.249 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415067429 386547213 /nfs/dbraw/zinc/54/72/13/386547213.db2.gz PDZCJKQCGOREBP-ZYHUDNBSSA-N 2 1 214.353 1.519 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415065152 386548578 /nfs/dbraw/zinc/54/85/78/386548578.db2.gz FOIIDGPWNHGLHT-UHFFFAOYSA-N 2 1 222.336 1.258 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415067427 386548692 /nfs/dbraw/zinc/54/86/92/386548692.db2.gz PDZCJKQCGOREBP-JQWIXIFHSA-N 2 1 214.353 1.519 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415069444 386550817 /nfs/dbraw/zinc/55/08/17/386550817.db2.gz GHSNMHATUDOJEH-CHWSQXEVSA-N 2 1 228.380 1.779 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070791 386556209 /nfs/dbraw/zinc/55/62/09/386556209.db2.gz VOCKJWDEKHZPOV-AWEZNQCLSA-N 2 1 233.359 1.997 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCCOC)CC[C@H]1[NH3+] ZINC000647936818 386556864 /nfs/dbraw/zinc/55/68/64/386556864.db2.gz LUBLWSUXTWUTMC-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCOC1 ZINC000414794632 386562104 /nfs/dbraw/zinc/56/21/04/386562104.db2.gz VVHBCRZSQNZAEA-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCOC1 ZINC000414794632 386562109 /nfs/dbraw/zinc/56/21/09/386562109.db2.gz VVHBCRZSQNZAEA-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@H]1CCC[NH2+]C1 ZINC000415074625 386567209 /nfs/dbraw/zinc/56/72/09/386567209.db2.gz DAOICYHHHPPGAF-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP Cc1nc(C)c(C[NH2+]CCC[NH+]2CCC2)s1 ZINC000520253195 386622538 /nfs/dbraw/zinc/62/25/38/386622538.db2.gz TWGVTKMYGFJLNU-UHFFFAOYSA-N 2 1 239.388 1.945 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000415126028 386627307 /nfs/dbraw/zinc/62/73/07/386627307.db2.gz LWDNJXXLLUKTKI-REWJHTLYSA-N 3 1 239.407 1.291 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000415124930 386627474 /nfs/dbraw/zinc/62/74/74/386627474.db2.gz KOIQJWZCCLPISE-PWSUYJOCSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000415124930 386627481 /nfs/dbraw/zinc/62/74/81/386627481.db2.gz KOIQJWZCCLPISE-PWSUYJOCSA-N 2 1 234.347 1.202 20 0 BDADMP Cc1ccc2cc(C[NH2+][C@H](C)C[NH3+])ccc2n1 ZINC000414924877 386630651 /nfs/dbraw/zinc/63/06/51/386630651.db2.gz HZXZHRPMJYPDET-LLVKDONJSA-N 2 1 229.327 1.980 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414810930 386634303 /nfs/dbraw/zinc/63/43/03/386634303.db2.gz YKKHVKYXFZBMEN-UHFFFAOYSA-N 2 1 244.342 1.904 20 0 BDADMP C[C@@H]([NH3+])c1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414811628 386637132 /nfs/dbraw/zinc/63/71/32/386637132.db2.gz PZTASMLQRGKKIM-TZMCWYRMSA-N 2 1 247.386 1.796 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCOCC1 ZINC000414812378 386639378 /nfs/dbraw/zinc/63/93/78/386639378.db2.gz KVYSCXZGVGITAB-NEPJUHHUSA-N 2 1 214.353 1.663 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCOCC1 ZINC000062767656 386600613 /nfs/dbraw/zinc/60/06/13/386600613.db2.gz DQBQTVMOSUKOOU-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCOCC1 ZINC000062767656 386600617 /nfs/dbraw/zinc/60/06/17/386600617.db2.gz DQBQTVMOSUKOOU-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP C[C@@H]([NH3+])c1ccc(CNC[C@@]2(C)CC[NH2+]C2)cc1 ZINC000414807730 386611678 /nfs/dbraw/zinc/61/16/78/386611678.db2.gz CZQVBRXSRRNOPY-DOMZBBRYSA-N 2 1 247.386 1.796 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CCO ZINC000415096378 386614653 /nfs/dbraw/zinc/61/46/53/386614653.db2.gz PQGKNQMXOTYLSA-NEPJUHHUSA-N 2 1 214.353 1.207 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])C[C@@H]1C ZINC000414923747 386616245 /nfs/dbraw/zinc/61/62/45/386616245.db2.gz FTICLBCDIAWVBB-IRCOFANPSA-N 2 1 242.363 1.291 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cccc(F)c1 ZINC000520240325 386617261 /nfs/dbraw/zinc/61/72/61/386617261.db2.gz SMRILGSTJVXXOA-CYBMUJFWSA-N 2 1 240.322 1.228 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000520240325 386617269 /nfs/dbraw/zinc/61/72/69/386617269.db2.gz SMRILGSTJVXXOA-CYBMUJFWSA-N 2 1 240.322 1.228 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH+](C)C[C@@H]1C)C(C)C ZINC000336759476 386665916 /nfs/dbraw/zinc/66/59/16/386665916.db2.gz JBEGMFRCCPDCFF-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000336759476 386665924 /nfs/dbraw/zinc/66/59/24/386665924.db2.gz JBEGMFRCCPDCFF-STQMWFEESA-N 2 1 227.396 1.256 20 0 BDADMP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414818071 386657704 /nfs/dbraw/zinc/65/77/04/386657704.db2.gz CQKRBQGDUFQDMB-PWSUYJOCSA-N 2 1 237.322 1.698 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414926951 386684743 /nfs/dbraw/zinc/68/47/43/386684743.db2.gz KGXUSZRWDUQQEH-WDEREUQCSA-N 2 1 214.353 1.376 20 0 BDADMP C[C@H](C[NH3+])N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414926988 386686712 /nfs/dbraw/zinc/68/67/12/386686712.db2.gz KODUQBAEAAICHC-NFAWXSAZSA-N 2 1 247.386 1.759 20 0 BDADMP Cc1c([C@H](C)N[C@H]2C[N@@H+](C)C[C@@H]2C)cnn1C ZINC000352846365 386711848 /nfs/dbraw/zinc/71/18/48/386711848.db2.gz OGWRSDJFZKCQOT-KWBADKCTSA-N 2 1 236.363 1.329 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000357022164 386693355 /nfs/dbraw/zinc/69/33/55/386693355.db2.gz BDYDPROVVORJBG-NSHDSACASA-N 2 1 240.372 1.860 20 0 BDADMP c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)co1 ZINC000357040668 386700954 /nfs/dbraw/zinc/70/09/54/386700954.db2.gz BZCIAGQFQFJLSX-GFCCVEGCSA-N 2 1 235.331 1.496 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnn(C(C)C)c1 ZINC000414830298 386705971 /nfs/dbraw/zinc/70/59/71/386705971.db2.gz CAEPLWITSFTRLV-NSHDSACASA-N 2 1 224.352 1.409 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830350 386706124 /nfs/dbraw/zinc/70/61/24/386706124.db2.gz AYFJCNCDVDTRLG-OLZOCXBDSA-N 2 1 228.380 1.909 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1cccnc1 ZINC000122338324 386740542 /nfs/dbraw/zinc/74/05/42/386740542.db2.gz WQGMZIPGEJQBKQ-DGCLKSJQSA-N 2 1 219.332 1.293 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H](N)c1ccccc1 ZINC000414836936 386731950 /nfs/dbraw/zinc/73/19/50/386731950.db2.gz TUOCJMXRTYOALJ-CQSZACIVSA-N 2 1 244.342 1.816 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]1CCSC1 ZINC000414840561 386738139 /nfs/dbraw/zinc/73/81/39/386738139.db2.gz MLRHYQAXIMAKGU-GHMZBOCLSA-N 2 1 216.394 1.703 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[NH2+]C)C[C@H]1C ZINC000414832885 386720259 /nfs/dbraw/zinc/72/02/59/386720259.db2.gz RNRXQDSUONHDLU-GRYCIOLGSA-N 2 1 242.363 1.163 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000311684421 386727176 /nfs/dbraw/zinc/72/71/76/386727176.db2.gz MVIGOKBJXIKAQK-JTQLQIEISA-N 2 1 223.320 1.326 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000311684421 386727183 /nfs/dbraw/zinc/72/71/83/386727183.db2.gz MVIGOKBJXIKAQK-JTQLQIEISA-N 2 1 223.320 1.326 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335543114 386727591 /nfs/dbraw/zinc/72/75/91/386727591.db2.gz JJZWFOCITFNHKX-LLVKDONJSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335543114 386727598 /nfs/dbraw/zinc/72/75/98/386727598.db2.gz JJZWFOCITFNHKX-LLVKDONJSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335543114 386727604 /nfs/dbraw/zinc/72/76/04/386727604.db2.gz JJZWFOCITFNHKX-LLVKDONJSA-N 2 1 248.374 1.682 20 0 BDADMP C[NH2+]CC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414835569 386728597 /nfs/dbraw/zinc/72/85/97/386728597.db2.gz VDPWBGCXZIOYFZ-NSHDSACASA-N 2 1 214.353 1.248 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414840093 386744683 /nfs/dbraw/zinc/74/46/83/386744683.db2.gz MGNHPSLKPZHIFU-GHMZBOCLSA-N 2 1 202.342 1.374 20 0 BDADMP CC[C@H]1CCCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000125054992 386753117 /nfs/dbraw/zinc/75/31/17/386753117.db2.gz OTEGRVCBVIPQAY-AWEZNQCLSA-N 2 1 239.407 1.546 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000425940120 386753696 /nfs/dbraw/zinc/75/36/96/386753696.db2.gz VXJPTDPYBVOKSK-RDBSUJKOSA-N 2 1 241.423 1.504 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000425940120 386753700 /nfs/dbraw/zinc/75/37/00/386753700.db2.gz VXJPTDPYBVOKSK-RDBSUJKOSA-N 3 1 241.423 1.504 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000425940120 386753707 /nfs/dbraw/zinc/75/37/07/386753707.db2.gz VXJPTDPYBVOKSK-RDBSUJKOSA-N 3 1 241.423 1.504 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000414934084 386794869 /nfs/dbraw/zinc/79/48/69/386794869.db2.gz UYJDWCOLJGAFPU-GHMZBOCLSA-N 2 1 246.358 1.821 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417864953 386806994 /nfs/dbraw/zinc/80/69/94/386806994.db2.gz BUCZTVJHTCFGGL-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cnc(CNC[C@H](C)[N@@H+](C)C2CC2)n1C ZINC000341038817 386826271 /nfs/dbraw/zinc/82/62/71/386826271.db2.gz CYKFPJLVZHUXTI-JTQLQIEISA-N 2 1 236.363 1.301 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000334775024 386826444 /nfs/dbraw/zinc/82/64/44/386826444.db2.gz ARAHRNGFNAQJFE-LBPRGKRZSA-N 2 1 244.342 1.734 20 0 BDADMP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC000051631153 386835521 /nfs/dbraw/zinc/83/55/21/386835521.db2.gz LMEAIWKHUDAIGU-GJZGRUSLSA-N 2 1 230.355 1.886 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000334785333 386845522 /nfs/dbraw/zinc/84/55/22/386845522.db2.gz ODFCHBGKCPPZHP-DGCLKSJQSA-N 2 1 233.359 1.868 20 0 BDADMP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n[nH]1 ZINC000334785470 386845797 /nfs/dbraw/zinc/84/57/97/386845797.db2.gz QSVWHLWADXCZPN-ZDUSSCGKSA-N 2 1 234.347 1.374 20 0 BDADMP CN(C)c1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000358040846 386883608 /nfs/dbraw/zinc/88/36/08/386883608.db2.gz BYBVDZYTXYQPFK-UHFFFAOYSA-N 2 1 247.386 1.936 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000414941025 386889722 /nfs/dbraw/zinc/88/97/22/386889722.db2.gz YDGYEQMLLRSCQB-UTUOFQBUSA-N 2 1 212.337 1.001 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000366732893 386913895 /nfs/dbraw/zinc/91/38/95/386913895.db2.gz YEZQBAXBZMSZBP-QJPTWQEYSA-N 2 1 237.347 1.459 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358223144 386914874 /nfs/dbraw/zinc/91/48/74/386914874.db2.gz ACWBWKGFKLMSHV-ZIAGYGMSSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358223144 386914877 /nfs/dbraw/zinc/91/48/77/386914877.db2.gz ACWBWKGFKLMSHV-ZIAGYGMSSA-N 2 1 242.407 1.857 20 0 BDADMP CCn1ccnc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000395509544 386908024 /nfs/dbraw/zinc/90/80/24/386908024.db2.gz OWBPOZLLTDZMET-QWRGUYRKSA-N 2 1 222.336 1.120 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000161710786 386928325 /nfs/dbraw/zinc/92/83/25/386928325.db2.gz WIRHZSCSJUMNCP-GHMZBOCLSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000334872262 386933599 /nfs/dbraw/zinc/93/35/99/386933599.db2.gz CNXUTTSPUVEWBB-PRHODGIISA-N 2 1 224.735 1.744 20 0 BDADMP CS[C@H]1CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000425353844 386963150 /nfs/dbraw/zinc/96/31/50/386963150.db2.gz NJYSVHUZTDGBFC-RYUDHWBXSA-N 2 1 226.389 1.732 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000332345057 386971301 /nfs/dbraw/zinc/97/13/01/386971301.db2.gz OGLQDHUGMKQGRF-MCIONIFRSA-N 2 1 239.407 1.626 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCOCC2(CC2)C1 ZINC000334898497 386972354 /nfs/dbraw/zinc/97/23/54/386972354.db2.gz IAOOHEGOHZJTFQ-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCOCC2(CC2)C1 ZINC000334898497 386972360 /nfs/dbraw/zinc/97/23/60/386972360.db2.gz IAOOHEGOHZJTFQ-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCOCC2(CC2)C1 ZINC000334898497 386972365 /nfs/dbraw/zinc/97/23/65/386972365.db2.gz IAOOHEGOHZJTFQ-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCOCC2(CC2)C1 ZINC000334898497 386972368 /nfs/dbraw/zinc/97/23/68/386972368.db2.gz IAOOHEGOHZJTFQ-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000333463756 387036945 /nfs/dbraw/zinc/03/69/45/387036945.db2.gz HCXHYCNTSNUUQM-FRRDWIJNSA-N 2 1 248.374 1.657 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126727108 387050108 /nfs/dbraw/zinc/05/01/08/387050108.db2.gz BRVDKLXWFRIASM-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000334969211 387052724 /nfs/dbraw/zinc/05/27/24/387052724.db2.gz QAAWOYHZDQAEOZ-LBPRGKRZSA-N 2 1 219.332 1.920 20 0 BDADMP C[C@]1(F)CNCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334969263 387053046 /nfs/dbraw/zinc/05/30/46/387053046.db2.gz BKTKSJWRVHPOKO-STQMWFEESA-N 3 1 243.370 1.010 20 0 BDADMP C[C@]1(F)C[NH2+]CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334969263 387053051 /nfs/dbraw/zinc/05/30/51/387053051.db2.gz BKTKSJWRVHPOKO-STQMWFEESA-N 3 1 243.370 1.010 20 0 BDADMP CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369654302 387057381 /nfs/dbraw/zinc/05/73/81/387057381.db2.gz CPUYYNNVOGNHHE-RQJABVFESA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369654302 387057383 /nfs/dbraw/zinc/05/73/83/387057383.db2.gz CPUYYNNVOGNHHE-RQJABVFESA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369654302 387057387 /nfs/dbraw/zinc/05/73/87/387057387.db2.gz CPUYYNNVOGNHHE-RQJABVFESA-N 2 1 238.375 1.173 20 0 BDADMP C[C@@]1(F)CNCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000334973397 387058733 /nfs/dbraw/zinc/05/87/33/387058733.db2.gz OUEZINWZKFUQHX-VXGBXAGGSA-N 2 1 230.327 1.189 20 0 BDADMP C[C@@]1(F)CNCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000334973397 387058737 /nfs/dbraw/zinc/05/87/37/387058737.db2.gz OUEZINWZKFUQHX-VXGBXAGGSA-N 2 1 230.327 1.189 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000334983418 387069891 /nfs/dbraw/zinc/06/98/91/387069891.db2.gz KBMUCMSDUDWAEB-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CN(CCC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000334983418 387069897 /nfs/dbraw/zinc/06/98/97/387069897.db2.gz KBMUCMSDUDWAEB-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)CCOC1 ZINC000353079621 387070060 /nfs/dbraw/zinc/07/00/60/387070060.db2.gz KQTHHRJTTVCOPM-AWEZNQCLSA-N 2 1 249.358 1.664 20 0 BDADMP C[N@@H+](CCc1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842513 387074938 /nfs/dbraw/zinc/07/49/38/387074938.db2.gz SFVXJDLONWYDER-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842513 387074947 /nfs/dbraw/zinc/07/49/47/387074947.db2.gz SFVXJDLONWYDER-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842513 387074952 /nfs/dbraw/zinc/07/49/52/387074952.db2.gz SFVXJDLONWYDER-OAHLLOKOSA-N 2 1 247.386 1.898 20 0 BDADMP CN(CC[N@@H+](C)CCCn1ccnc1)C1CC1 ZINC000186742630 387130475 /nfs/dbraw/zinc/13/04/75/387130475.db2.gz YURJPXFEACHCOF-UHFFFAOYSA-N 2 1 236.363 1.299 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)CC2)CC[N@@H+]1C ZINC000129519722 387098350 /nfs/dbraw/zinc/09/83/50/387098350.db2.gz ZNAWAEVKCQSJIF-CQLXCSJHSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)CC2)CC[N@H+]1C ZINC000129519722 387098353 /nfs/dbraw/zinc/09/83/53/387098353.db2.gz ZNAWAEVKCQSJIF-CQLXCSJHSA-N 2 1 226.364 1.362 20 0 BDADMP FC(F)(F)CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335006682 387100900 /nfs/dbraw/zinc/10/09/00/387100900.db2.gz MZQZZUSMEHSCMI-UHFFFAOYSA-N 2 1 222.254 1.767 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228533726 387101650 /nfs/dbraw/zinc/10/16/50/387101650.db2.gz CKRMYMMEBZFVAF-NWANDNLSSA-N 2 1 245.370 1.949 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000335007932 387103677 /nfs/dbraw/zinc/10/36/77/387103677.db2.gz BTGMHYYGJWJBIS-GWCFXTLKSA-N 2 1 237.322 1.698 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cn1 ZINC000335010694 387104237 /nfs/dbraw/zinc/10/42/37/387104237.db2.gz KWPDHBXBGJTTIJ-NEPJUHHUSA-N 2 1 205.305 1.359 20 0 BDADMP CC(C)[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000188974093 387122838 /nfs/dbraw/zinc/12/28/38/387122838.db2.gz QIUWZHVBUSSFRV-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP COc1cccc(C[C@H]([NH2+][C@H](C)C[NH3+])C2CC2)c1 ZINC000423319811 387158263 /nfs/dbraw/zinc/15/82/63/387158263.db2.gz FNYIJMYVVRUMOE-ABAIWWIYSA-N 2 1 248.370 1.953 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000423318772 387158370 /nfs/dbraw/zinc/15/83/70/387158370.db2.gz DQTWZBDNWAGSJJ-MNOVXSKESA-N 2 1 245.330 1.265 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423319342 387160101 /nfs/dbraw/zinc/16/01/01/387160101.db2.gz ZWKJECCOCXEFGR-ZDUSSCGKSA-N 2 1 238.379 1.497 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423319536 387162070 /nfs/dbraw/zinc/16/20/70/387162070.db2.gz LQIFKOWFYMVULP-GXFFZTMASA-N 2 1 219.332 1.778 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423320317 387162675 /nfs/dbraw/zinc/16/26/75/387162675.db2.gz GDYSCGZHHLSZPZ-IGJMFERPSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423322554 387164479 /nfs/dbraw/zinc/16/44/79/387164479.db2.gz IUCIAFIZTDETKL-MNOVXSKESA-N 2 1 245.330 1.265 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423328228 387170898 /nfs/dbraw/zinc/17/08/98/387170898.db2.gz LWIRIVHSQZSCNR-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423328228 387170900 /nfs/dbraw/zinc/17/09/00/387170900.db2.gz LWIRIVHSQZSCNR-MGPQQGTHSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423328228 387170902 /nfs/dbraw/zinc/17/09/02/387170902.db2.gz LWIRIVHSQZSCNR-MGPQQGTHSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000423331227 387175190 /nfs/dbraw/zinc/17/51/90/387175190.db2.gz PYGPBAGBAXFDCX-MNOVXSKESA-N 2 1 245.330 1.265 20 0 BDADMP Cc1ncncc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000571819723 387177532 /nfs/dbraw/zinc/17/75/32/387177532.db2.gz INLPEMMZFZMTSE-LLVKDONJSA-N 2 1 246.358 1.698 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423332664 387178270 /nfs/dbraw/zinc/17/82/70/387178270.db2.gz QXQFIUMBDQJVHY-YVECIDJPSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)O1 ZINC000229594256 387184127 /nfs/dbraw/zinc/18/41/27/387184127.db2.gz WABYMKJPPKYLSU-UMSGYPCISA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000229594539 387185211 /nfs/dbraw/zinc/18/52/11/387185211.db2.gz HFVOKPSGHCUQAR-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000229594539 387185214 /nfs/dbraw/zinc/18/52/14/387185214.db2.gz HFVOKPSGHCUQAR-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622691 387186318 /nfs/dbraw/zinc/18/63/18/387186318.db2.gz SZRBZBOEGVXBAI-MJBXVCDLSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@@H]2CCC[C@@H]21 ZINC000423341198 387189755 /nfs/dbraw/zinc/18/97/55/387189755.db2.gz XUHMNGRVKFSCSH-AVGNSLFASA-N 2 1 237.391 1.330 20 0 BDADMP COC[C@H](C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000120558408 387190961 /nfs/dbraw/zinc/19/09/61/387190961.db2.gz RIHRZFMKVFOOIS-CHWSQXEVSA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@H](C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000120558408 387190965 /nfs/dbraw/zinc/19/09/65/387190965.db2.gz RIHRZFMKVFOOIS-CHWSQXEVSA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@H](C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000120558408 387190970 /nfs/dbraw/zinc/19/09/70/387190970.db2.gz RIHRZFMKVFOOIS-CHWSQXEVSA-N 2 1 228.380 1.543 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370673765 387133870 /nfs/dbraw/zinc/13/38/70/387133870.db2.gz PORXELYCRYPVLA-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000423305747 387141097 /nfs/dbraw/zinc/14/10/97/387141097.db2.gz CQKRKZXSHIRPAO-CHWSQXEVSA-N 2 1 240.391 1.923 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408938 387205893 /nfs/dbraw/zinc/20/58/93/387205893.db2.gz SXASEJPJSIIXQQ-RDBSUJKOSA-N 2 1 240.391 1.754 20 0 BDADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423357342 387208193 /nfs/dbraw/zinc/20/81/93/387208193.db2.gz AAHITLSFRWYXAJ-VHSXEESVSA-N 2 1 228.336 1.045 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423356311 387208343 /nfs/dbraw/zinc/20/83/43/387208343.db2.gz GMTFSATUTVKATG-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423357344 387208447 /nfs/dbraw/zinc/20/84/47/387208447.db2.gz ABGWSNOSCURIOE-SDDRHHMPSA-N 2 1 228.380 1.907 20 0 BDADMP C[C@]12C[C@H]1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423356837 387208724 /nfs/dbraw/zinc/20/87/24/387208724.db2.gz KXFAFMNQTGPHSP-NDBYEHHHSA-N 2 1 208.349 1.907 20 0 BDADMP CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423360998 387212013 /nfs/dbraw/zinc/21/20/13/387212013.db2.gz GKGVJPKEKJRYKH-TUAOUCFPSA-N 2 1 228.380 1.763 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353491983 387214306 /nfs/dbraw/zinc/21/43/06/387214306.db2.gz MBKXNEGTQOYFMW-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423362882 387215053 /nfs/dbraw/zinc/21/50/53/387215053.db2.gz ILNAFWKYGVYRBV-AXFHLTTASA-N 2 1 214.353 1.515 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCCOC1 ZINC000423365176 387218864 /nfs/dbraw/zinc/21/88/64/387218864.db2.gz PIDKNLGRHFSXKI-LPWJVIDDSA-N 2 1 226.364 1.389 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423426275 387252956 /nfs/dbraw/zinc/25/29/56/387252956.db2.gz HODNGFNXMKTEFN-BARDWOONSA-N 2 1 228.339 1.790 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000423369705 387222793 /nfs/dbraw/zinc/22/27/93/387222793.db2.gz SZNZXRBOPDYZIU-IJLUTSLNSA-N 2 1 208.349 1.907 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H](COC)C1CCCC1 ZINC000423370457 387223454 /nfs/dbraw/zinc/22/34/54/387223454.db2.gz DMFBORHIXZJNJE-DGCLKSJQSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-n2cncn2)cc1 ZINC000423370741 387224194 /nfs/dbraw/zinc/22/41/94/387224194.db2.gz PYGPBAGBAXFDCX-WDEREUQCSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000423369707 387224652 /nfs/dbraw/zinc/22/46/52/387224652.db2.gz SZNZXRBOPDYZIU-WOPDTQHZSA-N 2 1 208.349 1.907 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)OC ZINC000353554859 387227416 /nfs/dbraw/zinc/22/74/16/387227416.db2.gz APYQYAXNBGEDPW-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423373236 387229391 /nfs/dbraw/zinc/22/93/91/387229391.db2.gz WMPYEBJGGBBJDW-GRYCIOLGSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400848 387235254 /nfs/dbraw/zinc/23/52/54/387235254.db2.gz QKXDZTYNQIFCDV-MHDGFBEUSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423400848 387235259 /nfs/dbraw/zinc/23/52/59/387235259.db2.gz QKXDZTYNQIFCDV-MHDGFBEUSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353610550 387241509 /nfs/dbraw/zinc/24/15/09/387241509.db2.gz WRTGAISBWUGYTQ-REWJHTLYSA-N 2 1 240.391 1.610 20 0 BDADMP CCOC[C@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH3+] ZINC000423410007 387245803 /nfs/dbraw/zinc/24/58/03/387245803.db2.gz ZLYMLSZBCMQBAE-HBNTYKKESA-N 2 1 200.326 1.128 20 0 BDADMP COC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C(C)C ZINC000423410924 387246162 /nfs/dbraw/zinc/24/61/62/387246162.db2.gz ASANTDRGZBENFR-CHWSQXEVSA-N 2 1 244.379 1.016 20 0 BDADMP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000360249688 387250170 /nfs/dbraw/zinc/25/01/70/387250170.db2.gz DODAWLUVVGDJJO-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn[nH]c1 ZINC000285192422 387250764 /nfs/dbraw/zinc/25/07/64/387250764.db2.gz NRVOWZMMKKORGN-SNVBAGLBSA-N 2 1 220.320 1.322 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571921501 387196963 /nfs/dbraw/zinc/19/69/63/387196963.db2.gz WJVLWBQZVLBNTK-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000423382657 387266605 /nfs/dbraw/zinc/26/66/05/387266605.db2.gz DQTWZBDNWAGSJJ-QWRGUYRKSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000423385050 387267878 /nfs/dbraw/zinc/26/78/78/387267878.db2.gz LKKFGXNNRWZSMM-LPWJVIDDSA-N 2 1 237.391 1.471 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[N@H+]1C1CC1 ZINC000423385050 387267884 /nfs/dbraw/zinc/26/78/84/387267884.db2.gz LKKFGXNNRWZSMM-LPWJVIDDSA-N 2 1 237.391 1.471 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423442245 387292482 /nfs/dbraw/zinc/29/24/82/387292482.db2.gz JSFPJCWXXQVSAN-VWYCJHECSA-N 2 1 222.332 1.565 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)C1CC[NH2+]CC1 ZINC000336469735 387298455 /nfs/dbraw/zinc/29/84/55/387298455.db2.gz LHLSIMBKCHZLNW-UHFFFAOYSA-N 2 1 219.332 1.453 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)[C@@H](C)O1 ZINC000648560415 387298576 /nfs/dbraw/zinc/29/85/76/387298576.db2.gz HBHYXGVUGXSBDY-NDBYEHHHSA-N 2 1 249.358 1.601 20 0 BDADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423458356 387305771 /nfs/dbraw/zinc/30/57/71/387305771.db2.gz GSNUNOHRVSAPDS-WUHRBBMRSA-N 2 1 225.380 1.186 20 0 BDADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423459407 387306851 /nfs/dbraw/zinc/30/68/51/387306851.db2.gz HYPXTPGJXTYYRI-MFKMUULPSA-N 2 1 222.332 1.567 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000423459913 387308774 /nfs/dbraw/zinc/30/87/74/387308774.db2.gz AHSYPFYPJULYFM-REWJHTLYSA-N 2 1 239.407 1.624 20 0 BDADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccncc1 ZINC000423461024 387309223 /nfs/dbraw/zinc/30/92/23/387309223.db2.gz JFWPRIOTGZOPLA-RYUDHWBXSA-N 2 1 207.321 1.860 20 0 BDADMP COCCC[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501526 387355014 /nfs/dbraw/zinc/35/50/14/387355014.db2.gz JPBWDGMJHCRTMU-NWDGAFQWSA-N 2 1 214.353 1.533 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423529681 387358466 /nfs/dbraw/zinc/35/84/66/387358466.db2.gz XTUDZPCLMRCEHI-QWHCGFSZSA-N 2 1 241.423 1.694 20 0 BDADMP CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000515305617 387361560 /nfs/dbraw/zinc/36/15/60/387361560.db2.gz CEBUMBFIBUJULP-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)n1 ZINC000423533619 387361701 /nfs/dbraw/zinc/36/17/01/387361701.db2.gz XZYXFZYDSMKUKG-SNVBAGLBSA-N 2 1 248.374 1.886 20 0 BDADMP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000423545676 387369615 /nfs/dbraw/zinc/36/96/15/387369615.db2.gz YHEVFNWONYCMSS-TZMCWYRMSA-N 2 1 237.391 1.416 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCCNC1 ZINC000423553595 387371926 /nfs/dbraw/zinc/37/19/26/387371926.db2.gz KMSOSAYYCHGSBP-RYUDHWBXSA-N 2 1 213.369 1.236 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCCNC1 ZINC000423553594 387373184 /nfs/dbraw/zinc/37/31/84/387373184.db2.gz KMSOSAYYCHGSBP-NWDGAFQWSA-N 2 1 213.369 1.236 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423553661 387373831 /nfs/dbraw/zinc/37/38/31/387373831.db2.gz KQNYHZJUQCXYLN-AGIUHOORSA-N 2 1 237.391 1.343 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCOC1 ZINC000336554752 387378698 /nfs/dbraw/zinc/37/86/98/387378698.db2.gz BJDRSPMXRBPURG-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000336554752 387378702 /nfs/dbraw/zinc/37/87/02/387378702.db2.gz BJDRSPMXRBPURG-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@H]1CCCO1 ZINC000423573782 387380046 /nfs/dbraw/zinc/38/00/46/387380046.db2.gz ZOEABOLXWRYEHV-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423573753 387380070 /nfs/dbraw/zinc/38/00/70/387380070.db2.gz ZLUIRENGTRIXIJ-DGCLKSJQSA-N 3 1 225.380 1.236 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000036321639 387382256 /nfs/dbraw/zinc/38/22/56/387382256.db2.gz RIZFBKGQQVYJDA-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC(n2ccnc2)CC1 ZINC000336495828 387320404 /nfs/dbraw/zinc/32/04/04/387320404.db2.gz BMMPOPZNNSTURX-UHFFFAOYSA-N 3 1 222.336 1.257 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462906 387320591 /nfs/dbraw/zinc/32/05/91/387320591.db2.gz YFGKGOTXMRPPDA-FPMFFAJLSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000336497888 387322864 /nfs/dbraw/zinc/32/28/64/387322864.db2.gz FURNHEFLBJTYJL-NSHDSACASA-N 2 1 231.343 1.435 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423482394 387328623 /nfs/dbraw/zinc/32/86/23/387328623.db2.gz RLOOWWVOEMNNLS-ZIAGYGMSSA-N 2 1 239.407 1.615 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCO)CC1 ZINC000372951901 387335453 /nfs/dbraw/zinc/33/54/53/387335453.db2.gz GFMBHRIZQPNUJS-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423490619 387337060 /nfs/dbraw/zinc/33/70/60/387337060.db2.gz IHPYPGRVHANSAZ-RGDJUOJXSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423490619 387337064 /nfs/dbraw/zinc/33/70/64/387337064.db2.gz IHPYPGRVHANSAZ-RGDJUOJXSA-N 2 1 239.407 1.432 20 0 BDADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423505042 387343242 /nfs/dbraw/zinc/34/32/42/387343242.db2.gz GJQZBDXALXHRMQ-JHJVBQTASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CCCOC1 ZINC000423506664 387344889 /nfs/dbraw/zinc/34/48/89/387344889.db2.gz PETWMZFCNWURIX-FPMFFAJLSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423513654 387347026 /nfs/dbraw/zinc/34/70/26/387347026.db2.gz VNBUYISXHURPPB-WXHSDQCUSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423513654 387347029 /nfs/dbraw/zinc/34/70/29/387347029.db2.gz VNBUYISXHURPPB-WXHSDQCUSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)[C@@H](C)O1 ZINC000423513949 387348077 /nfs/dbraw/zinc/34/80/77/387348077.db2.gz VXMJQPUQPHABGH-AAXDQBDMSA-N 2 1 226.364 1.659 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423514429 387351278 /nfs/dbraw/zinc/35/12/78/387351278.db2.gz WOEOUDCNGDDLFG-FOGDFJRCSA-N 2 1 214.353 1.517 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C[NH2+]1 ZINC000306573033 387426374 /nfs/dbraw/zinc/42/63/74/387426374.db2.gz HXUZDOPKTPJPAP-VWYCJHECSA-N 2 1 214.378 1.470 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@H]1O ZINC000352665062 387427453 /nfs/dbraw/zinc/42/74/53/387427453.db2.gz DEVKFXBFFCBGPE-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(F)CC2)C[C@@]1(C)C[NH3+] ZINC000516016570 387447068 /nfs/dbraw/zinc/44/70/68/387447068.db2.gz LYJTZJHGBBCEHK-NXEZZACHSA-N 2 1 200.301 1.405 20 0 BDADMP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc21 ZINC000515634233 387404162 /nfs/dbraw/zinc/40/41/62/387404162.db2.gz TVBQFEMSHJDSBF-CHWSQXEVSA-N 2 1 244.342 1.543 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@@H](C)OC ZINC000361566934 387495226 /nfs/dbraw/zinc/49/52/26/387495226.db2.gz PAZLEPAWKGFODG-GFCCVEGCSA-N 2 1 239.363 1.938 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@@H](C)OC ZINC000361566934 387495229 /nfs/dbraw/zinc/49/52/29/387495229.db2.gz PAZLEPAWKGFODG-GFCCVEGCSA-N 2 1 239.363 1.938 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396846552 387500920 /nfs/dbraw/zinc/50/09/20/387500920.db2.gz HECIXRUTPKRIIL-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@]1(CNC(N)=[NH2+])CC[N@@H+](Cc2ccccc2)C1 ZINC000307642153 387530420 /nfs/dbraw/zinc/53/04/20/387530420.db2.gz LBQHDHFSZWFOQZ-AWEZNQCLSA-N 2 1 246.358 1.382 20 0 BDADMP C[N@@H+](CCCc1ccccc1)CCOCC[NH3+] ZINC000310075552 387534657 /nfs/dbraw/zinc/53/46/57/387534657.db2.gz SRBTUSODLFHVRT-UHFFFAOYSA-N 2 1 236.359 1.526 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1c[nH+]ccc1N ZINC000643471060 387477480 /nfs/dbraw/zinc/47/74/80/387477480.db2.gz VWIXAIOVULFGSF-SDDRHHMPSA-N 2 1 249.358 1.696 20 0 BDADMP C(C[NH2+][C@@H]1CCCC12CCOCC2)[NH2+]C1CC1 ZINC000643507741 387479110 /nfs/dbraw/zinc/47/91/10/387479110.db2.gz OCIIQQCPFVDYGP-CYBMUJFWSA-N 2 1 238.375 1.677 20 0 BDADMP C[C@H]([NH2+]CC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000643507829 387479579 /nfs/dbraw/zinc/47/95/79/387479579.db2.gz RAICIDYMSRRUNS-QWRGUYRKSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)O1 ZINC000396708291 387482319 /nfs/dbraw/zinc/48/23/19/387482319.db2.gz OHPGQPVGAYPZDV-ROHXPCBUSA-N 2 1 212.337 1.282 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCC2(O)CCC2)CC1 ZINC000396800295 387493285 /nfs/dbraw/zinc/49/32/85/387493285.db2.gz YMTOIHGKMHSYIZ-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCC2(O)CCC2)CC1 ZINC000396800295 387493290 /nfs/dbraw/zinc/49/32/90/387493290.db2.gz YMTOIHGKMHSYIZ-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000422560694 387602597 /nfs/dbraw/zinc/60/25/97/387602597.db2.gz HPJZAZIKPIZKGK-DYEKYZERSA-N 3 1 239.407 1.291 20 0 BDADMP c1ccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422637302 387611597 /nfs/dbraw/zinc/61/15/97/387611597.db2.gz OGSBCZNEEKCLOA-UHFFFAOYSA-N 2 1 246.354 1.893 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422699911 387614996 /nfs/dbraw/zinc/61/49/96/387614996.db2.gz FLAONTSDQYFUPT-BNOWGMLFSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCCO1)c1c[nH+]ccc1N ZINC000422701022 387615197 /nfs/dbraw/zinc/61/51/97/387615197.db2.gz HVVKVIFPCNIXRG-GHMZBOCLSA-N 2 1 235.331 1.714 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCCO1)[C@H]1CCC[NH2+]1 ZINC000422699562 387615502 /nfs/dbraw/zinc/61/55/02/387615502.db2.gz DQQZMEZNALCFDC-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP CCCCNC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430579913 387629564 /nfs/dbraw/zinc/62/95/64/387629564.db2.gz GUUPOIWNIJDZHX-ZDUSSCGKSA-N 2 1 243.395 1.256 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000527532930 387622666 /nfs/dbraw/zinc/62/26/66/387622666.db2.gz QQFCKHDLIXDMEQ-AXFHLTTASA-N 2 1 210.321 1.038 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422708809 387623278 /nfs/dbraw/zinc/62/32/78/387623278.db2.gz JKDJKQCIRVZOOD-KBPBESRZSA-N 2 1 241.423 1.839 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422708084 387623989 /nfs/dbraw/zinc/62/39/89/387623989.db2.gz BIVXBBUDJGFXOQ-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000422712532 387625846 /nfs/dbraw/zinc/62/58/46/387625846.db2.gz GUWJDJADSQPWPV-NWDGAFQWSA-N 3 1 239.407 1.576 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422711395 387626189 /nfs/dbraw/zinc/62/61/89/387626189.db2.gz NBAPKSXJPDGYKY-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305111666 387555657 /nfs/dbraw/zinc/55/56/57/387555657.db2.gz GEBJVDUWZLMOLK-XDQVBPFNSA-N 2 1 242.407 1.713 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305111207 387555828 /nfs/dbraw/zinc/55/58/28/387555828.db2.gz CZMNGSKMQOQLFI-MJBXVCDLSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)nc1 ZINC000399680619 387565748 /nfs/dbraw/zinc/56/57/48/387565748.db2.gz QJIPFAUCDBQOJT-UKRRQHHQSA-N 2 1 247.386 1.862 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430579136 387630029 /nfs/dbraw/zinc/63/00/29/387630029.db2.gz BNWJDQBJGXJZDU-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOCC1CC1 ZINC000126718124 387694856 /nfs/dbraw/zinc/69/48/56/387694856.db2.gz IELRYGQVYRTDAA-ZDUSSCGKSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000422734439 387644034 /nfs/dbraw/zinc/64/40/34/387644034.db2.gz SIBJJXOYRIVHCC-YPMHNXCESA-N 2 1 226.364 1.391 20 0 BDADMP C[N@@H+](CCCn1ccnc1)[C@@H](CO)C(C)(C)C ZINC000305759539 387647299 /nfs/dbraw/zinc/64/72/99/387647299.db2.gz BSSMEPRBBXGWBM-LBPRGKRZSA-N 2 1 239.363 1.612 20 0 BDADMP CC[C@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000430778203 387648771 /nfs/dbraw/zinc/64/87/71/387648771.db2.gz PLMADMFFPHWGDA-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCO1)c1c[nH+]ccc1N ZINC000422740893 387649168 /nfs/dbraw/zinc/64/91/68/387649168.db2.gz CMLKNIJSCCQSKA-UWVGGRQHSA-N 2 1 221.304 1.324 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422747459 387650162 /nfs/dbraw/zinc/65/01/62/387650162.db2.gz YSMISYMCUHVGNP-YUTCNCBUSA-N 2 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000422747459 387650168 /nfs/dbraw/zinc/65/01/68/387650168.db2.gz YSMISYMCUHVGNP-YUTCNCBUSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000422748502 387653662 /nfs/dbraw/zinc/65/36/62/387653662.db2.gz UUUQOPCGUPUFNE-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000422750724 387655212 /nfs/dbraw/zinc/65/52/12/387655212.db2.gz DOGPBINQZWJKHE-STQMWFEESA-N 2 1 220.316 1.535 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000422749848 387655316 /nfs/dbraw/zinc/65/53/16/387655316.db2.gz BDERMMGQPWAEHT-RYUDHWBXSA-N 2 1 238.306 1.674 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422756869 387660684 /nfs/dbraw/zinc/66/06/84/387660684.db2.gz MATOIFNESNIGJV-GRYCIOLGSA-N 2 1 213.369 1.186 20 0 BDADMP c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)co1 ZINC000430929055 387662519 /nfs/dbraw/zinc/66/25/19/387662519.db2.gz NEUGGUGZVBJXBC-UHFFFAOYSA-N 2 1 221.304 1.250 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000422761490 387662708 /nfs/dbraw/zinc/66/27/08/387662708.db2.gz MQLWNXGQMYPSBI-XUXIUFHCSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CN1CCC[C@H](C)C1 ZINC000422761490 387662711 /nfs/dbraw/zinc/66/27/11/387662711.db2.gz MQLWNXGQMYPSBI-XUXIUFHCSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000422759732 387663066 /nfs/dbraw/zinc/66/30/66/387663066.db2.gz GARNEAVVGJKHTE-IHRRRGAJSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000422759732 387663069 /nfs/dbraw/zinc/66/30/69/387663069.db2.gz GARNEAVVGJKHTE-IHRRRGAJSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000422759732 387663071 /nfs/dbraw/zinc/66/30/71/387663071.db2.gz GARNEAVVGJKHTE-IHRRRGAJSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422765782 387666685 /nfs/dbraw/zinc/66/66/85/387666685.db2.gz LFHBSHLBOKYEJU-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)C1C[NH2+]C1 ZINC000422769548 387667008 /nfs/dbraw/zinc/66/70/08/387667008.db2.gz VEJLPXUFSGYDJD-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP CCN(CC)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422744850 387693391 /nfs/dbraw/zinc/69/33/91/387693391.db2.gz KYCGGKNFWUHXJS-GHMZBOCLSA-N 2 1 201.358 1.044 20 0 BDADMP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000422859743 387744045 /nfs/dbraw/zinc/74/40/45/387744045.db2.gz KFOIGPKWTNXLPZ-XDQVBPFNSA-N 2 1 241.423 1.965 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCCC[C@@H]1C ZINC000422859743 387744050 /nfs/dbraw/zinc/74/40/50/387744050.db2.gz KFOIGPKWTNXLPZ-XDQVBPFNSA-N 2 1 241.423 1.965 20 0 BDADMP C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861063 387744729 /nfs/dbraw/zinc/74/47/29/387744729.db2.gz IWPSFOKHDXQSHP-ZJQBRPOHSA-N 2 1 237.391 1.342 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422861529 387745417 /nfs/dbraw/zinc/74/54/17/387745417.db2.gz OIYBONWSBPBFDO-YUTCNCBUSA-N 2 1 237.391 1.473 20 0 BDADMP CC[C@@H](NCC[N@@H+](CC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422879838 387754645 /nfs/dbraw/zinc/75/46/45/387754645.db2.gz MVHBBAVTDUNEMB-KGLIPLIRSA-N 2 1 239.407 1.591 20 0 BDADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000422794605 387697197 /nfs/dbraw/zinc/69/71/97/387697197.db2.gz ZELZGUFADJCKOS-KBPBESRZSA-N 2 1 239.407 1.578 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C12CCCC2 ZINC000422808628 387708297 /nfs/dbraw/zinc/70/82/97/387708297.db2.gz QLVYJTMSYWWPDI-YNEHKIRRSA-N 2 1 238.375 1.676 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422818300 387714169 /nfs/dbraw/zinc/71/41/69/387714169.db2.gz GBAFMISQXBYMMS-CHWSQXEVSA-N 2 1 227.396 1.306 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422818472 387714698 /nfs/dbraw/zinc/71/46/98/387714698.db2.gz GJTOXGKDVLVTQD-KBPBESRZSA-N 2 1 241.423 1.839 20 0 BDADMP CC(C)CN1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000422818416 387714859 /nfs/dbraw/zinc/71/48/59/387714859.db2.gz KKYUPWCODLHLGE-CYBMUJFWSA-N 2 1 241.423 1.824 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccn(C)n1 ZINC000643523223 387725198 /nfs/dbraw/zinc/72/51/98/387725198.db2.gz YBGMMWMREKHBLT-NEPJUHHUSA-N 2 1 236.363 1.603 20 0 BDADMP C1C[C@H]2CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C[C@@H]1[NH2+]2 ZINC000422879740 387755645 /nfs/dbraw/zinc/75/56/45/387755645.db2.gz KYBZLSBMZUZCPZ-JSPOSNOBSA-N 2 1 249.402 1.486 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000422835744 387728401 /nfs/dbraw/zinc/72/84/01/387728401.db2.gz IZAAMTCDUQSORD-SCRDCRAPSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422858253 387742205 /nfs/dbraw/zinc/74/22/05/387742205.db2.gz IEVBZJONANWBRZ-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP COC(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000129152574 387764870 /nfs/dbraw/zinc/76/48/70/387764870.db2.gz XYZZUAAJQZOZGK-NEPJUHHUSA-N 2 1 242.363 1.021 20 0 BDADMP COC(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000129152574 387764872 /nfs/dbraw/zinc/76/48/72/387764872.db2.gz XYZZUAAJQZOZGK-NEPJUHHUSA-N 2 1 242.363 1.021 20 0 BDADMP COC(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000129152574 387764876 /nfs/dbraw/zinc/76/48/76/387764876.db2.gz XYZZUAAJQZOZGK-NEPJUHHUSA-N 2 1 242.363 1.021 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422910919 387768631 /nfs/dbraw/zinc/76/86/31/387768631.db2.gz RVYFGBZRHFSMMT-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422910919 387768634 /nfs/dbraw/zinc/76/86/34/387768634.db2.gz RVYFGBZRHFSMMT-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[NH3+])CC2 ZINC000643528418 387768691 /nfs/dbraw/zinc/76/86/91/387768691.db2.gz IZUMROXADHZHLH-TVQRCGJNSA-N 2 1 220.316 1.619 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(CO)c1 ZINC000643528727 387772483 /nfs/dbraw/zinc/77/24/83/387772483.db2.gz NPOMIHDLDMUXOA-VHSXEESVSA-N 2 1 208.305 1.177 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000422916903 387772913 /nfs/dbraw/zinc/77/29/13/387772913.db2.gz BWZRWSDJRZSLOM-GMTAPVOTSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000643529108 387775498 /nfs/dbraw/zinc/77/54/98/387775498.db2.gz VGPGQQPIYADCTG-ZJUUUORDSA-N 2 1 220.316 1.715 20 0 BDADMP C[C@@H]([NH2+]CC1(C)CC1)c1c[nH+]ccc1N ZINC000422923489 387777002 /nfs/dbraw/zinc/77/70/02/387777002.db2.gz WIEKGGHLQRLEHI-SECBINFHSA-N 2 1 205.305 1.945 20 0 BDADMP Cc1cccc(OCC[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422928204 387780473 /nfs/dbraw/zinc/78/04/73/387780473.db2.gz JMUMVJKXJPPXIS-KGLIPLIRSA-N 2 1 234.343 1.843 20 0 BDADMP COc1ccc(C2([NH2+][C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000422932130 387782139 /nfs/dbraw/zinc/78/21/39/387782139.db2.gz DQWAOCKBWJYILB-NSHDSACASA-N 2 1 246.354 1.882 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cn1cccn1)[C@@H]1CCC[NH2+]1 ZINC000422934357 387783307 /nfs/dbraw/zinc/78/33/07/387783307.db2.gz FMXNORZHYJKXMZ-TUAOUCFPSA-N 2 1 222.336 1.002 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422944569 387785046 /nfs/dbraw/zinc/78/50/46/387785046.db2.gz SJHJZITWOZNBSS-RTXFEEFZSA-N 2 1 248.374 1.387 20 0 BDADMP COC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432357876 387785042 /nfs/dbraw/zinc/78/50/42/387785042.db2.gz NLEAAWUVOCWBOG-STQMWFEESA-N 2 1 244.379 1.112 20 0 BDADMP COC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432357876 387785048 /nfs/dbraw/zinc/78/50/48/387785048.db2.gz NLEAAWUVOCWBOG-STQMWFEESA-N 2 1 244.379 1.112 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422979390 387788168 /nfs/dbraw/zinc/78/81/68/387788168.db2.gz MOQPCNCGCHIYKC-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC000422977962 387788710 /nfs/dbraw/zinc/78/87/10/387788710.db2.gz YCSPWTSFLOUIPL-YNEHKIRRSA-N 2 1 227.396 1.434 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422977962 387788711 /nfs/dbraw/zinc/78/87/11/387788711.db2.gz YCSPWTSFLOUIPL-YNEHKIRRSA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422977962 387788713 /nfs/dbraw/zinc/78/87/13/387788713.db2.gz YCSPWTSFLOUIPL-YNEHKIRRSA-N 3 1 227.396 1.434 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422978924 387789304 /nfs/dbraw/zinc/78/93/04/387789304.db2.gz KZBGZEPWFMJSPO-ZOWXZIJZSA-N 2 1 248.370 1.911 20 0 BDADMP COCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422986846 387795738 /nfs/dbraw/zinc/79/57/38/387795738.db2.gz DLRPKLBVUKZJGY-NWDGAFQWSA-N 2 1 226.364 1.391 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC23CC(C2)CO3)[C@@H](C)C1 ZINC000527978967 387796634 /nfs/dbraw/zinc/79/66/34/387796634.db2.gz LZQYCCIRVAFWSA-RJZJGCCBSA-N 2 1 238.375 1.485 20 0 BDADMP CCN1CCC([N@@H+](C)CCOC(C)C)CC1 ZINC000157449274 387798172 /nfs/dbraw/zinc/79/81/72/387798172.db2.gz QXLDHAGGHOKXAE-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCOC(C)C)CC1 ZINC000157449274 387798181 /nfs/dbraw/zinc/79/81/81/387798181.db2.gz QXLDHAGGHOKXAE-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422991477 387799790 /nfs/dbraw/zinc/79/97/90/387799790.db2.gz BFBZNVQDVJFTDB-GRYCIOLGSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422990973 387800259 /nfs/dbraw/zinc/80/02/59/387800259.db2.gz OVOHPDPJBYVIAW-XQHKEYJVSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422990973 387800265 /nfs/dbraw/zinc/80/02/65/387800265.db2.gz OVOHPDPJBYVIAW-XQHKEYJVSA-N 2 1 225.380 1.044 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)[nH]n1 ZINC000422993703 387801627 /nfs/dbraw/zinc/80/16/27/387801627.db2.gz TZIXQLOLTMLZKM-NDMJEZRESA-N 2 1 236.363 1.379 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n[nH]1 ZINC000422993703 387801631 /nfs/dbraw/zinc/80/16/31/387801631.db2.gz TZIXQLOLTMLZKM-NDMJEZRESA-N 2 1 236.363 1.379 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccccn1 ZINC000422995338 387802187 /nfs/dbraw/zinc/80/21/87/387802187.db2.gz JVIJVIWAYFQKDM-OCCSQVGLSA-N 2 1 233.359 1.602 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccccn1 ZINC000422995335 387802271 /nfs/dbraw/zinc/80/22/71/387802271.db2.gz JVIJVIWAYFQKDM-GXTWGEPZSA-N 2 1 233.359 1.602 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)[nH]n1 ZINC000422993701 387803261 /nfs/dbraw/zinc/80/32/61/387803261.db2.gz TZIXQLOLTMLZKM-CDMKHQONSA-N 2 1 236.363 1.379 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n[nH]1 ZINC000422993701 387803263 /nfs/dbraw/zinc/80/32/63/387803263.db2.gz TZIXQLOLTMLZKM-CDMKHQONSA-N 2 1 236.363 1.379 20 0 BDADMP C[C@H]([NH2+]CCCc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000423001478 387805575 /nfs/dbraw/zinc/80/55/75/387805575.db2.gz XICAHHJOCSMZKY-JSGCOSHPSA-N 2 1 233.359 1.744 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422952485 387809782 /nfs/dbraw/zinc/80/97/82/387809782.db2.gz CNEJFMRJBOSBBG-IJLUTSLNSA-N 3 1 238.379 1.543 20 0 BDADMP CC(C)[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882358 387757699 /nfs/dbraw/zinc/75/76/99/387757699.db2.gz SAJBMCAMODXMOZ-FUNVUKJBSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000422887967 387760540 /nfs/dbraw/zinc/76/05/40/387760540.db2.gz BUYMWFOCBOVNBU-BDAKNGLRSA-N 2 1 211.284 1.436 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000422972942 387820814 /nfs/dbraw/zinc/82/08/14/387820814.db2.gz NDCSURDQSFXCRS-UPJWGTAASA-N 2 1 208.349 1.930 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422974636 387823706 /nfs/dbraw/zinc/82/37/06/387823706.db2.gz RKGCYAJOOLPLPY-MNOVXSKESA-N 2 1 214.353 1.125 20 0 BDADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422975081 387824374 /nfs/dbraw/zinc/82/43/74/387824374.db2.gz SHROYWZXLZCQRG-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCOC3)CC[NH2+]2)cc1 ZINC000423003222 387826217 /nfs/dbraw/zinc/82/62/17/387826217.db2.gz LCIOSKFRADALRD-ILXRZTDVSA-N 2 1 246.354 1.858 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1c[nH+]ccc1N ZINC000423003367 387826232 /nfs/dbraw/zinc/82/62/32/387826232.db2.gz HPEYWQPUOHELLB-SRVKXCTJSA-N 2 1 249.358 1.696 20 0 BDADMP CCOCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423008038 387831332 /nfs/dbraw/zinc/83/13/32/387831332.db2.gz ZDZZRUGIUYWQBN-QWHCGFSZSA-N 2 1 240.391 1.781 20 0 BDADMP CC[C@H](C)[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000442771143 387837111 /nfs/dbraw/zinc/83/71/11/387837111.db2.gz PHUZDZUKWORACX-IUCAKERBSA-N 2 1 238.335 1.844 20 0 BDADMP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)nc1 ZINC000423015482 387838322 /nfs/dbraw/zinc/83/83/22/387838322.db2.gz RFAQNBIJNSVOLT-NEPJUHHUSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000643459656 387848835 /nfs/dbraw/zinc/84/88/35/387848835.db2.gz LMWZHLLJFVNWNU-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H](N[C@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032731 387849660 /nfs/dbraw/zinc/84/96/60/387849660.db2.gz NBGCKNMQVKTMKI-LOWDOPEQSA-N 2 1 225.380 1.199 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169233721 387851379 /nfs/dbraw/zinc/85/13/79/387851379.db2.gz VITXGOQHFNYKKG-XDTLVQLUSA-N 2 1 220.316 1.756 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000423074113 387874298 /nfs/dbraw/zinc/87/42/98/387874298.db2.gz TZAFYIWXPKSMCI-HBNTYKKESA-N 2 1 235.331 1.712 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051708 387861158 /nfs/dbraw/zinc/86/11/58/387861158.db2.gz OBQBSFCNFGVDMC-NEPJUHHUSA-N 2 1 226.364 1.127 20 0 BDADMP CC[C@H]([NH2+]C[C@H](C)OC)[C@@H]1CCC[NH2+]1 ZINC000423062303 387867839 /nfs/dbraw/zinc/86/78/39/387867839.db2.gz SVSLUKHWYDOQCO-DCAQKATOSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423065884 387870061 /nfs/dbraw/zinc/87/00/61/387870061.db2.gz VMMMIZPLDXKGER-BJDJZHNGSA-N 2 1 226.364 1.266 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423069801 387872167 /nfs/dbraw/zinc/87/21/67/387872167.db2.gz MFLANNUNQYODGV-NAKRPEOUSA-N 2 1 200.326 1.140 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N1CCCC1 ZINC000422962515 387814954 /nfs/dbraw/zinc/81/49/54/387814954.db2.gz FYWOADSPPDODMD-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422965647 387815747 /nfs/dbraw/zinc/81/57/47/387815747.db2.gz PDJYUDRMNCQGOD-NEPJUHHUSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000442663172 387817924 /nfs/dbraw/zinc/81/79/24/387817924.db2.gz IZGKWEQLWLYUMH-ZFWWWQNUSA-N 2 1 247.386 1.934 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000442663172 387817928 /nfs/dbraw/zinc/81/79/28/387817928.db2.gz IZGKWEQLWLYUMH-ZFWWWQNUSA-N 2 1 247.386 1.934 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC000648430004 387818205 /nfs/dbraw/zinc/81/82/05/387818205.db2.gz BWAPKXHZBQHZCA-MJBXVCDLSA-N 2 1 240.391 1.874 20 0 BDADMP CCSCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423102889 387889652 /nfs/dbraw/zinc/88/96/52/387889652.db2.gz AGEMRSLMHZAMBN-WDEREUQCSA-N 2 1 216.394 1.717 20 0 BDADMP C[C@H]([NH2+]CC1(CO)CCCC1)c1c[nH+]ccc1N ZINC000423054501 387891260 /nfs/dbraw/zinc/89/12/60/387891260.db2.gz URQRYPSWQAIRAM-NSHDSACASA-N 2 1 249.358 1.697 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423114947 387895817 /nfs/dbraw/zinc/89/58/17/387895817.db2.gz WMGOGYDSDDOZRI-UPJWGTAASA-N 2 1 227.396 1.576 20 0 BDADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423077042 387876002 /nfs/dbraw/zinc/87/60/02/387876002.db2.gz LERNMGPIABYQGH-RBSFLKMASA-N 2 1 246.354 1.716 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152413567 387882995 /nfs/dbraw/zinc/88/29/95/387882995.db2.gz XYJXZINTUUSKSR-MGPQQGTHSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000423141204 387918711 /nfs/dbraw/zinc/91/87/11/387918711.db2.gz OODYDHCQGHOXKG-OUAUKWLOSA-N 2 1 200.326 1.142 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000423141907 387919151 /nfs/dbraw/zinc/91/91/51/387919151.db2.gz SJBCBHYYYCUREI-HZSPNIEDSA-N 2 1 241.423 1.824 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000236795927 387904100 /nfs/dbraw/zinc/90/41/00/387904100.db2.gz YCKXNXADMVXWGX-LBPRGKRZSA-N 2 1 243.395 1.350 20 0 BDADMP COCC1(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423128780 387907359 /nfs/dbraw/zinc/90/73/59/387907359.db2.gz DLGOFNJZTNXIJA-OLZOCXBDSA-N 2 1 240.391 1.781 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423129423 387907374 /nfs/dbraw/zinc/90/73/74/387907374.db2.gz XAHBDMJPFGQXQI-IHRRRGAJSA-N 2 1 241.423 1.837 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423129427 387907560 /nfs/dbraw/zinc/90/75/60/387907560.db2.gz XAHBDMJPFGQXQI-MELADBBJSA-N 2 1 241.423 1.837 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423130710 387907881 /nfs/dbraw/zinc/90/78/81/387907881.db2.gz YRSJHVGCJQBQLX-JHJVBQTASA-N 2 1 229.412 1.822 20 0 BDADMP CCCCN(C)C[C@@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423130710 387907882 /nfs/dbraw/zinc/90/78/82/387907882.db2.gz YRSJHVGCJQBQLX-JHJVBQTASA-N 2 1 229.412 1.822 20 0 BDADMP C(CC[NH2+][C@H]1CC[NH2+]C1)CC[NH+]1CCCC1 ZINC000423132567 387909354 /nfs/dbraw/zinc/90/93/54/387909354.db2.gz JHSWYEIGOMSGAW-ZDUSSCGKSA-N 3 1 225.380 1.204 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423133164 387909498 /nfs/dbraw/zinc/90/94/98/387909498.db2.gz CHAZPGBTAQKELW-MGPQQGTHSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@H]([NH2+]CC1=CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000423132453 387909630 /nfs/dbraw/zinc/90/96/30/387909630.db2.gz UPUHXZNNFFLPKF-STQMWFEESA-N 2 1 224.348 1.453 20 0 BDADMP C(CC[NH2+][C@@H]1CC[NH2+]C1)CC[NH+]1CCCC1 ZINC000423132566 387909886 /nfs/dbraw/zinc/90/98/86/387909886.db2.gz JHSWYEIGOMSGAW-CYBMUJFWSA-N 3 1 225.380 1.204 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc[nH]c(=O)c1 ZINC000423139291 387915877 /nfs/dbraw/zinc/91/58/77/387915877.db2.gz VGWKURKQENUHOR-SCVCMEIPSA-N 2 1 235.331 1.578 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000423153808 387931368 /nfs/dbraw/zinc/93/13/68/387931368.db2.gz ICCSIPOWAFDEQH-GXSJLCMTSA-N 2 1 223.320 1.454 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423163833 387923158 /nfs/dbraw/zinc/92/31/58/387923158.db2.gz NPAMZXZWMOLLCO-GXTWGEPZSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000423167335 387952111 /nfs/dbraw/zinc/95/21/11/387952111.db2.gz SCSRSGMHLPTSDF-RAIGVLPGSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H](C[NH3+])[N@H+](C)CCCOCC(F)(F)F ZINC000158509852 387953745 /nfs/dbraw/zinc/95/37/45/387953745.db2.gz DGJNJDKCRBYEPQ-QMMMGPOBSA-N 2 1 228.258 1.234 20 0 BDADMP C[C@@H](C[NH3+])[N@@H+](C)CCCOCC(F)(F)F ZINC000158509852 387953747 /nfs/dbraw/zinc/95/37/47/387953747.db2.gz DGJNJDKCRBYEPQ-QMMMGPOBSA-N 2 1 228.258 1.234 20 0 BDADMP CCCc1ncc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000423168770 387955250 /nfs/dbraw/zinc/95/52/50/387955250.db2.gz YKUUEAYVKNYUKR-PWSUYJOCSA-N 2 1 237.347 1.844 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423158520 387939588 /nfs/dbraw/zinc/93/95/88/387939588.db2.gz CZDDRQDXIRCLKX-WYUUTHIRSA-N 2 1 212.337 1.284 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423160507 387941015 /nfs/dbraw/zinc/94/10/15/387941015.db2.gz HPCKHZHLHUCBTL-YVECIDJPSA-N 2 1 226.364 1.674 20 0 BDADMP COc1cccnc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423162068 387942775 /nfs/dbraw/zinc/94/27/75/387942775.db2.gz KEXJZZHYFRDZRH-ZJUUUORDSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cncn2C)C[C@H](C2CC2)O1 ZINC000459447719 387944821 /nfs/dbraw/zinc/94/48/21/387944821.db2.gz UXPILCIAJJOOHB-SMDDNHRTSA-N 2 1 249.358 1.462 20 0 BDADMP C[C@H]1CN(CCc2cncn2C)C[C@H](C2CC2)O1 ZINC000459447719 387944823 /nfs/dbraw/zinc/94/48/23/387944823.db2.gz UXPILCIAJJOOHB-SMDDNHRTSA-N 2 1 249.358 1.462 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245431103 387945143 /nfs/dbraw/zinc/94/51/43/387945143.db2.gz AMMUAVZBYRLIKI-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423163524 387946567 /nfs/dbraw/zinc/94/65/67/387946567.db2.gz VSNNVJURVKXQOW-AXFHLTTASA-N 2 1 214.353 1.124 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccoc1C ZINC000321097504 387946955 /nfs/dbraw/zinc/94/69/55/387946955.db2.gz RQXQSAXJNCUHQV-UHFFFAOYSA-N 2 1 219.288 1.883 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000423175792 387961851 /nfs/dbraw/zinc/96/18/51/387961851.db2.gz FCZGVMPJGAKEJK-GXTWGEPZSA-N 2 1 247.386 1.947 20 0 BDADMP COCCC[C@H]([NH2+]CC[NH3+])c1ccc(F)cc1 ZINC000423180709 387966054 /nfs/dbraw/zinc/96/60/54/387966054.db2.gz INXXKKAIUSLDDJ-ZDUSSCGKSA-N 2 1 240.322 1.842 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCOC1 ZINC000245624861 387967166 /nfs/dbraw/zinc/96/71/66/387967166.db2.gz OQRWKVHAZRFHTH-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCCOC1 ZINC000245624861 387967170 /nfs/dbraw/zinc/96/71/70/387967170.db2.gz OQRWKVHAZRFHTH-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCCOC1 ZINC000245624861 387967172 /nfs/dbraw/zinc/96/71/72/387967172.db2.gz OQRWKVHAZRFHTH-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000423188587 387973998 /nfs/dbraw/zinc/97/39/98/387973998.db2.gz LQLYBUGGFHDWOC-BPCQOVAHSA-N 2 1 226.364 1.533 20 0 BDADMP CCCCO[C@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C ZINC000423192001 387978140 /nfs/dbraw/zinc/97/81/40/387978140.db2.gz UZDWNJPHHNVZJI-QWRGUYRKSA-N 2 1 214.353 1.519 20 0 BDADMP Cc1ncsc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400495874 387978317 /nfs/dbraw/zinc/97/83/17/387978317.db2.gz AYAJTXMKPHYEIF-MWLCHTKSSA-N 2 1 239.388 1.724 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000423200957 387987748 /nfs/dbraw/zinc/98/77/48/387987748.db2.gz NQHFDQVVTNLXEO-SNVBAGLBSA-N 2 1 208.305 1.652 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CC[C@H](O)CC1 ZINC000439281024 387989886 /nfs/dbraw/zinc/98/98/86/387989886.db2.gz FQIMIEKUKJYIIQ-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[C@H](O)CC1 ZINC000439281024 387989893 /nfs/dbraw/zinc/98/98/93/387989893.db2.gz FQIMIEKUKJYIIQ-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CC[C@H](O)CC1 ZINC000439281024 387989899 /nfs/dbraw/zinc/98/98/99/387989899.db2.gz FQIMIEKUKJYIIQ-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424370507 387993400 /nfs/dbraw/zinc/99/34/00/387993400.db2.gz DLLBNDZLCGKFAH-OASPWFOLSA-N 2 1 236.363 1.649 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000423208070 387993778 /nfs/dbraw/zinc/99/37/78/387993778.db2.gz YQIPJKZQZGKHTQ-LLVKDONJSA-N 2 1 224.352 1.724 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423216090 387997822 /nfs/dbraw/zinc/99/78/22/387997822.db2.gz PJVSDQLNOBWRPF-VXGBXAGGSA-N 2 1 212.337 1.143 20 0 BDADMP COCCCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420406772 387999337 /nfs/dbraw/zinc/99/93/37/387999337.db2.gz NZAONISLAMLHRK-QWHCGFSZSA-N 2 1 228.380 1.720 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC[NH2+]C ZINC000423223311 388003341 /nfs/dbraw/zinc/00/33/41/388003341.db2.gz FWXMULDNNRKNIX-WDEREUQCSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423225062 388007351 /nfs/dbraw/zinc/00/73/51/388007351.db2.gz LDTKAKJWSLZATD-RYUDHWBXSA-N 2 1 228.380 1.635 20 0 BDADMP COc1cc([C@H](C)[NH2+]CC[C@@H](C)[NH3+])c(F)cn1 ZINC000423225581 388008339 /nfs/dbraw/zinc/00/83/39/388008339.db2.gz NJGGNUQRVCANKT-BDAKNGLRSA-N 2 1 241.310 1.617 20 0 BDADMP CCCCO[C@@H]1C[C@@H]([NH2+]CC[NH2+]C)C1(C)C ZINC000423226883 388010936 /nfs/dbraw/zinc/01/09/36/388010936.db2.gz SQQKOAWZXSYMMZ-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP CCn1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424373635 387996348 /nfs/dbraw/zinc/99/63/48/387996348.db2.gz JWYDUYXMQSXMIT-RAIGVLPGSA-N 2 1 236.363 1.824 20 0 BDADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000423241280 388023760 /nfs/dbraw/zinc/02/37/60/388023760.db2.gz UWHYPBUVOVTGMF-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH2+]C)C1(CC)CC ZINC000423228189 388013780 /nfs/dbraw/zinc/01/37/80/388013780.db2.gz YQCOVGAGGXCFLT-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423258345 388039191 /nfs/dbraw/zinc/03/91/91/388039191.db2.gz BJBXNQVZERFSCJ-RYUDHWBXSA-N 2 1 216.369 1.765 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000423265355 388044574 /nfs/dbraw/zinc/04/45/74/388044574.db2.gz QVGYGPYEOYFBRB-AVGNSLFASA-N 2 1 227.396 1.290 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000423261536 388040305 /nfs/dbraw/zinc/04/03/05/388040305.db2.gz KBDTULPGRPBCFX-IJLUTSLNSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423262885 388041160 /nfs/dbraw/zinc/04/11/60/388041160.db2.gz NPWWXQQTTWOGQB-MCIONIFRSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423263999 388041632 /nfs/dbraw/zinc/04/16/32/388041632.db2.gz PJYQIRWXMBJKRS-JHJVBQTASA-N 2 1 239.407 1.575 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000423245358 388028125 /nfs/dbraw/zinc/02/81/25/388028125.db2.gz OSLZHGKEZYIUIM-NWANDNLSSA-N 2 1 247.386 1.616 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423244885 388028857 /nfs/dbraw/zinc/02/88/57/388028857.db2.gz XXZVTPHTGOFCNE-JHJVBQTASA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H](NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272304 388050925 /nfs/dbraw/zinc/05/09/25/388050925.db2.gz JUOMCJIJPVSXPK-AGIUHOORSA-N 2 1 225.380 1.106 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccncc1F ZINC000423272344 388051296 /nfs/dbraw/zinc/05/12/96/388051296.db2.gz JXOWBLQRYQDQBM-UWVGGRQHSA-N 2 1 225.311 1.727 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cn(C)nc1C ZINC000423273669 388053665 /nfs/dbraw/zinc/05/36/65/388053665.db2.gz LHVAFIGKTQWLKT-VHSXEESVSA-N 2 1 224.352 1.235 20 0 BDADMP Cc1ccncc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423325169 388053800 /nfs/dbraw/zinc/05/38/00/388053800.db2.gz LDPHBXKWZKCFSF-LLVKDONJSA-N 2 1 219.332 1.922 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)C1CC1 ZINC000423274962 388054460 /nfs/dbraw/zinc/05/44/60/388054460.db2.gz KZPNUXVGFQMURN-KGLIPLIRSA-N 2 1 246.354 1.707 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000423275214 388056560 /nfs/dbraw/zinc/05/65/60/388056560.db2.gz MXMAMTUOJHTFFA-HZSPNIEDSA-N 2 1 239.407 1.496 20 0 BDADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1(C)C ZINC000423275343 388056618 /nfs/dbraw/zinc/05/66/18/388056618.db2.gz LSIAIVGIBJXARI-JHJVBQTASA-N 2 1 240.391 1.905 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423277766 388058305 /nfs/dbraw/zinc/05/83/05/388058305.db2.gz OPQDISZMBOAQHR-IGQOVBAYSA-N 2 1 239.407 1.434 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423277766 388058308 /nfs/dbraw/zinc/05/83/08/388058308.db2.gz OPQDISZMBOAQHR-IGQOVBAYSA-N 2 1 239.407 1.434 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000423281004 388063216 /nfs/dbraw/zinc/06/32/16/388063216.db2.gz VFZWHKMXTMTYRB-VHSXEESVSA-N 2 1 236.363 1.600 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423285404 388069106 /nfs/dbraw/zinc/06/91/06/388069106.db2.gz ZMTSQMIMEBELPP-FQUUOJAGSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423285404 388069110 /nfs/dbraw/zinc/06/91/10/388069110.db2.gz ZMTSQMIMEBELPP-FQUUOJAGSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423285404 388069113 /nfs/dbraw/zinc/06/91/13/388069113.db2.gz ZMTSQMIMEBELPP-FQUUOJAGSA-N 3 1 239.407 1.304 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423284822 388069790 /nfs/dbraw/zinc/06/97/90/388069790.db2.gz YQGOBICJZMKQDW-GMXVVIOVSA-N 2 1 225.380 1.185 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423286510 388071492 /nfs/dbraw/zinc/07/14/92/388071492.db2.gz HSDDCLGMABBFFB-VXGBXAGGSA-N 2 1 239.407 1.719 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423286510 388071495 /nfs/dbraw/zinc/07/14/95/388071495.db2.gz HSDDCLGMABBFFB-VXGBXAGGSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453406483 388074606 /nfs/dbraw/zinc/07/46/06/388074606.db2.gz RDCWABWWZCFEDZ-DGCLKSJQSA-N 2 1 226.364 1.628 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000423294821 388076809 /nfs/dbraw/zinc/07/68/09/388076809.db2.gz CUFXVCYILLBDBC-QJPTWQEYSA-N 2 1 214.353 1.519 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423295477 388076978 /nfs/dbraw/zinc/07/69/78/388076978.db2.gz APZIECAJNBAJQV-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP CCC[NH2+]CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423295479 388077287 /nfs/dbraw/zinc/07/72/87/388077287.db2.gz APZIECAJNBAJQV-STQMWFEESA-N 2 1 225.380 1.202 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccnc1 ZINC000084384801 388078282 /nfs/dbraw/zinc/07/82/82/388078282.db2.gz SGFZKZTTYRNPHV-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423297638 388079234 /nfs/dbraw/zinc/07/92/34/388079234.db2.gz LCNLVUUUYVVLGM-OUCADQQQSA-N 2 1 239.407 1.576 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H](C)OC ZINC000423298335 388079801 /nfs/dbraw/zinc/07/98/01/388079801.db2.gz OCCOFGMYWXOACU-OUAUKWLOSA-N 2 1 202.342 1.517 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000423297957 388080098 /nfs/dbraw/zinc/08/00/98/388080098.db2.gz MNZTUHFRTUXDCD-UPJWGTAASA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCCN1 ZINC000333286311 388100844 /nfs/dbraw/zinc/10/08/44/388100844.db2.gz NKBQXYZOLQSCIT-XVSSEFHLSA-N 2 1 225.380 1.377 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000336661605 388107075 /nfs/dbraw/zinc/10/70/75/388107075.db2.gz KCLCRAHUDNXKQB-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336661605 388107088 /nfs/dbraw/zinc/10/70/88/388107088.db2.gz KCLCRAHUDNXKQB-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336661605 388107092 /nfs/dbraw/zinc/10/70/92/388107092.db2.gz KCLCRAHUDNXKQB-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)COC1 ZINC000343096130 388050255 /nfs/dbraw/zinc/05/02/55/388050255.db2.gz QJOZESUAHITODQ-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423270826 388050240 /nfs/dbraw/zinc/05/02/40/388050240.db2.gz WZOLYKKRSKAWEX-AAEUAGOBSA-N 3 1 227.396 1.611 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000449243368 388161629 /nfs/dbraw/zinc/16/16/29/388161629.db2.gz KIBXYZBGDMAQSO-ZIAGYGMSSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000449243368 388161630 /nfs/dbraw/zinc/16/16/30/388161630.db2.gz KIBXYZBGDMAQSO-ZIAGYGMSSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000488563659 388185741 /nfs/dbraw/zinc/18/57/41/388185741.db2.gz UICLTXYYFLQEQL-XQHKEYJVSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000488563659 388185744 /nfs/dbraw/zinc/18/57/44/388185744.db2.gz UICLTXYYFLQEQL-XQHKEYJVSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000488563659 388185746 /nfs/dbraw/zinc/18/57/46/388185746.db2.gz UICLTXYYFLQEQL-XQHKEYJVSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000488563659 388185748 /nfs/dbraw/zinc/18/57/48/388185748.db2.gz UICLTXYYFLQEQL-XQHKEYJVSA-N 2 1 208.349 1.668 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000449107283 388143521 /nfs/dbraw/zinc/14/35/21/388143521.db2.gz OWTWBERIVRUNLH-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCOCC1 ZINC000164420859 388238202 /nfs/dbraw/zinc/23/82/02/388238202.db2.gz VHSODRJDFMYEBG-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000451633933 388286213 /nfs/dbraw/zinc/28/62/13/388286213.db2.gz SCBSENOHXUMUPP-CHWSQXEVSA-N 2 1 237.347 1.739 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000233782174 388349362 /nfs/dbraw/zinc/34/93/62/388349362.db2.gz JUEMYVUTQZZUES-AEJSXWLSSA-N 2 1 200.326 1.127 20 0 BDADMP CSC1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC000304263560 388357284 /nfs/dbraw/zinc/35/72/84/388357284.db2.gz JMQZRZGDWXMRDA-NWDGAFQWSA-N 2 1 240.416 1.956 20 0 BDADMP CSC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC000304263560 388357287 /nfs/dbraw/zinc/35/72/87/388357287.db2.gz JMQZRZGDWXMRDA-NWDGAFQWSA-N 2 1 240.416 1.956 20 0 BDADMP C[C@H](C[NH2+][C@H](C)c1cccnc1)C[NH+](C)C ZINC000293655456 388357295 /nfs/dbraw/zinc/35/72/95/388357295.db2.gz LPDJUKIMZNZKFJ-VXGBXAGGSA-N 2 1 221.348 1.930 20 0 BDADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000572881770 388383972 /nfs/dbraw/zinc/38/39/72/388383972.db2.gz NZDMEHXOOWSHMR-RJZRQDKASA-N 2 1 248.370 1.712 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000165626996 388406273 /nfs/dbraw/zinc/40/62/73/388406273.db2.gz XZBDEIMZTDOJAM-YPMHNXCESA-N 2 1 237.347 1.596 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCn1ccnc1 ZINC000308632902 388445881 /nfs/dbraw/zinc/44/58/81/388445881.db2.gz HHWJNTYTPHOTEN-UHFFFAOYSA-N 2 1 236.363 1.347 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000336687947 388463783 /nfs/dbraw/zinc/46/37/83/388463783.db2.gz GUVNUVXKWGHGIR-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CCC1 ZINC000336687947 388463785 /nfs/dbraw/zinc/46/37/85/388463785.db2.gz GUVNUVXKWGHGIR-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1CCC1 ZINC000336687947 388463787 /nfs/dbraw/zinc/46/37/87/388463787.db2.gz GUVNUVXKWGHGIR-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1CCC1 ZINC000336687947 388463788 /nfs/dbraw/zinc/46/37/88/388463788.db2.gz GUVNUVXKWGHGIR-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCSCC1 ZINC000336725063 388470015 /nfs/dbraw/zinc/47/00/15/388470015.db2.gz BIXZXYNAFSWJQV-JQWIXIFHSA-N 2 1 246.420 1.030 20 0 BDADMP CC[C@@H](C)C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000336725393 388470064 /nfs/dbraw/zinc/47/00/64/388470064.db2.gz GKIVHMRGHFAHIT-ZJUUUORDSA-N 2 1 207.321 1.903 20 0 BDADMP CCc1cc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000649253110 388471058 /nfs/dbraw/zinc/47/10/58/388471058.db2.gz NCJFIHWLPSOABA-RYUDHWBXSA-N 2 1 249.358 1.321 20 0 BDADMP CCn1cncc1CN[C@H](C)C[N@@H+](C)C(C)C ZINC000310089055 388475658 /nfs/dbraw/zinc/47/56/58/388475658.db2.gz IJIKGKPVTJJJBE-GFCCVEGCSA-N 2 1 238.379 1.721 20 0 BDADMP CCn1cncc1C[NH2+][C@H](C)CN(C)C(C)C ZINC000310089055 388475659 /nfs/dbraw/zinc/47/56/59/388475659.db2.gz IJIKGKPVTJJJBE-GFCCVEGCSA-N 2 1 238.379 1.721 20 0 BDADMP CC[N@H+](CCNCc1c[nH+]c(C)n1C)C(C)C ZINC000517176425 388540787 /nfs/dbraw/zinc/54/07/87/388540787.db2.gz NALUSLUAUVXHKE-UHFFFAOYSA-N 2 1 238.379 1.548 20 0 BDADMP CC[N@@H+](CCNCc1c[nH+]c(C)n1C)C(C)C ZINC000517176425 388540789 /nfs/dbraw/zinc/54/07/89/388540789.db2.gz NALUSLUAUVXHKE-UHFFFAOYSA-N 2 1 238.379 1.548 20 0 BDADMP COC1(C[NH2+]CCC[NH+]2CCC2)CCCC1 ZINC000517245890 388546027 /nfs/dbraw/zinc/54/60/27/388546027.db2.gz FFTLWBCMXZSSEE-UHFFFAOYSA-N 2 1 226.364 1.631 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000340463455 388490927 /nfs/dbraw/zinc/49/09/27/388490927.db2.gz QMYPWEVSDIGQRO-OUAUKWLOSA-N 2 1 202.317 1.664 20 0 BDADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000085282234 256769409 /nfs/dbraw/zinc/76/94/09/256769409.db2.gz BDRMEZWQCQXSOH-QWRGUYRKSA-N 2 1 206.289 1.239 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)[C@H]1C[NH3+] ZINC000252138658 388604609 /nfs/dbraw/zinc/60/46/09/388604609.db2.gz LWOYAEVYXFKKFQ-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)[C@H]1C[NH3+] ZINC000252138658 388604610 /nfs/dbraw/zinc/60/46/10/388604610.db2.gz LWOYAEVYXFKKFQ-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328158938 388558895 /nfs/dbraw/zinc/55/88/95/388558895.db2.gz GTPSXPFKWPUOHR-MELADBBJSA-N 2 1 240.391 1.598 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](CCCCF)C1 ZINC000521063330 388560969 /nfs/dbraw/zinc/56/09/69/388560969.db2.gz QIQCLBQEOHZRDW-NSHDSACASA-N 2 1 225.311 1.959 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548885426 388567813 /nfs/dbraw/zinc/56/78/13/388567813.db2.gz YFSNOUJMZSWSOG-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000517712901 256831986 /nfs/dbraw/zinc/83/19/86/256831986.db2.gz QEHOFGURYGXELK-FRRDWIJNSA-N 3 1 225.380 1.106 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@@H](C)C1 ZINC000248046622 388673466 /nfs/dbraw/zinc/67/34/66/388673466.db2.gz VEKWWMHJTALQDO-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](CC1CCCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000125591487 388673666 /nfs/dbraw/zinc/67/36/66/388673666.db2.gz JDCPSQJRWSUWLJ-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC000248418144 388678498 /nfs/dbraw/zinc/67/84/98/388678498.db2.gz KDEOJENJJJVKTD-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[S@](C)=O)[C@H](C)C1 ZINC000248443739 388680569 /nfs/dbraw/zinc/68/05/69/388680569.db2.gz BFEYKUZOITUWDF-YMEQNVIZSA-N 2 1 246.420 1.073 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[S@](C)=O)[C@H](C)C1 ZINC000248443739 388680572 /nfs/dbraw/zinc/68/05/72/388680572.db2.gz BFEYKUZOITUWDF-YMEQNVIZSA-N 2 1 246.420 1.073 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179201 388620559 /nfs/dbraw/zinc/62/05/59/388620559.db2.gz QNKINISSJKIPOB-WDEREUQCSA-N 2 1 212.337 1.286 20 0 BDADMP Cc1cnccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000530214219 388629165 /nfs/dbraw/zinc/62/91/65/388629165.db2.gz YQLRBMQNPFSPMG-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP Cc1cnccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000530214219 388629168 /nfs/dbraw/zinc/62/91/68/388629168.db2.gz YQLRBMQNPFSPMG-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000530223338 388632702 /nfs/dbraw/zinc/63/27/02/388632702.db2.gz UEXKNXQGOJDPNF-NEPJUHHUSA-N 2 1 205.305 1.359 20 0 BDADMP CC1(C)CC(C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000530222226 388632976 /nfs/dbraw/zinc/63/29/76/388632976.db2.gz GHAJWCHVNPYKOE-LBPRGKRZSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]([NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000530224088 388633695 /nfs/dbraw/zinc/63/36/95/388633695.db2.gz KXXSHZQFDTYXCK-MJYBNVITSA-N 2 1 226.364 1.528 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C(C)(C)C)CC[N@@H+]1C ZINC000248567959 388684634 /nfs/dbraw/zinc/68/46/34/388684634.db2.gz PQOXHGXWFQVMNG-JHJVBQTASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C(C)(C)C)CC[N@H+]1C ZINC000248567959 388684635 /nfs/dbraw/zinc/68/46/35/388684635.db2.gz PQOXHGXWFQVMNG-JHJVBQTASA-N 2 1 242.407 1.856 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000083397619 388639411 /nfs/dbraw/zinc/63/94/11/388639411.db2.gz NLQZLEHFWRJCRE-OLZOCXBDSA-N 2 1 228.380 1.589 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000222833429 388645237 /nfs/dbraw/zinc/64/52/37/388645237.db2.gz HXGPRGUKLQDBHS-RYUDHWBXSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222833429 388645239 /nfs/dbraw/zinc/64/52/39/388645239.db2.gz HXGPRGUKLQDBHS-RYUDHWBXSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222833429 388645243 /nfs/dbraw/zinc/64/52/43/388645243.db2.gz HXGPRGUKLQDBHS-RYUDHWBXSA-N 2 1 213.369 1.010 20 0 BDADMP C[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000246865136 388653460 /nfs/dbraw/zinc/65/34/60/388653460.db2.gz CFTNRZBZVWYNCJ-AGIUHOORSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000246865136 388653463 /nfs/dbraw/zinc/65/34/63/388653463.db2.gz CFTNRZBZVWYNCJ-AGIUHOORSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000246865136 388653464 /nfs/dbraw/zinc/65/34/64/388653464.db2.gz CFTNRZBZVWYNCJ-AGIUHOORSA-N 2 1 239.407 1.541 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000123828435 388658285 /nfs/dbraw/zinc/65/82/85/388658285.db2.gz RSYLJAPZWCWBLK-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000123828435 388658286 /nfs/dbraw/zinc/65/82/86/388658286.db2.gz RSYLJAPZWCWBLK-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000190953318 388659115 /nfs/dbraw/zinc/65/91/15/388659115.db2.gz KMXIZYQBHGSHJX-QWHCGFSZSA-N 2 1 249.358 1.805 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000248659881 388689518 /nfs/dbraw/zinc/68/95/18/388689518.db2.gz VLABRDCFWMNYTM-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248734740 388691820 /nfs/dbraw/zinc/69/18/20/388691820.db2.gz BSCBFNJPFCSRII-XJFOESAGSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248734740 388691823 /nfs/dbraw/zinc/69/18/23/388691823.db2.gz BSCBFNJPFCSRII-XJFOESAGSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248734740 388691825 /nfs/dbraw/zinc/69/18/25/388691825.db2.gz BSCBFNJPFCSRII-XJFOESAGSA-N 2 1 240.391 1.704 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000552338636 388694343 /nfs/dbraw/zinc/69/43/43/388694343.db2.gz KPAVGTXIXRQNCZ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000552338636 388694345 /nfs/dbraw/zinc/69/43/45/388694345.db2.gz KPAVGTXIXRQNCZ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000552338637 388694665 /nfs/dbraw/zinc/69/46/65/388694665.db2.gz KPAVGTXIXRQNCZ-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000552338637 388694666 /nfs/dbraw/zinc/69/46/66/388694666.db2.gz KPAVGTXIXRQNCZ-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000248828109 388695408 /nfs/dbraw/zinc/69/54/08/388695408.db2.gz DHXJLIYKMRCHHO-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000248828109 388695410 /nfs/dbraw/zinc/69/54/10/388695410.db2.gz DHXJLIYKMRCHHO-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](OC)C2)[C@@H](C)C1 ZINC000249015492 388704283 /nfs/dbraw/zinc/70/42/83/388704283.db2.gz JFMYQWBKZCXZEW-CRWXNKLISA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCF)[C@H](C)C1 ZINC000126858882 388707162 /nfs/dbraw/zinc/70/71/62/388707162.db2.gz QNZUJADVSUATHW-MNOVXSKESA-N 2 1 202.317 1.666 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249114650 388709811 /nfs/dbraw/zinc/70/98/11/388709811.db2.gz RULXVBHCVZSNAI-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cn2)C1 ZINC000126985067 388710567 /nfs/dbraw/zinc/71/05/67/388710567.db2.gz MSVHAGSPNOGKFB-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cn2)C1 ZINC000126985067 388710570 /nfs/dbraw/zinc/71/05/70/388710570.db2.gz MSVHAGSPNOGKFB-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000249160976 388711311 /nfs/dbraw/zinc/71/13/11/388711311.db2.gz YWMZWJDEXLUWDA-YRGRVCCFSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249385212 388719028 /nfs/dbraw/zinc/71/90/28/388719028.db2.gz BIOQTTJBFYCJEW-AVGNSLFASA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)COC)C1 ZINC000249777397 388733527 /nfs/dbraw/zinc/73/35/27/388733527.db2.gz KPRBEUSLXYOFIO-STQMWFEESA-N 2 1 228.380 1.543 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249777397 388733529 /nfs/dbraw/zinc/73/35/29/388733529.db2.gz KPRBEUSLXYOFIO-STQMWFEESA-N 2 1 228.380 1.543 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249777397 388733530 /nfs/dbraw/zinc/73/35/30/388733530.db2.gz KPRBEUSLXYOFIO-STQMWFEESA-N 2 1 228.380 1.543 20 0 BDADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715988 388774648 /nfs/dbraw/zinc/77/46/48/388774648.db2.gz XIETVBQAYCZECT-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000129101200 388817007 /nfs/dbraw/zinc/81/70/07/388817007.db2.gz JUAYGJVZGAVIPP-SMDDNHRTSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000129101200 388817010 /nfs/dbraw/zinc/81/70/10/388817010.db2.gz JUAYGJVZGAVIPP-SMDDNHRTSA-N 2 1 233.359 1.820 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CCCCCC2)C1 ZINC000093215391 388828950 /nfs/dbraw/zinc/82/89/50/388828950.db2.gz XDJQVXFXPYHIKP-UONOGXRCSA-N 2 1 239.407 1.722 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC1CCCC1 ZINC000565092978 388913089 /nfs/dbraw/zinc/91/30/89/388913089.db2.gz NOVAIWVRNJRQQV-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@@H+]1CC=C(CNCc2cscn2)CC1 ZINC000271927859 389028106 /nfs/dbraw/zinc/02/81/06/389028106.db2.gz VXRBZOTVXDTZRD-UHFFFAOYSA-N 2 1 223.345 1.495 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cscn2)CC1 ZINC000271927859 389028112 /nfs/dbraw/zinc/02/81/12/389028112.db2.gz VXRBZOTVXDTZRD-UHFFFAOYSA-N 2 1 223.345 1.495 20 0 BDADMP Cc1cc[nH+]c(N2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000053704819 132363289 /nfs/dbraw/zinc/36/32/89/132363289.db2.gz MYNQOXCVBFMRKL-RYUDHWBXSA-N 2 1 219.332 1.954 20 0 BDADMP C[C@@H](NCC1(C)CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400720688 533355650 /nfs/dbraw/zinc/35/56/50/533355650.db2.gz OKAMMBNDENJFQS-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261531695 533377073 /nfs/dbraw/zinc/37/70/73/533377073.db2.gz HNCOLRYTGPZFEX-IJLUTSLNSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000224623769 533377857 /nfs/dbraw/zinc/37/78/57/533377857.db2.gz GOMXQUDRBACKBA-GRYCIOLGSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000224623769 533377860 /nfs/dbraw/zinc/37/78/60/533377860.db2.gz GOMXQUDRBACKBA-GRYCIOLGSA-N 2 1 226.389 1.423 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@H]1C ZINC000495049315 533644848 /nfs/dbraw/zinc/64/48/48/533644848.db2.gz KUAFBGLAFJWTRA-FRRDWIJNSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000368450758 132283580 /nfs/dbraw/zinc/28/35/80/132283580.db2.gz SPJYAWHDVBNCRT-OCCSQVGLSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc(N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc[nH+]1 ZINC000372336360 132285983 /nfs/dbraw/zinc/28/59/83/132285983.db2.gz GBCIYOREFSNJPQ-TZMCWYRMSA-N 2 1 231.343 1.920 20 0 BDADMP C[NH+](C)C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000339140815 132457307 /nfs/dbraw/zinc/45/73/07/132457307.db2.gz PBMZGAGDFOWWJI-UHFFFAOYSA-N 2 1 245.330 1.488 20 0 BDADMP CC[C@H](C[NH2+]CC[NH2+]C)c1ccccc1 ZINC000161242434 133512799 /nfs/dbraw/zinc/51/27/99/133512799.db2.gz UXXBVDGGAAAQAT-GFCCVEGCSA-N 2 1 206.333 1.989 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCOC1 ZINC000161714593 133515862 /nfs/dbraw/zinc/51/58/62/133515862.db2.gz MLIZWTGFISTMDI-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCOC1 ZINC000161714593 133515863 /nfs/dbraw/zinc/51/58/63/133515863.db2.gz MLIZWTGFISTMDI-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C1CCc2ccccc2CC1 ZINC000335468569 133877937 /nfs/dbraw/zinc/87/79/37/133877937.db2.gz UZZDXAQHJOSHNO-LLVKDONJSA-N 2 1 218.344 1.871 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336022272 134055801 /nfs/dbraw/zinc/05/58/01/134055801.db2.gz JYIJRXUYCVDQQZ-NEPJUHHUSA-N 2 1 249.358 1.587 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336022272 134055802 /nfs/dbraw/zinc/05/58/02/134055802.db2.gz JYIJRXUYCVDQQZ-NEPJUHHUSA-N 2 1 249.358 1.587 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@@H]1[NH3+] ZINC000336054897 134065694 /nfs/dbraw/zinc/06/56/94/134065694.db2.gz RMCHNZWIAPFSJJ-JSGCOSHPSA-N 2 1 247.386 1.922 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000336054537 134066163 /nfs/dbraw/zinc/06/61/63/134066163.db2.gz LKUCSKWSPFZCBD-UFBFGSQYSA-N 2 1 222.336 1.196 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000336054537 134066164 /nfs/dbraw/zinc/06/61/64/134066164.db2.gz LKUCSKWSPFZCBD-UFBFGSQYSA-N 2 1 222.336 1.196 20 0 BDADMP C[C@@H]1NCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000336079459 134073946 /nfs/dbraw/zinc/07/39/46/134073946.db2.gz KNKFFXWEJKGFQW-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCN(CCC2CC[NH2+]CC2)[C@H]1C ZINC000336079459 134073947 /nfs/dbraw/zinc/07/39/47/134073947.db2.gz KNKFFXWEJKGFQW-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)nc1 ZINC000336124896 134092446 /nfs/dbraw/zinc/09/24/46/134092446.db2.gz GGHCWHGBAZKPHB-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000167610201 134152817 /nfs/dbraw/zinc/15/28/17/134152817.db2.gz CLQLOTDHSXUUAG-YPMHNXCESA-N 2 1 219.332 1.498 20 0 BDADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000168152841 134156074 /nfs/dbraw/zinc/15/60/74/134156074.db2.gz HICVIMXLQSQNIN-SRVKXCTJSA-N 2 1 246.420 1.030 20 0 BDADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000168152841 134156075 /nfs/dbraw/zinc/15/60/75/134156075.db2.gz HICVIMXLQSQNIN-SRVKXCTJSA-N 2 1 246.420 1.030 20 0 BDADMP Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000168577782 134227124 /nfs/dbraw/zinc/22/71/24/134227124.db2.gz FBWFWLFFJSPHNI-KOLCDFICSA-N 2 1 220.320 1.267 20 0 BDADMP Cn1cc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cn1 ZINC000178981584 134313870 /nfs/dbraw/zinc/31/38/70/134313870.db2.gz ABXPVQVTOXTWLP-CYBMUJFWSA-N 2 1 248.374 1.209 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ncc[nH]1 ZINC000221146751 134317310 /nfs/dbraw/zinc/31/73/10/134317310.db2.gz WCMJJOBFQJTFHV-TUAOUCFPSA-N 2 1 234.347 1.687 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000224520476 134348572 /nfs/dbraw/zinc/34/85/72/134348572.db2.gz VECCXYDCQDUMBV-VXGBXAGGSA-N 2 1 226.364 1.484 20 0 BDADMP C[NH2+]CCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227379293 134379131 /nfs/dbraw/zinc/37/91/31/134379131.db2.gz RBPUKRBPGHCNQQ-STQMWFEESA-N 2 1 225.380 1.155 20 0 BDADMP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000227498043 134381335 /nfs/dbraw/zinc/38/13/35/134381335.db2.gz KVWITQRRDQIXAV-JQWIXIFHSA-N 2 1 234.347 1.988 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000227498043 134381336 /nfs/dbraw/zinc/38/13/36/134381336.db2.gz KVWITQRRDQIXAV-JQWIXIFHSA-N 2 1 234.347 1.988 20 0 BDADMP C[NH+]1CCC(C)(C[NH2+]Cc2csnn2)CC1 ZINC000227520887 134382939 /nfs/dbraw/zinc/38/29/39/134382939.db2.gz SBECDLCVXSLDST-UHFFFAOYSA-N 2 1 240.376 1.360 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227601702 134388005 /nfs/dbraw/zinc/38/80/05/134388005.db2.gz MTROGMRTUGCPBV-WOPDTQHZSA-N 2 1 213.369 1.009 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000069626878 134900503 /nfs/dbraw/zinc/90/05/03/134900503.db2.gz WXMGAQFTROTTRJ-NXEZZACHSA-N 2 1 209.293 1.234 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000069626878 134900504 /nfs/dbraw/zinc/90/05/04/134900504.db2.gz WXMGAQFTROTTRJ-NXEZZACHSA-N 2 1 209.293 1.234 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000069863016 134904805 /nfs/dbraw/zinc/90/48/05/134904805.db2.gz SPUHRECXDWQPIQ-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248986562 135029929 /nfs/dbraw/zinc/02/99/29/135029929.db2.gz XBAZIKGNRDDGIH-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248986562 135029930 /nfs/dbraw/zinc/02/99/30/135029930.db2.gz XBAZIKGNRDDGIH-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248986562 135029931 /nfs/dbraw/zinc/02/99/31/135029931.db2.gz XBAZIKGNRDDGIH-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000249042913 135030724 /nfs/dbraw/zinc/03/07/24/135030724.db2.gz HAAQTFBOXZUNJQ-CRWXNKLISA-N 2 1 240.391 1.467 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163665297 135040917 /nfs/dbraw/zinc/04/09/17/135040917.db2.gz KXTCLVAWAKZZGX-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249317416 135042653 /nfs/dbraw/zinc/04/26/53/135042653.db2.gz PWGIIFIZJMRSIG-NEPJUHHUSA-N 2 1 236.363 1.413 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249317416 135042655 /nfs/dbraw/zinc/04/26/55/135042655.db2.gz PWGIIFIZJMRSIG-NEPJUHHUSA-N 2 1 236.363 1.413 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251494970 135069549 /nfs/dbraw/zinc/06/95/49/135069549.db2.gz JRWQOLWWUOKJTH-RDBSUJKOSA-N 2 1 248.374 1.488 20 0 BDADMP CC[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000251741138 135076112 /nfs/dbraw/zinc/07/61/12/135076112.db2.gz KWAUYNQQCLGETK-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2Cl)CC[C@H]1[NH3+] ZINC000251854667 135079058 /nfs/dbraw/zinc/07/90/58/135079058.db2.gz RVMZAERYUUDHLW-PSASIEDQSA-N 2 1 225.723 1.909 20 0 BDADMP C[C@@H](c1cccs1)[N@@H+](C)CCOCC[NH3+] ZINC000086435529 135084036 /nfs/dbraw/zinc/08/40/36/135084036.db2.gz LBMHSHKYVGIMMW-JTQLQIEISA-N 2 1 228.361 1.716 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CCOCC[NH3+])C1 ZINC000086435504 135084163 /nfs/dbraw/zinc/08/41/63/135084163.db2.gz PBPHZUXDUMNFRF-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])C1CCCCC1 ZINC000086435352 135084218 /nfs/dbraw/zinc/08/42/18/135084218.db2.gz VYNLUUJOGAUEIQ-UHFFFAOYSA-N 2 1 214.353 1.616 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252214103 135087542 /nfs/dbraw/zinc/08/75/42/135087542.db2.gz YUMQSZFHNVZGQL-UPJWGTAASA-N 2 1 227.396 1.399 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252625806 135093183 /nfs/dbraw/zinc/09/31/83/135093183.db2.gz RJLDQXLXWMZGSL-FDYHWXHSSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000252686669 135096544 /nfs/dbraw/zinc/09/65/44/135096544.db2.gz KCHNGLLKAJYCLZ-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703345 135098193 /nfs/dbraw/zinc/09/81/93/135098193.db2.gz XPNRCKVGFIECDV-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000252710649 135099457 /nfs/dbraw/zinc/09/94/57/135099457.db2.gz HHFZKLQRERWFRE-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C(C)C)[C@H](C)C1 ZINC000252710331 135099468 /nfs/dbraw/zinc/09/94/68/135099468.db2.gz GIOJVDYANHRWAO-FRRDWIJNSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000252710650 135099661 /nfs/dbraw/zinc/09/96/61/135099661.db2.gz HHFZKLQRERWFRE-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000252711981 135100238 /nfs/dbraw/zinc/10/02/38/135100238.db2.gz LDRCCSUBWPXCCT-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252713313 135100993 /nfs/dbraw/zinc/10/09/93/135100993.db2.gz OUZHBLCFIWAQMT-UMSGYPCISA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCSC1 ZINC000252714760 135101645 /nfs/dbraw/zinc/10/16/45/135101645.db2.gz SWFUTRXKMQBRIV-OUAUKWLOSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCSC1 ZINC000252714760 135101647 /nfs/dbraw/zinc/10/16/47/135101647.db2.gz SWFUTRXKMQBRIV-OUAUKWLOSA-N 2 1 214.378 1.422 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000086935439 135103934 /nfs/dbraw/zinc/10/39/34/135103934.db2.gz DJBPUGUMYCBLAH-PWSUYJOCSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000252745816 135106672 /nfs/dbraw/zinc/10/66/72/135106672.db2.gz PPHOWPQNJJQMOL-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H](O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000252745816 135106673 /nfs/dbraw/zinc/10/66/73/135106673.db2.gz PPHOWPQNJJQMOL-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H](O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000252745816 135106674 /nfs/dbraw/zinc/10/66/74/135106674.db2.gz PPHOWPQNJJQMOL-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252767116 135108329 /nfs/dbraw/zinc/10/83/29/135108329.db2.gz JJZAOMFPFCVFCV-VHSXEESVSA-N 2 1 202.367 1.409 20 0 BDADMP C[C@@H](CCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000087358262 135124482 /nfs/dbraw/zinc/12/44/82/135124482.db2.gz GJXHDQHLQHOLDI-WODVXLOZSA-N 2 1 226.364 1.362 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257652051 135138402 /nfs/dbraw/zinc/13/84/02/135138402.db2.gz DNLAMNZJEOLYDF-AWEZNQCLSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000257702211 135140219 /nfs/dbraw/zinc/14/02/19/135140219.db2.gz QKBBPCMIXGAYAB-UHFFFAOYSA-N 2 1 235.331 1.559 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257713851 135140880 /nfs/dbraw/zinc/14/08/80/135140880.db2.gz UGRRRVTWYZXGQE-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000261529568 135155716 /nfs/dbraw/zinc/15/57/16/135155716.db2.gz BBGPTALPLNSOEG-YUSALJHKSA-N 2 1 222.357 1.917 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]12 ZINC000261529647 135156976 /nfs/dbraw/zinc/15/69/76/135156976.db2.gz BGDUTHWUCFHKPQ-FBIMIBRVSA-N 2 1 223.345 1.312 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]12 ZINC000261529647 135156977 /nfs/dbraw/zinc/15/69/77/135156977.db2.gz BGDUTHWUCFHKPQ-FBIMIBRVSA-N 2 1 223.345 1.312 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CO ZINC000269682326 135166598 /nfs/dbraw/zinc/16/65/98/135166598.db2.gz FDPCCMKRXXNPOD-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CO ZINC000269682326 135166600 /nfs/dbraw/zinc/16/66/00/135166600.db2.gz FDPCCMKRXXNPOD-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C2)CCCS1 ZINC000087793277 135172599 /nfs/dbraw/zinc/17/25/99/135172599.db2.gz DIOOYYNTYHEOIM-UWVGGRQHSA-N 2 1 200.351 1.224 20 0 BDADMP C[C@H](C1CC1)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000261539792 135178337 /nfs/dbraw/zinc/17/83/37/135178337.db2.gz DDSPKUOUKYWYOU-SNVBAGLBSA-N 2 1 212.337 1.225 20 0 BDADMP CCCn1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000261541288 135180807 /nfs/dbraw/zinc/18/08/07/135180807.db2.gz JMRNMAOCXWYVQS-VXGBXAGGSA-N 2 1 236.363 1.462 20 0 BDADMP C[C@H](NCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261543719 135184542 /nfs/dbraw/zinc/18/45/42/135184542.db2.gz HZMMPLXADWNISX-ZFWWWQNUSA-N 2 1 247.386 1.445 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc1 ZINC000261544300 135185673 /nfs/dbraw/zinc/18/56/73/135185673.db2.gz DQJQKBUVSNTOIJ-YUTCNCBUSA-N 2 1 231.343 1.559 20 0 BDADMP C([C@@H]1CCOC1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261544715 135185956 /nfs/dbraw/zinc/18/59/56/135185956.db2.gz ZFNONOWLHVGJMS-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCOCC1 ZINC000261553252 135192843 /nfs/dbraw/zinc/19/28/43/135192843.db2.gz NRAOLTIZDGRUQR-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000084216422 135192894 /nfs/dbraw/zinc/19/28/94/135192894.db2.gz QPSGCSLYFZEQBZ-GXSJLCMTSA-N 2 1 208.309 1.017 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3cccnc3)C[C@H]12 ZINC000261553893 135193508 /nfs/dbraw/zinc/19/35/08/135193508.db2.gz OKVXLMATTDHKSP-MELADBBJSA-N 2 1 231.343 1.293 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261554642 135194609 /nfs/dbraw/zinc/19/46/09/135194609.db2.gz BAAHUFOLXLNSFE-TUAOUCFPSA-N 2 1 247.342 1.265 20 0 BDADMP C[C@H]1OCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000261555164 135195160 /nfs/dbraw/zinc/19/51/60/135195160.db2.gz UUNYVOUYWKTEFQ-GHMZBOCLSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1CCSCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261555761 135195198 /nfs/dbraw/zinc/19/51/98/135195198.db2.gz VGMMKGVHAFETMV-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]12 ZINC000261558081 135198947 /nfs/dbraw/zinc/19/89/47/135198947.db2.gz SGCLQFMCTRFHNB-ZKYQVNSYSA-N 2 1 234.318 1.995 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000261559023 135199620 /nfs/dbraw/zinc/19/96/20/135199620.db2.gz YUENVNYQGOSCKI-UPJWGTAASA-N 2 1 208.349 1.860 20 0 BDADMP Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc(C)[nH+]1 ZINC000261558832 135199729 /nfs/dbraw/zinc/19/97/29/135199729.db2.gz SSIIQLGGFMNSJH-VXGBXAGGSA-N 2 1 232.331 1.282 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261561530 135202574 /nfs/dbraw/zinc/20/25/74/135202574.db2.gz ARQUXYVKWVMLAX-VXGBXAGGSA-N 2 1 217.316 1.436 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]12 ZINC000261562385 135203687 /nfs/dbraw/zinc/20/36/87/135203687.db2.gz BGPCIAHBKMXUNO-FDYHWXHSSA-N 2 1 224.348 1.225 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163860800 135207315 /nfs/dbraw/zinc/20/73/15/135207315.db2.gz GHMKYNHWJGXXBT-WCQYABFASA-N 2 1 233.359 1.807 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(O)c3)C[C@@H]12 ZINC000261567432 135209377 /nfs/dbraw/zinc/20/93/77/135209377.db2.gz ZTJURKDUHLUGKG-MRVWCRGKSA-N 2 1 232.327 1.561 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261567572 135209409 /nfs/dbraw/zinc/20/94/09/135209409.db2.gz DZXYJPUNXNAQAJ-GFCCVEGCSA-N 2 1 223.320 1.462 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261567572 135209410 /nfs/dbraw/zinc/20/94/10/135209410.db2.gz DZXYJPUNXNAQAJ-GFCCVEGCSA-N 2 1 223.320 1.462 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(O)c3)C[C@@H]12 ZINC000261567427 135209617 /nfs/dbraw/zinc/20/96/17/135209617.db2.gz ZTJURKDUHLUGKG-IACUBPJLSA-N 2 1 232.327 1.561 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000261570679 135212149 /nfs/dbraw/zinc/21/21/49/135212149.db2.gz HBHLUTOPLQUOLQ-RYUDHWBXSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000261570679 135212151 /nfs/dbraw/zinc/21/21/51/135212151.db2.gz HBHLUTOPLQUOLQ-RYUDHWBXSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCSC1 ZINC000261573089 135214657 /nfs/dbraw/zinc/21/46/57/135214657.db2.gz IMRRBEIAVBPZLD-IJLUTSLNSA-N 2 1 244.404 1.096 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261575508 135216653 /nfs/dbraw/zinc/21/66/53/135216653.db2.gz NDHBRKUISACHDZ-MJBXVCDLSA-N 2 1 248.374 1.633 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261575505 135216841 /nfs/dbraw/zinc/21/68/41/135216841.db2.gz NDHBRKUISACHDZ-BFHYXJOUSA-N 2 1 248.374 1.633 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261576779 135218703 /nfs/dbraw/zinc/21/87/03/135218703.db2.gz NZTQZTWGAOCNLZ-NEPJUHHUSA-N 2 1 247.342 1.137 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261576779 135218704 /nfs/dbraw/zinc/21/87/04/135218704.db2.gz NZTQZTWGAOCNLZ-NEPJUHHUSA-N 2 1 247.342 1.137 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000261580068 135220701 /nfs/dbraw/zinc/22/07/01/135220701.db2.gz MQHNJQGFDBSRBT-QWRGUYRKSA-N 2 1 214.353 1.349 20 0 BDADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC[NH3+] ZINC000261582061 135222181 /nfs/dbraw/zinc/22/21/81/135222181.db2.gz OBJHDRCSEFLTOG-GXTWGEPZSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC[NH3+] ZINC000261582061 135222183 /nfs/dbraw/zinc/22/21/83/135222183.db2.gz OBJHDRCSEFLTOG-GXTWGEPZSA-N 2 1 218.344 1.898 20 0 BDADMP COCc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000261585098 135226091 /nfs/dbraw/zinc/22/60/91/135226091.db2.gz QDQCCKYEPQDKAM-WDEREUQCSA-N 2 1 222.332 1.658 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261591580 135232159 /nfs/dbraw/zinc/23/21/59/135232159.db2.gz XSHMJWSYGFSMPP-UGFHNGPFSA-N 2 1 245.370 1.815 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000261598490 135236657 /nfs/dbraw/zinc/23/66/57/135236657.db2.gz ZOYQROJPYPPABJ-MFKMUULPSA-N 2 1 222.307 1.913 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000261599740 135237930 /nfs/dbraw/zinc/23/79/30/135237930.db2.gz ZZSPWHLPWWFHHG-SNVBAGLBSA-N 2 1 209.293 1.235 20 0 BDADMP Cc1ncccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000164400939 135240047 /nfs/dbraw/zinc/24/00/47/135240047.db2.gz CEJLUUYSSHFTIJ-UHFFFAOYSA-N 2 1 219.332 1.574 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000261547191 135240036 /nfs/dbraw/zinc/24/00/36/135240036.db2.gz LZYIVMFMSZCCCV-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1OCC[N@H+](C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000261547394 135240379 /nfs/dbraw/zinc/24/03/79/135240379.db2.gz MHUNNKFTNARLAI-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1OCC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000261547394 135240381 /nfs/dbraw/zinc/24/03/81/135240381.db2.gz MHUNNKFTNARLAI-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261547810 135240981 /nfs/dbraw/zinc/24/09/81/135240981.db2.gz IOYNKAGDZPKHKC-CHWSQXEVSA-N 3 1 236.363 1.299 20 0 BDADMP CC(C)[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000261716672 135247395 /nfs/dbraw/zinc/24/73/95/135247395.db2.gz FFDPNGIOEKEVCC-UONOGXRCSA-N 2 1 239.407 1.258 20 0 BDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261751314 135249755 /nfs/dbraw/zinc/24/97/55/135249755.db2.gz JWAALBZVBRQNBA-KBPBESRZSA-N 3 1 239.407 1.260 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084420594 135252487 /nfs/dbraw/zinc/25/24/87/135252487.db2.gz JHKDCWHDJLVDOL-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000084420594 135252489 /nfs/dbraw/zinc/25/24/89/135252489.db2.gz JHKDCWHDJLVDOL-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261827445 135256146 /nfs/dbraw/zinc/25/61/46/135256146.db2.gz IVWQYMLMGCGOSX-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CC1 ZINC000261853674 135257574 /nfs/dbraw/zinc/25/75/74/135257574.db2.gz BKHSJIVVHCXASB-FRRDWIJNSA-N 2 1 224.348 1.143 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC[NH2+]C1 ZINC000261867836 135258202 /nfs/dbraw/zinc/25/82/02/135258202.db2.gz ODHSSCITLFOKPP-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882894 135260292 /nfs/dbraw/zinc/26/02/92/135260292.db2.gz RINBNJCQOCZPQN-STQMWFEESA-N 2 1 224.348 1.098 20 0 BDADMP CC(C)(C)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000261908581 135261726 /nfs/dbraw/zinc/26/17/26/135261726.db2.gz ZMNFAMIBMMJNPZ-ZDUSSCGKSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CC[N@@H+](C)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000261900369 135261924 /nfs/dbraw/zinc/26/19/24/135261924.db2.gz VWJACXDCKHZOKI-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP c1cn(C[C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261932045 135264165 /nfs/dbraw/zinc/26/41/65/135264165.db2.gz LREIKDXLGGILBN-ZIAGYGMSSA-N 3 1 248.374 1.347 20 0 BDADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261949768 135265149 /nfs/dbraw/zinc/26/51/49/135265149.db2.gz NUMDVJVFZGWIJA-CYBMUJFWSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H]3COCC[C@H]32)CC[NH2+]C1 ZINC000261954961 135265763 /nfs/dbraw/zinc/26/57/63/135265763.db2.gz GPDKQKCMUDHBMB-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2ccon2)CC1 ZINC000261965093 135266971 /nfs/dbraw/zinc/26/69/71/135266971.db2.gz ASBSUNMQQCHWEO-UHFFFAOYSA-N 2 1 223.320 1.496 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000262047107 135275976 /nfs/dbraw/zinc/27/59/76/135275976.db2.gz PVAILOIXGHDZPI-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000262047107 135275978 /nfs/dbraw/zinc/27/59/78/135275978.db2.gz PVAILOIXGHDZPI-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262068724 135276497 /nfs/dbraw/zinc/27/64/97/135276497.db2.gz BTPDSHHSUYENLY-JTQLQIEISA-N 2 1 236.306 1.329 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262106154 135279069 /nfs/dbraw/zinc/27/90/69/135279069.db2.gz VYTCJJWKTKUKGA-BFHYXJOUSA-N 2 1 240.391 1.469 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000262119736 135279978 /nfs/dbraw/zinc/27/99/78/135279978.db2.gz BXWPBOKGWHNUIR-ZDUSSCGKSA-N 2 1 248.374 1.589 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000342694931 135306532 /nfs/dbraw/zinc/30/65/32/135306532.db2.gz GDFWIWIEAHRHDY-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000334273616 135331784 /nfs/dbraw/zinc/33/17/84/135331784.db2.gz ZLYIJKYPZWQELE-TZMCWYRMSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000334273613 135331933 /nfs/dbraw/zinc/33/19/33/135331933.db2.gz ZLYIJKYPZWQELE-OCCSQVGLSA-N 2 1 248.374 1.553 20 0 BDADMP CCc1nc(N[C@H]2CCC[C@H]2[NH+](C)C)cc(C)[nH+]1 ZINC000342992633 135342835 /nfs/dbraw/zinc/34/28/35/135342835.db2.gz JIPOZCIATSOHNK-NWDGAFQWSA-N 2 1 248.374 1.664 20 0 BDADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)on1 ZINC000334313668 135351540 /nfs/dbraw/zinc/35/15/40/135351540.db2.gz YFEJDVBPNURQRW-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1CN(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000334330189 135354947 /nfs/dbraw/zinc/35/49/47/135354947.db2.gz OPBIWIWSOZJKTJ-MFKMUULPSA-N 2 1 237.347 1.755 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000299962793 135383207 /nfs/dbraw/zinc/38/32/07/135383207.db2.gz GXEOXROYBYBUKJ-KKOKHZNYSA-N 2 1 228.405 1.810 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NCCC[NH+]2CCCC2)C1 ZINC000347722935 136003511 /nfs/dbraw/zinc/00/35/11/136003511.db2.gz PFKMYEXIDJLBPK-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2cn[nH]c2)C1 ZINC000347732262 136004387 /nfs/dbraw/zinc/00/43/87/136004387.db2.gz BTERZNBFKOYIJQ-CYBMUJFWSA-N 2 1 236.363 1.226 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000347732262 136004388 /nfs/dbraw/zinc/00/43/88/136004388.db2.gz BTERZNBFKOYIJQ-CYBMUJFWSA-N 2 1 236.363 1.226 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000347732262 136004389 /nfs/dbraw/zinc/00/43/89/136004389.db2.gz BTERZNBFKOYIJQ-CYBMUJFWSA-N 2 1 236.363 1.226 20 0 BDADMP Cn1c[nH+]cc1CCN1CC[NH+](C2CCC2)CC1 ZINC000347749516 136010617 /nfs/dbraw/zinc/01/06/17/136010617.db2.gz GFTBVJFUEUCJBD-UHFFFAOYSA-N 2 1 248.374 1.133 20 0 BDADMP FC(F)[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348215891 136045943 /nfs/dbraw/zinc/04/59/43/136045943.db2.gz BUTLZFDGGLYDDM-MMWGEVLESA-N 2 1 230.302 1.856 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000335344410 136065494 /nfs/dbraw/zinc/06/54/94/136065494.db2.gz HWXMWCFUSPZYLT-CHWSQXEVSA-N 2 1 249.358 1.636 20 0 BDADMP CC1(C[NH2+][C@H]2CCCCC[C@H]2N)CC[NH2+]CC1 ZINC000335567217 136107836 /nfs/dbraw/zinc/10/78/36/136107836.db2.gz DUIIJKAFIHLXCX-OLZOCXBDSA-N 2 1 239.407 1.626 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571678 136109648 /nfs/dbraw/zinc/10/96/48/136109648.db2.gz ZNIKERQHRUTZGJ-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571678 136109649 /nfs/dbraw/zinc/10/96/49/136109649.db2.gz ZNIKERQHRUTZGJ-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)C ZINC000309100235 397850028 /nfs/dbraw/zinc/85/00/28/397850028.db2.gz GKLRPXWGZRMRKM-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000309100235 397850032 /nfs/dbraw/zinc/85/00/32/397850032.db2.gz GKLRPXWGZRMRKM-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP CC1CCC(C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000390270847 397884389 /nfs/dbraw/zinc/88/43/89/397884389.db2.gz RPRKRISMXVBOCK-UHFFFAOYSA-N 2 1 228.380 1.720 20 0 BDADMP Cc1nc([C@@H](C)[NH2+]CCC[NH3+])c(C)s1 ZINC000037713531 397961706 /nfs/dbraw/zinc/96/17/06/397961706.db2.gz ZNPISHHXUXUHMV-SSDOTTSWSA-N 2 1 213.350 1.759 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000649571761 397963100 /nfs/dbraw/zinc/96/31/00/397963100.db2.gz WBGBXZNRAKJZEC-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000222603480 397996309 /nfs/dbraw/zinc/99/63/09/397996309.db2.gz WTCZQHHFIMKYOF-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000222603480 397996310 /nfs/dbraw/zinc/99/63/10/397996310.db2.gz WTCZQHHFIMKYOF-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414659249 398008572 /nfs/dbraw/zinc/00/85/72/398008572.db2.gz KVMNBWHWMWJSFI-MROQNXINSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[NH2+][C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414659249 398008575 /nfs/dbraw/zinc/00/85/75/398008575.db2.gz KVMNBWHWMWJSFI-MROQNXINSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000336730352 398019798 /nfs/dbraw/zinc/01/97/98/398019798.db2.gz DPJJVWMVKODLCA-NEPJUHHUSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000414763667 398028022 /nfs/dbraw/zinc/02/80/22/398028022.db2.gz NFLYSROMDVKDLP-DGAVXFQQSA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414826542 398048688 /nfs/dbraw/zinc/04/86/88/398048688.db2.gz FQEHQFGKWGMMEL-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP CCN1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414826542 398048693 /nfs/dbraw/zinc/04/86/93/398048693.db2.gz FQEHQFGKWGMMEL-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP C[N@H+]1CC=C(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000271760568 397973380 /nfs/dbraw/zinc/97/33/80/397973380.db2.gz DNVYOKJKMIKSMB-UHFFFAOYSA-N 2 1 243.314 1.632 20 0 BDADMP C[N@@H+]1CC=C(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000271760568 397973385 /nfs/dbraw/zinc/97/33/85/397973385.db2.gz DNVYOKJKMIKSMB-UHFFFAOYSA-N 2 1 243.314 1.632 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)CC1([NH+](C)C)CCC1 ZINC000649591017 397977331 /nfs/dbraw/zinc/97/73/31/397977331.db2.gz KTTYLDGKFREVPJ-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP Cc1ncccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345174871 398087037 /nfs/dbraw/zinc/08/70/37/398087037.db2.gz ONOCJTAYRBSGDC-UHFFFAOYSA-N 2 1 231.343 1.742 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)[C@@H](C)O1 ZINC000384734469 398103505 /nfs/dbraw/zinc/10/35/05/398103505.db2.gz KIHZOSOKBAROCG-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228699592 398097394 /nfs/dbraw/zinc/09/73/94/398097394.db2.gz JAGNKFIOFZFROO-LPWJVIDDSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228699592 398097400 /nfs/dbraw/zinc/09/74/00/398097400.db2.gz JAGNKFIOFZFROO-LPWJVIDDSA-N 2 1 208.349 1.859 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCCCC1 ZINC000662275653 487529487 /nfs/dbraw/zinc/52/94/87/487529487.db2.gz DEZCDCNTHVCLCP-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C1CCCCC1 ZINC000662275653 487529491 /nfs/dbraw/zinc/52/94/91/487529491.db2.gz DEZCDCNTHVCLCP-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000680338564 487567889 /nfs/dbraw/zinc/56/78/89/487567889.db2.gz FFJYTEUNAGOQCI-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000393282056 487571314 /nfs/dbraw/zinc/57/13/14/487571314.db2.gz YXEIPLAHFDURTH-RWMBFGLXSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@H](C)[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000308881281 487572472 /nfs/dbraw/zinc/57/24/72/487572472.db2.gz VPNOZTALGATVJG-RYUDHWBXSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000308881281 487572477 /nfs/dbraw/zinc/57/24/77/487572477.db2.gz VPNOZTALGATVJG-RYUDHWBXSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000308881281 487572482 /nfs/dbraw/zinc/57/24/82/487572482.db2.gz VPNOZTALGATVJG-RYUDHWBXSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000308881281 487572485 /nfs/dbraw/zinc/57/24/85/487572485.db2.gz VPNOZTALGATVJG-RYUDHWBXSA-N 2 1 216.369 1.419 20 0 BDADMP Cn1ncc(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000334848216 487573680 /nfs/dbraw/zinc/57/36/80/487573680.db2.gz PDRAXNSHIYATOO-BDAKNGLRSA-N 2 1 242.754 1.433 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000383102678 487586799 /nfs/dbraw/zinc/58/67/99/487586799.db2.gz CEVMCRSKTOBQQH-WDEREUQCSA-N 2 1 237.347 1.905 20 0 BDADMP Cn1c[nH+]cc1CCCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662275330 409585713 /nfs/dbraw/zinc/58/57/13/409585713.db2.gz AMBIQGJOTJXRLC-GXTWGEPZSA-N 2 1 248.374 1.037 20 0 BDADMP Cn1c[nH+]cc1CCCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275333 409585751 /nfs/dbraw/zinc/58/57/51/409585751.db2.gz AMBIQGJOTJXRLC-TZMCWYRMSA-N 2 1 248.374 1.037 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087932 410065677 /nfs/dbraw/zinc/06/56/77/410065677.db2.gz FRSLKCFUAIEYGQ-DFBGVHRSSA-N 2 1 245.370 1.720 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000653176622 410151894 /nfs/dbraw/zinc/15/18/94/410151894.db2.gz ZTXWYNKWNMTOGZ-GFCCVEGCSA-N 2 1 243.395 1.208 20 0 BDADMP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000651982858 410126691 /nfs/dbraw/zinc/12/66/91/410126691.db2.gz JCZICZZFWLZZBK-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000663504150 410278672 /nfs/dbraw/zinc/27/86/72/410278672.db2.gz WVIGLINYJYFUHP-MJBXVCDLSA-N 2 1 241.423 1.680 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000663504150 410278678 /nfs/dbraw/zinc/27/86/78/410278678.db2.gz WVIGLINYJYFUHP-MJBXVCDLSA-N 3 1 241.423 1.680 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000663504150 410278683 /nfs/dbraw/zinc/27/86/83/410278683.db2.gz WVIGLINYJYFUHP-MJBXVCDLSA-N 3 1 241.423 1.680 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707258 410338036 /nfs/dbraw/zinc/33/80/36/410338036.db2.gz BVMLLJFRBGZEMV-IHRRRGAJSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709706 410340580 /nfs/dbraw/zinc/34/05/80/410340580.db2.gz MZSIZQOOEKFABI-AAEUAGOBSA-N 2 1 234.347 1.279 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709706 410340586 /nfs/dbraw/zinc/34/05/86/410340586.db2.gz MZSIZQOOEKFABI-AAEUAGOBSA-N 2 1 234.347 1.279 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650712181 410342540 /nfs/dbraw/zinc/34/25/40/410342540.db2.gz UXDCQYXTYVBLDC-ZWNOBZJWSA-N 2 1 236.363 1.667 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650712181 410342547 /nfs/dbraw/zinc/34/25/47/410342547.db2.gz UXDCQYXTYVBLDC-ZWNOBZJWSA-N 2 1 236.363 1.667 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650712181 410342551 /nfs/dbraw/zinc/34/25/51/410342551.db2.gz UXDCQYXTYVBLDC-ZWNOBZJWSA-N 2 1 236.363 1.667 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650712181 410342555 /nfs/dbraw/zinc/34/25/55/410342555.db2.gz UXDCQYXTYVBLDC-ZWNOBZJWSA-N 2 1 236.363 1.667 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1n[nH]cc1C ZINC000650720193 410357526 /nfs/dbraw/zinc/35/75/26/410357526.db2.gz HQSJYVWKNPBXBO-UHFFFAOYSA-N 2 1 244.342 1.727 20 0 BDADMP C[NH2+]Cc1ccccc1CN[C@H]1CCC[NH2+]CC1 ZINC000650719910 410358596 /nfs/dbraw/zinc/35/85/96/410358596.db2.gz AHRAFUURBGNPFA-HNNXBMFYSA-N 2 1 247.386 1.638 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000650724295 410360756 /nfs/dbraw/zinc/36/07/56/410360756.db2.gz BYMHEDYMQTUOEV-SECBINFHSA-N 2 1 204.264 1.455 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000650724295 410360764 /nfs/dbraw/zinc/36/07/64/410360764.db2.gz BYMHEDYMQTUOEV-SECBINFHSA-N 2 1 204.264 1.455 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+]C[C@H]([NH3+])CC(C)C ZINC000650720590 410361217 /nfs/dbraw/zinc/36/12/17/410361217.db2.gz VAJSUZZFQUOMRB-OAHLLOKOSA-N 3 1 249.402 1.869 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000650739828 410371424 /nfs/dbraw/zinc/37/14/24/410371424.db2.gz AAHTXQZDZMUMGM-UONOGXRCSA-N 2 1 241.423 1.681 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000650739828 410371432 /nfs/dbraw/zinc/37/14/32/410371432.db2.gz AAHTXQZDZMUMGM-UONOGXRCSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000650739828 410371438 /nfs/dbraw/zinc/37/14/38/410371438.db2.gz AAHTXQZDZMUMGM-UONOGXRCSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000650740726 410374872 /nfs/dbraw/zinc/37/48/72/410374872.db2.gz PIVPCNOKKQGYGI-CHWSQXEVSA-N 2 1 229.412 1.680 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000650740726 410374879 /nfs/dbraw/zinc/37/48/79/410374879.db2.gz PIVPCNOKKQGYGI-CHWSQXEVSA-N 3 1 229.412 1.680 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000650740726 410374885 /nfs/dbraw/zinc/37/48/85/410374885.db2.gz PIVPCNOKKQGYGI-CHWSQXEVSA-N 3 1 229.412 1.680 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000650740772 410375130 /nfs/dbraw/zinc/37/51/30/410375130.db2.gz QRJQBXMFJHUZMY-CHWSQXEVSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000650747918 410388553 /nfs/dbraw/zinc/38/85/53/410388553.db2.gz KIKZPYNQMRIBLS-MRVWCRGKSA-N 2 1 245.370 1.753 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309291096 410745222 /nfs/dbraw/zinc/74/52/22/410745222.db2.gz VTIQGBDPMSYOGY-QWHCGFSZSA-N 2 1 230.396 1.664 20 0 BDADMP CC(C)[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309291096 410745228 /nfs/dbraw/zinc/74/52/28/410745228.db2.gz VTIQGBDPMSYOGY-QWHCGFSZSA-N 2 1 230.396 1.664 20 0 BDADMP CC(C)[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309291096 410745232 /nfs/dbraw/zinc/74/52/32/410745232.db2.gz VTIQGBDPMSYOGY-QWHCGFSZSA-N 2 1 230.396 1.664 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000393862716 410764512 /nfs/dbraw/zinc/76/45/12/410764512.db2.gz KOBDQQQFVFBZOC-HZSPNIEDSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000393862716 410764516 /nfs/dbraw/zinc/76/45/16/410764516.db2.gz KOBDQQQFVFBZOC-HZSPNIEDSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000393862716 410764521 /nfs/dbraw/zinc/76/45/21/410764521.db2.gz KOBDQQQFVFBZOC-HZSPNIEDSA-N 2 1 242.407 1.665 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1nccn1C ZINC000665283961 410766646 /nfs/dbraw/zinc/76/66/46/410766646.db2.gz XWLQIIXGPSOTKG-WOPDTQHZSA-N 2 1 236.363 1.459 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH2+]C)C12CCCC2 ZINC000665296007 410802388 /nfs/dbraw/zinc/80/23/88/410802388.db2.gz LNBUEMIQRBCSRF-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000308980719 410831410 /nfs/dbraw/zinc/83/14/10/410831410.db2.gz DUIQPRKADBWTPC-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C)C1 ZINC000308980719 410831414 /nfs/dbraw/zinc/83/14/14/410831414.db2.gz DUIQPRKADBWTPC-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000308980719 410831418 /nfs/dbraw/zinc/83/14/18/410831418.db2.gz DUIQPRKADBWTPC-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000308980719 410831423 /nfs/dbraw/zinc/83/14/23/410831423.db2.gz DUIQPRKADBWTPC-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC(C)[NH2+]CC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000366345629 167105054 /nfs/dbraw/zinc/10/50/54/167105054.db2.gz YSWUVZSMIDNTGU-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+]CC[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000366345629 167105055 /nfs/dbraw/zinc/10/50/55/167105055.db2.gz YSWUVZSMIDNTGU-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000128560528 167116768 /nfs/dbraw/zinc/11/67/68/167116768.db2.gz VPJWPZBPGMWOAN-OAHLLOKOSA-N 2 1 248.370 1.621 20 0 BDADMP CC(C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000128560528 167116770 /nfs/dbraw/zinc/11/67/70/167116770.db2.gz VPJWPZBPGMWOAN-OAHLLOKOSA-N 2 1 248.370 1.621 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000336752051 167215731 /nfs/dbraw/zinc/21/57/31/167215731.db2.gz VKHUYGWISAEVCZ-GFCCVEGCSA-N 2 1 214.353 1.472 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251556658 167235148 /nfs/dbraw/zinc/23/51/48/167235148.db2.gz BMIQDNYLZYSYMO-GHMZBOCLSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)OCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122347610 167237746 /nfs/dbraw/zinc/23/77/46/167237746.db2.gz LHPYLYUZHBXRHI-QWRGUYRKSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336646565 167240750 /nfs/dbraw/zinc/24/07/50/167240750.db2.gz DWKXAABPFRJBSE-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccnc1 ZINC000019958515 411073717 /nfs/dbraw/zinc/07/37/17/411073717.db2.gz OMGJXSWFISFWJT-NSHDSACASA-N 2 1 207.321 1.684 20 0 BDADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000300136689 411078550 /nfs/dbraw/zinc/07/85/50/411078550.db2.gz RLGWJVDBYMKCFX-MCIONIFRSA-N 2 1 237.391 1.345 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000300887256 411127946 /nfs/dbraw/zinc/12/79/46/411127946.db2.gz JMDMHBPPDMDZIC-YNEHKIRRSA-N 2 1 228.380 1.717 20 0 BDADMP CC(C)C[C@H](C)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000300887256 411127948 /nfs/dbraw/zinc/12/79/48/411127948.db2.gz JMDMHBPPDMDZIC-YNEHKIRRSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000651762603 411142286 /nfs/dbraw/zinc/14/22/86/411142286.db2.gz DTNSQBGCJFZYCI-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000651762603 411142287 /nfs/dbraw/zinc/14/22/87/411142287.db2.gz DTNSQBGCJFZYCI-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000651865783 411147858 /nfs/dbraw/zinc/14/78/58/411147858.db2.gz HMZWRVZMIUVIKS-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)C[N@@H+](C)CCCNCc1cncn1C ZINC000651866046 411147969 /nfs/dbraw/zinc/14/79/69/411147969.db2.gz RVMKPXAIKAFUPQ-UHFFFAOYSA-N 2 1 238.379 1.488 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989538 411159097 /nfs/dbraw/zinc/15/90/97/411159097.db2.gz NJWHIORCZXJDNB-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989538 411159101 /nfs/dbraw/zinc/15/91/01/411159101.db2.gz NJWHIORCZXJDNB-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989538 411159104 /nfs/dbraw/zinc/15/91/04/411159104.db2.gz NJWHIORCZXJDNB-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000659879976 411177654 /nfs/dbraw/zinc/17/76/54/411177654.db2.gz YYGSTXKBUTXNJP-KGLIPLIRSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000659879976 411177656 /nfs/dbraw/zinc/17/76/56/411177656.db2.gz YYGSTXKBUTXNJP-KGLIPLIRSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000659879976 411177658 /nfs/dbraw/zinc/17/76/58/411177658.db2.gz YYGSTXKBUTXNJP-KGLIPLIRSA-N 2 1 240.391 1.562 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656198199 411202629 /nfs/dbraw/zinc/20/26/29/411202629.db2.gz MOSHYDYODLHDLB-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656198199 411202632 /nfs/dbraw/zinc/20/26/32/411202632.db2.gz MOSHYDYODLHDLB-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656198199 411202634 /nfs/dbraw/zinc/20/26/34/411202634.db2.gz MOSHYDYODLHDLB-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198017 411202991 /nfs/dbraw/zinc/20/29/91/411202991.db2.gz BODRQZLCFQOUBC-QWHCGFSZSA-N 2 1 249.358 1.840 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000652338155 411204734 /nfs/dbraw/zinc/20/47/34/411204734.db2.gz GULMOMJZGQMOJZ-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000656201462 411205966 /nfs/dbraw/zinc/20/59/66/411205966.db2.gz PKYZAKGYGITKMX-YUTCNCBUSA-N 2 1 237.391 1.201 20 0 BDADMP CC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345541 411209133 /nfs/dbraw/zinc/20/91/33/411209133.db2.gz DVFOUTUUEUAMCP-QJPTWQEYSA-N 2 1 212.337 1.225 20 0 BDADMP CCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345368 411209328 /nfs/dbraw/zinc/20/93/28/411209328.db2.gz ANFGABXSIWROHG-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCF)C2)C1 ZINC000652349202 411211286 /nfs/dbraw/zinc/21/12/86/411211286.db2.gz FMEPZIPHOAGZQQ-JHJVBQTASA-N 2 1 244.354 1.564 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351926 411211810 /nfs/dbraw/zinc/21/18/10/411211810.db2.gz JAJPFXLEXIQISU-KBPBESRZSA-N 2 1 240.391 1.864 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652356139 411214983 /nfs/dbraw/zinc/21/49/83/411214983.db2.gz TZPZQYKFJQJFMF-NWDGAFQWSA-N 3 1 213.369 1.045 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652356139 411214986 /nfs/dbraw/zinc/21/49/86/411214986.db2.gz TZPZQYKFJQJFMF-NWDGAFQWSA-N 3 1 213.369 1.045 20 0 BDADMP Cc1noc([C@@H](C)[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000652359517 411216443 /nfs/dbraw/zinc/21/64/43/411216443.db2.gz OGJCWWCOBPTVTK-SECBINFHSA-N 2 1 238.335 1.500 20 0 BDADMP CCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655680281 411222519 /nfs/dbraw/zinc/22/25/19/411222519.db2.gz JAEMZWOTNBOAAZ-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000422976203 411234877 /nfs/dbraw/zinc/23/48/77/411234877.db2.gz IBKPEEDPPVZVBF-RBSFLKMASA-N 2 1 248.370 1.970 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422903573 411235473 /nfs/dbraw/zinc/23/54/73/411235473.db2.gz FRQDHOBUBHHWKU-SDDRHHMPSA-N 2 1 213.369 1.186 20 0 BDADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423232929 411237446 /nfs/dbraw/zinc/23/74/46/411237446.db2.gz JCUKAFPTIVPPHC-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](CN[C@H]1CCCn2ccnc21)[N@@H+](C)C1CC1 ZINC000655714381 411268136 /nfs/dbraw/zinc/26/81/36/411268136.db2.gz BUKOOBFPKAJOOJ-YPMHNXCESA-N 2 1 248.374 1.790 20 0 BDADMP C[NH+]1CCC(CCO)([NH2+]CC2(C)CCC2)CC1 ZINC000655788682 411271926 /nfs/dbraw/zinc/27/19/26/411271926.db2.gz MSTMEZAKUVAUIN-UHFFFAOYSA-N 2 1 240.391 1.613 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2(CO)CC2)[C@@H](C)C1 ZINC000658162418 411276126 /nfs/dbraw/zinc/27/61/26/411276126.db2.gz XJOFKCQGLSRNEP-AVGNSLFASA-N 2 1 240.391 1.467 20 0 BDADMP COc1cccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000051890071 411284546 /nfs/dbraw/zinc/28/45/46/411284546.db2.gz CABARAVIMODVOI-ZDUSSCGKSA-N 2 1 234.343 1.737 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051889633 411284601 /nfs/dbraw/zinc/28/46/01/411284601.db2.gz JKPLZCDCHLMLPS-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000051889720 411284878 /nfs/dbraw/zinc/28/48/78/411284878.db2.gz ZZXVLXXOIQHCBC-LBPRGKRZSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)CC[N@H+]1C ZINC000658202069 411291262 /nfs/dbraw/zinc/29/12/62/411291262.db2.gz UPFZLGNAFRIDLK-WCQYABFASA-N 2 1 222.332 1.894 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401751022 411318235 /nfs/dbraw/zinc/31/82/35/411318235.db2.gz NTHQQEKTHWJUIA-CYZMBNFOSA-N 2 1 228.380 1.371 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656783621 411361106 /nfs/dbraw/zinc/36/11/06/411361106.db2.gz RJTNOCWNBPUJHJ-RYUDHWBXSA-N 2 1 219.332 1.527 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403851424 411363429 /nfs/dbraw/zinc/36/34/29/411363429.db2.gz WRCSRLIGLWIKNJ-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP COC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123475783 411367896 /nfs/dbraw/zinc/36/78/96/411367896.db2.gz SOWHDSMDMCUKSM-VXGBXAGGSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123475783 411367900 /nfs/dbraw/zinc/36/79/00/411367900.db2.gz SOWHDSMDMCUKSM-VXGBXAGGSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123475783 411367903 /nfs/dbraw/zinc/36/79/03/411367903.db2.gz SOWHDSMDMCUKSM-VXGBXAGGSA-N 2 1 242.363 1.354 20 0 BDADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123475783 411367905 /nfs/dbraw/zinc/36/79/05/411367905.db2.gz SOWHDSMDMCUKSM-VXGBXAGGSA-N 2 1 242.363 1.354 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2CCOCC2)[C@@H]1CC[NH3+] ZINC000404299982 411389781 /nfs/dbraw/zinc/38/97/81/411389781.db2.gz PRSCZFWEAOYPPG-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2ccn(C)n2)[C@H]1CC[NH3+] ZINC000404364948 411391464 /nfs/dbraw/zinc/39/14/64/411391464.db2.gz GRHFWCIDMMAFPZ-AAEUAGOBSA-N 2 1 236.363 1.369 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@H]1CC[NH3+] ZINC000404364948 411391467 /nfs/dbraw/zinc/39/14/67/411391467.db2.gz GRHFWCIDMMAFPZ-AAEUAGOBSA-N 2 1 236.363 1.369 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294440 411455745 /nfs/dbraw/zinc/45/57/45/411455745.db2.gz COYYEWGRHGBKEA-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294440 411455748 /nfs/dbraw/zinc/45/57/48/411455748.db2.gz COYYEWGRHGBKEA-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294440 411455749 /nfs/dbraw/zinc/45/57/49/411455749.db2.gz COYYEWGRHGBKEA-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP Cc1cc(N(C)[C@H](C[NH3+])C2CC2)nc(C)[nH+]1 ZINC000126819939 411459545 /nfs/dbraw/zinc/45/95/45/411459545.db2.gz PHYLPANNRVJXEY-LLVKDONJSA-N 2 1 220.320 1.267 20 0 BDADMP Cc1[nH+]cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1C ZINC000657313379 411460006 /nfs/dbraw/zinc/46/00/06/411460006.db2.gz KVBSTYIUNZQZFJ-STQMWFEESA-N 2 1 248.374 1.445 20 0 BDADMP Cc1[nH+]cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)n1C ZINC000657313379 411460009 /nfs/dbraw/zinc/46/00/09/411460009.db2.gz KVBSTYIUNZQZFJ-STQMWFEESA-N 2 1 248.374 1.445 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)[C@H]1CC[NH3+] ZINC000404409877 411394264 /nfs/dbraw/zinc/39/42/64/411394264.db2.gz BYPHBYIXBKEEHY-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000404503944 411399509 /nfs/dbraw/zinc/39/95/09/411399509.db2.gz FXKSPTMCYPSHLW-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH3+])CCc2ccccc21 ZINC000404831739 411409000 /nfs/dbraw/zinc/40/90/00/411409000.db2.gz YISMUUCLSIOICD-LBPRGKRZSA-N 2 1 218.344 1.997 20 0 BDADMP COCc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])o1 ZINC000382732754 411409117 /nfs/dbraw/zinc/40/91/17/411409117.db2.gz KRANJCNKQAAJFV-UHFFFAOYSA-N 2 1 240.347 1.843 20 0 BDADMP COCc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])o1 ZINC000382732754 411409121 /nfs/dbraw/zinc/40/91/21/411409121.db2.gz KRANJCNKQAAJFV-UHFFFAOYSA-N 2 1 240.347 1.843 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2nccs2)C1 ZINC000657182824 411416646 /nfs/dbraw/zinc/41/66/46/411416646.db2.gz GEUJRMWOBBYSOF-LLVKDONJSA-N 2 1 239.388 1.965 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cn[nH]c1 ZINC000653583526 411425788 /nfs/dbraw/zinc/42/57/88/411425788.db2.gz HXQCFTGZDFDTPZ-UHFFFAOYSA-N 2 1 233.319 1.208 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cn[nH]c1 ZINC000653583526 411425790 /nfs/dbraw/zinc/42/57/90/411425790.db2.gz HXQCFTGZDFDTPZ-UHFFFAOYSA-N 2 1 233.319 1.208 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000414707567 411440730 /nfs/dbraw/zinc/44/07/30/411440730.db2.gz IAVBJZRVQBKPPF-TUAOUCFPSA-N 2 1 214.353 1.063 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@H]1C[NH3+] ZINC000405846846 411443916 /nfs/dbraw/zinc/44/39/16/411443916.db2.gz HXUPCDFBPDAEFE-QJPTWQEYSA-N 2 1 244.404 1.035 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C2(CN)CCC2)CC[NH2+]1 ZINC000414789444 411445978 /nfs/dbraw/zinc/44/59/78/411445978.db2.gz OJOMCCAJGSYOFL-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H](CN(C)C2(C[NH3+])CCC2)CC[NH2+]1 ZINC000414789444 411445980 /nfs/dbraw/zinc/44/59/80/411445980.db2.gz OJOMCCAJGSYOFL-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250239382 169977774 /nfs/dbraw/zinc/97/77/74/169977774.db2.gz HCIYRYRJQMSJJL-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250239382 169977775 /nfs/dbraw/zinc/97/77/75/169977775.db2.gz HCIYRYRJQMSJJL-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805010 411519307 /nfs/dbraw/zinc/51/93/07/411519307.db2.gz IFHLSCXPIFFHKB-JLLWLGSASA-N 2 1 236.363 1.709 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000655817702 411528380 /nfs/dbraw/zinc/52/83/80/411528380.db2.gz ODAFBAYGPCGBAQ-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCO)C[C@@H]1C ZINC000336677385 170010019 /nfs/dbraw/zinc/01/00/19/170010019.db2.gz NSXMXWMKSTTZJL-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCO)C[C@@H]1C ZINC000336677385 170010020 /nfs/dbraw/zinc/01/00/20/170010020.db2.gz NSXMXWMKSTTZJL-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCO)C[C@@H]1C ZINC000336677385 170010021 /nfs/dbraw/zinc/01/00/21/170010021.db2.gz NSXMXWMKSTTZJL-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000044498821 170010345 /nfs/dbraw/zinc/01/03/45/170010345.db2.gz KWFUEKYMXSIHIN-RYUDHWBXSA-N 2 1 236.363 1.413 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(O)(CC)CC)[C@H](C)C1 ZINC000305103747 170013057 /nfs/dbraw/zinc/01/30/57/170013057.db2.gz CFGCAGZOQYCFBP-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000309186124 170016315 /nfs/dbraw/zinc/01/63/15/170016315.db2.gz BHZDAIMCYRTYIR-QWHCGFSZSA-N 3 1 227.396 1.435 20 0 BDADMP CCN1CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000309186124 170016317 /nfs/dbraw/zinc/01/63/17/170016317.db2.gz BHZDAIMCYRTYIR-QWHCGFSZSA-N 2 1 227.396 1.435 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2scnc2C)C1 ZINC000084149286 170016515 /nfs/dbraw/zinc/01/65/15/170016515.db2.gz MGPLMKGEDYFQDI-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2scnc2C)C1 ZINC000084149286 170016516 /nfs/dbraw/zinc/01/65/16/170016516.db2.gz MGPLMKGEDYFQDI-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000356855249 170017402 /nfs/dbraw/zinc/01/74/02/170017402.db2.gz UZYCBNVVYWJZDO-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@H](C)C1 ZINC000336780568 170020315 /nfs/dbraw/zinc/02/03/15/170020315.db2.gz RRDFKSKEYDERBU-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)OC)[C@@H](C)C1 ZINC000336777492 170020697 /nfs/dbraw/zinc/02/06/97/170020697.db2.gz IQJZUEDFBXPHOY-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@@H](C)C1 ZINC000336780570 170021044 /nfs/dbraw/zinc/02/10/44/170021044.db2.gz RRDFKSKEYDERBU-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCO)[C@H](C)C1 ZINC000121333117 170022961 /nfs/dbraw/zinc/02/29/61/170022961.db2.gz AXHAZJCMCNBXRN-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NCC[NH+](C)C(C)C)C1 ZINC000336674664 170031488 /nfs/dbraw/zinc/03/14/88/170031488.db2.gz AXDSBBBDLCYYMM-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@H](NCC[N@H+](C)C(C)C)C1 ZINC000336674664 170031490 /nfs/dbraw/zinc/03/14/90/170031490.db2.gz AXDSBBBDLCYYMM-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@H](NCC[N@@H+](C)C(C)C)C1 ZINC000336674664 170031491 /nfs/dbraw/zinc/03/14/91/170031491.db2.gz AXDSBBBDLCYYMM-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CCOC1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000124461007 170328925 /nfs/dbraw/zinc/32/89/25/170328925.db2.gz CPOQWYICTNULKT-LKSINWNRSA-N 2 1 238.375 1.628 20 0 BDADMP CCOCC(C)(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000339374461 170355325 /nfs/dbraw/zinc/35/53/25/170355325.db2.gz BUWBHAVLAJQEOV-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP CCOCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000126718608 170389031 /nfs/dbraw/zinc/38/90/31/170389031.db2.gz DTENRBXFJOFKFT-LLVKDONJSA-N 2 1 202.342 1.328 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C)CC2)O1 ZINC000657663652 411576632 /nfs/dbraw/zinc/57/66/32/411576632.db2.gz JZGCYSGUBITDDS-DGCLKSJQSA-N 2 1 226.364 1.628 20 0 BDADMP CC1=C(C)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660454636 411587450 /nfs/dbraw/zinc/58/74/50/411587450.db2.gz ABOQIERFERWFKK-AWEZNQCLSA-N 2 1 240.391 1.730 20 0 BDADMP CC1=C(C)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660454636 411587451 /nfs/dbraw/zinc/58/74/51/411587451.db2.gz ABOQIERFERWFKK-AWEZNQCLSA-N 2 1 240.391 1.730 20 0 BDADMP CC1=C(C)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000660454636 411587452 /nfs/dbraw/zinc/58/74/52/411587452.db2.gz ABOQIERFERWFKK-AWEZNQCLSA-N 2 1 240.391 1.730 20 0 BDADMP CC1=C(C)C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000660454636 411587453 /nfs/dbraw/zinc/58/74/53/411587453.db2.gz ABOQIERFERWFKK-AWEZNQCLSA-N 2 1 240.391 1.730 20 0 BDADMP CC1=C[C@H](C)CN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660460059 411588265 /nfs/dbraw/zinc/58/82/65/411588265.db2.gz QBZWAFBAPCCAON-JSGCOSHPSA-N 2 1 240.391 1.586 20 0 BDADMP CC1=C[C@H](C)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660460059 411588266 /nfs/dbraw/zinc/58/82/66/411588266.db2.gz QBZWAFBAPCCAON-JSGCOSHPSA-N 2 1 240.391 1.586 20 0 BDADMP CC1=C[C@H](C)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660460059 411588268 /nfs/dbraw/zinc/58/82/68/411588268.db2.gz QBZWAFBAPCCAON-JSGCOSHPSA-N 2 1 240.391 1.586 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616124 411607916 /nfs/dbraw/zinc/60/79/16/411607916.db2.gz GYRYAQIMWJEQFC-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616124 411607918 /nfs/dbraw/zinc/60/79/18/411607918.db2.gz GYRYAQIMWJEQFC-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616124 411607920 /nfs/dbraw/zinc/60/79/20/411607920.db2.gz GYRYAQIMWJEQFC-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CC=CC3)C2)C1 ZINC000660616505 411608139 /nfs/dbraw/zinc/60/81/39/411608139.db2.gz MBHSSUBLZPBLLQ-AWEZNQCLSA-N 2 1 220.360 1.980 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC3CC=CC3)C2)C1 ZINC000660616505 411608141 /nfs/dbraw/zinc/60/81/41/411608141.db2.gz MBHSSUBLZPBLLQ-AWEZNQCLSA-N 2 1 220.360 1.980 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3CC=CC3)C2)C1 ZINC000660616505 411608143 /nfs/dbraw/zinc/60/81/43/411608143.db2.gz MBHSSUBLZPBLLQ-AWEZNQCLSA-N 2 1 220.360 1.980 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(C)(C)O)C2 ZINC000660661006 411614586 /nfs/dbraw/zinc/61/45/86/411614586.db2.gz YNBXKNQRWDZPKR-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)O)C2 ZINC000660661006 411614587 /nfs/dbraw/zinc/61/45/87/411614587.db2.gz YNBXKNQRWDZPKR-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)O)C2 ZINC000660661006 411614588 /nfs/dbraw/zinc/61/45/88/411614588.db2.gz YNBXKNQRWDZPKR-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2=CCSC2)CC[NH2+]1 ZINC000663506236 411687262 /nfs/dbraw/zinc/68/72/62/411687262.db2.gz KPLVPXJUJLOLJM-NEPJUHHUSA-N 2 1 240.416 1.980 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000663509776 411692929 /nfs/dbraw/zinc/69/29/29/411692929.db2.gz AEJNGTYIVRKGGL-AAEUAGOBSA-N 2 1 248.370 1.750 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000663511084 411693508 /nfs/dbraw/zinc/69/35/08/411693508.db2.gz VDZLKBIAKMMJBI-RYUDHWBXSA-N 2 1 236.359 1.824 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000663513539 411695124 /nfs/dbraw/zinc/69/51/24/411695124.db2.gz KZHLXOQOUQXBAQ-SFYZADRCSA-N 2 1 212.259 1.915 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)CC ZINC000661231736 411737202 /nfs/dbraw/zinc/73/72/02/411737202.db2.gz PZHGLRVBOIBNJD-NEPJUHHUSA-N 2 1 230.396 1.713 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CC1=CCCOC1 ZINC000661653087 411830419 /nfs/dbraw/zinc/83/04/19/411830419.db2.gz PDLDULZMRIZLSZ-UHFFFAOYSA-N 2 1 249.358 1.631 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC1=CCCOC1 ZINC000661653087 411830423 /nfs/dbraw/zinc/83/04/23/411830423.db2.gz PDLDULZMRIZLSZ-UHFFFAOYSA-N 2 1 249.358 1.631 20 0 BDADMP FCC[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000661689981 411840291 /nfs/dbraw/zinc/84/02/91/411840291.db2.gz HSVOQPGRWWKGSC-GFCCVEGCSA-N 2 1 225.311 1.955 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661699680 411844866 /nfs/dbraw/zinc/84/48/66/411844866.db2.gz DSYTYWJEVIIYDR-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP O[C@]12C[C@H]1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000661723892 411860606 /nfs/dbraw/zinc/86/06/06/411860606.db2.gz XSIWAXDDMJTLPW-UONOGXRCSA-N 2 1 238.375 1.319 20 0 BDADMP O[C@]12C[C@H]1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000661723892 411860609 /nfs/dbraw/zinc/86/06/09/411860609.db2.gz XSIWAXDDMJTLPW-UONOGXRCSA-N 2 1 238.375 1.319 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(COC2)C1 ZINC000662073769 411973335 /nfs/dbraw/zinc/97/33/35/411973335.db2.gz LYRRDXHZGINRJJ-GFCCVEGCSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC2(COC2)C1 ZINC000662073769 411973339 /nfs/dbraw/zinc/97/33/39/411973339.db2.gz LYRRDXHZGINRJJ-GFCCVEGCSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC2(COC2)C1 ZINC000662073769 411973342 /nfs/dbraw/zinc/97/33/42/411973342.db2.gz LYRRDXHZGINRJJ-GFCCVEGCSA-N 2 1 224.348 1.193 20 0 BDADMP CC[C@H](C)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154583 412007881 /nfs/dbraw/zinc/00/78/81/412007881.db2.gz XWJKJPPHAQBTSO-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662029424 411945090 /nfs/dbraw/zinc/94/50/90/411945090.db2.gz GEANJLYMZOPNPS-CHWSQXEVSA-N 2 1 235.331 1.160 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662029424 411945094 /nfs/dbraw/zinc/94/50/94/411945094.db2.gz GEANJLYMZOPNPS-CHWSQXEVSA-N 2 1 235.331 1.160 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CCO ZINC000662216814 412028757 /nfs/dbraw/zinc/02/87/57/412028757.db2.gz PJXVCJOMOMHHKN-OCCSQVGLSA-N 2 1 240.391 1.469 20 0 BDADMP CCc1nocc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662245734 412043098 /nfs/dbraw/zinc/04/30/98/412043098.db2.gz OFOUUPGNIUGCDG-WDEREUQCSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1nocc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662245734 412043100 /nfs/dbraw/zinc/04/31/00/412043100.db2.gz OFOUUPGNIUGCDG-WDEREUQCSA-N 2 1 237.347 1.796 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000662256973 412051689 /nfs/dbraw/zinc/05/16/89/412051689.db2.gz KVIBUHXAYIEEIV-JHJVBQTASA-N 2 1 238.375 1.628 20 0 BDADMP CCC[N@@H+](C[C@@H](COC)OC)C1CC[NH2+]CC1 ZINC000662262003 412052821 /nfs/dbraw/zinc/05/28/21/412052821.db2.gz CSZNHPKSNQGEMF-ZDUSSCGKSA-N 2 1 244.379 1.112 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc(C)n1 ZINC000662266386 412057569 /nfs/dbraw/zinc/05/75/69/412057569.db2.gz XJMOYIYDFYDFNS-CMPLNLGQSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc(C)n1 ZINC000662266386 412057570 /nfs/dbraw/zinc/05/75/70/412057570.db2.gz XJMOYIYDFYDFNS-CMPLNLGQSA-N 2 1 234.347 1.263 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310485280 171054103 /nfs/dbraw/zinc/05/41/03/171054103.db2.gz GAQLLHOYDLSLMA-OUCADQQQSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310485280 171054106 /nfs/dbraw/zinc/05/41/06/171054106.db2.gz GAQLLHOYDLSLMA-OUCADQQQSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310485280 171054109 /nfs/dbraw/zinc/05/41/09/171054109.db2.gz GAQLLHOYDLSLMA-OUCADQQQSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310485280 171054110 /nfs/dbraw/zinc/05/41/10/171054110.db2.gz GAQLLHOYDLSLMA-OUCADQQQSA-N 2 1 240.391 1.704 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)nc(C)n1 ZINC000662271898 412062842 /nfs/dbraw/zinc/06/28/42/412062842.db2.gz JUBCLZUUZCZLSK-ZDUSSCGKSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)nc(C)n1 ZINC000662271898 412062845 /nfs/dbraw/zinc/06/28/45/412062845.db2.gz JUBCLZUUZCZLSK-ZDUSSCGKSA-N 2 1 234.347 1.264 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000233952005 171086395 /nfs/dbraw/zinc/08/63/95/171086395.db2.gz BMEWYWSUQLJXTR-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ncn1 ZINC000662273050 412066054 /nfs/dbraw/zinc/06/60/54/412066054.db2.gz ROCAAIXXNROMSB-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])nc(C)n1 ZINC000662273992 412066061 /nfs/dbraw/zinc/06/60/61/412066061.db2.gz QXDPSSXUQYAIIM-CQSZACIVSA-N 2 1 248.374 1.797 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])nc(C)n1 ZINC000662273992 412066063 /nfs/dbraw/zinc/06/60/63/412066063.db2.gz QXDPSSXUQYAIIM-CQSZACIVSA-N 2 1 248.374 1.797 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335918559 171181073 /nfs/dbraw/zinc/18/10/73/171181073.db2.gz ZLPHDWKELSQZAS-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335918559 171181076 /nfs/dbraw/zinc/18/10/76/171181076.db2.gz ZLPHDWKELSQZAS-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335918559 171181078 /nfs/dbraw/zinc/18/10/78/171181078.db2.gz ZLPHDWKELSQZAS-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309216506 171183040 /nfs/dbraw/zinc/18/30/40/171183040.db2.gz FRPKUMZQEPCBNE-CYBMUJFWSA-N 2 1 226.364 1.364 20 0 BDADMP Cc1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662285365 412077691 /nfs/dbraw/zinc/07/76/91/412077691.db2.gz DAQYOSAMMLNDBE-UHFFFAOYSA-N 2 1 234.343 1.199 20 0 BDADMP C[N@H+](CCN)CC[C@H]1CCc2ccccc21 ZINC000662281863 412072762 /nfs/dbraw/zinc/07/27/62/412072762.db2.gz QKPDVAVUXKTKFY-CYBMUJFWSA-N 2 1 218.344 1.997 20 0 BDADMP C[N@@H+](CCN)CC[C@H]1CCc2ccccc21 ZINC000662281863 412072766 /nfs/dbraw/zinc/07/27/66/412072766.db2.gz QKPDVAVUXKTKFY-CYBMUJFWSA-N 2 1 218.344 1.997 20 0 BDADMP C[N@H+](CC[NH3+])CC[C@H]1CCc2ccccc21 ZINC000662281863 412072770 /nfs/dbraw/zinc/07/27/70/412072770.db2.gz QKPDVAVUXKTKFY-CYBMUJFWSA-N 2 1 218.344 1.997 20 0 BDADMP C[N@@H+](CC[NH3+])CC[C@H]1CCc2ccccc21 ZINC000662281863 412072772 /nfs/dbraw/zinc/07/27/72/412072772.db2.gz QKPDVAVUXKTKFY-CYBMUJFWSA-N 2 1 218.344 1.997 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCC2)CCCO1 ZINC000662281784 412073655 /nfs/dbraw/zinc/07/36/55/412073655.db2.gz OXMCVFOSGWLUNH-ZDUSSCGKSA-N 2 1 226.364 1.616 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295612 412084806 /nfs/dbraw/zinc/08/48/06/412084806.db2.gz VSIUZFACTQDNTQ-ZDUSSCGKSA-N 2 1 249.358 1.886 20 0 BDADMP CC[C@H](C)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000055083503 171318842 /nfs/dbraw/zinc/31/88/42/171318842.db2.gz BKBJRGKGRNRZKE-AWEZNQCLSA-N 2 1 241.423 1.922 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662290191 412079692 /nfs/dbraw/zinc/07/96/92/412079692.db2.gz MSBCVIWVCLKBIG-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000357089303 171381177 /nfs/dbraw/zinc/38/11/77/171381177.db2.gz PKPPPFDZIXZXAC-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000662303107 412088355 /nfs/dbraw/zinc/08/83/55/412088355.db2.gz SPXMLBWJDPVAKO-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662303318 412088503 /nfs/dbraw/zinc/08/85/03/412088503.db2.gz VXSWZRCFZRJPRO-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662301739 412088894 /nfs/dbraw/zinc/08/88/94/412088894.db2.gz SCKLWUSGUBCDLI-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP Cc1ccc(CC[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662304362 412089269 /nfs/dbraw/zinc/08/92/69/412089269.db2.gz OZEGETJZHFEMLI-UHFFFAOYSA-N 2 1 230.355 1.961 20 0 BDADMP Cc1ccc(CC[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662304362 412089274 /nfs/dbraw/zinc/08/92/74/412089274.db2.gz OZEGETJZHFEMLI-UHFFFAOYSA-N 2 1 230.355 1.961 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000662312110 412094489 /nfs/dbraw/zinc/09/44/89/412094489.db2.gz FZVCNBHSNJWNCN-AVGNSLFASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000662312110 412094491 /nfs/dbraw/zinc/09/44/91/412094491.db2.gz FZVCNBHSNJWNCN-AVGNSLFASA-N 2 1 226.364 1.615 20 0 BDADMP c1ccc(O[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662316143 412095749 /nfs/dbraw/zinc/09/57/49/412095749.db2.gz IWMMCSJADQHLDN-UKRRQHHQSA-N 2 1 246.354 1.749 20 0 BDADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CC[NH2+]CC1 ZINC000662320170 412101194 /nfs/dbraw/zinc/10/11/94/412101194.db2.gz RTWILRIZWBIYMJ-AGUYFDCRSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+](CC1=CCSC1)C[C@@H]1CC[NH2+]C1 ZINC000662327729 412104968 /nfs/dbraw/zinc/10/49/68/412104968.db2.gz UHIYGSYIWLOEPN-SNVBAGLBSA-N 2 1 212.362 1.201 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1=CCSC1 ZINC000662326808 412105245 /nfs/dbraw/zinc/10/52/45/412105245.db2.gz CNXPFSLJWGCYOM-GFCCVEGCSA-N 2 1 240.416 1.981 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1CCC[NH2+]C1 ZINC000662332785 412106235 /nfs/dbraw/zinc/10/62/35/412106235.db2.gz XJBNUDGDBHHUOR-RYUDHWBXSA-N 2 1 210.365 1.964 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C)C1CC1 ZINC000662345455 412112937 /nfs/dbraw/zinc/11/29/37/412112937.db2.gz YRNSSGHNXZLNKG-AAEUAGOBSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1CC1(C)C)C1CC1 ZINC000662345455 412112940 /nfs/dbraw/zinc/11/29/40/412112940.db2.gz YRNSSGHNXZLNKG-AAEUAGOBSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CC1(C)C ZINC000662345455 412112943 /nfs/dbraw/zinc/11/29/43/412112943.db2.gz YRNSSGHNXZLNKG-AAEUAGOBSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CC1(C)C ZINC000662345455 412112946 /nfs/dbraw/zinc/11/29/46/412112946.db2.gz YRNSSGHNXZLNKG-AAEUAGOBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236815 412176711 /nfs/dbraw/zinc/17/67/11/412176711.db2.gz VBTIMUMDIFLIKX-TUAOUCFPSA-N 2 1 227.396 1.575 20 0 BDADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000665242392 412184178 /nfs/dbraw/zinc/18/41/78/412184178.db2.gz VXBJFTLAGKJSHR-XQQFMLRXSA-N 2 1 248.374 1.398 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(CC)CC ZINC000665242713 412187766 /nfs/dbraw/zinc/18/77/66/412187766.db2.gz IDNFIFLIHBOZFS-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249601 412194164 /nfs/dbraw/zinc/19/41/64/412194164.db2.gz UEVOTDXOURIQAR-YPMHNXCESA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665249601 412194167 /nfs/dbraw/zinc/19/41/67/412194167.db2.gz UEVOTDXOURIQAR-YPMHNXCESA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000665248553 412195316 /nfs/dbraw/zinc/19/53/16/412195316.db2.gz ZDKHAGIQYFHNSX-CHWSQXEVSA-N 2 1 237.391 1.474 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cnn(C)c1 ZINC000665249513 412195421 /nfs/dbraw/zinc/19/54/21/412195421.db2.gz RWIRAUVUVMDELW-SNVBAGLBSA-N 2 1 222.336 1.342 20 0 BDADMP C[C@@H]([NH2+]CCc1ccoc1)[C@@H]1CCCC[NH2+]1 ZINC000665263538 412207496 /nfs/dbraw/zinc/20/74/96/412207496.db2.gz OOBYPTVYWLDINP-YPMHNXCESA-N 2 1 222.332 1.942 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000665265242 412209246 /nfs/dbraw/zinc/20/92/46/412209246.db2.gz SSCQLRWBAUCSFH-VOAKCMCISA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccn1 ZINC000665232967 412172085 /nfs/dbraw/zinc/17/20/85/412172085.db2.gz YMRORLCSBNAQIU-OUCADQQQSA-N 2 1 233.359 1.773 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCCC[NH2+]1 ZINC000422748016 412172578 /nfs/dbraw/zinc/17/25/78/412172578.db2.gz RPHYXNVEKUBAFK-OFTGVCEQSA-N 2 1 224.348 1.427 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)nn1C ZINC000665282105 412226258 /nfs/dbraw/zinc/22/62/58/412226258.db2.gz QVKIFPJACJAYEK-NWDGAFQWSA-N 2 1 238.379 1.753 20 0 BDADMP CC[C@@H]([NH2+]C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000662580259 412227543 /nfs/dbraw/zinc/22/75/43/412227543.db2.gz FQOIVMGWDZPGLC-GFCCVEGCSA-N 2 1 243.395 1.079 20 0 BDADMP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccn(C)n1 ZINC000665282269 412227820 /nfs/dbraw/zinc/22/78/20/412227820.db2.gz URKTWKLGSAMTPJ-NEPJUHHUSA-N 2 1 238.379 1.834 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000665298355 412245667 /nfs/dbraw/zinc/24/56/67/412245667.db2.gz VGQKXKVZKIROTG-SDDRHHMPSA-N 2 1 228.380 1.776 20 0 BDADMP CCc1nn(C)cc1CN[C@H]1C[N@H+](C)C[C@H]1C ZINC000356291911 172041341 /nfs/dbraw/zinc/04/13/41/172041341.db2.gz WLVQLCWGDDDHID-MFKMUULPSA-N 2 1 236.363 1.022 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000333806752 172079577 /nfs/dbraw/zinc/07/95/77/172079577.db2.gz IQBMYGGAYKKJDD-LLVKDONJSA-N 2 1 237.347 1.777 20 0 BDADMP CCn1cc(C[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000050539738 172174078 /nfs/dbraw/zinc/17/40/78/172174078.db2.gz SIKPRXYCNVHYJV-LLVKDONJSA-N 2 1 224.352 1.333 20 0 BDADMP CCn1nccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000252982760 172267687 /nfs/dbraw/zinc/26/76/87/172267687.db2.gz XWQTVBQEDAHPQD-NWDGAFQWSA-N 2 1 236.363 1.462 20 0 BDADMP CCn1nccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000252982760 172267691 /nfs/dbraw/zinc/26/76/91/172267691.db2.gz XWQTVBQEDAHPQD-NWDGAFQWSA-N 2 1 236.363 1.462 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000154350903 172492989 /nfs/dbraw/zinc/49/29/89/172492989.db2.gz HGWCZQSNAUHRKR-BFHYXJOUSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000049818899 172702817 /nfs/dbraw/zinc/70/28/17/172702817.db2.gz LVIZSYJHJCYDPG-UHFFFAOYSA-N 2 1 222.288 1.196 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2cccs2)CC1 ZINC000019948515 172994716 /nfs/dbraw/zinc/99/47/16/172994716.db2.gz NGJKMXUMICNKCZ-UHFFFAOYSA-N 2 1 224.373 1.974 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000336714271 173027365 /nfs/dbraw/zinc/02/73/65/173027365.db2.gz QNFIFKCQABDPAX-DGAVXFQQSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000336714271 173027367 /nfs/dbraw/zinc/02/73/67/173027367.db2.gz QNFIFKCQABDPAX-DGAVXFQQSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000336714271 173027370 /nfs/dbraw/zinc/02/73/70/173027370.db2.gz QNFIFKCQABDPAX-DGAVXFQQSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C(C)(C)O ZINC000245613607 173028292 /nfs/dbraw/zinc/02/82/92/173028292.db2.gz LZWPCFPQKRSIJL-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000245613607 173028294 /nfs/dbraw/zinc/02/82/94/173028294.db2.gz LZWPCFPQKRSIJL-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000245613607 173028297 /nfs/dbraw/zinc/02/82/97/173028297.db2.gz LZWPCFPQKRSIJL-CHWSQXEVSA-N 2 1 240.391 1.706 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CCO ZINC000336680735 173029246 /nfs/dbraw/zinc/02/92/46/173029246.db2.gz XQQZGXYBGQFKEC-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CCO ZINC000336680735 173029248 /nfs/dbraw/zinc/02/92/48/173029248.db2.gz XQQZGXYBGQFKEC-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CCO ZINC000336680735 173029250 /nfs/dbraw/zinc/02/92/50/173029250.db2.gz XQQZGXYBGQFKEC-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000226330020 173030327 /nfs/dbraw/zinc/03/03/27/173030327.db2.gz IJEHEOYFJHUPKV-GFCCVEGCSA-N 2 1 232.331 1.717 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226017471 173034793 /nfs/dbraw/zinc/03/47/93/173034793.db2.gz XTCSEBDHTWAFJC-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226017471 173034796 /nfs/dbraw/zinc/03/47/96/173034796.db2.gz XTCSEBDHTWAFJC-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[NH+](C[C@H]1CCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000336699991 173042591 /nfs/dbraw/zinc/04/25/91/173042591.db2.gz JZWDFBGAOIMWCU-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H]1CCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336699991 173042593 /nfs/dbraw/zinc/04/25/93/173042593.db2.gz JZWDFBGAOIMWCU-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(O)CC1 ZINC000336543062 173051054 /nfs/dbraw/zinc/05/10/54/173051054.db2.gz FMLQYTZQVRCBPA-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000336543062 173051055 /nfs/dbraw/zinc/05/10/55/173051055.db2.gz FMLQYTZQVRCBPA-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000336543062 173051057 /nfs/dbraw/zinc/05/10/57/173051057.db2.gz FMLQYTZQVRCBPA-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCn3ccnc3)[C@H]2C1 ZINC000375245508 173129754 /nfs/dbraw/zinc/12/97/54/173129754.db2.gz SGBCRBHXJULABQ-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCn3ccnc3)[C@H]2C1 ZINC000375245508 173129756 /nfs/dbraw/zinc/12/97/56/173129756.db2.gz SGBCRBHXJULABQ-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCn3ccnc3)[C@H]2C1 ZINC000375245508 173129758 /nfs/dbraw/zinc/12/97/58/173129758.db2.gz SGBCRBHXJULABQ-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCn3ccnc3)[C@H]2C1 ZINC000375245508 173129759 /nfs/dbraw/zinc/12/97/59/173129759.db2.gz SGBCRBHXJULABQ-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCn3ccnc3)[C@@H]2C1 ZINC000375245510 173129921 /nfs/dbraw/zinc/12/99/21/173129921.db2.gz SGBCRBHXJULABQ-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCn3ccnc3)[C@@H]2C1 ZINC000375245510 173129923 /nfs/dbraw/zinc/12/99/23/173129923.db2.gz SGBCRBHXJULABQ-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCn3ccnc3)[C@@H]2C1 ZINC000375245510 173129924 /nfs/dbraw/zinc/12/99/24/173129924.db2.gz SGBCRBHXJULABQ-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCn3ccnc3)[C@@H]2C1 ZINC000375245510 173129926 /nfs/dbraw/zinc/12/99/26/173129926.db2.gz SGBCRBHXJULABQ-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCO)[C@H]2CCC[C@@H]21 ZINC000375849202 173151927 /nfs/dbraw/zinc/15/19/27/173151927.db2.gz GGDLRTYASSENRF-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H]2CCC[C@H]21 ZINC000353393275 173152881 /nfs/dbraw/zinc/15/28/81/173152881.db2.gz IMXIESDUTQLIEH-XDQVBPFNSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCC2)[C@H]2CCC[C@H]21 ZINC000353640279 173153246 /nfs/dbraw/zinc/15/32/46/173153246.db2.gz BYDQQCAFTLHADS-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCn3ccnc3)[C@@H]2C1 ZINC000375245509 173159869 /nfs/dbraw/zinc/15/98/69/173159869.db2.gz SGBCRBHXJULABQ-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CCCn3ccnc3)[C@@H]2C1 ZINC000375245509 173159870 /nfs/dbraw/zinc/15/98/70/173159870.db2.gz SGBCRBHXJULABQ-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CCCn3ccnc3)[C@@H]2C1 ZINC000375245509 173159872 /nfs/dbraw/zinc/15/98/72/173159872.db2.gz SGBCRBHXJULABQ-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCn3ccnc3)[C@@H]2C1 ZINC000375245509 173159874 /nfs/dbraw/zinc/15/98/74/173159874.db2.gz SGBCRBHXJULABQ-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccn2)C1 ZINC000334153029 173163688 /nfs/dbraw/zinc/16/36/88/173163688.db2.gz NHJUILMIEKSZHM-HIFRSBDPSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccn2)C1 ZINC000334153029 173163693 /nfs/dbraw/zinc/16/36/93/173163693.db2.gz NHJUILMIEKSZHM-HIFRSBDPSA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccn2)C1 ZINC000334153029 173163697 /nfs/dbraw/zinc/16/36/97/173163697.db2.gz NHJUILMIEKSZHM-HIFRSBDPSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccccn3)C2)C1 ZINC000292166362 173168308 /nfs/dbraw/zinc/16/83/08/173168308.db2.gz PDHLPKPGKMQLAD-HNNXBMFYSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccccn3)C2)C1 ZINC000292166362 173168309 /nfs/dbraw/zinc/16/83/09/173168309.db2.gz PDHLPKPGKMQLAD-HNNXBMFYSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccccn3)C2)C1 ZINC000292166362 173168311 /nfs/dbraw/zinc/16/83/11/173168311.db2.gz PDHLPKPGKMQLAD-HNNXBMFYSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250744786 173368323 /nfs/dbraw/zinc/36/83/23/173368323.db2.gz NQYSYHOCEJEYKG-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000011891923 173370859 /nfs/dbraw/zinc/37/08/59/173370859.db2.gz MILAMYQAISJABT-LBPRGKRZSA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000011891923 173370860 /nfs/dbraw/zinc/37/08/60/173370860.db2.gz MILAMYQAISJABT-LBPRGKRZSA-N 2 1 222.307 1.867 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)CCOC)C1 ZINC000045044520 173379040 /nfs/dbraw/zinc/37/90/40/173379040.db2.gz VCAIRZKDYJJCIL-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC000162429584 173381295 /nfs/dbraw/zinc/38/12/95/173381295.db2.gz WZZBCLCKGQWGGV-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC000162429584 173381296 /nfs/dbraw/zinc/38/12/96/173381296.db2.gz WZZBCLCKGQWGGV-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP COCCCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000359036162 174176783 /nfs/dbraw/zinc/17/67/83/174176783.db2.gz CCAQKMVTGLXEDG-OLZOCXBDSA-N 2 1 244.379 1.241 20 0 BDADMP COCCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000359036162 174176785 /nfs/dbraw/zinc/17/67/85/174176785.db2.gz CCAQKMVTGLXEDG-OLZOCXBDSA-N 2 1 244.379 1.241 20 0 BDADMP COCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123409666 174188104 /nfs/dbraw/zinc/18/81/04/174188104.db2.gz KYCKCKXNLXDIOU-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123409666 174188106 /nfs/dbraw/zinc/18/81/06/174188106.db2.gz KYCKCKXNLXDIOU-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123409666 174188108 /nfs/dbraw/zinc/18/81/08/174188108.db2.gz KYCKCKXNLXDIOU-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123409666 174188111 /nfs/dbraw/zinc/18/81/11/174188111.db2.gz KYCKCKXNLXDIOU-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368318365 174194387 /nfs/dbraw/zinc/19/43/87/174194387.db2.gz RMERTSDLHACKRZ-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP COCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368318365 174194388 /nfs/dbraw/zinc/19/43/88/174194388.db2.gz RMERTSDLHACKRZ-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP COCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368318365 174194389 /nfs/dbraw/zinc/19/43/89/174194389.db2.gz RMERTSDLHACKRZ-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP COCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339439192 174232379 /nfs/dbraw/zinc/23/23/79/174232379.db2.gz ZPBXXHYYWNWUHR-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP COCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599845 174234534 /nfs/dbraw/zinc/23/45/34/174234534.db2.gz GRXZOJHLEXZNLE-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599845 174234536 /nfs/dbraw/zinc/23/45/36/174234536.db2.gz GRXZOJHLEXZNLE-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599845 174234540 /nfs/dbraw/zinc/23/45/40/174234540.db2.gz GRXZOJHLEXZNLE-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000377803738 174261270 /nfs/dbraw/zinc/26/12/70/174261270.db2.gz ZNCJXGXCRRFFPJ-GHMZBOCLSA-N 2 1 237.347 1.672 20 0 BDADMP COCC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336689646 174274692 /nfs/dbraw/zinc/27/46/92/174274692.db2.gz ZSZNLZWSBHAHBF-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP COCC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336689646 174274694 /nfs/dbraw/zinc/27/46/94/174274694.db2.gz ZSZNLZWSBHAHBF-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1C ZINC000309036353 174274874 /nfs/dbraw/zinc/27/48/74/174274874.db2.gz IJUQWDSEHOUDRV-NEPJUHHUSA-N 2 1 214.353 1.200 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000284001204 174274920 /nfs/dbraw/zinc/27/49/20/174274920.db2.gz HUIGUKAAFMUURK-LLVKDONJSA-N 2 1 240.351 1.029 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000284001204 174274922 /nfs/dbraw/zinc/27/49/22/174274922.db2.gz HUIGUKAAFMUURK-LLVKDONJSA-N 2 1 240.351 1.029 20 0 BDADMP COCC[N@@H+](C)CCCNc1cc[nH+]c(C)c1 ZINC000190167466 174275835 /nfs/dbraw/zinc/27/58/35/174275835.db2.gz XQWSQGKUIALQQT-UHFFFAOYSA-N 2 1 237.347 1.770 20 0 BDADMP COCC[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000336696789 174297785 /nfs/dbraw/zinc/29/77/85/174297785.db2.gz GWJMWVPVACLMSP-UHFFFAOYSA-N 2 1 223.320 1.302 20 0 BDADMP COCC[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000336696789 174297786 /nfs/dbraw/zinc/29/77/86/174297786.db2.gz GWJMWVPVACLMSP-UHFFFAOYSA-N 2 1 223.320 1.302 20 0 BDADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358179078 174363385 /nfs/dbraw/zinc/36/33/85/174363385.db2.gz QXDDADCXFCIXKM-YNEHKIRRSA-N 2 1 244.379 1.110 20 0 BDADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358179078 174363386 /nfs/dbraw/zinc/36/33/86/174363386.db2.gz QXDDADCXFCIXKM-YNEHKIRRSA-N 2 1 244.379 1.110 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000300351793 174378963 /nfs/dbraw/zinc/37/89/63/174378963.db2.gz DOIOEUIEBAHAKO-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374180273 174539625 /nfs/dbraw/zinc/53/96/25/174539625.db2.gz ZKYHHUVHBYXYMF-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP COc1cccc([C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320504 175292591 /nfs/dbraw/zinc/29/25/91/175292591.db2.gz STAWXCCJSNNQBM-FPMFFAJLSA-N 2 1 246.354 1.907 20 0 BDADMP COc1ccsc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309909657 175378296 /nfs/dbraw/zinc/37/82/96/175378296.db2.gz LYOUJWRRXLVQDC-AOOOYVTPSA-N 2 1 238.356 1.408 20 0 BDADMP COc1ccsc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309909657 175378297 /nfs/dbraw/zinc/37/82/97/175378297.db2.gz LYOUJWRRXLVQDC-AOOOYVTPSA-N 2 1 238.356 1.408 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@H]1CCCC[NH2+]1 ZINC000332644898 175928169 /nfs/dbraw/zinc/92/81/69/175928169.db2.gz SJHJZITWOZNBSS-KGYLQXTDSA-N 2 1 248.374 1.387 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCNC1=[NH+]CCCN1 ZINC000303254763 176072047 /nfs/dbraw/zinc/07/20/47/176072047.db2.gz FAQHFKDWWBUCNV-GFCCVEGCSA-N 2 1 238.379 1.190 20 0 BDADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358247559 176113249 /nfs/dbraw/zinc/11/32/49/176113249.db2.gz IAQWJOLNBKWICI-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358247559 176113251 /nfs/dbraw/zinc/11/32/51/176113251.db2.gz IAQWJOLNBKWICI-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[N@@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336363471 176166074 /nfs/dbraw/zinc/16/60/74/176166074.db2.gz DULVOPPJNQKNIZ-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000309372491 176171892 /nfs/dbraw/zinc/17/18/92/176171892.db2.gz FMQOMGKGWHNQLJ-WZRBSPASSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000309372491 176171893 /nfs/dbraw/zinc/17/18/93/176171893.db2.gz FMQOMGKGWHNQLJ-WZRBSPASSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000309372491 176171894 /nfs/dbraw/zinc/17/18/94/176171894.db2.gz FMQOMGKGWHNQLJ-WZRBSPASSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000309372491 176171895 /nfs/dbraw/zinc/17/18/95/176171895.db2.gz FMQOMGKGWHNQLJ-WZRBSPASSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000128626291 176268183 /nfs/dbraw/zinc/26/81/83/176268183.db2.gz LDRCCSUBWPXCCT-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000336781016 176269856 /nfs/dbraw/zinc/26/98/56/176269856.db2.gz SZLIKELGLHQLOS-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000361526002 176271217 /nfs/dbraw/zinc/27/12/17/176271217.db2.gz OTHKSSYUBNBKJQ-JHJVBQTASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H](CN[C@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000336735653 176273608 /nfs/dbraw/zinc/27/36/08/176273608.db2.gz IHSDQXKKDGIGDW-WZRBSPASSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000336735653 176273609 /nfs/dbraw/zinc/27/36/09/176273609.db2.gz IHSDQXKKDGIGDW-WZRBSPASSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](CN[C@H]1C[NH+](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000336735653 176273611 /nfs/dbraw/zinc/27/36/11/176273611.db2.gz IHSDQXKKDGIGDW-WZRBSPASSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](CN[C@H]1C[NH+](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000336735653 176273613 /nfs/dbraw/zinc/27/36/13/176273613.db2.gz IHSDQXKKDGIGDW-WZRBSPASSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(O)CC1 ZINC000036907811 176278069 /nfs/dbraw/zinc/27/80/69/176278069.db2.gz UWRPUIFLBSUQPP-KPHYFBGPSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(C)(C)O ZINC000336680921 176278681 /nfs/dbraw/zinc/27/86/81/176278681.db2.gz XVHATPDBINZPTJ-IJLUTSLNSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000038044772 176279237 /nfs/dbraw/zinc/27/92/37/176279237.db2.gz MQDUWQXQEPACQP-MQYQWHSLSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000300412671 176279321 /nfs/dbraw/zinc/27/93/21/176279321.db2.gz UXMYIHMHGIMOHV-UPJWGTAASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1[NH3+] ZINC000336696208 176289585 /nfs/dbraw/zinc/28/95/85/176289585.db2.gz ARCCHKSBJRZCMA-UKRRQHHQSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1[NH3+] ZINC000336696208 176289587 /nfs/dbraw/zinc/28/95/87/176289587.db2.gz ARCCHKSBJRZCMA-UKRRQHHQSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251672314 176293718 /nfs/dbraw/zinc/29/37/18/176293718.db2.gz LRWULZNGZSAONH-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000123471005 176294803 /nfs/dbraw/zinc/29/48/03/176294803.db2.gz LDPMAQJAZRIYLB-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918603 176297896 /nfs/dbraw/zinc/29/78/96/176297896.db2.gz GZZXPBBUQKJQTN-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049710155 176306206 /nfs/dbraw/zinc/30/62/06/176306206.db2.gz OZQSYSNGTLWOMC-MFKMUULPSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049710155 176306207 /nfs/dbraw/zinc/30/62/07/176306207.db2.gz OZQSYSNGTLWOMC-MFKMUULPSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[C@H]1CC[NH2+]C1 ZINC000251543385 176323633 /nfs/dbraw/zinc/32/36/33/176323633.db2.gz AWCQOOOYMZRYMO-MGPQQGTHSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1COCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000375254301 176332740 /nfs/dbraw/zinc/33/27/40/176332740.db2.gz YJRXNSGYWKBHEP-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP C[C@@H]1COCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000375254301 176332741 /nfs/dbraw/zinc/33/27/41/176332741.db2.gz YJRXNSGYWKBHEP-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000306367349 176355283 /nfs/dbraw/zinc/35/52/83/176355283.db2.gz BRTVYMIGMKUFFW-MWLCHTKSSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCOCC2CC2)CC[NH2+]1 ZINC000235379137 176367317 /nfs/dbraw/zinc/36/73/17/176367317.db2.gz BFNXLOKAPBPOMT-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccn1 ZINC000122297203 176367853 /nfs/dbraw/zinc/36/78/53/176367853.db2.gz BWUZLEDGYPBGCW-MNOVXSKESA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cccnc1 ZINC000049712943 176370933 /nfs/dbraw/zinc/37/09/33/176370933.db2.gz UJLRIBFFXZPVDK-YPMHNXCESA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCOC2)CC[N@@H+]1C ZINC000336690436 176372023 /nfs/dbraw/zinc/37/20/23/176372023.db2.gz AXDHVFYRKFFGIJ-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCOC2)CC[N@H+]1C ZINC000336690436 176372024 /nfs/dbraw/zinc/37/20/24/176372024.db2.gz AXDHVFYRKFFGIJ-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCOC2)CC[NH+]1C ZINC000336690436 176372026 /nfs/dbraw/zinc/37/20/26/176372026.db2.gz AXDHVFYRKFFGIJ-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCOC2)CC[NH+]1C ZINC000336690436 176372029 /nfs/dbraw/zinc/37/20/29/176372029.db2.gz AXDHVFYRKFFGIJ-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCSCCCO)CC[N@H+]1C ZINC000151180288 176376967 /nfs/dbraw/zinc/37/69/67/176376967.db2.gz ZDAVWRCUUHIYIW-NEPJUHHUSA-N 2 1 246.420 1.174 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000336740539 176395986 /nfs/dbraw/zinc/39/59/86/176395986.db2.gz MIWIKPIRYAVFGE-VXGBXAGGSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1CN ZINC000359209681 177097495 /nfs/dbraw/zinc/09/74/95/177097495.db2.gz DFIYGYWQIBNRAC-JSGCOSHPSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CCCN(CCC2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000359209681 177097496 /nfs/dbraw/zinc/09/74/96/177097496.db2.gz DFIYGYWQIBNRAC-JSGCOSHPSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](C)CC2)O1 ZINC000148474092 177190253 /nfs/dbraw/zinc/19/02/53/177190253.db2.gz CSPIOLJWHZABTK-JQWIXIFHSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336737790 177233648 /nfs/dbraw/zinc/23/36/48/177233648.db2.gz JRNWDGQNTHPWOD-FRRDWIJNSA-N 2 1 227.396 1.114 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336737790 177233650 /nfs/dbraw/zinc/23/36/50/177233650.db2.gz JRNWDGQNTHPWOD-FRRDWIJNSA-N 3 1 227.396 1.114 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336737790 177233652 /nfs/dbraw/zinc/23/36/52/177233652.db2.gz JRNWDGQNTHPWOD-FRRDWIJNSA-N 3 1 227.396 1.114 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000020072040 177248075 /nfs/dbraw/zinc/24/80/75/177248075.db2.gz NHHOKGTZTMXXSZ-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@@H](C)C2)CC[NH2+]1 ZINC000235369249 177257817 /nfs/dbraw/zinc/25/78/17/177257817.db2.gz OIQXNOOHCWVUKV-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000045693925 177258159 /nfs/dbraw/zinc/25/81/59/177258159.db2.gz LYMMEJGXADDUSF-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000045693925 177258160 /nfs/dbraw/zinc/25/81/60/177258160.db2.gz LYMMEJGXADDUSF-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000235382329 177259876 /nfs/dbraw/zinc/25/98/76/177259876.db2.gz JLKIDSWYXTVNJX-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000251619769 177262978 /nfs/dbraw/zinc/26/29/78/177262978.db2.gz DWOCUSGNTOAVIR-SMDDNHRTSA-N 2 1 246.354 1.791 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000251581787 177302233 /nfs/dbraw/zinc/30/22/33/177302233.db2.gz FBMCHMWCWZBNHS-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1=CCCOC1 ZINC000348222940 177330408 /nfs/dbraw/zinc/33/04/08/177330408.db2.gz WSLQDOZHSFCYCA-MBNYWOFBSA-N 2 1 238.375 1.651 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOCC1CC1 ZINC000300409612 177332067 /nfs/dbraw/zinc/33/20/67/177332067.db2.gz AUISGBRQZWNARA-MBNYWOFBSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360859754 177333155 /nfs/dbraw/zinc/33/31/55/177333155.db2.gz OEKSEDNANPZBDU-AGIUHOORSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360859754 177333156 /nfs/dbraw/zinc/33/31/56/177333156.db2.gz OEKSEDNANPZBDU-AGIUHOORSA-N 2 1 248.374 1.480 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400335728 225014602 /nfs/dbraw/zinc/01/46/02/225014602.db2.gz FVYYRWODYILGLA-DNIRFERGSA-N 2 1 226.364 1.530 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000400341537 225016553 /nfs/dbraw/zinc/01/65/53/225016553.db2.gz HLOIFJBDCWGSRZ-FIQHERPVSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCOCC1 ZINC000471766440 225076178 /nfs/dbraw/zinc/07/61/78/225076178.db2.gz ARUPNRWIFYVZFL-NSHDSACASA-N 2 1 237.347 1.367 20 0 BDADMP C[C@H]1C[N@@H+](CCCc2cncn2C)CC[C@H]1[NH3+] ZINC000314012297 487656764 /nfs/dbraw/zinc/65/67/64/487656764.db2.gz NVYKCWYPSUMGSX-WCQYABFASA-N 2 1 236.363 1.022 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000166408595 229172749 /nfs/dbraw/zinc/17/27/49/229172749.db2.gz PVBWHNOASZPOFQ-OBJOEFQTSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000166408595 229172754 /nfs/dbraw/zinc/17/27/54/229172754.db2.gz PVBWHNOASZPOFQ-OBJOEFQTSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOCC1CC1 ZINC000227259419 487685074 /nfs/dbraw/zinc/68/50/74/487685074.db2.gz XVZJPGUJZPNMRF-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC000082594397 487687074 /nfs/dbraw/zinc/68/70/74/487687074.db2.gz CODWDSUDFZCFFS-OLZOCXBDSA-N 2 1 226.364 1.759 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000228623013 487696388 /nfs/dbraw/zinc/69/63/88/487696388.db2.gz CDBBWFNSSBSNCQ-OCCSQVGLSA-N 2 1 233.359 1.807 20 0 BDADMP FCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088026320 487699723 /nfs/dbraw/zinc/69/97/23/487699723.db2.gz SOPUWIHJXOQWAU-RYUDHWBXSA-N 2 1 214.328 1.810 20 0 BDADMP CCc1nc(N[C@@H]2CC[NH2+][C@H]2C)cc(C)[nH+]1 ZINC000630543019 487701775 /nfs/dbraw/zinc/70/17/75/487701775.db2.gz AEVHAKVZEGVAMT-VHSXEESVSA-N 2 1 220.320 1.510 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](C)C[NH3+])C1 ZINC001172604057 974882415 /nfs/dbraw/zinc/88/24/15/974882415.db2.gz RLANPTHOCBWHRP-TUAOUCFPSA-N 2 1 242.363 1.245 20 0 BDADMP COCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250166165 487727908 /nfs/dbraw/zinc/72/79/08/487727908.db2.gz IINWDMPZYBKYRN-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP COCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250166161 487728706 /nfs/dbraw/zinc/72/87/06/487728706.db2.gz IINWDMPZYBKYRN-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)C1CC1 ZINC000675509998 487743721 /nfs/dbraw/zinc/74/37/21/487743721.db2.gz LGVWLPJDEHBXCC-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1cc(N[C@H]2CCC[NH2+]CC2)nc(C)[nH+]1 ZINC000226470972 487752656 /nfs/dbraw/zinc/75/26/56/487752656.db2.gz CSNBJFWXWBFIKF-NSHDSACASA-N 2 1 220.320 1.647 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000251340257 487754698 /nfs/dbraw/zinc/75/46/98/487754698.db2.gz QALHXJGVPDMIGJ-YNEHKIRRSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccc(C)cn2)CC[C@H]1[NH3+] ZINC000251849969 487802440 /nfs/dbraw/zinc/80/24/40/487802440.db2.gz RQZNFAKZERMUOO-TZMCWYRMSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)cn2)CC[C@H]1[NH3+] ZINC000251849969 487802447 /nfs/dbraw/zinc/80/24/47/487802447.db2.gz RQZNFAKZERMUOO-TZMCWYRMSA-N 2 1 233.359 1.949 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309256098 487808678 /nfs/dbraw/zinc/80/86/78/487808678.db2.gz OGMNRBBAFKUGAK-OLZOCXBDSA-N 2 1 230.396 1.808 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309256098 487808681 /nfs/dbraw/zinc/80/86/81/487808681.db2.gz OGMNRBBAFKUGAK-OLZOCXBDSA-N 2 1 230.396 1.808 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309256098 487808683 /nfs/dbraw/zinc/80/86/83/487808683.db2.gz OGMNRBBAFKUGAK-OLZOCXBDSA-N 2 1 230.396 1.808 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000234362887 487808582 /nfs/dbraw/zinc/80/85/82/487808582.db2.gz KHCWSCDTZFKLDU-NWDGAFQWSA-N 2 1 206.333 1.988 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1cccnc1Cl ZINC000841048357 587938814 /nfs/dbraw/zinc/93/88/14/587938814.db2.gz HWQCOKAEMYGBKR-MRVPVSSYSA-N 2 1 213.712 1.419 20 0 BDADMP FCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474683 588028294 /nfs/dbraw/zinc/02/82/94/588028294.db2.gz WTGCPDJYVPEPFN-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCCCCC[NH3+] ZINC000842475569 588029521 /nfs/dbraw/zinc/02/95/21/588029521.db2.gz UFXYOFJVVPSGFR-GFCCVEGCSA-N 3 1 229.412 1.859 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccc(C)nc2)CC[C@H]1[NH3+] ZINC000252901588 487837748 /nfs/dbraw/zinc/83/77/48/487837748.db2.gz LFSVWGWNQZYWCC-ZIAGYGMSSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CC[C@H]1[NH3+] ZINC000252901588 487837750 /nfs/dbraw/zinc/83/77/50/487837750.db2.gz LFSVWGWNQZYWCC-ZIAGYGMSSA-N 2 1 233.359 1.949 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846217692 588260244 /nfs/dbraw/zinc/26/02/44/588260244.db2.gz MBFKBOITGVYJKN-GFCCVEGCSA-N 3 1 213.369 1.189 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846217692 588260245 /nfs/dbraw/zinc/26/02/45/588260245.db2.gz MBFKBOITGVYJKN-GFCCVEGCSA-N 3 1 213.369 1.189 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400393455 528818823 /nfs/dbraw/zinc/81/88/23/528818823.db2.gz JIQDITIBCFBEGR-QWHCGFSZSA-N 2 1 227.396 1.447 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000234670329 487850586 /nfs/dbraw/zinc/85/05/86/487850586.db2.gz OAGRMNYCUIQDQG-WDEREUQCSA-N 2 1 200.326 1.001 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccoc1 ZINC000566087704 322956456 /nfs/dbraw/zinc/95/64/56/322956456.db2.gz BUFWIOKYZFOCNB-WDEREUQCSA-N 2 1 208.305 1.930 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000666770364 487876802 /nfs/dbraw/zinc/87/68/02/487876802.db2.gz WECUXOKXTGYLNL-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000666783284 487879930 /nfs/dbraw/zinc/87/99/30/487879930.db2.gz WRTDQHGMRUHTFM-OLZOCXBDSA-N 2 1 246.354 1.894 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000309500393 487887352 /nfs/dbraw/zinc/88/73/52/487887352.db2.gz LKDRRDXDSHFSFM-RYUDHWBXSA-N 2 1 208.349 1.860 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000309500393 487887357 /nfs/dbraw/zinc/88/73/57/487887357.db2.gz LKDRRDXDSHFSFM-RYUDHWBXSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1ncccc1C(F)(F)F ZINC000666831877 487888547 /nfs/dbraw/zinc/88/85/47/487888547.db2.gz FISHGPVPSDPTDU-MRVPVSSYSA-N 2 1 247.264 1.927 20 0 BDADMP c1nc2ccccn2c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000666846775 487889785 /nfs/dbraw/zinc/88/97/85/487889785.db2.gz RVHPHOCLVYDLCW-GFCCVEGCSA-N 2 1 244.342 1.566 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000666856587 487890345 /nfs/dbraw/zinc/89/03/45/487890345.db2.gz SEQCFURREPGAFP-GFCCVEGCSA-N 2 1 249.358 1.712 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000666873279 487896070 /nfs/dbraw/zinc/89/60/70/487896070.db2.gz WAGZLFFXTRVXIQ-ZYHUDNBSSA-N 2 1 236.363 1.213 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)[C@H]1CC[NH3+] ZINC000404296088 487917464 /nfs/dbraw/zinc/91/74/64/487917464.db2.gz DAKVIQLEJWDDIF-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP COCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404296311 487917072 /nfs/dbraw/zinc/91/70/72/487917072.db2.gz NZYGJVJYSQZYJF-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP FC1(F)C[C@]12CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000652364255 487932558 /nfs/dbraw/zinc/93/25/58/487932558.db2.gz BMYWDYSCIZAHLC-UWVGGRQHSA-N 2 1 216.275 1.327 20 0 BDADMP CC(C)CCOCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000049266390 487944873 /nfs/dbraw/zinc/94/48/73/487944873.db2.gz JHFIHKPHDIKBAV-CYBMUJFWSA-N 2 1 228.380 1.720 20 0 BDADMP CC(C)CCOCC[N@@H+](C)CCC[NH3+] ZINC000049265145 487944637 /nfs/dbraw/zinc/94/46/37/487944637.db2.gz MCAPOOHRULRZQW-UHFFFAOYSA-N 2 1 202.342 1.330 20 0 BDADMP C[C@H]1C[C@@H](CO)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000561793725 323007045 /nfs/dbraw/zinc/00/70/45/323007045.db2.gz KADOROJGTGXWLV-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[C@@H](CO)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000561793725 323007046 /nfs/dbraw/zinc/00/70/46/323007046.db2.gz KADOROJGTGXWLV-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[C@@H](CO)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000561793725 323007047 /nfs/dbraw/zinc/00/70/47/323007047.db2.gz KADOROJGTGXWLV-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)Cc2ccno2)[C@@H](C)C1 ZINC000569874461 323043357 /nfs/dbraw/zinc/04/33/57/323043357.db2.gz IHWSDQMJMXTUNR-AAEUAGOBSA-N 2 1 237.347 1.837 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000570264930 323054203 /nfs/dbraw/zinc/05/42/03/323054203.db2.gz JCFQWOGVBBALHG-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000570264930 323054204 /nfs/dbraw/zinc/05/42/04/323054204.db2.gz JCFQWOGVBBALHG-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000570264930 323054205 /nfs/dbraw/zinc/05/42/05/323054205.db2.gz JCFQWOGVBBALHG-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000570529884 323062518 /nfs/dbraw/zinc/06/25/18/323062518.db2.gz ZKLRSROJCVWGTM-KOLCDFICSA-N 2 1 223.320 1.597 20 0 BDADMP CCC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000310391816 323083897 /nfs/dbraw/zinc/08/38/97/323083897.db2.gz LDBXPCXUBMPYDC-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000310391816 323083898 /nfs/dbraw/zinc/08/38/98/323083898.db2.gz LDBXPCXUBMPYDC-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000310391816 323083899 /nfs/dbraw/zinc/08/38/99/323083899.db2.gz LDBXPCXUBMPYDC-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000310391816 323083900 /nfs/dbraw/zinc/08/39/00/323083900.db2.gz LDBXPCXUBMPYDC-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000563154088 323095679 /nfs/dbraw/zinc/09/56/79/323095679.db2.gz FVBLLNLFYITXJJ-PWSUYJOCSA-N 2 1 234.347 1.053 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)COC)C1 ZINC000246245015 323128020 /nfs/dbraw/zinc/12/80/20/323128020.db2.gz SEYQZIOBZCKIPZ-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC000246245015 323128021 /nfs/dbraw/zinc/12/80/21/323128021.db2.gz SEYQZIOBZCKIPZ-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2cncn2C)CC[N@H+]1C ZINC000401866385 323128336 /nfs/dbraw/zinc/12/83/36/323128336.db2.gz HSWOCCATVUJBJR-VXGBXAGGSA-N 3 1 236.363 1.035 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2cncn2C)CCN1C ZINC000401866385 323128337 /nfs/dbraw/zinc/12/83/37/323128337.db2.gz HSWOCCATVUJBJR-VXGBXAGGSA-N 3 1 236.363 1.035 20 0 BDADMP CCc1ncc(CNC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000567141359 323129717 /nfs/dbraw/zinc/12/97/17/323129717.db2.gz XYILZJLZABJOJE-GFCCVEGCSA-N 2 1 248.374 1.470 20 0 BDADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000567141359 323129718 /nfs/dbraw/zinc/12/97/18/323129718.db2.gz XYILZJLZABJOJE-GFCCVEGCSA-N 2 1 248.374 1.470 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([N@H+]2CCC[C@@]3(CCOC3)C2)C1 ZINC000563550489 323129968 /nfs/dbraw/zinc/12/99/68/323129968.db2.gz ZZLVZLJMRMCSGH-MGPQQGTHSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000563616185 323131545 /nfs/dbraw/zinc/13/15/45/323131545.db2.gz NYGSYTIBPQIJKI-AGIUHOORSA-N 2 1 238.375 1.533 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000571103604 323135548 /nfs/dbraw/zinc/13/55/48/323135548.db2.gz FBJPZWLWNHAPQF-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)CC(C)(C)C1 ZINC000571103604 323135549 /nfs/dbraw/zinc/13/55/49/323135549.db2.gz FBJPZWLWNHAPQF-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000571225896 323138707 /nfs/dbraw/zinc/13/87/07/323138707.db2.gz DTNCPASGLWPPQV-CHWSQXEVSA-N 2 1 244.342 1.694 20 0 BDADMP COC(=O)CCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397263379 323152474 /nfs/dbraw/zinc/15/24/74/323152474.db2.gz IECPHKZERVVSHC-WOPDTQHZSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(F)CC2)CC[N@@H+]1C ZINC000306635152 323172984 /nfs/dbraw/zinc/17/29/84/323172984.db2.gz YLXNKDSAIURQTR-VHSXEESVSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(F)CC2)CC[N@H+]1C ZINC000306635152 323172985 /nfs/dbraw/zinc/17/29/85/323172985.db2.gz YLXNKDSAIURQTR-VHSXEESVSA-N 2 1 200.301 1.561 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCOCC1 ZINC000535747714 323190280 /nfs/dbraw/zinc/19/02/80/323190280.db2.gz ZJBDMQBVXHZCFR-UHFFFAOYSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCOCC1 ZINC000535747714 323190281 /nfs/dbraw/zinc/19/02/81/323190281.db2.gz ZJBDMQBVXHZCFR-UHFFFAOYSA-N 2 1 223.320 1.302 20 0 BDADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)C(C)C)[C@H](C)[NH3+] ZINC000399377392 323205261 /nfs/dbraw/zinc/20/52/61/323205261.db2.gz BREXNHKAEMDZRS-RYUDHWBXSA-N 2 1 243.395 1.062 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)S[C@@H](C)C1 ZINC000309255417 323332699 /nfs/dbraw/zinc/33/26/99/323332699.db2.gz OCDLQVCQKJRSGM-SRVKXCTJSA-N 2 1 246.420 1.125 20 0 BDADMP CCN(C)C[C@H](O)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000309255417 323332704 /nfs/dbraw/zinc/33/27/04/323332704.db2.gz OCDLQVCQKJRSGM-SRVKXCTJSA-N 2 1 246.420 1.125 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)CC1 ZINC000309265656 323337443 /nfs/dbraw/zinc/33/74/43/323337443.db2.gz QBZXEXLZBSAJMX-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000309265656 323337446 /nfs/dbraw/zinc/33/74/46/323337446.db2.gz QBZXEXLZBSAJMX-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000309265656 323337451 /nfs/dbraw/zinc/33/74/51/323337451.db2.gz QBZXEXLZBSAJMX-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H](NCC1=CC[N@@H+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000392272984 323376865 /nfs/dbraw/zinc/37/68/65/323376865.db2.gz FBXCSYIPIUSSIP-OCCSQVGLSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000392272984 323376869 /nfs/dbraw/zinc/37/68/69/323376869.db2.gz FBXCSYIPIUSSIP-OCCSQVGLSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000392272984 323376871 /nfs/dbraw/zinc/37/68/71/323376871.db2.gz FBXCSYIPIUSSIP-OCCSQVGLSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCCN1 ZINC000392272984 323376876 /nfs/dbraw/zinc/37/68/76/323376876.db2.gz FBXCSYIPIUSSIP-OCCSQVGLSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCCN1 ZINC000392272984 323376881 /nfs/dbraw/zinc/37/68/81/323376881.db2.gz FBXCSYIPIUSSIP-OCCSQVGLSA-N 2 1 237.391 1.369 20 0 BDADMP Cc1cc(N[C@H]2CC[NH2+][C@H](C)C2)nc(C)[nH+]1 ZINC000235443165 487959831 /nfs/dbraw/zinc/95/98/31/487959831.db2.gz HTJMZZDVKOXORD-KCJUWKMLSA-N 2 1 220.320 1.646 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CCOC ZINC000122322512 324041989 /nfs/dbraw/zinc/04/19/89/324041989.db2.gz AKOMUALISIHOTL-LBPRGKRZSA-N 2 1 216.369 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CCOC ZINC000122322512 324041991 /nfs/dbraw/zinc/04/19/91/324041991.db2.gz AKOMUALISIHOTL-LBPRGKRZSA-N 2 1 216.369 1.733 20 0 BDADMP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cs1 ZINC000400341346 324166801 /nfs/dbraw/zinc/16/68/01/324166801.db2.gz IULJVNLWJROIPV-CABZTGNLSA-N 2 1 239.388 1.724 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)cn1 ZINC000529529726 324325817 /nfs/dbraw/zinc/32/58/17/324325817.db2.gz CVAJDFYQEHVMCC-UHFFFAOYSA-N 2 1 248.305 1.906 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000529539917 324331086 /nfs/dbraw/zinc/33/10/86/324331086.db2.gz BXBSVRRMVWCDSY-UHFFFAOYSA-N 2 1 235.306 1.572 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215657 324531505 /nfs/dbraw/zinc/53/15/05/324531505.db2.gz HQGYWWUICFXHNW-AAEUAGOBSA-N 2 1 246.358 1.282 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130451853 325053349 /nfs/dbraw/zinc/05/33/49/325053349.db2.gz MHQFTEXEWLOXSH-QWHCGFSZSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000130451853 325053351 /nfs/dbraw/zinc/05/33/51/325053351.db2.gz MHQFTEXEWLOXSH-QWHCGFSZSA-N 2 1 239.407 1.541 20 0 BDADMP CC[C@@H](C(=O)NCC[N@@H+](CC)C(C)C)[NH+](C)C ZINC000131457186 325153446 /nfs/dbraw/zinc/15/34/46/325153446.db2.gz KTUOTOKMIGCBNA-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]1(C)CO ZINC000545396715 325218199 /nfs/dbraw/zinc/21/81/99/325218199.db2.gz WJBABESBGYWOPY-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@]1(C)CO ZINC000545396715 325218202 /nfs/dbraw/zinc/21/82/02/325218202.db2.gz WJBABESBGYWOPY-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@]1(C)CO ZINC000545396715 325218204 /nfs/dbraw/zinc/21/82/04/325218204.db2.gz WJBABESBGYWOPY-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]1(C)CO ZINC000546104140 325265577 /nfs/dbraw/zinc/26/55/77/325265577.db2.gz HJGXGFIBWVJQBF-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]1(C)CO ZINC000546104140 325265578 /nfs/dbraw/zinc/26/55/78/325265578.db2.gz HJGXGFIBWVJQBF-CYBMUJFWSA-N 2 1 237.347 1.428 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133938637 325332566 /nfs/dbraw/zinc/33/25/66/325332566.db2.gz HPNZFZHZMCHCMC-AXFHLTTASA-N 2 1 216.394 1.810 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133938637 325332568 /nfs/dbraw/zinc/33/25/68/325332568.db2.gz HPNZFZHZMCHCMC-AXFHLTTASA-N 2 1 216.394 1.810 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000158590658 487967827 /nfs/dbraw/zinc/96/78/27/487967827.db2.gz CCSVXVCDJIGQOH-OUAUKWLOSA-N 2 1 214.378 1.422 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cnccn1 ZINC000566302697 326031004 /nfs/dbraw/zinc/03/10/04/326031004.db2.gz KFIAEFROELAQJR-GFCCVEGCSA-N 2 1 234.347 1.298 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCN(C)c1ccccc1 ZINC000566412579 326041505 /nfs/dbraw/zinc/04/15/05/326041505.db2.gz HZACMSQRLOVWME-KBPBESRZSA-N 2 1 247.386 1.934 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566483300 326056397 /nfs/dbraw/zinc/05/63/97/326056397.db2.gz UGURLOVPAYJQMJ-MJBXVCDLSA-N 2 1 241.423 1.966 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCn2ccnc2)[C@H](C)C1 ZINC000155670796 326206404 /nfs/dbraw/zinc/20/64/04/326206404.db2.gz RNZNXMYGKCKTEQ-CHWSQXEVSA-N 2 1 236.363 1.203 20 0 BDADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000567654310 326239292 /nfs/dbraw/zinc/23/92/92/326239292.db2.gz XVESFSVTBMBPMV-NWDGAFQWSA-N 2 1 224.348 1.287 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567795409 326259218 /nfs/dbraw/zinc/25/92/18/326259218.db2.gz ULIITORETFDWGC-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567795409 326259219 /nfs/dbraw/zinc/25/92/19/326259219.db2.gz ULIITORETFDWGC-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCc2ccccc2C1 ZINC000568050819 326300231 /nfs/dbraw/zinc/30/02/31/326300231.db2.gz HGZYKVCISPARFD-OAHLLOKOSA-N 2 1 248.370 1.405 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000158268324 326314238 /nfs/dbraw/zinc/31/42/38/326314238.db2.gz ZDFKSALIRNTBNL-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000568261433 326336784 /nfs/dbraw/zinc/33/67/84/326336784.db2.gz UMEMEEMSPWFOBP-STQMWFEESA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C1CC1 ZINC000568261433 326336786 /nfs/dbraw/zinc/33/67/86/326336786.db2.gz UMEMEEMSPWFOBP-STQMWFEESA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000568261433 326336787 /nfs/dbraw/zinc/33/67/87/326336787.db2.gz UMEMEEMSPWFOBP-STQMWFEESA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1C1CC1 ZINC000568261433 326336789 /nfs/dbraw/zinc/33/67/89/326336789.db2.gz UMEMEEMSPWFOBP-STQMWFEESA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000568499386 326359694 /nfs/dbraw/zinc/35/96/94/326359694.db2.gz PUUMMYRAYGFCPT-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP c1cc(C[NH+]2CCOCC2)c2c(c1)C[NH2+]CC2 ZINC000134757240 487998349 /nfs/dbraw/zinc/99/83/49/487998349.db2.gz RKGKUMSWKXBMDQ-UHFFFAOYSA-N 2 1 232.327 1.165 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000488293850 533715544 /nfs/dbraw/zinc/71/55/44/533715544.db2.gz GGJOGGMLQUDZOY-CHWSQXEVSA-N 2 1 240.391 1.421 20 0 BDADMP CN(C)[C@@H](C[NH2+]CCC[NH3+])c1ccccc1 ZINC000135260618 488023967 /nfs/dbraw/zinc/02/39/67/488023967.db2.gz FDEJWJRMFXJZSN-ZDUSSCGKSA-N 2 1 221.348 1.228 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000147487163 488029289 /nfs/dbraw/zinc/02/92/89/488029289.db2.gz UKGVPPQRLZFALZ-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cnn(CC)c2)CC[C@@H]1[NH3+] ZINC000147502552 488031292 /nfs/dbraw/zinc/03/12/92/488031292.db2.gz GFUZPTHNLHNGFZ-OLZOCXBDSA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cnn(CC)c2)CC[C@@H]1[NH3+] ZINC000147502552 488031297 /nfs/dbraw/zinc/03/12/97/488031297.db2.gz GFUZPTHNLHNGFZ-OLZOCXBDSA-N 2 1 236.363 1.462 20 0 BDADMP C[NH+](C)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084479610 488053615 /nfs/dbraw/zinc/05/36/15/488053615.db2.gz YGEKMKXZXKXZGF-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084479610 488053620 /nfs/dbraw/zinc/05/36/20/488053620.db2.gz YGEKMKXZXKXZGF-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084479610 488053623 /nfs/dbraw/zinc/05/36/23/488053623.db2.gz YGEKMKXZXKXZGF-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP Cc1ncc(C[N@@H+]2CCS[C@H](C)C2)n1C ZINC000667594403 488054905 /nfs/dbraw/zinc/05/49/05/488054905.db2.gz DPBJTYPFMRCAMD-SECBINFHSA-N 2 1 225.361 1.666 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@H](C)C[NH2+]C ZINC000663509956 488055093 /nfs/dbraw/zinc/05/50/93/488055093.db2.gz BLULXPBUERDGNG-GHMZBOCLSA-N 2 1 202.342 1.389 20 0 BDADMP CC(C)=CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655760453 488063387 /nfs/dbraw/zinc/06/33/87/488063387.db2.gz QHYIBEXUBRSKIV-AWEZNQCLSA-N 2 1 238.375 1.796 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](CCCO)C1CC1 ZINC000666640313 488068453 /nfs/dbraw/zinc/06/84/53/488068453.db2.gz WLLUBFGPKLSKBA-LLVKDONJSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CCCO)C1CC1 ZINC000666640313 488068455 /nfs/dbraw/zinc/06/84/55/488068455.db2.gz WLLUBFGPKLSKBA-LLVKDONJSA-N 2 1 214.353 1.207 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000389109308 488077628 /nfs/dbraw/zinc/07/76/28/488077628.db2.gz ADROBZMBOJSZRE-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000389109308 488077633 /nfs/dbraw/zinc/07/76/33/488077633.db2.gz ADROBZMBOJSZRE-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000257687450 488081859 /nfs/dbraw/zinc/08/18/59/488081859.db2.gz MRTASSUBUBECNH-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000257687450 488081863 /nfs/dbraw/zinc/08/18/63/488081863.db2.gz MRTASSUBUBECNH-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP Cc1cc(N[C@@H]2CCC[NH2+]CC2)nc(C)[nH+]1 ZINC000226470968 488086106 /nfs/dbraw/zinc/08/61/06/488086106.db2.gz CSNBJFWXWBFIKF-LLVKDONJSA-N 2 1 220.320 1.647 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257757621 488087187 /nfs/dbraw/zinc/08/71/87/488087187.db2.gz WXVWDTVNQPVZMP-JSGCOSHPSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257757621 488087191 /nfs/dbraw/zinc/08/71/91/488087191.db2.gz WXVWDTVNQPVZMP-JSGCOSHPSA-N 2 1 231.343 1.828 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@@H](CO)C(C)(C)C ZINC000393974656 488092496 /nfs/dbraw/zinc/09/24/96/488092496.db2.gz SUQXVXGRWAWTMM-JTQLQIEISA-N 2 1 216.369 1.371 20 0 BDADMP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000402844339 488103837 /nfs/dbraw/zinc/10/38/37/488103837.db2.gz PYHIVCZISGXSMR-OLZOCXBDSA-N 2 1 248.374 1.400 20 0 BDADMP Cc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1C ZINC000662287216 487537695 /nfs/dbraw/zinc/53/76/95/487537695.db2.gz UVCINHKNEQHGGO-UHFFFAOYSA-N 2 1 248.370 1.508 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC([NH3+])C1 ZINC000403086361 488113944 /nfs/dbraw/zinc/11/39/44/488113944.db2.gz QEWOIMZTXJGTJF-HXFVIYLFSA-N 2 1 208.349 1.844 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CCCO)C1CC1 ZINC000683141577 488117910 /nfs/dbraw/zinc/11/79/10/488117910.db2.gz WGXCGENVDCAVPM-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086729967 487540184 /nfs/dbraw/zinc/54/01/84/487540184.db2.gz PKPODPRPTKMJEN-GWCFXTLKSA-N 2 1 222.307 1.708 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168875214 487549103 /nfs/dbraw/zinc/54/91/03/487549103.db2.gz OIHZNXRVTPBZEE-CMPLNLGQSA-N 2 1 236.363 1.294 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168875214 487549108 /nfs/dbraw/zinc/54/91/08/487549108.db2.gz OIHZNXRVTPBZEE-CMPLNLGQSA-N 2 1 236.363 1.294 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C)nc1 ZINC000062052954 487491624 /nfs/dbraw/zinc/49/16/24/487491624.db2.gz AEHIRGMHVDDHSH-UHFFFAOYSA-N 2 1 230.315 1.685 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000381031906 487493227 /nfs/dbraw/zinc/49/32/27/487493227.db2.gz DMAPIFOYUSIELJ-AAEUAGOBSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000381031906 487493230 /nfs/dbraw/zinc/49/32/30/487493230.db2.gz DMAPIFOYUSIELJ-AAEUAGOBSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000381031906 487493237 /nfs/dbraw/zinc/49/32/37/487493237.db2.gz DMAPIFOYUSIELJ-AAEUAGOBSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)C ZINC000381076399 487494515 /nfs/dbraw/zinc/49/45/15/487494515.db2.gz QDYXYRVERLXMME-LBPRGKRZSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)C ZINC000381076399 487494519 /nfs/dbraw/zinc/49/45/19/487494519.db2.gz QDYXYRVERLXMME-LBPRGKRZSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)C ZINC000381076399 487494522 /nfs/dbraw/zinc/49/45/22/487494522.db2.gz QDYXYRVERLXMME-LBPRGKRZSA-N 2 1 230.396 1.665 20 0 BDADMP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[NH2+]CC1 ZINC000161788810 487519487 /nfs/dbraw/zinc/51/94/87/487519487.db2.gz VLPXINSQQWTUIL-CYBMUJFWSA-N 2 1 246.354 1.848 20 0 BDADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[NH2+]CC1 ZINC000161788810 487519489 /nfs/dbraw/zinc/51/94/89/487519489.db2.gz VLPXINSQQWTUIL-CYBMUJFWSA-N 2 1 246.354 1.848 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662274587 487523887 /nfs/dbraw/zinc/52/38/87/487523887.db2.gz XHVSSEYAJYTLML-YVECIDJPSA-N 2 1 208.349 1.703 20 0 BDADMP Cc1nnc([C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH]1 ZINC000662273809 490045065 /nfs/dbraw/zinc/04/50/65/490045065.db2.gz PNSILRPHFWCOAW-ZMLRMANQSA-N 2 1 249.362 1.106 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532291117 487603593 /nfs/dbraw/zinc/60/35/93/487603593.db2.gz HYHXUJUGUIIRMQ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+]1CCN(c2nc(C)nc(C)c2C)C[C@H]1C ZINC000677152539 487984915 /nfs/dbraw/zinc/98/49/15/487984915.db2.gz NKFUSYBBOPPNIJ-SNVBAGLBSA-N 2 1 248.374 1.932 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000309210379 488036966 /nfs/dbraw/zinc/03/69/66/488036966.db2.gz DIJDMEXJIFEWCJ-VXGBXAGGSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000309210379 488036968 /nfs/dbraw/zinc/03/69/68/488036968.db2.gz DIJDMEXJIFEWCJ-VXGBXAGGSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCSC1 ZINC000309210379 488036972 /nfs/dbraw/zinc/03/69/72/488036972.db2.gz DIJDMEXJIFEWCJ-VXGBXAGGSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000309210379 488036973 /nfs/dbraw/zinc/03/69/73/488036973.db2.gz DIJDMEXJIFEWCJ-VXGBXAGGSA-N 2 1 246.420 1.125 20 0 BDADMP Cc1occc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000321475905 488140343 /nfs/dbraw/zinc/14/03/43/488140343.db2.gz DRPRRUVZNJEVBT-RYUDHWBXSA-N 2 1 206.289 1.239 20 0 BDADMP C[N@@H+]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000134268500 488166235 /nfs/dbraw/zinc/16/62/35/488166235.db2.gz CLGYQTWGGYDVBV-ZDUSSCGKSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000134268500 488166241 /nfs/dbraw/zinc/16/62/41/488166241.db2.gz CLGYQTWGGYDVBV-ZDUSSCGKSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH2+]CCC[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000435878877 488185145 /nfs/dbraw/zinc/18/51/45/488185145.db2.gz HAMOYOUDAMJFAS-ZDUSSCGKSA-N 2 1 247.386 1.936 20 0 BDADMP Cc1[nH+]cc(CN(C)CC[N@H+](C)C2CC2)n1C ZINC000668168493 488213392 /nfs/dbraw/zinc/21/33/92/488213392.db2.gz ZELSINYDTKFUGU-UHFFFAOYSA-N 2 1 236.363 1.255 20 0 BDADMP Cc1[nH+]cc(CN(C)CC[N@@H+](C)C2CC2)n1C ZINC000668168493 488213397 /nfs/dbraw/zinc/21/33/97/488213397.db2.gz ZELSINYDTKFUGU-UHFFFAOYSA-N 2 1 236.363 1.255 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@]1(C)CCCO1 ZINC000683889696 488237445 /nfs/dbraw/zinc/23/74/45/488237445.db2.gz YOCWXSZATUCFCG-AAEUAGOBSA-N 2 1 237.347 1.510 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679128211 488311061 /nfs/dbraw/zinc/31/10/61/488311061.db2.gz NCGSEAMVUAVTCP-IJLUTSLNSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679128211 488311064 /nfs/dbraw/zinc/31/10/64/488311064.db2.gz NCGSEAMVUAVTCP-IJLUTSLNSA-N 2 1 214.353 1.220 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000679334036 488341351 /nfs/dbraw/zinc/34/13/51/488341351.db2.gz FKXUSOXDXXGLEL-UHTWSYAYSA-N 2 1 248.374 1.996 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679334036 488341352 /nfs/dbraw/zinc/34/13/52/488341352.db2.gz FKXUSOXDXXGLEL-UHTWSYAYSA-N 2 1 248.374 1.996 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC2)[C@H](C)C1 ZINC000122340755 490133377 /nfs/dbraw/zinc/13/33/77/490133377.db2.gz LYZUVCCXMGRCLI-VXGBXAGGSA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+]CCC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000415121861 490214871 /nfs/dbraw/zinc/21/48/71/490214871.db2.gz KYLFOKRPWZSZRP-STQMWFEESA-N 2 1 220.316 1.143 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396721985 490220520 /nfs/dbraw/zinc/22/05/20/490220520.db2.gz WNZVTHGMNSXTOY-MNOVXSKESA-N 2 1 214.353 1.389 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1(C)COC1 ZINC000070617431 490226602 /nfs/dbraw/zinc/22/66/02/490226602.db2.gz UMGQDBTUIKQQJX-NSHDSACASA-N 2 1 214.353 1.343 20 0 BDADMP C([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000228554416 490291261 /nfs/dbraw/zinc/29/12/61/490291261.db2.gz RUTHAICUCNWNGL-QWRGUYRKSA-N 2 1 214.378 1.471 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)CC[N@H+]1C ZINC000130260939 490349628 /nfs/dbraw/zinc/34/96/28/490349628.db2.gz DEHGQQMMXMBRIL-DGCLKSJQSA-N 2 1 234.343 1.965 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)CC[N@H+]1C ZINC000130261358 490349663 /nfs/dbraw/zinc/34/96/63/490349663.db2.gz DEHGQQMMXMBRIL-YPMHNXCESA-N 2 1 234.343 1.965 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000335516673 490394564 /nfs/dbraw/zinc/39/45/64/490394564.db2.gz RZHINHCZPVQNDU-BLYZHGLHSA-N 3 1 239.407 1.447 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000335424664 490542053 /nfs/dbraw/zinc/54/20/53/490542053.db2.gz GLTNCYRMIYWLQK-PWSUYJOCSA-N 2 1 212.337 1.238 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCS[C@H]2C)CC1 ZINC000220513116 490604415 /nfs/dbraw/zinc/60/44/15/490604415.db2.gz XKTKUAUOLUJJGF-JQWIXIFHSA-N 2 1 228.405 1.954 20 0 BDADMP CCSCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598681755 491084382 /nfs/dbraw/zinc/08/43/82/491084382.db2.gz JKUNRRRFXDDYGQ-GHMZBOCLSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598681755 491084384 /nfs/dbraw/zinc/08/43/84/491084384.db2.gz JKUNRRRFXDDYGQ-GHMZBOCLSA-N 2 1 214.378 1.553 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000665283035 491107907 /nfs/dbraw/zinc/10/79/07/491107907.db2.gz GLDNGFHPKLHVFB-OUAUKWLOSA-N 3 1 201.358 1.075 20 0 BDADMP CC1(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668739020 491133093 /nfs/dbraw/zinc/13/30/93/491133093.db2.gz IOEDNRKRENWGHQ-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])CC1 ZINC001172767182 974937159 /nfs/dbraw/zinc/93/71/59/974937159.db2.gz XMRZWMSHYQKKIB-WDEREUQCSA-N 2 1 242.363 1.435 20 0 BDADMP COC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757129106 582504856 /nfs/dbraw/zinc/50/48/56/582504856.db2.gz KSMJPFZQHSTENW-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757129106 582504857 /nfs/dbraw/zinc/50/48/57/582504857.db2.gz KSMJPFZQHSTENW-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP CSC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400479412 533781494 /nfs/dbraw/zinc/78/14/94/533781494.db2.gz FDUHJWVCJLUFKW-IVZWLZJFSA-N 2 1 202.367 1.468 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@H]1C ZINC000494904883 533945877 /nfs/dbraw/zinc/94/58/77/533945877.db2.gz ZYSJMDKDHHNOTD-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000082584219 535590528 /nfs/dbraw/zinc/59/05/28/535590528.db2.gz UEJIEOJZOVMIMC-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000892517409 582905270 /nfs/dbraw/zinc/90/52/70/582905270.db2.gz JNALGORINFYTGK-NSHDSACASA-N 2 1 230.352 1.258 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000892517409 582905274 /nfs/dbraw/zinc/90/52/74/582905274.db2.gz JNALGORINFYTGK-NSHDSACASA-N 2 1 230.352 1.258 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000335853768 536482139 /nfs/dbraw/zinc/48/21/39/536482139.db2.gz HBIBBQWUCYOYDF-JSGCOSHPSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000335853768 536482142 /nfs/dbraw/zinc/48/21/42/536482142.db2.gz HBIBBQWUCYOYDF-JSGCOSHPSA-N 2 1 238.375 1.365 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226336380 535003043 /nfs/dbraw/zinc/00/30/43/535003043.db2.gz LEGUNBJNQYZKBT-ZIAGYGMSSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226336380 535003047 /nfs/dbraw/zinc/00/30/47/535003047.db2.gz LEGUNBJNQYZKBT-ZIAGYGMSSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226336380 535003049 /nfs/dbraw/zinc/00/30/49/535003049.db2.gz LEGUNBJNQYZKBT-ZIAGYGMSSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000221918302 535004425 /nfs/dbraw/zinc/00/44/25/535004425.db2.gz JJEVODCNMPLMKO-GFCCVEGCSA-N 2 1 238.379 1.801 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000221918302 535004429 /nfs/dbraw/zinc/00/44/29/535004429.db2.gz JJEVODCNMPLMKO-GFCCVEGCSA-N 2 1 238.379 1.801 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCOC1 ZINC000251285225 535062844 /nfs/dbraw/zinc/06/28/44/535062844.db2.gz FELMBQAYNXJPKN-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOCC(F)F ZINC000348750183 535063008 /nfs/dbraw/zinc/06/30/08/535063008.db2.gz OEJCQMPBMJKUHL-SNVBAGLBSA-N 2 1 238.322 1.573 20 0 BDADMP CCC(CC)[C@H](C[NH2+]CC1(C)COC1)[NH+](C)C ZINC000227519135 535145761 /nfs/dbraw/zinc/14/57/61/535145761.db2.gz IVRHKFQTLRVUBO-ZDUSSCGKSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000261797706 535238297 /nfs/dbraw/zinc/23/82/97/535238297.db2.gz GQNHUTZXLCIDQK-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP CC[NH+]1CCC(NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000223240450 535474271 /nfs/dbraw/zinc/47/42/71/535474271.db2.gz UXADNPJJXPODDL-GFCCVEGCSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCCOC1 ZINC000352188226 535503316 /nfs/dbraw/zinc/50/33/16/535503316.db2.gz XLAIIEVOMJYDFR-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCCOC1 ZINC000352188226 535503323 /nfs/dbraw/zinc/50/33/23/535503323.db2.gz XLAIIEVOMJYDFR-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000252714833 535590435 /nfs/dbraw/zinc/59/04/35/535590435.db2.gz TVKWIFDEXQEYBY-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000219839508 535609907 /nfs/dbraw/zinc/60/99/07/535609907.db2.gz PCUCXYZIJVYWHH-LLVKDONJSA-N 2 1 222.336 1.074 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000219839508 535609912 /nfs/dbraw/zinc/60/99/12/535609912.db2.gz PCUCXYZIJVYWHH-LLVKDONJSA-N 2 1 222.336 1.074 20 0 BDADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261535358 535704872 /nfs/dbraw/zinc/70/48/72/535704872.db2.gz OGZGUJBFNIAYER-GHMZBOCLSA-N 2 1 216.394 1.941 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@@H](C)O ZINC000352185360 535727485 /nfs/dbraw/zinc/72/74/85/535727485.db2.gz BWQOQRQNQMDKAT-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@@H](C)O ZINC000352185360 535727488 /nfs/dbraw/zinc/72/74/88/535727488.db2.gz BWQOQRQNQMDKAT-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC000261596176 535898139 /nfs/dbraw/zinc/89/81/39/535898139.db2.gz YOYVULYDGFZLCO-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC000261596176 535898141 /nfs/dbraw/zinc/89/81/41/535898141.db2.gz YOYVULYDGFZLCO-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000261897893 535898225 /nfs/dbraw/zinc/89/82/25/535898225.db2.gz WDMBXGIHBGSXFA-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@H](COC)[NH2+]C1CC[NH+](CC)CC1 ZINC000070624202 536121299 /nfs/dbraw/zinc/12/12/99/536121299.db2.gz DXSOVZCNUPPPKL-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP CCc1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc(C)[nH+]1 ZINC000261553879 536126708 /nfs/dbraw/zinc/12/67/08/536126708.db2.gz OJOQHSWNFNXBIG-PHIMTYICSA-N 2 1 232.331 1.003 20 0 BDADMP CN(C)c1cc[nH+]c(N2CCC([NH+](C)C)CC2)n1 ZINC000301719070 536154957 /nfs/dbraw/zinc/15/49/57/536154957.db2.gz IJGGIMJYISSESZ-UHFFFAOYSA-N 2 1 249.362 1.073 20 0 BDADMP C[NH2+][C@@H](C)CNc1cc[nH+]cc1Br ZINC000261530461 536345167 /nfs/dbraw/zinc/34/51/67/536345167.db2.gz ZZWBQCXSVHITDW-ZETCQYMHSA-N 2 1 244.136 1.864 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@H]1CCOC1 ZINC000261560358 536458632 /nfs/dbraw/zinc/45/86/32/536458632.db2.gz ZTXJAWRMZOJHIU-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@H]1CCOC1 ZINC000261560358 536458633 /nfs/dbraw/zinc/45/86/33/536458633.db2.gz ZTXJAWRMZOJHIU-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP COCCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000227737462 536511515 /nfs/dbraw/zinc/51/15/15/536511515.db2.gz MLURDAFAXZQZDX-NSHDSACASA-N 2 1 202.342 1.328 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000227493250 536684747 /nfs/dbraw/zinc/68/47/47/536684747.db2.gz ISVOZFUZQSFADW-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000261534546 536707929 /nfs/dbraw/zinc/70/79/29/536707929.db2.gz RZDXTAGHZWAMMM-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@](C)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893323327 583101021 /nfs/dbraw/zinc/10/10/21/583101021.db2.gz BQOCKMNGLRVCTO-WVMKXHBISA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)[C@H](C)O1 ZINC000893888607 583244405 /nfs/dbraw/zinc/24/44/05/583244405.db2.gz KPRGVRGOJDUPGD-UPJWGTAASA-N 2 1 240.391 1.826 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853022944 588716570 /nfs/dbraw/zinc/71/65/70/588716570.db2.gz INTWYXZVIHADOR-SNVBAGLBSA-N 2 1 246.445 1.853 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCOCC1 ZINC000111173028 588726375 /nfs/dbraw/zinc/72/63/75/588726375.db2.gz IGYBRKNFYVRTKW-AGUYFDCRSA-N 2 1 238.375 1.757 20 0 BDADMP CN(C)c1ccnc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000853232166 588727863 /nfs/dbraw/zinc/72/78/63/588727863.db2.gz UOSDYDNGUISQDX-JTQLQIEISA-N 2 1 247.346 1.191 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239285 588728142 /nfs/dbraw/zinc/72/81/42/588728142.db2.gz DKIUPTFSVDHRDD-GXTWGEPZSA-N 2 1 240.391 1.469 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCCC1 ZINC000854223149 588780121 /nfs/dbraw/zinc/78/01/21/588780121.db2.gz OFYXYTZYALDLLB-NSHDSACASA-N 2 1 234.347 1.648 20 0 BDADMP CN(C)C(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849024387 582829721 /nfs/dbraw/zinc/82/97/21/582829721.db2.gz WDYZCNMGKGZMBV-JTQLQIEISA-N 2 1 226.368 1.193 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCC(=O)O2)CC1 ZINC000851984393 582989226 /nfs/dbraw/zinc/98/92/26/582989226.db2.gz CJTZUZLDFOVZTC-VXGBXAGGSA-N 2 1 240.347 1.108 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCC(=O)O2)CC1 ZINC000851984393 582989227 /nfs/dbraw/zinc/98/92/27/582989227.db2.gz CJTZUZLDFOVZTC-VXGBXAGGSA-N 2 1 240.347 1.108 20 0 BDADMP Cc1cc(N[C@@H](C)C2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000396450355 583082356 /nfs/dbraw/zinc/08/23/56/583082356.db2.gz GFSOZQIKKJSZIS-NSHDSACASA-N 2 1 248.374 1.658 20 0 BDADMP CCCSC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000893605903 583171723 /nfs/dbraw/zinc/17/17/23/583171723.db2.gz LCWTZIWYWHURDO-NEPJUHHUSA-N 2 1 246.420 1.174 20 0 BDADMP CCCSC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000893605903 583171725 /nfs/dbraw/zinc/17/17/25/583171725.db2.gz LCWTZIWYWHURDO-NEPJUHHUSA-N 2 1 246.420 1.174 20 0 BDADMP COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)o1 ZINC000894083867 583295428 /nfs/dbraw/zinc/29/54/28/583295428.db2.gz PUEQTMTWAFLUKF-PHIMTYICSA-N 2 1 236.315 1.282 20 0 BDADMP CC(C)[C@H](O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000878125202 583362189 /nfs/dbraw/zinc/36/21/89/583362189.db2.gz NVLUDHBEVPCPRL-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000878125202 583362190 /nfs/dbraw/zinc/36/21/90/583362190.db2.gz NVLUDHBEVPCPRL-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878125202 583362191 /nfs/dbraw/zinc/36/21/91/583362191.db2.gz NVLUDHBEVPCPRL-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000894456891 583464893 /nfs/dbraw/zinc/46/48/93/583464893.db2.gz RPLLMDKLBSQFHD-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H](C)N1C ZINC000894639856 583498672 /nfs/dbraw/zinc/49/86/72/583498672.db2.gz SQPNQSVDXWZHII-BETUJISGSA-N 2 1 239.407 1.353 20 0 BDADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)CC1 ZINC000894779582 583519779 /nfs/dbraw/zinc/51/97/79/583519779.db2.gz IXGOXVVZAFRKNT-CYBMUJFWSA-N 2 1 248.374 1.573 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895082412 583583645 /nfs/dbraw/zinc/58/36/45/583583645.db2.gz PQBLJEYXRWJSFV-CQSZACIVSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC ZINC000895128348 583600103 /nfs/dbraw/zinc/60/01/03/583600103.db2.gz XIQXXIUDIKMWCS-IJLUTSLNSA-N 2 1 242.363 1.258 20 0 BDADMP C[C@@H]1C[C@@H](NCc2cccnc2F)CC[N@H+]1C ZINC000794836542 583622678 /nfs/dbraw/zinc/62/26/78/583622678.db2.gz QSSAUZIFGSMYNP-PWSUYJOCSA-N 2 1 237.322 1.793 20 0 BDADMP C[C@H](CC[NH2+]Cc1cccc(F)c1N)[NH+](C)C ZINC000895291579 583637197 /nfs/dbraw/zinc/63/71/97/583637197.db2.gz GERSSYCVHKNMCQ-SNVBAGLBSA-N 2 1 239.338 1.838 20 0 BDADMP CC1=NO[C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000895307960 583648223 /nfs/dbraw/zinc/64/82/23/583648223.db2.gz VIZVCDVRBPZUCQ-ZDUSSCGKSA-N 2 1 239.363 1.614 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2CSC2)CC1(C)C ZINC000895423435 583673389 /nfs/dbraw/zinc/67/33/89/583673389.db2.gz JNVPUWXCAMYTOC-NSHDSACASA-N 2 1 228.405 1.812 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000895587296 583694280 /nfs/dbraw/zinc/69/42/80/583694280.db2.gz ODQXEUVDJAYESO-WCQYABFASA-N 2 1 242.363 1.260 20 0 BDADMP C[C@H]1[C@@H](Nc2cc(NC3CC3)ncn2)CC[N@H+]1C ZINC000895736252 583717856 /nfs/dbraw/zinc/71/78/56/583717856.db2.gz IRTFUIIBNHLDBL-ONGXEEELSA-N 2 1 247.346 1.555 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCC[S@@](C)=O)CC1(C)C ZINC000858138765 588934782 /nfs/dbraw/zinc/93/47/82/588934782.db2.gz ARNUAULNWLFQBL-MEDUHNTESA-N 2 1 246.420 1.217 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC[S@@](C)=O)CC1(C)C ZINC000858138765 588934783 /nfs/dbraw/zinc/93/47/83/588934783.db2.gz ARNUAULNWLFQBL-MEDUHNTESA-N 2 1 246.420 1.217 20 0 BDADMP CCO[C@H](C[NH2+]CC1(C(C)C)CC1)C[NH+](C)C ZINC000896879055 583844770 /nfs/dbraw/zinc/84/47/70/583844770.db2.gz YHQYTBZFJWXATQ-CYBMUJFWSA-N 2 1 242.407 1.979 20 0 BDADMP CCO[C@H](C[NH2+]C[C@H]1C[C@H]1C)C[NH+](C)C ZINC000896879715 583844856 /nfs/dbraw/zinc/84/48/56/583844856.db2.gz GHOKFPZWNRJUBL-IJLUTSLNSA-N 2 1 214.353 1.199 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@]2(C)C1 ZINC000897620685 584032259 /nfs/dbraw/zinc/03/22/59/584032259.db2.gz VIROQHVZBJXQJH-OCCSQVGLSA-N 2 1 247.342 1.171 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@]2(C)C1 ZINC000897620685 584032261 /nfs/dbraw/zinc/03/22/61/584032261.db2.gz VIROQHVZBJXQJH-OCCSQVGLSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)C[C@]2(C)C1 ZINC000897620685 584032263 /nfs/dbraw/zinc/03/22/63/584032263.db2.gz VIROQHVZBJXQJH-OCCSQVGLSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)C[C@]2(C)C1 ZINC000897620685 584032265 /nfs/dbraw/zinc/03/22/65/584032265.db2.gz VIROQHVZBJXQJH-OCCSQVGLSA-N 2 1 247.342 1.171 20 0 BDADMP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897818107 584050921 /nfs/dbraw/zinc/05/09/21/584050921.db2.gz FDOGGJZXWWICTD-UQAQGZBZSA-N 2 1 248.370 1.379 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858430336 588953980 /nfs/dbraw/zinc/95/39/80/588953980.db2.gz UCTBLWZKKNBHQM-LBPRGKRZSA-N 2 1 249.358 1.352 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841051028 584124643 /nfs/dbraw/zinc/12/46/43/584124643.db2.gz MVSBVCGOYPJXIA-MRVPVSSYSA-N 2 1 213.712 1.562 20 0 BDADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 ZINC000902407571 584574768 /nfs/dbraw/zinc/57/47/68/584574768.db2.gz QVQAAKHUAJGMOG-MNOVXSKESA-N 2 1 212.337 1.273 20 0 BDADMP NC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000902410655 584576158 /nfs/dbraw/zinc/57/61/58/584576158.db2.gz RTPNPNBDRSRZAE-CYBMUJFWSA-N 2 1 233.359 1.548 20 0 BDADMP [NH3+]CCC[C@@H](NCC1([NH3+])CC1)c1ccccc1 ZINC000902410655 584576159 /nfs/dbraw/zinc/57/61/59/584576159.db2.gz RTPNPNBDRSRZAE-CYBMUJFWSA-N 2 1 233.359 1.548 20 0 BDADMP C[C@@H](CN(C)C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384348 584577184 /nfs/dbraw/zinc/57/71/84/584577184.db2.gz JFAZJSYDJSTLLP-RYUDHWBXSA-N 2 1 227.396 1.304 20 0 BDADMP [NH3+]C1(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000902404927 584588875 /nfs/dbraw/zinc/58/88/75/584588875.db2.gz HBLMOOBBEQRVKD-UHFFFAOYSA-N 2 1 218.291 1.891 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000902416631 584590270 /nfs/dbraw/zinc/59/02/70/584590270.db2.gz VFWVBYZTTRQVCY-SECBINFHSA-N 2 1 234.299 1.557 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437975 584596585 /nfs/dbraw/zinc/59/65/85/584596585.db2.gz LHGJZLRTGTVJGQ-OADPDTJPSA-N 2 1 245.370 1.151 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437973 584596758 /nfs/dbraw/zinc/59/67/58/584596758.db2.gz LHGJZLRTGTVJGQ-JUDXGUMMSA-N 2 1 245.370 1.151 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000902448961 584605654 /nfs/dbraw/zinc/60/56/54/584605654.db2.gz KCZQUMPZARESTF-RWMBFGLXSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1c[nH+]ccc1N ZINC000902453677 584607758 /nfs/dbraw/zinc/60/77/58/584607758.db2.gz PINSUMVXYFPPEG-BLJPMSIGSA-N 2 1 245.326 1.321 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902454402 584608827 /nfs/dbraw/zinc/60/88/27/584608827.db2.gz HKIQPWNXCVHMFL-IEECTRCBSA-N 2 1 208.349 1.905 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902454404 584608958 /nfs/dbraw/zinc/60/89/58/584608958.db2.gz HKIQPWNXCVHMFL-PJSNJIKXSA-N 2 1 208.349 1.905 20 0 BDADMP CCCN1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902490977 584618222 /nfs/dbraw/zinc/61/82/22/584618222.db2.gz ZOYUCDJTEXOJSY-AULYBMBSSA-N 2 1 225.380 1.188 20 0 BDADMP Nc1nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000902503500 584620444 /nfs/dbraw/zinc/62/04/44/584620444.db2.gz YFNWSBFQWNUHNZ-HTQZYQBOSA-N 2 1 226.349 1.085 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000902517114 584630374 /nfs/dbraw/zinc/63/03/74/584630374.db2.gz HDTJPVAZAXGNFE-GHYVTOPFSA-N 2 1 238.375 1.532 20 0 BDADMP CC[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902520845 584631414 /nfs/dbraw/zinc/63/14/14/584631414.db2.gz PMTAZZTUMIZRTA-ZOBORPQBSA-N 2 1 238.375 1.532 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cnc1F ZINC000902572447 584636616 /nfs/dbraw/zinc/63/66/16/584636616.db2.gz VIIRZWYZYJLDFI-SNVBAGLBSA-N 2 1 239.338 1.816 20 0 BDADMP CCn1cc(C[NH2+]C[C@H](C)C[NH+](C)C)c(C)n1 ZINC000902572671 584636852 /nfs/dbraw/zinc/63/68/52/584636852.db2.gz WAICMUIPHRGWOG-NSHDSACASA-N 2 1 238.379 1.499 20 0 BDADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000902622150 584645010 /nfs/dbraw/zinc/64/50/10/584645010.db2.gz ZOKBSALXHZWRJE-UHFFFAOYSA-N 2 1 235.287 1.354 20 0 BDADMP OCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903158494 584731318 /nfs/dbraw/zinc/73/13/18/584731318.db2.gz JBXZJCBGGKNKLF-QXMXGUDHSA-N 2 1 238.375 1.506 20 0 BDADMP O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903184360 584733423 /nfs/dbraw/zinc/73/34/23/584733423.db2.gz WCTGHAIILVOMAI-VALPQFTMSA-N 2 1 236.359 1.257 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000903352081 584755176 /nfs/dbraw/zinc/75/51/76/584755176.db2.gz QNUBIRPFSHOIFK-RDBSUJKOSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000903352081 584755177 /nfs/dbraw/zinc/75/51/77/584755177.db2.gz QNUBIRPFSHOIFK-RDBSUJKOSA-N 2 1 248.374 1.383 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903429991 584761770 /nfs/dbraw/zinc/76/17/70/584761770.db2.gz MPAJXKCDHDRLSW-OLZOCXBDSA-N 2 1 228.380 1.326 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000903440132 584763286 /nfs/dbraw/zinc/76/32/86/584763286.db2.gz UKFRUNREMRYLIA-NEPJUHHUSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903459347 584766089 /nfs/dbraw/zinc/76/60/89/584766089.db2.gz TUDJIGGDEGNWAI-MGPQQGTHSA-N 2 1 240.391 1.922 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOCC3(CCC3)C2)C1 ZINC000903459186 584766166 /nfs/dbraw/zinc/76/61/66/584766166.db2.gz ROXZQUGEUGGYCB-QWHCGFSZSA-N 2 1 238.375 1.616 20 0 BDADMP CN1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C(C)(C)C1 ZINC000903464462 584766630 /nfs/dbraw/zinc/76/66/30/584766630.db2.gz OGKRHIVZPQBTGJ-NEPJUHHUSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000903461189 584766708 /nfs/dbraw/zinc/76/67/08/584766708.db2.gz OWEMMNFNNWDYCU-YIYPIFLZSA-N 3 1 239.407 1.563 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903446081 584769950 /nfs/dbraw/zinc/76/99/50/584769950.db2.gz SQLGJHLPPVPXTC-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP NCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903450118 584771973 /nfs/dbraw/zinc/77/19/73/584771973.db2.gz ZVGSDJJSVWCLJK-CABCVRRESA-N 2 1 247.386 1.575 20 0 BDADMP NCC[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903450118 584771974 /nfs/dbraw/zinc/77/19/74/584771974.db2.gz ZVGSDJJSVWCLJK-CABCVRRESA-N 2 1 247.386 1.575 20 0 BDADMP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903450118 584771976 /nfs/dbraw/zinc/77/19/76/584771976.db2.gz ZVGSDJJSVWCLJK-CABCVRRESA-N 3 1 247.386 1.575 20 0 BDADMP [NH3+]CC[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903450118 584771978 /nfs/dbraw/zinc/77/19/78/584771978.db2.gz ZVGSDJJSVWCLJK-CABCVRRESA-N 3 1 247.386 1.575 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454828 584773418 /nfs/dbraw/zinc/77/34/18/584773418.db2.gz KETUXBGZZKQRQW-KVSVUVNWSA-N 3 1 225.380 1.090 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903454397 584773438 /nfs/dbraw/zinc/77/34/38/584773438.db2.gz BIMBVPSJVNRTKE-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP Cn1cc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000903470338 584774825 /nfs/dbraw/zinc/77/48/25/584774825.db2.gz LENNIBOISZFXLX-ZDUSSCGKSA-N 2 1 248.374 1.227 20 0 BDADMP [NH3+]CCCCCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000903470797 584774900 /nfs/dbraw/zinc/77/49/00/584774900.db2.gz DBMYSDWXMHMPCI-GFCCVEGCSA-N 2 1 225.380 1.380 20 0 BDADMP C[C@@H](F)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471305 584775438 /nfs/dbraw/zinc/77/54/38/584775438.db2.gz IIPNYVSWRLEXAV-ZJUUUORDSA-N 2 1 200.301 1.609 20 0 BDADMP c1cc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)ccn1 ZINC000903471279 584775683 /nfs/dbraw/zinc/77/56/83/584775683.db2.gz HRGRJPQGAXJYOF-CQSZACIVSA-N 2 1 245.370 1.888 20 0 BDADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481724 584778071 /nfs/dbraw/zinc/77/80/71/584778071.db2.gz KVTZAWFSFSKDGB-GFCCVEGCSA-N 2 1 234.347 1.217 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000903482375 584778606 /nfs/dbraw/zinc/77/86/06/584778606.db2.gz FOWDYOQHBSQKMC-POQQGIQPSA-N 2 1 239.407 1.562 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000903482376 584778642 /nfs/dbraw/zinc/77/86/42/584778642.db2.gz FOWDYOQHBSQKMC-XGFWRYKXSA-N 2 1 239.407 1.562 20 0 BDADMP [NH3+][C@@H]1CC[C@H](CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482055 584778680 /nfs/dbraw/zinc/77/86/80/584778680.db2.gz VQISCINCQPUQKM-XQQFMLRXSA-N 2 1 237.391 1.378 20 0 BDADMP FC(F)COCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903482958 584778842 /nfs/dbraw/zinc/77/88/42/584778842.db2.gz AGVPMHZNJXLWHH-JTQLQIEISA-N 2 1 248.317 1.532 20 0 BDADMP CC(C)COCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483043 584778927 /nfs/dbraw/zinc/77/89/27/584778927.db2.gz BTFGWYCAABPUBK-ZDUSSCGKSA-N 2 1 240.391 1.923 20 0 BDADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)ccn1 ZINC000903483108 584779413 /nfs/dbraw/zinc/77/94/13/584779413.db2.gz DKGGHYMVRHNVMW-AWEZNQCLSA-N 2 1 245.370 1.888 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1CC[NH3+] ZINC000903498898 584779939 /nfs/dbraw/zinc/77/99/39/584779939.db2.gz NKVGOZCAGZIOSS-VXGBXAGGSA-N 2 1 248.374 1.246 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000903500366 584780322 /nfs/dbraw/zinc/78/03/22/584780322.db2.gz YVOSBGIFMHXQFI-TZMCWYRMSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@H]1CSCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903708352 584791454 /nfs/dbraw/zinc/79/14/54/584791454.db2.gz RTIZUBIGRMFMBQ-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP OCCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903730456 584792767 /nfs/dbraw/zinc/79/27/67/584792767.db2.gz WMMUVALEQFKUNZ-GFCCVEGCSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903727362 584793225 /nfs/dbraw/zinc/79/32/25/584793225.db2.gz SWBSTAGQSPXHFG-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903752911 584795996 /nfs/dbraw/zinc/79/59/96/584795996.db2.gz PZVQODPPLDHYHU-NWDGAFQWSA-N 2 1 242.363 1.117 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734084 584796281 /nfs/dbraw/zinc/79/62/81/584796281.db2.gz UYLQLMWGOYOFDU-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767924 584797855 /nfs/dbraw/zinc/79/78/55/584797855.db2.gz JNDHCOJBXVXHGQ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCCF)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784223 584800334 /nfs/dbraw/zinc/80/03/34/584800334.db2.gz LXUXCRAZVARDHB-NEPJUHHUSA-N 2 1 230.327 1.046 20 0 BDADMP CC(C)OCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903796290 584800793 /nfs/dbraw/zinc/80/07/93/584800793.db2.gz UVXWPSVPKQXBHI-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903796290 584800794 /nfs/dbraw/zinc/80/07/94/584800794.db2.gz UVXWPSVPKQXBHI-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CSCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903831909 584806332 /nfs/dbraw/zinc/80/63/32/584806332.db2.gz NPDDZIPPWNGBTP-UTUOFQBUSA-N 2 1 228.405 1.941 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903843356 584807476 /nfs/dbraw/zinc/80/74/76/584807476.db2.gz JHKZCCAJYBOERI-RQJABVFESA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOCC(F)F)C2 ZINC000903843736 584807536 /nfs/dbraw/zinc/80/75/36/584807536.db2.gz RMRKDELNBZCHFJ-AEJSXWLSSA-N 2 1 234.290 1.080 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@@H+]2Cc1cccc(N)c1 ZINC000903856062 584808648 /nfs/dbraw/zinc/80/86/48/584808648.db2.gz PMSSJUBCQFMLAI-TZMCWYRMSA-N 2 1 231.343 1.582 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2Cc1cccc(N)c1 ZINC000903856062 584808650 /nfs/dbraw/zinc/80/86/50/584808650.db2.gz PMSSJUBCQFMLAI-TZMCWYRMSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903856062 584808652 /nfs/dbraw/zinc/80/86/52/584808652.db2.gz PMSSJUBCQFMLAI-TZMCWYRMSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903856062 584808654 /nfs/dbraw/zinc/80/86/54/584808654.db2.gz PMSSJUBCQFMLAI-TZMCWYRMSA-N 2 1 231.343 1.582 20 0 BDADMP COCCCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855292 584809197 /nfs/dbraw/zinc/80/91/97/584809197.db2.gz MJNAPBMVCDNBJU-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855292 584809198 /nfs/dbraw/zinc/80/91/98/584809198.db2.gz MJNAPBMVCDNBJU-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903855500 584809541 /nfs/dbraw/zinc/80/95/41/584809541.db2.gz OOWMRUMRGMEZTH-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903855500 584809542 /nfs/dbraw/zinc/80/95/42/584809542.db2.gz OOWMRUMRGMEZTH-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855500 584809543 /nfs/dbraw/zinc/80/95/43/584809543.db2.gz OOWMRUMRGMEZTH-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855500 584809544 /nfs/dbraw/zinc/80/95/44/584809544.db2.gz OOWMRUMRGMEZTH-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000903857943 584810130 /nfs/dbraw/zinc/81/01/30/584810130.db2.gz GXKZYHDUBMWFCZ-BFHYXJOUSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000903857943 584810131 /nfs/dbraw/zinc/81/01/31/584810131.db2.gz GXKZYHDUBMWFCZ-BFHYXJOUSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000903857943 584810132 /nfs/dbraw/zinc/81/01/32/584810132.db2.gz GXKZYHDUBMWFCZ-BFHYXJOUSA-N 3 1 237.391 1.189 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1CC1 ZINC000903870679 584814740 /nfs/dbraw/zinc/81/47/40/584814740.db2.gz PGTLPYJAQDNQPE-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CC1 ZINC000903870679 584814742 /nfs/dbraw/zinc/81/47/42/584814742.db2.gz PGTLPYJAQDNQPE-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@H]([NH3+])CC(F)F ZINC000903878998 584816505 /nfs/dbraw/zinc/81/65/05/584816505.db2.gz PEZYZDVKNBBCRR-SNVBAGLBSA-N 2 1 238.322 1.453 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000903881203 584817621 /nfs/dbraw/zinc/81/76/21/584817621.db2.gz GJJBHBHUEVLVHT-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]CCC[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000903881203 584817622 /nfs/dbraw/zinc/81/76/22/584817622.db2.gz GJJBHBHUEVLVHT-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000903886288 584819246 /nfs/dbraw/zinc/81/92/46/584819246.db2.gz OOCXCNQSYKFLHI-GFCCVEGCSA-N 2 1 249.362 1.044 20 0 BDADMP C[N@@H+](CCCCCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909874 584821549 /nfs/dbraw/zinc/82/15/49/584821549.db2.gz HMBRBJRHWUUBOK-AGUYFDCRSA-N 2 1 240.391 1.611 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000903909610 584821940 /nfs/dbraw/zinc/82/19/40/584821940.db2.gz GJMSMSPGLFRCLH-HBNTYKKESA-N 2 1 248.317 1.327 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000903909610 584821942 /nfs/dbraw/zinc/82/19/42/584821942.db2.gz GJMSMSPGLFRCLH-HBNTYKKESA-N 2 1 248.317 1.327 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC[C@H]([NH3+])CC(F)F ZINC000903923143 584823911 /nfs/dbraw/zinc/82/39/11/584823911.db2.gz MNHOASYSHNPUSF-GHMZBOCLSA-N 2 1 249.349 1.433 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934016 584825339 /nfs/dbraw/zinc/82/53/39/584825339.db2.gz YWCVWBGVZOPFFJ-SCXOTVEISA-N 2 1 249.402 1.330 20 0 BDADMP N[C@@]12CCC[C@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934016 584825341 /nfs/dbraw/zinc/82/53/41/584825341.db2.gz YWCVWBGVZOPFFJ-SCXOTVEISA-N 2 1 249.402 1.330 20 0 BDADMP N[C@@]12CCC[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903934016 584825343 /nfs/dbraw/zinc/82/53/43/584825343.db2.gz YWCVWBGVZOPFFJ-SCXOTVEISA-N 2 1 249.402 1.330 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903917511 584826992 /nfs/dbraw/zinc/82/69/92/584826992.db2.gz MRRUIEKDENGWHE-JALIKCBVSA-N 3 1 249.402 1.202 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917485 584827234 /nfs/dbraw/zinc/82/72/34/584827234.db2.gz MGYKLTRFZDTFHM-WTUNAVPPSA-N 3 1 239.407 1.624 20 0 BDADMP Cn1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903958003 584827608 /nfs/dbraw/zinc/82/76/08/584827608.db2.gz VNXFJPOBJVVWFZ-LLVKDONJSA-N 2 1 243.301 1.360 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]1 ZINC000903953698 584831191 /nfs/dbraw/zinc/83/11/91/584831191.db2.gz JEPSASZRNGYPIY-VJTDZRGJSA-N 2 1 238.375 1.077 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903953341 584831412 /nfs/dbraw/zinc/83/14/12/584831412.db2.gz DCEKGCSXGSXFRI-RDBSUJKOSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978389 584833089 /nfs/dbraw/zinc/83/30/89/584833089.db2.gz NWMJOWMCCRYVBZ-UPJWGTAASA-N 3 1 227.396 1.277 20 0 BDADMP CC(C)C[C@H](N)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978389 584833090 /nfs/dbraw/zinc/83/30/90/584833090.db2.gz NWMJOWMCCRYVBZ-UPJWGTAASA-N 2 1 227.396 1.277 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978389 584833091 /nfs/dbraw/zinc/83/30/91/584833091.db2.gz NWMJOWMCCRYVBZ-UPJWGTAASA-N 2 1 227.396 1.277 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)C[C@H]1CC[NH3+] ZINC000903977278 584833238 /nfs/dbraw/zinc/83/32/38/584833238.db2.gz NVOFVJRXGFYBKY-ZYHUDNBSSA-N 2 1 234.347 1.081 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC000903964319 584834041 /nfs/dbraw/zinc/83/40/41/584834041.db2.gz JJLVAWCQQDKDHL-NEPJUHHUSA-N 2 1 219.332 1.335 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](N)C(C)(C)C2)CC[NH2+]1 ZINC000903987035 584835360 /nfs/dbraw/zinc/83/53/60/584835360.db2.gz XBBQLRXBOXQKLX-UTUOFQBUSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@H]([NH3+])C(C)(C)C2)CC[NH2+]1 ZINC000903987035 584835361 /nfs/dbraw/zinc/83/53/61/584835361.db2.gz XBBQLRXBOXQKLX-UTUOFQBUSA-N 2 1 225.380 1.044 20 0 BDADMP CC[N@H+](CCO)C[C@H]([NH3+])CCC(C)(C)C ZINC000904302471 584861703 /nfs/dbraw/zinc/86/17/03/584861703.db2.gz UQKDQFHOJLDLEQ-LLVKDONJSA-N 2 1 216.369 1.454 20 0 BDADMP CC[N@@H+](CCO)C[C@H]([NH3+])CCC(C)(C)C ZINC000904302471 584861705 /nfs/dbraw/zinc/86/17/05/584861705.db2.gz UQKDQFHOJLDLEQ-LLVKDONJSA-N 2 1 216.369 1.454 20 0 BDADMP CNC(=O)CC[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904316361 584862138 /nfs/dbraw/zinc/86/21/38/584862138.db2.gz MZLRXZXXTUCGKR-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP CNC(=O)CC[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904316361 584862139 /nfs/dbraw/zinc/86/21/39/584862139.db2.gz MZLRXZXXTUCGKR-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1CO ZINC000904312034 584862487 /nfs/dbraw/zinc/86/24/87/584862487.db2.gz DRTJHBLPIGXIJA-VXGBXAGGSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1CO ZINC000904312034 584862489 /nfs/dbraw/zinc/86/24/89/584862489.db2.gz DRTJHBLPIGXIJA-VXGBXAGGSA-N 2 1 228.380 1.597 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904311818 584862679 /nfs/dbraw/zinc/86/26/79/584862679.db2.gz HTQVNNHHQXBCQO-WCQYABFASA-N 2 1 242.363 1.117 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCCO)Cc2ccccc2)C1 ZINC000904316132 584863197 /nfs/dbraw/zinc/86/31/97/584863197.db2.gz LAFADKBFHCNFLM-GASCZTMLSA-N 2 1 248.370 1.608 20 0 BDADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)on1 ZINC000904312747 584863283 /nfs/dbraw/zinc/86/32/83/584863283.db2.gz SDDKBMSEIBGLLG-TUAOUCFPSA-N 2 1 235.331 1.857 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904313679 584863516 /nfs/dbraw/zinc/86/35/16/584863516.db2.gz XUHYEHRWJJYSLD-BETUJISGSA-N 3 1 239.407 1.530 20 0 BDADMP CCCN1CCC([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904313679 584863517 /nfs/dbraw/zinc/86/35/17/584863517.db2.gz XUHYEHRWJJYSLD-BETUJISGSA-N 2 1 239.407 1.530 20 0 BDADMP CCCN1CCC([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904313679 584863518 /nfs/dbraw/zinc/86/35/18/584863518.db2.gz XUHYEHRWJJYSLD-BETUJISGSA-N 2 1 239.407 1.530 20 0 BDADMP COc1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000904314243 584863617 /nfs/dbraw/zinc/86/36/17/584863617.db2.gz UUYISZORWZUQOD-VDISTLRHSA-N 2 1 246.354 1.791 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+](CCCO)C1CC1 ZINC000904320563 584864054 /nfs/dbraw/zinc/86/40/54/584864054.db2.gz LGHZZIGNASPZBC-GFCCVEGCSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+](CCCO)C1CC1 ZINC000904320563 584864056 /nfs/dbraw/zinc/86/40/56/584864056.db2.gz LGHZZIGNASPZBC-GFCCVEGCSA-N 2 1 242.407 1.987 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](CCO)c1ccccc1 ZINC000904321909 584864660 /nfs/dbraw/zinc/86/46/60/584864660.db2.gz KBRLBHAGMOGITJ-VHDGCEQUSA-N 2 1 248.370 1.779 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325403 584865196 /nfs/dbraw/zinc/86/51/96/584865196.db2.gz YIIUDHTVBKULKM-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325403 584865197 /nfs/dbraw/zinc/86/51/97/584865197.db2.gz YIIUDHTVBKULKM-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325403 584865198 /nfs/dbraw/zinc/86/51/98/584865198.db2.gz YIIUDHTVBKULKM-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327103 584865567 /nfs/dbraw/zinc/86/55/67/584865567.db2.gz YZEJFMLLWVVJSW-NTZNESFSSA-N 2 1 248.374 1.467 20 0 BDADMP C[C@H](O)[C@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904331753 584865774 /nfs/dbraw/zinc/86/57/74/584865774.db2.gz LHPOSULYCINRKK-RWMBFGLXSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904331753 584865776 /nfs/dbraw/zinc/86/57/76/584865776.db2.gz LHPOSULYCINRKK-RWMBFGLXSA-N 2 1 242.407 1.843 20 0 BDADMP COC(=O)[C@H]1CCCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332884 584866153 /nfs/dbraw/zinc/86/61/53/584866153.db2.gz SHRMZEMWSFAMRM-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP C[N@@H+](CCCCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904341968 584867005 /nfs/dbraw/zinc/86/70/05/584867005.db2.gz SMGIUPXAIJPWCD-ZDUSSCGKSA-N 2 1 228.380 1.471 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@H]1O ZINC000904341481 584867542 /nfs/dbraw/zinc/86/75/42/584867542.db2.gz RWKLUHKDQLUERY-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP [NH3+][C@H]1C[C@@H](CNCC[NH2+]C2CCCCCC2)C1 ZINC000904349653 584868725 /nfs/dbraw/zinc/86/87/25/584868725.db2.gz CFYXUIZFGQJDKK-BETUJISGSA-N 2 1 239.407 1.626 20 0 BDADMP CC(C)(C)CC[C@@H](N)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000904353592 584869721 /nfs/dbraw/zinc/86/97/21/584869721.db2.gz OFPKNLNJYLVEDQ-QWHCGFSZSA-N 2 1 241.423 1.729 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C1(CO)CC1 ZINC000904361206 584872052 /nfs/dbraw/zinc/87/20/52/584872052.db2.gz XZUBVRFEMRGWDH-SNVBAGLBSA-N 2 1 214.353 1.255 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904376504 584876367 /nfs/dbraw/zinc/87/63/67/584876367.db2.gz UVNDMPQARZSZDY-FZMZJTMJSA-N 3 1 233.359 1.457 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(C[NH3+])cc1 ZINC000904376504 584876369 /nfs/dbraw/zinc/87/63/69/584876369.db2.gz UVNDMPQARZSZDY-FZMZJTMJSA-N 2 1 233.359 1.457 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2ccc(N)nn2)[C@@H]1CC[NH3+] ZINC000904376925 584876433 /nfs/dbraw/zinc/87/64/33/584876433.db2.gz ZBSZQGAZYFCWLA-ZYHUDNBSSA-N 2 1 249.362 1.008 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(N)nn2)[C@@H]1CC[NH3+] ZINC000904376925 584876434 /nfs/dbraw/zinc/87/64/34/584876434.db2.gz ZBSZQGAZYFCWLA-ZYHUDNBSSA-N 2 1 249.362 1.008 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000904380153 584876803 /nfs/dbraw/zinc/87/68/03/584876803.db2.gz JIZUDONORIAXLR-CABCVRRESA-N 3 1 245.370 1.459 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000904380153 584876804 /nfs/dbraw/zinc/87/68/04/584876804.db2.gz JIZUDONORIAXLR-CABCVRRESA-N 3 1 245.370 1.459 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC000904384704 584877536 /nfs/dbraw/zinc/87/75/36/584877536.db2.gz MQQRVNVDDPNACE-LSDHHAIUSA-N 3 1 245.370 1.187 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1CN(Cc1ccc(C[NH3+])cc1)C2 ZINC000904384704 584877537 /nfs/dbraw/zinc/87/75/37/584877537.db2.gz MQQRVNVDDPNACE-LSDHHAIUSA-N 2 1 245.370 1.187 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(N)nn1 ZINC000904383836 584877550 /nfs/dbraw/zinc/87/75/50/584877550.db2.gz FNWUVPWLTWFLQI-UHFFFAOYSA-N 2 1 237.351 1.010 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3CSC[C@H]3C2)C1 ZINC000904385233 584877880 /nfs/dbraw/zinc/87/78/80/584877880.db2.gz VQDGRUBBFHWAKV-NNYUYHANSA-N 2 1 226.389 1.409 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(F)CC2)CC[C@H]1C[NH3+] ZINC000904409746 584878993 /nfs/dbraw/zinc/87/89/93/584878993.db2.gz HMDWKTTZKSMIMH-ZJUUUORDSA-N 2 1 200.301 1.405 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@H]1C[NH3+] ZINC000904410927 584879091 /nfs/dbraw/zinc/87/90/91/584879091.db2.gz RSKDDXOKMPUQJV-WOPDTQHZSA-N 2 1 228.405 1.656 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000904412927 584879994 /nfs/dbraw/zinc/87/99/94/584879994.db2.gz ZKDVZUGUQGZCPL-CMPLNLGQSA-N 2 1 249.358 1.512 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420509 584882156 /nfs/dbraw/zinc/88/21/56/584882156.db2.gz RBEIZCVXEMCOCY-SDDRHHMPSA-N 2 1 226.389 1.281 20 0 BDADMP CC(C)[C@H](C[NH+](C)C)NC(=O)C[N@@H+](C)C(C)C ZINC000733163712 584943861 /nfs/dbraw/zinc/94/38/61/584943861.db2.gz HGYRTOGXVNSISL-LBPRGKRZSA-N 2 1 243.395 1.029 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1C ZINC000156301388 585021816 /nfs/dbraw/zinc/02/18/16/585021816.db2.gz VQDYKPIHOHQMRG-RYUDHWBXSA-N 2 1 226.364 1.364 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361674982 585025139 /nfs/dbraw/zinc/02/51/39/585025139.db2.gz JBCWAYDKFXECLB-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000361674982 585025140 /nfs/dbraw/zinc/02/51/40/585025140.db2.gz JBCWAYDKFXECLB-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361674982 585025141 /nfs/dbraw/zinc/02/51/41/585025141.db2.gz JBCWAYDKFXECLB-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H](CCO)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000840810132 585048798 /nfs/dbraw/zinc/04/87/98/585048798.db2.gz QIVCZJHYZGMNOD-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886839582 585182843 /nfs/dbraw/zinc/18/28/43/585182843.db2.gz HWYKUZDCSAPKRT-AVGNSLFASA-N 2 1 240.391 1.907 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCO)CC[N@@H+]1C ZINC000750185878 585211794 /nfs/dbraw/zinc/21/17/94/585211794.db2.gz UEDCAOYBAVVNSU-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCO)CC[N@H+]1C ZINC000750185878 585211795 /nfs/dbraw/zinc/21/17/95/585211795.db2.gz UEDCAOYBAVVNSU-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCCO)CC[NH+]1C ZINC000750185878 585211796 /nfs/dbraw/zinc/21/17/96/585211796.db2.gz UEDCAOYBAVVNSU-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCCO)CC[NH+]1C ZINC000750185878 585211797 /nfs/dbraw/zinc/21/17/97/585211797.db2.gz UEDCAOYBAVVNSU-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CCC([NH2+]CC2(C)OCCCO2)CC1 ZINC000754123799 585279160 /nfs/dbraw/zinc/27/91/60/585279160.db2.gz QEZBMXOKXQMKCR-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP C[C@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762651629 585434805 /nfs/dbraw/zinc/43/48/05/585434805.db2.gz USADNUZLKFRKJI-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762651629 585434806 /nfs/dbraw/zinc/43/48/06/585434806.db2.gz USADNUZLKFRKJI-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000765850318 585493241 /nfs/dbraw/zinc/49/32/41/585493241.db2.gz XGQKDQBEUNYYLI-ZFWWWQNUSA-N 2 1 248.370 1.494 20 0 BDADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCO)cc1 ZINC000768136700 585532865 /nfs/dbraw/zinc/53/28/65/585532865.db2.gz CDDQEFIIELTBBO-UHFFFAOYSA-N 2 1 222.332 1.172 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000770510866 585575302 /nfs/dbraw/zinc/57/53/02/585575302.db2.gz SWXQFLZQFRUDTM-GFCCVEGCSA-N 2 1 212.337 1.049 20 0 BDADMP CN(CC[N@@H+](C)C1CC1)CC[NH+]1CCCC1 ZINC000770684283 585579782 /nfs/dbraw/zinc/57/97/82/585579782.db2.gz BIDXYLXNVDTEJJ-UHFFFAOYSA-N 2 1 225.380 1.108 20 0 BDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[NH+]1CCCC1 ZINC000771458167 585594763 /nfs/dbraw/zinc/59/47/63/585594763.db2.gz CZBPWWOVAGVOTF-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(F)nc1 ZINC000778162530 585726570 /nfs/dbraw/zinc/72/65/70/585726570.db2.gz UFVJJWXTFMBLOY-UHFFFAOYSA-N 2 1 234.278 1.515 20 0 BDADMP C[C@@H](CCO)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000779341161 585751675 /nfs/dbraw/zinc/75/16/75/585751675.db2.gz MLAJPKWETLIMAZ-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H](CCO)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000779341161 585751676 /nfs/dbraw/zinc/75/16/76/585751676.db2.gz MLAJPKWETLIMAZ-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000779341542 585751678 /nfs/dbraw/zinc/75/16/78/585751678.db2.gz NULNTXFFBGHIOB-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000779341542 585751679 /nfs/dbraw/zinc/75/16/79/585751679.db2.gz NULNTXFFBGHIOB-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCO ZINC000779340600 585751891 /nfs/dbraw/zinc/75/18/91/585751891.db2.gz LHRWTMJUOGZSIT-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCO ZINC000779340600 585751892 /nfs/dbraw/zinc/75/18/92/585751892.db2.gz LHRWTMJUOGZSIT-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H](CCO)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000779343363 585752201 /nfs/dbraw/zinc/75/22/01/585752201.db2.gz XGYDQHYVDNQNKY-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000786672046 585896012 /nfs/dbraw/zinc/89/60/12/585896012.db2.gz RVUQXILMKZSCQA-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000786672046 585896013 /nfs/dbraw/zinc/89/60/13/585896013.db2.gz RVUQXILMKZSCQA-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000788489124 585925579 /nfs/dbraw/zinc/92/55/79/585925579.db2.gz VOHDITQIOJLIKC-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)n(C)n1 ZINC000793549488 586022851 /nfs/dbraw/zinc/02/28/51/586022851.db2.gz XMBWCYXNNYVZMD-GFCCVEGCSA-N 2 1 248.374 1.641 20 0 BDADMP CC[N@H+]1CCN(CC[NH+]2CCCC2)[C@H](C)C1 ZINC000796315631 586100391 /nfs/dbraw/zinc/10/03/91/586100391.db2.gz JFPUIZOMZSVTHD-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C[N@H+]1CC[C@H](NCc2ccon2)[C@@H]2CCC[C@@H]21 ZINC000796788363 586112617 /nfs/dbraw/zinc/11/26/17/586112617.db2.gz JLSZVDOMDRRHCI-AVGNSLFASA-N 2 1 235.331 1.637 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000799302912 586170084 /nfs/dbraw/zinc/17/00/84/586170084.db2.gz BQQRLVDZLLNOBY-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817893026 586834347 /nfs/dbraw/zinc/83/43/47/586834347.db2.gz BNECAQXPKCMWPX-QLFBSQMISA-N 2 1 248.370 1.840 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817903827 586836683 /nfs/dbraw/zinc/83/66/83/586836683.db2.gz LZMLTKUWLRVBCK-UPJWGTAASA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817904056 586837130 /nfs/dbraw/zinc/83/71/30/586837130.db2.gz RPHYTTOCQHNENA-TUAOUCFPSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000817911442 586838250 /nfs/dbraw/zinc/83/82/50/586838250.db2.gz AMHFYNNTPZYVRA-NWANDNLSSA-N 2 1 248.370 1.624 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)N1CCCCC1 ZINC000817913897 586838940 /nfs/dbraw/zinc/83/89/40/586838940.db2.gz PZCPYQDQJCSTOA-XQQFMLRXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000817918921 586840775 /nfs/dbraw/zinc/84/07/75/586840775.db2.gz ZPKDKAWMARJEMY-JQWIXIFHSA-N 2 1 237.322 1.698 20 0 BDADMP CCc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817928928 586842663 /nfs/dbraw/zinc/84/26/63/586842663.db2.gz IJZXWWPKRMZZBP-QLFBSQMISA-N 2 1 248.370 1.752 20 0 BDADMP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000817949630 586847184 /nfs/dbraw/zinc/84/71/84/586847184.db2.gz LCQKKHUJDAVYSL-FRRDWIJNSA-N 2 1 208.349 1.907 20 0 BDADMP COC(C)(C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000820796798 587072653 /nfs/dbraw/zinc/07/26/53/587072653.db2.gz VAQFXALPMJGQOY-UHFFFAOYSA-N 2 1 228.380 1.685 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000821401976 587116966 /nfs/dbraw/zinc/11/69/66/587116966.db2.gz JXJHIECFRBYICY-JHJVBQTASA-N 2 1 226.364 1.437 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000830028103 587532501 /nfs/dbraw/zinc/53/25/01/587532501.db2.gz DZMQGRGYRWLYAV-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000830028103 587532502 /nfs/dbraw/zinc/53/25/02/587532502.db2.gz DZMQGRGYRWLYAV-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000830028103 587532503 /nfs/dbraw/zinc/53/25/03/587532503.db2.gz DZMQGRGYRWLYAV-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000832565346 587667257 /nfs/dbraw/zinc/66/72/57/587667257.db2.gz NLUSSDRGRFKCIG-LBPRGKRZSA-N 2 1 243.395 1.352 20 0 BDADMP C[C@H](CCO)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000834910919 587770186 /nfs/dbraw/zinc/77/01/86/587770186.db2.gz QOUKVBDCVXSKSW-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@H](CCO)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000834910919 587770187 /nfs/dbraw/zinc/77/01/87/587770187.db2.gz QOUKVBDCVXSKSW-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP COc1c(C)cc(C[NH2+][C@H](C)C[NH3+])cc1C ZINC000841059421 587935769 /nfs/dbraw/zinc/93/57/69/587935769.db2.gz CMZITINCHRAHNS-LLVKDONJSA-N 2 1 222.332 1.749 20 0 BDADMP C[C@@H]([NH3+])CCNc1nc(N2CCCC2)cc[nH+]1 ZINC000842272380 588010570 /nfs/dbraw/zinc/01/05/70/588010570.db2.gz BOMJQXNRZKBFCZ-SNVBAGLBSA-N 2 1 235.335 1.226 20 0 BDADMP FCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474683 588028292 /nfs/dbraw/zinc/02/82/92/588028292.db2.gz WTGCPDJYVPEPFN-WDEREUQCSA-N 2 1 200.301 1.420 20 0 BDADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)nc1 ZINC000843047781 588076021 /nfs/dbraw/zinc/07/60/21/588076021.db2.gz USJPZJLNXRWWPX-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)nc1 ZINC000843047781 588076023 /nfs/dbraw/zinc/07/60/23/588076023.db2.gz USJPZJLNXRWWPX-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP c1ccc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113925 588082307 /nfs/dbraw/zinc/08/23/07/588082307.db2.gz BOCOUEUZNCGUQY-KGLIPLIRSA-N 2 1 245.370 1.871 20 0 BDADMP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000843129231 588082840 /nfs/dbraw/zinc/08/28/40/588082840.db2.gz ODOVNQMOPQKLCE-YUMQZZPRSA-N 2 1 244.770 1.597 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843343710 588101583 /nfs/dbraw/zinc/10/15/83/588101583.db2.gz FSOPBGDOCSKRHH-VXGBXAGGSA-N 3 1 213.369 1.093 20 0 BDADMP [NH3+]CCCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000843344369 588102210 /nfs/dbraw/zinc/10/22/10/588102210.db2.gz XSVLBNYEHKYXCR-UHFFFAOYSA-N 3 1 239.407 1.722 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220895 588261001 /nfs/dbraw/zinc/26/10/01/588261001.db2.gz XPTUDANFQFTLSA-NEPJUHHUSA-N 3 1 213.369 1.175 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCC[NH3+])C1 ZINC000846220870 588261179 /nfs/dbraw/zinc/26/11/79/588261179.db2.gz WWOIXXHTJAPBQS-AWEZNQCLSA-N 2 1 241.423 1.779 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220870 588261180 /nfs/dbraw/zinc/26/11/80/588261180.db2.gz WWOIXXHTJAPBQS-AWEZNQCLSA-N 2 1 241.423 1.779 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220870 588261181 /nfs/dbraw/zinc/26/11/81/588261181.db2.gz WWOIXXHTJAPBQS-AWEZNQCLSA-N 2 1 241.423 1.779 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCCCC[NH3+] ZINC000846220502 588261294 /nfs/dbraw/zinc/26/12/94/588261294.db2.gz RLARHIFASYOUIX-NWDGAFQWSA-N 2 1 213.369 1.175 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCCC[NH3+] ZINC000846708850 588283686 /nfs/dbraw/zinc/28/36/86/588283686.db2.gz WJTOGKXSMYJXMM-NEPJUHHUSA-N 3 1 213.369 1.317 20 0 BDADMP CN(C)C(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000848981699 588424109 /nfs/dbraw/zinc/42/41/09/588424109.db2.gz UEHDZLAVPBYQSF-ZDUSSCGKSA-N 2 1 248.374 1.245 20 0 BDADMP C[C@@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000848986954 588425766 /nfs/dbraw/zinc/42/57/66/588425766.db2.gz BREVXVCFWDEHMO-NEPJUHHUSA-N 2 1 238.379 1.337 20 0 BDADMP CC(C)CCNC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996641 588429530 /nfs/dbraw/zinc/42/95/30/588429530.db2.gz MBSDNHIGZSYIQE-SNVBAGLBSA-N 2 1 214.357 1.097 20 0 BDADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])NCC2CCC2)C1 ZINC000849004215 588431525 /nfs/dbraw/zinc/43/15/25/588431525.db2.gz HXQSAAFKEMYFFB-LLVKDONJSA-N 2 1 238.379 1.242 20 0 BDADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])NC2CCCC2)C1 ZINC000849004392 588431676 /nfs/dbraw/zinc/43/16/76/588431676.db2.gz OPBBWVSETMWOOO-NSHDSACASA-N 2 1 238.379 1.385 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])NC1CCC1 ZINC000849004241 588431753 /nfs/dbraw/zinc/43/17/53/588431753.db2.gz CQCZFHDZVHHTAV-UHFFFAOYSA-N 2 1 226.368 1.385 20 0 BDADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NC(C)C ZINC000849009692 588434389 /nfs/dbraw/zinc/43/43/89/588434389.db2.gz XVZFZSNCKLZQTO-UHFFFAOYSA-N 2 1 237.351 1.494 20 0 BDADMP CCCNC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000849023159 588439515 /nfs/dbraw/zinc/43/95/15/588439515.db2.gz RHUGCOWIJJHYGX-UHFFFAOYSA-N 2 1 240.395 1.632 20 0 BDADMP CCCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000849023191 588439653 /nfs/dbraw/zinc/43/96/53/588439653.db2.gz WIGMHMBGEZFOCZ-GFCCVEGCSA-N 2 1 238.379 1.527 20 0 BDADMP CCCNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041526 588448019 /nfs/dbraw/zinc/44/80/19/588448019.db2.gz RPQPUPDBTZEYDJ-LLVKDONJSA-N 2 1 226.368 1.242 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000849047445 588450866 /nfs/dbraw/zinc/45/08/66/588450866.db2.gz WIPKNXPPFQCJTK-UHFFFAOYSA-N 2 1 226.368 1.241 20 0 BDADMP COC(CC[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000851837961 588634090 /nfs/dbraw/zinc/63/40/90/588634090.db2.gz ARAPGEWDOYABCZ-UHFFFAOYSA-N 2 1 244.379 1.458 20 0 BDADMP COC(CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000851985738 588651823 /nfs/dbraw/zinc/65/18/23/588651823.db2.gz PWUQZFXLDXAQPZ-GFCCVEGCSA-N 2 1 244.379 1.412 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC12CCC2 ZINC000851990828 588653113 /nfs/dbraw/zinc/65/31/13/588653113.db2.gz XFBQWPYQXVXVFL-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC12CCC2 ZINC000851990828 588653114 /nfs/dbraw/zinc/65/31/14/588653114.db2.gz XFBQWPYQXVXVFL-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC12CCC2 ZINC000851990828 588653115 /nfs/dbraw/zinc/65/31/15/588653115.db2.gz XFBQWPYQXVXVFL-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)C1CC1)C2 ZINC000852107449 588664110 /nfs/dbraw/zinc/66/41/10/588664110.db2.gz LLNVHQWJLKBRTB-KGLIPLIRSA-N 2 1 238.375 1.175 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C1CCC1 ZINC000852743875 588698013 /nfs/dbraw/zinc/69/80/13/588698013.db2.gz MRJRCHCWRVDIOA-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP Cc1nnc([C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)[nH]1 ZINC000852746175 588698758 /nfs/dbraw/zinc/69/87/58/588698758.db2.gz FNRZUXQUISQKIT-SNVBAGLBSA-N 2 1 249.362 1.250 20 0 BDADMP FC(F)OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852748100 588699473 /nfs/dbraw/zinc/69/94/73/588699473.db2.gz JHYJLTODOSRTMK-LLVKDONJSA-N 2 1 234.290 1.301 20 0 BDADMP FC(F)OCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852748100 588699474 /nfs/dbraw/zinc/69/94/74/588699474.db2.gz JHYJLTODOSRTMK-LLVKDONJSA-N 2 1 234.290 1.301 20 0 BDADMP Cn1c[nH+]cc1CCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750890 588700260 /nfs/dbraw/zinc/70/02/60/588700260.db2.gz IQBJPAZTBSYYFX-AWEZNQCLSA-N 2 1 248.374 1.181 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000852758855 588700440 /nfs/dbraw/zinc/70/04/40/588700440.db2.gz FUOGWAWVKDTPQM-OLZOCXBDSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C[NH2+]1 ZINC000863546217 589295992 /nfs/dbraw/zinc/29/59/92/589295992.db2.gz JZOCDUFOCCFXOM-MGAJPHDKSA-N 2 1 208.349 1.905 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000863539547 589296413 /nfs/dbraw/zinc/29/64/13/589296413.db2.gz DZXXVLIUFHQNGS-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP COc1ccccc1CCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863568943 589299798 /nfs/dbraw/zinc/29/97/98/589299798.db2.gz PXIGTUATLULYNZ-GFCCVEGCSA-N 2 1 236.359 1.907 20 0 BDADMP COc1ccccc1CCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863568943 589299799 /nfs/dbraw/zinc/29/97/99/589299799.db2.gz PXIGTUATLULYNZ-GFCCVEGCSA-N 2 1 236.359 1.907 20 0 BDADMP Cc1c[nH+]cn1Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000863654752 589308305 /nfs/dbraw/zinc/30/83/05/589308305.db2.gz MWBRXGYMSYXPNC-SNVBAGLBSA-N 2 1 247.302 1.090 20 0 BDADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000864451708 589365047 /nfs/dbraw/zinc/36/50/47/589365047.db2.gz DVJDWQLAWKBXGC-GRYCIOLGSA-N 2 1 238.379 1.383 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NCCC1CC1)C1CC1 ZINC000864456223 589366859 /nfs/dbraw/zinc/36/68/59/589366859.db2.gz DXBPOZLLQIENEI-UHFFFAOYSA-N 2 1 238.379 1.385 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864457116 589367208 /nfs/dbraw/zinc/36/72/08/589367208.db2.gz PBJLVKUSOYVWMI-QWRGUYRKSA-N 2 1 226.368 1.241 20 0 BDADMP CC[C@@H]1CCN(C(=[NH2+])NCC[N@@H+](C)C(C)C)C1 ZINC000864456699 589367417 /nfs/dbraw/zinc/36/74/17/589367417.db2.gz KAVCYPVGOCEFKS-GFCCVEGCSA-N 2 1 240.395 1.583 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864468181 589372302 /nfs/dbraw/zinc/37/23/02/589372302.db2.gz GOWLVNFYNZUXDC-GRYCIOLGSA-N 2 1 238.379 1.383 20 0 BDADMP CC1(C)CCNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000866696932 589512541 /nfs/dbraw/zinc/51/25/41/589512541.db2.gz CUPMEGVMJLYLAY-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)CC[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000866696932 589512542 /nfs/dbraw/zinc/51/25/42/589512542.db2.gz CUPMEGVMJLYLAY-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867998576 589543122 /nfs/dbraw/zinc/54/31/22/589543122.db2.gz DKLMZWBJSKRJBS-ZWNOBZJWSA-N 2 1 247.342 1.027 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867998576 589543123 /nfs/dbraw/zinc/54/31/23/589543123.db2.gz DKLMZWBJSKRJBS-ZWNOBZJWSA-N 2 1 247.342 1.027 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000872127267 589876774 /nfs/dbraw/zinc/87/67/74/589876774.db2.gz RXUAAMCHMLWNBN-POQQGIQPSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000872141321 589881624 /nfs/dbraw/zinc/88/16/24/589881624.db2.gz FGNXFJAEWQQCEX-FRRDWIJNSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872141457 589882088 /nfs/dbraw/zinc/88/20/88/589882088.db2.gz HAMFNVZPXGDRGP-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)CC(C)(C)C[NH3+] ZINC000872141848 589882099 /nfs/dbraw/zinc/88/20/99/589882099.db2.gz WEHOGRGZIQXQII-LBPRGKRZSA-N 2 1 240.391 1.862 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)C1 ZINC000872141859 589882141 /nfs/dbraw/zinc/88/21/41/589882141.db2.gz WWRLCHHCMPABSE-TUAOUCFPSA-N 2 1 214.353 1.374 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)C1CC[NH2+]CC1 ZINC000872142286 589882249 /nfs/dbraw/zinc/88/22/49/589882249.db2.gz ROBBQMQUEINPQO-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP CN1CCC[C@@H]([N@@H+](C)CCCCCC[NH3+])C1=O ZINC000872155161 589886058 /nfs/dbraw/zinc/88/60/58/589886058.db2.gz FFDABXSYODXXPX-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP CCCNc1cc(N[C@@H](C)[C@H](C)[NH3+])nc[nH+]1 ZINC000872776443 589967346 /nfs/dbraw/zinc/96/73/46/589967346.db2.gz JSEKFEIKIHPWDN-IUCAKERBSA-N 2 1 223.324 1.446 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000873221702 590000155 /nfs/dbraw/zinc/00/01/55/590000155.db2.gz NYDPGRZZRPDFFW-NXEZZACHSA-N 2 1 214.378 1.409 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000873221702 590000159 /nfs/dbraw/zinc/00/01/59/590000159.db2.gz NYDPGRZZRPDFFW-NXEZZACHSA-N 2 1 214.378 1.409 20 0 BDADMP CCC[N@H+](Cc1cnc(N)cn1)C1CC[NH2+]CC1 ZINC000873200707 589992881 /nfs/dbraw/zinc/99/28/81/589992881.db2.gz DUTHUVMFACZRJR-UHFFFAOYSA-N 2 1 249.362 1.023 20 0 BDADMP CCC[N@@H+](Cc1cnc(N)cn1)C1CC[NH2+]CC1 ZINC000873200707 589992883 /nfs/dbraw/zinc/99/28/83/589992883.db2.gz DUTHUVMFACZRJR-UHFFFAOYSA-N 2 1 249.362 1.023 20 0 BDADMP CC(C)C[C@H](N)C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220361 589998559 /nfs/dbraw/zinc/99/85/59/589998559.db2.gz LHNUADRYMGTCCQ-YPMHNXCESA-N 2 1 227.396 1.338 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)CC[NH2+]C1 ZINC000873221386 589999363 /nfs/dbraw/zinc/99/93/63/589999363.db2.gz IYWWMPYTJJHCRF-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccnn1C ZINC000873223026 589999710 /nfs/dbraw/zinc/99/97/10/589999710.db2.gz JNCMZINSXZKPOI-QWRGUYRKSA-N 2 1 222.336 1.213 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(N)nc3)CC[C@@H]21 ZINC000873222045 590000094 /nfs/dbraw/zinc/00/00/94/590000094.db2.gz XZYPOYGYTXUWGE-OLZOCXBDSA-N 2 1 246.358 1.190 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873237892 590004593 /nfs/dbraw/zinc/00/45/93/590004593.db2.gz VGFLRORFNOOAOK-STQMWFEESA-N 3 1 241.423 1.872 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2ccccc21 ZINC000873256257 590011087 /nfs/dbraw/zinc/01/10/87/590011087.db2.gz NEVDETIFTZAXLQ-TXFQPVFDSA-N 2 1 231.343 1.458 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261674 590014430 /nfs/dbraw/zinc/01/44/30/590014430.db2.gz QBXIYMFCFOCSGF-RKQHYHRCSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)C1CC[NH2+]CC1 ZINC000873271832 590015959 /nfs/dbraw/zinc/01/59/59/590015959.db2.gz MHBDDXCAKABJDP-GXFFZTMASA-N 2 1 248.374 1.765 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000873296293 590023898 /nfs/dbraw/zinc/02/38/98/590023898.db2.gz WXCKBBXEHNFILH-KKZNHRDASA-N 2 1 222.336 1.561 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC1CC[NH+](C)CC1 ZINC000019959649 590055834 /nfs/dbraw/zinc/05/58/34/590055834.db2.gz TZVQHGIYHKBLAT-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@H]([NH3+])CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000877102259 590283240 /nfs/dbraw/zinc/28/32/40/590283240.db2.gz CZLRDPQZTMZBRK-AAEUAGOBSA-N 2 1 249.358 1.095 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)N(C)CCCCCC[NH3+] ZINC000877439258 590328444 /nfs/dbraw/zinc/32/84/44/590328444.db2.gz AIURYPCVOZCTMY-UHFFFAOYSA-N 2 1 243.395 1.304 20 0 BDADMP CC1(F)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000879381133 590758342 /nfs/dbraw/zinc/75/83/42/590758342.db2.gz PKROGVRHDPAVKU-LBPRGKRZSA-N 2 1 244.354 1.267 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccncc3)CC[C@@H]21 ZINC000879570038 590806505 /nfs/dbraw/zinc/80/65/05/590806505.db2.gz WKABRDNFTLXTMM-GJZGRUSLSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccncc3)CC[C@@H]21 ZINC000879570038 590806510 /nfs/dbraw/zinc/80/65/10/590806510.db2.gz WKABRDNFTLXTMM-GJZGRUSLSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccncc3)CC[C@@H]21 ZINC000879570038 590806513 /nfs/dbraw/zinc/80/65/13/590806513.db2.gz WKABRDNFTLXTMM-GJZGRUSLSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccncc3)CC[C@@H]21 ZINC000879570038 590806517 /nfs/dbraw/zinc/80/65/17/590806517.db2.gz WKABRDNFTLXTMM-GJZGRUSLSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCO)CC[C@H]21 ZINC000879571903 590810417 /nfs/dbraw/zinc/81/04/17/590810417.db2.gz TYLBNRUCZMKQRK-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCO)CC[C@H]21 ZINC000879571903 590810421 /nfs/dbraw/zinc/81/04/21/590810421.db2.gz TYLBNRUCZMKQRK-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCO)CC[C@H]21 ZINC000879571903 590810423 /nfs/dbraw/zinc/81/04/23/590810423.db2.gz TYLBNRUCZMKQRK-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCO)CC[C@H]21 ZINC000879571903 590810427 /nfs/dbraw/zinc/81/04/27/590810427.db2.gz TYLBNRUCZMKQRK-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CCOCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573626 590810472 /nfs/dbraw/zinc/81/04/72/590810472.db2.gz ZUJNZIZAEMVUJO-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573626 590810475 /nfs/dbraw/zinc/81/04/75/590810475.db2.gz ZUJNZIZAEMVUJO-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573626 590810479 /nfs/dbraw/zinc/81/04/79/590810479.db2.gz ZUJNZIZAEMVUJO-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573626 590810482 /nfs/dbraw/zinc/81/04/82/590810482.db2.gz ZUJNZIZAEMVUJO-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCO)CC[C@@H]21 ZINC000879571902 590811396 /nfs/dbraw/zinc/81/13/96/590811396.db2.gz TYLBNRUCZMKQRK-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCO)CC[C@@H]21 ZINC000879571902 590811385 /nfs/dbraw/zinc/81/13/85/590811385.db2.gz TYLBNRUCZMKQRK-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCO)CC[C@@H]21 ZINC000879571902 590811389 /nfs/dbraw/zinc/81/13/89/590811389.db2.gz TYLBNRUCZMKQRK-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCO)CC[C@@H]21 ZINC000879571902 590811393 /nfs/dbraw/zinc/81/13/93/590811393.db2.gz TYLBNRUCZMKQRK-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP COCCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573784 590812462 /nfs/dbraw/zinc/81/24/62/590812462.db2.gz RKOMFAXVWLNZRK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573784 590812464 /nfs/dbraw/zinc/81/24/64/590812464.db2.gz RKOMFAXVWLNZRK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573784 590812466 /nfs/dbraw/zinc/81/24/66/590812466.db2.gz RKOMFAXVWLNZRK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573784 590812469 /nfs/dbraw/zinc/81/24/69/590812469.db2.gz RKOMFAXVWLNZRK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(C)(C)O)CC[C@H]21 ZINC000879573993 590814207 /nfs/dbraw/zinc/81/42/07/590814207.db2.gz VJZRZARIKPKRBS-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(C)(C)O)CC[C@H]21 ZINC000879573993 590814210 /nfs/dbraw/zinc/81/42/10/590814210.db2.gz VJZRZARIKPKRBS-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(C)(C)O)CC[C@H]21 ZINC000879573993 590814213 /nfs/dbraw/zinc/81/42/13/590814213.db2.gz VJZRZARIKPKRBS-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP COC(CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879578192 590815544 /nfs/dbraw/zinc/81/55/44/590815544.db2.gz BSXFFIHMSLVRGP-NWDGAFQWSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879578192 590815546 /nfs/dbraw/zinc/81/55/46/590815546.db2.gz BSXFFIHMSLVRGP-NWDGAFQWSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000879578192 590815548 /nfs/dbraw/zinc/81/55/48/590815548.db2.gz BSXFFIHMSLVRGP-NWDGAFQWSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000879578192 590815552 /nfs/dbraw/zinc/81/55/52/590815552.db2.gz BSXFFIHMSLVRGP-NWDGAFQWSA-N 2 1 242.363 1.021 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cccnc3)CC[C@H]21 ZINC000879578571 590816321 /nfs/dbraw/zinc/81/63/21/590816321.db2.gz UPGZNTGXTMGLSP-HUUCEWRRSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccnc3)CC[C@H]21 ZINC000879578571 590816324 /nfs/dbraw/zinc/81/63/24/590816324.db2.gz UPGZNTGXTMGLSP-HUUCEWRRSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccnc3)CC[C@H]21 ZINC000879578571 590816327 /nfs/dbraw/zinc/81/63/27/590816327.db2.gz UPGZNTGXTMGLSP-HUUCEWRRSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccnc3)CC[C@H]21 ZINC000879578571 590816330 /nfs/dbraw/zinc/81/63/30/590816330.db2.gz UPGZNTGXTMGLSP-HUUCEWRRSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCOC3CCC3)CC[C@H]21 ZINC000879580565 590820185 /nfs/dbraw/zinc/82/01/85/590820185.db2.gz UDYOADYKAUHKCA-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCOC3CCC3)CC[C@H]21 ZINC000879580565 590820188 /nfs/dbraw/zinc/82/01/88/590820188.db2.gz UDYOADYKAUHKCA-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCOC3CCC3)CC[C@H]21 ZINC000879580565 590820193 /nfs/dbraw/zinc/82/01/93/590820193.db2.gz UDYOADYKAUHKCA-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCOC3CCC3)CC[C@H]21 ZINC000879580565 590820199 /nfs/dbraw/zinc/82/01/99/590820199.db2.gz UDYOADYKAUHKCA-GXTWGEPZSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)C[N@@H+](CCO)CC1CC[NH+](C)CC1 ZINC000879704020 590852218 /nfs/dbraw/zinc/85/22/18/590852218.db2.gz IKFJWGHBWDVENQ-UHFFFAOYSA-N 2 1 228.380 1.279 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC000880131856 590933336 /nfs/dbraw/zinc/93/33/36/590933336.db2.gz KASMABALDIFZNC-UONOGXRCSA-N 2 1 231.343 1.750 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC000880131857 590934916 /nfs/dbraw/zinc/93/49/16/590934916.db2.gz KASMABALDIFZNC-ZIAGYGMSSA-N 2 1 231.343 1.750 20 0 BDADMP C[C@H]1C[N@@H+](CCCCO)CCN1c1cc[nH+]cc1 ZINC000880262963 590979745 /nfs/dbraw/zinc/97/97/45/590979745.db2.gz UOAOFDFPZNSVMG-ZDUSSCGKSA-N 2 1 249.358 1.365 20 0 BDADMP CC1([NH+]2CCC2)CC[NH+](CCc2cn[nH]c2)CC1 ZINC000880474384 591054343 /nfs/dbraw/zinc/05/43/43/591054343.db2.gz HQTPEKGWLCQPIF-UHFFFAOYSA-N 2 1 248.374 1.512 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000129250972 591273350 /nfs/dbraw/zinc/27/33/50/591273350.db2.gz JYMUPEZZQLCDEA-ZDUSSCGKSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000129611595 591339866 /nfs/dbraw/zinc/33/98/66/591339866.db2.gz MMILFXRAWYPNRF-QEJZJMRPSA-N 2 1 248.370 1.792 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@H](C)C1 ZINC000883321107 591615600 /nfs/dbraw/zinc/61/56/00/591615600.db2.gz LNTMBCDWYOQIQA-MQYQWHSLSA-N 2 1 240.391 1.731 20 0 BDADMP CCN1CC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883356628 591627100 /nfs/dbraw/zinc/62/71/00/591627100.db2.gz RMFAEZICWSHSMY-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@@H+]1CC[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000883356628 591627104 /nfs/dbraw/zinc/62/71/04/591627104.db2.gz RMFAEZICWSHSMY-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000883356628 591627108 /nfs/dbraw/zinc/62/71/08/591627108.db2.gz RMFAEZICWSHSMY-STQMWFEESA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@H+]1C ZINC000883424544 591658707 /nfs/dbraw/zinc/65/87/07/591658707.db2.gz WHICXNDDBJOJEA-VOAKCMCISA-N 2 1 243.370 1.101 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC1(F)F)C[C@H](O)C[NH3+] ZINC000883430105 591661887 /nfs/dbraw/zinc/66/18/87/591661887.db2.gz NHOZWILPWWWEAR-NXEZZACHSA-N 2 1 236.306 1.063 20 0 BDADMP CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000883442570 591668698 /nfs/dbraw/zinc/66/86/98/591668698.db2.gz OLBJMQSJUJFJEV-QWRGUYRKSA-N 2 1 213.369 1.221 20 0 BDADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)[C@@H]1CC[NH2+]C1 ZINC000883459070 591674367 /nfs/dbraw/zinc/67/43/67/591674367.db2.gz ITUIARHHTGAVFI-ZDUSSCGKSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@@H+]1CCNCCC12CCC2)[C@@H]1CC[NH2+]C1 ZINC000883459070 591674371 /nfs/dbraw/zinc/67/43/71/591674371.db2.gz ITUIARHHTGAVFI-ZDUSSCGKSA-N 2 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCNCCC12CCC2)[C@@H]1CC[NH2+]C1 ZINC000883459070 591674375 /nfs/dbraw/zinc/67/43/75/591674375.db2.gz ITUIARHHTGAVFI-ZDUSSCGKSA-N 2 1 237.391 1.204 20 0 BDADMP Cc1n[nH]c(C[NH2+]CCCn2cc[nH+]c2C)c1C ZINC000885926997 592109255 /nfs/dbraw/zinc/10/92/55/592109255.db2.gz LXYRCPCMVRSVBZ-UHFFFAOYSA-N 2 1 247.346 1.711 20 0 BDADMP CCC1([NH+]2CCC2)CC[NH+](CCCO)CC1 ZINC000886708954 592309611 /nfs/dbraw/zinc/30/96/11/592309611.db2.gz HHWTZIHIXWAPOX-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H](C)OC)CC1 ZINC000886716373 592310570 /nfs/dbraw/zinc/31/05/70/592310570.db2.gz XDTTYDUXSIPKTG-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827000 592350518 /nfs/dbraw/zinc/35/05/18/592350518.db2.gz BLFDMQATCXPKAD-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827000 592350521 /nfs/dbraw/zinc/35/05/21/592350521.db2.gz BLFDMQATCXPKAD-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@H]1C[C@@]12CCOC2)C1CC1 ZINC000886830875 592354753 /nfs/dbraw/zinc/35/47/53/592354753.db2.gz ZEHLHLBPFOUMHE-JHJVBQTASA-N 2 1 224.348 1.130 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886837320 592358062 /nfs/dbraw/zinc/35/80/62/592358062.db2.gz FCYAUPCVXIOWLR-RFGFWPKPSA-N 2 1 238.375 1.472 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870009 592375757 /nfs/dbraw/zinc/37/57/57/592375757.db2.gz NFGOVWMITRKCJY-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887348835 592485462 /nfs/dbraw/zinc/48/54/62/592485462.db2.gz YZQRHMGZZIQJIV-SECBINFHSA-N 2 1 248.321 1.097 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887351471 592486467 /nfs/dbraw/zinc/48/64/67/592486467.db2.gz QBZPBMRIGYQZHC-LBPRGKRZSA-N 2 1 238.379 1.241 20 0 BDADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300047803 592501748 /nfs/dbraw/zinc/50/17/48/592501748.db2.gz SGEALWIVQDCTEL-VXGBXAGGSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300239267 592505238 /nfs/dbraw/zinc/50/52/38/592505238.db2.gz RSUHEZZYLHZUQD-IHRRRGAJSA-N 2 1 240.391 1.610 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925703375 634379670 /nfs/dbraw/zinc/37/96/70/634379670.db2.gz DKCSTZNLFALUBQ-LPWJVIDDSA-N 2 1 237.391 1.105 20 0 BDADMP [NH3+]CC1(CCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925704620 634384628 /nfs/dbraw/zinc/38/46/28/634384628.db2.gz ZCLKFUVAWZDMTR-LBPRGKRZSA-N 2 1 237.391 1.380 20 0 BDADMP N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C12CCC2 ZINC000925706593 634391395 /nfs/dbraw/zinc/39/13/95/634391395.db2.gz MZYBUABYGGXULN-QNSTZXKLSA-N 2 1 249.402 1.234 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2ncnn21 ZINC000925707630 634396339 /nfs/dbraw/zinc/39/63/39/634396339.db2.gz LZGPPPUIKABYSP-PWSUYJOCSA-N 2 1 247.346 1.135 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ncnn21 ZINC000925707630 634396346 /nfs/dbraw/zinc/39/63/46/634396346.db2.gz LZGPPPUIKABYSP-PWSUYJOCSA-N 2 1 247.346 1.135 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)O1 ZINC000925710090 634407051 /nfs/dbraw/zinc/40/70/51/634407051.db2.gz QDUWIABUJIWACL-AGIUHOORSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000925710594 634408239 /nfs/dbraw/zinc/40/82/39/634408239.db2.gz QHLULAHMINSWSZ-BZPMIXESSA-N 3 1 235.375 1.792 20 0 BDADMP C[C@@H]([NH3+])[C@H](N[C@H](C)CCC[NH3+])c1ccccc1 ZINC000925710594 634408242 /nfs/dbraw/zinc/40/82/42/634408242.db2.gz QHLULAHMINSWSZ-BZPMIXESSA-N 2 1 235.375 1.792 20 0 BDADMP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCCCO1 ZINC000257742500 634488660 /nfs/dbraw/zinc/48/86/60/634488660.db2.gz ZCFAFORKHXNPRR-KBPBESRZSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CCCCO1 ZINC000257742500 634488663 /nfs/dbraw/zinc/48/86/63/634488663.db2.gz ZCFAFORKHXNPRR-KBPBESRZSA-N 2 1 238.375 1.774 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000423290732 634575422 /nfs/dbraw/zinc/57/54/22/634575422.db2.gz FFOHTOQEIKLWEA-LLVKDONJSA-N 2 1 236.363 1.894 20 0 BDADMP CCC[C@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925847598 635524405 /nfs/dbraw/zinc/52/44/05/635524405.db2.gz ZGXKAPORFWMXDN-AWEZNQCLSA-N 2 1 241.423 1.840 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000925890524 635616470 /nfs/dbraw/zinc/61/64/70/635616470.db2.gz QBARCONKMDRBHE-BDAKNGLRSA-N 2 1 225.336 1.761 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCCCCO ZINC000236161712 635596545 /nfs/dbraw/zinc/59/65/45/635596545.db2.gz DAZRJFCBOJAKLA-ZDUSSCGKSA-N 2 1 228.380 1.742 20 0 BDADMP Cl/C=C\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308407048 631268283 /nfs/dbraw/zinc/26/82/83/631268283.db2.gz MNNJPZHGFUAFRZ-YHXFBWIHSA-N 2 1 200.713 1.423 20 0 BDADMP Cl/C=C\C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308407048 631268285 /nfs/dbraw/zinc/26/82/85/631268285.db2.gz MNNJPZHGFUAFRZ-YHXFBWIHSA-N 2 1 200.713 1.423 20 0 BDADMP Cl/C=C\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000308427328 631333476 /nfs/dbraw/zinc/33/34/76/631333476.db2.gz ZPMUIJYYQZKUCC-WPEWVOEUSA-N 2 1 214.740 1.955 20 0 BDADMP Cl/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000308427328 631333478 /nfs/dbraw/zinc/33/34/78/631333478.db2.gz ZPMUIJYYQZKUCC-WPEWVOEUSA-N 2 1 214.740 1.955 20 0 BDADMP C[N@H+](C[C@H]1CCC=CO1)C[C@H]1CCC[NH+](C)C1 ZINC000249036375 635686221 /nfs/dbraw/zinc/68/62/21/635686221.db2.gz STIUSWUQRMWNKH-UONOGXRCSA-N 2 1 238.375 1.953 20 0 BDADMP C[NH+](C[C@H]1CCC=CO1)C[C@H]1CCC[N@H+](C)C1 ZINC000249036375 635686228 /nfs/dbraw/zinc/68/62/28/635686228.db2.gz STIUSWUQRMWNKH-UONOGXRCSA-N 2 1 238.375 1.953 20 0 BDADMP C[NH+](C[C@H]1CCC=CO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000249036375 635686234 /nfs/dbraw/zinc/68/62/34/635686234.db2.gz STIUSWUQRMWNKH-UONOGXRCSA-N 2 1 238.375 1.953 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000934124115 631702883 /nfs/dbraw/zinc/70/28/83/631702883.db2.gz NFULXJBNGKAMMS-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@@H]1[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000934124115 631702889 /nfs/dbraw/zinc/70/28/89/631702889.db2.gz NFULXJBNGKAMMS-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[C@@H]1[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000934124115 631702896 /nfs/dbraw/zinc/70/28/96/631702896.db2.gz NFULXJBNGKAMMS-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224610265 632061537 /nfs/dbraw/zinc/06/15/37/632061537.db2.gz OYCTVCKCAJTAPU-ZJUUUORDSA-N 2 1 200.351 1.020 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250222958 632539145 /nfs/dbraw/zinc/53/91/45/632539145.db2.gz DZVFFIFHZLQMPS-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250222958 632539154 /nfs/dbraw/zinc/53/91/54/632539154.db2.gz DZVFFIFHZLQMPS-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250222958 632539167 /nfs/dbraw/zinc/53/91/67/632539167.db2.gz DZVFFIFHZLQMPS-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP c1ccc(C[N@H+]2CC[C@@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250644002 632542793 /nfs/dbraw/zinc/54/27/93/632542793.db2.gz IDHKQPPDNXBEFW-LSDHHAIUSA-N 2 1 245.370 1.212 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000235262262 632591362 /nfs/dbraw/zinc/59/13/62/632591362.db2.gz ZPRGNQMRWBVGOC-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C)CC1 ZINC000235658951 632808813 /nfs/dbraw/zinc/80/88/13/632808813.db2.gz WXOZIUQETQKEPM-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@]1(C[NH3+])CCN(c2cc[nH+]cc2Cl)C1 ZINC000235710383 632820194 /nfs/dbraw/zinc/82/01/94/632820194.db2.gz PFCYONJWPKCYSU-LLVKDONJSA-N 2 1 225.723 1.910 20 0 BDADMP CCNC(NCC[N@H+]1CCCC[C@@H]1C)=[NH+]CC ZINC000066243422 632861661 /nfs/dbraw/zinc/86/16/61/632861661.db2.gz VTYXDWTWAPZZPT-LBPRGKRZSA-N 2 1 240.395 1.436 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000236257808 632904892 /nfs/dbraw/zinc/90/48/92/632904892.db2.gz WVTGOFXJHGQRSH-CYBMUJFWSA-N 2 1 228.380 1.600 20 0 BDADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000924574802 632941721 /nfs/dbraw/zinc/94/17/21/632941721.db2.gz GCESBBMEFFGGKV-KBPBESRZSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccnnc1 ZINC000926753741 632980293 /nfs/dbraw/zinc/98/02/93/632980293.db2.gz IXHTXGMLXVPWNM-CHWSQXEVSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccnnc1 ZINC000926753741 632980296 /nfs/dbraw/zinc/98/02/96/632980296.db2.gz IXHTXGMLXVPWNM-CHWSQXEVSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000665282724 636102267 /nfs/dbraw/zinc/10/22/67/636102267.db2.gz ALBODNKLNUBFJG-GUBZILKMSA-N 2 1 210.325 1.197 20 0 BDADMP C[C@H](CCN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290944 636131571 /nfs/dbraw/zinc/13/15/71/636131571.db2.gz WSCVSFCROKGOEA-OLZOCXBDSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@H](CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290944 636131573 /nfs/dbraw/zinc/13/15/73/636131573.db2.gz WSCVSFCROKGOEA-OLZOCXBDSA-N 3 1 241.423 1.789 20 0 BDADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290944 636131576 /nfs/dbraw/zinc/13/15/76/636131576.db2.gz WSCVSFCROKGOEA-OLZOCXBDSA-N 3 1 241.423 1.789 20 0 BDADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290943 636131783 /nfs/dbraw/zinc/13/17/83/636131783.db2.gz WSCVSFCROKGOEA-CHWSQXEVSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290943 636131788 /nfs/dbraw/zinc/13/17/88/636131788.db2.gz WSCVSFCROKGOEA-CHWSQXEVSA-N 3 1 241.423 1.789 20 0 BDADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000895290943 636131791 /nfs/dbraw/zinc/13/17/91/636131791.db2.gz WSCVSFCROKGOEA-CHWSQXEVSA-N 3 1 241.423 1.789 20 0 BDADMP CSCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925505451 633836660 /nfs/dbraw/zinc/83/66/60/633836660.db2.gz OQKVLCXDJSZQRX-VIFPVBQESA-N 2 1 200.351 1.224 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925509920 633848944 /nfs/dbraw/zinc/84/89/44/633848944.db2.gz PVMWKUDOETYUTQ-VXGBXAGGSA-N 2 1 225.380 1.201 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000312045131 633897227 /nfs/dbraw/zinc/89/72/27/633897227.db2.gz ULVTVDFVEJZBQG-LDYMZIIASA-N 2 1 223.320 1.461 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000312045131 633897230 /nfs/dbraw/zinc/89/72/30/633897230.db2.gz ULVTVDFVEJZBQG-LDYMZIIASA-N 2 1 223.320 1.461 20 0 BDADMP C[NH2+]C(C)(C)CNc1nc(C)[nH+]c(C)c1C ZINC000309965624 634053109 /nfs/dbraw/zinc/05/31/09/634053109.db2.gz NHBGFMOMOLIGJG-UHFFFAOYSA-N 2 1 222.336 1.812 20 0 BDADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925606480 634133983 /nfs/dbraw/zinc/13/39/83/634133983.db2.gz WLKQPLYZBDFJMF-DGAVXFQQSA-N 2 1 240.391 1.778 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925670392 634252481 /nfs/dbraw/zinc/25/24/81/634252481.db2.gz JMPUAHGTPHFHAB-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[NH2+][C@H]1C ZINC000925676492 634264564 /nfs/dbraw/zinc/26/45/64/634264564.db2.gz MQERRNAVSQKQCI-RDBSUJKOSA-N 2 1 241.423 1.837 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925692423 634325436 /nfs/dbraw/zinc/32/54/36/634325436.db2.gz KEWZFYPOOSXSCC-WUHRBBMRSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]([NH3+])[C@H](NCC(F)(F)C[NH3+])c1ccccc1 ZINC000925698693 634365313 /nfs/dbraw/zinc/36/53/13/634365313.db2.gz LSANWRPGHATRAW-KOLCDFICSA-N 2 1 243.301 1.259 20 0 BDADMP C[C@H](N)[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1 ZINC000925700103 634368895 /nfs/dbraw/zinc/36/88/95/634368895.db2.gz RKVDCXYMUSOXJW-SWLSCSKDSA-N 2 1 245.370 1.584 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925774230 635233196 /nfs/dbraw/zinc/23/31/96/635233196.db2.gz LMWZHLLJFVNWNU-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@H]1CCC[NH2+]1 ZINC000925775069 635240912 /nfs/dbraw/zinc/24/09/12/635240912.db2.gz ZWFRGLBXGHTYLS-RWMBFGLXSA-N 2 1 238.375 1.676 20 0 BDADMP Cn1cnc2cc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])ccc21 ZINC000259102188 635241657 /nfs/dbraw/zinc/24/16/57/635241657.db2.gz SFTXVDHBYHCVBX-VXGBXAGGSA-N 2 1 244.342 1.543 20 0 BDADMP Cn1nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1C1CC1 ZINC000925873372 635590746 /nfs/dbraw/zinc/59/07/46/635590746.db2.gz JEEUELUXXNZHSL-RYUDHWBXSA-N 2 1 248.374 1.657 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000236170460 635594592 /nfs/dbraw/zinc/59/45/92/635594592.db2.gz WVTGOFXJHGQRSH-ZDUSSCGKSA-N 2 1 228.380 1.600 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925891691 635617932 /nfs/dbraw/zinc/61/79/32/635617932.db2.gz WXNGOYMHPCQAPL-LLVKDONJSA-N 2 1 237.347 1.777 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621570 636826688 /nfs/dbraw/zinc/82/66/88/636826688.db2.gz IWFDHTCLBVQDKU-RDBSUJKOSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621570 636826692 /nfs/dbraw/zinc/82/66/92/636826692.db2.gz IWFDHTCLBVQDKU-RDBSUJKOSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621570 636826695 /nfs/dbraw/zinc/82/66/95/636826695.db2.gz IWFDHTCLBVQDKU-RDBSUJKOSA-N 2 1 236.359 1.563 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CCN(OC)CC2)CC1 ZINC000323079476 636895771 /nfs/dbraw/zinc/89/57/71/636895771.db2.gz STPLUOMOLTXNFS-UHFFFAOYSA-N 2 1 241.379 1.086 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@H]1CC)C[NH+](C)C ZINC000926958002 636971717 /nfs/dbraw/zinc/97/17/17/636971717.db2.gz DLNUDBIFUCLWEG-UPJWGTAASA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)C[NH+](C)C ZINC000926960827 636973579 /nfs/dbraw/zinc/97/35/79/636973579.db2.gz NNAVWDGLXFLQEM-UPJWGTAASA-N 2 1 244.379 1.110 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](CC)C1CC1)C[NH+](C)C ZINC000926965106 636977907 /nfs/dbraw/zinc/97/79/07/636977907.db2.gz PAFYMWASBGZOTG-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704246 637012601 /nfs/dbraw/zinc/01/26/01/637012601.db2.gz CDSPJNFJYRBPCI-NEPJUHHUSA-N 2 1 249.358 1.780 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000042424613 637244409 /nfs/dbraw/zinc/24/44/09/637244409.db2.gz YURUCXLARRCQRD-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463759 637363996 /nfs/dbraw/zinc/36/39/96/637363996.db2.gz LQYVGQDLGQRNSU-VOAKCMCISA-N 2 1 224.348 1.082 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903566361 637372168 /nfs/dbraw/zinc/37/21/68/637372168.db2.gz QURWTGFDVUEEHK-TZMCWYRMSA-N 2 1 248.374 1.557 20 0 BDADMP CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000903725365 637378252 /nfs/dbraw/zinc/37/82/52/637378252.db2.gz YYQONYUWFGLWTK-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903724847 637379191 /nfs/dbraw/zinc/37/91/91/637379191.db2.gz RDCWNYPZWBOXGB-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721939 637379412 /nfs/dbraw/zinc/37/94/12/637379412.db2.gz GGZAGHDORCOKFQ-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000903789453 637384173 /nfs/dbraw/zinc/38/41/73/637384173.db2.gz XIQYUJPLCIVBQN-MGPQQGTHSA-N 3 1 239.407 1.293 20 0 BDADMP Oc1cncc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000904434869 637402208 /nfs/dbraw/zinc/40/22/08/637402208.db2.gz ZOOXVVPTLGCLQQ-LLVKDONJSA-N 2 1 221.304 1.019 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000904463165 637406250 /nfs/dbraw/zinc/40/62/50/637406250.db2.gz UWTNFMKYWDJCBV-SNVBAGLBSA-N 2 1 214.353 1.247 20 0 BDADMP CC(C)(C[NH3+])C1CC[NH+](Cc2cocn2)CC1 ZINC000904444043 637413163 /nfs/dbraw/zinc/41/31/63/637413163.db2.gz LPBZVXQARSIUHZ-UHFFFAOYSA-N 2 1 237.347 1.872 20 0 BDADMP Cc1cc(F)ccc1C[NH2+]CC1([NH3+])CC1 ZINC000904449753 637413781 /nfs/dbraw/zinc/41/37/81/637413781.db2.gz MCOAYDLUOXLNGP-UHFFFAOYSA-N 2 1 208.280 1.715 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000904451691 637416017 /nfs/dbraw/zinc/41/60/17/637416017.db2.gz ZVPJNUJSQKHTCS-UHFFFAOYSA-N 2 1 242.326 1.658 20 0 BDADMP CC(C)[N@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000905056646 637587362 /nfs/dbraw/zinc/58/73/62/637587362.db2.gz ASETUTMNLDTZPG-UHFFFAOYSA-N 2 1 237.351 1.043 20 0 BDADMP CC(C)[N@@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000905056646 637587368 /nfs/dbraw/zinc/58/73/68/637587368.db2.gz ASETUTMNLDTZPG-UHFFFAOYSA-N 2 1 237.351 1.043 20 0 BDADMP [NH3+]C1(c2noc(/C=C/[C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000905329991 637779363 /nfs/dbraw/zinc/77/93/63/637779363.db2.gz HTWIHCDMWXSHBU-NWALNABHSA-N 2 1 234.303 1.030 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12)C1CC1 ZINC000905667951 637878056 /nfs/dbraw/zinc/87/80/56/637878056.db2.gz SNJUCPZBWSMEJJ-AHLTXXRQSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12)C1CC1 ZINC000905667951 637878058 /nfs/dbraw/zinc/87/80/58/637878058.db2.gz SNJUCPZBWSMEJJ-AHLTXXRQSA-N 2 1 238.375 1.220 20 0 BDADMP CCOc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906507994 638179491 /nfs/dbraw/zinc/17/94/91/638179491.db2.gz GNTYOICJMPCOPE-HAQNSBGRSA-N 2 1 220.316 1.665 20 0 BDADMP CCc1cccc(F)c1C[NH2+]C1CC([NH3+])C1 ZINC000906509994 638184610 /nfs/dbraw/zinc/18/46/10/638184610.db2.gz GYNQWWMONHAHMS-UHFFFAOYSA-N 2 1 222.307 1.967 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOC3CC3)C2)C1 ZINC000930575767 639813141 /nfs/dbraw/zinc/81/31/41/639813141.db2.gz DOXHTRDVDXRMLF-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP CC1CC(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000930903708 639979301 /nfs/dbraw/zinc/97/93/01/639979301.db2.gz OHWQUNPYMGCNEB-RUXDESIVSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930902649 639980167 /nfs/dbraw/zinc/98/01/67/639980167.db2.gz DLJWOXGREHAXKA-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C[C@H]1CCC[N@H+]1C ZINC000931036510 640031060 /nfs/dbraw/zinc/03/10/60/640031060.db2.gz GMCXHBYTGXLVLT-UPJWGTAASA-N 2 1 225.380 1.105 20 0 BDADMP COCC1(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCC1 ZINC000931278035 640124276 /nfs/dbraw/zinc/12/42/76/640124276.db2.gz WRMRZYHWZRSFJQ-ITGUQSILSA-N 2 1 238.375 1.295 20 0 BDADMP COCC1(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCC1 ZINC000931278035 640124282 /nfs/dbraw/zinc/12/42/82/640124282.db2.gz WRMRZYHWZRSFJQ-ITGUQSILSA-N 2 1 238.375 1.295 20 0 BDADMP CSC[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354797 640167801 /nfs/dbraw/zinc/16/78/01/640167801.db2.gz NQLPYPRDYZVCFM-LLVKDONJSA-N 2 1 246.420 1.126 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931431883 640199678 /nfs/dbraw/zinc/19/96/78/640199678.db2.gz FKMDUECLJSUVPO-OLZOCXBDSA-N 2 1 249.358 1.675 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931431883 640199682 /nfs/dbraw/zinc/19/96/82/640199682.db2.gz FKMDUECLJSUVPO-OLZOCXBDSA-N 2 1 249.358 1.675 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430678 640200442 /nfs/dbraw/zinc/20/04/42/640200442.db2.gz QKMSHDRJBZZTHO-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)OCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430678 640200449 /nfs/dbraw/zinc/20/04/49/640200449.db2.gz QKMSHDRJBZZTHO-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP CC(C)OCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430678 640200455 /nfs/dbraw/zinc/20/04/55/640200455.db2.gz QKMSHDRJBZZTHO-QWHCGFSZSA-N 2 1 226.364 1.295 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cn3)C[C@@H]2C1 ZINC000931435711 640201405 /nfs/dbraw/zinc/20/14/05/640201405.db2.gz HDYIFSXFPJZHSX-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cn3)C[C@@H]2C1 ZINC000931435711 640201411 /nfs/dbraw/zinc/20/14/11/640201411.db2.gz HDYIFSXFPJZHSX-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)cn3)C[C@@H]2C1 ZINC000931435711 640201416 /nfs/dbraw/zinc/20/14/16/640201416.db2.gz HDYIFSXFPJZHSX-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@@H]2C1 ZINC000931435711 640201419 /nfs/dbraw/zinc/20/14/19/640201419.db2.gz HDYIFSXFPJZHSX-NEPJUHHUSA-N 2 1 249.333 1.604 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437040 640203026 /nfs/dbraw/zinc/20/30/26/640203026.db2.gz MMJRTOBETPZFBQ-UONOGXRCSA-N 2 1 240.391 1.543 20 0 BDADMP CC(C)COCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437040 640203028 /nfs/dbraw/zinc/20/30/28/640203028.db2.gz MMJRTOBETPZFBQ-UONOGXRCSA-N 2 1 240.391 1.543 20 0 BDADMP CC(C)COCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437040 640203032 /nfs/dbraw/zinc/20/30/32/640203032.db2.gz MMJRTOBETPZFBQ-UONOGXRCSA-N 2 1 240.391 1.543 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)O1 ZINC000931435560 640203832 /nfs/dbraw/zinc/20/38/32/640203832.db2.gz FZHWFNXGFMGCER-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)O1 ZINC000931435560 640203837 /nfs/dbraw/zinc/20/38/37/640203837.db2.gz FZHWFNXGFMGCER-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)O1 ZINC000931435560 640203840 /nfs/dbraw/zinc/20/38/40/640203840.db2.gz FZHWFNXGFMGCER-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP Cc1c[nH]nc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931442502 640209131 /nfs/dbraw/zinc/20/91/31/640209131.db2.gz JDZSSRAQMWYORU-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP Cc1c[nH]nc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931442502 640209133 /nfs/dbraw/zinc/20/91/33/640209133.db2.gz JDZSSRAQMWYORU-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442502 640209136 /nfs/dbraw/zinc/20/91/36/640209136.db2.gz JDZSSRAQMWYORU-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442502 640209139 /nfs/dbraw/zinc/20/91/39/640209139.db2.gz JDZSSRAQMWYORU-NEPJUHHUSA-N 2 1 234.347 1.102 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2CN(C)CC3)C1 ZINC000931719622 640333276 /nfs/dbraw/zinc/33/32/76/640333276.db2.gz WJFUOLYMRPYCEJ-ZOBORPQBSA-N 2 1 238.375 1.722 20 0 BDADMP COCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931724248 640340394 /nfs/dbraw/zinc/34/03/94/640340394.db2.gz AFKFPMWWZJKMGQ-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+]1CCC(C[NH2+]Cc2c[nH]cn2)CC1 ZINC000054765260 640407975 /nfs/dbraw/zinc/40/79/75/640407975.db2.gz DYAATBWUGRIPCE-UHFFFAOYSA-N 2 1 222.336 1.231 20 0 BDADMP CCn1nccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000157085497 640569723 /nfs/dbraw/zinc/56/97/23/640569723.db2.gz XWQTVBQEDAHPQD-VXGBXAGGSA-N 2 1 236.363 1.462 20 0 BDADMP CCn1nccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000157085497 640569732 /nfs/dbraw/zinc/56/97/32/640569732.db2.gz XWQTVBQEDAHPQD-VXGBXAGGSA-N 2 1 236.363 1.462 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCSC1 ZINC000224621991 640629523 /nfs/dbraw/zinc/62/95/23/640629523.db2.gz IXLJKJWLZKRZTF-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP Cc1nc(CC[NH2+]C[C@@H]2CCC[NH2+]2)cs1 ZINC000226316373 640748770 /nfs/dbraw/zinc/74/87/70/640748770.db2.gz BZLBUHIMECWTCS-JTQLQIEISA-N 2 1 225.361 1.336 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3C=CCCC3)C[C@]2(C)C1 ZINC000933740560 640756337 /nfs/dbraw/zinc/75/63/37/640756337.db2.gz KUDIVDLZGCQZTG-RDBSUJKOSA-N 2 1 220.360 1.979 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3C=CCCC3)C[C@]2(C)C1 ZINC000933740560 640756344 /nfs/dbraw/zinc/75/63/44/640756344.db2.gz KUDIVDLZGCQZTG-RDBSUJKOSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3C=CCCC3)C[C@]2(C)C1 ZINC000933740560 640756350 /nfs/dbraw/zinc/75/63/50/640756350.db2.gz KUDIVDLZGCQZTG-RDBSUJKOSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3C=CCCC3)C[C@]2(C)C1 ZINC000933740560 640756353 /nfs/dbraw/zinc/75/63/53/640756353.db2.gz KUDIVDLZGCQZTG-RDBSUJKOSA-N 2 1 220.360 1.979 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933734439 640759014 /nfs/dbraw/zinc/75/90/14/640759014.db2.gz PWJYLRRAHUYQIC-IGQOVBAYSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000933734439 640759023 /nfs/dbraw/zinc/75/90/23/640759023.db2.gz PWJYLRRAHUYQIC-IGQOVBAYSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000933734439 640759029 /nfs/dbraw/zinc/75/90/29/640759029.db2.gz PWJYLRRAHUYQIC-IGQOVBAYSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734845 640759505 /nfs/dbraw/zinc/75/95/05/640759505.db2.gz SCQPXAGFTVPNRL-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734845 640759506 /nfs/dbraw/zinc/75/95/06/640759506.db2.gz SCQPXAGFTVPNRL-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734845 640759507 /nfs/dbraw/zinc/75/95/07/640759507.db2.gz SCQPXAGFTVPNRL-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000226422552 640761986 /nfs/dbraw/zinc/76/19/86/640761986.db2.gz LKLUOWMHUZADJF-AAEUAGOBSA-N 2 1 236.363 1.022 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226420629 640762968 /nfs/dbraw/zinc/76/29/68/640762968.db2.gz OBRUIAHAAXPVET-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+]C[C@H]2C)c1 ZINC000158065094 640789004 /nfs/dbraw/zinc/78/90/04/640789004.db2.gz RBZLLMHEDNMCMV-LLVKDONJSA-N 2 1 235.331 1.192 20 0 BDADMP C[N@@H+](CCOCC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000087399822 640883420 /nfs/dbraw/zinc/88/34/20/640883420.db2.gz ZKVXEPJUNYZYJU-OLZOCXBDSA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCOC1 ZINC000061148367 640929312 /nfs/dbraw/zinc/92/93/12/640929312.db2.gz QLNUNAORTXJMRX-WODVXLOZSA-N 2 1 224.348 1.367 20 0 BDADMP C(C[N@H+]1CCCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000061918659 641009414 /nfs/dbraw/zinc/00/94/14/641009414.db2.gz XSSUELHMNUZQQM-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP C(C[N@H+]1CCCOCC1)[C@H]1CCC[NH2+]C1 ZINC000061918658 641009876 /nfs/dbraw/zinc/00/98/76/641009876.db2.gz XSSUELHMNUZQQM-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000230313698 641045820 /nfs/dbraw/zinc/04/58/20/641045820.db2.gz MIRPFMYVLNACPP-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CCCCC1([NH2+]C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000934201554 641099323 /nfs/dbraw/zinc/09/93/23/641099323.db2.gz AZGIJVDHBPEQBX-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP CCCCC1([NH2+]C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000934201555 641099640 /nfs/dbraw/zinc/09/96/40/641099640.db2.gz AZGIJVDHBPEQBX-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP C[N@@H+](CCc1ccncc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862154 641100433 /nfs/dbraw/zinc/10/04/33/641100433.db2.gz LDFHWPQIWFCZFV-OAHLLOKOSA-N 2 1 247.386 1.946 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]CCc1c[nH+]cn1C ZINC000934230282 641107723 /nfs/dbraw/zinc/10/77/23/641107723.db2.gz OVAWXBDDUTWSSO-GFCCVEGCSA-N 2 1 244.342 1.578 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(C)=O)C1 ZINC000173887192 641212197 /nfs/dbraw/zinc/21/21/97/641212197.db2.gz MVTMBZSWGHVYLV-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)=O)C1 ZINC000173887192 641212203 /nfs/dbraw/zinc/21/22/03/641212203.db2.gz MVTMBZSWGHVYLV-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)=O)C1 ZINC000173887192 641212212 /nfs/dbraw/zinc/21/22/12/641212212.db2.gz MVTMBZSWGHVYLV-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)=O)C1 ZINC000173887192 641212217 /nfs/dbraw/zinc/21/22/17/641212217.db2.gz MVTMBZSWGHVYLV-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232148786 641250487 /nfs/dbraw/zinc/25/04/87/641250487.db2.gz LAHRMNJAYXJZCG-BNOWGMLFSA-N 2 1 240.391 1.739 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)O1 ZINC000723916494 711504856 /nfs/dbraw/zinc/50/48/56/711504856.db2.gz WWIDUBUTGXIHPO-XQHKEYJVSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@H+]1CCC[C@H](NC(=O)CCCCCC[NH3+])C1 ZINC000040673711 641535112 /nfs/dbraw/zinc/53/51/12/641535112.db2.gz QREDAZWDRUOILM-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP Cn1c[nH+]cc1CCCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000314919584 641579303 /nfs/dbraw/zinc/57/93/03/641579303.db2.gz KLXHGKNJYVWDOQ-GFCCVEGCSA-N 2 1 236.363 1.022 20 0 BDADMP Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(N)[nH+]1 ZINC000049390774 641716902 /nfs/dbraw/zinc/71/69/02/641716902.db2.gz PSGNQFLBBHTNJO-LLVKDONJSA-N 2 1 249.362 1.509 20 0 BDADMP CCCCOC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170896 642421794 /nfs/dbraw/zinc/42/17/94/642421794.db2.gz VOQBOJZJNJLDLG-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP CCCCOC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170896 642421800 /nfs/dbraw/zinc/42/18/00/642421800.db2.gz VOQBOJZJNJLDLG-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253236312 642633003 /nfs/dbraw/zinc/63/30/03/642633003.db2.gz NPILWZJRIFCJCP-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000253360842 642640407 /nfs/dbraw/zinc/64/04/07/642640407.db2.gz BCXZMMRTXQSAJQ-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000097929577 642641653 /nfs/dbraw/zinc/64/16/53/642641653.db2.gz ZHMHYZOMGABNEW-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CCOCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233743849 642691313 /nfs/dbraw/zinc/69/13/13/642691313.db2.gz ZCDDJQRWQUUQBB-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP CCCCOC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188505 642989209 /nfs/dbraw/zinc/98/92/09/642989209.db2.gz MNDOWHNGFDOSER-UHFFFAOYSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1CCCCN1 ZINC000843344398 643342926 /nfs/dbraw/zinc/34/29/26/643342926.db2.gz YYBXALKYEBPCJM-STQMWFEESA-N 2 1 227.396 1.626 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000234087563 643469669 /nfs/dbraw/zinc/46/96/69/643469669.db2.gz UZBAYJJIHPXVFN-WOPDTQHZSA-N 2 1 228.405 1.669 20 0 BDADMP CC[C@@H](C[NH2+]Cc1cc[nH]c(=O)c1)[NH+]1CCCC1 ZINC000921524939 643582077 /nfs/dbraw/zinc/58/20/77/643582077.db2.gz LQWGYZPDIMIVOV-ZDUSSCGKSA-N 2 1 249.358 1.751 20 0 BDADMP C[N@H+](CCn1cccn1)C1(C[NH3+])CCCCC1 ZINC000050088040 643592365 /nfs/dbraw/zinc/59/23/65/643592365.db2.gz FCZZEJSFBRTXNE-UHFFFAOYSA-N 2 1 236.363 1.477 20 0 BDADMP C[N@@H+](CCn1cccn1)C1(C[NH3+])CCCCC1 ZINC000050088040 643592373 /nfs/dbraw/zinc/59/23/73/643592373.db2.gz FCZZEJSFBRTXNE-UHFFFAOYSA-N 2 1 236.363 1.477 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921546964 643599894 /nfs/dbraw/zinc/59/98/94/643599894.db2.gz JWTLLRLTFMXEOL-GFCCVEGCSA-N 2 1 235.331 1.219 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000846219476 643648711 /nfs/dbraw/zinc/64/87/11/643648711.db2.gz BNLOUPDTWYZTDH-PBWFPOADSA-N 3 1 239.407 1.720 20 0 BDADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245058 643658127 /nfs/dbraw/zinc/65/81/27/643658127.db2.gz FAXYTJXQXFCFJC-LBPRGKRZSA-N 2 1 248.326 1.254 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000084385157 643659805 /nfs/dbraw/zinc/65/98/05/643659805.db2.gz TXHHLNRACUGQBC-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000050247655 643660638 /nfs/dbraw/zinc/66/06/38/643660638.db2.gz OMQCBWFGSZSZIK-NEPJUHHUSA-N 2 1 248.326 1.107 20 0 BDADMP C[C@@H](C[NH2+]Cc1cnn(CCF)c1)C[NH+](C)C ZINC000922140500 643872290 /nfs/dbraw/zinc/87/22/90/643872290.db2.gz QKSPTKSAIQKQJR-NSHDSACASA-N 2 1 242.342 1.140 20 0 BDADMP c1cncc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000929311366 644065962 /nfs/dbraw/zinc/06/59/62/644065962.db2.gz CFRGRFCYNABADN-OKILXGFUSA-N 2 1 231.343 1.165 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC000922722173 644076282 /nfs/dbraw/zinc/07/62/82/644076282.db2.gz NHAPNQBGKDMLBD-SCRDCRAPSA-N 2 1 236.359 1.261 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@H](C)C1)C[NH+](C)C ZINC000922758626 644088305 /nfs/dbraw/zinc/08/83/05/644088305.db2.gz YGOAOTRJEMCIAM-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP CCn1cnc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000923274583 644309890 /nfs/dbraw/zinc/30/98/90/644309890.db2.gz MHMDNTSKGNMRFW-UHFFFAOYSA-N 2 1 248.374 1.261 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000923279388 644312434 /nfs/dbraw/zinc/31/24/34/644312434.db2.gz NDDUJZBGXANQKP-IHRRRGAJSA-N 2 1 242.407 1.985 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000923279388 644312439 /nfs/dbraw/zinc/31/24/39/644312439.db2.gz NDDUJZBGXANQKP-IHRRRGAJSA-N 2 1 242.407 1.985 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923281373 644316183 /nfs/dbraw/zinc/31/61/83/644316183.db2.gz MVLPWXJQOUJOAQ-SNVBAGLBSA-N 2 1 223.320 1.326 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923281373 644316190 /nfs/dbraw/zinc/31/61/90/644316190.db2.gz MVLPWXJQOUJOAQ-SNVBAGLBSA-N 2 1 223.320 1.326 20 0 BDADMP CCOCCOCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923290529 644323522 /nfs/dbraw/zinc/32/35/22/644323522.db2.gz YNUBTKUYJKVDIE-CHWSQXEVSA-N 2 1 244.379 1.099 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923289793 644323909 /nfs/dbraw/zinc/32/39/09/644323909.db2.gz LZJFASCAHNUPAJ-RDBSUJKOSA-N 2 1 242.407 1.987 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299957 644326425 /nfs/dbraw/zinc/32/64/25/644326425.db2.gz KDELNESDAJMFBM-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP Cc1ccccc1C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923297196 644334923 /nfs/dbraw/zinc/33/49/23/644334923.db2.gz HAQPHLHHUMVVFN-IHRRRGAJSA-N 2 1 234.343 1.277 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306126 644339797 /nfs/dbraw/zinc/33/97/97/644339797.db2.gz QOZOTKLCPXFPMJ-RYUDHWBXSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312287 644341186 /nfs/dbraw/zinc/34/11/86/644341186.db2.gz DCGHZNKEAQFFPT-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312286 644341861 /nfs/dbraw/zinc/34/18/61/644341861.db2.gz DCGHZNKEAQFFPT-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315966 644343074 /nfs/dbraw/zinc/34/30/74/644343074.db2.gz AEVARYZDGBIKRR-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923318830 644343883 /nfs/dbraw/zinc/34/38/83/644343883.db2.gz PJUPSHDVORQCAC-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CO[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923318830 644343879 /nfs/dbraw/zinc/34/38/79/644343879.db2.gz PJUPSHDVORQCAC-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923318844 644344655 /nfs/dbraw/zinc/34/46/55/644344655.db2.gz PQARCFBUTKXXRS-NEPJUHHUSA-N 2 1 224.348 1.097 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000923331336 644346966 /nfs/dbraw/zinc/34/69/66/644346966.db2.gz FYIHATPMNQEJSM-WCQGTBRESA-N 2 1 235.331 1.406 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000923331336 644346972 /nfs/dbraw/zinc/34/69/72/644346972.db2.gz FYIHATPMNQEJSM-WCQGTBRESA-N 2 1 235.331 1.406 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310212 644347646 /nfs/dbraw/zinc/34/76/46/644347646.db2.gz ZBWRMVLXWYXFIX-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]CCC1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923327239 644351537 /nfs/dbraw/zinc/35/15/37/644351537.db2.gz MEQBPXKSHFYLRQ-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP c1nc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)c[nH]1 ZINC000923324896 644352040 /nfs/dbraw/zinc/35/20/40/644352040.db2.gz NCJLPBJXJOYEOC-UHFFFAOYSA-N 2 1 248.374 1.731 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923321649 644352656 /nfs/dbraw/zinc/35/26/56/644352656.db2.gz HLOQPJAFKIKTFG-GFCCVEGCSA-N 2 1 248.374 1.731 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923321649 644352661 /nfs/dbraw/zinc/35/26/61/644352661.db2.gz HLOQPJAFKIKTFG-GFCCVEGCSA-N 2 1 248.374 1.731 20 0 BDADMP Cn1cc([C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)cn1 ZINC000923325273 644352771 /nfs/dbraw/zinc/35/27/71/644352771.db2.gz SQNZFYLUBWPJNM-LBPRGKRZSA-N 2 1 248.374 1.352 20 0 BDADMP CC[N@@H+](C[C@@H](O)CSC)[C@@H]1CCC[NH2+]CC1 ZINC000923336143 644356745 /nfs/dbraw/zinc/35/67/45/644356745.db2.gz QMCKFQBAJLFPQI-VXGBXAGGSA-N 2 1 246.420 1.174 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331550 644361380 /nfs/dbraw/zinc/36/13/80/644361380.db2.gz LSTZHZUYELFSSK-ZIAGYGMSSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923357943 644366616 /nfs/dbraw/zinc/36/66/16/644366616.db2.gz BMACFMBLMPQTSR-IHRRRGAJSA-N 2 1 240.391 1.467 20 0 BDADMP CCOCCOCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923352369 644369973 /nfs/dbraw/zinc/36/99/73/644369973.db2.gz DHCGNIVZTSGONR-CYBMUJFWSA-N 2 1 244.379 1.243 20 0 BDADMP C[N@H+](C[C@H](O)Cc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000923355699 644372249 /nfs/dbraw/zinc/37/22/49/644372249.db2.gz AOPFWJKOEMYAAO-HUUCEWRRSA-N 2 1 248.370 1.259 20 0 BDADMP C[N@@H+](C[C@H](O)Cc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000923355699 644372253 /nfs/dbraw/zinc/37/22/53/644372253.db2.gz AOPFWJKOEMYAAO-HUUCEWRRSA-N 2 1 248.370 1.259 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923360328 644384808 /nfs/dbraw/zinc/38/48/08/644384808.db2.gz ZZXBQIMSCGUNLP-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376300 644391833 /nfs/dbraw/zinc/39/18/33/644391833.db2.gz KSJGFIQKHKKEEC-YNEHKIRRSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H](O)c1ccc(C)cc1 ZINC000923380197 644394097 /nfs/dbraw/zinc/39/40/97/644394097.db2.gz WCRNKZDQWJMLEE-CQSZACIVSA-N 2 1 236.359 1.570 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)c1ccc(C)cc1 ZINC000923380197 644394104 /nfs/dbraw/zinc/39/41/04/644394104.db2.gz WCRNKZDQWJMLEE-CQSZACIVSA-N 2 1 236.359 1.570 20 0 BDADMP C[C@@]12COC[C@H]1C[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923387250 644398713 /nfs/dbraw/zinc/39/87/13/644398713.db2.gz CFQUHOJBGAPJHY-DGCLKSJQSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000923393291 644402658 /nfs/dbraw/zinc/40/26/58/644402658.db2.gz OBIGSSRMDYBPJQ-BPLDGKMQSA-N 2 1 248.370 1.402 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCc1cccc(F)c1 ZINC000923403471 644406901 /nfs/dbraw/zinc/40/69/01/644406901.db2.gz QMRKDARIXRNQML-UHFFFAOYSA-N 2 1 240.322 1.275 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923415892 644408555 /nfs/dbraw/zinc/40/85/55/644408555.db2.gz SDVPVGZCWWXWIN-ZYHUDNBSSA-N 2 1 214.353 1.064 20 0 BDADMP CCOCCOCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000923416232 644409280 /nfs/dbraw/zinc/40/92/80/644409280.db2.gz UUPDXZQYXLQUAL-UHFFFAOYSA-N 2 1 244.379 1.113 20 0 BDADMP CCOCCOCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000923416232 644409282 /nfs/dbraw/zinc/40/92/82/644409282.db2.gz UUPDXZQYXLQUAL-UHFFFAOYSA-N 2 1 244.379 1.113 20 0 BDADMP CSC[C@H](O)C[N@@H+](C)CCCCCC[NH3+] ZINC000923428574 644421615 /nfs/dbraw/zinc/42/16/15/644421615.db2.gz XZPPRSGTLNOEOF-LLVKDONJSA-N 2 1 234.409 1.161 20 0 BDADMP COCC[C@@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923457846 644437213 /nfs/dbraw/zinc/43/72/13/644437213.db2.gz MYTXWSOALJDKHS-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923457846 644437215 /nfs/dbraw/zinc/43/72/15/644437215.db2.gz MYTXWSOALJDKHS-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000085438568 644441255 /nfs/dbraw/zinc/44/12/55/644441255.db2.gz LYFCQRGHXBQHMA-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP CCC[C@H](C)CCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923461528 644446122 /nfs/dbraw/zinc/44/61/22/644446122.db2.gz YHBFPRWFCIFHKD-AWEZNQCLSA-N 2 1 241.423 1.698 20 0 BDADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)on1 ZINC000085869841 644451108 /nfs/dbraw/zinc/45/11/08/644451108.db2.gz ZIUOULWDANTASN-UHFFFAOYSA-N 2 1 223.320 1.685 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923483537 644458652 /nfs/dbraw/zinc/45/86/52/644458652.db2.gz BQSOALZRIBUBBG-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000086189422 644459627 /nfs/dbraw/zinc/45/96/27/644459627.db2.gz AEJVRHKJTCPYMA-ZDUSSCGKSA-N 2 1 227.396 1.532 20 0 BDADMP CN(CCCCCC[NH3+])C[C@@H]1CCC[N@@H+]1C ZINC000086189422 644459632 /nfs/dbraw/zinc/45/96/32/644459632.db2.gz AEJVRHKJTCPYMA-ZDUSSCGKSA-N 2 1 227.396 1.532 20 0 BDADMP CN(CCCCCC[NH3+])C[C@@H]1CCC[N@H+]1C ZINC000086189422 644459636 /nfs/dbraw/zinc/45/96/36/644459636.db2.gz AEJVRHKJTCPYMA-ZDUSSCGKSA-N 2 1 227.396 1.532 20 0 BDADMP COCCCCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481311 644460167 /nfs/dbraw/zinc/46/01/67/644460167.db2.gz ITLCSWKLZSHPTC-LBPRGKRZSA-N 2 1 214.353 1.474 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C1CCCC1 ZINC000923481343 644460350 /nfs/dbraw/zinc/46/03/50/644460350.db2.gz QKJULEDYNNTYRY-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923489799 644465774 /nfs/dbraw/zinc/46/57/74/644465774.db2.gz LCHSPWCCKRFWQT-KWCYVHTRSA-N 2 1 240.391 1.718 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923492132 644467587 /nfs/dbraw/zinc/46/75/87/644467587.db2.gz WFECFTXNQIEJHZ-YPMHNXCESA-N 2 1 249.358 1.507 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923491939 644468178 /nfs/dbraw/zinc/46/81/78/644468178.db2.gz VIAKSFPDYTWUKP-IGJPJIBNSA-N 2 1 226.364 1.328 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923492130 644468201 /nfs/dbraw/zinc/46/82/01/644468201.db2.gz WFECFTXNQIEJHZ-DGCLKSJQSA-N 2 1 249.358 1.507 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1C[NH3+] ZINC000923496924 644471305 /nfs/dbraw/zinc/47/13/05/644471305.db2.gz CRCDCKUOODEQQP-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923500302 644471860 /nfs/dbraw/zinc/47/18/60/644471860.db2.gz NHVRKPULMVTGSL-KOLCDFICSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499706 644472194 /nfs/dbraw/zinc/47/21/94/644472194.db2.gz LLGJXFRMBOFOHX-RDBSUJKOSA-N 3 1 239.407 1.293 20 0 BDADMP CCc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923499451 644474267 /nfs/dbraw/zinc/47/42/67/644474267.db2.gz KXOPQQIMSMXOOE-QWRGUYRKSA-N 2 1 237.347 1.654 20 0 BDADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518383 644484004 /nfs/dbraw/zinc/48/40/04/644484004.db2.gz DQWSSGZQJQVREB-NIFZNCRKSA-N 2 1 234.387 1.964 20 0 BDADMP CCc1nocc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522657 644488132 /nfs/dbraw/zinc/48/81/32/644488132.db2.gz XFXIZEWGAOAERV-WDEREUQCSA-N 2 1 235.331 1.278 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522657 644488137 /nfs/dbraw/zinc/48/81/37/644488137.db2.gz XFXIZEWGAOAERV-WDEREUQCSA-N 2 1 235.331 1.278 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000923532281 644489818 /nfs/dbraw/zinc/48/98/18/644489818.db2.gz AHPBJRCXQFUAGP-ZIAGYGMSSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000923532281 644489826 /nfs/dbraw/zinc/48/98/26/644489826.db2.gz AHPBJRCXQFUAGP-ZIAGYGMSSA-N 3 1 237.391 1.204 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(=O)[nH]1 ZINC000923554089 644494713 /nfs/dbraw/zinc/49/47/13/644494713.db2.gz MLVIBALJSUDZKM-LBPRGKRZSA-N 2 1 249.358 1.609 20 0 BDADMP CNc1cc(NCC(C)(C)[NH+](C)C)nc[nH+]1 ZINC000087824739 644504385 /nfs/dbraw/zinc/50/43/85/644504385.db2.gz SFPYSKKFMGTAAV-UHFFFAOYSA-N 2 1 223.324 1.270 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1NCC[NH+]1CCCCC1 ZINC000089145774 644535733 /nfs/dbraw/zinc/53/57/33/644535733.db2.gz KCCMDXPJTQCAIL-UONOGXRCSA-N 2 1 239.407 1.579 20 0 BDADMP CCN(CC)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846493 644640569 /nfs/dbraw/zinc/64/05/69/644640569.db2.gz VFYOKZJHKGNEQG-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)CC[NH2+]C(C)(C)C ZINC000092627551 644664514 /nfs/dbraw/zinc/66/45/14/644664514.db2.gz MXUPCKRRXZDVED-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC=CO2)C1 ZINC000248909573 644704879 /nfs/dbraw/zinc/70/48/79/644704879.db2.gz QKKXXJHZRMAVNK-ZIAGYGMSSA-N 2 1 238.375 1.953 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000248909573 644704882 /nfs/dbraw/zinc/70/48/82/644704882.db2.gz QKKXXJHZRMAVNK-ZIAGYGMSSA-N 2 1 238.375 1.953 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248909573 644704885 /nfs/dbraw/zinc/70/48/85/644704885.db2.gz QKKXXJHZRMAVNK-ZIAGYGMSSA-N 2 1 238.375 1.953 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCC=CO1 ZINC000249036378 644709320 /nfs/dbraw/zinc/70/93/20/644709320.db2.gz STIUSWUQRMWNKH-ZIAGYGMSSA-N 2 1 238.375 1.953 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CCC=CO1 ZINC000249036378 644709327 /nfs/dbraw/zinc/70/93/27/644709327.db2.gz STIUSWUQRMWNKH-ZIAGYGMSSA-N 2 1 238.375 1.953 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CCC=CO1 ZINC000249036378 644709335 /nfs/dbraw/zinc/70/93/35/644709335.db2.gz STIUSWUQRMWNKH-ZIAGYGMSSA-N 2 1 238.375 1.953 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCCO1 ZINC000249837575 644742288 /nfs/dbraw/zinc/74/22/88/644742288.db2.gz RIPSMSLPXUPCCK-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP OC[C@]12C[C@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000782602299 644742952 /nfs/dbraw/zinc/74/29/52/644742952.db2.gz BOYOWEAKERUAFF-UONOGXRCSA-N 2 1 238.375 1.177 20 0 BDADMP OC[C@]12C[C@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000782602299 644742957 /nfs/dbraw/zinc/74/29/57/644742957.db2.gz BOYOWEAKERUAFF-UONOGXRCSA-N 2 1 238.375 1.177 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250017270 644745923 /nfs/dbraw/zinc/74/59/23/644745923.db2.gz XEBRFTRJTHTDMR-QNMSZWNNSA-N 2 1 238.375 1.770 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCO1 ZINC000250714636 644776235 /nfs/dbraw/zinc/77/62/35/644776235.db2.gz GWISWGPXPDECLT-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CC[C@H]1CCCO1 ZINC000250714636 644776238 /nfs/dbraw/zinc/77/62/38/644776238.db2.gz GWISWGPXPDECLT-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251285497 644801170 /nfs/dbraw/zinc/80/11/70/644801170.db2.gz NBUHZLGPWAINLL-RDBSUJKOSA-N 2 1 237.391 1.202 20 0 BDADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251285497 644801172 /nfs/dbraw/zinc/80/11/72/644801172.db2.gz NBUHZLGPWAINLL-RDBSUJKOSA-N 3 1 237.391 1.202 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251285497 644801175 /nfs/dbraw/zinc/80/11/75/644801175.db2.gz NBUHZLGPWAINLL-RDBSUJKOSA-N 3 1 237.391 1.202 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251857328 644828625 /nfs/dbraw/zinc/82/86/25/644828625.db2.gz SKOPBCDZCMFLMP-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1cccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000252556252 644865089 /nfs/dbraw/zinc/86/50/89/644865089.db2.gz SSXWEFWJQSZLKR-QWHCGFSZSA-N 2 1 247.342 1.665 20 0 BDADMP Cc1cccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000252556252 644865093 /nfs/dbraw/zinc/86/50/93/644865093.db2.gz SSXWEFWJQSZLKR-QWHCGFSZSA-N 2 1 247.342 1.665 20 0 BDADMP C[C@@H](O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252746064 644897446 /nfs/dbraw/zinc/89/74/46/644897446.db2.gz BDUTZANBONMRHU-GJHMDTBVSA-N 2 1 226.364 1.361 20 0 BDADMP COCCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000252841236 644913144 /nfs/dbraw/zinc/91/31/44/644913144.db2.gz DDGNSIMMAZUSSF-NEPJUHHUSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843129628 645266461 /nfs/dbraw/zinc/26/64/61/645266461.db2.gz QTZOXYBDHFIIGX-NEPJUHHUSA-N 3 1 213.369 1.093 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1Cl ZINC000843129622 645266471 /nfs/dbraw/zinc/26/64/71/645266471.db2.gz QPIQARUMBVBRAN-BDAKNGLRSA-N 2 1 227.739 1.950 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1Cl ZINC000843129624 645267593 /nfs/dbraw/zinc/26/75/93/645267593.db2.gz QPIQARUMBVBRAN-IUCAKERBSA-N 2 1 227.739 1.950 20 0 BDADMP c1ccc([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000843388774 645289290 /nfs/dbraw/zinc/28/92/90/645289290.db2.gz FJRJJQUHMWEWQK-STQMWFEESA-N 2 1 231.343 1.480 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000926573767 645292702 /nfs/dbraw/zinc/29/27/02/645292702.db2.gz PNZBZOLUZRJCFZ-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC12CC2 ZINC000926619068 645320087 /nfs/dbraw/zinc/32/00/87/645320087.db2.gz WVUQWHGLKHCTIH-FBTJUVTCSA-N 2 1 206.333 1.469 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000926646311 645331949 /nfs/dbraw/zinc/33/19/49/645331949.db2.gz XNALEVMXMKCSRI-MELADBBJSA-N 2 1 242.407 1.977 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH+]1C ZINC000930162157 645533909 /nfs/dbraw/zinc/53/39/09/645533909.db2.gz NGTRDOBUJWEZMB-RWMBFGLXSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C[C@H]1CCC[N@@H+]1C ZINC000930162157 645533918 /nfs/dbraw/zinc/53/39/18/645533918.db2.gz NGTRDOBUJWEZMB-RWMBFGLXSA-N 2 1 225.380 1.105 20 0 BDADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C[C@H]1CCC[N@H+]1C ZINC000930162157 645533928 /nfs/dbraw/zinc/53/39/28/645533928.db2.gz NGTRDOBUJWEZMB-RWMBFGLXSA-N 2 1 225.380 1.105 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnc(F)c1 ZINC000858117340 645670947 /nfs/dbraw/zinc/67/09/47/645670947.db2.gz KQRSLAYUUORBHH-UHFFFAOYSA-N 2 1 234.278 1.515 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925494016 645727471 /nfs/dbraw/zinc/72/74/71/645727471.db2.gz NHLUXYQMENSXIO-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@H]1CC2(CC([NH2+]C3CC[NH+](C)CC3)C2)CO1 ZINC000924575853 646072446 /nfs/dbraw/zinc/07/24/46/646072446.db2.gz ORNRQSKQPLMXLR-XGNXJENSSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)CO ZINC000924593456 646075270 /nfs/dbraw/zinc/07/52/70/646075270.db2.gz YTZVDIXNNXDLFI-LLVKDONJSA-N 2 1 240.391 1.610 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000924652530 646086111 /nfs/dbraw/zinc/08/61/11/646086111.db2.gz AXLIOFXKLKJWSS-WDNDVIMCSA-N 2 1 242.407 1.979 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nccs1 ZINC000924730499 646097948 /nfs/dbraw/zinc/09/79/48/646097948.db2.gz SVHANQMFNFHZOL-DHHPTOIESA-N 2 1 237.372 1.573 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nccs1 ZINC000924730499 646097956 /nfs/dbraw/zinc/09/79/56/646097956.db2.gz SVHANQMFNFHZOL-DHHPTOIESA-N 2 1 237.372 1.573 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCOCC1 ZINC000924882639 646122953 /nfs/dbraw/zinc/12/29/53/646122953.db2.gz REOLEEWMNMBCRD-PBWFPOADSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH+]3C[C@@H]2CCC3)CC[N@H+]1C ZINC000925140513 646192728 /nfs/dbraw/zinc/19/27/28/646192728.db2.gz JTZOTRJTSATMCK-ZOBORPQBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2C[N@H+]3C[C@@H]2CCC3)CC[NH+]1C ZINC000925140513 646192741 /nfs/dbraw/zinc/19/27/41/646192741.db2.gz JTZOTRJTSATMCK-ZOBORPQBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CN3C[C@@H]2CCC3)CCN1C ZINC000925140513 646192745 /nfs/dbraw/zinc/19/27/45/646192745.db2.gz JTZOTRJTSATMCK-ZOBORPQBSA-N 2 1 237.391 1.153 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOC2CC2)C1 ZINC000929637435 646215766 /nfs/dbraw/zinc/21/57/66/646215766.db2.gz IHTJTLYOAQPYHI-NSHDSACASA-N 2 1 212.337 1.049 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000929750228 646281859 /nfs/dbraw/zinc/28/18/59/646281859.db2.gz SXVPIRORITUQIQ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP Cn1ccnc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925479993 646291594 /nfs/dbraw/zinc/29/15/94/646291594.db2.gz UHHQLDXJXXFTSI-GHMZBOCLSA-N 2 1 236.363 1.416 20 0 BDADMP CCc1cc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)[nH]n1 ZINC000925487789 646299464 /nfs/dbraw/zinc/29/94/64/646299464.db2.gz FPSLKUYXSXYTFS-VXGBXAGGSA-N 2 1 234.347 1.332 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)[nH]n1 ZINC000925487789 646299467 /nfs/dbraw/zinc/29/94/67/646299467.db2.gz FPSLKUYXSXYTFS-VXGBXAGGSA-N 2 1 234.347 1.332 20 0 BDADMP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925500364 646303682 /nfs/dbraw/zinc/30/36/82/646303682.db2.gz DQHKORJYLIZSNL-QJPTWQEYSA-N 2 1 224.348 1.164 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCCO1 ZINC000925503161 646306722 /nfs/dbraw/zinc/30/67/22/646306722.db2.gz NJIOMJVTLYEUQH-VXGBXAGGSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2(C)C)CC[N@H+]1C ZINC000925519596 646313668 /nfs/dbraw/zinc/31/36/68/646313668.db2.gz UVGZGFQSKJZRTO-GRYCIOLGSA-N 2 1 225.380 1.199 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925527136 646317019 /nfs/dbraw/zinc/31/70/19/646317019.db2.gz MCDVQJGDYJUJQY-GHMZBOCLSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925553422 646328395 /nfs/dbraw/zinc/32/83/95/646328395.db2.gz RHYXSSPCLPPLBQ-RAIGVLPGSA-N 2 1 237.391 1.199 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCc1nccs1 ZINC000925568344 646338548 /nfs/dbraw/zinc/33/85/48/646338548.db2.gz JRTUGOOCJURSAP-JTQLQIEISA-N 2 1 239.388 1.806 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925574749 646341210 /nfs/dbraw/zinc/34/12/10/646341210.db2.gz DFAFBZDLSOGOKI-NWDGAFQWSA-N 2 1 227.396 1.447 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925579348 646344990 /nfs/dbraw/zinc/34/49/90/646344990.db2.gz DHSPGPSAYPRQNX-NEPJUHHUSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925621837 646367953 /nfs/dbraw/zinc/36/79/53/646367953.db2.gz GZAVALVXRJSMKU-VXGBXAGGSA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925633055 646377882 /nfs/dbraw/zinc/37/78/82/646377882.db2.gz CCOXESYDMVVGKP-AVGNSLFASA-N 2 1 240.391 1.514 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000925641776 646384144 /nfs/dbraw/zinc/38/41/44/646384144.db2.gz BLOTUTXRHYAIHX-QNWHQSFQSA-N 2 1 226.364 1.268 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H](O)C(C)C ZINC000925694438 646419828 /nfs/dbraw/zinc/41/98/28/646419828.db2.gz WMGNUZQGKRIBMW-XQQFMLRXSA-N 2 1 240.391 1.656 20 0 BDADMP C1[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C12CC[NH2+]CC2 ZINC000925709662 646434787 /nfs/dbraw/zinc/43/47/87/646434787.db2.gz PIIILGFYSFSWKI-QWHCGFSZSA-N 3 1 249.402 1.393 20 0 BDADMP C1[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C12CC[NH2+]CC2 ZINC000925709661 646435096 /nfs/dbraw/zinc/43/50/96/646435096.db2.gz PIIILGFYSFSWKI-OLZOCXBDSA-N 3 1 249.402 1.393 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000925709338 646435203 /nfs/dbraw/zinc/43/52/03/646435203.db2.gz VBMZZLFDBIOYFH-TUAOUCFPSA-N 2 1 208.349 1.905 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C12CCC2 ZINC000925724932 646450824 /nfs/dbraw/zinc/45/08/24/646450824.db2.gz FUVCYXKFYAEVIC-FDYHWXHSSA-N 2 1 237.391 1.363 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000925729720 646453721 /nfs/dbraw/zinc/45/37/21/646453721.db2.gz LINQJXVRBRBBME-ZUWCUPBKSA-N 2 1 238.375 1.674 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000925731160 646454241 /nfs/dbraw/zinc/45/42/41/646454241.db2.gz SGVPUYWRJWJQQB-VOAKCMCISA-N 2 1 238.375 1.674 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925737430 646460551 /nfs/dbraw/zinc/46/05/51/646460551.db2.gz IKECIMAMJSVSOP-VIFPVBQESA-N 2 1 222.336 1.563 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925736959 646461180 /nfs/dbraw/zinc/46/11/80/646461180.db2.gz LWUOPWINXIXCQT-MNOVXSKESA-N 3 1 227.396 1.609 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCCN1 ZINC000925798368 646487083 /nfs/dbraw/zinc/48/70/83/646487083.db2.gz WHQUBJLHBFAPHB-SYQHCUMBSA-N 2 1 239.407 1.352 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC000925814967 646491751 /nfs/dbraw/zinc/49/17/51/646491751.db2.gz ROOWCPPSTQPASC-RHYQMDGZSA-N 2 1 235.331 1.211 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CO[C@H]1C ZINC000925814965 646492827 /nfs/dbraw/zinc/49/28/27/646492827.db2.gz ROOWCPPSTQPASC-BJDJZHNGSA-N 2 1 235.331 1.211 20 0 BDADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)C1CC1 ZINC000925849000 646510159 /nfs/dbraw/zinc/51/01/59/646510159.db2.gz MRKBHNJKVMLBQA-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925855806 646511688 /nfs/dbraw/zinc/51/16/88/646511688.db2.gz ICVKUIQIZDEOFG-QWRGUYRKSA-N 2 1 214.353 1.268 20 0 BDADMP Cn1nc(C2CC2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000925872846 646524479 /nfs/dbraw/zinc/52/44/79/646524479.db2.gz AOKLZTNEEOGBPN-UHFFFAOYSA-N 2 1 234.347 1.139 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC(F)F ZINC000926369182 646628548 /nfs/dbraw/zinc/62/85/48/646628548.db2.gz BNZDRQUDEPVZSH-ZACCUICWSA-N 2 1 248.317 1.546 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCO)C[C@H]1CC[NH3+] ZINC000723908425 711544553 /nfs/dbraw/zinc/54/45/53/711544553.db2.gz SDWSMQUXSJODQZ-CHWSQXEVSA-N 2 1 228.380 1.456 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000723887381 711543092 /nfs/dbraw/zinc/54/30/92/711543092.db2.gz TVIZGIKAANGAFK-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP COc1ccc(CC[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000083827526 711810439 /nfs/dbraw/zinc/81/04/39/711810439.db2.gz PDPHJWVBSLDKHC-NSHDSACASA-N 2 1 222.332 1.517 20 0 BDADMP COc1ccc(CC[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000083827526 711810440 /nfs/dbraw/zinc/81/04/40/711810440.db2.gz PDPHJWVBSLDKHC-NSHDSACASA-N 2 1 222.332 1.517 20 0 BDADMP COC[C@@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000721912119 711917535 /nfs/dbraw/zinc/91/75/35/711917535.db2.gz BRFNORQOJDDKKV-UPJWGTAASA-N 2 1 226.364 1.199 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000721912119 711917536 /nfs/dbraw/zinc/91/75/36/711917536.db2.gz BRFNORQOJDDKKV-UPJWGTAASA-N 2 1 226.364 1.199 20 0 BDADMP COC[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000721916608 711918991 /nfs/dbraw/zinc/91/89/91/711918991.db2.gz YZBWPSLYBJWGAH-FRRDWIJNSA-N 2 1 226.364 1.056 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000721918290 711919668 /nfs/dbraw/zinc/91/96/68/711919668.db2.gz DCRXZPULRQKHLJ-KKOKHZNYSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H]1SCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000132493534 711960043 /nfs/dbraw/zinc/96/00/43/711960043.db2.gz VDWSSWFMUQSKJH-QCNOEVLYSA-N 2 1 228.405 1.940 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000700640060 712001327 /nfs/dbraw/zinc/00/13/27/712001327.db2.gz MCMPZTCREJDWLI-JTQLQIEISA-N 2 1 239.750 1.906 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000701715283 712028041 /nfs/dbraw/zinc/02/80/41/712028041.db2.gz JALCJDORYKTVDB-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)CC[N@@H+]1C ZINC000703018636 712065446 /nfs/dbraw/zinc/06/54/46/712065446.db2.gz YIBSFZMXQKALDG-ZIHBUVQPSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)CC[N@H+]1C ZINC000703018636 712065448 /nfs/dbraw/zinc/06/54/48/712065448.db2.gz YIBSFZMXQKALDG-ZIHBUVQPSA-N 2 1 240.391 1.752 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)C3CC3)C[C@@]2(C)C1 ZINC000705664242 712135043 /nfs/dbraw/zinc/13/50/43/712135043.db2.gz YCMBUBVWHXPBQL-BFHYXJOUSA-N 2 1 238.375 1.031 20 0 BDADMP CC(C)[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705666309 712135214 /nfs/dbraw/zinc/13/52/14/712135214.db2.gz GOLJDRKHKJKUEB-MGPQQGTHSA-N 2 1 240.391 1.277 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000708187119 712184190 /nfs/dbraw/zinc/18/41/90/712184190.db2.gz RAUAFXILIJPDJH-KXNHARMFSA-N 2 1 212.337 1.081 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708269467 712184942 /nfs/dbraw/zinc/18/49/42/712184942.db2.gz DBAQUMADIGJCOF-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000708323451 712187259 /nfs/dbraw/zinc/18/72/59/712187259.db2.gz NBRMOURLRDHOKP-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708332113 712188153 /nfs/dbraw/zinc/18/81/53/712188153.db2.gz PHLCUMQOWMGDJD-AGIUHOORSA-N 2 1 240.391 1.861 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000708341336 712189440 /nfs/dbraw/zinc/18/94/40/712189440.db2.gz RTXCRTWXVFGUII-WDEREUQCSA-N 2 1 212.337 1.082 20 0 BDADMP CO[C@H]1COCC[C@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000710724463 712255608 /nfs/dbraw/zinc/25/56/08/712255608.db2.gz MHAGBLGRBWGSOY-OLZOCXBDSA-N 2 1 244.379 1.241 20 0 BDADMP CC[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710749605 712255781 /nfs/dbraw/zinc/25/57/81/712255781.db2.gz IVNJTSSUFNTOCL-GFCCVEGCSA-N 2 1 243.395 1.352 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000711247445 712291204 /nfs/dbraw/zinc/29/12/04/712291204.db2.gz FENXEABNHOXQMS-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOC2CC2)[C@H]1C ZINC000711784643 712330026 /nfs/dbraw/zinc/33/00/26/712330026.db2.gz GFQTVMSJKWXAFC-GRYCIOLGSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOC2CC2)[C@H]1C ZINC000711784643 712330029 /nfs/dbraw/zinc/33/00/29/712330029.db2.gz GFQTVMSJKWXAFC-GRYCIOLGSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480139 712334194 /nfs/dbraw/zinc/33/41/94/712334194.db2.gz VWCMDEKYEYYJNW-CHWSQXEVSA-N 2 1 228.380 1.454 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000923479856 712334304 /nfs/dbraw/zinc/33/43/04/712334304.db2.gz DPDKCTKNWHPBDK-CQSZACIVSA-N 3 1 239.407 1.437 20 0 BDADMP C[N@H+]1CCN(C(=O)CC(C)(C)[NH3+])CCC1(C)C ZINC000712667715 712439801 /nfs/dbraw/zinc/43/98/01/712439801.db2.gz CHPDRBSEFDWRMP-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713588930 712466205 /nfs/dbraw/zinc/46/62/05/712466205.db2.gz YGWQFHOKMFDBJT-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP CCC1([NH3+])CC[NH+](Cc2cccnc2)CC1 ZINC000714758037 712497720 /nfs/dbraw/zinc/49/77/20/712497720.db2.gz QZRYCGJZWQTAAW-UHFFFAOYSA-N 2 1 219.332 1.785 20 0 BDADMP C[C@]1(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCC[NH2+]C1 ZINC000715524522 712525640 /nfs/dbraw/zinc/52/56/40/712525640.db2.gz XFFHEEIHUUOVRF-AXFHLTTASA-N 2 1 230.302 1.573 20 0 BDADMP C[C@]1(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCC[NH2+]C1 ZINC000715524522 712525642 /nfs/dbraw/zinc/52/56/42/712525642.db2.gz XFFHEEIHUUOVRF-AXFHLTTASA-N 2 1 230.302 1.573 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(N)n1 ZINC000221241252 712658830 /nfs/dbraw/zinc/65/88/30/712658830.db2.gz VUGYCKOODKSNNW-JTQLQIEISA-N 2 1 237.351 1.509 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000389731213 712690332 /nfs/dbraw/zinc/69/03/32/712690332.db2.gz PSXKJRFHWSNDOB-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000389731213 712690334 /nfs/dbraw/zinc/69/03/34/712690334.db2.gz PSXKJRFHWSNDOB-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC1(C)CC[C@H]1[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926421947 712709769 /nfs/dbraw/zinc/70/97/69/712709769.db2.gz QILQBAFZCHKLFT-SDDRHHMPSA-N 2 1 208.349 1.859 20 0 BDADMP CC1(C)CC[C@H]1[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926421947 712709772 /nfs/dbraw/zinc/70/97/72/712709772.db2.gz QILQBAFZCHKLFT-SDDRHHMPSA-N 2 1 208.349 1.859 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000381398977 710631595 /nfs/dbraw/zinc/63/15/95/710631595.db2.gz AXONPQBPSJBEQI-FIYWTHMPSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380462070 712901060 /nfs/dbraw/zinc/90/10/60/712901060.db2.gz JMCQHECZJZRISC-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380462070 712901061 /nfs/dbraw/zinc/90/10/61/712901061.db2.gz JMCQHECZJZRISC-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000382056252 710769260 /nfs/dbraw/zinc/76/92/60/710769260.db2.gz BOKQLDPGRBMCSZ-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)o1 ZINC000382161810 710800728 /nfs/dbraw/zinc/80/07/28/710800728.db2.gz COSJJBGRLGGGRF-GZMMTYOYSA-N 2 1 223.320 1.603 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)o1 ZINC000382161810 710800731 /nfs/dbraw/zinc/80/07/31/710800731.db2.gz COSJJBGRLGGGRF-GZMMTYOYSA-N 2 1 223.320 1.603 20 0 BDADMP COCCCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396706088 710907695 /nfs/dbraw/zinc/90/76/95/710907695.db2.gz ORPBEBGJVAWABG-VXGBXAGGSA-N 2 1 214.353 1.533 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000399117505 710914172 /nfs/dbraw/zinc/91/41/72/710914172.db2.gz NFMCSEHGNDHODF-FVCCEPFGSA-N 2 1 210.365 1.962 20 0 BDADMP CO[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383787719 710931628 /nfs/dbraw/zinc/93/16/28/710931628.db2.gz QKWKSNPTYIIMDG-KBPBESRZSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000133072271 710967961 /nfs/dbraw/zinc/96/79/61/710967961.db2.gz DPEXAQLYRZTICS-GRYCIOLGSA-N 2 1 228.405 1.941 20 0 BDADMP COc1ccc(C[NH2+]C2CC([NH3+])C2)c(OC)c1 ZINC000133283390 710969795 /nfs/dbraw/zinc/96/97/95/710969795.db2.gz JDMZNWFIBNNDEP-UHFFFAOYSA-N 2 1 236.315 1.283 20 0 BDADMP CC1(C)CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000389218698 711073394 /nfs/dbraw/zinc/07/33/94/711073394.db2.gz LZJZPBFLPRQMSZ-QMMMGPOBSA-N 2 1 206.280 1.843 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000389218698 711073398 /nfs/dbraw/zinc/07/33/98/711073398.db2.gz LZJZPBFLPRQMSZ-QMMMGPOBSA-N 2 1 206.280 1.843 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)C1 ZINC000389239198 711074381 /nfs/dbraw/zinc/07/43/81/711074381.db2.gz XMCPFFMRQXNANY-IWSPIJDZSA-N 2 1 206.280 1.747 20 0 BDADMP CC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000390446230 711118010 /nfs/dbraw/zinc/11/80/10/711118010.db2.gz XRNPZOMWPCLJAR-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000390446230 711118012 /nfs/dbraw/zinc/11/80/12/711118012.db2.gz XRNPZOMWPCLJAR-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000390777562 711133295 /nfs/dbraw/zinc/13/32/95/711133295.db2.gz GOTDNDRHKRSCBQ-UHFFFAOYSA-N 2 1 208.349 1.862 20 0 BDADMP O=c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc[nH]1 ZINC000392764680 711152583 /nfs/dbraw/zinc/15/25/83/711152583.db2.gz RWTDYSUTUSKSMU-QWHCGFSZSA-N 2 1 247.342 1.504 20 0 BDADMP CSC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396621879 711361237 /nfs/dbraw/zinc/36/12/37/711361237.db2.gz DNTVEFBQVCVXPY-VHSXEESVSA-N 2 1 214.378 1.612 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396604389 711354933 /nfs/dbraw/zinc/35/49/33/711354933.db2.gz IDORMOVTWPUDCJ-NWDGAFQWSA-N 2 1 228.380 1.515 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCOCC1 ZINC000396611745 711355055 /nfs/dbraw/zinc/35/50/55/711355055.db2.gz RCVPPPBLOSLYHS-ZYHUDNBSSA-N 2 1 212.337 1.143 20 0 BDADMP CCOCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396579214 711357366 /nfs/dbraw/zinc/35/73/66/711357366.db2.gz ONUPWWFJCMVXKD-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP COCCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396580106 711357665 /nfs/dbraw/zinc/35/76/65/711357665.db2.gz FAQYQUOZNONOTB-NEPJUHHUSA-N 2 1 226.364 1.533 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396588918 711357862 /nfs/dbraw/zinc/35/78/62/711357862.db2.gz VYXBNDPJFOLIBZ-LPEHRKFASA-N 2 1 202.367 1.468 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396594436 711359391 /nfs/dbraw/zinc/35/93/91/711359391.db2.gz DSGDQLDOXJCSGB-TUAOUCFPSA-N 2 1 228.380 1.514 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396612578 711360378 /nfs/dbraw/zinc/36/03/78/711360378.db2.gz KMSDKXYALRYIOI-STQMWFEESA-N 2 1 227.396 1.447 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396728333 711369551 /nfs/dbraw/zinc/36/95/51/711369551.db2.gz XEOHBBFIMQZYOT-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](CCO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000397609219 711387452 /nfs/dbraw/zinc/38/74/52/711387452.db2.gz BOUGVOIOVHONIZ-FUDCBSFHSA-N 2 1 240.391 1.610 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000398183294 711404392 /nfs/dbraw/zinc/40/43/92/711404392.db2.gz NGZGSOGHPBAGEY-MRVPVSSYSA-N 2 1 226.242 1.194 20 0 BDADMP C[C@@H]1COCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000399078844 711419659 /nfs/dbraw/zinc/41/96/59/711419659.db2.gz WAFWUTQOVABZOM-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1COCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000399078844 711419663 /nfs/dbraw/zinc/41/96/63/711419663.db2.gz WAFWUTQOVABZOM-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+](CC[NH3+])CC[C@@H]1CC1(Cl)Cl ZINC000399277626 711426073 /nfs/dbraw/zinc/42/60/73/711426073.db2.gz YRYASAKBIIRPAI-SSDOTTSWSA-N 2 1 211.136 1.461 20 0 BDADMP C[N@@H+](CC[NH3+])CC[C@@H]1CC1(Cl)Cl ZINC000399277626 711426076 /nfs/dbraw/zinc/42/60/76/711426076.db2.gz YRYASAKBIIRPAI-SSDOTTSWSA-N 2 1 211.136 1.461 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[NH+]1C2CCC1CC2 ZINC000399354367 711429564 /nfs/dbraw/zinc/42/95/64/711429564.db2.gz CLJKNIJNWWFTGC-WXRRBKDZSA-N 2 1 224.348 1.070 20 0 BDADMP CC[N@@H+](CCNc1cc(C)[nH+]c(N)n1)C(C)C ZINC000726595281 711438836 /nfs/dbraw/zinc/43/88/36/711438836.db2.gz PIVKCNGCDJMUTC-UHFFFAOYSA-N 2 1 237.351 1.509 20 0 BDADMP C[N@H+](Cc1ccon1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381281760 710615605 /nfs/dbraw/zinc/61/56/05/710615605.db2.gz YKHAPACDCADORQ-ZJUUUORDSA-N 2 1 209.293 1.234 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC000721963006 710693809 /nfs/dbraw/zinc/69/38/09/710693809.db2.gz QROWBGUKUISCNM-UONOGXRCSA-N 2 1 242.407 1.836 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000396642577 711363481 /nfs/dbraw/zinc/36/34/81/711363481.db2.gz JAGQPPXZBYXTQZ-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396674323 711364944 /nfs/dbraw/zinc/36/49/44/711364944.db2.gz RYSNWMUKOKHQCU-YNEHKIRRSA-N 2 1 228.380 1.515 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000398183296 711401655 /nfs/dbraw/zinc/40/16/55/711401655.db2.gz NGZGSOGHPBAGEY-QMMMGPOBSA-N 2 1 226.242 1.194 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000400004015 711437885 /nfs/dbraw/zinc/43/78/85/711437885.db2.gz PSQQZBLUQZHTNE-LBPRGKRZSA-N 2 1 228.405 1.956 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000723121343 711505903 /nfs/dbraw/zinc/50/59/03/711505903.db2.gz JLLLYCRDMODAJQ-WISYIIOYSA-N 2 1 212.337 1.081 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000723121343 711505906 /nfs/dbraw/zinc/50/59/06/711505906.db2.gz JLLLYCRDMODAJQ-WISYIIOYSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713677 711535291 /nfs/dbraw/zinc/53/52/91/711535291.db2.gz XITHKGCKKLUOHU-SNVBAGLBSA-N 2 1 225.361 1.622 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000723877636 711542357 /nfs/dbraw/zinc/54/23/57/711542357.db2.gz XFQXPGWXACRGEK-STQMWFEESA-N 2 1 233.359 1.868 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1CC[NH3+] ZINC000723886287 711543506 /nfs/dbraw/zinc/54/35/06/711543506.db2.gz JOWCXUTWKLMNTK-GHMZBOCLSA-N 2 1 239.388 1.602 20 0 BDADMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902380 711545064 /nfs/dbraw/zinc/54/50/64/711545064.db2.gz WLNYGVZFABXQRT-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP COC/C(C)=C/C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930555332 711696905 /nfs/dbraw/zinc/69/69/05/711696905.db2.gz MFTOZBUEUAYOLV-HIICFIELSA-N 2 1 238.375 1.607 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396612568 711702733 /nfs/dbraw/zinc/70/27/33/711702733.db2.gz KMSDKXYALRYIOI-CHWSQXEVSA-N 2 1 227.396 1.447 20 0 BDADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334979370 711719361 /nfs/dbraw/zinc/71/93/61/711719361.db2.gz FNXRTTZAJHCAHC-UONOGXRCSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334979370 711719363 /nfs/dbraw/zinc/71/93/63/711719363.db2.gz FNXRTTZAJHCAHC-UONOGXRCSA-N 3 1 237.391 1.204 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257680310 711726437 /nfs/dbraw/zinc/72/64/37/711726437.db2.gz KVFFPCSYPCATTG-CQSZACIVSA-N 2 1 233.359 1.601 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722324734 711737326 /nfs/dbraw/zinc/73/73/26/711737326.db2.gz MSTHWLZBQGIKJS-DOERSZECSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000925787328 711751345 /nfs/dbraw/zinc/75/13/45/711751345.db2.gz YNPUBBPXXBXCHA-RQJABVFESA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925787328 711751347 /nfs/dbraw/zinc/75/13/47/711751347.db2.gz YNPUBBPXXBXCHA-RQJABVFESA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000925787328 711751350 /nfs/dbraw/zinc/75/13/50/711751350.db2.gz YNPUBBPXXBXCHA-RQJABVFESA-N 3 1 237.391 1.058 20 0 BDADMP CN(C)c1ccnc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000925814302 711755022 /nfs/dbraw/zinc/75/50/22/711755022.db2.gz KFRWHDCPZXPVSK-VXGBXAGGSA-N 2 1 248.374 1.507 20 0 BDADMP C[C@H]1CSCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000725661611 711759326 /nfs/dbraw/zinc/75/93/26/711759326.db2.gz MEQGXCSMRVCXRL-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1COC[C@H]1C ZINC000924950796 711766837 /nfs/dbraw/zinc/76/68/37/711766837.db2.gz KVJORVWTUWFSMR-WZRBSPASSA-N 2 1 237.347 1.452 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879622186 711771116 /nfs/dbraw/zinc/77/11/16/711771116.db2.gz IVJRZULEFHURKF-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622186 711771117 /nfs/dbraw/zinc/77/11/17/711771117.db2.gz IVJRZULEFHURKF-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622186 711771118 /nfs/dbraw/zinc/77/11/18/711771118.db2.gz IVJRZULEFHURKF-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP CCc1nc(N[C@H]2C[NH2+]CC2(C)C)cc(C)[nH+]1 ZINC000721866741 711792493 /nfs/dbraw/zinc/79/24/93/711792493.db2.gz QOCDZKTXYSUMBI-JTQLQIEISA-N 2 1 234.347 1.757 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000721870051 711793055 /nfs/dbraw/zinc/79/30/55/711793055.db2.gz AYGPUEDLHIENEZ-HZSPNIEDSA-N 2 1 242.407 1.977 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOc2ccccc2C1 ZINC000111273624 711803190 /nfs/dbraw/zinc/80/31/90/711803190.db2.gz HGOXPRKWOMWZAV-OCCSQVGLSA-N 2 1 246.354 1.737 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOc2ccccc2C1 ZINC000111273624 711803191 /nfs/dbraw/zinc/80/31/91/711803191.db2.gz HGOXPRKWOMWZAV-OCCSQVGLSA-N 2 1 246.354 1.737 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000722006636 711898107 /nfs/dbraw/zinc/89/81/07/711898107.db2.gz WTDSOEFNAAIUDJ-OUAUKWLOSA-N 2 1 212.337 1.081 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000722006636 711898109 /nfs/dbraw/zinc/89/81/09/711898109.db2.gz WTDSOEFNAAIUDJ-OUAUKWLOSA-N 2 1 212.337 1.081 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000721910917 711917390 /nfs/dbraw/zinc/91/73/90/711917390.db2.gz GPFONMATMDQTCT-UPJWGTAASA-N 2 1 228.380 1.574 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](COC)C(C)C ZINC000721913698 711918191 /nfs/dbraw/zinc/91/81/91/711918191.db2.gz PNDKXAUZESOYRG-STQMWFEESA-N 2 1 228.380 1.589 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H](OC)C1 ZINC000721929405 711938885 /nfs/dbraw/zinc/93/88/85/711938885.db2.gz ZSOZUYNXPBLADX-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H](OC)C1 ZINC000721929405 711938887 /nfs/dbraw/zinc/93/88/87/711938887.db2.gz ZSOZUYNXPBLADX-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cn1 ZINC000700606291 712001094 /nfs/dbraw/zinc/00/10/94/712001094.db2.gz XLXXBJNGYGUTAT-LBPRGKRZSA-N 2 1 221.348 1.820 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700788972 712005434 /nfs/dbraw/zinc/00/54/34/712005434.db2.gz SKVTVEUBXNAZTB-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C1=C(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000702347301 712045614 /nfs/dbraw/zinc/04/56/14/712045614.db2.gz WOLICNDJBJYWIV-YHQUGGNUSA-N 2 1 218.344 1.683 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702458716 712053594 /nfs/dbraw/zinc/05/35/94/712053594.db2.gz WXRDQWUACWSMMW-BFHYXJOUSA-N 2 1 239.407 1.243 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000702615867 712057405 /nfs/dbraw/zinc/05/74/05/712057405.db2.gz MONBLOOXORLZIM-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000703557590 712078607 /nfs/dbraw/zinc/07/86/07/712078607.db2.gz BKYIWKWUXUOZDH-QWHCGFSZSA-N 2 1 217.316 1.123 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000703557590 712078610 /nfs/dbraw/zinc/07/86/10/712078610.db2.gz BKYIWKWUXUOZDH-QWHCGFSZSA-N 2 1 217.316 1.123 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703538616 712078787 /nfs/dbraw/zinc/07/87/87/712078787.db2.gz PDGAEXCCJCHBCK-WCQYABFASA-N 2 1 217.316 1.436 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703583661 712080014 /nfs/dbraw/zinc/08/00/14/712080014.db2.gz PSGCGNAOLCAXEG-WCQYABFASA-N 2 1 226.364 1.200 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703608331 712080607 /nfs/dbraw/zinc/08/06/07/712080607.db2.gz VAFRFCGKCAEVFN-GXTWGEPZSA-N 2 1 248.374 1.078 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703608331 712080609 /nfs/dbraw/zinc/08/06/09/712080609.db2.gz VAFRFCGKCAEVFN-GXTWGEPZSA-N 2 1 248.374 1.078 20 0 BDADMP COC1CC(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000703851010 712090835 /nfs/dbraw/zinc/09/08/35/712090835.db2.gz BXGCWSCISLITRO-PYNQCMFNSA-N 2 1 224.348 1.095 20 0 BDADMP COC1CC(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000703851010 712090836 /nfs/dbraw/zinc/09/08/36/712090836.db2.gz BXGCWSCISLITRO-PYNQCMFNSA-N 2 1 224.348 1.095 20 0 BDADMP CC[N@H+]1CC[C@@H](CNCc2cncc(OC)c2)C1 ZINC000704207247 712101089 /nfs/dbraw/zinc/10/10/89/712101089.db2.gz LYWHKQPAKXKMIT-LBPRGKRZSA-N 2 1 249.358 1.522 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(OC)c2)C1 ZINC000704207247 712101093 /nfs/dbraw/zinc/10/10/93/712101093.db2.gz LYWHKQPAKXKMIT-LBPRGKRZSA-N 2 1 249.358 1.522 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(OC)c2)C1 ZINC000704207247 712101094 /nfs/dbraw/zinc/10/10/94/712101094.db2.gz LYWHKQPAKXKMIT-LBPRGKRZSA-N 2 1 249.358 1.522 20 0 BDADMP CC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000705108582 712122420 /nfs/dbraw/zinc/12/24/20/712122420.db2.gz VGESERPXXUIVPQ-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000705108582 712122421 /nfs/dbraw/zinc/12/24/21/712122421.db2.gz VGESERPXXUIVPQ-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000705108582 712122422 /nfs/dbraw/zinc/12/24/22/712122422.db2.gz VGESERPXXUIVPQ-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC(F)(F)CC2)C1 ZINC000705683555 712134093 /nfs/dbraw/zinc/13/40/93/712134093.db2.gz ZWSGDCRKNMSCKF-AOOOYVTPSA-N 2 1 218.291 1.845 20 0 BDADMP C[C@@H](O)CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705669017 712135332 /nfs/dbraw/zinc/13/53/32/712135332.db2.gz LHYLFSLEQKWAAW-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705669017 712135334 /nfs/dbraw/zinc/13/53/34/712135334.db2.gz LHYLFSLEQKWAAW-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705669017 712135335 /nfs/dbraw/zinc/13/53/35/712135335.db2.gz LHYLFSLEQKWAAW-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705669017 712135336 /nfs/dbraw/zinc/13/53/36/712135336.db2.gz LHYLFSLEQKWAAW-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000706419296 712145886 /nfs/dbraw/zinc/14/58/86/712145886.db2.gz ZKOXBZDFIWACGX-HRDYMLBCSA-N 2 1 206.280 1.842 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000706419296 712145888 /nfs/dbraw/zinc/14/58/88/712145888.db2.gz ZKOXBZDFIWACGX-HRDYMLBCSA-N 2 1 206.280 1.842 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000706469518 712146577 /nfs/dbraw/zinc/14/65/77/712146577.db2.gz PAUHYHMYADXZLY-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCO[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000706524678 712149448 /nfs/dbraw/zinc/14/94/48/712149448.db2.gz LVQOKFIAGQTRSI-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP CS[C@@H]1CCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000707330948 712168056 /nfs/dbraw/zinc/16/80/56/712168056.db2.gz RZYIPJIRYPWYEQ-GRYCIOLGSA-N 2 1 228.405 1.941 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000707525827 712171746 /nfs/dbraw/zinc/17/17/46/712171746.db2.gz UAPFHVKRKRXLPP-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000708080708 712181453 /nfs/dbraw/zinc/18/14/53/712181453.db2.gz BRMDMPLBFBSPFJ-RKQHYHRCSA-N 2 1 222.376 1.949 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000708321895 712186762 /nfs/dbraw/zinc/18/67/62/712186762.db2.gz BRRFDZSAXVOECW-LBPRGKRZSA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000708346405 712189954 /nfs/dbraw/zinc/18/99/54/712189954.db2.gz FFMYFYWEPSDWMN-RWMBFGLXSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CC[C@@H]1C[NH3+] ZINC000708352850 712190348 /nfs/dbraw/zinc/19/03/48/712190348.db2.gz DKODLEKSQVYTJW-UPJWGTAASA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000708390165 712192071 /nfs/dbraw/zinc/19/20/71/712192071.db2.gz QOMQXTGLBKHLGW-WYUUTHIRSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000708827626 712200006 /nfs/dbraw/zinc/20/00/06/712200006.db2.gz YEZSYQQOWMHHOP-BNOWGMLFSA-N 2 1 240.391 1.454 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCC1)C2 ZINC000709858154 712230045 /nfs/dbraw/zinc/23/00/45/712230045.db2.gz ANKWOKSMLUXWGT-AVGNSLFASA-N 2 1 208.349 1.988 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1N ZINC000711083260 712278775 /nfs/dbraw/zinc/27/87/75/712278775.db2.gz UBGLBTGGZJJULB-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CSC[C@@H]3C2)C1 ZINC000711560441 712310439 /nfs/dbraw/zinc/31/04/39/712310439.db2.gz JHADAIAAFYCOCW-FDNPJPRYSA-N 2 1 212.362 1.019 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711544275 712310641 /nfs/dbraw/zinc/31/06/41/712310641.db2.gz IPEUFAJXNAFHMA-UTUOFQBUSA-N 2 1 226.389 1.281 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000711734116 712320985 /nfs/dbraw/zinc/32/09/85/712320985.db2.gz YHZCOBCERANOFQ-QWRGUYRKSA-N 2 1 212.337 1.225 20 0 BDADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)OC1CC1 ZINC000711760387 712326608 /nfs/dbraw/zinc/32/66/08/712326608.db2.gz URLRLHZFSJVVEZ-GXTWGEPZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOC2CC2)[C@@H]1C ZINC000711784649 712330371 /nfs/dbraw/zinc/33/03/71/712330371.db2.gz GFQTVMSJKWXAFC-UTUOFQBUSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOC2CC2)[C@@H]1C ZINC000711784649 712330375 /nfs/dbraw/zinc/33/03/75/712330375.db2.gz GFQTVMSJKWXAFC-UTUOFQBUSA-N 2 1 226.364 1.613 20 0 BDADMP [NH3+]CCC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000711803554 712331804 /nfs/dbraw/zinc/33/18/04/712331804.db2.gz MZXWJZXSWMOCPV-UHFFFAOYSA-N 2 1 248.374 1.779 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000923478948 712334173 /nfs/dbraw/zinc/33/41/73/712334173.db2.gz JYWGHKBBJDKCIY-LLVKDONJSA-N 2 1 249.358 1.724 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923480285 712334176 /nfs/dbraw/zinc/33/41/76/712334176.db2.gz WLGRRKUBOILWBH-HUUCEWRRSA-N 2 1 248.370 1.261 20 0 BDADMP C[N@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCSC1 ZINC000379537407 712387785 /nfs/dbraw/zinc/38/77/85/712387785.db2.gz MIHFUHMGLSSORG-SFYZADRCSA-N 2 1 224.320 1.406 20 0 BDADMP C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CCSC1 ZINC000379537407 712387786 /nfs/dbraw/zinc/38/77/86/712387786.db2.gz MIHFUHMGLSSORG-SFYZADRCSA-N 2 1 224.320 1.406 20 0 BDADMP Cc1noc(C)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000379654066 712391298 /nfs/dbraw/zinc/39/12/98/712391298.db2.gz LSVUFFAKUFOPCM-UHFFFAOYSA-N 2 1 211.309 1.508 20 0 BDADMP C=C/C=C\CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000713759805 712472100 /nfs/dbraw/zinc/47/21/00/712472100.db2.gz TZBKZDHTVLDSJB-VSQXVHSFSA-N 2 1 210.321 1.168 20 0 BDADMP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037266991 712564945 /nfs/dbraw/zinc/56/49/45/712564945.db2.gz HDZSMEHLCZDXFA-LLVKDONJSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000716803537 712575288 /nfs/dbraw/zinc/57/52/88/712575288.db2.gz VKHYKZLQQJTJFO-RVMXOQNASA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000716803537 712575290 /nfs/dbraw/zinc/57/52/90/712575290.db2.gz VKHYKZLQQJTJFO-RVMXOQNASA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716841466 712577814 /nfs/dbraw/zinc/57/78/14/712577814.db2.gz DZSKUICJAMFLSU-PJIALRRASA-N 2 1 240.391 1.751 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000717613126 712662478 /nfs/dbraw/zinc/66/24/78/712662478.db2.gz HSJAMMAGIZQRIF-SDDRHHMPSA-N 2 1 226.364 1.532 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717984480 712735307 /nfs/dbraw/zinc/73/53/07/712735307.db2.gz LTTHQPQMTWDZLB-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718154935 712749136 /nfs/dbraw/zinc/74/91/36/712749136.db2.gz KVVVCTRWCLCCHE-BETUJISGSA-N 2 1 226.364 1.474 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]c(CO)c1 ZINC000720483281 712846603 /nfs/dbraw/zinc/84/66/03/712846603.db2.gz JHLRRHIIHXVWPG-ZIAGYGMSSA-N 2 1 247.342 1.247 20 0 BDADMP CC1(C)C[N@H+](CCCCCCO)C[C@H]1[NH3+] ZINC000720718778 712862320 /nfs/dbraw/zinc/86/23/20/712862320.db2.gz XHUYFIGRCBORRR-LLVKDONJSA-N 2 1 214.353 1.208 20 0 BDADMP CC1(C)C[N@@H+](CCCCCCO)C[C@H]1[NH3+] ZINC000720718778 712862323 /nfs/dbraw/zinc/86/23/23/712862323.db2.gz XHUYFIGRCBORRR-LLVKDONJSA-N 2 1 214.353 1.208 20 0 BDADMP C[NH2+]CC[N@H+](CCCOC(C)C)C(C)C ZINC000720792127 712866103 /nfs/dbraw/zinc/86/61/03/712866103.db2.gz SLFJDLNULDNMKE-UHFFFAOYSA-N 2 1 216.369 1.731 20 0 BDADMP C[NH2+]CC[N@@H+](CCCOC(C)C)C(C)C ZINC000720792127 712866104 /nfs/dbraw/zinc/86/61/04/712866104.db2.gz SLFJDLNULDNMKE-UHFFFAOYSA-N 2 1 216.369 1.731 20 0 BDADMP Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)nc(N)[nH+]1 ZINC000720828644 712868747 /nfs/dbraw/zinc/86/87/47/712868747.db2.gz IXPXFLDOAUIBLA-GHMZBOCLSA-N 2 1 247.346 1.040 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000720827901 712868977 /nfs/dbraw/zinc/86/89/77/712868977.db2.gz LJLDCHGMAZQACT-OUCADQQQSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC[NH2+]CC1 ZINC000720872624 712873308 /nfs/dbraw/zinc/87/33/08/712873308.db2.gz ORNRAGISTPNVOA-FPMFFAJLSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cccc(N)c1 ZINC000720890901 712874476 /nfs/dbraw/zinc/87/44/76/712874476.db2.gz OREBCOOLJNCQKZ-GJZGRUSLSA-N 2 1 245.370 1.937 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1cccc(N)c1 ZINC000720890900 712874571 /nfs/dbraw/zinc/87/45/71/712874571.db2.gz OREBCOOLJNCQKZ-CABCVRRESA-N 2 1 245.370 1.937 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCC[NH2+]C1CC1 ZINC000720902959 712876092 /nfs/dbraw/zinc/87/60/92/712876092.db2.gz WCZKQGTYLOIHJB-KBPBESRZSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1CN(c2cccc(N)[nH+]2)[C@@H](C)C[N@@H+]1C ZINC001164641577 719173443 /nfs/dbraw/zinc/17/34/43/719173443.db2.gz XHXLGYJWJLPQSX-ZJUUUORDSA-N 2 1 220.320 1.193 20 0 BDADMP C[C@@H]1CN(c2cccc(N)[nH+]2)[C@@H](C)C[N@H+]1C ZINC001164641577 719173446 /nfs/dbraw/zinc/17/34/46/719173446.db2.gz XHXLGYJWJLPQSX-ZJUUUORDSA-N 2 1 220.320 1.193 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209422860 957440227 /nfs/dbraw/zinc/44/02/27/957440227.db2.gz YZQJJEVCIAJYBL-GHMZBOCLSA-N 2 1 205.305 1.397 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209422860 957440235 /nfs/dbraw/zinc/44/02/35/957440235.db2.gz YZQJJEVCIAJYBL-GHMZBOCLSA-N 2 1 205.305 1.397 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCCCCO)C[NH2+]1 ZINC000399038308 958494216 /nfs/dbraw/zinc/49/42/16/958494216.db2.gz PZKOWLSIMPCCAP-NWDGAFQWSA-N 2 1 214.353 1.269 20 0 BDADMP C[NH+]1CCC([NH2+]CCOC2CCCC2)CC1 ZINC000082627217 960818498 /nfs/dbraw/zinc/81/84/98/960818498.db2.gz PHDXVADZYKNOKF-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000300054000 960893983 /nfs/dbraw/zinc/89/39/83/960893983.db2.gz UZTQPNUKBHUDPH-OLZOCXBDSA-N 2 1 228.380 1.576 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C1COC1 ZINC001167824265 961139593 /nfs/dbraw/zinc/13/95/93/961139593.db2.gz CYMHYDCSCHOINA-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP FCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964552 962992989 /nfs/dbraw/zinc/99/29/89/962992989.db2.gz SNMYIRIFVNVDQA-YHWZYXNKSA-N 2 1 226.339 1.951 20 0 BDADMP FCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964552 962993011 /nfs/dbraw/zinc/99/30/11/962993011.db2.gz SNMYIRIFVNVDQA-YHWZYXNKSA-N 2 1 226.339 1.951 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204762717 963367775 /nfs/dbraw/zinc/36/77/75/963367775.db2.gz BGNVKTYZZRWDIF-ZDUSSCGKSA-N 3 1 225.380 1.141 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204762717 963367785 /nfs/dbraw/zinc/36/77/85/963367785.db2.gz BGNVKTYZZRWDIF-ZDUSSCGKSA-N 3 1 225.380 1.141 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCO1 ZINC001168315339 964427699 /nfs/dbraw/zinc/42/76/99/964427699.db2.gz UWFAVFSEWAXDKU-PNESKVBLSA-N 2 1 226.364 1.580 20 0 BDADMP C/C=C(\NC=[NH2+])[NH2+]CCC(=O)OC(C)(C)C ZINC001163407665 965397048 /nfs/dbraw/zinc/39/70/48/965397048.db2.gz DDEULSCWKHQFCZ-UITAMQMPSA-N 2 1 227.308 1.366 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)cn1 ZINC000699534597 965946062 /nfs/dbraw/zinc/94/60/62/965946062.db2.gz AOWXXIAJMKBZML-UHFFFAOYSA-N 2 1 243.738 1.142 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](CO)C2)CC1 ZINC000715541807 967153785 /nfs/dbraw/zinc/15/37/85/967153785.db2.gz IQJXTPQPIJCCDY-PNESKVBLSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1C[NH3+] ZINC001205130674 967373870 /nfs/dbraw/zinc/37/38/70/967373870.db2.gz LHRFFFXHJHNASA-PDWCTOEPSA-N 2 1 220.360 1.725 20 0 BDADMP CN1CC[NH+](CCCC2=CCC[N@@H+](C)C2)CC1 ZINC001250228747 967537303 /nfs/dbraw/zinc/53/73/03/967537303.db2.gz INQAXMMJRCSYPH-UHFFFAOYSA-N 2 1 237.391 1.276 20 0 BDADMP C[NH+]1CCN(CCCC2=CCC[N@H+](C)C2)CC1 ZINC001250228747 967537317 /nfs/dbraw/zinc/53/73/17/967537317.db2.gz INQAXMMJRCSYPH-UHFFFAOYSA-N 2 1 237.391 1.276 20 0 BDADMP C[NH+]1CCN(CCCC2=CCC[N@@H+](C)C2)CC1 ZINC001250228747 967537329 /nfs/dbraw/zinc/53/73/29/967537329.db2.gz INQAXMMJRCSYPH-UHFFFAOYSA-N 2 1 237.391 1.276 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CC2CCCC2)C1 ZINC001205664139 967760213 /nfs/dbraw/zinc/76/02/13/967760213.db2.gz MMNQNRDPVAXYGH-CYBMUJFWSA-N 2 1 226.364 1.352 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCC[C@H]1C[NH3+] ZINC001205985618 967930878 /nfs/dbraw/zinc/93/08/78/967930878.db2.gz YZOUREBUGYTQEL-AGIUHOORSA-N 2 1 226.364 1.330 20 0 BDADMP COCOCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205983083 967931812 /nfs/dbraw/zinc/93/18/12/967931812.db2.gz NQYKWOUKQVLNAG-CHWSQXEVSA-N 2 1 244.379 1.304 20 0 BDADMP Cc1cnsc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206196957 968106047 /nfs/dbraw/zinc/10/60/47/968106047.db2.gz FICIIRXZBMMBLP-ZJUUUORDSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1cnsc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206196957 968106070 /nfs/dbraw/zinc/10/60/70/968106070.db2.gz FICIIRXZBMMBLP-ZJUUUORDSA-N 2 1 243.351 1.713 20 0 BDADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C[C@H](C)O)[C@@H](C)C1 ZINC001251978146 968419736 /nfs/dbraw/zinc/41/97/36/968419736.db2.gz NMYLLKMHWZXZIE-SDDRHHMPSA-N 2 1 214.353 1.076 20 0 BDADMP C[NH+](C)CC(C)(C)CN1CC[N@H+]2CCC[C@H]2C1 ZINC001207285382 968716787 /nfs/dbraw/zinc/71/67/87/968716787.db2.gz IVBGPINDNKKORM-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001207479447 968795372 /nfs/dbraw/zinc/79/53/72/968795372.db2.gz IZLBOKNCYNXZMX-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CC[C@H]1O ZINC001207479968 968798390 /nfs/dbraw/zinc/79/83/90/968798390.db2.gz QVCTWIATSPIKSJ-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC001207484890 968799127 /nfs/dbraw/zinc/79/91/27/968799127.db2.gz OJQKUWFOFAUHRE-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001207480148 968799875 /nfs/dbraw/zinc/79/98/75/968799875.db2.gz UYLQMRXBAVHXRZ-CHWSQXEVSA-N 2 1 244.354 1.123 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CC[C@@H]1O ZINC001207479966 968799957 /nfs/dbraw/zinc/79/99/57/968799957.db2.gz QVCTWIATSPIKSJ-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+](C)CC1(C[N@H+]2CC[C@](C)(O)C2)CCCC1 ZINC001208185004 969118413 /nfs/dbraw/zinc/11/84/13/969118413.db2.gz SPEYBBNIOAILOB-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC3(COC3)C2)CC1 ZINC001208592502 969148286 /nfs/dbraw/zinc/14/82/86/969148286.db2.gz JKVOWNWJMLIMHM-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC001208592048 969148293 /nfs/dbraw/zinc/14/82/93/969148293.db2.gz BWHOJGQMMOXZBO-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC23COC3)CC1 ZINC001208598593 969151750 /nfs/dbraw/zinc/15/17/50/969151750.db2.gz UDVXVUWZKSZINF-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]1CC1(C)C ZINC001253394229 969154244 /nfs/dbraw/zinc/15/42/44/969154244.db2.gz IQNGFNMGDLIFNB-VXGBXAGGSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208607204 969161537 /nfs/dbraw/zinc/16/15/37/969161537.db2.gz JQJOJNOHQIIMSU-IJLUTSLNSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@@H](F)C[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208607204 969161541 /nfs/dbraw/zinc/16/15/41/969161541.db2.gz JQJOJNOHQIIMSU-IJLUTSLNSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@@H](F)C[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208607204 969161545 /nfs/dbraw/zinc/16/15/45/969161545.db2.gz JQJOJNOHQIIMSU-IJLUTSLNSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)CC[C@@H]1O ZINC001208609155 969167160 /nfs/dbraw/zinc/16/71/60/969167160.db2.gz YPAQAQFEDLWGQK-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC[C@@H]1O ZINC001208609155 969167164 /nfs/dbraw/zinc/16/71/64/969167164.db2.gz YPAQAQFEDLWGQK-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC[C@@H]1O ZINC001208609155 969167170 /nfs/dbraw/zinc/16/71/70/969167170.db2.gz YPAQAQFEDLWGQK-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)O[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208618202 969177953 /nfs/dbraw/zinc/17/79/53/969177953.db2.gz SMRSZLNZFAUNQK-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CN(c1cc(N)cc[nH+]1)C1=CC[N@@H+](C)CC1 ZINC001208803653 969243869 /nfs/dbraw/zinc/24/38/69/969243869.db2.gz ZWKZIWDGKOPUHG-UHFFFAOYSA-N 2 1 218.304 1.319 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C2 ZINC001253741980 969360808 /nfs/dbraw/zinc/36/08/08/969360808.db2.gz RFQRKOKNZDUAJN-YVECIDJPSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@](C)(O)C1)C2 ZINC001169097890 969389285 /nfs/dbraw/zinc/38/92/85/969389285.db2.gz DWJUISPRVOENSN-UMBVQODESA-N 2 1 224.348 1.115 20 0 BDADMP CCCC[NH+]1CCC([N@@H+](C)CCOC)CC1 ZINC001209216040 969405706 /nfs/dbraw/zinc/40/57/06/969405706.db2.gz WHFBLHYHVXBFPJ-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001253787588 969406795 /nfs/dbraw/zinc/40/67/95/969406795.db2.gz COSRKKKZPMFAHW-MELADBBJSA-N 2 1 242.407 1.712 20 0 BDADMP C[N@@H+]1CCC[C@@](C)(N[C@H]2CCC[NH+](C)CC2)C1 ZINC001254512774 969678008 /nfs/dbraw/zinc/67/80/08/969678008.db2.gz RMAKGTIULXNLCM-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@@](C)(N[C@H]2CCC[NH+](C)CC2)C1 ZINC001254512774 969678012 /nfs/dbraw/zinc/67/80/12/969678012.db2.gz RMAKGTIULXNLCM-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@@](C)(N[C@H]2CCC[N@H+](C)CC2)C1 ZINC001254512774 969678017 /nfs/dbraw/zinc/67/80/17/969678017.db2.gz RMAKGTIULXNLCM-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@@](C)(N[C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254512774 969678025 /nfs/dbraw/zinc/67/80/25/969678025.db2.gz RMAKGTIULXNLCM-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@](C)(N[C@@H]2CCC[NH+](C)CC2)C1 ZINC001254512773 969678457 /nfs/dbraw/zinc/67/84/57/969678457.db2.gz RMAKGTIULXNLCM-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@](C)(N[C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254512773 969678468 /nfs/dbraw/zinc/67/84/68/969678468.db2.gz RMAKGTIULXNLCM-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+]1CCC[C@](C)(N[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254512773 969678475 /nfs/dbraw/zinc/67/84/75/969678475.db2.gz RMAKGTIULXNLCM-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@](C)(CO)C2)CC1 ZINC001254515979 969692846 /nfs/dbraw/zinc/69/28/46/969692846.db2.gz IADOJILSEQSBCR-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@](C)(CO)C2)CC1 ZINC001254515979 969692850 /nfs/dbraw/zinc/69/28/50/969692850.db2.gz IADOJILSEQSBCR-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001254515979 969692857 /nfs/dbraw/zinc/69/28/57/969692857.db2.gz IADOJILSEQSBCR-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517079 969696503 /nfs/dbraw/zinc/69/65/03/969696503.db2.gz RXZHOUIGHSHCMG-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254517079 969696508 /nfs/dbraw/zinc/69/65/08/969696508.db2.gz RXZHOUIGHSHCMG-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254517079 969696513 /nfs/dbraw/zinc/69/65/13/969696513.db2.gz RXZHOUIGHSHCMG-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC3(CCC3)C2)CC1 ZINC001254521286 969710481 /nfs/dbraw/zinc/71/04/81/969710481.db2.gz UUVOQKSLBYCTCS-GFCCVEGCSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](F)C2)CC1 ZINC001254522376 969711151 /nfs/dbraw/zinc/71/11/51/969711151.db2.gz FLBRXIRTRRTDRK-RYUDHWBXSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](F)C2)CC1 ZINC001254522376 969711162 /nfs/dbraw/zinc/71/11/62/969711162.db2.gz FLBRXIRTRRTDRK-RYUDHWBXSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](F)C2)CC1 ZINC001254522376 969711167 /nfs/dbraw/zinc/71/11/67/969711167.db2.gz FLBRXIRTRRTDRK-RYUDHWBXSA-N 2 1 214.328 1.905 20 0 BDADMP CCC1(O)CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525212 969717637 /nfs/dbraw/zinc/71/76/37/969717637.db2.gz HGYMFCHGBALRSC-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](C)C1(C)CN([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254525416 969721161 /nfs/dbraw/zinc/72/11/61/969721161.db2.gz HZABREIDOADINJ-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC(C(F)F)C2)CC1 ZINC001254534247 969730159 /nfs/dbraw/zinc/73/01/59/969730159.db2.gz UZFPCQNFJPUUOO-JTQLQIEISA-N 2 1 218.291 1.668 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC(C(F)F)C2)CC1 ZINC001254534247 969730168 /nfs/dbraw/zinc/73/01/68/969730168.db2.gz UZFPCQNFJPUUOO-JTQLQIEISA-N 2 1 218.291 1.668 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)o1 ZINC000723633721 969790857 /nfs/dbraw/zinc/79/08/57/969790857.db2.gz LIETZYLDHBHDNX-GFCCVEGCSA-N 2 1 237.347 1.852 20 0 BDADMP C1C[NH+](C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC001255296755 970060567 /nfs/dbraw/zinc/06/05/67/970060567.db2.gz VVLZUHNUUHFOOQ-GFCCVEGCSA-N 2 1 226.389 1.662 20 0 BDADMP CCCC[NH+](CC)CCN[C@H]1CC[N@@H+](C)C1 ZINC001255412140 970132042 /nfs/dbraw/zinc/13/20/42/970132042.db2.gz LLCPZINSDLWQCX-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CCCN(CCC[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC001255440493 970171940 /nfs/dbraw/zinc/17/19/40/970171940.db2.gz DHWBTNVOBHMQOY-CYBMUJFWSA-N 2 1 227.396 1.354 20 0 BDADMP CCCc1cc(C[NH3+])nn1[C@H]1CCC[N@@H+](C)C1 ZINC001255475532 970205602 /nfs/dbraw/zinc/20/56/02/970205602.db2.gz RFJKNZCAWIWEHZ-ZDUSSCGKSA-N 2 1 236.363 1.561 20 0 BDADMP CC[NH+](CC)[C@H]1CCN([C@H]2CCC[N@@H+](C)C2)C1 ZINC001255489830 970243993 /nfs/dbraw/zinc/24/39/93/970243993.db2.gz QPPHAQBPCXCIOF-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2CCC[NH+](C)C2)C1 ZINC001255493456 970251860 /nfs/dbraw/zinc/25/18/60/970251860.db2.gz YCUWBORMFFELLE-ZIAGYGMSSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC001255493456 970251876 /nfs/dbraw/zinc/25/18/76/970251876.db2.gz YCUWBORMFFELLE-ZIAGYGMSSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC001255493456 970251889 /nfs/dbraw/zinc/25/18/89/970251889.db2.gz YCUWBORMFFELLE-ZIAGYGMSSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109444 970311443 /nfs/dbraw/zinc/31/14/43/970311443.db2.gz PVWNXMCIDMNFBB-KGLIPLIRSA-N 3 1 241.423 1.778 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109444 970311457 /nfs/dbraw/zinc/31/14/57/970311457.db2.gz PVWNXMCIDMNFBB-KGLIPLIRSA-N 3 1 241.423 1.778 20 0 BDADMP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001255645586 970419840 /nfs/dbraw/zinc/41/98/40/970419840.db2.gz GIIJSTGAXRVCRP-BIIVOSGPSA-N 2 1 210.243 1.797 20 0 BDADMP CC[NH+](CC)CC[C@H](C)n1cnc(C[NH3+])n1 ZINC001255947167 970581961 /nfs/dbraw/zinc/58/19/61/970581961.db2.gz OVIDYPBENORMAN-JTQLQIEISA-N 2 1 225.340 1.030 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](O)C[C@@H]1C ZINC001255963140 970604077 /nfs/dbraw/zinc/60/40/77/970604077.db2.gz CYWHUIOAVODXEB-IHRRRGAJSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](CC)CC[C@H](C)N1CC[N@H+]2CC[C@H]2C1 ZINC001255969188 970607992 /nfs/dbraw/zinc/60/79/92/970607992.db2.gz VADOQSIBELEFPO-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP COC[C@H]1CCC[N@H+]1C1CCN(C2CC2)CC1 ZINC001256072317 970635546 /nfs/dbraw/zinc/63/55/46/970635546.db2.gz BIJKLQINPWLXBV-CQSZACIVSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@](C)(CF)C2)CC1 ZINC001256202766 970699757 /nfs/dbraw/zinc/69/97/57/970699757.db2.gz LWFYLCMBHRKURC-GFCCVEGCSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001256202766 970699797 /nfs/dbraw/zinc/69/97/97/970699797.db2.gz LWFYLCMBHRKURC-GFCCVEGCSA-N 2 1 214.328 1.762 20 0 BDADMP COC(C)(C)[C@@H]1CCC[N@H+]1C1CCN(C)CC1 ZINC001256207197 970713035 /nfs/dbraw/zinc/71/30/35/970713035.db2.gz BSLLPPLOJSMBKL-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC001336800188 977969293 /nfs/dbraw/zinc/96/92/93/977969293.db2.gz PRJIBWIZGQAPML-CYBMUJFWSA-N 2 1 228.380 1.325 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC(F)F)C[C@H]2CC1 ZINC001277644596 977992975 /nfs/dbraw/zinc/99/29/75/977992975.db2.gz KLKYPFOHZVMJRK-AOOOYVTPSA-N 2 1 218.291 1.525 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC(F)F)C[C@H]2CC1 ZINC001277644596 977992982 /nfs/dbraw/zinc/99/29/82/977992982.db2.gz KLKYPFOHZVMJRK-AOOOYVTPSA-N 2 1 218.291 1.525 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC(F)F)C[C@H]2CC1 ZINC001277644596 977992992 /nfs/dbraw/zinc/99/29/92/977992992.db2.gz KLKYPFOHZVMJRK-AOOOYVTPSA-N 2 1 218.291 1.525 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC(F)F)C[C@H]2CC1 ZINC001277644596 977992997 /nfs/dbraw/zinc/99/29/97/977992997.db2.gz KLKYPFOHZVMJRK-AOOOYVTPSA-N 2 1 218.291 1.525 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)Nc1cc(N)[nH+]cn1 ZINC001337179780 978200887 /nfs/dbraw/zinc/20/08/87/978200887.db2.gz SFDHVPWEMQGREF-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(N)[nH+]cn1 ZINC001337179780 978200896 /nfs/dbraw/zinc/20/08/96/978200896.db2.gz SFDHVPWEMQGREF-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]c(N)n1 ZINC001339731182 978900094 /nfs/dbraw/zinc/90/00/94/978900094.db2.gz VEJPBWZXAYRGRR-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCO1 ZINC001180540396 978901003 /nfs/dbraw/zinc/90/10/03/978901003.db2.gz LFELQMCWBKHURE-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH2+]CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429514 979043106 /nfs/dbraw/zinc/04/31/06/979043106.db2.gz YVUUKJZTYFOUQF-KGLIPLIRSA-N 3 1 239.407 1.308 20 0 BDADMP CC[NH2+]CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429514 979043110 /nfs/dbraw/zinc/04/31/10/979043110.db2.gz YVUUKJZTYFOUQF-KGLIPLIRSA-N 3 1 239.407 1.308 20 0 BDADMP C[C@@H]1CC[C@H](N)C[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235892423 979182791 /nfs/dbraw/zinc/18/27/91/979182791.db2.gz QJNHDAAQBZEBCT-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H](N)C[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001235892423 979182800 /nfs/dbraw/zinc/18/28/00/979182800.db2.gz QJNHDAAQBZEBCT-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP CC/C=C\CC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995542 979283459 /nfs/dbraw/zinc/28/34/59/979283459.db2.gz ZERCQUNIFMBKKJ-OCWAKSMGSA-N 2 1 224.348 1.248 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCO)CC2CCC2)CC1 ZINC001236541950 979627695 /nfs/dbraw/zinc/62/76/95/979627695.db2.gz QPAPFWZNDUEQSG-JOCQHMNTSA-N 2 1 226.364 1.351 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)CC[C@H](C)SC ZINC001236859746 979762925 /nfs/dbraw/zinc/76/29/25/979762925.db2.gz LWDBDALSAIDPBS-UWVGGRQHSA-N 2 1 204.383 1.797 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CC[C@H](C)SC ZINC001236859746 979762933 /nfs/dbraw/zinc/76/29/33/979762933.db2.gz LWDBDALSAIDPBS-UWVGGRQHSA-N 2 1 204.383 1.797 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n(C)n1 ZINC001205265801 979817853 /nfs/dbraw/zinc/81/78/53/979817853.db2.gz RMDATOXWYYBGKH-CYBMUJFWSA-N 2 1 236.363 1.432 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205537916 980906759 /nfs/dbraw/zinc/90/67/59/980906759.db2.gz KPNXBFXHZOUXLF-CHWSQXEVSA-N 3 1 243.370 1.139 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC001348840503 981453701 /nfs/dbraw/zinc/45/37/01/981453701.db2.gz MJNOLYYOUXIHJZ-MJBXVCDLSA-N 2 1 239.407 1.306 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H](C)CC[C@@H]2C[NH3+])n1C ZINC001205804361 982562696 /nfs/dbraw/zinc/56/26/96/982562696.db2.gz NGVNTFOBEZFUFX-ZYHUDNBSSA-N 2 1 236.363 1.288 20 0 BDADMP COC1(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCC1 ZINC001352825087 982589153 /nfs/dbraw/zinc/58/91/53/982589153.db2.gz HLXIPSXJRMTENA-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP CCC[C@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001200356932 982873504 /nfs/dbraw/zinc/87/35/04/982873504.db2.gz XWQVDQAAQYNNQW-LBPRGKRZSA-N 2 1 237.347 1.398 20 0 BDADMP COC/C(C)=C\C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001354710017 983347546 /nfs/dbraw/zinc/34/75/46/983347546.db2.gz OAHHNEVWTDASEU-LVOZBFFPSA-N 2 1 240.391 1.995 20 0 BDADMP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172457523 974821185 /nfs/dbraw/zinc/82/11/85/974821185.db2.gz PRNJHWHIUASIQL-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCCOCC2)CCC1(F)F ZINC001246553709 972745017 /nfs/dbraw/zinc/74/50/17/972745017.db2.gz BXTBTPLJROKTBQ-QWRGUYRKSA-N 2 1 248.317 1.471 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@@H](C)CC[C@H]2CN)CC1 ZINC001246561383 972793468 /nfs/dbraw/zinc/79/34/68/972793468.db2.gz WWYHEWPTJCMDFQ-ABXWRUBCSA-N 2 1 239.407 1.576 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246585737 972962479 /nfs/dbraw/zinc/96/24/79/972962479.db2.gz QFNCUKLFWVLWIJ-VWYCJHECSA-N 2 1 246.420 1.158 20 0 BDADMP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCCOC1 ZINC000402779803 970850894 /nfs/dbraw/zinc/85/08/94/970850894.db2.gz NHDQLJQNNKMMJW-VHSXEESVSA-N 2 1 236.306 1.470 20 0 BDADMP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCCOC1 ZINC000402779803 970850895 /nfs/dbraw/zinc/85/08/95/970850895.db2.gz NHDQLJQNNKMMJW-VHSXEESVSA-N 2 1 236.306 1.470 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC001256553126 970859332 /nfs/dbraw/zinc/85/93/32/970859332.db2.gz FCNDRDUCLDRXLA-NSHDSACASA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H]([NH3+])c1ccn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001256615499 970879676 /nfs/dbraw/zinc/87/96/76/970879676.db2.gz KNUCYECRLRXNEO-WSMDXJOWSA-N 2 1 234.347 1.701 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCC[NH+](C)CC1)C2 ZINC001256621621 970886662 /nfs/dbraw/zinc/88/66/62/970886662.db2.gz YMMGWKLXAQZHFA-PBWFPOADSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCC[N@H+](C)CC1)C2 ZINC001256621621 970886664 /nfs/dbraw/zinc/88/66/64/970886664.db2.gz YMMGWKLXAQZHFA-PBWFPOADSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCC[N@@H+](C)CC1)C2 ZINC001256621621 970886668 /nfs/dbraw/zinc/88/66/68/970886668.db2.gz YMMGWKLXAQZHFA-PBWFPOADSA-N 2 1 237.391 1.249 20 0 BDADMP CN(CC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256620783 970887132 /nfs/dbraw/zinc/88/71/32/970887132.db2.gz CVESVPBXYDGXGN-FUNVUKJBSA-N 2 1 225.380 1.105 20 0 BDADMP CO[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256623345 970888619 /nfs/dbraw/zinc/88/86/19/970888619.db2.gz OHWXEICBXIAGAY-HNGCFSAESA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256623345 970888622 /nfs/dbraw/zinc/88/86/22/970888622.db2.gz OHWXEICBXIAGAY-HNGCFSAESA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256623345 970888627 /nfs/dbraw/zinc/88/86/27/970888627.db2.gz OHWXEICBXIAGAY-HNGCFSAESA-N 2 1 224.348 1.332 20 0 BDADMP CC(C)[N@H+](CCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256627286 970891069 /nfs/dbraw/zinc/89/10/69/970891069.db2.gz BXTHOBPLALBGLF-PBWFPOADSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[N@@H+](CCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256627286 970891078 /nfs/dbraw/zinc/89/10/78/970891078.db2.gz BXTHOBPLALBGLF-PBWFPOADSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](CCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256627286 970891080 /nfs/dbraw/zinc/89/10/80/970891080.db2.gz BXTHOBPLALBGLF-PBWFPOADSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](CCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256627286 970891083 /nfs/dbraw/zinc/89/10/83/970891083.db2.gz BXTHOBPLALBGLF-PBWFPOADSA-N 2 1 240.391 1.704 20 0 BDADMP CCN(C1C[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629676 970892583 /nfs/dbraw/zinc/89/25/83/970892583.db2.gz OSWICGZUPMESJX-FUNVUKJBSA-N 2 1 237.391 1.248 20 0 BDADMP CCN(C1C[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629676 970892587 /nfs/dbraw/zinc/89/25/87/970892587.db2.gz OSWICGZUPMESJX-FUNVUKJBSA-N 2 1 237.391 1.248 20 0 BDADMP CO[C@H](C)C1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256629708 970893270 /nfs/dbraw/zinc/89/32/70/970893270.db2.gz QDGFDLRHOJEFRJ-BKQLOGFTSA-N 2 1 238.375 1.578 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256630188 970893664 /nfs/dbraw/zinc/89/36/64/970893664.db2.gz OMHKKHCJGWUWSU-AWQNUYMJSA-N 2 1 249.402 1.390 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256630188 970893669 /nfs/dbraw/zinc/89/36/69/970893669.db2.gz OMHKKHCJGWUWSU-AWQNUYMJSA-N 2 1 249.402 1.390 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256630188 970893673 /nfs/dbraw/zinc/89/36/73/970893673.db2.gz OMHKKHCJGWUWSU-AWQNUYMJSA-N 2 1 249.402 1.390 20 0 BDADMP COc1cccc2c1CC[C@H]([NH2+]C(C)(C)C[NH3+])C2 ZINC001256632071 970897925 /nfs/dbraw/zinc/89/79/25/970897925.db2.gz DAJDQLLYEKTDLE-LBPRGKRZSA-N 2 1 248.370 1.879 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001256721957 970943106 /nfs/dbraw/zinc/94/31/06/970943106.db2.gz ZQJIXJNSUIDKGB-ZFWWWQNUSA-N 2 1 247.386 1.944 20 0 BDADMP C[N@@H+](C1COC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860632 970997525 /nfs/dbraw/zinc/99/75/25/970997525.db2.gz GTACBILZNHVTPO-UHFFFAOYSA-N 2 1 247.342 1.381 20 0 BDADMP C[NH+](C)CCN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895368 971009627 /nfs/dbraw/zinc/00/96/27/971009627.db2.gz CGYPZCHNMHXHTF-CYBMUJFWSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+](C)CCN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895368 971009640 /nfs/dbraw/zinc/00/96/40/971009640.db2.gz CGYPZCHNMHXHTF-CYBMUJFWSA-N 2 1 239.407 1.545 20 0 BDADMP [NH3+]Cc1cnnn1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901226 971014025 /nfs/dbraw/zinc/01/40/25/971014025.db2.gz FJFDAXLIMHFCHZ-LBPRGKRZSA-N 2 1 249.362 1.316 20 0 BDADMP [NH3+]CC1(N[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256908380 971018779 /nfs/dbraw/zinc/01/87/79/971018779.db2.gz KJBCDSFHWUWVRX-LBPRGKRZSA-N 2 1 237.391 1.474 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257082544 971091896 /nfs/dbraw/zinc/09/18/96/971091896.db2.gz AAWGQDFKYQIHKP-YFKTTZPYSA-N 2 1 214.353 1.469 20 0 BDADMP Cc1cn(C)nc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000724013082 971119915 /nfs/dbraw/zinc/11/99/15/971119915.db2.gz WKPIQZZVXGACAT-UHFFFAOYSA-N 2 1 234.347 1.080 20 0 BDADMP Cc1cn(C)nc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000724013082 971119918 /nfs/dbraw/zinc/11/99/18/971119918.db2.gz WKPIQZZVXGACAT-UHFFFAOYSA-N 2 1 234.347 1.080 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@@H]2CO)CC1 ZINC001257213522 971129700 /nfs/dbraw/zinc/12/97/00/971129700.db2.gz PEPXQXRCWQVCFX-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCCC[C@@H]2CO)CC1 ZINC001257213522 971129706 /nfs/dbraw/zinc/12/97/06/971129706.db2.gz PEPXQXRCWQVCFX-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)N1CCC([N@@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC001257215137 971131306 /nfs/dbraw/zinc/13/13/06/971131306.db2.gz SUADGFQJDRAWRZ-AAEUAGOBSA-N 2 1 226.364 1.172 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC001257215137 971131312 /nfs/dbraw/zinc/13/13/12/971131312.db2.gz SUADGFQJDRAWRZ-AAEUAGOBSA-N 2 1 226.364 1.172 20 0 BDADMP CC[NH+](CC)C[C@H](C)OC[C@@H]1CCC[N@H+]1C ZINC001224818311 974000459 /nfs/dbraw/zinc/00/04/59/974000459.db2.gz JMFZHEQROBVAJK-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241011 971221468 /nfs/dbraw/zinc/22/14/68/971221468.db2.gz BBKWPHORIJYHHH-VXGBXAGGSA-N 3 1 234.347 1.051 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405372270 971248773 /nfs/dbraw/zinc/24/87/73/971248773.db2.gz ZKDXYHSDCMIUEK-YNEHKIRRSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CO[C@H]1C ZINC000405534845 971269651 /nfs/dbraw/zinc/26/96/51/971269651.db2.gz AVJHEEIVDWFBNR-CYDGBPFRSA-N 2 1 226.364 1.341 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000405537266 971270469 /nfs/dbraw/zinc/27/04/69/971270469.db2.gz BSZWMRSQKWXHIP-NTZNESFSSA-N 2 1 226.364 1.484 20 0 BDADMP [NH3+]CCC[C@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC001217696595 971336218 /nfs/dbraw/zinc/33/62/18/971336218.db2.gz QFHLRUMDCBNGNL-JTQLQIEISA-N 2 1 232.287 1.475 20 0 BDADMP Cc1ccc(-c2nnc([C@H]([NH3+])CCC[NH3+])o2)cc1 ZINC001217695800 971336258 /nfs/dbraw/zinc/33/62/58/971336258.db2.gz KSFIGJBBXCTXIA-LLVKDONJSA-N 2 1 246.314 1.784 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)CC ZINC001257430432 971337066 /nfs/dbraw/zinc/33/70/66/971337066.db2.gz QQDFEWJALSDHKG-UWVGGRQHSA-N 2 1 216.325 1.045 20 0 BDADMP C[C@@H]1C[C@@H]1c1nnc([C@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001217733293 971374521 /nfs/dbraw/zinc/37/45/21/971374521.db2.gz QJSISJHHAPAYCB-FKTZTGRPSA-N 2 1 236.319 1.192 20 0 BDADMP C[N@H+]1CCC[C@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217829034 971423226 /nfs/dbraw/zinc/42/32/26/971423226.db2.gz DUVFLWFYKBGLAY-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+]1CCC[C@@H](OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217832298 971427193 /nfs/dbraw/zinc/42/71/93/971427193.db2.gz NYUGRSFTLOCVEU-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+]CC2CC(=O)C2)CC1 ZINC001258002888 971552915 /nfs/dbraw/zinc/55/29/15/971552915.db2.gz MADJOLAGFDQLER-UHFFFAOYSA-N 2 1 238.375 1.676 20 0 BDADMP CCOC(=O)CC1CCC([NH2+][C@@H]2C[C@H]2[NH3+])CC1 ZINC001258022571 971557586 /nfs/dbraw/zinc/55/75/86/971557586.db2.gz MBHVXRWKBHUSFV-KIDURHIOSA-N 2 1 240.347 1.188 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103668 974367740 /nfs/dbraw/zinc/36/77/40/974367740.db2.gz WKQZYDKUPPMYIT-YIYPIFLZSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1COC(C)(C)C1 ZINC001172271415 974485875 /nfs/dbraw/zinc/48/58/75/974485875.db2.gz VDPRTYQLHGCYEY-NSHDSACASA-N 2 1 214.353 1.613 20 0 BDADMP CC1(C)CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983781 971907762 /nfs/dbraw/zinc/90/77/62/971907762.db2.gz QOFVPTRXEPBLSC-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP N[C@H](CCC[NH3+])Nc1cccc(C2=[NH+]CCC2)c1 ZINC001170903225 972076378 /nfs/dbraw/zinc/07/63/78/972076378.db2.gz IBRSQPJKRKLAHC-AWEZNQCLSA-N 2 1 246.358 1.705 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246029273 972122123 /nfs/dbraw/zinc/12/21/23/972122123.db2.gz LOPWTMNAXWLDKG-QJPTWQEYSA-N 2 1 232.343 1.299 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090616 972144758 /nfs/dbraw/zinc/14/47/58/972144758.db2.gz KVMKHWLIMDDWLU-OCCSQVGLSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246102031 972161601 /nfs/dbraw/zinc/16/16/01/972161601.db2.gz WFAVTJRNHMMIJB-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246102031 972161604 /nfs/dbraw/zinc/16/16/04/972161604.db2.gz WFAVTJRNHMMIJB-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246102031 972161609 /nfs/dbraw/zinc/16/16/09/972161609.db2.gz WFAVTJRNHMMIJB-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP FC1(F)CC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246107459 972173851 /nfs/dbraw/zinc/17/38/51/972173851.db2.gz BEVQAOACVMBPHX-ZJUUUORDSA-N 2 1 218.291 1.763 20 0 BDADMP C1CC2(C[C@H]1[NH2+][C@H]1CCC[NH2+]C1)CC[NH2+]CC2 ZINC001246119484 972182945 /nfs/dbraw/zinc/18/29/45/972182945.db2.gz FNZKQUBYDRFDOL-STQMWFEESA-N 3 1 237.391 1.250 20 0 BDADMP O=C1C[C@H]2C[C@H]([NH2+][C@@H]3C[NH2+]CC34CC4)C[C@H]2C1 ZINC001246134580 972192151 /nfs/dbraw/zinc/19/21/51/972192151.db2.gz RHVOCMOJJMLSLI-MPPDQPJWSA-N 2 1 234.343 1.086 20 0 BDADMP O=C1C[C@H]2C[C@H]([NH2+][C@H]3C[NH2+]CC34CC4)C[C@H]2C1 ZINC001246134607 972191452 /nfs/dbraw/zinc/19/14/52/972191452.db2.gz RHVOCMOJJMLSLI-WGBDABJCSA-N 2 1 234.343 1.086 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@@H]1CCC[NH2+]C1 ZINC001246160193 972202280 /nfs/dbraw/zinc/20/22/80/972202280.db2.gz CROWOYLRGICRSX-CYBMUJFWSA-N 2 1 227.396 1.450 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246165418 972202348 /nfs/dbraw/zinc/20/23/48/972202348.db2.gz QKXGGVHFZVLPLI-ZDEQEGDKSA-N 3 1 225.380 1.234 20 0 BDADMP C[NH+](C)CCn1cc(NC2=CC[N@@H+](C)CC2)cn1 ZINC001208718749 957135158 /nfs/dbraw/zinc/13/51/58/957135158.db2.gz LNXUQULUHKZDRC-UHFFFAOYSA-N 2 1 249.362 1.076 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCOC)C[C@@H]2C1 ZINC001209055442 957307688 /nfs/dbraw/zinc/30/76/88/957307688.db2.gz YPLYDOFZEJVNCS-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCOC)C[C@@H]2C1 ZINC001209055442 957307705 /nfs/dbraw/zinc/30/77/05/957307705.db2.gz YPLYDOFZEJVNCS-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCOC)C[C@@H]2C1 ZINC001209055442 957307719 /nfs/dbraw/zinc/30/77/19/957307719.db2.gz YPLYDOFZEJVNCS-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC001346190637 957427853 /nfs/dbraw/zinc/42/78/53/957427853.db2.gz INKPCHFOBBROGW-LSDHHAIUSA-N 2 1 248.370 1.131 20 0 BDADMP C[C@H]([NH3+])CCN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246306966 972267963 /nfs/dbraw/zinc/26/79/63/972267963.db2.gz UMUWZTMJSFMAQK-ZFWWWQNUSA-N 2 1 247.386 1.588 20 0 BDADMP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246306966 972267967 /nfs/dbraw/zinc/26/79/67/972267967.db2.gz UMUWZTMJSFMAQK-ZFWWWQNUSA-N 2 1 247.386 1.588 20 0 BDADMP C[NH+](C)/C=C/c1ccncc1N[C@H]1CC[N@@H+](C)C1 ZINC001167284724 957644748 /nfs/dbraw/zinc/64/47/48/957644748.db2.gz OBMNVHAACXOTOV-LJLILKBBSA-N 2 1 246.358 1.730 20 0 BDADMP CCOCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001172406954 974664087 /nfs/dbraw/zinc/66/40/87/974664087.db2.gz QSQRGRZVQCVIGV-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CCCO[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000706526263 957950066 /nfs/dbraw/zinc/95/00/66/957950066.db2.gz OUXVBGWCVVHESG-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCCO2)CCC1(F)F ZINC000403139184 958407894 /nfs/dbraw/zinc/40/78/94/958407894.db2.gz CNDINYILDCBGOM-VHSXEESVSA-N 2 1 234.290 1.081 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCO2)CCC1(F)F ZINC000403139184 958407901 /nfs/dbraw/zinc/40/79/01/958407901.db2.gz CNDINYILDCBGOM-VHSXEESVSA-N 2 1 234.290 1.081 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000420959155 972354154 /nfs/dbraw/zinc/35/41/54/972354154.db2.gz FWBSCAWGECHEJH-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C(C1CCCC1)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222081195 972361407 /nfs/dbraw/zinc/36/14/07/972361407.db2.gz VHVAEARWMMXMET-UHFFFAOYSA-N 2 1 237.391 1.204 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC000707613287 958624370 /nfs/dbraw/zinc/62/43/70/958624370.db2.gz SEYXTVPMJVDDCI-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC000707613289 958626208 /nfs/dbraw/zinc/62/62/08/958626208.db2.gz SEYXTVPMJVDDCI-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693541975 958734317 /nfs/dbraw/zinc/73/43/17/958734317.db2.gz BAXFVCDYUOWTND-TXEJJXNPSA-N 2 1 225.380 1.140 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693541975 958734339 /nfs/dbraw/zinc/73/43/39/958734339.db2.gz BAXFVCDYUOWTND-TXEJJXNPSA-N 3 1 225.380 1.140 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693541975 958734352 /nfs/dbraw/zinc/73/43/52/958734352.db2.gz BAXFVCDYUOWTND-TXEJJXNPSA-N 3 1 225.380 1.140 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000724151259 958742156 /nfs/dbraw/zinc/74/21/56/958742156.db2.gz FMWDBTXGVBMVJR-VXGBXAGGSA-N 2 1 212.337 1.095 20 0 BDADMP CN(C)C1(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCC1 ZINC000693544482 958751988 /nfs/dbraw/zinc/75/19/88/958751988.db2.gz LIPCEVSDCQDJJT-TXEJJXNPSA-N 2 1 225.380 1.140 20 0 BDADMP C[NH+](C)CC(C)(C)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001207282707 958873638 /nfs/dbraw/zinc/87/36/38/958873638.db2.gz NCBHCQQVPXPOKP-BETUJISGSA-N 2 1 239.407 1.068 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H](N)C23CCC3)CC1 ZINC000405197025 959412346 /nfs/dbraw/zinc/41/23/46/959412346.db2.gz AVQJWEHGYCHLFU-QWHCGFSZSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001246528826 972428200 /nfs/dbraw/zinc/42/82/00/972428200.db2.gz IGPKMIWGYMVTRK-JOYOIKCWSA-N 2 1 237.372 1.424 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001246528826 972428206 /nfs/dbraw/zinc/42/82/06/972428206.db2.gz IGPKMIWGYMVTRK-JOYOIKCWSA-N 2 1 237.372 1.424 20 0 BDADMP [NH3+]CCCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385362 972451047 /nfs/dbraw/zinc/45/10/47/972451047.db2.gz KZEDTZSWBJKMSF-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385362 972451049 /nfs/dbraw/zinc/45/10/49/972451049.db2.gz KZEDTZSWBJKMSF-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C(C)C ZINC001207398447 959716853 /nfs/dbraw/zinc/71/68/53/959716853.db2.gz QWDSOIOTNIWAMJ-UHFFFAOYSA-N 2 1 228.380 1.685 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@](C)([NH3+])C1)C2 ZINC001246533017 972457534 /nfs/dbraw/zinc/45/75/34/972457534.db2.gz ZDJWBHCLBHNLIF-DZGCQCFKSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@](C)([NH3+])C1)C2 ZINC001246533017 972457539 /nfs/dbraw/zinc/45/75/39/972457539.db2.gz ZDJWBHCLBHNLIF-DZGCQCFKSA-N 2 1 246.354 1.586 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300028617 959813698 /nfs/dbraw/zinc/81/36/98/959813698.db2.gz JMZAMOFSPQOQHK-UONOGXRCSA-N 2 1 240.391 1.598 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000300038223 959826945 /nfs/dbraw/zinc/82/69/45/959826945.db2.gz FCQNOVKGRDTLTP-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCO1 ZINC000708874767 960002500 /nfs/dbraw/zinc/00/25/00/960002500.db2.gz LSBPDULUYBABJV-UMSGYPCISA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCC1=O ZINC001207436937 960090991 /nfs/dbraw/zinc/09/09/91/960090991.db2.gz XCHBZORQSODNSR-NSHDSACASA-N 2 1 224.348 1.287 20 0 BDADMP Cc1cnc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)nc1 ZINC000692603350 960332712 /nfs/dbraw/zinc/33/27/12/960332712.db2.gz YNICNWMAHJWLEA-LLVKDONJSA-N 2 1 234.347 1.344 20 0 BDADMP c1[nH]c2ccncc2c1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140804987 960607333 /nfs/dbraw/zinc/60/73/33/960607333.db2.gz NAAQQCQQLAFLEM-IINYFYTJSA-N 2 1 243.310 1.784 20 0 BDADMP c1nc2cc[nH]cc-2c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140804987 960607336 /nfs/dbraw/zinc/60/73/36/960607336.db2.gz NAAQQCQQLAFLEM-IINYFYTJSA-N 2 1 243.310 1.784 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140804987 960607345 /nfs/dbraw/zinc/60/73/45/960607345.db2.gz NAAQQCQQLAFLEM-IINYFYTJSA-N 2 1 243.310 1.784 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140804987 960607354 /nfs/dbraw/zinc/60/73/54/960607354.db2.gz NAAQQCQQLAFLEM-IINYFYTJSA-N 2 1 243.310 1.784 20 0 BDADMP Cc1cccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709448675 960611336 /nfs/dbraw/zinc/61/13/36/960611336.db2.gz OQLCLBRFOHVSTR-FUNVUKJBSA-N 2 1 231.343 1.763 20 0 BDADMP Cc1c[nH]c(CN2CCc3nccn3CC2)c1C ZINC001140861837 960641797 /nfs/dbraw/zinc/64/17/97/960641797.db2.gz PWKOAYIAPJPDEC-UHFFFAOYSA-N 2 1 244.342 1.886 20 0 BDADMP C[NH+]1CCC(O[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001222509969 960668744 /nfs/dbraw/zinc/66/87/44/960668744.db2.gz WCUNPGKNUXSKCU-LBPRGKRZSA-N 2 1 235.331 1.309 20 0 BDADMP C[C@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000925771257 961063549 /nfs/dbraw/zinc/06/35/49/961063549.db2.gz AKDDISPIAOTPLU-ORWNZLQRSA-N 2 1 222.376 1.866 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167893192 961505865 /nfs/dbraw/zinc/50/58/65/961505865.db2.gz FNKPQERPTHTIBF-URLYPYJESA-N 2 1 205.305 1.664 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167902716 961659631 /nfs/dbraw/zinc/65/96/31/961659631.db2.gz NVILNQRWPLHREM-LOWDOPEQSA-N 2 1 208.349 1.859 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1cccc2nonc21 ZINC001203124787 961802117 /nfs/dbraw/zinc/80/21/17/961802117.db2.gz XHTOFSUTONYHDG-UHFFFAOYSA-N 2 1 248.330 1.606 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2nonc21 ZINC001203124787 961802121 /nfs/dbraw/zinc/80/21/21/961802121.db2.gz XHTOFSUTONYHDG-UHFFFAOYSA-N 2 1 248.330 1.606 20 0 BDADMP [NH2+]=C(Nc1ccc2cnoc2c1)SCC[NH3+] ZINC001167915085 961838079 /nfs/dbraw/zinc/83/80/79/961838079.db2.gz QYURMNOCWRDKHM-UHFFFAOYSA-N 2 1 236.300 1.866 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167923416 961985547 /nfs/dbraw/zinc/98/55/47/961985547.db2.gz CUZOOMUZBGNURK-JGPRNRPPSA-N 2 1 205.305 1.745 20 0 BDADMP C[C@@H](CNc1cc(N)[nH+]cn1)C[NH+]1CCCC1 ZINC000133096431 962565376 /nfs/dbraw/zinc/56/53/76/962565376.db2.gz GMXMEBHKKWHTET-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP N[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648164 962598728 /nfs/dbraw/zinc/59/87/28/962598728.db2.gz MGHNZKOQMHTRAL-QWRGUYRKSA-N 2 1 247.333 1.044 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1COC[C@@H]1C ZINC000688050060 962845669 /nfs/dbraw/zinc/84/56/69/962845669.db2.gz SHDOLNRCAHHIEQ-RYUDHWBXSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(N)[nH+]cn1 ZINC001155031140 962943935 /nfs/dbraw/zinc/94/39/35/962943935.db2.gz LLOOCMUDIDOENB-UWVGGRQHSA-N 2 1 235.335 1.106 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(N)nc[nH+]1 ZINC001155031140 962943951 /nfs/dbraw/zinc/94/39/51/962943951.db2.gz LLOOCMUDIDOENB-UWVGGRQHSA-N 2 1 235.335 1.106 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(N)[nH+]cn1 ZINC001155031138 962947392 /nfs/dbraw/zinc/94/73/92/962947392.db2.gz LLOOCMUDIDOENB-NXEZZACHSA-N 2 1 235.335 1.106 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(N)nc[nH+]1 ZINC001155031138 962947404 /nfs/dbraw/zinc/94/74/04/962947404.db2.gz LLOOCMUDIDOENB-NXEZZACHSA-N 2 1 235.335 1.106 20 0 BDADMP Cc1nc(N[C@@H]2CC[NH2+][C@@H]2C)c(C)c(C)[nH+]1 ZINC001155188443 963016003 /nfs/dbraw/zinc/01/60/03/963016003.db2.gz HQVUAAYRNKYBTJ-MWLCHTKSSA-N 2 1 220.320 1.564 20 0 BDADMP Cc1c[nH+]c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(N)c1 ZINC001156396181 963333207 /nfs/dbraw/zinc/33/32/07/963333207.db2.gz UCSZVGIHVXZIJC-BXUZGUMPSA-N 2 1 246.358 1.360 20 0 BDADMP Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001161698526 963344119 /nfs/dbraw/zinc/34/41/19/963344119.db2.gz JGEQBEGVWHBFGZ-LLVKDONJSA-N 2 1 230.315 1.933 20 0 BDADMP C[C@@]1([NH3+])CCN(Cc2[nH+]cc3ccccn32)C1 ZINC001204770438 963397700 /nfs/dbraw/zinc/39/77/00/963397700.db2.gz DWLHSZBJVJKODD-CYBMUJFWSA-N 2 1 230.315 1.257 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCO[C@H](C)C1 ZINC001168074090 963608198 /nfs/dbraw/zinc/60/81/98/963608198.db2.gz HCVJKZVKMHEISD-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP Cc1[nH+]cn(C[C@@H]2CCCC[NH2+]C2)c1C ZINC000697002121 963620203 /nfs/dbraw/zinc/62/02/03/963620203.db2.gz XWCOIZKWIKYLAC-GFCCVEGCSA-N 2 1 207.321 1.890 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC[NH+](C)C)CCO1 ZINC001168107869 963741055 /nfs/dbraw/zinc/74/10/55/963741055.db2.gz YWMBPLQWIAQGAE-RYUDHWBXSA-N 2 1 214.353 1.437 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001168128260 963804288 /nfs/dbraw/zinc/80/42/88/963804288.db2.gz PIKKKCQBUKWEOF-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCO[C@@H](C)C2)CC1 ZINC001168128771 963806302 /nfs/dbraw/zinc/80/63/02/963806302.db2.gz UJDJNAMPDSSCFE-JSGCOSHPSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@@H](C)C2)CC1 ZINC001168128771 963806304 /nfs/dbraw/zinc/80/63/04/963806304.db2.gz UJDJNAMPDSSCFE-JSGCOSHPSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1cc2c(nc[nH+]c2NCC[C@H]2CCC[NH2+]2)[nH]1 ZINC001158628671 963898990 /nfs/dbraw/zinc/89/89/90/963898990.db2.gz IYPPSZXZKBGMPA-SNVBAGLBSA-N 2 1 245.330 1.820 20 0 BDADMP C[C@@H](Nc1cccc(C2CC2)[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159502346 964116023 /nfs/dbraw/zinc/11/60/23/964116023.db2.gz MDAFUHDBPAEPRK-MFKMUULPSA-N 2 1 247.342 1.748 20 0 BDADMP CC(C)[NH+]1CC(Nc2[nH+]ccc3c2CCN3)C1 ZINC001168312106 964415130 /nfs/dbraw/zinc/41/51/30/964415130.db2.gz WDUGVWFCSXWONK-UHFFFAOYSA-N 2 1 232.331 1.554 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC001168315764 964422050 /nfs/dbraw/zinc/42/20/50/964422050.db2.gz NZCPYPXQXNGVMM-WXRRBKDZSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001168324511 964445353 /nfs/dbraw/zinc/44/53/53/964445353.db2.gz QIJGTHAZRAYVGJ-JXQTWKCFSA-N 2 1 240.391 1.706 20 0 BDADMP CN1CC[C@H]([N@@H+](C)C2CCC([NH+](C)C)CC2)C1 ZINC001168323814 964449419 /nfs/dbraw/zinc/44/94/19/964449419.db2.gz CVWXRJAKKURKOA-RUXDESIVSA-N 2 1 239.407 1.495 20 0 BDADMP C[NH+](C)C1CCC(N2CC(C)([NH+](C)C)C2)CC1 ZINC001168327628 964459276 /nfs/dbraw/zinc/45/92/76/964459276.db2.gz PWBALWYLTTVBOC-UHFFFAOYSA-N 2 1 239.407 1.495 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CSC1 ZINC000697998425 964860222 /nfs/dbraw/zinc/86/02/22/964860222.db2.gz BDDYAPBGSSRDCU-NEPJUHHUSA-N 2 1 226.389 1.566 20 0 BDADMP Cn1ccc2c1nc[nH+]c2N[C@H]1C[C@@](C)([NH3+])C1 ZINC001162325379 964930110 /nfs/dbraw/zinc/93/01/10/964930110.db2.gz XMIVNHSBQAYLKY-LYWQIFSTSA-N 2 1 231.303 1.260 20 0 BDADMP Cc1cc2c[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)nc2[nH]1 ZINC001162390183 964950134 /nfs/dbraw/zinc/95/01/34/964950134.db2.gz CRKUKGSZXAQGPK-GHMZBOCLSA-N 2 1 245.330 1.900 20 0 BDADMP Cn1ccc2c[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)nc21 ZINC001162390891 964952263 /nfs/dbraw/zinc/95/22/63/964952263.db2.gz JORPYKNUAGYVDH-WDEREUQCSA-N 2 1 245.330 1.650 20 0 BDADMP COc1[nH+]ccc(N[C@@H]2CCC[C@H]([NH3+])C2)c1N ZINC001162396567 964954937 /nfs/dbraw/zinc/95/49/37/964954937.db2.gz LKIJHSJXAZPVNU-DTWKUNHWSA-N 2 1 236.319 1.354 20 0 BDADMP C[C@@H]1C[C@@H](CNc2ccc3[nH]c[nH+]c3c2)C[NH2+]1 ZINC001162559403 965050900 /nfs/dbraw/zinc/05/09/00/965050900.db2.gz OHDTVWXHCGABSZ-NXEZZACHSA-N 2 1 230.315 1.973 20 0 BDADMP OC[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168379379 965086269 /nfs/dbraw/zinc/08/62/69/965086269.db2.gz JFAXSWWUVSPXRX-CYBMUJFWSA-N 2 1 238.375 1.175 20 0 BDADMP Cc1ccc(N[C@@H]2CC[NH2+][C@@H]2C)[nH+]c1N ZINC001162670481 965106740 /nfs/dbraw/zinc/10/67/40/965106740.db2.gz NFNZCTJQJYZITG-RKDXNWHRSA-N 2 1 206.293 1.135 20 0 BDADMP Cc1ccc[nH+]c1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163066619 965251435 /nfs/dbraw/zinc/25/14/35/965251435.db2.gz VZVIFRKCNNFXMQ-LLVKDONJSA-N 2 1 233.315 1.180 20 0 BDADMP CC(C)c1cccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001163197358 965297053 /nfs/dbraw/zinc/29/70/53/965297053.db2.gz UKIBLUQOEJLQLG-BXUZGUMPSA-N 2 1 247.342 1.748 20 0 BDADMP CNc1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c[nH+]1 ZINC001163263035 965322347 /nfs/dbraw/zinc/32/23/47/965322347.db2.gz VTFKKCSVQRZYAK-USWWRNFRSA-N 2 1 232.331 1.533 20 0 BDADMP CC(C)N(C)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001163621783 965482793 /nfs/dbraw/zinc/48/27/93/965482793.db2.gz LWZXUNPOXAYAFP-UHFFFAOYSA-N 2 1 249.362 1.249 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000698774934 965499286 /nfs/dbraw/zinc/49/92/86/965499286.db2.gz MLTLMTXRILUAKD-UXCLJVHYSA-N 2 1 248.317 1.468 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[NH2+]1 ZINC000714979731 965575683 /nfs/dbraw/zinc/57/56/83/965575683.db2.gz WFHCEEYSMJXCPD-KOLCDFICSA-N 2 1 221.304 1.017 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1C ZINC001205094920 965734886 /nfs/dbraw/zinc/73/48/86/965734886.db2.gz RJIDEEPNLDOJJA-NSHDSACASA-N 2 1 222.336 1.042 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1C ZINC001205094920 965734895 /nfs/dbraw/zinc/73/48/95/965734895.db2.gz RJIDEEPNLDOJJA-NSHDSACASA-N 2 1 222.336 1.042 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001205095419 965741356 /nfs/dbraw/zinc/74/13/56/965741356.db2.gz XPPSDVCKOCDLGU-SNVBAGLBSA-N 2 1 221.304 1.100 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(=O)[nH]2)CC1 ZINC001205095419 965741365 /nfs/dbraw/zinc/74/13/65/965741365.db2.gz XPPSDVCKOCDLGU-SNVBAGLBSA-N 2 1 221.304 1.100 20 0 BDADMP Cc1c[nH]c2nc(N(CCC[NH3+])C(C)C)[nH+]cc12 ZINC001164122979 965746812 /nfs/dbraw/zinc/74/68/12/965746812.db2.gz UANHMUIJFMHTGX-UHFFFAOYSA-N 2 1 247.346 1.782 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)nc1 ZINC001205109060 965825609 /nfs/dbraw/zinc/82/56/09/965825609.db2.gz AAVGGGXBHPVAPA-LLVKDONJSA-N 2 1 235.331 1.403 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)nc1 ZINC001205109060 965825613 /nfs/dbraw/zinc/82/56/13/965825613.db2.gz AAVGGGXBHPVAPA-LLVKDONJSA-N 2 1 235.331 1.403 20 0 BDADMP C[N@H+]1CC[C@@H](c2ccc(N3CC[C@H]([NH3+])C3)cc2)C1 ZINC001164288273 965832469 /nfs/dbraw/zinc/83/24/69/965832469.db2.gz NFWSPTYRUZJLFK-KGLIPLIRSA-N 2 1 245.370 1.643 20 0 BDADMP C[N@@H+](CC1CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699303381 965834264 /nfs/dbraw/zinc/83/42/64/965834264.db2.gz BFBYGMDCKDTCOF-YHWZYXNKSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000699500007 965924024 /nfs/dbraw/zinc/92/40/24/965924024.db2.gz ZOPDAKVBMZWGOL-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CCNCC12CC2 ZINC001234972167 965985622 /nfs/dbraw/zinc/98/56/22/965985622.db2.gz AGKAPSDQHHBWFG-UHFFFAOYSA-N 2 1 249.402 1.204 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCNCC12CC2 ZINC001234972167 965985635 /nfs/dbraw/zinc/98/56/35/965985635.db2.gz AGKAPSDQHHBWFG-UHFFFAOYSA-N 2 1 249.402 1.204 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1COC[C@@H]1C ZINC000699625629 966012524 /nfs/dbraw/zinc/01/25/24/966012524.db2.gz HGIXABOAYYMJEX-JQWIXIFHSA-N 2 1 223.320 1.206 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000699647309 966022928 /nfs/dbraw/zinc/02/29/28/966022928.db2.gz RZGZPNHEYPQIDV-NTZNESFSSA-N 2 1 237.347 1.595 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccn3ccnc23)C[C@H]1C[NH3+] ZINC001205140955 966025851 /nfs/dbraw/zinc/02/58/51/966025851.db2.gz UUNHOHCFRBIWAG-WCQYABFASA-N 2 1 244.342 1.361 20 0 BDADMP C[n+]1cccc(NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001165300908 966040651 /nfs/dbraw/zinc/04/06/51/966040651.db2.gz UMBLBGJQVPTFFZ-ZDUSSCGKSA-N 2 1 234.367 1.655 20 0 BDADMP Nc1ccc(N2CCCCC23CC[NH2+]CC3)[nH+]c1 ZINC001165337228 966060203 /nfs/dbraw/zinc/06/02/03/966060203.db2.gz LAVLQLSVPDUXJP-UHFFFAOYSA-N 2 1 246.358 1.776 20 0 BDADMP c1cn2c([nH+]1)CC[C@H](OCC[NH+]1CCCCC1)C2 ZINC001206709859 966162485 /nfs/dbraw/zinc/16/24/85/966162485.db2.gz REETZTMUJGSVSX-ZDUSSCGKSA-N 2 1 249.358 1.700 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235996339 966224640 /nfs/dbraw/zinc/22/46/40/966224640.db2.gz XBWZPLKUPRZZLG-WCQYABFASA-N 2 1 233.315 1.019 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235996339 966224653 /nfs/dbraw/zinc/22/46/53/966224653.db2.gz XBWZPLKUPRZZLG-WCQYABFASA-N 2 1 233.315 1.019 20 0 BDADMP C[C@@H](C[NH+]1CC(C)(C[NH3+])C1)OCc1ccccc1 ZINC001206711725 966249017 /nfs/dbraw/zinc/24/90/17/966249017.db2.gz NPBCXBPOVMKCIY-ZDUSSCGKSA-N 2 1 248.370 1.872 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236058743 966258514 /nfs/dbraw/zinc/25/85/14/966258514.db2.gz AXAAPPQNVGDHCH-RMEBNNNOSA-N 2 1 232.371 1.882 20 0 BDADMP CCOC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380654 966652569 /nfs/dbraw/zinc/65/25/69/966652569.db2.gz GQCMYQMRKOZTMV-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380654 966652581 /nfs/dbraw/zinc/65/25/81/966652581.db2.gz GQCMYQMRKOZTMV-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+]C[C@]1(O)CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001205209332 966845019 /nfs/dbraw/zinc/84/50/19/966845019.db2.gz IPMIQXSDRSDRNG-VIFPVBQESA-N 2 1 240.269 1.115 20 0 BDADMP CC(C)CNC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000383645969 966903487 /nfs/dbraw/zinc/90/34/87/966903487.db2.gz GKZVDKIJJSDGKK-UHFFFAOYSA-N 2 1 243.395 1.210 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204763035 967152806 /nfs/dbraw/zinc/15/28/06/967152806.db2.gz FGSXBBSXQXFMMI-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP CS[C@@H](C)CC[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204763035 967152795 /nfs/dbraw/zinc/15/27/95/967152795.db2.gz FGSXBBSXQXFMMI-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP CN1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000715579047 967189882 /nfs/dbraw/zinc/18/98/82/967189882.db2.gz GVSYUNXWBSAQKG-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP CCc1nc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000693544816 967252760 /nfs/dbraw/zinc/25/27/60/967252760.db2.gz GJAQRLKIRCJXHM-AOOOYVTPSA-N 2 1 239.388 1.875 20 0 BDADMP CCC[N@@H+](C[C@H]1C[C@@H](OC)C1)C1CC[NH2+]CC1 ZINC000721934315 967259155 /nfs/dbraw/zinc/25/91/55/967259155.db2.gz YCDFAWGNAZARQH-XBXGTLAGSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]CC1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC001205026655 967297614 /nfs/dbraw/zinc/29/76/14/967297614.db2.gz VQKUHNBXPYQHCM-CQSZACIVSA-N 2 1 233.359 1.357 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205117875 967367626 /nfs/dbraw/zinc/36/76/26/967367626.db2.gz XOLGRTIKIDSJJV-JTQLQIEISA-N 2 1 209.293 1.296 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205117875 967367637 /nfs/dbraw/zinc/36/76/37/967367637.db2.gz XOLGRTIKIDSJJV-JTQLQIEISA-N 2 1 209.293 1.296 20 0 BDADMP Cc1nc(F)ccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117811 967367883 /nfs/dbraw/zinc/36/78/83/967367883.db2.gz VZMPWURGBIGYGX-GFCCVEGCSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1nc(F)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117811 967367892 /nfs/dbraw/zinc/36/78/92/967367892.db2.gz VZMPWURGBIGYGX-GFCCVEGCSA-N 2 1 237.322 1.842 20 0 BDADMP Nc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1F ZINC001205124344 967369578 /nfs/dbraw/zinc/36/95/78/967369578.db2.gz OPWJFHKHCLJEGX-LLVKDONJSA-N 2 1 237.322 1.721 20 0 BDADMP [NH3+]Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124105 967369711 /nfs/dbraw/zinc/36/97/11/967369711.db2.gz KFULKOVTKLYWMT-AWEZNQCLSA-N 3 1 233.359 1.459 20 0 BDADMP [NH3+]Cc1cccc(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205124105 967369713 /nfs/dbraw/zinc/36/97/13/967369713.db2.gz KFULKOVTKLYWMT-AWEZNQCLSA-N 2 1 233.359 1.459 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC001205131403 967376013 /nfs/dbraw/zinc/37/60/13/967376013.db2.gz XWNNOCWWJHWHPM-GXTWGEPZSA-N 3 1 239.407 1.245 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000721954154 967383451 /nfs/dbraw/zinc/38/34/51/967383451.db2.gz IDAZITTZEBENCT-IGQOVBAYSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000721954154 967383461 /nfs/dbraw/zinc/38/34/61/967383461.db2.gz IDAZITTZEBENCT-IGQOVBAYSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1C[C@H](C)O[C@@H](C)C1 ZINC001205177140 967413194 /nfs/dbraw/zinc/41/31/94/967413194.db2.gz AIOMVYSEDCIMTE-MEWQQHAOSA-N 2 1 226.364 1.612 20 0 BDADMP CCCCCC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210111 967429571 /nfs/dbraw/zinc/42/95/71/967429571.db2.gz MSJITOKQTVPOSA-ZDUSSCGKSA-N 2 1 228.380 1.742 20 0 BDADMP Cc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)n1 ZINC001205209428 967430403 /nfs/dbraw/zinc/43/04/03/967430403.db2.gz JITXGDPTLOAZAO-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP CNc1nccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205274403 967467787 /nfs/dbraw/zinc/46/77/87/967467787.db2.gz XCTGZKKGWADUGL-ZDUSSCGKSA-N 2 1 249.362 1.222 20 0 BDADMP CNc1nccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205274403 967467792 /nfs/dbraw/zinc/46/77/92/967467792.db2.gz XCTGZKKGWADUGL-ZDUSSCGKSA-N 2 1 249.362 1.222 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC001205280641 967470336 /nfs/dbraw/zinc/47/03/36/967470336.db2.gz FARNZECQEDMIML-CYBMUJFWSA-N 2 1 234.347 1.367 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205280699 967470936 /nfs/dbraw/zinc/47/09/36/967470936.db2.gz GOYFUCLNYLEYOL-AWEZNQCLSA-N 2 1 249.358 1.799 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)o1 ZINC001205288371 967480105 /nfs/dbraw/zinc/48/01/05/967480105.db2.gz JUUDPWRIGBDFPX-ZDUSSCGKSA-N 2 1 237.347 1.995 20 0 BDADMP C[C@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC001205296174 967495973 /nfs/dbraw/zinc/49/59/73/967495973.db2.gz IIFZAYAWHVMGAL-QWHCGFSZSA-N 3 1 239.407 1.293 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccnnc2)CC1 ZINC001205559263 967696733 /nfs/dbraw/zinc/69/67/33/967696733.db2.gz PPABTVTXKNYXCZ-LBPRGKRZSA-N 2 1 238.310 1.130 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cnco2)CC1 ZINC001205570081 967698347 /nfs/dbraw/zinc/69/83/47/967698347.db2.gz FCTXCYFOGXWXOY-NSHDSACASA-N 2 1 227.283 1.328 20 0 BDADMP Cc1nc[nH]c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602804 967718142 /nfs/dbraw/zinc/71/81/42/967718142.db2.gz MPERNXQAPXPPTD-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1C[NH3+] ZINC001205600505 967718829 /nfs/dbraw/zinc/71/88/29/967718829.db2.gz CCMDDPBWFVYFIZ-MGPQQGTHSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCC[NH3+])CC[C@H]1C[NH3+] ZINC001205602801 967719241 /nfs/dbraw/zinc/71/92/41/967719241.db2.gz MOUGQKVKWIXZKG-STQMWFEESA-N 3 1 227.396 1.422 20 0 BDADMP C[C@H]1CC[N@@H+](CC2(C)COC2)CC[C@H]1C[NH3+] ZINC001205603111 967719774 /nfs/dbraw/zinc/71/97/74/967719774.db2.gz NRVBGIMSTOSIGD-RYUDHWBXSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncccc2N)CC[C@H]1C[NH3+] ZINC001205616243 967727183 /nfs/dbraw/zinc/72/71/83/967727183.db2.gz DSKAHALXXYKIGS-NEPJUHHUSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccnnc2)CC[C@@H]1C[NH3+] ZINC001205627094 967735832 /nfs/dbraw/zinc/73/58/32/967735832.db2.gz MNHRECAKUNMDJC-DGCLKSJQSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2N)CC[C@H]1C[NH3+] ZINC001205626953 967737651 /nfs/dbraw/zinc/73/76/51/967737651.db2.gz KXSIZYGVGYLMHU-NEPJUHHUSA-N 2 1 248.374 1.471 20 0 BDADMP COC(=O)C1(C)CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001168754637 967837769 /nfs/dbraw/zinc/83/77/69/967837769.db2.gz IWHMCRAHNSWXJQ-XSRFYTQQSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)C1(C)CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001168754637 967837770 /nfs/dbraw/zinc/83/77/70/967837770.db2.gz IWHMCRAHNSWXJQ-XSRFYTQQSA-N 2 1 240.347 1.141 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H](F)CC2)O1 ZINC001205922802 967874287 /nfs/dbraw/zinc/87/42/87/967874287.db2.gz AUBRPVFVRFFRFG-MNOVXSKESA-N 2 1 230.327 1.535 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H](F)CC2)O1 ZINC001205922802 967874291 /nfs/dbraw/zinc/87/42/91/967874291.db2.gz AUBRPVFVRFFRFG-MNOVXSKESA-N 2 1 230.327 1.535 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCCCCO ZINC001205902256 967880349 /nfs/dbraw/zinc/88/03/49/967880349.db2.gz JIMWHUVPZNFNAP-VXGBXAGGSA-N 2 1 214.353 1.208 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205903034 967880670 /nfs/dbraw/zinc/88/06/70/967880670.db2.gz NDRCOINVFWPWEK-QWHCGFSZSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001205916195 967884079 /nfs/dbraw/zinc/88/40/79/967884079.db2.gz SRAYNWBVCYMSAX-DOMZBBRYSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cccc(C[NH3+])c1 ZINC001205916195 967884081 /nfs/dbraw/zinc/88/40/81/967884081.db2.gz SRAYNWBVCYMSAX-DOMZBBRYSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCC[C@@H]1C[NH3+] ZINC001205981824 967920766 /nfs/dbraw/zinc/92/07/66/967920766.db2.gz HPPWMDDSTCGRHO-ZYHUDNBSSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCC[C@@H]1C[NH3+] ZINC001205985664 967938203 /nfs/dbraw/zinc/93/82/03/967938203.db2.gz ZKONAMMIJGWNKW-ZIAGYGMSSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205992138 967942863 /nfs/dbraw/zinc/94/28/63/967942863.db2.gz DUXUDMGDFVJQJH-WDEREUQCSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnccc2N)CCC[C@H]1C[NH3+] ZINC001205996595 967950569 /nfs/dbraw/zinc/95/05/69/967950569.db2.gz XONNXTJFDITQNB-NEPJUHHUSA-N 2 1 248.374 1.301 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nccs2)CCC[C@H]1C[NH3+] ZINC001205992926 967953008 /nfs/dbraw/zinc/95/30/08/967953008.db2.gz GFIAOJLOJIKNQU-QWRGUYRKSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2c[nH]ccc2=O)CCC[C@@H]1C[NH3+] ZINC001206026262 967984813 /nfs/dbraw/zinc/98/48/13/967984813.db2.gz RDNGAVFNEYZMEQ-VXGBXAGGSA-N 2 1 249.358 1.182 20 0 BDADMP Cc1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)[nH+]c1 ZINC001163306197 968018456 /nfs/dbraw/zinc/01/84/56/968018456.db2.gz QLADUWVNRSSZTN-OCCSQVGLSA-N 2 1 247.342 1.713 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(C)F ZINC000698235473 968055112 /nfs/dbraw/zinc/05/51/12/968055112.db2.gz FCSKFQAYLJQWMB-NXEZZACHSA-N 2 1 202.317 1.855 20 0 BDADMP CCOCC[N@@H+](CC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699224713 968074163 /nfs/dbraw/zinc/07/41/63/968074163.db2.gz ARMCVJDALPMVIR-AGUYFDCRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](C)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156997 968094399 /nfs/dbraw/zinc/09/43/99/968094399.db2.gz VMHRIGCGEHAXKN-AXFHLTTASA-N 2 1 202.317 1.794 20 0 BDADMP CC[C@H](C)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156997 968094409 /nfs/dbraw/zinc/09/44/09/968094409.db2.gz VMHRIGCGEHAXKN-AXFHLTTASA-N 2 1 202.317 1.794 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001206163525 968102478 /nfs/dbraw/zinc/10/24/78/968102478.db2.gz DEMOOEZOKVEPQP-OLZOCXBDSA-N 2 1 238.306 1.653 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccoc2)CC[C@H]1F ZINC001206163656 968102631 /nfs/dbraw/zinc/10/26/31/968102631.db2.gz DPGBRUILWDOJGX-GHMZBOCLSA-N 2 1 212.268 1.541 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccoc2)CC[C@H]1F ZINC001206163656 968102645 /nfs/dbraw/zinc/10/26/45/968102645.db2.gz DPGBRUILWDOJGX-GHMZBOCLSA-N 2 1 212.268 1.541 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cn1 ZINC001206174571 968109007 /nfs/dbraw/zinc/10/90/07/968109007.db2.gz OGPQXZZCJPVBIZ-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cn1 ZINC001206174571 968109012 /nfs/dbraw/zinc/10/90/12/968109012.db2.gz OGPQXZZCJPVBIZ-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001206257285 968175138 /nfs/dbraw/zinc/17/51/38/968175138.db2.gz AFAZDCHLGAENHZ-STQMWFEESA-N 3 1 225.380 1.060 20 0 BDADMP C[C@H]1CNCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001206257285 968175144 /nfs/dbraw/zinc/17/51/44/968175144.db2.gz AFAZDCHLGAENHZ-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CNCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001206257285 968175148 /nfs/dbraw/zinc/17/51/48/968175148.db2.gz AFAZDCHLGAENHZ-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001206257387 968175994 /nfs/dbraw/zinc/17/59/94/968175994.db2.gz CGQOTHJZURIJAH-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CNCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001206257387 968176002 /nfs/dbraw/zinc/17/60/02/968176002.db2.gz CGQOTHJZURIJAH-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CNCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001206257387 968176005 /nfs/dbraw/zinc/17/60/05/968176005.db2.gz CGQOTHJZURIJAH-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)COC1 ZINC001206292485 968203961 /nfs/dbraw/zinc/20/39/61/968203961.db2.gz BVBGGYAPCJNUFX-LBPRGKRZSA-N 2 1 226.364 1.474 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206303591 968211110 /nfs/dbraw/zinc/21/11/10/968211110.db2.gz DKMORIHFUJRWPG-CYBMUJFWSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ncccc2O)CC1 ZINC001206304450 968211189 /nfs/dbraw/zinc/21/11/89/968211189.db2.gz KWKPCKYKLZFVHX-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncccc2O)CC1 ZINC001206304450 968211202 /nfs/dbraw/zinc/21/12/02/968211202.db2.gz KWKPCKYKLZFVHX-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206305402 968215826 /nfs/dbraw/zinc/21/58/26/968215826.db2.gz YJRJSPWLIDBJEZ-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)nc1 ZINC001206327909 968235498 /nfs/dbraw/zinc/23/54/98/968235498.db2.gz ZXACNUAJTOTEQO-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP Nc1nc(N2CCC3(CCCC[NH2+]3)CC2)cc[nH+]1 ZINC001165246626 968275329 /nfs/dbraw/zinc/27/53/29/968275329.db2.gz KFPJSUSIMQHSHZ-UHFFFAOYSA-N 2 1 247.346 1.171 20 0 BDADMP [NH3+][C@@H]1C[C@@H](F)CN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001206423905 968295485 /nfs/dbraw/zinc/29/54/85/968295485.db2.gz MHODKHMCUPJKLG-GHMZBOCLSA-N 2 1 248.305 1.434 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206511811 968345808 /nfs/dbraw/zinc/34/58/08/968345808.db2.gz CEQLIKSSLJIFKG-KBPBESRZSA-N 2 1 234.343 1.055 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206548140 968372971 /nfs/dbraw/zinc/37/29/71/968372971.db2.gz HMDOFKSJXPEJLT-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnccc2N)C1 ZINC001206550124 968377467 /nfs/dbraw/zinc/37/74/67/968377467.db2.gz VSFCJJWHWFVQMD-CQSZACIVSA-N 2 1 248.374 1.445 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnccc2N)C1 ZINC001206550124 968377471 /nfs/dbraw/zinc/37/74/71/968377471.db2.gz VSFCJJWHWFVQMD-CQSZACIVSA-N 2 1 248.374 1.445 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606535 968415429 /nfs/dbraw/zinc/41/54/29/968415429.db2.gz OKWOYONATJDZRG-CYBMUJFWSA-N 3 1 241.423 1.635 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606535 968415435 /nfs/dbraw/zinc/41/54/35/968415435.db2.gz OKWOYONATJDZRG-CYBMUJFWSA-N 3 1 241.423 1.635 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccncc2F)C1 ZINC001206616425 968420174 /nfs/dbraw/zinc/42/01/74/968420174.db2.gz OAOQRLKBXGTKJE-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccncc2F)C1 ZINC001206616425 968420179 /nfs/dbraw/zinc/42/01/79/968420179.db2.gz OAOQRLKBXGTKJE-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP CC[NH+]1C[C@H]2CN(Cc3c[nH+]c(C)n3C)C[C@@H]2C1 ZINC001206797394 968481676 /nfs/dbraw/zinc/48/16/76/968481676.db2.gz XPCSYWJMGKQLOQ-STQMWFEESA-N 2 1 248.374 1.112 20 0 BDADMP C[NH+](C)CC(C)(C)CNc1cc[nH+]c(CN)c1 ZINC001168768233 968569528 /nfs/dbraw/zinc/56/95/28/968569528.db2.gz ATNVCLZWHQGBTB-UHFFFAOYSA-N 2 1 236.363 1.540 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@@H]2C1 ZINC001207066499 968599254 /nfs/dbraw/zinc/59/92/54/968599254.db2.gz NBNWPVDSHPSCAG-NEPJUHHUSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(=O)[nH]3)C[C@@H]2C1 ZINC001207066499 968599271 /nfs/dbraw/zinc/59/92/71/968599271.db2.gz NBNWPVDSHPSCAG-NEPJUHHUSA-N 2 1 247.342 1.171 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207275034 968706901 /nfs/dbraw/zinc/70/69/01/968706901.db2.gz ISFLMQYNQGQUFL-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@]12CCOC2 ZINC001207285163 968720076 /nfs/dbraw/zinc/72/00/76/968720076.db2.gz ZGVGOYACODZFKA-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]12CCOC2 ZINC001207285163 968720080 /nfs/dbraw/zinc/72/00/80/968720080.db2.gz ZGVGOYACODZFKA-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCC1=O ZINC001207391619 968745156 /nfs/dbraw/zinc/74/51/56/968745156.db2.gz JGJNRZYVVFAKMB-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC3(COC3)C2)CC1 ZINC001207395037 968753169 /nfs/dbraw/zinc/75/31/69/968753169.db2.gz OHPQGOZAKRHZPT-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP FC1(F)C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207435947 968769241 /nfs/dbraw/zinc/76/92/41/968769241.db2.gz PKOWXJACUZHTCU-MNOVXSKESA-N 2 1 230.302 1.573 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001207435430 968770744 /nfs/dbraw/zinc/77/07/44/968770744.db2.gz FCMNHDZXRDHTHJ-CQSZACIVSA-N 2 1 238.375 1.631 20 0 BDADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2CC1CC[NH2+]CC1 ZINC001207437325 968771036 /nfs/dbraw/zinc/77/10/36/968771036.db2.gz TUXBSJXNRFZWSO-SDDRHHMPSA-N 2 1 212.312 1.418 20 0 BDADMP FC1(F)COC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001207440675 968772299 /nfs/dbraw/zinc/77/22/99/968772299.db2.gz BXTSAYNSEUSONE-UHFFFAOYSA-N 2 1 246.301 1.096 20 0 BDADMP CN(C)CC[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207479580 968792714 /nfs/dbraw/zinc/79/27/14/968792714.db2.gz KJSVZJXUUCWTJB-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP CN(CCC1CC[NH+](C)CC1)CC[NH+](C)C ZINC001207479580 968792722 /nfs/dbraw/zinc/79/27/22/968792722.db2.gz KJSVZJXUUCWTJB-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@H]1O ZINC001207479732 968793076 /nfs/dbraw/zinc/79/30/76/968793076.db2.gz MDYSNFBUYCERIB-WCQYABFASA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@H+](CCC1CC[NH+](C)CC1)CC(=O)OC ZINC001207488048 968801542 /nfs/dbraw/zinc/80/15/42/968801542.db2.gz DAILWMSYAZPCDL-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](CCC1CC[NH+](C)CC1)CC(=O)OC ZINC001207488048 968801547 /nfs/dbraw/zinc/80/15/47/968801547.db2.gz DAILWMSYAZPCDL-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCO1 ZINC000336652045 968817024 /nfs/dbraw/zinc/81/70/24/968817024.db2.gz WCDDVSMGIVYYNZ-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[N@H+](CC1(C)COC1)C1CC[NH+](C)CC1 ZINC001207788850 968882689 /nfs/dbraw/zinc/88/26/89/968882689.db2.gz RLPCASNKRIFAEY-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@@H+](CC1(C)COC1)C1CC[NH+](C)CC1 ZINC001207788850 968882692 /nfs/dbraw/zinc/88/26/92/968882692.db2.gz RLPCASNKRIFAEY-UHFFFAOYSA-N 2 1 212.337 1.049 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001207836616 968896517 /nfs/dbraw/zinc/89/65/17/968896517.db2.gz KARBTFVSPVSBSF-UHYZFRFASA-N 2 1 224.348 1.094 20 0 BDADMP C([C@@H]1CCCCO1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207964733 968963796 /nfs/dbraw/zinc/96/37/96/968963796.db2.gz QNPNJEIJCYMZQI-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP c1cnn(CCC[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001208086667 968991007 /nfs/dbraw/zinc/99/10/07/968991007.db2.gz QZXRSTPHAUNDOF-UHFFFAOYSA-N 2 1 248.374 1.443 20 0 BDADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001252808002 968994392 /nfs/dbraw/zinc/99/43/92/968994392.db2.gz AVFVVQZLFSRJTQ-IHRRRGAJSA-N 2 1 242.407 1.856 20 0 BDADMP CC[N@@H+](CCOC)CC1(C)CC[NH+](C)CC1 ZINC001208102242 968994393 /nfs/dbraw/zinc/99/43/93/968994393.db2.gz CRTKMPITLMXYHG-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)[C@H](C)CO1 ZINC001208108697 969001131 /nfs/dbraw/zinc/00/11/31/969001131.db2.gz HALLVBAMHAOGEN-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1COCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208106549 969001731 /nfs/dbraw/zinc/00/17/31/969001731.db2.gz GOAZKWAHEUMLOR-CYBMUJFWSA-N 2 1 240.391 1.687 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208105599 969003931 /nfs/dbraw/zinc/00/39/31/969003931.db2.gz ABVNJKIRVJLBQK-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H]1COCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208109616 969004913 /nfs/dbraw/zinc/00/49/13/969004913.db2.gz QJDWNJVZKXZDSM-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](Cc1ccno1)CC1(C)CC[NH+](C)CC1 ZINC001208110347 969006469 /nfs/dbraw/zinc/00/64/69/969006469.db2.gz BCBKIZDHLPXREZ-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001208114426 969006897 /nfs/dbraw/zinc/00/68/97/969006897.db2.gz WLNBNGBCTNJHHO-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCN3CC[C@@H]3C2)CC1 ZINC001208116534 969010388 /nfs/dbraw/zinc/01/03/88/969010388.db2.gz XHDLBDYEBRCETG-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC(C)(CN2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001208116534 969010402 /nfs/dbraw/zinc/01/04/02/969010402.db2.gz XHDLBDYEBRCETG-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+]1CCC(C)(CN2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001208116534 969010413 /nfs/dbraw/zinc/01/04/13/969010413.db2.gz XHDLBDYEBRCETG-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP CS[C@H](C)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001208154604 969077421 /nfs/dbraw/zinc/07/74/21/969077421.db2.gz MUPRWQMVMYDRMP-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CS[C@H](C)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001208154604 969077428 /nfs/dbraw/zinc/07/74/28/969077428.db2.gz MUPRWQMVMYDRMP-LLVKDONJSA-N 2 1 239.388 1.883 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](F)CC1 ZINC001253180382 969093568 /nfs/dbraw/zinc/09/35/68/969093568.db2.gz BNEFCVHGCKATMW-STQMWFEESA-N 2 1 246.370 1.513 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](F)CC1 ZINC001253180382 969093579 /nfs/dbraw/zinc/09/35/79/969093579.db2.gz BNEFCVHGCKATMW-STQMWFEESA-N 2 1 246.370 1.513 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001208592223 969146455 /nfs/dbraw/zinc/14/64/55/969146455.db2.gz FFSUEQFGTFSUGV-CHWSQXEVSA-N 2 1 244.354 1.123 20 0 BDADMP Cc1cc(C)[nH+]c(N[C@H]2CC[N@@H+](C)C2)c1 ZINC000379996876 969147684 /nfs/dbraw/zinc/14/76/84/969147684.db2.gz JYJVGVGTUIVFHL-NSHDSACASA-N 2 1 205.305 1.814 20 0 BDADMP Cc1cc(C)[nH+]c(N[C@H]2CC[N@H+](C)C2)c1 ZINC000379996876 969147694 /nfs/dbraw/zinc/14/76/94/969147694.db2.gz JYJVGVGTUIVFHL-NSHDSACASA-N 2 1 205.305 1.814 20 0 BDADMP CCC[N@@H+](CCOC)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384839 969149434 /nfs/dbraw/zinc/14/94/34/969149434.db2.gz JMHQYSSKCJHKBB-GFCCVEGCSA-N 2 1 246.395 1.094 20 0 BDADMP CC[NH+]1CCC(C[NH+]2CC3(CCO3)C2)CC1 ZINC001208598658 969152011 /nfs/dbraw/zinc/15/20/11/969152011.db2.gz WAZFTTLDKXSBSB-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H]2CN3C)CC1 ZINC001208602050 969157918 /nfs/dbraw/zinc/15/79/18/969157918.db2.gz WIYQPNPPOWKCFM-KBPBESRZSA-N 2 1 237.391 1.107 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208607204 969161532 /nfs/dbraw/zinc/16/15/32/969161532.db2.gz JQJOJNOHQIIMSU-IJLUTSLNSA-N 2 1 214.328 1.761 20 0 BDADMP COC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606887 969163505 /nfs/dbraw/zinc/16/35/05/969163505.db2.gz ISJKHNQUTYOZEV-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208606887 969163512 /nfs/dbraw/zinc/16/35/12/969163512.db2.gz ISJKHNQUTYOZEV-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208606887 969163520 /nfs/dbraw/zinc/16/35/20/969163520.db2.gz ISJKHNQUTYOZEV-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(COC3)C2)C1 ZINC001208608204 969164306 /nfs/dbraw/zinc/16/43/06/969164306.db2.gz RVGCNAGISKYXTQ-GFCCVEGCSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC3(COC3)C2)C1 ZINC001208608204 969164314 /nfs/dbraw/zinc/16/43/14/969164314.db2.gz RVGCNAGISKYXTQ-GFCCVEGCSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC3(COC3)C2)C1 ZINC001208608204 969164317 /nfs/dbraw/zinc/16/43/17/969164317.db2.gz RVGCNAGISKYXTQ-GFCCVEGCSA-N 2 1 224.348 1.051 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CCO3)CC2)C1 ZINC001208613132 969169701 /nfs/dbraw/zinc/16/97/01/969169701.db2.gz PSOPLHIJTZJRQZ-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CCO3)CC2)C1 ZINC001208613132 969169705 /nfs/dbraw/zinc/16/97/05/969169705.db2.gz PSOPLHIJTZJRQZ-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+](C)CCC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC001253441915 969174203 /nfs/dbraw/zinc/17/42/03/969174203.db2.gz WUEVZJFPCAMLEX-LBPRGKRZSA-N 2 1 246.395 1.046 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC001253441915 969174205 /nfs/dbraw/zinc/17/42/05/969174205.db2.gz WUEVZJFPCAMLEX-LBPRGKRZSA-N 2 1 246.395 1.046 20 0 BDADMP CC(C)O[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208618202 969177946 /nfs/dbraw/zinc/17/79/46/969177946.db2.gz SMRSZLNZFAUNQK-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)O[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208618202 969177948 /nfs/dbraw/zinc/17/79/48/969177948.db2.gz SMRSZLNZFAUNQK-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CCCCC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC001253520592 969197701 /nfs/dbraw/zinc/19/77/01/969197701.db2.gz VCQRABCLFASHIR-ZDUSSCGKSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC[C@H]1C[NH3+] ZINC001205993140 969224028 /nfs/dbraw/zinc/22/40/28/969224028.db2.gz HIFURAUWABYOMJ-OLZOCXBDSA-N 2 1 233.359 1.888 20 0 BDADMP CCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001253562501 969235118 /nfs/dbraw/zinc/23/51/18/969235118.db2.gz DMPHZZITQXSBRS-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cc2[nH+]ccn2cc1-n1cc(CC[NH3+])cn1 ZINC001168949312 969287992 /nfs/dbraw/zinc/28/79/92/969287992.db2.gz ISTYQBXRRXRQRQ-UHFFFAOYSA-N 2 1 241.298 1.330 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC(C)(C)O1)C2 ZINC001169097539 969391478 /nfs/dbraw/zinc/39/14/78/969391478.db2.gz BCTUKMLGMRHLMC-RNJOBUHISA-N 2 1 238.375 1.769 20 0 BDADMP CC(C)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080978 969402911 /nfs/dbraw/zinc/40/29/11/969402911.db2.gz OJPDRTFSYHQQKT-CLLJXQQHSA-N 2 1 226.364 1.626 20 0 BDADMP COC(=O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079801 969404078 /nfs/dbraw/zinc/40/40/78/969404078.db2.gz LQNRJDGBZPPRDV-CNDDSTCGSA-N 2 1 240.347 1.154 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC[C@@H]1CCC[N@@H+]1C)C2 ZINC001169090678 969409450 /nfs/dbraw/zinc/40/94/50/969409450.db2.gz KPVJYQLYUFYEDH-CRWXNKLISA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090678 969409456 /nfs/dbraw/zinc/40/94/56/969409456.db2.gz KPVJYQLYUFYEDH-CRWXNKLISA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090678 969409460 /nfs/dbraw/zinc/40/94/60/969409460.db2.gz KPVJYQLYUFYEDH-CRWXNKLISA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090678 969409464 /nfs/dbraw/zinc/40/94/64/969409464.db2.gz KPVJYQLYUFYEDH-CRWXNKLISA-N 2 1 237.391 1.295 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090678 969409468 /nfs/dbraw/zinc/40/94/68/969409468.db2.gz KPVJYQLYUFYEDH-CRWXNKLISA-N 2 1 237.391 1.295 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC001169123082 969422263 /nfs/dbraw/zinc/42/22/63/969422263.db2.gz ISEFRBAIUMNGSI-HPCHECBXSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@@H+](CC1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124524 969427889 /nfs/dbraw/zinc/42/78/89/969427889.db2.gz DSNHBJOURZZKKS-ITGUQSILSA-N 2 1 208.349 1.953 20 0 BDADMP C[NH+](CC1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124524 969427890 /nfs/dbraw/zinc/42/78/90/969427890.db2.gz DSNHBJOURZZKKS-ITGUQSILSA-N 2 1 208.349 1.953 20 0 BDADMP C[NH+](CC1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124524 969427891 /nfs/dbraw/zinc/42/78/91/969427891.db2.gz DSNHBJOURZZKKS-ITGUQSILSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126284 969432296 /nfs/dbraw/zinc/43/22/96/969432296.db2.gz RDBVKLTVUXYCJP-LBELIVKGSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126284 969432299 /nfs/dbraw/zinc/43/22/99/969432299.db2.gz RDBVKLTVUXYCJP-LBELIVKGSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126284 969432306 /nfs/dbraw/zinc/43/23/06/969432306.db2.gz RDBVKLTVUXYCJP-LBELIVKGSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126284 969432310 /nfs/dbraw/zinc/43/23/10/969432310.db2.gz RDBVKLTVUXYCJP-LBELIVKGSA-N 2 1 224.348 1.067 20 0 BDADMP COC[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126421 969432643 /nfs/dbraw/zinc/43/26/43/969432643.db2.gz SVOXVWLFCBSXJE-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126421 969432645 /nfs/dbraw/zinc/43/26/45/969432645.db2.gz SVOXVWLFCBSXJE-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126421 969432649 /nfs/dbraw/zinc/43/26/49/969432649.db2.gz SVOXVWLFCBSXJE-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC(=O)C1)C2 ZINC001169107474 969446724 /nfs/dbraw/zinc/44/67/24/969446724.db2.gz HRQFPOLKRKLUTI-FVCCEPFGSA-N 2 1 236.359 1.713 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC(=O)C1)C2 ZINC001169107474 969446731 /nfs/dbraw/zinc/44/67/31/969446731.db2.gz HRQFPOLKRKLUTI-FVCCEPFGSA-N 2 1 236.359 1.713 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169109304 969447900 /nfs/dbraw/zinc/44/79/00/969447900.db2.gz AFNADMDTOBMMOV-FQUUOJAGSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C2 ZINC001169114091 969453545 /nfs/dbraw/zinc/45/35/45/969453545.db2.gz WQQMHYKTLKRCPD-PPCPHDFISA-N 2 1 238.375 1.361 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169142177 969454882 /nfs/dbraw/zinc/45/48/82/969454882.db2.gz AJBVOQUIMZROFI-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142177 969454899 /nfs/dbraw/zinc/45/48/99/969454899.db2.gz AJBVOQUIMZROFI-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142177 969454915 /nfs/dbraw/zinc/45/49/15/969454915.db2.gz AJBVOQUIMZROFI-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142177 969454925 /nfs/dbraw/zinc/45/49/25/969454925.db2.gz AJBVOQUIMZROFI-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142177 969454934 /nfs/dbraw/zinc/45/49/34/969454934.db2.gz AJBVOQUIMZROFI-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP CCN(C1C[NH+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154232 969473842 /nfs/dbraw/zinc/47/38/42/969473842.db2.gz OSWICGZUPMESJX-CLLJXQQHSA-N 2 1 237.391 1.248 20 0 BDADMP CCN(C1C[NH+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154232 969473851 /nfs/dbraw/zinc/47/38/51/969473851.db2.gz OSWICGZUPMESJX-CLLJXQQHSA-N 2 1 237.391 1.248 20 0 BDADMP Cn1c[nH+]cc1-n1ncc2c1cccc2C[NH3+] ZINC001169189239 969480206 /nfs/dbraw/zinc/48/02/06/969480206.db2.gz STQBQHCSPWLXQS-UHFFFAOYSA-N 2 1 227.271 1.218 20 0 BDADMP C[N@@H+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160887 969481325 /nfs/dbraw/zinc/48/13/25/969481325.db2.gz MGHIVTCZMGFTMD-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160887 969481329 /nfs/dbraw/zinc/48/13/29/969481329.db2.gz MGHIVTCZMGFTMD-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160887 969481335 /nfs/dbraw/zinc/48/13/35/969481335.db2.gz MGHIVTCZMGFTMD-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC001169258551 969544070 /nfs/dbraw/zinc/54/40/70/969544070.db2.gz MAZOVZPIJSTZDF-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC001169258551 969544075 /nfs/dbraw/zinc/54/40/75/969544075.db2.gz MAZOVZPIJSTZDF-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC(N(C)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001169258734 969544550 /nfs/dbraw/zinc/54/45/50/969544550.db2.gz PJVJMLGVCRBDKA-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001209729930 969584718 /nfs/dbraw/zinc/58/47/18/969584718.db2.gz BMHLWPMDRNVODQ-NSHDSACASA-N 2 1 239.269 1.725 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001209729930 969584721 /nfs/dbraw/zinc/58/47/21/969584721.db2.gz BMHLWPMDRNVODQ-NSHDSACASA-N 2 1 239.269 1.725 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2c[nH+]ccc2N)C[C@@]1(C)O ZINC001209729524 969588131 /nfs/dbraw/zinc/58/81/31/969588131.db2.gz NFAOJWOGMSUBRT-ZWNOBZJWSA-N 2 1 235.331 1.087 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2c[nH+]ccc2N)C[C@@]1(C)O ZINC001209729524 969588139 /nfs/dbraw/zinc/58/81/39/969588139.db2.gz NFAOJWOGMSUBRT-ZWNOBZJWSA-N 2 1 235.331 1.087 20 0 BDADMP CCOCC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209731435 969595421 /nfs/dbraw/zinc/59/54/21/969595421.db2.gz QSLZMPDOLAUMNT-UHFFFAOYSA-N 2 1 249.358 1.743 20 0 BDADMP CC[C@@H]1CC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733655 969596384 /nfs/dbraw/zinc/59/63/84/969596384.db2.gz QXVFWEXULDULGC-SNVBAGLBSA-N 2 1 205.305 1.726 20 0 BDADMP CC[C@@H]1CC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733655 969596388 /nfs/dbraw/zinc/59/63/88/969596388.db2.gz QXVFWEXULDULGC-SNVBAGLBSA-N 2 1 205.305 1.726 20 0 BDADMP COCC[N@H+](Cc1c[nH+]ccc1N)C(C)C ZINC001209735146 969599059 /nfs/dbraw/zinc/59/90/59/969599059.db2.gz WGVWAMZDOVARBM-UHFFFAOYSA-N 2 1 223.320 1.351 20 0 BDADMP COCC[N@@H+](Cc1c[nH+]ccc1N)C(C)C ZINC001209735146 969599064 /nfs/dbraw/zinc/59/90/64/969599064.db2.gz WGVWAMZDOVARBM-UHFFFAOYSA-N 2 1 223.320 1.351 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]C2(CF)CC2)CC1 ZINC001254498344 969661951 /nfs/dbraw/zinc/66/19/51/969661951.db2.gz WCMZBHKOMDFHPX-SNVBAGLBSA-N 2 1 200.301 1.562 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2(CF)CC2)CC1 ZINC001254498344 969661957 /nfs/dbraw/zinc/66/19/57/969661957.db2.gz WCMZBHKOMDFHPX-SNVBAGLBSA-N 2 1 200.301 1.562 20 0 BDADMP CCOC(=O)[C@]1(C)CCCC[N@H+](C[C@H](C)[NH3+])C1 ZINC001209846875 969661327 /nfs/dbraw/zinc/66/13/27/969661327.db2.gz WQZGBXFBVJHSKJ-WCQYABFASA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC001209846875 969661334 /nfs/dbraw/zinc/66/13/34/969661334.db2.gz WQZGBXFBVJHSKJ-WCQYABFASA-N 2 1 242.363 1.389 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC001254502535 969667052 /nfs/dbraw/zinc/66/70/52/969667052.db2.gz FKMWYZUPZOSYSQ-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@@H](F)C2)CC1 ZINC001254502807 969669310 /nfs/dbraw/zinc/66/93/10/969669310.db2.gz HFXMCIWAVABMMS-MXWKQRLJSA-N 2 1 200.301 1.561 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)nc1 ZINC001254506829 969671359 /nfs/dbraw/zinc/67/13/59/969671359.db2.gz AZRWRASIKCZQRL-LBPRGKRZSA-N 2 1 249.358 1.664 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)nc1 ZINC001254506829 969671363 /nfs/dbraw/zinc/67/13/63/969671363.db2.gz AZRWRASIKCZQRL-LBPRGKRZSA-N 2 1 249.358 1.664 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254504023 969673731 /nfs/dbraw/zinc/67/37/31/969673731.db2.gz RAZJHVVCRSWDGL-ZDUSSCGKSA-N 2 1 234.347 1.359 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCC[N@H+](C)CC2)cn1 ZINC001254504023 969673737 /nfs/dbraw/zinc/67/37/37/969673737.db2.gz RAZJHVVCRSWDGL-ZDUSSCGKSA-N 2 1 234.347 1.359 20 0 BDADMP CN1CCC[C@@](C)([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254512774 969677998 /nfs/dbraw/zinc/67/79/98/969677998.db2.gz RMAKGTIULXNLCM-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP CN1CCC[C@](C)([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254512773 969678444 /nfs/dbraw/zinc/67/84/44/969678444.db2.gz RMAKGTIULXNLCM-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@@H+]1CCC[C@](C)(N[C@@H]2CCC[NH+](C)CC2)C1 ZINC001254512773 969678450 /nfs/dbraw/zinc/67/84/50/969678450.db2.gz RMAKGTIULXNLCM-KGLIPLIRSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@]23CCCOC3)CC1 ZINC001254511956 969681447 /nfs/dbraw/zinc/68/14/47/969681447.db2.gz HJSZXVAOFAWXHY-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@]23CCCOC3)CC1 ZINC001254511932 969681910 /nfs/dbraw/zinc/68/19/10/969681910.db2.gz HJSZXVAOFAWXHY-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP COC[C@@H]1CCCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254515690 969685009 /nfs/dbraw/zinc/68/50/09/969685009.db2.gz AYJLHBLYEUEKEZ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@@H]1CCCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254515690 969685023 /nfs/dbraw/zinc/68/50/23/969685023.db2.gz AYJLHBLYEUEKEZ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@@H]1CCCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254515690 969685029 /nfs/dbraw/zinc/68/50/29/969685029.db2.gz AYJLHBLYEUEKEZ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H](CO)c2cccnc2)CC1 ZINC001254514563 969686738 /nfs/dbraw/zinc/68/67/38/969686738.db2.gz MLNCDZRECSWRFF-ZIAGYGMSSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](CO)c2cccnc2)CC1 ZINC001254514563 969686744 /nfs/dbraw/zinc/68/67/44/969686744.db2.gz MLNCDZRECSWRFF-ZIAGYGMSSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@@H+](CC1CCOCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254516182 969687194 /nfs/dbraw/zinc/68/71/94/969687194.db2.gz KCYLRTGNYQUCHG-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC1CCOCC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254516182 969687202 /nfs/dbraw/zinc/68/72/02/969687202.db2.gz KCYLRTGNYQUCHG-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC1CCOCC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254516182 969687207 /nfs/dbraw/zinc/68/72/07/969687207.db2.gz KCYLRTGNYQUCHG-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](O)CC2)CC1 ZINC001254516460 969688757 /nfs/dbraw/zinc/68/87/57/969688757.db2.gz MPMTZMSEJRHHLA-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001254516460 969688762 /nfs/dbraw/zinc/68/87/62/969688762.db2.gz MPMTZMSEJRHHLA-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001254516460 969688765 /nfs/dbraw/zinc/68/87/65/969688765.db2.gz MPMTZMSEJRHHLA-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCOc2ccncc2)CC1 ZINC001254515330 969689075 /nfs/dbraw/zinc/68/90/75/969689075.db2.gz WEYLHJWDHFQLBK-CYBMUJFWSA-N 2 1 249.358 1.534 20 0 BDADMP C[N@H+]1CCC[C@H](n2cnc3c2C[NH2+]CC3)CC1 ZINC001254515825 969691393 /nfs/dbraw/zinc/69/13/93/969691393.db2.gz DQRFWFPVBIHSDU-NSHDSACASA-N 2 1 234.347 1.186 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccncc2)CC1 ZINC001254514035 969692680 /nfs/dbraw/zinc/69/26/80/969692680.db2.gz IOSFZCKXGDZUBC-ZIAGYGMSSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@@H](O)C2)CC1 ZINC001254517290 969693964 /nfs/dbraw/zinc/69/39/64/969693964.db2.gz UATRGTGFXYZSNS-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001254517290 969693972 /nfs/dbraw/zinc/69/39/72/969693972.db2.gz UATRGTGFXYZSNS-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001254517290 969693981 /nfs/dbraw/zinc/69/39/81/969693981.db2.gz UATRGTGFXYZSNS-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC3)C2)CC1 ZINC001254519680 969694218 /nfs/dbraw/zinc/69/42/18/969694218.db2.gz JUHNYYUQIRXOTN-GFCCVEGCSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC3(CC3)C2)CC1 ZINC001254519680 969694223 /nfs/dbraw/zinc/69/42/23/969694223.db2.gz JUHNYYUQIRXOTN-GFCCVEGCSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC3(CC3)C2)CC1 ZINC001254519680 969694225 /nfs/dbraw/zinc/69/42/25/969694225.db2.gz JUHNYYUQIRXOTN-GFCCVEGCSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC3(C2)CCOCC3)CC1 ZINC001254522557 969706523 /nfs/dbraw/zinc/70/65/23/969706523.db2.gz HBRVGIGBDQBNLQ-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@H](F)C2)CC1 ZINC001254522376 969711143 /nfs/dbraw/zinc/71/11/43/969711143.db2.gz FLBRXIRTRRTDRK-RYUDHWBXSA-N 2 1 214.328 1.905 20 0 BDADMP CCO[C@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254523769 969712129 /nfs/dbraw/zinc/71/21/29/969712129.db2.gz RKQAQOZHVLQDGS-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254523769 969712131 /nfs/dbraw/zinc/71/21/31/969712131.db2.gz RKQAQOZHVLQDGS-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254523769 969712143 /nfs/dbraw/zinc/71/21/43/969712143.db2.gz RKQAQOZHVLQDGS-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@@H](N2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001254521769 969713072 /nfs/dbraw/zinc/71/30/72/969713072.db2.gz XFQUDSXJVGXPMF-QNWHQSFQSA-N 2 1 226.339 1.761 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCc3cccnc3C2)CC1 ZINC001254530424 969727041 /nfs/dbraw/zinc/72/70/41/969727041.db2.gz XVORNNKWFUNDNJ-AWEZNQCLSA-N 2 1 245.370 1.924 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCc3cccnc3C2)CC1 ZINC001254530424 969727046 /nfs/dbraw/zinc/72/70/46/969727046.db2.gz XVORNNKWFUNDNJ-AWEZNQCLSA-N 2 1 245.370 1.924 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCc3cccnc3C2)CC1 ZINC001254530424 969727052 /nfs/dbraw/zinc/72/70/52/969727052.db2.gz XVORNNKWFUNDNJ-AWEZNQCLSA-N 2 1 245.370 1.924 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCc3cccnc3C2)CC1 ZINC001254530424 969727056 /nfs/dbraw/zinc/72/70/56/969727056.db2.gz XVORNNKWFUNDNJ-AWEZNQCLSA-N 2 1 245.370 1.924 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1CN([C@H]1CCC[NH+](C)CC1)C2 ZINC001254529861 969729453 /nfs/dbraw/zinc/72/94/53/969729453.db2.gz RTECDAVKWKXICE-MELADBBJSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN([C@H]1CCC[N@H+](C)CC1)C2 ZINC001254529861 969729457 /nfs/dbraw/zinc/72/94/57/969729457.db2.gz RTECDAVKWKXICE-MELADBBJSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1CN([C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254529861 969729465 /nfs/dbraw/zinc/72/94/65/969729465.db2.gz RTECDAVKWKXICE-MELADBBJSA-N 2 1 237.391 1.249 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCOC[C@@H]2C2CC2)CC1 ZINC001254531934 969730593 /nfs/dbraw/zinc/73/05/93/969730593.db2.gz NBSCHKMGDAJGDP-ZIAGYGMSSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCOC[C@@H]2C2CC2)CC1 ZINC001254531934 969730599 /nfs/dbraw/zinc/73/05/99/969730599.db2.gz NBSCHKMGDAJGDP-ZIAGYGMSSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC001254531934 969730607 /nfs/dbraw/zinc/73/06/07/969730607.db2.gz NBSCHKMGDAJGDP-ZIAGYGMSSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC001254531934 969730616 /nfs/dbraw/zinc/73/06/16/969730616.db2.gz NBSCHKMGDAJGDP-ZIAGYGMSSA-N 2 1 238.375 1.582 20 0 BDADMP CC(=O)N1CCC[C@@H]([N@H+](CCC[NH3+])C(C)C)C1 ZINC001169574298 969773749 /nfs/dbraw/zinc/77/37/49/969773749.db2.gz NKQUJUNOVCRRBA-CYBMUJFWSA-N 2 1 241.379 1.057 20 0 BDADMP C1C[C@@H]2CN([C@H]3CC4CC[NH+](CC4)C3)CC[N@H+]2C1 ZINC001254862059 969810678 /nfs/dbraw/zinc/81/06/78/969810678.db2.gz GXZZMBVGLQQODB-CABCVRRESA-N 2 1 249.402 1.251 20 0 BDADMP Nc1ccc(NCC23CC[NH+](CC2)CC3)c[nH+]1 ZINC001169796731 969860758 /nfs/dbraw/zinc/86/07/58/969860758.db2.gz UEWFRWWTWRTCIN-UHFFFAOYSA-N 2 1 232.331 1.562 20 0 BDADMP C[NH2+][C@H]1CCN1c1cc2[nH]ccc2c(C)[nH+]1 ZINC001156660967 969974269 /nfs/dbraw/zinc/97/42/69/969974269.db2.gz VXOVGUXKAGBMLI-LLVKDONJSA-N 2 1 216.288 1.627 20 0 BDADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(C[NH3+])CC2)C1 ZINC001255348167 970122965 /nfs/dbraw/zinc/12/29/65/970122965.db2.gz BUASFLZOOIIJGC-GHMZBOCLSA-N 2 1 240.347 1.189 20 0 BDADMP C[N@H+]1CC[C@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001255412612 970131499 /nfs/dbraw/zinc/13/14/99/970131499.db2.gz TUYKWVYFHJIDHB-LBPRGKRZSA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001255412610 970131602 /nfs/dbraw/zinc/13/16/02/970131602.db2.gz TUNKCCUXCZLTHW-LBPRGKRZSA-N 2 1 230.315 1.372 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@H]1CC[NH+](C)C1 ZINC001255412140 970132031 /nfs/dbraw/zinc/13/20/31/970132031.db2.gz LLCPZINSDLWQCX-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](CC)CCN[C@H]1CC[N@H+](C)C1 ZINC001255412140 970132035 /nfs/dbraw/zinc/13/20/35/970132035.db2.gz LLCPZINSDLWQCX-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP C[N@H+]1CC[C@@H](n2c3ccccc3nc2CC[NH3+])C1 ZINC001255413197 970133977 /nfs/dbraw/zinc/13/39/77/970133977.db2.gz UYWVVDYSCGPCRD-LLVKDONJSA-N 2 1 244.342 1.414 20 0 BDADMP CCN(CC[NH+](CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC001255435635 970164641 /nfs/dbraw/zinc/16/46/41/970164641.db2.gz JRUBMXXTNFGPEQ-CYBMUJFWSA-N 2 1 227.396 1.354 20 0 BDADMP CCCCC[NH+]1CCN([C@H]2CC[N@@H+](C)C2)CC1 ZINC001255437258 970166988 /nfs/dbraw/zinc/16/69/88/970166988.db2.gz ZLQDBLVEHBZZNP-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP C[NH2+]CCc1c(C)nn([C@H]2CC[N@@H+](C)C2)c1C ZINC001255438479 970169407 /nfs/dbraw/zinc/16/94/07/970169407.db2.gz MOVQPLJYMGDZIP-LBPRGKRZSA-N 2 1 236.363 1.138 20 0 BDADMP C[NH2+]CCN([C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001255441645 970171127 /nfs/dbraw/zinc/17/11/27/970171127.db2.gz PUEDSSCNBMBEQO-NSHDSACASA-N 2 1 213.369 1.010 20 0 BDADMP C[N@H+]1CCC[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001255468029 970193006 /nfs/dbraw/zinc/19/30/06/970193006.db2.gz OELLWORNEORRPN-UONOGXRCSA-N 2 1 245.370 1.471 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001255467371 970194810 /nfs/dbraw/zinc/19/48/10/970194810.db2.gz BKFQRUVLOYTOEO-JTQLQIEISA-N 2 1 237.322 1.791 20 0 BDADMP C[N@H+]1CCC[C@@H](n2c(C[NH3+])nc3cnccc32)C1 ZINC001255477000 970211490 /nfs/dbraw/zinc/21/14/90/970211490.db2.gz JEDJOJJEMGXKOR-SNVBAGLBSA-N 2 1 245.330 1.157 20 0 BDADMP CCN(CCC[NH+](C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC001255495947 970262663 /nfs/dbraw/zinc/26/26/63/970262663.db2.gz VSZBMFIORNVPCW-CYBMUJFWSA-N 2 1 227.396 1.354 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170106122 970304848 /nfs/dbraw/zinc/30/48/48/970304848.db2.gz ULNXHZOQKPXXFR-GRYCIOLGSA-N 2 1 242.363 1.435 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C)C1 ZINC001170106166 970307998 /nfs/dbraw/zinc/30/79/98/970307998.db2.gz VTHDQPNPPTUVDY-GARJFASQSA-N 2 1 228.336 1.045 20 0 BDADMP [NH3+][C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255689626 970457999 /nfs/dbraw/zinc/45/79/99/970457999.db2.gz CKFNMKNTXUZYFK-BZNPZCIMSA-N 2 1 222.254 1.797 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@@H]1CO ZINC001255955914 970592421 /nfs/dbraw/zinc/59/24/21/970592421.db2.gz XQBCWCWUIFBMBY-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[C@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001170202305 970598115 /nfs/dbraw/zinc/59/81/15/970598115.db2.gz GBOGTNHMQWWHTI-NEPJUHHUSA-N 2 1 237.347 1.905 20 0 BDADMP CC[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001170202306 970599016 /nfs/dbraw/zinc/59/90/16/970599016.db2.gz GBOGTNHMQWWHTI-NWDGAFQWSA-N 2 1 237.347 1.905 20 0 BDADMP O[C@H]1CCCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073365 970643593 /nfs/dbraw/zinc/64/35/93/970643593.db2.gz SQIGBPSYUUYLGK-AWEZNQCLSA-N 2 1 238.375 1.460 20 0 BDADMP O[C@H]1CCCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073365 970643598 /nfs/dbraw/zinc/64/35/98/970643598.db2.gz SQIGBPSYUUYLGK-AWEZNQCLSA-N 2 1 238.375 1.460 20 0 BDADMP C[NH+]1CCC([NH2+]C2CCN(CCF)CC2)CC1 ZINC001256198041 970689040 /nfs/dbraw/zinc/68/90/40/970689040.db2.gz ZOSLZCGKLOWSLT-UHFFFAOYSA-N 2 1 243.370 1.104 20 0 BDADMP CN(CC[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC001256195008 970689079 /nfs/dbraw/zinc/68/90/79/970689079.db2.gz WSOLJQOLGKEWDL-UHFFFAOYSA-N 2 1 247.386 1.807 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2F)CC1 ZINC001256194842 970692503 /nfs/dbraw/zinc/69/25/03/970692503.db2.gz QESSIAHPGCFFCY-CMPLNLGQSA-N 2 1 214.328 1.808 20 0 BDADMP C[NH+]1CCC([NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC001256202360 970703365 /nfs/dbraw/zinc/70/33/65/970703365.db2.gz WNPPKPGOTBNHKY-RYUDHWBXSA-N 2 1 208.349 1.813 20 0 BDADMP CN1CCC([N@@H+]2CCC[C@@H](F)C2)CC1 ZINC001256208180 970711541 /nfs/dbraw/zinc/71/15/41/970711541.db2.gz YCVBYYNZXSBMDJ-SNVBAGLBSA-N 2 1 200.301 1.515 20 0 BDADMP CN1CCC([N@H+]2CCC[C@@H](F)C2)CC1 ZINC001256208180 970711546 /nfs/dbraw/zinc/71/15/46/970711546.db2.gz YCVBYYNZXSBMDJ-SNVBAGLBSA-N 2 1 200.301 1.515 20 0 BDADMP CSC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256207778 970712744 /nfs/dbraw/zinc/71/27/44/970712744.db2.gz SYLYXYNMELOPDJ-UHFFFAOYSA-N 2 1 228.405 1.908 20 0 BDADMP CCCO[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001256207973 970713922 /nfs/dbraw/zinc/71/39/22/970713922.db2.gz STNQPHQURVUHDV-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CCCO[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256207973 970713926 /nfs/dbraw/zinc/71/39/26/970713926.db2.gz STNQPHQURVUHDV-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CCCO[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256207973 970713944 /nfs/dbraw/zinc/71/39/44/970713944.db2.gz STNQPHQURVUHDV-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H](C)C1C[NH+](C2CC[NH+](C)CC2)C1 ZINC001256211488 970718178 /nfs/dbraw/zinc/71/81/78/970718178.db2.gz YIMOTUQXFOCMPS-SNVBAGLBSA-N 2 1 212.337 1.047 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542292 972567318 /nfs/dbraw/zinc/56/73/18/972567318.db2.gz JUBOINHMJSBREZ-UONOGXRCSA-N 2 1 242.407 1.987 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3ccc(O)cn3)C2)CC1 ZINC001144263183 972716672 /nfs/dbraw/zinc/71/66/72/972716672.db2.gz NKBDNJHLRILCDJ-UHFFFAOYSA-N 2 1 247.342 1.315 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CO1 ZINC001246554209 972743467 /nfs/dbraw/zinc/74/34/67/972743467.db2.gz DBWONBPSWMVKNQ-VHSXEESVSA-N 2 1 248.317 1.470 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CO1 ZINC001246554209 972743476 /nfs/dbraw/zinc/74/34/76/972743476.db2.gz DBWONBPSWMVKNQ-VHSXEESVSA-N 2 1 248.317 1.470 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CO1 ZINC001246554211 972744720 /nfs/dbraw/zinc/74/47/20/972744720.db2.gz DBWONBPSWMVKNQ-ZJUUUORDSA-N 2 1 248.317 1.470 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CO1 ZINC001246554211 972744730 /nfs/dbraw/zinc/74/47/30/972744730.db2.gz DBWONBPSWMVKNQ-ZJUUUORDSA-N 2 1 248.317 1.470 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CCO1 ZINC001246554140 972746042 /nfs/dbraw/zinc/74/60/42/972746042.db2.gz BFXKEIXTBAJZEP-XQQFMLRXSA-N 2 1 244.354 1.707 20 0 BDADMP CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001246556724 972763025 /nfs/dbraw/zinc/76/30/25/972763025.db2.gz JPHHOEJQOKTDJR-RRFJBIMHSA-N 2 1 248.370 1.402 20 0 BDADMP CCC[C@@H](Cc1ccccc1)N1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246556724 972763040 /nfs/dbraw/zinc/76/30/40/972763040.db2.gz JPHHOEJQOKTDJR-RRFJBIMHSA-N 2 1 248.370 1.402 20 0 BDADMP CSCC[C@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557315 972771947 /nfs/dbraw/zinc/77/19/47/972771947.db2.gz HUJBSYODJNUIBK-RYUDHWBXSA-N 2 1 246.420 1.304 20 0 BDADMP C[NH2+][C@@H](C)CCNCc1ccc2c(c1)C[NH2+]CC2 ZINC001327888792 972789523 /nfs/dbraw/zinc/78/95/23/972789523.db2.gz LRDNUISDLNBXFF-LBPRGKRZSA-N 2 1 247.386 1.420 20 0 BDADMP CC(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246560735 972791282 /nfs/dbraw/zinc/79/12/82/972791282.db2.gz SQAMVHXGPYLKSU-NWINJMCUSA-N 2 1 240.391 1.595 20 0 BDADMP Cc1cc(NCC(C)(C)[NH3+])c2[nH+]ccn2c1 ZINC001171192384 972845633 /nfs/dbraw/zinc/84/56/33/972845633.db2.gz DZMSASQVODCBFN-UHFFFAOYSA-N 2 1 218.304 1.792 20 0 BDADMP CC(C)C1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583202 972951031 /nfs/dbraw/zinc/95/10/31/972951031.db2.gz IOTWHWOXXCXAIV-YIOUJQMASA-N 2 1 240.391 1.453 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246591505 972997408 /nfs/dbraw/zinc/99/74/08/972997408.db2.gz JATWVJVGCRILGM-XJFOESAGSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246591505 972997417 /nfs/dbraw/zinc/99/74/17/972997417.db2.gz JATWVJVGCRILGM-XJFOESAGSA-N 3 1 239.407 1.576 20 0 BDADMP [NH3+]C1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246601579 973021302 /nfs/dbraw/zinc/02/13/02/973021302.db2.gz JYZMBAZPGBFSGN-PBWFPOADSA-N 3 1 249.402 1.473 20 0 BDADMP CC(C)CC[C@H](C)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246627681 973045366 /nfs/dbraw/zinc/04/53/66/973045366.db2.gz YKAOBRAFFYBWCK-BFHYXJOUSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246640209 973058060 /nfs/dbraw/zinc/05/80/60/973058060.db2.gz BXMZQWLYNBFRAI-STQMWFEESA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@H](C)C1 ZINC001246810497 973110212 /nfs/dbraw/zinc/11/02/12/973110212.db2.gz NRUJNTYWPQJYMT-UPJWGTAASA-N 2 1 237.391 1.201 20 0 BDADMP N[C@@]12C[C@@H]1C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246870827 973249567 /nfs/dbraw/zinc/24/95/67/973249567.db2.gz PEDFLCWGHXGEPN-XSCHDIRWSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246870827 973249583 /nfs/dbraw/zinc/24/95/83/973249583.db2.gz PEDFLCWGHXGEPN-XSCHDIRWSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246870827 973249599 /nfs/dbraw/zinc/24/95/99/973249599.db2.gz PEDFLCWGHXGEPN-XSCHDIRWSA-N 3 1 249.402 1.332 20 0 BDADMP CCn1nc(C)c(C[NH2+]CC[C@@H](C)[NH2+]C)c1C ZINC001328678513 973269698 /nfs/dbraw/zinc/26/96/98/973269698.db2.gz XNKDHMMHNVTDRR-SNVBAGLBSA-N 2 1 238.379 1.607 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCc3ccc(N)cc3C2)CC[NH2+]1 ZINC001246905451 973384815 /nfs/dbraw/zinc/38/48/15/973384815.db2.gz MJJXOBFVMVQHFO-XHDPSFHLSA-N 2 1 245.370 1.767 20 0 BDADMP CC1(C)CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922400 973509085 /nfs/dbraw/zinc/50/90/85/973509085.db2.gz WDNCIZUUZKJSGN-ZYHUDNBSSA-N 2 1 208.349 1.859 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922400 973509103 /nfs/dbraw/zinc/50/91/03/973509103.db2.gz WDNCIZUUZKJSGN-ZYHUDNBSSA-N 2 1 208.349 1.859 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246980700 973731588 /nfs/dbraw/zinc/73/15/88/973731588.db2.gz RQUDCGUBTPFJRG-YIYPIFLZSA-N 2 1 237.391 1.010 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246980700 973731606 /nfs/dbraw/zinc/73/16/06/973731606.db2.gz RQUDCGUBTPFJRG-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246980700 973731618 /nfs/dbraw/zinc/73/16/18/973731618.db2.gz RQUDCGUBTPFJRG-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP CC[N@H+]1C[C@H]2CN([C@@H]3CC[NH2+][C@H](C)C3)C[C@H]2C1 ZINC001246980700 973731627 /nfs/dbraw/zinc/73/16/27/973731627.db2.gz RQUDCGUBTPFJRG-YIYPIFLZSA-N 2 1 237.391 1.010 20 0 BDADMP CC[N@@H+]1C[C@H]2CN([C@@H]3CC[NH2+][C@H](C)C3)C[C@H]2C1 ZINC001246980700 973731644 /nfs/dbraw/zinc/73/16/44/973731644.db2.gz RQUDCGUBTPFJRG-YIYPIFLZSA-N 2 1 237.391 1.010 20 0 BDADMP C[NH+]1CCC(OC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001224701045 973867518 /nfs/dbraw/zinc/86/75/18/973867518.db2.gz CGGOWKVAMITLOQ-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@H](OCCC[NH+]2CCCCC2)C1 ZINC001224856172 974032042 /nfs/dbraw/zinc/03/20/42/974032042.db2.gz XYTXNVRHEVYQSL-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H]1C[C@H](NOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171726600 974141162 /nfs/dbraw/zinc/14/11/62/974141162.db2.gz YOELVLBONYBIDD-OCCSQVGLSA-N 2 1 249.358 1.129 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(C)C ZINC001171769958 974153815 /nfs/dbraw/zinc/15/38/15/974153815.db2.gz ITUVULUBDVXCKL-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001206152799 974229736 /nfs/dbraw/zinc/22/97/36/974229736.db2.gz AWUXWEBDQYYLDZ-QWHCGFSZSA-N 2 1 238.306 1.653 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001206152799 974229747 /nfs/dbraw/zinc/22/97/47/974229747.db2.gz AWUXWEBDQYYLDZ-QWHCGFSZSA-N 2 1 238.306 1.653 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001206152798 974231988 /nfs/dbraw/zinc/23/19/88/974231988.db2.gz AWUXWEBDQYYLDZ-OLZOCXBDSA-N 2 1 238.306 1.653 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001206152798 974231993 /nfs/dbraw/zinc/23/19/93/974231993.db2.gz AWUXWEBDQYYLDZ-OLZOCXBDSA-N 2 1 238.306 1.653 20 0 BDADMP CC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154171 974315561 /nfs/dbraw/zinc/31/55/61/974315561.db2.gz HFAVTPWXGIDZIS-UWVGGRQHSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)(C)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154171 974315572 /nfs/dbraw/zinc/31/55/72/974315572.db2.gz HFAVTPWXGIDZIS-UWVGGRQHSA-N 2 1 202.317 1.794 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(C)(C)C[NH3+])C2 ZINC001172099382 974340610 /nfs/dbraw/zinc/34/06/10/974340610.db2.gz KCQRVJKBQRPBTM-CNDDSTCGSA-N 2 1 225.380 1.329 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001172100484 974344263 /nfs/dbraw/zinc/34/42/63/974344263.db2.gz RILOGWYMCLWQBF-RKQHYHRCSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001172100484 974344272 /nfs/dbraw/zinc/34/42/72/974344272.db2.gz RILOGWYMCLWQBF-RKQHYHRCSA-N 2 1 238.375 1.505 20 0 BDADMP Cn1nccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099821 974344516 /nfs/dbraw/zinc/34/45/16/974344516.db2.gz KRTDONHLIZEQJW-CLLJXQQHSA-N 2 1 248.374 1.525 20 0 BDADMP C[C@@H](C[NH+](C)C)Oc1cccnc1C[NH+](C)C ZINC001225279443 974346689 /nfs/dbraw/zinc/34/66/89/974346689.db2.gz YATXXGJTGKJVRD-NSHDSACASA-N 2 1 237.347 1.472 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CO)C2 ZINC001172099497 974347314 /nfs/dbraw/zinc/34/73/14/974347314.db2.gz IROOXIQYGBKDOX-CNDDSTCGSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CO)C2 ZINC001172099497 974347318 /nfs/dbraw/zinc/34/73/18/974347318.db2.gz IROOXIQYGBKDOX-CNDDSTCGSA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103185 974360177 /nfs/dbraw/zinc/36/01/77/974360177.db2.gz UGYUDKIMBYTRDC-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccnn1)C2 ZINC001172101744 974361928 /nfs/dbraw/zinc/36/19/28/974361928.db2.gz AUONQMZHUYZIEW-BTTYYORXSA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccnn1)C2 ZINC001172101744 974361937 /nfs/dbraw/zinc/36/19/37/974361937.db2.gz AUONQMZHUYZIEW-BTTYYORXSA-N 2 1 246.358 1.582 20 0 BDADMP CSCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102109 974362707 /nfs/dbraw/zinc/36/27/07/974362707.db2.gz JTSRSFHEXGHUQQ-ZSBIGDGJSA-N 2 1 228.405 1.954 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCO1)C2 ZINC001172108175 974367520 /nfs/dbraw/zinc/36/75/20/974367520.db2.gz QZVKSYPGBUIWRZ-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CSC1)C2 ZINC001172108744 974375547 /nfs/dbraw/zinc/37/55/47/974375547.db2.gz YPOBRSZQCVXGTJ-YHPBZONMSA-N 2 1 226.389 1.707 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnoc1)C2 ZINC001172108232 974376690 /nfs/dbraw/zinc/37/66/90/974376690.db2.gz SPGPDHNVSRAMFZ-XYYAHUGASA-N 2 1 235.331 1.780 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnoc1)C2 ZINC001172108232 974376700 /nfs/dbraw/zinc/37/67/00/974376700.db2.gz SPGPDHNVSRAMFZ-XYYAHUGASA-N 2 1 235.331 1.780 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120340 974380972 /nfs/dbraw/zinc/38/09/72/974380972.db2.gz JYZJSHBVXYCZBV-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120340 974380983 /nfs/dbraw/zinc/38/09/83/974380983.db2.gz JYZJSHBVXYCZBV-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172120340 974380997 /nfs/dbraw/zinc/38/09/97/974380997.db2.gz JYZJSHBVXYCZBV-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172120340 974380999 /nfs/dbraw/zinc/38/09/99/974380999.db2.gz JYZJSHBVXYCZBV-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119213 974384956 /nfs/dbraw/zinc/38/49/56/974384956.db2.gz WDSUHVXXQMHMSL-FQUUOJAGSA-N 2 1 239.407 1.528 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C2)C1 ZINC001172244507 974509450 /nfs/dbraw/zinc/50/94/50/974509450.db2.gz OJZPQQXABZHLQM-JALIKCBVSA-N 2 1 248.370 1.500 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3C[C@@H]4C=C[C@H](C3)O4)C2)C1 ZINC001172244507 974509456 /nfs/dbraw/zinc/50/94/56/974509456.db2.gz OJZPQQXABZHLQM-JALIKCBVSA-N 2 1 248.370 1.500 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C3C[C@@H]4C=C[C@H](C3)O4)C2)C1 ZINC001172244507 974509463 /nfs/dbraw/zinc/50/94/63/974509463.db2.gz OJZPQQXABZHLQM-JALIKCBVSA-N 2 1 248.370 1.500 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+](CC[NH3+])CCO)C[C@@H]1C ZINC001172359535 974630542 /nfs/dbraw/zinc/63/05/42/974630542.db2.gz JZFHFGAEJOMTDZ-WOPDTQHZSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+](CC[NH3+])CCO)C[C@@H]1C ZINC001172359535 974630545 /nfs/dbraw/zinc/63/05/45/974630545.db2.gz JZFHFGAEJOMTDZ-WOPDTQHZSA-N 2 1 214.353 1.064 20 0 BDADMP CCOCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172408124 974668327 /nfs/dbraw/zinc/66/83/27/974668327.db2.gz FEUXQAZDVXEZCW-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CCOCC[C@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001172409559 974670494 /nfs/dbraw/zinc/67/04/94/974670494.db2.gz WVCWEHZZJGXQAH-LBPRGKRZSA-N 2 1 216.369 1.861 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001172439164 974794969 /nfs/dbraw/zinc/79/49/69/974794969.db2.gz ZMBAGNLBANDZAK-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001172439164 974794965 /nfs/dbraw/zinc/79/49/65/974794965.db2.gz ZMBAGNLBANDZAK-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC001331900110 974856017 /nfs/dbraw/zinc/85/60/17/974856017.db2.gz CADCJDCVMQNIOC-IJLUTSLNSA-N 2 1 238.379 1.241 20 0 BDADMP CO[C@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001172941973 974997916 /nfs/dbraw/zinc/99/79/16/974997916.db2.gz HJHSIPCQFSTRST-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001172941973 974997921 /nfs/dbraw/zinc/99/79/21/974997921.db2.gz HJHSIPCQFSTRST-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001172941973 974997925 /nfs/dbraw/zinc/99/79/25/974997925.db2.gz HJHSIPCQFSTRST-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP Nc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188896 975019460 /nfs/dbraw/zinc/01/94/60/975019460.db2.gz WBOUXGPAPJXFQE-STQMWFEESA-N 2 1 237.322 1.530 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188896 975019463 /nfs/dbraw/zinc/01/94/63/975019463.db2.gz WBOUXGPAPJXFQE-STQMWFEESA-N 2 1 237.322 1.530 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC001332378120 975080827 /nfs/dbraw/zinc/08/08/27/975080827.db2.gz VNJMKKAGQKLQSD-LBPRGKRZSA-N 2 1 238.379 1.242 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@H]([NH+](C)C3CC3)C2)C1 ZINC001173366512 975338054 /nfs/dbraw/zinc/33/80/54/975338054.db2.gz ACFOSALAVRMZKB-UONOGXRCSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@H]([N@H+](C)C3CC3)C2)C1 ZINC001173366512 975338062 /nfs/dbraw/zinc/33/80/62/975338062.db2.gz ACFOSALAVRMZKB-UONOGXRCSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@H]([N@@H+](C)C3CC3)C2)C1 ZINC001173366512 975338073 /nfs/dbraw/zinc/33/80/73/975338073.db2.gz ACFOSALAVRMZKB-UONOGXRCSA-N 2 1 237.391 1.249 20 0 BDADMP CC[N@H+]1CC[C@H](n2cnc3cccc(C[NH3+])c32)C1 ZINC001173361783 975339549 /nfs/dbraw/zinc/33/95/49/975339549.db2.gz XATVAWCDEKQETO-LBPRGKRZSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](N(CC[NH2+]C)C(C)(C)C)C1 ZINC001173374331 975361869 /nfs/dbraw/zinc/36/18/69/975361869.db2.gz KWDCNGJBVKEATN-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP CNc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc[nH+]1 ZINC001333657805 975938765 /nfs/dbraw/zinc/93/87/65/975938765.db2.gz JBYPIBFFEYCARM-QWRGUYRKSA-N 2 1 249.362 1.803 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H](CF)C2)CC1 ZINC001333855750 976120370 /nfs/dbraw/zinc/12/03/70/976120370.db2.gz YAHXBTZRGAMPLM-GFCCVEGCSA-N 2 1 214.328 1.620 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCO[C@@H](C)C1 ZINC000721409589 976626157 /nfs/dbraw/zinc/62/61/57/976626157.db2.gz IENPGKILGLVKHE-OUAUKWLOSA-N 2 1 200.326 1.081 20 0 BDADMP Cc1[nH+]c(C)n(C[C@H](O)C[N@H+](C)C(C)C)c1C ZINC001334890576 976776190 /nfs/dbraw/zinc/77/61/90/976776190.db2.gz BWZTULYUGRWAOI-CYBMUJFWSA-N 2 1 239.363 1.509 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335350879 976986738 /nfs/dbraw/zinc/98/67/38/976986738.db2.gz LHPYEWRMZGMFLX-DGCLKSJQSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001335469549 977081191 /nfs/dbraw/zinc/08/11/91/977081191.db2.gz NBWHKZQTIOLUBF-MMWGEVLESA-N 2 1 214.353 1.074 20 0 BDADMP C[N@@H+]1CCC12CN(Cc1cccc3c[nH+]cn31)C2 ZINC001277558898 977714236 /nfs/dbraw/zinc/71/42/36/977714236.db2.gz GBEMNBJAMDSOJK-UHFFFAOYSA-N 2 1 242.326 1.224 20 0 BDADMP C[N@H+]1CCC12CN(Cc1cccc3c[nH+]cn31)C2 ZINC001277558898 977714244 /nfs/dbraw/zinc/71/42/44/977714244.db2.gz GBEMNBJAMDSOJK-UHFFFAOYSA-N 2 1 242.326 1.224 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011678 977839506 /nfs/dbraw/zinc/83/95/06/977839506.db2.gz NXYOHYQYWLEUEG-MNOVXSKESA-N 2 1 245.326 1.766 20 0 BDADMP C[C@H]([C@H](C)O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176281685 978009171 /nfs/dbraw/zinc/00/91/71/978009171.db2.gz ONYITLPOOFENAP-XQQFMLRXSA-N 2 1 249.358 1.361 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc2c1NCC2 ZINC001206269702 978036014 /nfs/dbraw/zinc/03/60/14/978036014.db2.gz SETUBLJOVJQRBS-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc2c1NCC2 ZINC001206269702 978036025 /nfs/dbraw/zinc/03/60/25/978036025.db2.gz SETUBLJOVJQRBS-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP Cn1cc[nH+]c1[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001336908903 978049967 /nfs/dbraw/zinc/04/99/67/978049967.db2.gz JXVIPHXXGSUSME-LLVKDONJSA-N 2 1 228.299 1.809 20 0 BDADMP CSCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001176629213 978141248 /nfs/dbraw/zinc/14/12/48/978141248.db2.gz IHAKWDWOILHZRT-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP CSCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001176629213 978141258 /nfs/dbraw/zinc/14/12/58/978141258.db2.gz IHAKWDWOILHZRT-NEPJUHHUSA-N 2 1 228.405 1.623 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296840 978316167 /nfs/dbraw/zinc/31/61/67/978316167.db2.gz VDLWSZFLWOYSDM-AWEZNQCLSA-N 2 1 235.375 1.976 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)nc(C)[nH+]1 ZINC001338295006 978656385 /nfs/dbraw/zinc/65/63/85/978656385.db2.gz AUULWQPFCRQZLQ-JHJVBQTASA-N 2 1 246.358 1.846 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)nc(C)[nH+]1 ZINC001338295006 978656387 /nfs/dbraw/zinc/65/63/87/978656387.db2.gz AUULWQPFCRQZLQ-JHJVBQTASA-N 2 1 246.358 1.846 20 0 BDADMP CCCc1[nH+]ccn1C[C@@H]1CCC[NH2+]C1 ZINC000069964154 978800454 /nfs/dbraw/zinc/80/04/54/978800454.db2.gz SCKFMDPLOJGXJH-LLVKDONJSA-N 2 1 207.321 1.835 20 0 BDADMP CCC[N@H+](CC)C[C@@H](C)Nc1cc[nH+]c(N)n1 ZINC001339731182 978900088 /nfs/dbraw/zinc/90/00/88/978900088.db2.gz VEJPBWZXAYRGRR-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP CC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277888419 978903105 /nfs/dbraw/zinc/90/31/05/978903105.db2.gz JDGIFVWGDHZOEX-LLVKDONJSA-N 2 1 224.348 1.382 20 0 BDADMP CC(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277889432 978903182 /nfs/dbraw/zinc/90/31/82/978903182.db2.gz PJDQNBFSJQFPNA-LBPRGKRZSA-N 2 1 238.375 1.772 20 0 BDADMP CCC[C@H](C)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234981560 978943482 /nfs/dbraw/zinc/94/34/82/978943482.db2.gz OHGOMNOOOPYPHN-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235043958 978961299 /nfs/dbraw/zinc/96/12/99/978961299.db2.gz HSAOGUZMLCPAQY-UONOGXRCSA-N 2 1 242.326 1.499 20 0 BDADMP CC/C=C\CCC[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053036 978964032 /nfs/dbraw/zinc/96/40/32/978964032.db2.gz IPZYCSZSSVASNI-NQHOJNORSA-N 2 1 237.391 1.370 20 0 BDADMP CCc1[nH]c(CN2CC[C@H]3[NH2+]CC[C@H]32)c(C)[nH+]1 ZINC001235071813 978966350 /nfs/dbraw/zinc/96/63/50/978966350.db2.gz CWKNCEZESHWCII-ZYHUDNBSSA-N 2 1 234.347 1.217 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169679 978987410 /nfs/dbraw/zinc/98/74/10/978987410.db2.gz CAUAVWSVEDQCSE-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCN1CCCC[C@]12CCC[NH2+]C2 ZINC001235169679 978987415 /nfs/dbraw/zinc/98/74/15/978987415.db2.gz CAUAVWSVEDQCSE-CYBMUJFWSA-N 2 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209234 978995509 /nfs/dbraw/zinc/99/55/09/978995509.db2.gz KKLSTHRVLHXFMU-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209234 978995514 /nfs/dbraw/zinc/99/55/14/978995514.db2.gz KKLSTHRVLHXFMU-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP CCOC[C@@]12CCC[C@@H]1C[N@H+](CC[NH3+])C2 ZINC001235493897 979054469 /nfs/dbraw/zinc/05/44/69/979054469.db2.gz JSRZQVRQJURNNZ-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](CC[NH3+])C2 ZINC001235493897 979054475 /nfs/dbraw/zinc/05/44/75/979054475.db2.gz JSRZQVRQJURNNZ-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP Cc1ncn(C)c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001235549482 979093327 /nfs/dbraw/zinc/09/33/27/979093327.db2.gz OVVJVSGKPNHMLR-CQSZACIVSA-N 2 1 248.374 1.256 20 0 BDADMP [NH3+]CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001235792766 979147643 /nfs/dbraw/zinc/14/76/43/979147643.db2.gz GBQHBKXELXVIOL-CABCVRRESA-N 2 1 245.370 1.151 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235925914 979207762 /nfs/dbraw/zinc/20/77/62/979207762.db2.gz RSMAHFMMSSUWQH-NEPJUHHUSA-N 2 1 226.364 1.975 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235925914 979207770 /nfs/dbraw/zinc/20/77/70/979207770.db2.gz RSMAHFMMSSUWQH-NEPJUHHUSA-N 2 1 226.364 1.975 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001235946661 979218032 /nfs/dbraw/zinc/21/80/32/979218032.db2.gz OPXBLLHRNFJZDN-CYBMUJFWSA-N 2 1 235.331 1.194 20 0 BDADMP [NH3+]CCCC[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001235946661 979218045 /nfs/dbraw/zinc/21/80/45/979218045.db2.gz OPXBLLHRNFJZDN-CYBMUJFWSA-N 2 1 235.331 1.194 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CCCC[NH3+])C2)CC1 ZINC001235958834 979228245 /nfs/dbraw/zinc/22/82/45/979228245.db2.gz KCFIAZACRNNLET-UHFFFAOYSA-N 3 1 225.380 1.143 20 0 BDADMP CCc1[nH]c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(C)[nH+]1 ZINC001235976639 979238622 /nfs/dbraw/zinc/23/86/22/979238622.db2.gz BEJGNUOIFWEFBT-GXFFZTMASA-N 2 1 234.347 1.204 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981807 979241836 /nfs/dbraw/zinc/24/18/36/979241836.db2.gz XJVVNXLEFHKQMF-ZWNOBZJWSA-N 2 1 224.348 1.415 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981807 979241844 /nfs/dbraw/zinc/24/18/44/979241844.db2.gz XJVVNXLEFHKQMF-ZWNOBZJWSA-N 2 1 224.348 1.415 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCc1cccs1)C2 ZINC001235981941 979263652 /nfs/dbraw/zinc/26/36/52/979263652.db2.gz YTHXTMGTBJRFLD-PWSUYJOCSA-N 2 1 222.357 1.714 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCc1cccs1)C2 ZINC001235981941 979263659 /nfs/dbraw/zinc/26/36/59/979263659.db2.gz YTHXTMGTBJRFLD-PWSUYJOCSA-N 2 1 222.357 1.714 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996656 979290267 /nfs/dbraw/zinc/29/02/67/979290267.db2.gz YNJVMYRILMWBER-BXUZGUMPSA-N 2 1 242.326 1.486 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996656 979290273 /nfs/dbraw/zinc/29/02/73/979290273.db2.gz YNJVMYRILMWBER-BXUZGUMPSA-N 2 1 242.326 1.486 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)[C@@H](C)CN1 ZINC001236079033 979365650 /nfs/dbraw/zinc/36/56/50/979365650.db2.gz NSCMJXJDOUMCCL-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CN(CC2(C)CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC001236079033 979365660 /nfs/dbraw/zinc/36/56/60/979365660.db2.gz NSCMJXJDOUMCCL-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1nnc([C@@H]2CCC[N@@H+](CCCC[NH3+])C2)o1 ZINC001236098973 979389807 /nfs/dbraw/zinc/38/98/07/979389807.db2.gz WBEKVHMOIPAXQL-LLVKDONJSA-N 2 1 238.335 1.296 20 0 BDADMP CC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H](C)CO ZINC001181985824 979391853 /nfs/dbraw/zinc/39/18/53/979391853.db2.gz HTYKALGFCCYWFS-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CCCC[C@@H]1C[N@H+](CCCC[NH3+])CCN1 ZINC001236134870 979401369 /nfs/dbraw/zinc/40/13/69/979401369.db2.gz IKZITHCXKUBMDU-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP CCCC[C@@H]1C[N@@H+](CCCC[NH3+])CCN1 ZINC001236134870 979401374 /nfs/dbraw/zinc/40/13/74/979401374.db2.gz IKZITHCXKUBMDU-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP CCCC[C@@H]1C[N@H+](CC23CC([NH3+])(C2)C3)CCN1 ZINC001236134504 979404797 /nfs/dbraw/zinc/40/47/97/979404797.db2.gz DKUNHDADEVIBAS-IYXRBSQSSA-N 2 1 237.391 1.332 20 0 BDADMP CCCC[C@@H]1C[N@@H+](CC23CC([NH3+])(C2)C3)CCN1 ZINC001236134504 979404804 /nfs/dbraw/zinc/40/48/04/979404804.db2.gz DKUNHDADEVIBAS-IYXRBSQSSA-N 2 1 237.391 1.332 20 0 BDADMP CC[C@@H](CCC(=O)OC)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236242964 979463625 /nfs/dbraw/zinc/46/36/25/979463625.db2.gz PXMQRLBWWYORHK-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236242964 979463628 /nfs/dbraw/zinc/46/36/28/979463628.db2.gz PXMQRLBWWYORHK-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP CCc1cccc(C)c1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206492323 979481705 /nfs/dbraw/zinc/48/17/05/979481705.db2.gz UNJOPHZARMHXOU-DZGCQCFKSA-N 2 1 248.370 1.309 20 0 BDADMP CN(C)c1cc(NC(=O)CC2CC([NH3+])C2)cc[nH+]1 ZINC001341616796 979492001 /nfs/dbraw/zinc/49/20/01/979492001.db2.gz CGIUJUHRLVKNCZ-UHFFFAOYSA-N 2 1 248.330 1.214 20 0 BDADMP C1=CO[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314216 979523150 /nfs/dbraw/zinc/52/31/50/979523150.db2.gz LMDOSQASGXBPSV-HZSPNIEDSA-N 2 1 236.359 1.611 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317173 979527234 /nfs/dbraw/zinc/52/72/34/979527234.db2.gz UQOHLELOTHFEHZ-BETUJISGSA-N 2 1 248.374 1.458 20 0 BDADMP Nc1cnccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319678 979534336 /nfs/dbraw/zinc/53/43/36/979534336.db2.gz CQSARKUSXVCCOH-TXEJJXNPSA-N 2 1 246.358 1.095 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC001341778457 979556238 /nfs/dbraw/zinc/55/62/38/979556238.db2.gz SFBFHGONHJHGKB-NEPJUHHUSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@@H+](CCCCCO)C[C@@H]1CC[NH2+]C1 ZINC001236409204 979583696 /nfs/dbraw/zinc/58/36/96/979583696.db2.gz YWACHSNUJXFASZ-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCCCO)CC2CC2)CC1 ZINC001236550887 979633785 /nfs/dbraw/zinc/63/37/85/979633785.db2.gz IFMGTHHRQQOBJV-HDJSIYSDSA-N 2 1 240.391 1.741 20 0 BDADMP CCNCC[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572839 979636900 /nfs/dbraw/zinc/63/69/00/979636900.db2.gz VBXKIFSQFAKNLD-MQMHXKEQSA-N 2 1 239.407 1.720 20 0 BDADMP CCNCC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572839 979636913 /nfs/dbraw/zinc/63/69/13/979636913.db2.gz VBXKIFSQFAKNLD-MQMHXKEQSA-N 2 1 239.407 1.720 20 0 BDADMP Cc1cncc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)n1 ZINC001206541500 979645379 /nfs/dbraw/zinc/64/53/79/979645379.db2.gz IAZVOQQYTYHFBG-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1cncc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)n1 ZINC001206541500 979645386 /nfs/dbraw/zinc/64/53/86/979645386.db2.gz IAZVOQQYTYHFBG-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP C[C@@H]1C[NH+](CC2(C)CC[NH+](C)CC2)C[C@@H](C)N1 ZINC001236576136 979646211 /nfs/dbraw/zinc/64/62/11/979646211.db2.gz BVNGAZKYZGJDGE-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001236615914 979680001 /nfs/dbraw/zinc/68/00/01/979680001.db2.gz KSPYCHYKVFVPND-AWEZNQCLSA-N 2 1 249.358 1.664 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccncc2N)C1 ZINC001206555976 979718207 /nfs/dbraw/zinc/71/82/07/979718207.db2.gz LJDOHZOLURIWPJ-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)CC[C@@H](C)SC ZINC001236859750 979768088 /nfs/dbraw/zinc/76/80/88/979768088.db2.gz LWDBDALSAIDPBS-ZJUUUORDSA-N 2 1 204.383 1.797 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CC[C@@H](C)SC ZINC001236859750 979768094 /nfs/dbraw/zinc/76/80/94/979768094.db2.gz LWDBDALSAIDPBS-ZJUUUORDSA-N 2 1 204.383 1.797 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001205264277 979810999 /nfs/dbraw/zinc/81/09/99/979810999.db2.gz IUIKZSFGSJUBCZ-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccncc2)CC1 ZINC001205263831 979812537 /nfs/dbraw/zinc/81/25/37/979812537.db2.gz COPDLRICDLWEFJ-ZDUSSCGKSA-N 2 1 219.332 1.785 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)n(C)n1 ZINC001205265801 979817849 /nfs/dbraw/zinc/81/78/49/979817849.db2.gz RMDATOXWYYBGKH-CYBMUJFWSA-N 2 1 236.363 1.432 20 0 BDADMP CC1(C[N@H+]2CCNC3=CCCC[C@@H]32)CC[NH2+]CC1 ZINC001237222144 979852236 /nfs/dbraw/zinc/85/22/36/979852236.db2.gz ZSWLPHMAUVNXBG-AWEZNQCLSA-N 2 1 249.402 1.718 20 0 BDADMP COC(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374698 979878192 /nfs/dbraw/zinc/87/81/92/979878192.db2.gz HTPXSGOBSYYPEM-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374698 979878196 /nfs/dbraw/zinc/87/81/96/979878196.db2.gz HTPXSGOBSYYPEM-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237374714 979879532 /nfs/dbraw/zinc/87/95/32/979879532.db2.gz IMGACBUIEOJYCA-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237374714 979879534 /nfs/dbraw/zinc/87/95/34/979879534.db2.gz IMGACBUIEOJYCA-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP Oc1cccnc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395513 979884286 /nfs/dbraw/zinc/88/42/86/979884286.db2.gz XQBNRFAMEYKVKE-NEPJUHHUSA-N 2 1 247.342 1.361 20 0 BDADMP Oc1cccnc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237395513 979884293 /nfs/dbraw/zinc/88/42/93/979884293.db2.gz XQBNRFAMEYKVKE-NEPJUHHUSA-N 2 1 247.342 1.361 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237416955 979889201 /nfs/dbraw/zinc/88/92/01/979889201.db2.gz RJWOYTIYHGCXOV-UKRRQHHQSA-N 2 1 245.370 1.843 20 0 BDADMP C[NH2+]C1(C(=O)Nc2cc[nH+]c(N(C)C)c2)CCC1 ZINC001343445544 980111989 /nfs/dbraw/zinc/11/19/89/980111989.db2.gz UFEACQLTIGHFHM-UHFFFAOYSA-N 2 1 248.330 1.228 20 0 BDADMP COC[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102311 980151470 /nfs/dbraw/zinc/15/14/70/980151470.db2.gz AUSUVOHAUGYKEZ-GFCCVEGCSA-N 2 1 245.326 1.803 20 0 BDADMP COC[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102311 980151477 /nfs/dbraw/zinc/15/14/77/980151477.db2.gz AUSUVOHAUGYKEZ-GFCCVEGCSA-N 2 1 245.326 1.803 20 0 BDADMP OC[C@@H]1CCC[N@H+]1Cc1cccc2cncn21 ZINC001238105053 980157399 /nfs/dbraw/zinc/15/73/99/980157399.db2.gz BMGSVMOWTALUCN-ZDUSSCGKSA-N 2 1 231.299 1.291 20 0 BDADMP OC[C@@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238105053 980157404 /nfs/dbraw/zinc/15/74/04/980157404.db2.gz BMGSVMOWTALUCN-ZDUSSCGKSA-N 2 1 231.299 1.291 20 0 BDADMP Cc1c[nH+]c(C2=CCC[NH2+]CC2)cc1N ZINC001238936350 980375144 /nfs/dbraw/zinc/37/51/44/980375144.db2.gz HYFCTUNDOBGOPV-UHFFFAOYSA-N 2 1 203.289 1.739 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001345100336 980547099 /nfs/dbraw/zinc/54/70/99/980547099.db2.gz PHBDTKFJXFRRPL-WJLOJVBCSA-N 2 1 240.391 1.453 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001345100336 980547101 /nfs/dbraw/zinc/54/71/01/980547101.db2.gz PHBDTKFJXFRRPL-WJLOJVBCSA-N 2 1 240.391 1.453 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001345100401 980547414 /nfs/dbraw/zinc/54/74/14/980547414.db2.gz QQHFNAHCEDBLDU-SECBINFHSA-N 2 1 241.766 1.989 20 0 BDADMP CC(C)[N@@H+](C)CCCNC[C@@](C)(O)C(F)F ZINC001346179621 980777042 /nfs/dbraw/zinc/77/70/42/980777042.db2.gz JSBYQUFHDVUHMD-LLVKDONJSA-N 2 1 238.322 1.322 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)F ZINC001346179621 980777049 /nfs/dbraw/zinc/77/70/49/980777049.db2.gz JSBYQUFHDVUHMD-LLVKDONJSA-N 2 1 238.322 1.322 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)F ZINC001346179621 980777050 /nfs/dbraw/zinc/77/70/50/980777050.db2.gz JSBYQUFHDVUHMD-LLVKDONJSA-N 2 1 238.322 1.322 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001346190621 980779746 /nfs/dbraw/zinc/77/97/46/980779746.db2.gz HZJFYOWZRCFOGG-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP CCc1[nH]c(CN(C)CCC[NH+](C)C)c(C)[nH+]1 ZINC001203234203 980780966 /nfs/dbraw/zinc/78/09/66/980780966.db2.gz KQKFIIRNGQZOGS-UHFFFAOYSA-N 2 1 238.379 1.664 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC001205599890 981152331 /nfs/dbraw/zinc/15/23/31/981152331.db2.gz AMIDXGNRHNTFIV-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1C[NH3+] ZINC001205626911 981277308 /nfs/dbraw/zinc/27/73/08/981277308.db2.gz KPEDGWSZHOOQLE-WCQYABFASA-N 2 1 248.374 1.471 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(N)n2)CC[C@H]1C[NH3+] ZINC001205638820 981412617 /nfs/dbraw/zinc/41/26/17/981412617.db2.gz SGCUCAMXGZQNAF-NEPJUHHUSA-N 2 1 248.374 1.471 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cncc(F)c1 ZINC001348852302 981459704 /nfs/dbraw/zinc/45/97/04/981459704.db2.gz KHNDTJUFGNVKEQ-NXEZZACHSA-N 2 1 225.311 1.869 20 0 BDADMP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC001580843757 981624677 /nfs/dbraw/zinc/62/46/77/981624677.db2.gz OJZACAJKWSCOLD-UTUOFQBUSA-N 2 1 222.332 1.182 20 0 BDADMP O[C@]12C[C@H]1C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC001580885935 981708284 /nfs/dbraw/zinc/70/82/84/981708284.db2.gz SGIJCVNFWXBHCE-UONOGXRCSA-N 2 1 238.375 1.223 20 0 BDADMP C(c1cc[nH+]c2c1CCN2)=C1CC[NH2+]CC1 ZINC001240879018 981930981 /nfs/dbraw/zinc/93/09/81/981930981.db2.gz FSJQYZCRAMGYCS-UHFFFAOYSA-N 2 1 215.300 1.816 20 0 BDADMP C[NH+]1CCC2(CCCN(Cc3nnc[nH]3)C2)CC1 ZINC001350371494 981950359 /nfs/dbraw/zinc/95/03/59/981950359.db2.gz NVCRUDXEQAPFIN-UHFFFAOYSA-N 2 1 249.362 1.113 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001350930307 982128049 /nfs/dbraw/zinc/12/80/49/982128049.db2.gz HJTKROHEACXVAO-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP COCOCCC[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205804319 982563397 /nfs/dbraw/zinc/56/33/97/982563397.db2.gz MTGRVLDAXYLVLC-VXGBXAGGSA-N 2 1 230.352 1.056 20 0 BDADMP COCOCCC[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205804319 982563404 /nfs/dbraw/zinc/56/34/04/982563404.db2.gz MTGRVLDAXYLVLC-VXGBXAGGSA-N 2 1 230.352 1.056 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](CCCn2cccn2)C1 ZINC001205804577 982565142 /nfs/dbraw/zinc/56/51/42/982565142.db2.gz NLUXJICKTWBPIS-QWHCGFSZSA-N 2 1 236.363 1.332 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](CCCn2cccn2)C1 ZINC001205804577 982565155 /nfs/dbraw/zinc/56/51/55/982565155.db2.gz NLUXJICKTWBPIS-QWHCGFSZSA-N 2 1 236.363 1.332 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001352788912 982582087 /nfs/dbraw/zinc/58/20/87/982582087.db2.gz RLCZNEVTNURIFV-FVCCEPFGSA-N 2 1 224.348 1.225 20 0 BDADMP COC1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCC1 ZINC001352825087 982589146 /nfs/dbraw/zinc/58/91/46/982589146.db2.gz HLXIPSXJRMTENA-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP C([NH2+]C1CCSCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408397 982942940 /nfs/dbraw/zinc/94/29/40/982942940.db2.gz OCQLWBVJKRLYBN-NSHDSACASA-N 2 1 240.416 1.956 20 0 BDADMP C[NH2+][C@@H](C)CCNCc1cccc2c1CC[NH2+]C2 ZINC001353943192 983093590 /nfs/dbraw/zinc/09/35/90/983093590.db2.gz MKLVQBSRAJOOQV-LBPRGKRZSA-N 2 1 247.386 1.420 20 0 BDADMP Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc[nH+]1 ZINC001354129427 983168453 /nfs/dbraw/zinc/16/84/53/983168453.db2.gz GQSMWNVHINMYSS-HZMBPMFUSA-N 2 1 231.343 1.707 20 0 BDADMP Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)nc(N)[nH+]1 ZINC001354132224 983169189 /nfs/dbraw/zinc/16/91/89/983169189.db2.gz VRMCGAPWQMBMJN-KWQFWETISA-N 2 1 247.346 1.262 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2nccnc2C[NH3+])C1 ZINC001354217866 983200188 /nfs/dbraw/zinc/20/01/88/983200188.db2.gz YCPWSKGUYRJHDX-LLVKDONJSA-N 2 1 249.362 1.079 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1NC1CCC(C[NH3+])CC1 ZINC001356049439 983564563 /nfs/dbraw/zinc/56/45/63/983564563.db2.gz IPYZEAWSCAPGCN-HTAVTVPLSA-N 2 1 225.380 1.092 20 0 BDADMP Nc1cccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205938060 983570018 /nfs/dbraw/zinc/57/00/18/983570018.db2.gz FEQDUSIPAFKYCH-ZDUSSCGKSA-N 2 1 219.332 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205938060 983570021 /nfs/dbraw/zinc/57/00/21/983570021.db2.gz FEQDUSIPAFKYCH-ZDUSSCGKSA-N 2 1 219.332 1.582 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C1CC1 ZINC001356082646 983571708 /nfs/dbraw/zinc/57/17/08/983571708.db2.gz ARNHENCUMXXDBM-AAEUAGOBSA-N 2 1 248.374 1.825 20 0 BDADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205946805 983666230 /nfs/dbraw/zinc/66/62/30/983666230.db2.gz QMDCEOQMVWBPFT-ZIAGYGMSSA-N 2 1 234.343 1.197 20 0 BDADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205946805 983666236 /nfs/dbraw/zinc/66/62/36/983666236.db2.gz QMDCEOQMVWBPFT-ZIAGYGMSSA-N 2 1 234.343 1.197 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001253180992 984014220 /nfs/dbraw/zinc/01/42/20/984014220.db2.gz NHRODVXYKGCABD-STQMWFEESA-N 2 1 246.370 1.371 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@](C)(CF)C1 ZINC001253180992 984014229 /nfs/dbraw/zinc/01/42/29/984014229.db2.gz NHRODVXYKGCABD-STQMWFEESA-N 2 1 246.370 1.371 20 0 BDADMP C[C@H](O)CCC[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001576272338 984166905 /nfs/dbraw/zinc/16/69/05/984166905.db2.gz LPSXYJCWIFEXQR-UNXYVOJBSA-N 2 1 212.337 1.103 20 0 BDADMP C[C@H](O)CCC[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576272338 984166908 /nfs/dbraw/zinc/16/69/08/984166908.db2.gz LPSXYJCWIFEXQR-UNXYVOJBSA-N 2 1 212.337 1.103 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001576682009 984180757 /nfs/dbraw/zinc/18/07/57/984180757.db2.gz RSJCQWXLVQOZSH-WOPDTQHZSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001576682008 984182005 /nfs/dbraw/zinc/18/20/05/984182005.db2.gz RSJCQWXLVQOZSH-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981807 984185056 /nfs/dbraw/zinc/18/50/56/984185056.db2.gz HHAMASGAXOSYLJ-QJPTWQEYSA-N 2 1 242.363 1.102 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001578654390 984218869 /nfs/dbraw/zinc/21/88/69/984218869.db2.gz OJNVNLDFPCWKMB-LSDHHAIUSA-N 2 1 248.370 1.794 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC001578654314 984219565 /nfs/dbraw/zinc/21/95/65/984219565.db2.gz MMYRICLHUXSLIB-GHMZBOCLSA-N 2 1 246.420 1.030 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC001578654314 984219567 /nfs/dbraw/zinc/21/95/67/984219567.db2.gz MMYRICLHUXSLIB-GHMZBOCLSA-N 2 1 246.420 1.030 20 0 BDADMP COC/C(C)=C\C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC001578954662 984235444 /nfs/dbraw/zinc/23/54/44/984235444.db2.gz SWSQOKDMWDRLJN-XYQILUHVSA-N 2 1 226.364 1.555 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc3cnccc3o2)C[C@H]1C[NH3+] ZINC001579440512 984277061 /nfs/dbraw/zinc/27/70/61/984277061.db2.gz GNBAEHRQBMMXLH-ZYHUDNBSSA-N 2 1 245.326 1.854 20 0 BDADMP CC[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275084771 984476816 /nfs/dbraw/zinc/47/68/16/984476816.db2.gz FJFUPIXLOZIDLJ-OKILXGFUSA-N 2 1 248.374 1.573 20 0 BDADMP CC[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275084771 984476826 /nfs/dbraw/zinc/47/68/26/984476826.db2.gz FJFUPIXLOZIDLJ-OKILXGFUSA-N 2 1 248.374 1.573 20 0 BDADMP CC[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275084771 984476845 /nfs/dbraw/zinc/47/68/45/984476845.db2.gz FJFUPIXLOZIDLJ-OKILXGFUSA-N 2 1 248.374 1.573 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC001275167661 984508389 /nfs/dbraw/zinc/50/83/89/984508389.db2.gz FWQOATCRBDJIRP-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC001275167661 984508403 /nfs/dbraw/zinc/50/84/03/984508403.db2.gz FWQOATCRBDJIRP-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC001275167661 984508410 /nfs/dbraw/zinc/50/84/10/984508410.db2.gz FWQOATCRBDJIRP-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](C[C@H]1CCOC1)CC2 ZINC001275168772 984512129 /nfs/dbraw/zinc/51/21/29/984512129.db2.gz NBVPQZNWLNHEON-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001256719821 984574550 /nfs/dbraw/zinc/57/45/50/984574550.db2.gz UATANOAYWFCISI-TZMCWYRMSA-N 2 1 233.359 1.554 20 0 BDADMP O[C@@H]1CC[C@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)[C@@H]12 ZINC001580884683 984619302 /nfs/dbraw/zinc/61/93/02/984619302.db2.gz MBSGCHGDMZGLHV-IGQOVBAYSA-N 2 1 238.375 1.221 20 0 BDADMP CC[N@@H+](CCNC(=O)[C@](C)(CC)C[NH3+])C(C)C ZINC001577722758 984669554 /nfs/dbraw/zinc/66/95/54/984669554.db2.gz JWOHCPOGXOSSQF-CYBMUJFWSA-N 2 1 243.395 1.208 20 0 BDADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001577908762 984815384 /nfs/dbraw/zinc/81/53/84/984815384.db2.gz SDULBVBHJYPLTL-USZNOCQGSA-N 2 1 242.363 1.162 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+]C[C@]1(C)CCCCO1 ZINC001577887146 984815963 /nfs/dbraw/zinc/81/59/63/984815963.db2.gz OFOVIEXZTCRBSA-NEPJUHHUSA-N 2 1 214.353 1.533 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578076072 984842077 /nfs/dbraw/zinc/84/20/77/984842077.db2.gz ZPFOKTGHQYAATG-MCIONIFRSA-N 2 1 238.375 1.343 20 0 BDADMP CCOC1CC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578084612 984843449 /nfs/dbraw/zinc/84/34/49/984843449.db2.gz OUFHCELOQBUJFK-PYNQCMFNSA-N 2 1 224.348 1.095 20 0 BDADMP CCOC1CC(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578084612 984843450 /nfs/dbraw/zinc/84/34/50/984843450.db2.gz OUFHCELOQBUJFK-PYNQCMFNSA-N 2 1 224.348 1.095 20 0 BDADMP CCOC1CC([N@@H+](C)C[C@@H](C[NH3+])C(C)C)C1 ZINC001578088015 984844339 /nfs/dbraw/zinc/84/43/39/984844339.db2.gz XWAJKSZGSPYVEV-PNESKVBLSA-N 2 1 228.380 1.717 20 0 BDADMP CCO[C@@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001578098213 984849091 /nfs/dbraw/zinc/84/90/91/984849091.db2.gz UMRHUSWGTAZMDS-WDEREUQCSA-N 2 1 214.353 1.661 20 0 BDADMP C[C@@H]1CC(n2cc[nH+]c2CCC[NH3+])C[C@@H](C)O1 ZINC001257085871 984850886 /nfs/dbraw/zinc/85/08/86/984850886.db2.gz CFKNGROKUVALKO-GHMZBOCLSA-N 2 1 237.347 1.903 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)[C@H]1OC ZINC001578149250 984856863 /nfs/dbraw/zinc/85/68/63/984856863.db2.gz ZJXAUIZLYHWZEE-QJPTWQEYSA-N 2 1 242.363 1.040 20 0 BDADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cncs1 ZINC000885989288 984859503 /nfs/dbraw/zinc/85/95/03/984859503.db2.gz ADTTZSPSOHXFPL-QMMMGPOBSA-N 2 1 211.334 1.546 20 0 BDADMP CCC[C@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001257309334 984884250 /nfs/dbraw/zinc/88/42/50/984884250.db2.gz JEBMPVCQKIKWKC-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP CN(CC[N@@H+](C)C1CC1)C[C@@H]1CC(F)(F)C[NH2+]1 ZINC001578470161 985106660 /nfs/dbraw/zinc/10/66/60/985106660.db2.gz QXDXOGVSQBOOBS-JTQLQIEISA-N 2 1 247.333 1.010 20 0 BDADMP C[N@H+](C[C@H]1CCCO1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578486569 985118633 /nfs/dbraw/zinc/11/86/33/985118633.db2.gz QIYPIIQYQCYPKW-QJPTWQEYSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(CC[NH3+])C3)[C@@H]2C1 ZINC001578520896 985145580 /nfs/dbraw/zinc/14/55/80/985145580.db2.gz IUETXAKSZHUIJN-XTNFGFQESA-N 3 1 237.391 1.044 20 0 BDADMP CN1CC[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001578541114 985176716 /nfs/dbraw/zinc/17/67/16/985176716.db2.gz PUPMXFHQFKSMJY-MJBXVCDLSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC001578622697 985234680 /nfs/dbraw/zinc/23/46/80/985234680.db2.gz YNKPREJXXXLMTD-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC23CC(C)(C2)OC3)C1 ZINC001578664315 985279868 /nfs/dbraw/zinc/27/98/68/985279868.db2.gz QPYQCCIJLYMKMH-PNESKVBLSA-N 2 1 224.348 1.097 20 0 BDADMP C[NH2+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)CSC ZINC001578677186 985285954 /nfs/dbraw/zinc/28/59/54/985285954.db2.gz YNGPPRDAFJNLIQ-VXGBXAGGSA-N 2 1 246.420 1.174 20 0 BDADMP C[NH2+]CCC[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001578686946 985300176 /nfs/dbraw/zinc/30/01/76/985300176.db2.gz FMFGDKHSTVNTLD-WDEREUQCSA-N 2 1 214.378 1.281 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN[C@@H]1C ZINC001578897202 985474463 /nfs/dbraw/zinc/47/44/63/985474463.db2.gz SZSYRNYJKPSANK-GWOFURMSSA-N 2 1 200.326 1.140 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001578897202 985474486 /nfs/dbraw/zinc/47/44/86/985474486.db2.gz SZSYRNYJKPSANK-GWOFURMSSA-N 2 1 200.326 1.140 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000688022586 985489576 /nfs/dbraw/zinc/48/95/76/985489576.db2.gz FIUQOVGXWBNFOW-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC001578908633 985508443 /nfs/dbraw/zinc/50/84/43/985508443.db2.gz BTZUPFODQLBBJK-JHJVBQTASA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC001578908633 985508464 /nfs/dbraw/zinc/50/84/64/985508464.db2.gz BTZUPFODQLBBJK-JHJVBQTASA-N 2 1 224.348 1.225 20 0 BDADMP COC1(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCC1 ZINC001578926992 985525807 /nfs/dbraw/zinc/52/58/07/985525807.db2.gz RZBJOBYEBDNRNM-GHMZBOCLSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000688053118 985541117 /nfs/dbraw/zinc/54/11/17/985541117.db2.gz MKVUHGXBWCVSCV-MROQNXINSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000688053118 985541147 /nfs/dbraw/zinc/54/11/47/985541147.db2.gz MKVUHGXBWCVSCV-MROQNXINSA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001578940272 985553282 /nfs/dbraw/zinc/55/32/82/985553282.db2.gz CZNOSDPGWRPKSF-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2C2CCC2)C1 ZINC000688303249 985604196 /nfs/dbraw/zinc/60/41/96/985604196.db2.gz RMRICIXGBZKSGP-UHTWSYAYSA-N 2 1 208.349 1.988 20 0 BDADMP Nc1[nH]c2ccc(C3=C[NH2+]CCC3)cc2[nH+]1 ZINC001243950614 985652347 /nfs/dbraw/zinc/65/23/47/985652347.db2.gz IKFNHPKRGOKNRD-UHFFFAOYSA-N 2 1 214.272 1.869 20 0 BDADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1 ZINC001579216170 985819025 /nfs/dbraw/zinc/81/90/25/985819025.db2.gz FRGVKSXEQVRROY-AWEZNQCLSA-N 2 1 234.343 1.831 20 0 BDADMP COc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001579305621 985833416 /nfs/dbraw/zinc/83/34/16/985833416.db2.gz JGPQEQQSHVRBTJ-PHIMTYICSA-N 2 1 206.289 1.275 20 0 BDADMP COc1nc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1C ZINC001579323411 985840886 /nfs/dbraw/zinc/84/08/86/985840886.db2.gz FQVXQGALOKPNMU-NSHDSACASA-N 2 1 235.331 1.179 20 0 BDADMP COc1nc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1C ZINC001579323411 985840891 /nfs/dbraw/zinc/84/08/91/985840891.db2.gz FQVXQGALOKPNMU-NSHDSACASA-N 2 1 235.331 1.179 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[C@H]2CCO2)C[C@H]1C[NH3+] ZINC001579440511 985919110 /nfs/dbraw/zinc/91/91/10/985919110.db2.gz GHVQXTKRJQRWIH-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](CC23CC(C)(C2)OC3)C[C@H]1C[NH3+] ZINC001579439929 985931370 /nfs/dbraw/zinc/93/13/70/985931370.db2.gz CWOAHLJIAGEODA-OKZRHMCRSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@@]1(C)CCCCO1 ZINC001579467571 985965233 /nfs/dbraw/zinc/96/52/33/985965233.db2.gz POFBLKSPJNBPPQ-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(=O)[nH]c1)C2 ZINC001579475357 985988034 /nfs/dbraw/zinc/98/80/34/985988034.db2.gz JRDYVCWIXYDKRM-OKILXGFUSA-N 2 1 247.342 1.219 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(=O)[nH]c1)C2 ZINC001579475357 985988054 /nfs/dbraw/zinc/98/80/54/985988054.db2.gz JRDYVCWIXYDKRM-OKILXGFUSA-N 2 1 247.342 1.219 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOCC1CC1 ZINC001461181870 986018434 /nfs/dbraw/zinc/01/84/34/986018434.db2.gz NVHZLPKSPDBTJK-UHFFFAOYSA-N 2 1 249.358 1.664 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[N@H+](CC[NH3+])CCO ZINC001258778867 986162078 /nfs/dbraw/zinc/16/20/78/986162078.db2.gz MUBFVERDSLZQSC-NWDGAFQWSA-N 2 1 216.369 1.454 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[N@@H+](CC[NH3+])CCO ZINC001258778867 986162098 /nfs/dbraw/zinc/16/20/98/986162098.db2.gz MUBFVERDSLZQSC-NWDGAFQWSA-N 2 1 216.369 1.454 20 0 BDADMP Cc1ccc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001579673168 986180208 /nfs/dbraw/zinc/18/02/08/986180208.db2.gz XBZBDSJETTYJNG-KGLIPLIRSA-N 2 1 234.343 1.116 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]2C1 ZINC001253732193 986346020 /nfs/dbraw/zinc/34/60/20/986346020.db2.gz FZODLLNEFVVUHR-XQQFMLRXSA-N 2 1 240.391 1.277 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C(C)(C)C)C[C@@H]2C1 ZINC001253732193 986346033 /nfs/dbraw/zinc/34/60/33/986346033.db2.gz FZODLLNEFVVUHR-XQQFMLRXSA-N 2 1 240.391 1.277 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C(C)(C)C)C[C@@H]2C1 ZINC001253732193 986346042 /nfs/dbraw/zinc/34/60/42/986346042.db2.gz FZODLLNEFVVUHR-XQQFMLRXSA-N 2 1 240.391 1.277 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1CCn2ccnc21)C1CC1 ZINC001462312043 986346517 /nfs/dbraw/zinc/34/65/17/986346517.db2.gz VYSNFLJAFHUIFU-ZDUSSCGKSA-N 2 1 248.374 1.792 20 0 BDADMP Cn1cncc1C[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579986084 986388147 /nfs/dbraw/zinc/38/81/47/986388147.db2.gz QTHZAXVMSXOQDX-OCCSQVGLSA-N 2 1 248.374 1.371 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001462662605 986473533 /nfs/dbraw/zinc/47/35/33/986473533.db2.gz CXPNCRDIXHMUSA-ZOLYEBIHSA-N 2 1 226.364 1.340 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@](C)(O)C2)CC1 ZINC001254517341 986656179 /nfs/dbraw/zinc/65/61/79/986656179.db2.gz URAQEEIRTRYXCQ-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001254517341 986656189 /nfs/dbraw/zinc/65/61/89/986656189.db2.gz URAQEEIRTRYXCQ-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001254517341 986656193 /nfs/dbraw/zinc/65/61/93/986656193.db2.gz URAQEEIRTRYXCQ-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CCO[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254523770 986661364 /nfs/dbraw/zinc/66/13/64/986661364.db2.gz RKQAQOZHVLQDGS-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254523770 986661384 /nfs/dbraw/zinc/66/13/84/986661384.db2.gz RKQAQOZHVLQDGS-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254523770 986661397 /nfs/dbraw/zinc/66/13/97/986661397.db2.gz RKQAQOZHVLQDGS-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H](F)C2)CC1 ZINC001254515859 986667480 /nfs/dbraw/zinc/66/74/80/986667480.db2.gz FJRFOTXMKSEJHV-MNOVXSKESA-N 2 1 200.301 1.515 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H](F)C2)CC1 ZINC001254515859 986667508 /nfs/dbraw/zinc/66/75/08/986667508.db2.gz FJRFOTXMKSEJHV-MNOVXSKESA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H](F)C2)CC1 ZINC001254515859 986667516 /nfs/dbraw/zinc/66/75/16/986667516.db2.gz FJRFOTXMKSEJHV-MNOVXSKESA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H](F)C2)CC1 ZINC001254515859 986667521 /nfs/dbraw/zinc/66/75/21/986667521.db2.gz FJRFOTXMKSEJHV-MNOVXSKESA-N 2 1 200.301 1.515 20 0 BDADMP CCO[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254523775 986669730 /nfs/dbraw/zinc/66/97/30/986669730.db2.gz RKQAQOZHVLQDGS-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254523775 986669751 /nfs/dbraw/zinc/66/97/51/986669751.db2.gz RKQAQOZHVLQDGS-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254523775 986669776 /nfs/dbraw/zinc/66/97/76/986669776.db2.gz RKQAQOZHVLQDGS-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)O[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254530579 986678449 /nfs/dbraw/zinc/67/84/49/986678449.db2.gz YUJJXSHIRAHVNY-ZIAGYGMSSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC)C2)CC1 ZINC000379964849 986692516 /nfs/dbraw/zinc/69/25/16/986692516.db2.gz YICHUAGQQWWWNY-TXEJJXNPSA-N 2 1 212.337 1.238 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@@](O)(C3CC3)C2)CCC1 ZINC001580244506 986693329 /nfs/dbraw/zinc/69/33/29/986693329.db2.gz ZKCWHDZGEKRAED-AWEZNQCLSA-N 2 1 238.375 1.352 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1cc[nH]c(=O)c1 ZINC001580253115 986701995 /nfs/dbraw/zinc/70/19/95/986701995.db2.gz HRPDUJBWGXXEFF-YPMHNXCESA-N 2 1 233.315 1.100 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1cc[nH]c(=O)c1 ZINC001580253115 986702011 /nfs/dbraw/zinc/70/20/11/986702011.db2.gz HRPDUJBWGXXEFF-YPMHNXCESA-N 2 1 233.315 1.100 20 0 BDADMP [NH3+]C[C@@]12C[N@@H+](Cc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580254495 986711773 /nfs/dbraw/zinc/71/17/73/986711773.db2.gz CZCCNACGBKZQAM-OLZOCXBDSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]CC[C@@H](O)C[N@@H+](CC1CC1)CC1CCC1 ZINC001580284433 986728656 /nfs/dbraw/zinc/72/86/56/986728656.db2.gz CKUVSMGGDROZEO-CYBMUJFWSA-N 2 1 226.364 1.208 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncccc2F)C1 ZINC001580288760 986733069 /nfs/dbraw/zinc/73/30/69/986733069.db2.gz WXXCWVVHFNTDAK-JTQLQIEISA-N 2 1 223.295 1.391 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](O)C23CCCC3)C1 ZINC001580387518 986810961 /nfs/dbraw/zinc/81/09/61/986810961.db2.gz KHDCPHCTPHRUTP-XQQFMLRXSA-N 2 1 238.375 1.493 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1c[nH]c2ncccc12 ZINC001137396856 986875140 /nfs/dbraw/zinc/87/51/40/986875140.db2.gz TXFPYOHLTPNTIB-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]c2ncccc12 ZINC001137396856 986875144 /nfs/dbraw/zinc/87/51/44/986875144.db2.gz TXFPYOHLTPNTIB-UHFFFAOYSA-N 2 1 246.358 1.946 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCSC1)C2 ZINC001255293165 986892338 /nfs/dbraw/zinc/89/23/38/986892338.db2.gz KOCKSQZLWQZPFE-IJLUTSLNSA-N 2 1 226.389 1.375 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@@H]1CC[NH+](C)C1 ZINC001255412122 986935673 /nfs/dbraw/zinc/93/56/73/986935673.db2.gz PPDQJVFXKZLSDZ-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCCN[C@@H]1CC[N@H+](C)C1 ZINC001255412122 986935684 /nfs/dbraw/zinc/93/56/84/986935684.db2.gz PPDQJVFXKZLSDZ-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](C)CCCN[C@@H]1CC[N@@H+](C)C1 ZINC001255412122 986935693 /nfs/dbraw/zinc/93/56/93/986935693.db2.gz PPDQJVFXKZLSDZ-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP Nc1[nH]c2ccc(-c3ccncc3C[NH3+])cc2[nH+]1 ZINC001245557364 986946866 /nfs/dbraw/zinc/94/68/66/986946866.db2.gz GTRQZYNMJBWPRY-UHFFFAOYSA-N 2 1 239.282 1.666 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1-c1ccncc1C[NH3+] ZINC001245560172 986953654 /nfs/dbraw/zinc/95/36/54/986953654.db2.gz MUEQRJWQYDNOJQ-UHFFFAOYSA-N 2 1 242.326 1.977 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccnc2CCC[NH3+])C1 ZINC001255480264 986979767 /nfs/dbraw/zinc/97/97/67/986979767.db2.gz UECNNFGHZZOKTI-NSHDSACASA-N 2 1 222.336 1.041 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001246014880 987296395 /nfs/dbraw/zinc/29/63/95/987296395.db2.gz DPFDOPZNLROFGN-SDDRHHMPSA-N 2 1 214.353 1.349 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246014880 987296424 /nfs/dbraw/zinc/29/64/24/987296424.db2.gz DPFDOPZNLROFGN-SDDRHHMPSA-N 2 1 214.353 1.349 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016540 987300630 /nfs/dbraw/zinc/30/06/30/987300630.db2.gz LWZLVZGBYABQBH-NWDGAFQWSA-N 2 1 214.353 1.351 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246020198 987307166 /nfs/dbraw/zinc/30/71/66/987307166.db2.gz IJJYACPZOZEWAZ-CHWSQXEVSA-N 2 1 228.380 1.598 20 0 BDADMP CC(C)[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246019904 987309221 /nfs/dbraw/zinc/30/92/21/987309221.db2.gz IYADGHULFSODLI-RWMBFGLXSA-N 2 1 228.380 1.310 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCF)[C@@H]1CCC[NH3+] ZINC000693423084 987310262 /nfs/dbraw/zinc/31/02/62/987310262.db2.gz VOKKXDSHQJZPEM-GHMZBOCLSA-N 2 1 202.317 1.795 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246021619 987312295 /nfs/dbraw/zinc/31/22/95/987312295.db2.gz KYMGBVOZWBEJCS-AGIUHOORSA-N 2 1 228.380 1.454 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022032 987314973 /nfs/dbraw/zinc/31/49/73/987314973.db2.gz PCKVBWHPJGMMAP-OLZOCXBDSA-N 2 1 246.370 1.690 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246021750 987315031 /nfs/dbraw/zinc/31/50/31/987315031.db2.gz OYTNRZQRHOAPCG-NWDGAFQWSA-N 2 1 232.343 1.156 20 0 BDADMP CCC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246027578 987324567 /nfs/dbraw/zinc/32/45/67/987324567.db2.gz AXHUQGSZWFKQHG-OLZOCXBDSA-N 2 1 226.364 1.365 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246027578 987324568 /nfs/dbraw/zinc/32/45/68/987324568.db2.gz AXHUQGSZWFKQHG-OLZOCXBDSA-N 2 1 226.364 1.365 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246031905 987333816 /nfs/dbraw/zinc/33/38/16/987333816.db2.gz RJBKLDCTWJBMQW-AGIUHOORSA-N 2 1 228.380 1.454 20 0 BDADMP NC1(C[NH2+]C2CCC3(C[NH2+]C3)CC2)CCCC1 ZINC001246076861 987366718 /nfs/dbraw/zinc/36/67/18/987366718.db2.gz RNCMTQBJWOZBKX-UHFFFAOYSA-N 2 1 237.391 1.380 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCCCCCC[NH3+])C[NH2+]1 ZINC001246082213 987378744 /nfs/dbraw/zinc/37/87/44/987378744.db2.gz VYLCVSSXPLJTRG-STQMWFEESA-N 3 1 227.396 1.626 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2CCC[N@@H+](C)CC2)C1 ZINC001246097178 987410510 /nfs/dbraw/zinc/41/05/10/987410510.db2.gz GNWZFCUGTDUJNY-IHRRRGAJSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC001246097178 987410518 /nfs/dbraw/zinc/41/05/18/987410518.db2.gz GNWZFCUGTDUJNY-IHRRRGAJSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001246097178 987410529 /nfs/dbraw/zinc/41/05/29/987410529.db2.gz GNWZFCUGTDUJNY-IHRRRGAJSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246099850 987418409 /nfs/dbraw/zinc/41/84/09/987418409.db2.gz KUGJMOSOCFZQHD-DBIOUOCHSA-N 2 1 200.301 1.607 20 0 BDADMP CC(C)(N)C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246100766 987422095 /nfs/dbraw/zinc/42/20/95/987422095.db2.gz NPWDFHWPAZTGJF-UHFFFAOYSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246113858 987449471 /nfs/dbraw/zinc/44/94/71/987449471.db2.gz ULSVEWNHRQOSJC-XHJNMGKDSA-N 3 1 239.407 1.493 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC001246119624 987465473 /nfs/dbraw/zinc/46/54/73/987465473.db2.gz WRTCEFPMHBYMRI-LOWDOPEQSA-N 3 1 225.380 1.105 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246121010 987467223 /nfs/dbraw/zinc/46/72/23/987467223.db2.gz VKOXWZOJDPXKEM-IHRRRGAJSA-N 3 1 237.391 1.250 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246120965 987468780 /nfs/dbraw/zinc/46/87/80/987468780.db2.gz SNVDXPNFGCHHNR-OCCSQVGLSA-N 2 1 248.370 1.968 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246120651 987469325 /nfs/dbraw/zinc/46/93/25/987469325.db2.gz NBBYLIVMZKRPGO-FDYHWXHSSA-N 3 1 239.407 1.351 20 0 BDADMP CC1(NC2CCC3(CC[NH2+]CC3)CC2)C[NH2+]C1 ZINC001246130181 987475412 /nfs/dbraw/zinc/47/54/12/987475412.db2.gz TXNIPYKKWIFMLT-UHFFFAOYSA-N 2 1 237.391 1.250 20 0 BDADMP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130849 987477249 /nfs/dbraw/zinc/47/72/49/987477249.db2.gz WQHNDBWZYRFFFG-AGIUHOORSA-N 2 1 228.380 1.922 20 0 BDADMP CC1(C)C[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)CCO1 ZINC001246132333 987481573 /nfs/dbraw/zinc/48/15/73/987481573.db2.gz LURAXPNPFQWFJZ-QWRGUYRKSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246133056 987484395 /nfs/dbraw/zinc/48/43/95/987484395.db2.gz NPWGDBBOQXXEQB-POQQGIQPSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@H]1C ZINC001246132019 987484746 /nfs/dbraw/zinc/48/47/46/987484746.db2.gz CGOPSMMAUQDLIE-FAYOZSNISA-N 2 1 238.375 1.388 20 0 BDADMP C1CC12C[NH2+]C[C@@H]2[NH2+][C@H]1CCCSC1 ZINC001246136536 987495803 /nfs/dbraw/zinc/49/58/03/987495803.db2.gz XOUXNJADAFUMJR-UWVGGRQHSA-N 2 1 212.362 1.224 20 0 BDADMP C1C[C@H]2CC([NH2+][C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]1[NH2+]2 ZINC001246143775 987500531 /nfs/dbraw/zinc/50/05/31/987500531.db2.gz HDHFZOHCPZWTMV-CXRDHPDISA-N 3 1 249.402 1.247 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCCCC1 ZINC001246150017 987509488 /nfs/dbraw/zinc/50/94/88/987509488.db2.gz FGXFJPHYODCPSQ-LBPRGKRZSA-N 2 1 242.363 1.579 20 0 BDADMP CC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246152936 987513560 /nfs/dbraw/zinc/51/35/60/987513560.db2.gz PVYIGYGNSGGJPY-UWVGGRQHSA-N 2 1 216.325 1.045 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCCCC[NH3+])C[NH2+]1 ZINC001246165244 987519815 /nfs/dbraw/zinc/51/98/15/987519815.db2.gz QDHGUJCAMSOEOB-RYUDHWBXSA-N 3 1 213.369 1.236 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CCCO2)C1 ZINC000401222398 987542532 /nfs/dbraw/zinc/54/25/32/987542532.db2.gz ZZIIYHDGQBIRSX-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CCCO2)C1 ZINC000401222398 987542540 /nfs/dbraw/zinc/54/25/40/987542540.db2.gz ZZIIYHDGQBIRSX-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186793 987567184 /nfs/dbraw/zinc/56/71/84/987567184.db2.gz HWLQSAOPNDSRES-IJLUTSLNSA-N 2 1 240.347 1.060 20 0 BDADMP CC(C)[NH+]1CCC(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246193174 987579934 /nfs/dbraw/zinc/57/99/34/987579934.db2.gz UTEQYADZDGKPGA-CQSZACIVSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246213103 987610100 /nfs/dbraw/zinc/61/01/00/987610100.db2.gz YNEXSQLLVGUJCN-ZDEQEGDKSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@H]1CC[C@H](NC[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246222571 987620151 /nfs/dbraw/zinc/62/01/51/987620151.db2.gz IBQLZKHZFJXZLF-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCCNC1 ZINC001246229486 987626208 /nfs/dbraw/zinc/62/62/08/987626208.db2.gz JVVNRDNNHSNANO-OLZOCXBDSA-N 2 1 225.380 1.108 20 0 BDADMP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCCNC1 ZINC001246229491 987627365 /nfs/dbraw/zinc/62/73/65/987627365.db2.gz JVVNRDNNHSNANO-QWHCGFSZSA-N 2 1 225.380 1.108 20 0 BDADMP Cc1ccnc(CCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246242638 987645846 /nfs/dbraw/zinc/64/58/46/987645846.db2.gz ZVXCSLYNYWWAFA-CQSZACIVSA-N 2 1 233.359 1.664 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccs2)CC[NH2+]1 ZINC001246257755 987655995 /nfs/dbraw/zinc/65/59/95/987655995.db2.gz IUEQTFQAMHOSAA-VWYCJHECSA-N 2 1 240.372 1.512 20 0 BDADMP CCCNCC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246269829 987667331 /nfs/dbraw/zinc/66/73/31/987667331.db2.gz LLJFTNVBBTWYOM-UONOGXRCSA-N 2 1 239.407 1.498 20 0 BDADMP CCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246297010 987691350 /nfs/dbraw/zinc/69/13/50/987691350.db2.gz DDRGUOHJDVJFCW-TUAOUCFPSA-N 2 1 214.353 1.125 20 0 BDADMP c1cncc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246299485 987695094 /nfs/dbraw/zinc/69/50/94/987695094.db2.gz LBDFLGGEAMMADS-PBWFPOADSA-N 2 1 243.354 1.943 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCCCCC[NH3+])C[NH2+]1 ZINC001246303779 987700396 /nfs/dbraw/zinc/70/03/96/987700396.db2.gz AOQGWRNFWLYSFI-OLZOCXBDSA-N 3 1 227.396 1.626 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH3+])C[C@H](CC)[NH2+]1 ZINC001246306654 987702943 /nfs/dbraw/zinc/70/29/43/987702943.db2.gz RHFBROUPAIWLTA-FVCCEPFGSA-N 3 1 227.396 1.623 20 0 BDADMP CC[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246305465 987703329 /nfs/dbraw/zinc/70/33/29/987703329.db2.gz HTWFBQDNZXUBAW-YNEHKIRRSA-N 3 1 241.423 1.870 20 0 BDADMP CC[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246305462 987703391 /nfs/dbraw/zinc/70/33/91/987703391.db2.gz HTWFBQDNZXUBAW-AVGNSLFASA-N 3 1 241.423 1.870 20 0 BDADMP CCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246306643 987704201 /nfs/dbraw/zinc/70/42/01/987704201.db2.gz LABLMHZCQNKBHA-RDBSUJKOSA-N 2 1 242.407 1.905 20 0 BDADMP CCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246306463 987705287 /nfs/dbraw/zinc/70/52/87/987705287.db2.gz KPEDDIKRPPOWHM-HZSPNIEDSA-N 2 1 242.407 1.905 20 0 BDADMP CC[C@@H](N)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246320609 987727653 /nfs/dbraw/zinc/72/76/53/987727653.db2.gz YZLCIGJFKLXKAN-VXGBXAGGSA-N 2 1 225.380 1.236 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC001246330736 987734639 /nfs/dbraw/zinc/73/46/39/987734639.db2.gz SYVTUYMSFGYBML-MWLCHTKSSA-N 2 1 212.337 1.474 20 0 BDADMP CC(C)[C@H](N)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246335608 987745532 /nfs/dbraw/zinc/74/55/32/987745532.db2.gz ZXTLRKBYARBBDH-QWHCGFSZSA-N 2 1 239.407 1.482 20 0 BDADMP C[NH2+]CC[C@@H](C)[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246342158 987753590 /nfs/dbraw/zinc/75/35/90/987753590.db2.gz RITSRJXXHHAAOL-UPJWGTAASA-N 3 1 225.380 1.378 20 0 BDADMP Nc1cccc(CCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246348241 987754912 /nfs/dbraw/zinc/75/49/12/987754912.db2.gz ISPCRUVTSCFGII-CQSZACIVSA-N 2 1 233.359 1.543 20 0 BDADMP COc1cccc(C[C@@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC001246351236 987760091 /nfs/dbraw/zinc/76/00/91/987760091.db2.gz SNVDXPNFGCHHNR-TZMCWYRMSA-N 2 1 248.370 1.968 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246351236 987760098 /nfs/dbraw/zinc/76/00/98/987760098.db2.gz SNVDXPNFGCHHNR-TZMCWYRMSA-N 2 1 248.370 1.968 20 0 BDADMP C[C@H]1CC[C@@H](NCC[C@H]2CCC[N@H+]2C)C[NH2+]1 ZINC001246357816 987763026 /nfs/dbraw/zinc/76/30/26/987763026.db2.gz ARYLRDCYZFVYER-YNEHKIRRSA-N 2 1 225.380 1.201 20 0 BDADMP COC(=O)CCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246357964 987766838 /nfs/dbraw/zinc/76/68/38/987766838.db2.gz WUEHGQVVAJSHJW-MNOVXSKESA-N 2 1 228.336 1.060 20 0 BDADMP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH2+]1 ZINC001246359829 987767370 /nfs/dbraw/zinc/76/73/70/987767370.db2.gz CZFSFNZIVRVDTO-UBHSHLNASA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)n1cncc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246390383 987780747 /nfs/dbraw/zinc/78/07/47/987780747.db2.gz XSJGOWDPPCDMFZ-RYUDHWBXSA-N 2 1 236.363 1.694 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C2CCC2)CC[NH2+]1 ZINC001246389316 987781348 /nfs/dbraw/zinc/78/13/48/987781348.db2.gz AKKXLZVGEYEKAM-NEPJUHHUSA-N 2 1 248.374 1.838 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCC(C)(C)C1 ZINC001246400318 987782896 /nfs/dbraw/zinc/78/28/96/987782896.db2.gz FDAXSLUJCGDENT-MNOVXSKESA-N 2 1 242.363 1.435 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(C)CC1 ZINC001246402286 987783570 /nfs/dbraw/zinc/78/35/70/987783570.db2.gz UYRZPUYMCOPLPZ-MCIGGMRASA-N 2 1 242.363 1.435 20 0 BDADMP CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)C1 ZINC001246416797 987791219 /nfs/dbraw/zinc/79/12/19/987791219.db2.gz LYAVPAXODBMWBX-UTUOFQBUSA-N 2 1 242.363 1.435 20 0 BDADMP CC[C@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)C1 ZINC001246416795 987791390 /nfs/dbraw/zinc/79/13/90/987791390.db2.gz LYAVPAXODBMWBX-SRVKXCTJSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cncn2CC2CC2)CC[NH2+]1 ZINC001246426668 987794231 /nfs/dbraw/zinc/79/42/31/987794231.db2.gz IWWNNGRRMZBOIC-AAEUAGOBSA-N 2 1 248.374 1.523 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(CCF)c2)CC[NH2+]1 ZINC001246429687 987794573 /nfs/dbraw/zinc/79/45/73/987794573.db2.gz VEMIVAHZTJWFNT-JQWIXIFHSA-N 2 1 240.326 1.083 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)C[NH2+]1 ZINC001246450355 987806502 /nfs/dbraw/zinc/80/65/02/987806502.db2.gz WOGOZYKVUOIXMU-DOMZBBRYSA-N 2 1 248.370 1.452 20 0 BDADMP CC[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453903 987808424 /nfs/dbraw/zinc/80/84/24/987808424.db2.gz RAIUOWJQYSMBTL-CHWSQXEVSA-N 3 1 227.396 1.483 20 0 BDADMP CCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453448 987810590 /nfs/dbraw/zinc/81/05/90/987810590.db2.gz ONCQONWFUPEDLW-LLVKDONJSA-N 3 1 201.358 1.093 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCCNC2)C1 ZINC001246450426 987810788 /nfs/dbraw/zinc/81/07/88/987810788.db2.gz QWDRIOMWAWBWCP-RDBSUJKOSA-N 2 1 239.407 1.483 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001474756805 987819436 /nfs/dbraw/zinc/81/94/36/987819436.db2.gz MCLGHCQIIOLCCO-YIYPIFLZSA-N 2 1 248.374 1.201 20 0 BDADMP Cc1ncncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246469592 987827862 /nfs/dbraw/zinc/82/78/62/987827862.db2.gz DHEPJZKPCQFYRO-FUNVUKJBSA-N 2 1 232.331 1.158 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246485557 987841850 /nfs/dbraw/zinc/84/18/50/987841850.db2.gz AXBXJPCVLGXXMX-QWHCGFSZSA-N 2 1 225.380 1.272 20 0 BDADMP CCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246490183 987844042 /nfs/dbraw/zinc/84/40/42/987844042.db2.gz OUAHBDBTPRBJQK-STQMWFEESA-N 2 1 227.396 1.496 20 0 BDADMP CCCCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246491040 987847669 /nfs/dbraw/zinc/84/76/69/987847669.db2.gz SGWLYFQQYQQRFJ-KGLIPLIRSA-N 2 1 241.423 1.886 20 0 BDADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246497899 987854004 /nfs/dbraw/zinc/85/40/04/987854004.db2.gz OFKDVKFOWMWQFX-RHYQMDGZSA-N 2 1 240.347 1.058 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246516762 987861742 /nfs/dbraw/zinc/86/17/42/987861742.db2.gz UGHBXGAERSXSMP-NDBYEHHHSA-N 2 1 226.364 1.674 20 0 BDADMP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246513421 987862556 /nfs/dbraw/zinc/86/25/56/987862556.db2.gz WEMSFTNVCNOJAV-RUXDESIVSA-N 3 1 239.407 1.448 20 0 BDADMP C[NH2+]C1CCC([NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC001246507535 987862742 /nfs/dbraw/zinc/86/27/42/987862742.db2.gz YKMZAHPGMIGBLB-BPCQOVAHSA-N 3 1 227.396 1.480 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CCC3(COC3)CC2)CC[NH2+]1 ZINC001246522946 987871630 /nfs/dbraw/zinc/87/16/30/987871630.db2.gz KGHOVIQDHPKSCY-RYUDHWBXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CCC3(COC3)CC2)CC[NH2+]1 ZINC001246522944 987873638 /nfs/dbraw/zinc/87/36/38/987873638.db2.gz KGHOVIQDHPKSCY-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP COC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246526130 987878554 /nfs/dbraw/zinc/87/85/54/987878554.db2.gz MEXMFPNYMREQLD-WOPDTQHZSA-N 2 1 240.347 1.012 20 0 BDADMP Fc1cccc2c1CC[C@H]([N@@H+]1CCC[NH2+]CC1)C2 ZINC001246525514 987878627 /nfs/dbraw/zinc/87/86/27/987878627.db2.gz SALDQFGJKPTOCX-ZDUSSCGKSA-N 2 1 248.345 1.978 20 0 BDADMP Fc1cccc2c1CC[C@H]([N@H+]1CCC[NH2+]CC1)C2 ZINC001246525514 987878634 /nfs/dbraw/zinc/87/86/34/987878634.db2.gz SALDQFGJKPTOCX-ZDUSSCGKSA-N 2 1 248.345 1.978 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532565 987890784 /nfs/dbraw/zinc/89/07/84/987890784.db2.gz WXGCMHZESMLCNS-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246532565 987890790 /nfs/dbraw/zinc/89/07/90/987890790.db2.gz WXGCMHZESMLCNS-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H]1C[N@@H+]([C@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C[NH3+] ZINC001246538311 987899821 /nfs/dbraw/zinc/89/98/21/987899821.db2.gz AXAUTDSLKZZIGE-XQQFMLRXSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1C[NH3+] ZINC001246538311 987899823 /nfs/dbraw/zinc/89/98/23/987899823.db2.gz AXAUTDSLKZZIGE-XQQFMLRXSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@](O)(C[NH3+])CC2)C1 ZINC001246541978 987909137 /nfs/dbraw/zinc/90/91/37/987909137.db2.gz HZPQOBKWTRFACI-MGPQQGTHSA-N 2 1 240.391 1.741 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246541581 987912534 /nfs/dbraw/zinc/91/25/34/987912534.db2.gz MFGXFHMFEOQJJX-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP COC(=O)CC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544926 987917068 /nfs/dbraw/zinc/91/70/68/987917068.db2.gz IGSXLCNXVBQSCO-MNOVXSKESA-N 2 1 228.336 1.141 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544187 987917921 /nfs/dbraw/zinc/91/79/21/987917921.db2.gz WKBLXGRTWHHFRQ-RWMBFGLXSA-N 2 1 228.380 1.717 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544967 987918574 /nfs/dbraw/zinc/91/85/74/987918574.db2.gz IOQGGHWYFDEPNE-FKJOKYEKSA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544967 987918584 /nfs/dbraw/zinc/91/85/84/987918584.db2.gz IOQGGHWYFDEPNE-FKJOKYEKSA-N 3 1 223.364 1.083 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CCOC3)CC2)C[NH2+]1 ZINC001246545558 987922788 /nfs/dbraw/zinc/92/27/88/987922788.db2.gz GYVMNNHZPSGGPN-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP COC(=O)CC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544930 987923312 /nfs/dbraw/zinc/92/33/12/987923312.db2.gz IGSXLCNXVBQSCO-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547940 987932785 /nfs/dbraw/zinc/93/27/85/987932785.db2.gz DKHKXOGJPVOBOT-DGAVXFQQSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547940 987932799 /nfs/dbraw/zinc/93/27/99/987932799.db2.gz DKHKXOGJPVOBOT-DGAVXFQQSA-N 3 1 237.391 1.473 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549846 987933354 /nfs/dbraw/zinc/93/33/54/987933354.db2.gz IMNQMUKIKQEJOT-GXTWGEPZSA-N 3 1 239.407 1.720 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549846 987933358 /nfs/dbraw/zinc/93/33/58/987933358.db2.gz IMNQMUKIKQEJOT-GXTWGEPZSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246549691 987934792 /nfs/dbraw/zinc/93/47/92/987934792.db2.gz HQHALNSEQRGOFV-QNSTZXKLSA-N 3 1 239.407 1.432 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246549691 987934800 /nfs/dbraw/zinc/93/48/00/987934800.db2.gz HQHALNSEQRGOFV-QNSTZXKLSA-N 3 1 239.407 1.432 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCSC2)CC1 ZINC001246550863 987946558 /nfs/dbraw/zinc/94/65/58/987946558.db2.gz ORTWYJBIEJHBSK-WDEREUQCSA-N 2 1 232.368 1.645 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CO1 ZINC001246551698 987949743 /nfs/dbraw/zinc/94/97/43/987949743.db2.gz MLQZNXIRPRXCIN-DGCLKSJQSA-N 2 1 226.364 1.757 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCC[C@](C)([NH3+])CC2)C1 ZINC001246553445 987958549 /nfs/dbraw/zinc/95/85/49/987958549.db2.gz SFTVROFWFAIXRX-STQMWFEESA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246553445 987958557 /nfs/dbraw/zinc/95/85/57/987958557.db2.gz SFTVROFWFAIXRX-STQMWFEESA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246553445 987958566 /nfs/dbraw/zinc/95/85/66/987958566.db2.gz SFTVROFWFAIXRX-STQMWFEESA-N 2 1 225.380 1.284 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCC[C@](C)([NH3+])CC2)C1 ZINC001246553443 987962024 /nfs/dbraw/zinc/96/20/24/987962024.db2.gz SFTVROFWFAIXRX-OLZOCXBDSA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246553443 987962035 /nfs/dbraw/zinc/96/20/35/987962035.db2.gz SFTVROFWFAIXRX-OLZOCXBDSA-N 2 1 225.380 1.284 20 0 BDADMP CN1CCC[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246553443 987962044 /nfs/dbraw/zinc/96/20/44/987962044.db2.gz SFTVROFWFAIXRX-OLZOCXBDSA-N 2 1 225.380 1.284 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246556052 987965922 /nfs/dbraw/zinc/96/59/22/987965922.db2.gz YHAAQZJQOSPJCF-XQQFMLRXSA-N 2 1 226.364 1.757 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1nc(C)ccc1O ZINC001117953437 987968118 /nfs/dbraw/zinc/96/81/18/987968118.db2.gz GZOGZGSYJJHSSQ-VIFPVBQESA-N 2 1 223.320 1.183 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCSC2)CC[C@H]1C[NH3+] ZINC001246557246 987974931 /nfs/dbraw/zinc/97/49/31/987974931.db2.gz KDGVICAYJWFDRK-WOPDTQHZSA-N 2 1 228.405 1.799 20 0 BDADMP CCCCC[C@@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557770 987977944 /nfs/dbraw/zinc/97/79/44/987977944.db2.gz HJXHXFVAAJOTLC-JHJVBQTASA-N 2 1 228.380 1.739 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC3(COC3)CC2)C[C@H]1[NH3+] ZINC001246560473 987985631 /nfs/dbraw/zinc/98/56/31/987985631.db2.gz HFABBQIKKHTSCX-ZYHUDNBSSA-N 2 1 224.348 1.225 20 0 BDADMP CCCC[C@H](CCC)[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001246560964 987991154 /nfs/dbraw/zinc/99/11/54/987991154.db2.gz WBLGXUFWMNNVAD-QJPTWQEYSA-N 2 1 214.353 1.349 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCOC2)CCC[C@H]1C[NH3+] ZINC001246563050 988003100 /nfs/dbraw/zinc/00/31/00/988003100.db2.gz CAPJDRAFAIYQAM-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@H]2CCCNC2)CC[C@H]1C[NH3+] ZINC001246563472 988009741 /nfs/dbraw/zinc/00/97/41/988009741.db2.gz XDLFYILOEWKHAN-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCCNC2)CC[C@H]1C[NH3+] ZINC001246563472 988009754 /nfs/dbraw/zinc/00/97/54/988009754.db2.gz XDLFYILOEWKHAN-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246564979 988013751 /nfs/dbraw/zinc/01/37/51/988013751.db2.gz ZDMFORNRHUWJSW-YIYPIFLZSA-N 3 1 239.407 1.434 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CC1 ZINC001246564411 988015609 /nfs/dbraw/zinc/01/56/09/988015609.db2.gz NQFMRBMTKZWOAR-MRFVTOPCSA-N 2 1 239.407 1.576 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H](C)[C@H]([NH3+])C1)C2 ZINC001246567106 988023832 /nfs/dbraw/zinc/02/38/32/988023832.db2.gz KTDMBRWMHOQNED-WDBKCZKBSA-N 2 1 246.354 1.441 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C2 ZINC001246567106 988023849 /nfs/dbraw/zinc/02/38/49/988023849.db2.gz KTDMBRWMHOQNED-WDBKCZKBSA-N 2 1 246.354 1.441 20 0 BDADMP C[C@@]1(CF)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246572116 988059759 /nfs/dbraw/zinc/05/97/59/988059759.db2.gz DJPNYJFOMQDECP-HNGCFSAESA-N 2 1 226.339 1.951 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578787 988096752 /nfs/dbraw/zinc/09/67/52/988096752.db2.gz CDRDBMXQOIDGNI-MELADBBJSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578787 988096762 /nfs/dbraw/zinc/09/67/62/988096762.db2.gz CDRDBMXQOIDGNI-MELADBBJSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579270 988104471 /nfs/dbraw/zinc/10/44/71/988104471.db2.gz UAQNBBQHRXTQQA-BFHYXJOUSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@H]1C ZINC001246583835 988120938 /nfs/dbraw/zinc/12/09/38/988120938.db2.gz LBKOUFCQXWAAIJ-BNDIWNMDSA-N 2 1 226.364 1.063 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246585649 988135978 /nfs/dbraw/zinc/13/59/78/988135978.db2.gz PNNPOVRMZBZDOJ-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@H]([N@@H+]2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246585649 988135985 /nfs/dbraw/zinc/13/59/85/988135985.db2.gz PNNPOVRMZBZDOJ-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246585649 988135997 /nfs/dbraw/zinc/13/59/97/988135997.db2.gz PNNPOVRMZBZDOJ-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246591681 988180530 /nfs/dbraw/zinc/18/05/30/988180530.db2.gz NNZMVYXBJYZYJS-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C[C@@]1(C)O ZINC001246595094 988189473 /nfs/dbraw/zinc/18/94/73/988189473.db2.gz XULXIWZQVSFOIM-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C[C@@]1(C)O ZINC001246595094 988189492 /nfs/dbraw/zinc/18/94/92/988189492.db2.gz XULXIWZQVSFOIM-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP CC1(C[NH3+])C[NH+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246595364 988191057 /nfs/dbraw/zinc/19/10/57/988191057.db2.gz HKRFLUSCXOFTRS-URLYPYJESA-N 2 1 222.332 1.025 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597651 988200982 /nfs/dbraw/zinc/20/09/82/988200982.db2.gz YAHXJDSSEKJRNS-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246597651 988200997 /nfs/dbraw/zinc/20/09/97/988200997.db2.gz YAHXJDSSEKJRNS-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC([NH3+])C3)CC2)C[NH2+]1 ZINC001246600783 988206146 /nfs/dbraw/zinc/20/61/46/988206146.db2.gz IFYIBCURKFGZBX-YPMHNXCESA-N 3 1 237.391 1.330 20 0 BDADMP CC(C)CCC[C@@H](C)[N@H+]1CCNC[C@@H](O)C1 ZINC001246604446 988216702 /nfs/dbraw/zinc/21/67/02/988216702.db2.gz SROUBDLQLALLCF-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CCC[C@@H](C)N1CC[NH2+]C[C@@H](O)C1 ZINC001246604446 988216712 /nfs/dbraw/zinc/21/67/12/988216712.db2.gz SROUBDLQLALLCF-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CCC[C@@H](C)[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246604446 988216724 /nfs/dbraw/zinc/21/67/24/988216724.db2.gz SROUBDLQLALLCF-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CCC[C@@H](C)[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246604446 988216736 /nfs/dbraw/zinc/21/67/36/988216736.db2.gz SROUBDLQLALLCF-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CO1 ZINC001246607610 988220462 /nfs/dbraw/zinc/22/04/62/988220462.db2.gz GTYDLKRBCWDGST-GXTWGEPZSA-N 2 1 238.375 1.772 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)CO1 ZINC001246607610 988220485 /nfs/dbraw/zinc/22/04/85/988220485.db2.gz GTYDLKRBCWDGST-GXTWGEPZSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@H]1CC(N2CCC(F)(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246623223 988279799 /nfs/dbraw/zinc/27/97/99/988279799.db2.gz BNOWKHBFQFOIGR-QWRGUYRKSA-N 2 1 243.370 1.278 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630826 988304581 /nfs/dbraw/zinc/30/45/81/988304581.db2.gz PJNQXTAWTPSUDG-IGQOVBAYSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630826 988304596 /nfs/dbraw/zinc/30/45/96/988304596.db2.gz PJNQXTAWTPSUDG-IGQOVBAYSA-N 3 1 237.391 1.058 20 0 BDADMP O=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246635276 988327430 /nfs/dbraw/zinc/32/74/30/988327430.db2.gz JZEZHNABPFZTOE-DUBDDPSESA-N 2 1 234.343 1.180 20 0 BDADMP O=C1C[C@@H]2CC([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246635276 988327436 /nfs/dbraw/zinc/32/74/36/988327436.db2.gz JZEZHNABPFZTOE-DUBDDPSESA-N 2 1 234.343 1.180 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643119 988355962 /nfs/dbraw/zinc/35/59/62/988355962.db2.gz OBIDBUDVHOYNNP-UONOGXRCSA-N 2 1 239.407 1.448 20 0 BDADMP C1[NH2+]CC12CC[C@H]([N@H+]1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646563 988362390 /nfs/dbraw/zinc/36/23/90/988362390.db2.gz GBPIRACEPMWVEB-DZGCQCFKSA-N 3 1 249.402 1.347 20 0 BDADMP C1[NH2+]CC12CC[C@H](N1CCCC[C@]13CC[NH2+]C3)C2 ZINC001246646563 988362404 /nfs/dbraw/zinc/36/24/04/988362404.db2.gz GBPIRACEPMWVEB-DZGCQCFKSA-N 2 1 249.402 1.347 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+]([C@H]1C[C@@H]3CC(=O)C[C@@H]3C1)C2 ZINC001246651279 988378049 /nfs/dbraw/zinc/37/80/49/988378049.db2.gz CKMSOJQASYINFX-SVPLCASGSA-N 2 1 234.343 1.167 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@H+]([C@H]1C[C@@H]3CC(=O)C[C@@H]3C1)C2 ZINC001246651279 988378060 /nfs/dbraw/zinc/37/80/60/988378060.db2.gz CKMSOJQASYINFX-SVPLCASGSA-N 2 1 234.343 1.167 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH2+]1 ZINC001246667841 988412248 /nfs/dbraw/zinc/41/22/48/988412248.db2.gz VXSNNRSPFFIRAA-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC[NH2+]1 ZINC001246679280 988425544 /nfs/dbraw/zinc/42/55/44/988425544.db2.gz TUGMSVWKWBOUSN-NNYUYHANSA-N 2 1 222.332 1.323 20 0 BDADMP COC[C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246729532 988447337 /nfs/dbraw/zinc/44/73/37/988447337.db2.gz OTKVUUAPZALSJF-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246781044 988454086 /nfs/dbraw/zinc/45/40/86/988454086.db2.gz MVRXRXMXPVZYHK-DGCLKSJQSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H]1CCCCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246768089 988454320 /nfs/dbraw/zinc/45/43/20/988454320.db2.gz FDCJHGHNCCOYAW-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CC[NH2+]1 ZINC001246768669 988456091 /nfs/dbraw/zinc/45/60/91/988456091.db2.gz GASNYFMBGSQHJV-UHFZAUJKSA-N 2 1 212.312 1.559 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)CC[NH2+]1 ZINC001246808762 988492383 /nfs/dbraw/zinc/49/23/83/988492383.db2.gz PCBCDGGCJRBERP-IEECTRCBSA-N 3 1 223.364 1.081 20 0 BDADMP COC(C)(C)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246809274 988492485 /nfs/dbraw/zinc/49/24/85/988492485.db2.gz GOJVKGRLWMSUGW-LBPRGKRZSA-N 2 1 226.364 1.628 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246815275 988499187 /nfs/dbraw/zinc/49/91/87/988499187.db2.gz XADCKPSJFLOWMR-WDEREUQCSA-N 2 1 228.336 1.012 20 0 BDADMP C1CC12C[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246831077 988520729 /nfs/dbraw/zinc/52/07/29/988520729.db2.gz AODRNJKVSBDFMZ-KBPBESRZSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12C[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246831080 988521011 /nfs/dbraw/zinc/52/10/11/988521011.db2.gz AODRNJKVSBDFMZ-UONOGXRCSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12C[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246831079 988521899 /nfs/dbraw/zinc/52/18/99/988521899.db2.gz AODRNJKVSBDFMZ-KGLIPLIRSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@H]1CC[C@H](N2CCC[N@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246850595 988560880 /nfs/dbraw/zinc/56/08/80/988560880.db2.gz UUIMAIHKNNYAGZ-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP CC[N@@H+](CCn1cccn1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246851630 988568392 /nfs/dbraw/zinc/56/83/92/988568392.db2.gz ZANUUYPUBOAORX-STQMWFEESA-N 2 1 236.363 1.346 20 0 BDADMP CC[N@@H+](CCn1cccn1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246851628 988572810 /nfs/dbraw/zinc/57/28/10/988572810.db2.gz ZANUUYPUBOAORX-OLZOCXBDSA-N 2 1 236.363 1.346 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001246856290 988581177 /nfs/dbraw/zinc/58/11/77/988581177.db2.gz WPIZMTRMQWMOQE-ZZIFITQXSA-N 2 1 222.332 1.120 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001246856287 988581622 /nfs/dbraw/zinc/58/16/22/988581622.db2.gz WPIZMTRMQWMOQE-JVGWCMFKSA-N 2 1 222.332 1.120 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C[C@H]12 ZINC001246854999 988583258 /nfs/dbraw/zinc/58/32/58/988583258.db2.gz RTVZPGGHZKPWJG-NZEXEKPDSA-N 2 1 224.348 1.094 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246861358 988601561 /nfs/dbraw/zinc/60/15/61/988601561.db2.gz PBJFJRKBAUVNPF-KBXIAJHMSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246861358 988601568 /nfs/dbraw/zinc/60/15/68/988601568.db2.gz PBJFJRKBAUVNPF-KBXIAJHMSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246861358 988601585 /nfs/dbraw/zinc/60/15/85/988601585.db2.gz PBJFJRKBAUVNPF-KBXIAJHMSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@@H]1CCc3ncsc3C1)C2 ZINC001246869701 988631010 /nfs/dbraw/zinc/63/10/10/988631010.db2.gz NJCDCPILTBZTFS-SBMIAAHKSA-N 2 1 235.356 1.033 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@@H]1CCc3ncsc3C1)C2 ZINC001246869701 988631020 /nfs/dbraw/zinc/63/10/20/988631020.db2.gz NJCDCPILTBZTFS-SBMIAAHKSA-N 2 1 235.356 1.033 20 0 BDADMP C[N@@H+](C1CC1)C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246873076 988632954 /nfs/dbraw/zinc/63/29/54/988632954.db2.gz DEUMLAIIEAPUMJ-AWEZNQCLSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC001246893632 988661439 /nfs/dbraw/zinc/66/14/39/988661439.db2.gz LKASUJNQBLESHX-RAIGVLPGSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC001246893632 988661443 /nfs/dbraw/zinc/66/14/43/988661443.db2.gz LKASUJNQBLESHX-RAIGVLPGSA-N 2 1 224.348 1.238 20 0 BDADMP CCC[N@H+]([C@@H](C)CC[NH2+]C)C1CC[NH2+]CC1 ZINC001246894586 988663330 /nfs/dbraw/zinc/66/33/30/988663330.db2.gz OAYROSZRMGLVGK-LBPRGKRZSA-N 3 1 227.396 1.448 20 0 BDADMP CCC[N@@H+]([C@@H](C)CC[NH2+]C)C1CC[NH2+]CC1 ZINC001246894586 988663337 /nfs/dbraw/zinc/66/33/37/988663337.db2.gz OAYROSZRMGLVGK-LBPRGKRZSA-N 3 1 227.396 1.448 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1CN ZINC001246906820 988680471 /nfs/dbraw/zinc/68/04/71/988680471.db2.gz BANGSNQCKCSGQS-UONOGXRCSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906820 988680483 /nfs/dbraw/zinc/68/04/83/988680483.db2.gz BANGSNQCKCSGQS-UONOGXRCSA-N 3 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906820 988680502 /nfs/dbraw/zinc/68/05/02/988680502.db2.gz BANGSNQCKCSGQS-UONOGXRCSA-N 3 1 241.423 1.920 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2CN)C1 ZINC001246907691 988688794 /nfs/dbraw/zinc/68/87/94/988688794.db2.gz HRYGGMRSYOBEQD-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2CN)C1 ZINC001246907691 988688798 /nfs/dbraw/zinc/68/87/98/988688798.db2.gz HRYGGMRSYOBEQD-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP C[N@@H+](CCO)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001246911178 988693517 /nfs/dbraw/zinc/69/35/17/988693517.db2.gz FKVAQEVLJHJVIM-PBWFPOADSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](CCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001246911178 988693528 /nfs/dbraw/zinc/69/35/28/988693528.db2.gz FKVAQEVLJHJVIM-PBWFPOADSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](CCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001246911178 988693539 /nfs/dbraw/zinc/69/35/39/988693539.db2.gz FKVAQEVLJHJVIM-PBWFPOADSA-N 2 1 238.375 1.316 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246911249 988694096 /nfs/dbraw/zinc/69/40/96/988694096.db2.gz AXFLBYOBYCFYSR-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246911249 988694103 /nfs/dbraw/zinc/69/41/03/988694103.db2.gz AXFLBYOBYCFYSR-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP C[N@@H+](CCO)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246911353 988696722 /nfs/dbraw/zinc/69/67/22/988696722.db2.gz GOAZXMPQDVKNIW-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2CCC[NH2+]C2)C1 ZINC001246910919 988698503 /nfs/dbraw/zinc/69/85/03/988698503.db2.gz LQUBVAMKZRDWBR-QWHCGFSZSA-N 2 1 225.380 1.153 20 0 BDADMP C[N@@H+](CCO)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246911662 988701060 /nfs/dbraw/zinc/70/10/60/988701060.db2.gz IHPICQCMAQKWRM-CABCVRRESA-N 2 1 248.370 1.274 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246915081 988706480 /nfs/dbraw/zinc/70/64/80/988706480.db2.gz LWXBNXFDFBNIKN-RWMBFGLXSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246915081 988706485 /nfs/dbraw/zinc/70/64/85/988706485.db2.gz LWXBNXFDFBNIKN-RWMBFGLXSA-N 2 1 226.364 1.484 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCCC[C@H]2N)CC1 ZINC001246918776 988711572 /nfs/dbraw/zinc/71/15/72/988711572.db2.gz MBPFZQHBLCULHN-NWINJMCUSA-N 2 1 239.407 1.719 20 0 BDADMP COC(=O)C1CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246917431 988711654 /nfs/dbraw/zinc/71/16/54/988711654.db2.gz QUBCWEVBSOLOOO-HTAVTVPLSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)C1CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246917431 988711682 /nfs/dbraw/zinc/71/16/82/988711682.db2.gz QUBCWEVBSOLOOO-HTAVTVPLSA-N 2 1 240.347 1.141 20 0 BDADMP CN1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001246923071 988740356 /nfs/dbraw/zinc/74/03/56/988740356.db2.gz YVSUYSOBUKAAEK-MQAAVTGUSA-N 2 1 249.402 1.295 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC[NH2+]1 ZINC001246929882 988746174 /nfs/dbraw/zinc/74/61/74/988746174.db2.gz IHYAETYTUINMQG-FQUUOJAGSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCO1 ZINC001246929313 988755679 /nfs/dbraw/zinc/75/56/79/988755679.db2.gz DVBKNXOADZPWHR-FQUUOJAGSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CC3(CSC3)C2)CC[NH2+]1 ZINC001246950830 988785850 /nfs/dbraw/zinc/78/58/50/988785850.db2.gz XXQIBINEBFFOJV-VHSXEESVSA-N 2 1 212.362 1.176 20 0 BDADMP CC[N@@H+](C)C1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246948885 988788315 /nfs/dbraw/zinc/78/83/15/988788315.db2.gz GKUNXDPYYHARLD-GXTWGEPZSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H](N)C[N@@H+](C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246980385 988789324 /nfs/dbraw/zinc/78/93/24/988789324.db2.gz HZVVTRYCKOYADC-XQQFMLRXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246980385 988789333 /nfs/dbraw/zinc/78/93/33/988789333.db2.gz HZVVTRYCKOYADC-XQQFMLRXSA-N 2 1 225.380 1.188 20 0 BDADMP COC(=O)C[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246970259 988800855 /nfs/dbraw/zinc/80/08/55/988800855.db2.gz YTECPAIIXWQLPB-QJPTWQEYSA-N 2 1 240.347 1.012 20 0 BDADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246976478 988806231 /nfs/dbraw/zinc/80/62/31/988806231.db2.gz QQFJMVGSLABXJS-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246976478 988806235 /nfs/dbraw/zinc/80/62/35/988806235.db2.gz QQFJMVGSLABXJS-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CC[NH2+]C ZINC001246997046 988827763 /nfs/dbraw/zinc/82/77/63/988827763.db2.gz USNDCBVUGRJEOV-OLZOCXBDSA-N 3 1 227.396 1.306 20 0 BDADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CC[NH2+]C ZINC001246997046 988827765 /nfs/dbraw/zinc/82/77/65/988827765.db2.gz USNDCBVUGRJEOV-OLZOCXBDSA-N 3 1 227.396 1.306 20 0 BDADMP COC(=O)[C@@]1(C)CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000384 988834153 /nfs/dbraw/zinc/83/41/53/988834153.db2.gz ICXCBLVSZAKXHT-WZRBSPASSA-N 2 1 240.347 1.012 20 0 BDADMP [NH3+]CCCc1[nH]c2cc3c(cc2[nH+]1)OCO3 ZINC001247010047 988835141 /nfs/dbraw/zinc/83/51/41/988835141.db2.gz GTEDMSXCYNRNKK-UHFFFAOYSA-N 2 1 219.244 1.183 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247005139 988836151 /nfs/dbraw/zinc/83/61/51/988836151.db2.gz GERRHROTXWKCAJ-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001247015239 988839047 /nfs/dbraw/zinc/83/90/47/988839047.db2.gz NOVJIODRBLUMTQ-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001247015239 988839051 /nfs/dbraw/zinc/83/90/51/988839051.db2.gz NOVJIODRBLUMTQ-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001247015242 988840912 /nfs/dbraw/zinc/84/09/12/988840912.db2.gz NOVJIODRBLUMTQ-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001247015242 988840914 /nfs/dbraw/zinc/84/09/14/988840914.db2.gz NOVJIODRBLUMTQ-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CO1 ZINC001247016157 988844257 /nfs/dbraw/zinc/84/42/57/988844257.db2.gz SAODTXBAROGNRD-FRRDWIJNSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017131 988844687 /nfs/dbraw/zinc/84/46/87/988844687.db2.gz ZVSNLINUDRTWSX-DGAVXFQQSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017131 988844690 /nfs/dbraw/zinc/84/46/90/988844690.db2.gz ZVSNLINUDRTWSX-DGAVXFQQSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1CCC[N@@H+](CCNc2nccnc2C[NH3+])C1 ZINC001515361154 989036503 /nfs/dbraw/zinc/03/65/03/989036503.db2.gz BYXIXIUNWBWEFI-NSHDSACASA-N 2 1 249.362 1.079 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(OC)c1F ZINC001325319062 989155665 /nfs/dbraw/zinc/15/56/65/989155665.db2.gz JJEKTAFUCPBXAU-JTQLQIEISA-N 2 1 240.322 1.922 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnc(C)s1 ZINC001325719630 989236199 /nfs/dbraw/zinc/23/61/99/989236199.db2.gz ZFWDMSOQNJWTDU-DTWKUNHWSA-N 2 1 227.377 1.958 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC001325744297 989248750 /nfs/dbraw/zinc/24/87/50/989248750.db2.gz UGVPDPYYQKUMKK-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CCc1ccc(F)cc1F)C1CC1 ZINC001326073909 989363347 /nfs/dbraw/zinc/36/33/47/989363347.db2.gz BAQYHURBQCPBQE-CYBMUJFWSA-N 2 1 240.297 1.834 20 0 BDADMP C[NH2+]CCCc1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001326485946 989582551 /nfs/dbraw/zinc/58/25/51/989582551.db2.gz LHCZVUJHOFBMTM-GFCCVEGCSA-N 2 1 246.314 1.270 20 0 BDADMP C[C@H](C[NH3+])c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326976267 989792636 /nfs/dbraw/zinc/79/26/36/989792636.db2.gz DFAXBCKJUMCIKB-SCZZXKLOSA-N 2 1 232.287 1.180 20 0 BDADMP C[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001122371907 990359362 /nfs/dbraw/zinc/35/93/62/990359362.db2.gz XGGANBGCHMLBLH-SNVBAGLBSA-N 2 1 248.330 1.358 20 0 BDADMP CCOC(=O)CCC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001258115219 991023591 /nfs/dbraw/zinc/02/35/91/991023591.db2.gz FPOFYFNPJGJRLX-JTQLQIEISA-N 2 1 228.336 1.189 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)C(F)F ZINC001308791303 991121855 /nfs/dbraw/zinc/12/18/55/991121855.db2.gz HKRBYDBWXQGCTB-ZJUUUORDSA-N 2 1 236.306 1.075 20 0 BDADMP COC(=O)CC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001258348212 991257304 /nfs/dbraw/zinc/25/73/04/991257304.db2.gz JUWRSLUAKDEBKP-LLVKDONJSA-N 2 1 230.352 1.387 20 0 BDADMP COC(=O)CC[C@@H](C)[N@@H+](C)CCC[NH+](C)C ZINC001258365478 991309554 /nfs/dbraw/zinc/30/95/54/991309554.db2.gz ZBSMUQUMBZWCGN-LLVKDONJSA-N 2 1 230.352 1.212 20 0 BDADMP CCC1(C[NH+]2CCC([NH+]3CCC3)CC2)COC1 ZINC001202969515 991355709 /nfs/dbraw/zinc/35/57/09/991355709.db2.gz XXQLOIBKFJMGAZ-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CCc1nocc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001560476151 991483050 /nfs/dbraw/zinc/48/30/50/991483050.db2.gz ZYVQGJPBCNVLHQ-YHWZYXNKSA-N 2 1 249.358 1.952 20 0 BDADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccncc1O)CC2 ZINC001140281040 991601055 /nfs/dbraw/zinc/60/10/55/991601055.db2.gz URIGGXMFHMRPQD-UHFFFAOYSA-N 2 1 247.342 1.315 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001258775141 991737520 /nfs/dbraw/zinc/73/75/20/991737520.db2.gz BKPQTSGRRYLFEH-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC001258771895 991738748 /nfs/dbraw/zinc/73/87/48/991738748.db2.gz ZQXACUQABKYAJR-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC001258771895 991738753 /nfs/dbraw/zinc/73/87/53/991738753.db2.gz ZQXACUQABKYAJR-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)[C@H]2CCOC2)CC1 ZINC001258775320 991742061 /nfs/dbraw/zinc/74/20/61/991742061.db2.gz KCNCLJCZKJWHPX-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2CCO[C@H](CN(C)C)C2)C1 ZINC001258820165 991840811 /nfs/dbraw/zinc/84/08/11/991840811.db2.gz VLZJVBJMPLXVAD-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CCC[C@H](N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC001258820165 991840813 /nfs/dbraw/zinc/84/08/13/991840813.db2.gz VLZJVBJMPLXVAD-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001474756855 992514095 /nfs/dbraw/zinc/51/40/95/992514095.db2.gz MYCSBRKICAPAEC-FDZXDKCCSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CO1 ZINC001474757321 992530253 /nfs/dbraw/zinc/53/02/53/992530253.db2.gz UVJYTIDRWGXOPP-KSSYENDESA-N 2 1 224.348 1.094 20 0 BDADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C ZINC001573469116 992616499 /nfs/dbraw/zinc/61/64/99/992616499.db2.gz JIRCBKSPGATXLV-VHSXEESVSA-N 2 1 214.353 1.517 20 0 BDADMP CC[C@@]1(C)CCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001573709394 992683335 /nfs/dbraw/zinc/68/33/35/992683335.db2.gz KLTCMYJHPHUISX-UONOGXRCSA-N 2 1 240.391 1.613 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC001574010921 992791422 /nfs/dbraw/zinc/79/14/22/992791422.db2.gz VFMXQDARYBFQQC-TXEJJXNPSA-N 2 1 212.337 1.095 20 0 BDADMP [NH3+]CC[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC001574280499 992838618 /nfs/dbraw/zinc/83/86/18/992838618.db2.gz XHKLEAYLVFFZCW-UHFFFAOYSA-N 2 1 234.343 1.967 20 0 BDADMP C([N@H+]1CCC[C@H](C2CC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC001574774415 992898485 /nfs/dbraw/zinc/89/84/85/992898485.db2.gz MUCOYNCAWSJGQI-MELADBBJSA-N 2 1 220.360 1.718 20 0 BDADMP CC(C)[C@@H](CO)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575436500 993044487 /nfs/dbraw/zinc/04/44/87/993044487.db2.gz ZPVOZHWIRHHZMT-BDAKNGLRSA-N 2 1 242.285 1.120 20 0 BDADMP CC(C)(O)C[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575379803 993032794 /nfs/dbraw/zinc/03/27/94/993032794.db2.gz LRVJKGXWJAZUMB-WCQYABFASA-N 2 1 226.364 1.208 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC001575423326 993039617 /nfs/dbraw/zinc/03/96/17/993039617.db2.gz SASUGIDHIIUFRN-NWDGAFQWSA-N 2 1 228.380 1.310 20 0 BDADMP CC(C)[C@H](CO)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C(C)C ZINC001575431372 993041339 /nfs/dbraw/zinc/04/13/39/993041339.db2.gz CBYGAZSVJKRAMB-RDBSUJKOSA-N 2 1 242.407 1.617 20 0 BDADMP CC(C)OC1CC([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001575748459 993104478 /nfs/dbraw/zinc/10/44/78/993104478.db2.gz BTXSDEQKFHVPJS-ZMZXKLSGSA-N 2 1 224.348 1.425 20 0 BDADMP C[C@@H](CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC001575966877 993142957 /nfs/dbraw/zinc/14/29/57/993142957.db2.gz ISMZDJRJXUOTIT-QWHCGFSZSA-N 3 1 241.423 1.694 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001576104777 993182682 /nfs/dbraw/zinc/18/26/82/993182682.db2.gz IXBGVQBRPBYOOH-MFQSTILNSA-N 2 1 242.363 1.432 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001576116916 993187598 /nfs/dbraw/zinc/18/75/98/993187598.db2.gz BSJUKTMSXBVANK-PWSUYJOCSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576156849 993195576 /nfs/dbraw/zinc/19/55/76/993195576.db2.gz LFYOINIHVBUXEI-IEECTRCBSA-N 2 1 208.349 1.702 20 0 BDADMP C[C@H](O)[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576269014 993246577 /nfs/dbraw/zinc/24/65/77/993246577.db2.gz KHYDPDTTXQDPDV-WUHRBBMRSA-N 2 1 226.364 1.349 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C[C@H](C)C[NH3+])CC1 ZINC000379836623 993286254 /nfs/dbraw/zinc/28/62/54/993286254.db2.gz FLYWESDUZMMLKX-LLVKDONJSA-N 3 1 213.369 1.044 20 0 BDADMP CC1(C)CC[C@@H](C[NH2+]CC[C@H]2CCOC2)[NH2+]C1 ZINC001576421959 993299935 /nfs/dbraw/zinc/29/99/35/993299935.db2.gz SNLLOHOYILQDMN-STQMWFEESA-N 2 1 240.391 1.781 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H](C[NH3+])C2)CCCCO1 ZINC001576502953 993326450 /nfs/dbraw/zinc/32/64/50/993326450.db2.gz JMIVDHGUFHEDGQ-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP CC1(O)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001576546092 993339560 /nfs/dbraw/zinc/33/95/60/993339560.db2.gz ZMRLOWVZWDXYMF-VFIJVLHUSA-N 2 1 224.348 1.163 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000380684772 993343135 /nfs/dbraw/zinc/34/31/35/993343135.db2.gz HFWVMXWZQLDURQ-NWDGAFQWSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)CC[NH2+]1 ZINC001576598265 993364343 /nfs/dbraw/zinc/36/43/43/993364343.db2.gz NBCNMMFCCPFLQP-FQUUOJAGSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC001576608287 993365926 /nfs/dbraw/zinc/36/59/26/993365926.db2.gz PPCULUFFIOUDBN-ONGXEEELSA-N 2 1 221.304 1.099 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CC[N@@H+]1C ZINC001576623967 993373413 /nfs/dbraw/zinc/37/34/13/993373413.db2.gz NJUHNTBQPKXTSA-DZRIKWTFSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(CC([NH3+])C3)C2)CC[N@H+]1C ZINC001576623967 993373418 /nfs/dbraw/zinc/37/34/18/993373418.db2.gz NJUHNTBQPKXTSA-DZRIKWTFSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)O1 ZINC001576624001 993373726 /nfs/dbraw/zinc/37/37/26/993373726.db2.gz OHPGQPVGAYPZDV-LZQZFOIKSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]32)C[NH2+]1 ZINC001576667634 993378277 /nfs/dbraw/zinc/37/82/77/993378277.db2.gz VHRAZXCGHQDILE-UJPOAAIJSA-N 2 1 208.349 1.905 20 0 BDADMP C[C@H]1CC[C@@](CO)([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001576650833 993383654 /nfs/dbraw/zinc/38/36/54/993383654.db2.gz NOKWBISHSBNCDO-RFQIPJPRSA-N 2 1 240.391 1.325 20 0 BDADMP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC000381263340 993383915 /nfs/dbraw/zinc/38/39/15/993383915.db2.gz PVQHTIVBTGUKOU-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC000381323902 993384467 /nfs/dbraw/zinc/38/44/67/993384467.db2.gz QBRFFFWPUSBYNZ-AVGNSLFASA-N 2 1 228.380 1.730 20 0 BDADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000381306655 993385903 /nfs/dbraw/zinc/38/59/03/993385903.db2.gz KNPFACONALWIPV-JQWIXIFHSA-N 2 1 217.316 1.541 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@H](N[C@H]2CC[N@H+](C)C2)C1 ZINC000381374411 993389896 /nfs/dbraw/zinc/38/98/96/993389896.db2.gz JGTCPUHYPITNCE-AVGNSLFASA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@H](N[C@H]2CC[N@@H+](C)C2)C1 ZINC000381374411 993389900 /nfs/dbraw/zinc/38/99/00/993389900.db2.gz JGTCPUHYPITNCE-AVGNSLFASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC001576729537 993408298 /nfs/dbraw/zinc/40/82/98/993408298.db2.gz QEDCICAIHADYSM-RKFYDKJMSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCC[NH2+]C1CC1 ZINC001576730985 993408722 /nfs/dbraw/zinc/40/87/22/993408722.db2.gz BPRBWXUQKRSAAB-BZPMIXESSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H]1CO ZINC001576732467 993408800 /nfs/dbraw/zinc/40/88/00/993408800.db2.gz VBDSLAOWKLIAFQ-WUHRBBMRSA-N 2 1 226.364 1.064 20 0 BDADMP c1cn2c([nH+]1)C[C@@H](Nc1cc[nH+]cc1)CC2 ZINC000381609815 993410937 /nfs/dbraw/zinc/41/09/37/993410937.db2.gz SKJRQUUBDSTSRC-NSHDSACASA-N 2 1 214.272 1.127 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@]1(C)CO ZINC001576807432 993426769 /nfs/dbraw/zinc/42/67/69/993426769.db2.gz PWPAVUUGMNMRNC-YVECIDJPSA-N 2 1 226.364 1.064 20 0 BDADMP CC[C@@](C)(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC001576949874 993465681 /nfs/dbraw/zinc/46/56/81/993465681.db2.gz TYDFGKYDAUQOOJ-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC001576959818 993468913 /nfs/dbraw/zinc/46/89/13/993468913.db2.gz ICZVCFXLNXUKLC-KKOKHZNYSA-N 2 1 214.353 1.124 20 0 BDADMP CCC(CC)(C[NH3+])[NH2+]Cc1cnc2cnccn12 ZINC001577059600 993493373 /nfs/dbraw/zinc/49/33/73/993493373.db2.gz RLYOSVAECIXUOP-UHFFFAOYSA-N 2 1 247.346 1.336 20 0 BDADMP C[C@@H]1CC[C@H](N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[NH2+]1 ZINC000383901632 993524881 /nfs/dbraw/zinc/52/48/81/993524881.db2.gz NSIXZRCILUOBGP-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1CC[C@@H](N2CC[C@]3(CC[N@@H+](C)C3)C2)C[NH2+]1 ZINC000383901634 993527000 /nfs/dbraw/zinc/52/70/00/993527000.db2.gz NSIXZRCILUOBGP-MCIONIFRSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000384018752 993536093 /nfs/dbraw/zinc/53/60/93/993536093.db2.gz PLYCDUHNMDRDJI-GHMZBOCLSA-N 2 1 237.347 1.737 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001577182618 993537532 /nfs/dbraw/zinc/53/75/32/993537532.db2.gz QGWOPYODMRKVCZ-OLZOCXBDSA-N 2 1 226.364 1.223 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001577246467 993557218 /nfs/dbraw/zinc/55/72/18/993557218.db2.gz AEGNFKICNSHVGR-WOPDTQHZSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)[C@@H]1C ZINC001577263658 993568436 /nfs/dbraw/zinc/56/84/36/993568436.db2.gz UHOPAEKCMRLELB-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H]1C[N@@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC001577280108 993576950 /nfs/dbraw/zinc/57/69/50/993576950.db2.gz XOTCNUPECYKTET-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@@H]1CN(C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001577280108 993576975 /nfs/dbraw/zinc/57/69/75/993576975.db2.gz XOTCNUPECYKTET-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@@H]1CN(C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001577280108 993577003 /nfs/dbraw/zinc/57/70/03/993577003.db2.gz XOTCNUPECYKTET-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CCC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001577368963 993621752 /nfs/dbraw/zinc/62/17/52/993621752.db2.gz MQWXCMQWLALHES-RWMBFGLXSA-N 2 1 226.364 1.351 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001577368963 993621761 /nfs/dbraw/zinc/62/17/61/993621761.db2.gz MQWXCMQWLALHES-RWMBFGLXSA-N 2 1 226.364 1.351 20 0 BDADMP CCC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001577368960 993623039 /nfs/dbraw/zinc/62/30/39/993623039.db2.gz MQWXCMQWLALHES-AGIUHOORSA-N 2 1 226.364 1.351 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001577368960 993623049 /nfs/dbraw/zinc/62/30/49/993623049.db2.gz MQWXCMQWLALHES-AGIUHOORSA-N 2 1 226.364 1.351 20 0 BDADMP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC001577387949 993638127 /nfs/dbraw/zinc/63/81/27/993638127.db2.gz CNOHTNBKUHXDFD-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001577401010 993643967 /nfs/dbraw/zinc/64/39/67/993643967.db2.gz UCGXZDSPRSZEHD-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001577510250 993677767 /nfs/dbraw/zinc/67/77/67/993677767.db2.gz HKULHHNMDDQFAJ-SDDRHHMPSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001577535765 993682194 /nfs/dbraw/zinc/68/21/94/993682194.db2.gz HMSKBFBYBWFGKO-IHRRRGAJSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC001577535765 993682201 /nfs/dbraw/zinc/68/22/01/993682201.db2.gz HMSKBFBYBWFGKO-IHRRRGAJSA-N 3 1 239.407 1.578 20 0 BDADMP CCCSC[C@@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001577596741 993690328 /nfs/dbraw/zinc/69/03/28/993690328.db2.gz GOYNIXWYRVBUHK-MXWKQRLJSA-N 2 1 216.394 1.858 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](C)O ZINC000386751860 993694661 /nfs/dbraw/zinc/69/46/61/993694661.db2.gz GSNFNXGFECUSOZ-NDBYEHHHSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC23CCOCC3)CC1 ZINC000386949236 993699497 /nfs/dbraw/zinc/69/94/97/993699497.db2.gz WHHYMCIRTLGAHW-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](CC)CC ZINC000390599912 993801172 /nfs/dbraw/zinc/80/11/72/993801172.db2.gz VQKCXHLYTQBIQH-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)O[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658431 993898254 /nfs/dbraw/zinc/89/82/54/993898254.db2.gz RXAVVATYAOYZHH-JHJVBQTASA-N 2 1 226.364 1.626 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cncnc2)C1 ZINC000394086770 994035520 /nfs/dbraw/zinc/03/55/20/994035520.db2.gz UZQODFODTMPYHD-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cncnc2)C1 ZINC000394086770 994035530 /nfs/dbraw/zinc/03/55/30/994035530.db2.gz UZQODFODTMPYHD-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001336732433 995087138 /nfs/dbraw/zinc/08/71/38/995087138.db2.gz QDHLYWJNGHIKOL-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCOCC2)C1 ZINC001308253877 995602903 /nfs/dbraw/zinc/60/29/03/995602903.db2.gz CTOAKDBNFFSCHZ-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000082991561 349441491 /nfs/dbraw/zinc/44/14/91/349441491.db2.gz HDWCOVATGAXMNH-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000229091885 178001215 /nfs/dbraw/zinc/00/12/15/178001215.db2.gz MYGZDYOEZWMMIO-ONGXEEELSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000229091885 178001216 /nfs/dbraw/zinc/00/12/16/178001216.db2.gz MYGZDYOEZWMMIO-ONGXEEELSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@@H](CCO)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000649869708 398155417 /nfs/dbraw/zinc/15/54/17/398155417.db2.gz KJFLMZISFSGHIS-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](CCO)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000649869708 398155420 /nfs/dbraw/zinc/15/54/20/398155420.db2.gz KJFLMZISFSGHIS-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](CCO)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000649869708 398155423 /nfs/dbraw/zinc/15/54/23/398155423.db2.gz KJFLMZISFSGHIS-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)CCO ZINC000649870472 398157454 /nfs/dbraw/zinc/15/74/54/398157454.db2.gz AGYVTPOOUDXAEH-LBPRGKRZSA-N 2 1 216.369 1.421 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1CC1 ZINC000380077845 398183057 /nfs/dbraw/zinc/18/30/57/398183057.db2.gz ROJYELYAWCSJLO-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC000380077845 398183059 /nfs/dbraw/zinc/18/30/59/398183059.db2.gz ROJYELYAWCSJLO-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC000380077845 398183060 /nfs/dbraw/zinc/18/30/60/398183060.db2.gz ROJYELYAWCSJLO-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH2+]CC2(F)CC2)CCCO1 ZINC000527528601 398171333 /nfs/dbraw/zinc/17/13/33/398171333.db2.gz DWMVVWNWDFYEPU-GFCCVEGCSA-N 2 1 244.354 1.579 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2(F)CC2)CCCO1 ZINC000527528601 398171336 /nfs/dbraw/zinc/17/13/36/398171336.db2.gz DWMVVWNWDFYEPU-GFCCVEGCSA-N 2 1 244.354 1.579 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000379947461 398178009 /nfs/dbraw/zinc/17/80/09/398178009.db2.gz ZGBBNTOHHAIKRM-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000380055514 398182080 /nfs/dbraw/zinc/18/20/80/398182080.db2.gz YEBGHNRLMBDBRU-GFCCVEGCSA-N 2 1 216.369 1.275 20 0 BDADMP CC(C)C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000380055514 398182083 /nfs/dbraw/zinc/18/20/83/398182083.db2.gz YEBGHNRLMBDBRU-GFCCVEGCSA-N 2 1 216.369 1.275 20 0 BDADMP CC(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000380055514 398182087 /nfs/dbraw/zinc/18/20/87/398182087.db2.gz YEBGHNRLMBDBRU-GFCCVEGCSA-N 2 1 216.369 1.275 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCF ZINC000306670668 398162985 /nfs/dbraw/zinc/16/29/85/398162985.db2.gz DCQFCRAIMYOFFY-FGWVZKOKSA-N 2 1 200.301 1.690 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC(C)(C)O)C1 ZINC000258687748 349516851 /nfs/dbraw/zinc/51/68/51/349516851.db2.gz BGZVQQCXSMPPAK-NSHDSACASA-N 2 1 214.353 1.079 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]CC(C)(C)O)C1 ZINC000258687745 349516872 /nfs/dbraw/zinc/51/68/72/349516872.db2.gz BGZVQQCXSMPPAK-LLVKDONJSA-N 2 1 214.353 1.079 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334260153 398194628 /nfs/dbraw/zinc/19/46/28/398194628.db2.gz RKCLILJIDLWLMO-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334260153 398194631 /nfs/dbraw/zinc/19/46/31/398194631.db2.gz RKCLILJIDLWLMO-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)cc[nH+]1 ZINC000365348936 178115209 /nfs/dbraw/zinc/11/52/09/178115209.db2.gz XZIMECOCPSXNQU-ZDUSSCGKSA-N 2 1 249.358 1.283 20 0 BDADMP COCC[N@@H+](C[C@@H](C)[NH3+])C1CCCC1 ZINC000380147140 398185128 /nfs/dbraw/zinc/18/51/28/398185128.db2.gz WYNJASZJYNOCMQ-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP CC(C)[N@H+](C)CC1CCN(C[C@@H](C)[NH3+])CC1 ZINC000649411824 398213612 /nfs/dbraw/zinc/21/36/12/398213612.db2.gz HWZADKRPULUHIY-GFCCVEGCSA-N 2 1 227.396 1.386 20 0 BDADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000649411824 398213613 /nfs/dbraw/zinc/21/36/13/398213613.db2.gz HWZADKRPULUHIY-GFCCVEGCSA-N 3 1 227.396 1.386 20 0 BDADMP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000649411824 398213617 /nfs/dbraw/zinc/21/36/17/398213617.db2.gz HWZADKRPULUHIY-GFCCVEGCSA-N 3 1 227.396 1.386 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000069723944 398213725 /nfs/dbraw/zinc/21/37/25/398213725.db2.gz BKWLRIQURNHCRH-OLZOCXBDSA-N 2 1 226.364 1.474 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CCCC1 ZINC000380986106 398215994 /nfs/dbraw/zinc/21/59/94/398215994.db2.gz DDSZMLCCGCIUEA-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CCCC1 ZINC000380986106 398215997 /nfs/dbraw/zinc/21/59/97/398215997.db2.gz DDSZMLCCGCIUEA-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CCCC1 ZINC000380986106 398215999 /nfs/dbraw/zinc/21/59/99/398215999.db2.gz DDSZMLCCGCIUEA-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000381009208 398218373 /nfs/dbraw/zinc/21/83/73/398218373.db2.gz ROPPZXNOPPVMRA-CMPLNLGQSA-N 2 1 222.336 1.011 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC(C)(C)C1 ZINC000576368568 365579844 /nfs/dbraw/zinc/57/98/44/365579844.db2.gz AZUFOLSIVXYRQC-NWDGAFQWSA-N 2 1 228.380 1.454 20 0 BDADMP Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)nc(C)[nH+]1 ZINC000132346330 178166012 /nfs/dbraw/zinc/16/60/12/178166012.db2.gz VBJMBXIAHIOPEZ-SNVBAGLBSA-N 2 1 234.347 1.988 20 0 BDADMP Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)nc(C)[nH+]1 ZINC000132346330 178166017 /nfs/dbraw/zinc/16/60/17/178166017.db2.gz VBJMBXIAHIOPEZ-SNVBAGLBSA-N 2 1 234.347 1.988 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000386792054 398220195 /nfs/dbraw/zinc/22/01/95/398220195.db2.gz OLMNVACCDIRANX-ZDUSSCGKSA-N 2 1 236.363 1.171 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070169481 398221566 /nfs/dbraw/zinc/22/15/66/398221566.db2.gz UJJNAUUKBRZSSS-LBPRGKRZSA-N 2 1 237.347 1.852 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCn2ccnc2)CCN1C ZINC000162017378 349524645 /nfs/dbraw/zinc/52/46/45/349524645.db2.gz BHRVHZHDOJOYKJ-QWHCGFSZSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCn2ccnc2)CC[N@@H+]1C ZINC000162017378 349524649 /nfs/dbraw/zinc/52/46/49/349524649.db2.gz BHRVHZHDOJOYKJ-QWHCGFSZSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCn2ccnc2)CC[N@H+]1C ZINC000162017378 349524653 /nfs/dbraw/zinc/52/46/53/349524653.db2.gz BHRVHZHDOJOYKJ-QWHCGFSZSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCn2ccnc2)CC[NH+]1C ZINC000162017378 349524656 /nfs/dbraw/zinc/52/46/56/349524656.db2.gz BHRVHZHDOJOYKJ-QWHCGFSZSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCn2ccnc2)CC[NH+]1C ZINC000162017378 349524659 /nfs/dbraw/zinc/52/46/59/349524659.db2.gz BHRVHZHDOJOYKJ-QWHCGFSZSA-N 3 1 236.363 1.298 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCOC2)c2ccccc21 ZINC000252790613 136227192 /nfs/dbraw/zinc/22/71/92/136227192.db2.gz SPKMGYPXRPRFBG-BIMULSAOSA-N 2 1 218.300 1.510 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252783272 136226879 /nfs/dbraw/zinc/22/68/79/136226879.db2.gz SPJDVLDEMCRTLK-LOWVWBTDSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCSC1)[C@H]1CCC[NH2+]1 ZINC000306866861 259310519 /nfs/dbraw/zinc/31/05/19/259310519.db2.gz ONBYDEKPIJKHOZ-IVZWLZJFSA-N 2 1 200.351 1.222 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000647997417 398255331 /nfs/dbraw/zinc/25/53/31/398255331.db2.gz BLKFPIFAXHSUGM-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000188804564 346841744 /nfs/dbraw/zinc/84/17/44/346841744.db2.gz AXFBREMBSZDACD-NWDGAFQWSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000583329756 342696744 /nfs/dbraw/zinc/69/67/44/342696744.db2.gz ANYQKHIJAVRJHR-MFKMUULPSA-N 2 1 244.342 1.875 20 0 BDADMP C[NH+](C)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000182676971 538963838 /nfs/dbraw/zinc/96/38/38/538963838.db2.gz PKSGJPPVNBBCGS-UHFFFAOYSA-N 2 1 236.363 1.299 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000126295622 398281120 /nfs/dbraw/zinc/28/11/20/398281120.db2.gz NAWATUIMPMSIED-XQQFMLRXSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1cc(N2CC[N@H+](C)C[C@@H]2C(C)C)nc(C)n1 ZINC000189423202 538982740 /nfs/dbraw/zinc/98/27/40/538982740.db2.gz MJJJLVFWQFJAKR-CYBMUJFWSA-N 2 1 248.374 1.870 20 0 BDADMP Cc1cc(N(CC[NH+](C)C)C(C)C)nc(C)[nH+]1 ZINC000193377332 539005322 /nfs/dbraw/zinc/00/53/22/539005322.db2.gz BYJBRYAUZVSDIF-UHFFFAOYSA-N 2 1 236.363 1.870 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000381746610 539006659 /nfs/dbraw/zinc/00/66/59/539006659.db2.gz QEDYHUPBUIEGOW-SNVBAGLBSA-N 2 1 224.352 1.711 20 0 BDADMP Cc1nc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000390561481 539026379 /nfs/dbraw/zinc/02/63/79/539026379.db2.gz SCQOZAJEBOTWEY-QWRGUYRKSA-N 2 1 237.372 1.145 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632694 136241618 /nfs/dbraw/zinc/24/16/18/136241618.db2.gz IONBJLKQMMHLOA-QWHCGFSZSA-N 2 1 248.374 1.540 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632694 136241619 /nfs/dbraw/zinc/24/16/19/136241619.db2.gz IONBJLKQMMHLOA-QWHCGFSZSA-N 2 1 248.374 1.540 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632694 136241620 /nfs/dbraw/zinc/24/16/20/136241620.db2.gz IONBJLKQMMHLOA-QWHCGFSZSA-N 2 1 248.374 1.540 20 0 BDADMP CC[N@H+]1CCCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649505490 398300150 /nfs/dbraw/zinc/30/01/50/398300150.db2.gz MHDKVQYZOJOYCV-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CCCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649505490 398300151 /nfs/dbraw/zinc/30/01/51/398300151.db2.gz MHDKVQYZOJOYCV-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CCCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649505490 398300153 /nfs/dbraw/zinc/30/01/53/398300153.db2.gz MHDKVQYZOJOYCV-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000037175250 398304710 /nfs/dbraw/zinc/30/47/10/398304710.db2.gz BHQASQCQSITTFV-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000309779314 342895754 /nfs/dbraw/zinc/89/57/54/342895754.db2.gz MMVASZNSTJYOQI-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000309779311 342895776 /nfs/dbraw/zinc/89/57/76/342895776.db2.gz MMVASZNSTJYOQI-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000035603680 342889881 /nfs/dbraw/zinc/88/98/81/342889881.db2.gz AGSIQMISWUEVJD-CYBMUJFWSA-N 2 1 248.370 1.621 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351482150 136246196 /nfs/dbraw/zinc/24/61/96/136246196.db2.gz ZEYLLXFXAUNSGR-UBHSHLNASA-N 2 1 231.343 1.438 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000401721997 342919099 /nfs/dbraw/zinc/91/90/99/342919099.db2.gz BLPQHDSEMSFJSS-UHFFFAOYSA-N 2 1 233.319 1.092 20 0 BDADMP C(C1CC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916578 398335258 /nfs/dbraw/zinc/33/52/58/398335258.db2.gz UEOSLVOQZQCYDK-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP COc1cc(C)nc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000252791924 536691732 /nfs/dbraw/zinc/69/17/32/536691732.db2.gz URUAPNXGSJXXOU-NWDGAFQWSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)nc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000252791924 536691736 /nfs/dbraw/zinc/69/17/36/536691736.db2.gz URUAPNXGSJXXOU-NWDGAFQWSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000252791924 536691742 /nfs/dbraw/zinc/69/17/42/536691742.db2.gz URUAPNXGSJXXOU-NWDGAFQWSA-N 2 1 249.358 1.568 20 0 BDADMP CC(C)(C)CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313344725 259333538 /nfs/dbraw/zinc/33/35/38/259333538.db2.gz QFCRRPQUYRPFHN-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000678073239 488191200 /nfs/dbraw/zinc/19/12/00/488191200.db2.gz OGYTXIUZDUWFEF-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000678073239 488191204 /nfs/dbraw/zinc/19/12/04/488191204.db2.gz OGYTXIUZDUWFEF-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000020130714 342970928 /nfs/dbraw/zinc/97/09/28/342970928.db2.gz QNKYPDMZLHMYDB-UHFFFAOYSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000351856753 136258055 /nfs/dbraw/zinc/25/80/55/136258055.db2.gz WATJLUKKLBQJAV-STQMWFEESA-N 2 1 247.386 1.922 20 0 BDADMP CCc1cc(NC[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000307765832 529557086 /nfs/dbraw/zinc/55/70/86/529557086.db2.gz AABNOPVRWGIUKW-CYBMUJFWSA-N 2 1 235.331 1.387 20 0 BDADMP CCc1cc(NC[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000307765832 529557088 /nfs/dbraw/zinc/55/70/88/529557088.db2.gz AABNOPVRWGIUKW-CYBMUJFWSA-N 2 1 235.331 1.387 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000602719992 349712544 /nfs/dbraw/zinc/71/25/44/349712544.db2.gz VPZIVCVTHGFNGK-NNYUYHANSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000602719992 349712547 /nfs/dbraw/zinc/71/25/47/349712547.db2.gz VPZIVCVTHGFNGK-NNYUYHANSA-N 2 1 240.347 1.010 20 0 BDADMP COCCC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211942389 343017401 /nfs/dbraw/zinc/01/74/01/343017401.db2.gz QNGGONWCANOTOQ-UHFFFAOYSA-N 2 1 248.370 1.801 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCCCCC1 ZINC000221951683 349789014 /nfs/dbraw/zinc/78/90/14/349789014.db2.gz UBSHZNOXLDCCHV-CYBMUJFWSA-N 2 1 225.380 1.202 20 0 BDADMP CC[C@@H]([NH2+]CCOCC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000562959522 323035335 /nfs/dbraw/zinc/03/53/35/323035335.db2.gz FAMIYSRHTZWVND-KGLIPLIRSA-N 2 1 240.391 1.923 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000309976930 343124331 /nfs/dbraw/zinc/12/43/31/343124331.db2.gz UCESTZQMBBOTJC-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000309976930 343124333 /nfs/dbraw/zinc/12/43/33/343124333.db2.gz UCESTZQMBBOTJC-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H](O)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000134998317 343192232 /nfs/dbraw/zinc/19/22/32/343192232.db2.gz QMUJGRKEIXZUOD-JTQLQIEISA-N 2 1 223.320 1.008 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134826042 343195417 /nfs/dbraw/zinc/19/54/17/343195417.db2.gz VJBXLUJAUVJUQZ-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)O1 ZINC000634688443 343247048 /nfs/dbraw/zinc/24/70/48/343247048.db2.gz SRJYRUJZUFAPTN-RYUDHWBXSA-N 2 1 224.348 1.382 20 0 BDADMP Cc1nccn1CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000348750739 136296716 /nfs/dbraw/zinc/29/67/16/136296716.db2.gz PNKWLWTYJHZBCE-MJBXVCDLSA-N 2 1 248.374 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000348750739 136296717 /nfs/dbraw/zinc/29/67/17/136296717.db2.gz PNKWLWTYJHZBCE-MJBXVCDLSA-N 3 1 248.374 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000348750739 136296718 /nfs/dbraw/zinc/29/67/18/136296718.db2.gz PNKWLWTYJHZBCE-MJBXVCDLSA-N 3 1 248.374 1.251 20 0 BDADMP Cc1nccn1CCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000348754987 136297926 /nfs/dbraw/zinc/29/79/26/136297926.db2.gz DTPNKGQRFFTKLJ-YPMHNXCESA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000348754987 136297927 /nfs/dbraw/zinc/29/79/27/136297927.db2.gz DTPNKGQRFFTKLJ-YPMHNXCESA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000348754987 136297928 /nfs/dbraw/zinc/29/79/28/136297928.db2.gz DTPNKGQRFFTKLJ-YPMHNXCESA-N 3 1 236.363 1.251 20 0 BDADMP CN1CC[N@@H+](CCC[NH3+])Cc2ccccc21 ZINC000335629599 136300131 /nfs/dbraw/zinc/30/01/31/136300131.db2.gz YQMQMUDBYGIPKY-UHFFFAOYSA-N 2 1 219.332 1.287 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000335641596 136308502 /nfs/dbraw/zinc/30/85/02/136308502.db2.gz UFVFNBPLLQAMDR-KCJUWKMLSA-N 2 1 239.388 1.990 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccnn1C ZINC000335694917 136326601 /nfs/dbraw/zinc/32/66/01/136326601.db2.gz IZWZYQAAIFBKRS-YPMHNXCESA-N 2 1 236.363 1.192 20 0 BDADMP C[NH2+][C@@H](C)c1cn(CCCn2cc[nH+]c2C)nn1 ZINC000641150196 362240426 /nfs/dbraw/zinc/24/04/26/362240426.db2.gz ZFBWMTIOOOIQLK-JTQLQIEISA-N 2 1 248.334 1.154 20 0 BDADMP Cc1[nH]c(Cn2cc([C@@H]([NH3+])C(C)C)nn2)[nH+]c1C ZINC000641156846 362243392 /nfs/dbraw/zinc/24/33/92/362243392.db2.gz WWLNUQNGTYHQMW-LBPRGKRZSA-N 2 1 248.334 1.322 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccn2)[C@@H](C)C1 ZINC000247980713 136373369 /nfs/dbraw/zinc/37/33/69/136373369.db2.gz MPLZFJZKKGQBPV-DZGCQCFKSA-N 2 1 247.386 1.944 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000310533192 343527913 /nfs/dbraw/zinc/52/79/13/343527913.db2.gz ONNNGKYBOGMUMO-AAVRWANBSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cn1cccn1 ZINC000049330376 343595984 /nfs/dbraw/zinc/59/59/84/343595984.db2.gz NBRVBFUPBPKUQA-LLVKDONJSA-N 2 1 233.319 1.066 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CC(C)(C)O ZINC000086274666 343616775 /nfs/dbraw/zinc/61/67/75/343616775.db2.gz QICBRFIMYOXNPJ-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000309064537 349829768 /nfs/dbraw/zinc/82/97/68/349829768.db2.gz YOJJJLQBFCOQFU-MNOVXSKESA-N 2 1 212.337 1.238 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000309064537 349829770 /nfs/dbraw/zinc/82/97/70/349829770.db2.gz YOJJJLQBFCOQFU-MNOVXSKESA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]([NH2+]CC1(O)CCC1)C1=CC[N@@H+](C)CC1 ZINC000577056846 365796734 /nfs/dbraw/zinc/79/67/34/365796734.db2.gz XTGWWIVUPXUYBS-LLVKDONJSA-N 2 1 224.348 1.141 20 0 BDADMP Cc1cc(C[NH2+]CCC[NH+](C)C)ccn1 ZINC000234219105 343687405 /nfs/dbraw/zinc/68/74/05/343687405.db2.gz NXVDDHZCXMVSIY-UHFFFAOYSA-N 2 1 207.321 1.431 20 0 BDADMP Cc1cc(N(C)CCC[NH+](C)C)nc(C)[nH+]1 ZINC000189577708 346967085 /nfs/dbraw/zinc/96/70/85/346967085.db2.gz AEMIFCATYWMXSC-UHFFFAOYSA-N 2 1 222.336 1.481 20 0 BDADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000576506723 343751646 /nfs/dbraw/zinc/75/16/46/343751646.db2.gz DNNKIRQEKLBKEF-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000576506723 343751649 /nfs/dbraw/zinc/75/16/49/343751649.db2.gz DNNKIRQEKLBKEF-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000576506723 343751651 /nfs/dbraw/zinc/75/16/51/343751651.db2.gz DNNKIRQEKLBKEF-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP CC[C@@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000576636138 343754835 /nfs/dbraw/zinc/75/48/35/343754835.db2.gz PMOMFCLLIDIDFC-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000187879726 259370424 /nfs/dbraw/zinc/37/04/24/259370424.db2.gz QKULVUDYRQDTFB-CYDGBPFRSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000187879726 259370426 /nfs/dbraw/zinc/37/04/26/259370426.db2.gz QKULVUDYRQDTFB-CYDGBPFRSA-N 2 1 226.364 1.362 20 0 BDADMP c1cncc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)c1 ZINC000093224274 343785070 /nfs/dbraw/zinc/78/50/70/343785070.db2.gz KZFZKZBTLDRSOP-AWEZNQCLSA-N 2 1 231.343 1.971 20 0 BDADMP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CC1 ZINC000069238270 343791308 /nfs/dbraw/zinc/79/13/08/343791308.db2.gz USIVMILDNMTAEX-UHFFFAOYSA-N 2 1 238.335 1.495 20 0 BDADMP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CC1 ZINC000069238270 343791312 /nfs/dbraw/zinc/79/13/12/343791312.db2.gz USIVMILDNMTAEX-UHFFFAOYSA-N 2 1 238.335 1.495 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CCCC1 ZINC000381085086 343945173 /nfs/dbraw/zinc/94/51/73/343945173.db2.gz SOXDMGXZWWIXMS-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CCCC1 ZINC000381085086 343945176 /nfs/dbraw/zinc/94/51/76/343945176.db2.gz SOXDMGXZWWIXMS-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)C1CCCC1 ZINC000381085086 343945179 /nfs/dbraw/zinc/94/51/79/343945179.db2.gz SOXDMGXZWWIXMS-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C1CCCC1 ZINC000381085086 343945181 /nfs/dbraw/zinc/94/51/81/343945181.db2.gz SOXDMGXZWWIXMS-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000393733536 343922647 /nfs/dbraw/zinc/92/26/47/343922647.db2.gz LWXQKNVXHLSJFA-RYUDHWBXSA-N 2 1 216.369 1.275 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000393733536 343922648 /nfs/dbraw/zinc/92/26/48/343922648.db2.gz LWXQKNVXHLSJFA-RYUDHWBXSA-N 2 1 216.369 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)C ZINC000393733536 343922651 /nfs/dbraw/zinc/92/26/51/343922651.db2.gz LWXQKNVXHLSJFA-RYUDHWBXSA-N 2 1 216.369 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000393733536 343922653 /nfs/dbraw/zinc/92/26/53/343922653.db2.gz LWXQKNVXHLSJFA-RYUDHWBXSA-N 2 1 216.369 1.275 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000570737117 323068892 /nfs/dbraw/zinc/06/88/92/323068892.db2.gz RFJULMHJLOHSNZ-BXUZGUMPSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]([C@H](C)C1CC1)C1CC1 ZINC000570737117 323068893 /nfs/dbraw/zinc/06/88/93/323068893.db2.gz RFJULMHJLOHSNZ-BXUZGUMPSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]([C@H](C)C1CC1)C1CC1 ZINC000570737117 323068894 /nfs/dbraw/zinc/06/88/94/323068894.db2.gz RFJULMHJLOHSNZ-BXUZGUMPSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000570737117 323068895 /nfs/dbraw/zinc/06/88/95/323068895.db2.gz RFJULMHJLOHSNZ-BXUZGUMPSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000570737117 323068896 /nfs/dbraw/zinc/06/88/96/323068896.db2.gz RFJULMHJLOHSNZ-BXUZGUMPSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000131423757 344231166 /nfs/dbraw/zinc/23/11/66/344231166.db2.gz OAPNRKWKLKWDAX-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000131423757 344231168 /nfs/dbraw/zinc/23/11/68/344231168.db2.gz OAPNRKWKLKWDAX-KBPBESRZSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000131423757 344231170 /nfs/dbraw/zinc/23/11/70/344231170.db2.gz OAPNRKWKLKWDAX-KBPBESRZSA-N 3 1 241.423 1.648 20 0 BDADMP COC(=O)CCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000600712289 344361524 /nfs/dbraw/zinc/36/15/24/344361524.db2.gz WIEBZHZTBBTWHT-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000600712289 344361526 /nfs/dbraw/zinc/36/15/26/344361526.db2.gz WIEBZHZTBBTWHT-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000385194494 344371222 /nfs/dbraw/zinc/37/12/22/344371222.db2.gz OBMZDQKEMXVHKT-KXUCPTDWSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000385194494 344371224 /nfs/dbraw/zinc/37/12/24/344371224.db2.gz OBMZDQKEMXVHKT-KXUCPTDWSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000385194495 344371560 /nfs/dbraw/zinc/37/15/60/344371560.db2.gz OBMZDQKEMXVHKT-OPRDCNLKSA-N 2 1 218.291 1.843 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000385194495 344371563 /nfs/dbraw/zinc/37/15/63/344371563.db2.gz OBMZDQKEMXVHKT-OPRDCNLKSA-N 2 1 218.291 1.843 20 0 BDADMP CN(C)c1nccc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000085431559 344532044 /nfs/dbraw/zinc/53/20/44/344532044.db2.gz CFJKRGRZTCGQLH-JTQLQIEISA-N 2 1 247.346 1.191 20 0 BDADMP COC(=O)CCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152449792 344568433 /nfs/dbraw/zinc/56/84/33/344568433.db2.gz SAEBZPZWYBKAIS-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP COC(=O)CCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152449792 344568435 /nfs/dbraw/zinc/56/84/35/344568435.db2.gz SAEBZPZWYBKAIS-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP COC(=O)CCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152449792 344568439 /nfs/dbraw/zinc/56/84/39/344568439.db2.gz SAEBZPZWYBKAIS-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000158323172 344596863 /nfs/dbraw/zinc/59/68/63/344596863.db2.gz LHBQRDROSBITGO-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000158337200 344604090 /nfs/dbraw/zinc/60/40/90/344604090.db2.gz ZTARFLDYVOHEEG-CMPLNLGQSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000158337200 344604091 /nfs/dbraw/zinc/60/40/91/344604091.db2.gz ZTARFLDYVOHEEG-CMPLNLGQSA-N 2 1 235.331 1.259 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)[C@H]1CC1(C)C ZINC000574288784 344732213 /nfs/dbraw/zinc/73/22/13/344732213.db2.gz UDHOXMHPJQYZFP-UPJWGTAASA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@@H+](CCO)CC[C@H]1CCCC[NH+]1C ZINC000049754618 344687981 /nfs/dbraw/zinc/68/79/81/344687981.db2.gz FKQVRLQBOKXBES-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CCO)CC[C@H]1CCCC[N@@H+]1C ZINC000049754618 344687985 /nfs/dbraw/zinc/68/79/85/344687985.db2.gz FKQVRLQBOKXBES-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CCO)CC[C@H]1CCCC[N@H+]1C ZINC000049754618 344687988 /nfs/dbraw/zinc/68/79/88/344687988.db2.gz FKQVRLQBOKXBES-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493535104 530056825 /nfs/dbraw/zinc/05/68/25/530056825.db2.gz YZQSQNYVZDASFK-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)O)[C@H](C)C1 ZINC000079462630 344976598 /nfs/dbraw/zinc/97/65/98/344976598.db2.gz COWUYRKVGNKKMN-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccoc1 ZINC000579221109 344943746 /nfs/dbraw/zinc/94/37/46/344943746.db2.gz AHHFTTDSPBSBSN-NHCYSSNCSA-N 2 1 208.305 1.928 20 0 BDADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154261469 345022766 /nfs/dbraw/zinc/02/27/66/345022766.db2.gz WDUFQMYNGHBXIP-IUODEOHRSA-N 2 1 248.370 1.494 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156065314 345122676 /nfs/dbraw/zinc/12/26/76/345122676.db2.gz DOOALPWVSSBPNZ-HZSPNIEDSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156065314 345122677 /nfs/dbraw/zinc/12/26/77/345122677.db2.gz DOOALPWVSSBPNZ-HZSPNIEDSA-N 3 1 239.407 1.543 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156065314 345122679 /nfs/dbraw/zinc/12/26/79/345122679.db2.gz DOOALPWVSSBPNZ-HZSPNIEDSA-N 3 1 239.407 1.543 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000634991597 345178298 /nfs/dbraw/zinc/17/82/98/345178298.db2.gz KHRBBZXVFYFJDK-REWJHTLYSA-N 3 1 239.407 1.277 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000634993482 345190626 /nfs/dbraw/zinc/19/06/26/345190626.db2.gz WBBRXVGBVHKRLH-RAFNIBEQSA-N 2 1 249.402 1.155 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000156572788 345181267 /nfs/dbraw/zinc/18/12/67/345181267.db2.gz BMGOUZFZERTTDL-KGLIPLIRSA-N 2 1 241.423 1.789 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000156572788 345181272 /nfs/dbraw/zinc/18/12/72/345181272.db2.gz BMGOUZFZERTTDL-KGLIPLIRSA-N 2 1 241.423 1.789 20 0 BDADMP C([N@H+]1CCC[C@H]2COCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634994789 345182384 /nfs/dbraw/zinc/18/23/84/345182384.db2.gz MSLIWDIFYUGIRE-YIFLHPOLSA-N 2 1 236.359 1.239 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000634995962 345186092 /nfs/dbraw/zinc/18/60/92/345186092.db2.gz VBTGIQHKOPNEIT-GRYCIOLGSA-N 3 1 213.369 1.077 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000634995883 345186173 /nfs/dbraw/zinc/18/61/73/345186173.db2.gz RTUXTBNTRHENRQ-OLZOCXBDSA-N 3 1 239.407 1.482 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634996663 345191412 /nfs/dbraw/zinc/19/14/12/345191412.db2.gz QHRQMASDEAWYNQ-UPJWGTAASA-N 3 1 227.396 1.134 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634996663 345191415 /nfs/dbraw/zinc/19/14/15/345191415.db2.gz QHRQMASDEAWYNQ-UPJWGTAASA-N 3 1 227.396 1.134 20 0 BDADMP c1ccc2c(c1)CC[NH+](CC13CC(C1)C[NH2+]3)CC2 ZINC000634992763 345187944 /nfs/dbraw/zinc/18/79/44/345187944.db2.gz ADPKIEBGRMTMNX-UHFFFAOYSA-N 2 1 242.366 1.839 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000634997048 345193874 /nfs/dbraw/zinc/19/38/74/345193874.db2.gz BQYQPFLMNWUMCI-NSHDSACASA-N 2 1 236.363 1.389 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCCc2n[nH]cc2C1 ZINC000634997048 345193876 /nfs/dbraw/zinc/19/38/76/345193876.db2.gz BQYQPFLMNWUMCI-NSHDSACASA-N 2 1 236.363 1.389 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCCC[C@@H](N)C2)CC[NH2+]1 ZINC000634997207 345194808 /nfs/dbraw/zinc/19/48/08/345194808.db2.gz GDRBQMWEBXMWES-HZSPNIEDSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@@H](CN2CCCCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000634997207 345194809 /nfs/dbraw/zinc/19/48/09/345194809.db2.gz GDRBQMWEBXMWES-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000635003515 345206160 /nfs/dbraw/zinc/20/61/60/345206160.db2.gz DNZAVBPGNZRGEJ-FHUSYTEZSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000158586987 345353015 /nfs/dbraw/zinc/35/30/15/345353015.db2.gz MRNQIJPBLXSYQZ-SNVBAGLBSA-N 2 1 214.378 1.423 20 0 BDADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000090535650 345573312 /nfs/dbraw/zinc/57/33/12/345573312.db2.gz VIOAAUAVDCSPGD-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccncc1N ZINC000641701243 362614145 /nfs/dbraw/zinc/61/41/45/362614145.db2.gz QNZRECJXRPGGLS-UHFFFAOYSA-N 2 1 236.363 1.341 20 0 BDADMP C[C@H](c1ccncc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000082687089 345679881 /nfs/dbraw/zinc/67/98/81/345679881.db2.gz GQAUYCCWDWZNAR-RAIGVLPGSA-N 2 1 217.316 1.294 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)OCC1CC1 ZINC000428029919 345704376 /nfs/dbraw/zinc/70/43/76/345704376.db2.gz GBUCCUOGHLHEAY-CHWSQXEVSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)OCC1CC1 ZINC000428029919 345704380 /nfs/dbraw/zinc/70/43/80/345704380.db2.gz GBUCCUOGHLHEAY-CHWSQXEVSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000145211579 345710472 /nfs/dbraw/zinc/71/04/72/345710472.db2.gz XQIHHAQJBDEVHF-AWEZNQCLSA-N 2 1 239.407 1.495 20 0 BDADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000159979632 345768260 /nfs/dbraw/zinc/76/82/60/345768260.db2.gz KIQNOLREJAFVAF-VXGBXAGGSA-N 2 1 224.348 1.118 20 0 BDADMP Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418991986 192091498 /nfs/dbraw/zinc/09/14/98/192091498.db2.gz FJZZYBHQENVMTH-QWHCGFSZSA-N 2 1 249.358 1.281 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000684372538 488302222 /nfs/dbraw/zinc/30/22/22/488302222.db2.gz QYFWMVAMCNIXIM-MGPQQGTHSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccncc2N)CC1 ZINC000641745970 362667302 /nfs/dbraw/zinc/66/73/02/362667302.db2.gz JBOSWFRYPYFFDQ-UHFFFAOYSA-N 2 1 232.331 1.015 20 0 BDADMP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000300369672 346433513 /nfs/dbraw/zinc/43/35/13/346433513.db2.gz ZRUHHLMXGSBVML-GRYCIOLGSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000300369672 346433515 /nfs/dbraw/zinc/43/35/15/346433515.db2.gz ZRUHHLMXGSBVML-GRYCIOLGSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000641797255 362743361 /nfs/dbraw/zinc/74/33/61/362743361.db2.gz ZMKOBKFDTWVPOF-NEPJUHHUSA-N 2 1 236.363 1.022 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000037859928 179092439 /nfs/dbraw/zinc/09/24/39/179092439.db2.gz ZPTDGSQXHWYLSQ-OAHLLOKOSA-N 2 1 248.370 1.541 20 0 BDADMP Cn1cncc1CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000641799518 362748432 /nfs/dbraw/zinc/74/84/32/362748432.db2.gz QTDMCLWFQCTBTN-GFCCVEGCSA-N 2 1 236.363 1.023 20 0 BDADMP Cn1cncc1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641797965 362738732 /nfs/dbraw/zinc/73/87/32/362738732.db2.gz BCBQHSBRVPVGEZ-AWEZNQCLSA-N 2 1 248.374 1.038 20 0 BDADMP Cc1nc(CNCC[N@H+](C)C(C)C)[nH]c1C ZINC000563438551 323125643 /nfs/dbraw/zinc/12/56/43/323125643.db2.gz FFKSHUFFMKOVLT-UHFFFAOYSA-N 2 1 224.352 1.456 20 0 BDADMP CCn1ccnc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170793 349967226 /nfs/dbraw/zinc/96/72/26/349967226.db2.gz RPKYZKUUKVDACI-LBPRGKRZSA-N 2 1 236.363 1.464 20 0 BDADMP CCCCCNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802767 362760120 /nfs/dbraw/zinc/76/01/20/362760120.db2.gz OMUMCECGVQEHKJ-WDEREUQCSA-N 2 1 241.379 1.008 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187353784 346570658 /nfs/dbraw/zinc/57/06/58/346570658.db2.gz CPTQOTDBTDMPPK-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000053173554 346585080 /nfs/dbraw/zinc/58/50/80/346585080.db2.gz ZZWVQIIAXCRITD-QJPTWQEYSA-N 2 1 212.337 1.238 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000053173554 346585083 /nfs/dbraw/zinc/58/50/83/346585083.db2.gz ZZWVQIIAXCRITD-QJPTWQEYSA-N 2 1 212.337 1.238 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H](C)COC ZINC000187646151 346594042 /nfs/dbraw/zinc/59/40/42/346594042.db2.gz RLYDQXSYGBAYHX-NWDGAFQWSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@H](C[NH2+]C[C@@H](C)COC)[NH+]1CCCC1 ZINC000187656563 346595918 /nfs/dbraw/zinc/59/59/18/346595918.db2.gz BDNGAVPFGCJPQH-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1cccc(OCC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000042896931 179165589 /nfs/dbraw/zinc/16/55/89/179165589.db2.gz HZWVEZZJQQWAOQ-CYBMUJFWSA-N 2 1 234.343 1.654 20 0 BDADMP CC[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000309664254 347130882 /nfs/dbraw/zinc/13/08/82/347130882.db2.gz SOMWBKSAYYXFIE-AAEUAGOBSA-N 2 1 225.380 1.010 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334123 347226235 /nfs/dbraw/zinc/22/62/35/347226235.db2.gz IRQAYZHJKYWRBA-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP CCSCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334912 347227413 /nfs/dbraw/zinc/22/74/13/347227413.db2.gz ONRFIUSZZJFEGQ-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CCSCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334912 347227416 /nfs/dbraw/zinc/22/74/16/347227416.db2.gz ONRFIUSZZJFEGQ-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000300943335 347285755 /nfs/dbraw/zinc/28/57/55/347285755.db2.gz GLIYFPBSLLJYOE-NSHDSACASA-N 2 1 228.380 1.874 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(C)C)CC1 ZINC000310336477 347266333 /nfs/dbraw/zinc/26/63/33/347266333.db2.gz CTUDUULIBZDTSY-AWEZNQCLSA-N 2 1 242.407 1.667 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000310331598 347266366 /nfs/dbraw/zinc/26/63/66/347266366.db2.gz KEBUNFJGQSXZFA-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310331598 347266371 /nfs/dbraw/zinc/26/63/71/347266371.db2.gz KEBUNFJGQSXZFA-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310331598 347266374 /nfs/dbraw/zinc/26/63/74/347266374.db2.gz KEBUNFJGQSXZFA-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310331598 347266377 /nfs/dbraw/zinc/26/63/77/347266377.db2.gz KEBUNFJGQSXZFA-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310331598 347266381 /nfs/dbraw/zinc/26/63/81/347266381.db2.gz KEBUNFJGQSXZFA-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000382384086 347302250 /nfs/dbraw/zinc/30/22/50/347302250.db2.gz KWUKGRHOVGOBNB-RDBSUJKOSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccn1 ZINC000382576412 347366754 /nfs/dbraw/zinc/36/67/54/347366754.db2.gz FWKCJRSLPATIAS-NSHDSACASA-N 2 1 219.332 1.874 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCO2)CC1(C)C ZINC000251114443 362838211 /nfs/dbraw/zinc/83/82/11/362838211.db2.gz CWIZESWBRKHWBX-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000392254312 347513892 /nfs/dbraw/zinc/51/38/92/347513892.db2.gz WIXGFFHZORVQTG-CYBMUJFWSA-N 2 1 238.375 1.796 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000392254315 347514172 /nfs/dbraw/zinc/51/41/72/347514172.db2.gz WIXGFFHZORVQTG-ZDUSSCGKSA-N 2 1 238.375 1.796 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000149793405 347521792 /nfs/dbraw/zinc/52/17/92/347521792.db2.gz QHFGHUGEYDOZRJ-UPJWGTAASA-N 2 1 228.380 1.859 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000577231802 365893324 /nfs/dbraw/zinc/89/33/24/365893324.db2.gz RCVBLLSWSCTAOV-STQMWFEESA-N 2 1 239.407 1.720 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1=CCCC1)C1CC1 ZINC000380136284 365907100 /nfs/dbraw/zinc/90/71/00/365907100.db2.gz PHOVWZKRWBBCEK-AWEZNQCLSA-N 2 1 238.375 1.532 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1=CCCC1)C1CC1 ZINC000380136284 365907107 /nfs/dbraw/zinc/90/71/07/365907107.db2.gz PHOVWZKRWBBCEK-AWEZNQCLSA-N 2 1 238.375 1.532 20 0 BDADMP C1=C(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)COCC1 ZINC000176828700 365909143 /nfs/dbraw/zinc/90/91/43/365909143.db2.gz NEQBUNGWYHEYRY-GFCCVEGCSA-N 2 1 236.359 1.407 20 0 BDADMP CN1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000202372586 348016110 /nfs/dbraw/zinc/01/61/10/348016110.db2.gz KWHGIYMRQBWGIB-UHFFFAOYSA-N 2 1 211.696 1.487 20 0 BDADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000563729603 323176281 /nfs/dbraw/zinc/17/62/81/323176281.db2.gz FGQBEUZOYCBNNL-QWRGUYRKSA-N 2 1 236.363 1.633 20 0 BDADMP CCC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669381992 538002242 /nfs/dbraw/zinc/00/22/42/538002242.db2.gz CWZOHZYLUMYOSC-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCCC[C@H]2CC[NH3+])O1 ZINC000251604751 362889042 /nfs/dbraw/zinc/88/90/42/362889042.db2.gz CUSAWALKDKAXSJ-AGIUHOORSA-N 2 1 226.364 1.757 20 0 BDADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491356 362915572 /nfs/dbraw/zinc/91/55/72/362915572.db2.gz QYDUMFDGFROAFG-GFCCVEGCSA-N 2 1 228.380 1.874 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)CC1(C)C ZINC000623497130 362920668 /nfs/dbraw/zinc/92/06/68/362920668.db2.gz YEHJCAWXROBTPW-SRVKXCTJSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCC[NH3+] ZINC000122925770 490184358 /nfs/dbraw/zinc/18/43/58/490184358.db2.gz XATOUXIMCOFGFF-NSHDSACASA-N 2 1 222.332 1.604 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000596655492 348600075 /nfs/dbraw/zinc/60/00/75/348600075.db2.gz WBNHYWZQNOOEDL-WHOHXGKFSA-N 2 1 242.363 1.162 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C[C@@H]1C ZINC000082846441 348837599 /nfs/dbraw/zinc/83/75/99/348837599.db2.gz GFBLZZVYATVVFG-VOAKCMCISA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623507568 362931493 /nfs/dbraw/zinc/93/14/93/362931493.db2.gz QPTDUJDPJINFLC-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([NH3+])C1 ZINC000420123910 192168705 /nfs/dbraw/zinc/16/87/05/192168705.db2.gz RMTZAJAUQXWUED-JTQLQIEISA-N 2 1 249.314 1.186 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243742 323203489 /nfs/dbraw/zinc/20/34/89/323203489.db2.gz UDTXPWJCQGCZNA-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccsc2)CC[C@H]1[NH3+] ZINC000251844781 362936636 /nfs/dbraw/zinc/93/66/36/362936636.db2.gz QVXZTAKFVFRTKU-GXSJLCMTSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1[NH3+] ZINC000251844781 362936639 /nfs/dbraw/zinc/93/66/39/362936639.db2.gz QVXZTAKFVFRTKU-GXSJLCMTSA-N 2 1 210.346 1.917 20 0 BDADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)on1 ZINC000599442154 349178462 /nfs/dbraw/zinc/17/84/62/349178462.db2.gz WPBZQFSUCBSFDA-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250521230 349175114 /nfs/dbraw/zinc/17/51/14/349175114.db2.gz STRXLTKSFOSKMO-NEPJUHHUSA-N 2 1 228.405 1.812 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000252745303 349208875 /nfs/dbraw/zinc/20/88/75/349208875.db2.gz PEVNENPVNFGETM-YNEHKIRRSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252113599 349196809 /nfs/dbraw/zinc/19/68/09/349196809.db2.gz JWSPZLUWFLHFSD-GMTAPVOTSA-N 2 1 220.320 1.207 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252113599 349196812 /nfs/dbraw/zinc/19/68/12/349196812.db2.gz JWSPZLUWFLHFSD-GMTAPVOTSA-N 2 1 220.320 1.207 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000388592132 349204681 /nfs/dbraw/zinc/20/46/81/349204681.db2.gz MCOIMCSASINYPN-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC[NH3+])CC1 ZINC000521406075 259408561 /nfs/dbraw/zinc/40/85/61/259408561.db2.gz FIWQPAJYZSNSSO-UHFFFAOYSA-N 3 1 227.396 1.387 20 0 BDADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000309045595 349402311 /nfs/dbraw/zinc/40/23/11/349402311.db2.gz OIRYCBVMCXLEEA-VXGBXAGGSA-N 2 1 212.337 1.238 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422701088 192434850 /nfs/dbraw/zinc/43/48/50/192434850.db2.gz BHGGXULCOVXGGB-IHRRRGAJSA-N 2 1 242.407 1.904 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000218466904 350094438 /nfs/dbraw/zinc/09/44/38/350094438.db2.gz LEQPRSXEEDVMLO-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)ccn1 ZINC000623529982 362949589 /nfs/dbraw/zinc/94/95/89/362949589.db2.gz IAZNLORDCFOQNJ-NSHDSACASA-N 2 1 221.348 1.677 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132418100 191032162 /nfs/dbraw/zinc/03/21/62/191032162.db2.gz NZQAICPEASKCPZ-FDYHWXHSSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CCOCC1 ZINC000422734437 192447945 /nfs/dbraw/zinc/44/79/45/192447945.db2.gz SIBJJXOYRIVHCC-WCQYABFASA-N 2 1 226.364 1.391 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000336736721 180152929 /nfs/dbraw/zinc/15/29/29/180152929.db2.gz IYTBSQCBMKHQBO-SNVBAGLBSA-N 2 1 222.336 1.072 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154367162 191077080 /nfs/dbraw/zinc/07/70/80/191077080.db2.gz SIKDHWWZLLEDGZ-NWDGAFQWSA-N 2 1 216.369 1.467 20 0 BDADMP Cc1ncccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336656345 180221366 /nfs/dbraw/zinc/22/13/66/180221366.db2.gz HUCUCQHOCGJPPH-LLVKDONJSA-N 2 1 221.348 1.677 20 0 BDADMP Cc1ncccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000336656348 180222460 /nfs/dbraw/zinc/22/24/60/180222460.db2.gz HUCUCQHOCGJPPH-NSHDSACASA-N 2 1 221.348 1.677 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)CO ZINC000305652053 180233627 /nfs/dbraw/zinc/23/36/27/180233627.db2.gz CIUDVYLPQODJHT-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)CO ZINC000305652053 180233628 /nfs/dbraw/zinc/23/36/28/180233628.db2.gz CIUDVYLPQODJHT-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1=CCCOC1 ZINC000290574172 180235368 /nfs/dbraw/zinc/23/53/68/180235368.db2.gz UAFJNLBYCKFFFG-UHFFFAOYSA-N 2 1 249.358 1.860 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1=CCCOC1 ZINC000290574172 180235370 /nfs/dbraw/zinc/23/53/70/180235370.db2.gz UAFJNLBYCKFFFG-UHFFFAOYSA-N 2 1 249.358 1.860 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]12CCOC2 ZINC000370738111 180239706 /nfs/dbraw/zinc/23/97/06/180239706.db2.gz HRWGTMDEXWCNLF-AWEZNQCLSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]12CCOC2 ZINC000370738111 180239708 /nfs/dbraw/zinc/23/97/08/180239708.db2.gz HRWGTMDEXWCNLF-AWEZNQCLSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOC1(C)C ZINC000340191377 180247249 /nfs/dbraw/zinc/24/72/49/180247249.db2.gz NSWMRIDPRWMYSH-LBPRGKRZSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@](C)(CO)C(C)C ZINC000352880841 180247342 /nfs/dbraw/zinc/24/73/42/180247342.db2.gz IMPSVDFUYOPNHP-CYBMUJFWSA-N 2 1 239.363 1.578 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000336680038 180249961 /nfs/dbraw/zinc/24/99/61/180249961.db2.gz CITLWIKIKHVFPN-ZDUSSCGKSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000336680038 180249963 /nfs/dbraw/zinc/24/99/63/180249963.db2.gz CITLWIKIKHVFPN-ZDUSSCGKSA-N 2 1 237.347 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)C1(C)C ZINC000361404317 180241548 /nfs/dbraw/zinc/24/15/48/180241548.db2.gz RRQJOOGOYLITAH-LBPRGKRZSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)C1(C)C ZINC000361404317 180241549 /nfs/dbraw/zinc/24/15/49/180241549.db2.gz RRQJOOGOYLITAH-LBPRGKRZSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000336705952 180241843 /nfs/dbraw/zinc/24/18/43/180241843.db2.gz UHOWWMYLNNDYJI-BFHYXJOUSA-N 2 1 249.358 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000336705952 180241846 /nfs/dbraw/zinc/24/18/46/180241846.db2.gz UHOWWMYLNNDYJI-BFHYXJOUSA-N 2 1 249.358 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000269892440 180244072 /nfs/dbraw/zinc/24/40/72/180244072.db2.gz DLTIVMWBYNLWBM-LBPRGKRZSA-N 2 1 247.346 1.456 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)CCSC ZINC000309292295 350255816 /nfs/dbraw/zinc/25/58/16/350255816.db2.gz WBXYJNZGBOGEJE-RYUDHWBXSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)CCSC ZINC000309292295 350255826 /nfs/dbraw/zinc/25/58/26/350255826.db2.gz WBXYJNZGBOGEJE-RYUDHWBXSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CCSC ZINC000309292295 350255829 /nfs/dbraw/zinc/25/58/29/350255829.db2.gz WBXYJNZGBOGEJE-RYUDHWBXSA-N 2 1 248.436 1.372 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1CCC=CO1 ZINC000278947461 180245344 /nfs/dbraw/zinc/24/53/44/180245344.db2.gz YVAUOJAZUWMZDJ-CYBMUJFWSA-N 2 1 235.331 1.864 20 0 BDADMP CC[C@@H](COC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422767832 192459346 /nfs/dbraw/zinc/45/93/46/192459346.db2.gz RRWUDSRBGGOMOB-OUAUKWLOSA-N 2 1 200.326 1.142 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1(CO)CCCCC1 ZINC000053096851 180260483 /nfs/dbraw/zinc/26/04/83/180260483.db2.gz ZXWHHABQKQRDCZ-UHFFFAOYSA-N 2 1 237.347 1.476 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)C(C)(C)O ZINC000227345136 180260843 /nfs/dbraw/zinc/26/08/43/180260843.db2.gz VOZBKUXDLQURHR-UHFFFAOYSA-N 2 1 225.336 1.331 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cocn1 ZINC000192307766 180266200 /nfs/dbraw/zinc/26/62/00/180266200.db2.gz ZJKDENLZIWPKMM-JTQLQIEISA-N 2 1 234.303 1.605 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537066 362955791 /nfs/dbraw/zinc/95/57/91/362955791.db2.gz LZFXJRCYXWVPIZ-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000070837113 180318258 /nfs/dbraw/zinc/31/82/58/180318258.db2.gz MLNNIPZRIAMDQQ-SECBINFHSA-N 2 1 211.334 1.232 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000070838049 180320353 /nfs/dbraw/zinc/32/03/53/180320353.db2.gz RLECJIFHSZXDOA-SNVBAGLBSA-N 2 1 225.361 1.541 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)OC)CC1 ZINC000336653315 350420462 /nfs/dbraw/zinc/42/04/62/350420462.db2.gz YACAATDHUPSDCN-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)OC)CC1 ZINC000336653315 350420466 /nfs/dbraw/zinc/42/04/66/350420466.db2.gz YACAATDHUPSDCN-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094338844 180338635 /nfs/dbraw/zinc/33/86/35/180338635.db2.gz MSZZWIMLAKJBMV-NOZJJQNGSA-N 2 1 236.363 1.206 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094338844 180338636 /nfs/dbraw/zinc/33/86/36/180338636.db2.gz MSZZWIMLAKJBMV-NOZJJQNGSA-N 2 1 236.363 1.206 20 0 BDADMP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000309422875 350451942 /nfs/dbraw/zinc/45/19/42/350451942.db2.gz LNZBHPBMNSHBPN-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000309422875 350451944 /nfs/dbraw/zinc/45/19/44/350451944.db2.gz LNZBHPBMNSHBPN-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000309422875 350451945 /nfs/dbraw/zinc/45/19/45/350451945.db2.gz LNZBHPBMNSHBPN-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000309422875 350451947 /nfs/dbraw/zinc/45/19/47/350451947.db2.gz LNZBHPBMNSHBPN-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCOC2)CC1 ZINC000336701993 350458194 /nfs/dbraw/zinc/45/81/94/350458194.db2.gz MQNPIUSGKOVANJ-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCOC2)CC1 ZINC000336701993 350458195 /nfs/dbraw/zinc/45/81/95/350458195.db2.gz MQNPIUSGKOVANJ-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCOCC1 ZINC000335253936 538093351 /nfs/dbraw/zinc/09/33/51/538093351.db2.gz FDIJSPKDCZVLAD-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCOCC1 ZINC000335253936 538093357 /nfs/dbraw/zinc/09/33/57/538093357.db2.gz FDIJSPKDCZVLAD-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCOCC1 ZINC000335253936 538093360 /nfs/dbraw/zinc/09/33/60/538093360.db2.gz FDIJSPKDCZVLAD-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCOCC1 ZINC000335253936 538093364 /nfs/dbraw/zinc/09/33/64/538093364.db2.gz FDIJSPKDCZVLAD-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@H](NCC1=CC[N@@H+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000392272983 323376800 /nfs/dbraw/zinc/37/68/00/323376800.db2.gz FBXCSYIPIUSSIP-JSGCOSHPSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000392272983 323376805 /nfs/dbraw/zinc/37/68/05/323376805.db2.gz FBXCSYIPIUSSIP-JSGCOSHPSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000392272983 323376806 /nfs/dbraw/zinc/37/68/06/323376806.db2.gz FBXCSYIPIUSSIP-JSGCOSHPSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCCN1 ZINC000392272983 323376812 /nfs/dbraw/zinc/37/68/12/323376812.db2.gz FBXCSYIPIUSSIP-JSGCOSHPSA-N 2 1 237.391 1.369 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCCN1 ZINC000392272983 323376817 /nfs/dbraw/zinc/37/68/17/323376817.db2.gz FBXCSYIPIUSSIP-JSGCOSHPSA-N 2 1 237.391 1.369 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000163507343 350524043 /nfs/dbraw/zinc/52/40/43/350524043.db2.gz FNXOYGHNRCRIGF-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000163507343 350524048 /nfs/dbraw/zinc/52/40/48/350524048.db2.gz FNXOYGHNRCRIGF-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163507343 350524052 /nfs/dbraw/zinc/52/40/52/350524052.db2.gz FNXOYGHNRCRIGF-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250614567 350883050 /nfs/dbraw/zinc/88/30/50/350883050.db2.gz NOFHWFNVOUCDJN-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP Brc1c[nH+]ccc1N[C@@H]1CC[NH2+]C1 ZINC000159893057 351023712 /nfs/dbraw/zinc/02/37/12/351023712.db2.gz GQLHGSZNOGWOOB-SSDOTTSWSA-N 2 1 242.120 1.618 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@H](C)O ZINC000571516593 351076745 /nfs/dbraw/zinc/07/67/45/351076745.db2.gz OVDZDORHXPIFQC-VWYCJHECSA-N 2 1 225.336 1.187 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(F)(F)F ZINC000063100438 351140402 /nfs/dbraw/zinc/14/04/02/351140402.db2.gz FHGMCPAUAMWOLK-HTQZYQBOSA-N 2 1 210.243 1.750 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(F)(F)F ZINC000063100438 351140406 /nfs/dbraw/zinc/14/04/06/351140406.db2.gz FHGMCPAUAMWOLK-HTQZYQBOSA-N 2 1 210.243 1.750 20 0 BDADMP CCn1ccnc1CNCCC[N@@H+](C)C(C)C ZINC000218211513 351403912 /nfs/dbraw/zinc/40/39/12/351403912.db2.gz FQWJMXQLIDNXEB-UHFFFAOYSA-N 2 1 238.379 1.723 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000252715726 538100634 /nfs/dbraw/zinc/10/06/34/538100634.db2.gz WNXPUIUVPOEQGQ-RHYQMDGZSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000252715726 538100636 /nfs/dbraw/zinc/10/06/36/538100636.db2.gz WNXPUIUVPOEQGQ-RHYQMDGZSA-N 2 1 214.353 1.076 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000252715829 538100703 /nfs/dbraw/zinc/10/07/03/538100703.db2.gz WVAISFWRELLGNY-RWMBFGLXSA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414847431 351856511 /nfs/dbraw/zinc/85/65/11/351856511.db2.gz VUYNYIHHKAKXDC-STQMWFEESA-N 2 1 227.396 1.339 20 0 BDADMP CCOC1CC(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000638089287 351965885 /nfs/dbraw/zinc/96/58/85/351965885.db2.gz MQCXCLNIVVQESJ-GNRIBBGQSA-N 2 1 238.375 1.485 20 0 BDADMP CCOC1CC(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000638089287 351965886 /nfs/dbraw/zinc/96/58/86/351965886.db2.gz MQCXCLNIVVQESJ-GNRIBBGQSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000638098114 351979488 /nfs/dbraw/zinc/97/94/88/351979488.db2.gz ZDVRVMINULJMSC-LBPRGKRZSA-N 2 1 243.395 1.206 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@@H+]1C ZINC000638116667 351991508 /nfs/dbraw/zinc/99/15/08/351991508.db2.gz LFADODDNILGOPV-AAEUAGOBSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@H+]1C ZINC000638116667 351991512 /nfs/dbraw/zinc/99/15/12/351991512.db2.gz LFADODDNILGOPV-AAEUAGOBSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1C ZINC000638116667 351991515 /nfs/dbraw/zinc/99/15/15/351991515.db2.gz LFADODDNILGOPV-AAEUAGOBSA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1C ZINC000638116667 351991520 /nfs/dbraw/zinc/99/15/20/351991520.db2.gz LFADODDNILGOPV-AAEUAGOBSA-N 2 1 249.358 1.702 20 0 BDADMP CC[C@H](C)[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000638186074 352051205 /nfs/dbraw/zinc/05/12/05/352051205.db2.gz KLHTZZWSPFYAET-RVMXOQNASA-N 2 1 226.364 1.199 20 0 BDADMP CCc1nc(NC[C@@H](C)[NH+](C)C)cc(C)[nH+]1 ZINC000285977122 352068434 /nfs/dbraw/zinc/06/84/34/352068434.db2.gz BQMDUDNRIZJGKU-SNVBAGLBSA-N 2 1 222.336 1.709 20 0 BDADMP C(C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C[C@H]1CCO1 ZINC000638360159 352171000 /nfs/dbraw/zinc/17/10/00/352171000.db2.gz TXJUTENOUKXDMS-OCCSQVGLSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638382136 352193650 /nfs/dbraw/zinc/19/36/50/352193650.db2.gz SIFCAXFFHIWBIM-YIYPIFLZSA-N 2 1 222.376 1.964 20 0 BDADMP Cn1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597416 180695351 /nfs/dbraw/zinc/69/53/51/180695351.db2.gz DFSLKWZUOWIIEA-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597416 180695353 /nfs/dbraw/zinc/69/53/53/180695353.db2.gz DFSLKWZUOWIIEA-OAHLLOKOSA-N 2 1 247.386 1.943 20 0 BDADMP CCC[NH2+]CCNc1cc(CC)[nH+]c(C)n1 ZINC000084082130 535174520 /nfs/dbraw/zinc/17/45/20/535174520.db2.gz OUUYKFJEXGTGJI-UHFFFAOYSA-N 2 1 222.336 1.759 20 0 BDADMP CO[C@](C)(C[NH2+][C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000638496237 352312356 /nfs/dbraw/zinc/31/23/56/352312356.db2.gz QZUHNQUZSHQVHZ-GXTWGEPZSA-N 2 1 249.358 1.603 20 0 BDADMP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000638588813 352419872 /nfs/dbraw/zinc/41/98/72/352419872.db2.gz OJASWPHCQDCGSZ-HSBZDZAISA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)CC(C)C ZINC000638589384 352420746 /nfs/dbraw/zinc/42/07/46/352420746.db2.gz UBMAZGDFRJHSID-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](C)CC1 ZINC000226328338 535181474 /nfs/dbraw/zinc/18/14/74/535181474.db2.gz ACQBDGXXUCLKFK-GFCCVEGCSA-N 2 1 214.353 1.077 20 0 BDADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([NH3+])C2)c1C ZINC000041029945 352601046 /nfs/dbraw/zinc/60/10/46/352601046.db2.gz HVEGAEWZTQTSCO-GFCCVEGCSA-N 2 1 249.358 1.630 20 0 BDADMP CC(C)C[N@@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000042593369 352623021 /nfs/dbraw/zinc/62/30/21/352623021.db2.gz YZBORTBNOZUJEQ-UHFFFAOYSA-N 2 1 227.396 1.258 20 0 BDADMP CCc1nc(NCC[NH2+]C(C)(C)C)cc(C)[nH+]1 ZINC000342121041 352737684 /nfs/dbraw/zinc/73/76/84/352737684.db2.gz RDMRMURJYSTZDS-UHFFFAOYSA-N 2 1 236.363 1.569 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]1 ZINC000422805859 192475110 /nfs/dbraw/zinc/47/51/10/192475110.db2.gz JVWYGNSAJIBQFM-MRVWCRGKSA-N 2 1 246.354 1.720 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000422805742 192474899 /nfs/dbraw/zinc/47/48/99/192474899.db2.gz HHTYTDZCYACAHY-GRYCIOLGSA-N 2 1 228.380 1.778 20 0 BDADMP Cc1nocc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334349945 352980899 /nfs/dbraw/zinc/98/08/99/352980899.db2.gz FFVAJRKEXDRULV-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000334349945 352980902 /nfs/dbraw/zinc/98/09/02/352980902.db2.gz FFVAJRKEXDRULV-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000334349945 352980906 /nfs/dbraw/zinc/98/09/06/352980906.db2.gz FFVAJRKEXDRULV-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000334349945 352980910 /nfs/dbraw/zinc/98/09/10/352980910.db2.gz FFVAJRKEXDRULV-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)OC ZINC000638838179 353023336 /nfs/dbraw/zinc/02/33/36/353023336.db2.gz DXKWLGPQHVZGQJ-GXTWGEPZSA-N 2 1 240.391 1.899 20 0 BDADMP CC(C)(N)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632530 535197052 /nfs/dbraw/zinc/19/70/52/535197052.db2.gz GSYKQDFDMZPLSK-VXGBXAGGSA-N 2 1 225.380 1.045 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632530 535197054 /nfs/dbraw/zinc/19/70/54/535197054.db2.gz GSYKQDFDMZPLSK-VXGBXAGGSA-N 2 1 225.380 1.045 20 0 BDADMP CCN1CCC[C@H]1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000252572122 353299757 /nfs/dbraw/zinc/29/97/57/353299757.db2.gz CHRHIBKRUGNAOR-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CCC[C@H]1CN(C)CC[C@H]1CC[NH2+]C1 ZINC000252572122 353299760 /nfs/dbraw/zinc/29/97/60/353299760.db2.gz CHRHIBKRUGNAOR-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN(C)CC[C@H]1CC[NH2+]C1 ZINC000252572122 353299761 /nfs/dbraw/zinc/29/97/61/353299761.db2.gz CHRHIBKRUGNAOR-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000252571901 353300103 /nfs/dbraw/zinc/30/01/03/353300103.db2.gz BZFXQSKQESIMKI-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CCOCC3)C2)C1 ZINC000334509294 353409391 /nfs/dbraw/zinc/40/93/91/353409391.db2.gz GKPHZQDDPGFSMB-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC3CCOCC3)C2)C1 ZINC000334509294 353409396 /nfs/dbraw/zinc/40/93/96/353409396.db2.gz GKPHZQDDPGFSMB-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3CCOCC3)C2)C1 ZINC000334509294 353409401 /nfs/dbraw/zinc/40/94/01/353409401.db2.gz GKPHZQDDPGFSMB-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000230126583 353473332 /nfs/dbraw/zinc/47/33/32/353473332.db2.gz MCOXTWXUTWSZGZ-HZSPNIEDSA-N 2 1 231.343 1.641 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336780334 353573270 /nfs/dbraw/zinc/57/32/70/353573270.db2.gz QZWPCMXLBIOLFT-CRVKJFQUSA-N 2 1 226.364 1.386 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336780334 353573271 /nfs/dbraw/zinc/57/32/71/353573271.db2.gz QZWPCMXLBIOLFT-CRVKJFQUSA-N 2 1 226.364 1.386 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000193813344 353608630 /nfs/dbraw/zinc/60/86/30/353608630.db2.gz KQBUMAWGMREGSF-LBPRGKRZSA-N 2 1 212.337 1.191 20 0 BDADMP CC(C)n1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000220337241 353830164 /nfs/dbraw/zinc/83/01/64/353830164.db2.gz SDIDCAHHOXHGHH-RYUDHWBXSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000220337241 353830166 /nfs/dbraw/zinc/83/01/66/353830166.db2.gz SDIDCAHHOXHGHH-RYUDHWBXSA-N 2 1 236.363 1.633 20 0 BDADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000310431761 188530358 /nfs/dbraw/zinc/53/03/58/188530358.db2.gz QIMXCKITZRFMAG-NSHDSACASA-N 2 1 237.347 1.378 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334558974 354007648 /nfs/dbraw/zinc/00/76/48/354007648.db2.gz JEQWWQCAKJKXLU-JQWIXIFHSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334558977 354007664 /nfs/dbraw/zinc/00/76/64/354007664.db2.gz JEQWWQCAKJKXLU-ZYHUDNBSSA-N 2 1 244.342 1.732 20 0 BDADMP CC(C)=CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344030992 354093995 /nfs/dbraw/zinc/09/39/95/354093995.db2.gz OQWSHULGFYEDIT-UHFFFAOYSA-N 2 1 241.423 1.768 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344128109 354146119 /nfs/dbraw/zinc/14/61/19/354146119.db2.gz IEVIGWYNBSKZIE-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP COCC1(C[NH2+]C2CC[NH+](C)CC2)CCCC1 ZINC000449739884 202016728 /nfs/dbraw/zinc/01/67/28/202016728.db2.gz CUKJPHCCUPTJHJ-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(=O)[nH]c1 ZINC000639175967 354212674 /nfs/dbraw/zinc/21/26/74/354212674.db2.gz SANOUTRCRZOVPE-UHFFFAOYSA-N 2 1 237.347 1.561 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(=O)[nH]c1 ZINC000639175967 354212678 /nfs/dbraw/zinc/21/26/78/354212678.db2.gz SANOUTRCRZOVPE-UHFFFAOYSA-N 2 1 237.347 1.561 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000334617213 354304836 /nfs/dbraw/zinc/30/48/36/354304836.db2.gz WFINDHPUJCAHMF-CHWSQXEVSA-N 2 1 219.332 1.750 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000344772169 354359634 /nfs/dbraw/zinc/35/96/34/354359634.db2.gz MMWWIBIADFUOHD-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000344772169 354359635 /nfs/dbraw/zinc/35/96/35/354359635.db2.gz MMWWIBIADFUOHD-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344772169 354359637 /nfs/dbraw/zinc/35/96/37/354359637.db2.gz MMWWIBIADFUOHD-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP CCOc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000578070511 366219104 /nfs/dbraw/zinc/21/91/04/366219104.db2.gz VVUMTZPIEPDNMO-GHMZBOCLSA-N 2 1 237.347 1.696 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334693364 354483500 /nfs/dbraw/zinc/48/35/00/354483500.db2.gz ZPEPNAHWRXYPMK-LBPRGKRZSA-N 3 1 225.380 1.045 20 0 BDADMP C[N@H+]1CCCC12CCN(CC1CC1)CC2 ZINC000334736541 354537419 /nfs/dbraw/zinc/53/74/19/354537419.db2.gz XKNBQFSJSOEKNP-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+](CC1CC1)CC2 ZINC000334736541 354537422 /nfs/dbraw/zinc/53/74/22/354537422.db2.gz XKNBQFSJSOEKNP-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CC1CC1)CC2 ZINC000334736541 354537426 /nfs/dbraw/zinc/53/74/26/354537426.db2.gz XKNBQFSJSOEKNP-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000334738523 354541072 /nfs/dbraw/zinc/54/10/72/354541072.db2.gz NGMQZYMKLASEGY-HIFRSBDPSA-N 2 1 245.370 1.916 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000334738524 354541440 /nfs/dbraw/zinc/54/14/40/354541440.db2.gz NGMQZYMKLASEGY-UKRRQHHQSA-N 2 1 245.370 1.916 20 0 BDADMP COC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335110072 354696461 /nfs/dbraw/zinc/69/64/61/354696461.db2.gz BDNBXUDZWOWCEP-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335110072 354696463 /nfs/dbraw/zinc/69/64/63/354696463.db2.gz BDNBXUDZWOWCEP-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CC[C@@H](CO)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000345895684 354801088 /nfs/dbraw/zinc/80/10/88/354801088.db2.gz YUUMNTFGRGZJFZ-ZDUSSCGKSA-N 2 1 239.363 1.674 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000345895684 354801089 /nfs/dbraw/zinc/80/10/89/354801089.db2.gz YUUMNTFGRGZJFZ-ZDUSSCGKSA-N 2 1 239.363 1.674 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCC1CCC1 ZINC000398651715 363418161 /nfs/dbraw/zinc/41/81/61/363418161.db2.gz BIOXIHGFYJBCTC-UHFFFAOYSA-N 2 1 200.326 1.084 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000335165949 354922945 /nfs/dbraw/zinc/92/29/45/354922945.db2.gz KNPKHUGQMYYIRB-VXGBXAGGSA-N 2 1 231.343 1.849 20 0 BDADMP CCOc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000346629584 354997792 /nfs/dbraw/zinc/99/77/92/354997792.db2.gz BFUZEGNSFQBDDA-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000346629584 354997794 /nfs/dbraw/zinc/99/77/94/354997794.db2.gz BFUZEGNSFQBDDA-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000335229466 355071946 /nfs/dbraw/zinc/07/19/46/355071946.db2.gz GWJRGKVJJIUHGN-OCCSQVGLSA-N 2 1 218.344 1.997 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000335209603 355046537 /nfs/dbraw/zinc/04/65/37/355046537.db2.gz HITAJWFOPRUIQC-AWEZNQCLSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000335209603 355046542 /nfs/dbraw/zinc/04/65/42/355046542.db2.gz HITAJWFOPRUIQC-AWEZNQCLSA-N 2 1 238.375 1.365 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000335234859 355096142 /nfs/dbraw/zinc/09/61/42/355096142.db2.gz BIPXAXPPWAXXKN-CYBMUJFWSA-N 2 1 246.354 1.543 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000347005399 355201905 /nfs/dbraw/zinc/20/19/05/355201905.db2.gz PFIXQZHRGQTQTN-KGLIPLIRSA-N 2 1 239.407 1.260 20 0 BDADMP CO[C@@H](C[NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000639245295 355257601 /nfs/dbraw/zinc/25/76/01/355257601.db2.gz VQYROGUOHIXWEA-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP Fc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000335777945 355403869 /nfs/dbraw/zinc/40/38/69/355403869.db2.gz UBXPFQBBAWYKAU-GXTWGEPZSA-N 2 1 249.333 1.937 20 0 BDADMP Cc1nocc1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000335793720 355447904 /nfs/dbraw/zinc/44/79/04/355447904.db2.gz IBLUJVONUVPKHM-DGCLKSJQSA-N 2 1 235.331 1.509 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335856223 355600958 /nfs/dbraw/zinc/60/09/58/355600958.db2.gz XUYQOPNKDXHVJJ-NSHDSACASA-N 2 1 230.315 1.344 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415079700 191671770 /nfs/dbraw/zinc/67/17/70/191671770.db2.gz XLGCFALECSYELX-OLZOCXBDSA-N 2 1 228.380 1.923 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216022207 355796678 /nfs/dbraw/zinc/79/66/78/355796678.db2.gz DHDHXXOSFZCFAD-AAEUAGOBSA-N 2 1 234.343 1.864 20 0 BDADMP CO[C@H](C)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374486 355877556 /nfs/dbraw/zinc/87/75/56/355877556.db2.gz GFFQQVIWZCRJIT-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CO)CC(C)C)CC1 ZINC000040773295 358499225 /nfs/dbraw/zinc/49/92/25/358499225.db2.gz YRTGSJKDCKICTD-ZDUSSCGKSA-N 2 1 228.380 1.467 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351331651 355980546 /nfs/dbraw/zinc/98/05/46/355980546.db2.gz RUVLSNBPZLYNGZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351331651 355980547 /nfs/dbraw/zinc/98/05/47/355980547.db2.gz RUVLSNBPZLYNGZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351331651 355980548 /nfs/dbraw/zinc/98/05/48/355980548.db2.gz RUVLSNBPZLYNGZ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCCn2ccnc2)CCO1 ZINC000351102732 355948091 /nfs/dbraw/zinc/94/80/91/355948091.db2.gz PYAAOMSROGHNNM-CYBMUJFWSA-N 2 1 237.347 1.630 20 0 BDADMP C[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCCCC1 ZINC000335917019 356159802 /nfs/dbraw/zinc/15/98/02/356159802.db2.gz DQBZQKHQDHWGTL-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000335919118 356166357 /nfs/dbraw/zinc/16/63/57/356166357.db2.gz IKJIXAQIBITZQU-YPMHNXCESA-N 2 1 236.363 1.192 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnn(C)c1 ZINC000335919118 356166360 /nfs/dbraw/zinc/16/63/60/356166360.db2.gz IKJIXAQIBITZQU-YPMHNXCESA-N 2 1 236.363 1.192 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420318935 192195130 /nfs/dbraw/zinc/19/51/30/192195130.db2.gz WWVHEESFCGKALG-UONOGXRCSA-N 3 1 239.407 1.437 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420318937 192195562 /nfs/dbraw/zinc/19/55/62/192195562.db2.gz WWVHEESFCGKALG-ZIAGYGMSSA-N 3 1 239.407 1.437 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420269525 192196119 /nfs/dbraw/zinc/19/61/19/192196119.db2.gz IEYUSOPZVGQAKX-KGLIPLIRSA-N 3 1 239.407 1.308 20 0 BDADMP CC[C@@H]([NH3+])CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000420272860 192197490 /nfs/dbraw/zinc/19/74/90/192197490.db2.gz WVXOQAKEUQDGLL-SNVBAGLBSA-N 2 1 246.318 1.120 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639490390 356307988 /nfs/dbraw/zinc/30/79/88/356307988.db2.gz YWGRLADUKLTNOV-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639490391 356308005 /nfs/dbraw/zinc/30/80/05/356308005.db2.gz YWGRLADUKLTNOV-STQMWFEESA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C)C(C)C ZINC000420303905 192206688 /nfs/dbraw/zinc/20/66/88/192206688.db2.gz NXFIURGXSXWUGV-ZDUSSCGKSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420314800 192213343 /nfs/dbraw/zinc/21/33/43/192213343.db2.gz LLGPKOSZWHXOQP-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)OC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420333995 192213687 /nfs/dbraw/zinc/21/36/87/192213687.db2.gz KPXZOYTUOZERCI-VXGBXAGGSA-N 2 1 240.347 1.012 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420333995 192213688 /nfs/dbraw/zinc/21/36/88/192213688.db2.gz KPXZOYTUOZERCI-VXGBXAGGSA-N 2 1 240.347 1.012 20 0 BDADMP c1cnn(CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420330532 192213912 /nfs/dbraw/zinc/21/39/12/192213912.db2.gz QBBQNJDCZUUZEA-ZIAGYGMSSA-N 2 1 248.374 1.205 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420333078 192215201 /nfs/dbraw/zinc/21/52/01/192215201.db2.gz JVUQPNBTCGXWAZ-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420333078 192215203 /nfs/dbraw/zinc/21/52/03/192215203.db2.gz JVUQPNBTCGXWAZ-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000639510228 356340214 /nfs/dbraw/zinc/34/02/14/356340214.db2.gz ZAINXVVUTKUQLV-RQJABVFESA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000639510228 356340217 /nfs/dbraw/zinc/34/02/17/356340217.db2.gz ZAINXVVUTKUQLV-RQJABVFESA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639510228 356340221 /nfs/dbraw/zinc/34/02/21/356340221.db2.gz ZAINXVVUTKUQLV-RQJABVFESA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639510228 356340223 /nfs/dbraw/zinc/34/02/23/356340223.db2.gz ZAINXVVUTKUQLV-RQJABVFESA-N 2 1 240.391 1.826 20 0 BDADMP CC[NH+]1CCC([N@H+](C)Cc2cc[nH]c(=O)c2)CC1 ZINC000639510088 356340473 /nfs/dbraw/zinc/34/04/73/356340473.db2.gz VYXLGTWHZFPPFC-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)Cc2cc[nH]c(=O)c2)CC1 ZINC000639510088 356340475 /nfs/dbraw/zinc/34/04/75/356340475.db2.gz VYXLGTWHZFPPFC-UHFFFAOYSA-N 2 1 249.358 1.703 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639510517 356343194 /nfs/dbraw/zinc/34/31/94/356343194.db2.gz BBRGJSVHTBKSRB-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639510517 356343196 /nfs/dbraw/zinc/34/31/96/356343196.db2.gz BBRGJSVHTBKSRB-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639510517 356343200 /nfs/dbraw/zinc/34/32/00/356343200.db2.gz BBRGJSVHTBKSRB-HZSPNIEDSA-N 2 1 240.391 1.685 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420305226 192209037 /nfs/dbraw/zinc/20/90/37/192209037.db2.gz GHGIPWGGIIRKAF-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420305229 192209706 /nfs/dbraw/zinc/20/97/06/192209706.db2.gz GHGIPWGGIIRKAF-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420317322 192212398 /nfs/dbraw/zinc/21/23/98/192212398.db2.gz ZJBINLKTWZNSTO-MJBXVCDLSA-N 3 1 239.407 1.387 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420317322 192212401 /nfs/dbraw/zinc/21/24/01/192212401.db2.gz ZJBINLKTWZNSTO-MJBXVCDLSA-N 3 1 239.407 1.387 20 0 BDADMP CCC[C@@](C)([NH2+]CC[C@H]1CC[NH2+]C1)C(=O)OC ZINC000420368233 192225856 /nfs/dbraw/zinc/22/58/56/192225856.db2.gz HUQMHBMAIYVYBR-DGCLKSJQSA-N 2 1 242.363 1.307 20 0 BDADMP CC(C)OCCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420366545 192225880 /nfs/dbraw/zinc/22/58/80/192225880.db2.gz RISOYMPEQUEMGC-NSHDSACASA-N 2 1 216.369 1.765 20 0 BDADMP C(C[N@H+]1CCOC[C@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000420368361 192225889 /nfs/dbraw/zinc/22/58/89/192225889.db2.gz WQNQGCFSEBCILI-OCCSQVGLSA-N 2 1 238.375 1.487 20 0 BDADMP CCCCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329237 192229167 /nfs/dbraw/zinc/22/91/67/192229167.db2.gz ODEYNLZPZYLDSK-CYBMUJFWSA-N 2 1 240.391 1.864 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420327863 192229974 /nfs/dbraw/zinc/22/99/74/192229974.db2.gz ZADZANVRWHTWLV-CHWSQXEVSA-N 3 1 227.396 1.339 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324883 192230043 /nfs/dbraw/zinc/23/00/43/192230043.db2.gz VPDJHLRXZHCAOU-KGLIPLIRSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324883 192230045 /nfs/dbraw/zinc/23/00/45/192230045.db2.gz VPDJHLRXZHCAOU-KGLIPLIRSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420324883 192230046 /nfs/dbraw/zinc/23/00/46/192230046.db2.gz VPDJHLRXZHCAOU-KGLIPLIRSA-N 3 1 239.407 1.260 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326171 192230091 /nfs/dbraw/zinc/23/00/91/192230091.db2.gz JLCTZFUXQJJEJW-AVGNSLFASA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)OCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420356968 192219860 /nfs/dbraw/zinc/21/98/60/192219860.db2.gz DAELSVUNYOXPKQ-QJPTWQEYSA-N 2 1 214.353 1.388 20 0 BDADMP COCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420358277 192220955 /nfs/dbraw/zinc/22/09/55/192220955.db2.gz FEWMMKKFSMHBJA-LBPRGKRZSA-N 2 1 214.353 1.520 20 0 BDADMP CCCC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420386930 192235219 /nfs/dbraw/zinc/23/52/19/192235219.db2.gz VICRWEVPYJQCKY-LBPRGKRZSA-N 2 1 237.351 1.174 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420381835 192235354 /nfs/dbraw/zinc/23/53/54/192235354.db2.gz ZLAYHTPGVCFREY-NQBHXWOUSA-N 2 1 242.363 1.304 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000420381528 192235643 /nfs/dbraw/zinc/23/56/43/192235643.db2.gz XOFOWPBQRCQZKE-IUODEOHRSA-N 2 1 248.370 1.920 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000420410740 192239933 /nfs/dbraw/zinc/23/99/33/192239933.db2.gz RHVMHCVFDWVIBM-DGCLKSJQSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(-n2cccn2)c1 ZINC000420420665 192240665 /nfs/dbraw/zinc/24/06/65/192240665.db2.gz YDJRAQPDFWDZLL-NWDGAFQWSA-N 2 1 244.342 1.870 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000228164499 491091220 /nfs/dbraw/zinc/09/12/20/491091220.db2.gz GGXWZWYCFUVHNC-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP Cc1cnn(CC[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420373501 192232009 /nfs/dbraw/zinc/23/20/09/192232009.db2.gz ZJNBZOUHDJONFC-LLVKDONJSA-N 2 1 224.352 1.155 20 0 BDADMP COCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374353 192232375 /nfs/dbraw/zinc/23/23/75/192232375.db2.gz NPVKMLVJOZFBRW-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000167588117 134100395 /nfs/dbraw/zinc/10/03/95/134100395.db2.gz ARBIXILHINXDRB-NEPJUHHUSA-N 2 1 219.332 1.498 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](CCc2cnccn2)CC1 ZINC000639612852 356537226 /nfs/dbraw/zinc/53/72/26/356537226.db2.gz OJKFVODYLXGMQL-CQSZACIVSA-N 2 1 248.374 1.435 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cnccn2)CC1 ZINC000639612852 356537229 /nfs/dbraw/zinc/53/72/29/356537229.db2.gz OJKFVODYLXGMQL-CQSZACIVSA-N 2 1 248.374 1.435 20 0 BDADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CCOC1 ZINC000449781619 202036227 /nfs/dbraw/zinc/03/62/27/202036227.db2.gz IXPUPUINWFKMND-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CCOC1 ZINC000449781619 202036228 /nfs/dbraw/zinc/03/62/28/202036228.db2.gz IXPUPUINWFKMND-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000639635963 356550839 /nfs/dbraw/zinc/55/08/39/356550839.db2.gz WFGREMSAOPYHHX-DGCLKSJQSA-N 2 1 237.347 1.103 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422934464 192510054 /nfs/dbraw/zinc/51/00/54/192510054.db2.gz JLSOLFZDXKOLLH-ZMLRMANQSA-N 2 1 212.337 1.142 20 0 BDADMP CC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639685238 356600595 /nfs/dbraw/zinc/60/05/95/356600595.db2.gz RGQIGNZWMSUNCM-UHFFFAOYSA-N 2 1 233.315 1.183 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(F)(F)F ZINC000422968853 192529749 /nfs/dbraw/zinc/52/97/49/192529749.db2.gz SGQGEYZKPITNMP-RKDXNWHRSA-N 2 1 224.270 1.917 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)CC1 ZINC000383641614 356606591 /nfs/dbraw/zinc/60/65/91/356606591.db2.gz ZXUITKBGTRERJP-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000383641614 356606594 /nfs/dbraw/zinc/60/65/94/356606594.db2.gz ZXUITKBGTRERJP-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000383641614 356606595 /nfs/dbraw/zinc/60/65/95/356606595.db2.gz ZXUITKBGTRERJP-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423056676 192554057 /nfs/dbraw/zinc/55/40/57/192554057.db2.gz XXZIFNLGSPHXCL-MZBUWZLFSA-N 2 1 212.337 1.044 20 0 BDADMP Fc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088287507 356655043 /nfs/dbraw/zinc/65/50/43/356655043.db2.gz BTTDIMNLLKVONV-RYUDHWBXSA-N 2 1 220.291 1.477 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000423125804 192576261 /nfs/dbraw/zinc/57/62/61/192576261.db2.gz AHWSSLWDBBPMCB-WCQGTBRESA-N 2 1 212.337 1.142 20 0 BDADMP CCC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450434633 202167386 /nfs/dbraw/zinc/16/73/86/202167386.db2.gz DLPWFLNNLZGHNC-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000450434633 202167389 /nfs/dbraw/zinc/16/73/89/202167389.db2.gz DLPWFLNNLZGHNC-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000450434633 202167391 /nfs/dbraw/zinc/16/73/91/202167391.db2.gz DLPWFLNNLZGHNC-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000355537385 356763630 /nfs/dbraw/zinc/76/36/30/356763630.db2.gz XAROMWIMVZCEGN-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373038 356882310 /nfs/dbraw/zinc/88/23/10/356882310.db2.gz PWJYBYKMORFPNM-QWHCGFSZSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000361267154 356923869 /nfs/dbraw/zinc/92/38/69/356923869.db2.gz QRMRPINTRHCHFZ-KGLIPLIRSA-N 2 1 242.407 1.667 20 0 BDADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378121 356900110 /nfs/dbraw/zinc/90/01/10/356900110.db2.gz UBVFRIZSMFIZQK-NEPJUHHUSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@@H](O)C[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000367756236 356958862 /nfs/dbraw/zinc/95/88/62/356958862.db2.gz VQXUASAPYDAZBY-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@@H](O)C[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000367756236 356958865 /nfs/dbraw/zinc/95/88/65/356958865.db2.gz VQXUASAPYDAZBY-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](C[NH3+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389788447 357032661 /nfs/dbraw/zinc/03/26/61/357032661.db2.gz NSMTXEWTVCRCMK-UMVBOHGHSA-N 2 1 247.386 1.444 20 0 BDADMP CC[C@H]1CN(C[C@@H](O)C[N@@H+](C)CC)CCS1 ZINC000390587758 357102689 /nfs/dbraw/zinc/10/26/89/357102689.db2.gz RJJOPLMHXPVDEI-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP CCCc1[nH+]ccn1C[C@@H](O)C[N@H+](C)CC ZINC000390618869 357107375 /nfs/dbraw/zinc/10/73/75/357107375.db2.gz DZJXKTCFRZSJPH-NSHDSACASA-N 2 1 225.336 1.148 20 0 BDADMP CCCc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)CC ZINC000390618869 357107378 /nfs/dbraw/zinc/10/73/78/357107378.db2.gz DZJXKTCFRZSJPH-NSHDSACASA-N 2 1 225.336 1.148 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000390590881 357111035 /nfs/dbraw/zinc/11/10/35/357111035.db2.gz ZHNNNZHCZCVALU-QWHCGFSZSA-N 2 1 226.364 1.626 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000392236357 357144077 /nfs/dbraw/zinc/14/40/77/357144077.db2.gz WLMNAMHXKIILNU-QWHCGFSZSA-N 3 1 223.364 1.108 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000399997672 357144632 /nfs/dbraw/zinc/14/46/32/357144632.db2.gz LITANOTYHFDMHO-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304318702 357162035 /nfs/dbraw/zinc/16/20/35/357162035.db2.gz PLGBROANGWLKFG-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000304335244 357162818 /nfs/dbraw/zinc/16/28/18/357162818.db2.gz WRPDQJBPIOBNDP-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000304335244 357162821 /nfs/dbraw/zinc/16/28/21/357162821.db2.gz WRPDQJBPIOBNDP-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000304335244 357162823 /nfs/dbraw/zinc/16/28/23/357162823.db2.gz WRPDQJBPIOBNDP-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000628425898 357253966 /nfs/dbraw/zinc/25/39/66/357253966.db2.gz YUJPEQMTQKBTEY-CHWSQXEVSA-N 2 1 228.380 1.590 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000423297444 192685338 /nfs/dbraw/zinc/68/53/38/192685338.db2.gz KHABEBVMUFKHLK-QWRGUYRKSA-N 2 1 246.358 1.819 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000582540556 357338751 /nfs/dbraw/zinc/33/87/51/357338751.db2.gz ZBALEWDJJIYHJR-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000582540556 357338754 /nfs/dbraw/zinc/33/87/54/357338754.db2.gz ZBALEWDJJIYHJR-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000582540556 357338758 /nfs/dbraw/zinc/33/87/58/357338758.db2.gz ZBALEWDJJIYHJR-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000582540556 357338761 /nfs/dbraw/zinc/33/87/61/357338761.db2.gz ZBALEWDJJIYHJR-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408022 357403955 /nfs/dbraw/zinc/40/39/55/357403955.db2.gz DWDCMWMRTZJEHA-WCQYABFASA-N 2 1 228.380 1.610 20 0 BDADMP CCC[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000379545401 357428186 /nfs/dbraw/zinc/42/81/86/357428186.db2.gz VYOGZGFIGLMDQE-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP CCC[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000379545401 357428190 /nfs/dbraw/zinc/42/81/90/357428190.db2.gz VYOGZGFIGLMDQE-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP CCC[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000379545401 357428196 /nfs/dbraw/zinc/42/81/96/357428196.db2.gz VYOGZGFIGLMDQE-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP CCC[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000379545401 357428201 /nfs/dbraw/zinc/42/82/01/357428201.db2.gz VYOGZGFIGLMDQE-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000359016914 538848545 /nfs/dbraw/zinc/84/85/45/538848545.db2.gz UHQASYCJYSIFPN-IUODEOHRSA-N 2 1 247.386 1.862 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396842755 357485898 /nfs/dbraw/zinc/48/58/98/357485898.db2.gz DUNKINQLXPVKDD-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000188565853 357562977 /nfs/dbraw/zinc/56/29/77/357562977.db2.gz PREDPNGXNSVWQA-AAEUAGOBSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CCN1C ZINC000230941146 357582647 /nfs/dbraw/zinc/58/26/47/357582647.db2.gz AWLILJZXUBHZOP-GXFFZTMASA-N 2 1 237.322 1.793 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415195 357763024 /nfs/dbraw/zinc/76/30/24/357763024.db2.gz CGZQWRFJRGTXAW-TZMCWYRMSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CC2)CC1(C)C ZINC000623415534 357764487 /nfs/dbraw/zinc/76/44/87/357764487.db2.gz OJUQDARWLQYNLL-GXTWGEPZSA-N 2 1 240.391 1.610 20 0 BDADMP CCOCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860588 325318279 /nfs/dbraw/zinc/31/82/79/325318279.db2.gz AUMHFWHZKNDVKZ-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860588 325318282 /nfs/dbraw/zinc/31/82/82/325318282.db2.gz AUMHFWHZKNDVKZ-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860588 325318284 /nfs/dbraw/zinc/31/82/84/325318284.db2.gz AUMHFWHZKNDVKZ-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860588 325318287 /nfs/dbraw/zinc/31/82/87/325318287.db2.gz AUMHFWHZKNDVKZ-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](CCCO)CC1 ZINC000640018000 358080864 /nfs/dbraw/zinc/08/08/64/358080864.db2.gz OSYQKPAPQFFMEE-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623421192 358165516 /nfs/dbraw/zinc/16/55/16/358165516.db2.gz BEEAECBAEGOJHZ-NEPJUHHUSA-N 2 1 228.380 1.466 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000223011815 358214180 /nfs/dbraw/zinc/21/41/80/358214180.db2.gz XDLISCMFUQDNKA-CHWSQXEVSA-N 2 1 239.407 1.720 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccno3)C[C@H]21 ZINC000228474562 358375613 /nfs/dbraw/zinc/37/56/13/358375613.db2.gz RIYWGXPNENGPIK-YUSALJHKSA-N 2 1 221.304 1.234 20 0 BDADMP CCn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545639 358377529 /nfs/dbraw/zinc/37/75/29/358377529.db2.gz YKNLSSYEXKWTAE-YNEHKIRRSA-N 2 1 248.374 1.462 20 0 BDADMP CCn1ccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545639 358377533 /nfs/dbraw/zinc/37/75/33/358377533.db2.gz YKNLSSYEXKWTAE-YNEHKIRRSA-N 2 1 248.374 1.462 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623428302 358444985 /nfs/dbraw/zinc/44/49/85/358444985.db2.gz FVJHOTUNGVTRIF-VXGBXAGGSA-N 2 1 228.380 1.610 20 0 BDADMP CC[NH+](CC)CCSCC[NH+]1CCOCC1 ZINC000032011227 358448888 /nfs/dbraw/zinc/44/88/88/358448888.db2.gz XAIUXBNUXSYNCV-UHFFFAOYSA-N 2 1 246.420 1.394 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC000193599557 358433857 /nfs/dbraw/zinc/43/38/57/358433857.db2.gz OSHLAVGOBCOTTG-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC000193599557 358433858 /nfs/dbraw/zinc/43/38/58/358433858.db2.gz OSHLAVGOBCOTTG-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC000193599557 358433861 /nfs/dbraw/zinc/43/38/61/358433861.db2.gz OSHLAVGOBCOTTG-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623427858 358435325 /nfs/dbraw/zinc/43/53/25/358435325.db2.gz PFJPPHJUBNDYFK-RWMBFGLXSA-N 2 1 242.407 1.856 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000044494696 358549999 /nfs/dbraw/zinc/54/99/99/358549999.db2.gz XEICTNHJVAPXGQ-GFCCVEGCSA-N 2 1 238.379 1.803 20 0 BDADMP CC[C@@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623429990 358690279 /nfs/dbraw/zinc/69/02/79/358690279.db2.gz YTBODGUEERVHOY-QWHCGFSZSA-N 2 1 242.407 2.000 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOc1ccccc1F ZINC000133226725 358748587 /nfs/dbraw/zinc/74/85/87/358748587.db2.gz LBJNMABVIWOSRT-UHFFFAOYSA-N 2 1 226.295 1.485 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOc1ccccc1Cl ZINC000133218066 358749122 /nfs/dbraw/zinc/74/91/22/358749122.db2.gz VFOOQRHJWRVNDR-UHFFFAOYSA-N 2 1 242.750 1.999 20 0 BDADMP C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000133294185 358749797 /nfs/dbraw/zinc/74/97/97/358749797.db2.gz NAJIRSLXDSJTAR-TUAOUCFPSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H](CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000133294185 358749799 /nfs/dbraw/zinc/74/97/99/358749799.db2.gz NAJIRSLXDSJTAR-TUAOUCFPSA-N 2 1 225.380 1.151 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1Cc1cc(OC)cc(C)[nH+]1 ZINC000214052428 358753464 /nfs/dbraw/zinc/75/34/64/358753464.db2.gz DPZKXPZOMKABDN-ZDUSSCGKSA-N 2 1 249.358 1.582 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000050248095 358721939 /nfs/dbraw/zinc/72/19/39/358721939.db2.gz GALNRGZILARTED-ZDUSSCGKSA-N 2 1 234.343 1.736 20 0 BDADMP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054129015 358854493 /nfs/dbraw/zinc/85/44/93/358854493.db2.gz KAJXJLYNMMQTRN-UHFFFAOYSA-N 2 1 243.395 1.208 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSC2)CC1(C)C ZINC000623432731 358946056 /nfs/dbraw/zinc/94/60/56/358946056.db2.gz HZPDDPQXSUUNPD-GHMZBOCLSA-N 2 1 228.405 1.954 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432975 358946574 /nfs/dbraw/zinc/94/65/74/358946574.db2.gz VCTXKTKEYOSNOV-LLVKDONJSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@@H](NCCn1ccnc1)c1cnccn1 ZINC000070025519 359038494 /nfs/dbraw/zinc/03/84/94/359038494.db2.gz ILEIWKAJVCEFQF-SNVBAGLBSA-N 2 1 217.276 1.024 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC000247885312 359247059 /nfs/dbraw/zinc/24/70/59/359247059.db2.gz CXDNQKBAEVVXLY-NEPJUHHUSA-N 2 1 243.395 1.173 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000423445525 192771979 /nfs/dbraw/zinc/77/19/79/192771979.db2.gz XZXCUAYPPOWPMH-FTYKPCCVSA-N 2 1 202.301 1.555 20 0 BDADMP COC(C)(C)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000404298520 359455506 /nfs/dbraw/zinc/45/55/06/359455506.db2.gz FHPMFBSQHBLFEB-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@H](NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423480094 192788507 /nfs/dbraw/zinc/78/85/07/192788507.db2.gz MVIKJZQMFUMSDR-RDBSUJKOSA-N 2 1 239.407 1.639 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCOC1 ZINC000163288906 202352128 /nfs/dbraw/zinc/35/21/28/202352128.db2.gz HLBSECYRTHQGMQ-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC1(C)C ZINC000623471606 359876842 /nfs/dbraw/zinc/87/68/42/359876842.db2.gz HHBUMOXYGGLKED-AVGNSLFASA-N 2 1 240.391 1.752 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000087771421 359926541 /nfs/dbraw/zinc/92/65/41/359926541.db2.gz XYLYITNETPZYED-UONOGXRCSA-N 2 1 237.391 1.156 20 0 BDADMP CN(C)c1nc(N[C@H]2CCCC[C@H]2C[NH3+])cc[nH+]1 ZINC000089108944 359990338 /nfs/dbraw/zinc/99/03/38/359990338.db2.gz UUKMZBHMTYOKCP-QWRGUYRKSA-N 2 1 249.362 1.472 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2)CC[N@@H+]1C ZINC000090720607 360085642 /nfs/dbraw/zinc/08/56/42/360085642.db2.gz WSRLGGGINVONTI-AAEUAGOBSA-N 2 1 219.332 1.654 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2)CC[N@H+]1C ZINC000090720607 360085644 /nfs/dbraw/zinc/08/56/44/360085644.db2.gz WSRLGGGINVONTI-AAEUAGOBSA-N 2 1 219.332 1.654 20 0 BDADMP CN(Cc1ccnn1C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253797 360159062 /nfs/dbraw/zinc/15/90/62/360159062.db2.gz JRNVFYJYCOCGEM-GFCCVEGCSA-N 2 1 236.363 1.194 20 0 BDADMP CC[C@@H](C)[C@H]([NH2+]CC1CC[NH2+]CC1)C(=O)OC ZINC000094010051 360294742 /nfs/dbraw/zinc/29/47/42/360294742.db2.gz NXHHPZKDGJLYBC-PWSUYJOCSA-N 2 1 242.363 1.163 20 0 BDADMP CCN(CC)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874380 360286228 /nfs/dbraw/zinc/28/62/28/360286228.db2.gz FCNAGQOINSJTHD-NSHDSACASA-N 2 1 243.395 1.160 20 0 BDADMP CCN(CC)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874380 360286229 /nfs/dbraw/zinc/28/62/29/360286229.db2.gz FCNAGQOINSJTHD-NSHDSACASA-N 2 1 243.395 1.160 20 0 BDADMP C[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000093977892 360292577 /nfs/dbraw/zinc/29/25/77/360292577.db2.gz RUJRPWLDIOLMRT-ZIAGYGMSSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000093977892 360292580 /nfs/dbraw/zinc/29/25/80/360292580.db2.gz RUJRPWLDIOLMRT-ZIAGYGMSSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000093977892 360292583 /nfs/dbraw/zinc/29/25/83/360292583.db2.gz RUJRPWLDIOLMRT-ZIAGYGMSSA-N 2 1 237.391 1.297 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH]1 ZINC000094755097 360316832 /nfs/dbraw/zinc/31/68/32/360316832.db2.gz POERNKBEYIUTOD-QWHCGFSZSA-N 2 1 219.332 1.731 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631198923 360760488 /nfs/dbraw/zinc/76/04/88/360760488.db2.gz MWFJXJAOOCQSCP-MGPQQGTHSA-N 2 1 240.391 1.754 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631199386 360765043 /nfs/dbraw/zinc/76/50/43/360765043.db2.gz PUZFNLWDLAMSAG-QWHCGFSZSA-N 2 1 242.407 2.000 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000156566273 360989847 /nfs/dbraw/zinc/98/98/47/360989847.db2.gz UAIXQRHKPYCGPB-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000156566273 360989850 /nfs/dbraw/zinc/98/98/50/360989850.db2.gz UAIXQRHKPYCGPB-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000156566273 360989852 /nfs/dbraw/zinc/98/98/52/360989852.db2.gz UAIXQRHKPYCGPB-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000156566273 360989857 /nfs/dbraw/zinc/98/98/57/360989857.db2.gz UAIXQRHKPYCGPB-BFHYXJOUSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCCO ZINC000309661899 491154082 /nfs/dbraw/zinc/15/40/82/491154082.db2.gz GIWIBQKYEXGHCJ-STQMWFEESA-N 2 1 230.396 1.856 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCCO ZINC000309661899 491154083 /nfs/dbraw/zinc/15/40/83/491154083.db2.gz GIWIBQKYEXGHCJ-STQMWFEESA-N 2 1 230.396 1.856 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000629511916 361105741 /nfs/dbraw/zinc/10/57/41/361105741.db2.gz NJZRRDMHNVEJAS-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP C[N@H+](Cc1cccnc1N)CC(C)(C)C[NH3+] ZINC000629511746 361105905 /nfs/dbraw/zinc/10/59/05/361105905.db2.gz AHVKRFDQNSQMNI-UHFFFAOYSA-N 2 1 222.336 1.081 20 0 BDADMP C[N@@H+](Cc1cccnc1N)CC(C)(C)C[NH3+] ZINC000629511746 361105907 /nfs/dbraw/zinc/10/59/07/361105907.db2.gz AHVKRFDQNSQMNI-UHFFFAOYSA-N 2 1 222.336 1.081 20 0 BDADMP C[C@@H](CCCC[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000629512529 361107030 /nfs/dbraw/zinc/10/70/30/361107030.db2.gz CRHBWPWWLQCXIE-RYUDHWBXSA-N 2 1 225.380 1.378 20 0 BDADMP Cc1ccncc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000629512550 361107067 /nfs/dbraw/zinc/10/70/67/361107067.db2.gz BCKKFDHSCZUWFD-ZDUSSCGKSA-N 2 1 221.348 1.853 20 0 BDADMP CCO[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])C1CC1 ZINC000629512930 361110270 /nfs/dbraw/zinc/11/02/70/361110270.db2.gz JOZYYKUDVFAQFE-LBPRGKRZSA-N 2 1 228.380 1.718 20 0 BDADMP CCC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OCC ZINC000629514987 361113128 /nfs/dbraw/zinc/11/31/28/361113128.db2.gz OIFTUPGVMQFOHJ-JHJVBQTASA-N 2 1 228.380 1.922 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)C1CC1 ZINC000629516729 361115032 /nfs/dbraw/zinc/11/50/32/361115032.db2.gz OHXPUOZJFRUZRW-NTZNESFSSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000629527126 361129730 /nfs/dbraw/zinc/12/97/30/361129730.db2.gz KUYQIXLLAZNLSE-NNYUYHANSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C1CC[NH+](C)CC1 ZINC000629526249 361128036 /nfs/dbraw/zinc/12/80/36/361128036.db2.gz OAWPEPPYADSOLP-FPMFFAJLSA-N 2 1 239.407 1.447 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCOC ZINC000158524890 361201963 /nfs/dbraw/zinc/20/19/63/361201963.db2.gz QZOJXPXFKAKIGF-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCOC ZINC000158524890 361201967 /nfs/dbraw/zinc/20/19/67/361201967.db2.gz QZOJXPXFKAKIGF-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP C[C@@H](CC[NH3+])NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000579006277 366694787 /nfs/dbraw/zinc/69/47/87/366694787.db2.gz XVQVKRMBOQMIDB-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640480241 361262526 /nfs/dbraw/zinc/26/25/26/361262526.db2.gz GUJGVJHQTGJSOY-CHWSQXEVSA-N 2 1 235.331 1.038 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640480241 361262528 /nfs/dbraw/zinc/26/25/28/361262528.db2.gz GUJGVJHQTGJSOY-CHWSQXEVSA-N 2 1 235.331 1.038 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640480244 361262863 /nfs/dbraw/zinc/26/28/63/361262863.db2.gz GUJGVJHQTGJSOY-STQMWFEESA-N 2 1 235.331 1.038 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640480244 361262867 /nfs/dbraw/zinc/26/28/67/361262867.db2.gz GUJGVJHQTGJSOY-STQMWFEESA-N 2 1 235.331 1.038 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000622044335 370672748 /nfs/dbraw/zinc/67/27/48/370672748.db2.gz AXHKTUGPYNPKDT-IVZWLZJFSA-N 2 1 208.309 1.216 20 0 BDADMP CCn1ccnc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622044910 370678833 /nfs/dbraw/zinc/67/88/33/370678833.db2.gz XNOKTBZWIZFLCW-VHSXEESVSA-N 2 1 210.325 1.291 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](CCOCC2CC2)CC1 ZINC000429546661 201113355 /nfs/dbraw/zinc/11/33/55/201113355.db2.gz CRGJKAILEHWVRI-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOCC2CC2)CC1 ZINC000429546661 201113358 /nfs/dbraw/zinc/11/33/58/201113358.db2.gz CRGJKAILEHWVRI-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000579353400 366767620 /nfs/dbraw/zinc/76/76/20/366767620.db2.gz AXKJBCSZWLLIHJ-GHMZBOCLSA-N 2 1 246.358 1.789 20 0 BDADMP CCC[C@@H](C)[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000579363971 366771711 /nfs/dbraw/zinc/77/17/11/366771711.db2.gz NNTHQUISDPFTPX-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429560503 201115037 /nfs/dbraw/zinc/11/50/37/201115037.db2.gz ZHVXYBQCALZFQP-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544072 361422253 /nfs/dbraw/zinc/42/22/53/361422253.db2.gz GHYXZVJWHSVCQZ-VXGBXAGGSA-N 2 1 235.331 1.537 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547615 361431207 /nfs/dbraw/zinc/43/12/07/361431207.db2.gz LDPPJBZWODSUJB-RYDUCSDGSA-N 2 1 224.348 1.284 20 0 BDADMP C[N@@H+]1CCC[C@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000629551816 361444295 /nfs/dbraw/zinc/44/42/95/361444295.db2.gz XTCSEBDHTWAFJC-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000629551816 361444299 /nfs/dbraw/zinc/44/42/99/361444299.db2.gz XTCSEBDHTWAFJC-AVGNSLFASA-N 2 1 225.380 1.188 20 0 BDADMP CCO[C@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C1CC1 ZINC000629550641 361444399 /nfs/dbraw/zinc/44/43/99/361444399.db2.gz OPKNQRVGGMEMEO-YXMLORGKSA-N 2 1 224.348 1.225 20 0 BDADMP CCO[C@H](C[N@H+]1CC2CC1(C[NH3+])C2)C1CC1 ZINC000629550641 361444403 /nfs/dbraw/zinc/44/44/03/361444403.db2.gz OPKNQRVGGMEMEO-YXMLORGKSA-N 2 1 224.348 1.225 20 0 BDADMP CC(C)OCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584134 361468715 /nfs/dbraw/zinc/46/87/15/361468715.db2.gz LXKJNIHCNYJKIS-BETUJISGSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584134 361468721 /nfs/dbraw/zinc/46/87/21/361468721.db2.gz LXKJNIHCNYJKIS-BETUJISGSA-N 2 1 226.364 1.343 20 0 BDADMP FCC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000629580697 361468796 /nfs/dbraw/zinc/46/87/96/361468796.db2.gz DRCLVUXNQXSOAO-CYBMUJFWSA-N 2 1 244.354 1.437 20 0 BDADMP C/C=C/C[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000629595552 361481940 /nfs/dbraw/zinc/48/19/40/361481940.db2.gz SCWMEBMKVUNXFC-YWVDXFKGSA-N 2 1 226.364 1.640 20 0 BDADMP C[C@@](C[NH3+])([NH2+]Cc1cccnc1)C1CC1 ZINC000433493349 201187986 /nfs/dbraw/zinc/18/79/86/201187986.db2.gz JLVLXFODAXSOTI-LBPRGKRZSA-N 2 1 205.305 1.299 20 0 BDADMP Cc1nc(NCCC[NH+](C)C)c(C)c(C)[nH+]1 ZINC000309967056 491158648 /nfs/dbraw/zinc/15/86/48/491158648.db2.gz NWWIEOYSOYSJFD-UHFFFAOYSA-N 2 1 222.336 1.765 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@@H]1[NH3+] ZINC000629651791 361557579 /nfs/dbraw/zinc/55/75/79/361557579.db2.gz JQASNMREZQSPGR-PWSUYJOCSA-N 2 1 207.321 1.194 20 0 BDADMP [NH3+][C@@H](CNCC1=CCCOC1)c1ccccc1 ZINC000629647733 361537701 /nfs/dbraw/zinc/53/77/01/361537701.db2.gz GVRUQULSMRZCCK-AWEZNQCLSA-N 2 1 232.327 1.623 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000629648156 361539623 /nfs/dbraw/zinc/53/96/23/361539623.db2.gz PZTGVTDYJHYAEO-LBPRGKRZSA-N 2 1 205.305 1.217 20 0 BDADMP C[C@H]1CC[N@@H+](CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648565 361540488 /nfs/dbraw/zinc/54/04/88/361540488.db2.gz RBHWPXBGKKKSGC-AAEUAGOBSA-N 2 1 224.348 1.250 20 0 BDADMP Cn1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000629648202 361540529 /nfs/dbraw/zinc/54/05/29/361540529.db2.gz HOHQIIWOBGHAMX-CYBMUJFWSA-N 2 1 221.348 1.632 20 0 BDADMP COCc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000629649207 361543842 /nfs/dbraw/zinc/54/38/42/361543842.db2.gz MAUSIXSFSZQWEP-MNOVXSKESA-N 2 1 238.331 1.786 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629652049 361550148 /nfs/dbraw/zinc/55/01/48/361550148.db2.gz UIPAMQPZPRFGEF-LBPRGKRZSA-N 2 1 224.348 1.265 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@@H]1[NH3+] ZINC000629652196 361550197 /nfs/dbraw/zinc/55/01/97/361550197.db2.gz XSIAAQMVYWYOBQ-OLZOCXBDSA-N 2 1 221.348 1.584 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629652016 361550416 /nfs/dbraw/zinc/55/04/16/361550416.db2.gz SMRINGNBAKYAMF-DGCLKSJQSA-N 2 1 221.348 1.584 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152866838 201211476 /nfs/dbraw/zinc/21/14/76/201211476.db2.gz QYHWDZUNDSEDRS-IJLUTSLNSA-N 2 1 214.353 1.484 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152866838 201211480 /nfs/dbraw/zinc/21/14/80/201211480.db2.gz QYHWDZUNDSEDRS-IJLUTSLNSA-N 2 1 214.353 1.484 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000153730888 201246834 /nfs/dbraw/zinc/24/68/34/201246834.db2.gz HPJDMHYVFBPBOM-STQMWFEESA-N 2 1 230.396 1.979 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000435875138 201290683 /nfs/dbraw/zinc/29/06/83/201290683.db2.gz QLWBNDJQRTUTGV-ZDUSSCGKSA-N 2 1 236.363 1.438 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000435875138 201290687 /nfs/dbraw/zinc/29/06/87/201290687.db2.gz QLWBNDJQRTUTGV-ZDUSSCGKSA-N 2 1 236.363 1.438 20 0 BDADMP CCc1cc(NC[C@H](C)[NH+]2CCOCC2)cc[nH+]1 ZINC000450242661 201306350 /nfs/dbraw/zinc/30/63/50/201306350.db2.gz PFYWMGWROMRXHS-LBPRGKRZSA-N 2 1 249.358 1.199 20 0 BDADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000094079171 181342741 /nfs/dbraw/zinc/34/27/41/181342741.db2.gz JQGWLUJHJUMXGQ-PQAZSJQKSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000094079171 181342744 /nfs/dbraw/zinc/34/27/44/181342744.db2.gz JQGWLUJHJUMXGQ-PQAZSJQKSA-N 3 1 237.391 1.473 20 0 BDADMP C[NH2+]CCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000435886324 201295418 /nfs/dbraw/zinc/29/54/18/201295418.db2.gz WCSIGYMDXHZHFO-UHFFFAOYSA-N 2 1 239.407 1.546 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000083425631 491161621 /nfs/dbraw/zinc/16/16/21/491161621.db2.gz RPLXFCCWENYZML-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP c1cc2[nH+]ccc(N3C[C@@H]4C[C@H]3C[NH2+]4)c2s1 ZINC000630386292 364100064 /nfs/dbraw/zinc/10/00/64/364100064.db2.gz WRVLWVOCKSNZPZ-IUCAKERBSA-N 2 1 231.324 1.847 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000086777803 181365463 /nfs/dbraw/zinc/36/54/63/181365463.db2.gz FZCZOHYATDINSJ-UHFFFAOYSA-N 2 1 245.779 1.967 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453397110 202759954 /nfs/dbraw/zinc/75/99/54/202759954.db2.gz ZBQAVAXCPQCMDF-YVECIDJPSA-N 2 1 226.364 1.077 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000573315693 364795558 /nfs/dbraw/zinc/79/55/58/364795558.db2.gz SGHSHNBSTSLWTF-NEPJUHHUSA-N 3 1 213.369 1.093 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000328518994 364863707 /nfs/dbraw/zinc/86/37/07/364863707.db2.gz QUWOFLBYMHDDDO-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000328518994 364863714 /nfs/dbraw/zinc/86/37/14/364863714.db2.gz QUWOFLBYMHDDDO-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000069721196 541386259 /nfs/dbraw/zinc/38/62/59/541386259.db2.gz XAENICCMVYFVMI-JTQLQIEISA-N 2 1 209.293 1.378 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccno1 ZINC000069721196 541386264 /nfs/dbraw/zinc/38/62/64/541386264.db2.gz XAENICCMVYFVMI-JTQLQIEISA-N 2 1 209.293 1.378 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000335007730 541419452 /nfs/dbraw/zinc/41/94/52/541419452.db2.gz IQOXLROMUQNURM-ZIAGYGMSSA-N 3 1 237.391 1.062 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC[C@H](C)C1 ZINC000574164481 364999511 /nfs/dbraw/zinc/99/95/11/364999511.db2.gz LHTVZHUHPLGZFW-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+]CCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000037038118 181381281 /nfs/dbraw/zinc/38/12/81/181381281.db2.gz RZRKBVZHTQSDKP-UHFFFAOYSA-N 2 1 225.380 1.286 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000442928012 193004838 /nfs/dbraw/zinc/00/48/38/193004838.db2.gz PAWYIXSTWLJVJQ-QWHCGFSZSA-N 2 1 225.380 1.047 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1(C)C ZINC000399090436 365431301 /nfs/dbraw/zinc/43/13/01/365431301.db2.gz WMRGFFQIVNRSPS-FVCCEPFGSA-N 2 1 240.391 1.920 20 0 BDADMP COCCC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000576097078 365481854 /nfs/dbraw/zinc/48/18/54/365481854.db2.gz GRDCGPMOYXGZDH-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP COCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576097078 365481859 /nfs/dbraw/zinc/48/18/59/365481859.db2.gz GRDCGPMOYXGZDH-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP COCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576097078 365481863 /nfs/dbraw/zinc/48/18/63/365481863.db2.gz GRDCGPMOYXGZDH-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP COCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000576097078 365481867 /nfs/dbraw/zinc/48/18/67/365481867.db2.gz GRDCGPMOYXGZDH-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP COCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000576097078 365481870 /nfs/dbraw/zinc/48/18/70/365481870.db2.gz GRDCGPMOYXGZDH-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000183171831 366983434 /nfs/dbraw/zinc/98/34/34/366983434.db2.gz KJOBUBXFLYATAZ-CYBMUJFWSA-N 2 1 236.363 1.299 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c1OCO2 ZINC000581020392 367238006 /nfs/dbraw/zinc/23/80/06/367238006.db2.gz WLFTUNHSLFPMSG-ZYHUDNBSSA-N 2 1 248.326 1.727 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1OCO2 ZINC000581020392 367238009 /nfs/dbraw/zinc/23/80/09/367238009.db2.gz WLFTUNHSLFPMSG-ZYHUDNBSSA-N 2 1 248.326 1.727 20 0 BDADMP CCC(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381008605 367333290 /nfs/dbraw/zinc/33/32/90/367333290.db2.gz RGGRVCHQWOSDMF-GFCCVEGCSA-N 2 1 228.380 1.467 20 0 BDADMP CCC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381008605 367333294 /nfs/dbraw/zinc/33/32/94/367333294.db2.gz RGGRVCHQWOSDMF-GFCCVEGCSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000381053202 367343449 /nfs/dbraw/zinc/34/34/49/367343449.db2.gz IMBHQSGNHAZSJF-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000581185120 367286497 /nfs/dbraw/zinc/28/64/97/367286497.db2.gz USUZIRSZLDISKV-CMPLNLGQSA-N 2 1 235.331 1.769 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000581185122 367286951 /nfs/dbraw/zinc/28/69/51/367286951.db2.gz USUZIRSZLDISKV-PWSUYJOCSA-N 2 1 235.331 1.769 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000581375091 367406645 /nfs/dbraw/zinc/40/66/45/367406645.db2.gz NTLBFEPLGVNDGM-KGYLQXTDSA-N 2 1 226.364 1.255 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382004876 367478201 /nfs/dbraw/zinc/47/82/01/367478201.db2.gz ARVHBDMTCHVDJX-QCNOEVLYSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382004876 367478204 /nfs/dbraw/zinc/47/82/04/367478204.db2.gz ARVHBDMTCHVDJX-QCNOEVLYSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000381552285 367429698 /nfs/dbraw/zinc/42/96/98/367429698.db2.gz NFVYCKYHUCOVHA-GVXVVHGQSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000381552285 367429703 /nfs/dbraw/zinc/42/97/03/367429703.db2.gz NFVYCKYHUCOVHA-GVXVVHGQSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)CC[N@H+]1C ZINC000382578449 367544261 /nfs/dbraw/zinc/54/42/61/367544261.db2.gz IMPIUHCNOMYUFQ-DGCLKSJQSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCC1 ZINC000382771685 367554689 /nfs/dbraw/zinc/55/46/89/367554689.db2.gz LZDAGZOCGUKSNV-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000383083606 367594764 /nfs/dbraw/zinc/59/47/64/367594764.db2.gz USSIHOHOBWXIKC-RFQIPJPRSA-N 2 1 240.391 1.739 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CCCC[C@H]1O ZINC000383083606 367594769 /nfs/dbraw/zinc/59/47/69/367594769.db2.gz USSIHOHOBWXIKC-RFQIPJPRSA-N 2 1 240.391 1.739 20 0 BDADMP Oc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000384004786 367668584 /nfs/dbraw/zinc/66/85/84/367668584.db2.gz WXYIHZHETRPORL-LBPRGKRZSA-N 2 1 220.316 1.481 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000384910888 367756424 /nfs/dbraw/zinc/75/64/24/367756424.db2.gz BVIJSEVGJPSDRB-RISCZKNCSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cnccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000384926897 367759245 /nfs/dbraw/zinc/75/92/45/367759245.db2.gz GORMGALXVQRTNW-UHFFFAOYSA-N 2 1 221.348 1.807 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H](C)O1 ZINC000384678937 367715354 /nfs/dbraw/zinc/71/53/54/367715354.db2.gz AAZFELAOJPBSTM-LBELIVKGSA-N 2 1 226.364 1.625 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H](C)O1 ZINC000384678937 367715358 /nfs/dbraw/zinc/71/53/58/367715358.db2.gz AAZFELAOJPBSTM-LBELIVKGSA-N 2 1 226.364 1.625 20 0 BDADMP Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000385027909 367774020 /nfs/dbraw/zinc/77/40/20/367774020.db2.gz JSUVIYMKACWBCN-KKUMJFAQSA-N 2 1 245.370 1.949 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000385050519 367778705 /nfs/dbraw/zinc/77/87/05/367778705.db2.gz QPWQHCKLPGHKCH-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP CSCC1CCC([NH2+]CC[NH3+])CC1 ZINC000385861632 367871097 /nfs/dbraw/zinc/87/10/97/367871097.db2.gz SDVLRSWLSLTVFI-UHFFFAOYSA-N 2 1 202.367 1.457 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386105131 367912447 /nfs/dbraw/zinc/91/24/47/367912447.db2.gz KMFHGSYAOUTHPU-DCAQKATOSA-N 2 1 216.394 1.858 20 0 BDADMP CSC[C@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386105138 367912908 /nfs/dbraw/zinc/91/29/08/367912908.db2.gz KMFHGSYAOUTHPU-HBNTYKKESA-N 2 1 216.394 1.858 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000386161126 367922950 /nfs/dbraw/zinc/92/29/50/367922950.db2.gz UUUQOPCGUPUFNE-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)C2)[C@H](C)C1 ZINC000566216246 326016341 /nfs/dbraw/zinc/01/63/41/326016341.db2.gz XDIOLUBRNQEHKK-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]([NH2+]CCc1ccccn1)[C@H]1CCCC[NH2+]1 ZINC000386546286 367991144 /nfs/dbraw/zinc/99/11/44/367991144.db2.gz FWHIXMIKUJVXLH-GXTWGEPZSA-N 2 1 233.359 1.744 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386451802 367976159 /nfs/dbraw/zinc/97/61/59/367976159.db2.gz OBZUTOYEMXCVDE-UONOGXRCSA-N 2 1 241.423 1.837 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386620914 368003574 /nfs/dbraw/zinc/00/35/74/368003574.db2.gz YEGPHOPVBTWZRV-OLZOCXBDSA-N 2 1 227.396 1.447 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000252775086 368061507 /nfs/dbraw/zinc/06/15/07/368061507.db2.gz JYTSSSUCOZXTHI-WRWGMCAJSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000252789154 368062887 /nfs/dbraw/zinc/06/28/87/368062887.db2.gz RKIAOQOSBHUMED-QJPTWQEYSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386696301 368010998 /nfs/dbraw/zinc/01/09/98/368010998.db2.gz OXVGPGCPZNJILJ-RWMBFGLXSA-N 2 1 246.358 1.469 20 0 BDADMP CC[NH+](CC)CC(=O)NCCC[N@@H+](C)C(C)C ZINC000063737995 368595884 /nfs/dbraw/zinc/59/58/84/368595884.db2.gz AKFWCIKETFVARC-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccn1 ZINC000069754222 368757479 /nfs/dbraw/zinc/75/74/79/368757479.db2.gz PJOVZUKGMRNPFJ-UHFFFAOYSA-N 2 1 230.315 1.766 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccco1 ZINC000069754238 368757657 /nfs/dbraw/zinc/75/76/57/368757657.db2.gz JZTUBSMHAZFCMX-UHFFFAOYSA-N 2 1 219.288 1.964 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631821748 368974580 /nfs/dbraw/zinc/97/45/80/368974580.db2.gz HYNWUVIMRGDYNC-RVMXOQNASA-N 2 1 226.364 1.471 20 0 BDADMP Cc1nccnc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631828103 368997161 /nfs/dbraw/zinc/99/71/61/368997161.db2.gz FFRARBWAOFCEJZ-MDZLAQPJSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631828103 368997168 /nfs/dbraw/zinc/99/71/68/368997168.db2.gz FFRARBWAOFCEJZ-MDZLAQPJSA-N 2 1 248.374 1.590 20 0 BDADMP COCC(C)(C)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657116 368997900 /nfs/dbraw/zinc/99/79/00/368997900.db2.gz KBCYJHZTEHMYSH-ZDUSSCGKSA-N 2 1 242.407 1.981 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000459601491 203313290 /nfs/dbraw/zinc/31/32/90/203313290.db2.gz XEJNGIGRZMELJT-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP COc1ccc(C)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574760 369354134 /nfs/dbraw/zinc/35/41/34/369354134.db2.gz OSAMWSFAFKVSKY-ZIAGYGMSSA-N 2 1 246.354 1.655 20 0 BDADMP CCOC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459744942 203349378 /nfs/dbraw/zinc/34/93/78/203349378.db2.gz YHIOPOJZWAZBRZ-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC2)C1 ZINC000459729274 203343655 /nfs/dbraw/zinc/34/36/55/203343655.db2.gz IWQPXXKRRPNWGL-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C=Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459730622 203344478 /nfs/dbraw/zinc/34/44/78/203344478.db2.gz DYTGEEMTWZGEBY-ZDUSSCGKSA-N 2 1 248.374 1.805 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000459794887 203369341 /nfs/dbraw/zinc/36/93/41/203369341.db2.gz UVRQVLFAZZZKNE-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]CCCc1c[nH+]cn1C ZINC000314126491 326291820 /nfs/dbraw/zinc/29/18/20/326291820.db2.gz JSZRGLUWYRZSAF-CYBMUJFWSA-N 2 1 239.363 1.349 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH+](C)C ZINC000620623208 369967684 /nfs/dbraw/zinc/96/76/84/369967684.db2.gz LVXSVAKSZJJTFA-NSHDSACASA-N 2 1 243.395 1.173 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252979704 370144068 /nfs/dbraw/zinc/14/40/68/370144068.db2.gz JBSDDOPVLWJQGE-UBHSHLNASA-N 2 1 248.374 1.462 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000253178937 370155305 /nfs/dbraw/zinc/15/53/05/370155305.db2.gz CLQLOTDHSXUUAG-DGCLKSJQSA-N 2 1 219.332 1.498 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000621784751 370537068 /nfs/dbraw/zinc/53/70/68/370537068.db2.gz ULOIFBVVUPLEFZ-MCIONIFRSA-N 2 1 238.375 1.759 20 0 BDADMP CCn1cc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000621775385 370522689 /nfs/dbraw/zinc/52/26/89/370522689.db2.gz NNWNEJXOSRULNY-KBPBESRZSA-N 2 1 248.374 1.129 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000621775385 370522692 /nfs/dbraw/zinc/52/26/92/370522692.db2.gz NNWNEJXOSRULNY-KBPBESRZSA-N 2 1 248.374 1.129 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CCC1 ZINC000621783441 370533978 /nfs/dbraw/zinc/53/39/78/370533978.db2.gz BLEFTWCKCUWDOQ-BFHYXJOUSA-N 2 1 238.375 1.615 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631044814 371029880 /nfs/dbraw/zinc/02/98/80/371029880.db2.gz OAYWXXHDEJXCDH-GFCCVEGCSA-N 2 1 235.331 1.219 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)CC1(C)C ZINC000623777513 371088754 /nfs/dbraw/zinc/08/87/54/371088754.db2.gz IHLFSERNPKCFMJ-LBPRGKRZSA-N 2 1 249.358 1.750 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)CC1(C)C ZINC000623777513 371088760 /nfs/dbraw/zinc/08/87/60/371088760.db2.gz IHLFSERNPKCFMJ-LBPRGKRZSA-N 2 1 249.358 1.750 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623823856 371111911 /nfs/dbraw/zinc/11/19/11/371111911.db2.gz NBRKPEBHVKVUNN-RWMBFGLXSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCCO1 ZINC000623928210 371159215 /nfs/dbraw/zinc/15/92/15/371159215.db2.gz HYZDGAVUUMICPG-JSGCOSHPSA-N 2 1 238.375 1.796 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCCO1 ZINC000623963678 371199700 /nfs/dbraw/zinc/19/97/00/371199700.db2.gz MNCBEZYCVBLNCI-WCQYABFASA-N 2 1 237.347 1.510 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122163 371322888 /nfs/dbraw/zinc/32/28/88/371322888.db2.gz LIXDBDKMRTXLPI-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP CCOC1CC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624122055 371323049 /nfs/dbraw/zinc/32/30/49/371323049.db2.gz ITQRXHGHDOQJCH-IYXRBSQSSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000624124139 371324614 /nfs/dbraw/zinc/32/46/14/371324614.db2.gz YHYMGVRBLXJBCG-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@@H+]1C ZINC000624258375 371445065 /nfs/dbraw/zinc/44/50/65/371445065.db2.gz IHSJNJQTUUDRAN-CMPLNLGQSA-N 2 1 235.331 1.360 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@H+]1C ZINC000624258375 371445069 /nfs/dbraw/zinc/44/50/69/371445069.db2.gz IHSJNJQTUUDRAN-CMPLNLGQSA-N 2 1 235.331 1.360 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1cn[nH]c1 ZINC000157021488 371516066 /nfs/dbraw/zinc/51/60/66/371516066.db2.gz PNLHZZHUBDHFAV-UHFFFAOYSA-N 2 1 210.325 1.231 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccs1 ZINC000401729939 371804826 /nfs/dbraw/zinc/80/48/26/371804826.db2.gz SZIQBQOPMYPLHI-UHFFFAOYSA-N 2 1 221.329 1.814 20 0 BDADMP CC(C)(F)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631189241 372222321 /nfs/dbraw/zinc/22/23/21/372222321.db2.gz QLSLQXFAZSQQIT-GHMZBOCLSA-N 2 1 214.328 1.951 20 0 BDADMP CC(C)(F)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631189241 372222326 /nfs/dbraw/zinc/22/23/26/372222326.db2.gz QLSLQXFAZSQQIT-GHMZBOCLSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000631822040 372597082 /nfs/dbraw/zinc/59/70/82/372597082.db2.gz RCKGMUIHXMMRKK-MNOVXSKESA-N 2 1 214.353 1.328 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822584 372599101 /nfs/dbraw/zinc/59/91/01/372599101.db2.gz IOBZWEQGVQWDTH-LSGALXMHSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000631827198 372607724 /nfs/dbraw/zinc/60/77/24/372607724.db2.gz HUBKJBHPKQCBFD-FDYHWXHSSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000631829274 372610806 /nfs/dbraw/zinc/61/08/06/372610806.db2.gz MJBWJGWBMNPGHR-ZJUUUORDSA-N 2 1 200.326 1.081 20 0 BDADMP Cc1nccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829222 372611073 /nfs/dbraw/zinc/61/10/73/372611073.db2.gz KXWWWRCGARZHBG-JSGCOSHPSA-N 2 1 246.358 1.346 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829222 372611079 /nfs/dbraw/zinc/61/10/79/372611079.db2.gz KXWWWRCGARZHBG-JSGCOSHPSA-N 2 1 246.358 1.346 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000631829639 372611806 /nfs/dbraw/zinc/61/18/06/372611806.db2.gz WNSIVSKVZWOFPN-XUXIUFHCSA-N 2 1 238.375 1.472 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000631834876 372620897 /nfs/dbraw/zinc/62/08/97/372620897.db2.gz HOHUINMVUGPJPS-UONOGXRCSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+][C@@H]1CCCCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000631834876 372620904 /nfs/dbraw/zinc/62/09/04/372620904.db2.gz HOHUINMVUGPJPS-UONOGXRCSA-N 2 1 239.407 1.579 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC000631837431 372627001 /nfs/dbraw/zinc/62/70/01/372627001.db2.gz BKCDLQUJDNBIOQ-IINYFYTJSA-N 2 1 233.359 1.725 20 0 BDADMP C[C@@H]1C[N@@H+](CCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000631838481 372631869 /nfs/dbraw/zinc/63/18/69/372631869.db2.gz PEGJWRQYMYLUDF-ZIAGYGMSSA-N 2 1 247.386 1.649 20 0 BDADMP C[C@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1C[NH3+] ZINC000631840867 372638815 /nfs/dbraw/zinc/63/88/15/372638815.db2.gz GRYUNPOXJWCQSO-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1C[NH3+] ZINC000631840867 372638821 /nfs/dbraw/zinc/63/88/21/372638821.db2.gz GRYUNPOXJWCQSO-GXSJLCMTSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000631825665 372604068 /nfs/dbraw/zinc/60/40/68/372604068.db2.gz PRYDAARSQUYYAD-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865496 372667041 /nfs/dbraw/zinc/66/70/41/372667041.db2.gz CKBVFZMQEDKXPH-ZDUSSCGKSA-N 2 1 248.370 1.794 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631884355 372679437 /nfs/dbraw/zinc/67/94/37/372679437.db2.gz ISLDVCVWIRHDII-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631884355 372679441 /nfs/dbraw/zinc/67/94/41/372679441.db2.gz ISLDVCVWIRHDII-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP COCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888682 372685373 /nfs/dbraw/zinc/68/53/73/372685373.db2.gz YTWMZQUCGUCXQA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888682 372685375 /nfs/dbraw/zinc/68/53/75/372685375.db2.gz YTWMZQUCGUCXQA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000379754781 373055920 /nfs/dbraw/zinc/05/59/20/373055920.db2.gz SUXOGWRBNMGPCR-ZYHUDNBSSA-N 2 1 210.321 1.002 20 0 BDADMP Cc1cncc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000380968354 373688385 /nfs/dbraw/zinc/68/83/85/373688385.db2.gz VROPMCQMEXTBPP-GJZGRUSLSA-N 2 1 245.370 1.951 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000070348218 374140479 /nfs/dbraw/zinc/14/04/79/374140479.db2.gz MCSWTNOUSODSRP-KBPBESRZSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cn[nH]c1 ZINC000424378931 206038562 /nfs/dbraw/zinc/03/85/62/206038562.db2.gz UKRRLFHPFWVYKO-JMJZKYOTSA-N 2 1 208.309 1.330 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC(C)(C)COC)C1 ZINC000426418753 206049611 /nfs/dbraw/zinc/04/96/11/206049611.db2.gz YBECIZMCHGXEQT-CYBMUJFWSA-N 2 1 242.407 1.933 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)COC)C1 ZINC000426418753 206049615 /nfs/dbraw/zinc/04/96/15/206049615.db2.gz YBECIZMCHGXEQT-CYBMUJFWSA-N 2 1 242.407 1.933 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000426418753 206049622 /nfs/dbraw/zinc/04/96/22/206049622.db2.gz YBECIZMCHGXEQT-CYBMUJFWSA-N 2 1 242.407 1.933 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000156880313 206077479 /nfs/dbraw/zinc/07/74/79/206077479.db2.gz MRENFTPBBKJRQZ-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000156880313 206077481 /nfs/dbraw/zinc/07/74/81/206077481.db2.gz MRENFTPBBKJRQZ-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP Cn1cncc1CC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000459426610 206126026 /nfs/dbraw/zinc/12/60/26/206126026.db2.gz MLRMIEPRVANMMF-CHWSQXEVSA-N 2 1 237.347 1.198 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000308878686 170375350 /nfs/dbraw/zinc/37/53/50/170375350.db2.gz CFXLJPYGXQVCRZ-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP O=C1NCC[C@H]1[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000328685594 183026534 /nfs/dbraw/zinc/02/65/34/183026534.db2.gz XPKJAEGMZZRHHY-VXGBXAGGSA-N 2 1 247.298 1.264 20 0 BDADMP OCC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217386 183094720 /nfs/dbraw/zinc/09/47/20/183094720.db2.gz KRKJNMPKOLTSHE-ZDUSSCGKSA-N 2 1 226.364 1.080 20 0 BDADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000353509718 183137970 /nfs/dbraw/zinc/13/79/70/183137970.db2.gz LGPJJDNBJVIJSP-MJBXVCDLSA-N 2 1 238.375 1.221 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C(C)C)C1 ZINC000336720568 169077363 /nfs/dbraw/zinc/07/73/63/169077363.db2.gz WYXGAVJSYUHIFG-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336720568 169077364 /nfs/dbraw/zinc/07/73/64/169077364.db2.gz WYXGAVJSYUHIFG-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336720568 169077365 /nfs/dbraw/zinc/07/73/65/169077365.db2.gz WYXGAVJSYUHIFG-KBPBESRZSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC000336707415 169079040 /nfs/dbraw/zinc/07/90/40/169079040.db2.gz ORXNESXIJPMFSR-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336707415 169079043 /nfs/dbraw/zinc/07/90/43/169079043.db2.gz ORXNESXIJPMFSR-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336707415 169079045 /nfs/dbraw/zinc/07/90/45/169079045.db2.gz ORXNESXIJPMFSR-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000336738997 169122469 /nfs/dbraw/zinc/12/24/69/169122469.db2.gz OQZSKHNNYMERLD-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000336738997 169122471 /nfs/dbraw/zinc/12/24/71/169122471.db2.gz OQZSKHNNYMERLD-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000336738997 169122472 /nfs/dbraw/zinc/12/24/72/169122472.db2.gz OQZSKHNNYMERLD-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310321139 183232210 /nfs/dbraw/zinc/23/22/10/183232210.db2.gz YTHYXNDBKJKCPJ-KGLIPLIRSA-N 2 1 238.375 1.506 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@@H](O)CN(C)C1CC1 ZINC000310240635 169105395 /nfs/dbraw/zinc/10/53/95/169105395.db2.gz CYGIOWSQVZWRKV-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310240635 169105396 /nfs/dbraw/zinc/10/53/96/169105396.db2.gz CYGIOWSQVZWRKV-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310240635 169105398 /nfs/dbraw/zinc/10/53/98/169105398.db2.gz CYGIOWSQVZWRKV-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310240635 169105399 /nfs/dbraw/zinc/10/53/99/169105399.db2.gz CYGIOWSQVZWRKV-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310240635 169105400 /nfs/dbraw/zinc/10/54/00/169105400.db2.gz CYGIOWSQVZWRKV-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP Oc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000336251176 183288756 /nfs/dbraw/zinc/28/87/56/183288756.db2.gz WLKJHXOHSIBROK-HNNXBMFYSA-N 2 1 246.354 1.968 20 0 BDADMP Oc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000336251176 183288759 /nfs/dbraw/zinc/28/87/59/183288759.db2.gz WLKJHXOHSIBROK-HNNXBMFYSA-N 2 1 246.354 1.968 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000111240981 169187550 /nfs/dbraw/zinc/18/75/50/169187550.db2.gz DVYYPGBJYYDDAJ-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CCCN1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000310318975 169189843 /nfs/dbraw/zinc/18/98/43/169189843.db2.gz YBVVDDBDXXNCCL-ZDUSSCGKSA-N 2 1 241.423 1.968 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000268657565 183326685 /nfs/dbraw/zinc/32/66/85/183326685.db2.gz LIOHTMBVRUFZLP-LLVKDONJSA-N 2 1 205.305 1.999 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC000353138988 169199933 /nfs/dbraw/zinc/19/99/33/169199933.db2.gz NJMPMRPSESQCKJ-AWEZNQCLSA-N 2 1 239.407 1.545 20 0 BDADMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000156022866 183338443 /nfs/dbraw/zinc/33/84/43/183338443.db2.gz ZBIOELPCFAJBEO-LSDHHAIUSA-N 2 1 245.370 1.841 20 0 BDADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000082546186 183340193 /nfs/dbraw/zinc/34/01/93/183340193.db2.gz SCFBGRNGKAKEBB-UHFFFAOYSA-N 2 1 231.343 1.657 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000106868304 183351538 /nfs/dbraw/zinc/35/15/38/183351538.db2.gz YSVXISZSSYYNNN-ZIAGYGMSSA-N 2 1 231.343 1.798 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000106868304 183351540 /nfs/dbraw/zinc/35/15/40/183351540.db2.gz YSVXISZSSYYNNN-ZIAGYGMSSA-N 2 1 231.343 1.798 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994564 183393800 /nfs/dbraw/zinc/39/38/00/183393800.db2.gz CCUYKVBNXWUEKF-HNNXBMFYSA-N 2 1 230.355 1.915 20 0 BDADMP CCCO[C@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000357083891 169312454 /nfs/dbraw/zinc/31/24/54/169312454.db2.gz IVZNAWRMZRBSLV-ZDUSSCGKSA-N 2 1 244.379 1.243 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222568580 134332837 /nfs/dbraw/zinc/33/28/37/134332837.db2.gz ZOFMIKFPLXVOGC-AVGNSLFASA-N 2 1 228.380 1.467 20 0 BDADMP O[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252733222 383823575 /nfs/dbraw/zinc/82/35/75/383823575.db2.gz YKQGSUPOBNAGAZ-YIYPIFLZSA-N 2 1 238.375 1.506 20 0 BDADMP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000400177316 383824923 /nfs/dbraw/zinc/82/49/23/383824923.db2.gz PRDQSMFVPOPECY-GXTWGEPZSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000087646405 383856769 /nfs/dbraw/zinc/85/67/69/383856769.db2.gz TYDXRZGMZXCJLW-WDEREUQCSA-N 2 1 208.305 1.930 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000087646115 383857190 /nfs/dbraw/zinc/85/71/90/383857190.db2.gz ZCDKIOIWCDFYKT-NWDGAFQWSA-N 2 1 219.332 1.732 20 0 BDADMP C[C@H]1O[C@@H](C)C[C@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401732465 383884036 /nfs/dbraw/zinc/88/40/36/383884036.db2.gz PEBQQQCWMKXWDV-PREPNJAASA-N 2 1 212.337 1.140 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000113516223 383989580 /nfs/dbraw/zinc/98/95/80/383989580.db2.gz ILLCNTRIUGNEGI-CQSZACIVSA-N 2 1 248.370 1.949 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000113516223 383989590 /nfs/dbraw/zinc/98/95/90/383989590.db2.gz ILLCNTRIUGNEGI-CQSZACIVSA-N 2 1 248.370 1.949 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000400233465 383944443 /nfs/dbraw/zinc/94/44/43/383944443.db2.gz SXLRCJADUIIUPS-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000187691051 383969600 /nfs/dbraw/zinc/96/96/00/383969600.db2.gz DILLHJIDAGKYMU-CYBMUJFWSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCCNC1)C1CC[NH+](C)CC1 ZINC000643545307 384012465 /nfs/dbraw/zinc/01/24/65/384012465.db2.gz YBJMMTYPBHGQTH-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2(O)CCCC2)CC1 ZINC000336514470 384045287 /nfs/dbraw/zinc/04/52/87/384045287.db2.gz JXNKRKFQCWWNAW-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CO1 ZINC000401846911 384119990 /nfs/dbraw/zinc/11/99/90/384119990.db2.gz BLUXDAQOEVPXJV-FVCCEPFGSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCOCC2)CC[N@@H+]1C ZINC000090720868 384170380 /nfs/dbraw/zinc/17/03/80/384170380.db2.gz RLAHUUROSSUVJL-JQWIXIFHSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCOCC2)CC[N@H+]1C ZINC000090720868 384170382 /nfs/dbraw/zinc/17/03/82/384170382.db2.gz RLAHUUROSSUVJL-JQWIXIFHSA-N 2 1 212.337 1.238 20 0 BDADMP CSCCCN(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000393810167 384188815 /nfs/dbraw/zinc/18/88/15/384188815.db2.gz SGDCFMIIBMMHCC-GFCCVEGCSA-N 2 1 248.436 1.372 20 0 BDADMP CSCCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000393810167 384188816 /nfs/dbraw/zinc/18/88/16/384188816.db2.gz SGDCFMIIBMMHCC-GFCCVEGCSA-N 2 1 248.436 1.372 20 0 BDADMP CSCCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000393810167 384188820 /nfs/dbraw/zinc/18/88/20/384188820.db2.gz SGDCFMIIBMMHCC-GFCCVEGCSA-N 2 1 248.436 1.372 20 0 BDADMP CSCCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000393810167 384188821 /nfs/dbraw/zinc/18/88/21/384188821.db2.gz SGDCFMIIBMMHCC-GFCCVEGCSA-N 2 1 248.436 1.372 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000381102010 384194358 /nfs/dbraw/zinc/19/43/58/384194358.db2.gz YAUSLNLSBBSCDG-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000381102010 384194365 /nfs/dbraw/zinc/19/43/65/384194365.db2.gz YAUSLNLSBBSCDG-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000381102010 384194367 /nfs/dbraw/zinc/19/43/67/384194367.db2.gz YAUSLNLSBBSCDG-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000381102010 384194371 /nfs/dbraw/zinc/19/43/71/384194371.db2.gz YAUSLNLSBBSCDG-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+](CCC1CC1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351585482 384194872 /nfs/dbraw/zinc/19/48/72/384194872.db2.gz YUWHXNOHKSMISO-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](CCC1CC1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351585482 384194878 /nfs/dbraw/zinc/19/48/78/384194878.db2.gz YUWHXNOHKSMISO-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CCC1CC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351585482 384194883 /nfs/dbraw/zinc/19/48/83/384194883.db2.gz YUWHXNOHKSMISO-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CCC1CC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351585482 384194885 /nfs/dbraw/zinc/19/48/85/384194885.db2.gz YUWHXNOHKSMISO-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000133061583 384223352 /nfs/dbraw/zinc/22/33/52/384223352.db2.gz MEDJTOAWBDPJKE-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313340155 384270439 /nfs/dbraw/zinc/27/04/39/384270439.db2.gz LPYMHHAPDHKGQF-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000647172754 384425466 /nfs/dbraw/zinc/42/54/66/384425466.db2.gz HQKQTGCIOBQZDN-ZYHUDNBSSA-N 2 1 223.320 1.349 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000135456655 384446205 /nfs/dbraw/zinc/44/62/05/384446205.db2.gz DGXXPRVJXSYRHC-LBPRGKRZSA-N 2 1 221.348 1.820 20 0 BDADMP CC[C@@H]1CN(C)CCN1c1ccnc(C)n1 ZINC000558978098 384448947 /nfs/dbraw/zinc/44/89/47/384448947.db2.gz NYZUZLJPXQBAMD-LLVKDONJSA-N 2 1 220.320 1.315 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000647175054 384471057 /nfs/dbraw/zinc/47/10/57/384471057.db2.gz VULXZARSXZTNAU-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP COCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150778031 384505815 /nfs/dbraw/zinc/50/58/15/384505815.db2.gz CGGDGJUSAWVWNQ-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000647179660 384531851 /nfs/dbraw/zinc/53/18/51/384531851.db2.gz KCGNELDTOIMMPQ-MGPQQGTHSA-N 2 1 240.391 1.874 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000151143368 384543099 /nfs/dbraw/zinc/54/30/99/384543099.db2.gz YGXYBQFRVCBFAV-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019843423 384544504 /nfs/dbraw/zinc/54/45/04/384544504.db2.gz FCFNXRHHFWNXTN-GFCCVEGCSA-N 2 1 205.305 1.252 20 0 BDADMP OCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000643057848 384563443 /nfs/dbraw/zinc/56/34/43/384563443.db2.gz LGWTUIWNRRJNNE-GFCCVEGCSA-N 2 1 226.364 1.223 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428030582 384553519 /nfs/dbraw/zinc/55/35/19/384553519.db2.gz IOEFXVGIPXTFHG-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCF)CC[N@@H+]1C ZINC000151374913 384567878 /nfs/dbraw/zinc/56/78/78/384567878.db2.gz MMVKDWRESAMAER-QWRGUYRKSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCF)CC[N@H+]1C ZINC000151374913 384567885 /nfs/dbraw/zinc/56/78/85/384567885.db2.gz MMVKDWRESAMAER-QWRGUYRKSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCCF)CC[NH+]1C ZINC000151374913 384567889 /nfs/dbraw/zinc/56/78/89/384567889.db2.gz MMVKDWRESAMAER-QWRGUYRKSA-N 2 1 202.317 1.761 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCCF)CC[NH+]1C ZINC000151374913 384567894 /nfs/dbraw/zinc/56/78/94/384567894.db2.gz MMVKDWRESAMAER-QWRGUYRKSA-N 2 1 202.317 1.761 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000171594684 384609654 /nfs/dbraw/zinc/60/96/54/384609654.db2.gz JHMDXFKPOHALEN-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP COC[C@H](C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363577286 384620193 /nfs/dbraw/zinc/62/01/93/384620193.db2.gz LEJUNQAWCAAGMS-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP CCc1cc(NC[C@@H](C)C[NH+](C)C)nc(C)[nH+]1 ZINC000291636879 384672326 /nfs/dbraw/zinc/67/23/26/384672326.db2.gz AWPXGFBJHRNWBW-SNVBAGLBSA-N 2 1 236.363 1.957 20 0 BDADMP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000449606518 384701690 /nfs/dbraw/zinc/70/16/90/384701690.db2.gz YXUFZVXCNUDFLZ-GMXVVIOVSA-N 2 1 249.358 1.141 20 0 BDADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000082666702 384701724 /nfs/dbraw/zinc/70/17/24/384701724.db2.gz FTJKMHYEHSAXCJ-ZDUSSCGKSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000082666702 384701727 /nfs/dbraw/zinc/70/17/27/384701727.db2.gz FTJKMHYEHSAXCJ-ZDUSSCGKSA-N 2 1 219.332 1.656 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CNC[C@H](C)C1)[C@@H]1CCCO1 ZINC000647549658 384748275 /nfs/dbraw/zinc/74/82/75/384748275.db2.gz LJPGNMNNFRLGHP-VOAKCMCISA-N 2 1 226.364 1.532 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)[C@@H]1CCCO1 ZINC000647549658 384748281 /nfs/dbraw/zinc/74/82/81/384748281.db2.gz LJPGNMNNFRLGHP-VOAKCMCISA-N 2 1 226.364 1.532 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000234714217 384750201 /nfs/dbraw/zinc/75/02/01/384750201.db2.gz XGIVGZHYCHZQTP-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000647551698 384752770 /nfs/dbraw/zinc/75/27/70/384752770.db2.gz DCWBSMDOSNWDRU-FPYNETTCSA-N 2 1 208.349 1.763 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)s1 ZINC000125903204 384754287 /nfs/dbraw/zinc/75/42/87/384754287.db2.gz YEAIQKPBZONFSW-GFCCVEGCSA-N 2 1 242.388 1.459 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]C1 ZINC000647551960 384758714 /nfs/dbraw/zinc/75/87/14/384758714.db2.gz ZLDBGOGQJVGPIG-AGIUHOORSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306818985 384833396 /nfs/dbraw/zinc/83/33/96/384833396.db2.gz FLEDFQYEVUNBOI-AXFHLTTASA-N 2 1 212.362 1.033 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306818985 384833402 /nfs/dbraw/zinc/83/34/02/384833402.db2.gz FLEDFQYEVUNBOI-AXFHLTTASA-N 2 1 212.362 1.033 20 0 BDADMP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](C)CC1 ZINC000310012492 384783485 /nfs/dbraw/zinc/78/34/85/384783485.db2.gz JDJHORAIBCNNKH-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000310012546 384784347 /nfs/dbraw/zinc/78/43/47/384784347.db2.gz JEUCCRJXAVOAAX-UPJWGTAASA-N 2 1 228.380 1.731 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330095 384792503 /nfs/dbraw/zinc/79/25/03/384792503.db2.gz QMNHRBYAQXCAFP-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330095 384792507 /nfs/dbraw/zinc/79/25/07/384792507.db2.gz QMNHRBYAQXCAFP-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP CCCC[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000105861924 384804885 /nfs/dbraw/zinc/80/48/85/384804885.db2.gz BSPOUPPXTLHYMS-UHFFFAOYSA-N 2 1 228.380 1.423 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000042466483 384814648 /nfs/dbraw/zinc/81/46/48/384814648.db2.gz VSSMFRZEVFEYCB-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000423360023 384837231 /nfs/dbraw/zinc/83/72/31/384837231.db2.gz FEKHHSIMUTYGAX-SDDRHHMPSA-N 2 1 236.363 1.649 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH3+] ZINC000398220693 384850646 /nfs/dbraw/zinc/85/06/46/384850646.db2.gz WBSQUPZULSSWSX-UKRRQHHQSA-N 2 1 247.386 1.445 20 0 BDADMP CCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCC)CC1 ZINC000370782201 384854638 /nfs/dbraw/zinc/85/46/38/384854638.db2.gz RZUYTUKRWZABEK-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175726745 384951617 /nfs/dbraw/zinc/95/16/17/384951617.db2.gz HNOYXUSXEGZNQP-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175726745 384951625 /nfs/dbraw/zinc/95/16/25/384951625.db2.gz HNOYXUSXEGZNQP-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175726745 384951629 /nfs/dbraw/zinc/95/16/29/384951629.db2.gz HNOYXUSXEGZNQP-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP COc1cc([C@@H](C)NC[C@H]2CCC[N@@H+]2C)ccn1 ZINC000564660550 384940158 /nfs/dbraw/zinc/94/01/58/384940158.db2.gz KGGRTHTUEQHPEM-DGCLKSJQSA-N 2 1 249.358 1.835 20 0 BDADMP COc1cc([C@H](C)NC[C@H]2CCC[N@@H+]2C)ccn1 ZINC000564660551 384941058 /nfs/dbraw/zinc/94/10/58/384941058.db2.gz KGGRTHTUEQHPEM-WCQYABFASA-N 2 1 249.358 1.835 20 0 BDADMP Cc1ccccc1CNC[C@H]1C[NH2+]CCO1 ZINC000258893610 384943904 /nfs/dbraw/zinc/94/39/04/384943904.db2.gz KGUOBAZVNWEBSO-CYBMUJFWSA-N 2 1 220.316 1.073 20 0 BDADMP CC[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1C ZINC000644573769 384975829 /nfs/dbraw/zinc/97/58/29/384975829.db2.gz KDNUJYOFNYSNEK-GFCCVEGCSA-N 2 1 225.336 1.332 20 0 BDADMP COC[C@H]1CCCC[N@@H+](CCn2ccnc2)C1 ZINC000364125190 385021595 /nfs/dbraw/zinc/02/15/95/385021595.db2.gz IMQWNHMMXOMRCT-ZDUSSCGKSA-N 2 1 237.347 1.632 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)sn1 ZINC000404415899 384980307 /nfs/dbraw/zinc/98/03/07/384980307.db2.gz NSDSBGUVBVNBPN-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)sn1 ZINC000404415899 384980312 /nfs/dbraw/zinc/98/03/12/384980312.db2.gz NSDSBGUVBVNBPN-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1cnccn1 ZINC000402587754 384999482 /nfs/dbraw/zinc/99/94/82/384999482.db2.gz IYUYDDGABAFWAK-UHFFFAOYSA-N 2 1 248.374 1.483 20 0 BDADMP C[N@H+]1CCC[C@H](CNCc2ccns2)C1 ZINC000404466613 385014105 /nfs/dbraw/zinc/01/41/05/385014105.db2.gz XVXHYTUMCLKFKM-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP CCSCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000130010514 385017584 /nfs/dbraw/zinc/01/75/84/385017584.db2.gz QSMNEHRKMKLQJO-NSHDSACASA-N 2 1 216.394 1.800 20 0 BDADMP C([C@H]1CCOC1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435462 385019839 /nfs/dbraw/zinc/01/98/39/385019839.db2.gz ZFNONOWLHVGJMS-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)NC(C)(C)C ZINC000404765793 385054143 /nfs/dbraw/zinc/05/41/43/385054143.db2.gz GEJWOSLBHDPZPN-GUBZILKMSA-N 2 1 241.379 1.005 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)C1 ZINC000300930199 385055895 /nfs/dbraw/zinc/05/58/95/385055895.db2.gz QXAYOJNPSRTURZ-FRRDWIJNSA-N 2 1 228.380 1.859 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)C1 ZINC000300930199 385055900 /nfs/dbraw/zinc/05/59/00/385055900.db2.gz QXAYOJNPSRTURZ-FRRDWIJNSA-N 2 1 228.380 1.859 20 0 BDADMP Cc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000226955674 385072781 /nfs/dbraw/zinc/07/27/81/385072781.db2.gz GMLHJVCMILZDLF-JQWIXIFHSA-N 2 1 234.347 1.657 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000644664429 385075454 /nfs/dbraw/zinc/07/54/54/385075454.db2.gz NQBUGTRRMCXBNL-UBHSHLNASA-N 2 1 238.375 1.077 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000644664429 385075463 /nfs/dbraw/zinc/07/54/63/385075463.db2.gz NQBUGTRRMCXBNL-UBHSHLNASA-N 2 1 238.375 1.077 20 0 BDADMP Cc1cc(NC[C@@H](C)C[NH+](C)C)nc(C)[nH+]1 ZINC000291875480 385030776 /nfs/dbraw/zinc/03/07/76/385030776.db2.gz NWNFSTNEHXFLIH-SECBINFHSA-N 2 1 222.336 1.703 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000308738259 385046417 /nfs/dbraw/zinc/04/64/17/385046417.db2.gz MXNHPQFVWZTKFT-GARJFASQSA-N 2 1 216.394 1.668 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000308738259 385046423 /nfs/dbraw/zinc/04/64/23/385046423.db2.gz MXNHPQFVWZTKFT-GARJFASQSA-N 2 1 216.394 1.668 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000308738261 385047039 /nfs/dbraw/zinc/04/70/39/385047039.db2.gz MXNHPQFVWZTKFT-VWYCJHECSA-N 2 1 216.394 1.668 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000308738261 385047043 /nfs/dbraw/zinc/04/70/43/385047043.db2.gz MXNHPQFVWZTKFT-VWYCJHECSA-N 2 1 216.394 1.668 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000061572934 385121811 /nfs/dbraw/zinc/12/18/11/385121811.db2.gz DFYLGDZDOQBJOX-LLVKDONJSA-N 2 1 214.378 1.566 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCSC)C1 ZINC000177839574 385124905 /nfs/dbraw/zinc/12/49/05/385124905.db2.gz YJWQPNOSRWDJHO-LLVKDONJSA-N 2 1 216.394 1.623 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCSC)C1 ZINC000177839574 385124915 /nfs/dbraw/zinc/12/49/15/385124915.db2.gz YJWQPNOSRWDJHO-LLVKDONJSA-N 2 1 216.394 1.623 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCSC)C1 ZINC000177839574 385124924 /nfs/dbraw/zinc/12/49/24/385124924.db2.gz YJWQPNOSRWDJHO-LLVKDONJSA-N 2 1 216.394 1.623 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000305173926 385201467 /nfs/dbraw/zinc/20/14/67/385201467.db2.gz UUSNHWVYFAGYAB-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP C[NH+](C)C[C@](C)(O)C[NH2+]C/C=C\c1ccccc1 ZINC000310649877 385143039 /nfs/dbraw/zinc/14/30/39/385143039.db2.gz PIFQQLJQHNJABH-YYRKOSNBSA-N 2 1 248.370 1.602 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C1CCC1 ZINC000177987418 385164337 /nfs/dbraw/zinc/16/43/37/385164337.db2.gz AUXBSXSKUWPZEO-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP OC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000342810208 385167843 /nfs/dbraw/zinc/16/78/43/385167843.db2.gz PGYOZXJGQZOJOC-STQMWFEESA-N 2 1 238.375 1.508 20 0 BDADMP CCOC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000044688334 385218101 /nfs/dbraw/zinc/21/81/01/385218101.db2.gz MJOSHONAGJERKH-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252729643 385235146 /nfs/dbraw/zinc/23/51/46/385235146.db2.gz HQKKGJKWHZXJBV-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252729643 385235152 /nfs/dbraw/zinc/23/51/52/385235152.db2.gz HQKKGJKWHZXJBV-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOCC2)CC[N@@H+]1C ZINC000157699819 385254343 /nfs/dbraw/zinc/25/43/43/385254343.db2.gz XLUWXPHBPZDUSA-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOCC2)CC[N@H+]1C ZINC000157699819 385254348 /nfs/dbraw/zinc/25/43/48/385254348.db2.gz XLUWXPHBPZDUSA-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP OCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157903084 385303992 /nfs/dbraw/zinc/30/39/92/385303992.db2.gz QXHPLKBNBOBDOP-QWHCGFSZSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C2CCOCC2)CC1 ZINC000308967029 385318428 /nfs/dbraw/zinc/31/84/28/385318428.db2.gz WLMXRNGSHQJVQU-UHFFFAOYSA-N 2 1 210.321 1.017 20 0 BDADMP COc1c(C)c[nH+]c(CN2CCC[NH2+]CC2)c1C ZINC000019844380 385259488 /nfs/dbraw/zinc/25/94/88/385259488.db2.gz VGLABDLZTOSWBI-UHFFFAOYSA-N 2 1 249.358 1.502 20 0 BDADMP CN(Cc1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000130770477 385285376 /nfs/dbraw/zinc/28/53/76/385285376.db2.gz VICMOFFCWIPQJF-CQSZACIVSA-N 2 1 233.359 1.855 20 0 BDADMP C[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000130770477 385285381 /nfs/dbraw/zinc/28/53/81/385285381.db2.gz VICMOFFCWIPQJF-CQSZACIVSA-N 2 1 233.359 1.855 20 0 BDADMP C[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000130770477 385285386 /nfs/dbraw/zinc/28/53/86/385285386.db2.gz VICMOFFCWIPQJF-CQSZACIVSA-N 2 1 233.359 1.855 20 0 BDADMP C[NH+](Cc1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000130770477 385285387 /nfs/dbraw/zinc/28/53/87/385285387.db2.gz VICMOFFCWIPQJF-CQSZACIVSA-N 2 1 233.359 1.855 20 0 BDADMP C[NH+](Cc1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000130770477 385285393 /nfs/dbraw/zinc/28/53/93/385285393.db2.gz VICMOFFCWIPQJF-CQSZACIVSA-N 2 1 233.359 1.855 20 0 BDADMP Cc1cccc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000158170156 385357185 /nfs/dbraw/zinc/35/71/85/385357185.db2.gz SFUYQJSXIFXEMA-GFCCVEGCSA-N 2 1 223.320 1.115 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000647496547 385389812 /nfs/dbraw/zinc/38/98/12/385389812.db2.gz SXPLKBWGRFSJQX-CMPLNLGQSA-N 2 1 234.347 1.053 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000228202976 385361997 /nfs/dbraw/zinc/36/19/97/385361997.db2.gz NCHNAJDICIPVKV-KWQFWETISA-N 2 1 239.388 1.929 20 0 BDADMP Cc1cncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000299932448 385328303 /nfs/dbraw/zinc/32/83/03/385328303.db2.gz YHTRSBVMKSCJRN-ZNMIVQPWSA-N 2 1 245.370 1.949 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2c(C)n[nH]c2C)CC[C@@H]1[NH3+] ZINC000647498210 385415030 /nfs/dbraw/zinc/41/50/30/385415030.db2.gz CPAZUZDFDUGZEU-YPMHNXCESA-N 2 1 236.363 1.586 20 0 BDADMP CO[C@H](C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000182056035 385428686 /nfs/dbraw/zinc/42/86/86/385428686.db2.gz LZFXFIAQOPZHFG-SNVBAGLBSA-N 2 1 200.326 1.047 20 0 BDADMP C=Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000194343265 385432121 /nfs/dbraw/zinc/43/21/21/385432121.db2.gz RJVJGYTZYQHLQV-UHFFFAOYSA-N 2 1 248.374 1.949 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257745229 385496769 /nfs/dbraw/zinc/49/67/69/385496769.db2.gz ZOBYPZWTSWLLOR-KGLIPLIRSA-N 2 1 238.375 1.631 20 0 BDADMP C[N@H+](C[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000367705415 385538122 /nfs/dbraw/zinc/53/81/22/385538122.db2.gz MNLPIEBLHFCUGF-NSHDSACASA-N 2 1 219.332 1.930 20 0 BDADMP C[N@@H+](C[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000367705415 385538125 /nfs/dbraw/zinc/53/81/25/385538125.db2.gz MNLPIEBLHFCUGF-NSHDSACASA-N 2 1 219.332 1.930 20 0 BDADMP CC[N@H+](CC[NH3+])CC1(OC)CCCC1 ZINC000319012444 385539858 /nfs/dbraw/zinc/53/98/58/385539858.db2.gz GHPYZCNUDGXSAK-UHFFFAOYSA-N 2 1 200.326 1.226 20 0 BDADMP CC[N@@H+](CC[NH3+])CC1(OC)CCCC1 ZINC000319012444 385539861 /nfs/dbraw/zinc/53/98/61/385539861.db2.gz GHPYZCNUDGXSAK-UHFFFAOYSA-N 2 1 200.326 1.226 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309340998 385541223 /nfs/dbraw/zinc/54/12/23/385541223.db2.gz KQMXDFIIXMRCLB-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000309352729 385549056 /nfs/dbraw/zinc/54/90/56/385549056.db2.gz MSMWLRONNUEPRL-SNVBAGLBSA-N 2 1 225.336 1.595 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000173309671 385553799 /nfs/dbraw/zinc/55/37/99/385553799.db2.gz JPFTUPAVARCIDX-LLVKDONJSA-N 2 1 214.353 1.484 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NCCC[NH3+])c2c1C ZINC000647703895 385576488 /nfs/dbraw/zinc/57/64/88/385576488.db2.gz MVOKIASQUQYPGE-UHFFFAOYSA-N 2 1 219.292 1.335 20 0 BDADMP C[C@H](C[NH3+])[N@H+](C)CCCOCc1ccccc1 ZINC000306914937 385641963 /nfs/dbraw/zinc/64/19/63/385641963.db2.gz SWLHUTMBIGXJGK-CYBMUJFWSA-N 2 1 236.359 1.872 20 0 BDADMP C[C@H](C[NH3+])[N@@H+](C)CCCOCc1ccccc1 ZINC000306914937 385641969 /nfs/dbraw/zinc/64/19/69/385641969.db2.gz SWLHUTMBIGXJGK-CYBMUJFWSA-N 2 1 236.359 1.872 20 0 BDADMP CCN1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000414851301 385649896 /nfs/dbraw/zinc/64/98/96/385649896.db2.gz IYTAPQWFCWUDHR-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000414851301 385649898 /nfs/dbraw/zinc/64/98/98/385649898.db2.gz IYTAPQWFCWUDHR-OLZOCXBDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1C ZINC000184530647 385676394 /nfs/dbraw/zinc/67/63/94/385676394.db2.gz VMSAFADAAIQHOA-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCSC2)CC1 ZINC000307455228 385689485 /nfs/dbraw/zinc/68/94/85/385689485.db2.gz CGLLFSHMEZGDSO-NSHDSACASA-N 2 1 212.362 1.343 20 0 BDADMP CCc1ncc(C[NH2+]CCC[NH2+]C)s1 ZINC000414858409 385734310 /nfs/dbraw/zinc/73/43/10/385734310.db2.gz IZHIPYQACBHXKY-UHFFFAOYSA-N 2 1 213.350 1.405 20 0 BDADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414858984 385734513 /nfs/dbraw/zinc/73/45/13/385734513.db2.gz AEKRGUPVJVTENX-YPMHNXCESA-N 2 1 226.364 1.533 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186501075 385762373 /nfs/dbraw/zinc/76/23/73/385762373.db2.gz QZWPCMXLBIOLFT-GDNMSKEOSA-N 2 1 226.364 1.386 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186501075 385762379 /nfs/dbraw/zinc/76/23/79/385762379.db2.gz QZWPCMXLBIOLFT-GDNMSKEOSA-N 2 1 226.364 1.386 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414943806 385775731 /nfs/dbraw/zinc/77/57/31/385775731.db2.gz MTDKSINHAFXLDR-VIFPVBQESA-N 2 1 233.290 1.811 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000310972363 385778796 /nfs/dbraw/zinc/77/87/96/385778796.db2.gz RLYOGDNZKLGVFY-ZIAGYGMSSA-N 2 1 248.374 1.416 20 0 BDADMP Cc1nccn1CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000161856318 385781310 /nfs/dbraw/zinc/78/13/10/385781310.db2.gz TXLZBHXLTYGYMI-CYBMUJFWSA-N 2 1 236.363 1.075 20 0 BDADMP CC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)OC ZINC000412977981 385825025 /nfs/dbraw/zinc/82/50/25/385825025.db2.gz OLRSFUNAKCPWSH-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CCCc1csc(C[NH2+]C[C@@H](C)C[NH3+])n1 ZINC000414870796 385850307 /nfs/dbraw/zinc/85/03/07/385850307.db2.gz CNXLYKOPWAIPJD-VIFPVBQESA-N 2 1 227.377 1.780 20 0 BDADMP CC1CC([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000414870690 385851033 /nfs/dbraw/zinc/85/10/33/385851033.db2.gz COXPRNSYCHMTCE-UHFFFAOYSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1noc([C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000647832473 385884049 /nfs/dbraw/zinc/88/40/49/385884049.db2.gz KQTXERKGICJQIO-IUCAKERBSA-N 2 1 238.335 1.498 20 0 BDADMP CC[C@@H]([NH3+])CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000294712587 385886437 /nfs/dbraw/zinc/88/64/37/385886437.db2.gz BNPJMHFQBIMJBI-CHWSQXEVSA-N 2 1 249.358 1.143 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000414961976 385890562 /nfs/dbraw/zinc/89/05/62/385890562.db2.gz ZLEPSDXVELHJAQ-FQUUOJAGSA-N 2 1 239.407 1.447 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000414961976 385890566 /nfs/dbraw/zinc/89/05/66/385890566.db2.gz ZLEPSDXVELHJAQ-FQUUOJAGSA-N 3 1 239.407 1.447 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000414961976 385890568 /nfs/dbraw/zinc/89/05/68/385890568.db2.gz ZLEPSDXVELHJAQ-FQUUOJAGSA-N 3 1 239.407 1.447 20 0 BDADMP CCc1cccc(OCC[N@@H+](C)CCC[NH3+])c1 ZINC000647849030 385901569 /nfs/dbraw/zinc/90/15/69/385901569.db2.gz FBEMBOUWEURVGO-UHFFFAOYSA-N 2 1 236.359 1.908 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CO ZINC000338255235 385929283 /nfs/dbraw/zinc/92/92/83/385929283.db2.gz YIRGXUAHWZCOQW-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CO ZINC000338255235 385929286 /nfs/dbraw/zinc/92/92/86/385929286.db2.gz YIRGXUAHWZCOQW-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000250953086 385929600 /nfs/dbraw/zinc/92/96/00/385929600.db2.gz IVEWLYKGGAHAHK-VXGBXAGGSA-N 2 1 249.358 1.581 20 0 BDADMP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC000127885295 385922848 /nfs/dbraw/zinc/92/28/48/385922848.db2.gz DHHFMQBKFHOLRR-NWDGAFQWSA-N 2 1 236.359 1.905 20 0 BDADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC000127885295 385922853 /nfs/dbraw/zinc/92/28/53/385922853.db2.gz DHHFMQBKFHOLRR-NWDGAFQWSA-N 2 1 236.359 1.905 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000414966848 385925068 /nfs/dbraw/zinc/92/50/68/385925068.db2.gz APVSOZJKQBNTSG-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)COCC1 ZINC000334502722 385925410 /nfs/dbraw/zinc/92/54/10/385925410.db2.gz JVKFQZDGRZKMCO-KGLIPLIRSA-N 2 1 236.359 1.550 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccncc1 ZINC000342104218 385926437 /nfs/dbraw/zinc/92/64/37/385926437.db2.gz NLUZPFSDZRGWRY-SNVBAGLBSA-N 2 1 205.305 1.614 20 0 BDADMP CCOCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815074 385869621 /nfs/dbraw/zinc/86/96/21/385869621.db2.gz OAQVMGVBTJNQKZ-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP CCN1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414961975 385882265 /nfs/dbraw/zinc/88/22/65/385882265.db2.gz JBYHKKSMYKUTKC-CYBMUJFWSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000414971648 385976429 /nfs/dbraw/zinc/97/64/29/385976429.db2.gz IMBFCRIDQDPLMT-RQJABVFESA-N 2 1 239.407 1.304 20 0 BDADMP CC[C@H](C[NH2+]CC1(C)COC1)[NH+]1CCCC1 ZINC000336747587 385978171 /nfs/dbraw/zinc/97/81/71/385978171.db2.gz XHNXHIMOSBGWPU-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000335018955 385978838 /nfs/dbraw/zinc/97/88/38/385978838.db2.gz XYKURWZWBFPYOB-AUXWQGHOSA-N 2 1 236.281 1.915 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000414132308 385979760 /nfs/dbraw/zinc/97/97/60/385979760.db2.gz AIXIVWYSMPLIMJ-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000414132308 385979761 /nfs/dbraw/zinc/97/97/61/385979761.db2.gz AIXIVWYSMPLIMJ-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000338304731 385952255 /nfs/dbraw/zinc/95/22/55/385952255.db2.gz HKSZJMHPXDWCAF-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C1 ZINC000414880170 385960427 /nfs/dbraw/zinc/96/04/27/385960427.db2.gz JRCJUDLIBVHHEI-YUMQZZPRSA-N 2 1 210.243 1.669 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@H]1C ZINC000414125422 385974573 /nfs/dbraw/zinc/97/45/73/385974573.db2.gz CXUPZBNVAGPTPC-FVCCEPFGSA-N 2 1 226.364 1.077 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H]1C ZINC000414125422 385974579 /nfs/dbraw/zinc/97/45/79/385974579.db2.gz CXUPZBNVAGPTPC-FVCCEPFGSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)O1 ZINC000309256107 385997166 /nfs/dbraw/zinc/99/71/66/385997166.db2.gz GKCQIWUERKJXDV-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000414882999 386026388 /nfs/dbraw/zinc/02/63/88/386026388.db2.gz NEOTYQUVIMYQBF-UTUOFQBUSA-N 2 1 212.337 1.142 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 ZINC000414882997 386026803 /nfs/dbraw/zinc/02/68/03/386026803.db2.gz NEOTYQUVIMYQBF-TUAOUCFPSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nc1 ZINC000222185307 386035697 /nfs/dbraw/zinc/03/56/97/386035697.db2.gz IONTYXJHCGTPPS-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nc1 ZINC000222185307 386035705 /nfs/dbraw/zinc/03/57/05/386035705.db2.gz IONTYXJHCGTPPS-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)C[NH+](C)C ZINC000291759730 386038303 /nfs/dbraw/zinc/03/83/03/386038303.db2.gz RGVHYOUQTZAQKT-LLVKDONJSA-N 2 1 249.358 1.073 20 0 BDADMP CCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343274796 386040875 /nfs/dbraw/zinc/04/08/75/386040875.db2.gz WTRWTVXICVOYKP-MGPQQGTHSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129105627 386049872 /nfs/dbraw/zinc/04/98/72/386049872.db2.gz ZYRFIKIQNONVFH-UONOGXRCSA-N 2 1 239.407 1.593 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCOC2)CC[N@H+]1C ZINC000336728134 386051718 /nfs/dbraw/zinc/05/17/18/386051718.db2.gz CIUYYDMVPBTAFL-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414663669 386110206 /nfs/dbraw/zinc/11/02/06/386110206.db2.gz BQIGHBNQAIERCT-ZDUSSCGKSA-N 3 1 227.396 1.291 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000414665784 386114470 /nfs/dbraw/zinc/11/44/70/386114470.db2.gz FSXVTXWWVQQYBO-AAEUAGOBSA-N 3 1 227.396 1.419 20 0 BDADMP CCCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666172 386116800 /nfs/dbraw/zinc/11/68/00/386116800.db2.gz FWXYHRVGHBGOGE-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP C[NH2+]CCC1CC[NH+](CC2(CN)CC2)CC1 ZINC000414667318 386120578 /nfs/dbraw/zinc/12/05/78/386120578.db2.gz YGSCNFLLYDQYKN-UHFFFAOYSA-N 2 1 225.380 1.047 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000189671501 386058802 /nfs/dbraw/zinc/05/88/02/386058802.db2.gz VJBQEEIQVLEXDQ-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(CO)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000189671501 386058804 /nfs/dbraw/zinc/05/88/04/386058804.db2.gz VJBQEEIQVLEXDQ-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(CO)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000189671501 386058809 /nfs/dbraw/zinc/05/88/09/386058809.db2.gz VJBQEEIQVLEXDQ-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414651753 386073245 /nfs/dbraw/zinc/07/32/45/386073245.db2.gz GDBKRLJNFOJCQL-MJBXVCDLSA-N 3 1 239.407 1.306 20 0 BDADMP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414982536 386075231 /nfs/dbraw/zinc/07/52/31/386075231.db2.gz YXQXSPDNOIGOMT-OLZOCXBDSA-N 2 1 227.396 1.162 20 0 BDADMP CO[C@H](C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404140 386077221 /nfs/dbraw/zinc/07/72/21/386077221.db2.gz OUJYRWYDGFKLSK-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H](C)O1 ZINC000414283782 386093627 /nfs/dbraw/zinc/09/36/27/386093627.db2.gz PPTLWAXPVGQFNC-DHGKCCLASA-N 2 1 240.391 1.872 20 0 BDADMP c1cc(CCC[NH2+][C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000414888500 386100266 /nfs/dbraw/zinc/10/02/66/386100266.db2.gz SAPNWOGZIRYFHP-CQSZACIVSA-N 2 1 246.354 1.506 20 0 BDADMP OCC[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647877554 386151339 /nfs/dbraw/zinc/15/13/39/386151339.db2.gz VACIOENEZDJRBK-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000425482443 386153176 /nfs/dbraw/zinc/15/31/76/386153176.db2.gz QSJVNYVQWBFNBO-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP [NH3+][C@@H](C[NH2+]Cc1cccc2c1NCC2)C1CC1 ZINC000414893051 386155857 /nfs/dbraw/zinc/15/58/57/386155857.db2.gz QWNTZIACVSGVEP-ZDUSSCGKSA-N 2 1 231.343 1.482 20 0 BDADMP CC(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000308826367 386164003 /nfs/dbraw/zinc/16/40/03/386164003.db2.gz DSTXBNILFVKTMR-UHFFFAOYSA-N 2 1 227.377 1.950 20 0 BDADMP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336722758 386165273 /nfs/dbraw/zinc/16/52/73/386165273.db2.gz TVCZETOLZBOQGQ-CYBMUJFWSA-N 2 1 240.391 1.610 20 0 BDADMP COC(=O)c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414894926 386179871 /nfs/dbraw/zinc/17/98/71/386179871.db2.gz LZQFITOZJPGTSA-CYBMUJFWSA-N 2 1 248.326 1.300 20 0 BDADMP C[C@@H]1C[C@@H](N(C)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000414692633 386183613 /nfs/dbraw/zinc/18/36/13/386183613.db2.gz CYNCVMQBVQWEAC-OLZOCXBDSA-N 2 1 241.423 1.789 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nn1C ZINC000414668169 386125660 /nfs/dbraw/zinc/12/56/60/386125660.db2.gz ZLSFUJWWTMYOPN-YUTCNCBUSA-N 2 1 248.374 1.288 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nn1C ZINC000414668169 386125663 /nfs/dbraw/zinc/12/56/63/386125663.db2.gz ZLSFUJWWTMYOPN-YUTCNCBUSA-N 2 1 248.374 1.288 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414674861 386142161 /nfs/dbraw/zinc/14/21/61/386142161.db2.gz SGHWCVMTBJLHJC-SDDRHHMPSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414674861 386142167 /nfs/dbraw/zinc/14/21/67/386142167.db2.gz SGHWCVMTBJLHJC-SDDRHHMPSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414674861 386142172 /nfs/dbraw/zinc/14/21/72/386142172.db2.gz SGHWCVMTBJLHJC-SDDRHHMPSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414674861 386142177 /nfs/dbraw/zinc/14/21/77/386142177.db2.gz SGHWCVMTBJLHJC-SDDRHHMPSA-N 2 1 234.347 1.277 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000414697640 386202484 /nfs/dbraw/zinc/20/24/84/386202484.db2.gz CJTKEZWTOYSOME-RDBSUJKOSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000414697640 386202486 /nfs/dbraw/zinc/20/24/86/386202486.db2.gz CJTKEZWTOYSOME-RDBSUJKOSA-N 2 1 242.407 1.843 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347064652 386211672 /nfs/dbraw/zinc/21/16/72/386211672.db2.gz ZMKFVQKQRZTPPK-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347064652 386211675 /nfs/dbraw/zinc/21/16/75/386211675.db2.gz ZMKFVQKQRZTPPK-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347064652 386211679 /nfs/dbraw/zinc/21/16/79/386211679.db2.gz ZMKFVQKQRZTPPK-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347064652 386211684 /nfs/dbraw/zinc/21/16/84/386211684.db2.gz ZMKFVQKQRZTPPK-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP COC(=O)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414706273 386219883 /nfs/dbraw/zinc/21/98/83/386219883.db2.gz LKAQPSNMAZRHPK-MNOVXSKESA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@@H]1NCC[NH+]1CCCCCC1 ZINC000343195056 386237881 /nfs/dbraw/zinc/23/78/81/386237881.db2.gz ZSBMVUMVIULPOX-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC[NH+]1CCCCCC1 ZINC000343195056 386237887 /nfs/dbraw/zinc/23/78/87/386237887.db2.gz ZSBMVUMVIULPOX-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP COC(=O)[C@@]1(C)CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414714085 386238779 /nfs/dbraw/zinc/23/87/79/386238779.db2.gz WZBYINXMVXJPGA-AAEUAGOBSA-N 2 1 242.363 1.245 20 0 BDADMP COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414714085 386238783 /nfs/dbraw/zinc/23/87/83/386238783.db2.gz WZBYINXMVXJPGA-AAEUAGOBSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H](O)C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000647884068 386251898 /nfs/dbraw/zinc/25/18/98/386251898.db2.gz CUZABZIFKNEQHA-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414719362 386252722 /nfs/dbraw/zinc/25/27/22/386252722.db2.gz XZMUIILOPTULSV-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414719362 386252726 /nfs/dbraw/zinc/25/27/26/386252726.db2.gz XZMUIILOPTULSV-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP CCSCC[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000414698534 386199481 /nfs/dbraw/zinc/19/94/81/386199481.db2.gz CYBUCAFRKPHBQE-SNVBAGLBSA-N 2 1 204.383 1.799 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414900645 386280483 /nfs/dbraw/zinc/28/04/83/386280483.db2.gz WHSZBXUFOOHFJV-ZDUSSCGKSA-N 2 1 204.317 1.822 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885772 386285969 /nfs/dbraw/zinc/28/59/69/386285969.db2.gz OMXNPAQXFVMKGP-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000236649353 386296664 /nfs/dbraw/zinc/29/66/64/386296664.db2.gz GINDQIBPYMWFRR-ZDUSSCGKSA-N 2 1 249.358 1.143 20 0 BDADMP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415005746 386304182 /nfs/dbraw/zinc/30/41/82/386304182.db2.gz JOQIDYVYUHRXMK-UWVGGRQHSA-N 2 1 236.315 1.299 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000335266633 386304997 /nfs/dbraw/zinc/30/49/97/386304997.db2.gz BVTPCLQBRZXIPV-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000335266633 386304999 /nfs/dbraw/zinc/30/49/99/386304999.db2.gz BVTPCLQBRZXIPV-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414901563 386307764 /nfs/dbraw/zinc/30/77/64/386307764.db2.gz GEMXWHOYWSOVIQ-MCIONIFRSA-N 3 1 239.407 1.496 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000414739957 386312789 /nfs/dbraw/zinc/31/27/89/386312789.db2.gz CNBXCFBUOUEVRA-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000414739957 386312793 /nfs/dbraw/zinc/31/27/93/386312793.db2.gz CNBXCFBUOUEVRA-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414900080 386268497 /nfs/dbraw/zinc/26/84/97/386268497.db2.gz VNGJLTKSQRHYST-CQSZACIVSA-N 2 1 234.343 1.912 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336682271 386342013 /nfs/dbraw/zinc/34/20/13/386342013.db2.gz JIZAJPNDZDJXSE-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@@H](C)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000336682271 386342017 /nfs/dbraw/zinc/34/20/17/386342017.db2.gz JIZAJPNDZDJXSE-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@@H](C)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000336682271 386342024 /nfs/dbraw/zinc/34/20/24/386342024.db2.gz JIZAJPNDZDJXSE-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336682771 386342082 /nfs/dbraw/zinc/34/20/82/386342082.db2.gz FDABTLCNCJDMGS-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336682272 386342381 /nfs/dbraw/zinc/34/23/81/386342381.db2.gz DCSVBYNZANCCEL-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336682272 386342386 /nfs/dbraw/zinc/34/23/86/386342386.db2.gz DCSVBYNZANCCEL-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336682272 386342390 /nfs/dbraw/zinc/34/23/90/386342390.db2.gz DCSVBYNZANCCEL-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCCCCO)CC[NH2+]1 ZINC000414745580 386352619 /nfs/dbraw/zinc/35/26/19/386352619.db2.gz PMGALBBFCDOWLC-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336691852 386362971 /nfs/dbraw/zinc/36/29/71/386362971.db2.gz CLHBKWRFYWRORB-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336691852 386362975 /nfs/dbraw/zinc/36/29/75/386362975.db2.gz CLHBKWRFYWRORB-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336691852 386362983 /nfs/dbraw/zinc/36/29/83/386362983.db2.gz CLHBKWRFYWRORB-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCCn1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000414902816 386326753 /nfs/dbraw/zinc/32/67/53/386326753.db2.gz IOTQUCPHFJSBKK-CYBMUJFWSA-N 2 1 236.363 1.525 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336754444 386439855 /nfs/dbraw/zinc/43/98/55/386439855.db2.gz HIBQMXHUHBQYMI-IJLUTSLNSA-N 2 1 214.353 1.484 20 0 BDADMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000094074767 386443225 /nfs/dbraw/zinc/44/32/25/386443225.db2.gz ZBADIKPHHUPWDI-GFCCVEGCSA-N 2 1 229.327 1.662 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414753674 386388610 /nfs/dbraw/zinc/38/86/10/386388610.db2.gz QPLUXLMVDWURAZ-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414907539 386391110 /nfs/dbraw/zinc/39/11/10/386391110.db2.gz QMEUREHCHHECLQ-GFCCVEGCSA-N 2 1 236.363 1.269 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336704244 386393169 /nfs/dbraw/zinc/39/31/69/386393169.db2.gz PTAFEPPPCQQHOD-JHJVBQTASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414757454 386402486 /nfs/dbraw/zinc/40/24/86/386402486.db2.gz LDUXQYWMKZZYJT-YIYPIFLZSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCO1 ZINC000336732713 386402588 /nfs/dbraw/zinc/40/25/88/386402588.db2.gz FZYTUWRPYOMIOV-YPMHNXCESA-N 2 1 224.348 1.405 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000414757451 386403332 /nfs/dbraw/zinc/40/33/32/386403332.db2.gz LDUXQYWMKZZYJT-AAVRWANBSA-N 2 1 239.407 1.399 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000299073666 386409143 /nfs/dbraw/zinc/40/91/43/386409143.db2.gz VIVUJJSCPCOLAP-UHFFFAOYSA-N 2 1 247.346 1.711 20 0 BDADMP COCC[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647991127 386409350 /nfs/dbraw/zinc/40/93/50/386409350.db2.gz AWJYLKWSHQQHQG-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC[C@H]2CCCO2)CC[NH2+]1 ZINC000414759965 386413771 /nfs/dbraw/zinc/41/37/71/386413771.db2.gz PMEINXCSWQWPLN-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(O)CCCC2)C1 ZINC000336707716 386414474 /nfs/dbraw/zinc/41/44/74/386414474.db2.gz HMYHKABDRGEOAI-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000336707716 386414482 /nfs/dbraw/zinc/41/44/82/386414482.db2.gz HMYHKABDRGEOAI-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(O)CCCC2)C1 ZINC000336707716 386414489 /nfs/dbraw/zinc/41/44/89/386414489.db2.gz HMYHKABDRGEOAI-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1ccc(CCC[N@@H+]2CCC[NH2+]CC2)cn1 ZINC000339406333 386417405 /nfs/dbraw/zinc/41/74/05/386417405.db2.gz GHQLGNGJHJFNQD-UHFFFAOYSA-N 2 1 233.359 1.618 20 0 BDADMP Cc1ccc(CCC[N@H+]2CCC[NH2+]CC2)cn1 ZINC000339406333 386417410 /nfs/dbraw/zinc/41/74/10/386417410.db2.gz GHQLGNGJHJFNQD-UHFFFAOYSA-N 2 1 233.359 1.618 20 0 BDADMP CC[N@@H+](CCn1ccnc1C)C[C@@H]1CCCO1 ZINC000336710304 386426377 /nfs/dbraw/zinc/42/63/77/386426377.db2.gz QNFLWJWSFYCZQC-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)C[C@@H]1CCCO1 ZINC000336710304 386426384 /nfs/dbraw/zinc/42/63/84/386426384.db2.gz QNFLWJWSFYCZQC-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP C[N@H+](Cc1cccc(C(N)=O)c1)CC(C)(C)C[NH3+] ZINC000093873948 386431372 /nfs/dbraw/zinc/43/13/72/386431372.db2.gz JJDGEBHNWRLQLY-UHFFFAOYSA-N 2 1 249.358 1.202 20 0 BDADMP C[N@@H+](Cc1cccc(C(N)=O)c1)CC(C)(C)C[NH3+] ZINC000093873948 386431375 /nfs/dbraw/zinc/43/13/75/386431375.db2.gz JJDGEBHNWRLQLY-UHFFFAOYSA-N 2 1 249.358 1.202 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336732726 386469274 /nfs/dbraw/zinc/46/92/74/386469274.db2.gz ZTIQETXGFGDPML-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000062053646 386489345 /nfs/dbraw/zinc/48/93/45/386489345.db2.gz KHOTZERNNRBJNQ-ZWNOBZJWSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000062053646 386489369 /nfs/dbraw/zinc/48/93/69/386489369.db2.gz KHOTZERNNRBJNQ-ZWNOBZJWSA-N 2 1 219.332 1.559 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCCC1 ZINC000415043622 386529296 /nfs/dbraw/zinc/52/92/96/386529296.db2.gz ASINIUGOTVTLMM-UXUKBGGZSA-N 3 1 239.407 1.611 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415043018 386529708 /nfs/dbraw/zinc/52/97/08/386529708.db2.gz RCOQHDFFOSDMAW-AWEZNQCLSA-N 2 1 234.343 1.463 20 0 BDADMP [NH3+]CCC[C@H]([NH2+][C@H]1CCCNC1)c1ccccc1 ZINC000415050608 386505982 /nfs/dbraw/zinc/50/59/82/386505982.db2.gz IVITYBSQMSHLIO-GJZGRUSLSA-N 2 1 247.386 1.808 20 0 BDADMP c1cn2c(n1)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000062252822 386506389 /nfs/dbraw/zinc/50/63/89/386506389.db2.gz CCUNPZXCYIPGQY-UHFFFAOYSA-N 2 1 234.347 1.088 20 0 BDADMP c1cn2c(n1)C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000062252822 386506395 /nfs/dbraw/zinc/50/63/95/386506395.db2.gz CCUNPZXCYIPGQY-UHFFFAOYSA-N 2 1 234.347 1.088 20 0 BDADMP Fc1ccc(/C=C\C[NH2+]C2[C@H]3C[NH2+]C[C@@H]23)cc1 ZINC000415020486 386510722 /nfs/dbraw/zinc/51/07/22/386510722.db2.gz BANCNDOLJUZICB-RNKNSTMBSA-N 2 1 232.302 1.646 20 0 BDADMP Cc1[nH+]ccn1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000335446780 386512499 /nfs/dbraw/zinc/51/24/99/386512499.db2.gz LKYUISPPDSWFAO-HAQNSBGRSA-N 2 1 207.321 1.957 20 0 BDADMP CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339664397 386512803 /nfs/dbraw/zinc/51/28/03/386512803.db2.gz CDVRIWYHYDFADR-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339664397 386512807 /nfs/dbraw/zinc/51/28/07/386512807.db2.gz CDVRIWYHYDFADR-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339664397 386512810 /nfs/dbraw/zinc/51/28/10/386512810.db2.gz CDVRIWYHYDFADR-FUNVUKJBSA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448073 386517881 /nfs/dbraw/zinc/51/78/81/386517881.db2.gz LRWFAAXFMMVHGU-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@H](C[N@H+](C)C2CCNCC2)CC[NH2+]1 ZINC000335448073 386517883 /nfs/dbraw/zinc/51/78/83/386517883.db2.gz LRWFAAXFMMVHGU-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)C2CCNCC2)CC[NH2+]1 ZINC000335448073 386517887 /nfs/dbraw/zinc/51/78/87/386517887.db2.gz LRWFAAXFMMVHGU-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H](CC1CCCCC1)C[N@H+](CC[NH3+])CCO ZINC000414916019 386522652 /nfs/dbraw/zinc/52/26/52/386522652.db2.gz RUTFCMHKBDUPEI-ZDUSSCGKSA-N 2 1 242.407 1.846 20 0 BDADMP C[C@@H](CC1CCCCC1)C[N@@H+](CC[NH3+])CCO ZINC000414916019 386522658 /nfs/dbraw/zinc/52/26/58/386522658.db2.gz RUTFCMHKBDUPEI-ZDUSSCGKSA-N 2 1 242.407 1.846 20 0 BDADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042049 386527850 /nfs/dbraw/zinc/52/78/50/386527850.db2.gz SBSVDBQYOVPACT-FICVDOATSA-N 2 1 228.339 1.871 20 0 BDADMP C(C[N@@H+]1CCN2CCCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000094440698 386453270 /nfs/dbraw/zinc/45/32/70/386453270.db2.gz YTWZVWYPEHKWGM-KBPBESRZSA-N 2 1 237.391 1.156 20 0 BDADMP C(C[N@H+]1CCN2CCCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000094440698 386453279 /nfs/dbraw/zinc/45/32/79/386453279.db2.gz YTWZVWYPEHKWGM-KBPBESRZSA-N 2 1 237.391 1.156 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414798977 386574978 /nfs/dbraw/zinc/57/49/78/386574978.db2.gz QTUXRISXIBZODJ-LLVKDONJSA-N 2 1 247.346 1.041 20 0 BDADMP COc1cccc(CCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000415077279 386576828 /nfs/dbraw/zinc/57/68/28/386576828.db2.gz HFMIMKLHWNFCFX-AWEZNQCLSA-N 2 1 248.370 1.969 20 0 BDADMP COc1cccc(CCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000415077280 386577805 /nfs/dbraw/zinc/57/78/05/386577805.db2.gz HFMIMKLHWNFCFX-CQSZACIVSA-N 2 1 248.370 1.969 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000414921299 386581035 /nfs/dbraw/zinc/58/10/35/386581035.db2.gz DJDSMMHDURODGZ-GMTAPVOTSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415080544 386590414 /nfs/dbraw/zinc/59/04/14/386590414.db2.gz YTESVKJAAUFNKP-NWDGAFQWSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047083 386533808 /nfs/dbraw/zinc/53/38/08/386533808.db2.gz AFEOQYYJQLYNQL-YIYPIFLZSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047083 386533811 /nfs/dbraw/zinc/53/38/11/386533811.db2.gz AFEOQYYJQLYNQL-YIYPIFLZSA-N 3 1 239.407 1.434 20 0 BDADMP Cc1ccc(C[NH2+][C@H](CN)C(C)(C)C)cn1 ZINC000415056052 386536274 /nfs/dbraw/zinc/53/62/74/386536274.db2.gz PGAZLVNEBYMWOR-GFCCVEGCSA-N 2 1 221.348 1.853 20 0 BDADMP c1cncc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000647995329 386537637 /nfs/dbraw/zinc/53/76/37/386537637.db2.gz OZKDJGMNQUKKIP-TZMCWYRMSA-N 2 1 231.343 1.480 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC000647995363 386539106 /nfs/dbraw/zinc/53/91/06/386539106.db2.gz RPIGZJNYKRHUMH-OLZOCXBDSA-N 3 1 237.391 1.060 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC[C@@H]1CCOC1)C1CCCC1 ZINC000415065466 386547027 /nfs/dbraw/zinc/54/70/27/386547027.db2.gz MSUVSBPPNOEJEY-DGCLKSJQSA-N 2 1 226.364 1.520 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCCOC1)C1CCCC1 ZINC000415067824 386549307 /nfs/dbraw/zinc/54/93/07/386549307.db2.gz PXMQTESJLDMTEV-YPMHNXCESA-N 2 1 226.364 1.520 20 0 BDADMP C[C@@H](C[NH2+][C@H](C)C[NH3+])Cc1ccccc1 ZINC000414922611 386597463 /nfs/dbraw/zinc/59/74/63/386597463.db2.gz CYQUDSRKCYOJFU-VXGBXAGGSA-N 2 1 206.333 1.802 20 0 BDADMP CC(C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000061918610 386556450 /nfs/dbraw/zinc/55/64/50/386556450.db2.gz UQIHCRKOSLDHMB-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000061918610 386556455 /nfs/dbraw/zinc/55/64/55/386556455.db2.gz UQIHCRKOSLDHMB-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000414808857 386625201 /nfs/dbraw/zinc/62/52/01/386625201.db2.gz UNDRCGPAXVOFKB-UHFFFAOYSA-N 2 1 249.358 1.393 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C1CCSCC1 ZINC000414810653 386630150 /nfs/dbraw/zinc/63/01/50/386630150.db2.gz ICYPXMYLSQJYRU-LLVKDONJSA-N 2 1 216.394 1.989 20 0 BDADMP C[C@@H](CO)[N@H+](CC[NH2+]C(C)(C)C)CC1CCC1 ZINC000415116169 386630158 /nfs/dbraw/zinc/63/01/58/386630158.db2.gz ZEXWMQNRSFANBR-LBPRGKRZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H](CO)[N@@H+](CC[NH2+]C(C)(C)C)CC1CCC1 ZINC000415116169 386630165 /nfs/dbraw/zinc/63/01/65/386630165.db2.gz ZEXWMQNRSFANBR-LBPRGKRZSA-N 2 1 242.407 1.857 20 0 BDADMP CN(C)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336782841 386652242 /nfs/dbraw/zinc/65/22/42/386652242.db2.gz YUEVNBVJUQYMAA-UHFFFAOYSA-N 2 1 227.396 1.401 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000414801838 386603822 /nfs/dbraw/zinc/60/38/22/386603822.db2.gz MIEVBNZTVPWAKO-SCZZXKLOSA-N 2 1 244.289 1.495 20 0 BDADMP CC(C)C[C@H]([NH3+])CNCC[N@@H+](C)C1CCCC1 ZINC000415087200 386606831 /nfs/dbraw/zinc/60/68/31/386606831.db2.gz VNJGSHMXKYUYAR-ZDUSSCGKSA-N 2 1 241.423 1.824 20 0 BDADMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000428119850 386661153 /nfs/dbraw/zinc/66/11/53/386661153.db2.gz JJYALWSVTMZAJC-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP C1C[C@@]2(CO1)CCC[N@H+]([C@@H]1CCC[NH2+]CC1)C2 ZINC000335525690 386669306 /nfs/dbraw/zinc/66/93/06/386669306.db2.gz PSBLZUOIWQIBSG-KGLIPLIRSA-N 2 1 238.375 1.631 20 0 BDADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[NH3+])CC2 ZINC000414926779 386674668 /nfs/dbraw/zinc/67/46/68/386674668.db2.gz KWXBKOXUIRDNNO-ZWNOBZJWSA-N 2 1 234.343 1.489 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000414824361 386683594 /nfs/dbraw/zinc/68/35/94/386683594.db2.gz KHGOZJCUEOEWDZ-NSHDSACASA-N 2 1 222.332 1.435 20 0 BDADMP CC[N@H+]1CC[C@H](NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000417382655 386691774 /nfs/dbraw/zinc/69/17/74/386691774.db2.gz OAXFWBBCONEAQH-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(N(C)C)CC2)[C@@H](C)C1 ZINC000417382655 386691782 /nfs/dbraw/zinc/69/17/82/386691782.db2.gz OAXFWBBCONEAQH-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(N(C)C)CC2)[C@@H](C)C1 ZINC000417382655 386691790 /nfs/dbraw/zinc/69/17/90/386691790.db2.gz OAXFWBBCONEAQH-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP COc1ccsc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414828323 386699024 /nfs/dbraw/zinc/69/90/24/386699024.db2.gz MCEIJAVLARRIPA-JTQLQIEISA-N 2 1 240.372 1.846 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+]CC[NH2+]C)CCO1 ZINC000414828950 386700132 /nfs/dbraw/zinc/70/01/32/386700132.db2.gz LQXDGDNGLHZHNT-GHMZBOCLSA-N 2 1 200.326 1.001 20 0 BDADMP CC[C@H]1C[C@H](C[NH2+]CC[NH2+]C)CCO1 ZINC000414828953 386702987 /nfs/dbraw/zinc/70/29/87/386702987.db2.gz LQXDGDNGLHZHNT-MNOVXSKESA-N 2 1 200.326 1.001 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCC1 ZINC000324953409 386704795 /nfs/dbraw/zinc/70/47/95/386704795.db2.gz CBZHHGRZNUTUIV-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830356 386704987 /nfs/dbraw/zinc/70/49/87/386704987.db2.gz AYFJCNCDVDTRLG-STQMWFEESA-N 2 1 228.380 1.909 20 0 BDADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357079858 386712235 /nfs/dbraw/zinc/71/22/35/386712235.db2.gz LPMCUGVRVLDIMR-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCC1 ZINC000325061427 386714706 /nfs/dbraw/zinc/71/47/06/386714706.db2.gz XIBFXUPVFWPLPG-CHWSQXEVSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(C[NH3+])CC1 ZINC000414832521 386718108 /nfs/dbraw/zinc/71/81/08/386718108.db2.gz DQXNFZZTTMFIHE-WXRRBKDZSA-N 3 1 227.396 1.467 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@H](C)C[NH2+]C)n1 ZINC000414839760 386745294 /nfs/dbraw/zinc/74/52/94/386745294.db2.gz MRRQMJPVZJRSCI-LLVKDONJSA-N 2 1 237.347 1.425 20 0 BDADMP CC[C@H]1CO[C@H](C)CN1CCn1ccnc1 ZINC000269100780 386752284 /nfs/dbraw/zinc/75/22/84/386752284.db2.gz OWNYUKUJNOLRJS-NEPJUHHUSA-N 2 1 223.320 1.382 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCC(F)(F)F ZINC000122331427 386742783 /nfs/dbraw/zinc/74/27/83/386742783.db2.gz AVTKQDHDHHKQTF-RKDXNWHRSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOCC(F)(F)F ZINC000122331427 386742790 /nfs/dbraw/zinc/74/27/90/386742790.db2.gz AVTKQDHDHHKQTF-RKDXNWHRSA-N 2 1 240.269 1.234 20 0 BDADMP C[C@@H](C1CCC1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000325330951 386783870 /nfs/dbraw/zinc/78/38/70/386783870.db2.gz HKBMGRUNLQQSAP-FZMZJTMJSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H](C1CCC1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000325330951 386783878 /nfs/dbraw/zinc/78/38/78/386783878.db2.gz HKBMGRUNLQQSAP-FZMZJTMJSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H](C1CCC1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000325330951 386783884 /nfs/dbraw/zinc/78/38/84/386783884.db2.gz HKBMGRUNLQQSAP-FZMZJTMJSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H](C1CCC1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000325330951 386783891 /nfs/dbraw/zinc/78/38/91/386783891.db2.gz HKBMGRUNLQQSAP-FZMZJTMJSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071954 386785866 /nfs/dbraw/zinc/78/58/66/386785866.db2.gz CJGSOVHGEHHHSS-STQMWFEESA-N 2 1 238.375 1.439 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC000125356187 386798611 /nfs/dbraw/zinc/79/86/11/386798611.db2.gz YCCNZERKOYRNLI-HZSPNIEDSA-N 2 1 238.375 1.472 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC000192988131 386806914 /nfs/dbraw/zinc/80/69/14/386806914.db2.gz VLABRDCFWMNYTM-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000192988131 386806916 /nfs/dbraw/zinc/80/69/16/386806916.db2.gz VLABRDCFWMNYTM-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000192988131 386806918 /nfs/dbraw/zinc/80/69/18/386806918.db2.gz VLABRDCFWMNYTM-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417864952 386808825 /nfs/dbraw/zinc/80/88/25/386808825.db2.gz BUCZTVJHTCFGGL-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790415 386853250 /nfs/dbraw/zinc/85/32/50/386853250.db2.gz YCJQTEOCECGENG-KBPBESRZSA-N 2 1 248.374 1.368 20 0 BDADMP CC(C)C[C@H](N)C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414847427 386833888 /nfs/dbraw/zinc/83/38/88/386833888.db2.gz VUYNYIHHKAKXDC-OLZOCXBDSA-N 2 1 227.396 1.339 20 0 BDADMP C[C@@H]1OCCN(CCc2cncn2C)[C@H]1C ZINC000334785820 386846743 /nfs/dbraw/zinc/84/67/43/386846743.db2.gz CDXGNIQZBBDWHC-QWRGUYRKSA-N 2 1 223.320 1.072 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCCOC3)C2)C1 ZINC000645187919 386850166 /nfs/dbraw/zinc/85/01/66/386850166.db2.gz LDQXSMMQPIDCDJ-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCCOC3)C2)C1 ZINC000645187919 386850172 /nfs/dbraw/zinc/85/01/72/386850172.db2.gz LDQXSMMQPIDCDJ-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCCOC3)C2)C1 ZINC000645187919 386850175 /nfs/dbraw/zinc/85/01/75/386850175.db2.gz LDQXSMMQPIDCDJ-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[NH3+])CC1CCOCC1 ZINC000414942622 386891226 /nfs/dbraw/zinc/89/12/26/386891226.db2.gz KGXUSZRWDUQQEH-QWRGUYRKSA-N 2 1 214.353 1.376 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000334833025 386870402 /nfs/dbraw/zinc/87/04/02/386870402.db2.gz LNKQAKQOYLWIKI-FICVDOATSA-N 2 1 230.355 1.919 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000334832572 386871318 /nfs/dbraw/zinc/87/13/18/386871318.db2.gz FHNYBPZVXLBSJA-URLYPYJESA-N 2 1 208.330 1.364 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)n1 ZINC000335747805 386871607 /nfs/dbraw/zinc/87/16/07/386871607.db2.gz FMKJNQYARVQHKM-NWDGAFQWSA-N 2 1 235.331 1.626 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000334833848 386872020 /nfs/dbraw/zinc/87/20/20/386872020.db2.gz TZTGQZSEJWZWRT-ITGUQSILSA-N 2 1 202.301 1.302 20 0 BDADMP C[C@H]1CN(CCC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000335758838 386886967 /nfs/dbraw/zinc/88/69/67/386886967.db2.gz HNWDHYRSLKMZGZ-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000366732897 386913971 /nfs/dbraw/zinc/91/39/71/386913971.db2.gz YEZQBAXBZMSZBP-UTUOFQBUSA-N 2 1 237.347 1.459 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@H]1C ZINC000358225214 386915282 /nfs/dbraw/zinc/91/52/82/386915282.db2.gz CEAHRXIRRNKBPX-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@H]1C ZINC000358225214 386915285 /nfs/dbraw/zinc/91/52/85/386915285.db2.gz CEAHRXIRRNKBPX-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000358168295 386905121 /nfs/dbraw/zinc/90/51/21/386905121.db2.gz NETXQKLBQMYKKG-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000358168297 386905177 /nfs/dbraw/zinc/90/51/77/386905177.db2.gz NETXQKLBQMYKKG-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP CCC1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358171175 386907232 /nfs/dbraw/zinc/90/72/32/386907232.db2.gz SWSNJLOIORISEV-RUXDESIVSA-N 2 1 240.391 1.611 20 0 BDADMP CCC1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358171175 386907236 /nfs/dbraw/zinc/90/72/36/386907236.db2.gz SWSNJLOIORISEV-RUXDESIVSA-N 2 1 240.391 1.611 20 0 BDADMP CCn1ccnc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000395509547 386908477 /nfs/dbraw/zinc/90/84/77/386908477.db2.gz OWBPOZLLTDZMET-WDEREUQCSA-N 2 1 222.336 1.120 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000335774926 386924074 /nfs/dbraw/zinc/92/40/74/386924074.db2.gz YPDDULWIRHSRQU-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334866729 386924655 /nfs/dbraw/zinc/92/46/55/386924655.db2.gz CFBNXJIRPGGVLR-GXTWGEPZSA-N 2 1 248.374 1.682 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334868487 386926758 /nfs/dbraw/zinc/92/67/58/386926758.db2.gz KJVZTVXRZYCAQO-JSGCOSHPSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334868487 386926761 /nfs/dbraw/zinc/92/67/61/386926761.db2.gz KJVZTVXRZYCAQO-JSGCOSHPSA-N 2 1 248.374 1.384 20 0 BDADMP CCSCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368319683 386959122 /nfs/dbraw/zinc/95/91/22/386959122.db2.gz YHRNPWBXDRYFPW-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CCSCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368319683 386959126 /nfs/dbraw/zinc/95/91/26/386959126.db2.gz YHRNPWBXDRYFPW-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CCSCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368319683 386959138 /nfs/dbraw/zinc/95/91/38/386959138.db2.gz YHRNPWBXDRYFPW-GFCCVEGCSA-N 2 1 228.405 1.767 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341871435 386980067 /nfs/dbraw/zinc/98/00/67/386980067.db2.gz FVFATLZXXZTDAN-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000358665192 386995541 /nfs/dbraw/zinc/99/55/41/386995541.db2.gz VQMQEUUWUVYRCI-RDBSUJKOSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccsc1 ZINC000126717070 387051524 /nfs/dbraw/zinc/05/15/24/387051524.db2.gz GYPUCNSCKUJHPE-MWLCHTKSSA-N 2 1 210.346 1.917 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000333771247 387054288 /nfs/dbraw/zinc/05/42/88/387054288.db2.gz CASJQRKGSUMHDH-ZANVPECISA-N 2 1 237.347 1.769 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)C1CC([NH3+])C1 ZINC000334973398 387058304 /nfs/dbraw/zinc/05/83/04/387058304.db2.gz OUHPHQIKACJMON-UHFFFAOYSA-N 2 1 205.305 1.190 20 0 BDADMP CC[NH+](CC)CCCNC(=O)C[N@@H+](C)C(C)C ZINC000358811686 387017813 /nfs/dbraw/zinc/01/78/13/387017813.db2.gz HFQYYYTWJPVMTQ-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000334979350 387065996 /nfs/dbraw/zinc/06/59/96/387065996.db2.gz DQQNIHVLLITVNW-RYUDHWBXSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CCC[NH2+]1 ZINC000333249513 387022409 /nfs/dbraw/zinc/02/24/09/387022409.db2.gz GMTPWDXOUCSQDO-AVGNSLFASA-N 2 1 248.374 1.387 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCCCN1 ZINC000333883492 387068786 /nfs/dbraw/zinc/06/87/86/387068786.db2.gz WRMJQEVCFCZWLT-UMSGYPCISA-N 2 1 225.380 1.234 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070945368 387084884 /nfs/dbraw/zinc/08/48/84/387084884.db2.gz BHTGYYVBGUBDIO-GFCCVEGCSA-N 2 1 225.380 1.202 20 0 BDADMP Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)c(C)n1 ZINC000334998780 387090190 /nfs/dbraw/zinc/09/01/90/387090190.db2.gz VJZQJKNWTRGQMB-UHFFFAOYSA-N 2 1 233.359 1.882 20 0 BDADMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)c(C)n1 ZINC000334998780 387090196 /nfs/dbraw/zinc/09/01/96/387090196.db2.gz VJZQJKNWTRGQMB-UHFFFAOYSA-N 2 1 233.359 1.882 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000228395085 387093718 /nfs/dbraw/zinc/09/37/18/387093718.db2.gz MOZSVDBYIAHVBV-UHFFFAOYSA-N 2 1 244.342 1.571 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000418088554 387096588 /nfs/dbraw/zinc/09/65/88/387096588.db2.gz KKLMSMORRRGMAZ-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH2+]CC1 ZINC000335009775 387104315 /nfs/dbraw/zinc/10/43/15/387104315.db2.gz IIIBIYLMECTBLV-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000335009775 387104317 /nfs/dbraw/zinc/10/43/17/387104317.db2.gz IIIBIYLMECTBLV-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228657707 387105355 /nfs/dbraw/zinc/10/53/55/387105355.db2.gz SVDHQCGXHILRQP-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228657707 387105359 /nfs/dbraw/zinc/10/53/59/387105359.db2.gz SVDHQCGXHILRQP-GXTWGEPZSA-N 2 1 233.359 1.962 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCCC[NH3+] ZINC000423298559 387129009 /nfs/dbraw/zinc/12/90/09/387129009.db2.gz ONTXMEUURLBYGR-NEPJUHHUSA-N 3 1 215.385 1.611 20 0 BDADMP CC(C)[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cn1 ZINC000423299101 387129159 /nfs/dbraw/zinc/12/91/59/387129159.db2.gz BGUFWYFNVMCLRQ-ZDUSSCGKSA-N 2 1 237.322 1.727 20 0 BDADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423305486 387141765 /nfs/dbraw/zinc/14/17/65/387141765.db2.gz QWFBPXOGOYJUHH-SNVBAGLBSA-N 2 1 248.326 1.328 20 0 BDADMP CCOc1ccccc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423307382 387143964 /nfs/dbraw/zinc/14/39/64/387143964.db2.gz VUZOJEAZMDAMLS-NSHDSACASA-N 2 1 234.343 1.955 20 0 BDADMP CCC[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423312174 387148886 /nfs/dbraw/zinc/14/88/86/387148886.db2.gz RKDYXFSBQPJKTA-NWDGAFQWSA-N 2 1 225.380 1.201 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H](COC)C1CCCC1 ZINC000423313447 387151976 /nfs/dbraw/zinc/15/19/76/387151976.db2.gz UGCNYTWUXGGGLV-ZDUSSCGKSA-N 2 1 228.380 1.781 20 0 BDADMP CC[N@@H+]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000423320055 387160997 /nfs/dbraw/zinc/16/09/97/387160997.db2.gz FAGOLIYDXYXDOG-MELADBBJSA-N 2 1 239.407 1.306 20 0 BDADMP CCN1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000423320055 387161003 /nfs/dbraw/zinc/16/10/03/387161003.db2.gz FAGOLIYDXYXDOG-MELADBBJSA-N 2 1 239.407 1.306 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cnn(C)c1 ZINC000423323210 387165749 /nfs/dbraw/zinc/16/57/49/387165749.db2.gz OPNGKNCDINJNJX-NEPJUHHUSA-N 2 1 222.336 1.198 20 0 BDADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)OCO2 ZINC000423327426 387169820 /nfs/dbraw/zinc/16/98/20/387169820.db2.gz RMAYXWSKINUQSK-CABZTGNLSA-N 2 1 248.326 1.803 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423328231 387170058 /nfs/dbraw/zinc/17/00/58/387170058.db2.gz LWIRIVHSQZSCNR-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423328231 387170062 /nfs/dbraw/zinc/17/00/62/387170062.db2.gz LWIRIVHSQZSCNR-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423328231 387170064 /nfs/dbraw/zinc/17/00/64/387170064.db2.gz LWIRIVHSQZSCNR-RDBSUJKOSA-N 3 1 239.407 1.306 20 0 BDADMP CC[C@H]([NH2+]CCCC[NH3+])[C@@H]1CCCCN1 ZINC000423330012 387173564 /nfs/dbraw/zinc/17/35/64/387173564.db2.gz PJPXOCRSQJRROR-RYUDHWBXSA-N 2 1 213.369 1.236 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(CO)c1 ZINC000423329261 387174067 /nfs/dbraw/zinc/17/40/67/387174067.db2.gz OLKOHGHDTQCEFN-LLVKDONJSA-N 2 1 234.343 1.711 20 0 BDADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423338547 387187513 /nfs/dbraw/zinc/18/75/13/387187513.db2.gz WAWUPMYZFMMCIJ-NTZNESFSSA-N 2 1 222.332 1.699 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000423300534 387133214 /nfs/dbraw/zinc/13/32/14/387133214.db2.gz RSKUFBNKNKGQEG-UPJWGTAASA-N 2 1 227.396 1.434 20 0 BDADMP C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423302190 387134837 /nfs/dbraw/zinc/13/48/37/387134837.db2.gz JFIFRYGEGJYWTD-AVGNSLFASA-N 2 1 208.349 1.907 20 0 BDADMP COc1cc([C@@H](C)[NH2+]CC2C[NH2+]C2)ccc1F ZINC000423304493 387139093 /nfs/dbraw/zinc/13/90/93/387139093.db2.gz ODPZDRUQLPQJNS-SECBINFHSA-N 2 1 238.306 1.704 20 0 BDADMP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423353889 387205565 /nfs/dbraw/zinc/20/55/65/387205565.db2.gz FFHCGRIORCVVSE-JHJVBQTASA-N 2 1 226.364 1.533 20 0 BDADMP CCCCO[C@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423357345 387208865 /nfs/dbraw/zinc/20/88/65/387208865.db2.gz ABGWSNOSCURIOE-SRVKXCTJSA-N 2 1 228.380 1.907 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336379560 387209678 /nfs/dbraw/zinc/20/96/78/387209678.db2.gz ULASZLQHLOSEJB-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336379560 387209682 /nfs/dbraw/zinc/20/96/82/387209682.db2.gz ULASZLQHLOSEJB-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336379560 387209688 /nfs/dbraw/zinc/20/96/88/387209688.db2.gz ULASZLQHLOSEJB-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C)C[NH3+])C1CCCC1 ZINC000423359253 387210375 /nfs/dbraw/zinc/21/03/75/387210375.db2.gz DBLLGQUZEWEGLX-GXSJLCMTSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423361590 387212355 /nfs/dbraw/zinc/21/23/55/387212355.db2.gz AHASTNIMXMMEJI-JQWIXIFHSA-N 2 1 220.316 1.317 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366718 387217288 /nfs/dbraw/zinc/21/72/88/387217288.db2.gz QIBWBPVFYUMHEF-OUCADQQQSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366718 387217293 /nfs/dbraw/zinc/21/72/93/387217293.db2.gz QIBWBPVFYUMHEF-OUCADQQQSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366570 387219003 /nfs/dbraw/zinc/21/90/03/387219003.db2.gz XXPFRIXUJOQQSV-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423367887 387220385 /nfs/dbraw/zinc/22/03/85/387220385.db2.gz ZCEGDQPHSPPNNG-DGCLKSJQSA-N 2 1 248.374 1.529 20 0 BDADMP C[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353556972 387227922 /nfs/dbraw/zinc/22/79/22/387227922.db2.gz AMVYSXYHCHOBOO-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000423325934 387229076 /nfs/dbraw/zinc/22/90/76/387229076.db2.gz CGJHGRZPALVUCC-PIGZVRMJSA-N 3 1 237.391 1.249 20 0 BDADMP CC(C)[C@H]([NH2+][C@@H](C)C[NH3+])c1cccnc1 ZINC000423373349 387229380 /nfs/dbraw/zinc/22/93/80/387229380.db2.gz RXAGMRCFIAXCBX-JQWIXIFHSA-N 2 1 207.321 1.716 20 0 BDADMP Cc1cncc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000423326796 387231858 /nfs/dbraw/zinc/23/18/58/387231858.db2.gz RDNBDVHNPACAES-GWCFXTLKSA-N 2 1 219.332 1.778 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423401347 387237378 /nfs/dbraw/zinc/23/73/78/387237378.db2.gz VZBKKRHULVVCCL-CZXHOFHRSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423401347 387237381 /nfs/dbraw/zinc/23/73/81/387237381.db2.gz VZBKKRHULVVCCL-CZXHOFHRSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423461828 387310457 /nfs/dbraw/zinc/31/04/57/387310457.db2.gz TWTHMFNFURVEFS-HONMWMINSA-N 2 1 233.359 1.848 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)[C@H]1C ZINC000423468028 387314686 /nfs/dbraw/zinc/31/46/86/387314686.db2.gz FCCKQEYEZLZNSA-RCWTZXSCSA-N 2 1 232.318 1.865 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423375676 387257548 /nfs/dbraw/zinc/25/75/48/387257548.db2.gz DBPWQWLJHKDTAQ-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000423392753 387277754 /nfs/dbraw/zinc/27/77/54/387277754.db2.gz LZUOEESMCKDPCL-MDZLAQPJSA-N 2 1 236.363 1.552 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)O)C1 ZINC000360436838 387283956 /nfs/dbraw/zinc/28/39/56/387283956.db2.gz KFGHZGLNQROJIR-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000360436838 387283961 /nfs/dbraw/zinc/28/39/61/387283961.db2.gz KFGHZGLNQROJIR-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000360436838 387283967 /nfs/dbraw/zinc/28/39/67/387283967.db2.gz KFGHZGLNQROJIR-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423431500 387284914 /nfs/dbraw/zinc/28/49/14/387284914.db2.gz LPSLLVQNPSAYGV-RFQIPJPRSA-N 3 1 241.423 1.822 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000423431500 387284919 /nfs/dbraw/zinc/28/49/19/387284919.db2.gz LPSLLVQNPSAYGV-RFQIPJPRSA-N 2 1 241.423 1.822 20 0 BDADMP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437783 387288550 /nfs/dbraw/zinc/28/85/50/387288550.db2.gz QQZFLAXYUHAKNH-MYZSUADSSA-N 2 1 243.354 1.741 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cnn(C)c1 ZINC000423437650 387288914 /nfs/dbraw/zinc/28/89/14/387288914.db2.gz GKFTXJFSYCCFMH-NGZCFLSTSA-N 2 1 210.325 1.197 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])[C@@H]1CCCCN1 ZINC000423450052 387299938 /nfs/dbraw/zinc/29/99/38/387299938.db2.gz HCIYYMJDEQVWHE-TUAOUCFPSA-N 2 1 213.369 1.234 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000353997170 387308430 /nfs/dbraw/zinc/30/84/30/387308430.db2.gz QMPAYROBLSJJCW-RYUDHWBXSA-N 2 1 237.347 1.598 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000423522751 387355678 /nfs/dbraw/zinc/35/56/78/387355678.db2.gz RPHOSLVZSOJTNL-ZIAGYGMSSA-N 2 1 237.391 1.058 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH2+]C2CC2)C1 ZINC000423523333 387356849 /nfs/dbraw/zinc/35/68/49/387356849.db2.gz IFZIYQWFGMNSIW-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1C ZINC000423532937 387357854 /nfs/dbraw/zinc/35/78/54/387357854.db2.gz SDNCKAHMPLRZGQ-XBFCOCLRSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502636 387365688 /nfs/dbraw/zinc/36/56/88/387365688.db2.gz LXXKBSCUQZQCOH-WCQYABFASA-N 2 1 222.332 1.942 20 0 BDADMP C[C@@H](NC1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423540193 387366260 /nfs/dbraw/zinc/36/62/60/387366260.db2.gz DANGXGYTRMELAL-RYSNWHEDSA-N 2 1 239.407 1.589 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000423542908 387367959 /nfs/dbraw/zinc/36/79/59/387367959.db2.gz BKUZAMIDBJSDFE-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@H](NCCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423546085 387369959 /nfs/dbraw/zinc/36/99/59/387369959.db2.gz YNYUIEOMOZBFDN-KBPBESRZSA-N 2 1 237.391 1.416 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336495838 387320252 /nfs/dbraw/zinc/32/02/52/387320252.db2.gz NFNCISDGFNFPTD-JTQLQIEISA-N 2 1 222.336 1.326 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC[C@@H]1CCOC1 ZINC000514973724 387323117 /nfs/dbraw/zinc/32/31/17/387323117.db2.gz ZBCPBKQDSKLRHJ-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC[C@@H]1CCOC1 ZINC000514973724 387323120 /nfs/dbraw/zinc/32/31/20/387323120.db2.gz ZBCPBKQDSKLRHJ-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC[C@@H]1CCOC1 ZINC000514973724 387323122 /nfs/dbraw/zinc/32/31/22/387323122.db2.gz ZBCPBKQDSKLRHJ-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC[C@@H]1CCOC1 ZINC000514973724 387323123 /nfs/dbraw/zinc/32/31/23/387323123.db2.gz ZBCPBKQDSKLRHJ-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000572356850 387343790 /nfs/dbraw/zinc/34/37/90/387343790.db2.gz YINHOGFKYRJXNZ-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCOC1 ZINC000400645134 387352279 /nfs/dbraw/zinc/35/22/79/387352279.db2.gz UIBKSPQRAJANGF-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C[Si](C)(C)C[N@H+]1CCCC[C@@H]1C(=N)NO ZINC000374175541 387430747 /nfs/dbraw/zinc/43/07/47/387430747.db2.gz PAQQGROKBSNVMP-SECBINFHSA-N 2 1 229.400 1.674 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423839161 387434893 /nfs/dbraw/zinc/43/48/93/387434893.db2.gz CMAKNXRAXWBNFV-LBPRGKRZSA-N 2 1 241.379 1.057 20 0 BDADMP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc21 ZINC000515634235 387405034 /nfs/dbraw/zinc/40/50/34/387405034.db2.gz TVBQFEMSHJDSBF-QWHCGFSZSA-N 2 1 244.342 1.543 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423770402 387421231 /nfs/dbraw/zinc/42/12/31/387421231.db2.gz HKDIGEMHYABWTE-SRVKXCTJSA-N 2 1 243.395 1.206 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)OC ZINC000361572278 387498882 /nfs/dbraw/zinc/49/88/82/387498882.db2.gz CQFMPVWHRJDCCV-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000643475315 387508536 /nfs/dbraw/zinc/50/85/36/387508536.db2.gz FWZTYKXXSMZOLL-RVMXOQNASA-N 2 1 226.364 1.532 20 0 BDADMP CC[NH+](CC)CCN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000375215796 387517513 /nfs/dbraw/zinc/51/75/13/387517513.db2.gz PQNXBDVMSVAEAF-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192796178 387536052 /nfs/dbraw/zinc/53/60/52/387536052.db2.gz BIOQTTJBFYCJEW-JHJVBQTASA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCOC1 ZINC000310198561 387536335 /nfs/dbraw/zinc/53/63/35/387536335.db2.gz ZXQISERLTVHSQC-FQUUOJAGSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCOC1 ZINC000310198561 387536343 /nfs/dbraw/zinc/53/63/43/387536343.db2.gz ZXQISERLTVHSQC-FQUUOJAGSA-N 2 1 240.391 1.874 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C)O ZINC000192823881 387539062 /nfs/dbraw/zinc/53/90/62/387539062.db2.gz DUJHGDVVWWEQAC-LBPRGKRZSA-N 2 1 239.363 1.538 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C)O ZINC000192823881 387539065 /nfs/dbraw/zinc/53/90/65/387539065.db2.gz DUJHGDVVWWEQAC-LBPRGKRZSA-N 2 1 239.363 1.538 20 0 BDADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)[C@H]1CCOC1 ZINC000643506709 387464760 /nfs/dbraw/zinc/46/47/60/387464760.db2.gz GIRHISITNMUBLN-JQWIXIFHSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471053 387477658 /nfs/dbraw/zinc/47/76/58/387477658.db2.gz QZSNHBWHQYFBBN-NDBYEHHHSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]([NH2+]C1CCC(CO)CC1)c1c[nH+]ccc1N ZINC000643471349 387480046 /nfs/dbraw/zinc/48/00/46/387480046.db2.gz VWIXAIOVULFGSF-VOMCLLRMSA-N 2 1 249.358 1.696 20 0 BDADMP c1nc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c[nH]1 ZINC000336629774 387483036 /nfs/dbraw/zinc/48/30/36/387483036.db2.gz ZCNUWHUGRLOXMT-PWSUYJOCSA-N 2 1 221.304 1.411 20 0 BDADMP c1ncc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)[nH]1 ZINC000336629774 387483042 /nfs/dbraw/zinc/48/30/42/387483042.db2.gz ZCNUWHUGRLOXMT-PWSUYJOCSA-N 2 1 221.304 1.411 20 0 BDADMP COC1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643507422 387483825 /nfs/dbraw/zinc/48/38/25/387483825.db2.gz CRJIBEQQYPAPGU-UHFFFAOYSA-N 2 1 212.337 1.286 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422702386 387617741 /nfs/dbraw/zinc/61/77/41/387617741.db2.gz DZFDJCBVUFUGPY-RTXFEEFZSA-N 2 1 228.380 1.514 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422703599 387618543 /nfs/dbraw/zinc/61/85/43/387618543.db2.gz NMTQEOQSFSHOFE-ZIAGYGMSSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000422712531 387626817 /nfs/dbraw/zinc/62/68/17/387626817.db2.gz GUWJDJADSQPWPV-NEPJUHHUSA-N 3 1 239.407 1.576 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000036864693 387554401 /nfs/dbraw/zinc/55/44/01/387554401.db2.gz XSFVSLVIMHNJJL-UHFFFAOYSA-N 2 1 236.363 1.602 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000168553832 387571686 /nfs/dbraw/zinc/57/16/86/387571686.db2.gz RKIAOQOSBHUMED-SRVKXCTJSA-N 2 1 212.337 1.225 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422719458 387632604 /nfs/dbraw/zinc/63/26/04/387632604.db2.gz YEIBNUNKEXZUFT-QWHCGFSZSA-N 2 1 227.396 1.306 20 0 BDADMP Cc1ccc2nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cn2c1 ZINC000422721872 387632639 /nfs/dbraw/zinc/63/26/39/387632639.db2.gz WFYOUXRKTJXRIK-VXGBXAGGSA-N 2 1 246.358 1.858 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422725474 387635760 /nfs/dbraw/zinc/63/57/60/387635760.db2.gz BMGOUNKUYOTKHU-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCC[NH3+] ZINC000422727587 387636683 /nfs/dbraw/zinc/63/66/83/387636683.db2.gz HNAFLEQPNKEFQT-KGLIPLIRSA-N 3 1 241.423 1.968 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCC[NH3+] ZINC000422727587 387636688 /nfs/dbraw/zinc/63/66/88/387636688.db2.gz HNAFLEQPNKEFQT-KGLIPLIRSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000422735976 387642776 /nfs/dbraw/zinc/64/27/76/387642776.db2.gz FRONCIKYHXQGFU-HBNTYKKESA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000422735976 387642779 /nfs/dbraw/zinc/64/27/79/387642779.db2.gz FRONCIKYHXQGFU-HBNTYKKESA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000422736206 387643752 /nfs/dbraw/zinc/64/37/52/387643752.db2.gz FUNBVIIKPGWEGQ-RYUDHWBXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccccc1 ZINC000422739572 387644913 /nfs/dbraw/zinc/64/49/13/387644913.db2.gz ABZKOMDGMCDYHO-TZMCWYRMSA-N 2 1 218.344 1.817 20 0 BDADMP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430749869 387647463 /nfs/dbraw/zinc/64/74/63/387647463.db2.gz XTFAACKQDDHCQH-MNOVXSKESA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000422744951 387648760 /nfs/dbraw/zinc/64/87/60/387648760.db2.gz ULNHMXKGGOQHQF-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422747458 387650565 /nfs/dbraw/zinc/65/05/65/387650565.db2.gz YSMISYMCUHVGNP-MRVWCRGKSA-N 2 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422747458 387650570 /nfs/dbraw/zinc/65/05/70/387650570.db2.gz YSMISYMCUHVGNP-MRVWCRGKSA-N 2 1 237.391 1.473 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422753552 387658056 /nfs/dbraw/zinc/65/80/56/387658056.db2.gz INSFMZJTAASBHR-IUCAKERBSA-N 2 1 225.361 1.896 20 0 BDADMP CSC[C@H](C)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422753551 387659201 /nfs/dbraw/zinc/65/92/01/387659201.db2.gz INSFMZJTAASBHR-DTWKUNHWSA-N 2 1 225.361 1.896 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@H+](C)Cc1ccccc1 ZINC000422756561 387661462 /nfs/dbraw/zinc/66/14/62/387661462.db2.gz JASJJMUORMQZBC-KGLIPLIRSA-N 2 1 249.402 1.834 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@@H+](C)Cc1ccccc1 ZINC000422756561 387661464 /nfs/dbraw/zinc/66/14/64/387661464.db2.gz JASJJMUORMQZBC-KGLIPLIRSA-N 2 1 249.402 1.834 20 0 BDADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1C[NH2+]C1 ZINC000422761878 387662426 /nfs/dbraw/zinc/66/24/26/387662426.db2.gz NAWCZCGXNROLFT-WCQYABFASA-N 3 1 241.423 1.550 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422759522 387664123 /nfs/dbraw/zinc/66/41/23/387664123.db2.gz PKCFATHUENIOKW-QNMSZWNNSA-N 2 1 237.391 1.343 20 0 BDADMP C[NH2+]C1CC[NH+](CCN(C)c2ccccc2)CC1 ZINC000430960922 387665209 /nfs/dbraw/zinc/66/52/09/387665209.db2.gz AOHIBWSKCHGPQL-UHFFFAOYSA-N 2 1 247.386 1.807 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000422763457 387665759 /nfs/dbraw/zinc/66/57/59/387665759.db2.gz JAMORPZUMQVIIR-MNOVXSKESA-N 2 1 232.331 1.550 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422766498 387668390 /nfs/dbraw/zinc/66/83/90/387668390.db2.gz XLNOHKNVQPXZQI-UTLUCORTSA-N 2 1 202.367 1.326 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000125941477 387668940 /nfs/dbraw/zinc/66/89/40/387668940.db2.gz BCMXGPLAFOJIKU-UHFFFAOYSA-N 2 1 236.363 1.304 20 0 BDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000422770156 387670133 /nfs/dbraw/zinc/67/01/33/387670133.db2.gz UKRATVYCCOXEHR-STQMWFEESA-N 2 1 225.380 1.332 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422772278 387671219 /nfs/dbraw/zinc/67/12/19/387671219.db2.gz SMXWBLQWUIFTKI-UHFFFAOYSA-N 3 1 239.407 1.578 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422780326 387678465 /nfs/dbraw/zinc/67/84/65/387678465.db2.gz CVWIDPZNBWDDET-FDYHWXHSSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000452000972 387696185 /nfs/dbraw/zinc/69/61/85/387696185.db2.gz CEHFBWDCABONTE-AAEUAGOBSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000452000972 387696190 /nfs/dbraw/zinc/69/61/90/387696190.db2.gz CEHFBWDCABONTE-AAEUAGOBSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H]1CCC(C)(C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000452000972 387696197 /nfs/dbraw/zinc/69/61/97/387696197.db2.gz CEHFBWDCABONTE-AAEUAGOBSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H]1CCC(C)(C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000452000972 387696204 /nfs/dbraw/zinc/69/62/04/387696204.db2.gz CEHFBWDCABONTE-AAEUAGOBSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000422780170 387679338 /nfs/dbraw/zinc/67/93/38/387679338.db2.gz GZSSBELRURBWOP-KGLIPLIRSA-N 3 1 239.407 1.450 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000126362348 387680874 /nfs/dbraw/zinc/68/08/74/387680874.db2.gz OQFXKPBXWNCVBU-GXTWGEPZSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)Cn1ccnc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422782386 387681501 /nfs/dbraw/zinc/68/15/01/387681501.db2.gz LXPBMOSCRSGQQG-VXGBXAGGSA-N 2 1 238.379 1.755 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000422783526 387683484 /nfs/dbraw/zinc/68/34/84/387683484.db2.gz OFQAFGBGCOVDOF-VOAKCMCISA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000422743255 387689565 /nfs/dbraw/zinc/68/95/65/387689565.db2.gz RFEHUNWBAVOESV-BZPMIXESSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000422743255 387689573 /nfs/dbraw/zinc/68/95/73/387689573.db2.gz RFEHUNWBAVOESV-BZPMIXESSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000422743258 387690003 /nfs/dbraw/zinc/69/00/03/387690003.db2.gz RFEHUNWBAVOESV-YRGRVCCFSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000422743258 387690012 /nfs/dbraw/zinc/69/00/12/387690012.db2.gz RFEHUNWBAVOESV-YRGRVCCFSA-N 2 1 239.407 1.447 20 0 BDADMP CC[C@@H]([NH2+][C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422860982 387744816 /nfs/dbraw/zinc/74/48/16/387744816.db2.gz NLGFQHDQZAUQPO-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCOC1 ZINC000356902904 387744975 /nfs/dbraw/zinc/74/49/75/387744975.db2.gz RVJJALCLYXCDIZ-TZMCWYRMSA-N 2 1 238.375 1.653 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000422860981 387745032 /nfs/dbraw/zinc/74/50/32/387745032.db2.gz NLGFQHDQZAUQPO-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000422859741 387745243 /nfs/dbraw/zinc/74/52/43/387745243.db2.gz KFOIGPKWTNXLPZ-FQUUOJAGSA-N 2 1 241.423 1.965 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)N1CCCC[C@H]1C ZINC000422859741 387745245 /nfs/dbraw/zinc/74/52/45/387745245.db2.gz KFOIGPKWTNXLPZ-FQUUOJAGSA-N 2 1 241.423 1.965 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862091 387745272 /nfs/dbraw/zinc/74/52/72/387745272.db2.gz NJVMRFHSXYPWOY-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCC(C)CC1 ZINC000422867009 387746901 /nfs/dbraw/zinc/74/69/01/387746901.db2.gz RNQDATOUGXOURR-QWHCGFSZSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000643526213 387749255 /nfs/dbraw/zinc/74/92/55/387749255.db2.gz UWHQFHGREIYBIB-BDAKNGLRSA-N 2 1 222.288 1.413 20 0 BDADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CCOC1 ZINC000128595627 387750177 /nfs/dbraw/zinc/75/01/77/387750177.db2.gz XEMWZAOQWCZMSF-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](CN[C@@H](C)C1C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000422869791 387750782 /nfs/dbraw/zinc/75/07/82/387750782.db2.gz YATXJORIZGMFBL-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP COCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422873462 387752758 /nfs/dbraw/zinc/75/27/58/387752758.db2.gz AKUYUUNTZGXYCR-UONOGXRCSA-N 2 1 234.343 1.802 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000422873313 387753681 /nfs/dbraw/zinc/75/36/81/387753681.db2.gz KZKOYQCRYSZTAB-MPPDQPJWSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000422873313 387753684 /nfs/dbraw/zinc/75/36/84/387753684.db2.gz KZKOYQCRYSZTAB-MPPDQPJWSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000422805860 387704857 /nfs/dbraw/zinc/70/48/57/387704857.db2.gz JVWYGNSAJIBQFM-XBFCOCLRSA-N 2 1 246.354 1.720 20 0 BDADMP COCc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422806861 387705199 /nfs/dbraw/zinc/70/51/99/387705199.db2.gz NZNGIQFJAODQNQ-KGLIPLIRSA-N 2 1 234.343 1.802 20 0 BDADMP CC[N@@H+](CCN[C@H](C)c1c[nH+]ccc1N)C1CC1 ZINC000422878752 387755140 /nfs/dbraw/zinc/75/51/40/387755140.db2.gz KNTVJQTZFVUNIW-LLVKDONJSA-N 2 1 248.374 1.629 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000127513489 387714703 /nfs/dbraw/zinc/71/47/03/387714703.db2.gz DFNMTJGADDDDHP-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422824117 387720956 /nfs/dbraw/zinc/72/09/56/387720956.db2.gz MYIDCHLRENINNO-NEPJUHHUSA-N 2 1 215.385 1.434 20 0 BDADMP COC1CCC(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422834955 387725350 /nfs/dbraw/zinc/72/53/50/387725350.db2.gz IADMTWKRHRIADM-ABXWRUBCSA-N 2 1 240.391 1.779 20 0 BDADMP COC1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422834957 387727956 /nfs/dbraw/zinc/72/79/56/387727956.db2.gz IADMTWKRHRIADM-GFJIZPEISA-N 2 1 240.391 1.779 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1C ZINC000128091479 387737981 /nfs/dbraw/zinc/73/79/81/387737981.db2.gz VHVBRZWURZTJIU-ZIAGYGMSSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1C ZINC000128091479 387737984 /nfs/dbraw/zinc/73/79/84/387737984.db2.gz VHVBRZWURZTJIU-ZIAGYGMSSA-N 2 1 248.374 1.445 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422855765 387738187 /nfs/dbraw/zinc/73/81/87/387738187.db2.gz FCWKSFFXUFLEFR-MGPQQGTHSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422855765 387738195 /nfs/dbraw/zinc/73/81/95/387738195.db2.gz FCWKSFFXUFLEFR-MGPQQGTHSA-N 3 1 241.423 1.824 20 0 BDADMP CCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccnc1 ZINC000643527920 387763885 /nfs/dbraw/zinc/76/38/85/387763885.db2.gz VMLRXPZCQJZXGU-PWSUYJOCSA-N 2 1 207.321 1.860 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422897806 387764899 /nfs/dbraw/zinc/76/48/99/387764899.db2.gz CXBHBOLGZQBFBY-FRRDWIJNSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1-n1ccnn1 ZINC000643527482 387765184 /nfs/dbraw/zinc/76/51/84/387765184.db2.gz NMMIGHSCNMFXDN-WDEREUQCSA-N 2 1 245.330 1.265 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422897808 387765518 /nfs/dbraw/zinc/76/55/18/387765518.db2.gz CXBHBOLGZQBFBY-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP CO[C@@H](C)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422898812 387766393 /nfs/dbraw/zinc/76/63/93/387766393.db2.gz GCXYYWZNABABJT-UWVGGRQHSA-N 2 1 223.320 1.570 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000422894485 387766746 /nfs/dbraw/zinc/76/67/46/387766746.db2.gz CKWBIUWQIOMPDW-IGQOVBAYSA-N 2 1 237.391 1.343 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422909693 387768319 /nfs/dbraw/zinc/76/83/19/387768319.db2.gz OSZGGGJHECWEGY-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CCN[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643529604 387778022 /nfs/dbraw/zinc/77/80/22/387778022.db2.gz FZMXARORPUMSGH-NEPJUHHUSA-N 2 1 227.396 1.304 20 0 BDADMP OC1CC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000432408932 387786828 /nfs/dbraw/zinc/78/68/28/387786828.db2.gz DJDBOEGSUPEKGV-CEUNDQEZSA-N 2 1 238.375 1.364 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422978593 387788396 /nfs/dbraw/zinc/78/83/96/387788396.db2.gz ZSQZQKNYOKHCSR-BFHYXJOUSA-N 2 1 239.407 1.306 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422979393 387789054 /nfs/dbraw/zinc/78/90/54/387789054.db2.gz MOQPCNCGCHIYKC-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422978535 387789167 /nfs/dbraw/zinc/78/91/67/387789167.db2.gz ZNMGWQDNXFYPGQ-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422977311 387789835 /nfs/dbraw/zinc/78/98/35/387789835.db2.gz WQFYUERHUQCIQZ-OLZOCXBDSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422990133 387797904 /nfs/dbraw/zinc/79/79/04/387797904.db2.gz MTWZFXLAAXTMJA-RISCZKNCSA-N 2 1 234.343 1.522 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCOCC1 ZINC000309484645 387805004 /nfs/dbraw/zinc/80/50/04/387805004.db2.gz FWTNKGCEGDXMAR-NSHDSACASA-N 2 1 223.320 1.121 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000422999794 387805137 /nfs/dbraw/zinc/80/51/37/387805137.db2.gz YLDLZJCNQJDTGJ-NEPJUHHUSA-N 2 1 228.380 1.373 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423001004 387805381 /nfs/dbraw/zinc/80/53/81/387805381.db2.gz HHBGGLGPODRGTQ-AVGNSLFASA-N 2 1 242.407 1.760 20 0 BDADMP CC(C)C[N@H+]1CCCC[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000422997885 387805734 /nfs/dbraw/zinc/80/57/34/387805734.db2.gz OYCDGVCRKYDTFS-KBPBESRZSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@H](NCCC[N@@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422962915 387813391 /nfs/dbraw/zinc/81/33/91/387813391.db2.gz HAARPNZDXXMPLE-KBPBESRZSA-N 2 1 241.423 1.837 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000193815625 387809407 /nfs/dbraw/zinc/80/94/07/387809407.db2.gz LYYBHGTXPHINNL-WDEREUQCSA-N 2 1 228.405 1.954 20 0 BDADMP CC(C)[N@H+](C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422880427 387758087 /nfs/dbraw/zinc/75/80/87/387758087.db2.gz OBCGODZNFONGFB-WDEREUQCSA-N 2 1 201.358 1.042 20 0 BDADMP CC(C)N(C)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422880427 387758090 /nfs/dbraw/zinc/75/80/90/387758090.db2.gz OBCGODZNFONGFB-WDEREUQCSA-N 2 1 201.358 1.042 20 0 BDADMP C[C@@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422973052 387821984 /nfs/dbraw/zinc/82/19/84/387821984.db2.gz BBPUTMNRIOAEBB-WXHSDQCUSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423007778 387832365 /nfs/dbraw/zinc/83/23/65/387832365.db2.gz ROWHNLCQORYQJO-YUELXQCFSA-N 2 1 248.370 1.493 20 0 BDADMP CCOC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000423074316 387873212 /nfs/dbraw/zinc/87/32/12/387873212.db2.gz UNLZRUSTSZBQCE-JHJVBQTASA-N 2 1 228.380 1.778 20 0 BDADMP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)nc1 ZINC000423015485 387838055 /nfs/dbraw/zinc/83/80/55/387838055.db2.gz RFAQNBIJNSVOLT-VXGBXAGGSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000423016942 387840627 /nfs/dbraw/zinc/84/06/27/387840627.db2.gz UYTZWNWYQXJXSB-ZBAXXZLZSA-N 2 1 224.348 1.284 20 0 BDADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423026421 387842743 /nfs/dbraw/zinc/84/27/43/387842743.db2.gz NMLBHMZKORLMPY-NDBYEHHHSA-N 2 1 238.375 1.532 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCOc1ccccc1 ZINC000061815625 387847664 /nfs/dbraw/zinc/84/76/64/387847664.db2.gz QKEHGHNGOMUXMA-UHFFFAOYSA-N 2 1 222.332 1.736 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423032801 387848146 /nfs/dbraw/zinc/84/81/46/387848146.db2.gz YRRRVMHYUVBCIV-IACUBPJLSA-N 2 1 240.391 1.658 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423039796 387852710 /nfs/dbraw/zinc/85/27/10/387852710.db2.gz RRKRPCLMBKIGJB-KGLIPLIRSA-N 2 1 237.391 1.226 20 0 BDADMP Cc1noc(C)c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193655295 387857911 /nfs/dbraw/zinc/85/79/11/387857911.db2.gz BUMUDAFAFRMDSL-TXEJJXNPSA-N 2 1 235.331 1.285 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000423063119 387867480 /nfs/dbraw/zinc/86/74/80/387867480.db2.gz VNGLZRGTHRVOBQ-MNOVXSKESA-N 2 1 213.369 1.186 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423068161 387869703 /nfs/dbraw/zinc/86/97/03/387869703.db2.gz JGGVPBGTEDWICF-NEPJUHHUSA-N 2 1 228.380 1.515 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423065887 387870590 /nfs/dbraw/zinc/87/05/90/387870590.db2.gz VMMMIZPLDXKGER-YFKTTZPYSA-N 2 1 226.364 1.266 20 0 BDADMP CC[C@@H]([NH2+]CCOCC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423072530 387874882 /nfs/dbraw/zinc/87/48/82/387874882.db2.gz PPOSHCIMRRNKKL-ZJUUUORDSA-N 2 1 236.306 1.388 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000527975285 387813887 /nfs/dbraw/zinc/81/38/87/387813887.db2.gz UAWZIGMUIPGTIQ-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000527975285 387813893 /nfs/dbraw/zinc/81/38/93/387813893.db2.gz UAWZIGMUIPGTIQ-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000444615769 387892759 /nfs/dbraw/zinc/89/27/59/387892759.db2.gz ZJDMBRNBCPNDAA-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1c[nH+]ccc1N ZINC000423110056 387894310 /nfs/dbraw/zinc/89/43/10/387894310.db2.gz OQXFGZBKZOCAKM-AUTRQRHGSA-N 2 1 205.305 1.943 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423112240 387894959 /nfs/dbraw/zinc/89/49/59/387894959.db2.gz RUHTXIUUBSQILQ-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000643460254 387875138 /nfs/dbraw/zinc/87/51/38/387875138.db2.gz GYPCXIPVHUKQHM-BZPMIXESSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCSC1)c1c[nH+]ccc1N ZINC000423085821 387881570 /nfs/dbraw/zinc/88/15/70/387881570.db2.gz LKIGYGSPBMKMBV-VHSXEESVSA-N 2 1 237.372 1.898 20 0 BDADMP COc1ncccc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423141756 387918680 /nfs/dbraw/zinc/91/86/80/387918680.db2.gz RPSWPSZQWLADSO-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP CC[C@@H]([NH2+]CC1=CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000423132452 387910277 /nfs/dbraw/zinc/91/02/77/387910277.db2.gz UPUHXZNNFFLPKF-OLZOCXBDSA-N 2 1 224.348 1.453 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423137308 387914755 /nfs/dbraw/zinc/91/47/55/387914755.db2.gz QSZBDGZSYBOWHC-IUCAKERBSA-N 2 1 211.284 1.893 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423139465 387916895 /nfs/dbraw/zinc/91/68/95/387916895.db2.gz KTNVFEDCEVRGQQ-XQQFMLRXSA-N 2 1 229.412 1.822 20 0 BDADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cc[nH]c(=O)c1 ZINC000423139286 387917010 /nfs/dbraw/zinc/91/70/10/387917010.db2.gz VGWKURKQENUHOR-FOGDFJRCSA-N 2 1 235.331 1.578 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000423163802 387917425 /nfs/dbraw/zinc/91/74/25/387917425.db2.gz NKTHRJGSXGDNHW-GARJFASQSA-N 2 1 235.331 1.712 20 0 BDADMP C[C@H]([NH2+]C[C@H](CO)C1CC1)c1c[nH+]ccc1N ZINC000423140315 387917685 /nfs/dbraw/zinc/91/76/85/387917685.db2.gz MJQAUSPJZSKZKS-GXSJLCMTSA-N 2 1 235.331 1.163 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCC[C@@H]1[NH3+] ZINC000423144666 387920969 /nfs/dbraw/zinc/92/09/69/387920969.db2.gz ZJDCDAMNVSYKNE-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000423167337 387952639 /nfs/dbraw/zinc/95/26/39/387952639.db2.gz SCSRSGMHLPTSDF-WXHSDQCUSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1CCNC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423171512 387956588 /nfs/dbraw/zinc/95/65/88/387956588.db2.gz OSWUHKDSXFUOCD-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423171512 387956590 /nfs/dbraw/zinc/95/65/90/387956590.db2.gz OSWUHKDSXFUOCD-HZSPNIEDSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423171512 387956597 /nfs/dbraw/zinc/95/65/97/387956597.db2.gz OSWUHKDSXFUOCD-HZSPNIEDSA-N 3 1 239.407 1.306 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000423158551 387938089 /nfs/dbraw/zinc/93/80/89/387938089.db2.gz OCEKQRBEDFNOIZ-MNOVXSKESA-N 2 1 249.362 1.289 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C1CCC1)c1c[nH+]ccc1N ZINC000423159089 387938738 /nfs/dbraw/zinc/93/87/38/387938738.db2.gz FFNKZMQITZZSNC-ZANVPECISA-N 2 1 235.331 1.306 20 0 BDADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423160083 387940400 /nfs/dbraw/zinc/94/04/00/387940400.db2.gz GUSMCLZFDRIIEQ-JSGCOSHPSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@H](NCCCC[N@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423160083 387940405 /nfs/dbraw/zinc/94/04/05/387940405.db2.gz GUSMCLZFDRIIEQ-JSGCOSHPSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](NCCCC[N@@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423160083 387940410 /nfs/dbraw/zinc/94/04/10/387940410.db2.gz GUSMCLZFDRIIEQ-JSGCOSHPSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOC)[C@H](C)C1 ZINC000158235492 387942163 /nfs/dbraw/zinc/94/21/63/387942163.db2.gz DPRWJBNIKFFRSV-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CC1 ZINC000423160006 387942210 /nfs/dbraw/zinc/94/22/10/387942210.db2.gz QFROLDAYPVICDJ-ZRJCITRHSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@H+]1CCCC1(C)C ZINC000423162655 387943036 /nfs/dbraw/zinc/94/30/36/387943036.db2.gz LKITXLDMQYUPOZ-VXGBXAGGSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]1 ZINC000423165332 387948263 /nfs/dbraw/zinc/94/82/63/387948263.db2.gz PUNQFUSZSLRREC-WYUUTHIRSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000423167336 387951591 /nfs/dbraw/zinc/95/15/91/387951591.db2.gz SCSRSGMHLPTSDF-RTXFEEFZSA-N 2 1 226.364 1.268 20 0 BDADMP CCn1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000423171024 387958159 /nfs/dbraw/zinc/95/81/59/387958159.db2.gz NDWQKCIMTVEVIQ-DGCLKSJQSA-N 2 1 236.363 1.510 20 0 BDADMP CCOCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298322 387958782 /nfs/dbraw/zinc/95/87/82/387958782.db2.gz UKVMRTPIGNINGR-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)[C@H](C)O1 ZINC000423176237 387961527 /nfs/dbraw/zinc/96/15/27/387961527.db2.gz FUVKSTDZERSEEI-OBPIAQAESA-N 2 1 226.364 1.388 20 0 BDADMP C[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000245577761 387961674 /nfs/dbraw/zinc/96/16/74/387961674.db2.gz BJZWGFXSYLGRSE-KBPBESRZSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1ccc(C[C@@H]([NH2+]CC[NH3+])C2CC2)cc1 ZINC000423175989 387962981 /nfs/dbraw/zinc/96/29/81/387962981.db2.gz BJUZLSWESDBWNC-CQSZACIVSA-N 2 1 218.344 1.864 20 0 BDADMP COc1ccc([C@H]([NH2+]CC[NH3+])C(C)C)cc1 ZINC000423175728 387962996 /nfs/dbraw/zinc/96/29/96/387962996.db2.gz AXZSXLROPMWBRM-CYBMUJFWSA-N 2 1 222.332 1.941 20 0 BDADMP COCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156381202 387965984 /nfs/dbraw/zinc/96/59/84/387965984.db2.gz AHOBAXOKOZCBLC-LBPRGKRZSA-N 2 1 222.288 1.181 20 0 BDADMP COCCC[C@@H]([NH2+]CC[NH3+])c1ccc(F)cc1 ZINC000423180708 387966314 /nfs/dbraw/zinc/96/63/14/387966314.db2.gz INXXKKAIUSLDDJ-CYBMUJFWSA-N 2 1 240.322 1.842 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC1(N)CCCCC1 ZINC000423185038 387969545 /nfs/dbraw/zinc/96/95/45/387969545.db2.gz UPCHIASPHYBSAI-LLVKDONJSA-N 2 1 213.369 1.365 20 0 BDADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[NH3+])cc1 ZINC000423187476 387971659 /nfs/dbraw/zinc/97/16/59/387971659.db2.gz PQFCXQRGTYJHHU-MNOVXSKESA-N 2 1 222.332 1.736 20 0 BDADMP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cn1 ZINC000423170801 387957740 /nfs/dbraw/zinc/95/77/40/387957740.db2.gz YXJAEAZYHVMVFZ-DGCLKSJQSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2N)CC[NH2+]1 ZINC000424362813 387990598 /nfs/dbraw/zinc/99/05/98/387990598.db2.gz AZSMRDQOSIHXBI-UMSGYPCISA-N 2 1 225.380 1.234 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000453085039 387982003 /nfs/dbraw/zinc/98/20/03/387982003.db2.gz GYNTXFDPSIVAIX-RYUDHWBXSA-N 2 1 236.363 1.792 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000453085039 387982008 /nfs/dbraw/zinc/98/20/08/387982008.db2.gz GYNTXFDPSIVAIX-RYUDHWBXSA-N 2 1 236.363 1.792 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000424352552 387985887 /nfs/dbraw/zinc/98/58/87/387985887.db2.gz OHEQDNZGKVVADV-DABQJJPHSA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@@H+]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000423216104 387998309 /nfs/dbraw/zinc/99/83/09/387998309.db2.gz PLCPOCSXHZXXPX-MWWBDVBNSA-N 2 1 237.391 1.199 20 0 BDADMP c1cnn(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420405892 387999898 /nfs/dbraw/zinc/99/98/98/387999898.db2.gz UESZNRORZXTEIS-KBPBESRZSA-N 2 1 248.374 1.347 20 0 BDADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1nc2ccccc2n1C ZINC000423222342 388001798 /nfs/dbraw/zinc/00/17/98/388001798.db2.gz APXOYLQJYDPHTH-WDEREUQCSA-N 2 1 246.358 1.961 20 0 BDADMP C1CCC2(C1)[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCO[C@H]12 ZINC000423219977 388002633 /nfs/dbraw/zinc/00/26/33/388002633.db2.gz XEDDERFOHLEGNT-UMSGYPCISA-N 2 1 236.359 1.286 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH2+]C)C12CCCCC2 ZINC000423223246 388003634 /nfs/dbraw/zinc/00/36/34/388003634.db2.gz FPUXSSWJOAYFFG-CHWSQXEVSA-N 2 1 240.391 1.923 20 0 BDADMP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccn(C)n1 ZINC000423226227 388010023 /nfs/dbraw/zinc/01/00/23/388010023.db2.gz PVEIXRYPHKBBBD-VHSXEESVSA-N 2 1 210.325 1.198 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423240368 388023739 /nfs/dbraw/zinc/02/37/39/388023739.db2.gz SZOUNXXFVDAKAB-CHWSQXEVSA-N 2 1 226.364 1.533 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423241029 388025075 /nfs/dbraw/zinc/02/50/75/388025075.db2.gz HRJHTUFZFNALAU-VXGBXAGGSA-N 2 1 228.380 1.778 20 0 BDADMP C[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423228077 388013828 /nfs/dbraw/zinc/01/38/28/388013828.db2.gz YCCAZDZJTJOUQN-UKRRQHHQSA-N 2 1 247.386 1.458 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000423230287 388015939 /nfs/dbraw/zinc/01/59/39/388015939.db2.gz DFKOYHSFRLBGGT-SDDRHHMPSA-N 2 1 242.363 1.163 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423237461 388020129 /nfs/dbraw/zinc/02/01/29/388020129.db2.gz DISLCCWALXOPJP-UTUOFQBUSA-N 2 1 226.364 1.389 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423237799 388020658 /nfs/dbraw/zinc/02/06/58/388020658.db2.gz DVQQKYADCGLPBC-GHMZBOCLSA-N 2 1 202.317 1.714 20 0 BDADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000446757228 388037744 /nfs/dbraw/zinc/03/77/44/388037744.db2.gz SAJONSBGLYTPEU-DZGCQCFKSA-N 2 1 248.370 1.446 20 0 BDADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000446757228 388037746 /nfs/dbraw/zinc/03/77/46/388037746.db2.gz SAJONSBGLYTPEU-DZGCQCFKSA-N 2 1 248.370 1.446 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423258848 388038476 /nfs/dbraw/zinc/03/84/76/388038476.db2.gz CQKILUJNGMWZLA-GMTAPVOTSA-N 2 1 202.342 1.373 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423266135 388043621 /nfs/dbraw/zinc/04/36/21/388043621.db2.gz CWVURPARESZDEN-ZDEQEGDKSA-N 2 1 227.396 1.160 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423266135 388043624 /nfs/dbraw/zinc/04/36/24/388043624.db2.gz CWVURPARESZDEN-ZDEQEGDKSA-N 3 1 227.396 1.160 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423266135 388043628 /nfs/dbraw/zinc/04/36/28/388043628.db2.gz CWVURPARESZDEN-ZDEQEGDKSA-N 3 1 227.396 1.160 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423246231 388030025 /nfs/dbraw/zinc/03/00/25/388030025.db2.gz NBOIVQVFBRCRKP-OCCSQVGLSA-N 2 1 233.359 1.917 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423246229 388030344 /nfs/dbraw/zinc/03/03/44/388030344.db2.gz NBOIVQVFBRCRKP-GXTWGEPZSA-N 2 1 233.359 1.917 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccncc1F ZINC000423272342 388051525 /nfs/dbraw/zinc/05/15/25/388051525.db2.gz JXOWBLQRYQDQBM-NXEZZACHSA-N 2 1 225.311 1.727 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423284821 388069096 /nfs/dbraw/zinc/06/90/96/388069096.db2.gz YQGOBICJZMKQDW-DMDPSCGWSA-N 2 1 225.380 1.185 20 0 BDADMP C[N@H+]1CC[C@H](NCC(C)(C)[NH3+])[C@@H]2CCC[C@H]21 ZINC000423288325 388072913 /nfs/dbraw/zinc/07/29/13/388072913.db2.gz RSACQJYUWHLNON-SDDRHHMPSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(CO)c1 ZINC000423287626 388073323 /nfs/dbraw/zinc/07/33/23/388073323.db2.gz NMLVIDNDOQRHAG-SNVBAGLBSA-N 2 1 222.332 1.567 20 0 BDADMP CCC(N)(CC)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423290894 388074027 /nfs/dbraw/zinc/07/40/27/388074027.db2.gz FVSRXADLYVVTNE-NSHDSACASA-N 2 1 215.385 1.611 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423289311 388074590 /nfs/dbraw/zinc/07/45/90/388074590.db2.gz WSRQWNIIGYFKDW-JHJVBQTASA-N 2 1 241.423 1.822 20 0 BDADMP C(C[N@H+]1CCO[C@H]2CCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000084385517 388077900 /nfs/dbraw/zinc/07/79/00/388077900.db2.gz HVSZJRVVXBQCTK-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453419318 388079935 /nfs/dbraw/zinc/07/99/35/388079935.db2.gz YSEQYSZMHVSOKA-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCC[NH3+] ZINC000423297861 388080105 /nfs/dbraw/zinc/08/01/05/388080105.db2.gz MECZRWXAKXKDRZ-WDEREUQCSA-N 3 1 201.358 1.221 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000085417351 388086868 /nfs/dbraw/zinc/08/68/68/388086868.db2.gz NBWHFRNVDVPKIK-WDEREUQCSA-N 2 1 249.362 1.106 20 0 BDADMP CN(C)c1nc(NC2CC[NH+](C)CC2)cc[nH+]1 ZINC000085435801 388088183 /nfs/dbraw/zinc/08/81/83/388088183.db2.gz FIRRYEAPVCKGIH-UHFFFAOYSA-N 2 1 235.335 1.049 20 0 BDADMP Cc1ccc(O)c(C[NH+]2CCC([NH3+])CC2)n1 ZINC000085973134 388097111 /nfs/dbraw/zinc/09/71/11/388097111.db2.gz AQBAPLCKMNGINO-UHFFFAOYSA-N 2 1 221.304 1.019 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086724593 388107738 /nfs/dbraw/zinc/10/77/38/388107738.db2.gz KNZQAIZLGSUONA-LBPRGKRZSA-N 2 1 220.316 1.189 20 0 BDADMP C[NH2+]CCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000086930142 388111277 /nfs/dbraw/zinc/11/12/77/388111277.db2.gz RBPUKRBPGHCNQQ-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000449243366 388162036 /nfs/dbraw/zinc/16/20/36/388162036.db2.gz KIBXYZBGDMAQSO-KGLIPLIRSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000449243366 388162037 /nfs/dbraw/zinc/16/20/37/388162037.db2.gz KIBXYZBGDMAQSO-KGLIPLIRSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250572849 388177243 /nfs/dbraw/zinc/17/72/43/388177243.db2.gz FBGWNLBEMNYRJO-MNOVXSKESA-N 2 1 214.378 1.423 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]CCC ZINC000449119807 388145399 /nfs/dbraw/zinc/14/53/99/388145399.db2.gz BAKWNUGKCYPQEK-GFCCVEGCSA-N 2 1 243.395 1.223 20 0 BDADMP CCc1cc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC000450437962 388256093 /nfs/dbraw/zinc/25/60/93/388256093.db2.gz LRWVUDYWTYHLBA-RISCZKNCSA-N 2 1 233.359 1.961 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488744831 388193027 /nfs/dbraw/zinc/19/30/27/388193027.db2.gz CUMMGRMFUYBPCT-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488744831 388193028 /nfs/dbraw/zinc/19/30/28/388193028.db2.gz CUMMGRMFUYBPCT-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)CO)[C@@H](C)C1 ZINC000449410199 388197149 /nfs/dbraw/zinc/19/71/49/388197149.db2.gz YLNYOQIYDTZJDD-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000451813588 388297628 /nfs/dbraw/zinc/29/76/28/388297628.db2.gz RGAJWKZKVPSARJ-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CCc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000491542135 388302413 /nfs/dbraw/zinc/30/24/13/388302413.db2.gz AZILTALJMWEHCW-LBPRGKRZSA-N 2 1 235.375 1.931 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000516580279 388355860 /nfs/dbraw/zinc/35/58/60/388355860.db2.gz FNOBWWPJRWKRQF-DGCLKSJQSA-N 3 1 225.380 1.188 20 0 BDADMP COc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000234859348 388361663 /nfs/dbraw/zinc/36/16/63/388361663.db2.gz DULSQTVJHMXLLP-UWVGGRQHSA-N 2 1 208.305 1.693 20 0 BDADMP COc1cccc([C@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000234884793 388361733 /nfs/dbraw/zinc/36/17/33/388361733.db2.gz DYKXDJFOQKTGHU-ZJUUUORDSA-N 2 1 208.305 1.693 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1 ZINC000235461434 388369093 /nfs/dbraw/zinc/36/90/93/388369093.db2.gz FCCJWOISZBUZSD-VXGBXAGGSA-N 2 1 206.333 1.945 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccnc2)C1 ZINC000235440214 388369194 /nfs/dbraw/zinc/36/91/94/388369194.db2.gz NETDMHOMXXSGKS-LBPRGKRZSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccnc2)C1 ZINC000235440214 388369195 /nfs/dbraw/zinc/36/91/95/388369195.db2.gz NETDMHOMXXSGKS-LBPRGKRZSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@@H](C[NH2+]Cc1cnn2ccccc12)C[NH+](C)C ZINC000291687424 388376707 /nfs/dbraw/zinc/37/67/07/388376707.db2.gz IMGRGYOGYVZZOU-LBPRGKRZSA-N 2 1 246.358 1.622 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316055818 388405889 /nfs/dbraw/zinc/40/58/89/388405889.db2.gz XUQXSFVZNQZEDY-RFHZTLPTSA-N 2 1 240.391 1.466 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965006 388395802 /nfs/dbraw/zinc/39/58/02/388395802.db2.gz PYNJJRIFSKPJHT-NXEZZACHSA-N 2 1 218.291 1.702 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(F)CC1 ZINC000525977936 388441417 /nfs/dbraw/zinc/44/14/17/388441417.db2.gz KYTHBDKFTXXUDP-UHFFFAOYSA-N 2 1 214.328 1.762 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCn1cccn1 ZINC000308636898 388445946 /nfs/dbraw/zinc/44/59/46/388445946.db2.gz SADXDRGCUYTTBZ-UHFFFAOYSA-N 2 1 236.363 1.347 20 0 BDADMP CC(C)[C@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308638478 388445983 /nfs/dbraw/zinc/44/59/83/388445983.db2.gz WPWDXQNWXFVTTL-GFCCVEGCSA-N 2 1 228.380 1.467 20 0 BDADMP COCCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308632069 388446628 /nfs/dbraw/zinc/44/66/28/388446628.db2.gz FGCVQXYDHJPYQU-UHFFFAOYSA-N 2 1 228.380 1.877 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335348354 388450261 /nfs/dbraw/zinc/45/02/61/388450261.db2.gz HFVFUFLJRWJODQ-ZWNOBZJWSA-N 2 1 236.363 1.145 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@H+]1C ZINC000335771562 388454264 /nfs/dbraw/zinc/45/42/64/388454264.db2.gz HZGWWEOKHZFDLY-JSGCOSHPSA-N 3 1 237.391 1.321 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CC[NH+]1C ZINC000335771562 388454266 /nfs/dbraw/zinc/45/42/66/388454266.db2.gz HZGWWEOKHZFDLY-JSGCOSHPSA-N 3 1 237.391 1.321 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC[NH+]1C ZINC000335771562 388454268 /nfs/dbraw/zinc/45/42/68/388454268.db2.gz HZGWWEOKHZFDLY-JSGCOSHPSA-N 3 1 237.391 1.321 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CCN1C ZINC000335771562 388454270 /nfs/dbraw/zinc/45/42/70/388454270.db2.gz HZGWWEOKHZFDLY-JSGCOSHPSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCN1C ZINC000335771562 388454272 /nfs/dbraw/zinc/45/42/72/388454272.db2.gz HZGWWEOKHZFDLY-JSGCOSHPSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000397405814 388467177 /nfs/dbraw/zinc/46/71/77/388467177.db2.gz SZQDZOOSZMHUPF-FRRDWIJNSA-N 2 1 233.359 1.887 20 0 BDADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336722153 388469338 /nfs/dbraw/zinc/46/93/38/388469338.db2.gz STRKIVJOUIRNCD-AAVRWANBSA-N 3 1 241.423 1.502 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336722153 388469341 /nfs/dbraw/zinc/46/93/41/388469341.db2.gz STRKIVJOUIRNCD-AAVRWANBSA-N 3 1 241.423 1.502 20 0 BDADMP FC(F)(F)CCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310036582 388474615 /nfs/dbraw/zinc/47/46/15/388474615.db2.gz UMCSEHQUQBDSGZ-AOOOYVTPSA-N 2 1 236.281 1.870 20 0 BDADMP FC(F)(F)CCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000310036582 388474617 /nfs/dbraw/zinc/47/46/17/388474617.db2.gz UMCSEHQUQBDSGZ-AOOOYVTPSA-N 2 1 236.281 1.870 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCC2)CC[N@H+]1C ZINC000316335374 388410489 /nfs/dbraw/zinc/41/04/89/388410489.db2.gz GWFZXTGRIIWQPO-RTXFEEFZSA-N 2 1 226.364 1.220 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000340490148 388492068 /nfs/dbraw/zinc/49/20/68/388492068.db2.gz LTZNQJHHCMTYQG-CYZMBNFOSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+](C)C)CC1 ZINC000397802282 388499992 /nfs/dbraw/zinc/49/99/92/388499992.db2.gz CWPXIRJMHNUOLI-AGIUHOORSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802282 388499996 /nfs/dbraw/zinc/49/99/96/388499996.db2.gz CWPXIRJMHNUOLI-AGIUHOORSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802282 388499998 /nfs/dbraw/zinc/49/99/98/388499998.db2.gz CWPXIRJMHNUOLI-AGIUHOORSA-N 2 1 239.407 1.399 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000347682143 388523982 /nfs/dbraw/zinc/52/39/82/388523982.db2.gz PCSMCXMNDAHVGM-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP C(C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000348102676 388525874 /nfs/dbraw/zinc/52/58/74/388525874.db2.gz BFUXBZUKXWVOOC-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000348102676 388525877 /nfs/dbraw/zinc/52/58/77/388525877.db2.gz BFUXBZUKXWVOOC-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)OCC1CC1 ZINC000517937499 388598819 /nfs/dbraw/zinc/59/88/19/388598819.db2.gz UXEHLXNSAYBPDH-CQSZACIVSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000379267359 388602625 /nfs/dbraw/zinc/60/26/25/388602625.db2.gz SFLDWRXJLBISDE-AAEUAGOBSA-N 2 1 237.347 1.739 20 0 BDADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000361011335 388559639 /nfs/dbraw/zinc/55/96/39/388559639.db2.gz SGRQKKLHZZYGFD-MRVWCRGKSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000245452660 388580074 /nfs/dbraw/zinc/58/00/74/388580074.db2.gz QONSYUWEQSGOGJ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000245452660 388580075 /nfs/dbraw/zinc/58/00/75/388580075.db2.gz QONSYUWEQSGOGJ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000245452660 388580076 /nfs/dbraw/zinc/58/00/76/388580076.db2.gz QONSYUWEQSGOGJ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247690090 388668587 /nfs/dbraw/zinc/66/85/87/388668587.db2.gz VTMUJJHESIKAFA-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247690090 388668588 /nfs/dbraw/zinc/66/85/88/388668588.db2.gz VTMUJJHESIKAFA-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247690090 388668589 /nfs/dbraw/zinc/66/85/89/388668589.db2.gz VTMUJJHESIKAFA-RYUDHWBXSA-N 2 1 214.353 1.295 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000247767324 388669394 /nfs/dbraw/zinc/66/93/94/388669394.db2.gz SUIYHDNQDAJEAX-FQUUOJAGSA-N 2 1 238.375 1.243 20 0 BDADMP CC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248013268 388672110 /nfs/dbraw/zinc/67/21/10/388672110.db2.gz LMBQXJKJYOZTOX-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179198 388620439 /nfs/dbraw/zinc/62/04/39/388620439.db2.gz QNKINISSJKIPOB-MNOVXSKESA-N 2 1 212.337 1.286 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000530177842 388621497 /nfs/dbraw/zinc/62/14/97/388621497.db2.gz IMDZYZDLDBLVCJ-MGPQQGTHSA-N 2 1 249.402 1.487 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CC(C)(C)C2)CCO1 ZINC000530212064 388627664 /nfs/dbraw/zinc/62/76/64/388627664.db2.gz OFIJFZWROBWPEN-CMPLNLGQSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1 ZINC000530212064 388627665 /nfs/dbraw/zinc/62/76/65/388627665.db2.gz OFIJFZWROBWPEN-CMPLNLGQSA-N 2 1 226.364 1.471 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530209241 388628215 /nfs/dbraw/zinc/62/82/15/388628215.db2.gz INLDJZCHGRYNTQ-LLVKDONJSA-N 2 1 210.365 1.964 20 0 BDADMP CC1(C)CC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000530219300 388631466 /nfs/dbraw/zinc/63/14/66/388631466.db2.gz GHSSPAJRFAUPGV-NEPJUHHUSA-N 2 1 208.349 1.716 20 0 BDADMP CC1(C)CC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000530219300 388631468 /nfs/dbraw/zinc/63/14/68/388631468.db2.gz GHSSPAJRFAUPGV-NEPJUHHUSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCCC[NH2+]1 ZINC000530219527 388631680 /nfs/dbraw/zinc/63/16/80/388631680.db2.gz JPFOGXUSTMSHBA-IGJPJIBNSA-N 2 1 224.348 1.286 20 0 BDADMP CC1(C)CC(C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000530220167 388631857 /nfs/dbraw/zinc/63/18/57/388631857.db2.gz SSOZLRHNACXVRS-LLVKDONJSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)CC(C[N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000530220167 388631860 /nfs/dbraw/zinc/63/18/60/388631860.db2.gz SSOZLRHNACXVRS-LLVKDONJSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@@H+]1C ZINC000246967559 388656685 /nfs/dbraw/zinc/65/66/85/388656685.db2.gz IFSAETZKOXPFIQ-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1C ZINC000246967559 388656687 /nfs/dbraw/zinc/65/66/87/388656687.db2.gz IFSAETZKOXPFIQ-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247044220 388657484 /nfs/dbraw/zinc/65/74/84/388657484.db2.gz OJCBEEGCSPXYIX-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247044220 388657485 /nfs/dbraw/zinc/65/74/85/388657485.db2.gz OJCBEEGCSPXYIX-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247044220 388657486 /nfs/dbraw/zinc/65/74/86/388657486.db2.gz OJCBEEGCSPXYIX-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)[C@@H](C)C1 ZINC000247113267 388658804 /nfs/dbraw/zinc/65/88/04/388658804.db2.gz PHDOKFSHFSXMJX-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCOC)C1 ZINC000247097059 388659175 /nfs/dbraw/zinc/65/91/75/388659175.db2.gz PUFMRCOLNBXLQX-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248645347 388687845 /nfs/dbraw/zinc/68/78/45/388687845.db2.gz QZWPCMXLBIOLFT-YVAWVJMJSA-N 2 1 226.364 1.386 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248645347 388687847 /nfs/dbraw/zinc/68/78/47/388687847.db2.gz QZWPCMXLBIOLFT-YVAWVJMJSA-N 2 1 226.364 1.386 20 0 BDADMP C[C@@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@H]1C ZINC000248745538 388692219 /nfs/dbraw/zinc/69/22/19/388692219.db2.gz RPWWCEZVRSEMQO-VXGBXAGGSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000249160047 388711524 /nfs/dbraw/zinc/71/15/24/388711524.db2.gz YNSSNUZMQMKBOJ-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC000249489796 388723610 /nfs/dbraw/zinc/72/36/10/388723610.db2.gz VBVHIQYDJUAVFV-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249489796 388723613 /nfs/dbraw/zinc/72/36/13/388723613.db2.gz VBVHIQYDJUAVFV-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nccs1 ZINC000252714539 388774883 /nfs/dbraw/zinc/77/48/83/388774883.db2.gz SFHXAKUBPBUYRE-GHMZBOCLSA-N 2 1 239.388 1.615 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@@H+]1C ZINC000252733468 388778363 /nfs/dbraw/zinc/77/83/63/388778363.db2.gz ZNAWAEVKCQSJIF-FDYHWXHSSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1C ZINC000252733468 388778367 /nfs/dbraw/zinc/77/83/67/388778367.db2.gz ZNAWAEVKCQSJIF-FDYHWXHSSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@@H](NC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000093978071 388857165 /nfs/dbraw/zinc/85/71/65/388857165.db2.gz AHOYTSCOKMUKDO-AAEUAGOBSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccncc2C)C1 ZINC000129864454 388873020 /nfs/dbraw/zinc/87/30/20/388873020.db2.gz XMRLPTMFMJTEOG-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccncc2C)C1 ZINC000129864454 388873024 /nfs/dbraw/zinc/87/30/24/388873024.db2.gz XMRLPTMFMJTEOG-GFCCVEGCSA-N 2 1 219.332 1.431 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166870 388919876 /nfs/dbraw/zinc/91/98/76/388919876.db2.gz VCGGDYGMGRQQPC-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166870 388919882 /nfs/dbraw/zinc/91/98/82/388919882.db2.gz VCGGDYGMGRQQPC-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166870 388919879 /nfs/dbraw/zinc/91/98/79/388919879.db2.gz VCGGDYGMGRQQPC-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166870 388919884 /nfs/dbraw/zinc/91/98/84/388919884.db2.gz VCGGDYGMGRQQPC-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000565166870 388919887 /nfs/dbraw/zinc/91/98/87/388919887.db2.gz VCGGDYGMGRQQPC-CHWSQXEVSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC(C)(C)C1 ZINC000565166873 388920099 /nfs/dbraw/zinc/92/00/99/388920099.db2.gz VCGGDYGMGRQQPC-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000565166873 388920096 /nfs/dbraw/zinc/92/00/96/388920096.db2.gz VCGGDYGMGRQQPC-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC(C)(C)C1 ZINC000565166873 388920102 /nfs/dbraw/zinc/92/01/02/388920102.db2.gz VCGGDYGMGRQQPC-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000565166873 388920108 /nfs/dbraw/zinc/92/01/08/388920108.db2.gz VCGGDYGMGRQQPC-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000565166873 388920106 /nfs/dbraw/zinc/92/01/06/388920106.db2.gz VCGGDYGMGRQQPC-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000565718151 388966290 /nfs/dbraw/zinc/96/62/90/388966290.db2.gz HKONPHPLPALHIG-IJLUTSLNSA-N 2 1 241.379 1.055 20 0 BDADMP CC[C@@H](COC)[NH2+]CCCn1cc[nH+]c1C ZINC000268886604 389006050 /nfs/dbraw/zinc/00/60/50/389006050.db2.gz SSAUAJYDDHHQPO-LBPRGKRZSA-N 2 1 225.336 1.596 20 0 BDADMP Cn1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271871595 389024846 /nfs/dbraw/zinc/02/48/46/389024846.db2.gz KMMDEQIJKBXISJ-UHFFFAOYSA-N 2 1 219.332 1.377 20 0 BDADMP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCC1 ZINC000261968705 533370447 /nfs/dbraw/zinc/37/04/47/533370447.db2.gz QHFNVRGYNVJDOA-BFHYXJOUSA-N 2 1 238.375 1.533 20 0 BDADMP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCC1 ZINC000261968713 533370756 /nfs/dbraw/zinc/37/07/56/533370756.db2.gz QHFNVRGYNVJDOA-MJBXVCDLSA-N 2 1 238.375 1.533 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257739684 533376363 /nfs/dbraw/zinc/37/63/63/533376363.db2.gz YQQCCEWKYYBERD-OLZOCXBDSA-N 2 1 240.416 1.815 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261537687 533377912 /nfs/dbraw/zinc/37/79/12/533377912.db2.gz WDOVRKWXQRPASI-IJLUTSLNSA-N 2 1 226.389 1.281 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000261542327 533378045 /nfs/dbraw/zinc/37/80/45/533378045.db2.gz GRDVDMIIHKJDGS-UTUOFQBUSA-N 2 1 226.389 1.566 20 0 BDADMP Cc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)cc[nH+]1 ZINC000290981180 132217676 /nfs/dbraw/zinc/21/76/76/132217676.db2.gz RPIBMACPERXUEV-UHFFFAOYSA-N 2 1 243.314 1.440 20 0 BDADMP Cc1c[nH+]ccc1N1CCC([N@@H+](C)CCO)CC1 ZINC000359469185 132276566 /nfs/dbraw/zinc/27/65/66/132276566.db2.gz AHAXHMDQGZXPFH-UHFFFAOYSA-N 2 1 249.358 1.283 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000167554799 134010704 /nfs/dbraw/zinc/01/07/04/134010704.db2.gz XXCHPIHEZIFPIM-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP COc1ccnc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000351959973 134018738 /nfs/dbraw/zinc/01/87/38/134018738.db2.gz RBIAYZOWEKQOIG-VXGBXAGGSA-N 2 1 249.358 1.615 20 0 BDADMP Cc1n[nH]cc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335945966 134019817 /nfs/dbraw/zinc/01/98/17/134019817.db2.gz ANZBMQXDGZCGOT-AWEZNQCLSA-N 2 1 248.374 1.636 20 0 BDADMP CC(C)[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000335951367 134021630 /nfs/dbraw/zinc/02/16/30/134021630.db2.gz SFBMIWNZMOVQEQ-TZMCWYRMSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000335951367 134021631 /nfs/dbraw/zinc/02/16/31/134021631.db2.gz SFBMIWNZMOVQEQ-TZMCWYRMSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@H]1[NH3+] ZINC000336054899 134065909 /nfs/dbraw/zinc/06/59/09/134065909.db2.gz RMCHNZWIAPFSJJ-TZMCWYRMSA-N 2 1 247.386 1.922 20 0 BDADMP Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000336069745 134071346 /nfs/dbraw/zinc/07/13/46/134071346.db2.gz ILXJMDHVQUDWCI-GFCCVEGCSA-N 2 1 228.299 1.435 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)O ZINC000352203204 134102723 /nfs/dbraw/zinc/10/27/23/134102723.db2.gz PYECPSNHHZGBTR-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC000352203204 134102724 /nfs/dbraw/zinc/10/27/24/134102724.db2.gz PYECPSNHHZGBTR-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC000352203204 134102725 /nfs/dbraw/zinc/10/27/25/134102725.db2.gz PYECPSNHHZGBTR-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168701789 134246552 /nfs/dbraw/zinc/24/65/52/134246552.db2.gz CKJSLPODJUYOHU-ZDUSSCGKSA-N 3 1 227.396 1.450 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000222045617 134329234 /nfs/dbraw/zinc/32/92/34/134329234.db2.gz ZHNXGMCHKZLRFA-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000222045617 134329235 /nfs/dbraw/zinc/32/92/35/134329235.db2.gz ZHNXGMCHKZLRFA-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000222045617 134329236 /nfs/dbraw/zinc/32/92/36/134329236.db2.gz ZHNXGMCHKZLRFA-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000222534979 134332959 /nfs/dbraw/zinc/33/29/59/134332959.db2.gz BFEBXNJHRLCPOD-MELADBBJSA-N 2 1 240.391 1.611 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222779726 134334134 /nfs/dbraw/zinc/33/41/34/134334134.db2.gz XWVWYXCDNRVOEB-GRYCIOLGSA-N 2 1 214.353 1.199 20 0 BDADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000224019060 134344478 /nfs/dbraw/zinc/34/44/78/134344478.db2.gz HICVIMXLQSQNIN-SDDRHHMPSA-N 2 1 246.420 1.030 20 0 BDADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000224019060 134344479 /nfs/dbraw/zinc/34/44/79/134344479.db2.gz HICVIMXLQSQNIN-SDDRHHMPSA-N 2 1 246.420 1.030 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)CC[N@H+]1C ZINC000224451360 134347714 /nfs/dbraw/zinc/34/77/14/134347714.db2.gz VCDSWLSTSXNZJF-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000224623717 134349603 /nfs/dbraw/zinc/34/96/03/134349603.db2.gz GOMXQUDRBACKBA-SDDRHHMPSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000224623717 134349604 /nfs/dbraw/zinc/34/96/04/134349604.db2.gz GOMXQUDRBACKBA-SDDRHHMPSA-N 2 1 226.389 1.423 20 0 BDADMP COCCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000226317375 134360166 /nfs/dbraw/zinc/36/01/66/134360166.db2.gz ZKQYOEIETVUZDL-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1cnn(C)c1 ZINC000226430126 134365615 /nfs/dbraw/zinc/36/56/15/134365615.db2.gz SPJXNKUKVMFTED-ZDUSSCGKSA-N 2 1 238.379 1.268 20 0 BDADMP COC[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226431500 134365857 /nfs/dbraw/zinc/36/58/57/134365857.db2.gz UEANTOOXDPLGQA-GHMZBOCLSA-N 2 1 202.342 1.327 20 0 BDADMP CO[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248389539 135001445 /nfs/dbraw/zinc/00/14/45/135001445.db2.gz SIUSUDKEISOSDJ-WOPDTQHZSA-N 2 1 212.337 1.238 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248450019 135011572 /nfs/dbraw/zinc/01/15/72/135011572.db2.gz XVOSWJNALVZZBV-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000071010998 135016767 /nfs/dbraw/zinc/01/67/67/135016767.db2.gz DZPWSUNZUDHHGB-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1oncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249276872 135027186 /nfs/dbraw/zinc/02/71/86/135027186.db2.gz MFJSLMSKJXQHPJ-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249276872 135027187 /nfs/dbraw/zinc/02/71/87/135027187.db2.gz MFJSLMSKJXQHPJ-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249276872 135027189 /nfs/dbraw/zinc/02/71/89/135027189.db2.gz MFJSLMSKJXQHPJ-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249276872 135027191 /nfs/dbraw/zinc/02/71/91/135027191.db2.gz MFJSLMSKJXQHPJ-JSGCOSHPSA-N 2 1 249.358 1.899 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000249042915 135030566 /nfs/dbraw/zinc/03/05/66/135030566.db2.gz HAAQTFBOXZUNJQ-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249052757 135031221 /nfs/dbraw/zinc/03/12/21/135031221.db2.gz XUXIEZKAWCCLOE-APYLGABCSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249727361 135044753 /nfs/dbraw/zinc/04/47/53/135044753.db2.gz QWCPPINYDBGYDO-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000249727361 135044755 /nfs/dbraw/zinc/04/47/55/135044755.db2.gz QWCPPINYDBGYDO-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000249727361 135044756 /nfs/dbraw/zinc/04/47/56/135044756.db2.gz QWCPPINYDBGYDO-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251801135 135078178 /nfs/dbraw/zinc/07/81/78/135078178.db2.gz YKLGLHWILXGARU-MCIONIFRSA-N 2 1 248.374 1.488 20 0 BDADMP C[NH2+]CCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251847187 135078977 /nfs/dbraw/zinc/07/89/77/135078977.db2.gz RBPUKRBPGHCNQQ-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000252160140 135086168 /nfs/dbraw/zinc/08/61/68/135086168.db2.gz PSNZWLHTSQLYNJ-MQYQWHSLSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000252160140 135086169 /nfs/dbraw/zinc/08/61/69/135086169.db2.gz PSNZWLHTSQLYNJ-MQYQWHSLSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1C ZINC000252212781 135086480 /nfs/dbraw/zinc/08/64/80/135086480.db2.gz YNPXCVUJEZCOCF-AGIUHOORSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1C ZINC000252212781 135086483 /nfs/dbraw/zinc/08/64/83/135086483.db2.gz YNPXCVUJEZCOCF-AGIUHOORSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1C ZINC000252212781 135086484 /nfs/dbraw/zinc/08/64/84/135086484.db2.gz YNPXCVUJEZCOCF-AGIUHOORSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000252190105 135086933 /nfs/dbraw/zinc/08/69/33/135086933.db2.gz UVFMYKFGSFMWDN-UPJWGTAASA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH3+])CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000252433293 135088935 /nfs/dbraw/zinc/08/89/35/135088935.db2.gz KRBIYCWSKXRIRN-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564605 135091898 /nfs/dbraw/zinc/09/18/98/135091898.db2.gz YDBSNLVOTKQDKL-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564605 135091901 /nfs/dbraw/zinc/09/19/01/135091901.db2.gz YDBSNLVOTKQDKL-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000252541164 135091970 /nfs/dbraw/zinc/09/19/70/135091970.db2.gz DKUVEQLLGKRZQL-MJBXVCDLSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000252541164 135091972 /nfs/dbraw/zinc/09/19/72/135091972.db2.gz DKUVEQLLGKRZQL-MJBXVCDLSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000086702812 135094861 /nfs/dbraw/zinc/09/48/61/135094861.db2.gz QSHMIBQSVNTFDV-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CN(c2cc[nH+]cc2Cl)CC[NH2+]1 ZINC000086832978 135097767 /nfs/dbraw/zinc/09/77/67/135097767.db2.gz RONKWDVLHWNBRF-QMMMGPOBSA-N 2 1 211.696 1.533 20 0 BDADMP [NH3+]C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000086839675 135098005 /nfs/dbraw/zinc/09/80/05/135098005.db2.gz WDFBCEBPQDSSAN-UHFFFAOYSA-N 2 1 211.696 1.663 20 0 BDADMP C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252705255 135098372 /nfs/dbraw/zinc/09/83/72/135098372.db2.gz PRCJHYAIXOXQMB-UPJWGTAASA-N 2 1 208.349 1.718 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000252708653 135098408 /nfs/dbraw/zinc/09/84/08/135098408.db2.gz ASUCNIZRSZTFMQ-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252709553 135099177 /nfs/dbraw/zinc/09/91/77/135099177.db2.gz DETZAPRDIPHGPT-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261534180 135108623 /nfs/dbraw/zinc/10/86/23/135108623.db2.gz ODQIBPBVVCZBJQ-CHWSQXEVSA-N 2 1 228.380 1.576 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261567841 135109736 /nfs/dbraw/zinc/10/97/36/135109736.db2.gz ITFFOCLJFVNHRC-SOUVJXGZSA-N 2 1 245.370 1.949 20 0 BDADMP CCCCC[N@H+]1CC[C@@H](OC)C[C@H]1CN ZINC000252779517 135109899 /nfs/dbraw/zinc/10/98/99/135109899.db2.gz RYYNQYVAAYFDFT-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252779517 135109900 /nfs/dbraw/zinc/10/99/00/135109900.db2.gz RYYNQYVAAYFDFT-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252779517 135109902 /nfs/dbraw/zinc/10/99/02/135109902.db2.gz RYYNQYVAAYFDFT-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CCc1nc(NC[C@H]([NH3+])C2CC2)cc(C)[nH+]1 ZINC000261569439 135110422 /nfs/dbraw/zinc/11/04/22/135110422.db2.gz GHSIXQQCGIGTQB-JTQLQIEISA-N 2 1 220.320 1.497 20 0 BDADMP C[C@@H]1SCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000253074157 135120206 /nfs/dbraw/zinc/12/02/06/135120206.db2.gz PKUOKWUKAAIKER-SDDRHHMPSA-N 2 1 228.405 1.812 20 0 BDADMP Cc1cscc1C[NH2+]C1CC[NH2+]CC1 ZINC000087309494 135122172 /nfs/dbraw/zinc/12/21/72/135122172.db2.gz YKVMRBUEXHKLOB-UHFFFAOYSA-N 2 1 210.346 1.898 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257646713 135137678 /nfs/dbraw/zinc/13/76/78/135137678.db2.gz CFIBDBTZZGODAT-CQSZACIVSA-N 2 1 248.374 1.222 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257646713 135137679 /nfs/dbraw/zinc/13/76/79/135137679.db2.gz CFIBDBTZZGODAT-CQSZACIVSA-N 2 1 248.374 1.222 20 0 BDADMP c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000257658940 135138315 /nfs/dbraw/zinc/13/83/15/135138315.db2.gz FXDXCFJJTDWCIE-UHFFFAOYSA-N 2 1 237.372 1.719 20 0 BDADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1CCCCO1 ZINC000257667423 135138503 /nfs/dbraw/zinc/13/85/03/135138503.db2.gz HPVYMUNJSOCJIJ-UONOGXRCSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@@H]1CCCCO1 ZINC000257667423 135138504 /nfs/dbraw/zinc/13/85/04/135138504.db2.gz HPVYMUNJSOCJIJ-UONOGXRCSA-N 2 1 238.375 1.774 20 0 BDADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000259199645 135139920 /nfs/dbraw/zinc/13/99/20/135139920.db2.gz WTVGJYSCAHWDJE-ZDUSSCGKSA-N 2 1 232.327 1.116 20 0 BDADMP Cc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cnn1C ZINC000257726554 135140416 /nfs/dbraw/zinc/14/04/16/135140416.db2.gz WNLYTDLZBJHPBE-CQSZACIVSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cnn1C ZINC000257726554 135140417 /nfs/dbraw/zinc/14/04/17/135140417.db2.gz WNLYTDLZBJHPBE-CQSZACIVSA-N 2 1 248.374 1.304 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257719342 135140647 /nfs/dbraw/zinc/14/06/47/135140647.db2.gz PICXSJUHUMHCNX-TZMCWYRMSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257719342 135140649 /nfs/dbraw/zinc/14/06/49/135140649.db2.gz PICXSJUHUMHCNX-TZMCWYRMSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@H](O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000257768412 135141678 /nfs/dbraw/zinc/14/16/78/135141678.db2.gz FLGYOOHUTFYXFX-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000261545337 135143623 /nfs/dbraw/zinc/14/36/23/135143623.db2.gz FYWYWJSIAOCGHK-FZMZJTMJSA-N 2 1 233.359 1.807 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261528045 135152517 /nfs/dbraw/zinc/15/25/17/135152517.db2.gz JBOATPLUCWCLGO-GHMZBOCLSA-N 2 1 214.378 1.281 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261528439 135153737 /nfs/dbraw/zinc/15/37/37/135153737.db2.gz LRYWBNLZRJVLCS-MNOVXSKESA-N 2 1 214.378 1.281 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261532846 135163454 /nfs/dbraw/zinc/16/34/54/135163454.db2.gz KKEHBGARZMRBAL-NWDGAFQWSA-N 2 1 228.405 1.671 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1C ZINC000261533373 135164860 /nfs/dbraw/zinc/16/48/60/135164860.db2.gz HJTMBTJTXOFESQ-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H](C)O ZINC000269680746 135166152 /nfs/dbraw/zinc/16/61/52/135166152.db2.gz DUHVBTXZYYCVTK-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H](C)O ZINC000269680746 135166155 /nfs/dbraw/zinc/16/61/55/135166155.db2.gz DUHVBTXZYYCVTK-NSHDSACASA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534519 135167563 /nfs/dbraw/zinc/16/75/63/135167563.db2.gz RRCUGPKUYSISFA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261534598 135168290 /nfs/dbraw/zinc/16/82/90/135168290.db2.gz MSHCAORFXDMQOK-GRYCIOLGSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]C2)CCCS1 ZINC000087793276 135172415 /nfs/dbraw/zinc/17/24/15/135172415.db2.gz DIOOYYNTYHEOIM-VHSXEESVSA-N 2 1 200.351 1.224 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccco1 ZINC000261537696 135175030 /nfs/dbraw/zinc/17/50/30/135175030.db2.gz WEEZCASXIANOCZ-DCAQKATOSA-N 2 1 208.305 1.928 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000261538991 135177460 /nfs/dbraw/zinc/17/74/60/135177460.db2.gz BHQKFWYAGSLIER-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261540429 135179230 /nfs/dbraw/zinc/17/92/30/135179230.db2.gz ADFMASSMHUHMNF-LSDHHAIUSA-N 2 1 230.355 1.913 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCCO1 ZINC000261540748 135180462 /nfs/dbraw/zinc/18/04/62/135180462.db2.gz HQCVBHMGKNJZDQ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CCc1cc(N2CCC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000084082215 135182832 /nfs/dbraw/zinc/18/28/32/135182832.db2.gz CFKMZYVNIBOKFG-LLVKDONJSA-N 2 1 220.320 1.275 20 0 BDADMP CCc1cc(NC[C@H]([NH3+])C2CC2)nc(C)[nH+]1 ZINC000084082441 135182886 /nfs/dbraw/zinc/18/28/86/135182886.db2.gz ZMVRWOJGFCSDFC-NSHDSACASA-N 2 1 220.320 1.497 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261543051 135184019 /nfs/dbraw/zinc/18/40/19/135184019.db2.gz CRFAIOXXQKBQFR-CHWSQXEVSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261543051 135184021 /nfs/dbraw/zinc/18/40/21/135184021.db2.gz CRFAIOXXQKBQFR-CHWSQXEVSA-N 2 1 231.343 1.431 20 0 BDADMP CN(C)[C@H](C[NH2+]CC(C)(C)[NH3+])c1ccccc1 ZINC000261543313 135184054 /nfs/dbraw/zinc/18/40/54/135184054.db2.gz CUPTWGABVVOCPO-CYBMUJFWSA-N 2 1 235.375 1.616 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261554199 135194047 /nfs/dbraw/zinc/19/40/47/135194047.db2.gz UAYHTNAICXZIKO-NEPJUHHUSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000261556402 135196333 /nfs/dbraw/zinc/19/63/33/135196333.db2.gz QNZYYPSDVMVFGV-QWHCGFSZSA-N 2 1 236.363 1.108 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261559688 135200222 /nfs/dbraw/zinc/20/02/22/135200222.db2.gz ZFRYNLIGGIIYKG-QWRGUYRKSA-N 2 1 214.353 1.328 20 0 BDADMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261564284 135206151 /nfs/dbraw/zinc/20/61/51/135206151.db2.gz HDYDETJVXIPETM-QEJZJMRPSA-N 2 1 246.354 1.864 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261565225 135207035 /nfs/dbraw/zinc/20/70/35/135207035.db2.gz CYNXXJPPPIUAFA-UWVGGRQHSA-N 2 1 237.734 1.781 20 0 BDADMP CCc1nc(N2CC[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261565265 135207809 /nfs/dbraw/zinc/20/78/09/135207809.db2.gz DAXXEFPJHHOCBF-JTQLQIEISA-N 2 1 220.320 1.132 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261565398 135208032 /nfs/dbraw/zinc/20/80/32/135208032.db2.gz YHYFIIUKHJNRIA-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261565398 135208034 /nfs/dbraw/zinc/20/80/34/135208034.db2.gz YHYFIIUKHJNRIA-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(O)c3)C[C@H]12 ZINC000261567430 135209702 /nfs/dbraw/zinc/20/97/02/135209702.db2.gz ZTJURKDUHLUGKG-KWCYVHTRSA-N 2 1 232.327 1.561 20 0 BDADMP C[C@@H]1CC[N@@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000163921289 135210702 /nfs/dbraw/zinc/21/07/02/135210702.db2.gz NNVRMDKQDSEFFF-OCCSQVGLSA-N 2 1 233.359 1.541 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261581745 135222550 /nfs/dbraw/zinc/22/25/50/135222550.db2.gz NWCJIWQYEZSGSL-OLZOCXBDSA-N 2 1 226.364 1.200 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261591454 135231912 /nfs/dbraw/zinc/23/19/12/135231912.db2.gz VJTJLCVPCDSZIU-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261591454 135231913 /nfs/dbraw/zinc/23/19/13/135231913.db2.gz VJTJLCVPCDSZIU-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C[NH2+]C1CC[NH+](CCc2scnc2C)CC1 ZINC000261596845 135237063 /nfs/dbraw/zinc/23/70/63/135237063.db2.gz YZAVKUDKKDJTTA-UHFFFAOYSA-N 2 1 239.388 1.678 20 0 BDADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1F ZINC000261598487 135237243 /nfs/dbraw/zinc/23/72/43/135237243.db2.gz ZOYQROJPYPPABJ-GXFFZTMASA-N 2 1 222.307 1.913 20 0 BDADMP Fc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261545929 135237354 /nfs/dbraw/zinc/23/73/54/135237354.db2.gz GKBVEKFFQSZRHF-CHWSQXEVSA-N 2 1 234.318 1.867 20 0 BDADMP Fc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261545929 135237356 /nfs/dbraw/zinc/23/73/56/135237356.db2.gz GKBVEKFFQSZRHF-CHWSQXEVSA-N 2 1 234.318 1.867 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261545980 135238792 /nfs/dbraw/zinc/23/87/92/135238792.db2.gz GNJOYDMIZFXODE-IHRRRGAJSA-N 2 1 231.343 1.559 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261545981 135238867 /nfs/dbraw/zinc/23/88/67/135238867.db2.gz GNJOYDMIZFXODE-MELADBBJSA-N 2 1 231.343 1.559 20 0 BDADMP Fc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261546930 135239652 /nfs/dbraw/zinc/23/96/52/135239652.db2.gz HMFQJVDPCPMFNL-YPMHNXCESA-N 2 1 234.318 1.867 20 0 BDADMP Fc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261546930 135239653 /nfs/dbraw/zinc/23/96/53/135239653.db2.gz HMFQJVDPCPMFNL-YPMHNXCESA-N 2 1 234.318 1.867 20 0 BDADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000261547175 135240061 /nfs/dbraw/zinc/24/00/61/135240061.db2.gz LZCJRMHMIYKEGF-HIFRSBDPSA-N 2 1 247.386 1.458 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CC2)C1 ZINC000261547121 135240091 /nfs/dbraw/zinc/24/00/91/135240091.db2.gz LWILBLWGQUSISJ-LBPRGKRZSA-N 2 1 208.349 1.862 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261660007 135243450 /nfs/dbraw/zinc/24/34/50/135243450.db2.gz IVPVCLTXSARVJE-ZDUSSCGKSA-N 2 1 233.359 1.700 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261698773 135246664 /nfs/dbraw/zinc/24/66/64/135246664.db2.gz HXQNFAZFDQUINA-CYBMUJFWSA-N 2 1 237.347 1.716 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261698773 135246666 /nfs/dbraw/zinc/24/66/66/135246666.db2.gz HXQNFAZFDQUINA-CYBMUJFWSA-N 2 1 237.347 1.716 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(N)c1 ZINC000261750050 135249670 /nfs/dbraw/zinc/24/96/70/135249670.db2.gz WICLNBOLCDEIEH-JQWIXIFHSA-N 2 1 219.332 1.438 20 0 BDADMP C[C@H]1CCC[N@H+](Cc2cccc(N)c2)[C@H]1C[NH3+] ZINC000261766511 135251338 /nfs/dbraw/zinc/25/13/38/135251338.db2.gz YQHZEPGADZEHMY-FZMZJTMJSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@H]1C[NH3+] ZINC000261766511 135251339 /nfs/dbraw/zinc/25/13/39/135251339.db2.gz YQHZEPGADZEHMY-FZMZJTMJSA-N 2 1 233.359 1.828 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261831505 135256003 /nfs/dbraw/zinc/25/60/03/135256003.db2.gz JBVKQFVAPFAVNR-WDEREUQCSA-N 2 1 242.363 1.245 20 0 BDADMP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CC1 ZINC000261853671 135257652 /nfs/dbraw/zinc/25/76/52/135257652.db2.gz BKHSJIVVHCXASB-AVGNSLFASA-N 2 1 224.348 1.143 20 0 BDADMP CCOc1cccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000261884832 135259835 /nfs/dbraw/zinc/25/98/35/135259835.db2.gz UXZCWQBATRTTIU-AWEZNQCLSA-N 2 1 249.358 1.651 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000261884832 135259837 /nfs/dbraw/zinc/25/98/37/135259837.db2.gz UXZCWQBATRTTIU-AWEZNQCLSA-N 2 1 249.358 1.651 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261935663 135264347 /nfs/dbraw/zinc/26/43/47/135264347.db2.gz LZEPCXKIAALOQD-NWDGAFQWSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261935663 135264349 /nfs/dbraw/zinc/26/43/49/135264349.db2.gz LZEPCXKIAALOQD-NWDGAFQWSA-N 2 1 236.363 1.633 20 0 BDADMP CCOC(=O)C[C@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261953968 135265696 /nfs/dbraw/zinc/26/56/96/135265696.db2.gz GKFAVNJUEIDVRW-WCQYABFASA-N 2 1 242.363 1.260 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261956372 135266073 /nfs/dbraw/zinc/26/60/73/135266073.db2.gz OSVPZATYNBMPKC-TUAOUCFPSA-N 2 1 226.364 1.328 20 0 BDADMP C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261953285 135266363 /nfs/dbraw/zinc/26/63/63/135266363.db2.gz OOVAVDFSBIMMLN-MGPQQGTHSA-N 2 1 238.375 1.676 20 0 BDADMP c1cn(C[C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cn1 ZINC000262002303 135271612 /nfs/dbraw/zinc/27/16/12/135271612.db2.gz UGQDLOFYCIZSKO-CQSZACIVSA-N 2 1 248.374 1.347 20 0 BDADMP CCN1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC000262013591 135273295 /nfs/dbraw/zinc/27/32/95/135273295.db2.gz VHMLGCFIEVJKKG-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP Cc1ccncc1C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262029476 135273628 /nfs/dbraw/zinc/27/36/28/135273628.db2.gz NYKIDURNCLAPMQ-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccncc1C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262029476 135273629 /nfs/dbraw/zinc/27/36/29/135273629.db2.gz NYKIDURNCLAPMQ-AWEZNQCLSA-N 2 1 233.359 1.821 20 0 BDADMP C[N@H+](CCc1ccccc1O)C[C@]1(C)CC[NH2+]C1 ZINC000262035877 135274478 /nfs/dbraw/zinc/27/44/78/135274478.db2.gz OOTTZEBPPXVIBN-OAHLLOKOSA-N 2 1 248.370 1.866 20 0 BDADMP C[N@@H+](CCc1ccccc1O)C[C@]1(C)CC[NH2+]C1 ZINC000262035877 135274480 /nfs/dbraw/zinc/27/44/80/135274480.db2.gz OOTTZEBPPXVIBN-OAHLLOKOSA-N 2 1 248.370 1.866 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOC1 ZINC000262050285 135275907 /nfs/dbraw/zinc/27/59/07/135275907.db2.gz ZNSRLGQZKNANRE-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCOC1 ZINC000262050285 135275909 /nfs/dbraw/zinc/27/59/09/135275909.db2.gz ZNSRLGQZKNANRE-XQQFMLRXSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262061765 135276502 /nfs/dbraw/zinc/27/65/02/135276502.db2.gz RFBOFONWQBVPSK-RWMBFGLXSA-N 2 1 226.364 1.079 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262092218 135278682 /nfs/dbraw/zinc/27/86/82/135278682.db2.gz UXBVZFUHSMLAQZ-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@H]1CN ZINC000262116250 135279884 /nfs/dbraw/zinc/27/98/84/135279884.db2.gz BKTBOXSDUBHWMS-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCCN(CC2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000262116250 135279885 /nfs/dbraw/zinc/27/98/85/135279885.db2.gz BKTBOXSDUBHWMS-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262129494 135280867 /nfs/dbraw/zinc/28/08/67/135280867.db2.gz NTRIIWMJRVOCAS-ZJUUUORDSA-N 2 1 236.306 1.327 20 0 BDADMP CCc1nc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000262310736 135292575 /nfs/dbraw/zinc/29/25/75/135292575.db2.gz YYJUPTAGJJJBEU-KOLCDFICSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1cnc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1C ZINC000342775901 135327291 /nfs/dbraw/zinc/32/72/91/135327291.db2.gz FZANHNKIGYVUNG-CHWSQXEVSA-N 2 1 248.374 1.397 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[NH3+])C1 ZINC000263061904 135330141 /nfs/dbraw/zinc/33/01/41/135330141.db2.gz VMHNMYDUWDQRBH-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000263168656 135337251 /nfs/dbraw/zinc/33/72/51/135337251.db2.gz QWBJVSHECYSICO-LBPRGKRZSA-N 2 1 238.379 1.514 20 0 BDADMP CCc1nc(N[C@@H]2CCC[C@@H]2[NH+](C)C)cc(C)[nH+]1 ZINC000342992632 135342799 /nfs/dbraw/zinc/34/27/99/135342799.db2.gz JIPOZCIATSOHNK-NEPJUHHUSA-N 2 1 248.374 1.664 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCCC[NH+]2CCCC2)C1 ZINC000347722933 136003422 /nfs/dbraw/zinc/00/34/22/136003422.db2.gz PFKMYEXIDJLBPK-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000348105960 136036925 /nfs/dbraw/zinc/03/69/25/136036925.db2.gz OWVRTGHPJDYQRP-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C(F)F)CC[N@@H+]1C ZINC000348152226 136039763 /nfs/dbraw/zinc/03/97/63/136039763.db2.gz BHJHPNKJPYHSFC-KYXWUPHJSA-N 2 1 218.291 1.712 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C(F)F)CC[N@H+]1C ZINC000348152226 136039764 /nfs/dbraw/zinc/03/97/64/136039764.db2.gz BHJHPNKJPYHSFC-KYXWUPHJSA-N 2 1 218.291 1.712 20 0 BDADMP COCC(C)(C)C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000348167240 136042230 /nfs/dbraw/zinc/04/22/30/136042230.db2.gz OXVFYXZQFRTULQ-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000348167240 136042231 /nfs/dbraw/zinc/04/22/31/136042231.db2.gz OXVFYXZQFRTULQ-VXGBXAGGSA-N 2 1 226.364 1.343 20 0 BDADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000335562277 136106506 /nfs/dbraw/zinc/10/65/06/136106506.db2.gz BKQHDQJJTXBGKT-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000335566771 136107873 /nfs/dbraw/zinc/10/78/73/136107873.db2.gz WCVHDCDOYHHVTC-CHWSQXEVSA-N 3 1 239.407 1.306 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCOC3)C2)C1 ZINC000335569731 136108817 /nfs/dbraw/zinc/10/88/17/136108817.db2.gz DAKKXWSPMIAGPM-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCCOC3)C2)C1 ZINC000335569731 136108818 /nfs/dbraw/zinc/10/88/18/136108818.db2.gz DAKKXWSPMIAGPM-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCCOC3)C2)C1 ZINC000335569731 136108819 /nfs/dbraw/zinc/10/88/19/136108819.db2.gz DAKKXWSPMIAGPM-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000649547186 397938502 /nfs/dbraw/zinc/93/85/02/397938502.db2.gz NIZGKKQYSUEZKD-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000649547186 397938507 /nfs/dbraw/zinc/93/85/07/397938507.db2.gz NIZGKKQYSUEZKD-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000649547186 397938511 /nfs/dbraw/zinc/93/85/11/397938511.db2.gz NIZGKKQYSUEZKD-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP CCc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000382415204 397947571 /nfs/dbraw/zinc/94/75/71/397947571.db2.gz GXCOMBSUBOSBKG-WDEREUQCSA-N 2 1 234.347 1.451 20 0 BDADMP COCCOCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376556 397956728 /nfs/dbraw/zinc/95/67/28/397956728.db2.gz YBVBUQAWPYKQOD-LBPRGKRZSA-N 2 1 244.379 1.112 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000649610225 397995773 /nfs/dbraw/zinc/99/57/73/397995773.db2.gz LIUVPWMWTOECRN-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CCc1nc(N[C@H]2CC[NH2+][C@@H](C)C2)cc(C)[nH+]1 ZINC000383071129 397997531 /nfs/dbraw/zinc/99/75/31/397997531.db2.gz QAVWUEFFCKMUSZ-ONGXEEELSA-N 2 1 234.347 1.322 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C1CC1 ZINC000414797579 398041573 /nfs/dbraw/zinc/04/15/73/398041573.db2.gz BGBFCIHAURNORW-GJZGRUSLSA-N 2 1 230.355 1.871 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CC[NH2+]C1 ZINC000382753125 397971671 /nfs/dbraw/zinc/97/16/71/397971671.db2.gz IYBGZFSBZMPRGT-KGLIPLIRSA-N 3 1 239.407 1.402 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000382803271 397979393 /nfs/dbraw/zinc/97/93/93/397979393.db2.gz ZUICDZAXBZOTGS-CYBMUJFWSA-N 2 1 238.331 1.597 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000382803271 397979401 /nfs/dbraw/zinc/97/94/01/397979401.db2.gz ZUICDZAXBZOTGS-CYBMUJFWSA-N 2 1 238.331 1.597 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000382784431 397980780 /nfs/dbraw/zinc/98/07/80/397980780.db2.gz WNFVDKIUCDCILP-GHMZBOCLSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000382784431 397980787 /nfs/dbraw/zinc/98/07/87/397980787.db2.gz WNFVDKIUCDCILP-GHMZBOCLSA-N 2 1 238.331 1.595 20 0 BDADMP Cc1nnsc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392906669 398060859 /nfs/dbraw/zinc/06/08/59/398060859.db2.gz VFTQUWOVDXWAHE-UHFFFAOYSA-N 2 1 238.360 1.198 20 0 BDADMP CC[C@H]1C[N@@H+](CCn2ccnc2C)[C@@H](C)CO1 ZINC000649735997 398076555 /nfs/dbraw/zinc/07/65/55/398076555.db2.gz UNOILNHQFVSJQW-AAEUAGOBSA-N 2 1 237.347 1.691 20 0 BDADMP CC[C@H]1CN(CCn2ccnc2C)[C@@H](C)CO1 ZINC000649735997 398076557 /nfs/dbraw/zinc/07/65/57/398076557.db2.gz UNOILNHQFVSJQW-AAEUAGOBSA-N 2 1 237.347 1.691 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C)cn1 ZINC000414829423 398050907 /nfs/dbraw/zinc/05/09/07/398050907.db2.gz AUCRWPNUYADERJ-LLVKDONJSA-N 2 1 207.321 1.335 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)[C@@H](C)O1 ZINC000384734473 398103474 /nfs/dbraw/zinc/10/34/74/398103474.db2.gz KIHZOSOKBAROCG-WYUUTHIRSA-N 2 1 212.337 1.284 20 0 BDADMP C[N@@H+](C[C@H]1CCOc2ccccc21)C1CC([NH3+])C1 ZINC000384849612 398111730 /nfs/dbraw/zinc/11/17/30/398111730.db2.gz BGKORUHYPVVYAI-PNESKVBLSA-N 2 1 246.354 1.974 20 0 BDADMP CCC1(O)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336712058 398134178 /nfs/dbraw/zinc/13/41/78/398134178.db2.gz RMDZARKOZHIRAN-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000259083841 322881994 /nfs/dbraw/zinc/88/19/94/322881994.db2.gz RHYDPXCIFWTEEK-VXGBXAGGSA-N 2 1 248.326 1.427 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000309420013 167214955 /nfs/dbraw/zinc/21/49/55/167214955.db2.gz JTCCATGKWTULIJ-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000383099284 487586538 /nfs/dbraw/zinc/58/65/38/487586538.db2.gz ZOELDUUMQACSGO-DGAVXFQQSA-N 2 1 240.391 1.597 20 0 BDADMP CC1(C)CCCC[C@H]1C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000662265179 409561636 /nfs/dbraw/zinc/56/16/36/409561636.db2.gz GCNLPGQAGFULKP-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662264616 409562260 /nfs/dbraw/zinc/56/22/60/409562260.db2.gz DXMPPBOZSHPHLN-XJFOESAGSA-N 2 1 220.360 1.718 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000662244606 409534454 /nfs/dbraw/zinc/53/44/54/409534454.db2.gz DUHXQKKHOQFSOS-VIFPVBQESA-N 2 1 237.351 1.106 20 0 BDADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252204 409548406 /nfs/dbraw/zinc/54/84/06/409548406.db2.gz MEJSNLKBUQWVDL-ZDUSSCGKSA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)C(C)C ZINC000662255362 409551319 /nfs/dbraw/zinc/55/13/19/409551319.db2.gz YCKLKMIIRRFKMF-QWHCGFSZSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1=CCCOC1 ZINC000662304716 409628101 /nfs/dbraw/zinc/62/81/01/409628101.db2.gz AEYUCIXPDWKTBO-GFCCVEGCSA-N 2 1 224.348 1.265 20 0 BDADMP COCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324594 409639742 /nfs/dbraw/zinc/63/97/42/409639742.db2.gz ZAHYTGVKQHVHIZ-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324595 409639760 /nfs/dbraw/zinc/63/97/60/409639760.db2.gz ZAHYTGVKQHVHIZ-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662270690 409575249 /nfs/dbraw/zinc/57/52/49/409575249.db2.gz CAUWONBMRWMYCK-QWRGUYRKSA-N 2 1 248.317 1.471 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000662283358 409611214 /nfs/dbraw/zinc/61/12/14/409611214.db2.gz MQKBPPKRMGNNOY-NHCYSSNCSA-N 2 1 237.347 1.788 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000662283358 409611220 /nfs/dbraw/zinc/61/12/20/409611220.db2.gz MQKBPPKRMGNNOY-NHCYSSNCSA-N 2 1 237.347 1.788 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662284430 409614466 /nfs/dbraw/zinc/61/44/66/409614466.db2.gz YEZMXBURYLWZCL-QWRGUYRKSA-N 2 1 237.347 1.654 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662284430 409614468 /nfs/dbraw/zinc/61/44/68/409614468.db2.gz YEZMXBURYLWZCL-QWRGUYRKSA-N 2 1 237.347 1.654 20 0 BDADMP CCCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000308791387 409905343 /nfs/dbraw/zinc/90/53/43/409905343.db2.gz BCXNMHWXTXBKLY-LBPRGKRZSA-N 2 1 216.369 1.419 20 0 BDADMP CCCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000308791387 409905347 /nfs/dbraw/zinc/90/53/47/409905347.db2.gz BCXNMHWXTXBKLY-LBPRGKRZSA-N 2 1 216.369 1.419 20 0 BDADMP CCCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000308791387 409905352 /nfs/dbraw/zinc/90/53/52/409905352.db2.gz BCXNMHWXTXBKLY-LBPRGKRZSA-N 2 1 216.369 1.419 20 0 BDADMP CCO[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@H]1C[NH3+] ZINC000405844083 409987154 /nfs/dbraw/zinc/98/71/54/409987154.db2.gz GSOFPMXMZCOEMG-VXGBXAGGSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH3+] ZINC000335253467 487612695 /nfs/dbraw/zinc/61/26/95/487612695.db2.gz VJQVXWKHNWANFY-GFCCVEGCSA-N 2 1 233.359 1.676 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCCC1 ZINC000309098010 410242782 /nfs/dbraw/zinc/24/27/82/410242782.db2.gz HQAZEWVHCJPJSL-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC1 ZINC000309098010 410242790 /nfs/dbraw/zinc/24/27/90/410242790.db2.gz HQAZEWVHCJPJSL-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000663514186 410285064 /nfs/dbraw/zinc/28/50/64/410285064.db2.gz OAXHQBIYHGFMRZ-QWRGUYRKSA-N 2 1 224.323 1.954 20 0 BDADMP Cn1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cn1 ZINC000650718326 410355292 /nfs/dbraw/zinc/35/52/92/410355292.db2.gz HDPNNLFQHFTOOG-UHFFFAOYSA-N 2 1 248.305 1.308 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1nccn1C ZINC000665282704 410761597 /nfs/dbraw/zinc/76/15/97/410761597.db2.gz AARKCQTYGHYNLT-AXFHLTTASA-N 2 1 222.336 1.198 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000665297723 410817135 /nfs/dbraw/zinc/81/71/35/410817135.db2.gz KHYIQMVBUMPQGU-SRVKXCTJSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](COC)C1CCCC1 ZINC000665298582 410830967 /nfs/dbraw/zinc/83/09/67/410830967.db2.gz YMQZGIUNQKEKJF-PWSUYJOCSA-N 2 1 214.353 1.389 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)C1 ZINC000308980718 410832030 /nfs/dbraw/zinc/83/20/30/410832030.db2.gz DUIQPRKADBWTPC-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)C1 ZINC000308980718 410832035 /nfs/dbraw/zinc/83/20/35/410832035.db2.gz DUIQPRKADBWTPC-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000308980718 410832041 /nfs/dbraw/zinc/83/20/41/410832041.db2.gz DUIQPRKADBWTPC-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000308980718 410832048 /nfs/dbraw/zinc/83/20/48/410832048.db2.gz DUIQPRKADBWTPC-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000665297650 410818298 /nfs/dbraw/zinc/81/82/98/410818298.db2.gz JEXMHYDCUUJJKD-RYUDHWBXSA-N 2 1 224.352 1.105 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](Cn1cccn1)C(C)C ZINC000665297651 410819416 /nfs/dbraw/zinc/81/94/16/410819416.db2.gz JEXMHYDCUUJJKD-VXGBXAGGSA-N 2 1 224.352 1.105 20 0 BDADMP CC(C)[NH2+]CCN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000375596110 167103698 /nfs/dbraw/zinc/10/36/98/167103698.db2.gz JHCSXCAJCNYWGS-GFCCVEGCSA-N 2 1 236.363 1.587 20 0 BDADMP CC(C)[NH2+]CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368318085 167107465 /nfs/dbraw/zinc/10/74/65/167107465.db2.gz PGOKVGVHOMXGJU-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP CC(C)OCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000221456409 167232388 /nfs/dbraw/zinc/23/23/88/167232388.db2.gz CULHHMXYUNBEGK-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000221456409 167232391 /nfs/dbraw/zinc/23/23/91/167232391.db2.gz CULHHMXYUNBEGK-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000683140595 487619928 /nfs/dbraw/zinc/61/99/28/487619928.db2.gz BHWIBPOUPNWVRK-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000398936571 410998216 /nfs/dbraw/zinc/99/82/16/410998216.db2.gz HTCBRGAWHAUCJN-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425533 411003977 /nfs/dbraw/zinc/00/39/77/411003977.db2.gz GJRWQSGRFXYQMH-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CCc1noc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000070170543 411137339 /nfs/dbraw/zinc/13/73/39/411137339.db2.gz HDLUROVYNBAHDB-SNVBAGLBSA-N 2 1 238.335 1.193 20 0 BDADMP CCc1noc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000070170543 411137340 /nfs/dbraw/zinc/13/73/40/411137340.db2.gz HDLUROVYNBAHDB-SNVBAGLBSA-N 2 1 238.335 1.193 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000302457913 411137744 /nfs/dbraw/zinc/13/77/44/411137744.db2.gz YFQRJSFOUZGDRV-AWEZNQCLSA-N 2 1 241.423 1.506 20 0 BDADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000651762601 411142160 /nfs/dbraw/zinc/14/21/60/411142160.db2.gz DTNSQBGCJFZYCI-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000651762601 411142161 /nfs/dbraw/zinc/14/21/61/411142161.db2.gz DTNSQBGCJFZYCI-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000651865149 411147978 /nfs/dbraw/zinc/14/79/78/411147978.db2.gz OVHNRCVCWAGKTI-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C[N@@H+](CC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000082666942 411152067 /nfs/dbraw/zinc/15/20/67/411152067.db2.gz GOWFRVUQZACSSW-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCc1noc2ccccc12 ZINC000655940342 411160521 /nfs/dbraw/zinc/16/05/21/411160521.db2.gz RSDYUDJDPNRVGX-UHFFFAOYSA-N 2 1 247.342 1.912 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1noc2ccccc12 ZINC000655940342 411160522 /nfs/dbraw/zinc/16/05/22/411160522.db2.gz RSDYUDJDPNRVGX-UHFFFAOYSA-N 2 1 247.342 1.912 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000653778940 411167855 /nfs/dbraw/zinc/16/78/55/411167855.db2.gz JPKUINXPBCWUKZ-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401000726 411168594 /nfs/dbraw/zinc/16/85/94/411168594.db2.gz BEHQWUQEHKNBFF-MELADBBJSA-N 3 1 248.374 1.169 20 0 BDADMP C[C@H]1C[NH2+]C[C@H](NCC[N@@H+](C)C2CCCC2)C1 ZINC000401737944 411170811 /nfs/dbraw/zinc/17/08/11/411170811.db2.gz PZLUNBXFNOFSEQ-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP COc1c(C)ncnc1NCC[N@@H+](C)C1CC1 ZINC000656111649 411181109 /nfs/dbraw/zinc/18/11/09/411181109.db2.gz WYVYHBTXQMXCAM-UHFFFAOYSA-N 2 1 236.319 1.300 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000655754899 411184272 /nfs/dbraw/zinc/18/42/72/411184272.db2.gz XMOPJAOBRMRNOD-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657983395 411188762 /nfs/dbraw/zinc/18/87/62/411188762.db2.gz TYZTYWBYYDECBV-NSHDSACASA-N 2 1 235.331 1.264 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199987 411204175 /nfs/dbraw/zinc/20/41/75/411204175.db2.gz DGXQJFGLJWBXIW-KGLIPLIRSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199987 411204179 /nfs/dbraw/zinc/20/41/79/411204179.db2.gz DGXQJFGLJWBXIW-KGLIPLIRSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199987 411204183 /nfs/dbraw/zinc/20/41/83/411204183.db2.gz DGXQJFGLJWBXIW-KGLIPLIRSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000652341163 411205847 /nfs/dbraw/zinc/20/58/47/411205847.db2.gz LKOMEWHYVIFODX-RKQHYHRCSA-N 2 1 240.391 1.514 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)[C@H]1CCC[NH2+]1 ZINC000656201235 411206147 /nfs/dbraw/zinc/20/61/47/411206147.db2.gz LADZTLZSCVLJQC-OUCADQQQSA-N 2 1 233.359 1.743 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCF)C2)C1 ZINC000652349204 411211178 /nfs/dbraw/zinc/21/11/78/411211178.db2.gz FMEPZIPHOAGZQQ-XQQFMLRXSA-N 2 1 244.354 1.564 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CC[NH3+] ZINC000652355682 411215572 /nfs/dbraw/zinc/21/55/72/411215572.db2.gz DHYHTRZUMXGEFS-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000658057876 411224115 /nfs/dbraw/zinc/22/41/15/411224115.db2.gz ZWUKZFRBWAVCSY-RJZJGCCBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccnc2C)CC[C@@H]1[NH3+] ZINC000310516697 411239706 /nfs/dbraw/zinc/23/97/06/411239706.db2.gz RVPUPYLGXVEBJG-OCCSQVGLSA-N 2 1 233.359 1.949 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658088386 411239915 /nfs/dbraw/zinc/23/99/15/411239915.db2.gz TXMVZLPVUDRXBV-CYBMUJFWSA-N 2 1 226.364 1.221 20 0 BDADMP c1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000111356924 411166711 /nfs/dbraw/zinc/16/67/11/411166711.db2.gz YTTCZAFETTUDMF-NWDGAFQWSA-N 2 1 220.320 1.126 20 0 BDADMP c1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000111356924 411166716 /nfs/dbraw/zinc/16/67/16/411166716.db2.gz YTTCZAFETTUDMF-NWDGAFQWSA-N 2 1 220.320 1.126 20 0 BDADMP C[C@@H](CN[C@@H]1CCCn2ccnc21)[N@@H+](C)C1CC1 ZINC000655714380 411267710 /nfs/dbraw/zinc/26/77/10/411267710.db2.gz BUKOOBFPKAJOOJ-WCQYABFASA-N 2 1 248.374 1.790 20 0 BDADMP CC[C@@H]([NH2+]C)c1nc(C2([NH3+])CCCC2)no1 ZINC000656561778 411302572 /nfs/dbraw/zinc/30/25/72/411302572.db2.gz WZVXANFMAORWRL-MRVPVSSYSA-N 2 1 224.308 1.468 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000658256828 411317293 /nfs/dbraw/zinc/31/72/93/411317293.db2.gz WCHKASFYHQFHAI-STQMWFEESA-N 2 1 238.375 1.364 20 0 BDADMP COC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805032 411317908 /nfs/dbraw/zinc/31/79/08/411317908.db2.gz ZSASFRCQKCAYHO-AVGNSLFASA-N 2 1 226.364 1.330 20 0 BDADMP c1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CCO2 ZINC000063012722 411332831 /nfs/dbraw/zinc/33/28/31/411332831.db2.gz RIZKDRHIWJPPRQ-CYBMUJFWSA-N 2 1 246.354 1.881 20 0 BDADMP c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CCO2 ZINC000063012722 411332834 /nfs/dbraw/zinc/33/28/34/411332834.db2.gz RIZKDRHIWJPPRQ-CYBMUJFWSA-N 2 1 246.354 1.881 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966726 411332810 /nfs/dbraw/zinc/33/28/10/411332810.db2.gz LWXAKWDSFAWCDQ-VXGBXAGGSA-N 2 1 205.305 1.533 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966726 411332813 /nfs/dbraw/zinc/33/28/13/411332813.db2.gz LWXAKWDSFAWCDQ-VXGBXAGGSA-N 2 1 205.305 1.533 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC12CCCC2 ZINC000656700488 411325455 /nfs/dbraw/zinc/32/54/55/411325455.db2.gz PCDBYWHRXLPIIY-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC12CCCC2 ZINC000656700488 411325456 /nfs/dbraw/zinc/32/54/56/411325456.db2.gz PCDBYWHRXLPIIY-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC12CCCC2 ZINC000656700488 411325460 /nfs/dbraw/zinc/32/54/60/411325460.db2.gz PCDBYWHRXLPIIY-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC12CCCC2 ZINC000656700488 411325462 /nfs/dbraw/zinc/32/54/62/411325462.db2.gz PCDBYWHRXLPIIY-ZDUSSCGKSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000653770067 411349259 /nfs/dbraw/zinc/34/92/59/411349259.db2.gz ULUXJUNWOQQHIN-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000653770067 411349262 /nfs/dbraw/zinc/34/92/62/411349262.db2.gz ULUXJUNWOQQHIN-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000653770067 411349264 /nfs/dbraw/zinc/34/92/64/411349264.db2.gz ULUXJUNWOQQHIN-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000653770067 411349267 /nfs/dbraw/zinc/34/92/67/411349267.db2.gz ULUXJUNWOQQHIN-JHJVBQTASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000404068225 411374220 /nfs/dbraw/zinc/37/42/20/411374220.db2.gz LCVFLMYDEZISJP-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC[NH2+]C ZINC000403869442 411363139 /nfs/dbraw/zinc/36/31/39/411363139.db2.gz YGZWWMVVMFAGSJ-NEPJUHHUSA-N 2 1 214.353 1.485 20 0 BDADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCC[NH2+]C ZINC000403869442 411363142 /nfs/dbraw/zinc/36/31/42/411363142.db2.gz YGZWWMVVMFAGSJ-NEPJUHHUSA-N 2 1 214.353 1.485 20 0 BDADMP c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)co1 ZINC000656785452 411364610 /nfs/dbraw/zinc/36/46/10/411364610.db2.gz HSSPHMLLAXFPNK-CYBMUJFWSA-N 2 1 249.358 1.886 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@]1(C)CO ZINC000662146605 411367846 /nfs/dbraw/zinc/36/78/46/411367846.db2.gz SFGUXDYHAXFLHU-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@]1(C)CO ZINC000662146605 411367850 /nfs/dbraw/zinc/36/78/50/411367850.db2.gz SFGUXDYHAXFLHU-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@]1(C)CO ZINC000662146605 411367852 /nfs/dbraw/zinc/36/78/52/411367852.db2.gz SFGUXDYHAXFLHU-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+]CC2(N)CCCC2)CC[NH2+]1 ZINC000656789522 411368647 /nfs/dbraw/zinc/36/86/47/411368647.db2.gz PMCTYUNWWFLVKX-NEPJUHHUSA-N 2 1 225.380 1.236 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788770 411369542 /nfs/dbraw/zinc/36/95/42/411369542.db2.gz YVKXRHOMPDSBHE-UHFFFAOYSA-N 2 1 222.336 1.388 20 0 BDADMP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000656789581 411369546 /nfs/dbraw/zinc/36/95/46/411369546.db2.gz RPZFGDLERZZWTF-FRRDWIJNSA-N 2 1 237.391 1.236 20 0 BDADMP Nc1ccc(C[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000656789564 411369643 /nfs/dbraw/zinc/36/96/43/411369643.db2.gz QXHZPCUAUJECGJ-UHFFFAOYSA-N 2 1 220.320 1.025 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3COC[C@@]3(C)C2)CC[NH2+]1 ZINC000656791492 411370652 /nfs/dbraw/zinc/37/06/52/411370652.db2.gz HRRUAOJCMURFOV-YIYPIFLZSA-N 2 1 238.375 1.343 20 0 BDADMP CC[C@@H](C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000656706069 411335107 /nfs/dbraw/zinc/33/51/07/411335107.db2.gz XYSMNSAOMOMPLE-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H](C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000656706069 411335110 /nfs/dbraw/zinc/33/51/10/411335110.db2.gz XYSMNSAOMOMPLE-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]CCCC1CCC1 ZINC000656709980 411335917 /nfs/dbraw/zinc/33/59/17/411335917.db2.gz GHEWPIHFUPIGET-CQSZACIVSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC)[C@@H](C)C1 ZINC000658330356 411338530 /nfs/dbraw/zinc/33/85/30/411338530.db2.gz CXUQZWGXELNXBP-LOWDOPEQSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)O1 ZINC000401842385 411346454 /nfs/dbraw/zinc/34/64/54/411346454.db2.gz OSIJLZHOYCVCBL-IRCOFANPSA-N 2 1 212.337 1.142 20 0 BDADMP CC1CC[NH+](CCN2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000336544613 168178760 /nfs/dbraw/zinc/17/87/60/168178760.db2.gz AVVLIFAJMNMCTK-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CCC(C)(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336677822 168286521 /nfs/dbraw/zinc/28/65/21/168286521.db2.gz WITYKICVRSNGNZ-LBPRGKRZSA-N 2 1 228.380 1.562 20 0 BDADMP CCC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336677822 168286523 /nfs/dbraw/zinc/28/65/23/168286523.db2.gz WITYKICVRSNGNZ-LBPRGKRZSA-N 2 1 228.380 1.562 20 0 BDADMP CCC(C)(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336677822 168286526 /nfs/dbraw/zinc/28/65/26/168286526.db2.gz WITYKICVRSNGNZ-LBPRGKRZSA-N 2 1 228.380 1.562 20 0 BDADMP CCC(C)(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336677822 168286528 /nfs/dbraw/zinc/28/65/28/168286528.db2.gz WITYKICVRSNGNZ-LBPRGKRZSA-N 2 1 228.380 1.562 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404370279 411392728 /nfs/dbraw/zinc/39/27/28/411392728.db2.gz IRFZZBCRKQBKQG-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])on1 ZINC000404376649 411392758 /nfs/dbraw/zinc/39/27/58/411392758.db2.gz KYNONUQTLKMFSZ-MFKMUULPSA-N 2 1 237.347 1.932 20 0 BDADMP Cc1[nH+]cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1C ZINC000657313377 411460892 /nfs/dbraw/zinc/46/08/92/411460892.db2.gz KVBSTYIUNZQZFJ-QWHCGFSZSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1[nH+]cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1C ZINC000657313377 411460893 /nfs/dbraw/zinc/46/08/93/411460893.db2.gz KVBSTYIUNZQZFJ-QWHCGFSZSA-N 2 1 248.374 1.445 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H](O)C1CC1 ZINC000653567047 411423237 /nfs/dbraw/zinc/42/32/37/411423237.db2.gz PUGOYRPZRVOPGA-CYBMUJFWSA-N 2 1 237.347 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000653567047 411423241 /nfs/dbraw/zinc/42/32/41/411423241.db2.gz PUGOYRPZRVOPGA-CYBMUJFWSA-N 2 1 237.347 1.055 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C[NH3+] ZINC000405425753 411428298 /nfs/dbraw/zinc/42/82/98/411428298.db2.gz GECSGOMLFZGHOP-HUUCEWRRSA-N 2 1 248.370 1.791 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1C[NH3+] ZINC000405423942 411428326 /nfs/dbraw/zinc/42/83/26/411428326.db2.gz FJBUERKUOJYEPN-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1C[NH3+] ZINC000405423942 411428329 /nfs/dbraw/zinc/42/83/29/411428329.db2.gz FJBUERKUOJYEPN-ZIAGYGMSSA-N 2 1 249.358 1.186 20 0 BDADMP CCc1nc(N2CCC(CC[NH3+])CC2)cc(C)[nH+]1 ZINC000306057015 411431942 /nfs/dbraw/zinc/43/19/42/411431942.db2.gz RJKHOEQOYCMGTL-UHFFFAOYSA-N 2 1 248.374 1.913 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000126442173 411437335 /nfs/dbraw/zinc/43/73/35/411437335.db2.gz HIFFUVSOJAFGJE-JSGCOSHPSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)CO1 ZINC000657292326 411453248 /nfs/dbraw/zinc/45/32/48/411453248.db2.gz HZPPUAYTTOUTKS-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1c[nH]c(CNC[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000657334726 411468443 /nfs/dbraw/zinc/46/84/43/411468443.db2.gz FTHSZDTVHBXRJA-LBPRGKRZSA-N 2 1 236.363 1.538 20 0 BDADMP Cc1c[nH]c(C[NH2+]CCCCn2cc[nH+]c2C)n1 ZINC000657375214 411482125 /nfs/dbraw/zinc/48/21/25/411482125.db2.gz WMIFJXUQWAZPIX-UHFFFAOYSA-N 2 1 247.346 1.793 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+]CC1(CCO)CCCC1 ZINC000415088254 411491896 /nfs/dbraw/zinc/49/18/96/411491896.db2.gz VZCXYUCGGRZUAO-UHFFFAOYSA-N 2 1 242.407 1.907 20 0 BDADMP C[C@H]1Cc2[nH+]cn(CC3C[NH2+]C3)c2C[C@@H]1C ZINC000309490254 411499308 /nfs/dbraw/zinc/49/93/08/411499308.db2.gz IIPBXAYCQRRLMX-UWVGGRQHSA-N 2 1 219.332 1.473 20 0 BDADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250239397 169976007 /nfs/dbraw/zinc/97/60/07/169976007.db2.gz HCIYRYRJQMSJJL-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250239397 169976009 /nfs/dbraw/zinc/97/60/09/169976009.db2.gz HCIYRYRJQMSJJL-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)O)C[C@@H]1C ZINC000360453863 170010455 /nfs/dbraw/zinc/01/04/55/170010455.db2.gz GWXFADIKJIWVRU-QWHCGFSZSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)O)C[C@@H]1C ZINC000360453863 170010456 /nfs/dbraw/zinc/01/04/56/170010456.db2.gz GWXFADIKJIWVRU-QWHCGFSZSA-N 2 1 242.407 1.952 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](CC)C2)C1 ZINC000657327161 411466638 /nfs/dbraw/zinc/46/66/38/411466638.db2.gz ZCOLYUNJPWJDSC-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000340189020 170016563 /nfs/dbraw/zinc/01/65/63/170016563.db2.gz SIGVGVBEZJMWOJ-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCO)C[C@H]1C ZINC000336714546 170017572 /nfs/dbraw/zinc/01/75/72/170017572.db2.gz UAEJZQYNOVVHIB-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCO)C[C@H]1C ZINC000336714546 170017573 /nfs/dbraw/zinc/01/75/73/170017573.db2.gz UAEJZQYNOVVHIB-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCO)C[C@H]1C ZINC000336714546 170017574 /nfs/dbraw/zinc/01/75/74/170017574.db2.gz UAEJZQYNOVVHIB-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)O)C[C@H]1C ZINC000360453862 170017712 /nfs/dbraw/zinc/01/77/12/170017712.db2.gz GWXFADIKJIWVRU-OLZOCXBDSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)O)C[C@H]1C ZINC000360453862 170017713 /nfs/dbraw/zinc/01/77/13/170017713.db2.gz GWXFADIKJIWVRU-OLZOCXBDSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)O)C[C@H]1C ZINC000360453862 170017715 /nfs/dbraw/zinc/01/77/15/170017715.db2.gz GWXFADIKJIWVRU-OLZOCXBDSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)O)[C@@H](C)C1 ZINC000336660719 170018125 /nfs/dbraw/zinc/01/81/25/170018125.db2.gz BCFLPVYLMXLEKT-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)O)[C@@H](C)C1 ZINC000336660719 170018127 /nfs/dbraw/zinc/01/81/27/170018127.db2.gz BCFLPVYLMXLEKT-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)O)[C@@H](C)C1 ZINC000336660719 170018128 /nfs/dbraw/zinc/01/81/28/170018128.db2.gz BCFLPVYLMXLEKT-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)C)[C@H](C)C1 ZINC000336694041 170018275 /nfs/dbraw/zinc/01/82/75/170018275.db2.gz IFINDLJHJOKYPX-RDBSUJKOSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)C(C)C)[C@H](C)C1 ZINC000336694041 170018277 /nfs/dbraw/zinc/01/82/77/170018277.db2.gz IFINDLJHJOKYPX-RDBSUJKOSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)C(C)C)[C@H](C)C1 ZINC000336694041 170018278 /nfs/dbraw/zinc/01/82/78/170018278.db2.gz IFINDLJHJOKYPX-RDBSUJKOSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000336717177 170019560 /nfs/dbraw/zinc/01/95/60/170019560.db2.gz WEQIMNQLBVDWTG-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000336717177 170019561 /nfs/dbraw/zinc/01/95/61/170019561.db2.gz WEQIMNQLBVDWTG-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000336717177 170019562 /nfs/dbraw/zinc/01/95/62/170019562.db2.gz WEQIMNQLBVDWTG-IHRRRGAJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CC2)[C@H](C)C1 ZINC000340492598 170021196 /nfs/dbraw/zinc/02/11/96/170021196.db2.gz RJNOZLQZJHMGHT-KWCYVHTRSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSC2)[C@@H](C)C1 ZINC000309046047 170022097 /nfs/dbraw/zinc/02/20/97/170022097.db2.gz OQFIGDHGNIYTMK-SRVKXCTJSA-N 2 1 228.405 1.812 20 0 BDADMP C[NH+]1CCC(NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000657523956 411540692 /nfs/dbraw/zinc/54/06/92/411540692.db2.gz MMCJZPOTIHPLQN-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP CCOC(=O)CC[N@@H+](C)C1CCN(CC)CC1 ZINC000042680402 170203916 /nfs/dbraw/zinc/20/39/16/170203916.db2.gz RWJHUMYKQXPSEU-UHFFFAOYSA-N 2 1 242.363 1.356 20 0 BDADMP CCOC(=O)CC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000042680402 170203920 /nfs/dbraw/zinc/20/39/20/170203920.db2.gz RWJHUMYKQXPSEU-UHFFFAOYSA-N 2 1 242.363 1.356 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657630218 411566658 /nfs/dbraw/zinc/56/66/58/411566658.db2.gz ZBPUVGULAOFQRZ-LBPRGKRZSA-N 2 1 224.348 1.382 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000314012728 411572810 /nfs/dbraw/zinc/57/28/10/411572810.db2.gz QYMBLRUIIQZJBU-KGLIPLIRSA-N 2 1 249.358 1.510 20 0 BDADMP CCOCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122351580 170374443 /nfs/dbraw/zinc/37/44/43/170374443.db2.gz LHTWJDQJAFYMFG-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C1CC1)C1(CO)CCC1 ZINC000660772426 411623644 /nfs/dbraw/zinc/62/36/44/411623644.db2.gz ZOXDDBRWKUZPNS-UHFFFAOYSA-N 2 1 249.358 1.571 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660772426 411623647 /nfs/dbraw/zinc/62/36/47/411623647.db2.gz ZOXDDBRWKUZPNS-UHFFFAOYSA-N 2 1 249.358 1.571 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000657704461 411583915 /nfs/dbraw/zinc/58/39/15/411583915.db2.gz GEIPGPUNJMHUBT-GFCCVEGCSA-N 2 1 226.364 1.079 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000314077718 411586704 /nfs/dbraw/zinc/58/67/04/411586704.db2.gz CYYBYVIUJXOKIE-NWDGAFQWSA-N 2 1 237.347 1.102 20 0 BDADMP CCOC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000044723673 170446383 /nfs/dbraw/zinc/44/63/83/170446383.db2.gz TWKPFLJYZOVALT-JTQLQIEISA-N 2 1 211.309 1.206 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000657786381 411595364 /nfs/dbraw/zinc/59/53/64/411595364.db2.gz PHXMMCCHRRKEOB-LLVKDONJSA-N 2 1 226.364 1.485 20 0 BDADMP FC(F)(F)CC[N@H+]1CCn2cncc2C1 ZINC000660579353 411603290 /nfs/dbraw/zinc/60/32/90/411603290.db2.gz WCTDWBWXRCGTMU-UHFFFAOYSA-N 2 1 219.210 1.651 20 0 BDADMP FC(F)(F)CCN1CCn2cncc2C1 ZINC000660579353 411603291 /nfs/dbraw/zinc/60/32/91/411603291.db2.gz WCTDWBWXRCGTMU-UHFFFAOYSA-N 2 1 219.210 1.651 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657841120 411609795 /nfs/dbraw/zinc/60/97/95/411609795.db2.gz NKCACWCEKYUOGZ-QWHCGFSZSA-N 2 1 248.374 1.649 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657841120 411609797 /nfs/dbraw/zinc/60/97/97/411609797.db2.gz NKCACWCEKYUOGZ-QWHCGFSZSA-N 2 1 248.374 1.649 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657842011 411610104 /nfs/dbraw/zinc/61/01/04/411610104.db2.gz SHWPLYKPDVQJAR-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP COCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656754 411614603 /nfs/dbraw/zinc/61/46/03/411614603.db2.gz XLQSOSTYFBEZFK-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP COCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656754 411614605 /nfs/dbraw/zinc/61/46/05/411614605.db2.gz XLQSOSTYFBEZFK-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP COCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656754 411614607 /nfs/dbraw/zinc/61/46/07/411614607.db2.gz XLQSOSTYFBEZFK-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCCC2)CCO1 ZINC000133337157 411711982 /nfs/dbraw/zinc/71/19/82/411711982.db2.gz TVAWOTIAYBNBKA-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCCC2)CCO1 ZINC000133337157 411711983 /nfs/dbraw/zinc/71/19/83/411711983.db2.gz TVAWOTIAYBNBKA-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)[C@H]1CC[NH3+] ZINC000663497464 411679001 /nfs/dbraw/zinc/67/90/01/411679001.db2.gz OSSMQFGFGZRKAH-MQYQWHSLSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)[C@H]1CC[NH3+] ZINC000663497464 411679002 /nfs/dbraw/zinc/67/90/02/411679002.db2.gz OSSMQFGFGZRKAH-MQYQWHSLSA-N 3 1 237.391 1.045 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000663513540 411695028 /nfs/dbraw/zinc/69/50/28/411695028.db2.gz KZHLXOQOUQXBAQ-YUMQZZPRSA-N 2 1 212.259 1.915 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661699677 411845046 /nfs/dbraw/zinc/84/50/46/411845046.db2.gz DSYTYWJEVIIYDR-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661715661 411856409 /nfs/dbraw/zinc/85/64/09/411856409.db2.gz NFWVWVPJANICJA-MELADBBJSA-N 2 1 238.375 1.318 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661827171 411892643 /nfs/dbraw/zinc/89/26/43/411892643.db2.gz MFLXCSVAMDRQNV-NWDGAFQWSA-N 2 1 235.331 1.085 20 0 BDADMP Cc1cc(NCC[C@H](C)[NH+](C)C)nc(C)[nH+]1 ZINC000664243195 411895309 /nfs/dbraw/zinc/89/53/09/411895309.db2.gz JPLWLRFCWINFCH-JTQLQIEISA-N 2 1 222.336 1.846 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966653 411921546 /nfs/dbraw/zinc/92/15/46/411921546.db2.gz LAJBOZMZAKYDPG-UPJWGTAASA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966653 411921553 /nfs/dbraw/zinc/92/15/53/411921553.db2.gz LAJBOZMZAKYDPG-UPJWGTAASA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966653 411921558 /nfs/dbraw/zinc/92/15/58/411921558.db2.gz LAJBOZMZAKYDPG-UPJWGTAASA-N 2 1 226.364 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966653 411921562 /nfs/dbraw/zinc/92/15/62/411921562.db2.gz LAJBOZMZAKYDPG-UPJWGTAASA-N 2 1 226.364 1.029 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661766686 411878851 /nfs/dbraw/zinc/87/88/51/411878851.db2.gz DZDUSAYWAVOYGH-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661766686 411878855 /nfs/dbraw/zinc/87/88/55/411878855.db2.gz DZDUSAYWAVOYGH-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP CC(C)=CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152769 412008381 /nfs/dbraw/zinc/00/83/81/412008381.db2.gz ZNYVFLRZMJYQGN-AWEZNQCLSA-N 2 1 238.375 1.484 20 0 BDADMP CC(C)=CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152769 412008382 /nfs/dbraw/zinc/00/83/82/412008382.db2.gz ZNYVFLRZMJYQGN-AWEZNQCLSA-N 2 1 238.375 1.484 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662039646 411957598 /nfs/dbraw/zinc/95/75/98/411957598.db2.gz YVOYUSHTXPDZKX-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662039646 411957602 /nfs/dbraw/zinc/95/76/02/411957602.db2.gz YVOYUSHTXPDZKX-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C1CCC1 ZINC000662243232 412038542 /nfs/dbraw/zinc/03/85/42/412038542.db2.gz GYBUIDVWTLTTOI-RAIGVLPGSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C1CCC1 ZINC000662243230 412038950 /nfs/dbraw/zinc/03/89/50/412038950.db2.gz GYBUIDVWTLTTOI-CYZMBNFOSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)=CCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000662246800 412043339 /nfs/dbraw/zinc/04/33/39/412043339.db2.gz RWJKPDCFKPASPO-UHFFFAOYSA-N 2 1 225.380 1.180 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CCC1 ZINC000662246381 412043540 /nfs/dbraw/zinc/04/35/40/412043540.db2.gz ROPLTMHPPIZTQZ-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662247923 412045255 /nfs/dbraw/zinc/04/52/55/412045255.db2.gz OOUXPAZWCUIZOS-WJTVCTBASA-N 2 1 224.348 1.081 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662247923 412045256 /nfs/dbraw/zinc/04/52/56/412045256.db2.gz OOUXPAZWCUIZOS-WJTVCTBASA-N 2 1 224.348 1.081 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258698 412053398 /nfs/dbraw/zinc/05/33/98/412053398.db2.gz ZCDBKUDNOPYZGB-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259030 412053961 /nfs/dbraw/zinc/05/39/61/412053961.db2.gz OMYURUKUEAANPA-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(C2CC2)no1 ZINC000662264749 412055440 /nfs/dbraw/zinc/05/54/40/412055440.db2.gz KMWBHJGEEJCNAG-ZJUUUORDSA-N 2 1 235.331 1.721 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(C2CC2)no1 ZINC000662264749 412055442 /nfs/dbraw/zinc/05/54/42/412055442.db2.gz KMWBHJGEEJCNAG-ZJUUUORDSA-N 2 1 235.331 1.721 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662266754 412057706 /nfs/dbraw/zinc/05/77/06/412057706.db2.gz OSVLQJAAJTWGKL-AEJSXWLSSA-N 2 1 234.290 1.080 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000662271530 412062426 /nfs/dbraw/zinc/06/24/26/412062426.db2.gz VVXOLZAQZFSHON-ZYHUDNBSSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000662271530 412062430 /nfs/dbraw/zinc/06/24/30/412062430.db2.gz VVXOLZAQZFSHON-ZYHUDNBSSA-N 2 1 237.347 1.796 20 0 BDADMP Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)[nH]1 ZINC000662272515 412063325 /nfs/dbraw/zinc/06/33/25/412063325.db2.gz OJIRUMDFKABXDV-MWLCHTKSSA-N 2 1 237.351 1.235 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275705 412067413 /nfs/dbraw/zinc/06/74/13/412067413.db2.gz HDQYRXAKYRKJHD-RKQHYHRCSA-N 2 1 220.360 1.716 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275705 412067414 /nfs/dbraw/zinc/06/74/14/412067414.db2.gz HDQYRXAKYRKJHD-RKQHYHRCSA-N 2 1 220.360 1.716 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](CC2CC=CC2)CCCO1 ZINC000662280372 412071547 /nfs/dbraw/zinc/07/15/47/412071547.db2.gz CTPVENUYBUVRIT-LBPRGKRZSA-N 2 1 210.321 1.002 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CC=CC2)CCCO1 ZINC000662280372 412071549 /nfs/dbraw/zinc/07/15/49/412071549.db2.gz CTPVENUYBUVRIT-LBPRGKRZSA-N 2 1 210.321 1.002 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)nc(C)n1 ZINC000662282267 412073022 /nfs/dbraw/zinc/07/30/22/412073022.db2.gz ODZLXBKMFRYVMF-ZWNOBZJWSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)nc(C)n1 ZINC000662282267 412073023 /nfs/dbraw/zinc/07/30/23/412073023.db2.gz ODZLXBKMFRYVMF-ZWNOBZJWSA-N 2 1 248.374 1.510 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C1CCC1 ZINC000662280833 412073138 /nfs/dbraw/zinc/07/31/38/412073138.db2.gz GECCOVXTEAQBCX-MRVWCRGKSA-N 2 1 240.391 1.718 20 0 BDADMP C[N@H+](CCN)CC[C@@H]1CCc2ccccc21 ZINC000662281864 412073348 /nfs/dbraw/zinc/07/33/48/412073348.db2.gz QKPDVAVUXKTKFY-ZDUSSCGKSA-N 2 1 218.344 1.997 20 0 BDADMP C[N@@H+](CCN)CC[C@@H]1CCc2ccccc21 ZINC000662281864 412073352 /nfs/dbraw/zinc/07/33/52/412073352.db2.gz QKPDVAVUXKTKFY-ZDUSSCGKSA-N 2 1 218.344 1.997 20 0 BDADMP C[N@H+](CC[NH3+])CC[C@@H]1CCc2ccccc21 ZINC000662281864 412073355 /nfs/dbraw/zinc/07/33/55/412073355.db2.gz QKPDVAVUXKTKFY-ZDUSSCGKSA-N 2 1 218.344 1.997 20 0 BDADMP C[N@@H+](CC[NH3+])CC[C@@H]1CCc2ccccc21 ZINC000662281864 412073361 /nfs/dbraw/zinc/07/33/61/412073361.db2.gz QKPDVAVUXKTKFY-ZDUSSCGKSA-N 2 1 218.344 1.997 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358230048 171298898 /nfs/dbraw/zinc/29/88/98/171298898.db2.gz GNLWZALNCBPCME-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358230048 171298900 /nfs/dbraw/zinc/29/89/00/171298900.db2.gz GNLWZALNCBPCME-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP COCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297397 412083815 /nfs/dbraw/zinc/08/38/15/412083815.db2.gz PDMBCROWMODRRT-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@H](C)[N@@H+](CCn1ccnc1)CC(=O)OC ZINC000281271298 171315829 /nfs/dbraw/zinc/31/58/29/171315829.db2.gz HYBYYXIQIXSHDS-NSHDSACASA-N 2 1 239.319 1.157 20 0 BDADMP CC[C@H](C)[C@@H](C)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357079854 171361910 /nfs/dbraw/zinc/36/19/10/171361910.db2.gz LPMCUGVRVLDIMR-NWDGAFQWSA-N 2 1 228.380 1.861 20 0 BDADMP OCC[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000662298980 412086594 /nfs/dbraw/zinc/08/65/94/412086594.db2.gz IDAVXADSHJNECW-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305111664 171403493 /nfs/dbraw/zinc/40/34/93/171403493.db2.gz GEBJVDUWZLMOLK-RFQIPJPRSA-N 2 1 242.407 1.713 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CCC1CCCC1 ZINC000662303427 412089108 /nfs/dbraw/zinc/08/91/08/412089108.db2.gz DISQJMOXNPPVCW-UHFFFAOYSA-N 2 1 208.349 1.990 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000662302132 412089486 /nfs/dbraw/zinc/08/94/86/412089486.db2.gz XDLLNMGCYXPBHG-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)CC1=CCCOC1 ZINC000662305553 412090257 /nfs/dbraw/zinc/09/02/57/412090257.db2.gz JHLAXUMNCGZZNJ-UHFFFAOYSA-N 2 1 238.375 1.655 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCCOC2)[C@H]1CC[NH2+]C1 ZINC000662315958 412095788 /nfs/dbraw/zinc/09/57/88/412095788.db2.gz RJFVQDHLFUJZJK-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C)C1CC1 ZINC000662345457 412114212 /nfs/dbraw/zinc/11/42/12/412114212.db2.gz YRNSSGHNXZLNKG-WCQYABFASA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H]1CC1(C)C)C1CC1 ZINC000662345457 412114214 /nfs/dbraw/zinc/11/42/14/412114214.db2.gz YRNSSGHNXZLNKG-WCQYABFASA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CC1(C)C ZINC000662345457 412114218 /nfs/dbraw/zinc/11/42/18/412114218.db2.gz YRNSSGHNXZLNKG-WCQYABFASA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CC1(C)C ZINC000662345457 412114221 /nfs/dbraw/zinc/11/42/21/412114221.db2.gz YRNSSGHNXZLNKG-WCQYABFASA-N 2 1 240.391 1.419 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]C/C=C/CO)c2ccccc21 ZINC000665238848 412180529 /nfs/dbraw/zinc/18/05/29/412180529.db2.gz FZQUDHUGIDULQQ-HNFMAKEJSA-N 2 1 218.300 1.269 20 0 BDADMP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@H]2CCCO[C@@H]21 ZINC000665242574 412187372 /nfs/dbraw/zinc/18/73/72/412187372.db2.gz BMODXOXRZILATL-QCNOEVLYSA-N 2 1 224.348 1.142 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000665244452 412189822 /nfs/dbraw/zinc/18/98/22/412189822.db2.gz NRBDZOUJPRQUOB-DTWKUNHWSA-N 2 1 209.293 1.180 20 0 BDADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665246827 412190701 /nfs/dbraw/zinc/19/07/01/412190701.db2.gz OZZYPNGVAFQBEK-GFCCVEGCSA-N 2 1 248.374 1.659 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665249595 412195104 /nfs/dbraw/zinc/19/51/04/412195104.db2.gz UAQLERXIABXKGL-GFCCVEGCSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@@H]([NH2+]CCc1ccoc1)[C@H]1CCCC[NH2+]1 ZINC000665263536 412206797 /nfs/dbraw/zinc/20/67/97/412206797.db2.gz OOBYPTVYWLDINP-DGCLKSJQSA-N 2 1 222.332 1.942 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)c1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000665232457 412169674 /nfs/dbraw/zinc/16/96/74/412169674.db2.gz NCNVUKMVSIXTQA-SCRDCRAPSA-N 2 1 233.359 1.915 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccn1 ZINC000665232969 412172593 /nfs/dbraw/zinc/17/25/93/412172593.db2.gz YMRORLCSBNAQIU-YRGRVCCFSA-N 2 1 233.359 1.773 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000665276103 412216633 /nfs/dbraw/zinc/21/66/33/412216633.db2.gz YLLVSYYIUMVANU-UBHSHLNASA-N 2 1 240.391 1.922 20 0 BDADMP C[N@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@@H]2CCC[C@@H]21 ZINC000665279622 412222518 /nfs/dbraw/zinc/22/25/18/412222518.db2.gz HNFNXGLDEPXQDN-CQKDUHAVSA-N 2 1 249.402 1.201 20 0 BDADMP Cc1nccnc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281803 412225039 /nfs/dbraw/zinc/22/50/39/412225039.db2.gz LBTHWWSRWCZYLP-ZYHUDNBSSA-N 2 1 236.363 1.809 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)nn1C ZINC000665282106 412225944 /nfs/dbraw/zinc/22/59/44/412225944.db2.gz QVKIFPJACJAYEK-VXGBXAGGSA-N 2 1 238.379 1.753 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000665294393 412237900 /nfs/dbraw/zinc/23/79/00/412237900.db2.gz NVLMYOGHHGWYKP-VHSXEESVSA-N 2 1 212.362 1.877 20 0 BDADMP C[C@@H]([NH2+]CCOCCF)c1c[nH+]ccc1N ZINC000665299243 412247873 /nfs/dbraw/zinc/24/78/73/412247873.db2.gz JFYMZAFQYDOGLP-SECBINFHSA-N 2 1 227.283 1.131 20 0 BDADMP C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[N@H+]1C ZINC000132947014 412374089 /nfs/dbraw/zinc/37/40/89/412374089.db2.gz COXPFZLUEBXOID-MNOVXSKESA-N 2 1 241.379 1.103 20 0 BDADMP CCn1cc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000062072646 172169909 /nfs/dbraw/zinc/16/99/09/172169909.db2.gz MIPAIEOYMSHXQO-UHFFFAOYSA-N 2 1 236.363 1.479 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163400309 172268559 /nfs/dbraw/zinc/26/85/59/172268559.db2.gz UAHGIGXCRGUNSK-NWDGAFQWSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163400309 172268560 /nfs/dbraw/zinc/26/85/60/172268560.db2.gz UAHGIGXCRGUNSK-NWDGAFQWSA-N 2 1 236.363 1.320 20 0 BDADMP CN(C)C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000061644413 172487080 /nfs/dbraw/zinc/48/70/80/172487080.db2.gz GXIYDZCFNRZAQP-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]cc1Cl ZINC000178600366 172499805 /nfs/dbraw/zinc/49/98/05/172499805.db2.gz BFKZNUVPDFXCND-LLVKDONJSA-N 2 1 243.738 1.460 20 0 BDADMP C[N@@H+](CCOc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000226434392 172772053 /nfs/dbraw/zinc/77/20/53/172772053.db2.gz VZSHMLDXRAMFKG-CQSZACIVSA-N 2 1 248.370 1.997 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368333753 173005747 /nfs/dbraw/zinc/00/57/47/173005747.db2.gz GQZSKECUUFHUOD-MQYQWHSLSA-N 2 1 238.375 1.031 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368333753 173005749 /nfs/dbraw/zinc/00/57/49/173005749.db2.gz GQZSKECUUFHUOD-MQYQWHSLSA-N 2 1 238.375 1.031 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368333753 173005750 /nfs/dbraw/zinc/00/57/50/173005750.db2.gz GQZSKECUUFHUOD-MQYQWHSLSA-N 2 1 238.375 1.031 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000352708735 173026538 /nfs/dbraw/zinc/02/65/38/173026538.db2.gz XMQJFLYWTSQJGR-KGLIPLIRSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](n2cncn2)C1 ZINC000364536330 173027164 /nfs/dbraw/zinc/02/71/64/173027164.db2.gz ZPEGWJDLKMHYIS-CHWSQXEVSA-N 2 1 249.362 1.009 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364536330 173027169 /nfs/dbraw/zinc/02/71/69/173027169.db2.gz ZPEGWJDLKMHYIS-CHWSQXEVSA-N 2 1 249.362 1.009 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364536330 173027171 /nfs/dbraw/zinc/02/71/71/173027171.db2.gz ZPEGWJDLKMHYIS-CHWSQXEVSA-N 2 1 249.362 1.009 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCC[C@@H]1O ZINC000352699403 173029029 /nfs/dbraw/zinc/02/90/29/173029029.db2.gz QRINWZYJSIESRI-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@@H]1O ZINC000352699403 173029030 /nfs/dbraw/zinc/02/90/30/173029030.db2.gz QRINWZYJSIESRI-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[C@@H]1O ZINC000352699403 173029032 /nfs/dbraw/zinc/02/90/32/173029032.db2.gz QRINWZYJSIESRI-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCCO)C1CC1 ZINC000305717265 173029305 /nfs/dbraw/zinc/02/93/05/173029305.db2.gz HZWQTOQGDCFKND-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCCO)C1CC1 ZINC000305717265 173029307 /nfs/dbraw/zinc/02/93/07/173029307.db2.gz HZWQTOQGDCFKND-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCCO)C1CC1 ZINC000305717265 173029308 /nfs/dbraw/zinc/02/93/08/173029308.db2.gz HZWQTOQGDCFKND-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C)COC3)CC[C@H]21 ZINC000336689561 173036213 /nfs/dbraw/zinc/03/62/13/173036213.db2.gz HSZZJYRTKZKMMF-CHWSQXEVSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C)COC3)CC[C@H]21 ZINC000336689561 173036217 /nfs/dbraw/zinc/03/62/17/173036217.db2.gz HSZZJYRTKZKMMF-CHWSQXEVSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C)COC3)CC[C@H]21 ZINC000336689561 173036219 /nfs/dbraw/zinc/03/62/19/173036219.db2.gz HSZZJYRTKZKMMF-CHWSQXEVSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000044534734 173042406 /nfs/dbraw/zinc/04/24/06/173042406.db2.gz LQLWNQIOPXKVCG-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000044534734 173042408 /nfs/dbraw/zinc/04/24/08/173042408.db2.gz LQLWNQIOPXKVCG-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H](CO)C1 ZINC000372880292 173051798 /nfs/dbraw/zinc/05/17/98/173051798.db2.gz KUYRQVZDYORSQP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H](CO)C1 ZINC000372880292 173051799 /nfs/dbraw/zinc/05/17/99/173051799.db2.gz KUYRQVZDYORSQP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H](CO)C1 ZINC000372880292 173051800 /nfs/dbraw/zinc/05/18/00/173051800.db2.gz KUYRQVZDYORSQP-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CO)CC1 ZINC000339750622 173051814 /nfs/dbraw/zinc/05/18/14/173051814.db2.gz OIRKECHBJWMBGP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339750622 173051815 /nfs/dbraw/zinc/05/18/15/173051815.db2.gz OIRKECHBJWMBGP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CO)CC1 ZINC000339750622 173051816 /nfs/dbraw/zinc/05/18/16/173051816.db2.gz OIRKECHBJWMBGP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+]2CCC[C@H]2C1 ZINC000245607081 173054761 /nfs/dbraw/zinc/05/47/61/173054761.db2.gz KGJAJHMWYSPBCE-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245607081 173054763 /nfs/dbraw/zinc/05/47/63/173054763.db2.gz KGJAJHMWYSPBCE-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000245607081 173054764 /nfs/dbraw/zinc/05/47/64/173054764.db2.gz KGJAJHMWYSPBCE-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cccnc3)C2)C1 ZINC000292094535 173138292 /nfs/dbraw/zinc/13/82/92/173138292.db2.gz HCUFVGCVXFHEEU-OAHLLOKOSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cccnc3)C2)C1 ZINC000292094535 173138293 /nfs/dbraw/zinc/13/82/93/173138293.db2.gz HCUFVGCVXFHEEU-OAHLLOKOSA-N 2 1 245.370 1.652 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cccnc3)C2)C1 ZINC000292094535 173138296 /nfs/dbraw/zinc/13/82/96/173138296.db2.gz HCUFVGCVXFHEEU-OAHLLOKOSA-N 2 1 245.370 1.652 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCn3ccnc3)C2)C1 ZINC000366518833 173138936 /nfs/dbraw/zinc/13/89/36/173138936.db2.gz IMLLNQAAWMCCTL-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCn3ccnc3)C2)C1 ZINC000366518833 173138937 /nfs/dbraw/zinc/13/89/37/173138937.db2.gz IMLLNQAAWMCCTL-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCn3ccnc3)C2)C1 ZINC000366518833 173138939 /nfs/dbraw/zinc/13/89/39/173138939.db2.gz IMLLNQAAWMCCTL-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000335642485 173139937 /nfs/dbraw/zinc/13/99/37/173139937.db2.gz WPFXPKNXOYXHBS-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000335642485 173139939 /nfs/dbraw/zinc/13/99/39/173139939.db2.gz WPFXPKNXOYXHBS-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)[C@H]2CCC[C@H]21 ZINC000368616483 173152493 /nfs/dbraw/zinc/15/24/93/173152493.db2.gz SZRJXOICMFQJPW-FRRDWIJNSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCCO)[C@@H]2CCC[C@@H]21 ZINC000353609588 173153549 /nfs/dbraw/zinc/15/35/49/173153549.db2.gz TZCHOLBZTOVEHM-IHRRRGAJSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCCO)C2)C1 ZINC000309346833 173168615 /nfs/dbraw/zinc/16/86/15/173168615.db2.gz MJHXGNXCSVCPNH-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCCO)C2)C1 ZINC000309346833 173168618 /nfs/dbraw/zinc/16/86/18/173168618.db2.gz MJHXGNXCSVCPNH-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCCO)C2)C1 ZINC000309346833 173168621 /nfs/dbraw/zinc/16/86/21/173168621.db2.gz MJHXGNXCSVCPNH-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCSC3)C[C@@H]2C1 ZINC000365941501 173197578 /nfs/dbraw/zinc/19/75/78/173197578.db2.gz OQGNWDKDBAZZLC-UTUOFQBUSA-N 2 1 226.389 1.233 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCSC3)C[C@@H]2C1 ZINC000365941501 173197580 /nfs/dbraw/zinc/19/75/80/173197580.db2.gz OQGNWDKDBAZZLC-UTUOFQBUSA-N 2 1 226.389 1.233 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCSC3)C[C@@H]2C1 ZINC000365941501 173197582 /nfs/dbraw/zinc/19/75/82/173197582.db2.gz OQGNWDKDBAZZLC-UTUOFQBUSA-N 2 1 226.389 1.233 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2cc(C)on2)CC1 ZINC000070190023 173342857 /nfs/dbraw/zinc/34/28/57/173342857.db2.gz GPYNOLIFEOELIF-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cc(OC)ccc1OC ZINC000040719715 173348696 /nfs/dbraw/zinc/34/86/96/173348696.db2.gz YLCWHGAUFZWTBP-UHFFFAOYSA-N 2 1 238.331 1.403 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccc(F)c(OC)c1 ZINC000083354774 173348997 /nfs/dbraw/zinc/34/89/97/173348997.db2.gz GNGNZMZGSBMMSE-UHFFFAOYSA-N 2 1 226.295 1.533 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000040591956 173367944 /nfs/dbraw/zinc/36/79/44/173367944.db2.gz AJSAWGDRFWKEMU-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000040591956 173367945 /nfs/dbraw/zinc/36/79/45/173367945.db2.gz AJSAWGDRFWKEMU-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359224018 173368310 /nfs/dbraw/zinc/36/83/10/173368310.db2.gz SOFIINONFGLXLC-AWEZNQCLSA-N 2 1 239.407 1.308 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000053033140 173370659 /nfs/dbraw/zinc/37/06/59/173370659.db2.gz JZDLYSKDBHDECT-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccccc2C)C1 ZINC000071147367 173381482 /nfs/dbraw/zinc/38/14/82/173381482.db2.gz HQDKMBJGBDELTD-CQSZACIVSA-N 2 1 248.370 1.915 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2scnc2C)C1 ZINC000070800126 173382323 /nfs/dbraw/zinc/38/23/23/173382323.db2.gz FZBJZYLPJULFIO-LLVKDONJSA-N 2 1 239.388 1.535 20 0 BDADMP COC1CCC([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000135297289 174021892 /nfs/dbraw/zinc/02/18/92/174021892.db2.gz VFHNWDFJTIWASO-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000336719737 174073973 /nfs/dbraw/zinc/07/39/73/174073973.db2.gz RTSBSDZZCCGTIG-JHJVBQTASA-N 2 1 242.407 1.977 20 0 BDADMP COCCCCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000359036164 174178693 /nfs/dbraw/zinc/17/86/93/174178693.db2.gz CCAQKMVTGLXEDG-STQMWFEESA-N 2 1 244.379 1.241 20 0 BDADMP COCCCCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000359036164 174178696 /nfs/dbraw/zinc/17/86/96/174178696.db2.gz CCAQKMVTGLXEDG-STQMWFEESA-N 2 1 244.379 1.241 20 0 BDADMP COCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567045 174179790 /nfs/dbraw/zinc/17/97/90/174179790.db2.gz CFOIPCVBCHVDLM-ZDUSSCGKSA-N 2 1 226.364 1.489 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336772055 174264109 /nfs/dbraw/zinc/26/41/09/174264109.db2.gz VBRBIDSSSSWJTI-YNEHKIRRSA-N 2 1 228.380 1.874 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336772055 174264111 /nfs/dbraw/zinc/26/41/11/174264111.db2.gz VBRBIDSSSSWJTI-YNEHKIRRSA-N 2 1 228.380 1.874 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336778277 174275724 /nfs/dbraw/zinc/27/57/24/174275724.db2.gz KXPJTFWTUYGRGX-JHJVBQTASA-N 2 1 228.380 1.589 20 0 BDADMP COCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363257439 174318819 /nfs/dbraw/zinc/31/88/19/174318819.db2.gz XPIRAWZYDMBUGW-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363257439 174318823 /nfs/dbraw/zinc/31/88/23/174318823.db2.gz XPIRAWZYDMBUGW-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP COCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363257439 174318825 /nfs/dbraw/zinc/31/88/25/174318825.db2.gz XPIRAWZYDMBUGW-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891373 175091114 /nfs/dbraw/zinc/09/11/14/175091114.db2.gz UJKZQQAKTDPEPC-ZDUSSCGKSA-N 2 1 234.343 1.518 20 0 BDADMP COc1ccc2c(c1)CC[N@@H+](CCC[NH3+])C2 ZINC000082790921 175208429 /nfs/dbraw/zinc/20/84/29/175208429.db2.gz ZUHKUNNRVPUUKX-UHFFFAOYSA-N 2 1 220.316 1.402 20 0 BDADMP COc1ccc2c(c1)CC[N@H+](CCC[NH3+])C2 ZINC000082790921 175208431 /nfs/dbraw/zinc/20/84/31/175208431.db2.gz ZUHKUNNRVPUUKX-UHFFFAOYSA-N 2 1 220.316 1.402 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000094087449 175332463 /nfs/dbraw/zinc/33/24/63/175332463.db2.gz WOPNCVYECZVOPC-YPMHNXCESA-N 2 1 234.343 1.578 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256848 176028062 /nfs/dbraw/zinc/02/80/62/176028062.db2.gz VBWYLAFWDFPCCZ-RYUDHWBXSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000309786563 176144704 /nfs/dbraw/zinc/14/47/04/176144704.db2.gz OFOFRRBAKJGJPX-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000309786563 176144705 /nfs/dbraw/zinc/14/47/05/176144705.db2.gz OFOFRRBAKJGJPX-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC000361756815 176233354 /nfs/dbraw/zinc/23/33/54/176233354.db2.gz OVPLWDSXVZKTEO-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC000361756815 176233356 /nfs/dbraw/zinc/23/33/56/176233356.db2.gz OVPLWDSXVZKTEO-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCCOC1 ZINC000336688419 176268692 /nfs/dbraw/zinc/26/86/92/176268692.db2.gz HFKHBHSQBXIUCL-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCCOC1 ZINC000336688419 176268697 /nfs/dbraw/zinc/26/86/97/176268697.db2.gz HFKHBHSQBXIUCL-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@H]1CCCOC1 ZINC000336688419 176268699 /nfs/dbraw/zinc/26/86/99/176268699.db2.gz HFKHBHSQBXIUCL-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@H]1CCCOC1 ZINC000336688419 176268701 /nfs/dbraw/zinc/26/87/01/176268701.db2.gz HFKHBHSQBXIUCL-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000340521002 176269526 /nfs/dbraw/zinc/26/95/26/176269526.db2.gz ARVHBDMTCHVDJX-NOOOWODRSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000340521002 176269527 /nfs/dbraw/zinc/26/95/27/176269527.db2.gz ARVHBDMTCHVDJX-NOOOWODRSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000336735650 176276529 /nfs/dbraw/zinc/27/65/29/176276529.db2.gz IHSDQXKKDGIGDW-NQBHXWOUSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000336735650 176276531 /nfs/dbraw/zinc/27/65/31/176276531.db2.gz IHSDQXKKDGIGDW-NQBHXWOUSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](CN[C@@H]1C[NH+](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000336735650 176276532 /nfs/dbraw/zinc/27/65/32/176276532.db2.gz IHSDQXKKDGIGDW-NQBHXWOUSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](CN[C@@H]1C[NH+](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000336735650 176276534 /nfs/dbraw/zinc/27/65/34/176276534.db2.gz IHSDQXKKDGIGDW-NQBHXWOUSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000042815565 176278342 /nfs/dbraw/zinc/27/83/42/176278342.db2.gz LKQWPZJICNIJLN-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000305159222 176279053 /nfs/dbraw/zinc/27/90/53/176279053.db2.gz WOIXXHIVVGLFBR-FDYHWXHSSA-N 2 1 242.407 1.712 20 0 BDADMP C[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1[NH3+] ZINC000235324864 176294416 /nfs/dbraw/zinc/29/44/16/176294416.db2.gz HVXGSRUBYZUWET-YPMHNXCESA-N 2 1 204.317 1.508 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1[NH3+] ZINC000235324864 176294418 /nfs/dbraw/zinc/29/44/18/176294418.db2.gz HVXGSRUBYZUWET-YPMHNXCESA-N 2 1 204.317 1.508 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000251553478 176307480 /nfs/dbraw/zinc/30/74/80/176307480.db2.gz BITNBYGBEBTVFI-ZYHUDNBSSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1[NH3+] ZINC000251553478 176307481 /nfs/dbraw/zinc/30/74/81/176307481.db2.gz BITNBYGBEBTVFI-ZYHUDNBSSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000305856533 176340709 /nfs/dbraw/zinc/34/07/09/176340709.db2.gz MUNBLICMPSBPOV-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353631487 176342285 /nfs/dbraw/zinc/34/22/85/176342285.db2.gz QPKWMJXQFKMUKU-VWYCJHECSA-N 2 1 235.331 1.282 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000308893946 176354264 /nfs/dbraw/zinc/35/42/64/176354264.db2.gz YVFMMVATOSYHAI-RHYQMDGZSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000308893946 176354265 /nfs/dbraw/zinc/35/42/65/176354265.db2.gz YVFMMVATOSYHAI-RHYQMDGZSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000304401726 176354768 /nfs/dbraw/zinc/35/47/68/176354768.db2.gz HHPJEXLSPGGREA-ZWNOBZJWSA-N 2 1 240.416 1.954 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359220990 176367367 /nfs/dbraw/zinc/36/73/67/176367367.db2.gz OEVUBBWCCYRVKM-YPMHNXCESA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1NCC2 ZINC000336225312 176367809 /nfs/dbraw/zinc/36/78/09/176367809.db2.gz ICOAEKLRCQPGON-NEPJUHHUSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccccc1 ZINC000122372021 176367981 /nfs/dbraw/zinc/36/79/81/176367981.db2.gz RVXGLJDHMBPUSE-OCCSQVGLSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1C[C@@H](N(C)CCn2cccn2)CC[N@@H+]1C ZINC000123781300 176371132 /nfs/dbraw/zinc/37/11/32/176371132.db2.gz HBFRMQDVQNUJKW-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H](N(C)CCn2cccn2)CC[N@H+]1C ZINC000123781300 176371134 /nfs/dbraw/zinc/37/11/34/176371134.db2.gz HBFRMQDVQNUJKW-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCn2cccn2)CC[N@@H+]1C ZINC000123781300 176371136 /nfs/dbraw/zinc/37/11/36/176371136.db2.gz HBFRMQDVQNUJKW-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCn2cccn2)CC[N@H+]1C ZINC000123781300 176371138 /nfs/dbraw/zinc/37/11/38/176371138.db2.gz HBFRMQDVQNUJKW-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCn2cccn2)CC[NH+]1C ZINC000123781300 176371139 /nfs/dbraw/zinc/37/11/39/176371139.db2.gz HBFRMQDVQNUJKW-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCn2cccn2)CC[NH+]1C ZINC000123781300 176371140 /nfs/dbraw/zinc/37/11/40/176371140.db2.gz HBFRMQDVQNUJKW-OLZOCXBDSA-N 2 1 236.363 1.298 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2nccs2)CC[N@H+]1C ZINC000127840531 176376197 /nfs/dbraw/zinc/37/61/97/176376197.db2.gz IPLFDPLRWVTZTH-MNOVXSKESA-N 2 1 239.388 1.758 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309833002 176397185 /nfs/dbraw/zinc/39/71/85/176397185.db2.gz ZCVQLBMGYGRBIP-NXEZZACHSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000037266963 176830775 /nfs/dbraw/zinc/83/07/75/176830775.db2.gz VRFDNWWGZYFVEH-LBPRGKRZSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256731 177043777 /nfs/dbraw/zinc/04/37/77/177043777.db2.gz CCRHYKVWDFJYEC-MNOVXSKESA-N 2 1 205.305 1.423 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527597 177046413 /nfs/dbraw/zinc/04/64/13/177046413.db2.gz ZCJWRLPSNNPVIB-VXGBXAGGSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH3+] ZINC000237496662 177075295 /nfs/dbraw/zinc/07/52/95/177075295.db2.gz XPQFUZMOIZDJDC-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1CN ZINC000359209661 177098269 /nfs/dbraw/zinc/09/82/69/177098269.db2.gz DFIYGYWQIBNRAC-GXTWGEPZSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CCCN(CCC2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000359209661 177098273 /nfs/dbraw/zinc/09/82/73/177098273.db2.gz DFIYGYWQIBNRAC-GXTWGEPZSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000310334029 177099894 /nfs/dbraw/zinc/09/98/94/177099894.db2.gz KVIKTHGXIAHKER-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000310334029 177099889 /nfs/dbraw/zinc/09/98/89/177099889.db2.gz KVIKTHGXIAHKER-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000310334029 177099891 /nfs/dbraw/zinc/09/98/91/177099891.db2.gz KVIKTHGXIAHKER-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000310334029 177099895 /nfs/dbraw/zinc/09/98/95/177099895.db2.gz KVIKTHGXIAHKER-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1ccccn1 ZINC000358310761 177233735 /nfs/dbraw/zinc/23/37/35/177233735.db2.gz WXRHNZLLGZYCOD-DZGCQCFKSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336722164 177239200 /nfs/dbraw/zinc/23/92/00/177239200.db2.gz STRKIVJOUIRNCD-XJFOESAGSA-N 2 1 241.423 1.502 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336722164 177239201 /nfs/dbraw/zinc/23/92/01/177239201.db2.gz STRKIVJOUIRNCD-XJFOESAGSA-N 3 1 241.423 1.502 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000336722164 177239202 /nfs/dbraw/zinc/23/92/02/177239202.db2.gz STRKIVJOUIRNCD-XJFOESAGSA-N 3 1 241.423 1.502 20 0 BDADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000133255551 177254756 /nfs/dbraw/zinc/25/47/56/177254756.db2.gz PRXNNBAHHAVDAE-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1[NH3+] ZINC000049712680 177267746 /nfs/dbraw/zinc/26/77/46/177267746.db2.gz KKIYSSXHIBHNQU-ONGXEEELSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356257 177331332 /nfs/dbraw/zinc/33/13/32/177331332.db2.gz DZTXOPYLKIFFRG-AAEUAGOBSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2cn[nH]c2)CC[N@H+]1C ZINC000289740571 177332282 /nfs/dbraw/zinc/33/22/82/177332282.db2.gz KOXMEOLSQLDEGO-JQWIXIFHSA-N 2 1 222.336 1.025 20 0 BDADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCOCC[NH3+] ZINC000357077011 177339631 /nfs/dbraw/zinc/33/96/31/177339631.db2.gz IZONBHGLFBAUFS-DZGCQCFKSA-N 2 1 248.370 1.840 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cscn2)CC[NH2+]1 ZINC000235660313 177361148 /nfs/dbraw/zinc/36/11/48/177361148.db2.gz DKNZABGOQMHYJH-WDEREUQCSA-N 2 1 239.388 1.963 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cnn(C)c2)CC[NH2+]1 ZINC000235660188 177361399 /nfs/dbraw/zinc/36/13/99/177361399.db2.gz XMTQVRCUQVIQIJ-NWDGAFQWSA-N 2 1 236.363 1.240 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000235662306 177362451 /nfs/dbraw/zinc/36/24/51/177362451.db2.gz ANNDEBCMAWPCFP-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccn(C)c2)CCN1C ZINC000093644198 177365248 /nfs/dbraw/zinc/36/52/48/177365248.db2.gz CRKBSLYNJBDLCU-GXTWGEPZSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)Cc2ccn(C)c2)CC[N@@H+]1C ZINC000093644198 177365255 /nfs/dbraw/zinc/36/52/55/177365255.db2.gz CRKBSLYNJBDLCU-GXTWGEPZSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)Cc2ccn(C)c2)CC[N@H+]1C ZINC000093644198 177365257 /nfs/dbraw/zinc/36/52/57/177365257.db2.gz CRKBSLYNJBDLCU-GXTWGEPZSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccn(C)c2)CC[NH+]1C ZINC000093644198 177365259 /nfs/dbraw/zinc/36/52/59/177365259.db2.gz CRKBSLYNJBDLCU-GXTWGEPZSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccn(C)c2)CC[NH+]1C ZINC000093644198 177365261 /nfs/dbraw/zinc/36/52/61/177365261.db2.gz CRKBSLYNJBDLCU-GXTWGEPZSA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCOC1 ZINC000471756823 225077659 /nfs/dbraw/zinc/07/76/59/225077659.db2.gz HSNRRQWTJQRHQF-NWDGAFQWSA-N 2 1 237.347 1.367 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000401641079 225203686 /nfs/dbraw/zinc/20/36/86/225203686.db2.gz HTURJYOATGBMDW-UPJWGTAASA-N 2 1 249.358 1.366 20 0 BDADMP C[N@@H+]1CCC[C@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226017483 487643965 /nfs/dbraw/zinc/64/39/65/487643965.db2.gz XTCSEBDHTWAFJC-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000226017483 487643970 /nfs/dbraw/zinc/64/39/70/487643970.db2.gz XTCSEBDHTWAFJC-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000168662275 487647612 /nfs/dbraw/zinc/64/76/12/487647612.db2.gz WABWOSKMIVKIBV-NSHDSACASA-N 2 1 236.363 1.072 20 0 BDADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400396361 226342614 /nfs/dbraw/zinc/34/26/14/226342614.db2.gz JLSOLFZDXKOLLH-DLOVCJGASA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400737835 226350686 /nfs/dbraw/zinc/35/06/86/226350686.db2.gz SBCMXWLZTMSTBV-WUHRBBMRSA-N 2 1 225.380 1.199 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029902 487653803 /nfs/dbraw/zinc/65/38/03/487653803.db2.gz YPIQQQOWGFMRJP-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP CCOCC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029175 487654364 /nfs/dbraw/zinc/65/43/64/487654364.db2.gz YRYLSENWZNCVFI-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP Cn1c[nH+]cc1CCCN1CC[NH2+]CC1(C)C ZINC000314868067 487669007 /nfs/dbraw/zinc/66/90/07/487669007.db2.gz KAOURVDFNPCOQA-UHFFFAOYSA-N 2 1 236.363 1.037 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000383730591 487669082 /nfs/dbraw/zinc/66/90/82/487669082.db2.gz GXJQXRSTCRLFRZ-KBPBESRZSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000383730591 487669084 /nfs/dbraw/zinc/66/90/84/487669084.db2.gz GXJQXRSTCRLFRZ-KBPBESRZSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383730591 487669085 /nfs/dbraw/zinc/66/90/85/487669085.db2.gz GXJQXRSTCRLFRZ-KBPBESRZSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1cncn1C ZINC000314899754 487670347 /nfs/dbraw/zinc/67/03/47/487670347.db2.gz NFIBPAIYIDAVCX-NWDGAFQWSA-N 2 1 236.363 1.164 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000166408219 229172865 /nfs/dbraw/zinc/17/28/65/229172865.db2.gz PVBWHNOASZPOFQ-MBNYWOFBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000166408219 229172868 /nfs/dbraw/zinc/17/28/68/229172868.db2.gz PVBWHNOASZPOFQ-MBNYWOFBSA-N 2 1 240.391 1.874 20 0 BDADMP O[C@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328458475 487689749 /nfs/dbraw/zinc/68/97/49/487689749.db2.gz GGEZITMHNUVNJQ-MQYQWHSLSA-N 2 1 238.375 1.364 20 0 BDADMP O[C@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328458475 487689754 /nfs/dbraw/zinc/68/97/54/487689754.db2.gz GGEZITMHNUVNJQ-MQYQWHSLSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000395246734 262785130 /nfs/dbraw/zinc/78/51/30/262785130.db2.gz SEXVEXYFGKATSX-YFKTTZPYSA-N 2 1 226.364 1.266 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCCCO ZINC000398629631 487722609 /nfs/dbraw/zinc/72/26/09/487722609.db2.gz QPBILJZDPXFUHL-RYUDHWBXSA-N 2 1 216.369 1.501 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCCCO ZINC000398629629 487722615 /nfs/dbraw/zinc/72/26/15/487722615.db2.gz QPBILJZDPXFUHL-NEPJUHHUSA-N 2 1 216.369 1.501 20 0 BDADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250448887 487732856 /nfs/dbraw/zinc/73/28/56/487732856.db2.gz VDXNTTATJSUJCG-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)CCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250608619 487735261 /nfs/dbraw/zinc/73/52/61/487735261.db2.gz YBOZNZJMGUKOFS-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)CCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250608619 487735266 /nfs/dbraw/zinc/73/52/66/487735266.db2.gz YBOZNZJMGUKOFS-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000233784300 487743446 /nfs/dbraw/zinc/74/34/46/487743446.db2.gz OVGQLVPDYDSWTL-MXWKQRLJSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H]1[N@@H+](CCC[NH3+])CCC12CCOCC2 ZINC000334837161 487775629 /nfs/dbraw/zinc/77/56/29/487775629.db2.gz JWFNMOXYDFEVIL-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H]1C[N@@H+](CCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000309863599 487775931 /nfs/dbraw/zinc/77/59/31/487775931.db2.gz DVSONRLBXFMHHN-DZGCQCFKSA-N 2 1 248.370 1.872 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385248679 487777403 /nfs/dbraw/zinc/77/74/03/487777403.db2.gz PNSYERJSTLSKIU-JSGCOSHPSA-N 2 1 248.374 1.464 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385248679 487777408 /nfs/dbraw/zinc/77/74/08/487777408.db2.gz PNSYERJSTLSKIU-JSGCOSHPSA-N 2 1 248.374 1.464 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1(C)C ZINC000300625781 487787559 /nfs/dbraw/zinc/78/75/59/487787559.db2.gz FQTGZIPVFXACNX-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CO)[C@H]2CCC[C@@H]21 ZINC000671753812 487794932 /nfs/dbraw/zinc/79/49/32/487794932.db2.gz VEKTUSDZOFYMTJ-AGIUHOORSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000675983298 487797934 /nfs/dbraw/zinc/79/79/34/487797934.db2.gz PBERLFULPMERJY-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000675983298 487797941 /nfs/dbraw/zinc/79/79/41/487797941.db2.gz PBERLFULPMERJY-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000675983298 487797944 /nfs/dbraw/zinc/79/79/44/487797944.db2.gz PBERLFULPMERJY-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000251879939 487804739 /nfs/dbraw/zinc/80/47/39/487804739.db2.gz VDFJSUUYPJRFCB-IJLUTSLNSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000414699054 487817373 /nfs/dbraw/zinc/81/73/73/487817373.db2.gz DVXGFSYAHJHBHJ-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP Cc1cnc(C(C)(C)[NH2+]CCC[NH3+])s1 ZINC000414695377 487817906 /nfs/dbraw/zinc/81/79/06/487817906.db2.gz AKQADBCZXFCISA-UHFFFAOYSA-N 2 1 213.350 1.625 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000414699057 487817576 /nfs/dbraw/zinc/81/75/76/487817576.db2.gz DVXGFSYAHJHBHJ-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCC[NH3+] ZINC000414702206 487818595 /nfs/dbraw/zinc/81/85/95/487818595.db2.gz HTRCEOKNODABCM-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000414754085 487821168 /nfs/dbraw/zinc/82/11/68/487821168.db2.gz FQULRPDDKMETCV-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)(C)[C@@H]1C[N@H+](CCC[NH3+])CCO1 ZINC000414762391 487823068 /nfs/dbraw/zinc/82/30/68/487823068.db2.gz LAHUSHZMYMLQMS-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)(C)[C@@H]1C[N@@H+](CCC[NH3+])CCO1 ZINC000414762391 487823073 /nfs/dbraw/zinc/82/30/73/487823073.db2.gz LAHUSHZMYMLQMS-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP Cc1[nH]c2nc[nH+]c(N(C)C3CC([NH3+])C3)c2c1C ZINC000647708232 487829436 /nfs/dbraw/zinc/82/94/36/487829436.db2.gz FJNMHCNGVRWOHA-UHFFFAOYSA-N 2 1 245.330 1.501 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCSCC)C[C@H]1C[NH3+] ZINC000405840991 487832497 /nfs/dbraw/zinc/83/24/97/487832497.db2.gz FNENAGDHDBVSJT-GHMZBOCLSA-N 2 1 232.393 1.035 20 0 BDADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@](C)([NH3+])CCC)C1 ZINC000389737948 487834047 /nfs/dbraw/zinc/83/40/47/487834047.db2.gz LFSZXPAVXYCAOZ-YPMHNXCESA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH3+])C(=O)N1c1ccccc1 ZINC000415120980 487838233 /nfs/dbraw/zinc/83/82/33/487838233.db2.gz YLQYNJWQMSVVSP-DGCLKSJQSA-N 2 1 247.342 1.119 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccnn2CC)CC[C@H]1[NH3+] ZINC000252981161 487841831 /nfs/dbraw/zinc/84/18/31/487841831.db2.gz PXUQDPHHRRMGBZ-DGCLKSJQSA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccnn2CC)CC[C@H]1[NH3+] ZINC000252981161 487841838 /nfs/dbraw/zinc/84/18/38/487841838.db2.gz PXUQDPHHRRMGBZ-DGCLKSJQSA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000224620609 487848679 /nfs/dbraw/zinc/84/86/79/487848679.db2.gz INXFWLATGFKOAH-TUAOUCFPSA-N 2 1 228.405 1.799 20 0 BDADMP CSCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000373143778 487862005 /nfs/dbraw/zinc/86/20/05/487862005.db2.gz XVQOKZWYHHDGDV-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000373143778 487862012 /nfs/dbraw/zinc/86/20/12/487862012.db2.gz XVQOKZWYHHDGDV-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000373143778 487862013 /nfs/dbraw/zinc/86/20/13/487862013.db2.gz XVQOKZWYHHDGDV-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP CSCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000373143778 487862018 /nfs/dbraw/zinc/86/20/18/487862018.db2.gz XVQOKZWYHHDGDV-NEPJUHHUSA-N 2 1 228.405 1.766 20 0 BDADMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCCOC1 ZINC000681928663 487870310 /nfs/dbraw/zinc/87/03/10/487870310.db2.gz RGXCMOOPCHTDNT-STQMWFEESA-N 2 1 249.358 1.556 20 0 BDADMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCCOC1 ZINC000681928663 487870315 /nfs/dbraw/zinc/87/03/15/487870315.db2.gz RGXCMOOPCHTDNT-STQMWFEESA-N 2 1 249.358 1.556 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000323803436 487874173 /nfs/dbraw/zinc/87/41/73/487874173.db2.gz HCWJLQHBQSMWHG-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)CCO1 ZINC000666770218 487877523 /nfs/dbraw/zinc/87/75/23/487877523.db2.gz PKDDYKOAJYXNEK-MJBXVCDLSA-N 2 1 240.391 1.922 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000053199443 487883997 /nfs/dbraw/zinc/88/39/97/487883997.db2.gz ZXOFPQQLHQYSMJ-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000309500392 487887710 /nfs/dbraw/zinc/88/77/10/487887710.db2.gz LKDRRDXDSHFSFM-NWDGAFQWSA-N 2 1 208.349 1.860 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000309500392 487887721 /nfs/dbraw/zinc/88/77/21/487887721.db2.gz LKDRRDXDSHFSFM-NWDGAFQWSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403813908 487890353 /nfs/dbraw/zinc/89/03/53/487890353.db2.gz LKFKCGZCJZYCQD-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858064 487891595 /nfs/dbraw/zinc/89/15/95/487891595.db2.gz VUAIJBGZGNIIBI-GFCCVEGCSA-N 2 1 236.363 1.696 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403809732 487891728 /nfs/dbraw/zinc/89/17/28/487891728.db2.gz KJHULAXKYXSEMQ-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc2ccccn12 ZINC000666879645 487895347 /nfs/dbraw/zinc/89/53/47/487895347.db2.gz QXEDDRHJMAGDHR-YPMHNXCESA-N 2 1 244.342 1.422 20 0 BDADMP c1ccc(C2CC2)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000666939736 487908878 /nfs/dbraw/zinc/90/88/78/487908878.db2.gz HSVANKIKJMLWNX-FICVDOATSA-N 2 1 228.339 1.871 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH3+])CC(C)(C)c1ccccc1 ZINC000666988636 487922048 /nfs/dbraw/zinc/92/20/48/487922048.db2.gz GGLHBYUWHNOXSA-ZDUSSCGKSA-N 2 1 236.359 1.216 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])CC(C)(C)c1ccccc1 ZINC000666988636 487922055 /nfs/dbraw/zinc/92/20/55/487922055.db2.gz GGLHBYUWHNOXSA-ZDUSSCGKSA-N 2 1 236.359 1.216 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000157892514 487928949 /nfs/dbraw/zinc/92/89/49/487928949.db2.gz NZOPAGFMRSGAQK-OLZOCXBDSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000157892514 487928953 /nfs/dbraw/zinc/92/89/53/487928953.db2.gz NZOPAGFMRSGAQK-OLZOCXBDSA-N 2 1 219.332 1.641 20 0 BDADMP Cc1cc(CNC[C@@H]2C[NH2+]CCO2)c(C)s1 ZINC000667036165 487933720 /nfs/dbraw/zinc/93/37/20/487933720.db2.gz JUJOZJXLRHHBID-LBPRGKRZSA-N 2 1 240.372 1.443 20 0 BDADMP c1cnn(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000049326182 487946920 /nfs/dbraw/zinc/94/69/20/487946920.db2.gz HQBDXROEGDIWGG-KGLIPLIRSA-N 2 1 248.374 1.347 20 0 BDADMP Cc1cccnc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569452106 322966512 /nfs/dbraw/zinc/96/65/12/322966512.db2.gz ODEHAEILEZLPNL-QWHCGFSZSA-N 2 1 233.359 1.868 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@H](C)COC ZINC000562744808 323029869 /nfs/dbraw/zinc/02/98/69/323029869.db2.gz XJOIVBXDSWNWAD-QWRGUYRKSA-N 2 1 202.342 1.376 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000562956454 323035095 /nfs/dbraw/zinc/03/50/95/323035095.db2.gz WAIIYYDCWCGSOO-SNVBAGLBSA-N 2 1 236.363 1.744 20 0 BDADMP Cc1cc(C)n2c(C[N@H+](C)CCC[NH3+])cnc2n1 ZINC000569845606 323042475 /nfs/dbraw/zinc/04/24/75/323042475.db2.gz JZLSGIRTZOKGOR-UHFFFAOYSA-N 2 1 247.346 1.127 20 0 BDADMP Cc1cc(C)n2c(C[N@@H+](C)CCC[NH3+])cnc2n1 ZINC000569845606 323042476 /nfs/dbraw/zinc/04/24/76/323042476.db2.gz JZLSGIRTZOKGOR-UHFFFAOYSA-N 2 1 247.346 1.127 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000570200217 323052747 /nfs/dbraw/zinc/05/27/47/323052747.db2.gz SUJZXQUNKCADFS-LLVKDONJSA-N 2 1 224.352 1.553 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000570444956 323059554 /nfs/dbraw/zinc/05/95/54/323059554.db2.gz PYAMAIUSWRQZCG-UBHSHLNASA-N 2 1 240.391 1.323 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000570444956 323059555 /nfs/dbraw/zinc/05/95/55/323059555.db2.gz PYAMAIUSWRQZCG-UBHSHLNASA-N 2 1 240.391 1.323 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000570802246 323070808 /nfs/dbraw/zinc/07/08/08/323070808.db2.gz BKVQMOAXQBZUOM-HUUCEWRRSA-N 3 1 247.386 1.895 20 0 BDADMP CC(C)COCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397301887 323090297 /nfs/dbraw/zinc/09/02/97/323090297.db2.gz KRWQRTRINBFFTJ-RDBSUJKOSA-N 2 1 242.407 1.964 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000563135451 323094612 /nfs/dbraw/zinc/09/46/12/323094612.db2.gz MNZCUBZRXPUVHC-GFCCVEGCSA-N 2 1 205.305 1.220 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000563154089 323095778 /nfs/dbraw/zinc/09/57/78/323095778.db2.gz FVBLLNLFYITXJJ-ZYHUDNBSSA-N 2 1 234.347 1.053 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000531716362 323112132 /nfs/dbraw/zinc/11/21/32/323112132.db2.gz SYHQXURCNQCQTE-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP Cn1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)n1 ZINC000563510001 323128327 /nfs/dbraw/zinc/12/83/27/323128327.db2.gz GKBRIHNDUPORBG-UHFFFAOYSA-N 2 1 236.363 1.384 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000247088524 323131913 /nfs/dbraw/zinc/13/19/13/323131913.db2.gz RKOFEVNHNWYZGE-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000247088524 323131914 /nfs/dbraw/zinc/13/19/14/323131914.db2.gz RKOFEVNHNWYZGE-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000571157211 323136974 /nfs/dbraw/zinc/13/69/74/323136974.db2.gz RZUMCJRALUQBNR-JHJVBQTASA-N 3 1 225.380 1.236 20 0 BDADMP CC[NH2+]CC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414658826 323151072 /nfs/dbraw/zinc/15/10/72/323151072.db2.gz KBADKYFLDBRZBC-AWEZNQCLSA-N 3 1 241.423 1.681 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[NH2+]1 ZINC000414668581 323151177 /nfs/dbraw/zinc/15/11/77/323151177.db2.gz JILMNXHNECIXPP-PEBLQZBPSA-N 3 1 237.391 1.044 20 0 BDADMP C[C@@H](Cc1ccsc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000049181696 323158587 /nfs/dbraw/zinc/15/85/87/323158587.db2.gz WVKNHRIIIOBUSN-JQWIXIFHSA-N 2 1 242.388 1.191 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000398566661 323186709 /nfs/dbraw/zinc/18/67/09/323186709.db2.gz DSOIASNLXATGBD-YIYPIFLZSA-N 2 1 242.407 1.856 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000530223341 323218381 /nfs/dbraw/zinc/21/83/81/323218381.db2.gz UEXKNXQGOJDPNF-VXGBXAGGSA-N 2 1 205.305 1.359 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000530223340 323218461 /nfs/dbraw/zinc/21/84/61/323218461.db2.gz UEXKNXQGOJDPNF-RYUDHWBXSA-N 2 1 205.305 1.359 20 0 BDADMP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1cnn(C)c1 ZINC000572111829 323540247 /nfs/dbraw/zinc/54/02/47/323540247.db2.gz XTKLHFMVNHJAAM-ZDUSSCGKSA-N 2 1 238.379 1.849 20 0 BDADMP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cs1 ZINC000400341350 324166809 /nfs/dbraw/zinc/16/68/09/324166809.db2.gz IULJVNLWJROIPV-SKDRFNHKSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@H]([NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000530224086 324543859 /nfs/dbraw/zinc/54/38/59/324543859.db2.gz KXXSHZQFDTYXCK-KISRQWFGSA-N 2 1 226.364 1.528 20 0 BDADMP CC[C@@H](C)[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000309448616 487967333 /nfs/dbraw/zinc/96/73/33/487967333.db2.gz PNZVWCJPLVHTMC-DGCLKSJQSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000309448616 487967338 /nfs/dbraw/zinc/96/73/38/487967338.db2.gz PNZVWCJPLVHTMC-DGCLKSJQSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309448616 487967341 /nfs/dbraw/zinc/96/73/41/487967341.db2.gz PNZVWCJPLVHTMC-DGCLKSJQSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309448616 487967346 /nfs/dbraw/zinc/96/73/46/487967346.db2.gz PNZVWCJPLVHTMC-DGCLKSJQSA-N 2 1 228.380 1.562 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133938238 325332642 /nfs/dbraw/zinc/33/26/42/325332642.db2.gz HPNZFZHZMCHCMC-HBNTYKKESA-N 2 1 216.394 1.810 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133938238 325332645 /nfs/dbraw/zinc/33/26/45/325332645.db2.gz HPNZFZHZMCHCMC-HBNTYKKESA-N 2 1 216.394 1.810 20 0 BDADMP Cc1cccc(CN[C@H](C)C[C@@H]2COCC[NH2+]2)n1 ZINC000133953185 325333475 /nfs/dbraw/zinc/33/34/75/325333475.db2.gz IYWDZQYISRYFAV-TZMCWYRMSA-N 2 1 249.358 1.247 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)co1 ZINC000310384099 487969421 /nfs/dbraw/zinc/96/94/21/487969421.db2.gz DDLKCJAMMOVGCI-DRZSPHRISA-N 2 1 235.331 1.542 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)co1 ZINC000310384099 487969424 /nfs/dbraw/zinc/96/94/24/487969424.db2.gz DDLKCJAMMOVGCI-DRZSPHRISA-N 2 1 235.331 1.542 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000565645372 325937838 /nfs/dbraw/zinc/93/78/38/325937838.db2.gz IJRWFIXJROVMRU-UWVGGRQHSA-N 2 1 202.342 1.232 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cccs1 ZINC000566351909 326036159 /nfs/dbraw/zinc/03/61/59/326036159.db2.gz KLWGLMDMVKFFOV-LLVKDONJSA-N 2 1 228.361 1.150 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cccs1 ZINC000566351909 326036162 /nfs/dbraw/zinc/03/61/62/326036162.db2.gz KLWGLMDMVKFFOV-LLVKDONJSA-N 2 1 228.361 1.150 20 0 BDADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cn[nH]c1 ZINC000566415958 326042757 /nfs/dbraw/zinc/04/27/57/326042757.db2.gz GWOGCZSTYMLRES-SNVBAGLBSA-N 2 1 233.319 1.427 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000566614491 326067759 /nfs/dbraw/zinc/06/77/59/326067759.db2.gz ZWXNCSPUOAGLLH-JTQLQIEISA-N 2 1 210.325 1.448 20 0 BDADMP CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566738679 326078533 /nfs/dbraw/zinc/07/85/33/326078533.db2.gz GZHQZYLKHGYFCZ-USZNOCQGSA-N 2 1 212.337 1.284 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566867058 326088893 /nfs/dbraw/zinc/08/88/93/326088893.db2.gz TXFWHGRQUKKMLS-ZOBORPQBSA-N 3 1 239.407 1.719 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(O)C1 ZINC000154412068 326143111 /nfs/dbraw/zinc/14/31/11/326143111.db2.gz GOHGRIBFTPUJTC-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](C)(O)C1 ZINC000154412068 326143112 /nfs/dbraw/zinc/14/31/12/326143112.db2.gz GOHGRIBFTPUJTC-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](C)(O)C1 ZINC000154412068 326143114 /nfs/dbraw/zinc/14/31/14/326143114.db2.gz GOHGRIBFTPUJTC-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000567639269 326236798 /nfs/dbraw/zinc/23/67/98/326236798.db2.gz CWJPRHIZPSVEQA-CHWSQXEVSA-N 3 1 227.396 1.352 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000157112901 326257277 /nfs/dbraw/zinc/25/72/77/326257277.db2.gz JWHMCUBBZNEYLN-AAEUAGOBSA-N 2 1 221.348 1.455 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCCO ZINC000314594999 326303671 /nfs/dbraw/zinc/30/36/71/326303671.db2.gz PEIIXKBUIUECPO-UHFFFAOYSA-N 2 1 225.336 1.057 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCCO ZINC000314594999 326303672 /nfs/dbraw/zinc/30/36/72/326303672.db2.gz PEIIXKBUIUECPO-UHFFFAOYSA-N 2 1 225.336 1.057 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H]1CCOC1 ZINC000568164167 326317306 /nfs/dbraw/zinc/31/73/06/326317306.db2.gz LHYHHWMXNWMOEN-GFCCVEGCSA-N 2 1 237.347 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H]1CCOC1 ZINC000568164167 326317308 /nfs/dbraw/zinc/31/73/08/326317308.db2.gz LHYHHWMXNWMOEN-GFCCVEGCSA-N 2 1 237.347 1.321 20 0 BDADMP C[NH2+]C1CC[NH+](CCCc2ccncc2)CC1 ZINC000569122188 326391827 /nfs/dbraw/zinc/39/18/27/326391827.db2.gz XLUPLSWUJWZJKE-UHFFFAOYSA-N 2 1 233.359 1.698 20 0 BDADMP C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211937780 487973160 /nfs/dbraw/zinc/97/31/60/487973160.db2.gz OFHRJYUEWIQJPL-GFCCVEGCSA-N 2 1 246.354 1.553 20 0 BDADMP C[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211937780 487973166 /nfs/dbraw/zinc/97/31/66/487973166.db2.gz OFHRJYUEWIQJPL-GFCCVEGCSA-N 2 1 246.354 1.553 20 0 BDADMP Cc1cc(N[C@H]2CC[NH2+][C@@H](C)C2)nc(C)[nH+]1 ZINC000235738460 488012076 /nfs/dbraw/zinc/01/20/76/488012076.db2.gz HTJMZZDVKOXORD-KWQFWETISA-N 2 1 220.320 1.646 20 0 BDADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)on1 ZINC000677475163 488045538 /nfs/dbraw/zinc/04/55/38/488045538.db2.gz XTBWVXOLMHXZLY-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)on1 ZINC000677475163 488045544 /nfs/dbraw/zinc/04/55/44/488045544.db2.gz XTBWVXOLMHXZLY-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)on1 ZINC000677475163 488045552 /nfs/dbraw/zinc/04/55/52/488045552.db2.gz XTBWVXOLMHXZLY-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)on1 ZINC000677475163 488045559 /nfs/dbraw/zinc/04/55/59/488045559.db2.gz XTBWVXOLMHXZLY-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667775318 488118076 /nfs/dbraw/zinc/11/80/76/488118076.db2.gz JATVTJIJTIFOJC-ZIAGYGMSSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000668698464 488130213 /nfs/dbraw/zinc/13/02/13/488130213.db2.gz CGMAMEOCQFQQSD-TUAOUCFPSA-N 2 1 224.348 1.116 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@@H](C)CO)CC1 ZINC000121132700 490077034 /nfs/dbraw/zinc/07/70/34/490077034.db2.gz PSHYNCPPDIXRHM-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)CO)CC1 ZINC000121132700 490077041 /nfs/dbraw/zinc/07/70/41/490077041.db2.gz PSHYNCPPDIXRHM-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)CO)CC1 ZINC000121132700 490077045 /nfs/dbraw/zinc/07/70/45/490077045.db2.gz PSHYNCPPDIXRHM-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOCc1ccccc1 ZINC000309747379 487540554 /nfs/dbraw/zinc/54/05/54/487540554.db2.gz UWJHTLMVDPEMDA-UKRRQHHQSA-N 2 1 248.370 1.872 20 0 BDADMP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086728665 487541108 /nfs/dbraw/zinc/54/11/08/487541108.db2.gz LCNPRQYQWJESRW-TZMCWYRMSA-N 2 1 218.344 1.878 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292309 487541580 /nfs/dbraw/zinc/54/15/80/487541580.db2.gz DHMQIFVNMNGZED-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000168873326 487549067 /nfs/dbraw/zinc/54/90/67/487549067.db2.gz HGCAKZNSQLMQQA-ZYHUDNBSSA-N 2 1 236.363 1.152 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000168873326 487549072 /nfs/dbraw/zinc/54/90/72/487549072.db2.gz HGCAKZNSQLMQQA-ZYHUDNBSSA-N 2 1 236.363 1.152 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)CO ZINC000677820646 488137628 /nfs/dbraw/zinc/13/76/28/488137628.db2.gz RONMMCHGOBQPMG-NSHDSACASA-N 2 1 225.336 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)CO ZINC000677820646 488137631 /nfs/dbraw/zinc/13/76/31/488137631.db2.gz RONMMCHGOBQPMG-NSHDSACASA-N 2 1 225.336 1.142 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H](C)COC ZINC000668747627 487473345 /nfs/dbraw/zinc/47/33/45/487473345.db2.gz JLAXUCMITPMBGW-LBPRGKRZSA-N 2 1 230.396 1.979 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H](C)COC ZINC000668747627 487473346 /nfs/dbraw/zinc/47/33/46/487473346.db2.gz JLAXUCMITPMBGW-LBPRGKRZSA-N 2 1 230.396 1.979 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)O1 ZINC000227063502 487491453 /nfs/dbraw/zinc/49/14/53/487491453.db2.gz PYZBKLVKWMLOHC-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C)C1 ZINC000381082178 487494439 /nfs/dbraw/zinc/49/44/39/487494439.db2.gz RRCKWKSEGOMDKE-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000381082178 487494440 /nfs/dbraw/zinc/49/44/40/487494440.db2.gz RRCKWKSEGOMDKE-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000381082178 487494441 /nfs/dbraw/zinc/49/44/41/487494441.db2.gz RRCKWKSEGOMDKE-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(C)(C)C2CC2)CCO1 ZINC000406078695 487499984 /nfs/dbraw/zinc/49/99/84/487499984.db2.gz WCEZRFIQTKBOFE-AAEUAGOBSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CCO1 ZINC000406078695 487499985 /nfs/dbraw/zinc/49/99/85/487499985.db2.gz WCEZRFIQTKBOFE-AAEUAGOBSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662266760 487503387 /nfs/dbraw/zinc/50/33/87/487503387.db2.gz OSVLQJAAJTWGKL-LPEHRKFASA-N 2 1 234.290 1.080 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662266755 487503491 /nfs/dbraw/zinc/50/34/91/487503491.db2.gz OSVLQJAAJTWGKL-GUBZILKMSA-N 2 1 234.290 1.080 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)CC[N@H+]1C ZINC000149295331 487514112 /nfs/dbraw/zinc/51/41/12/487514112.db2.gz XNDPVXOEVNKIOQ-SRVKXCTJSA-N 2 1 212.337 1.238 20 0 BDADMP C[N@@H+](CCc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000086440972 487509829 /nfs/dbraw/zinc/50/98/29/487509829.db2.gz VMBOFVQWSWNLMF-LLVKDONJSA-N 2 1 224.373 1.832 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)CC[N@H+]1C ZINC000149294898 487514706 /nfs/dbraw/zinc/51/47/06/487514706.db2.gz XNDPVXOEVNKIOQ-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000662274656 487523861 /nfs/dbraw/zinc/52/38/61/487523861.db2.gz ZGCYBKBQOMCOSJ-MNOVXSKESA-N 2 1 248.317 1.614 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000321909998 488160785 /nfs/dbraw/zinc/16/07/85/488160785.db2.gz PIEUEAFCFHKPSG-XQHKEYJVSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@H](CO)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228142 488134814 /nfs/dbraw/zinc/13/48/14/488134814.db2.gz VTQLBRKUVIUHSU-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP Cc1occc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000321475907 488140569 /nfs/dbraw/zinc/14/05/69/488140569.db2.gz DRPRRUVZNJEVBT-TXEJJXNPSA-N 2 1 206.289 1.239 20 0 BDADMP Cc1occc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000321475907 488140572 /nfs/dbraw/zinc/14/05/72/488140572.db2.gz DRPRRUVZNJEVBT-TXEJJXNPSA-N 2 1 206.289 1.239 20 0 BDADMP C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000259010683 488147172 /nfs/dbraw/zinc/14/71/72/488147172.db2.gz XPNVZRAOMWEXKQ-CYBMUJFWSA-N 2 1 236.334 1.910 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC2CCC2)CCO1 ZINC000398647284 488147572 /nfs/dbraw/zinc/14/75/72/488147572.db2.gz KFYZYSKWWJFBEQ-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC2CCC2)CCO1 ZINC000398647284 488147573 /nfs/dbraw/zinc/14/75/73/488147573.db2.gz KFYZYSKWWJFBEQ-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CC2)CC[N@H+]1C ZINC000397780381 488148762 /nfs/dbraw/zinc/14/87/62/488148762.db2.gz ORKLILSFYLHUBB-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CC[N@@H+]1C ZINC000397780381 488148764 /nfs/dbraw/zinc/14/87/64/488148764.db2.gz ORKLILSFYLHUBB-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CC[N@H+]1C ZINC000397780381 488148768 /nfs/dbraw/zinc/14/87/68/488148768.db2.gz ORKLILSFYLHUBB-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000230745763 488150790 /nfs/dbraw/zinc/15/07/90/488150790.db2.gz MFQBZAQSIBGTQS-OLZOCXBDSA-N 2 1 236.363 1.022 20 0 BDADMP FC1(F)CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000259583631 488180699 /nfs/dbraw/zinc/18/06/99/488180699.db2.gz UPAPGGXHUHYRIF-JTQLQIEISA-N 2 1 218.291 1.717 20 0 BDADMP FC1(F)CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000259583631 488180703 /nfs/dbraw/zinc/18/07/03/488180703.db2.gz UPAPGGXHUHYRIF-JTQLQIEISA-N 2 1 218.291 1.717 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678045195 488181389 /nfs/dbraw/zinc/18/13/89/488181389.db2.gz YPUQHCICHQSSRA-STQMWFEESA-N 2 1 228.380 1.279 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCOC1 ZINC000678073239 488191196 /nfs/dbraw/zinc/19/11/96/488191196.db2.gz OGYTXIUZDUWFEF-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COCC1([N@@H+](C)CC[C@H]2CCC[NH+]2C)CC1 ZINC000678084511 488193807 /nfs/dbraw/zinc/19/38/07/488193807.db2.gz XTAAGHMBWZJNPN-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP COCC1([NH+](C)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000678084511 488193808 /nfs/dbraw/zinc/19/38/08/488193808.db2.gz XTAAGHMBWZJNPN-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP COCC1([NH+](C)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000678084511 488193811 /nfs/dbraw/zinc/19/38/11/488193811.db2.gz XTAAGHMBWZJNPN-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@@H](C)C1 ZINC000669544121 488196911 /nfs/dbraw/zinc/19/69/11/488196911.db2.gz SSYHBVBOVDAHDY-AVGNSLFASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@]1(C)CCCO1 ZINC000683889697 488237454 /nfs/dbraw/zinc/23/74/54/488237454.db2.gz YOCWXSZATUCFCG-DGCLKSJQSA-N 2 1 237.347 1.510 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cn[nH]c2)C[C@H]1n1ccnc1 ZINC000678336759 488241599 /nfs/dbraw/zinc/24/15/99/488241599.db2.gz LKYTVCXUMXSIII-DGCLKSJQSA-N 2 1 245.330 1.689 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000679332365 488340982 /nfs/dbraw/zinc/34/09/82/488340982.db2.gz VDOLWHZWOYQZRR-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)s1 ZINC000307321009 490200755 /nfs/dbraw/zinc/20/07/55/490200755.db2.gz WFHRWWWSVGPHMT-UHFFFAOYSA-N 2 1 210.346 1.978 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2nc(C)ccc2O)CC[C@H]1[NH3+] ZINC000251666084 490258471 /nfs/dbraw/zinc/25/84/71/490258471.db2.gz HGQFXWREEWDAME-VXGBXAGGSA-N 2 1 249.358 1.655 20 0 BDADMP C([NH2+]C[C@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000228554421 490291221 /nfs/dbraw/zinc/29/12/21/490291221.db2.gz RUTHAICUCNWNGL-WDEREUQCSA-N 2 1 214.378 1.471 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086725360 490417203 /nfs/dbraw/zinc/41/72/03/490417203.db2.gz HMIOOJWQXLGTRB-WCQYABFASA-N 2 1 204.317 1.742 20 0 BDADMP Cn1cncc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717786 490521770 /nfs/dbraw/zinc/52/17/70/490521770.db2.gz MHTWGOGRHYTWRH-UHFFFAOYSA-N 2 1 248.305 1.308 20 0 BDADMP Cn1cncc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000401633306 490581730 /nfs/dbraw/zinc/58/17/30/490581730.db2.gz BEWQCXFPXYADHA-QWHCGFSZSA-N 2 1 248.374 1.179 20 0 BDADMP C[C@H]1SCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000220536257 490608529 /nfs/dbraw/zinc/60/85/29/490608529.db2.gz PGXFIZRRFVFRKY-KOLCDFICSA-N 2 1 214.378 1.564 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCn1nc(C)cc1C ZINC000395293862 491051672 /nfs/dbraw/zinc/05/16/72/491051672.db2.gz CPFCQZJHQGOPOY-UHFFFAOYSA-N 2 1 224.352 1.041 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCn1nc(C)cc1C ZINC000395293862 491051673 /nfs/dbraw/zinc/05/16/73/491051673.db2.gz CPFCQZJHQGOPOY-UHFFFAOYSA-N 2 1 224.352 1.041 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000400613433 491132912 /nfs/dbraw/zinc/13/29/12/491132912.db2.gz XFTBOVRZIUZWSU-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000310107543 491160419 /nfs/dbraw/zinc/16/04/19/491160419.db2.gz PTAFYSNPRIRYRH-DGCLKSJQSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000310107543 491160420 /nfs/dbraw/zinc/16/04/20/491160420.db2.gz PTAFYSNPRIRYRH-DGCLKSJQSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000310107543 491160421 /nfs/dbraw/zinc/16/04/21/491160421.db2.gz PTAFYSNPRIRYRH-DGCLKSJQSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000310107543 491160422 /nfs/dbraw/zinc/16/04/22/491160422.db2.gz PTAFYSNPRIRYRH-DGCLKSJQSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]([NH2+]CCC(C)(F)F)[C@H]1CCC[NH2+]1 ZINC000400755631 533840765 /nfs/dbraw/zinc/84/07/65/533840765.db2.gz WXGZIFXUWUKTMK-DTWKUNHWSA-N 2 1 206.280 1.762 20 0 BDADMP C[C@H]([NH2+]CCc1cccnc1)[C@H]1CCC[NH2+]1 ZINC000400391156 533874983 /nfs/dbraw/zinc/87/49/83/533874983.db2.gz NHXSRVPBVKJMPP-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223191897 535589888 /nfs/dbraw/zinc/58/98/88/535589888.db2.gz VOCCZUXRNFBRGP-MELADBBJSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400597663 534035069 /nfs/dbraw/zinc/03/50/69/534035069.db2.gz DBCDWXPLOVPMTO-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000423387297 517881824 /nfs/dbraw/zinc/88/18/24/517881824.db2.gz RWUYTAPPBYULPG-NTZNESFSSA-N 2 1 236.363 1.694 20 0 BDADMP C[C@H]1OCC[N@@H+](CC2CC[NH+](C)CC2)[C@H]1C ZINC000892048171 582773514 /nfs/dbraw/zinc/77/35/14/582773514.db2.gz IAZZORHYRIOUPK-NWDGAFQWSA-N 2 1 226.364 1.437 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803608 536463389 /nfs/dbraw/zinc/46/33/89/536463389.db2.gz HDHQBPMCOYMPGA-KGLIPLIRSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803608 536463393 /nfs/dbraw/zinc/46/33/93/536463393.db2.gz HDHQBPMCOYMPGA-KGLIPLIRSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803608 536463394 /nfs/dbraw/zinc/46/33/94/536463394.db2.gz HDHQBPMCOYMPGA-KGLIPLIRSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803608 536463396 /nfs/dbraw/zinc/46/33/96/536463396.db2.gz HDHQBPMCOYMPGA-KGLIPLIRSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@H]2C1 ZINC000261803608 536463399 /nfs/dbraw/zinc/46/33/99/536463399.db2.gz HDHQBPMCOYMPGA-KGLIPLIRSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(C[C@@]3(C)CC[NH2+]C3)[C@H]2C1 ZINC000262092262 536463734 /nfs/dbraw/zinc/46/37/34/536463734.db2.gz UXJHUWIMMREQEG-RDBSUJKOSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000348318511 536481897 /nfs/dbraw/zinc/48/18/97/536481897.db2.gz XWYBJCREZPIZOX-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000348318511 536481898 /nfs/dbraw/zinc/48/18/98/536481898.db2.gz XWYBJCREZPIZOX-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000336022146 536481990 /nfs/dbraw/zinc/48/19/90/536481990.db2.gz BPAXJBTVSAYDRD-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000336022146 536481992 /nfs/dbraw/zinc/48/19/92/536481992.db2.gz BPAXJBTVSAYDRD-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000348318515 536482018 /nfs/dbraw/zinc/48/20/18/536482018.db2.gz XWYBJCREZPIZOX-OBJOEFQTSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000348318515 536482019 /nfs/dbraw/zinc/48/20/19/536482019.db2.gz XWYBJCREZPIZOX-OBJOEFQTSA-N 2 1 240.391 1.467 20 0 BDADMP CCC[NH+](C)CCOCC[N@H+](C)CCC ZINC000178616027 527826484 /nfs/dbraw/zinc/82/64/84/527826484.db2.gz OOGGZEURTOFNJP-UHFFFAOYSA-N 2 1 216.369 1.687 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400509123 528879662 /nfs/dbraw/zinc/87/96/62/528879662.db2.gz KWWPRBPEZAJICH-SRVKXCTJSA-N 2 1 214.353 1.124 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000471760316 528965019 /nfs/dbraw/zinc/96/50/19/528965019.db2.gz QEZMAZHENFBZQS-QWHCGFSZSA-N 2 1 242.407 2.000 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400406320 528978977 /nfs/dbraw/zinc/97/89/77/528978977.db2.gz RNGRDWWFSVYHGL-GARJFASQSA-N 2 1 200.326 1.142 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251317836 535150448 /nfs/dbraw/zinc/15/04/48/535150448.db2.gz LNSQVRFMNHHJOJ-MELADBBJSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251317836 535150450 /nfs/dbraw/zinc/15/04/50/535150450.db2.gz LNSQVRFMNHHJOJ-MELADBBJSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000251317836 535150454 /nfs/dbraw/zinc/15/04/54/535150454.db2.gz LNSQVRFMNHHJOJ-MELADBBJSA-N 2 1 240.391 1.419 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000261540124 535527181 /nfs/dbraw/zinc/52/71/81/535527181.db2.gz DTOJTHXRXBZCFB-DGCLKSJQSA-N 2 1 243.395 1.350 20 0 BDADMP CCSCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252917323 535685938 /nfs/dbraw/zinc/68/59/38/535685938.db2.gz XCSLBUHCWHBTAI-NWDGAFQWSA-N 2 1 244.404 1.192 20 0 BDADMP CCSCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252917323 535685944 /nfs/dbraw/zinc/68/59/44/535685944.db2.gz XCSLBUHCWHBTAI-NWDGAFQWSA-N 2 1 244.404 1.192 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)OC)[C@@H](C)C1 ZINC000224571805 535768052 /nfs/dbraw/zinc/76/80/52/535768052.db2.gz GHASHWZEUONMTI-RYUDHWBXSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000218841568 535819221 /nfs/dbraw/zinc/81/92/21/535819221.db2.gz NKYKTQORFVYJLI-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261533655 535834499 /nfs/dbraw/zinc/83/44/99/535834499.db2.gz JJWPHLROIHTELN-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000253258841 535901658 /nfs/dbraw/zinc/90/16/58/535901658.db2.gz HFVOKPSGHCUQAR-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000253258841 535901663 /nfs/dbraw/zinc/90/16/63/535901663.db2.gz HFVOKPSGHCUQAR-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252733290 535966458 /nfs/dbraw/zinc/96/64/58/535966458.db2.gz YSKLKVARBULHFK-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP CCc1nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C)[nH+]1 ZINC000261579750 536125682 /nfs/dbraw/zinc/12/56/82/536125682.db2.gz PSKRJQZLANPHHO-RYUDHWBXSA-N 2 1 246.358 1.393 20 0 BDADMP CCc1nc(N2C[C@@H](C)[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000261589612 536126422 /nfs/dbraw/zinc/12/64/22/536126422.db2.gz TYNMCISZXIVLKF-PSASIEDQSA-N 2 1 220.320 1.131 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc(C[N@H+](C)C(C)C)n1 ZINC000261701723 536349018 /nfs/dbraw/zinc/34/90/18/536349018.db2.gz IBXRULGAVDTPJB-VIFPVBQESA-N 2 1 226.324 1.060 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc(C[N@@H+](C)C(C)C)n1 ZINC000261701723 536349021 /nfs/dbraw/zinc/34/90/21/536349021.db2.gz IBXRULGAVDTPJB-VIFPVBQESA-N 2 1 226.324 1.060 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](O)C1 ZINC000217611609 536353465 /nfs/dbraw/zinc/35/34/65/536353465.db2.gz XTWZNTCZGIEMQK-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](O)C1 ZINC000217611609 536353461 /nfs/dbraw/zinc/35/34/61/536353461.db2.gz XTWZNTCZGIEMQK-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000217611609 536353464 /nfs/dbraw/zinc/35/34/64/536353464.db2.gz XTWZNTCZGIEMQK-CHWSQXEVSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)CCOC)C1 ZINC000226711349 536365050 /nfs/dbraw/zinc/36/50/50/536365050.db2.gz PVZLYEMVZZXACM-WDEREUQCSA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)CCOC)C1 ZINC000226711349 536365052 /nfs/dbraw/zinc/36/50/52/536365052.db2.gz PVZLYEMVZZXACM-WDEREUQCSA-N 2 1 200.326 1.095 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCOC3)C2)C1 ZINC000335901308 536381856 /nfs/dbraw/zinc/38/18/56/536381856.db2.gz XEKNDRKJRCSNER-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000335901308 536381859 /nfs/dbraw/zinc/38/18/59/536381859.db2.gz XEKNDRKJRCSNER-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC000335901308 536381863 /nfs/dbraw/zinc/38/18/63/536381863.db2.gz XEKNDRKJRCSNER-ZIAGYGMSSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](O)C1(C)C ZINC000335722225 536390119 /nfs/dbraw/zinc/39/01/19/536390119.db2.gz WGEJNZYDGUINPI-RYUDHWBXSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](O)C1(C)C ZINC000335722225 536390121 /nfs/dbraw/zinc/39/01/21/536390121.db2.gz WGEJNZYDGUINPI-RYUDHWBXSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](O)C1(C)C ZINC000335722225 536390123 /nfs/dbraw/zinc/39/01/23/536390123.db2.gz WGEJNZYDGUINPI-RYUDHWBXSA-N 2 1 226.364 1.316 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000224520624 536826778 /nfs/dbraw/zinc/82/67/78/536826778.db2.gz VECCXYDCQDUMBV-RYUDHWBXSA-N 2 1 226.364 1.484 20 0 BDADMP COCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169230972 536894982 /nfs/dbraw/zinc/89/49/82/536894982.db2.gz KBXXEVBYBQHJKW-RYUDHWBXSA-N 2 1 206.289 1.367 20 0 BDADMP COCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000169231115 536895221 /nfs/dbraw/zinc/89/52/21/536895221.db2.gz KBXXEVBYBQHJKW-NEPJUHHUSA-N 2 1 206.289 1.367 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000853023510 588716712 /nfs/dbraw/zinc/71/67/12/588716712.db2.gz ZLVOGPLFGFRQJP-VHSXEESVSA-N 2 1 246.445 1.852 20 0 BDADMP Cc1cc(N)nc(NCC[NH+]2CCCCC2)[nH+]1 ZINC000891837987 582728039 /nfs/dbraw/zinc/72/80/39/582728039.db2.gz VCOUUDBKBHUMTG-UHFFFAOYSA-N 2 1 235.335 1.265 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC000892080323 582786581 /nfs/dbraw/zinc/78/65/81/582786581.db2.gz FHZBKDICHFKZNA-LBPRGKRZSA-N 2 1 249.358 1.138 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NCC1CCC1 ZINC000848987979 582818420 /nfs/dbraw/zinc/81/84/20/582818420.db2.gz UVKZABLCZQONMH-UHFFFAOYSA-N 2 1 240.395 1.631 20 0 BDADMP CC(C)CCNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004196 582821899 /nfs/dbraw/zinc/82/18/99/582821899.db2.gz GVDPWINLZOIHHJ-LBPRGKRZSA-N 2 1 240.395 1.488 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]cc1CO ZINC000892285103 582827337 /nfs/dbraw/zinc/82/73/37/582827337.db2.gz SBBWZQRBOKHFSL-NSHDSACASA-N 2 1 237.347 1.138 20 0 BDADMP CCCNC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849023688 582829745 /nfs/dbraw/zinc/82/97/45/582829745.db2.gz ADMYCLURRWQDTH-LLVKDONJSA-N 2 1 240.395 1.631 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892607166 582928481 /nfs/dbraw/zinc/92/84/81/582928481.db2.gz HVLLPXYJUDBOGG-WCFLWFBJSA-N 2 1 240.347 1.154 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892668841 582946744 /nfs/dbraw/zinc/94/67/44/582946744.db2.gz RIDFHIRHNXMKNE-DGCLKSJQSA-N 2 1 242.363 1.260 20 0 BDADMP CC(C)[C@H](O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000878163171 583364295 /nfs/dbraw/zinc/36/42/95/583364295.db2.gz OLIRJONFFCYOMI-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000878163171 583364298 /nfs/dbraw/zinc/36/42/98/583364298.db2.gz OLIRJONFFCYOMI-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000878163171 583364301 /nfs/dbraw/zinc/36/43/01/583364301.db2.gz OLIRJONFFCYOMI-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000878163171 583364303 /nfs/dbraw/zinc/36/43/03/583364303.db2.gz OLIRJONFFCYOMI-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000894253715 583393568 /nfs/dbraw/zinc/39/35/68/583393568.db2.gz GXWBVENTVDDQHU-GFCCVEGCSA-N 2 1 248.374 1.404 20 0 BDADMP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000894253715 583393569 /nfs/dbraw/zinc/39/35/69/583393569.db2.gz GXWBVENTVDDQHU-GFCCVEGCSA-N 2 1 248.374 1.404 20 0 BDADMP CC(C)C[C@H](CO)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894496810 583474156 /nfs/dbraw/zinc/47/41/56/583474156.db2.gz RALIRLCEIOSKRG-CQSZACIVSA-N 2 1 242.407 1.667 20 0 BDADMP CC[C@@H]1CN(C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894640399 583499664 /nfs/dbraw/zinc/49/96/64/583499664.db2.gz CBBMJAYJBLHHCZ-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000894866743 583537698 /nfs/dbraw/zinc/53/76/98/583537698.db2.gz APVWIANGIDUFGO-RYUDHWBXSA-N 2 1 226.389 1.518 20 0 BDADMP Cc1nc(C)c(C)c(N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000894996614 583566852 /nfs/dbraw/zinc/56/68/52/583566852.db2.gz NMRBQSKBBCWDIM-LLVKDONJSA-N 2 1 243.314 1.635 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000895146276 583604513 /nfs/dbraw/zinc/60/45/13/583604513.db2.gz DQBAFBZPNCTSJE-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cnc2cnccn12)[NH+](C)C ZINC000895296797 583641479 /nfs/dbraw/zinc/64/14/79/583641479.db2.gz QFYGOAQKPAJNMA-NSHDSACASA-N 2 1 247.346 1.159 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000895301121 583642829 /nfs/dbraw/zinc/64/28/29/583642829.db2.gz ZKFWWMIWIILHGV-WOPDTQHZSA-N 2 1 225.336 1.224 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000895301121 583642830 /nfs/dbraw/zinc/64/28/30/583642830.db2.gz ZKFWWMIWIILHGV-WOPDTQHZSA-N 2 1 225.336 1.224 20 0 BDADMP Cc1cc(N2CC[C@@H](CC[NH+](C)C)C2)nc(C)[nH+]1 ZINC000895331773 583653459 /nfs/dbraw/zinc/65/34/59/583653459.db2.gz XOLBSCXLRIJDPS-CYBMUJFWSA-N 2 1 248.374 1.871 20 0 BDADMP Cn1c2cc(F)ccc2nc1NC[C@H]1CC[N@H+]1C ZINC000895769962 583724325 /nfs/dbraw/zinc/72/43/25/583724325.db2.gz WUTVDHXQHFUOTM-SNVBAGLBSA-N 2 1 248.305 1.828 20 0 BDADMP C[N@H+]1CC[C@H]1CNc1ccnc2ccncc21 ZINC000895772217 583725429 /nfs/dbraw/zinc/72/54/29/583725429.db2.gz YFZNENAZJVIBRR-JTQLQIEISA-N 2 1 228.299 1.168 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883456517 583820956 /nfs/dbraw/zinc/82/09/56/583820956.db2.gz ABMOHHFOJINRJI-UHFFFAOYSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CCNCCC12CCC2 ZINC000883456517 583820958 /nfs/dbraw/zinc/82/09/58/583820958.db2.gz ABMOHHFOJINRJI-UHFFFAOYSA-N 2 1 237.391 1.204 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCNCCC12CCC2 ZINC000883456517 583820960 /nfs/dbraw/zinc/82/09/60/583820960.db2.gz ABMOHHFOJINRJI-UHFFFAOYSA-N 2 1 237.391 1.204 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@H]1CCC=CO1)C[NH+](C)C ZINC000896879531 583844829 /nfs/dbraw/zinc/84/48/29/583844829.db2.gz CWCHVTSQNZVDKY-OLZOCXBDSA-N 2 1 242.363 1.235 20 0 BDADMP CCO[C@H](C[NH2+]C[C@H]1C[C@@H]1C)C[NH+](C)C ZINC000896879716 583844868 /nfs/dbraw/zinc/84/48/68/583844868.db2.gz GHOKFPZWNRJUBL-QJPTWQEYSA-N 2 1 214.353 1.199 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@](C)(CC)OC)C[NH+](C)C ZINC000896879524 583844899 /nfs/dbraw/zinc/84/48/99/583844899.db2.gz CSZYVKNGZVUOEV-STQMWFEESA-N 2 1 246.395 1.358 20 0 BDADMP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000858093518 588932309 /nfs/dbraw/zinc/93/23/09/588932309.db2.gz AWALWRITLHPAOR-GFCCVEGCSA-N 2 1 249.333 1.795 20 0 BDADMP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000858093518 588932310 /nfs/dbraw/zinc/93/23/10/588932310.db2.gz AWALWRITLHPAOR-GFCCVEGCSA-N 2 1 249.333 1.795 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]c(CO)c1 ZINC000858386280 588950206 /nfs/dbraw/zinc/95/02/06/588950206.db2.gz ITTGHKXRSBKUMT-LLVKDONJSA-N 2 1 237.347 1.716 20 0 BDADMP CCC[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000897620273 584032676 /nfs/dbraw/zinc/03/26/76/584032676.db2.gz KOJHDTFSLNOKFP-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP CCC[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000897620273 584032678 /nfs/dbraw/zinc/03/26/78/584032678.db2.gz KOJHDTFSLNOKFP-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP CCC[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000897620273 584032680 /nfs/dbraw/zinc/03/26/80/584032680.db2.gz KOJHDTFSLNOKFP-BFHYXJOUSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC23CC(O)C3)CC1(C)C ZINC000897840930 584053358 /nfs/dbraw/zinc/05/33/58/584053358.db2.gz JORIJCPRGBQJCO-JJMZSNKZSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)[N@@H+](C)C1CC1 ZINC000899264349 584189196 /nfs/dbraw/zinc/18/91/96/584189196.db2.gz CJSZNXAWIWARTJ-NXEZZACHSA-N 2 1 238.379 1.382 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C1CCCC1 ZINC000899912389 584253418 /nfs/dbraw/zinc/25/34/18/584253418.db2.gz JCFSQIGLUXDMIO-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C1CCCC1 ZINC000899912389 584253419 /nfs/dbraw/zinc/25/34/19/584253419.db2.gz JCFSQIGLUXDMIO-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1C1CCCC1 ZINC000899912389 584253420 /nfs/dbraw/zinc/25/34/20/584253420.db2.gz JCFSQIGLUXDMIO-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1C1CCCC1 ZINC000899912389 584253421 /nfs/dbraw/zinc/25/34/21/584253421.db2.gz JCFSQIGLUXDMIO-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000902406583 584574205 /nfs/dbraw/zinc/57/42/05/584574205.db2.gz OIJTVTPWHSDLLY-MNOVXSKESA-N 2 1 214.328 1.986 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429486 584594984 /nfs/dbraw/zinc/59/49/84/584594984.db2.gz LZYDCQCYVYWIGT-XUXIUFHCSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)C1CC[NH+](C)CC1 ZINC000902473001 584601568 /nfs/dbraw/zinc/60/15/68/584601568.db2.gz NWSJJXBUOQXJRJ-AHLTXXRQSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC[NH+](C)CC1 ZINC000902473001 584601570 /nfs/dbraw/zinc/60/15/70/584601570.db2.gz NWSJJXBUOQXJRJ-AHLTXXRQSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cncs1 ZINC000902453448 584607961 /nfs/dbraw/zinc/60/79/61/584607961.db2.gz CZFGRCFHDIBQFE-NXEZZACHSA-N 2 1 225.361 1.936 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000902454839 584609139 /nfs/dbraw/zinc/60/91/39/584609139.db2.gz IWXRYMOHMCUWHB-VHSXEESVSA-N 2 1 232.287 1.192 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@H+]1CCC(C)(C)C1 ZINC000902456657 584610269 /nfs/dbraw/zinc/61/02/69/584610269.db2.gz QADQPTLNIXCPQH-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCCC1 ZINC000902466245 584613856 /nfs/dbraw/zinc/61/38/56/584613856.db2.gz KYLLOXHYJFFDQL-XJFOESAGSA-N 2 1 238.375 1.674 20 0 BDADMP Nc1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000902503880 584621548 /nfs/dbraw/zinc/62/15/48/584621548.db2.gz YJZAMUNTITXRSS-WPRPVWTQSA-N 2 1 240.376 1.332 20 0 BDADMP Cc1ncccc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000902513622 584623138 /nfs/dbraw/zinc/62/31/38/584623138.db2.gz MVQVDWQBITYUSS-CQSZACIVSA-N 2 1 245.370 1.807 20 0 BDADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486954 584625895 /nfs/dbraw/zinc/62/58/95/584625895.db2.gz HYCHZFHYRJIMTJ-NMFUWQPSSA-N 3 1 247.386 1.272 20 0 BDADMP C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902518521 584630722 /nfs/dbraw/zinc/63/07/22/584630722.db2.gz MDLXOWSJUNDWPA-RYDUCSDGSA-N 2 1 224.348 1.142 20 0 BDADMP Cc1cc(F)ncc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000902572800 584636864 /nfs/dbraw/zinc/63/68/64/584636864.db2.gz ZUPUHPDJMZUDEX-JTQLQIEISA-N 2 1 239.338 1.816 20 0 BDADMP CCc1onc(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000902621507 584645274 /nfs/dbraw/zinc/64/52/74/584645274.db2.gz LIPUUTNIPDAHET-UHFFFAOYSA-N 2 1 248.330 1.611 20 0 BDADMP OC/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903201675 584735220 /nfs/dbraw/zinc/73/52/20/584735220.db2.gz ZLVCQGLVYUSTEI-STHOBIQESA-N 2 1 236.359 1.282 20 0 BDADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCOC1)C2 ZINC000903191503 584735842 /nfs/dbraw/zinc/73/58/42/584735842.db2.gz AEUHGPXMHUUGMH-WDFAYWTNSA-N 2 1 236.359 1.523 20 0 BDADMP C[C@@H]1[C@@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000903300688 584744127 /nfs/dbraw/zinc/74/41/27/584744127.db2.gz LFVNRJNAQFLUTL-UPJWGTAASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000903300688 584744128 /nfs/dbraw/zinc/74/41/28/584744128.db2.gz LFVNRJNAQFLUTL-UPJWGTAASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000903300688 584744129 /nfs/dbraw/zinc/74/41/29/584744129.db2.gz LFVNRJNAQFLUTL-UPJWGTAASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCN1C ZINC000903300688 584744130 /nfs/dbraw/zinc/74/41/30/584744130.db2.gz LFVNRJNAQFLUTL-UPJWGTAASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCN1C ZINC000903300688 584744131 /nfs/dbraw/zinc/74/41/31/584744131.db2.gz LFVNRJNAQFLUTL-UPJWGTAASA-N 2 1 239.407 1.541 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C)[C@@H](C)C1 ZINC000903321607 584747052 /nfs/dbraw/zinc/74/70/52/584747052.db2.gz AXOQWOHIYNEDNS-XQQFMLRXSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903393343 584756546 /nfs/dbraw/zinc/75/65/46/584756546.db2.gz LILZTPGDSSNKKL-WOPDTQHZSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC1 ZINC000903427093 584760897 /nfs/dbraw/zinc/76/08/97/584760897.db2.gz SCCVGFJHGXSUQN-SASUGWTJSA-N 2 1 244.329 1.995 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000903431066 584761397 /nfs/dbraw/zinc/76/13/97/584761397.db2.gz LBFLFIUNXYLITL-RWMBFGLXSA-N 2 1 248.374 1.717 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430641 584761451 /nfs/dbraw/zinc/76/14/51/584761451.db2.gz YXYQJLNQOFGQNS-OLZOCXBDSA-N 2 1 228.380 1.598 20 0 BDADMP COC[C@H](C[NH2+][C@](C)(C[NH3+])C1CC1)C(C)C ZINC000903427276 584761646 /nfs/dbraw/zinc/76/16/46/584761646.db2.gz VULMVJPVBFVYIK-WCQYABFASA-N 2 1 228.380 1.622 20 0 BDADMP COC[C@@H](C[NH2+][C@](C)(C[NH3+])C(C)C)C(C)C ZINC000903427618 584761670 /nfs/dbraw/zinc/76/16/70/584761670.db2.gz ZNNRSCYNXGBOOY-CHWSQXEVSA-N 2 1 230.396 1.868 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903420542 584763846 /nfs/dbraw/zinc/76/38/46/584763846.db2.gz BTTLEPUYGIBDIJ-UPJWGTAASA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000903459421 584766081 /nfs/dbraw/zinc/76/60/81/584766081.db2.gz JQYKQOTWDBEIQJ-XQQFMLRXSA-N 2 1 249.362 1.042 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCCn1ccnc1 ZINC000903460616 584766495 /nfs/dbraw/zinc/76/64/95/584766495.db2.gz FRRGXHZEYWCIPX-OLZOCXBDSA-N 2 1 236.363 1.061 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000903443611 584768476 /nfs/dbraw/zinc/76/84/76/584768476.db2.gz FLPDVKOCLZXHPK-MBNYWOFBSA-N 2 1 237.391 1.010 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000903443989 584768928 /nfs/dbraw/zinc/76/89/28/584768928.db2.gz MAUAGPAFFDEJMD-DYEKYZERSA-N 2 1 237.391 1.282 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903444732 584769326 /nfs/dbraw/zinc/76/93/26/584769326.db2.gz VMXGHARJWKZLER-ZOBORPQBSA-N 2 1 239.407 1.256 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444980 584769630 /nfs/dbraw/zinc/76/96/30/584769630.db2.gz HDDBTAGTXUASKK-MCIONIFRSA-N 2 1 239.407 1.116 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444980 584769632 /nfs/dbraw/zinc/76/96/32/584769632.db2.gz HDDBTAGTXUASKK-MCIONIFRSA-N 3 1 239.407 1.116 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444980 584769634 /nfs/dbraw/zinc/76/96/34/584769634.db2.gz HDDBTAGTXUASKK-MCIONIFRSA-N 3 1 239.407 1.116 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444980 584769636 /nfs/dbraw/zinc/76/96/36/584769636.db2.gz HDDBTAGTXUASKK-MCIONIFRSA-N 3 1 239.407 1.116 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444980 584769638 /nfs/dbraw/zinc/76/96/38/584769638.db2.gz HDDBTAGTXUASKK-MCIONIFRSA-N 3 1 239.407 1.116 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/Cl ZINC000903446606 584770133 /nfs/dbraw/zinc/77/01/33/584770133.db2.gz ZNDPKWDDEINOKG-PTDMGADSSA-N 2 1 214.740 1.669 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903447092 584770896 /nfs/dbraw/zinc/77/08/96/584770896.db2.gz DIYNWIOGCSPXKP-HGCLJGPKSA-N 2 1 244.329 1.947 20 0 BDADMP C[C@@H](c1ncccn1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903450341 584771736 /nfs/dbraw/zinc/77/17/36/584771736.db2.gz UGEJTQJGZOJRBF-NWDGAFQWSA-N 2 1 234.347 1.598 20 0 BDADMP CC[N@H+]1C[C@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903454589 584773202 /nfs/dbraw/zinc/77/32/02/584773202.db2.gz DLXACHGKPMZAHA-MQYQWHSLSA-N 2 1 239.407 1.256 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(C)nn1 ZINC000903454745 584773413 /nfs/dbraw/zinc/77/34/13/584773413.db2.gz IVQDKPCRABRPHY-CYBMUJFWSA-N 2 1 248.374 1.571 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000903457043 584774010 /nfs/dbraw/zinc/77/40/10/584774010.db2.gz LEIPCGQUZDEVOI-QJPTWQEYSA-N 2 1 234.347 1.674 20 0 BDADMP Cn1cc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000903470337 584774500 /nfs/dbraw/zinc/77/45/00/584774500.db2.gz LENNIBOISZFXLX-CYBMUJFWSA-N 2 1 248.374 1.227 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000903472907 584775856 /nfs/dbraw/zinc/77/58/56/584775856.db2.gz WSNAYMLWFZDKJQ-CHWSQXEVSA-N 2 1 238.375 1.676 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903475811 584776908 /nfs/dbraw/zinc/77/69/08/584776908.db2.gz DOZRYABQHGNLPK-YVECIDJPSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903475811 584776909 /nfs/dbraw/zinc/77/69/09/584776909.db2.gz DOZRYABQHGNLPK-YVECIDJPSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903476593 584777099 /nfs/dbraw/zinc/77/70/99/584777099.db2.gz BPXRHCCCQHQKDV-SAVGLBRCSA-N 2 1 230.302 1.699 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903476593 584777101 /nfs/dbraw/zinc/77/71/01/584777101.db2.gz BPXRHCCCQHQKDV-SAVGLBRCSA-N 2 1 230.302 1.699 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(C)nn1 ZINC000903482845 584778674 /nfs/dbraw/zinc/77/86/74/584778674.db2.gz VONUMFCXRNFJJI-NEPJUHHUSA-N 2 1 234.347 1.309 20 0 BDADMP c1cnn(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903483089 584778836 /nfs/dbraw/zinc/77/88/36/584778836.db2.gz DDRLPZVLENHDJG-LBPRGKRZSA-N 2 1 234.347 1.147 20 0 BDADMP C[C@@H](c1ncccn1)[N@@H+](C)CCCCCC[NH3+] ZINC000903482417 584779056 /nfs/dbraw/zinc/77/90/56/584779056.db2.gz GSUXFDAPPDJLLL-LBPRGKRZSA-N 2 1 236.363 1.989 20 0 BDADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccn1 ZINC000903483109 584779358 /nfs/dbraw/zinc/77/93/58/584779358.db2.gz DKGGHYMVRHNVMW-CQSZACIVSA-N 2 1 245.370 1.888 20 0 BDADMP C[NH2+]CCC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491137 584780974 /nfs/dbraw/zinc/78/09/74/584780974.db2.gz XBUUPINJXQPKIK-CABCVRRESA-N 2 1 230.355 1.869 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cnn(CCF)c2)CC[C@@H]1[NH3+] ZINC000903716732 584791932 /nfs/dbraw/zinc/79/19/32/584791932.db2.gz QXYKZFDTJGDYMX-PWSUYJOCSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnn(CCF)c2)CC[C@@H]1[NH3+] ZINC000903716732 584791933 /nfs/dbraw/zinc/79/19/33/584791933.db2.gz QXYKZFDTJGDYMX-PWSUYJOCSA-N 2 1 240.326 1.022 20 0 BDADMP CCCC[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717402 584792508 /nfs/dbraw/zinc/79/25/08/584792508.db2.gz QIEYCPARHRVBGO-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000903712505 584792716 /nfs/dbraw/zinc/79/27/16/584792716.db2.gz MPCKZZMQMLFEAQ-OLZOCXBDSA-N 2 1 240.416 1.671 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713667 584793420 /nfs/dbraw/zinc/79/34/20/584793420.db2.gz YZTMRKSMFKYFFG-KBPBESRZSA-N 3 1 239.407 1.308 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713667 584793421 /nfs/dbraw/zinc/79/34/21/584793421.db2.gz YZTMRKSMFKYFFG-KBPBESRZSA-N 3 1 239.407 1.308 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903735138 584795987 /nfs/dbraw/zinc/79/59/87/584795987.db2.gz YBPOVFHICNJNSC-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767926 584798229 /nfs/dbraw/zinc/79/82/29/584798229.db2.gz JNDHCOJBXVXHGQ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP OCC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903768682 584798365 /nfs/dbraw/zinc/79/83/65/584798365.db2.gz PABONHHAMZYOOX-KGLIPLIRSA-N 2 1 240.391 1.613 20 0 BDADMP CCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903756362 584798428 /nfs/dbraw/zinc/79/84/28/584798428.db2.gz QLPHEFCLFNAFRT-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778025 584799930 /nfs/dbraw/zinc/79/99/30/584799930.db2.gz IUGZKINHEJKNOG-OLZOCXBDSA-N 2 1 240.391 1.469 20 0 BDADMP COCC1([N@@H+](C)C[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000903782006 584800163 /nfs/dbraw/zinc/80/01/63/584800163.db2.gz DBPWCBPQQONSQV-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCOC1CC1 ZINC000903806093 584802621 /nfs/dbraw/zinc/80/26/21/584802621.db2.gz UXDCOWGTYDFFBV-AAEUAGOBSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCOC1CC1 ZINC000903806093 584802623 /nfs/dbraw/zinc/80/26/23/584802623.db2.gz UXDCOWGTYDFFBV-AAEUAGOBSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]CCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903825703 584804579 /nfs/dbraw/zinc/80/45/79/584804579.db2.gz CPSLQPLZJGPEMU-LLVKDONJSA-N 2 1 214.378 1.553 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903827487 584805094 /nfs/dbraw/zinc/80/50/94/584805094.db2.gz UKHOOTCIMOQBHG-LBPRGKRZSA-N 2 1 244.404 1.179 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903825962 584805100 /nfs/dbraw/zinc/80/51/00/584805100.db2.gz GFRCQFQMPJOGHP-YPMHNXCESA-N 2 1 240.416 1.813 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[C@]13CCOC3)C2 ZINC000903838268 584806584 /nfs/dbraw/zinc/80/65/84/584806584.db2.gz AWPCUMPWGGZNDB-ZSLBOAEBSA-N 2 1 236.359 1.225 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903838779 584807144 /nfs/dbraw/zinc/80/71/44/584807144.db2.gz FAXJJCGWFBCCPM-XUXIUFHCSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903838779 584807146 /nfs/dbraw/zinc/80/71/46/584807146.db2.gz FAXJJCGWFBCCPM-XUXIUFHCSA-N 2 1 237.391 1.188 20 0 BDADMP NC[C@@]12CC[C@@H]1CC[N@H+]2CC1CC=CC1 ZINC000903856620 584809284 /nfs/dbraw/zinc/80/92/84/584809284.db2.gz AOJBSSJUPWXYKE-OLZOCXBDSA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC1CC=CC1 ZINC000903856620 584809286 /nfs/dbraw/zinc/80/92/86/584809286.db2.gz AOJBSSJUPWXYKE-OLZOCXBDSA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC1CC=CC1 ZINC000903856620 584809288 /nfs/dbraw/zinc/80/92/88/584809288.db2.gz AOJBSSJUPWXYKE-OLZOCXBDSA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCC1CCC1 ZINC000903858191 584810491 /nfs/dbraw/zinc/81/04/91/584810491.db2.gz HLTSVVLVLCCKOH-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCC1CCC1 ZINC000903858191 584810492 /nfs/dbraw/zinc/81/04/92/584810492.db2.gz HLTSVVLVLCCKOH-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903859539 584811346 /nfs/dbraw/zinc/81/13/46/584811346.db2.gz NSAGXZNFGOKVHE-XVIXHAIJSA-N 2 1 220.360 1.846 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903859539 584811347 /nfs/dbraw/zinc/81/13/47/584811347.db2.gz NSAGXZNFGOKVHE-XVIXHAIJSA-N 2 1 220.360 1.846 20 0 BDADMP NC[C@@]12CC[C@@H]1CC[N@H+]2CCCCCC[NH3+] ZINC000903861429 584812132 /nfs/dbraw/zinc/81/21/32/584812132.db2.gz WWOTYSPEAKZDJG-OLZOCXBDSA-N 2 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861429 584812133 /nfs/dbraw/zinc/81/21/33/584812133.db2.gz WWOTYSPEAKZDJG-OLZOCXBDSA-N 3 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861429 584812134 /nfs/dbraw/zinc/81/21/34/584812134.db2.gz WWOTYSPEAKZDJG-OLZOCXBDSA-N 3 1 225.380 1.319 20 0 BDADMP CC1CC(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903864086 584813437 /nfs/dbraw/zinc/81/34/37/584813437.db2.gz QYMSSMUWJMNIPQ-FIYWTHMPSA-N 2 1 208.349 1.846 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903864086 584813438 /nfs/dbraw/zinc/81/34/38/584813438.db2.gz QYMSSMUWJMNIPQ-FIYWTHMPSA-N 2 1 208.349 1.846 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCOCC12CC2 ZINC000903909353 584821798 /nfs/dbraw/zinc/82/17/98/584821798.db2.gz UHSRIZQBTVGVJW-YHWZYXNKSA-N 2 1 236.359 1.382 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903907982 584821991 /nfs/dbraw/zinc/82/19/91/584821991.db2.gz BVRRRGHOXJDKLJ-KOLCDFICSA-N 2 1 236.306 1.206 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903907982 584821992 /nfs/dbraw/zinc/82/19/92/584821992.db2.gz BVRRRGHOXJDKLJ-KOLCDFICSA-N 2 1 236.306 1.206 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903918795 584823390 /nfs/dbraw/zinc/82/33/90/584823390.db2.gz IHFUZGCWSSJSJI-CYBMUJFWSA-N 3 1 233.359 1.159 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000903929875 584824084 /nfs/dbraw/zinc/82/40/84/584824084.db2.gz NKTPFAOAPQCDRV-AGUYFDCRSA-N 3 1 249.402 1.345 20 0 BDADMP [NH3+]CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000903947778 584829602 /nfs/dbraw/zinc/82/96/02/584829602.db2.gz HPFCHXZIURTCJU-QWHCGFSZSA-N 2 1 222.307 1.950 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969774 584832102 /nfs/dbraw/zinc/83/21/02/584832102.db2.gz KXIWKLIXDQQDNW-JHJVBQTASA-N 2 1 238.375 1.391 20 0 BDADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cccnc1 ZINC000903955235 584832301 /nfs/dbraw/zinc/83/23/01/584832301.db2.gz NLLSNJYKFMSGPR-NSHDSACASA-N 2 1 241.285 1.416 20 0 BDADMP C[C@@H]1C[N@H+](CC[NH2+]C(C)(C)C)C[C@H]1CC[NH3+] ZINC000903978513 584832940 /nfs/dbraw/zinc/83/29/40/584832940.db2.gz OSLZSBKVGZVZNU-VXGBXAGGSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@@H]1C[N@@H+](CC[NH2+]C(C)(C)C)C[C@H]1CC[NH3+] ZINC000903978513 584832941 /nfs/dbraw/zinc/83/29/41/584832941.db2.gz OSLZSBKVGZVZNU-VXGBXAGGSA-N 3 1 227.396 1.291 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978466 584833030 /nfs/dbraw/zinc/83/30/30/584833030.db2.gz GIVVSOWUONDYPW-MWLCHTKSSA-N 2 1 222.336 1.053 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000903963926 584833849 /nfs/dbraw/zinc/83/38/49/584833849.db2.gz JSLLYXQJWCVIHM-KCPJHIHWSA-N 2 1 230.355 1.741 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299918 584860506 /nfs/dbraw/zinc/86/05/06/584860506.db2.gz RNQZQCQABOMFRU-CQSZACIVSA-N 3 1 233.359 1.187 20 0 BDADMP C[NH2+]C[C@H]1CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299918 584860507 /nfs/dbraw/zinc/86/05/07/584860507.db2.gz RNQZQCQABOMFRU-CQSZACIVSA-N 2 1 233.359 1.187 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904300197 584861437 /nfs/dbraw/zinc/86/14/37/584861437.db2.gz YRFITZKYCKYYMQ-BXUZGUMPSA-N 3 1 233.359 1.314 20 0 BDADMP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904300197 584861438 /nfs/dbraw/zinc/86/14/38/584861438.db2.gz YRFITZKYCKYYMQ-BXUZGUMPSA-N 2 1 233.359 1.314 20 0 BDADMP CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303688 584861779 /nfs/dbraw/zinc/86/17/79/584861779.db2.gz CVYKHZXQZYUMIB-TUAOUCFPSA-N 2 1 240.347 1.141 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000904315986 584862662 /nfs/dbraw/zinc/86/26/62/584862662.db2.gz HVKVHQMBFPLALB-GRYCIOLGSA-N 2 1 234.347 1.674 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311816 584862720 /nfs/dbraw/zinc/86/27/20/584862720.db2.gz HTQVNNHHQXBCQO-AAEUAGOBSA-N 2 1 242.363 1.117 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904311817 584862766 /nfs/dbraw/zinc/86/27/66/584862766.db2.gz HTQVNNHHQXBCQO-DGCLKSJQSA-N 2 1 242.363 1.117 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000904313225 584863166 /nfs/dbraw/zinc/86/31/66/584863166.db2.gz XDZZWXKJXQLOGY-SDDRHHMPSA-N 2 1 234.347 1.326 20 0 BDADMP CN1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)Cc2ccccc21 ZINC000904337707 584863233 /nfs/dbraw/zinc/86/32/33/584863233.db2.gz FUILOYPVIIMYQU-XBXGTLAGSA-N 2 1 245.370 1.676 20 0 BDADMP C[C@@]1(C[N@@H+](CCCO)C2CC2)CCC[NH2+]C1 ZINC000904320415 584863800 /nfs/dbraw/zinc/86/38/00/584863800.db2.gz GNIMTFXPLXFUQA-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@H](O)CC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904322075 584864682 /nfs/dbraw/zinc/86/46/82/584864682.db2.gz NXKWEZGETJTYDP-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP C[N@@H+](CC1(CO)CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904338815 584864932 /nfs/dbraw/zinc/86/49/32/584864932.db2.gz VEENIBCGMQMEBP-GFCCVEGCSA-N 2 1 226.364 1.080 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1n1ccnc1 ZINC000904327959 584865071 /nfs/dbraw/zinc/86/50/71/584865071.db2.gz JZQQUUAIOHJIHO-YIYPIFLZSA-N 2 1 248.374 1.503 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325404 584865232 /nfs/dbraw/zinc/86/52/32/584865232.db2.gz YIIUDHTVBKULKM-MELADBBJSA-N 3 1 239.407 1.387 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325404 584865233 /nfs/dbraw/zinc/86/52/33/584865233.db2.gz YIIUDHTVBKULKM-MELADBBJSA-N 3 1 239.407 1.387 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325404 584865234 /nfs/dbraw/zinc/86/52/34/584865234.db2.gz YIIUDHTVBKULKM-MELADBBJSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904332575 584865915 /nfs/dbraw/zinc/86/59/15/584865915.db2.gz RXDDVOLJUBRIDT-AVGNSLFASA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+](CCCCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904341288 584867226 /nfs/dbraw/zinc/86/72/26/584867226.db2.gz MOKNLTNBWOFCML-LBPRGKRZSA-N 2 1 230.396 1.844 20 0 BDADMP C[N@@H+](CCCCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904341288 584867227 /nfs/dbraw/zinc/86/72/27/584867227.db2.gz MOKNLTNBWOFCML-LBPRGKRZSA-N 2 1 230.396 1.844 20 0 BDADMP CC1(C)C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346511 584868478 /nfs/dbraw/zinc/86/84/78/584868478.db2.gz SHPQFLCEELKBDV-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP COCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[C@@H](C)C1 ZINC000904346203 584868550 /nfs/dbraw/zinc/86/85/50/584868550.db2.gz QSCCUDUDNOFRKK-YIYPIFLZSA-N 2 1 240.391 1.861 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904349852 584869082 /nfs/dbraw/zinc/86/90/82/584869082.db2.gz DGBKSDDTPUPFLN-UHFFFAOYSA-N 3 1 235.375 1.752 20 0 BDADMP CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904357872 584871831 /nfs/dbraw/zinc/87/18/31/584871831.db2.gz CLUSUODRGZLUDW-CYBMUJFWSA-N 2 1 235.375 1.608 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904357872 584871833 /nfs/dbraw/zinc/87/18/33/584871833.db2.gz CLUSUODRGZLUDW-CYBMUJFWSA-N 3 1 235.375 1.608 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1CCO ZINC000904372234 584873503 /nfs/dbraw/zinc/87/35/03/584873503.db2.gz ZTOUIACKHWFLQX-OLZOCXBDSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CCO ZINC000904372234 584873504 /nfs/dbraw/zinc/87/35/04/584873504.db2.gz ZTOUIACKHWFLQX-OLZOCXBDSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C2(CCC2)CO1 ZINC000904375678 584875541 /nfs/dbraw/zinc/87/55/41/584875541.db2.gz FENNSHORGMWHIL-SDDRHHMPSA-N 2 1 224.348 1.367 20 0 BDADMP C[N@@H+](CC1=CCSC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904378645 584875849 /nfs/dbraw/zinc/87/58/49/584875849.db2.gz GNKSZNXCDSTIID-ZDUSSCGKSA-N 2 1 240.416 1.981 20 0 BDADMP C[C@@H](O)C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904377061 584875988 /nfs/dbraw/zinc/87/59/88/584875988.db2.gz IRLUNJCKGGVWOV-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](CCN1CCCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376679 584876127 /nfs/dbraw/zinc/87/61/27/584876127.db2.gz WWHVXTIKGKQAPZ-BETUJISGSA-N 2 1 225.380 1.141 20 0 BDADMP CN(CC[NH+]1CCCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376679 584876128 /nfs/dbraw/zinc/87/61/28/584876128.db2.gz WWHVXTIKGKQAPZ-BETUJISGSA-N 2 1 225.380 1.141 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3c(O)cccc3C2)C1 ZINC000904381787 584877214 /nfs/dbraw/zinc/87/72/14/584877214.db2.gz UTAWTLGEDCEWFL-KLPPZKSPSA-N 2 1 232.327 1.488 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000904385734 584878035 /nfs/dbraw/zinc/87/80/35/584878035.db2.gz DDWCTMILXOUKKS-WUHRBBMRSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000904385733 584878072 /nfs/dbraw/zinc/87/80/72/584878072.db2.gz DDWCTMILXOUKKS-RVMXOQNASA-N 2 1 224.348 1.225 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@@H]1C[NH3+] ZINC000904410286 584878828 /nfs/dbraw/zinc/87/88/28/584878828.db2.gz OACHMORCFNDFGG-DTWKUNHWSA-N 2 1 240.376 1.142 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC000904410553 584878941 /nfs/dbraw/zinc/87/89/41/584878941.db2.gz HJZBBNQLASQRGS-ZYHUDNBSSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)CSC(C)(C)C ZINC000817966091 584992626 /nfs/dbraw/zinc/99/26/26/584992626.db2.gz GFMHMOWJVUCQCX-RKDXNWHRSA-N 2 1 204.383 1.843 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000886832172 585181304 /nfs/dbraw/zinc/18/13/04/585181304.db2.gz CFCHUXGCABPSGG-MQYQWHSLSA-N 2 1 236.359 1.239 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C1(C(N)=O)CCCC1 ZINC000755064080 585294281 /nfs/dbraw/zinc/29/42/81/585294281.db2.gz HMDPTVVTRHEFIL-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760841856 585398909 /nfs/dbraw/zinc/39/89/09/585398909.db2.gz ADMPFLLDHLFOGR-AWEZNQCLSA-N 2 1 239.407 1.356 20 0 BDADMP CC[N@H+]1C[C@H](C)N(c2cc(C)[nH+]c(N)n2)C[C@H]1C ZINC000765640104 585491817 /nfs/dbraw/zinc/49/18/17/585491817.db2.gz GSMNZDIBPFDAMG-MNOVXSKESA-N 2 1 249.362 1.286 20 0 BDADMP C[N@H+]1CCN(CC[NH+]2CCCC2)C(C)(C)C1 ZINC000767002800 585512396 /nfs/dbraw/zinc/51/23/96/585512396.db2.gz LTQUZXOYWCDNSR-UHFFFAOYSA-N 2 1 225.380 1.108 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000770510867 585575319 /nfs/dbraw/zinc/57/53/19/585575319.db2.gz SWXQFLZQFRUDTM-LBPRGKRZSA-N 2 1 212.337 1.049 20 0 BDADMP FCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000777559692 585715368 /nfs/dbraw/zinc/71/53/68/585715368.db2.gz ISEUDLWCIVQIFX-OKILXGFUSA-N 2 1 234.318 1.807 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000779339787 585751491 /nfs/dbraw/zinc/75/14/91/585751491.db2.gz FCIBATHNCVSOFC-JSGCOSHPSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779340187 585751661 /nfs/dbraw/zinc/75/16/61/585751661.db2.gz HJKHRHKHGBTXJA-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)CCO)[NH+]1CCCC1 ZINC000779344272 585752188 /nfs/dbraw/zinc/75/21/88/585752188.db2.gz UPGYTCFARHABQH-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)[C@H](C[NH2+][C@@H](C)CCO)[NH+]1CCCC1 ZINC000779382800 585752831 /nfs/dbraw/zinc/75/28/31/585752831.db2.gz DTIIFLGWMJASMJ-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCO ZINC000779401050 585753367 /nfs/dbraw/zinc/75/33/67/585753367.db2.gz SFCADWUYMDEZOG-QWRGUYRKSA-N 2 1 202.342 1.077 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCO ZINC000779401050 585753368 /nfs/dbraw/zinc/75/33/68/585753368.db2.gz SFCADWUYMDEZOG-QWRGUYRKSA-N 2 1 202.342 1.077 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC(OC)OC)C[C@H]1C ZINC000781898111 585804934 /nfs/dbraw/zinc/80/49/34/585804934.db2.gz GUEHDHFKBHOTDQ-VXGBXAGGSA-N 2 1 244.379 1.410 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(OC)OC)C[C@H]1C ZINC000781898111 585804935 /nfs/dbraw/zinc/80/49/35/585804935.db2.gz GUEHDHFKBHOTDQ-VXGBXAGGSA-N 2 1 244.379 1.410 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(OC)OC)C[C@H]1C ZINC000781898111 585804936 /nfs/dbraw/zinc/80/49/36/585804936.db2.gz GUEHDHFKBHOTDQ-VXGBXAGGSA-N 2 1 244.379 1.410 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(OC)OC)C[C@H]1C ZINC000781898111 585804937 /nfs/dbraw/zinc/80/49/37/585804937.db2.gz GUEHDHFKBHOTDQ-VXGBXAGGSA-N 2 1 244.379 1.410 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000783240773 585831823 /nfs/dbraw/zinc/83/18/23/585831823.db2.gz QPLWXLZKIJGBBG-MCIONIFRSA-N 2 1 240.391 1.611 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000786670255 585896122 /nfs/dbraw/zinc/89/61/22/585896122.db2.gz HJSVIDAKLLXTNM-UHFFFAOYSA-N 2 1 212.337 1.193 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000786670255 585896123 /nfs/dbraw/zinc/89/61/23/585896123.db2.gz HJSVIDAKLLXTNM-UHFFFAOYSA-N 2 1 212.337 1.193 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788474876 585925232 /nfs/dbraw/zinc/92/52/32/585925232.db2.gz LCCLGPHFQYEJQX-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH+](C)CCC[N@H+](C)C[C@@H](C)OC ZINC000796642630 586108992 /nfs/dbraw/zinc/10/89/92/586108992.db2.gz RCBMSOBZOMMSOM-CHWSQXEVSA-N 2 1 246.395 1.310 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815145564 586670252 /nfs/dbraw/zinc/67/02/52/586670252.db2.gz YRASEMYZGWLUPB-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815145564 586670253 /nfs/dbraw/zinc/67/02/53/586670253.db2.gz YRASEMYZGWLUPB-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815145564 586670255 /nfs/dbraw/zinc/67/02/55/586670255.db2.gz YRASEMYZGWLUPB-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCCO ZINC000817918835 586831085 /nfs/dbraw/zinc/83/10/85/586831085.db2.gz NPABOHZJMRWLHZ-NWDGAFQWSA-N 2 1 214.353 1.127 20 0 BDADMP Cc1ncc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000817915183 586831879 /nfs/dbraw/zinc/83/18/79/586831879.db2.gz IIGOXGBNXYQYFI-SKDRFNHKSA-N 2 1 239.388 1.582 20 0 BDADMP C[C@@H]([NH2+]CCC[NH3+])c1cccnc1Cl ZINC000817938411 586844120 /nfs/dbraw/zinc/84/41/20/586844120.db2.gz JYLGJYUMDBFVHJ-MRVPVSSYSA-N 2 1 213.712 1.734 20 0 BDADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000817913295 586839059 /nfs/dbraw/zinc/83/90/59/586839059.db2.gz NHBALKMMAQCTAH-UMNHJUIQSA-N 2 1 240.372 1.425 20 0 BDADMP C[C@H]([NH2+]CCCCCCO)c1c[nH+]ccc1N ZINC000817918121 586840403 /nfs/dbraw/zinc/84/04/03/586840403.db2.gz HNIMOIXSBPJWGX-NSHDSACASA-N 2 1 237.347 1.697 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC=CO1)c1c[nH+]ccc1N ZINC000817923940 586841800 /nfs/dbraw/zinc/84/18/00/586841800.db2.gz ITCJKMOPAMRZDE-WDEREUQCSA-N 2 1 233.315 1.837 20 0 BDADMP C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CC[NH2+]C1 ZINC000817944805 586846417 /nfs/dbraw/zinc/84/64/17/586846417.db2.gz MSQCMNQZDHEAFE-UWVGGRQHSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000817970251 586858151 /nfs/dbraw/zinc/85/81/51/586858151.db2.gz PMPJIUXPFMQXNT-SMDDNHRTSA-N 2 1 218.344 1.871 20 0 BDADMP c1n[nH]c2c1[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000817986557 586862639 /nfs/dbraw/zinc/86/26/39/586862639.db2.gz RQVQXRMQHKUZDF-CYBMUJFWSA-N 2 1 246.358 1.687 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818981219 586919898 /nfs/dbraw/zinc/91/98/98/586919898.db2.gz STIIILNIMOIQIB-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971251 587640321 /nfs/dbraw/zinc/64/03/21/587640321.db2.gz UHTVMTQBSFPQAG-YPMHNXCESA-N 2 1 241.379 1.104 20 0 BDADMP Cc1ccc(N2CCC[N@@H+](CCC[NH3+])CC2)cc1 ZINC000841003490 587934570 /nfs/dbraw/zinc/93/45/70/587934570.db2.gz VCLVTYJLMLXVJM-UHFFFAOYSA-N 2 1 247.386 1.856 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105757 587946409 /nfs/dbraw/zinc/94/64/09/587946409.db2.gz VKBPGSYCUYMTQG-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105757 587946410 /nfs/dbraw/zinc/94/64/10/587946410.db2.gz VKBPGSYCUYMTQG-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CCC[N@H+](C)Cc1nc([C@@H](C)C[NH2+]C)no1 ZINC000842584605 588044349 /nfs/dbraw/zinc/04/43/49/588044349.db2.gz WNWXHHHJCYXJPF-VIFPVBQESA-N 2 1 226.324 1.234 20 0 BDADMP CCC[N@@H+](C)Cc1nc([C@@H](C)C[NH2+]C)no1 ZINC000842584605 588044350 /nfs/dbraw/zinc/04/43/50/588044350.db2.gz WNWXHHHJCYXJPF-VIFPVBQESA-N 2 1 226.324 1.234 20 0 BDADMP C[N@@H+](Cc1ccc2c(c1)COC2)C1CC[NH2+]CC1 ZINC000843045817 588076467 /nfs/dbraw/zinc/07/64/67/588076467.db2.gz KTORLVWQEPTWPD-UHFFFAOYSA-N 2 1 246.354 1.901 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@H]1[NH3+] ZINC000843051688 588077400 /nfs/dbraw/zinc/07/74/00/588077400.db2.gz KKFYQMSOJUEKIO-IAQYHMDHSA-N 2 1 246.354 1.886 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000843345360 588102193 /nfs/dbraw/zinc/10/21/93/588102193.db2.gz CLLATUSVTPGHTH-LBPRGKRZSA-N 3 1 213.369 1.319 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000843345360 588102195 /nfs/dbraw/zinc/10/21/95/588102195.db2.gz CLLATUSVTPGHTH-LBPRGKRZSA-N 3 1 213.369 1.319 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843349267 588102551 /nfs/dbraw/zinc/10/25/51/588102551.db2.gz QBRXOKBRJRSHTL-ZDUSSCGKSA-N 3 1 227.396 1.437 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000843360232 588104222 /nfs/dbraw/zinc/10/42/22/588104222.db2.gz IEYDTBFRQWNBGT-FUDCBSFHSA-N 3 1 237.391 1.330 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC[C@@H]1CC[NH2+]C1 ZINC000843360232 588104224 /nfs/dbraw/zinc/10/42/24/588104224.db2.gz IEYDTBFRQWNBGT-FUDCBSFHSA-N 2 1 237.391 1.330 20 0 BDADMP c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CN2 ZINC000844907633 588218845 /nfs/dbraw/zinc/21/88/45/588218845.db2.gz LIECULZKNDOPQH-QWHCGFSZSA-N 2 1 231.343 1.365 20 0 BDADMP C[C@H]1CN(CCCCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000846217359 588260449 /nfs/dbraw/zinc/26/04/49/588260449.db2.gz FMDKIQIFCNRABE-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP CCN1CCC[N@@H+](CCCCCC[NH3+])CC1=O ZINC000846220095 588260763 /nfs/dbraw/zinc/26/07/63/588260763.db2.gz BKOFNHUQPSHHCB-UHFFFAOYSA-N 2 1 241.379 1.060 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000846220345 588261025 /nfs/dbraw/zinc/26/10/25/588261025.db2.gz GOCVQCWPAMRASI-CQSZACIVSA-N 3 1 239.407 1.581 20 0 BDADMP C[C@H]1NCC[N@@H+](CCCCCC[NH3+])[C@@H]1C ZINC000846220454 588261304 /nfs/dbraw/zinc/26/13/04/588261304.db2.gz PYIVQZVEUCTEKP-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@H]1[NH2+]CCN(CCCCCC[NH3+])[C@@H]1C ZINC000846220454 588261305 /nfs/dbraw/zinc/26/13/05/588261305.db2.gz PYIVQZVEUCTEKP-VXGBXAGGSA-N 2 1 213.369 1.188 20 0 BDADMP CCN1C[C@H](C)[N@@H+](CCCCCC[NH3+])C[C@H]1C ZINC000846221265 588261471 /nfs/dbraw/zinc/26/14/71/588261471.db2.gz VWRWDUPLYANRQS-KGLIPLIRSA-N 2 1 241.423 1.920 20 0 BDADMP CC[N@@H+]1C[C@H](C)N(CCCCCC[NH3+])C[C@H]1C ZINC000846221265 588261472 /nfs/dbraw/zinc/26/14/72/588261472.db2.gz VWRWDUPLYANRQS-KGLIPLIRSA-N 2 1 241.423 1.920 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CCCCCC[NH3+])C[C@H]1C ZINC000846221265 588261473 /nfs/dbraw/zinc/26/14/73/588261473.db2.gz VWRWDUPLYANRQS-KGLIPLIRSA-N 2 1 241.423 1.920 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846223065 588261644 /nfs/dbraw/zinc/26/16/44/588261644.db2.gz GMGQTPGXVTVPIE-QWHCGFSZSA-N 3 1 227.396 1.422 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCF)C1 ZINC000846227760 588261992 /nfs/dbraw/zinc/26/19/92/588261992.db2.gz HDUNOFSXQZXOKI-IJLUTSLNSA-N 2 1 230.327 1.317 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCO)C1CC1 ZINC000846855350 588293308 /nfs/dbraw/zinc/29/33/08/588293308.db2.gz VXAZRPASTOKMHV-ZDUSSCGKSA-N 2 1 237.347 1.103 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000848987499 588426030 /nfs/dbraw/zinc/42/60/30/588426030.db2.gz BHJNRVFAQDPHFV-VXGBXAGGSA-N 2 1 240.395 1.631 20 0 BDADMP CCNC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000848989300 588426637 /nfs/dbraw/zinc/42/66/37/588426637.db2.gz MAQUHIMJXPGEKW-GFCCVEGCSA-N 2 1 240.395 1.775 20 0 BDADMP C[N@H+](CCNC(=[NH2+])N1CCCCCC1)C1CC1 ZINC000848997624 588430025 /nfs/dbraw/zinc/43/00/25/588430025.db2.gz UVOJGCSHPCAHLT-UHFFFAOYSA-N 2 1 238.379 1.481 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])N1CCCCCC1)C1CC1 ZINC000848997624 588430026 /nfs/dbraw/zinc/43/00/26/588430026.db2.gz UVOJGCSHPCAHLT-UHFFFAOYSA-N 2 1 238.379 1.481 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)F ZINC000849033601 588443966 /nfs/dbraw/zinc/44/39/66/588443966.db2.gz RHCFKFGDTJMLKO-QWRGUYRKSA-N 2 1 244.358 1.333 20 0 BDADMP CCCNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041527 588447888 /nfs/dbraw/zinc/44/78/88/588447888.db2.gz RPQPUPDBTZEYDJ-NSHDSACASA-N 2 1 226.368 1.242 20 0 BDADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NC2CCC2)C1 ZINC000849041174 588447937 /nfs/dbraw/zinc/44/79/37/588447937.db2.gz MJDMUPXCPMELFE-LLVKDONJSA-N 2 1 238.379 1.385 20 0 BDADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCCCC1 ZINC000849133238 588452937 /nfs/dbraw/zinc/45/29/37/588452937.db2.gz IPWBGGNOZOVCPQ-GFCCVEGCSA-N 2 1 249.362 1.189 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000110370935 588658830 /nfs/dbraw/zinc/65/88/30/588658830.db2.gz RQIGUXPABYYTNR-CQSZACIVSA-N 2 1 239.407 1.676 20 0 BDADMP [NH3+]CCCCCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000110370935 588658831 /nfs/dbraw/zinc/65/88/31/588658831.db2.gz RQIGUXPABYYTNR-CQSZACIVSA-N 2 1 239.407 1.676 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOC(F)F)C[C@@H]21 ZINC000852746631 588698940 /nfs/dbraw/zinc/69/89/40/588698940.db2.gz MUWRXALALMMDTH-LPEHRKFASA-N 2 1 234.290 1.285 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])[C@H](CN)C1 ZINC000852758994 588700634 /nfs/dbraw/zinc/70/06/34/588700634.db2.gz IRNUSQJWSJRBIC-KGLIPLIRSA-N 2 1 241.423 1.955 20 0 BDADMP C[C@@H]1CCN(CCCCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000852758994 588700635 /nfs/dbraw/zinc/70/06/35/588700635.db2.gz IRNUSQJWSJRBIC-KGLIPLIRSA-N 2 1 241.423 1.955 20 0 BDADMP N[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1F ZINC000852760728 588700973 /nfs/dbraw/zinc/70/09/73/588700973.db2.gz MQWFEUDDMULEMM-VXGBXAGGSA-N 2 1 231.359 1.267 20 0 BDADMP [NH3+]CCCCCCCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852760728 588700974 /nfs/dbraw/zinc/70/09/74/588700974.db2.gz MQWFEUDDMULEMM-VXGBXAGGSA-N 2 1 231.359 1.267 20 0 BDADMP C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863481308 589292502 /nfs/dbraw/zinc/29/25/02/589292502.db2.gz BWJICYNJSRTMMX-AAEUAGOBSA-N 2 1 248.374 1.225 20 0 BDADMP COC1(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CCCC1 ZINC000863641733 589306557 /nfs/dbraw/zinc/30/65/57/589306557.db2.gz JKBFCTOGGPPOHI-CYBMUJFWSA-N 2 1 238.375 1.774 20 0 BDADMP COC1(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CCCC1 ZINC000863641733 589306559 /nfs/dbraw/zinc/30/65/59/589306559.db2.gz JKBFCTOGGPPOHI-CYBMUJFWSA-N 2 1 238.375 1.774 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864453514 589366122 /nfs/dbraw/zinc/36/61/22/589366122.db2.gz XLPFVLOKWSOCHK-MNOVXSKESA-N 2 1 226.368 1.239 20 0 BDADMP CC(C)(O)C[N@@H+]1CC[C@H](NCc2cccnc2)C1 ZINC000865658380 589454763 /nfs/dbraw/zinc/45/47/63/589454763.db2.gz LXHWOGOOAPPHIZ-ZDUSSCGKSA-N 2 1 249.358 1.016 20 0 BDADMP CC(C)(O)C[N@H+]1CC[C@H](NCc2cccnc2)C1 ZINC000865658380 589454764 /nfs/dbraw/zinc/45/47/64/589454764.db2.gz LXHWOGOOAPPHIZ-ZDUSSCGKSA-N 2 1 249.358 1.016 20 0 BDADMP Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000866206781 589480114 /nfs/dbraw/zinc/48/01/14/589480114.db2.gz NCSHJRRMJYGMNB-CHWSQXEVSA-N 2 1 246.358 1.624 20 0 BDADMP Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000866206781 589480115 /nfs/dbraw/zinc/48/01/15/589480115.db2.gz NCSHJRRMJYGMNB-CHWSQXEVSA-N 2 1 246.358 1.624 20 0 BDADMP Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc[nH+]1 ZINC000866206666 589480247 /nfs/dbraw/zinc/48/02/47/589480247.db2.gz FHIMKCTUQNIHBA-OCCSQVGLSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866204826 589480348 /nfs/dbraw/zinc/48/03/48/589480348.db2.gz GNNBCWNLCLUBOL-QWHCGFSZSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866204826 589480349 /nfs/dbraw/zinc/48/03/49/589480349.db2.gz GNNBCWNLCLUBOL-QWHCGFSZSA-N 2 1 231.343 1.920 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C3CCCC3)CC[C@H]21 ZINC000866585428 589501944 /nfs/dbraw/zinc/50/19/44/589501944.db2.gz XYWIALXVWAQLIS-DGCLKSJQSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCCC3)CC[C@H]21 ZINC000866585428 589501945 /nfs/dbraw/zinc/50/19/45/589501945.db2.gz XYWIALXVWAQLIS-DGCLKSJQSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000866585428 589501946 /nfs/dbraw/zinc/50/19/46/589501946.db2.gz XYWIALXVWAQLIS-DGCLKSJQSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000866585428 589501947 /nfs/dbraw/zinc/50/19/47/589501947.db2.gz XYWIALXVWAQLIS-DGCLKSJQSA-N 2 1 208.349 1.955 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000866660017 589507955 /nfs/dbraw/zinc/50/79/55/589507955.db2.gz AOTRWORYKVBFQC-OKZRHMCRSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000866660021 589508091 /nfs/dbraw/zinc/50/80/91/589508091.db2.gz AOTRWORYKVBFQC-ZSVAQUKISA-N 2 1 226.364 1.613 20 0 BDADMP CC1(C)CCNCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000866696931 589512776 /nfs/dbraw/zinc/51/27/76/589512776.db2.gz CUPMEGVMJLYLAY-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)CC[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000866696931 589512778 /nfs/dbraw/zinc/51/27/78/589512778.db2.gz CUPMEGVMJLYLAY-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)CCNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000866699717 589512950 /nfs/dbraw/zinc/51/29/50/589512950.db2.gz TUUGHRRBRFKVNO-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)CC[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000866699717 589512952 /nfs/dbraw/zinc/51/29/52/589512952.db2.gz TUUGHRRBRFKVNO-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866703734 589513420 /nfs/dbraw/zinc/51/34/20/589513420.db2.gz LFCVMIWKKPDVMS-JHJVBQTASA-N 2 1 240.416 1.671 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866703750 589513565 /nfs/dbraw/zinc/51/35/65/589513565.db2.gz LQEWNJLAVGMTNW-MNOVXSKESA-N 2 1 214.378 1.281 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704563 589513647 /nfs/dbraw/zinc/51/36/47/589513647.db2.gz WIOFOLYBUMKIMO-KBPBESRZSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704563 589513650 /nfs/dbraw/zinc/51/36/50/589513650.db2.gz WIOFOLYBUMKIMO-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704563 589513651 /nfs/dbraw/zinc/51/36/51/589513651.db2.gz WIOFOLYBUMKIMO-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704563 589513653 /nfs/dbraw/zinc/51/36/53/589513653.db2.gz WIOFOLYBUMKIMO-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866704563 589513655 /nfs/dbraw/zinc/51/36/55/589513655.db2.gz WIOFOLYBUMKIMO-KBPBESRZSA-N 3 1 237.391 1.012 20 0 BDADMP CCOCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703627 589513679 /nfs/dbraw/zinc/51/36/79/589513679.db2.gz MWWAEGUNYCVKCP-CYBMUJFWSA-N 2 1 228.380 1.720 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866703973 589513865 /nfs/dbraw/zinc/51/38/65/589513865.db2.gz QTFBXOCBCRLYOE-NWDGAFQWSA-N 2 1 226.364 1.079 20 0 BDADMP C1=CC[C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]2C1 ZINC000866701911 589513977 /nfs/dbraw/zinc/51/39/77/589513977.db2.gz RGVLHKWWNNIOOJ-HZSPNIEDSA-N 2 1 248.370 1.405 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000866703405 589513984 /nfs/dbraw/zinc/51/39/84/589513984.db2.gz MAJZKFMVBNMIJJ-ZDUSSCGKSA-N 2 1 240.391 1.469 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CSC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000866702849 589513989 /nfs/dbraw/zinc/51/39/89/589513989.db2.gz CCBWDFKHMXSPCN-JHJVBQTASA-N 2 1 240.416 1.671 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866717328 589514241 /nfs/dbraw/zinc/51/42/41/589514241.db2.gz BSALKOCBYVYZDK-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866717328 589514242 /nfs/dbraw/zinc/51/42/42/589514242.db2.gz BSALKOCBYVYZDK-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP CC1(C)C[C@H](O)C[N@@H+](CCCCCCC[NH3+])C1 ZINC000866705014 589514652 /nfs/dbraw/zinc/51/46/52/589514652.db2.gz ZGYOIVNMEXWRAE-ZDUSSCGKSA-N 2 1 242.407 1.988 20 0 BDADMP COCCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706714 589514766 /nfs/dbraw/zinc/51/47/66/589514766.db2.gz JYFZOLWOCWKFCA-ZDUSSCGKSA-N 2 1 228.380 1.720 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866723774 589515698 /nfs/dbraw/zinc/51/56/98/589515698.db2.gz IXUHILZSLODDCJ-OLZOCXBDSA-N 2 1 226.364 1.365 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866723774 589515700 /nfs/dbraw/zinc/51/57/00/589515700.db2.gz IXUHILZSLODDCJ-OLZOCXBDSA-N 2 1 226.364 1.365 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC000866724130 589515735 /nfs/dbraw/zinc/51/57/35/589515735.db2.gz INEYSXRDZHVCIA-ZIAGYGMSSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC000866724130 589515736 /nfs/dbraw/zinc/51/57/36/589515736.db2.gz INEYSXRDZHVCIA-ZIAGYGMSSA-N 3 1 237.391 1.202 20 0 BDADMP CC[NH2+]Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871791719 589820277 /nfs/dbraw/zinc/82/02/77/589820277.db2.gz HSGBWVIBUQIHSS-PBINXNQUSA-N 2 1 236.319 1.177 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141872 589882200 /nfs/dbraw/zinc/88/22/00/589882200.db2.gz XJHWUSKGPVEATO-STQMWFEESA-N 2 1 238.375 1.616 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872145060 589884135 /nfs/dbraw/zinc/88/41/35/589884135.db2.gz NQOZBXAAHJPZHH-CYDGBPFRSA-N 2 1 240.391 1.907 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000872146157 589885337 /nfs/dbraw/zinc/88/53/37/589885337.db2.gz HAEYLOKDHHUZQI-CYBMUJFWSA-N 2 1 224.348 1.287 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000872253849 589901659 /nfs/dbraw/zinc/90/16/59/589901659.db2.gz KVJDYYAVXXMNLL-UPJWGTAASA-N 3 1 239.407 1.495 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000873221890 589999415 /nfs/dbraw/zinc/99/94/15/589999415.db2.gz SGFOUOFLESPWNQ-VXGBXAGGSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000873221890 589999417 /nfs/dbraw/zinc/99/94/17/589999417.db2.gz SGFOUOFLESPWNQ-VXGBXAGGSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000873221889 589999478 /nfs/dbraw/zinc/99/94/78/589999478.db2.gz SGFOUOFLESPWNQ-RYUDHWBXSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000873221889 589999480 /nfs/dbraw/zinc/99/94/80/589999480.db2.gz SGFOUOFLESPWNQ-RYUDHWBXSA-N 2 1 228.380 1.453 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H](O)CC(C)(C)C2)CC[NH2+]1 ZINC000873221795 589999491 /nfs/dbraw/zinc/99/94/91/589999491.db2.gz QHHWARBPAOLLGI-FRRDWIJNSA-N 2 1 240.391 1.467 20 0 BDADMP COCCC1([NH2+]Cc2ccncc2)CC[NH2+]CC1 ZINC000873224313 590000577 /nfs/dbraw/zinc/00/05/77/590000577.db2.gz AUDQSCLVLRACKU-UHFFFAOYSA-N 2 1 249.358 1.330 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000873231464 590002732 /nfs/dbraw/zinc/00/27/32/590002732.db2.gz KCCAVNNGJJGOIW-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000873237565 590003873 /nfs/dbraw/zinc/00/38/73/590003873.db2.gz QYXAOSVTMRVCDE-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873237890 590004490 /nfs/dbraw/zinc/00/44/90/590004490.db2.gz VGFLRORFNOOAOK-OLZOCXBDSA-N 3 1 241.423 1.872 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873237891 590004828 /nfs/dbraw/zinc/00/48/28/590004828.db2.gz VGFLRORFNOOAOK-QWHCGFSZSA-N 3 1 241.423 1.872 20 0 BDADMP Fc1cc(C[NH2+]C2CC[NH2+]CC2)ccn1 ZINC000873242721 590006734 /nfs/dbraw/zinc/00/67/34/590006734.db2.gz RMXVPVFLBWGTEQ-UHFFFAOYSA-N 2 1 209.268 1.062 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000873243463 590006947 /nfs/dbraw/zinc/00/69/47/590006947.db2.gz LLKNSWRKZQYJNR-GRYCIOLGSA-N 2 1 228.405 1.860 20 0 BDADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000873250580 590008225 /nfs/dbraw/zinc/00/82/25/590008225.db2.gz RSKUJABWEGXMSN-QPPOZKHWSA-N 2 1 239.407 1.719 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000873281394 590018663 /nfs/dbraw/zinc/01/86/63/590018663.db2.gz IKGCGBPTRGZHCF-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC000873297092 590025273 /nfs/dbraw/zinc/02/52/73/590025273.db2.gz RBZYTERIFSPTSB-HUBLWGQQSA-N 2 1 247.386 1.416 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2OCCO2)C1 ZINC000124562683 590057817 /nfs/dbraw/zinc/05/78/17/590057817.db2.gz UJOLPGIESJWRFN-LBPRGKRZSA-N 2 1 242.363 1.023 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000124562683 590057819 /nfs/dbraw/zinc/05/78/19/590057819.db2.gz UJOLPGIESJWRFN-LBPRGKRZSA-N 2 1 242.363 1.023 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000124562683 590057822 /nfs/dbraw/zinc/05/78/22/590057822.db2.gz UJOLPGIESJWRFN-LBPRGKRZSA-N 2 1 242.363 1.023 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CSC2)CC1(C)C ZINC000877634389 590380317 /nfs/dbraw/zinc/38/03/17/590380317.db2.gz NZUHODVGUFEZCA-VIFPVBQESA-N 2 1 214.378 1.564 20 0 BDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cocn1)CC2 ZINC000877684779 590392222 /nfs/dbraw/zinc/39/22/22/590392222.db2.gz XLSGWZJPBIELNQ-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccon1)CC2 ZINC000877684743 590392228 /nfs/dbraw/zinc/39/22/28/590392228.db2.gz VILQIXMOECBYSN-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP CCC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877742892 590408196 /nfs/dbraw/zinc/40/81/96/590408196.db2.gz SCKPSIMGAVWZIX-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000877742892 590408197 /nfs/dbraw/zinc/40/81/97/590408197.db2.gz SCKPSIMGAVWZIX-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000877742892 590408200 /nfs/dbraw/zinc/40/82/00/590408200.db2.gz SCKPSIMGAVWZIX-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741278 590408957 /nfs/dbraw/zinc/40/89/57/590408957.db2.gz MKAOZVTZYPZFLU-GRYCIOLGSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877741278 590408960 /nfs/dbraw/zinc/40/89/60/590408960.db2.gz MKAOZVTZYPZFLU-GRYCIOLGSA-N 2 1 212.337 1.047 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877741278 590408963 /nfs/dbraw/zinc/40/89/63/590408963.db2.gz MKAOZVTZYPZFLU-GRYCIOLGSA-N 2 1 212.337 1.047 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCOC3)CC[C@@H]21 ZINC000877744037 590411127 /nfs/dbraw/zinc/41/11/27/590411127.db2.gz ZKAJFOMQSRHHMN-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCOC3)CC[C@@H]21 ZINC000877744037 590411129 /nfs/dbraw/zinc/41/11/29/590411129.db2.gz ZKAJFOMQSRHHMN-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCOC3)CC[C@@H]21 ZINC000877744037 590411132 /nfs/dbraw/zinc/41/11/32/590411132.db2.gz ZKAJFOMQSRHHMN-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)CC[C@@H]21 ZINC000877744037 590411133 /nfs/dbraw/zinc/41/11/33/590411133.db2.gz ZKAJFOMQSRHHMN-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCOC3)CC[C@H]21 ZINC000877743302 590411642 /nfs/dbraw/zinc/41/16/42/590411642.db2.gz VGTIWNFRRFHHJO-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCOC3)CC[C@H]21 ZINC000877743302 590411645 /nfs/dbraw/zinc/41/16/45/590411645.db2.gz VGTIWNFRRFHHJO-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCOC3)CC[C@H]21 ZINC000877743302 590411649 /nfs/dbraw/zinc/41/16/49/590411649.db2.gz VGTIWNFRRFHHJO-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)CC[C@H]21 ZINC000877743302 590411651 /nfs/dbraw/zinc/41/16/51/590411651.db2.gz VGTIWNFRRFHHJO-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000878125806 590501171 /nfs/dbraw/zinc/50/11/71/590501171.db2.gz RGZHYLVSHDZPDK-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC1(F)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000879381132 590758136 /nfs/dbraw/zinc/75/81/36/590758136.db2.gz PKROGVRHDPAVKU-GFCCVEGCSA-N 2 1 244.354 1.267 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569962 590805749 /nfs/dbraw/zinc/80/57/49/590805749.db2.gz CSCNMJDTYIBYTB-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569962 590805753 /nfs/dbraw/zinc/80/57/53/590805753.db2.gz CSCNMJDTYIBYTB-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569962 590805756 /nfs/dbraw/zinc/80/57/56/590805756.db2.gz CSCNMJDTYIBYTB-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569962 590805760 /nfs/dbraw/zinc/80/57/60/590805760.db2.gz CSCNMJDTYIBYTB-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000879569164 590806253 /nfs/dbraw/zinc/80/62/53/590806253.db2.gz KQUZEJCLLXDANN-UPJWGTAASA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000879569164 590806256 /nfs/dbraw/zinc/80/62/56/590806256.db2.gz KQUZEJCLLXDANN-UPJWGTAASA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000879569164 590806258 /nfs/dbraw/zinc/80/62/58/590806258.db2.gz KQUZEJCLLXDANN-UPJWGTAASA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCO3)CC[C@H]21 ZINC000879569163 590807324 /nfs/dbraw/zinc/80/73/24/590807324.db2.gz KQUZEJCLLXDANN-JHJVBQTASA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCO3)CC[C@H]21 ZINC000879569163 590807326 /nfs/dbraw/zinc/80/73/26/590807326.db2.gz KQUZEJCLLXDANN-JHJVBQTASA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCO3)CC[C@H]21 ZINC000879569163 590807329 /nfs/dbraw/zinc/80/73/29/590807329.db2.gz KQUZEJCLLXDANN-JHJVBQTASA-N 2 1 224.348 1.191 20 0 BDADMP CSCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879571076 590808393 /nfs/dbraw/zinc/80/83/93/590808393.db2.gz HOCVCBOKJNQUPC-MNOVXSKESA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879571076 590808398 /nfs/dbraw/zinc/80/83/98/590808398.db2.gz HOCVCBOKJNQUPC-MNOVXSKESA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571076 590808405 /nfs/dbraw/zinc/80/84/05/590808405.db2.gz HOCVCBOKJNQUPC-MNOVXSKESA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571076 590808409 /nfs/dbraw/zinc/80/84/09/590808409.db2.gz HOCVCBOKJNQUPC-MNOVXSKESA-N 2 1 214.378 1.375 20 0 BDADMP CCOCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573419 590808923 /nfs/dbraw/zinc/80/89/23/590808923.db2.gz NWVWJHWVMGEIRS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573419 590808926 /nfs/dbraw/zinc/80/89/26/590808926.db2.gz NWVWJHWVMGEIRS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573419 590808931 /nfs/dbraw/zinc/80/89/31/590808931.db2.gz NWVWJHWVMGEIRS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573419 590808934 /nfs/dbraw/zinc/80/89/34/590808934.db2.gz NWVWJHWVMGEIRS-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573417 590809672 /nfs/dbraw/zinc/80/96/72/590809672.db2.gz NWVWJHWVMGEIRS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573417 590809676 /nfs/dbraw/zinc/80/96/76/590809676.db2.gz NWVWJHWVMGEIRS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573417 590809680 /nfs/dbraw/zinc/80/96/80/590809680.db2.gz NWVWJHWVMGEIRS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CCOCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573417 590809683 /nfs/dbraw/zinc/80/96/83/590809683.db2.gz NWVWJHWVMGEIRS-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](C[Si](C)(C)C)CC[C@@H]21 ZINC000879573796 590814327 /nfs/dbraw/zinc/81/43/27/590814327.db2.gz RQVHPTOFXJPRHP-RYUDHWBXSA-N 2 1 226.440 1.890 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000879573796 590814332 /nfs/dbraw/zinc/81/43/32/590814332.db2.gz RQVHPTOFXJPRHP-RYUDHWBXSA-N 2 1 226.440 1.890 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000879573796 590814333 /nfs/dbraw/zinc/81/43/33/590814333.db2.gz RQVHPTOFXJPRHP-RYUDHWBXSA-N 2 1 226.440 1.890 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCO3)CC[C@H]21 ZINC000879579779 590816245 /nfs/dbraw/zinc/81/62/45/590816245.db2.gz AYCMLGQRPYVNOL-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCO3)CC[C@H]21 ZINC000879579779 590816246 /nfs/dbraw/zinc/81/62/46/590816246.db2.gz AYCMLGQRPYVNOL-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCCO3)CC[C@H]21 ZINC000879579779 590816249 /nfs/dbraw/zinc/81/62/49/590816249.db2.gz AYCMLGQRPYVNOL-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)CC[C@H]21 ZINC000879579779 590816252 /nfs/dbraw/zinc/81/62/52/590816252.db2.gz AYCMLGQRPYVNOL-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578951 590818239 /nfs/dbraw/zinc/81/82/39/590818239.db2.gz XIVOOKGLFBTUBB-KGLIPLIRSA-N 2 1 248.374 1.218 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578951 590818243 /nfs/dbraw/zinc/81/82/43/590818243.db2.gz XIVOOKGLFBTUBB-KGLIPLIRSA-N 2 1 248.374 1.218 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCO1 ZINC000879578692 590819157 /nfs/dbraw/zinc/81/91/57/590819157.db2.gz GMMFORGDTAEWGF-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCO1 ZINC000879578692 590819160 /nfs/dbraw/zinc/81/91/60/590819160.db2.gz GMMFORGDTAEWGF-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCO1 ZINC000879578692 590819162 /nfs/dbraw/zinc/81/91/62/590819162.db2.gz GMMFORGDTAEWGF-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCO1 ZINC000879578692 590819164 /nfs/dbraw/zinc/81/91/64/590819164.db2.gz GMMFORGDTAEWGF-XJFOESAGSA-N 2 1 238.375 1.580 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCSC1 ZINC000128243765 590949823 /nfs/dbraw/zinc/94/98/23/590949823.db2.gz NNSQKVOGAOUVLN-LBPRGKRZSA-N 2 1 246.420 1.440 20 0 BDADMP CC1([NH+]2CCC2)CC[NH+](CCn2ccnc2)CC1 ZINC000880473361 591053247 /nfs/dbraw/zinc/05/32/47/591053247.db2.gz CZAVFTMVXCUSBT-UHFFFAOYSA-N 2 1 248.374 1.443 20 0 BDADMP Cc1ncnc(NCC[N@H+](C)C(C)C)c1C ZINC000881903122 591277528 /nfs/dbraw/zinc/27/75/28/591277528.db2.gz DECVZHGILHJTBM-UHFFFAOYSA-N 2 1 222.336 1.846 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000883262724 591599612 /nfs/dbraw/zinc/59/96/12/591599612.db2.gz RRKKEEWEAJXJDP-AULYBMBSSA-N 2 1 249.358 1.662 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@@H](C)C1 ZINC000883269668 591603744 /nfs/dbraw/zinc/60/37/44/591603744.db2.gz RSMXPCCUVOPGBK-XUXIUFHCSA-N 2 1 240.391 1.731 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000883442349 591669861 /nfs/dbraw/zinc/66/98/61/591669861.db2.gz JOJCIDQTLQMDPK-ZJUUUORDSA-N 2 1 239.750 1.950 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459927 591673885 /nfs/dbraw/zinc/67/38/85/591673885.db2.gz KZOHZVDCTFJUKY-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH+](C)C1(C[NH2+]C2CCC([NH3+])CC2)CCCC1 ZINC000131991776 591682748 /nfs/dbraw/zinc/68/27/48/591682748.db2.gz BLURINUDYVJFRO-UHFFFAOYSA-N 3 1 239.407 1.720 20 0 BDADMP C([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000132163713 591691054 /nfs/dbraw/zinc/69/10/54/591691054.db2.gz XVBBPQXPFIYZSE-LBPRGKRZSA-N 2 1 237.391 1.202 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215881 592178132 /nfs/dbraw/zinc/17/81/32/592178132.db2.gz SLNMWNNUTQRBOH-NWDGAFQWSA-N 2 1 248.317 1.030 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215881 592178133 /nfs/dbraw/zinc/17/81/33/592178133.db2.gz SLNMWNNUTQRBOH-NWDGAFQWSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215881 592178135 /nfs/dbraw/zinc/17/81/35/592178135.db2.gz SLNMWNNUTQRBOH-NWDGAFQWSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215881 592178137 /nfs/dbraw/zinc/17/81/37/592178137.db2.gz SLNMWNNUTQRBOH-NWDGAFQWSA-N 2 1 248.317 1.030 20 0 BDADMP COC(=O)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000220373999 592307952 /nfs/dbraw/zinc/30/79/52/592307952.db2.gz AUGNRNKPIVKBJK-GFCCVEGCSA-N 2 1 242.363 1.260 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868081 592375254 /nfs/dbraw/zinc/37/52/54/592375254.db2.gz VHWQPADKYPMKOA-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C(C1CC1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874013 592376238 /nfs/dbraw/zinc/37/62/38/592376238.db2.gz DPCMPNUBKGKWHF-ZDUSSCGKSA-N 2 1 208.349 1.862 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872007 592376858 /nfs/dbraw/zinc/37/68/58/592376858.db2.gz HCZVLEPOAGTLDZ-AWEZNQCLSA-N 2 1 240.391 1.879 20 0 BDADMP C(C1CC1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874012 592377777 /nfs/dbraw/zinc/37/77/77/592377777.db2.gz DPCMPNUBKGKWHF-CYBMUJFWSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCF ZINC000887132557 592449835 /nfs/dbraw/zinc/44/98/35/592449835.db2.gz IHQKSCWXPHBJCB-LBPRGKRZSA-N 2 1 237.322 1.952 20 0 BDADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887351388 592485880 /nfs/dbraw/zinc/48/58/80/592485880.db2.gz NXHGNGNJHWMQAQ-LBPRGKRZSA-N 2 1 238.379 1.242 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887352848 592486519 /nfs/dbraw/zinc/48/65/19/592486519.db2.gz QJRVWTSVXMSSON-JTQLQIEISA-N 2 1 226.368 1.241 20 0 BDADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887361707 592490425 /nfs/dbraw/zinc/49/04/25/592490425.db2.gz HGYWEULPJFPQSU-SECBINFHSA-N 2 1 248.321 1.097 20 0 BDADMP C(CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C[C@@H]1CCC[NH2+]1 ZINC000925704458 634384125 /nfs/dbraw/zinc/38/41/25/634384125.db2.gz GWXVPNWGZKJIND-UQGHGMQMSA-N 2 1 249.402 1.105 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC001578957389 985575880 /nfs/dbraw/zinc/57/58/80/985575880.db2.gz OFBUOCWXYIJMAY-QWRGUYRKSA-N 2 1 202.342 1.232 20 0 BDADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1(F)F ZINC000925707370 634390651 /nfs/dbraw/zinc/39/06/51/634390651.db2.gz IATMYEGCETUCKL-SCZZXKLOSA-N 2 1 218.291 1.762 20 0 BDADMP N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C12CCC2 ZINC000925706591 634391127 /nfs/dbraw/zinc/39/11/27/634391127.db2.gz MZYBUABYGGXULN-KSTCHIGDSA-N 2 1 249.402 1.234 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)O1 ZINC000925706768 634391185 /nfs/dbraw/zinc/39/11/85/634391185.db2.gz GKDBFGNSJMDBMW-IJLUTSLNSA-N 2 1 226.364 1.674 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000310112116 634538494 /nfs/dbraw/zinc/53/84/94/634538494.db2.gz ATLNQEFCEUBUQM-FPMFFAJLSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C12CCC2 ZINC000423372111 634590153 /nfs/dbraw/zinc/59/01/53/634590153.db2.gz HWZGBRNEZHMZRQ-QNWHQSFQSA-N 2 1 238.375 1.674 20 0 BDADMP CC(C)[N@@H+](C)CCNC1CC[NH+](C(C)C)CC1 ZINC000054110733 635388131 /nfs/dbraw/zinc/38/81/31/635388131.db2.gz OBVCDDQFLVSOFV-UHFFFAOYSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925834634 635483208 /nfs/dbraw/zinc/48/32/08/635483208.db2.gz XTMDGDGITLPDPC-REWJHTLYSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000925841841 635507330 /nfs/dbraw/zinc/50/73/30/635507330.db2.gz URMSMMBMYJOAQQ-REWJHTLYSA-N 3 1 237.391 1.106 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000235281173 635572716 /nfs/dbraw/zinc/57/27/16/635572716.db2.gz HZCTXNOLPAMVSO-OLZOCXBDSA-N 2 1 228.380 1.456 20 0 BDADMP CO[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC000893899532 635634470 /nfs/dbraw/zinc/63/44/70/635634470.db2.gz CUMCUJJSPBGXBU-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1CCN(Cn2cnnc2)C[C@H]1n1ccnc1 ZINC000245619701 635646237 /nfs/dbraw/zinc/64/62/37/635646237.db2.gz OMDQQAPOVFWSHX-VXGBXAGGSA-N 2 1 246.318 1.015 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCSC[C@@H]1C ZINC000934297553 631763550 /nfs/dbraw/zinc/76/35/50/631763550.db2.gz HRJWCXBBSVNOKE-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCSC[C@@H]1C ZINC000934297553 631763555 /nfs/dbraw/zinc/76/35/55/631763555.db2.gz HRJWCXBBSVNOKE-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCSC[C@@H]1C ZINC000934297553 631763562 /nfs/dbraw/zinc/76/35/62/631763562.db2.gz HRJWCXBBSVNOKE-RYUDHWBXSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@@H]1C[C@@H](NCCC(C)(C)[NH3+])CC[N@H+]1C ZINC000308969608 631773994 /nfs/dbraw/zinc/77/39/94/631773994.db2.gz ONGUOWSKSYNQKV-MNOVXSKESA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000308969608 631773996 /nfs/dbraw/zinc/77/39/96/631773996.db2.gz ONGUOWSKSYNQKV-MNOVXSKESA-N 3 1 213.369 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CC[N@H+]1C ZINC000308969608 631774003 /nfs/dbraw/zinc/77/40/03/631774003.db2.gz ONGUOWSKSYNQKV-MNOVXSKESA-N 3 1 213.369 1.186 20 0 BDADMP C[N@@H+](CCC1CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000309056140 631832267 /nfs/dbraw/zinc/83/22/67/631832267.db2.gz JZPAZMJOTGREQG-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309060207 631835122 /nfs/dbraw/zinc/83/51/22/631835122.db2.gz YEBYONLSHZEQHI-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309060207 631835124 /nfs/dbraw/zinc/83/51/24/631835124.db2.gz YEBYONLSHZEQHI-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309060177 631835849 /nfs/dbraw/zinc/83/58/49/631835849.db2.gz XIZFDLMKCJJTLR-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000091395093 631959172 /nfs/dbraw/zinc/95/91/72/631959172.db2.gz FNOLZKMISFSQRB-AWEZNQCLSA-N 2 1 241.423 1.922 20 0 BDADMP C[NH+](C)[C@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000091395093 631959175 /nfs/dbraw/zinc/95/91/75/631959175.db2.gz FNOLZKMISFSQRB-AWEZNQCLSA-N 2 1 241.423 1.922 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000309354006 632010678 /nfs/dbraw/zinc/01/06/78/632010678.db2.gz GRECXTMIIZCYQT-ZDUSSCGKSA-N 2 1 226.364 1.033 20 0 BDADMP COCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(C)C ZINC000051919227 632013209 /nfs/dbraw/zinc/01/32/09/632013209.db2.gz AADITROCXIFGGD-CQSZACIVSA-N 2 1 242.407 1.981 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250600427 635699553 /nfs/dbraw/zinc/69/95/53/635699553.db2.gz JWASPWOYHYZZEO-CHWSQXEVSA-N 2 1 224.348 1.611 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000161986228 632478466 /nfs/dbraw/zinc/47/84/66/632478466.db2.gz WAMCJGGJYMBILW-QWRGUYRKSA-N 2 1 220.316 1.490 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250461953 632542968 /nfs/dbraw/zinc/54/29/68/632542968.db2.gz LQJPUJSOSAMYRN-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000253177091 632567823 /nfs/dbraw/zinc/56/78/23/632567823.db2.gz ARBIXILHINXDRB-NWDGAFQWSA-N 2 1 219.332 1.498 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000089150314 632657259 /nfs/dbraw/zinc/65/72/59/632657259.db2.gz JACMSRULYNUOCA-KGLIPLIRSA-N 2 1 239.407 1.579 20 0 BDADMP C[N@@H+](CCn1cccn1)CC1CC[NH+](C)CC1 ZINC000154792262 632843244 /nfs/dbraw/zinc/84/32/44/632843244.db2.gz JRBJLZCMRWEOKA-UHFFFAOYSA-N 2 1 236.363 1.157 20 0 BDADMP C[C@H](C[NH3+])[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000162043281 633018061 /nfs/dbraw/zinc/01/80/61/633018061.db2.gz QUTFVCPDRDLJSV-UIBFTYAWSA-N 2 1 222.376 1.996 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122304289 633205811 /nfs/dbraw/zinc/20/58/11/633205811.db2.gz MUKPWTNRVOGLLA-ZIAGYGMSSA-N 2 1 242.407 1.966 20 0 BDADMP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925507355 633840774 /nfs/dbraw/zinc/84/07/74/633840774.db2.gz XZQZSQPFKYKYAV-QWRGUYRKSA-N 2 1 228.380 1.514 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC2(CCC2)C1 ZINC000309983542 634025679 /nfs/dbraw/zinc/02/56/79/634025679.db2.gz PSJMEIGXRYHQFJ-ZDUSSCGKSA-N 2 1 238.375 1.319 20 0 BDADMP CO[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000309975783 634055212 /nfs/dbraw/zinc/05/52/12/634055212.db2.gz SOFJGCYLESULMO-ODWCKFRGSA-N 2 1 226.364 1.626 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CCSC1 ZINC000925574959 634072843 /nfs/dbraw/zinc/07/28/43/634072843.db2.gz XDECCWMMYGGYRS-MNOVXSKESA-N 2 1 226.389 1.756 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925578543 634079005 /nfs/dbraw/zinc/07/90/05/634079005.db2.gz WVKJGADXRGFXHN-OLZOCXBDSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1noc(CCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000925591951 634105573 /nfs/dbraw/zinc/10/55/73/634105573.db2.gz DXCXECPNPYZDQQ-KOLCDFICSA-N 2 1 238.335 1.041 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000925615659 634158710 /nfs/dbraw/zinc/15/87/10/634158710.db2.gz HHEHGIRMTKRREL-YPMHNXCESA-N 2 1 234.343 1.665 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000925687292 634301706 /nfs/dbraw/zinc/30/17/06/634301706.db2.gz IEPPREMUFPBOBV-QJPTWQEYSA-N 2 1 226.364 1.268 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925689260 634306842 /nfs/dbraw/zinc/30/68/42/634306842.db2.gz CBYFVSKWQPKCED-TUAOUCFPSA-N 2 1 224.348 1.428 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000925691991 634322085 /nfs/dbraw/zinc/32/20/85/634322085.db2.gz NXGSRWIBYKYLNS-ZYHUDNBSSA-N 3 1 225.380 1.234 20 0 BDADMP CC1(C)C[C@@H]([NH2+]C2CC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925691988 634322245 /nfs/dbraw/zinc/32/22/45/634322245.db2.gz NXGSRWIBYKYLNS-PWSUYJOCSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698739 634364446 /nfs/dbraw/zinc/36/44/46/634364446.db2.gz MCCATCNBDCUFAB-MXWKQRLJSA-N 3 1 213.369 1.077 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000258868547 635216388 /nfs/dbraw/zinc/21/63/88/635216388.db2.gz FVVRYFLREMQDFL-UWVGGRQHSA-N 2 1 247.298 1.091 20 0 BDADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925780166 635270526 /nfs/dbraw/zinc/27/05/26/635270526.db2.gz PCLYISGLXFKRQO-NTZNESFSSA-N 2 1 249.358 1.219 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H](O)c2ccco2)CC[N@H+]1C ZINC000221897037 635345296 /nfs/dbraw/zinc/34/52/96/635345296.db2.gz IEEGFGISUBDMLM-GRYCIOLGSA-N 2 1 238.331 1.385 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccco2)CCN1C ZINC000221897037 635345305 /nfs/dbraw/zinc/34/53/05/635345305.db2.gz IEEGFGISUBDMLM-GRYCIOLGSA-N 2 1 238.331 1.385 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccco2)CC[N@@H+]1C ZINC000221897037 635345308 /nfs/dbraw/zinc/34/53/08/635345308.db2.gz IEEGFGISUBDMLM-GRYCIOLGSA-N 2 1 238.331 1.385 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccco2)CC[N@H+]1C ZINC000221897037 635345315 /nfs/dbraw/zinc/34/53/15/635345315.db2.gz IEEGFGISUBDMLM-GRYCIOLGSA-N 2 1 238.331 1.385 20 0 BDADMP c1cc2c(c(C[NH2+]C3CC[NH2+]CC3)n1)CCCC2 ZINC000925806359 635359720 /nfs/dbraw/zinc/35/97/20/635359720.db2.gz PBCGCKINFYJRME-UHFFFAOYSA-N 2 1 245.370 1.802 20 0 BDADMP CCSCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261552017 635497720 /nfs/dbraw/zinc/49/77/20/635497720.db2.gz QXPJHDSOZGSRAK-UHFFFAOYSA-N 2 1 228.405 1.815 20 0 BDADMP CCO[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CC1 ZINC000863548099 636719218 /nfs/dbraw/zinc/71/92/18/636719218.db2.gz USKBZTVAYOGFSN-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CC1 ZINC000863548099 636719224 /nfs/dbraw/zinc/71/92/24/636719224.db2.gz USKBZTVAYOGFSN-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000250782193 636754329 /nfs/dbraw/zinc/75/43/29/636754329.db2.gz DHRCZJPBOFCAJA-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864455910 636762409 /nfs/dbraw/zinc/76/24/09/636762409.db2.gz ATNBRVGVCDYDNS-VWYCJHECSA-N 2 1 226.368 1.239 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(CCO)C2)[C@H](C)C1 ZINC000898010408 636852434 /nfs/dbraw/zinc/85/24/34/636852434.db2.gz GDESALSWIMXMDM-BLYZHGLHSA-N 2 1 240.391 1.467 20 0 BDADMP CCON1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000323098495 636899203 /nfs/dbraw/zinc/89/92/03/636899203.db2.gz BPWVOHGFACYNAS-UHFFFAOYSA-N 2 1 241.379 1.086 20 0 BDADMP C[N@@H+](CC1CCOCC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000111179323 636967717 /nfs/dbraw/zinc/96/77/17/636967717.db2.gz RKYDDMJUJUNAGY-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CCO[C@H](C[NH2+]C1[C@@H](C)CC[C@@H]1C)C[NH+](C)C ZINC000926963441 636974424 /nfs/dbraw/zinc/97/44/24/636974424.db2.gz UFBWXNNGZLVLCD-RWMBFGLXSA-N 2 1 242.407 1.977 20 0 BDADMP CC1(C)COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000042463147 637265051 /nfs/dbraw/zinc/26/50/51/637265051.db2.gz XPUOTKFNIDDTSC-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CC1(C)COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000042463147 637265061 /nfs/dbraw/zinc/26/50/61/637265061.db2.gz XPUOTKFNIDDTSC-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CCC(CC)[N@H+](CCOC)C[C@H]1CCC[NH2+]1 ZINC000042681748 637357016 /nfs/dbraw/zinc/35/70/16/637357016.db2.gz ZXIIQGJUWOGYPV-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CCC(CC)[N@@H+](CCOC)C[C@H]1CCC[NH2+]1 ZINC000042681748 637357049 /nfs/dbraw/zinc/35/70/49/637357049.db2.gz ZXIIQGJUWOGYPV-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437640 637360886 /nfs/dbraw/zinc/36/08/86/637360886.db2.gz KXYBKMPRPAOXQN-RDBSUJKOSA-N 2 1 240.391 1.589 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCCCO)C1CC1 ZINC000903437621 637360089 /nfs/dbraw/zinc/36/00/89/637360089.db2.gz KQXTXXWJQYQOOP-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437640 637360889 /nfs/dbraw/zinc/36/08/89/637360889.db2.gz KXYBKMPRPAOXQN-RDBSUJKOSA-N 2 1 240.391 1.589 20 0 BDADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437639 637360776 /nfs/dbraw/zinc/36/07/76/637360776.db2.gz KXYBKMPRPAOXQN-HZSPNIEDSA-N 2 1 240.391 1.589 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437639 637360782 /nfs/dbraw/zinc/36/07/82/637360782.db2.gz KXYBKMPRPAOXQN-HZSPNIEDSA-N 2 1 240.391 1.589 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903437947 637361939 /nfs/dbraw/zinc/36/19/39/637361939.db2.gz OSLGIUOSJCVSPJ-HZSPNIEDSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+]CC12CCC(CC1)C[N@@H+]2CCOC1CC1 ZINC000903463783 637365038 /nfs/dbraw/zinc/36/50/38/637365038.db2.gz MHTPNPXKDAMXLB-UHFFFAOYSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]CC12CCC(CC1)C[N@H+]2CCOC1CC1 ZINC000903463783 637365042 /nfs/dbraw/zinc/36/50/42/637365042.db2.gz MHTPNPXKDAMXLB-UHFFFAOYSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000903463479 637365097 /nfs/dbraw/zinc/36/50/97/637365097.db2.gz CFICGQJQASYUTF-VOAKCMCISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718508 637377133 /nfs/dbraw/zinc/37/71/33/637377133.db2.gz NZKKHWVNUBKFPV-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)C[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724951 637379603 /nfs/dbraw/zinc/37/96/03/637379603.db2.gz SWIHNUBTRQBHDQ-ZDUSSCGKSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)C ZINC000903721437 637379781 /nfs/dbraw/zinc/37/97/81/637379781.db2.gz AHPATWDKRAZGMH-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722909 637379803 /nfs/dbraw/zinc/37/98/03/637379803.db2.gz FGNFPPBVRZNCIK-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+](CC1CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723021 637379867 /nfs/dbraw/zinc/37/98/67/637379867.db2.gz RYSHRWGNUOZHNC-STQMWFEESA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722907 637380202 /nfs/dbraw/zinc/38/02/02/637380202.db2.gz FGNFPPBVRZNCIK-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727087 637380668 /nfs/dbraw/zinc/38/06/68/637380668.db2.gz QCSWEWKDZCRVBF-GXTWGEPZSA-N 2 1 238.375 1.629 20 0 BDADMP COC1(C[NH2+][C@H]2C[NH2+]CC2(C)C)CCCC1 ZINC000904461921 637407317 /nfs/dbraw/zinc/40/73/17/637407317.db2.gz PRFBUOYBHXHZCL-NSHDSACASA-N 2 1 226.364 1.533 20 0 BDADMP C([NH2+]C1([C@@H]2CCCCO2)CC1)C12CC(C1)C[NH2+]2 ZINC000904443465 637410555 /nfs/dbraw/zinc/41/05/55/637410555.db2.gz KXJZJCVUGCKNRK-CPCZMJQVSA-N 2 1 236.359 1.430 20 0 BDADMP [NH3+]C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000904442667 637411497 /nfs/dbraw/zinc/41/14/97/637411497.db2.gz GINUGGDERUJLRL-STQMWFEESA-N 2 1 216.328 1.871 20 0 BDADMP COCc1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904449076 637414142 /nfs/dbraw/zinc/41/41/42/637414142.db2.gz FTZHDLPAEYHCTL-UHFFFAOYSA-N 2 1 220.316 1.414 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000904448885 637414338 /nfs/dbraw/zinc/41/43/38/637414338.db2.gz DMDHFZDEQZMQBW-UHFFFAOYSA-N 2 1 242.326 1.453 20 0 BDADMP C[C@]12CSC[C@H]1C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000904477748 637427949 /nfs/dbraw/zinc/42/79/49/637427949.db2.gz XLCNBYKMNSXGRG-QBHFIFKDSA-N 2 1 238.400 1.423 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000904477748 637427952 /nfs/dbraw/zinc/42/79/52/637427952.db2.gz XLCNBYKMNSXGRG-QBHFIFKDSA-N 2 1 238.400 1.423 20 0 BDADMP C[C@](O)(C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(F)F ZINC000905058434 637590993 /nfs/dbraw/zinc/59/09/93/637590993.db2.gz GPHXDACETQVGPX-SKDRFNHKSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@]1([NH3+])CCCC[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905324746 637753734 /nfs/dbraw/zinc/75/37/34/637753734.db2.gz QAKKFKTUDVURLJ-GZMMTYOYSA-N 2 1 236.319 1.392 20 0 BDADMP CC(C)[C@H](c1nc(C2([NH3+])CC2)no1)[C@@H](C)[NH3+] ZINC000905326474 637756296 /nfs/dbraw/zinc/75/62/96/637756296.db2.gz DMVBMDHSSDHVLO-SFYZADRCSA-N 2 1 224.308 1.104 20 0 BDADMP [NH3+]C1(c2noc(-c3cccc4c3C[NH2+]C4)n2)CC1 ZINC000905328088 637759748 /nfs/dbraw/zinc/75/97/48/637759748.db2.gz VDRGYLHDSCGGGK-UHFFFAOYSA-N 2 1 242.282 1.288 20 0 BDADMP COc1cccc(C[NH2+]C2CC([NH3+])C2)c1OC ZINC000906507793 638178883 /nfs/dbraw/zinc/17/88/83/638178883.db2.gz CKCQIXFEZMGFIR-UHFFFAOYSA-N 2 1 236.315 1.283 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000906507982 638178974 /nfs/dbraw/zinc/17/89/74/638178974.db2.gz FQNLKVLUNRLFRS-MGCOHNPYSA-N 2 1 212.243 1.544 20 0 BDADMP COc1ccc(C)cc1C[NH2+]C1CC([NH3+])C1 ZINC000906509503 638181776 /nfs/dbraw/zinc/18/17/76/638181776.db2.gz GNYLMXFDFVJDIX-UHFFFAOYSA-N 2 1 220.316 1.583 20 0 BDADMP Cc1cccn2c(C[NH2+][C@H]3C[C@H]([NH3+])C3)cnc12 ZINC000906508772 638181839 /nfs/dbraw/zinc/18/18/39/638181839.db2.gz ZJXZDTMRSHVBNT-XYPYZODXSA-N 2 1 230.315 1.222 20 0 BDADMP COc1ccc(Cl)cc1C[NH2+]C1CC([NH3+])C1 ZINC000906509273 638182607 /nfs/dbraw/zinc/18/26/07/638182607.db2.gz FBASYNVMJKQBFZ-UHFFFAOYSA-N 2 1 240.734 1.928 20 0 BDADMP CCCC[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000906537919 638203081 /nfs/dbraw/zinc/20/30/81/638203081.db2.gz QBIHDMBBXGRBIE-NSHDSACASA-N 2 1 202.342 1.343 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1C ZINC000230309025 638589699 /nfs/dbraw/zinc/58/96/99/638589699.db2.gz HJTMBTJTXOFESQ-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)C[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277739 640128242 /nfs/dbraw/zinc/12/82/42/640128242.db2.gz ODRCNYVNRHUZQL-WUHRBBMRSA-N 2 1 210.365 1.913 20 0 BDADMP CC(C)C[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277739 640128243 /nfs/dbraw/zinc/12/82/43/640128243.db2.gz ODRCNYVNRHUZQL-WUHRBBMRSA-N 2 1 210.365 1.913 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC3CCC3)C[C@H]21 ZINC000931281458 640132523 /nfs/dbraw/zinc/13/25/23/640132523.db2.gz SRQJOIZVJOJXGA-ITGUQSILSA-N 2 1 208.349 1.668 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC3CCC3)C[C@H]21 ZINC000931281458 640132533 /nfs/dbraw/zinc/13/25/33/640132533.db2.gz SRQJOIZVJOJXGA-ITGUQSILSA-N 2 1 208.349 1.668 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]21 ZINC000931281360 640135677 /nfs/dbraw/zinc/13/56/77/640135677.db2.gz RJFBKKSILILOCL-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]21 ZINC000931281360 640135681 /nfs/dbraw/zinc/13/56/81/640135681.db2.gz RJFBKKSILILOCL-MQYQWHSLSA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@H](C)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286143 640136815 /nfs/dbraw/zinc/13/68/15/640136815.db2.gz CGFALYUUJGIEJO-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@H](C)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286143 640136819 /nfs/dbraw/zinc/13/68/19/640136819.db2.gz CGFALYUUJGIEJO-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CN1C[C@]2(C)C[N@H+](CCn3cccn3)C[C@]2(C)C1 ZINC000931309500 640145427 /nfs/dbraw/zinc/14/54/27/640145427.db2.gz YADBQKMNWRZUOS-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP CN1C[C@]2(C)C[N@@H+](CCn3cccn3)C[C@]2(C)C1 ZINC000931309500 640145434 /nfs/dbraw/zinc/14/54/34/640145434.db2.gz YADBQKMNWRZUOS-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](CCn3cccn3)C[C@]2(C)C1 ZINC000931309500 640145442 /nfs/dbraw/zinc/14/54/42/640145442.db2.gz YADBQKMNWRZUOS-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](CCn3cccn3)C[C@]2(C)C1 ZINC000931309500 640145451 /nfs/dbraw/zinc/14/54/51/640145451.db2.gz YADBQKMNWRZUOS-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](CCn3cccn3)C[C@]2(C)C1 ZINC000931309500 640145459 /nfs/dbraw/zinc/14/54/59/640145459.db2.gz YADBQKMNWRZUOS-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](CCn3cccn3)C[C@]2(C)C1 ZINC000931309500 640145469 /nfs/dbraw/zinc/14/54/69/640145469.db2.gz YADBQKMNWRZUOS-OKILXGFUSA-N 2 1 248.374 1.157 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](C[C@H]2CCCO2)CC1 ZINC000931347793 640164810 /nfs/dbraw/zinc/16/48/10/640164810.db2.gz AJRPSHBWULJXJQ-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC000931428917 640196827 /nfs/dbraw/zinc/19/68/27/640196827.db2.gz CDGOYOVWFMVFHU-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC000931428917 640196835 /nfs/dbraw/zinc/19/68/35/640196835.db2.gz CDGOYOVWFMVFHU-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC000931428917 640196837 /nfs/dbraw/zinc/19/68/37/640196837.db2.gz CDGOYOVWFMVFHU-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cncc(F)c3)C[C@@H]2C1 ZINC000931438375 640201923 /nfs/dbraw/zinc/20/19/23/640201923.db2.gz XDRYQKZOPDPQCL-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cncc(F)c3)C[C@@H]2C1 ZINC000931438375 640201926 /nfs/dbraw/zinc/20/19/26/640201926.db2.gz XDRYQKZOPDPQCL-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cncc(F)c3)C[C@@H]2C1 ZINC000931438375 640201927 /nfs/dbraw/zinc/20/19/27/640201927.db2.gz XDRYQKZOPDPQCL-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cncc(F)c3)C[C@@H]2C1 ZINC000931438375 640201929 /nfs/dbraw/zinc/20/19/29/640201929.db2.gz XDRYQKZOPDPQCL-OLZOCXBDSA-N 2 1 249.333 1.604 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435411 640202318 /nfs/dbraw/zinc/20/23/18/640202318.db2.gz ARDIZYVSNMHMLU-NWDGAFQWSA-N 2 1 249.358 1.621 20 0 BDADMP CCc1nocc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435411 640202320 /nfs/dbraw/zinc/20/23/20/640202320.db2.gz ARDIZYVSNMHMLU-NWDGAFQWSA-N 2 1 249.358 1.621 20 0 BDADMP CCc1nocc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435411 640202324 /nfs/dbraw/zinc/20/23/24/640202324.db2.gz ARDIZYVSNMHMLU-NWDGAFQWSA-N 2 1 249.358 1.621 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931441738 640206308 /nfs/dbraw/zinc/20/63/08/640206308.db2.gz OHDSLGGOUIWCGV-OCCSQVGLSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1nn(C)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931441738 640206314 /nfs/dbraw/zinc/20/63/14/640206314.db2.gz OHDSLGGOUIWCGV-OCCSQVGLSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1nn(C)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931441738 640206316 /nfs/dbraw/zinc/20/63/16/640206316.db2.gz OHDSLGGOUIWCGV-OCCSQVGLSA-N 2 1 248.374 1.112 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2C1 ZINC000931442194 640207800 /nfs/dbraw/zinc/20/78/00/640207800.db2.gz XMNDHUYIXDMUHQ-MNOVXSKESA-N 2 1 237.372 1.527 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2C1 ZINC000931442194 640207807 /nfs/dbraw/zinc/20/78/07/640207807.db2.gz XMNDHUYIXDMUHQ-MNOVXSKESA-N 2 1 237.372 1.527 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2C1 ZINC000931442194 640207813 /nfs/dbraw/zinc/20/78/13/640207813.db2.gz XMNDHUYIXDMUHQ-MNOVXSKESA-N 2 1 237.372 1.527 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2C1 ZINC000931442194 640207820 /nfs/dbraw/zinc/20/78/20/640207820.db2.gz XMNDHUYIXDMUHQ-MNOVXSKESA-N 2 1 237.372 1.527 20 0 BDADMP Nc1cc[nH+]c2c1C[N@H+](CC1CC=CC1)CC2 ZINC000931515210 640241339 /nfs/dbraw/zinc/24/13/39/640241339.db2.gz BAIILMSJLOXHLO-UHFFFAOYSA-N 2 1 229.327 1.988 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](CC1CC=CC1)CC2 ZINC000931515210 640241344 /nfs/dbraw/zinc/24/13/44/640241344.db2.gz BAIILMSJLOXHLO-UHFFFAOYSA-N 2 1 229.327 1.988 20 0 BDADMP C[C@H](C1CC1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515219 640242079 /nfs/dbraw/zinc/24/20/79/640242079.db2.gz BGOSZHSMBMBNHX-SECBINFHSA-N 2 1 217.316 1.820 20 0 BDADMP C[C@H](C1CC1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515219 640242084 /nfs/dbraw/zinc/24/20/84/640242084.db2.gz BGOSZHSMBMBNHX-SECBINFHSA-N 2 1 217.316 1.820 20 0 BDADMP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1CCCOC1)CC2 ZINC000931514694 640243330 /nfs/dbraw/zinc/24/33/30/640243330.db2.gz XBDRRMBEXQCZEG-NSHDSACASA-N 2 1 247.342 1.449 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1CCCOC1)CC2 ZINC000931514694 640243334 /nfs/dbraw/zinc/24/33/34/640243334.db2.gz XBDRRMBEXQCZEG-NSHDSACASA-N 2 1 247.342 1.449 20 0 BDADMP Nc1cc[nH+]c2c1C[N@H+](CC1CCC1)CC2 ZINC000931512837 640243815 /nfs/dbraw/zinc/24/38/15/640243815.db2.gz OHFHXZFIPBXJDH-UHFFFAOYSA-N 2 1 217.316 1.822 20 0 BDADMP Nc1cc[nH+]c2c1C[N@@H+](CC1CCC1)CC2 ZINC000931512837 640243822 /nfs/dbraw/zinc/24/38/22/640243822.db2.gz OHFHXZFIPBXJDH-UHFFFAOYSA-N 2 1 217.316 1.822 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2CC[NH+]1CCCC1 ZINC000931622062 640292571 /nfs/dbraw/zinc/29/25/71/640292571.db2.gz ODOPUORFFQVQME-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704086 640327675 /nfs/dbraw/zinc/32/76/75/640327675.db2.gz PPPFNVPPRRZYKS-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717859 640336611 /nfs/dbraw/zinc/33/66/11/640336611.db2.gz DYTLSECSQDBEBE-SYQHCUMBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000932346143 640487568 /nfs/dbraw/zinc/48/75/68/640487568.db2.gz FUKJKCGCHIXKHW-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000932346143 640487569 /nfs/dbraw/zinc/48/75/69/640487569.db2.gz FUKJKCGCHIXKHW-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000932346143 640487578 /nfs/dbraw/zinc/48/75/78/640487578.db2.gz FUKJKCGCHIXKHW-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C)CC1 ZINC000223937858 640593997 /nfs/dbraw/zinc/59/39/97/640593997.db2.gz WXOZIUQETQKEPM-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224882382 640646394 /nfs/dbraw/zinc/64/63/94/640646394.db2.gz IAMRDIPSTPLJLD-AEGPPILISA-N 2 1 248.370 1.779 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCCCO ZINC000226429157 640764369 /nfs/dbraw/zinc/76/43/69/640764369.db2.gz KKPCPDQLUWTGFH-LBPRGKRZSA-N 2 1 214.353 1.223 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732551 640752798 /nfs/dbraw/zinc/75/27/98/640752798.db2.gz ROSFBMQIGDHSGD-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP COCCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732551 640752805 /nfs/dbraw/zinc/75/28/05/640752805.db2.gz ROSFBMQIGDHSGD-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP COCCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732551 640752809 /nfs/dbraw/zinc/75/28/09/640752809.db2.gz ROSFBMQIGDHSGD-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734843 640756711 /nfs/dbraw/zinc/75/67/11/640756711.db2.gz SCQPXAGFTVPNRL-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734843 640756717 /nfs/dbraw/zinc/75/67/17/640756717.db2.gz SCQPXAGFTVPNRL-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734843 640756726 /nfs/dbraw/zinc/75/67/26/640756726.db2.gz SCQPXAGFTVPNRL-YIYPIFLZSA-N 2 1 238.375 1.295 20 0 BDADMP CC(C)COCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732909 640759297 /nfs/dbraw/zinc/75/92/97/640759297.db2.gz WGXFZTBIIAGDRI-UONOGXRCSA-N 2 1 240.391 1.543 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732909 640759302 /nfs/dbraw/zinc/75/93/02/640759302.db2.gz WGXFZTBIIAGDRI-UONOGXRCSA-N 2 1 240.391 1.543 20 0 BDADMP CC(C)COCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732909 640759308 /nfs/dbraw/zinc/75/93/08/640759308.db2.gz WGXFZTBIIAGDRI-UONOGXRCSA-N 2 1 240.391 1.543 20 0 BDADMP CC(C)COCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732909 640759312 /nfs/dbraw/zinc/75/93/12/640759312.db2.gz WGXFZTBIIAGDRI-UONOGXRCSA-N 2 1 240.391 1.543 20 0 BDADMP COCC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740389 640759561 /nfs/dbraw/zinc/75/95/61/640759561.db2.gz RYVONAJUBZNIPG-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740389 640759564 /nfs/dbraw/zinc/75/95/64/640759564.db2.gz RYVONAJUBZNIPG-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740389 640759567 /nfs/dbraw/zinc/75/95/67/640759567.db2.gz RYVONAJUBZNIPG-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP COCC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740389 640759570 /nfs/dbraw/zinc/75/95/70/640759570.db2.gz RYVONAJUBZNIPG-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734103 640760033 /nfs/dbraw/zinc/76/00/33/640760033.db2.gz LOTAKYIYZDWTOJ-MROQNXINSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734103 640760036 /nfs/dbraw/zinc/76/00/36/640760036.db2.gz LOTAKYIYZDWTOJ-MROQNXINSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734103 640760040 /nfs/dbraw/zinc/76/00/40/640760040.db2.gz LOTAKYIYZDWTOJ-MROQNXINSA-N 2 1 208.349 1.526 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCCCCO ZINC000226431518 640763954 /nfs/dbraw/zinc/76/39/54/640763954.db2.gz UBDIPRMUXWILLS-ZDUSSCGKSA-N 2 1 230.396 1.844 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCCCO ZINC000226429157 640764366 /nfs/dbraw/zinc/76/43/66/640764366.db2.gz KKPCPDQLUWTGFH-LBPRGKRZSA-N 2 1 214.353 1.223 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000228328339 640870359 /nfs/dbraw/zinc/87/03/59/640870359.db2.gz PGVGNZWAQOFGLU-CMPLNLGQSA-N 2 1 236.363 1.288 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000228645263 640888220 /nfs/dbraw/zinc/88/82/20/640888220.db2.gz POLAYCVQDKPPDL-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000229256078 640939633 /nfs/dbraw/zinc/93/96/33/640939633.db2.gz BCXZMMRTXQSAJQ-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP COCCC[N@@H+](C)CCCCCC[NH3+] ZINC000062036288 641017081 /nfs/dbraw/zinc/01/70/81/641017081.db2.gz HISXZWOLXGGVSX-UHFFFAOYSA-N 2 1 202.342 1.474 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000172196860 641047617 /nfs/dbraw/zinc/04/76/17/641047617.db2.gz FLYRLBFZVVOOMM-NSHDSACASA-N 2 1 214.429 1.747 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@H+](C)CCn1cc[nH+]c1C ZINC000934111848 641078625 /nfs/dbraw/zinc/07/86/25/641078625.db2.gz PRZBQPWTCUAJHX-VXGBXAGGSA-N 2 1 223.320 1.301 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCn1cc[nH+]c1C ZINC000934111848 641078630 /nfs/dbraw/zinc/07/86/30/641078630.db2.gz PRZBQPWTCUAJHX-VXGBXAGGSA-N 2 1 223.320 1.301 20 0 BDADMP Cn1nccc1CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000230745608 641090734 /nfs/dbraw/zinc/09/07/34/641090734.db2.gz YGJAZDXFMWMPLE-UHFFFAOYSA-N 2 1 236.363 1.164 20 0 BDADMP C[N@@H+](CCc1cccnc1)C1CC[NH2+]CC1 ZINC000063223625 641144763 /nfs/dbraw/zinc/14/47/63/641144763.db2.gz GQZDAHRXEBMGLV-UHFFFAOYSA-N 2 1 219.332 1.308 20 0 BDADMP OC1CC[NH+](CCC[NH2+]C2CCCC2)CC1 ZINC000238135944 641152592 /nfs/dbraw/zinc/15/25/92/641152592.db2.gz AYICPRWVLLYKGM-UHFFFAOYSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@@H+](C[C@H](O)CC1CCCC1)C1CC[NH2+]CC1 ZINC000232148350 641248362 /nfs/dbraw/zinc/24/83/62/641248362.db2.gz HQUZMZKIFNRPOP-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000232148740 641250014 /nfs/dbraw/zinc/25/00/14/641250014.db2.gz OOEPBSDNVZEFCU-CYBMUJFWSA-N 2 1 228.380 1.469 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929695412 641402096 /nfs/dbraw/zinc/40/20/96/641402096.db2.gz GDJHPRSMYIERGH-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000042466608 641551444 /nfs/dbraw/zinc/55/14/44/641551444.db2.gz LHMMVDOTRAMLRO-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC=CO2)C1 ZINC000190204971 641850674 /nfs/dbraw/zinc/85/06/74/641850674.db2.gz QKKXXJHZRMAVNK-KBPBESRZSA-N 2 1 238.375 1.953 20 0 BDADMP CCC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000190266427 641854087 /nfs/dbraw/zinc/85/40/87/641854087.db2.gz LNNIYXJAKHJWMP-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP CCC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000190266427 641854089 /nfs/dbraw/zinc/85/40/89/641854089.db2.gz LNNIYXJAKHJWMP-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP CCC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000190266427 641854079 /nfs/dbraw/zinc/85/40/79/641854079.db2.gz LNNIYXJAKHJWMP-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP CCC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000190266427 641854082 /nfs/dbraw/zinc/85/40/82/641854082.db2.gz LNNIYXJAKHJWMP-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)OCCO2)[C@H](C)C1 ZINC000179567359 642728811 /nfs/dbraw/zinc/72/88/11/642728811.db2.gz WNTLGBRHQVUBCP-VXGBXAGGSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)OCCO2)[C@H](C)C1 ZINC000179567359 642728818 /nfs/dbraw/zinc/72/88/18/642728818.db2.gz WNTLGBRHQVUBCP-VXGBXAGGSA-N 2 1 242.363 1.069 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH3+])Cc2ccccc21 ZINC000082791065 643382879 /nfs/dbraw/zinc/38/28/79/643382879.db2.gz KUENAXTYIDPLEB-LLVKDONJSA-N 2 1 204.317 1.955 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCOCC(F)(F)F ZINC000082595058 643514472 /nfs/dbraw/zinc/51/44/72/643514472.db2.gz HRCJFJOXFOVPLH-QMMMGPOBSA-N 2 1 228.258 1.234 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000083527340 643584715 /nfs/dbraw/zinc/58/47/15/643584715.db2.gz GWISWGPXPDECLT-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1CC[C@@H]1CCCO1 ZINC000083527340 643584725 /nfs/dbraw/zinc/58/47/25/643584725.db2.gz GWISWGPXPDECLT-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000084216419 643650254 /nfs/dbraw/zinc/65/02/54/643650254.db2.gz QPSGCSLYFZEQBZ-MWLCHTKSSA-N 2 1 208.309 1.017 20 0 BDADMP CCC(CC)[NH2+]CCNc1cc(C)[nH+]c(C)n1 ZINC000624356193 643653284 /nfs/dbraw/zinc/65/32/84/643653284.db2.gz RDYHMLWOFIGRLE-UHFFFAOYSA-N 2 1 236.363 1.705 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC(C)(C)O1 ZINC000085015534 643679183 /nfs/dbraw/zinc/67/91/83/643679183.db2.gz MMTBZWVAJLWWRJ-UTUOFQBUSA-N 2 1 226.364 1.613 20 0 BDADMP CCO[C@@H](C[NH2+]CC(C)(C)COC)C[NH+](C)C ZINC000922754028 644086218 /nfs/dbraw/zinc/08/62/18/644086218.db2.gz LMMBIADAVSQKOA-LBPRGKRZSA-N 2 1 246.395 1.215 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@H](C)CC)C[NH+](C)C ZINC000922758041 644087219 /nfs/dbraw/zinc/08/72/19/644087219.db2.gz OZKGTPNEWRQTLX-NEPJUHHUSA-N 2 1 216.369 1.589 20 0 BDADMP CCO[C@H](C[NH2+]C[C@@H]1CCSC1)C[NH+](C)C ZINC000922754917 644088291 /nfs/dbraw/zinc/08/82/91/644088291.db2.gz VKDQJAFSHMDJCV-NWDGAFQWSA-N 2 1 246.420 1.296 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CC(C)(C)C1 ZINC000080200312 644238821 /nfs/dbraw/zinc/23/88/21/644238821.db2.gz GOBPLNCMYZWZTJ-XQQFMLRXSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000923280256 644312145 /nfs/dbraw/zinc/31/21/45/644312145.db2.gz FZHUCMCOPMAUFN-OCCSQVGLSA-N 2 1 234.343 1.309 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923288168 644320058 /nfs/dbraw/zinc/32/00/58/644320058.db2.gz HYRVTMWCNSAPAA-IHRRRGAJSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923288168 644320062 /nfs/dbraw/zinc/32/00/62/644320062.db2.gz HYRVTMWCNSAPAA-IHRRRGAJSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923288104 644320895 /nfs/dbraw/zinc/32/08/95/644320895.db2.gz HKMYJBJAMILVAN-MJBXVCDLSA-N 2 1 242.407 1.843 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000923290109 644324302 /nfs/dbraw/zinc/32/43/02/644324302.db2.gz BOYZUKNUBWISJG-CYBMUJFWSA-N 2 1 222.332 1.309 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923298414 644337005 /nfs/dbraw/zinc/33/70/05/644337005.db2.gz BSVPJNKUONQCGZ-RYUDHWBXSA-N 2 1 224.348 1.097 20 0 BDADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923301854 644338691 /nfs/dbraw/zinc/33/86/91/644338691.db2.gz ZDUMMGYUUIIVES-LLVKDONJSA-N 2 1 212.337 1.095 20 0 BDADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923317888 644343180 /nfs/dbraw/zinc/34/31/80/644343180.db2.gz XJGHZZCBGBHOAT-GFCCVEGCSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000923317563 644343433 /nfs/dbraw/zinc/34/34/33/644343433.db2.gz FIQRQQHFHIREFT-GXTWGEPZSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000923317563 644343437 /nfs/dbraw/zinc/34/34/37/644343437.db2.gz FIQRQQHFHIREFT-GXTWGEPZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](CC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316069 644344030 /nfs/dbraw/zinc/34/40/30/644344030.db2.gz PVCKMSFNMRWJJV-GFCCVEGCSA-N 2 1 224.348 1.097 20 0 BDADMP c1ncn([C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923311814 644346577 /nfs/dbraw/zinc/34/65/77/644346577.db2.gz XXWULNQWLHJFLT-CYBMUJFWSA-N 2 1 249.362 1.057 20 0 BDADMP c1ncn([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923311814 644346580 /nfs/dbraw/zinc/34/65/80/644346580.db2.gz XXWULNQWLHJFLT-CYBMUJFWSA-N 2 1 249.362 1.057 20 0 BDADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)C(C)C ZINC000923308936 644347009 /nfs/dbraw/zinc/34/70/09/644347009.db2.gz KCRDINUAJKDRQY-STQMWFEESA-N 2 1 240.391 1.731 20 0 BDADMP CCC[N@@H+](C[C@@H](O)CSC)C1CC[NH2+]CC1 ZINC000923327899 644347652 /nfs/dbraw/zinc/34/76/52/644347652.db2.gz SWTGUUFVQGNHQM-GFCCVEGCSA-N 2 1 246.420 1.174 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000923330775 644349855 /nfs/dbraw/zinc/34/98/55/644349855.db2.gz IOCNDTFWJVXEMD-NWANDNLSSA-N 2 1 248.370 1.698 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923327503 644352011 /nfs/dbraw/zinc/35/20/11/644352011.db2.gz UEGNCLDZIYNGBG-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923357471 644365546 /nfs/dbraw/zinc/36/55/46/644365546.db2.gz OBHFNQRVTBZYBV-CHWSQXEVSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923357471 644365552 /nfs/dbraw/zinc/36/55/52/644365552.db2.gz OBHFNQRVTBZYBV-CHWSQXEVSA-N 2 1 228.380 1.453 20 0 BDADMP CCOCCOCC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923346450 644365853 /nfs/dbraw/zinc/36/58/53/644365853.db2.gz XZPOOYSZNRGUBX-CHWSQXEVSA-N 2 1 244.379 1.099 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923355808 644372018 /nfs/dbraw/zinc/37/20/18/644372018.db2.gz OGIAGOAKHYNXBF-LSDHHAIUSA-N 2 1 248.370 1.261 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000923355221 644373275 /nfs/dbraw/zinc/37/32/75/644373275.db2.gz HVGVPKSIQWIMPU-HUUCEWRRSA-N 2 1 248.370 1.699 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923376829 644391246 /nfs/dbraw/zinc/39/12/46/644391246.db2.gz BBAXFUVBUYAVQP-AGUYFDCRSA-N 3 1 239.407 1.448 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923386192 644398410 /nfs/dbraw/zinc/39/84/10/644398410.db2.gz HDWDPRGEBRGAFA-JSGCOSHPSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923386192 644398416 /nfs/dbraw/zinc/39/84/16/644398416.db2.gz HDWDPRGEBRGAFA-JSGCOSHPSA-N 3 1 237.391 1.189 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923397581 644404065 /nfs/dbraw/zinc/40/40/65/644404065.db2.gz CYHJGZYOYWUREK-OLZOCXBDSA-N 2 1 240.391 1.658 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923412203 644413960 /nfs/dbraw/zinc/41/39/60/644413960.db2.gz PZJAPHYWROQKOE-KBPBESRZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000923412203 644413965 /nfs/dbraw/zinc/41/39/65/644413965.db2.gz PZJAPHYWROQKOE-KBPBESRZSA-N 2 1 242.407 1.987 20 0 BDADMP CN(CCC[NH2+]C1CC1)C[C@@H]1CCC[N@H+]1C ZINC000086188412 644458094 /nfs/dbraw/zinc/45/80/94/644458094.db2.gz PURIFGFJZPPQEL-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923490076 644464356 /nfs/dbraw/zinc/46/43/56/644464356.db2.gz AQFHNNUCTBZRNV-VHDGCEQUSA-N 2 1 248.370 1.637 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490679 644465018 /nfs/dbraw/zinc/46/50/18/644465018.db2.gz OQKOZSFCUVXNQP-NWDGAFQWSA-N 2 1 242.363 1.246 20 0 BDADMP CCC(F)(F)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488382 644465783 /nfs/dbraw/zinc/46/57/83/644465783.db2.gz DWFZAWSMWHOTQE-ZJUUUORDSA-N 2 1 220.307 1.948 20 0 BDADMP CCC(F)(F)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488382 644465786 /nfs/dbraw/zinc/46/57/86/644465786.db2.gz DWFZAWSMWHOTQE-ZJUUUORDSA-N 2 1 220.307 1.948 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488446 644465820 /nfs/dbraw/zinc/46/58/20/644465820.db2.gz FVWKPQROCNVFCO-QWHCGFSZSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1nnsc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488386 644465977 /nfs/dbraw/zinc/46/59/77/644465977.db2.gz DYOABZJFPNGBPJ-WPRPVWTQSA-N 2 1 240.376 1.263 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1C[NH3+] ZINC000923489850 644466019 /nfs/dbraw/zinc/46/60/19/644466019.db2.gz MECNTGHIISYAEK-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)no1 ZINC000923490399 644466332 /nfs/dbraw/zinc/46/63/32/644466332.db2.gz NKBMFWMNJXQCKJ-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccn1 ZINC000923491907 644467038 /nfs/dbraw/zinc/46/70/38/644467038.db2.gz VBKLJTVCZSWWPG-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000923492925 644467656 /nfs/dbraw/zinc/46/76/56/644467656.db2.gz ZMHBXMOQILXSKJ-ZJUUUORDSA-N 2 1 239.319 1.100 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492301 644468147 /nfs/dbraw/zinc/46/81/47/644468147.db2.gz BMMOFGAZBAJHCY-WOPDTQHZSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1C[NH3+] ZINC000923497107 644470138 /nfs/dbraw/zinc/47/01/38/644470138.db2.gz KYXKCZDABBRVBD-YPMHNXCESA-N 2 1 219.332 1.498 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923502023 644470305 /nfs/dbraw/zinc/47/03/05/644470305.db2.gz WBJOGBJGEHZXCE-JSGCOSHPSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493719 644470610 /nfs/dbraw/zinc/47/06/10/644470610.db2.gz UMCLZBBCHLTLFW-WDEREUQCSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493719 644470612 /nfs/dbraw/zinc/47/06/12/644470612.db2.gz UMCLZBBCHLTLFW-WDEREUQCSA-N 2 1 222.336 1.135 20 0 BDADMP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500656 644472259 /nfs/dbraw/zinc/47/22/59/644472259.db2.gz WMEUAVJCCBXQQI-GRYCIOLGSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC000923497413 644472872 /nfs/dbraw/zinc/47/28/72/644472872.db2.gz DYXPKGODUVSPJD-KGLIPLIRSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccnc2)CC[C@H]1C[NH3+] ZINC000923500257 644472904 /nfs/dbraw/zinc/47/29/04/644472904.db2.gz MWNHBKZQTJTHKP-OCCSQVGLSA-N 2 1 233.359 1.541 20 0 BDADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCCCO1 ZINC000923515777 644481439 /nfs/dbraw/zinc/48/14/39/644481439.db2.gz LXZHEZHHVUGRIK-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)on1 ZINC000923522322 644488257 /nfs/dbraw/zinc/48/82/57/644488257.db2.gz SKBAXZMGAXXCON-WDEREUQCSA-N 2 1 221.304 1.024 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)on1 ZINC000923522322 644488260 /nfs/dbraw/zinc/48/82/60/644488260.db2.gz SKBAXZMGAXXCON-WDEREUQCSA-N 2 1 221.304 1.024 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@H]2CC2CC2)C1 ZINC000923555195 644497597 /nfs/dbraw/zinc/49/75/97/644497597.db2.gz QUQNCXLRXZZKDC-BFHYXJOUSA-N 2 1 238.375 1.615 20 0 BDADMP CCc1cc(N[C@H]2CCC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000089106198 644534413 /nfs/dbraw/zinc/53/44/13/644534413.db2.gz VDYVVMOLUYYSTR-PWSUYJOCSA-N 2 1 234.347 1.887 20 0 BDADMP C[N@@H+](CC(=O)NC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091847516 644641817 /nfs/dbraw/zinc/64/18/17/644641817.db2.gz VIJLTMZTLAYUJU-UHFFFAOYSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N(C)C ZINC000093452696 644691693 /nfs/dbraw/zinc/69/16/93/644691693.db2.gz XRJGGBGMEBIIGQ-YIYPIFLZSA-N 2 1 239.407 1.447 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000250646975 644773120 /nfs/dbraw/zinc/77/31/20/644773120.db2.gz VOVQYJIHGROAPL-XDQVBPFNSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000250646975 644773128 /nfs/dbraw/zinc/77/31/28/644773128.db2.gz VOVQYJIHGROAPL-XDQVBPFNSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251455455 644804589 /nfs/dbraw/zinc/80/45/89/644804589.db2.gz UFCQMJACQQTLNM-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]CCC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000414756173 644870826 /nfs/dbraw/zinc/87/08/26/644870826.db2.gz IUQSTFSTEDWSGY-HNNXBMFYSA-N 2 1 248.370 1.361 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000414756173 644870828 /nfs/dbraw/zinc/87/08/28/644870828.db2.gz IUQSTFSTEDWSGY-HNNXBMFYSA-N 2 1 248.370 1.361 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000252822061 644911565 /nfs/dbraw/zinc/91/15/65/644911565.db2.gz AFGZYFQAJDRWLK-NWDGAFQWSA-N 2 1 234.343 1.832 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC000252822061 644911567 /nfs/dbraw/zinc/91/15/67/644911567.db2.gz AFGZYFQAJDRWLK-NWDGAFQWSA-N 2 1 234.343 1.832 20 0 BDADMP Cc1ccc(OCC[NH2+]CC2([NH3+])CCC2)cc1 ZINC000843368030 645285067 /nfs/dbraw/zinc/28/50/67/645285067.db2.gz LOQUOKNPEGZQDT-UHFFFAOYSA-N 2 1 234.343 1.845 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000843389286 645289303 /nfs/dbraw/zinc/28/93/03/645289303.db2.gz ZYXNWTSAZHVUSV-GFCCVEGCSA-N 2 1 219.332 1.480 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000844922744 645347564 /nfs/dbraw/zinc/34/75/64/645347564.db2.gz DVVSTNBFYLFNDE-NSHDSACASA-N 2 1 244.342 1.980 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487227 645463760 /nfs/dbraw/zinc/46/37/60/645463760.db2.gz LYJLVFDMTFCKSB-NDBYEHHHSA-N 2 1 237.391 1.057 20 0 BDADMP CN1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487227 645463765 /nfs/dbraw/zinc/46/37/65/645463765.db2.gz LYJLVFDMTFCKSB-NDBYEHHHSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCOC(F)F)CC[N@@H+]1C ZINC000851796641 645467718 /nfs/dbraw/zinc/46/77/18/645467718.db2.gz IABZCVHJLMTXNJ-ZJUUUORDSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCOC(F)F)CC[N@H+]1C ZINC000851796641 645467723 /nfs/dbraw/zinc/46/77/23/645467723.db2.gz IABZCVHJLMTXNJ-ZJUUUORDSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCOC(F)F)CC[NH+]1C ZINC000851796641 645467729 /nfs/dbraw/zinc/46/77/29/645467729.db2.gz IABZCVHJLMTXNJ-ZJUUUORDSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOC(F)F)CC[NH+]1C ZINC000851796641 645467735 /nfs/dbraw/zinc/46/77/35/645467735.db2.gz IABZCVHJLMTXNJ-ZJUUUORDSA-N 2 1 236.306 1.640 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C(C)C)C1CC1)C[NH+](C)C ZINC000926965723 645502177 /nfs/dbraw/zinc/50/21/77/645502177.db2.gz SXTCPVKWBXFVAF-UONOGXRCSA-N 2 1 242.407 1.977 20 0 BDADMP C([C@@H]1C[C@@]12CCOC2)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000886839624 645891221 /nfs/dbraw/zinc/89/12/21/645891221.db2.gz IRASIUFKHFTBCF-QWHCGFSZSA-N 2 1 236.359 1.241 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000886839625 645891710 /nfs/dbraw/zinc/89/17/10/645891710.db2.gz IRASIUFKHFTBCF-STQMWFEESA-N 2 1 236.359 1.241 20 0 BDADMP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](C)CC1 ZINC000924576823 646072474 /nfs/dbraw/zinc/07/24/74/646072474.db2.gz YGTZQYWLYPJZLO-GXTWGEPZSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000924574918 646072848 /nfs/dbraw/zinc/07/28/48/646072848.db2.gz HJSHFRWDJIHQSC-PJXYFTJBSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000924646262 646084328 /nfs/dbraw/zinc/08/43/28/646084328.db2.gz DLJAONOMSQBHLR-NWDGAFQWSA-N 2 1 240.391 1.467 20 0 BDADMP CCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CCC ZINC000929412085 646112260 /nfs/dbraw/zinc/11/22/60/646112260.db2.gz MACNGWAFBXKFKH-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CCC ZINC000929412085 646112265 /nfs/dbraw/zinc/11/22/65/646112265.db2.gz MACNGWAFBXKFKH-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CCC ZINC000929412085 646112274 /nfs/dbraw/zinc/11/22/74/646112274.db2.gz MACNGWAFBXKFKH-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C(C)C ZINC000924908456 646131358 /nfs/dbraw/zinc/13/13/58/646131358.db2.gz HEJONLRFVXCSKW-WDNDVIMCSA-N 2 1 242.407 1.977 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C(C)C ZINC000924908456 646131365 /nfs/dbraw/zinc/13/13/65/646131365.db2.gz HEJONLRFVXCSKW-WDNDVIMCSA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)CO ZINC000924917374 646132887 /nfs/dbraw/zinc/13/28/87/646132887.db2.gz PWQRXKOMWWKUKI-RYUDHWBXSA-N 2 1 230.396 1.713 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)CO ZINC000924917374 646132890 /nfs/dbraw/zinc/13/28/90/646132890.db2.gz PWQRXKOMWWKUKI-RYUDHWBXSA-N 2 1 230.396 1.713 20 0 BDADMP Cc1cccc2c1[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC2 ZINC000924993488 646151391 /nfs/dbraw/zinc/15/13/91/646151391.db2.gz LJVRLRAFWOGPSS-ZIAGYGMSSA-N 2 1 248.370 1.494 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689126 646245752 /nfs/dbraw/zinc/24/57/52/646245752.db2.gz BWJPJHIFSDRIBD-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000925505232 646305170 /nfs/dbraw/zinc/30/51/70/646305170.db2.gz RZIPBNXQBRFTBB-VWYCJHECSA-N 2 1 212.337 1.020 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000925505229 646306825 /nfs/dbraw/zinc/30/68/25/646306825.db2.gz RZIPBNXQBRFTBB-AXFHLTTASA-N 2 1 212.337 1.020 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000925505230 646306978 /nfs/dbraw/zinc/30/69/78/646306978.db2.gz RZIPBNXQBRFTBB-DCAQKATOSA-N 2 1 212.337 1.020 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCNc1ccccn1 ZINC000925537156 646322387 /nfs/dbraw/zinc/32/23/87/646322387.db2.gz JTIQXNQEYXXPON-GFCCVEGCSA-N 2 1 248.374 1.614 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C(\C)COC)C1 ZINC000929790776 646323006 /nfs/dbraw/zinc/32/30/06/646323006.db2.gz MTCSSCYRNZXEQP-YGLIYXGISA-N 2 1 240.391 1.853 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C(\C)COC)C1 ZINC000929790776 646323013 /nfs/dbraw/zinc/32/30/13/646323013.db2.gz MTCSSCYRNZXEQP-YGLIYXGISA-N 2 1 240.391 1.853 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C(\C)COC)C1 ZINC000929790776 646323022 /nfs/dbraw/zinc/32/30/22/646323022.db2.gz MTCSSCYRNZXEQP-YGLIYXGISA-N 2 1 240.391 1.853 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C(\C)COC)C1 ZINC000929790776 646323027 /nfs/dbraw/zinc/32/30/27/646323027.db2.gz MTCSSCYRNZXEQP-YGLIYXGISA-N 2 1 240.391 1.853 20 0 BDADMP COC1CCC(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925543117 646323960 /nfs/dbraw/zinc/32/39/60/646323960.db2.gz QPJAOCMCVUMZJF-RYSNWHEDSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925553423 646329514 /nfs/dbraw/zinc/32/95/14/646329514.db2.gz RHYXSSPCLPPLBQ-RTXFEEFZSA-N 2 1 237.391 1.199 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000925553769 646330699 /nfs/dbraw/zinc/33/06/99/646330699.db2.gz VPANMUBZGHTIRK-UWVGGRQHSA-N 2 1 214.378 1.612 20 0 BDADMP C[N@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925556719 646331073 /nfs/dbraw/zinc/33/10/73/646331073.db2.gz MDDPLHRNCJFZCB-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925557811 646333840 /nfs/dbraw/zinc/33/38/40/646333840.db2.gz QPUDUVZXPWFQTE-KGLIPLIRSA-N 2 1 249.402 1.345 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925562421 646336580 /nfs/dbraw/zinc/33/65/80/646336580.db2.gz WNDUGEUXFJOJHW-MNOVXSKESA-N 2 1 212.337 1.022 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925573827 646342150 /nfs/dbraw/zinc/34/21/50/646342150.db2.gz PXPXKNBLAQPMIG-STQMWFEESA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925579706 646344467 /nfs/dbraw/zinc/34/44/67/646344467.db2.gz GTOPYQFYSUMRPB-CHWSQXEVSA-N 2 1 240.391 1.658 20 0 BDADMP Cc1noc(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)n1 ZINC000925596983 646350644 /nfs/dbraw/zinc/35/06/44/646350644.db2.gz ZGKAKZMPSFGNAE-SNVBAGLBSA-N 2 1 238.335 1.041 20 0 BDADMP OC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925608839 646357164 /nfs/dbraw/zinc/35/71/64/646357164.db2.gz KPOJXEOPYIWHKW-NSHDSACASA-N 2 1 224.348 1.166 20 0 BDADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925614236 646363193 /nfs/dbraw/zinc/36/31/93/646363193.db2.gz HIOGDLUFKQEXDU-DGCLKSJQSA-N 2 1 246.358 1.141 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925614046 646363744 /nfs/dbraw/zinc/36/37/44/646363744.db2.gz WQKUCPUFJCTIDS-NWDGAFQWSA-N 2 1 226.364 1.412 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925619967 646366798 /nfs/dbraw/zinc/36/67/98/646366798.db2.gz SIPGFZYUMPURRI-VXGBXAGGSA-N 2 1 226.364 1.268 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925618977 646367373 /nfs/dbraw/zinc/36/73/73/646367373.db2.gz YUNQUFLBTZASBX-JTQLQIEISA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925623130 646369652 /nfs/dbraw/zinc/36/96/52/646369652.db2.gz OYOQWMIQXUICDC-FRRDWIJNSA-N 2 1 237.391 1.330 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925622747 646370644 /nfs/dbraw/zinc/37/06/44/646370644.db2.gz MQUHDJVSCTUAAW-MCIONIFRSA-N 2 1 242.407 1.904 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925625277 646372189 /nfs/dbraw/zinc/37/21/89/646372189.db2.gz HGCUWDVDBBNKLB-XQQFMLRXSA-N 2 1 242.407 1.760 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925635893 646372592 /nfs/dbraw/zinc/37/25/92/646372592.db2.gz USTUZEPLGZKPMB-OUAUKWLOSA-N 2 1 212.337 1.020 20 0 BDADMP CC1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)OCCO1 ZINC000925640352 646382433 /nfs/dbraw/zinc/38/24/33/646382433.db2.gz RHKXRYDQRGFMLH-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925643714 646384800 /nfs/dbraw/zinc/38/48/00/646384800.db2.gz HPEYRAQPOAKEKJ-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP CCOC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925649634 646389501 /nfs/dbraw/zinc/38/95/01/646389501.db2.gz MOYWBMGRQBUEGD-OLZOCXBDSA-N 2 1 240.391 1.922 20 0 BDADMP OC1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925665772 646398396 /nfs/dbraw/zinc/39/83/96/646398396.db2.gz NLZOFOIAHAVISF-GFCCVEGCSA-N 2 1 238.375 1.556 20 0 BDADMP C[C@@H](CN(C)C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671754 646399625 /nfs/dbraw/zinc/39/96/25/646399625.db2.gz FPNSJTUYWPDHLM-SDDRHHMPSA-N 2 1 227.396 1.432 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000925668980 646400888 /nfs/dbraw/zinc/40/08/88/646400888.db2.gz MULLOWKDHAARAC-BXUZGUMPSA-N 2 1 246.354 1.893 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925675707 646405710 /nfs/dbraw/zinc/40/57/10/646405710.db2.gz OGQPLOSUCKGUFZ-VXGBXAGGSA-N 2 1 224.348 1.286 20 0 BDADMP COCC1(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000925679507 646406698 /nfs/dbraw/zinc/40/66/98/646406698.db2.gz ZXNAXXGCYXIURV-OLZOCXBDSA-N 2 1 240.391 1.923 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925677587 646407151 /nfs/dbraw/zinc/40/71/51/646407151.db2.gz VMAYWVMZGQEPOK-VWYCJHECSA-N 2 1 212.337 1.284 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925685461 646413487 /nfs/dbraw/zinc/41/34/87/646413487.db2.gz ITSOARPVCDSJKX-QWHCGFSZSA-N 3 1 239.407 1.448 20 0 BDADMP C[N@@H+]1CCC[C@@H](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925685461 646413493 /nfs/dbraw/zinc/41/34/93/646413493.db2.gz ITSOARPVCDSJKX-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@H+]1CCC[C@@H](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925685461 646413495 /nfs/dbraw/zinc/41/34/95/646413495.db2.gz ITSOARPVCDSJKX-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP OCC1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925688642 646414846 /nfs/dbraw/zinc/41/48/46/646414846.db2.gz FWKRBHCYMROQTQ-LLVKDONJSA-N 2 1 224.348 1.023 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H](O)C(C)C ZINC000925694436 646419212 /nfs/dbraw/zinc/41/92/12/646419212.db2.gz WMGNUZQGKRIBMW-AVGNSLFASA-N 2 1 240.391 1.656 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925701967 646424999 /nfs/dbraw/zinc/42/49/99/646424999.db2.gz IRKDUNWWPVYSDV-YPMHNXCESA-N 2 1 238.375 1.676 20 0 BDADMP CSCC1(CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925704415 646429404 /nfs/dbraw/zinc/42/94/04/646429404.db2.gz GXYCYQUSZZWDOP-NSHDSACASA-N 2 1 244.404 1.098 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)C1 ZINC000925704993 646429800 /nfs/dbraw/zinc/42/98/00/646429800.db2.gz HFWOCVCOGIRMFC-YFKTTZPYSA-N 2 1 243.370 1.182 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000925706670 646430356 /nfs/dbraw/zinc/43/03/56/646430356.db2.gz KGQLQIADNDXELL-AVGNSLFASA-N 3 1 225.380 1.249 20 0 BDADMP COCC1(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925706948 646431293 /nfs/dbraw/zinc/43/12/93/646431293.db2.gz PISPXENKDJTFLJ-VXGBXAGGSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000925706672 646431473 /nfs/dbraw/zinc/43/14/73/646431473.db2.gz KGQLQIADNDXELL-RWMBFGLXSA-N 3 1 225.380 1.249 20 0 BDADMP C1[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C12CC[NH2+]CC2 ZINC000925709663 646433915 /nfs/dbraw/zinc/43/39/15/646433915.db2.gz PIIILGFYSFSWKI-STQMWFEESA-N 3 1 249.402 1.393 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925712487 646435970 /nfs/dbraw/zinc/43/59/70/646435970.db2.gz HBLLKBCSHWTLRL-GXTWGEPZSA-N 2 1 245.370 1.887 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925724867 646450108 /nfs/dbraw/zinc/45/01/08/646450108.db2.gz FFFIBKHPXLISPG-IJLUTSLNSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)[C@H](C)O1 ZINC000925726062 646451844 /nfs/dbraw/zinc/45/18/44/646451844.db2.gz PUGWROLEIXPZFC-VOAKCMCISA-N 2 1 238.375 1.817 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nccc32)C12CCC2 ZINC000925730545 646453396 /nfs/dbraw/zinc/45/33/96/646453396.db2.gz WNUXTXFHVWKDJN-RAIGVLPGSA-N 2 1 246.358 1.578 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925736961 646453491 /nfs/dbraw/zinc/45/34/91/646453491.db2.gz LWUOPWINXIXCQT-WDEREUQCSA-N 3 1 227.396 1.609 20 0 BDADMP C[N@H+]1CC[C@H](NCCC(C)(C)[NH3+])[C@@H]2CCC[C@H]21 ZINC000925738052 646460878 /nfs/dbraw/zinc/46/08/78/646460878.db2.gz MGXQLYKTMJONFF-RWMBFGLXSA-N 3 1 239.407 1.576 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]2CCC[C@H]21 ZINC000925738052 646460882 /nfs/dbraw/zinc/46/08/82/646460882.db2.gz MGXQLYKTMJONFF-RWMBFGLXSA-N 3 1 239.407 1.576 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]2CCC[C@H]21 ZINC000925738052 646460886 /nfs/dbraw/zinc/46/08/86/646460886.db2.gz MGXQLYKTMJONFF-RWMBFGLXSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925756738 646463823 /nfs/dbraw/zinc/46/38/23/646463823.db2.gz YIUDRPANBAHXMV-QWRGUYRKSA-N 2 1 249.358 1.589 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925780766 646464395 /nfs/dbraw/zinc/46/43/95/646464395.db2.gz BOWOVFYIIJDKHS-WYUUTHIRSA-N 2 1 226.364 1.388 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925772918 646472359 /nfs/dbraw/zinc/47/23/59/646472359.db2.gz XQKXVVWSQQYDFY-IINYFYTJSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)[C@@H]1CCC[NH2+]1 ZINC000925772501 646473396 /nfs/dbraw/zinc/47/33/96/646473396.db2.gz IGHZIUCQIJMMHY-FQUUOJAGSA-N 2 1 238.375 1.818 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000925775734 646476289 /nfs/dbraw/zinc/47/62/89/646476289.db2.gz RSZCZQDTTRAJSB-AGIUHOORSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(=O)[nH]n1 ZINC000925779709 646477843 /nfs/dbraw/zinc/47/78/43/646477843.db2.gz OUXOGVBTZQBHRS-IVZWLZJFSA-N 2 1 236.319 1.103 20 0 BDADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925782102 646478537 /nfs/dbraw/zinc/47/85/37/646478537.db2.gz CYOZONZBQVFXJP-UPJWGTAASA-N 2 1 236.363 1.105 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925811177 646490292 /nfs/dbraw/zinc/49/02/92/646490292.db2.gz CMKCXMRDUMZPPW-UTUOFQBUSA-N 2 1 249.358 1.459 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccnnc1 ZINC000925814766 646492114 /nfs/dbraw/zinc/49/21/14/646492114.db2.gz PPTUNWCNLPLQBS-PWSUYJOCSA-N 2 1 243.314 1.339 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CO[C@H]1C ZINC000925814968 646492838 /nfs/dbraw/zinc/49/28/38/646492838.db2.gz ROOWCPPSTQPASC-YFKTTZPYSA-N 2 1 235.331 1.211 20 0 BDADMP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])ccc2O1 ZINC000925829299 646499148 /nfs/dbraw/zinc/49/91/48/646499148.db2.gz AUYAYHIXWVEFGL-LERXQTSPSA-N 2 1 246.354 1.979 20 0 BDADMP C[C@@H]1COC[C@@H](C)C1[NH2+]CCc1c[nH+]cn1C ZINC000926206188 646595574 /nfs/dbraw/zinc/59/55/74/646595574.db2.gz HPADWJTWVREZBD-GHMZBOCLSA-N 2 1 237.347 1.223 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000723711552 711535372 /nfs/dbraw/zinc/53/53/72/711535372.db2.gz DGHZTOHQOYPSBB-JTQLQIEISA-N 2 1 239.750 1.906 20 0 BDADMP CCc1cnc(C[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723708758 711535838 /nfs/dbraw/zinc/53/58/38/711535838.db2.gz HYMVWGOZLCXORI-SNVBAGLBSA-N 2 1 223.320 1.408 20 0 BDADMP COCC[N@@H+](CCF)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000700384336 711991095 /nfs/dbraw/zinc/99/10/95/711991095.db2.gz GHHDPTDSMTWNQT-VXGBXAGGSA-N 2 1 232.343 1.292 20 0 BDADMP C[C@H](O)CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705669002 712134888 /nfs/dbraw/zinc/13/48/88/712134888.db2.gz LHYLFSLEQKWAAW-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000707286410 712168640 /nfs/dbraw/zinc/16/86/40/712168640.db2.gz XTKPTIFXKUQJNM-TUAOUCFPSA-N 2 1 228.405 1.797 20 0 BDADMP CCn1nccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710713396 712255003 /nfs/dbraw/zinc/25/50/03/712255003.db2.gz ICLCAAYEXAVCIB-UHFFFAOYSA-N 2 1 238.379 1.854 20 0 BDADMP COc1cc(C[N@@H+](C)CCCCCC[NH3+])on1 ZINC000710766135 712256041 /nfs/dbraw/zinc/25/60/41/712256041.db2.gz OPEUVWMZMWRXGI-UHFFFAOYSA-N 2 1 241.335 1.634 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CF)C1 ZINC000711450108 712301570 /nfs/dbraw/zinc/30/15/70/712301570.db2.gz JHDJBKCOICVKPZ-CHWSQXEVSA-N 2 1 246.370 1.369 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CF)C1 ZINC000711450108 712301571 /nfs/dbraw/zinc/30/15/71/712301571.db2.gz JHDJBKCOICVKPZ-CHWSQXEVSA-N 2 1 246.370 1.369 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711450108 712301576 /nfs/dbraw/zinc/30/15/76/712301576.db2.gz JHDJBKCOICVKPZ-CHWSQXEVSA-N 2 1 246.370 1.369 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@]3(C)CCC[NH2+]C3)C[C@@H]21 ZINC000379573492 712388682 /nfs/dbraw/zinc/38/86/82/712388682.db2.gz XMTQYMOACNXMTB-MBNYWOFBSA-N 2 1 222.376 1.964 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@]3(C)CCC[NH2+]C3)C[C@@H]21 ZINC000379573494 712388830 /nfs/dbraw/zinc/38/88/30/712388830.db2.gz XMTQYMOACNXMTB-SCRDCRAPSA-N 2 1 222.376 1.964 20 0 BDADMP C[N@H+](C[C@@H]1CCC2(CCC2)O1)[C@H](C[NH3+])C1CC1 ZINC000712437574 712429917 /nfs/dbraw/zinc/42/99/17/712429917.db2.gz IWODAMVUVGZDCT-QWHCGFSZSA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(CCC2)O1)[C@H](C[NH3+])C1CC1 ZINC000712437574 712429919 /nfs/dbraw/zinc/42/99/19/712429919.db2.gz IWODAMVUVGZDCT-QWHCGFSZSA-N 2 1 238.375 1.757 20 0 BDADMP FC(F)(F)OCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000713399377 712459172 /nfs/dbraw/zinc/45/91/72/712459172.db2.gz YGRFLVHOPHBGCT-RKDXNWHRSA-N 2 1 238.253 1.064 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714907610 712499403 /nfs/dbraw/zinc/49/94/03/712499403.db2.gz NOLFYTPKVBAQAU-RYDUCSDGSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714907610 712499404 /nfs/dbraw/zinc/49/94/04/712499404.db2.gz NOLFYTPKVBAQAU-RYDUCSDGSA-N 2 1 208.349 1.844 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714783432 712498216 /nfs/dbraw/zinc/49/82/16/712498216.db2.gz SHZZMFDMTHAGRQ-UPJWGTAASA-N 2 1 208.349 1.846 20 0 BDADMP C([NH2+][C@@H]1CCSC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485333 712650820 /nfs/dbraw/zinc/65/08/20/712650820.db2.gz MSGUKHMEJOKCJG-GHMZBOCLSA-N 2 1 226.389 1.566 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCC[NH+](C)C1 ZINC000717947232 712734859 /nfs/dbraw/zinc/73/48/59/712734859.db2.gz VKLIOAAUONOGDP-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP C[NH+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000717947232 712734861 /nfs/dbraw/zinc/73/48/61/712734861.db2.gz VKLIOAAUONOGDP-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP C[NH+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000717947232 712734864 /nfs/dbraw/zinc/73/48/64/712734864.db2.gz VKLIOAAUONOGDP-MCIONIFRSA-N 3 1 239.407 1.387 20 0 BDADMP CN1CCC[C@@H](C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717947232 712734866 /nfs/dbraw/zinc/73/48/66/712734866.db2.gz VKLIOAAUONOGDP-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP CN1CCC[C@@H](C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717947232 712734868 /nfs/dbraw/zinc/73/48/68/712734868.db2.gz VKLIOAAUONOGDP-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000719784604 712824755 /nfs/dbraw/zinc/82/47/55/712824755.db2.gz YEFMIQMVZKJQRC-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(C)nn1 ZINC000720583815 712854848 /nfs/dbraw/zinc/85/48/48/712854848.db2.gz QUVAOGVDPQYQEM-ZDUSSCGKSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)nn1 ZINC000720583815 712854850 /nfs/dbraw/zinc/85/48/50/712854850.db2.gz QUVAOGVDPQYQEM-ZDUSSCGKSA-N 2 1 234.347 1.264 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC([NH3+])C1 ZINC000720893098 712874559 /nfs/dbraw/zinc/87/45/59/712874559.db2.gz JFUIWZHVHJGWAE-JSPGJAJPSA-N 2 1 224.348 1.366 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC000721767209 710685964 /nfs/dbraw/zinc/68/59/64/710685964.db2.gz FKGQIYREGLFNSS-MJBXVCDLSA-N 2 1 242.407 1.822 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC000721963008 710694406 /nfs/dbraw/zinc/69/44/06/710694406.db2.gz QROWBGUKUISCNM-ZIAGYGMSSA-N 2 1 242.407 1.836 20 0 BDADMP C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380457308 712900913 /nfs/dbraw/zinc/90/09/13/712900913.db2.gz PFGFEYKOQGESHS-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000380457308 712900914 /nfs/dbraw/zinc/90/09/14/712900914.db2.gz PFGFEYKOQGESHS-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCO[C@@H]1CCOC1 ZINC000724936947 710750203 /nfs/dbraw/zinc/75/02/03/710750203.db2.gz OTNZUVGDQPQMPV-CYBMUJFWSA-N 2 1 244.379 1.243 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCO[C@H]1CCOC1 ZINC000724936950 710750567 /nfs/dbraw/zinc/75/05/67/710750567.db2.gz OTNZUVGDQPQMPV-ZDUSSCGKSA-N 2 1 244.379 1.243 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000383812135 710946089 /nfs/dbraw/zinc/94/60/89/710946089.db2.gz VOXZJQKCLOMMIZ-UONOGXRCSA-N 2 1 240.391 1.590 20 0 BDADMP CO[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383787720 710932013 /nfs/dbraw/zinc/93/20/13/710932013.db2.gz QKWKSNPTYIIMDG-KGLIPLIRSA-N 2 1 238.375 1.770 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133090574 710968330 /nfs/dbraw/zinc/96/83/30/710968330.db2.gz RQFPVWYABRARRT-CHWSQXEVSA-N 2 1 228.380 1.720 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(O)CCCC3)C[C@@H]2C1 ZINC000383958314 710986510 /nfs/dbraw/zinc/98/65/10/710986510.db2.gz XBUPFLGPWMLORG-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(O)CCCC3)C[C@@H]2C1 ZINC000383958314 710986513 /nfs/dbraw/zinc/98/65/13/710986513.db2.gz XBUPFLGPWMLORG-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(O)CCCC3)C[C@@H]2C1 ZINC000383958314 710986515 /nfs/dbraw/zinc/98/65/15/710986515.db2.gz XBUPFLGPWMLORG-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000385842271 711017698 /nfs/dbraw/zinc/01/76/98/711017698.db2.gz NUOKTGCZZVSBAY-NSHDSACASA-N 2 1 228.336 1.143 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCC2CC2)CCO1 ZINC000394617546 711195824 /nfs/dbraw/zinc/19/58/24/711195824.db2.gz OXEYGJYVFYMZLQ-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCC2CC2)CCO1 ZINC000394617546 711195828 /nfs/dbraw/zinc/19/58/28/711195828.db2.gz OXEYGJYVFYMZLQ-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H](CCCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000395075111 711200768 /nfs/dbraw/zinc/20/07/68/711200768.db2.gz ZYVVARPCNANONR-FUDCBSFHSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000396613398 711360941 /nfs/dbraw/zinc/36/09/41/711360941.db2.gz RQZDGJAPXNACRS-IKWCTNDRSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396612692 711360980 /nfs/dbraw/zinc/36/09/80/711360980.db2.gz FJBHWBQWPYKYOA-RYUDHWBXSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@@H]1NCCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000396631312 711361509 /nfs/dbraw/zinc/36/15/09/711361509.db2.gz XTUSYDSVBIKZDL-AAEUAGOBSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000396540761 711353073 /nfs/dbraw/zinc/35/30/73/711353073.db2.gz AMCIXYHXKUAQAP-PWSUYJOCSA-N 2 1 228.405 1.860 20 0 BDADMP CSC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396621881 711361903 /nfs/dbraw/zinc/36/19/03/711361903.db2.gz DNTVEFBQVCVXPY-ZJUUUORDSA-N 2 1 214.378 1.612 20 0 BDADMP CSC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396639631 711357453 /nfs/dbraw/zinc/35/74/53/711357453.db2.gz IKHSXEFJMRQDRI-NXEZZACHSA-N 2 1 216.394 1.858 20 0 BDADMP COCCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396580109 711357475 /nfs/dbraw/zinc/35/74/75/711357475.db2.gz FAQYQUOZNONOTB-VXGBXAGGSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396726618 711368048 /nfs/dbraw/zinc/36/80/48/711368048.db2.gz WPSCWPPOECUGCC-MXWKQRLJSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOC(F)(F)F ZINC000398196373 711404472 /nfs/dbraw/zinc/40/44/72/711404472.db2.gz VGOXNCSSAGCJQR-RKDXNWHRSA-N 2 1 240.269 1.725 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCOC(F)(F)F ZINC000398196373 711404473 /nfs/dbraw/zinc/40/44/73/711404473.db2.gz VGOXNCSSAGCJQR-RKDXNWHRSA-N 2 1 240.269 1.725 20 0 BDADMP CC[C@@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000398476933 711410732 /nfs/dbraw/zinc/41/07/32/711410732.db2.gz JNXHOQOHILZFCM-WTUNAVPPSA-N 2 1 240.391 1.752 20 0 BDADMP CC[C@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000398476932 711411095 /nfs/dbraw/zinc/41/10/95/711411095.db2.gz JNXHOQOHILZFCM-GSPSYOTPSA-N 2 1 240.391 1.752 20 0 BDADMP CCC[N@@H+](C[C@@H](O)CN1CCCC1)C1CC1 ZINC000381266953 710614885 /nfs/dbraw/zinc/61/48/85/710614885.db2.gz ULGUJOBONNWZCP-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000381266953 710614892 /nfs/dbraw/zinc/61/48/92/710614892.db2.gz ULGUJOBONNWZCP-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccoc1 ZINC000381408659 710633874 /nfs/dbraw/zinc/63/38/74/710633874.db2.gz TYCGOPRYWBAPGZ-UHFFFAOYSA-N 2 1 219.288 1.964 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000721963722 710693704 /nfs/dbraw/zinc/69/37/04/710693704.db2.gz LDXYPUIHVWRJTG-MCIONIFRSA-N 2 1 242.407 1.822 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000392645020 711150641 /nfs/dbraw/zinc/15/06/41/711150641.db2.gz RADFWXWGXKPCIK-CMPLNLGQSA-N 2 1 235.331 1.360 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396612688 711362209 /nfs/dbraw/zinc/36/22/09/711362209.db2.gz FJBHWBQWPYKYOA-NEPJUHHUSA-N 2 1 214.353 1.532 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000396646792 711362352 /nfs/dbraw/zinc/36/23/52/711362352.db2.gz CKSFJUPJUGEEEY-ZMLRMANQSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000396680936 711364766 /nfs/dbraw/zinc/36/47/66/711364766.db2.gz VVITZNXQIVCNFB-SRVKXCTJSA-N 2 1 210.321 1.409 20 0 BDADMP CCOCCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396714435 711365328 /nfs/dbraw/zinc/36/53/28/711365328.db2.gz QUAFSEYVTCJVFJ-VXGBXAGGSA-N 2 1 214.353 1.533 20 0 BDADMP C[N@@H+](CCC(C)(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000399660872 711433689 /nfs/dbraw/zinc/43/36/89/711433689.db2.gz GUCBZXWIUHCRPW-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721439877 711476451 /nfs/dbraw/zinc/47/64/51/711476451.db2.gz ZZBBAYYRZKJBDN-IUCAKERBSA-N 2 1 240.269 1.377 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000723049642 711497711 /nfs/dbraw/zinc/49/77/11/711497711.db2.gz AKOYRRDJWWQZCB-MROQNXINSA-N 2 1 208.349 1.574 20 0 BDADMP COC[C@@H](C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC000723452934 711500418 /nfs/dbraw/zinc/50/04/18/711500418.db2.gz AZZFHHYXGUPTRB-IJLUTSLNSA-N 2 1 214.353 1.184 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000723122567 711505891 /nfs/dbraw/zinc/50/58/91/711505891.db2.gz QSQFDQZFABLETF-RNJOBUHISA-N 2 1 210.365 1.949 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000723683043 711534000 /nfs/dbraw/zinc/53/40/00/711534000.db2.gz NWHFEBMUJBIUPV-LLVKDONJSA-N 2 1 234.347 1.389 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000723691534 711534196 /nfs/dbraw/zinc/53/41/96/711534196.db2.gz PPNUFGQGWZQSGN-SECBINFHSA-N 2 1 211.334 1.314 20 0 BDADMP CC(C)c1cnc(C[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000723709464 711535441 /nfs/dbraw/zinc/53/54/41/711535441.db2.gz PFZOTBNSJBTUDY-LLVKDONJSA-N 2 1 237.347 1.969 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000723701823 711535875 /nfs/dbraw/zinc/53/58/75/711535875.db2.gz RQCWASRWUXSKQO-GXTWGEPZSA-N 2 1 234.343 1.391 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000723875798 711541578 /nfs/dbraw/zinc/54/15/78/711541578.db2.gz DOCITZZAVMXPIO-OAHLLOKOSA-N 2 1 245.370 1.884 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000723875798 711541580 /nfs/dbraw/zinc/54/15/80/711541580.db2.gz DOCITZZAVMXPIO-OAHLLOKOSA-N 2 1 245.370 1.884 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000723901137 711544413 /nfs/dbraw/zinc/54/44/13/711544413.db2.gz OCUXUTCFARHFIN-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1CC[NH3+] ZINC000723908752 711545107 /nfs/dbraw/zinc/54/51/07/711545107.db2.gz JWBVFFZYFKBNTG-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP COC[C@@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC000723923731 711545499 /nfs/dbraw/zinc/54/54/99/711545499.db2.gz WYIAYMUQIUBPIZ-MGPQQGTHSA-N 2 1 242.407 1.822 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000724155361 711565076 /nfs/dbraw/zinc/56/50/76/711565076.db2.gz LRQUREOSVXRWOZ-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396719565 711703314 /nfs/dbraw/zinc/70/33/14/711703314.db2.gz SNQFEDPXCXLXAJ-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C1=C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925712270 711711592 /nfs/dbraw/zinc/71/15/92/711711592.db2.gz QYYGDYCGEXAYLI-VXGBXAGGSA-N 2 1 206.333 1.969 20 0 BDADMP C(C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@H]1CCC[NH2+]C1 ZINC000334979371 711719749 /nfs/dbraw/zinc/71/97/49/711719749.db2.gz FNXRTTZAJHCAHC-ZIAGYGMSSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)[C@H]1CCC[NH2+]C1 ZINC000334979371 711719750 /nfs/dbraw/zinc/71/97/50/711719750.db2.gz FNXRTTZAJHCAHC-ZIAGYGMSSA-N 3 1 237.391 1.204 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257662727 711724385 /nfs/dbraw/zinc/72/43/85/711724385.db2.gz GOSROZPGPHUJFD-CQSZACIVSA-N 2 1 238.375 1.631 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093210633 711726700 /nfs/dbraw/zinc/72/67/00/711726700.db2.gz KVJMXZGTHHPYBR-GXTWGEPZSA-N 3 1 239.407 1.719 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNc1cc(C)[nH+]c(N)n1 ZINC000038764565 711762208 /nfs/dbraw/zinc/76/22/08/711762208.db2.gz YZAUNOQEFWSPSK-SNVBAGLBSA-N 2 1 235.335 1.263 20 0 BDADMP [NH3+]CCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000843340778 711762403 /nfs/dbraw/zinc/76/24/03/711762403.db2.gz DZZXIYXCGGLFDV-ZIAGYGMSSA-N 3 1 239.407 1.722 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721797587 711769819 /nfs/dbraw/zinc/76/98/19/711769819.db2.gz GVVCQBNBCMUTTN-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721797587 711769821 /nfs/dbraw/zinc/76/98/21/711769821.db2.gz GVVCQBNBCMUTTN-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721797587 711769822 /nfs/dbraw/zinc/76/98/22/711769822.db2.gz GVVCQBNBCMUTTN-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3(O)CCCC3)CC[C@@H]21 ZINC000879573344 711769907 /nfs/dbraw/zinc/76/99/07/711769907.db2.gz NSZRPQUCIBEIKW-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3(O)CCCC3)CC[C@@H]21 ZINC000879573344 711769908 /nfs/dbraw/zinc/76/99/08/711769908.db2.gz NSZRPQUCIBEIKW-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(O)CCCC3)CC[C@@H]21 ZINC000879573344 711769909 /nfs/dbraw/zinc/76/99/09/711769909.db2.gz NSZRPQUCIBEIKW-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000721929065 711937815 /nfs/dbraw/zinc/93/78/15/711937815.db2.gz WTLMJUDEUHDGMF-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000700273236 711989402 /nfs/dbraw/zinc/98/94/02/711989402.db2.gz KYXPWPSZBYFEAC-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000700273236 711989405 /nfs/dbraw/zinc/98/94/05/711989405.db2.gz KYXPWPSZBYFEAC-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CO[C@H]1C ZINC000700791426 712004861 /nfs/dbraw/zinc/00/48/61/712004861.db2.gz KDHXTAOFFCFRCM-XUXIUFHCSA-N 2 1 240.391 1.731 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000701779452 712028836 /nfs/dbraw/zinc/02/88/36/712028836.db2.gz AQNVNBHBJSZFGW-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000702069837 712037389 /nfs/dbraw/zinc/03/73/89/712037389.db2.gz SMQABWUAFYMDQO-LSDHHAIUSA-N 2 1 230.355 1.770 20 0 BDADMP Cc1nccn1CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702075835 712038112 /nfs/dbraw/zinc/03/81/12/712038112.db2.gz DZYUCXIISSLCHE-UONOGXRCSA-N 2 1 248.374 1.123 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H](C)C1 ZINC000703287642 712070665 /nfs/dbraw/zinc/07/06/65/712070665.db2.gz ZRTUKDOSEOEEHF-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703816756 712089377 /nfs/dbraw/zinc/08/93/77/712089377.db2.gz NDNJRTUNWIJRLE-YJBUHQLJSA-N 2 1 238.375 1.626 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000703844843 712090739 /nfs/dbraw/zinc/09/07/39/712090739.db2.gz DCRXZPULRQKHLJ-ZYGVAYEYSA-N 2 1 212.337 1.081 20 0 BDADMP COC1CC(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000703870373 712091733 /nfs/dbraw/zinc/09/17/33/712091733.db2.gz DVWSGUXTMKOSGO-VZANTVGXSA-N 2 1 240.391 1.717 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000704939475 712120085 /nfs/dbraw/zinc/12/00/85/712120085.db2.gz GXPKTWOPXMPXLC-LBELIVKGSA-N 2 1 206.333 1.326 20 0 BDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH+]cc1CO ZINC000705128919 712122416 /nfs/dbraw/zinc/12/24/16/712122416.db2.gz OSLVTZBSVMLHPT-GFCCVEGCSA-N 2 1 249.358 1.352 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(C)(C)O)C[C@]2(C)C1 ZINC000705669189 712135221 /nfs/dbraw/zinc/13/52/21/712135221.db2.gz LLQPOJKNBDSCAB-OKILXGFUSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](CCC(C)(C)O)C[C@]2(C)C1 ZINC000705669189 712135222 /nfs/dbraw/zinc/13/52/22/712135222.db2.gz LLQPOJKNBDSCAB-OKILXGFUSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](CCC(C)(C)O)C[C@]2(C)C1 ZINC000705669189 712135223 /nfs/dbraw/zinc/13/52/23/712135223.db2.gz LLQPOJKNBDSCAB-OKILXGFUSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(C)(C)O)C[C@]2(C)C1 ZINC000705669189 712135224 /nfs/dbraw/zinc/13/52/24/712135224.db2.gz LLQPOJKNBDSCAB-OKILXGFUSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705661424 712135250 /nfs/dbraw/zinc/13/52/50/712135250.db2.gz ZZAKUFFYOFMEAL-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP CSC1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000706896425 712159376 /nfs/dbraw/zinc/15/93/76/712159376.db2.gz FLBQUHUESJNBOP-UNXYVOJBSA-N 2 1 228.405 1.812 20 0 BDADMP CSC1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000706896436 712159385 /nfs/dbraw/zinc/15/93/85/712159385.db2.gz FLBQUHUESJNBOP-VOMCLLRMSA-N 2 1 228.405 1.812 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000707208946 712165909 /nfs/dbraw/zinc/16/59/09/712165909.db2.gz QZJBJUJMUNHTTJ-FRRDWIJNSA-N 2 1 242.432 1.915 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@]3(CCOC3)C2)CCC[NH2+]C1 ZINC000707211448 712167168 /nfs/dbraw/zinc/16/71/68/712167168.db2.gz BFNTYUCBULXXIG-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP C[N@@H+](CCn1cccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000707371090 712170326 /nfs/dbraw/zinc/17/03/26/712170326.db2.gz IRYWVOCXLWXHLM-AGUYFDCRSA-N 2 1 248.374 1.346 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000707599428 712176048 /nfs/dbraw/zinc/17/60/48/712176048.db2.gz RCKMJVAUPGQFPZ-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CC[C@@H]1C[NH3+] ZINC000708352846 712190215 /nfs/dbraw/zinc/19/02/15/712190215.db2.gz DKODLEKSQVYTJW-JHJVBQTASA-N 2 1 240.391 1.718 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000708679284 712196407 /nfs/dbraw/zinc/19/64/07/712196407.db2.gz DXINWFGVKJIKPY-NNYUYHANSA-N 2 1 212.337 1.142 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000708998153 712204972 /nfs/dbraw/zinc/20/49/72/712204972.db2.gz LMIMTCGQOFSZJM-HUUCEWRRSA-N 2 1 248.370 1.923 20 0 BDADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000708998153 712204976 /nfs/dbraw/zinc/20/49/76/712204976.db2.gz LMIMTCGQOFSZJM-HUUCEWRRSA-N 2 1 248.370 1.923 20 0 BDADMP C[C@H](O)C[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000709403179 712220803 /nfs/dbraw/zinc/22/08/03/712220803.db2.gz UIMPXAKPEWNJSX-NSHDSACASA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)C[N@@H+](CCC[NH3+])CC1CC[NH+](C)CC1 ZINC000709470491 712222389 /nfs/dbraw/zinc/22/23/89/712222389.db2.gz MZFRPHGNUYEXTJ-UHFFFAOYSA-N 3 1 241.423 1.635 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709997676 712238952 /nfs/dbraw/zinc/23/89/52/712238952.db2.gz UTFXYASRJWACCB-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709997676 712238953 /nfs/dbraw/zinc/23/89/53/712238953.db2.gz UTFXYASRJWACCB-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP CCC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000710337088 712252218 /nfs/dbraw/zinc/25/22/18/712252218.db2.gz MXEYSMAZWHHERY-NSHDSACASA-N 2 1 249.362 1.511 20 0 BDADMP FC[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000711417788 712299253 /nfs/dbraw/zinc/29/92/53/712299253.db2.gz UCOKXKJHDHMZPS-WDEREUQCSA-N 2 1 200.301 1.277 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000711471334 712302938 /nfs/dbraw/zinc/30/29/38/712302938.db2.gz SMTNYPGCXUXTBT-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@H](CF)C1)C1CC1 ZINC000711453670 712304348 /nfs/dbraw/zinc/30/43/48/712304348.db2.gz UNKITXNBNQYXAM-WCQYABFASA-N 2 1 244.354 1.123 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CF)C1)C1CC1 ZINC000711453670 712304349 /nfs/dbraw/zinc/30/43/49/712304349.db2.gz UNKITXNBNQYXAM-WCQYABFASA-N 2 1 244.354 1.123 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CF)C1)C1CC1 ZINC000711453670 712304350 /nfs/dbraw/zinc/30/43/50/712304350.db2.gz UNKITXNBNQYXAM-WCQYABFASA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](CF)C1)C1CC1 ZINC000711453670 712304351 /nfs/dbraw/zinc/30/43/51/712304351.db2.gz UNKITXNBNQYXAM-WCQYABFASA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1)C1CC1 ZINC000711453670 712304352 /nfs/dbraw/zinc/30/43/52/712304352.db2.gz UNKITXNBNQYXAM-WCQYABFASA-N 2 1 244.354 1.123 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711587611 712311223 /nfs/dbraw/zinc/31/12/23/712311223.db2.gz UVORDGZFITVSFS-PHIMTYICSA-N 2 1 228.405 1.669 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711587611 712311224 /nfs/dbraw/zinc/31/12/24/712311224.db2.gz UVORDGZFITVSFS-PHIMTYICSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCCCCC[NH3+] ZINC000923434913 712322046 /nfs/dbraw/zinc/32/20/46/712322046.db2.gz CJIAHTVVLPEDHP-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCCCCC[NH3+] ZINC000923434913 712322047 /nfs/dbraw/zinc/32/20/47/712322047.db2.gz CJIAHTVVLPEDHP-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000711804608 712331586 /nfs/dbraw/zinc/33/15/86/712331586.db2.gz QFKSPLSSGKCVEF-UHFFFAOYSA-N 2 1 248.374 1.649 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480143 712334184 /nfs/dbraw/zinc/33/41/84/712334184.db2.gz VWCMDEKYEYYJNW-QWHCGFSZSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712437759 712429637 /nfs/dbraw/zinc/42/96/37/712429637.db2.gz KMTXIOMAPWBPQT-STQMWFEESA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438265 712429757 /nfs/dbraw/zinc/42/97/57/712429757.db2.gz NURBPEZGRWNXPL-QWHCGFSZSA-N 2 1 238.375 1.759 20 0 BDADMP C[N@H+](C[C@H]1CCC2(CCC2)O1)[C@H](C[NH3+])C1CC1 ZINC000712437572 712429975 /nfs/dbraw/zinc/42/99/75/712429975.db2.gz IWODAMVUVGZDCT-CHWSQXEVSA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(CCC2)O1)[C@H](C[NH3+])C1CC1 ZINC000712437572 712429977 /nfs/dbraw/zinc/42/99/77/712429977.db2.gz IWODAMVUVGZDCT-CHWSQXEVSA-N 2 1 238.375 1.757 20 0 BDADMP CC(C)OCCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712507463 712432157 /nfs/dbraw/zinc/43/21/57/712432157.db2.gz RVWOPBPAISOFKJ-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712596806 712436232 /nfs/dbraw/zinc/43/62/32/712436232.db2.gz JNSRXUQXEWLYOA-UHFFFAOYSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[NH2+]CCC1(C)C ZINC000712596806 712436234 /nfs/dbraw/zinc/43/62/34/712436234.db2.gz JNSRXUQXEWLYOA-UHFFFAOYSA-N 2 1 233.359 1.964 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CNc1cc(C)[nH+]c(C)n1 ZINC000712568725 712446830 /nfs/dbraw/zinc/44/68/30/712446830.db2.gz FBPFTODQQMZMEN-LLVKDONJSA-N 2 1 220.320 1.600 20 0 BDADMP CC[N@H+]1CC[C@@H]1CNc1cc(C)[nH+]c(C)n1 ZINC000712568725 712446832 /nfs/dbraw/zinc/44/68/32/712446832.db2.gz FBPFTODQQMZMEN-LLVKDONJSA-N 2 1 220.320 1.600 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[NH2+]CCC23CCC3)O1 ZINC000713209539 712455115 /nfs/dbraw/zinc/45/51/15/712455115.db2.gz CIKWYQYNKAOPDM-CHWSQXEVSA-N 2 1 238.375 1.772 20 0 BDADMP C=C/C=C\CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000713501167 712463365 /nfs/dbraw/zinc/46/33/65/712463365.db2.gz FSIPYTABMPDKBD-DSYXLKISSA-N 2 1 224.348 1.163 20 0 BDADMP C=C/C=C\CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000713501167 712463366 /nfs/dbraw/zinc/46/33/66/712463366.db2.gz FSIPYTABMPDKBD-DSYXLKISSA-N 2 1 224.348 1.163 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000713598247 712466618 /nfs/dbraw/zinc/46/66/18/712466618.db2.gz ZJTQALBZZAQEAP-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP C=C/C=C/CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000713642429 712467777 /nfs/dbraw/zinc/46/77/77/712467777.db2.gz LIXANZWHHYXCFF-QITAHTHBSA-N 2 1 206.333 1.660 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000714439931 712488753 /nfs/dbraw/zinc/48/87/53/712488753.db2.gz ZIWZTEFOFROODK-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000714439931 712488756 /nfs/dbraw/zinc/48/87/56/712488756.db2.gz ZIWZTEFOFROODK-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714783432 712498215 /nfs/dbraw/zinc/49/82/15/712498215.db2.gz SHZZMFDMTHAGRQ-UPJWGTAASA-N 2 1 208.349 1.846 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000714831869 712500884 /nfs/dbraw/zinc/50/08/84/712500884.db2.gz PFOYYWXRQLVVDB-KGLIPLIRSA-N 2 1 240.391 1.590 20 0 BDADMP CNc1cc(NC2CCC([NH+](C)C)CC2)nc[nH+]1 ZINC000715524039 712525580 /nfs/dbraw/zinc/52/55/80/712525580.db2.gz WUJKYAVGOXFSNS-UHFFFAOYSA-N 2 1 249.362 1.803 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CCC2(CCC2)CO1 ZINC000716294986 712553896 /nfs/dbraw/zinc/55/38/96/712553896.db2.gz OUXHIGDVYHQWEV-GFCCVEGCSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000716545512 712567694 /nfs/dbraw/zinc/56/76/94/712567694.db2.gz LKHWORYDGPUXDS-RFHZTLPTSA-N 2 1 222.376 1.962 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000379960217 712636621 /nfs/dbraw/zinc/63/66/21/712636621.db2.gz AZWMXSVAZRCPKE-XNBXPENISA-N 2 1 234.343 1.265 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cccc(N)c1 ZINC000717463159 712659594 /nfs/dbraw/zinc/65/95/94/712659594.db2.gz DXCINGVPRMAVTI-LSDHHAIUSA-N 2 1 245.370 1.937 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cccc(N)c1 ZINC000717463159 712659595 /nfs/dbraw/zinc/65/95/95/712659595.db2.gz DXCINGVPRMAVTI-LSDHHAIUSA-N 2 1 245.370 1.937 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000719571683 712810955 /nfs/dbraw/zinc/81/09/55/712810955.db2.gz SOUKRGNLCHKUAB-ZYHUDNBSSA-N 2 1 205.305 1.316 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000719667147 712818272 /nfs/dbraw/zinc/81/82/72/712818272.db2.gz KWWCWQHQMALNJF-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000719777636 712823999 /nfs/dbraw/zinc/82/39/99/712823999.db2.gz HPFULGVLGHYGEA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719846591 712825916 /nfs/dbraw/zinc/82/59/16/712825916.db2.gz QPBIVFWMAWMUNN-NSHDSACASA-N 2 1 239.388 1.617 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719846591 712825917 /nfs/dbraw/zinc/82/59/17/712825917.db2.gz QPBIVFWMAWMUNN-NSHDSACASA-N 2 1 239.388 1.617 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719849827 712826288 /nfs/dbraw/zinc/82/62/88/712826288.db2.gz ZSJMUNPPKBRWMA-LLVKDONJSA-N 2 1 239.388 1.746 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000719889835 712826500 /nfs/dbraw/zinc/82/65/00/712826500.db2.gz OFRKRWODLJLIEH-JTQLQIEISA-N 2 1 225.361 1.356 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)nn1 ZINC000720568619 712852377 /nfs/dbraw/zinc/85/23/77/712852377.db2.gz USWIBXMWYMVLNL-ZANVPECISA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)nn1 ZINC000720568619 712852379 /nfs/dbraw/zinc/85/23/79/712852379.db2.gz USWIBXMWYMVLNL-ZANVPECISA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)nn1 ZINC000720585154 712854575 /nfs/dbraw/zinc/85/45/75/712854575.db2.gz WIZDPRDGLYTAMN-JQWIXIFHSA-N 2 1 234.347 1.263 20 0 BDADMP C[NH2+]CCN(CCCc1c[nH+]cn1C)C(C)C ZINC000720776175 712864905 /nfs/dbraw/zinc/86/49/05/712864905.db2.gz UQIBWNODBQFXPP-UHFFFAOYSA-N 2 1 238.379 1.283 20 0 BDADMP COCCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720805258 712866819 /nfs/dbraw/zinc/86/68/19/712866819.db2.gz LEXKVJMLDJJZGX-BDAKNGLRSA-N 2 1 240.269 1.092 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720835782 712869281 /nfs/dbraw/zinc/86/92/81/712869281.db2.gz MXNKNBDNRTYEJK-KWCYVHTRSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720844848 712869977 /nfs/dbraw/zinc/86/99/77/712869977.db2.gz IDGVXDUHFPIKHR-KWCYVHTRSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720873534 712873466 /nfs/dbraw/zinc/87/34/66/712873466.db2.gz QNLUBGZUGDVYCV-XDQVBPFNSA-N 2 1 238.375 1.615 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720903728 712875097 /nfs/dbraw/zinc/87/50/97/712875097.db2.gz LFPIQLYJARYZLN-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720903728 712875098 /nfs/dbraw/zinc/87/50/98/712875098.db2.gz LFPIQLYJARYZLN-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000397781568 957815476 /nfs/dbraw/zinc/81/54/76/957815476.db2.gz OWCQOYJTMLRDRF-YVECIDJPSA-N 2 1 208.349 1.859 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000724153698 958736831 /nfs/dbraw/zinc/73/68/31/958736831.db2.gz SPPVRXJKCHZJSL-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300032674 959827760 /nfs/dbraw/zinc/82/77/60/959827760.db2.gz SZVOCQACKZHWRI-ZIAGYGMSSA-N 2 1 240.391 1.469 20 0 BDADMP CC[N@H+]1CC[C@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226657421 975007018 /nfs/dbraw/zinc/00/70/18/975007018.db2.gz PMCJGGFQQCGKEG-JTQLQIEISA-N 2 1 207.277 1.137 20 0 BDADMP CO[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)C[C@@H]1F ZINC001207478999 960347537 /nfs/dbraw/zinc/34/75/37/960347537.db2.gz AGGKWAUBAILDHP-STQMWFEESA-N 2 1 244.354 1.387 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001204763243 963371246 /nfs/dbraw/zinc/37/12/46/963371246.db2.gz IKCHKUQWEBHGJO-UMSGYPCISA-N 2 1 206.333 1.622 20 0 BDADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]C(C)C ZINC001161233428 964559977 /nfs/dbraw/zinc/55/99/77/964559977.db2.gz WGVLLANEJHAHHB-UHFFFAOYSA-N 2 1 243.395 1.221 20 0 BDADMP Cc1ncccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697847394 964565906 /nfs/dbraw/zinc/56/59/06/964565906.db2.gz GQCKKLANQXBZEU-LLVKDONJSA-N 2 1 221.348 1.820 20 0 BDADMP C[NH+]1CCC(CO[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001224449572 964650570 /nfs/dbraw/zinc/65/05/70/964650570.db2.gz HUKMAABQVXODCF-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697903712 964660400 /nfs/dbraw/zinc/66/04/00/964660400.db2.gz MLMWKOMLYNMOSG-SNVBAGLBSA-N 2 1 224.352 1.158 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000714960811 965568738 /nfs/dbraw/zinc/56/87/38/965568738.db2.gz JUZKDJJJDYCNEI-YNEHKIRRSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)cs1 ZINC000699489692 965915520 /nfs/dbraw/zinc/91/55/20/965915520.db2.gz LAWMWDQSSWCROW-UHFFFAOYSA-N 2 1 248.779 1.809 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205255528 967446026 /nfs/dbraw/zinc/44/60/26/967446026.db2.gz JYDSDLQNJUVLAH-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001205255528 967446034 /nfs/dbraw/zinc/44/60/34/967446034.db2.gz JYDSDLQNJUVLAH-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP CCC1(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)COC1 ZINC001205536927 967670633 /nfs/dbraw/zinc/67/06/33/967670633.db2.gz CHTXYAVQMLYRSQ-ZDUSSCGKSA-N 2 1 244.354 1.566 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnoc2)CCC[C@@H]1C[NH3+] ZINC001205996378 967948556 /nfs/dbraw/zinc/94/85/56/967948556.db2.gz WPTJUUYPYWGMND-ZYHUDNBSSA-N 2 1 223.320 1.481 20 0 BDADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207279994 968703772 /nfs/dbraw/zinc/70/37/72/968703772.db2.gz QQIAYBXHTZEIHA-LLVKDONJSA-N 2 1 242.363 1.069 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001207393913 968750191 /nfs/dbraw/zinc/75/01/91/968750191.db2.gz FBBDFSAUPHLDKW-NEPJUHHUSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001207487438 968797488 /nfs/dbraw/zinc/79/74/88/968797488.db2.gz IZJPVWPYAQPCPM-OLZOCXBDSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001207487438 968797497 /nfs/dbraw/zinc/79/74/97/968797497.db2.gz IZJPVWPYAQPCPM-OLZOCXBDSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000336672310 968825655 /nfs/dbraw/zinc/82/56/55/968825655.db2.gz JYOXHCAXJDKZTK-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107924 969002369 /nfs/dbraw/zinc/00/23/69/969002369.db2.gz NHAFFUUOHWDUCT-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CCCO1 ZINC001208105631 969003509 /nfs/dbraw/zinc/00/35/09/969003509.db2.gz APHWJDQPNVWYEA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CN1CC[C@H]([N@@H+](C)CC2(C)CC[NH+](C)CC2)C1 ZINC001208112884 969009454 /nfs/dbraw/zinc/00/94/54/969009454.db2.gz BSUBLGCJKNBDDY-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC001208605083 969155541 /nfs/dbraw/zinc/15/55/41/969155541.db2.gz YJFUMCGNRWPQLC-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](CCOC)C[C@@H]1CCC[NH+](C)C1 ZINC001208603875 969158308 /nfs/dbraw/zinc/15/83/08/969158308.db2.gz HTQCWQBGGWCIPF-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CC[NH+](CCOC)C[C@@H]1CCC[N@H+](C)C1 ZINC001208603875 969158313 /nfs/dbraw/zinc/15/83/13/969158313.db2.gz HTQCWQBGGWCIPF-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CC[NH+](CCOC)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603875 969158316 /nfs/dbraw/zinc/15/83/16/969158316.db2.gz HTQCWQBGGWCIPF-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607933 969166184 /nfs/dbraw/zinc/16/61/84/969166184.db2.gz OQNFDNSRYMPHFS-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607933 969166188 /nfs/dbraw/zinc/16/61/88/969166188.db2.gz OQNFDNSRYMPHFS-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607933 969166191 /nfs/dbraw/zinc/16/61/91/969166191.db2.gz OQNFDNSRYMPHFS-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)O[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208618201 969178775 /nfs/dbraw/zinc/17/87/75/969178775.db2.gz SMRSZLNZFAUNQK-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)O[C@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208618201 969178782 /nfs/dbraw/zinc/17/87/82/969178782.db2.gz SMRSZLNZFAUNQK-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)O[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208618201 969178786 /nfs/dbraw/zinc/17/87/86/969178786.db2.gz SMRSZLNZFAUNQK-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CSC1)C2 ZINC001169098204 969392811 /nfs/dbraw/zinc/39/28/11/969392811.db2.gz GSRFCMIQAZNOCQ-UIKWRGBMSA-N 2 1 212.362 1.317 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169099125 969394129 /nfs/dbraw/zinc/39/41/29/969394129.db2.gz NTYKRDFNCCTRQQ-HALBRFILSA-N 2 1 224.348 1.379 20 0 BDADMP COCC1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126307 969430534 /nfs/dbraw/zinc/43/05/34/969430534.db2.gz RMFQBQYNPZRNCH-CLLJXQQHSA-N 2 1 224.348 1.190 20 0 BDADMP COCC[NH+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139267 969441484 /nfs/dbraw/zinc/44/14/84/969441484.db2.gz AGLZYTIJXOUNRC-BTTYYORXSA-N 2 1 240.391 1.968 20 0 BDADMP COCC[NH+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139267 969441497 /nfs/dbraw/zinc/44/14/97/969441497.db2.gz AGLZYTIJXOUNRC-BTTYYORXSA-N 2 1 240.391 1.968 20 0 BDADMP COC(C[NH+]1CCC2(CC[N@@H+](C)C2)CC1)OC ZINC001276642533 969497615 /nfs/dbraw/zinc/49/76/15/969497615.db2.gz IPBYFZBVYUYLTQ-UHFFFAOYSA-N 2 1 242.363 1.023 20 0 BDADMP CCN1CCC([N@H+]2CCC[C@H](CO)CC2)CC1 ZINC001169247103 969532930 /nfs/dbraw/zinc/53/29/30/969532930.db2.gz ZWGDAQZIMYEDBJ-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC001169247103 969532933 /nfs/dbraw/zinc/53/29/33/969532933.db2.gz ZWGDAQZIMYEDBJ-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H](CO)CC2)CC1 ZINC001169247103 969532936 /nfs/dbraw/zinc/53/29/36/969532936.db2.gz ZWGDAQZIMYEDBJ-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CCN1CCC([N@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001169246233 969535902 /nfs/dbraw/zinc/53/59/02/969535902.db2.gz PZCCXYNDMYMUKZ-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001169246233 969535905 /nfs/dbraw/zinc/53/59/05/969535905.db2.gz PZCCXYNDMYMUKZ-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001169246233 969535912 /nfs/dbraw/zinc/53/59/12/969535912.db2.gz PZCCXYNDMYMUKZ-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](OC)C2)CC1 ZINC001169246006 969537289 /nfs/dbraw/zinc/53/72/89/969537289.db2.gz LPWIWMKVUJOVPU-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](OC)C2)CC1 ZINC001169246006 969537295 /nfs/dbraw/zinc/53/72/95/969537295.db2.gz LPWIWMKVUJOVPU-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCCC12CC2 ZINC001209726640 969578137 /nfs/dbraw/zinc/57/81/37/969578137.db2.gz IDQNJUYZKWICKP-UHFFFAOYSA-N 2 1 203.289 1.623 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCCC12CC2 ZINC001209726640 969578145 /nfs/dbraw/zinc/57/81/45/969578145.db2.gz IDQNJUYZKWICKP-UHFFFAOYSA-N 2 1 203.289 1.623 20 0 BDADMP C[C@@H]([NH3+])c1nccn1[C@H]1CCC[N@@H+](C)CC1 ZINC001254498391 969663593 /nfs/dbraw/zinc/66/35/93/969663593.db2.gz YKUDECFVGPDMFU-MNOVXSKESA-N 2 1 222.336 1.560 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](F)C(C)(C)O)CC1 ZINC001254512483 969679435 /nfs/dbraw/zinc/67/94/35/969679435.db2.gz OIGMSYWFOQYZKL-GHMZBOCLSA-N 2 1 232.343 1.169 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](F)C(C)(C)O)CC1 ZINC001254512483 969679441 /nfs/dbraw/zinc/67/94/41/969679441.db2.gz OIGMSYWFOQYZKL-GHMZBOCLSA-N 2 1 232.343 1.169 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@H]1O ZINC001254517720 969695590 /nfs/dbraw/zinc/69/55/90/969695590.db2.gz YJYQCPFQMQVTHB-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CC[C@H]1O ZINC001254517720 969695598 /nfs/dbraw/zinc/69/55/98/969695598.db2.gz YJYQCPFQMQVTHB-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC[C@H]1O ZINC001254517720 969695602 /nfs/dbraw/zinc/69/56/02/969695602.db2.gz YJYQCPFQMQVTHB-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP COC[C@H]1CCC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517832 969697080 /nfs/dbraw/zinc/69/70/80/969697080.db2.gz ZAJFAUBPJUXLDG-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H]1CCC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254517832 969697084 /nfs/dbraw/zinc/69/70/84/969697084.db2.gz ZAJFAUBPJUXLDG-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP COC[C@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517832 969697087 /nfs/dbraw/zinc/69/70/87/969697087.db2.gz ZAJFAUBPJUXLDG-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](CCO)C2)CC1 ZINC001254524276 969712740 /nfs/dbraw/zinc/71/27/40/969712740.db2.gz AGABBFWKWYZNQF-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC001254524276 969712742 /nfs/dbraw/zinc/71/27/42/969712742.db2.gz AGABBFWKWYZNQF-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](CCO)C2)CC1 ZINC001254524276 969712744 /nfs/dbraw/zinc/71/27/44/969712744.db2.gz AGABBFWKWYZNQF-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCSCC2)CC1 ZINC001254521273 969709357 /nfs/dbraw/zinc/70/93/57/969709357.db2.gz USIAGPADRHZLOQ-NSHDSACASA-N 2 1 214.378 1.520 20 0 BDADMP CO[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254525798 969719209 /nfs/dbraw/zinc/71/92/09/969719209.db2.gz MFLLZWVNNKMTPC-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525798 969719217 /nfs/dbraw/zinc/71/92/17/969719217.db2.gz MFLLZWVNNKMTPC-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525798 969719223 /nfs/dbraw/zinc/71/92/23/969719223.db2.gz MFLLZWVNNKMTPC-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCN(CCC[NH+](C)C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531388 969732634 /nfs/dbraw/zinc/73/26/34/969732634.db2.gz KHSKWSYTXPUKJE-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP CC[N@H+](C)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255295853 970059539 /nfs/dbraw/zinc/05/95/39/970059539.db2.gz NJXTWSBGKZLRFP-GFCCVEGCSA-N 2 1 228.405 1.908 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255295853 970059545 /nfs/dbraw/zinc/05/95/45/970059545.db2.gz NJXTWSBGKZLRFP-GFCCVEGCSA-N 2 1 228.405 1.908 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170106167 970304703 /nfs/dbraw/zinc/30/47/03/970304703.db2.gz VTHDQPNPPTUVDY-GMTAPVOTSA-N 2 1 228.336 1.045 20 0 BDADMP C[C@H]1C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662719 970442926 /nfs/dbraw/zinc/44/29/26/970442926.db2.gz RGHTWCDQEWJELE-ZZIFITQXSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@H]1C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662719 970442929 /nfs/dbraw/zinc/44/29/29/970442929.db2.gz RGHTWCDQEWJELE-ZZIFITQXSA-N 2 1 208.349 2.000 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cncn1C ZINC001255941452 970573360 /nfs/dbraw/zinc/57/33/60/970573360.db2.gz RHTDNEUBSLKVMZ-GFCCVEGCSA-N 2 1 238.379 1.630 20 0 BDADMP CC[NH+](CC)CC[C@H](C)N[C@@H]1CCC[N@@H+](C)C1 ZINC001255944599 970574565 /nfs/dbraw/zinc/57/45/65/970574565.db2.gz WCZOMSHZADHLST-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC001255944599 970574572 /nfs/dbraw/zinc/57/45/72/970574572.db2.gz WCZOMSHZADHLST-UONOGXRCSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001255949697 970581687 /nfs/dbraw/zinc/58/16/87/970581687.db2.gz ALCZLKYYTFLZCM-RDBSUJKOSA-N 3 1 241.423 1.966 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH+]1CC(COC)C1 ZINC001255954845 970585869 /nfs/dbraw/zinc/58/58/69/970585869.db2.gz JFEFTXYJHMKSMM-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001255957079 970593505 /nfs/dbraw/zinc/59/35/05/970593505.db2.gz ORXOGGABIHNRAR-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@](C)(CO)C1 ZINC001255956507 970596964 /nfs/dbraw/zinc/59/69/64/970596964.db2.gz KUSNERYUAWSEKL-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001255961165 970602653 /nfs/dbraw/zinc/60/26/53/970602653.db2.gz VIDJTWKTPBHRKS-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400633552 970610841 /nfs/dbraw/zinc/61/08/41/970610841.db2.gz MFJLOUKNYDGELK-NTZNESFSSA-N 2 1 222.332 1.941 20 0 BDADMP C[C@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCOC1 ZINC001256071917 970631520 /nfs/dbraw/zinc/63/15/20/970631520.db2.gz SWLZOBINUSEHNB-ZDUSSCGKSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@@H]1O ZINC001256203017 970700713 /nfs/dbraw/zinc/70/07/13/970700713.db2.gz PDNVRJKSSGHQSY-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@@H]1O ZINC001256203017 970700730 /nfs/dbraw/zinc/70/07/30/970700730.db2.gz PDNVRJKSSGHQSY-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001332814685 975286605 /nfs/dbraw/zinc/28/66/05/975286605.db2.gz BOLLBTCJMTZSLN-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001173436955 975372371 /nfs/dbraw/zinc/37/23/71/975372371.db2.gz GWPKLKVTXWDZKW-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP CC[C@H]([NH3+])C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234500 979001635 /nfs/dbraw/zinc/00/16/35/979001635.db2.gz YWTZWPAPNPPJLH-UONOGXRCSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001235728092 979136554 /nfs/dbraw/zinc/13/65/54/979136554.db2.gz YYJOQMUEWMREFQ-GFCCVEGCSA-N 3 1 239.407 1.387 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981805 979242707 /nfs/dbraw/zinc/24/27/07/979242707.db2.gz XJVVNXLEFHKQMF-GXFFZTMASA-N 2 1 224.348 1.415 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981805 979242719 /nfs/dbraw/zinc/24/27/19/979242719.db2.gz XJVVNXLEFHKQMF-GXFFZTMASA-N 2 1 224.348 1.415 20 0 BDADMP C[N@@H+](C1CC1)C1CCN(CCCCO)CC1 ZINC001236093398 979385372 /nfs/dbraw/zinc/38/53/72/979385372.db2.gz GRLMQFYCCLZIMI-UHFFFAOYSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+](C1CC1)C1CC[NH+](CCCCO)CC1 ZINC001236093398 979385376 /nfs/dbraw/zinc/38/53/76/979385376.db2.gz GRLMQFYCCLZIMI-UHFFFAOYSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](C1CC1)C1CC[NH+](CCCCO)CC1 ZINC001236093398 979385382 /nfs/dbraw/zinc/38/53/82/979385382.db2.gz GRLMQFYCCLZIMI-UHFFFAOYSA-N 2 1 226.364 1.318 20 0 BDADMP CCCC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1 ZINC001236134892 979403847 /nfs/dbraw/zinc/40/38/47/979403847.db2.gz ISNBOEHBLSSNKS-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP CCCC[C@H]1CN(CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001236134892 979403851 /nfs/dbraw/zinc/40/38/51/979403851.db2.gz ISNBOEHBLSSNKS-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236210513 979449434 /nfs/dbraw/zinc/44/94/34/979449434.db2.gz DERWOQZFCIEQQF-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP CCOC(=O)C[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C[C@H]1C ZINC001237114649 979817881 /nfs/dbraw/zinc/81/78/81/979817881.db2.gz LMMRFVHBHLQUFP-UTUOFQBUSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)C[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C[C@H]1C ZINC001237114649 979817883 /nfs/dbraw/zinc/81/78/83/979817883.db2.gz LMMRFVHBHLQUFP-UTUOFQBUSA-N 2 1 242.363 1.245 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001205545984 980943876 /nfs/dbraw/zinc/94/38/76/980943876.db2.gz NYTMOILJYGJOSH-NWDGAFQWSA-N 2 1 230.327 1.318 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545619 980947895 /nfs/dbraw/zinc/94/78/95/980947895.db2.gz KRVOOFPWKOHQPQ-GRYCIOLGSA-N 2 1 214.328 1.795 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@](C)(CO)C2)CC[NH2+]C1 ZINC001349321167 981532099 /nfs/dbraw/zinc/53/20/99/981532099.db2.gz YZYXXJNPHMZJQL-CHWSQXEVSA-N 2 1 226.364 1.080 20 0 BDADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1F ZINC001327415691 972572823 /nfs/dbraw/zinc/57/28/23/972572823.db2.gz LTKKHPXKFKAWSB-GFCCVEGCSA-N 2 1 240.322 1.907 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557499 972772733 /nfs/dbraw/zinc/77/27/33/972772733.db2.gz LWWWNLNSTRUFKB-YTWAJWBKSA-N 2 1 230.302 1.701 20 0 BDADMP CC[N@H+]1CCC[C@@H](OCC2CC[NH+](C)CC2)C1 ZINC001224452966 973657696 /nfs/dbraw/zinc/65/76/96/973657696.db2.gz IEXMNRSXYXNZDL-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001256437610 970841494 /nfs/dbraw/zinc/84/14/94/970841494.db2.gz UDGBSMFGSAOSDS-UHFFFAOYSA-N 2 1 212.337 1.415 20 0 BDADMP CC(C)(C)[NH+]1CCC([NH2+]CC2CC(=O)C2)CC1 ZINC001256562621 970862858 /nfs/dbraw/zinc/86/28/58/970862858.db2.gz YEQLAJWXQPVCEW-UHFFFAOYSA-N 2 1 238.375 1.818 20 0 BDADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC001256570120 970865202 /nfs/dbraw/zinc/86/52/02/970865202.db2.gz YLCYJVAKINJUOH-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H](CO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256616123 970882048 /nfs/dbraw/zinc/88/20/48/970882048.db2.gz IRSHXANFIFOKOE-ODWCKFRGSA-N 2 1 226.364 1.220 20 0 BDADMP [NH3+][C@H]1CC[N@@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256798926 970994340 /nfs/dbraw/zinc/99/43/40/970994340.db2.gz LQUWMRVSWGOKJO-SOUVJXGZSA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+][C@H]1CC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256798926 970994346 /nfs/dbraw/zinc/99/43/46/970994346.db2.gz LQUWMRVSWGOKJO-SOUVJXGZSA-N 2 1 246.354 1.940 20 0 BDADMP OCCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895424 971016382 /nfs/dbraw/zinc/01/63/82/971016382.db2.gz DAIWEIRVAFARSU-CYBMUJFWSA-N 2 1 240.391 1.756 20 0 BDADMP OCCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895424 971016392 /nfs/dbraw/zinc/01/63/92/971016392.db2.gz DAIWEIRVAFARSU-CYBMUJFWSA-N 2 1 240.391 1.756 20 0 BDADMP COC[C@H]1CCC[N@@H+]1C1CC[NH+](C(C)C)CC1 ZINC001257213144 971129628 /nfs/dbraw/zinc/12/96/28/971129628.db2.gz HRPOFCKWSIJUCG-CQSZACIVSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@H]1CCC[N@H+]1C1CC[NH+](C(C)C)CC1 ZINC001257213144 971129630 /nfs/dbraw/zinc/12/96/30/971129630.db2.gz HRPOFCKWSIJUCG-CQSZACIVSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@H]1CC[N@@H+]1C1CC[NH+](C(C)C)CC1 ZINC001257223446 971135119 /nfs/dbraw/zinc/13/51/19/971135119.db2.gz PNTOVPYSRXCNSN-CYBMUJFWSA-N 2 1 226.364 1.580 20 0 BDADMP COC[C@H]1CC[N@H+]1C1CC[NH+](C(C)C)CC1 ZINC001257223446 971135122 /nfs/dbraw/zinc/13/51/22/971135122.db2.gz PNTOVPYSRXCNSN-CYBMUJFWSA-N 2 1 226.364 1.580 20 0 BDADMP CCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001257307388 971196634 /nfs/dbraw/zinc/19/66/34/971196634.db2.gz KSGHYNVVBKWHNJ-MNOVXSKESA-N 2 1 230.352 1.435 20 0 BDADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C12CCC2 ZINC000405222617 971214925 /nfs/dbraw/zinc/21/49/25/971214925.db2.gz NFOLSOXBKAOUMV-RQJABVFESA-N 2 1 249.402 1.473 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241007 971220769 /nfs/dbraw/zinc/22/07/69/971220769.db2.gz BBKWPHORIJYHHH-NWDGAFQWSA-N 3 1 234.347 1.051 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)o1 ZINC000405274468 971228382 /nfs/dbraw/zinc/22/83/82/971228382.db2.gz QQEXKGTYYQYRKM-RYUDHWBXSA-N 2 1 220.316 1.948 20 0 BDADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000405483156 971265679 /nfs/dbraw/zinc/26/56/79/971265679.db2.gz NLNHPKNTGXLEIM-RTXFEEFZSA-N 2 1 235.375 1.083 20 0 BDADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000405483160 971267738 /nfs/dbraw/zinc/26/77/38/971267738.db2.gz NLNHPKNTGXLEIM-UHTWSYAYSA-N 2 1 235.375 1.083 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405536945 971269735 /nfs/dbraw/zinc/26/97/35/971269735.db2.gz ZUIJSZXVQCNDAQ-NEPJUHHUSA-N 2 1 235.331 1.651 20 0 BDADMP C[C@@H]1OC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000405701127 971297266 /nfs/dbraw/zinc/29/72/66/971297266.db2.gz YXSWYZAUQLIEOJ-UHIISALHSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000405795344 971303716 /nfs/dbraw/zinc/30/37/16/971303716.db2.gz UDTQHXDEMKETAR-FRRDWIJNSA-N 2 1 228.380 1.730 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CCc2[nH+]ccn2C1 ZINC001224932308 974080951 /nfs/dbraw/zinc/08/09/51/974080951.db2.gz YDMINKPNOWQJGW-LBPRGKRZSA-N 2 1 237.347 1.556 20 0 BDADMP C[C@@H](C[NH+]1CCOCC1)OCCCC[NH+](C)C ZINC001224990525 974118947 /nfs/dbraw/zinc/11/89/47/974118947.db2.gz AFBHIXHPRBSECN-ZDUSSCGKSA-N 2 1 244.379 1.066 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@H]1CCC[NH2+]C1)C2 ZINC001217821248 971418069 /nfs/dbraw/zinc/41/80/69/971418069.db2.gz GOPQLDJDOUUETK-IGQOVBAYSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCCSC1 ZINC001257657717 971459364 /nfs/dbraw/zinc/45/93/64/971459364.db2.gz KVSNSVLTBMAARL-JTQLQIEISA-N 2 1 225.361 1.761 20 0 BDADMP CC[N@H+]1CCC[C@@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217889982 971487692 /nfs/dbraw/zinc/48/76/92/971487692.db2.gz JWQDXZPDGDKUQE-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+]([C@H]1CCCSC1)CC2 ZINC001257679509 971488012 /nfs/dbraw/zinc/48/80/12/971488012.db2.gz DPDNMDSAWNMKHT-NSHDSACASA-N 2 1 237.372 1.637 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+]([C@H]1CCCSC1)CC2 ZINC001257679509 971488018 /nfs/dbraw/zinc/48/80/18/971488018.db2.gz DPDNMDSAWNMKHT-NSHDSACASA-N 2 1 237.372 1.637 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+]C[C@H](C)C[NH3+])CC1 ZINC001258004051 971553659 /nfs/dbraw/zinc/55/36/59/971553659.db2.gz AEQNKUWRNUZDJH-GFCCVEGCSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@H]([NH3+])c1ccc(O[C@H]2C[NH2+]CC2(F)F)cc1 ZINC001218237323 971645892 /nfs/dbraw/zinc/64/58/92/971645892.db2.gz NSXXBLQXQUUZHM-KWQFWETISA-N 2 1 242.269 1.692 20 0 BDADMP CC1(C)[C@@H]2C[C@@H](n3c[nH+]cc3C[C@@H]([NH3+])CO)C[C@@H]21 ZINC001170724426 971655718 /nfs/dbraw/zinc/65/57/18/971655718.db2.gz JRYITJWIGVCTSL-WFFHOREQSA-N 2 1 249.358 1.352 20 0 BDADMP COCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206155975 974339360 /nfs/dbraw/zinc/33/93/60/974339360.db2.gz NPMSTYKULGISGK-QWRGUYRKSA-N 2 1 218.316 1.174 20 0 BDADMP COCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206155975 974339371 /nfs/dbraw/zinc/33/93/71/974339371.db2.gz NPMSTYKULGISGK-QWRGUYRKSA-N 2 1 218.316 1.174 20 0 BDADMP C[C@@H](CO)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118609 974378574 /nfs/dbraw/zinc/37/85/74/974378574.db2.gz SCVCQNCPAGDUEK-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](C[NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119215 974379839 /nfs/dbraw/zinc/37/98/39/974379839.db2.gz WDSUHVXXQMHMSL-IGQOVBAYSA-N 2 1 239.407 1.528 20 0 BDADMP Cc1ccc(NCCN(C)CC[NH3+])[nH+]c1C ZINC001159439221 971857985 /nfs/dbraw/zinc/85/79/85/971857985.db2.gz OBYKWPQZPRMJOK-UHFFFAOYSA-N 2 1 222.336 1.001 20 0 BDADMP Cc1cc(NCC[C@@H](C)[NH3+])c2[nH+]ccn2c1 ZINC001170890921 972041788 /nfs/dbraw/zinc/04/17/88/972041788.db2.gz LJZLIMWECPIIDO-SNVBAGLBSA-N 2 1 218.304 1.792 20 0 BDADMP N[C@@H](CCC[NH3+])Nc1cc[nH+]c(C2CC2)c1 ZINC001170902466 972077902 /nfs/dbraw/zinc/07/79/02/972077902.db2.gz CWNPQDVPACOARB-GFCCVEGCSA-N 2 1 220.320 1.395 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246024465 972118295 /nfs/dbraw/zinc/11/82/95/972118295.db2.gz VTNNPVFHXMNDEZ-XQQFMLRXSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2F)CC[NH2+]1 ZINC001246091046 972145832 /nfs/dbraw/zinc/14/58/32/972145832.db2.gz BAKGZVABTHMDRK-IRCOFANPSA-N 2 1 214.328 1.997 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246095515 972148435 /nfs/dbraw/zinc/14/84/35/972148435.db2.gz BLPFLHFPLATWEM-QSLWVIQJSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCC[N@@H+](C)CC1 ZINC001246108506 972171836 /nfs/dbraw/zinc/17/18/36/972171836.db2.gz IIYZXXUWRZSSRD-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001246108506 972171841 /nfs/dbraw/zinc/17/18/41/972171841.db2.gz IIYZXXUWRZSSRD-MELADBBJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001246108506 972171846 /nfs/dbraw/zinc/17/18/46/972171846.db2.gz IIYZXXUWRZSSRD-MELADBBJSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246104964 972166151 /nfs/dbraw/zinc/16/61/51/972166151.db2.gz AGYOFFQQOXFSPJ-YNEHKIRRSA-N 3 1 225.380 1.106 20 0 BDADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246129217 972188357 /nfs/dbraw/zinc/18/83/57/972188357.db2.gz QQRZALPDNJQKPC-STQMWFEESA-N 2 1 228.380 1.779 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186725 972213589 /nfs/dbraw/zinc/21/35/89/972213589.db2.gz GXNFPKQVVZLGOE-SDDRHHMPSA-N 2 1 240.347 1.060 20 0 BDADMP Cc1nc(N)ccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246200335 972214972 /nfs/dbraw/zinc/21/49/72/972214972.db2.gz PTVIDFLCOAFZMI-SKDRFNHKSA-N 2 1 234.347 1.202 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCOCC2)C1 ZINC001208603285 957084723 /nfs/dbraw/zinc/08/47/23/957084723.db2.gz ABFJGWFQJRWMJP-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCOCC2)C1 ZINC001208603285 957084738 /nfs/dbraw/zinc/08/47/38/957084738.db2.gz ABFJGWFQJRWMJP-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCOCC2)C1 ZINC001208603285 957084750 /nfs/dbraw/zinc/08/47/50/957084750.db2.gz ABFJGWFQJRWMJP-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](O)[C@@H](F)CC2)C1 ZINC001208607279 957086621 /nfs/dbraw/zinc/08/66/21/957086621.db2.gz LHTQJTXXEDVXMC-RWMBFGLXSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)C1 ZINC001208607279 957086637 /nfs/dbraw/zinc/08/66/37/957086637.db2.gz LHTQJTXXEDVXMC-RWMBFGLXSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)C1 ZINC001208607279 957086648 /nfs/dbraw/zinc/08/66/48/957086648.db2.gz LHTQJTXXEDVXMC-RWMBFGLXSA-N 2 1 244.354 1.123 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cncnc1 ZINC001246234725 972240416 /nfs/dbraw/zinc/24/04/16/972240416.db2.gz WMBXZBXUMVEKNS-MDFVCYEDSA-N 2 1 232.331 1.410 20 0 BDADMP CC[N@H+]1CCN(C[C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001208612519 957099957 /nfs/dbraw/zinc/09/99/57/957099957.db2.gz BIIRRFQHURZFDU-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC001208612519 957099969 /nfs/dbraw/zinc/09/99/69/957099969.db2.gz BIIRRFQHURZFDU-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCN(C[C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC001208612519 957099979 /nfs/dbraw/zinc/09/99/79/957099979.db2.gz BIIRRFQHURZFDU-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@@H+](CCCOC)CCC[NH+](C)C ZINC001209055357 957307103 /nfs/dbraw/zinc/30/71/03/957307103.db2.gz WYYZIJHZEYLCOH-UHFFFAOYSA-N 2 1 202.342 1.297 20 0 BDADMP Cc1c(N)cc[nH+]c1N[C@H]1CC[N@H+](C)C1 ZINC001167270239 957611881 /nfs/dbraw/zinc/61/18/81/957611881.db2.gz PIOKVHRRXIKSRU-VIFPVBQESA-N 2 1 206.293 1.088 20 0 BDADMP C[N@H+]1CC[C@H](Nc2[nH+]ccc3c2CCN3)C1 ZINC001167270210 957612126 /nfs/dbraw/zinc/61/21/26/957612126.db2.gz NRXQIRDYSTXVRK-VIFPVBQESA-N 2 1 218.304 1.166 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)CC(C)(C)CC[NH3+] ZINC001246339197 972298721 /nfs/dbraw/zinc/29/87/21/972298721.db2.gz OWIYIPMNNSUCGQ-OLZOCXBDSA-N 3 1 241.423 1.729 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cncn2C2CCC2)CC[NH2+]1 ZINC001246389324 972307454 /nfs/dbraw/zinc/30/74/54/972307454.db2.gz AKKXLZVGEYEKAM-VXGBXAGGSA-N 2 1 248.374 1.838 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CN(c3ccccn3)C2)CC[NH2+]1 ZINC001246368113 972308123 /nfs/dbraw/zinc/30/81/23/972308123.db2.gz NXNYSSFWVZDFNW-NWDGAFQWSA-N 2 1 246.358 1.000 20 0 BDADMP C[C@H]1CC([NH2+]CCC[NH2+]CCC[NH3+])C[C@H](C)C1 ZINC001246452698 972323427 /nfs/dbraw/zinc/32/34/27/972323427.db2.gz LVWXDUIYCQPUSD-CHWSQXEVSA-N 3 1 241.423 1.729 20 0 BDADMP CCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486153 972353519 /nfs/dbraw/zinc/35/35/19/972353519.db2.gz DEGOQWADXBZKJX-ZIAGYGMSSA-N 2 1 241.423 1.886 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)(C)O)CC[NH2+]1 ZINC000707564116 958588985 /nfs/dbraw/zinc/58/89/85/958588985.db2.gz KIWREYDVEYAZHL-UTUOFQBUSA-N 2 1 226.364 1.362 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CC1CC[NH2+]CC1 ZINC000724151257 958743688 /nfs/dbraw/zinc/74/36/88/958743688.db2.gz FMWDBTXGVBMVJR-NWDGAFQWSA-N 2 1 212.337 1.095 20 0 BDADMP CCC[N@H+](CC(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693578090 958868048 /nfs/dbraw/zinc/86/80/48/958868048.db2.gz IMCDYURANITQLL-DTORHVGOSA-N 2 1 206.280 1.701 20 0 BDADMP CCC[N@@H+](CC(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693578090 958868052 /nfs/dbraw/zinc/86/80/52/958868052.db2.gz IMCDYURANITQLL-DTORHVGOSA-N 2 1 206.280 1.701 20 0 BDADMP CC(C)[N@H+](CC(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693579192 958869099 /nfs/dbraw/zinc/86/90/99/958869099.db2.gz NSZVOSFVCLRVIO-DTORHVGOSA-N 2 1 206.280 1.699 20 0 BDADMP CC(C)[N@@H+](CC(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693579192 958869104 /nfs/dbraw/zinc/86/91/04/958869104.db2.gz NSZVOSFVCLRVIO-DTORHVGOSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC(C)(C)O1 ZINC000693581599 958869960 /nfs/dbraw/zinc/86/99/60/958869960.db2.gz XYBWPGFKAIFYDK-GARJFASQSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000693585282 958889367 /nfs/dbraw/zinc/88/93/67/958889367.db2.gz LEYVNWCMDSOSHV-WISYIIOYSA-N 2 1 212.337 1.223 20 0 BDADMP C[N@H+](C1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246525724 972414114 /nfs/dbraw/zinc/41/41/14/972414114.db2.gz KUDLMEPZYVRXSF-ULKQDVFKSA-N 2 1 230.302 1.999 20 0 BDADMP C[N@@H+](C1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246525724 972414127 /nfs/dbraw/zinc/41/41/27/972414127.db2.gz KUDLMEPZYVRXSF-ULKQDVFKSA-N 2 1 230.302 1.999 20 0 BDADMP c1cnn(CCC[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222231612 972415538 /nfs/dbraw/zinc/41/55/38/972415538.db2.gz OBHVZNYUFKLIDA-CQSZACIVSA-N 2 1 248.374 1.491 20 0 BDADMP c1cnn(CCC[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222231612 972415542 /nfs/dbraw/zinc/41/55/42/972415542.db2.gz OBHVZNYUFKLIDA-CQSZACIVSA-N 2 1 248.374 1.491 20 0 BDADMP CCC1(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)COC1 ZINC001222231091 972414719 /nfs/dbraw/zinc/41/47/19/972414719.db2.gz IXKARJDJLAUTND-CQSZACIVSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1CC1CC[NH2+]CC1 ZINC000708438673 959435901 /nfs/dbraw/zinc/43/59/01/959435901.db2.gz JTCFSEJADAWCRQ-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CO[C@H]1C ZINC000405562677 959459779 /nfs/dbraw/zinc/45/97/79/959459779.db2.gz ARABXHXDVHKTKV-QNSTZXKLSA-N 2 1 238.375 1.626 20 0 BDADMP CCN(CCC[NH+](C)C)Cc1[nH]c(C)[nH+]c1C ZINC000724783140 959492753 /nfs/dbraw/zinc/49/27/53/959492753.db2.gz XHXFLDMICZMVNL-UHFFFAOYSA-N 2 1 238.379 1.800 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCOC2)CCC1(F)F ZINC000708501084 959524506 /nfs/dbraw/zinc/52/45/06/959524506.db2.gz AWODCCGLOKSNFO-MNOVXSKESA-N 2 1 248.317 1.329 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC000053031255 959569832 /nfs/dbraw/zinc/56/98/32/959569832.db2.gz YYHYZGWPCDUQJT-CYBMUJFWSA-N 2 1 236.334 1.910 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCC[C@H]3C2)C[NH2+]1 ZINC000724815194 959742868 /nfs/dbraw/zinc/74/28/68/959742868.db2.gz WNZSGHXYZBNPSW-VOAKCMCISA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3OCC[C@H]3C2)C[NH2+]1 ZINC000724815194 959742882 /nfs/dbraw/zinc/74/28/82/959742882.db2.gz WNZSGHXYZBNPSW-VOAKCMCISA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+](C[C@H](O)CC1CCCC1)[C@H](C[NH3+])C1CC1 ZINC000300025446 959779329 /nfs/dbraw/zinc/77/93/29/959779329.db2.gz BSXSLTUYOSJKAO-ZIAGYGMSSA-N 2 1 240.391 1.597 20 0 BDADMP C[N@@H+](C[C@H](O)CC1CCCC1)[C@H](C[NH3+])C1CC1 ZINC000300025446 959779342 /nfs/dbraw/zinc/77/93/42/959779342.db2.gz BSXSLTUYOSJKAO-ZIAGYGMSSA-N 2 1 240.391 1.597 20 0 BDADMP C[C@@H]1CC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)O1 ZINC000694767080 959992908 /nfs/dbraw/zinc/99/29/08/959992908.db2.gz XMVJWXYBFFCVCS-PRULPYPASA-N 2 1 226.364 1.673 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708875796 960003674 /nfs/dbraw/zinc/00/36/74/960003674.db2.gz DCOQTIBUIFDGLD-WDEREUQCSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1cncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000310181553 960175573 /nfs/dbraw/zinc/17/55/73/960175573.db2.gz XHSSSTZLXTVGJO-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001222461247 972502564 /nfs/dbraw/zinc/50/25/64/972502564.db2.gz PSYIZCSVVMVCPG-CHWSQXEVSA-N 2 1 220.360 1.884 20 0 BDADMP CO[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801204 960589690 /nfs/dbraw/zinc/58/96/90/960589690.db2.gz FJKVFODBGSAMLG-NSHDSACASA-N 2 1 231.299 1.784 20 0 BDADMP CO[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801204 960589708 /nfs/dbraw/zinc/58/97/08/960589708.db2.gz FJKVFODBGSAMLG-NSHDSACASA-N 2 1 231.299 1.784 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccoc1 ZINC000692776935 960650215 /nfs/dbraw/zinc/65/02/15/960650215.db2.gz GSTVASMEFKKAQG-CMPLNLGQSA-N 2 1 208.305 1.552 20 0 BDADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCC[NH2+]CC1 ZINC001204654958 960985470 /nfs/dbraw/zinc/98/54/70/960985470.db2.gz JXFWZMGZOWTGAH-GFCCVEGCSA-N 2 1 242.363 1.261 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000250598273 961464495 /nfs/dbraw/zinc/46/44/95/961464495.db2.gz JHMUZKBZONZGNM-ZLMOABSSSA-N 2 1 238.375 1.769 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167903063 961690464 /nfs/dbraw/zinc/69/04/64/961690464.db2.gz SBVGXQZAVJZNHI-NOOOWODRSA-N 2 1 240.347 1.045 20 0 BDADMP Cc1c[nH+]c(N2CC3(C2)CCC[NH2+]C3)c(C)c1 ZINC000709930879 961891394 /nfs/dbraw/zinc/89/13/94/961891394.db2.gz MZWLLQJRMZQBBF-UHFFFAOYSA-N 2 1 231.343 1.888 20 0 BDADMP Nc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206631849 962126914 /nfs/dbraw/zinc/12/69/14/962126914.db2.gz AZQCJQFJOSRSJR-ZDUSSCGKSA-N 2 1 233.359 1.830 20 0 BDADMP Nc1ncccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632906 962144476 /nfs/dbraw/zinc/14/44/76/962144476.db2.gz QQWLENKAAFLSKR-LLVKDONJSA-N 2 1 234.347 1.225 20 0 BDADMP Cc1cccnc1CCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000710589963 962415561 /nfs/dbraw/zinc/41/55/61/962415561.db2.gz JKCJUFDXYBBTID-CYBMUJFWSA-N 2 1 233.359 1.664 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(N)[nH+]cn1 ZINC001155031143 962945492 /nfs/dbraw/zinc/94/54/92/962945492.db2.gz LLOOCMUDIDOENB-ZJUUUORDSA-N 2 1 235.335 1.106 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(N)nc[nH+]1 ZINC001155031143 962945504 /nfs/dbraw/zinc/94/55/04/962945504.db2.gz LLOOCMUDIDOENB-ZJUUUORDSA-N 2 1 235.335 1.106 20 0 BDADMP C[C@@H]1C[C@@H](CNc2[nH+]cccc2N)C[NH2+]1 ZINC001155101328 962976796 /nfs/dbraw/zinc/97/67/96/962976796.db2.gz VJSMCZZGYGIXHM-RKDXNWHRSA-N 2 1 206.293 1.074 20 0 BDADMP CN1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964524 962993224 /nfs/dbraw/zinc/99/32/24/962993224.db2.gz RVNNCNPQQKSEAH-LQDVMPOASA-N 2 1 249.402 1.295 20 0 BDADMP CN1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964524 962993238 /nfs/dbraw/zinc/99/32/38/962993238.db2.gz RVNNCNPQQKSEAH-LQDVMPOASA-N 2 1 249.402 1.295 20 0 BDADMP Nc1ccc[nH+]c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155583542 963118457 /nfs/dbraw/zinc/11/84/57/963118457.db2.gz LWVROZXSKGLONA-YWVKMMECSA-N 2 1 218.304 1.074 20 0 BDADMP Cc1[nH+]c(-n2ccnc2CC[NH3+])cc2[nH]ccc21 ZINC001156484307 963366877 /nfs/dbraw/zinc/36/68/77/963366877.db2.gz MNBJTTABLYIAEK-UHFFFAOYSA-N 2 1 241.298 1.558 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCO[C@@H](C)C1 ZINC001168075991 963615701 /nfs/dbraw/zinc/61/57/01/963615701.db2.gz UUXSOXZLAQROEE-QWRGUYRKSA-N 2 1 223.320 1.433 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168076654 963618654 /nfs/dbraw/zinc/61/86/54/963618654.db2.gz ZBTCGFHPWPIASL-YHQUGGNUSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001168093787 963697309 /nfs/dbraw/zinc/69/73/09/963697309.db2.gz XSROZSUXWIDVPT-YNEHKIRRSA-N 2 1 226.364 1.628 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697089180 963720286 /nfs/dbraw/zinc/72/02/86/963720286.db2.gz VCAWIBLSFDXSGE-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+]1CCN(c2cccc(N)[nH+]2)C2(CCCC2)C1 ZINC001158409243 963859746 /nfs/dbraw/zinc/85/97/46/963859746.db2.gz YIQHJFKONDYLNN-UHFFFAOYSA-N 2 1 246.358 1.728 20 0 BDADMP C[N@H+]1CCN(c2cccc(N)[nH+]2)C2(CCCC2)C1 ZINC001158409243 963859752 /nfs/dbraw/zinc/85/97/52/963859752.db2.gz YIQHJFKONDYLNN-UHFFFAOYSA-N 2 1 246.358 1.728 20 0 BDADMP COc1ccc(C)[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC001158627245 963895496 /nfs/dbraw/zinc/89/54/96/963895496.db2.gz GNYLZRHBOXIECS-LLVKDONJSA-N 2 1 235.331 1.953 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN(Cc2cncn2C)C1 ZINC001204386722 963923745 /nfs/dbraw/zinc/92/37/45/963923745.db2.gz YRAULHBRVZQGLF-LBPRGKRZSA-N 2 1 236.363 1.335 20 0 BDADMP Cc1c[nH]c2nc(NC3(C)CC[NH2+]CC3)[nH+]cc12 ZINC001168182717 963936185 /nfs/dbraw/zinc/93/61/85/963936185.db2.gz YWNJEZXPDQKMLG-UHFFFAOYSA-N 2 1 245.330 1.772 20 0 BDADMP C[NH+]1CC(CNc2nc(NC3CC3)cc[nH+]2)C1 ZINC001159216161 964015324 /nfs/dbraw/zinc/01/53/24/964015324.db2.gz GXTDTZJTTVAGTF-UHFFFAOYSA-N 2 1 233.319 1.024 20 0 BDADMP Nc1ccc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC001159281174 964047788 /nfs/dbraw/zinc/04/77/88/964047788.db2.gz PVMOSMFPUABSOM-BDAKNGLRSA-N 2 1 216.288 1.484 20 0 BDADMP Cc1cc2[nH+]ccn2cc1-n1cc(C[NH3+])cn1 ZINC001168262567 964095382 /nfs/dbraw/zinc/09/53/82/964095382.db2.gz VAHZFTLGIRRQIY-UHFFFAOYSA-N 2 1 227.271 1.287 20 0 BDADMP CC(=O)Nc1c(C)cc[nH+]c1NCC[C@@H](C)[NH3+] ZINC001159779158 964190374 /nfs/dbraw/zinc/19/03/74/964190374.db2.gz UVOYWPJWEITZBZ-SECBINFHSA-N 2 1 236.319 1.498 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC001168316095 964435461 /nfs/dbraw/zinc/43/54/61/964435461.db2.gz VRKHPWJGGUIWCN-IYXRBSQSSA-N 2 1 240.391 1.564 20 0 BDADMP COC(=O)[C@@H](C)[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168324785 964446405 /nfs/dbraw/zinc/44/64/05/964446405.db2.gz XFKRVRHEDREPLT-VOMCLLRMSA-N 2 1 242.363 1.353 20 0 BDADMP CC[N@@H+](CCC(N)=O)C1CCC([NH+](C)C)CC1 ZINC001168323211 964447589 /nfs/dbraw/zinc/44/75/89/964447589.db2.gz VBFHCVSADBFIKX-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP Cc1c[nH+]c(NC/C=C/C[NH3+])nc1NC(C)C ZINC001160978198 964467812 /nfs/dbraw/zinc/46/78/12/964467812.db2.gz ZOTRMNZAMRFSAQ-SNAWJCMRSA-N 2 1 235.335 1.532 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)C[NH+](C)C ZINC000926958897 964523839 /nfs/dbraw/zinc/52/38/39/964523839.db2.gz IGJWZCBECPDSIH-HZSPNIEDSA-N 2 1 240.391 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)C[NH+](C)C ZINC000926958898 964526838 /nfs/dbraw/zinc/52/68/38/964526838.db2.gz IGJWZCBECPDSIH-MCIONIFRSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1ncsc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697887052 964632758 /nfs/dbraw/zinc/63/27/58/964632758.db2.gz KFJXJVFLLVIPGB-SECBINFHSA-N 2 1 227.377 1.881 20 0 BDADMP Cn1ccc2c1[nH+]ccc2-n1cnc(C[NH3+])c1 ZINC001162304720 964918954 /nfs/dbraw/zinc/91/89/54/964918954.db2.gz RDNDQLWASLVOJG-UHFFFAOYSA-N 2 1 227.271 1.218 20 0 BDADMP [NH3+]Cc1cn(-c2cc[nH+]cc2C(F)(F)F)cn1 ZINC001162302658 964920065 /nfs/dbraw/zinc/92/00/65/964920065.db2.gz YVOJRYSWKMFHLN-UHFFFAOYSA-N 2 1 242.204 1.745 20 0 BDADMP COc1[nH+]ccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1N ZINC001162396566 964956194 /nfs/dbraw/zinc/95/61/94/964956194.db2.gz LKIJHSJXAZPVNU-BDAKNGLRSA-N 2 1 236.319 1.354 20 0 BDADMP C[C@@H]1C[C@@H](CNc2[nH+]cnc3[nH]ccc32)C[NH2+]1 ZINC001162553199 965043696 /nfs/dbraw/zinc/04/36/96/965043696.db2.gz XXVXPDJRUUFNRL-RKDXNWHRSA-N 2 1 231.303 1.368 20 0 BDADMP C[C@@H]1C[C@@H](CNc2c[nH+]c3c(c2)CCCN3)C[NH2+]1 ZINC001162562392 965052467 /nfs/dbraw/zinc/05/24/67/965052467.db2.gz ITKZKQMNRJUTGJ-GHMZBOCLSA-N 2 1 246.358 1.137 20 0 BDADMP C1=C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000698205080 965105880 /nfs/dbraw/zinc/10/58/80/965105880.db2.gz NMYDZAAWFJFNCH-YNEHKIRRSA-N 2 1 206.333 1.921 20 0 BDADMP CC(C)N(c1cc[nH+]c(N)n1)C(C)(C)C[NH3+] ZINC001163188049 965292699 /nfs/dbraw/zinc/29/26/99/965292699.db2.gz KXIJXLQLFPDYIT-UHFFFAOYSA-N 2 1 223.324 1.011 20 0 BDADMP COc1[nH+]ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1N ZINC001163262500 965320197 /nfs/dbraw/zinc/32/01/97/965320197.db2.gz CSCUVOXFENSKNA-UTLUCORTSA-N 2 1 248.330 1.082 20 0 BDADMP CCc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)on1 ZINC001205095189 965738723 /nfs/dbraw/zinc/73/87/23/965738723.db2.gz VDRBOGFAYPETJX-JTQLQIEISA-N 2 1 223.320 1.550 20 0 BDADMP CCc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)on1 ZINC001205095189 965738734 /nfs/dbraw/zinc/73/87/34/965738734.db2.gz VDRBOGFAYPETJX-JTQLQIEISA-N 2 1 223.320 1.550 20 0 BDADMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205101192 965801637 /nfs/dbraw/zinc/80/16/37/965801637.db2.gz BFKHSXUWGQXSRZ-ZDUSSCGKSA-N 2 1 248.374 1.461 20 0 BDADMP C[C@@]1(C[NH3+])CCCN(c2ccc(N)c[nH+]2)CC1 ZINC001164242881 965809495 /nfs/dbraw/zinc/80/94/95/965809495.db2.gz SSOCHCZYMKHMSS-CYBMUJFWSA-N 2 1 234.347 1.619 20 0 BDADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C1(C[NH3+])CC1 ZINC001168475069 965861327 /nfs/dbraw/zinc/86/13/27/965861327.db2.gz WIIZZTYUEFAVNX-JTQLQIEISA-N 2 1 222.307 1.838 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCN3)CC1 ZINC001205117784 965872193 /nfs/dbraw/zinc/87/21/93/965872193.db2.gz VGMVNBUKKHBPFO-CQSZACIVSA-N 2 1 245.370 1.968 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2COC[C@H]2CC)C1 ZINC000699485282 965912611 /nfs/dbraw/zinc/91/26/11/965912611.db2.gz OEBKMRWOZVLXID-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000699491951 965918227 /nfs/dbraw/zinc/91/82/27/965918227.db2.gz HNRLJIILCPVVKQ-FZMZJTMJSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000699529045 965940769 /nfs/dbraw/zinc/94/07/69/965940769.db2.gz ABGFJNWIVJOOBN-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000699529045 965940784 /nfs/dbraw/zinc/94/07/84/965940784.db2.gz ABGFJNWIVJOOBN-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP COc1ccc(CC[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206710792 966186200 /nfs/dbraw/zinc/18/62/00/966186200.db2.gz AAUFELNYLVAKNQ-UHFFFAOYSA-N 2 1 234.343 1.518 20 0 BDADMP COC1CCC(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235976832 966193644 /nfs/dbraw/zinc/19/36/44/966193644.db2.gz CCNWZIROQHIWGS-YIOUJQMASA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1CN(Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001235987052 966201861 /nfs/dbraw/zinc/20/18/61/966201861.db2.gz FNZHLVFBAQIPLD-BXUZGUMPSA-N 2 1 242.326 1.486 20 0 BDADMP OC[C@@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000253172188 966212635 /nfs/dbraw/zinc/21/26/35/966212635.db2.gz JRCSPFCDEYIWIL-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc(N)c2)C1 ZINC001236045846 966251191 /nfs/dbraw/zinc/25/11/91/966251191.db2.gz DISNOOLBBSPUEL-GXFFZTMASA-N 2 1 219.332 1.438 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc(N)c2)C1 ZINC001236045846 966251202 /nfs/dbraw/zinc/25/12/02/966251202.db2.gz DISNOOLBBSPUEL-GXFFZTMASA-N 2 1 219.332 1.438 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1Cc1[nH+]cc2ccccn21 ZINC001205177510 966271530 /nfs/dbraw/zinc/27/15/30/966271530.db2.gz OCRPASQLVUTFRA-ZYHUDNBSSA-N 2 1 230.315 1.256 20 0 BDADMP CC1(C)C[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC001236169872 966284256 /nfs/dbraw/zinc/28/42/56/966284256.db2.gz POICTPSCWZUSBC-QWRGUYRKSA-N 2 1 212.337 1.225 20 0 BDADMP CC1(C)C[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC001236169872 966284267 /nfs/dbraw/zinc/28/42/67/966284267.db2.gz POICTPSCWZUSBC-QWRGUYRKSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216650 966314529 /nfs/dbraw/zinc/31/45/29/966314529.db2.gz LEEMBQQYGJUQEM-LSDHHAIUSA-N 3 1 247.386 1.847 20 0 BDADMP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216650 966314543 /nfs/dbraw/zinc/31/45/43/966314543.db2.gz LEEMBQQYGJUQEM-LSDHHAIUSA-N 3 1 247.386 1.847 20 0 BDADMP CCc1n[nH]cc1CN1C[C@@H]2C[N@@H+](CC)C[C@@H]2C1 ZINC001237655993 966687995 /nfs/dbraw/zinc/68/79/95/966687995.db2.gz SGBJVXIHHFRZKL-BETUJISGSA-N 2 1 248.374 1.356 20 0 BDADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccsc2)CC1 ZINC001205211542 966852101 /nfs/dbraw/zinc/85/21/01/966852101.db2.gz VXCYIJMXTYQKRS-GFCCVEGCSA-N 2 1 240.372 1.424 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001204089074 966890530 /nfs/dbraw/zinc/89/05/30/966890530.db2.gz KCFIULGDQYITSN-RRFJBIMHSA-N 2 1 245.370 1.820 20 0 BDADMP C[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCCCC1 ZINC001204597904 967094446 /nfs/dbraw/zinc/09/44/46/967094446.db2.gz BJBMYQXFQOWAHR-LBPRGKRZSA-N 2 1 226.364 1.975 20 0 BDADMP C[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCCCC1 ZINC001204597904 967094457 /nfs/dbraw/zinc/09/44/57/967094457.db2.gz BJBMYQXFQOWAHR-LBPRGKRZSA-N 2 1 226.364 1.975 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@@H+]1CCC[NH2+]CC1 ZINC001204654888 967117659 /nfs/dbraw/zinc/11/76/59/967117659.db2.gz AMYSWPIEWYIANX-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@H+]1CCC[NH2+]CC1 ZINC001204654888 967117670 /nfs/dbraw/zinc/11/76/70/967117670.db2.gz AMYSWPIEWYIANX-UHFFFAOYSA-N 2 1 242.363 1.404 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001204847775 967195520 /nfs/dbraw/zinc/19/55/20/967195520.db2.gz GGKCXOXTESALEV-VIFPVBQESA-N 2 1 224.270 1.795 20 0 BDADMP CC1(C[N@H+]2CCCC[C@@H]2CN)CC[NH2+]CC1 ZINC001204918339 967236195 /nfs/dbraw/zinc/23/61/95/967236195.db2.gz CMQLNDHXILAJOJ-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP CC1(CN2CCCC[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC001204918339 967236203 /nfs/dbraw/zinc/23/62/03/967236203.db2.gz CMQLNDHXILAJOJ-GFCCVEGCSA-N 2 1 225.380 1.189 20 0 BDADMP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)ns1 ZINC001205058887 967313600 /nfs/dbraw/zinc/31/36/00/967313600.db2.gz XEBRLFDMSRZPLM-UHFFFAOYSA-N 2 1 225.361 1.622 20 0 BDADMP CCCn1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205102643 967348180 /nfs/dbraw/zinc/34/81/80/967348180.db2.gz VCIBOGDRNMEKPL-CYBMUJFWSA-N 2 1 236.363 1.606 20 0 BDADMP CCCn1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205102643 967348191 /nfs/dbraw/zinc/34/81/91/967348191.db2.gz VCIBOGDRNMEKPL-CYBMUJFWSA-N 2 1 236.363 1.606 20 0 BDADMP COc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1N ZINC001205116644 967364454 /nfs/dbraw/zinc/36/44/54/967364454.db2.gz FJZRJEHZZHJQOB-LBPRGKRZSA-N 2 1 249.358 1.591 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cnc1F ZINC001205117284 967364804 /nfs/dbraw/zinc/36/48/04/967364804.db2.gz MUSVSUILENACBQ-LBPRGKRZSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cnc1F ZINC001205117284 967364818 /nfs/dbraw/zinc/36/48/18/967364818.db2.gz MUSVSUILENACBQ-LBPRGKRZSA-N 2 1 237.322 1.842 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)C[C@H]1C[NH3+] ZINC001205136119 967380256 /nfs/dbraw/zinc/38/02/56/967380256.db2.gz PDHPRFHWHSFVII-CMPLNLGQSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)C[C@H]1C[NH3+] ZINC001205136119 967380267 /nfs/dbraw/zinc/38/02/67/967380267.db2.gz PDHPRFHWHSFVII-CMPLNLGQSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)C[C@H]1C[NH3+] ZINC001205136119 967380273 /nfs/dbraw/zinc/38/02/73/967380273.db2.gz PDHPRFHWHSFVII-CMPLNLGQSA-N 2 1 244.342 1.590 20 0 BDADMP COc1ccnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205146186 967389033 /nfs/dbraw/zinc/38/90/33/967389033.db2.gz RXWVLGJDSIKAIR-WDEREUQCSA-N 2 1 235.331 1.117 20 0 BDADMP COc1ccnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205146186 967389046 /nfs/dbraw/zinc/38/90/46/967389046.db2.gz RXWVLGJDSIKAIR-WDEREUQCSA-N 2 1 235.331 1.117 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)NCC3)C[C@H]1C[NH3+] ZINC001205155887 967402745 /nfs/dbraw/zinc/40/27/45/967402745.db2.gz HBIKIIWKGQDHJW-SMDDNHRTSA-N 2 1 245.370 1.681 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205228350 967429484 /nfs/dbraw/zinc/42/94/84/967429484.db2.gz DHQJSUZQKIOWOX-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001205255102 967447851 /nfs/dbraw/zinc/44/78/51/967447851.db2.gz GUAFFOIYJTZTRQ-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP CCc1nccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205263959 967457719 /nfs/dbraw/zinc/45/77/19/967457719.db2.gz GJZCOUNVPJRQND-AWEZNQCLSA-N 2 1 248.374 1.742 20 0 BDADMP CCc1nccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205263959 967457726 /nfs/dbraw/zinc/45/77/26/967457726.db2.gz GJZCOUNVPJRQND-AWEZNQCLSA-N 2 1 248.374 1.742 20 0 BDADMP Cn1cnc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205266714 967458309 /nfs/dbraw/zinc/45/83/09/967458309.db2.gz WOITXRFNLAYMJK-GFCCVEGCSA-N 2 1 222.336 1.123 20 0 BDADMP Cn1cnc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205266714 967458297 /nfs/dbraw/zinc/45/82/97/967458297.db2.gz WOITXRFNLAYMJK-GFCCVEGCSA-N 2 1 222.336 1.123 20 0 BDADMP COc1ccncc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273271 967467706 /nfs/dbraw/zinc/46/77/06/967467706.db2.gz JDEAKLKPKPZLFV-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccncc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273271 967467713 /nfs/dbraw/zinc/46/77/13/967467713.db2.gz JDEAKLKPKPZLFV-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(CO)o2)CC1 ZINC001205274076 967467920 /nfs/dbraw/zinc/46/79/20/967467920.db2.gz TVHXUFDUTZZROX-CYBMUJFWSA-N 2 1 238.331 1.475 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(CO)o2)CC1 ZINC001205274076 967467930 /nfs/dbraw/zinc/46/79/30/967467930.db2.gz TVHXUFDUTZZROX-CYBMUJFWSA-N 2 1 238.331 1.475 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)o1 ZINC001205289573 967480662 /nfs/dbraw/zinc/48/06/62/967480662.db2.gz ZEGLXIHUKGQXQO-LBPRGKRZSA-N 2 1 223.320 1.686 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@](C)([NH3+])CC2)o1 ZINC001205289573 967480670 /nfs/dbraw/zinc/48/06/70/967480670.db2.gz ZEGLXIHUKGQXQO-LBPRGKRZSA-N 2 1 223.320 1.686 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205325605 967545456 /nfs/dbraw/zinc/54/54/56/967545456.db2.gz PKSWZLJCXDRPML-GFCCVEGCSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205325605 967545470 /nfs/dbraw/zinc/54/54/70/967545470.db2.gz PKSWZLJCXDRPML-GFCCVEGCSA-N 3 1 233.359 1.329 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546352 967687221 /nfs/dbraw/zinc/68/72/21/967687221.db2.gz UIAYSBPAYVKRKL-GFCCVEGCSA-N 2 1 246.326 1.093 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cnoc2)CC1 ZINC001205545500 967693191 /nfs/dbraw/zinc/69/31/91/967693191.db2.gz IEZMRSAEURCNMW-NSHDSACASA-N 2 1 227.283 1.328 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)[nH]n1 ZINC001205603031 967716896 /nfs/dbraw/zinc/71/68/96/967716896.db2.gz NAUANJDNHJGTHH-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)n[nH]1 ZINC001205603031 967716901 /nfs/dbraw/zinc/71/69/01/967716901.db2.gz NAUANJDNHJGTHH-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)n[nH]1 ZINC001205603031 967716911 /nfs/dbraw/zinc/71/69/11/967716911.db2.gz NAUANJDNHJGTHH-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205602800 967717766 /nfs/dbraw/zinc/71/77/66/967717766.db2.gz MOUGQKVKWIXZKG-QWHCGFSZSA-N 3 1 227.396 1.422 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cncnc2)CC[C@H]1C[NH3+] ZINC001205618968 967731192 /nfs/dbraw/zinc/73/11/92/967731192.db2.gz ZSHQUAWXYNETGC-AAEUAGOBSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccns2)CC[C@H]1C[NH3+] ZINC001205637899 967735644 /nfs/dbraw/zinc/73/56/44/967735644.db2.gz JUFNEAMZLPJNKB-MNOVXSKESA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc[nH]c2)CC[C@H]1C[NH3+] ZINC001205627224 967737906 /nfs/dbraw/zinc/73/79/06/967737906.db2.gz NYSDRROPXXMONT-YPMHNXCESA-N 2 1 221.348 1.822 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)nc1 ZINC001205654547 967741397 /nfs/dbraw/zinc/74/13/97/967741397.db2.gz XEDIUVCVCSHLFN-OLZOCXBDSA-N 2 1 248.374 1.592 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](C)OC ZINC001205697036 967783999 /nfs/dbraw/zinc/78/39/99/967783999.db2.gz RTVQFBRNZPQXAH-GFCCVEGCSA-N 2 1 216.369 1.685 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001205903498 967879702 /nfs/dbraw/zinc/87/97/02/967879702.db2.gz PRTJJPDRACVHGJ-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP N[C@@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001205923964 967888163 /nfs/dbraw/zinc/88/81/63/967888163.db2.gz RJOGAUHKFOGHCG-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@@H]1CCCCN(CCC2CC[NH2+]CC2)C1 ZINC001205923964 967888165 /nfs/dbraw/zinc/88/81/65/967888165.db2.gz RJOGAUHKFOGHCG-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@H]1C[N@@H+](CC2CCOCC2)CCC[C@@H]1C[NH3+] ZINC001205981130 967920880 /nfs/dbraw/zinc/92/08/80/967920880.db2.gz BUYCPSSMAKVLLK-GXTWGEPZSA-N 2 1 240.391 1.720 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205983913 967932495 /nfs/dbraw/zinc/93/24/95/967932495.db2.gz PYGCIIGLUWMDHC-WCQYABFASA-N 2 1 248.374 1.592 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C[C@H]1O ZINC001205985622 967934028 /nfs/dbraw/zinc/93/40/28/967934028.db2.gz YZRCRMNGBFWCOF-HUUCEWRRSA-N 2 1 246.354 1.069 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncccn2)CCC[C@H]1C[NH3+] ZINC001205991783 967940814 /nfs/dbraw/zinc/94/08/14/967940814.db2.gz BZYLDAKSPBECIH-RYUDHWBXSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncccn2)CCC[C@@H]1C[NH3+] ZINC001205991785 967944186 /nfs/dbraw/zinc/94/41/86/967944186.db2.gz BZYLDAKSPBECIH-VXGBXAGGSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]ccc2=O)CCC[C@H]1C[NH3+] ZINC001206026261 967983416 /nfs/dbraw/zinc/98/34/16/967983416.db2.gz RDNGAVFNEYZMEQ-RYUDHWBXSA-N 2 1 249.358 1.182 20 0 BDADMP CC[C@H](CO)[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001206042671 968009080 /nfs/dbraw/zinc/00/90/80/968009080.db2.gz ZKVYAEHZWFXKRO-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)n1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cn1 ZINC000697926893 968048253 /nfs/dbraw/zinc/04/82/53/968048253.db2.gz JRVQBTMIQCEPHP-GFCCVEGCSA-N 2 1 238.379 1.894 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]3CCC[C@H]32)C1 ZINC000693566960 968078677 /nfs/dbraw/zinc/07/86/77/968078677.db2.gz FFEZJLLNEHGDRK-FVCCEPFGSA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC2CC2)CC[C@H]1F ZINC001206152699 968090550 /nfs/dbraw/zinc/09/05/50/968090550.db2.gz AIKNDBKAPXZKJD-MNOVXSKESA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC2CC2)CC[C@H]1F ZINC001206152699 968090565 /nfs/dbraw/zinc/09/05/65/968090565.db2.gz AIKNDBKAPXZKJD-MNOVXSKESA-N 2 1 200.301 1.548 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)s1 ZINC001206167151 968099764 /nfs/dbraw/zinc/09/97/64/968099764.db2.gz XJHBWHMAMPGEAL-GHMZBOCLSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)s1 ZINC001206167151 968099775 /nfs/dbraw/zinc/09/97/75/968099775.db2.gz XJHBWHMAMPGEAL-GHMZBOCLSA-N 2 1 243.351 1.713 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2cccnc2)CC[C@H]1F ZINC001206167073 968105203 /nfs/dbraw/zinc/10/52/03/968105203.db2.gz WUULHLMQCZHEBI-VXGBXAGGSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccnc2)CC[C@H]1F ZINC001206167073 968105211 /nfs/dbraw/zinc/10/52/11/968105211.db2.gz WUULHLMQCZHEBI-VXGBXAGGSA-N 2 1 223.295 1.343 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC001206262766 968183808 /nfs/dbraw/zinc/18/38/08/968183808.db2.gz FZLSCWDDIBXGQL-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001206262766 968183812 /nfs/dbraw/zinc/18/38/12/968183812.db2.gz FZLSCWDDIBXGQL-LBPRGKRZSA-N 3 1 233.359 1.329 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292474 968201425 /nfs/dbraw/zinc/20/14/25/968201425.db2.gz BNOCSKNLORPQQW-RYUDHWBXSA-N 2 1 213.369 1.175 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@](C)(C[NH3+])CC1 ZINC001206292474 968201433 /nfs/dbraw/zinc/20/14/33/968201433.db2.gz BNOCSKNLORPQQW-RYUDHWBXSA-N 2 1 213.369 1.175 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001206296221 968203027 /nfs/dbraw/zinc/20/30/27/968203027.db2.gz QJYUMMYDDGLYGG-AWEZNQCLSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001206304254 968210205 /nfs/dbraw/zinc/21/02/05/968210205.db2.gz INQANNNFKWMODI-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc[nH]c2=O)CC1 ZINC001206305139 968213953 /nfs/dbraw/zinc/21/39/53/968213953.db2.gz UNMYFBRMBCOROT-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)no1 ZINC001206305069 968216243 /nfs/dbraw/zinc/21/62/43/968216243.db2.gz SKMMFJFSYHZZCG-CYBMUJFWSA-N 2 1 237.347 1.934 20 0 BDADMP Cc1c2[nH+]c[nH]c2ccc1NOCC[NH3+] ZINC001164429824 968233399 /nfs/dbraw/zinc/23/33/99/968233399.db2.gz SARISDCJONKQRI-UHFFFAOYSA-N 2 1 206.249 1.174 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001251773978 968319208 /nfs/dbraw/zinc/31/92/08/968319208.db2.gz BGOALRVXZFCOJG-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206464772 968323592 /nfs/dbraw/zinc/32/35/92/968323592.db2.gz SJHHEYAYJYAXBF-DZGCQCFKSA-N 2 1 248.370 1.363 20 0 BDADMP Cc1ncc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206540959 968367051 /nfs/dbraw/zinc/36/70/51/968367051.db2.gz DTCHUANSUIVCEB-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1ncc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206540959 968367057 /nfs/dbraw/zinc/36/70/57/968367057.db2.gz DTCHUANSUIVCEB-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2nccnc2N)C1 ZINC001206554883 968379300 /nfs/dbraw/zinc/37/93/00/968379300.db2.gz HZKOPMDERLHPGV-ZDUSSCGKSA-N 2 1 249.362 1.010 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2nccnc2N)C1 ZINC001206554883 968379309 /nfs/dbraw/zinc/37/93/09/968379309.db2.gz HZKOPMDERLHPGV-ZDUSSCGKSA-N 2 1 249.362 1.010 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccnnc2)C1 ZINC001206556243 968380479 /nfs/dbraw/zinc/38/04/79/968380479.db2.gz PFIWFLCUXCAVNV-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccnnc2)C1 ZINC001206556243 968380489 /nfs/dbraw/zinc/38/04/89/968380489.db2.gz PFIWFLCUXCAVNV-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2c[nH]ccc2=O)C1 ZINC001206573457 968394389 /nfs/dbraw/zinc/39/43/89/968394389.db2.gz LAKZLAARDGVJNC-CQSZACIVSA-N 2 1 249.358 1.326 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c[nH]ccc2=O)C1 ZINC001206573457 968394395 /nfs/dbraw/zinc/39/43/95/968394395.db2.gz LAKZLAARDGVJNC-CQSZACIVSA-N 2 1 249.358 1.326 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606044 968416687 /nfs/dbraw/zinc/41/66/87/968416687.db2.gz BJWJVDRGWRSRLC-LBPRGKRZSA-N 2 1 213.369 1.176 20 0 BDADMP Nc1ccncc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615483 968419948 /nfs/dbraw/zinc/41/99/48/968419948.db2.gz FODGPISLKLNMGH-NSHDSACASA-N 2 1 234.347 1.055 20 0 BDADMP CC(C)[N@H+]1CC[C@H]([NH2+]C[C@H](C)O)[C@@H](C)C1 ZINC001251978148 968420545 /nfs/dbraw/zinc/42/05/45/968420545.db2.gz NMYLLKMHWZXZIE-SRVKXCTJSA-N 2 1 214.353 1.076 20 0 BDADMP CC[N@@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC001206674068 968431714 /nfs/dbraw/zinc/43/17/14/968431714.db2.gz PYXJVZNMQFSBFR-UHFFFAOYSA-N 2 1 248.370 1.971 20 0 BDADMP CC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206674068 968431724 /nfs/dbraw/zinc/43/17/24/968431724.db2.gz PYXJVZNMQFSBFR-UHFFFAOYSA-N 2 1 248.370 1.971 20 0 BDADMP CC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206674068 968431727 /nfs/dbraw/zinc/43/17/27/968431727.db2.gz PYXJVZNMQFSBFR-UHFFFAOYSA-N 2 1 248.370 1.971 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206709062 968436244 /nfs/dbraw/zinc/43/62/44/968436244.db2.gz BGQOTHNZBDJKFC-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1[nH+]cc(CN2CCC[C@H]2C[NH+](C)C)n1C ZINC001206794150 968479041 /nfs/dbraw/zinc/47/90/41/968479041.db2.gz KKMGCMIFTLETEG-LBPRGKRZSA-N 2 1 236.363 1.255 20 0 BDADMP CC[N@H+]1C[C@H]2CN(Cc3c[nH+]c(C)n3C)C[C@H]2C1 ZINC001206797392 968483337 /nfs/dbraw/zinc/48/33/37/968483337.db2.gz XPCSYWJMGKQLOQ-BETUJISGSA-N 2 1 248.374 1.112 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3c[nH+]c(C)n3C)C[C@H]2C1 ZINC001206797392 968483339 /nfs/dbraw/zinc/48/33/39/968483339.db2.gz XPCSYWJMGKQLOQ-BETUJISGSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC001207077388 968608815 /nfs/dbraw/zinc/60/88/15/968608815.db2.gz LOIUTNCWJPZCHN-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001207394870 968751325 /nfs/dbraw/zinc/75/13/25/968751325.db2.gz NZFCIXJMNFRFDC-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC001207436541 968769016 /nfs/dbraw/zinc/76/90/16/968769016.db2.gz NKPGRTHOFDYJAK-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP Cc1nc2c(o1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207443557 968772627 /nfs/dbraw/zinc/77/26/27/968772627.db2.gz VQFILWIGHKDQNA-UHFFFAOYSA-N 2 1 235.331 1.341 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207438733 968774413 /nfs/dbraw/zinc/77/44/13/968774413.db2.gz GCIDYCOTVZGFRL-ZDUSSCGKSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C2(CC2)C1 ZINC001207441176 968776504 /nfs/dbraw/zinc/77/65/04/968776504.db2.gz VGFZUMFPCDFFEJ-LLVKDONJSA-N 2 1 208.349 1.860 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001207479411 968795416 /nfs/dbraw/zinc/79/54/16/968795416.db2.gz IILJHAAICOZAMP-OLZOCXBDSA-N 2 1 244.354 1.123 20 0 BDADMP COC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001207485254 968796661 /nfs/dbraw/zinc/79/66/61/968796661.db2.gz VSFQDPJMZLTNHL-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP COC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207485254 968796671 /nfs/dbraw/zinc/79/66/71/968796671.db2.gz VSFQDPJMZLTNHL-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001207481448 968797026 /nfs/dbraw/zinc/79/70/26/968797026.db2.gz HICSHIRVBFFATO-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCOC3(CC3)C2)CC1 ZINC001207487629 968803599 /nfs/dbraw/zinc/80/35/99/968803599.db2.gz OUYKZABJOHYMAT-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP COC[C@@H]1CC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207488868 968803925 /nfs/dbraw/zinc/80/39/25/968803925.db2.gz QZDSZJLRGPWHIQ-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000336672310 968825652 /nfs/dbraw/zinc/82/56/52/968825652.db2.gz JYOXHCAXJDKZTK-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC000336672310 968825645 /nfs/dbraw/zinc/82/56/45/968825645.db2.gz JYOXHCAXJDKZTK-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC000336672310 968825646 /nfs/dbraw/zinc/82/56/46/968825646.db2.gz JYOXHCAXJDKZTK-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207629912 968843403 /nfs/dbraw/zinc/84/34/03/968843403.db2.gz OWLMHHHXZNVKBJ-AIEDFZFUSA-N 2 1 232.371 1.692 20 0 BDADMP C1CC1[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CO1 ZINC000691410386 968914423 /nfs/dbraw/zinc/91/44/23/968914423.db2.gz JJAMZFMNJHJHQQ-PYIXCIEVSA-N 2 1 248.370 1.140 20 0 BDADMP CCC[C@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001252789975 968968880 /nfs/dbraw/zinc/96/88/80/968968880.db2.gz QFIDZRGAJZDVAL-ZDUSSCGKSA-N 2 1 230.396 1.811 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H]1O ZINC001208105737 969001043 /nfs/dbraw/zinc/00/10/43/969001043.db2.gz BEMXSTPROZBCHE-CHWSQXEVSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208107861 969002199 /nfs/dbraw/zinc/00/21/99/969002199.db2.gz LFBHICNUAYQHBG-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001208110751 969007391 /nfs/dbraw/zinc/00/73/91/969007391.db2.gz FVPCGLJYODMBCT-NEPJUHHUSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001208110751 969007406 /nfs/dbraw/zinc/00/74/06/969007406.db2.gz FVPCGLJYODMBCT-NEPJUHHUSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CCC=C(c2ccc(C[NH3+])nc2)C1 ZINC001241570288 969063268 /nfs/dbraw/zinc/06/32/68/969063268.db2.gz GISVEKGIWPIEHX-UHFFFAOYSA-N 2 1 203.289 1.259 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCOCC2(C)C)CC1 ZINC001208599415 969145757 /nfs/dbraw/zinc/14/57/57/969145757.db2.gz HEMKSOVEAPZULU-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CCF)CC1 ZINC001208604331 969146959 /nfs/dbraw/zinc/14/69/59/969146959.db2.gz LXUCDNJAADGQJL-UHFFFAOYSA-N 2 1 202.317 1.620 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001208592004 969148875 /nfs/dbraw/zinc/14/88/75/969148875.db2.gz AOGVNYJYTDHXBR-ZIAGYGMSSA-N 2 1 238.375 1.582 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001208593592 969152660 /nfs/dbraw/zinc/15/26/60/969152660.db2.gz XLYVICCCAXEHBD-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CCn3nccc3C2)CC1 ZINC001208602671 969155686 /nfs/dbraw/zinc/15/56/86/969155686.db2.gz LAQQEIREUNRHER-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCn3nccc3C2)CC1 ZINC001208602671 969155689 /nfs/dbraw/zinc/15/56/89/969155689.db2.gz LAQQEIREUNRHER-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(COC3)CC2)C1 ZINC001208605103 969156398 /nfs/dbraw/zinc/15/63/98/969156398.db2.gz YTWVIPKNJYZIDS-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)CC1 ZINC001208613445 969171237 /nfs/dbraw/zinc/17/12/37/969171237.db2.gz UGJZPRXRUDXUAP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208613445 969171241 /nfs/dbraw/zinc/17/12/41/969171241.db2.gz UGJZPRXRUDXUAP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208613445 969171246 /nfs/dbraw/zinc/17/12/46/969171246.db2.gz UGJZPRXRUDXUAP-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208615212 969173679 /nfs/dbraw/zinc/17/36/79/969173679.db2.gz SMRSZLNZFAUNQK-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)O[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208615212 969173684 /nfs/dbraw/zinc/17/36/84/969173684.db2.gz SMRSZLNZFAUNQK-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)O[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208615212 969173690 /nfs/dbraw/zinc/17/36/90/969173690.db2.gz SMRSZLNZFAUNQK-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CC[NH+]3CCC2CC3)C1 ZINC001208618328 969175289 /nfs/dbraw/zinc/17/52/89/969175289.db2.gz WNGKQECECLIRPD-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP CC1=CC(=O)C[NH+]=C1NC1=CC[N@H+](C)CC1 ZINC001208719494 969202454 /nfs/dbraw/zinc/20/24/54/969202454.db2.gz QBAIVBIMYXETLH-UHFFFAOYSA-N 2 1 219.288 1.727 20 0 BDADMP CC1=CC(=O)C[NH+]=C1NC1=CC[N@@H+](C)CC1 ZINC001208719494 969202457 /nfs/dbraw/zinc/20/24/57/969202457.db2.gz QBAIVBIMYXETLH-UHFFFAOYSA-N 2 1 219.288 1.727 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccc1O ZINC001276591642 969261571 /nfs/dbraw/zinc/26/15/71/969261571.db2.gz SLNHTQNKIKCYQK-YOGCLGLASA-N 2 1 247.342 1.502 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccc1O ZINC001276591642 969261582 /nfs/dbraw/zinc/26/15/82/969261582.db2.gz SLNHTQNKIKCYQK-YOGCLGLASA-N 2 1 247.342 1.502 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CC(C)(C)O1)C2 ZINC001169097541 969392894 /nfs/dbraw/zinc/39/28/94/969392894.db2.gz BCTUKMLGMRHLMC-YVECIDJPSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CC(C)(C)O1)C2 ZINC001169097538 969392997 /nfs/dbraw/zinc/39/29/97/969392997.db2.gz BCTUKMLGMRHLMC-FVCCEPFGSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]1(C)C[C@H](O)C1)C2 ZINC001169099994 969393011 /nfs/dbraw/zinc/39/30/11/969393011.db2.gz YSYBBXVEISEZBE-OCQJUQKYSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ncccn1)C2 ZINC001169100464 969393535 /nfs/dbraw/zinc/39/35/35/969393535.db2.gz JJUOIQOCARQMRA-XYYAHUGASA-N 2 1 246.358 1.234 20 0 BDADMP CN(CC[NH+](C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122752 969421816 /nfs/dbraw/zinc/42/18/16/969421816.db2.gz CVESVPBXYDGXGN-CLLJXQQHSA-N 2 1 225.380 1.105 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](O)CC1)C2 ZINC001169126334 969433426 /nfs/dbraw/zinc/43/34/26/969433426.db2.gz RWCSKXFQTIFRJO-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](O)CC1)C2 ZINC001169126334 969433431 /nfs/dbraw/zinc/43/34/31/969433431.db2.gz RWCSKXFQTIFRJO-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](O)CC1)C2 ZINC001169126334 969433437 /nfs/dbraw/zinc/43/34/37/969433437.db2.gz RWCSKXFQTIFRJO-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP COCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126853 969434457 /nfs/dbraw/zinc/43/44/57/969434457.db2.gz YAAGOCDSPHIPAC-GDNZZTSVSA-N 2 1 212.337 1.190 20 0 BDADMP COCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126853 969434459 /nfs/dbraw/zinc/43/44/59/969434459.db2.gz YAAGOCDSPHIPAC-GDNZZTSVSA-N 2 1 212.337 1.190 20 0 BDADMP COCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126853 969434461 /nfs/dbraw/zinc/43/44/61/969434461.db2.gz YAAGOCDSPHIPAC-GDNZZTSVSA-N 2 1 212.337 1.190 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSCC1)C2 ZINC001169129133 969436114 /nfs/dbraw/zinc/43/61/14/969436114.db2.gz GYVFDRNNNNLVKZ-ZSBIGDGJSA-N 2 1 226.389 1.660 20 0 BDADMP COCC[N@H+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139268 969436741 /nfs/dbraw/zinc/43/67/41/969436741.db2.gz AGLZYTIJXOUNRC-WDNDVIMCSA-N 2 1 240.391 1.968 20 0 BDADMP COCC[N@@H+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139268 969436752 /nfs/dbraw/zinc/43/67/52/969436752.db2.gz AGLZYTIJXOUNRC-WDNDVIMCSA-N 2 1 240.391 1.968 20 0 BDADMP COCC[NH+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139268 969436758 /nfs/dbraw/zinc/43/67/58/969436758.db2.gz AGLZYTIJXOUNRC-WDNDVIMCSA-N 2 1 240.391 1.968 20 0 BDADMP COCC[NH+](C(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139268 969436770 /nfs/dbraw/zinc/43/67/70/969436770.db2.gz AGLZYTIJXOUNRC-WDNDVIMCSA-N 2 1 240.391 1.968 20 0 BDADMP COCC[N@@H+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139267 969441477 /nfs/dbraw/zinc/44/14/77/969441477.db2.gz AGLZYTIJXOUNRC-BTTYYORXSA-N 2 1 240.391 1.968 20 0 BDADMP COCC[N@H+](C(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139267 969441468 /nfs/dbraw/zinc/44/14/68/969441468.db2.gz AGLZYTIJXOUNRC-BTTYYORXSA-N 2 1 240.391 1.968 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)O)C2 ZINC001169108673 969446615 /nfs/dbraw/zinc/44/66/15/969446615.db2.gz UYLSHHMWNYXWNY-CLLJXQQHSA-N 2 1 240.391 1.752 20 0 BDADMP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001169109303 969447787 /nfs/dbraw/zinc/44/77/87/969447787.db2.gz AFNADMDTOBMMOV-CRWXNKLISA-N 2 1 238.375 1.626 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCC(=O)C1)C2 ZINC001169107477 969448830 /nfs/dbraw/zinc/44/88/30/969448830.db2.gz HRQFPOLKRKLUTI-ZDEQEGDKSA-N 2 1 236.359 1.713 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCC(=O)C1)C2 ZINC001169107477 969448835 /nfs/dbraw/zinc/44/88/35/969448835.db2.gz HRQFPOLKRKLUTI-ZDEQEGDKSA-N 2 1 236.359 1.713 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C)([NH3+])CC1)C2 ZINC001169106839 969450064 /nfs/dbraw/zinc/45/00/64/969450064.db2.gz AJTHQXIVWQRJCA-ITGUQSILSA-N 2 1 237.391 1.425 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)C2 ZINC001169115735 969452145 /nfs/dbraw/zinc/45/21/45/969452145.db2.gz NQCPPGKFBOCQEX-ZSBIGDGJSA-N 2 1 240.391 1.751 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001169143954 969468479 /nfs/dbraw/zinc/46/84/79/969468479.db2.gz GZQIZVMGECFTCH-ODXJTPSBSA-N 2 1 236.359 1.332 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001169143954 969468487 /nfs/dbraw/zinc/46/84/87/969468487.db2.gz GZQIZVMGECFTCH-ODXJTPSBSA-N 2 1 236.359 1.332 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001169143954 969468493 /nfs/dbraw/zinc/46/84/93/969468493.db2.gz GZQIZVMGECFTCH-ODXJTPSBSA-N 2 1 236.359 1.332 20 0 BDADMP CCO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169155638 969472650 /nfs/dbraw/zinc/47/26/50/969472650.db2.gz TYZJKAQGSPDIGC-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP CCO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169155638 969472657 /nfs/dbraw/zinc/47/26/57/969472657.db2.gz TYZJKAQGSPDIGC-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP CCO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169155638 969472664 /nfs/dbraw/zinc/47/26/64/969472664.db2.gz TYZJKAQGSPDIGC-XJFOESAGSA-N 2 1 238.375 1.722 20 0 BDADMP CSCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153883 969472951 /nfs/dbraw/zinc/47/29/51/969472951.db2.gz LOZMRLVMSGOPEQ-GDNZZTSVSA-N 2 1 228.405 1.906 20 0 BDADMP CSCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153883 969472963 /nfs/dbraw/zinc/47/29/63/969472963.db2.gz LOZMRLVMSGOPEQ-GDNZZTSVSA-N 2 1 228.405 1.906 20 0 BDADMP CSCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153883 969472967 /nfs/dbraw/zinc/47/29/67/969472967.db2.gz LOZMRLVMSGOPEQ-GDNZZTSVSA-N 2 1 228.405 1.906 20 0 BDADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209410720 969474896 /nfs/dbraw/zinc/47/48/96/969474896.db2.gz ADYLKDWPPRQPES-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209410720 969474914 /nfs/dbraw/zinc/47/49/14/969474914.db2.gz ADYLKDWPPRQPES-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209410720 969474916 /nfs/dbraw/zinc/47/49/16/969474916.db2.gz ADYLKDWPPRQPES-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209410720 969474934 /nfs/dbraw/zinc/47/49/34/969474934.db2.gz ADYLKDWPPRQPES-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc3c1CC[NH2+]C3)C2 ZINC001169154744 969475769 /nfs/dbraw/zinc/47/57/69/969475769.db2.gz UCVPOUHEIFJTQH-BTTYYORXSA-N 2 1 245.370 1.932 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+]3CC[C@H]3C1)C2 ZINC001169161973 969479779 /nfs/dbraw/zinc/47/97/79/969479779.db2.gz QZNBGRHYBZGGGW-CRWXNKLISA-N 2 1 235.375 1.002 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@@H+]3CC[C@H]3C1)C2 ZINC001169161973 969479787 /nfs/dbraw/zinc/47/97/87/969479787.db2.gz QZNBGRHYBZGGGW-CRWXNKLISA-N 2 1 235.375 1.002 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@H+]3CC[C@H]3C1)C2 ZINC001169161973 969479795 /nfs/dbraw/zinc/47/97/95/969479795.db2.gz QZNBGRHYBZGGGW-CRWXNKLISA-N 2 1 235.375 1.002 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@](C)(O)CC2)CC1 ZINC001169220296 969489330 /nfs/dbraw/zinc/48/93/30/969489330.db2.gz JLKBVYDKVIBLKB-MQMHXKEQSA-N 2 1 240.391 1.754 20 0 BDADMP CCN1CCC([N@H+](CCC[NH3+])C(C)C)CC1 ZINC001169221900 969494641 /nfs/dbraw/zinc/49/46/41/969494641.db2.gz SFUMWBPICPLLIN-UHFFFAOYSA-N 2 1 227.396 1.530 20 0 BDADMP CCN1CCC([N@@H+](CCC[NH3+])C(C)C)CC1 ZINC001169221900 969494646 /nfs/dbraw/zinc/49/46/46/969494646.db2.gz SFUMWBPICPLLIN-UHFFFAOYSA-N 2 1 227.396 1.530 20 0 BDADMP CCN1CCC([NH2+]CCCCCCC[NH3+])CC1 ZINC001169233147 969515801 /nfs/dbraw/zinc/51/58/01/969515801.db2.gz NFAZRMICHSNIEH-UHFFFAOYSA-N 2 1 241.423 1.970 20 0 BDADMP Cc1cc2[nH+]ccn2cc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169233185 969516500 /nfs/dbraw/zinc/51/65/00/969516500.db2.gz NQLMWHPBPDDQRX-JTQLQIEISA-N 2 1 241.298 1.848 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001169264545 969519490 /nfs/dbraw/zinc/51/94/90/969519490.db2.gz HPIQVMCFRUHXKJ-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001169264545 969519504 /nfs/dbraw/zinc/51/95/04/969519504.db2.gz HPIQVMCFRUHXKJ-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](OC(C)C)C2)CC1 ZINC001169265426 969525474 /nfs/dbraw/zinc/52/54/74/969525474.db2.gz WOWYRTHTMURVJI-CQSZACIVSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](OC(C)C)C2)CC1 ZINC001169265426 969525476 /nfs/dbraw/zinc/52/54/76/969525476.db2.gz WOWYRTHTMURVJI-CQSZACIVSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001169245193 969529189 /nfs/dbraw/zinc/52/91/89/969529189.db2.gz BPIOVPJAIWXUEW-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001169245193 969529195 /nfs/dbraw/zinc/52/91/95/969529195.db2.gz BPIOVPJAIWXUEW-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CCN1CCC([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001169246047 969535740 /nfs/dbraw/zinc/53/57/40/969535740.db2.gz NINQLEAQQYPSLY-OLZOCXBDSA-N 2 1 238.375 1.439 20 0 BDADMP CCCO[C@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169258939 969543939 /nfs/dbraw/zinc/54/39/39/969543939.db2.gz VJEDMGCJKHSYSU-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@H]1CC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169258939 969543942 /nfs/dbraw/zinc/54/39/42/969543942.db2.gz VJEDMGCJKHSYSU-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC(N2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC001169268602 969553713 /nfs/dbraw/zinc/55/37/13/969553713.db2.gz MOAXFGHTEQPFQQ-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001209727121 969580609 /nfs/dbraw/zinc/58/06/09/969580609.db2.gz JSQKGHZWFYMNGF-PHIMTYICSA-N 2 1 217.316 1.726 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001209727121 969580611 /nfs/dbraw/zinc/58/06/11/969580611.db2.gz JSQKGHZWFYMNGF-PHIMTYICSA-N 2 1 217.316 1.726 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001209729929 969584175 /nfs/dbraw/zinc/58/41/75/969584175.db2.gz BMHLWPMDRNVODQ-LLVKDONJSA-N 2 1 239.269 1.725 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001209729929 969584184 /nfs/dbraw/zinc/58/41/84/969584184.db2.gz BMHLWPMDRNVODQ-LLVKDONJSA-N 2 1 239.269 1.725 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001209733200 969592900 /nfs/dbraw/zinc/59/29/00/969592900.db2.gz RJTRTCGHVOCYGO-JOYOIKCWSA-N 2 1 203.289 1.478 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001209733200 969592906 /nfs/dbraw/zinc/59/29/06/969592906.db2.gz RJTRTCGHVOCYGO-JOYOIKCWSA-N 2 1 203.289 1.478 20 0 BDADMP CO[C@H]1CC[N@H+](Cc2c[nH+]ccc2N)[C@H](C)C1 ZINC001209733962 969596708 /nfs/dbraw/zinc/59/67/08/969596708.db2.gz XRYFYPWZMYZCDB-PWSUYJOCSA-N 2 1 235.331 1.493 20 0 BDADMP CO[C@H]1CC[N@@H+](Cc2c[nH+]ccc2N)[C@H](C)C1 ZINC001209733962 969596714 /nfs/dbraw/zinc/59/67/14/969596714.db2.gz XRYFYPWZMYZCDB-PWSUYJOCSA-N 2 1 235.331 1.493 20 0 BDADMP Nc1ccncc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001209736564 969597332 /nfs/dbraw/zinc/59/73/32/969597332.db2.gz FKWIKJZBGUDVMN-ZDUSSCGKSA-N 2 1 233.315 1.249 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001209736564 969597336 /nfs/dbraw/zinc/59/73/36/969597336.db2.gz FKWIKJZBGUDVMN-ZDUSSCGKSA-N 2 1 233.315 1.249 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001209736564 969597341 /nfs/dbraw/zinc/59/73/41/969597341.db2.gz FKWIKJZBGUDVMN-ZDUSSCGKSA-N 2 1 233.315 1.249 20 0 BDADMP CCOC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209734256 969598944 /nfs/dbraw/zinc/59/89/44/969598944.db2.gz POUYOCHHWDIUBP-UHFFFAOYSA-N 2 1 235.331 1.495 20 0 BDADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1C1CCC2(CC2)CC1 ZINC001254436097 969624912 /nfs/dbraw/zinc/62/49/12/969624912.db2.gz OGNBXVAQGWKWQV-LLVKDONJSA-N 2 1 249.358 1.641 20 0 BDADMP COCC1([NH2+][C@H]2CCC[N@@H+](C)CC2)CCC1 ZINC001254500491 969662108 /nfs/dbraw/zinc/66/21/08/969662108.db2.gz IGMDPCIEVXTXDO-LBPRGKRZSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2C[C@@](C)(O)C2)CC1 ZINC001254503318 969667127 /nfs/dbraw/zinc/66/71/27/969667127.db2.gz MCJXXHIBAQTTIJ-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CC(C)(C)O2)CC1 ZINC001254503633 969668079 /nfs/dbraw/zinc/66/80/79/969668079.db2.gz NZKVZHFXDMWUCV-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCOc2cccnc2)CC1 ZINC001254502601 969668598 /nfs/dbraw/zinc/66/85/98/969668598.db2.gz GYZKGRZGSCQRKZ-CYBMUJFWSA-N 2 1 249.358 1.534 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC001254506247 969671469 /nfs/dbraw/zinc/67/14/69/969671469.db2.gz QAFFWPJFXMPVKV-TZMCWYRMSA-N 2 1 249.358 1.189 20 0 BDADMP COC(C)(C[NH2+][C@H]1CCC[N@@H+](C)CC1)OC ZINC001254509084 969678116 /nfs/dbraw/zinc/67/81/16/969678116.db2.gz VRSKHHHIOQILTI-NSHDSACASA-N 2 1 230.352 1.069 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@H](CO)c2ccncc2)CC1 ZINC001254509330 969683467 /nfs/dbraw/zinc/68/34/67/969683467.db2.gz YXFGAMDVDCNXOJ-ZIAGYGMSSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H](CO)c2ccncc2)CC1 ZINC001254509330 969683471 /nfs/dbraw/zinc/68/34/71/969683471.db2.gz YXFGAMDVDCNXOJ-ZIAGYGMSSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccncn2)CC1 ZINC001254513523 969684022 /nfs/dbraw/zinc/68/40/22/969684022.db2.gz CWODGUMMJHRRML-GFCCVEGCSA-N 2 1 234.347 1.093 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515761 969690518 /nfs/dbraw/zinc/69/05/18/969690518.db2.gz CHXAKVCOOZCNDG-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254515761 969690521 /nfs/dbraw/zinc/69/05/21/969690521.db2.gz CHXAKVCOOZCNDG-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515761 969690526 /nfs/dbraw/zinc/69/05/26/969690526.db2.gz CHXAKVCOOZCNDG-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+](Cc1ccncc1)[C@H]1CCC[NH+](C)CC1 ZINC001254515740 969691178 /nfs/dbraw/zinc/69/11/78/969691178.db2.gz BWZQXTCVKXHFBT-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[N@@H+](Cc1ccncc1)[C@H]1CCC[NH+](C)CC1 ZINC001254515740 969691183 /nfs/dbraw/zinc/69/11/83/969691183.db2.gz BWZQXTCVKXHFBT-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1ccncc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254515740 969691188 /nfs/dbraw/zinc/69/11/88/969691188.db2.gz BWZQXTCVKXHFBT-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](Cc1ccncc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515740 969691191 /nfs/dbraw/zinc/69/11/91/969691191.db2.gz BWZQXTCVKXHFBT-AWEZNQCLSA-N 2 1 233.359 1.998 20 0 BDADMP CC(C)O[C@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254530576 969725500 /nfs/dbraw/zinc/72/55/00/969725500.db2.gz YUJJXSHIRAHVNY-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)O[C@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254530576 969725503 /nfs/dbraw/zinc/72/55/03/969725503.db2.gz YUJJXSHIRAHVNY-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)O[C@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254530576 969725511 /nfs/dbraw/zinc/72/55/11/969725511.db2.gz YUJJXSHIRAHVNY-KBPBESRZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254530300 969726338 /nfs/dbraw/zinc/72/63/38/969726338.db2.gz WNBZLPQCCRQDRC-IHRRRGAJSA-N 2 1 238.375 1.724 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CCC[N@H+](C)CC1)C2 ZINC001254530300 969726358 /nfs/dbraw/zinc/72/63/58/969726358.db2.gz WNBZLPQCCRQDRC-IHRRRGAJSA-N 2 1 238.375 1.724 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254530300 969726362 /nfs/dbraw/zinc/72/63/62/969726362.db2.gz WNBZLPQCCRQDRC-IHRRRGAJSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@H]3C[C@H]32)CC1 ZINC001254531749 969727356 /nfs/dbraw/zinc/72/73/56/969727356.db2.gz LCVDMXOBRBMDRE-RWMBFGLXSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]3C[C@H]32)CC1 ZINC001254531749 969727368 /nfs/dbraw/zinc/72/73/68/969727368.db2.gz LCVDMXOBRBMDRE-RWMBFGLXSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001254531749 969727375 /nfs/dbraw/zinc/72/73/75/969727375.db2.gz LCVDMXOBRBMDRE-RWMBFGLXSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001254531749 969727384 /nfs/dbraw/zinc/72/73/84/969727384.db2.gz LCVDMXOBRBMDRE-RWMBFGLXSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001254530182 969731638 /nfs/dbraw/zinc/73/16/38/969731638.db2.gz UUSLPJQMXHYPPQ-LPWJVIDDSA-N 2 1 226.339 1.618 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001254530182 969731652 /nfs/dbraw/zinc/73/16/52/969731652.db2.gz UUSLPJQMXHYPPQ-LPWJVIDDSA-N 2 1 226.339 1.618 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001254530182 969731667 /nfs/dbraw/zinc/73/16/67/969731667.db2.gz UUSLPJQMXHYPPQ-LPWJVIDDSA-N 2 1 226.339 1.618 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncc(O)c2)CCC[C@@H]1C[NH3+] ZINC001206012763 969737948 /nfs/dbraw/zinc/73/79/48/969737948.db2.gz NPTUJSVRDKUWAF-WCQYABFASA-N 2 1 249.358 1.594 20 0 BDADMP CC(C)Nc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169561244 969756179 /nfs/dbraw/zinc/75/61/79/969756179.db2.gz IDVDYVALCQGGEM-LLVKDONJSA-N 2 1 249.362 1.851 20 0 BDADMP c1cc2c[nH+]c(NCC[C@H]3CCC[NH2+]3)nc2[nH]1 ZINC001169558435 969756550 /nfs/dbraw/zinc/75/65/50/969756550.db2.gz CMMVBCVUEBJSON-SNVBAGLBSA-N 2 1 231.303 1.464 20 0 BDADMP C[N@H+]1CC[C@@H](CN[C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254836489 969799202 /nfs/dbraw/zinc/79/92/02/969799202.db2.gz LZWWNUQSCAKIOB-KBPBESRZSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC3CCN(CC3)C2)C1 ZINC001254836489 969799207 /nfs/dbraw/zinc/79/92/07/969799207.db2.gz LZWWNUQSCAKIOB-KBPBESRZSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CC3CCN(CC3)C2)C1 ZINC001254836489 969799212 /nfs/dbraw/zinc/79/92/12/969799212.db2.gz LZWWNUQSCAKIOB-KBPBESRZSA-N 2 1 237.391 1.012 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254937232 969824266 /nfs/dbraw/zinc/82/42/66/969824266.db2.gz ZVYUVJCYMOMBOX-WYUUTHIRSA-N 2 1 224.348 1.271 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ccc3c(c2)NCC3)CC[NH2+]1 ZINC001210518289 969924889 /nfs/dbraw/zinc/92/48/89/969924889.db2.gz GITJRJDJVDDPTN-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)NCC3)CC[NH2+]1 ZINC001210518289 969924893 /nfs/dbraw/zinc/92/48/93/969924893.db2.gz GITJRJDJVDDPTN-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP CC(C)(C[NH3+])N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255098839 969934869 /nfs/dbraw/zinc/93/48/69/969934869.db2.gz HCWFBWZJYBHCAH-AWEZNQCLSA-N 2 1 247.386 1.588 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001255098839 969934870 /nfs/dbraw/zinc/93/48/70/969934870.db2.gz HCWFBWZJYBHCAH-AWEZNQCLSA-N 2 1 247.386 1.588 20 0 BDADMP CCCC[C@@H](C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001255314893 970084616 /nfs/dbraw/zinc/08/46/16/970084616.db2.gz XDVBGPBQNRETMH-CQSZACIVSA-N 2 1 241.423 1.792 20 0 BDADMP OCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377856 970128331 /nfs/dbraw/zinc/12/83/31/970128331.db2.gz LUVPQQYEFXGLEH-HNNXBMFYSA-N 2 1 248.370 1.623 20 0 BDADMP C[N@H+]1CC[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC001255412790 970132055 /nfs/dbraw/zinc/13/20/55/970132055.db2.gz SELBLAUHKJADHB-STQMWFEESA-N 2 1 231.343 1.081 20 0 BDADMP CCC[NH+](CCC)CCN[C@H]1CC[N@@H+](C)C1 ZINC001255413533 970134174 /nfs/dbraw/zinc/13/41/74/970134174.db2.gz XJYDDPQPPXFDRJ-ZDUSSCGKSA-N 2 1 227.396 1.402 20 0 BDADMP C[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3ncccc32)C1 ZINC001255417346 970138943 /nfs/dbraw/zinc/13/89/43/970138943.db2.gz KYEBMXWQLPYEKB-GFCCVEGCSA-N 2 1 244.342 1.414 20 0 BDADMP COc1ccc(N[C@H]2CC[N@@H+](C)C2)cc1C[NH3+] ZINC001255422484 970148030 /nfs/dbraw/zinc/14/80/30/970148030.db2.gz RFDOGZQZYFXPON-LBPRGKRZSA-N 2 1 235.331 1.270 20 0 BDADMP CN1CC[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001255425699 970149461 /nfs/dbraw/zinc/14/94/61/970149461.db2.gz IQRLEZJYUMEBCZ-UONOGXRCSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001255472332 970203542 /nfs/dbraw/zinc/20/35/42/970203542.db2.gz UGGLZQBWUWDNFR-OCCSQVGLSA-N 2 1 245.370 1.991 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001255493276 970250876 /nfs/dbraw/zinc/25/08/76/970250876.db2.gz AYWGDIRFDWIRLR-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC001255493276 970250897 /nfs/dbraw/zinc/25/08/97/970250897.db2.gz AYWGDIRFDWIRLR-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC001255493276 970250904 /nfs/dbraw/zinc/25/09/04/970250904.db2.gz AYWGDIRFDWIRLR-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CN1CCC[C@H]([N@H+]2C[C@H]3CCCN(C)[C@H]3C2)C1 ZINC001255495471 970257741 /nfs/dbraw/zinc/25/77/41/970257741.db2.gz PTLWANKKMPLVCE-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)C1 ZINC001255495469 970261410 /nfs/dbraw/zinc/26/14/10/970261410.db2.gz PTLWANKKMPLVCE-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCOC(C)(C)C1 ZINC001255527364 970292616 /nfs/dbraw/zinc/29/26/16/970292616.db2.gz KNEZLPLGWPNWLF-LLVKDONJSA-N 2 1 237.347 1.823 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001255545306 970318539 /nfs/dbraw/zinc/31/85/39/970318539.db2.gz GIQKBVIJTMPMQY-GFCCVEGCSA-N 2 1 249.358 1.699 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001255545306 970318543 /nfs/dbraw/zinc/31/85/43/970318543.db2.gz GIQKBVIJTMPMQY-GFCCVEGCSA-N 2 1 249.358 1.699 20 0 BDADMP Nc1[nH]c2ccc(C3=CC[NH2+]C3)cc2[nH+]1 ZINC001243112252 970358971 /nfs/dbraw/zinc/35/89/71/970358971.db2.gz RYQZJGNLWBNZSC-UHFFFAOYSA-N 2 1 200.245 1.132 20 0 BDADMP C[C@H](C[NH3+])CN(C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255672040 970451196 /nfs/dbraw/zinc/45/11/96/970451196.db2.gz WDSUHVXXQMHMSL-HABKJSAYSA-N 2 1 239.407 1.528 20 0 BDADMP C[C@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001255675028 970451961 /nfs/dbraw/zinc/45/19/61/970451961.db2.gz XJXRXWSSWDPASL-BEUHCMRWSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1O ZINC001255675028 970451966 /nfs/dbraw/zinc/45/19/66/970451966.db2.gz XJXRXWSSWDPASL-BEUHCMRWSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1O ZINC001255675028 970451978 /nfs/dbraw/zinc/45/19/78/970451978.db2.gz XJXRXWSSWDPASL-BEUHCMRWSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1O ZINC001255675028 970452003 /nfs/dbraw/zinc/45/20/03/970452003.db2.gz XJXRXWSSWDPASL-BEUHCMRWSA-N 2 1 238.375 1.314 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400011736 970539362 /nfs/dbraw/zinc/53/93/62/970539362.db2.gz WMEUZJKMIKWSAO-KGLIPLIRSA-N 2 1 238.375 1.175 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC000400565735 970603545 /nfs/dbraw/zinc/60/35/45/970603545.db2.gz NVHIDDVEIKNTEV-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP C1CC1N1CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001256076123 970647618 /nfs/dbraw/zinc/64/76/18/970647618.db2.gz UQDTYALKRYLMIJ-PHIMTYICSA-N 2 1 206.333 1.565 20 0 BDADMP C1CC1[NH+]1CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001256076123 970647630 /nfs/dbraw/zinc/64/76/30/970647630.db2.gz UQDTYALKRYLMIJ-PHIMTYICSA-N 2 1 206.333 1.565 20 0 BDADMP C1CC1[NH+]1CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001256076123 970647635 /nfs/dbraw/zinc/64/76/35/970647635.db2.gz UQDTYALKRYLMIJ-PHIMTYICSA-N 2 1 206.333 1.565 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1NCC1C[NH+](C)C1 ZINC001170254548 970669265 /nfs/dbraw/zinc/66/92/65/970669265.db2.gz PQANFGNKJQPQOE-UHFFFAOYSA-N 2 1 234.347 1.430 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+]C(C)(C)C[NH3+])c1 ZINC001256145164 970670196 /nfs/dbraw/zinc/67/01/96/970670196.db2.gz XLOCZQCXCPJSET-NSHDSACASA-N 2 1 236.359 1.953 20 0 BDADMP CSCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256211017 970717614 /nfs/dbraw/zinc/71/76/14/970717614.db2.gz PWASUZCFXZNQMI-UHFFFAOYSA-N 2 1 202.367 1.375 20 0 BDADMP CSCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001256211017 970717600 /nfs/dbraw/zinc/71/76/00/970717600.db2.gz PWASUZCFXZNQMI-UHFFFAOYSA-N 2 1 202.367 1.375 20 0 BDADMP CSCC[N@@H+](C)C1CCN(C)CC1 ZINC001256211017 970717589 /nfs/dbraw/zinc/71/75/89/970717589.db2.gz PWASUZCFXZNQMI-UHFFFAOYSA-N 2 1 202.367 1.375 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C[C@H](O)c1ccccc1 ZINC000401643832 970718036 /nfs/dbraw/zinc/71/80/36/970718036.db2.gz JZAJWRFOXPBZQY-AWEZNQCLSA-N 2 1 245.326 1.286 20 0 BDADMP CCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246545279 972631527 /nfs/dbraw/zinc/63/15/27/972631527.db2.gz VSBLVIOPFPMDQG-NWDGAFQWSA-N 2 1 214.353 1.351 20 0 BDADMP c1nnc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC001327562247 972640303 /nfs/dbraw/zinc/64/03/03/972640303.db2.gz KKIWOSHTZMRBQC-NWDGAFQWSA-N 2 1 249.362 1.016 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246549774 972700311 /nfs/dbraw/zinc/70/03/11/972700311.db2.gz HXNSXYFNDIQTJS-ZDCRXTMVSA-N 2 1 200.301 1.559 20 0 BDADMP C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246549774 972700322 /nfs/dbraw/zinc/70/03/22/972700322.db2.gz HXNSXYFNDIQTJS-ZDCRXTMVSA-N 2 1 200.301 1.559 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550973 972721269 /nfs/dbraw/zinc/72/12/69/972721269.db2.gz ZNIUGIKXECLFAR-XQHKEYJVSA-N 2 1 236.359 1.557 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246553883 972744163 /nfs/dbraw/zinc/74/41/63/972744163.db2.gz TVHNJENLXVBIGG-LOWDOPEQSA-N 2 1 208.349 1.988 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C1 ZINC001246558489 972781333 /nfs/dbraw/zinc/78/13/33/972781333.db2.gz QIMBFKPUARULJU-UPJWGTAASA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1CN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1[NH3+] ZINC001246559774 972785570 /nfs/dbraw/zinc/78/55/70/972785570.db2.gz DYCGIRRTSHLBBX-SYCZCVCYSA-N 2 1 237.391 1.281 20 0 BDADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561538 972792810 /nfs/dbraw/zinc/79/28/10/972792810.db2.gz VPRROJAWHZFXBC-XJFOESAGSA-N 2 1 242.407 1.985 20 0 BDADMP CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246574840 972870221 /nfs/dbraw/zinc/87/02/21/972870221.db2.gz BXMXIIGFXJPUJO-RRFJBIMHSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CCO1 ZINC001246584223 972955401 /nfs/dbraw/zinc/95/54/01/972955401.db2.gz TWZWUSTYZDPACN-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2Cc3ccccc3C2)CC[C@@H]1F ZINC001246592809 972997254 /nfs/dbraw/zinc/99/72/54/972997254.db2.gz VYYSPOOQXJKIQD-LSDHHAIUSA-N 2 1 248.345 1.915 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2Cc3ccccc3C2)CC[C@@H]1F ZINC001246592809 972997272 /nfs/dbraw/zinc/99/72/72/972997272.db2.gz VYYSPOOQXJKIQD-LSDHHAIUSA-N 2 1 248.345 1.915 20 0 BDADMP C[N@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[C@H](O)CC1 ZINC001246603258 973018509 /nfs/dbraw/zinc/01/85/09/973018509.db2.gz YOXONVZDNPYUHA-AOXNGBQGSA-N 2 1 238.375 1.505 20 0 BDADMP C[C@H](Cc1ccccn1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246599659 973018882 /nfs/dbraw/zinc/01/88/82/973018882.db2.gz PSYGMPVMUKIGHC-LLVKDONJSA-N 2 1 219.332 1.293 20 0 BDADMP CC(C)CCC[C@H](C)[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246604449 973026761 /nfs/dbraw/zinc/02/67/61/973026761.db2.gz SROUBDLQLALLCF-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CCC[C@H](C)[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001246604449 973026780 /nfs/dbraw/zinc/02/67/80/973026780.db2.gz SROUBDLQLALLCF-QWHCGFSZSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CCC[C@H](C)[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246604450 973027097 /nfs/dbraw/zinc/02/70/97/973027097.db2.gz SROUBDLQLALLCF-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)CCC[C@H](C)[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC001246604450 973027115 /nfs/dbraw/zinc/02/71/15/973027115.db2.gz SROUBDLQLALLCF-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637725 973055676 /nfs/dbraw/zinc/05/56/76/973055676.db2.gz JAMYRKQKNUTUBY-FDYHWXHSSA-N 2 1 224.348 1.380 20 0 BDADMP C1NCC12CCC[N@@H+]2[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246640509 973059846 /nfs/dbraw/zinc/05/98/46/973059846.db2.gz DTCQHACLEOGOMB-UONOGXRCSA-N 2 1 249.402 1.347 20 0 BDADMP C1NCC12CCC[N@H+]2[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246640509 973059859 /nfs/dbraw/zinc/05/98/59/973059859.db2.gz DTCQHACLEOGOMB-UONOGXRCSA-N 2 1 249.402 1.347 20 0 BDADMP c1[nH+]cn(C2CC[NH2+]CC2)c1C1CC[NH2+]CC1 ZINC001246866987 973231798 /nfs/dbraw/zinc/23/17/98/973231798.db2.gz LQMBYJLKMYBRSL-UHFFFAOYSA-N 3 1 234.347 1.275 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246870256 973253018 /nfs/dbraw/zinc/25/30/18/973253018.db2.gz ODSWMXURFLBYBI-AVGNSLFASA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246870256 973253036 /nfs/dbraw/zinc/25/30/36/973253036.db2.gz ODSWMXURFLBYBI-AVGNSLFASA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246908964 973410547 /nfs/dbraw/zinc/41/05/47/973410547.db2.gz HJZCSSDMJKUFFH-FDYHWXHSSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CN1 ZINC001246908964 973410571 /nfs/dbraw/zinc/41/05/71/973410571.db2.gz HJZCSSDMJKUFFH-FDYHWXHSSA-N 2 1 225.380 1.329 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246910094 973432407 /nfs/dbraw/zinc/43/24/07/973432407.db2.gz JYHUGKYDTGTZHI-RDBSUJKOSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224118994 973454442 /nfs/dbraw/zinc/45/44/42/973454442.db2.gz ORCLJAMTVBJRBF-MDZLAQPJSA-N 2 1 231.343 1.475 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224118994 973454456 /nfs/dbraw/zinc/45/44/56/973454456.db2.gz ORCLJAMTVBJRBF-MDZLAQPJSA-N 2 1 231.343 1.475 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]1C[NH3+])C2 ZINC001246918995 973481344 /nfs/dbraw/zinc/48/13/44/973481344.db2.gz YWIBKDHGTDZCNF-YVECIDJPSA-N 2 1 223.364 1.035 20 0 BDADMP C[C@@H]1CC[C@H](N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246921752 973496877 /nfs/dbraw/zinc/49/68/77/973496877.db2.gz VFSMGQQOWQGLAR-ZOBORPQBSA-N 2 1 237.391 1.153 20 0 BDADMP CC1(C)CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922398 973508880 /nfs/dbraw/zinc/50/88/80/973508880.db2.gz WDNCIZUUZKJSGN-PWSUYJOCSA-N 2 1 208.349 1.859 20 0 BDADMP CC1(C)CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922398 973508894 /nfs/dbraw/zinc/50/88/94/973508894.db2.gz WDNCIZUUZKJSGN-PWSUYJOCSA-N 2 1 208.349 1.859 20 0 BDADMP CCCC(CCC)[N@H+]1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001246929996 973574242 /nfs/dbraw/zinc/57/42/42/973574242.db2.gz JGNVGFDZZJTLCW-NEPJUHHUSA-N 2 1 242.363 1.387 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)CCOC(C)C ZINC001246980584 973731991 /nfs/dbraw/zinc/73/19/91/973731991.db2.gz JAEKKBOKEHDVRE-RYUDHWBXSA-N 2 1 216.369 1.859 20 0 BDADMP C1[NH2+]C[C@H]2C[C@@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]12 ZINC001247011797 973794836 /nfs/dbraw/zinc/79/48/36/973794836.db2.gz BTEMSCLBTGCBAM-SBJFKYEJSA-N 3 1 249.402 1.058 20 0 BDADMP C1[NH2+]C[C@H]2C[C@@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]12 ZINC001247011797 973794849 /nfs/dbraw/zinc/79/48/49/973794849.db2.gz BTEMSCLBTGCBAM-SBJFKYEJSA-N 3 1 249.402 1.058 20 0 BDADMP C1[NH2+]C[C@H]2C[C@@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]12 ZINC001247011800 973796333 /nfs/dbraw/zinc/79/63/33/973796333.db2.gz BTEMSCLBTGCBAM-UXXRCYHCSA-N 3 1 249.402 1.058 20 0 BDADMP C1[NH2+]C[C@H]2C[C@@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@@H]12 ZINC001247011800 973796337 /nfs/dbraw/zinc/79/63/37/973796337.db2.gz BTEMSCLBTGCBAM-UXXRCYHCSA-N 3 1 249.402 1.058 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224700823 973866062 /nfs/dbraw/zinc/86/60/62/973866062.db2.gz BDPOERWZIGTRHR-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CC[C@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224700823 973866074 /nfs/dbraw/zinc/86/60/74/973866074.db2.gz BDPOERWZIGTRHR-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CC[C@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224700823 973866078 /nfs/dbraw/zinc/86/60/78/973866078.db2.gz BDPOERWZIGTRHR-KGLIPLIRSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224817287 974001960 /nfs/dbraw/zinc/00/19/60/974001960.db2.gz LSBICAJJQTZJBE-QWHCGFSZSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)[NH+]1CC[C@@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224817287 974001974 /nfs/dbraw/zinc/00/19/74/974001974.db2.gz LSBICAJJQTZJBE-QWHCGFSZSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)[NH+]1CC[C@@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224817287 974001988 /nfs/dbraw/zinc/00/19/88/974001988.db2.gz LSBICAJJQTZJBE-QWHCGFSZSA-N 2 1 226.364 1.580 20 0 BDADMP CC[NH+]1CC(OCCCC[NH+](C)C)C1 ZINC001224991772 974124136 /nfs/dbraw/zinc/12/41/36/974124136.db2.gz AQWZRCGOUODZSU-UHFFFAOYSA-N 2 1 200.326 1.049 20 0 BDADMP [NH3+]CCc1c[nH+]cn1[C@@H]1Cc2cccc(F)c2C1 ZINC001171769430 974153133 /nfs/dbraw/zinc/15/31/33/974153133.db2.gz QRZZQZWSVFDMOG-GFCCVEGCSA-N 2 1 245.301 1.863 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171773308 974157147 /nfs/dbraw/zinc/15/71/47/974157147.db2.gz JETDJBQCUXGZDK-YPMHNXCESA-N 2 1 248.345 1.834 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1Cc2cccc(F)c2C1 ZINC001171784118 974174554 /nfs/dbraw/zinc/17/45/54/974174554.db2.gz XAZUNZGMRPQENI-JQWIXIFHSA-N 2 1 236.334 1.820 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCC=CO2)CC[C@@H]1F ZINC001206153686 974219088 /nfs/dbraw/zinc/21/90/88/974219088.db2.gz DRXWTROQUSWGNT-GRYCIOLGSA-N 2 1 228.311 1.440 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCC=CO2)CC[C@@H]1F ZINC001206153686 974219109 /nfs/dbraw/zinc/21/91/09/974219109.db2.gz DRXWTROQUSWGNT-GRYCIOLGSA-N 2 1 228.311 1.440 20 0 BDADMP N[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)CC[C@H]1F ZINC001206154250 974323823 /nfs/dbraw/zinc/32/38/23/974323823.db2.gz HYYNFLXSIPWMKW-IJLUTSLNSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCCOC2)CC[C@H]1F ZINC001206154250 974323830 /nfs/dbraw/zinc/32/38/30/974323830.db2.gz HYYNFLXSIPWMKW-IJLUTSLNSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCOC2)CC[C@H]1F ZINC001206154250 974323837 /nfs/dbraw/zinc/32/38/37/974323837.db2.gz HYYNFLXSIPWMKW-IJLUTSLNSA-N 2 1 230.327 1.174 20 0 BDADMP CCC1(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)COC1 ZINC001206154566 974329922 /nfs/dbraw/zinc/32/99/22/974329922.db2.gz KBCHJYYLFCSKTC-WDEREUQCSA-N 2 1 230.327 1.174 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)COC1 ZINC001206154566 974329934 /nfs/dbraw/zinc/32/99/34/974329934.db2.gz KBCHJYYLFCSKTC-WDEREUQCSA-N 2 1 230.327 1.174 20 0 BDADMP N[C@@H]1CC[N@@H+](CC2CCOCC2)CC[C@@H]1F ZINC001206156758 974331336 /nfs/dbraw/zinc/33/13/36/974331336.db2.gz SPDJDMWADWFCED-NWDGAFQWSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCOCC2)CC[C@@H]1F ZINC001206156758 974331348 /nfs/dbraw/zinc/33/13/48/974331348.db2.gz SPDJDMWADWFCED-NWDGAFQWSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCOCC2)CC[C@@H]1F ZINC001206156758 974331356 /nfs/dbraw/zinc/33/13/56/974331356.db2.gz SPDJDMWADWFCED-NWDGAFQWSA-N 2 1 230.327 1.174 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1COC1)C2 ZINC001172098189 974339011 /nfs/dbraw/zinc/33/90/11/974339011.db2.gz BNSTZVOPUJCYBD-XYYAHUGASA-N 2 1 224.348 1.238 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)O)C2 ZINC001172098403 974340626 /nfs/dbraw/zinc/34/06/26/974340626.db2.gz DCBFLDSFSFJOQB-ZSBIGDGJSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172098339 974341822 /nfs/dbraw/zinc/34/18/22/974341822.db2.gz CBNXOANEULJXOW-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172098339 974341832 /nfs/dbraw/zinc/34/18/32/974341832.db2.gz CBNXOANEULJXOW-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172098339 974341838 /nfs/dbraw/zinc/34/18/38/974341838.db2.gz CBNXOANEULJXOW-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCCO)C2 ZINC001172100635 974343537 /nfs/dbraw/zinc/34/35/37/974343537.db2.gz RCLITWOUJSOFMH-ZSOGYDGISA-N 2 1 240.391 1.754 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccno1)C2 ZINC001172100709 974344896 /nfs/dbraw/zinc/34/48/96/974344896.db2.gz RPYRSIQOYOROOI-ZSBIGDGJSA-N 2 1 235.331 1.780 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccno1)C2 ZINC001172100709 974344905 /nfs/dbraw/zinc/34/49/05/974344905.db2.gz RPYRSIQOYOROOI-ZSBIGDGJSA-N 2 1 235.331 1.780 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCOC1)C2 ZINC001172103115 974359142 /nfs/dbraw/zinc/35/91/42/974359142.db2.gz RZEWOEKBDDQEQD-XDQVBPFNSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCOC1)C2 ZINC001172103115 974359148 /nfs/dbraw/zinc/35/91/48/974359148.db2.gz RZEWOEKBDDQEQD-XDQVBPFNSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H](O)C1)C2 ZINC001172108690 974373684 /nfs/dbraw/zinc/37/36/84/974373684.db2.gz YCRQBKUJOBNRKY-UMBVQODESA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H](O)C1)C2 ZINC001172108690 974373691 /nfs/dbraw/zinc/37/36/91/974373691.db2.gz YCRQBKUJOBNRKY-UMBVQODESA-N 2 1 224.348 1.115 20 0 BDADMP COCC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172112866 974375564 /nfs/dbraw/zinc/37/55/64/974375564.db2.gz GEZMUHHDYDUZSZ-BTTYYORXSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1CO)C2 ZINC001172122242 974388821 /nfs/dbraw/zinc/38/88/21/974388821.db2.gz YEBXZCNDMPXGLF-RQJABVFESA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1CO)C2 ZINC001172122242 974388827 /nfs/dbraw/zinc/38/88/27/974388827.db2.gz YEBXZCNDMPXGLF-RQJABVFESA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1CO)C2 ZINC001172122242 974388836 /nfs/dbraw/zinc/38/88/36/974388836.db2.gz YEBXZCNDMPXGLF-RQJABVFESA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1CO)C2 ZINC001172122242 974388842 /nfs/dbraw/zinc/38/88/42/974388842.db2.gz YEBXZCNDMPXGLF-RQJABVFESA-N 2 1 238.375 1.458 20 0 BDADMP C[N@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1(C)COC1 ZINC001172121094 974390488 /nfs/dbraw/zinc/39/04/88/974390488.db2.gz CIGGJTUPNKEHER-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1(C)COC1 ZINC001172121094 974390501 /nfs/dbraw/zinc/39/05/01/974390501.db2.gz CIGGJTUPNKEHER-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1(C)COC1 ZINC001172121094 974390507 /nfs/dbraw/zinc/39/05/07/974390507.db2.gz CIGGJTUPNKEHER-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1(C)COC1 ZINC001172121094 974390512 /nfs/dbraw/zinc/39/05/12/974390512.db2.gz CIGGJTUPNKEHER-ITGUQSILSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123972 974392794 /nfs/dbraw/zinc/39/27/94/974392794.db2.gz ICPZAIXQDJWIEH-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123972 974392808 /nfs/dbraw/zinc/39/28/08/974392808.db2.gz ICPZAIXQDJWIEH-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123972 974392819 /nfs/dbraw/zinc/39/28/19/974392819.db2.gz ICPZAIXQDJWIEH-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123972 974392829 /nfs/dbraw/zinc/39/28/29/974392829.db2.gz ICPZAIXQDJWIEH-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H]1c2ccccc2NC1(C)C ZINC001330832920 974497962 /nfs/dbraw/zinc/49/79/62/974497962.db2.gz VFEJAZAFKOHWDI-JOYOIKCWSA-N 2 1 219.332 1.869 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172242739 974511226 /nfs/dbraw/zinc/51/12/26/974511226.db2.gz GSZAVRJOFCOPTA-AXOHJZAGSA-N 2 1 248.370 1.356 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172242739 974511233 /nfs/dbraw/zinc/51/12/33/974511233.db2.gz GSZAVRJOFCOPTA-AXOHJZAGSA-N 2 1 248.370 1.356 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172242739 974511238 /nfs/dbraw/zinc/51/12/38/974511238.db2.gz GSZAVRJOFCOPTA-AXOHJZAGSA-N 2 1 248.370 1.356 20 0 BDADMP C[N@H+]1CC[C@H](Oc2ccc(CC(=[NH2+])NO)cc2)C1 ZINC001225544964 974547863 /nfs/dbraw/zinc/54/78/63/974547863.db2.gz ZGZSKJFPGILSCD-LBPRGKRZSA-N 2 1 249.314 1.268 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)[nH]1 ZINC001206164170 974631479 /nfs/dbraw/zinc/63/14/79/974631479.db2.gz JHTQULWHKBUDCZ-NWDGAFQWSA-N 2 1 225.311 1.584 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)[nH]1 ZINC001206164170 974631488 /nfs/dbraw/zinc/63/14/88/974631488.db2.gz JHTQULWHKBUDCZ-NWDGAFQWSA-N 2 1 225.311 1.584 20 0 BDADMP Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3C)cc[nH+]1 ZINC001277064399 974643034 /nfs/dbraw/zinc/64/30/34/974643034.db2.gz JXFDTFZTANBMJW-STQMWFEESA-N 2 1 217.316 1.673 20 0 BDADMP Cc1cc(N2CC[C@H]3C[N@H+](C)C[C@H]32)cc[nH+]1 ZINC001277064271 974644219 /nfs/dbraw/zinc/64/42/19/974644219.db2.gz ILVXMCXSBCYVHL-WCQYABFASA-N 2 1 217.316 1.530 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC001331418836 974712941 /nfs/dbraw/zinc/71/29/41/974712941.db2.gz LELBFFIEWSYEIA-WOPDTQHZSA-N 3 1 213.369 1.105 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172389673 974736977 /nfs/dbraw/zinc/73/69/77/974736977.db2.gz PSHQNAFSUBBKEL-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCc2c1cccc2F ZINC001331513336 974745298 /nfs/dbraw/zinc/74/52/98/974745298.db2.gz CALXSQGCZSHMCV-ZANVPECISA-N 2 1 238.306 1.064 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnccn2)CC1(C)C ZINC001331693704 974794089 /nfs/dbraw/zinc/79/40/89/974794089.db2.gz VTJHELXKYWEBLK-LBPRGKRZSA-N 2 1 248.374 1.482 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@H]1CN ZINC001172450674 974814239 /nfs/dbraw/zinc/81/42/39/974814239.db2.gz ZVTXCIDBDVPRGI-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172450674 974814246 /nfs/dbraw/zinc/81/42/46/974814246.db2.gz ZVTXCIDBDVPRGI-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206167040 974883945 /nfs/dbraw/zinc/88/39/45/974883945.db2.gz WGPQJIXMRGWHRQ-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206167040 974883948 /nfs/dbraw/zinc/88/39/48/974883948.db2.gz WGPQJIXMRGWHRQ-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001172584987 974889883 /nfs/dbraw/zinc/88/98/83/974889883.db2.gz DCHRDWMIUZPGFA-ZJUUUORDSA-N 2 1 228.336 1.045 20 0 BDADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H]([NH3+])C1)CC2 ZINC001172825397 974947655 /nfs/dbraw/zinc/94/76/55/974947655.db2.gz GSRMXLWBIFGXHE-CABCVRRESA-N 2 1 230.355 1.885 20 0 BDADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H]([NH3+])C1)CC2 ZINC001172825397 974947661 /nfs/dbraw/zinc/94/76/61/974947661.db2.gz GSRMXLWBIFGXHE-CABCVRRESA-N 2 1 230.355 1.885 20 0 BDADMP CO[C@H]1CCC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001172941252 974998752 /nfs/dbraw/zinc/99/87/52/974998752.db2.gz DVPKXCJNPYXGKG-STQMWFEESA-N 2 1 249.358 1.699 20 0 BDADMP CO[C@H]1CCC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001172941252 974998757 /nfs/dbraw/zinc/99/87/57/974998757.db2.gz DVPKXCJNPYXGKG-STQMWFEESA-N 2 1 249.358 1.699 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173039089 975014364 /nfs/dbraw/zinc/01/43/64/975014364.db2.gz AZRLSKJDVIRPKD-GFCCVEGCSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173039089 975014366 /nfs/dbraw/zinc/01/43/66/975014366.db2.gz AZRLSKJDVIRPKD-GFCCVEGCSA-N 2 1 238.375 1.759 20 0 BDADMP Nc1ccccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197252 975088341 /nfs/dbraw/zinc/08/83/41/975088341.db2.gz HBLDORQLXRWNNM-YPMHNXCESA-N 2 1 237.322 1.530 20 0 BDADMP Nc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197252 975088349 /nfs/dbraw/zinc/08/83/49/975088349.db2.gz HBLDORQLXRWNNM-YPMHNXCESA-N 2 1 237.322 1.530 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)c2nc(C[NH3+])ccc2C)C1 ZINC001173347876 975287445 /nfs/dbraw/zinc/28/74/45/975287445.db2.gz HUJLPBHTJQTHJA-CYBMUJFWSA-N 2 1 248.374 1.379 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001332814684 975287769 /nfs/dbraw/zinc/28/77/69/975287769.db2.gz BOLLBTCJMTZSLN-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)c2nc(C[NH3+])ccc2C)C1 ZINC001173347877 975288850 /nfs/dbraw/zinc/28/88/50/975288850.db2.gz HUJLPBHTJQTHJA-ZDUSSCGKSA-N 2 1 248.374 1.379 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC001173348561 975292245 /nfs/dbraw/zinc/29/22/45/975292245.db2.gz RBSJRUBBYWGPEL-KGLIPLIRSA-N 2 1 245.370 1.471 20 0 BDADMP CC[N@H+]1CC[C@H](NC(C)(C)C(C)(C)[NH3+])C1 ZINC001173360306 975326982 /nfs/dbraw/zinc/32/69/82/975326982.db2.gz NWGIETFKVSNEKD-JTQLQIEISA-N 2 1 213.369 1.186 20 0 BDADMP CCN1CC[C@H]([NH2+]C(C)(C)C(C)(C)[NH3+])C1 ZINC001173360306 975326993 /nfs/dbraw/zinc/32/69/93/975326993.db2.gz NWGIETFKVSNEKD-JTQLQIEISA-N 2 1 213.369 1.186 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001173365933 975342314 /nfs/dbraw/zinc/34/23/14/975342314.db2.gz SGWADYJSFXHAAF-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+]1CC[C@@H](N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001173365933 975342320 /nfs/dbraw/zinc/34/23/20/975342320.db2.gz SGWADYJSFXHAAF-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+]1CC[C@@H](N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001173365933 975342332 /nfs/dbraw/zinc/34/23/32/975342332.db2.gz SGWADYJSFXHAAF-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001173365382 975343837 /nfs/dbraw/zinc/34/38/37/975343837.db2.gz HBNXIGZQWGJPPF-KBPBESRZSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CCC[NH+]2CCCC2)C1 ZINC001173365902 975343893 /nfs/dbraw/zinc/34/38/93/975343893.db2.gz RTKUYTYNXGOGER-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001173365931 975347619 /nfs/dbraw/zinc/34/76/19/975347619.db2.gz SGWADYJSFXHAAF-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001173365931 975347625 /nfs/dbraw/zinc/34/76/25/975347625.db2.gz SGWADYJSFXHAAF-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001173365931 975347634 /nfs/dbraw/zinc/34/76/34/975347634.db2.gz SGWADYJSFXHAAF-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CC[NH+]2CCCC2)C1 ZINC001173370201 975359439 /nfs/dbraw/zinc/35/94/39/975359439.db2.gz FLTAPTCXWHCGII-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)[C@@H](C)C2)C1 ZINC001173375249 975362673 /nfs/dbraw/zinc/36/26/73/975362673.db2.gz SBGWHYAAAZAXLF-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@H+](C(C)C)[C@@H](C)C2)C1 ZINC001173375249 975362679 /nfs/dbraw/zinc/36/26/79/975362679.db2.gz SBGWHYAAAZAXLF-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@@H+](C(C)C)[C@@H](C)C2)C1 ZINC001173375249 975362686 /nfs/dbraw/zinc/36/26/86/975362686.db2.gz SBGWHYAAAZAXLF-KBPBESRZSA-N 2 1 239.407 1.495 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](C)C(C)(C)C2)C1 ZINC001173373455 975363124 /nfs/dbraw/zinc/36/31/24/975363124.db2.gz XHBYSGOKKBPSJO-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001173373455 975363129 /nfs/dbraw/zinc/36/31/29/975363129.db2.gz XHBYSGOKKBPSJO-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001173373455 975363135 /nfs/dbraw/zinc/36/31/35/975363135.db2.gz XHBYSGOKKBPSJO-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP COC(=O)CCCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001173439884 975377239 /nfs/dbraw/zinc/37/72/39/975377239.db2.gz YEZAKMXFMGAOMT-SNVBAGLBSA-N 2 1 230.352 1.435 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001173444550 975386874 /nfs/dbraw/zinc/38/68/74/975386874.db2.gz KLAKAHNNFNSBNP-RYUDHWBXSA-N 2 1 244.379 1.635 20 0 BDADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC001173641983 975514602 /nfs/dbraw/zinc/51/46/02/975514602.db2.gz OKCVICXDSLXMJF-SRVKXCTJSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)C[C@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)C1 ZINC001173641983 975514623 /nfs/dbraw/zinc/51/46/23/975514623.db2.gz OKCVICXDSLXMJF-SRVKXCTJSA-N 2 1 240.347 1.141 20 0 BDADMP COC1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC001333335007 975669728 /nfs/dbraw/zinc/66/97/28/975669728.db2.gz ABHFIIUCACZFHE-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP COC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC001333335007 975669741 /nfs/dbraw/zinc/66/97/41/975669741.db2.gz ABHFIIUCACZFHE-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)C1 ZINC001334356253 976466353 /nfs/dbraw/zinc/46/63/53/976466353.db2.gz VUJNVESIQYZUBZ-REWJHTLYSA-N 2 1 240.391 1.731 20 0 BDADMP C[NH+](C)Cc1ccccc1O[C@H]1CC[N@@H+](C)C1 ZINC001229700090 976956167 /nfs/dbraw/zinc/95/61/67/976956167.db2.gz VTINNBTVBGVRBN-ZDUSSCGKSA-N 2 1 234.343 1.831 20 0 BDADMP NC[C@@H]1Cc2ccccc2C[N@@H+]1C1CCOCC1 ZINC000721619645 977570787 /nfs/dbraw/zinc/57/07/87/977570787.db2.gz ZPYVVGMFRBSGMY-HNNXBMFYSA-N 2 1 246.354 1.551 20 0 BDADMP c1c(CCNc2cc[nH+]cc2)[nH+]c2n1CCCC2 ZINC001336392417 977656067 /nfs/dbraw/zinc/65/60/67/977656067.db2.gz RZURZLCPDXBBTB-UHFFFAOYSA-N 2 1 242.326 1.691 20 0 BDADMP COC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277584448 977790331 /nfs/dbraw/zinc/79/03/31/977790331.db2.gz JMEMUVPCECYVGP-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP COC(C)(C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277584448 977790338 /nfs/dbraw/zinc/79/03/38/977790338.db2.gz JMEMUVPCECYVGP-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP COC(C)(C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277584448 977790347 /nfs/dbraw/zinc/79/03/47/977790347.db2.gz JMEMUVPCECYVGP-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001336603110 977808137 /nfs/dbraw/zinc/80/81/37/977808137.db2.gz YMNVJESPAPLZRI-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001336603110 977808141 /nfs/dbraw/zinc/80/81/41/977808141.db2.gz YMNVJESPAPLZRI-UONOGXRCSA-N 2 1 249.358 1.692 20 0 BDADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CCOC1 ZINC001232013948 977839782 /nfs/dbraw/zinc/83/97/82/977839782.db2.gz IFPCWHPQQPBAQU-GFCCVEGCSA-N 2 1 231.299 1.784 20 0 BDADMP CN(Cc1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC001232014577 977843941 /nfs/dbraw/zinc/84/39/41/977843941.db2.gz RBVYNRSGKGRUEU-ZDUSSCGKSA-N 2 1 244.342 1.699 20 0 BDADMP C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015890 977846438 /nfs/dbraw/zinc/84/64/38/977846438.db2.gz NOPMHURQEPEIMS-STQMWFEESA-N 2 1 242.326 1.451 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc[nH]n2)CC1 ZINC001206292846 978288249 /nfs/dbraw/zinc/28/82/49/978288249.db2.gz DRSQNZXNHHGXKF-LBPRGKRZSA-N 2 1 222.336 1.361 20 0 BDADMP CC[N@@H+]1CC[C@@H](N[C@H](C)C[NH+]2CCCC2)C1 ZINC000328331387 978292689 /nfs/dbraw/zinc/29/26/89/978292689.db2.gz HQGJAJUYYXNUCC-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@H](C)C[NH+]2CCCC2)C1 ZINC000328331387 978292696 /nfs/dbraw/zinc/29/26/96/978292696.db2.gz HQGJAJUYYXNUCC-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]cc1 ZINC001337708081 978466861 /nfs/dbraw/zinc/46/68/61/978466861.db2.gz CQXWDCDAUDBOMP-QWRGUYRKSA-N 2 1 205.305 1.610 20 0 BDADMP CC(C)[C@@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001177920247 978472304 /nfs/dbraw/zinc/47/23/04/978472304.db2.gz RQTMTSFGYGAQSQ-ZDUSSCGKSA-N 2 1 237.347 1.254 20 0 BDADMP C[C@H](CO)[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC001337839012 978524086 /nfs/dbraw/zinc/52/40/86/978524086.db2.gz ZRDJFNWKKZSGPW-YUELXQCFSA-N 2 1 248.370 1.607 20 0 BDADMP NC[C@@]1(F)CCCC[N@@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206336709 978600702 /nfs/dbraw/zinc/60/07/02/978600702.db2.gz NMWJJCOKIBKQBL-CPCZMJQVSA-N 2 1 241.354 1.021 20 0 BDADMP [NH3+]C[C@@]1(F)CCCCN(CC23CC([NH3+])(C2)C3)C1 ZINC001206336709 978600703 /nfs/dbraw/zinc/60/07/03/978600703.db2.gz NMWJJCOKIBKQBL-CPCZMJQVSA-N 2 1 241.354 1.021 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(CO)c3)[C@H]2C1 ZINC001338296291 978656047 /nfs/dbraw/zinc/65/60/47/978656047.db2.gz HNFMDFSAESNLBX-LEWSCRJBSA-N 2 1 247.342 1.326 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001179816625 978760016 /nfs/dbraw/zinc/76/00/16/978760016.db2.gz MNGPELRFFQKYIM-AEGPPILISA-N 2 1 245.370 1.820 20 0 BDADMP CC(C)[NH+]1CCC(N(C)c2cc(N)[nH+]cn2)CC1 ZINC001339522351 978863544 /nfs/dbraw/zinc/86/35/44/978863544.db2.gz LMEKMGOGLOREOS-UHFFFAOYSA-N 2 1 249.362 1.368 20 0 BDADMP CC(C)(C)CCN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234981595 978941417 /nfs/dbraw/zinc/94/14/17/978941417.db2.gz OTWGLJYDTHNKDF-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP Cc1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234983947 978945321 /nfs/dbraw/zinc/94/53/21/978945321.db2.gz ZZESJFOJLPFQKH-HNNXBMFYSA-N 2 1 245.370 1.132 20 0 BDADMP OCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038329 978959264 /nfs/dbraw/zinc/95/92/64/978959264.db2.gz GSCRDDPBJBKFES-CQSZACIVSA-N 2 1 240.391 1.757 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052539 978963496 /nfs/dbraw/zinc/96/34/96/978963496.db2.gz GXWNHYMCXGNJIR-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]C12CC(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)(C1)C2 ZINC001235122730 978978989 /nfs/dbraw/zinc/97/89/89/978978989.db2.gz ILAWJVOAXXIASP-JXQTWKCFSA-N 3 1 235.375 1.086 20 0 BDADMP [NH3+]C12CC(C[N@H+]3CCCC[C@]34CC[NH2+]C4)(C1)C2 ZINC001235122730 978978995 /nfs/dbraw/zinc/97/89/95/978978995.db2.gz ILAWJVOAXXIASP-JXQTWKCFSA-N 3 1 235.375 1.086 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235126636 978980826 /nfs/dbraw/zinc/98/08/26/978980826.db2.gz VPNHMDZUCUFZIH-JHJVBQTASA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@H](N)C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154974 978984117 /nfs/dbraw/zinc/98/41/17/978984117.db2.gz XJOIUQZFTXEJOX-UONOGXRCSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH3+])CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154974 978984119 /nfs/dbraw/zinc/98/41/19/978984119.db2.gz XJOIUQZFTXEJOX-UONOGXRCSA-N 2 1 239.407 1.578 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166996 978988100 /nfs/dbraw/zinc/98/81/00/978988100.db2.gz XPLROZMMDAYOMA-GXTWGEPZSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166996 978988106 /nfs/dbraw/zinc/98/81/06/978988106.db2.gz XPLROZMMDAYOMA-GXTWGEPZSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H]3C[C@@]3(N)C2)CC1 ZINC001235166996 978988112 /nfs/dbraw/zinc/98/81/12/978988112.db2.gz XPLROZMMDAYOMA-GXTWGEPZSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H]3C[C@@]3(N)C2)CC1 ZINC001235166996 978988117 /nfs/dbraw/zinc/98/81/17/978988117.db2.gz XPLROZMMDAYOMA-GXTWGEPZSA-N 2 1 237.391 1.141 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235241025 979004292 /nfs/dbraw/zinc/00/42/92/979004292.db2.gz PNJUQRKJEWUDRJ-BFHYXJOUSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235241025 979004297 /nfs/dbraw/zinc/00/42/97/979004297.db2.gz PNJUQRKJEWUDRJ-BFHYXJOUSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235241025 979004303 /nfs/dbraw/zinc/00/43/03/979004303.db2.gz PNJUQRKJEWUDRJ-BFHYXJOUSA-N 2 1 237.391 1.189 20 0 BDADMP OCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400444 979035826 /nfs/dbraw/zinc/03/58/26/979035826.db2.gz CZEYOMUXEVVLRL-STQMWFEESA-N 2 1 244.354 1.173 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2cc(O)ccc2C1 ZINC001235440250 979045758 /nfs/dbraw/zinc/04/57/58/979045758.db2.gz CMNAGMOWLWMMQO-UHFFFAOYSA-N 2 1 220.316 1.489 20 0 BDADMP Cc1ncn(C)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001235536574 979081025 /nfs/dbraw/zinc/08/10/25/979081025.db2.gz FJRSIVKCSQDNKK-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1ncn(C)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001235536574 979081033 /nfs/dbraw/zinc/08/10/33/979081033.db2.gz FJRSIVKCSQDNKK-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1ncn(C)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001235536574 979081045 /nfs/dbraw/zinc/08/10/45/979081045.db2.gz FJRSIVKCSQDNKK-OLZOCXBDSA-N 2 1 248.374 1.112 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001235673227 979114281 /nfs/dbraw/zinc/11/42/81/979114281.db2.gz MWLIWPUDRQSRNW-ZDUSSCGKSA-N 2 1 219.332 1.610 20 0 BDADMP C[C@@H](CC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001206454371 979119823 /nfs/dbraw/zinc/11/98/23/979119823.db2.gz DKNSNPCGUNRRFR-RWMBFGLXSA-N 2 1 242.407 1.700 20 0 BDADMP CC(C)[NH+]1CCC(C[N@H+](C)C[C@H](C)N)CC1 ZINC001235676541 979121091 /nfs/dbraw/zinc/12/10/91/979121091.db2.gz SJXGUHNOTIVGGL-LBPRGKRZSA-N 2 1 227.396 1.386 20 0 BDADMP CC(C)[NH+]1CCC(CN(C)C[C@H](C)[NH3+])CC1 ZINC001235676541 979121099 /nfs/dbraw/zinc/12/10/99/979121099.db2.gz SJXGUHNOTIVGGL-LBPRGKRZSA-N 2 1 227.396 1.386 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001235705326 979131477 /nfs/dbraw/zinc/13/14/77/979131477.db2.gz KJQJMNVPKHXYDA-GFCCVEGCSA-N 2 1 219.332 1.610 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H](C)C1 ZINC001235820243 979157341 /nfs/dbraw/zinc/15/73/41/979157341.db2.gz LEGDZKUKTZTKFM-UTUOFQBUSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H](C)C1 ZINC001235820243 979157349 /nfs/dbraw/zinc/15/73/49/979157349.db2.gz LEGDZKUKTZTKFM-UTUOFQBUSA-N 2 1 226.364 1.831 20 0 BDADMP CC(C)[N@@H+](CCN)CCC1CC[NH2+]CC1 ZINC001235948843 979197066 /nfs/dbraw/zinc/19/70/66/979197066.db2.gz SXQQDZLRUWRKQZ-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)N(CC[NH3+])CCC1CC[NH2+]CC1 ZINC001235948843 979197074 /nfs/dbraw/zinc/19/70/74/979197074.db2.gz SXQQDZLRUWRKQZ-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235958263 979224931 /nfs/dbraw/zinc/22/49/31/979224931.db2.gz CDUQTTLXOQQNRB-FQUUOJAGSA-N 3 1 237.391 1.045 20 0 BDADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235958263 979224948 /nfs/dbraw/zinc/22/49/48/979224948.db2.gz CDUQTTLXOQQNRB-FQUUOJAGSA-N 2 1 237.391 1.045 20 0 BDADMP [NH3+]CCCC[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001235958392 979227580 /nfs/dbraw/zinc/22/75/80/979227580.db2.gz HZTOQBNPXKUNQL-UHFFFAOYSA-N 2 1 238.306 1.628 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1cccnc1)C2 ZINC001235977273 979239492 /nfs/dbraw/zinc/23/94/92/979239492.db2.gz FZRVTKFCGOSMNG-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1cccnc1)C2 ZINC001235977273 979239507 /nfs/dbraw/zinc/23/95/07/979239507.db2.gz FZRVTKFCGOSMNG-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001235980940 979243634 /nfs/dbraw/zinc/24/36/34/979243634.db2.gz SKCRGWXIKKIMHC-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981366 979259187 /nfs/dbraw/zinc/25/91/87/979259187.db2.gz QFESPVRJCRGZSI-UONOGXRCSA-N 2 1 216.328 1.918 20 0 BDADMP Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981366 979259201 /nfs/dbraw/zinc/25/92/01/979259201.db2.gz QFESPVRJCRGZSI-UONOGXRCSA-N 2 1 216.328 1.918 20 0 BDADMP CC1(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CCOCC1 ZINC001235980870 979260089 /nfs/dbraw/zinc/26/00/89/979260089.db2.gz RYIFFDCKNHANHJ-YPMHNXCESA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+][C@@]12CC[C@@H]1CN(Cc1[nH+]cn3ccccc13)C2 ZINC001235990706 979280444 /nfs/dbraw/zinc/28/04/44/979280444.db2.gz NPXBCLZRFYGQAN-BXUZGUMPSA-N 2 1 242.326 1.257 20 0 BDADMP CCC(CC)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993542 979284463 /nfs/dbraw/zinc/28/44/63/979284463.db2.gz OPDLSUCMWXDVCB-FUNVUKJBSA-N 2 1 226.364 1.328 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996672 979292092 /nfs/dbraw/zinc/29/20/92/979292092.db2.gz YNJVMYRILMWBER-SMDDNHRTSA-N 2 1 242.326 1.486 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996672 979292105 /nfs/dbraw/zinc/29/21/05/979292105.db2.gz YNJVMYRILMWBER-SMDDNHRTSA-N 2 1 242.326 1.486 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001236014168 979302140 /nfs/dbraw/zinc/30/21/40/979302140.db2.gz GJJMDJYARLCQHO-QWQWKMKNSA-N 2 1 204.317 1.232 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001236014168 979302151 /nfs/dbraw/zinc/30/21/51/979302151.db2.gz GJJMDJYARLCQHO-QWQWKMKNSA-N 2 1 204.317 1.232 20 0 BDADMP C[N@@H+](C1CC1)C1CCN(CCCCCO)CC1 ZINC001236093407 979385859 /nfs/dbraw/zinc/38/58/59/979385859.db2.gz HHTXTFDNCHEQDB-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+](C1CC1)C1CC[NH+](CCCCCO)CC1 ZINC001236093407 979385865 /nfs/dbraw/zinc/38/58/65/979385865.db2.gz HHTXTFDNCHEQDB-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+](C1CC1)C1CC[NH+](CCCCCO)CC1 ZINC001236093407 979385873 /nfs/dbraw/zinc/38/58/73/979385873.db2.gz HHTXTFDNCHEQDB-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(N)c2)CCC[NH2+]1 ZINC001236100085 979389177 /nfs/dbraw/zinc/38/91/77/979389177.db2.gz CWUQPXKLDBRFOI-NSHDSACASA-N 2 1 219.332 1.453 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(N)c2)CCC[NH2+]1 ZINC001236100085 979389181 /nfs/dbraw/zinc/38/91/81/979389181.db2.gz CWUQPXKLDBRFOI-NSHDSACASA-N 2 1 219.332 1.453 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CC/C=C/c1cccnc1 ZINC001236100982 979389712 /nfs/dbraw/zinc/38/97/12/979389712.db2.gz LGFXPTJXAWUOHS-UXONFWTHSA-N 2 1 219.332 1.764 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1N ZINC001236210513 979449426 /nfs/dbraw/zinc/44/94/26/979449426.db2.gz DERWOQZFCIEQQF-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@@H+](CCCCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236220934 979452091 /nfs/dbraw/zinc/45/20/91/979452091.db2.gz ARMDZFKRLDXVEQ-HAQNSBGRSA-N 2 1 214.353 1.351 20 0 BDADMP CC(C)CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315109 979525935 /nfs/dbraw/zinc/52/59/35/979525935.db2.gz VXYWOMYZISMCQX-BETUJISGSA-N 2 1 210.365 1.964 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314723 979526083 /nfs/dbraw/zinc/52/60/83/979526083.db2.gz FZXPGPVHQULBGX-BETUJISGSA-N 2 1 248.374 1.160 20 0 BDADMP CCOC(C)(C)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315261 979529788 /nfs/dbraw/zinc/52/97/88/979529788.db2.gz YNGYKWWSNJGAAA-BETUJISGSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[N@H+](CCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236469666 979605125 /nfs/dbraw/zinc/60/51/25/979605125.db2.gz UPNJIFUHVFNINX-CYBMUJFWSA-N 2 1 227.396 1.578 20 0 BDADMP CC(C)[N@@H+](CCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236469666 979605128 /nfs/dbraw/zinc/60/51/28/979605128.db2.gz UPNJIFUHVFNINX-CYBMUJFWSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H](CO)C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277994093 979688996 /nfs/dbraw/zinc/68/89/96/979688996.db2.gz JXXXSSRHSRSFCV-UONOGXRCSA-N 2 1 240.391 1.423 20 0 BDADMP CNCC[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768828 979725472 /nfs/dbraw/zinc/72/54/72/979725472.db2.gz QSZYQMCOABOABM-JOCQHMNTSA-N 2 1 241.423 1.824 20 0 BDADMP CNCC[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768828 979725481 /nfs/dbraw/zinc/72/54/81/979725481.db2.gz QSZYQMCOABOABM-JOCQHMNTSA-N 2 1 241.423 1.824 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC001236859182 979762367 /nfs/dbraw/zinc/76/23/67/979762367.db2.gz ILKFUNVFMBYEDH-AWEZNQCLSA-N 2 1 248.370 1.833 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC001236859182 979762378 /nfs/dbraw/zinc/76/23/78/979762378.db2.gz ILKFUNVFMBYEDH-AWEZNQCLSA-N 2 1 248.370 1.833 20 0 BDADMP CC[C@H](N)C[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001236861207 979765787 /nfs/dbraw/zinc/76/57/87/979765787.db2.gz WCBYPOZIHDHWHW-LBPRGKRZSA-N 2 1 227.396 1.387 20 0 BDADMP CC[C@H](N)C[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001236861207 979765792 /nfs/dbraw/zinc/76/57/92/979765792.db2.gz WCBYPOZIHDHWHW-LBPRGKRZSA-N 2 1 227.396 1.387 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C[NH3+])cc2)CC1 ZINC001205273195 979832451 /nfs/dbraw/zinc/83/24/51/979832451.db2.gz HJLPRFMZVCXABT-OAHLLOKOSA-N 3 1 247.386 1.849 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(C(F)F)C3)[C@@H]2C1 ZINC001184389152 980062614 /nfs/dbraw/zinc/06/26/14/980062614.db2.gz VIHOCNCPJBEKFK-HHTLKZDDSA-N 2 1 244.329 1.960 20 0 BDADMP COC[C@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102739 980149876 /nfs/dbraw/zinc/14/98/76/980149876.db2.gz HYUWVFSEXIEUPY-CQSZACIVSA-N 2 1 245.326 1.945 20 0 BDADMP COC[C@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102739 980149882 /nfs/dbraw/zinc/14/98/82/980149882.db2.gz HYUWVFSEXIEUPY-CQSZACIVSA-N 2 1 245.326 1.945 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CC3CCC2CC3)CCO1 ZINC000691663127 980381341 /nfs/dbraw/zinc/38/13/41/980381341.db2.gz RIIALDLFJSOIDT-PQAZSJQKSA-N 2 1 238.375 1.472 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CC3CCC2CC3)CCO1 ZINC000691663127 980381344 /nfs/dbraw/zinc/38/13/44/980381344.db2.gz RIIALDLFJSOIDT-PQAZSJQKSA-N 2 1 238.375 1.472 20 0 BDADMP c1ccc2c(c1)cncc2C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001345103123 980550534 /nfs/dbraw/zinc/55/05/34/980550534.db2.gz CFGUQSPYYNYXGE-FICVDOATSA-N 2 1 239.322 1.542 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(C)nn1C ZINC001345482652 980619057 /nfs/dbraw/zinc/61/90/57/980619057.db2.gz OOOOUEUNHOHANT-GXSJLCMTSA-N 2 1 224.352 1.377 20 0 BDADMP CCSC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000157051932 980821879 /nfs/dbraw/zinc/82/18/79/980821879.db2.gz SGXBORQHSHFXBR-JTQLQIEISA-N 2 1 216.394 1.812 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccccn2)CC1 ZINC001205545992 980945997 /nfs/dbraw/zinc/94/59/97/980945997.db2.gz ODKKJNXFXRHEHT-ZDUSSCGKSA-N 2 1 237.322 1.735 20 0 BDADMP COCOCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545365 980946098 /nfs/dbraw/zinc/94/60/98/980946098.db2.gz FQEYHEMYTOAHQS-GFCCVEGCSA-N 2 1 248.342 1.150 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)[C@H](C)O)C1 ZINC001191391032 981023387 /nfs/dbraw/zinc/02/33/87/981023387.db2.gz UCDCSBCSRFSZNJ-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)[C@H](C)O)C1 ZINC001191391032 981023393 /nfs/dbraw/zinc/02/33/93/981023393.db2.gz UCDCSBCSRFSZNJ-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)[C@H](C)O)C1 ZINC001191391032 981023398 /nfs/dbraw/zinc/02/33/98/981023398.db2.gz UCDCSBCSRFSZNJ-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP Cc1nccn1CCC[N@H+](C)CC1=NOCC1 ZINC001192349979 981147746 /nfs/dbraw/zinc/14/77/46/981147746.db2.gz XJZDCVLRLUOPOH-UHFFFAOYSA-N 2 1 236.319 1.290 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1=NOCC1 ZINC001192349979 981147753 /nfs/dbraw/zinc/14/77/53/981147753.db2.gz XJZDCVLRLUOPOH-UHFFFAOYSA-N 2 1 236.319 1.290 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncc[nH]2)CC[C@@H]1C[NH3+] ZINC001205603597 981174713 /nfs/dbraw/zinc/17/47/13/981174713.db2.gz QURKBUDVWYEXCF-GHMZBOCLSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC001205603541 981174811 /nfs/dbraw/zinc/17/48/11/981174811.db2.gz PZVIIMAQOTVHTH-AAEUAGOBSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2)CC[C@@H]1C[NH3+] ZINC001205604783 981180906 /nfs/dbraw/zinc/18/09/06/981180906.db2.gz WYHHFJJMHMZYPY-TZMCWYRMSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cncnc2)CC[C@H]1C[NH3+] ZINC001205618973 981236358 /nfs/dbraw/zinc/23/63/58/981236358.db2.gz ZSHQUAWXYNETGC-YPMHNXCESA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1C[NH3+] ZINC001205626910 981279946 /nfs/dbraw/zinc/27/99/46/981279946.db2.gz KPEDGWSZHOOQLE-DGCLKSJQSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(N)n2)CC[C@H]1C[NH3+] ZINC001205638822 981412778 /nfs/dbraw/zinc/41/27/78/981412778.db2.gz SGCUCAMXGZQNAF-RYUDHWBXSA-N 2 1 248.374 1.471 20 0 BDADMP c1cc2c(cc1C[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCC2 ZINC001580890855 981715583 /nfs/dbraw/zinc/71/55/83/981715583.db2.gz QSWQBXPVULPWEP-ZSHCYNCHSA-N 2 1 242.366 1.873 20 0 BDADMP c1ccc(CC[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001580892728 981726071 /nfs/dbraw/zinc/72/60/71/981726071.db2.gz DLFDQOJYFCNNLA-OLZOCXBDSA-N 2 1 231.343 1.165 20 0 BDADMP Cc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205662939 981766448 /nfs/dbraw/zinc/76/64/48/981766448.db2.gz FZOWBJRQZDUROU-OAHLLOKOSA-N 2 1 248.370 1.671 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CCC2CCCC2)C1 ZINC001205662957 981766928 /nfs/dbraw/zinc/76/69/28/981766928.db2.gz GGEIIKTZLFQRHH-CQSZACIVSA-N 2 1 240.391 1.742 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(C)(C)O)C1 ZINC000081571067 982672727 /nfs/dbraw/zinc/67/27/27/982672727.db2.gz JYEUXIUVMNAZMY-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2N)C1 ZINC001205851841 982835543 /nfs/dbraw/zinc/83/55/43/982835543.db2.gz CIWACMISQGMUNP-YPMHNXCESA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2N)C1 ZINC001205851841 982835547 /nfs/dbraw/zinc/83/55/47/982835547.db2.gz CIWACMISQGMUNP-YPMHNXCESA-N 2 1 233.359 1.828 20 0 BDADMP CN(C)c1cc[nH+]c(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241591850 982836373 /nfs/dbraw/zinc/83/63/73/982836373.db2.gz OJOLYACSCVJEDE-UHFFFAOYSA-N 2 1 243.314 1.155 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccccc2N)C1 ZINC001205851838 982858512 /nfs/dbraw/zinc/85/85/12/982858512.db2.gz CIWACMISQGMUNP-AAEUAGOBSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccccc2N)C1 ZINC001205851838 982858516 /nfs/dbraw/zinc/85/85/16/982858516.db2.gz CIWACMISQGMUNP-AAEUAGOBSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2N)C1 ZINC001205851838 982858521 /nfs/dbraw/zinc/85/85/21/982858521.db2.gz CIWACMISQGMUNP-AAEUAGOBSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2N)C1 ZINC001205851838 982858523 /nfs/dbraw/zinc/85/85/23/982858523.db2.gz CIWACMISQGMUNP-AAEUAGOBSA-N 2 1 233.359 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000690529124 983010334 /nfs/dbraw/zinc/01/03/34/983010334.db2.gz UIXOZSQPEZPBCX-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC001205916198 983187396 /nfs/dbraw/zinc/18/73/96/983187396.db2.gz SRAYNWBVCYMSAX-WFASDCNBSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@H]1[C@H](C[NH3+])CCCN1Cc1cccc(C[NH3+])c1 ZINC001205916198 983187398 /nfs/dbraw/zinc/18/73/98/983187398.db2.gz SRAYNWBVCYMSAX-WFASDCNBSA-N 2 1 247.386 1.705 20 0 BDADMP CC[N@@H+]1CCO[C@@H]2C[NH+](CC(C)(C)C)C[C@@H]2C1 ZINC001201434931 983239979 /nfs/dbraw/zinc/23/99/79/983239979.db2.gz FDGGBDZTZXABDT-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[NH+](CC(C)(C)C)C[C@@H]2C1 ZINC001201434931 983239997 /nfs/dbraw/zinc/23/99/97/983239997.db2.gz FDGGBDZTZXABDT-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@H+](CC(C)(C)C)C[C@@H]2C1 ZINC001201434931 983240015 /nfs/dbraw/zinc/24/00/15/983240015.db2.gz FDGGBDZTZXABDT-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@@H+](CC(C)(C)C)C[C@@H]2C1 ZINC001201434931 983240041 /nfs/dbraw/zinc/24/00/41/983240041.db2.gz FDGGBDZTZXABDT-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CC)CC1 ZINC001201583078 983346635 /nfs/dbraw/zinc/34/66/35/983346635.db2.gz SYMWORUSKXITHL-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CC)CC1 ZINC001201583078 983346644 /nfs/dbraw/zinc/34/66/44/983346644.db2.gz SYMWORUSKXITHL-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000082946478 983503543 /nfs/dbraw/zinc/50/35/43/983503543.db2.gz HMPZFULJWIQGKB-CYBMUJFWSA-N 2 1 226.364 1.033 20 0 BDADMP CCCC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001252107106 983668295 /nfs/dbraw/zinc/66/82/95/983668295.db2.gz DXTYARPXYQBCBQ-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC001205960123 983873265 /nfs/dbraw/zinc/87/32/65/983873265.db2.gz ZWAIDFIKDZMQIB-VXGBXAGGSA-N 2 1 240.372 1.204 20 0 BDADMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC001205960123 983873273 /nfs/dbraw/zinc/87/32/73/983873273.db2.gz ZWAIDFIKDZMQIB-VXGBXAGGSA-N 2 1 240.372 1.204 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc[nH]n2)CCC[C@H]1C[NH3+] ZINC001205981837 984187161 /nfs/dbraw/zinc/18/71/61/984187161.db2.gz HSENSZPMEIQUOW-QWRGUYRKSA-N 2 1 222.336 1.217 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])C34CCC4)[C@H]2C1 ZINC001578521160 984215503 /nfs/dbraw/zinc/21/55/03/984215503.db2.gz MGPMOLUOWRSYEY-QSLWVIQJSA-N 2 1 249.402 1.186 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[C@@H]1C[NH3+] ZINC001205983852 984215975 /nfs/dbraw/zinc/21/59/75/984215975.db2.gz PPHWLDCZQSRERR-HZSPNIEDSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(C)COC2)CCC[C@H]1C[NH3+] ZINC001205984317 984216814 /nfs/dbraw/zinc/21/68/14/984216814.db2.gz RURHCQDZDMGJAM-NEPJUHHUSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001205985433 984318916 /nfs/dbraw/zinc/31/89/16/984318916.db2.gz YEZHZVVEQBTESC-JSGCOSHPSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1noc2ncc(C[NH2+][C@H]3C[C@@H]([NH3+])C3)cc12 ZINC001579923741 984346944 /nfs/dbraw/zinc/34/69/44/984346944.db2.gz JJLRZPVPCKQVQY-AOOOYVTPSA-N 2 1 232.287 1.111 20 0 BDADMP COC(=[NH2+])c1cccc(C2=CC[NH2+]C2)c1 ZINC001243110654 984572604 /nfs/dbraw/zinc/57/26/04/984572604.db2.gz IABKVWWJUSPUKZ-UHFFFAOYSA-N 2 1 202.257 1.645 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001256719819 984574428 /nfs/dbraw/zinc/57/44/28/984574428.db2.gz UATANOAYWFCISI-JSGCOSHPSA-N 2 1 233.359 1.554 20 0 BDADMP CC[N@H+](Cc1cnn(C)c1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577743127 984680424 /nfs/dbraw/zinc/68/04/24/984680424.db2.gz NXJZDXSZMVVLJJ-WCQYABFASA-N 2 1 236.363 1.369 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000380153755 984732223 /nfs/dbraw/zinc/73/22/23/984732223.db2.gz JCZANIQBYKQHIO-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001577771078 984771939 /nfs/dbraw/zinc/77/19/39/984771939.db2.gz RLMXAONJPZUEKK-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP Cn1ccnc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276229258 984831909 /nfs/dbraw/zinc/83/19/09/984831909.db2.gz KMSQSTVLLURHCA-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1ccnc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276229258 984831912 /nfs/dbraw/zinc/83/19/12/984831912.db2.gz KMSQSTVLLURHCA-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1ccnc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276229258 984831914 /nfs/dbraw/zinc/83/19/14/984831914.db2.gz KMSQSTVLLURHCA-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]2)C12CCC2 ZINC001578093311 984846010 /nfs/dbraw/zinc/84/60/10/984846010.db2.gz HDSMTMLGRSTAET-GRYCIOLGSA-N 2 1 224.348 1.286 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001257034656 984847376 /nfs/dbraw/zinc/84/73/76/984847376.db2.gz XSBCYLKHYPCFGZ-ZJUUUORDSA-N 2 1 228.336 1.045 20 0 BDADMP C[C@@H]1CC([N@H+]2CCc3[nH+]ccn3CC2)C[C@@H](C)O1 ZINC001257098833 984851858 /nfs/dbraw/zinc/85/18/58/984851858.db2.gz IDEUDYFOVHELLR-VXGBXAGGSA-N 2 1 249.358 1.697 20 0 BDADMP C[C@@H]1CC([N@@H+]2CCc3[nH+]ccn3CC2)C[C@@H](C)O1 ZINC001257098833 984851860 /nfs/dbraw/zinc/85/18/60/984851860.db2.gz IDEUDYFOVHELLR-VXGBXAGGSA-N 2 1 249.358 1.697 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001578161714 984864513 /nfs/dbraw/zinc/86/45/13/984864513.db2.gz XEUMBEBRBXGJAE-NNYUYHANSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@@H](O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC001578226179 984878265 /nfs/dbraw/zinc/87/82/65/984878265.db2.gz WFIIEEJOEHFGLW-FIQHERPVSA-N 2 1 214.353 1.205 20 0 BDADMP CC[C@@H](O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC001578226179 984878268 /nfs/dbraw/zinc/87/82/68/984878268.db2.gz WFIIEEJOEHFGLW-FIQHERPVSA-N 2 1 214.353 1.205 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC001578241793 984894823 /nfs/dbraw/zinc/89/48/23/984894823.db2.gz MBBWNUREPLQTEC-AKPTZHPQSA-N 2 1 238.375 1.674 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1SC ZINC001578241706 984896416 /nfs/dbraw/zinc/89/64/16/984896416.db2.gz ISQLQRDUQOMFMW-YTWAJWBKSA-N 2 1 214.378 1.611 20 0 BDADMP CCc1c[nH]c2nc[nH+]c(N[C@H]3C[C@@H]([NH3+])C3)c12 ZINC001578245691 984898992 /nfs/dbraw/zinc/89/89/92/984898992.db2.gz FETDQPCFIPZJDK-DTORHVGOSA-N 2 1 231.303 1.422 20 0 BDADMP CCc1ccc2c(c1)C[N@H+](C[C@@H](O)CC[NH3+])CC2 ZINC001578263640 984911467 /nfs/dbraw/zinc/91/14/67/984911467.db2.gz RFIOVTNQSJPCDO-HNNXBMFYSA-N 2 1 248.370 1.317 20 0 BDADMP CCc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2O)c1 ZINC001578267011 984914384 /nfs/dbraw/zinc/91/43/84/984914384.db2.gz YZAHQGHKRQPEAQ-UONOGXRCSA-N 2 1 234.343 1.061 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001257411578 984961496 /nfs/dbraw/zinc/96/14/96/984961496.db2.gz VRLGMENPCAQWAK-QWRGUYRKSA-N 2 1 230.352 1.293 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001257411577 984962816 /nfs/dbraw/zinc/96/28/16/984962816.db2.gz VRLGMENPCAQWAK-MNOVXSKESA-N 2 1 230.352 1.293 20 0 BDADMP C[N@@H+](C[C@H]1COC(C)(C)O1)CC1CC[NH2+]CC1 ZINC001578457662 985092174 /nfs/dbraw/zinc/09/21/74/985092174.db2.gz DHXFVERXDUKTMC-LBPRGKRZSA-N 2 1 242.363 1.069 20 0 BDADMP C[N@@H+](CCN1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC001578471683 985105619 /nfs/dbraw/zinc/10/56/19/985105619.db2.gz HBGVYKZROFWUNI-OAHLLOKOSA-N 2 1 247.386 1.542 20 0 BDADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC001578470165 985107075 /nfs/dbraw/zinc/10/70/75/985107075.db2.gz QXSWSEGYRLVAQW-HNNXBMFYSA-N 2 1 247.386 1.412 20 0 BDADMP C[N@H+](CC[C@@H](O)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578478741 985111310 /nfs/dbraw/zinc/11/13/10/985111310.db2.gz QTQGFNHXQVFVAS-BARDWOONSA-N 2 1 246.354 1.260 20 0 BDADMP C[N@@H+](CC[C@@H](O)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578478741 985111319 /nfs/dbraw/zinc/11/13/19/985111319.db2.gz QTQGFNHXQVFVAS-BARDWOONSA-N 2 1 246.354 1.260 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)O1 ZINC000686514908 985126192 /nfs/dbraw/zinc/12/61/92/985126192.db2.gz KJESRDPUDIJKTR-NZEXEKPDSA-N 2 1 226.364 1.530 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001578523536 985144526 /nfs/dbraw/zinc/14/45/26/985144526.db2.gz MGILEIBITKRNBW-OKILXGFUSA-N 2 1 237.391 1.155 20 0 BDADMP C[NH+]1CCC(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001578523536 985144533 /nfs/dbraw/zinc/14/45/33/985144533.db2.gz MGILEIBITKRNBW-OKILXGFUSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CNC[C@H]([NH3+])CC(F)F ZINC001578528538 985159494 /nfs/dbraw/zinc/15/94/94/985159494.db2.gz IWDXJHKFAUDOIX-NXEZZACHSA-N 2 1 235.322 1.043 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC1OCCO1 ZINC000686610262 985163286 /nfs/dbraw/zinc/16/32/86/985163286.db2.gz DLBCADGJLYDAHA-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC001578653847 985274674 /nfs/dbraw/zinc/27/46/74/985274674.db2.gz FBKYTSHSFJFTEZ-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(c2ncccn2)CC1 ZINC001578686950 985286523 /nfs/dbraw/zinc/28/65/23/985286523.db2.gz FPRSPYVLPAKGNE-UHFFFAOYSA-N 2 1 234.347 1.266 20 0 BDADMP C[NH2+]CCC[N@H+]1CCc2cccc(C)c2C1 ZINC001578687062 985295643 /nfs/dbraw/zinc/29/56/43/985295643.db2.gz JDSOTXLNQRKVEB-UHFFFAOYSA-N 2 1 218.344 1.963 20 0 BDADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001578766400 985329638 /nfs/dbraw/zinc/32/96/38/985329638.db2.gz NVPKIZKSXYDNTB-JTQLQIEISA-N 2 1 240.347 1.060 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)C(C)C ZINC000687799143 985388234 /nfs/dbraw/zinc/38/82/34/985388234.db2.gz WFJAFPHOAMOGCK-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)C(C)C ZINC000687799143 985388248 /nfs/dbraw/zinc/38/82/48/985388248.db2.gz WFJAFPHOAMOGCK-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CCCCC1 ZINC001578912277 985515990 /nfs/dbraw/zinc/51/59/90/985515990.db2.gz BENVNXGLAMYEBT-MRVWCRGKSA-N 2 1 240.391 1.779 20 0 BDADMP COC1(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCC1 ZINC001578926044 985528064 /nfs/dbraw/zinc/52/80/64/985528064.db2.gz ARTYOCZVYBFAGM-NEPJUHHUSA-N 2 1 224.348 1.097 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC001578929794 985532312 /nfs/dbraw/zinc/53/23/12/985532312.db2.gz JOXOFUDLJHYJQK-GFCCVEGCSA-N 2 1 238.375 1.820 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000688053437 985544665 /nfs/dbraw/zinc/54/46/65/985544665.db2.gz NUJGDQGUDAVCPG-XQHKEYJVSA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578938633 985549814 /nfs/dbraw/zinc/54/98/14/985549814.db2.gz UCEVGOPEUOTFJA-MROQNXINSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001578940273 985556567 /nfs/dbraw/zinc/55/65/67/985556567.db2.gz CZNOSDPGWRPKSF-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+]CCOc1ccccc1 ZINC001579002421 985654754 /nfs/dbraw/zinc/65/47/54/985654754.db2.gz BRNLRCIJLBYGBH-LBPRGKRZSA-N 2 1 238.331 1.019 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[NH2+][C@@H]2C)O1 ZINC000688884128 985749206 /nfs/dbraw/zinc/74/92/06/985749206.db2.gz OOOHDXDSMMHNFT-LPWJVIDDSA-N 2 1 226.364 1.674 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717914596 985764228 /nfs/dbraw/zinc/76/42/28/985764228.db2.gz ZUXUZTVGVCEINZ-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001579132946 985808861 /nfs/dbraw/zinc/80/88/61/985808861.db2.gz JNMSWZGLGLFXTG-WHOHXGKFSA-N 2 1 212.337 1.223 20 0 BDADMP COc1cc(C[NH2+]CC2C[NH2+]C2)cc(OC)c1 ZINC001579152682 985814811 /nfs/dbraw/zinc/81/48/11/985814811.db2.gz ABWAEUQPZFBISR-UHFFFAOYSA-N 2 1 236.315 1.013 20 0 BDADMP COc1cccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)n1 ZINC001579277867 985830451 /nfs/dbraw/zinc/83/04/51/985830451.db2.gz OCIGOKALXMVLAY-NEPJUHHUSA-N 2 1 247.342 1.132 20 0 BDADMP COc1cccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)n1 ZINC001579277867 985830462 /nfs/dbraw/zinc/83/04/62/985830462.db2.gz OCIGOKALXMVLAY-NEPJUHHUSA-N 2 1 247.342 1.132 20 0 BDADMP COc1ccccc1[C@H](C)[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC001579315240 985834849 /nfs/dbraw/zinc/83/48/49/985834849.db2.gz AYQVVLNUSCDCAV-SLEUVZQESA-N 2 1 246.354 1.955 20 0 BDADMP CSCC[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579374953 985866498 /nfs/dbraw/zinc/86/64/98/985866498.db2.gz ZVIXDOYDHIEZOT-NWDGAFQWSA-N 2 1 228.405 1.800 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCC23CC([NH3+])(C2)C3)C1 ZINC001206606462 985925040 /nfs/dbraw/zinc/92/50/40/985925040.db2.gz NUUCLNBWFJTBNH-HSBZDZAISA-N 3 1 237.391 1.319 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1(O)CCCC1 ZINC001579454587 985945083 /nfs/dbraw/zinc/94/50/83/985945083.db2.gz MUJVPJHZBGRZAJ-NEPJUHHUSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC001579460716 985955743 /nfs/dbraw/zinc/95/57/43/985955743.db2.gz KGUWWXUGOHXRTR-PWSUYJOCSA-N 2 1 248.374 1.243 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC001579467503 985969088 /nfs/dbraw/zinc/96/90/88/985969088.db2.gz KPANIFZOWJOXFS-ZWNOBZJWSA-N 2 1 222.307 1.566 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC001579499440 986026544 /nfs/dbraw/zinc/02/65/44/986026544.db2.gz QRKAZHKPMHMOIS-GMTAPVOTSA-N 2 1 214.378 1.470 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC001579546875 986083729 /nfs/dbraw/zinc/08/37/29/986083729.db2.gz HFZUXKYWRFBGQI-MWLCHTKSSA-N 2 1 222.336 1.135 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(=O)[nH]2)C1 ZINC001206615024 986086677 /nfs/dbraw/zinc/08/66/77/986086677.db2.gz AOCGZQAFOIQAFG-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP Cc1ccc(C)c(C[NH2+]C[C@@]2(O)CC[NH2+]C2)c1 ZINC001579672980 986174156 /nfs/dbraw/zinc/17/41/56/986174156.db2.gz RHSSMOZPMIMMNH-CQSZACIVSA-N 2 1 234.343 1.117 20 0 BDADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c(F)c1 ZINC001579696840 986178981 /nfs/dbraw/zinc/17/89/81/986178981.db2.gz IRISLSUAJNRCQW-PHIMTYICSA-N 2 1 208.280 1.713 20 0 BDADMP Cc1cccc([C@@H](O)C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579752163 986212090 /nfs/dbraw/zinc/21/20/90/986212090.db2.gz XYUVXPQFFCWXFB-LJISPDSOSA-N 2 1 246.354 1.178 20 0 BDADMP Cc1cccc([C@@H](O)C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579752163 986212103 /nfs/dbraw/zinc/21/21/03/986212103.db2.gz XYUVXPQFFCWXFB-LJISPDSOSA-N 2 1 246.354 1.178 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC001462002669 986262477 /nfs/dbraw/zinc/26/24/77/986262477.db2.gz PFTBOIVMLCPZHY-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1ncsc1CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC001579888158 986305697 /nfs/dbraw/zinc/30/56/97/986305697.db2.gz QSWLWMVHAJPOQC-LLVKDONJSA-N 2 1 239.388 1.665 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccnc2N)C1 ZINC001462325813 986350552 /nfs/dbraw/zinc/35/05/52/986350552.db2.gz FZTZPQRFBGABCI-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP CO[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001462656276 986489163 /nfs/dbraw/zinc/48/91/63/986489163.db2.gz WJZPPWVSAYOUQX-XJFOESAGSA-N 2 1 240.391 1.683 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cc3c([nH]c2=O)CCCC3)C1 ZINC001580163201 986637591 /nfs/dbraw/zinc/63/75/91/986637591.db2.gz KSUKBIYGPLENKP-UHFFFAOYSA-N 2 1 247.342 1.245 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@](C)(O)CC2)CC1 ZINC001254515982 986650213 /nfs/dbraw/zinc/65/02/13/986650213.db2.gz IBCLIWQAMCFIQA-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC001254515982 986650219 /nfs/dbraw/zinc/65/02/19/986650219.db2.gz IBCLIWQAMCFIQA-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC001254515982 986650225 /nfs/dbraw/zinc/65/02/25/986650225.db2.gz IBCLIWQAMCFIQA-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254516547 986656763 /nfs/dbraw/zinc/65/67/63/986656763.db2.gz NWFAMGSYIHUHFU-AVGNSLFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254516547 986656776 /nfs/dbraw/zinc/65/67/76/986656776.db2.gz NWFAMGSYIHUHFU-AVGNSLFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254516547 986656784 /nfs/dbraw/zinc/65/67/84/986656784.db2.gz NWFAMGSYIHUHFU-AVGNSLFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1CC[C@@H](CO)[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254516547 986656799 /nfs/dbraw/zinc/65/67/99/986656799.db2.gz NWFAMGSYIHUHFU-AVGNSLFASA-N 2 1 226.364 1.316 20 0 BDADMP COC1(C)CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516778 986659420 /nfs/dbraw/zinc/65/94/20/986659420.db2.gz PCPUIAIRTMZVON-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC([NH+]3CCCC3)C2)CC1 ZINC001254522000 986667298 /nfs/dbraw/zinc/66/72/98/986667298.db2.gz AQRNUKZYKXKWNC-CYBMUJFWSA-N 2 1 237.391 1.251 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)C1CC1 ZINC001580229910 986678898 /nfs/dbraw/zinc/67/88/98/986678898.db2.gz WQMORIMBQBEPCT-CABCVRRESA-N 2 1 248.370 1.307 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C(C)(C)O ZINC000380234018 986696262 /nfs/dbraw/zinc/69/62/62/986696262.db2.gz LZAQSWOIQAYLKM-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP [NH3+]CCC1CC([NH2+]C[C@@H]2CN3CCC2CC3)C1 ZINC001580287143 986731590 /nfs/dbraw/zinc/73/15/90/986731590.db2.gz RGFFSJGIRBMIIA-HRDQMINSSA-N 2 1 237.391 1.045 20 0 BDADMP [NH3+]CCCOCC[NH2+]Cc1nc(Cl)cs1 ZINC001580301091 986735693 /nfs/dbraw/zinc/73/56/93/986735693.db2.gz ROCIIRKMXZEHLO-UHFFFAOYSA-N 2 1 249.767 1.252 20 0 BDADMP [NH3+]Cc1cccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC001580342849 986784172 /nfs/dbraw/zinc/78/41/72/986784172.db2.gz LELHVNYDFQHXIX-UONOGXRCSA-N 2 1 232.327 1.102 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](CC)CC)CC1CC1 ZINC000383573868 986817167 /nfs/dbraw/zinc/81/71/67/986817167.db2.gz KOVMOZJXPSYAJJ-CQSZACIVSA-N 2 1 242.407 1.811 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001580419231 986830674 /nfs/dbraw/zinc/83/06/74/986830674.db2.gz ZBDWPHVDDRAZDS-RGOKHQFPSA-N 2 1 216.275 1.311 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc3ccccc3n2)C1 ZINC001580431577 986850193 /nfs/dbraw/zinc/85/01/93/986850193.db2.gz MOGDHQONGBXPND-MGCOHNPYSA-N 2 1 228.299 1.209 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CCSC1 ZINC001255280154 986886591 /nfs/dbraw/zinc/88/65/91/986886591.db2.gz VLTTXPTXVLDTIX-VIFPVBQESA-N 2 1 211.334 1.452 20 0 BDADMP CN1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001255486656 986988237 /nfs/dbraw/zinc/98/82/37/986988237.db2.gz MYCCRIQIIJXCHI-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H](CC(F)(F)F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001255656245 987050921 /nfs/dbraw/zinc/05/09/21/987050921.db2.gz RYGRWLSGZTUVKD-LPEHRKFASA-N 2 1 236.281 1.821 20 0 BDADMP C[C@@H](CC(F)(F)F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001255656245 987050933 /nfs/dbraw/zinc/05/09/33/987050933.db2.gz RYGRWLSGZTUVKD-LPEHRKFASA-N 2 1 236.281 1.821 20 0 BDADMP C[C@@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001255656245 987050947 /nfs/dbraw/zinc/05/09/47/987050947.db2.gz RYGRWLSGZTUVKD-LPEHRKFASA-N 2 1 236.281 1.821 20 0 BDADMP C[C@@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001255656245 987050963 /nfs/dbraw/zinc/05/09/63/987050963.db2.gz RYGRWLSGZTUVKD-LPEHRKFASA-N 2 1 236.281 1.821 20 0 BDADMP c1ccn(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256067383 987125418 /nfs/dbraw/zinc/12/54/18/987125418.db2.gz MZDQEFQDWVRPKF-UHFFFAOYSA-N 2 1 233.359 1.705 20 0 BDADMP CCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001245991382 987272678 /nfs/dbraw/zinc/27/26/78/987272678.db2.gz KGZAGDAWZQNODV-AVGNSLFASA-N 2 1 228.380 1.515 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1O ZINC000691358428 987287591 /nfs/dbraw/zinc/28/75/91/987287591.db2.gz HLWURWGAZLVAFC-STQMWFEESA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246018623 987307542 /nfs/dbraw/zinc/30/75/42/987307542.db2.gz FZZPMTQBFCKVPS-NWDGAFQWSA-N 2 1 214.353 1.207 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246025344 987320793 /nfs/dbraw/zinc/32/07/93/987320793.db2.gz WWWSCXFZBIBQBA-KGLIPLIRSA-N 2 1 242.407 1.988 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246023982 987321101 /nfs/dbraw/zinc/32/11/01/987321101.db2.gz TWGWLVHZEJEDIN-OLZOCXBDSA-N 2 1 228.380 1.454 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000697034959 987347692 /nfs/dbraw/zinc/34/76/92/987347692.db2.gz QBRBQAWHPBABHV-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2(C)CCOCC2)C[NH2+]1 ZINC001246080088 987371987 /nfs/dbraw/zinc/37/19/87/987371987.db2.gz DRHNUXINOKGUHE-GHMZBOCLSA-N 2 1 212.337 1.286 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246083320 987382058 /nfs/dbraw/zinc/38/20/58/987382058.db2.gz GZCXZGAYQOGEGZ-RNJOBUHISA-N 2 1 226.364 1.674 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246083312 987382161 /nfs/dbraw/zinc/38/21/61/987382161.db2.gz GZCXZGAYQOGEGZ-CYDGBPFRSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C[NH2+]1 ZINC001246086440 987383687 /nfs/dbraw/zinc/38/36/87/987383687.db2.gz AHRGTXPTCKMFOK-PEBLQZBPSA-N 3 1 239.407 1.493 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)C[NH2+]1 ZINC001246087586 987388784 /nfs/dbraw/zinc/38/87/84/987388784.db2.gz YWUSHIITBRADNE-AAEUAGOBSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090862 987396668 /nfs/dbraw/zinc/39/66/68/987396668.db2.gz MCGJLQQRPOBWFH-OCCSQVGLSA-N 2 1 233.359 1.744 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246093080 987401251 /nfs/dbraw/zinc/40/12/51/987401251.db2.gz VCJZHEPRBRHJJD-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCC[NH2+]CC1 ZINC001246093030 987402955 /nfs/dbraw/zinc/40/29/55/987402955.db2.gz GRCCZCBSMWTVKM-CHWSQXEVSA-N 3 1 225.380 1.108 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246098974 987413598 /nfs/dbraw/zinc/41/35/98/987413598.db2.gz QSHYTQBWPDFXLD-CHWSQXEVSA-N 3 1 239.407 1.448 20 0 BDADMP F[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246098701 987413743 /nfs/dbraw/zinc/41/37/43/987413743.db2.gz RLZCSHWRLQQORR-GARJFASQSA-N 2 1 200.301 1.466 20 0 BDADMP C[NH2+]CC[C@H](C)[NH2+]C[C@]1(C)CCCC[NH2+]C1 ZINC001246104111 987429697 /nfs/dbraw/zinc/42/96/97/987429697.db2.gz UJPWITDYDHEMLT-QWHCGFSZSA-N 3 1 227.396 1.354 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCC2CC[NH2+]CC2)C[NH2+]1 ZINC001246105426 987434345 /nfs/dbraw/zinc/43/43/45/987434345.db2.gz MMJQFBFHVIJOCJ-GXTWGEPZSA-N 3 1 239.407 1.496 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246111411 987447199 /nfs/dbraw/zinc/44/71/99/987447199.db2.gz OAWZHWAXKCYILH-IGQOVBAYSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)[NH2+]1 ZINC001246113856 987449319 /nfs/dbraw/zinc/44/93/19/987449319.db2.gz ULSVEWNHRQOSJC-NDKCEZKHSA-N 3 1 239.407 1.493 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCC[N@H+](C)C1 ZINC001246113930 987451580 /nfs/dbraw/zinc/45/15/80/987451580.db2.gz UVQGJHKLNGRQRS-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCC[N@@H+](C)C1 ZINC001246113930 987451584 /nfs/dbraw/zinc/45/15/84/987451584.db2.gz UVQGJHKLNGRQRS-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCSC2)[NH2+]C1 ZINC001246116156 987454323 /nfs/dbraw/zinc/45/43/23/987454323.db2.gz UYCUVKGUTLDGRS-OUAUKWLOSA-N 2 1 214.378 1.470 20 0 BDADMP CC[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC001246116441 987458632 /nfs/dbraw/zinc/45/86/32/987458632.db2.gz FIRTWWLCBPEPRT-FVCCEPFGSA-N 2 1 226.364 1.532 20 0 BDADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[NH2+]C1 ZINC001246116941 987459862 /nfs/dbraw/zinc/45/98/62/987459862.db2.gz HBKMJLIJIGDMBF-HABKJSAYSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246120658 987468542 /nfs/dbraw/zinc/46/85/42/987468542.db2.gz NBBYLIVMZKRPGO-UMSGYPCISA-N 3 1 239.407 1.351 20 0 BDADMP CC1(C)C[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CCO1 ZINC001246132330 987482656 /nfs/dbraw/zinc/48/26/56/987482656.db2.gz LURAXPNPFQWFJZ-GHMZBOCLSA-N 2 1 224.348 1.286 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246136674 987493725 /nfs/dbraw/zinc/49/37/25/987493725.db2.gz VOKMBVANKVPQPD-REWJHTLYSA-N 2 1 238.375 1.698 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246147993 987508871 /nfs/dbraw/zinc/50/88/71/987508871.db2.gz NPWGDBBOQXXEQB-MQLXINIDSA-N 3 1 237.391 1.105 20 0 BDADMP [NH3+]CCCCCC[NH2+][C@H]1CCCCNC1 ZINC001246165903 987526760 /nfs/dbraw/zinc/52/67/60/987526760.db2.gz RZVGANZEICRGOR-LBPRGKRZSA-N 2 1 213.369 1.237 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246162770 987527822 /nfs/dbraw/zinc/52/78/22/987527822.db2.gz SDJOZPSNNAYUQE-KGLIPLIRSA-N 2 1 241.423 1.839 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246167689 987528478 /nfs/dbraw/zinc/52/84/78/987528478.db2.gz AAGQOAZFHXYROR-QWHCGFSZSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+](C)C)C[NH2+]1 ZINC001246174805 987541624 /nfs/dbraw/zinc/54/16/24/987541624.db2.gz XFHVDXSBHKUTDI-CHWSQXEVSA-N 3 1 227.396 1.448 20 0 BDADMP COC(=O)C1(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCC1 ZINC001246184315 987559663 /nfs/dbraw/zinc/55/96/63/987559663.db2.gz ZSHXCACAZKXEIU-GHMZBOCLSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CC[NH2+]1 ZINC001246184355 987561245 /nfs/dbraw/zinc/56/12/45/987561245.db2.gz KGDRZMQFEPZSRL-GXFFZTMASA-N 2 1 247.342 1.016 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246189067 987573811 /nfs/dbraw/zinc/57/38/11/987573811.db2.gz ZGSYVMRCWBNXGH-NWDGAFQWSA-N 2 1 242.363 1.450 20 0 BDADMP Cc1nc(N)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246200310 987595556 /nfs/dbraw/zinc/59/55/56/987595556.db2.gz PTVIDFLCOAFZMI-BXKDBHETSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246199303 987596594 /nfs/dbraw/zinc/59/65/94/987596594.db2.gz UNADWJIHOKRRKP-YVECIDJPSA-N 3 1 225.380 1.105 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246201025 987597229 /nfs/dbraw/zinc/59/72/29/987597229.db2.gz UDKUPUFIUITXLB-ZIAGYGMSSA-N 3 1 241.423 1.696 20 0 BDADMP CC1(C[NH2+][C@@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246209180 987607409 /nfs/dbraw/zinc/60/74/09/987607409.db2.gz FUZYXCUGZPDLCZ-GFCCVEGCSA-N 2 1 225.380 1.108 20 0 BDADMP C[C@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246220734 987620463 /nfs/dbraw/zinc/62/04/63/987620463.db2.gz FNNJDUJJOCEHAI-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC001246220734 987620466 /nfs/dbraw/zinc/62/04/66/987620466.db2.gz FNNJDUJJOCEHAI-XQQFMLRXSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246220734 987620470 /nfs/dbraw/zinc/62/04/70/987620470.db2.gz FNNJDUJJOCEHAI-XQQFMLRXSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H](C[NH2+]C1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001473931073 987620702 /nfs/dbraw/zinc/62/07/02/987620702.db2.gz DIXNADFXDADRFA-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](C[NH2+]C1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001473931073 987620707 /nfs/dbraw/zinc/62/07/07/987620707.db2.gz DIXNADFXDADRFA-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cncnc1 ZINC001246228561 987627486 /nfs/dbraw/zinc/62/74/86/987627486.db2.gz ILWGIRLOCAQODY-SCVCMEIPSA-N 2 1 220.320 1.268 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC001246238730 987638438 /nfs/dbraw/zinc/63/84/38/987638438.db2.gz ZGIIDMFQWOQJOS-YWPUVAFDSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)C[NH2+]1 ZINC001246248942 987645955 /nfs/dbraw/zinc/64/59/55/987645955.db2.gz MWKZYBDWOCSHBD-WRWGMCAJSA-N 2 1 212.337 1.020 20 0 BDADMP Cc1occc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246255587 987651973 /nfs/dbraw/zinc/65/19/73/987651973.db2.gz LXXHCXCSVIKRNE-CABZTGNLSA-N 2 1 208.305 1.818 20 0 BDADMP OC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccs1 ZINC001246255860 987653565 /nfs/dbraw/zinc/65/35/65/987653565.db2.gz CTNRXVDVLMRLIN-SNVBAGLBSA-N 2 1 226.345 1.123 20 0 BDADMP C(CC[NH2+][C@H]1CCC[NH2+]C1)CC[NH+]1CCCC1 ZINC001246273791 987671023 /nfs/dbraw/zinc/67/10/23/987671023.db2.gz VZIBKNJTVKNZCE-AWEZNQCLSA-N 3 1 239.407 1.594 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303318 987683432 /nfs/dbraw/zinc/68/34/32/987683432.db2.gz XGCRAMOHIMRFSL-YNEHKIRRSA-N 2 1 247.342 1.217 20 0 BDADMP CCC1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246296899 987691066 /nfs/dbraw/zinc/69/10/66/987691066.db2.gz CULAGMAPPQGBRA-MVKMKZAISA-N 2 1 226.364 1.125 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH3+])CC[NH2+]1 ZINC001246299983 987695301 /nfs/dbraw/zinc/69/53/01/987695301.db2.gz LBSKUPMYKLZLHF-XQQFMLRXSA-N 3 1 227.396 1.624 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246311622 987713408 /nfs/dbraw/zinc/71/34/08/987713408.db2.gz QJSXTCRJWFAAJX-KKOKHZNYSA-N 2 1 240.347 1.058 20 0 BDADMP c1ccc2c(c1)COC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246320236 987723600 /nfs/dbraw/zinc/72/36/00/987723600.db2.gz PPRPGOHYTOSULN-AWEZNQCLSA-N 2 1 232.327 1.600 20 0 BDADMP CC[C@H](N)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246320608 987728557 /nfs/dbraw/zinc/72/85/57/987728557.db2.gz YZLCIGJFKLXKAN-RYUDHWBXSA-N 2 1 225.380 1.236 20 0 BDADMP C[NH2+]CC[C@@H](C)NCc1cccc(C[NH2+]C)c1 ZINC001246321045 987729330 /nfs/dbraw/zinc/72/93/30/987729330.db2.gz AQJKEDYQFXKOEK-GFCCVEGCSA-N 2 1 235.375 1.494 20 0 BDADMP C[NH2+]Cc1cccc(CN[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246324361 987731945 /nfs/dbraw/zinc/73/19/45/987731945.db2.gz NLFOGDRNPKHDOZ-SWLSCSKDSA-N 2 1 247.386 1.636 20 0 BDADMP C[NH2+]Cc1cccc(CN[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246324359 987732053 /nfs/dbraw/zinc/73/20/53/987732053.db2.gz NLFOGDRNPKHDOZ-IUODEOHRSA-N 2 1 247.386 1.636 20 0 BDADMP C[NH2+]C1CCC([NH2+][C@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246333096 987741714 /nfs/dbraw/zinc/74/17/14/987741714.db2.gz UMBBWHSSHHRBDM-BPCQOVAHSA-N 3 1 239.407 1.495 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)C1 ZINC001474499099 987742248 /nfs/dbraw/zinc/74/22/48/987742248.db2.gz KADGTLSJHGEVLN-RFQIPJPRSA-N 2 1 238.375 1.341 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(CCO)CC2)C[NH2+]1 ZINC001246336475 987744611 /nfs/dbraw/zinc/74/46/11/987744611.db2.gz OPUHTYOVYQCNGV-BLYZHGLHSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(N)c2)C[NH2+]1 ZINC001246346437 987756308 /nfs/dbraw/zinc/75/63/08/987756308.db2.gz FEADBFSJVKVUCP-BXUZGUMPSA-N 2 1 233.359 1.541 20 0 BDADMP COC(=O)CCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246357965 987768404 /nfs/dbraw/zinc/76/84/04/987768404.db2.gz WUEHGQVVAJSHJW-QWRGUYRKSA-N 2 1 228.336 1.060 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2CC2CC2)CC[NH2+]1 ZINC001246426671 987794053 /nfs/dbraw/zinc/79/40/53/987794053.db2.gz IWWNNGRRMZBOIC-YPMHNXCESA-N 2 1 248.374 1.523 20 0 BDADMP CSCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451404 987809974 /nfs/dbraw/zinc/80/99/74/987809974.db2.gz GDXRMIDZONFFCQ-LLVKDONJSA-N 3 1 233.425 1.046 20 0 BDADMP CCCC[C@@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453868 987810874 /nfs/dbraw/zinc/81/08/74/987810874.db2.gz QNONZZBQGNXFCD-CYBMUJFWSA-N 3 1 229.412 1.873 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001474756803 987818120 /nfs/dbraw/zinc/81/81/20/987818120.db2.gz MCLGHCQIIOLCCO-XJFOESAGSA-N 2 1 248.374 1.201 20 0 BDADMP Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246462100 987818842 /nfs/dbraw/zinc/81/88/42/987818842.db2.gz CNBLFKAGMTVAAP-DHHPTOIESA-N 2 1 232.331 1.036 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C[NH2+]1 ZINC001246460549 987819577 /nfs/dbraw/zinc/81/95/77/987819577.db2.gz UVMGKUWEXODURW-NAWOPXAZSA-N 2 1 208.349 1.905 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246475463 987830797 /nfs/dbraw/zinc/83/07/97/987830797.db2.gz GGYGYMUAZXKURQ-XQQFMLRXSA-N 3 1 243.370 1.008 20 0 BDADMP CN1CCC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246475463 987830800 /nfs/dbraw/zinc/83/08/00/987830800.db2.gz GGYGYMUAZXKURQ-XQQFMLRXSA-N 2 1 243.370 1.008 20 0 BDADMP CCCCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246491046 987841838 /nfs/dbraw/zinc/84/18/38/987841838.db2.gz SGWLYFQQYQQRFJ-ZIAGYGMSSA-N 2 1 241.423 1.886 20 0 BDADMP CCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246490177 987843102 /nfs/dbraw/zinc/84/31/02/987843102.db2.gz OUAHBDBTPRBJQK-CHWSQXEVSA-N 2 1 227.396 1.496 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488891 987843211 /nfs/dbraw/zinc/84/32/11/987843211.db2.gz MIRYBOYSZDBIOC-RYUDHWBXSA-N 2 1 213.369 1.106 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246487632 987844830 /nfs/dbraw/zinc/84/48/30/987844830.db2.gz HYNXWWYDHIXUBX-XQQFMLRXSA-N 2 1 227.396 1.352 20 0 BDADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H]1CCNC(=O)C1 ZINC001246495757 987849769 /nfs/dbraw/zinc/84/97/69/987849769.db2.gz LKMCXSKUTRSWLZ-LLVKDONJSA-N 2 1 241.379 1.152 20 0 BDADMP c1cc2c(cn1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC001246502546 987856321 /nfs/dbraw/zinc/85/63/21/987856321.db2.gz FVSOWKAXYUANSU-AWEZNQCLSA-N 2 1 231.343 1.801 20 0 BDADMP c1cc2c(cn1)[C@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC001246502547 987857272 /nfs/dbraw/zinc/85/72/72/987857272.db2.gz FVSOWKAXYUANSU-CQSZACIVSA-N 2 1 231.343 1.801 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246514258 987865560 /nfs/dbraw/zinc/86/55/60/987865560.db2.gz IMCYTYQNENJOIG-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1CC[C@@H](n2cc[nH+]c2CCC[NH3+])C[NH2+]1 ZINC001246523279 987871585 /nfs/dbraw/zinc/87/15/85/987871585.db2.gz GFKKUFRSVXWZGY-GHMZBOCLSA-N 3 1 222.336 1.087 20 0 BDADMP C1C[NH2+]C[C@H]([N@@H+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001246524528 987876255 /nfs/dbraw/zinc/87/62/55/987876255.db2.gz GIEPHFQGXATFSD-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+]C[C@H]([N@H+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001246524528 987876256 /nfs/dbraw/zinc/87/62/56/987876256.db2.gz GIEPHFQGXATFSD-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@](C)([NH3+])C1)C2 ZINC001246531411 987885456 /nfs/dbraw/zinc/88/54/56/987885456.db2.gz QSVNKGMKCFNPEU-ZOBORPQBSA-N 2 1 237.391 1.425 20 0 BDADMP CCC[N@@H+](CC1CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246531838 987886175 /nfs/dbraw/zinc/88/61/75/987886175.db2.gz NYIFHGJVILVPOH-CYBMUJFWSA-N 2 1 237.391 1.202 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@](C)([NH3+])C1)C2 ZINC001246531695 987891652 /nfs/dbraw/zinc/89/16/52/987891652.db2.gz SHDATTLVWABENG-LOWDOPEQSA-N 2 1 223.364 1.035 20 0 BDADMP CCCC[C@H](CCC)[N@@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246537870 987899051 /nfs/dbraw/zinc/89/90/51/987899051.db2.gz DRALCXUBEFUXIS-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP CCCC[C@H](CCC)[N@H+]1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246537870 987899053 /nfs/dbraw/zinc/89/90/53/987899053.db2.gz DRALCXUBEFUXIS-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP CCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246539202 987899171 /nfs/dbraw/zinc/89/91/71/987899171.db2.gz CNRODPLDRFNTPW-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP CC[C@H]1C[C@@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540732 987906098 /nfs/dbraw/zinc/90/60/98/987906098.db2.gz KAMXNZYKHFLTAN-RNJOBUHISA-N 3 1 225.380 1.044 20 0 BDADMP CC[C@H]1C[C@@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246540732 987906102 /nfs/dbraw/zinc/90/61/02/987906102.db2.gz KAMXNZYKHFLTAN-RNJOBUHISA-N 3 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246544956 987916428 /nfs/dbraw/zinc/91/64/28/987916428.db2.gz IMZQNCBNYHIVID-YVECIDJPSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246544956 987916446 /nfs/dbraw/zinc/91/64/46/987916446.db2.gz IMZQNCBNYHIVID-YVECIDJPSA-N 3 1 225.380 1.329 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543907 987918850 /nfs/dbraw/zinc/91/88/50/987918850.db2.gz OVCXTVZXQUBORI-YPMHNXCESA-N 2 1 226.364 1.351 20 0 BDADMP CCCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246544208 987922078 /nfs/dbraw/zinc/92/20/78/987922078.db2.gz PMPFLUVEYDFWBS-OLZOCXBDSA-N 2 1 228.380 1.741 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246544954 987922643 /nfs/dbraw/zinc/92/26/43/987922643.db2.gz IMZQNCBNYHIVID-RNJOBUHISA-N 3 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001246544954 987922677 /nfs/dbraw/zinc/92/26/77/987922677.db2.gz IMZQNCBNYHIVID-RNJOBUHISA-N 3 1 225.380 1.329 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246544745 987923117 /nfs/dbraw/zinc/92/31/17/987923117.db2.gz YNDUOTOBTZGEAB-ODWCKFRGSA-N 2 1 224.348 1.510 20 0 BDADMP COC[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246547753 987925729 /nfs/dbraw/zinc/92/57/29/987925729.db2.gz NHWGIJJLNODHPZ-IJLUTSLNSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545973 987927360 /nfs/dbraw/zinc/92/73/60/987927360.db2.gz LWDBZGSAHBCETQ-SCRDCRAPSA-N 2 1 233.359 1.824 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545973 987927370 /nfs/dbraw/zinc/92/73/70/987927370.db2.gz LWDBZGSAHBCETQ-SCRDCRAPSA-N 2 1 233.359 1.824 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548170 987933653 /nfs/dbraw/zinc/93/36/53/987933653.db2.gz RZEOBCDMGBDPEB-TUAOUCFPSA-N 2 1 214.353 1.613 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548170 987933665 /nfs/dbraw/zinc/93/36/65/987933665.db2.gz RZEOBCDMGBDPEB-TUAOUCFPSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548056 987934189 /nfs/dbraw/zinc/93/41/89/987934189.db2.gz FGPPGNMBUGNAQT-RDBSUJKOSA-N 3 1 239.407 1.720 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246548056 987934198 /nfs/dbraw/zinc/93/41/98/987934198.db2.gz FGPPGNMBUGNAQT-RDBSUJKOSA-N 3 1 239.407 1.720 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548169 987934487 /nfs/dbraw/zinc/93/44/87/987934487.db2.gz RZEOBCDMGBDPEB-SRVKXCTJSA-N 2 1 214.353 1.613 20 0 BDADMP CCOCC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548169 987934491 /nfs/dbraw/zinc/93/44/91/987934491.db2.gz RZEOBCDMGBDPEB-SRVKXCTJSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246549515 987936163 /nfs/dbraw/zinc/93/61/63/987936163.db2.gz LBWARYWIOGPWNI-XJFOESAGSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246549506 987936853 /nfs/dbraw/zinc/93/68/53/987936853.db2.gz LBWARYWIOGPWNI-RQJABVFESA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001246551073 987945502 /nfs/dbraw/zinc/94/55/02/987945502.db2.gz KMAFBWZMSHKQKV-XJFOESAGSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246553403 987956707 /nfs/dbraw/zinc/95/67/07/987956707.db2.gz RMXIEQAFUNZVFT-WTUNAVPPSA-N 2 1 236.359 1.676 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246557381 987977266 /nfs/dbraw/zinc/97/72/66/987977266.db2.gz LHVFVEVRDWOXFQ-STQMWFEESA-N 2 1 246.370 1.954 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCSC2)CC[C@H]1C[NH3+] ZINC001246557240 987978938 /nfs/dbraw/zinc/97/89/38/987978938.db2.gz KDGVICAYJWFDRK-GRYCIOLGSA-N 2 1 228.405 1.799 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246563273 988008860 /nfs/dbraw/zinc/00/88/60/988008860.db2.gz PTRAUMDBKGXJLQ-ZOBORPQBSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CN1 ZINC001246564684 988016208 /nfs/dbraw/zinc/01/62/08/988016208.db2.gz FXGNEGGAGLFIOE-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CN1 ZINC001246564684 988016223 /nfs/dbraw/zinc/01/62/23/988016223.db2.gz FXGNEGGAGLFIOE-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC001246565883 988030754 /nfs/dbraw/zinc/03/07/54/988030754.db2.gz ZVWSJMNUTSYKPL-NEPJUHHUSA-N 2 1 244.404 1.058 20 0 BDADMP F[C@@H]1CCCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246567219 988032125 /nfs/dbraw/zinc/03/21/25/988032125.db2.gz MCASICBAEMTJGG-SNVBAGLBSA-N 2 1 200.301 1.562 20 0 BDADMP F[C@@H]1CCCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246567219 988032139 /nfs/dbraw/zinc/03/21/39/988032139.db2.gz MCASICBAEMTJGG-SNVBAGLBSA-N 2 1 200.301 1.562 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](F)C2)CC[NH2+]1 ZINC001246568329 988045304 /nfs/dbraw/zinc/04/53/04/988045304.db2.gz QWZWZAIMSPCMCZ-GRYCIOLGSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](F)C2)CC[NH2+]1 ZINC001246568329 988045310 /nfs/dbraw/zinc/04/53/10/988045310.db2.gz QWZWZAIMSPCMCZ-GRYCIOLGSA-N 2 1 214.328 1.951 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246573452 988076481 /nfs/dbraw/zinc/07/64/81/988076481.db2.gz COQFZENLOMTWPH-STQMWFEESA-N 2 1 243.370 1.234 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(CO)CC2)CC[NH2+]1 ZINC001246577450 988088688 /nfs/dbraw/zinc/08/86/88/988088688.db2.gz RKTVYEAFRJDHGH-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580076 988102645 /nfs/dbraw/zinc/10/26/45/988102645.db2.gz KPRXBIDGIPROGO-XUXIUFHCSA-N 2 1 242.407 1.843 20 0 BDADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580068 988103924 /nfs/dbraw/zinc/10/39/24/988103924.db2.gz KPRXBIDGIPROGO-CRWXNKLISA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581223 988107581 /nfs/dbraw/zinc/10/75/81/988107581.db2.gz ROHJQCLRVVRJRT-FRRDWIJNSA-N 2 1 228.380 1.453 20 0 BDADMP CN1CC[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246583358 988122032 /nfs/dbraw/zinc/12/20/32/988122032.db2.gz JURDXDKFUBVOFZ-OLZOCXBDSA-N 2 1 225.380 1.141 20 0 BDADMP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583658 988125043 /nfs/dbraw/zinc/12/50/43/988125043.db2.gz KPRXBIDGIPROGO-XDQVBPFNSA-N 2 1 242.407 1.843 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246582667 988126187 /nfs/dbraw/zinc/12/61/87/988126187.db2.gz SBMDWPVZQGNKIC-CHWSQXEVSA-N 3 1 227.396 1.435 20 0 BDADMP COC1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246584333 988134748 /nfs/dbraw/zinc/13/47/48/988134748.db2.gz JACZXVMEAMFVJY-TYUFSLCMSA-N 2 1 244.354 1.705 20 0 BDADMP COC1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246584333 988134759 /nfs/dbraw/zinc/13/47/59/988134759.db2.gz JACZXVMEAMFVJY-TYUFSLCMSA-N 2 1 244.354 1.705 20 0 BDADMP CCSC[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246588088 988144983 /nfs/dbraw/zinc/14/49/83/988144983.db2.gz IZSZBQFGOQSURB-SECBINFHSA-N 2 1 202.367 1.409 20 0 BDADMP CCSC[C@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246588089 988149716 /nfs/dbraw/zinc/14/97/16/988149716.db2.gz IZSZBQFGOQSURB-VIFPVBQESA-N 2 1 202.367 1.409 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H](C)[N@H+](C2CC[NH2+]CC2)C1 ZINC001246588927 988154710 /nfs/dbraw/zinc/15/47/10/988154710.db2.gz BJBMMNLZRNWFCH-GHMZBOCLSA-N 2 1 240.347 1.012 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593746 988184303 /nfs/dbraw/zinc/18/43/03/988184303.db2.gz NTHQSXJJANKBBB-MQYQWHSLSA-N 3 1 237.391 1.045 20 0 BDADMP COc1cccc(C[C@@H](C)[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001246600430 988209397 /nfs/dbraw/zinc/20/93/97/988209397.db2.gz SMULDLLGCHEOPH-GFCCVEGCSA-N 2 1 248.370 1.907 20 0 BDADMP CC(C)[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001495816825 988251585 /nfs/dbraw/zinc/25/15/85/988251585.db2.gz WFELWZWWZAHHBF-GFCCVEGCSA-N 2 1 243.395 1.077 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616244 988255650 /nfs/dbraw/zinc/25/56/50/988255650.db2.gz AKEKWACCMHHPTQ-HZSPNIEDSA-N 2 1 238.375 1.772 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619608 988264659 /nfs/dbraw/zinc/26/46/59/988264659.db2.gz SKWXPOJQZYXCIP-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628052 988288142 /nfs/dbraw/zinc/28/81/42/988288142.db2.gz LZAUMBYYKQTIII-FQUUOJAGSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H]1CC[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]1 ZINC001246628052 988288158 /nfs/dbraw/zinc/28/81/58/988288158.db2.gz LZAUMBYYKQTIII-FQUUOJAGSA-N 2 1 237.391 1.058 20 0 BDADMP CC1(C)C[C@H](N2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246629853 988301479 /nfs/dbraw/zinc/30/14/79/988301479.db2.gz QHEUZPWQCXEVAJ-LLVKDONJSA-N 2 1 243.370 1.280 20 0 BDADMP C1NCC12CCC[N@@H+]2[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246640506 988335278 /nfs/dbraw/zinc/33/52/78/988335278.db2.gz DTCQHACLEOGOMB-KGLIPLIRSA-N 2 1 249.402 1.347 20 0 BDADMP C1NCC12CCC[N@H+]2[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246640506 988335293 /nfs/dbraw/zinc/33/52/93/988335293.db2.gz DTCQHACLEOGOMB-KGLIPLIRSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639036 988341985 /nfs/dbraw/zinc/34/19/85/988341985.db2.gz MXVUVTOTOOKDLZ-STQMWFEESA-N 3 1 237.391 1.202 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639036 988341999 /nfs/dbraw/zinc/34/19/99/988341999.db2.gz MXVUVTOTOOKDLZ-STQMWFEESA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC001246645508 988364896 /nfs/dbraw/zinc/36/48/96/988364896.db2.gz BSJWYXHYNVWVKC-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3CCC[C@@H]3C1)CCN2 ZINC001246655837 988387200 /nfs/dbraw/zinc/38/72/00/988387200.db2.gz LQBYEQZQJNVWLN-MCIONIFRSA-N 2 1 249.402 1.202 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001246664621 988405961 /nfs/dbraw/zinc/40/59/61/988405961.db2.gz NFYLOTAFZNCYRE-BLYZHGLHSA-N 3 1 237.391 1.330 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2C[C@H]3CCC[C@@]3(N)C2)CC1 ZINC001246664621 988405967 /nfs/dbraw/zinc/40/59/67/988405967.db2.gz NFYLOTAFZNCYRE-BLYZHGLHSA-N 2 1 237.391 1.330 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H]3CCC[C@@]3(N)C2)CC1 ZINC001246664621 988405976 /nfs/dbraw/zinc/40/59/76/988405976.db2.gz NFYLOTAFZNCYRE-BLYZHGLHSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)C[NH2+]1 ZINC001246676566 988421659 /nfs/dbraw/zinc/42/16/59/988421659.db2.gz CHHJVLSZJPMFQU-WISYIIOYSA-N 2 1 222.332 1.323 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)C[NH2+]1 ZINC001246676566 988421661 /nfs/dbraw/zinc/42/16/61/988421661.db2.gz CHHJVLSZJPMFQU-WISYIIOYSA-N 2 1 222.332 1.323 20 0 BDADMP COC(=O)C1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246679640 988426328 /nfs/dbraw/zinc/42/63/28/988426328.db2.gz XKJIPIVUJXSURS-CMPLNLGQSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC[NH2+]1 ZINC001246679283 988426507 /nfs/dbraw/zinc/42/65/07/988426507.db2.gz TUGMSVWKWBOUSN-YFKTTZPYSA-N 2 1 222.332 1.323 20 0 BDADMP OCC[N@H+](Cc1cccs1)C1CC[NH2+]CC1 ZINC001246776232 988449286 /nfs/dbraw/zinc/44/92/86/988449286.db2.gz ILHMIYLFRPJXRQ-UHFFFAOYSA-N 2 1 240.372 1.294 20 0 BDADMP OCC[N@@H+](Cc1cccs1)C1CC[NH2+]CC1 ZINC001246776232 988449299 /nfs/dbraw/zinc/44/92/99/988449299.db2.gz ILHMIYLFRPJXRQ-UHFFFAOYSA-N 2 1 240.372 1.294 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246815272 988498619 /nfs/dbraw/zinc/49/86/19/988498619.db2.gz XADCKPSJFLOWMR-MNOVXSKESA-N 2 1 228.336 1.012 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](F)C2)CC[NH2+]1 ZINC001246822450 988511186 /nfs/dbraw/zinc/51/11/86/988511186.db2.gz ZTXFEWLAVMBTLS-DCAQKATOSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](F)C2)CC[NH2+]1 ZINC001246822450 988511198 /nfs/dbraw/zinc/51/11/98/988511198.db2.gz ZTXFEWLAVMBTLS-DCAQKATOSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCC[C@H](F)C2)CC[NH2+]1 ZINC001246822453 988512479 /nfs/dbraw/zinc/51/24/79/988512479.db2.gz ZTXFEWLAVMBTLS-GARJFASQSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@H](F)C2)CC[NH2+]1 ZINC001246822453 988512487 /nfs/dbraw/zinc/51/24/87/988512487.db2.gz ZTXFEWLAVMBTLS-GARJFASQSA-N 2 1 200.301 1.561 20 0 BDADMP COC(=O)CC[C@@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC001246836304 988538946 /nfs/dbraw/zinc/53/89/46/988538946.db2.gz WOMNCRWMLSHANH-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CC[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC001246836304 988538957 /nfs/dbraw/zinc/53/89/57/988538957.db2.gz WOMNCRWMLSHANH-VXGBXAGGSA-N 2 1 240.347 1.014 20 0 BDADMP C1C[C@]2(C[N@@H+]1[C@H]1CCC[NH2+]C1)CCCOC2 ZINC001246850690 988564153 /nfs/dbraw/zinc/56/41/53/988564153.db2.gz CWZRXNSIOAKOIE-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@]2(C[N@H+]1[C@H]1CCC[NH2+]C1)CCCOC2 ZINC001246850690 988564164 /nfs/dbraw/zinc/56/41/64/988564164.db2.gz CWZRXNSIOAKOIE-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP CSCC[C@H](C)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246851387 988568134 /nfs/dbraw/zinc/56/81/34/988568134.db2.gz FQNISXQEQLKEJB-AXFHLTTASA-N 2 1 214.378 1.551 20 0 BDADMP CC[N@@H+](C1CCC([NH2+]C)CC1)[C@H]1CCCNC1 ZINC001246855730 988583174 /nfs/dbraw/zinc/58/31/74/988583174.db2.gz WVNIPYUXAPCVTQ-RUXDESIVSA-N 2 1 239.407 1.591 20 0 BDADMP CCN(C1CCC([NH2+]C)CC1)[C@H]1CCC[NH2+]C1 ZINC001246855730 988583182 /nfs/dbraw/zinc/58/31/82/988583182.db2.gz WVNIPYUXAPCVTQ-RUXDESIVSA-N 2 1 239.407 1.591 20 0 BDADMP CCCCC[C@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858770 988587801 /nfs/dbraw/zinc/58/78/01/988587801.db2.gz HEAWHSJKSQPQMA-ICIURTGMSA-N 2 1 240.391 1.861 20 0 BDADMP C(OC[C@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1)C1CC1 ZINC001246858099 988593644 /nfs/dbraw/zinc/59/36/44/988593644.db2.gz BAMBXFBCYIVCGH-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C(OC[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)C1)C1CC1 ZINC001246858099 988593655 /nfs/dbraw/zinc/59/36/55/988593655.db2.gz BAMBXFBCYIVCGH-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246878310 988645731 /nfs/dbraw/zinc/64/57/31/988645731.db2.gz KKZJVXUZRTZEKF-RNJOBUHISA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCc3cc(N)ccc3C2)CC[NH2+]1 ZINC001246884385 988648101 /nfs/dbraw/zinc/64/81/01/988648101.db2.gz SRXDHCWAOWKCSZ-XHDPSFHLSA-N 2 1 245.370 1.767 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCc3cc(N)ccc3C2)CC[NH2+]1 ZINC001246884381 988649787 /nfs/dbraw/zinc/64/97/87/988649787.db2.gz SRXDHCWAOWKCSZ-IAQYHMDHSA-N 2 1 245.370 1.767 20 0 BDADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CCO)CC[NH2+]1 ZINC001246913198 988670211 /nfs/dbraw/zinc/67/02/11/988670211.db2.gz PSHPSJGMURAOLD-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP C[N@@H+](C1CC1)[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246906622 988679952 /nfs/dbraw/zinc/67/99/52/988679952.db2.gz COZPBKXBPPYZLO-ZDGFDOJISA-N 2 1 249.402 1.438 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C[NH3+])C1 ZINC001246913072 988693820 /nfs/dbraw/zinc/69/38/20/988693820.db2.gz JSXZIHJWAMCNJO-QJPTWQEYSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2C[NH3+])C1 ZINC001246913072 988693829 /nfs/dbraw/zinc/69/38/29/988693829.db2.gz JSXZIHJWAMCNJO-QJPTWQEYSA-N 2 1 240.347 1.141 20 0 BDADMP CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913755 988706697 /nfs/dbraw/zinc/70/66/97/988706697.db2.gz LQNYTQCOQLINHJ-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913755 988706708 /nfs/dbraw/zinc/70/67/08/988706708.db2.gz LQNYTQCOQLINHJ-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913756 988709031 /nfs/dbraw/zinc/70/90/31/988709031.db2.gz LQNYTQCOQLINHJ-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913756 988709042 /nfs/dbraw/zinc/70/90/42/988709042.db2.gz LQNYTQCOQLINHJ-VXGBXAGGSA-N 2 1 241.379 1.057 20 0 BDADMP CN1CCC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001246923063 988736539 /nfs/dbraw/zinc/73/65/39/988736539.db2.gz YVSUYSOBUKAAEK-DFKRWLTFSA-N 2 1 249.402 1.295 20 0 BDADMP C1C[C@H]2C[C@H]([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246933187 988764791 /nfs/dbraw/zinc/76/47/91/988764791.db2.gz QVSJPJCLHRVHQX-SBAKFKMJSA-N 3 1 249.402 1.201 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246939797 988768066 /nfs/dbraw/zinc/76/80/66/988768066.db2.gz HFASLDCLBDJPFG-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+](C)C1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246948888 988787697 /nfs/dbraw/zinc/78/76/97/988787697.db2.gz GKUNXDPYYHARLD-TZMCWYRMSA-N 2 1 239.407 1.543 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001246980030 988809318 /nfs/dbraw/zinc/80/93/18/988809318.db2.gz GZXJPBAPVOBVFZ-VHSXEESVSA-N 2 1 239.388 1.670 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001246980030 988809324 /nfs/dbraw/zinc/80/93/24/988809324.db2.gz GZXJPBAPVOBVFZ-VHSXEESVSA-N 2 1 239.388 1.670 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246980860 988812089 /nfs/dbraw/zinc/81/20/89/988812089.db2.gz LYHMVSDTIGIZBU-WDEREUQCSA-N 2 1 207.321 1.292 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+](C)C[C@H](C)[NH3+] ZINC001246980860 988812099 /nfs/dbraw/zinc/81/20/99/988812099.db2.gz LYHMVSDTIGIZBU-WDEREUQCSA-N 2 1 207.321 1.292 20 0 BDADMP CC(C)[N@@H+](C1CC[NH2+]CC1)C1CCOCC1 ZINC001246983739 988814752 /nfs/dbraw/zinc/81/47/52/988814752.db2.gz IISQQBDGJPLCAC-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2CF)CC[NH2+]1 ZINC001246990069 988819329 /nfs/dbraw/zinc/81/93/29/988819329.db2.gz UQMYQJHLUZKUFH-OUAUKWLOSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2CF)CC[NH2+]1 ZINC001246990069 988819332 /nfs/dbraw/zinc/81/93/32/988819332.db2.gz UQMYQJHLUZKUFH-OUAUKWLOSA-N 2 1 200.301 1.561 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997356 988833232 /nfs/dbraw/zinc/83/32/32/988833232.db2.gz UDPYIDZINOGPTG-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+]([C@@H]3CCCOCC3)C[C@H]2C1 ZINC001247015244 988839069 /nfs/dbraw/zinc/83/90/69/988839069.db2.gz NOVJIODRBLUMTQ-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@@H]3CCCOCC3)C[C@H]2C1 ZINC001247015244 988839073 /nfs/dbraw/zinc/83/90/73/988839073.db2.gz NOVJIODRBLUMTQ-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016399 988844905 /nfs/dbraw/zinc/84/49/05/988844905.db2.gz UUFLRNCFEQMMGF-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n(C2CC2)c1 ZINC001324659450 988912034 /nfs/dbraw/zinc/91/20/34/988912034.db2.gz BZJOZSAUFRBFLE-TXEJJXNPSA-N 2 1 231.343 1.474 20 0 BDADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n(C2CC2)c1 ZINC001324659450 988912052 /nfs/dbraw/zinc/91/20/52/988912052.db2.gz BZJOZSAUFRBFLE-TXEJJXNPSA-N 2 1 231.343 1.474 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC001325719218 989239227 /nfs/dbraw/zinc/23/92/27/989239227.db2.gz VWBFDMRNCKPYQQ-KGLIPLIRSA-N 3 1 241.423 1.825 20 0 BDADMP CCN1CCC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC001325719218 989239239 /nfs/dbraw/zinc/23/92/39/989239239.db2.gz VWBFDMRNCKPYQQ-KGLIPLIRSA-N 2 1 241.423 1.825 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC001325719632 989240385 /nfs/dbraw/zinc/24/03/85/989240385.db2.gz ZFWDMSOQNJWTDU-IUCAKERBSA-N 2 1 227.377 1.958 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001326074006 989366684 /nfs/dbraw/zinc/36/66/84/989366684.db2.gz CTOZRWFLWXRUKM-VIFPVBQESA-N 2 1 227.739 1.823 20 0 BDADMP CC(C)[NH2+][C@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC001120892370 989951931 /nfs/dbraw/zinc/95/19/31/989951931.db2.gz IAMMMLXXGJJVLA-JTQLQIEISA-N 2 1 235.335 1.026 20 0 BDADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H](C)CCC=C(C)C ZINC001258076956 990974634 /nfs/dbraw/zinc/97/46/34/990974634.db2.gz UHNWQVOAEVYCJM-RYUDHWBXSA-N 2 1 242.363 1.459 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC001308554361 991033279 /nfs/dbraw/zinc/03/32/79/991033279.db2.gz OTSQOAFHOQKMIY-SOUVJXGZSA-N 2 1 245.370 1.820 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCn3ccnc32)C1 ZINC001308810474 991149323 /nfs/dbraw/zinc/14/93/23/991149323.db2.gz GWPCAHVXKSUSPZ-OLZOCXBDSA-N 2 1 248.374 1.649 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001308969916 991244841 /nfs/dbraw/zinc/24/48/41/991244841.db2.gz YNXMOCRTBIBHEO-LLVKDONJSA-N 2 1 216.369 1.541 20 0 BDADMP CCC1(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)COC1 ZINC001202964012 991339792 /nfs/dbraw/zinc/33/97/92/991339792.db2.gz GQCIYKCOJWXWHS-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP CCC1(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)COC1 ZINC001202964012 991339799 /nfs/dbraw/zinc/33/97/99/991339799.db2.gz GQCIYKCOJWXWHS-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP CCC1(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)COC1 ZINC001202964012 991339807 /nfs/dbraw/zinc/33/98/07/991339807.db2.gz GQCIYKCOJWXWHS-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP CC[N@H+](C)C1CC[NH+](CC2(CC)COC2)CC1 ZINC001202965559 991348775 /nfs/dbraw/zinc/34/87/75/991348775.db2.gz IYBPZEHLFDZDJQ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CC2(CC)COC2)CC1 ZINC001202965559 991348785 /nfs/dbraw/zinc/34/87/85/991348785.db2.gz IYBPZEHLFDZDJQ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cccnn3)C2)CC1 ZINC001139973979 991446648 /nfs/dbraw/zinc/44/66/48/991446648.db2.gz PCHVTJDPMVXWMK-UHFFFAOYSA-N 2 1 232.331 1.004 20 0 BDADMP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001258611163 991533629 /nfs/dbraw/zinc/53/36/29/991533629.db2.gz FYMRKYYJFLMOEI-DZGCQCFKSA-N 2 1 247.386 1.944 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccnc2N)C1 ZINC001560933461 991660010 /nfs/dbraw/zinc/66/00/10/991660010.db2.gz PEBHBOFIVVFAKW-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccnc2N)C1 ZINC001560933461 991660013 /nfs/dbraw/zinc/66/00/13/991660013.db2.gz PEBHBOFIVVFAKW-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001258771966 991741485 /nfs/dbraw/zinc/74/14/85/991741485.db2.gz DHVDKEBHHJCCSB-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)CC(CC(C)C)[N@@H+](CCN)CCO ZINC001258831687 991863960 /nfs/dbraw/zinc/86/39/60/991863960.db2.gz IQKPWCPNJXICPF-UHFFFAOYSA-N 2 1 230.396 1.700 20 0 BDADMP CC(C)CC(CC(C)C)[N@@H+](CC[NH3+])CCO ZINC001258831687 991863969 /nfs/dbraw/zinc/86/39/69/991863969.db2.gz IQKPWCPNJXICPF-UHFFFAOYSA-N 2 1 230.396 1.700 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCN(C)C ZINC001258907374 991900425 /nfs/dbraw/zinc/90/04/25/991900425.db2.gz JWNJHADEKSOUNG-AWEZNQCLSA-N 2 1 243.439 1.990 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1CO ZINC001258910759 991901278 /nfs/dbraw/zinc/90/12/78/991901278.db2.gz UPKJGSPADMMTFQ-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001319751999 991962898 /nfs/dbraw/zinc/96/28/98/991962898.db2.gz QFMAKHOOUNFWMF-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CCC[C@H](CN[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001319751999 991962917 /nfs/dbraw/zinc/96/29/17/991962917.db2.gz QFMAKHOOUNFWMF-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CCC[C@H](CN[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001319751999 991962932 /nfs/dbraw/zinc/96/29/32/991962932.db2.gz QFMAKHOOUNFWMF-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC001319751999 991962952 /nfs/dbraw/zinc/96/29/52/991962952.db2.gz QFMAKHOOUNFWMF-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC001319751999 991962973 /nfs/dbraw/zinc/96/29/73/991962973.db2.gz QFMAKHOOUNFWMF-MJBXVCDLSA-N 2 1 239.407 1.258 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC001320576886 992249313 /nfs/dbraw/zinc/24/93/13/992249313.db2.gz LJFLLOWWFBPRGV-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001261515284 992361460 /nfs/dbraw/zinc/36/14/60/992361460.db2.gz BORFXDWHWWVHNN-IHRRRGAJSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc[nH]c(=O)c1 ZINC001321134113 992465585 /nfs/dbraw/zinc/46/55/85/992465585.db2.gz ZVXSNWBGFQCUIE-SNVBAGLBSA-N 2 1 246.314 1.414 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)[C@@H]1CC1(F)F ZINC001474757332 992529900 /nfs/dbraw/zinc/52/99/00/992529900.db2.gz UVXAZTYAPGTOLK-KZZRWZIVSA-N 2 1 244.329 1.960 20 0 BDADMP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C ZINC001573469117 992614592 /nfs/dbraw/zinc/61/45/92/992614592.db2.gz JIRCBKSPGATXLV-ZJUUUORDSA-N 2 1 214.353 1.517 20 0 BDADMP Cc1ncoc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC001262188306 992776987 /nfs/dbraw/zinc/77/69/87/992776987.db2.gz MTWQAJOKFTXJBG-UHFFFAOYSA-N 2 1 221.304 1.335 20 0 BDADMP Cc1ncoc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC001262188306 992777006 /nfs/dbraw/zinc/77/70/06/992777006.db2.gz MTWQAJOKFTXJBG-UHFFFAOYSA-N 2 1 221.304 1.335 20 0 BDADMP [NH3+]CC[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001574280409 992838072 /nfs/dbraw/zinc/83/80/72/992838072.db2.gz UGQHKKAPWGLJNF-UHFFFAOYSA-N 2 1 227.311 1.797 20 0 BDADMP c1ccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCC2)nc1 ZINC001574440214 992860722 /nfs/dbraw/zinc/86/07/22/992860722.db2.gz PEWJTQIEWFDRQO-ZDUSSCGKSA-N 2 1 245.370 1.845 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2OC)C1 ZINC001262483773 992890722 /nfs/dbraw/zinc/89/07/22/992890722.db2.gz NDZFEMTXZNKJRJ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C1C[C@H]2C[C@@H](N[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@H+]2C1 ZINC001574794684 992912128 /nfs/dbraw/zinc/91/21/28/992912128.db2.gz HRZQXTNTZMTROF-QMVSFRDZSA-N 2 1 235.375 1.096 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC001574816463 992913539 /nfs/dbraw/zinc/91/35/39/992913539.db2.gz FRDMQEYHBJSOBN-KXNHARMFSA-N 2 1 206.333 1.659 20 0 BDADMP CC(C)(C[NH3+])C[N@H+]1CCOCC2(CCCC2)C1 ZINC001575314880 993003171 /nfs/dbraw/zinc/00/31/71/993003171.db2.gz ARTOONVFNAIZLF-UHFFFAOYSA-N 2 1 240.391 1.864 20 0 BDADMP CC(C)(CCO)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575305380 993008235 /nfs/dbraw/zinc/00/82/35/993008235.db2.gz UCXJUMYDRXTSLX-QMMMGPOBSA-N 2 1 242.285 1.264 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575317521 993011101 /nfs/dbraw/zinc/01/11/01/993011101.db2.gz FRSORHVFOUHDHA-KKJSVHSVSA-N 2 1 224.348 1.127 20 0 BDADMP CC(C)(C[NH3+])CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001575314962 993011786 /nfs/dbraw/zinc/01/17/86/993011786.db2.gz FWVAWGZTGSZBHS-NSHDSACASA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)C[C@H](O)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575548880 993069459 /nfs/dbraw/zinc/06/94/59/993069459.db2.gz CIMFNGZRUPGAAA-BDAKNGLRSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)CC[NH3+])CC1 ZINC001575574974 993075756 /nfs/dbraw/zinc/07/57/56/993075756.db2.gz SQDUFRXOVWGVKW-ZDUSSCGKSA-N 3 1 241.423 1.824 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC001575618297 993085792 /nfs/dbraw/zinc/08/57/92/993085792.db2.gz DGPNVFMHJGSFLE-UONOGXRCSA-N 2 1 241.423 1.552 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575689576 993095300 /nfs/dbraw/zinc/09/53/00/993095300.db2.gz RLJPEBRGQHUCPZ-GMKTYKIGSA-N 3 1 225.380 1.185 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575689576 993095308 /nfs/dbraw/zinc/09/53/08/993095308.db2.gz RLJPEBRGQHUCPZ-GMKTYKIGSA-N 3 1 225.380 1.185 20 0 BDADMP CC(C)OC1CC([NH2+][C@H]2CC[NH2+][C@@H]2C)C1 ZINC001575750880 993104243 /nfs/dbraw/zinc/10/42/43/993104243.db2.gz NYKFQNYAJOYEGN-YYJSSNLHSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@H](CNC[C@H]([NH3+])CC(F)F)[N@@H+](C)C1CC1 ZINC001576032350 993154757 /nfs/dbraw/zinc/15/47/57/993154757.db2.gz CHZQFMOGLKKPPG-RKDXNWHRSA-N 2 1 235.322 1.041 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001576053026 993167431 /nfs/dbraw/zinc/16/74/31/993167431.db2.gz RNFNYNIDUDJVOX-GYSYKLTISA-N 2 1 234.343 1.663 20 0 BDADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CC1([NH3+])CC1 ZINC001576053012 993168360 /nfs/dbraw/zinc/16/83/60/993168360.db2.gz RASNXAUUWNAXOJ-JTQLQIEISA-N 2 1 222.307 1.838 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC001576152924 993189448 /nfs/dbraw/zinc/18/94/48/993189448.db2.gz MJDYEEXYPHDPTD-NXEZZACHSA-N 2 1 222.336 1.433 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001576155710 993195197 /nfs/dbraw/zinc/19/51/97/993195197.db2.gz BOVWXTWFTJUBIG-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001576155710 993195201 /nfs/dbraw/zinc/19/52/01/993195201.db2.gz BOVWXTWFTJUBIG-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@H]([NH3+])CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001576157605 993198780 /nfs/dbraw/zinc/19/87/80/993198780.db2.gz STDBABVNACXQQY-MCIONIFRSA-N 2 1 237.391 1.141 20 0 BDADMP C[C@H]([NH3+])CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001576157606 993199363 /nfs/dbraw/zinc/19/93/63/993199363.db2.gz STDBABVNACXQQY-MELADBBJSA-N 2 1 237.391 1.141 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000378664966 993199776 /nfs/dbraw/zinc/19/97/76/993199776.db2.gz FMVPUGNEEJQLPQ-FRRDWIJNSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cn(C)nn2)cc1 ZINC001576168305 993201028 /nfs/dbraw/zinc/20/10/28/993201028.db2.gz JPECEHZSEYYHET-JTQLQIEISA-N 2 1 245.330 1.125 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](CCOc2ccccc2)CC1 ZINC000378794085 993205260 /nfs/dbraw/zinc/20/52/60/993205260.db2.gz PJMCZFXTGXTNPA-ZDUSSCGKSA-N 2 1 234.343 1.879 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(C)C[NH2+]CCO1)C1CCC1 ZINC001576246185 993217476 /nfs/dbraw/zinc/21/74/76/993217476.db2.gz UONMSVJRCXDPSR-ZYHUDNBSSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H](O)C(C)(C)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001576267212 993241047 /nfs/dbraw/zinc/24/10/47/993241047.db2.gz WKDQTQXAVJPYFF-YUMQZZPRSA-N 2 1 242.285 1.263 20 0 BDADMP CC1(C)C[N@@H+](CC2CCSCC2)C[C@@H]1N ZINC001576457620 993310925 /nfs/dbraw/zinc/31/09/25/993310925.db2.gz KCDBMDXYUJUZMV-NSHDSACASA-N 2 1 228.405 1.799 20 0 BDADMP CC1(C)C[N@@H+](CC2CCSCC2)C[C@@H]1[NH3+] ZINC001576457620 993310945 /nfs/dbraw/zinc/31/09/45/993310945.db2.gz KCDBMDXYUJUZMV-NSHDSACASA-N 2 1 228.405 1.799 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CCCCO1 ZINC001576502959 993326429 /nfs/dbraw/zinc/32/64/29/993326429.db2.gz JMIVDHGUFHEDGQ-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1C(=O)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001576564974 993343754 /nfs/dbraw/zinc/34/37/54/993343754.db2.gz RUTXEUWZTDOMKD-SNVBAGLBSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1C(=O)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001576564974 993343758 /nfs/dbraw/zinc/34/37/58/993343758.db2.gz RUTXEUWZTDOMKD-SNVBAGLBSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573615 993349781 /nfs/dbraw/zinc/34/97/81/993349781.db2.gz SRJRBWFCJSGPEC-MROQNXINSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC001576597768 993361147 /nfs/dbraw/zinc/36/11/47/993361147.db2.gz HPFGURLSZPAHCI-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC001576597768 993361152 /nfs/dbraw/zinc/36/11/52/993361152.db2.gz HPFGURLSZPAHCI-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1cn[nH]c1 ZINC000381006133 993361385 /nfs/dbraw/zinc/36/13/85/993361385.db2.gz QMIZTVSJZLHDBJ-GFCCVEGCSA-N 2 1 222.336 1.156 20 0 BDADMP CC1CC(C[N@@H+]2CCO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001576597752 993361387 /nfs/dbraw/zinc/36/13/87/993361387.db2.gz HGZAOXOHFPCGOA-WXRRBKDZSA-N 2 1 224.348 1.097 20 0 BDADMP CC1CC(C[N@H+]2CCO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001576597752 993361391 /nfs/dbraw/zinc/36/13/91/993361391.db2.gz HGZAOXOHFPCGOA-WXRRBKDZSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@@H](O)C2)CC[NH2+]1 ZINC001576598589 993363839 /nfs/dbraw/zinc/36/38/39/993363839.db2.gz MTKBFSSVMPKPAS-LOWDOPEQSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC001576608284 993366432 /nfs/dbraw/zinc/36/64/32/993366432.db2.gz PPCULUFFIOUDBN-GXSJLCMTSA-N 2 1 221.304 1.099 20 0 BDADMP C[C@@H]1C[C@@H](N[C@]23CCC[C@H]2[NH2+]CC3)CC[N@H+]1C ZINC001576622185 993373498 /nfs/dbraw/zinc/37/34/98/993373498.db2.gz AVFAORAMTVDTIH-RQJABVFESA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1CCC(=O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC001576636222 993377115 /nfs/dbraw/zinc/37/71/15/993377115.db2.gz HQXVQCYUZZKGPL-SNVBAGLBSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1CCC(=O)C[N@H+]1CC1CC[NH2+]CC1 ZINC001576636222 993377119 /nfs/dbraw/zinc/37/71/19/993377119.db2.gz HQXVQCYUZZKGPL-SNVBAGLBSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C[NH2+]1 ZINC001576665878 993386485 /nfs/dbraw/zinc/38/64/85/993386485.db2.gz HUBWMKWISOSCRF-MBJXGIAVSA-N 2 1 237.391 1.057 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C1CC1 ZINC000381312216 993386636 /nfs/dbraw/zinc/38/66/36/993386636.db2.gz LVVLQZIAFGXVNQ-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]CC1=NOCC1 ZINC001576690580 993395155 /nfs/dbraw/zinc/39/51/55/993395155.db2.gz KZGIUEBITUAXOG-PWSUYJOCSA-N 2 1 225.336 1.260 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC001576729151 993405075 /nfs/dbraw/zinc/40/50/75/993405075.db2.gz DUTDNXJLDQDUFZ-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1C[N@H+](CCC2CC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576800787 993426458 /nfs/dbraw/zinc/42/64/58/993426458.db2.gz MABBRWPSCHLNSL-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576800787 993426461 /nfs/dbraw/zinc/42/64/61/993426461.db2.gz MABBRWPSCHLNSL-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@H+](CC2CCC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576801009 993429445 /nfs/dbraw/zinc/42/94/45/993429445.db2.gz OVTKAFRKYDFUBJ-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576801009 993429450 /nfs/dbraw/zinc/42/94/50/993429450.db2.gz OVTKAFRKYDFUBJ-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCC2CSC2)C1 ZINC001576850579 993433119 /nfs/dbraw/zinc/43/31/19/993433119.db2.gz UIUIURXMNSLLDP-GXSJLCMTSA-N 2 1 214.378 1.327 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000382201832 993441923 /nfs/dbraw/zinc/44/19/23/993441923.db2.gz FIHFJJKWHKBEQY-NWDGAFQWSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC001576903603 993451031 /nfs/dbraw/zinc/45/10/31/993451031.db2.gz MDZANGCCWDUFGJ-ROHXPCBUSA-N 2 1 212.337 1.140 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001576966428 993468754 /nfs/dbraw/zinc/46/87/54/993468754.db2.gz IGWARFMTKWBBHM-WHOHXGKFSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001576966428 993468760 /nfs/dbraw/zinc/46/87/60/993468760.db2.gz IGWARFMTKWBBHM-WHOHXGKFSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)OC ZINC001576970373 993474736 /nfs/dbraw/zinc/47/47/36/993474736.db2.gz IPDHRPMBFQSQOF-XDQVBPFNSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@H](CCO)C[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577077816 993496536 /nfs/dbraw/zinc/49/65/36/993496536.db2.gz XDERMBDTTMBICN-RKDXNWHRSA-N 2 1 242.285 1.264 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001577182616 993535660 /nfs/dbraw/zinc/53/56/60/993535660.db2.gz QGWOPYODMRKVCZ-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP CC[NH+](CC)C1CC[NH+](CCCO)CC1 ZINC000384318753 993569390 /nfs/dbraw/zinc/56/93/90/993569390.db2.gz UGMYKZKVQWGVNI-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@H]1[NH3+] ZINC001577279781 993574435 /nfs/dbraw/zinc/57/44/35/993574435.db2.gz PYLQONCPZVKXFC-VXGBXAGGSA-N 2 1 235.331 1.346 20 0 BDADMP CC[C@H]1C[N@@H+](CC)CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577280095 993575616 /nfs/dbraw/zinc/57/56/16/993575616.db2.gz XLAZKSMKCORCGZ-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP CC[C@H]1CN(C)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577279464 993580601 /nfs/dbraw/zinc/58/06/01/993580601.db2.gz HTJZLZASBATZRR-XQQFMLRXSA-N 2 1 225.380 1.140 20 0 BDADMP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC001577387951 993636928 /nfs/dbraw/zinc/63/69/28/993636928.db2.gz CNOHTNBKUHXDFD-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH2+]C ZINC001577445415 993665052 /nfs/dbraw/zinc/66/50/52/993665052.db2.gz RRIITTALJGQOLB-NEPJUHHUSA-N 2 1 243.395 1.221 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@@](C)(O)C[NH2+]C ZINC001577504505 993675122 /nfs/dbraw/zinc/67/51/22/993675122.db2.gz SXZLDFNPYZKPGX-LBPRGKRZSA-N 2 1 216.369 1.325 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CCC[NH2+]C ZINC001577510348 993676412 /nfs/dbraw/zinc/67/64/12/993676412.db2.gz LBBIHBQRCXTMPF-LBPRGKRZSA-N 2 1 243.395 1.223 20 0 BDADMP CCC[NH2+][C@@H](C)C(=O)NCc1[nH]c(C)[nH+]c1C ZINC001577555060 993688589 /nfs/dbraw/zinc/68/85/89/993688589.db2.gz RUPNBZDRHWDHJF-VIFPVBQESA-N 2 1 238.335 1.031 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC23CCOCC3)CC1 ZINC000387074529 993699729 /nfs/dbraw/zinc/69/97/29/993699729.db2.gz XQYARWSCRAWIKZ-LBPRGKRZSA-N 2 1 224.348 1.239 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC001577655152 993704207 /nfs/dbraw/zinc/70/42/07/993704207.db2.gz SXMYMLBZYKJMJG-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP COCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000389303497 993742287 /nfs/dbraw/zinc/74/22/87/993742287.db2.gz MWMBSYLONPAIIP-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP CC[N@H+]1CC[C@H](n2cncc2C2CC[NH2+]CC2)C1 ZINC000389667415 993758701 /nfs/dbraw/zinc/75/87/01/993758701.db2.gz UHQJQFIIPRBSCD-ZDUSSCGKSA-N 3 1 248.374 1.617 20 0 BDADMP FC1(F)CCC([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000390079777 993775853 /nfs/dbraw/zinc/77/58/53/993775853.db2.gz YJGDCKCEKLVBKB-UHFFFAOYSA-N 2 1 218.291 1.860 20 0 BDADMP FC1(F)CCC([N@H+]2CCC[NH2+]CC2)CC1 ZINC000390079777 993775862 /nfs/dbraw/zinc/77/58/62/993775862.db2.gz YJGDCKCEKLVBKB-UHFFFAOYSA-N 2 1 218.291 1.860 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C2CCC(F)(F)CC2)C1 ZINC000390269899 993784420 /nfs/dbraw/zinc/78/44/20/993784420.db2.gz JKDRDSKWBIMNQS-VIFPVBQESA-N 2 1 218.291 1.987 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C2CCC(F)(F)CC2)C1 ZINC000390269899 993784429 /nfs/dbraw/zinc/78/44/29/993784429.db2.gz JKDRDSKWBIMNQS-VIFPVBQESA-N 2 1 218.291 1.987 20 0 BDADMP Cn1cccc1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000390568360 993796086 /nfs/dbraw/zinc/79/60/86/993796086.db2.gz UJUUFAQRYZYJII-LBPRGKRZSA-N 2 1 221.348 1.599 20 0 BDADMP CCCO[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000701726430 993907814 /nfs/dbraw/zinc/90/78/14/993907814.db2.gz LQGGMLKGYAXNKJ-QNMSZWNNSA-N 2 1 238.375 1.770 20 0 BDADMP OC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000393520187 993959973 /nfs/dbraw/zinc/95/99/73/993959973.db2.gz NXMPYXCLVFBYBC-CYBMUJFWSA-N 2 1 226.364 1.080 20 0 BDADMP C[C@H](C[NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394162644 994046164 /nfs/dbraw/zinc/04/61/64/994046164.db2.gz MANUGRIDDQCYCI-FKJOKYEKSA-N 3 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000724414091 994065262 /nfs/dbraw/zinc/06/52/62/994065262.db2.gz JXABGDJTPCDKSJ-MPPDQPJWSA-N 2 1 226.364 1.469 20 0 BDADMP C[C@@H]1CC(C[N@@H+]2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000724376625 994066429 /nfs/dbraw/zinc/06/64/29/994066429.db2.gz SIJRCKWWYQRYOQ-CKYFFXLPSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1CC(C[N@H+]2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000724376625 994066437 /nfs/dbraw/zinc/06/64/37/994066437.db2.gz SIJRCKWWYQRYOQ-CKYFFXLPSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000724810318 994081904 /nfs/dbraw/zinc/08/19/04/994081904.db2.gz YCQOOSVFYYBZFX-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000724810318 994081889 /nfs/dbraw/zinc/08/18/89/994081889.db2.gz YCQOOSVFYYBZFX-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C(C)C)[NH+](C)C ZINC001282462267 994237153 /nfs/dbraw/zinc/23/71/53/994237153.db2.gz TWHRGGUKBUPQQD-RYUDHWBXSA-N 2 1 243.395 1.172 20 0 BDADMP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001335460938 994778448 /nfs/dbraw/zinc/77/84/48/994778448.db2.gz SIRFUMBTYUTCJC-ZIAGYGMSSA-N 2 1 240.391 1.469 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CC[NH2+]C2)CCCO1 ZINC000389863041 398143213 /nfs/dbraw/zinc/14/32/13/398143213.db2.gz FMSRPPRUDUTAGS-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000257658367 349470331 /nfs/dbraw/zinc/47/03/31/349470331.db2.gz RSFLPMGJTNTHNM-MNOVXSKESA-N 2 1 220.320 1.633 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000257658370 349470388 /nfs/dbraw/zinc/47/03/88/349470388.db2.gz RSFLPMGJTNTHNM-WDEREUQCSA-N 2 1 220.320 1.633 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCOC1 ZINC000161714433 349489739 /nfs/dbraw/zinc/48/97/39/349489739.db2.gz MLIZWTGFISTMDI-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCOC1 ZINC000161714433 349489742 /nfs/dbraw/zinc/48/97/42/349489742.db2.gz MLIZWTGFISTMDI-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)CCO ZINC000649870471 398158151 /nfs/dbraw/zinc/15/81/51/398158151.db2.gz AGYVTPOOUDXAEH-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000385507353 398168233 /nfs/dbraw/zinc/16/82/33/398168233.db2.gz RARWJQRSYNZNHR-KWCYVHTRSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000385507353 398168238 /nfs/dbraw/zinc/16/82/38/398168238.db2.gz RARWJQRSYNZNHR-KWCYVHTRSA-N 2 1 240.391 1.466 20 0 BDADMP COC1(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000379838835 398173741 /nfs/dbraw/zinc/17/37/41/398173741.db2.gz FXIMTBPKXJMTFF-TXEJJXNPSA-N 2 1 224.348 1.097 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423020283 398161935 /nfs/dbraw/zinc/16/19/35/398161935.db2.gz ZSGXJDIITXAIEN-JTNHKYCSSA-N 2 1 249.358 1.960 20 0 BDADMP Cc1cc(N[C@H]2CCC[N@@H+](C)[C@H]2C)cc[nH+]1 ZINC000336745729 398186065 /nfs/dbraw/zinc/18/60/65/398186065.db2.gz QWEVWPKSGOUKLH-AAEUAGOBSA-N 2 1 219.332 1.707 20 0 BDADMP CCC[C@H](C)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169121374 488171064 /nfs/dbraw/zinc/17/10/64/488171064.db2.gz NQOJJOWFZAHZOL-TUAOUCFPSA-N 2 1 214.353 1.471 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169121374 488171070 /nfs/dbraw/zinc/17/10/70/488171070.db2.gz NQOJJOWFZAHZOL-TUAOUCFPSA-N 2 1 214.353 1.471 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000069723947 398214117 /nfs/dbraw/zinc/21/41/17/398214117.db2.gz BKWLRIQURNHCRH-STQMWFEESA-N 2 1 226.364 1.474 20 0 BDADMP C[C@@H]([NH2+]CC(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000386626217 398214333 /nfs/dbraw/zinc/21/43/33/398214333.db2.gz ZBDMYHPOXFSAOJ-GHMZBOCLSA-N 2 1 214.353 1.125 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000649413764 398212022 /nfs/dbraw/zinc/21/20/22/398212022.db2.gz CIFQNMYLGDLRMB-IHRRRGAJSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1cc(NC[C@@H]2CCC[NH2+]2)nc(C)[nH+]1 ZINC000053255071 178166395 /nfs/dbraw/zinc/16/63/95/178166395.db2.gz ICFZQMWWQLUBFS-JTQLQIEISA-N 2 1 206.293 1.257 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000386809863 398220249 /nfs/dbraw/zinc/22/02/49/398220249.db2.gz RPIGLNPZVMFZJJ-GWCFXTLKSA-N 2 1 236.363 1.169 20 0 BDADMP Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000044503071 178170324 /nfs/dbraw/zinc/17/03/24/178170324.db2.gz VFFMAQUSQBHZEE-NSHDSACASA-N 2 1 220.320 1.505 20 0 BDADMP Cc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc[nH+]1 ZINC000274778270 178186333 /nfs/dbraw/zinc/18/63/33/178186333.db2.gz CWFHDCPPAQNUMO-OLZOCXBDSA-N 2 1 249.358 1.911 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](OC(F)F)C1 ZINC000558864419 398229290 /nfs/dbraw/zinc/22/92/90/398229290.db2.gz SPIZKBWHENGKKB-QWRGUYRKSA-N 2 1 248.317 1.784 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](OC(F)F)C1 ZINC000558864419 398229294 /nfs/dbraw/zinc/22/92/94/398229294.db2.gz SPIZKBWHENGKKB-QWRGUYRKSA-N 2 1 248.317 1.784 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864419 398229296 /nfs/dbraw/zinc/22/92/96/398229296.db2.gz SPIZKBWHENGKKB-QWRGUYRKSA-N 2 1 248.317 1.784 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558864419 398229298 /nfs/dbraw/zinc/22/92/98/398229298.db2.gz SPIZKBWHENGKKB-QWRGUYRKSA-N 2 1 248.317 1.784 20 0 BDADMP CCC(CC)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000336687626 168352663 /nfs/dbraw/zinc/35/26/63/168352663.db2.gz FPKAYKOOYAIRKJ-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP COCCCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430557200 398228327 /nfs/dbraw/zinc/22/83/27/398228327.db2.gz SBOGVXAWMLFLSY-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CCOCC[NH+](C)C)no1 ZINC000353596320 178248709 /nfs/dbraw/zinc/24/87/09/178248709.db2.gz NAVHBUKREVEKMX-NSHDSACASA-N 2 1 241.335 1.212 20 0 BDADMP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336714013 398241381 /nfs/dbraw/zinc/24/13/81/398241381.db2.gz OYKCKJABOOXYAL-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)C[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000336714013 398241382 /nfs/dbraw/zinc/24/13/82/398241382.db2.gz OYKCKJABOOXYAL-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000336714013 398241384 /nfs/dbraw/zinc/24/13/84/398241384.db2.gz OYKCKJABOOXYAL-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000336714013 398241386 /nfs/dbraw/zinc/24/13/86/398241386.db2.gz OYKCKJABOOXYAL-AWEZNQCLSA-N 2 1 240.391 1.562 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000576478933 365608046 /nfs/dbraw/zinc/60/80/46/365608046.db2.gz HRRNOARGODNPGL-GRYCIOLGSA-N 2 1 234.347 1.647 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCC2)[C@H](C)C1 ZINC000162221872 349593781 /nfs/dbraw/zinc/59/37/81/349593781.db2.gz FXFPQRNEHWDHOD-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccncc1F ZINC000449092819 398275638 /nfs/dbraw/zinc/27/56/38/398275638.db2.gz USDYUJHJSKASSI-UHFFFAOYSA-N 2 1 248.305 1.906 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC)CCO ZINC000167033750 361860663 /nfs/dbraw/zinc/86/06/63/361860663.db2.gz NUNCLXBKCASORQ-UHFFFAOYSA-N 2 1 202.342 1.033 20 0 BDADMP CCSCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309618292 342753318 /nfs/dbraw/zinc/75/33/18/342753318.db2.gz FYXQBSMZAVUNSD-GFCCVEGCSA-N 2 1 228.405 1.815 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000335609802 136236811 /nfs/dbraw/zinc/23/68/11/136236811.db2.gz IGMWHTDZABWIDP-SCZZXKLOSA-N 2 1 218.291 1.619 20 0 BDADMP CC(C)[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671738 538972428 /nfs/dbraw/zinc/97/24/28/538972428.db2.gz AEAJNPVYSVIWHT-CQSZACIVSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040671738 538972429 /nfs/dbraw/zinc/97/24/29/538972429.db2.gz AEAJNPVYSVIWHT-CQSZACIVSA-N 2 1 239.407 1.543 20 0 BDADMP Cc1nc(C)c(C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000382403179 361928594 /nfs/dbraw/zinc/92/85/94/361928594.db2.gz WTMJFYCLOSZOET-UHFFFAOYSA-N 2 1 234.303 1.586 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000381759660 539007183 /nfs/dbraw/zinc/00/71/83/539007183.db2.gz TULMXPDUFWDLFW-VXGBXAGGSA-N 2 1 224.348 1.382 20 0 BDADMP CSCC1CCC([NH2+][C@H](C)C[NH3+])CC1 ZINC000385787472 342853220 /nfs/dbraw/zinc/85/32/20/342853220.db2.gz DIRVQOOCRQUGTC-KPPDAEKUSA-N 2 1 216.394 1.845 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000389206764 398306438 /nfs/dbraw/zinc/30/64/38/398306438.db2.gz ZWWHCZLTSGVBCP-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000389206764 398306439 /nfs/dbraw/zinc/30/64/39/398306439.db2.gz ZWWHCZLTSGVBCP-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000389206764 398306442 /nfs/dbraw/zinc/30/64/42/398306442.db2.gz ZWWHCZLTSGVBCP-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000389206764 398306444 /nfs/dbraw/zinc/30/64/44/398306444.db2.gz ZWWHCZLTSGVBCP-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000389206764 398306446 /nfs/dbraw/zinc/30/64/46/398306446.db2.gz ZWWHCZLTSGVBCP-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248169668 323016257 /nfs/dbraw/zinc/01/62/57/323016257.db2.gz UNGKBHREGIHFAV-ZDEQEGDKSA-N 2 1 228.380 1.466 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000625166754 342899044 /nfs/dbraw/zinc/89/90/44/342899044.db2.gz LHXUCVRXDONLTH-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000336478590 398319652 /nfs/dbraw/zinc/31/96/52/398319652.db2.gz UAHBIARNEINHPW-BXKDBHETSA-N 2 1 236.363 1.586 20 0 BDADMP C[C@H]([NH2+]CCc1cccnc1)[C@H]1CCCC[NH2+]1 ZINC000386543186 342911961 /nfs/dbraw/zinc/91/19/61/342911961.db2.gz DWAXDCUBWLUENN-GXTWGEPZSA-N 2 1 233.359 1.744 20 0 BDADMP CC[C@H](C)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562382975 323018658 /nfs/dbraw/zinc/01/86/58/323018658.db2.gz CYCSXQLCRSHQJR-NSHDSACASA-N 2 1 222.336 1.578 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCOC1 ZINC000119658486 398327930 /nfs/dbraw/zinc/32/79/30/398327930.db2.gz BDNVCJQHOBEWSC-VXGBXAGGSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000165006303 529441637 /nfs/dbraw/zinc/44/16/37/529441637.db2.gz ZRTDNMVXVYCKCF-LBPRGKRZSA-N 2 1 241.379 1.104 20 0 BDADMP Cc1cnn(C)c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352793356 398336754 /nfs/dbraw/zinc/33/67/54/398336754.db2.gz ORBLSAZCFSQZOG-LBPRGKRZSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352793356 398336755 /nfs/dbraw/zinc/33/67/55/398336755.db2.gz ORBLSAZCFSQZOG-LBPRGKRZSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352793356 398336756 /nfs/dbraw/zinc/33/67/56/398336756.db2.gz ORBLSAZCFSQZOG-LBPRGKRZSA-N 2 1 248.374 1.302 20 0 BDADMP CCC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000310072918 398332223 /nfs/dbraw/zinc/33/22/23/398332223.db2.gz ABWYEFQFCQSRTH-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CCC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000310072918 398332224 /nfs/dbraw/zinc/33/22/24/398332224.db2.gz ABWYEFQFCQSRTH-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917808 398335242 /nfs/dbraw/zinc/33/52/42/398335242.db2.gz XPNLBAOBDMKBDB-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000602718325 349686832 /nfs/dbraw/zinc/68/68/32/349686832.db2.gz VPZIVCVTHGFNGK-DDHJBXDOSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000602718325 349686834 /nfs/dbraw/zinc/68/68/34/349686834.db2.gz VPZIVCVTHGFNGK-DDHJBXDOSA-N 2 1 240.347 1.010 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223289108 259333644 /nfs/dbraw/zinc/33/36/44/259333644.db2.gz MRINAFGAROUDOV-SRVKXCTJSA-N 2 1 214.353 1.220 20 0 BDADMP C[N@H+](C/C=C\c1ccccc1)CCC[NH3+] ZINC000308673762 346896749 /nfs/dbraw/zinc/89/67/49/346896749.db2.gz DTCJXRBRQYZPIJ-UITAMQMPSA-N 2 1 204.317 1.980 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000336681132 346903639 /nfs/dbraw/zinc/90/36/39/346903639.db2.gz BJQIVNXWQXSISX-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP CCc1cc(NCCC[NH+]2CCOCC2)cc[nH+]1 ZINC000307777277 529555328 /nfs/dbraw/zinc/55/53/28/529555328.db2.gz VSNWKKUVVQAXJB-UHFFFAOYSA-N 2 1 249.358 1.778 20 0 BDADMP CCN(C#N)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000602794507 349736937 /nfs/dbraw/zinc/73/69/37/349736937.db2.gz CQJDBWYRIPCRDF-UHFFFAOYSA-N 2 1 249.362 1.316 20 0 BDADMP CCN(C#N)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000602794507 349736942 /nfs/dbraw/zinc/73/69/42/349736942.db2.gz CQJDBWYRIPCRDF-UHFFFAOYSA-N 2 1 249.362 1.316 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1C(C)(C)O ZINC000162589633 349760170 /nfs/dbraw/zinc/76/01/70/349760170.db2.gz LZWPCFPQKRSIJL-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000162589633 349760173 /nfs/dbraw/zinc/76/01/73/349760173.db2.gz LZWPCFPQKRSIJL-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000162589633 349760175 /nfs/dbraw/zinc/76/01/75/349760175.db2.gz LZWPCFPQKRSIJL-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC1CC1 ZINC000162616002 349769467 /nfs/dbraw/zinc/76/94/67/349769467.db2.gz ZBAXYWYAIOBHOE-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cnn1C ZINC000576823414 365694341 /nfs/dbraw/zinc/69/43/41/365694341.db2.gz RAZWEJXNZROOPX-SFYZADRCSA-N 2 1 230.743 1.289 20 0 BDADMP Cc1cc(CNC[C@@H]2CC[N@H+](C3CC3)C2)on1 ZINC000383413772 362023818 /nfs/dbraw/zinc/02/38/18/362023818.db2.gz VOSGYRKEYWVWTB-NSHDSACASA-N 2 1 235.331 1.557 20 0 BDADMP CSC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000576863783 365707539 /nfs/dbraw/zinc/70/75/39/365707539.db2.gz MJXTZSHDIRWLGR-NWDGAFQWSA-N 2 1 246.420 1.032 20 0 BDADMP CC[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000308856802 346926112 /nfs/dbraw/zinc/92/61/12/346926112.db2.gz OHISJNYYCFTHKW-VXGBXAGGSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000308856802 346926113 /nfs/dbraw/zinc/92/61/13/346926113.db2.gz OHISJNYYCFTHKW-VXGBXAGGSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000308856802 346926115 /nfs/dbraw/zinc/92/61/15/346926115.db2.gz OHISJNYYCFTHKW-VXGBXAGGSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000308856802 346926118 /nfs/dbraw/zinc/92/61/18/346926118.db2.gz OHISJNYYCFTHKW-VXGBXAGGSA-N 2 1 216.369 1.277 20 0 BDADMP FC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000308876293 346929275 /nfs/dbraw/zinc/92/92/75/346929275.db2.gz NLDSNOOUXARUPW-SNVBAGLBSA-N 2 1 212.312 1.562 20 0 BDADMP C[N@@H+](CCCn1ccnc1)CC1CC[NH2+]CC1 ZINC000094024377 343152533 /nfs/dbraw/zinc/15/25/33/343152533.db2.gz LEPMDCHFZDZIPE-UHFFFAOYSA-N 2 1 236.363 1.205 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126712982 343171236 /nfs/dbraw/zinc/17/12/36/343171236.db2.gz JWSPZLUWFLHFSD-VWYCJHECSA-N 2 1 220.320 1.207 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126712982 343171237 /nfs/dbraw/zinc/17/12/37/343171237.db2.gz JWSPZLUWFLHFSD-VWYCJHECSA-N 2 1 220.320 1.207 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000401756892 343218161 /nfs/dbraw/zinc/21/81/61/343218161.db2.gz FJYNNWNIZFUFQQ-LBPRGKRZSA-N 2 1 249.358 1.654 20 0 BDADMP CC(C)CC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000068944814 343252966 /nfs/dbraw/zinc/25/29/66/343252966.db2.gz BKNSIFCSKUUJIZ-NEPJUHHUSA-N 2 1 216.369 1.323 20 0 BDADMP Cc1nccn1CCC[N@H+](C)C1CC[NH2+]CC1 ZINC000348754493 136296870 /nfs/dbraw/zinc/29/68/70/136296870.db2.gz AAJCWFYSHZLKRR-UHFFFAOYSA-N 2 1 236.363 1.265 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000348754493 136296871 /nfs/dbraw/zinc/29/68/71/136296871.db2.gz AAJCWFYSHZLKRR-UHFFFAOYSA-N 3 1 236.363 1.265 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CC[NH2+]CC1 ZINC000348754493 136296872 /nfs/dbraw/zinc/29/68/72/136296872.db2.gz AAJCWFYSHZLKRR-UHFFFAOYSA-N 3 1 236.363 1.265 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000584058036 343309168 /nfs/dbraw/zinc/30/91/68/343309168.db2.gz GDWBZNLIUIFYHB-CYBMUJFWSA-N 2 1 240.322 1.228 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000584058036 343309170 /nfs/dbraw/zinc/30/91/70/343309170.db2.gz GDWBZNLIUIFYHB-CYBMUJFWSA-N 2 1 240.322 1.228 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000037859782 343358057 /nfs/dbraw/zinc/35/80/57/343358057.db2.gz XLJPBSVTJLSMAC-OAHLLOKOSA-N 2 1 248.370 1.541 20 0 BDADMP COCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000070843797 343338684 /nfs/dbraw/zinc/33/86/84/343338684.db2.gz FNBNFSZCDLKENY-UHFFFAOYSA-N 2 1 214.353 1.474 20 0 BDADMP COC1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000335638447 136302963 /nfs/dbraw/zinc/30/29/63/136302963.db2.gz REYIEJSQVIRIMD-XVSSEFHLSA-N 2 1 226.364 1.532 20 0 BDADMP c1ccc2c(c1)CC([NH2+][C@H]1CCCC[NH2+]C1)C2 ZINC000335643076 136309157 /nfs/dbraw/zinc/30/91/57/136309157.db2.gz MPIBDFKBQREQNJ-AWEZNQCLSA-N 2 1 230.355 1.886 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000166226421 136314081 /nfs/dbraw/zinc/31/40/81/136314081.db2.gz UNJXXNKNLHQCIW-JQWIXIFHSA-N 2 1 222.307 1.995 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367090775 136343580 /nfs/dbraw/zinc/34/35/80/136343580.db2.gz COYYEWGRHGBKEA-BFHYXJOUSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335854129 136355912 /nfs/dbraw/zinc/35/59/12/136355912.db2.gz VTOGQOSFSVYIPY-GFJIZPEISA-N 2 1 238.375 1.770 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000083552508 343490525 /nfs/dbraw/zinc/49/05/25/343490525.db2.gz NGNUCOGSNHQSID-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP C[N@H+](CCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000083890532 343506119 /nfs/dbraw/zinc/50/61/19/343506119.db2.gz SRRHQJHIMOABKN-UHFFFAOYSA-N 2 1 212.259 1.856 20 0 BDADMP C[N@@H+](CCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000083890532 343506122 /nfs/dbraw/zinc/50/61/22/343506122.db2.gz SRRHQJHIMOABKN-UHFFFAOYSA-N 2 1 212.259 1.856 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000310563679 343537874 /nfs/dbraw/zinc/53/78/74/343537874.db2.gz WPLHPBDRFVTCAR-CHWSQXEVSA-N 2 1 246.395 1.046 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCC1 ZINC000580566991 365772306 /nfs/dbraw/zinc/77/23/06/365772306.db2.gz LWHGJNNJGRTBJM-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCC1 ZINC000580566991 365772312 /nfs/dbraw/zinc/77/23/12/365772312.db2.gz LWHGJNNJGRTBJM-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000580566991 365772315 /nfs/dbraw/zinc/77/23/15/365772315.db2.gz LWHGJNNJGRTBJM-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000580566991 365772321 /nfs/dbraw/zinc/77/23/21/365772321.db2.gz LWHGJNNJGRTBJM-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CCC1 ZINC000580566988 365772443 /nfs/dbraw/zinc/77/24/43/365772443.db2.gz LWHGJNNJGRTBJM-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CCC1 ZINC000580566988 365772445 /nfs/dbraw/zinc/77/24/45/365772445.db2.gz LWHGJNNJGRTBJM-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000580566988 365772451 /nfs/dbraw/zinc/77/24/51/365772451.db2.gz LWHGJNNJGRTBJM-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000580566988 365772454 /nfs/dbraw/zinc/77/24/54/365772454.db2.gz LWHGJNNJGRTBJM-KBPBESRZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1ccncc1 ZINC000013734088 343640658 /nfs/dbraw/zinc/64/06/58/343640658.db2.gz QPIMAHZHRSMWLZ-UHFFFAOYSA-N 2 1 221.348 1.903 20 0 BDADMP C[N@H+](Cc1cccc(F)c1)C1CC([NH3+])C1 ZINC000087653179 343655623 /nfs/dbraw/zinc/65/56/23/343655623.db2.gz QSZXUCOKVMPIAO-UHFFFAOYSA-N 2 1 208.280 1.747 20 0 BDADMP C[N@@H+](Cc1cccc(F)c1)C1CC([NH3+])C1 ZINC000087653179 343655626 /nfs/dbraw/zinc/65/56/26/343655626.db2.gz QSZXUCOKVMPIAO-UHFFFAOYSA-N 2 1 208.280 1.747 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000624313379 343689072 /nfs/dbraw/zinc/68/90/72/343689072.db2.gz LMBVROWBLNVCDZ-VDISTLRHSA-N 2 1 238.375 1.628 20 0 BDADMP COc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cn1 ZINC000621775534 343899880 /nfs/dbraw/zinc/89/98/80/343899880.db2.gz QZJFUPDWAWXGGR-ZDUSSCGKSA-N 2 1 237.347 1.553 20 0 BDADMP CCn1cc(CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621783418 343906513 /nfs/dbraw/zinc/90/65/13/343906513.db2.gz BCWRKDIEIWJGDX-ZIAGYGMSSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621783418 343906515 /nfs/dbraw/zinc/90/65/15/343906515.db2.gz BCWRKDIEIWJGDX-ZIAGYGMSSA-N 2 1 248.374 1.259 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1(C)COC1 ZINC000625791319 344075175 /nfs/dbraw/zinc/07/51/75/344075175.db2.gz LXCHFHXYURRDEL-UHFFFAOYSA-N 2 1 223.320 1.160 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC1(C)COC1 ZINC000625791319 344075178 /nfs/dbraw/zinc/07/51/78/344075178.db2.gz LXCHFHXYURRDEL-UHFFFAOYSA-N 2 1 223.320 1.160 20 0 BDADMP C[NH+]1CCC(N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732401 344108234 /nfs/dbraw/zinc/10/82/34/344108234.db2.gz FTHSVJMCBCBFOU-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000167432768 344080990 /nfs/dbraw/zinc/08/09/90/344080990.db2.gz VEXUQNIEEMTNRC-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@H](CO)C2)CC[NH2+]1 ZINC000622004397 344181720 /nfs/dbraw/zinc/18/17/20/344181720.db2.gz OBCVKMZFSRDONT-SYQHCUMBSA-N 2 1 240.391 1.325 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000233453280 537843074 /nfs/dbraw/zinc/84/30/74/537843074.db2.gz QRDVSCADMZOUGC-HIFPTAJRSA-N 2 1 228.380 1.610 20 0 BDADMP C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000634779985 344316313 /nfs/dbraw/zinc/31/63/13/344316313.db2.gz OIRVUKNAJSLDRI-OKILXGFUSA-N 2 1 238.375 1.441 20 0 BDADMP CCOCCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133310343 344317415 /nfs/dbraw/zinc/31/74/15/344317415.db2.gz GGXCYUGRCOAMET-GFCCVEGCSA-N 2 1 216.369 1.718 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000133345680 344318622 /nfs/dbraw/zinc/31/86/22/344318622.db2.gz CJQGZCOSNSAITF-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000133345680 344318625 /nfs/dbraw/zinc/31/86/25/344318625.db2.gz CJQGZCOSNSAITF-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@H]([NH3+])C[C@@H]2C)c1C ZINC000385096417 344323741 /nfs/dbraw/zinc/32/37/41/344323741.db2.gz NYAXGSVTAHUKRN-CMPLNLGQSA-N 2 1 249.358 1.629 20 0 BDADMP COC(=O)CCCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000600703029 344359562 /nfs/dbraw/zinc/35/95/62/344359562.db2.gz JSEKEOULVAANSZ-LBPRGKRZSA-N 2 1 230.352 1.293 20 0 BDADMP COC(=O)[C@H]1C[N@H+](CCC[NH3+])Cc2ccccc21 ZINC000600776063 344370933 /nfs/dbraw/zinc/37/09/33/344370933.db2.gz VYDKGYQGMMOXKP-ZDUSSCGKSA-N 2 1 248.326 1.108 20 0 BDADMP COC(=O)[C@H]1C[N@@H+](CCC[NH3+])Cc2ccccc21 ZINC000600776063 344370936 /nfs/dbraw/zinc/37/09/36/344370936.db2.gz VYDKGYQGMMOXKP-ZDUSSCGKSA-N 2 1 248.326 1.108 20 0 BDADMP Cc1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385273078 344385649 /nfs/dbraw/zinc/38/56/49/344385649.db2.gz TVUBWGIRHRFBBF-YPMHNXCESA-N 2 1 204.317 1.917 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385273078 344385650 /nfs/dbraw/zinc/38/56/50/344385650.db2.gz TVUBWGIRHRFBBF-YPMHNXCESA-N 2 1 204.317 1.917 20 0 BDADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2c1C ZINC000634809828 344394442 /nfs/dbraw/zinc/39/44/42/344394442.db2.gz BYQGTUSTFFFLOI-JZYVYDRUSA-N 2 1 243.314 1.204 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000037621326 344553200 /nfs/dbraw/zinc/55/32/00/344553200.db2.gz OJJHAFAFIFAIBO-YPMHNXCESA-N 2 1 241.379 1.104 20 0 BDADMP CCCc1[nH+]ccn1CC[C@@H]1CC[NH2+]C1 ZINC000395946622 344576478 /nfs/dbraw/zinc/57/64/78/344576478.db2.gz XAARAXYRZBRSBP-NSHDSACASA-N 2 1 207.321 1.835 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251919919 344682193 /nfs/dbraw/zinc/68/21/93/344682193.db2.gz YLBKTLOYNUDGFU-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046123 344695667 /nfs/dbraw/zinc/69/56/67/344695667.db2.gz QPFPKPVUEIMWIU-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046123 344695669 /nfs/dbraw/zinc/69/56/69/344695669.db2.gz QPFPKPVUEIMWIU-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046123 344695670 /nfs/dbraw/zinc/69/56/70/344695670.db2.gz QPFPKPVUEIMWIU-RWMBFGLXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000578355142 344804361 /nfs/dbraw/zinc/80/43/61/344804361.db2.gz ZCJROPXSZAEPJW-MWLCHTKSSA-N 2 1 248.330 1.084 20 0 BDADMP COc1ccc([C@@H](C[NH3+])Cn2cc[nH+]c2C)cc1 ZINC000583439067 344962709 /nfs/dbraw/zinc/96/27/09/344962709.db2.gz VLOLMLOLUPMCDE-ZDUSSCGKSA-N 2 1 245.326 1.943 20 0 BDADMP CCCC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000050888238 345018590 /nfs/dbraw/zinc/01/85/90/345018590.db2.gz HDJWJMQHMYMVLG-QWRGUYRKSA-N 2 1 202.342 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1O ZINC000154954562 345060899 /nfs/dbraw/zinc/06/08/99/345060899.db2.gz KLMXMCYBADNWOO-OCCSQVGLSA-N 2 1 248.370 1.865 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000156052580 345120963 /nfs/dbraw/zinc/12/09/63/345120963.db2.gz WCDHLTYOIBGRKE-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634993253 345189589 /nfs/dbraw/zinc/18/95/89/345189589.db2.gz ORYBSIXBBAJNDS-MOKVOYLWSA-N 2 1 237.391 1.010 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC000634984132 345167910 /nfs/dbraw/zinc/16/79/10/345167910.db2.gz IORKWHHKGNGQFU-LLVKDONJSA-N 2 1 223.320 1.496 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000156493194 345168214 /nfs/dbraw/zinc/16/82/14/345168214.db2.gz GVZWNOODMPOWFX-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000634990854 345173255 /nfs/dbraw/zinc/17/32/55/345173255.db2.gz FXEHWSQIOOMNSO-JHJVBQTASA-N 3 1 227.396 1.277 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000634990854 345173257 /nfs/dbraw/zinc/17/32/57/345173257.db2.gz FXEHWSQIOOMNSO-JHJVBQTASA-N 3 1 227.396 1.277 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000634990855 345173631 /nfs/dbraw/zinc/17/36/31/345173631.db2.gz FXEHWSQIOOMNSO-UPJWGTAASA-N 3 1 227.396 1.277 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000634990855 345173633 /nfs/dbraw/zinc/17/36/33/345173633.db2.gz FXEHWSQIOOMNSO-UPJWGTAASA-N 3 1 227.396 1.277 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000634995963 345185974 /nfs/dbraw/zinc/18/59/74/345185974.db2.gz VBTGIQHKOPNEIT-IJLUTSLNSA-N 3 1 213.369 1.077 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074490 345123804 /nfs/dbraw/zinc/12/38/04/345123804.db2.gz SROXFHWZBBOLIB-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000634997595 345197747 /nfs/dbraw/zinc/19/77/47/345197747.db2.gz OOVGMDMKYVSEMM-SDDRHHMPSA-N 2 1 208.349 1.907 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000634998812 345199625 /nfs/dbraw/zinc/19/96/25/345199625.db2.gz LJQTWUQROAZAOH-DGCLKSJQSA-N 2 1 236.363 1.491 20 0 BDADMP CC(C)n1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000634998812 345199628 /nfs/dbraw/zinc/19/96/28/345199628.db2.gz LJQTWUQROAZAOH-DGCLKSJQSA-N 2 1 236.363 1.491 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000634999594 345200830 /nfs/dbraw/zinc/20/08/30/345200830.db2.gz WUOATAXGOYUMJZ-GXSJLCMTSA-N 2 1 235.331 1.122 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCn2nccc21 ZINC000635001805 345201986 /nfs/dbraw/zinc/20/19/86/345201986.db2.gz GHMUKEDXCSZDJM-JHJVBQTASA-N 2 1 248.374 1.838 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005130 345209409 /nfs/dbraw/zinc/20/94/09/345209409.db2.gz MQFXEZDLUYYVIN-SYQHCUMBSA-N 2 1 239.407 1.754 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635005657 345210129 /nfs/dbraw/zinc/21/01/29/345210129.db2.gz WESDZFCPPQPDFH-IJLUTSLNSA-N 2 1 208.349 1.907 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)CCOC)C1 ZINC000446780484 537896396 /nfs/dbraw/zinc/89/63/96/537896396.db2.gz KNKPKLVGKRDNCM-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446780484 537896402 /nfs/dbraw/zinc/89/64/02/537896402.db2.gz KNKPKLVGKRDNCM-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446780484 537896409 /nfs/dbraw/zinc/89/64/09/537896409.db2.gz KNKPKLVGKRDNCM-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000335604839 345418502 /nfs/dbraw/zinc/41/85/02/345418502.db2.gz UBJYWOZQMWTWKG-PWSUYJOCSA-N 2 1 214.328 1.951 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158966593 345392827 /nfs/dbraw/zinc/39/28/27/345392827.db2.gz HZDYTZCEUBXQIZ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158966593 345392828 /nfs/dbraw/zinc/39/28/28/345392828.db2.gz HZDYTZCEUBXQIZ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158966593 345392831 /nfs/dbraw/zinc/39/28/31/345392831.db2.gz HZDYTZCEUBXQIZ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)CC2)[C@@H](C)C1 ZINC000090799982 345576046 /nfs/dbraw/zinc/57/60/46/345576046.db2.gz XXCKJDQECAIBHG-GFJIZPEISA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccncc1N ZINC000641712074 362622771 /nfs/dbraw/zinc/62/27/71/362622771.db2.gz ICOKGDRABJPDSI-SNVBAGLBSA-N 2 1 222.336 1.094 20 0 BDADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400727625 345643846 /nfs/dbraw/zinc/64/38/46/345643846.db2.gz PUUMMYRAYGFCPT-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000400727626 345644093 /nfs/dbraw/zinc/64/40/93/345644093.db2.gz PUUMMYRAYGFCPT-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093343905 345653288 /nfs/dbraw/zinc/65/32/88/345653288.db2.gz BJCZHRRJNZWTKJ-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093343905 345653290 /nfs/dbraw/zinc/65/32/90/345653290.db2.gz BJCZHRRJNZWTKJ-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP FC1(F)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000142411014 345705382 /nfs/dbraw/zinc/70/53/82/345705382.db2.gz IDMPJTFYTPWRDB-UHFFFAOYSA-N 2 1 204.264 1.327 20 0 BDADMP FC1(F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000142411014 345705383 /nfs/dbraw/zinc/70/53/83/345705383.db2.gz IDMPJTFYTPWRDB-UHFFFAOYSA-N 2 1 204.264 1.327 20 0 BDADMP CC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363576744 345798226 /nfs/dbraw/zinc/79/82/26/345798226.db2.gz CPUYYNNVOGNHHE-YIYPIFLZSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363576744 345798229 /nfs/dbraw/zinc/79/82/29/345798229.db2.gz CPUYYNNVOGNHHE-YIYPIFLZSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363576744 345798233 /nfs/dbraw/zinc/79/82/33/345798233.db2.gz CPUYYNNVOGNHHE-YIYPIFLZSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000563153883 323095941 /nfs/dbraw/zinc/09/59/41/323095941.db2.gz GDFWRSRLPXMDLC-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000381474381 346025094 /nfs/dbraw/zinc/02/50/94/346025094.db2.gz NQPPLSCHZVCXIA-RWMBFGLXSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000381474381 346025097 /nfs/dbraw/zinc/02/50/97/346025097.db2.gz NQPPLSCHZVCXIA-RWMBFGLXSA-N 2 1 228.380 1.730 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000563268596 323107170 /nfs/dbraw/zinc/10/71/70/323107170.db2.gz NCTSPJLLKYKPTC-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP CC[N@H+]1CC[C@H](NCC(C)(C)[NH+](C)C)[C@H](C)C1 ZINC000152602002 346263807 /nfs/dbraw/zinc/26/38/07/346263807.db2.gz QQFMOCPIFYZJDS-OLZOCXBDSA-N 2 1 241.423 1.647 20 0 BDADMP CC1(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000309507622 347089948 /nfs/dbraw/zinc/08/99/48/347089948.db2.gz NUJYFXMATCQABC-CYBMUJFWSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000381552283 346333447 /nfs/dbraw/zinc/33/34/47/346333447.db2.gz NFVYCKYHUCOVHA-GMXVVIOVSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000381552283 346333450 /nfs/dbraw/zinc/33/34/50/346333450.db2.gz NFVYCKYHUCOVHA-GMXVVIOVSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000380187463 346377457 /nfs/dbraw/zinc/37/74/57/346377457.db2.gz GZUOAPPULXCBTK-GHMZBOCLSA-N 2 1 207.321 1.741 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCCN1CCc1c[nH+]cn1C ZINC000641797209 362743515 /nfs/dbraw/zinc/74/35/15/362743515.db2.gz XWVQTRFLYPGPGK-WCQYABFASA-N 2 1 236.363 1.164 20 0 BDADMP CCCN(CCc1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC000641797030 362741406 /nfs/dbraw/zinc/74/14/06/362741406.db2.gz QDGFYYFHTBWPJW-CYBMUJFWSA-N 2 1 236.363 1.037 20 0 BDADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807843 362765740 /nfs/dbraw/zinc/76/57/40/362765740.db2.gz SHDIKDOKUHPKGR-MMWGEVLESA-N 2 1 241.379 1.005 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC1(C)C ZINC000577121816 365825324 /nfs/dbraw/zinc/82/53/24/365825324.db2.gz JFWNJTVFLLINHG-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CCC1(C)C ZINC000577121816 365825327 /nfs/dbraw/zinc/82/53/27/365825327.db2.gz JFWNJTVFLLINHG-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000577121816 365825335 /nfs/dbraw/zinc/82/53/35/365825335.db2.gz JFWNJTVFLLINHG-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000577121816 365825342 /nfs/dbraw/zinc/82/53/42/365825342.db2.gz JFWNJTVFLLINHG-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP Cc1cccc(N2CC[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000293088007 179123618 /nfs/dbraw/zinc/12/36/18/179123618.db2.gz OIJRVBSOZSELPZ-GFCCVEGCSA-N 2 1 219.332 1.778 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000187645017 346594181 /nfs/dbraw/zinc/59/41/81/346594181.db2.gz DTUNFNWUSQIRGV-RYUDHWBXSA-N 2 1 239.363 1.700 20 0 BDADMP CC[C@@H](C[NH2+]C[C@H](C)COC)[NH+]1CCCC1 ZINC000187656580 346595631 /nfs/dbraw/zinc/59/56/31/346595631.db2.gz BDNGAVPFGCJPQH-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000310282704 323129956 /nfs/dbraw/zinc/12/99/56/323129956.db2.gz PVFSRJSHLZAVKI-OCCSQVGLSA-N 2 1 236.359 1.650 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)COC ZINC000187808222 346617388 /nfs/dbraw/zinc/61/73/88/346617388.db2.gz WSSMOZHGNCENAX-NEPJUHHUSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)COC ZINC000187808222 346617391 /nfs/dbraw/zinc/61/73/91/346617391.db2.gz WSSMOZHGNCENAX-NEPJUHHUSA-N 2 1 216.369 1.589 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121013 346682907 /nfs/dbraw/zinc/68/29/07/346682907.db2.gz LNQHZYYARYMFQB-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250006894 133644232 /nfs/dbraw/zinc/64/42/32/133644232.db2.gz TXHHLNRACUGQBC-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCn1ccnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188599 349975522 /nfs/dbraw/zinc/97/55/22/349975522.db2.gz LUPLYQHRNNXMSQ-UHFFFAOYSA-N 2 1 236.363 1.464 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000309664256 347130740 /nfs/dbraw/zinc/13/07/40/347130740.db2.gz SOMWBKSAYYXFIE-WCQYABFASA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2cccnc2C)CC1 ZINC000236858282 347243178 /nfs/dbraw/zinc/24/31/78/347243178.db2.gz FBWRJYCOSWZSCX-UHFFFAOYSA-N 2 1 233.359 1.964 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@H](C)C1 ZINC000310538070 347294245 /nfs/dbraw/zinc/29/42/45/347294245.db2.gz PVKXKIWEHXIEMG-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@H](C)C1 ZINC000310538070 347294247 /nfs/dbraw/zinc/29/42/47/347294247.db2.gz PVKXKIWEHXIEMG-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000310538070 347294249 /nfs/dbraw/zinc/29/42/49/347294249.db2.gz PVKXKIWEHXIEMG-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000310538070 347294251 /nfs/dbraw/zinc/29/42/51/347294251.db2.gz PVKXKIWEHXIEMG-IHRRRGAJSA-N 2 1 242.407 1.810 20 0 BDADMP CN1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1(C)C ZINC000250798430 362822579 /nfs/dbraw/zinc/82/25/79/362822579.db2.gz NLIGNYFBMVRXKK-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP O=c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c[nH]1 ZINC000392670714 347651896 /nfs/dbraw/zinc/65/18/96/347651896.db2.gz HNKBXSMFFLTYHD-UHFFFAOYSA-N 2 1 247.342 1.504 20 0 BDADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000591712865 347688282 /nfs/dbraw/zinc/68/82/82/347688282.db2.gz YJVJXKJXCKWYNL-LBPRGKRZSA-N 2 1 236.363 1.620 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000591712865 347688285 /nfs/dbraw/zinc/68/82/85/347688285.db2.gz YJVJXKJXCKWYNL-LBPRGKRZSA-N 2 1 236.363 1.620 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000252915095 347703155 /nfs/dbraw/zinc/70/31/55/347703155.db2.gz SLELGMBKDDXUQA-GHMZBOCLSA-N 2 1 216.394 1.799 20 0 BDADMP C[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000591886188 347711404 /nfs/dbraw/zinc/71/14/04/347711404.db2.gz SRQQUIUNNKFWPI-ZDUSSCGKSA-N 2 1 248.370 1.621 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358174735 179282384 /nfs/dbraw/zinc/28/23/84/179282384.db2.gz YZUBCSWFKBVVDM-CQSZACIVSA-N 2 1 234.343 1.151 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358174735 179282388 /nfs/dbraw/zinc/28/23/88/179282388.db2.gz YZUBCSWFKBVVDM-CQSZACIVSA-N 2 1 234.343 1.151 20 0 BDADMP COC[C@H](C)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308614365 347916089 /nfs/dbraw/zinc/91/60/89/347916089.db2.gz LYKXJTOTLKLFKI-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)C ZINC000594583534 348076640 /nfs/dbraw/zinc/07/66/40/348076640.db2.gz UMJAXXLWHBIQFL-NEPJUHHUSA-N 2 1 242.363 1.304 20 0 BDADMP Cc1cccn2c(C[N@@H+]3CC[C@@H](C[NH3+])C3)cnc12 ZINC000336622485 179353821 /nfs/dbraw/zinc/35/38/21/179353821.db2.gz RYYUHPRZNNHXKZ-LBPRGKRZSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1cccn2c(C[N@H+]3CC[C@@H](C[NH3+])C3)cnc12 ZINC000336622485 179353824 /nfs/dbraw/zinc/35/38/24/179353824.db2.gz RYYUHPRZNNHXKZ-LBPRGKRZSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130917937 179378343 /nfs/dbraw/zinc/37/83/43/179378343.db2.gz VUUJMUSKLITTDT-MJBXVCDLSA-N 2 1 245.370 1.949 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000037248650 348290923 /nfs/dbraw/zinc/29/09/23/348290923.db2.gz UUCXGBMMPJMQRO-SNVBAGLBSA-N 2 1 200.351 1.176 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCC2)CC1(C)C ZINC000623490693 362915692 /nfs/dbraw/zinc/91/56/92/362915692.db2.gz STFBPSDOXZQGBN-GFCCVEGCSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000070359420 349996010 /nfs/dbraw/zinc/99/60/10/349996010.db2.gz NDHWLXADEJOHJQ-RDBSUJKOSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1(C(=O)OC)CCC1 ZINC000596655360 348599641 /nfs/dbraw/zinc/59/96/41/348599641.db2.gz VWDVJQOZWRUXNZ-WDEREUQCSA-N 2 1 242.363 1.306 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000596655490 348600207 /nfs/dbraw/zinc/60/02/07/348600207.db2.gz WBNHYWZQNOOEDL-IRCOFANPSA-N 2 1 242.363 1.162 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000069847312 490187216 /nfs/dbraw/zinc/18/72/16/490187216.db2.gz XRIOPKVWQDVYNI-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000070013104 490196041 /nfs/dbraw/zinc/19/60/41/490196041.db2.gz SVRYAZOWGHIGFH-UPJWGTAASA-N 2 1 224.348 1.382 20 0 BDADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000070013104 490196044 /nfs/dbraw/zinc/19/60/44/490196044.db2.gz SVRYAZOWGHIGFH-UPJWGTAASA-N 2 1 224.348 1.382 20 0 BDADMP CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000049709332 348831005 /nfs/dbraw/zinc/83/10/05/348831005.db2.gz OGCXBMZPWNQLFE-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000308856507 348908023 /nfs/dbraw/zinc/90/80/23/348908023.db2.gz OHISJNYYCFTHKW-NWDGAFQWSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000308856507 348908025 /nfs/dbraw/zinc/90/80/25/348908025.db2.gz OHISJNYYCFTHKW-NWDGAFQWSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000308856507 348908028 /nfs/dbraw/zinc/90/80/28/348908028.db2.gz OHISJNYYCFTHKW-NWDGAFQWSA-N 2 1 216.369 1.277 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000308856507 348908031 /nfs/dbraw/zinc/90/80/31/348908031.db2.gz OHISJNYYCFTHKW-NWDGAFQWSA-N 2 1 216.369 1.277 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527264 490223646 /nfs/dbraw/zinc/22/36/46/490223646.db2.gz ZECZUUBFWUMMCW-RWMBFGLXSA-N 2 1 238.375 1.029 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527264 490223651 /nfs/dbraw/zinc/22/36/51/490223651.db2.gz ZECZUUBFWUMMCW-RWMBFGLXSA-N 2 1 238.375 1.029 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527264 490223655 /nfs/dbraw/zinc/22/36/55/490223655.db2.gz ZECZUUBFWUMMCW-RWMBFGLXSA-N 2 1 238.375 1.029 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000250947936 349181234 /nfs/dbraw/zinc/18/12/34/349181234.db2.gz DIEGNJCHXUMNGW-NEPJUHHUSA-N 2 1 249.358 1.710 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250518175 349174929 /nfs/dbraw/zinc/17/49/29/349174929.db2.gz RMVQYHBINMRXKQ-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C)COC)C1 ZINC000253130513 349225129 /nfs/dbraw/zinc/22/51/29/349225129.db2.gz VSUAQYXDVSQKOS-RYUDHWBXSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524996 362945544 /nfs/dbraw/zinc/94/55/44/362945544.db2.gz ROBSJLHKUVCADH-RYUDHWBXSA-N 2 1 227.396 1.399 20 0 BDADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530250 362949786 /nfs/dbraw/zinc/94/97/86/362949786.db2.gz RIYNLJQEFPPHPT-QWHCGFSZSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530250 362949791 /nfs/dbraw/zinc/94/97/91/362949791.db2.gz RIYNLJQEFPPHPT-QWHCGFSZSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+](C)C ZINC000623530250 362949794 /nfs/dbraw/zinc/94/97/94/362949794.db2.gz RIYNLJQEFPPHPT-QWHCGFSZSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000132072039 191024199 /nfs/dbraw/zinc/02/41/99/191024199.db2.gz JLDSDNGIJQPGTL-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CCOC1 ZINC000334278666 538062612 /nfs/dbraw/zinc/06/26/12/538062612.db2.gz POMUBUSWROSZCU-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000309192801 350166969 /nfs/dbraw/zinc/16/69/69/350166969.db2.gz CRDOUTMHBCPPGP-STQMWFEESA-N 3 1 227.396 1.435 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN(C)C1 ZINC000309192801 350166972 /nfs/dbraw/zinc/16/69/72/350166972.db2.gz CRDOUTMHBCPPGP-STQMWFEESA-N 2 1 227.396 1.435 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309193948 350167032 /nfs/dbraw/zinc/16/70/32/350167032.db2.gz CXZWEHAVMWVGAI-JHJVBQTASA-N 2 1 227.396 1.575 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314969554 350175525 /nfs/dbraw/zinc/17/55/25/350175525.db2.gz WIDMJUDGMDUUAO-YPMHNXCESA-N 2 1 237.347 1.367 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427128213 191053972 /nfs/dbraw/zinc/05/39/72/191053972.db2.gz KACBPKBLXWCOPV-RYUDHWBXSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC2CC[NH2+]CC2)s1 ZINC000086701577 180138791 /nfs/dbraw/zinc/13/87/91/180138791.db2.gz HXALRLCKGNFHBW-UHFFFAOYSA-N 2 1 239.388 1.883 20 0 BDADMP CCc1ccc(C[N@@H+](C)CC2CN(C)C2)o1 ZINC000668540149 490357637 /nfs/dbraw/zinc/35/76/37/490357637.db2.gz XWDOLYLGONPNBE-UHFFFAOYSA-N 2 1 222.332 1.835 20 0 BDADMP CCc1ccc(CN(C)CC2C[NH+](C)C2)o1 ZINC000668540149 490357644 /nfs/dbraw/zinc/35/76/44/490357644.db2.gz XWDOLYLGONPNBE-UHFFFAOYSA-N 2 1 222.332 1.835 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC000151140529 191059444 /nfs/dbraw/zinc/05/94/44/191059444.db2.gz SNOQTMKNSNAEAM-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1nccc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000272255982 180194967 /nfs/dbraw/zinc/19/49/67/180194967.db2.gz ZGWRULAEXWESPT-NEPJUHHUSA-N 2 1 232.331 1.315 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](C)(O)C1 ZINC000270611502 180239274 /nfs/dbraw/zinc/23/92/74/180239274.db2.gz IHDVVGLSIUYITA-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](C)(O)C1 ZINC000270611502 180239276 /nfs/dbraw/zinc/23/92/76/180239276.db2.gz IHDVVGLSIUYITA-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCCO1 ZINC000270619549 180249179 /nfs/dbraw/zinc/24/91/79/180249179.db2.gz DCPXNBODZNCOHN-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCCO1 ZINC000270619549 180249181 /nfs/dbraw/zinc/24/91/81/180249181.db2.gz DCPXNBODZNCOHN-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000336705661 180250722 /nfs/dbraw/zinc/25/07/22/180250722.db2.gz NTANPDWNNYQLQB-STQMWFEESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000336705661 180250723 /nfs/dbraw/zinc/25/07/23/180250723.db2.gz NTANPDWNNYQLQB-STQMWFEESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@H]1C ZINC000293401707 180241208 /nfs/dbraw/zinc/24/12/08/180241208.db2.gz LPFLOEKTGWEYMC-WDEREUQCSA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@H]1C ZINC000293401707 180241209 /nfs/dbraw/zinc/24/12/09/180241209.db2.gz LPFLOEKTGWEYMC-WDEREUQCSA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@H]1C ZINC000336683859 180242238 /nfs/dbraw/zinc/24/22/38/180242238.db2.gz SZIPPNWORFQCEW-ZYHUDNBSSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000336683859 180242240 /nfs/dbraw/zinc/24/22/40/180242240.db2.gz SZIPPNWORFQCEW-ZYHUDNBSSA-N 2 1 223.320 1.037 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086725362 490417052 /nfs/dbraw/zinc/41/70/52/490417052.db2.gz HMIOOJWQXLGTRB-DGCLKSJQSA-N 2 1 204.317 1.742 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000273953606 180244549 /nfs/dbraw/zinc/24/45/49/180244549.db2.gz FESNXRWTAIJFRF-JTQLQIEISA-N 2 1 233.319 1.656 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cncs1 ZINC000268808537 180261156 /nfs/dbraw/zinc/26/11/56/180261156.db2.gz LPEFIPZPTMPCDM-SECBINFHSA-N 2 1 236.344 1.999 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CSC[C@H]1C ZINC000285849779 180262710 /nfs/dbraw/zinc/26/27/10/180262710.db2.gz HZRPACJDOJQUKI-KOLCDFICSA-N 2 1 225.361 1.533 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050285440 180308951 /nfs/dbraw/zinc/30/89/51/180308951.db2.gz SUGCGKQPQXACSW-SNVBAGLBSA-N 2 1 225.361 1.275 20 0 BDADMP C[C@H]1C[C@@H](NCCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000132005712 191101331 /nfs/dbraw/zinc/10/13/31/191101331.db2.gz JKVYEHQRRVTDML-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)CC[C@@H]1[NH3+] ZINC000328218632 350393694 /nfs/dbraw/zinc/39/36/94/350393694.db2.gz XRXZPDBSYHRCPX-VOAKCMCISA-N 2 1 226.364 1.207 20 0 BDADMP CCN1CCC([N@@H+](C)CCSC)CC1 ZINC000336673099 350431353 /nfs/dbraw/zinc/43/13/53/350431353.db2.gz OJEJUPASSSWWQN-UHFFFAOYSA-N 2 1 216.394 1.766 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCSC)CC1 ZINC000336673099 350431358 /nfs/dbraw/zinc/43/13/58/350431358.db2.gz OJEJUPASSSWWQN-UHFFFAOYSA-N 2 1 216.394 1.766 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000336696998 350451853 /nfs/dbraw/zinc/45/18/53/350451853.db2.gz KBQABTFZOODMEA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000336696998 350451855 /nfs/dbraw/zinc/45/18/55/350451855.db2.gz KBQABTFZOODMEA-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCO)CC[C@H]21 ZINC000227342745 350493183 /nfs/dbraw/zinc/49/31/83/350493183.db2.gz JZZMLWICWPFGCU-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC1(C)C ZINC000623542994 362961145 /nfs/dbraw/zinc/96/11/45/362961145.db2.gz ZYCCRYWONJHBPA-YNEHKIRRSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000339008854 350726173 /nfs/dbraw/zinc/72/61/73/350726173.db2.gz DGOWEHAUWNEDRS-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000339008854 350726175 /nfs/dbraw/zinc/72/61/75/350726175.db2.gz DGOWEHAUWNEDRS-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000339008854 350726177 /nfs/dbraw/zinc/72/61/77/350726177.db2.gz DGOWEHAUWNEDRS-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1CSCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251761518 350902683 /nfs/dbraw/zinc/90/26/83/350902683.db2.gz LWRKTBUTIHNXKT-UWVGGRQHSA-N 2 1 200.351 1.033 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H](C)O ZINC000571516591 351077230 /nfs/dbraw/zinc/07/72/30/351077230.db2.gz OVDZDORHXPIFQC-MXWKQRLJSA-N 2 1 225.336 1.187 20 0 BDADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000628351371 351313408 /nfs/dbraw/zinc/31/34/08/351313408.db2.gz CSYNVZDVLOOOEC-WDEREUQCSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000628351371 351313411 /nfs/dbraw/zinc/31/34/11/351313411.db2.gz CSYNVZDVLOOOEC-WDEREUQCSA-N 2 1 226.364 1.362 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000577739715 366047994 /nfs/dbraw/zinc/04/79/94/366047994.db2.gz BSBUZMDSRFMCHE-STQMWFEESA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000577739715 366047995 /nfs/dbraw/zinc/04/79/95/366047995.db2.gz BSBUZMDSRFMCHE-STQMWFEESA-N 3 1 227.396 1.304 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000577739715 366048000 /nfs/dbraw/zinc/04/80/00/366048000.db2.gz BSBUZMDSRFMCHE-STQMWFEESA-N 3 1 227.396 1.304 20 0 BDADMP FC1(C[NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000390002312 351788627 /nfs/dbraw/zinc/78/86/27/351788627.db2.gz UIUXHRVESIQDQO-QMMMGPOBSA-N 2 1 209.268 1.359 20 0 BDADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000178029819 366079478 /nfs/dbraw/zinc/07/94/78/366079478.db2.gz YEAVDVBCGMSAAH-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638088412 351965556 /nfs/dbraw/zinc/96/55/56/351965556.db2.gz CEWLHMFPYDQHQF-PDWCTOEPSA-N 2 1 220.360 1.716 20 0 BDADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000638174361 352042899 /nfs/dbraw/zinc/04/28/99/352042899.db2.gz LWABIGSGHLCABM-LBPRGKRZSA-N 2 1 247.342 1.426 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638452236 352262072 /nfs/dbraw/zinc/26/20/72/352262072.db2.gz VVVOSTJXQLJWAY-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(F)c1N ZINC000638462200 352272754 /nfs/dbraw/zinc/27/27/54/352272754.db2.gz KGLACDSZKSULJC-UHFFFAOYSA-N 2 1 248.305 1.703 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000340451598 352369676 /nfs/dbraw/zinc/36/96/76/352369676.db2.gz ZFPWKJHNYXBEAV-NSHDSACASA-N 2 1 249.358 1.922 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261598542 535177621 /nfs/dbraw/zinc/17/76/21/535177621.db2.gz ZPYXQNKMGSPQOV-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414978909 352417503 /nfs/dbraw/zinc/41/75/03/352417503.db2.gz STRHOQXYAPZGPZ-KBPBESRZSA-N 2 1 241.423 1.694 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503691 352597965 /nfs/dbraw/zinc/59/79/65/352597965.db2.gz SVPGHCZWYSZFBE-YPMHNXCESA-N 2 1 241.379 1.104 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C/C=C/Cl)C2 ZINC000307601075 352667091 /nfs/dbraw/zinc/66/70/91/352667091.db2.gz UITIKJHIMDXKGN-GGYDMKNQSA-N 2 1 214.740 1.800 20 0 BDADMP C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)C1CC[NH2+]CC1 ZINC000043425689 352637452 /nfs/dbraw/zinc/63/74/52/352637452.db2.gz RDXMTKJGSMBUBN-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043427979 352637567 /nfs/dbraw/zinc/63/75/67/352637567.db2.gz NSKJYGFQPCMRSK-STQMWFEESA-N 2 1 224.348 1.239 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412036165 191247884 /nfs/dbraw/zinc/24/78/84/191247884.db2.gz LSFTUESVYDXWPZ-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412036165 191247887 /nfs/dbraw/zinc/24/78/87/191247887.db2.gz LSFTUESVYDXWPZ-YPMHNXCESA-N 2 1 237.347 1.284 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[NH2+][C@@H](C)C1 ZINC000420210028 192175998 /nfs/dbraw/zinc/17/59/98/192175998.db2.gz SAZSUCSHZIIPQR-JTQLQIEISA-N 2 1 249.314 1.056 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000343034566 352941827 /nfs/dbraw/zinc/94/18/27/352941827.db2.gz NTKPLJQOETZULN-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CCC[N@@H+](C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819547 352999275 /nfs/dbraw/zinc/99/92/75/352999275.db2.gz KKGHPMIUOPFLDN-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000037619507 358475676 /nfs/dbraw/zinc/47/56/76/358475676.db2.gz BJYIZTVKWOAPNQ-GFCCVEGCSA-N 2 1 241.379 1.057 20 0 BDADMP CC(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343254850 353251731 /nfs/dbraw/zinc/25/17/31/353251731.db2.gz VKLGUQZRIKFFML-BFHYXJOUSA-N 2 1 240.391 1.779 20 0 BDADMP Cc1ccncc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000135501404 538115386 /nfs/dbraw/zinc/11/53/86/538115386.db2.gz PVUIGJPIPRAIQI-STQMWFEESA-N 2 1 217.316 1.041 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000165595537 353393468 /nfs/dbraw/zinc/39/34/68/353393468.db2.gz DLNOHWQLVPKSQA-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000165595537 353393471 /nfs/dbraw/zinc/39/34/71/353393471.db2.gz DLNOHWQLVPKSQA-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000230126589 353473610 /nfs/dbraw/zinc/47/36/10/353473610.db2.gz MCOXTWXUTWSZGZ-MELADBBJSA-N 2 1 231.343 1.641 20 0 BDADMP Cc1nn(C)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231455135 353612062 /nfs/dbraw/zinc/61/20/62/353612062.db2.gz RRVDVRBZQLKQII-ZDUSSCGKSA-N 2 1 236.363 1.302 20 0 BDADMP Cc1nn(C)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231455135 353612064 /nfs/dbraw/zinc/61/20/64/353612064.db2.gz RRVDVRBZQLKQII-ZDUSSCGKSA-N 2 1 236.363 1.302 20 0 BDADMP C[C@@H]1CN(CC[NH+]2CCCCC2)[C@@H](C)C[N@H+]1C ZINC000334522796 353890697 /nfs/dbraw/zinc/89/06/97/353890697.db2.gz ZSHBDNXDGRLWTB-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CO[C@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000393861537 353972710 /nfs/dbraw/zinc/97/27/10/353972710.db2.gz IPMZUTZLBWHWPK-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccn1 ZINC000630078599 363282741 /nfs/dbraw/zinc/28/27/41/363282741.db2.gz URQKTZNSQBBMPI-ZWNOBZJWSA-N 2 1 219.332 1.417 20 0 BDADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000343847425 354021153 /nfs/dbraw/zinc/02/11/53/354021153.db2.gz USNHPSVOCIXTPK-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000343847425 354021156 /nfs/dbraw/zinc/02/11/56/354021156.db2.gz USNHPSVOCIXTPK-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH+](CC)C[C@H]1C)C(C)C ZINC000343907991 354036518 /nfs/dbraw/zinc/03/65/18/354036518.db2.gz GYKIPJIGCZZOBM-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@H+](CC)C[C@H]1C)C(C)C ZINC000343907991 354036522 /nfs/dbraw/zinc/03/65/22/354036522.db2.gz GYKIPJIGCZZOBM-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@@H+](CC)C[C@H]1C)C(C)C ZINC000343907991 354036526 /nfs/dbraw/zinc/03/65/26/354036526.db2.gz GYKIPJIGCZZOBM-KGLIPLIRSA-N 2 1 241.423 1.647 20 0 BDADMP CO[C@@H](CC(C)C)C[N@@H+](C)CCC[NH+](C)C ZINC000639167716 354038664 /nfs/dbraw/zinc/03/86/64/354038664.db2.gz KDAWRRBUDUVTMJ-ZDUSSCGKSA-N 2 1 230.396 1.931 20 0 BDADMP CSCC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344029979 354093238 /nfs/dbraw/zinc/09/32/38/354093238.db2.gz BJANRICVFUIGIW-UHFFFAOYSA-N 2 1 247.452 1.165 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000344304424 354215528 /nfs/dbraw/zinc/21/55/28/354215528.db2.gz UDUQJNCLOCUULC-ZDUSSCGKSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC[C@@H]1CCO1 ZINC000639178392 354253665 /nfs/dbraw/zinc/25/36/65/354253665.db2.gz KZZWDESUHUZKLB-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC[C@@H]1CCO1 ZINC000639178392 354253666 /nfs/dbraw/zinc/25/36/66/354253666.db2.gz KZZWDESUHUZKLB-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC[C@@H]1CCO1 ZINC000639178392 354253667 /nfs/dbraw/zinc/25/36/67/354253667.db2.gz KZZWDESUHUZKLB-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC[C@@H]1CCO1 ZINC000639178392 354253668 /nfs/dbraw/zinc/25/36/68/354253668.db2.gz KZZWDESUHUZKLB-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CCn1cncc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000334598364 354232949 /nfs/dbraw/zinc/23/29/49/354232949.db2.gz QFEFFAWZSBMOHB-GFCCVEGCSA-N 2 1 234.347 1.183 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cncn2C)[C@H](C)C1 ZINC000344533867 354283176 /nfs/dbraw/zinc/28/31/76/354283176.db2.gz GXOYYCUPTORHDO-DGCLKSJQSA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cncn2C)[C@H](C)C1 ZINC000344533867 354283178 /nfs/dbraw/zinc/28/31/78/354283178.db2.gz GXOYYCUPTORHDO-DGCLKSJQSA-N 2 1 236.363 1.240 20 0 BDADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000334617348 354305464 /nfs/dbraw/zinc/30/54/64/354305464.db2.gz XSKYJDAVOZWQNP-QWRGUYRKSA-N 2 1 248.317 1.390 20 0 BDADMP C[NH2+]C1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000578070704 366219507 /nfs/dbraw/zinc/21/95/07/366219507.db2.gz BTOBMUALHVPNHS-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000334649516 354440909 /nfs/dbraw/zinc/44/09/09/354440909.db2.gz HDSDSYODFGXFFG-GXSJLCMTSA-N 2 1 222.336 1.277 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1nccn1C ZINC000334768902 354590227 /nfs/dbraw/zinc/59/02/27/354590227.db2.gz NFRGLUNECRZRQE-ZJUUUORDSA-N 2 1 245.330 1.351 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1nccn1C ZINC000334768901 354590398 /nfs/dbraw/zinc/59/03/98/354590398.db2.gz NFRGLUNECRZRQE-VHSXEESVSA-N 2 1 245.330 1.351 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnc(N(C)C)n2C)[C@H]1C ZINC000335086820 354621306 /nfs/dbraw/zinc/62/13/06/354621306.db2.gz OLRYSEDCNKPEDI-QWRGUYRKSA-N 2 1 236.363 1.716 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232672664 363378348 /nfs/dbraw/zinc/37/83/48/363378348.db2.gz MZKBHZNLBDDGNF-LBPRGKRZSA-N 2 1 214.353 1.330 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000232672387 363378877 /nfs/dbraw/zinc/37/88/77/363378877.db2.gz DQZMEJYTCNNYNW-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1[nH]c2nc[nH+]c(NCC[C@H](C)[NH3+])c2c1C ZINC000622010971 370662438 /nfs/dbraw/zinc/66/24/38/370662438.db2.gz FZLWYZLGTRVOGQ-ZETCQYMHSA-N 2 1 233.319 1.724 20 0 BDADMP C[N@@H+](CCCCCO)C[C@@H]1CCC[NH2+]C1 ZINC000234262187 363418837 /nfs/dbraw/zinc/41/88/37/363418837.db2.gz VCVOVWNEBRPVOB-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH2+]C)C2)CCO1 ZINC000346652385 355003006 /nfs/dbraw/zinc/00/30/06/355003006.db2.gz QNYBGVJMNDTCCR-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH2+]C)C2)CCO1 ZINC000346652385 355003008 /nfs/dbraw/zinc/00/30/08/355003008.db2.gz QNYBGVJMNDTCCR-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2C[NH2+]C)CCO1 ZINC000346678603 355010200 /nfs/dbraw/zinc/01/02/00/355010200.db2.gz MEEKTWBJDDQKBM-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000346633552 355014691 /nfs/dbraw/zinc/01/46/91/355014691.db2.gz FMJFVAYXTNKPBS-QWRGUYRKSA-N 2 1 248.326 1.584 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000346820487 355124889 /nfs/dbraw/zinc/12/48/89/355124889.db2.gz CNPHOGUHXQCSAC-LBPRGKRZSA-N 2 1 248.374 1.553 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000346820487 355124890 /nfs/dbraw/zinc/12/48/90/355124890.db2.gz CNPHOGUHXQCSAC-LBPRGKRZSA-N 2 1 248.374 1.553 20 0 BDADMP C[NH+](C)CCSCC[N@H+]1CCCOCC1 ZINC000413000510 191334293 /nfs/dbraw/zinc/33/42/93/191334293.db2.gz PICQVGQRTDGHKP-UHFFFAOYSA-N 2 1 232.393 1.004 20 0 BDADMP CC[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000412978715 191348952 /nfs/dbraw/zinc/34/89/52/191348952.db2.gz QYFXEWAKIVXQIS-CYBMUJFWSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514672 355250831 /nfs/dbraw/zinc/25/08/31/355250831.db2.gz OTHNUMFFPXYTBH-GFCCVEGCSA-N 2 1 214.353 1.295 20 0 BDADMP CCOC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515303 355251805 /nfs/dbraw/zinc/25/18/05/355251805.db2.gz CHJGJYPXIQBRGU-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515303 355251807 /nfs/dbraw/zinc/25/18/07/355251807.db2.gz CHJGJYPXIQBRGU-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+](CC)CCCN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000347664110 355255159 /nfs/dbraw/zinc/25/51/59/355255159.db2.gz OUUBWNIOEFUOPT-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639257309 355302444 /nfs/dbraw/zinc/30/24/44/355302444.db2.gz LVWDPJBLTOUEHB-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccon1 ZINC000349236423 355372935 /nfs/dbraw/zinc/37/29/35/355372935.db2.gz HEUUAZBJWLJYAE-SNVBAGLBSA-N 2 1 234.303 1.920 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000191205414 355347587 /nfs/dbraw/zinc/34/75/87/355347587.db2.gz SPEJUXBDBMSOIX-WRWGMCAJSA-N 2 1 214.353 1.340 20 0 BDADMP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000084386047 355360883 /nfs/dbraw/zinc/36/08/83/355360883.db2.gz FKMNFEAFINMLJP-TUAOUCFPSA-N 2 1 228.405 1.812 20 0 BDADMP Cc1nocc1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000335793722 355448009 /nfs/dbraw/zinc/44/80/09/355448009.db2.gz IBLUJVONUVPKHM-YPMHNXCESA-N 2 1 235.331 1.509 20 0 BDADMP Cc1n[nH]cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335813566 355501118 /nfs/dbraw/zinc/50/11/18/355501118.db2.gz COFCXCFGRHBLIV-PBWFPOADSA-N 2 1 248.374 1.775 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703094 535285633 /nfs/dbraw/zinc/28/56/33/535285633.db2.gz GJKWZWNUHFLVLG-MELADBBJSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](CC[NH3+])NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000349972521 355551232 /nfs/dbraw/zinc/55/12/32/355551232.db2.gz ZTFWADOLQTWLOT-AAEUAGOBSA-N 2 1 249.358 1.143 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414899052 191620381 /nfs/dbraw/zinc/62/03/81/191620381.db2.gz GRYYASALSUYRSC-LBPRGKRZSA-N 2 1 222.336 1.197 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)[C@H]1CCC[NH2+]CC1 ZINC000215952290 355618358 /nfs/dbraw/zinc/61/83/58/355618358.db2.gz MLGLPDPVBWGWJP-ZDUSSCGKSA-N 2 1 234.343 1.966 20 0 BDADMP Nc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000333884745 181208441 /nfs/dbraw/zinc/20/84/41/181208441.db2.gz VNJDZLDIUQWQQA-CQSZACIVSA-N 2 1 246.358 1.070 20 0 BDADMP Nc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000333884745 181208443 /nfs/dbraw/zinc/20/84/43/181208443.db2.gz VNJDZLDIUQWQQA-CQSZACIVSA-N 2 1 246.358 1.070 20 0 BDADMP CO[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639347745 355794707 /nfs/dbraw/zinc/79/47/07/355794707.db2.gz PIIUZNXOGJVXAO-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639347744 355794938 /nfs/dbraw/zinc/79/49/38/355794938.db2.gz PIIUZNXOGJVXAO-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000216022073 355796638 /nfs/dbraw/zinc/79/66/38/355796638.db2.gz DHDHXXOSFZCFAD-DGCLKSJQSA-N 2 1 234.343 1.864 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351331653 355980028 /nfs/dbraw/zinc/98/00/28/355980028.db2.gz RUVLSNBPZLYNGZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351331653 355980034 /nfs/dbraw/zinc/98/00/34/355980034.db2.gz RUVLSNBPZLYNGZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351331653 355980040 /nfs/dbraw/zinc/98/00/40/355980040.db2.gz RUVLSNBPZLYNGZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000167322975 355991108 /nfs/dbraw/zinc/99/11/08/355991108.db2.gz LHQXKQGUUUQKFD-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+](Cc1ccncc1)[C@H]1CN2CCC1CC2 ZINC000639398410 356116484 /nfs/dbraw/zinc/11/64/84/356116484.db2.gz PMYNXTUPFHGELE-AWEZNQCLSA-N 2 1 231.343 1.608 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000351863476 356100816 /nfs/dbraw/zinc/10/08/16/356100816.db2.gz UBWTYRIOBSURGO-KGLIPLIRSA-N 2 1 247.386 1.792 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000639450767 356235464 /nfs/dbraw/zinc/23/54/64/356235464.db2.gz ZIAOGILSEPZTQH-CYBMUJFWSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420264981 192192072 /nfs/dbraw/zinc/19/20/72/192192072.db2.gz AWIHKZYPRFVPJH-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420264981 192192073 /nfs/dbraw/zinc/19/20/73/192192073.db2.gz AWIHKZYPRFVPJH-IHRRRGAJSA-N 2 1 239.407 1.578 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320350 192195103 /nfs/dbraw/zinc/19/51/03/192195103.db2.gz BJHGMRXZQQZMKX-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP Cc1cc(C)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1 ZINC000639456229 356241245 /nfs/dbraw/zinc/24/12/45/356241245.db2.gz DANZNPVJBDVRER-ZIAGYGMSSA-N 2 1 245.370 1.658 20 0 BDADMP CCN(C)C(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420295995 192204900 /nfs/dbraw/zinc/20/49/00/192204900.db2.gz WKKMNHIGVYEGDG-GFCCVEGCSA-N 2 1 243.395 1.160 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccnc(N)c1 ZINC000420297670 192205601 /nfs/dbraw/zinc/20/56/01/192205601.db2.gz ZARAYAQNCSVZOI-GFCCVEGCSA-N 2 1 236.363 1.299 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccnc(N)c1 ZINC000420297670 192205603 /nfs/dbraw/zinc/20/56/03/192205603.db2.gz ZARAYAQNCSVZOI-GFCCVEGCSA-N 2 1 236.363 1.299 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccn1 ZINC000420318562 192195642 /nfs/dbraw/zinc/19/56/42/192195642.db2.gz QHHHXJYWMQORIA-LSDHHAIUSA-N 2 1 245.370 1.698 20 0 BDADMP CC[C@H]([NH3+])CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000420272858 192196846 /nfs/dbraw/zinc/19/68/46/192196846.db2.gz WVXOQAKEUQDGLL-JTQLQIEISA-N 2 1 246.318 1.120 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422880130 192495332 /nfs/dbraw/zinc/49/53/32/192495332.db2.gz NIBGESIXTAVSLI-NWDGAFQWSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420282701 192199597 /nfs/dbraw/zinc/19/95/97/192199597.db2.gz BDVGCFPOLCVJQX-YPMHNXCESA-N 3 1 225.380 1.093 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000420302709 192207162 /nfs/dbraw/zinc/20/71/62/192207162.db2.gz BVRJOYYUDDIPPR-KGLIPLIRSA-N 3 1 239.407 1.450 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314642 192213224 /nfs/dbraw/zinc/21/32/24/192213224.db2.gz VZJKYLMENZVUMB-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCCCO1 ZINC000420307283 192208323 /nfs/dbraw/zinc/20/83/23/192208323.db2.gz BWKVFGAGTBRVSB-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CCCCO1 ZINC000420307283 192208325 /nfs/dbraw/zinc/20/83/25/192208325.db2.gz BWKVFGAGTBRVSB-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000420305512 192209482 /nfs/dbraw/zinc/20/94/82/192209482.db2.gz KKEZKQSIEJNQDL-TZMCWYRMSA-N 2 1 233.359 1.683 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](CN)C1CC1 ZINC000420312871 192210040 /nfs/dbraw/zinc/21/00/40/192210040.db2.gz IUWDNXLDHXPAAH-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000420312871 192210041 /nfs/dbraw/zinc/21/00/41/192210041.db2.gz IUWDNXLDHXPAAH-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@H](C)N)C1 ZINC000420368303 192226256 /nfs/dbraw/zinc/22/62/56/192226256.db2.gz HZRANFRFSVIBJV-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@H]([NH3+])CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000420367849 192226449 /nfs/dbraw/zinc/22/64/49/192226449.db2.gz WILSLBUBBMCORJ-GXSJLCMTSA-N 2 1 249.362 1.209 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420370114 192228366 /nfs/dbraw/zinc/22/83/66/192228366.db2.gz YLWFBXLAKBPDSI-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324882 192228819 /nfs/dbraw/zinc/22/88/19/192228819.db2.gz VPDJHLRXZHCAOU-KBPBESRZSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324882 192228821 /nfs/dbraw/zinc/22/88/21/192228821.db2.gz VPDJHLRXZHCAOU-KBPBESRZSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420324882 192228822 /nfs/dbraw/zinc/22/88/22/192228822.db2.gz VPDJHLRXZHCAOU-KBPBESRZSA-N 3 1 239.407 1.260 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H](CN)C1 ZINC000420325897 192229193 /nfs/dbraw/zinc/22/91/93/192229193.db2.gz CACOYJMNMHDHDQ-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000420325897 192229194 /nfs/dbraw/zinc/22/91/94/192229194.db2.gz CACOYJMNMHDHDQ-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000420324553 192229578 /nfs/dbraw/zinc/22/95/78/192229578.db2.gz ATYDFJYKJIFIDX-GXTWGEPZSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H]1CCN(CCC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000420324553 192229581 /nfs/dbraw/zinc/22/95/81/192229581.db2.gz ATYDFJYKJIFIDX-GXTWGEPZSA-N 2 1 239.407 1.435 20 0 BDADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420357688 192219052 /nfs/dbraw/zinc/21/90/52/192219052.db2.gz SLLCRVMFVPKMCD-CHWSQXEVSA-N 2 1 222.332 1.389 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOCC1CC1 ZINC000420356356 192219462 /nfs/dbraw/zinc/21/94/62/192219462.db2.gz GGMYDKUUVBKHQT-LLVKDONJSA-N 2 1 214.353 1.376 20 0 BDADMP [NH3+]CCOCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000420355282 192220795 /nfs/dbraw/zinc/22/07/95/192220795.db2.gz FDSARFZEKAHECB-UHFFFAOYSA-N 2 1 235.331 1.021 20 0 BDADMP Cc1ncsc1CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420357842 192220816 /nfs/dbraw/zinc/22/08/16/192220816.db2.gz HWXJVRCMNDSJAJ-LLVKDONJSA-N 2 1 241.404 1.957 20 0 BDADMP COC1CC([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000352194455 134098097 /nfs/dbraw/zinc/09/80/97/134098097.db2.gz JXHWAKGQORFCBE-UHFFFAOYSA-N 2 1 237.347 1.691 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420365351 192223619 /nfs/dbraw/zinc/22/36/19/192223619.db2.gz LAUGORMZBJQBEE-DYEKYZERSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000420387049 192234776 /nfs/dbraw/zinc/23/47/76/192234776.db2.gz GGIHWRJLAWNBPY-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000420387049 192234778 /nfs/dbraw/zinc/23/47/78/192234778.db2.gz GGIHWRJLAWNBPY-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]([NH3+])CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420383701 192235287 /nfs/dbraw/zinc/23/52/87/192235287.db2.gz ZWBWSHZWZBUKBO-OBJOEFQTSA-N 2 1 237.391 1.282 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000420387048 192235613 /nfs/dbraw/zinc/23/56/13/192235613.db2.gz GGIHWRJLAWNBPY-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000420387048 192235614 /nfs/dbraw/zinc/23/56/14/192235614.db2.gz GGIHWRJLAWNBPY-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393807 192236539 /nfs/dbraw/zinc/23/65/39/192236539.db2.gz KACTVROZYLNKLE-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393807 192236542 /nfs/dbraw/zinc/23/65/42/192236542.db2.gz KACTVROZYLNKLE-OLZOCXBDSA-N 3 1 225.380 1.060 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000420393214 192237136 /nfs/dbraw/zinc/23/71/36/192237136.db2.gz BXKRCELARWNOFJ-UONOGXRCSA-N 2 1 218.344 1.946 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420403819 192237823 /nfs/dbraw/zinc/23/78/23/192237823.db2.gz RTPUXROBIJWNCF-BFHYXJOUSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC[NH3+] ZINC000420404955 192238469 /nfs/dbraw/zinc/23/84/69/192238469.db2.gz MMNUCOFQZSRLSS-WDEREUQCSA-N 2 1 200.326 1.128 20 0 BDADMP FCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420409947 192239503 /nfs/dbraw/zinc/23/95/03/192239503.db2.gz XRTGPZVEICGTFY-NEPJUHHUSA-N 2 1 214.328 1.810 20 0 BDADMP CC[C@@H]1CN(CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420375498 192231165 /nfs/dbraw/zinc/23/11/65/192231165.db2.gz POEGXPJWKZYGDC-OAHLLOKOSA-N 2 1 247.386 1.542 20 0 BDADMP Cc1cnn(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000420373502 192232122 /nfs/dbraw/zinc/23/21/22/192232122.db2.gz ZJNBZOUHDJONFC-NSHDSACASA-N 2 1 224.352 1.155 20 0 BDADMP CC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639580803 356501655 /nfs/dbraw/zinc/50/16/55/356501655.db2.gz SNHVENIIUPANOD-STQMWFEESA-N 2 1 238.375 1.818 20 0 BDADMP CC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639580803 356501658 /nfs/dbraw/zinc/50/16/58/356501658.db2.gz SNHVENIIUPANOD-STQMWFEESA-N 2 1 238.375 1.818 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639612816 356536969 /nfs/dbraw/zinc/53/69/69/356536969.db2.gz NNBDIXPDVAXQTP-ZDUSSCGKSA-N 2 1 249.358 1.703 20 0 BDADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CCOC1 ZINC000449781620 202034199 /nfs/dbraw/zinc/03/41/99/202034199.db2.gz IXPUPUINWFKMND-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CCOC1 ZINC000449781620 202034203 /nfs/dbraw/zinc/03/42/03/202034203.db2.gz IXPUPUINWFKMND-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000639635962 356549870 /nfs/dbraw/zinc/54/98/70/356549870.db2.gz WFGREMSAOPYHHX-AAEUAGOBSA-N 2 1 237.347 1.103 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]12CCOC2 ZINC000421016946 192303893 /nfs/dbraw/zinc/30/38/93/192303893.db2.gz JOAPGSKLNXWDLT-STQMWFEESA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]12CCOC2 ZINC000421016946 192303894 /nfs/dbraw/zinc/30/38/94/192303894.db2.gz JOAPGSKLNXWDLT-STQMWFEESA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@]12CCOC2 ZINC000421016946 192303896 /nfs/dbraw/zinc/30/38/96/192303896.db2.gz JOAPGSKLNXWDLT-STQMWFEESA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@]12CCOC2 ZINC000421016946 192303898 /nfs/dbraw/zinc/30/38/98/192303898.db2.gz JOAPGSKLNXWDLT-STQMWFEESA-N 2 1 224.348 1.336 20 0 BDADMP C[N@@H+]1CCN(C(=O)CCC[NH3+])c2ccccc2C1 ZINC000167654822 134153257 /nfs/dbraw/zinc/15/32/57/134153257.db2.gz SXUNEAWBXZFPQI-UHFFFAOYSA-N 2 1 247.342 1.204 20 0 BDADMP C[N@H+]1CCN(C(=O)CCC[NH3+])c2ccccc2C1 ZINC000167654822 134153258 /nfs/dbraw/zinc/15/32/58/134153258.db2.gz SXUNEAWBXZFPQI-UHFFFAOYSA-N 2 1 247.342 1.204 20 0 BDADMP CC[C@@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)OC ZINC000639755885 356660046 /nfs/dbraw/zinc/66/00/46/356660046.db2.gz QFTQPJKCMMHDOZ-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC000639758883 356670293 /nfs/dbraw/zinc/67/02/93/356670293.db2.gz YKDPMGSLFPIWSZ-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2CC=CC2)C1 ZINC000639763991 356690259 /nfs/dbraw/zinc/69/02/59/356690259.db2.gz RXIIPZFTBNSYAP-CQSZACIVSA-N 2 1 238.375 1.341 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2CC=CC2)C1 ZINC000639763991 356690262 /nfs/dbraw/zinc/69/02/62/356690262.db2.gz RXIIPZFTBNSYAP-CQSZACIVSA-N 2 1 238.375 1.341 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000639762250 356685026 /nfs/dbraw/zinc/68/50/26/356685026.db2.gz LKBZXIIXDZWINJ-UONOGXRCSA-N 2 1 238.375 1.484 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000639762250 356685029 /nfs/dbraw/zinc/68/50/29/356685029.db2.gz LKBZXIIXDZWINJ-UONOGXRCSA-N 2 1 238.375 1.484 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000450402267 202156439 /nfs/dbraw/zinc/15/64/39/202156439.db2.gz KQJNNGFGAXAYCL-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOC2)CC1(C)C ZINC000623356315 356792420 /nfs/dbraw/zinc/79/24/20/356792420.db2.gz IJILCYJZVKTMAS-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623361121 356807405 /nfs/dbraw/zinc/80/74/05/356807405.db2.gz OCRANHDHEUOCHC-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1cc(NC2(C[NH+](C)C)CCC2)nc(C)[nH+]1 ZINC000282061359 538720804 /nfs/dbraw/zinc/72/08/04/538720804.db2.gz ZVTXKVATGOKWTB-UHFFFAOYSA-N 2 1 234.347 1.990 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000423173490 192608462 /nfs/dbraw/zinc/60/84/62/192608462.db2.gz YYPKCLPHPBSMTP-HLTSFMKQSA-N 2 1 213.350 1.920 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000393754659 357296058 /nfs/dbraw/zinc/29/60/58/357296058.db2.gz VTJNWKAZWFGUGZ-VXGBXAGGSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000393755009 357296623 /nfs/dbraw/zinc/29/66/23/357296623.db2.gz HJWSUGLRYWSZNS-YNEHKIRRSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000393755009 357296626 /nfs/dbraw/zinc/29/66/26/357296626.db2.gz HJWSUGLRYWSZNS-YNEHKIRRSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000393755009 357296629 /nfs/dbraw/zinc/29/66/29/357296629.db2.gz HJWSUGLRYWSZNS-YNEHKIRRSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000393755009 357296631 /nfs/dbraw/zinc/29/66/31/357296631.db2.gz HJWSUGLRYWSZNS-YNEHKIRRSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C[C@@H]1C[NH3+] ZINC000393358736 357307950 /nfs/dbraw/zinc/30/79/50/357307950.db2.gz RNTPFJANOVWFOQ-RFGFWPKPSA-N 2 1 240.391 1.454 20 0 BDADMP C[NH2+]C[C@H](C)CNc1[nH]c2ccccc2[nH+]1 ZINC000168331471 134197865 /nfs/dbraw/zinc/19/78/65/134197865.db2.gz IMDNOWUOJQGXPW-VIFPVBQESA-N 2 1 218.304 1.830 20 0 BDADMP CCC[NH2+]CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423295478 192685783 /nfs/dbraw/zinc/68/57/83/192685783.db2.gz APZIECAJNBAJQV-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP C[N@H+]1CC[C@@H](NCc2cc[nH]n2)CC1(C)C ZINC000623408112 357404775 /nfs/dbraw/zinc/40/47/75/357404775.db2.gz JFMIQSGIHPDZME-SNVBAGLBSA-N 2 1 222.336 1.372 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)CC1(C)C ZINC000623408244 357404868 /nfs/dbraw/zinc/40/48/68/357404868.db2.gz OGXRKNXGAWXMSC-NWDGAFQWSA-N 2 1 226.364 1.628 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397313917 357512413 /nfs/dbraw/zinc/51/24/13/357512413.db2.gz PXOQJIWPRWXAPD-XQHKEYJVSA-N 2 1 228.380 1.574 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000188565832 357562847 /nfs/dbraw/zinc/56/28/47/357562847.db2.gz PREDPNGXNSVWQA-YPMHNXCESA-N 2 1 226.364 1.580 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2cscn2)CC[N@H+]1C ZINC000158882235 538869676 /nfs/dbraw/zinc/86/96/76/538869676.db2.gz CUMQIWGKGCUHRH-WDEREUQCSA-N 2 1 239.388 1.758 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415192 357762793 /nfs/dbraw/zinc/76/27/93/357762793.db2.gz CGZQWRFJRGTXAW-GXTWGEPZSA-N 2 1 242.407 1.856 20 0 BDADMP CC[NH+](CC)CCC[NH+]1CCC(CO)CC1 ZINC000191438384 357770392 /nfs/dbraw/zinc/77/03/92/357770392.db2.gz HFZVZQWMHXJMMB-UHFFFAOYSA-N 2 1 228.380 1.423 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416862 357860393 /nfs/dbraw/zinc/86/03/93/357860393.db2.gz KDSANHGEKWJESO-AVGNSLFASA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@@H](C[NH2+][C@@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192468888 357836043 /nfs/dbraw/zinc/83/60/43/357836043.db2.gz FEBUUESBBIQZOP-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@]1(C)CCO[C@H]1C ZINC000235443072 357868906 /nfs/dbraw/zinc/86/89/06/357868906.db2.gz KQPGIXLXVAQHNO-CMPLNLGQSA-N 2 1 223.320 1.349 20 0 BDADMP C[C@@]1(CO)CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000546104729 325265281 /nfs/dbraw/zinc/26/52/81/325265281.db2.gz NXBZETOBJSSQFV-ZDUSSCGKSA-N 2 1 226.364 1.319 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000235599030 357882169 /nfs/dbraw/zinc/88/21/69/357882169.db2.gz KQPGIXLXVAQHNO-ZYHUDNBSSA-N 2 1 223.320 1.349 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000217416326 357907265 /nfs/dbraw/zinc/90/72/65/357907265.db2.gz WKRKIFXPUPCWMC-VXGBXAGGSA-N 2 1 225.380 1.330 20 0 BDADMP CCN(CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000217416326 357907267 /nfs/dbraw/zinc/90/72/67/357907267.db2.gz WKRKIFXPUPCWMC-VXGBXAGGSA-N 2 1 225.380 1.330 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000217482213 134246845 /nfs/dbraw/zinc/24/68/45/134246845.db2.gz FVYIOZKBMGZLHN-TZMCWYRMSA-N 2 1 239.407 1.578 20 0 BDADMP CCN(CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000217482213 134246846 /nfs/dbraw/zinc/24/68/46/134246846.db2.gz FVYIOZKBMGZLHN-TZMCWYRMSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H](CN[C@H]1CCC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000217536554 134248167 /nfs/dbraw/zinc/24/81/67/134248167.db2.gz YUYHNMXRYUNXOX-RYUDHWBXSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)N(C)C1CC1 ZINC000217536554 134248168 /nfs/dbraw/zinc/24/81/68/134248168.db2.gz YUYHNMXRYUNXOX-RYUDHWBXSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+](C)C2CC[NH2+]CC2)O1 ZINC000232018122 491123775 /nfs/dbraw/zinc/12/37/75/491123775.db2.gz AJZYNOCKPXLSPA-CMPLNLGQSA-N 2 1 212.337 1.238 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000584777555 358175763 /nfs/dbraw/zinc/17/57/63/358175763.db2.gz FOERFYBHLGDHSK-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222986917 358216876 /nfs/dbraw/zinc/21/68/76/358216876.db2.gz FZHHCERJGNSKHU-UTUOFQBUSA-N 3 1 213.369 1.186 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000040621046 358243004 /nfs/dbraw/zinc/24/30/04/358243004.db2.gz MWNVNYBRSMULSL-AWEZNQCLSA-N 2 1 233.359 1.902 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000040621046 358243005 /nfs/dbraw/zinc/24/30/05/358243005.db2.gz MWNVNYBRSMULSL-AWEZNQCLSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000450736279 202246990 /nfs/dbraw/zinc/24/69/90/202246990.db2.gz FCWLHOYLGMWJQY-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[N@@H+](C)CCCNCc1cnccn1 ZINC000226338576 358337468 /nfs/dbraw/zinc/33/74/68/358337468.db2.gz WKGRFRIQCSDOCU-UHFFFAOYSA-N 2 1 222.336 1.297 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228336834 358373668 /nfs/dbraw/zinc/37/36/68/358373668.db2.gz IAUOFBXJOSMTKF-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228336834 358373670 /nfs/dbraw/zinc/37/36/70/358373670.db2.gz IAUOFBXJOSMTKF-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533530 358390083 /nfs/dbraw/zinc/39/00/83/358390083.db2.gz KOZGMSJZALBRGP-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533530 358390084 /nfs/dbraw/zinc/39/00/84/358390084.db2.gz KOZGMSJZALBRGP-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000547738306 325390487 /nfs/dbraw/zinc/39/04/87/325390487.db2.gz AUDFTNZZIKVCDA-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C[C@H](C)O ZINC000623427857 358435619 /nfs/dbraw/zinc/43/56/19/358435619.db2.gz PFJPPHJUBNDYFK-FRRDWIJNSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623427464 358436424 /nfs/dbraw/zinc/43/64/24/358436424.db2.gz AQOSHCUVERMWRB-GRYCIOLGSA-N 2 1 228.380 1.466 20 0 BDADMP CCN1CCC([N@@H+](C)C[C@@H](O)C(C)(C)C)CC1 ZINC000044172626 358546016 /nfs/dbraw/zinc/54/60/16/358546016.db2.gz LKZSINRHDJPLJA-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)C(C)(C)C)CC1 ZINC000044172626 358546017 /nfs/dbraw/zinc/54/60/17/358546017.db2.gz LKZSINRHDJPLJA-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)C(C)(C)C)CC1 ZINC000044172626 358546020 /nfs/dbraw/zinc/54/60/20/358546020.db2.gz LKZSINRHDJPLJA-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CCN1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000045662958 358564446 /nfs/dbraw/zinc/56/44/46/358564446.db2.gz ZRTLVJXOMNLHAA-UHFFFAOYSA-N 2 1 227.396 1.402 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](O)C1 ZINC000049773528 358700379 /nfs/dbraw/zinc/70/03/79/358700379.db2.gz XTWZNTCZGIEMQK-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](O)C1 ZINC000049773528 358700381 /nfs/dbraw/zinc/70/03/81/358700381.db2.gz XTWZNTCZGIEMQK-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](O)C1 ZINC000049773528 358700384 /nfs/dbraw/zinc/70/03/84/358700384.db2.gz XTWZNTCZGIEMQK-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP COc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000219763230 134291062 /nfs/dbraw/zinc/29/10/62/134291062.db2.gz SLGGHJRVLNHHOF-WCQYABFASA-N 2 1 234.343 1.864 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000219763230 134291063 /nfs/dbraw/zinc/29/10/63/134291063.db2.gz SLGGHJRVLNHHOF-WCQYABFASA-N 2 1 234.343 1.864 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCn1cccn1 ZINC000133302328 358750517 /nfs/dbraw/zinc/75/05/17/358750517.db2.gz VYPSDHZSHSBOAV-LBPRGKRZSA-N 2 1 224.352 1.188 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccn1 ZINC000133308367 358750645 /nfs/dbraw/zinc/75/06/45/358750645.db2.gz ACMQLCXWEYMULC-CYBMUJFWSA-N 2 1 221.348 1.887 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccn1 ZINC000133308367 358750647 /nfs/dbraw/zinc/75/06/47/358750647.db2.gz ACMQLCXWEYMULC-CYBMUJFWSA-N 2 1 221.348 1.887 20 0 BDADMP CCCn1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000219715266 134291108 /nfs/dbraw/zinc/29/11/08/134291108.db2.gz QYBKGFPGCGAHIR-GFCCVEGCSA-N 2 1 236.363 1.464 20 0 BDADMP CCCn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000219715266 134291109 /nfs/dbraw/zinc/29/11/09/134291109.db2.gz QYBKGFPGCGAHIR-GFCCVEGCSA-N 2 1 236.363 1.464 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000133339728 358751880 /nfs/dbraw/zinc/75/18/80/358751880.db2.gz SWFUTRXKMQBRIV-MXWKQRLJSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000133339728 358751882 /nfs/dbraw/zinc/75/18/82/358751882.db2.gz SWFUTRXKMQBRIV-MXWKQRLJSA-N 2 1 214.378 1.422 20 0 BDADMP COc1cc(C)nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000214094359 358753289 /nfs/dbraw/zinc/75/32/89/358753289.db2.gz CELOWKWFACEFIZ-NWDGAFQWSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)nc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000214094359 358753291 /nfs/dbraw/zinc/75/32/91/358753291.db2.gz CELOWKWFACEFIZ-NWDGAFQWSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000214094359 358753293 /nfs/dbraw/zinc/75/32/93/358753293.db2.gz CELOWKWFACEFIZ-NWDGAFQWSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000214094304 358753408 /nfs/dbraw/zinc/75/34/08/358753408.db2.gz CELOWKWFACEFIZ-RYUDHWBXSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)nc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000214094304 358753409 /nfs/dbraw/zinc/75/34/09/358753409.db2.gz CELOWKWFACEFIZ-RYUDHWBXSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000214094304 358753412 /nfs/dbraw/zinc/75/34/12/358753412.db2.gz CELOWKWFACEFIZ-RYUDHWBXSA-N 2 1 249.358 1.568 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CO)C1 ZINC000051887363 358765688 /nfs/dbraw/zinc/76/56/88/358765688.db2.gz AFBUHSODFOFKFZ-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](CO)C1 ZINC000051887363 358765693 /nfs/dbraw/zinc/76/56/93/358765693.db2.gz AFBUHSODFOFKFZ-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](CO)C1 ZINC000051887363 358765696 /nfs/dbraw/zinc/76/56/96/358765696.db2.gz AFBUHSODFOFKFZ-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP COCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051953316 358768687 /nfs/dbraw/zinc/76/86/87/358768687.db2.gz NDYSLLYJLQVWNY-UHFFFAOYSA-N 2 1 226.364 1.583 20 0 BDADMP CCN1CCC([N@H+](C)Cc2ccnc(N)c2)CC1 ZINC000052727956 358791234 /nfs/dbraw/zinc/79/12/34/358791234.db2.gz MIZNRDIBUJGNBP-UHFFFAOYSA-N 2 1 248.374 1.580 20 0 BDADMP CCN1CCC([N@@H+](C)Cc2ccnc(N)c2)CC1 ZINC000052727956 358791239 /nfs/dbraw/zinc/79/12/39/358791239.db2.gz MIZNRDIBUJGNBP-UHFFFAOYSA-N 2 1 248.374 1.580 20 0 BDADMP CC(C)[N@@H+](CCOCC[NH3+])CC1CC1 ZINC000086435547 358976882 /nfs/dbraw/zinc/97/68/82/358976882.db2.gz PRUPCNKAJQMEQC-UHFFFAOYSA-N 2 1 200.326 1.082 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H](C)C[NH3+])C[C@@H]1OC ZINC000423320482 192704762 /nfs/dbraw/zinc/70/47/62/192704762.db2.gz GQJAVDVKHNEHAQ-MXWKQRLJSA-N 2 1 214.353 1.517 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)O ZINC000075861029 359230157 /nfs/dbraw/zinc/23/01/57/359230157.db2.gz ZCFHIGPKZPKTTO-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)O ZINC000075861029 359230160 /nfs/dbraw/zinc/23/01/60/359230160.db2.gz ZCFHIGPKZPKTTO-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(C)(C)O ZINC000075861029 359230165 /nfs/dbraw/zinc/23/01/65/359230165.db2.gz ZCFHIGPKZPKTTO-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(Cc3cncnc3)CC[C@H]21 ZINC000247269876 359207669 /nfs/dbraw/zinc/20/76/69/359207669.db2.gz YBDSKYPXADLIPD-ZIAGYGMSSA-N 2 1 246.358 1.393 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248182664 359258114 /nfs/dbraw/zinc/25/81/14/359258114.db2.gz WRYCUMFPGAYTPL-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248182664 359258118 /nfs/dbraw/zinc/25/81/18/359258118.db2.gz WRYCUMFPGAYTPL-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248182664 359258124 /nfs/dbraw/zinc/25/81/24/359258124.db2.gz WRYCUMFPGAYTPL-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC2)CC1(C)C ZINC000623438109 359331422 /nfs/dbraw/zinc/33/14/22/359331422.db2.gz LTAOGERTLRGXEY-NSHDSACASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623444946 359338269 /nfs/dbraw/zinc/33/82/69/359338269.db2.gz XRBDBLGTIBIIKP-NEPJUHHUSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)CC ZINC000379540862 359540370 /nfs/dbraw/zinc/54/03/70/359540370.db2.gz PHPGTKSGXMCGDJ-MNOVXSKESA-N 2 1 202.342 1.029 20 0 BDADMP CC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000379540862 359540375 /nfs/dbraw/zinc/54/03/75/359540375.db2.gz PHPGTKSGXMCGDJ-MNOVXSKESA-N 2 1 202.342 1.029 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000379540862 359540379 /nfs/dbraw/zinc/54/03/79/359540379.db2.gz PHPGTKSGXMCGDJ-MNOVXSKESA-N 2 1 202.342 1.029 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](O)CN(C)CC ZINC000379545402 359541507 /nfs/dbraw/zinc/54/15/07/359541507.db2.gz VYOGZGFIGLMDQE-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP CCC[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000379545402 359541509 /nfs/dbraw/zinc/54/15/09/359541509.db2.gz VYOGZGFIGLMDQE-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000379545402 359541510 /nfs/dbraw/zinc/54/15/10/359541510.db2.gz VYOGZGFIGLMDQE-NSHDSACASA-N 2 1 202.342 1.031 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)[C@H](C)O1 ZINC000423543441 192809149 /nfs/dbraw/zinc/80/91/49/192809149.db2.gz BVVUKOVUDKNOBT-RHYQMDGZSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CSC1 ZINC000308974222 491141691 /nfs/dbraw/zinc/14/16/91/491141691.db2.gz GBZQXWLZJGRXPS-VIFPVBQESA-N 2 1 225.361 1.533 20 0 BDADMP CCc1nc(NC[C@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000045955017 359746853 /nfs/dbraw/zinc/74/68/53/359746853.db2.gz HJCHMMJGLGEUNI-NSHDSACASA-N 2 1 234.347 1.759 20 0 BDADMP CC(C)(O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694325 359813882 /nfs/dbraw/zinc/81/38/82/359813882.db2.gz TXSYCICEUZEUPO-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000087363198 359908355 /nfs/dbraw/zinc/90/83/55/359908355.db2.gz NCYDMRSTSUHWTN-CYBMUJFWSA-N 2 1 222.307 1.628 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000578539943 366594773 /nfs/dbraw/zinc/59/47/73/366594773.db2.gz KEYXRGXKSNCKFU-XQQFMLRXSA-N 2 1 228.380 1.501 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC(C2CCC2)C1 ZINC000578766737 366643696 /nfs/dbraw/zinc/64/36/96/366643696.db2.gz FVVBPSGYYIJOHJ-CQSZACIVSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000578766737 366643699 /nfs/dbraw/zinc/64/36/99/366643699.db2.gz FVVBPSGYYIJOHJ-CQSZACIVSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000578766737 366643707 /nfs/dbraw/zinc/64/37/07/366643707.db2.gz FVVBPSGYYIJOHJ-CQSZACIVSA-N 2 1 240.391 1.419 20 0 BDADMP CN(C)c1nc(N[C@H]2CCCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000089108942 359990430 /nfs/dbraw/zinc/99/04/30/359990430.db2.gz UUKMZBHMTYOKCP-MNOVXSKESA-N 2 1 249.362 1.472 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666446 360121674 /nfs/dbraw/zinc/12/16/74/360121674.db2.gz QSEDXXALCTVNDE-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666446 360121681 /nfs/dbraw/zinc/12/16/81/360121681.db2.gz QSEDXXALCTVNDE-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093451085 360244393 /nfs/dbraw/zinc/24/43/93/360244393.db2.gz YOGFCDWFMPLNAP-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP CC[C@H]1C[N@H+](CC2(F)CC2)CC[C@@H]1[NH3+] ZINC000306522238 360356695 /nfs/dbraw/zinc/35/66/95/360356695.db2.gz PKBBYDPTRZNYCL-UWVGGRQHSA-N 2 1 200.301 1.548 20 0 BDADMP CC[C@H]1C[N@@H+](CC2(F)CC2)CC[C@@H]1[NH3+] ZINC000306522238 360356700 /nfs/dbraw/zinc/35/67/00/360356700.db2.gz PKBBYDPTRZNYCL-UWVGGRQHSA-N 2 1 200.301 1.548 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309470663 491149228 /nfs/dbraw/zinc/14/92/28/491149228.db2.gz ANFZDJPECUVFKU-QWHCGFSZSA-N 2 1 219.332 1.741 20 0 BDADMP C[C@H]1CCC[C@@H](C[N@@H+](C)CCOCC[NH3+])C1 ZINC000381036286 360536614 /nfs/dbraw/zinc/53/66/14/360536614.db2.gz FHNTUEZNTUHSHG-QWHCGFSZSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000629407616 361055637 /nfs/dbraw/zinc/05/56/37/361055637.db2.gz FQSIWXBELHOCDV-OUCADQQQSA-N 2 1 246.354 1.893 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629521538 361117740 /nfs/dbraw/zinc/11/77/40/361117740.db2.gz UNWBEGUBEMZCSA-CYZMBNFOSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629527741 361133904 /nfs/dbraw/zinc/13/39/04/361133904.db2.gz DMIOGUYHPYTSIX-JQWIXIFHSA-N 2 1 234.347 1.223 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629527741 361133909 /nfs/dbraw/zinc/13/39/09/361133909.db2.gz DMIOGUYHPYTSIX-JQWIXIFHSA-N 2 1 234.347 1.223 20 0 BDADMP Cc1ccncc1[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523033 361124795 /nfs/dbraw/zinc/12/47/95/361124795.db2.gz DTNGKOLMLDXIGQ-LBPRGKRZSA-N 2 1 249.358 1.549 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccs1 ZINC000629525174 361125690 /nfs/dbraw/zinc/12/56/90/361125690.db2.gz YLIYZLBBWGSLCW-JTQLQIEISA-N 2 1 240.372 1.907 20 0 BDADMP Cc1cncc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629525615 361127104 /nfs/dbraw/zinc/12/71/04/361127104.db2.gz XVZVXIIHBZHGEJ-GFCCVEGCSA-N 2 1 249.358 1.549 20 0 BDADMP C[C@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534618 361303698 /nfs/dbraw/zinc/30/36/98/361303698.db2.gz QOWXQYJDCAJVNB-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000162868488 361368838 /nfs/dbraw/zinc/36/88/38/361368838.db2.gz BHQYLRYRRSOQRP-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccn2ccnc2c1 ZINC000614275091 363767992 /nfs/dbraw/zinc/76/79/92/363767992.db2.gz FJZBMZODNSBHBY-NSHDSACASA-N 2 1 244.298 1.367 20 0 BDADMP CN1CCC[C@H]1C(=O)Nc1ccn2ccnc2c1 ZINC000614275091 363767998 /nfs/dbraw/zinc/76/79/98/363767998.db2.gz FJZBMZODNSBHBY-NSHDSACASA-N 2 1 244.298 1.367 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)[C@@H](C)O1 ZINC000631221392 361380076 /nfs/dbraw/zinc/38/00/76/361380076.db2.gz GDSYOAZDQQIPCF-WZRBSPASSA-N 2 1 249.358 1.803 20 0 BDADMP COc1ccsc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309909825 491158020 /nfs/dbraw/zinc/15/80/20/491158020.db2.gz LYOUJWRRXLVQDC-UWVGGRQHSA-N 2 1 238.356 1.408 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546251 361427953 /nfs/dbraw/zinc/42/79/53/361427953.db2.gz OSNBENQRXDSNND-JBLDHEPKSA-N 2 1 208.305 1.551 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547550 361431191 /nfs/dbraw/zinc/43/11/91/361431191.db2.gz ITFQRZKYGONTKG-QJPTWQEYSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000629547624 361431837 /nfs/dbraw/zinc/43/18/37/361431837.db2.gz LDPPJBZWODSUJB-WKSBVSIWSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H](C)C1(F)F ZINC000629552273 361435277 /nfs/dbraw/zinc/43/52/77/361435277.db2.gz GRASXKNWWBAGPK-AOOOYVTPSA-N 2 1 236.306 1.185 20 0 BDADMP C[N@@H+]1CCC[C@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000629551817 361444215 /nfs/dbraw/zinc/44/42/15/361444215.db2.gz XTCSEBDHTWAFJC-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000629551817 361444219 /nfs/dbraw/zinc/44/42/19/361444219.db2.gz XTCSEBDHTWAFJC-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000629542040 361417953 /nfs/dbraw/zinc/41/79/53/361417953.db2.gz XFYZCQURTVDSNK-RGDJUOJXSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000629542037 361418113 /nfs/dbraw/zinc/41/81/13/361418113.db2.gz XFYZCQURTVDSNK-HTOAHKCRSA-N 3 1 237.391 1.105 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1 ZINC000629569688 361461753 /nfs/dbraw/zinc/46/17/53/361461753.db2.gz YSRJSNNEVQYLDP-UHFFFAOYSA-N 2 1 222.332 1.354 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000629572328 361463776 /nfs/dbraw/zinc/46/37/76/361463776.db2.gz QLRWXVJIQGVWIL-KBPBESRZSA-N 2 1 242.407 1.981 20 0 BDADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)CCOCC[NH3+] ZINC000629581078 361471609 /nfs/dbraw/zinc/47/16/09/361471609.db2.gz MGUNGCHMMHSQPF-STQMWFEESA-N 2 1 228.380 1.720 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000433168726 201164176 /nfs/dbraw/zinc/16/41/76/201164176.db2.gz ODLRBYQMGSERSL-LBPRGKRZSA-N 2 1 243.395 1.065 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC[C@H]1CCCO1)C2 ZINC000629596346 361483332 /nfs/dbraw/zinc/48/33/32/361483332.db2.gz XAJVSPUORZTSRE-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCCC(C)C ZINC000629654822 361558496 /nfs/dbraw/zinc/55/84/96/361558496.db2.gz RUFTYQGTIIHCMK-UHFFFAOYSA-N 2 1 216.369 1.590 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1ccn(C)c1 ZINC000629647603 361537814 /nfs/dbraw/zinc/53/78/14/361537814.db2.gz BDVOUTQSSAOTPZ-UHFFFAOYSA-N 2 1 209.337 1.632 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1=CCCOC1 ZINC000629648772 361542202 /nfs/dbraw/zinc/54/22/02/361542202.db2.gz VBNRZATXRYKCIE-LLVKDONJSA-N 2 1 212.337 1.296 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629649226 361543521 /nfs/dbraw/zinc/54/35/21/361543521.db2.gz MMJAMDWEJKLXQR-LSDHHAIUSA-N 2 1 247.386 1.989 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC000629660470 361566138 /nfs/dbraw/zinc/56/61/38/361566138.db2.gz USDZIJYKAIWQLD-NDBYEHHHSA-N 3 1 225.380 1.105 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]CC1(OC)CCCC1 ZINC000629649468 361544913 /nfs/dbraw/zinc/54/49/13/361544913.db2.gz BUVSARCDFYAMTB-JTQLQIEISA-N 2 1 200.326 1.143 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccn(C)c2)CC[C@H]1[NH3+] ZINC000629652195 361549455 /nfs/dbraw/zinc/54/94/55/361549455.db2.gz XSIAAQMVYWYOBQ-CHWSQXEVSA-N 2 1 221.348 1.584 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC2=CCCOC2)C1 ZINC000629652857 361551305 /nfs/dbraw/zinc/55/13/05/361551305.db2.gz DWOKJBXAWFPNSM-LBPRGKRZSA-N 2 1 210.321 1.004 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]C1 ZINC000629653018 361551873 /nfs/dbraw/zinc/55/18/73/361551873.db2.gz FDUPQLXEYHKMKW-FRRDWIJNSA-N 2 1 240.416 1.956 20 0 BDADMP CCC[C@H](C)C[N@@H+](C)CCOCC[NH2+]C ZINC000629654291 361554670 /nfs/dbraw/zinc/55/46/70/361554670.db2.gz PCICPQSGCKBAAU-LBPRGKRZSA-N 2 1 216.369 1.590 20 0 BDADMP C[N@@H+](CC1=CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629651926 361557509 /nfs/dbraw/zinc/55/75/09/361557509.db2.gz PDMHYJKXLOEWRT-PBWFPOADSA-N 2 1 236.359 1.548 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(C2CC2)c1 ZINC000629667305 361588510 /nfs/dbraw/zinc/58/85/10/361588510.db2.gz WVIKFRBDALJXSN-UHFFFAOYSA-N 2 1 248.370 1.971 20 0 BDADMP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000434671577 201231891 /nfs/dbraw/zinc/23/18/91/201231891.db2.gz IMCNOUKNDVXQMA-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000434764248 201237137 /nfs/dbraw/zinc/23/71/37/201237137.db2.gz IHPPVYXLIVMQBF-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000434764248 201237138 /nfs/dbraw/zinc/23/71/38/201237138.db2.gz IHPPVYXLIVMQBF-DYEKYZERSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@H+](Cc1c[nH]nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435389288 201267220 /nfs/dbraw/zinc/26/72/20/201267220.db2.gz JTIIMNZZRHETET-CYBMUJFWSA-N 2 1 236.363 1.682 20 0 BDADMP CC[N@@H+](Cc1c[nH]nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435389288 201267223 /nfs/dbraw/zinc/26/72/23/201267223.db2.gz JTIIMNZZRHETET-CYBMUJFWSA-N 2 1 236.363 1.682 20 0 BDADMP CC[N@H+](Cc1cnc(C)cn1)[C@H]1CCC[NH2+]CC1 ZINC000435382736 201268060 /nfs/dbraw/zinc/26/80/60/201268060.db2.gz FGMLNSINJCYHAZ-AWEZNQCLSA-N 2 1 248.374 1.749 20 0 BDADMP CC[N@@H+](Cc1cnc(C)cn1)[C@H]1CCC[NH2+]CC1 ZINC000435382736 201268064 /nfs/dbraw/zinc/26/80/64/201268064.db2.gz FGMLNSINJCYHAZ-AWEZNQCLSA-N 2 1 248.374 1.749 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154472372 201280567 /nfs/dbraw/zinc/28/05/67/201280567.db2.gz MRINAFGAROUDOV-WOPDTQHZSA-N 2 1 214.353 1.220 20 0 BDADMP Cn1ccnc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154755334 201292276 /nfs/dbraw/zinc/29/22/76/201292276.db2.gz VFXXGZGLZBXARY-UHFFFAOYSA-N 2 1 236.363 1.194 20 0 BDADMP Cn1ccnc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154755334 201292279 /nfs/dbraw/zinc/29/22/79/201292279.db2.gz VFXXGZGLZBXARY-UHFFFAOYSA-N 2 1 236.363 1.194 20 0 BDADMP C[NH2+]CCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000435883575 201295861 /nfs/dbraw/zinc/29/58/61/201295861.db2.gz ZVFKFWGMHUNFHL-AWEZNQCLSA-N 2 1 239.407 1.260 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000435886180 201292886 /nfs/dbraw/zinc/29/28/86/201292886.db2.gz UBGOEWABNPSTGV-LBPRGKRZSA-N 2 1 222.336 1.130 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000155757837 201351488 /nfs/dbraw/zinc/35/14/88/201351488.db2.gz WSXZCYPCPYIJKV-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000155757837 201351490 /nfs/dbraw/zinc/35/14/90/201351490.db2.gz WSXZCYPCPYIJKV-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000155757837 201351493 /nfs/dbraw/zinc/35/14/93/201351493.db2.gz WSXZCYPCPYIJKV-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCCC[NH3+])C1 ZINC000437795879 201374745 /nfs/dbraw/zinc/37/47/45/201374745.db2.gz HHWPYKFTMNOIPF-DZGCQCFKSA-N 2 1 247.386 1.760 20 0 BDADMP CC[NH+](CC)Cc1cn(CCCCC[NH3+])nn1 ZINC000630590676 364303236 /nfs/dbraw/zinc/30/32/36/364303236.db2.gz LDOXTFGJVBGLKN-UHFFFAOYSA-N 2 1 239.367 1.249 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C[NH2+]1 ZINC000398974866 364401830 /nfs/dbraw/zinc/40/18/30/364401830.db2.gz YINATEPZESDALC-BXKDBHETSA-N 2 1 208.349 1.905 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000665271726 541367394 /nfs/dbraw/zinc/36/73/94/541367394.db2.gz RDPZPEVHPZQCRH-WKPIXPDZSA-N 2 1 245.370 1.986 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C[NH2+]1 ZINC000398994561 364666874 /nfs/dbraw/zinc/66/68/74/364666874.db2.gz NXDZCYAVUYTQQW-QTAHKJALSA-N 2 1 212.337 1.020 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCSCC1 ZINC000252889542 364676394 /nfs/dbraw/zinc/67/63/94/364676394.db2.gz DYBJELZNVMGADH-CMPLNLGQSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCSCC1 ZINC000252889542 364676401 /nfs/dbraw/zinc/67/64/01/364676401.db2.gz DYBJELZNVMGADH-CMPLNLGQSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)CC[N@@H+]1C ZINC000248176715 364628361 /nfs/dbraw/zinc/62/83/61/364628361.db2.gz VRXIGMVXZWRJLO-WOPDTQHZSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)CC[N@H+]1C ZINC000248176715 364628365 /nfs/dbraw/zinc/62/83/65/364628365.db2.gz VRXIGMVXZWRJLO-WOPDTQHZSA-N 2 1 212.337 1.238 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000399017581 364723547 /nfs/dbraw/zinc/72/35/47/364723547.db2.gz DWKHHJXJOSIZRC-JLLWLGSASA-N 2 1 212.337 1.142 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000399017579 364723965 /nfs/dbraw/zinc/72/39/65/364723965.db2.gz DWKHHJXJOSIZRC-DLOVCJGASA-N 2 1 212.337 1.142 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CCCO1 ZINC000335011691 541419131 /nfs/dbraw/zinc/41/91/31/541419131.db2.gz XDYGYCZRKIBIQC-ZIAGYGMSSA-N 2 1 238.375 1.631 20 0 BDADMP CC[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000574440888 365060648 /nfs/dbraw/zinc/06/06/48/365060648.db2.gz PLLZPFDOANPWRD-VXGBXAGGSA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+]CCCc1[nH]c2cc3c(cc2[nH+]1)OCCO3 ZINC000019752708 181387395 /nfs/dbraw/zinc/38/73/95/181387395.db2.gz DYPXMUBGJZEFDQ-UHFFFAOYSA-N 2 1 233.271 1.225 20 0 BDADMP Cc1ncncc1[C@H](C)NC1CC[NH+](C)CC1 ZINC000575329920 365292376 /nfs/dbraw/zinc/29/23/76/365292376.db2.gz VHLGSTPAFHGNIG-NSHDSACASA-N 2 1 234.347 1.530 20 0 BDADMP Cc1cnc(C)nc1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000579770322 367003395 /nfs/dbraw/zinc/00/33/95/367003395.db2.gz UWSFHSZMLCIYFL-NSHDSACASA-N 2 1 248.374 1.659 20 0 BDADMP C[NH2+]CCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000579834931 367039805 /nfs/dbraw/zinc/03/98/05/367039805.db2.gz FRYWTUAOMVGOGM-AWEZNQCLSA-N 2 1 234.343 1.749 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000579834931 367039813 /nfs/dbraw/zinc/03/98/13/367039813.db2.gz FRYWTUAOMVGOGM-AWEZNQCLSA-N 2 1 234.343 1.749 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C)n2C)C1 ZINC000579974102 367111484 /nfs/dbraw/zinc/11/14/84/367111484.db2.gz WRNYTKYPZRXAPB-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C)n2C)C1 ZINC000579974102 367111488 /nfs/dbraw/zinc/11/14/88/367111488.db2.gz WRNYTKYPZRXAPB-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP CCC(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381008609 367333900 /nfs/dbraw/zinc/33/39/00/367333900.db2.gz RGGRVCHQWOSDMF-LBPRGKRZSA-N 2 1 228.380 1.467 20 0 BDADMP CCC(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381008609 367333905 /nfs/dbraw/zinc/33/39/05/367333905.db2.gz RGGRVCHQWOSDMF-LBPRGKRZSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)CCO1 ZINC000381378362 367390120 /nfs/dbraw/zinc/39/01/20/367390120.db2.gz JQZFYBMSSHLJPC-QWRGUYRKSA-N 2 1 223.320 1.120 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000381470007 367413741 /nfs/dbraw/zinc/41/37/41/367413741.db2.gz NZQAICPEASKCPZ-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000381621815 367440656 /nfs/dbraw/zinc/44/06/56/367440656.db2.gz AIGYYHWMVNLGCD-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccncc1 ZINC000382585392 367544780 /nfs/dbraw/zinc/54/47/80/367544780.db2.gz RWPYQNZMAOOUSH-NSHDSACASA-N 2 1 219.332 1.874 20 0 BDADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnccn2)C1 ZINC000581474390 367507067 /nfs/dbraw/zinc/50/70/67/367507067.db2.gz FNHJIGSKTUTEOG-OCCSQVGLSA-N 2 1 246.358 1.393 20 0 BDADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnccn2)C1 ZINC000581474390 367507071 /nfs/dbraw/zinc/50/70/71/367507071.db2.gz FNHJIGSKTUTEOG-OCCSQVGLSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnccn2)C1 ZINC000581474390 367507074 /nfs/dbraw/zinc/50/70/74/367507074.db2.gz FNHJIGSKTUTEOG-OCCSQVGLSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnccn2)C1 ZINC000581474390 367507078 /nfs/dbraw/zinc/50/70/78/367507078.db2.gz FNHJIGSKTUTEOG-OCCSQVGLSA-N 2 1 246.358 1.393 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000383497106 367628851 /nfs/dbraw/zinc/62/88/51/367628851.db2.gz DJGNJBXVVACBBG-JSGCOSHPSA-N 2 1 238.375 1.387 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000383497106 367628855 /nfs/dbraw/zinc/62/88/55/367628855.db2.gz DJGNJBXVVACBBG-JSGCOSHPSA-N 2 1 238.375 1.387 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000581618011 367638176 /nfs/dbraw/zinc/63/81/76/367638176.db2.gz NCALMWHPFIDRAE-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP CCCCN(C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000581618011 367638180 /nfs/dbraw/zinc/63/81/80/367638180.db2.gz NCALMWHPFIDRAE-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000384928417 367760591 /nfs/dbraw/zinc/76/05/91/367760591.db2.gz SAUCFQCVIQKJKZ-FRRDWIJNSA-N 2 1 240.391 1.752 20 0 BDADMP COC(=O)c1cccc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384960549 367765459 /nfs/dbraw/zinc/76/54/59/367765459.db2.gz WORXBLSZNGUACM-UHFFFAOYSA-N 2 1 248.326 1.395 20 0 BDADMP COC(=O)c1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000384960549 367765466 /nfs/dbraw/zinc/76/54/66/367765466.db2.gz WORXBLSZNGUACM-UHFFFAOYSA-N 2 1 248.326 1.395 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962694 367766373 /nfs/dbraw/zinc/76/63/73/367766373.db2.gz SIFVIQTYQHNOGB-RQJABVFESA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H](C)O1 ZINC000385124985 367796569 /nfs/dbraw/zinc/79/65/69/367796569.db2.gz KNGDVNSQPPHEJB-UHIISALHSA-N 2 1 238.375 1.769 20 0 BDADMP CCn1ccnc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000385347453 367820871 /nfs/dbraw/zinc/82/08/71/367820871.db2.gz NNFCCJHZGQZFJO-NEPJUHHUSA-N 2 1 236.363 1.510 20 0 BDADMP CCn1ccnc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000385423306 367827760 /nfs/dbraw/zinc/82/77/60/367827760.db2.gz BORKLSJUNRIBRI-GHMZBOCLSA-N 2 1 222.336 1.263 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000386049329 367904823 /nfs/dbraw/zinc/90/48/23/367904823.db2.gz VCQIMHKEIWPKIW-YNEHKIRRSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000386161138 367922807 /nfs/dbraw/zinc/92/28/07/367922807.db2.gz UUUQOPCGUPUFNE-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]([NH2+]CC1(O)CCC1)[C@H]1CCCC[NH2+]1 ZINC000385987447 367892338 /nfs/dbraw/zinc/89/23/38/367892338.db2.gz DPACHEKLJPULSJ-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000386016238 367899120 /nfs/dbraw/zinc/89/91/20/367899120.db2.gz NSHFXOUPHCSCBS-YNEHKIRRSA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386557117 367992677 /nfs/dbraw/zinc/99/26/77/367992677.db2.gz IGIQFQFIWZSUEE-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386610919 368001344 /nfs/dbraw/zinc/00/13/44/368001344.db2.gz WOUGKWFUTXMSSK-XQQFMLRXSA-N 2 1 228.380 1.658 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H](C)O ZINC000386678607 368009616 /nfs/dbraw/zinc/00/96/16/368009616.db2.gz HSZROMDTHHYRNA-JQWIXIFHSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](C)O ZINC000386768460 368019558 /nfs/dbraw/zinc/01/95/58/368019558.db2.gz JXPVAEHKKMFNCS-MFKMUULPSA-N 2 1 226.364 1.362 20 0 BDADMP CCn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000091127554 369005478 /nfs/dbraw/zinc/00/54/78/369005478.db2.gz GWIWDLQYIPIOKR-ZDUSSCGKSA-N 2 1 235.375 1.939 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000631823811 368984799 /nfs/dbraw/zinc/98/47/99/368984799.db2.gz OJNSLMQIONPSEE-AVGNSLFASA-N 2 1 246.358 1.344 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2nccnc2C)CC[C@@H]1[NH3+] ZINC000631824911 368987286 /nfs/dbraw/zinc/98/72/86/368987286.db2.gz UEVSIOUPKQFSRU-NEPJUHHUSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2nccnc2C)CC[C@@H]1[NH3+] ZINC000631824911 368987289 /nfs/dbraw/zinc/98/72/89/368987289.db2.gz UEVSIOUPKQFSRU-NEPJUHHUSA-N 2 1 234.347 1.344 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000631827138 368991035 /nfs/dbraw/zinc/99/10/35/368991035.db2.gz GJXGMQFSTHLEAS-NJMOYASZSA-N 2 1 226.364 1.388 20 0 BDADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000623655765 368991384 /nfs/dbraw/zinc/99/13/84/368991384.db2.gz DXWOOGCLKVTGBV-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000623655765 368991385 /nfs/dbraw/zinc/99/13/85/368991385.db2.gz DXWOOGCLKVTGBV-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000631836490 369078992 /nfs/dbraw/zinc/07/89/92/369078992.db2.gz ACHFLRCQCBYAOG-ZYHUDNBSSA-N 2 1 235.331 1.117 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000631836490 369078993 /nfs/dbraw/zinc/07/89/93/369078993.db2.gz ACHFLRCQCBYAOG-ZYHUDNBSSA-N 2 1 235.331 1.117 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1(O)CCC1 ZINC000567678312 326243837 /nfs/dbraw/zinc/24/38/37/326243837.db2.gz PNEFLJWXXCPSOV-NSHDSACASA-N 2 1 237.347 1.332 20 0 BDADMP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459522175 203296480 /nfs/dbraw/zinc/29/64/80/203296480.db2.gz HOLKBQYAIYKMJI-YWVDXFKGSA-N 2 1 238.375 1.530 20 0 BDADMP CCNC(=O)C(C)(C)[NH2+]CCC[NH+](CC)CC ZINC000459584254 203307051 /nfs/dbraw/zinc/30/70/51/203307051.db2.gz IAAQJTSJVFNNEN-UHFFFAOYSA-N 2 1 243.395 1.223 20 0 BDADMP CCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576741 369353962 /nfs/dbraw/zinc/35/39/62/369353962.db2.gz YAVKIKFJLVEZGG-KBPBESRZSA-N 2 1 246.354 1.737 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1C[C@@H]1C ZINC000401676533 369369733 /nfs/dbraw/zinc/36/97/33/369369733.db2.gz ONFYOSCAGCGUKZ-UHTWSYAYSA-N 2 1 221.348 1.987 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000388098575 369452363 /nfs/dbraw/zinc/45/23/63/369452363.db2.gz WVDAOKFYGIWJSA-NTZNESFSSA-N 2 1 226.364 1.077 20 0 BDADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000388098575 369452366 /nfs/dbraw/zinc/45/23/66/369452366.db2.gz WVDAOKFYGIWJSA-NTZNESFSSA-N 2 1 226.364 1.077 20 0 BDADMP Cn1cccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459746167 203350918 /nfs/dbraw/zinc/35/09/18/203350918.db2.gz ZAKHOBRLJRPYIG-CYBMUJFWSA-N 2 1 235.375 1.847 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)O1 ZINC000459794379 203369653 /nfs/dbraw/zinc/36/96/53/203369653.db2.gz UOBFMHDCYBNBQL-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794076 203369887 /nfs/dbraw/zinc/36/98/87/203369887.db2.gz WKUMNESDURCBIS-ZZVYKPCYSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000459794076 203369890 /nfs/dbraw/zinc/36/98/90/203369890.db2.gz WKUMNESDURCBIS-ZZVYKPCYSA-N 2 1 238.375 1.220 20 0 BDADMP Cc1c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cnn1C ZINC000252854466 370136791 /nfs/dbraw/zinc/13/67/91/370136791.db2.gz JTXDQJSPTCCSSA-FPMFFAJLSA-N 2 1 248.374 1.288 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC000252863543 370137307 /nfs/dbraw/zinc/13/73/07/370137307.db2.gz OSOIDHQLOYPUCS-FVCCEPFGSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309885097 370272123 /nfs/dbraw/zinc/27/21/23/370272123.db2.gz XRFCBWKWMYPXQO-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1Cc2ccccc2[C@@H]1C ZINC000621399843 370337927 /nfs/dbraw/zinc/33/79/27/370337927.db2.gz LEVCHFUJULKHPS-JSGCOSHPSA-N 2 1 248.370 1.876 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(CC)CC1 ZINC000310462307 370346743 /nfs/dbraw/zinc/34/67/43/370346743.db2.gz BBFHWBQOFNYIJN-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[N@@H+](Cc1ccon1)CC1CC[NH+](C)CC1 ZINC000077282166 370408789 /nfs/dbraw/zinc/40/87/89/370408789.db2.gz AIOACXXIPMUKDP-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP C[N@H+](Cc1ccon1)CC1CC[NH+](C)CC1 ZINC000077282166 370408794 /nfs/dbraw/zinc/40/87/94/370408794.db2.gz AIOACXXIPMUKDP-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccn1 ZINC000621774521 370520127 /nfs/dbraw/zinc/52/01/27/370520127.db2.gz WFLNJOMUNDWTIV-JSGCOSHPSA-N 2 1 233.359 1.949 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784479 370536156 /nfs/dbraw/zinc/53/61/56/370536156.db2.gz PNJUQRKJEWUDRJ-MJBXVCDLSA-N 3 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784479 370536160 /nfs/dbraw/zinc/53/61/60/370536160.db2.gz PNJUQRKJEWUDRJ-MJBXVCDLSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000621784479 370536167 /nfs/dbraw/zinc/53/61/67/370536167.db2.gz PNJUQRKJEWUDRJ-MJBXVCDLSA-N 2 1 237.391 1.189 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000621775033 370521977 /nfs/dbraw/zinc/52/19/77/370521977.db2.gz DGXZFZDPHFMEQD-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000621776247 370524119 /nfs/dbraw/zinc/52/41/19/370524119.db2.gz GTIPDCPWWIZMEJ-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000621776247 370524122 /nfs/dbraw/zinc/52/41/22/370524122.db2.gz GTIPDCPWWIZMEJ-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1CCCC1)C2 ZINC000621779837 370528625 /nfs/dbraw/zinc/52/86/25/370528625.db2.gz JXMCNHVMVABRBM-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP Nc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621784086 370535560 /nfs/dbraw/zinc/53/55/60/370535560.db2.gz JPEOAKBGDDGVAP-OCCSQVGLSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621784086 370535562 /nfs/dbraw/zinc/53/55/62/370535562.db2.gz JPEOAKBGDDGVAP-OCCSQVGLSA-N 2 1 231.343 1.582 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623824043 371108342 /nfs/dbraw/zinc/10/83/42/371108342.db2.gz VMGYQAGMNXPKJI-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623946923 371172873 /nfs/dbraw/zinc/17/28/73/371172873.db2.gz MOOHPHVFNBSZJS-DGCLKSJQSA-N 2 1 228.380 1.610 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624121566 371322789 /nfs/dbraw/zinc/32/27/89/371322789.db2.gz YCDAOMTVHCDZAJ-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000624122013 371322985 /nfs/dbraw/zinc/32/29/85/371322985.db2.gz ICDZMPQIUZSIAB-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000624123522 371324968 /nfs/dbraw/zinc/32/49/68/371324968.db2.gz NPUUGENICQTFPM-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000624216842 371403695 /nfs/dbraw/zinc/40/36/95/371403695.db2.gz RXUAAMCHMLWNBN-BJJPWKGXSA-N 2 1 238.375 1.220 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000624300604 371468342 /nfs/dbraw/zinc/46/83/42/371468342.db2.gz LZGQFRPPAVMFOM-YHQUGGNUSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](C)(O)C1 ZINC000161890455 371577960 /nfs/dbraw/zinc/57/79/60/371577960.db2.gz TVGZXACRYXXBJO-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000161890455 371577965 /nfs/dbraw/zinc/57/79/65/371577965.db2.gz TVGZXACRYXXBJO-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000401723702 371806329 /nfs/dbraw/zinc/80/63/29/371806329.db2.gz OXYKUTNWSVMEIM-UHFFFAOYSA-N 2 1 219.288 1.654 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)F)CC[N@@H+]1C ZINC000631657510 372482596 /nfs/dbraw/zinc/48/25/96/372482596.db2.gz DPEPEJPWZUYUAO-VHSXEESVSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)F)CC[N@H+]1C ZINC000631657510 372482606 /nfs/dbraw/zinc/48/26/06/372482606.db2.gz DPEPEJPWZUYUAO-VHSXEESVSA-N 2 1 202.317 1.807 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000631820503 372593318 /nfs/dbraw/zinc/59/33/18/372593318.db2.gz BBWWORVPCJPKGN-VXGBXAGGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822585 372599013 /nfs/dbraw/zinc/59/90/13/372599013.db2.gz IOBZWEQGVQWDTH-ZBBUEOHVSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000631829271 372611663 /nfs/dbraw/zinc/61/16/63/372611663.db2.gz MJBWJGWBMNPGHR-NXEZZACHSA-N 2 1 200.326 1.081 20 0 BDADMP COCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631859276 372657879 /nfs/dbraw/zinc/65/78/79/372657879.db2.gz LWYYVEOGGMBXHQ-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631859276 372657880 /nfs/dbraw/zinc/65/78/80/372657880.db2.gz LWYYVEOGGMBXHQ-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832059 372616146 /nfs/dbraw/zinc/61/61/46/372616146.db2.gz XGHXOWFGCMLSJI-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CCOCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832059 372616154 /nfs/dbraw/zinc/61/61/54/372616154.db2.gz XGHXOWFGCMLSJI-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000631837901 372628813 /nfs/dbraw/zinc/62/88/13/372628813.db2.gz GWNTVCGQXKZWRH-LDYMZIIASA-N 2 1 239.388 1.787 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838218 372631547 /nfs/dbraw/zinc/63/15/47/372631547.db2.gz KRGHAQDZBMARHX-GMTAPVOTSA-N 2 1 220.320 1.064 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838218 372631554 /nfs/dbraw/zinc/63/15/54/372631554.db2.gz KRGHAQDZBMARHX-GMTAPVOTSA-N 2 1 220.320 1.064 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631884358 372679452 /nfs/dbraw/zinc/67/94/52/372679452.db2.gz ISLDVCVWIRHDII-ZIAGYGMSSA-N 3 1 237.391 1.060 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631884358 372679456 /nfs/dbraw/zinc/67/94/56/372679456.db2.gz ISLDVCVWIRHDII-ZIAGYGMSSA-N 3 1 237.391 1.060 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631891352 372688472 /nfs/dbraw/zinc/68/84/72/372688472.db2.gz XYGOVQFCVNNADG-ZFWWWQNUSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631891352 372688480 /nfs/dbraw/zinc/68/84/80/372688480.db2.gz XYGOVQFCVNNADG-ZFWWWQNUSA-N 2 1 245.370 1.964 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)[C@@H]1C[NH3+] ZINC000069726996 373661058 /nfs/dbraw/zinc/66/10/58/373661058.db2.gz LWOYAEVYXFKKFQ-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)[C@@H]1C[NH3+] ZINC000069726996 373661069 /nfs/dbraw/zinc/66/10/69/373661069.db2.gz LWOYAEVYXFKKFQ-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000069860954 373891830 /nfs/dbraw/zinc/89/18/30/373891830.db2.gz ATQXREDGOJREHP-JQWIXIFHSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1cocn1)CC[NH2+]CC2 ZINC000424381457 206040064 /nfs/dbraw/zinc/04/00/64/206040064.db2.gz QVKDDJBVCGFFIP-NSHDSACASA-N 2 1 235.331 1.639 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC[N@H+]1C ZINC000224042104 259572268 /nfs/dbraw/zinc/57/22/68/259572268.db2.gz IJRAFNAJZQNJDI-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP OCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304299431 183050379 /nfs/dbraw/zinc/05/03/79/183050379.db2.gz OBNIPUTXABKPBX-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310321141 183190160 /nfs/dbraw/zinc/19/01/60/183190160.db2.gz YTHYXNDBKJKCPJ-ZIAGYGMSSA-N 2 1 238.375 1.506 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C)O)C1 ZINC000336688732 169077901 /nfs/dbraw/zinc/07/79/01/169077901.db2.gz YQXIWZZFPUTYIQ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336688732 169077903 /nfs/dbraw/zinc/07/79/03/169077903.db2.gz YQXIWZZFPUTYIQ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336688732 169077905 /nfs/dbraw/zinc/07/79/05/169077905.db2.gz YQXIWZZFPUTYIQ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H](C)O)C1 ZINC000336688734 169078761 /nfs/dbraw/zinc/07/87/61/169078761.db2.gz YQXIWZZFPUTYIQ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336688734 169078763 /nfs/dbraw/zinc/07/87/63/169078763.db2.gz YQXIWZZFPUTYIQ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336688734 169078764 /nfs/dbraw/zinc/07/87/64/169078764.db2.gz YQXIWZZFPUTYIQ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C(C)C)C1 ZINC000336720572 169079675 /nfs/dbraw/zinc/07/96/75/169079675.db2.gz WYXGAVJSYUHIFG-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336720572 169079677 /nfs/dbraw/zinc/07/96/77/169079677.db2.gz WYXGAVJSYUHIFG-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336720572 169079678 /nfs/dbraw/zinc/07/96/78/169079678.db2.gz WYXGAVJSYUHIFG-ZIAGYGMSSA-N 2 1 242.407 1.667 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](C)CC1 ZINC000353075694 169125329 /nfs/dbraw/zinc/12/53/29/169125329.db2.gz YRZYXIGSQDEACG-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000310477810 169138467 /nfs/dbraw/zinc/13/84/67/169138467.db2.gz BZRYEKUENKZJTC-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000310477810 169138469 /nfs/dbraw/zinc/13/84/69/169138469.db2.gz BZRYEKUENKZJTC-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1CC1 ZINC000310477810 169138472 /nfs/dbraw/zinc/13/84/72/169138472.db2.gz BZRYEKUENKZJTC-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1CC1 ZINC000310477810 169138474 /nfs/dbraw/zinc/13/84/74/169138474.db2.gz BZRYEKUENKZJTC-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CC[C@@H](C)O)CC1 ZINC000336684820 169186440 /nfs/dbraw/zinc/18/64/40/169186440.db2.gz VDIZAVFIENUNBF-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CCCN1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000310318972 169189108 /nfs/dbraw/zinc/18/91/08/169189108.db2.gz YBVVDDBDXXNCCL-CYBMUJFWSA-N 2 1 241.423 1.968 20 0 BDADMP CCC[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000341898832 169189740 /nfs/dbraw/zinc/18/97/40/169189740.db2.gz UQNGRWHXWDTIPQ-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000341898832 169189741 /nfs/dbraw/zinc/18/97/41/169189741.db2.gz UQNGRWHXWDTIPQ-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000156022738 183338539 /nfs/dbraw/zinc/33/85/39/183338539.db2.gz ZBIOELPCFAJBEO-HUUCEWRRSA-N 2 1 245.370 1.841 20 0 BDADMP c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000127699778 183395265 /nfs/dbraw/zinc/39/52/65/183395265.db2.gz NHUGJRHRYWUHQN-LSDHHAIUSA-N 2 1 245.370 1.841 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CC1CC1 ZINC000069665466 383837502 /nfs/dbraw/zinc/83/75/02/383837502.db2.gz YFVLINBMVXBLMI-SNVBAGLBSA-N 2 1 207.321 1.970 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)CC ZINC000313105048 383884412 /nfs/dbraw/zinc/88/44/12/383884412.db2.gz IOPWUGBKQNLNMB-KGLIPLIRSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070911449 383959198 /nfs/dbraw/zinc/95/91/98/383959198.db2.gz SWQJYOPGFQXUOB-BDAKNGLRSA-N 2 1 224.270 1.998 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224613711 383971230 /nfs/dbraw/zinc/97/12/30/383971230.db2.gz CBVLBBYWTZOBLK-SDDRHHMPSA-N 2 1 228.405 1.799 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000643545104 384009062 /nfs/dbraw/zinc/00/90/62/384009062.db2.gz RIAPGVPNZUIXCV-VIFPVBQESA-N 2 1 222.336 1.511 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cnn(C)c1 ZINC000293890965 384014938 /nfs/dbraw/zinc/01/49/38/384014938.db2.gz ZEJKQJMHUDZIQE-WDEREUQCSA-N 2 1 224.352 1.268 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000037859666 384027644 /nfs/dbraw/zinc/02/76/44/384027644.db2.gz KWNBOCLGPHDICH-UKRRQHHQSA-N 2 1 248.370 1.794 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC000090721483 384072105 /nfs/dbraw/zinc/07/21/05/384072105.db2.gz ABBALKRZIRVNSV-DGCLKSJQSA-N 2 1 219.332 1.654 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)CC[N@H+]1C ZINC000090721483 384072107 /nfs/dbraw/zinc/07/21/07/384072107.db2.gz ABBALKRZIRVNSV-DGCLKSJQSA-N 2 1 219.332 1.654 20 0 BDADMP Cn1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000091008479 384093856 /nfs/dbraw/zinc/09/38/56/384093856.db2.gz DKPYPDVSXAYJMN-CYBMUJFWSA-N 2 1 233.359 1.599 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000132202330 384138479 /nfs/dbraw/zinc/13/84/79/384138479.db2.gz BEGTZJXBQRNZQZ-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)nc1 ZINC000041214229 384183025 /nfs/dbraw/zinc/18/30/25/384183025.db2.gz DDRNXDGSCKPLFT-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP Cc1csc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000400324343 384186875 /nfs/dbraw/zinc/18/68/75/384186875.db2.gz CWYMFWPEFXNCRG-MNOVXSKESA-N 2 1 239.388 1.724 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000081715806 384196806 /nfs/dbraw/zinc/19/68/06/384196806.db2.gz DQOPOMRUZYOSCI-VWYCJHECSA-N 2 1 200.326 1.081 20 0 BDADMP CC[N@H+](CCN)CCCOc1ccc(F)cc1 ZINC000302482657 384200866 /nfs/dbraw/zinc/20/08/66/384200866.db2.gz REGHYNXVTNWNHX-UHFFFAOYSA-N 2 1 240.322 1.875 20 0 BDADMP CC[N@@H+](CCN)CCCOc1ccc(F)cc1 ZINC000302482657 384200872 /nfs/dbraw/zinc/20/08/72/384200872.db2.gz REGHYNXVTNWNHX-UHFFFAOYSA-N 2 1 240.322 1.875 20 0 BDADMP CCC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309458852 384220565 /nfs/dbraw/zinc/22/05/65/384220565.db2.gz RJRJCXCTQPEVDV-WCQYABFASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309458852 384220570 /nfs/dbraw/zinc/22/05/70/384220570.db2.gz RJRJCXCTQPEVDV-WCQYABFASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309458852 384220578 /nfs/dbraw/zinc/22/05/78/384220578.db2.gz RJRJCXCTQPEVDV-WCQYABFASA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309458852 384220587 /nfs/dbraw/zinc/22/05/87/384220587.db2.gz RJRJCXCTQPEVDV-WCQYABFASA-N 2 1 228.380 1.562 20 0 BDADMP C=Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000278855086 384252004 /nfs/dbraw/zinc/25/20/04/384252004.db2.gz LMEMQIWOAHXMEI-UHFFFAOYSA-N 2 1 232.331 1.335 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645507 384252674 /nfs/dbraw/zinc/25/26/74/384252674.db2.gz IVRGDSBDPPXOST-VXGBXAGGSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H]([NH2+]CCc1cn(C)cn1)[C@H]1CCCC[NH2+]1 ZINC000313309633 384253333 /nfs/dbraw/zinc/25/33/33/384253333.db2.gz VMFFHLQLOKXFQG-WCQYABFASA-N 2 1 236.363 1.083 20 0 BDADMP CSCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173745196 384261263 /nfs/dbraw/zinc/26/12/63/384261263.db2.gz JWGZJXYNHUEUBT-LLVKDONJSA-N 2 1 216.394 1.623 20 0 BDADMP CCn1cc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000134528131 384268354 /nfs/dbraw/zinc/26/83/54/384268354.db2.gz SVPJGYVXJIWRHV-WCQYABFASA-N 2 1 236.363 1.333 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000134528131 384268366 /nfs/dbraw/zinc/26/83/66/384268366.db2.gz SVPJGYVXJIWRHV-WCQYABFASA-N 2 1 236.363 1.333 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000134528131 384268371 /nfs/dbraw/zinc/26/83/71/384268371.db2.gz SVPJGYVXJIWRHV-WCQYABFASA-N 2 1 236.363 1.333 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000401899549 384241726 /nfs/dbraw/zinc/24/17/26/384241726.db2.gz PPAHQHUBRRYUSZ-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCn2cccn2)C1 ZINC000173919052 384287611 /nfs/dbraw/zinc/28/76/11/384287611.db2.gz KRZRQKNMJHBIGB-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCn2cccn2)C1 ZINC000173919052 384287620 /nfs/dbraw/zinc/28/76/20/384287620.db2.gz KRZRQKNMJHBIGB-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000173919052 384287628 /nfs/dbraw/zinc/28/76/28/384287628.db2.gz KRZRQKNMJHBIGB-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000173919052 384287638 /nfs/dbraw/zinc/28/76/38/384287638.db2.gz KRZRQKNMJHBIGB-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(N)nc1 ZINC000647506083 384288796 /nfs/dbraw/zinc/28/87/96/384288796.db2.gz DIAKKZKTGYBWBQ-GFCCVEGCSA-N 2 1 236.363 1.299 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N)nc1 ZINC000647506083 384288801 /nfs/dbraw/zinc/28/88/01/384288801.db2.gz DIAKKZKTGYBWBQ-GFCCVEGCSA-N 2 1 236.363 1.299 20 0 BDADMP C[N@H+](Cc1cncs1)CC1CC[NH2+]CC1 ZINC000095071337 384341298 /nfs/dbraw/zinc/34/12/98/384341298.db2.gz VKAQMMUNWJFTIV-UHFFFAOYSA-N 2 1 225.361 1.575 20 0 BDADMP c1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000095092644 384362244 /nfs/dbraw/zinc/36/22/44/384362244.db2.gz QTZOXAHHKJUJGS-SECBINFHSA-N 2 1 211.334 1.232 20 0 BDADMP CCc1cc(N[C@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC000084082125 384365661 /nfs/dbraw/zinc/36/56/61/384365661.db2.gz RCCDZEUDEPIVFX-JTQLQIEISA-N 2 1 206.293 1.121 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000335603049 384371630 /nfs/dbraw/zinc/37/16/30/384371630.db2.gz ISLDQBLSBJIEDR-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)nc1 ZINC000647509085 384332759 /nfs/dbraw/zinc/33/27/59/384332759.db2.gz LKXXAINOAZDALL-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)nc1 ZINC000647509085 384332762 /nfs/dbraw/zinc/33/27/62/384332762.db2.gz LKXXAINOAZDALL-NEPJUHHUSA-N 2 1 249.358 1.649 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cncs2)C1 ZINC000235440485 384398506 /nfs/dbraw/zinc/39/85/06/384398506.db2.gz CMIQYVXGIQEFNV-JTQLQIEISA-N 2 1 211.334 1.314 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cncs2)C1 ZINC000235440485 384398513 /nfs/dbraw/zinc/39/85/13/384398513.db2.gz CMIQYVXGIQEFNV-JTQLQIEISA-N 2 1 211.334 1.314 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2cccnc2)C[C@@H]1[NH3+] ZINC000405534010 384412524 /nfs/dbraw/zinc/41/25/24/384412524.db2.gz ZDCLIWJWSZYHEQ-WDEREUQCSA-N 2 1 205.305 1.297 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000035732831 384421726 /nfs/dbraw/zinc/42/17/26/384421726.db2.gz BZTNFIYBOXWHDS-SMHCIBLRSA-N 2 1 208.349 2.000 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])on1 ZINC000084221117 384376600 /nfs/dbraw/zinc/37/66/00/384376600.db2.gz HHGRKWCNOMCUQE-GXSJLCMTSA-N 2 1 209.293 1.200 20 0 BDADMP Cc1csc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084220286 384378301 /nfs/dbraw/zinc/37/83/01/384378301.db2.gz PPSUVLNZMOZAAS-VHSXEESVSA-N 2 1 225.361 1.669 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000229596442 384384952 /nfs/dbraw/zinc/38/49/52/384384952.db2.gz UBFKHFTWBVBXLD-UWVGGRQHSA-N 2 1 235.335 1.095 20 0 BDADMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000647513824 384427757 /nfs/dbraw/zinc/42/77/57/384427757.db2.gz HRUIEVFYUIXYBO-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H](O)C[N@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000647514127 384432110 /nfs/dbraw/zinc/43/21/10/384432110.db2.gz NMEWSUUVQUAAGO-GFCCVEGCSA-N 2 1 236.359 1.607 20 0 BDADMP C[C@@H](O)C[N@@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000647514127 384432118 /nfs/dbraw/zinc/43/21/18/384432118.db2.gz NMEWSUUVQUAAGO-GFCCVEGCSA-N 2 1 236.359 1.607 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000276205710 384438769 /nfs/dbraw/zinc/43/87/69/384438769.db2.gz AEUHDKKBFTXLDK-CMPLNLGQSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H](CCO)C2)CC[NH2+]C1 ZINC000647515910 384461597 /nfs/dbraw/zinc/46/15/97/384461597.db2.gz ZTZLPFHYKMVAOP-CHWSQXEVSA-N 2 1 226.364 1.080 20 0 BDADMP C[C@@H]1OCC[N@@H+](CCC2CC[NH2+]CC2)[C@H]1C ZINC000335663076 384472988 /nfs/dbraw/zinc/47/29/88/384472988.db2.gz LFPMDVKKJPZGNC-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H]1CC[C@@H](C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000136184984 384485762 /nfs/dbraw/zinc/48/57/62/384485762.db2.gz AMILAOBJIQSWRT-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCSC1 ZINC000224622367 384480504 /nfs/dbraw/zinc/48/05/04/384480504.db2.gz AVZOJQYGYCJSHS-OUAUKWLOSA-N 2 1 214.378 1.409 20 0 BDADMP CCC[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000037482597 384502944 /nfs/dbraw/zinc/50/29/44/384502944.db2.gz WCPKGDAOTKCLPH-LBPRGKRZSA-N 2 1 213.369 1.012 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000353562960 384531762 /nfs/dbraw/zinc/53/17/62/384531762.db2.gz CVCSRHHNYLDSAL-MGPQQGTHSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353562960 384531769 /nfs/dbraw/zinc/53/17/69/384531769.db2.gz CVCSRHHNYLDSAL-MGPQQGTHSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353562960 384531777 /nfs/dbraw/zinc/53/17/77/384531777.db2.gz CVCSRHHNYLDSAL-MGPQQGTHSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000353562959 384532496 /nfs/dbraw/zinc/53/24/96/384532496.db2.gz CVCSRHHNYLDSAL-MCIONIFRSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353562959 384532501 /nfs/dbraw/zinc/53/25/01/384532501.db2.gz CVCSRHHNYLDSAL-MCIONIFRSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353562959 384532503 /nfs/dbraw/zinc/53/25/03/384532503.db2.gz CVCSRHHNYLDSAL-MCIONIFRSA-N 2 1 241.423 1.787 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000151143305 384541802 /nfs/dbraw/zinc/54/18/02/384541802.db2.gz YGXYBQFRVCBFAV-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000397398276 384553800 /nfs/dbraw/zinc/55/38/00/384553800.db2.gz QCCGCCMZOSSHIC-MXWKQRLJSA-N 2 1 239.388 1.948 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cncs2)C[C@@H]1C[NH3+] ZINC000397398276 384553805 /nfs/dbraw/zinc/55/38/05/384553805.db2.gz QCCGCCMZOSSHIC-MXWKQRLJSA-N 2 1 239.388 1.948 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccnc1 ZINC000019905714 384556096 /nfs/dbraw/zinc/55/60/96/384556096.db2.gz NZVMXSDHDSMZCH-UHFFFAOYSA-N 2 1 221.348 1.759 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643058136 384562058 /nfs/dbraw/zinc/56/20/58/384562058.db2.gz FVGNVJVGFQPPCC-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+](CCOCC[NH3+])Cc1cc(F)ccc1F ZINC000306052632 384568290 /nfs/dbraw/zinc/56/82/90/384568290.db2.gz UJTOTYKBSBNKCT-UHFFFAOYSA-N 2 1 244.285 1.372 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cc(F)ccc1F ZINC000306052632 384568296 /nfs/dbraw/zinc/56/82/96/384568296.db2.gz UJTOTYKBSBNKCT-UHFFFAOYSA-N 2 1 244.285 1.372 20 0 BDADMP CN1CCC([NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000184135643 384573264 /nfs/dbraw/zinc/57/32/64/384573264.db2.gz MKAAPCRLXWDYMB-UHFFFAOYSA-N 2 1 238.306 1.715 20 0 BDADMP CCCC(CCC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309863317 384676290 /nfs/dbraw/zinc/67/62/90/384676290.db2.gz NMWHGVWZAQHWKL-ZDUSSCGKSA-N 2 1 228.380 1.611 20 0 BDADMP CCCC(CCC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309863317 384676296 /nfs/dbraw/zinc/67/62/96/384676296.db2.gz NMWHGVWZAQHWKL-ZDUSSCGKSA-N 2 1 228.380 1.611 20 0 BDADMP c1csc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000566473146 384668355 /nfs/dbraw/zinc/66/83/55/384668355.db2.gz HBQISNCIMMYKTM-UHFFFAOYSA-N 2 1 210.346 1.934 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000647538658 384672200 /nfs/dbraw/zinc/67/22/00/384672200.db2.gz ARVLMBPKAFCUJD-GFCCVEGCSA-N 2 1 226.364 1.472 20 0 BDADMP c1ccc2[nH+]c(NC[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000043220287 384644751 /nfs/dbraw/zinc/64/47/51/384644751.db2.gz LXCASYTXQDGKPP-JTQLQIEISA-N 2 1 230.315 1.974 20 0 BDADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC23CC3)CC1 ZINC000335250296 384679997 /nfs/dbraw/zinc/67/99/97/384679997.db2.gz UZFRQYVFIBQMGN-GFCCVEGCSA-N 2 1 206.333 1.755 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300362996 384697002 /nfs/dbraw/zinc/69/70/02/384697002.db2.gz DHJZECHXPNMWAW-XQQFMLRXSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@H](C)[NH3+] ZINC000449606520 384701261 /nfs/dbraw/zinc/70/12/61/384701261.db2.gz YXUFZVXCNUDFLZ-LOWVWBTDSA-N 2 1 249.358 1.141 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000647542730 384703623 /nfs/dbraw/zinc/70/36/23/384703623.db2.gz AXWMETNRWZLWHF-OLZOCXBDSA-N 2 1 248.374 1.621 20 0 BDADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccs1 ZINC000125904327 384719097 /nfs/dbraw/zinc/71/90/97/384719097.db2.gz JZNRIPKUPJQKQE-LLVKDONJSA-N 2 1 228.361 1.150 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449094433 384720423 /nfs/dbraw/zinc/72/04/23/384720423.db2.gz RXROJPXUDDMRNB-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300697962 384728739 /nfs/dbraw/zinc/72/87/39/384728739.db2.gz FTQQWKNBHRXNOX-LEWSCRJBSA-N 2 1 234.343 1.882 20 0 BDADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000647546233 384729776 /nfs/dbraw/zinc/72/97/76/384729776.db2.gz GEWQWGFMUPTGCZ-XJFOESAGSA-N 3 1 237.391 1.106 20 0 BDADMP CC[C@@H](CCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336664698 384745651 /nfs/dbraw/zinc/74/56/51/384745651.db2.gz PHSLEXDPIGUIBP-NSHDSACASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000647552181 384756930 /nfs/dbraw/zinc/75/69/30/384756930.db2.gz KUTVMDKFYZJYQG-NQBHXWOUSA-N 2 1 248.374 1.299 20 0 BDADMP [NH3+]Cc1ccc(CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000647553245 384768533 /nfs/dbraw/zinc/76/85/33/384768533.db2.gz MGPATAZQHFOBQR-AWEZNQCLSA-N 2 1 233.359 1.235 20 0 BDADMP Cc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)nn1C ZINC000647553174 384769213 /nfs/dbraw/zinc/76/92/13/384769213.db2.gz FVQLVPWAHZLWML-UHFFFAOYSA-N 2 1 244.342 1.477 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)O1 ZINC000398160465 384821960 /nfs/dbraw/zinc/82/19/60/384821960.db2.gz VVIVFYSOCAKMKF-DHGKCCLASA-N 2 1 240.391 1.872 20 0 BDADMP C[N@H+](CCC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000106164553 384832668 /nfs/dbraw/zinc/83/26/68/384832668.db2.gz IAAWATZMOULPTG-LLVKDONJSA-N 2 1 236.315 1.107 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000106164553 384832676 /nfs/dbraw/zinc/83/26/76/384832676.db2.gz IAAWATZMOULPTG-LLVKDONJSA-N 2 1 236.315 1.107 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000107766809 384784811 /nfs/dbraw/zinc/78/48/11/384784811.db2.gz NNSBWOVMUHIICZ-LLVKDONJSA-N 2 1 238.331 1.531 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000306617094 384787553 /nfs/dbraw/zinc/78/75/53/384787553.db2.gz QRKAZHKPMHMOIS-AXFHLTTASA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000397331971 384798115 /nfs/dbraw/zinc/79/81/15/384798115.db2.gz RHHZQBMFDJUKJK-VOAKCMCISA-N 2 1 226.364 1.328 20 0 BDADMP C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423329119 384807104 /nfs/dbraw/zinc/80/71/04/384807104.db2.gz ONTCNTMWCFBINT-YUELXQCFSA-N 2 1 247.386 1.759 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccn(C)c1 ZINC000127251875 384878355 /nfs/dbraw/zinc/87/83/55/384878355.db2.gz YRHLHYRWQYQROO-UHFFFAOYSA-N 2 1 223.364 1.845 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccn(C)c1 ZINC000127251875 384878360 /nfs/dbraw/zinc/87/83/60/384878360.db2.gz YRHLHYRWQYQROO-UHFFFAOYSA-N 2 1 223.364 1.845 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000310106003 384842922 /nfs/dbraw/zinc/84/29/22/384842922.db2.gz ALMMEZIOIBDKDT-NSHDSACASA-N 2 1 240.322 1.874 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000310106003 384842929 /nfs/dbraw/zinc/84/29/29/384842929.db2.gz ALMMEZIOIBDKDT-NSHDSACASA-N 2 1 240.322 1.874 20 0 BDADMP CCCc1[nH+]ccn1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310126678 384845991 /nfs/dbraw/zinc/84/59/91/384845991.db2.gz WTHPXCWSXBVNEN-LBPRGKRZSA-N 2 1 237.347 1.291 20 0 BDADMP CCCc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310126678 384846000 /nfs/dbraw/zinc/84/60/00/384846000.db2.gz WTHPXCWSXBVNEN-LBPRGKRZSA-N 2 1 237.347 1.291 20 0 BDADMP c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000054788122 384854702 /nfs/dbraw/zinc/85/47/02/384854702.db2.gz NATVKXBJELBRCB-JTQLQIEISA-N 2 1 237.372 1.717 20 0 BDADMP c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000054788122 384854705 /nfs/dbraw/zinc/85/47/05/384854705.db2.gz NATVKXBJELBRCB-JTQLQIEISA-N 2 1 237.372 1.717 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000310191862 384891899 /nfs/dbraw/zinc/89/18/99/384891899.db2.gz YWWIRAVTNKDCHL-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000310191862 384891907 /nfs/dbraw/zinc/89/19/07/384891907.db2.gz YWWIRAVTNKDCHL-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000310191862 384891913 /nfs/dbraw/zinc/89/19/13/384891913.db2.gz YWWIRAVTNKDCHL-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC[NH2+]CC1 ZINC000336266206 384903669 /nfs/dbraw/zinc/90/36/69/384903669.db2.gz ICVFAHLXLMMSMJ-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC[NH2+]CC1 ZINC000336266206 384903675 /nfs/dbraw/zinc/90/36/75/384903675.db2.gz ICVFAHLXLMMSMJ-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310233946 384917025 /nfs/dbraw/zinc/91/70/25/384917025.db2.gz HXVSXRJRDRGCDB-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000306016297 384919251 /nfs/dbraw/zinc/91/92/51/384919251.db2.gz RYPDKCRVIWFVOZ-MCIONIFRSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000366598783 384924472 /nfs/dbraw/zinc/92/44/72/384924472.db2.gz SVYPSCFLXWIDKJ-QNMSZWNNSA-N 2 1 240.391 1.560 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000257771795 384928424 /nfs/dbraw/zinc/92/84/24/384928424.db2.gz NUDXLNCMMHYRMG-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000566230501 384966044 /nfs/dbraw/zinc/96/60/44/384966044.db2.gz HVQIVWQHFIMPOO-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000530651072 385006496 /nfs/dbraw/zinc/00/64/96/385006496.db2.gz CAPULXCIDFVFMB-JTQLQIEISA-N 2 1 248.330 1.038 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC000530651072 385006513 /nfs/dbraw/zinc/00/65/13/385006513.db2.gz CAPULXCIDFVFMB-JTQLQIEISA-N 2 1 248.330 1.038 20 0 BDADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC000530651072 385006514 /nfs/dbraw/zinc/00/65/14/385006514.db2.gz CAPULXCIDFVFMB-JTQLQIEISA-N 2 1 248.330 1.038 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000310367240 385008795 /nfs/dbraw/zinc/00/87/95/385008795.db2.gz WNBJQRLDPRZVHT-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1ccncc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226447244 385018918 /nfs/dbraw/zinc/01/89/18/385018918.db2.gz GTLLABBTZXUJPH-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1ccncc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226447244 385018921 /nfs/dbraw/zinc/01/89/21/385018921.db2.gz GTLLABBTZXUJPH-CQSZACIVSA-N 2 1 233.359 1.964 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CCCN(C)C ZINC000336678069 385072959 /nfs/dbraw/zinc/07/29/59/385072959.db2.gz DQRXAUXDGCDURV-NSHDSACASA-N 2 1 201.358 1.045 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000234946730 385038976 /nfs/dbraw/zinc/03/89/76/385038976.db2.gz AHHBSVPNXWQXSU-ZANVPECISA-N 2 1 235.331 1.178 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310536681 385110844 /nfs/dbraw/zinc/11/08/44/385110844.db2.gz RLFHAYQBMCWSJB-MJBXVCDLSA-N 2 1 240.391 1.718 20 0 BDADMP COC(C[N@H+](C)CCCn1cc[nH+]c1C)OC ZINC000189127409 385126866 /nfs/dbraw/zinc/12/68/66/385126866.db2.gz LHYWWMNGJRLFNV-UHFFFAOYSA-N 2 1 241.335 1.132 20 0 BDADMP COC(C[N@@H+](C)CCCn1cc[nH+]c1C)OC ZINC000189127409 385126873 /nfs/dbraw/zinc/12/68/73/385126873.db2.gz LHYWWMNGJRLFNV-UHFFFAOYSA-N 2 1 241.335 1.132 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC000306557818 385089217 /nfs/dbraw/zinc/08/92/17/385089217.db2.gz JLTWNSHHLRJZOK-KOLCDFICSA-N 2 1 200.301 1.561 20 0 BDADMP CCN(CC)C[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422710488 385193583 /nfs/dbraw/zinc/19/35/83/385193583.db2.gz FXRATIZSCSLZHE-TUAOUCFPSA-N 2 1 215.385 1.432 20 0 BDADMP Cc1ccncc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227423948 385142969 /nfs/dbraw/zinc/14/29/69/385142969.db2.gz LEDYLPMGEMEOQK-QWHCGFSZSA-N 2 1 233.359 1.949 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000045107895 385245806 /nfs/dbraw/zinc/24/58/06/385245806.db2.gz MJCCCHNWIOXSDQ-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@@H](C)[NH2+]C2CC2)n1 ZINC000564958926 385246839 /nfs/dbraw/zinc/24/68/39/385246839.db2.gz PKWRLJYMAGYLJB-JGVFFNPUSA-N 2 1 224.308 1.033 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000154258481 385312427 /nfs/dbraw/zinc/31/24/27/385312427.db2.gz BIXZCCIVSOGIAA-FIQHERPVSA-N 2 1 246.420 1.029 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000154258481 385312431 /nfs/dbraw/zinc/31/24/31/385312431.db2.gz BIXZCCIVSOGIAA-FIQHERPVSA-N 2 1 246.420 1.029 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCCF)C[C@@H]12 ZINC000308961731 385313801 /nfs/dbraw/zinc/31/38/01/385313801.db2.gz GMLLFCKMFCJRQX-IJLUTSLNSA-N 2 1 214.328 1.795 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]12 ZINC000308961735 385314073 /nfs/dbraw/zinc/31/40/73/385314073.db2.gz GMLLFCKMFCJRQX-SDDRHHMPSA-N 2 1 214.328 1.795 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCCF)C[C@@H]12 ZINC000308961733 385314302 /nfs/dbraw/zinc/31/43/02/385314302.db2.gz GMLLFCKMFCJRQX-QJPTWQEYSA-N 2 1 214.328 1.795 20 0 BDADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000220671342 385262670 /nfs/dbraw/zinc/26/26/70/385262670.db2.gz ZCRQHPCJGOJUFS-NXEZZACHSA-N 2 1 200.351 1.224 20 0 BDADMP COCC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316500510 385296424 /nfs/dbraw/zinc/29/64/24/385296424.db2.gz ZHIXQJYRQGDNID-VWYCJHECSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316500510 385296428 /nfs/dbraw/zinc/29/64/28/385296428.db2.gz ZHIXQJYRQGDNID-VWYCJHECSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21)C1CC1 ZINC000425455239 385337489 /nfs/dbraw/zinc/33/74/89/385337489.db2.gz HPZBJNROEZEAKL-FPMFFAJLSA-N 2 1 238.375 1.437 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000390505881 385353347 /nfs/dbraw/zinc/35/33/47/385353347.db2.gz WNLJOGFLWJCUCX-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC(C)(C)C1 ZINC000390505881 385353353 /nfs/dbraw/zinc/35/33/53/385353353.db2.gz WNLJOGFLWJCUCX-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000390505881 385353372 /nfs/dbraw/zinc/35/33/72/385353372.db2.gz WNLJOGFLWJCUCX-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP COC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000180195556 385384969 /nfs/dbraw/zinc/38/49/69/385384969.db2.gz VCEHBRZGTIQUMB-QWHCGFSZSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])O1 ZINC000299993557 385388403 /nfs/dbraw/zinc/38/84/03/385388403.db2.gz JRORNZVNPKAETQ-VOAKCMCISA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])O1 ZINC000299993557 385388404 /nfs/dbraw/zinc/38/84/04/385388404.db2.gz JRORNZVNPKAETQ-VOAKCMCISA-N 2 1 226.364 1.613 20 0 BDADMP Nc1c(F)cccc1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000156369409 385449503 /nfs/dbraw/zinc/44/95/03/385449503.db2.gz SYVOBPBXPMPUMX-NSHDSACASA-N 2 1 249.333 1.734 20 0 BDADMP Nc1c(F)cccc1CN[C@H]1CC[N@H+](C2CC2)C1 ZINC000156369409 385449506 /nfs/dbraw/zinc/44/95/06/385449506.db2.gz SYVOBPBXPMPUMX-NSHDSACASA-N 2 1 249.333 1.734 20 0 BDADMP CO[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000182213287 385434460 /nfs/dbraw/zinc/43/44/60/385434460.db2.gz DIMRCJPPWALXQW-IJLUTSLNSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000182213287 385434464 /nfs/dbraw/zinc/43/44/64/385434464.db2.gz DIMRCJPPWALXQW-IJLUTSLNSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182213287 385434466 /nfs/dbraw/zinc/43/44/66/385434466.db2.gz DIMRCJPPWALXQW-IJLUTSLNSA-N 2 1 214.353 1.436 20 0 BDADMP CO[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182213287 385434469 /nfs/dbraw/zinc/43/44/69/385434469.db2.gz DIMRCJPPWALXQW-IJLUTSLNSA-N 2 1 214.353 1.436 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC000182201263 385434690 /nfs/dbraw/zinc/43/46/90/385434690.db2.gz KDEOJENJJJVKTD-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP Cn1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257660808 385488490 /nfs/dbraw/zinc/48/84/90/385488490.db2.gz GFHLCVYRCZBDON-ZDUSSCGKSA-N 2 1 219.332 1.211 20 0 BDADMP Cc1nc(NC[C@H]2CCCC[NH2+]2)c(C)c(C)[nH+]1 ZINC000642996038 385494024 /nfs/dbraw/zinc/49/40/24/385494024.db2.gz AXORXHLLGMLJKW-GFCCVEGCSA-N 2 1 234.347 1.378 20 0 BDADMP CC(C)C[C@H](C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309324248 385530718 /nfs/dbraw/zinc/53/07/18/385530718.db2.gz FYFWHBJWACJRSG-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)C[C@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309324248 385530722 /nfs/dbraw/zinc/53/07/22/385530722.db2.gz FYFWHBJWACJRSG-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP COC1(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)CCCC1 ZINC000318914365 385522930 /nfs/dbraw/zinc/52/29/30/385522930.db2.gz BZXYENVVHZJDCY-QWRGUYRKSA-N 2 1 212.337 1.367 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643032562 385527452 /nfs/dbraw/zinc/52/74/52/385527452.db2.gz DWZBJOUMZDJLBL-GXSJLCMTSA-N 2 1 237.734 1.923 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000309353419 385549414 /nfs/dbraw/zinc/54/94/14/385549414.db2.gz NOIVQXISNMBDQG-LLVKDONJSA-N 3 1 227.396 1.434 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CCCN1CCCCC1 ZINC000309396117 385561578 /nfs/dbraw/zinc/56/15/78/385561578.db2.gz IKYXNSQVGIWZHX-ZDUSSCGKSA-N 2 1 227.396 1.579 20 0 BDADMP CCc1nc(N2CCC([NH+](C)C)CC2)cc(C)[nH+]1 ZINC000339968428 385596907 /nfs/dbraw/zinc/59/69/07/385596907.db2.gz BDPJBVIINUWHCH-UHFFFAOYSA-N 2 1 248.374 1.878 20 0 BDADMP CCOC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000309479125 385605018 /nfs/dbraw/zinc/60/50/18/385605018.db2.gz SNOZQQJNQNYCTM-LLVKDONJSA-N 2 1 225.336 1.596 20 0 BDADMP CC[N@H+](CC[NH2+]C1CCC(O)CC1)C(C)C ZINC000309452573 385584999 /nfs/dbraw/zinc/58/49/99/385584999.db2.gz LNPVYXKRXWQTTI-UHFFFAOYSA-N 2 1 228.380 1.610 20 0 BDADMP CC[N@@H+](CC[NH2+]C1CCC(O)CC1)C(C)C ZINC000309452573 385585001 /nfs/dbraw/zinc/58/50/01/385585001.db2.gz LNPVYXKRXWQTTI-UHFFFAOYSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCSCC1 ZINC000307082266 385654177 /nfs/dbraw/zinc/65/41/77/385654177.db2.gz HKAGCSRXNXVDMN-GXSJLCMTSA-N 2 1 214.378 1.612 20 0 BDADMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H](O)C[NH3+] ZINC000336734106 385655126 /nfs/dbraw/zinc/65/51/26/385655126.db2.gz HDHWHIHUAJZSOF-SECBINFHSA-N 2 1 246.713 1.231 20 0 BDADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H](O)C[NH3+] ZINC000336734106 385655130 /nfs/dbraw/zinc/65/51/30/385655130.db2.gz HDHWHIHUAJZSOF-SECBINFHSA-N 2 1 246.713 1.231 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853412 385689142 /nfs/dbraw/zinc/68/91/42/385689142.db2.gz SINIOBBQZSYJCN-YPMHNXCESA-N 2 1 228.380 1.909 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000128524941 385729192 /nfs/dbraw/zinc/72/91/92/385729192.db2.gz RTSHKKDBNHYXKO-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414859679 385736683 /nfs/dbraw/zinc/73/66/83/385736683.db2.gz URUPQHDWLJUKDD-MJBXVCDLSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414859679 385736685 /nfs/dbraw/zinc/73/66/85/385736685.db2.gz URUPQHDWLJUKDD-MJBXVCDLSA-N 3 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000414859679 385736688 /nfs/dbraw/zinc/73/66/88/385736688.db2.gz URUPQHDWLJUKDD-MJBXVCDLSA-N 3 1 239.407 1.306 20 0 BDADMP COc1cc(C)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000648385181 385744767 /nfs/dbraw/zinc/74/47/67/385744767.db2.gz GURSUOLQIJEZGV-ZIAGYGMSSA-N 2 1 246.354 1.655 20 0 BDADMP c1cn(CC[N@H+]2CCO[C@H]3CCC[C@H]32)cn1 ZINC000270844495 385750836 /nfs/dbraw/zinc/75/08/36/385750836.db2.gz OGSPDEFYIWYDPO-NEPJUHHUSA-N 2 1 221.304 1.136 20 0 BDADMP c1cn(CC[N@H+]2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000270844501 385751567 /nfs/dbraw/zinc/75/15/67/385751567.db2.gz OGSPDEFYIWYDPO-RYUDHWBXSA-N 2 1 221.304 1.136 20 0 BDADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[NH2+]C2)cn1 ZINC000414864389 385765897 /nfs/dbraw/zinc/76/58/97/385765897.db2.gz JZRYXKGLSXNIOF-CQSZACIVSA-N 2 1 233.359 1.664 20 0 BDADMP C[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309648204 385768340 /nfs/dbraw/zinc/76/83/40/385768340.db2.gz MZPKXGUHUDYNGI-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309648204 385768344 /nfs/dbraw/zinc/76/83/44/385768344.db2.gz MZPKXGUHUDYNGI-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309648204 385768348 /nfs/dbraw/zinc/76/83/48/385768348.db2.gz MZPKXGUHUDYNGI-JHJVBQTASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856852 385719541 /nfs/dbraw/zinc/71/95/41/385719541.db2.gz AZCDGWLRBFNPGZ-TZMCWYRMSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C1CC1)C1(C)CC1 ZINC000336690698 385721175 /nfs/dbraw/zinc/72/11/75/385721175.db2.gz HISOJBCKKNMVOV-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)C1(C)CC1 ZINC000336690698 385721178 /nfs/dbraw/zinc/72/11/78/385721178.db2.gz HISOJBCKKNMVOV-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C1CC1)C1(C)CC1 ZINC000336690698 385721181 /nfs/dbraw/zinc/72/11/81/385721181.db2.gz HISOJBCKKNMVOV-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C1CC1)C1(C)CC1 ZINC000336690698 385721184 /nfs/dbraw/zinc/72/11/84/385721184.db2.gz HISOJBCKKNMVOV-YPMHNXCESA-N 2 1 240.391 1.562 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291696875 385726917 /nfs/dbraw/zinc/72/69/17/385726917.db2.gz JSOTXUDNTXROBU-VIFPVBQESA-N 2 1 210.325 1.005 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)CC(F)F ZINC000647800742 385808704 /nfs/dbraw/zinc/80/87/04/385808704.db2.gz JPWNTNOZTSXNJS-IVZWLZJFSA-N 2 1 220.307 1.865 20 0 BDADMP Cc1ccc(O)c(C[NH2+]C2(C)CC[NH2+]CC2)n1 ZINC000414946655 385809170 /nfs/dbraw/zinc/80/91/70/385809170.db2.gz UPSBVJBXGAIXKC-UHFFFAOYSA-N 2 1 235.331 1.327 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000186946738 385816482 /nfs/dbraw/zinc/81/64/82/385816482.db2.gz FOOXSFOPTQIELE-UPJWGTAASA-N 2 1 224.348 1.238 20 0 BDADMP C[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000261641721 385827832 /nfs/dbraw/zinc/82/78/32/385827832.db2.gz DIJKUQQPWKAZPY-DGCLKSJQSA-N 2 1 249.358 1.013 20 0 BDADMP Cn1cncc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000112339436 385839418 /nfs/dbraw/zinc/83/94/18/385839418.db2.gz FAXXSXVNXMMIIN-UHFFFAOYSA-N 2 1 236.363 1.386 20 0 BDADMP C[C@H]1SCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000647804781 385839820 /nfs/dbraw/zinc/83/98/20/385839820.db2.gz YPTKQTIUDPWKRC-ZNSHCXBVSA-N 2 1 214.378 1.468 20 0 BDADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000414871765 385858800 /nfs/dbraw/zinc/85/88/00/385858800.db2.gz OLAWCXQWWRGZAF-STQMWFEESA-N 2 1 227.396 1.306 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)n1 ZINC000414961902 385886962 /nfs/dbraw/zinc/88/69/62/385886962.db2.gz RWSFZVBIPVLQTM-WCQYABFASA-N 2 1 249.358 1.568 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCSC1 ZINC000273667438 385891279 /nfs/dbraw/zinc/89/12/79/385891279.db2.gz YXXBJAVGWYJQNK-LLVKDONJSA-N 2 1 237.372 1.743 20 0 BDADMP Cc1cc(N2CC[C@H]([NH+](C)C)[C@H]2C)nc(C)[nH+]1 ZINC000647843711 385893384 /nfs/dbraw/zinc/89/33/84/385893384.db2.gz BTABJIHHFYUQEQ-PWSUYJOCSA-N 2 1 234.347 1.622 20 0 BDADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CCC[NH3+] ZINC000647848388 385898681 /nfs/dbraw/zinc/89/86/81/385898681.db2.gz PDXUBSTVYAYIAI-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)N(C(=O)[C@H](C)[N@H+](C)CCC[NH3+])C(C)C ZINC000647849462 385900137 /nfs/dbraw/zinc/90/01/37/385900137.db2.gz UWMPHKTYGLINEK-LBPRGKRZSA-N 2 1 243.395 1.301 20 0 BDADMP CC(C)N(C(=O)[C@H](C)[N@@H+](C)CCC[NH3+])C(C)C ZINC000647849462 385900140 /nfs/dbraw/zinc/90/01/40/385900140.db2.gz UWMPHKTYGLINEK-LBPRGKRZSA-N 2 1 243.395 1.301 20 0 BDADMP CC(C)N(C(=O)[C@@H](C)[N@H+](C)CCC[NH3+])C(C)C ZINC000647849461 385900302 /nfs/dbraw/zinc/90/03/02/385900302.db2.gz UWMPHKTYGLINEK-GFCCVEGCSA-N 2 1 243.395 1.301 20 0 BDADMP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])C(C)C ZINC000647849461 385900306 /nfs/dbraw/zinc/90/03/06/385900306.db2.gz UWMPHKTYGLINEK-GFCCVEGCSA-N 2 1 243.395 1.301 20 0 BDADMP CCOC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH3+])o1 ZINC000414875707 385901036 /nfs/dbraw/zinc/90/10/36/385901036.db2.gz KJQHSHZPAVSHJI-SECBINFHSA-N 2 1 240.303 1.141 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[NH2+]CC1(C)C ZINC000647852327 385902299 /nfs/dbraw/zinc/90/22/99/385902299.db2.gz WHPMLFZSXXWKAB-UHFFFAOYSA-N 2 1 236.363 1.265 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCOCC1 ZINC000122307302 385907547 /nfs/dbraw/zinc/90/75/47/385907547.db2.gz ZROPDWXAVBUZMA-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122363523 385912281 /nfs/dbraw/zinc/91/22/81/385912281.db2.gz JYSOKKVUVOIJRY-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP COc1cc(C)nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000250946044 385929732 /nfs/dbraw/zinc/92/97/32/385929732.db2.gz CELOWKWFACEFIZ-VXGBXAGGSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)nc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000250946044 385929735 /nfs/dbraw/zinc/92/97/35/385929735.db2.gz CELOWKWFACEFIZ-VXGBXAGGSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000250946044 385929737 /nfs/dbraw/zinc/92/97/37/385929737.db2.gz CELOWKWFACEFIZ-VXGBXAGGSA-N 2 1 249.358 1.568 20 0 BDADMP C[C@H]([NH2+]C1CC(C)C1)c1c[nH+]ccc1N ZINC000335034024 385923195 /nfs/dbraw/zinc/92/31/95/385923195.db2.gz SSLNFXSKSGLTBD-KYHHOPLUSA-N 2 1 205.305 1.943 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000342098413 385926293 /nfs/dbraw/zinc/92/62/93/385926293.db2.gz IHDKJKQWHYEEPL-YIYPIFLZSA-N 3 1 237.391 1.045 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000335038164 385927687 /nfs/dbraw/zinc/92/76/87/385927687.db2.gz HFOMNLTXXYOUCZ-NEPJUHHUSA-N 2 1 226.364 1.391 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@@H](C)C[NH3+])n1 ZINC000414873531 385877777 /nfs/dbraw/zinc/87/77/77/385877777.db2.gz HLJLFZPTCIHARV-JTQLQIEISA-N 2 1 223.320 1.165 20 0 BDADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)[C@H]1CCCCO1 ZINC000335017311 385975269 /nfs/dbraw/zinc/97/52/69/385975269.db2.gz HZYABUZJYZTGQV-CYBMUJFWSA-N 2 1 238.375 1.774 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1N(C)C ZINC000414972148 385982246 /nfs/dbraw/zinc/98/22/46/385982246.db2.gz ACBKIZURQGADOX-GFCCVEGCSA-N 2 1 221.348 1.580 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000425399845 385949808 /nfs/dbraw/zinc/94/98/08/385949808.db2.gz FDGKFPTYVTURIR-DGCLKSJQSA-N 2 1 226.364 1.295 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000338304735 385951923 /nfs/dbraw/zinc/95/19/23/385951923.db2.gz HKSZJMHPXDWCAF-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)C1CC(O)C1 ZINC000338299111 385960127 /nfs/dbraw/zinc/96/01/27/385960127.db2.gz XGJLDGLMAMQVFY-UHFFFAOYSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C1CC(O)C1 ZINC000338299111 385960130 /nfs/dbraw/zinc/96/01/30/385960130.db2.gz XGJLDGLMAMQVFY-UHFFFAOYSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCOC1 ZINC000338309489 385962434 /nfs/dbraw/zinc/96/24/34/385962434.db2.gz VKZZHTDSUTXHBI-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCOC1 ZINC000338309489 385962439 /nfs/dbraw/zinc/96/24/39/385962439.db2.gz VKZZHTDSUTXHBI-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000414970876 385967928 /nfs/dbraw/zinc/96/79/28/385967928.db2.gz HEMOWCAADGYDQJ-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@H]1C ZINC000414109803 385968633 /nfs/dbraw/zinc/96/86/33/385968633.db2.gz HNFMELMKNQPRJJ-JHJVBQTASA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414971731 385975128 /nfs/dbraw/zinc/97/51/28/385975128.db2.gz IYUITXYZPAYDDI-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCCC1 ZINC000309504242 386011753 /nfs/dbraw/zinc/01/17/53/386011753.db2.gz MOAJWTLPQBCLRA-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000187999278 386013924 /nfs/dbraw/zinc/01/39/24/386013924.db2.gz DXELBUAGDJOCIW-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414883569 386025508 /nfs/dbraw/zinc/02/55/08/386025508.db2.gz NKVPDBYRICBXSL-MJBXVCDLSA-N 2 1 216.328 1.742 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CCOC)[C@H](C)C1 ZINC000414192878 386032360 /nfs/dbraw/zinc/03/23/60/386032360.db2.gz HVIXDMZCTMQPJR-MCIONIFRSA-N 2 1 242.407 1.979 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414201739 386038664 /nfs/dbraw/zinc/03/86/64/386038664.db2.gz YLNHWPIRVSFHAH-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP C[NH2+][C@H](C)C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414980239 386052663 /nfs/dbraw/zinc/05/26/63/386052663.db2.gz WBUIVELZWUETOZ-VXGBXAGGSA-N 2 1 228.380 1.637 20 0 BDADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295239985 385995851 /nfs/dbraw/zinc/99/58/51/385995851.db2.gz SPMFEYNUHOYVFN-QWRGUYRKSA-N 2 1 247.342 1.106 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000334453713 386101134 /nfs/dbraw/zinc/10/11/34/386101134.db2.gz UIAWJPJEROUDGL-JTQLQIEISA-N 2 1 231.303 1.088 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666728 386111528 /nfs/dbraw/zinc/11/15/28/386111528.db2.gz XFCZHWSMNZFQTK-LPWJVIDDSA-N 3 1 225.380 1.044 20 0 BDADMP Cc1cnccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000295973715 386117207 /nfs/dbraw/zinc/11/72/07/386117207.db2.gz IUAALAVSUWEYEC-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cnccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000295973715 386117216 /nfs/dbraw/zinc/11/72/16/386117216.db2.gz IUAALAVSUWEYEC-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000295973715 386117223 /nfs/dbraw/zinc/11/72/23/386117223.db2.gz IUAALAVSUWEYEC-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000295973715 386117231 /nfs/dbraw/zinc/11/72/31/386117231.db2.gz IUAALAVSUWEYEC-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000414665790 386117715 /nfs/dbraw/zinc/11/77/15/386117715.db2.gz FSXVTXWWVQQYBO-WCQYABFASA-N 3 1 227.396 1.419 20 0 BDADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(O)c1 ZINC000038041402 386119001 /nfs/dbraw/zinc/11/90/01/386119001.db2.gz FTBULMIDFRZUQN-JTQLQIEISA-N 2 1 220.316 1.795 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](CCO)C2CCCC2)CC[NH2+]1 ZINC000414667168 386120235 /nfs/dbraw/zinc/12/02/35/386120235.db2.gz HAUDWLLSKQLXGV-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414980964 386059017 /nfs/dbraw/zinc/05/90/17/386059017.db2.gz XMVVQDYVNWRGBL-GFCCVEGCSA-N 2 1 222.336 1.340 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000189671483 386059591 /nfs/dbraw/zinc/05/95/91/386059591.db2.gz VJBQEEIQVLEXDQ-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(CO)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000189671483 386059595 /nfs/dbraw/zinc/05/95/95/386059595.db2.gz VJBQEEIQVLEXDQ-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@]1(CO)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000189671483 386059599 /nfs/dbraw/zinc/05/95/99/386059599.db2.gz VJBQEEIQVLEXDQ-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H](N)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648774 386064330 /nfs/dbraw/zinc/06/43/30/386064330.db2.gz BKOGQHNLHCOEAR-SYQHCUMBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648774 386064336 /nfs/dbraw/zinc/06/43/36/386064336.db2.gz BKOGQHNLHCOEAR-SYQHCUMBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C ZINC000608088726 386068207 /nfs/dbraw/zinc/06/82/07/386068207.db2.gz ONEVBXCOTUMVEA-ZJUUUORDSA-N 2 1 245.330 1.853 20 0 BDADMP C[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1C ZINC000608088726 386068211 /nfs/dbraw/zinc/06/82/11/386068211.db2.gz ONEVBXCOTUMVEA-ZJUUUORDSA-N 2 1 245.330 1.853 20 0 BDADMP C[C@H]1NCC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000647941192 386080202 /nfs/dbraw/zinc/08/02/02/386080202.db2.gz CKDDCMBCZUPEOB-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1NCC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000647941192 386080209 /nfs/dbraw/zinc/08/02/09/386080209.db2.gz CKDDCMBCZUPEOB-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP COCC[N@@H+](C)CCCNCc1ccoc1C ZINC000414263900 386085122 /nfs/dbraw/zinc/08/51/22/386085122.db2.gz FNWJBQITBJGVAW-UHFFFAOYSA-N 2 1 240.347 1.646 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccoc1C ZINC000414263900 386085135 /nfs/dbraw/zinc/08/51/35/386085135.db2.gz FNWJBQITBJGVAW-UHFFFAOYSA-N 2 1 240.347 1.646 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414657330 386086360 /nfs/dbraw/zinc/08/63/60/386086360.db2.gz HQLPRJHTQKPQBF-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)c1cnc(C[NH2+]C[C@@H](C)C[NH3+])s1 ZINC000414887188 386089776 /nfs/dbraw/zinc/08/97/76/386089776.db2.gz ZBATUEVSRPFGSS-VIFPVBQESA-N 2 1 227.377 1.951 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414660314 386091813 /nfs/dbraw/zinc/09/18/13/386091813.db2.gz MPJQHDPHTXRTCH-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414660314 386091821 /nfs/dbraw/zinc/09/18/21/386091821.db2.gz MPJQHDPHTXRTCH-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000414676376 386150878 /nfs/dbraw/zinc/15/08/78/386150878.db2.gz NEZXYDIWUDHEQX-QWHCGFSZSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235365314 386159918 /nfs/dbraw/zinc/15/99/18/386159918.db2.gz YTTYXAJJWPTPPX-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164635669 386170562 /nfs/dbraw/zinc/17/05/62/386170562.db2.gz LLHPGXSPCFPGKC-WUHRBBMRSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)CC[N@@H+]1C ZINC000310313685 386173376 /nfs/dbraw/zinc/17/33/76/386173376.db2.gz RKTZPJCLOVJKBQ-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)CC[N@H+]1C ZINC000310313685 386173380 /nfs/dbraw/zinc/17/33/80/386173380.db2.gz RKTZPJCLOVJKBQ-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP COc1ccc([C@@H](CO)[N@@H+](C)CCC[NH3+])cc1 ZINC000414693351 386187072 /nfs/dbraw/zinc/18/70/72/386187072.db2.gz LYEZIEHAQVKUGG-CYBMUJFWSA-N 2 1 238.331 1.009 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CC(OC(C)C)C1 ZINC000428086403 386187519 /nfs/dbraw/zinc/18/75/19/386187519.db2.gz VUWOIKNPQOJRNW-UHFFFAOYSA-N 2 1 237.347 1.737 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nn1C ZINC000414668164 386126737 /nfs/dbraw/zinc/12/67/37/386126737.db2.gz ZLSFUJWWTMYOPN-FPMFFAJLSA-N 2 1 248.374 1.288 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nn1C ZINC000414668164 386126745 /nfs/dbraw/zinc/12/67/45/386126745.db2.gz ZLSFUJWWTMYOPN-FPMFFAJLSA-N 2 1 248.374 1.288 20 0 BDADMP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)C(C)(C)C1 ZINC000414691943 386189483 /nfs/dbraw/zinc/18/94/83/386189483.db2.gz CFZPVSVSUBWEBJ-UHFFFAOYSA-N 2 1 227.396 1.401 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](C)(F)C1 ZINC000334470031 386141027 /nfs/dbraw/zinc/14/10/27/386141027.db2.gz FFIKDZLADRANMP-NSHDSACASA-N 2 1 211.284 1.625 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@](C)(F)C1 ZINC000334470031 386141031 /nfs/dbraw/zinc/14/10/31/386141031.db2.gz FFIKDZLADRANMP-NSHDSACASA-N 2 1 211.284 1.625 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414674858 386142809 /nfs/dbraw/zinc/14/28/09/386142809.db2.gz SGHWCVMTBJLHJC-QJPTWQEYSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414674858 386142813 /nfs/dbraw/zinc/14/28/13/386142813.db2.gz SGHWCVMTBJLHJC-QJPTWQEYSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414674858 386142817 /nfs/dbraw/zinc/14/28/17/386142817.db2.gz SGHWCVMTBJLHJC-QJPTWQEYSA-N 2 1 234.347 1.277 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414674858 386142822 /nfs/dbraw/zinc/14/28/22/386142822.db2.gz SGHWCVMTBJLHJC-QJPTWQEYSA-N 2 1 234.347 1.277 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCOC2CCC2)CCN1C ZINC000347052701 386206903 /nfs/dbraw/zinc/20/69/03/386206903.db2.gz KQBVEKUYLXGHQU-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCOC2CCC2)CC[N@@H+]1C ZINC000347052701 386206907 /nfs/dbraw/zinc/20/69/07/386206907.db2.gz KQBVEKUYLXGHQU-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCOC2CCC2)CC[N@H+]1C ZINC000347052701 386206911 /nfs/dbraw/zinc/20/69/11/386206911.db2.gz KQBVEKUYLXGHQU-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCOC2CCC2)CC[NH+]1C ZINC000347052701 386206916 /nfs/dbraw/zinc/20/69/16/386206916.db2.gz KQBVEKUYLXGHQU-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1cc([C@H]2CCC[N@@H+]2CCC[NH3+])on1 ZINC000414703023 386211500 /nfs/dbraw/zinc/21/15/00/386211500.db2.gz LFSYCUNCFOMVCL-SNVBAGLBSA-N 2 1 209.293 1.469 20 0 BDADMP Cc1cc([C@H]2CCC[N@H+]2CCC[NH3+])on1 ZINC000414703023 386211503 /nfs/dbraw/zinc/21/15/03/386211503.db2.gz LFSYCUNCFOMVCL-SNVBAGLBSA-N 2 1 209.293 1.469 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707274 386216852 /nfs/dbraw/zinc/21/68/52/386216852.db2.gz NLBBKVJQJJBVPA-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccncc1 ZINC000275606630 386225880 /nfs/dbraw/zinc/22/58/80/386225880.db2.gz LEIRKQCZMLRRNA-JSGCOSHPSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccncc1 ZINC000275606630 386225883 /nfs/dbraw/zinc/22/58/83/386225883.db2.gz LEIRKQCZMLRRNA-JSGCOSHPSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000275606630 386225885 /nfs/dbraw/zinc/22/58/85/386225885.db2.gz LEIRKQCZMLRRNA-JSGCOSHPSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000275606630 386225889 /nfs/dbraw/zinc/22/58/89/386225889.db2.gz LEIRKQCZMLRRNA-JSGCOSHPSA-N 2 1 233.359 1.854 20 0 BDADMP [NH3+]C[C@H]1CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000347039935 386227107 /nfs/dbraw/zinc/22/71/07/386227107.db2.gz KBWHXLFXMFGRIT-LLVKDONJSA-N 2 1 248.326 1.238 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000347039935 386227109 /nfs/dbraw/zinc/22/71/09/386227109.db2.gz KBWHXLFXMFGRIT-LLVKDONJSA-N 2 1 248.326 1.238 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414712777 386229067 /nfs/dbraw/zinc/22/90/67/386229067.db2.gz OLUJMGAYDYQPAY-YVECIDJPSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccccc1 ZINC000132406714 386235195 /nfs/dbraw/zinc/23/51/95/386235195.db2.gz QSOBLXHFWHDKKA-CHWSQXEVSA-N 2 1 234.343 1.735 20 0 BDADMP Cc1occc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000414385347 386239294 /nfs/dbraw/zinc/23/92/94/386239294.db2.gz FEZVYFCEALJWPC-LBPRGKRZSA-N 2 1 222.332 1.972 20 0 BDADMP Cc1occc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000414385347 386239298 /nfs/dbraw/zinc/23/92/98/386239298.db2.gz FEZVYFCEALJWPC-LBPRGKRZSA-N 2 1 222.332 1.972 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414716031 386244599 /nfs/dbraw/zinc/24/45/99/386244599.db2.gz WMSUZVHOTOKHIO-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)CC[C@H](C)O ZINC000414717824 386245952 /nfs/dbraw/zinc/24/59/52/386245952.db2.gz YEJYHQDHUPPCMQ-WDEREUQCSA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CC[C@H](C)O ZINC000414717824 386245954 /nfs/dbraw/zinc/24/59/54/386245954.db2.gz YEJYHQDHUPPCMQ-WDEREUQCSA-N 2 1 202.342 1.063 20 0 BDADMP CCC[N@@H+](C[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000347095818 386248025 /nfs/dbraw/zinc/24/80/25/386248025.db2.gz IINVUDKFEUQODF-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)[NH+](C)C ZINC000353512493 386251780 /nfs/dbraw/zinc/25/17/80/386251780.db2.gz CXBKVGMKIJWWJR-RQJABVFESA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N(C)C ZINC000353512493 386251785 /nfs/dbraw/zinc/25/17/85/386251785.db2.gz CXBKVGMKIJWWJR-RQJABVFESA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)N(C)C ZINC000353512493 386251789 /nfs/dbraw/zinc/25/17/89/386251789.db2.gz CXBKVGMKIJWWJR-RQJABVFESA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695462 386194262 /nfs/dbraw/zinc/19/42/62/386194262.db2.gz UUQPYIUSICERFR-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP Cn1cncc1CC[N@H+]1CCCC1(C)C ZINC000297970141 386290173 /nfs/dbraw/zinc/29/01/73/386290173.db2.gz XCNIFOIDZCXOEI-UHFFFAOYSA-N 2 1 207.321 1.837 20 0 BDADMP Cc1noc(CCC[NH2+][C@@H](C[NH3+])C(C)(C)C)n1 ZINC000647988065 386293936 /nfs/dbraw/zinc/29/39/36/386293936.db2.gz KPGFMTDOBYWQKZ-JTQLQIEISA-N 2 1 240.351 1.274 20 0 BDADMP CC[C@@H](COC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336731573 386325269 /nfs/dbraw/zinc/32/52/69/386325269.db2.gz KUQHIPKERJKCKP-LBPRGKRZSA-N 2 1 212.337 1.263 20 0 BDADMP C[C@@H](O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336679527 386322815 /nfs/dbraw/zinc/32/28/15/386322815.db2.gz PMUHZQUHPHPPQP-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647884683 386264449 /nfs/dbraw/zinc/26/44/49/386264449.db2.gz WXLFYJPEBSIYHQ-NEPJUHHUSA-N 2 1 234.343 1.995 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000347163267 386267861 /nfs/dbraw/zinc/26/78/61/386267861.db2.gz IPJTXCJWFNQGOG-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000336644557 386279195 /nfs/dbraw/zinc/27/91/95/386279195.db2.gz GPYLKKFCILDCJS-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000336644557 386279198 /nfs/dbraw/zinc/27/91/98/386279198.db2.gz GPYLKKFCILDCJS-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000336644557 386279202 /nfs/dbraw/zinc/27/92/02/386279202.db2.gz GPYLKKFCILDCJS-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000336644557 386279205 /nfs/dbraw/zinc/27/92/05/386279205.db2.gz GPYLKKFCILDCJS-NEPJUHHUSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(O)CCC3)CC[C@H]21 ZINC000335277171 386340828 /nfs/dbraw/zinc/34/08/28/386340828.db2.gz DCHLUXBCKKIRRF-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(O)CCC3)CC[C@H]21 ZINC000335277171 386340833 /nfs/dbraw/zinc/34/08/33/386340833.db2.gz DCHLUXBCKKIRRF-CHWSQXEVSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@H](CNc1ccccn1)C[NH+]1CCOCC1 ZINC000265530555 386346270 /nfs/dbraw/zinc/34/62/70/386346270.db2.gz AUKRWGVEPGZOCL-GFCCVEGCSA-N 2 1 235.331 1.462 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)CCCCO ZINC000414747075 386350021 /nfs/dbraw/zinc/35/00/21/386350021.db2.gz RQNNLLOVJUNXHZ-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCCCO ZINC000414747075 386350026 /nfs/dbraw/zinc/35/00/26/386350026.db2.gz RQNNLLOVJUNXHZ-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000336689371 386355588 /nfs/dbraw/zinc/35/55/88/386355588.db2.gz CDPPFJITWJSRDB-NSHDSACASA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000289792665 386356272 /nfs/dbraw/zinc/35/62/72/386356272.db2.gz LNUBCRMQSJSXPM-LBPRGKRZSA-N 2 1 237.347 1.662 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000647889427 386359465 /nfs/dbraw/zinc/35/94/65/386359465.db2.gz PTOQBKGQLSJIJS-UPJWGTAASA-N 2 1 240.416 1.956 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000647889427 386359472 /nfs/dbraw/zinc/35/94/72/386359472.db2.gz PTOQBKGQLSJIJS-UPJWGTAASA-N 2 1 240.416 1.956 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000647889428 386360535 /nfs/dbraw/zinc/36/05/35/386360535.db2.gz PTOQBKGQLSJIJS-XQQFMLRXSA-N 2 1 240.416 1.956 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000647889428 386360538 /nfs/dbraw/zinc/36/05/38/386360538.db2.gz PTOQBKGQLSJIJS-XQQFMLRXSA-N 2 1 240.416 1.956 20 0 BDADMP Cc1cn[nH]c1C[NH2+]CCCn1cc[nH+]c1C ZINC000289848289 386362077 /nfs/dbraw/zinc/36/20/77/386362077.db2.gz KPTXIFTUIFLXCF-UHFFFAOYSA-N 2 1 233.319 1.403 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336691854 386362628 /nfs/dbraw/zinc/36/26/28/386362628.db2.gz CLHBKWRFYWRORB-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336691854 386362634 /nfs/dbraw/zinc/36/26/34/386362634.db2.gz CLHBKWRFYWRORB-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336691854 386362643 /nfs/dbraw/zinc/36/26/43/386362643.db2.gz CLHBKWRFYWRORB-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336691865 386364133 /nfs/dbraw/zinc/36/41/33/386364133.db2.gz CLHBKWRFYWRORB-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336691865 386364137 /nfs/dbraw/zinc/36/41/37/386364137.db2.gz CLHBKWRFYWRORB-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336691865 386364142 /nfs/dbraw/zinc/36/41/42/386364142.db2.gz CLHBKWRFYWRORB-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000414750897 386377959 /nfs/dbraw/zinc/37/79/59/386377959.db2.gz ZDDNRPZPXHNTBR-CRWXNKLISA-N 2 1 242.407 1.841 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414903430 386331876 /nfs/dbraw/zinc/33/18/76/386331876.db2.gz ZQGIIGPZZGQBLB-JHJVBQTASA-N 3 1 227.396 1.624 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+](C)C2CC([NH3+])C2)CCO1 ZINC000414768077 386443557 /nfs/dbraw/zinc/44/35/57/386443557.db2.gz HEWVPTLLSVDGHJ-IKWCTNDRSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336754243 386444162 /nfs/dbraw/zinc/44/41/62/386444162.db2.gz ICVAWAFHJBCLHQ-ZYHUDNBSSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1cccc2ncc(C[NH2+]C3CC[NH2+]CC3)n21 ZINC000335279886 386394737 /nfs/dbraw/zinc/39/47/37/386394737.db2.gz UTRHKGQMKRFNMC-UHFFFAOYSA-N 2 1 244.342 1.484 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000277065764 386404643 /nfs/dbraw/zinc/40/46/43/386404643.db2.gz NZLJEESUFNLGKH-DTWKUNHWSA-N 2 1 236.319 1.069 20 0 BDADMP C[C@H]1COc2ccccc2C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647991229 386407982 /nfs/dbraw/zinc/40/79/82/386407982.db2.gz MUXRATZDKUYYME-QWHCGFSZSA-N 2 1 246.354 1.879 20 0 BDADMP C[C@H]1COc2ccccc2C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647991229 386407987 /nfs/dbraw/zinc/40/79/87/386407987.db2.gz MUXRATZDKUYYME-QWHCGFSZSA-N 2 1 246.354 1.879 20 0 BDADMP CC[C@@H](C)[N@H+](CCO)CCCn1cc[nH+]c1C ZINC000336708682 386417939 /nfs/dbraw/zinc/41/79/39/386417939.db2.gz NYZDTLGJXSFSJD-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP CC[C@@H](C)[N@@H+](CCO)CCCn1cc[nH+]c1C ZINC000336708682 386417941 /nfs/dbraw/zinc/41/79/41/386417941.db2.gz NYZDTLGJXSFSJD-GFCCVEGCSA-N 2 1 239.363 1.674 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934506 386475753 /nfs/dbraw/zinc/47/57/53/386475753.db2.gz HKURNNKAVCNNPO-ZIAGYGMSSA-N 3 1 239.407 1.435 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647934662 386483896 /nfs/dbraw/zinc/48/38/96/386483896.db2.gz LZONIMLFNQQUPU-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@H](C)[NH3+] ZINC000415011124 386485160 /nfs/dbraw/zinc/48/51/60/386485160.db2.gz QEIDUBHSJFAQGS-NWDGAFQWSA-N 2 1 244.342 1.698 20 0 BDADMP [NH3+]CC1(CN2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000414777515 386486406 /nfs/dbraw/zinc/48/64/06/386486406.db2.gz XXKRGKAGFWAGTQ-ZDUSSCGKSA-N 2 1 237.391 1.047 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417350658 386487514 /nfs/dbraw/zinc/48/75/14/386487514.db2.gz AULVDFGOAFLERG-VEGXAWMVSA-N 2 1 226.364 1.218 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647935086 386489679 /nfs/dbraw/zinc/48/96/79/386489679.db2.gz ZAOBPOACPXQZKR-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000519555296 386492246 /nfs/dbraw/zinc/49/22/46/386492246.db2.gz RDEFSKRTKUGEBY-NEPJUHHUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000519555296 386492252 /nfs/dbraw/zinc/49/22/52/386492252.db2.gz RDEFSKRTKUGEBY-NEPJUHHUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000519555296 386492256 /nfs/dbraw/zinc/49/22/56/386492256.db2.gz RDEFSKRTKUGEBY-NEPJUHHUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000519555296 386492259 /nfs/dbraw/zinc/49/22/59/386492259.db2.gz RDEFSKRTKUGEBY-NEPJUHHUSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780340 386494395 /nfs/dbraw/zinc/49/43/95/386494395.db2.gz LIKUCWYIHKKDKM-UPJWGTAASA-N 2 1 238.375 1.330 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000519596310 386496747 /nfs/dbraw/zinc/49/67/47/386496747.db2.gz OTINJBCCHAZHRC-JHJVBQTASA-N 2 1 225.380 1.236 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415051626 386508204 /nfs/dbraw/zinc/50/82/04/386508204.db2.gz MHCCEMFSEUEZBO-UQOMUDLDSA-N 2 1 230.355 1.988 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899190 386508744 /nfs/dbraw/zinc/50/87/44/386508744.db2.gz CGSUNCAMWPRBDG-MCIONIFRSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899190 386508747 /nfs/dbraw/zinc/50/87/47/386508747.db2.gz CGSUNCAMWPRBDG-MCIONIFRSA-N 3 1 237.391 1.060 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000414785507 386512996 /nfs/dbraw/zinc/51/29/96/386512996.db2.gz JEXZCLRAZDMIMJ-DGAVXFQQSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000414785507 386512998 /nfs/dbraw/zinc/51/29/98/386512998.db2.gz JEXZCLRAZDMIMJ-DGAVXFQQSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415024639 386513144 /nfs/dbraw/zinc/51/31/44/386513144.db2.gz NVGQQYWRWUADQA-JOCQHMNTSA-N 3 1 239.407 1.435 20 0 BDADMP CC[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000414785506 386515560 /nfs/dbraw/zinc/51/55/60/386515560.db2.gz JEXZCLRAZDMIMJ-CRWXNKLISA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000414785506 386515567 /nfs/dbraw/zinc/51/55/67/386515567.db2.gz JEXZCLRAZDMIMJ-CRWXNKLISA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000415027767 386516389 /nfs/dbraw/zinc/51/63/89/386516389.db2.gz WWDUUCUPBNIKMP-JHJVBQTASA-N 3 1 225.380 1.093 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000415029181 386517174 /nfs/dbraw/zinc/51/71/74/386517174.db2.gz DMGFGSBGALVZHW-RQJABVFESA-N 3 1 239.407 1.434 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000415029181 386517179 /nfs/dbraw/zinc/51/71/79/386517179.db2.gz DMGFGSBGALVZHW-RQJABVFESA-N 2 1 239.407 1.434 20 0 BDADMP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1C ZINC000415040191 386527224 /nfs/dbraw/zinc/52/72/24/386527224.db2.gz QBKKSJHMCKPHCN-IMRBUKKESA-N 2 1 232.327 1.311 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccn1C ZINC000290645744 386465769 /nfs/dbraw/zinc/46/57/69/386465769.db2.gz YVTNWSSJLZHSDB-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccn1C ZINC000290645744 386465774 /nfs/dbraw/zinc/46/57/74/386465774.db2.gz YVTNWSSJLZHSDB-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccn1C ZINC000290645744 386465783 /nfs/dbraw/zinc/46/57/83/386465783.db2.gz YVTNWSSJLZHSDB-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccn1C ZINC000290645744 386465786 /nfs/dbraw/zinc/46/57/86/386465786.db2.gz YVTNWSSJLZHSDB-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccn1C ZINC000290645744 386465791 /nfs/dbraw/zinc/46/57/91/386465791.db2.gz YVTNWSSJLZHSDB-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccn1C ZINC000290645744 386465795 /nfs/dbraw/zinc/46/57/95/386465795.db2.gz YVTNWSSJLZHSDB-JSGCOSHPSA-N 2 1 235.375 1.797 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H](O)c2ccccc2)CC1 ZINC000289436223 386577001 /nfs/dbraw/zinc/57/70/01/386577001.db2.gz LJOHHMRDVRBLIH-OAHLLOKOSA-N 2 1 248.370 1.794 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977536 386578616 /nfs/dbraw/zinc/57/86/16/386578616.db2.gz DBRVSPFNYLFKKP-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343245318 386579746 /nfs/dbraw/zinc/57/97/46/386579746.db2.gz BUSUUASGNMBQRS-YNEHKIRRSA-N 2 1 226.364 1.533 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415076366 386581735 /nfs/dbraw/zinc/58/17/35/386581735.db2.gz GIAAQCYMMHTRQX-ZIAGYGMSSA-N 2 1 239.407 1.593 20 0 BDADMP COc1ccccc1/C=C/C[NH2+][C@H](C)C[NH3+] ZINC000414921719 386584799 /nfs/dbraw/zinc/58/47/99/386584799.db2.gz BMSVPICVQWYTSL-OKPNEXGHSA-N 2 1 220.316 1.645 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647905007 386585149 /nfs/dbraw/zinc/58/51/49/386585149.db2.gz DBJUDPFTICWRPT-JSGCOSHPSA-N 2 1 239.407 1.435 20 0 BDADMP NC[C@@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000414803728 386598608 /nfs/dbraw/zinc/59/86/08/386598608.db2.gz NXSXMCBWRZTJTL-GFCCVEGCSA-N 2 1 208.280 1.653 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000414803728 386598613 /nfs/dbraw/zinc/59/86/13/386598613.db2.gz NXSXMCBWRZTJTL-GFCCVEGCSA-N 2 1 208.280 1.653 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+]CC(C)(C)[NH3+] ZINC000414799824 386594021 /nfs/dbraw/zinc/59/40/21/386594021.db2.gz HJFHCNNPTWELNJ-UHFFFAOYSA-N 2 1 232.331 1.470 20 0 BDADMP COCc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415046606 386531966 /nfs/dbraw/zinc/53/19/66/386531966.db2.gz XPSNJAPHLVYTPQ-WDNDVIMCSA-N 2 1 232.327 1.140 20 0 BDADMP C[N@H+](Cc1ccncc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911215 386532629 /nfs/dbraw/zinc/53/26/29/386532629.db2.gz INGWSKGLVPXESM-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@@H+](Cc1ccncc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911215 386532633 /nfs/dbraw/zinc/53/26/33/386532633.db2.gz INGWSKGLVPXESM-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP C=Cn1cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000278499409 386535225 /nfs/dbraw/zinc/53/52/25/386535225.db2.gz NIEDGBFZBNVGIU-KGLIPLIRSA-N 2 1 246.358 1.510 20 0 BDADMP CC(C)(C)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789204 386535678 /nfs/dbraw/zinc/53/56/78/386535678.db2.gz XYTBQJFGHSSJJU-LBPRGKRZSA-N 2 1 240.391 1.720 20 0 BDADMP Cc1ccccc1C1([NH2+]C[C@H](C)[NH3+])CC1 ZINC000647995158 386540384 /nfs/dbraw/zinc/54/03/84/386540384.db2.gz AWGFCNZXGZWUPG-NSHDSACASA-N 2 1 204.317 1.921 20 0 BDADMP CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000415059025 386540528 /nfs/dbraw/zinc/54/05/28/386540528.db2.gz UKCWTAUPKAUXCJ-GFCCVEGCSA-N 2 1 249.358 1.249 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000415059025 386540536 /nfs/dbraw/zinc/54/05/36/386540536.db2.gz UKCWTAUPKAUXCJ-GFCCVEGCSA-N 2 1 249.358 1.249 20 0 BDADMP C[NH2+][C@@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000123265441 386541702 /nfs/dbraw/zinc/54/17/02/386541702.db2.gz NFDXNWBPEWCZIO-GFCCVEGCSA-N 2 1 249.358 1.501 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H](C)C1 ZINC000417360155 386543383 /nfs/dbraw/zinc/54/33/83/386543383.db2.gz XDAAUNDTSVWJGL-WUHRBBMRSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H](C[NH3+])C2CCCC2)CC[NH2+]1 ZINC000415065008 386547837 /nfs/dbraw/zinc/54/78/37/386547837.db2.gz LYRGFRDPPDKPFL-YRGRVCCFSA-N 3 1 239.407 1.482 20 0 BDADMP CC[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415067772 386549189 /nfs/dbraw/zinc/54/91/89/386549189.db2.gz LMKOASYGEAHEMI-TZMCWYRMSA-N 2 1 236.359 1.432 20 0 BDADMP CC[NH+](CC)CCN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336780471 386552623 /nfs/dbraw/zinc/55/26/23/386552623.db2.gz RKQDHIZCNXUNFI-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC[NH2+]C2CC2)[C@H](C)C1 ZINC000415069196 386552719 /nfs/dbraw/zinc/55/27/19/386552719.db2.gz OHZICJQSATYZJC-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000415069196 386552724 /nfs/dbraw/zinc/55/27/24/386552724.db2.gz OHZICJQSATYZJC-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000415069196 386552727 /nfs/dbraw/zinc/55/27/27/386552727.db2.gz OHZICJQSATYZJC-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP CC(C)([NH3+])C[NH2+]CCn1c2ccccc2[nH]c1=O ZINC000415084280 386597451 /nfs/dbraw/zinc/59/74/51/386597451.db2.gz ORJIPYLIYGNNRH-UHFFFAOYSA-N 2 1 248.330 1.069 20 0 BDADMP COc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414811835 386627460 /nfs/dbraw/zinc/62/74/60/386627460.db2.gz WRDWLYBONAOUNO-CYBMUJFWSA-N 2 1 220.316 1.522 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000353162880 386630180 /nfs/dbraw/zinc/63/01/80/386630180.db2.gz BANMYSCOFGPDAK-GFCCVEGCSA-N 2 1 249.358 1.664 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](CF)C2)CC[NH2+]1 ZINC000415120678 386633761 /nfs/dbraw/zinc/63/37/61/386633761.db2.gz JAUOZOPUVYZGPF-UTUOFQBUSA-N 2 1 230.327 1.045 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647906699 386639573 /nfs/dbraw/zinc/63/95/73/386639573.db2.gz MEWQTUUOAKIXCU-TZMCWYRMSA-N 3 1 239.407 1.435 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCSC1 ZINC000414812035 386639666 /nfs/dbraw/zinc/63/96/66/386639666.db2.gz KFPRVBZAUJXCSN-WDEREUQCSA-N 2 1 216.394 1.989 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CO)[C@@H]2C)CC[NH2+]1 ZINC000415133974 386640384 /nfs/dbraw/zinc/64/03/84/386640384.db2.gz DAJKXHBNXUQZON-RQJABVFESA-N 2 1 240.391 1.467 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414814570 386645503 /nfs/dbraw/zinc/64/55/03/386645503.db2.gz OBQWLINHRMOBQT-YNEHKIRRSA-N 3 1 227.396 1.482 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C)nc1C ZINC000414816182 386651729 /nfs/dbraw/zinc/65/17/29/386651729.db2.gz ZKKXXXDPWOGXSR-UHFFFAOYSA-N 2 1 224.352 1.336 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1C ZINC000414820259 386664972 /nfs/dbraw/zinc/66/49/72/386664972.db2.gz BSJPFTYJNCNXOV-LBPRGKRZSA-N 2 1 206.333 1.735 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000414820266 386665350 /nfs/dbraw/zinc/66/53/50/386665350.db2.gz BUFDNNAUHCKDJA-RYUDHWBXSA-N 2 1 206.333 1.988 20 0 BDADMP CC(C)(C)C[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357071093 386709246 /nfs/dbraw/zinc/70/92/46/386709246.db2.gz BMLFNCRHOWLJFZ-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000268780620 386693974 /nfs/dbraw/zinc/69/39/74/386693974.db2.gz CDAJVEWBQLRHLS-JTQLQIEISA-N 2 1 233.319 1.276 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414828987 386700342 /nfs/dbraw/zinc/70/03/42/386700342.db2.gz LVAAGQJQEWNUKX-CYBMUJFWSA-N 2 1 204.317 1.353 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]CC[C@H]1CCOC1 ZINC000414837290 386734693 /nfs/dbraw/zinc/73/46/93/386734693.db2.gz JKTFWSJNDQYIHH-NWDGAFQWSA-N 2 1 214.353 1.376 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCSC1 ZINC000414840580 386738374 /nfs/dbraw/zinc/73/83/74/386738374.db2.gz MMBRQEOOVBTUKV-WDEREUQCSA-N 2 1 216.394 1.845 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247483497 386720365 /nfs/dbraw/zinc/72/03/65/386720365.db2.gz SWHRMLJCYZXOFU-DZGCQCFKSA-N 2 1 248.370 1.604 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335545174 386729832 /nfs/dbraw/zinc/72/98/32/386729832.db2.gz XOYPQSXKYRLNNR-GFCCVEGCSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335545174 386729837 /nfs/dbraw/zinc/72/98/37/386729837.db2.gz XOYPQSXKYRLNNR-GFCCVEGCSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335545174 386729842 /nfs/dbraw/zinc/72/98/42/386729842.db2.gz XOYPQSXKYRLNNR-GFCCVEGCSA-N 2 1 248.374 1.682 20 0 BDADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414840696 386752385 /nfs/dbraw/zinc/75/23/85/386752385.db2.gz GZEYGEGPXJWGJO-RYUDHWBXSA-N 2 1 214.353 1.533 20 0 BDADMP CC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000020179796 386792136 /nfs/dbraw/zinc/79/21/36/386792136.db2.gz NMOOLFIJCMEGJE-UHFFFAOYSA-N 2 1 247.386 1.414 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000396601318 386787231 /nfs/dbraw/zinc/78/72/31/386787231.db2.gz XKGPKQXVEHNOSD-DGAVXFQQSA-N 2 1 237.391 1.343 20 0 BDADMP C[N@@H+](CCOc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000395043401 386811373 /nfs/dbraw/zinc/81/13/73/386811373.db2.gz UCAODTLGTFLOHJ-UHFFFAOYSA-N 2 1 238.306 1.626 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336671350 386812592 /nfs/dbraw/zinc/81/25/92/386812592.db2.gz SEXDZAUWRGPSCR-ZDUSSCGKSA-N 3 1 229.412 1.824 20 0 BDADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cnn(C)c1 ZINC000314632020 386814141 /nfs/dbraw/zinc/81/41/41/386814141.db2.gz FGYSFEKXXVRPKI-LLVKDONJSA-N 2 1 247.346 1.437 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414847425 386835320 /nfs/dbraw/zinc/83/53/20/386835320.db2.gz VUYNYIHHKAKXDC-CHWSQXEVSA-N 2 1 227.396 1.339 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334785345 386845761 /nfs/dbraw/zinc/84/57/61/386845761.db2.gz OMDSCAFZWAFUIS-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000334786484 386846895 /nfs/dbraw/zinc/84/68/95/386846895.db2.gz SMFDKLGBROPJSY-CYBMUJFWSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@H]1OCCN(CCc2cncn2C)[C@H]1C ZINC000334785821 386847156 /nfs/dbraw/zinc/84/71/56/386847156.db2.gz CDXGNIQZBBDWHC-WDEREUQCSA-N 2 1 223.320 1.072 20 0 BDADMP C[C@@H](C[NH3+])N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414942725 386894407 /nfs/dbraw/zinc/89/44/07/386894407.db2.gz KODUQBAEAAICHC-YDHLFZDLSA-N 2 1 247.386 1.759 20 0 BDADMP NC1(C[NH2+]C2CCC([NH3+])CC2)CCCCC1 ZINC000334836720 386878841 /nfs/dbraw/zinc/87/88/41/386878841.db2.gz IMECQVOJWCXCOA-UHFFFAOYSA-N 2 1 225.380 1.508 20 0 BDADMP C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000335758843 386886678 /nfs/dbraw/zinc/88/66/78/386886678.db2.gz HNWDHYRSLKMZGZ-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000414941024 386888513 /nfs/dbraw/zinc/88/85/13/386888513.db2.gz YDGYEQMLLRSCQB-IJLUTSLNSA-N 2 1 212.337 1.001 20 0 BDADMP Cc1cc(C)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358174265 386906909 /nfs/dbraw/zinc/90/69/09/386906909.db2.gz YIOKSILBYOGHMU-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1cc(C)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358174265 386906915 /nfs/dbraw/zinc/90/69/15/386906915.db2.gz YIOKSILBYOGHMU-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257536 386921123 /nfs/dbraw/zinc/92/11/23/386921123.db2.gz SASNKOAEXPEFGE-KGLIPLIRSA-N 2 1 240.391 1.778 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257536 386921128 /nfs/dbraw/zinc/92/11/28/386921128.db2.gz SASNKOAEXPEFGE-KGLIPLIRSA-N 2 1 240.391 1.778 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358265391 386924576 /nfs/dbraw/zinc/92/45/76/386924576.db2.gz ZUZLJGGHBAKSTJ-GJZGRUSLSA-N 2 1 248.370 1.794 20 0 BDADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358265391 386924579 /nfs/dbraw/zinc/92/45/79/386924579.db2.gz ZUZLJGGHBAKSTJ-GJZGRUSLSA-N 2 1 248.370 1.794 20 0 BDADMP CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)c1ncc[nH]1 ZINC000330957950 386930303 /nfs/dbraw/zinc/93/03/03/386930303.db2.gz AFMXQJVPJIJJOU-SNVBAGLBSA-N 2 1 238.335 1.317 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc1 ZINC000162186533 386944632 /nfs/dbraw/zinc/94/46/32/386944632.db2.gz BBFMODDXZNQUIC-VXGBXAGGSA-N 2 1 219.332 1.559 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924049 386967677 /nfs/dbraw/zinc/96/76/77/386967677.db2.gz JLFKQPOYKRXAPA-HABKJSAYSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](C[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352924049 386967683 /nfs/dbraw/zinc/96/76/83/386967683.db2.gz JLFKQPOYKRXAPA-HABKJSAYSA-N 2 1 238.375 1.580 20 0 BDADMP C[NH+](C[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352924049 386967686 /nfs/dbraw/zinc/96/76/86/386967686.db2.gz JLFKQPOYKRXAPA-HABKJSAYSA-N 2 1 238.375 1.580 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000332345054 386971882 /nfs/dbraw/zinc/97/18/82/386971882.db2.gz OGLQDHUGMKQGRF-BFHYXJOUSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000395205994 386998634 /nfs/dbraw/zinc/99/86/34/386998634.db2.gz ONNBQKKKQUOKAJ-SGMGOOAPSA-N 2 1 239.407 1.589 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cnccn1 ZINC000359214542 387066644 /nfs/dbraw/zinc/06/66/44/387066644.db2.gz JKPSIOAVCAGXPH-UHFFFAOYSA-N 2 1 234.347 1.298 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H]2CCC[C@@H]21 ZINC000417411848 387046072 /nfs/dbraw/zinc/04/60/72/387046072.db2.gz WXINJUWGHVYFDL-HTVCTNPSSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@]1(F)CNCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000334973396 387058689 /nfs/dbraw/zinc/05/86/89/387058689.db2.gz OUEZINWZKFUQHX-RYUDHWBXSA-N 2 1 230.327 1.189 20 0 BDADMP C[C@]1(F)CNCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000334973396 387058694 /nfs/dbraw/zinc/05/86/94/387058694.db2.gz OUEZINWZKFUQHX-RYUDHWBXSA-N 2 1 230.327 1.189 20 0 BDADMP C[C@@H]([NH2+]CCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763869 387058796 /nfs/dbraw/zinc/05/87/96/387058796.db2.gz CEPUASABVJAJSO-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC1CC[NH2+]CC1 ZINC000359229578 387070860 /nfs/dbraw/zinc/07/08/60/387070860.db2.gz YDJRCLUGFCIZGS-CYBMUJFWSA-N 3 1 227.396 1.339 20 0 BDADMP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334984439 387071745 /nfs/dbraw/zinc/07/17/45/387071745.db2.gz ZBXQABDROGEMPI-YPMHNXCESA-N 2 1 235.331 1.639 20 0 BDADMP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)on1 ZINC000334984439 387071748 /nfs/dbraw/zinc/07/17/48/387071748.db2.gz ZBXQABDROGEMPI-YPMHNXCESA-N 2 1 235.331 1.639 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000126912821 387075563 /nfs/dbraw/zinc/07/55/63/387075563.db2.gz GVHVETQWFJFVQT-FZMZJTMJSA-N 2 1 246.354 1.791 20 0 BDADMP Cn1cc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000334994100 387084343 /nfs/dbraw/zinc/08/43/43/387084343.db2.gz UACWWXLVRZLMHF-AWEZNQCLSA-N 2 1 248.374 1.038 20 0 BDADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000334994872 387086776 /nfs/dbraw/zinc/08/67/76/387086776.db2.gz VSXCLHJKXVVSFR-UONOGXRCSA-N 2 1 238.375 1.631 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334996827 387088575 /nfs/dbraw/zinc/08/85/75/387088575.db2.gz VYUNURGCAHGILO-UONOGXRCSA-N 3 1 237.391 1.062 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000423299962 387131221 /nfs/dbraw/zinc/13/12/21/387131221.db2.gz QOXGNBHIVFQXMO-MJBXVCDLSA-N 2 1 239.407 1.720 20 0 BDADMP COCC[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423300734 387131455 /nfs/dbraw/zinc/13/14/55/387131455.db2.gz FFHCGRIORCVVSE-FRRDWIJNSA-N 2 1 226.364 1.533 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000228657697 387103780 /nfs/dbraw/zinc/10/37/80/387103780.db2.gz SVDHQCGXHILRQP-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000228657697 387103784 /nfs/dbraw/zinc/10/37/84/387103784.db2.gz SVDHQCGXHILRQP-TZMCWYRMSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cnccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000228657718 387104079 /nfs/dbraw/zinc/10/40/79/387104079.db2.gz SVDHQCGXHILRQP-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000228657718 387104086 /nfs/dbraw/zinc/10/40/86/387104086.db2.gz SVDHQCGXHILRQP-OCCSQVGLSA-N 2 1 233.359 1.962 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1(C)CCCC1 ZINC000352365316 387113569 /nfs/dbraw/zinc/11/35/69/387113569.db2.gz QGCJFFCHZQMGQY-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1(C)CCCC1 ZINC000352365316 387113573 /nfs/dbraw/zinc/11/35/73/387113573.db2.gz QGCJFFCHZQMGQY-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1(C)CCCC1)C1CC1 ZINC000352365316 387113575 /nfs/dbraw/zinc/11/35/75/387113575.db2.gz QGCJFFCHZQMGQY-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1(C)CCCC1)C1CC1 ZINC000352365316 387113577 /nfs/dbraw/zinc/11/35/77/387113577.db2.gz QGCJFFCHZQMGQY-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP CN(C[C@@H](O)C[N@@H+](C)[C@H]1CC1(C)C)C1CC1 ZINC000352365138 387114153 /nfs/dbraw/zinc/11/41/53/387114153.db2.gz NOHDYTIHTFZISF-NEPJUHHUSA-N 2 1 226.364 1.172 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc(C)n1 ZINC000335027741 387120354 /nfs/dbraw/zinc/12/03/54/387120354.db2.gz IULPLKNWASQXQN-STQMWFEESA-N 2 1 219.332 1.668 20 0 BDADMP C[N@@H+](C[C@@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250402424 387124744 /nfs/dbraw/zinc/12/47/44/387124744.db2.gz MKZGFYPQAFLVNI-ICIURTGMSA-N 2 1 238.375 1.628 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H](CO)C1 ZINC000370622368 387128598 /nfs/dbraw/zinc/12/85/98/387128598.db2.gz NHFHIHASMMCROV-AWEZNQCLSA-N 2 1 242.407 1.813 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423305708 387141618 /nfs/dbraw/zinc/14/16/18/387141618.db2.gz CIPPMMLKEVAPBU-VOAKCMCISA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H](O)C[C@H](C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353146790 387145436 /nfs/dbraw/zinc/14/54/36/387145436.db2.gz KOMDNTYPKXLQBF-WDEREUQCSA-N 2 1 237.347 1.397 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000249970804 387151766 /nfs/dbraw/zinc/15/17/66/387151766.db2.gz HUVUKTCLWYTOIN-JSGCOSHPSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(CO)CC1 ZINC000186958831 387156200 /nfs/dbraw/zinc/15/62/00/387156200.db2.gz SPQONWNCMBBOOY-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423320321 387161979 /nfs/dbraw/zinc/16/19/79/387161979.db2.gz GDYSCGZHHLSZPZ-RWEMILLDSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423323006 387165075 /nfs/dbraw/zinc/16/50/75/387165075.db2.gz JETCSRWPZIOXDC-NEPJUHHUSA-N 2 1 244.342 1.870 20 0 BDADMP C[N@@H+](CCn1ccnc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000371258713 387183062 /nfs/dbraw/zinc/18/30/62/387183062.db2.gz POWPQAJGQZNCBH-JHJVBQTASA-N 2 1 249.358 1.628 20 0 BDADMP C[N@H+](Cc1cccc(N)c1)[C@@H](C[NH3+])C1CC1 ZINC000359881956 387183433 /nfs/dbraw/zinc/18/34/33/387183433.db2.gz RQPIXGBCXLWNTP-ZDUSSCGKSA-N 2 1 219.332 1.438 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)[C@@H](C[NH3+])C1CC1 ZINC000359881956 387183440 /nfs/dbraw/zinc/18/34/40/387183440.db2.gz RQPIXGBCXLWNTP-ZDUSSCGKSA-N 2 1 219.332 1.438 20 0 BDADMP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228856674 387134201 /nfs/dbraw/zinc/13/42/01/387134201.db2.gz SPPSXPBPGVCRJS-RYUDHWBXSA-N 2 1 228.380 1.874 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](COC)C(C)C ZINC000423301504 387134257 /nfs/dbraw/zinc/13/42/57/387134257.db2.gz UBAIWGXLKPRYAV-NWDGAFQWSA-N 2 1 216.369 1.765 20 0 BDADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(F)c1 ZINC000423302134 387134520 /nfs/dbraw/zinc/13/45/20/387134520.db2.gz IUWLKPYULLCGPY-SECBINFHSA-N 2 1 208.280 1.696 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(C)(C)O)CC1 ZINC000370696630 387136910 /nfs/dbraw/zinc/13/69/10/387136910.db2.gz GXVPVKLIQNXRFK-LBPRGKRZSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408937 387205621 /nfs/dbraw/zinc/20/56/21/387205621.db2.gz SXASEJPJSIIXQQ-IHRRRGAJSA-N 2 1 240.391 1.754 20 0 BDADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408661 387205934 /nfs/dbraw/zinc/20/59/34/387205934.db2.gz GRIQLGRTLQTMKY-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300415643 387208550 /nfs/dbraw/zinc/20/85/50/387208550.db2.gz XTXMTVKUYCCXRQ-REWJHTLYSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289285922 387208806 /nfs/dbraw/zinc/20/88/06/387208806.db2.gz ALBJAAJREBUIDA-DOMZBBRYSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289285922 387208808 /nfs/dbraw/zinc/20/88/08/387208808.db2.gz ALBJAAJREBUIDA-DOMZBBRYSA-N 2 1 248.370 1.792 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(CC)CC ZINC000423360675 387213560 /nfs/dbraw/zinc/21/35/60/387213560.db2.gz GDWOLBIZHJALJN-SDDRHHMPSA-N 2 1 228.380 1.907 20 0 BDADMP Cc1ncc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)n1 ZINC000423361190 387213950 /nfs/dbraw/zinc/21/39/50/387213950.db2.gz MEJZUUDLUCJDQH-ZWNOBZJWSA-N 2 1 248.374 1.886 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423364923 387215327 /nfs/dbraw/zinc/21/53/27/387215327.db2.gz KDURKZSJVJKYHS-ZDEQEGDKSA-N 2 1 226.364 1.519 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423367500 387219323 /nfs/dbraw/zinc/21/93/23/387219323.db2.gz MOZVWDVCUJLKKF-TUAOUCFPSA-N 2 1 236.363 1.824 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CC=CCC1 ZINC000572054789 387225589 /nfs/dbraw/zinc/22/55/89/387225589.db2.gz ATKWHLIUVBTGGN-KGLIPLIRSA-N 2 1 240.391 1.587 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CC=CCC1 ZINC000572054789 387225590 /nfs/dbraw/zinc/22/55/90/387225590.db2.gz ATKWHLIUVBTGGN-KGLIPLIRSA-N 2 1 240.391 1.587 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000572054789 387225594 /nfs/dbraw/zinc/22/55/94/387225594.db2.gz ATKWHLIUVBTGGN-KGLIPLIRSA-N 2 1 240.391 1.587 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000572054789 387225599 /nfs/dbraw/zinc/22/55/99/387225599.db2.gz ATKWHLIUVBTGGN-KGLIPLIRSA-N 2 1 240.391 1.587 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423401509 387237347 /nfs/dbraw/zinc/23/73/47/387237347.db2.gz QXQFIUMBDQJVHY-WUHRBBMRSA-N 2 1 226.364 1.519 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000336409231 387238698 /nfs/dbraw/zinc/23/86/98/387238698.db2.gz NZTXOAFWMHHFQI-CYBMUJFWSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C1CCc2ccccc2CC1 ZINC000423406782 387243557 /nfs/dbraw/zinc/24/35/57/387243557.db2.gz UZZDXAQHJOSHNO-NSHDSACASA-N 2 1 218.344 1.871 20 0 BDADMP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH3+] ZINC000423410006 387246348 /nfs/dbraw/zinc/24/63/48/387246348.db2.gz ZLYMLSZBCMQBAE-GARJFASQSA-N 2 1 200.326 1.128 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423410323 387246683 /nfs/dbraw/zinc/24/66/83/387246683.db2.gz ZZEFKECNULSFNL-XGFWRYKXSA-N 2 1 239.407 1.303 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423410323 387246689 /nfs/dbraw/zinc/24/66/89/387246689.db2.gz ZZEFKECNULSFNL-XGFWRYKXSA-N 3 1 239.407 1.303 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423410323 387246693 /nfs/dbraw/zinc/24/66/93/387246693.db2.gz ZZEFKECNULSFNL-XGFWRYKXSA-N 3 1 239.407 1.303 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000161581653 387247464 /nfs/dbraw/zinc/24/74/64/387247464.db2.gz DHGODUIXVCCZHH-SWLSCSKDSA-N 2 1 247.386 1.862 20 0 BDADMP COc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000423425849 387251910 /nfs/dbraw/zinc/25/19/10/387251910.db2.gz HJCRHHZGPXDASK-RABLLNBGSA-N 2 1 246.354 1.872 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353396417 387194460 /nfs/dbraw/zinc/19/44/60/387194460.db2.gz SUGCOPBELBJMSX-IGQOVBAYSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CC[C@H](NCC(F)(F)CN)[C@H]2CCC[C@H]21 ZINC000423349438 387200661 /nfs/dbraw/zinc/20/06/61/387200661.db2.gz WTMMRSXFDDNIIY-OUAUKWLOSA-N 2 1 247.333 1.043 20 0 BDADMP C[N@@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@H]2CCC[C@H]21 ZINC000423349438 387200665 /nfs/dbraw/zinc/20/06/65/387200665.db2.gz WTMMRSXFDDNIIY-OUAUKWLOSA-N 2 1 247.333 1.043 20 0 BDADMP C[N@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@H]2CCC[C@H]21 ZINC000423349438 387200668 /nfs/dbraw/zinc/20/06/68/387200668.db2.gz WTMMRSXFDDNIIY-OUAUKWLOSA-N 2 1 247.333 1.043 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423348892 387201420 /nfs/dbraw/zinc/20/14/20/387201420.db2.gz UTLYSCZYOSXTEX-MCIONIFRSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423375679 387256534 /nfs/dbraw/zinc/25/65/34/387256534.db2.gz DBPWQWLJHKDTAQ-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423382806 387265848 /nfs/dbraw/zinc/26/58/48/387265848.db2.gz PDTOFDBIQURVPR-QNWHQSFQSA-N 2 1 225.380 1.057 20 0 BDADMP CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccnc1 ZINC000423433061 387283624 /nfs/dbraw/zinc/28/36/24/387283624.db2.gz MURBBQPVXWCOGY-RFQIPJPRSA-N 2 1 231.343 1.730 20 0 BDADMP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423442128 387293071 /nfs/dbraw/zinc/29/30/71/387293071.db2.gz UYKBGVOYOOIUOK-SFDCQRBFSA-N 2 1 244.338 1.708 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000423450054 387300377 /nfs/dbraw/zinc/30/03/77/387300377.db2.gz HCIYYMJDEQVWHE-UTUOFQBUSA-N 2 1 213.369 1.234 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)on1 ZINC000353995187 387307518 /nfs/dbraw/zinc/30/75/18/387307518.db2.gz HHHSDSFHKLFTLM-GWCFXTLKSA-N 2 1 237.347 1.455 20 0 BDADMP C[C@@H]([NH2+]CCOCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400441906 387309281 /nfs/dbraw/zinc/30/92/81/387309281.db2.gz MTHNUYAFXOUMRO-UKRRQHHQSA-N 2 1 248.370 1.933 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[N@H+]1C1CC1 ZINC000643501582 387356040 /nfs/dbraw/zinc/35/60/40/387356040.db2.gz LLYREGGCYPXKEL-FRRDWIJNSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CCOC1 ZINC000423531462 387358104 /nfs/dbraw/zinc/35/81/04/387358104.db2.gz QJKRNKCRCBDTGU-WCFLWFBJSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502356 387363814 /nfs/dbraw/zinc/36/38/14/387363814.db2.gz DHXJOVUFVZAICR-VXGBXAGGSA-N 3 1 213.369 1.236 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423553698 387373494 /nfs/dbraw/zinc/37/34/94/387373494.db2.gz KTQPUNRTJKZEPR-HBNTYKKESA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121516151 387374826 /nfs/dbraw/zinc/37/48/26/387374826.db2.gz MWCRWBASGYBQEY-DGCLKSJQSA-N 2 1 239.363 1.842 20 0 BDADMP CCOC(=O)C[N@@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000515516694 387384776 /nfs/dbraw/zinc/38/47/76/387384776.db2.gz GEWXBAUBVYNHDL-NWDGAFQWSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423561036 387376145 /nfs/dbraw/zinc/37/61/45/387376145.db2.gz PMFUZUXILWIALK-WCQYABFASA-N 2 1 222.332 1.942 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)CC[N@H+]1C ZINC000423555077 387376363 /nfs/dbraw/zinc/37/63/63/387376363.db2.gz LQDFVBFFCJUWKH-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000373554374 387379950 /nfs/dbraw/zinc/37/99/50/387379950.db2.gz LLEWRAVOKUVBRR-RYUDHWBXSA-N 2 1 237.347 1.460 20 0 BDADMP C[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462909 387320660 /nfs/dbraw/zinc/32/06/60/387320660.db2.gz YFGKGOTXMRPPDA-MRVWCRGKSA-N 2 1 237.391 1.201 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCSCC2)C1 ZINC000575498302 387331075 /nfs/dbraw/zinc/33/10/75/387331075.db2.gz WNAURNKFJIIBCM-AOOOYVTPSA-N 2 1 200.351 1.163 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccncc1 ZINC000423493748 387338361 /nfs/dbraw/zinc/33/83/61/387338361.db2.gz QZXIOXBEHNVMAB-ZIAGYGMSSA-N 2 1 249.358 1.501 20 0 BDADMP C[NH+](C)C[C@H]1CN([C@H]2CCC(C)(C)C2)CCO1 ZINC000372976857 387338536 /nfs/dbraw/zinc/33/85/36/387338536.db2.gz RSMQSZXAIZAPGI-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423502633 387342081 /nfs/dbraw/zinc/34/20/81/387342081.db2.gz FDZTZQGLBIJUQJ-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H]1CCCOC1 ZINC000423506666 387346210 /nfs/dbraw/zinc/34/62/10/387346210.db2.gz PETWMZFCNWURIX-IACUBPJLSA-N 2 1 240.391 1.909 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCC1 ZINC000423512691 387347908 /nfs/dbraw/zinc/34/79/08/387347908.db2.gz KXUOJTXEYWBIEE-CHWSQXEVSA-N 2 1 225.380 1.058 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361395724 387454507 /nfs/dbraw/zinc/45/45/07/387454507.db2.gz BDIWSPHLWKBZKK-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361395724 387454511 /nfs/dbraw/zinc/45/45/11/387454511.db2.gz BDIWSPHLWKBZKK-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361395724 387454512 /nfs/dbraw/zinc/45/45/12/387454512.db2.gz BDIWSPHLWKBZKK-KBPBESRZSA-N 2 1 241.423 1.791 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000516492318 387516336 /nfs/dbraw/zinc/51/63/36/387516336.db2.gz VXLPOGYIWURVII-WUHRBBMRSA-N 3 1 225.380 1.234 20 0 BDADMP c1ccc2c(c1)CC[C@@H]([NH2+]CC[NH2+]C1CC1)C2 ZINC000643505854 387463874 /nfs/dbraw/zinc/46/38/74/387463874.db2.gz BOIYUSDKRAZYAO-OAHLLOKOSA-N 2 1 230.355 1.886 20 0 BDADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCOCC1 ZINC000643507094 387474968 /nfs/dbraw/zinc/47/49/68/387474968.db2.gz RZRFNYRFHZRTKK-SNVBAGLBSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)CCO1 ZINC000643507901 387478677 /nfs/dbraw/zinc/47/86/77/387478677.db2.gz VQZGENCRNKKTKA-QWHCGFSZSA-N 2 1 226.364 1.532 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000355882774 387589253 /nfs/dbraw/zinc/58/92/53/387589253.db2.gz SJFUZCGXCSSLAX-VIFPVBQESA-N 2 1 224.270 1.822 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000355882774 387589254 /nfs/dbraw/zinc/58/92/54/387589254.db2.gz SJFUZCGXCSSLAX-VIFPVBQESA-N 2 1 224.270 1.822 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1cccnc1 ZINC000123716318 387592589 /nfs/dbraw/zinc/59/25/89/387592589.db2.gz SCZLPEQXBLBAHQ-CQSZACIVSA-N 2 1 235.375 1.929 20 0 BDADMP C[C@@H](CC(N)=O)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000122722105 387593047 /nfs/dbraw/zinc/59/30/47/387593047.db2.gz DBJYRWHUPMYSPO-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000643512930 387595889 /nfs/dbraw/zinc/59/58/89/387595889.db2.gz LGEMQNIEAZHGLG-UTUOFQBUSA-N 2 1 212.337 1.271 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000643512634 387596235 /nfs/dbraw/zinc/59/62/35/387596235.db2.gz MFTOPCKZKCNWQY-MFKMUULPSA-N 2 1 222.332 1.928 20 0 BDADMP C[N@H+](Cc1cccc(C2CC2)c1)C[C@H](O)C[NH3+] ZINC000422550485 387599504 /nfs/dbraw/zinc/59/95/04/387599504.db2.gz BIBJQOVYXSTAED-CQSZACIVSA-N 2 1 234.343 1.315 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000422558115 387600727 /nfs/dbraw/zinc/60/07/27/387600727.db2.gz ADJZZMWXUCCPFS-OUAUKWLOSA-N 2 1 222.336 1.215 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] ZINC000422558115 387600731 /nfs/dbraw/zinc/60/07/31/387600731.db2.gz ADJZZMWXUCCPFS-OUAUKWLOSA-N 2 1 222.336 1.215 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000643515697 387608936 /nfs/dbraw/zinc/60/89/36/387608936.db2.gz RGMMZRXFYMNPBM-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422694301 387613421 /nfs/dbraw/zinc/61/34/21/387613421.db2.gz NSQCTRMRPMOITA-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430578847 387629382 /nfs/dbraw/zinc/62/93/82/387629382.db2.gz BNWJDQBJGXJZDU-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422699913 387615399 /nfs/dbraw/zinc/61/53/99/387615399.db2.gz FLAONTSDQYFUPT-IACUBPJLSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn2ccsc2n1 ZINC000422705334 387619831 /nfs/dbraw/zinc/61/98/31/387619831.db2.gz RGEAKOOZXMATCT-DTWKUNHWSA-N 2 1 238.360 1.611 20 0 BDADMP CC[N@@H+](C)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422709475 387622471 /nfs/dbraw/zinc/62/24/71/387622471.db2.gz DLRSFTABHZKXTG-SNVBAGLBSA-N 2 1 222.336 1.096 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000037256230 387563506 /nfs/dbraw/zinc/56/35/06/387563506.db2.gz JTAFKQVULXAHKU-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422791231 387694391 /nfs/dbraw/zinc/69/43/91/387694391.db2.gz YIDVWTFUPXJQLK-FRRDWIJNSA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422719147 387630700 /nfs/dbraw/zinc/63/07/00/387630700.db2.gz XQFSFSNLCNHAHU-UMSGYPCISA-N 2 1 228.380 1.514 20 0 BDADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422721622 387633537 /nfs/dbraw/zinc/63/35/37/387633537.db2.gz VVCFBPMYIRYRKJ-UONOGXRCSA-N 2 1 233.359 1.722 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422719456 387634106 /nfs/dbraw/zinc/63/41/06/387634106.db2.gz YEIBNUNKEXZUFT-CHWSQXEVSA-N 2 1 227.396 1.306 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422734460 387642518 /nfs/dbraw/zinc/64/25/18/387642518.db2.gz SITVRCNSWJENMW-MELADBBJSA-N 2 1 241.423 1.966 20 0 BDADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCO1 ZINC000125100853 387643370 /nfs/dbraw/zinc/64/33/70/387643370.db2.gz IYRSPALLCRFUOO-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCO1 ZINC000125100853 387643376 /nfs/dbraw/zinc/64/33/76/387643376.db2.gz IYRSPALLCRFUOO-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP CCC[C@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000356326062 387643902 /nfs/dbraw/zinc/64/39/02/387643902.db2.gz XKJCADSWFYIRQO-GFCCVEGCSA-N 2 1 214.353 1.485 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccccc1 ZINC000422739569 387644776 /nfs/dbraw/zinc/64/47/76/387644776.db2.gz ABZKOMDGMCDYHO-GXTWGEPZSA-N 2 1 218.344 1.817 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccccc1 ZINC000422739571 387645316 /nfs/dbraw/zinc/64/53/16/387645316.db2.gz ABZKOMDGMCDYHO-OCCSQVGLSA-N 2 1 218.344 1.817 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422737100 387646200 /nfs/dbraw/zinc/64/62/00/387646200.db2.gz HLRDPLWHMAPJMI-ZIAGYGMSSA-N 3 1 241.423 1.824 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422740628 387647326 /nfs/dbraw/zinc/64/73/26/387647326.db2.gz NWIXSOCALYTKQH-BFHYXJOUSA-N 2 1 234.343 1.844 20 0 BDADMP CCN(CC)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422749167 387652849 /nfs/dbraw/zinc/65/28/49/387652849.db2.gz XVQLAJUOQMCNEJ-STQMWFEESA-N 2 1 227.396 1.306 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422750021 387654918 /nfs/dbraw/zinc/65/49/18/387654918.db2.gz BWNLKYZSSVDVQQ-FRRDWIJNSA-N 2 1 228.380 1.922 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422750339 387656019 /nfs/dbraw/zinc/65/60/19/387656019.db2.gz CTWLYAKQRNDCEE-RDBSUJKOSA-N 3 1 239.407 1.720 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422750339 387656033 /nfs/dbraw/zinc/65/60/33/387656033.db2.gz CTWLYAKQRNDCEE-RDBSUJKOSA-N 3 1 239.407 1.720 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000422750722 387656855 /nfs/dbraw/zinc/65/68/55/387656855.db2.gz DOGPBINQZWJKHE-OLZOCXBDSA-N 2 1 220.316 1.535 20 0 BDADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccn1 ZINC000527683202 387659015 /nfs/dbraw/zinc/65/90/15/387659015.db2.gz KHDSTCVJYYKRIB-UHFFFAOYSA-N 2 1 231.343 1.742 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccs1 ZINC000422764616 387665357 /nfs/dbraw/zinc/66/53/57/387665357.db2.gz VHFWDZPIJJHSPT-ZYHUDNBSSA-N 2 1 224.373 1.878 20 0 BDADMP CC(C)(O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000362861199 387665699 /nfs/dbraw/zinc/66/56/99/387665699.db2.gz XHJUDPNWEUOXFJ-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422768089 387667558 /nfs/dbraw/zinc/66/75/58/387667558.db2.gz UFHNMYGTEYLQBE-GRYCIOLGSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOCC1CC1 ZINC000422777579 387675924 /nfs/dbraw/zinc/67/59/24/387675924.db2.gz CKVGEMZRXVQJBZ-YPMHNXCESA-N 2 1 226.364 1.391 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000126190177 387677020 /nfs/dbraw/zinc/67/70/20/387677020.db2.gz UKUNSEXTDMTCDE-HZSPNIEDSA-N 2 1 238.375 1.628 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000126190177 387677026 /nfs/dbraw/zinc/67/70/26/387677026.db2.gz UKUNSEXTDMTCDE-HZSPNIEDSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000422783521 387684173 /nfs/dbraw/zinc/68/41/73/387684173.db2.gz OFQAFGBGCOVDOF-LPWJVIDDSA-N 2 1 225.380 1.057 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422791227 387693158 /nfs/dbraw/zinc/69/31/58/387693158.db2.gz YIDVWTFUPXJQLK-AGIUHOORSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[NH+]1CCCCC1 ZINC000422791341 387693592 /nfs/dbraw/zinc/69/35/92/387693592.db2.gz UVKRDNVKSVLHNS-QWHCGFSZSA-N 3 1 227.396 1.578 20 0 BDADMP CCN(CC)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422744855 387693948 /nfs/dbraw/zinc/69/39/48/387693948.db2.gz KYCGGKNFWUHXJS-QWRGUYRKSA-N 2 1 201.358 1.044 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000643526216 387748717 /nfs/dbraw/zinc/74/87/17/387748717.db2.gz UWHQFHGREIYBIB-RKDXNWHRSA-N 2 1 222.288 1.413 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000422877490 387756615 /nfs/dbraw/zinc/75/66/15/387756615.db2.gz HXLJNHGOSDBEBA-CHWSQXEVSA-N 2 1 227.396 1.434 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000045035630 387702627 /nfs/dbraw/zinc/70/26/27/387702627.db2.gz CMRRGVDQNCVGFU-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C(C)C ZINC000422801017 387703063 /nfs/dbraw/zinc/70/30/63/387703063.db2.gz AVBZARMWDRHDOS-MFKMUULPSA-N 2 1 237.347 1.816 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422807576 387704838 /nfs/dbraw/zinc/70/48/38/387704838.db2.gz MUHLFBQSLPFIDS-WOPDTQHZSA-N 2 1 214.353 1.388 20 0 BDADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422805835 387706475 /nfs/dbraw/zinc/70/64/75/387706475.db2.gz JSAXSVAEGGCZSQ-LSDHHAIUSA-N 3 1 247.386 1.718 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC[NH+]1CCCCC1 ZINC000422809355 387709315 /nfs/dbraw/zinc/70/93/15/387709315.db2.gz MBRVFQZBBVRSQQ-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CCCCCC1 ZINC000422812302 387710694 /nfs/dbraw/zinc/71/06/94/387710694.db2.gz WFLDMTJGCBCUQA-OLZOCXBDSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H]([NH2+]Cc1cccc(F)c1)C1C[NH2+]C1 ZINC000422813186 387712276 /nfs/dbraw/zinc/71/22/76/387712276.db2.gz XRCMXIGEWKNHIL-VIFPVBQESA-N 2 1 208.280 1.523 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877134 387755390 /nfs/dbraw/zinc/75/53/90/387755390.db2.gz RBJJWJFLIZZDDN-UVLXDEKHSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000422821977 387717095 /nfs/dbraw/zinc/71/70/95/387717095.db2.gz ZMNMCCSFWKMRFQ-RISCZKNCSA-N 2 1 218.344 1.945 20 0 BDADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000422821577 387717384 /nfs/dbraw/zinc/71/73/84/387717384.db2.gz XDHXDNYZFONJJY-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP Cc1nc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cs1 ZINC000422820309 387717576 /nfs/dbraw/zinc/71/75/76/387717576.db2.gz PWVUOEBCWPNLNT-CABZTGNLSA-N 2 1 239.388 1.582 20 0 BDADMP C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422826221 387720842 /nfs/dbraw/zinc/72/08/42/387720842.db2.gz BWYITTKGILZKKP-BZPMIXESSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@H]([NH2+]CCc1nccs1)[C@@H]1CCC[NH2+]1 ZINC000422828801 387722448 /nfs/dbraw/zinc/72/24/48/387722448.db2.gz BHMOZIUSIUUGLT-QWRGUYRKSA-N 2 1 239.388 1.806 20 0 BDADMP C[NH+](C)CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127721935 387726458 /nfs/dbraw/zinc/72/64/58/387726458.db2.gz VUALUSZOYMUJJE-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000643525996 387755780 /nfs/dbraw/zinc/75/57/80/387755780.db2.gz LUKHDMXZWQLSEX-ZJUUUORDSA-N 2 1 236.315 1.456 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000422877493 387755814 /nfs/dbraw/zinc/75/58/14/387755814.db2.gz HXLJNHGOSDBEBA-QWHCGFSZSA-N 2 1 227.396 1.434 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128055568 387734934 /nfs/dbraw/zinc/73/49/34/387734934.db2.gz BKWOOHWOWJEPAX-CHWSQXEVSA-N 2 1 240.391 1.754 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1(C)C ZINC000422855992 387737370 /nfs/dbraw/zinc/73/73/70/387737370.db2.gz WEFQQPLYMCWIEI-TVYUQYBPSA-N 2 1 249.358 1.958 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422857805 387741568 /nfs/dbraw/zinc/74/15/68/387741568.db2.gz HXYWABPUPVJNIJ-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422857808 387742239 /nfs/dbraw/zinc/74/22/39/387742239.db2.gz HXYWABPUPVJNIJ-UPJWGTAASA-N 2 1 225.380 1.188 20 0 BDADMP CC[C@@H](O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422890349 387762479 /nfs/dbraw/zinc/76/24/79/387762479.db2.gz IGIQFQFIWZSUEE-QJPTWQEYSA-N 2 1 214.353 1.268 20 0 BDADMP COc1cccc(C2([NH2+][C@H](C)C3C[NH2+]C3)CC2)c1 ZINC000422961763 387811851 /nfs/dbraw/zinc/81/18/51/387811851.db2.gz ZUFAKHVYVJXPLB-LLVKDONJSA-N 2 1 246.354 1.882 20 0 BDADMP CCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccnc1 ZINC000643527918 387763544 /nfs/dbraw/zinc/76/35/44/387763544.db2.gz VMLRXPZCQJZXGU-CMPLNLGQSA-N 2 1 207.321 1.860 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000129107301 387764746 /nfs/dbraw/zinc/76/47/46/387764746.db2.gz DBNRQVQADPTEBZ-REWJHTLYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]([NH2+]Cc1cnc2ccccc2c1)C1C[NH2+]C1 ZINC000422909022 387768725 /nfs/dbraw/zinc/76/87/25/387768725.db2.gz FBQQQWZTNMNBNF-LLVKDONJSA-N 2 1 241.338 1.932 20 0 BDADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643528825 387772147 /nfs/dbraw/zinc/77/21/47/387772147.db2.gz PRMPHFBKTINGBO-APPZFPTMSA-N 2 1 225.361 1.766 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000643528820 387772617 /nfs/dbraw/zinc/77/26/17/387772617.db2.gz PLFHSWZBSUMVPL-OUJBWJOFSA-N 2 1 204.317 1.857 20 0 BDADMP CS[C@@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422933875 387782820 /nfs/dbraw/zinc/78/28/20/387782820.db2.gz IPSNUYIBJVBQKY-IUCAKERBSA-N 2 1 225.361 1.896 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422934462 387783613 /nfs/dbraw/zinc/78/36/13/387783613.db2.gz JLSOLFZDXKOLLH-MVWJERBFSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000432363649 387785356 /nfs/dbraw/zinc/78/53/56/387785356.db2.gz WNTURGBQKGZZHZ-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000432363649 387785359 /nfs/dbraw/zinc/78/53/59/387785359.db2.gz WNTURGBQKGZZHZ-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422902038 387787303 /nfs/dbraw/zinc/78/73/03/387787303.db2.gz COAZESYODFHXKH-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422902038 387787308 /nfs/dbraw/zinc/78/73/08/387787308.db2.gz COAZESYODFHXKH-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000422902694 387787422 /nfs/dbraw/zinc/78/74/22/387787422.db2.gz VANOIOMUWMSSIM-MQYQWHSLSA-N 2 1 237.391 1.201 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422977709 387788324 /nfs/dbraw/zinc/78/83/24/387788324.db2.gz XJIWVLMPDUTPRE-UONOGXRCSA-N 3 1 241.423 1.825 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422982401 387793197 /nfs/dbraw/zinc/79/31/97/387793197.db2.gz WOUGKWFUTXMSSK-JHJVBQTASA-N 2 1 228.380 1.658 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000527931577 387795094 /nfs/dbraw/zinc/79/50/94/387795094.db2.gz SZBITTKMMQBHFW-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP COCCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422986847 387795247 /nfs/dbraw/zinc/79/52/47/387795247.db2.gz DLRPKLBVUKZJGY-RYUDHWBXSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000422990971 387801150 /nfs/dbraw/zinc/80/11/50/387801150.db2.gz OVOHPDPJBYVIAW-VOAKCMCISA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000422990971 387801153 /nfs/dbraw/zinc/80/11/53/387801153.db2.gz OVOHPDPJBYVIAW-VOAKCMCISA-N 2 1 225.380 1.044 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000527975240 387813191 /nfs/dbraw/zinc/81/31/91/387813191.db2.gz SKACMEXZNXQANE-QNSTZXKLSA-N 2 1 240.391 1.872 20 0 BDADMP CCc1ccc([C@@H](CO)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422998146 387804206 /nfs/dbraw/zinc/80/42/06/387804206.db2.gz CIMJSNWPOOFFQT-OAHLLOKOSA-N 2 1 248.370 1.624 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422885944 387760145 /nfs/dbraw/zinc/76/01/45/387760145.db2.gz ZPAWDGGXORLVIB-ZIAGYGMSSA-N 2 1 241.423 1.694 20 0 BDADMP CC[N@@H+](CCN[C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422885143 387760615 /nfs/dbraw/zinc/76/06/15/387760615.db2.gz YFPJQLNOBOYSDG-VXGBXAGGSA-N 2 1 215.385 1.432 20 0 BDADMP C[C@H]([NH3+])CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000643527050 387760951 /nfs/dbraw/zinc/76/09/51/387760951.db2.gz CGFGHOLDIPYJPE-YDHLFZDLSA-N 2 1 247.386 1.586 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCOC)[C@H](C)C1 ZINC000151653394 387873027 /nfs/dbraw/zinc/87/30/27/387873027.db2.gz WOICKGYDXCLTFQ-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1cnccc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423016832 387840337 /nfs/dbraw/zinc/84/03/37/387840337.db2.gz URAXSKQYQCLDKO-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423019520 387840952 /nfs/dbraw/zinc/84/09/52/387840952.db2.gz WBDWZJIHOWWTOI-UMSGYPCISA-N 2 1 226.364 1.389 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423017282 387841757 /nfs/dbraw/zinc/84/17/57/387841757.db2.gz OHJAWXZHSLSSGH-AVGNSLFASA-N 2 1 240.391 1.371 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@H+](C)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000423032429 387848672 /nfs/dbraw/zinc/84/86/72/387848672.db2.gz MSKFOGCTURNMKS-ZDEQEGDKSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000423032429 387848677 /nfs/dbraw/zinc/84/86/77/387848677.db2.gz MSKFOGCTURNMKS-ZDEQEGDKSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1C ZINC000423034161 387849110 /nfs/dbraw/zinc/84/91/10/387849110.db2.gz PMIFKRZYGLBJDQ-YIPFDTCYSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1C ZINC000423034161 387849113 /nfs/dbraw/zinc/84/91/13/387849113.db2.gz PMIFKRZYGLBJDQ-YIPFDTCYSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@H+](C)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423032428 387849427 /nfs/dbraw/zinc/84/94/27/387849427.db2.gz MSKFOGCTURNMKS-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423032428 387849429 /nfs/dbraw/zinc/84/94/29/387849429.db2.gz MSKFOGCTURNMKS-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000423040520 387852771 /nfs/dbraw/zinc/85/27/71/387852771.db2.gz UKRFGFNMIOFQCC-MCIONIFRSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)[C@H]1CCC[NH2+]1 ZINC000423043123 387854672 /nfs/dbraw/zinc/85/46/72/387854672.db2.gz NIXROLVWNAJPLG-RVMXOQNASA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(F)(F)F ZINC000423053650 387862758 /nfs/dbraw/zinc/86/27/58/387862758.db2.gz SEBYPEUVPUARLR-BWZBUEFSSA-N 2 1 210.243 1.654 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423059075 387864604 /nfs/dbraw/zinc/86/46/04/387864604.db2.gz KZKYYYBPETXQRN-QWHCGFSZSA-N 2 1 239.407 1.720 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423069804 387872481 /nfs/dbraw/zinc/87/24/81/387872481.db2.gz MFLANNUNQYODGV-XWLWVQCSSA-N 2 1 200.326 1.140 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000527974819 387814360 /nfs/dbraw/zinc/81/43/60/387814360.db2.gz PLNMPGXTBXXCCO-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478281 387814542 /nfs/dbraw/zinc/81/45/42/387814542.db2.gz RXQODFPKCNOKHP-SWLSCSKDSA-N 2 1 248.370 1.309 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cncs1 ZINC000309511389 387815709 /nfs/dbraw/zinc/81/57/09/387815709.db2.gz XJNDBLYZOKLGGZ-VIFPVBQESA-N 2 1 236.344 1.770 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422969011 387818516 /nfs/dbraw/zinc/81/85/16/387818516.db2.gz YLRVKPQLJIZMKN-CHWSQXEVSA-N 2 1 249.358 1.840 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C)[NH3+])C[C@H]1C ZINC000442666664 387818674 /nfs/dbraw/zinc/81/86/74/387818674.db2.gz VWGNDIYRABCNMW-UTUOFQBUSA-N 2 1 213.369 1.138 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423105128 387891421 /nfs/dbraw/zinc/89/14/21/387891421.db2.gz BUOHGNLNRXMWBU-UKKRHICBSA-N 2 1 248.317 1.877 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423106460 387891864 /nfs/dbraw/zinc/89/18/64/387891864.db2.gz CVWIDPZNBWDDET-RNJOBUHISA-N 2 1 226.364 1.674 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423114945 387895270 /nfs/dbraw/zinc/89/52/70/387895270.db2.gz WMGOGYDSDDOZRI-AGIUHOORSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1CC(CC[NH2+][C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000423115401 387897039 /nfs/dbraw/zinc/89/70/39/387897039.db2.gz NFURSSCDWSGQBT-WZRBSPASSA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423073905 387875158 /nfs/dbraw/zinc/87/51/58/387875158.db2.gz SONWTBNHXVBDJS-WRWGMCAJSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423093085 387882867 /nfs/dbraw/zinc/88/28/67/387882867.db2.gz FSMKEKMGQCPDPR-JHEVNIALSA-N 2 1 208.349 1.763 20 0 BDADMP Cc1csc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000643460724 387885735 /nfs/dbraw/zinc/88/57/35/387885735.db2.gz MGXLGFNQTHJDDR-ONGXEEELSA-N 2 1 239.388 1.582 20 0 BDADMP C[C@@H]([NH2+]C[C@H](CO)C1CC1)c1c[nH+]ccc1N ZINC000423140317 387917785 /nfs/dbraw/zinc/91/77/85/387917785.db2.gz MJQAUSPJZSKZKS-MWLCHTKSSA-N 2 1 235.331 1.163 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423123859 387903130 /nfs/dbraw/zinc/90/31/30/387903130.db2.gz NOVPWLIEGXPVNJ-VXGBXAGGSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423126708 387905623 /nfs/dbraw/zinc/90/56/23/387905623.db2.gz SMFHBKLKEKXFBH-SCRDCRAPSA-N 2 1 246.354 1.893 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423126704 387905879 /nfs/dbraw/zinc/90/58/79/387905879.db2.gz SMFHBKLKEKXFBH-DYEKYZERSA-N 2 1 246.354 1.893 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])o1 ZINC000423131830 387908816 /nfs/dbraw/zinc/90/88/16/387908816.db2.gz OMUDKXCQQXSAJW-RKDXNWHRSA-N 2 1 225.336 1.761 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)CC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423135802 387913499 /nfs/dbraw/zinc/91/34/99/387913499.db2.gz ULHAEWJVCDEZGN-WXHSDQCUSA-N 2 1 226.364 1.268 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000423137315 387913978 /nfs/dbraw/zinc/91/39/78/387913978.db2.gz QTXXFCOYTVBETF-DRZSPHRISA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423152391 387929278 /nfs/dbraw/zinc/92/92/78/387929278.db2.gz FUQLFZCZSFDXSY-MDZLAQPJSA-N 2 1 236.363 1.081 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000423151057 387929688 /nfs/dbraw/zinc/92/96/88/387929688.db2.gz ZRPYUKRVAWMCPF-SDDRHHMPSA-N 2 1 214.353 1.532 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000423151859 387930317 /nfs/dbraw/zinc/93/03/17/387930317.db2.gz DAQJVEJBKFFXER-UMSGYPCISA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000423153283 387933100 /nfs/dbraw/zinc/93/31/00/387933100.db2.gz HJGBBNMUSQALAN-JHJVBQTASA-N 2 1 226.364 1.391 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000392198425 387934080 /nfs/dbraw/zinc/93/40/80/387934080.db2.gz WDDSFRVVPTVEEY-KBPBESRZSA-N 3 1 237.391 1.355 20 0 BDADMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423167114 387952003 /nfs/dbraw/zinc/95/20/03/387952003.db2.gz WMKSVEHKIYIEAZ-MGPQQGTHSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1c[nH+]ccc1N ZINC000423169885 387954345 /nfs/dbraw/zinc/95/43/45/387954345.db2.gz WUQXEOGYGKAPNF-VWYCJHECSA-N 2 1 235.331 1.712 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)nc1 ZINC000227353493 387956575 /nfs/dbraw/zinc/95/65/75/387956575.db2.gz GQIIEKVDFWHMDD-STQMWFEESA-N 2 1 233.359 1.949 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1c[nH+]ccc1N ZINC000423159088 387939599 /nfs/dbraw/zinc/93/95/99/387939599.db2.gz FFNKZMQITZZSNC-TVQRCGJNSA-N 2 1 235.331 1.306 20 0 BDADMP C[C@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162815 387945801 /nfs/dbraw/zinc/94/58/01/387945801.db2.gz QGBOLVFYZHZWJJ-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162815 387945806 /nfs/dbraw/zinc/94/58/06/387945806.db2.gz QGBOLVFYZHZWJJ-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245431106 387946394 /nfs/dbraw/zinc/94/63/94/387946394.db2.gz AMMUAVZBYRLIKI-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000423165919 387950917 /nfs/dbraw/zinc/95/09/17/387950917.db2.gz BSWXXPONSHVZBD-ZDEQEGDKSA-N 2 1 238.375 1.674 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2cncn2c1 ZINC000423172447 387959674 /nfs/dbraw/zinc/95/96/74/387959674.db2.gz SYCKXIODLJABKH-OCCSQVGLSA-N 2 1 244.342 1.551 20 0 BDADMP C[C@H]([NH2+][C@H]1CS[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423194994 387979180 /nfs/dbraw/zinc/97/91/80/387979180.db2.gz XCCTXTAKJXLJNV-YTWAJWBKSA-N 2 1 214.378 1.611 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192138 387977459 /nfs/dbraw/zinc/97/74/59/387977459.db2.gz PNQPUFPZAPUQDI-XQQFMLRXSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2N)CC[NH2+]1 ZINC000424362812 387990298 /nfs/dbraw/zinc/99/02/98/387990298.db2.gz AZSMRDQOSIHXBI-FDYHWXHSSA-N 2 1 225.380 1.234 20 0 BDADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423205083 387991777 /nfs/dbraw/zinc/99/17/77/387991777.db2.gz VGBOLNCYDCUUFC-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423205083 387991781 /nfs/dbraw/zinc/99/17/81/387991781.db2.gz VGBOLNCYDCUUFC-JHJVBQTASA-N 3 1 225.380 1.058 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423205083 387991784 /nfs/dbraw/zinc/99/17/84/387991784.db2.gz VGBOLNCYDCUUFC-JHJVBQTASA-N 3 1 225.380 1.058 20 0 BDADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213255 387995177 /nfs/dbraw/zinc/99/51/77/387995177.db2.gz NEDRTFWPBCOYMZ-MFKMUULPSA-N 2 1 248.374 1.744 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000156552066 387998252 /nfs/dbraw/zinc/99/82/52/387998252.db2.gz FQEGEXYBEFFCNQ-AVGNSLFASA-N 2 1 228.380 1.730 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000156552066 387998255 /nfs/dbraw/zinc/99/82/55/387998255.db2.gz FQEGEXYBEFFCNQ-AVGNSLFASA-N 2 1 228.380 1.730 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000423221687 388001580 /nfs/dbraw/zinc/00/15/80/388001580.db2.gz XQOCZJYYHVVVBH-RFQIPJPRSA-N 2 1 239.407 1.304 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000423221687 388001583 /nfs/dbraw/zinc/00/15/83/388001583.db2.gz XQOCZJYYHVVVBH-RFQIPJPRSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423225022 388006954 /nfs/dbraw/zinc/00/69/54/388006954.db2.gz KYMQDVICOKJUGU-AWEZNQCLSA-N 2 1 218.344 1.817 20 0 BDADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423225283 388006964 /nfs/dbraw/zinc/00/69/64/388006964.db2.gz MBHVUGDSAHSBBK-UMSGYPCISA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423225283 388006966 /nfs/dbraw/zinc/00/69/66/388006966.db2.gz MBHVUGDSAHSBBK-UMSGYPCISA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423225283 388006970 /nfs/dbraw/zinc/00/69/70/388006970.db2.gz MBHVUGDSAHSBBK-UMSGYPCISA-N 3 1 225.380 1.186 20 0 BDADMP C[NH2+]CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423225023 388007935 /nfs/dbraw/zinc/00/79/35/388007935.db2.gz KYMQDVICOKJUGU-CQSZACIVSA-N 2 1 218.344 1.817 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000453203522 388010382 /nfs/dbraw/zinc/01/03/82/388010382.db2.gz VBGIKEZKSKYSEF-KGLIPLIRSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000453203522 388010384 /nfs/dbraw/zinc/01/03/84/388010384.db2.gz VBGIKEZKSKYSEF-KGLIPLIRSA-N 2 1 240.391 1.611 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423240490 388024182 /nfs/dbraw/zinc/02/41/82/388024182.db2.gz HEAJNBVCWRKBCF-NILFDRSVSA-N 2 1 248.370 1.996 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252789917 135111187 /nfs/dbraw/zinc/11/11/87/135111187.db2.gz YHVYZVYHIKVTIX-WDEREUQCSA-N 2 1 200.326 1.081 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C12CCC2 ZINC000423239036 388022829 /nfs/dbraw/zinc/02/28/29/388022829.db2.gz ROYRPVLLAXJJDL-FRRDWIJNSA-N 2 1 238.375 1.676 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000423252501 388034241 /nfs/dbraw/zinc/03/42/41/388034241.db2.gz XSAWHABLTXVZPG-GHMZBOCLSA-N 2 1 200.326 1.001 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423251030 388034432 /nfs/dbraw/zinc/03/44/32/388034432.db2.gz VJGGAJAHOUCUHU-MELADBBJSA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423270006 388035678 /nfs/dbraw/zinc/03/56/78/388035678.db2.gz WGGOFZRSVMWWCH-DRZSPHRISA-N 2 1 226.364 1.661 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256080 388036684 /nfs/dbraw/zinc/03/66/84/388036684.db2.gz DJTGVOPWYRTZPQ-MGPQQGTHSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256080 388036686 /nfs/dbraw/zinc/03/66/86/388036686.db2.gz DJTGVOPWYRTZPQ-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423263047 388039862 /nfs/dbraw/zinc/03/98/62/388039862.db2.gz ALYYWSMUJOZNFT-WUHRBBMRSA-N 2 1 227.396 1.288 20 0 BDADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)[C@@H]1CCOC1 ZINC000423263197 388039882 /nfs/dbraw/zinc/03/98/82/388039882.db2.gz OCMUIZGXHJTIAS-UPJWGTAASA-N 2 1 228.380 1.765 20 0 BDADMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)[C@H]1CCOC1 ZINC000423263198 388040812 /nfs/dbraw/zinc/04/08/12/388040812.db2.gz OCMUIZGXHJTIAS-XQQFMLRXSA-N 2 1 228.380 1.765 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCOC[C@H]1C ZINC000423263179 388040893 /nfs/dbraw/zinc/04/08/93/388040893.db2.gz OABJCVWOQIECPE-UTUOFQBUSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000423261777 388040965 /nfs/dbraw/zinc/04/09/65/388040965.db2.gz KUZFCJNYULPPQG-IJLUTSLNSA-N 2 1 214.353 1.517 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000423262613 388041096 /nfs/dbraw/zinc/04/10/96/388041096.db2.gz MWHFHHLMPNSKRA-YNEHKIRRSA-N 2 1 228.380 1.765 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000423263455 388041501 /nfs/dbraw/zinc/04/15/01/388041501.db2.gz OKESIXIEFPORSE-UONOGXRCSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCSC1 ZINC000261527410 135151676 /nfs/dbraw/zinc/15/16/76/135151676.db2.gz AVZOJQYGYCJSHS-MXWKQRLJSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423265723 388043653 /nfs/dbraw/zinc/04/36/53/388043653.db2.gz RGHMBQXBOWGIAG-MRVWCRGKSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423265723 388043656 /nfs/dbraw/zinc/04/36/56/388043656.db2.gz RGHMBQXBOWGIAG-MRVWCRGKSA-N 2 1 239.407 1.434 20 0 BDADMP CNC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423265449 388043665 /nfs/dbraw/zinc/04/36/65/388043665.db2.gz RCMJRQPTNSKTIZ-JQWIXIFHSA-N 2 1 241.379 1.008 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527694 135151825 /nfs/dbraw/zinc/15/18/25/135151825.db2.gz GCSPEAWARRXHAX-AXFHLTTASA-N 2 1 214.378 1.409 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)C1CCSCC1 ZINC000423248458 388031292 /nfs/dbraw/zinc/03/12/92/388031292.db2.gz QNXSOEBWGWOJKH-SECBINFHSA-N 2 1 202.367 1.327 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000453278966 388031714 /nfs/dbraw/zinc/03/17/14/388031714.db2.gz DMPKCBRDQSIQEM-XQHKEYJVSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453362444 388059387 /nfs/dbraw/zinc/05/93/87/388059387.db2.gz RFFNKVPHQKLESH-DGAVXFQQSA-N 2 1 240.391 1.467 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1(C)C ZINC000423278708 388060212 /nfs/dbraw/zinc/06/02/12/388060212.db2.gz QIXJIPCWICLLLZ-IJLUTSLNSA-N 2 1 226.364 1.517 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453397109 388070643 /nfs/dbraw/zinc/07/06/43/388070643.db2.gz ZBQAVAXCPQCMDF-WUHRBBMRSA-N 2 1 226.364 1.077 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423288020 388072813 /nfs/dbraw/zinc/07/28/13/388072813.db2.gz PYGVFIRQOBNQGQ-NWDGAFQWSA-N 2 1 227.396 1.576 20 0 BDADMP CCC(N)(CC)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423290893 388075148 /nfs/dbraw/zinc/07/51/48/388075148.db2.gz FVSRXADLYVVTNE-LLVKDONJSA-N 2 1 215.385 1.611 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423295476 388077733 /nfs/dbraw/zinc/07/77/33/388077733.db2.gz APZIECAJNBAJQV-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCOC[C@@H]1C ZINC000423296499 388079003 /nfs/dbraw/zinc/07/90/03/388079003.db2.gz HCACCNWPDCZARO-QJPTWQEYSA-N 2 1 214.353 1.519 20 0 BDADMP COC1(CC[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000336659947 388087252 /nfs/dbraw/zinc/08/72/52/388087252.db2.gz QOPMWXIBVNSCKT-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H](O)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000118946532 388099709 /nfs/dbraw/zinc/09/97/09/388099709.db2.gz JBTDPOFJKGJVML-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000086662955 388105233 /nfs/dbraw/zinc/10/52/33/388105233.db2.gz UVSWNQGCOZYONI-LBPRGKRZSA-N 2 1 221.348 1.949 20 0 BDADMP Cc1ncsc1CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638177 388105252 /nfs/dbraw/zinc/10/52/52/388105252.db2.gz QQMAAIABSILKRM-UHFFFAOYSA-N 2 1 241.404 1.911 20 0 BDADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000086871361 388109426 /nfs/dbraw/zinc/10/94/26/388109426.db2.gz SKQIFWHEGOZGIF-RDBSUJKOSA-N 2 1 238.375 1.772 20 0 BDADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000086871361 388109427 /nfs/dbraw/zinc/10/94/27/388109427.db2.gz SKQIFWHEGOZGIF-RDBSUJKOSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423269132 388047623 /nfs/dbraw/zinc/04/76/23/388047623.db2.gz GREAMFRDGUILDQ-QJPTWQEYSA-N 2 1 225.380 1.057 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423269132 388047626 /nfs/dbraw/zinc/04/76/26/388047626.db2.gz GREAMFRDGUILDQ-QJPTWQEYSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423270829 388048734 /nfs/dbraw/zinc/04/87/34/388048734.db2.gz WZOLYKKRSKAWEX-YPMHNXCESA-N 3 1 227.396 1.611 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423270828 388048852 /nfs/dbraw/zinc/04/88/52/388048852.db2.gz WZOLYKKRSKAWEX-WCQYABFASA-N 3 1 227.396 1.611 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527695 135151960 /nfs/dbraw/zinc/15/19/60/135151960.db2.gz GCSPEAWARRXHAX-HBNTYKKESA-N 2 1 214.378 1.409 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423269605 388049717 /nfs/dbraw/zinc/04/97/17/388049717.db2.gz VXIJHSVNEMPMBT-FRRDWIJNSA-N 2 1 227.396 1.432 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CCC[NH2+]C1 ZINC000261528386 135153284 /nfs/dbraw/zinc/15/32/84/135153284.db2.gz LEEJGFDHUZAASU-JTQLQIEISA-N 2 1 200.326 1.001 20 0 BDADMP CCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103320 388143087 /nfs/dbraw/zinc/14/30/87/388143087.db2.gz BWZHTJXXIBWSNR-UHFFFAOYSA-N 2 1 212.337 1.193 20 0 BDADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CC1)CCO2 ZINC000646104625 388143517 /nfs/dbraw/zinc/14/35/17/388143517.db2.gz IPAHHJWUCUEDMW-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP CCc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000450437972 388255993 /nfs/dbraw/zinc/25/59/93/388255993.db2.gz JICUTYCLRQHYFK-AWEZNQCLSA-N 2 1 247.342 1.165 20 0 BDADMP CCc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000450437972 388255995 /nfs/dbraw/zinc/25/59/95/388255995.db2.gz JICUTYCLRQHYFK-AWEZNQCLSA-N 2 1 247.342 1.165 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CSC)CC1 ZINC000488577817 388188963 /nfs/dbraw/zinc/18/89/63/388188963.db2.gz QAFULTUNNMSOPN-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CSC)CC1 ZINC000488577817 388188965 /nfs/dbraw/zinc/18/89/65/388188965.db2.gz QAFULTUNNMSOPN-GFCCVEGCSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000488742032 388192461 /nfs/dbraw/zinc/19/24/61/388192461.db2.gz DIDIAPWMNBDSDF-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CCCO)[C@H](C)C1 ZINC000449409475 388197365 /nfs/dbraw/zinc/19/73/65/388197365.db2.gz UBTXZCLWNWAYPQ-MCIONIFRSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1nccn1CC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489188038 388205494 /nfs/dbraw/zinc/20/54/94/388205494.db2.gz LLDMAMKIZSQCMA-ZDUSSCGKSA-N 2 1 235.331 1.038 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC)COC2)[C@@H](C)C1 ZINC000449596902 388239460 /nfs/dbraw/zinc/23/94/60/388239460.db2.gz CSEQOOGJLICHIH-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CO[C@H]1CC[N@@H+](CCCn2ccnc2)C[C@@H]1C ZINC000451565760 388282268 /nfs/dbraw/zinc/28/22/68/388282268.db2.gz LVHVXQWKNIEOMM-STQMWFEESA-N 2 1 237.347 1.630 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000451452487 388275127 /nfs/dbraw/zinc/27/51/27/388275127.db2.gz GXTCGMLTWMYJAW-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000451452487 388275128 /nfs/dbraw/zinc/27/51/28/388275128.db2.gz GXTCGMLTWMYJAW-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CCSCC[NH2+]CCCn1cc[nH+]c1C ZINC000275711537 388345701 /nfs/dbraw/zinc/34/57/01/388345701.db2.gz LAJYDULBZVDMPK-UHFFFAOYSA-N 2 1 227.377 1.924 20 0 BDADMP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000300066180 388348833 /nfs/dbraw/zinc/34/88/33/388348833.db2.gz QBMLAGXPFHSJDH-YUTCNCBUSA-N 2 1 248.374 1.022 20 0 BDADMP CC[C@H]1C[C@@H](C)C[N@H+]1CCOCC[NH3+] ZINC000261532131 135162193 /nfs/dbraw/zinc/16/21/93/135162193.db2.gz JGWGEBSUFODTCK-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)c1cccnc1)C[NH+](C)C ZINC000293655453 388357198 /nfs/dbraw/zinc/35/71/98/388357198.db2.gz LPDJUKIMZNZKFJ-RYUDHWBXSA-N 2 1 221.348 1.930 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1 ZINC000235458587 388369464 /nfs/dbraw/zinc/36/94/64/388369464.db2.gz FCCJWOISZBUZSD-NWDGAFQWSA-N 2 1 206.333 1.945 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cccnc2)C1 ZINC000235709189 388374931 /nfs/dbraw/zinc/37/49/31/388374931.db2.gz NETDMHOMXXSGKS-GFCCVEGCSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccnc2)C1 ZINC000235709189 388374933 /nfs/dbraw/zinc/37/49/33/388374933.db2.gz NETDMHOMXXSGKS-GFCCVEGCSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000572881771 388384959 /nfs/dbraw/zinc/38/49/59/388384959.db2.gz NZDMEHXOOWSHMR-UXOAXIEHSA-N 2 1 248.370 1.712 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1C[NH+](C)C[C@@H]1C ZINC000516605645 388386107 /nfs/dbraw/zinc/38/61/07/388386107.db2.gz OCQQGRMSXLJXLU-MJBXVCDLSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000516605645 388386111 /nfs/dbraw/zinc/38/61/11/388386111.db2.gz OCQQGRMSXLJXLU-MJBXVCDLSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000516605645 388386113 /nfs/dbraw/zinc/38/61/13/388386113.db2.gz OCQQGRMSXLJXLU-MJBXVCDLSA-N 2 1 241.423 1.647 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300825245 388395927 /nfs/dbraw/zinc/39/59/27/388395927.db2.gz GSWHNBYKLKMRND-UWVGGRQHSA-N 2 1 218.291 1.845 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300825245 388395929 /nfs/dbraw/zinc/39/59/29/388395929.db2.gz GSWHNBYKLKMRND-UWVGGRQHSA-N 2 1 218.291 1.845 20 0 BDADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000315825889 388403027 /nfs/dbraw/zinc/40/30/27/388403027.db2.gz ZKZYZLBHTXXBIZ-MELADBBJSA-N 2 1 238.375 1.364 20 0 BDADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000322653578 388443281 /nfs/dbraw/zinc/44/32/81/388443281.db2.gz YGNCBULPZXMSTR-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322705333 388443824 /nfs/dbraw/zinc/44/38/24/388443824.db2.gz MUMGSSRYJHPZGV-ZZIFITQXSA-N 2 1 240.416 1.953 20 0 BDADMP C[C@@H](O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308635940 388446512 /nfs/dbraw/zinc/44/65/12/388446512.db2.gz POSWOCGBTSVUCX-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000322775337 388447499 /nfs/dbraw/zinc/44/74/99/388447499.db2.gz JLKFIDCVCUUKGS-TVYUQYBPSA-N 2 1 247.342 1.245 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCC(C)(C)C1)C1CC1 ZINC000336659587 388460301 /nfs/dbraw/zinc/46/03/01/388460301.db2.gz NGRFVYFJAGBNAX-LBPRGKRZSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(C)(C)C1)C1CC1 ZINC000336659587 388460302 /nfs/dbraw/zinc/46/03/02/388460302.db2.gz NGRFVYFJAGBNAX-LBPRGKRZSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CCC(C)(C)C1)C1CC1 ZINC000336659587 388460304 /nfs/dbraw/zinc/46/03/04/388460304.db2.gz NGRFVYFJAGBNAX-LBPRGKRZSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CCC(C)(C)C1)C1CC1 ZINC000336659587 388460306 /nfs/dbraw/zinc/46/03/06/388460306.db2.gz NGRFVYFJAGBNAX-LBPRGKRZSA-N 2 1 226.364 1.173 20 0 BDADMP CN(C[C@@H](O)C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000336713243 388466294 /nfs/dbraw/zinc/46/62/94/388466294.db2.gz OJJRJQAVIJKLJA-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000336713243 388466295 /nfs/dbraw/zinc/46/62/95/388466295.db2.gz OJJRJQAVIJKLJA-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000336713243 388466298 /nfs/dbraw/zinc/46/62/98/388466298.db2.gz OJJRJQAVIJKLJA-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CCCCC1)C1CC1 ZINC000336713243 388466301 /nfs/dbraw/zinc/46/63/01/388466301.db2.gz OJJRJQAVIJKLJA-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000336713243 388466302 /nfs/dbraw/zinc/46/63/02/388466302.db2.gz OJJRJQAVIJKLJA-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]([NH3+])CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000261538213 135175427 /nfs/dbraw/zinc/17/54/27/135175427.db2.gz XMJICVSSEPZGPS-NWDGAFQWSA-N 2 1 213.369 1.140 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573058836 388414685 /nfs/dbraw/zinc/41/46/85/388414685.db2.gz FIERLNXUEIDLDO-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000316625171 388419671 /nfs/dbraw/zinc/41/96/71/388419671.db2.gz SCSRSGMHLPTSDF-CYZMBNFOSA-N 2 1 226.364 1.268 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000573213038 388432790 /nfs/dbraw/zinc/43/27/90/388432790.db2.gz TVNYUCQZQVWYAC-KBPBESRZSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1n[nH]cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246084526 388438361 /nfs/dbraw/zinc/43/83/61/388438361.db2.gz ICNPOURVXWHZOJ-JSGCOSHPSA-N 2 1 248.374 1.634 20 0 BDADMP C[C@H](O)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921680 388541443 /nfs/dbraw/zinc/54/14/43/388541443.db2.gz KCPMUAHSLYFXKH-ICIURTGMSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H](O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921680 388541446 /nfs/dbraw/zinc/54/14/46/388541446.db2.gz KCPMUAHSLYFXKH-ICIURTGMSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H](O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921680 388541449 /nfs/dbraw/zinc/54/14/49/388541449.db2.gz KCPMUAHSLYFXKH-ICIURTGMSA-N 2 1 240.391 1.704 20 0 BDADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353625288 388542440 /nfs/dbraw/zinc/54/24/40/388542440.db2.gz FXUDARNSPPVKCO-CHWSQXEVSA-N 2 1 234.347 1.169 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CCOC1 ZINC000339409392 388482725 /nfs/dbraw/zinc/48/27/25/388482725.db2.gz LZIWAJMCJBPEEM-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H]([NH2+]CC1=CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000397613139 388484100 /nfs/dbraw/zinc/48/41/00/388484100.db2.gz CYEBCWBUFXAFOX-WCQYABFASA-N 2 1 224.348 1.453 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000340489108 388490607 /nfs/dbraw/zinc/49/06/07/388490607.db2.gz QSWZKFMVCFSLNF-OIMNJJJWSA-N 2 1 240.391 1.730 20 0 BDADMP CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)COC1 ZINC000343634798 388502020 /nfs/dbraw/zinc/50/20/20/388502020.db2.gz VEGNQODASSVAHV-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000356677985 388549527 /nfs/dbraw/zinc/54/95/27/388549527.db2.gz DXJUJPGQRSFIOE-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCn3ccnc32)CC[N@H+]1C ZINC000345346641 388511999 /nfs/dbraw/zinc/51/19/99/388511999.db2.gz KDJMSDDPPZODKZ-UTUOFQBUSA-N 2 1 234.347 1.400 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](CO)C2)CC1 ZINC000348757726 388528401 /nfs/dbraw/zinc/52/84/01/388528401.db2.gz WRKONDVDICNADT-OLZOCXBDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)[C@@H]1C[NH3+] ZINC000252138659 388604878 /nfs/dbraw/zinc/60/48/78/388604878.db2.gz LWOYAEVYXFKKFQ-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)[C@@H]1C[NH3+] ZINC000252138659 388604882 /nfs/dbraw/zinc/60/48/82/388604882.db2.gz LWOYAEVYXFKKFQ-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000222155005 388613863 /nfs/dbraw/zinc/61/38/63/388613863.db2.gz MEDJTOAWBDPJKE-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528760268 388567860 /nfs/dbraw/zinc/56/78/60/388567860.db2.gz JQUXOCJUTOXDDJ-ZPFDUUQYSA-N 2 1 237.347 1.593 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000252712597 388574788 /nfs/dbraw/zinc/57/47/88/388574788.db2.gz MUYLLRQJQFBHQE-GXTWGEPZSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000252712597 388574791 /nfs/dbraw/zinc/57/47/91/388574791.db2.gz MUYLLRQJQFBHQE-GXTWGEPZSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000248170974 388674480 /nfs/dbraw/zinc/67/44/80/388674480.db2.gz USUKVTKOCDWPBC-XQQFMLRXSA-N 2 1 226.364 1.343 20 0 BDADMP CN(CCC[NH+](C)C)c1[nH+]cnc2[nH]ccc21 ZINC000538292896 388682764 /nfs/dbraw/zinc/68/27/64/388682764.db2.gz CKVZCPDLZZTDTR-UHFFFAOYSA-N 2 1 233.319 1.346 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000125970249 388684324 /nfs/dbraw/zinc/68/43/24/388684324.db2.gz NXZWWQQXFVMHTP-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000125970249 388684328 /nfs/dbraw/zinc/68/43/28/388684328.db2.gz NXZWWQQXFVMHTP-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP [NH3+]CC1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530217643 388629901 /nfs/dbraw/zinc/62/99/01/388629901.db2.gz URWNAXHJPDWMLU-WXRRBKDZSA-N 2 1 237.391 1.378 20 0 BDADMP CC(C)[C@H]1CNCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000530229338 388637081 /nfs/dbraw/zinc/63/70/81/388637081.db2.gz NIYGSRWBCLUWIO-UONOGXRCSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000530229338 388637082 /nfs/dbraw/zinc/63/70/82/388637082.db2.gz NIYGSRWBCLUWIO-UONOGXRCSA-N 2 1 239.407 1.306 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000083397617 388638992 /nfs/dbraw/zinc/63/89/92/388638992.db2.gz NLQZLEHFWRJCRE-CHWSQXEVSA-N 2 1 228.380 1.589 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCO)[C@@H](C)C1 ZINC000246944910 388654702 /nfs/dbraw/zinc/65/47/02/388654702.db2.gz HCNHUGKKHGTDTL-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)COC)C1 ZINC000248587530 388685631 /nfs/dbraw/zinc/68/56/31/388685631.db2.gz WYHFLRGKIWMARJ-NWDGAFQWSA-N 2 1 214.353 1.200 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC[N@H+]1C ZINC000223683125 388656732 /nfs/dbraw/zinc/65/67/32/388656732.db2.gz IPCUVCUCRHZGBG-UPJWGTAASA-N 2 1 242.407 1.856 20 0 BDADMP COC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247084270 388658608 /nfs/dbraw/zinc/65/86/08/388658608.db2.gz PBUDYIKSXBVXIW-HZSPNIEDSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)COC)[C@@H](C)C1 ZINC000247161022 388660030 /nfs/dbraw/zinc/66/00/30/388660030.db2.gz UEJRSMKBGCPYOA-AGIUHOORSA-N 2 1 228.380 1.589 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)O)[C@@H](C)C1 ZINC000247259924 388660826 /nfs/dbraw/zinc/66/08/26/388660826.db2.gz ZTPMKOLFQFEDGW-WDEREUQCSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000247213720 388661011 /nfs/dbraw/zinc/66/10/11/388661011.db2.gz MAVGQAZEPRSWMW-QWHCGFSZSA-N 2 1 208.349 1.979 20 0 BDADMP COC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124324275 388662696 /nfs/dbraw/zinc/66/26/96/388662696.db2.gz JQZQZIQXUXQWTA-JHJVBQTASA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124324275 388662700 /nfs/dbraw/zinc/66/27/00/388662700.db2.gz JQZQZIQXUXQWTA-JHJVBQTASA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124324275 388662701 /nfs/dbraw/zinc/66/27/01/388662701.db2.gz JQZQZIQXUXQWTA-JHJVBQTASA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124324275 388662704 /nfs/dbraw/zinc/66/27/04/388662704.db2.gz JQZQZIQXUXQWTA-JHJVBQTASA-N 2 1 228.380 1.683 20 0 BDADMP CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247391366 388663143 /nfs/dbraw/zinc/66/31/43/388663143.db2.gz VXDYQOGBMBFZCG-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247391366 388663145 /nfs/dbraw/zinc/66/31/45/388663145.db2.gz VXDYQOGBMBFZCG-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247391366 388663147 /nfs/dbraw/zinc/66/31/47/388663147.db2.gz VXDYQOGBMBFZCG-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247391366 388663150 /nfs/dbraw/zinc/66/31/50/388663150.db2.gz VXDYQOGBMBFZCG-WOPDTQHZSA-N 2 1 214.353 1.172 20 0 BDADMP COC[C@H](C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249950317 388735114 /nfs/dbraw/zinc/73/51/14/388735114.db2.gz VBJPMPNBESIIGU-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP COC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000249950317 388735116 /nfs/dbraw/zinc/73/51/16/388735116.db2.gz VBJPMPNBESIIGU-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000249950317 388735119 /nfs/dbraw/zinc/73/51/19/388735119.db2.gz VBJPMPNBESIIGU-UPJWGTAASA-N 2 1 226.364 1.437 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000226980273 388735650 /nfs/dbraw/zinc/73/56/50/388735650.db2.gz WEHRCZWJISNBRA-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000226980273 388735653 /nfs/dbraw/zinc/73/56/53/388735653.db2.gz WEHRCZWJISNBRA-YPMHNXCESA-N 2 1 219.332 1.702 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251254625 388746652 /nfs/dbraw/zinc/74/66/52/388746652.db2.gz VAHAWEQVYJWPDO-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223288421 388690284 /nfs/dbraw/zinc/69/02/84/388690284.db2.gz VEXUQNIEEMTNRC-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000552338807 388694245 /nfs/dbraw/zinc/69/42/45/388694245.db2.gz PYBUBPNGHAQMNQ-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000552338807 388694248 /nfs/dbraw/zinc/69/42/48/388694248.db2.gz PYBUBPNGHAQMNQ-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000552357681 388696822 /nfs/dbraw/zinc/69/68/22/388696822.db2.gz MKVLRXMCBJDUAE-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@@H](C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552357681 388696824 /nfs/dbraw/zinc/69/68/24/388696824.db2.gz MKVLRXMCBJDUAE-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@@H](C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552357681 388696825 /nfs/dbraw/zinc/69/68/25/388696825.db2.gz MKVLRXMCBJDUAE-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000249160972 388711949 /nfs/dbraw/zinc/71/19/49/388711949.db2.gz YWMZWJDEXLUWDA-BZPMIXESSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000249188098 388711978 /nfs/dbraw/zinc/71/19/78/388711978.db2.gz MAFHMEBIIJDDJF-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326934 388716314 /nfs/dbraw/zinc/71/63/14/388716314.db2.gz NTCGGVFHTUSYOR-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249769180 388733090 /nfs/dbraw/zinc/73/30/90/388733090.db2.gz JFGGHWWMLBSGSR-RYUDHWBXSA-N 2 1 214.353 1.152 20 0 BDADMP Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000228298977 388804254 /nfs/dbraw/zinc/80/42/54/388804254.db2.gz OYQUDKCQHDUMOI-RISCZKNCSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1cccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)n1 ZINC000228298977 388804256 /nfs/dbraw/zinc/80/42/56/388804256.db2.gz OYQUDKCQHDUMOI-RISCZKNCSA-N 2 1 233.359 1.820 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@H+]1C ZINC000252153054 388761998 /nfs/dbraw/zinc/76/19/98/388761998.db2.gz OUXZEPNDYLYBML-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000252715760 388774680 /nfs/dbraw/zinc/77/46/80/388774680.db2.gz WPYFGEUTBKWEAK-QWHCGFSZSA-N 2 1 236.363 1.203 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000252715759 388775154 /nfs/dbraw/zinc/77/51/54/388775154.db2.gz WPYFGEUTBKWEAK-CHWSQXEVSA-N 2 1 236.363 1.203 20 0 BDADMP COCCC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000129462565 388844235 /nfs/dbraw/zinc/84/42/35/388844235.db2.gz UYJFNVLEVMYVQJ-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](C)C2)CC1 ZINC000228757929 388823049 /nfs/dbraw/zinc/82/30/49/388823049.db2.gz WQUJYQLDJUORIL-AWEZNQCLSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000228757929 388823051 /nfs/dbraw/zinc/82/30/51/388823051.db2.gz WQUJYQLDJUORIL-AWEZNQCLSA-N 2 1 239.407 1.401 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CCCCCC2)C1 ZINC000093215395 388829757 /nfs/dbraw/zinc/82/97/57/388829757.db2.gz XDJQVXFXPYHIKP-ZIAGYGMSSA-N 2 1 239.407 1.722 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)CC[N@H+]1C ZINC000094722725 388867755 /nfs/dbraw/zinc/86/77/55/388867755.db2.gz VCZOAAWYHUSMKC-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@H](NCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000129810500 388871801 /nfs/dbraw/zinc/87/18/01/388871801.db2.gz JJAIQDMKPHJXOE-UONOGXRCSA-N 2 1 239.407 1.545 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000565159561 388918282 /nfs/dbraw/zinc/91/82/82/388918282.db2.gz ZYDBEDKIRSORIH-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000565159561 388918289 /nfs/dbraw/zinc/91/82/89/388918289.db2.gz ZYDBEDKIRSORIH-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000565159561 388918295 /nfs/dbraw/zinc/91/82/95/388918295.db2.gz ZYDBEDKIRSORIH-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000565159561 388918285 /nfs/dbraw/zinc/91/82/85/388918285.db2.gz ZYDBEDKIRSORIH-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000565159561 388918292 /nfs/dbraw/zinc/91/82/92/388918292.db2.gz ZYDBEDKIRSORIH-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)[NH2+]C1(CO)CC[NH+](CC2CC2)CC1 ZINC000565162827 388920013 /nfs/dbraw/zinc/92/00/13/388920013.db2.gz ISINLDBIMMVVBQ-UHFFFAOYSA-N 2 1 226.364 1.221 20 0 BDADMP COC(=O)CC1(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000564988280 388905202 /nfs/dbraw/zinc/90/52/02/388905202.db2.gz XSDDRFSZYNOSKC-NSHDSACASA-N 2 1 240.347 1.000 20 0 BDADMP COC(=O)CC1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000564988280 388905204 /nfs/dbraw/zinc/90/52/04/388905204.db2.gz XSDDRFSZYNOSKC-NSHDSACASA-N 2 1 240.347 1.000 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000565784159 388969648 /nfs/dbraw/zinc/96/96/48/388969648.db2.gz UXTXVZFZIIUEBM-VXGBXAGGSA-N 2 1 230.396 1.713 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CC2(O)CCC2)C1 ZINC000566112325 388987890 /nfs/dbraw/zinc/98/78/90/388987890.db2.gz MTZLWPDQXVOVFK-CYBMUJFWSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000565784151 388970498 /nfs/dbraw/zinc/97/04/98/388970498.db2.gz UXTXVZFZIIUEBM-NEPJUHHUSA-N 2 1 230.396 1.713 20 0 BDADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000268785152 389005003 /nfs/dbraw/zinc/00/50/03/389005003.db2.gz DOTAWAHFBHZOTO-GFCCVEGCSA-N 2 1 207.321 1.970 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(O)c2)CC1 ZINC000271801563 389025025 /nfs/dbraw/zinc/02/50/25/389025025.db2.gz IXMOFGHMTYFMQU-UHFFFAOYSA-N 2 1 232.327 1.744 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)CC[N@H+]1C ZINC000400587366 533647579 /nfs/dbraw/zinc/64/75/79/533647579.db2.gz NWUJHAHOJSJWDS-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cn1 ZINC000062070516 533666209 /nfs/dbraw/zinc/66/62/09/533666209.db2.gz AKUAPOLTWJIMKQ-UHFFFAOYSA-N 2 1 246.314 1.385 20 0 BDADMP Cc1cc(N2CCCC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000044559355 132225125 /nfs/dbraw/zinc/22/51/25/132225125.db2.gz SLYDHBZPBRNSDW-NSHDSACASA-N 2 1 220.320 1.411 20 0 BDADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000333902419 132245564 /nfs/dbraw/zinc/24/55/64/132245564.db2.gz IZOCQHGAPZUZMN-ONGXEEELSA-N 2 1 243.314 1.146 20 0 BDADMP CC(C)[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000335951366 134021812 /nfs/dbraw/zinc/02/18/12/134021812.db2.gz SFBMIWNZMOVQEQ-OCCSQVGLSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000335951366 134021813 /nfs/dbraw/zinc/02/18/13/134021813.db2.gz SFBMIWNZMOVQEQ-OCCSQVGLSA-N 2 1 239.407 1.399 20 0 BDADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC[NH2+]CC1 ZINC000336080588 134075282 /nfs/dbraw/zinc/07/52/82/134075282.db2.gz BCDAHUUMDYQZRG-PBWFPOADSA-N 2 1 238.375 1.364 20 0 BDADMP COC1CC([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000352194455 134098096 /nfs/dbraw/zinc/09/80/96/134098096.db2.gz JXHWAKGQORFCBE-UHFFFAOYSA-N 2 1 237.347 1.691 20 0 BDADMP CC[NH2+]Cc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000167892102 134154249 /nfs/dbraw/zinc/15/42/49/134154249.db2.gz OVXOOODFJTYAIE-UHFFFAOYSA-N 2 1 235.331 1.296 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)c2ccccc21 ZINC000169246433 134249912 /nfs/dbraw/zinc/24/99/12/134249912.db2.gz SPKMGYPXRPRFBG-OASPWFOLSA-N 2 1 218.300 1.510 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCC(=O)OC)C1 ZINC000173886732 134278508 /nfs/dbraw/zinc/27/85/08/134278508.db2.gz VYHPZEFDWCBEFJ-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)OC)C1 ZINC000173886732 134278509 /nfs/dbraw/zinc/27/85/09/134278509.db2.gz VYHPZEFDWCBEFJ-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)OC)C1 ZINC000173886732 134278510 /nfs/dbraw/zinc/27/85/10/134278510.db2.gz VYHPZEFDWCBEFJ-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)OC)C1 ZINC000173886732 134278511 /nfs/dbraw/zinc/27/85/11/134278511.db2.gz VYHPZEFDWCBEFJ-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP COCCOCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000175716392 134286817 /nfs/dbraw/zinc/28/68/17/134286817.db2.gz SPLNXKPOOZKIJG-OLZOCXBDSA-N 2 1 244.379 1.064 20 0 BDADMP COCCOCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000175716392 134286818 /nfs/dbraw/zinc/28/68/18/134286818.db2.gz SPLNXKPOOZKIJG-OLZOCXBDSA-N 2 1 244.379 1.064 20 0 BDADMP COCCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000175716392 134286819 /nfs/dbraw/zinc/28/68/19/134286819.db2.gz SPLNXKPOOZKIJG-OLZOCXBDSA-N 2 1 244.379 1.064 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC1 ZINC000178520924 134308206 /nfs/dbraw/zinc/30/82/06/134308206.db2.gz DUBLSVVVXKUXEB-LBPRGKRZSA-N 2 1 240.391 1.611 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222353060 134330270 /nfs/dbraw/zinc/33/02/70/134330270.db2.gz QIACHTAZQDGYER-HBNTYKKESA-N 2 1 216.394 1.668 20 0 BDADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000226488884 134364143 /nfs/dbraw/zinc/36/41/43/134364143.db2.gz SKQIFWHEGOZGIF-MGPQQGTHSA-N 2 1 238.375 1.772 20 0 BDADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000226488884 134364144 /nfs/dbraw/zinc/36/41/44/134364144.db2.gz SKQIFWHEGOZGIF-MGPQQGTHSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000227498030 134381319 /nfs/dbraw/zinc/38/13/19/134381319.db2.gz KVWITQRRDQIXAV-CMPLNLGQSA-N 2 1 234.347 1.988 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000227498030 134381320 /nfs/dbraw/zinc/38/13/20/134381320.db2.gz KVWITQRRDQIXAV-CMPLNLGQSA-N 2 1 234.347 1.988 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227543081 134383613 /nfs/dbraw/zinc/38/36/13/134383613.db2.gz GJCKZKZVNWSPTN-WQAKAFBOSA-N 2 1 220.316 1.492 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1CO ZINC000248917547 135025964 /nfs/dbraw/zinc/02/59/64/135025964.db2.gz KCNOYJUZTFCMEO-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1CO ZINC000248917547 135025965 /nfs/dbraw/zinc/02/59/65/135025965.db2.gz KCNOYJUZTFCMEO-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1CO ZINC000248917547 135025966 /nfs/dbraw/zinc/02/59/66/135025966.db2.gz KCNOYJUZTFCMEO-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1O ZINC000249131793 135035213 /nfs/dbraw/zinc/03/52/13/135035213.db2.gz LVWXDBGESYONLL-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@H]1O ZINC000249131793 135035214 /nfs/dbraw/zinc/03/52/14/135035214.db2.gz LVWXDBGESYONLL-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@H]1O ZINC000249131793 135035216 /nfs/dbraw/zinc/03/52/16/135035216.db2.gz LVWXDBGESYONLL-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250420059 135055121 /nfs/dbraw/zinc/05/51/21/135055121.db2.gz ZWYLMAQYPNRQTA-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000250870803 135060506 /nfs/dbraw/zinc/06/05/06/135060506.db2.gz SKQIFWHEGOZGIF-HZSPNIEDSA-N 2 1 238.375 1.772 20 0 BDADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000250870803 135060507 /nfs/dbraw/zinc/06/05/07/135060507.db2.gz SKQIFWHEGOZGIF-HZSPNIEDSA-N 2 1 238.375 1.772 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251127697 135064323 /nfs/dbraw/zinc/06/43/23/135064323.db2.gz SROXFHWZBBOLIB-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251494966 135069997 /nfs/dbraw/zinc/06/99/97/135069997.db2.gz JRWQOLWWUOKJTH-MCIONIFRSA-N 2 1 248.374 1.488 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@H]1CCCO1 ZINC000251718735 135075562 /nfs/dbraw/zinc/07/55/62/135075562.db2.gz BXRHWIHVIRVCFW-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)[C@@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000086435844 135084323 /nfs/dbraw/zinc/08/43/23/135084323.db2.gz UUDMCUOXMUCBKN-CYBMUJFWSA-N 2 1 228.380 1.720 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C1CCCCCC1 ZINC000086435419 135084730 /nfs/dbraw/zinc/08/47/30/135084730.db2.gz AAUBSLNKTIFXAH-UHFFFAOYSA-N 2 1 214.353 1.616 20 0 BDADMP C[C@@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000252458296 135090010 /nfs/dbraw/zinc/09/00/10/135090010.db2.gz XMVYJXFRDBCHPA-NDBYEHHHSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)C ZINC000252458296 135090011 /nfs/dbraw/zinc/09/00/11/135090011.db2.gz XMVYJXFRDBCHPA-NDBYEHHHSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)C ZINC000252458296 135090012 /nfs/dbraw/zinc/09/00/12/135090012.db2.gz XMVYJXFRDBCHPA-NDBYEHHHSA-N 2 1 227.396 1.255 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252552980 135092385 /nfs/dbraw/zinc/09/23/85/135092385.db2.gz QSEDXXALCTVNDE-XDQVBPFNSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252552980 135092386 /nfs/dbraw/zinc/09/23/86/135092386.db2.gz QSEDXXALCTVNDE-XDQVBPFNSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086725379 135095098 /nfs/dbraw/zinc/09/50/98/135095098.db2.gz SPHZGKPGBSCXBW-OCCSQVGLSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252682960 135095803 /nfs/dbraw/zinc/09/58/03/135095803.db2.gz CYQVCAKMRKWFNU-JWURUJNWSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252682960 135095805 /nfs/dbraw/zinc/09/58/05/135095805.db2.gz CYQVCAKMRKWFNU-JWURUJNWSA-N 2 1 238.375 1.769 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000252675228 135095839 /nfs/dbraw/zinc/09/58/39/135095839.db2.gz YSVXISZSSYYNNN-KBPBESRZSA-N 2 1 231.343 1.798 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000252675228 135095840 /nfs/dbraw/zinc/09/58/40/135095840.db2.gz YSVXISZSSYYNNN-KBPBESRZSA-N 2 1 231.343 1.798 20 0 BDADMP C[C@@H]1SCC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000252690017 135096597 /nfs/dbraw/zinc/09/65/97/135096597.db2.gz SXSJKYREIGUMPP-SRVKXCTJSA-N 2 1 228.405 1.812 20 0 BDADMP CCOCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698144 135098004 /nfs/dbraw/zinc/09/80/04/135098004.db2.gz LHTWJDQJAFYMFG-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000086934790 135102982 /nfs/dbraw/zinc/10/29/82/135102982.db2.gz WTKRRYSWCPPYKB-KOLCDFICSA-N 2 1 214.378 1.564 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252730604 135103774 /nfs/dbraw/zinc/10/37/74/135103774.db2.gz MCIKLZZUXMBKOU-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000252771520 135108261 /nfs/dbraw/zinc/10/82/61/135108261.db2.gz UPMSQWFCCIAHLW-BJDJZHNGSA-N 2 1 214.353 1.218 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000252771520 135108262 /nfs/dbraw/zinc/10/82/62/135108262.db2.gz UPMSQWFCCIAHLW-BJDJZHNGSA-N 2 1 214.353 1.218 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252770884 135108464 /nfs/dbraw/zinc/10/84/64/135108464.db2.gz LGRBKLUTXMBCKX-GARJFASQSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252769802 135108951 /nfs/dbraw/zinc/10/89/51/135108951.db2.gz KRSCNJXARALWMJ-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252842104 135112855 /nfs/dbraw/zinc/11/28/55/135112855.db2.gz CKRMYMMEBZFVAF-AEGPPILISA-N 2 1 245.370 1.949 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252959046 135117451 /nfs/dbraw/zinc/11/74/51/135117451.db2.gz LRUYEFBXEIFNMJ-KTCIRNNBSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000253016290 135119508 /nfs/dbraw/zinc/11/95/08/135119508.db2.gz HETXUOGAPBDYNE-WOPDTQHZSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000253016290 135119510 /nfs/dbraw/zinc/11/95/10/135119510.db2.gz HETXUOGAPBDYNE-WOPDTQHZSA-N 2 1 225.380 1.151 20 0 BDADMP [NH3+]CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000262896201 135123742 /nfs/dbraw/zinc/12/37/42/135123742.db2.gz CZYFYCNUCRKOAA-CQSZACIVSA-N 2 1 234.343 1.484 20 0 BDADMP [NH3+]CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000262896201 135123744 /nfs/dbraw/zinc/12/37/44/135123744.db2.gz CZYFYCNUCRKOAA-CQSZACIVSA-N 2 1 234.343 1.484 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253250406 135125609 /nfs/dbraw/zinc/12/56/09/135125609.db2.gz VWJQNUIRWKETFM-ZIAGYGMSSA-N 2 1 242.407 1.966 20 0 BDADMP c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000257645143 135137511 /nfs/dbraw/zinc/13/75/11/135137511.db2.gz BWYWCEBHAIWUSE-UHFFFAOYSA-N 2 1 237.372 1.719 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257654009 135138135 /nfs/dbraw/zinc/13/81/35/135138135.db2.gz DYULXDQVMLXRJV-AWEZNQCLSA-N 2 1 249.358 1.867 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257654009 135138136 /nfs/dbraw/zinc/13/81/36/135138136.db2.gz DYULXDQVMLXRJV-AWEZNQCLSA-N 2 1 249.358 1.867 20 0 BDADMP Cc1ccncc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257674197 135138998 /nfs/dbraw/zinc/13/89/98/135138998.db2.gz JFDGUTNRDKWYNF-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257674197 135138999 /nfs/dbraw/zinc/13/89/99/135138999.db2.gz JFDGUTNRDKWYNF-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257697560 135139849 /nfs/dbraw/zinc/13/98/49/135139849.db2.gz PFPTWUVQJGJZCR-CYBMUJFWSA-N 2 1 238.375 1.489 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257707135 135140281 /nfs/dbraw/zinc/14/02/81/135140281.db2.gz RNTXQRSDGFZWQC-AWEZNQCLSA-N 2 1 238.375 1.489 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](COC)C2CC2)CC1 ZINC000087479276 135143918 /nfs/dbraw/zinc/14/39/18/135143918.db2.gz ILUUFXLDHWWVAX-ZDUSSCGKSA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261545466 135148885 /nfs/dbraw/zinc/14/88/85/135148885.db2.gz KBKSTSGYUIXRSP-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCN1c1cc[nH+]cc1Cl ZINC000261527572 135152324 /nfs/dbraw/zinc/15/23/24/135152324.db2.gz CYFWSGDQSDAQPW-APPZFPTMSA-N 2 1 211.696 1.661 20 0 BDADMP CC[C@@H]1C[N@H+](CC(C)(C)[NH3+])CCCO1 ZINC000261528764 135154454 /nfs/dbraw/zinc/15/44/54/135154454.db2.gz NPJSVJWZVDWFCK-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP CC[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CCCO1 ZINC000261528764 135154456 /nfs/dbraw/zinc/15/44/56/135154456.db2.gz NPJSVJWZVDWFCK-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000261529699 135156867 /nfs/dbraw/zinc/15/68/67/135156867.db2.gz BKPGRDBQAXAXDF-LLVKDONJSA-N 2 1 214.353 1.200 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261531676 135160547 /nfs/dbraw/zinc/16/05/47/135160547.db2.gz HLQRBYTZUPEIBU-NWDGAFQWSA-N 2 1 212.337 1.095 20 0 BDADMP CC[NH+](CC)CCC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087646030 135160637 /nfs/dbraw/zinc/16/06/37/135160637.db2.gz IPHJIXFMTJYJND-CYBMUJFWSA-N 3 1 227.396 1.308 20 0 BDADMP Cc1ccccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000087653234 135161107 /nfs/dbraw/zinc/16/11/07/135161107.db2.gz FWBLXZXURVIHDR-UHFFFAOYSA-N 2 1 204.317 1.917 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccn(C)c2)[C@@H](C)C1 ZINC000268884990 135162523 /nfs/dbraw/zinc/16/25/23/135162523.db2.gz BXEPHPINPPFYJL-GXTWGEPZSA-N 2 1 235.375 1.845 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000261532745 135163653 /nfs/dbraw/zinc/16/36/53/135163653.db2.gz DRIPTIKHSQPKGF-AVGNSLFASA-N 2 1 227.396 1.434 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000261533058 135164059 /nfs/dbraw/zinc/16/40/59/135164059.db2.gz GLEZBNJXBJFVSF-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000261535410 135169621 /nfs/dbraw/zinc/16/96/21/135169621.db2.gz YJFYXVHBHSJJRY-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000261536268 135171453 /nfs/dbraw/zinc/17/14/53/135171453.db2.gz RASAXBHAQKONKR-VXGBXAGGSA-N 2 1 222.357 1.789 20 0 BDADMP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000261536268 135171455 /nfs/dbraw/zinc/17/14/55/135171455.db2.gz RASAXBHAQKONKR-VXGBXAGGSA-N 2 1 222.357 1.789 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC2CC2)CC[C@H]1[NH3+] ZINC000261536475 135171815 /nfs/dbraw/zinc/17/18/15/135171815.db2.gz RWINLFFEMSWNCZ-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP CCc1cc(NCCCC[NH3+])nc(C)[nH+]1 ZINC000084081968 135181395 /nfs/dbraw/zinc/18/13/95/135181395.db2.gz OGRUSBBWQYTRKI-UHFFFAOYSA-N 2 1 208.309 1.498 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CC[NH+](C)C2)CC[NH2+]1 ZINC000261541890 135182237 /nfs/dbraw/zinc/18/22/37/135182237.db2.gz MACGMSFOEGFVPY-RDBSUJKOSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000261541890 135182238 /nfs/dbraw/zinc/18/22/38/135182238.db2.gz MACGMSFOEGFVPY-RDBSUJKOSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000261541890 135182240 /nfs/dbraw/zinc/18/22/40/135182240.db2.gz MACGMSFOEGFVPY-RDBSUJKOSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CCN(C)C2)CC[NH2+]1 ZINC000261541890 135182241 /nfs/dbraw/zinc/18/22/41/135182241.db2.gz MACGMSFOEGFVPY-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCN(C)C2)CC[NH2+]1 ZINC000261541890 135182243 /nfs/dbraw/zinc/18/22/43/135182243.db2.gz MACGMSFOEGFVPY-RDBSUJKOSA-N 2 1 239.407 1.258 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]12 ZINC000261542691 135183362 /nfs/dbraw/zinc/18/33/62/135183362.db2.gz CHQAVAFCLSQCNI-FPMFFAJLSA-N 2 1 234.318 1.995 20 0 BDADMP Cc1cnn(CC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000261549021 135187194 /nfs/dbraw/zinc/18/71/94/135187194.db2.gz KDHIASSEWPTDNB-QWHCGFSZSA-N 2 1 236.363 1.251 20 0 BDADMP c1cncc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261556851 135197236 /nfs/dbraw/zinc/19/72/36/135197236.db2.gz REOMWZLOGHTPQI-KBPBESRZSA-N 2 1 231.343 1.308 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261556851 135197237 /nfs/dbraw/zinc/19/72/37/135197237.db2.gz REOMWZLOGHTPQI-KBPBESRZSA-N 2 1 231.343 1.308 20 0 BDADMP Cc1cccnc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261557153 135197696 /nfs/dbraw/zinc/19/76/96/135197696.db2.gz RJFBDYSFQKUNQZ-ZDUSSCGKSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@H]1CCSCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261557880 135198831 /nfs/dbraw/zinc/19/88/31/135198831.db2.gz XTXLFYRUZHDCGQ-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261562423 135204526 /nfs/dbraw/zinc/20/45/26/135204526.db2.gz BGVZUBQEFSETFD-QWRGUYRKSA-N 2 1 237.372 1.493 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261562423 135204527 /nfs/dbraw/zinc/20/45/27/135204527.db2.gz BGVZUBQEFSETFD-QWRGUYRKSA-N 2 1 237.372 1.493 20 0 BDADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261567120 135209553 /nfs/dbraw/zinc/20/95/53/135209553.db2.gz ZQCMGPSIZBYBCH-QWHCGFSZSA-N 2 1 234.318 1.867 20 0 BDADMP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261567120 135209555 /nfs/dbraw/zinc/20/95/55/135209555.db2.gz ZQCMGPSIZBYBCH-QWHCGFSZSA-N 2 1 234.318 1.867 20 0 BDADMP CCOc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000261570673 135212196 /nfs/dbraw/zinc/21/21/96/135212196.db2.gz HAUUSMWCTIKERS-WDEREUQCSA-N 2 1 222.332 1.911 20 0 BDADMP CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000261570670 135212213 /nfs/dbraw/zinc/21/22/13/135212213.db2.gz HAUUSMWCTIKERS-GHMZBOCLSA-N 2 1 222.332 1.911 20 0 BDADMP Cc1cnn(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261578735 135219965 /nfs/dbraw/zinc/21/99/65/135219965.db2.gz PAHLNELNJYDJQR-MELADBBJSA-N 2 1 248.374 1.251 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000261585500 135227154 /nfs/dbraw/zinc/22/71/54/135227154.db2.gz QMOCIELQQQDHRM-DLOVCJGASA-N 2 1 237.372 1.621 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC2(C1)CCCCC2 ZINC000261589352 135230027 /nfs/dbraw/zinc/23/00/27/135230027.db2.gz TVTOXOIRDCFRML-UHFFFAOYSA-N 2 1 226.364 1.618 20 0 BDADMP CCc1nc(N2CC[C@@H](C)[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261591831 135232654 /nfs/dbraw/zinc/23/26/54/135232654.db2.gz YBRSOWLEEOTBCC-ZYHUDNBSSA-N 2 1 248.374 1.769 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]12 ZINC000261594308 135234133 /nfs/dbraw/zinc/23/41/33/135234133.db2.gz XLXOFCCMXQRUHU-JHJVBQTASA-N 2 1 217.316 1.251 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOCC1CC1 ZINC000261595423 135234881 /nfs/dbraw/zinc/23/48/81/135234881.db2.gz YCIYMDXTJMQHDA-CMPLNLGQSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261595781 135236078 /nfs/dbraw/zinc/23/60/78/135236078.db2.gz YLVXPRZFJUJMTH-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@@H]1CCOC1 ZINC000261598024 135237232 /nfs/dbraw/zinc/23/72/32/135237232.db2.gz ZIQAQOVCWOCWCQ-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261710728 135247579 /nfs/dbraw/zinc/24/75/79/135247579.db2.gz PMMUIMISVRYBDY-WCQYABFASA-N 2 1 233.359 1.828 20 0 BDADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261751325 135249966 /nfs/dbraw/zinc/24/99/66/135249966.db2.gz JWAALBZVBRQNBA-ZIAGYGMSSA-N 3 1 239.407 1.260 20 0 BDADMP C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CC1 ZINC000261853669 135257714 /nfs/dbraw/zinc/25/77/14/135257714.db2.gz BKHSJIVVHCXASB-AGIUHOORSA-N 2 1 224.348 1.143 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261930150 135263216 /nfs/dbraw/zinc/26/32/16/135263216.db2.gz CRLZKNNIDQRWKA-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000261928567 135263343 /nfs/dbraw/zinc/26/33/43/135263343.db2.gz LGZTUIATVLDGDA-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261935669 135264609 /nfs/dbraw/zinc/26/46/09/135264609.db2.gz LZEPCXKIAALOQD-VXGBXAGGSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261935669 135264610 /nfs/dbraw/zinc/26/46/10/135264610.db2.gz LZEPCXKIAALOQD-VXGBXAGGSA-N 2 1 236.363 1.633 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949829 135264873 /nfs/dbraw/zinc/26/48/73/135264873.db2.gz FTPKLTYZUIRXFX-ZDUSSCGKSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000261947289 135265215 /nfs/dbraw/zinc/26/52/15/135265215.db2.gz FMQXIYLBHSKBJD-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]21 ZINC000261963902 135267164 /nfs/dbraw/zinc/26/71/64/135267164.db2.gz POUUNOZTGIHLSF-YIYPIFLZSA-N 2 1 238.375 1.472 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000261970201 135268111 /nfs/dbraw/zinc/26/81/11/135268111.db2.gz QGHKHBFPSHSYNK-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@]1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC000261980307 135269015 /nfs/dbraw/zinc/26/90/15/135269015.db2.gz JBTRYWJJUORIDV-CYBMUJFWSA-N 3 1 237.391 1.062 20 0 BDADMP [NH3+]C[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000262002233 135271440 /nfs/dbraw/zinc/27/14/40/135271440.db2.gz UDZXXIQNYOIVMA-VIFPVBQESA-N 2 1 237.372 1.801 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000262002233 135271442 /nfs/dbraw/zinc/27/14/42/135271442.db2.gz UDZXXIQNYOIVMA-VIFPVBQESA-N 2 1 237.372 1.801 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CC(C)(C)[NH3+])C[C@H]1C ZINC000262041767 135274687 /nfs/dbraw/zinc/27/46/87/135274687.db2.gz YJEXNTXNNPFRGM-NEPJUHHUSA-N 2 1 227.396 1.528 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262061768 135276897 /nfs/dbraw/zinc/27/68/97/135276897.db2.gz RFBOFONWQBVPSK-XQQFMLRXSA-N 2 1 226.364 1.079 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000262119734 135279745 /nfs/dbraw/zinc/27/97/45/135279745.db2.gz BXWPBOKGWHNUIR-CYBMUJFWSA-N 2 1 248.374 1.589 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC000262116244 135279806 /nfs/dbraw/zinc/27/98/06/135279806.db2.gz LHPZRZHIOOWVGK-GARJFASQSA-N 2 1 248.317 1.327 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262155229 135282254 /nfs/dbraw/zinc/28/22/54/135282254.db2.gz RVUDHYHNTXTDQL-JTQLQIEISA-N 2 1 236.306 1.200 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262155229 135282256 /nfs/dbraw/zinc/28/22/56/135282256.db2.gz RVUDHYHNTXTDQL-JTQLQIEISA-N 2 1 236.306 1.200 20 0 BDADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000342598969 135300830 /nfs/dbraw/zinc/30/08/30/135300830.db2.gz QRLYMCPNOPCIDD-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000342598969 135300831 /nfs/dbraw/zinc/30/08/31/135300831.db2.gz QRLYMCPNOPCIDD-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@@H](C)C[N@@H+](C)C1CCN(CCO)CC1 ZINC000342945326 135337784 /nfs/dbraw/zinc/33/77/84/135337784.db2.gz XKCKMVTWMQNPHN-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP Cn1cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334283651 135338935 /nfs/dbraw/zinc/33/89/35/135338935.db2.gz ZITVQUIGZJSEEV-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334283651 135338936 /nfs/dbraw/zinc/33/89/36/135338936.db2.gz ZITVQUIGZJSEEV-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1cccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334283651 135338937 /nfs/dbraw/zinc/33/89/37/135338937.db2.gz ZITVQUIGZJSEEV-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP Cn1cccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334283651 135338938 /nfs/dbraw/zinc/33/89/38/135338938.db2.gz ZITVQUIGZJSEEV-HNNXBMFYSA-N 2 1 247.386 1.943 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC1(C)COC1 ZINC000079472569 135397250 /nfs/dbraw/zinc/39/72/50/135397250.db2.gz ZOQFQFGHHSPXES-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCOCC3(CC3)C2)CC[NH2+]1 ZINC000334832927 135817159 /nfs/dbraw/zinc/81/71/59/135817159.db2.gz IVBXPKOTTVGPLC-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000348156669 136040905 /nfs/dbraw/zinc/04/09/05/136040905.db2.gz ITHHUOWOUMUFOI-UVOCVTCTSA-N 2 1 232.318 1.958 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C(F)F)CC1 ZINC000348298558 136063662 /nfs/dbraw/zinc/06/36/62/136063662.db2.gz DDJVUKVIMUZPIP-GHMZBOCLSA-N 2 1 248.317 1.340 20 0 BDADMP Cc1n[nH]c(C)c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335341447 136064226 /nfs/dbraw/zinc/06/42/26/136064226.db2.gz MQQWMXKSXVHUMB-CQSZACIVSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335341447 136064227 /nfs/dbraw/zinc/06/42/27/136064227.db2.gz MQQWMXKSXVHUMB-CQSZACIVSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335341447 136064228 /nfs/dbraw/zinc/06/42/28/136064228.db2.gz MQQWMXKSXVHUMB-CQSZACIVSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335341447 136064229 /nfs/dbraw/zinc/06/42/29/136064229.db2.gz MQQWMXKSXVHUMB-CQSZACIVSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335341447 136064230 /nfs/dbraw/zinc/06/42/30/136064230.db2.gz MQQWMXKSXVHUMB-CQSZACIVSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1n[nH]c(C)c1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335341446 136064289 /nfs/dbraw/zinc/06/42/89/136064289.db2.gz MQQWMXKSXVHUMB-AWEZNQCLSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335341446 136064290 /nfs/dbraw/zinc/06/42/90/136064290.db2.gz MQQWMXKSXVHUMB-AWEZNQCLSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335341446 136064291 /nfs/dbraw/zinc/06/42/91/136064291.db2.gz MQQWMXKSXVHUMB-AWEZNQCLSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335341446 136064292 /nfs/dbraw/zinc/06/42/92/136064292.db2.gz MQQWMXKSXVHUMB-AWEZNQCLSA-N 2 1 248.374 1.554 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335341446 136064293 /nfs/dbraw/zinc/06/42/93/136064293.db2.gz MQQWMXKSXVHUMB-AWEZNQCLSA-N 2 1 248.374 1.554 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cnn(C)c1 ZINC000348309975 136066787 /nfs/dbraw/zinc/06/67/87/136066787.db2.gz QCPRBFDVCWPJKZ-AAEUAGOBSA-N 2 1 236.363 1.555 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cnn(C)c1 ZINC000348309975 136066788 /nfs/dbraw/zinc/06/67/88/136066788.db2.gz QCPRBFDVCWPJKZ-AAEUAGOBSA-N 2 1 236.363 1.555 20 0 BDADMP Cc1nc(C)c(C[N@@H+](C)C2CC[NH2+]CC2)s1 ZINC000335383879 136088005 /nfs/dbraw/zinc/08/80/05/136088005.db2.gz ZPVONZIQEDOXHV-UHFFFAOYSA-N 2 1 239.388 1.944 20 0 BDADMP Cc1nc(C)c(C[N@H+](C)C2CC[NH2+]CC2)s1 ZINC000335383879 136088006 /nfs/dbraw/zinc/08/80/06/136088006.db2.gz ZPVONZIQEDOXHV-UHFFFAOYSA-N 2 1 239.388 1.944 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC2)CC12CCOCC2 ZINC000335394924 136092357 /nfs/dbraw/zinc/09/23/57/136092357.db2.gz HEBFPDXLJHISDM-ZDUSSCGKSA-N 2 1 238.375 1.474 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000161710890 397759967 /nfs/dbraw/zinc/75/99/67/397759967.db2.gz WIRHZSCSJUMNCP-QWRGUYRKSA-N 2 1 205.305 1.251 20 0 BDADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000390412885 397888905 /nfs/dbraw/zinc/88/89/05/397888905.db2.gz FXVTYSALZZNIOE-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000649528506 397921567 /nfs/dbraw/zinc/92/15/67/397921567.db2.gz LSPUCVNHRPRWTL-KGLIPLIRSA-N 2 1 237.391 1.249 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000649528506 397921571 /nfs/dbraw/zinc/92/15/71/397921571.db2.gz LSPUCVNHRPRWTL-KGLIPLIRSA-N 2 1 237.391 1.249 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000649528506 397921572 /nfs/dbraw/zinc/92/15/72/397921572.db2.gz LSPUCVNHRPRWTL-KGLIPLIRSA-N 2 1 237.391 1.249 20 0 BDADMP Cc1cncc(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000649530915 397922081 /nfs/dbraw/zinc/92/20/81/397922081.db2.gz PEKQXAZEQKQNEQ-ZDUSSCGKSA-N 2 1 248.374 1.211 20 0 BDADMP Cc1cncc(CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000649530915 397922089 /nfs/dbraw/zinc/92/20/89/397922089.db2.gz PEKQXAZEQKQNEQ-ZDUSSCGKSA-N 2 1 248.374 1.211 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414824291 398045736 /nfs/dbraw/zinc/04/57/36/398045736.db2.gz QPMOQCDKLPMOLG-SYQHCUMBSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CC2=CCCOC2)CC[N@@H+]1C ZINC000093644826 398004424 /nfs/dbraw/zinc/00/44/24/398004424.db2.gz KSXCFMMLLZHDAF-JSGCOSHPSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CC2=CCCOC2)CC[N@H+]1C ZINC000093644826 398004425 /nfs/dbraw/zinc/00/44/25/398004425.db2.gz KSXCFMMLLZHDAF-JSGCOSHPSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CC2=CCCOC2)CC[NH+]1C ZINC000093644826 398004430 /nfs/dbraw/zinc/00/44/30/398004430.db2.gz KSXCFMMLLZHDAF-JSGCOSHPSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CC2=CCCOC2)CC[NH+]1C ZINC000093644826 398004432 /nfs/dbraw/zinc/00/44/32/398004432.db2.gz KSXCFMMLLZHDAF-JSGCOSHPSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1CCCOC1 ZINC000389124857 398029239 /nfs/dbraw/zinc/02/92/39/398029239.db2.gz VTJGTMNIZPWISV-AVGNSLFASA-N 2 1 226.364 1.533 20 0 BDADMP COCc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000382784433 397981257 /nfs/dbraw/zinc/98/12/57/397981257.db2.gz WNFVDKIUCDCILP-MNOVXSKESA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000382784433 397981259 /nfs/dbraw/zinc/98/12/59/397981259.db2.gz WNFVDKIUCDCILP-MNOVXSKESA-N 2 1 238.331 1.595 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccns2)CC1 ZINC000404433139 398085138 /nfs/dbraw/zinc/08/51/38/398085138.db2.gz JLJPIYVXLZHHDA-UHFFFAOYSA-N 2 1 223.345 1.495 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414831553 398050945 /nfs/dbraw/zinc/05/09/45/398050945.db2.gz CLULFWRCDSJLAF-QWRGUYRKSA-N 2 1 202.342 1.374 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414838124 398052170 /nfs/dbraw/zinc/05/21/70/398052170.db2.gz YQLBKQZFDGEWGU-NEPJUHHUSA-N 2 1 214.353 1.389 20 0 BDADMP CCc1cc(N(C)C2CC([NH3+])C2)nc(C)[nH+]1 ZINC000384908317 398116268 /nfs/dbraw/zinc/11/62/68/398116268.db2.gz PKUFSSBETAOIFD-UHFFFAOYSA-N 2 1 220.320 1.273 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000245906143 398118983 /nfs/dbraw/zinc/11/89/83/398118983.db2.gz BAVRBHCOWLQPJT-MELADBBJSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)OCC12CCC2 ZINC000649822496 398124272 /nfs/dbraw/zinc/12/42/72/398124272.db2.gz IICSLAQUNHQLMI-LBPRGKRZSA-N 2 1 249.358 1.835 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000649822496 398124276 /nfs/dbraw/zinc/12/42/76/398124276.db2.gz IICSLAQUNHQLMI-LBPRGKRZSA-N 2 1 249.358 1.835 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000414979627 398134737 /nfs/dbraw/zinc/13/47/37/398134737.db2.gz UUZGXIFDTKDPAD-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(C)(C)C)CCO1 ZINC000169121552 487559774 /nfs/dbraw/zinc/55/97/74/487559774.db2.gz SZDNQBSAPWAACK-MNOVXSKESA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(C)(C)C)CCO1 ZINC000169121552 487559777 /nfs/dbraw/zinc/55/97/77/487559777.db2.gz SZDNQBSAPWAACK-MNOVXSKESA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000043619718 167232991 /nfs/dbraw/zinc/23/29/91/167232991.db2.gz CULHHMXYUNBEGK-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000043619718 167232992 /nfs/dbraw/zinc/23/29/92/167232992.db2.gz CULHHMXYUNBEGK-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP C(C[C@@H]1CCOC1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232451508 487595261 /nfs/dbraw/zinc/59/52/61/487595261.db2.gz QCCAOSSPEKGOQX-VXGBXAGGSA-N 2 1 212.337 1.145 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(F)CC3)CC[C@@H]21 ZINC000526972917 487608251 /nfs/dbraw/zinc/60/82/51/487608251.db2.gz ZIAPGZDAFPTZNS-NEPJUHHUSA-N 2 1 226.339 1.905 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(F)CC3)CC[C@@H]21 ZINC000526972917 487608255 /nfs/dbraw/zinc/60/82/55/487608255.db2.gz ZIAPGZDAFPTZNS-NEPJUHHUSA-N 2 1 226.339 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(F)CC3)CC[C@@H]21 ZINC000526972917 487608258 /nfs/dbraw/zinc/60/82/58/487608258.db2.gz ZIAPGZDAFPTZNS-NEPJUHHUSA-N 2 1 226.339 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(F)CC3)CC[C@@H]21 ZINC000526972917 487608263 /nfs/dbraw/zinc/60/82/63/487608263.db2.gz ZIAPGZDAFPTZNS-NEPJUHHUSA-N 2 1 226.339 1.905 20 0 BDADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000662255357 409551461 /nfs/dbraw/zinc/55/14/61/409551461.db2.gz OSMFCFXVUMGXMX-XQQFMLRXSA-N 2 1 236.359 1.239 20 0 BDADMP O[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662286589 409618758 /nfs/dbraw/zinc/61/87/58/409618758.db2.gz QYNSVWJFDZBISH-AWEZNQCLSA-N 2 1 246.354 1.289 20 0 BDADMP CO[C@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)C1CCC1 ZINC000662273157 409581625 /nfs/dbraw/zinc/58/16/25/409581625.db2.gz LWRUIYLOHWFRAI-QWHCGFSZSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)C1CCC1 ZINC000662273157 409581635 /nfs/dbraw/zinc/58/16/35/409581635.db2.gz LWRUIYLOHWFRAI-QWHCGFSZSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC1 ZINC000309098011 410243313 /nfs/dbraw/zinc/24/33/13/410243313.db2.gz HQAZEWVHCJPJSL-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC1 ZINC000309098011 410243315 /nfs/dbraw/zinc/24/33/15/410243315.db2.gz HQAZEWVHCJPJSL-LBPRGKRZSA-N 2 1 214.353 1.173 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650702736 410333527 /nfs/dbraw/zinc/33/35/27/410333527.db2.gz RUJPWXDCTJKOAE-GFCCVEGCSA-N 2 1 230.355 1.956 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2cc[nH]n2)[C@H]1CC[NH3+] ZINC000650711504 410342017 /nfs/dbraw/zinc/34/20/17/410342017.db2.gz VYDVTTRVKHFTEJ-PWSUYJOCSA-N 2 1 222.336 1.359 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)[C@H]1CC[NH3+] ZINC000650711504 410342022 /nfs/dbraw/zinc/34/20/22/410342022.db2.gz VYDVTTRVKHFTEJ-PWSUYJOCSA-N 2 1 222.336 1.359 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]CC2(F)CC2)c(F)c1 ZINC000650717388 410352675 /nfs/dbraw/zinc/35/26/75/410352675.db2.gz YZLCACYRSNLDCA-UHFFFAOYSA-N 2 1 226.270 1.876 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CC[NH2+]C1 ZINC000650724922 410360868 /nfs/dbraw/zinc/36/08/68/410360868.db2.gz OZEPVQWFUSATCC-GHMZBOCLSA-N 2 1 230.302 1.717 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650755784 410399938 /nfs/dbraw/zinc/39/99/38/410399938.db2.gz MQRQMERNCXKGEY-ZJUUUORDSA-N 2 1 239.338 1.500 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763139 410412841 /nfs/dbraw/zinc/41/28/41/410412841.db2.gz SGJWOEVMDIIODW-JTQLQIEISA-N 2 1 236.363 1.758 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(CC)C1 ZINC000309276215 410701797 /nfs/dbraw/zinc/70/17/97/410701797.db2.gz SCNOLNNIWDFORI-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(CC)C1 ZINC000309276215 410701805 /nfs/dbraw/zinc/70/18/05/410701805.db2.gz SCNOLNNIWDFORI-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(CC)C1 ZINC000309276215 410701809 /nfs/dbraw/zinc/70/18/09/410701809.db2.gz SCNOLNNIWDFORI-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H](C1CC1)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000393735460 410757907 /nfs/dbraw/zinc/75/79/07/410757907.db2.gz BFOYMYFJJKCXTQ-QWRGUYRKSA-N 2 1 208.349 1.859 20 0 BDADMP CC[N@@H+](CCOCC[NH3+])CCC(F)(F)F ZINC000308810489 410769168 /nfs/dbraw/zinc/76/91/68/410769168.db2.gz PZZUXRLRQNJBGH-UHFFFAOYSA-N 2 1 228.258 1.236 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000665297724 410817496 /nfs/dbraw/zinc/81/74/96/410817496.db2.gz KHYIQMVBUMPQGU-TUAOUCFPSA-N 2 1 214.353 1.389 20 0 BDADMP COCc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000394595500 410807277 /nfs/dbraw/zinc/80/72/77/410807277.db2.gz KAERYZPNPNOXTB-QWRGUYRKSA-N 2 1 238.331 1.595 20 0 BDADMP COCc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000394595500 410807283 /nfs/dbraw/zinc/80/72/83/410807283.db2.gz KAERYZPNPNOXTB-QWRGUYRKSA-N 2 1 238.331 1.595 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(C)C[C@@H]1CN ZINC000394865969 410828495 /nfs/dbraw/zinc/82/84/95/410828495.db2.gz UGSVVBXYDHBKHT-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(C)C[C@@H]1CN ZINC000394865969 410828498 /nfs/dbraw/zinc/82/84/98/410828498.db2.gz UGSVVBXYDHBKHT-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H](NC[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396458294 410881687 /nfs/dbraw/zinc/88/16/87/410881687.db2.gz OGYMXMUNIAEWDK-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000120646805 167121977 /nfs/dbraw/zinc/12/19/77/167121977.db2.gz CWTQSPRSZMXSTP-OAHLLOKOSA-N 2 1 248.370 1.751 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)CCF)[C@@H](C)C1 ZINC000652019085 410999481 /nfs/dbraw/zinc/99/94/81/410999481.db2.gz JIYCNMMVPJLCQP-TUAOUCFPSA-N 2 1 232.343 1.027 20 0 BDADMP CC[C@H]1C[N@@H+](CCOCC(C)C)CC[C@H]1[NH3+] ZINC000300053653 411077622 /nfs/dbraw/zinc/07/76/22/411077622.db2.gz ROPXGORIUXYBQE-QWHCGFSZSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000301019652 411129553 /nfs/dbraw/zinc/12/95/53/411129553.db2.gz NHIMHXJAXVEVAK-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000651762882 411142328 /nfs/dbraw/zinc/14/23/28/411142328.db2.gz VGIMCMWGDQSGPL-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000651762882 411142329 /nfs/dbraw/zinc/14/23/29/411142329.db2.gz VGIMCMWGDQSGPL-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000651865628 411148202 /nfs/dbraw/zinc/14/82/02/411148202.db2.gz BDBKUNSCQVWTCB-CQSZACIVSA-N 2 1 242.407 1.981 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000653779838 411168848 /nfs/dbraw/zinc/16/88/48/411168848.db2.gz FVTLEFXBUZLBST-GHMZBOCLSA-N 2 1 248.317 1.030 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000653779838 411168850 /nfs/dbraw/zinc/16/88/50/411168850.db2.gz FVTLEFXBUZLBST-GHMZBOCLSA-N 2 1 248.317 1.030 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653779838 411168852 /nfs/dbraw/zinc/16/88/52/411168852.db2.gz FVTLEFXBUZLBST-GHMZBOCLSA-N 2 1 248.317 1.030 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653779838 411168855 /nfs/dbraw/zinc/16/88/55/411168855.db2.gz FVTLEFXBUZLBST-GHMZBOCLSA-N 2 1 248.317 1.030 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)C[C@H](C)O1 ZINC000655754892 411184498 /nfs/dbraw/zinc/18/44/98/411184498.db2.gz XJYOMMUDDCPFLA-ITGUQSILSA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000656197372 411202935 /nfs/dbraw/zinc/20/29/35/411202935.db2.gz DCVJUIJKSHSDFB-MCIONIFRSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)C1 ZINC000656197372 411202938 /nfs/dbraw/zinc/20/29/38/411202938.db2.gz DCVJUIJKSHSDFB-MCIONIFRSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000656197365 411203446 /nfs/dbraw/zinc/20/34/46/411203446.db2.gz CMTPZJUMBDNTKF-QWRGUYRKSA-N 2 1 223.295 1.580 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000656197364 411203480 /nfs/dbraw/zinc/20/34/80/411203480.db2.gz CMTPZJUMBDNTKF-MNOVXSKESA-N 2 1 223.295 1.580 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCCC[C@@H]2N)C1 ZINC000656200120 411205001 /nfs/dbraw/zinc/20/50/01/411205001.db2.gz JXZVQXYICSEAFW-RFQIPJPRSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000656201232 411206032 /nfs/dbraw/zinc/20/60/32/411206032.db2.gz LADZTLZSCVLJQC-DYEKYZERSA-N 2 1 233.359 1.743 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345923 411208850 /nfs/dbraw/zinc/20/88/50/411208850.db2.gz PAWPMZGNWWPIAA-YNEHKIRRSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)CS1 ZINC000655682653 411223671 /nfs/dbraw/zinc/22/36/71/411223671.db2.gz IDQQSEDJPMWUCI-ZYHUDNBSSA-N 2 1 228.405 1.954 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1(C)CC1 ZINC000310226848 411226290 /nfs/dbraw/zinc/22/62/90/411226290.db2.gz GXBCTAHBSTYIQL-OLZOCXBDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000310226848 411226292 /nfs/dbraw/zinc/22/62/92/411226292.db2.gz GXBCTAHBSTYIQL-OLZOCXBDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000310226848 411226295 /nfs/dbraw/zinc/22/62/95/411226295.db2.gz GXBCTAHBSTYIQL-OLZOCXBDSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000310327202 411233960 /nfs/dbraw/zinc/23/39/60/411233960.db2.gz AXFUIGJJKZFBHF-STQMWFEESA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422903609 411234401 /nfs/dbraw/zinc/23/44/01/411234401.db2.gz FVCGUZAMINUHKA-HABKJSAYSA-N 2 1 239.407 1.589 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422905642 411235158 /nfs/dbraw/zinc/23/51/58/411235158.db2.gz IMSZIKSIPWEXAY-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422903574 411235409 /nfs/dbraw/zinc/23/54/09/411235409.db2.gz FRQDHOBUBHHWKU-SRVKXCTJSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1nccs1 ZINC000423173492 411236700 /nfs/dbraw/zinc/23/67/00/411236700.db2.gz YYPKCLPHPBSMTP-YIZRAAEISA-N 2 1 213.350 1.920 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000396726906 411240326 /nfs/dbraw/zinc/24/03/26/411240326.db2.gz ZDZBJCQGKAGLHE-QJPTWQEYSA-N 2 1 212.337 1.143 20 0 BDADMP Cc1cc(N2CCCC[C@@H]2CC[NH3+])nc(C)[nH+]1 ZINC000111375104 411167244 /nfs/dbraw/zinc/16/72/44/411167244.db2.gz QDRVYGDBXNNOAR-GFCCVEGCSA-N 2 1 234.347 1.801 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287518 411263467 /nfs/dbraw/zinc/26/34/67/411263467.db2.gz ZPVURFKGZOLNEU-OKILXGFUSA-N 2 1 216.328 1.646 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402608131 411273516 /nfs/dbraw/zinc/27/35/16/411273516.db2.gz VMLDCHLZLYVEEO-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000658161232 411273989 /nfs/dbraw/zinc/27/39/89/411273989.db2.gz JAHBVNPYXCGZLS-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000658161069 411274484 /nfs/dbraw/zinc/27/44/84/411274484.db2.gz IZVDAFGDQHNSTL-FDYHWXHSSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000658161069 411274486 /nfs/dbraw/zinc/27/44/86/411274486.db2.gz IZVDAFGDQHNSTL-FDYHWXHSSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889760 411285164 /nfs/dbraw/zinc/28/51/64/411285164.db2.gz QMIRMCQQHAWJDK-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP c1cc2c(s1)CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000051889892 411286029 /nfs/dbraw/zinc/28/60/29/411286029.db2.gz CLEKKYQILDFCPT-JTQLQIEISA-N 2 1 222.357 1.716 20 0 BDADMP c1cc2c(s1)CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000051889892 411286031 /nfs/dbraw/zinc/28/60/31/411286031.db2.gz CLEKKYQILDFCPT-JTQLQIEISA-N 2 1 222.357 1.716 20 0 BDADMP c1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CCO2 ZINC000063012723 411333187 /nfs/dbraw/zinc/33/31/87/411333187.db2.gz RIZKDRHIWJPPRQ-ZDUSSCGKSA-N 2 1 246.354 1.881 20 0 BDADMP c1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CCO2 ZINC000063012723 411333191 /nfs/dbraw/zinc/33/31/91/411333191.db2.gz RIZKDRHIWJPPRQ-ZDUSSCGKSA-N 2 1 246.354 1.881 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966724 411332915 /nfs/dbraw/zinc/33/29/15/411332915.db2.gz LWXAKWDSFAWCDQ-RYUDHWBXSA-N 2 1 205.305 1.533 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966724 411332917 /nfs/dbraw/zinc/33/29/17/411332917.db2.gz LWXAKWDSFAWCDQ-RYUDHWBXSA-N 2 1 205.305 1.533 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403877491 411363098 /nfs/dbraw/zinc/36/30/98/411363098.db2.gz SXXCHGRHIGQUGH-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@]1(C)CO ZINC000662146607 411367750 /nfs/dbraw/zinc/36/77/50/411367750.db2.gz SFGUXDYHAXFLHU-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)CO ZINC000662146607 411367753 /nfs/dbraw/zinc/36/77/53/411367753.db2.gz SFGUXDYHAXFLHU-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@]1(C)CO ZINC000662146607 411367755 /nfs/dbraw/zinc/36/77/55/411367755.db2.gz SFGUXDYHAXFLHU-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@]1(C)CO ZINC000662146606 411368039 /nfs/dbraw/zinc/36/80/39/411368039.db2.gz SFGUXDYHAXFLHU-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@]1(C)CO ZINC000662146606 411368041 /nfs/dbraw/zinc/36/80/41/411368041.db2.gz SFGUXDYHAXFLHU-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@]1(C)CO ZINC000662146606 411368043 /nfs/dbraw/zinc/36/80/43/411368043.db2.gz SFGUXDYHAXFLHU-MGPQQGTHSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2=CCCOC2)CC[NH2+]1 ZINC000656791232 411369951 /nfs/dbraw/zinc/36/99/51/411369951.db2.gz XBCCRABWGINIBG-STQMWFEESA-N 2 1 238.375 1.653 20 0 BDADMP CC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000123324612 168145207 /nfs/dbraw/zinc/14/52/07/168145207.db2.gz LVONMXWPLPFKFZ-DZAOSMCZSA-N 2 1 208.349 2.000 20 0 BDADMP COCCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404313864 411390673 /nfs/dbraw/zinc/39/06/73/411390673.db2.gz MYRDUWOPQHKILM-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP CCc1nnc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)[nH]1 ZINC000662234108 411383169 /nfs/dbraw/zinc/38/31/69/411383169.db2.gz IPSNMKSHHYSYIT-SECBINFHSA-N 2 1 237.351 1.099 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccnn2C)[C@@H]1CC[NH3+] ZINC000404450933 411397442 /nfs/dbraw/zinc/39/74/42/411397442.db2.gz YPVHEVIDUCALQV-WCQYABFASA-N 2 1 236.363 1.369 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000404654832 411403112 /nfs/dbraw/zinc/40/31/12/411403112.db2.gz OYICYFNUSHACRS-LBPRGKRZSA-N 2 1 214.353 1.485 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C[NH3+] ZINC000405689180 411438824 /nfs/dbraw/zinc/43/88/24/411438824.db2.gz NPTLPCJVIVEEQH-VXGBXAGGSA-N 2 1 240.372 1.544 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C[NH3+] ZINC000405689180 411438826 /nfs/dbraw/zinc/43/88/26/411438826.db2.gz NPTLPCJVIVEEQH-VXGBXAGGSA-N 2 1 240.372 1.544 20 0 BDADMP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000306535356 411452253 /nfs/dbraw/zinc/45/22/53/411452253.db2.gz JVGQAPFWAOISCP-GHMZBOCLSA-N 2 1 214.378 1.564 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657355398 411477832 /nfs/dbraw/zinc/47/78/32/411477832.db2.gz MIVHBIHLHFIPTJ-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657355398 411477835 /nfs/dbraw/zinc/47/78/35/411477835.db2.gz MIVHBIHLHFIPTJ-LBPRGKRZSA-N 2 1 248.374 1.261 20 0 BDADMP c1c[nH+]c(N2CC[NH+](CCC3CCC3)CC2)[nH]1 ZINC000660420982 411494372 /nfs/dbraw/zinc/49/43/72/411494372.db2.gz VSJLKNLCXUZJBY-UHFFFAOYSA-N 2 1 234.347 1.722 20 0 BDADMP Cc1c[nH]c(C[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000657426627 411503539 /nfs/dbraw/zinc/50/35/39/411503539.db2.gz AOMNIORYSPYXMD-UHFFFAOYSA-N 2 1 220.320 1.070 20 0 BDADMP Cc1c[nH]c(C[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000657426627 411503543 /nfs/dbraw/zinc/50/35/43/411503543.db2.gz AOMNIORYSPYXMD-UHFFFAOYSA-N 2 1 220.320 1.070 20 0 BDADMP CC(C)n1ccnc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657427451 411504032 /nfs/dbraw/zinc/50/40/32/411504032.db2.gz NSHQQCIUKRDYSZ-UHFFFAOYSA-N 2 1 248.374 1.816 20 0 BDADMP CC(C)n1ccnc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657427451 411504034 /nfs/dbraw/zinc/50/40/34/411504034.db2.gz NSHQQCIUKRDYSZ-UHFFFAOYSA-N 2 1 248.374 1.816 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989537 411521885 /nfs/dbraw/zinc/52/18/85/411521885.db2.gz NJWHIORCZXJDNB-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989537 411521886 /nfs/dbraw/zinc/52/18/86/411521886.db2.gz NJWHIORCZXJDNB-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037893976 170007415 /nfs/dbraw/zinc/00/74/15/170007415.db2.gz QWWPIXUZXRAJMW-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000085579305 170008215 /nfs/dbraw/zinc/00/82/15/170008215.db2.gz JLVBPNALMYFJQR-LBPRGKRZSA-N 2 1 207.321 1.446 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCO)C[C@H]1C ZINC000336677381 170009351 /nfs/dbraw/zinc/00/93/51/170009351.db2.gz NSXMXWMKSTTZJL-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCO)C[C@H]1C ZINC000336677381 170009352 /nfs/dbraw/zinc/00/93/52/170009352.db2.gz NSXMXWMKSTTZJL-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCO)C[C@H]1C ZINC000336677381 170009354 /nfs/dbraw/zinc/00/93/54/170009354.db2.gz NSXMXWMKSTTZJL-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484181 170009912 /nfs/dbraw/zinc/00/99/12/170009912.db2.gz FYNYSHHEZMSPSP-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000037484296 170015783 /nfs/dbraw/zinc/01/57/83/170015783.db2.gz PJCMVWKBNBQIRA-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328440705 170016977 /nfs/dbraw/zinc/01/69/77/170016977.db2.gz MJWXFPQWAMTDLR-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000037644135 170017288 /nfs/dbraw/zinc/01/72/88/170017288.db2.gz PRBQCIOCAUSOGP-CYBMUJFWSA-N 2 1 234.343 1.824 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)O)C[C@H]1C ZINC000336662607 170017999 /nfs/dbraw/zinc/01/79/99/170017999.db2.gz CMAVVFZOUFKLPV-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)O)C[C@H]1C ZINC000336662607 170018000 /nfs/dbraw/zinc/01/80/00/170018000.db2.gz CMAVVFZOUFKLPV-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)O)C[C@H]1C ZINC000336662607 170018001 /nfs/dbraw/zinc/01/80/01/170018001.db2.gz CMAVVFZOUFKLPV-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)O)[C@@H](C)C1 ZINC000336693994 170019655 /nfs/dbraw/zinc/01/96/55/170019655.db2.gz SYKDGORQPBJIEC-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)O)[C@@H](C)C1 ZINC000336693994 170019656 /nfs/dbraw/zinc/01/96/56/170019656.db2.gz SYKDGORQPBJIEC-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)O)[C@@H](C)C1 ZINC000336693994 170019658 /nfs/dbraw/zinc/01/96/58/170019658.db2.gz SYKDGORQPBJIEC-SRVKXCTJSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CC2)[C@H](C)C1 ZINC000353517828 170020174 /nfs/dbraw/zinc/02/01/74/170020174.db2.gz ZELYBVZGALCHAD-XBFCOCLRSA-N 2 1 240.391 1.325 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2C)[C@H](C)C1 ZINC000358168933 170020840 /nfs/dbraw/zinc/02/08/40/170020840.db2.gz OIIOLGDOIKBMCO-MFKMUULPSA-N 2 1 236.363 1.538 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2C)[C@H](C)C1 ZINC000358168933 170020841 /nfs/dbraw/zinc/02/08/41/170020841.db2.gz OIIOLGDOIKBMCO-MFKMUULPSA-N 2 1 236.363 1.538 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H](C)O)[C@@H](C)C1 ZINC000309461598 170021250 /nfs/dbraw/zinc/02/12/50/170021250.db2.gz OBGCCFWPMVCBEQ-XQQFMLRXSA-N 2 1 228.380 1.467 20 0 BDADMP CC[NH+]1C[C@H](N[C@@H](C)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000353568073 170037106 /nfs/dbraw/zinc/03/71/06/170037106.db2.gz OTNJAMHLSINZLD-IHRRRGAJSA-N 2 1 241.423 1.645 20 0 BDADMP CC[NH+]1C[C@H](N[C@@H](C)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000353568073 170037107 /nfs/dbraw/zinc/03/71/07/170037107.db2.gz OTNJAMHLSINZLD-IHRRRGAJSA-N 2 1 241.423 1.645 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NCC[NH+](C)C(C)C)C1 ZINC000336674666 170039089 /nfs/dbraw/zinc/03/90/89/170039089.db2.gz AXDSBBBDLCYYMM-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](NCC[N@H+](C)C(C)C)C1 ZINC000336674666 170039090 /nfs/dbraw/zinc/03/90/90/170039090.db2.gz AXDSBBBDLCYYMM-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](NCC[N@@H+](C)C(C)C)C1 ZINC000336674666 170039092 /nfs/dbraw/zinc/03/90/92/170039092.db2.gz AXDSBBBDLCYYMM-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CCOC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043638796 170266312 /nfs/dbraw/zinc/26/63/12/170266312.db2.gz ROIWWWMHCIXXCY-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP CCOC1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000124460737 170329331 /nfs/dbraw/zinc/32/93/31/170329331.db2.gz CPOQWYICTNULKT-DCBWTQNWSA-N 2 1 238.375 1.628 20 0 BDADMP CCOCC(C)(C)[NH2+]CCCn1cc[nH+]c1C ZINC000339369302 170354907 /nfs/dbraw/zinc/35/49/07/170354907.db2.gz PBWWSYDWVVAZCY-UHFFFAOYSA-N 2 1 239.363 1.986 20 0 BDADMP CCOCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122351369 170375743 /nfs/dbraw/zinc/37/57/43/170375743.db2.gz LHTWJDQJAFYMFG-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000308878688 170376305 /nfs/dbraw/zinc/37/63/05/170376305.db2.gz CFXLJPYGXQVCRZ-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP CCOCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123679064 170391773 /nfs/dbraw/zinc/39/17/73/170391773.db2.gz VQBOGSHSWKRVFM-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123679064 170391775 /nfs/dbraw/zinc/39/17/75/170391775.db2.gz VQBOGSHSWKRVFM-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123679064 170391777 /nfs/dbraw/zinc/39/17/77/170391777.db2.gz VQBOGSHSWKRVFM-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123679064 170391778 /nfs/dbraw/zinc/39/17/78/170391778.db2.gz VQBOGSHSWKRVFM-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336674138 170391784 /nfs/dbraw/zinc/39/17/84/170391784.db2.gz LJIZDFIDAALLKC-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336674138 170391785 /nfs/dbraw/zinc/39/17/85/170391785.db2.gz LJIZDFIDAALLKC-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336674138 170391786 /nfs/dbraw/zinc/39/17/86/170391786.db2.gz LJIZDFIDAALLKC-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](C)CC2)O1 ZINC000657663655 411576370 /nfs/dbraw/zinc/57/63/70/411576370.db2.gz JZGCYSGUBITDDS-WCQYABFASA-N 2 1 226.364 1.628 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCOC1 ZINC000657792556 411598471 /nfs/dbraw/zinc/59/84/71/411598471.db2.gz JDZKSODXCUVLLJ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1CCOC1 ZINC000657792556 411598472 /nfs/dbraw/zinc/59/84/72/411598472.db2.gz JDZKSODXCUVLLJ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657165 411613493 /nfs/dbraw/zinc/61/34/93/411613493.db2.gz OCFFLGQCTSENAS-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657165 411613495 /nfs/dbraw/zinc/61/34/95/411613495.db2.gz OCFFLGQCTSENAS-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657165 411613497 /nfs/dbraw/zinc/61/34/97/411613497.db2.gz OCFFLGQCTSENAS-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1(C)COC1)C2 ZINC000660660454 411615171 /nfs/dbraw/zinc/61/51/71/411615171.db2.gz VSHOCMIKNYZZKR-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1(C)COC1)C2 ZINC000660660454 411615172 /nfs/dbraw/zinc/61/51/72/411615172.db2.gz VSHOCMIKNYZZKR-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1(C)COC1)C2 ZINC000660660454 411615174 /nfs/dbraw/zinc/61/51/74/411615174.db2.gz VSHOCMIKNYZZKR-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP Cc1cc[nH+]c(NCCC[NH+]2CCC(O)CC2)c1 ZINC000663402651 411648916 /nfs/dbraw/zinc/64/89/16/411648916.db2.gz OQTGXTTZTJTLOE-UHFFFAOYSA-N 2 1 249.358 1.649 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000660921208 411672501 /nfs/dbraw/zinc/67/25/01/411672501.db2.gz VBUSDWKNSHOXPO-ZDUSSCGKSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH3+])c1ccc(CNC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000663495582 411674686 /nfs/dbraw/zinc/67/46/86/411674686.db2.gz ZKDAUEJJCSOFNL-NILFDRSVSA-N 2 1 245.370 1.405 20 0 BDADMP C(N1CCC([C@@H]2CCC[NH2+]2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495921 411677534 /nfs/dbraw/zinc/67/75/34/411677534.db2.gz QXTIPRGTFNNXFG-ILXRZTDVSA-N 2 1 249.402 1.060 20 0 BDADMP CC[N@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000663498253 411682296 /nfs/dbraw/zinc/68/22/96/411682296.db2.gz NXDMDXKDDZTBPX-ZIHBUVQPSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000663500952 411684429 /nfs/dbraw/zinc/68/44/29/411684429.db2.gz QOAILJHHQHOHCB-SYQHCUMBSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2=CCSC2)CC[NH2+]1 ZINC000663506238 411687678 /nfs/dbraw/zinc/68/76/78/411687678.db2.gz KPLVPXJUJLOLJM-RYUDHWBXSA-N 2 1 240.416 1.980 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000663509333 411691730 /nfs/dbraw/zinc/69/17/30/411691730.db2.gz IZRJLWNNSNCEKT-ZJUUUORDSA-N 2 1 212.362 1.877 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661701982 411847956 /nfs/dbraw/zinc/84/79/56/411847956.db2.gz UFLMNFJFECZFSC-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661701982 411847959 /nfs/dbraw/zinc/84/79/59/411847959.db2.gz UFLMNFJFECZFSC-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661701982 411847962 /nfs/dbraw/zinc/84/79/62/411847962.db2.gz UFLMNFJFECZFSC-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661715659 411855767 /nfs/dbraw/zinc/85/57/67/411855767.db2.gz NFWVWVPJANICJA-BFHYXJOUSA-N 2 1 238.375 1.318 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662039644 411959039 /nfs/dbraw/zinc/95/90/39/411959039.db2.gz YVOYUSHTXPDZKX-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662039644 411959040 /nfs/dbraw/zinc/95/90/40/411959040.db2.gz YVOYUSHTXPDZKX-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662222505 412031268 /nfs/dbraw/zinc/03/12/68/412031268.db2.gz FRZQTZSFEHMIPA-AWEZNQCLSA-N 2 1 238.375 1.489 20 0 BDADMP CO[C@@H](C[N@@H+]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000662235777 412035467 /nfs/dbraw/zinc/03/54/67/412035467.db2.gz SNCYKTGVRYRADU-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000662235777 412035470 /nfs/dbraw/zinc/03/54/70/412035470.db2.gz SNCYKTGVRYRADU-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+])C1CCC1 ZINC000662243415 412039756 /nfs/dbraw/zinc/03/97/56/412039756.db2.gz AGVYSEYWXJFPPA-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+])C1CCC1 ZINC000662243415 412039757 /nfs/dbraw/zinc/03/97/57/412039757.db2.gz AGVYSEYWXJFPPA-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H](C[N@@H+](C)CCC[NH3+])C1CCC1 ZINC000662243467 412040082 /nfs/dbraw/zinc/04/00/82/412040082.db2.gz BYBJQOGIJTUZKS-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)C1CCCC1 ZINC000662247558 412044131 /nfs/dbraw/zinc/04/41/31/412044131.db2.gz XPUFULZXVOHERZ-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252118 412048633 /nfs/dbraw/zinc/04/86/33/412048633.db2.gz MDHUSJSEGYTEJB-RYUDHWBXSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256600 412050892 /nfs/dbraw/zinc/05/08/92/412050892.db2.gz WSXCCYYUKDPVSW-JHJVBQTASA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])nc(C)n1 ZINC000662273991 412066142 /nfs/dbraw/zinc/06/61/42/412066142.db2.gz QXDPSSXUQYAIIM-AWEZNQCLSA-N 2 1 248.374 1.797 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])nc(C)n1 ZINC000662273991 412066146 /nfs/dbraw/zinc/06/61/46/412066146.db2.gz QXDPSSXUQYAIIM-AWEZNQCLSA-N 2 1 248.374 1.797 20 0 BDADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279006 412071566 /nfs/dbraw/zinc/07/15/66/412071566.db2.gz DYEJXHZEOFTFDQ-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358230046 171299333 /nfs/dbraw/zinc/29/93/33/171299333.db2.gz GNLWZALNCBPCME-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358230046 171299335 /nfs/dbraw/zinc/29/93/35/171299335.db2.gz GNLWZALNCBPCME-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000300360110 171307787 /nfs/dbraw/zinc/30/77/87/171307787.db2.gz UBHNYMVBXDYTAB-AVGNSLFASA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000300360110 171307788 /nfs/dbraw/zinc/30/77/88/171307788.db2.gz UBHNYMVBXDYTAB-AVGNSLFASA-N 2 1 228.380 1.874 20 0 BDADMP C[N@H+](CCC(=O)NC1CCCC1)CC(C)(C)[NH3+] ZINC000662293114 412082204 /nfs/dbraw/zinc/08/22/04/412082204.db2.gz OFBFWSDLMICTAQ-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+](CCC(=O)NC1CCCC1)CC(C)(C)[NH3+] ZINC000662293114 412082206 /nfs/dbraw/zinc/08/22/06/412082206.db2.gz OFBFWSDLMICTAQ-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)OCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662303372 412088298 /nfs/dbraw/zinc/08/82/98/412088298.db2.gz BAHFFIHVAGPSGJ-UHFFFAOYSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662303372 412088300 /nfs/dbraw/zinc/08/83/00/412088300.db2.gz BAHFFIHVAGPSGJ-UHFFFAOYSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CC1CCCCC1 ZINC000662304207 412089763 /nfs/dbraw/zinc/08/97/63/412089763.db2.gz MXWWMSFSCCNFKT-UHFFFAOYSA-N 2 1 208.349 1.990 20 0 BDADMP CCC1(CC)CCC[N@@H+](CCOCC[NH3+])C1 ZINC000662308913 412092533 /nfs/dbraw/zinc/09/25/33/412092533.db2.gz FZAZCNGGBLSSHA-UHFFFAOYSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000662312113 412094536 /nfs/dbraw/zinc/09/45/36/412094536.db2.gz FZVCNBHSNJWNCN-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000662312113 412094537 /nfs/dbraw/zinc/09/45/37/412094537.db2.gz FZVCNBHSNJWNCN-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CCc2ccccc21 ZINC000662324388 412103580 /nfs/dbraw/zinc/10/35/80/412103580.db2.gz WWILKFKFBRJNOB-CYBMUJFWSA-N 2 1 218.344 1.997 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]C/C=C\CO)c2ccccc21 ZINC000665238849 412181145 /nfs/dbraw/zinc/18/11/45/412181145.db2.gz FZQUDHUGIDULQQ-JXLSXLBDSA-N 2 1 218.300 1.269 20 0 BDADMP C[C@H]([NH2+]CC1(N)CCCC1)C1CC[NH+](C)CC1 ZINC000665249103 412195700 /nfs/dbraw/zinc/19/57/00/412195700.db2.gz JWAIRDVBKMDEHA-LBPRGKRZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CCC[NH2+]1 ZINC000665265237 412209300 /nfs/dbraw/zinc/20/93/00/412209300.db2.gz SSCQLRWBAUCSFH-FDYHWXHSSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CCC[NH2+]1 ZINC000665265244 412209410 /nfs/dbraw/zinc/20/94/10/412209410.db2.gz SSCQLRWBAUCSFH-YVECIDJPSA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000665281769 412224274 /nfs/dbraw/zinc/22/42/74/412224274.db2.gz KOENTXNFXWZTKR-UPJWGTAASA-N 3 1 227.396 1.338 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000665281771 412224967 /nfs/dbraw/zinc/22/49/67/412224967.db2.gz KOENTXNFXWZTKR-XQQFMLRXSA-N 3 1 227.396 1.338 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000665281533 412226487 /nfs/dbraw/zinc/22/64/87/412226487.db2.gz FULAGUMDFXHHHY-IJLUTSLNSA-N 2 1 236.363 1.852 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000665284043 412229068 /nfs/dbraw/zinc/22/90/68/412229068.db2.gz ZKXSHVZAYRERGI-IJLUTSLNSA-N 3 1 213.369 1.077 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665283155 412229549 /nfs/dbraw/zinc/22/95/49/412229549.db2.gz INEGHLOWWSZXQE-ZGVCCVRISA-N 3 1 225.380 1.232 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000333321664 172019141 /nfs/dbraw/zinc/01/91/41/172019141.db2.gz UPTNIQVAUVJJKH-CMPLNLGQSA-N 2 1 237.347 1.715 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000234206942 172164658 /nfs/dbraw/zinc/16/46/58/172164658.db2.gz CNXUFTMXRTZCAP-LBPRGKRZSA-N 2 1 222.336 1.074 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000234206942 172164659 /nfs/dbraw/zinc/16/46/59/172164659.db2.gz CNXUFTMXRTZCAP-LBPRGKRZSA-N 2 1 222.336 1.074 20 0 BDADMP CCn1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000291781213 172172248 /nfs/dbraw/zinc/17/22/48/172172248.db2.gz UYCUKLGPCBQSCH-NSHDSACASA-N 2 1 224.352 1.190 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000126891636 173007235 /nfs/dbraw/zinc/00/72/35/173007235.db2.gz WGGVFEUMAWLRLT-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H](F)C1 ZINC000336262591 173029086 /nfs/dbraw/zinc/02/90/86/173029086.db2.gz DHVRVRPEYZXFBR-WDEREUQCSA-N 2 1 200.301 1.515 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCOC3)CC[C@H]21 ZINC000336712391 173036002 /nfs/dbraw/zinc/03/60/02/173036002.db2.gz RWSBANOOBFVENB-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@H]21 ZINC000336712391 173036005 /nfs/dbraw/zinc/03/60/05/173036005.db2.gz RWSBANOOBFVENB-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@H]21 ZINC000336712391 173036006 /nfs/dbraw/zinc/03/60/06/173036006.db2.gz RWSBANOOBFVENB-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCO)CC[C@@H]21 ZINC000129154893 173036719 /nfs/dbraw/zinc/03/67/19/173036719.db2.gz JZZMLWICWPFGCU-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCO)CC[C@@H]21 ZINC000129154893 173036720 /nfs/dbraw/zinc/03/67/20/173036720.db2.gz JZZMLWICWPFGCU-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCO)CC[C@@H]21 ZINC000129154893 173036722 /nfs/dbraw/zinc/03/67/22/173036722.db2.gz JZZMLWICWPFGCU-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2)C1 ZINC000044537716 173042467 /nfs/dbraw/zinc/04/24/67/173042467.db2.gz YCZVTNKQJUMMGB-LLVKDONJSA-N 2 1 205.305 1.835 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCOC1 ZINC000336554754 173042880 /nfs/dbraw/zinc/04/28/80/173042880.db2.gz BJDRSPMXRBPURG-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000336554754 173042882 /nfs/dbraw/zinc/04/28/82/173042882.db2.gz BJDRSPMXRBPURG-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000336554754 173042885 /nfs/dbraw/zinc/04/28/85/173042885.db2.gz BJDRSPMXRBPURG-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000336250373 173052659 /nfs/dbraw/zinc/05/26/59/173052659.db2.gz LGXMCUYQHYORPA-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000336250373 173052661 /nfs/dbraw/zinc/05/26/61/173052661.db2.gz LGXMCUYQHYORPA-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000336250373 173052664 /nfs/dbraw/zinc/05/26/64/173052664.db2.gz LGXMCUYQHYORPA-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCCO)CC[C@@H]21 ZINC000129154690 173058875 /nfs/dbraw/zinc/05/88/75/173058875.db2.gz JZZMLWICWPFGCU-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCCO)CC[C@@H]21 ZINC000129154690 173058876 /nfs/dbraw/zinc/05/88/76/173058876.db2.gz JZZMLWICWPFGCU-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCO)CC[C@@H]21 ZINC000129154690 173058878 /nfs/dbraw/zinc/05/88/78/173058878.db2.gz JZZMLWICWPFGCU-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCN(CC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000226881599 173079830 /nfs/dbraw/zinc/07/98/30/173079830.db2.gz YAWRDKUULPJXES-AWEZNQCLSA-N 2 1 247.386 1.712 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037894289 173114395 /nfs/dbraw/zinc/11/43/95/173114395.db2.gz OUCMJTULPQWRHZ-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCCCCC2)C1 ZINC000335596502 173139727 /nfs/dbraw/zinc/13/97/27/173139727.db2.gz RYJOOFLUIJEEQE-CYBMUJFWSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCCCCC2)C1 ZINC000335596502 173139731 /nfs/dbraw/zinc/13/97/31/173139731.db2.gz RYJOOFLUIJEEQE-CYBMUJFWSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[Si](C)(C)C)C2)C1 ZINC000366479918 173141020 /nfs/dbraw/zinc/14/10/20/173141020.db2.gz HWNARSKFGMDTBY-GFCCVEGCSA-N 2 1 226.440 1.891 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[Si](C)(C)C)C2)C1 ZINC000366479918 173141022 /nfs/dbraw/zinc/14/10/22/173141022.db2.gz HWNARSKFGMDTBY-GFCCVEGCSA-N 2 1 226.440 1.891 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[Si](C)(C)C)C2)C1 ZINC000366479918 173141025 /nfs/dbraw/zinc/14/10/25/173141025.db2.gz HWNARSKFGMDTBY-GFCCVEGCSA-N 2 1 226.440 1.891 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[Si](C)(C)C)C2)C1 ZINC000366479918 173141027 /nfs/dbraw/zinc/14/10/27/173141027.db2.gz HWNARSKFGMDTBY-GFCCVEGCSA-N 2 1 226.440 1.891 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@@H]2CCC[C@H]21 ZINC000353609186 173151523 /nfs/dbraw/zinc/15/15/23/173151523.db2.gz BGZSDXQZMFMCRJ-MELADBBJSA-N 2 1 248.374 1.415 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCO)[C@@H]2CCC[C@H]21 ZINC000375849205 173152523 /nfs/dbraw/zinc/15/25/23/173152523.db2.gz GGDLRTYASSENRF-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@@H]2CCC[C@H]21 ZINC000367884931 173154560 /nfs/dbraw/zinc/15/45/60/173154560.db2.gz IXZCQJASWFEMET-XDQVBPFNSA-N 2 1 238.375 1.628 20 0 BDADMP Cn1cncc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000377796823 173154699 /nfs/dbraw/zinc/15/46/99/173154699.db2.gz VHXVJUVSOPUCBN-IHRRRGAJSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@@H]2CCC[C@H]21 ZINC000336774435 173155409 /nfs/dbraw/zinc/15/54/09/173155409.db2.gz WWPSURAKULBHPX-MROQNXINSA-N 2 1 240.416 1.954 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CCC(C)(C)O)[C@H]2C1 ZINC000375249110 173159479 /nfs/dbraw/zinc/15/94/79/173159479.db2.gz OCNGKBFDMONUDM-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CCC(C)(C)O)[C@H]2C1 ZINC000375249110 173159480 /nfs/dbraw/zinc/15/94/80/173159480.db2.gz OCNGKBFDMONUDM-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CCC(C)(C)O)[C@H]2C1 ZINC000375249110 173159481 /nfs/dbraw/zinc/15/94/81/173159481.db2.gz OCNGKBFDMONUDM-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CCC(C)(C)O)[C@H]2C1 ZINC000375249110 173159482 /nfs/dbraw/zinc/15/94/82/173159482.db2.gz OCNGKBFDMONUDM-RYUDHWBXSA-N 2 1 226.364 1.173 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000278551819 173198420 /nfs/dbraw/zinc/19/84/20/173198420.db2.gz DPZIPQOKHOMPCQ-BETUJISGSA-N 2 1 219.332 1.019 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000278551819 173198423 /nfs/dbraw/zinc/19/84/23/173198423.db2.gz DPZIPQOKHOMPCQ-BETUJISGSA-N 2 1 219.332 1.019 20 0 BDADMP Cn1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000278551819 173198424 /nfs/dbraw/zinc/19/84/24/173198424.db2.gz DPZIPQOKHOMPCQ-BETUJISGSA-N 2 1 219.332 1.019 20 0 BDADMP Cn1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000278551819 173198427 /nfs/dbraw/zinc/19/84/27/173198427.db2.gz DPZIPQOKHOMPCQ-BETUJISGSA-N 2 1 219.332 1.019 20 0 BDADMP CNC(=O)c1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342134609 173310723 /nfs/dbraw/zinc/31/07/23/173310723.db2.gz KQTIVELGRPNXOO-UHFFFAOYSA-N 2 1 247.342 1.017 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)nc2)C1 ZINC000228858194 173368179 /nfs/dbraw/zinc/36/81/79/173368179.db2.gz OYIKXMWXNNUYIM-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000228858194 173368180 /nfs/dbraw/zinc/36/81/80/173368180.db2.gz OYIKXMWXNNUYIM-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000011892015 173370726 /nfs/dbraw/zinc/37/07/26/173370726.db2.gz OPSCRSBOSUFKJQ-AWEZNQCLSA-N 2 1 248.370 1.779 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000011891968 173371357 /nfs/dbraw/zinc/37/13/57/173371357.db2.gz NESTYQZIPTWODS-LBPRGKRZSA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000011891968 173371359 /nfs/dbraw/zinc/37/13/59/173371359.db2.gz NESTYQZIPTWODS-LBPRGKRZSA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000040592250 173378603 /nfs/dbraw/zinc/37/86/03/173378603.db2.gz DBZXKYGMDKUICI-CYBMUJFWSA-N 2 1 234.343 1.824 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000040592250 173378604 /nfs/dbraw/zinc/37/86/04/173378604.db2.gz DBZXKYGMDKUICI-CYBMUJFWSA-N 2 1 234.343 1.824 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000093651340 173378806 /nfs/dbraw/zinc/37/88/06/173378806.db2.gz NONZLYSFOKYFJI-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000093651340 173378808 /nfs/dbraw/zinc/37/88/08/173378808.db2.gz NONZLYSFOKYFJI-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000053013060 173382271 /nfs/dbraw/zinc/38/22/71/173382271.db2.gz PLHFIKUJIFYWKQ-GFCCVEGCSA-N 2 1 205.305 1.123 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000053013060 173382272 /nfs/dbraw/zinc/38/22/72/173382272.db2.gz PLHFIKUJIFYWKQ-GFCCVEGCSA-N 2 1 205.305 1.123 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000300360430 174177876 /nfs/dbraw/zinc/17/78/76/174177876.db2.gz YJVBPVVAPZAPNA-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000336745060 174180607 /nfs/dbraw/zinc/18/06/07/174180607.db2.gz QMJXUTWMQSSCLL-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000117879375 174190225 /nfs/dbraw/zinc/19/02/25/174190225.db2.gz ZGPPRQGEGSJITI-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP COCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082533705 174229539 /nfs/dbraw/zinc/22/95/39/174229539.db2.gz SAYKNJKVZCVBQO-UHFFFAOYSA-N 2 1 212.337 1.098 20 0 BDADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309635783 174250434 /nfs/dbraw/zinc/25/04/34/174250434.db2.gz JKVPXHUFCBPUPH-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP COCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127769093 174251636 /nfs/dbraw/zinc/25/16/36/174251636.db2.gz BEFOBKPGNYDWAI-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000234699087 174297931 /nfs/dbraw/zinc/29/79/31/174297931.db2.gz MBAKWNSZSLGKAI-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358179070 174363434 /nfs/dbraw/zinc/36/34/34/174363434.db2.gz QXDDADCXFCIXKM-AVGNSLFASA-N 2 1 244.379 1.110 20 0 BDADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358179070 174363435 /nfs/dbraw/zinc/36/34/35/174363435.db2.gz QXDDADCXFCIXKM-AVGNSLFASA-N 2 1 244.379 1.110 20 0 BDADMP CSCCC[NH2+]C1CC[NH+](C)CC1 ZINC000097150290 175486720 /nfs/dbraw/zinc/48/67/20/175486720.db2.gz ASTBISGPXATTJW-UHFFFAOYSA-N 2 1 202.367 1.423 20 0 in-man BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000309786562 176144468 /nfs/dbraw/zinc/14/44/68/176144468.db2.gz OFOFRRBAKJGJPX-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000309786562 176144470 /nfs/dbraw/zinc/14/44/70/176144470.db2.gz OFOFRRBAKJGJPX-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)O1 ZINC000336713022 176204438 /nfs/dbraw/zinc/20/44/38/176204438.db2.gz OCHACNPZQKRABO-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)O1 ZINC000336713022 176204439 /nfs/dbraw/zinc/20/44/39/176204439.db2.gz OCHACNPZQKRABO-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)O1 ZINC000336713022 176204440 /nfs/dbraw/zinc/20/44/40/176204440.db2.gz OCHACNPZQKRABO-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000122724173 176268455 /nfs/dbraw/zinc/26/84/55/176268455.db2.gz DYBJELZNVMGADH-PWSUYJOCSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000122724173 176268457 /nfs/dbraw/zinc/26/84/57/176268457.db2.gz DYBJELZNVMGADH-PWSUYJOCSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000359945966 176273977 /nfs/dbraw/zinc/27/39/77/176273977.db2.gz YVWUUPNZZJMQQN-ZOBORPQBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000359945966 176273979 /nfs/dbraw/zinc/27/39/79/176273979.db2.gz YVWUUPNZZJMQQN-ZOBORPQBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359945966 176273980 /nfs/dbraw/zinc/27/39/80/176273980.db2.gz YVWUUPNZZJMQQN-ZOBORPQBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359945966 176273982 /nfs/dbraw/zinc/27/39/82/176273982.db2.gz YVWUUPNZZJMQQN-ZOBORPQBSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336781092 176274997 /nfs/dbraw/zinc/27/49/97/176274997.db2.gz TXZZPWSEVLZXQR-NDBYEHHHSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336781092 176274998 /nfs/dbraw/zinc/27/49/98/176274998.db2.gz TXZZPWSEVLZXQR-NDBYEHHHSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336781092 176275000 /nfs/dbraw/zinc/27/50/00/176275000.db2.gz TXZZPWSEVLZXQR-NDBYEHHHSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000353653501 176279089 /nfs/dbraw/zinc/27/90/89/176279089.db2.gz CTMGSVVXPOTIMW-WZRBSPASSA-N 2 1 236.363 1.271 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000020593522 176287947 /nfs/dbraw/zinc/28/79/47/176287947.db2.gz MOPRGPJPFXJIDQ-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251702649 176294519 /nfs/dbraw/zinc/29/45/19/176294519.db2.gz OEKOXZOGQCYOCW-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000051890109 176297192 /nfs/dbraw/zinc/29/71/92/176297192.db2.gz RHFYLIPQKYVUJS-GHMZBOCLSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000051890109 176297193 /nfs/dbraw/zinc/29/71/93/176297193.db2.gz RHFYLIPQKYVUJS-GHMZBOCLSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cncs2)C[C@@]1(C)C[NH3+] ZINC000309053446 176310568 /nfs/dbraw/zinc/31/05/68/176310568.db2.gz RGFLOXODBIHXFV-MWLCHTKSSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncs2)C[C@@]1(C)C[NH3+] ZINC000309053446 176310570 /nfs/dbraw/zinc/31/05/70/176310570.db2.gz RGFLOXODBIHXFV-MWLCHTKSSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050952656 176336526 /nfs/dbraw/zinc/33/65/26/176336526.db2.gz JCHWANPHKHJOPX-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000309733763 176340718 /nfs/dbraw/zinc/34/07/18/176340718.db2.gz BUVIQXSGDQZPHM-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336676087 176361261 /nfs/dbraw/zinc/36/12/61/176361261.db2.gz CFAIDCLMASFNLX-YRGRVCCFSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336676087 176361263 /nfs/dbraw/zinc/36/12/63/176361263.db2.gz CFAIDCLMASFNLX-YRGRVCCFSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cnn(C)c2)CC[NH2+]1 ZINC000235380061 176367250 /nfs/dbraw/zinc/36/72/50/176367250.db2.gz XMTQVRCUQVIQIJ-NEPJUHHUSA-N 2 1 236.363 1.240 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCCN2C)CC[NH2+]1 ZINC000235379312 176367606 /nfs/dbraw/zinc/36/76/06/176367606.db2.gz IAVZSUDDKMXQJI-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000235380317 176367865 /nfs/dbraw/zinc/36/78/65/176367865.db2.gz CDCPFULDZKEZAO-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCOCC2)CC[NH2+]1 ZINC000235381126 176368531 /nfs/dbraw/zinc/36/85/31/176368531.db2.gz LABWZZZYTRIHGJ-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCC2)CC[N@@H+]1C ZINC000353510908 176379011 /nfs/dbraw/zinc/37/90/11/176379011.db2.gz OKVKEMPVEURROO-KWCYVHTRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCC2)CC[N@H+]1C ZINC000353510908 176379013 /nfs/dbraw/zinc/37/90/13/176379013.db2.gz OKVKEMPVEURROO-KWCYVHTRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)C1 ZINC000358171245 177065078 /nfs/dbraw/zinc/06/50/78/177065078.db2.gz SYUVQBCWJORDRU-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)C1 ZINC000358171245 177065079 /nfs/dbraw/zinc/06/50/79/177065079.db2.gz SYUVQBCWJORDRU-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)co1 ZINC000310345187 487636917 /nfs/dbraw/zinc/63/69/17/487636917.db2.gz PBOSKHDJLDLKSR-LLVKDONJSA-N 2 1 223.320 1.544 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336693688 177183201 /nfs/dbraw/zinc/18/32/01/177183201.db2.gz HZHNBXCIFLHXOL-MBNYWOFBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336693688 177183203 /nfs/dbraw/zinc/18/32/03/177183203.db2.gz HZHNBXCIFLHXOL-MBNYWOFBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336693688 177183205 /nfs/dbraw/zinc/18/32/05/177183205.db2.gz HZHNBXCIFLHXOL-MBNYWOFBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336693688 177183207 /nfs/dbraw/zinc/18/32/07/177183207.db2.gz HZHNBXCIFLHXOL-MBNYWOFBSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358077750 177233722 /nfs/dbraw/zinc/23/37/22/177233722.db2.gz CAPDZILEYFGOKQ-SWLSCSKDSA-N 2 1 248.370 1.865 20 0 BDADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952304 177248517 /nfs/dbraw/zinc/24/85/17/177248517.db2.gz PMKWMTHLIBIMAP-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C(C)(C)C1 ZINC000335664913 177252043 /nfs/dbraw/zinc/25/20/43/177252043.db2.gz YJQSGKLKLQAZFY-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251661601 177254453 /nfs/dbraw/zinc/25/44/53/177254453.db2.gz GWYJDDLMWLDDIN-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000049708641 177265769 /nfs/dbraw/zinc/26/57/69/177265769.db2.gz PNZCRCNGURWMQT-GWCFXTLKSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000049708641 177265770 /nfs/dbraw/zinc/26/57/70/177265770.db2.gz PNZCRCNGURWMQT-GWCFXTLKSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1COCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000334370730 177288852 /nfs/dbraw/zinc/28/88/52/177288852.db2.gz PANMSGXEJFWNRP-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1COCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000334370730 177288855 /nfs/dbraw/zinc/28/88/55/177288855.db2.gz PANMSGXEJFWNRP-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1COCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000334370730 177288857 /nfs/dbraw/zinc/28/88/57/177288857.db2.gz PANMSGXEJFWNRP-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C[C@@H](C)C1 ZINC000358171250 177317995 /nfs/dbraw/zinc/31/79/95/177317995.db2.gz SYUVQBCWJORDRU-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000358171250 177317996 /nfs/dbraw/zinc/31/79/96/177317996.db2.gz SYUVQBCWJORDRU-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CC[N@@H+]1C ZINC000129520367 177330447 /nfs/dbraw/zinc/33/04/47/177330447.db2.gz ZNAWAEVKCQSJIF-QCXCNERSSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CC[N@H+]1C ZINC000129520367 177330450 /nfs/dbraw/zinc/33/04/50/177330450.db2.gz ZNAWAEVKCQSJIF-QCXCNERSSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1 ZINC000036908248 177332960 /nfs/dbraw/zinc/33/29/60/177332960.db2.gz JUDJIKLDQGSGHR-MBNYWOFBSA-N 2 1 233.359 1.900 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1 ZINC000036908248 177332961 /nfs/dbraw/zinc/33/29/61/177332961.db2.gz JUDJIKLDQGSGHR-MBNYWOFBSA-N 2 1 233.359 1.900 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@@H](C)C1 ZINC000358254001 177355840 /nfs/dbraw/zinc/35/58/40/177355840.db2.gz PIQHBSDJIYFQPZ-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000358254001 177355842 /nfs/dbraw/zinc/35/58/42/177355842.db2.gz PIQHBSDJIYFQPZ-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccn2)CC[NH2+]1 ZINC000235659902 177361067 /nfs/dbraw/zinc/36/10/67/177361067.db2.gz CVVUTSXZVYSSHJ-QWHCGFSZSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(F)(F)F ZINC000123535975 177361661 /nfs/dbraw/zinc/36/16/61/177361661.db2.gz GSMBCXBVANFBCU-JGVFFNPUSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCCOCC2)CC[NH2+]1 ZINC000235661782 177362040 /nfs/dbraw/zinc/36/20/40/177362040.db2.gz LABWZZZYTRIHGJ-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000158511649 177370011 /nfs/dbraw/zinc/37/00/11/177370011.db2.gz ZFCBOZLCYLJTHN-DYEKYZERSA-N 2 1 235.375 1.843 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000400341538 225015828 /nfs/dbraw/zinc/01/58/28/225015828.db2.gz HLOIFJBDCWGSRZ-NOOOWODRSA-N 2 1 226.364 1.530 20 0 BDADMP Cc1nc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cs1 ZINC000400341343 225016216 /nfs/dbraw/zinc/01/62/16/225016216.db2.gz IULJVNLWJROIPV-BXKDBHETSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400404350 225167095 /nfs/dbraw/zinc/16/70/95/225167095.db2.gz RGBIKFLGQQGGGP-OCCSQVGLSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000400748299 226351116 /nfs/dbraw/zinc/35/11/16/226351116.db2.gz UYTZWNWYQXJXSB-WKSBVSIWSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@H]1CCC[NH2+]1 ZINC000400748295 226351247 /nfs/dbraw/zinc/35/12/47/226351247.db2.gz UYTZWNWYQXJXSB-SQNXGDPESA-N 2 1 224.348 1.284 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000314980957 487669024 /nfs/dbraw/zinc/66/90/24/487669024.db2.gz XNMSAOJEDQLSFF-NWDGAFQWSA-N 2 1 236.363 1.022 20 0 BDADMP C[C@H]1CN(CCCc2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC000314990739 487669067 /nfs/dbraw/zinc/66/90/67/487669067.db2.gz YVQCSTQPBFSYRX-RYUDHWBXSA-N 2 1 236.363 1.035 20 0 BDADMP Cc1cccnc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000404950867 229239139 /nfs/dbraw/zinc/23/91/39/229239139.db2.gz QHGSBEMLFHPSDD-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000510112501 229293338 /nfs/dbraw/zinc/29/33/38/229293338.db2.gz LLXZZQCGWAGBMI-OKILXGFUSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CNC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000401705191 487684457 /nfs/dbraw/zinc/68/44/57/487684457.db2.gz RGKHQGAEJNHQDY-SMDDNHRTSA-N 2 1 236.334 1.956 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000401705191 487684460 /nfs/dbraw/zinc/68/44/60/487684460.db2.gz RGKHQGAEJNHQDY-SMDDNHRTSA-N 2 1 236.334 1.956 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328458484 487689123 /nfs/dbraw/zinc/68/91/23/487689123.db2.gz GGEZITMHNUVNJQ-YIYPIFLZSA-N 2 1 238.375 1.364 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328458484 487689127 /nfs/dbraw/zinc/68/91/27/487689127.db2.gz GGEZITMHNUVNJQ-YIYPIFLZSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccnc2)C[C@H]1C[NH3+] ZINC000397358630 262924413 /nfs/dbraw/zinc/92/44/13/262924413.db2.gz FVNFQOYOBFTMDF-MBNYWOFBSA-N 2 1 233.359 1.887 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000082645536 487703910 /nfs/dbraw/zinc/70/39/10/487703910.db2.gz PURVJFXYJLCJNY-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP CC[N@H+](C[C@H]1CCCO1)C[C@H]1CC[NH2+]C1 ZINC000249816339 487724490 /nfs/dbraw/zinc/72/44/90/487724490.db2.gz JKPLZCDCHLMLPS-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249816342 487725042 /nfs/dbraw/zinc/72/50/42/487725042.db2.gz JKPLZCDCHLMLPS-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250366628 487730307 /nfs/dbraw/zinc/73/03/07/487730307.db2.gz PATZABMBWIVXPY-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)CCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250608620 487735338 /nfs/dbraw/zinc/73/53/38/487735338.db2.gz YBOZNZJMGUKOFS-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)CCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250608620 487735342 /nfs/dbraw/zinc/73/53/42/487735342.db2.gz YBOZNZJMGUKOFS-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000649506808 487756751 /nfs/dbraw/zinc/75/67/51/487756751.db2.gz YBPACYVAVNSOBE-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CO[C@@H](C[N@H+](C)C1CC([NH3+])C1)c1ccccc1 ZINC000385018202 487760768 /nfs/dbraw/zinc/76/07/68/487760768.db2.gz ODYPNEMLYAKUID-RUXDESIVSA-N 2 1 234.343 1.796 20 0 BDADMP CO[C@@H](C[N@@H+](C)C1CC([NH3+])C1)c1ccccc1 ZINC000385018202 487760773 /nfs/dbraw/zinc/76/07/73/487760773.db2.gz ODYPNEMLYAKUID-RUXDESIVSA-N 2 1 234.343 1.796 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000459512447 487768167 /nfs/dbraw/zinc/76/81/67/487768167.db2.gz NJOFBMHBYZQCAU-NWDGAFQWSA-N 2 1 237.347 1.366 20 0 BDADMP C[NH2+]C1CC[NH+](CCOCc2ccccc2)CC1 ZINC000309877228 487779754 /nfs/dbraw/zinc/77/97/54/487779754.db2.gz IJWITPAMLJNNKV-UHFFFAOYSA-N 2 1 248.370 1.887 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251679202 487788672 /nfs/dbraw/zinc/78/86/72/487788672.db2.gz HVBFUIDPJCYZCG-ZIAGYGMSSA-N 2 1 233.359 1.683 20 0 BDADMP COCC[N@@H+](CCC[NH3+])[C@H]1CCCSC1 ZINC000414757730 487821330 /nfs/dbraw/zinc/82/13/30/487821330.db2.gz BKORGPAPBICPRJ-NSHDSACASA-N 2 1 232.393 1.179 20 0 BDADMP C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1CCC[NH3+] ZINC000414757569 487822139 /nfs/dbraw/zinc/82/21/39/487822139.db2.gz LJELVOXNQUQKOQ-DTWKUNHWSA-N 2 1 224.270 1.998 20 0 BDADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CCC[NH3+])C1 ZINC000414757897 487822235 /nfs/dbraw/zinc/82/22/35/487822235.db2.gz UEVGWICEVMTCLN-SYQHCUMBSA-N 2 1 240.391 1.597 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000414919944 487828413 /nfs/dbraw/zinc/82/84/13/487828413.db2.gz WEFWREVRIFJSHN-GHMZBOCLSA-N 2 1 222.336 1.088 20 0 BDADMP CCC[C@H](C)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252688248 487828855 /nfs/dbraw/zinc/82/88/55/487828855.db2.gz NQOJJOWFZAHZOL-SRVKXCTJSA-N 2 1 214.353 1.471 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252688248 487828861 /nfs/dbraw/zinc/82/88/61/487828861.db2.gz NQOJJOWFZAHZOL-SRVKXCTJSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]1SCC[N@@H+](C[C@H]2CC[NH2+]C2)[C@H]1C ZINC000252682476 487828873 /nfs/dbraw/zinc/82/88/73/487828873.db2.gz CCSVXVCDJIGQOH-DCAQKATOSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252783002 487833404 /nfs/dbraw/zinc/83/34/04/487833404.db2.gz SKNMXKYBBQULEA-DMDPSCGWSA-N 2 1 219.332 1.812 20 0 BDADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cn1 ZINC000415062496 487834875 /nfs/dbraw/zinc/83/48/75/487834875.db2.gz FKHYTLYKOXRRHN-CQSZACIVSA-N 2 1 233.359 1.997 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167602691 487854172 /nfs/dbraw/zinc/85/41/72/487854172.db2.gz XCXTZMWZWJIXEH-UTUOFQBUSA-N 2 1 214.353 1.186 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253126519 487855027 /nfs/dbraw/zinc/85/50/27/487855027.db2.gz RLWNKAQYLLBYLB-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC(C)(C)C1 ZINC000395439268 487858212 /nfs/dbraw/zinc/85/82/12/487858212.db2.gz PWYBXTSRQYORSG-CYBMUJFWSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000395439268 487858219 /nfs/dbraw/zinc/85/82/19/487858219.db2.gz PWYBXTSRQYORSG-CYBMUJFWSA-N 2 1 242.407 1.808 20 0 BDADMP OCCC[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000682028256 487882117 /nfs/dbraw/zinc/88/21/17/487882117.db2.gz BBHXGWKELMSJFA-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666832324 487887550 /nfs/dbraw/zinc/88/75/50/487887550.db2.gz IRJAXGNTWYBRKN-SECBINFHSA-N 2 1 239.388 1.849 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1ncccc1C(F)(F)F ZINC000666831878 487888514 /nfs/dbraw/zinc/88/85/14/487888514.db2.gz FISHGPVPSDPTDU-QMMMGPOBSA-N 2 1 247.264 1.927 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666831969 487888330 /nfs/dbraw/zinc/88/83/30/487888330.db2.gz SHYUHBWTOCOVIT-SECBINFHSA-N 2 1 236.294 1.300 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857762 487891769 /nfs/dbraw/zinc/89/17/69/487891769.db2.gz IIJDIUJFZPQFGC-IHRRRGAJSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857762 487891772 /nfs/dbraw/zinc/89/17/72/487891772.db2.gz IIJDIUJFZPQFGC-IHRRRGAJSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000666857762 487891777 /nfs/dbraw/zinc/89/17/77/487891777.db2.gz IIJDIUJFZPQFGC-IHRRRGAJSA-N 3 1 239.407 1.448 20 0 BDADMP C[N@H+](Cc1ccccc1C1CC1)C[C@@H](O)C[NH3+] ZINC000666988629 487922641 /nfs/dbraw/zinc/92/26/41/487922641.db2.gz BLHPPZRMELTXPV-ZDUSSCGKSA-N 2 1 234.343 1.315 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000157895738 487927809 /nfs/dbraw/zinc/92/78/09/487927809.db2.gz UDUZUBLTTLYUAW-YPMHNXCESA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000157895738 487927815 /nfs/dbraw/zinc/92/78/15/487927815.db2.gz UDUZUBLTTLYUAW-YPMHNXCESA-N 2 1 219.332 1.641 20 0 BDADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCF)C1 ZINC000652363589 487933023 /nfs/dbraw/zinc/93/30/23/487933023.db2.gz IXSXHBLSFDOIML-AGIUHOORSA-N 2 1 244.354 1.707 20 0 BDADMP CC(C)CCOCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000049266393 487944394 /nfs/dbraw/zinc/94/43/94/487944394.db2.gz JHFIHKPHDIKBAV-ZDUSSCGKSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[NH2+]1 ZINC000235411973 487953466 /nfs/dbraw/zinc/95/34/66/487953466.db2.gz IDOZEGXSKGZWKG-NXEZZACHSA-N 2 1 235.335 1.095 20 0 BDADMP COC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000561983877 323009947 /nfs/dbraw/zinc/00/99/47/323009947.db2.gz ZALUNDCYIVDFES-FRRDWIJNSA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000561983877 323009948 /nfs/dbraw/zinc/00/99/48/323009948.db2.gz ZALUNDCYIVDFES-FRRDWIJNSA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000561983877 323009949 /nfs/dbraw/zinc/00/99/49/323009949.db2.gz ZALUNDCYIVDFES-FRRDWIJNSA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000561983877 323009950 /nfs/dbraw/zinc/00/99/50/323009950.db2.gz ZALUNDCYIVDFES-FRRDWIJNSA-N 2 1 228.380 1.541 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCCCO)[C@@H](C)C1 ZINC000248745024 323032837 /nfs/dbraw/zinc/03/28/37/323032837.db2.gz NCFYUCDKFQUMNX-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP COC(=O)CC1([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000572726006 323037466 /nfs/dbraw/zinc/03/74/66/323037466.db2.gz DPJSGYLWMREFIP-NSHDSACASA-N 2 1 240.347 1.156 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000570092900 323049958 /nfs/dbraw/zinc/04/99/58/323049958.db2.gz AVNRUJDLJLZNEM-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000570510015 323061762 /nfs/dbraw/zinc/06/17/62/323061762.db2.gz SYHNPLIEHXQDQA-RWMBFGLXSA-N 2 1 226.364 1.076 20 0 BDADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000570510015 323061763 /nfs/dbraw/zinc/06/17/63/323061763.db2.gz SYHNPLIEHXQDQA-RWMBFGLXSA-N 2 1 226.364 1.076 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)on1 ZINC000570529886 323062452 /nfs/dbraw/zinc/06/24/52/323062452.db2.gz ZKLRSROJCVWGTM-ONGXEEELSA-N 2 1 223.320 1.597 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CSC)C1 ZINC000562984715 323078060 /nfs/dbraw/zinc/07/80/60/323078060.db2.gz FMFLQCHANWEYTF-RYUDHWBXSA-N 2 1 246.420 1.032 20 0 BDADMP CC[C@@H](C)C[NH2+]CCC[N@@H+](C)CCOC ZINC000093061418 323088201 /nfs/dbraw/zinc/08/82/01/323088201.db2.gz DZMBBGUYTLNOMW-GFCCVEGCSA-N 2 1 216.369 1.590 20 0 BDADMP C[C@H]([NH3+])c1ccc(OCc2noc(C[NH3+])n2)cc1 ZINC000563145952 323095464 /nfs/dbraw/zinc/09/54/64/323095464.db2.gz HJHFBRSMOPSJPH-QMMMGPOBSA-N 2 1 248.286 1.127 20 0 BDADMP CC(C)OCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397392265 323108155 /nfs/dbraw/zinc/10/81/55/323108155.db2.gz NZGPOMKLSBCKGI-AVGNSLFASA-N 2 1 228.380 1.717 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCSC1 ZINC000563353763 323120370 /nfs/dbraw/zinc/12/03/70/323120370.db2.gz PEERBJPOTXXCPC-LBPRGKRZSA-N 2 1 239.388 1.790 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCSC1 ZINC000563353763 323120371 /nfs/dbraw/zinc/12/03/71/323120371.db2.gz PEERBJPOTXXCPC-LBPRGKRZSA-N 2 1 239.388 1.790 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C1(CO)CCC1 ZINC000563365137 323121170 /nfs/dbraw/zinc/12/11/70/323121170.db2.gz PELKHVHVULTVKX-UHFFFAOYSA-N 2 1 237.347 1.200 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1(CO)CCC1 ZINC000563365137 323121171 /nfs/dbraw/zinc/12/11/71/323121171.db2.gz PELKHVHVULTVKX-UHFFFAOYSA-N 2 1 237.347 1.200 20 0 BDADMP COC[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000309973378 323122859 /nfs/dbraw/zinc/12/28/59/323122859.db2.gz QWMUJYNJZMMKAP-LBPRGKRZSA-N 2 1 225.336 1.223 20 0 BDADMP CCc1ncc(CNC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000567141360 323129826 /nfs/dbraw/zinc/12/98/26/323129826.db2.gz XYILZJLZABJOJE-LBPRGKRZSA-N 2 1 248.374 1.470 20 0 BDADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000567141360 323129827 /nfs/dbraw/zinc/12/98/27/323129827.db2.gz XYILZJLZABJOJE-LBPRGKRZSA-N 2 1 248.374 1.470 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000571225897 323138734 /nfs/dbraw/zinc/13/87/34/323138734.db2.gz DTNCPASGLWPPQV-OLZOCXBDSA-N 2 1 244.342 1.694 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000518804722 323142656 /nfs/dbraw/zinc/14/26/56/323142656.db2.gz ZSSWHAYWHIDGKH-NSHDSACASA-N 2 1 202.342 1.152 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000308483207 323174897 /nfs/dbraw/zinc/17/48/97/323174897.db2.gz MJXRCERDGLLKAD-LLVKDONJSA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000308483207 323174898 /nfs/dbraw/zinc/17/48/98/323174898.db2.gz MJXRCERDGLLKAD-LLVKDONJSA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C(C)C ZINC000308483207 323174899 /nfs/dbraw/zinc/17/48/99/323174899.db2.gz MJXRCERDGLLKAD-LLVKDONJSA-N 2 1 202.342 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C(C)C ZINC000308483207 323174900 /nfs/dbraw/zinc/17/49/00/323174900.db2.gz MJXRCERDGLLKAD-LLVKDONJSA-N 2 1 202.342 1.029 20 0 BDADMP CC1(C)CC(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000530220366 323217875 /nfs/dbraw/zinc/21/78/75/323217875.db2.gz UEVCGKKOEAYMLD-TXEJJXNPSA-N 2 1 208.349 1.574 20 0 BDADMP CCOC(=O)CCCCC[N@@H+](C)C1CC([NH3+])C1 ZINC000395395432 323225655 /nfs/dbraw/zinc/22/56/55/323225655.db2.gz WDLJALUVZJDTBZ-UHFFFAOYSA-N 2 1 242.363 1.531 20 0 BDADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000532531146 323274432 /nfs/dbraw/zinc/27/44/32/323274432.db2.gz SBQRJQNMRXEMOI-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000532531146 323274436 /nfs/dbraw/zinc/27/44/36/323274436.db2.gz SBQRJQNMRXEMOI-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000532531146 323274440 /nfs/dbraw/zinc/27/44/40/323274440.db2.gz SBQRJQNMRXEMOI-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1(C2CC2)CC1 ZINC000309163353 323321786 /nfs/dbraw/zinc/32/17/86/323321786.db2.gz HWRLOEWTNRXQHQ-UHFFFAOYSA-N 2 1 205.305 1.724 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000300140645 323365827 /nfs/dbraw/zinc/36/58/27/323365827.db2.gz NFLYSROMDVKDLP-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@H](C)C(C)(C)C)C[C@H]1C[NH3+] ZINC000405865515 487961157 /nfs/dbraw/zinc/96/11/57/487961157.db2.gz PGEUASZDAUBGGH-YNEHKIRRSA-N 2 1 242.407 1.964 20 0 BDADMP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cs1 ZINC000400341348 324166754 /nfs/dbraw/zinc/16/67/54/324166754.db2.gz IULJVNLWJROIPV-JOYOIKCWSA-N 2 1 239.388 1.724 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530217988 324534795 /nfs/dbraw/zinc/53/47/95/324534795.db2.gz HYPZGCDEEHVTKY-VXGBXAGGSA-N 2 1 224.348 1.286 20 0 BDADMP Cc1cccc(CN[C@@H](C)C[C@@H]2COCC[NH2+]2)n1 ZINC000133952979 325333518 /nfs/dbraw/zinc/33/35/18/325333518.db2.gz IYWDZQYISRYFAV-GXTWGEPZSA-N 2 1 249.358 1.247 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(F)c1F ZINC000564640949 325800607 /nfs/dbraw/zinc/80/06/07/325800607.db2.gz QHAMCTLKIFNYRZ-QMMMGPOBSA-N 2 1 214.259 1.649 20 0 BDADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000309456578 487970169 /nfs/dbraw/zinc/97/01/69/487970169.db2.gz NUUUMVKNFUZQQH-WCQYABFASA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000309456578 487970172 /nfs/dbraw/zinc/97/01/72/487970172.db2.gz NUUUMVKNFUZQQH-WCQYABFASA-N 2 1 228.380 1.325 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566244665 326022807 /nfs/dbraw/zinc/02/28/07/326022807.db2.gz NPWUPEHQDXRDII-GFCCVEGCSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CCNCC1 ZINC000566244665 326022808 /nfs/dbraw/zinc/02/28/08/326022808.db2.gz NPWUPEHQDXRDII-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCNCC1 ZINC000566244665 326022811 /nfs/dbraw/zinc/02/28/11/326022811.db2.gz NPWUPEHQDXRDII-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C(C[N@@H+](C1CC1)C1CCCC1)N1CC[NH2+]CC1 ZINC000566246054 326022901 /nfs/dbraw/zinc/02/29/01/326022901.db2.gz BPSPQIJUSLLJGW-UHFFFAOYSA-N 2 1 237.391 1.299 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000566648781 326071317 /nfs/dbraw/zinc/07/13/17/326071317.db2.gz CVCSRHHNYLDSAL-MELADBBJSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000566648781 326071319 /nfs/dbraw/zinc/07/13/19/326071319.db2.gz CVCSRHHNYLDSAL-MELADBBJSA-N 2 1 241.423 1.787 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(O)C1 ZINC000154412183 326143162 /nfs/dbraw/zinc/14/31/62/326143162.db2.gz GOHGRIBFTPUJTC-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000154412183 326143165 /nfs/dbraw/zinc/14/31/65/326143165.db2.gz GOHGRIBFTPUJTC-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](C)(O)C1 ZINC000154412183 326143167 /nfs/dbraw/zinc/14/31/67/326143167.db2.gz GOHGRIBFTPUJTC-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000567521032 326209591 /nfs/dbraw/zinc/20/95/91/326209591.db2.gz NNKKZLHXEODETB-GFCCVEGCSA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000567521032 326209592 /nfs/dbraw/zinc/20/95/92/326209592.db2.gz NNKKZLHXEODETB-GFCCVEGCSA-N 2 1 228.380 1.277 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2(F)CC2)CC12CCOCC2 ZINC000567588629 326224047 /nfs/dbraw/zinc/22/40/47/326224047.db2.gz CXOVQRGKPAGKDC-NSHDSACASA-N 2 1 242.338 1.176 20 0 BDADMP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)o1 ZINC000567645947 326238228 /nfs/dbraw/zinc/23/82/28/326238228.db2.gz LAMORFKILDFUEE-YPMHNXCESA-N 2 1 222.332 1.861 20 0 BDADMP CC(C)(C)[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000567710017 326249510 /nfs/dbraw/zinc/24/95/10/326249510.db2.gz BCTPAYNOUIBPNU-UHFFFAOYSA-N 2 1 213.369 1.141 20 0 BDADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000314228152 326294797 /nfs/dbraw/zinc/29/47/97/326294797.db2.gz WSDGKTSGZFEXOY-VXGBXAGGSA-N 2 1 237.347 1.367 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H](C)C1 ZINC000568165558 326317782 /nfs/dbraw/zinc/31/77/82/326317782.db2.gz QOJHBSWHKQPYDM-IHRRRGAJSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000568165558 326317785 /nfs/dbraw/zinc/31/77/85/326317785.db2.gz QOJHBSWHKQPYDM-IHRRRGAJSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000568165558 326317788 /nfs/dbraw/zinc/31/77/88/326317788.db2.gz QOJHBSWHKQPYDM-IHRRRGAJSA-N 2 1 242.407 1.667 20 0 BDADMP Cc1ncc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1C ZINC000568272911 326338874 /nfs/dbraw/zinc/33/88/74/326338874.db2.gz CUFHVGCWOGMHCB-YHWZYXNKSA-N 2 1 248.374 1.443 20 0 BDADMP Cc1ccc(NCCC[NH2+]CC2(O)CCC2)[nH+]c1 ZINC000568501915 326360154 /nfs/dbraw/zinc/36/01/54/326360154.db2.gz IOESPBMTXQMOME-UHFFFAOYSA-N 2 1 249.358 1.119 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C1CC1)C1CCCC1 ZINC000568526869 326362967 /nfs/dbraw/zinc/36/29/67/326362967.db2.gz FVVNRFLYLZDWRW-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1CCCC1 ZINC000568526869 326362969 /nfs/dbraw/zinc/36/29/69/326362969.db2.gz FVVNRFLYLZDWRW-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C1CC1)C1CCCC1 ZINC000568526869 326362971 /nfs/dbraw/zinc/36/29/71/326362971.db2.gz FVVNRFLYLZDWRW-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C1CC1)C1CCCC1 ZINC000568526869 326362973 /nfs/dbraw/zinc/36/29/73/326362973.db2.gz FVVNRFLYLZDWRW-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP c1[nH]nc2cc(C[NH2+]CCC[NH+]3CCC3)ccc12 ZINC000568533240 326364560 /nfs/dbraw/zinc/36/45/60/326364560.db2.gz PKERNYPDGKVZHV-UHFFFAOYSA-N 2 1 244.342 1.748 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC1(C)C ZINC000568763977 326376087 /nfs/dbraw/zinc/37/60/87/326376087.db2.gz LQFCWRNNBBUYHD-MNOVXSKESA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC1(C)C ZINC000568763977 326376089 /nfs/dbraw/zinc/37/60/89/326376089.db2.gz LQFCWRNNBBUYHD-MNOVXSKESA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CC1(C)C ZINC000568763977 326376091 /nfs/dbraw/zinc/37/60/91/326376091.db2.gz LQFCWRNNBBUYHD-MNOVXSKESA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000568763977 326376092 /nfs/dbraw/zinc/37/60/92/326376092.db2.gz LQFCWRNNBBUYHD-MNOVXSKESA-N 2 1 214.353 1.029 20 0 BDADMP Cc1cnc(C)nc1N(C)CC[N@@H+](C)C1CC1 ZINC000568781922 326377306 /nfs/dbraw/zinc/37/73/06/326377306.db2.gz ANAOKGPRXHZEFW-UHFFFAOYSA-N 2 1 234.347 1.624 20 0 BDADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 ZINC000568868819 326380177 /nfs/dbraw/zinc/38/01/77/326380177.db2.gz PUUMMYRAYGFCPT-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP COC[C@@H](C)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000163374078 326400978 /nfs/dbraw/zinc/40/09/78/326400978.db2.gz LNQDPJAMFSSMKQ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000235509983 487975148 /nfs/dbraw/zinc/97/51/48/487975148.db2.gz RYOOYHLGWXRBMR-WCQYABFASA-N 2 1 226.364 1.533 20 0 BDADMP CC[N@H+]1CCN(c2ccnc(C)n2)C[C@H]1C ZINC000677152982 487984278 /nfs/dbraw/zinc/98/42/78/487984278.db2.gz LIVIWFZLSYXKEC-SNVBAGLBSA-N 2 1 220.320 1.315 20 0 BDADMP Cc1cnc(CC[NH2+]C2CC[NH+](C)CC2)c(C)c1 ZINC000401015371 487998863 /nfs/dbraw/zinc/99/88/63/487998863.db2.gz BADMUAVMVMMWIO-UHFFFAOYSA-N 2 1 247.386 1.925 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000228477318 488009288 /nfs/dbraw/zinc/00/92/88/488009288.db2.gz OPEVDMBEINCADF-JHJVBQTASA-N 2 1 208.349 1.846 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000653692646 488037245 /nfs/dbraw/zinc/03/72/45/488037245.db2.gz ZHCAKPFKMLFEPW-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000653692646 488037251 /nfs/dbraw/zinc/03/72/51/488037251.db2.gz ZHCAKPFKMLFEPW-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000390816893 488043633 /nfs/dbraw/zinc/04/36/33/488043633.db2.gz MYTXWSOALJDKHS-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000390816893 488043636 /nfs/dbraw/zinc/04/36/36/488043636.db2.gz MYTXWSOALJDKHS-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)CS1 ZINC000655756194 488046133 /nfs/dbraw/zinc/04/61/33/488046133.db2.gz BCFNVRLEAFDCHW-WDEREUQCSA-N 2 1 239.388 1.836 20 0 BDADMP C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000084385512 488049867 /nfs/dbraw/zinc/04/98/67/488049867.db2.gz HVSZJRVVXBQCTK-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP Cc1ncc(C[N@@H+]2CCSC[C@H]2C)n1C ZINC000667635407 488065528 /nfs/dbraw/zinc/06/55/28/488065528.db2.gz ADJGUHVWZGBWTN-SECBINFHSA-N 2 1 225.361 1.666 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257651313 488074923 /nfs/dbraw/zinc/07/49/23/488074923.db2.gz DIZMWEKKWPSAKQ-CHWSQXEVSA-N 2 1 224.348 1.098 20 0 BDADMP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccn1 ZINC000257667362 488078110 /nfs/dbraw/zinc/07/81/10/488078110.db2.gz HPABBBCWQSDNPN-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccn1 ZINC000257667362 488078115 /nfs/dbraw/zinc/07/81/15/488078115.db2.gz HPABBBCWQSDNPN-CQSZACIVSA-N 2 1 231.343 1.657 20 0 BDADMP CC(C)C([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000685573660 488080671 /nfs/dbraw/zinc/08/06/71/488080671.db2.gz BEWLVBRWCUCKGV-CYBMUJFWSA-N 2 1 242.407 1.712 20 0 BDADMP CC(C)C([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000685573660 488080678 /nfs/dbraw/zinc/08/06/78/488080678.db2.gz BEWLVBRWCUCKGV-CYBMUJFWSA-N 2 1 242.407 1.712 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257713838 488083883 /nfs/dbraw/zinc/08/38/83/488083883.db2.gz UGLZEEJPOKOZLL-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257713838 488083886 /nfs/dbraw/zinc/08/38/86/488083886.db2.gz UGLZEEJPOKOZLL-HNNXBMFYSA-N 2 1 245.370 1.966 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403256605 488119219 /nfs/dbraw/zinc/11/92/19/488119219.db2.gz WIVICTCFFSCFKT-ZOBORPQBSA-N 2 1 222.376 1.964 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000403613415 488129304 /nfs/dbraw/zinc/12/93/04/488129304.db2.gz JLFAKCPNIDTHQS-YVECIDJPSA-N 2 1 224.348 1.082 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000403613415 488129310 /nfs/dbraw/zinc/12/93/10/488129310.db2.gz JLFAKCPNIDTHQS-YVECIDJPSA-N 2 1 224.348 1.082 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C2([C@H](C)O)CC2)CC1 ZINC000668700346 488133990 /nfs/dbraw/zinc/13/39/90/488133990.db2.gz SYSHIRUZBNKWDK-NSHDSACASA-N 2 1 226.364 1.362 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674301992 487553954 /nfs/dbraw/zinc/55/39/54/487553954.db2.gz IJIWRWVVPXPNIV-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2(C)CC2)CCO1 ZINC000668785833 487531491 /nfs/dbraw/zinc/53/14/91/487531491.db2.gz YYKNCRCUNXFINU-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662236609 487471003 /nfs/dbraw/zinc/47/10/03/487471003.db2.gz FYSLKODCUGLFAO-GHMZBOCLSA-N 2 1 248.317 1.342 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662236609 487471006 /nfs/dbraw/zinc/47/10/06/487471006.db2.gz FYSLKODCUGLFAO-GHMZBOCLSA-N 2 1 248.317 1.342 20 0 BDADMP CCCn1nccc1C[NH2+]CCn1cc[nH+]c1C ZINC000380729225 487483367 /nfs/dbraw/zinc/48/33/67/487483367.db2.gz HXVNMHBORGDTCL-UHFFFAOYSA-N 2 1 247.346 1.588 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000380976009 487492105 /nfs/dbraw/zinc/49/21/05/487492105.db2.gz BLDUSYGWDFCFBR-QWHCGFSZSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000380976009 487492108 /nfs/dbraw/zinc/49/21/08/487492108.db2.gz BLDUSYGWDFCFBR-QWHCGFSZSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@H](C)[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000380976009 487492111 /nfs/dbraw/zinc/49/21/11/487492111.db2.gz BLDUSYGWDFCFBR-QWHCGFSZSA-N 2 1 230.396 1.808 20 0 BDADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)[NH3+])c1ccccc1 ZINC000249107087 487494862 /nfs/dbraw/zinc/49/48/62/487494862.db2.gz PTGKDDNSPMURSY-AAEUAGOBSA-N 2 1 249.358 1.143 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1C ZINC000381084280 487495642 /nfs/dbraw/zinc/49/56/42/487495642.db2.gz SGQJPHXDTOHHRY-UPJWGTAASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000381084280 487495646 /nfs/dbraw/zinc/49/56/46/487495646.db2.gz SGQJPHXDTOHHRY-UPJWGTAASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000381084280 487495651 /nfs/dbraw/zinc/49/56/51/487495651.db2.gz SGQJPHXDTOHHRY-UPJWGTAASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000399987809 487498780 /nfs/dbraw/zinc/49/87/80/487498780.db2.gz CYNUDQSWNUAYJE-KGLIPLIRSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000399987809 487498785 /nfs/dbraw/zinc/49/87/85/487498785.db2.gz CYNUDQSWNUAYJE-KGLIPLIRSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000399987809 487498790 /nfs/dbraw/zinc/49/87/90/487498790.db2.gz CYNUDQSWNUAYJE-KGLIPLIRSA-N 2 1 240.391 1.419 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)CO1 ZINC000657980693 487507950 /nfs/dbraw/zinc/50/79/50/487507950.db2.gz CYKJRAFSSRHHAY-PWSUYJOCSA-N 2 1 223.320 1.120 20 0 BDADMP COCC1([N@@H+](C)CCCn2ccnc2C)CC1 ZINC000677819628 487516085 /nfs/dbraw/zinc/51/60/85/487516085.db2.gz GVDZLNNOPVWGHO-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP COCC1([N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000677819628 487516088 /nfs/dbraw/zinc/51/60/88/487516088.db2.gz GVDZLNNOPVWGHO-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP COCC1([N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000677819628 487516093 /nfs/dbraw/zinc/51/60/93/487516093.db2.gz GVDZLNNOPVWGHO-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000662271741 487518880 /nfs/dbraw/zinc/51/88/80/487518880.db2.gz ISJAJKYTCUGDNY-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP C[N@H+](CCO[C@H]1CC1(F)F)[C@H](C[NH3+])C1CC1 ZINC000662273313 487520825 /nfs/dbraw/zinc/52/08/25/487520825.db2.gz NVKJPBBXFIMPPX-ZJUUUORDSA-N 2 1 234.290 1.080 20 0 BDADMP C[N@@H+](CCO[C@H]1CC1(F)F)[C@H](C[NH3+])C1CC1 ZINC000662273313 487520831 /nfs/dbraw/zinc/52/08/31/487520831.db2.gz NVKJPBBXFIMPPX-ZJUUUORDSA-N 2 1 234.290 1.080 20 0 BDADMP CO[C@@H](C[N@@H+](C)C1CC([NH3+])C1)C1CCCC1 ZINC000662274097 487522834 /nfs/dbraw/zinc/52/28/34/487522834.db2.gz RDXXGCKBTJPPFD-BPCQOVAHSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655679579 488168023 /nfs/dbraw/zinc/16/80/23/488168023.db2.gz CCYPCHDNVHPONI-CYBMUJFWSA-N 2 1 226.364 1.485 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000336509173 487709257 /nfs/dbraw/zinc/70/92/57/487709257.db2.gz ADWHGXMBGUOSIS-OAHLLOKOSA-N 2 1 246.354 1.968 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000336509173 487709259 /nfs/dbraw/zinc/70/92/59/487709259.db2.gz ADWHGXMBGUOSIS-OAHLLOKOSA-N 2 1 246.354 1.968 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000652352700 487930196 /nfs/dbraw/zinc/93/01/96/487930196.db2.gz OMKFGLOOCFUIRU-IHRRRGAJSA-N 3 1 237.391 1.047 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000310482318 488032844 /nfs/dbraw/zinc/03/28/44/488032844.db2.gz DESQBSZSOUMMEX-MGPQQGTHSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000310482318 488032850 /nfs/dbraw/zinc/03/28/50/488032850.db2.gz DESQBSZSOUMMEX-MGPQQGTHSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000310482318 488032855 /nfs/dbraw/zinc/03/28/55/488032855.db2.gz DESQBSZSOUMMEX-MGPQQGTHSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000310482318 488032858 /nfs/dbraw/zinc/03/28/58/488032858.db2.gz DESQBSZSOUMMEX-MGPQQGTHSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCCOC2)CC1 ZINC000683228092 488134981 /nfs/dbraw/zinc/13/49/81/488134981.db2.gz SMXQBZSNOLNVNJ-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226968816 488136418 /nfs/dbraw/zinc/13/64/18/488136418.db2.gz HGCAKZNSQLMQQA-JQWIXIFHSA-N 2 1 236.363 1.152 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226968816 488136424 /nfs/dbraw/zinc/13/64/24/488136424.db2.gz HGCAKZNSQLMQQA-JQWIXIFHSA-N 2 1 236.363 1.152 20 0 BDADMP Cc1nnsc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000390237886 488141818 /nfs/dbraw/zinc/14/18/18/488141818.db2.gz GOLUBGJDGGKWJM-JTQLQIEISA-N 2 1 240.376 1.407 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCC(C)C ZINC000379850856 488154465 /nfs/dbraw/zinc/15/44/65/488154465.db2.gz AOYRKZZJDXSMRF-LBPRGKRZSA-N 2 1 216.369 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCC(C)C ZINC000379850856 488154470 /nfs/dbraw/zinc/15/44/70/488154470.db2.gz AOYRKZZJDXSMRF-LBPRGKRZSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCC(C)C ZINC000379850856 488154472 /nfs/dbraw/zinc/15/44/72/488154472.db2.gz AOYRKZZJDXSMRF-LBPRGKRZSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCC(C)C ZINC000379850856 488154474 /nfs/dbraw/zinc/15/44/74/488154474.db2.gz AOYRKZZJDXSMRF-LBPRGKRZSA-N 2 1 216.369 1.277 20 0 BDADMP Cn1nccc1CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000230774822 488157036 /nfs/dbraw/zinc/15/70/36/488157036.db2.gz RNVZSZKFYUSAIY-LBPRGKRZSA-N 2 1 236.363 1.023 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000321909996 488160971 /nfs/dbraw/zinc/16/09/71/488160971.db2.gz PIEUEAFCFHKPSG-NDBYEHHHSA-N 2 1 210.365 1.962 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000390672046 488172961 /nfs/dbraw/zinc/17/29/61/488172961.db2.gz VSSQQKZMEPAZKE-ZDUSSCGKSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000390672046 488172964 /nfs/dbraw/zinc/17/29/64/488172964.db2.gz VSSQQKZMEPAZKE-ZDUSSCGKSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000390672046 488172967 /nfs/dbraw/zinc/17/29/67/488172967.db2.gz VSSQQKZMEPAZKE-ZDUSSCGKSA-N 2 1 230.396 1.665 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC[C@H]1C ZINC000380145002 488175465 /nfs/dbraw/zinc/17/54/65/488175465.db2.gz HDYLLEYHSVZEBB-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CCn1cncc1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000669539914 488189940 /nfs/dbraw/zinc/18/99/40/488189940.db2.gz FGUAKOHZFKVPBL-CYBMUJFWSA-N 2 1 248.374 1.477 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)CC(C)(C)C ZINC000678075771 488192268 /nfs/dbraw/zinc/19/22/68/488192268.db2.gz HLWOPTUNIIWOFG-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)CC(C)(C)C ZINC000678075771 488192272 /nfs/dbraw/zinc/19/22/72/488192272.db2.gz HLWOPTUNIIWOFG-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)CC(C)(C)C ZINC000678075771 488192275 /nfs/dbraw/zinc/19/22/75/488192275.db2.gz HLWOPTUNIIWOFG-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cn[nH]c1 ZINC000678078559 488192584 /nfs/dbraw/zinc/19/25/84/488192584.db2.gz QZTNGGFWUNRMGN-UHFFFAOYSA-N 2 1 247.346 1.827 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cn[nH]c1 ZINC000678078559 488192588 /nfs/dbraw/zinc/19/25/88/488192588.db2.gz QZTNGGFWUNRMGN-UHFFFAOYSA-N 2 1 247.346 1.827 20 0 BDADMP CC[N@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000678081882 488193454 /nfs/dbraw/zinc/19/34/54/488193454.db2.gz GDVPCYAIGKKEQS-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000678081882 488193457 /nfs/dbraw/zinc/19/34/57/488193457.db2.gz GDVPCYAIGKKEQS-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000678081882 488193461 /nfs/dbraw/zinc/19/34/61/488193461.db2.gz GDVPCYAIGKKEQS-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668740864 488193671 /nfs/dbraw/zinc/19/36/71/488193671.db2.gz XWLZABWWCNOEGI-BZPMIXESSA-N 2 1 238.375 1.173 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)Cc2cn[nH]c2)[C@@H](C)C1 ZINC000678277342 488235701 /nfs/dbraw/zinc/23/57/01/488235701.db2.gz ISXGJULTYVGMTC-AAEUAGOBSA-N 2 1 236.363 1.572 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000049709341 488315889 /nfs/dbraw/zinc/31/58/89/488315889.db2.gz TVJQODNBKXKMBG-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP Cc1cnn(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000335011260 490102870 /nfs/dbraw/zinc/10/28/70/490102870.db2.gz WNDLAVSWGZGYPZ-AWEZNQCLSA-N 2 1 248.374 1.267 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000220772229 490143933 /nfs/dbraw/zinc/14/39/33/490143933.db2.gz QNWZKBIBXOODHO-YFKTTZPYSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000220772229 490143935 /nfs/dbraw/zinc/14/39/35/490143935.db2.gz QNWZKBIBXOODHO-YFKTTZPYSA-N 2 1 228.405 1.953 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2nc(C)ccc2O)CC[C@H]1[NH3+] ZINC000251666052 490258521 /nfs/dbraw/zinc/25/85/21/490258521.db2.gz HGQFXWREEWDAME-NWDGAFQWSA-N 2 1 249.358 1.655 20 0 BDADMP Cc1ncccc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000655938257 490264445 /nfs/dbraw/zinc/26/44/45/490264445.db2.gz QEMPYCODDBGXNQ-CYBMUJFWSA-N 2 1 219.332 1.607 20 0 BDADMP Cc1cc(C)cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313362371 490304060 /nfs/dbraw/zinc/30/40/60/490304060.db2.gz VGQNKWMUJLVUGW-OAHLLOKOSA-N 2 1 248.370 1.853 20 0 BDADMP Cc1ccccc1[C@@H](C)N(C)C[C@@H]1C[NH2+]CCO1 ZINC000125443233 490500095 /nfs/dbraw/zinc/50/00/95/490500095.db2.gz CLOHFFTZDLLYIP-KGLIPLIRSA-N 2 1 248.370 1.976 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000226537179 490522658 /nfs/dbraw/zinc/52/26/58/490522658.db2.gz JEGXPSBYVOLSBK-SRVKXCTJSA-N 2 1 219.332 1.812 20 0 BDADMP COc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000128838595 490592532 /nfs/dbraw/zinc/59/25/32/490592532.db2.gz DHALZABSFROCJA-CYBMUJFWSA-N 2 1 234.343 1.927 20 0 BDADMP CCSCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598681770 491084330 /nfs/dbraw/zinc/08/43/30/491084330.db2.gz JKUNRRRFXDDYGQ-WDEREUQCSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598681770 491084331 /nfs/dbraw/zinc/08/43/31/491084331.db2.gz JKUNRRRFXDDYGQ-WDEREUQCSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598681768 491084302 /nfs/dbraw/zinc/08/43/02/491084302.db2.gz JKUNRRRFXDDYGQ-QWRGUYRKSA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598681768 491084304 /nfs/dbraw/zinc/08/43/04/491084304.db2.gz JKUNRRRFXDDYGQ-QWRGUYRKSA-N 2 1 214.378 1.553 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000324046155 491084747 /nfs/dbraw/zinc/08/47/47/491084747.db2.gz XJRCBYXVQQEFNV-KGLIPLIRSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000324046155 491084748 /nfs/dbraw/zinc/08/47/48/491084748.db2.gz XJRCBYXVQQEFNV-KGLIPLIRSA-N 2 1 240.391 1.466 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCCCO ZINC000309623717 491152974 /nfs/dbraw/zinc/15/29/74/491152974.db2.gz FUTBLYJIICXSCJ-QWHCGFSZSA-N 2 1 230.396 1.857 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001172768639 974936528 /nfs/dbraw/zinc/93/65/28/974936528.db2.gz VRLRSDLNGORVKN-UTUOFQBUSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001172768639 974936533 /nfs/dbraw/zinc/93/65/33/974936533.db2.gz VRLRSDLNGORVKN-UTUOFQBUSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@H](NCC[N@@H+](C)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400754894 533855546 /nfs/dbraw/zinc/85/55/46/533855546.db2.gz WRNTZSLFVBYTOQ-JSGCOSHPSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000400496205 533880436 /nfs/dbraw/zinc/88/04/36/533880436.db2.gz DQQZMEZNALCFDC-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000400467784 533900818 /nfs/dbraw/zinc/90/08/18/533900818.db2.gz UFHNMYGTEYLQBE-QJPTWQEYSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)CC[N@H+]1C ZINC000400587362 533947007 /nfs/dbraw/zinc/94/70/07/533947007.db2.gz NWUJHAHOJSJWDS-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCOC(=O)C1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000351932443 535582038 /nfs/dbraw/zinc/58/20/38/535582038.db2.gz RYNOXYCGRDRKIQ-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP CCn1nccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000164147795 535870984 /nfs/dbraw/zinc/87/09/84/535870984.db2.gz CEJJQPSULBUAFI-MNOVXSKESA-N 2 1 222.336 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000164147795 535870991 /nfs/dbraw/zinc/87/09/91/535870991.db2.gz CEJJQPSULBUAFI-MNOVXSKESA-N 2 1 222.336 1.072 20 0 BDADMP C[C@H]1CC([NH2+]C[C@H](O)C[NH+](C)C)C[C@H](C)C1 ZINC000082835108 518183987 /nfs/dbraw/zinc/18/39/87/518183987.db2.gz ZMHOVDABDZXLLB-WZRBSPASSA-N 2 1 228.380 1.323 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400718400 527814594 /nfs/dbraw/zinc/81/45/94/527814594.db2.gz NSQCTRMRPMOITA-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000400768824 528154218 /nfs/dbraw/zinc/15/42/18/528154218.db2.gz ZRPYUKRVAWMCPF-TUAOUCFPSA-N 2 1 214.353 1.532 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400406323 528980328 /nfs/dbraw/zinc/98/03/28/528980328.db2.gz RNGRDWWFSVYHGL-HBNTYKKESA-N 2 1 200.326 1.142 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC000461887983 528988388 /nfs/dbraw/zinc/98/83/88/528988388.db2.gz FVPGMJWJEUHFPI-JOCQHMNTSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000252686668 535063700 /nfs/dbraw/zinc/06/37/00/535063700.db2.gz KCHNGLLKAJYCLZ-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP CC1(C)C[C@H]([NH2+]CC[NH3+])c2ccccc21 ZINC000335565149 535367496 /nfs/dbraw/zinc/36/74/96/535367496.db2.gz PZOKRZAZZMTZLJ-LBPRGKRZSA-N 2 1 204.317 1.957 20 0 BDADMP CCC[C@]1(CO)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261811347 535767720 /nfs/dbraw/zinc/76/77/20/535767720.db2.gz HRIHHOKRPPIRET-ZIAGYGMSSA-N 2 1 240.391 1.613 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000351612169 535804612 /nfs/dbraw/zinc/80/46/12/535804612.db2.gz UZMWSLPIDKDEQV-CHWSQXEVSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000351612169 535804613 /nfs/dbraw/zinc/80/46/13/535804613.db2.gz UZMWSLPIDKDEQV-CHWSQXEVSA-N 2 1 242.407 1.856 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250343899 535832372 /nfs/dbraw/zinc/83/23/72/535832372.db2.gz DZQUXGUXGJWKFP-KBPBESRZSA-N 3 1 239.407 1.545 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000262061731 535899998 /nfs/dbraw/zinc/89/99/98/535899998.db2.gz RESPPVNJCSEIKK-FDYHWXHSSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130236804 536122344 /nfs/dbraw/zinc/12/23/44/536122344.db2.gz VOHKMNDNLRWFMR-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP CCc1nc(N2CC[C@H]([NH3+])[C@H]2C)cc(C)[nH+]1 ZINC000261582010 536125450 /nfs/dbraw/zinc/12/54/50/536125450.db2.gz NXWZYQBSINJOOM-ZJUUUORDSA-N 2 1 220.320 1.273 20 0 BDADMP CCc1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C)[nH+]1 ZINC000261586617 536126573 /nfs/dbraw/zinc/12/65/73/536126573.db2.gz UNTOSTHXXNSADI-SDDRHHMPSA-N 2 1 246.358 1.521 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000224513615 536808558 /nfs/dbraw/zinc/80/85/58/536808558.db2.gz WULKRYKKTVITQV-QNWHQSFQSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000224513615 536808562 /nfs/dbraw/zinc/80/85/62/536808562.db2.gz WULKRYKKTVITQV-QNWHQSFQSA-N 2 1 240.391 1.872 20 0 BDADMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000261533601 536897091 /nfs/dbraw/zinc/89/70/91/536897091.db2.gz LCFYKKOKHGZLGK-UWVGGRQHSA-N 2 1 208.305 1.521 20 0 BDADMP COc1cccc(N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000019844132 537122721 /nfs/dbraw/zinc/12/27/21/537122721.db2.gz WTPQGUKDYHOMOA-UHFFFAOYSA-N 2 1 249.358 1.166 20 0 BDADMP C[N@@H+](CCC1SCCS1)C1CC([NH3+])C1 ZINC000853023279 588716612 /nfs/dbraw/zinc/71/66/12/588716612.db2.gz RIMGLFQJQPTFDJ-UHFFFAOYSA-N 2 1 232.418 1.604 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1CON=C(N)CCO ZINC000853687136 588756444 /nfs/dbraw/zinc/75/64/44/588756444.db2.gz LFGOFVMNDOWJDD-LLVKDONJSA-N 2 1 243.351 1.130 20 0 BDADMP C[C@H](CCNc1nc(N(C)C)cc[nH+]1)[NH+](C)C ZINC000853798763 588763949 /nfs/dbraw/zinc/76/39/49/588763949.db2.gz KOPDSOKYYQQBDS-SNVBAGLBSA-N 2 1 237.351 1.295 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1SCCS1 ZINC000854231829 588781260 /nfs/dbraw/zinc/78/12/60/588781260.db2.gz NJUMVNKSJUDPGG-UWVGGRQHSA-N 2 1 246.445 1.770 20 0 BDADMP c1ncc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000112341329 588794722 /nfs/dbraw/zinc/79/47/22/588794722.db2.gz BJZRZLCECQCESE-QWHCGFSZSA-N 2 1 232.331 1.193 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892048169 582773436 /nfs/dbraw/zinc/77/34/36/582773436.db2.gz IAZZORHYRIOUPK-NEPJUHHUSA-N 2 1 226.364 1.437 20 0 BDADMP CN1CC[N@@H+](CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000892054198 582776991 /nfs/dbraw/zinc/77/69/91/582776991.db2.gz ABKDRDOHTQTPEG-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1cc(N)nc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000892081027 582787425 /nfs/dbraw/zinc/78/74/25/582787425.db2.gz UMJUSCFTALAORX-LLVKDONJSA-N 2 1 249.362 1.509 20 0 BDADMP CC/C=C\CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849035258 582836566 /nfs/dbraw/zinc/83/65/66/582836566.db2.gz BOHZEJXIUCABCB-FJOGCWAESA-N 2 1 238.379 1.551 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892607165 582928577 /nfs/dbraw/zinc/92/85/77/582928577.db2.gz HVLLPXYJUDBOGG-UHTWSYAYSA-N 2 1 240.347 1.154 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892668840 582946864 /nfs/dbraw/zinc/94/68/64/582946864.db2.gz RIDFHIRHNXMKNE-AAEUAGOBSA-N 2 1 242.363 1.260 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892668843 582946883 /nfs/dbraw/zinc/94/68/83/582946883.db2.gz RIDFHIRHNXMKNE-YPMHNXCESA-N 2 1 242.363 1.260 20 0 BDADMP CC[N@H+]1CCN(c2cc(N(C)C)ncn2)C[C@H]1C ZINC000892970761 583024181 /nfs/dbraw/zinc/02/41/81/583024181.db2.gz KNIVEOYWPYCLMK-LLVKDONJSA-N 2 1 249.362 1.073 20 0 BDADMP CCN1CCN(c2cc(N(C)C)ncn2)C[C@H]1C ZINC000892970761 583024183 /nfs/dbraw/zinc/02/41/83/583024183.db2.gz KNIVEOYWPYCLMK-LLVKDONJSA-N 2 1 249.362 1.073 20 0 BDADMP CO[C@@H]1CC[N@@H+](Cc2c(C)ccnc2N)C1 ZINC000894035086 583277958 /nfs/dbraw/zinc/27/79/58/583277958.db2.gz YEOFCZPQXBAYKS-SNVBAGLBSA-N 2 1 221.304 1.193 20 0 BDADMP CCn1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)n1 ZINC000894084432 583295681 /nfs/dbraw/zinc/29/56/81/583295681.db2.gz SWABWWWVLWRCTP-OKILXGFUSA-N 2 1 248.374 1.205 20 0 BDADMP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000894253716 583393459 /nfs/dbraw/zinc/39/34/59/583393459.db2.gz GXWBVENTVDDQHU-LBPRGKRZSA-N 2 1 248.374 1.404 20 0 BDADMP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000894253716 583393460 /nfs/dbraw/zinc/39/34/60/583393460.db2.gz GXWBVENTVDDQHU-LBPRGKRZSA-N 2 1 248.374 1.404 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CC2)CC[N@H+]1C ZINC000336741611 583439645 /nfs/dbraw/zinc/43/96/45/583439645.db2.gz NHHLJFKHTXMYPP-KGYLQXTDSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894377750 583442044 /nfs/dbraw/zinc/44/20/44/583442044.db2.gz FWZZOIKECRLHAT-KGLIPLIRSA-N 2 1 239.407 1.260 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1CO ZINC000894476992 583469850 /nfs/dbraw/zinc/46/98/50/583469850.db2.gz VUMZSMBNYQXAOJ-GFCCVEGCSA-N 2 1 249.358 1.281 20 0 BDADMP CC[N@@H+](C[C@@H](C)OC)CC1CC[NH+](C)CC1 ZINC000894577409 583487747 /nfs/dbraw/zinc/48/77/47/583487747.db2.gz VWMAQEHCTCTDPA-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H]2CC(C)=NO2)CC1 ZINC000895305718 583643864 /nfs/dbraw/zinc/64/38/64/583643864.db2.gz ZLFXAKGGTGPHJO-LBPRGKRZSA-N 2 1 225.336 1.225 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000895386803 583663234 /nfs/dbraw/zinc/66/32/34/583663234.db2.gz YCCILGUTEXEEBY-ZIAGYGMSSA-N 2 1 238.375 1.297 20 0 BDADMP CC1=NO[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000895429576 583669215 /nfs/dbraw/zinc/66/92/15/583669215.db2.gz QGKDXPHCDZSXCH-PSEXLTFBSA-N 2 1 237.347 1.366 20 0 BDADMP CC1=NO[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000895429576 583669217 /nfs/dbraw/zinc/66/92/17/583669217.db2.gz QGKDXPHCDZSXCH-PSEXLTFBSA-N 2 1 237.347 1.366 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000895435097 583673299 /nfs/dbraw/zinc/67/32/99/583673299.db2.gz XPZXTTKRPUAXHY-CHWSQXEVSA-N 2 1 208.349 1.670 20 0 BDADMP Cc1nc(C)c(C)c(N[C@H]2CC[N@@H+](C)[C@H]2C)n1 ZINC000895741037 583714518 /nfs/dbraw/zinc/71/45/18/583714518.db2.gz XEBSLTQNQUJWLL-JQWIXIFHSA-N 2 1 234.347 1.906 20 0 BDADMP CC[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1C ZINC000895800560 583730943 /nfs/dbraw/zinc/73/09/43/583730943.db2.gz AMUWZALXXUJDOU-ZDUSSCGKSA-N 2 1 249.358 1.335 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCc3ncncc3C2)CC1 ZINC000896038214 583766116 /nfs/dbraw/zinc/76/61/16/583766116.db2.gz LKILAFBMMSXDFX-UHFFFAOYSA-N 2 1 246.358 1.177 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CS[C@H](C)C1)C[NH+](C)C ZINC000896880156 583844818 /nfs/dbraw/zinc/84/48/18/583844818.db2.gz PCQYJHUNWDFSBF-IJLUTSLNSA-N 2 1 246.420 1.437 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)C[NH+](C)C ZINC000896880155 583844879 /nfs/dbraw/zinc/84/48/79/583844879.db2.gz PCQYJHUNWDFSBF-GRYCIOLGSA-N 2 1 246.420 1.437 20 0 BDADMP CCO[C@@H](C[NH2+]CCC[C@@H]1CCO1)C[NH+](C)C ZINC000896880005 583844901 /nfs/dbraw/zinc/84/49/01/583844901.db2.gz KZRDKKYIPUZCOT-OLZOCXBDSA-N 2 1 244.379 1.112 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC1 ZINC000897955327 584065464 /nfs/dbraw/zinc/06/54/64/584065464.db2.gz SIEDTRTYKMDJTE-WCFLWFBJSA-N 2 1 208.349 1.859 20 0 BDADMP C[NH+]1CCC(NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898035732 584078820 /nfs/dbraw/zinc/07/88/20/584078820.db2.gz YRBZMNAEWLDJSC-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2ccc(CCO)cc2)CC1 ZINC000898171255 584088786 /nfs/dbraw/zinc/08/87/86/584088786.db2.gz UNDFCUGZQLEJOH-UHFFFAOYSA-N 2 1 248.370 1.405 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H]2CCC[C@H]21 ZINC000873254923 584128318 /nfs/dbraw/zinc/12/83/18/584128318.db2.gz BJMZCZRMJCKUKG-XGFWRYKXSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@H]2CCC[C@H]21 ZINC000873254923 584128320 /nfs/dbraw/zinc/12/83/20/584128320.db2.gz BJMZCZRMJCKUKG-XGFWRYKXSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000873281532 584128599 /nfs/dbraw/zinc/12/85/99/584128599.db2.gz KTUHKJSWYGCKMJ-ZUWCUPBKSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000873281525 584128770 /nfs/dbraw/zinc/12/87/70/584128770.db2.gz KTUHKJSWYGCKMJ-HTVCTNPSSA-N 2 1 238.375 1.674 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899266404 584189490 /nfs/dbraw/zinc/18/94/90/584189490.db2.gz BAUMSGGZTAMCNG-LLVKDONJSA-N 2 1 240.395 1.631 20 0 BDADMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899265218 584189537 /nfs/dbraw/zinc/18/95/37/584189537.db2.gz URYJZXZBGHMPDS-VIFPVBQESA-N 2 1 235.335 1.104 20 0 BDADMP C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000899266864 584190405 /nfs/dbraw/zinc/19/04/05/584190405.db2.gz IGBMNBSCYHTBRE-QWRGUYRKSA-N 2 1 238.379 1.241 20 0 BDADMP CC(C)C[C@](C)(C[NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000900017764 584266625 /nfs/dbraw/zinc/26/66/25/584266625.db2.gz SQNKULWTRNNHMG-LLVKDONJSA-N 2 1 238.335 1.280 20 0 BDADMP O=C(NCc1c[nH]cn1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900780817 584350530 /nfs/dbraw/zinc/35/05/30/584350530.db2.gz NVWPGJSHAQOXED-VXGBXAGGSA-N 2 1 248.330 1.043 20 0 BDADMP O=C(NCc1cnc[nH]1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900780817 584350531 /nfs/dbraw/zinc/35/05/31/584350531.db2.gz NVWPGJSHAQOXED-VXGBXAGGSA-N 2 1 248.330 1.043 20 0 BDADMP O=C(NCc1cnc[nH]1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900780817 584350532 /nfs/dbraw/zinc/35/05/32/584350532.db2.gz NVWPGJSHAQOXED-VXGBXAGGSA-N 2 1 248.330 1.043 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392464 584582752 /nfs/dbraw/zinc/58/27/52/584582752.db2.gz HPKGIXFQFRDGQK-ZDUSSCGKSA-N 3 1 241.423 1.742 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000902404126 584588750 /nfs/dbraw/zinc/58/87/50/584588750.db2.gz CGUHNQGMDINHOW-GFCCVEGCSA-N 2 1 232.327 1.851 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000902416150 584590191 /nfs/dbraw/zinc/59/01/91/584590191.db2.gz SVTHMPDKUUAJFB-SNVBAGLBSA-N 2 1 248.326 1.600 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000902446175 584593666 /nfs/dbraw/zinc/59/36/66/584593666.db2.gz SGDYNZYBLKPIFD-MNOVXSKESA-N 2 1 208.349 1.907 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902476265 584602592 /nfs/dbraw/zinc/60/25/92/584602592.db2.gz OJDNFQDPVKPDCE-MROQNXINSA-N 2 1 226.364 1.530 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)C ZINC000902476822 584602663 /nfs/dbraw/zinc/60/26/63/584602663.db2.gz PRQJXPCADCBDTG-WRWGMCAJSA-N 2 1 212.337 1.140 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000902453635 584607930 /nfs/dbraw/zinc/60/79/30/584607930.db2.gz CVPCRXLVYIQLNI-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CC1(C)CCN(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000902453635 584607931 /nfs/dbraw/zinc/60/79/31/584607931.db2.gz CVPCRXLVYIQLNI-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@H+]1CCC(C)(C)C1 ZINC000902455122 584609489 /nfs/dbraw/zinc/60/94/89/584609489.db2.gz JDVWRVXEMIYSNY-NEPJUHHUSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC(C)(C)C1 ZINC000902455122 584609491 /nfs/dbraw/zinc/60/94/91/584609491.db2.gz JDVWRVXEMIYSNY-NEPJUHHUSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CCC(C)(C)C1 ZINC000902456388 584610365 /nfs/dbraw/zinc/61/03/65/584610365.db2.gz OMMUHHKQWYTZDT-STQMWFEESA-N 2 1 239.407 1.306 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902470814 584616796 /nfs/dbraw/zinc/61/67/96/584616796.db2.gz HEYJNYPHODZYKI-CKIKVBCHSA-N 2 1 238.375 1.673 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC[NH2+]2)[C@H](C)O1 ZINC000902481737 584623863 /nfs/dbraw/zinc/62/38/63/584623863.db2.gz GHGJJMRYDAPYOT-XQHKEYJVSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482989 584623927 /nfs/dbraw/zinc/62/39/27/584623927.db2.gz OIXGLFLVBRRJOE-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCCN1 ZINC000902484970 584624982 /nfs/dbraw/zinc/62/49/82/584624982.db2.gz XPWXGMULNIQTIL-STQMWFEESA-N 2 1 227.396 1.626 20 0 BDADMP C[C@@H](CCCC[NH3+])NC[C@@H]1CCCCC[NH2+]1 ZINC000902484970 584624983 /nfs/dbraw/zinc/62/49/83/584624983.db2.gz XPWXGMULNIQTIL-STQMWFEESA-N 2 1 227.396 1.626 20 0 BDADMP CO[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903158089 584731124 /nfs/dbraw/zinc/73/11/24/584731124.db2.gz QNKYWYSWFIDREN-WDFAYWTNSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201824 584735201 /nfs/dbraw/zinc/73/52/01/584735201.db2.gz OLACNCNALWQVDC-SMDDNHRTSA-N 2 1 248.374 1.187 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201824 584735203 /nfs/dbraw/zinc/73/52/03/584735203.db2.gz OLACNCNALWQVDC-SMDDNHRTSA-N 2 1 248.374 1.187 20 0 BDADMP COC[C@@H](C[NH2+][C@](C)(C[NH3+])C1CC1)C(C)C ZINC000903427273 584761493 /nfs/dbraw/zinc/76/14/93/584761493.db2.gz VULMVJPVBFVYIK-DGCLKSJQSA-N 2 1 228.380 1.622 20 0 BDADMP C[C@@H](N)[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421707 584763909 /nfs/dbraw/zinc/76/39/09/584763909.db2.gz RXNWGNSCCPXBBY-FVCCEPFGSA-N 2 1 225.380 1.316 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903421707 584763910 /nfs/dbraw/zinc/76/39/10/584763910.db2.gz RXNWGNSCCPXBBY-FVCCEPFGSA-N 2 1 225.380 1.316 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CN ZINC000903424825 584765099 /nfs/dbraw/zinc/76/50/99/584765099.db2.gz HYVDZQLRGNEJAK-QNWHQSFQSA-N 2 1 225.380 1.173 20 0 BDADMP C[C@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000903424825 584765100 /nfs/dbraw/zinc/76/51/00/584765100.db2.gz HYVDZQLRGNEJAK-QNWHQSFQSA-N 2 1 225.380 1.173 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000903458836 584765853 /nfs/dbraw/zinc/76/58/53/584765853.db2.gz LIJZXANOKKIXBT-NDBYEHHHSA-N 3 1 225.380 1.031 20 0 BDADMP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903458826 584766069 /nfs/dbraw/zinc/76/60/69/584766069.db2.gz LEJYCXLVYNPVLW-PWSUYJOCSA-N 2 1 228.336 1.060 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000903459849 584766543 /nfs/dbraw/zinc/76/65/43/584766543.db2.gz OVAVIKYQNSKGON-DGTMBMJNSA-N 3 1 239.407 1.147 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000903459849 584766545 /nfs/dbraw/zinc/76/65/45/584766545.db2.gz OVAVIKYQNSKGON-DGTMBMJNSA-N 3 1 239.407 1.147 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000903442700 584767829 /nfs/dbraw/zinc/76/78/29/584767829.db2.gz ZAOJTTXALRSXCZ-UPJWGTAASA-N 2 1 248.374 1.445 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000903451483 584771705 /nfs/dbraw/zinc/77/17/05/584771705.db2.gz AJHRSHITFOTVRX-MJBXVCDLSA-N 3 1 237.391 1.189 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453094 584772652 /nfs/dbraw/zinc/77/26/52/584772652.db2.gz ZBMBXEISQQMUOC-WRWGMCAJSA-N 2 1 244.329 1.948 20 0 BDADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903453992 584772964 /nfs/dbraw/zinc/77/29/64/584772964.db2.gz QTWQZRVGGXUFHW-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP COC[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)C(C)C ZINC000903455115 584773379 /nfs/dbraw/zinc/77/33/79/584773379.db2.gz QEZRGBVPZPBAMN-NWDGAFQWSA-N 2 1 230.396 1.868 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3CSC[C@H]3C2)C1 ZINC000903475764 584776538 /nfs/dbraw/zinc/77/65/38/584776538.db2.gz CIGKQYODIXJFSE-WUHRBBMRSA-N 2 1 240.416 1.799 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475817 584777034 /nfs/dbraw/zinc/77/70/34/584777034.db2.gz FADXWBLHPNWVPQ-MQYQWHSLSA-N 2 1 237.391 1.140 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475817 584777035 /nfs/dbraw/zinc/77/70/35/584777035.db2.gz FADXWBLHPNWVPQ-MQYQWHSLSA-N 3 1 237.391 1.140 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475817 584777036 /nfs/dbraw/zinc/77/70/36/584777036.db2.gz FADXWBLHPNWVPQ-MQYQWHSLSA-N 3 1 237.391 1.140 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475817 584777037 /nfs/dbraw/zinc/77/70/37/584777037.db2.gz FADXWBLHPNWVPQ-MQYQWHSLSA-N 3 1 237.391 1.140 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475817 584777038 /nfs/dbraw/zinc/77/70/38/584777038.db2.gz FADXWBLHPNWVPQ-MQYQWHSLSA-N 3 1 237.391 1.140 20 0 BDADMP N[C@H]1CCCCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903476660 584777591 /nfs/dbraw/zinc/77/75/91/584777591.db2.gz FETNTOWKGGYJKT-XQQFMLRXSA-N 2 1 225.380 1.317 20 0 BDADMP [NH3+][C@@H]1CC[C@H](CN2CCCCC[C@H]([NH3+])C2)C1 ZINC000903476660 584777593 /nfs/dbraw/zinc/77/75/93/584777593.db2.gz FETNTOWKGGYJKT-XQQFMLRXSA-N 2 1 225.380 1.317 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCCO1 ZINC000903482232 584778539 /nfs/dbraw/zinc/77/85/39/584778539.db2.gz ZOVDBRFZYFQYHN-QWHCGFSZSA-N 2 1 238.375 1.820 20 0 BDADMP [NH3+][C@@H]1CC[C@H](CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482056 584778755 /nfs/dbraw/zinc/77/87/55/584778755.db2.gz VQISCINCQPUQKM-YNEHKIRRSA-N 2 1 237.391 1.378 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCC1 ZINC000903498566 584780277 /nfs/dbraw/zinc/78/02/77/584780277.db2.gz KRXSYKBMOLRLJL-MRVWCRGKSA-N 2 1 240.391 1.718 20 0 BDADMP c1ccc([C@]23C[C@H]2C[N@H+](C[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000903491220 584780946 /nfs/dbraw/zinc/78/09/46/584780946.db2.gz ZNSVZSAMKHZJDM-VNQPRFMTSA-N 2 1 242.366 1.869 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@@H]1[NH3+] ZINC000903560052 584782549 /nfs/dbraw/zinc/78/25/49/584782549.db2.gz RPIVAAUSYNNDOC-GMXVVIOVSA-N 2 1 224.348 1.082 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@@H]1[NH3+] ZINC000903560052 584782550 /nfs/dbraw/zinc/78/25/50/584782550.db2.gz RPIVAAUSYNNDOC-GMXVVIOVSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@@H]1CSCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903708351 584791268 /nfs/dbraw/zinc/79/12/68/584791268.db2.gz RTIZUBIGRMFMBQ-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP CCCC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718115 584792254 /nfs/dbraw/zinc/79/22/54/584792254.db2.gz ZYISPAVFQAOBOA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP OCCC[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903730458 584792883 /nfs/dbraw/zinc/79/28/83/584792883.db2.gz WMMUVALEQFKUNZ-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727155 584792962 /nfs/dbraw/zinc/79/29/62/584792962.db2.gz RFSTZJPPBFGKEH-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000903728881 584792964 /nfs/dbraw/zinc/79/29/64/584792964.db2.gz GRVWHFGIPWIJFP-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732307 584793185 /nfs/dbraw/zinc/79/31/85/584793185.db2.gz FGMQOYPNYKOWLZ-RQJABVFESA-N 2 1 238.375 1.485 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903730072 584793234 /nfs/dbraw/zinc/79/32/34/584793234.db2.gz TXZPATWJVCBICZ-STQMWFEESA-N 2 1 224.348 1.239 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713669 584793402 /nfs/dbraw/zinc/79/34/02/584793402.db2.gz YZTMRKSMFKYFFG-UONOGXRCSA-N 3 1 239.407 1.308 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713669 584793403 /nfs/dbraw/zinc/79/34/03/584793403.db2.gz YZTMRKSMFKYFFG-UONOGXRCSA-N 3 1 239.407 1.308 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713668 584793852 /nfs/dbraw/zinc/79/38/52/584793852.db2.gz YZTMRKSMFKYFFG-KGLIPLIRSA-N 3 1 239.407 1.308 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713668 584793853 /nfs/dbraw/zinc/79/38/53/584793853.db2.gz YZTMRKSMFKYFFG-KGLIPLIRSA-N 3 1 239.407 1.308 20 0 BDADMP CC1CC(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000903751067 584795788 /nfs/dbraw/zinc/79/57/88/584795788.db2.gz DJEKCHSBCHYQJQ-RUXDESIVSA-N 2 1 237.391 1.012 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903752912 584796030 /nfs/dbraw/zinc/79/60/30/584796030.db2.gz PZVQODPPLDHYHU-RYUDHWBXSA-N 2 1 242.363 1.117 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000903768775 584798249 /nfs/dbraw/zinc/79/82/49/584798249.db2.gz QMKDEAXLJAUIQU-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC000903842995 584807660 /nfs/dbraw/zinc/80/76/60/584807660.db2.gz ZYYOEZGZXJLTMK-PTFZSRKFSA-N 2 1 200.713 1.551 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC1CCOCC1 ZINC000903853080 584808400 /nfs/dbraw/zinc/80/84/00/584808400.db2.gz DIGSKRYYZMMGQJ-OLZOCXBDSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC1CCOCC1 ZINC000903853080 584808401 /nfs/dbraw/zinc/80/84/01/584808401.db2.gz DIGSKRYYZMMGQJ-OLZOCXBDSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC000903856893 584810154 /nfs/dbraw/zinc/81/01/54/584810154.db2.gz TUBVZVZVDXIKQB-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC1CCCC1 ZINC000903856893 584810155 /nfs/dbraw/zinc/81/01/55/584810155.db2.gz TUBVZVZVDXIKQB-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857861 584810384 /nfs/dbraw/zinc/81/03/84/584810384.db2.gz GCUIXSRGRFDSNN-LDIIPZEWSA-N 2 1 206.333 1.932 20 0 BDADMP C=C/C=C\CC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857861 584810385 /nfs/dbraw/zinc/81/03/85/584810385.db2.gz GCUIXSRGRFDSNN-LDIIPZEWSA-N 2 1 206.333 1.932 20 0 BDADMP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)[C@H]1CCCO1 ZINC000903870975 584814333 /nfs/dbraw/zinc/81/43/33/584814333.db2.gz QJGUDQINDQXXSB-OLZOCXBDSA-N 2 1 224.348 1.383 20 0 BDADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)[C@H]1CCCO1 ZINC000903870975 584814334 /nfs/dbraw/zinc/81/43/34/584814334.db2.gz QJGUDQINDQXXSB-OLZOCXBDSA-N 2 1 224.348 1.383 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000903870788 584814581 /nfs/dbraw/zinc/81/45/81/584814581.db2.gz JHTFHJWBZCOWJV-UHFFFAOYSA-N 2 1 248.374 1.574 20 0 BDADMP [NH3+][C@@H](CC(F)F)C[N@@H+](CCO)C1CCCC1 ZINC000903872026 584815608 /nfs/dbraw/zinc/81/56/08/584815608.db2.gz AXGYEEOVFUYLLA-VIFPVBQESA-N 2 1 236.306 1.206 20 0 BDADMP C[C@H]1NCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000903873947 584815989 /nfs/dbraw/zinc/81/59/89/584815989.db2.gz OOMCYSUWHZMISF-YJBUHQLJSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1[NH2+]CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000903873947 584815991 /nfs/dbraw/zinc/81/59/91/584815991.db2.gz OOMCYSUWHZMISF-YJBUHQLJSA-N 2 1 237.391 1.199 20 0 BDADMP CN(C[C@H]([NH3+])CC(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000903892910 584818700 /nfs/dbraw/zinc/81/87/00/584818700.db2.gz XZYCQKLZWULGIB-KOLCDFICSA-N 2 1 247.333 1.137 20 0 BDADMP C[C@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893165 584818902 /nfs/dbraw/zinc/81/89/02/584818902.db2.gz RTCIXLBXKNWHRB-NWDGAFQWSA-N 2 1 249.362 1.187 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903897964 584820023 /nfs/dbraw/zinc/82/00/23/584820023.db2.gz KTOIHFDSWJFSSV-GHMZBOCLSA-N 2 1 249.349 1.243 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919886 584823096 /nfs/dbraw/zinc/82/30/96/584823096.db2.gz QBXIYMFCFOCSGF-JWURUJNWSA-N 3 1 237.391 1.105 20 0 BDADMP CCN[C@H](C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919260 584823129 /nfs/dbraw/zinc/82/31/29/584823129.db2.gz LKFVGSGTTIAYJA-ODWCKFRGSA-N 2 1 225.380 1.105 20 0 BDADMP [NH3+][C@H](C[NH2+]CCc1ccccc1)CC(F)F ZINC000903923557 584823828 /nfs/dbraw/zinc/82/38/28/584823828.db2.gz XASGFAZNEYLYAB-NSHDSACASA-N 2 1 228.286 1.801 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC000903935075 584825783 /nfs/dbraw/zinc/82/57/83/584825783.db2.gz LUYDNAOSLATBKS-RFLLOBDJSA-N 2 1 237.391 1.044 20 0 BDADMP CC(C)[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[N@H+]1C ZINC000903937111 584826454 /nfs/dbraw/zinc/82/64/54/584826454.db2.gz BMQJYDUGMDYKAI-WDEREUQCSA-N 2 1 249.349 1.241 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903917983 584826893 /nfs/dbraw/zinc/82/68/93/584826893.db2.gz POCQDSBBTINSAL-SNVBAGLBSA-N 2 1 247.333 1.044 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903917983 584826895 /nfs/dbraw/zinc/82/68/95/584826895.db2.gz POCQDSBBTINSAL-SNVBAGLBSA-N 2 1 247.333 1.044 20 0 BDADMP N[C@H](CC(F)F)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903917983 584826897 /nfs/dbraw/zinc/82/68/97/584826897.db2.gz POCQDSBBTINSAL-SNVBAGLBSA-N 2 1 247.333 1.044 20 0 BDADMP N[C@H](CC(F)F)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903917983 584826899 /nfs/dbraw/zinc/82/68/99/584826899.db2.gz POCQDSBBTINSAL-SNVBAGLBSA-N 2 1 247.333 1.044 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953383 584831262 /nfs/dbraw/zinc/83/12/62/584831262.db2.gz DQLSGVYUKRAKFJ-RDBSUJKOSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953377 584831407 /nfs/dbraw/zinc/83/14/07/584831407.db2.gz DQLSGVYUKRAKFJ-IHRRRGAJSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903953877 584831675 /nfs/dbraw/zinc/83/16/75/584831675.db2.gz MKFHUFDXDSLIOY-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903953877 584831676 /nfs/dbraw/zinc/83/16/76/584831676.db2.gz MKFHUFDXDSLIOY-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1F ZINC000903964291 584834196 /nfs/dbraw/zinc/83/41/96/584834196.db2.gz IBQDEOFQWICTTR-PWSUYJOCSA-N 2 1 222.307 1.771 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903967125 584835066 /nfs/dbraw/zinc/83/50/66/584835066.db2.gz HMOONSDVPNVLFM-MQYQWHSLSA-N 2 1 239.407 1.162 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903967125 584835068 /nfs/dbraw/zinc/83/50/68/584835068.db2.gz HMOONSDVPNVLFM-MQYQWHSLSA-N 3 1 239.407 1.162 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903967125 584835070 /nfs/dbraw/zinc/83/50/70/584835070.db2.gz HMOONSDVPNVLFM-MQYQWHSLSA-N 3 1 239.407 1.162 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc[nH]2)C1 ZINC000904302481 584862193 /nfs/dbraw/zinc/86/21/93/584862193.db2.gz VCXXVBANPSDHOL-NTZNESFSSA-N 2 1 219.332 1.889 20 0 BDADMP CC[N@H+](CCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904302472 584862385 /nfs/dbraw/zinc/86/23/85/584862385.db2.gz UQKDQFHOJLDLEQ-NSHDSACASA-N 2 1 216.369 1.454 20 0 BDADMP CC[N@@H+](CCO)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904302472 584862386 /nfs/dbraw/zinc/86/23/86/584862386.db2.gz UQKDQFHOJLDLEQ-NSHDSACASA-N 2 1 216.369 1.454 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCOC1 ZINC000904309952 584862551 /nfs/dbraw/zinc/86/25/51/584862551.db2.gz TXMGNCVHBJMXCM-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1CO ZINC000904312031 584862701 /nfs/dbraw/zinc/86/27/01/584862701.db2.gz DRTJHBLPIGXIJA-NEPJUHHUSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CO ZINC000904312031 584862703 /nfs/dbraw/zinc/86/27/03/584862703.db2.gz DRTJHBLPIGXIJA-NEPJUHHUSA-N 2 1 228.380 1.597 20 0 BDADMP CC[N@@H+](CCC(=O)OC)C[C@]1(C)CCC[NH2+]C1 ZINC000904313684 584863400 /nfs/dbraw/zinc/86/34/00/584863400.db2.gz XUWLIPSLTWQZPH-CYBMUJFWSA-N 2 1 242.363 1.261 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904323289 584864768 /nfs/dbraw/zinc/86/47/68/584864768.db2.gz NSQXFFVFGXJFPR-RVMXOQNASA-N 2 1 225.380 1.138 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000904323289 584864769 /nfs/dbraw/zinc/86/47/69/584864769.db2.gz NSQXFFVFGXJFPR-RVMXOQNASA-N 3 1 225.380 1.138 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000904323289 584864770 /nfs/dbraw/zinc/86/47/70/584864770.db2.gz NSQXFFVFGXJFPR-RVMXOQNASA-N 3 1 225.380 1.138 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[NH+]1C ZINC000904323289 584864771 /nfs/dbraw/zinc/86/47/71/584864771.db2.gz NSQXFFVFGXJFPR-RVMXOQNASA-N 3 1 225.380 1.138 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC[NH+]1C ZINC000904323289 584864772 /nfs/dbraw/zinc/86/47/72/584864772.db2.gz NSQXFFVFGXJFPR-RVMXOQNASA-N 3 1 225.380 1.138 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322570 584864921 /nfs/dbraw/zinc/86/49/21/584864921.db2.gz DEKZSFLLCSPWAS-MQYQWHSLSA-N 3 1 239.407 1.386 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322570 584864923 /nfs/dbraw/zinc/86/49/23/584864923.db2.gz DEKZSFLLCSPWAS-MQYQWHSLSA-N 3 1 239.407 1.386 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322570 584864925 /nfs/dbraw/zinc/86/49/25/584864925.db2.gz DEKZSFLLCSPWAS-MQYQWHSLSA-N 3 1 239.407 1.386 20 0 BDADMP CCN1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322570 584864927 /nfs/dbraw/zinc/86/49/27/584864927.db2.gz DEKZSFLLCSPWAS-MQYQWHSLSA-N 2 1 239.407 1.386 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322570 584864929 /nfs/dbraw/zinc/86/49/29/584864929.db2.gz DEKZSFLLCSPWAS-MQYQWHSLSA-N 2 1 239.407 1.386 20 0 BDADMP CCc1cnc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000904327052 584865414 /nfs/dbraw/zinc/86/54/14/584865414.db2.gz XYNSEWURZJQXQL-AOOOYVTPSA-N 2 1 239.388 1.875 20 0 BDADMP CCN1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340712 584866554 /nfs/dbraw/zinc/86/65/54/584866554.db2.gz LBRPMFXUJSDWOR-LPWJVIDDSA-N 2 1 225.380 1.138 20 0 BDADMP CCN1C[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904340723 584866569 /nfs/dbraw/zinc/86/65/69/584866569.db2.gz LBRPMFXUJSDWOR-XQHKEYJVSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H](O)C[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904335598 584866804 /nfs/dbraw/zinc/86/68/04/584866804.db2.gz GUVVMJINBJSBOC-GHMZBOCLSA-N 2 1 216.369 1.453 20 0 BDADMP C[C@@H](O)C[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904335598 584866805 /nfs/dbraw/zinc/86/68/05/584866805.db2.gz GUVVMJINBJSBOC-GHMZBOCLSA-N 2 1 216.369 1.453 20 0 BDADMP CCOC(=O)[C@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904341008 584867577 /nfs/dbraw/zinc/86/75/77/584867577.db2.gz HMNYSHMVFZCNJM-GARJFASQSA-N 2 1 240.347 1.140 20 0 BDADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343294 584867967 /nfs/dbraw/zinc/86/79/67/584867967.db2.gz SGMGBUMQYNNNIC-RXGFPQBGSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349744 584868865 /nfs/dbraw/zinc/86/88/65/584868865.db2.gz ASPPQSCTNVNSCI-QEYWKRMJSA-N 2 1 236.281 1.996 20 0 BDADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904349743 584868912 /nfs/dbraw/zinc/86/89/12/584868912.db2.gz ASPPQSCTNVNSCI-IMSYWVGJSA-N 2 1 236.281 1.996 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904351342 584869617 /nfs/dbraw/zinc/86/96/17/584869617.db2.gz YBVMZIVWWGECTP-HNNXBMFYSA-N 3 1 247.386 1.849 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000904356714 584871137 /nfs/dbraw/zinc/87/11/37/584871137.db2.gz YLFVALPOIQRVLH-GHMZBOCLSA-N 2 1 234.347 1.578 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904374932 584874352 /nfs/dbraw/zinc/87/43/52/584874352.db2.gz YLVKETCQDJEUMD-SRVKXCTJSA-N 3 1 213.369 1.092 20 0 BDADMP C[N@@H+](CC1=CCSC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904378644 584875830 /nfs/dbraw/zinc/87/58/30/584875830.db2.gz GNKSZNXCDSTIID-CYBMUJFWSA-N 2 1 240.416 1.981 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000904378342 584875970 /nfs/dbraw/zinc/87/59/70/584875970.db2.gz BABPVPATCBLWES-VNHYZAJKSA-N 2 1 246.354 1.877 20 0 BDADMP CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904384025 584877565 /nfs/dbraw/zinc/87/75/65/584877565.db2.gz GMMQHLNTZBHWBS-GRYCIOLGSA-N 2 1 240.347 1.045 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407109 584878967 /nfs/dbraw/zinc/87/89/67/584878967.db2.gz NJGQMKMVVWFLDN-NEPJUHHUSA-N 3 1 213.369 1.031 20 0 BDADMP CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407109 584878968 /nfs/dbraw/zinc/87/89/68/584878968.db2.gz NJGQMKMVVWFLDN-NEPJUHHUSA-N 2 1 213.369 1.031 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407109 584878970 /nfs/dbraw/zinc/87/89/70/584878970.db2.gz NJGQMKMVVWFLDN-NEPJUHHUSA-N 2 1 213.369 1.031 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nccn2C2CC2)CC[C@H]1C[NH3+] ZINC000904409605 584878996 /nfs/dbraw/zinc/87/89/96/584878996.db2.gz DJDKOGFURVXXJU-RYUDHWBXSA-N 2 1 248.374 1.635 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410598 584879041 /nfs/dbraw/zinc/87/90/41/584879041.db2.gz PNOLQIMAPLSHCG-RWMBFGLXSA-N 3 1 227.396 1.134 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC000904410552 584879142 /nfs/dbraw/zinc/87/91/42/584879142.db2.gz HJZBBNQLASQRGS-PWSUYJOCSA-N 2 1 234.347 1.081 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904407289 584879152 /nfs/dbraw/zinc/87/91/52/584879152.db2.gz SNDSBZWPCFDBQC-AWEZNQCLSA-N 3 1 233.359 1.316 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904409701 584879323 /nfs/dbraw/zinc/87/93/23/584879323.db2.gz GQOCQHCGJLMQHP-AGIUHOORSA-N 2 1 227.396 1.277 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904409701 584879324 /nfs/dbraw/zinc/87/93/24/584879324.db2.gz GQOCQHCGJLMQHP-AGIUHOORSA-N 2 1 227.396 1.277 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cocn2)CC[C@@H]1C[NH3+] ZINC000904411970 584879727 /nfs/dbraw/zinc/87/97/27/584879727.db2.gz YKDQRANDJBWHCO-VHSXEESVSA-N 2 1 209.293 1.091 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000904417424 584881617 /nfs/dbraw/zinc/88/16/17/584881617.db2.gz BOSXQUGZEJGJKO-XJFOESAGSA-N 2 1 240.391 1.718 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421014 584881879 /nfs/dbraw/zinc/88/18/79/584881879.db2.gz LFPBMODRAKXOEE-GXTWGEPZSA-N 2 1 246.354 1.737 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904418885 584881890 /nfs/dbraw/zinc/88/18/90/584881890.db2.gz GPIPYRVNTBKQOM-LSDHHAIUSA-N 3 1 245.370 1.187 20 0 BDADMP CC(C)n1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904420858 584882377 /nfs/dbraw/zinc/88/23/77/584882377.db2.gz IQJJJFAAOJKMNG-UONOGXRCSA-N 2 1 248.374 1.505 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904420858 584882378 /nfs/dbraw/zinc/88/23/78/584882378.db2.gz IQJJJFAAOJKMNG-UONOGXRCSA-N 2 1 248.374 1.505 20 0 BDADMP Cc1noc(C)c1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000842471557 584897543 /nfs/dbraw/zinc/89/75/43/584897543.db2.gz ISJZWZVIHGLQND-LBPRGKRZSA-N 2 1 237.347 1.723 20 0 BDADMP Cc1nonc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000734148667 584957590 /nfs/dbraw/zinc/95/75/90/584957590.db2.gz FVBHTWZPVFVMIZ-UHFFFAOYSA-N 2 1 238.335 1.152 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000817943164 584991988 /nfs/dbraw/zinc/99/19/88/584991988.db2.gz JWEKOOVFALPLRP-NSHDSACASA-N 2 1 222.336 1.376 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C2CC2)C1 ZINC000838862562 585075961 /nfs/dbraw/zinc/07/59/61/585075961.db2.gz KTBYRPWAGLWNTA-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838862562 585075962 /nfs/dbraw/zinc/07/59/62/585075962.db2.gz KTBYRPWAGLWNTA-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838862562 585075963 /nfs/dbraw/zinc/07/59/63/585075963.db2.gz KTBYRPWAGLWNTA-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CC2)[C@@H](C)C1 ZINC000838895415 585079107 /nfs/dbraw/zinc/07/91/07/585079107.db2.gz OHMPTSFVEULHKP-FPMFFAJLSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)C2CC2)[C@@H](C)C1 ZINC000838895415 585079108 /nfs/dbraw/zinc/07/91/08/585079108.db2.gz OHMPTSFVEULHKP-FPMFFAJLSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)C2CC2)[C@@H](C)C1 ZINC000838895415 585079109 /nfs/dbraw/zinc/07/91/09/585079109.db2.gz OHMPTSFVEULHKP-FPMFFAJLSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886841718 585184152 /nfs/dbraw/zinc/18/41/52/585184152.db2.gz TVQMDUWZBKQYKD-YVECIDJPSA-N 2 1 224.348 1.225 20 0 BDADMP FCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749514806 585203440 /nfs/dbraw/zinc/20/34/40/585203440.db2.gz MDBIFSZQNAUKEK-WCQYABFASA-N 2 1 226.339 1.905 20 0 BDADMP FCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749514806 585203441 /nfs/dbraw/zinc/20/34/41/585203441.db2.gz MDBIFSZQNAUKEK-WCQYABFASA-N 2 1 226.339 1.905 20 0 BDADMP FCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749514806 585203442 /nfs/dbraw/zinc/20/34/42/585203442.db2.gz MDBIFSZQNAUKEK-WCQYABFASA-N 2 1 226.339 1.905 20 0 BDADMP FCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749514806 585203443 /nfs/dbraw/zinc/20/34/43/585203443.db2.gz MDBIFSZQNAUKEK-WCQYABFASA-N 2 1 226.339 1.905 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCCCCO)CC[N@@H+]1C ZINC000750185879 585211848 /nfs/dbraw/zinc/21/18/48/585211848.db2.gz UEDCAOYBAVVNSU-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCCCCCO)CC[N@H+]1C ZINC000750185879 585211849 /nfs/dbraw/zinc/21/18/49/585211849.db2.gz UEDCAOYBAVVNSU-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCCCCCO)CC[NH+]1C ZINC000750185879 585211850 /nfs/dbraw/zinc/21/18/50/585211850.db2.gz UEDCAOYBAVVNSU-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCCO)CC[NH+]1C ZINC000750185879 585211851 /nfs/dbraw/zinc/21/18/51/585211851.db2.gz UEDCAOYBAVVNSU-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@H+]1CCN(CC[NH+]2CCCC2)C[C@H]1C ZINC000760886188 585401120 /nfs/dbraw/zinc/40/11/20/585401120.db2.gz MIAKPXKFASBOQW-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C[C@H]1CN(CC[NH+]2CCCCC2)CC[N@H+]1C ZINC000761080492 585404227 /nfs/dbraw/zinc/40/42/27/585404227.db2.gz UEPQKPUHMJYGHJ-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCOC2CCC2)[C@@H](C)C1 ZINC000777119719 585708843 /nfs/dbraw/zinc/70/88/43/585708843.db2.gz CQQROETWMFFOTO-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CCO ZINC000779342982 585751798 /nfs/dbraw/zinc/75/17/98/585751798.db2.gz QDZYSLIDSADVST-NSHDSACASA-N 2 1 202.342 1.077 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CCO ZINC000779345187 585751971 /nfs/dbraw/zinc/75/19/71/585751971.db2.gz NPMKOBBVLIBBNM-WDEREUQCSA-N 2 1 202.342 1.077 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779393284 585753133 /nfs/dbraw/zinc/75/31/33/585753133.db2.gz RCYUWICCVGJMTL-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc1 ZINC000785933125 585883811 /nfs/dbraw/zinc/88/38/11/585883811.db2.gz MOLPMCISVPDCHA-TXEJJXNPSA-N 2 1 247.342 1.084 20 0 BDADMP C[NH+](C)CCC[N@H+](C)C[C@@H]1CCC=CO1 ZINC000809729610 586515366 /nfs/dbraw/zinc/51/53/66/586515366.db2.gz LQMUACBCIYSMRC-LBPRGKRZSA-N 2 1 212.337 1.563 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000809729610 586515367 /nfs/dbraw/zinc/51/53/67/586515367.db2.gz LQMUACBCIYSMRC-LBPRGKRZSA-N 2 1 212.337 1.563 20 0 BDADMP C[NH+](C)CCC[N@H+](C)C[C@H]1CCC=CO1 ZINC000809729609 586515387 /nfs/dbraw/zinc/51/53/87/586515387.db2.gz LQMUACBCIYSMRC-GFCCVEGCSA-N 2 1 212.337 1.563 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1CCC=CO1 ZINC000809729609 586515388 /nfs/dbraw/zinc/51/53/88/586515388.db2.gz LQMUACBCIYSMRC-GFCCVEGCSA-N 2 1 212.337 1.563 20 0 BDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C1 ZINC000817888102 586832170 /nfs/dbraw/zinc/83/21/70/586832170.db2.gz APGVWMCURJWDGY-CFVMTHIKSA-N 2 1 247.386 1.239 20 0 BDADMP CS[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000817897160 586834823 /nfs/dbraw/zinc/83/48/23/586834823.db2.gz GJTQOTPHOZWMPD-KXNHARMFSA-N 2 1 228.405 1.858 20 0 BDADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817911437 586838368 /nfs/dbraw/zinc/83/83/68/586838368.db2.gz AMHFYNNTPZYVRA-AEGPPILISA-N 2 1 248.370 1.624 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912786 586838603 /nfs/dbraw/zinc/83/86/03/586838603.db2.gz IONVZQXFYKGTBY-IHRRRGAJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(F)n1 ZINC000817916537 586839727 /nfs/dbraw/zinc/83/97/27/586839727.db2.gz HBBRJYICXGEJLD-DTWKUNHWSA-N 2 1 211.284 1.436 20 0 BDADMP CC(C)(O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817925272 586841654 /nfs/dbraw/zinc/84/16/54/586841654.db2.gz UQXNXAZOMHVKTF-ZIAGYGMSSA-N 2 1 248.370 1.883 20 0 BDADMP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000817944806 586846323 /nfs/dbraw/zinc/84/63/23/586846323.db2.gz MSQCMNQZDHEAFE-VHSXEESVSA-N 2 1 216.394 1.858 20 0 BDADMP c1n[nH]c2c1[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000817955594 586849569 /nfs/dbraw/zinc/84/95/69/586849569.db2.gz ZNIFEBXCLQJPGR-ZYHUDNBSSA-N 2 1 234.347 1.376 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccnc1Cl ZINC000817962216 586853378 /nfs/dbraw/zinc/85/33/78/586853378.db2.gz JFYIYTYKKOWOCE-DTWKUNHWSA-N 2 1 227.739 1.980 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819309967 586949667 /nfs/dbraw/zinc/94/96/67/586949667.db2.gz QUONKCRVQDKBPH-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819309967 586949668 /nfs/dbraw/zinc/94/96/68/586949668.db2.gz QUONKCRVQDKBPH-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820812136 587074073 /nfs/dbraw/zinc/07/40/73/587074073.db2.gz DSJCUEFTXVOCQU-FZMOHWGLSA-N 2 1 224.348 1.115 20 0 BDADMP CC(C)CC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000827802273 587402192 /nfs/dbraw/zinc/40/21/92/587402192.db2.gz FEJVGOJVNYJRQB-VXGBXAGGSA-N 2 1 224.348 1.143 20 0 BDADMP Cc1ccncc1CCC[N@H+](C)C1(CO)CC1 ZINC000827903831 587408965 /nfs/dbraw/zinc/40/89/65/587408965.db2.gz QLIVROGYTZPXCQ-UHFFFAOYSA-N 2 1 234.343 1.779 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971249 587640493 /nfs/dbraw/zinc/64/04/93/587640493.db2.gz UHTVMTQBSFPQAG-WCQYABFASA-N 2 1 241.379 1.104 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)NCC(C)(C)[NH3+] ZINC000832796145 587690347 /nfs/dbraw/zinc/69/03/47/587690347.db2.gz AWPJDRNMKHHQKN-UHFFFAOYSA-N 2 1 243.395 1.352 20 0 BDADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)CCO ZINC000834844678 587768509 /nfs/dbraw/zinc/76/85/09/587768509.db2.gz TXEGBNALSUQNAC-KGLIPLIRSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]CCC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000841007343 587934819 /nfs/dbraw/zinc/93/48/19/587934819.db2.gz PHILTCYFODETEY-LSDHHAIUSA-N 2 1 248.370 1.923 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCC[NH2+]2)CCO1 ZINC000841032315 587936985 /nfs/dbraw/zinc/93/69/85/587936985.db2.gz CKGNAYPITSMKOK-BFHYXJOUSA-N 2 1 240.391 1.923 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033138 587937347 /nfs/dbraw/zinc/93/73/47/587937347.db2.gz LOPNZNSNYONFAD-OAHLLOKOSA-N 3 1 249.402 1.651 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CCCCCCC[NH3+] ZINC000842473480 588024951 /nfs/dbraw/zinc/02/49/51/588024951.db2.gz VORCUDSSHODZCY-LBPRGKRZSA-N 2 1 216.369 1.598 20 0 BDADMP CNC(=O)[C@@H](C)C[N@@H+](C)CCCCCCC[NH3+] ZINC000842473326 588028829 /nfs/dbraw/zinc/02/88/29/588028829.db2.gz VGWRJEGSQCUGIR-LBPRGKRZSA-N 2 1 243.395 1.210 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000842473153 588029314 /nfs/dbraw/zinc/02/93/14/588029314.db2.gz RJLBSMRITRSLDM-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000842473153 588029317 /nfs/dbraw/zinc/02/93/17/588029317.db2.gz RJLBSMRITRSLDM-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])[C@@H](C)CN1 ZINC000842473913 588029484 /nfs/dbraw/zinc/02/94/84/588029484.db2.gz RZFMULWJROFSMV-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H]1CN(CCCCCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000842473913 588029486 /nfs/dbraw/zinc/02/94/86/588029486.db2.gz RZFMULWJROFSMV-STQMWFEESA-N 2 1 227.396 1.578 20 0 BDADMP CCC[N@H+](C)Cc1nc([C@H](C)C[NH2+]C)no1 ZINC000842584604 588044554 /nfs/dbraw/zinc/04/45/54/588044554.db2.gz WNWXHHHJCYXJPF-SECBINFHSA-N 2 1 226.324 1.234 20 0 BDADMP CCC[N@@H+](C)Cc1nc([C@H](C)C[NH2+]C)no1 ZINC000842584604 588044556 /nfs/dbraw/zinc/04/45/56/588044556.db2.gz WNWXHHHJCYXJPF-SECBINFHSA-N 2 1 226.324 1.234 20 0 BDADMP C([C@H]1CCCOC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043798 588076334 /nfs/dbraw/zinc/07/63/34/588076334.db2.gz HSZHCRLFXPPRRS-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]C1CCC([NH3+])CC1 ZINC000843105177 588081527 /nfs/dbraw/zinc/08/15/27/588081527.db2.gz RMHQIEVNRHXRJC-MOENNCHZSA-N 2 1 213.369 1.219 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000843126159 588084165 /nfs/dbraw/zinc/08/41/65/588084165.db2.gz NQLSIVRLWFBMPL-UHFFFAOYSA-N 3 1 221.348 1.015 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343707 588101571 /nfs/dbraw/zinc/10/15/71/588101571.db2.gz FSOPBGDOCSKRHH-NEPJUHHUSA-N 3 1 213.369 1.093 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843365390 588104341 /nfs/dbraw/zinc/10/43/41/588104341.db2.gz GSCUMRDPJQXNLH-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCCCO ZINC000843360788 588104411 /nfs/dbraw/zinc/10/44/11/588104411.db2.gz JLFXQXKVINMZAM-AGUYFDCRSA-N 2 1 240.391 1.883 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364706 588104605 /nfs/dbraw/zinc/10/46/05/588104605.db2.gz LQAMOQGDKFUIDD-GFCCVEGCSA-N 2 1 246.358 1.613 20 0 BDADMP C[C@H]1NCC[N@@H+](CCCCCCC[NH3+])[C@@H]1C ZINC000843377344 588104750 /nfs/dbraw/zinc/10/47/50/588104750.db2.gz OSXIPHSCSFIINF-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP C[C@H]1[NH2+]CCN(CCCCCCC[NH3+])[C@@H]1C ZINC000843377344 588104751 /nfs/dbraw/zinc/10/47/51/588104751.db2.gz OSXIPHSCSFIINF-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP FCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386046 588105856 /nfs/dbraw/zinc/10/58/56/588105856.db2.gz BISCPNFQVISLMP-NEPJUHHUSA-N 2 1 214.328 1.668 20 0 BDADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000844200060 588173486 /nfs/dbraw/zinc/17/34/86/588173486.db2.gz HBHXKCNUVQWPEC-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000846220439 588259928 /nfs/dbraw/zinc/25/99/28/588259928.db2.gz PIUMHWZQAVBWQY-ZDUSSCGKSA-N 3 1 225.380 1.191 20 0 BDADMP C[C@@H](N)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846216095 588260332 /nfs/dbraw/zinc/26/03/32/588260332.db2.gz PKLFURDOLLNKRR-OLZOCXBDSA-N 3 1 227.396 1.707 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCCN1CCCCCC[NH3+] ZINC000846216095 588260333 /nfs/dbraw/zinc/26/03/33/588260333.db2.gz PKLFURDOLLNKRR-OLZOCXBDSA-N 3 1 227.396 1.707 20 0 BDADMP C[NH2+]C1CCN(CCCCCC[NH3+])CC1 ZINC000846217171 588260369 /nfs/dbraw/zinc/26/03/69/588260369.db2.gz BXOBOTPCBDRREH-UHFFFAOYSA-N 2 1 213.369 1.189 20 0 BDADMP [NH3+]CCCCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000846213587 588260605 /nfs/dbraw/zinc/26/06/05/588260605.db2.gz CGUFUVYXMOOSAS-UHFFFAOYSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCCC[N@H+](C1CC1)C1CCNCC1 ZINC000846213587 588260606 /nfs/dbraw/zinc/26/06/06/588260606.db2.gz CGUFUVYXMOOSAS-UHFFFAOYSA-N 2 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCCC[N@@H+](C1CC1)C1CCNCC1 ZINC000846213587 588260607 /nfs/dbraw/zinc/26/06/07/588260607.db2.gz CGUFUVYXMOOSAS-UHFFFAOYSA-N 2 1 239.407 1.722 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846221396 588261137 /nfs/dbraw/zinc/26/11/37/588261137.db2.gz YHWFMSGUTUGOIH-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](C)CN1 ZINC000846220144 588261320 /nfs/dbraw/zinc/26/13/20/588261320.db2.gz DGIBGZPJQNSXFM-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@H]1CN(CCCCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000846220144 588261321 /nfs/dbraw/zinc/26/13/21/588261321.db2.gz DGIBGZPJQNSXFM-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP CCC[C@@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000846221356 588261323 /nfs/dbraw/zinc/26/13/23/588261323.db2.gz XPRVWPZMHUFWQY-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@@H]1C[C@H]1C(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000848520002 588391086 /nfs/dbraw/zinc/39/10/86/588391086.db2.gz NXBRLMFAMORCNO-GHMZBOCLSA-N 2 1 225.336 1.627 20 0 BDADMP CCNC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000848989301 588426701 /nfs/dbraw/zinc/42/67/01/588426701.db2.gz MAQUHIMJXPGEKW-LBPRGKRZSA-N 2 1 240.395 1.775 20 0 BDADMP CC(C)CNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004170 588431491 /nfs/dbraw/zinc/43/14/91/588431491.db2.gz DMGNTTDKVOOLON-LLVKDONJSA-N 2 1 226.368 1.098 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004260 588431537 /nfs/dbraw/zinc/43/15/37/588431537.db2.gz JQXRNHFKZYNXCJ-WDEREUQCSA-N 2 1 226.368 1.241 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000849006130 588432565 /nfs/dbraw/zinc/43/25/65/588432565.db2.gz XCDQBTJIGBIJBU-LLVKDONJSA-N 2 1 224.352 1.091 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000849006131 588432648 /nfs/dbraw/zinc/43/26/48/588432648.db2.gz XCDQBTJIGBIJBU-NSHDSACASA-N 2 1 224.352 1.091 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])NC1CCCC1 ZINC000849005522 588432778 /nfs/dbraw/zinc/43/27/78/588432778.db2.gz HUBPXLSVXRFTPG-UHFFFAOYSA-N 2 1 240.395 1.775 20 0 BDADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NC1CCC1 ZINC000849009636 588434527 /nfs/dbraw/zinc/43/45/27/588434527.db2.gz MKZFDMDTKCDDEF-UHFFFAOYSA-N 2 1 249.362 1.638 20 0 BDADMP CCN(CC)C(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039715 588447092 /nfs/dbraw/zinc/44/70/92/588447092.db2.gz OYDIROJYRMLEQL-UHFFFAOYSA-N 2 1 240.395 1.727 20 0 BDADMP C[N@@H+](CCCCNC(=[NH2+])NC1CC1)C1CC1 ZINC000849039931 588447189 /nfs/dbraw/zinc/44/71/89/588447189.db2.gz YXUXZWOGTZWNOL-UHFFFAOYSA-N 2 1 224.352 1.137 20 0 BDADMP CCCCNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849047450 588450510 /nfs/dbraw/zinc/45/05/10/588450510.db2.gz WPFCRDOEBUCYRX-UHFFFAOYSA-N 2 1 242.411 1.878 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000108324040 588460565 /nfs/dbraw/zinc/46/05/65/588460565.db2.gz MSHRXXRXIRZLDV-CYBMUJFWSA-N 2 1 210.365 1.964 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC000852009087 588654870 /nfs/dbraw/zinc/65/48/70/588654870.db2.gz YCVPPNRWMYRLAV-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP COC(=O)[C@@]1(F)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000852753985 588700670 /nfs/dbraw/zinc/70/06/70/588700670.db2.gz WYSMBJVVQDOIHM-GFCCVEGCSA-N 2 1 246.326 1.093 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCCCC[NH3+])C2 ZINC000863560617 589299075 /nfs/dbraw/zinc/29/90/75/589299075.db2.gz MRORDKSYJLPISI-OKILXGFUSA-N 3 1 239.407 1.437 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])N[C@H]1C[C@H]1C)C(C)C ZINC000864456775 589367287 /nfs/dbraw/zinc/36/72/87/589367287.db2.gz MHIVGPIGVKZECD-MNOVXSKESA-N 2 1 226.368 1.239 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000864456956 589367475 /nfs/dbraw/zinc/36/74/75/589367475.db2.gz NZMDLVAATIIJIX-UHFFFAOYSA-N 2 1 228.384 1.629 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864458644 589368317 /nfs/dbraw/zinc/36/83/17/589368317.db2.gz PTDBUIPKQVGGFX-UHFFFAOYSA-N 2 1 240.395 1.632 20 0 BDADMP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000865875066 589466770 /nfs/dbraw/zinc/46/67/70/589466770.db2.gz AVVXTIRFFZPMJJ-UPJWGTAASA-N 2 1 242.407 1.998 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866208549 589480496 /nfs/dbraw/zinc/48/04/96/589480496.db2.gz NQYLPEIVXVZUOX-GXTWGEPZSA-N 2 1 231.343 1.920 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](SC)C2)CC1 ZINC000866487238 589496317 /nfs/dbraw/zinc/49/63/17/589496317.db2.gz WIFNVLFFQXTGMW-HAQNSBGRSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H](C1CC1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585205 589502081 /nfs/dbraw/zinc/50/20/81/589502081.db2.gz VMXNWGORPMTVET-RAIGVLPGSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585205 589502082 /nfs/dbraw/zinc/50/20/82/589502082.db2.gz VMXNWGORPMTVET-RAIGVLPGSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866585205 589502084 /nfs/dbraw/zinc/50/20/84/589502084.db2.gz VMXNWGORPMTVET-RAIGVLPGSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866585205 589502085 /nfs/dbraw/zinc/50/20/85/589502085.db2.gz VMXNWGORPMTVET-RAIGVLPGSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@H+]1CCCCCCC[NH3+] ZINC000866681988 589507494 /nfs/dbraw/zinc/50/74/94/589507494.db2.gz DPCFOBIZOTYPAW-VXGBXAGGSA-N 2 1 213.369 1.317 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCCCC[NH3+] ZINC000866681988 589507496 /nfs/dbraw/zinc/50/74/96/589507496.db2.gz DPCFOBIZOTYPAW-VXGBXAGGSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCCCCC[NH3+] ZINC000866681988 589507498 /nfs/dbraw/zinc/50/74/98/589507498.db2.gz DPCFOBIZOTYPAW-VXGBXAGGSA-N 3 1 213.369 1.317 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CN1CCCCCCC[NH3+] ZINC000866681988 589507499 /nfs/dbraw/zinc/50/74/99/589507499.db2.gz DPCFOBIZOTYPAW-VXGBXAGGSA-N 2 1 213.369 1.317 20 0 BDADMP CC1(C)CCNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000866699736 589512934 /nfs/dbraw/zinc/51/29/34/589512934.db2.gz UZGKWHMTUPAKQZ-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP CC1(C)CC[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000866699736 589512935 /nfs/dbraw/zinc/51/29/35/589512935.db2.gz UZGKWHMTUPAKQZ-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703716 589513270 /nfs/dbraw/zinc/51/32/70/589513270.db2.gz KTYGXBKQAHCKKH-DZGCQCFKSA-N 2 1 245.370 1.795 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703716 589513271 /nfs/dbraw/zinc/51/32/71/589513271.db2.gz KTYGXBKQAHCKKH-DZGCQCFKSA-N 2 1 245.370 1.795 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703716 589513272 /nfs/dbraw/zinc/51/32/72/589513272.db2.gz KTYGXBKQAHCKKH-DZGCQCFKSA-N 2 1 245.370 1.795 20 0 BDADMP CCOCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703628 589513773 /nfs/dbraw/zinc/51/37/73/589513773.db2.gz MWWAEGUNYCVKCP-ZDUSSCGKSA-N 2 1 228.380 1.720 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866717598 589514470 /nfs/dbraw/zinc/51/44/70/589514470.db2.gz JSGPOGINVZUTPA-ZJUUUORDSA-N 2 1 234.290 1.300 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866717598 589514472 /nfs/dbraw/zinc/51/44/72/589514472.db2.gz JSGPOGINVZUTPA-ZJUUUORDSA-N 2 1 234.290 1.300 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866723772 589515663 /nfs/dbraw/zinc/51/56/63/589515663.db2.gz IXUHILZSLODDCJ-CHWSQXEVSA-N 2 1 226.364 1.365 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866723772 589515665 /nfs/dbraw/zinc/51/56/65/589515665.db2.gz IXUHILZSLODDCJ-CHWSQXEVSA-N 2 1 226.364 1.365 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872144626 589883864 /nfs/dbraw/zinc/88/38/64/589883864.db2.gz IBNBVIFDDNVNRW-FRRDWIJNSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872145580 589884120 /nfs/dbraw/zinc/88/41/20/589884120.db2.gz UTNRMSAUQWWAJN-JHJVBQTASA-N 2 1 238.375 1.472 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000872149398 589884778 /nfs/dbraw/zinc/88/47/78/589884778.db2.gz VTGPUIWYBHMXGN-LLVKDONJSA-N 2 1 239.388 1.850 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1ccnc(N)c1 ZINC000872155078 589886434 /nfs/dbraw/zinc/88/64/34/589886434.db2.gz BTYBGKVMIIABSZ-UHFFFAOYSA-N 2 1 236.363 1.615 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000873209596 589995084 /nfs/dbraw/zinc/99/50/84/589995084.db2.gz PVYMHAPSUGYIPZ-KGLIPLIRSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)[C@H](C[NH3+])CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000873209596 589995085 /nfs/dbraw/zinc/99/50/85/589995085.db2.gz PVYMHAPSUGYIPZ-KGLIPLIRSA-N 2 1 239.407 1.293 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213437 589997531 /nfs/dbraw/zinc/99/75/31/589997531.db2.gz ZMOODAGUKLPHQY-RKDXNWHRSA-N 3 1 239.388 1.219 20 0 BDADMP C[C@@H]([NH2+]CCNC(C)(C)C)C1CC[NH2+]CC1 ZINC000873220864 589999271 /nfs/dbraw/zinc/99/92/71/589999271.db2.gz VHSKYGBLYDCCTK-LLVKDONJSA-N 2 1 227.396 1.352 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@]3(C)CC[NH2+]C3)CC[C@H]21 ZINC000873221832 589999342 /nfs/dbraw/zinc/99/93/42/589999342.db2.gz RKOCQKONDVINDX-MGPQQGTHSA-N 3 1 237.391 1.012 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CCCCCC[NH3+])CC[NH2+]1 ZINC000873231428 590003250 /nfs/dbraw/zinc/00/32/50/590003250.db2.gz IUICLOSHEWCZTH-KBPBESRZSA-N 3 1 241.423 1.825 20 0 BDADMP CC1(C)CC[C@@H](C[NH2+]C2CCC(O)CC2)[NH2+]C1 ZINC000873234240 590004053 /nfs/dbraw/zinc/00/40/53/590004053.db2.gz DBUCDVAEPJRJLJ-CPCZMJQVSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873237606 590004249 /nfs/dbraw/zinc/00/42/49/590004249.db2.gz RWJIVOSUJTVJBD-SDDRHHMPSA-N 2 1 226.364 1.532 20 0 BDADMP CC1(C)CC[C@H](C[NH2+]C2CCC(O)CC2)[NH2+]C1 ZINC000873234242 590004370 /nfs/dbraw/zinc/00/43/70/590004370.db2.gz DBUCDVAEPJRJLJ-OTTFEQOBSA-N 2 1 240.391 1.658 20 0 BDADMP CC1(C)CC[C@H](C[NH2+]C2CCOCC2)[NH2+]C1 ZINC000873234595 590004785 /nfs/dbraw/zinc/00/47/85/590004785.db2.gz GQHYUMBQKXLTAB-GFCCVEGCSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)[C@H]1CCC[NH2+]1 ZINC000873238547 590005880 /nfs/dbraw/zinc/00/58/80/590005880.db2.gz BFYUXSUGYATYJI-SWYYREQYSA-N 2 1 236.359 1.140 20 0 BDADMP CCCN1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873255957 590010883 /nfs/dbraw/zinc/01/08/83/590010883.db2.gz LFXWVKOGTSMFBP-TXEJJXNPSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000873260470 590013293 /nfs/dbraw/zinc/01/32/93/590013293.db2.gz AZNBMWQHCNGMJK-RKQHYHRCSA-N 2 1 237.391 1.247 20 0 BDADMP C[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000873260467 590013407 /nfs/dbraw/zinc/01/34/07/590013407.db2.gz AZNBMWQHCNGMJK-HPCHECBXSA-N 2 1 237.391 1.247 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCCC[C@H]1N)C1CC[NH2+]CC1 ZINC000873273278 590016745 /nfs/dbraw/zinc/01/67/45/590016745.db2.gz ZVTDNEHBOZBISJ-YUTCNCBUSA-N 2 1 239.407 1.624 20 0 BDADMP COCC(C)(C)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000873283026 590019814 /nfs/dbraw/zinc/01/98/14/590019814.db2.gz YEDZSYQYVGDKJW-NWDGAFQWSA-N 2 1 228.380 1.637 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103497 590283703 /nfs/dbraw/zinc/28/37/03/590283703.db2.gz VSZJNNLVUBBCJR-LBPRGKRZSA-N 2 1 243.395 1.304 20 0 BDADMP CCSCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877738237 590405144 /nfs/dbraw/zinc/40/51/44/590405144.db2.gz ATFLWCNTXBKEFQ-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877738237 590405145 /nfs/dbraw/zinc/40/51/45/590405145.db2.gz ATFLWCNTXBKEFQ-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877738237 590405147 /nfs/dbraw/zinc/40/51/47/590405147.db2.gz ATFLWCNTXBKEFQ-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738237 590405149 /nfs/dbraw/zinc/40/51/49/590405149.db2.gz ATFLWCNTXBKEFQ-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1C ZINC000877743797 590410987 /nfs/dbraw/zinc/41/09/87/590410987.db2.gz YJVMZFBAWYQTJC-TZMCWYRMSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)n1C ZINC000877743797 590410990 /nfs/dbraw/zinc/41/09/90/590410990.db2.gz YJVMZFBAWYQTJC-TZMCWYRMSA-N 2 1 248.374 1.255 20 0 BDADMP CSC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000127291228 590614751 /nfs/dbraw/zinc/61/47/51/590614751.db2.gz FURIPEWXLZHMOP-YEJSDXFRSA-N 2 1 228.405 1.953 20 0 BDADMP CCc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000127322941 590620912 /nfs/dbraw/zinc/62/09/12/590620912.db2.gz QDSBUXBUBKMVKS-KOLCDFICSA-N 2 1 234.347 1.521 20 0 BDADMP COCC[N@@H+](CCF)CC1CC[NH+](C)CC1 ZINC000879126118 590699581 /nfs/dbraw/zinc/69/95/81/590699581.db2.gz SYTCHALEBRFQDQ-UHFFFAOYSA-N 2 1 232.343 1.246 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccncc3)CC[C@H]21 ZINC000879570039 590806328 /nfs/dbraw/zinc/80/63/28/590806328.db2.gz WKABRDNFTLXTMM-HUUCEWRRSA-N 2 1 245.370 1.650 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccncc3)CC[C@H]21 ZINC000879570039 590806329 /nfs/dbraw/zinc/80/63/29/590806329.db2.gz WKABRDNFTLXTMM-HUUCEWRRSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccncc3)CC[C@H]21 ZINC000879570039 590806331 /nfs/dbraw/zinc/80/63/31/590806331.db2.gz WKABRDNFTLXTMM-HUUCEWRRSA-N 2 1 245.370 1.650 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccncc3)CC[C@H]21 ZINC000879570039 590806333 /nfs/dbraw/zinc/80/63/33/590806333.db2.gz WKABRDNFTLXTMM-HUUCEWRRSA-N 2 1 245.370 1.650 20 0 BDADMP CCOCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573624 590810556 /nfs/dbraw/zinc/81/05/56/590810556.db2.gz ZUJNZIZAEMVUJO-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573624 590810565 /nfs/dbraw/zinc/81/05/65/590810565.db2.gz ZUJNZIZAEMVUJO-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573624 590810570 /nfs/dbraw/zinc/81/05/70/590810570.db2.gz ZUJNZIZAEMVUJO-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP CCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573624 590810575 /nfs/dbraw/zinc/81/05/75/590810575.db2.gz ZUJNZIZAEMVUJO-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3(C)COC3)CC[C@H]21 ZINC000879574274 590812217 /nfs/dbraw/zinc/81/22/17/590812217.db2.gz YWKIONMQJYZVGP-VXGBXAGGSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3(C)COC3)CC[C@H]21 ZINC000879574274 590812219 /nfs/dbraw/zinc/81/22/19/590812219.db2.gz YWKIONMQJYZVGP-VXGBXAGGSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(C)COC3)CC[C@H]21 ZINC000879574274 590812225 /nfs/dbraw/zinc/81/22/25/590812225.db2.gz YWKIONMQJYZVGP-VXGBXAGGSA-N 2 1 224.348 1.049 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879579485 590818745 /nfs/dbraw/zinc/81/87/45/590818745.db2.gz MQQDZMBFEOIGNO-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879579485 590818746 /nfs/dbraw/zinc/81/87/46/590818746.db2.gz MQQDZMBFEOIGNO-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000879579485 590818749 /nfs/dbraw/zinc/81/87/49/590818749.db2.gz MQQDZMBFEOIGNO-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000879579485 590818752 /nfs/dbraw/zinc/81/87/52/590818752.db2.gz MQQDZMBFEOIGNO-FQUUOJAGSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOC3CCC3)CC[C@@H]21 ZINC000879580567 590821180 /nfs/dbraw/zinc/82/11/80/590821180.db2.gz UDYOADYKAUHKCA-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC3CCC3)CC[C@@H]21 ZINC000879580567 590821182 /nfs/dbraw/zinc/82/11/82/590821182.db2.gz UDYOADYKAUHKCA-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC3CCC3)CC[C@@H]21 ZINC000879580567 590821187 /nfs/dbraw/zinc/82/11/87/590821187.db2.gz UDYOADYKAUHKCA-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC3CCC3)CC[C@@H]21 ZINC000879580567 590821190 /nfs/dbraw/zinc/82/11/90/590821190.db2.gz UDYOADYKAUHKCA-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)C[N@@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000879701828 590852806 /nfs/dbraw/zinc/85/28/06/590852806.db2.gz BXGNGVZUXPCCKY-UHFFFAOYSA-N 2 1 242.407 1.669 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880142969 590943763 /nfs/dbraw/zinc/94/37/63/590943763.db2.gz WYABWXQEBJVFQF-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880142969 590943765 /nfs/dbraw/zinc/94/37/65/590943765.db2.gz WYABWXQEBJVFQF-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880142969 590943768 /nfs/dbraw/zinc/94/37/68/590943768.db2.gz WYABWXQEBJVFQF-MCIONIFRSA-N 2 1 237.391 1.249 20 0 BDADMP Cc1csc(C[NH2+]CC[C@@H]([NH3+])C(C)C)n1 ZINC000129239218 591269977 /nfs/dbraw/zinc/26/99/77/591269977.db2.gz MWUQKMZMGKIALH-SNVBAGLBSA-N 2 1 227.377 1.915 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2N)C1 ZINC000883028475 591520187 /nfs/dbraw/zinc/52/01/87/591520187.db2.gz LNVKJTGXTXPCEU-CHWSQXEVSA-N 2 1 248.374 1.626 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H](C[NH3+])C2)c1 ZINC000214061718 591531586 /nfs/dbraw/zinc/53/15/86/591531586.db2.gz FLDZMLVYJPQPNU-NSHDSACASA-N 2 1 235.331 1.179 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCOC(F)(F)F ZINC000883429825 591661353 /nfs/dbraw/zinc/66/13/53/591661353.db2.gz FWWQNRBDELGBPP-QMMMGPOBSA-N 2 1 242.285 1.876 20 0 BDADMP COCC[N@@H+](C)CCCNCc1cc(C)co1 ZINC000885922964 592109183 /nfs/dbraw/zinc/10/91/83/592109183.db2.gz MKCFWDKSWYEKMN-UHFFFAOYSA-N 2 1 240.347 1.646 20 0 BDADMP Cc1n[nH]c(C[NH2+]CCc2c[nH+]cn2C)c1C ZINC000886168555 592168442 /nfs/dbraw/zinc/16/84/42/592168442.db2.gz UKMMSTFHVYFYOJ-UHFFFAOYSA-N 2 1 233.319 1.092 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000886838392 592358840 /nfs/dbraw/zinc/35/88/40/592358840.db2.gz WTLODZFEVIKEBD-RQJABVFESA-N 2 1 236.359 1.097 20 0 BDADMP C([C@@H]1C[C@]12CCOC2)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000886838392 592358845 /nfs/dbraw/zinc/35/88/45/592358845.db2.gz WTLODZFEVIKEBD-RQJABVFESA-N 2 1 236.359 1.097 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886839963 592360842 /nfs/dbraw/zinc/36/08/42/592360842.db2.gz PSHWZNKMOSQZAH-RKQHYHRCSA-N 2 1 238.375 1.389 20 0 BDADMP Cc1nocc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874239 592376951 /nfs/dbraw/zinc/37/69/51/592376951.db2.gz JTXYILMYWSMGEI-AWEZNQCLSA-N 2 1 249.358 1.949 20 0 BDADMP Cc1nocc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874239 592376956 /nfs/dbraw/zinc/37/69/56/592376956.db2.gz JTXYILMYWSMGEI-AWEZNQCLSA-N 2 1 249.358 1.949 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876194 592378915 /nfs/dbraw/zinc/37/89/15/592378915.db2.gz WBTJPNTUAMUXRG-CQSZACIVSA-N 2 1 248.374 1.418 20 0 BDADMP COCCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130300 592448389 /nfs/dbraw/zinc/44/83/89/592448389.db2.gz BBMVVXDMCFSACK-ZDUSSCGKSA-N 2 1 249.358 1.629 20 0 BDADMP COC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132863 592448824 /nfs/dbraw/zinc/44/88/24/592448824.db2.gz OTEFBLZVQZEAIV-STQMWFEESA-N 2 1 249.358 1.627 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887348757 592484721 /nfs/dbraw/zinc/48/47/21/592484721.db2.gz WCIKRULCSVKTOA-LLVKDONJSA-N 2 1 238.379 1.242 20 0 BDADMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887348836 592485728 /nfs/dbraw/zinc/48/57/28/592485728.db2.gz YZQRHMGZZIQJIV-VIFPVBQESA-N 2 1 248.321 1.097 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300239268 592505269 /nfs/dbraw/zinc/50/52/69/592505269.db2.gz RSUHEZZYLHZUQD-RDBSUJKOSA-N 2 1 240.391 1.610 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000299995819 634403815 /nfs/dbraw/zinc/40/38/15/634403815.db2.gz MTADJXULERDSCG-QWHCGFSZSA-N 2 1 226.364 1.208 20 0 BDADMP Cc1cncc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)n1 ZINC000925711690 634412737 /nfs/dbraw/zinc/41/27/37/634412737.db2.gz ZPJVEGDBZYWXKS-GFCCVEGCSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@H](CCC[NH3+])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925712927 634417412 /nfs/dbraw/zinc/41/74/12/634417412.db2.gz VZZNEVGAUXXHEK-VXGBXAGGSA-N 2 1 225.380 1.378 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925714237 634421594 /nfs/dbraw/zinc/42/15/94/634421594.db2.gz XOXBSGPKSCNMKB-MJDLHHQISA-N 2 1 210.321 1.036 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716030 634444620 /nfs/dbraw/zinc/44/46/20/634444620.db2.gz OGIRRMSIYKWIBA-RWMBFGLXSA-N 3 1 241.423 1.855 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257701866 634473200 /nfs/dbraw/zinc/47/32/00/634473200.db2.gz QIUYQCIHLWCTDT-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257701867 634473912 /nfs/dbraw/zinc/47/39/12/634473912.db2.gz QIUYQCIHLWCTDT-ZDUSSCGKSA-N 2 1 238.375 1.631 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257731722 634486047 /nfs/dbraw/zinc/48/60/47/634486047.db2.gz XHAZDQVFOVRNOO-UONOGXRCSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000310116157 634587404 /nfs/dbraw/zinc/58/74/04/634587404.db2.gz CLEOOBCMOAVANA-DGCLKSJQSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000310116157 634587409 /nfs/dbraw/zinc/58/74/09/634587409.db2.gz CLEOOBCMOAVANA-DGCLKSJQSA-N 2 1 242.407 1.713 20 0 BDADMP CC(C)CNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000054108809 635389277 /nfs/dbraw/zinc/38/92/77/635389277.db2.gz XBTJCMIAUQRNGB-UHFFFAOYSA-N 2 1 214.357 1.097 20 0 BDADMP C1CC1[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925822933 635403836 /nfs/dbraw/zinc/40/38/36/635403836.db2.gz MLJVDFMSYMKJOA-AGIUHOORSA-N 2 1 236.359 1.428 20 0 BDADMP C1CC1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925822934 635404031 /nfs/dbraw/zinc/40/40/31/635404031.db2.gz MLJVDFMSYMKJOA-UPJWGTAASA-N 2 1 236.359 1.428 20 0 BDADMP c1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)nc1 ZINC000925822664 635404269 /nfs/dbraw/zinc/40/42/69/635404269.db2.gz NWWQNDQHAWGEEA-AWEZNQCLSA-N 2 1 231.343 1.874 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000227080363 635446209 /nfs/dbraw/zinc/44/62/09/635446209.db2.gz LEPJDCJKGYXEEW-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CCC[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925847634 635524581 /nfs/dbraw/zinc/52/45/81/635524581.db2.gz ZGXKAPORFWMXDN-CQSZACIVSA-N 2 1 241.423 1.840 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925853825 635542571 /nfs/dbraw/zinc/54/25/71/635542571.db2.gz CARINQUQKHZEFJ-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925881797 635610096 /nfs/dbraw/zinc/61/00/96/635610096.db2.gz UZMVDSGIBBQFHH-LPWJVIDDSA-N 2 1 208.349 1.764 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925881799 635610335 /nfs/dbraw/zinc/61/03/35/635610335.db2.gz UZMVDSGIBBQFHH-NDBYEHHHSA-N 2 1 208.349 1.764 20 0 BDADMP CCCNc1cc(N[C@@H]2CC[NH2+]C2)nc[nH+]1 ZINC000258565233 631513269 /nfs/dbraw/zinc/51/32/69/631513269.db2.gz CEDJLJGJYGXKSM-SECBINFHSA-N 2 1 221.308 1.072 20 0 BDADMP Cc1cccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000091672553 631542899 /nfs/dbraw/zinc/54/28/99/631542899.db2.gz SSXWEFWJQSZLKR-OLZOCXBDSA-N 2 1 247.342 1.665 20 0 BDADMP Cc1cccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000091672553 631542905 /nfs/dbraw/zinc/54/29/05/631542905.db2.gz SSXWEFWJQSZLKR-OLZOCXBDSA-N 2 1 247.342 1.665 20 0 BDADMP C[C@H]1CCN(Cn2cnnc2)C[C@H]1n1ccnc1 ZINC000245619696 635646560 /nfs/dbraw/zinc/64/65/60/635646560.db2.gz OMDQQAPOVFWSHX-NWDGAFQWSA-N 2 1 246.318 1.015 20 0 BDADMP OC[C@@H]1CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000934021092 631620881 /nfs/dbraw/zinc/62/08/81/631620881.db2.gz CZPAWPQSEKVBHW-AWEZNQCLSA-N 2 1 243.310 1.439 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251820632 631714773 /nfs/dbraw/zinc/71/47/73/631714773.db2.gz OYGYTWWCMINTHW-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C1=CC[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000308961822 631771308 /nfs/dbraw/zinc/77/13/08/631771308.db2.gz ZUBYDQJDRXYBKY-RWMBFGLXSA-N 2 1 206.333 1.494 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309060178 631834611 /nfs/dbraw/zinc/83/46/11/631834611.db2.gz XIZFDLMKCJJTLR-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1[nH]ncc1C[NH2+]C1CCC([NH3+])CC1 ZINC000051693957 631868111 /nfs/dbraw/zinc/86/81/11/631868111.db2.gz PHMJPTRPYBLVIO-UHFFFAOYSA-N 2 1 208.309 1.078 20 0 BDADMP CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000235179430 631991951 /nfs/dbraw/zinc/99/19/51/631991951.db2.gz OGOZCPSXYONHOC-GMTAPVOTSA-N 2 1 214.378 1.612 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000051919146 632012331 /nfs/dbraw/zinc/01/23/31/632012331.db2.gz TXJKBNNMAWNWEF-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000052043282 632053092 /nfs/dbraw/zinc/05/30/92/632053092.db2.gz RMSGYSUDPRNDJT-NSHDSACASA-N 2 1 226.368 1.241 20 0 BDADMP CCNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000052042661 632054560 /nfs/dbraw/zinc/05/45/60/632054560.db2.gz MZLZRKOBEIWPFZ-UHFFFAOYSA-N 2 1 240.395 1.775 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000052046943 632055142 /nfs/dbraw/zinc/05/51/42/632055142.db2.gz ZOGFOPJYMOSLNC-GFCCVEGCSA-N 2 1 238.379 1.527 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224610212 632061522 /nfs/dbraw/zinc/06/15/22/632061522.db2.gz OYCTVCKCAJTAPU-UWVGGRQHSA-N 2 1 200.351 1.020 20 0 BDADMP [NH3+][C@@H]1CC[C@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000091540793 632064092 /nfs/dbraw/zinc/06/40/92/632064092.db2.gz OHSHJZJQCIEQTO-UONOGXRCSA-N 2 1 237.391 1.141 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@H]1O)CC1CC[NH+](C)CC1 ZINC000250578375 635700114 /nfs/dbraw/zinc/70/01/14/635700114.db2.gz FRDWKSYMCRMFLQ-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412629 635709848 /nfs/dbraw/zinc/70/98/48/635709848.db2.gz AEQRISFKGSMSQF-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000250820654 632545219 /nfs/dbraw/zinc/54/52/19/632545219.db2.gz GBAISRMOYHXHFL-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP CN(C)c1nc(N[C@H]2CCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000089106022 632659288 /nfs/dbraw/zinc/65/92/88/632659288.db2.gz JDBXBJCDKHGKOT-ZJUUUORDSA-N 2 1 235.335 1.082 20 0 BDADMP C[C@H]([N@H+](C)C[C@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983081 632689848 /nfs/dbraw/zinc/68/98/48/632689848.db2.gz GJRNJCBDBJNOBE-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]([N@@H+](C)C[C@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983081 632689854 /nfs/dbraw/zinc/68/98/54/632689854.db2.gz GJRNJCBDBJNOBE-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310438221 632740373 /nfs/dbraw/zinc/74/03/73/632740373.db2.gz OZVXEHQBKAQWTK-ZDUSSCGKSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310438221 632740380 /nfs/dbraw/zinc/74/03/80/632740380.db2.gz OZVXEHQBKAQWTK-ZDUSSCGKSA-N 3 1 241.423 1.647 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000310459132 632743779 /nfs/dbraw/zinc/74/37/79/632743779.db2.gz AKIGUWWJCCVETR-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000310459132 632743783 /nfs/dbraw/zinc/74/37/83/632743783.db2.gz AKIGUWWJCCVETR-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000091996151 632775531 /nfs/dbraw/zinc/77/55/31/632775531.db2.gz ITMUOURLWMJEIM-LBPRGKRZSA-N 2 1 249.358 1.799 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CC1(F)F ZINC000926702424 632839435 /nfs/dbraw/zinc/83/94/35/632839435.db2.gz BVOVTYGAHFJVQP-AYLPWXGPSA-N 2 1 244.329 1.962 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC=CC1 ZINC000926746090 632946779 /nfs/dbraw/zinc/94/67/79/632946779.db2.gz UJIBROPRFUQNMV-PBWFPOADSA-N 2 1 220.360 1.882 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2OC)C1 ZINC000309371644 632986756 /nfs/dbraw/zinc/98/67/56/632986756.db2.gz POEMHOXNCQWNIT-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCOC1 ZINC000249984376 633014128 /nfs/dbraw/zinc/01/41/28/633014128.db2.gz LXRAYOBCOLJKFC-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000168858995 633149393 /nfs/dbraw/zinc/14/93/93/633149393.db2.gz OMEDILRCGBPHQR-NSHDSACASA-N 2 1 236.363 1.153 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000168858995 633149401 /nfs/dbraw/zinc/14/94/01/633149401.db2.gz OMEDILRCGBPHQR-NSHDSACASA-N 2 1 236.363 1.153 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000168858909 633151278 /nfs/dbraw/zinc/15/12/78/633151278.db2.gz OMEDILRCGBPHQR-LLVKDONJSA-N 2 1 236.363 1.153 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000168858909 633151272 /nfs/dbraw/zinc/15/12/72/633151272.db2.gz OMEDILRCGBPHQR-LLVKDONJSA-N 2 1 236.363 1.153 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCCOC ZINC000130933800 636038781 /nfs/dbraw/zinc/03/87/81/636038781.db2.gz LSHCPZWZOGSJBW-LBPRGKRZSA-N 2 1 214.353 1.487 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCCOC ZINC000130933800 636038792 /nfs/dbraw/zinc/03/87/92/636038792.db2.gz LSHCPZWZOGSJBW-LBPRGKRZSA-N 2 1 214.353 1.487 20 0 BDADMP CSC[C@H](C)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925504135 633832079 /nfs/dbraw/zinc/83/20/79/633832079.db2.gz MDLHPSDYAAULGS-IUCAKERBSA-N 2 1 202.367 1.468 20 0 BDADMP CC1(C)C[C@@H](NCC[NH+]2CCCC2)C[C@@H]([NH3+])C1 ZINC000925509288 633845788 /nfs/dbraw/zinc/84/57/88/633845788.db2.gz NCWUMTLUNYWNKR-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000219844611 633847699 /nfs/dbraw/zinc/84/76/99/633847699.db2.gz WHTVMMTVUIIJGB-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925585667 634093583 /nfs/dbraw/zinc/09/35/83/634093583.db2.gz JGPNFHJXJJZRGP-BDAKNGLRSA-N 2 1 202.367 1.468 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(F)n1 ZINC000925592053 634106143 /nfs/dbraw/zinc/10/61/43/634106143.db2.gz GBGLPOJGEFVHMR-BVUQATHDSA-N 2 1 249.333 1.651 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(F)n1 ZINC000925592053 634106149 /nfs/dbraw/zinc/10/61/49/634106149.db2.gz GBGLPOJGEFVHMR-BVUQATHDSA-N 2 1 249.333 1.651 20 0 BDADMP CCC[N@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925613446 634152721 /nfs/dbraw/zinc/15/27/21/634152721.db2.gz RBVSTKSDFLMGSQ-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925614658 634156247 /nfs/dbraw/zinc/15/62/47/634156247.db2.gz ZQYFRIDINLFBTN-CMPLNLGQSA-N 2 1 214.353 1.124 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccoc1 ZINC000053500413 634218799 /nfs/dbraw/zinc/21/87/99/634218799.db2.gz KUAJPAGKARTILS-UHFFFAOYSA-N 2 1 205.261 1.574 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925670389 634251043 /nfs/dbraw/zinc/25/10/43/634251043.db2.gz JMPUAHGTPHFHAB-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCn3ccnc32)C1 ZINC000925679975 634277300 /nfs/dbraw/zinc/27/73/00/634277300.db2.gz LZIVOBPJOFAGAS-IJLUTSLNSA-N 2 1 248.374 1.824 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925687763 634303265 /nfs/dbraw/zinc/30/32/65/634303265.db2.gz AVYINTQJRMJZIS-UONOGXRCSA-N 3 1 239.407 1.354 20 0 BDADMP COCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCCC1 ZINC000925688100 634305330 /nfs/dbraw/zinc/30/53/30/634305330.db2.gz BOGFDOQPZZXFSD-CHWSQXEVSA-N 2 1 240.391 1.923 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925690791 634313649 /nfs/dbraw/zinc/31/36/49/634313649.db2.gz GMFPRJOLLWFEST-XQQFMLRXSA-N 2 1 238.375 1.817 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CS1 ZINC000925693472 634325474 /nfs/dbraw/zinc/32/54/74/634325474.db2.gz CRKXPFHJMJUUGU-KXUCPTDWSA-N 2 1 214.378 1.611 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)[NH2+]2 ZINC000925693261 634327259 /nfs/dbraw/zinc/32/72/59/634327259.db2.gz QWGRMAMMBJBRNT-KUKLMFJYSA-N 3 1 249.402 1.388 20 0 BDADMP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCC1 ZINC000925695410 634347450 /nfs/dbraw/zinc/34/74/50/634347450.db2.gz WITOYVBCWXJWDE-CHWSQXEVSA-N 2 1 238.375 1.412 20 0 BDADMP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCC1 ZINC000925695413 634347899 /nfs/dbraw/zinc/34/78/99/634347899.db2.gz WITOYVBCWXJWDE-STQMWFEESA-N 2 1 238.375 1.412 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925697991 634362495 /nfs/dbraw/zinc/36/24/95/634362495.db2.gz BSGBBRGRXHBLMI-GRYCIOLGSA-N 2 1 225.380 1.363 20 0 BDADMP [NH3+]CCC[C@@H](NCC1C[NH2+]C1)c1ccccc1 ZINC000925701131 634374339 /nfs/dbraw/zinc/37/43/39/634374339.db2.gz ZPYIKANATPKHSJ-CQSZACIVSA-N 2 1 233.359 1.276 20 0 BDADMP C[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925701439 634374956 /nfs/dbraw/zinc/37/49/56/634374956.db2.gz ZMGAMRMLHGZKHK-MROQNXINSA-N 2 1 226.364 1.389 20 0 BDADMP CCSCCN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721288 635277587 /nfs/dbraw/zinc/27/75/87/635277587.db2.gz MUUPJHGVWLEESO-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@H]1CC[NH2+]C1 ZINC000925873886 635594522 /nfs/dbraw/zinc/59/45/22/635594522.db2.gz MQLYCRPGXPVEBU-PWSUYJOCSA-N 2 1 248.374 1.385 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)CO ZINC000925010633 635846947 /nfs/dbraw/zinc/84/69/47/635846947.db2.gz NAQSVJFUZHJSJK-NEPJUHHUSA-N 2 1 228.380 1.325 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084219817 636875135 /nfs/dbraw/zinc/87/51/35/636875135.db2.gz DZVFFIFHZLQMPS-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084219817 636875140 /nfs/dbraw/zinc/87/51/40/636875140.db2.gz DZVFFIFHZLQMPS-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084219817 636875145 /nfs/dbraw/zinc/87/51/45/636875145.db2.gz DZVFFIFHZLQMPS-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccnn1C ZINC000322819754 636881049 /nfs/dbraw/zinc/88/10/49/636881049.db2.gz BXDYBPXCWJJUKZ-WODVXLOZSA-N 2 1 248.374 1.696 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnn1C ZINC000322819754 636881053 /nfs/dbraw/zinc/88/10/53/636881053.db2.gz BXDYBPXCWJJUKZ-WODVXLOZSA-N 2 1 248.374 1.696 20 0 BDADMP C[N@H+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1(C)C ZINC000110763020 636885625 /nfs/dbraw/zinc/88/56/25/636885625.db2.gz GVBGARBNMHKLAE-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)C[NH+](C)C ZINC000926957429 636970958 /nfs/dbraw/zinc/97/09/58/636970958.db2.gz BNGFUXKDRJKAQD-RYUDHWBXSA-N 2 1 246.395 1.356 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H]1CC)C[NH+](C)C ZINC000926958011 636971562 /nfs/dbraw/zinc/97/15/62/636971562.db2.gz DLNUDBIFUCLWEG-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](COC)C(C)C)C[NH+](C)C ZINC000926966053 636978808 /nfs/dbraw/zinc/97/88/08/636978808.db2.gz VNVVHNPRCJYDJR-QWHCGFSZSA-N 2 1 246.395 1.214 20 0 BDADMP CC(C)C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725466 637380600 /nfs/dbraw/zinc/38/06/00/637380600.db2.gz ZXSBMSPDODAUJZ-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000903788209 637382437 /nfs/dbraw/zinc/38/24/37/637382437.db2.gz FWYBQQFDQBGQAD-RYUDHWBXSA-N 2 1 234.347 1.202 20 0 BDADMP Oc1cncc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000904434870 637402083 /nfs/dbraw/zinc/40/20/83/637402083.db2.gz ZOOXVVPTLGCLQQ-NSHDSACASA-N 2 1 221.304 1.019 20 0 BDADMP CCc1onc(C)c1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000904434843 637403078 /nfs/dbraw/zinc/40/30/78/637403078.db2.gz ZANRCGDITWSOGM-ZDUSSCGKSA-N 2 1 237.347 1.635 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000904451044 637417589 /nfs/dbraw/zinc/41/75/89/637417589.db2.gz VLVHXZLFTCVYOP-UHFFFAOYSA-N 2 1 245.301 1.955 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)CC[NH2+]C1 ZINC000904474327 637425387 /nfs/dbraw/zinc/42/53/87/637425387.db2.gz DLVCMTWSLIAYOA-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP C[C@]1([NH3+])CCCC[C@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905324748 637754723 /nfs/dbraw/zinc/75/47/23/637754723.db2.gz QAKKFKTUDVURLJ-KWQFWETISA-N 2 1 236.319 1.392 20 0 BDADMP C[C@H]([NH3+])c1ccc(-c2nc(C3([NH3+])CC3)no2)cc1 ZINC000905328118 637759371 /nfs/dbraw/zinc/75/93/71/637759371.db2.gz VYCFWALFINAXSM-QMMMGPOBSA-N 2 1 244.298 1.704 20 0 BDADMP Cn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(C(C)(C)C)n1 ZINC000906516341 638186002 /nfs/dbraw/zinc/18/60/02/638186002.db2.gz FDPUEDGTQLRQAY-XYPYZODXSA-N 2 1 236.363 1.297 20 0 BDADMP CCCC[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000906527002 638191100 /nfs/dbraw/zinc/19/11/00/638191100.db2.gz BRMNLRCIXSMCKR-UHFFFAOYSA-N 2 1 227.396 1.404 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930575794 639813201 /nfs/dbraw/zinc/81/32/01/639813201.db2.gz FGSXGXHSHWPSAO-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOC1CC1)C2 ZINC000930602288 639817482 /nfs/dbraw/zinc/81/74/82/639817482.db2.gz PGRUFIDUIDXOBX-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOC1CC1)C2 ZINC000930602288 639817483 /nfs/dbraw/zinc/81/74/83/639817483.db2.gz PGRUFIDUIDXOBX-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOC1CC1)C2 ZINC000930602288 639817484 /nfs/dbraw/zinc/81/74/84/639817484.db2.gz PGRUFIDUIDXOBX-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H](C1CC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904786 639979671 /nfs/dbraw/zinc/97/96/71/639979671.db2.gz VZUOLPCKWQLTRC-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](C1CC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904786 639979682 /nfs/dbraw/zinc/97/96/82/639979682.db2.gz VZUOLPCKWQLTRC-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C[C@H]1CCC[N@H+]1C ZINC000931036509 640030950 /nfs/dbraw/zinc/03/09/50/640030950.db2.gz GMCXHBYTGXLVLT-JHJVBQTASA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H](C1CC1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931066266 640054342 /nfs/dbraw/zinc/05/43/42/640054342.db2.gz HRZIVFZWHHXMNQ-SMDDNHRTSA-N 2 1 238.375 1.316 20 0 BDADMP CC(C)C[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277737 640128700 /nfs/dbraw/zinc/12/87/00/640128700.db2.gz ODRCNYVNRHUZQL-NDBYEHHHSA-N 2 1 210.365 1.913 20 0 BDADMP CC(C)C[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277737 640128708 /nfs/dbraw/zinc/12/87/08/640128708.db2.gz ODRCNYVNRHUZQL-NDBYEHHHSA-N 2 1 210.365 1.913 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000931278294 640130646 /nfs/dbraw/zinc/13/06/46/640130646.db2.gz VPYWYZMLMJREEB-ITGUQSILSA-N 2 1 222.376 1.914 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000931278294 640130651 /nfs/dbraw/zinc/13/06/51/640130651.db2.gz VPYWYZMLMJREEB-ITGUQSILSA-N 2 1 222.376 1.914 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3CCOC3)C[C@@]2(C)C1 ZINC000931305887 640142976 /nfs/dbraw/zinc/14/29/76/640142976.db2.gz IPKLKWZJTJZXKG-BFHYXJOUSA-N 2 1 238.375 1.297 20 0 BDADMP CO[C@H](C)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353782 640167127 /nfs/dbraw/zinc/16/71/27/640167127.db2.gz DZIWVVAZWYSOFO-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP CO[C@H](C)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310806 640147265 /nfs/dbraw/zinc/14/72/65/640147265.db2.gz HZQMRELEFHCWEG-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2CCC(C)([NH+](C)C)CC2)O1 ZINC000931353924 640167626 /nfs/dbraw/zinc/16/76/26/640167626.db2.gz HBHFHWYPVRQCGS-STQMWFEESA-N 2 1 240.391 1.970 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3cscn3)C[C@@H]2C1 ZINC000931430329 640198527 /nfs/dbraw/zinc/19/85/27/640198527.db2.gz NNUACUYRVPWIHI-MNOVXSKESA-N 2 1 237.372 1.527 20 0 BDADMP Cc1ncccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931437257 640202684 /nfs/dbraw/zinc/20/26/84/640202684.db2.gz NNHFHLRFNKEBDR-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931437257 640202689 /nfs/dbraw/zinc/20/26/89/640202689.db2.gz NNHFHLRFNKEBDR-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931437257 640202698 /nfs/dbraw/zinc/20/26/98/640202698.db2.gz NNHFHLRFNKEBDR-CABCVRRESA-N 2 1 245.370 1.774 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC3CC3)C[C@@H]2C1 ZINC000931442276 640204894 /nfs/dbraw/zinc/20/48/94/640204894.db2.gz AQSNYLDBMHLBAO-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC3CC3)C[C@@H]2C1 ZINC000931442276 640204904 /nfs/dbraw/zinc/20/49/04/640204904.db2.gz AQSNYLDBMHLBAO-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC3CC3)C[C@@H]2C1 ZINC000931442276 640204912 /nfs/dbraw/zinc/20/49/12/640204912.db2.gz AQSNYLDBMHLBAO-NEPJUHHUSA-N 2 1 224.348 1.049 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443216 640206623 /nfs/dbraw/zinc/20/66/23/640206623.db2.gz TWPLVNIHABEHHM-BFHYXJOUSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931443216 640206626 /nfs/dbraw/zinc/20/66/26/640206626.db2.gz TWPLVNIHABEHHM-BFHYXJOUSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931443216 640206630 /nfs/dbraw/zinc/20/66/30/640206630.db2.gz TWPLVNIHABEHHM-BFHYXJOUSA-N 2 1 240.391 1.277 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCOC(F)F)C[C@@H]2C1 ZINC000931441734 640208050 /nfs/dbraw/zinc/20/80/50/640208050.db2.gz OBWITJIAJNTGBO-ZJUUUORDSA-N 2 1 234.290 1.109 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCOC(F)F)C[C@@H]2C1 ZINC000931441734 640208056 /nfs/dbraw/zinc/20/80/56/640208056.db2.gz OBWITJIAJNTGBO-ZJUUUORDSA-N 2 1 234.290 1.109 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOC(F)F)C[C@@H]2C1 ZINC000931441734 640208058 /nfs/dbraw/zinc/20/80/58/640208058.db2.gz OBWITJIAJNTGBO-ZJUUUORDSA-N 2 1 234.290 1.109 20 0 BDADMP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)Cc2c[nH]nc21 ZINC000931462846 640224411 /nfs/dbraw/zinc/22/44/11/640224411.db2.gz SNLMXXWNRBWTRV-JTQLQIEISA-N 2 1 245.330 1.305 20 0 BDADMP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)Cc2c[nH]nc21 ZINC000931462846 640224418 /nfs/dbraw/zinc/22/44/18/640224418.db2.gz SNLMXXWNRBWTRV-JTQLQIEISA-N 2 1 245.330 1.305 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000932348976 640491833 /nfs/dbraw/zinc/49/18/33/640491833.db2.gz CWLZMKAEWZITGZ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000933734478 640761497 /nfs/dbraw/zinc/76/14/97/640761497.db2.gz TZTNIYBNPTYWQI-YNEHKIRRSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000933734478 640761502 /nfs/dbraw/zinc/76/15/02/640761502.db2.gz TZTNIYBNPTYWQI-YNEHKIRRSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000933734478 640761505 /nfs/dbraw/zinc/76/15/05/640761505.db2.gz TZTNIYBNPTYWQI-YNEHKIRRSA-N 2 1 226.364 1.295 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226422662 640762706 /nfs/dbraw/zinc/76/27/06/640762706.db2.gz UHJHQQPGXSMNLD-OLZOCXBDSA-N 2 1 228.380 1.598 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227424178 640833016 /nfs/dbraw/zinc/83/30/16/640833016.db2.gz TZPLNBZKGADAKJ-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227424178 640833021 /nfs/dbraw/zinc/83/30/21/640833021.db2.gz TZPLNBZKGADAKJ-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP C[N@H+](Cc1ccncc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862048 641101491 /nfs/dbraw/zinc/10/14/91/641101491.db2.gz RXKQGNZZLBNPAK-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@@H+](Cc1ccncc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862048 641101494 /nfs/dbraw/zinc/10/14/94/641101494.db2.gz RXKQGNZZLBNPAK-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190436 641142840 /nfs/dbraw/zinc/14/28/40/641142840.db2.gz BLVJJIQIMAPRCJ-RWMBFGLXSA-N 2 1 226.364 1.364 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190436 641142844 /nfs/dbraw/zinc/14/28/44/641142844.db2.gz BLVJJIQIMAPRCJ-RWMBFGLXSA-N 2 1 226.364 1.364 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148466 641250379 /nfs/dbraw/zinc/25/03/79/641250379.db2.gz SZVOCQACKZHWRI-KBPBESRZSA-N 2 1 240.391 1.469 20 0 BDADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC1CC1 ZINC000929698140 641405948 /nfs/dbraw/zinc/40/59/48/641405948.db2.gz ZBDDYKOEEFHGHD-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313009962 641525397 /nfs/dbraw/zinc/52/53/97/641525397.db2.gz SZRFUBPNDZCFPW-QWHCGFSZSA-N 2 1 240.391 1.731 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000042570133 641553584 /nfs/dbraw/zinc/55/35/84/641553584.db2.gz MKRKSJHGQATBGY-NWDGAFQWSA-N 2 1 216.369 1.467 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000188994510 641781880 /nfs/dbraw/zinc/78/18/80/641781880.db2.gz XSPQTMAILHMHON-GFCCVEGCSA-N 2 1 237.322 1.652 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000188994510 641781885 /nfs/dbraw/zinc/78/18/85/641781885.db2.gz XSPQTMAILHMHON-GFCCVEGCSA-N 2 1 237.322 1.652 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000076672422 641821272 /nfs/dbraw/zinc/82/12/72/641821272.db2.gz ZYCJPPGHCMBZHY-GFCCVEGCSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(C)OCCCO2)CCN1C ZINC000190648070 641878122 /nfs/dbraw/zinc/87/81/22/641878122.db2.gz CQFQQQRXKYFCSN-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(C)OCCCO2)CC[N@@H+]1C ZINC000190648070 641878125 /nfs/dbraw/zinc/87/81/25/641878125.db2.gz CQFQQQRXKYFCSN-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(C)OCCCO2)CC[N@H+]1C ZINC000190648070 641878129 /nfs/dbraw/zinc/87/81/29/641878129.db2.gz CQFQQQRXKYFCSN-NWDGAFQWSA-N 2 1 242.363 1.212 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000420371140 642722294 /nfs/dbraw/zinc/72/22/94/642722294.db2.gz KHJGXLCMJIXVSG-LBPRGKRZSA-N 2 1 236.363 1.209 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000068908859 642809141 /nfs/dbraw/zinc/80/91/41/642809141.db2.gz SAEXEZFDMFGBAC-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000068908859 642809146 /nfs/dbraw/zinc/80/91/46/642809146.db2.gz SAEXEZFDMFGBAC-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000070149745 642980173 /nfs/dbraw/zinc/98/01/73/642980173.db2.gz CMHMUPBKLNAGEE-HUUCEWRRSA-N 2 1 248.370 1.923 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000253207291 643184435 /nfs/dbraw/zinc/18/44/35/643184435.db2.gz HCKZWULLMOEZIX-ZIAGYGMSSA-N 2 1 248.370 1.982 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233912186 643347095 /nfs/dbraw/zinc/34/70/95/643347095.db2.gz GHJAJSHAPDNFJY-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000233912186 643347100 /nfs/dbraw/zinc/34/71/00/643347100.db2.gz GHJAJSHAPDNFJY-FVCCEPFGSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CCCOCC(F)(F)F ZINC000082595061 643351612 /nfs/dbraw/zinc/35/16/12/643351612.db2.gz HRCJFJOXFOVPLH-MRVPVSSYSA-N 2 1 228.258 1.234 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCOCC(F)(F)F ZINC000082595061 643351616 /nfs/dbraw/zinc/35/16/16/643351616.db2.gz HRCJFJOXFOVPLH-MRVPVSSYSA-N 2 1 228.258 1.234 20 0 BDADMP [NH3+]CCC[N@@H+]1CCc2c(F)cccc2C1 ZINC000082790886 643383003 /nfs/dbraw/zinc/38/30/03/643383003.db2.gz ZEJLKLLXDMAOOY-UHFFFAOYSA-N 2 1 208.280 1.533 20 0 BDADMP [NH3+]CCC[N@H+]1CCc2c(F)cccc2C1 ZINC000082790886 643383004 /nfs/dbraw/zinc/38/30/04/643383004.db2.gz ZEJLKLLXDMAOOY-UHFFFAOYSA-N 2 1 208.280 1.533 20 0 BDADMP C[C@H]1SCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000307508040 643489659 /nfs/dbraw/zinc/48/96/59/643489659.db2.gz ANTOKTNSQLIPMF-VLEAKVRGSA-N 2 1 214.378 1.611 20 0 BDADMP CCOCCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085869734 643627513 /nfs/dbraw/zinc/62/75/13/643627513.db2.gz PWUWSZBAVOIDEY-UHFFFAOYSA-N 2 1 214.353 1.615 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921629856 643634165 /nfs/dbraw/zinc/63/41/65/643634165.db2.gz YWLPMXMKIIRPFK-UHFFFAOYSA-N 2 1 232.287 1.082 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000050268396 643671672 /nfs/dbraw/zinc/67/16/72/643671672.db2.gz WWNBESDDZQMXLS-IHRRRGAJSA-N 2 1 236.359 1.896 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000050268396 643671675 /nfs/dbraw/zinc/67/16/75/643671675.db2.gz WWNBESDDZQMXLS-IHRRRGAJSA-N 2 1 236.359 1.896 20 0 BDADMP CC[C@H]1CO[C@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015080 643679372 /nfs/dbraw/zinc/67/93/72/643679372.db2.gz IJILCLZVDGZALN-NDBYEHHHSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000050368880 643691133 /nfs/dbraw/zinc/69/11/33/643691133.db2.gz PJTLKBWRJSPWTJ-NWDGAFQWSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000253236311 643816561 /nfs/dbraw/zinc/81/65/61/643816561.db2.gz NPILWZJRIFCJCP-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000086010121 643882063 /nfs/dbraw/zinc/88/20/63/643882063.db2.gz DCNNKDRYHHZHSO-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP CCO[C@@H](C[NH2+]C1CCSCC1)C[NH+](C)C ZINC000922759620 644088941 /nfs/dbraw/zinc/08/89/41/644088941.db2.gz INMYZPHYESGQHJ-LBPRGKRZSA-N 2 1 246.420 1.438 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@]2(C)CCCCO2)CC1 ZINC000922818067 644106736 /nfs/dbraw/zinc/10/67/36/644106736.db2.gz UDOOUYIYGHAZBQ-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1 ZINC000086495095 644141782 /nfs/dbraw/zinc/14/17/82/644141782.db2.gz XUAAZOFHEIXQLM-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000923280934 644313603 /nfs/dbraw/zinc/31/36/03/644313603.db2.gz KHKGPZYFMKSRQK-GXFFZTMASA-N 2 1 238.306 1.140 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923281918 644314173 /nfs/dbraw/zinc/31/41/73/644314173.db2.gz JJEZVCWWSNXJMG-UONOGXRCSA-N 2 1 242.407 1.988 20 0 BDADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000923281729 644315117 /nfs/dbraw/zinc/31/51/17/644315117.db2.gz ROZCHHSNIZDBPV-HIFRSBDPSA-N 2 1 248.370 1.699 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923280903 644315955 /nfs/dbraw/zinc/31/59/55/644315955.db2.gz JTCQATBAZRIOBN-NEPJUHHUSA-N 2 1 214.353 1.064 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000923288167 644320596 /nfs/dbraw/zinc/32/05/96/644320596.db2.gz HYRVTMWCNSAPAA-HZSPNIEDSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000923288167 644320600 /nfs/dbraw/zinc/32/06/00/644320600.db2.gz HYRVTMWCNSAPAA-HZSPNIEDSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923287388 644321460 /nfs/dbraw/zinc/32/14/60/644321460.db2.gz DROOUVPBZRZJJV-FRRDWIJNSA-N 2 1 228.380 1.453 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923291122 644327484 /nfs/dbraw/zinc/32/74/84/644327484.db2.gz BDQXTBUKHIJARQ-CABCVRRESA-N 2 1 248.370 1.403 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923291122 644327487 /nfs/dbraw/zinc/32/74/87/644327487.db2.gz BDQXTBUKHIJARQ-CABCVRRESA-N 2 1 248.370 1.403 20 0 BDADMP CC(C)OCC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294523 644333367 /nfs/dbraw/zinc/33/33/67/644333367.db2.gz MWYYCRJPWFTPOW-LBPRGKRZSA-N 2 1 246.395 1.079 20 0 BDADMP CCOCC[C@@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923296257 644335221 /nfs/dbraw/zinc/33/52/21/644335221.db2.gz DPGSWWHIONYWAR-OLZOCXBDSA-N 2 1 246.395 1.079 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307829 644338086 /nfs/dbraw/zinc/33/80/86/644338086.db2.gz WXMVJERVKQJWGU-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@]1(C)CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316604 644343521 /nfs/dbraw/zinc/34/35/21/644343521.db2.gz PLUCYOFRKZHKJA-CYDGBPFRSA-N 2 1 226.364 1.349 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923321650 644352470 /nfs/dbraw/zinc/35/24/70/644352470.db2.gz HLOQPJAFKIKTFG-LBPRGKRZSA-N 2 1 248.374 1.731 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923321650 644352473 /nfs/dbraw/zinc/35/24/73/644352473.db2.gz HLOQPJAFKIKTFG-LBPRGKRZSA-N 2 1 248.374 1.731 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923357942 644367597 /nfs/dbraw/zinc/36/75/97/644367597.db2.gz BMACFMBLMPQTSR-HZSPNIEDSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000923355219 644373364 /nfs/dbraw/zinc/37/33/64/644373364.db2.gz HVGVPKSIQWIMPU-CABCVRRESA-N 2 1 248.370 1.699 20 0 BDADMP CCOCCOCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923366968 644377113 /nfs/dbraw/zinc/37/71/13/644377113.db2.gz BRHBKGDLWTZIKB-NSHDSACASA-N 2 1 232.368 1.003 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H](O)CC1CCCC1 ZINC000923370714 644382340 /nfs/dbraw/zinc/38/23/40/644382340.db2.gz QJWFYNSOLVJKJP-CHWSQXEVSA-N 2 1 242.407 1.891 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CCC[NH2+]C2CC2)C[C@@H]1C ZINC000923373852 644390223 /nfs/dbraw/zinc/39/02/23/644390223.db2.gz UQMUCWUOQCTHSW-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H](O)c1ccc(C)cc1 ZINC000923380196 644393600 /nfs/dbraw/zinc/39/36/00/644393600.db2.gz WCRNKZDQWJMLEE-AWEZNQCLSA-N 2 1 236.359 1.570 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)c1ccc(C)cc1 ZINC000923380196 644393608 /nfs/dbraw/zinc/39/36/08/644393608.db2.gz WCRNKZDQWJMLEE-AWEZNQCLSA-N 2 1 236.359 1.570 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000083008675 644397676 /nfs/dbraw/zinc/39/76/76/644397676.db2.gz ILFWQEOMWNJZMT-CQSZACIVSA-N 2 1 218.344 1.900 20 0 BDADMP FC1(F)C[C@@]12CC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923392168 644398453 /nfs/dbraw/zinc/39/84/53/644398453.db2.gz HKWNRNZXOMOVNM-LLVKDONJSA-N 2 1 230.302 1.860 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923386172 644398658 /nfs/dbraw/zinc/39/86/58/644398658.db2.gz GCODKLOQNGWNCX-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CSC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000923385393 644400126 /nfs/dbraw/zinc/40/01/26/644400126.db2.gz APDOCBFYKHQBSB-TUAOUCFPSA-N 2 1 246.420 1.160 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923415890 644410031 /nfs/dbraw/zinc/41/00/31/644410031.db2.gz SDVPVGZCWWXWIN-JQWIXIFHSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000923410565 644410734 /nfs/dbraw/zinc/41/07/34/644410734.db2.gz IIMHALVLXLUJNJ-YUELXQCFSA-N 2 1 248.370 1.117 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923412004 644413352 /nfs/dbraw/zinc/41/33/52/644413352.db2.gz VONUYMRGNSZQCA-NWDGAFQWSA-N 2 1 216.369 1.597 20 0 BDADMP CCCCCC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923412004 644413355 /nfs/dbraw/zinc/41/33/55/644413355.db2.gz VONUYMRGNSZQCA-NWDGAFQWSA-N 2 1 216.369 1.597 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000923412794 644415159 /nfs/dbraw/zinc/41/51/59/644415159.db2.gz BLABINRVKKVNNM-NWDGAFQWSA-N 2 1 240.416 1.813 20 0 BDADMP Cc1ccc([C@H](O)C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000923413186 644416728 /nfs/dbraw/zinc/41/67/28/644416728.db2.gz UPKBSCVMWONHMW-AEGPPILISA-N 2 1 248.370 1.555 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000923426029 644419580 /nfs/dbraw/zinc/41/95/80/644419580.db2.gz BKZVXUPJCLADLO-JSGCOSHPSA-N 2 1 238.375 1.629 20 0 BDADMP OC[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923429091 644421725 /nfs/dbraw/zinc/42/17/25/644421725.db2.gz OZJDWDSAXUBWFV-WTUNAVPPSA-N 2 1 238.375 1.364 20 0 BDADMP Cc1noc([C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923486470 644456631 /nfs/dbraw/zinc/45/66/31/644456631.db2.gz QTMJMZRKKQWFCW-PSASIEDQSA-N 2 1 224.308 1.110 20 0 BDADMP Cc1noc([C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923486473 644457215 /nfs/dbraw/zinc/45/72/15/644457215.db2.gz QTMJMZRKKQWFCW-WPRPVWTQSA-N 2 1 224.308 1.110 20 0 BDADMP CN(C[C@@H]1CCC[N@H+]1C)C[C@@]1(C)CC[NH2+]C1 ZINC000086189443 644457951 /nfs/dbraw/zinc/45/79/51/644457951.db2.gz LCDOCJHWARELDQ-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482317 644458412 /nfs/dbraw/zinc/45/84/12/644458412.db2.gz DGYROTWYWBUDAC-CYBMUJFWSA-N 2 1 247.386 1.923 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481309 644458620 /nfs/dbraw/zinc/45/86/20/644458620.db2.gz ITLCSWKLZSHPTC-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480512 644459362 /nfs/dbraw/zinc/45/93/62/644459362.db2.gz IHRDCZSZQSWVLT-GFCCVEGCSA-N 3 1 213.369 1.176 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000923483536 644459831 /nfs/dbraw/zinc/45/98/31/644459831.db2.gz BQSOALZRIBUBBG-OLZOCXBDSA-N 3 1 225.380 1.047 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488445 644466365 /nfs/dbraw/zinc/46/63/65/644466365.db2.gz FVWKPQROCNVFCO-OLZOCXBDSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492300 644467186 /nfs/dbraw/zinc/46/71/86/644467186.db2.gz BMMOFGAZBAJHCY-UTUOFQBUSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CC[C@@H]1C[NH3+] ZINC000923491890 644467840 /nfs/dbraw/zinc/46/78/40/644467840.db2.gz UXTXOTGPMHTBJR-GMTAPVOTSA-N 2 1 248.317 1.327 20 0 BDADMP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CC[C@@H]1C[NH3+] ZINC000923491892 644468108 /nfs/dbraw/zinc/46/81/08/644468108.db2.gz UXTXOTGPMHTBJR-MXWKQRLJSA-N 2 1 248.317 1.327 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493716 644470260 /nfs/dbraw/zinc/47/02/60/644470260.db2.gz UMCLZBBCHLTLFW-GHMZBOCLSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493716 644470268 /nfs/dbraw/zinc/47/02/68/644470268.db2.gz UMCLZBBCHLTLFW-GHMZBOCLSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923494115 644471192 /nfs/dbraw/zinc/47/11/92/644471192.db2.gz KNMUQTVMMRAPSV-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)on1 ZINC000923499553 644472478 /nfs/dbraw/zinc/47/24/78/644472478.db2.gz SNCJDJOIQJKOHV-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP CCCCOC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500762 644473402 /nfs/dbraw/zinc/47/34/02/644473402.db2.gz OWZRCJPINMMOAC-NWDGAFQWSA-N 2 1 242.363 1.246 20 0 BDADMP CCCCOC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500762 644473405 /nfs/dbraw/zinc/47/34/05/644473405.db2.gz OWZRCJPINMMOAC-NWDGAFQWSA-N 2 1 242.363 1.246 20 0 BDADMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc1 ZINC000923517037 644480767 /nfs/dbraw/zinc/48/07/67/644480767.db2.gz DRDRJDWNAMZGIY-NWDGAFQWSA-N 2 1 217.316 1.123 20 0 BDADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc1 ZINC000923517037 644480769 /nfs/dbraw/zinc/48/07/69/644480769.db2.gz DRDRJDWNAMZGIY-NWDGAFQWSA-N 2 1 217.316 1.123 20 0 BDADMP C=C/C=C/CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516257 644480825 /nfs/dbraw/zinc/48/08/25/644480825.db2.gz WZXKPMBKLDKBAG-HORCIZIBSA-N 2 1 206.333 1.660 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515404 644481004 /nfs/dbraw/zinc/48/10/04/644481004.db2.gz GAXBKMBFUKHUKO-WDEREUQCSA-N 2 1 221.304 1.024 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515404 644481008 /nfs/dbraw/zinc/48/10/08/644481008.db2.gz GAXBKMBFUKHUKO-WDEREUQCSA-N 2 1 221.304 1.024 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518650 644483995 /nfs/dbraw/zinc/48/39/95/644483995.db2.gz YPXJQZWFLUFRAA-FPMFFAJLSA-N 2 1 231.343 1.684 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923531635 644486557 /nfs/dbraw/zinc/48/65/57/644486557.db2.gz UHTVCSQATCYPBE-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923531635 644486561 /nfs/dbraw/zinc/48/65/61/644486561.db2.gz UHTVCSQATCYPBE-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923530674 644487018 /nfs/dbraw/zinc/48/70/18/644487018.db2.gz MEGPTVPATUGLEN-BFHYXJOUSA-N 3 1 237.391 1.332 20 0 BDADMP [NH3+][C@@H]1CC[C@H](CN2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923530674 644487019 /nfs/dbraw/zinc/48/70/19/644487019.db2.gz MEGPTVPATUGLEN-BFHYXJOUSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531097 644488597 /nfs/dbraw/zinc/48/85/97/644488597.db2.gz PBENCFQMKDWYFP-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP CCN1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089145448 644535539 /nfs/dbraw/zinc/53/55/39/644535539.db2.gz NRRQAJIYAFLUQJ-JSGCOSHPSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](C)N(C)C ZINC000093515894 644692057 /nfs/dbraw/zinc/69/20/57/644692057.db2.gz LPMAQGBRHRTDQK-MCIONIFRSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251036595 644790099 /nfs/dbraw/zinc/79/00/99/644790099.db2.gz BLVJJIQIMAPRCJ-YNEHKIRRSA-N 2 1 226.364 1.364 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251036595 644790101 /nfs/dbraw/zinc/79/01/01/644790101.db2.gz BLVJJIQIMAPRCJ-YNEHKIRRSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000252513261 644861096 /nfs/dbraw/zinc/86/10/96/644861096.db2.gz PBSDDVIJXPVDDP-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000252513261 644861100 /nfs/dbraw/zinc/86/11/00/644861100.db2.gz PBSDDVIJXPVDDP-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415135152 644885789 /nfs/dbraw/zinc/88/57/89/644885789.db2.gz FOLHXAAVWUTHCG-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415135152 644885795 /nfs/dbraw/zinc/88/57/95/644885795.db2.gz FOLHXAAVWUTHCG-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[S@](=O)CC)[C@@H](C)C1 ZINC000252711588 644888264 /nfs/dbraw/zinc/88/82/64/644888264.db2.gz JZSUWLASCDORPU-MQIPJXDCSA-N 2 1 246.420 1.075 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[S@](=O)CC)[C@@H](C)C1 ZINC000252711588 644888269 /nfs/dbraw/zinc/88/82/69/644888269.db2.gz JZSUWLASCDORPU-MQIPJXDCSA-N 2 1 246.420 1.075 20 0 BDADMP Cn1ccnc1[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000843389746 645289485 /nfs/dbraw/zinc/28/94/85/645289485.db2.gz QHQPPPPIPXAHRJ-CHWSQXEVSA-N 2 1 248.374 1.209 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC1(C)C ZINC000926580285 645300643 /nfs/dbraw/zinc/30/06/43/645300643.db2.gz NXHIREUAIMEIPB-PSIUFMSWSA-N 2 1 208.349 1.715 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1COC[C@@H]1C ZINC000926644649 645330737 /nfs/dbraw/zinc/33/07/37/645330737.db2.gz IAIJHHBJMKQQJP-QWHCGFSZSA-N 2 1 228.380 1.589 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCOC(F)F)CC[N@@H+]1C ZINC000851796640 645468485 /nfs/dbraw/zinc/46/84/85/645468485.db2.gz IABZCVHJLMTXNJ-VHSXEESVSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CCOC(F)F)CC[N@H+]1C ZINC000851796640 645468488 /nfs/dbraw/zinc/46/84/88/645468488.db2.gz IABZCVHJLMTXNJ-VHSXEESVSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CCOC(F)F)CC[NH+]1C ZINC000851796640 645468492 /nfs/dbraw/zinc/46/84/92/645468492.db2.gz IABZCVHJLMTXNJ-VHSXEESVSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCOC(F)F)CC[NH+]1C ZINC000851796640 645468494 /nfs/dbraw/zinc/46/84/94/645468494.db2.gz IABZCVHJLMTXNJ-VHSXEESVSA-N 2 1 236.306 1.640 20 0 BDADMP CCO[C@H](C[NH2+]C1CC(SC)C1)C[NH+](C)C ZINC000926959533 645502773 /nfs/dbraw/zinc/50/27/73/645502773.db2.gz JPWJGWHMNNDVLB-MOENNCHZSA-N 2 1 246.420 1.437 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000927030006 645529264 /nfs/dbraw/zinc/52/92/64/645529264.db2.gz VQTJDVGHBVUJOW-XQQFMLRXSA-N 2 1 228.380 1.610 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000925482364 645866106 /nfs/dbraw/zinc/86/61/06/645866106.db2.gz QVOXABCZBOCKQS-QWRGUYRKSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+](C)C1CC1 ZINC000221887688 645894340 /nfs/dbraw/zinc/89/43/40/645894340.db2.gz WYWGMKXUDREOBH-VIFPVBQESA-N 2 1 226.368 1.382 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000223729244 645902127 /nfs/dbraw/zinc/90/21/27/645902127.db2.gz KBAPCZLUZXITHJ-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@H](CO)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929289825 646065380 /nfs/dbraw/zinc/06/53/80/646065380.db2.gz ZWWMVJUCVAJVDB-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C(C)(C)CO ZINC000924578187 646072032 /nfs/dbraw/zinc/07/20/32/646072032.db2.gz OVEJOCHMZMLPPK-GFCCVEGCSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1CC2(CC([NH2+]C3CC[NH+](C)CC3)C2)CO1 ZINC000924575852 646073053 /nfs/dbraw/zinc/07/30/53/646073053.db2.gz ORNRQSKQPLMXLR-LMWSTFAQSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccnnc1 ZINC000924648595 646087077 /nfs/dbraw/zinc/08/70/77/646087077.db2.gz MFVAUZWVLVHGHH-NEPJUHHUSA-N 2 1 246.358 1.612 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccnnc1 ZINC000924648595 646087083 /nfs/dbraw/zinc/08/70/83/646087083.db2.gz MFVAUZWVLVHGHH-NEPJUHHUSA-N 2 1 246.358 1.612 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCOC1 ZINC000924726212 646098476 /nfs/dbraw/zinc/09/84/76/646098476.db2.gz LUBKZDNNMLBDTD-HABKJSAYSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccoc1 ZINC000924748224 646100840 /nfs/dbraw/zinc/10/08/40/646100840.db2.gz NQZLOWQZFZCEEH-FUNVUKJBSA-N 2 1 220.316 1.709 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924755827 646102876 /nfs/dbraw/zinc/10/28/76/646102876.db2.gz XKCSKRVWFZTUCZ-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924874194 646123102 /nfs/dbraw/zinc/12/31/02/646123102.db2.gz QFOBQGILJKZPEE-LMWSTFAQSA-N 2 1 249.358 1.739 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924915252 646133119 /nfs/dbraw/zinc/13/31/19/646133119.db2.gz FIQVGIXYNVDGNZ-RQJABVFESA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924915252 646133123 /nfs/dbraw/zinc/13/31/23/646133123.db2.gz FIQVGIXYNVDGNZ-RQJABVFESA-N 2 1 242.407 1.977 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccnnc1 ZINC000925219110 646212464 /nfs/dbraw/zinc/21/24/64/646212464.db2.gz BVSJVTLZLBVXIJ-UBHSHLNASA-N 2 1 248.374 2.000 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637123 646213836 /nfs/dbraw/zinc/21/38/36/646213836.db2.gz DGITWBJGVRPMEE-UPJWGTAASA-N 2 1 210.365 1.916 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925471877 646289095 /nfs/dbraw/zinc/28/90/95/646289095.db2.gz BLZOWIMTOAWLKU-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC1 ZINC000925480582 646293320 /nfs/dbraw/zinc/29/33/20/646293320.db2.gz MPZXAAWZAOXGIW-FUNVUKJBSA-N 2 1 208.349 1.716 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)CC1 ZINC000925491851 646298808 /nfs/dbraw/zinc/29/88/08/646298808.db2.gz WFFBFPSFEGFKTB-FOSCPWQOSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)N(C)C ZINC000925490379 646299038 /nfs/dbraw/zinc/29/90/38/646299038.db2.gz BCOWEVCLYDDMBI-IJLUTSLNSA-N 2 1 227.396 1.432 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925510340 646308733 /nfs/dbraw/zinc/30/87/33/646308733.db2.gz UZNVRUWGBQKIGY-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2(C)C)CC[N@H+]1C ZINC000925519597 646312485 /nfs/dbraw/zinc/31/24/85/646312485.db2.gz UVGZGFQSKJZRTO-IJLUTSLNSA-N 2 1 225.380 1.199 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925527904 646316680 /nfs/dbraw/zinc/31/66/80/646316680.db2.gz AXSREPSCFIZALH-GFCCVEGCSA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000925530382 646318988 /nfs/dbraw/zinc/31/89/88/646318988.db2.gz KDYOLGLKICUNDP-XUXIUFHCSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccncc1 ZINC000925542715 646323739 /nfs/dbraw/zinc/32/37/39/646323739.db2.gz OKZYSEYARVJINX-WCQYABFASA-N 2 1 233.359 1.915 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CCCOC1 ZINC000925547315 646326642 /nfs/dbraw/zinc/32/66/42/646326642.db2.gz BKONEUOSJZVNAF-NWDGAFQWSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925550946 646329368 /nfs/dbraw/zinc/32/93/68/646329368.db2.gz VDUVHRCZCJRHOE-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925554990 646331967 /nfs/dbraw/zinc/33/19/67/646331967.db2.gz CLPCCPKWLVPCTR-LBPRGKRZSA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925557252 646332856 /nfs/dbraw/zinc/33/28/56/646332856.db2.gz NCCDDPKJHUSWNB-OLZOCXBDSA-N 2 1 239.407 1.576 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000925563112 646336023 /nfs/dbraw/zinc/33/60/23/646336023.db2.gz RMZCQNBRZZBIHG-AVGNSLFASA-N 2 1 237.391 1.343 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925573822 646341602 /nfs/dbraw/zinc/34/16/02/646341602.db2.gz PXPXKNBLAQPMIG-CHWSQXEVSA-N 2 1 239.407 1.591 20 0 BDADMP CS[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925587499 646349402 /nfs/dbraw/zinc/34/94/02/646349402.db2.gz NYWKOQJJUPGSOY-VHSXEESVSA-N 2 1 214.378 1.612 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925624786 646370455 /nfs/dbraw/zinc/37/04/55/646370455.db2.gz CDKNIHNGWMTJQP-LLVKDONJSA-N 2 1 228.380 1.515 20 0 BDADMP Cc1cnccc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925626072 646371091 /nfs/dbraw/zinc/37/10/91/646371091.db2.gz NMBCODXYQBYTON-AWEZNQCLSA-N 2 1 245.370 1.807 20 0 BDADMP C[N@@H+]1CC=C(CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925634415 646377738 /nfs/dbraw/zinc/37/77/38/646377738.db2.gz IJDKGMFHAGPUHY-CYBMUJFWSA-N 2 1 235.375 1.123 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925634415 646377742 /nfs/dbraw/zinc/37/77/42/646377742.db2.gz IJDKGMFHAGPUHY-CYBMUJFWSA-N 3 1 235.375 1.123 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925634415 646377745 /nfs/dbraw/zinc/37/77/45/646377745.db2.gz IJDKGMFHAGPUHY-CYBMUJFWSA-N 3 1 235.375 1.123 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925633058 646378178 /nfs/dbraw/zinc/37/81/78/646378178.db2.gz CCOXESYDMVVGKP-XQQFMLRXSA-N 2 1 240.391 1.514 20 0 BDADMP C[C@@H](CO)CCC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000925639008 646382243 /nfs/dbraw/zinc/38/22/43/646382243.db2.gz INZRCMYQRHOQTL-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H](CO)CCC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000925639008 646382249 /nfs/dbraw/zinc/38/22/49/646382249.db2.gz INZRCMYQRHOQTL-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP OCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925640930 646383399 /nfs/dbraw/zinc/38/33/99/646383399.db2.gz KRBCOOXUGKANIT-LBPRGKRZSA-N 2 1 238.375 1.413 20 0 BDADMP CCOC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925649636 646389862 /nfs/dbraw/zinc/38/98/62/646389862.db2.gz MOYWBMGRQBUEGD-STQMWFEESA-N 2 1 240.391 1.922 20 0 BDADMP CCOC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925649635 646390264 /nfs/dbraw/zinc/39/02/64/646390264.db2.gz MOYWBMGRQBUEGD-QWHCGFSZSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC1CC(O)C1)c1ccccc1 ZINC000925652255 646390325 /nfs/dbraw/zinc/39/03/25/646390325.db2.gz PBNIWTRHWOKGNC-TYVCDUJCSA-N 2 1 248.370 1.826 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925692045 646418023 /nfs/dbraw/zinc/41/80/23/646418023.db2.gz YRSUAYZKIGGSLK-UHTWSYAYSA-N 2 1 238.375 1.674 20 0 BDADMP C1[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C12CC[NH2+]CC2 ZINC000925702520 646426695 /nfs/dbraw/zinc/42/66/95/646426695.db2.gz BABPBEPYHHKPQR-NWDGAFQWSA-N 3 1 235.375 1.003 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000925706607 646430347 /nfs/dbraw/zinc/43/03/47/646430347.db2.gz NJNQHBRVRMBSFT-DGCLKSJQSA-N 3 1 239.407 1.624 20 0 BDADMP C(CN[C@@H]1CC[NH2+]C12CCC2)C[C@H]1CCC[NH2+]1 ZINC000925710711 646434239 /nfs/dbraw/zinc/43/42/39/646434239.db2.gz QRBNPCFDQLESOH-CHWSQXEVSA-N 2 1 237.391 1.393 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925712489 646436238 /nfs/dbraw/zinc/43/62/38/646436238.db2.gz HBLLKBCSHWTLRL-OCCSQVGLSA-N 2 1 245.370 1.887 20 0 BDADMP NC1(C[NH2+]C2[C@@H]3CC[C@H]2CC([NH3+])C3)CCCC1 ZINC000925712170 646437492 /nfs/dbraw/zinc/43/74/92/646437492.db2.gz PQTWEBVZRNHZDA-MPEURRAXSA-N 2 1 237.391 1.363 20 0 BDADMP C[C@@H](CCCC[NH3+])N[C@H]1CC[NH2+]C1(C)C ZINC000925713350 646439556 /nfs/dbraw/zinc/43/95/56/646439556.db2.gz XQELUTAIZOIEOM-QWRGUYRKSA-N 2 1 213.369 1.234 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716634 646440620 /nfs/dbraw/zinc/44/06/20/646440620.db2.gz BHGURRQVCOASRR-XQQFMLRXSA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716634 646440624 /nfs/dbraw/zinc/44/06/24/646440624.db2.gz BHGURRQVCOASRR-XQQFMLRXSA-N 2 1 239.407 1.576 20 0 BDADMP [NH3+]C[C@H]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925726610 646451269 /nfs/dbraw/zinc/45/12/69/646451269.db2.gz URWNAXHJPDWMLU-AVGNSLFASA-N 2 1 237.391 1.378 20 0 BDADMP N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925726181 646451836 /nfs/dbraw/zinc/45/18/36/646451836.db2.gz FVCHYRRDXDVTNL-NDKCEZKHSA-N 2 1 249.402 1.377 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cc2n(n1)CCC2 ZINC000925736852 646460382 /nfs/dbraw/zinc/46/03/82/646460382.db2.gz DJEJPTLDCSWYHF-SNVBAGLBSA-N 2 1 236.363 1.607 20 0 BDADMP CO[C@H]1C[C@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000925736365 646460703 /nfs/dbraw/zinc/46/07/03/646460703.db2.gz MKCHSFJZZZIFBB-GMTAPVOTSA-N 2 1 235.331 1.570 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cnccc1N ZINC000925737366 646461052 /nfs/dbraw/zinc/46/10/52/646461052.db2.gz NKLBITFVIHEWQO-SECBINFHSA-N 3 1 222.336 1.272 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925739080 646462893 /nfs/dbraw/zinc/46/28/93/646462893.db2.gz ZVTLAQOOFQTNGZ-GHMZBOCLSA-N 3 1 213.369 1.092 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cc(N)ccn2)C1 ZINC000925768095 646468205 /nfs/dbraw/zinc/46/82/05/646468205.db2.gz SKFHIQPGRJKLOY-RYUDHWBXSA-N 2 1 248.374 1.659 20 0 BDADMP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925787299 646483342 /nfs/dbraw/zinc/48/33/42/646483342.db2.gz YEKVJTCBZGIIKE-JLLWLGSASA-N 2 1 234.347 1.291 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925797729 646487185 /nfs/dbraw/zinc/48/71/85/646487185.db2.gz VLFWQGMWNOJRAW-NDBYEHHHSA-N 2 1 237.391 1.092 20 0 BDADMP CSC1CC([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000925810456 646490619 /nfs/dbraw/zinc/49/06/19/646490619.db2.gz AJLJBOVVASNNJI-KPPDAEKUSA-N 2 1 237.372 1.682 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925815691 646491877 /nfs/dbraw/zinc/49/18/77/646491877.db2.gz YNRUNZMHOSAINK-GRYCIOLGSA-N 2 1 235.331 1.213 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925822212 646494937 /nfs/dbraw/zinc/49/49/37/646494937.db2.gz JZUGKRPJMNPRGG-RBBWPXTMSA-N 2 1 208.349 1.761 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925837867 646504919 /nfs/dbraw/zinc/50/49/19/646504919.db2.gz INQYGXPVAWFFPJ-XJFOESAGSA-N 3 1 237.391 1.378 20 0 BDADMP CC(C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925844864 646506219 /nfs/dbraw/zinc/50/62/19/646506219.db2.gz NCUQLIYKFYSRCF-UHFFFAOYSA-N 2 1 213.369 1.060 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841133 646506929 /nfs/dbraw/zinc/50/69/29/646506929.db2.gz FIRDCNXLOSCPLB-XJFOESAGSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841133 646506934 /nfs/dbraw/zinc/50/69/34/646506934.db2.gz FIRDCNXLOSCPLB-XJFOESAGSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000925841839 646508658 /nfs/dbraw/zinc/50/86/58/646508658.db2.gz URMSMMBMYJOAQQ-AAVRWANBSA-N 3 1 237.391 1.106 20 0 BDADMP CC(C)[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925849823 646509672 /nfs/dbraw/zinc/50/96/72/646509672.db2.gz QNINLCSOSFFTIH-CQSZACIVSA-N 2 1 241.423 1.696 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000925857529 646510639 /nfs/dbraw/zinc/51/06/39/646510639.db2.gz MLVATSKNOVMICF-FRRDWIJNSA-N 2 1 228.380 1.658 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000925880106 646529138 /nfs/dbraw/zinc/52/91/38/646529138.db2.gz ODKNLYZSTGQSKN-NDBYEHHHSA-N 2 1 225.380 1.234 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)CCC1 ZINC000926142016 646583347 /nfs/dbraw/zinc/58/33/47/646583347.db2.gz HRGYZYGJWGGCNN-FUNVUKJBSA-N 2 1 238.375 1.079 20 0 BDADMP OCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925528361 711697357 /nfs/dbraw/zinc/69/73/57/711697357.db2.gz DPPYDLCUCPKPCU-NSHDSACASA-N 2 1 224.348 1.023 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000396673829 711703167 /nfs/dbraw/zinc/70/31/67/711703167.db2.gz RUFXYNQVYRTBOD-QJPTWQEYSA-N 2 1 228.405 1.860 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000721918351 711919674 /nfs/dbraw/zinc/91/96/74/711919674.db2.gz FIBPLKIQCZDVDB-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2CC[NH3+])C1 ZINC000721926344 711937666 /nfs/dbraw/zinc/93/76/66/711937666.db2.gz DUSNMVFBTZVMPV-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000721959070 711948151 /nfs/dbraw/zinc/94/81/51/711948151.db2.gz DVWSGUXTMKOSGO-ZUWCUPBKSA-N 2 1 240.391 1.717 20 0 BDADMP COC1CC(C[NH2+][C@](C)(C[NH3+])C(C)C)C1 ZINC000703447405 712076148 /nfs/dbraw/zinc/07/61/48/712076148.db2.gz WWRLCHHCMPABSE-HTAVTVPLSA-N 2 1 214.353 1.374 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000703855591 712091042 /nfs/dbraw/zinc/09/10/42/712091042.db2.gz VQDLSSMZUJPJGR-GMKTYKIGSA-N 2 1 226.364 1.328 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C)(O)CC1 ZINC000705445084 712131242 /nfs/dbraw/zinc/13/12/42/712131242.db2.gz PKNHJEPWSFTFLL-IYXRBSQSSA-N 2 1 242.407 2.000 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C)(O)CC1 ZINC000705445084 712131244 /nfs/dbraw/zinc/13/12/44/712131244.db2.gz PKNHJEPWSFTFLL-IYXRBSQSSA-N 2 1 242.407 2.000 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000707522778 712171852 /nfs/dbraw/zinc/17/18/52/712171852.db2.gz JDJHQWKCBLLHKC-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)sn1 ZINC000708855500 712201506 /nfs/dbraw/zinc/20/15/06/712201506.db2.gz URXXKDOHXKBGJQ-RKDXNWHRSA-N 2 1 241.360 1.178 20 0 BDADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)sn1 ZINC000708855500 712201509 /nfs/dbraw/zinc/20/15/09/712201509.db2.gz URXXKDOHXKBGJQ-RKDXNWHRSA-N 2 1 241.360 1.178 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000708949959 712203611 /nfs/dbraw/zinc/20/36/11/712203611.db2.gz FJHCQUONPSERIT-CYBMUJFWSA-N 2 1 228.380 1.862 20 0 BDADMP c1csc([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000710362980 712253175 /nfs/dbraw/zinc/25/31/75/712253175.db2.gz YPSPHOSESLFLFC-QWRGUYRKSA-N 2 1 237.372 1.542 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@@H]2CCC2(OC)OC)C1 ZINC000710959212 712268445 /nfs/dbraw/zinc/26/84/45/712268445.db2.gz LFSMURHBGHCLEN-NWDGAFQWSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC2(OC)OC)C1 ZINC000710959212 712268446 /nfs/dbraw/zinc/26/84/46/712268446.db2.gz LFSMURHBGHCLEN-NWDGAFQWSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC2(OC)OC)C1 ZINC000710959212 712268448 /nfs/dbraw/zinc/26/84/48/712268448.db2.gz LFSMURHBGHCLEN-NWDGAFQWSA-N 2 1 242.363 1.069 20 0 BDADMP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CCCCCC[NH3+] ZINC000923434915 712322099 /nfs/dbraw/zinc/32/20/99/712322099.db2.gz CJIAHTVVLPEDHP-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCCCCC[NH3+] ZINC000923434915 712322101 /nfs/dbraw/zinc/32/21/01/712322101.db2.gz CJIAHTVVLPEDHP-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CC[C@H]1CC[NH2+]C1 ZINC000923435144 712322496 /nfs/dbraw/zinc/32/24/96/712322496.db2.gz DRELJIDAVBFNOJ-ZDEQEGDKSA-N 2 1 225.380 1.057 20 0 BDADMP C[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCSC1 ZINC000379537406 712387531 /nfs/dbraw/zinc/38/75/31/712387531.db2.gz MIHFUHMGLSSORG-JGVFFNPUSA-N 2 1 224.320 1.406 20 0 BDADMP C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1CCSC1 ZINC000379537406 712387534 /nfs/dbraw/zinc/38/75/34/712387534.db2.gz MIHFUHMGLSSORG-JGVFFNPUSA-N 2 1 224.320 1.406 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1C[NH3+] ZINC000714321648 712482036 /nfs/dbraw/zinc/48/20/36/712482036.db2.gz VQDHJQSIGJEILB-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000714995653 712503608 /nfs/dbraw/zinc/50/36/08/712503608.db2.gz RHUJOMSOZLRKMA-KBPBESRZSA-N 2 1 240.391 1.613 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000714995653 712503609 /nfs/dbraw/zinc/50/36/09/712503609.db2.gz RHUJOMSOZLRKMA-KBPBESRZSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000715499736 712523787 /nfs/dbraw/zinc/52/37/87/712523787.db2.gz HOEGLEUVXIZTBW-MELADBBJSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000715499736 712523789 /nfs/dbraw/zinc/52/37/89/712523789.db2.gz HOEGLEUVXIZTBW-MELADBBJSA-N 2 1 238.375 1.613 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccns1 ZINC000715994435 712551333 /nfs/dbraw/zinc/55/13/33/712551333.db2.gz ZKGXVPWZDAIPGB-SECBINFHSA-N 2 1 236.344 1.999 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C1(C2CC2)CCC1)C1CC1 ZINC000717820563 712681400 /nfs/dbraw/zinc/68/14/00/712681400.db2.gz WRGOPGFOGQOSPN-ZDUSSCGKSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(C2CC2)CCC1)C1CC1 ZINC000717820563 712681402 /nfs/dbraw/zinc/68/14/02/712681402.db2.gz WRGOPGFOGQOSPN-ZDUSSCGKSA-N 2 1 238.375 1.364 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CSCCS2)CC1 ZINC000157167622 712722050 /nfs/dbraw/zinc/72/20/50/712722050.db2.gz RORSSJKNEUPQBC-LLVKDONJSA-N 2 1 246.445 1.519 20 0 BDADMP C[C@@H]([NH2+]CCC[NH3+])c1c(F)cccc1F ZINC000037713192 712745141 /nfs/dbraw/zinc/74/51/41/712745141.db2.gz OLCQSFUCJXDFRQ-MRVPVSSYSA-N 2 1 214.259 1.964 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000719667329 712817979 /nfs/dbraw/zinc/81/79/79/712817979.db2.gz KWWCWQHQMALNJF-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000720184364 712828777 /nfs/dbraw/zinc/82/87/77/712828777.db2.gz KTLPDJWUZCJOTD-NEPJUHHUSA-N 2 1 246.395 1.091 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@@H](O)CN1CCCC1 ZINC000381270063 710615215 /nfs/dbraw/zinc/61/52/15/710615215.db2.gz VGTHEOFTZROOPF-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000381270063 710615218 /nfs/dbraw/zinc/61/52/18/710615218.db2.gz VGTHEOFTZROOPF-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000381270063 710615222 /nfs/dbraw/zinc/61/52/22/710615222.db2.gz VGTHEOFTZROOPF-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)C1CC1 ZINC000381326869 710622902 /nfs/dbraw/zinc/62/29/02/710622902.db2.gz RJOCASQQZIZWDB-QWHCGFSZSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000381429138 710635203 /nfs/dbraw/zinc/63/52/03/710635203.db2.gz AXONPQBPSJBEQI-TYUFSLCMSA-N 2 1 226.364 1.077 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C(C)(C)O)C2)CC1 ZINC000721772822 710685778 /nfs/dbraw/zinc/68/57/78/710685778.db2.gz NNCQXNZHRHLQMJ-ZDUSSCGKSA-N 2 1 240.391 1.421 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])C1 ZINC000721962813 710694190 /nfs/dbraw/zinc/69/41/90/710694190.db2.gz OTXNXOXRTOGFQK-FQUUOJAGSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](COC)C(C)C)C1 ZINC000721963002 710694552 /nfs/dbraw/zinc/69/45/52/710694552.db2.gz QROWBGUKUISCNM-KBPBESRZSA-N 2 1 242.407 1.836 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])C1 ZINC000721962818 710694588 /nfs/dbraw/zinc/69/45/88/710694588.db2.gz OTXNXOXRTOGFQK-MQYQWHSLSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380462060 712901046 /nfs/dbraw/zinc/90/10/46/712901046.db2.gz JMCQHECZJZRISC-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380462060 712901047 /nfs/dbraw/zinc/90/10/47/712901047.db2.gz JMCQHECZJZRISC-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)([NH3+])CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000383851423 710965471 /nfs/dbraw/zinc/96/54/71/710965471.db2.gz MDFVSRIKMWJXDD-UHFFFAOYSA-N 3 1 241.423 1.966 20 0 BDADMP CC(C)OC[C@@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133513214 710970481 /nfs/dbraw/zinc/97/04/81/710970481.db2.gz COQROLKSQMNNLO-QWHCGFSZSA-N 2 1 246.395 1.078 20 0 BDADMP C[C@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382954678 710976440 /nfs/dbraw/zinc/97/64/40/710976440.db2.gz ZJXWDNIKPCTPRC-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]1CCCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382954678 710976443 /nfs/dbraw/zinc/97/64/43/710976443.db2.gz ZJXWDNIKPCTPRC-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CCC[N@@H+](CCCCCC[NH3+])CC(=O)N(C)C ZINC000383673705 710985545 /nfs/dbraw/zinc/98/55/45/710985545.db2.gz MQIKRGXYUWBIAS-UHFFFAOYSA-N 2 1 243.395 1.306 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000384165378 710989991 /nfs/dbraw/zinc/98/99/91/710989991.db2.gz RBZOEXFVHLZMBI-QNWHQSFQSA-N 2 1 210.365 1.962 20 0 BDADMP C[N@H+](C[C@H](O)CC1CCCC1)C1(C[NH3+])CCC1 ZINC000385131724 711005664 /nfs/dbraw/zinc/00/56/64/711005664.db2.gz AICFPHQRPVJNEZ-CYBMUJFWSA-N 2 1 240.391 1.741 20 0 BDADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)O ZINC000386796076 711037169 /nfs/dbraw/zinc/03/71/69/711037169.db2.gz PFZSUTHMTQJBBA-XYTAGDGMSA-N 2 1 226.364 1.361 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000389318041 711076222 /nfs/dbraw/zinc/07/62/22/711076222.db2.gz FYUIADDGOZUIBG-WZRBSPASSA-N 2 1 208.349 1.859 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCC(C)(F)F)C1 ZINC000390019673 711104561 /nfs/dbraw/zinc/10/45/61/711104561.db2.gz CMGMPVDEAYUREM-JTQLQIEISA-N 2 1 220.307 1.963 20 0 BDADMP c1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)nc1 ZINC000392897052 711153122 /nfs/dbraw/zinc/15/31/22/711153122.db2.gz XYVPRQVJKQZHHY-WPTOEGHWSA-N 2 1 243.354 1.210 20 0 BDADMP CSCCC[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000393655283 711167964 /nfs/dbraw/zinc/16/79/64/711167964.db2.gz HDABKGNTDWVASR-MRVPVSSYSA-N 2 1 226.336 1.654 20 0 BDADMP CSCCC[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000393655283 711167971 /nfs/dbraw/zinc/16/79/71/711167971.db2.gz HDABKGNTDWVASR-MRVPVSSYSA-N 2 1 226.336 1.654 20 0 BDADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)O ZINC000394013835 711181128 /nfs/dbraw/zinc/18/11/28/711181128.db2.gz DEBNBHMGOZQSTA-PSEXLTFBSA-N 2 1 240.391 1.751 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396612575 711361272 /nfs/dbraw/zinc/36/12/72/711361272.db2.gz KMSDKXYALRYIOI-QWHCGFSZSA-N 2 1 227.396 1.447 20 0 BDADMP CSCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396545382 711353841 /nfs/dbraw/zinc/35/38/41/711353841.db2.gz DPPICZYYTSIWLM-NXEZZACHSA-N 2 1 202.367 1.470 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)OC ZINC000396724010 711364596 /nfs/dbraw/zinc/36/45/96/711364596.db2.gz VBIYEYQZLVQXMJ-LOWDOPEQSA-N 2 1 228.380 1.778 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396678045 711365184 /nfs/dbraw/zinc/36/51/84/711365184.db2.gz USEKGHZMXKFUCG-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000396734472 711366626 /nfs/dbraw/zinc/36/66/26/711366626.db2.gz ZQLIXACDPNGCGX-RYUDHWBXSA-N 2 1 228.380 1.515 20 0 BDADMP C[C@@H]1C[N@H+](CCCOC(F)(F)F)CC[C@@H]1[NH3+] ZINC000398135475 711402086 /nfs/dbraw/zinc/40/20/86/711402086.db2.gz ALFSLIDLJZRPJW-BDAKNGLRSA-N 2 1 240.269 1.582 20 0 BDADMP C[C@@H]1C[N@@H+](CCCOC(F)(F)F)CC[C@@H]1[NH3+] ZINC000398135475 711402087 /nfs/dbraw/zinc/40/20/87/711402087.db2.gz ALFSLIDLJZRPJW-BDAKNGLRSA-N 2 1 240.269 1.582 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000398144689 711403087 /nfs/dbraw/zinc/40/30/87/711403087.db2.gz XGAVMIMGVPEBHL-QWHCGFSZSA-N 2 1 226.364 1.533 20 0 BDADMP COCCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396640042 711363585 /nfs/dbraw/zinc/36/35/85/711363585.db2.gz MNBJAVMYQDDDNR-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP CC(C)OCCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396677137 711365337 /nfs/dbraw/zinc/36/53/37/711365337.db2.gz UECWTRKXNORIQB-STQMWFEESA-N 2 1 228.380 1.922 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396721260 711365821 /nfs/dbraw/zinc/36/58/21/711365821.db2.gz WCJRNYYIMHYJLW-WFASDCNBSA-N 2 1 248.370 1.968 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396699808 711367319 /nfs/dbraw/zinc/36/73/19/711367319.db2.gz MYMYYPMQVQESRX-GRYCIOLGSA-N 2 1 214.353 1.124 20 0 BDADMP COc1ccccc1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396701360 711367346 /nfs/dbraw/zinc/36/73/46/711367346.db2.gz NDCNKVQGBNTBAB-GXTWGEPZSA-N 2 1 248.370 1.968 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396699812 711367371 /nfs/dbraw/zinc/36/73/71/711367371.db2.gz MYMYYPMQVQESRX-WOPDTQHZSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000396732382 711369083 /nfs/dbraw/zinc/36/90/83/711369083.db2.gz ZJQIUIFNHDEJAT-RYUDHWBXSA-N 2 1 222.336 1.003 20 0 BDADMP C[C@@H](CC[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000049553760 711448625 /nfs/dbraw/zinc/44/86/25/711448625.db2.gz SFMJOVIFWVYAPD-FUDCBSFHSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H](CC[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000049553761 711448694 /nfs/dbraw/zinc/44/86/94/711448694.db2.gz SFMJOVIFWVYAPD-RLAWYHOSSA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723626648 711526466 /nfs/dbraw/zinc/52/64/66/711526466.db2.gz CFIAJVIQEIOQRL-DDHJBXDOSA-N 2 1 212.337 1.128 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000723633835 711527859 /nfs/dbraw/zinc/52/78/59/711527859.db2.gz MGRLKPFBLVXKIA-JOYOIKCWSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000723633835 711527862 /nfs/dbraw/zinc/52/78/62/711527862.db2.gz MGRLKPFBLVXKIA-JOYOIKCWSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000723642462 711529592 /nfs/dbraw/zinc/52/95/92/711529592.db2.gz WCVSWXHTZLIPBY-XQQFMLRXSA-N 2 1 249.358 1.851 20 0 BDADMP Cc1nnsc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723698438 711535001 /nfs/dbraw/zinc/53/50/01/711535001.db2.gz GHNUZJXZXNNNOW-VIFPVBQESA-N 2 1 226.349 1.017 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892592 711544053 /nfs/dbraw/zinc/54/40/53/711544053.db2.gz SGZICNRPRKRQOK-GRYCIOLGSA-N 2 1 234.347 1.454 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723909791 711544910 /nfs/dbraw/zinc/54/49/10/711544910.db2.gz QMHPCUUIHGZGBJ-DGCLKSJQSA-N 2 1 233.359 1.807 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901353 711544917 /nfs/dbraw/zinc/54/49/17/711544917.db2.gz FYWUXYSTDKHXPQ-GRYCIOLGSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000382658743 711546797 /nfs/dbraw/zinc/54/67/97/711546797.db2.gz WQEJAAKDRWHTEH-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000382658316 711546943 /nfs/dbraw/zinc/54/69/43/711546943.db2.gz QZKNHCUXBJGXED-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000382658316 711546947 /nfs/dbraw/zinc/54/69/47/711546947.db2.gz QZKNHCUXBJGXED-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC1([NH3+])CC[NH+](CCc2ccns2)CC1 ZINC000719888231 711677774 /nfs/dbraw/zinc/67/77/74/711677774.db2.gz WGUVJMANJCPRBT-UHFFFAOYSA-N 2 1 225.361 1.499 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)C(C)C ZINC000721915170 711694192 /nfs/dbraw/zinc/69/41/92/711694192.db2.gz UDXBEBARNXRJAE-VXGBXAGGSA-N 2 1 214.353 1.186 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396602272 711702518 /nfs/dbraw/zinc/70/25/18/711702518.db2.gz HKOZRQJFUHOCKH-YNEHKIRRSA-N 2 1 227.396 1.447 20 0 BDADMP CC(C)(F)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925712239 711711844 /nfs/dbraw/zinc/71/18/44/711711844.db2.gz XBRPKNVQEWPWRE-JTQLQIEISA-N 2 1 214.328 1.999 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257662726 711724442 /nfs/dbraw/zinc/72/44/42/711724442.db2.gz GOSROZPGPHUJFD-AWEZNQCLSA-N 2 1 238.375 1.631 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160043022 711775646 /nfs/dbraw/zinc/77/56/46/711775646.db2.gz CISRVHYGRZXHDP-CYBMUJFWSA-N 2 1 228.380 1.720 20 0 BDADMP CC(C)[C@@H]([NH3+])c1noc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000721349931 711802989 /nfs/dbraw/zinc/80/29/89/711802989.db2.gz IPTKGSBPOAANKM-RKDXNWHRSA-N 2 1 224.308 1.145 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000229066698 711837388 /nfs/dbraw/zinc/83/73/88/711837388.db2.gz BOTXHBULYCASPG-FZMZJTMJSA-N 2 1 233.359 1.807 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000721911486 711917343 /nfs/dbraw/zinc/91/73/43/711917343.db2.gz JNJLPEZPBFLJIM-RWMBFGLXSA-N 2 1 228.380 1.574 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C(C)C ZINC000721911484 711917372 /nfs/dbraw/zinc/91/73/72/711917372.db2.gz JNJLPEZPBFLJIM-FRRDWIJNSA-N 2 1 228.380 1.574 20 0 BDADMP COC[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000721914690 711918335 /nfs/dbraw/zinc/91/83/35/711918335.db2.gz RSSWASXJPCESMN-MCIONIFRSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000721914690 711918338 /nfs/dbraw/zinc/91/83/38/711918338.db2.gz RSSWASXJPCESMN-MCIONIFRSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000721916469 711919139 /nfs/dbraw/zinc/91/91/39/711919139.db2.gz XMKTYMMDOILBNG-STQMWFEESA-N 2 1 228.380 1.576 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000701713085 712028063 /nfs/dbraw/zinc/02/80/63/712028063.db2.gz CFPXIVCRPJJGNG-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702118738 712039445 /nfs/dbraw/zinc/03/94/45/712039445.db2.gz ABUSMEVAJJGNJU-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP CC(C)=CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703595439 712080771 /nfs/dbraw/zinc/08/07/71/712080771.db2.gz KNHLYJUESGDTAW-QWHCGFSZSA-N 2 1 208.349 1.884 20 0 BDADMP CC(C)CCCC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000704004904 712095908 /nfs/dbraw/zinc/09/59/08/712095908.db2.gz DNHVSCSFKCTGJD-ZDUSSCGKSA-N 2 1 228.380 1.469 20 0 BDADMP CC(C)CCCC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000704004904 712095910 /nfs/dbraw/zinc/09/59/10/712095910.db2.gz DNHVSCSFKCTGJD-ZDUSSCGKSA-N 2 1 228.380 1.469 20 0 BDADMP Cc1nccnc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000704099965 712099768 /nfs/dbraw/zinc/09/97/68/712099768.db2.gz BCPZRRREEPAJAR-UHFFFAOYSA-N 2 1 234.347 1.487 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)C1 ZINC000704299160 712102951 /nfs/dbraw/zinc/10/29/51/712102951.db2.gz PNFOVIFHKQCKTQ-KXNHARMFSA-N 2 1 226.389 1.694 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000705708867 712134324 /nfs/dbraw/zinc/13/43/24/712134324.db2.gz VIPMZOBFWLTDJU-HOAMVYINSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000705708867 712134325 /nfs/dbraw/zinc/13/43/25/712134325.db2.gz VIPMZOBFWLTDJU-HOAMVYINSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@]3(CCOC3)C2)CCC[NH2+]C1 ZINC000707211440 712166784 /nfs/dbraw/zinc/16/67/84/712166784.db2.gz BFNTYUCBULXXIG-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000708321893 712186289 /nfs/dbraw/zinc/18/62/89/712186289.db2.gz BRRFDZSAXVOECW-GFCCVEGCSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CC(C)(C)CO1 ZINC000708337148 712188290 /nfs/dbraw/zinc/18/82/90/712188290.db2.gz LCLGCHIZAADXTN-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000708340093 712189471 /nfs/dbraw/zinc/18/94/71/712189471.db2.gz XYDXLFVEEQRMGS-NWDGAFQWSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H](C[N@@H+](C)CCOCC[NH3+])CC(C)(C)C ZINC000709192081 712217442 /nfs/dbraw/zinc/21/74/42/712217442.db2.gz YNEPEKQEFPGFQC-LBPRGKRZSA-N 2 1 230.396 1.966 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(C)CC1)[NH2+]2 ZINC000709284679 712219024 /nfs/dbraw/zinc/21/90/24/712219024.db2.gz NZZWAXHLMVXJPK-CABNGKKXSA-N 2 1 237.391 1.199 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H](CO)C(C)(C)C ZINC000709416425 712221363 /nfs/dbraw/zinc/22/13/63/712221363.db2.gz XGTNEGDYMWGYCG-CYBMUJFWSA-N 2 1 242.407 1.667 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H](CO)C(C)(C)C ZINC000709416438 712221434 /nfs/dbraw/zinc/22/14/34/712221434.db2.gz XGTNEGDYMWGYCG-ZDUSSCGKSA-N 2 1 242.407 1.667 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709787827 712227009 /nfs/dbraw/zinc/22/70/09/712227009.db2.gz BKOCNKHVWZAVKZ-CYBMUJFWSA-N 2 1 234.347 1.028 20 0 BDADMP C[C@H](O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709853607 712230091 /nfs/dbraw/zinc/23/00/91/712230091.db2.gz WLAAGCHZKCQMDT-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP C[N@H+](CC[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000710236755 712249034 /nfs/dbraw/zinc/24/90/34/712249034.db2.gz CPJQEYGKXQEYOD-JTQLQIEISA-N 2 1 214.353 1.471 20 0 BDADMP C[N@@H+](CC[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000710236755 712249035 /nfs/dbraw/zinc/24/90/35/712249035.db2.gz CPJQEYGKXQEYOD-JTQLQIEISA-N 2 1 214.353 1.471 20 0 BDADMP CN(CCCCCC[NH3+])c1[nH+]cnc2[nH]ccc21 ZINC000710804034 712257356 /nfs/dbraw/zinc/25/73/56/712257356.db2.gz KKXVJTCEGNNPMW-UHFFFAOYSA-N 2 1 247.346 1.913 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000711110259 712281383 /nfs/dbraw/zinc/28/13/83/712281383.db2.gz PCDKUMJLPNSCCS-ZOBORPQBSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000711110259 712281385 /nfs/dbraw/zinc/28/13/85/712281385.db2.gz PCDKUMJLPNSCCS-ZOBORPQBSA-N 2 1 238.375 1.628 20 0 BDADMP FC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000711450763 712301721 /nfs/dbraw/zinc/30/17/21/712301721.db2.gz BWOXMBLFPUYTTO-RYUDHWBXSA-N 2 1 214.328 1.668 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000711471729 712303359 /nfs/dbraw/zinc/30/33/59/712303359.db2.gz UWDUGUXLWWKJGH-NWDGAFQWSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOC1CC1 ZINC000711732675 712320727 /nfs/dbraw/zinc/32/07/27/712320727.db2.gz RSGYUVQSNQDHTR-PWSUYJOCSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOC1CC1 ZINC000711732675 712320729 /nfs/dbraw/zinc/32/07/29/712320729.db2.gz RSGYUVQSNQDHTR-PWSUYJOCSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923435144 712322495 /nfs/dbraw/zinc/32/24/95/712322495.db2.gz DRELJIDAVBFNOJ-ZDEQEGDKSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]1CCC[N@H+](CCOC2CC2)[C@H]1C[NH3+] ZINC000711753045 712324853 /nfs/dbraw/zinc/32/48/53/712324853.db2.gz OQBGRACFDKPRIN-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOC2CC2)[C@H]1C[NH3+] ZINC000711753045 712324854 /nfs/dbraw/zinc/32/48/54/712324854.db2.gz OQBGRACFDKPRIN-JQWIXIFHSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOC2CC2)[C@H]1C ZINC000711784652 712330547 /nfs/dbraw/zinc/33/05/47/712330547.db2.gz GFQTVMSJKWXAFC-WOPDTQHZSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOC2CC2)[C@H]1C ZINC000711784652 712330548 /nfs/dbraw/zinc/33/05/48/712330548.db2.gz GFQTVMSJKWXAFC-WOPDTQHZSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438281 712429655 /nfs/dbraw/zinc/42/96/55/712429655.db2.gz OASJFDLRVUFNBC-XQQFMLRXSA-N 2 1 238.375 1.757 20 0 BDADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000712555162 712445070 /nfs/dbraw/zinc/44/50/70/712445070.db2.gz RJMWTNSHTOKIGC-CQSZACIVSA-N 2 1 248.370 1.794 20 0 BDADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000712555162 712445072 /nfs/dbraw/zinc/44/50/72/712445072.db2.gz RJMWTNSHTOKIGC-CQSZACIVSA-N 2 1 248.370 1.794 20 0 BDADMP C[N@@H+](C[C@@H]1CCC(C)(C)CO1)C1CC([NH3+])C1 ZINC000713587496 712465960 /nfs/dbraw/zinc/46/59/60/712465960.db2.gz QWDSSZWBADOREX-MCIGGMRASA-N 2 1 226.364 1.613 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000716462332 712562864 /nfs/dbraw/zinc/56/28/64/712562864.db2.gz GJORITMTJUTHOT-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1C ZINC000716462332 712562866 /nfs/dbraw/zinc/56/28/66/712562866.db2.gz GJORITMTJUTHOT-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP C[C@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717428896 712657353 /nfs/dbraw/zinc/65/73/53/712657353.db2.gz GGKVDUQOZSTLAZ-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000719777649 712823740 /nfs/dbraw/zinc/82/37/40/712823740.db2.gz HPFULGVLGHYGEA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720799393 712866501 /nfs/dbraw/zinc/86/65/01/712866501.db2.gz ZRDPBNKBVPGXMY-KYXWUPHJSA-N 2 1 236.281 1.711 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720868394 712871852 /nfs/dbraw/zinc/87/18/52/712871852.db2.gz XWFCJEUDSXMGGX-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCF)C[C@H]1C(F)(F)F ZINC000720872511 712873271 /nfs/dbraw/zinc/87/32/71/712873271.db2.gz PMKWGCKTUJOKQS-JGVFFNPUSA-N 2 1 228.233 1.415 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000720890481 712875319 /nfs/dbraw/zinc/87/53/19/712875319.db2.gz MBRLOUQWEOILJQ-HZSPNIEDSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720893509 712876225 /nfs/dbraw/zinc/87/62/25/712876225.db2.gz KWTKOEYHYGOFJZ-RFGFWPKPSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000720893509 712876226 /nfs/dbraw/zinc/87/62/26/712876226.db2.gz KWTKOEYHYGOFJZ-RFGFWPKPSA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000720893509 712876228 /nfs/dbraw/zinc/87/62/28/712876228.db2.gz KWTKOEYHYGOFJZ-RFGFWPKPSA-N 2 1 237.391 1.010 20 0 BDADMP CC[N@H+](C)C1CC[NH+](CCCOCOC)CC1 ZINC001209032468 957287030 /nfs/dbraw/zinc/28/70/30/957287030.db2.gz VYAPARBBIZUDCL-UHFFFAOYSA-N 2 1 244.379 1.413 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CCCOCOC)CC1 ZINC001209032468 957287038 /nfs/dbraw/zinc/28/70/38/957287038.db2.gz VYAPARBBIZUDCL-UHFFFAOYSA-N 2 1 244.379 1.413 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cccc(N)[nH+]1 ZINC001164641569 719173325 /nfs/dbraw/zinc/17/33/25/719173325.db2.gz XHXLGYJWJLPQSX-NXEZZACHSA-N 2 1 220.320 1.193 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cccc(N)[nH+]1 ZINC001164641569 719173334 /nfs/dbraw/zinc/17/33/34/719173334.db2.gz XHXLGYJWJLPQSX-NXEZZACHSA-N 2 1 220.320 1.193 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2OC)C1 ZINC000692998896 957412191 /nfs/dbraw/zinc/41/21/91/957412191.db2.gz QCMFCTOMDORRBP-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CCN(CC)[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693543605 958743356 /nfs/dbraw/zinc/74/33/56/958743356.db2.gz KIDSQZCEZIMXKH-FRRDWIJNSA-N 2 1 225.380 1.140 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693543605 958743369 /nfs/dbraw/zinc/74/33/69/958743369.db2.gz KIDSQZCEZIMXKH-FRRDWIJNSA-N 2 1 225.380 1.140 20 0 BDADMP C[NH+](C)CC(C)(C)CN1CCC(F)(F)[C@H]([NH3+])C1 ZINC001206646821 962540400 /nfs/dbraw/zinc/54/04/00/962540400.db2.gz DUKQHSYJIVNITO-SNVBAGLBSA-N 2 1 249.349 1.243 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCO[C@@H](C)C2)CC1 ZINC001168141803 963847564 /nfs/dbraw/zinc/84/75/64/963847564.db2.gz JZUVISBUAOHDIO-JSGCOSHPSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)CCC(C)(C)Nc1cc(N)nc[nH+]1 ZINC001158761214 963916997 /nfs/dbraw/zinc/91/69/97/963916997.db2.gz ZFCZRMIQHTUVMN-UHFFFAOYSA-N 2 1 223.324 1.201 20 0 BDADMP COCC[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168370890 964933327 /nfs/dbraw/zinc/93/33/27/964933327.db2.gz HXCQHSPBQDQZEY-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000701779456 965822287 /nfs/dbraw/zinc/82/22/87/965822287.db2.gz AQNVNBHBJSZFGW-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCCNCC2)CC1 ZINC000715555782 967152840 /nfs/dbraw/zinc/15/28/40/967152840.db2.gz YBCDAGJGXLDEPE-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP C[NH+](C)C1CCC(N2CCC[NH2+]CC2)CC1 ZINC000715555782 967152853 /nfs/dbraw/zinc/15/28/53/967152853.db2.gz YBCDAGJGXLDEPE-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@]1([NH3+])CCCN(CCC2CC[NH2+]CC2)C1 ZINC001204939836 967247302 /nfs/dbraw/zinc/24/73/02/967247302.db2.gz UTSONOVLJWRODB-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2(C)COC2)CC[C@@H]1C[NH3+] ZINC001205603112 967721322 /nfs/dbraw/zinc/72/13/22/967721322.db2.gz NRVBGIMSTOSIGD-VXGBXAGGSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)CC[C@H]1C[NH3+] ZINC001205600504 967721348 /nfs/dbraw/zinc/72/13/48/967721348.db2.gz CCMDDPBWFVYFIZ-MCIONIFRSA-N 2 1 240.391 1.720 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985324 967936268 /nfs/dbraw/zinc/93/62/68/967936268.db2.gz XIQFNOSJPFAXCK-VXGBXAGGSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@H]1C[N@H+](C2CCSCC2)C[C@H]1C[NH3+] ZINC000708864696 967941219 /nfs/dbraw/zinc/94/12/19/967941219.db2.gz ZQRHILWECPWEAU-VHSXEESVSA-N 2 1 214.378 1.409 20 0 BDADMP CO[C@H](C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001206214995 968146076 /nfs/dbraw/zinc/14/60/76/968146076.db2.gz JFXIPZFCURFSBW-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001206537068 968362719 /nfs/dbraw/zinc/36/27/19/968362719.db2.gz HNGOOGSABBEIFK-HZSPNIEDSA-N 2 1 240.391 1.589 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC23COC3)CC1 ZINC001207398325 968751663 /nfs/dbraw/zinc/75/16/63/968751663.db2.gz IFSWJJFUVYVFST-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP c1nc2c(s1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207439081 968773217 /nfs/dbraw/zinc/77/32/17/968773217.db2.gz LKIRYQXFDDNYDS-UHFFFAOYSA-N 2 1 237.372 1.501 20 0 BDADMP CCCOC1C[NH+](CCC2CC[NH+](C)CC2)C1 ZINC001207484937 968796104 /nfs/dbraw/zinc/79/61/04/968796104.db2.gz OXGGQPMJYRTSJL-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1COCC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207480139 968797866 /nfs/dbraw/zinc/79/78/66/968797866.db2.gz UTKLYSHEQHGKLU-CYBMUJFWSA-N 2 1 240.391 1.687 20 0 BDADMP CN1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208105359 969002026 /nfs/dbraw/zinc/00/20/26/969002026.db2.gz VCYLQVHRVCUPBH-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108633 969002398 /nfs/dbraw/zinc/00/23/98/969002398.db2.gz XBSQGGUJYKULPO-STQMWFEESA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CCO1 ZINC001208108360 969002813 /nfs/dbraw/zinc/00/28/13/969002813.db2.gz UMFZNWCPBYAWOM-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+](Cc1ccon1)CC1(C)CC[NH+](C)CC1 ZINC001208109769 969009269 /nfs/dbraw/zinc/00/92/69/969009269.db2.gz QXZLLAZLFOSEGQ-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP C[N@@H+](Cc1ccon1)CC1(C)CC[NH+](C)CC1 ZINC001208109769 969009275 /nfs/dbraw/zinc/00/92/75/969009275.db2.gz QXZLLAZLFOSEGQ-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](O)C[C@H]2C)CC1 ZINC001208597074 969148368 /nfs/dbraw/zinc/14/83/68/969148368.db2.gz BSOFBYNSILCIJT-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](CCN(C)C)CC1CC[NH+](CC)CC1 ZINC001208595479 969150779 /nfs/dbraw/zinc/15/07/79/969150779.db2.gz UKBFXITYBKIAKE-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CC2COC2)CC1 ZINC001208597579 969150872 /nfs/dbraw/zinc/15/08/72/969150872.db2.gz JELGPMXCLDFSGC-UHFFFAOYSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]2COC)CC1 ZINC001208604397 969154327 /nfs/dbraw/zinc/15/43/27/969154327.db2.gz OBPGXWIHDIKQHE-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208606889 969160673 /nfs/dbraw/zinc/16/06/73/969160673.db2.gz ISJKHNQUTYOZEV-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208606889 969160677 /nfs/dbraw/zinc/16/06/77/969160677.db2.gz ISJKHNQUTYOZEV-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208606889 969160686 /nfs/dbraw/zinc/16/06/86/969160686.db2.gz ISJKHNQUTYOZEV-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079180 969396173 /nfs/dbraw/zinc/39/61/73/969396173.db2.gz JIPSHRNSPQVNPT-FVCCEPFGSA-N 2 1 226.364 1.218 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125962 969422982 /nfs/dbraw/zinc/42/29/82/969422982.db2.gz OHWXEICBXIAGAY-MROQNXINSA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125962 969422991 /nfs/dbraw/zinc/42/29/91/969422991.db2.gz OHWXEICBXIAGAY-MROQNXINSA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125962 969422997 /nfs/dbraw/zinc/42/29/97/969422997.db2.gz OHWXEICBXIAGAY-MROQNXINSA-N 2 1 224.348 1.332 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(C)(C)C1)C2 ZINC001169126586 969431111 /nfs/dbraw/zinc/43/11/11/969431111.db2.gz WVWGBVIVGBQBHP-GDNZZTSVSA-N 2 1 208.349 1.953 20 0 BDADMP COC(C)(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209404360 969472014 /nfs/dbraw/zinc/47/20/14/969472014.db2.gz WGPPSSJJGSPPSC-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP COC(C)(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209404360 969472019 /nfs/dbraw/zinc/47/20/19/969472019.db2.gz WGPPSSJJGSPPSC-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CCOC(=O)C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254499804 969658312 /nfs/dbraw/zinc/65/83/12/969658312.db2.gz AXHIQCHAJBZYFB-NEPJUHHUSA-N 2 1 242.363 1.402 20 0 BDADMP C[NH+]1CCCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516220 969686655 /nfs/dbraw/zinc/68/66/55/969686655.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C[NH+]1CCC[C@@H](N2CCC[N@H+](C)CC2)CC1 ZINC001254516220 969686661 /nfs/dbraw/zinc/68/66/61/969686661.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C[NH+]1CCC[C@@H](N2CCC[N@@H+](C)CC2)CC1 ZINC001254516220 969686667 /nfs/dbraw/zinc/68/66/67/969686667.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CN1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254516220 969686674 /nfs/dbraw/zinc/68/66/74/969686674.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CN1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254516220 969686683 /nfs/dbraw/zinc/68/66/83/969686683.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CN1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516220 969686691 /nfs/dbraw/zinc/68/66/91/969686691.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CN1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516220 969686697 /nfs/dbraw/zinc/68/66/97/969686697.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@@H](C)O1 ZINC001254516307 969690158 /nfs/dbraw/zinc/69/01/58/969690158.db2.gz LSMRUYUEHYVELG-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@@H](C)O1 ZINC001254516307 969690161 /nfs/dbraw/zinc/69/01/61/969690161.db2.gz LSMRUYUEHYVELG-UPJWGTAASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCC[C@@H]1O ZINC001254517657 969694402 /nfs/dbraw/zinc/69/44/02/969694402.db2.gz XPYVHZUVQIRDGM-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCC[C@@H]1O ZINC001254517657 969694404 /nfs/dbraw/zinc/69/44/04/969694404.db2.gz XPYVHZUVQIRDGM-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCC[C@@H]1O ZINC001254517657 969694411 /nfs/dbraw/zinc/69/44/11/969694411.db2.gz XPYVHZUVQIRDGM-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C1CCOCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254516835 969698710 /nfs/dbraw/zinc/69/87/10/969698710.db2.gz QKRUQKRHTWAWIY-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](C1CCOCC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254516835 969698715 /nfs/dbraw/zinc/69/87/15/969698715.db2.gz QKRUQKRHTWAWIY-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](C1CCOCC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254516835 969698718 /nfs/dbraw/zinc/69/87/18/969698718.db2.gz QKRUQKRHTWAWIY-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517790 969701566 /nfs/dbraw/zinc/70/15/66/969701566.db2.gz YRSQGHHBXAFQHJ-GRYCIOLGSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254517790 969701577 /nfs/dbraw/zinc/70/15/77/969701577.db2.gz YRSQGHHBXAFQHJ-GRYCIOLGSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254517790 969701587 /nfs/dbraw/zinc/70/15/87/969701587.db2.gz YRSQGHHBXAFQHJ-GRYCIOLGSA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517790 969701600 /nfs/dbraw/zinc/70/16/00/969701600.db2.gz YRSQGHHBXAFQHJ-GRYCIOLGSA-N 2 1 214.328 1.903 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2(C)C)CC1 ZINC001254523347 969713892 /nfs/dbraw/zinc/71/38/92/969713892.db2.gz OKGLXEXJARAICV-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCOCC2(C)C)CC1 ZINC001254523347 969713896 /nfs/dbraw/zinc/71/38/96/969713896.db2.gz OKGLXEXJARAICV-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCOCC2(C)C)CC1 ZINC001254523347 969713898 /nfs/dbraw/zinc/71/38/98/969713898.db2.gz OKGLXEXJARAICV-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCOCC2(C)C)CC1 ZINC001254523347 969713904 /nfs/dbraw/zinc/71/39/04/969713904.db2.gz OKGLXEXJARAICV-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@H+]1CCN([C@H]2CCC[NH+](C)CC2)C[C@H]1C ZINC001254531066 969730079 /nfs/dbraw/zinc/73/00/79/969730079.db2.gz CGUSYSOIRLBPEV-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@H+](C)CC2)C[C@H]1C ZINC001254531066 969730088 /nfs/dbraw/zinc/73/00/88/969730088.db2.gz CGUSYSOIRLBPEV-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@H]2CCC[N@@H+](C)CC2)C[C@H]1C ZINC001254531066 969730094 /nfs/dbraw/zinc/73/00/94/969730094.db2.gz CGUSYSOIRLBPEV-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255296264 970058088 /nfs/dbraw/zinc/05/80/88/970058088.db2.gz RBTPXSNBSMRHDI-GRYCIOLGSA-N 2 1 226.389 1.375 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255296264 970058103 /nfs/dbraw/zinc/05/81/03/970058103.db2.gz RBTPXSNBSMRHDI-GRYCIOLGSA-N 2 1 226.389 1.375 20 0 BDADMP CCCN(CCC[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC001255440494 970172052 /nfs/dbraw/zinc/17/20/52/970172052.db2.gz DHWBTNVOBHMQOY-ZDUSSCGKSA-N 2 1 227.396 1.354 20 0 BDADMP C[NH+](C)[C@H]1CCCN([C@H]2CCC[N@@H+](C)C2)C1 ZINC001255485340 970232182 /nfs/dbraw/zinc/23/21/82/970232182.db2.gz BLGFLTUYRUXHHJ-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCC(N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001255486669 970232564 /nfs/dbraw/zinc/23/25/64/970232564.db2.gz NKDRZORIDGWVOA-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@@H]1C[C@@H](n2c(C)c[nH+]c2CC[NH3+])CCO1 ZINC001170169599 970540941 /nfs/dbraw/zinc/54/09/41/970540941.db2.gz GCJOMVFGVZXFPZ-NWDGAFQWSA-N 2 1 237.347 1.823 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(CC)COC1 ZINC001255946604 970584376 /nfs/dbraw/zinc/58/43/76/970584376.db2.gz WRZFKJBRYOUGMP-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001255956263 970592052 /nfs/dbraw/zinc/59/20/52/970592052.db2.gz JIUCLUCACLNUSC-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001255956263 970592043 /nfs/dbraw/zinc/59/20/43/970592043.db2.gz JIUCLUCACLNUSC-BFHYXJOUSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](O)CC1 ZINC001255956032 970594358 /nfs/dbraw/zinc/59/43/58/970594358.db2.gz GBFKHZTWRLHYJE-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC001255962904 970599891 /nfs/dbraw/zinc/59/98/91/970599891.db2.gz BWAYYGFXNKKVIK-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)N(C)[C@H]1CC[N@@H+](C)C1 ZINC001255965077 970601729 /nfs/dbraw/zinc/60/17/29/970601729.db2.gz XPHAFCQOCPURQB-KGLIPLIRSA-N 2 1 241.423 1.743 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(O)CC2)CC1 ZINC001256195082 970689511 /nfs/dbraw/zinc/68/95/11/970689511.db2.gz YGNPJUKLDVRKCB-BJHJDKERSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@@]1(C)O ZINC001256203313 970700251 /nfs/dbraw/zinc/70/02/51/970700251.db2.gz VHLNKZOZLQKUMB-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@@]1(C)O ZINC001256203313 970700258 /nfs/dbraw/zinc/70/02/58/970700258.db2.gz VHLNKZOZLQKUMB-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000401858530 970738553 /nfs/dbraw/zinc/73/85/53/970738553.db2.gz HFXCGTZALAWLJT-WOPDTQHZSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001332814682 975286553 /nfs/dbraw/zinc/28/65/53/975286553.db2.gz BOLLBTCJMTZSLN-AAEUAGOBSA-N 2 1 226.364 1.472 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC001173622926 975488531 /nfs/dbraw/zinc/48/85/31/975488531.db2.gz OKCVICXDSLXMJF-IJLUTSLNSA-N 2 1 240.347 1.141 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC001173622926 975488560 /nfs/dbraw/zinc/48/85/60/975488560.db2.gz OKCVICXDSLXMJF-IJLUTSLNSA-N 2 1 240.347 1.141 20 0 BDADMP CC[N@H+](CCNc1cc(NC)[nH+]cn1)C(C)C ZINC001333694620 976000465 /nfs/dbraw/zinc/00/04/65/976000465.db2.gz HGECAMUWODFTBY-UHFFFAOYSA-N 2 1 237.351 1.661 20 0 BDADMP CC[N@@H+](CCNc1cc(NC)[nH+]cn1)C(C)C ZINC001333694620 976000479 /nfs/dbraw/zinc/00/04/79/976000479.db2.gz HGECAMUWODFTBY-UHFFFAOYSA-N 2 1 237.351 1.661 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC001177542871 978391950 /nfs/dbraw/zinc/39/19/50/978391950.db2.gz VLMMCFUVXKJFNA-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277888072 978903529 /nfs/dbraw/zinc/90/35/29/978903529.db2.gz HFNGUWTXZULZSB-RTXFEEFZSA-N 2 1 224.348 1.238 20 0 BDADMP CC(C)(C)CC[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056210 978967818 /nfs/dbraw/zinc/96/78/18/978967818.db2.gz WMEQDAIXRANKCJ-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]CCC1C[NH+](CCC[NH2+]C2CCCCC2)C1 ZINC001235919517 979200449 /nfs/dbraw/zinc/20/04/49/979200449.db2.gz XZHSEGMPVZXBKJ-UHFFFAOYSA-N 3 1 239.407 1.579 20 0 BDADMP CC(C)C[N@@H+](C[C@@H](C)N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552758 979635702 /nfs/dbraw/zinc/63/57/02/979635702.db2.gz ZHQOBRYOBFRJOO-JHJVBQTASA-N 2 1 227.396 1.562 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](CC2CCOCC2)C1 ZINC001206541259 979643946 /nfs/dbraw/zinc/64/39/46/979643946.db2.gz FYUMECIFJQMSPO-CQSZACIVSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001205257203 979756735 /nfs/dbraw/zinc/75/67/35/979756735.db2.gz UAXJDMVAHBAVBM-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC001343702463 980202615 /nfs/dbraw/zinc/20/26/15/980202615.db2.gz YJKUWURQONTQLB-NSHDSACASA-N 2 1 241.379 1.103 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccon2)CC[C@H]1C[NH3+] ZINC001205618291 981225388 /nfs/dbraw/zinc/22/53/88/981225388.db2.gz UGPFXTOIWXGJPC-MNOVXSKESA-N 2 1 223.320 1.481 20 0 BDADMP CCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201646020 983398618 /nfs/dbraw/zinc/39/86/18/983398618.db2.gz OBBOUWBXNZFABB-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201646020 983398621 /nfs/dbraw/zinc/39/86/21/983398621.db2.gz OBBOUWBXNZFABB-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CCOCC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001172416745 974686289 /nfs/dbraw/zinc/68/62/89/974686289.db2.gz PWOIAANSGRBXCB-GHMZBOCLSA-N 2 1 202.342 1.328 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246544931 972607475 /nfs/dbraw/zinc/60/74/75/972607475.db2.gz IIMPZRKJLXTAHH-HSBZDZAISA-N 3 1 239.407 1.672 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548073 972677450 /nfs/dbraw/zinc/67/74/50/972677450.db2.gz QOTPZVITMYTQLG-UPJWGTAASA-N 3 1 225.380 1.330 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548073 972677466 /nfs/dbraw/zinc/67/74/66/972677466.db2.gz QOTPZVITMYTQLG-UPJWGTAASA-N 3 1 225.380 1.330 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246548417 972686014 /nfs/dbraw/zinc/68/60/14/972686014.db2.gz GMDVCNLXEQYXHL-IWMBGFJWSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246591701 972997537 /nfs/dbraw/zinc/99/75/37/972997537.db2.gz NNZMVYXBJYZYJS-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246588497 972992966 /nfs/dbraw/zinc/99/29/66/972992966.db2.gz QJLNWZGGLYYZQX-AVGNSLFASA-N 2 1 243.370 1.232 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH2+]CC2)CCC[C@]1(C)O ZINC001246590312 972998834 /nfs/dbraw/zinc/99/88/34/972998834.db2.gz JCRLEPLEGDCBOX-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@@H](C)O1 ZINC001246858653 973169475 /nfs/dbraw/zinc/16/94/75/973169475.db2.gz GNHJFQYOKFZUQV-HNCHTBHHSA-N 2 1 224.348 1.366 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@H+](C)CCC[NH+](C)C ZINC001256408838 970814041 /nfs/dbraw/zinc/81/40/41/970814041.db2.gz FHXCIMLLBYZMCM-ZDUSSCGKSA-N 2 1 235.375 1.896 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@@H+](C)CCC[NH+](C)C ZINC001256408838 970814046 /nfs/dbraw/zinc/81/40/46/970814046.db2.gz FHXCIMLLBYZMCM-ZDUSSCGKSA-N 2 1 235.375 1.896 20 0 BDADMP CC[N@@H+](CCC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000402737821 970829930 /nfs/dbraw/zinc/82/99/30/970829930.db2.gz GVEGRUOVGKFZSJ-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)(C)[NH+]1CCC(n2cnc(C[NH3+])n2)CC1 ZINC001256562353 970862987 /nfs/dbraw/zinc/86/29/87/970862987.db2.gz RVDZQHZJKPTNOL-UHFFFAOYSA-N 2 1 237.351 1.172 20 0 BDADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@](C)(O)C2)CC1 ZINC001256569914 970866301 /nfs/dbraw/zinc/86/63/01/970866301.db2.gz RYNYHWISYQYMQV-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CCCN(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614405 970878161 /nfs/dbraw/zinc/87/81/61/970878161.db2.gz QMTFAEPPTPOPRT-PBWFPOADSA-N 2 1 239.407 1.672 20 0 BDADMP C[C@@H]([NH3+])c1ccn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001256615500 970879393 /nfs/dbraw/zinc/87/93/93/970879393.db2.gz KNUCYECRLRXNEO-YIBTVLSRSA-N 2 1 234.347 1.701 20 0 BDADMP CCC[N@@H+](CCOC)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256620861 970886168 /nfs/dbraw/zinc/88/61/68/970886168.db2.gz FQGUEHYDXAXUSC-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[NH+](CCOC)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256620861 970886171 /nfs/dbraw/zinc/88/61/71/970886171.db2.gz FQGUEHYDXAXUSC-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CCC[NH+](CCOC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256620861 970886181 /nfs/dbraw/zinc/88/61/81/970886181.db2.gz FQGUEHYDXAXUSC-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628315 970895088 /nfs/dbraw/zinc/89/50/88/970895088.db2.gz AJBVOQUIMZROFI-MWWBDVBNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628315 970895090 /nfs/dbraw/zinc/89/50/90/970895090.db2.gz AJBVOQUIMZROFI-MWWBDVBNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1C[C@@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628315 970895098 /nfs/dbraw/zinc/89/50/98/970895098.db2.gz AJBVOQUIMZROFI-MWWBDVBNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H]1C[C@@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628315 970895102 /nfs/dbraw/zinc/89/51/02/970895102.db2.gz AJBVOQUIMZROFI-MWWBDVBNSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001256732134 970956762 /nfs/dbraw/zinc/95/67/62/970956762.db2.gz BFMWFWXUBHLNNW-GUTXKFCHSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001256732134 970956767 /nfs/dbraw/zinc/95/67/67/970956767.db2.gz BFMWFWXUBHLNNW-GUTXKFCHSA-N 2 1 247.386 1.942 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256786736 970989022 /nfs/dbraw/zinc/98/90/22/970989022.db2.gz LQUWMRVSWGOKJO-RBSFLKMASA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256786736 970989026 /nfs/dbraw/zinc/98/90/26/970989026.db2.gz LQUWMRVSWGOKJO-RBSFLKMASA-N 2 1 246.354 1.940 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC001170503095 971001508 /nfs/dbraw/zinc/00/15/08/971001508.db2.gz BZPVGYLNGQRKAM-NEPJUHHUSA-N 2 1 242.363 1.387 20 0 BDADMP [NH3+]CCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900293 971014185 /nfs/dbraw/zinc/01/41/85/971014185.db2.gz LNUHDODGOMCMOS-CYBMUJFWSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]CCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900293 971014202 /nfs/dbraw/zinc/01/42/02/971014202.db2.gz LNUHDODGOMCMOS-CYBMUJFWSA-N 3 1 239.407 1.722 20 0 BDADMP CN(OCC[NH3+])[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256902465 971023648 /nfs/dbraw/zinc/02/36/48/971023648.db2.gz VDNHYYWEJQJHOM-ZDUSSCGKSA-N 2 1 241.379 1.216 20 0 BDADMP C[C@@H](C[NH+](C)C)OC[C@H]1CCCC[N@H+]1C ZINC001224701500 973865066 /nfs/dbraw/zinc/86/50/66/973865066.db2.gz GTLCFJMCRWBTCO-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP CNc1cc(Nc2c(N)cc[nH+]c2OC)cc[nH+]1 ZINC001216334222 971047841 /nfs/dbraw/zinc/04/78/41/971047841.db2.gz QVAHDLQKVGYBRD-UHFFFAOYSA-N 2 1 245.286 1.853 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001257215032 971128289 /nfs/dbraw/zinc/12/82/89/971128289.db2.gz RACQHJGVXHWDFL-OCCSQVGLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001257215032 971128296 /nfs/dbraw/zinc/12/82/96/971128296.db2.gz RACQHJGVXHWDFL-OCCSQVGLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+]1CCC(N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001257223614 971136024 /nfs/dbraw/zinc/13/60/24/971136024.db2.gz SOHQTPFRGXZTIW-CQSZACIVSA-N 2 1 237.391 1.249 20 0 BDADMP CC(C)c1cccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001170566498 971199186 /nfs/dbraw/zinc/19/91/86/971199186.db2.gz GHFYORJNLRLJEG-AAEUAGOBSA-N 2 1 249.358 1.994 20 0 BDADMP C[N@H+]1CCC[C@H]1CO[C@@H]1CCC[NH+](C)CC1 ZINC001224817985 973996373 /nfs/dbraw/zinc/99/63/73/973996373.db2.gz FRTDLNKHUCVUOY-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@@H]1CCC[N@H+](C)CC1 ZINC001224817985 973996384 /nfs/dbraw/zinc/99/63/84/973996384.db2.gz FRTDLNKHUCVUOY-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CO[C@@H]1CCC[N@@H+](C)CC1 ZINC001224817985 973996403 /nfs/dbraw/zinc/99/64/03/973996403.db2.gz FRTDLNKHUCVUOY-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H](N)C23CCC3)CC1 ZINC000405197023 971207383 /nfs/dbraw/zinc/20/73/83/971207383.db2.gz AVQJWEHGYCHLFU-OLZOCXBDSA-N 2 1 237.391 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405227130 971216214 /nfs/dbraw/zinc/21/62/14/971216214.db2.gz PAWKPZQQGNGIBX-UPJWGTAASA-N 2 1 237.391 1.188 20 0 BDADMP C[C@H](Nc1cccn2cc[nH+]c12)[C@H]1C[NH2+]CCO1 ZINC001170571806 971217669 /nfs/dbraw/zinc/21/76/69/971217669.db2.gz ZYANHAJGHZVQEV-CMPLNLGQSA-N 2 1 246.314 1.123 20 0 BDADMP Cc1ccoc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405251539 971220090 /nfs/dbraw/zinc/22/00/90/971220090.db2.gz DCYOTSIXDALZQU-RYUDHWBXSA-N 2 1 220.316 1.948 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405276871 971226478 /nfs/dbraw/zinc/22/64/78/971226478.db2.gz SBVRDHVSBGHYIC-MNOVXSKESA-N 2 1 220.320 1.078 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000405332828 971235049 /nfs/dbraw/zinc/23/50/49/971235049.db2.gz FAFPIMWRDKEKCN-KIDURHIOSA-N 2 1 223.364 1.116 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405352400 971244819 /nfs/dbraw/zinc/24/48/19/971244819.db2.gz OZRSJGHLGWTCGT-JHJVBQTASA-N 2 1 239.407 1.575 20 0 BDADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000405371970 971248843 /nfs/dbraw/zinc/24/88/43/971248843.db2.gz ZISCAPMFNHURIQ-IACUBPJLSA-N 2 1 249.402 1.330 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1C ZINC000405661034 971288420 /nfs/dbraw/zinc/28/84/20/971288420.db2.gz NZFAXFLNJHKVMC-UHXUPSOCSA-N 2 1 238.375 1.484 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001257411576 971306608 /nfs/dbraw/zinc/30/66/08/971306608.db2.gz VRLGMENPCAQWAK-GHMZBOCLSA-N 2 1 230.352 1.293 20 0 BDADMP Cc1ccccc1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405903076 971318700 /nfs/dbraw/zinc/31/87/00/971318700.db2.gz TYWZBQAMAYUXAF-ZDUSSCGKSA-N 2 1 204.317 1.918 20 0 BDADMP Cc1ccccc1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405903076 971318708 /nfs/dbraw/zinc/31/87/08/971318708.db2.gz TYWZBQAMAYUXAF-ZDUSSCGKSA-N 2 1 204.317 1.918 20 0 BDADMP [NH3+]CCC[C@@H]([NH3+])c1nnc(-c2ccccc2)o1 ZINC001217696597 971334150 /nfs/dbraw/zinc/33/41/50/971334150.db2.gz QFHLRUMDCBNGNL-SNVBAGLBSA-N 2 1 232.287 1.475 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CCc2[nH+]ccn2C1 ZINC001224932304 974079426 /nfs/dbraw/zinc/07/94/26/974079426.db2.gz YDMINKPNOWQJGW-GFCCVEGCSA-N 2 1 237.347 1.556 20 0 BDADMP CC[N@H+]1CC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217832841 971426582 /nfs/dbraw/zinc/42/65/82/971426582.db2.gz KYJOANHXYGLJIL-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001257502839 971421559 /nfs/dbraw/zinc/42/15/59/971421559.db2.gz WEKMUFYNUNVAHN-WDEREUQCSA-N 2 1 230.352 1.293 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCSC1 ZINC001257668402 971469927 /nfs/dbraw/zinc/46/99/27/971469927.db2.gz QSDXATPASFIIKL-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257682292 971484922 /nfs/dbraw/zinc/48/49/22/971484922.db2.gz WQNQFWSIEGGAOO-GRYCIOLGSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257682292 971484929 /nfs/dbraw/zinc/48/49/29/971484929.db2.gz WQNQFWSIEGGAOO-GRYCIOLGSA-N 2 1 226.389 1.375 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257682292 971484937 /nfs/dbraw/zinc/48/49/37/971484937.db2.gz WQNQFWSIEGGAOO-GRYCIOLGSA-N 2 1 226.389 1.375 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257683204 971490930 /nfs/dbraw/zinc/49/09/30/971490930.db2.gz ILLUFDFDYKTNNO-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257683204 971490931 /nfs/dbraw/zinc/49/09/31/971490931.db2.gz ILLUFDFDYKTNNO-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257683204 971490935 /nfs/dbraw/zinc/49/09/35/971490935.db2.gz ILLUFDFDYKTNNO-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP c1cn2c([nH+]1)CC[C@H](OC[C@@H]1CCC[NH2+]C1)C2 ZINC001217900414 971502846 /nfs/dbraw/zinc/50/28/46/971502846.db2.gz ZHGLTZQLOYPVOV-NEPJUHHUSA-N 2 1 235.331 1.214 20 0 BDADMP [NH3+]CCc1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001218231058 971643943 /nfs/dbraw/zinc/64/39/43/971643943.db2.gz HKFJZMRMEPVCKP-LLVKDONJSA-N 2 1 242.269 1.174 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729754 971669306 /nfs/dbraw/zinc/66/93/06/971669306.db2.gz GJDWLBIQLYBQJX-FIQHERPVSA-N 2 1 210.365 1.948 20 0 BDADMP N[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC001206156174 974339804 /nfs/dbraw/zinc/33/98/04/974339804.db2.gz OKWWGVFFGFRPEH-OLZOCXBDSA-N 2 1 243.370 1.137 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC001206156174 974339821 /nfs/dbraw/zinc/33/98/21/974339821.db2.gz OKWWGVFFGFRPEH-OLZOCXBDSA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC001206156174 974339833 /nfs/dbraw/zinc/33/98/33/974339833.db2.gz OKWWGVFFGFRPEH-OLZOCXBDSA-N 3 1 243.370 1.137 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103750 974367985 /nfs/dbraw/zinc/36/79/85/974367985.db2.gz XKLOFHMZWKHTNX-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCOCC1 ZINC001170804421 971853954 /nfs/dbraw/zinc/85/39/54/971853954.db2.gz NWRFZYGICUHFLV-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1COC(C)(C)C1 ZINC001172287823 974552335 /nfs/dbraw/zinc/55/23/35/974552335.db2.gz PCPHXRYHOUUGCP-CYBMUJFWSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812981 971885974 /nfs/dbraw/zinc/88/59/74/971885974.db2.gz XWTBFFHBFILKHF-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812981 971885977 /nfs/dbraw/zinc/88/59/77/971885977.db2.gz XWTBFFHBFILKHF-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812981 971885978 /nfs/dbraw/zinc/88/59/78/971885978.db2.gz XWTBFFHBFILKHF-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCCOCC1)C2 ZINC001170835739 971957394 /nfs/dbraw/zinc/95/73/94/971957394.db2.gz VQCFYSPSBONJNH-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]([NH3+])CCNc1nc2[nH]ccc2c[nH+]1 ZINC001170889034 972042100 /nfs/dbraw/zinc/04/21/00/972042100.db2.gz HUXAXRVLIQOBEH-SSDOTTSWSA-N 2 1 205.265 1.059 20 0 BDADMP N[C@H](CCC[NH3+])Nc1cc[nH+]c(C2CC2)c1 ZINC001170902467 972077242 /nfs/dbraw/zinc/07/72/42/972077242.db2.gz CWNPQDVPACOARB-LBPRGKRZSA-N 2 1 220.320 1.395 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC001245999951 972113293 /nfs/dbraw/zinc/11/32/93/972113293.db2.gz KJEZLLSWLHZILS-WCQYABFASA-N 2 1 238.331 1.056 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+](CC[NH3+])CCO)C[C@H]1C ZINC001172359532 974630377 /nfs/dbraw/zinc/63/03/77/974630377.db2.gz JZFHFGAEJOMTDZ-IJLUTSLNSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+](CC[NH3+])CCO)C[C@H]1C ZINC001172359532 974630380 /nfs/dbraw/zinc/63/03/80/974630380.db2.gz JZFHFGAEJOMTDZ-IJLUTSLNSA-N 2 1 214.353 1.064 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246029278 972122728 /nfs/dbraw/zinc/12/27/28/972122728.db2.gz LOPWTMNAXWLDKG-SDDRHHMPSA-N 2 1 232.343 1.299 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246074419 972129272 /nfs/dbraw/zinc/12/92/72/972129272.db2.gz PFBCWMBQZXFKRQ-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246102048 972161503 /nfs/dbraw/zinc/16/15/03/972161503.db2.gz QSIVZQNREIEBCY-AGIUHOORSA-N 3 1 225.380 1.249 20 0 BDADMP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCCCNC1 ZINC001246104005 972167560 /nfs/dbraw/zinc/16/75/60/972167560.db2.gz IEMORZQSNUJCBD-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246121012 972184700 /nfs/dbraw/zinc/18/47/00/972184700.db2.gz VKOXWZOJDPXKEM-RDBSUJKOSA-N 3 1 237.391 1.250 20 0 BDADMP C[N@H+]1CCC[C@@H](NC[C@H]2CCC[NH2+]C2)CC1 ZINC001246197659 972215652 /nfs/dbraw/zinc/21/56/52/972215652.db2.gz BSJZOKCNZVFYPO-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC001246197659 972215654 /nfs/dbraw/zinc/21/56/54/972215654.db2.gz BSJZOKCNZVFYPO-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC001246197659 972215657 /nfs/dbraw/zinc/21/56/57/972215657.db2.gz BSJZOKCNZVFYPO-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246234217 972239884 /nfs/dbraw/zinc/23/98/84/972239884.db2.gz UOTKACCROBESMM-VXGBXAGGSA-N 2 1 228.380 1.658 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246306185 972268740 /nfs/dbraw/zinc/26/87/40/972268740.db2.gz QLFUCLUPNYQJFJ-TUAOUCFPSA-N 3 1 213.369 1.090 20 0 BDADMP COc1cc[nH+]c(N2CCc3[nH+]ccn3CC2)c1 ZINC001167178274 957524593 /nfs/dbraw/zinc/52/45/93/957524593.db2.gz QRCMYRJPZWEEOJ-UHFFFAOYSA-N 2 1 244.298 1.349 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnccn3)C2)CC1 ZINC001209786853 957530426 /nfs/dbraw/zinc/53/04/26/957530426.db2.gz KHZGWRLZZJHATD-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP C[NH+](C)Cc1ccc(N[C@H]2CC[N@@H+](C)C2)nc1 ZINC001167273191 957615556 /nfs/dbraw/zinc/61/55/56/957615556.db2.gz WKRNLEKTNQQCAI-LBPRGKRZSA-N 2 1 234.347 1.259 20 0 BDADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001167278250 957624649 /nfs/dbraw/zinc/62/46/49/957624649.db2.gz DREDRKTZEYBYAC-ZDUSSCGKSA-N 2 1 217.316 1.406 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)CC(C)(C)CC[NH3+] ZINC001246339199 972298646 /nfs/dbraw/zinc/29/86/46/972298646.db2.gz OWIYIPMNNSUCGQ-STQMWFEESA-N 3 1 241.423 1.729 20 0 BDADMP [NH3+][C@@]12CC[C@@](N[C@H]3CCC[NH2+]CC3)(C1)CCC2 ZINC001246333307 972295810 /nfs/dbraw/zinc/29/58/10/972295810.db2.gz LGUIFZIHDBSHQX-MELADBBJSA-N 2 1 237.391 1.522 20 0 BDADMP C[NH+](C)[C@H]1CCN(Cc2[nH+]cc3ccccn32)C1 ZINC001207048176 957841051 /nfs/dbraw/zinc/84/10/51/957841051.db2.gz BWIHAQGNZVPECH-ZDUSSCGKSA-N 2 1 244.342 1.470 20 0 BDADMP CCCO[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000706526257 957947608 /nfs/dbraw/zinc/94/76/08/957947608.db2.gz OUXVBGWCVVHESG-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP Fc1cccc2c1C[C@@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246442226 972313587 /nfs/dbraw/zinc/31/35/87/972313587.db2.gz CMRRQOYZFBDZST-GWCFXTLKSA-N 2 1 232.302 1.244 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693297498 958185992 /nfs/dbraw/zinc/18/59/92/958185992.db2.gz PAVRRFBIBKEIQH-JGPRNRPPSA-N 2 1 248.317 1.185 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000707201872 958401677 /nfs/dbraw/zinc/40/16/77/958401677.db2.gz VUOVNRNQOXNVEW-RYUDHWBXSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCOCC23CCC3)CC[NH2+]1 ZINC000707201872 958401682 /nfs/dbraw/zinc/40/16/82/958401682.db2.gz VUOVNRNQOXNVEW-RYUDHWBXSA-N 2 1 224.348 1.382 20 0 BDADMP CCOCC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001172408875 974667601 /nfs/dbraw/zinc/66/76/01/974667601.db2.gz MZORIFNYHXDUAF-JTQLQIEISA-N 2 1 225.336 1.680 20 0 BDADMP C[C@@H]1CC[C@@H](NC[C@H]2CCCC[N@H+]2C)C[NH2+]1 ZINC000399008863 958480616 /nfs/dbraw/zinc/48/06/16/958480616.db2.gz BJEIVOYMMXXVRX-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486092 972354556 /nfs/dbraw/zinc/35/45/56/972354556.db2.gz CSNOMQURKIPJLE-IHRRRGAJSA-N 2 1 241.423 1.598 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399227152 958573798 /nfs/dbraw/zinc/57/37/98/958573798.db2.gz NOYWIERPOWEDMM-GXTWGEPZSA-N 2 1 248.370 1.968 20 0 BDADMP CCOCC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001172408876 974668212 /nfs/dbraw/zinc/66/82/12/974668212.db2.gz MZORIFNYHXDUAF-SNVBAGLBSA-N 2 1 225.336 1.680 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000382670592 958714602 /nfs/dbraw/zinc/71/46/02/958714602.db2.gz YJCQQWRVFAFFBY-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000382670592 958714619 /nfs/dbraw/zinc/71/46/19/958714619.db2.gz YJCQQWRVFAFFBY-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000693585284 958888432 /nfs/dbraw/zinc/88/84/32/958888432.db2.gz LEYVNWCMDSOSHV-WYUUTHIRSA-N 2 1 212.337 1.223 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1C ZINC000693587120 958892973 /nfs/dbraw/zinc/89/29/73/958892973.db2.gz YCCZMEJMEIWJST-WISYIIOYSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1ncsc1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693590507 958900393 /nfs/dbraw/zinc/90/03/93/958900393.db2.gz AZPGTSGJKWPDSP-AOOOYVTPSA-N 2 1 225.361 1.621 20 0 BDADMP CC1(C[N@@H+]2CC[C@@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222192283 972401246 /nfs/dbraw/zinc/40/12/46/972401246.db2.gz UTFSJGWXFRMCKQ-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP CC1(C[N@H+]2CC[C@@]23CCC[NH2+]C3)CC[NH2+]CC1 ZINC001222192283 972401248 /nfs/dbraw/zinc/40/12/48/972401248.db2.gz UTFSJGWXFRMCKQ-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C1=CO[C@H](C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001222232011 972414872 /nfs/dbraw/zinc/41/48/72/972414872.db2.gz SBTXAWYYICQTPH-UONOGXRCSA-N 2 1 236.359 1.897 20 0 BDADMP C1=CO[C@H](C[N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001222232011 972414878 /nfs/dbraw/zinc/41/48/78/972414878.db2.gz SBTXAWYYICQTPH-UONOGXRCSA-N 2 1 236.359 1.897 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC12CCCC2 ZINC000708316826 959318891 /nfs/dbraw/zinc/31/88/91/959318891.db2.gz OHURMPPJBIFUFL-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC12CCCC2 ZINC000708316826 959318871 /nfs/dbraw/zinc/31/88/71/959318871.db2.gz OHURMPPJBIFUFL-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405211205 959415697 /nfs/dbraw/zinc/41/56/97/959415697.db2.gz IDSMPQDMWRXEOQ-JHJVBQTASA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310451 972437931 /nfs/dbraw/zinc/43/79/31/972437931.db2.gz VXOJUUHHIMGYBI-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc[nH]c3)C2)CC1 ZINC001140709070 959685103 /nfs/dbraw/zinc/68/51/03/959685103.db2.gz RPPLQDJPDRLLAZ-UHFFFAOYSA-N 2 1 233.359 1.932 20 0 BDADMP OCCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222384861 972450759 /nfs/dbraw/zinc/45/07/59/972450759.db2.gz AUPDSIGNTHQASJ-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222384861 972450762 /nfs/dbraw/zinc/45/07/62/972450762.db2.gz AUPDSIGNTHQASJ-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCC3)C[C@H]1C[NH3+] ZINC000708837252 959861920 /nfs/dbraw/zinc/86/19/20/959861920.db2.gz SJVHZCWBKMHDHS-SMDDNHRTSA-N 2 1 246.354 1.648 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522201 960187421 /nfs/dbraw/zinc/18/74/21/960187421.db2.gz NVCUZOAAKJNWOG-AWEZNQCLSA-N 3 1 237.391 1.014 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522201 960187427 /nfs/dbraw/zinc/18/74/27/960187427.db2.gz NVCUZOAAKJNWOG-AWEZNQCLSA-N 3 1 237.391 1.014 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522201 960187430 /nfs/dbraw/zinc/18/74/30/960187430.db2.gz NVCUZOAAKJNWOG-AWEZNQCLSA-N 3 1 237.391 1.014 20 0 BDADMP CN1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522201 960187433 /nfs/dbraw/zinc/18/74/33/960187433.db2.gz NVCUZOAAKJNWOG-AWEZNQCLSA-N 2 1 237.391 1.014 20 0 BDADMP CN1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC000310522201 960187438 /nfs/dbraw/zinc/18/74/38/960187438.db2.gz NVCUZOAAKJNWOG-AWEZNQCLSA-N 2 1 237.391 1.014 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncco3)C2)CC1 ZINC001141011130 960199563 /nfs/dbraw/zinc/19/95/63/960199563.db2.gz RAJJIZMZUSOSLJ-UHFFFAOYSA-N 2 1 235.331 1.592 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CC1CCC2(CC2)CC1 ZINC000695620903 960300856 /nfs/dbraw/zinc/30/08/56/960300856.db2.gz VLZDGQFRNPTNEA-UHFFFAOYSA-N 2 1 240.391 1.864 20 0 BDADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@H]2C1 ZINC001140709728 960530504 /nfs/dbraw/zinc/53/05/04/960530504.db2.gz BHYPDUWJSAZRPI-CHWSQXEVSA-N 2 1 219.332 1.398 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1CO ZINC000709415938 960584125 /nfs/dbraw/zinc/58/41/25/960584125.db2.gz SQGWVKAHQIMUFL-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001140806371 960603084 /nfs/dbraw/zinc/60/30/84/960603084.db2.gz HMQFAQYKHCDFBR-LBPRGKRZSA-N 2 1 242.326 1.453 20 0 BDADMP c1[nH]c2cc[nH+]cc2c1CN1CC[N@H+]2CC[C@H]2C1 ZINC001140806371 960603093 /nfs/dbraw/zinc/60/30/93/960603093.db2.gz HMQFAQYKHCDFBR-LBPRGKRZSA-N 2 1 242.326 1.453 20 0 BDADMP c1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709470880 960623777 /nfs/dbraw/zinc/62/37/77/960623777.db2.gz ZYXHVQNJZGDVGQ-FUNVUKJBSA-N 2 1 217.316 1.454 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cnco3)C2)CC1 ZINC001140933935 960721867 /nfs/dbraw/zinc/72/18/67/960721867.db2.gz NJAHQMOEVPPARI-UHFFFAOYSA-N 2 1 221.304 1.202 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925725660 960820112 /nfs/dbraw/zinc/82/01/12/960820112.db2.gz MIAWHRAPTPDJAD-LPWJVIDDSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@@H]1CC(C[N@@H+]2CCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000724377895 961253572 /nfs/dbraw/zinc/25/35/72/961253572.db2.gz ZBBXVTMFBHBTPW-NQBHXWOUSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC(C[N@H+]2CCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000724377895 961253593 /nfs/dbraw/zinc/25/35/93/961253593.db2.gz ZBBXVTMFBHBTPW-NQBHXWOUSA-N 2 1 226.364 1.613 20 0 BDADMP [NH2+]=C(Nc1cnc2c(c1)CCC2)SCC[NH3+] ZINC001167914722 961823616 /nfs/dbraw/zinc/82/36/16/961823616.db2.gz OYBQRCJKRIHCLK-UHFFFAOYSA-N 2 1 236.344 1.609 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCC[NH2+]1 ZINC000300422948 961892430 /nfs/dbraw/zinc/89/24/30/961892430.db2.gz MQLKFVLYDRJFJP-ZIAGYGMSSA-N 2 1 239.407 1.545 20 0 BDADMP Nc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206632115 962126415 /nfs/dbraw/zinc/12/64/15/962126415.db2.gz GGRXSCPVAYCMNI-LLVKDONJSA-N 2 1 234.347 1.225 20 0 BDADMP Cc1ncncc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206641394 962283760 /nfs/dbraw/zinc/28/37/60/962283760.db2.gz WNTBVMSPLXFPFS-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP C[NH+](C)CC(C)(C)CN1CCC(F)(F)[C@@H]([NH3+])C1 ZINC001206646814 962540124 /nfs/dbraw/zinc/54/01/24/962540124.db2.gz DUKQHSYJIVNITO-JTQLQIEISA-N 2 1 249.349 1.243 20 0 BDADMP N[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648162 962599896 /nfs/dbraw/zinc/59/98/96/962599896.db2.gz MGHNZKOQMHTRAL-MNOVXSKESA-N 2 1 247.333 1.044 20 0 BDADMP C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958514 962827314 /nfs/dbraw/zinc/82/73/14/962827314.db2.gz GHHWMHAZUVFVCF-NDNKKMJESA-N 2 1 238.375 1.362 20 0 BDADMP CCc1nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C)[nH+]1 ZINC001155588403 963116704 /nfs/dbraw/zinc/11/67/04/963116704.db2.gz ZJHMJCFDJXMNSE-WOPDTQHZSA-N 2 1 246.358 1.757 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCO[C@@H](C)C1 ZINC001168073348 963604596 /nfs/dbraw/zinc/60/45/96/963604596.db2.gz CNZYRTWYKWKQBL-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCO[C@H](C)C1 ZINC001168074097 963608180 /nfs/dbraw/zinc/60/81/80/963608180.db2.gz HCVJKZVKMHEISD-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CCc1cc(NC2(CC)C[NH2+]C2)nc(C)[nH+]1 ZINC001157784676 963724602 /nfs/dbraw/zinc/72/46/02/963724602.db2.gz IPRIQUHWURRVTC-UHFFFAOYSA-N 2 1 220.320 1.511 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC001168127512 963802013 /nfs/dbraw/zinc/80/20/13/963802013.db2.gz FWBSCAWGECHEJH-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001168138526 963838199 /nfs/dbraw/zinc/83/81/99/963838199.db2.gz QMQQCWBORMKHHH-NWDGAFQWSA-N 2 1 235.331 1.309 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001168138526 963838202 /nfs/dbraw/zinc/83/82/02/963838202.db2.gz QMQQCWBORMKHHH-NWDGAFQWSA-N 2 1 235.331 1.309 20 0 BDADMP C[NH+](C)CCC(C)(C)Nc1cc(N)[nH+]cn1 ZINC001158761214 963916993 /nfs/dbraw/zinc/91/69/93/963916993.db2.gz ZFCZRMIQHTUVMN-UHFFFAOYSA-N 2 1 223.324 1.201 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCOC1 ZINC000822123837 963938253 /nfs/dbraw/zinc/93/82/53/963938253.db2.gz GDCLUWSUZHSNNQ-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCOCC1 ZINC000822123801 963938349 /nfs/dbraw/zinc/93/83/49/963938349.db2.gz FKTSUHBUDIDXGG-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCOC1 ZINC000822123835 963939830 /nfs/dbraw/zinc/93/98/30/963939830.db2.gz GDCLUWSUZHSNNQ-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCOCC1 ZINC000822123800 963940219 /nfs/dbraw/zinc/94/02/19/963940219.db2.gz FKTSUHBUDIDXGG-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1cc[nH+]c(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159040159 963981102 /nfs/dbraw/zinc/98/11/02/963981102.db2.gz WFILKRLVIUCTRB-UHFFFAOYSA-N 2 1 217.316 1.580 20 0 BDADMP CC[C@]([NH3+])(CO)Nc1[nH+]ccc2c1ccn2C ZINC001159743514 964175941 /nfs/dbraw/zinc/17/59/41/964175941.db2.gz HAVPHKKMDJEELQ-GFCCVEGCSA-N 2 1 234.303 1.043 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC001168315236 964424731 /nfs/dbraw/zinc/42/47/31/964424731.db2.gz SKRKYBXVXYIMAM-WXRRBKDZSA-N 2 1 226.364 1.316 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329746 964466265 /nfs/dbraw/zinc/46/62/65/964466265.db2.gz GDHXIKMWDHCQGA-RUXDESIVSA-N 2 1 238.375 1.913 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697878836 964602489 /nfs/dbraw/zinc/60/24/89/964602489.db2.gz MRPTUKHICQRVTB-VIFPVBQESA-N 2 1 210.325 1.148 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CSC1 ZINC000697998429 964858524 /nfs/dbraw/zinc/85/85/24/964858524.db2.gz BDDYAPBGSSRDCU-RYUDHWBXSA-N 2 1 226.389 1.566 20 0 BDADMP C[C@@]1([NH3+])C[C@H](Nc2nc(N3CCCC3)cc[nH+]2)C1 ZINC001162324884 964930518 /nfs/dbraw/zinc/93/05/18/964930518.db2.gz KTMDMUXORGVNOJ-GSJFWJNXSA-N 2 1 247.346 1.369 20 0 BDADMP CCc1cc(N[C@H]2C[C@@](C)([NH3+])C2)nc(C)[nH+]1 ZINC001162328838 964934358 /nfs/dbraw/zinc/93/43/58/964934358.db2.gz NICUPYHMMOXAOZ-KLPPZKSPSA-N 2 1 220.320 1.639 20 0 BDADMP C[N@@H+](C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168371015 964935587 /nfs/dbraw/zinc/93/55/87/964935587.db2.gz BORHHQWQMIQLPC-UHFFFAOYSA-N 2 1 208.349 1.955 20 0 BDADMP C[C@]1(O)CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374279 964993108 /nfs/dbraw/zinc/99/31/08/964993108.db2.gz YIFUKUJGBPSWJO-AWEZNQCLSA-N 2 1 238.375 1.318 20 0 BDADMP CCCNc1cc[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)n1 ZINC001162555098 965044620 /nfs/dbraw/zinc/04/46/20/965044620.db2.gz MKFCBWJTPNRIRT-GHMZBOCLSA-N 2 1 249.362 1.708 20 0 BDADMP C1=C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000698205077 965105648 /nfs/dbraw/zinc/10/56/48/965105648.db2.gz NMYDZAAWFJFNCH-XQQFMLRXSA-N 2 1 206.333 1.921 20 0 BDADMP CCc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)cc(C)[nH+]1 ZINC001162796581 965183662 /nfs/dbraw/zinc/18/36/62/965183662.db2.gz FLOOJFFHXDWKPK-SDDRHHMPSA-N 2 1 244.342 1.533 20 0 BDADMP Cc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c(C)c(C)[nH+]1 ZINC001162801121 965186715 /nfs/dbraw/zinc/18/67/15/965186715.db2.gz GQHINUSDNHTPPV-YNEHKIRRSA-N 2 1 244.342 1.588 20 0 BDADMP Nc1cc(N[C@H](C[NH3+])c2ccccc2)nc[nH+]1 ZINC001163297486 965325117 /nfs/dbraw/zinc/32/51/17/965325117.db2.gz BMLONMKRXSXLNT-SNVBAGLBSA-N 2 1 229.287 1.171 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000698555530 965328960 /nfs/dbraw/zinc/32/89/60/965328960.db2.gz FSFDZHGTINBFNT-NSHDSACASA-N 2 1 236.306 1.076 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000698555528 965330926 /nfs/dbraw/zinc/33/09/26/965330926.db2.gz FSFDZHGTINBFNT-LLVKDONJSA-N 2 1 236.306 1.076 20 0 BDADMP [NH3+]CC1([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168422403 965390873 /nfs/dbraw/zinc/39/08/73/965390873.db2.gz WRMPVBHJIMMLHN-ZDUSSCGKSA-N 2 1 234.318 1.764 20 0 BDADMP C[C@@H](C[NH+](C)C)Nc1cccn2c[nH+]cc12 ZINC001163782637 965585363 /nfs/dbraw/zinc/58/53/63/965585363.db2.gz NGFNQIZIUKJUFU-JTQLQIEISA-N 2 1 218.304 1.696 20 0 BDADMP Cc1[nH+]ccc(N[C@H](C)C[NH+](C)C)c1F ZINC001163782925 965585961 /nfs/dbraw/zinc/58/59/61/965585961.db2.gz UQSBYMUWSRHSQY-MRVPVSSYSA-N 2 1 211.284 1.313 20 0 BDADMP C/C(=C\C=C\N)[NH2+]CCn1cc[nH+]c1C ZINC001163923610 965637666 /nfs/dbraw/zinc/63/76/66/965637666.db2.gz LBWSJNAGFXMBDT-OXWOXFIQSA-N 2 1 206.293 1.157 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2COC(C)(C)O2)CC[N@H+]1C ZINC000715115862 965723025 /nfs/dbraw/zinc/72/30/25/965723025.db2.gz QMJQOYGUELUGSA-TUAOUCFPSA-N 2 1 242.363 1.210 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1C ZINC001205094908 965733606 /nfs/dbraw/zinc/73/36/06/965733606.db2.gz RJIDEEPNLDOJJA-LLVKDONJSA-N 2 1 222.336 1.042 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1C ZINC001205094908 965733614 /nfs/dbraw/zinc/73/36/14/965733614.db2.gz RJIDEEPNLDOJJA-LLVKDONJSA-N 2 1 222.336 1.042 20 0 BDADMP C[C@]1(C[NH3+])CCCN(c2cc[nH+]c(N)n2)CC1 ZINC001164247378 965809871 /nfs/dbraw/zinc/80/98/71/965809871.db2.gz IBAOBBJAEVPJJE-LBPRGKRZSA-N 2 1 235.335 1.014 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3n[nH]cc32)CC1 ZINC001205109920 965830759 /nfs/dbraw/zinc/83/07/59/965830759.db2.gz NBAKTAWMLOZPKS-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCN3)CC1 ZINC001205117783 965871633 /nfs/dbraw/zinc/87/16/33/965871633.db2.gz VGMVNBUKKHBPFO-AWEZNQCLSA-N 2 1 245.370 1.968 20 0 BDADMP C[NH+](C)C[C@]12C[C@H]1CN(c1[nH+]cccc1N)C2 ZINC001165184123 965978304 /nfs/dbraw/zinc/97/83/04/965978304.db2.gz LPKVPKHBHCEESH-GWCFXTLKSA-N 2 1 232.331 1.052 20 0 BDADMP Nc1ccc[nH+]c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165236580 966004390 /nfs/dbraw/zinc/00/43/90/966004390.db2.gz LEOMOTAXXQYJDW-CYBMUJFWSA-N 2 1 232.331 1.244 20 0 BDADMP CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205146417 966046316 /nfs/dbraw/zinc/04/63/16/966046316.db2.gz VNOPRYRCBSWWHG-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205146417 966046330 /nfs/dbraw/zinc/04/63/30/966046330.db2.gz VNOPRYRCBSWWHG-WCQYABFASA-N 2 1 249.358 1.507 20 0 BDADMP COCc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC001205146426 966047873 /nfs/dbraw/zinc/04/78/73/966047873.db2.gz VVXBNNKCBQZHHY-NWDGAFQWSA-N 2 1 249.358 1.255 20 0 BDADMP COCc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC001205146426 966047887 /nfs/dbraw/zinc/04/78/87/966047887.db2.gz VVXBNNKCBQZHHY-NWDGAFQWSA-N 2 1 249.358 1.255 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC001165382843 966076994 /nfs/dbraw/zinc/07/69/94/966076994.db2.gz XZXPOJYAOICIEE-JGPRNRPPSA-N 2 1 203.289 1.092 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000691357703 966115410 /nfs/dbraw/zinc/11/54/10/966115410.db2.gz CXYIEJPXFNHOQB-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001235977325 966192141 /nfs/dbraw/zinc/19/21/41/966192141.db2.gz GNBDFIITDLRFLJ-YRGRVCCFSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc(N)c2)C1 ZINC001236045848 966252027 /nfs/dbraw/zinc/25/20/27/966252027.db2.gz DISNOOLBBSPUEL-MFKMUULPSA-N 2 1 219.332 1.438 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc(N)c2)C1 ZINC001236045848 966252037 /nfs/dbraw/zinc/25/20/37/966252037.db2.gz DISNOOLBBSPUEL-MFKMUULPSA-N 2 1 219.332 1.438 20 0 BDADMP COc1cccc(CCC[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206712143 966257809 /nfs/dbraw/zinc/25/78/09/966257809.db2.gz SRJMSKZINSCPTP-UHFFFAOYSA-N 2 1 248.370 1.908 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCC[C@H]1N ZINC001236210346 966310418 /nfs/dbraw/zinc/31/04/18/966310418.db2.gz CDJLSRFWNFBDHS-OLZOCXBDSA-N 2 1 225.380 1.188 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236313972 966361403 /nfs/dbraw/zinc/36/14/03/966361403.db2.gz CLSKINVNSIDVNW-OKILXGFUSA-N 2 1 246.358 1.216 20 0 BDADMP Nc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237415578 966658683 /nfs/dbraw/zinc/65/86/83/966658683.db2.gz QAWIEBKTJWYRNX-ZFWWWQNUSA-N 2 1 245.370 1.843 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C)COC1 ZINC001276415659 966739487 /nfs/dbraw/zinc/73/94/87/966739487.db2.gz OCIYEBWRPFHTAD-YOGCLGLASA-N 2 1 224.348 1.238 20 0 BDADMP C[N@@H+](CCCCCCO)CC(C)(C)[NH3+] ZINC000692044517 966742221 /nfs/dbraw/zinc/74/22/21/966742221.db2.gz ULEJDQMMCHULJN-UHFFFAOYSA-N 2 1 202.342 1.208 20 0 BDADMP COC1CCC(C[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204763934 967154095 /nfs/dbraw/zinc/15/40/95/967154095.db2.gz TZLQMNSZHOLLPE-BPCQOVAHSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC1=O ZINC000715558801 967161847 /nfs/dbraw/zinc/16/18/47/967161847.db2.gz SJDLKLSZIQCUDN-HIFPTAJRSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CCCCCC[NH3+])C1 ZINC001204939463 967242858 /nfs/dbraw/zinc/24/28/58/967242858.db2.gz RLOUJVSYEUHVJU-LBPRGKRZSA-N 3 1 213.369 1.319 20 0 BDADMP C[C@]1([NH3+])CCCN(CCCCCC[NH3+])C1 ZINC001204939463 967242869 /nfs/dbraw/zinc/24/28/69/967242869.db2.gz RLOUJVSYEUHVJU-LBPRGKRZSA-N 2 1 213.369 1.319 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001204939836 967247292 /nfs/dbraw/zinc/24/72/92/967247292.db2.gz UTSONOVLJWRODB-ZDUSSCGKSA-N 3 1 225.380 1.189 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000721934326 967257026 /nfs/dbraw/zinc/25/70/26/967257026.db2.gz YIQMFJWXDSDSDA-HPCHECBXSA-N 2 1 238.375 1.471 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000721934329 967257682 /nfs/dbraw/zinc/25/76/82/967257682.db2.gz YIQMFJWXDSDSDA-QNSTZXKLSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H](O)[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000691351648 967262633 /nfs/dbraw/zinc/26/26/33/967262633.db2.gz UFUALMYCABXRBB-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@H]1CCC=CO1 ZINC001205064812 967321131 /nfs/dbraw/zinc/32/11/31/967321131.db2.gz WKHFERMHJZUCCB-SDDRHHMPSA-N 2 1 210.321 1.491 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@H]1CCC=CO1 ZINC001205064812 967321142 /nfs/dbraw/zinc/32/11/42/967321142.db2.gz WKHFERMHJZUCCB-SDDRHHMPSA-N 2 1 210.321 1.491 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CCC23CC([NH3+])(C2)C3)CC1 ZINC001205088707 967330307 /nfs/dbraw/zinc/33/03/07/967330307.db2.gz RNOPPEOQFGILAK-PNESKVBLSA-N 3 1 223.364 1.071 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccccc1N ZINC001205082680 967334470 /nfs/dbraw/zinc/33/44/70/967334470.db2.gz HZDVQIQLWQPQFV-JQWIXIFHSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccccc1N ZINC001205082680 967334476 /nfs/dbraw/zinc/33/44/76/967334476.db2.gz HZDVQIQLWQPQFV-JQWIXIFHSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1N ZINC001205082680 967334481 /nfs/dbraw/zinc/33/44/81/967334481.db2.gz HZDVQIQLWQPQFV-JQWIXIFHSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1N ZINC001205082680 967334488 /nfs/dbraw/zinc/33/44/88/967334488.db2.gz HZDVQIQLWQPQFV-JQWIXIFHSA-N 2 1 219.332 1.580 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc3ccnn32)CC1 ZINC001205102929 967343767 /nfs/dbraw/zinc/34/37/67/967343767.db2.gz WOTXONCHOUESHS-LBPRGKRZSA-N 2 1 244.342 1.648 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3ccnn32)CC1 ZINC001205102929 967343783 /nfs/dbraw/zinc/34/37/83/967343783.db2.gz WOTXONCHOUESHS-LBPRGKRZSA-N 2 1 244.342 1.648 20 0 BDADMP Nc1ncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205102420 967349273 /nfs/dbraw/zinc/34/92/73/967349273.db2.gz RYFWQBGTQUICFA-QMMMGPOBSA-N 2 1 226.349 1.039 20 0 BDADMP Nc1ncc(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205102420 967349284 /nfs/dbraw/zinc/34/92/84/967349284.db2.gz RYFWQBGTQUICFA-QMMMGPOBSA-N 2 1 226.349 1.039 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205110605 967356209 /nfs/dbraw/zinc/35/62/09/967356209.db2.gz WXCCIUIGGMPXQK-NSHDSACASA-N 2 1 235.331 1.409 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001205110135 967357672 /nfs/dbraw/zinc/35/76/72/967357672.db2.gz PJJZRABBMRUCJY-CYBMUJFWSA-N 2 1 244.342 1.876 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC001205130407 967373968 /nfs/dbraw/zinc/37/39/68/967373968.db2.gz DVTDNAKQRVEGSV-WCQYABFASA-N 2 1 236.334 1.895 20 0 BDADMP CS[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171335 967409865 /nfs/dbraw/zinc/40/98/65/967409865.db2.gz NDZSBHUKOOMKML-OPRDCNLKSA-N 2 1 202.367 1.550 20 0 BDADMP CS[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171335 967409871 /nfs/dbraw/zinc/40/98/71/967409871.db2.gz NDZSBHUKOOMKML-OPRDCNLKSA-N 2 1 202.367 1.550 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3ncccc3[nH]2)C[C@H]1C[NH3+] ZINC001205145809 967386915 /nfs/dbraw/zinc/38/69/15/967386915.db2.gz IQWWRCVKXXCNLC-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ccncc23)C[C@H]1C[NH3+] ZINC001205140919 967386962 /nfs/dbraw/zinc/38/69/62/967386962.db2.gz RTDHESAHMILWRI-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@H+](Cc2cnc3cc[nH]cc2-3)C[C@H]1C[NH3+] ZINC001205140919 967386982 /nfs/dbraw/zinc/38/69/82/967386982.db2.gz RTDHESAHMILWRI-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnc3cc[nH]cc2-3)C[C@H]1C[NH3+] ZINC001205140919 967386993 /nfs/dbraw/zinc/38/69/93/967386993.db2.gz RTDHESAHMILWRI-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205228349 967429044 /nfs/dbraw/zinc/42/90/44/967429044.db2.gz DHQJSUZQKIOWOX-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP CC1(C)OC[C@H](C[N@H+]2CCC[C@](C)([NH3+])CC2)O1 ZINC001205257142 967443607 /nfs/dbraw/zinc/44/36/07/967443607.db2.gz SPEGNEQWEGMLSC-AAEUAGOBSA-N 2 1 242.363 1.341 20 0 BDADMP COCCCC[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255874 967444301 /nfs/dbraw/zinc/44/43/01/967444301.db2.gz MLYANGGLGNYTBH-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP Cc1c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cnn1C ZINC001205265663 967458502 /nfs/dbraw/zinc/45/85/02/967458502.db2.gz QOBZEHQVTCJTQP-ZDUSSCGKSA-N 2 1 236.363 1.432 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc[nH]c2)CC1 ZINC001205273017 967465995 /nfs/dbraw/zinc/46/59/95/967465995.db2.gz CILSDGJKOOXAGF-LBPRGKRZSA-N 2 1 207.321 1.718 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc[nH]2)CC1 ZINC001205545583 967663937 /nfs/dbraw/zinc/66/39/37/967663937.db2.gz JPVGEUHYCJUAHB-GFCCVEGCSA-N 2 1 225.311 1.668 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](CC2CCC2)CC1 ZINC001205537122 967667634 /nfs/dbraw/zinc/66/76/34/967667634.db2.gz CWNLXNCJHHTWGG-LBPRGKRZSA-N 2 1 214.328 1.939 20 0 BDADMP CCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205537205 967674342 /nfs/dbraw/zinc/67/43/42/967674342.db2.gz FZTWOBDGMWBVSR-LLVKDONJSA-N 2 1 202.317 1.939 20 0 BDADMP Cc1coc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)n1 ZINC001205592041 967712374 /nfs/dbraw/zinc/71/23/74/967712374.db2.gz QPCSPINLCZOUJZ-LBPRGKRZSA-N 2 1 241.310 1.636 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001205601620 967718299 /nfs/dbraw/zinc/71/82/99/967718299.db2.gz FKKMZYSTOKXDFO-HZSPNIEDSA-N 3 1 239.407 1.293 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC001205601622 967719965 /nfs/dbraw/zinc/71/99/65/967719965.db2.gz FKKMZYSTOKXDFO-MGPQQGTHSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)[nH]n1 ZINC001205603033 967721700 /nfs/dbraw/zinc/72/17/00/967721700.db2.gz NAUANJDNHJGTHH-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)n[nH]1 ZINC001205603033 967721714 /nfs/dbraw/zinc/72/17/14/967721714.db2.gz NAUANJDNHJGTHH-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)n[nH]1 ZINC001205603033 967721721 /nfs/dbraw/zinc/72/17/21/967721721.db2.gz NAUANJDNHJGTHH-ZYHUDNBSSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CC[C@@H]1C[NH3+] ZINC001205618914 967726244 /nfs/dbraw/zinc/72/62/44/967726244.db2.gz ZCTMFQGKGYHWKX-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnccc2N)CC[C@H]1C[NH3+] ZINC001205618574 967728722 /nfs/dbraw/zinc/72/87/22/967728722.db2.gz XGVFYPRDMLMERG-NEPJUHHUSA-N 2 1 248.374 1.301 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ncccc2N)CC[C@@H]1C[NH3+] ZINC001205616246 967729135 /nfs/dbraw/zinc/72/91/35/967729135.db2.gz DSKAHALXXYKIGS-VXGBXAGGSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ncccc2O)CC[C@@H]1C[NH3+] ZINC001205616028 967730928 /nfs/dbraw/zinc/73/09/28/967730928.db2.gz BWUNJFUEMVBIQF-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ncccc2O)CC[C@@H]1C[NH3+] ZINC001205616028 967730945 /nfs/dbraw/zinc/73/09/45/967730945.db2.gz BWUNJFUEMVBIQF-NWDGAFQWSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnc2N)CC[C@@H]1C[NH3+] ZINC001205637031 967734740 /nfs/dbraw/zinc/73/47/40/967734740.db2.gz GFJTVIJUNROTQI-NWDGAFQWSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2[O-])CC[C@H]1C[NH3+] ZINC001205627553 967734795 /nfs/dbraw/zinc/73/47/95/967734795.db2.gz QNFXYYLGRGMFIB-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ccncc2O)CC[C@H]1C[NH3+] ZINC001205627553 967734806 /nfs/dbraw/zinc/73/48/06/967734806.db2.gz QNFXYYLGRGMFIB-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccncc2O)CC[C@H]1C[NH3+] ZINC001205627553 967734816 /nfs/dbraw/zinc/73/48/16/967734816.db2.gz QNFXYYLGRGMFIB-RYUDHWBXSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnc2N)CC[C@H]1C[NH3+] ZINC001205637029 967738220 /nfs/dbraw/zinc/73/82/20/967738220.db2.gz GFJTVIJUNROTQI-NEPJUHHUSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1coc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)n1 ZINC001205655200 967751407 /nfs/dbraw/zinc/75/14/07/967751407.db2.gz YZSHKVMIRKJLQL-JQWIXIFHSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1[nH]c(CN2C[C@H](C)CC[C@@H]2C[NH3+])c(C)[nH+]1 ZINC001205840861 967847259 /nfs/dbraw/zinc/84/72/59/967847259.db2.gz IJANXMCHCXYHHX-BXKDBHETSA-N 2 1 236.363 1.586 20 0 BDADMP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC001205946968 967896976 /nfs/dbraw/zinc/89/69/76/967896976.db2.gz UQNHJXKBKGKNHW-IACUBPJLSA-N 2 1 234.343 1.184 20 0 BDADMP C[C@H]1C[N@@H+](CCCCO)CCC[C@@H]1C[NH3+] ZINC001205984678 967929377 /nfs/dbraw/zinc/92/93/77/967929377.db2.gz UCWISLVJOUMVPP-NWDGAFQWSA-N 2 1 214.353 1.066 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001205983909 967929555 /nfs/dbraw/zinc/92/95/55/967929555.db2.gz PYGCIIGLUWMDHC-AAEUAGOBSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CCC[C@@H]1C[NH3+] ZINC001205992583 967938521 /nfs/dbraw/zinc/93/85/21/967938521.db2.gz FMDZQFSXZANVCD-WCQYABFASA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncccn2)CCC[C@H]1C[NH3+] ZINC001205991780 967938907 /nfs/dbraw/zinc/93/89/07/967938907.db2.gz BZYLDAKSPBECIH-NEPJUHHUSA-N 2 1 234.347 1.283 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CCC[C@@H]1C[NH3+] ZINC001205992582 967943351 /nfs/dbraw/zinc/94/33/51/967943351.db2.gz FMDZQFSXZANVCD-DGCLKSJQSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccon2)CCC[C@@H]1C[NH3+] ZINC001205996562 967949866 /nfs/dbraw/zinc/94/98/66/967949866.db2.gz XGPOYRVXVRELQI-WDEREUQCSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2nccs2)CCC[C@@H]1C[NH3+] ZINC001205992921 967953327 /nfs/dbraw/zinc/95/33/27/967953327.db2.gz GFIAOJLOJIKNQU-GHMZBOCLSA-N 2 1 239.388 1.950 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003694 967959375 /nfs/dbraw/zinc/95/93/75/967959375.db2.gz LJITUMPZFVQSEM-AAEUAGOBSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]ccc2=O)CCC[C@@H]1C[NH3+] ZINC001206026259 967983700 /nfs/dbraw/zinc/98/37/00/967983700.db2.gz RDNGAVFNEYZMEQ-NWDGAFQWSA-N 2 1 249.358 1.182 20 0 BDADMP Cc1c[nH+]cc(NC[C@]23C[NH2+]C[C@H]2COC3)c1C ZINC001163154920 967990987 /nfs/dbraw/zinc/99/09/87/967990987.db2.gz UDPSHMZGJPRYMM-JSGCOSHPSA-N 2 1 247.342 1.346 20 0 BDADMP Cc1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)[nH+]c1 ZINC001163306193 968017585 /nfs/dbraw/zinc/01/75/85/968017585.db2.gz QLADUWVNRSSZTN-GXTWGEPZSA-N 2 1 247.342 1.713 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CC[C@H]1F ZINC001206167315 968102310 /nfs/dbraw/zinc/10/23/10/968102310.db2.gz YGLQCUKUPGHQAN-MNOVXSKESA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CC[C@H]1F ZINC001206167315 968102317 /nfs/dbraw/zinc/10/23/17/968102317.db2.gz YGLQCUKUPGHQAN-MNOVXSKESA-N 2 1 239.294 1.048 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206197211 968126899 /nfs/dbraw/zinc/12/68/99/968126899.db2.gz GUIDJZAQLBSWTO-WDEREUQCSA-N 2 1 241.310 1.553 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206197211 968126922 /nfs/dbraw/zinc/12/69/22/968126922.db2.gz GUIDJZAQLBSWTO-WDEREUQCSA-N 2 1 241.310 1.553 20 0 BDADMP CO[C@@H](C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001206214997 968147783 /nfs/dbraw/zinc/14/77/83/968147783.db2.gz JFXIPZFCURFSBW-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2c(c1)NCC2 ZINC001206269131 968187572 /nfs/dbraw/zinc/18/75/72/968187572.db2.gz CGNNOYLJICUXCR-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2c(c1)NCC2 ZINC001206269131 968187576 /nfs/dbraw/zinc/18/75/76/968187576.db2.gz CGNNOYLJICUXCR-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP CC1(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)COC1 ZINC001206292484 968200904 /nfs/dbraw/zinc/20/09/04/968200904.db2.gz BVBGGYAPCJNUFX-GFCCVEGCSA-N 2 1 226.364 1.474 20 0 BDADMP C[N@H+]1CCC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206302656 968209277 /nfs/dbraw/zinc/20/92/77/968209277.db2.gz PEIFJLRFARVCHU-GFCCVEGCSA-N 2 1 212.337 1.193 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206308686 968213920 /nfs/dbraw/zinc/21/39/20/968213920.db2.gz GGXAGCLMTRMSGZ-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464686 968323173 /nfs/dbraw/zinc/32/31/73/968323173.db2.gz RZNGUSAPZJSAPK-UONOGXRCSA-N 2 1 234.343 1.055 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001206606566 968413949 /nfs/dbraw/zinc/41/39/49/968413949.db2.gz PKZQKCJUICJTHR-CQSZACIVSA-N 2 1 239.407 1.437 20 0 BDADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C[C@H](C)O)[C@H](C)C1 ZINC001251978143 968421494 /nfs/dbraw/zinc/42/14/94/968421494.db2.gz NMYLLKMHWZXZIE-GRYCIOLGSA-N 2 1 214.353 1.076 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(N)n1 ZINC001206624624 968423422 /nfs/dbraw/zinc/42/34/22/968423422.db2.gz XOGHQZNGZFWYRZ-LBPRGKRZSA-N 2 1 248.374 1.533 20 0 BDADMP Nc1ncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC001206623494 968424106 /nfs/dbraw/zinc/42/41/06/968424106.db2.gz LYZQCGSKFGNZJP-VIFPVBQESA-N 2 1 240.376 1.286 20 0 BDADMP CSCCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000085696863 968427513 /nfs/dbraw/zinc/42/75/13/968427513.db2.gz DKBJEBFJMQIDQA-GFCCVEGCSA-N 2 1 228.405 1.910 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc[nH]c(=O)c1)C2 ZINC001207123628 968641595 /nfs/dbraw/zinc/64/15/95/968641595.db2.gz UJIQQHVGNVDZNA-TZMCWYRMSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc[nH]c(=O)c1)C2 ZINC001207123628 968641599 /nfs/dbraw/zinc/64/15/99/968641599.db2.gz UJIQQHVGNVDZNA-TZMCWYRMSA-N 2 1 247.342 1.171 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC(C)(C)O)C1 ZINC001252365499 968644780 /nfs/dbraw/zinc/64/47/80/968644780.db2.gz WNTUVAOKEIFNMH-BETUJISGSA-N 2 1 242.407 1.715 20 0 BDADMP CC(C)(CNc1cc[nH+]cc1)[NH+]1CCOCC1 ZINC001252420820 968676648 /nfs/dbraw/zinc/67/66/48/968676648.db2.gz SGIPQODWDDDDFW-UHFFFAOYSA-N 2 1 235.331 1.026 20 0 BDADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CCCO1 ZINC001207276119 968714386 /nfs/dbraw/zinc/71/43/86/968714386.db2.gz UYAKQPJCPALDAG-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP CN(CC(C)(C)C[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC001207286418 968717941 /nfs/dbraw/zinc/71/79/41/968717941.db2.gz RGDZBHTZKDKYRU-LBPRGKRZSA-N 2 1 227.396 1.210 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1F ZINC001207391328 968747601 /nfs/dbraw/zinc/74/76/01/968747601.db2.gz FDSONSULSPDOIR-PWSUYJOCSA-N 2 1 214.328 1.618 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001207439413 968774220 /nfs/dbraw/zinc/77/42/20/968774220.db2.gz SPGYBBUOPHITJT-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC001207470496 968789443 /nfs/dbraw/zinc/78/94/43/968789443.db2.gz RVUDYYQTJFFOAC-MGPQQGTHSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479404 968793297 /nfs/dbraw/zinc/79/32/97/968793297.db2.gz IBXUJABFSPSGAV-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP COC(C[N@@H+](C)CCC1CC[NH+](C)CC1)OC ZINC001207487102 968798156 /nfs/dbraw/zinc/79/81/56/968798156.db2.gz QCCWHZVXCXAZNZ-UHFFFAOYSA-N 2 1 244.379 1.269 20 0 BDADMP CC1(C)C[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000829274648 968824523 /nfs/dbraw/zinc/82/45/23/968824523.db2.gz GLZVPIMYZGYGEV-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000829274648 968824525 /nfs/dbraw/zinc/82/45/25/968824525.db2.gz GLZVPIMYZGYGEV-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CCN(C)c1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154976410 968829714 /nfs/dbraw/zinc/82/97/14/968829714.db2.gz KUWATZWNBXSIDV-QWRGUYRKSA-N 2 1 249.362 1.615 20 0 BDADMP COC[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829276037 968830539 /nfs/dbraw/zinc/83/05/39/968830539.db2.gz RUPCYTZOKCPZEY-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]2C1 ZINC001207629913 968845565 /nfs/dbraw/zinc/84/55/65/968845565.db2.gz OWLMHHHXZNVKBJ-VYDRJRHOSA-N 2 1 232.371 1.692 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)CC1(C)COC1 ZINC001207800402 968889409 /nfs/dbraw/zinc/88/94/09/968889409.db2.gz QMFPBBWBEHUWAM-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001252789250 968963819 /nfs/dbraw/zinc/96/38/19/968963819.db2.gz IXJPQEDSGYJTMI-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001252789250 968963826 /nfs/dbraw/zinc/96/38/26/968963826.db2.gz IXJPQEDSGYJTMI-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP C[NH+](C)Cc1cccc(C2=CC[N@@H+](C)CC2)n1 ZINC001241318088 968975987 /nfs/dbraw/zinc/97/59/87/968975987.db2.gz XGPZGQDVESCCPI-UHFFFAOYSA-N 2 1 231.343 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CCO1 ZINC001208108359 968999492 /nfs/dbraw/zinc/99/94/92/968999492.db2.gz UMFZNWCPBYAWOM-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1COCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208106550 969001393 /nfs/dbraw/zinc/00/13/93/969001393.db2.gz GOAZKWAHEUMLOR-ZDUSSCGKSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC001253187799 969101061 /nfs/dbraw/zinc/10/10/61/969101061.db2.gz JFHMDJFVOLZXDG-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP Cc1cccc(NC[C@H](O)C[NH2+]C(C)(C)C)[nH+]1 ZINC001253382421 969146896 /nfs/dbraw/zinc/14/68/96/969146896.db2.gz HSMXHYXWGVIUMP-NSHDSACASA-N 2 1 237.347 1.551 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC001208592580 969147484 /nfs/dbraw/zinc/14/74/84/969147484.db2.gz KIFPJFWGESJYSH-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H](OC)[C@@H](F)C2)CC1 ZINC001208592017 969149034 /nfs/dbraw/zinc/14/90/34/969149034.db2.gz AVMFRFQVPHLXBC-QWHCGFSZSA-N 2 1 244.354 1.387 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C2CC2)C2COC2)CC1 ZINC001208597741 969150202 /nfs/dbraw/zinc/15/02/02/969150202.db2.gz MLZJQNIFPAVBTE-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2CO)CC1 ZINC001208595142 969152520 /nfs/dbraw/zinc/15/25/20/969152520.db2.gz QGCNUMDXSAXBQV-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@@H](CN2CC[NH+](C3CC3)CC2)C1 ZINC001208604070 969154486 /nfs/dbraw/zinc/15/44/86/969154486.db2.gz KTCVANGHFJTIFL-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP CC(C)N(CCC[NH3+])c1[nH+]cccc1N ZINC001156118386 969194285 /nfs/dbraw/zinc/19/42/85/969194285.db2.gz HNKHDQIOHUCKMR-UHFFFAOYSA-N 2 1 208.309 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccnn2C)CCC[C@H]1C[NH3+] ZINC001205991351 969204880 /nfs/dbraw/zinc/20/48/80/969204880.db2.gz AEOBVJBARTWUPG-RYUDHWBXSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CCC[C@H]1C[NH3+] ZINC001205993142 969221844 /nfs/dbraw/zinc/22/18/44/969221844.db2.gz HIFURAUWABYOMJ-STQMWFEESA-N 2 1 233.359 1.888 20 0 BDADMP C[N@@H+]1CC=C(Nc2cc[nH+]c(CO)c2)CC1 ZINC001208795116 969245810 /nfs/dbraw/zinc/24/58/10/969245810.db2.gz WTPLSLHJWCMQQT-UHFFFAOYSA-N 2 1 219.288 1.205 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCC[C@H]1C[NH3+] ZINC001205994853 969246742 /nfs/dbraw/zinc/24/67/42/969246742.db2.gz MNQSUPRMGVJSQV-YPMHNXCESA-N 2 1 249.358 1.594 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](NC[C@H]1CC[N@H+](C)C1)C2 ZINC001169095743 969383366 /nfs/dbraw/zinc/38/33/66/969383366.db2.gz SKOIKEPDOLOTMF-SYQHCUMBSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095743 969383370 /nfs/dbraw/zinc/38/33/70/969383370.db2.gz SKOIKEPDOLOTMF-SYQHCUMBSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095743 969383375 /nfs/dbraw/zinc/38/33/75/969383375.db2.gz SKOIKEPDOLOTMF-SYQHCUMBSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C2 ZINC001169095743 969383384 /nfs/dbraw/zinc/38/33/84/969383384.db2.gz SKOIKEPDOLOTMF-SYQHCUMBSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CC[N@H+](C)C1)C2 ZINC001169095743 969383391 /nfs/dbraw/zinc/38/33/91/969383391.db2.gz SKOIKEPDOLOTMF-SYQHCUMBSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169095743 969383395 /nfs/dbraw/zinc/38/33/95/969383395.db2.gz SKOIKEPDOLOTMF-SYQHCUMBSA-N 3 1 237.391 1.153 20 0 BDADMP C[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095743 969383400 /nfs/dbraw/zinc/38/34/00/969383400.db2.gz SKOIKEPDOLOTMF-SYQHCUMBSA-N 3 1 237.391 1.153 20 0 BDADMP Cc1nccn1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096020 969386041 /nfs/dbraw/zinc/38/60/41/969386041.db2.gz UFCMEQGVYUJDKI-BTTYYORXSA-N 2 1 248.374 1.406 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078826 969397074 /nfs/dbraw/zinc/39/70/74/969397074.db2.gz HSNPCPNFRQDGOP-XHJNMGKDSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C2 ZINC001169080324 969402609 /nfs/dbraw/zinc/40/26/09/969402609.db2.gz MNNKQLLBQOYZIH-NZEXEKPDSA-N 2 1 224.348 1.115 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccnc1C[NH3+])C2 ZINC001169080363 969404615 /nfs/dbraw/zinc/40/46/15/969404615.db2.gz MUMPJPLNSZNPRW-URLYPYJESA-N 2 1 220.320 1.140 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccnc1CC[NH3+])C2 ZINC001169091399 969409635 /nfs/dbraw/zinc/40/96/35/969409635.db2.gz QCKYPHIDQOOIDY-ZSBIGDGJSA-N 2 1 234.347 1.182 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCn1cccc1)C2 ZINC001169091274 969410089 /nfs/dbraw/zinc/41/00/89/969410089.db2.gz QAUAOHWVCAMADG-BTTYYORXSA-N 2 1 233.359 1.703 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(C)(C)C1)C2 ZINC001169126587 969432954 /nfs/dbraw/zinc/43/29/54/969432954.db2.gz WVWGBVIVGBQBHP-ZSBIGDGJSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126784 969433800 /nfs/dbraw/zinc/43/38/00/969433800.db2.gz XPKOHCMWHSJTIP-FVCCEPFGSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126784 969433802 /nfs/dbraw/zinc/43/38/02/969433802.db2.gz XPKOHCMWHSJTIP-FVCCEPFGSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126784 969433806 /nfs/dbraw/zinc/43/38/06/969433806.db2.gz XPKOHCMWHSJTIP-FVCCEPFGSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001169126721 969434095 /nfs/dbraw/zinc/43/40/95/969434095.db2.gz WZGBSMVVZCKLGF-DGTMBMJNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@@H]1O ZINC001169126721 969434100 /nfs/dbraw/zinc/43/41/00/969434100.db2.gz WZGBSMVVZCKLGF-DGTMBMJNSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@@H]1O ZINC001169126721 969434103 /nfs/dbraw/zinc/43/41/03/969434103.db2.gz WZGBSMVVZCKLGF-DGTMBMJNSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC13COC3)C2 ZINC001169140341 969435966 /nfs/dbraw/zinc/43/59/66/969435966.db2.gz JJDNJXQIEYMPCW-CLLJXQQHSA-N 2 1 236.359 1.476 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC13COC3)C2 ZINC001169140341 969435977 /nfs/dbraw/zinc/43/59/77/969435977.db2.gz JJDNJXQIEYMPCW-CLLJXQQHSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC13COC3)C2 ZINC001169140341 969435984 /nfs/dbraw/zinc/43/59/84/969435984.db2.gz JJDNJXQIEYMPCW-CLLJXQQHSA-N 2 1 236.359 1.476 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC13COC3)C2 ZINC001169140341 969435995 /nfs/dbraw/zinc/43/59/95/969435995.db2.gz JJDNJXQIEYMPCW-CLLJXQQHSA-N 2 1 236.359 1.476 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(CO)CC1)C2 ZINC001169131619 969440701 /nfs/dbraw/zinc/44/07/01/969440701.db2.gz WNHNXJJQFPIEBO-WDNDVIMCSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cccc1CC[NH3+])C2 ZINC001169107180 969443793 /nfs/dbraw/zinc/44/37/93/969443793.db2.gz FTVXYFGXNBCFKA-WDNDVIMCSA-N 2 1 233.359 1.787 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC(=O)C1)C2 ZINC001169107475 969444674 /nfs/dbraw/zinc/44/46/74/969444674.db2.gz HRQFPOLKRKLUTI-LPWJVIDDSA-N 2 1 236.359 1.713 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC(=O)C1)C2 ZINC001169107475 969444679 /nfs/dbraw/zinc/44/46/79/969444679.db2.gz HRQFPOLKRKLUTI-LPWJVIDDSA-N 2 1 236.359 1.713 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCC(=O)C1)C2 ZINC001169107476 969446508 /nfs/dbraw/zinc/44/65/08/969446508.db2.gz HRQFPOLKRKLUTI-RVMXOQNASA-N 2 1 236.359 1.713 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCC(=O)C1)C2 ZINC001169107476 969446520 /nfs/dbraw/zinc/44/65/20/969446520.db2.gz HRQFPOLKRKLUTI-RVMXOQNASA-N 2 1 236.359 1.713 20 0 BDADMP CN1CC[C@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001169148447 969464251 /nfs/dbraw/zinc/46/42/51/969464251.db2.gz ZFKTZPOHGJZLSO-SBJFKYEJSA-N 2 1 249.402 1.248 20 0 BDADMP CN1CC[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001169148447 969464262 /nfs/dbraw/zinc/46/42/62/969464262.db2.gz ZFKTZPOHGJZLSO-SBJFKYEJSA-N 2 1 249.402 1.248 20 0 BDADMP CN1CC[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001169148447 969464271 /nfs/dbraw/zinc/46/42/71/969464271.db2.gz ZFKTZPOHGJZLSO-SBJFKYEJSA-N 2 1 249.402 1.248 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@@H]3CC[N@@H+](C)[C@@H]3C1)C2 ZINC001169148447 969464296 /nfs/dbraw/zinc/46/42/96/969464296.db2.gz ZFKTZPOHGJZLSO-SBJFKYEJSA-N 2 1 249.402 1.248 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@@H]3CC[N@H+](C)[C@@H]3C1)C2 ZINC001169148447 969464303 /nfs/dbraw/zinc/46/43/03/969464303.db2.gz ZFKTZPOHGJZLSO-SBJFKYEJSA-N 2 1 249.402 1.248 20 0 BDADMP C[NH+]1CC[C@H]2CN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001169148447 969464307 /nfs/dbraw/zinc/46/43/07/969464307.db2.gz ZFKTZPOHGJZLSO-SBJFKYEJSA-N 2 1 249.402 1.248 20 0 BDADMP C[NH+]1CC[C@H]2CN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001169148447 969464312 /nfs/dbraw/zinc/46/43/12/969464312.db2.gz ZFKTZPOHGJZLSO-SBJFKYEJSA-N 2 1 249.402 1.248 20 0 BDADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209410718 969474549 /nfs/dbraw/zinc/47/45/49/969474549.db2.gz ADYLKDWPPRQPES-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209410718 969474561 /nfs/dbraw/zinc/47/45/61/969474561.db2.gz ADYLKDWPPRQPES-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209410718 969474576 /nfs/dbraw/zinc/47/45/76/969474576.db2.gz ADYLKDWPPRQPES-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209410718 969474581 /nfs/dbraw/zinc/47/45/81/969474581.db2.gz ADYLKDWPPRQPES-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP C[N@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCCOC1 ZINC001169160888 969477920 /nfs/dbraw/zinc/47/79/20/969477920.db2.gz MGHIVTCZMGFTMD-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCOC1 ZINC001169160888 969477935 /nfs/dbraw/zinc/47/79/35/969477935.db2.gz MGHIVTCZMGFTMD-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCOC1 ZINC001169160888 969477948 /nfs/dbraw/zinc/47/79/48/969477948.db2.gz MGHIVTCZMGFTMD-RFQIPJPRSA-N 2 1 238.375 1.722 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209410395 969479243 /nfs/dbraw/zinc/47/92/43/969479243.db2.gz OHAOKAOFFZMCOW-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169161132 969479582 /nfs/dbraw/zinc/47/95/82/969479582.db2.gz OMHKKHCJGWUWSU-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169161132 969479590 /nfs/dbraw/zinc/47/95/90/969479590.db2.gz OMHKKHCJGWUWSU-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169161132 969479594 /nfs/dbraw/zinc/47/95/94/969479594.db2.gz OMHKKHCJGWUWSU-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP CC[NH+]1CCC([NH2+]C(C)(C)COC)CC1 ZINC001169224256 969494189 /nfs/dbraw/zinc/49/41/89/969494189.db2.gz GTKAIOWBZOIBDR-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP C(C[N@H+]1C[C@@H]2CCO[C@@H]2C1)C[NH+]1CCCCC1 ZINC001209450339 969519413 /nfs/dbraw/zinc/51/94/13/969519413.db2.gz GOZDACLKWUSDKQ-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP CC[N@H+](C1CCOCC1)C1CC[NH+](CC)CC1 ZINC001169258756 969542831 /nfs/dbraw/zinc/54/28/31/969542831.db2.gz QOCCBRQQRANMOC-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@@H+](C1CCOCC1)C1CC[NH+](CC)CC1 ZINC001169258756 969542839 /nfs/dbraw/zinc/54/28/39/969542839.db2.gz QOCCBRQQRANMOC-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CCOC2)CC1 ZINC001209728848 969582278 /nfs/dbraw/zinc/58/22/78/969582278.db2.gz VYJOCEACETWQKU-UHFFFAOYSA-N 2 1 247.342 1.497 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001209729201 969587229 /nfs/dbraw/zinc/58/72/29/969587229.db2.gz HKXLELMASIUSIB-NSHDSACASA-N 2 1 223.295 1.818 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H](F)CC1 ZINC001209729201 969587237 /nfs/dbraw/zinc/58/72/37/969587237.db2.gz HKXLELMASIUSIB-NSHDSACASA-N 2 1 223.295 1.818 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001209728890 969587337 /nfs/dbraw/zinc/58/73/37/969587337.db2.gz XSLQIIJBPSDKGZ-SMDDNHRTSA-N 2 1 247.342 1.495 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001209728890 969587346 /nfs/dbraw/zinc/58/73/46/969587346.db2.gz XSLQIIJBPSDKGZ-SMDDNHRTSA-N 2 1 247.342 1.495 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733021 969592196 /nfs/dbraw/zinc/59/21/96/969592196.db2.gz OYOWIZDCTCEUOQ-RISCZKNCSA-N 2 1 246.358 1.020 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001209738315 969599347 /nfs/dbraw/zinc/59/93/47/969599347.db2.gz YGKHCXHOQSMJDA-RTCCRHLQSA-N 2 1 221.279 1.141 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001209738315 969599361 /nfs/dbraw/zinc/59/93/61/969599361.db2.gz YGKHCXHOQSMJDA-RTCCRHLQSA-N 2 1 221.279 1.141 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCCOC1)C2 ZINC001254388583 969607988 /nfs/dbraw/zinc/60/79/88/969607988.db2.gz FDARQYYJZAYSJU-JHJVBQTASA-N 2 1 224.348 1.049 20 0 BDADMP Cc1cc(C[NH3+])nn1[C@H]1CCC[N@H+](C)CC1 ZINC001254499938 969657257 /nfs/dbraw/zinc/65/72/57/969657257.db2.gz QKBZQNFDNCVKGG-LBPRGKRZSA-N 2 1 222.336 1.307 20 0 BDADMP Cc1ncn([C@H]2CCC[N@H+](C)CC2)c1CC[NH3+] ZINC001254500133 969658577 /nfs/dbraw/zinc/65/85/77/969658577.db2.gz FUIHQUFJMDZNQT-LBPRGKRZSA-N 2 1 236.363 1.350 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C2COC(C)(C)OC2)CC1 ZINC001254506409 969670907 /nfs/dbraw/zinc/67/09/07/969670907.db2.gz RTXMYQQKMRMXSR-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCc2cncs2)CC1 ZINC001254504486 969676578 /nfs/dbraw/zinc/67/65/78/969676578.db2.gz BYTDBCGBWXBBMH-NSHDSACASA-N 2 1 239.388 1.760 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@]2(C)CCCOC2)CC1 ZINC001254514533 969690559 /nfs/dbraw/zinc/69/05/59/969690559.db2.gz MCBIJFVSBLLFCD-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP CN(CCC[NH+](C)C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515662 969691980 /nfs/dbraw/zinc/69/19/80/969691980.db2.gz ANFWSZGCQKNVCY-CYBMUJFWSA-N 2 1 227.396 1.354 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@]3(CCOC3)C2)CC1 ZINC001254518519 969696971 /nfs/dbraw/zinc/69/69/71/969696971.db2.gz BVDXJATUMKLJJR-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001254518519 969696978 /nfs/dbraw/zinc/69/69/78/969696978.db2.gz BVDXJATUMKLJJR-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001254518519 969696984 /nfs/dbraw/zinc/69/69/84/969696984.db2.gz BVDXJATUMKLJJR-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC(c3cccnc3)C2)CC1 ZINC001254526636 969717931 /nfs/dbraw/zinc/71/79/31/969717931.db2.gz SGVWKNROWDYGRZ-HNNXBMFYSA-N 2 1 245.370 1.965 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC(c3cccnc3)C2)CC1 ZINC001254526636 969717932 /nfs/dbraw/zinc/71/79/32/969717932.db2.gz SGVWKNROWDYGRZ-HNNXBMFYSA-N 2 1 245.370 1.965 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001254529835 969730348 /nfs/dbraw/zinc/73/03/48/969730348.db2.gz RKWBQGLGVQHSEJ-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001254529835 969730353 /nfs/dbraw/zinc/73/03/53/969730353.db2.gz RKWBQGLGVQHSEJ-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001254529835 969730362 /nfs/dbraw/zinc/73/03/62/969730362.db2.gz RKWBQGLGVQHSEJ-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CCC[NH+](C)CC2)[C@H](C)C1 ZINC001254531168 969732434 /nfs/dbraw/zinc/73/24/34/969732434.db2.gz FNQAIIHYPJCOTJ-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@H+](C)CC2)[C@H](C)C1 ZINC001254531168 969732444 /nfs/dbraw/zinc/73/24/44/969732444.db2.gz FNQAIIHYPJCOTJ-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)CC2)[C@H](C)C1 ZINC001254531168 969732448 /nfs/dbraw/zinc/73/24/48/969732448.db2.gz FNQAIIHYPJCOTJ-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CN([C@H]1CC[N@@H+](C)C1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254859130 969810766 /nfs/dbraw/zinc/81/07/66/969810766.db2.gz BVDIFLXHDVKWDS-UONOGXRCSA-N 2 1 237.391 1.107 20 0 BDADMP C1C[NH+](C2CC[NH+](C3CCOCC3)CC2)C1 ZINC001255046439 969866860 /nfs/dbraw/zinc/86/68/60/969866860.db2.gz VGJIXGHINUKKDN-UHFFFAOYSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCSC3)C2)C1 ZINC001255291719 970053831 /nfs/dbraw/zinc/05/38/31/970053831.db2.gz YCTUPOAODLFPAV-NEPJUHHUSA-N 2 1 226.389 1.520 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCSC3)C2)C1 ZINC001255291719 970053839 /nfs/dbraw/zinc/05/38/39/970053839.db2.gz YCTUPOAODLFPAV-NEPJUHHUSA-N 2 1 226.389 1.520 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCSC3)C2)C1 ZINC001255291719 970053848 /nfs/dbraw/zinc/05/38/48/970053848.db2.gz YCTUPOAODLFPAV-NEPJUHHUSA-N 2 1 226.389 1.520 20 0 BDADMP CCCC[C@H](C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001255314892 970087044 /nfs/dbraw/zinc/08/70/44/970087044.db2.gz XDVBGPBQNRETMH-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CC(C)CCC[C@H](C)[N@H+](CC[NH3+])CCO ZINC001170057520 970101145 /nfs/dbraw/zinc/10/11/45/970101145.db2.gz KZILIUBHHZXFKE-LBPRGKRZSA-N 2 1 216.369 1.454 20 0 BDADMP CC(C)CCC[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001170057520 970101151 /nfs/dbraw/zinc/10/11/51/970101151.db2.gz KZILIUBHHZXFKE-LBPRGKRZSA-N 2 1 216.369 1.454 20 0 BDADMP C[N@H+]1CC[C@@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001255412331 970131183 /nfs/dbraw/zinc/13/11/83/970131183.db2.gz NEHQXAWGKQKQJL-SECBINFHSA-N 2 1 223.295 1.400 20 0 BDADMP C[N@@H+]1CC[C@@H](NC(=[NH2+])c2cc(F)cc(F)c2)C1 ZINC001255413085 970135412 /nfs/dbraw/zinc/13/54/12/970135412.db2.gz WZPAZXSYKBBQOF-LLVKDONJSA-N 2 1 239.269 1.584 20 0 BDADMP C[N@H+]1CC[C@@H](NC(=[NH2+])c2cc(F)cc(F)c2)C1 ZINC001255413085 970135418 /nfs/dbraw/zinc/13/54/18/970135418.db2.gz WZPAZXSYKBBQOF-LLVKDONJSA-N 2 1 239.269 1.584 20 0 BDADMP C[NH2+]Cc1cccc(N[C@H]2CC[N@@H+](C)C2)c1 ZINC001255438423 970171827 /nfs/dbraw/zinc/17/18/27/970171827.db2.gz LVQLFEVUMKNPIC-ZDUSSCGKSA-N 2 1 219.332 1.522 20 0 BDADMP C[N@@H+](C1CC1)C1CCN([C@@H]2CC[NH+](C)C2)CC1 ZINC001255445347 970181766 /nfs/dbraw/zinc/18/17/66/970181766.db2.gz UQFJJFOMCKXKPR-CQSZACIVSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)C1CCN([C@@H]2CC[N@H+](C)C2)CC1 ZINC001255445347 970181773 /nfs/dbraw/zinc/18/17/73/970181773.db2.gz UQFJJFOMCKXKPR-CQSZACIVSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+](C1CC1)C1CCN([C@@H]2CC[N@@H+](C)C2)CC1 ZINC001255445347 970181777 /nfs/dbraw/zinc/18/17/77/970181777.db2.gz UQFJJFOMCKXKPR-CQSZACIVSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]([NH3+])c1ccn([C@H]2CCC[N@@H+](C)C2)n1 ZINC001255471836 970193651 /nfs/dbraw/zinc/19/36/51/970193651.db2.gz HUYBLKQSSORFEY-ZJUUUORDSA-N 2 1 208.309 1.170 20 0 BDADMP CCCC[N@H+](CC)CCN[C@H]1CCC[NH+](C)C1 ZINC001255467584 970196294 /nfs/dbraw/zinc/19/62/94/970196294.db2.gz FHJMDUJHKDYYGS-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@H]1CCC[NH+](C)C1 ZINC001255467584 970196299 /nfs/dbraw/zinc/19/62/99/970196299.db2.gz FHJMDUJHKDYYGS-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](CC)CCN[C@H]1CCC[N@H+](C)C1 ZINC001255467584 970196306 /nfs/dbraw/zinc/19/63/06/970196306.db2.gz FHJMDUJHKDYYGS-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[NH+](CC)CCN[C@H]1CCC[N@@H+](C)C1 ZINC001255467584 970196307 /nfs/dbraw/zinc/19/63/07/970196307.db2.gz FHJMDUJHKDYYGS-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001255490385 970241333 /nfs/dbraw/zinc/24/13/33/970241333.db2.gz VGCDZLJLVKEJHP-STQMWFEESA-N 2 1 248.374 1.617 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCOC(C)(C)C1 ZINC001255527365 970290377 /nfs/dbraw/zinc/29/03/77/970290377.db2.gz KNEZLPLGWPNWLF-NSHDSACASA-N 2 1 237.347 1.823 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170103494 970299934 /nfs/dbraw/zinc/29/99/34/970299934.db2.gz GEPHNQNFSHZOGR-UTUOFQBUSA-N 2 1 242.363 1.435 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001255562938 970350572 /nfs/dbraw/zinc/35/05/72/970350572.db2.gz PWANVSSIAHQRJT-GFCCVEGCSA-N 2 1 249.358 1.366 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001255582993 970388418 /nfs/dbraw/zinc/38/84/18/970388418.db2.gz GMXSDQIUXLMDHH-TUAOUCFPSA-N 2 1 212.337 1.047 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662718 970445506 /nfs/dbraw/zinc/44/55/06/970445506.db2.gz RGHTWCDQEWJELE-XYTAGDGMSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662718 970445510 /nfs/dbraw/zinc/44/55/10/970445510.db2.gz RGHTWCDQEWJELE-XYTAGDGMSA-N 2 1 208.349 2.000 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])CCO1 ZINC001170163766 970515830 /nfs/dbraw/zinc/51/58/30/970515830.db2.gz ALCQJIXXKOVUIS-UWVGGRQHSA-N 2 1 200.326 1.271 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000400474680 970594146 /nfs/dbraw/zinc/59/41/46/970594146.db2.gz ZHRMWFBRBHFVQZ-LLVKDONJSA-N 3 1 225.380 1.058 20 0 BDADMP FC(F)(F)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000304455872 970595257 /nfs/dbraw/zinc/59/52/57/970595257.db2.gz WXVVQMJOKWLPBM-JTQLQIEISA-N 2 1 236.281 1.870 20 0 BDADMP OCC1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC001256069454 970636943 /nfs/dbraw/zinc/63/69/43/970636943.db2.gz DJUSZMZZGLNYCB-UHFFFAOYSA-N 2 1 224.348 1.118 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CCCO1 ZINC001256073331 970639084 /nfs/dbraw/zinc/63/90/84/970639084.db2.gz RLLFFCMUIGRQAI-GFCCVEGCSA-N 2 1 238.375 1.724 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CCCO1 ZINC001256073331 970639095 /nfs/dbraw/zinc/63/90/95/970639095.db2.gz RLLFFCMUIGRQAI-GFCCVEGCSA-N 2 1 238.375 1.724 20 0 BDADMP CCCC[N@@H+](C)CCCNC1CC[NH+](C)CC1 ZINC001256194677 970683998 /nfs/dbraw/zinc/68/39/98/970683998.db2.gz LMTIPFJWGKTILY-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[N@H+](C)CCC[NH2+]C1CCN(C)CC1 ZINC001256194677 970684006 /nfs/dbraw/zinc/68/40/06/970684006.db2.gz LMTIPFJWGKTILY-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+]C1CCN(C)CC1 ZINC001256194677 970684017 /nfs/dbraw/zinc/68/40/17/970684017.db2.gz LMTIPFJWGKTILY-UHFFFAOYSA-N 2 1 241.423 1.792 20 0 BDADMP C[NH+]1CCC([NH2+]CC23CC[NH+](CC2)CC3)CC1 ZINC001256197347 970688599 /nfs/dbraw/zinc/68/85/99/970688599.db2.gz HFLUWCIYNPDUOC-UHFFFAOYSA-N 3 1 237.391 1.156 20 0 BDADMP COc1cnccc1CC[NH2+]C1CC[NH+](C)CC1 ZINC001256201260 970697439 /nfs/dbraw/zinc/69/74/39/970697439.db2.gz AUDNNZNNCBUSMX-UHFFFAOYSA-N 2 1 249.358 1.317 20 0 BDADMP CN1CCC([N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001256207278 970710523 /nfs/dbraw/zinc/71/05/23/970710523.db2.gz FWTMFOVWVXEFKQ-CQSZACIVSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001256207278 970710537 /nfs/dbraw/zinc/71/05/37/970710537.db2.gz FWTMFOVWVXEFKQ-CQSZACIVSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001256207278 970710546 /nfs/dbraw/zinc/71/05/46/970710546.db2.gz FWTMFOVWVXEFKQ-CQSZACIVSA-N 2 1 245.370 1.965 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]CC1(O)CCCCC1 ZINC000401775761 970730005 /nfs/dbraw/zinc/73/00/05/970730005.db2.gz MSRMVJSRUDHPKK-UHFFFAOYSA-N 2 1 237.347 1.247 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246541446 972562023 /nfs/dbraw/zinc/56/20/23/972562023.db2.gz YUAXZHZQJRJBBU-SCRDCRAPSA-N 2 1 233.359 1.824 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246541446 972562034 /nfs/dbraw/zinc/56/20/34/972562034.db2.gz YUAXZHZQJRJBBU-SCRDCRAPSA-N 2 1 233.359 1.824 20 0 BDADMP CCc1nn(C)cc1C[NH2+]CC[C@H](C)[NH2+]C ZINC001327414446 972569803 /nfs/dbraw/zinc/56/98/03/972569803.db2.gz CBGAIGWJVOQUNS-JTQLQIEISA-N 2 1 224.352 1.070 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC001246542523 972584938 /nfs/dbraw/zinc/58/49/38/972584938.db2.gz QBENWURXWAKFGV-QCNOEVLYSA-N 2 1 212.337 1.081 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246543607 972601204 /nfs/dbraw/zinc/60/12/04/972601204.db2.gz UYSXYBCGUWJJJO-FRRDWIJNSA-N 2 1 226.364 1.757 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000125139491 972665434 /nfs/dbraw/zinc/66/54/34/972665434.db2.gz JRCSPFCDEYIWIL-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001327710483 972710774 /nfs/dbraw/zinc/71/07/74/972710774.db2.gz GIGZFWGEWTXHGL-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001327710483 972710782 /nfs/dbraw/zinc/71/07/82/972710782.db2.gz GIGZFWGEWTXHGL-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001327710483 972710793 /nfs/dbraw/zinc/71/07/93/972710793.db2.gz GIGZFWGEWTXHGL-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCCOCC2)CCC1(F)F ZINC001246553712 972743718 /nfs/dbraw/zinc/74/37/18/972743718.db2.gz BXTBTPLJROKTBQ-WDEREUQCSA-N 2 1 248.317 1.471 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC[NH2+]1 ZINC001246566036 972807252 /nfs/dbraw/zinc/80/72/52/972807252.db2.gz RJPDQIQJFHSFCG-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCCNC2)CCC[C@@H]1C[NH3+] ZINC001246567393 972818342 /nfs/dbraw/zinc/81/83/42/972818342.db2.gz KSKRDEMTNJDAHI-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCNC2)CCC[C@@H]1C[NH3+] ZINC001246567393 972818344 /nfs/dbraw/zinc/81/83/44/972818344.db2.gz KSKRDEMTNJDAHI-UPJWGTAASA-N 2 1 225.380 1.045 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CC[C@@H](C)[C@@H](N)C2)CC1 ZINC001246566867 972819460 /nfs/dbraw/zinc/81/94/60/972819460.db2.gz JOKWJAKSWIMPOV-XVSSEFHLSA-N 2 1 225.380 1.186 20 0 BDADMP C[NH2+]C1CCC(N2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001246566867 972819463 /nfs/dbraw/zinc/81/94/63/972819463.db2.gz JOKWJAKSWIMPOV-XVSSEFHLSA-N 2 1 225.380 1.186 20 0 BDADMP CN1CC[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246571326 972849717 /nfs/dbraw/zinc/84/97/17/972849717.db2.gz BEZMXSIUPLVSPE-OLZOCXBDSA-N 2 1 225.380 1.141 20 0 BDADMP O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1F ZINC001246572911 972860700 /nfs/dbraw/zinc/86/07/00/972860700.db2.gz DPDGYIHCEKHQEF-RSMQCKGYSA-N 2 1 242.338 1.064 20 0 BDADMP O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1F ZINC001246572865 972861156 /nfs/dbraw/zinc/86/11/56/972861156.db2.gz DPDGYIHCEKHQEF-KTCIRNNBSA-N 2 1 242.338 1.064 20 0 BDADMP O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1F ZINC001246572889 972862893 /nfs/dbraw/zinc/86/28/93/972862893.db2.gz DPDGYIHCEKHQEF-NRUFJFEESA-N 2 1 242.338 1.064 20 0 BDADMP CN(Cc1[nH+]cn2ccccc12)[C@H]1CC[N@H+](C)C1 ZINC001144622885 972895011 /nfs/dbraw/zinc/89/50/11/972895011.db2.gz PDOQSOFLKIUTAH-LBPRGKRZSA-N 2 1 244.342 1.470 20 0 BDADMP CN(Cc1[nH+]cn2ccccc12)[C@H]1CC[N@@H+](C)C1 ZINC001144622885 972895015 /nfs/dbraw/zinc/89/50/15/972895015.db2.gz PDOQSOFLKIUTAH-LBPRGKRZSA-N 2 1 244.342 1.470 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579276 972919460 /nfs/dbraw/zinc/91/94/60/972919460.db2.gz UAQNBBQHRXTQQA-MJBXVCDLSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]1C[C@@H](CF)[N@H+](C2CC[NH2+]CC2)C1 ZINC001246580884 972936819 /nfs/dbraw/zinc/93/68/19/972936819.db2.gz OCAMGUIZZPWAKF-ONGXEEELSA-N 2 1 200.301 1.418 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@H]1O ZINC001246581192 972940350 /nfs/dbraw/zinc/94/03/50/972940350.db2.gz YFNQYHPLOJOHJC-BEUHCMRWSA-N 2 1 238.375 1.362 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581958 972944427 /nfs/dbraw/zinc/94/44/27/972944427.db2.gz LRZIFFKFDJWGQI-STQMWFEESA-N 3 1 239.407 1.578 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581958 972944467 /nfs/dbraw/zinc/94/44/67/972944467.db2.gz LRZIFFKFDJWGQI-STQMWFEESA-N 3 1 239.407 1.578 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246581345 972946157 /nfs/dbraw/zinc/94/61/57/972946157.db2.gz JEBXRSMYDNDRSW-FUDCBSFHSA-N 2 1 236.359 1.533 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CCO1 ZINC001246584221 972957636 /nfs/dbraw/zinc/95/76/36/972957636.db2.gz TWZWUSTYZDPACN-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589918 972990124 /nfs/dbraw/zinc/99/01/24/972990124.db2.gz GNZKRAHJJXCWBR-YNEHKIRRSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589918 972990127 /nfs/dbraw/zinc/99/01/27/972990127.db2.gz GNZKRAHJJXCWBR-YNEHKIRRSA-N 3 1 225.380 1.188 20 0 BDADMP C1C[NH2+]C[C@@H]([NH+]2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246627717 973044022 /nfs/dbraw/zinc/04/40/22/973044022.db2.gz WPHCJOSAVXFIDN-ZDUSSCGKSA-N 3 1 237.391 1.204 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670082 973075333 /nfs/dbraw/zinc/07/53/33/973075333.db2.gz WFFAZSYEPLDAFS-ZDCRXTMVSA-N 2 1 246.301 1.093 20 0 BDADMP CC(C)[C@@H]1COCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246837092 973140432 /nfs/dbraw/zinc/14/04/32/973140432.db2.gz QHRCORWEKDLVPN-PIGZVRMJSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246837092 973140441 /nfs/dbraw/zinc/14/04/41/973140441.db2.gz QHRCORWEKDLVPN-PIGZVRMJSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246837094 973144583 /nfs/dbraw/zinc/14/45/83/973144583.db2.gz QHRCORWEKDLVPN-QNMSZWNNSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246837094 973144603 /nfs/dbraw/zinc/14/46/03/973144603.db2.gz QHRCORWEKDLVPN-QNMSZWNNSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H](N2CC3(C2)CCC[NH2+]CC3)CC[NH2+]1 ZINC001246853837 973158609 /nfs/dbraw/zinc/15/86/09/973158609.db2.gz LRTGHJFATGHKJC-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@H]1C[C@@H]3CC(=O)C[C@@H]3C1)C2 ZINC001246864934 973202616 /nfs/dbraw/zinc/20/26/16/973202616.db2.gz WVWWNKDGXQJQJU-XJGUIPMBSA-N 2 1 234.343 1.167 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1C[C@@H]3CC(=O)C[C@@H]3C1)C2 ZINC001246864934 973202630 /nfs/dbraw/zinc/20/26/30/973202630.db2.gz WVWWNKDGXQJQJU-XJGUIPMBSA-N 2 1 234.343 1.167 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246875218 973270119 /nfs/dbraw/zinc/27/01/19/973270119.db2.gz XYAHSZUSPRIJAE-OFTGVCEQSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246875218 973270130 /nfs/dbraw/zinc/27/01/30/973270130.db2.gz XYAHSZUSPRIJAE-OFTGVCEQSA-N 2 1 208.349 1.844 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246875727 973312043 /nfs/dbraw/zinc/31/20/43/973312043.db2.gz LIWMOJBHNZBWTM-VJBQPNPTSA-N 2 1 238.375 1.769 20 0 BDADMP C[NH+](C)Cc1ccc2nc(CCC[NH3+])[nH]c2c1 ZINC001247018404 973796101 /nfs/dbraw/zinc/79/61/01/973796101.db2.gz ACIUQPVFCHHKLD-UHFFFAOYSA-N 2 1 232.331 1.516 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017139 973800514 /nfs/dbraw/zinc/80/05/14/973800514.db2.gz ZVSNLINUDRTWSX-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247017139 973800517 /nfs/dbraw/zinc/80/05/17/973800517.db2.gz ZVSNLINUDRTWSX-XJFOESAGSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cc(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc(C)[nH+]1 ZINC001329939839 974046525 /nfs/dbraw/zinc/04/65/25/974046525.db2.gz VZNBIMQUUWJUKJ-QWRGUYRKSA-N 2 1 248.330 1.074 20 0 BDADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](O)C2)CC1(C)C ZINC001171629849 974108541 /nfs/dbraw/zinc/10/85/41/974108541.db2.gz XBYIVFHPYLCFPU-GFCCVEGCSA-N 2 1 240.391 1.704 20 0 BDADMP [NH3+]CC1([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171790341 974177040 /nfs/dbraw/zinc/17/70/40/974177040.db2.gz JDGFRBZYUIPTCC-SNVBAGLBSA-N 2 1 220.291 1.374 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)CC[C@H]1F ZINC001206153688 974221796 /nfs/dbraw/zinc/22/17/96/974221796.db2.gz DRXWTROQUSWGNT-QJPTWQEYSA-N 2 1 228.311 1.440 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCC=CO2)CC[C@H]1F ZINC001206153688 974221814 /nfs/dbraw/zinc/22/18/14/974221814.db2.gz DRXWTROQUSWGNT-QJPTWQEYSA-N 2 1 228.311 1.440 20 0 BDADMP CS[C@H](C)CC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154430 974330774 /nfs/dbraw/zinc/33/07/74/974330774.db2.gz IZUCEUBRWCJOEC-MXWKQRLJSA-N 2 1 234.384 1.889 20 0 BDADMP CS[C@H](C)CC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154430 974330784 /nfs/dbraw/zinc/33/07/84/974330784.db2.gz IZUCEUBRWCJOEC-MXWKQRLJSA-N 2 1 234.384 1.889 20 0 BDADMP N[C@@H]1CC[N@@H+](CCC2CCOCC2)CC[C@@H]1F ZINC001206156801 974331441 /nfs/dbraw/zinc/33/14/41/974331441.db2.gz SXFZZEBAXJZJAX-QWHCGFSZSA-N 2 1 244.354 1.564 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC2CCOCC2)CC[C@@H]1F ZINC001206156801 974331447 /nfs/dbraw/zinc/33/14/47/974331447.db2.gz SXFZZEBAXJZJAX-QWHCGFSZSA-N 2 1 244.354 1.564 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC2CCOCC2)CC[C@@H]1F ZINC001206156801 974331458 /nfs/dbraw/zinc/33/14/58/974331458.db2.gz SXFZZEBAXJZJAX-QWHCGFSZSA-N 2 1 244.354 1.564 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172101796 974362215 /nfs/dbraw/zinc/36/22/15/974362215.db2.gz BFQQHDWOFMKXMW-WZNRFSEPSA-N 2 1 238.375 1.769 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172101796 974362218 /nfs/dbraw/zinc/36/22/18/974362218.db2.gz BFQQHDWOFMKXMW-WZNRFSEPSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@]1(C)C[C@H](O)C1)C2 ZINC001172107907 974367776 /nfs/dbraw/zinc/36/77/76/974367776.db2.gz LMOCKPNFNIPVQN-DPFGLZSQSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@]1(C)C[C@H](O)C1)C2 ZINC001172107907 974367782 /nfs/dbraw/zinc/36/77/82/974367782.db2.gz LMOCKPNFNIPVQN-DPFGLZSQSA-N 2 1 238.375 1.505 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103750 974367975 /nfs/dbraw/zinc/36/79/75/974367975.db2.gz XKLOFHMZWKHTNX-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1COC[C@@H]1F)C2 ZINC001172108981 974373219 /nfs/dbraw/zinc/37/32/19/974373219.db2.gz GAHMAURBBIDEJD-WJTVCTBASA-N 2 1 242.338 1.328 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COC[C@@H]1F)C2 ZINC001172108981 974373226 /nfs/dbraw/zinc/37/32/26/974373226.db2.gz GAHMAURBBIDEJD-WJTVCTBASA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COC[C@@H]1F)C2 ZINC001172108981 974373239 /nfs/dbraw/zinc/37/32/39/974373239.db2.gz GAHMAURBBIDEJD-WJTVCTBASA-N 2 1 242.338 1.328 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119980 974383651 /nfs/dbraw/zinc/38/36/51/974383651.db2.gz IDEZLXSXBAYSQH-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172119980 974383658 /nfs/dbraw/zinc/38/36/58/974383658.db2.gz IDEZLXSXBAYSQH-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119980 974383664 /nfs/dbraw/zinc/38/36/64/974383664.db2.gz IDEZLXSXBAYSQH-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119980 974383675 /nfs/dbraw/zinc/38/36/75/974383675.db2.gz IDEZLXSXBAYSQH-RKQHYHRCSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@H](C[NH3+])CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113642 974384548 /nfs/dbraw/zinc/38/45/48/974384548.db2.gz DZVLTJTXYQIRTR-LPWJVIDDSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113642 974384561 /nfs/dbraw/zinc/38/45/61/974384561.db2.gz DZVLTJTXYQIRTR-LPWJVIDDSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113642 974384572 /nfs/dbraw/zinc/38/45/72/974384572.db2.gz DZVLTJTXYQIRTR-LPWJVIDDSA-N 3 1 225.380 1.186 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC([NH3+])C1)C2 ZINC001172117574 974386683 /nfs/dbraw/zinc/38/66/83/974386683.db2.gz MUDJFGKRVDKVFP-SSYPOUIUSA-N 2 1 223.364 1.081 20 0 BDADMP C[C@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121028 974388291 /nfs/dbraw/zinc/38/82/91/974388291.db2.gz ODSDQOGAHLNEAA-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121028 974388299 /nfs/dbraw/zinc/38/82/99/974388299.db2.gz ODSDQOGAHLNEAA-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121028 974388309 /nfs/dbraw/zinc/38/83/09/974388309.db2.gz ODSDQOGAHLNEAA-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121028 974388314 /nfs/dbraw/zinc/38/83/14/974388314.db2.gz ODSDQOGAHLNEAA-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1CO)C2 ZINC001172122243 974391023 /nfs/dbraw/zinc/39/10/23/974391023.db2.gz YEBXZCNDMPXGLF-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1CO)C2 ZINC001172122243 974391036 /nfs/dbraw/zinc/39/10/36/974391036.db2.gz YEBXZCNDMPXGLF-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1CO)C2 ZINC001172122243 974391046 /nfs/dbraw/zinc/39/10/46/974391046.db2.gz YEBXZCNDMPXGLF-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1CO)C2 ZINC001172122243 974391056 /nfs/dbraw/zinc/39/10/56/974391056.db2.gz YEBXZCNDMPXGLF-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001206163526 974490127 /nfs/dbraw/zinc/49/01/27/974490127.db2.gz DEMOOEZOKVEPQP-QWHCGFSZSA-N 2 1 238.306 1.653 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163477 974490290 /nfs/dbraw/zinc/49/02/90/974490290.db2.gz CKOFOJUJEYXHPT-NWDGAFQWSA-N 2 1 241.310 1.553 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163477 974490294 /nfs/dbraw/zinc/49/02/94/974490294.db2.gz CKOFOJUJEYXHPT-NWDGAFQWSA-N 2 1 241.310 1.553 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H]1c2ccccc2NC1(C)C ZINC001330832922 974498138 /nfs/dbraw/zinc/49/81/38/974498138.db2.gz VFEJAZAFKOHWDI-SKDRFNHKSA-N 2 1 219.332 1.869 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccncc2)CC[C@@H]1F ZINC001206163721 974512827 /nfs/dbraw/zinc/51/28/27/974512827.db2.gz FCOMRDQRESZRAI-RYUDHWBXSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccncc2)CC[C@@H]1F ZINC001206163721 974512834 /nfs/dbraw/zinc/51/28/34/974512834.db2.gz FCOMRDQRESZRAI-RYUDHWBXSA-N 2 1 223.295 1.343 20 0 BDADMP COCCC[NH+]1CCC([N@H+](C)CC2CC2)CC1 ZINC001172249582 974513560 /nfs/dbraw/zinc/51/35/60/974513560.db2.gz KFXKBLIJWFMBKO-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP COCCC[NH+]1CCC([N@@H+](C)CC2CC2)CC1 ZINC001172249582 974513567 /nfs/dbraw/zinc/51/35/67/974513567.db2.gz KFXKBLIJWFMBKO-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP COCCC[NH+]1CCC([NH+]2CC(C)(C)C2)CC1 ZINC001172249194 974514192 /nfs/dbraw/zinc/51/41/92/974514192.db2.gz FTIINCYFSABRCJ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001172422756 974695706 /nfs/dbraw/zinc/69/57/06/974695706.db2.gz IHUHBBPEIGLIPG-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172422756 974695710 /nfs/dbraw/zinc/69/57/10/974695710.db2.gz IHUHBBPEIGLIPG-AVGNSLFASA-N 2 1 228.380 1.731 20 0 BDADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCC2)CC1(C)C ZINC001331503654 974742435 /nfs/dbraw/zinc/74/24/35/974742435.db2.gz KIJFRQIBUNUFCL-ZDUSSCGKSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCC2)CC1(C)C ZINC001331503654 974742442 /nfs/dbraw/zinc/74/24/42/974742442.db2.gz KIJFRQIBUNUFCL-ZDUSSCGKSA-N 3 1 239.407 1.545 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCC2)CC1(C)C ZINC001331503654 974742449 /nfs/dbraw/zinc/74/24/49/974742449.db2.gz KIJFRQIBUNUFCL-ZDUSSCGKSA-N 3 1 239.407 1.545 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCc2c1cccc2F ZINC001331513333 974746755 /nfs/dbraw/zinc/74/67/55/974746755.db2.gz CALXSQGCZSHMCV-NOZJJQNGSA-N 2 1 238.306 1.064 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1CC[C@H](N)C1 ZINC001172456959 974822301 /nfs/dbraw/zinc/82/23/01/974822301.db2.gz KINPKVSBQSCXEO-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@H](N)C1 ZINC001172456959 974822305 /nfs/dbraw/zinc/82/23/05/974822305.db2.gz KINPKVSBQSCXEO-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001172456959 974822307 /nfs/dbraw/zinc/82/23/07/974822307.db2.gz KINPKVSBQSCXEO-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001172456959 974822310 /nfs/dbraw/zinc/82/23/10/974822310.db2.gz KINPKVSBQSCXEO-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173583 974901205 /nfs/dbraw/zinc/90/12/05/974901205.db2.gz IKGHEKKVVCVLSV-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173583 974901211 /nfs/dbraw/zinc/90/12/11/974901211.db2.gz IKGHEKKVVCVLSV-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206174573 974925216 /nfs/dbraw/zinc/92/52/16/974925216.db2.gz OGPQXZZCJPVBIZ-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206174573 974925220 /nfs/dbraw/zinc/92/52/20/974925220.db2.gz OGPQXZZCJPVBIZ-QWHCGFSZSA-N 2 1 237.322 1.651 20 0 BDADMP CCCOC1CCC([NH2+][C@@H]2C[C@H]2[NH3+])CC1 ZINC001173093341 975018750 /nfs/dbraw/zinc/01/87/50/975018750.db2.gz SBHWFAUNOYPOFN-KIDURHIOSA-N 2 1 212.337 1.413 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(F)n2)C12CCC2 ZINC001332422780 975110684 /nfs/dbraw/zinc/11/06/84/975110684.db2.gz YKSVSKFGSJFDEV-MNOVXSKESA-N 2 1 235.306 1.580 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001173349702 975292784 /nfs/dbraw/zinc/29/27/84/975292784.db2.gz DLBQWEHFCZEBIA-GFCCVEGCSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](NC(C)(C)CC[NH+](C)C)C1 ZINC001173355717 975311234 /nfs/dbraw/zinc/31/12/34/975311234.db2.gz UTKGWRGXSPEARF-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP CCN1CC[C@H]([NH2+]C(C)(C)CC[NH+](C)C)C1 ZINC001173355717 975311237 /nfs/dbraw/zinc/31/12/37/975311237.db2.gz UTKGWRGXSPEARF-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2ccc(C[NH2+]C)cc2)C1 ZINC001173359780 975327881 /nfs/dbraw/zinc/32/78/81/975327881.db2.gz ACNIMIKFFORYMY-CQSZACIVSA-N 2 1 233.359 1.912 20 0 BDADMP CC[N@H+]1CC[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001173361299 975330157 /nfs/dbraw/zinc/33/01/57/975330157.db2.gz USDWEDBJOFDXKQ-CHWSQXEVSA-N 2 1 245.370 1.643 20 0 BDADMP CCN1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001173360668 975331492 /nfs/dbraw/zinc/33/14/92/975331492.db2.gz DLXROOCNZYLXKC-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC001173366098 975344165 /nfs/dbraw/zinc/34/41/65/975344165.db2.gz WKHNJRAMNNHFQD-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC001173366098 975344170 /nfs/dbraw/zinc/34/41/70/975344170.db2.gz WKHNJRAMNNHFQD-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001173366098 975344176 /nfs/dbraw/zinc/34/41/76/975344176.db2.gz WKHNJRAMNNHFQD-HZSPNIEDSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001173365932 975345878 /nfs/dbraw/zinc/34/58/78/975345878.db2.gz SGWADYJSFXHAAF-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+]1CC[C@@H](N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001173365932 975345884 /nfs/dbraw/zinc/34/58/84/975345884.db2.gz SGWADYJSFXHAAF-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH+]1CC[C@@H](N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001173365932 975345893 /nfs/dbraw/zinc/34/58/93/975345893.db2.gz SGWADYJSFXHAAF-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[NH+](CC)C[C@H]2C)C1 ZINC001173369616 975350586 /nfs/dbraw/zinc/35/05/86/975350586.db2.gz VUSCTDNWPACHME-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@H+](CC)C[C@H]2C)C1 ZINC001173369616 975350595 /nfs/dbraw/zinc/35/05/95/975350595.db2.gz VUSCTDNWPACHME-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CC[N@@H+](CC)C[C@H]2C)C1 ZINC001173369616 975350604 /nfs/dbraw/zinc/35/06/04/975350604.db2.gz VUSCTDNWPACHME-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001173437976 975373655 /nfs/dbraw/zinc/37/36/55/975373655.db2.gz VAKZMJSPHZSBCV-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001173437976 975373661 /nfs/dbraw/zinc/37/36/61/975373661.db2.gz VAKZMJSPHZSBCV-GHMZBOCLSA-N 2 1 228.336 1.141 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001173436957 975373770 /nfs/dbraw/zinc/37/37/70/975373770.db2.gz GWPKLKVTXWDZKW-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@H]1CCOC1 ZINC001333487480 975809612 /nfs/dbraw/zinc/80/96/12/975809612.db2.gz HZQHGFXPQLZLHZ-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001333623273 975900424 /nfs/dbraw/zinc/90/04/24/975900424.db2.gz YCOZTDIFYGCANM-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C2CCC1(CO)CC2 ZINC001333761355 976037812 /nfs/dbraw/zinc/03/78/12/976037812.db2.gz ZBYRVWJSYJARJM-UHFFFAOYSA-N 2 1 240.391 1.708 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC001334041509 976241086 /nfs/dbraw/zinc/24/10/86/976241086.db2.gz GNDPZQSPFPHQRG-VIFPVBQESA-N 2 1 248.321 1.097 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)[nH+]1 ZINC001334154062 976337668 /nfs/dbraw/zinc/33/76/68/976337668.db2.gz GCIBTVOEXMUQFS-MNOVXSKESA-N 2 1 249.362 1.652 20 0 BDADMP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C)C2)cc1 ZINC001335350256 976986560 /nfs/dbraw/zinc/98/65/60/976986560.db2.gz FODUYLFWISAGFX-HIFRSBDPSA-N 2 1 248.370 1.570 20 0 BDADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](C)C2)cc1 ZINC001335350257 976987589 /nfs/dbraw/zinc/98/75/89/976987589.db2.gz FODUYLFWISAGFX-UKRRQHHQSA-N 2 1 248.370 1.570 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335428044 977049291 /nfs/dbraw/zinc/04/92/91/977049291.db2.gz ATQFONHLUXGEKY-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP CN(C)c1cc[nH+]cc1NC1=CCC[N@@H+](C)C1 ZINC001175574041 977568106 /nfs/dbraw/zinc/56/81/06/977568106.db2.gz KXDFLNTVKIPNQK-UHFFFAOYSA-N 2 1 232.331 1.779 20 0 BDADMP CN(c1cc(N)cc[nH+]1)C1=CCC[N@@H+](C)C1 ZINC001175576614 977577645 /nfs/dbraw/zinc/57/76/45/977577645.db2.gz KLKIYLDSKHPFOY-UHFFFAOYSA-N 2 1 218.304 1.319 20 0 BDADMP O[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@@H]1F ZINC001232012309 977837455 /nfs/dbraw/zinc/83/74/55/977837455.db2.gz YONOUYXPJCMLKF-AAEUAGOBSA-N 2 1 249.289 1.468 20 0 BDADMP O[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@@H]1F ZINC001232012309 977837458 /nfs/dbraw/zinc/83/74/58/977837458.db2.gz YONOUYXPJCMLKF-AAEUAGOBSA-N 2 1 249.289 1.468 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@@H]1O ZINC001232011692 977837792 /nfs/dbraw/zinc/83/77/92/977837792.db2.gz OCZSJRAXQMOEHM-HZMBPMFUSA-N 2 1 245.326 1.766 20 0 BDADMP C[C@]1(CO)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012285 977840439 /nfs/dbraw/zinc/84/04/39/977840439.db2.gz YBPJBGZJPNJXKA-AWEZNQCLSA-N 2 1 245.326 1.767 20 0 BDADMP O[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012240 977840840 /nfs/dbraw/zinc/84/08/40/977840840.db2.gz WOOLQQKTBCZPKB-GFCCVEGCSA-N 2 1 231.299 1.520 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015691 977845671 /nfs/dbraw/zinc/84/56/71/977845671.db2.gz LAGQHWBXERBZLP-ZWNOBZJWSA-N 2 1 245.326 1.908 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC001206293103 978293546 /nfs/dbraw/zinc/29/35/46/978293546.db2.gz GHMBPAIROJZNES-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP C[NH+](C)CCCO[C@H]1CCc2[nH+]ccn2C1 ZINC001206296453 978311661 /nfs/dbraw/zinc/31/16/61/978311661.db2.gz NCASOJCSWOXTMO-NSHDSACASA-N 2 1 223.320 1.166 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]cc1 ZINC001337708077 978468032 /nfs/dbraw/zinc/46/80/32/978468032.db2.gz CQXWDCDAUDBOMP-GHMZBOCLSA-N 2 1 205.305 1.610 20 0 BDADMP Cn1c[nH+]cc1N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277765347 978471658 /nfs/dbraw/zinc/47/16/58/978471658.db2.gz FLFTXPSMHRXNPV-UHFFFAOYSA-N 2 1 248.374 1.732 20 0 BDADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc[nH+]1 ZINC001338162086 978623474 /nfs/dbraw/zinc/62/34/74/978623474.db2.gz GXULUHDNJKEGIZ-MRVWCRGKSA-N 2 1 231.343 1.564 20 0 BDADMP CC(C)[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277798824 978665877 /nfs/dbraw/zinc/66/58/77/978665877.db2.gz BUPIQBRILWKPKT-STQMWFEESA-N 2 1 225.380 1.105 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000069863061 978766153 /nfs/dbraw/zinc/76/61/53/978766153.db2.gz RGZUYSPEHSGQBW-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP C(C1CCCCC1)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234982448 978942735 /nfs/dbraw/zinc/94/27/35/978942735.db2.gz STNYYCRCNTXGMF-CQSZACIVSA-N 2 1 237.391 1.204 20 0 BDADMP Cc1c[nH]ccc1=[NH+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001339998981 978953959 /nfs/dbraw/zinc/95/39/59/978953959.db2.gz LIJKREZLQKCEKQ-MBNYWOFBSA-N 2 1 231.343 1.564 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088696 978973091 /nfs/dbraw/zinc/97/30/91/978973091.db2.gz KQECVAUKFDBDEA-XHNCKOQMSA-N 2 1 204.264 1.311 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088696 978973097 /nfs/dbraw/zinc/97/30/97/978973097.db2.gz KQECVAUKFDBDEA-XHNCKOQMSA-N 2 1 204.264 1.311 20 0 BDADMP [NH3+]CCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235121305 978978483 /nfs/dbraw/zinc/97/84/83/978978483.db2.gz CHIDEXRLMRFJMU-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235121305 978978488 /nfs/dbraw/zinc/97/84/88/978978488.db2.gz CHIDEXRLMRFJMU-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP COC[C@@]12CCC[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235570968 979096952 /nfs/dbraw/zinc/09/69/52/979096952.db2.gz VJIHPYLMLACCQJ-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP OCCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235677294 979116662 /nfs/dbraw/zinc/11/66/62/979116662.db2.gz GHCALWIOYMDNSS-AWEZNQCLSA-N 2 1 240.391 1.709 20 0 BDADMP CC[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001235723594 979134442 /nfs/dbraw/zinc/13/44/42/979134442.db2.gz HBBJKXWYNPNCGK-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP CC[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001235723594 979134447 /nfs/dbraw/zinc/13/44/47/979134447.db2.gz HBBJKXWYNPNCGK-OLZOCXBDSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+]CCN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001235792768 979148904 /nfs/dbraw/zinc/14/89/04/979148904.db2.gz GBQHBKXELXVIOL-GJZGRUSLSA-N 2 1 245.370 1.151 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001235946662 979216329 /nfs/dbraw/zinc/21/63/29/979216329.db2.gz OPXBLLHRNFJZDN-ZDUSSCGKSA-N 2 1 235.331 1.194 20 0 BDADMP [NH3+]CCCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001235946662 979216344 /nfs/dbraw/zinc/21/63/44/979216344.db2.gz OPXBLLHRNFJZDN-ZDUSSCGKSA-N 2 1 235.331 1.194 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235948364 979222509 /nfs/dbraw/zinc/22/25/09/979222509.db2.gz MPVWICKTKNZBGB-TUAOUCFPSA-N 2 1 226.364 1.689 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235948364 979222517 /nfs/dbraw/zinc/22/25/17/979222517.db2.gz MPVWICKTKNZBGB-TUAOUCFPSA-N 2 1 226.364 1.689 20 0 BDADMP Cc1noc([C@@H]2CCC[N@H+]2CCCC[NH3+])n1 ZINC001235960140 979227790 /nfs/dbraw/zinc/22/77/90/979227790.db2.gz OTDDLNHJXSBPIZ-JTQLQIEISA-N 2 1 224.308 1.254 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001235977322 979239295 /nfs/dbraw/zinc/23/92/95/979239295.db2.gz GNBDFIITDLRFLJ-DYEKYZERSA-N 2 1 238.375 1.615 20 0 BDADMP CCc1[nH]c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(C)[nH+]1 ZINC001235976638 979243536 /nfs/dbraw/zinc/24/35/36/979243536.db2.gz BEJGNUOIFWEFBT-GWCFXTLKSA-N 2 1 234.347 1.204 20 0 BDADMP Cc1ccsc1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235982267 979262501 /nfs/dbraw/zinc/26/25/01/979262501.db2.gz UYMJPWYLIQCGRO-JQWIXIFHSA-N 2 1 222.357 1.980 20 0 BDADMP Cc1ccsc1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235982267 979262510 /nfs/dbraw/zinc/26/25/10/979262510.db2.gz UYMJPWYLIQCGRO-JQWIXIFHSA-N 2 1 222.357 1.980 20 0 BDADMP C[C@H]1C[C@H](N)C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001236043925 979339591 /nfs/dbraw/zinc/33/95/91/979339591.db2.gz GGUATBGBFSUROS-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CN(CCC2CC[NH2+]CC2)C1 ZINC001236043925 979339605 /nfs/dbraw/zinc/33/96/05/979339605.db2.gz GGUATBGBFSUROS-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC001341336957 979342020 /nfs/dbraw/zinc/34/20/20/979342020.db2.gz LLZLRIGYUNNZOC-NSHDSACASA-N 2 1 241.379 1.055 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2cccnc2C1 ZINC001236062864 979353007 /nfs/dbraw/zinc/35/30/07/979353007.db2.gz CGSNUHBWFZQBAL-UHFFFAOYSA-N 2 1 205.305 1.179 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCCN1 ZINC001236097078 979384383 /nfs/dbraw/zinc/38/43/83/979384383.db2.gz HJIGUHWSPFAUCE-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC001236097078 979384391 /nfs/dbraw/zinc/38/43/91/979384391.db2.gz HJIGUHWSPFAUCE-STQMWFEESA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCCN1 ZINC001236096532 979384455 /nfs/dbraw/zinc/38/44/55/979384455.db2.gz DCEZWYQZIFPEFJ-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CN(CCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC001236096532 979384462 /nfs/dbraw/zinc/38/44/62/979384462.db2.gz DCEZWYQZIFPEFJ-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CCc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206474496 979386363 /nfs/dbraw/zinc/38/63/63/979386363.db2.gz CCAOFUNRQMXZNX-JOYOIKCWSA-N 2 1 240.372 1.062 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)NCC3)CCC[NH2+]1 ZINC001236100696 979387673 /nfs/dbraw/zinc/38/76/73/979387673.db2.gz NBGXFRJRKNUMNY-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)NCC3)CCC[NH2+]1 ZINC001236100696 979387677 /nfs/dbraw/zinc/38/76/77/979387677.db2.gz NBGXFRJRKNUMNY-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](CCCCCO)C[C@@H]21 ZINC001236229949 979458627 /nfs/dbraw/zinc/45/86/27/979458627.db2.gz VBHASLYMYMJEHI-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CSCC[N@@H+](C)C[C@@H]1CNC(C)(C)O1 ZINC001236275032 979482817 /nfs/dbraw/zinc/48/28/17/979482817.db2.gz IXTJSLJZACYGTD-VIFPVBQESA-N 2 1 218.366 1.006 20 0 BDADMP Nc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236321392 979531838 /nfs/dbraw/zinc/53/18/38/979531838.db2.gz JGDXJDUWPCMSTN-BETUJISGSA-N 2 1 246.358 1.095 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236319530 979532900 /nfs/dbraw/zinc/53/29/00/979532900.db2.gz BMOYVDYZEAQCCW-GASCZTMLSA-N 2 1 245.370 1.821 20 0 BDADMP C[C@H]1CN(CC2(C)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001236424754 979596711 /nfs/dbraw/zinc/59/67/11/979596711.db2.gz VZSGFDVZRXATQE-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H](N)C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551797 979635613 /nfs/dbraw/zinc/63/56/13/979635613.db2.gz NVJLFSMXXARSBH-MGPQQGTHSA-N 2 1 239.407 1.706 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC001206542138 979649998 /nfs/dbraw/zinc/64/99/98/979649998.db2.gz SETURLQEQVSHPP-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1CN(CC2(C)CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC001236577626 979651549 /nfs/dbraw/zinc/65/15/49/979651549.db2.gz VZSGFDVZRXATQE-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1c[nH+]ccc1O[C@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC001236666094 979687677 /nfs/dbraw/zinc/68/76/77/979687677.db2.gz XXBPMTZGUJHYEW-NEPJUHHUSA-N 2 1 235.331 1.190 20 0 BDADMP Cc1cnccc1O[C@@H]1CC[N@@H+](CCCO)C1 ZINC001236663374 979688322 /nfs/dbraw/zinc/68/83/22/979688322.db2.gz KKNHHEOWKYJCHO-GFCCVEGCSA-N 2 1 236.315 1.226 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCCCO)C[C@@H]2C1 ZINC001236950269 979797812 /nfs/dbraw/zinc/79/78/12/979797812.db2.gz KXQVLVSFHHIKDX-BETUJISGSA-N 2 1 226.364 1.033 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCCCO)C[C@@H]2C1 ZINC001236950269 979797816 /nfs/dbraw/zinc/79/78/16/979797816.db2.gz KXQVLVSFHHIKDX-BETUJISGSA-N 2 1 226.364 1.033 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CCCCCO)C[C@@H]2C1 ZINC001236950269 979797820 /nfs/dbraw/zinc/79/78/20/979797820.db2.gz KXQVLVSFHHIKDX-BETUJISGSA-N 2 1 226.364 1.033 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)n(C)n1 ZINC001205265803 979817362 /nfs/dbraw/zinc/81/73/62/979817362.db2.gz RMDATOXWYYBGKH-ZDUSSCGKSA-N 2 1 236.363 1.432 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n(C)n1 ZINC001205265803 979817368 /nfs/dbraw/zinc/81/73/68/979817368.db2.gz RMDATOXWYYBGKH-ZDUSSCGKSA-N 2 1 236.363 1.432 20 0 BDADMP Cc1ccn2cc(C[N@@H+](C)CCCC[NH3+])nc2c1 ZINC001237205566 979845985 /nfs/dbraw/zinc/84/59/85/979845985.db2.gz XCYUYWPASWSZNB-UHFFFAOYSA-N 2 1 246.358 1.813 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N)nc2)CC1 ZINC001205280529 979867155 /nfs/dbraw/zinc/86/71/55/979867155.db2.gz BPDFXEAXLZVFSZ-CYBMUJFWSA-N 2 1 234.347 1.367 20 0 BDADMP COC(=O)CCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237374695 979877671 /nfs/dbraw/zinc/87/76/71/979877671.db2.gz HTPXSGOBSYYPEM-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237374695 979877674 /nfs/dbraw/zinc/87/76/74/979877674.db2.gz HTPXSGOBSYYPEM-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP O=c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c[nH]1 ZINC001237383693 979882954 /nfs/dbraw/zinc/88/29/54/979882954.db2.gz RRYAEQYDXPMNPG-STQMWFEESA-N 2 1 247.342 1.361 20 0 BDADMP O=c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c[nH]1 ZINC001237383693 979882956 /nfs/dbraw/zinc/88/29/56/979882956.db2.gz RRYAEQYDXPMNPG-STQMWFEESA-N 2 1 247.342 1.361 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cnsc2)CC1 ZINC001205281897 979884745 /nfs/dbraw/zinc/88/47/45/979884745.db2.gz ZHBGDVQSMYKDKC-LLVKDONJSA-N 2 1 225.361 1.846 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cnsc2)CC1 ZINC001205281897 979884747 /nfs/dbraw/zinc/88/47/47/979884747.db2.gz ZHBGDVQSMYKDKC-LLVKDONJSA-N 2 1 225.361 1.846 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cnsc2)CC1 ZINC001205281900 979885233 /nfs/dbraw/zinc/88/52/33/979885233.db2.gz ZHBGDVQSMYKDKC-NSHDSACASA-N 2 1 225.361 1.846 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cnsc2)CC1 ZINC001205281900 979885234 /nfs/dbraw/zinc/88/52/34/979885234.db2.gz ZHBGDVQSMYKDKC-NSHDSACASA-N 2 1 225.361 1.846 20 0 BDADMP Cc1coc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001237650654 980006152 /nfs/dbraw/zinc/00/61/52/980006152.db2.gz WFHDYFHJCJOZHK-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102748 980152484 /nfs/dbraw/zinc/15/24/84/980152484.db2.gz IHKDYHZYSSMIOP-FZMZJTMJSA-N 2 1 245.326 1.537 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102748 980152486 /nfs/dbraw/zinc/15/24/86/980152486.db2.gz IHKDYHZYSSMIOP-FZMZJTMJSA-N 2 1 245.326 1.537 20 0 BDADMP OC[C@H]1CCC[N@H+]1Cc1cccc2cncn21 ZINC001238105047 980156959 /nfs/dbraw/zinc/15/69/59/980156959.db2.gz BMGSVMOWTALUCN-CYBMUJFWSA-N 2 1 231.299 1.291 20 0 BDADMP OC[C@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238105047 980156970 /nfs/dbraw/zinc/15/69/70/980156970.db2.gz BMGSVMOWTALUCN-CYBMUJFWSA-N 2 1 231.299 1.291 20 0 BDADMP c1[nH+]cn2c1cccc2C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001238106532 980157181 /nfs/dbraw/zinc/15/71/81/980157181.db2.gz KMHYLVNNQCZRHK-TXEJJXNPSA-N 2 1 243.310 1.413 20 0 BDADMP c1[nH+]cn2c1cccc2C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001238106532 980157184 /nfs/dbraw/zinc/15/71/84/980157184.db2.gz KMHYLVNNQCZRHK-TXEJJXNPSA-N 2 1 243.310 1.413 20 0 BDADMP C[C@@]1(O)CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238105112 980158423 /nfs/dbraw/zinc/15/84/23/980158423.db2.gz CINZNKCIARMFSQ-CYBMUJFWSA-N 2 1 231.299 1.291 20 0 BDADMP C[C@@]1(O)CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238105112 980158428 /nfs/dbraw/zinc/15/84/28/980158428.db2.gz CINZNKCIARMFSQ-CYBMUJFWSA-N 2 1 231.299 1.291 20 0 BDADMP CN(CCC[NH+](C)C)c1[nH+]cccc1N ZINC000077302291 980860832 /nfs/dbraw/zinc/86/08/32/980860832.db2.gz CFHNTEAFITWCAR-UHFFFAOYSA-N 2 1 208.309 1.052 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)CC[C@H]1C[NH3+] ZINC001205600403 981155641 /nfs/dbraw/zinc/15/56/41/981155641.db2.gz BGARMFSBVMPVIJ-AGIUHOORSA-N 2 1 226.364 1.330 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cn[nH]c2)CC[C@H]1C[NH3+] ZINC001205601365 981159070 /nfs/dbraw/zinc/15/90/70/981159070.db2.gz DWEOKYCKCCLERH-JQWIXIFHSA-N 2 1 222.336 1.217 20 0 BDADMP COC(=O)CCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205605033 981183618 /nfs/dbraw/zinc/18/36/18/981183618.db2.gz YPPCKQKBUYDCJQ-NWDGAFQWSA-N 2 1 242.363 1.246 20 0 BDADMP CCc1ccc(NC[C@](C)(O)C[NH+](C)C)[nH+]c1 ZINC001348053334 981263143 /nfs/dbraw/zinc/26/31/43/981263143.db2.gz ZUZIEEYRIVXSMA-ZDUSSCGKSA-N 2 1 237.347 1.369 20 0 BDADMP CCc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc[nH+]1 ZINC001348564742 981395619 /nfs/dbraw/zinc/39/56/19/981395619.db2.gz CLLZIFJJHKLPIX-TUKIKUTGSA-N 2 1 245.370 1.818 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC001205638334 981397076 /nfs/dbraw/zinc/39/70/76/981397076.db2.gz MOJACHXQKLUAKC-WCQYABFASA-N 2 1 248.374 1.471 20 0 BDADMP CC[C@@H](C)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001193987292 981527595 /nfs/dbraw/zinc/52/75/95/981527595.db2.gz BWZNINJJOPJJJX-VXGBXAGGSA-N 2 1 236.363 1.966 20 0 BDADMP O[C@@H]1CCCC[C@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580880829 981683916 /nfs/dbraw/zinc/68/39/16/981683916.db2.gz YVXLSLRXKKHWCA-ZOBORPQBSA-N 2 1 238.375 1.079 20 0 BDADMP OC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001580882253 981684707 /nfs/dbraw/zinc/68/47/07/981684707.db2.gz PSCMJTHVVYCIDQ-STQMWFEESA-N 2 1 226.364 1.223 20 0 BDADMP c1cnc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC001580896846 981723057 /nfs/dbraw/zinc/72/30/57/981723057.db2.gz VKISHDWZCUHPHP-CYBMUJFWSA-N 2 1 246.358 1.266 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC001350930323 982126251 /nfs/dbraw/zinc/12/62/51/982126251.db2.gz HJTKROHEACXVAO-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1c[nH+]c(C2=CC[N@@H+](C)CC2)cc1N ZINC001241313357 982464596 /nfs/dbraw/zinc/46/45/96/982464596.db2.gz ZSVHEVHVAVMWEC-UHFFFAOYSA-N 2 1 203.289 1.691 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CCC=CO2)C1 ZINC001205802990 982554721 /nfs/dbraw/zinc/55/47/21/982554721.db2.gz DSKHQGXZCBURJH-UPJWGTAASA-N 2 1 224.348 1.738 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC001205802990 982554728 /nfs/dbraw/zinc/55/47/28/982554728.db2.gz DSKHQGXZCBURJH-UPJWGTAASA-N 2 1 224.348 1.738 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000690529118 983011612 /nfs/dbraw/zinc/01/16/12/983011612.db2.gz UIXOZSQPEZPBCX-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000690529126 983012461 /nfs/dbraw/zinc/01/24/61/983012461.db2.gz UIXOZSQPEZPBCX-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC001205903642 983125571 /nfs/dbraw/zinc/12/55/71/983125571.db2.gz QMVFWKDEIPAITK-SWLSCSKDSA-N 3 1 247.386 1.705 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)C)C[C@@H]2C1 ZINC001201447811 983251446 /nfs/dbraw/zinc/25/14/46/983251446.db2.gz SDROAJWSPAGOMO-TXEJJXNPSA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)C)C[C@@H]2C1 ZINC001201447811 983251451 /nfs/dbraw/zinc/25/14/51/983251451.db2.gz SDROAJWSPAGOMO-TXEJJXNPSA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CC(C)(C)C)C[C@@H]2C1 ZINC001201447811 983251460 /nfs/dbraw/zinc/25/14/60/983251460.db2.gz SDROAJWSPAGOMO-TXEJJXNPSA-N 2 1 210.365 1.916 20 0 BDADMP CCC(CC)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001201535805 983288595 /nfs/dbraw/zinc/28/85/95/983288595.db2.gz OXFULFZTRJGDKT-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP CCC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201638666 983368693 /nfs/dbraw/zinc/36/86/93/983368693.db2.gz QZJIHQVBFPKKSE-UHFFFAOYSA-N 2 1 225.336 1.526 20 0 BDADMP CCCC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201710720 983421119 /nfs/dbraw/zinc/42/11/19/983421119.db2.gz OYEAWMQGBMIJHR-UHFFFAOYSA-N 2 1 239.363 1.917 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](CO)C2)CC1 ZINC000082946476 983505839 /nfs/dbraw/zinc/50/58/39/983505839.db2.gz HMPZFULJWIQGKB-ZDUSSCGKSA-N 2 1 226.364 1.033 20 0 BDADMP COc1cccc2c1CC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC001356049749 983565077 /nfs/dbraw/zinc/56/50/77/983565077.db2.gz NRPVNXMFWLMUSU-GFCCVEGCSA-N 2 1 232.327 1.763 20 0 BDADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)C1CC1 ZINC001356531186 983621524 /nfs/dbraw/zinc/62/15/24/983621524.db2.gz CNSJLOSJDWARCE-GFCCVEGCSA-N 2 1 237.347 1.367 20 0 BDADMP CCCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252106775 983650054 /nfs/dbraw/zinc/65/00/54/983650054.db2.gz BDHTXRHBWHAVGO-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@](C)(CF)C1 ZINC001253180991 984013848 /nfs/dbraw/zinc/01/38/48/984013848.db2.gz NHRODVXYKGCABD-QWHCGFSZSA-N 2 1 246.370 1.371 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@](C)(CF)C1 ZINC001253180991 984013859 /nfs/dbraw/zinc/01/38/59/984013859.db2.gz NHRODVXYKGCABD-QWHCGFSZSA-N 2 1 246.370 1.371 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC(C)C ZINC001492823879 984029350 /nfs/dbraw/zinc/02/93/50/984029350.db2.gz JTTJVMOSHKPXRC-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC(C)C ZINC001492823879 984029361 /nfs/dbraw/zinc/02/93/61/984029361.db2.gz JTTJVMOSHKPXRC-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP C1CCC2(C1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCO[C@@H]12 ZINC001574796494 984119708 /nfs/dbraw/zinc/11/97/08/984119708.db2.gz XEDDERFOHLEGNT-CYDGBPFRSA-N 2 1 236.359 1.286 20 0 BDADMP C[C@H](CC[NH2+]CC(C)(C)C[NH3+])[NH+]1CCCCC1 ZINC001575968300 984141808 /nfs/dbraw/zinc/14/18/08/984141808.db2.gz WNVJOYKUWSXRKG-CYBMUJFWSA-N 3 1 241.423 1.825 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001578620858 984216118 /nfs/dbraw/zinc/21/61/18/984216118.db2.gz ADPWIDQWXMLFLZ-YPMHNXCESA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+]1CCc2cc(C)cc(C)c2C1 ZINC001578654253 984220820 /nfs/dbraw/zinc/22/08/20/984220820.db2.gz LJMRXYZQOMIHFL-CQSZACIVSA-N 2 1 248.370 1.242 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1CCc2cc(C)cc(C)c2C1 ZINC001578654253 984220833 /nfs/dbraw/zinc/22/08/33/984220833.db2.gz LJMRXYZQOMIHFL-CQSZACIVSA-N 2 1 248.370 1.242 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+]Cc1c(C)cccc1C ZINC001579004032 984250197 /nfs/dbraw/zinc/25/01/97/984250197.db2.gz OJKWQQVQIQBUDE-CYBMUJFWSA-N 2 1 236.359 1.757 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C[NH2+]1 ZINC000718224005 984408699 /nfs/dbraw/zinc/40/86/99/984408699.db2.gz DIUKZJHPDOYRLD-IZMFDJJNSA-N 2 1 236.359 1.236 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)C1CC1 ZINC001580229896 984433966 /nfs/dbraw/zinc/43/39/66/984433966.db2.gz VTKCAROOWRTDKP-RYUDHWBXSA-N 2 1 248.326 1.153 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001580413155 984534113 /nfs/dbraw/zinc/53/41/13/984534113.db2.gz VKUUEPQSNRDUFW-NSHDSACASA-N 2 1 212.337 1.105 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2(O)CCCCCC2)C1 ZINC001580413155 984534124 /nfs/dbraw/zinc/53/41/24/984534124.db2.gz VKUUEPQSNRDUFW-NSHDSACASA-N 2 1 212.337 1.105 20 0 BDADMP CC[N@@H+](CCC(=O)OC)CC1(C[NH3+])CCC1 ZINC001577711197 984652657 /nfs/dbraw/zinc/65/26/57/984652657.db2.gz XCJAEJJZRUFYMK-UHFFFAOYSA-N 2 1 228.336 1.000 20 0 BDADMP CCN(CCc1c[nH+]cn1C)[C@H]1CCC[NH2+]C1 ZINC001577731673 984687610 /nfs/dbraw/zinc/68/76/10/984687610.db2.gz YNMPYHMEKYHSFU-ZDUSSCGKSA-N 2 1 236.363 1.037 20 0 BDADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC001577908763 984817045 /nfs/dbraw/zinc/81/70/45/984817045.db2.gz SDULBVBHJYPLTL-WHOHXGKFSA-N 2 1 242.363 1.162 20 0 BDADMP CCOC(=O)[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC001577936080 984821342 /nfs/dbraw/zinc/82/13/42/984821342.db2.gz NISZOLNMCKGFTI-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001577936080 984821343 /nfs/dbraw/zinc/82/13/43/984821343.db2.gz NISZOLNMCKGFTI-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC(=O)CC[N@@H+](C)CCC[NH2+]C1CC1 ZINC001577948700 984830006 /nfs/dbraw/zinc/83/00/06/984830006.db2.gz LHENGVHPFYBNOL-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001257034653 984847789 /nfs/dbraw/zinc/84/77/89/984847789.db2.gz XSBCYLKHYPCFGZ-NXEZZACHSA-N 2 1 228.336 1.045 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)[C@H]1OC ZINC001578149249 984857048 /nfs/dbraw/zinc/85/70/48/984857048.db2.gz ZJXAUIZLYHWZEE-IJLUTSLNSA-N 2 1 242.363 1.040 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001578229140 984878861 /nfs/dbraw/zinc/87/88/61/984878861.db2.gz WCJRTHHRPRYJMP-HLTSFMKQSA-N 2 1 240.269 1.423 20 0 BDADMP CCC[C@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001257309332 984883345 /nfs/dbraw/zinc/88/33/45/984883345.db2.gz JEBMPVCQKIKWKC-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP CCC[C@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001257328609 984898924 /nfs/dbraw/zinc/89/89/24/984898924.db2.gz RTSKTVPXWOHVDI-LBPRGKRZSA-N 2 1 225.380 1.107 20 0 BDADMP CCc1nc(N[C@H]2C[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC001578291033 984933828 /nfs/dbraw/zinc/93/38/28/984933828.db2.gz FQORMTDKKTYMSA-KYZUINATSA-N 2 1 206.293 1.249 20 0 BDADMP CN(C)c1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC001578426641 985057688 /nfs/dbraw/zinc/05/76/88/985057688.db2.gz AMHITMXZNWOOOU-GFCCVEGCSA-N 2 1 248.374 1.318 20 0 BDADMP CN(C)c1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC001578426641 985057702 /nfs/dbraw/zinc/05/77/02/985057702.db2.gz AMHITMXZNWOOOU-GFCCVEGCSA-N 2 1 248.374 1.318 20 0 BDADMP C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H](O)C1CC1 ZINC001578442212 985071146 /nfs/dbraw/zinc/07/11/46/985071146.db2.gz PJWWBIAEKWWRCP-QWHCGFSZSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H](O)C1CC1 ZINC001578442212 985071161 /nfs/dbraw/zinc/07/11/61/985071161.db2.gz PJWWBIAEKWWRCP-QWHCGFSZSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[C@H]1O ZINC001578451352 985085350 /nfs/dbraw/zinc/08/53/50/985085350.db2.gz IIKZDAZJNPTTIA-YNEHKIRRSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@H](O)c1ccccn1)CC1CC[NH2+]CC1 ZINC001578457559 985088987 /nfs/dbraw/zinc/08/89/87/985088987.db2.gz BQWZGVGZZVJFDU-AWEZNQCLSA-N 2 1 249.358 1.046 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N)nc3)[C@H]2C1 ZINC001578520912 985143612 /nfs/dbraw/zinc/14/36/12/985143612.db2.gz IXMSFUKBSWHJTH-RWMBFGLXSA-N 2 1 246.358 1.094 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCC[NH2+]CC2)CC1 ZINC001578525491 985148644 /nfs/dbraw/zinc/14/86/44/985148644.db2.gz XYYFTPMCIDGUSP-CYBMUJFWSA-N 3 1 239.407 1.450 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC001578525305 985152076 /nfs/dbraw/zinc/15/20/76/985152076.db2.gz VFDVTFOKRXFGMA-FVCCEPFGSA-N 2 1 237.391 1.342 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528717 985159049 /nfs/dbraw/zinc/15/90/49/985159049.db2.gz KOKLTRBQLWACQW-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP CN1CCN(CC[C@H]2CC[NH2+]C2)c2ccc[nH+]c21 ZINC001578533685 985163663 /nfs/dbraw/zinc/16/36/63/985163663.db2.gz SMVFHZITQJLXDT-GFCCVEGCSA-N 2 1 246.358 1.337 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(C[NH3+])cc3)C[C@@H]21 ZINC001578541133 985171104 /nfs/dbraw/zinc/17/11/04/985171104.db2.gz QTNHFPLMZAKBNW-CABCVRRESA-N 2 1 245.370 1.281 20 0 BDADMP CN1CC[C@@H]2C[N@H+](Cc3ccc(C[NH3+])cc3)C[C@@H]21 ZINC001578541133 985171122 /nfs/dbraw/zinc/17/11/22/985171122.db2.gz QTNHFPLMZAKBNW-CABCVRRESA-N 2 1 245.370 1.281 20 0 BDADMP CN1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH3+])cc3)C[C@@H]21 ZINC001578541133 985171144 /nfs/dbraw/zinc/17/11/44/985171144.db2.gz QTNHFPLMZAKBNW-CABCVRRESA-N 2 1 245.370 1.281 20 0 BDADMP CO[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000687189788 985255556 /nfs/dbraw/zinc/25/55/56/985255556.db2.gz AUTGLLVQBHUIFF-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC001578653846 985269918 /nfs/dbraw/zinc/26/99/18/985269918.db2.gz FBKYTSHSFJFTEZ-CHWSQXEVSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001578654553 985272776 /nfs/dbraw/zinc/27/27/76/985272776.db2.gz SIBVJSBWXXEZCY-WCQYABFASA-N 2 1 222.332 1.226 20 0 BDADMP C[NH2+]C[C@H](O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001578654552 985276006 /nfs/dbraw/zinc/27/60/06/985276006.db2.gz SIBVJSBWXXEZCY-AAEUAGOBSA-N 2 1 222.332 1.226 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC001578654756 985276103 /nfs/dbraw/zinc/27/61/03/985276103.db2.gz YLULXWHWQBYJSZ-AWEZNQCLSA-N 2 1 248.370 1.242 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC001578654756 985276108 /nfs/dbraw/zinc/27/61/08/985276108.db2.gz YLULXWHWQBYJSZ-AWEZNQCLSA-N 2 1 248.370 1.242 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000687255870 985278129 /nfs/dbraw/zinc/27/81/29/985278129.db2.gz UEWPGYTXVMDBIE-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CC23CC(C)(C2)OC3)C1 ZINC001578664314 985282269 /nfs/dbraw/zinc/28/22/69/985282269.db2.gz QPYQCCIJLYMKMH-HIFPTAJRSA-N 2 1 224.348 1.097 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001578788225 985356995 /nfs/dbraw/zinc/35/69/95/985356995.db2.gz HWBVPSGKADOQCD-DDHJBXDOSA-N 2 1 240.347 1.058 20 0 BDADMP CO[C@](C)(C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC001578895855 985458239 /nfs/dbraw/zinc/45/82/39/985458239.db2.gz BMMAUHOCFAWBAE-MROQNXINSA-N 2 1 224.348 1.284 20 0 BDADMP CO[C@](C)(CO)C[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001578896296 985475995 /nfs/dbraw/zinc/47/59/95/985475995.db2.gz LLFYNPJJYMLLCF-YPMHNXCESA-N 2 1 246.395 1.127 20 0 BDADMP COC[C@](C)(CO)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001578953960 985561196 /nfs/dbraw/zinc/56/11/96/985561196.db2.gz CCNPMPWUDXUJLO-YPMHNXCESA-N 2 1 246.395 1.127 20 0 BDADMP COCC[C@@H]([NH3+])C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001579000028 985648783 /nfs/dbraw/zinc/64/87/83/985648783.db2.gz NCZCENCHHOATNN-HIFRSBDPSA-N 2 1 248.370 1.970 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001579000028 985648795 /nfs/dbraw/zinc/64/87/95/985648795.db2.gz NCZCENCHHOATNN-HIFRSBDPSA-N 2 1 248.370 1.970 20 0 BDADMP COCCSCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC001579073030 985693480 /nfs/dbraw/zinc/69/34/80/985693480.db2.gz MICOBFMQAWZBBF-LLVKDONJSA-N 2 1 232.393 1.037 20 0 BDADMP COc1c(C)cnc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1C ZINC001579134655 985812378 /nfs/dbraw/zinc/81/23/78/985812378.db2.gz LNRKUOMCNTXWDS-PHIMTYICSA-N 2 1 235.331 1.286 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+]C(C)(C)C[NH3+])n1 ZINC001579269129 985825821 /nfs/dbraw/zinc/82/58/21/985825821.db2.gz NQGDCQFEACBLKC-JTQLQIEISA-N 2 1 237.347 1.348 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001258355902 985836214 /nfs/dbraw/zinc/83/62/14/985836214.db2.gz LRXDFKYNJPPJNG-NWDGAFQWSA-N 2 1 242.363 1.402 20 0 BDADMP COc1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1C ZINC001579323462 985840387 /nfs/dbraw/zinc/84/03/87/985840387.db2.gz HLWQMWWQPGLANG-VXGBXAGGSA-N 2 1 249.358 1.425 20 0 BDADMP COc1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1C ZINC001579323462 985840397 /nfs/dbraw/zinc/84/03/97/985840397.db2.gz HLWQMWWQPGLANG-VXGBXAGGSA-N 2 1 249.358 1.425 20 0 BDADMP CSCC[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579374952 985864390 /nfs/dbraw/zinc/86/43/90/985864390.db2.gz ZVIXDOYDHIEZOT-NEPJUHHUSA-N 2 1 228.405 1.800 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001579384975 985869319 /nfs/dbraw/zinc/86/93/19/985869319.db2.gz RZCWQKPXRQHGTI-LMLFDSFASA-N 2 1 214.378 1.611 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1C[NH3+] ZINC001579440696 985931487 /nfs/dbraw/zinc/93/14/87/985931487.db2.gz RUVCXDAEDIHLTM-MWLCHTKSSA-N 2 1 246.314 1.249 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC001579454565 985941168 /nfs/dbraw/zinc/94/11/68/985941168.db2.gz LGTBRQTUUGDRHA-AGIUHOORSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001579454452 985942515 /nfs/dbraw/zinc/94/25/15/985942515.db2.gz DBBVLGMUXBPDME-HZSPNIEDSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001579454452 985942530 /nfs/dbraw/zinc/94/25/30/985942530.db2.gz DBBVLGMUXBPDME-HZSPNIEDSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001579454728 985948425 /nfs/dbraw/zinc/94/84/25/985948425.db2.gz YNIHFIVCFKDTDJ-MQYQWHSLSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC001579499214 986028619 /nfs/dbraw/zinc/02/86/19/986028619.db2.gz DOHBYGZIWYQULJ-OPRDCNLKSA-N 2 1 200.351 1.222 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC001579499327 986030619 /nfs/dbraw/zinc/03/06/19/986030619.db2.gz JUNMTEKUMKZARE-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@]12C[N@@H+](CCC3C[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001579509671 986056384 /nfs/dbraw/zinc/05/63/84/986056384.db2.gz CAKWXKVAAWWICO-LJISPDSOSA-N 2 1 234.387 1.964 20 0 BDADMP Cc1cc(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)cc(C)[nH+]1 ZINC001579634940 986153092 /nfs/dbraw/zinc/15/30/92/986153092.db2.gz JJABIADUDNSENF-RISCZKNCSA-N 2 1 245.326 1.201 20 0 BDADMP Cc1cc(NC(=O)[C@H]([NH3+])CC(C)C)cc(C)[nH+]1 ZINC001579633169 986154825 /nfs/dbraw/zinc/15/48/25/986154825.db2.gz XAJXXVRTJRJHBQ-GFCCVEGCSA-N 2 1 235.331 1.432 20 0 BDADMP Cc1cnc([C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)o1 ZINC001579818776 986242616 /nfs/dbraw/zinc/24/26/16/986242616.db2.gz FUCBRAPAHWRLBD-LLVKDONJSA-N 2 1 237.347 1.975 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC001462002666 986258380 /nfs/dbraw/zinc/25/83/80/986258380.db2.gz PFTBOIVMLCPZHY-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1nc(N[C@H]2C[C@H]([NH3+])C2)c(C)c(C)[nH+]1 ZINC001579848874 986272658 /nfs/dbraw/zinc/27/26/58/986272658.db2.gz AKFZEIKHTRPKPH-MGCOHNPYSA-N 2 1 206.293 1.303 20 0 BDADMP CCO[C@H](C[NH2+]CCSC(C)C)C[NH+](C)C ZINC001462573106 986433690 /nfs/dbraw/zinc/43/36/90/986433690.db2.gz KXLITFGAYAFAMF-GFCCVEGCSA-N 2 1 248.436 1.684 20 0 BDADMP Cc1cnc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000689473021 986656494 /nfs/dbraw/zinc/65/64/94/986656494.db2.gz WWPANKXZQHXZIP-ZFWWWQNUSA-N 2 1 247.386 1.971 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H](F)C[C@H](CO)C2)CC1 ZINC001254516377 986657200 /nfs/dbraw/zinc/65/72/00/986657200.db2.gz MAEMPTNAKVURFF-XQQFMLRXSA-N 2 1 244.354 1.123 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2C[C@H](F)C[C@H](CO)C2)CC1 ZINC001254516377 986657155 /nfs/dbraw/zinc/65/71/55/986657155.db2.gz MAEMPTNAKVURFF-XQQFMLRXSA-N 2 1 244.354 1.123 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H](F)C[C@H](CO)C2)CC1 ZINC001254516377 986657174 /nfs/dbraw/zinc/65/71/74/986657174.db2.gz MAEMPTNAKVURFF-XQQFMLRXSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H](F)C[C@H](CO)C2)CC1 ZINC001254516377 986657189 /nfs/dbraw/zinc/65/71/89/986657189.db2.gz MAEMPTNAKVURFF-XQQFMLRXSA-N 2 1 244.354 1.123 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)C1CCCC1 ZINC001580229713 986662201 /nfs/dbraw/zinc/66/22/01/986662201.db2.gz SLWZAROYVVWNBE-YVECIDJPSA-N 2 1 224.348 1.128 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC3(C2)CCOCC3)C[NH2+]1 ZINC000379721051 986678155 /nfs/dbraw/zinc/67/81/55/986678155.db2.gz CWLDSGCHBOYBAQ-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC3(C2)CCOCC3)C[NH2+]1 ZINC000379721051 986678165 /nfs/dbraw/zinc/67/81/65/986678165.db2.gz CWLDSGCHBOYBAQ-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc[nH]c(=O)c1)C2 ZINC001580335066 986777978 /nfs/dbraw/zinc/77/79/78/986777978.db2.gz VKXIAORQQDAJHD-JSGCOSHPSA-N 2 1 247.342 1.348 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](O)C23CCCC3)C1 ZINC001580387519 986812620 /nfs/dbraw/zinc/81/26/20/986812620.db2.gz KHDCPHCTPHRUTP-YNEHKIRRSA-N 2 1 238.375 1.493 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnn2CC2CCC2)C1 ZINC001580431070 986848728 /nfs/dbraw/zinc/84/87/28/986848728.db2.gz AOSJYBSCDGKZCJ-HAQNSBGRSA-N 2 1 234.347 1.263 20 0 BDADMP CCN([C@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC001255435682 986956927 /nfs/dbraw/zinc/95/69/27/986956927.db2.gz KLCSYHNTEZGULD-ZDUSSCGKSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CC[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001255439338 986962698 /nfs/dbraw/zinc/96/26/98/986962698.db2.gz SQJOOEPSFAMHFI-NWDGAFQWSA-N 2 1 234.347 1.227 20 0 BDADMP C[N@H+]1CC[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001255439340 986963504 /nfs/dbraw/zinc/96/35/04/986963504.db2.gz SQJOOEPSFAMHFI-VXGBXAGGSA-N 2 1 234.347 1.227 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](O)C1 ZINC001255954065 987096537 /nfs/dbraw/zinc/09/65/37/987096537.db2.gz AAVYNAQPEUXXEN-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP CCCC[C@@H](O)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001245998782 987279346 /nfs/dbraw/zinc/27/93/46/987279346.db2.gz ZHFRWOGFKHSMDG-NWDGAFQWSA-N 2 1 214.353 1.269 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016568 987292198 /nfs/dbraw/zinc/29/21/98/987292198.db2.gz LZVRSJDHEDJVEH-WDEREUQCSA-N 2 1 214.353 1.207 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)CC1 ZINC001246017019 987300476 /nfs/dbraw/zinc/30/04/76/987300476.db2.gz PRHQDNGGTXOQGI-KBPBESRZSA-N 2 1 234.343 1.533 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020800 987307587 /nfs/dbraw/zinc/30/75/87/987307587.db2.gz MEYMLBJDSSUWOV-WCQYABFASA-N 2 1 246.370 1.546 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246020605 987308181 /nfs/dbraw/zinc/30/81/81/987308181.db2.gz IWHJAHBYATZLGE-KBPBESRZSA-N 2 1 242.407 1.988 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246021752 987311219 /nfs/dbraw/zinc/31/12/19/987311219.db2.gz OYTNRZQRHOAPCG-RYUDHWBXSA-N 2 1 232.343 1.156 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC001246023351 987313663 /nfs/dbraw/zinc/31/36/63/987313663.db2.gz POFYMBKXUNEIED-GRYCIOLGSA-N 2 1 228.380 1.453 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC001246023351 987313666 /nfs/dbraw/zinc/31/36/66/987313666.db2.gz POFYMBKXUNEIED-GRYCIOLGSA-N 2 1 228.380 1.453 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1(Cl)CC1 ZINC000695683954 987334071 /nfs/dbraw/zinc/33/40/71/987334071.db2.gz FALFSLRHXOUEGN-SNVBAGLBSA-N 2 1 228.767 1.998 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246059118 987348940 /nfs/dbraw/zinc/34/89/40/987348940.db2.gz ICXCHZKQUCHEMP-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697090431 987349748 /nfs/dbraw/zinc/34/97/48/987349748.db2.gz ZGQOYLCAISBLKP-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000697090431 987349759 /nfs/dbraw/zinc/34/97/59/987349759.db2.gz ZGQOYLCAISBLKP-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697862478 987365295 /nfs/dbraw/zinc/36/52/95/987365295.db2.gz MRUMHBDZVVHTKG-FVCCEPFGSA-N 2 1 208.349 1.703 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC001246078323 987368701 /nfs/dbraw/zinc/36/87/01/987368701.db2.gz AHRGTXPTCKMFOK-LOWDOPEQSA-N 3 1 239.407 1.493 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH2+]CC1)C2 ZINC001246077586 987369719 /nfs/dbraw/zinc/36/97/19/987369719.db2.gz JGAUGWKAAWEJHW-ZSOGYDGISA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C[NH2+]1 ZINC001246079293 987371709 /nfs/dbraw/zinc/37/17/09/987371709.db2.gz JRRSHJGFIZULRQ-IEECTRCBSA-N 2 1 236.359 1.474 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246090321 987392689 /nfs/dbraw/zinc/39/26/89/987392689.db2.gz WHSSQZNXHROGPA-DGAVXFQQSA-N 3 1 239.407 1.623 20 0 BDADMP CCOC(=O)CC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090217 987393568 /nfs/dbraw/zinc/39/35/68/987393568.db2.gz JZOFKMTVWVOWGE-RYUDHWBXSA-N 2 1 242.363 1.450 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2F)C[NH2+]1 ZINC001246090968 987396604 /nfs/dbraw/zinc/39/66/04/987396604.db2.gz CHFVDHNADLMSLW-FIQHERPVSA-N 2 1 214.328 1.855 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001246101675 987422340 /nfs/dbraw/zinc/42/23/40/987422340.db2.gz AJHKRSBSFTYBTN-SRVKXCTJSA-N 2 1 242.363 1.306 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246101268 987424533 /nfs/dbraw/zinc/42/45/33/987424533.db2.gz ITSOYIRQKRUYPX-NTZNESFSSA-N 2 1 222.332 1.798 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106678 987432575 /nfs/dbraw/zinc/43/25/75/987432575.db2.gz DXKKBSVZILMTNH-CSHRUCKSSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114459 987454367 /nfs/dbraw/zinc/45/43/67/987454367.db2.gz WQOOWWMCIZZXSF-CYDGBPFRSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@@H]1CC[C@@H](CN[C@@H]2CCC[N@@H+](C)CC2)[NH2+]C1 ZINC001246115395 987455158 /nfs/dbraw/zinc/45/51/58/987455158.db2.gz RRBZKYGNFZUMRG-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1CN[C@@H]1CCC[N@@H+](C)CC1 ZINC001246117232 987460829 /nfs/dbraw/zinc/46/08/29/987460829.db2.gz YIMOREFDAULWJE-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001246117232 987460835 /nfs/dbraw/zinc/46/08/35/987460835.db2.gz YIMOREFDAULWJE-HZSPNIEDSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001246117232 987460839 /nfs/dbraw/zinc/46/08/39/987460839.db2.gz YIMOREFDAULWJE-HZSPNIEDSA-N 3 1 239.407 1.306 20 0 BDADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246129058 987476717 /nfs/dbraw/zinc/47/67/17/987476717.db2.gz OWHHRUSPNMPCJL-RYUDHWBXSA-N 2 1 242.363 1.450 20 0 BDADMP CCC[C@@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246153442 987510826 /nfs/dbraw/zinc/51/08/26/987510826.db2.gz RVUBQTVKCFUCDJ-NEPJUHHUSA-N 2 1 244.379 1.825 20 0 BDADMP CCCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246153457 987513117 /nfs/dbraw/zinc/51/31/17/987513117.db2.gz SAYKAVZDBTXMBE-RYUDHWBXSA-N 2 1 244.379 1.825 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246155653 987516202 /nfs/dbraw/zinc/51/62/02/987516202.db2.gz WPMDDHIZQKQDTH-NNYUYHANSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CCCO2)C1 ZINC000401222399 987541201 /nfs/dbraw/zinc/54/12/01/987541201.db2.gz ZZIIYHDGQBIRSX-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CCCO2)C1 ZINC000401222399 987541217 /nfs/dbraw/zinc/54/12/17/987541217.db2.gz ZZIIYHDGQBIRSX-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246181635 987555998 /nfs/dbraw/zinc/55/59/98/987555998.db2.gz VSJLEKGQVIKRGX-FOSCPWQOSA-N 3 1 234.347 1.148 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246188072 987570833 /nfs/dbraw/zinc/57/08/33/987570833.db2.gz UHCKEWXNVNZGAX-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP Cc1ccnc([C@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC001246191249 987576736 /nfs/dbraw/zinc/57/67/36/987576736.db2.gz PGPDBSRFGJWEGG-NSHDSACASA-N 2 1 219.332 1.793 20 0 BDADMP CC[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)OC ZINC001473844082 987582447 /nfs/dbraw/zinc/58/24/47/987582447.db2.gz TZTNIYBNPTYWQI-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)OC ZINC001473844082 987582464 /nfs/dbraw/zinc/58/24/64/987582464.db2.gz TZTNIYBNPTYWQI-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)OC ZINC001473844082 987582475 /nfs/dbraw/zinc/58/24/75/987582475.db2.gz TZTNIYBNPTYWQI-AGIUHOORSA-N 2 1 226.364 1.295 20 0 BDADMP COC(=O)CCCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246199838 987596095 /nfs/dbraw/zinc/59/60/95/987596095.db2.gz LKUOWBQVGLUPBA-NEPJUHHUSA-N 2 1 242.363 1.450 20 0 BDADMP CC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246207337 987601978 /nfs/dbraw/zinc/60/19/78/987601978.db2.gz OWWZLDDFRTWNSF-MNOVXSKESA-N 2 1 244.379 1.824 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C)nc(C)c1 ZINC001473966734 987622861 /nfs/dbraw/zinc/62/28/61/987622861.db2.gz VVSIARHVEFFBHA-UHFFFAOYSA-N 2 1 244.342 1.993 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](O)CC2)C[NH2+]1 ZINC001246230636 987628864 /nfs/dbraw/zinc/62/88/64/987628864.db2.gz NXDZCYAVUYTQQW-KKOKHZNYSA-N 2 1 212.337 1.020 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246238895 987639273 /nfs/dbraw/zinc/63/92/73/987639273.db2.gz AUZGGSPBMHJYJH-HZSPNIEDSA-N 3 1 239.407 1.639 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCc2cccnc2)C[NH2+]1 ZINC001246240151 987643529 /nfs/dbraw/zinc/64/35/29/987643529.db2.gz PNPOWXLHMOXDMU-JSGCOSHPSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246244243 987645960 /nfs/dbraw/zinc/64/59/60/987645960.db2.gz LGRCLCQUOUMUNZ-UPJWGTAASA-N 3 1 225.380 1.249 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)C[NH2+]1 ZINC001246248939 987649180 /nfs/dbraw/zinc/64/91/80/987649180.db2.gz MWKZYBDWOCSHBD-NNYUYHANSA-N 2 1 212.337 1.020 20 0 BDADMP CCCNCC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246272724 987666684 /nfs/dbraw/zinc/66/66/84/987666684.db2.gz VEQSBEKCWUQOQB-ZDUSSCGKSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246299497 987693713 /nfs/dbraw/zinc/69/37/13/987693713.db2.gz LEIIMJBVNZENCF-XQQFMLRXSA-N 2 1 226.364 1.291 20 0 BDADMP CCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246299788 987693995 /nfs/dbraw/zinc/69/39/95/987693995.db2.gz MWDQACFPNRKJKK-XQQFMLRXSA-N 2 1 228.380 1.515 20 0 BDADMP CCCC[C@H]1C[C@H]([NH2+]CC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246303348 987701467 /nfs/dbraw/zinc/70/14/67/987701467.db2.gz HNPSPSMMJSMMAP-RWMBFGLXSA-N 3 1 227.396 1.624 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCCCCCC[NH3+])C[NH2+]1 ZINC001246303782 987701834 /nfs/dbraw/zinc/70/18/34/987701834.db2.gz AOQGWRNFWLYSFI-QWHCGFSZSA-N 3 1 227.396 1.626 20 0 BDADMP CC[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246310187 987710523 /nfs/dbraw/zinc/71/05/23/987710523.db2.gz ZNYGAXXHOJLTFB-RWMBFGLXSA-N 3 1 227.396 1.480 20 0 BDADMP CC[C@@H](N)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001246311492 987711510 /nfs/dbraw/zinc/71/15/10/987711510.db2.gz DTJPHXDCEITVNJ-IYXRBSQSSA-N 2 1 241.423 1.966 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246311623 987711929 /nfs/dbraw/zinc/71/19/29/987711929.db2.gz QJSXTCRJWFAAJX-KXNHARMFSA-N 2 1 240.347 1.058 20 0 BDADMP CC[C@H](C[NH3+])[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246320626 987728138 /nfs/dbraw/zinc/72/81/38/987728138.db2.gz ZOINDYJWSNRPRV-GFCCVEGCSA-N 3 1 239.407 1.626 20 0 BDADMP CC[C@@H]1CC([NH2+]C[C@@H](C)C[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246328772 987734781 /nfs/dbraw/zinc/73/47/81/987734781.db2.gz SGZUTAOYKUWEDD-QJPTWQEYSA-N 3 1 227.396 1.480 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CCC(CCO)CC2)C[NH2+]1 ZINC001246336477 987746493 /nfs/dbraw/zinc/74/64/93/987746493.db2.gz OPUHTYOVYQCNGV-RYSNWHEDSA-N 2 1 240.391 1.658 20 0 BDADMP FC1(F)CCCN(CC[NH2+][C@@H]2CCCNC2)C1 ZINC001246339863 987750160 /nfs/dbraw/zinc/75/01/60/987750160.db2.gz FXLDSPSQHURGDL-LLVKDONJSA-N 2 1 247.333 1.059 20 0 BDADMP C[C@@H](Cc1ccc(O)cc1)N[C@H]1CCC[NH2+]C1 ZINC001246351772 987758776 /nfs/dbraw/zinc/75/87/76/987758776.db2.gz NYZOSUCUURZMBE-AAEUAGOBSA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246351772 987758780 /nfs/dbraw/zinc/75/87/80/987758780.db2.gz NYZOSUCUURZMBE-AAEUAGOBSA-N 2 1 234.343 1.665 20 0 BDADMP C1C[C@H]2CC([NH2+][C@@H]3CCC[NH2+]C3)C[C@@H]1O2 ZINC001246355838 987765786 /nfs/dbraw/zinc/76/57/86/987765786.db2.gz DZRJJKDGPSGXLK-WAAKLRNESA-N 2 1 210.321 1.038 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246360212 987766433 /nfs/dbraw/zinc/76/64/33/987766433.db2.gz GKKFPHZWAWNZGQ-IHRRRGAJSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH2+]1 ZINC001246359833 987766684 /nfs/dbraw/zinc/76/66/84/987766684.db2.gz CZFSFNZIVRVDTO-YUTCNCBUSA-N 2 1 237.391 1.201 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+]C1CCCCC1 ZINC001246400512 987784658 /nfs/dbraw/zinc/78/46/58/987784658.db2.gz GRNQYIXWQIEMEE-NSHDSACASA-N 2 1 228.336 1.189 20 0 BDADMP CCCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401772 987784772 /nfs/dbraw/zinc/78/47/72/987784772.db2.gz OVIWEVXHLTUAOQ-RYUDHWBXSA-N 2 1 244.379 1.825 20 0 BDADMP CCC1(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC001246425822 987794627 /nfs/dbraw/zinc/79/46/27/987794627.db2.gz ZOWOIKVCADQGEP-CHWSQXEVSA-N 3 1 239.407 1.496 20 0 BDADMP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246422385 987795269 /nfs/dbraw/zinc/79/52/69/987795269.db2.gz DARHYPMXXOHSRC-FUNVUKJBSA-N 3 1 237.391 1.391 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)C[NH2+]1 ZINC001246450362 987805694 /nfs/dbraw/zinc/80/56/94/987805694.db2.gz WOGOZYKVUOIXMU-SWLSCSKDSA-N 2 1 248.370 1.452 20 0 BDADMP CC[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246453905 987809556 /nfs/dbraw/zinc/80/95/56/987809556.db2.gz RAIUOWJQYSMBTL-OLZOCXBDSA-N 3 1 227.396 1.483 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)C[NH2+]1 ZINC001246460852 987818907 /nfs/dbraw/zinc/81/89/07/987818907.db2.gz KFOHMPZZMRTUFA-FDYHWXHSSA-N 2 1 226.364 1.410 20 0 BDADMP N[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246475331 987832763 /nfs/dbraw/zinc/83/27/63/987832763.db2.gz FMJATWMINWIRGP-OLZOCXBDSA-N 2 1 237.391 1.378 20 0 BDADMP [NH3+]Cc1ccc(CC[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246483662 987842198 /nfs/dbraw/zinc/84/21/98/987842198.db2.gz MSMDGKYIUBYMOG-OAHLLOKOSA-N 3 1 247.386 1.420 20 0 BDADMP CCCC(CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488231 987844908 /nfs/dbraw/zinc/84/49/08/987844908.db2.gz JEEAXHICHJSEMP-GFCCVEGCSA-N 2 1 213.369 1.106 20 0 BDADMP C[NH2+]CC[C@H](C)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246493322 987846726 /nfs/dbraw/zinc/84/67/26/987846726.db2.gz YAVIZLIYSZQXKC-WDEREUQCSA-N 3 1 249.349 1.209 20 0 BDADMP CC(C)C1CCC([NH2+]C[C@@H]2C[NH2+]CCN2)CC1 ZINC001246493386 987847399 /nfs/dbraw/zinc/84/73/99/987847399.db2.gz YZHHSMYIJNDPMT-RUXDESIVSA-N 2 1 239.407 1.352 20 0 BDADMP CCCC(C[NH3+])(CCC)[NH2+][C@H]1CCNC(=O)C1 ZINC001246495761 987849942 /nfs/dbraw/zinc/84/99/42/987849942.db2.gz LKMCXSKUTRSWLZ-NSHDSACASA-N 2 1 241.379 1.152 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246516761 987862125 /nfs/dbraw/zinc/86/21/25/987862125.db2.gz UGHBXGAERSXSMP-LPWJVIDDSA-N 2 1 226.364 1.674 20 0 BDADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC001246517395 987865848 /nfs/dbraw/zinc/86/58/48/987865848.db2.gz KZPIWQCHWRMXHU-PIGZVRMJSA-N 3 1 237.391 1.103 20 0 BDADMP COc1cccc(C[C@H](C)[N@@H+]2CCC[NH2+]CC2)c1 ZINC001246524673 987876400 /nfs/dbraw/zinc/87/64/00/987876400.db2.gz NSYSPHVVACSROP-ZDUSSCGKSA-N 2 1 248.370 1.922 20 0 BDADMP COc1cccc(C[C@H](C)[N@H+]2CCC[NH2+]CC2)c1 ZINC001246524673 987876402 /nfs/dbraw/zinc/87/64/02/987876402.db2.gz NSYSPHVVACSROP-ZDUSSCGKSA-N 2 1 248.370 1.922 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2CCC[C@@](O)(C[NH3+])CC2)C1 ZINC001246539142 987897365 /nfs/dbraw/zinc/89/73/65/987897365.db2.gz AZSKVKPSTMARBQ-JSGCOSHPSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@H](Cc1ccccn1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540876 987903515 /nfs/dbraw/zinc/90/35/15/987903515.db2.gz KJESAIVFZPTHKE-YNEHKIRRSA-N 2 1 233.359 1.539 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C[C@H]1C[NH3+] ZINC001246540725 987903664 /nfs/dbraw/zinc/90/36/64/987903664.db2.gz JZJHKEFXXHPXBE-KIJLLGNVSA-N 2 1 236.359 1.271 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539970 987905391 /nfs/dbraw/zinc/90/53/91/987905391.db2.gz JEJPJSNORWVFOW-YIYPIFLZSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539970 987905409 /nfs/dbraw/zinc/90/54/09/987905409.db2.gz JEJPJSNORWVFOW-YIYPIFLZSA-N 3 1 237.391 1.473 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246543430 987914328 /nfs/dbraw/zinc/91/43/28/987914328.db2.gz NDRCEMVTPKJLHJ-JHJVBQTASA-N 2 1 228.380 1.859 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCOC3)CC2)C[NH2+]1 ZINC001246545459 987919151 /nfs/dbraw/zinc/91/91/51/987919151.db2.gz GYVMNNHZPSGGPN-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246546105 987929150 /nfs/dbraw/zinc/92/91/50/987929150.db2.gz YFCJPWYYFZRUOJ-VXGBXAGGSA-N 2 1 246.420 1.304 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246546229 987930376 /nfs/dbraw/zinc/93/03/76/987930376.db2.gz ZBHAZFQZGSSIKL-KGLIPLIRSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547944 987936971 /nfs/dbraw/zinc/93/69/71/987936971.db2.gz DKHKXOGJPVOBOT-XJFOESAGSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547944 987936985 /nfs/dbraw/zinc/93/69/85/987936985.db2.gz DKHKXOGJPVOBOT-XJFOESAGSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001246552270 987951371 /nfs/dbraw/zinc/95/13/71/987951371.db2.gz UCFHMUDHFZYGJG-YVECIDJPSA-N 2 1 226.339 1.938 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246555312 987957492 /nfs/dbraw/zinc/95/74/92/987957492.db2.gz FYFBGILICQJUOG-WRWGMCAJSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246555312 987957500 /nfs/dbraw/zinc/95/75/00/987957500.db2.gz FYFBGILICQJUOG-WRWGMCAJSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](C2CCOCC2)CC1 ZINC001246554509 987959404 /nfs/dbraw/zinc/95/94/04/987959404.db2.gz VUPKDJUPTBHJSW-GFCCVEGCSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001246554557 987960492 /nfs/dbraw/zinc/96/04/92/987960492.db2.gz BGUQEASIYFSETN-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246555351 987965264 /nfs/dbraw/zinc/96/52/64/987965264.db2.gz DUEHSHMGSRWCKP-AAVRWANBSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246555352 987967169 /nfs/dbraw/zinc/96/71/69/987967169.db2.gz DUEHSHMGSRWCKP-REWJHTLYSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CCO1 ZINC001246556051 987968170 /nfs/dbraw/zinc/96/81/70/987968170.db2.gz YHAAQZJQOSPJCF-UPJWGTAASA-N 2 1 226.364 1.757 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(C)cn1 ZINC001117953737 987969170 /nfs/dbraw/zinc/96/91/70/987969170.db2.gz ODGPKJAZWFPOIX-LLVKDONJSA-N 2 1 207.321 1.478 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246555996 987970664 /nfs/dbraw/zinc/97/06/64/987970664.db2.gz YDRMPDZHZMXFQI-CHWSQXEVSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+]([C@@H]2CCCOC2)C1 ZINC001246562751 988003744 /nfs/dbraw/zinc/00/37/44/988003744.db2.gz ZLNPLSSMNQPWAT-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+]([C@@H]2CCCOC2)C1 ZINC001246562751 988003756 /nfs/dbraw/zinc/00/37/56/988003756.db2.gz ZLNPLSSMNQPWAT-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC1 ZINC001246564410 988019317 /nfs/dbraw/zinc/01/93/17/988019317.db2.gz NQFMRBMTKZWOAR-KBHBFKLGSA-N 2 1 239.407 1.576 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(C)nn1C ZINC001118122263 988027462 /nfs/dbraw/zinc/02/74/62/988027462.db2.gz SGUIYHVGOHUGJN-MWLCHTKSSA-N 2 1 224.352 1.235 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC001246565884 988028974 /nfs/dbraw/zinc/02/89/74/988028974.db2.gz ZVWSJMNUTSYKPL-NWDGAFQWSA-N 2 1 244.404 1.058 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC001246565887 988032569 /nfs/dbraw/zinc/03/25/69/988032569.db2.gz ZVWSJMNUTSYKPL-RYUDHWBXSA-N 2 1 244.404 1.058 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246568151 988039264 /nfs/dbraw/zinc/03/92/64/988039264.db2.gz ZSSUDCDUHSYOMN-FRRDWIJNSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246568151 988039274 /nfs/dbraw/zinc/03/92/74/988039274.db2.gz ZSSUDCDUHSYOMN-FRRDWIJNSA-N 3 1 239.407 1.576 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CO1 ZINC001246574138 988066364 /nfs/dbraw/zinc/06/63/64/988066364.db2.gz DHGFDBXYNUGPNC-AAEUAGOBSA-N 2 1 244.354 1.707 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CO1 ZINC001246574138 988066381 /nfs/dbraw/zinc/06/63/81/988066381.db2.gz DHGFDBXYNUGPNC-AAEUAGOBSA-N 2 1 244.354 1.707 20 0 BDADMP CC(C)CCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246573684 988071673 /nfs/dbraw/zinc/07/16/73/988071673.db2.gz ZBNYGPBGXZQUPH-JHJVBQTASA-N 2 1 228.380 1.595 20 0 BDADMP O[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246574847 988085618 /nfs/dbraw/zinc/08/56/18/988085618.db2.gz LCOFCLGNVKERDW-ZGVCCVRISA-N 2 1 224.348 1.116 20 0 BDADMP CN1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246577776 988090098 /nfs/dbraw/zinc/09/00/98/988090098.db2.gz PJTNOQNAZDUVQZ-CQSZACIVSA-N 2 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246577776 988090116 /nfs/dbraw/zinc/09/01/16/988090116.db2.gz PJTNOQNAZDUVQZ-CQSZACIVSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246577776 988090132 /nfs/dbraw/zinc/09/01/32/988090132.db2.gz PJTNOQNAZDUVQZ-CQSZACIVSA-N 3 1 239.407 1.532 20 0 BDADMP CCCCCC[C@H](CC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246578627 988095995 /nfs/dbraw/zinc/09/59/95/988095995.db2.gz GTCPLXZXBROAEL-MELADBBJSA-N 2 1 242.407 1.987 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCCOCC2)C1 ZINC001246579798 988102370 /nfs/dbraw/zinc/10/23/70/988102370.db2.gz LKBNEADCAYPFLA-CHWSQXEVSA-N 2 1 244.354 1.708 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001246579798 988102378 /nfs/dbraw/zinc/10/23/78/988102378.db2.gz LKBNEADCAYPFLA-CHWSQXEVSA-N 2 1 244.354 1.708 20 0 BDADMP C[C@@H]1CC[C@H]([NH+]2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246581578 988113535 /nfs/dbraw/zinc/11/35/35/988113535.db2.gz RTIZGAVJSPUBTP-YPMHNXCESA-N 3 1 225.380 1.188 20 0 BDADMP CCCCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582406 988115317 /nfs/dbraw/zinc/11/53/17/988115317.db2.gz XQTIKJSSXCLNDE-SRVKXCTJSA-N 2 1 214.353 1.207 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246581813 988117040 /nfs/dbraw/zinc/11/70/40/988117040.db2.gz AWYDUGSFPZHHNA-STQMWFEESA-N 3 1 227.396 1.435 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246581813 988117045 /nfs/dbraw/zinc/11/70/45/988117045.db2.gz AWYDUGSFPZHHNA-STQMWFEESA-N 3 1 227.396 1.435 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582932 988120735 /nfs/dbraw/zinc/12/07/35/988120735.db2.gz PEWYGZUSMMTXEM-WUHRBBMRSA-N 2 1 208.349 1.846 20 0 BDADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582775 988121288 /nfs/dbraw/zinc/12/12/88/988121288.db2.gz HMMUSGYRGBYLFM-XQHKEYJVSA-N 2 1 228.380 1.453 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246582941 988122519 /nfs/dbraw/zinc/12/25/19/988122519.db2.gz PILGMMDKILXTTP-RYUDHWBXSA-N 3 1 213.369 1.045 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246582941 988122536 /nfs/dbraw/zinc/12/25/36/988122536.db2.gz PILGMMDKILXTTP-RYUDHWBXSA-N 3 1 213.369 1.045 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246583781 988123748 /nfs/dbraw/zinc/12/37/48/988123748.db2.gz KSCFQKVCZHIOLD-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583660 988124685 /nfs/dbraw/zinc/12/46/85/988124685.db2.gz KPRXBIDGIPROGO-ZOBORPQBSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246582683 988126226 /nfs/dbraw/zinc/12/62/26/988126226.db2.gz SFDBJNVGCXJUKB-IXXDHKBRSA-N 3 1 249.402 1.496 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246583780 988127009 /nfs/dbraw/zinc/12/70/09/988127009.db2.gz KSCFQKVCZHIOLD-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246582670 988127512 /nfs/dbraw/zinc/12/75/12/988127512.db2.gz SBMDWPVZQGNKIC-QWHCGFSZSA-N 3 1 227.396 1.435 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1F ZINC001246585407 988133299 /nfs/dbraw/zinc/13/32/99/988133299.db2.gz KFOWOKHXVVAYDQ-MTVMDMGHSA-N 2 1 212.312 1.546 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1F ZINC001246585407 988133305 /nfs/dbraw/zinc/13/33/05/988133305.db2.gz KFOWOKHXVVAYDQ-MTVMDMGHSA-N 2 1 212.312 1.546 20 0 BDADMP CC1(C[NH3+])C[NH+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246587547 988143758 /nfs/dbraw/zinc/14/37/58/988143758.db2.gz HCEGVDKOANCHHF-LBPRGKRZSA-N 2 1 248.345 1.964 20 0 BDADMP CC[NH+]1CCC(N2CCC(F)(F)[C@H]([NH3+])C2)CC1 ZINC001246588028 988159931 /nfs/dbraw/zinc/15/99/31/988159931.db2.gz BBCMVGRBAOQWHO-LLVKDONJSA-N 2 1 247.333 1.139 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589131 988160694 /nfs/dbraw/zinc/16/06/94/988160694.db2.gz RUGHDDZWYBFBSR-JLLWLGSASA-N 2 1 214.328 1.936 20 0 BDADMP C[C@H](CC1CC1)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589131 988160712 /nfs/dbraw/zinc/16/07/12/988160712.db2.gz RUGHDDZWYBFBSR-JLLWLGSASA-N 2 1 214.328 1.936 20 0 BDADMP C[C@@H]1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246589850 988163733 /nfs/dbraw/zinc/16/37/33/988163733.db2.gz GZOAJSFRWIWDHP-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590330 988169487 /nfs/dbraw/zinc/16/94/87/988169487.db2.gz SKCKKNFFUBYMSJ-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C[C@@]1(C)O ZINC001246593032 988180931 /nfs/dbraw/zinc/18/09/31/988180931.db2.gz RJPDQIQJFHSFCG-MROQNXINSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246593390 988181335 /nfs/dbraw/zinc/18/13/35/988181335.db2.gz MSEPVVWXXIOOIK-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CO1 ZINC001246607613 988224242 /nfs/dbraw/zinc/22/42/42/988224242.db2.gz GTYDLKRBCWDGST-OCCSQVGLSA-N 2 1 238.375 1.772 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)CO1 ZINC001246607613 988224266 /nfs/dbraw/zinc/22/42/66/988224266.db2.gz GTYDLKRBCWDGST-OCCSQVGLSA-N 2 1 238.375 1.772 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246610082 988239071 /nfs/dbraw/zinc/23/90/71/988239071.db2.gz ORDYNMDJIPYQKJ-KGLIPLIRSA-N 2 1 237.391 1.299 20 0 BDADMP C1CC12CNCC[N@H+]2[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246621300 988263543 /nfs/dbraw/zinc/26/35/43/988263543.db2.gz CIUNJOBBHTTWQZ-KGLIPLIRSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12C[NH2+]CCN2[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246621300 988263554 /nfs/dbraw/zinc/26/35/54/988263554.db2.gz CIUNJOBBHTTWQZ-KGLIPLIRSA-N 2 1 249.402 1.347 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246623560 988279356 /nfs/dbraw/zinc/27/93/56/988279356.db2.gz AROAXBYPZNJWPU-IXXDHKBRSA-N 3 1 249.402 1.345 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246623560 988279374 /nfs/dbraw/zinc/27/93/74/988279374.db2.gz AROAXBYPZNJWPU-IXXDHKBRSA-N 3 1 249.402 1.345 20 0 BDADMP CCCC[C@@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246625355 988283367 /nfs/dbraw/zinc/28/33/67/988283367.db2.gz QHGGHDGPPATMKM-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C1CC12CNCC[N@H+]2[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246624557 988285012 /nfs/dbraw/zinc/28/50/12/988285012.db2.gz NREISCOWPJFWLF-ZDUSSCGKSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12C[NH2+]CCN2[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246624557 988285028 /nfs/dbraw/zinc/28/50/28/988285028.db2.gz NREISCOWPJFWLF-ZDUSSCGKSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630828 988302686 /nfs/dbraw/zinc/30/26/86/988302686.db2.gz PJNQXTAWTPSUDG-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]1 ZINC001246630828 988302703 /nfs/dbraw/zinc/30/27/03/988302703.db2.gz PJNQXTAWTPSUDG-YIYPIFLZSA-N 3 1 237.391 1.058 20 0 BDADMP CC[C@H]1C[C@H](N2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246630097 988305149 /nfs/dbraw/zinc/30/51/49/988305149.db2.gz RSDSRLLIUNORGA-NWDGAFQWSA-N 2 1 243.370 1.280 20 0 BDADMP CC1(C)[C@@H]2C[C@H](N3CC[NH2+]C[C@@]34CC[NH2+]C4)C[C@@H]21 ZINC001246629529 988307718 /nfs/dbraw/zinc/30/77/18/988307718.db2.gz OLIOGWKWVFZINO-XFMPKHEZSA-N 2 1 249.402 1.058 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246634699 988319764 /nfs/dbraw/zinc/31/97/64/988319764.db2.gz AWRPRQATZMDUOJ-GBJTYRQASA-N 3 1 249.402 1.345 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCCSC2)[NH2+]1 ZINC001246637772 988333366 /nfs/dbraw/zinc/33/33/66/988333366.db2.gz JVZOBGIUXVEWIA-HBNTYKKESA-N 2 1 212.362 1.318 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)CCO1 ZINC001246643025 988358029 /nfs/dbraw/zinc/35/80/29/988358029.db2.gz LRMXUVCMIWZZAM-MCIONIFRSA-N 2 1 238.375 1.772 20 0 BDADMP C1C[C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246657445 988387973 /nfs/dbraw/zinc/38/79/73/988387973.db2.gz QMAHJCPQQJIMTA-JHJVBQTASA-N 2 1 208.349 1.860 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](C1CCC3(C[NH2+]C3)CC1)C2 ZINC001246665725 988405164 /nfs/dbraw/zinc/40/51/64/988405164.db2.gz PUKONCYOQJNDMZ-IUODEOHRSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@@H+](C1CCC3(C[NH2+]C3)CC1)C2 ZINC001246665725 988405168 /nfs/dbraw/zinc/40/51/68/988405168.db2.gz PUKONCYOQJNDMZ-IUODEOHRSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@H+](C1CCC3(C[NH2+]C3)CC1)C2 ZINC001246665725 988405177 /nfs/dbraw/zinc/40/51/77/988405177.db2.gz PUKONCYOQJNDMZ-IUODEOHRSA-N 2 1 249.402 1.332 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246688209 988436441 /nfs/dbraw/zinc/43/64/41/988436441.db2.gz CUOACXQOWFZIFI-IZXDZPFWSA-N 2 1 237.391 1.294 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246781047 988452216 /nfs/dbraw/zinc/45/22/16/988452216.db2.gz MVRXRXMXPVZYHK-WCQYABFASA-N 3 1 225.380 1.058 20 0 BDADMP c1cc([C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)ccn1 ZINC001246773656 988452843 /nfs/dbraw/zinc/45/28/43/988452843.db2.gz CCSCRDXLRIRUSL-CYBMUJFWSA-N 2 1 231.343 1.623 20 0 BDADMP CC[N@@H+](C1CCN(C)CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246784943 988459450 /nfs/dbraw/zinc/45/94/50/988459450.db2.gz IQRWELCOLISLPY-OCCSQVGLSA-N 2 1 239.407 1.543 20 0 BDADMP CCN(C1CC[NH+](C)CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246784943 988459460 /nfs/dbraw/zinc/45/94/60/988459460.db2.gz IQRWELCOLISLPY-OCCSQVGLSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246794572 988472591 /nfs/dbraw/zinc/47/25/91/988472591.db2.gz GAVSSOLGXQKDRY-LBPRGKRZSA-N 3 1 227.396 1.306 20 0 BDADMP CCOC(=O)[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246814993 988494693 /nfs/dbraw/zinc/49/46/93/988494693.db2.gz BIRZVLPKYKSCNS-GRYCIOLGSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC001246828371 988514497 /nfs/dbraw/zinc/51/44/97/988514497.db2.gz AVZVXHHOFVFGKI-BJDJZHNGSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1CC[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[NH2+]1 ZINC001246830990 988520893 /nfs/dbraw/zinc/52/08/93/988520893.db2.gz JMZQMECMLZZUIJ-ZOBORPQBSA-N 2 1 237.391 1.153 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246853773 988571988 /nfs/dbraw/zinc/57/19/88/988571988.db2.gz SUJVQSZXRZKBNR-HABKJSAYSA-N 2 1 236.359 1.570 20 0 BDADMP CC(=O)[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246853774 988572402 /nfs/dbraw/zinc/57/24/02/988572402.db2.gz SUJVQSZXRZKBNR-ICIURTGMSA-N 2 1 236.359 1.570 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCOC3)CC[NH2+]1 ZINC001246855068 988576698 /nfs/dbraw/zinc/57/66/98/988576698.db2.gz SGLCLDWCIZICLW-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C[C@H]12 ZINC001246855005 988579343 /nfs/dbraw/zinc/57/93/43/988579343.db2.gz RTVZPGGHZKPWJG-UJPOAAIJSA-N 2 1 224.348 1.094 20 0 BDADMP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861090 988604406 /nfs/dbraw/zinc/60/44/06/988604406.db2.gz QKNUFLZNAUPLJE-JABUTEAWSA-N 2 1 238.375 1.471 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+]([C@H]1CCc3c(F)cccc3C1)C2 ZINC001246868671 988630791 /nfs/dbraw/zinc/63/07/91/988630791.db2.gz KCEVJFNPDLZUCX-HUBLWGQQSA-N 2 1 246.329 1.716 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+]([C@H]1CCc3c(F)cccc3C1)C2 ZINC001246868671 988630807 /nfs/dbraw/zinc/63/08/07/988630807.db2.gz KCEVJFNPDLZUCX-HUBLWGQQSA-N 2 1 246.329 1.716 20 0 BDADMP COC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246910640 988687927 /nfs/dbraw/zinc/68/79/27/988687927.db2.gz BDWNJXGEGIVEBS-CMPLNLGQSA-N 2 1 240.347 1.154 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246911231 988699522 /nfs/dbraw/zinc/69/95/22/988699522.db2.gz AXFLBYOBYCFYSR-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246911231 988699526 /nfs/dbraw/zinc/69/95/26/988699526.db2.gz AXFLBYOBYCFYSR-CHWSQXEVSA-N 2 1 237.391 1.202 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)[C@@H]2CC[C@@H](C)NC2)CC1 ZINC001246918572 988711304 /nfs/dbraw/zinc/71/13/04/988711304.db2.gz LBNMSCZYNGKPOA-BLYZHGLHSA-N 2 1 239.407 1.589 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CC[C@@H](C)NC2)CC1 ZINC001246918572 988711330 /nfs/dbraw/zinc/71/13/30/988711330.db2.gz LBNMSCZYNGKPOA-BLYZHGLHSA-N 2 1 239.407 1.589 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246917787 988713153 /nfs/dbraw/zinc/71/31/53/988713153.db2.gz SZSQMNMVIOHIAU-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246917787 988713170 /nfs/dbraw/zinc/71/31/70/988713170.db2.gz SZSQMNMVIOHIAU-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP Cc1ncccc1C[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246919981 988723495 /nfs/dbraw/zinc/72/34/95/988723495.db2.gz XPIAJJBRXVYGIC-RISCZKNCSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[N@H+](C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246919981 988723505 /nfs/dbraw/zinc/72/35/05/988723505.db2.gz XPIAJJBRXVYGIC-RISCZKNCSA-N 2 1 233.359 1.962 20 0 BDADMP C1[NH2+][C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924885 988751412 /nfs/dbraw/zinc/75/14/12/988751412.db2.gz NIOTZTBVIWTOSD-JLVJUDLZSA-N 3 1 249.402 1.202 20 0 BDADMP C1N[C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924885 988751430 /nfs/dbraw/zinc/75/14/30/988751430.db2.gz NIOTZTBVIWTOSD-JLVJUDLZSA-N 2 1 249.402 1.202 20 0 BDADMP C1N[C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924885 988751451 /nfs/dbraw/zinc/75/14/51/988751451.db2.gz NIOTZTBVIWTOSD-JLVJUDLZSA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+][C@H]2CN(C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]12 ZINC001246924885 988751471 /nfs/dbraw/zinc/75/14/71/988751471.db2.gz NIOTZTBVIWTOSD-JLVJUDLZSA-N 2 1 249.402 1.202 20 0 BDADMP C1[C@@H]2C[C@H]([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@H]12 ZINC001246933119 988763503 /nfs/dbraw/zinc/76/35/03/988763503.db2.gz PZGVYVQPDUSVSC-KCLGILNXSA-N 2 1 220.360 1.716 20 0 BDADMP C1CC2(C[C@H]1[N@H+]1C[C@@H]3CC[C@H]1CN3)CC[NH2+]CC2 ZINC001246941834 988774004 /nfs/dbraw/zinc/77/40/04/988774004.db2.gz CGJVGOFWZWVZLZ-IHRRRGAJSA-N 2 1 249.402 1.345 20 0 BDADMP C1CC2(C[C@H]1N1C[C@@H]3CC[C@H]1C[NH2+]3)CC[NH2+]CC2 ZINC001246941834 988774017 /nfs/dbraw/zinc/77/40/17/988774017.db2.gz CGJVGOFWZWVZLZ-IHRRRGAJSA-N 2 1 249.402 1.345 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC001324288724 988785078 /nfs/dbraw/zinc/78/50/78/988785078.db2.gz ORDDQCVOUBFNQE-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](N)C[N@@H+](C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246980386 988787907 /nfs/dbraw/zinc/78/79/07/988787907.db2.gz HZVVTRYCKOYADC-YNEHKIRRSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])CN(C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246980386 988787914 /nfs/dbraw/zinc/78/79/14/988787914.db2.gz HZVVTRYCKOYADC-YNEHKIRRSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])C3(COC3)C2)C[C@@H](C)C1 ZINC001246985300 988814826 /nfs/dbraw/zinc/81/48/26/988814826.db2.gz AOHNPHCCXHDMKZ-MROQNXINSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])C3(COC3)C2)C[C@@H](C)C1 ZINC001246985300 988814832 /nfs/dbraw/zinc/81/48/32/988814832.db2.gz AOHNPHCCXHDMKZ-MROQNXINSA-N 2 1 238.375 1.471 20 0 BDADMP CC(C)CC[C@@H](C)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990293 988819992 /nfs/dbraw/zinc/81/99/92/988819992.db2.gz PZNBLHXWQXEKSK-VXGBXAGGSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)CC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990293 988819997 /nfs/dbraw/zinc/81/99/97/988819997.db2.gz PZNBLHXWQXEKSK-VXGBXAGGSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990293 988820003 /nfs/dbraw/zinc/82/00/03/988820003.db2.gz PZNBLHXWQXEKSK-VXGBXAGGSA-N 2 1 226.364 1.471 20 0 BDADMP CCCC[C@@H](CC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990778 988823730 /nfs/dbraw/zinc/82/37/30/988823730.db2.gz QKVMSBNPGIUAKO-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP CCCC[C@@H](CC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990778 988823734 /nfs/dbraw/zinc/82/37/34/988823734.db2.gz QKVMSBNPGIUAKO-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP CCC1CCC([N@@H+]2C[C@H]([NH3+])C3(COC3)C2)CC1 ZINC001246992293 988824162 /nfs/dbraw/zinc/82/41/62/988824162.db2.gz VPMFUTDVKMYXJD-BPCQOVAHSA-N 2 1 238.375 1.615 20 0 BDADMP CCC1CCC([N@H+]2C[C@H]([NH3+])C3(COC3)C2)CC1 ZINC001246992293 988824166 /nfs/dbraw/zinc/82/41/66/988824166.db2.gz VPMFUTDVKMYXJD-BPCQOVAHSA-N 2 1 238.375 1.615 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC001246997925 988833631 /nfs/dbraw/zinc/83/36/31/988833631.db2.gz WDWGGQBVTRAPLR-JHJVBQTASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]([NH3+])c1nc2ccc(C[NH+](C)C)cc2[nH]1 ZINC001247019948 988843380 /nfs/dbraw/zinc/84/33/80/988843380.db2.gz JDLNRFQZCBYVAQ-QMMMGPOBSA-N 2 1 218.304 1.644 20 0 BDADMP C1[C@@H]2C[C@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@H]12 ZINC001247016331 988846004 /nfs/dbraw/zinc/84/60/04/988846004.db2.gz SVCDSQYKCLOQOZ-PEBLQZBPSA-N 2 1 220.360 1.859 20 0 BDADMP C1[C@@H]2C[C@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@H]12 ZINC001247016331 988846005 /nfs/dbraw/zinc/84/60/05/988846005.db2.gz SVCDSQYKCLOQOZ-PEBLQZBPSA-N 2 1 220.360 1.859 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001325624521 989219593 /nfs/dbraw/zinc/21/95/93/989219593.db2.gz DXTVIATVIOLSAU-NSHDSACASA-N 2 1 244.342 1.524 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1c[nH]nc1C ZINC001325743833 989246413 /nfs/dbraw/zinc/24/64/13/989246413.db2.gz QECFQTOGNGFXOF-IUCAKERBSA-N 2 1 210.325 1.224 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C1 ZINC001326036495 989338637 /nfs/dbraw/zinc/33/86/37/989338637.db2.gz HRGSPGCTVHUCRU-JHJVBQTASA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC001326036495 989338648 /nfs/dbraw/zinc/33/86/48/989338648.db2.gz HRGSPGCTVHUCRU-JHJVBQTASA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC001326036495 989338656 /nfs/dbraw/zinc/33/86/56/989338656.db2.gz HRGSPGCTVHUCRU-JHJVBQTASA-N 3 1 227.396 1.434 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccnn1C(C)C ZINC001326074602 989363095 /nfs/dbraw/zinc/36/30/95/989363095.db2.gz FZGQXCJXXPVVLG-NSHDSACASA-N 2 1 224.352 1.552 20 0 BDADMP CC[N@H+]1CCC[C@H](CNc2cc[nH+]c(C)c2)C1 ZINC001120007009 989560735 /nfs/dbraw/zinc/56/07/35/989560735.db2.gz FAZMUTIFCHSJFC-CYBMUJFWSA-N 2 1 233.359 1.956 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC(C)(C)[NH3+])C[C@@H]2C1 ZINC001120269336 989624586 /nfs/dbraw/zinc/62/45/86/989624586.db2.gz QCTKZWNISAAZRL-RWMBFGLXSA-N 3 1 239.407 1.386 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](CC(C)(C)N)C[C@@H]2C1 ZINC001120269336 989624588 /nfs/dbraw/zinc/62/45/88/989624588.db2.gz QCTKZWNISAAZRL-RWMBFGLXSA-N 2 1 239.407 1.386 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC(C)(C)N)C[C@@H]2C1 ZINC001120269336 989624593 /nfs/dbraw/zinc/62/45/93/989624593.db2.gz QCTKZWNISAAZRL-RWMBFGLXSA-N 2 1 239.407 1.386 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCCC(F)F)C1CC1 ZINC001120380299 989650316 /nfs/dbraw/zinc/65/03/16/989650316.db2.gz JYIAFAIHCPIVRK-JTQLQIEISA-N 2 1 236.306 1.076 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCC(F)F)C1CC1 ZINC001120380299 989650322 /nfs/dbraw/zinc/65/03/22/989650322.db2.gz JYIAFAIHCPIVRK-JTQLQIEISA-N 2 1 236.306 1.076 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCCC(F)F)C1CC1 ZINC001120380300 989650531 /nfs/dbraw/zinc/65/05/31/989650531.db2.gz JYIAFAIHCPIVRK-SNVBAGLBSA-N 2 1 236.306 1.076 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCC(F)F)C1CC1 ZINC001120380300 989650534 /nfs/dbraw/zinc/65/05/34/989650534.db2.gz JYIAFAIHCPIVRK-SNVBAGLBSA-N 2 1 236.306 1.076 20 0 BDADMP C[C@@H](C[NH3+])c1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001326976268 989796801 /nfs/dbraw/zinc/79/68/01/989796801.db2.gz DFAXBCKJUMCIKB-WCBMZHEXSA-N 2 1 232.287 1.180 20 0 BDADMP Cc1cccc(NCCNc2cc[nH+]cc2)[nH+]1 ZINC001120779810 989877320 /nfs/dbraw/zinc/87/73/20/989877320.db2.gz PAOMHBYYKTVIDS-UHFFFAOYSA-N 2 1 228.299 1.731 20 0 BDADMP C[N@H+](CCNc1cc[nH+]c(N)n1)C1CCCCC1 ZINC001120810574 989894961 /nfs/dbraw/zinc/89/49/61/989894961.db2.gz UJIRNLLJOFAJHY-UHFFFAOYSA-N 2 1 249.362 1.735 20 0 BDADMP C[N@@H+](CCNc1cc[nH+]c(N)n1)C1CCCCC1 ZINC001120810574 989894962 /nfs/dbraw/zinc/89/49/62/989894962.db2.gz UJIRNLLJOFAJHY-UHFFFAOYSA-N 2 1 249.362 1.735 20 0 BDADMP [NH3+]C[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001537810946 990516718 /nfs/dbraw/zinc/51/67/18/990516718.db2.gz ONTIRTKDTIJIRW-IHRRRGAJSA-N 2 1 216.328 1.713 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001258102276 991015362 /nfs/dbraw/zinc/01/53/62/991015362.db2.gz ZKGLOQJHQJXQSM-SNVBAGLBSA-N 2 1 230.352 1.435 20 0 BDADMP CCC1(C[N@@H+](C)C2CC[NH+](C)CC2)COC1 ZINC001202912889 991208463 /nfs/dbraw/zinc/20/84/63/991208463.db2.gz YAFPMEVEACAHSK-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CCC1(C[N@H+](C)C2CC[NH+](C)CC2)COC1 ZINC001202912889 991208449 /nfs/dbraw/zinc/20/84/49/991208449.db2.gz YAFPMEVEACAHSK-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001258350890 991286362 /nfs/dbraw/zinc/28/63/62/991286362.db2.gz DYPADLDDYYGYOV-NWDGAFQWSA-N 2 1 242.363 1.260 20 0 BDADMP CC[C@H](C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)OC ZINC001560055575 991369346 /nfs/dbraw/zinc/36/93/46/991369346.db2.gz FTVLPHDIQFHAAJ-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)OC ZINC001560055575 991369356 /nfs/dbraw/zinc/36/93/56/991369356.db2.gz FTVLPHDIQFHAAJ-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@H](C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)OC ZINC001560055575 991369339 /nfs/dbraw/zinc/36/93/39/991369339.db2.gz FTVLPHDIQFHAAJ-FRRDWIJNSA-N 2 1 226.364 1.295 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNCc2ccnn2C)C1 ZINC001560297392 991449317 /nfs/dbraw/zinc/44/93/17/991449317.db2.gz CEGUWNWBEBXHCR-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001560297392 991449324 /nfs/dbraw/zinc/44/93/24/991449324.db2.gz CEGUWNWBEBXHCR-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001560297392 991449329 /nfs/dbraw/zinc/44/93/29/991449329.db2.gz CEGUWNWBEBXHCR-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccnnc3)C2)CC1 ZINC001139983657 991462526 /nfs/dbraw/zinc/46/25/26/991462526.db2.gz FOQBJJVCWQJFTI-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccco3)[C@H]2C1 ZINC001560622894 991522053 /nfs/dbraw/zinc/52/20/53/991522053.db2.gz ODZRZFULIGGJPZ-DRZSPHRISA-N 2 1 220.316 1.709 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccco3)[C@H]2C1 ZINC001560622894 991522065 /nfs/dbraw/zinc/52/20/65/991522065.db2.gz ODZRZFULIGGJPZ-DRZSPHRISA-N 2 1 220.316 1.709 20 0 BDADMP Cc1ncoc1C[NH2+]C[C@@H]1C[NH+]2CCC1CC2 ZINC001561034612 991695472 /nfs/dbraw/zinc/69/54/72/991695472.db2.gz XCMUOYJQPVDTEE-GFCCVEGCSA-N 2 1 235.331 1.414 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](OC)C2)CC1 ZINC001258771747 991734759 /nfs/dbraw/zinc/73/47/59/991734759.db2.gz SDSKHRQXKQRSFY-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([NH+]2CC(COC)C2)CC1 ZINC001258771806 991738839 /nfs/dbraw/zinc/73/88/39/991738839.db2.gz VVIUYQDXOVYOBI-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+]1CCC(N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001258775525 991740394 /nfs/dbraw/zinc/74/03/94/991740394.db2.gz RWHCUEBLOYXBSR-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CCC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001258811286 991818102 /nfs/dbraw/zinc/81/81/02/991818102.db2.gz XRRTZYORAHVNAA-IJLUTSLNSA-N 2 1 237.347 1.496 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@](N)(CC)CO ZINC001258902321 991895271 /nfs/dbraw/zinc/89/52/71/991895271.db2.gz RWRCYUHNPJVTSW-STQMWFEESA-N 2 1 245.411 1.144 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1CO ZINC001258910756 991897816 /nfs/dbraw/zinc/89/78/16/991897816.db2.gz UPKJGSPADMMTFQ-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH2+]CCN(CC)C(=O)C[N@@H+](C)C(C)C ZINC001568800291 992215289 /nfs/dbraw/zinc/21/52/89/992215289.db2.gz GVQVZEJERKXNIP-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cnn(C)c1 ZINC001261423914 992297813 /nfs/dbraw/zinc/29/78/13/992297813.db2.gz IQBIKPIMAVOLJO-PWSUYJOCSA-N 2 1 224.352 1.459 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001261566656 992389900 /nfs/dbraw/zinc/38/99/00/992389900.db2.gz VBJWZHKWJXHBSJ-RYUDHWBXSA-N 2 1 240.395 1.631 20 0 BDADMP C(C1=NOCC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001574773875 992903331 /nfs/dbraw/zinc/90/33/31/992903331.db2.gz GDLWVSCLZORCRA-NEPJUHHUSA-N 2 1 237.347 1.084 20 0 BDADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001575125435 992994025 /nfs/dbraw/zinc/99/40/25/992994025.db2.gz RJQMOBIYGPGMCY-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)(C)OC1CC([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC001575248444 993001789 /nfs/dbraw/zinc/00/17/89/993001789.db2.gz XXLWGQBAXUEERP-UHFFFAOYSA-N 2 1 238.375 1.674 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1CC(CF)(CF)C1 ZINC001575318629 993011006 /nfs/dbraw/zinc/01/10/06/993011006.db2.gz WJUUEDOJHPBAAF-UHFFFAOYSA-N 2 1 206.280 1.401 20 0 BDADMP CC(C)(C[NH3+])CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001575314961 993012433 /nfs/dbraw/zinc/01/24/33/993012433.db2.gz FWVAWGZTGSZBHS-LLVKDONJSA-N 2 1 227.396 1.434 20 0 BDADMP Nc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ncn1 ZINC001262701400 993044906 /nfs/dbraw/zinc/04/49/06/993044906.db2.gz LFDRKDDKJQJLQW-WDEREUQCSA-N 2 1 247.346 1.488 20 0 BDADMP CC(C)[C@H](O)CC[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001575470869 993051094 /nfs/dbraw/zinc/05/10/94/993051094.db2.gz FDEQHNSQVXAZDM-RKDXNWHRSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CS1 ZINC001575499250 993059057 /nfs/dbraw/zinc/05/90/57/993059057.db2.gz QTUGNKBFMDMPJG-QZQSVVMZSA-N 2 1 240.416 1.858 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[N@H+](C)C1 ZINC001575839267 993112357 /nfs/dbraw/zinc/11/23/57/993112357.db2.gz VHDIZUYOXHPUQL-VXGBXAGGSA-N 2 1 213.369 1.044 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[N@@H+](C)C1 ZINC001575839267 993112366 /nfs/dbraw/zinc/11/23/66/993112366.db2.gz VHDIZUYOXHPUQL-VXGBXAGGSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC001575967961 993144234 /nfs/dbraw/zinc/14/42/34/993144234.db2.gz QTRNYSNPKRBKBB-WDEREUQCSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)O ZINC001576081771 993172759 /nfs/dbraw/zinc/17/27/59/993172759.db2.gz QHOSWFJJYLMTAM-OUAUKWLOSA-N 2 1 214.353 1.205 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001576155758 993195849 /nfs/dbraw/zinc/19/58/49/993195849.db2.gz CESTVTRMSCWIQA-TUAOUCFPSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001576155758 993195858 /nfs/dbraw/zinc/19/58/58/993195858.db2.gz CESTVTRMSCWIQA-TUAOUCFPSA-N 2 1 212.337 1.367 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000378675456 993199918 /nfs/dbraw/zinc/19/99/18/993199918.db2.gz OLSHQBJAEVPZEJ-CYBMUJFWSA-N 2 1 219.332 1.703 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CCOc2ccccc2)CC1 ZINC000378794084 993203864 /nfs/dbraw/zinc/20/38/64/993203864.db2.gz PJMCZFXTGXTNPA-CYBMUJFWSA-N 2 1 234.343 1.879 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[NH2+]C2)C1 ZINC001576440859 993307539 /nfs/dbraw/zinc/30/75/39/993307539.db2.gz UDCLDYXGQWUDDG-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CC1(C)OC[C@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])O1 ZINC001576494735 993316681 /nfs/dbraw/zinc/31/66/81/993316681.db2.gz FFWZXTARJOOWCI-NEPJUHHUSA-N 2 1 242.363 1.341 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001576484157 993319464 /nfs/dbraw/zinc/31/94/64/993319464.db2.gz OFXMKFZGWCXZGU-FRRDWIJNSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001576574813 993349655 /nfs/dbraw/zinc/34/96/55/993349655.db2.gz YUIDATYYBBHZBL-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC001576572305 993351068 /nfs/dbraw/zinc/35/10/68/993351068.db2.gz KOCRCHYSYNXENY-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1[C@@H](N(C)C)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573610 993351674 /nfs/dbraw/zinc/35/16/74/993351674.db2.gz SNPPSLKXUNOBGT-XQHKEYJVSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC001576636371 993378681 /nfs/dbraw/zinc/37/86/81/993378681.db2.gz JCNWKGPQBFJCNY-SZQBSXBZSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000381306652 993385867 /nfs/dbraw/zinc/38/58/67/993385867.db2.gz KNPFACONALWIPV-CMPLNLGQSA-N 2 1 217.316 1.541 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC3(C2)OCCO3)C[NH2+]1 ZINC001576667921 993386976 /nfs/dbraw/zinc/38/69/76/993386976.db2.gz WOONGNWCFHOPCC-GRYCIOLGSA-N 2 1 240.347 1.012 20 0 BDADMP CSCC[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000381362411 993389592 /nfs/dbraw/zinc/38/95/92/993389592.db2.gz FXGCICZZKBVPMP-NEPJUHHUSA-N 2 1 246.420 1.174 20 0 BDADMP C[C@@H]1CCC[N@H+](CC2=NOCC2)[C@H]1CC[NH3+] ZINC001576704064 993400211 /nfs/dbraw/zinc/40/02/11/993400211.db2.gz LDBGYUILYKTFQS-PWSUYJOCSA-N 2 1 225.336 1.212 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2=NOCC2)[C@H]1CC[NH3+] ZINC001576704064 993400215 /nfs/dbraw/zinc/40/02/15/993400215.db2.gz LDBGYUILYKTFQS-PWSUYJOCSA-N 2 1 225.336 1.212 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC001576729153 993405252 /nfs/dbraw/zinc/40/52/52/993405252.db2.gz DUTDNXJLDQDUFZ-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@H]1C[NH3+] ZINC001576734693 993411935 /nfs/dbraw/zinc/41/19/35/993411935.db2.gz IMWREGDFBSVYRY-ZYHUDNBSSA-N 2 1 235.331 1.204 20 0 BDADMP C[C@H]1C[N@@H+](CC23CC(C)(C2)OC3)CC[C@@H]1[NH3+] ZINC001576801687 993427106 /nfs/dbraw/zinc/42/71/06/993427106.db2.gz SWVNYJYLQZXZOL-ZSVAQUKISA-N 2 1 224.348 1.225 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[NH2+]C[C@H](C)C1 ZINC001576849070 993432443 /nfs/dbraw/zinc/43/24/43/993432443.db2.gz BCXWWMUHIIJHLE-JHJVBQTASA-N 2 1 227.396 1.303 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCC2CSC2)C1 ZINC001576850581 993435080 /nfs/dbraw/zinc/43/50/80/993435080.db2.gz UIUIURXMNSLLDP-MWLCHTKSSA-N 2 1 214.378 1.327 20 0 BDADMP CC[C@](C)(CCO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001576949215 993464083 /nfs/dbraw/zinc/46/40/83/993464083.db2.gz SFBDTWPTOICQGM-RKDXNWHRSA-N 2 1 242.285 1.407 20 0 BDADMP CC[C@](C)(CCO)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001576949113 993465659 /nfs/dbraw/zinc/46/56/59/993465659.db2.gz SFBDTWPTOICQGM-DTWKUNHWSA-N 2 1 242.285 1.407 20 0 BDADMP CC[C@@H](C)[N@H+](CC(=O)OC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996724 993482061 /nfs/dbraw/zinc/48/20/61/993482061.db2.gz WIYBPXFHELPBQC-GRYCIOLGSA-N 2 1 242.363 1.387 20 0 BDADMP CC[C@H](C)C[NH2+]CCCCC[NH+]1CCNCC1 ZINC001576992820 993483246 /nfs/dbraw/zinc/48/32/46/993483246.db2.gz PCULJMPPNLKUPB-AWEZNQCLSA-N 2 1 241.423 1.698 20 0 BDADMP CC[C@@H](C)[N@@H+](CCO)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996422 993483389 /nfs/dbraw/zinc/48/33/89/993483389.db2.gz RDJYWSREIZGNCU-GRYCIOLGSA-N 2 1 214.353 1.207 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001577044129 993487915 /nfs/dbraw/zinc/48/79/15/993487915.db2.gz OZOBNUHEZSCTTA-IVZWLZJFSA-N 2 1 238.322 1.356 20 0 BDADMP CCC(CC)(C[NH3+])NC(=O)C[N@@H+](C)C1CCC1 ZINC001577051835 993489950 /nfs/dbraw/zinc/48/99/50/993489950.db2.gz BCJOZCCYEZUVGY-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@H](CO)[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001577090097 993499619 /nfs/dbraw/zinc/49/96/19/993499619.db2.gz PKQVVAFVISCWLI-JHJVBQTASA-N 2 1 226.364 1.208 20 0 BDADMP COC[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000383832736 993522465 /nfs/dbraw/zinc/52/24/65/993522465.db2.gz RNWQNNACMZUOGL-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]([NH2+]C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001577172186 993527164 /nfs/dbraw/zinc/52/71/64/993527164.db2.gz OEEDMTDKUUPEQR-SNVBAGLBSA-N 2 1 238.335 1.147 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@]2(O)CCC[NH2+]C2)[C@H]1C ZINC001577262273 993565742 /nfs/dbraw/zinc/56/57/42/993565742.db2.gz FNAVJCSMITZNKL-XQQFMLRXSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1CN(C)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577279465 993576020 /nfs/dbraw/zinc/57/60/20/993576020.db2.gz HTJZLZASBATZRR-YNEHKIRRSA-N 2 1 225.380 1.140 20 0 BDADMP CCCC[C@H](C[NH3+])NC(=O)C[N@@H+](CC)C1CC1 ZINC001577390303 993637671 /nfs/dbraw/zinc/63/76/71/993637671.db2.gz JVTTWIZDKUBVCP-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[C@@H](C[NH3+])NC(=O)C[N@@H+](CC)C1CC1 ZINC001577390305 993638604 /nfs/dbraw/zinc/63/86/04/993638604.db2.gz JVTTWIZDKUBVCP-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[N@@H+](CCCO)CCC[NH2+]C ZINC001577455245 993664087 /nfs/dbraw/zinc/66/40/87/993664087.db2.gz YOHONEWNHRHOMW-UHFFFAOYSA-N 2 1 202.342 1.080 20 0 BDADMP CCCC[N@@H+](CCCO)CC1(C[NH3+])CC1 ZINC001577454399 993664391 /nfs/dbraw/zinc/66/43/91/993664391.db2.gz FTUYEQGPASYOQL-UHFFFAOYSA-N 2 1 214.353 1.210 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC1([NH3+])CC1 ZINC001577510517 993677391 /nfs/dbraw/zinc/67/73/91/993677391.db2.gz QQLCEIDQIDBXDS-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP Cn1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000386881539 993694823 /nfs/dbraw/zinc/69/48/23/993694823.db2.gz WSLNEIPYFMWBSM-UHFFFAOYSA-N 2 1 248.374 1.179 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC23CCOCC3)CC1 ZINC000386949238 993699261 /nfs/dbraw/zinc/69/92/61/993699261.db2.gz WHHYMCIRTLGAHW-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC001577655174 993706865 /nfs/dbraw/zinc/70/68/65/993706865.db2.gz UPHCPCDUUOBWAO-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP CC[N@@H+](C)CCC(=O)NCCC[NH+](C)C(C)C ZINC001265056108 993812496 /nfs/dbraw/zinc/81/24/96/993812496.db2.gz VLISXSONOIPYPP-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CC[NH+](C)CCC(=O)NCCC[N@H+](C)C(C)C ZINC001265056108 993812500 /nfs/dbraw/zinc/81/25/00/993812500.db2.gz VLISXSONOIPYPP-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CC[NH+](C)CCC(=O)NCCC[N@@H+](C)C(C)C ZINC001265056108 993812508 /nfs/dbraw/zinc/81/25/08/993812508.db2.gz VLISXSONOIPYPP-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000702057710 993954301 /nfs/dbraw/zinc/95/43/01/993954301.db2.gz FWNSZZWMHLWQEO-FVCCEPFGSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000702057710 993954308 /nfs/dbraw/zinc/95/43/08/993954308.db2.gz FWNSZZWMHLWQEO-FVCCEPFGSA-N 2 1 224.348 1.095 20 0 BDADMP CCC1(C[NH2+][C@H]2CCC[N@@H+](C)CC2)COC1 ZINC000393965337 994024650 /nfs/dbraw/zinc/02/46/50/994024650.db2.gz NKSKRNDREQHWDD-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H]([NH3+])CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394155835 994046945 /nfs/dbraw/zinc/04/69/45/994046945.db2.gz KFLWTMGBCOXTJJ-ACJTYDJDSA-N 2 1 225.380 1.281 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724230689 994061857 /nfs/dbraw/zinc/06/18/57/994061857.db2.gz QHYVAFRGQDCENY-IYKVGLELSA-N 2 1 212.337 1.364 20 0 BDADMP CCC(CC)(C[NH3+])C[NH+]1CCOCC1 ZINC000051208272 168323017 /nfs/dbraw/zinc/32/30/17/168323017.db2.gz LXTJJYPNPCNUKH-UHFFFAOYSA-N 2 1 200.326 1.084 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCOC1 ZINC000161724188 349490448 /nfs/dbraw/zinc/49/04/48/349490448.db2.gz URTKQUKMKBXHKK-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP FC(F)COCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647956607 398173525 /nfs/dbraw/zinc/17/35/25/398173525.db2.gz QHQVNANOLPMPPY-GFCCVEGCSA-N 2 1 248.317 1.344 20 0 BDADMP FC(F)COCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647956607 398173526 /nfs/dbraw/zinc/17/35/26/398173526.db2.gz QHQVNANOLPMPPY-GFCCVEGCSA-N 2 1 248.317 1.344 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000390454131 398173813 /nfs/dbraw/zinc/17/38/13/398173813.db2.gz CCYCBOBTIPCGMF-YPMHNXCESA-N 2 1 208.349 1.860 20 0 BDADMP COc1cc(F)cc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000423019885 398161385 /nfs/dbraw/zinc/16/13/85/398161385.db2.gz XQUGQWQOLUJDDI-UHFFFAOYSA-N 2 1 238.306 1.676 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3cn[nH]c3)C[C@@H]21 ZINC000379746317 398163976 /nfs/dbraw/zinc/16/39/76/398163976.db2.gz BWXGSPNMMFCIMZ-RWMBFGLXSA-N 2 1 234.347 1.011 20 0 BDADMP [NH3+]C[C@@H]1CCCN1c1cc[nH+]cc1Cl ZINC000086840547 398192148 /nfs/dbraw/zinc/19/21/48/398192148.db2.gz BOMMWCFSZHFRGQ-QMMMGPOBSA-N 2 1 211.696 1.663 20 0 BDADMP C[NH+]1CCC([NH2+]CCOCC2CCCC2)CC1 ZINC000313281605 398184703 /nfs/dbraw/zinc/18/47/03/398184703.db2.gz LDSVEKGAFVJRRS-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)cc[nH+]1 ZINC000365348935 178113767 /nfs/dbraw/zinc/11/37/67/178113767.db2.gz XZIMECOCPSXNQU-CYBMUJFWSA-N 2 1 249.358 1.283 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000380588357 398201409 /nfs/dbraw/zinc/20/14/09/398201409.db2.gz SCBNHUFZRDZPPM-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)nc(C)[nH+]1 ZINC000127038344 178122578 /nfs/dbraw/zinc/12/25/78/178122578.db2.gz PRRWMTOLUUNLIH-ONGXEEELSA-N 2 1 220.320 1.267 20 0 BDADMP Cc1cc(NCC[N@@H+]2CCOCC2(C)C)cc[nH+]1 ZINC000186002737 178161837 /nfs/dbraw/zinc/16/18/37/178161837.db2.gz BGRTUFICYUQZSG-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP Cc1cc(NCC[N@H+]2CCOCC2(C)C)cc[nH+]1 ZINC000186002737 178161839 /nfs/dbraw/zinc/16/18/39/178161839.db2.gz BGRTUFICYUQZSG-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000649413767 398212097 /nfs/dbraw/zinc/21/20/97/398212097.db2.gz CIFQNMYLGDLRMB-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP c1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)nc1 ZINC000649411669 398213075 /nfs/dbraw/zinc/21/30/75/398213075.db2.gz PWIZTKUDHSGLQK-JSGCOSHPSA-N 2 1 231.343 1.828 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649414409 398213174 /nfs/dbraw/zinc/21/31/74/398213174.db2.gz YHOCVMZEECCXPQ-KGLIPLIRSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000386809870 398220170 /nfs/dbraw/zinc/22/01/70/398220170.db2.gz RPIGLNPZVMFZJJ-ZWNOBZJWSA-N 2 1 236.363 1.169 20 0 BDADMP Cc1cc(C)n(CC[N@H+](C)CC(C)(C)C[NH3+])n1 ZINC000386827799 398221090 /nfs/dbraw/zinc/22/10/90/398221090.db2.gz VIGVOVURVBCWKS-UHFFFAOYSA-N 2 1 238.379 1.417 20 0 BDADMP CCC(CC)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336673925 168351659 /nfs/dbraw/zinc/35/16/59/168351659.db2.gz GWBYVMDWDFSQPB-OLZOCXBDSA-N 2 1 210.365 1.964 20 0 BDADMP Cc1ncsc1CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430557957 398227900 /nfs/dbraw/zinc/22/79/00/398227900.db2.gz OURMVGWDDXHEGA-GFCCVEGCSA-N 2 1 239.388 1.711 20 0 BDADMP COCCCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430557203 398228175 /nfs/dbraw/zinc/22/81/75/398228175.db2.gz SBOGVXAWMLFLSY-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1 ZINC000094010900 398244461 /nfs/dbraw/zinc/24/44/61/398244461.db2.gz JJUHZLBAEXOZKG-CQSZACIVSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@@H+](CCC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367214076 398249070 /nfs/dbraw/zinc/24/90/70/398249070.db2.gz ZISFCTRSYALYPC-FUNVUKJBSA-N 2 1 240.391 1.704 20 0 BDADMP C[NH+](CCC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367214076 398249074 /nfs/dbraw/zinc/24/90/74/398249074.db2.gz ZISFCTRSYALYPC-FUNVUKJBSA-N 2 1 240.391 1.704 20 0 BDADMP C[NH+](CCC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367214076 398249077 /nfs/dbraw/zinc/24/90/77/398249077.db2.gz ZISFCTRSYALYPC-FUNVUKJBSA-N 2 1 240.391 1.704 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)OC ZINC000381337604 398252353 /nfs/dbraw/zinc/25/23/53/398252353.db2.gz AUEJXUFGEUESIB-MJBXVCDLSA-N 2 1 242.407 1.979 20 0 BDADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000382156186 398256060 /nfs/dbraw/zinc/25/60/60/398256060.db2.gz RILCYBSFLDJYGJ-YPMHNXCESA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000381543970 398262574 /nfs/dbraw/zinc/26/25/74/398262574.db2.gz JIIGLTRAFJCVOM-AGIUHOORSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000180095007 538957159 /nfs/dbraw/zinc/95/71/59/538957159.db2.gz VJEMVTGJPKFKFR-ZYHUDNBSSA-N 2 1 248.374 1.853 20 0 BDADMP CN(CC[N@@H+](C)CC1CC1)C1CC[NH+](C)CC1 ZINC000162191225 349599867 /nfs/dbraw/zinc/59/98/67/349599867.db2.gz KKMSTFAWUNMUNT-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccccc1 ZINC000385228164 342698230 /nfs/dbraw/zinc/69/82/30/342698230.db2.gz INWBVDREVRTZDA-YPMHNXCESA-N 2 1 204.317 1.651 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccccc1 ZINC000385228164 342698232 /nfs/dbraw/zinc/69/82/32/342698232.db2.gz INWBVDREVRTZDA-YPMHNXCESA-N 2 1 204.317 1.651 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678044667 488179624 /nfs/dbraw/zinc/17/96/24/488179624.db2.gz RKGFBIOCJDOXAH-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631838658 398285300 /nfs/dbraw/zinc/28/53/00/398285300.db2.gz SKNUIMHOZGJYME-DGCLKSJQSA-N 2 1 234.343 1.722 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000649489764 398286344 /nfs/dbraw/zinc/28/63/44/398286344.db2.gz GRAQWQNOHUIBSM-CQSZACIVSA-N 2 1 237.391 1.108 20 0 BDADMP CCC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000380008523 538983747 /nfs/dbraw/zinc/98/37/47/538983747.db2.gz QMQWBIGLLKSQJE-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCc1ccncc1 ZINC000381982030 398293880 /nfs/dbraw/zinc/29/38/80/398293880.db2.gz INICBKMAWJPDGR-UHFFFAOYSA-N 2 1 207.321 1.295 20 0 BDADMP CCc1nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cc(C)[nH+]1 ZINC000383064570 539011100 /nfs/dbraw/zinc/01/11/00/539011100.db2.gz OJOQHSWNFNXBIG-GHMZBOCLSA-N 2 1 232.331 1.003 20 0 BDADMP C/C=C\C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624199187 342842010 /nfs/dbraw/zinc/84/20/10/342842010.db2.gz IQIXAERSRJRIHA-PYLYLYNFSA-N 2 1 238.375 1.796 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCCCO ZINC000390403499 539021403 /nfs/dbraw/zinc/02/14/03/539021403.db2.gz ATLPTYOBHMRYGW-CHWSQXEVSA-N 2 1 230.396 1.857 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649506085 398299672 /nfs/dbraw/zinc/29/96/72/398299672.db2.gz ATTILOFUSSKPID-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000232647845 342867145 /nfs/dbraw/zinc/86/71/45/342867145.db2.gz LWMGUVIHRPVMFL-ZDUSSCGKSA-N 2 1 248.374 1.804 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000232647845 342867146 /nfs/dbraw/zinc/86/71/46/342867146.db2.gz LWMGUVIHRPVMFL-ZDUSSCGKSA-N 2 1 248.374 1.804 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386046904 342905233 /nfs/dbraw/zinc/90/52/33/342905233.db2.gz UOBKQQRAOVDZPV-MJBXVCDLSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@]1(O)CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000495260837 529441893 /nfs/dbraw/zinc/44/18/93/529441893.db2.gz HZFZFUUGRZVZRN-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@]1(O)CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000495260837 529441894 /nfs/dbraw/zinc/44/18/94/529441894.db2.gz HZFZFUUGRZVZRN-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@]1(O)CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000495260837 529441895 /nfs/dbraw/zinc/44/18/95/529441895.db2.gz HZFZFUUGRZVZRN-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP COC1CC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000234695502 342933962 /nfs/dbraw/zinc/93/39/62/342933962.db2.gz BNJYSNSFDGMFET-PNESKVBLSA-N 2 1 226.364 1.484 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000560944271 398337596 /nfs/dbraw/zinc/33/75/96/398337596.db2.gz CUCURMZRHBPJKM-SECBINFHSA-N 2 1 239.388 1.966 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916061 398335224 /nfs/dbraw/zinc/33/52/24/398335224.db2.gz NZGKLXVHEHVFJR-IHRRRGAJSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC1=[NH+]CCCN1 ZINC000448103555 398340064 /nfs/dbraw/zinc/34/00/64/398340064.db2.gz UMSCHQPHVUGRQR-LLVKDONJSA-N 2 1 238.379 1.046 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000335424776 398341354 /nfs/dbraw/zinc/34/13/54/398341354.db2.gz IMZBHIPUXYWQGA-PWSUYJOCSA-N 2 1 224.348 1.380 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000336681129 346903678 /nfs/dbraw/zinc/90/36/78/346903678.db2.gz BJQIVNXWQXSISX-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000336681126 346903517 /nfs/dbraw/zinc/90/35/17/346903517.db2.gz BJQIVNXWQXSISX-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000562902482 323033224 /nfs/dbraw/zinc/03/32/24/323033224.db2.gz WOCNBMONAHYRIH-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000562902482 323033225 /nfs/dbraw/zinc/03/32/25/323033225.db2.gz WOCNBMONAHYRIH-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@H](C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000562902482 323033226 /nfs/dbraw/zinc/03/32/26/323033226.db2.gz WOCNBMONAHYRIH-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CSC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000576863785 365706975 /nfs/dbraw/zinc/70/69/75/365706975.db2.gz MJXTZSHDIRWLGR-RYUDHWBXSA-N 2 1 246.420 1.032 20 0 BDADMP C[C@@H]([NH2+]CCOCC1CCC1)[C@H]1CCC[NH2+]1 ZINC000562959585 323035277 /nfs/dbraw/zinc/03/52/77/323035277.db2.gz KKBJLOYFALGNKP-DGCLKSJQSA-N 2 1 226.364 1.533 20 0 BDADMP CC(C)n1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000576976295 365740212 /nfs/dbraw/zinc/74/02/12/365740212.db2.gz UUQAXQGWLAHTGG-DGCLKSJQSA-N 2 1 236.363 1.681 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc[nH]c1 ZINC000401753890 343218112 /nfs/dbraw/zinc/21/81/12/343218112.db2.gz ZKDZVQKYZQOJFW-UHFFFAOYSA-N 2 1 204.277 1.081 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000134388876 343194583 /nfs/dbraw/zinc/19/45/83/343194583.db2.gz PEVNENPVNFGETM-AVGNSLFASA-N 2 1 226.364 1.484 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000310120609 343288543 /nfs/dbraw/zinc/28/85/43/343288543.db2.gz ACCHZIFXURZMAB-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH2+]C[C@H]1CCCN1CCCn1cc[nH+]c1C ZINC000348755395 136297176 /nfs/dbraw/zinc/29/71/76/136297176.db2.gz HBNKIQDHLLEXHC-CYBMUJFWSA-N 2 1 236.363 1.265 20 0 BDADMP Cc1nccn1CCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000348756352 136297240 /nfs/dbraw/zinc/29/72/40/136297240.db2.gz NUTQFUZYJFZTFQ-DGCLKSJQSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000348756352 136297241 /nfs/dbraw/zinc/29/72/41/136297241.db2.gz NUTQFUZYJFZTFQ-DGCLKSJQSA-N 3 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000348756352 136297242 /nfs/dbraw/zinc/29/72/42/136297242.db2.gz NUTQFUZYJFZTFQ-DGCLKSJQSA-N 3 1 236.363 1.251 20 0 BDADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000335644282 136303691 /nfs/dbraw/zinc/30/36/91/136303691.db2.gz RRURDIVHGDGFRY-CHWSQXEVSA-N 2 1 246.354 1.504 20 0 BDADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000335643104 136308775 /nfs/dbraw/zinc/30/87/75/136308775.db2.gz NKVXUPFMMOKFMO-RYUDHWBXSA-N 2 1 232.327 1.504 20 0 BDADMP c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000335642347 136309047 /nfs/dbraw/zinc/30/90/47/136309047.db2.gz IBDSHBXGVCGXEN-AWEZNQCLSA-N 2 1 245.370 1.607 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000166217512 136309785 /nfs/dbraw/zinc/30/97/85/136309785.db2.gz BVLRQCZWGMHSIS-CMPLNLGQSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1ncsc1CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166217251 136309926 /nfs/dbraw/zinc/30/99/26/136309926.db2.gz PXALRNXZOUZEDC-KOLCDFICSA-N 2 1 239.388 1.663 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000166226552 136314113 /nfs/dbraw/zinc/31/41/13/136314113.db2.gz UNJXXNKNLHQCIW-PWSUYJOCSA-N 2 1 222.307 1.995 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCn2cc(C)cn2)C1 ZINC000310243717 343400741 /nfs/dbraw/zinc/40/07/41/343400741.db2.gz USAZFXDJHBXAJD-CYBMUJFWSA-N 2 1 236.363 1.123 20 0 BDADMP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000335699308 136328404 /nfs/dbraw/zinc/32/84/04/136328404.db2.gz TXAIGHGSHGLTSJ-CYBMUJFWSA-N 2 1 249.358 1.464 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@H]1CCOC1 ZINC000166301915 136343694 /nfs/dbraw/zinc/34/36/94/136343694.db2.gz GHOORAZAQHVHSO-IHRRRGAJSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000166332504 136350791 /nfs/dbraw/zinc/35/07/91/136350791.db2.gz ZPUUIYUBKCJXPN-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000335712714 136337747 /nfs/dbraw/zinc/33/77/47/136337747.db2.gz KFDPMLVFYHRRED-GFCCVEGCSA-N 2 1 245.370 1.825 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400419625 529712343 /nfs/dbraw/zinc/71/23/43/529712343.db2.gz WKPXFHTVEWVPRO-RHYQMDGZSA-N 2 1 214.353 1.266 20 0 BDADMP Cc1cc(NC[C@H]([NH3+])C2CC2)nc(C)[nH+]1 ZINC000082593883 343450054 /nfs/dbraw/zinc/45/00/54/343450054.db2.gz NXJFGKLEFCQPOA-JTQLQIEISA-N 2 1 206.293 1.243 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000261542326 136374361 /nfs/dbraw/zinc/37/43/61/136374361.db2.gz GRDVDMIIHKJDGS-TUAOUCFPSA-N 2 1 226.389 1.566 20 0 BDADMP CSCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000379598725 343582320 /nfs/dbraw/zinc/58/23/20/343582320.db2.gz HVGRIWYCCZZTKY-UHFFFAOYSA-N 2 1 214.378 1.566 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000379995839 365786481 /nfs/dbraw/zinc/78/64/81/365786481.db2.gz JHAVUNSGZIOPJE-WDEREUQCSA-N 2 1 214.328 1.951 20 0 BDADMP Cc1nc(C)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000083825800 343675859 /nfs/dbraw/zinc/67/58/59/343675859.db2.gz ZAWQOQCTVQJLJI-QWRGUYRKSA-N 2 1 237.372 1.411 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000132240932 133501947 /nfs/dbraw/zinc/50/19/47/133501947.db2.gz ZOQDWSGIKGEULQ-VHSXEESVSA-N 2 1 200.326 1.094 20 0 BDADMP CC(C)OCC[N@@H+](C)[C@H](CN)C1CC1 ZINC000087976750 343682901 /nfs/dbraw/zinc/68/29/01/343682901.db2.gz VATMOBVRGSQFIE-LLVKDONJSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)OCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000087976750 343682902 /nfs/dbraw/zinc/68/29/02/343682902.db2.gz VATMOBVRGSQFIE-LLVKDONJSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)OCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000087976750 343682904 /nfs/dbraw/zinc/68/29/04/343682904.db2.gz VATMOBVRGSQFIE-LLVKDONJSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@H](O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000380172649 343686399 /nfs/dbraw/zinc/68/63/99/343686399.db2.gz DUQNWNUTORGVJR-WYUUTHIRSA-N 2 1 214.353 1.076 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584182715 343770873 /nfs/dbraw/zinc/77/08/73/343770873.db2.gz IZLCBYCJDRHDRR-OLZOCXBDSA-N 2 1 239.407 1.720 20 0 BDADMP CC1(C)CCCN1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584182715 343770876 /nfs/dbraw/zinc/77/08/76/343770876.db2.gz IZLCBYCJDRHDRR-OLZOCXBDSA-N 2 1 239.407 1.720 20 0 BDADMP C1C([NH2+][C@@H]2CCCOC2)CC1[NH+]1CCCCC1 ZINC000336487151 537813281 /nfs/dbraw/zinc/81/32/81/537813281.db2.gz AOGCHZZLJKZBBQ-IYXRBSQSSA-N 2 1 238.375 1.772 20 0 BDADMP C1C([NH2+][C@H]2CCCOC2)CC1[NH+]1CCCCC1 ZINC000336487150 537814053 /nfs/dbraw/zinc/81/40/53/537814053.db2.gz AOGCHZZLJKZBBQ-HSBZDZAISA-N 2 1 238.375 1.772 20 0 BDADMP CCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309203511 346991741 /nfs/dbraw/zinc/99/17/41/346991741.db2.gz RRDJVJNDLMTKPV-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP CCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309203511 346991743 /nfs/dbraw/zinc/99/17/43/346991743.db2.gz RRDJVJNDLMTKPV-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000037859781 178612137 /nfs/dbraw/zinc/61/21/37/178612137.db2.gz XLJPBSVTJLSMAC-HNNXBMFYSA-N 2 1 248.370 1.541 20 0 BDADMP C[NH2+]Cc1cn(Cc2c(C)cc(C)[nH+]c2C)nn1 ZINC000641187285 362258455 /nfs/dbraw/zinc/25/84/55/362258455.db2.gz INCOEHOCFZQVCY-UHFFFAOYSA-N 2 1 245.330 1.366 20 0 BDADMP CC(C)CSCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000393787600 343928749 /nfs/dbraw/zinc/92/87/49/343928749.db2.gz WIKATAGIEKTILY-BETUJISGSA-N 2 1 242.432 1.917 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000309343788 347037838 /nfs/dbraw/zinc/03/78/38/347037838.db2.gz LFHVMFYBHNJUSH-GFCCVEGCSA-N 3 1 227.396 1.578 20 0 BDADMP CC[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000400032226 344238304 /nfs/dbraw/zinc/23/83/04/344238304.db2.gz IYZICOBISJWXDT-YPMHNXCESA-N 2 1 237.347 1.055 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000400032226 344238307 /nfs/dbraw/zinc/23/83/07/344238307.db2.gz IYZICOBISJWXDT-YPMHNXCESA-N 2 1 237.347 1.055 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779756 344316733 /nfs/dbraw/zinc/31/67/33/344316733.db2.gz FGBBEPSOWVFPOI-BETUJISGSA-N 2 1 226.364 1.297 20 0 BDADMP CC[N@H+](Cc1ccccn1)CC1CC[NH2+]CC1 ZINC000094011518 344324838 /nfs/dbraw/zinc/32/48/38/344324838.db2.gz JCEZCLYCLVPOBD-UHFFFAOYSA-N 2 1 233.359 1.903 20 0 BDADMP C[C@H]1C[C@H](N)C[N@H+]1CCCOCC(F)(F)F ZINC000385204549 344376418 /nfs/dbraw/zinc/37/64/18/344376418.db2.gz SYFKOEDAUPFZOF-IUCAKERBSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCOCC(F)(F)F ZINC000385204549 344376420 /nfs/dbraw/zinc/37/64/20/344376420.db2.gz SYFKOEDAUPFZOF-IUCAKERBSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCOCC(F)(F)F ZINC000385204549 344376422 /nfs/dbraw/zinc/37/64/22/344376422.db2.gz SYFKOEDAUPFZOF-IUCAKERBSA-N 2 1 240.269 1.377 20 0 BDADMP Cc1nc(N[C@H]2CCC[NH2+]CC2)c(C)c(C)[nH+]1 ZINC000634813395 344398140 /nfs/dbraw/zinc/39/81/40/344398140.db2.gz JFZVYBBXAFBXPO-LBPRGKRZSA-N 2 1 234.347 1.956 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000158338347 344604026 /nfs/dbraw/zinc/60/40/26/344604026.db2.gz QMCDIIZDEUICAB-PWSUYJOCSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000158338347 344604028 /nfs/dbraw/zinc/60/40/28/344604028.db2.gz QMCDIIZDEUICAB-PWSUYJOCSA-N 2 1 235.331 1.259 20 0 BDADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000578355143 344804453 /nfs/dbraw/zinc/80/44/53/344804453.db2.gz ZCJROPXSZAEPJW-ONGXEEELSA-N 2 1 248.330 1.084 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000562988590 323078331 /nfs/dbraw/zinc/07/83/31/323078331.db2.gz QCEHVTAPQZXZON-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CCCC1 ZINC000583388968 344871779 /nfs/dbraw/zinc/87/17/79/344871779.db2.gz RETAECXEDARMJS-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CCCC1 ZINC000583388968 344871781 /nfs/dbraw/zinc/87/17/81/344871781.db2.gz RETAECXEDARMJS-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1CCCC1 ZINC000583388968 344871783 /nfs/dbraw/zinc/87/17/83/344871783.db2.gz RETAECXEDARMJS-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1CCCC1 ZINC000583388968 344871787 /nfs/dbraw/zinc/87/17/87/344871787.db2.gz RETAECXEDARMJS-CQSZACIVSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000155850698 345110526 /nfs/dbraw/zinc/11/05/26/345110526.db2.gz LGBUDZLQQIVVFD-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000155850698 345110528 /nfs/dbraw/zinc/11/05/28/345110528.db2.gz LGBUDZLQQIVVFD-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000155850698 345110531 /nfs/dbraw/zinc/11/05/31/345110531.db2.gz LGBUDZLQQIVVFD-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000634990787 345173149 /nfs/dbraw/zinc/17/31/49/345173149.db2.gz CMBDKVFGYJQGAF-JHJVBQTASA-N 3 1 227.396 1.277 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000634990787 345173152 /nfs/dbraw/zinc/17/31/52/345173152.db2.gz CMBDKVFGYJQGAF-JHJVBQTASA-N 3 1 227.396 1.277 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)CC[N@@H+]1C ZINC000156556523 345175309 /nfs/dbraw/zinc/17/53/09/345175309.db2.gz CAGYARYUVLWXRE-OUAUKWLOSA-N 2 1 214.378 1.564 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)CC[N@H+]1C ZINC000156556523 345175313 /nfs/dbraw/zinc/17/53/13/345175313.db2.gz CAGYARYUVLWXRE-OUAUKWLOSA-N 2 1 214.378 1.564 20 0 BDADMP C[C@@H]1C[C@@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000634993558 345190419 /nfs/dbraw/zinc/19/04/19/345190419.db2.gz XZWFECVFEIZUIR-ZIHBUVQPSA-N 2 1 237.391 1.153 20 0 BDADMP c1c[nH+]c([C@@H]2CCCN(CC34CC(C3)C[NH2+]4)C2)[nH]1 ZINC000634992382 345180425 /nfs/dbraw/zinc/18/04/25/345180425.db2.gz NBKKWIRVOGWYLD-MBHSVXNSSA-N 2 1 246.358 1.341 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000634996662 345191400 /nfs/dbraw/zinc/19/14/00/345191400.db2.gz QHRQMASDEAWYNQ-JHJVBQTASA-N 3 1 227.396 1.134 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000634996662 345191402 /nfs/dbraw/zinc/19/14/02/345191402.db2.gz QHRQMASDEAWYNQ-JHJVBQTASA-N 3 1 227.396 1.134 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccon1 ZINC000634953947 345129730 /nfs/dbraw/zinc/12/97/30/345129730.db2.gz OKXVCOKHABRUQF-UHFFFAOYSA-N 2 1 220.276 1.359 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000634996665 345191139 /nfs/dbraw/zinc/19/11/39/345191139.db2.gz QHRQMASDEAWYNQ-YNEHKIRRSA-N 3 1 227.396 1.134 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000634996665 345191140 /nfs/dbraw/zinc/19/11/40/345191140.db2.gz QHRQMASDEAWYNQ-YNEHKIRRSA-N 3 1 227.396 1.134 20 0 BDADMP CO[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC[C@@H]1C ZINC000634993826 345191766 /nfs/dbraw/zinc/19/17/66/345191766.db2.gz HLRPRWYXPGDLMQ-GMKTYKIGSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC[C@@H]1C ZINC000634993826 345191768 /nfs/dbraw/zinc/19/17/68/345191768.db2.gz HLRPRWYXPGDLMQ-GMKTYKIGSA-N 2 1 224.348 1.095 20 0 BDADMP CC(C)[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000634993662 345192124 /nfs/dbraw/zinc/19/21/24/345192124.db2.gz BDTSASGFHYEJKO-ROKHWSDSSA-N 2 1 237.391 1.010 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CC23CC(C2)C[NH2+]3)C[C@H]1C ZINC000634994052 345192846 /nfs/dbraw/zinc/19/28/46/345192846.db2.gz PDZWPIMLCORFDQ-KBHBFKLGSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1C[NH3+] ZINC000634998699 345198032 /nfs/dbraw/zinc/19/80/32/345198032.db2.gz JLRFVPFQGOQZHN-NXEZZACHSA-N 2 1 210.346 1.775 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCn2nccc21 ZINC000635001804 345202201 /nfs/dbraw/zinc/20/22/01/345202201.db2.gz GHMUKEDXCSZDJM-FRRDWIJNSA-N 2 1 248.374 1.838 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000635003517 345206243 /nfs/dbraw/zinc/20/62/43/345206243.db2.gz DNZAVBPGNZRGEJ-MLGHIDQZSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccncn1 ZINC000635013514 345218241 /nfs/dbraw/zinc/21/82/41/345218241.db2.gz YVHQEAKHBDNMAE-VXGBXAGGSA-N 2 1 248.374 1.905 20 0 BDADMP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CC[NH2+]C1 ZINC000159284948 345421946 /nfs/dbraw/zinc/42/19/46/345421946.db2.gz CZLCHKIHRUUVIA-AWEZNQCLSA-N 2 1 241.338 1.729 20 0 BDADMP C[NH2+]CCNc1cc[nH+]cc1Br ZINC000159894772 345585327 /nfs/dbraw/zinc/58/53/27/345585327.db2.gz GZSMQOSJYDVYFF-UHFFFAOYSA-N 2 1 230.109 1.475 20 0 BDADMP C[C@@H](C[NH3+])Nc1[nH+]c2cccc(F)c2n1C ZINC000212502487 345738224 /nfs/dbraw/zinc/73/82/24/345738224.db2.gz UWDVNJYPIARHHZ-ZETCQYMHSA-N 2 1 222.267 1.472 20 0 BDADMP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300394690 345813906 /nfs/dbraw/zinc/81/39/06/345813906.db2.gz VUIWIJJROVPWOP-IJLUTSLNSA-N 2 1 246.420 1.173 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159988541 345772452 /nfs/dbraw/zinc/77/24/52/345772452.db2.gz DBIFVIOGBOMAEP-UPJWGTAASA-N 2 1 226.364 1.364 20 0 BDADMP CC[NH+]1CCC(CN[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400761739 345782686 /nfs/dbraw/zinc/78/26/86/345782686.db2.gz YIBBXKNTLTTXIN-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1cc(N2CCC[C@H]2C[NH+](C)C)nc(C)[nH+]1 ZINC000436451577 537916422 /nfs/dbraw/zinc/91/64/22/537916422.db2.gz UFSSZSWYZAHBAW-LBPRGKRZSA-N 2 1 234.347 1.624 20 0 BDADMP Cc1c[nH]c(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000628240396 346202539 /nfs/dbraw/zinc/20/25/39/346202539.db2.gz CTIDPDCWUWKPPZ-GHMZBOCLSA-N 2 1 222.336 1.243 20 0 BDADMP C[N@@H+]1C[C@H]2CN(Cc3cnc(C4CC4)o3)C[C@H]2C1 ZINC000628253291 346229627 /nfs/dbraw/zinc/22/96/27/346229627.db2.gz AKLXNIOBQWUTEZ-TXEJJXNPSA-N 2 1 247.342 1.545 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](CO)CCC(C)C)CC1 ZINC000624108989 346237949 /nfs/dbraw/zinc/23/79/49/346237949.db2.gz KAHVPZUVHOXKBE-AWEZNQCLSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cccc(C)c1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336756884 179033670 /nfs/dbraw/zinc/03/36/70/179033670.db2.gz YRKMSBZHZWNWKA-LBPRGKRZSA-N 2 1 222.332 1.055 20 0 BDADMP [NH3+]CCC1CC[NH+](Cc2cscn2)CC1 ZINC000069729896 349953772 /nfs/dbraw/zinc/95/37/72/349953772.db2.gz XWMAQGOAUSQBPI-UHFFFAOYSA-N 2 1 225.361 1.704 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000380187499 346377443 /nfs/dbraw/zinc/37/74/43/346377443.db2.gz GZUOAPPULXCBTK-QWRGUYRKSA-N 2 1 207.321 1.741 20 0 BDADMP C[C@@H]1CCCN(CCc2c[nH+]cn2C)[C@@H]1C[NH3+] ZINC000641797015 362741668 /nfs/dbraw/zinc/74/16/68/362741668.db2.gz PRTKKHPKGJFMNX-DGCLKSJQSA-N 2 1 236.363 1.022 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1C ZINC000380044357 365825590 /nfs/dbraw/zinc/82/55/90/365825590.db2.gz VIWOEYCMDPOREB-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1C ZINC000380044357 365825595 /nfs/dbraw/zinc/82/55/95/365825595.db2.gz VIWOEYCMDPOREB-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000380044357 365825599 /nfs/dbraw/zinc/82/55/99/365825599.db2.gz VIWOEYCMDPOREB-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000380044357 365825605 /nfs/dbraw/zinc/82/56/05/365825605.db2.gz VIWOEYCMDPOREB-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000104949886 346548360 /nfs/dbraw/zinc/54/83/60/346548360.db2.gz AQNHIZZXFFESMF-OKILXGFUSA-N 2 1 239.407 1.497 20 0 BDADMP Cc1cccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC000228551172 179123847 /nfs/dbraw/zinc/12/38/47/179123847.db2.gz QLVLYBAGWLPYMM-YNEHKIRRSA-N 2 1 231.343 1.954 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C[C@@H](C)COC ZINC000188080563 346741172 /nfs/dbraw/zinc/74/11/72/346741172.db2.gz SXFGCVQRCYNRTD-GFCCVEGCSA-N 2 1 216.369 1.590 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H](C)COC ZINC000188080563 346741173 /nfs/dbraw/zinc/74/11/73/346741173.db2.gz SXFGCVQRCYNRTD-GFCCVEGCSA-N 2 1 216.369 1.590 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCSC1)C2 ZINC000622004898 370655018 /nfs/dbraw/zinc/65/50/18/370655018.db2.gz WEEJOJWXRHUDEU-UTUOFQBUSA-N 2 1 226.389 1.553 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNCc2cocn2)C1 ZINC000309678137 347132611 /nfs/dbraw/zinc/13/26/11/347132611.db2.gz YMLPWGMCRIRXAR-NSHDSACASA-N 2 1 223.320 1.496 20 0 BDADMP COCC1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000571225029 323138623 /nfs/dbraw/zinc/13/86/23/323138623.db2.gz QYIJNHMAEFLLPP-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325449 347206471 /nfs/dbraw/zinc/20/64/71/347206471.db2.gz CLKPHZVEAHUHLY-IJLUTSLNSA-N 2 1 242.363 1.245 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325449 347206477 /nfs/dbraw/zinc/20/64/77/347206477.db2.gz CLKPHZVEAHUHLY-IJLUTSLNSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ncc[nH]1 ZINC000252979879 133652680 /nfs/dbraw/zinc/65/26/80/133652680.db2.gz JVXURIIHNSBZSU-GARJFASQSA-N 2 1 222.336 1.578 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250491466 362806221 /nfs/dbraw/zinc/80/62/21/362806221.db2.gz YDOBYDVGFJQPKW-QNMSZWNNSA-N 2 1 238.375 1.770 20 0 BDADMP [NH3+][C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000250655244 362815958 /nfs/dbraw/zinc/81/59/58/362815958.db2.gz UYCYGECWSULEDD-CABCVRRESA-N 2 1 245.370 1.294 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252766713 347417837 /nfs/dbraw/zinc/41/78/37/347417837.db2.gz JEGXPSBYVOLSBK-QJPTWQEYSA-N 2 1 219.332 1.812 20 0 BDADMP CCC[C@H](C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194537251 347423532 /nfs/dbraw/zinc/42/35/32/347423532.db2.gz WYJFWWXPDCLPQG-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP CCC[C@H](C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194537251 347423534 /nfs/dbraw/zinc/42/35/34/347423534.db2.gz WYJFWWXPDCLPQG-RWMBFGLXSA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])O1 ZINC000149781000 347518256 /nfs/dbraw/zinc/51/82/56/347518256.db2.gz RDGPMMVRCIHPAD-MNOVXSKESA-N 2 1 214.353 1.471 20 0 BDADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CCCC1 ZINC000082419928 347584704 /nfs/dbraw/zinc/58/47/04/347584704.db2.gz PYMIIRYTXYBBDT-UHFFFAOYSA-N 2 1 225.380 1.014 20 0 BDADMP COC(=O)c1coc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000592438872 347779182 /nfs/dbraw/zinc/77/91/82/347779182.db2.gz RLCUASXKNWQSPI-BDAKNGLRSA-N 2 1 240.303 1.282 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])O1 ZINC000251557635 362885989 /nfs/dbraw/zinc/88/59/89/362885989.db2.gz AEPSZJSPSCWIPF-FDYHWXHSSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])O1 ZINC000251557635 362885993 /nfs/dbraw/zinc/88/59/93/362885993.db2.gz AEPSZJSPSCWIPF-FDYHWXHSSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)O1 ZINC000397477221 362888188 /nfs/dbraw/zinc/88/81/88/362888188.db2.gz IEYINBGWWCEONU-XHJNMGKDSA-N 2 1 240.391 1.859 20 0 BDADMP C[C@H]1CC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251622219 362892316 /nfs/dbraw/zinc/89/23/16/362892316.db2.gz DLLWRGKRARTPHQ-BEUHCMRWSA-N 2 1 238.375 1.769 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623504346 362928292 /nfs/dbraw/zinc/92/82/92/362928292.db2.gz KLBUXXFZUJCILP-QJPTWQEYSA-N 2 1 228.380 1.872 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013446 490196002 /nfs/dbraw/zinc/19/60/02/490196002.db2.gz UMBLDQGRHRINAJ-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CCC[N@@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669383812 538013190 /nfs/dbraw/zinc/01/31/90/538013190.db2.gz YKPMPYOSZQSSML-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000049709333 348831212 /nfs/dbraw/zinc/83/12/12/348831212.db2.gz OGCXBMZPWNQLFE-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCCCO)CC1(C)C ZINC000623509511 362933911 /nfs/dbraw/zinc/93/39/11/362933911.db2.gz FYBFVTMQAHSRQX-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP CSCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598952581 349071745 /nfs/dbraw/zinc/07/17/45/349071745.db2.gz NKWGORCVBFUDGR-JTQLQIEISA-N 2 1 216.394 1.812 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000249890149 349165344 /nfs/dbraw/zinc/16/53/44/349165344.db2.gz RWXAJOXRDSUNDZ-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP COC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253113846 349224467 /nfs/dbraw/zinc/22/44/67/349224467.db2.gz HRWRJVQERLJKAI-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253113846 349224468 /nfs/dbraw/zinc/22/44/68/349224468.db2.gz HRWRJVQERLJKAI-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[N@H+](C)C[C@H](O)Cn1c[nH+]c2c1CCCC2 ZINC000383641282 349229243 /nfs/dbraw/zinc/22/92/43/349229243.db2.gz ZWIQTSQRIYECJC-NSHDSACASA-N 2 1 237.347 1.075 20 0 BDADMP CC[N@@H+](C)C[C@H](O)Cn1c[nH+]c2c1CCCC2 ZINC000383641282 349229246 /nfs/dbraw/zinc/22/92/46/349229246.db2.gz ZWIQTSQRIYECJC-NSHDSACASA-N 2 1 237.347 1.075 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCOC1 ZINC000252109823 349196112 /nfs/dbraw/zinc/19/61/12/349196112.db2.gz JKKMCGOAWBBARK-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000252578087 349200604 /nfs/dbraw/zinc/20/06/04/349200604.db2.gz KKNUVNWJHGQVAP-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CC[C@H]1CCC[NH2+]C1)C[C@H]1CCC[N@@H+]1C ZINC000252578087 349200605 /nfs/dbraw/zinc/20/06/05/349200605.db2.gz KKNUVNWJHGQVAP-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CC[C@H]1CCC[NH2+]C1)C[C@H]1CCC[N@H+]1C ZINC000252578087 349200608 /nfs/dbraw/zinc/20/06/08/349200608.db2.gz KKNUVNWJHGQVAP-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC=CCC1)C1CC1 ZINC000380977842 350073958 /nfs/dbraw/zinc/07/39/58/350073958.db2.gz BVYZQXXBAKPIIY-YPMHNXCESA-N 2 1 224.348 1.140 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC=CCC1)C1CC1 ZINC000380977842 350073961 /nfs/dbraw/zinc/07/39/61/350073961.db2.gz BVYZQXXBAKPIIY-YPMHNXCESA-N 2 1 224.348 1.140 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000070909065 350075522 /nfs/dbraw/zinc/07/55/22/350075522.db2.gz NMHDNAVRAATBSO-NWDGAFQWSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000070909065 350075523 /nfs/dbraw/zinc/07/55/23/350075523.db2.gz NMHDNAVRAATBSO-NWDGAFQWSA-N 2 1 219.332 1.702 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CO1 ZINC000402208862 350043860 /nfs/dbraw/zinc/04/38/60/350043860.db2.gz IXEAMSKMEXGYGD-IEECTRCBSA-N 2 1 226.364 1.482 20 0 BDADMP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2nccn2c1 ZINC000603884230 350047576 /nfs/dbraw/zinc/04/75/76/350047576.db2.gz CCRKYHBHGORQQN-LLVKDONJSA-N 2 1 244.298 1.367 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422702388 192434236 /nfs/dbraw/zinc/43/42/36/192434236.db2.gz DZFDJCBVUFUGPY-WXHSDQCUSA-N 2 1 228.380 1.514 20 0 BDADMP Cn1ccnc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219257388 350118253 /nfs/dbraw/zinc/11/82/53/350118253.db2.gz GIHZVYDSBPVKRW-NEPJUHHUSA-N 2 1 234.347 1.137 20 0 BDADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132446045 191032628 /nfs/dbraw/zinc/03/26/28/191032628.db2.gz JJDHRFSRTNMQCP-GHMZBOCLSA-N 2 1 216.394 1.812 20 0 BDADMP CSCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132499803 191033379 /nfs/dbraw/zinc/03/33/79/191033379.db2.gz BRSSLEOLPLRENC-QWRGUYRKSA-N 2 1 216.394 1.669 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CC2)CC[N@H+]1C ZINC000133121196 191037693 /nfs/dbraw/zinc/03/76/93/191037693.db2.gz HWLMYZLTJWUJPR-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CC2)CC[N@H+]1C ZINC000133121417 191037755 /nfs/dbraw/zinc/03/77/55/191037755.db2.gz HWLMYZLTJWUJPR-NWDGAFQWSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CCC[C@@H]1C ZINC000309195222 350166996 /nfs/dbraw/zinc/16/69/96/350166996.db2.gz AHLIJIMWHQHCPL-FRRDWIJNSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CCC[C@@H]1C ZINC000309195222 350167000 /nfs/dbraw/zinc/16/70/00/350167000.db2.gz AHLIJIMWHQHCPL-FRRDWIJNSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000309195222 350167003 /nfs/dbraw/zinc/16/70/03/350167003.db2.gz AHLIJIMWHQHCPL-FRRDWIJNSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000309195222 350167006 /nfs/dbraw/zinc/16/70/06/350167006.db2.gz AHLIJIMWHQHCPL-FRRDWIJNSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000314968482 350175163 /nfs/dbraw/zinc/17/51/63/350175163.db2.gz WIDMJUDGMDUUAO-AAEUAGOBSA-N 2 1 237.347 1.367 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427128211 191053671 /nfs/dbraw/zinc/05/36/71/191053671.db2.gz KACBPKBLXWCOPV-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000228076521 180146328 /nfs/dbraw/zinc/14/63/28/180146328.db2.gz CSDMFMUZWMTKSO-PSASIEDQSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncccc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310086452 180223673 /nfs/dbraw/zinc/22/36/73/180223673.db2.gz HATPEEXQYDLNOU-FZMZJTMJSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000310086452 180223675 /nfs/dbraw/zinc/22/36/75/180223675.db2.gz HATPEEXQYDLNOU-FZMZJTMJSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310086452 180223676 /nfs/dbraw/zinc/22/36/76/180223676.db2.gz HATPEEXQYDLNOU-FZMZJTMJSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310086452 180223678 /nfs/dbraw/zinc/22/36/78/180223678.db2.gz HATPEEXQYDLNOU-FZMZJTMJSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](CN)C1CC1 ZINC000360000377 180235138 /nfs/dbraw/zinc/23/51/38/180235138.db2.gz KVHBIEBXWGYQHQ-CYBMUJFWSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](CN)C1CC1 ZINC000360000377 180235139 /nfs/dbraw/zinc/23/51/39/180235139.db2.gz KVHBIEBXWGYQHQ-CYBMUJFWSA-N 2 1 236.363 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@H](C)O)C(C)C ZINC000305654376 180239631 /nfs/dbraw/zinc/23/96/31/180239631.db2.gz DDTZTBIPKPRULE-LBPRGKRZSA-N 2 1 239.363 1.673 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C[C@H](C)O)C(C)C ZINC000305654376 180239634 /nfs/dbraw/zinc/23/96/34/180239634.db2.gz DDTZTBIPKPRULE-LBPRGKRZSA-N 2 1 239.363 1.673 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1(CO)CC1 ZINC000285352681 180236887 /nfs/dbraw/zinc/23/68/87/180236887.db2.gz AXPFCSLPHPAXJV-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C1(CO)CC1 ZINC000285352681 180236890 /nfs/dbraw/zinc/23/68/90/180236890.db2.gz AXPFCSLPHPAXJV-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nncn1C ZINC000358788494 180246956 /nfs/dbraw/zinc/24/69/56/180246956.db2.gz GJPGBIMBKMCAAF-SNVBAGLBSA-N 2 1 248.334 1.061 20 0 BDADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)(O)CC1 ZINC000336714503 180240708 /nfs/dbraw/zinc/24/07/08/180240708.db2.gz TXGLOBINCIEYOK-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@@H]1C ZINC000293401703 180241419 /nfs/dbraw/zinc/24/14/19/180241419.db2.gz LPFLOEKTGWEYMC-QWRGUYRKSA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@@H]1C ZINC000293401703 180241422 /nfs/dbraw/zinc/24/14/22/180241422.db2.gz LPFLOEKTGWEYMC-QWRGUYRKSA-N 2 1 207.321 1.922 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccn1C ZINC000265673337 180243565 /nfs/dbraw/zinc/24/35/65/180243565.db2.gz XGYPNCBAVHUUSA-UHFFFAOYSA-N 2 1 232.331 1.710 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CC[C@H]1CCOC1 ZINC000338955346 180244219 /nfs/dbraw/zinc/24/42/19/180244219.db2.gz MSPYJQIKGVALNE-ZDUSSCGKSA-N 2 1 237.347 1.598 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nccn1C ZINC000264232608 180263938 /nfs/dbraw/zinc/26/39/38/180263938.db2.gz CIQBMRHUFKSASD-NSHDSACASA-N 2 1 247.346 1.351 20 0 BDADMP Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000026472791 350278266 /nfs/dbraw/zinc/27/82/66/350278266.db2.gz FAAJGRKBWPZWPV-CQSZACIVSA-N 2 1 234.343 1.545 20 0 BDADMP Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000026472791 350278269 /nfs/dbraw/zinc/27/82/69/350278269.db2.gz FAAJGRKBWPZWPV-CQSZACIVSA-N 2 1 234.343 1.545 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000328166088 350377032 /nfs/dbraw/zinc/37/70/32/350377032.db2.gz IXJMVKMMLOXKKG-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168494859 180318696 /nfs/dbraw/zinc/31/86/96/180318696.db2.gz KSSYCOBDPXIZHD-PSASIEDQSA-N 2 1 225.361 1.621 20 0 BDADMP C[C@@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537067 362955273 /nfs/dbraw/zinc/95/52/73/362955273.db2.gz LZFXJRCYXWVPIZ-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000070838054 180322472 /nfs/dbraw/zinc/32/24/72/180322472.db2.gz RLECJIFHSZXDOA-JTQLQIEISA-N 2 1 225.361 1.541 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000427983296 191104088 /nfs/dbraw/zinc/10/40/88/191104088.db2.gz DWAIDMSLNKKTJE-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000427983296 191104090 /nfs/dbraw/zinc/10/40/90/191104090.db2.gz DWAIDMSLNKKTJE-ZOBORPQBSA-N 2 1 240.391 1.467 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)OC)CC1 ZINC000336653314 350420591 /nfs/dbraw/zinc/42/05/91/350420591.db2.gz YACAATDHUPSDCN-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)OC)CC1 ZINC000336653314 350420594 /nfs/dbraw/zinc/42/05/94/350420594.db2.gz YACAATDHUPSDCN-LLVKDONJSA-N 2 1 214.353 1.437 20 0 BDADMP C[C@H](O)[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000162879530 350451913 /nfs/dbraw/zinc/45/19/13/350451913.db2.gz WLLQAXFACSVMHP-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000162879530 350451914 /nfs/dbraw/zinc/45/19/14/350451914.db2.gz WLLQAXFACSVMHP-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccn1 ZINC000391136467 350468977 /nfs/dbraw/zinc/46/89/77/350468977.db2.gz IVCUZMVXQCFDNN-CYBMUJFWSA-N 2 1 233.359 1.868 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2COCC2(C)C)CC1(C)C ZINC000623541681 362960103 /nfs/dbraw/zinc/96/01/03/362960103.db2.gz TWFZMRDYPGWJTN-NEPJUHHUSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)CC1(C)C ZINC000623551635 362972885 /nfs/dbraw/zinc/97/28/85/362972885.db2.gz ACLIYBMUZMAENM-GMXVVIOVSA-N 2 1 226.364 1.362 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC)C1 ZINC000564794064 350662002 /nfs/dbraw/zinc/66/20/02/350662002.db2.gz SUTUYSQNYLUBNV-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@@H](C)[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000308881277 490689841 /nfs/dbraw/zinc/68/98/41/490689841.db2.gz VPNOZTALGATVJG-NEPJUHHUSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000308881277 490689849 /nfs/dbraw/zinc/68/98/49/490689849.db2.gz VPNOZTALGATVJG-NEPJUHHUSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000308881277 490689854 /nfs/dbraw/zinc/68/98/54/490689854.db2.gz VPNOZTALGATVJG-NEPJUHHUSA-N 2 1 216.369 1.419 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000308881277 490689861 /nfs/dbraw/zinc/68/98/61/490689861.db2.gz VPNOZTALGATVJG-NEPJUHHUSA-N 2 1 216.369 1.419 20 0 BDADMP Cc1ncc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000628308900 350784535 /nfs/dbraw/zinc/78/45/35/350784535.db2.gz PNUQCJBILNWQHZ-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CCF)CC1(C)C ZINC000623560503 362985272 /nfs/dbraw/zinc/98/52/72/362985272.db2.gz IFWFECYIKLEJBE-WDEREUQCSA-N 2 1 232.343 1.169 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cncs1 ZINC000159652390 350962637 /nfs/dbraw/zinc/96/26/37/350962637.db2.gz WPEJKDAIVLXNFF-RKDXNWHRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cncs1 ZINC000159652390 350962640 /nfs/dbraw/zinc/96/26/40/350962640.db2.gz WPEJKDAIVLXNFF-RKDXNWHRSA-N 2 1 211.334 1.312 20 0 BDADMP CC[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000263813464 351190212 /nfs/dbraw/zinc/19/02/12/351190212.db2.gz VCZMGVMVIGAOHM-UHFFFAOYSA-N 2 1 245.330 1.854 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)C[C@@H]1C)C1CC1 ZINC000155850571 351544837 /nfs/dbraw/zinc/54/48/37/351544837.db2.gz LGBUDZLQQIVVFD-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000155850571 351544841 /nfs/dbraw/zinc/54/48/41/351544841.db2.gz LGBUDZLQQIVVFD-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000155850571 351544847 /nfs/dbraw/zinc/54/48/47/351544847.db2.gz LGBUDZLQQIVVFD-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000404897707 363071524 /nfs/dbraw/zinc/07/15/24/363071524.db2.gz HMPINXKTNGHOOV-UKRRQHHQSA-N 2 1 247.386 1.862 20 0 BDADMP CCC(CC)(CO)C[NH2+]C1CC[NH+](C)CC1 ZINC000088175718 351680204 /nfs/dbraw/zinc/68/02/04/351680204.db2.gz XIOPRRYOZUFQHZ-UHFFFAOYSA-N 2 1 228.380 1.469 20 0 BDADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+]C1CCOCC1 ZINC000036996402 358466005 /nfs/dbraw/zinc/46/60/05/358466005.db2.gz QROGKKHSCDFCSX-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+]C1CCOCC1 ZINC000036996402 358466007 /nfs/dbraw/zinc/46/60/07/358466007.db2.gz QROGKKHSCDFCSX-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccoc1 ZINC000177988684 366075017 /nfs/dbraw/zinc/07/50/17/366075017.db2.gz SJTKTYZMSHJLBR-GFCCVEGCSA-N 2 1 240.347 1.899 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccoc1 ZINC000177988684 366075021 /nfs/dbraw/zinc/07/50/21/366075021.db2.gz SJTKTYZMSHJLBR-GFCCVEGCSA-N 2 1 240.347 1.899 20 0 BDADMP CCc1nc(NC[C@](C)([NH3+])COC)cc(C)[nH+]1 ZINC000287432349 352126479 /nfs/dbraw/zinc/12/64/79/352126479.db2.gz USKQVXJASRTZGN-LBPRGKRZSA-N 2 1 238.335 1.123 20 0 BDADMP CCCn1nccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392266828 487535727 /nfs/dbraw/zinc/53/57/27/487535727.db2.gz HYTRJDNFEDPTBE-UHFFFAOYSA-N 2 1 248.374 1.645 20 0 BDADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000638243445 352090852 /nfs/dbraw/zinc/09/08/52/352090852.db2.gz PITLXUABAIVWHW-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]CCC[C@H]1CCO1 ZINC000638337985 352157944 /nfs/dbraw/zinc/15/79/44/352157944.db2.gz OJTUZCSFQANPOE-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000638380596 352191026 /nfs/dbraw/zinc/19/10/26/352191026.db2.gz CUGWDZKMEDRHHV-STQMWFEESA-N 2 1 248.374 1.339 20 0 BDADMP CC[C@@](C)(C[NH2+]CCCn1cc[nH+]c1C)OC ZINC000638385270 352195707 /nfs/dbraw/zinc/19/57/07/352195707.db2.gz GFVPCYLIHYTJTA-ZDUSSCGKSA-N 2 1 239.363 1.986 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638452234 352261959 /nfs/dbraw/zinc/26/19/59/352261959.db2.gz VVVOSTJXQLJWAY-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414949093 352370357 /nfs/dbraw/zinc/37/03/57/352370357.db2.gz ZOJVTBVCZJKYNS-QNWHQSFQSA-N 3 1 225.380 1.105 20 0 BDADMP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1F ZINC000415011570 352546871 /nfs/dbraw/zinc/54/68/71/352546871.db2.gz QSTIOKFLYWBPCL-ZJUUUORDSA-N 2 1 210.296 1.959 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000336784904 187742850 /nfs/dbraw/zinc/74/28/50/187742850.db2.gz ADMFGSCTYPHCQX-UPJWGTAASA-N 2 1 249.358 1.595 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@H]1CCCCO1 ZINC000300367534 352560742 /nfs/dbraw/zinc/56/07/42/352560742.db2.gz LETKIBXSAXCIML-JHJVBQTASA-N 2 1 226.364 1.757 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000300369264 352560839 /nfs/dbraw/zinc/56/08/39/352560839.db2.gz WKRKIFXPUPCWMC-NWDGAFQWSA-N 2 1 225.380 1.330 20 0 BDADMP CCN(CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000300369264 352560844 /nfs/dbraw/zinc/56/08/44/352560844.db2.gz WKRKIFXPUPCWMC-NWDGAFQWSA-N 2 1 225.380 1.330 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]CCC[C@H]1CCO1 ZINC000638719145 352564912 /nfs/dbraw/zinc/56/49/12/352564912.db2.gz BRJZNCDMLKQBKE-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]CCC[C@H]1CCO1 ZINC000638719145 352564913 /nfs/dbraw/zinc/56/49/13/352564913.db2.gz BRJZNCDMLKQBKE-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP C[C@@H]1C[C@H](N2CC([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000307556030 352648250 /nfs/dbraw/zinc/64/82/50/352648250.db2.gz YQIAMNNJLARDCH-DOMZBBRYSA-N 2 1 245.370 1.292 20 0 BDADMP C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)C1CC[NH2+]CC1 ZINC000043425692 352637220 /nfs/dbraw/zinc/63/72/20/352637220.db2.gz RDXMTKJGSMBUBN-KBPBESRZSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCCC1 ZINC000043402026 352637654 /nfs/dbraw/zinc/63/76/54/352637654.db2.gz SGTMBDCJUZNAFT-UHFFFAOYSA-N 2 1 238.335 1.638 20 0 BDADMP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCCC1 ZINC000043402026 352637657 /nfs/dbraw/zinc/63/76/57/352637657.db2.gz SGTMBDCJUZNAFT-UHFFFAOYSA-N 2 1 238.335 1.638 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CSC2)CC[N@@H+]1C ZINC000307677795 352755256 /nfs/dbraw/zinc/75/52/56/352755256.db2.gz MLDNZPWJOGVGTH-DTWKUNHWSA-N 2 1 200.351 1.174 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CSC2)CC[N@H+]1C ZINC000307677795 352755257 /nfs/dbraw/zinc/75/52/57/352755257.db2.gz MLDNZPWJOGVGTH-DTWKUNHWSA-N 2 1 200.351 1.174 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCn3cccn3)C2)C1 ZINC000334216916 352816717 /nfs/dbraw/zinc/81/67/17/352816717.db2.gz GPRKWYUIOUKXCZ-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCn3cccn3)C2)C1 ZINC000334216916 352816722 /nfs/dbraw/zinc/81/67/22/352816722.db2.gz GPRKWYUIOUKXCZ-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCn3cccn3)C2)C1 ZINC000334216916 352816727 /nfs/dbraw/zinc/81/67/27/352816727.db2.gz GPRKWYUIOUKXCZ-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000334235403 352852510 /nfs/dbraw/zinc/85/25/10/352852510.db2.gz HAPWMTWYMUHVIK-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCCO3)C2)C1 ZINC000334235403 352852514 /nfs/dbraw/zinc/85/25/14/352852514.db2.gz HAPWMTWYMUHVIK-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000334235815 352853340 /nfs/dbraw/zinc/85/33/40/352853340.db2.gz HLTFWDJYVSKACO-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CCc1nocc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000334270669 352907248 /nfs/dbraw/zinc/90/72/48/352907248.db2.gz SSHZPLDKQKIKJG-AWEZNQCLSA-N 2 1 249.358 1.765 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]CC2CCSCC2)CC1 ZINC000638839041 353022968 /nfs/dbraw/zinc/02/29/68/353022968.db2.gz VKJYZMUDEJGBBE-UHFFFAOYSA-N 2 1 240.416 1.981 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820460 353000575 /nfs/dbraw/zinc/00/05/75/353000575.db2.gz WNYWFPIUYJHBSC-GFCCVEGCSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]1CC[N@H+](CC[NH2+]CCC2CCOCC2)C1 ZINC000638871997 353043108 /nfs/dbraw/zinc/04/31/08/353043108.db2.gz PIRWCYCWFLXOCZ-CYBMUJFWSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[NH2+]CCC2CCOCC2)C1 ZINC000638871997 353043110 /nfs/dbraw/zinc/04/31/10/353043110.db2.gz PIRWCYCWFLXOCZ-CYBMUJFWSA-N 2 1 240.391 1.735 20 0 BDADMP CCC[C@H](C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21)OC ZINC000638919095 353083946 /nfs/dbraw/zinc/08/39/46/353083946.db2.gz YEAALIZTHFZKCQ-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000159749987 538111480 /nfs/dbraw/zinc/11/14/80/538111480.db2.gz NSOZGRRKODKTFW-STQMWFEESA-N 2 1 217.316 1.041 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261930152 535210460 /nfs/dbraw/zinc/21/04/60/535210460.db2.gz CRLZKNNIDQRWKA-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP Cn1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000252894386 353313157 /nfs/dbraw/zinc/31/31/57/353313157.db2.gz VMBUOZAZTIEESU-AAEUAGOBSA-N 2 1 234.347 1.137 20 0 BDADMP CC(C)C1(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000639048821 353342781 /nfs/dbraw/zinc/34/27/81/353342781.db2.gz AETSKJABNIBBHB-ZDUSSCGKSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)C1(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000639048821 353342783 /nfs/dbraw/zinc/34/27/83/353342783.db2.gz AETSKJABNIBBHB-ZDUSSCGKSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000165595804 353394036 /nfs/dbraw/zinc/39/40/36/353394036.db2.gz DLNOHWQLVPKSQA-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000165595804 353394038 /nfs/dbraw/zinc/39/40/38/353394038.db2.gz DLNOHWQLVPKSQA-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000398948538 353368806 /nfs/dbraw/zinc/36/88/06/353368806.db2.gz CLBZDZPYNVGOIS-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000358294163 188423327 /nfs/dbraw/zinc/42/33/27/188423327.db2.gz JCEBHACSALCCAP-STQMWFEESA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@@H](C)[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)OC ZINC000639113870 353714872 /nfs/dbraw/zinc/71/48/72/353714872.db2.gz YIQBPGBHWYZLFW-YIYPIFLZSA-N 2 1 240.391 1.541 20 0 BDADMP CC[C@@H](C)[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)OC ZINC000639113870 353714876 /nfs/dbraw/zinc/71/48/76/353714876.db2.gz YIQBPGBHWYZLFW-YIYPIFLZSA-N 2 1 240.391 1.541 20 0 BDADMP CC[C@@H](C)[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)OC ZINC000639113870 353714880 /nfs/dbraw/zinc/71/48/80/353714880.db2.gz YIQBPGBHWYZLFW-YIYPIFLZSA-N 2 1 240.391 1.541 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000232660483 353752526 /nfs/dbraw/zinc/75/25/26/353752526.db2.gz WZMQNRNJXHMYAY-ZDUSSCGKSA-N 2 1 228.380 1.720 20 0 BDADMP CCCn1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000220337014 353829089 /nfs/dbraw/zinc/82/90/89/353829089.db2.gz JMRNMAOCXWYVQS-NWDGAFQWSA-N 2 1 236.363 1.462 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](OC)C1CC1 ZINC000639165683 353995804 /nfs/dbraw/zinc/99/58/04/353995804.db2.gz PVFSKPQWWXLTQP-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](OC)C1CC1 ZINC000639165683 353995808 /nfs/dbraw/zinc/99/58/08/353995808.db2.gz PVFSKPQWWXLTQP-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000334558975 354007645 /nfs/dbraw/zinc/00/76/45/354007645.db2.gz JEQWWQCAKJKXLU-PWSUYJOCSA-N 2 1 244.342 1.732 20 0 BDADMP CC[C@H](C)[C@H](C[N@@H+](C)CCC[NH+](C)C)OC ZINC000639168409 354073765 /nfs/dbraw/zinc/07/37/65/354073765.db2.gz STJMKBLOYIRODA-STQMWFEESA-N 2 1 230.396 1.931 20 0 BDADMP CO[C@@H](C[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000639167187 354048604 /nfs/dbraw/zinc/04/86/04/354048604.db2.gz BGOQQDODLOZZFB-LBPRGKRZSA-N 2 1 214.353 1.295 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](C)CC1 ZINC000344037215 354102395 /nfs/dbraw/zinc/10/23/95/354102395.db2.gz ILGZABSTGYCWBK-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP CCN1C[C@@H](C)[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000344304470 354215337 /nfs/dbraw/zinc/21/53/37/354215337.db2.gz UKIMGRNKFYCXTD-TZMCWYRMSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC[C@@H]1CCO1 ZINC000639178393 354253697 /nfs/dbraw/zinc/25/36/97/354253697.db2.gz KZZWDESUHUZKLB-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC[C@@H]1CCO1 ZINC000639178393 354253698 /nfs/dbraw/zinc/25/36/98/354253698.db2.gz KZZWDESUHUZKLB-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC[C@@H]1CCO1 ZINC000639178393 354253699 /nfs/dbraw/zinc/25/36/99/354253699.db2.gz KZZWDESUHUZKLB-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC[C@@H]1CCO1 ZINC000639178393 354253700 /nfs/dbraw/zinc/25/37/00/354253700.db2.gz KZZWDESUHUZKLB-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000639178520 354255484 /nfs/dbraw/zinc/25/54/84/354255484.db2.gz LKQNHPOSUYQQDM-KWCYVHTRSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000639178520 354255485 /nfs/dbraw/zinc/25/54/85/354255485.db2.gz LKQNHPOSUYQQDM-KWCYVHTRSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000639178520 354255486 /nfs/dbraw/zinc/25/54/86/354255486.db2.gz LKQNHPOSUYQQDM-KWCYVHTRSA-N 2 1 240.391 1.683 20 0 BDADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000639178520 354255490 /nfs/dbraw/zinc/25/54/90/354255490.db2.gz LKQNHPOSUYQQDM-KWCYVHTRSA-N 2 1 240.391 1.683 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334649753 354441629 /nfs/dbraw/zinc/44/16/29/354441629.db2.gz VWFJYZUBXOJCRA-CQSZACIVSA-N 2 1 231.343 1.454 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000335168628 354930493 /nfs/dbraw/zinc/93/04/93/354930493.db2.gz GJKQMTONEQTWQA-OCCSQVGLSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000335168628 354930497 /nfs/dbraw/zinc/93/04/97/354930497.db2.gz GJKQMTONEQTWQA-OCCSQVGLSA-N 2 1 238.375 1.365 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1OCO2 ZINC000346688327 355013840 /nfs/dbraw/zinc/01/38/40/355013840.db2.gz XUQGCDBGGRGBNL-GHMZBOCLSA-N 2 1 248.326 1.584 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000335182182 355079796 /nfs/dbraw/zinc/07/97/96/355079796.db2.gz ZUCQPQAKGNXYCN-NWDGAFQWSA-N 2 1 205.305 1.359 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000346848395 355136393 /nfs/dbraw/zinc/13/63/93/355136393.db2.gz QJWCSYPXYYMGSP-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000346848395 355136395 /nfs/dbraw/zinc/13/63/95/355136395.db2.gz QJWCSYPXYYMGSP-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000346848399 355136731 /nfs/dbraw/zinc/13/67/31/355136731.db2.gz QJWCSYPXYYMGSP-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000346848399 355136734 /nfs/dbraw/zinc/13/67/34/355136734.db2.gz QJWCSYPXYYMGSP-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)[C@@H](C)C1 ZINC000346881652 355144131 /nfs/dbraw/zinc/14/41/31/355144131.db2.gz OGTXWCAGLCZEGA-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971041 355207627 /nfs/dbraw/zinc/20/76/27/355207627.db2.gz GUNLGCTXJYUUOD-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CC[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000412975581 191346708 /nfs/dbraw/zinc/34/67/08/191346708.db2.gz FYNJLTRXOKFZAH-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000412975581 191346711 /nfs/dbraw/zinc/34/67/11/191346711.db2.gz FYNJLTRXOKFZAH-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000191202098 355345684 /nfs/dbraw/zinc/34/56/84/355345684.db2.gz IRLYORJWSNWTBA-WAAKLRNESA-N 2 1 212.337 1.236 20 0 BDADMP CC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694313 358497565 /nfs/dbraw/zinc/49/75/65/358497565.db2.gz CNESJRPIVWWGGO-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[C@@H](N2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000639343185 355785646 /nfs/dbraw/zinc/78/56/46/355785646.db2.gz GUQODPHTULXIEY-PWSUYJOCSA-N 2 1 234.347 1.251 20 0 BDADMP C[C@H]1C[C@H](N2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000639343183 355785698 /nfs/dbraw/zinc/78/56/98/355785698.db2.gz GUQODPHTULXIEY-CMPLNLGQSA-N 2 1 234.347 1.251 20 0 BDADMP Cc1cnn(CC2CC[NH+](C[C@H](C)[NH3+])CC2)c1 ZINC000442664666 191904273 /nfs/dbraw/zinc/90/42/73/191904273.db2.gz XATLWTUWXGYYGN-LBPRGKRZSA-N 2 1 236.363 1.251 20 0 BDADMP COC[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351227591 355964060 /nfs/dbraw/zinc/96/40/60/355964060.db2.gz OJUKDUVYSQSHTD-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351227591 355964062 /nfs/dbraw/zinc/96/40/62/355964062.db2.gz OJUKDUVYSQSHTD-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351227591 355964064 /nfs/dbraw/zinc/96/40/64/355964064.db2.gz OJUKDUVYSQSHTD-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3=CCCOC3)C2)C1 ZINC000336113311 134087368 /nfs/dbraw/zinc/08/73/68/134087368.db2.gz ZZUXPKYXEAEZLS-CQSZACIVSA-N 2 1 236.359 1.361 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000420318559 192195087 /nfs/dbraw/zinc/19/50/87/192195087.db2.gz QHHHXJYWMQORIA-CABCVRRESA-N 2 1 245.370 1.698 20 0 BDADMP CC(C)[N@@H+](CCN1CC[NH2+]CC1)C1CCC1 ZINC000420299227 192204653 /nfs/dbraw/zinc/20/46/53/192204653.db2.gz IKPJATKHRNQZJE-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1CN ZINC000420296600 192204781 /nfs/dbraw/zinc/20/47/81/192204781.db2.gz XFZZBKVIPZHARS-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000420296600 192204783 /nfs/dbraw/zinc/20/47/83/192204783.db2.gz XFZZBKVIPZHARS-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000420295683 192205722 /nfs/dbraw/zinc/20/57/22/192205722.db2.gz VXUCFZBIAUSHAL-MCIONIFRSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000420295683 192205724 /nfs/dbraw/zinc/20/57/24/192205724.db2.gz VXUCFZBIAUSHAL-MCIONIFRSA-N 3 1 237.391 1.202 20 0 BDADMP CC[N@@H+](CCN1CC[NH2+]CC1)[C@H](C)C(C)C ZINC000420303902 192206523 /nfs/dbraw/zinc/20/65/23/192206523.db2.gz NXFIURGXSXWUGV-CYBMUJFWSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420319554 192195976 /nfs/dbraw/zinc/19/59/76/192195976.db2.gz XSBBALNHAVTFQR-AWEZNQCLSA-N 3 1 241.423 1.779 20 0 BDADMP CC(C)c1cc(N(C)CC[NH3+])nc(N(C)C)[nH+]1 ZINC000420280414 192198277 /nfs/dbraw/zinc/19/82/77/192198277.db2.gz KYWVFVWDQJYDFX-UHFFFAOYSA-N 2 1 237.351 1.061 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)OC(C)C)C1 ZINC000420279889 192198300 /nfs/dbraw/zinc/19/83/00/192198300.db2.gz XQIOXVDVUSXWPD-GFCCVEGCSA-N 2 1 242.363 1.260 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000420279889 192198303 /nfs/dbraw/zinc/19/83/03/192198303.db2.gz XQIOXVDVUSXWPD-GFCCVEGCSA-N 2 1 242.363 1.260 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000420302711 192206750 /nfs/dbraw/zinc/20/67/50/192206750.db2.gz BVRJOYYUDDIPPR-UONOGXRCSA-N 3 1 239.407 1.450 20 0 BDADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420333994 192214943 /nfs/dbraw/zinc/21/49/43/192214943.db2.gz KPXZOYTUOZERCI-RYUDHWBXSA-N 2 1 240.347 1.012 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420333994 192214945 /nfs/dbraw/zinc/21/49/45/192214945.db2.gz KPXZOYTUOZERCI-RYUDHWBXSA-N 2 1 240.347 1.012 20 0 BDADMP CCOC(=O)CCCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420342913 192215576 /nfs/dbraw/zinc/21/55/76/192215576.db2.gz VZLPARJPAAOVSL-UHFFFAOYSA-N 2 1 228.336 1.141 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000420339707 192216006 /nfs/dbraw/zinc/21/60/06/192216006.db2.gz OVQAGXZEZBDVRJ-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000420339707 192216008 /nfs/dbraw/zinc/21/60/08/192216008.db2.gz OVQAGXZEZBDVRJ-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000420353975 192218258 /nfs/dbraw/zinc/21/82/58/192218258.db2.gz NQFFEJVXKVXSLQ-UPJWGTAASA-N 2 1 228.380 1.454 20 0 BDADMP CSc1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349253 192218276 /nfs/dbraw/zinc/21/82/76/192218276.db2.gz CGNOXWAILRWIJQ-NSHDSACASA-N 2 1 240.372 1.160 20 0 BDADMP CSc1ccccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349253 192218278 /nfs/dbraw/zinc/21/82/78/192218278.db2.gz CGNOXWAILRWIJQ-NSHDSACASA-N 2 1 240.372 1.160 20 0 BDADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)C[C@H](O)C[NH3+])C1 ZINC000420353673 192218286 /nfs/dbraw/zinc/21/82/86/192218286.db2.gz NQFFEJVXKVXSLQ-FRRDWIJNSA-N 2 1 228.380 1.454 20 0 BDADMP CC[N@@H+](CCCF)[C@H]1CCC[NH2+]CC1 ZINC000420306438 192208929 /nfs/dbraw/zinc/20/89/29/192208929.db2.gz HLMOXKJSMCBRJP-NSHDSACASA-N 2 1 202.317 1.810 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307694 192208989 /nfs/dbraw/zinc/20/89/89/192208989.db2.gz CBFNVCBNTWJDBU-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@]1(CN)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307694 192208990 /nfs/dbraw/zinc/20/89/90/192208990.db2.gz CBFNVCBNTWJDBU-QWHCGFSZSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@]1(CN)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307694 192208993 /nfs/dbraw/zinc/20/89/93/192208993.db2.gz CBFNVCBNTWJDBU-QWHCGFSZSA-N 2 1 225.380 1.047 20 0 BDADMP COC1CCC([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420308050 192210879 /nfs/dbraw/zinc/21/08/79/192210879.db2.gz RXHVECDPGWGGSS-HSBZDZAISA-N 2 1 240.391 1.875 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420312808 192211003 /nfs/dbraw/zinc/21/10/03/192211003.db2.gz XITUOUAFCMQOMR-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP COC(=O)CC1(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000420310193 192211465 /nfs/dbraw/zinc/21/14/65/192211465.db2.gz FWDCHYVYRAHCRT-LBPRGKRZSA-N 2 1 240.347 1.000 20 0 BDADMP COC(=O)CC1(C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000420310193 192211467 /nfs/dbraw/zinc/21/14/67/192211467.db2.gz FWDCHYVYRAHCRT-LBPRGKRZSA-N 2 1 240.347 1.000 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420311128 192211699 /nfs/dbraw/zinc/21/16/99/192211699.db2.gz GVJLWCMFDISWLQ-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP C[N@@H+](CCOc1cccc(F)c1)C1CC([NH3+])C1 ZINC000420329059 192230167 /nfs/dbraw/zinc/23/01/67/192230167.db2.gz IWQAHXKCBCRLPX-UHFFFAOYSA-N 2 1 238.306 1.626 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC[C@@H]1CCCCO1 ZINC000420372481 192230424 /nfs/dbraw/zinc/23/04/24/192230424.db2.gz XYLULKYVNJPZLU-NWDGAFQWSA-N 2 1 228.380 1.909 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000420361942 192222323 /nfs/dbraw/zinc/22/23/23/192222323.db2.gz NUIBOEOJEKSUHU-GFCCVEGCSA-N 2 1 233.359 1.683 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOCC(F)F ZINC000420359152 192222617 /nfs/dbraw/zinc/22/26/17/192222617.db2.gz GBJGKCPPOALLGG-KKZNHRDASA-N 2 1 236.306 1.244 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1cccnc1 ZINC000420360893 192223014 /nfs/dbraw/zinc/22/30/14/192223014.db2.gz HOSALTRQDPIWKT-BZPMIXESSA-N 2 1 233.359 1.600 20 0 BDADMP C[C@H](C[N@@H+](C)CCOCC[NH3+])c1nccs1 ZINC000420365119 192224368 /nfs/dbraw/zinc/22/43/68/192224368.db2.gz RUPQLHCNIGTMNX-SNVBAGLBSA-N 2 1 243.376 1.154 20 0 BDADMP COC(=O)CCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420367147 192225270 /nfs/dbraw/zinc/22/52/70/192225270.db2.gz MPGYKUVSOGFJCW-GFCCVEGCSA-N 2 1 242.363 1.437 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@@H](C)N)C1 ZINC000420368300 192225521 /nfs/dbraw/zinc/22/55/21/192225521.db2.gz HZRANFRFSVIBJV-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC000420388874 192234630 /nfs/dbraw/zinc/23/46/30/192234630.db2.gz XEZNCCRJFJFVPH-CQSZACIVSA-N 2 1 238.375 1.489 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420384462 192235492 /nfs/dbraw/zinc/23/54/92/192235492.db2.gz DVNNHRKKXKFPDO-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000420387050 192235864 /nfs/dbraw/zinc/23/58/64/192235864.db2.gz GGIHWRJLAWNBPY-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000420387050 192235866 /nfs/dbraw/zinc/23/58/66/192235866.db2.gz GGIHWRJLAWNBPY-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CCC[C@H](CNCc2n[nH]cc2C)C1 ZINC000352805999 356416410 /nfs/dbraw/zinc/41/64/10/356416410.db2.gz YZLWRZCXAUCOMB-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP CC[N@@H+]1CCC[C@H](CNCc2[nH]ncc2C)C1 ZINC000352805999 356416414 /nfs/dbraw/zinc/41/64/14/356416414.db2.gz YZLWRZCXAUCOMB-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP CC[N@H+]1CCC[C@H](CNCc2[nH]ncc2C)C1 ZINC000352805999 356416416 /nfs/dbraw/zinc/41/64/16/356416416.db2.gz YZLWRZCXAUCOMB-GFCCVEGCSA-N 2 1 236.363 1.540 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420394433 192237400 /nfs/dbraw/zinc/23/74/00/192237400.db2.gz KOMCDNUYDVKKQO-NWDGAFQWSA-N 2 1 236.363 1.264 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420403820 192237813 /nfs/dbraw/zinc/23/78/13/192237813.db2.gz RTPUXROBIJWNCF-IHRRRGAJSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+]CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000420401743 192237898 /nfs/dbraw/zinc/23/78/98/192237898.db2.gz JGZFGGGTUWXWDA-CQSZACIVSA-N 2 1 248.326 1.457 20 0 BDADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC[NH3+] ZINC000420404953 192237986 /nfs/dbraw/zinc/23/79/86/192237986.db2.gz MMNUCOFQZSRLSS-MNOVXSKESA-N 2 1 200.326 1.128 20 0 BDADMP C[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000420412518 192241225 /nfs/dbraw/zinc/24/12/25/192241225.db2.gz SGYNQWJREWEEJN-UBHSHLNASA-N 2 1 233.359 1.369 20 0 BDADMP COc1cccc(CCC[N@H+](C)CC[NH3+])c1 ZINC000420376966 192231153 /nfs/dbraw/zinc/23/11/53/192231153.db2.gz KJNTVHQXXDERLA-UHFFFAOYSA-N 2 1 222.332 1.518 20 0 BDADMP COc1cccc(CCC[N@@H+](C)CC[NH3+])c1 ZINC000420376966 192231155 /nfs/dbraw/zinc/23/11/55/192231155.db2.gz KJNTVHQXXDERLA-UHFFFAOYSA-N 2 1 222.332 1.518 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCc1ccncc1 ZINC000420380636 192233194 /nfs/dbraw/zinc/23/31/94/192233194.db2.gz YLMPGTJOIVLUHJ-UMVBOHGHSA-N 2 1 247.386 1.990 20 0 BDADMP CCSCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420377415 192233388 /nfs/dbraw/zinc/23/33/88/192233388.db2.gz WHCSBMZKVTZIMM-GARJFASQSA-N 2 1 216.394 1.716 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCc1ccncc1 ZINC000420380634 192233427 /nfs/dbraw/zinc/23/34/27/192233427.db2.gz YLMPGTJOIVLUHJ-NFAWXSAZSA-N 2 1 247.386 1.990 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC1CCOCC1 ZINC000420377757 192233977 /nfs/dbraw/zinc/23/39/77/192233977.db2.gz WNEOCBVAWNTARN-NTZNESFSSA-N 2 1 226.364 1.389 20 0 BDADMP CC[N@H+]1CC[C@@H](Nc2cc(C)nc(C(C)C)n2)C1 ZINC000389399856 356491338 /nfs/dbraw/zinc/49/13/38/356491338.db2.gz PKAPAUPPPUUVFJ-GFCCVEGCSA-N 2 1 248.374 1.836 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639612814 356537235 /nfs/dbraw/zinc/53/72/35/356537235.db2.gz NNBDIXPDVAXQTP-CYBMUJFWSA-N 2 1 249.358 1.703 20 0 BDADMP CN(CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCC[NH+]1C ZINC000420993786 192291591 /nfs/dbraw/zinc/29/15/91/192291591.db2.gz BDCJBOCCZPGWDC-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@H]1CCC[NH+]1C)C[C@@H]1CCC[N@@H+]1C ZINC000420993786 192291593 /nfs/dbraw/zinc/29/15/93/192291593.db2.gz BDCJBOCCZPGWDC-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@H]1CCC[NH+]1C)C[C@@H]1CCC[N@H+]1C ZINC000420993786 192291595 /nfs/dbraw/zinc/29/15/95/192291595.db2.gz BDCJBOCCZPGWDC-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H]1n1ccnc1 ZINC000336197868 134127685 /nfs/dbraw/zinc/12/76/85/134127685.db2.gz HXNWQDKSXZGDNV-VXGBXAGGSA-N 2 1 236.363 1.503 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H]1n1ccnc1 ZINC000336197868 134127686 /nfs/dbraw/zinc/12/76/86/134127686.db2.gz HXNWQDKSXZGDNV-VXGBXAGGSA-N 2 1 236.363 1.503 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000421020961 192306565 /nfs/dbraw/zinc/30/65/65/192306565.db2.gz NTVMWDWRGOHVIW-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000421020961 192306567 /nfs/dbraw/zinc/30/65/67/192306567.db2.gz NTVMWDWRGOHVIW-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000421020961 192306570 /nfs/dbraw/zinc/30/65/70/192306570.db2.gz NTVMWDWRGOHVIW-FRRDWIJNSA-N 2 1 226.364 1.316 20 0 BDADMP COC[C@]1(C)CC[N@@H+](CCc2cncn2C)C1 ZINC000639659404 356568040 /nfs/dbraw/zinc/56/80/40/356568040.db2.gz LKANPLBTFVTVOR-CYBMUJFWSA-N 2 1 237.347 1.321 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682641 356592785 /nfs/dbraw/zinc/59/27/85/356592785.db2.gz GNUBABXMHGSCHV-CYBMUJFWSA-N 2 1 249.358 1.629 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422979079 192514063 /nfs/dbraw/zinc/51/40/63/192514063.db2.gz LFFOJALJTORRPE-IHRRRGAJSA-N 2 1 242.407 1.904 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H](CCO)c1ccco1 ZINC000423051809 192553101 /nfs/dbraw/zinc/55/31/01/192553101.db2.gz PELCAMDGPNCKRH-TUAOUCFPSA-N 2 1 238.331 1.420 20 0 BDADMP COCCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754716 356657200 /nfs/dbraw/zinc/65/72/00/356657200.db2.gz DTRUXBUVYHEUAD-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP CCOCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759026 356670014 /nfs/dbraw/zinc/67/00/14/356670014.db2.gz ZSXOFJQBKBJHSS-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758921 356670170 /nfs/dbraw/zinc/67/01/70/356670170.db2.gz XXNRXHAWQRVKHL-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764803 356692542 /nfs/dbraw/zinc/69/25/42/356692542.db2.gz XJCDYUCDIFASMZ-CQSZACIVSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C2CCCC2)C1 ZINC000639765963 356696570 /nfs/dbraw/zinc/69/65/70/356696570.db2.gz KWLLUZODFLZRDK-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C2CCCC2)C1 ZINC000639765963 356696571 /nfs/dbraw/zinc/69/65/71/356696571.db2.gz KWLLUZODFLZRDK-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCC2)CC1(C)C ZINC000623339883 356737808 /nfs/dbraw/zinc/73/78/08/356737808.db2.gz NZDCERUBLJSSJQ-CYBMUJFWSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C2CCOCC2)CC1(C)C ZINC000623363517 356813218 /nfs/dbraw/zinc/81/32/18/356813218.db2.gz ZMOJVRLSYJXPLC-GFCCVEGCSA-N 2 1 226.364 1.628 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623372903 356882462 /nfs/dbraw/zinc/88/24/62/356882462.db2.gz KZNKHWNPPRBWJW-GFCCVEGCSA-N 2 1 236.363 1.383 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623372903 356882469 /nfs/dbraw/zinc/88/24/69/356882469.db2.gz KZNKHWNPPRBWJW-GFCCVEGCSA-N 2 1 236.363 1.383 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000450552115 202197806 /nfs/dbraw/zinc/19/78/06/202197806.db2.gz HEDQKDBTUAQHLT-ZDUSSCGKSA-N 2 1 228.380 1.610 20 0 BDADMP CC[NH+]1CCC([N@H+](CCCO)C2CC2)CC1 ZINC000361954824 356939716 /nfs/dbraw/zinc/93/97/16/356939716.db2.gz HHTVCXMTXFUKNC-UHFFFAOYSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@@H+](CCCO)C2CC2)CC1 ZINC000361954824 356939720 /nfs/dbraw/zinc/93/97/20/356939720.db2.gz HHTVCXMTXFUKNC-UHFFFAOYSA-N 2 1 226.364 1.318 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623392676 356985880 /nfs/dbraw/zinc/98/58/80/356985880.db2.gz MBSGZIKGXHNCSV-RYUDHWBXSA-N 2 1 228.380 1.874 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000020205753 357001292 /nfs/dbraw/zinc/00/12/92/357001292.db2.gz LCHIJWOPJBHYNM-AAEUAGOBSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC000389614526 357003120 /nfs/dbraw/zinc/00/31/20/357003120.db2.gz FYIKYOYKFABFGN-XQHKEYJVSA-N 2 1 210.365 1.962 20 0 BDADMP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000390590878 357110803 /nfs/dbraw/zinc/11/08/03/357110803.db2.gz ZHNNNZHCZCVALU-OLZOCXBDSA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423269607 192662947 /nfs/dbraw/zinc/66/29/47/192662947.db2.gz VXIJHSVNEMPMBT-RWMBFGLXSA-N 2 1 227.396 1.432 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000628425899 357254102 /nfs/dbraw/zinc/25/41/02/357254102.db2.gz YUJPEQMTQKBTEY-OLZOCXBDSA-N 2 1 228.380 1.590 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408021 357403789 /nfs/dbraw/zinc/40/37/89/357403789.db2.gz DWDCMWMRTZJEHA-DGCLKSJQSA-N 2 1 228.380 1.610 20 0 BDADMP C[N@H+]1CC[C@H](NCc2cc[nH]n2)CC1(C)C ZINC000623408111 357404712 /nfs/dbraw/zinc/40/47/12/357404712.db2.gz JFMIQSGIHPDZME-JTQLQIEISA-N 2 1 222.336 1.372 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000230891850 357576720 /nfs/dbraw/zinc/57/67/20/357576720.db2.gz ZOBBQSOGYPAUPD-LBPRGKRZSA-N 2 1 239.363 1.578 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)O)CC1(C)C ZINC000623412364 357585589 /nfs/dbraw/zinc/58/55/89/357585589.db2.gz GAWRDSODIBQJHP-JTQLQIEISA-N 2 1 214.353 1.220 20 0 BDADMP C[C@H](NCc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC000583263199 357739165 /nfs/dbraw/zinc/73/91/65/357739165.db2.gz OGMCMQMMJZGUKN-WFASDCNBSA-N 2 1 247.386 1.623 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)CC1(C)C ZINC000623415535 357763971 /nfs/dbraw/zinc/76/39/71/357763971.db2.gz OJUQDARWLQYNLL-JSGCOSHPSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000191590395 357786671 /nfs/dbraw/zinc/78/66/71/357786671.db2.gz AVOYZGXFTOFBHX-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH2+][C@@H](C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000583271281 357788477 /nfs/dbraw/zinc/78/84/77/357788477.db2.gz ZLCNOZUXAPXJLZ-QMMMGPOBSA-N 2 1 224.308 1.468 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccnn1C ZINC000192245502 357834437 /nfs/dbraw/zinc/83/44/37/357834437.db2.gz ITSXDOJLHUHYPV-GFCCVEGCSA-N 2 1 238.379 1.803 20 0 BDADMP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000193274452 357872409 /nfs/dbraw/zinc/87/24/09/357872409.db2.gz QFBGMFRFNQMNNY-YHWZYXNKSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@]1(CO)CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000546104728 325265812 /nfs/dbraw/zinc/26/58/12/325265812.db2.gz NXBZETOBJSSQFV-CYBMUJFWSA-N 2 1 226.364 1.319 20 0 BDADMP CC(C)[C@@](C)(CO)[NH2+]CCCc1c[nH+]cn1C ZINC000398459235 357885224 /nfs/dbraw/zinc/88/52/24/357885224.db2.gz IHAZTDXHZHGBKX-CYBMUJFWSA-N 2 1 239.363 1.349 20 0 BDADMP CCn1c(C[NH2+][C@H](C)CC[NH3+])nc2ccccc21 ZINC000583859418 358012867 /nfs/dbraw/zinc/01/28/67/358012867.db2.gz UBTCYIKUHCQSQR-LLVKDONJSA-N 2 1 246.358 1.883 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCSCC2)CC[N@@H+]1C ZINC000090720977 363595017 /nfs/dbraw/zinc/59/50/17/363595017.db2.gz ZPTWLKRRDHGITJ-CMPLNLGQSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCSCC2)CC[N@H+]1C ZINC000090720977 363595018 /nfs/dbraw/zinc/59/50/18/363595018.db2.gz ZPTWLKRRDHGITJ-CMPLNLGQSA-N 2 1 228.405 1.954 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623421193 358165858 /nfs/dbraw/zinc/16/58/58/358165858.db2.gz BEEAECBAEGOJHZ-NWDGAFQWSA-N 2 1 228.380 1.466 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)n1 ZINC000228336634 358373692 /nfs/dbraw/zinc/37/36/92/358373692.db2.gz FBOFILPEWOWKMQ-GHMZBOCLSA-N 2 1 235.331 1.407 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623426387 358397496 /nfs/dbraw/zinc/39/74/96/358397496.db2.gz LYFIUDHTDPBMDX-WDEREUQCSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCOC1 ZINC000044982060 358398660 /nfs/dbraw/zinc/39/86/60/358398660.db2.gz JKKMCGOAWBBARK-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000045107845 358401624 /nfs/dbraw/zinc/40/16/24/358401624.db2.gz KXKMGNGGPUYMPE-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623428301 358445292 /nfs/dbraw/zinc/44/52/92/358445292.db2.gz FVJHOTUNGVTRIF-RYUDHWBXSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623426873 358430510 /nfs/dbraw/zinc/43/05/10/358430510.db2.gz BXVNPNOZQOHANX-NEPJUHHUSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H](C[NH3+])Nc1[nH+]c2cccc(F)c2n1C ZINC000212502555 358602394 /nfs/dbraw/zinc/60/23/94/358602394.db2.gz UWDVNJYPIARHHZ-SSDOTTSWSA-N 2 1 222.267 1.472 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)CC[N@H+]1C ZINC000129668690 358592268 /nfs/dbraw/zinc/59/22/68/358592268.db2.gz OAWUAXKSRJLLKG-NEPJUHHUSA-N 2 1 222.332 1.894 20 0 BDADMP [NH3+]Cc1noc([C@@H]2CCCCCC[C@H]2[NH3+])n1 ZINC000578236226 366464772 /nfs/dbraw/zinc/46/47/72/366464772.db2.gz DUCHZACCVCYBJX-RKDXNWHRSA-N 2 1 224.308 1.293 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000054111218 358853085 /nfs/dbraw/zinc/85/30/85/358853085.db2.gz IXZLIABVPNXCAQ-MCIONIFRSA-N 2 1 241.423 1.645 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000054111218 358853091 /nfs/dbraw/zinc/85/30/91/358853091.db2.gz IXZLIABVPNXCAQ-MCIONIFRSA-N 2 1 241.423 1.645 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000054111218 358853093 /nfs/dbraw/zinc/85/30/93/358853093.db2.gz IXZLIABVPNXCAQ-MCIONIFRSA-N 2 1 241.423 1.645 20 0 BDADMP CCc1nc(C)c([C@H](C)[NH2+]CC2C[NH2+]C2)s1 ZINC000423308391 192696476 /nfs/dbraw/zinc/69/64/76/192696476.db2.gz XRYXQPNMWQSLCX-QMMMGPOBSA-N 2 1 239.388 1.884 20 0 BDADMP C[C@H]([N@@H+](C)CCOCC[NH3+])C(C)(C)C ZINC000086435561 358976830 /nfs/dbraw/zinc/97/68/30/358976830.db2.gz LZMFFNNFWSKKFN-JTQLQIEISA-N 2 1 202.342 1.328 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCSC2)CC1(C)C ZINC000623432733 358946117 /nfs/dbraw/zinc/94/61/17/358946117.db2.gz HZPDDPQXSUUNPD-QWRGUYRKSA-N 2 1 228.405 1.954 20 0 BDADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000070013312 359038825 /nfs/dbraw/zinc/03/88/25/359038825.db2.gz YDRHQZBNZYDVND-LBPRGKRZSA-N 2 1 224.348 1.382 20 0 BDADMP C[N@@H+](CCCCCO)CC[C@H]1CCCC[NH+]1C ZINC000075860192 359229755 /nfs/dbraw/zinc/22/97/55/359229755.db2.gz KTDJOSAPPJJLEP-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP C[NH+](CCCCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000075860192 359229762 /nfs/dbraw/zinc/22/97/62/359229762.db2.gz KTDJOSAPPJJLEP-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP C[NH+](CCCCCO)CC[C@H]1CCCC[N@H+]1C ZINC000075860192 359229768 /nfs/dbraw/zinc/22/97/68/359229768.db2.gz KTDJOSAPPJJLEP-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCO1 ZINC000247338168 359213828 /nfs/dbraw/zinc/21/38/28/359213828.db2.gz FXQZOKPVTZUWGO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCO1 ZINC000247338168 359213830 /nfs/dbraw/zinc/21/38/30/359213830.db2.gz FXQZOKPVTZUWGO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000247338168 359213832 /nfs/dbraw/zinc/21/38/32/359213832.db2.gz FXQZOKPVTZUWGO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCO1 ZINC000247338168 359213835 /nfs/dbraw/zinc/21/38/35/359213835.db2.gz FXQZOKPVTZUWGO-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H](CCCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623444948 359338311 /nfs/dbraw/zinc/33/83/11/359338311.db2.gz XRBDBLGTIBIIKP-RYUDHWBXSA-N 2 1 228.380 1.610 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000578368214 366540467 /nfs/dbraw/zinc/54/04/67/366540467.db2.gz HCHKBWQLYJREFB-WOPDTQHZSA-N 2 1 228.380 1.501 20 0 BDADMP C[N@@H+](CCCn1ccnc1)CC[C@@H]1CC[NH2+]C1 ZINC000578514920 366585942 /nfs/dbraw/zinc/58/59/42/366585942.db2.gz CPMSCENXNJBPLH-ZDUSSCGKSA-N 2 1 236.363 1.205 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2)CC[N@@H+]1C ZINC000090720605 360085377 /nfs/dbraw/zinc/08/53/77/360085377.db2.gz WSRLGGGINVONTI-YPMHNXCESA-N 2 1 219.332 1.654 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2)CC[N@H+]1C ZINC000090720605 360085379 /nfs/dbraw/zinc/08/53/79/360085379.db2.gz WSRLGGGINVONTI-YPMHNXCESA-N 2 1 219.332 1.654 20 0 BDADMP OC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090799961 360088994 /nfs/dbraw/zinc/08/89/94/360088994.db2.gz YKQGSUPOBNAGAZ-CEUNDQEZSA-N 2 1 238.375 1.506 20 0 BDADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@@H+]1C ZINC000090795391 360089111 /nfs/dbraw/zinc/08/91/11/360089111.db2.gz UQESGWNYRRFFNH-WDEREUQCSA-N 2 1 249.362 1.437 20 0 BDADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N(C)C)n2)CC[N@H+]1C ZINC000090795391 360089115 /nfs/dbraw/zinc/08/91/15/360089115.db2.gz UQESGWNYRRFFNH-WDEREUQCSA-N 2 1 249.362 1.437 20 0 BDADMP CC[C@@H](C)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000093074870 360214959 /nfs/dbraw/zinc/21/49/59/360214959.db2.gz DVXYWQZCEJVORA-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP Cn1nccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089149 360216985 /nfs/dbraw/zinc/21/69/85/360216985.db2.gz VGZXYIIDESAMPA-UHFFFAOYSA-N 2 1 236.363 1.194 20 0 BDADMP CCOCC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000093312064 360227352 /nfs/dbraw/zinc/22/73/52/360227352.db2.gz RPYLCWINILFVDI-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP CCOCC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000093312064 360227358 /nfs/dbraw/zinc/22/73/58/360227358.db2.gz RPYLCWINILFVDI-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC1(C)C ZINC000631197356 360711002 /nfs/dbraw/zinc/71/10/02/360711002.db2.gz BEIXTJKOEUUDLF-UTUOFQBUSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000069908611 361013959 /nfs/dbraw/zinc/01/39/59/361013959.db2.gz SSCOMXVEGUVBQE-OUAUKWLOSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069908580 361014363 /nfs/dbraw/zinc/01/43/63/361014363.db2.gz AKASGQVVQZAYQW-PHIMTYICSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c2ccsc21 ZINC000629381761 361034225 /nfs/dbraw/zinc/03/42/25/361034225.db2.gz ZOHPMAMBARLACV-DTWKUNHWSA-N 2 1 233.340 1.881 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000629387527 361038851 /nfs/dbraw/zinc/03/88/51/361038851.db2.gz FADUVFGJIRCESI-AUZPSNTRSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410581 361060742 /nfs/dbraw/zinc/06/07/42/361060742.db2.gz HBWHGHPAIILXEY-NRWUCQMLSA-N 2 1 237.391 1.199 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629519281 361119855 /nfs/dbraw/zinc/11/98/55/361119855.db2.gz OITXLURMDLCRQV-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629512104 361105920 /nfs/dbraw/zinc/10/59/20/361105920.db2.gz ALCOHNMKHTXNPE-FQUUOJAGSA-N 2 1 249.402 1.249 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000629512304 361107554 /nfs/dbraw/zinc/10/75/54/361107554.db2.gz CRHBWPWWLQCXIE-NEPJUHHUSA-N 2 1 225.380 1.378 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccnc2N)C1 ZINC000629510434 361108386 /nfs/dbraw/zinc/10/83/86/361108386.db2.gz UEUMJKRISWOYFG-WDEREUQCSA-N 2 1 234.347 1.223 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000629510434 361108391 /nfs/dbraw/zinc/10/83/91/361108391.db2.gz UEUMJKRISWOYFG-WDEREUQCSA-N 2 1 234.347 1.223 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+])C1CC1 ZINC000629515064 361112880 /nfs/dbraw/zinc/11/28/80/361112880.db2.gz QKDRQETZUXQDMU-FPMFFAJLSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+])C1CC1 ZINC000629515064 361112884 /nfs/dbraw/zinc/11/28/84/361112884.db2.gz QKDRQETZUXQDMU-FPMFFAJLSA-N 2 1 240.391 1.861 20 0 BDADMP CCO[C@@H](C[N@@H+](C)CCC[NH3+])C1CC1 ZINC000629515425 361114391 /nfs/dbraw/zinc/11/43/91/361114391.db2.gz SHIUYQKHVAYUOW-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629527740 361134325 /nfs/dbraw/zinc/13/43/25/361134325.db2.gz DMIOGUYHPYTSIX-CMPLNLGQSA-N 2 1 234.347 1.223 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccnc2N)CC[C@H]1[NH3+] ZINC000629527740 361134327 /nfs/dbraw/zinc/13/43/27/361134327.db2.gz DMIOGUYHPYTSIX-CMPLNLGQSA-N 2 1 234.347 1.223 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccoc1 ZINC000629527837 361134373 /nfs/dbraw/zinc/13/43/73/361134373.db2.gz HMFLFXZNHTZMEV-WCFLWFBJSA-N 2 1 222.332 1.941 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@@H](C)C1 ZINC000224420218 491154734 /nfs/dbraw/zinc/15/47/34/491154734.db2.gz LYZUVCCXMGRCLI-RYUDHWBXSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1NC1CCC(C[NH3+])CC1 ZINC000629528944 361138363 /nfs/dbraw/zinc/13/83/63/361138363.db2.gz NRIRSEZITOPILR-IFWUJCSASA-N 2 1 225.380 1.234 20 0 BDADMP CC(C)CC[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000629524575 361124141 /nfs/dbraw/zinc/12/41/41/361124141.db2.gz SSJWWGJOZXRLDB-RWMBFGLXSA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](COC)CC(C)C ZINC000629525742 361127020 /nfs/dbraw/zinc/12/70/20/361127020.db2.gz APGRGCVAPXRNQT-RWMBFGLXSA-N 2 1 228.380 1.778 20 0 BDADMP CCSCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000158573051 361204187 /nfs/dbraw/zinc/20/41/87/361204187.db2.gz XBASXAHPQIWQKD-SNVBAGLBSA-N 2 1 202.367 1.281 20 0 BDADMP C[N@@H+](CCCO)CCCC[NH+]1CCCCC1 ZINC000640530905 361301631 /nfs/dbraw/zinc/30/16/31/361301631.db2.gz IABKSASNLRZAII-UHFFFAOYSA-N 2 1 228.380 1.567 20 0 BDADMP CCc1nc(C)c(CNCc2c[nH+]c(C)n2C)o1 ZINC000579026490 366699120 /nfs/dbraw/zinc/69/91/20/366699120.db2.gz ZIYKEDUAJBMCMR-UHFFFAOYSA-N 2 1 248.330 1.877 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000622045684 370680318 /nfs/dbraw/zinc/68/03/18/370680318.db2.gz OFNKNZHENGEGKZ-SDDRHHMPSA-N 2 1 213.369 1.044 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000622045684 370680320 /nfs/dbraw/zinc/68/03/20/370680320.db2.gz OFNKNZHENGEGKZ-SDDRHHMPSA-N 3 1 213.369 1.044 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000622045684 370680325 /nfs/dbraw/zinc/68/03/25/370680325.db2.gz OFNKNZHENGEGKZ-SDDRHHMPSA-N 3 1 213.369 1.044 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CC[N@H+]1C ZINC000163169966 361388606 /nfs/dbraw/zinc/38/86/06/361388606.db2.gz GKKKQOSVWMMGMN-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000429169991 201076749 /nfs/dbraw/zinc/07/67/49/201076749.db2.gz VYYGIJIFEWIBHJ-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1C[C@@H](O)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000429169991 201076753 /nfs/dbraw/zinc/07/67/53/201076753.db2.gz VYYGIJIFEWIBHJ-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1C[C@@H](O)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000429169991 201076756 /nfs/dbraw/zinc/07/67/56/201076756.db2.gz VYYGIJIFEWIBHJ-XQQFMLRXSA-N 2 1 226.364 1.316 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C1CC1 ZINC000629539305 361405147 /nfs/dbraw/zinc/40/51/47/361405147.db2.gz ZXRKFYAJBFMZCO-CDGCEXEKSA-N 2 1 240.391 1.778 20 0 BDADMP CCO[C@@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CC1 ZINC000629538171 361402229 /nfs/dbraw/zinc/40/22/29/361402229.db2.gz QXMWTAIGVQQWSE-DLOVCJGASA-N 2 1 212.337 1.223 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C1CC1 ZINC000629538171 361402231 /nfs/dbraw/zinc/40/22/31/361402231.db2.gz QXMWTAIGVQQWSE-DLOVCJGASA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1c[nH+]ccc1N ZINC000629546038 361427685 /nfs/dbraw/zinc/42/76/85/361427685.db2.gz FOWVBUBIYQUAGI-DRCTWCGVSA-N 2 1 247.342 1.712 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000629567315 361458287 /nfs/dbraw/zinc/45/82/87/361458287.db2.gz JYTLQSOFXBJWFD-UHFFFAOYSA-N 2 1 240.322 1.494 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000629570837 361460713 /nfs/dbraw/zinc/46/07/13/361460713.db2.gz NNSSNOQFTPSJMF-LBPRGKRZSA-N 2 1 237.347 1.310 20 0 BDADMP CCCCC[N@@H+](C)CCOCC[NH2+]C ZINC000629568195 361460784 /nfs/dbraw/zinc/46/07/84/361460784.db2.gz NXZYSCFUYVUVOK-UHFFFAOYSA-N 2 1 202.342 1.344 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000629572330 361463981 /nfs/dbraw/zinc/46/39/81/361463981.db2.gz QLRWXVJIQGVWIL-UONOGXRCSA-N 2 1 242.407 1.981 20 0 BDADMP CCC(C)(C)CC[N@@H+](C)CCOCC[NH3+] ZINC000629579880 361466023 /nfs/dbraw/zinc/46/60/23/361466023.db2.gz XDDGCSMBKGXIRA-UHFFFAOYSA-N 2 1 216.369 1.720 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C2CC2)cc1 ZINC000629581008 361470791 /nfs/dbraw/zinc/47/07/91/361470791.db2.gz JUVFHLZEEDENQT-UHFFFAOYSA-N 2 1 248.370 1.971 20 0 BDADMP C/C=C\C[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000629595553 361482021 /nfs/dbraw/zinc/48/20/21/361482021.db2.gz SCWMEBMKVUNXFC-ZRMMWKCHSA-N 2 1 226.364 1.640 20 0 BDADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000629594385 361486911 /nfs/dbraw/zinc/48/69/11/361486911.db2.gz BRRSJLIWRUKUKY-DTSKHDKYSA-N 2 1 238.375 1.653 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CCCCO1 ZINC000152359527 201196457 /nfs/dbraw/zinc/19/64/57/201196457.db2.gz BDVHJRWKFSPLOB-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@@H]1CCCCO1 ZINC000152359527 201196460 /nfs/dbraw/zinc/19/64/60/201196460.db2.gz BDVHJRWKFSPLOB-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCCO1 ZINC000152359527 201196462 /nfs/dbraw/zinc/19/64/62/201196462.db2.gz BDVHJRWKFSPLOB-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CS[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000448545871 201198750 /nfs/dbraw/zinc/19/87/50/201198750.db2.gz NWQWRBHOJPNUGX-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP CS[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000448545871 201198754 /nfs/dbraw/zinc/19/87/54/201198754.db2.gz NWQWRBHOJPNUGX-VXGBXAGGSA-N 2 1 228.405 1.908 20 0 BDADMP C1=C(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)COCC1 ZINC000629655373 361560491 /nfs/dbraw/zinc/56/04/91/361560491.db2.gz VNWWMRLYDPOJMD-QWHCGFSZSA-N 2 1 222.332 1.017 20 0 BDADMP C1=C(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)COCC1 ZINC000629655373 361560496 /nfs/dbraw/zinc/56/04/96/361560496.db2.gz VNWWMRLYDPOJMD-QWHCGFSZSA-N 2 1 222.332 1.017 20 0 BDADMP c1ccc2c(c1)C=C(C[NH2+]C1CC[NH2+]CC1)CO2 ZINC000629655940 361561603 /nfs/dbraw/zinc/56/16/03/361561603.db2.gz YNLVUTMDLKASAX-UHFFFAOYSA-N 2 1 244.338 1.804 20 0 BDADMP C[C@@H]([N@@H+](C)CC[C@@H]1CCC[NH+]1C)C(C)(C)O ZINC000448546765 201202326 /nfs/dbraw/zinc/20/23/26/201202326.db2.gz MFMPEHSLLNKQFI-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]([NH+](C)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)O ZINC000448546765 201202330 /nfs/dbraw/zinc/20/23/30/201202330.db2.gz MFMPEHSLLNKQFI-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]([NH+](C)CC[C@@H]1CCC[N@H+]1C)C(C)(C)O ZINC000448546765 201202331 /nfs/dbraw/zinc/20/23/31/201202331.db2.gz MFMPEHSLLNKQFI-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP COCc1ccc(C[NH2+][C@H](C)CC[NH3+])o1 ZINC000629648684 361542513 /nfs/dbraw/zinc/54/25/13/361542513.db2.gz ZMSAXJYGXATOEM-SECBINFHSA-N 2 1 212.293 1.253 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000629649053 361543257 /nfs/dbraw/zinc/54/32/57/361543257.db2.gz GNYOCHDYZFVCRE-GHMZBOCLSA-N 2 1 232.327 1.788 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000152701000 201205430 /nfs/dbraw/zinc/20/54/30/201205430.db2.gz MCIPNWTVVYUXSN-SRVKXCTJSA-N 2 1 214.353 1.484 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152701000 201205436 /nfs/dbraw/zinc/20/54/36/201205436.db2.gz MCIPNWTVVYUXSN-SRVKXCTJSA-N 2 1 214.353 1.484 20 0 BDADMP COC1(C[N@@H+](C)CC(C)(C)[NH3+])CCCC1 ZINC000629650336 361547886 /nfs/dbraw/zinc/54/78/86/361547886.db2.gz RPOREURZIKVALD-UHFFFAOYSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccn(C)c2)[C@@H]1CC[NH3+] ZINC000629650701 361548075 /nfs/dbraw/zinc/54/80/75/361548075.db2.gz ZTAASMMBWUNKBA-GXTWGEPZSA-N 2 1 235.375 1.974 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC1=CCCOC1)C2 ZINC000629650606 361548339 /nfs/dbraw/zinc/54/83/39/361548339.db2.gz XYZYNDJVOCYBJU-KBPBESRZSA-N 2 1 236.359 1.394 20 0 BDADMP C1=C(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)COCC1 ZINC000629653454 361552937 /nfs/dbraw/zinc/55/29/37/361552937.db2.gz JBEIEKXEMJCONF-AWEZNQCLSA-N 2 1 236.359 1.409 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629651822 361557389 /nfs/dbraw/zinc/55/73/89/361557389.db2.gz KSTXVHOUUANYMK-YPMHNXCESA-N 2 1 224.348 1.392 20 0 BDADMP CC[C@](C)([NH2+]CCC[NH+]1CCCCC1)C(N)=O ZINC000161902355 201230993 /nfs/dbraw/zinc/23/09/93/201230993.db2.gz YZFYCVNSRIYOMD-ZDUSSCGKSA-N 2 1 241.379 1.106 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000435388716 201266904 /nfs/dbraw/zinc/26/69/04/201266904.db2.gz GWEIRQQMOCSVOY-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC[NH2+]C)C1(C)C ZINC000435876915 201291666 /nfs/dbraw/zinc/29/16/66/201291666.db2.gz LOSVMFJMGOLOGQ-NEPJUHHUSA-N 2 1 228.380 1.731 20 0 BDADMP CCC[N@@H+](CCC[NH2+]C)C[C@H]1CCCCO1 ZINC000435880338 201291447 /nfs/dbraw/zinc/29/14/47/201291447.db2.gz ONYBZAADUMYBJU-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154331105 201274680 /nfs/dbraw/zinc/27/46/80/201274680.db2.gz KTRHFMIGESMPFM-AVGNSLFASA-N 2 1 230.396 1.713 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000435877932 201293117 /nfs/dbraw/zinc/29/31/17/201293117.db2.gz WJUUCGKZQNBUCM-GFCCVEGCSA-N 2 1 222.336 1.546 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000435877932 201293119 /nfs/dbraw/zinc/29/31/19/201293119.db2.gz WJUUCGKZQNBUCM-GFCCVEGCSA-N 2 1 222.336 1.546 20 0 BDADMP CNC(=O)c1ccc(C[N@H+](C)CCC[NH2+]C)cc1 ZINC000435871473 201293512 /nfs/dbraw/zinc/29/35/12/201293512.db2.gz SSUGRFHQYXRGIN-UHFFFAOYSA-N 2 1 249.358 1.088 20 0 BDADMP CNC(=O)c1ccc(C[N@@H+](C)CCC[NH2+]C)cc1 ZINC000435871473 201293516 /nfs/dbraw/zinc/29/35/16/201293516.db2.gz SSUGRFHQYXRGIN-UHFFFAOYSA-N 2 1 249.358 1.088 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000435885751 201294402 /nfs/dbraw/zinc/29/44/02/201294402.db2.gz NTMPZBJGCCQLKC-DGCLKSJQSA-N 2 1 228.380 1.731 20 0 BDADMP CCc1nc(N[C@@H]2CC[NH2+]C23CCC3)cc(C)[nH+]1 ZINC000630524590 364210977 /nfs/dbraw/zinc/21/09/77/364210977.db2.gz PPXNWYIRYAEFBR-LLVKDONJSA-N 2 1 246.358 1.466 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2cscn2)CC1 ZINC000044513383 181365219 /nfs/dbraw/zinc/36/52/19/181365219.db2.gz QYBPLWRAHLABSQ-UHFFFAOYSA-N 2 1 211.334 1.314 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248119515 364627296 /nfs/dbraw/zinc/62/72/96/364627296.db2.gz NETAXUXTSYKSQU-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248119515 364627300 /nfs/dbraw/zinc/62/73/00/364627300.db2.gz NETAXUXTSYKSQU-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248119515 364627306 /nfs/dbraw/zinc/62/73/06/364627306.db2.gz NETAXUXTSYKSQU-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(CC)C1 ZINC000573574292 364865605 /nfs/dbraw/zinc/86/56/05/364865605.db2.gz QXCKUYGKNICCPR-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(CC)C1 ZINC000573574292 364865611 /nfs/dbraw/zinc/86/56/11/364865611.db2.gz QXCKUYGKNICCPR-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(CC)C1 ZINC000573574292 364865613 /nfs/dbraw/zinc/86/56/13/364865613.db2.gz QXCKUYGKNICCPR-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000573914376 364944194 /nfs/dbraw/zinc/94/41/94/364944194.db2.gz ZUUZRLAKCDFDRH-MELADBBJSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C[C@H]1C ZINC000574050127 364977193 /nfs/dbraw/zinc/97/71/93/364977193.db2.gz BVFOWPJFJQVCRD-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)C[C@H]1C ZINC000574050127 364977197 /nfs/dbraw/zinc/97/71/97/364977197.db2.gz BVFOWPJFJQVCRD-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000574050127 364977199 /nfs/dbraw/zinc/97/71/99/364977199.db2.gz BVFOWPJFJQVCRD-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000574050127 364977203 /nfs/dbraw/zinc/97/72/03/364977203.db2.gz BVFOWPJFJQVCRD-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP [NH3+]CCC[N@@H+](Cc1cc[nH]n1)CC1CCCC1 ZINC000352535754 181379847 /nfs/dbraw/zinc/37/98/47/181379847.db2.gz VDUKBEPADCYISE-UHFFFAOYSA-N 2 1 236.363 1.751 20 0 BDADMP [NH3+]CCC[N@H+](Cc1cc[nH]n1)CC1CCCC1 ZINC000352535754 181379849 /nfs/dbraw/zinc/37/98/49/181379849.db2.gz VDUKBEPADCYISE-UHFFFAOYSA-N 2 1 236.363 1.751 20 0 BDADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000574845647 365159217 /nfs/dbraw/zinc/15/92/17/365159217.db2.gz HXXFXQRORCVPFG-UONOGXRCSA-N 2 1 241.423 1.458 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCOCC1 ZINC000576129118 365495861 /nfs/dbraw/zinc/49/58/61/365495861.db2.gz ZEVDBWPSLKMAIL-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000380321521 367178377 /nfs/dbraw/zinc/17/83/77/367178377.db2.gz KPTWKOUKPQMKMT-JHJVBQTASA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@@H]1C ZINC000380662477 367269800 /nfs/dbraw/zinc/26/98/00/367269800.db2.gz AYEBBCHGTBDBJV-RKDXNWHRSA-N 2 1 238.335 1.494 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000381460779 367409518 /nfs/dbraw/zinc/40/95/18/367409518.db2.gz KZFUYTQOLTXLAL-ZYHUDNBSSA-N 2 1 221.348 1.987 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1(F)CC1 ZINC000381469841 367413659 /nfs/dbraw/zinc/41/36/59/367413659.db2.gz NWWFNPUJXPPWGB-SNVBAGLBSA-N 2 1 225.311 1.919 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000381621818 367440067 /nfs/dbraw/zinc/44/00/67/367440067.db2.gz AIGYYHWMVNLGCD-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnccn2)C1 ZINC000581474391 367506735 /nfs/dbraw/zinc/50/67/35/367506735.db2.gz FNHJIGSKTUTEOG-TZMCWYRMSA-N 2 1 246.358 1.393 20 0 BDADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnccn2)C1 ZINC000581474391 367506737 /nfs/dbraw/zinc/50/67/37/367506737.db2.gz FNHJIGSKTUTEOG-TZMCWYRMSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnccn2)C1 ZINC000581474391 367506739 /nfs/dbraw/zinc/50/67/39/367506739.db2.gz FNHJIGSKTUTEOG-TZMCWYRMSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnccn2)C1 ZINC000581474391 367506741 /nfs/dbraw/zinc/50/67/41/367506741.db2.gz FNHJIGSKTUTEOG-TZMCWYRMSA-N 2 1 246.358 1.393 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000383497112 367629156 /nfs/dbraw/zinc/62/91/56/367629156.db2.gz DJGNJBXVVACBBG-TZMCWYRMSA-N 2 1 238.375 1.387 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000383497112 367629159 /nfs/dbraw/zinc/62/91/59/367629159.db2.gz DJGNJBXVVACBBG-TZMCWYRMSA-N 2 1 238.375 1.387 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000384806609 367735063 /nfs/dbraw/zinc/73/50/63/367735063.db2.gz ZRTZJYLSAFBIGC-IJLUTSLNSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000384806609 367735071 /nfs/dbraw/zinc/73/50/71/367735071.db2.gz ZRTZJYLSAFBIGC-IJLUTSLNSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384925804 367759067 /nfs/dbraw/zinc/75/90/67/367759067.db2.gz PRTFOQPPMZWRKC-JHJVBQTASA-N 2 1 228.380 1.872 20 0 BDADMP C[C@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CC[N@H+]1C ZINC000566185306 326008996 /nfs/dbraw/zinc/00/89/96/326008996.db2.gz AZNLGRBAGXCKGJ-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000386049327 367905107 /nfs/dbraw/zinc/90/51/07/367905107.db2.gz VCQIMHKEIWPKIW-RWMBFGLXSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C[NH2+]1 ZINC000399238933 367910718 /nfs/dbraw/zinc/91/07/18/367910718.db2.gz STVXVGRIHLCGJO-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]([NH2+]CC1(O)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000385987449 367892319 /nfs/dbraw/zinc/89/23/19/367892319.db2.gz DPACHEKLJPULSJ-QWRGUYRKSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@H]([NH2+]CCc1ccccn1)[C@@H]1CCCC[NH2+]1 ZINC000386546288 367990450 /nfs/dbraw/zinc/99/04/50/367990450.db2.gz FWHIXMIKUJVXLH-JSGCOSHPSA-N 2 1 233.359 1.744 20 0 BDADMP CC[N@@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386575490 367994274 /nfs/dbraw/zinc/99/42/74/367994274.db2.gz NBHLPOKCNABZMG-VXGBXAGGSA-N 2 1 213.369 1.058 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386578036 367994645 /nfs/dbraw/zinc/99/46/45/367994645.db2.gz NUYNRRZHETVVHQ-TUAOUCFPSA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386578035 367995429 /nfs/dbraw/zinc/99/54/29/367995429.db2.gz NUYNRRZHETVVHQ-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCC[NH2+]1 ZINC000386430080 367970215 /nfs/dbraw/zinc/97/02/15/367970215.db2.gz LFZCXGQSDWFIDM-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCCC[NH2+]1 ZINC000386622715 368003395 /nfs/dbraw/zinc/00/33/95/368003395.db2.gz YKKGHNQVRYDKTJ-MNOVXSKESA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386626573 368003603 /nfs/dbraw/zinc/00/36/03/368003603.db2.gz ZBPMNZRBDOMQHV-RWMBFGLXSA-N 2 1 228.380 1.514 20 0 BDADMP CCN(CC)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086401886 368880332 /nfs/dbraw/zinc/88/03/32/368880332.db2.gz FHFMPTRGGSRJMV-NEPJUHHUSA-N 2 1 213.369 1.188 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086401975 368880382 /nfs/dbraw/zinc/88/03/82/368880382.db2.gz KVQMFPHRLKEOEL-CHWSQXEVSA-N 3 1 227.396 1.578 20 0 BDADMP Cc1nccnc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000631828104 368998015 /nfs/dbraw/zinc/99/80/15/368998015.db2.gz FFRARBWAOFCEJZ-WZRBSPASSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000631828104 368998019 /nfs/dbraw/zinc/99/80/19/368998019.db2.gz FFRARBWAOFCEJZ-WZRBSPASSA-N 2 1 248.374 1.590 20 0 BDADMP C[C@H](F)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459595708 203311618 /nfs/dbraw/zinc/31/16/18/203311618.db2.gz SZFGJNGXDXFKJJ-JTQLQIEISA-N 2 1 214.328 1.951 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000459630792 203323433 /nfs/dbraw/zinc/32/34/33/203323433.db2.gz JAHBVNPYXCGZLS-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000459630795 203324675 /nfs/dbraw/zinc/32/46/75/203324675.db2.gz JAHBVNPYXCGZLS-YIYPIFLZSA-N 2 1 240.391 1.874 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404397474 369428212 /nfs/dbraw/zinc/42/82/12/369428212.db2.gz PKUFRTQSBVFXPM-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459724945 203341190 /nfs/dbraw/zinc/34/11/90/203341190.db2.gz FJASZJHSBOYESI-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ncc[nH]2)C1 ZINC000459732649 203345161 /nfs/dbraw/zinc/34/51/61/203345161.db2.gz MHTZYEIOHDNLEB-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000459769738 203362145 /nfs/dbraw/zinc/36/21/45/203362145.db2.gz HMWDWEUNIWQXQY-OLZOCXBDSA-N 2 1 237.347 1.739 20 0 BDADMP CC[C@@H](COC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459779631 203365568 /nfs/dbraw/zinc/36/55/68/203365568.db2.gz LLLNEIVVSCZMHG-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP COCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889628 326276918 /nfs/dbraw/zinc/27/69/18/326276918.db2.gz DHYKJGONSFGWRK-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP C[NH2+]C1(CNc2nc(C)[nH+]c(C)c2C)CCC1 ZINC000621324590 370254394 /nfs/dbraw/zinc/25/43/94/370254394.db2.gz RDDOOJSSYAWJSU-UHFFFAOYSA-N 2 1 234.347 1.378 20 0 BDADMP CN1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000621776485 370524249 /nfs/dbraw/zinc/52/42/49/370524249.db2.gz MRZQBRSSTDYNTJ-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000621776898 370525491 /nfs/dbraw/zinc/52/54/91/370525491.db2.gz ZNNSIYRSZMUUNU-NWDGAFQWSA-N 2 1 236.363 1.257 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000621776900 370525685 /nfs/dbraw/zinc/52/56/85/370525685.db2.gz ZNNSIYRSZMUUNU-VXGBXAGGSA-N 2 1 236.363 1.257 20 0 BDADMP CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621777339 370526154 /nfs/dbraw/zinc/52/61/54/370526154.db2.gz AWRVAVAJAIXPSS-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621777339 370526157 /nfs/dbraw/zinc/52/61/57/370526157.db2.gz AWRVAVAJAIXPSS-RYUDHWBXSA-N 2 1 212.337 1.225 20 0 BDADMP CCn1cc(CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621783415 370533595 /nfs/dbraw/zinc/53/35/95/370533595.db2.gz BCWRKDIEIWJGDX-KBPBESRZSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1cc(CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621783415 370533596 /nfs/dbraw/zinc/53/35/96/370533596.db2.gz BCWRKDIEIWJGDX-KBPBESRZSA-N 2 1 248.374 1.259 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC1CC=CC1)C2 ZINC000621784502 370535506 /nfs/dbraw/zinc/53/55/06/370535506.db2.gz PWFDQAXUOMBWNB-OLZOCXBDSA-N 2 1 206.333 1.766 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000623786535 371092266 /nfs/dbraw/zinc/09/22/66/371092266.db2.gz WMABSQNIQCQQLA-MJBXVCDLSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623786535 371092271 /nfs/dbraw/zinc/09/22/71/371092271.db2.gz WMABSQNIQCQQLA-MJBXVCDLSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623786535 371092276 /nfs/dbraw/zinc/09/22/76/371092276.db2.gz WMABSQNIQCQQLA-MJBXVCDLSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623786535 371092281 /nfs/dbraw/zinc/09/22/81/371092281.db2.gz WMABSQNIQCQQLA-MJBXVCDLSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623786535 371092288 /nfs/dbraw/zinc/09/22/88/371092288.db2.gz WMABSQNIQCQQLA-MJBXVCDLSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@]2(C)CO)CC[NH2+]1 ZINC000569199960 326394600 /nfs/dbraw/zinc/39/46/00/326394600.db2.gz DDLQPYRTCAYQHD-AGIUHOORSA-N 2 1 226.364 1.221 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]CCn2cccn2)c2ccccc21 ZINC000132049179 181658103 /nfs/dbraw/zinc/65/81/03/181658103.db2.gz BKCRXEYUZDRWQN-UONOGXRCSA-N 2 1 242.326 1.618 20 0 BDADMP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nc(C)[nH+]1 ZINC000624256897 371443985 /nfs/dbraw/zinc/44/39/85/371443985.db2.gz LRXDEMQVGFCBKG-PJXYFTJBSA-N 2 1 232.331 1.090 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC)C2)[C@H](C)C1 ZINC000624296578 371462128 /nfs/dbraw/zinc/46/21/28/371462128.db2.gz AXPANYWEQJLVID-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)n1nccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401679557 371799445 /nfs/dbraw/zinc/79/94/45/371799445.db2.gz QJRYCOQVKNQMHQ-UHFFFAOYSA-N 2 1 247.346 1.530 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000631666641 372491803 /nfs/dbraw/zinc/49/18/03/372491803.db2.gz GNYWTRUUYMDDCO-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C(F)F)CC[N@H+]1C ZINC000631697698 372510243 /nfs/dbraw/zinc/51/02/43/372510243.db2.gz OOMGPTHPWFIGNX-BBBLOLIVSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822582 372599078 /nfs/dbraw/zinc/59/90/78/372599078.db2.gz IOBZWEQGVQWDTH-CSHRUCKSSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000631823363 372599804 /nfs/dbraw/zinc/59/98/04/372599804.db2.gz CKJNWRULJVDYQC-MEBFFEOJSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000631828013 372608552 /nfs/dbraw/zinc/60/85/52/372608552.db2.gz BZIFNICWOITAGH-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP Cc1nccnc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000631828102 372609019 /nfs/dbraw/zinc/60/90/19/372609019.db2.gz FFRARBWAOFCEJZ-LOWVWBTDSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000631828102 372609026 /nfs/dbraw/zinc/60/90/26/372609026.db2.gz FFRARBWAOFCEJZ-LOWVWBTDSA-N 2 1 248.374 1.590 20 0 BDADMP COCC[C@H](C)[N@H+]1CCCCC[C@H](N)C1 ZINC000631834321 372618941 /nfs/dbraw/zinc/61/89/41/372618941.db2.gz UXRUFYXZDDBHBR-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP COCC[C@H](C)N1CCCCC[C@H]([NH3+])C1 ZINC000631834321 372618946 /nfs/dbraw/zinc/61/89/46/372618946.db2.gz UXRUFYXZDDBHBR-RYUDHWBXSA-N 2 1 214.353 1.615 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000631835084 372621138 /nfs/dbraw/zinc/62/11/38/372621138.db2.gz MBGFYLNQYAKIIX-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@@H]1CCCCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000631835084 372621145 /nfs/dbraw/zinc/62/11/45/372621145.db2.gz MBGFYLNQYAKIIX-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000631837338 372626663 /nfs/dbraw/zinc/62/66/63/372626663.db2.gz RBPUEPRHFAUDMV-ZWNOBZJWSA-N 2 1 219.332 1.417 20 0 BDADMP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631842287 372641626 /nfs/dbraw/zinc/64/16/26/372641626.db2.gz YAFHNXXDHQJALK-RKDXNWHRSA-N 2 1 240.269 1.092 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631842287 372641629 /nfs/dbraw/zinc/64/16/29/372641629.db2.gz YAFHNXXDHQJALK-RKDXNWHRSA-N 2 1 240.269 1.092 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631873217 372674835 /nfs/dbraw/zinc/67/48/35/372674835.db2.gz MVCIGTDVFCQQIO-AWEZNQCLSA-N 2 1 240.391 1.864 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)OCC1CC1 ZINC000631887975 372681669 /nfs/dbraw/zinc/68/16/69/372681669.db2.gz SEDAOKMUSBNYQD-ZIAGYGMSSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887266 372682014 /nfs/dbraw/zinc/68/20/14/372682014.db2.gz PQJOQTVNIPVNKE-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)OCC1CC1 ZINC000631887972 372682150 /nfs/dbraw/zinc/68/21/50/372682150.db2.gz SEDAOKMUSBNYQD-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP Cn1cc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cn1 ZINC000631888883 372683697 /nfs/dbraw/zinc/68/36/97/372683697.db2.gz CRMWDLCVQMZUCA-ZIAGYGMSSA-N 2 1 248.374 1.037 20 0 BDADMP c1cncc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891033 372686389 /nfs/dbraw/zinc/68/63/89/372686389.db2.gz XLUCLDJSTFASCY-GJZGRUSLSA-N 2 1 245.370 1.698 20 0 BDADMP CCN(CC[NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000041160359 374116042 /nfs/dbraw/zinc/11/60/42/374116042.db2.gz HCGMWIXTQNBROB-UHFFFAOYSA-N 2 1 237.347 1.488 20 0 BDADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000070348219 374138382 /nfs/dbraw/zinc/13/83/82/374138382.db2.gz MCSWTNOUSODSRP-UONOGXRCSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCOC(F)F)CC[N@H+]1C ZINC000194032078 206001280 /nfs/dbraw/zinc/00/12/80/206001280.db2.gz OYQDYBQLKJBDKU-UWVGGRQHSA-N 2 1 236.306 1.688 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000459415046 206011308 /nfs/dbraw/zinc/01/13/08/206011308.db2.gz ZJRPODQAHAINFP-STQMWFEESA-N 2 1 237.347 1.510 20 0 BDADMP C[NH+](CC(O)C[N@H+](C)C1CCC1)C1CCC1 ZINC000194556696 206094280 /nfs/dbraw/zinc/09/42/80/206094280.db2.gz RUGJELHBOFIKQV-UHFFFAOYSA-N 2 1 226.364 1.316 20 0 BDADMP OCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371207663 183074725 /nfs/dbraw/zinc/07/47/25/183074725.db2.gz LQGWBJMRPRNSRU-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP OCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371207663 183074726 /nfs/dbraw/zinc/07/47/26/183074726.db2.gz LQGWBJMRPRNSRU-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCC[NH+](CC)C(C)C ZINC000359260946 169069780 /nfs/dbraw/zinc/06/97/80/169069780.db2.gz CYBLZMLKIQKCET-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NCC[N@H+](CC)C(C)C ZINC000359260946 169069781 /nfs/dbraw/zinc/06/97/81/169069781.db2.gz CYBLZMLKIQKCET-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NCC[N@@H+](CC)C(C)C ZINC000359260946 169069783 /nfs/dbraw/zinc/06/97/83/169069783.db2.gz CYBLZMLKIQKCET-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC)C1 ZINC000304707769 169078108 /nfs/dbraw/zinc/07/81/08/169078108.db2.gz LCOZQQKEEJOERJ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC)C1 ZINC000304707769 169078111 /nfs/dbraw/zinc/07/81/11/169078111.db2.gz LCOZQQKEEJOERJ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC)C1 ZINC000304707769 169078114 /nfs/dbraw/zinc/07/81/14/169078114.db2.gz LCOZQQKEEJOERJ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000308893495 169123605 /nfs/dbraw/zinc/12/36/05/169123605.db2.gz YRVXUDCPJYNOSZ-LBPRGKRZSA-N 3 1 215.385 1.435 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000308893495 169123606 /nfs/dbraw/zinc/12/36/06/169123606.db2.gz YRVXUDCPJYNOSZ-LBPRGKRZSA-N 3 1 215.385 1.435 20 0 BDADMP CCC[NH+](CCC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336652693 169148910 /nfs/dbraw/zinc/14/89/10/169148910.db2.gz ITJYSENAPVBUHC-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[NH+](CCC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336652693 169148911 /nfs/dbraw/zinc/14/89/11/169148911.db2.gz ITJYSENAPVBUHC-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(C)(C)O ZINC000336712193 169170975 /nfs/dbraw/zinc/17/09/75/169170975.db2.gz OAJUWLNKQSGAPL-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000336712193 169170977 /nfs/dbraw/zinc/17/09/77/169170977.db2.gz OAJUWLNKQSGAPL-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000336712193 169170978 /nfs/dbraw/zinc/17/09/78/169170978.db2.gz OAJUWLNKQSGAPL-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000353973440 169197225 /nfs/dbraw/zinc/19/72/25/169197225.db2.gz PYBUBPNGHAQMNQ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000353973440 169197227 /nfs/dbraw/zinc/19/72/27/169197227.db2.gz PYBUBPNGHAQMNQ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP c1cc2c(nc[nH+]c2NCCC[NH+]2CCCC2)[nH]1 ZINC000339240129 183365481 /nfs/dbraw/zinc/36/54/81/183365481.db2.gz ZUXOJOWZFXZRFW-UHFFFAOYSA-N 2 1 245.330 1.807 20 0 BDADMP CCC[C@@H](C)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000336691984 169359135 /nfs/dbraw/zinc/35/91/35/169359135.db2.gz HJFZVSAQRLUAMC-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000223820234 134342850 /nfs/dbraw/zinc/34/28/50/134342850.db2.gz BQRPEGPHLAZCMZ-KGLIPLIRSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000224438547 134347251 /nfs/dbraw/zinc/34/72/51/134347251.db2.gz VXVZXHDGGMDKNR-SNVBAGLBSA-N 2 1 236.306 1.076 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000307661859 532961915 /nfs/dbraw/zinc/96/19/15/532961915.db2.gz VKKQNTABBKSMGE-KGLIPLIRSA-N 2 1 247.386 1.540 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227192127 134375029 /nfs/dbraw/zinc/37/50/29/134375029.db2.gz CGMRGDHGNPGZHT-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000400177323 383825284 /nfs/dbraw/zinc/82/52/84/383825284.db2.gz PRDQSMFVPOPECY-TZMCWYRMSA-N 2 1 240.391 1.731 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000301010910 383842810 /nfs/dbraw/zinc/84/28/10/383842810.db2.gz XPLAAMRJRCCAAI-QWRGUYRKSA-N 2 1 232.318 1.963 20 0 BDADMP C[N@@H+](CCCC(C)(C)C)CCOCC[NH3+] ZINC000301013583 383843119 /nfs/dbraw/zinc/84/31/19/383843119.db2.gz HDQBPAIECWHODM-UHFFFAOYSA-N 2 1 216.369 1.720 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000070074076 383858564 /nfs/dbraw/zinc/85/85/64/383858564.db2.gz JPXKDXXEUODRLV-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000020439737 383878193 /nfs/dbraw/zinc/87/81/93/383878193.db2.gz OFQDHZMVJLQEKE-CYBMUJFWSA-N 2 1 219.332 1.785 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000301004578 383829591 /nfs/dbraw/zinc/82/95/91/383829591.db2.gz WLXWNGDPFYOGNM-SNVBAGLBSA-N 2 1 220.307 1.963 20 0 BDADMP C[N@H+](Cc1ccccn1)CC1CC[NH2+]CC1 ZINC000036777705 383910459 /nfs/dbraw/zinc/91/04/59/383910459.db2.gz IKMWRWMKKMFNSJ-UHFFFAOYSA-N 2 1 219.332 1.513 20 0 BDADMP c1ncc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000054767892 383979927 /nfs/dbraw/zinc/97/99/27/383979927.db2.gz FNFVKXIHHLKGLM-NSHDSACASA-N 2 1 232.331 1.051 20 0 BDADMP c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000054767892 383979933 /nfs/dbraw/zinc/97/99/33/383979933.db2.gz FNFVKXIHHLKGLM-NSHDSACASA-N 2 1 232.331 1.051 20 0 BDADMP c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000054767892 383979937 /nfs/dbraw/zinc/97/99/37/383979937.db2.gz FNFVKXIHHLKGLM-NSHDSACASA-N 2 1 232.331 1.051 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000336457618 383946570 /nfs/dbraw/zinc/94/65/70/383946570.db2.gz LSRYXLQZNSHLSJ-UHFFFAOYSA-N 2 1 248.374 1.778 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1C ZINC000070829485 383965330 /nfs/dbraw/zinc/96/53/30/383965330.db2.gz ZWUPDURISZJFIV-ZYHUDNBSSA-N 2 1 207.321 1.970 20 0 BDADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000305123182 384016679 /nfs/dbraw/zinc/01/66/79/384016679.db2.gz KGHWGXXFLOSPLK-XJFOESAGSA-N 2 1 242.407 1.713 20 0 BDADMP COc1cc(C)c(C[N@H+](C)CCC[NH3+])c(C)n1 ZINC000517742095 384050608 /nfs/dbraw/zinc/05/06/08/384050608.db2.gz MHZJLWLMCBBYEK-UHFFFAOYSA-N 2 1 237.347 1.488 20 0 BDADMP COc1cc(C)c(C[N@@H+](C)CCC[NH3+])c(C)n1 ZINC000517742095 384050616 /nfs/dbraw/zinc/05/06/16/384050616.db2.gz MHZJLWLMCBBYEK-UHFFFAOYSA-N 2 1 237.347 1.488 20 0 BDADMP CCOCC[N@H+](C)CCC[NH+](CC)CC ZINC000172582752 384106192 /nfs/dbraw/zinc/10/61/92/384106192.db2.gz XGDIXAGHGYHJAU-UHFFFAOYSA-N 2 1 216.369 1.687 20 0 BDADMP CCOCC[N@@H+](C)CCC[NH+](CC)CC ZINC000172582752 384106204 /nfs/dbraw/zinc/10/62/04/384106204.db2.gz XGDIXAGHGYHJAU-UHFFFAOYSA-N 2 1 216.369 1.687 20 0 BDADMP CC[C@@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158916 384093944 /nfs/dbraw/zinc/09/39/44/384093944.db2.gz WKULRUBVBHHCHL-SNVBAGLBSA-N 2 1 232.287 1.605 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccn2)CC[NH2+]1 ZINC000235366031 384171677 /nfs/dbraw/zinc/17/16/77/384171677.db2.gz CVVUTSXZVYSSHJ-CHWSQXEVSA-N 2 1 233.359 1.902 20 0 BDADMP CSCCCN(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000393810169 384187711 /nfs/dbraw/zinc/18/77/11/384187711.db2.gz SGDCFMIIBMMHCC-LBPRGKRZSA-N 2 1 248.436 1.372 20 0 BDADMP CSCCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000393810169 384187717 /nfs/dbraw/zinc/18/77/17/384187717.db2.gz SGDCFMIIBMMHCC-LBPRGKRZSA-N 2 1 248.436 1.372 20 0 BDADMP CSCCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000393810169 384187721 /nfs/dbraw/zinc/18/77/21/384187721.db2.gz SGDCFMIIBMMHCC-LBPRGKRZSA-N 2 1 248.436 1.372 20 0 BDADMP CSCCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000393810169 384187726 /nfs/dbraw/zinc/18/77/26/384187726.db2.gz SGDCFMIIBMMHCC-LBPRGKRZSA-N 2 1 248.436 1.372 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@H]2CCC[C@H]21 ZINC000560530688 384197819 /nfs/dbraw/zinc/19/78/19/384197819.db2.gz RPSXBZIXFCPJMG-FRRDWIJNSA-N 2 1 234.347 1.372 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc[nH]n2)[C@H]2CCC[C@H]21 ZINC000560530688 384197822 /nfs/dbraw/zinc/19/78/22/384197822.db2.gz RPSXBZIXFCPJMG-FRRDWIJNSA-N 2 1 234.347 1.372 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2)C1 ZINC000235439952 384229853 /nfs/dbraw/zinc/22/98/53/384229853.db2.gz CZXQMHHRQBMABP-ZDUSSCGKSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000235439952 384229860 /nfs/dbraw/zinc/22/98/60/384229860.db2.gz CZXQMHHRQBMABP-ZDUSSCGKSA-N 2 1 222.307 1.996 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000168507252 384238986 /nfs/dbraw/zinc/23/89/86/384238986.db2.gz JYTSSSUCOZXTHI-WISYIIOYSA-N 2 1 212.337 1.223 20 0 BDADMP C[N@H+](Cc1cncs1)CC1CC[NH+](C)CC1 ZINC000093088736 384211580 /nfs/dbraw/zinc/21/15/80/384211580.db2.gz ZGXDPVQAAAJHBH-UHFFFAOYSA-N 2 1 239.388 1.917 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCO)CC[N@@H+]1C ZINC000173528855 384227357 /nfs/dbraw/zinc/22/73/57/384227357.db2.gz SVJHTWCMDOBRNR-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCO)CC[N@H+]1C ZINC000173528855 384227360 /nfs/dbraw/zinc/22/73/60/384227360.db2.gz SVJHTWCMDOBRNR-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCO)CC[NH+]1C ZINC000173528855 384227364 /nfs/dbraw/zinc/22/73/64/384227364.db2.gz SVJHTWCMDOBRNR-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCO)CC[NH+]1C ZINC000173528855 384227371 /nfs/dbraw/zinc/22/73/71/384227371.db2.gz SVJHTWCMDOBRNR-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000082581721 384243428 /nfs/dbraw/zinc/24/34/28/384243428.db2.gz XLMCKLCVFNAMPS-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP COC1(C[N@@H+](C)C2CC([NH3+])C2)CCCC1 ZINC000319386538 384247633 /nfs/dbraw/zinc/24/76/33/384247633.db2.gz DABQQQGWAPRCKU-UHFFFAOYSA-N 2 1 212.337 1.367 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000397476084 384253632 /nfs/dbraw/zinc/25/36/32/384253632.db2.gz GWVQDZBLSHILBK-ZOBORPQBSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000228476278 384260739 /nfs/dbraw/zinc/26/07/39/384260739.db2.gz OSOIDHQLOYPUCS-UMSGYPCISA-N 2 1 224.348 1.082 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000558726696 384264581 /nfs/dbraw/zinc/26/45/81/384264581.db2.gz GAPUTSJMFHFVNH-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCC2CC2)C1 ZINC000173913996 384285044 /nfs/dbraw/zinc/28/50/44/384285044.db2.gz XQWHJHSLVXLVKI-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC2CC2)C1 ZINC000173913996 384285049 /nfs/dbraw/zinc/28/50/49/384285049.db2.gz XQWHJHSLVXLVKI-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000173913996 384285057 /nfs/dbraw/zinc/28/50/57/384285057.db2.gz XQWHJHSLVXLVKI-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000173913996 384285064 /nfs/dbraw/zinc/28/50/64/384285064.db2.gz XQWHJHSLVXLVKI-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP COCC(C)(C)[NH2+]CCCCn1cc[nH+]c1C ZINC000179421924 384288840 /nfs/dbraw/zinc/28/88/40/384288840.db2.gz YJRBCPJGGRZGOX-UHFFFAOYSA-N 2 1 239.363 1.986 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc2ccccn12 ZINC000647509182 384337901 /nfs/dbraw/zinc/33/79/01/384337901.db2.gz SERPAOGMWHJHOG-NWDGAFQWSA-N 2 1 244.342 1.503 20 0 BDADMP C(C1CC1)[N@H+]1C[C@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000361303308 384366949 /nfs/dbraw/zinc/36/69/49/384366949.db2.gz HSSLLSURFGAWNQ-MJBXVCDLSA-N 2 1 220.360 1.813 20 0 BDADMP C(C1CC1)[NH+]1C[C@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361303308 384366956 /nfs/dbraw/zinc/36/69/56/384366956.db2.gz HSSLLSURFGAWNQ-MJBXVCDLSA-N 2 1 220.360 1.813 20 0 BDADMP C(C1CC1)[NH+]1C[C@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361303308 384366965 /nfs/dbraw/zinc/36/69/65/384366965.db2.gz HSSLLSURFGAWNQ-MJBXVCDLSA-N 2 1 220.360 1.813 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccccn1 ZINC000405437276 384331641 /nfs/dbraw/zinc/33/16/41/384331641.db2.gz CLSXJBTWGYPWBS-GHMZBOCLSA-N 2 1 205.305 1.297 20 0 BDADMP C[C@H]([NH3+])C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000564455129 384392724 /nfs/dbraw/zinc/39/27/24/384392724.db2.gz WZENPJOZDQXAHT-LBPRGKRZSA-N 2 1 234.343 1.629 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000566416516 384413179 /nfs/dbraw/zinc/41/31/79/384413179.db2.gz MOIAQALPSUWGED-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084215637 384376873 /nfs/dbraw/zinc/37/68/73/384376873.db2.gz QGEXMVZPGGJRAZ-NWDGAFQWSA-N 3 1 213.369 1.045 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335607344 384379893 /nfs/dbraw/zinc/37/98/93/384379893.db2.gz RBUFMAWUCXXHPJ-JQWIXIFHSA-N 2 1 210.321 1.015 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335607343 384382061 /nfs/dbraw/zinc/38/20/61/384382061.db2.gz RBUFMAWUCXXHPJ-CMPLNLGQSA-N 2 1 210.321 1.015 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CCCC[NH3+])c2ccccc21 ZINC000147855603 384457372 /nfs/dbraw/zinc/45/73/72/384457372.db2.gz MFUKYKDHABELAJ-OLZOCXBDSA-N 2 1 219.332 1.460 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000647515738 384457535 /nfs/dbraw/zinc/45/75/35/384457535.db2.gz GUFUAUFVDFCDFO-ZDUSSCGKSA-N 2 1 228.380 1.326 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@H](CCO)C2)CC[NH2+]C1 ZINC000647515911 384459932 /nfs/dbraw/zinc/45/99/32/384459932.db2.gz ZTZLPFHYKMVAOP-OLZOCXBDSA-N 2 1 226.364 1.080 20 0 BDADMP C1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000036996511 384469673 /nfs/dbraw/zinc/46/96/73/384469673.db2.gz FUVZZTOLLKWTFS-WOPDTQHZSA-N 2 1 226.389 1.708 20 0 BDADMP C1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CS1 ZINC000036996511 384469679 /nfs/dbraw/zinc/46/96/79/384469679.db2.gz FUVZZTOLLKWTFS-WOPDTQHZSA-N 2 1 226.389 1.708 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000236712181 384554430 /nfs/dbraw/zinc/55/44/30/384554430.db2.gz CBIRZKWGFMQNKL-LLVKDONJSA-N 2 1 243.395 1.208 20 0 BDADMP c1cc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000643057148 384559667 /nfs/dbraw/zinc/55/96/67/384559667.db2.gz GELYJWPMOGAQDH-QWHCGFSZSA-N 2 1 248.374 1.589 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000647336585 384576550 /nfs/dbraw/zinc/57/65/50/384576550.db2.gz CSCJBOZVDIDECT-REWJHTLYSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000647336585 384576556 /nfs/dbraw/zinc/57/65/56/384576556.db2.gz CSCJBOZVDIDECT-REWJHTLYSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]([NH2+]C1CCN(C)CC1)c1ccccn1 ZINC000020123235 384577415 /nfs/dbraw/zinc/57/74/15/384577415.db2.gz CXEYYTVQVLNVJG-LLVKDONJSA-N 2 1 219.332 1.826 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccnc1 ZINC000020127475 384580450 /nfs/dbraw/zinc/58/04/50/384580450.db2.gz GGWQGROSUXSABN-LLVKDONJSA-N 2 1 219.332 1.826 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CC2)CC[N@H+]1C ZINC000309792765 384610467 /nfs/dbraw/zinc/61/04/67/384610467.db2.gz UTHBUSOUNKPSOE-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248678 384622814 /nfs/dbraw/zinc/62/28/14/384622814.db2.gz XTMXTIYTHQMYCN-WDEREUQCSA-N 2 1 235.331 1.450 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000397414457 384601417 /nfs/dbraw/zinc/60/14/17/384601417.db2.gz XILXWYUNYQLAMY-UTUOFQBUSA-N 2 1 236.363 1.225 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403321177 384634480 /nfs/dbraw/zinc/63/44/80/384634480.db2.gz ABEDRQDPNZBFTH-GMXVVIOVSA-N 2 1 208.349 1.859 20 0 BDADMP FCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000306172884 384723886 /nfs/dbraw/zinc/72/38/86/384723886.db2.gz SLWZUXMZXJIIHM-UHFFFAOYSA-N 2 1 200.301 1.422 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000335913878 384678994 /nfs/dbraw/zinc/67/89/94/384678994.db2.gz ZGAQCJKOBNZBNA-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP C1CC1[NH+]1CCC([NH2+][C@H]2CC23CC3)CC1 ZINC000335250299 384680227 /nfs/dbraw/zinc/68/02/27/384680227.db2.gz UZFRQYVFIBQMGN-LBPRGKRZSA-N 2 1 206.333 1.755 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300364878 384697875 /nfs/dbraw/zinc/69/78/75/384697875.db2.gz HWPDECDKAHVVJU-MROQNXINSA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335918562 384699723 /nfs/dbraw/zinc/69/97/23/384699723.db2.gz ZLPHDWKELSQZAS-STQMWFEESA-N 2 1 226.364 1.175 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000647545754 384727409 /nfs/dbraw/zinc/72/74/09/384727409.db2.gz MHNPNSOBVQQDTK-STQMWFEESA-N 2 1 248.374 1.242 20 0 BDADMP CCC[C@]1(C)CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357077044 384777774 /nfs/dbraw/zinc/77/77/74/384777774.db2.gz JGRAJRQXQYVFIM-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP Nc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cn1 ZINC000647546166 384729393 /nfs/dbraw/zinc/72/93/93/384729393.db2.gz BYGXSTWRQKFEQU-CYBMUJFWSA-N 2 1 248.374 1.491 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(N)nc1 ZINC000647546207 384730869 /nfs/dbraw/zinc/73/08/69/384730869.db2.gz FPOQLVFNKKXPSU-UHFFFAOYSA-N 2 1 222.336 1.101 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546953 384734778 /nfs/dbraw/zinc/73/47/78/384734778.db2.gz IBTYYRQRJIWPCC-VJTDZRGJSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000647547048 384738003 /nfs/dbraw/zinc/73/80/03/384738003.db2.gz LXTGMCMRJUYYLJ-AVGNSLFASA-N 3 1 225.380 1.106 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647550201 384747517 /nfs/dbraw/zinc/74/75/17/384747517.db2.gz FMCYYLXIQNKVGC-QWHCGFSZSA-N 2 1 242.407 1.763 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)n1 ZINC000647551310 384755054 /nfs/dbraw/zinc/75/50/54/384755054.db2.gz GNEKNJOZTXFLBA-FZMZJTMJSA-N 2 1 233.359 1.520 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000309973283 384755276 /nfs/dbraw/zinc/75/52/76/384755276.db2.gz OZOZBQDMHFRDRQ-HNNXBMFYSA-N 2 1 248.370 1.874 20 0 BDADMP COc1c(O)cccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000647552078 384757690 /nfs/dbraw/zinc/75/76/90/384757690.db2.gz FGMOHTAKENMSRP-UWVGGRQHSA-N 2 1 238.331 1.616 20 0 BDADMP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000423358594 384832130 /nfs/dbraw/zinc/83/21/30/384832130.db2.gz BWUNWJBSYKKCDH-GARJFASQSA-N 2 1 234.347 1.415 20 0 BDADMP C[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398184702 384833415 /nfs/dbraw/zinc/83/34/15/384833415.db2.gz ILEDWMWURYAKEZ-VNHYZAJKSA-N 2 1 247.386 1.586 20 0 BDADMP COC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000234786700 384836094 /nfs/dbraw/zinc/83/60/94/384836094.db2.gz KPZQSSCSJJFETA-AWEZNQCLSA-N 2 1 240.391 1.735 20 0 BDADMP CCC1([NH2+]C2CC[NH+](C)CC2)CCOCC1 ZINC000310017687 384796115 /nfs/dbraw/zinc/79/61/15/384796115.db2.gz LOROQLHCPHYUBX-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403530095 384809767 /nfs/dbraw/zinc/80/97/67/384809767.db2.gz NVSKWQQWJTYPIJ-LBELIVKGSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403530095 384809772 /nfs/dbraw/zinc/80/97/72/384809772.db2.gz NVSKWQQWJTYPIJ-LBELIVKGSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH3+] ZINC000398220688 384851260 /nfs/dbraw/zinc/85/12/60/384851260.db2.gz WBSQUPZULSSWSX-DZGCQCFKSA-N 2 1 247.386 1.445 20 0 BDADMP CSCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061938 384857465 /nfs/dbraw/zinc/85/74/65/384857465.db2.gz VBHXDZSOMXARSU-MNOVXSKESA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061938 384857469 /nfs/dbraw/zinc/85/74/69/384857469.db2.gz VBHXDZSOMXARSU-MNOVXSKESA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061938 384857476 /nfs/dbraw/zinc/85/74/76/384857476.db2.gz VBHXDZSOMXARSU-MNOVXSKESA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061938 384857482 /nfs/dbraw/zinc/85/74/82/384857482.db2.gz VBHXDZSOMXARSU-MNOVXSKESA-N 2 1 216.394 1.764 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000086403761 384867969 /nfs/dbraw/zinc/86/79/69/384867969.db2.gz POWJVUFHJJXYND-GRYCIOLGSA-N 2 1 223.364 1.083 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000086403761 384867975 /nfs/dbraw/zinc/86/79/75/384867975.db2.gz POWJVUFHJJXYND-GRYCIOLGSA-N 2 1 223.364 1.083 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336741743 384952314 /nfs/dbraw/zinc/95/23/14/384952314.db2.gz NLSXHWSYAZHCBI-XQQFMLRXSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340203823 384955129 /nfs/dbraw/zinc/95/51/29/384955129.db2.gz XQMVGLFANCUMMN-VHDGCEQUSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340203823 384955134 /nfs/dbraw/zinc/95/51/34/384955134.db2.gz XQMVGLFANCUMMN-VHDGCEQUSA-N 2 1 248.370 1.792 20 0 BDADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CC1 ZINC000644515699 384929371 /nfs/dbraw/zinc/92/93/71/384929371.db2.gz PINFBDVAVHHVMM-OAHLLOKOSA-N 2 1 248.370 1.479 20 0 BDADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CC1 ZINC000644515699 384929380 /nfs/dbraw/zinc/92/93/80/384929380.db2.gz PINFBDVAVHHVMM-OAHLLOKOSA-N 2 1 248.370 1.479 20 0 BDADMP CC[C@@H](O)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000644525338 384935679 /nfs/dbraw/zinc/93/56/79/384935679.db2.gz QSLRIZPQJDKLDW-CMPLNLGQSA-N 2 1 225.336 1.188 20 0 BDADMP CCOc1ccc(C[NH2+]CCC[NH2+]C)cc1F ZINC000258869194 384948584 /nfs/dbraw/zinc/94/85/84/384948584.db2.gz ZQSNQOQERKTYRM-UHFFFAOYSA-N 2 1 240.322 1.924 20 0 BDADMP Cc1c(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cnn1C ZINC000226304257 384969392 /nfs/dbraw/zinc/96/93/92/384969392.db2.gz IHDXSVACPUBTHX-GWCFXTLKSA-N 2 1 236.363 1.349 20 0 BDADMP Cc1cccc(NC(=O)C[C@@H](C)N[C@H](C)C[NH3+])c1 ZINC000569350132 384973138 /nfs/dbraw/zinc/97/31/38/384973138.db2.gz VCPXSWYJLDQQIN-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000569350132 384973144 /nfs/dbraw/zinc/97/31/44/384973144.db2.gz VCPXSWYJLDQQIN-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573138 384978550 /nfs/dbraw/zinc/97/85/50/384978550.db2.gz MYFXHJSYJWJEJK-GASCZTMLSA-N 2 1 230.355 1.955 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccns1)C2 ZINC000404456064 385002654 /nfs/dbraw/zinc/00/26/54/385002654.db2.gz VRRAIGNLDYLJAQ-JQWIXIFHSA-N 2 1 237.372 1.704 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccns1)C2 ZINC000404456064 385002666 /nfs/dbraw/zinc/00/26/66/385002666.db2.gz VRRAIGNLDYLJAQ-JQWIXIFHSA-N 2 1 237.372 1.704 20 0 BDADMP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000306535357 385060316 /nfs/dbraw/zinc/06/03/16/385060316.db2.gz JVGQAPFWAOISCP-MNOVXSKESA-N 2 1 214.378 1.564 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)O ZINC000340501500 385080227 /nfs/dbraw/zinc/08/02/27/385080227.db2.gz IUUAQBWYFUKVLD-WOPDTQHZSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)O ZINC000340501500 385080235 /nfs/dbraw/zinc/08/02/35/385080235.db2.gz IUUAQBWYFUKVLD-WOPDTQHZSA-N 2 1 228.380 1.608 20 0 BDADMP Cc1ccncc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000129171012 385115966 /nfs/dbraw/zinc/11/59/66/385115966.db2.gz YZUGOYLEGWHHOY-GFCCVEGCSA-N 2 1 221.348 1.992 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227365193 385122180 /nfs/dbraw/zinc/12/21/80/385122180.db2.gz ZJKQFXOQAWCRJJ-HZMBPMFUSA-N 2 1 249.358 1.568 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000227374905 385123827 /nfs/dbraw/zinc/12/38/27/385123827.db2.gz AGZNLTBKAXDPRZ-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP C(C1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227374905 385123832 /nfs/dbraw/zinc/12/38/32/385123832.db2.gz AGZNLTBKAXDPRZ-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP C(C1CC[NH2+]CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227374905 385123835 /nfs/dbraw/zinc/12/38/35/385123835.db2.gz AGZNLTBKAXDPRZ-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000168122749 385127011 /nfs/dbraw/zinc/12/70/11/385127011.db2.gz MBCSGCSPYPEJHA-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000168122749 385127015 /nfs/dbraw/zinc/12/70/15/385127015.db2.gz MBCSGCSPYPEJHA-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H](C)O ZINC000644669255 385085639 /nfs/dbraw/zinc/08/56/39/385085639.db2.gz OJPWQOCIMXHOCR-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000227451884 385140556 /nfs/dbraw/zinc/14/05/56/385140556.db2.gz YOQVYSIBRKWZDV-RYUDHWBXSA-N 2 1 249.358 1.655 20 0 BDADMP CC[C@@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000304698537 385140985 /nfs/dbraw/zinc/14/09/85/385140985.db2.gz IYGOUYCMJSWVCA-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)s1 ZINC000404844693 385102587 /nfs/dbraw/zinc/10/25/87/385102587.db2.gz CYMSZFUPDHJZTE-ZJUUUORDSA-N 2 1 225.361 1.667 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CCCN1CCCCC1 ZINC000310522362 385105185 /nfs/dbraw/zinc/10/51/85/385105185.db2.gz MHVFIRBDLKGQGO-CQSZACIVSA-N 2 1 241.423 1.970 20 0 BDADMP CCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308807419 385184163 /nfs/dbraw/zinc/18/41/63/385184163.db2.gz ANNALQCFYZNTEC-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@@H](C)C1 ZINC000424320050 385160591 /nfs/dbraw/zinc/16/05/91/385160591.db2.gz IPTCDMJSBDZZMZ-SDDRHHMPSA-N 2 1 208.349 1.859 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCC1 ZINC000177987409 385163944 /nfs/dbraw/zinc/16/39/44/385163944.db2.gz AUXBSXSKUWPZEO-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP OC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000342810205 385168060 /nfs/dbraw/zinc/16/80/60/385168060.db2.gz PGYOZXJGQZOJOC-CHWSQXEVSA-N 2 1 238.375 1.508 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000161505500 385174107 /nfs/dbraw/zinc/17/41/07/385174107.db2.gz QQJHPEWJSKTBDW-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H](C[NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000308845673 385208244 /nfs/dbraw/zinc/20/82/44/385208244.db2.gz AAXRMBQSYBIXCJ-GFCCVEGCSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](CO)c1ccccc1 ZINC000235124612 385209023 /nfs/dbraw/zinc/20/90/23/385209023.db2.gz BIKPSKVNYQBRLS-AEGPPILISA-N 2 1 248.370 1.840 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC000252714057 385221300 /nfs/dbraw/zinc/22/13/00/385221300.db2.gz QXFSWXYKJWRIFG-DZGCQCFKSA-N 2 1 248.370 1.995 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000052173124 385224984 /nfs/dbraw/zinc/22/49/84/385224984.db2.gz RLCCUHPOBSJENK-GFCCVEGCSA-N 2 1 212.337 1.084 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@](C)(O)c2ccco2)CC1 ZINC000177375037 385231715 /nfs/dbraw/zinc/23/17/15/385231715.db2.gz OGSOXGOXWLDGJF-ZDUSSCGKSA-N 2 1 238.331 1.171 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@H](C)[NH2+]C2CC2)n1 ZINC000564958927 385244905 /nfs/dbraw/zinc/24/49/05/385244905.db2.gz PKWRLJYMAGYLJB-SFYZADRCSA-N 2 1 224.308 1.033 20 0 BDADMP C[N@@H+](CCCn1ccnc1)Cc1ccnc(N)c1 ZINC000191601774 385308150 /nfs/dbraw/zinc/30/81/50/385308150.db2.gz MKCJMZRKDJXMNQ-UHFFFAOYSA-N 2 1 245.330 1.382 20 0 BDADMP Cc1nn(C)cc1[C@H](C)NC[C@@H]1CCC[N@@H+]1C ZINC000178650568 385311497 /nfs/dbraw/zinc/31/14/97/385311497.db2.gz PSRNUIWOKANYRK-JQWIXIFHSA-N 2 1 236.363 1.473 20 0 BDADMP COCC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316500507 385295740 /nfs/dbraw/zinc/29/57/40/385295740.db2.gz ZHIXQJYRQGDNID-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316500507 385295745 /nfs/dbraw/zinc/29/57/45/385295745.db2.gz ZHIXQJYRQGDNID-DCAQKATOSA-N 2 1 200.326 1.081 20 0 BDADMP CC[N@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000154547820 385336539 /nfs/dbraw/zinc/33/65/39/385336539.db2.gz JOZOLLDQHBAEDZ-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@@H](NC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000154547820 385336541 /nfs/dbraw/zinc/33/65/41/385336541.db2.gz JOZOLLDQHBAEDZ-HZSPNIEDSA-N 2 1 239.407 1.401 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+]C[C@@H]2C)c1 ZINC000158064947 385338102 /nfs/dbraw/zinc/33/81/02/385338102.db2.gz RBZLLMHEDNMCMV-NSHDSACASA-N 2 1 235.331 1.192 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000180194278 385384952 /nfs/dbraw/zinc/38/49/52/385384952.db2.gz DENKZZUOTMJVRW-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP CSC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308973299 385327746 /nfs/dbraw/zinc/32/77/46/385327746.db2.gz HJUHEAJHNCTIOC-JTQLQIEISA-N 2 1 228.405 1.954 20 0 BDADMP CSC1(C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000309082180 385401073 /nfs/dbraw/zinc/40/10/73/385401073.db2.gz RHJXHAZOALTOTH-UHFFFAOYSA-N 2 1 226.389 1.734 20 0 BDADMP CCN(C)c1ccc(C[N@H+](C)CCC[NH3+])cn1 ZINC000647497008 385404551 /nfs/dbraw/zinc/40/45/51/385404551.db2.gz PCTBHFAZOQTKQE-UHFFFAOYSA-N 2 1 236.363 1.318 20 0 BDADMP CCN(C)c1ccc(C[N@@H+](C)CCC[NH3+])cn1 ZINC000647497008 385404554 /nfs/dbraw/zinc/40/45/54/385404554.db2.gz PCTBHFAZOQTKQE-UHFFFAOYSA-N 2 1 236.363 1.318 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cnc2ccccn12 ZINC000647497797 385408014 /nfs/dbraw/zinc/40/80/14/385408014.db2.gz WAEAKSJCIGDEJO-UHFFFAOYSA-N 2 1 218.304 1.115 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cnc2ccccn12 ZINC000647497797 385408018 /nfs/dbraw/zinc/40/80/18/385408018.db2.gz WAEAKSJCIGDEJO-UHFFFAOYSA-N 2 1 218.304 1.115 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2c(C)n[nH]c2C)CC[C@H]1[NH3+] ZINC000647498209 385415420 /nfs/dbraw/zinc/41/54/20/385415420.db2.gz CPAZUZDFDUGZEU-WCQYABFASA-N 2 1 236.363 1.586 20 0 BDADMP CO[C@H](C)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000182332162 385438682 /nfs/dbraw/zinc/43/86/82/385438682.db2.gz QLZFFBTULNARHI-LLVKDONJSA-N 2 1 214.353 1.484 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000194950128 385453678 /nfs/dbraw/zinc/45/36/78/385453678.db2.gz ZUHIRCTYPOUTSQ-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](C)OC)CC1 ZINC000182212395 385433128 /nfs/dbraw/zinc/43/31/28/385433128.db2.gz JRSNAEKYGNZJAQ-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000161711846 385481341 /nfs/dbraw/zinc/48/13/41/385481341.db2.gz VULVPFOTTLWLPB-ZYHUDNBSSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000309208355 385482203 /nfs/dbraw/zinc/48/22/03/385482203.db2.gz BKPLUFQNOFNRMJ-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000309208355 385482204 /nfs/dbraw/zinc/48/22/04/385482204.db2.gz BKPLUFQNOFNRMJ-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000309208355 385482205 /nfs/dbraw/zinc/48/22/05/385482205.db2.gz BKPLUFQNOFNRMJ-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309208355 385482206 /nfs/dbraw/zinc/48/22/06/385482206.db2.gz BKPLUFQNOFNRMJ-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CCC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309291134 385513370 /nfs/dbraw/zinc/51/33/70/385513370.db2.gz VUMDRGJRQJFBFN-CYBMUJFWSA-N 2 1 226.364 1.364 20 0 BDADMP Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc(C)[nH+]1 ZINC000643033776 385535355 /nfs/dbraw/zinc/53/53/55/385535355.db2.gz PWBQNKMZSXLAAC-RYUDHWBXSA-N 2 1 232.331 1.282 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000309333886 385535575 /nfs/dbraw/zinc/53/55/75/385535575.db2.gz JSBCADISTXRFTC-YVECIDJPSA-N 2 1 228.380 1.730 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000309333880 385535967 /nfs/dbraw/zinc/53/59/67/385535967.db2.gz JSBCADISTXRFTC-FDYHWXHSSA-N 2 1 228.380 1.730 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000309405880 385572569 /nfs/dbraw/zinc/57/25/69/385572569.db2.gz JPQJUABNSPOYGW-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000309405880 385572571 /nfs/dbraw/zinc/57/25/71/385572571.db2.gz JPQJUABNSPOYGW-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000309405880 385572573 /nfs/dbraw/zinc/57/25/73/385572573.db2.gz JPQJUABNSPOYGW-ZDUSSCGKSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000309429740 385578944 /nfs/dbraw/zinc/57/89/44/385578944.db2.gz MGKMDBBHCLSRBF-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000309429740 385578946 /nfs/dbraw/zinc/57/89/46/385578946.db2.gz MGKMDBBHCLSRBF-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000309429740 385578949 /nfs/dbraw/zinc/57/89/49/385578949.db2.gz MGKMDBBHCLSRBF-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309429740 385578953 /nfs/dbraw/zinc/57/89/53/385578953.db2.gz MGKMDBBHCLSRBF-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP CCCC[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309444885 385583163 /nfs/dbraw/zinc/58/31/63/385583163.db2.gz OWHOQLSJRAGYTA-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000309444885 385583164 /nfs/dbraw/zinc/58/31/64/385583164.db2.gz OWHOQLSJRAGYTA-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309444885 385583165 /nfs/dbraw/zinc/58/31/65/385583165.db2.gz OWHOQLSJRAGYTA-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309444885 385583167 /nfs/dbraw/zinc/58/31/67/385583167.db2.gz OWHOQLSJRAGYTA-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000336677713 385611297 /nfs/dbraw/zinc/61/12/97/385611297.db2.gz QGYAWMPBCJDWMX-STQMWFEESA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+](CC[NH3+])CCCOCc1ccccc1 ZINC000307221627 385644972 /nfs/dbraw/zinc/64/49/72/385644972.db2.gz PWONJMSJVIUEJI-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP CC[N@@H+](CC[NH3+])CCCOCc1ccccc1 ZINC000307221627 385644977 /nfs/dbraw/zinc/64/49/77/385644977.db2.gz PWONJMSJVIUEJI-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP Cc1ccc(CCC[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000414851043 385646869 /nfs/dbraw/zinc/64/68/69/385646869.db2.gz SVOCEFCNTWMANS-CQSZACIVSA-N 2 1 233.359 1.664 20 0 BDADMP CC(C)CCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336685320 385687070 /nfs/dbraw/zinc/68/70/70/385687070.db2.gz FWBFWOSNBREINX-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336685320 385687074 /nfs/dbraw/zinc/68/70/74/385687074.db2.gz FWBFWOSNBREINX-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336685404 385691727 /nfs/dbraw/zinc/69/17/27/385691727.db2.gz UDIFBPHYQAVZLN-AGIUHOORSA-N 2 1 228.380 1.181 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414855126 385698889 /nfs/dbraw/zinc/69/88/89/385698889.db2.gz WHEALRPBFKISBH-MJBXVCDLSA-N 3 1 241.423 1.742 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000414851822 385666686 /nfs/dbraw/zinc/66/66/86/385666686.db2.gz VFMZKFZZWGPJIP-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336734380 385667102 /nfs/dbraw/zinc/66/71/02/385667102.db2.gz KWFXWXMJGSRBQV-AVGNSLFASA-N 2 1 228.380 1.610 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc2c(C)cccn12 ZINC000414857463 385729896 /nfs/dbraw/zinc/72/98/96/385729896.db2.gz DNQYDGZGOQOYNZ-UHFFFAOYSA-N 2 1 232.331 1.342 20 0 BDADMP CCN(C)c1ccc(C[NH2+]CCC[NH2+]C)cn1 ZINC000414859427 385740603 /nfs/dbraw/zinc/74/06/03/385740603.db2.gz MVSPHORFEAUIAQ-UHFFFAOYSA-N 2 1 236.363 1.237 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]CC[C@H]1CCOC1 ZINC000309652156 385770440 /nfs/dbraw/zinc/77/04/40/385770440.db2.gz OMQPWXXWXCLRQH-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309665075 385776266 /nfs/dbraw/zinc/77/62/66/385776266.db2.gz SXJQCWPLRJPNCF-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000336711239 385800887 /nfs/dbraw/zinc/80/08/87/385800887.db2.gz PQPMZUYIONZPMC-CHWSQXEVSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000334460456 385825805 /nfs/dbraw/zinc/82/58/05/385825805.db2.gz USOLUWKFGVRXRT-VXGBXAGGSA-N 2 1 236.363 1.301 20 0 BDADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000414954778 385829532 /nfs/dbraw/zinc/82/95/32/385829532.db2.gz KWAQZSLNWXVIPT-UPJWGTAASA-N 2 1 227.396 1.304 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000647802885 385836376 /nfs/dbraw/zinc/83/63/76/385836376.db2.gz WTBKHNKUKUJXKP-CYBMUJFWSA-N 2 1 242.326 1.576 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473647 385839561 /nfs/dbraw/zinc/83/95/61/385839561.db2.gz POBWIWIYIVEXOM-QJPTWQEYSA-N 2 1 228.405 1.799 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000336707095 385792507 /nfs/dbraw/zinc/79/25/07/385792507.db2.gz RQNLHBWNTRNUCV-NWDGAFQWSA-N 3 1 215.385 1.434 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000336707095 385792510 /nfs/dbraw/zinc/79/25/10/385792510.db2.gz RQNLHBWNTRNUCV-NWDGAFQWSA-N 3 1 215.385 1.434 20 0 BDADMP CC[C@H](C)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000093075321 385884691 /nfs/dbraw/zinc/88/46/91/385884691.db2.gz PVYPFAXYTNUMDJ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1cc(N2CC[C@H]([NH+](C)C)[C@@H]2C)nc(C)[nH+]1 ZINC000647843710 385892832 /nfs/dbraw/zinc/89/28/32/385892832.db2.gz BTABJIHHFYUQEQ-JQWIXIFHSA-N 2 1 234.347 1.622 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000336721743 385907066 /nfs/dbraw/zinc/90/70/66/385907066.db2.gz AAGNSYZVLWWVEK-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000336721743 385907073 /nfs/dbraw/zinc/90/70/73/385907073.db2.gz AAGNSYZVLWWVEK-LBPRGKRZSA-N 2 1 240.372 1.213 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000342111824 385929875 /nfs/dbraw/zinc/92/98/75/385929875.db2.gz ULFYBGVJJHNSRA-SRVKXCTJSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000342111824 385929880 /nfs/dbraw/zinc/92/98/80/385929880.db2.gz ULFYBGVJJHNSRA-SRVKXCTJSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000414966846 385924141 /nfs/dbraw/zinc/92/41/41/385924141.db2.gz APVSOZJKQBNTSG-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+](C)C ZINC000338209148 385925648 /nfs/dbraw/zinc/92/56/48/385925648.db2.gz ZYFABLHBOXAQHC-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(C)(C)CC1)C1CC1 ZINC000336719674 385860963 /nfs/dbraw/zinc/86/09/63/385860963.db2.gz RPLPCNCEAJRLDK-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C)(C)CC1)C1CC1 ZINC000336719674 385860966 /nfs/dbraw/zinc/86/09/66/385860966.db2.gz RPLPCNCEAJRLDK-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340472026 385866948 /nfs/dbraw/zinc/86/69/48/385866948.db2.gz ZDTDFVSDEWMYPO-DGCLKSJQSA-N 2 1 237.347 1.739 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647814501 385868537 /nfs/dbraw/zinc/86/85/37/385868537.db2.gz QVKJFKOUHOARHJ-CYBMUJFWSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647814501 385868545 /nfs/dbraw/zinc/86/85/45/385868545.db2.gz QVKJFKOUHOARHJ-CYBMUJFWSA-N 3 1 225.380 1.189 20 0 BDADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000647815321 385869262 /nfs/dbraw/zinc/86/92/62/385869262.db2.gz ZIOLNLNRHNKAPC-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP COC(C)(C)[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000340191435 385869395 /nfs/dbraw/zinc/86/93/95/385869395.db2.gz PXGJKUUBRCMEEL-NSHDSACASA-N 2 1 239.363 1.985 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)C2CC2)C1 ZINC000425417306 385992367 /nfs/dbraw/zinc/99/23/67/385992367.db2.gz HKGOQSWKQQNBCI-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](OC)C2CC2)C1 ZINC000425417306 385992375 /nfs/dbraw/zinc/99/23/75/385992375.db2.gz HKGOQSWKQQNBCI-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000425417306 385992379 /nfs/dbraw/zinc/99/23/79/385992379.db2.gz HKGOQSWKQQNBCI-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878092 385930966 /nfs/dbraw/zinc/93/09/66/385930966.db2.gz NICLQVRXMNIFCH-JSGCOSHPSA-N 2 1 249.358 1.328 20 0 BDADMP COc1ccncc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000311017040 385939016 /nfs/dbraw/zinc/93/90/16/385939016.db2.gz NFQDJGYETHHIGC-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccnc1 ZINC000342177789 385939571 /nfs/dbraw/zinc/93/95/71/385939571.db2.gz WVDRHEJQTSMILW-JTQLQIEISA-N 2 1 205.305 1.614 20 0 BDADMP CC[C@H]1C[N@@H+](CCC[NH+](CC)CC)C[C@H]1O ZINC000338281812 385945719 /nfs/dbraw/zinc/94/57/19/385945719.db2.gz UUERCYVASRXGTR-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000338304869 385953616 /nfs/dbraw/zinc/95/36/16/385953616.db2.gz PWNPPOMHRFFMGI-BFHYXJOUSA-N 2 1 240.391 1.421 20 0 BDADMP C1CCC([N@H+]2CC[C@H](NC3CC[NH2+]CC3)C2)C1 ZINC000335055976 385956378 /nfs/dbraw/zinc/95/63/78/385956378.db2.gz TZOWCDVXEOVSGY-ZDUSSCGKSA-N 2 1 237.391 1.345 20 0 BDADMP CCc1noc(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647924712 385957427 /nfs/dbraw/zinc/95/74/27/385957427.db2.gz FCTGXZNXPJSTTC-UHFFFAOYSA-N 2 1 237.347 1.859 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](O)(CC)C1 ZINC000338326537 385959112 /nfs/dbraw/zinc/95/91/12/385959112.db2.gz ZWYKXIJERRAEEA-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CC[NH+](CC)CCC[NH+]1CCC(O)(CC)CC1 ZINC000338310080 385964334 /nfs/dbraw/zinc/96/43/34/385964334.db2.gz YQTCXHCLFDWNAV-UHFFFAOYSA-N 2 1 242.407 1.955 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000414970866 385966552 /nfs/dbraw/zinc/96/65/52/385966552.db2.gz HEMOWCAADGYDQJ-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CCC(C)(C)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647864588 385969482 /nfs/dbraw/zinc/96/94/82/385969482.db2.gz XSHTWVVZMKKXPK-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP CCC(C)(C)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647864588 385969486 /nfs/dbraw/zinc/96/94/86/385969486.db2.gz XSHTWVVZMKKXPK-RYUDHWBXSA-N 2 1 228.380 1.861 20 0 BDADMP C1CC2(C1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCO[C@H]12 ZINC000414881773 385997438 /nfs/dbraw/zinc/99/74/38/385997438.db2.gz AUYOGBHKKWYXRT-WUHRBBMRSA-N 2 1 236.359 1.286 20 0 BDADMP C1CC2(C1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCO[C@@H]12 ZINC000414881759 385997708 /nfs/dbraw/zinc/99/77/08/385997708.db2.gz AUYOGBHKKWYXRT-LOWDOPEQSA-N 2 1 236.359 1.286 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976192 386015685 /nfs/dbraw/zinc/01/56/85/386015685.db2.gz NPXHEVPGTVNVLR-HZSPNIEDSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000414169568 386016306 /nfs/dbraw/zinc/01/63/06/386016306.db2.gz BHCZEOUWFFXTTN-RYUDHWBXSA-N 2 1 236.363 1.792 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(Cc2c[nH]cn2)C[C@@H]1C ZINC000334434042 386056373 /nfs/dbraw/zinc/05/63/73/386056373.db2.gz NGTODAYPTAZGNH-WDEREUQCSA-N 2 1 222.336 1.324 20 0 BDADMP CC[N@@H+]1C[C@@H](C)N(Cc2cnc[nH]2)C[C@@H]1C ZINC000334434042 386056380 /nfs/dbraw/zinc/05/63/80/386056380.db2.gz NGTODAYPTAZGNH-WDEREUQCSA-N 2 1 222.336 1.324 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(Cc2cnc[nH]2)C[C@@H]1C ZINC000334434042 386056388 /nfs/dbraw/zinc/05/63/88/386056388.db2.gz NGTODAYPTAZGNH-WDEREUQCSA-N 2 1 222.336 1.324 20 0 BDADMP Cc1ncc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)o1 ZINC000414187196 386027445 /nfs/dbraw/zinc/02/74/45/386027445.db2.gz QGGJLFHCBYSNSD-MGPQQGTHSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)o1 ZINC000414187196 386027450 /nfs/dbraw/zinc/02/74/50/386027450.db2.gz QGGJLFHCBYSNSD-MGPQQGTHSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)o1 ZINC000414187196 386027453 /nfs/dbraw/zinc/02/74/53/386027453.db2.gz QGGJLFHCBYSNSD-MGPQQGTHSA-N 2 1 249.358 1.945 20 0 BDADMP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414883576 386030431 /nfs/dbraw/zinc/03/04/31/386030431.db2.gz NLTIAEXAZDQHQW-KGLIPLIRSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1CCOC1 ZINC000222066154 386034856 /nfs/dbraw/zinc/03/48/56/386034856.db2.gz UCDZBGWVSQTCPX-CYZMBNFOSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414977786 386038116 /nfs/dbraw/zinc/03/81/16/386038116.db2.gz KXTUXAUWKUKBET-CYBMUJFWSA-N 2 1 244.342 1.699 20 0 BDADMP COCC[C@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414202717 386040098 /nfs/dbraw/zinc/04/00/98/386040098.db2.gz DIZRQGACYBXHPD-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414978918 386049497 /nfs/dbraw/zinc/04/94/97/386049497.db2.gz STRHOQXYAPZGPZ-ZIAGYGMSSA-N 2 1 241.423 1.694 20 0 BDADMP CC[N@H+]1C[C@H](C)N(Cc2c[nH]cn2)C[C@H]1C ZINC000334434040 386055491 /nfs/dbraw/zinc/05/54/91/386055491.db2.gz NGTODAYPTAZGNH-MNOVXSKESA-N 2 1 222.336 1.324 20 0 BDADMP CC[N@@H+]1C[C@H](C)N(Cc2cnc[nH]2)C[C@H]1C ZINC000334434040 386055494 /nfs/dbraw/zinc/05/54/94/386055494.db2.gz NGTODAYPTAZGNH-MNOVXSKESA-N 2 1 222.336 1.324 20 0 BDADMP CC[N@H+]1C[C@H](C)N(Cc2cnc[nH]2)C[C@H]1C ZINC000334434040 386055499 /nfs/dbraw/zinc/05/54/99/386055499.db2.gz NGTODAYPTAZGNH-MNOVXSKESA-N 2 1 222.336 1.324 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000054133397 386109502 /nfs/dbraw/zinc/10/95/02/386109502.db2.gz QKFJKASCUZWUNX-CYBMUJFWSA-N 2 1 249.358 1.143 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414666730 386111623 /nfs/dbraw/zinc/11/16/23/386111623.db2.gz XFCZHWSMNZFQTK-XQHKEYJVSA-N 3 1 225.380 1.044 20 0 BDADMP Cc1ccnc(N(C)CC[N@@H+](C)C2CC2)c1 ZINC000274526566 386114771 /nfs/dbraw/zinc/11/47/71/386114771.db2.gz XTLDYSZGEANSQP-UHFFFAOYSA-N 2 1 219.332 1.920 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648777 386065047 /nfs/dbraw/zinc/06/50/47/386065047.db2.gz BKOGQHNLHCOEAR-XJFOESAGSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414648777 386065052 /nfs/dbraw/zinc/06/50/52/386065052.db2.gz BKOGQHNLHCOEAR-XJFOESAGSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C ZINC000608088724 386068890 /nfs/dbraw/zinc/06/88/90/386068890.db2.gz ONEVBXCOTUMVEA-UWVGGRQHSA-N 2 1 245.330 1.853 20 0 BDADMP C[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1C ZINC000608088724 386068900 /nfs/dbraw/zinc/06/89/00/386068900.db2.gz ONEVBXCOTUMVEA-UWVGGRQHSA-N 2 1 245.330 1.853 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C[NH3+])CC1 ZINC000414651100 386071046 /nfs/dbraw/zinc/07/10/46/386071046.db2.gz DZTHQEMMLXQHET-GFCCVEGCSA-N 3 1 213.369 1.031 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000340240647 386072624 /nfs/dbraw/zinc/07/26/24/386072624.db2.gz VVWKQBKPCIMZQL-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652655 386074935 /nfs/dbraw/zinc/07/49/35/386074935.db2.gz DQNVBGDMMDFUER-DGAVXFQQSA-N 3 1 237.391 1.201 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652655 386074939 /nfs/dbraw/zinc/07/49/39/386074939.db2.gz DQNVBGDMMDFUER-DGAVXFQQSA-N 3 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652660 386075029 /nfs/dbraw/zinc/07/50/29/386075029.db2.gz DQNVBGDMMDFUER-SYQHCUMBSA-N 3 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000414652660 386075037 /nfs/dbraw/zinc/07/50/37/386075037.db2.gz DQNVBGDMMDFUER-SYQHCUMBSA-N 3 1 237.391 1.201 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414657333 386086219 /nfs/dbraw/zinc/08/62/19/386086219.db2.gz HQLPRJHTQKPQBF-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000414663325 386096713 /nfs/dbraw/zinc/09/67/13/386096713.db2.gz REEHECCYABFRJY-NEPJUHHUSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+](C)CC(C)(C)CN)CC[NH2+]1 ZINC000414663325 386096720 /nfs/dbraw/zinc/09/67/20/386096720.db2.gz REEHECCYABFRJY-NEPJUHHUSA-N 2 1 227.396 1.291 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(C)(C)CN)CC[NH2+]1 ZINC000414663325 386096724 /nfs/dbraw/zinc/09/67/24/386096724.db2.gz REEHECCYABFRJY-NEPJUHHUSA-N 2 1 227.396 1.291 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414662390 386099642 /nfs/dbraw/zinc/09/96/42/386099642.db2.gz QAZJXZJSRPKKFN-MCIONIFRSA-N 3 1 241.423 1.680 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414673858 386145948 /nfs/dbraw/zinc/14/59/48/386145948.db2.gz CZLBAFWGFWMELO-SRVKXCTJSA-N 2 1 240.347 1.012 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000414676375 386150589 /nfs/dbraw/zinc/15/05/89/386150589.db2.gz NEZXYDIWUDHEQX-OLZOCXBDSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000414675694 386154373 /nfs/dbraw/zinc/15/43/73/386154373.db2.gz RGYUSMPTSWLZNS-FDYHWXHSSA-N 2 1 225.380 1.057 20 0 BDADMP COc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414893137 386157504 /nfs/dbraw/zinc/15/75/04/386157504.db2.gz XUOZLXVCMGNDQP-UHFFFAOYSA-N 2 1 220.316 1.666 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414681579 386164963 /nfs/dbraw/zinc/16/49/63/386164963.db2.gz PMNUNKUQHNOXFW-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP CCc1nc(N[C@H]2CCC[NH2+]CC2)cc(C)[nH+]1 ZINC000310276031 386173048 /nfs/dbraw/zinc/17/30/48/386173048.db2.gz TVSIMKVXETVPSQ-NSHDSACASA-N 2 1 234.347 1.901 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+]C[C@H]([NH3+])C3CC3)cc12 ZINC000414894961 386178929 /nfs/dbraw/zinc/17/89/29/386178929.db2.gz MEDUIQREKVJDPV-LBPRGKRZSA-N 2 1 245.330 1.093 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cn[nH]c1 ZINC000275173437 386187742 /nfs/dbraw/zinc/18/77/42/386187742.db2.gz LMWIKOYEVIXYPP-LLVKDONJSA-N 2 1 222.336 1.546 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000414697636 386201835 /nfs/dbraw/zinc/20/18/35/386201835.db2.gz CJTKEZWTOYSOME-HZSPNIEDSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000414697636 386201840 /nfs/dbraw/zinc/20/18/40/386201840.db2.gz CJTKEZWTOYSOME-HZSPNIEDSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414704123 386213712 /nfs/dbraw/zinc/21/37/12/386213712.db2.gz JJCHJLRXZOYJGI-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@H](CCO)c1ccccc1 ZINC000414703690 386214424 /nfs/dbraw/zinc/21/44/24/386214424.db2.gz MPVJUGPCYDQBBW-CYBMUJFWSA-N 2 1 222.332 1.391 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414709763 386224555 /nfs/dbraw/zinc/22/45/55/386224555.db2.gz RSYWBFLFOLDZAF-IJLUTSLNSA-N 2 1 242.363 1.115 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347038902 386225520 /nfs/dbraw/zinc/22/55/20/386225520.db2.gz IYWPGSUJJUDAEK-OCCSQVGLSA-N 2 1 240.391 1.720 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000414713011 386229966 /nfs/dbraw/zinc/22/99/66/386229966.db2.gz VCTCVEXDXCKAIY-AWEZNQCLSA-N 2 1 233.359 1.912 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000414712234 386230163 /nfs/dbraw/zinc/23/01/63/386230163.db2.gz NLWURXDSBDBKEV-ZIAGYGMSSA-N 2 1 241.423 1.632 20 0 BDADMP CCC[C@@](C)(CO)[NH2+]CC[NH2+]C(C)(C)C ZINC000414712618 386231024 /nfs/dbraw/zinc/23/10/24/386231024.db2.gz SUBDTOZJVXUHCI-LBPRGKRZSA-N 2 1 216.369 1.515 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000347114101 386231252 /nfs/dbraw/zinc/23/12/52/386231252.db2.gz SDCDJROLUDYZCO-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)CCO1 ZINC000347114103 386231271 /nfs/dbraw/zinc/23/12/71/386231271.db2.gz SDCDJROLUDYZCO-YNEHKIRRSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccon2)CC[NH2+]1 ZINC000414717201 386240463 /nfs/dbraw/zinc/24/04/63/386240463.db2.gz XVPCDMSEZGUSQJ-QWRGUYRKSA-N 2 1 223.320 1.495 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H](C)O)C1 ZINC000336645524 386252820 /nfs/dbraw/zinc/25/28/20/386252820.db2.gz IBWQEJSMLWCNPN-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336645524 386252824 /nfs/dbraw/zinc/25/28/24/386252824.db2.gz IBWQEJSMLWCNPN-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336645524 386252827 /nfs/dbraw/zinc/25/28/27/386252827.db2.gz IBWQEJSMLWCNPN-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000647932890 386252963 /nfs/dbraw/zinc/25/29/63/386252963.db2.gz UEDKYQRJWZNXMD-SNVBAGLBSA-N 2 1 228.299 1.924 20 0 BDADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347147847 386261312 /nfs/dbraw/zinc/26/13/12/386261312.db2.gz YSCJKSTVAPSGMT-LBPRGKRZSA-N 2 1 233.359 1.533 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414694877 386194185 /nfs/dbraw/zinc/19/41/85/386194185.db2.gz GIPCKADZWOFQNN-RYUDHWBXSA-N 2 1 242.363 1.387 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414694877 386194189 /nfs/dbraw/zinc/19/41/89/386194189.db2.gz GIPCKADZWOFQNN-RYUDHWBXSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H](CO)C(C)(C)C)CC[NH2+]1 ZINC000414698589 386199400 /nfs/dbraw/zinc/19/94/00/386199400.db2.gz DFNABZFIMCPKBT-FRRDWIJNSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1csc(C(C)(C)[NH2+]CCC[NH3+])n1 ZINC000414698436 386200066 /nfs/dbraw/zinc/20/00/66/386200066.db2.gz DHMDXVYHGUAYFR-UHFFFAOYSA-N 2 1 213.350 1.625 20 0 BDADMP CC(C)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336664664 386287159 /nfs/dbraw/zinc/28/71/59/386287159.db2.gz FWISXNKOQPNORJ-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336664664 386287165 /nfs/dbraw/zinc/28/71/65/386287165.db2.gz FWISXNKOQPNORJ-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336664664 386287169 /nfs/dbraw/zinc/28/71/69/386287169.db2.gz FWISXNKOQPNORJ-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336664664 386287174 /nfs/dbraw/zinc/28/71/74/386287174.db2.gz FWISXNKOQPNORJ-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336664665 386288248 /nfs/dbraw/zinc/28/82/48/386288248.db2.gz FWISXNKOQPNORJ-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336664665 386288256 /nfs/dbraw/zinc/28/82/56/386288256.db2.gz FWISXNKOQPNORJ-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336664665 386288260 /nfs/dbraw/zinc/28/82/60/386288260.db2.gz FWISXNKOQPNORJ-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336664665 386288263 /nfs/dbraw/zinc/28/82/63/386288263.db2.gz FWISXNKOQPNORJ-JHJVBQTASA-N 2 1 228.380 1.418 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647885959 386291703 /nfs/dbraw/zinc/29/17/03/386291703.db2.gz VKNNCDMRGBXQDK-LBPRGKRZSA-N 2 1 228.380 1.469 20 0 BDADMP c1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000647988142 386294363 /nfs/dbraw/zinc/29/43/63/386294363.db2.gz UKMPTQBEBNZWTQ-LBPRGKRZSA-N 2 1 231.343 1.656 20 0 BDADMP c1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000647988142 386294367 /nfs/dbraw/zinc/29/43/67/386294367.db2.gz UKMPTQBEBNZWTQ-LBPRGKRZSA-N 2 1 231.343 1.656 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCC1CC[NH2+]CC1 ZINC000647988166 386294446 /nfs/dbraw/zinc/29/44/46/386294446.db2.gz YRYAAJNEKPAVGK-CYBMUJFWSA-N 3 1 241.423 1.729 20 0 BDADMP CC[C@](C)(CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336667801 386297112 /nfs/dbraw/zinc/29/71/12/386297112.db2.gz QLDYMXRDPYAJOP-CYBMUJFWSA-N 2 1 226.364 1.364 20 0 BDADMP CC(C)[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336668204 386297754 /nfs/dbraw/zinc/29/77/54/386297754.db2.gz RUVZQHYQSRDKED-OLZOCXBDSA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336668204 386297758 /nfs/dbraw/zinc/29/77/58/386297758.db2.gz RUVZQHYQSRDKED-OLZOCXBDSA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336668204 386297764 /nfs/dbraw/zinc/29/77/64/386297764.db2.gz RUVZQHYQSRDKED-OLZOCXBDSA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000414734435 386300407 /nfs/dbraw/zinc/30/04/07/386300407.db2.gz DWGLUNKDVXNYLK-IHRRRGAJSA-N 2 1 240.391 1.718 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000336197907 386315821 /nfs/dbraw/zinc/31/58/21/386315821.db2.gz RFNXHASTPNTHEE-STQMWFEESA-N 2 1 224.348 1.098 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)CC[NH2+]1 ZINC000414738238 386317022 /nfs/dbraw/zinc/31/70/22/386317022.db2.gz OZIVJDRQYZYFRZ-MGPQQGTHSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](CCO)C1CCC1 ZINC000414741658 386325309 /nfs/dbraw/zinc/32/53/09/386325309.db2.gz FKRBPAXSAOKSDX-NSHDSACASA-N 2 1 214.353 1.207 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000091996155 386319586 /nfs/dbraw/zinc/31/95/86/386319586.db2.gz UOXRDKKKQCSWLW-GFCCVEGCSA-N 2 1 249.358 1.656 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](CCO)C1CCC1 ZINC000414741658 386325316 /nfs/dbraw/zinc/32/53/16/386325316.db2.gz FKRBPAXSAOKSDX-NSHDSACASA-N 2 1 214.353 1.207 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000133637638 386339780 /nfs/dbraw/zinc/33/97/80/386339780.db2.gz VBMJHSMWFUVGNC-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000133637638 386339783 /nfs/dbraw/zinc/33/97/83/386339783.db2.gz VBMJHSMWFUVGNC-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000647888188 386340877 /nfs/dbraw/zinc/34/08/77/386340877.db2.gz YBGXHYDCAGNJES-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP CCn1nccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904435 386346124 /nfs/dbraw/zinc/34/61/24/386346124.db2.gz LJDBTQGZIXAGMG-LLVKDONJSA-N 2 1 222.336 1.135 20 0 BDADMP [NH3+]CC1CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC000335267498 386349111 /nfs/dbraw/zinc/34/91/11/386349111.db2.gz IMIZGINQKBORCD-BPCQOVAHSA-N 2 1 225.380 1.236 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CCCCCO)CC[NH2+]1 ZINC000414745582 386351422 /nfs/dbraw/zinc/35/14/22/386351422.db2.gz PMGALBBFCDOWLC-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP CC[C@@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414748369 386351922 /nfs/dbraw/zinc/35/19/22/386351922.db2.gz WMSZJUAFTFGPQP-OLZOCXBDSA-N 2 1 228.380 1.597 20 0 BDADMP CC[C@]1(CO)CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414747534 386355360 /nfs/dbraw/zinc/35/53/60/386355360.db2.gz URGWFLQCKCPTNI-CYBMUJFWSA-N 2 1 228.380 1.611 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414747534 386355365 /nfs/dbraw/zinc/35/53/65/386355365.db2.gz URGWFLQCKCPTNI-CYBMUJFWSA-N 2 1 228.380 1.611 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000336692035 386363731 /nfs/dbraw/zinc/36/37/31/386363731.db2.gz MXZYOPIQUBNZFW-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC000336696839 386378192 /nfs/dbraw/zinc/37/81/92/386378192.db2.gz HHAZULWDUPGPNW-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336696839 386378199 /nfs/dbraw/zinc/37/81/99/386378199.db2.gz HHAZULWDUPGPNW-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336696839 386378202 /nfs/dbraw/zinc/37/82/02/386378202.db2.gz HHAZULWDUPGPNW-OLZOCXBDSA-N 2 1 226.364 1.297 20 0 BDADMP c1ccc([C@@H]2C[C@H]2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000414741860 386327556 /nfs/dbraw/zinc/32/75/56/386327556.db2.gz SNWZRFUMKOMUEL-JONQDZQNSA-N 2 1 242.366 1.941 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000336677915 386330035 /nfs/dbraw/zinc/33/00/35/386330035.db2.gz ACYQAHLJMIWIHS-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cc[nH]n2)CC[NH2+]1 ZINC000414740226 386330712 /nfs/dbraw/zinc/33/07/12/386330712.db2.gz KVCUMBPMKKRQIL-QWRGUYRKSA-N 2 1 222.336 1.230 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414740430 386332250 /nfs/dbraw/zinc/33/22/50/386332250.db2.gz LHYIQOWMIBCEKY-JHJVBQTASA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1cnn(C)c1)CC[NH2+]CC2 ZINC000335275378 386336732 /nfs/dbraw/zinc/33/67/32/386336732.db2.gz AFYGBWISWMSCPT-LBPRGKRZSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1ccon1)CC[NH2+]CC2 ZINC000335276623 386339350 /nfs/dbraw/zinc/33/93/50/386339350.db2.gz GTLVKVLICLLIHS-LLVKDONJSA-N 2 1 235.331 1.639 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414910355 386437212 /nfs/dbraw/zinc/43/72/12/386437212.db2.gz CLJLGUDFTAHKQK-SYQHCUMBSA-N 2 1 240.391 1.779 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC000336717897 386441242 /nfs/dbraw/zinc/44/12/42/386441242.db2.gz WOIBNVKBOIJSGD-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336717897 386441247 /nfs/dbraw/zinc/44/12/47/386441247.db2.gz WOIBNVKBOIJSGD-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336717897 386441253 /nfs/dbraw/zinc/44/12/53/386441253.db2.gz WOIBNVKBOIJSGD-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336719033 386447550 /nfs/dbraw/zinc/44/75/50/386447550.db2.gz RMLZVAQEVXRVLG-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336704613 386392646 /nfs/dbraw/zinc/39/26/46/386392646.db2.gz NDTJDUPGPYEZBZ-CYBMUJFWSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647891475 386393293 /nfs/dbraw/zinc/39/32/93/386393293.db2.gz IOUUNAKUFZMHJR-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]1 ZINC000414754825 386394962 /nfs/dbraw/zinc/39/49/62/386394962.db2.gz SJGRTVBYHXQYCL-SYQHCUMBSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+](CCCO)C1CC[NH+](CCC2CC2)CC1 ZINC000336705483 386396819 /nfs/dbraw/zinc/39/68/19/386396819.db2.gz AUNKEUSIDDYZNE-UHFFFAOYSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(C)COC2)C1 ZINC000336700886 386401808 /nfs/dbraw/zinc/40/18/08/386401808.db2.gz LNVYGBAHTBVYRS-GFCCVEGCSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336700886 386401810 /nfs/dbraw/zinc/40/18/10/386401810.db2.gz LNVYGBAHTBVYRS-GFCCVEGCSA-N 2 1 226.364 1.297 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336700886 386401812 /nfs/dbraw/zinc/40/18/12/386401812.db2.gz LNVYGBAHTBVYRS-GFCCVEGCSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCO1 ZINC000336732712 386402815 /nfs/dbraw/zinc/40/28/15/386402815.db2.gz FZYTUWRPYOMIOV-WCQYABFASA-N 2 1 224.348 1.405 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)CC[C@@H]1CCCO1 ZINC000414757392 386403293 /nfs/dbraw/zinc/40/32/93/386403293.db2.gz LBTLKVJJSFVUNF-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000414757392 386403298 /nfs/dbraw/zinc/40/32/98/386403298.db2.gz LBTLKVJJSFVUNF-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000093232441 386406864 /nfs/dbraw/zinc/40/68/64/386406864.db2.gz XEBBMLRWJVEOPK-UHFFFAOYSA-N 2 1 236.359 1.872 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336707416 386410525 /nfs/dbraw/zinc/41/05/25/386410525.db2.gz GXQPPMSZTDHAQG-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)CO ZINC000336708749 386416940 /nfs/dbraw/zinc/41/69/40/386416940.db2.gz JBPKFACFVIDARL-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)CO ZINC000336708749 386416948 /nfs/dbraw/zinc/41/69/48/386416948.db2.gz JBPKFACFVIDARL-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)CO ZINC000336708749 386416950 /nfs/dbraw/zinc/41/69/50/386416950.db2.gz JBPKFACFVIDARL-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762697 386426168 /nfs/dbraw/zinc/42/61/68/386426168.db2.gz AVURYEFEPRQIDM-WUHRBBMRSA-N 2 1 208.349 1.574 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336710702 386426146 /nfs/dbraw/zinc/42/61/46/386426146.db2.gz LKOXHGATAWNKGG-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336710702 386426151 /nfs/dbraw/zinc/42/61/51/386426151.db2.gz LKOXHGATAWNKGG-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@@H](C)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336710702 386426153 /nfs/dbraw/zinc/42/61/53/386426153.db2.gz LKOXHGATAWNKGG-GXTWGEPZSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H](C)[NH3+] ZINC000415011108 386485116 /nfs/dbraw/zinc/48/51/16/386485116.db2.gz QDSCNCVDZODPLZ-DTWKUNHWSA-N 2 1 218.304 1.388 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647935088 386489330 /nfs/dbraw/zinc/48/93/30/386489330.db2.gz ZAOBPOACPXQZKR-XQQFMLRXSA-N 3 1 225.380 1.045 20 0 BDADMP COc1cc(C)c(C[NH2+]C2CC[NH2+]CC2)c(C)n1 ZINC000414781268 386500759 /nfs/dbraw/zinc/50/07/59/386500759.db2.gz BZJURWFEQMZTCV-UHFFFAOYSA-N 2 1 249.358 1.549 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022252 386512129 /nfs/dbraw/zinc/51/21/29/386512129.db2.gz ISWJFGSPXMTCHM-MGPQQGTHSA-N 2 1 241.423 1.715 20 0 BDADMP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)COC1 ZINC000393975183 386514560 /nfs/dbraw/zinc/51/45/60/386514560.db2.gz UUFSJPGMLCTNLH-YNEHKIRRSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H]1C[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000414785508 386514783 /nfs/dbraw/zinc/51/47/83/386514783.db2.gz JEXZCLRAZDMIMJ-MQYQWHSLSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@H]1C[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000414785508 386514791 /nfs/dbraw/zinc/51/47/91/386514791.db2.gz JEXZCLRAZDMIMJ-MQYQWHSLSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335448385 386517418 /nfs/dbraw/zinc/51/74/18/386517418.db2.gz PBHGRLNSBWUQQJ-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000415037888 386523828 /nfs/dbraw/zinc/52/38/28/386523828.db2.gz LMGXWOIAAHIOPJ-OAHLLOKOSA-N 2 1 248.370 1.772 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543660 386524352 /nfs/dbraw/zinc/52/43/52/386524352.db2.gz IAXPNOYMEFOKSA-VXGBXAGGSA-N 2 1 249.362 1.078 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543660 386524357 /nfs/dbraw/zinc/52/43/57/386524357.db2.gz IAXPNOYMEFOKSA-VXGBXAGGSA-N 2 1 249.362 1.078 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543660 386524361 /nfs/dbraw/zinc/52/43/61/386524361.db2.gz IAXPNOYMEFOKSA-VXGBXAGGSA-N 2 1 249.362 1.078 20 0 BDADMP CC(C)(C)NCC[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415041681 386527870 /nfs/dbraw/zinc/52/78/70/386527870.db2.gz QBQKSLSFVQTYAE-QWRGUYRKSA-N 2 1 213.369 1.092 20 0 BDADMP CC(C)(C)[NH2+]CCN[C@H]1CC[C@H](C[NH3+])C1 ZINC000415041681 386527873 /nfs/dbraw/zinc/52/78/73/386527873.db2.gz QBQKSLSFVQTYAE-QWRGUYRKSA-N 2 1 213.369 1.092 20 0 BDADMP Cn1ccnc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336721506 386453491 /nfs/dbraw/zinc/45/34/91/386453491.db2.gz ZFDYQYAQPREVQG-UHFFFAOYSA-N 2 1 236.363 1.194 20 0 BDADMP c1cncc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000335423481 386598350 /nfs/dbraw/zinc/59/83/50/386598350.db2.gz KRVVPWHGECNTBV-OAHLLOKOSA-N 2 1 245.370 1.871 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415076365 386579501 /nfs/dbraw/zinc/57/95/01/386579501.db2.gz GIAAQCYMMHTRQX-UONOGXRCSA-N 2 1 239.407 1.593 20 0 BDADMP CCCC[C@@H](COC)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415079704 386580813 /nfs/dbraw/zinc/58/08/13/386580813.db2.gz XLGCFALECSYELX-STQMWFEESA-N 2 1 228.380 1.923 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415079702 386581042 /nfs/dbraw/zinc/58/10/42/386581042.db2.gz XLGCFALECSYELX-QWHCGFSZSA-N 2 1 228.380 1.923 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1ccncc1)C1CCCC1 ZINC000415044779 386532171 /nfs/dbraw/zinc/53/21/71/386532171.db2.gz BXVSKENQERQTAH-ZDUSSCGKSA-N 2 1 219.332 1.689 20 0 BDADMP CCc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415046129 386532426 /nfs/dbraw/zinc/53/24/26/386532426.db2.gz WVGXPAVUIMAERF-WDNDVIMCSA-N 2 1 216.328 1.556 20 0 BDADMP C([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CC1 ZINC000415057178 386537334 /nfs/dbraw/zinc/53/73/34/386537334.db2.gz RENQEQXVHYTNTM-UHFFFAOYSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000415059027 386540879 /nfs/dbraw/zinc/54/08/79/386540879.db2.gz UKCWTAUPKAUXCJ-LBPRGKRZSA-N 2 1 249.358 1.249 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000415059027 386540882 /nfs/dbraw/zinc/54/08/82/386540882.db2.gz UKCWTAUPKAUXCJ-LBPRGKRZSA-N 2 1 249.358 1.249 20 0 BDADMP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000415063792 386544636 /nfs/dbraw/zinc/54/46/36/386544636.db2.gz AZIZNWUNGSUGFN-GWCFXTLKSA-N 2 1 240.322 1.181 20 0 BDADMP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000415063792 386544640 /nfs/dbraw/zinc/54/46/40/386544640.db2.gz AZIZNWUNGSUGFN-GWCFXTLKSA-N 2 1 240.322 1.181 20 0 BDADMP Cc1nc(CNC[C@@H]2CCC[N@H+](C)C2)[nH]c1C ZINC000519781977 386548504 /nfs/dbraw/zinc/54/85/04/386548504.db2.gz UVDZJTPVAIBXIN-LBPRGKRZSA-N 2 1 236.363 1.458 20 0 BDADMP CCCc1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415067718 386548958 /nfs/dbraw/zinc/54/89/58/386548958.db2.gz LDMCJGIGVFRTBP-CQSZACIVSA-N 2 1 236.359 1.391 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975109 386549913 /nfs/dbraw/zinc/54/99/13/386549913.db2.gz LNMMAFMAXZAUEE-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1nc(CNC[C@H]2CCC[N@H+](C)C2)[nH]c1C ZINC000519781919 386549891 /nfs/dbraw/zinc/54/98/91/386549891.db2.gz UVDZJTPVAIBXIN-GFCCVEGCSA-N 2 1 236.363 1.458 20 0 BDADMP C[N@H+](Cc1ccc(C2CC2)cc1)C[C@@H](O)C[NH3+] ZINC000415069274 386550749 /nfs/dbraw/zinc/55/07/49/386550749.db2.gz OSJWXFQOSWCMEN-AWEZNQCLSA-N 2 1 234.343 1.315 20 0 BDADMP CCCC1CCC(C[N@@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000415067972 386552123 /nfs/dbraw/zinc/55/21/23/386552123.db2.gz LVZXWHUSCJYTBU-RUXDESIVSA-N 2 1 242.407 1.844 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1F ZINC000414794235 386558166 /nfs/dbraw/zinc/55/81/66/386558166.db2.gz FMJSJFCRKDTCSK-ZDUSSCGKSA-N 2 1 222.307 1.961 20 0 BDADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1F ZINC000414794234 386558566 /nfs/dbraw/zinc/55/85/66/386558566.db2.gz FMJSJFCRKDTCSK-CYBMUJFWSA-N 2 1 222.307 1.961 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415072056 386563089 /nfs/dbraw/zinc/56/30/89/386563089.db2.gz VFXHSUYHKDJVSS-UTUOFQBUSA-N 2 1 214.353 1.064 20 0 BDADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC2)s1 ZINC000336756619 386570221 /nfs/dbraw/zinc/57/02/21/386570221.db2.gz IVANLYHMXRICHT-UHFFFAOYSA-N 2 1 225.361 1.847 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000414810355 386630517 /nfs/dbraw/zinc/63/05/17/386630517.db2.gz VGPYSMTYPZGKIO-RWMBFGLXSA-N 2 1 225.380 1.093 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000156589382 386631620 /nfs/dbraw/zinc/63/16/20/386631620.db2.gz WYJMVCXMDXEIPF-UHTWSYAYSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000156589382 386631625 /nfs/dbraw/zinc/63/16/25/386631625.db2.gz WYJMVCXMDXEIPF-UHTWSYAYSA-N 2 1 226.364 1.484 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC(C)(C)COC ZINC000415127243 386632149 /nfs/dbraw/zinc/63/21/49/386632149.db2.gz QOYSLQCHCLZWQR-UHFFFAOYSA-N 2 1 202.342 1.200 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](CF)C2)CC[NH2+]1 ZINC000415120676 386633814 /nfs/dbraw/zinc/63/38/14/386633814.db2.gz JAUOZOPUVYZGPF-IJLUTSLNSA-N 2 1 230.327 1.045 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)COCC ZINC000414816342 386647559 /nfs/dbraw/zinc/64/75/59/386647559.db2.gz PMJXYLPSGDOHAW-WDEREUQCSA-N 2 1 202.342 1.519 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000340670955 386652153 /nfs/dbraw/zinc/65/21/53/386652153.db2.gz HHHQQHYETUHBFH-YRGRVCCFSA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCOCC1 ZINC000062767655 386600403 /nfs/dbraw/zinc/60/04/03/386600403.db2.gz DQBQTVMOSUKOOU-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCOCC1 ZINC000062767655 386600406 /nfs/dbraw/zinc/60/04/06/386600406.db2.gz DQBQTVMOSUKOOU-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP COC[C@H](CC(C)C)N[C@H]1C[NH2+]CC[C@H]1C ZINC000414922982 386601361 /nfs/dbraw/zinc/60/13/61/386601361.db2.gz GQVLXGJICMRCNO-AGIUHOORSA-N 2 1 228.380 1.635 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414922982 386601366 /nfs/dbraw/zinc/60/13/66/386601366.db2.gz GQVLXGJICMRCNO-AGIUHOORSA-N 2 1 228.380 1.635 20 0 BDADMP Cc1[nH]nc2ncc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc12 ZINC000414805936 386604772 /nfs/dbraw/zinc/60/47/72/386604772.db2.gz YYSKHUNTZABBLU-GFCCVEGCSA-N 2 1 247.346 1.339 20 0 BDADMP COCc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414806370 386607187 /nfs/dbraw/zinc/60/71/87/386607187.db2.gz QASBWNRNUBEQOJ-AWEZNQCLSA-N 2 1 234.343 1.660 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cncc(F)c1 ZINC000415108057 386617804 /nfs/dbraw/zinc/61/78/04/386617804.db2.gz KDCFPPDTZJNKBH-WDEREUQCSA-N 2 1 237.322 1.871 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)COC ZINC000414816746 386659206 /nfs/dbraw/zinc/65/92/06/386659206.db2.gz QKMFIXLRIDDQGB-GHMZBOCLSA-N 2 1 202.342 1.519 20 0 BDADMP C[NH2+]CCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414820668 386664575 /nfs/dbraw/zinc/66/45/75/386664575.db2.gz CNMJEXLKZCGXDO-UKRRQHHQSA-N 2 1 247.386 1.631 20 0 BDADMP C1C[C@]2(CO1)CCC[N@H+]([C@@H]1CCC[NH2+]CC1)C2 ZINC000335525692 386669476 /nfs/dbraw/zinc/66/94/76/386669476.db2.gz PSBLZUOIWQIBSG-ZIAGYGMSSA-N 2 1 238.375 1.631 20 0 BDADMP CN(C[C@H](O)C[N@@H+](C)CC1CCC1)C1CC1 ZINC000336648001 386671987 /nfs/dbraw/zinc/67/19/87/386671987.db2.gz FYXOIAGVVQUILZ-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)CC1CCC1)C1CC1 ZINC000336648001 386671992 /nfs/dbraw/zinc/67/19/92/386671992.db2.gz FYXOIAGVVQUILZ-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)CC1CCC1)C1CC1 ZINC000336648001 386671996 /nfs/dbraw/zinc/67/19/96/386671996.db2.gz FYXOIAGVVQUILZ-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC1CCC1 ZINC000336648001 386672005 /nfs/dbraw/zinc/67/20/05/386672005.db2.gz FYXOIAGVVQUILZ-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC1CCC1 ZINC000336648001 386672011 /nfs/dbraw/zinc/67/20/11/386672011.db2.gz FYXOIAGVVQUILZ-CYBMUJFWSA-N 2 1 226.364 1.173 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000414823889 386680655 /nfs/dbraw/zinc/68/06/55/386680655.db2.gz FFDJHASQVUFJFG-GFCCVEGCSA-N 2 1 249.358 1.570 20 0 BDADMP C[C@H]([NH2+]Cc1cncc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414818069 386656675 /nfs/dbraw/zinc/65/66/75/386656675.db2.gz CQKRBQGDUFQDMB-JQWIXIFHSA-N 2 1 237.322 1.698 20 0 BDADMP CC[NH2+]CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414829307 386701431 /nfs/dbraw/zinc/70/14/31/386701431.db2.gz MDYAHDAOKVMVAN-UHFFFAOYSA-N 2 1 247.386 1.855 20 0 BDADMP CC[C@H]1C[C@@H](C[NH2+]CC[NH2+]C)CCO1 ZINC000414828955 386701534 /nfs/dbraw/zinc/70/15/34/386701534.db2.gz LQXDGDNGLHZHNT-QWRGUYRKSA-N 2 1 200.326 1.001 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000414830226 386705981 /nfs/dbraw/zinc/70/59/81/386705981.db2.gz ATUGTQYEJTVZDH-JXQTWKCFSA-N 3 1 239.407 1.754 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000357067267 386708698 /nfs/dbraw/zinc/70/86/98/386708698.db2.gz DJPRTPOTXOWYHH-LBPRGKRZSA-N 2 1 240.372 1.860 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]CC[C@@H]1CCOC1 ZINC000414837293 386735548 /nfs/dbraw/zinc/73/55/48/386735548.db2.gz JKTFWSJNDQYIHH-VXGBXAGGSA-N 2 1 214.353 1.376 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325036967 386714861 /nfs/dbraw/zinc/71/48/61/386714861.db2.gz ODMPYDHXVKSNRX-QWHCGFSZSA-N 2 1 226.364 1.077 20 0 BDADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[NH2+]C ZINC000414832318 386718562 /nfs/dbraw/zinc/71/85/62/386718562.db2.gz QOWSWRJYBVVZKQ-ZDUSSCGKSA-N 2 1 206.333 1.817 20 0 BDADMP C[NH+](C)CCC1CC[NH+](Cc2cocn2)CC1 ZINC000191936250 386719811 /nfs/dbraw/zinc/71/98/11/386719811.db2.gz IYEPUVAUXPEJKR-UHFFFAOYSA-N 2 1 237.347 1.838 20 0 BDADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)C(F)(F)F ZINC000336760722 386720358 /nfs/dbraw/zinc/72/03/58/386720358.db2.gz MMSKUSBHLYZYCD-QMMMGPOBSA-N 2 1 224.270 1.869 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@H]2CCCO)CC[NH2+]C1 ZINC000340700389 386746074 /nfs/dbraw/zinc/74/60/74/386746074.db2.gz HOSGXFXVJZAZPG-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP CCN1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414841952 386749074 /nfs/dbraw/zinc/74/90/74/386749074.db2.gz ONFYJGQSAIEXKA-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(C(C)C)nc1C ZINC000414842133 386749602 /nfs/dbraw/zinc/74/96/02/386749602.db2.gz NWKTWJUPVDMPGQ-LLVKDONJSA-N 2 1 238.379 1.718 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(C(C)C)nc1C ZINC000414842134 386751862 /nfs/dbraw/zinc/75/18/62/386751862.db2.gz NWKTWJUPVDMPGQ-NSHDSACASA-N 2 1 238.379 1.718 20 0 BDADMP CCCC[N@@H+](CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000340712790 386761332 /nfs/dbraw/zinc/76/13/32/386761332.db2.gz NLYJYQZQUZPHJT-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414843669 386766867 /nfs/dbraw/zinc/76/68/67/386766867.db2.gz KCZZMUDGEZTKCJ-NWDGAFQWSA-N 2 1 214.353 1.389 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357358883 386768374 /nfs/dbraw/zinc/76/83/74/386768374.db2.gz XNDPCNJYRUXMMF-GFCCVEGCSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000414838844 386742808 /nfs/dbraw/zinc/74/28/08/386742808.db2.gz LRNKLZXCOZAADD-UPJWGTAASA-N 2 1 227.396 1.162 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000414838844 386742816 /nfs/dbraw/zinc/74/28/16/386742816.db2.gz LRNKLZXCOZAADD-UPJWGTAASA-N 3 1 227.396 1.162 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000414838844 386742825 /nfs/dbraw/zinc/74/28/25/386742825.db2.gz LRNKLZXCOZAADD-UPJWGTAASA-N 3 1 227.396 1.162 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000336668533 386791997 /nfs/dbraw/zinc/79/19/97/386791997.db2.gz MNWRYBNTBXWADJ-UPJWGTAASA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000336668533 386792005 /nfs/dbraw/zinc/79/20/05/386792005.db2.gz MNWRYBNTBXWADJ-UPJWGTAASA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000336668533 386792010 /nfs/dbraw/zinc/79/20/10/386792010.db2.gz MNWRYBNTBXWADJ-UPJWGTAASA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000336668535 386793139 /nfs/dbraw/zinc/79/31/39/386793139.db2.gz MNWRYBNTBXWADJ-YNEHKIRRSA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336668535 386793146 /nfs/dbraw/zinc/79/31/46/386793146.db2.gz MNWRYBNTBXWADJ-YNEHKIRRSA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336668535 386793154 /nfs/dbraw/zinc/79/31/54/386793154.db2.gz MNWRYBNTBXWADJ-YNEHKIRRSA-N 2 1 227.396 1.255 20 0 BDADMP CC(C)[N@H+]1CCCN(Cc2c[nH]cn2)CC1 ZINC000280494996 386817783 /nfs/dbraw/zinc/81/77/83/386817783.db2.gz PCFBCEZLLAFIPX-UHFFFAOYSA-N 2 1 222.336 1.326 20 0 BDADMP CC(C)[N@@H+]1CCCN(Cc2cnc[nH]2)CC1 ZINC000280494996 386817787 /nfs/dbraw/zinc/81/77/87/386817787.db2.gz PCFBCEZLLAFIPX-UHFFFAOYSA-N 2 1 222.336 1.326 20 0 BDADMP CC(C)[N@H+]1CCCN(Cc2cnc[nH]2)CC1 ZINC000280494996 386817789 /nfs/dbraw/zinc/81/77/89/386817789.db2.gz PCFBCEZLLAFIPX-UHFFFAOYSA-N 2 1 222.336 1.326 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000336671328 386811204 /nfs/dbraw/zinc/81/12/04/386811204.db2.gz SEXDZAUWRGPSCR-CYBMUJFWSA-N 3 1 229.412 1.824 20 0 BDADMP Cc1cnc(CNC[C@@H]2CC[N@H+](C3CC3)C2)n1C ZINC000341091329 386836526 /nfs/dbraw/zinc/83/65/26/386836526.db2.gz KYJSYAFLHJPQNL-LBPRGKRZSA-N 2 1 248.374 1.302 20 0 BDADMP CCCn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414937139 386843788 /nfs/dbraw/zinc/84/37/88/386843788.db2.gz CIDMZVKZDSAYEW-WCQYABFASA-N 2 1 236.363 1.381 20 0 BDADMP C[C@H]1OCCN(CCc2cncn2C)[C@@H]1C ZINC000334785818 386847687 /nfs/dbraw/zinc/84/76/87/386847687.db2.gz CDXGNIQZBBDWHC-GHMZBOCLSA-N 2 1 223.320 1.072 20 0 BDADMP CS[C@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000425337490 386851760 /nfs/dbraw/zinc/85/17/60/386851760.db2.gz ADFIGHIFJXQCCN-MNOVXSKESA-N 2 1 225.361 1.675 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)C[NH3+])C1 ZINC000414942722 386893268 /nfs/dbraw/zinc/89/32/68/386893268.db2.gz KODUQBAEAAICHC-GZBFAFLISA-N 2 1 247.386 1.759 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000336744403 386855073 /nfs/dbraw/zinc/85/50/73/386855073.db2.gz UVTNYRJTSIJHGL-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000336744403 386855075 /nfs/dbraw/zinc/85/50/75/386855075.db2.gz UVTNYRJTSIJHGL-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336744403 386855077 /nfs/dbraw/zinc/85/50/77/386855077.db2.gz UVTNYRJTSIJHGL-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000336744399 386855349 /nfs/dbraw/zinc/85/53/49/386855349.db2.gz UVTNYRJTSIJHGL-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000336744399 386855353 /nfs/dbraw/zinc/85/53/53/386855353.db2.gz UVTNYRJTSIJHGL-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336744399 386855357 /nfs/dbraw/zinc/85/53/57/386855357.db2.gz UVTNYRJTSIJHGL-CHWSQXEVSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336744581 386867015 /nfs/dbraw/zinc/86/70/15/386867015.db2.gz QGMCYXMSDVDCPT-DTWKUNHWSA-N 2 1 242.285 1.230 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)s1 ZINC000334832578 386871374 /nfs/dbraw/zinc/87/13/74/386871374.db2.gz FNKCLQDMUDYBBF-GDNZZTSVSA-N 2 1 222.357 1.672 20 0 BDADMP CSCC[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000156905199 386876774 /nfs/dbraw/zinc/87/67/74/386876774.db2.gz TUXUIMGAVMNRTC-SNVBAGLBSA-N 2 1 220.382 1.035 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000335759062 386888740 /nfs/dbraw/zinc/88/87/40/386888740.db2.gz UOSNEHHBHCYMAP-AAEUAGOBSA-N 3 1 225.380 1.045 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000334849589 386898357 /nfs/dbraw/zinc/89/83/57/386898357.db2.gz WWGGYZKHXRUQPV-PJXYFTJBSA-N 2 1 236.746 1.956 20 0 BDADMP C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000395111060 386929349 /nfs/dbraw/zinc/92/93/49/386929349.db2.gz BBPUTMNRIOAEBB-DRZSPHRISA-N 2 1 226.364 1.268 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192609395 387007646 /nfs/dbraw/zinc/00/76/46/387007646.db2.gz DHXJLIYKMRCHHO-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192609395 387007653 /nfs/dbraw/zinc/00/76/53/387007653.db2.gz DHXJLIYKMRCHHO-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP COc1cc(C)nc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000162195556 386974553 /nfs/dbraw/zinc/97/45/53/386974553.db2.gz URUAPNXGSJXXOU-NEPJUHHUSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)nc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000162195556 386974556 /nfs/dbraw/zinc/97/45/56/386974556.db2.gz URUAPNXGSJXXOU-NEPJUHHUSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000162195556 386974559 /nfs/dbraw/zinc/97/45/59/386974559.db2.gz URUAPNXGSJXXOU-NEPJUHHUSA-N 2 1 249.358 1.568 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)C1(CO)CC1 ZINC000353024356 386979070 /nfs/dbraw/zinc/97/90/70/386979070.db2.gz GZHAYUYTRXMKBP-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000166661363 386981340 /nfs/dbraw/zinc/98/13/40/386981340.db2.gz OAXZFQPDYBHHGP-NXEZZACHSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000166661363 386981346 /nfs/dbraw/zinc/98/13/46/386981346.db2.gz OAXZFQPDYBHHGP-NXEZZACHSA-N 2 1 225.361 1.702 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000341886239 386985744 /nfs/dbraw/zinc/98/57/44/386985744.db2.gz XRXZDGBWARSHHC-REWJHTLYSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000358665189 386995438 /nfs/dbraw/zinc/99/54/38/386995438.db2.gz VQMQEUUWUVYRCI-HZSPNIEDSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H](C[NH3+])N(C)c1cc[nH+]cc1Br ZINC000160032594 387041038 /nfs/dbraw/zinc/04/10/38/387041038.db2.gz XVKDVLILQWHBCF-ZETCQYMHSA-N 2 1 244.136 1.628 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H]2CCC[C@H]21 ZINC000417411850 387046840 /nfs/dbraw/zinc/04/68/40/387046840.db2.gz WXINJUWGHVYFDL-RGDJUOJXSA-N 2 1 238.375 1.362 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000336764468 387049117 /nfs/dbraw/zinc/04/91/17/387049117.db2.gz QAKLUXQLXGHQIE-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@]1(F)CNCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000334969261 387052747 /nfs/dbraw/zinc/05/27/47/387052747.db2.gz BKTKSJWRVHPOKO-OLZOCXBDSA-N 3 1 243.370 1.010 20 0 BDADMP C[C@]1(F)C[NH2+]CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000334969261 387052751 /nfs/dbraw/zinc/05/27/51/387052751.db2.gz BKTKSJWRVHPOKO-OLZOCXBDSA-N 3 1 243.370 1.010 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000333771242 387054600 /nfs/dbraw/zinc/05/46/00/387054600.db2.gz CASJQRKGSUMHDH-RNCFNFMXSA-N 2 1 237.347 1.769 20 0 BDADMP C[C@]1(F)CNCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000334973394 387058891 /nfs/dbraw/zinc/05/88/91/387058891.db2.gz OUEZINWZKFUQHX-NEPJUHHUSA-N 2 1 230.327 1.189 20 0 BDADMP C[C@]1(F)CNCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000334973394 387058893 /nfs/dbraw/zinc/05/88/93/387058893.db2.gz OUEZINWZKFUQHX-NEPJUHHUSA-N 2 1 230.327 1.189 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000369736043 387064792 /nfs/dbraw/zinc/06/47/92/387064792.db2.gz LVDZANIPQRBFNA-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2nccn21 ZINC000333317956 387026391 /nfs/dbraw/zinc/02/63/91/387026391.db2.gz TZIDZNDZNOYWON-NDBYEHHHSA-N 2 1 248.374 1.996 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CCCC[NH2+]1 ZINC000333344073 387028631 /nfs/dbraw/zinc/02/86/31/387028631.db2.gz YTPWISBWASLALW-WXHSDQCUSA-N 2 1 248.374 1.387 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359220239 387068926 /nfs/dbraw/zinc/06/89/26/387068926.db2.gz OHIIQHRBZVGTCD-AWEZNQCLSA-N 3 1 241.423 1.681 20 0 BDADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCOCC1 ZINC000118942505 387078673 /nfs/dbraw/zinc/07/86/73/387078673.db2.gz VSHUZUQVZKJONP-SMDDNHRTSA-N 2 1 240.391 1.731 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cn1 ZINC000335010696 387105498 /nfs/dbraw/zinc/10/54/98/387105498.db2.gz KWPDHBXBGJTTIJ-NWDGAFQWSA-N 2 1 205.305 1.359 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000165269181 387127304 /nfs/dbraw/zinc/12/73/04/387127304.db2.gz MYJCSSNUNBXRTF-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423298829 387129452 /nfs/dbraw/zinc/12/94/52/387129452.db2.gz ASJDRNRWAHJXIA-QMMMGPOBSA-N 2 1 226.270 1.835 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CC2C[NH2+]C2)c(C)o1 ZINC000423306177 387141933 /nfs/dbraw/zinc/14/19/33/387141933.db2.gz SGUKJDAMNQBECT-VIFPVBQESA-N 2 1 208.305 1.766 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)(CO)CC1 ZINC000186958813 387154907 /nfs/dbraw/zinc/15/49/07/387154907.db2.gz SPQONWNCMBBOOY-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CCCCO[C@H]1C[C@H]([NH2+][C@H](C)C[NH3+])C1(C)C ZINC000423315620 387157239 /nfs/dbraw/zinc/15/72/39/387157239.db2.gz ABGWSNOSCURIOE-WOPDTQHZSA-N 2 1 228.380 1.907 20 0 BDADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423319538 387162168 /nfs/dbraw/zinc/16/21/68/387162168.db2.gz LQIFKOWFYMVULP-MFKMUULPSA-N 2 1 219.332 1.778 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)OCO2 ZINC000423327422 387169367 /nfs/dbraw/zinc/16/93/67/387169367.db2.gz RMAYXWSKINUQSK-BXKDBHETSA-N 2 1 248.326 1.803 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423328222 387170302 /nfs/dbraw/zinc/17/03/02/387170302.db2.gz LWIRIVHSQZSCNR-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423328222 387170305 /nfs/dbraw/zinc/17/03/05/387170305.db2.gz LWIRIVHSQZSCNR-HZSPNIEDSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423328222 387170310 /nfs/dbraw/zinc/17/03/10/387170310.db2.gz LWIRIVHSQZSCNR-HZSPNIEDSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000423328948 387171873 /nfs/dbraw/zinc/17/18/73/387171873.db2.gz OHHAJYIUWHCVFB-OPQQBVKSSA-N 2 1 204.317 1.857 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000423328943 387172070 /nfs/dbraw/zinc/17/20/70/387172070.db2.gz OHHAJYIUWHCVFB-CWSCBRNRSA-N 2 1 204.317 1.857 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330253 387176574 /nfs/dbraw/zinc/17/65/74/387176574.db2.gz BQUVRNYAAJQDMF-GXTWGEPZSA-N 3 1 237.391 1.226 20 0 BDADMP CCN1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330253 387176579 /nfs/dbraw/zinc/17/65/79/387176579.db2.gz BQUVRNYAAJQDMF-GXTWGEPZSA-N 2 1 237.391 1.226 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000120116772 387186938 /nfs/dbraw/zinc/18/69/38/387186938.db2.gz CZVKNPDUXLJVBD-GMXVVIOVSA-N 2 1 224.348 1.238 20 0 BDADMP C(COCC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229621938 387187422 /nfs/dbraw/zinc/18/74/22/387187422.db2.gz KNYASIFKNTYDDT-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423304114 387138075 /nfs/dbraw/zinc/13/80/75/387138075.db2.gz JXJYTCVCKOJLET-XJFOESAGSA-N 3 1 239.407 1.482 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](COC)C1CC1 ZINC000423304794 387139588 /nfs/dbraw/zinc/13/95/88/387139588.db2.gz ZLXFBICMUSDDFC-RYUDHWBXSA-N 2 1 214.353 1.519 20 0 BDADMP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423351985 387203787 /nfs/dbraw/zinc/20/37/87/387203787.db2.gz JIZHSPZOMWZKJY-OLZOCXBDSA-N 3 1 223.364 1.026 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCOCC1 ZINC000423355983 387207097 /nfs/dbraw/zinc/20/70/97/387207097.db2.gz GELLPUABSZFJJG-NQBHXWOUSA-N 2 1 226.364 1.389 20 0 BDADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000643496338 387208426 /nfs/dbraw/zinc/20/84/26/387208426.db2.gz YNIHUSOFDXKBFX-ZDUSSCGKSA-N 2 1 231.343 1.801 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H](C)C[NH3+])C[C@@H]1OC ZINC000423361085 387212311 /nfs/dbraw/zinc/21/23/11/387212311.db2.gz GQJAVDVKHNEHAQ-AXFHLTTASA-N 2 1 214.353 1.517 20 0 BDADMP CCC1(CC)[C@@H]([NH2+][C@@H](C)C[NH3+])C[C@@H]1OC ZINC000423361086 387214213 /nfs/dbraw/zinc/21/42/13/387214213.db2.gz GQJAVDVKHNEHAQ-DCAQKATOSA-N 2 1 214.353 1.517 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000423366642 387218228 /nfs/dbraw/zinc/21/82/28/387218228.db2.gz CSFNHDVMNQQCBY-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000423366927 387219268 /nfs/dbraw/zinc/21/92/68/387219268.db2.gz LWFDRPCKKUJJGK-AXFHLTTASA-N 2 1 222.336 1.341 20 0 BDADMP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423369793 387223053 /nfs/dbraw/zinc/22/30/53/387223053.db2.gz OQOQBVGKCIPATB-CABZTGNLSA-N 2 1 220.316 1.619 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423372521 387226552 /nfs/dbraw/zinc/22/65/52/387226552.db2.gz VXHSQNACFROTJP-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372521 387226558 /nfs/dbraw/zinc/22/65/58/387226558.db2.gz VXHSQNACFROTJP-UPJWGTAASA-N 3 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372521 387226561 /nfs/dbraw/zinc/22/65/61/387226561.db2.gz VXHSQNACFROTJP-UPJWGTAASA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423326734 387231851 /nfs/dbraw/zinc/23/18/51/387231851.db2.gz MWYRAZAVODOAID-NXEZZACHSA-N 2 1 220.316 1.715 20 0 BDADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000423326797 387232505 /nfs/dbraw/zinc/23/25/05/387232505.db2.gz RDNBDVHNPACAES-GXFFZTMASA-N 2 1 219.332 1.778 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400865 387234908 /nfs/dbraw/zinc/23/49/08/387234908.db2.gz QKXDZTYNQIFCDV-UVLXDEKHSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423400865 387234913 /nfs/dbraw/zinc/23/49/13/387234913.db2.gz QKXDZTYNQIFCDV-UVLXDEKHSA-N 2 1 237.391 1.057 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000572131623 387245379 /nfs/dbraw/zinc/24/53/79/387245379.db2.gz IRXQXZCUAMHVPR-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000572131623 387245386 /nfs/dbraw/zinc/24/53/86/387245386.db2.gz IRXQXZCUAMHVPR-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423410322 387245678 /nfs/dbraw/zinc/24/56/78/387245678.db2.gz ZZEFKECNULSFNL-PEBLQZBPSA-N 2 1 239.407 1.303 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423410322 387245684 /nfs/dbraw/zinc/24/56/84/387245684.db2.gz ZZEFKECNULSFNL-PEBLQZBPSA-N 3 1 239.407 1.303 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423410322 387245688 /nfs/dbraw/zinc/24/56/88/387245688.db2.gz ZZEFKECNULSFNL-PEBLQZBPSA-N 3 1 239.407 1.303 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423410324 387245837 /nfs/dbraw/zinc/24/58/37/387245837.db2.gz ZZEFKECNULSFNL-XHJNMGKDSA-N 2 1 239.407 1.303 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423410324 387245844 /nfs/dbraw/zinc/24/58/44/387245844.db2.gz ZZEFKECNULSFNL-XHJNMGKDSA-N 3 1 239.407 1.303 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423410324 387245848 /nfs/dbraw/zinc/24/58/48/387245848.db2.gz ZZEFKECNULSFNL-XHJNMGKDSA-N 3 1 239.407 1.303 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000194950066 387253757 /nfs/dbraw/zinc/25/37/57/387253757.db2.gz YNIJWNPZWLTDMU-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@@](C)([NH3+])CCC ZINC000353646843 387247190 /nfs/dbraw/zinc/24/71/90/387247190.db2.gz ZPXJOVFETNMQRC-ZDUSSCGKSA-N 2 1 243.395 1.352 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000161581757 387247682 /nfs/dbraw/zinc/24/76/82/387247682.db2.gz DHGODUIXVCCZHH-WFASDCNBSA-N 2 1 247.386 1.862 20 0 BDADMP C[N@H+]1CC[C@H](NCC(F)(F)CN)[C@H]2CCC[C@@H]21 ZINC000423349439 387201392 /nfs/dbraw/zinc/20/13/92/387201392.db2.gz WTMMRSXFDDNIIY-VWYCJHECSA-N 2 1 247.333 1.043 20 0 BDADMP C[N@@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@H]2CCC[C@@H]21 ZINC000423349439 387201397 /nfs/dbraw/zinc/20/13/97/387201397.db2.gz WTMMRSXFDDNIIY-VWYCJHECSA-N 2 1 247.333 1.043 20 0 BDADMP C[N@H+]1CC[C@H](NCC(F)(F)C[NH3+])[C@H]2CCC[C@@H]21 ZINC000423349439 387201403 /nfs/dbraw/zinc/20/14/03/387201403.db2.gz WTMMRSXFDDNIIY-VWYCJHECSA-N 2 1 247.333 1.043 20 0 BDADMP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@@H]1CCCCN1 ZINC000423465980 387313425 /nfs/dbraw/zinc/31/34/25/387313425.db2.gz AGTITRPOTRULHB-RDBSUJKOSA-N 2 1 239.407 1.639 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423375258 387257508 /nfs/dbraw/zinc/25/75/08/387257508.db2.gz XTOQFAXQACBZEA-DGCLKSJQSA-N 2 1 219.332 1.874 20 0 BDADMP c1cncc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCC2)c1 ZINC000423430502 387259791 /nfs/dbraw/zinc/25/97/91/387259791.db2.gz KXOQVPFWUCIPDQ-LJISPDSOSA-N 2 1 243.354 1.730 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C)O1 ZINC000423382812 387264786 /nfs/dbraw/zinc/26/47/86/387264786.db2.gz ITSOFNSLHVDRDE-NDBYEHHHSA-N 2 1 240.391 1.920 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000423385730 387268842 /nfs/dbraw/zinc/26/88/42/387268842.db2.gz RAAKHCXBNZRJFH-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000423387295 387270834 /nfs/dbraw/zinc/27/08/34/387270834.db2.gz RWUYTAPPBYULPG-GVXVVHGQSA-N 2 1 236.363 1.694 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000423390571 387275438 /nfs/dbraw/zinc/27/54/38/387275438.db2.gz WICOKKRLKDXFIL-MXWKQRLJSA-N 2 1 200.326 1.142 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cccnc1 ZINC000643499086 387284908 /nfs/dbraw/zinc/28/49/08/387284908.db2.gz RSBOJNQVPXLUMT-NSHDSACASA-N 2 1 207.321 1.732 20 0 BDADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437850 387287612 /nfs/dbraw/zinc/28/76/12/387287612.db2.gz QWMVNVWTQLXZJA-WMNSZERYSA-N 2 1 246.329 1.866 20 0 BDADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423440145 387290797 /nfs/dbraw/zinc/29/07/97/387290797.db2.gz APKHPHNLOPUKDY-YYHQMBLXSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423454249 387301255 /nfs/dbraw/zinc/30/12/55/387301255.db2.gz BYPBILJPSJKJLE-RFGFWPKPSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423454249 387301259 /nfs/dbraw/zinc/30/12/59/387301259.db2.gz BYPBILJPSJKJLE-RFGFWPKPSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423520175 387354239 /nfs/dbraw/zinc/35/42/39/387354239.db2.gz PUNNYQVMQIQVMA-JSGCOSHPSA-N 2 1 234.343 1.716 20 0 BDADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501527 387354583 /nfs/dbraw/zinc/35/45/83/387354583.db2.gz JPBWDGMJHCRTMU-RYUDHWBXSA-N 2 1 214.353 1.533 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000423524713 387356026 /nfs/dbraw/zinc/35/60/26/387356026.db2.gz JXNPVKBUDQSBPR-LLVKDONJSA-N 2 1 236.363 1.696 20 0 BDADMP C1C[C@@H]2C[C@@H](N[C@H]3CCCC[NH2+]C3)CC[N@H+]2C1 ZINC000423550961 387372163 /nfs/dbraw/zinc/37/21/63/387372163.db2.gz IVTYCPHPDVWZJK-MELADBBJSA-N 2 1 237.391 1.345 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462674 387326460 /nfs/dbraw/zinc/32/64/60/387326460.db2.gz CRQYTDWASGZAAP-MELADBBJSA-N 2 1 237.391 1.188 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000643462674 387326466 /nfs/dbraw/zinc/32/64/66/387326466.db2.gz CRQYTDWASGZAAP-MELADBBJSA-N 2 1 237.391 1.188 20 0 BDADMP N[C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423481993 387327341 /nfs/dbraw/zinc/32/73/41/387327341.db2.gz XHULNTMBVFANIN-CRWXNKLISA-N 2 1 239.407 1.754 20 0 BDADMP C[C@@H]1CSCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000575498019 387329481 /nfs/dbraw/zinc/32/94/81/387329481.db2.gz QVIZDYWEJOLJDQ-BBBLOLIVSA-N 2 1 200.351 1.161 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321957016 387334714 /nfs/dbraw/zinc/33/47/14/387334714.db2.gz XXFGLYWWJITQGQ-LPWJVIDDSA-N 2 1 210.365 1.962 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000354148596 387335640 /nfs/dbraw/zinc/33/56/40/387335640.db2.gz YBHYIDWGSXZZSM-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423501191 387340747 /nfs/dbraw/zinc/34/07/47/387340747.db2.gz AYZMSWIPAUKMOR-YIYPIFLZSA-N 2 1 239.407 1.243 20 0 BDADMP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423502632 387343073 /nfs/dbraw/zinc/34/30/73/387343073.db2.gz FDZTZQGLBIJUQJ-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423501987 387343567 /nfs/dbraw/zinc/34/35/67/387343567.db2.gz LQMPOCLUSWWVMD-AAEUAGOBSA-N 2 1 228.380 1.909 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000423511999 387348450 /nfs/dbraw/zinc/34/84/50/387348450.db2.gz KSOXHRXJFXGLQO-XJFOESAGSA-N 2 1 239.407 1.304 20 0 BDADMP CC[C@@H](C)[N@H+](CCO)CCn1cc[nH+]c1C ZINC000287383070 387423582 /nfs/dbraw/zinc/42/35/82/387423582.db2.gz NAKITIZCMASHBV-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP CC[C@@H](C)[N@@H+](CCO)CCn1cc[nH+]c1C ZINC000287383070 387423587 /nfs/dbraw/zinc/42/35/87/387423587.db2.gz NAKITIZCMASHBV-LLVKDONJSA-N 2 1 225.336 1.284 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000121887951 387428073 /nfs/dbraw/zinc/42/80/73/387428073.db2.gz SXSJSETXRGJOQE-VXGBXAGGSA-N 2 1 228.380 1.610 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccn(C)c1 ZINC000270639024 387435966 /nfs/dbraw/zinc/43/59/66/387435966.db2.gz OBQQILRXQFGWIQ-UHFFFAOYSA-N 2 1 218.304 1.320 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361399442 387454616 /nfs/dbraw/zinc/45/46/16/387454616.db2.gz FNXOYGHNRCRIGF-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361399442 387454620 /nfs/dbraw/zinc/45/46/20/387454620.db2.gz FNXOYGHNRCRIGF-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361399442 387454624 /nfs/dbraw/zinc/45/46/24/387454624.db2.gz FNXOYGHNRCRIGF-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)C1(C)C ZINC000361405166 387454687 /nfs/dbraw/zinc/45/46/87/387454687.db2.gz WTQOBTSVDCFBOD-GFCCVEGCSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](Cc1cccs1)[NH2+]CC[NH2+]C ZINC000643504474 387418239 /nfs/dbraw/zinc/41/82/39/387418239.db2.gz WJORPSRUNRBNQL-SNVBAGLBSA-N 2 1 212.362 1.878 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)OC ZINC000361572275 387499186 /nfs/dbraw/zinc/49/91/86/387499186.db2.gz CQFMPVWHRJDCCV-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507883 387479740 /nfs/dbraw/zinc/47/97/40/387479740.db2.gz UYPFCZRJRJRJRZ-WXHSDQCUSA-N 2 1 208.349 1.907 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000643508343 387489160 /nfs/dbraw/zinc/48/91/60/387489160.db2.gz PDMRCIIKTVYGID-ZIAGYGMSSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000643508343 387489161 /nfs/dbraw/zinc/48/91/61/387489161.db2.gz PDMRCIIKTVYGID-ZIAGYGMSSA-N 3 1 239.407 1.591 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000643508343 387489166 /nfs/dbraw/zinc/48/91/66/387489166.db2.gz PDMRCIIKTVYGID-ZIAGYGMSSA-N 3 1 239.407 1.591 20 0 BDADMP CCC[C@H](C)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000336691982 387580719 /nfs/dbraw/zinc/58/07/19/387580719.db2.gz HJFZVSAQRLUAMC-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305287231 387591953 /nfs/dbraw/zinc/59/19/53/387591953.db2.gz DBNPCGQTBCZYEG-IGQOVBAYSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000422635893 387611549 /nfs/dbraw/zinc/61/15/49/387611549.db2.gz LZXJLNXFNIIXIB-MBNYWOFBSA-N 2 1 240.391 1.718 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422690351 387612352 /nfs/dbraw/zinc/61/23/52/387612352.db2.gz GDOGFQGZYDRVGU-MGPQQGTHSA-N 3 1 239.407 1.306 20 0 BDADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422690351 387612356 /nfs/dbraw/zinc/61/23/56/387612356.db2.gz GDOGFQGZYDRVGU-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422690351 387612359 /nfs/dbraw/zinc/61/23/59/387612359.db2.gz GDOGFQGZYDRVGU-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422699918 387614621 /nfs/dbraw/zinc/61/46/21/387614621.db2.gz FLAONTSDQYFUPT-YUTCNCBUSA-N 2 1 240.391 1.658 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422698411 387615308 /nfs/dbraw/zinc/61/53/08/387615308.db2.gz ZESBWWUCXIWOBL-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCC[C@H]1O ZINC000305636549 387618354 /nfs/dbraw/zinc/61/83/54/387618354.db2.gz ORZLZNOGZKVUTC-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCC[C@H]1O ZINC000305636549 387618359 /nfs/dbraw/zinc/61/83/59/387618359.db2.gz ORZLZNOGZKVUTC-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCC[C@H]1O ZINC000305636549 387618365 /nfs/dbraw/zinc/61/83/65/387618365.db2.gz ORZLZNOGZKVUTC-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422702410 387618825 /nfs/dbraw/zinc/61/88/25/387618825.db2.gz FCFKSADYZMOJRN-BNOWGMLFSA-N 2 1 242.407 1.904 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422704764 387621137 /nfs/dbraw/zinc/62/11/37/387621137.db2.gz APYNFQMFAAZUIE-UWVGGRQHSA-N 2 1 223.320 1.306 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000305651446 387622917 /nfs/dbraw/zinc/62/29/17/387622917.db2.gz CDFYVSCOOLYWIO-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](O)CC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000305651446 387622922 /nfs/dbraw/zinc/62/29/22/387622922.db2.gz CDFYVSCOOLYWIO-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](O)CC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000305651446 387622926 /nfs/dbraw/zinc/62/29/26/387622926.db2.gz CDFYVSCOOLYWIO-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422708933 387623304 /nfs/dbraw/zinc/62/33/04/387623304.db2.gz JVXFOPUSMXIDOH-QWHCGFSZSA-N 2 1 227.396 1.435 20 0 BDADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOC1 ZINC000397192124 387549528 /nfs/dbraw/zinc/54/95/28/387549528.db2.gz PTWWZUWGBLPUCY-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000305107259 387554162 /nfs/dbraw/zinc/55/41/62/387554162.db2.gz DKTIDKJKMRVGAO-ZLDLUXBVSA-N 2 1 248.370 1.432 20 0 BDADMP [NH3+]CCCOC1CC[NH+](Cc2ccon2)CC1 ZINC000430585009 387631035 /nfs/dbraw/zinc/63/10/35/387631035.db2.gz VNWHGPIWCHFZDN-UHFFFAOYSA-N 2 1 239.319 1.004 20 0 BDADMP CN(CC[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430614287 387632353 /nfs/dbraw/zinc/63/23/53/387632353.db2.gz XWFVYIRGBNKRSW-AWEZNQCLSA-N 2 1 247.386 1.794 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCCCOC)C1 ZINC000430605975 387633560 /nfs/dbraw/zinc/63/35/60/387633560.db2.gz VBUIXCXDSVQAEC-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422724547 387633528 /nfs/dbraw/zinc/63/35/28/387633528.db2.gz VYQDRJDHWBNTRY-QWHCGFSZSA-N 3 1 236.363 1.299 20 0 BDADMP CC(C)c1ncc2c(n1)CC[N@@H+](CCC[NH3+])C2 ZINC000527617004 387639322 /nfs/dbraw/zinc/63/93/22/387639322.db2.gz UQUJXICZJCWLHA-UHFFFAOYSA-N 2 1 234.347 1.307 20 0 BDADMP CC(C)c1ncc2c(n1)CC[N@H+](CCC[NH3+])C2 ZINC000527617004 387639325 /nfs/dbraw/zinc/63/93/25/387639325.db2.gz UQUJXICZJCWLHA-UHFFFAOYSA-N 2 1 234.347 1.307 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422734459 387643198 /nfs/dbraw/zinc/64/31/98/387643198.db2.gz SITVRCNSWJENMW-HZSPNIEDSA-N 2 1 241.423 1.966 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000422739853 387644661 /nfs/dbraw/zinc/64/46/61/387644661.db2.gz MAWYYMCSQXKWNT-CHWSQXEVSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422738948 387644926 /nfs/dbraw/zinc/64/49/26/387644926.db2.gz KNGAQGYZGMZZHQ-TZMCWYRMSA-N 3 1 239.407 1.306 20 0 BDADMP CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422739071 387646138 /nfs/dbraw/zinc/64/61/38/387646138.db2.gz ZVELCWIUDYPSGT-DGCLKSJQSA-N 2 1 206.333 1.945 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000422745959 387647928 /nfs/dbraw/zinc/64/79/28/387647928.db2.gz NBXVMIFHOXSTDA-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744906 387648082 /nfs/dbraw/zinc/64/80/82/387648082.db2.gz UIZVVFAWLVUWQV-CABCVRRESA-N 2 1 248.370 1.929 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000643518505 387648753 /nfs/dbraw/zinc/64/87/53/387648753.db2.gz QJIMMODFAJPSQJ-MFKMUULPSA-N 2 1 236.363 1.758 20 0 BDADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422747619 387651238 /nfs/dbraw/zinc/65/12/38/387651238.db2.gz ZCLSCNWPQDGYND-AEGPPILISA-N 2 1 248.370 1.320 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH3+])C[C@@H]1C ZINC000430799141 387652648 /nfs/dbraw/zinc/65/26/48/387652648.db2.gz APCDWZGBANJMME-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422750026 387655101 /nfs/dbraw/zinc/65/51/01/387655101.db2.gz BWNLKYZSSVDVQQ-YNEHKIRRSA-N 2 1 228.380 1.922 20 0 BDADMP CC(C)(O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000362861201 387665462 /nfs/dbraw/zinc/66/54/62/387665462.db2.gz XHJUDPNWEUOXFJ-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CN(C)c1cc(NC(=O)C[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000431001384 387667022 /nfs/dbraw/zinc/66/70/22/387667022.db2.gz JKLBKACPUFHAKI-SNVBAGLBSA-N 2 1 248.330 1.228 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422766497 387667636 /nfs/dbraw/zinc/66/76/36/387667636.db2.gz XLNOHKNVQPXZQI-LPEHRKFASA-N 2 1 202.367 1.326 20 0 BDADMP CSCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422766415 387667726 /nfs/dbraw/zinc/66/77/26/387667726.db2.gz XETLYGJCXGMRIA-WDEREUQCSA-N 2 1 216.394 1.717 20 0 BDADMP C[C@H]([NH2+]Cc1ccccc1F)C1C[NH2+]C1 ZINC000422768398 387668013 /nfs/dbraw/zinc/66/80/13/387668013.db2.gz SYBNRTCHEBOSAG-VIFPVBQESA-N 2 1 208.280 1.523 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000422775388 387672873 /nfs/dbraw/zinc/67/28/73/387672873.db2.gz BLOWNJDNNYYJGL-UONOGXRCSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000422781734 387681488 /nfs/dbraw/zinc/68/14/88/387681488.db2.gz IZGMVTSKLXFRJU-RYUDHWBXSA-N 3 1 213.369 1.188 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000422783529 387682927 /nfs/dbraw/zinc/68/29/27/387682927.db2.gz OFQAFGBGCOVDOF-XQHKEYJVSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CCCC[C@@H]1C ZINC000422862914 387743176 /nfs/dbraw/zinc/74/31/76/387743176.db2.gz OECOOLQGXNDCLW-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422862915 387743679 /nfs/dbraw/zinc/74/36/79/387743679.db2.gz OFAPJCXSGMWNMR-AAVRWANBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422861986 387744189 /nfs/dbraw/zinc/74/41/89/387744189.db2.gz PGOBPEAJEDUIBY-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422861986 387744195 /nfs/dbraw/zinc/74/41/95/387744195.db2.gz PGOBPEAJEDUIBY-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000422869141 387748637 /nfs/dbraw/zinc/74/86/37/387748637.db2.gz WSSWSBMJSHDIRY-MGPQQGTHSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000422869141 387748641 /nfs/dbraw/zinc/74/86/41/387748641.db2.gz WSSWSBMJSHDIRY-MGPQQGTHSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CCC[C@H](C)C1 ZINC000422868275 387750978 /nfs/dbraw/zinc/75/09/78/387750978.db2.gz UTCMOWBVFJMMON-AVGNSLFASA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC[C@H](C)C1 ZINC000422868275 387750982 /nfs/dbraw/zinc/75/09/82/387750982.db2.gz UTCMOWBVFJMMON-AVGNSLFASA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000422872446 387752877 /nfs/dbraw/zinc/75/28/77/387752877.db2.gz HEAXUTXAGSMDHA-IJLUTSLNSA-N 2 1 228.405 1.860 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000045035623 387704613 /nfs/dbraw/zinc/70/46/13/387704613.db2.gz CMRRGVDQNCVGFU-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000422809352 387707056 /nfs/dbraw/zinc/70/70/56/387707056.db2.gz MBRVFQZBBVRSQQ-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](OC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422811101 387707435 /nfs/dbraw/zinc/70/74/35/387707435.db2.gz TZTQFLZQUACENO-RWMBFGLXSA-N 2 1 228.380 1.778 20 0 BDADMP CC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377262301 387707933 /nfs/dbraw/zinc/70/79/33/387707933.db2.gz OKKNIIDBCACSRQ-GFCCVEGCSA-N 2 1 212.337 1.382 20 0 BDADMP CC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377262301 387707938 /nfs/dbraw/zinc/70/79/38/387707938.db2.gz OKKNIIDBCACSRQ-GFCCVEGCSA-N 2 1 212.337 1.382 20 0 BDADMP Cc1nc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cs1 ZINC000422820310 387717222 /nfs/dbraw/zinc/71/72/22/387717222.db2.gz PWVUOEBCWPNLNT-JOYOIKCWSA-N 2 1 239.388 1.582 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422832551 387726953 /nfs/dbraw/zinc/72/69/53/387726953.db2.gz XYAMMMLXJOCLHO-UONOGXRCSA-N 2 1 241.423 1.696 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000162989124 387730593 /nfs/dbraw/zinc/73/05/93/387730593.db2.gz NCRFDDAQEFVWAA-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000128069131 387734006 /nfs/dbraw/zinc/73/40/06/387734006.db2.gz BAVRBHCOWLQPJT-BFHYXJOUSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000422858609 387739868 /nfs/dbraw/zinc/73/98/68/387739868.db2.gz GPZVDXRVTLXRIV-MWWBDVBNSA-N 2 1 249.402 1.484 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422859040 387740012 /nfs/dbraw/zinc/74/00/12/387740012.db2.gz JLZZOSQWQXNHBM-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422859040 387740021 /nfs/dbraw/zinc/74/00/21/387740021.db2.gz JLZZOSQWQXNHBM-HZSPNIEDSA-N 2 1 239.407 1.578 20 0 BDADMP CCSCC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000129022565 387761813 /nfs/dbraw/zinc/76/18/13/387761813.db2.gz XCSLBUHCWHBTAI-NEPJUHHUSA-N 2 1 244.404 1.192 20 0 BDADMP CCSCC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000129022565 387761818 /nfs/dbraw/zinc/76/18/18/387761818.db2.gz XCSLBUHCWHBTAI-NEPJUHHUSA-N 2 1 244.404 1.192 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000643527926 387762704 /nfs/dbraw/zinc/76/27/04/387762704.db2.gz VRVRVUVNEUDXDE-GWCFXTLKSA-N 2 1 219.332 1.860 20 0 BDADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643527514 387764864 /nfs/dbraw/zinc/76/48/64/387764864.db2.gz NVJLZBOFDNREHT-LDYMZIIASA-N 2 1 238.306 1.758 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(-n2ccnn2)c1 ZINC000643527963 387765012 /nfs/dbraw/zinc/76/50/12/387765012.db2.gz WEDKYZSAJYTBCN-WDEREUQCSA-N 2 1 245.330 1.265 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422904253 387767478 /nfs/dbraw/zinc/76/74/78/387767478.db2.gz GNCBGPRXOGLXKM-FRRDWIJNSA-N 2 1 227.396 1.447 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000643528221 387767543 /nfs/dbraw/zinc/76/75/43/387767543.db2.gz FPEXICQXYGSMJY-ZJUUUORDSA-N 2 1 247.342 1.569 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422909507 387768943 /nfs/dbraw/zinc/76/89/43/387768943.db2.gz OEZNWYRHNOBTCS-MELADBBJSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422916164 387773663 /nfs/dbraw/zinc/77/36/63/387773663.db2.gz CNRMXAMKIBDUBV-SDDRHHMPSA-N 2 1 228.380 1.371 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000422921036 387776254 /nfs/dbraw/zinc/77/62/54/387776254.db2.gz ONBYDEKPIJKHOZ-BBBLOLIVSA-N 2 1 200.351 1.222 20 0 BDADMP C[C@H]([NH2+]CC1(C)CC1)c1c[nH+]ccc1N ZINC000422923490 387777596 /nfs/dbraw/zinc/77/75/96/387777596.db2.gz WIEKGGHLQRLEHI-VIFPVBQESA-N 2 1 205.305 1.945 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130516784 387782520 /nfs/dbraw/zinc/78/25/20/387782520.db2.gz CKRMYMMEBZFVAF-CFVMTHIKSA-N 2 1 245.370 1.949 20 0 BDADMP CCOCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422902392 387787259 /nfs/dbraw/zinc/78/72/59/387787259.db2.gz UPPQYQIMOIROAQ-JSGCOSHPSA-N 2 1 236.359 1.571 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000422902696 387787753 /nfs/dbraw/zinc/78/77/53/387787753.db2.gz VANOIOMUWMSSIM-RQJABVFESA-N 2 1 237.391 1.201 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422979392 387788955 /nfs/dbraw/zinc/78/89/55/387788955.db2.gz MOQPCNCGCHIYKC-QJPTWQEYSA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422979894 387790786 /nfs/dbraw/zinc/79/07/86/387790786.db2.gz NUYNRRZHETVVHQ-IJLUTSLNSA-N 2 1 214.353 1.268 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527974210 387812962 /nfs/dbraw/zinc/81/29/62/387812962.db2.gz MJRCHHRKJJQQIF-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527974210 387812968 /nfs/dbraw/zinc/81/29/68/387812968.db2.gz MJRCHHRKJJQQIF-RVMXOQNASA-N 2 1 226.364 1.626 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+]1CCCC1 ZINC000422962879 387813264 /nfs/dbraw/zinc/81/32/64/387813264.db2.gz GXVGATFUECMVFM-UONOGXRCSA-N 3 1 241.423 1.968 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000643457213 387808478 /nfs/dbraw/zinc/80/84/78/387808478.db2.gz DYXQKZSCUZIVRO-MFKMUULPSA-N 2 1 237.347 1.844 20 0 BDADMP C[C@@H]1[C@H](C)N(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000356968009 387757616 /nfs/dbraw/zinc/75/76/16/387757616.db2.gz AUUAIVGEVCUQSH-RDBSUJKOSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1[C@H](C)N(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000356968009 387757618 /nfs/dbraw/zinc/75/76/18/387757618.db2.gz AUUAIVGEVCUQSH-RDBSUJKOSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1[C@H](C)N(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000356968009 387757625 /nfs/dbraw/zinc/75/76/25/387757625.db2.gz AUUAIVGEVCUQSH-RDBSUJKOSA-N 2 1 239.407 1.495 20 0 BDADMP Cc1noc(C)c1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422885286 387760508 /nfs/dbraw/zinc/76/05/08/387760508.db2.gz GTFJNNTYDSMCTA-GWCFXTLKSA-N 2 1 237.347 1.564 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000422972940 387820834 /nfs/dbraw/zinc/82/08/34/387820834.db2.gz NDCSURDQSFXCRS-FRRDWIJNSA-N 2 1 208.349 1.930 20 0 BDADMP CCc1ccc([C@@H](CO)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423006507 387829586 /nfs/dbraw/zinc/82/95/86/387829586.db2.gz VNXGXRATJVRCEO-XHDPSFHLSA-N 2 1 248.370 1.480 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(C)(C)CO ZINC000423008960 387831027 /nfs/dbraw/zinc/83/10/27/387831027.db2.gz UXSBQLFJQUDQTR-VXGBXAGGSA-N 2 1 228.380 1.373 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Cl)cn1 ZINC000423017916 387840306 /nfs/dbraw/zinc/84/03/06/387840306.db2.gz PWDBAAFEYBHZCA-DTWKUNHWSA-N 2 1 227.739 1.950 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423017284 387841934 /nfs/dbraw/zinc/84/19/34/387841934.db2.gz OHJAWXZHSLSSGH-XQQFMLRXSA-N 2 1 240.391 1.371 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1nccs1 ZINC000423031431 387846332 /nfs/dbraw/zinc/84/63/32/387846332.db2.gz DHPOWEOLOKVQJG-MXWKQRLJSA-N 2 1 239.388 1.834 20 0 BDADMP C[C@@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000423030883 387846487 /nfs/dbraw/zinc/84/64/87/387846487.db2.gz KCJIAZCXHMNWSQ-NEPJUHHUSA-N 2 1 226.364 1.269 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000643533219 387846791 /nfs/dbraw/zinc/84/67/91/387846791.db2.gz UFHAHNWVEBQJCZ-NXEZZACHSA-N 2 1 224.352 1.886 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1nccs1 ZINC000423031429 387847365 /nfs/dbraw/zinc/84/73/65/387847365.db2.gz DHPOWEOLOKVQJG-GMTAPVOTSA-N 2 1 239.388 1.834 20 0 BDADMP C[C@H]([NH2+][C@H](CO)CC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423032799 387848324 /nfs/dbraw/zinc/84/83/24/387848324.db2.gz YRRRVMHYUVBCIV-FPMFFAJLSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032740 387848849 /nfs/dbraw/zinc/84/88/49/387848849.db2.gz NBGCKNMQVKTMKI-ZDEQEGDKSA-N 2 1 225.380 1.199 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423039797 387853050 /nfs/dbraw/zinc/85/30/50/387853050.db2.gz RRKRPCLMBKIGJB-UONOGXRCSA-N 2 1 237.391 1.226 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000423074114 387874205 /nfs/dbraw/zinc/87/42/05/387874205.db2.gz TZAFYIWXPKSMCI-OUAUKWLOSA-N 2 1 235.331 1.712 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2C1 ZINC000193612876 387857437 /nfs/dbraw/zinc/85/74/37/387857437.db2.gz DBDCOPHJWAXIKW-GASCZTMLSA-N 2 1 230.355 1.723 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2C1 ZINC000193612876 387857442 /nfs/dbraw/zinc/85/74/42/387857442.db2.gz DBDCOPHJWAXIKW-GASCZTMLSA-N 2 1 230.355 1.723 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000423062861 387868334 /nfs/dbraw/zinc/86/83/34/387868334.db2.gz UZIORZUYKMARHS-NJMOYASZSA-N 2 1 224.348 1.142 20 0 BDADMP CC[C@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423067258 387869583 /nfs/dbraw/zinc/86/95/83/387869583.db2.gz GRQYIWZLXKQDNJ-IUCAKERBSA-N 2 1 240.269 1.643 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423071862 387871966 /nfs/dbraw/zinc/87/19/66/387871966.db2.gz GCNVRHCNGMCGJL-OUCADQQQSA-N 2 1 239.407 1.719 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000527974815 387813816 /nfs/dbraw/zinc/81/38/16/387813816.db2.gz PLNMPGXTBXXCCO-FQUUOJAGSA-N 2 1 240.391 1.874 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000527974817 387813837 /nfs/dbraw/zinc/81/38/37/387813837.db2.gz PLNMPGXTBXXCCO-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccco1 ZINC000422963079 387814525 /nfs/dbraw/zinc/81/45/25/387814525.db2.gz HJWWGNGABMDPEG-IJLUTSLNSA-N 2 1 237.347 1.352 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422965650 387817082 /nfs/dbraw/zinc/81/70/82/387817082.db2.gz PDJYUDRMNCQGOD-VXGBXAGGSA-N 2 1 213.369 1.186 20 0 BDADMP CC(C)SCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423107601 387891765 /nfs/dbraw/zinc/89/17/65/387891765.db2.gz LCFIJIPFBKMLMZ-QWRGUYRKSA-N 2 1 216.394 1.716 20 0 BDADMP CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@@H]1CCC[NH2+]1 ZINC000423110656 387892989 /nfs/dbraw/zinc/89/29/89/387892989.db2.gz PNNDXCNKEKEIMF-JXUBOQSCSA-N 2 1 218.291 1.760 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccncc1 ZINC000643460244 387875220 /nfs/dbraw/zinc/87/52/20/387875220.db2.gz DPRHCOLCIRYMCX-BZPMIXESSA-N 2 1 233.359 1.773 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000423076324 387876035 /nfs/dbraw/zinc/87/60/35/387876035.db2.gz QWVNBKAYDZCJER-UTUOFQBUSA-N 2 1 208.349 1.907 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CCC[NH3+] ZINC000423082895 387878736 /nfs/dbraw/zinc/87/87/36/387878736.db2.gz FCGOBKBJPIMKSS-VXGBXAGGSA-N 3 1 215.385 1.434 20 0 BDADMP CCN(CC)[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423083347 387879457 /nfs/dbraw/zinc/87/94/57/387879457.db2.gz FWONTDHRZDFYDF-IJLUTSLNSA-N 2 1 215.385 1.432 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCSC1)c1c[nH+]ccc1N ZINC000423085819 387880079 /nfs/dbraw/zinc/88/00/79/387880079.db2.gz LKIGYGSPBMKMBV-NXEZZACHSA-N 2 1 237.372 1.898 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423093107 387882924 /nfs/dbraw/zinc/88/29/24/387882924.db2.gz FTZNEKZNZVBJEB-XQQFMLRXSA-N 2 1 242.407 1.904 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423141743 387917966 /nfs/dbraw/zinc/91/79/66/387917966.db2.gz ROVWLSCEIBYKAZ-NEPJUHHUSA-N 2 1 227.396 1.304 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423124285 387902424 /nfs/dbraw/zinc/90/24/24/387902424.db2.gz ODFUJFNIUDAFPF-HABKJSAYSA-N 2 1 239.407 1.588 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1COc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000423126705 387905145 /nfs/dbraw/zinc/90/51/45/387905145.db2.gz SMFHBKLKEKXFBH-MBNYWOFBSA-N 2 1 246.354 1.893 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423129455 387907816 /nfs/dbraw/zinc/90/78/16/387907816.db2.gz XBPIFNKCBDWSEY-HSBZDZAISA-N 3 1 241.423 1.822 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423129455 387907820 /nfs/dbraw/zinc/90/78/20/387907820.db2.gz XBPIFNKCBDWSEY-HSBZDZAISA-N 3 1 241.423 1.822 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)C(C)(C)C ZINC000444691782 387910642 /nfs/dbraw/zinc/91/06/42/387910642.db2.gz AORSBSQOHRJLMJ-LBPRGKRZSA-N 2 1 239.363 1.578 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423139466 387916236 /nfs/dbraw/zinc/91/62/36/387916236.db2.gz KTNVFEDCEVRGQQ-YNEHKIRRSA-N 2 1 229.412 1.822 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)OC ZINC000423139495 387916573 /nfs/dbraw/zinc/91/65/73/387916573.db2.gz KWLGVODVJSZUMR-ZJUUUORDSA-N 2 1 223.320 1.570 20 0 BDADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423152392 387930149 /nfs/dbraw/zinc/93/01/49/387930149.db2.gz FUQLFZCZSFDXSY-NQBHXWOUSA-N 2 1 236.363 1.081 20 0 BDADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423152394 387932468 /nfs/dbraw/zinc/93/24/68/387932468.db2.gz FUQLFZCZSFDXSY-WZRBSPASSA-N 2 1 236.363 1.081 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423153064 387933016 /nfs/dbraw/zinc/93/30/16/387933016.db2.gz MXQLFZOZBAIPQN-CYDGBPFRSA-N 2 1 210.365 1.866 20 0 BDADMP C[C@H]([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423167112 387953025 /nfs/dbraw/zinc/95/30/25/387953025.db2.gz WMKSVEHKIYIEAZ-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP CCCc1ncc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000423168768 387953818 /nfs/dbraw/zinc/95/38/18/387953818.db2.gz YKUUEAYVKNYUKR-CMPLNLGQSA-N 2 1 237.347 1.844 20 0 BDADMP CC[NH+]1CCC(NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000044535186 387937789 /nfs/dbraw/zinc/93/77/89/387937789.db2.gz FCVWTAXSTRILTK-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1c[nH+]ccc1N ZINC000423159084 387938431 /nfs/dbraw/zinc/93/84/31/387938431.db2.gz FFNKZMQITZZSNC-NOZJJQNGSA-N 2 1 235.331 1.306 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000423159191 387938753 /nfs/dbraw/zinc/93/87/53/387938753.db2.gz FMXWBBOJVKKYCJ-AVGNSLFASA-N 2 1 226.364 1.268 20 0 BDADMP Cc1cc(NC[C@H]2CCC[N@H+]2CCCO)cc[nH+]1 ZINC000450600684 387940354 /nfs/dbraw/zinc/94/03/54/387940354.db2.gz WMKBPGQRZJOIFS-CQSZACIVSA-N 2 1 249.358 1.071 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423159539 387940673 /nfs/dbraw/zinc/94/06/73/387940673.db2.gz FVWMRDSHIIBAPD-NDBYEHHHSA-N 2 1 226.364 1.673 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@H+]1CCCC1(C)C ZINC000423162652 387943887 /nfs/dbraw/zinc/94/38/87/387943887.db2.gz LKITXLDMQYUPOZ-NEPJUHHUSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H](CCC[NH3+])[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162283 387944519 /nfs/dbraw/zinc/94/45/19/387944519.db2.gz OZKKJEQVSPKXOL-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000423165918 387950703 /nfs/dbraw/zinc/95/07/03/387950703.db2.gz BSWXXPONSHVZBD-YVECIDJPSA-N 2 1 238.375 1.674 20 0 BDADMP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[NH3+] ZINC000423194677 387979504 /nfs/dbraw/zinc/97/95/04/387979504.db2.gz YETWNMFIKAAUCV-AWEZNQCLSA-N 2 1 236.359 1.776 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000423195774 387979745 /nfs/dbraw/zinc/97/97/45/387979745.db2.gz ZYXZMOPTCONJSA-CHWSQXEVSA-N 2 1 204.317 1.871 20 0 BDADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000453085040 387981587 /nfs/dbraw/zinc/98/15/87/387981587.db2.gz GYNTXFDPSIVAIX-VXGBXAGGSA-N 2 1 236.363 1.792 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000453085040 387981595 /nfs/dbraw/zinc/98/15/95/387981595.db2.gz GYNTXFDPSIVAIX-VXGBXAGGSA-N 2 1 236.363 1.792 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])C1CCC(F)(F)CC1 ZINC000423190475 387975745 /nfs/dbraw/zinc/97/57/45/387975745.db2.gz SLHZIHAGFXRQIC-MRVPVSSYSA-N 2 1 206.280 1.749 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000423192932 387978453 /nfs/dbraw/zinc/97/84/53/387978453.db2.gz QIDIIXXBZGRLRC-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423201812 387987756 /nfs/dbraw/zinc/98/77/56/387987756.db2.gz PRMSPBSHIPKOAE-MELADBBJSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@H]1CC[C@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000086435898 135084260 /nfs/dbraw/zinc/08/42/60/135084260.db2.gz CYAZNSCOQXMAGU-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1cnccc1C ZINC000423198986 387986801 /nfs/dbraw/zinc/98/68/01/387986801.db2.gz IZJMXYDTWWJYBR-LLVKDONJSA-N 2 1 207.321 1.650 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423216087 387996899 /nfs/dbraw/zinc/99/68/99/387996899.db2.gz PJVSDQLNOBWRPF-NEPJUHHUSA-N 2 1 212.337 1.143 20 0 BDADMP COCCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420406774 387999096 /nfs/dbraw/zinc/99/90/96/387999096.db2.gz NZAONISLAMLHRK-STQMWFEESA-N 2 1 228.380 1.720 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCOC1 ZINC000159309315 388006294 /nfs/dbraw/zinc/00/62/94/388006294.db2.gz ONURMIPVRWTSMF-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000156589271 388007999 /nfs/dbraw/zinc/00/79/99/388007999.db2.gz WYJMVCXMDXEIPF-RTXFEEFZSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000156589271 388008002 /nfs/dbraw/zinc/00/80/02/388008002.db2.gz WYJMVCXMDXEIPF-RTXFEEFZSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423240369 388025110 /nfs/dbraw/zinc/02/51/10/388025110.db2.gz SZOUNXXFVDAKAB-OLZOCXBDSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400554437 388025298 /nfs/dbraw/zinc/02/52/98/388025298.db2.gz PHWRKRNXRNUGQX-ZOBORPQBSA-N 2 1 240.391 1.718 20 0 BDADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@H]2CCC[C@H]21 ZINC000423229544 388015127 /nfs/dbraw/zinc/01/51/27/388015127.db2.gz BLDZYQWTPAHNLR-RFQIPJPRSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(C)C ZINC000423230018 388015861 /nfs/dbraw/zinc/01/58/61/388015861.db2.gz CNRFNFXHRGIONG-FRRDWIJNSA-N 2 1 240.391 1.920 20 0 BDADMP C[NH2+]CCCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156650525 388016162 /nfs/dbraw/zinc/01/61/62/388016162.db2.gz RDUYKMCPYUXVCS-RYUDHWBXSA-N 2 1 213.369 1.010 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](COC)C1CCCC1 ZINC000423237684 388020121 /nfs/dbraw/zinc/02/01/21/388020121.db2.gz DMIZYCKRGFCXCJ-LBPRGKRZSA-N 2 1 214.353 1.391 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]1COCC ZINC000423249846 388032207 /nfs/dbraw/zinc/03/22/07/388032207.db2.gz SOKKUEOFNYBSAY-RYUDHWBXSA-N 2 1 214.353 1.391 20 0 BDADMP CC[C@@H](CCO)[NH2+]C1CC[NH+](CC)CC1 ZINC000156803164 388035504 /nfs/dbraw/zinc/03/55/04/388035504.db2.gz IYAJEMXOYYZUFA-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccn(C)n1 ZINC000423264563 388041771 /nfs/dbraw/zinc/04/17/71/388041771.db2.gz ABLVCBIRJFAEGR-GVXVVHGQSA-N 2 1 236.363 1.588 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccn(C)n1 ZINC000423264561 388042416 /nfs/dbraw/zinc/04/24/16/388042416.db2.gz ABLVCBIRJFAEGR-DMDPSCGWSA-N 2 1 236.363 1.588 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423273876 388052448 /nfs/dbraw/zinc/05/24/48/388052448.db2.gz LBFMCVAVJZCHRW-DGAVXFQQSA-N 2 1 239.407 1.432 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cn1 ZINC000423277034 388058955 /nfs/dbraw/zinc/05/89/55/388058955.db2.gz PIXPTQPDCPTFMS-WDEREUQCSA-N 2 1 224.352 1.409 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccccn1 ZINC000423276984 388059038 /nfs/dbraw/zinc/05/90/38/388059038.db2.gz PDWMHYVJOTTYDH-WDEREUQCSA-N 2 1 207.321 1.588 20 0 BDADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCSCC1 ZINC000423283373 388065056 /nfs/dbraw/zinc/06/50/56/388065056.db2.gz VWCRKVMWEZEWIH-SKDRFNHKSA-N 2 1 228.405 1.845 20 0 BDADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)OCO2 ZINC000423284544 388066514 /nfs/dbraw/zinc/06/65/14/388066514.db2.gz WVKYWOTYRNNIAS-SKDRFNHKSA-N 2 1 248.326 1.803 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)OCO2 ZINC000423284542 388067844 /nfs/dbraw/zinc/06/78/44/388067844.db2.gz WVKYWOTYRNNIAS-CABZTGNLSA-N 2 1 248.326 1.803 20 0 BDADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398160 388070922 /nfs/dbraw/zinc/07/09/22/388070922.db2.gz KGMQPTSGPNHIGX-JSGCOSHPSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(CO)c1 ZINC000423287625 388072684 /nfs/dbraw/zinc/07/26/84/388072684.db2.gz NMLVIDNDOQRHAG-JTQLQIEISA-N 2 1 222.332 1.567 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402156 388073034 /nfs/dbraw/zinc/07/30/34/388073034.db2.gz NFHWAJPWTHVYBZ-NEPJUHHUSA-N 2 1 228.380 1.874 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423288019 388073401 /nfs/dbraw/zinc/07/34/01/388073401.db2.gz PYGVFIRQOBNQGQ-NEPJUHHUSA-N 2 1 227.396 1.576 20 0 BDADMP CCCC[C@H](COC)[NH2+]CCc1c[nH+]cn1C ZINC000530460326 322813726 /nfs/dbraw/zinc/81/37/26/322813726.db2.gz LQGRUENCXWSQAH-GFCCVEGCSA-N 2 1 239.363 1.757 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000423295029 388077424 /nfs/dbraw/zinc/07/74/24/388077424.db2.gz DGWWZODXGRARCI-YNEHKIRRSA-N 2 1 228.380 1.909 20 0 BDADMP CCCO[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000261527399 135152382 /nfs/dbraw/zinc/15/23/82/135152382.db2.gz ARNXCURKWIVZOP-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000423296964 388078466 /nfs/dbraw/zinc/07/84/66/388078466.db2.gz ICOJFBMLOXDIKI-REWJHTLYSA-N 2 1 241.423 1.822 20 0 BDADMP CCCO[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000261527399 135152384 /nfs/dbraw/zinc/15/23/84/135152384.db2.gz ARNXCURKWIVZOP-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C[C@H]1COCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453419316 388079926 /nfs/dbraw/zinc/07/99/26/388079926.db2.gz YSEQYSZMHVSOKA-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CN1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453433632 388082097 /nfs/dbraw/zinc/08/20/97/388082097.db2.gz STHDQEGWDUWOHA-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP C[N@H+](CCCC[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000453433632 388082099 /nfs/dbraw/zinc/08/20/99/388082099.db2.gz STHDQEGWDUWOHA-UHFFFAOYSA-N 3 1 239.407 1.545 20 0 BDADMP C[N@@H+](CCCC[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000453433632 388082102 /nfs/dbraw/zinc/08/21/02/388082102.db2.gz STHDQEGWDUWOHA-UHFFFAOYSA-N 3 1 239.407 1.545 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282307 388085695 /nfs/dbraw/zinc/08/56/95/388085695.db2.gz QRSHHONHWAWLRR-UTUOFQBUSA-N 2 1 217.316 1.294 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282307 388085696 /nfs/dbraw/zinc/08/56/96/388085696.db2.gz QRSHHONHWAWLRR-UTUOFQBUSA-N 2 1 217.316 1.294 20 0 BDADMP C[N@@H+](CCCC[NH2+]C[C@@H]1CCCOC1)C1CC1 ZINC000453591567 388085921 /nfs/dbraw/zinc/08/59/21/388085921.db2.gz CREIGJQGXLKMHO-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c(N(C)C)n1 ZINC000085431493 388087677 /nfs/dbraw/zinc/08/76/77/388087677.db2.gz VUTRRZZYSHLYBI-JTQLQIEISA-N 2 1 237.351 1.295 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@H](C)C2)c1C ZINC000085434551 388088012 /nfs/dbraw/zinc/08/80/12/388088012.db2.gz OMXHTYYMYXKBRE-LLVKDONJSA-N 2 1 249.358 1.501 20 0 BDADMP CN(C)c1nc(NCC[N@H+](C)C2CC2)cc[nH+]1 ZINC000085431723 388088940 /nfs/dbraw/zinc/08/89/40/388088940.db2.gz NPQJSSOHXZPLAR-UHFFFAOYSA-N 2 1 235.335 1.049 20 0 BDADMP CN(C)c1nc(NCC[N@@H+](C)C2CC2)cc[nH+]1 ZINC000085431723 388088944 /nfs/dbraw/zinc/08/89/44/388088944.db2.gz NPQJSSOHXZPLAR-UHFFFAOYSA-N 2 1 235.335 1.049 20 0 BDADMP COc1ccc2c(c1)[C@H]([NH2+]CC[NH3+])CCC2 ZINC000086119226 388100310 /nfs/dbraw/zinc/10/03/10/388100310.db2.gz NGGSPDONDKEHET-CYBMUJFWSA-N 2 1 220.316 1.621 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cncs1 ZINC000423267919 388048322 /nfs/dbraw/zinc/04/83/22/388048322.db2.gz FNZQUOUZDQDAIX-DTWKUNHWSA-N 2 1 213.350 1.649 20 0 BDADMP CC[C@H](NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272075 388050665 /nfs/dbraw/zinc/05/06/65/388050665.db2.gz JQWOEWFHGFNGRR-RDBSUJKOSA-N 2 1 239.407 1.496 20 0 BDADMP Cc1ccc(CN(C)CCn2ccnc2)o1 ZINC000162227689 388130003 /nfs/dbraw/zinc/13/00/03/388130003.db2.gz DWXQNNSHTRLFFG-UHFFFAOYSA-N 2 1 219.288 1.917 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488744830 388192634 /nfs/dbraw/zinc/19/26/34/388192634.db2.gz CUMMGRMFUYBPCT-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488744830 388192636 /nfs/dbraw/zinc/19/26/36/388192636.db2.gz CUMMGRMFUYBPCT-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1nccn1CC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489188035 388205344 /nfs/dbraw/zinc/20/53/44/388205344.db2.gz LLDMAMKIZSQCMA-CYBMUJFWSA-N 2 1 235.331 1.038 20 0 BDADMP CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000261528819 135154163 /nfs/dbraw/zinc/15/41/63/135154163.db2.gz OGOZCPSXYONHOC-OUAUKWLOSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@H](C[NH2+]Cc1cnc2cnccn12)C[NH+](C)C ZINC000491590311 388304761 /nfs/dbraw/zinc/30/47/61/388304761.db2.gz YZYSEIZKTJALBJ-LLVKDONJSA-N 2 1 247.346 1.017 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000261530144 135157453 /nfs/dbraw/zinc/15/74/53/135157453.db2.gz XKHRNJLSPWVVKG-QWRGUYRKSA-N 2 1 214.378 1.410 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000451426030 388271508 /nfs/dbraw/zinc/27/15/08/388271508.db2.gz HTXYRYPECDNROV-PWSUYJOCSA-N 2 1 248.317 1.173 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000451426030 388271509 /nfs/dbraw/zinc/27/15/09/388271509.db2.gz HTXYRYPECDNROV-PWSUYJOCSA-N 2 1 248.317 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451426030 388271511 /nfs/dbraw/zinc/27/15/11/388271511.db2.gz HTXYRYPECDNROV-PWSUYJOCSA-N 2 1 248.317 1.173 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451426030 388271512 /nfs/dbraw/zinc/27/15/12/388271512.db2.gz HTXYRYPECDNROV-PWSUYJOCSA-N 2 1 248.317 1.173 20 0 BDADMP Cc1cc(N2CCC[C@H]3C[NH2+]C[C@H]32)nc(C)[nH+]1 ZINC000300033468 388345992 /nfs/dbraw/zinc/34/59/92/388345992.db2.gz VHDHMXNZCBACGZ-NWDGAFQWSA-N 2 1 232.331 1.282 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1CCOC1 ZINC000235395016 388368292 /nfs/dbraw/zinc/36/82/92/388368292.db2.gz DLPNGUFMUNWONJ-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000164059931 388373831 /nfs/dbraw/zinc/37/38/31/388373831.db2.gz HFMARUPKSYSHEC-BFHYXJOUSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCS1 ZINC000327525469 388376897 /nfs/dbraw/zinc/37/68/97/388376897.db2.gz TYBHJMRVQKNIDG-GRYCIOLGSA-N 2 1 226.389 1.423 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000572855498 388381920 /nfs/dbraw/zinc/38/19/20/388381920.db2.gz BJFOIOWIUKFJJS-IHRRRGAJSA-N 2 1 239.407 1.720 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300965009 388395615 /nfs/dbraw/zinc/39/56/15/388395615.db2.gz PYNJJRIFSKPJHT-VHSXEESVSA-N 2 1 218.291 1.702 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965010 388396123 /nfs/dbraw/zinc/39/61/23/388396123.db2.gz PYNJJRIFSKPJHT-ZJUUUORDSA-N 2 1 218.291 1.702 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1[NH3+] ZINC000300984903 388396748 /nfs/dbraw/zinc/39/67/48/388396748.db2.gz SNNITBVOBHPVAZ-KXUCPTDWSA-N 2 1 218.291 1.701 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1[NH3+] ZINC000300984903 388396750 /nfs/dbraw/zinc/39/67/50/388396750.db2.gz SNNITBVOBHPVAZ-KXUCPTDWSA-N 2 1 218.291 1.701 20 0 BDADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000315825886 388402709 /nfs/dbraw/zinc/40/27/09/388402709.db2.gz ZKZYZLBHTXXBIZ-BFHYXJOUSA-N 2 1 238.375 1.364 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2(O)CCC2)C1 ZINC000573955109 388442761 /nfs/dbraw/zinc/44/27/61/388442761.db2.gz XWIDGVYZZGXDPJ-GFCCVEGCSA-N 2 1 226.364 1.223 20 0 BDADMP CCC(C)(C)OCC[NH2+]C1CC[NH+](C)CC1 ZINC000308548901 388442789 /nfs/dbraw/zinc/44/27/89/388442789.db2.gz SOLWHCGGGWBAJI-UHFFFAOYSA-N 2 1 228.380 1.875 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1=CCCOC1 ZINC000308628799 388445653 /nfs/dbraw/zinc/44/56/53/388445653.db2.gz UMFFGFWZTAULTB-UHFFFAOYSA-N 2 1 238.375 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000309815211 388465973 /nfs/dbraw/zinc/46/59/73/388465973.db2.gz VCSNGDKCUSDPKM-SAXRGWBVSA-N 2 1 222.376 1.962 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cncc(F)c1 ZINC000336708706 388466233 /nfs/dbraw/zinc/46/62/33/388466233.db2.gz OABPUMGSECVYRE-UHFFFAOYSA-N 2 1 234.278 1.515 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)on1 ZINC000397478437 388472532 /nfs/dbraw/zinc/47/25/32/388472532.db2.gz JNSJCBDYSFGNIW-WCQGTBRESA-N 2 1 237.347 1.788 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)on1 ZINC000397478437 388472533 /nfs/dbraw/zinc/47/25/33/388472533.db2.gz JNSJCBDYSFGNIW-WCQGTBRESA-N 2 1 237.347 1.788 20 0 BDADMP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336888322 388429549 /nfs/dbraw/zinc/42/95/49/388429549.db2.gz FFIIVFFWQNUEOZ-UPJWGTAASA-N 2 1 238.375 1.770 20 0 BDADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000322304628 388431502 /nfs/dbraw/zinc/43/15/02/388431502.db2.gz AFNADMDTOBMMOV-WTUNAVPPSA-N 2 1 238.375 1.626 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000573213041 388432349 /nfs/dbraw/zinc/43/23/49/388432349.db2.gz TVNYUCQZQVWYAC-ZIAGYGMSSA-N 2 1 242.407 1.715 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000393496834 388432649 /nfs/dbraw/zinc/43/26/49/388432649.db2.gz SEUZZLJLQQEQCD-FDYHWXHSSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000393496834 388432653 /nfs/dbraw/zinc/43/26/53/388432653.db2.gz SEUZZLJLQQEQCD-FDYHWXHSSA-N 2 1 226.364 1.626 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000649287337 388543930 /nfs/dbraw/zinc/54/39/30/388543930.db2.gz SHCMWTYJARNSCJ-OLZOCXBDSA-N 2 1 237.347 1.681 20 0 BDADMP C[C@H]([NH2+]CC1=CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000397613135 388484602 /nfs/dbraw/zinc/48/46/02/388484602.db2.gz CYEBCWBUFXAFOX-AAEUAGOBSA-N 2 1 224.348 1.453 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000311193495 388494679 /nfs/dbraw/zinc/49/46/79/388494679.db2.gz GUKGZGKJHHCMKM-QMTHXVAHSA-N 2 1 249.358 1.512 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1([NH+](C)C)CC1 ZINC000397802283 388500111 /nfs/dbraw/zinc/50/01/11/388500111.db2.gz CWPXIRJMHNUOLI-FRRDWIJNSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802283 388500112 /nfs/dbraw/zinc/50/01/12/388500112.db2.gz CWPXIRJMHNUOLI-FRRDWIJNSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802283 388500113 /nfs/dbraw/zinc/50/01/13/388500113.db2.gz CWPXIRJMHNUOLI-FRRDWIJNSA-N 2 1 239.407 1.399 20 0 BDADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCOC1 ZINC000344330986 388506184 /nfs/dbraw/zinc/50/61/84/388506184.db2.gz OIQVDRRYAOOOLT-KBPBESRZSA-N 2 1 238.375 1.653 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])C2CCC2)n1 ZINC000517029322 388533874 /nfs/dbraw/zinc/53/38/74/388533874.db2.gz HXXMDXWDWNYVLQ-XCBNKYQSSA-N 2 1 224.308 1.020 20 0 BDADMP CCc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000649304866 388589438 /nfs/dbraw/zinc/58/94/38/388589438.db2.gz ZTVKRPCLCMCKKP-BXUZGUMPSA-N 2 1 249.358 1.197 20 0 BDADMP CCc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000649304866 388589441 /nfs/dbraw/zinc/58/94/41/388589441.db2.gz ZTVKRPCLCMCKKP-BXUZGUMPSA-N 2 1 249.358 1.197 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CCCC[C@@H]21 ZINC000400829271 388604453 /nfs/dbraw/zinc/60/44/53/388604453.db2.gz CNCJIUHOAPWEGM-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CCCC[C@@H]21 ZINC000400829271 388604456 /nfs/dbraw/zinc/60/44/56/388604456.db2.gz CNCJIUHOAPWEGM-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000400829271 388604458 /nfs/dbraw/zinc/60/44/58/388604458.db2.gz CNCJIUHOAPWEGM-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000400829271 388604461 /nfs/dbraw/zinc/60/44/61/388604461.db2.gz CNCJIUHOAPWEGM-MJBXVCDLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOC1 ZINC000246028901 388614653 /nfs/dbraw/zinc/61/46/53/388614653.db2.gz NIMMBYUPDUNYNV-WISYIIOYSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(C)(F)F ZINC000357716212 388552720 /nfs/dbraw/zinc/55/27/20/388552720.db2.gz MKJGTFHOJUJLRE-UWVGGRQHSA-N 2 1 236.306 1.388 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000517712902 388557569 /nfs/dbraw/zinc/55/75/69/388557569.db2.gz QEHOFGURYGXELK-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328158935 388558485 /nfs/dbraw/zinc/55/84/85/388558485.db2.gz GTPSXPFKWPUOHR-BFHYXJOUSA-N 2 1 240.391 1.598 20 0 BDADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000361183620 388559697 /nfs/dbraw/zinc/55/96/97/388559697.db2.gz ZGMDOTDAWXQROL-DYEKYZERSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000361183620 388559700 /nfs/dbraw/zinc/55/97/00/388559700.db2.gz ZGMDOTDAWXQROL-DYEKYZERSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000361183620 388559704 /nfs/dbraw/zinc/55/97/04/388559704.db2.gz ZGMDOTDAWXQROL-DYEKYZERSA-N 2 1 239.407 1.399 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000521063329 388561404 /nfs/dbraw/zinc/56/14/04/388561404.db2.gz QIQCLBQEOHZRDW-LLVKDONJSA-N 2 1 225.311 1.959 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367615123 388565694 /nfs/dbraw/zinc/56/56/94/388565694.db2.gz JXQJRZLVWVEMIZ-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252714350 388574719 /nfs/dbraw/zinc/57/47/19/388574719.db2.gz RTSHKKDBNHYXKO-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1ccsc1C[N@@H+](C)CCOCC[NH3+] ZINC000261574165 135215779 /nfs/dbraw/zinc/21/57/79/135215779.db2.gz JEEGFYJHGJWEAY-UHFFFAOYSA-N 2 1 228.361 1.464 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189307520 388630571 /nfs/dbraw/zinc/63/05/71/388630571.db2.gz MCBKVEJMAGFNAQ-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000530222277 388632779 /nfs/dbraw/zinc/63/27/79/388632779.db2.gz GYSGQQAEDRCASB-CHWSQXEVSA-N 2 1 219.332 1.750 20 0 BDADMP CC[C@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCCC[NH2+]1 ZINC000530223319 388634067 /nfs/dbraw/zinc/63/40/67/388634067.db2.gz TXZXQYINVTUUPC-YIFLHPOLSA-N 2 1 238.375 1.676 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000083397614 388639486 /nfs/dbraw/zinc/63/94/86/388639486.db2.gz NLQZLEHFWRJCRE-STQMWFEESA-N 2 1 228.380 1.589 20 0 BDADMP C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000251086983 388641824 /nfs/dbraw/zinc/64/18/24/388641824.db2.gz HVSZJRVVXBQCTK-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000223055772 388648873 /nfs/dbraw/zinc/64/88/73/388648873.db2.gz WSXZCYPCPYIJKV-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223055772 388648876 /nfs/dbraw/zinc/64/88/76/388648876.db2.gz WSXZCYPCPYIJKV-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223055772 388648877 /nfs/dbraw/zinc/64/88/77/388648877.db2.gz WSXZCYPCPYIJKV-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223482722 388653431 /nfs/dbraw/zinc/65/34/31/388653431.db2.gz VJLQTRDDUNBMOP-TUAOUCFPSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH+]1C ZINC000246875870 388653943 /nfs/dbraw/zinc/65/39/43/388653943.db2.gz DSRUCNLBJNKYHG-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000246875870 388653946 /nfs/dbraw/zinc/65/39/46/388653946.db2.gz DSRUCNLBJNKYHG-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000246875870 388653947 /nfs/dbraw/zinc/65/39/47/388653947.db2.gz DSRUCNLBJNKYHG-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000246875870 388653948 /nfs/dbraw/zinc/65/39/48/388653948.db2.gz DSRUCNLBJNKYHG-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000246875870 388653951 /nfs/dbraw/zinc/65/39/51/388653951.db2.gz DSRUCNLBJNKYHG-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC000247185818 388659812 /nfs/dbraw/zinc/65/98/12/388659812.db2.gz BMYLVIBLLSEFOK-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247136294 388659882 /nfs/dbraw/zinc/65/98/82/388659882.db2.gz QODLWGQMDAFTSR-UTUOFQBUSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247136294 388659883 /nfs/dbraw/zinc/65/98/83/388659883.db2.gz QODLWGQMDAFTSR-UTUOFQBUSA-N 2 1 214.353 1.220 20 0 BDADMP COC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124324933 388662556 /nfs/dbraw/zinc/66/25/56/388662556.db2.gz JQZQZIQXUXQWTA-AGIUHOORSA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124324933 388662557 /nfs/dbraw/zinc/66/25/57/388662557.db2.gz JQZQZIQXUXQWTA-AGIUHOORSA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124324933 388662558 /nfs/dbraw/zinc/66/25/58/388662558.db2.gz JQZQZIQXUXQWTA-AGIUHOORSA-N 2 1 228.380 1.683 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124324933 388662559 /nfs/dbraw/zinc/66/25/59/388662559.db2.gz JQZQZIQXUXQWTA-AGIUHOORSA-N 2 1 228.380 1.683 20 0 BDADMP CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247391357 388663097 /nfs/dbraw/zinc/66/30/97/388663097.db2.gz VXDYQOGBMBFZCG-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247391357 388663098 /nfs/dbraw/zinc/66/30/98/388663098.db2.gz VXDYQOGBMBFZCG-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247391357 388663101 /nfs/dbraw/zinc/66/31/01/388663101.db2.gz VXDYQOGBMBFZCG-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247391357 388663103 /nfs/dbraw/zinc/66/31/03/388663103.db2.gz VXDYQOGBMBFZCG-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000220705941 388663418 /nfs/dbraw/zinc/66/34/18/388663418.db2.gz GOLXBINVIQAYIH-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000249845496 388734514 /nfs/dbraw/zinc/73/45/14/388734514.db2.gz OIDIIGHFMAOXTC-BFHYXJOUSA-N 2 1 242.407 1.979 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000249845496 388734515 /nfs/dbraw/zinc/73/45/15/388734515.db2.gz OIDIIGHFMAOXTC-BFHYXJOUSA-N 2 1 242.407 1.979 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)COC)C1 ZINC000249849086 388734553 /nfs/dbraw/zinc/73/45/53/388734553.db2.gz OZZAPYVEVAEXSY-UONOGXRCSA-N 2 1 242.407 1.933 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249849086 388734555 /nfs/dbraw/zinc/73/45/55/388734555.db2.gz OZZAPYVEVAEXSY-UONOGXRCSA-N 2 1 242.407 1.933 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249849086 388734557 /nfs/dbraw/zinc/73/45/57/388734557.db2.gz OZZAPYVEVAEXSY-UONOGXRCSA-N 2 1 242.407 1.933 20 0 BDADMP Cc1cccc(N2CC[C@H]([NH3+])[C@@H](C)C2)[nH+]1 ZINC000227078438 388740082 /nfs/dbraw/zinc/74/00/82/388740082.db2.gz RVIKRALGWLUYKM-ONGXEEELSA-N 2 1 205.305 1.564 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000249162692 388710081 /nfs/dbraw/zinc/71/00/81/388710081.db2.gz ZMIIQAZRDIEWJS-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000249162692 388710082 /nfs/dbraw/zinc/71/00/82/388710082.db2.gz ZMIIQAZRDIEWJS-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@@](C)(O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249434906 388722288 /nfs/dbraw/zinc/72/22/88/388722288.db2.gz ZZOAPIMSXOIOIT-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@](C)(O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000249434906 388722290 /nfs/dbraw/zinc/72/22/90/388722290.db2.gz ZZOAPIMSXOIOIT-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@@](C)(O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249434906 388722291 /nfs/dbraw/zinc/72/22/91/388722291.db2.gz ZZOAPIMSXOIOIT-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CSC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000249487512 388724817 /nfs/dbraw/zinc/72/48/17/388724817.db2.gz XKZRZIXKOGZODC-IJLUTSLNSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000249487512 388724819 /nfs/dbraw/zinc/72/48/19/388724819.db2.gz XKZRZIXKOGZODC-IJLUTSLNSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000249487512 388724821 /nfs/dbraw/zinc/72/48/21/388724821.db2.gz XKZRZIXKOGZODC-IJLUTSLNSA-N 2 1 246.420 1.125 20 0 BDADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249487512 388724822 /nfs/dbraw/zinc/72/48/22/388724822.db2.gz XKZRZIXKOGZODC-IJLUTSLNSA-N 2 1 246.420 1.125 20 0 BDADMP C(C[NH+]1CCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000540397745 388803973 /nfs/dbraw/zinc/80/39/73/388803973.db2.gz LMQMEDICHLVJMV-UHFFFAOYSA-N 2 1 237.391 1.156 20 0 BDADMP CCSCC[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000128921559 388804774 /nfs/dbraw/zinc/80/47/74/388804774.db2.gz ZFQDMBDQFDNNSA-LLVKDONJSA-N 2 1 216.394 1.671 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2)CC[N@H+]1C ZINC000252203141 388762297 /nfs/dbraw/zinc/76/22/97/388762297.db2.gz WRECUQSEKWUBPY-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000252710958 388773361 /nfs/dbraw/zinc/77/33/61/388773361.db2.gz IDGYWTNNEKRUAB-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2)[C@H](C)C1 ZINC000252716268 388774838 /nfs/dbraw/zinc/77/48/38/388774838.db2.gz YAHRIYBSWOHYLL-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000228757920 388821471 /nfs/dbraw/zinc/82/14/71/388821471.db2.gz WQUJYQLDJUORIL-CQSZACIVSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000228757920 388821474 /nfs/dbraw/zinc/82/14/74/388821474.db2.gz WQUJYQLDJUORIL-CQSZACIVSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@]1(C)CO ZINC000554811768 388831006 /nfs/dbraw/zinc/83/10/06/388831006.db2.gz JORUGTUZYLEPRX-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000300420433 388836652 /nfs/dbraw/zinc/83/66/52/388836652.db2.gz ITMNPIWPJUPVRD-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000069606454 388851994 /nfs/dbraw/zinc/85/19/94/388851994.db2.gz CLYMYOINCGVENM-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129643811 388861092 /nfs/dbraw/zinc/86/10/92/388861092.db2.gz GJGFFLYMULFCIK-QWHCGFSZSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)CC[N@H+]1C ZINC000094722726 388868082 /nfs/dbraw/zinc/86/80/82/388868082.db2.gz VCZOAAWYHUSMKC-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCOCC2CC2)CC[N@H+]1C ZINC000129821636 388871923 /nfs/dbraw/zinc/87/19/23/388871923.db2.gz OFSXUOFVNNYPLX-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000565718152 388966335 /nfs/dbraw/zinc/96/63/35/388966335.db2.gz HKONPHPLPALHIG-QJPTWQEYSA-N 2 1 241.379 1.055 20 0 BDADMP COC[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268839065 389004894 /nfs/dbraw/zinc/00/48/94/389004894.db2.gz HHQZXAPCVFBPQG-JTQLQIEISA-N 2 1 211.309 1.206 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271877673 389026757 /nfs/dbraw/zinc/02/67/57/389026757.db2.gz ZYKZBUDYLSOKJE-UHFFFAOYSA-N 2 1 234.347 1.378 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000275193987 389053544 /nfs/dbraw/zinc/05/35/44/389053544.db2.gz PHCOBUVCNHPIFO-SECBINFHSA-N 2 1 219.292 1.265 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cn[nH]c1 ZINC000275169695 389054830 /nfs/dbraw/zinc/05/48/30/389054830.db2.gz KTQRUTRUKPHJOG-CMPLNLGQSA-N 2 1 222.336 1.545 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cn[nH]c1 ZINC000275169695 389054824 /nfs/dbraw/zinc/05/48/24/389054824.db2.gz KTQRUTRUKPHJOG-CMPLNLGQSA-N 2 1 222.336 1.545 20 0 BDADMP C[C@@H]([NH2+]CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491243 389034308 /nfs/dbraw/zinc/03/43/08/389034308.db2.gz NBQBNOSYYBXPDO-UKRRQHHQSA-N 2 1 248.370 1.479 20 0 BDADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400481805 533499391 /nfs/dbraw/zinc/49/93/91/533499391.db2.gz FTBIXFRIICFLOK-SWLSCSKDSA-N 2 1 248.370 1.968 20 0 BDADMP C[NH2+]CCC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000070190199 132230444 /nfs/dbraw/zinc/23/04/44/132230444.db2.gz DCKCIKCCPGTPNQ-UHFFFAOYSA-N 2 1 248.374 1.919 20 0 BDADMP CCc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)nc(C)[nH+]1 ZINC000094342370 132239119 /nfs/dbraw/zinc/23/91/19/132239119.db2.gz WXTXHUPTHXNPKU-SKDRFNHKSA-N 2 1 234.347 1.521 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC000053704823 132363465 /nfs/dbraw/zinc/36/34/65/132363465.db2.gz MYNQOXCVBFMRKL-NWDGAFQWSA-N 2 1 219.332 1.954 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000253198899 133653583 /nfs/dbraw/zinc/65/35/83/133653583.db2.gz BBHURMWWUXPILH-DGCLKSJQSA-N 2 1 226.364 1.330 20 0 BDADMP COc1c(O)cccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347117647 133804735 /nfs/dbraw/zinc/80/47/35/133804735.db2.gz WWZOVSCBXFXEOH-SNVBAGLBSA-N 2 1 236.315 1.181 20 0 BDADMP COc1c(O)cccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347117647 133804736 /nfs/dbraw/zinc/80/47/36/133804736.db2.gz WWZOVSCBXFXEOH-SNVBAGLBSA-N 2 1 236.315 1.181 20 0 BDADMP Cc1n[nH]cc1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000335970973 134029847 /nfs/dbraw/zinc/02/98/47/134029847.db2.gz JORNIBVPOPWOOP-WCQYABFASA-N 2 1 234.347 1.244 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000352015868 134036471 /nfs/dbraw/zinc/03/64/71/134036471.db2.gz SNKAEYNZGOBMSI-UHFFFAOYSA-N 2 1 248.374 1.559 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335989760 134039842 /nfs/dbraw/zinc/03/98/42/134039842.db2.gz BSRJEUHRYOAYBA-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335989760 134039843 /nfs/dbraw/zinc/03/98/43/134039843.db2.gz BSRJEUHRYOAYBA-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@@H]1[NH3+] ZINC000336055830 134066334 /nfs/dbraw/zinc/06/63/34/134066334.db2.gz PIQNPUOWVIIDOJ-FZMZJTMJSA-N 2 1 245.370 1.824 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3=CCCOC3)C2)C1 ZINC000336113311 134087369 /nfs/dbraw/zinc/08/73/69/134087369.db2.gz ZZUXPKYXEAEZLS-CQSZACIVSA-N 2 1 236.359 1.361 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3=CCCOC3)C2)C1 ZINC000336113311 134087370 /nfs/dbraw/zinc/08/73/70/134087370.db2.gz ZZUXPKYXEAEZLS-CQSZACIVSA-N 2 1 236.359 1.361 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000219715757 134290682 /nfs/dbraw/zinc/29/06/82/134290682.db2.gz HBEXVRPDLFUEGG-GFCCVEGCSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)n1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000219715757 134290683 /nfs/dbraw/zinc/29/06/83/134290683.db2.gz HBEXVRPDLFUEGG-GFCCVEGCSA-N 2 1 236.363 1.635 20 0 BDADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC000177302944 134299421 /nfs/dbraw/zinc/29/94/21/134299421.db2.gz JSQQLKNZPOZIKC-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223332575 134338560 /nfs/dbraw/zinc/33/85/60/134338560.db2.gz WZBGEEUIMDKZOT-YVECIDJPSA-N 2 1 228.380 1.587 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000223820242 134343219 /nfs/dbraw/zinc/34/32/19/134343219.db2.gz BQRPEGPHLAZCMZ-KBPBESRZSA-N 2 1 238.375 1.628 20 0 BDADMP c1cn(CCC[N@H+]2CC[C@@]3(CCOC3)C2)cn1 ZINC000183186291 134348764 /nfs/dbraw/zinc/34/87/64/134348764.db2.gz VQARSJDLARPPHU-CYBMUJFWSA-N 2 1 235.331 1.386 20 0 BDADMP CC(C)n1cc(C[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000226243089 134362267 /nfs/dbraw/zinc/36/22/67/134362267.db2.gz SZXUXCCCLQRZFQ-GFCCVEGCSA-N 2 1 238.379 1.894 20 0 BDADMP COCCCCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000226417660 134365541 /nfs/dbraw/zinc/36/55/41/134365541.db2.gz XGRGUFYAIMNEJE-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP COCCCCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000226417660 134365542 /nfs/dbraw/zinc/36/55/42/134365542.db2.gz XGRGUFYAIMNEJE-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226539711 134366011 /nfs/dbraw/zinc/36/60/11/134366011.db2.gz LGRBKLUTXMBCKX-HBNTYKKESA-N 2 1 200.326 1.081 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226864139 134370357 /nfs/dbraw/zinc/37/03/57/134370357.db2.gz SYNXIPMXSDPGEW-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCCO)CC[C@H]21 ZINC000227342750 134378087 /nfs/dbraw/zinc/37/80/87/134378087.db2.gz JZZMLWICWPFGCU-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCCO)CC[C@H]21 ZINC000227342750 134378088 /nfs/dbraw/zinc/37/80/88/134378088.db2.gz JZZMLWICWPFGCU-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCO)CC[C@H]21 ZINC000227342750 134378089 /nfs/dbraw/zinc/37/80/89/134378089.db2.gz JZZMLWICWPFGCU-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1CO ZINC000248917552 135026174 /nfs/dbraw/zinc/02/61/74/135026174.db2.gz KCNOYJUZTFCMEO-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H]1CO ZINC000248917552 135026176 /nfs/dbraw/zinc/02/61/76/135026176.db2.gz KCNOYJUZTFCMEO-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H]1CO ZINC000248917552 135026179 /nfs/dbraw/zinc/02/61/79/135026179.db2.gz KCNOYJUZTFCMEO-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249052761 135031353 /nfs/dbraw/zinc/03/13/53/135031353.db2.gz XUXIEZKAWCCLOE-RKFYDKJMSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1O ZINC000249131794 135034511 /nfs/dbraw/zinc/03/45/11/135034511.db2.gz LVWXDBGESYONLL-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@@H]1O ZINC000249131794 135034513 /nfs/dbraw/zinc/03/45/13/135034513.db2.gz LVWXDBGESYONLL-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@@H]1O ZINC000249131794 135034514 /nfs/dbraw/zinc/03/45/14/135034514.db2.gz LVWXDBGESYONLL-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000250456037 135054697 /nfs/dbraw/zinc/05/46/97/135054697.db2.gz IKABRSCPQHLURP-IHRRRGAJSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1nccn1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250842330 135060114 /nfs/dbraw/zinc/06/01/14/135060114.db2.gz VMIRXLGNDBKONX-KBPBESRZSA-N 2 1 248.374 1.408 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250842330 135060117 /nfs/dbraw/zinc/06/01/17/135060117.db2.gz VMIRXLGNDBKONX-KBPBESRZSA-N 3 1 248.374 1.408 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250842330 135060120 /nfs/dbraw/zinc/06/01/20/135060120.db2.gz VMIRXLGNDBKONX-KBPBESRZSA-N 3 1 248.374 1.408 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251001557 135061089 /nfs/dbraw/zinc/06/10/89/135061089.db2.gz PRJKEOUJVZLPTB-SRVKXCTJSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251169116 135065605 /nfs/dbraw/zinc/06/56/05/135065605.db2.gz DOOALPWVSSBPNZ-RDBSUJKOSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251169116 135065608 /nfs/dbraw/zinc/06/56/08/135065608.db2.gz DOOALPWVSSBPNZ-RDBSUJKOSA-N 3 1 239.407 1.543 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251169116 135065610 /nfs/dbraw/zinc/06/56/10/135065610.db2.gz DOOALPWVSSBPNZ-RDBSUJKOSA-N 3 1 239.407 1.543 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000251455483 135069897 /nfs/dbraw/zinc/06/98/97/135069897.db2.gz CCOCOJRQQBETMJ-RFQIPJPRSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCCO1 ZINC000251942346 135081014 /nfs/dbraw/zinc/08/10/14/135081014.db2.gz ZSCGDHLMPDFEAZ-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCCOC1 ZINC000252107581 135083378 /nfs/dbraw/zinc/08/33/78/135083378.db2.gz JCVXEOKSMWMAOC-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOCC[NH3+])[C@H]1C ZINC000252122242 135083594 /nfs/dbraw/zinc/08/35/94/135083594.db2.gz JNVGUBHXAMGNHE-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(F)c1 ZINC000086435366 135084328 /nfs/dbraw/zinc/08/43/28/135084328.db2.gz XPOGHDKALDEWKA-UHFFFAOYSA-N 2 1 226.295 1.233 20 0 BDADMP C1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CS1 ZINC000252388586 135087488 /nfs/dbraw/zinc/08/74/88/135087488.db2.gz FUVZZTOLLKWTFS-GRYCIOLGSA-N 2 1 226.389 1.708 20 0 BDADMP C1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CS1 ZINC000252388586 135087489 /nfs/dbraw/zinc/08/74/89/135087489.db2.gz FUVZZTOLLKWTFS-GRYCIOLGSA-N 2 1 226.389 1.708 20 0 BDADMP CC(C)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539037 135092660 /nfs/dbraw/zinc/09/26/60/135092660.db2.gz BCOWBZSNNIOVQM-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539037 135092663 /nfs/dbraw/zinc/09/26/63/135092663.db2.gz BCOWBZSNNIOVQM-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CS1 ZINC000251673895 135093073 /nfs/dbraw/zinc/09/30/73/135093073.db2.gz AFHKPTXINZJKDM-KKOKHZNYSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CS1 ZINC000251673895 135093076 /nfs/dbraw/zinc/09/30/76/135093076.db2.gz AFHKPTXINZJKDM-KKOKHZNYSA-N 2 1 228.405 1.953 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252733291 135104848 /nfs/dbraw/zinc/10/48/48/135104848.db2.gz YSKLKVARBULHFK-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252790401 135111002 /nfs/dbraw/zinc/11/10/02/135111002.db2.gz YUBOLZSXFJALAC-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000261642874 135111354 /nfs/dbraw/zinc/11/13/54/135111354.db2.gz GQCMVPRDSPCLGS-GFCCVEGCSA-N 2 1 219.332 1.440 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252842105 135113094 /nfs/dbraw/zinc/11/30/94/135113094.db2.gz CKRMYMMEBZFVAF-QEJZJMRPSA-N 2 1 245.370 1.949 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262068726 135114199 /nfs/dbraw/zinc/11/41/99/135114199.db2.gz BTPDSHHSUYENLY-SNVBAGLBSA-N 2 1 236.306 1.329 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000253016288 135119264 /nfs/dbraw/zinc/11/92/64/135119264.db2.gz HETXUOGAPBDYNE-GRYCIOLGSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000253016288 135119265 /nfs/dbraw/zinc/11/92/65/135119265.db2.gz HETXUOGAPBDYNE-GRYCIOLGSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)O1 ZINC000253312525 135126402 /nfs/dbraw/zinc/12/64/02/135126402.db2.gz WABYMKJPPKYLSU-LOWDOPEQSA-N 2 1 226.364 1.484 20 0 BDADMP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000258928202 135135763 /nfs/dbraw/zinc/13/57/63/135135763.db2.gz VELBCPNJQOLBJJ-UHFFFAOYSA-N 2 1 238.331 1.531 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257643786 135137811 /nfs/dbraw/zinc/13/78/11/135137811.db2.gz BODOVNKPDDCQLX-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257643786 135137812 /nfs/dbraw/zinc/13/78/12/135137812.db2.gz BODOVNKPDDCQLX-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP C[NH2+]CCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000087472572 135143655 /nfs/dbraw/zinc/14/36/55/135143655.db2.gz ACXQLODOWBIGGA-ZDUSSCGKSA-N 3 1 227.396 1.402 20 0 BDADMP Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000265994977 135146520 /nfs/dbraw/zinc/14/65/20/135146520.db2.gz OIRKWXOLXYPLSZ-ZDUSSCGKSA-N 2 1 248.374 1.871 20 0 BDADMP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000265994977 135146521 /nfs/dbraw/zinc/14/65/21/135146521.db2.gz OIRKWXOLXYPLSZ-ZDUSSCGKSA-N 2 1 248.374 1.871 20 0 BDADMP CC[NH2+]CCNc1cc(C)[nH+]c(CC)n1 ZINC000261529342 135155825 /nfs/dbraw/zinc/15/58/25/135155825.db2.gz APEIPXYWXYYISX-UHFFFAOYSA-N 2 1 208.309 1.369 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCC[NH2+]CC1 ZINC000261530292 135157661 /nfs/dbraw/zinc/15/76/61/135157661.db2.gz CGAIQBLTQDXZFI-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cccnc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087647206 135161052 /nfs/dbraw/zinc/16/10/52/135161052.db2.gz WYSKEABXYYQPOZ-LBPRGKRZSA-N 2 1 219.332 1.479 20 0 BDADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000087653307 135161163 /nfs/dbraw/zinc/16/11/63/135161163.db2.gz MRHOFWMNRXCUGJ-UHFFFAOYSA-N 2 1 220.316 1.617 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000261533057 135164446 /nfs/dbraw/zinc/16/44/46/135164446.db2.gz GLEZBNJXBJFVSF-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000261533551 135164958 /nfs/dbraw/zinc/16/49/58/135164958.db2.gz KWTZYGLJKNMUHH-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCC2)CCO1 ZINC000261533551 135164960 /nfs/dbraw/zinc/16/49/60/135164960.db2.gz KWTZYGLJKNMUHH-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](C)C2)CC[NH2+]1 ZINC000261534361 135166860 /nfs/dbraw/zinc/16/68/60/135166860.db2.gz MCHVJSQFGCFSFL-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000261536265 135171399 /nfs/dbraw/zinc/17/13/99/135171399.db2.gz RASAXBHAQKONKR-NEPJUHHUSA-N 2 1 222.357 1.789 20 0 BDADMP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000261536265 135171401 /nfs/dbraw/zinc/17/14/01/135171401.db2.gz RASAXBHAQKONKR-NEPJUHHUSA-N 2 1 222.357 1.789 20 0 BDADMP CS[C@H]1CCCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261536759 135172091 /nfs/dbraw/zinc/17/20/91/135172091.db2.gz SUZZBPPFOKKCFO-JTQLQIEISA-N 2 1 216.394 1.941 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000261537410 135173984 /nfs/dbraw/zinc/17/39/84/135173984.db2.gz VMNIITUBYNURSD-VXGBXAGGSA-N 2 1 212.337 1.084 20 0 BDADMP FC(F)(F)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261538255 135175365 /nfs/dbraw/zinc/17/53/65/135175365.db2.gz XOOKIDVEOIXBTD-IUCAKERBSA-N 2 1 222.254 1.623 20 0 BDADMP FC(F)(F)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261538255 135175366 /nfs/dbraw/zinc/17/53/66/135175366.db2.gz XOOKIDVEOIXBTD-IUCAKERBSA-N 2 1 222.254 1.623 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261539266 135178168 /nfs/dbraw/zinc/17/81/68/135178168.db2.gz BZNSXUIEKIOBLO-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000261539950 135178593 /nfs/dbraw/zinc/17/85/93/135178593.db2.gz CSPHSWJNPDHTAP-AAEUAGOBSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000261539950 135178595 /nfs/dbraw/zinc/17/85/95/135178595.db2.gz CSPHSWJNPDHTAP-AAEUAGOBSA-N 2 1 236.363 1.633 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261542126 135182729 /nfs/dbraw/zinc/18/27/29/135182729.db2.gz BVIWQPVHFLACGH-VZZFWQQMSA-N 2 1 231.343 1.812 20 0 BDADMP COCC(C)(C)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261543139 135183674 /nfs/dbraw/zinc/18/36/74/135183674.db2.gz HNEVUVQPIKLQMG-NSHDSACASA-N 2 1 214.353 1.330 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[C@H]([NH3+])C2)c1C ZINC000261551051 135189856 /nfs/dbraw/zinc/18/98/56/135189856.db2.gz RRIPKSXMBPKJLA-ZYHUDNBSSA-N 2 1 249.358 1.486 20 0 BDADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261553877 135193958 /nfs/dbraw/zinc/19/39/58/135193958.db2.gz OJIYMEXOZSVMDN-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H](O)C[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261553875 135194114 /nfs/dbraw/zinc/19/41/14/135194114.db2.gz OJIYMEXOZSVMDN-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557186 135198217 /nfs/dbraw/zinc/19/82/17/135198217.db2.gz RMKGOUANGOQELV-QWHCGFSZSA-N 2 1 232.327 1.434 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261557186 135198218 /nfs/dbraw/zinc/19/82/18/135198218.db2.gz RMKGOUANGOQELV-QWHCGFSZSA-N 2 1 232.327 1.434 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261558069 135198474 /nfs/dbraw/zinc/19/84/74/135198474.db2.gz SFEDBQYIZBLQIG-NEPJUHHUSA-N 2 1 235.331 1.333 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261558069 135198476 /nfs/dbraw/zinc/19/84/76/135198476.db2.gz SFEDBQYIZBLQIG-NEPJUHHUSA-N 2 1 235.331 1.333 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261558072 135198657 /nfs/dbraw/zinc/19/86/57/135198657.db2.gz SFEDBQYIZBLQIG-VXGBXAGGSA-N 2 1 235.331 1.333 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261558072 135198658 /nfs/dbraw/zinc/19/86/58/135198658.db2.gz SFEDBQYIZBLQIG-VXGBXAGGSA-N 2 1 235.331 1.333 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000261560068 135200445 /nfs/dbraw/zinc/20/04/45/135200445.db2.gz ZMCNCLMPIYBPAL-WCQYABFASA-N 2 1 208.349 1.718 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261559686 135200655 /nfs/dbraw/zinc/20/06/55/135200655.db2.gz ZFRYNLIGGIIYKG-MNOVXSKESA-N 2 1 214.353 1.328 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc(F)c2)CCC1 ZINC000261561775 135202662 /nfs/dbraw/zinc/20/26/62/135202662.db2.gz AUIGTDOAFBZEAL-UHFFFAOYSA-N 2 1 208.280 1.797 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261561580 135202781 /nfs/dbraw/zinc/20/27/81/135202781.db2.gz FZCDKXOMDNCTNG-UONOGXRCSA-N 2 1 246.354 1.737 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261561580 135202785 /nfs/dbraw/zinc/20/27/85/135202785.db2.gz FZCDKXOMDNCTNG-UONOGXRCSA-N 2 1 246.354 1.737 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000261564090 135205808 /nfs/dbraw/zinc/20/58/08/135205808.db2.gz CFXXRBKBBFGQAH-NSHDSACASA-N 2 1 214.353 1.330 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261565400 135207813 /nfs/dbraw/zinc/20/78/13/135207813.db2.gz YHYFIIUKHJNRIA-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261565400 135207815 /nfs/dbraw/zinc/20/78/15/135207815.db2.gz YHYFIIUKHJNRIA-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cn1cc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261569891 135212060 /nfs/dbraw/zinc/21/20/60/135212060.db2.gz KCFMJVFORBCBOF-TZMCWYRMSA-N 2 1 248.374 1.557 20 0 BDADMP CCc1nc(NC[C@H]2CCC[NH2+]2)cc(C)[nH+]1 ZINC000261570084 135212423 /nfs/dbraw/zinc/21/24/23/135212423.db2.gz GPBLPMFTNCXUDE-SNVBAGLBSA-N 2 1 220.320 1.511 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261575404 135216887 /nfs/dbraw/zinc/21/68/87/135216887.db2.gz JQUFUUMPEVVNJQ-SRVKXCTJSA-N 2 1 217.316 1.564 20 0 BDADMP Cn1cc([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cn1 ZINC000261583405 135224098 /nfs/dbraw/zinc/22/40/98/135224098.db2.gz RRUWPGLOOKLMPY-ZIAGYGMSSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1cc([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cn1 ZINC000261583405 135224099 /nfs/dbraw/zinc/22/40/99/135224099.db2.gz RRUWPGLOOKLMPY-ZIAGYGMSSA-N 2 1 248.374 1.557 20 0 BDADMP COc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261584042 135224757 /nfs/dbraw/zinc/22/47/57/135224757.db2.gz SAOPIEFKHCQPEO-YUTCNCBUSA-N 2 1 246.354 1.864 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000261592093 135232814 /nfs/dbraw/zinc/23/28/14/135232814.db2.gz YEZWVTGXAMXKMB-ZYHUDNBSSA-N 2 1 248.326 1.503 20 0 BDADMP CC[C@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC000261596183 135235769 /nfs/dbraw/zinc/23/57/69/135235769.db2.gz YOYVULYDGFZLCO-SRVKXCTJSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC000261596183 135235770 /nfs/dbraw/zinc/23/57/70/135235770.db2.gz YOYVULYDGFZLCO-SRVKXCTJSA-N 2 1 212.337 1.225 20 0 BDADMP COc1ccsc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000261596815 135235805 /nfs/dbraw/zinc/23/58/05/135235805.db2.gz YXOPRGUBMRSKJL-SECBINFHSA-N 2 1 226.345 1.537 20 0 BDADMP CCC[N@H+](C[C@@H](C)[NH3+])C[C@H]1CCCCO1 ZINC000261597454 135236736 /nfs/dbraw/zinc/23/67/36/135236736.db2.gz ZBOFNCOLHONRMP-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CCC[N@@H+](C[C@@H](C)[NH3+])C[C@H]1CCCCO1 ZINC000261597454 135236738 /nfs/dbraw/zinc/23/67/38/135236738.db2.gz ZBOFNCOLHONRMP-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CCC[N@H+](C[C@@H](C)[NH3+])C[C@@H]1CCCCO1 ZINC000261597449 135236980 /nfs/dbraw/zinc/23/69/80/135236980.db2.gz ZBOFNCOLHONRMP-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP CCC[N@@H+](C[C@@H](C)[NH3+])C[C@@H]1CCCCO1 ZINC000261597449 135236982 /nfs/dbraw/zinc/23/69/82/135236982.db2.gz ZBOFNCOLHONRMP-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000261598484 135237153 /nfs/dbraw/zinc/23/71/53/135237153.db2.gz ZOYQROJPYPPABJ-GWCFXTLKSA-N 2 1 222.307 1.913 20 0 BDADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)OCO2 ZINC000261547809 135240904 /nfs/dbraw/zinc/24/09/04/135240904.db2.gz IOSIVNRCBOASQF-VIFPVBQESA-N 2 1 236.315 1.803 20 0 BDADMP C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261547702 135241070 /nfs/dbraw/zinc/24/10/70/135241070.db2.gz IOQJGLFXHJDNTG-BFHYXJOUSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)OCO2 ZINC000261547808 135241212 /nfs/dbraw/zinc/24/12/12/135241212.db2.gz IOSIVNRCBOASQF-SECBINFHSA-N 2 1 236.315 1.803 20 0 BDADMP C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261547704 135241239 /nfs/dbraw/zinc/24/12/39/135241239.db2.gz IOQJGLFXHJDNTG-MELADBBJSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@]1(C)COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261644350 135242379 /nfs/dbraw/zinc/24/23/79/135242379.db2.gz AOJSWMVHCPLJAA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@]1(C)COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261644350 135242380 /nfs/dbraw/zinc/24/23/80/135242380.db2.gz AOJSWMVHCPLJAA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000084419910 135248751 /nfs/dbraw/zinc/24/87/51/135248751.db2.gz RCTGPEFIWDMRKD-CYBMUJFWSA-N 2 1 225.380 1.012 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000084419910 135248752 /nfs/dbraw/zinc/24/87/52/135248752.db2.gz RCTGPEFIWDMRKD-CYBMUJFWSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC[NH2+]C1 ZINC000261867830 135258303 /nfs/dbraw/zinc/25/83/03/135258303.db2.gz ODHSSCITLFOKPP-DGCLKSJQSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](C)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261900370 135261575 /nfs/dbraw/zinc/26/15/75/135261575.db2.gz VWJACXDCKHZOKI-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261922863 135263462 /nfs/dbraw/zinc/26/34/62/135263462.db2.gz KRECXHWALBYCLY-QWRGUYRKSA-N 2 1 242.363 1.245 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261922864 135263730 /nfs/dbraw/zinc/26/37/30/135263730.db2.gz KRECXHWALBYCLY-WDEREUQCSA-N 2 1 242.363 1.245 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261935666 135264573 /nfs/dbraw/zinc/26/45/73/135264573.db2.gz LZEPCXKIAALOQD-RYUDHWBXSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261935666 135264574 /nfs/dbraw/zinc/26/45/74/135264574.db2.gz LZEPCXKIAALOQD-RYUDHWBXSA-N 2 1 236.363 1.633 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261956367 135266237 /nfs/dbraw/zinc/26/62/37/135266237.db2.gz OSVPZATYNBMPKC-SDDRHHMPSA-N 2 1 226.364 1.328 20 0 BDADMP Oc1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261995597 135270413 /nfs/dbraw/zinc/27/04/13/135270413.db2.gz SVHHJFWKTGOYFH-GFCCVEGCSA-N 2 1 246.354 1.750 20 0 BDADMP Oc1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261995597 135270414 /nfs/dbraw/zinc/27/04/14/135270414.db2.gz SVHHJFWKTGOYFH-GFCCVEGCSA-N 2 1 246.354 1.750 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262006826 135272382 /nfs/dbraw/zinc/27/23/82/135272382.db2.gz LWVNYZFQGFZIEJ-ZIAGYGMSSA-N 2 1 239.407 1.260 20 0 BDADMP c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)co1 ZINC000262021920 135274202 /nfs/dbraw/zinc/27/42/02/135274202.db2.gz WEVBDYLAVXFYLD-ZDUSSCGKSA-N 2 1 235.331 1.639 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CC(C)(C)[NH3+])C[C@@H]1C ZINC000262041771 135274858 /nfs/dbraw/zinc/27/48/58/135274858.db2.gz YJEXNTXNNPFRGM-RYUDHWBXSA-N 2 1 227.396 1.528 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262129493 135280377 /nfs/dbraw/zinc/28/03/77/135280377.db2.gz NTRIIWMJRVOCAS-VHSXEESVSA-N 2 1 236.306 1.327 20 0 BDADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262122161 135280468 /nfs/dbraw/zinc/28/04/68/135280468.db2.gz XIYWXXBQNHEAML-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262122161 135280470 /nfs/dbraw/zinc/28/04/70/135280470.db2.gz XIYWXXBQNHEAML-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CCc1nc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000262310739 135292441 /nfs/dbraw/zinc/29/24/41/135292441.db2.gz YYJUPTAGJJJBEU-ONGXEEELSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000342583414 135293097 /nfs/dbraw/zinc/29/30/97/135293097.db2.gz AGZRJCJGZNXQGU-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342583414 135293098 /nfs/dbraw/zinc/29/30/98/135293098.db2.gz AGZRJCJGZNXQGU-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CCC1CC([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000342704294 135311985 /nfs/dbraw/zinc/31/19/85/135311985.db2.gz XAOAROGFHQRAIX-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP NC(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000262790090 135318369 /nfs/dbraw/zinc/31/83/69/135318369.db2.gz KKZFOIIRNXRUMJ-NSHDSACASA-N 2 1 224.352 1.267 20 0 BDADMP C[C@H]1C[N@H+](C)C[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000343036221 135351373 /nfs/dbraw/zinc/35/13/73/135351373.db2.gz ZMVDUVBZRCFEOL-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000343036221 135351375 /nfs/dbraw/zinc/35/13/75/135351375.db2.gz ZMVDUVBZRCFEOL-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000343036221 135351377 /nfs/dbraw/zinc/35/13/77/135351377.db2.gz ZMVDUVBZRCFEOL-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1COCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000334370662 135375200 /nfs/dbraw/zinc/37/52/00/135375200.db2.gz PANMSGXEJFWNRP-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1COCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000334370662 135375201 /nfs/dbraw/zinc/37/52/01/135375201.db2.gz PANMSGXEJFWNRP-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1COCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000334370662 135375203 /nfs/dbraw/zinc/37/52/03/135375203.db2.gz PANMSGXEJFWNRP-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)CC[C@@H]1C ZINC000299919809 135381780 /nfs/dbraw/zinc/38/17/80/135381780.db2.gz XEHDDTCYRCLPHF-YNEHKIRRSA-N 2 1 228.380 1.717 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)CC[C@@H]1C ZINC000299919809 135381782 /nfs/dbraw/zinc/38/17/82/135381782.db2.gz XEHDDTCYRCLPHF-YNEHKIRRSA-N 2 1 228.380 1.717 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000089147735 135531430 /nfs/dbraw/zinc/53/14/30/135531430.db2.gz IPFOZEKAYJUQQA-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP CS[C@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC000090725704 135553544 /nfs/dbraw/zinc/55/35/44/135553544.db2.gz TYDKBVCLNHEAHM-SECBINFHSA-N 2 1 202.367 1.422 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000347748728 136010509 /nfs/dbraw/zinc/01/05/09/136010509.db2.gz MPOGDALYVKHSNC-UHFFFAOYSA-N 2 1 236.363 1.415 20 0 BDADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000348102004 136036665 /nfs/dbraw/zinc/03/66/65/136036665.db2.gz KFTMPLWJZOQZMY-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C(C)C)[C@H](C)C1 ZINC000348270738 136058710 /nfs/dbraw/zinc/05/87/10/136058710.db2.gz HTOZOMDPEONFDZ-MCIONIFRSA-N 2 1 242.407 1.571 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000335569827 136109455 /nfs/dbraw/zinc/10/94/55/136109455.db2.gz ICJJXQLFWXAKCP-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCO3)C2)C1 ZINC000335569827 136109456 /nfs/dbraw/zinc/10/94/56/136109456.db2.gz ICJJXQLFWXAKCP-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCO3)C2)C1 ZINC000335569827 136109457 /nfs/dbraw/zinc/10/94/57/136109457.db2.gz ICJJXQLFWXAKCP-QWHCGFSZSA-N 2 1 224.348 1.193 20 0 BDADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)ccn1 ZINC000348641126 136114672 /nfs/dbraw/zinc/11/46/72/136114672.db2.gz KJNHTKRLYMEFEF-LLVKDONJSA-N 2 1 249.358 1.835 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCNCC2(C)C)CC[NH2+]1 ZINC000647500458 397759148 /nfs/dbraw/zinc/75/91/48/397759148.db2.gz REZZGEPYLHOBCZ-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000647500458 397759151 /nfs/dbraw/zinc/75/91/51/397759151.db2.gz REZZGEPYLHOBCZ-VXGBXAGGSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1nn(C)c(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531246 397779615 /nfs/dbraw/zinc/77/96/15/397779615.db2.gz JNKGTASZYOWTAU-UHFFFAOYSA-N 2 1 236.363 1.350 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccccn2)C1 ZINC000173880550 397834233 /nfs/dbraw/zinc/83/42/33/397834233.db2.gz COMPMTRNONVTFU-CQSZACIVSA-N 2 1 247.386 1.898 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccccn2)C1 ZINC000173880550 397834238 /nfs/dbraw/zinc/83/42/38/397834238.db2.gz COMPMTRNONVTFU-CQSZACIVSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000173880550 397834240 /nfs/dbraw/zinc/83/42/40/397834240.db2.gz COMPMTRNONVTFU-CQSZACIVSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000173880550 397834245 /nfs/dbraw/zinc/83/42/45/397834245.db2.gz COMPMTRNONVTFU-CQSZACIVSA-N 2 1 247.386 1.898 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccccn2)C1 ZINC000173880539 397834276 /nfs/dbraw/zinc/83/42/76/397834276.db2.gz COMPMTRNONVTFU-AWEZNQCLSA-N 2 1 247.386 1.898 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccccn2)C1 ZINC000173880539 397834281 /nfs/dbraw/zinc/83/42/81/397834281.db2.gz COMPMTRNONVTFU-AWEZNQCLSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000173880539 397834282 /nfs/dbraw/zinc/83/42/82/397834282.db2.gz COMPMTRNONVTFU-AWEZNQCLSA-N 2 1 247.386 1.898 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000173880539 397834286 /nfs/dbraw/zinc/83/42/86/397834286.db2.gz COMPMTRNONVTFU-AWEZNQCLSA-N 2 1 247.386 1.898 20 0 BDADMP COc1ccncc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000379764023 397991106 /nfs/dbraw/zinc/99/11/06/397991106.db2.gz GLMWZTWRGBXCFG-MNOVXSKESA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000379764023 397991109 /nfs/dbraw/zinc/99/11/09/397991109.db2.gz GLMWZTWRGBXCFG-MNOVXSKESA-N 2 1 235.331 1.259 20 0 BDADMP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303300845 398012561 /nfs/dbraw/zinc/01/25/61/398012561.db2.gz PWFUTHCACVEBLR-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000647934805 398034321 /nfs/dbraw/zinc/03/43/21/398034321.db2.gz REJIQZRGBQEURW-OCCSQVGLSA-N 2 1 233.359 1.828 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CC[NH2+]C1 ZINC000382753126 397971924 /nfs/dbraw/zinc/97/19/24/397971924.db2.gz IYBGZFSBZMPRGT-UONOGXRCSA-N 3 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414860253 398067106 /nfs/dbraw/zinc/06/71/06/398067106.db2.gz CFXRFLQTAJEATB-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H]1C[N@@H+](CCn2ccnc2C)[C@H](C)CO1 ZINC000649735998 398076413 /nfs/dbraw/zinc/07/64/13/398076413.db2.gz UNOILNHQFVSJQW-DGCLKSJQSA-N 2 1 237.347 1.691 20 0 BDADMP CC[C@@H]1CN(CCn2ccnc2C)[C@H](C)CO1 ZINC000649735998 398076416 /nfs/dbraw/zinc/07/64/16/398076416.db2.gz UNOILNHQFVSJQW-DGCLKSJQSA-N 2 1 237.347 1.691 20 0 BDADMP COc1cc(C)nc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414836338 398052872 /nfs/dbraw/zinc/05/28/72/398052872.db2.gz UUBVNVVFHBBURV-GFCCVEGCSA-N 2 1 249.358 1.488 20 0 BDADMP COCCOc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414924472 398101249 /nfs/dbraw/zinc/10/12/49/398101249.db2.gz GLGQFNCUEVDNAU-LLVKDONJSA-N 2 1 238.331 1.149 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000107766807 322862248 /nfs/dbraw/zinc/86/22/48/322862248.db2.gz NNSBWOVMUHIICZ-NSHDSACASA-N 2 1 238.331 1.531 20 0 BDADMP C1CC1[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000061982824 398110728 /nfs/dbraw/zinc/11/07/28/398110728.db2.gz RVLGLGGEIQGMTE-CYBMUJFWSA-N 2 1 249.402 1.440 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000397914908 398124467 /nfs/dbraw/zinc/12/44/67/398124467.db2.gz JPRGHKLWYNCJAK-UWVGGRQHSA-N 2 1 209.293 1.343 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414969928 398132236 /nfs/dbraw/zinc/13/22/36/398132236.db2.gz FTSIBVMUCAHKLM-MELADBBJSA-N 2 1 241.423 1.694 20 0 BDADMP CC(C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928406 167030137 /nfs/dbraw/zinc/03/01/37/167030137.db2.gz UBACTOHFIHUTLQ-RWMBFGLXSA-N 2 1 208.349 1.811 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250483473 487528902 /nfs/dbraw/zinc/52/89/02/487528902.db2.gz GJRWQSGRFXYQMH-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP COCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000044655183 174200236 /nfs/dbraw/zinc/20/02/36/174200236.db2.gz WWNUIRNBFKDBLP-UHFFFAOYSA-N 2 1 200.326 1.097 20 0 BDADMP C[C@@H](CCCCO)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000666172095 487572371 /nfs/dbraw/zinc/57/23/71/487572371.db2.gz ALVOURHWLWVCEM-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087773 167216495 /nfs/dbraw/zinc/21/64/95/167216495.db2.gz WZKDLTYEHXYFCV-CHWSQXEVSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000393734084 487578999 /nfs/dbraw/zinc/57/89/99/487578999.db2.gz ADGDNNDJXJZZFX-JHJVBQTASA-N 2 1 228.380 1.275 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CS1 ZINC000086935666 487593213 /nfs/dbraw/zinc/59/32/13/487593213.db2.gz QALNUVGOHTWSRJ-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662265861 409563482 /nfs/dbraw/zinc/56/34/82/409563482.db2.gz JGGAWVQUMNDPHF-UHTWSYAYSA-N 2 1 249.358 1.796 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@@H](N)C1)C1CCCC1 ZINC000662241292 409528476 /nfs/dbraw/zinc/52/84/76/409528476.db2.gz RWBFLFXFSZKLJF-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662241292 409528486 /nfs/dbraw/zinc/52/84/86/409528486.db2.gz RWBFLFXFSZKLJF-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000662241292 409528489 /nfs/dbraw/zinc/52/84/89/409528489.db2.gz RWBFLFXFSZKLJF-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1C ZINC000178310558 487609779 /nfs/dbraw/zinc/60/97/79/487609779.db2.gz HQWIWPUHCWDLNV-VEGXAWMVSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1C ZINC000178310558 487609783 /nfs/dbraw/zinc/60/97/83/487609783.db2.gz HQWIWPUHCWDLNV-VEGXAWMVSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C ZINC000662253588 409550761 /nfs/dbraw/zinc/55/07/61/409550761.db2.gz ANXOVWXQOTXFRC-GRYCIOLGSA-N 2 1 224.348 1.095 20 0 BDADMP CC[N@@H+](CCOC)[C@H]1CCC[NH2+]CC1 ZINC000082666825 409849371 /nfs/dbraw/zinc/84/93/71/409849371.db2.gz IKIRWODBPLOELL-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000214068498 409794190 /nfs/dbraw/zinc/79/41/90/409794190.db2.gz DIEGNJCHXUMNGW-RYUDHWBXSA-N 2 1 249.358 1.710 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087934 410065849 /nfs/dbraw/zinc/06/58/49/410065849.db2.gz FRSLKCFUAIEYGQ-KCPJHIHWSA-N 2 1 245.370 1.720 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C)C1 ZINC000309018454 410197665 /nfs/dbraw/zinc/19/76/65/410197665.db2.gz SCIREEXXSBUPKF-NWDGAFQWSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C)C1 ZINC000309018454 410197676 /nfs/dbraw/zinc/19/76/76/410197676.db2.gz SCIREEXXSBUPKF-NWDGAFQWSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C)C1 ZINC000309018454 410197679 /nfs/dbraw/zinc/19/76/79/410197679.db2.gz SCIREEXXSBUPKF-NWDGAFQWSA-N 2 1 214.353 1.029 20 0 BDADMP CCn1nccc1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000663512661 410283020 /nfs/dbraw/zinc/28/30/20/410283020.db2.gz HGDPZFVYGDDGTR-NWDGAFQWSA-N 2 1 236.363 1.523 20 0 BDADMP CCn1nccc1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000663512664 410283340 /nfs/dbraw/zinc/28/33/40/410283340.db2.gz HGDPZFVYGDDGTR-RYUDHWBXSA-N 2 1 236.363 1.523 20 0 BDADMP c1cc2c(c(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)c1)CCC2 ZINC000650703989 410334580 /nfs/dbraw/zinc/33/45/80/410334580.db2.gz AQZDPGGOCNJNBK-FICVDOATSA-N 2 1 228.339 1.483 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711543 410343083 /nfs/dbraw/zinc/34/30/83/410343083.db2.gz WPTIVBZEYCZTLC-ZWNOBZJWSA-N 2 1 236.363 1.667 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000650714314 410347868 /nfs/dbraw/zinc/34/78/68/410347868.db2.gz YMUXLSHHABIKBK-CHWSQXEVSA-N 3 1 239.407 1.435 20 0 BDADMP CCN1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000650714314 410347874 /nfs/dbraw/zinc/34/78/74/410347874.db2.gz YMUXLSHHABIKBK-CHWSQXEVSA-N 2 1 239.407 1.435 20 0 BDADMP C[N@H+]1CCN(CCC[NH3+])[C@H](Cc2ccccc2)C1 ZINC000650720524 410358432 /nfs/dbraw/zinc/35/84/32/410358432.db2.gz RUWNZOGNAOHECB-OAHLLOKOSA-N 2 1 247.386 1.194 20 0 BDADMP C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000650747919 410387704 /nfs/dbraw/zinc/38/77/04/410387704.db2.gz KIKZPYNQMRIBLS-UBHSHLNASA-N 2 1 245.370 1.753 20 0 BDADMP CCCC[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000309235222 410538009 /nfs/dbraw/zinc/53/80/09/410538009.db2.gz JJLLMNPQWJKLJA-CYBMUJFWSA-N 2 1 230.396 1.810 20 0 BDADMP CCCC[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309235222 410538012 /nfs/dbraw/zinc/53/80/12/410538012.db2.gz JJLLMNPQWJKLJA-CYBMUJFWSA-N 2 1 230.396 1.810 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000300058208 410613895 /nfs/dbraw/zinc/61/38/95/410613895.db2.gz WBCZKVQOQCCANP-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC[NH2+]1 ZINC000653279858 410632532 /nfs/dbraw/zinc/63/25/32/410632532.db2.gz BQQMLXJAAUAUGX-YVECIDJPSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274006 410742255 /nfs/dbraw/zinc/74/22/55/410742255.db2.gz HPBLYSDYNDNDPI-OPRDCNLKSA-N 2 1 232.318 1.865 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(C)C[C@H]1CN ZINC000394865972 410829909 /nfs/dbraw/zinc/82/99/09/410829909.db2.gz UGSVVBXYDHBKHT-MGPQQGTHSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(C)C[C@H]1CN ZINC000394865972 410829914 /nfs/dbraw/zinc/82/99/14/410829914.db2.gz UGSVVBXYDHBKHT-MGPQQGTHSA-N 2 1 239.407 1.387 20 0 BDADMP CC(C)[N@H+]1CC[C@H](NC2CC[NH+](C)CC2)C1 ZINC000045651286 167025597 /nfs/dbraw/zinc/02/55/97/167025597.db2.gz DSQFLQXUYZEWRE-ZDUSSCGKSA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928406 167030136 /nfs/dbraw/zinc/03/01/36/167030136.db2.gz UBACTOHFIHUTLQ-RWMBFGLXSA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928406 167030134 /nfs/dbraw/zinc/03/01/34/167030134.db2.gz UBACTOHFIHUTLQ-RWMBFGLXSA-N 2 1 208.349 1.811 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342088829 167214897 /nfs/dbraw/zinc/21/48/97/167214897.db2.gz AQVODVWQMOYNSS-MELADBBJSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000049259811 167231463 /nfs/dbraw/zinc/23/14/63/167231463.db2.gz GBFSSSDUCVTQMJ-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)[C@@H](C[NH2+]C1CCOCC1)[NH+]1CCCC1 ZINC000036304514 167399059 /nfs/dbraw/zinc/39/90/59/167399059.db2.gz MRPRPAGPEVAPBW-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000398503112 410970255 /nfs/dbraw/zinc/97/02/55/410970255.db2.gz CEHVUJPDQHKAHL-VXGBXAGGSA-N 2 1 214.353 1.269 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000398936572 410998806 /nfs/dbraw/zinc/99/88/06/410998806.db2.gz HTCBRGAWHAUCJN-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398190926 410948341 /nfs/dbraw/zinc/94/83/41/410948341.db2.gz WWISZZUELIIBHU-FZMZJTMJSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398190926 410948345 /nfs/dbraw/zinc/94/83/45/410948345.db2.gz WWISZZUELIIBHU-FZMZJTMJSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](C)CC1 ZINC000651865932 411147661 /nfs/dbraw/zinc/14/76/61/411147661.db2.gz NJHOGGIHUKVTBW-UHFFFAOYSA-N 3 1 241.423 1.648 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(C)CC1 ZINC000651865932 411147662 /nfs/dbraw/zinc/14/76/62/411147662.db2.gz NJHOGGIHUKVTBW-UHFFFAOYSA-N 3 1 241.423 1.648 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(C)CC1 ZINC000651865932 411147663 /nfs/dbraw/zinc/14/76/63/411147663.db2.gz NJHOGGIHUKVTBW-UHFFFAOYSA-N 2 1 241.423 1.648 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCOC1)C2 ZINC000400634474 411157282 /nfs/dbraw/zinc/15/72/82/411157282.db2.gz QAOSFZNXXSHTJB-IHRRRGAJSA-N 2 1 238.375 1.474 20 0 BDADMP CCn1ccnc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110651122 411113980 /nfs/dbraw/zinc/11/39/80/411113980.db2.gz QKPHNCRZYSGVDD-LLVKDONJSA-N 2 1 236.363 1.462 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@@H]1CO ZINC000653783942 411170573 /nfs/dbraw/zinc/17/05/73/411170573.db2.gz YTZKUOPWVFZKQD-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@@H]1CO ZINC000653783942 411170577 /nfs/dbraw/zinc/17/05/77/411170577.db2.gz YTZKUOPWVFZKQD-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@@H]1CO ZINC000653783942 411170582 /nfs/dbraw/zinc/17/05/82/411170582.db2.gz YTZKUOPWVFZKQD-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000404663528 411183843 /nfs/dbraw/zinc/18/38/43/411183843.db2.gz XQGSTSLFJQFVRQ-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000655754151 411184134 /nfs/dbraw/zinc/18/41/34/411184134.db2.gz NVCUILPROPIYHK-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C2CC2)CC1 ZINC000653694427 411185588 /nfs/dbraw/zinc/18/55/88/411185588.db2.gz DTJUBMBJKGMTOB-CQSZACIVSA-N 2 1 240.391 1.421 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000656152501 411186645 /nfs/dbraw/zinc/18/66/45/411186645.db2.gz KSDCTAQOSKQVPW-OLZOCXBDSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+](C)C[C@@H](O)CN1CC(C)(C)[C@@H]1C(C)C ZINC000656152501 411186648 /nfs/dbraw/zinc/18/66/48/411186648.db2.gz KSDCTAQOSKQVPW-OLZOCXBDSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)[C@@H]1C(C)C ZINC000656152501 411186650 /nfs/dbraw/zinc/18/66/50/411186650.db2.gz KSDCTAQOSKQVPW-OLZOCXBDSA-N 2 1 242.407 1.665 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656192622 411198450 /nfs/dbraw/zinc/19/84/50/411198450.db2.gz MCCCPNQIFGCSFY-UCEQBCCISA-N 3 1 223.364 1.129 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CCCn2nccc21)C[NH+](C)C ZINC000658019513 411199900 /nfs/dbraw/zinc/19/99/00/411199900.db2.gz ZVLAZZJXOBJTET-NWDGAFQWSA-N 2 1 236.363 1.505 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000652341162 411205407 /nfs/dbraw/zinc/20/54/07/411205407.db2.gz LKOMEWHYVIFODX-PEBLQZBPSA-N 2 1 240.391 1.514 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000652341164 411205929 /nfs/dbraw/zinc/20/59/29/411205929.db2.gz LKOMEWHYVIFODX-XGFWRYKXSA-N 2 1 240.391 1.514 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000656201236 411206149 /nfs/dbraw/zinc/20/61/49/411206149.db2.gz LADZTLZSCVLJQC-SCRDCRAPSA-N 2 1 233.359 1.743 20 0 BDADMP COCC[NH2+]C1CC[NH+](CCCF)CC1 ZINC000652344781 411208502 /nfs/dbraw/zinc/20/85/02/411208502.db2.gz XCCHJEMQFJXFEP-UHFFFAOYSA-N 2 1 218.316 1.046 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)[C@H]1CC[NH3+] ZINC000652355991 411214667 /nfs/dbraw/zinc/21/46/67/411214667.db2.gz ORGBXZSNNQZVMK-YPMHNXCESA-N 2 1 248.374 1.443 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000309721156 411219444 /nfs/dbraw/zinc/21/94/44/411219444.db2.gz BVNAITOOSSAUAJ-NSHDSACASA-N 2 1 221.348 1.677 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422884849 411233192 /nfs/dbraw/zinc/23/31/92/411233192.db2.gz FVDZGMWWIFECDP-CRWXNKLISA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422884897 411233659 /nfs/dbraw/zinc/23/36/59/411233659.db2.gz FVDZGMWWIFECDP-RFQIPJPRSA-N 2 1 239.407 1.719 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423232917 411238138 /nfs/dbraw/zinc/23/81/38/411238138.db2.gz JBEAVXZLQJOXFZ-GFCCVEGCSA-N 2 1 226.364 1.535 20 0 BDADMP CCC[C@@H](Cc1ccccc1)[NH2+]CC[NH3+] ZINC000423193491 411238173 /nfs/dbraw/zinc/23/81/73/411238173.db2.gz WOPAHXDUKDFLAG-ZDUSSCGKSA-N 2 1 206.333 1.946 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@H]1CC[NH2+]C1 ZINC000309838532 411267693 /nfs/dbraw/zinc/26/76/93/411267693.db2.gz NAQRBEWVMMXZCZ-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000402138846 411270220 /nfs/dbraw/zinc/27/02/20/411270220.db2.gz LITXSXRJVJBONK-WYUUTHIRSA-N 2 1 212.337 1.284 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000402608123 411273438 /nfs/dbraw/zinc/27/34/38/411273438.db2.gz VMLDCHLZLYVEEO-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000658161234 411273843 /nfs/dbraw/zinc/27/38/43/411273843.db2.gz JAHBVNPYXCGZLS-XUXIUFHCSA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000658170238 411279831 /nfs/dbraw/zinc/27/98/31/411279831.db2.gz SXJQCWPLRJPNCF-WUHRBBMRSA-N 2 1 226.364 1.484 20 0 BDADMP FC(F)(F)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889886 411284927 /nfs/dbraw/zinc/28/49/27/411284927.db2.gz BKYOGNZJTCBOOZ-NXEZZACHSA-N 2 1 236.281 1.870 20 0 BDADMP FC(F)(F)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889886 411284929 /nfs/dbraw/zinc/28/49/29/411284929.db2.gz BKYOGNZJTCBOOZ-NXEZZACHSA-N 2 1 236.281 1.870 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911918 411329444 /nfs/dbraw/zinc/32/94/44/411329444.db2.gz QVLZIAVJODMHJS-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661831431 411317242 /nfs/dbraw/zinc/31/72/42/411317242.db2.gz OHKUEMNQNUYAKX-OLZOCXBDSA-N 2 1 249.358 1.475 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656700575 411325639 /nfs/dbraw/zinc/32/56/39/411325639.db2.gz XGDSRYBDASGVMP-STQMWFEESA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656700575 411325641 /nfs/dbraw/zinc/32/56/41/411325641.db2.gz XGDSRYBDASGVMP-STQMWFEESA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000656700575 411325642 /nfs/dbraw/zinc/32/56/42/411325642.db2.gz XGDSRYBDASGVMP-STQMWFEESA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000656700575 411325645 /nfs/dbraw/zinc/32/56/45/411325645.db2.gz XGDSRYBDASGVMP-STQMWFEESA-N 2 1 228.380 1.418 20 0 BDADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCC1 ZINC000655700674 411251109 /nfs/dbraw/zinc/25/11/09/411251109.db2.gz NCSBUPSZIQQIQB-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]CCCCn1cc(C[NH+]2CCCCC2)nn1 ZINC000656439616 411257620 /nfs/dbraw/zinc/25/76/20/411257620.db2.gz YETPLSQXCMPBHS-UHFFFAOYSA-N 2 1 237.351 1.003 20 0 BDADMP CC[C@H]([NH3+])c1cn(-c2cc[nH+]cc2)nn1 ZINC000656440725 411258700 /nfs/dbraw/zinc/25/87/00/411258700.db2.gz MJEKWLZJEMUHAZ-VIFPVBQESA-N 2 1 203.249 1.072 20 0 BDADMP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000130523188 411357776 /nfs/dbraw/zinc/35/77/76/411357776.db2.gz JKKPCTSJCNICJL-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](CC)CO1 ZINC000403766166 411357868 /nfs/dbraw/zinc/35/78/68/411357868.db2.gz BJQSQAKJSWRMCI-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](CC)CO1 ZINC000403766166 411357870 /nfs/dbraw/zinc/35/78/70/411357870.db2.gz BJQSQAKJSWRMCI-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)C(C)(C)C ZINC000304282618 411358282 /nfs/dbraw/zinc/35/82/82/411358282.db2.gz MLCOKDJPUDWUBO-SDDRHHMPSA-N 2 1 228.380 1.717 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403877487 411363690 /nfs/dbraw/zinc/36/36/90/411363690.db2.gz SXXCHGRHIGQUGH-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656787232 411365755 /nfs/dbraw/zinc/36/57/55/411365755.db2.gz HPVJNCCCVBEUMJ-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788590 411366928 /nfs/dbraw/zinc/36/69/28/411366928.db2.gz UUPWKCBETKKRRJ-UHFFFAOYSA-N 2 1 208.309 1.079 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2ccn(C)n2)[C@H]1CC[NH3+] ZINC000404364954 411391878 /nfs/dbraw/zinc/39/18/78/411391878.db2.gz GRHFWCIDMMAFPZ-YPMHNXCESA-N 2 1 236.363 1.369 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@H]1CC[NH3+] ZINC000404364954 411391881 /nfs/dbraw/zinc/39/18/81/411391881.db2.gz GRHFWCIDMMAFPZ-YPMHNXCESA-N 2 1 236.363 1.369 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309436172 411383609 /nfs/dbraw/zinc/38/36/09/411383609.db2.gz MWQBFPHAKWZNMD-AAEUAGOBSA-N 2 1 219.332 1.813 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CO1 ZINC000657294490 411455894 /nfs/dbraw/zinc/45/58/94/411455894.db2.gz REXGNRDIMZTHAH-VXGBXAGGSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000657308335 411457814 /nfs/dbraw/zinc/45/78/14/411457814.db2.gz ZLDKPKVDGYBSDE-YRGRVCCFSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCOC)CO1 ZINC000657308054 411460304 /nfs/dbraw/zinc/46/03/04/411460304.db2.gz LUDYLLYRULUBLR-QWHCGFSZSA-N 2 1 244.379 1.112 20 0 BDADMP C[C@H]1CCC[N@@H+](CCn2cccn2)[C@H]1CC[NH3+] ZINC000404384501 411392871 /nfs/dbraw/zinc/39/28/71/411392871.db2.gz NQLORVYCEKHICK-STQMWFEESA-N 2 1 236.363 1.332 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CO1 ZINC000657313685 411460903 /nfs/dbraw/zinc/46/09/03/411460903.db2.gz MPPYWACTQBQCJE-XJFOESAGSA-N 2 1 238.375 1.770 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000404507349 411398745 /nfs/dbraw/zinc/39/87/45/411398745.db2.gz BOZBHRMZLISWGR-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CC[N@@H+](CCOCC[NH3+])C1CC1 ZINC000118906081 411406427 /nfs/dbraw/zinc/40/64/27/411406427.db2.gz QPBMPNUFHFRFRT-UHFFFAOYSA-N 2 1 214.353 1.472 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000070360483 411407972 /nfs/dbraw/zinc/40/79/72/411407972.db2.gz SRPGDTSUASHCSU-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CSC2)C1 ZINC000657182666 411417294 /nfs/dbraw/zinc/41/72/94/411417294.db2.gz JHQKYSYMGCLYDW-SNVBAGLBSA-N 2 1 214.378 1.423 20 0 BDADMP CCO[C@@H]1C[N@@H+]([C@H](C)c2ccncc2)C[C@H]1C[NH3+] ZINC000405277239 411423204 /nfs/dbraw/zinc/42/32/04/411423204.db2.gz YOARUVBQJSJHDE-MRVWCRGKSA-N 2 1 249.358 1.438 20 0 BDADMP CCO[C@@H]1C[N@H+]([C@H](C)c2ccncc2)C[C@H]1C[NH3+] ZINC000405277239 411423206 /nfs/dbraw/zinc/42/32/06/411423206.db2.gz YOARUVBQJSJHDE-MRVWCRGKSA-N 2 1 249.358 1.438 20 0 BDADMP CCC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653568606 411424539 /nfs/dbraw/zinc/42/45/39/411424539.db2.gz DVFSTWWPYWAKBO-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000653568606 411424541 /nfs/dbraw/zinc/42/45/41/411424541.db2.gz DVFSTWWPYWAKBO-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000653568606 411424544 /nfs/dbraw/zinc/42/45/44/411424544.db2.gz DVFSTWWPYWAKBO-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)CO1 ZINC000657317401 411462828 /nfs/dbraw/zinc/46/28/28/411462828.db2.gz AOWAPYXYBRVGFI-CHWSQXEVSA-N 2 1 237.347 1.739 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CO1 ZINC000657295799 411454591 /nfs/dbraw/zinc/45/45/91/411454591.db2.gz ZJTDEZQOEPZISF-JSGCOSHPSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn2c1CCC2 ZINC000657334997 411472170 /nfs/dbraw/zinc/47/21/70/411472170.db2.gz JMOHIODHQWLAQN-LLVKDONJSA-N 2 1 236.363 1.259 20 0 BDADMP C[C@@H]1CC[N@@H+](CCNCc2cnc3n2CCC3)C1 ZINC000657381282 411488462 /nfs/dbraw/zinc/48/84/62/411488462.db2.gz AHYUEBYEMNJRDD-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP C[C@@H]1CCN(CC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657381282 411488464 /nfs/dbraw/zinc/48/84/64/411488464.db2.gz AHYUEBYEMNJRDD-GFCCVEGCSA-N 2 1 248.374 1.261 20 0 BDADMP C[C@@H]1Cc2c([nH+]cn2CC2C[NH2+]C2)C[C@@H]1C ZINC000309490255 411498664 /nfs/dbraw/zinc/49/86/64/411498664.db2.gz IIPBXAYCQRRLMX-VHSXEESVSA-N 2 1 219.332 1.473 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccno1)C2 ZINC000309489190 411499024 /nfs/dbraw/zinc/49/90/24/411499024.db2.gz ZBGZHVVWHIAISJ-JQWIXIFHSA-N 2 1 221.304 1.235 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccno1)C2 ZINC000309489190 411499027 /nfs/dbraw/zinc/49/90/27/411499027.db2.gz ZBGZHVVWHIAISJ-JQWIXIFHSA-N 2 1 221.304 1.235 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000655805854 411520219 /nfs/dbraw/zinc/52/02/19/411520219.db2.gz MEEPJYPGVHKSKF-XDQVBPFNSA-N 3 1 239.407 1.399 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCN1C ZINC000655805854 411520220 /nfs/dbraw/zinc/52/02/20/411520220.db2.gz MEEPJYPGVHKSKF-XDQVBPFNSA-N 2 1 239.407 1.399 20 0 BDADMP Cn1cnc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000660013778 411528438 /nfs/dbraw/zinc/52/84/38/411528438.db2.gz YSSQJEPCTDAJIB-JSGCOSHPSA-N 2 1 248.374 1.336 20 0 BDADMP Cc1[nH]ncc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827029 411529858 /nfs/dbraw/zinc/52/98/58/411529858.db2.gz NPOLWZKMOAPCAO-KLPPZKSPSA-N 2 1 222.336 1.148 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300230735 170007839 /nfs/dbraw/zinc/00/78/39/170007839.db2.gz CVJAHRYAGMZDNM-NWDGAFQWSA-N 2 1 228.405 1.671 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccn2)[C@H](C)C1 ZINC000151403488 170011476 /nfs/dbraw/zinc/01/14/76/170011476.db2.gz MPLZFJZKKGQBPV-UKRRQHHQSA-N 2 1 247.386 1.944 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)cnn2C)C1 ZINC000352779228 170014956 /nfs/dbraw/zinc/01/49/56/170014956.db2.gz KQHDBPDBHOREPH-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)cnn2C)C1 ZINC000352779228 170014957 /nfs/dbraw/zinc/01/49/57/170014957.db2.gz KQHDBPDBHOREPH-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000296026765 170017435 /nfs/dbraw/zinc/01/74/35/170017435.db2.gz PUMRYLSZAVXWIK-WDEREUQCSA-N 2 1 222.336 1.402 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOC2)C[C@H]1C ZINC000336692757 170017632 /nfs/dbraw/zinc/01/76/32/170017632.db2.gz IRVYKIJNRODLQF-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCOC2)C[C@H]1C ZINC000336692757 170017634 /nfs/dbraw/zinc/01/76/34/170017634.db2.gz IRVYKIJNRODLQF-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCOC2)C[C@H]1C ZINC000336692757 170017636 /nfs/dbraw/zinc/01/76/36/170017636.db2.gz IRVYKIJNRODLQF-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)O)[C@H](C)C1 ZINC000336660720 170019450 /nfs/dbraw/zinc/01/94/50/170019450.db2.gz BCFLPVYLMXLEKT-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)O)[C@H](C)C1 ZINC000336660720 170019452 /nfs/dbraw/zinc/01/94/52/170019452.db2.gz BCFLPVYLMXLEKT-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)O)[C@H](C)C1 ZINC000336660720 170019453 /nfs/dbraw/zinc/01/94/53/170019453.db2.gz BCFLPVYLMXLEKT-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)OC)C[C@H]1C ZINC000362183643 170019818 /nfs/dbraw/zinc/01/98/18/170019818.db2.gz PWANSSTZAJVPHL-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)OC)C[C@H]1C ZINC000362183643 170019819 /nfs/dbraw/zinc/01/98/19/170019819.db2.gz PWANSSTZAJVPHL-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)OC)C[C@H]1C ZINC000362183643 170019820 /nfs/dbraw/zinc/01/98/20/170019820.db2.gz PWANSSTZAJVPHL-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H](C)O)[C@@H](C)C1 ZINC000309461596 170020225 /nfs/dbraw/zinc/02/02/25/170020225.db2.gz OBGCCFWPMVCBEQ-AVGNSLFASA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccn(C)c2)[C@H](C)C1 ZINC000158489193 170020936 /nfs/dbraw/zinc/02/09/36/170020936.db2.gz BXEPHPINPPFYJL-OCCSQVGLSA-N 2 1 235.375 1.845 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)[C@@H](C)C1 ZINC000305116939 170020962 /nfs/dbraw/zinc/02/09/62/170020962.db2.gz IFGHALHEVMYNLQ-RQJABVFESA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC000328515516 170021280 /nfs/dbraw/zinc/02/12/80/170021280.db2.gz PKKCOWCUNIGBDB-AWEZNQCLSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)[C@H](C)C1 ZINC000305116937 170021624 /nfs/dbraw/zinc/02/16/24/170021624.db2.gz IFGHALHEVMYNLQ-MQYQWHSLSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000358293709 170022169 /nfs/dbraw/zinc/02/21/69/170022169.db2.gz AZPQPPCZAMTICD-DGAVXFQQSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC[NH+](C)C(C)C)C1 ZINC000336674665 170029827 /nfs/dbraw/zinc/02/98/27/170029827.db2.gz AXDSBBBDLCYYMM-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@@H](NCC[N@H+](C)C(C)C)C1 ZINC000336674665 170029829 /nfs/dbraw/zinc/02/98/29/170029829.db2.gz AXDSBBBDLCYYMM-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@@H](NCC[N@@H+](C)C(C)C)C1 ZINC000336674665 170029831 /nfs/dbraw/zinc/02/98/31/170029831.db2.gz AXDSBBBDLCYYMM-OLZOCXBDSA-N 2 1 227.396 1.256 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657611181 411563100 /nfs/dbraw/zinc/56/31/00/411563100.db2.gz KSEZDVZKHZGETA-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CCCc1cncn1C ZINC000314000489 411571651 /nfs/dbraw/zinc/57/16/51/411571651.db2.gz MATYZWSBKYGLPD-NSHDSACASA-N 2 1 225.336 1.055 20 0 BDADMP CC[C@@H](CO)[N@H+](C)CCCc1c[nH+]cn1C ZINC000314000489 411571652 /nfs/dbraw/zinc/57/16/52/411571652.db2.gz MATYZWSBKYGLPD-NSHDSACASA-N 2 1 225.336 1.055 20 0 BDADMP CC[C@@H](CO)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000314000489 411571653 /nfs/dbraw/zinc/57/16/53/411571653.db2.gz MATYZWSBKYGLPD-NSHDSACASA-N 2 1 225.336 1.055 20 0 BDADMP CCOCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337194168 170370316 /nfs/dbraw/zinc/37/03/16/170370316.db2.gz ACFWQQHMOZWLEF-UHFFFAOYSA-N 2 1 228.380 1.831 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367640321 170382298 /nfs/dbraw/zinc/38/22/98/170382298.db2.gz ZSRWTYOQHLDPHD-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CCOCC[N@@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000082537228 170394138 /nfs/dbraw/zinc/39/41/38/170394138.db2.gz GYMPXIHELVCDSP-LBPRGKRZSA-N 2 1 214.353 1.344 20 0 BDADMP CCOCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000043617093 170398917 /nfs/dbraw/zinc/39/89/17/170398917.db2.gz UBAYVGZLTZYLPH-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000043617093 170398919 /nfs/dbraw/zinc/39/89/19/170398919.db2.gz UBAYVGZLTZYLPH-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250408628 170399204 /nfs/dbraw/zinc/39/92/04/170399204.db2.gz UQTCOSXEPWFCFC-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000657739337 411588758 /nfs/dbraw/zinc/58/87/58/411588758.db2.gz XZSBYYPWGNFMPK-JTQLQIEISA-N 2 1 232.318 1.962 20 0 BDADMP FC1(CNC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000657751380 411592767 /nfs/dbraw/zinc/59/27/67/411592767.db2.gz HUKBVPJVTAPDHM-GFCCVEGCSA-N 2 1 242.338 1.331 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657845700 411611233 /nfs/dbraw/zinc/61/12/33/411611233.db2.gz OMAFLFGRPSWOAT-ZDUSSCGKSA-N 2 1 249.358 1.883 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657875221 411614679 /nfs/dbraw/zinc/61/46/79/411614679.db2.gz BSXGDUJZVXAMHD-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657163 411615262 /nfs/dbraw/zinc/61/52/62/411615262.db2.gz OCFFLGQCTSENAS-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657163 411615264 /nfs/dbraw/zinc/61/52/64/411615264.db2.gz OCFFLGQCTSENAS-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657163 411615265 /nfs/dbraw/zinc/61/52/65/411615265.db2.gz OCFFLGQCTSENAS-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665121 411616176 /nfs/dbraw/zinc/61/61/76/411616176.db2.gz UMBIYJKXVPAACV-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665121 411616177 /nfs/dbraw/zinc/61/61/77/411616177.db2.gz UMBIYJKXVPAACV-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665121 411616178 /nfs/dbraw/zinc/61/61/78/411616178.db2.gz UMBIYJKXVPAACV-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](COC)CC(C)C ZINC000663512083 411694519 /nfs/dbraw/zinc/69/45/19/411694519.db2.gz FHPKOVSOEHCIRN-MNOVXSKESA-N 2 1 202.342 1.245 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000663514983 411696544 /nfs/dbraw/zinc/69/65/44/411696544.db2.gz XNXORRSOQZLVOE-MNOVXSKESA-N 2 1 224.323 1.954 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000661231411 411733828 /nfs/dbraw/zinc/73/38/28/411733828.db2.gz MMYQEDDOLROBRS-AAEUAGOBSA-N 2 1 242.407 1.856 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661231411 411733833 /nfs/dbraw/zinc/73/38/33/411733833.db2.gz MMYQEDDOLROBRS-AAEUAGOBSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000420915902 411767156 /nfs/dbraw/zinc/76/71/56/411767156.db2.gz GLMVOKLTTOCMLL-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)CCC[N@H+](C)CCNc1ccccn1 ZINC000664247277 411898753 /nfs/dbraw/zinc/89/87/53/411898753.db2.gz IMYQWXOJOVRNMG-UHFFFAOYSA-N 2 1 236.363 1.377 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccccn1 ZINC000664247277 411898757 /nfs/dbraw/zinc/89/87/57/411898757.db2.gz IMYQWXOJOVRNMG-UHFFFAOYSA-N 2 1 236.363 1.377 20 0 BDADMP CCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153458 412008968 /nfs/dbraw/zinc/00/89/68/412008968.db2.gz BRSHFLIPFQKSNP-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000662236146 412035145 /nfs/dbraw/zinc/03/51/45/412035145.db2.gz DADKHVNSTSXLIT-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662236156 412035688 /nfs/dbraw/zinc/03/56/88/412035688.db2.gz DKAYXIFQNVHDSS-YIYPIFLZSA-N 2 1 222.376 1.964 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000662245337 412042079 /nfs/dbraw/zinc/04/20/79/412042079.db2.gz TYKIMEKIHOWPPB-SECBINFHSA-N 2 1 209.293 1.018 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000662245337 412042080 /nfs/dbraw/zinc/04/20/80/412042080.db2.gz TYKIMEKIHOWPPB-SECBINFHSA-N 2 1 209.293 1.018 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662247487 412044484 /nfs/dbraw/zinc/04/44/84/412044484.db2.gz ZZOLLEZTBAKFSZ-YPMHNXCESA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000662247487 412044485 /nfs/dbraw/zinc/04/44/85/412044485.db2.gz ZZOLLEZTBAKFSZ-YPMHNXCESA-N 2 1 248.374 1.653 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](OC)C1CCCC1 ZINC000662247400 412045236 /nfs/dbraw/zinc/04/52/36/412045236.db2.gz ZWBLCPQIODNCFR-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](OC)C1CCCC1 ZINC000662247400 412045238 /nfs/dbraw/zinc/04/52/38/412045238.db2.gz ZWBLCPQIODNCFR-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CC1CCCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253256 412050177 /nfs/dbraw/zinc/05/01/77/412050177.db2.gz GVEFDJRXPULIDF-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255475 412051531 /nfs/dbraw/zinc/05/15/31/412051531.db2.gz PTTWEOACDYWJSY-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662264953 412056553 /nfs/dbraw/zinc/05/65/53/412056553.db2.gz FOCWNSDPSBUGNR-NWBUJAPZSA-N 2 1 208.349 1.702 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351627235 171000819 /nfs/dbraw/zinc/00/08/19/171000819.db2.gz ILBCAILBEFRASK-MRVWCRGKSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351627235 171000822 /nfs/dbraw/zinc/00/08/22/171000822.db2.gz ILBCAILBEFRASK-MRVWCRGKSA-N 2 1 240.391 1.610 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ncn1 ZINC000662265706 412058727 /nfs/dbraw/zinc/05/87/27/412058727.db2.gz HZJWAGGTXXVQFN-YUTCNCBUSA-N 2 1 246.358 1.344 20 0 BDADMP CCC[N@H+]1CC[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000328160805 487621638 /nfs/dbraw/zinc/62/16/38/487621638.db2.gz HJWQEVAGGXCNMH-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](OC)C1CCC1 ZINC000662279892 412071652 /nfs/dbraw/zinc/07/16/52/412071652.db2.gz AIWKUYZNRUGKLW-GFCCVEGCSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ncn1 ZINC000662273049 412064570 /nfs/dbraw/zinc/06/45/70/412064570.db2.gz ROCAAIXXNROMSB-GFCCVEGCSA-N 2 1 234.347 1.346 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](OC)C1CCC1 ZINC000662279893 412070634 /nfs/dbraw/zinc/07/06/34/412070634.db2.gz AIWKUYZNRUGKLW-LBPRGKRZSA-N 2 1 214.353 1.343 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](CC2CC=CC2)CCCO1 ZINC000662280370 412070884 /nfs/dbraw/zinc/07/08/84/412070884.db2.gz CTPVENUYBUVRIT-GFCCVEGCSA-N 2 1 210.321 1.002 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC=CC2)CCCO1 ZINC000662280370 412070887 /nfs/dbraw/zinc/07/08/87/412070887.db2.gz CTPVENUYBUVRIT-GFCCVEGCSA-N 2 1 210.321 1.002 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000662285509 412077630 /nfs/dbraw/zinc/07/76/30/412077630.db2.gz KRQJDIQJWJHVEI-GXFFZTMASA-N 2 1 237.347 1.932 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](OC)C1CCCC1 ZINC000662281835 412072522 /nfs/dbraw/zinc/07/25/22/412072522.db2.gz PWSVVULSQHQSLD-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H](OC)C1CCCC1 ZINC000662281836 412072952 /nfs/dbraw/zinc/07/29/52/412072952.db2.gz PWSVVULSQHQSLD-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000662284646 412074523 /nfs/dbraw/zinc/07/45/23/412074523.db2.gz ZGNFZUJELRASHO-ZYHUDNBSSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000662284646 412074525 /nfs/dbraw/zinc/07/45/25/412074525.db2.gz ZGNFZUJELRASHO-ZYHUDNBSSA-N 2 1 249.358 1.969 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ncn1 ZINC000662283919 412075039 /nfs/dbraw/zinc/07/50/39/412075039.db2.gz DNLVNMDSJRFGTK-JSGCOSHPSA-N 2 1 246.358 1.346 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ncn1 ZINC000662283919 412075043 /nfs/dbraw/zinc/07/50/43/412075043.db2.gz DNLVNMDSJRFGTK-JSGCOSHPSA-N 2 1 246.358 1.346 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000662284613 412075929 /nfs/dbraw/zinc/07/59/29/412075929.db2.gz NTTILEGLYQYGFU-WCFLWFBJSA-N 2 1 226.364 1.613 20 0 BDADMP COCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297400 412083846 /nfs/dbraw/zinc/08/38/46/412083846.db2.gz PDMBCROWMODRRT-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@H](C)[N@@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000336659128 171314217 /nfs/dbraw/zinc/31/42/17/171314217.db2.gz MTLSJBGQQAEFGF-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336659128 171314219 /nfs/dbraw/zinc/31/42/19/171314219.db2.gz MTLSJBGQQAEFGF-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[NH+](CCO)CC[C@@H]1CCC[N@H+]1C ZINC000336659128 171314222 /nfs/dbraw/zinc/31/42/22/171314222.db2.gz MTLSJBGQQAEFGF-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000662292149 412081462 /nfs/dbraw/zinc/08/14/62/412081462.db2.gz BTCKYSURYVCDIP-UHFFFAOYSA-N 3 1 213.369 1.045 20 0 BDADMP CN(CCC1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000662292149 412081466 /nfs/dbraw/zinc/08/14/66/412081466.db2.gz BTCKYSURYVCDIP-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)CC(C)(C)N ZINC000662292149 412081469 /nfs/dbraw/zinc/08/14/69/412081469.db2.gz BTCKYSURYVCDIP-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(C)(C)N ZINC000662292149 412081472 /nfs/dbraw/zinc/08/14/72/412081472.db2.gz BTCKYSURYVCDIP-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336666694 171365918 /nfs/dbraw/zinc/36/59/18/171365918.db2.gz QAGKBFPMKLCNTA-LOWVWBTDSA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336666694 171365919 /nfs/dbraw/zinc/36/59/19/171365919.db2.gz QAGKBFPMKLCNTA-LOWVWBTDSA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336666693 171389796 /nfs/dbraw/zinc/38/97/96/171389796.db2.gz QAGKBFPMKLCNTA-GVXVVHGQSA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336666693 171389798 /nfs/dbraw/zinc/38/97/98/171389798.db2.gz QAGKBFPMKLCNTA-GVXVVHGQSA-N 2 1 228.380 1.466 20 0 BDADMP COCC1([N@@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000662299634 412085899 /nfs/dbraw/zinc/08/58/99/412085899.db2.gz SSOWFGYFNMTANQ-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662303316 412089783 /nfs/dbraw/zinc/08/97/83/412089783.db2.gz VXSWZRCFZRJPRO-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP CO[C@@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C1CCCC1 ZINC000662306232 412090457 /nfs/dbraw/zinc/09/04/57/412090457.db2.gz PHRBNRAYFAWUJI-QRMWWUJWSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@@H](C[N@H+]1CC2CC1(C[NH3+])C2)C1CCCC1 ZINC000662306232 412090461 /nfs/dbraw/zinc/09/04/61/412090461.db2.gz PHRBNRAYFAWUJI-QRMWWUJWSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662311036 412094361 /nfs/dbraw/zinc/09/43/61/412094361.db2.gz PUNVSDUCEZDBPC-RDBSUJKOSA-N 2 1 238.375 1.344 20 0 BDADMP C(C[N@H+]1CC[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000662315464 412095380 /nfs/dbraw/zinc/09/53/80/412095380.db2.gz PVOTUUVYTOVADB-STQMWFEESA-N 2 1 208.349 1.718 20 0 BDADMP CC(C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319255 412099293 /nfs/dbraw/zinc/09/92/93/412099293.db2.gz LLJZVIFAEQIYTM-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP CC(C)=CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320965 412101210 /nfs/dbraw/zinc/10/12/10/412101210.db2.gz YNDOXTNEAKEVAB-CQSZACIVSA-N 2 1 240.391 1.995 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000665236819 412177281 /nfs/dbraw/zinc/17/72/81/412177281.db2.gz VCMIFKSZCQVIIO-TUAOUCFPSA-N 2 1 225.380 1.329 20 0 BDADMP CCCCO[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000665243124 412187783 /nfs/dbraw/zinc/18/77/83/412187783.db2.gz XDHXDNYZFONJJY-AVGNSLFASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665249600 412194623 /nfs/dbraw/zinc/19/46/23/412194623.db2.gz UEVOTDXOURIQAR-WCQYABFASA-N 2 1 237.391 1.330 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665249600 412194626 /nfs/dbraw/zinc/19/46/26/412194626.db2.gz UEVOTDXOURIQAR-WCQYABFASA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[N@H+]1C ZINC000665249074 412194756 /nfs/dbraw/zinc/19/47/56/412194756.db2.gz JEHOFVHNWXNJMI-NEPJUHHUSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[N@H+]1C ZINC000665233865 412172226 /nfs/dbraw/zinc/17/22/26/412172226.db2.gz RKGYZYAHWBGLLO-RISCZKNCSA-N 2 1 233.359 1.841 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCCC[NH2+]1 ZINC000422748014 412172936 /nfs/dbraw/zinc/17/29/36/412172936.db2.gz RPHYXNVEKUBAFK-CLPYTZEMSA-N 2 1 224.348 1.427 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000665280458 412219320 /nfs/dbraw/zinc/21/93/20/412219320.db2.gz BWJUHNHPQMLPLV-YNEHKIRRSA-N 2 1 227.396 1.432 20 0 BDADMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1C ZINC000665294927 412240927 /nfs/dbraw/zinc/24/09/27/412240927.db2.gz YTDUYKJQNXOULG-QWHCGFSZSA-N 2 1 234.343 1.973 20 0 BDADMP CCn1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000250338468 172165821 /nfs/dbraw/zinc/16/58/21/172165821.db2.gz KDCHTEKFYJLJKZ-AAEUAGOBSA-N 2 1 236.363 1.462 20 0 BDADMP CCn1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000250338468 172165823 /nfs/dbraw/zinc/16/58/23/172165823.db2.gz KDCHTEKFYJLJKZ-AAEUAGOBSA-N 2 1 236.363 1.462 20 0 BDADMP CCn1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000310199223 172196394 /nfs/dbraw/zinc/19/63/94/172196394.db2.gz BESWUJASIULDKO-NEPJUHHUSA-N 2 1 238.379 1.751 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](CCCO)C2)CC1 ZINC000376382867 173003238 /nfs/dbraw/zinc/00/32/38/173003238.db2.gz FKFJZXSHJPCPBK-UHFFFAOYSA-N 2 1 226.364 1.177 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000226011751 173033729 /nfs/dbraw/zinc/03/37/29/173033729.db2.gz XSHMJWSYGFSMPP-KCPJHIHWSA-N 2 1 245.370 1.815 20 0 BDADMP C[NH+](CCOCC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000121032851 173041229 /nfs/dbraw/zinc/04/12/29/173041229.db2.gz PCGLIITUDOJJJF-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@@H+](CCOCC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000121032851 173041228 /nfs/dbraw/zinc/04/12/28/173041228.db2.gz PCGLIITUDOJJJF-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CCOCC1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000121032851 173041230 /nfs/dbraw/zinc/04/12/30/173041230.db2.gz PCGLIITUDOJJJF-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(CCOC2)C1 ZINC000245628866 173054688 /nfs/dbraw/zinc/05/46/88/173054688.db2.gz POZQOGOLHROHTF-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000245628866 173054690 /nfs/dbraw/zinc/05/46/90/173054690.db2.gz POZQOGOLHROHTF-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000245628866 173054692 /nfs/dbraw/zinc/05/46/92/173054692.db2.gz POZQOGOLHROHTF-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCF)C2)C1 ZINC000367847877 173138482 /nfs/dbraw/zinc/13/84/82/173138482.db2.gz RIEFSEKWSAENRT-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCF)C2)C1 ZINC000367847877 173138486 /nfs/dbraw/zinc/13/84/86/173138486.db2.gz RIEFSEKWSAENRT-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCF)C2)C1 ZINC000367847877 173138487 /nfs/dbraw/zinc/13/84/87/173138487.db2.gz RIEFSEKWSAENRT-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000335642456 173140258 /nfs/dbraw/zinc/14/02/58/173140258.db2.gz HYVQJLMZAGCDDJ-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000335642456 173140260 /nfs/dbraw/zinc/14/02/60/173140260.db2.gz HYVQJLMZAGCDDJ-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353621301 173152226 /nfs/dbraw/zinc/15/22/26/173152226.db2.gz LTAHEXCZQJCJBU-HZSPNIEDSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353621301 173152227 /nfs/dbraw/zinc/15/22/27/173152227.db2.gz LTAHEXCZQJCJBU-HZSPNIEDSA-N 2 1 248.374 1.383 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCCO)C[C@@H]1c1ccccc1 ZINC000340169149 173152562 /nfs/dbraw/zinc/15/25/62/173152562.db2.gz ZRAYWYVAZCAVTA-LSDHHAIUSA-N 2 1 248.370 1.794 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCO)C[C@@H]1c1ccccc1 ZINC000340169149 173152565 /nfs/dbraw/zinc/15/25/65/173152565.db2.gz ZRAYWYVAZCAVTA-LSDHHAIUSA-N 2 1 248.370 1.794 20 0 BDADMP C[N@H+]1CC[C@](O)(CNC/C=C/c2ccccc2)C1 ZINC000358170507 173164977 /nfs/dbraw/zinc/16/49/77/173164977.db2.gz RIUHHFWKWDAMRZ-PXTSUWAFSA-N 2 1 246.354 1.356 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C/C=C/c2ccccc2)C1 ZINC000358170507 173164980 /nfs/dbraw/zinc/16/49/80/173164980.db2.gz RIUHHFWKWDAMRZ-PXTSUWAFSA-N 2 1 246.354 1.356 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C/C=C/c2ccccc2)C1 ZINC000358170507 173164983 /nfs/dbraw/zinc/16/49/83/173164983.db2.gz RIUHHFWKWDAMRZ-PXTSUWAFSA-N 2 1 246.354 1.356 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000335642458 173165631 /nfs/dbraw/zinc/16/56/31/173165631.db2.gz HYVQJLMZAGCDDJ-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000335642458 173165632 /nfs/dbraw/zinc/16/56/32/173165632.db2.gz HYVQJLMZAGCDDJ-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCOC3CCC3)C2)C1 ZINC000368637881 173168577 /nfs/dbraw/zinc/16/85/77/173168577.db2.gz ZHJSPKHFVWAFEI-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCOC3CCC3)C2)C1 ZINC000368637881 173168580 /nfs/dbraw/zinc/16/85/80/173168580.db2.gz ZHJSPKHFVWAFEI-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOC3CCC3)C2)C1 ZINC000368637881 173168583 /nfs/dbraw/zinc/16/85/83/173168583.db2.gz ZHJSPKHFVWAFEI-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH2+]C1CC[NH+](CCOCC2CC2)CC1 ZINC000226420930 173322806 /nfs/dbraw/zinc/32/28/06/173322806.db2.gz CXWHGIQSRFSJKN-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC000054603266 173324229 /nfs/dbraw/zinc/32/42/29/173324229.db2.gz OBBMFCKQCZNUSE-AGUYFDCRSA-N 2 1 231.343 1.796 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC000054603266 173324230 /nfs/dbraw/zinc/32/42/30/173324230.db2.gz OBBMFCKQCZNUSE-AGUYFDCRSA-N 2 1 231.343 1.796 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000063158873 173338559 /nfs/dbraw/zinc/33/85/59/173338559.db2.gz FXIIFFVBOPGFIQ-UHFFFAOYSA-N 2 1 239.388 1.883 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc(F)cc1 ZINC000042437095 173345673 /nfs/dbraw/zinc/34/56/73/173345673.db2.gz PKMMCBLLHANUHZ-UHFFFAOYSA-N 2 1 210.296 1.867 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000042437095 173345674 /nfs/dbraw/zinc/34/56/74/173345674.db2.gz PKMMCBLLHANUHZ-UHFFFAOYSA-N 2 1 210.296 1.867 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCc1ccc(OC)cc1 ZINC000124916509 173345893 /nfs/dbraw/zinc/34/58/93/173345893.db2.gz DMGPQQBMLHANNK-UHFFFAOYSA-N 2 1 236.359 1.779 20 0 BDADMP C[NH2+]CCC[N@@H+](CCOC)CC(C)C ZINC000042370639 173346718 /nfs/dbraw/zinc/34/67/18/173346718.db2.gz ZXQIRAFZSGQRNL-UHFFFAOYSA-N 2 1 202.342 1.200 20 0 BDADMP C[NH2+]CCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352509817 173347070 /nfs/dbraw/zinc/34/70/70/173347070.db2.gz LDBSHJHFZWYQGX-UHFFFAOYSA-N 3 1 227.396 1.437 20 0 BDADMP C[NH2+]CCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352509817 173347072 /nfs/dbraw/zinc/34/70/72/173347072.db2.gz LDBSHJHFZWYQGX-UHFFFAOYSA-N 3 1 227.396 1.437 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000309741584 173347213 /nfs/dbraw/zinc/34/72/13/173347213.db2.gz HVWWQZJBTRUZBJ-LBPRGKRZSA-N 2 1 222.336 1.167 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000309741584 173347216 /nfs/dbraw/zinc/34/72/16/173347216.db2.gz HVWWQZJBTRUZBJ-LBPRGKRZSA-N 2 1 222.336 1.167 20 0 BDADMP C[NH2+]CCN(C)Cc1cc(OC)cc(C)[nH+]1 ZINC000125975865 173353273 /nfs/dbraw/zinc/35/32/73/173353273.db2.gz LHLZXGXDGVUQNX-UHFFFAOYSA-N 2 1 223.320 1.050 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000011888925 173368275 /nfs/dbraw/zinc/36/82/75/173368275.db2.gz CIZOJMWQOFFNMQ-AWEZNQCLSA-N 2 1 248.370 1.997 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000011888925 173368276 /nfs/dbraw/zinc/36/82/76/173368276.db2.gz CIZOJMWQOFFNMQ-AWEZNQCLSA-N 2 1 248.370 1.997 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000071142029 173371184 /nfs/dbraw/zinc/37/11/84/173371184.db2.gz ZGCZYUOBINBIMJ-LBPRGKRZSA-N 2 1 236.363 1.078 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000071142029 173371185 /nfs/dbraw/zinc/37/11/85/173371185.db2.gz ZGCZYUOBINBIMJ-LBPRGKRZSA-N 2 1 236.363 1.078 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000300215271 174019906 /nfs/dbraw/zinc/01/99/06/174019906.db2.gz VRKSCPQFPRWGPP-QKEWWQLBSA-N 2 1 212.337 1.236 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300215271 174019907 /nfs/dbraw/zinc/01/99/07/174019907.db2.gz VRKSCPQFPRWGPP-QKEWWQLBSA-N 2 1 212.337 1.236 20 0 BDADMP COCC(C)(C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309468923 174072116 /nfs/dbraw/zinc/07/21/16/174072116.db2.gz QDFRGVLRDQEUDK-UHFFFAOYSA-N 2 1 226.364 1.511 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000336724596 174104542 /nfs/dbraw/zinc/10/45/42/174104542.db2.gz UQMYYHYCEIGENW-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000310391128 174106616 /nfs/dbraw/zinc/10/66/16/174106616.db2.gz IYCNATFZWQDWAV-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP COCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368617118 174201830 /nfs/dbraw/zinc/20/18/30/174201830.db2.gz GGMZTLXBEOATBV-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP COCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268807265 174260898 /nfs/dbraw/zinc/26/08/98/174260898.db2.gz LBOUNCJASBIPLF-LLVKDONJSA-N 2 1 225.336 1.596 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC12CCC2 ZINC000337391219 174275789 /nfs/dbraw/zinc/27/57/89/174275789.db2.gz LAZMKMKVXJQEAB-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP COCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371209820 174307566 /nfs/dbraw/zinc/30/75/66/174307566.db2.gz WGERZOBHURRKDM-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371209820 174307568 /nfs/dbraw/zinc/30/75/68/174307568.db2.gz WGERZOBHURRKDM-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000053255878 174337763 /nfs/dbraw/zinc/33/77/63/174337763.db2.gz LPTRGSUZTHBHDP-NSHDSACASA-N 2 1 200.326 1.130 20 0 BDADMP COCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000053255879 174340511 /nfs/dbraw/zinc/34/05/11/174340511.db2.gz LPTRGSUZTHBHDP-LLVKDONJSA-N 2 1 200.326 1.130 20 0 BDADMP COCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000125543028 174382326 /nfs/dbraw/zinc/38/23/26/174382326.db2.gz CVHQSTNNAQBYNP-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP COCC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336764472 174382582 /nfs/dbraw/zinc/38/25/82/174382582.db2.gz QANCZEAQNUGHCY-LLVKDONJSA-N 2 1 212.337 1.263 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000234980299 175260763 /nfs/dbraw/zinc/26/07/63/175260763.db2.gz ZRNUAYCBMQVHPZ-CQSZACIVSA-N 2 1 234.343 1.866 20 0 BDADMP COc1cccc(C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000049330193 175264401 /nfs/dbraw/zinc/26/44/01/175264401.db2.gz DMMPQTSCJCCPAE-UHFFFAOYSA-N 2 1 245.326 1.990 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccnc1 ZINC000342177790 175867691 /nfs/dbraw/zinc/86/76/91/175867691.db2.gz WVDRHEJQTSMILW-SNVBAGLBSA-N 2 1 205.305 1.614 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000357956114 176076358 /nfs/dbraw/zinc/07/63/58/176076358.db2.gz GQDRILFBFXXBIG-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000357956114 176076359 /nfs/dbraw/zinc/07/63/59/176076359.db2.gz GQDRILFBFXXBIG-JHJVBQTASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357956115 176076840 /nfs/dbraw/zinc/07/68/40/176076840.db2.gz GQDRILFBFXXBIG-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357956115 176076843 /nfs/dbraw/zinc/07/68/43/176076843.db2.gz GQDRILFBFXXBIG-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000042610968 176086343 /nfs/dbraw/zinc/08/63/43/176086343.db2.gz POBIOXPYGQSZDP-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358174167 176138628 /nfs/dbraw/zinc/13/86/28/176138628.db2.gz XNPZUJGOTBEZKV-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358174167 176138630 /nfs/dbraw/zinc/13/86/30/176138630.db2.gz XNPZUJGOTBEZKV-RDBSUJKOSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccn1C ZINC000290645750 176268529 /nfs/dbraw/zinc/26/85/29/176268529.db2.gz YVTNWSSJLZHSDB-TZMCWYRMSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccn1C ZINC000290645750 176268530 /nfs/dbraw/zinc/26/85/30/176268530.db2.gz YVTNWSSJLZHSDB-TZMCWYRMSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccn1C ZINC000290645750 176268531 /nfs/dbraw/zinc/26/85/31/176268531.db2.gz YVTNWSSJLZHSDB-TZMCWYRMSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccn1C ZINC000290645750 176268532 /nfs/dbraw/zinc/26/85/32/176268532.db2.gz YVTNWSSJLZHSDB-TZMCWYRMSA-N 2 1 235.375 1.797 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000336777253 176268953 /nfs/dbraw/zinc/26/89/53/176268953.db2.gz HUUICFRUQUERKZ-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000336676995 176269166 /nfs/dbraw/zinc/26/91/66/176269166.db2.gz BICKYZBRCVMHID-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1=CCCOC1 ZINC000336526523 176269206 /nfs/dbraw/zinc/26/92/06/176269206.db2.gz NDGKUJITANXLKI-TZMCWYRMSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1=CCCOC1 ZINC000336526523 176269207 /nfs/dbraw/zinc/26/92/07/176269207.db2.gz NDGKUJITANXLKI-TZMCWYRMSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1=CCCOC1 ZINC000336526523 176269208 /nfs/dbraw/zinc/26/92/08/176269208.db2.gz NDGKUJITANXLKI-TZMCWYRMSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1=CCCOC1 ZINC000336526523 176269209 /nfs/dbraw/zinc/26/92/09/176269209.db2.gz NDGKUJITANXLKI-TZMCWYRMSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336781217 176269259 /nfs/dbraw/zinc/26/92/59/176269259.db2.gz UCIYIYDWDSGYRQ-OLZOCXBDSA-N 3 1 227.396 1.258 20 0 BDADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336781217 176269262 /nfs/dbraw/zinc/26/92/62/176269262.db2.gz UCIYIYDWDSGYRQ-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000336777256 176271473 /nfs/dbraw/zinc/27/14/73/176271473.db2.gz HUUICFRUQUERKZ-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336781091 176274558 /nfs/dbraw/zinc/27/45/58/176274558.db2.gz TXZZPWSEVLZXQR-LPWJVIDDSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336781091 176274560 /nfs/dbraw/zinc/27/45/60/176274560.db2.gz TXZZPWSEVLZXQR-LPWJVIDDSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336781091 176274561 /nfs/dbraw/zinc/27/45/61/176274561.db2.gz TXZZPWSEVLZXQR-LPWJVIDDSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000111155333 176279076 /nfs/dbraw/zinc/27/90/76/176279076.db2.gz YVAVALSXUFZZIM-BZPMIXESSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1ccnc1 ZINC000041119538 176279081 /nfs/dbraw/zinc/27/90/81/176279081.db2.gz QNZZIYSCIVTMEZ-UPJWGTAASA-N 2 1 236.363 1.201 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000061918643 176286917 /nfs/dbraw/zinc/28/69/17/176286917.db2.gz BJCZEIHCHRDEGB-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124275475 176287907 /nfs/dbraw/zinc/28/79/07/176287907.db2.gz NVEKYAWKJLHEMG-OCCSQVGLSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952303 176288199 /nfs/dbraw/zinc/28/81/99/176288199.db2.gz PMKWMTHLIBIMAP-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1[NH3+] ZINC000300049386 176290051 /nfs/dbraw/zinc/29/00/51/176290051.db2.gz RJURTHQTDCUNJU-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1[NH3+] ZINC000300049386 176290052 /nfs/dbraw/zinc/29/00/52/176290052.db2.gz RJURTHQTDCUNJU-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCF ZINC000368417109 176297174 /nfs/dbraw/zinc/29/71/74/176297174.db2.gz PHODJLYRUDNCDV-FRRDWIJNSA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCF ZINC000368417109 176297175 /nfs/dbraw/zinc/29/71/75/176297175.db2.gz PHODJLYRUDNCDV-FRRDWIJNSA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[C@H]1CC[NH2+]C1 ZINC000251543367 176322570 /nfs/dbraw/zinc/32/25/70/176322570.db2.gz AWCQOOOYMZRYMO-MCIONIFRSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H]1CCC[NH2+]C1 ZINC000094460792 176322966 /nfs/dbraw/zinc/32/29/66/176322966.db2.gz TXVRMESRJJXZSI-MGPQQGTHSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]1CSCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000069762442 176351955 /nfs/dbraw/zinc/35/19/55/176351955.db2.gz JNUARDYALBMLTG-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(C)(C)O)CCN1C ZINC000360457906 176371349 /nfs/dbraw/zinc/37/13/49/176371349.db2.gz XBWAEBHZXPLFRA-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC(C)(C)O)CC[N@@H+]1C ZINC000360457906 176371350 /nfs/dbraw/zinc/37/13/50/176371350.db2.gz XBWAEBHZXPLFRA-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC(C)(C)O)CC[N@H+]1C ZINC000360457906 176371351 /nfs/dbraw/zinc/37/13/51/176371351.db2.gz XBWAEBHZXPLFRA-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(C)(C)O)CC[NH+]1C ZINC000360457906 176371353 /nfs/dbraw/zinc/37/13/53/176371353.db2.gz XBWAEBHZXPLFRA-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(C)(C)O)CC[NH+]1C ZINC000360457906 176371355 /nfs/dbraw/zinc/37/13/55/176371355.db2.gz XBWAEBHZXPLFRA-NEPJUHHUSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000128514508 176375341 /nfs/dbraw/zinc/37/53/41/176375341.db2.gz VYILAFMUQYUVPW-CHWSQXEVSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000128514508 176375342 /nfs/dbraw/zinc/37/53/42/176375342.db2.gz VYILAFMUQYUVPW-CHWSQXEVSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)CC[N@H+]1C ZINC000300358983 176376560 /nfs/dbraw/zinc/37/65/60/176376560.db2.gz CQDAVWVYTDAKPF-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC000090721488 176378238 /nfs/dbraw/zinc/37/82/38/176378238.db2.gz ABBALKRZIRVNSV-YPMHNXCESA-N 2 1 219.332 1.654 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)CC[N@H+]1C ZINC000090721488 176378240 /nfs/dbraw/zinc/37/82/40/176378240.db2.gz ABBALKRZIRVNSV-YPMHNXCESA-N 2 1 219.332 1.654 20 0 BDADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000038041042 176830353 /nfs/dbraw/zinc/83/03/53/176830353.db2.gz RCYSTVRTSXIBRU-JTQLQIEISA-N 2 1 248.326 1.818 20 0 BDADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000042610967 177081220 /nfs/dbraw/zinc/08/12/20/177081220.db2.gz POBIOXPYGQSZDP-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000163460230 177165103 /nfs/dbraw/zinc/16/51/03/177165103.db2.gz GUKHCDKCVBEHKE-AAEUAGOBSA-N 2 1 234.343 1.809 20 0 BDADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000035787523 177246707 /nfs/dbraw/zinc/24/67/07/177246707.db2.gz ONCCOLGQBLIQFL-MNOVXSKESA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251702651 177253802 /nfs/dbraw/zinc/25/38/02/177253802.db2.gz OEKOXZOGQCYOCW-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000336339501 177253924 /nfs/dbraw/zinc/25/39/24/177253924.db2.gz DMCIAUJLENBEFD-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC000336339501 177253925 /nfs/dbraw/zinc/25/39/25/177253925.db2.gz DMCIAUJLENBEFD-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCCO1 ZINC000336339501 177253927 /nfs/dbraw/zinc/25/39/27/177253927.db2.gz DMCIAUJLENBEFD-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000235369618 177257174 /nfs/dbraw/zinc/25/71/74/177257174.db2.gz JLKIDSWYXTVNJX-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000335603234 177294161 /nfs/dbraw/zinc/29/41/61/177294161.db2.gz YFSMIQMZPIOKNR-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(N)=[NH2+])C1 ZINC000303264340 177313582 /nfs/dbraw/zinc/31/35/82/177313582.db2.gz SEUMNNWRBAVHOA-PHIMTYICSA-N 2 1 226.368 1.228 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359220983 177323631 /nfs/dbraw/zinc/32/36/31/177323631.db2.gz OEVUBBWCCYRVKM-AAEUAGOBSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCCSCC2)CC[NH2+]1 ZINC000235699025 177324529 /nfs/dbraw/zinc/32/45/29/177324529.db2.gz XNUNOABKVPJHDB-RYUDHWBXSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccccc1 ZINC000122372241 177324846 /nfs/dbraw/zinc/32/48/46/177324846.db2.gz RVXGLJDHMBPUSE-JSGCOSHPSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H]1C[C@@H](N(C)Cc2cccnc2)CC[N@H+]1C ZINC000177056831 177326752 /nfs/dbraw/zinc/32/67/52/177326752.db2.gz ZZBBUONXOLFMQK-JSGCOSHPSA-N 2 1 233.359 1.996 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)CC[N@H+]1C ZINC000310332224 177330705 /nfs/dbraw/zinc/33/07/05/177330705.db2.gz ZAFYAAJESYRAEK-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2CC(O)C2)CC[N@H+]1C ZINC000309789857 177330898 /nfs/dbraw/zinc/33/08/98/177330898.db2.gz OYMMAGZTPAKKHO-QCXCNERSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC000361756816 177331899 /nfs/dbraw/zinc/33/18/99/177331899.db2.gz OVPLWDSXVZKTEO-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC000361756816 177331900 /nfs/dbraw/zinc/33/19/00/177331900.db2.gz OVPLWDSXVZKTEO-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCN2CC=CCC2)CC[N@H+]1C ZINC000359037478 177332564 /nfs/dbraw/zinc/33/25/64/177332564.db2.gz QWEHEYYZKXVQCU-KBPBESRZSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccnc1 ZINC000049712452 177363941 /nfs/dbraw/zinc/36/39/41/177363941.db2.gz GUBKNOPREMAFPC-CMPLNLGQSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccnc1 ZINC000049712452 177363943 /nfs/dbraw/zinc/36/39/43/177363943.db2.gz GUBKNOPREMAFPC-CMPLNLGQSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1C ZINC000132992568 177364859 /nfs/dbraw/zinc/36/48/59/177364859.db2.gz NKXJFJKKLJMUBG-GXTWGEPZSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000132992568 177364861 /nfs/dbraw/zinc/36/48/61/177364861.db2.gz NKXJFJKKLJMUBG-GXTWGEPZSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000132992568 177364862 /nfs/dbraw/zinc/36/48/62/177364862.db2.gz NKXJFJKKLJMUBG-GXTWGEPZSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH+]1C ZINC000132992568 177364865 /nfs/dbraw/zinc/36/48/65/177364865.db2.gz NKXJFJKKLJMUBG-GXTWGEPZSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH+]1C ZINC000132992568 177364867 /nfs/dbraw/zinc/36/48/67/177364867.db2.gz NKXJFJKKLJMUBG-GXTWGEPZSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCN2CC=CCC2)CC[N@H+]1C ZINC000359037481 177369119 /nfs/dbraw/zinc/36/91/19/177369119.db2.gz QWEHEYYZKXVQCU-UONOGXRCSA-N 2 1 237.391 1.321 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](C)CC1 ZINC000036908598 177369379 /nfs/dbraw/zinc/36/93/79/177369379.db2.gz OYZLVNPZPCHLKQ-DYEKYZERSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000400362177 225097241 /nfs/dbraw/zinc/09/72/41/225097241.db2.gz CKWBIUWQIOMPDW-CRWXNKLISA-N 2 1 237.391 1.343 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000400389321 225142756 /nfs/dbraw/zinc/14/27/56/225142756.db2.gz MUHLFBQSLPFIDS-GRYCIOLGSA-N 2 1 214.353 1.388 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000494911388 226271000 /nfs/dbraw/zinc/27/10/00/226271000.db2.gz UHCDXTVIGBFQFK-MBNYWOFBSA-N 2 1 240.391 1.731 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400493575 226345113 /nfs/dbraw/zinc/34/51/13/226345113.db2.gz AHWSSLWDBBPMCB-YUSALJHKSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000314980960 487669152 /nfs/dbraw/zinc/66/91/52/487669152.db2.gz XNMSAOJEDQLSFF-VXGBXAGGSA-N 2 1 236.363 1.022 20 0 BDADMP Cn1cncc1CCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000314923711 487670252 /nfs/dbraw/zinc/67/02/52/487670252.db2.gz PSZCASUKZQRLPY-UHFFFAOYSA-N 2 1 236.363 1.037 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CC[NH2+]CC1 ZINC000314923711 487670254 /nfs/dbraw/zinc/67/02/54/487670254.db2.gz PSZCASUKZQRLPY-UHFFFAOYSA-N 3 1 236.363 1.037 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000314923711 487670257 /nfs/dbraw/zinc/67/02/57/487670257.db2.gz PSZCASUKZQRLPY-UHFFFAOYSA-N 3 1 236.363 1.037 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[NH3+] ZINC000307648754 229217161 /nfs/dbraw/zinc/21/71/61/229217161.db2.gz FEBKFHNQFWGVDW-CQSZACIVSA-N 2 1 247.386 1.542 20 0 BDADMP Cc1cccnc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000404950857 229239128 /nfs/dbraw/zinc/23/91/28/229239128.db2.gz QHGSBEMLFHPSDD-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP OCC[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000087647741 487673446 /nfs/dbraw/zinc/67/34/46/487673446.db2.gz SPUSMGGZQOSHGB-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOCC1CC1 ZINC000227259433 487685470 /nfs/dbraw/zinc/68/54/70/487685470.db2.gz XVZJPGUJZPNMRF-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000228622647 487695091 /nfs/dbraw/zinc/69/50/91/487695091.db2.gz SKSCISOSDWMJSV-NWDGAFQWSA-N 2 1 219.332 1.559 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000398885348 262772012 /nfs/dbraw/zinc/77/20/12/262772012.db2.gz KJAGTAXMBZDCIW-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000527532933 262860746 /nfs/dbraw/zinc/86/07/46/262860746.db2.gz QQFCKHDLIXDMEQ-GARJFASQSA-N 2 1 210.321 1.038 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717774 487721407 /nfs/dbraw/zinc/72/14/07/487721407.db2.gz YHQAWUMSEZQVSP-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H](CCCCO)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000398632756 487722983 /nfs/dbraw/zinc/72/29/83/487722983.db2.gz SGXUWDPANBEWFH-AAEUAGOBSA-N 2 1 228.380 1.645 20 0 BDADMP CC[N@@H+](CCNC(=O)CCC(C)(C)[NH3+])C1CC1 ZINC000226397756 487731084 /nfs/dbraw/zinc/73/10/84/487731084.db2.gz JRJYTXHYOHUWEL-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP COC(=O)c1cc(C[NH2+][C@@H](C)CC[NH3+])oc1C ZINC000414875045 487733453 /nfs/dbraw/zinc/73/34/53/487733453.db2.gz BQLDDZPXUDDOFK-QMMMGPOBSA-N 2 1 240.303 1.202 20 0 BDADMP C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446180 487741592 /nfs/dbraw/zinc/74/15/92/487741592.db2.gz HJXITIXBKNPWJP-HIFRSBDPSA-N 2 1 248.370 1.479 20 0 BDADMP C(C[N@H+]1CC[C@@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000250820968 487742295 /nfs/dbraw/zinc/74/22/95/487742295.db2.gz GDFVPWRMLFEQFA-ZIAGYGMSSA-N 2 1 237.391 1.156 20 0 BDADMP C(CN1CC[C@@H]([NH+]2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000250820968 487742303 /nfs/dbraw/zinc/74/23/03/487742303.db2.gz GDFVPWRMLFEQFA-ZIAGYGMSSA-N 2 1 237.391 1.156 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)C1CC1 ZINC000675510000 487743613 /nfs/dbraw/zinc/74/36/13/487743613.db2.gz LGVWLPJDEHBXCC-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251543509 487767029 /nfs/dbraw/zinc/76/70/29/487767029.db2.gz AVHDGDZCKLTXJA-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000251543509 487767032 /nfs/dbraw/zinc/76/70/32/487767032.db2.gz AVHDGDZCKLTXJA-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C([NH2+]C[C@H]1CCCOC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000111319964 487772906 /nfs/dbraw/zinc/77/29/06/487772906.db2.gz CUKDYYXYEAOMDQ-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1C[N@@H+](CCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000309863608 487775404 /nfs/dbraw/zinc/77/54/04/487775404.db2.gz DVSONRLBXFMHHN-ZFWWWQNUSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675901421 487790431 /nfs/dbraw/zinc/79/04/31/487790431.db2.gz GCYYUARVGOZCBH-RFGFWPKPSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675901421 487790436 /nfs/dbraw/zinc/79/04/36/487790436.db2.gz GCYYUARVGOZCBH-RFGFWPKPSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[N@H+]([C@H](C)COC)CC[C@H]1[NH3+] ZINC000251728598 487792947 /nfs/dbraw/zinc/79/29/47/487792947.db2.gz KHFKDFUCOOHEBR-GMTAPVOTSA-N 2 1 200.326 1.081 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000251936062 487808595 /nfs/dbraw/zinc/80/85/95/487808595.db2.gz ZTEIRMYOCNCAHD-QWHCGFSZSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000251936062 487808599 /nfs/dbraw/zinc/80/85/99/487808599.db2.gz ZTEIRMYOCNCAHD-QWHCGFSZSA-N 2 1 219.332 1.641 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000414699058 487817851 /nfs/dbraw/zinc/81/78/51/487817851.db2.gz DVXGFSYAHJHBHJ-VXGBXAGGSA-N 2 1 212.337 1.084 20 0 BDADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000252715260 322943856 /nfs/dbraw/zinc/94/38/56/322943856.db2.gz VBRHIENIQIYFBW-QNWHQSFQSA-N 2 1 228.380 1.323 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccnn2CC)CC[C@H]1[NH3+] ZINC000252981162 487841673 /nfs/dbraw/zinc/84/16/73/487841673.db2.gz PXUQDPHHRRMGBZ-WCQYABFASA-N 2 1 236.363 1.462 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccnn2CC)CC[C@H]1[NH3+] ZINC000252981162 487841678 /nfs/dbraw/zinc/84/16/78/487841678.db2.gz PXUQDPHHRRMGBZ-WCQYABFASA-N 2 1 236.363 1.462 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666623360 487847678 /nfs/dbraw/zinc/84/76/78/487847678.db2.gz OYTCHZAQXWIYOJ-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]CCC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000666654502 487852001 /nfs/dbraw/zinc/85/20/01/487852001.db2.gz JZBHDUOYKUGNED-QMMMGPOBSA-N 2 1 208.252 1.039 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000666654502 487852002 /nfs/dbraw/zinc/85/20/02/487852002.db2.gz JZBHDUOYKUGNED-QMMMGPOBSA-N 2 1 208.252 1.039 20 0 BDADMP C[N@H+](Cc1ccc(N)nc1)CC1CC[NH+](C)CC1 ZINC000063121860 487856864 /nfs/dbraw/zinc/85/68/64/487856864.db2.gz PNTQSBDEHNUZLK-UHFFFAOYSA-N 2 1 248.374 1.437 20 0 BDADMP Cc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000666762075 487874266 /nfs/dbraw/zinc/87/42/66/487874266.db2.gz QRRAGIPFXBDFHA-FOSCPWQOSA-N 2 1 247.342 1.468 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000225064945 487876799 /nfs/dbraw/zinc/87/67/99/487876799.db2.gz CNFNVQLWTQCVTA-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CCOc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000666856588 487890949 /nfs/dbraw/zinc/89/09/49/487890949.db2.gz SEQCFURREPGAFP-LBPRGKRZSA-N 2 1 249.358 1.712 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000666855430 487891125 /nfs/dbraw/zinc/89/11/25/487891125.db2.gz REQRCORLYVILCP-SNVBAGLBSA-N 2 1 239.388 1.937 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666859004 487892340 /nfs/dbraw/zinc/89/23/40/487892340.db2.gz UZOJQBBVVRFYJP-FRRDWIJNSA-N 3 1 225.380 1.249 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000666873277 487895331 /nfs/dbraw/zinc/89/53/31/487895331.db2.gz WAGZLFFXTRVXIQ-JQWIXIFHSA-N 2 1 236.363 1.213 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccccn23)CC[NH2+]1 ZINC000666872545 487895553 /nfs/dbraw/zinc/89/55/53/487895553.db2.gz QLDMXEYUNWUHRT-RYUDHWBXSA-N 2 1 244.342 1.564 20 0 BDADMP CCC(C)(C)[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925710963 646436902 /nfs/dbraw/zinc/43/69/02/646436902.db2.gz YOQJDKNQFZQARV-QWRGUYRKSA-N 2 1 214.353 1.389 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCCCO ZINC000679332984 487913741 /nfs/dbraw/zinc/91/37/41/487913741.db2.gz AICPACNCJUJFOF-GFCCVEGCSA-N 2 1 239.363 1.722 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000666968922 487921086 /nfs/dbraw/zinc/92/10/86/487921086.db2.gz IUKNPEGKHGIPIR-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000564471718 322970893 /nfs/dbraw/zinc/97/08/93/322970893.db2.gz ZIYRQHGMQRAMQM-VXGBXAGGSA-N 2 1 235.331 1.450 20 0 BDADMP C[C@@H]1C[C@H](NCc2ccccc2CO)CC[N@H+]1C ZINC000151774656 323026872 /nfs/dbraw/zinc/02/68/72/323026872.db2.gz QUPNLMQCCJDXSY-IUODEOHRSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CO)CC[N@H+]1C ZINC000151774656 323026874 /nfs/dbraw/zinc/02/68/74/323026874.db2.gz QUPNLMQCCJDXSY-IUODEOHRSA-N 2 1 248.370 1.751 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H](C)O ZINC000570037565 323047850 /nfs/dbraw/zinc/04/78/50/323047850.db2.gz BBUFRXKTLCHGMQ-WDEREUQCSA-N 2 1 225.336 1.331 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])on1 ZINC000570507849 323061574 /nfs/dbraw/zinc/06/15/74/323061574.db2.gz GANBQXNILQQHKF-CABZTGNLSA-N 2 1 223.320 1.454 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cncs1 ZINC000570673772 323066644 /nfs/dbraw/zinc/06/66/44/323066644.db2.gz VAPBEDYGGKBZPE-VIFPVBQESA-N 2 1 213.350 1.793 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000570709347 323068021 /nfs/dbraw/zinc/06/80/21/323068021.db2.gz RCMPWIQWMFFINJ-MFKMUULPSA-N 2 1 222.332 1.718 20 0 BDADMP COc1cc(C)nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000563135471 323094639 /nfs/dbraw/zinc/09/46/39/323094639.db2.gz NLLSLCAPVVZKKW-NXEZZACHSA-N 2 1 237.347 1.614 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000563135322 323094654 /nfs/dbraw/zinc/09/46/54/323094654.db2.gz JUUQDVSHSBEGNP-ZDUSSCGKSA-N 2 1 220.316 1.489 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC000563422154 323124134 /nfs/dbraw/zinc/12/41/34/323124134.db2.gz YLVYTJZYBDBQEL-SECBINFHSA-N 2 1 228.286 1.910 20 0 BDADMP CCc1nc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000563422837 323124306 /nfs/dbraw/zinc/12/43/06/323124306.db2.gz CCUXJJQRAQOYMT-GUBZILKMSA-N 2 1 237.351 1.288 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000401833904 323127829 /nfs/dbraw/zinc/12/78/29/323127829.db2.gz HGSSUDWLJKXRTK-YPMHNXCESA-N 2 1 237.347 1.367 20 0 BDADMP CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310427763 323131629 /nfs/dbraw/zinc/13/16/29/323131629.db2.gz RYZKLETVJQYVNK-SGMGOOAPSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310427763 323131630 /nfs/dbraw/zinc/13/16/30/323131630.db2.gz RYZKLETVJQYVNK-SGMGOOAPSA-N 2 1 242.407 1.856 20 0 BDADMP C(C[NH2+][C@H]1CCOC2(CCC2)C1)C[NH+]1CCC1 ZINC000563639030 323133339 /nfs/dbraw/zinc/13/33/39/323133339.db2.gz WTRLOHPVMHFIBF-ZDUSSCGKSA-N 2 1 238.375 1.774 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000571157212 323136947 /nfs/dbraw/zinc/13/69/47/323136947.db2.gz RZUMCJRALUQBNR-UPJWGTAASA-N 3 1 225.380 1.236 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000300359195 323152753 /nfs/dbraw/zinc/15/27/53/323152753.db2.gz GOLXBINVIQAYIH-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP c1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000306344808 323172825 /nfs/dbraw/zinc/17/28/25/323172825.db2.gz CZBIFTHTBQMLLU-UHFFFAOYSA-N 2 1 204.317 1.872 20 0 BDADMP CCOC(=O)C[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094024732 323177680 /nfs/dbraw/zinc/17/76/80/323177680.db2.gz FMZNLLUSQMOXLC-NSHDSACASA-N 2 1 242.363 1.260 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395137293 323188834 /nfs/dbraw/zinc/18/88/34/323188834.db2.gz SOIKNQAOQPQBGK-SDDRHHMPSA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000532212506 323210115 /nfs/dbraw/zinc/21/01/15/323210115.db2.gz RTDUMFZGNGYUGN-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000532531148 323274052 /nfs/dbraw/zinc/27/40/52/323274052.db2.gz SBQRJQNMRXEMOI-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000532531148 323274055 /nfs/dbraw/zinc/27/40/55/323274055.db2.gz SBQRJQNMRXEMOI-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000532531148 323274057 /nfs/dbraw/zinc/27/40/57/323274057.db2.gz SBQRJQNMRXEMOI-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@@H](C)C(C)(C)C)C[C@H]1C[NH3+] ZINC000405865512 487961421 /nfs/dbraw/zinc/96/14/21/487961421.db2.gz PGEUASZDAUBGGH-JHJVBQTASA-N 2 1 242.407 1.964 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225713836 324199777 /nfs/dbraw/zinc/19/97/77/324199777.db2.gz RCDDHLHRFCIKDH-IJLUTSLNSA-N 2 1 214.353 1.328 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]1(C)CO ZINC000545396716 325218617 /nfs/dbraw/zinc/21/86/17/325218617.db2.gz WJBABESBGYWOPY-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]1(C)CO ZINC000545396716 325218619 /nfs/dbraw/zinc/21/86/19/325218619.db2.gz WJBABESBGYWOPY-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]1(C)CO ZINC000545396716 325218622 /nfs/dbraw/zinc/21/86/22/325218622.db2.gz WJBABESBGYWOPY-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP CCOCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003069 325325464 /nfs/dbraw/zinc/32/54/64/325325464.db2.gz CKPOHJDTEKSAJM-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003069 325325466 /nfs/dbraw/zinc/32/54/66/325325466.db2.gz CKPOHJDTEKSAJM-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000564316749 325340886 /nfs/dbraw/zinc/34/08/86/325340886.db2.gz WSXVDIKTBQKAON-ICIURTGMSA-N 2 1 240.391 1.826 20 0 BDADMP COC[C@@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000564316749 325340887 /nfs/dbraw/zinc/34/08/87/325340887.db2.gz WSXVDIKTBQKAON-ICIURTGMSA-N 2 1 240.391 1.826 20 0 BDADMP COC[C@@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000564316749 325340890 /nfs/dbraw/zinc/34/08/90/325340890.db2.gz WSXVDIKTBQKAON-ICIURTGMSA-N 2 1 240.391 1.826 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000565645374 325937846 /nfs/dbraw/zinc/93/78/46/325937846.db2.gz IJRWFIXJROVMRU-ZJUUUORDSA-N 2 1 202.342 1.232 20 0 BDADMP COc1ccccc1/C=C\C[N@@H+](C)CCC[NH3+] ZINC000566225785 326018186 /nfs/dbraw/zinc/01/81/86/326018186.db2.gz LXOXCANXYOVPGW-YVMONPNESA-N 2 1 234.343 1.989 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242947 326021829 /nfs/dbraw/zinc/02/18/29/326021829.db2.gz PBNSTQKCJXUKBB-CYBMUJFWSA-N 2 1 240.347 1.015 20 0 BDADMP CC[C@H](c1nc(C[C@H](C)[NH2+]C)no1)[NH+](C)C ZINC000566914366 326093606 /nfs/dbraw/zinc/09/36/06/326093606.db2.gz MSLYOMAZTRHNGF-DTWKUNHWSA-N 2 1 226.324 1.233 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C(C)C)C1CC1 ZINC000153791951 326113671 /nfs/dbraw/zinc/11/36/71/326113671.db2.gz RDTQGCYMXWITAD-CQSZACIVSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000567521033 326209549 /nfs/dbraw/zinc/20/95/49/326209549.db2.gz NNKKZLHXEODETB-LBPRGKRZSA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000567521033 326209553 /nfs/dbraw/zinc/20/95/53/326209553.db2.gz NNKKZLHXEODETB-LBPRGKRZSA-N 2 1 228.380 1.277 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000567871209 326274050 /nfs/dbraw/zinc/27/40/50/326274050.db2.gz ZRCPYGSKFYRZCF-BJDJZHNGSA-N 3 1 213.369 1.232 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000567871211 326274131 /nfs/dbraw/zinc/27/41/31/326274131.db2.gz ZRCPYGSKFYRZCF-NNYUYHANSA-N 3 1 213.369 1.232 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000313894573 326285411 /nfs/dbraw/zinc/28/54/11/326285411.db2.gz PZYQNQNULWFHAJ-YUTCNCBUSA-N 2 1 249.358 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000313894573 326285413 /nfs/dbraw/zinc/28/54/13/326285413.db2.gz PZYQNQNULWFHAJ-YUTCNCBUSA-N 2 1 249.358 1.055 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]c(C)c2)C[C@@H]1C ZINC000681393059 488002508 /nfs/dbraw/zinc/00/25/08/488002508.db2.gz YQMVVCACOBYEBR-LBPRGKRZSA-N 2 1 219.332 1.920 20 0 BDADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947026 488023993 /nfs/dbraw/zinc/02/39/93/488023993.db2.gz JMCCDHSNEDQKRE-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947026 488023999 /nfs/dbraw/zinc/02/39/99/488023999.db2.gz JMCCDHSNEDQKRE-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947026 488024001 /nfs/dbraw/zinc/02/40/01/488024001.db2.gz JMCCDHSNEDQKRE-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947026 488024005 /nfs/dbraw/zinc/02/40/05/488024005.db2.gz JMCCDHSNEDQKRE-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667504060 488033233 /nfs/dbraw/zinc/03/32/33/488033233.db2.gz GHJXPMDPPKCUTN-UHFFFAOYSA-N 2 1 228.299 1.862 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000309210373 488036588 /nfs/dbraw/zinc/03/65/88/488036588.db2.gz DIJDMEXJIFEWCJ-NEPJUHHUSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000309210373 488036593 /nfs/dbraw/zinc/03/65/93/488036593.db2.gz DIJDMEXJIFEWCJ-NEPJUHHUSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCSC1 ZINC000309210373 488036596 /nfs/dbraw/zinc/03/65/96/488036596.db2.gz DIJDMEXJIFEWCJ-NEPJUHHUSA-N 2 1 246.420 1.125 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000309210373 488036601 /nfs/dbraw/zinc/03/66/01/488036601.db2.gz DIJDMEXJIFEWCJ-NEPJUHHUSA-N 2 1 246.420 1.125 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000663508790 488055787 /nfs/dbraw/zinc/05/57/87/488055787.db2.gz DRUDLQXRVHNIQI-LBPRGKRZSA-N 2 1 240.391 1.923 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000377390489 488071699 /nfs/dbraw/zinc/07/16/99/488071699.db2.gz JTOCPGXQEYMJIG-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)n1C ZINC000667648913 488071497 /nfs/dbraw/zinc/07/14/97/488071497.db2.gz DFVQVNJGQNBJCU-ZYHUDNBSSA-N 2 1 237.347 1.464 20 0 BDADMP CN(C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@H]21)C1CC1 ZINC000355067441 488075681 /nfs/dbraw/zinc/07/56/81/488075681.db2.gz KJWPWVGIKHERAK-KWCYVHTRSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21)C1CC1 ZINC000355067441 488075686 /nfs/dbraw/zinc/07/56/86/488075686.db2.gz KJWPWVGIKHERAK-KWCYVHTRSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21)C1CC1 ZINC000355067441 488075692 /nfs/dbraw/zinc/07/56/92/488075692.db2.gz KJWPWVGIKHERAK-KWCYVHTRSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@H]21)C1CC1 ZINC000355067441 488075696 /nfs/dbraw/zinc/07/56/96/488075696.db2.gz KJWPWVGIKHERAK-KWCYVHTRSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@H]21)C1CC1 ZINC000355067441 488075699 /nfs/dbraw/zinc/07/56/99/488075699.db2.gz KJWPWVGIKHERAK-KWCYVHTRSA-N 2 1 238.375 1.316 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257734374 488086195 /nfs/dbraw/zinc/08/61/95/488086195.db2.gz XQFMFQRNGIJXGT-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257734374 488086199 /nfs/dbraw/zinc/08/61/99/488086199.db2.gz XQFMFQRNGIJXGT-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCCOC[C@@H]1C ZINC000683141321 488118212 /nfs/dbraw/zinc/11/82/12/488118212.db2.gz DZDUFLMXEYHLPS-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCCOC[C@@H]1C ZINC000683141321 488118216 /nfs/dbraw/zinc/11/82/16/488118216.db2.gz DZDUFLMXEYHLPS-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CCC[NH+]1CCC([NH2+]C2([C@H](C)O)CC2)CC1 ZINC000668698365 488130384 /nfs/dbraw/zinc/13/03/84/488130384.db2.gz AVEGDFMUICKISW-NSHDSACASA-N 2 1 226.364 1.364 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCC2(CC2)CC1)C1CC1 ZINC000685569974 487551442 /nfs/dbraw/zinc/55/14/42/487551442.db2.gz JIFQJFGOUOXJJO-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CC2)CC1)C1CC1 ZINC000685569974 487551447 /nfs/dbraw/zinc/55/14/47/487551447.db2.gz JIFQJFGOUOXJJO-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785263 487531611 /nfs/dbraw/zinc/53/16/11/487531611.db2.gz OZEINANGRPAZCA-MGPQQGTHSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C2CCC1CC2 ZINC000399415439 487484549 /nfs/dbraw/zinc/48/45/49/487484549.db2.gz SHQPEMGBDGJEGX-WXRRBKDZSA-N 2 1 226.364 1.314 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C2CCC1CC2 ZINC000399415439 487484542 /nfs/dbraw/zinc/48/45/42/487484542.db2.gz SHQPEMGBDGJEGX-WXRRBKDZSA-N 2 1 226.364 1.314 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])O1 ZINC000227065691 487492289 /nfs/dbraw/zinc/49/22/89/487492289.db2.gz AEPSZJSPSCWIPF-LPWJVIDDSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])O1 ZINC000227065691 487492296 /nfs/dbraw/zinc/49/22/96/487492296.db2.gz AEPSZJSPSCWIPF-LPWJVIDDSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C)C1 ZINC000381082181 487495701 /nfs/dbraw/zinc/49/57/01/487495701.db2.gz RRCKWKSEGOMDKE-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000381082181 487495704 /nfs/dbraw/zinc/49/57/04/487495704.db2.gz RRCKWKSEGOMDKE-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000381082181 487495710 /nfs/dbraw/zinc/49/57/10/487495710.db2.gz RRCKWKSEGOMDKE-LBPRGKRZSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1C ZINC000381101008 487497544 /nfs/dbraw/zinc/49/75/44/487497544.db2.gz XVRYJCMNNHOKJT-UPJWGTAASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000381101008 487497547 /nfs/dbraw/zinc/49/75/47/487497547.db2.gz XVRYJCMNNHOKJT-UPJWGTAASA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000381101008 487497549 /nfs/dbraw/zinc/49/75/49/487497549.db2.gz XVRYJCMNNHOKJT-UPJWGTAASA-N 2 1 228.380 1.418 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000334326126 487501873 /nfs/dbraw/zinc/50/18/73/487501873.db2.gz BNCCJMIPUXWHDR-OAHLLOKOSA-N 2 1 245.370 1.844 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000662274655 487523652 /nfs/dbraw/zinc/52/36/52/487523652.db2.gz ZGCYBKBQOMCOSJ-GHMZBOCLSA-N 2 1 248.317 1.614 20 0 BDADMP COCC(C)(C)C[N@@H+](C)CCC[NH+](C)C ZINC000685452049 487525477 /nfs/dbraw/zinc/52/54/77/487525477.db2.gz JHQAAOASJYUXID-UHFFFAOYSA-N 2 1 216.369 1.543 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000157895035 487579455 /nfs/dbraw/zinc/57/94/55/487579455.db2.gz CDUMVBXKIJGCDL-OLZOCXBDSA-N 2 1 226.364 1.472 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250536333 487734214 /nfs/dbraw/zinc/73/42/14/487734214.db2.gz TVJQODNBKXKMBG-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000413450642 487782325 /nfs/dbraw/zinc/78/23/25/487782325.db2.gz YPXORQDQZFHPBZ-ZDUSSCGKSA-N 2 1 248.374 1.659 20 0 BDADMP Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000413450642 487782329 /nfs/dbraw/zinc/78/23/29/487782329.db2.gz YPXORQDQZFHPBZ-ZDUSSCGKSA-N 2 1 248.374 1.659 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000681548437 487812437 /nfs/dbraw/zinc/81/24/37/487812437.db2.gz YPLFWUMLOGAILB-VIFPVBQESA-N 2 1 233.319 1.345 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000093210219 488139352 /nfs/dbraw/zinc/13/93/52/488139352.db2.gz BWMSSJYTMXYMHS-UONOGXRCSA-N 3 1 239.407 1.722 20 0 BDADMP C[N@@H+](CCC1CCC1)CCN1CC[NH2+]CC1 ZINC000258922671 488142449 /nfs/dbraw/zinc/14/24/49/488142449.db2.gz NVJGBNARIJHGGG-UHFFFAOYSA-N 2 1 225.380 1.014 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1ccnn1C ZINC000230745512 488150599 /nfs/dbraw/zinc/15/05/99/488150599.db2.gz SPAWECSDJGCLLO-YPMHNXCESA-N 2 1 236.363 1.164 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1ccnn1C ZINC000230745512 488150603 /nfs/dbraw/zinc/15/06/03/488150603.db2.gz SPAWECSDJGCLLO-YPMHNXCESA-N 2 1 236.363 1.164 20 0 BDADMP CC(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655679584 488168591 /nfs/dbraw/zinc/16/85/91/488168591.db2.gz CCYPCHDNVHPONI-ZDUSSCGKSA-N 2 1 226.364 1.485 20 0 BDADMP FC1(F)CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000259583635 488180612 /nfs/dbraw/zinc/18/06/12/488180612.db2.gz UPAPGGXHUHYRIF-SNVBAGLBSA-N 2 1 218.291 1.717 20 0 BDADMP FC1(F)CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000259583635 488180615 /nfs/dbraw/zinc/18/06/15/488180615.db2.gz UPAPGGXHUHYRIF-SNVBAGLBSA-N 2 1 218.291 1.717 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740868 488193658 /nfs/dbraw/zinc/19/36/58/488193658.db2.gz XWLZABWWCNOEGI-YRGRVCCFSA-N 2 1 238.375 1.173 20 0 BDADMP c1nc2n(c1C[N@H+]1CCC13CCOCC3)CCC2 ZINC000668068219 488197356 /nfs/dbraw/zinc/19/73/56/488197356.db2.gz GRTUFLCHWZHNCT-UHFFFAOYSA-N 2 1 247.342 1.584 20 0 BDADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cn[nH]c2)C1 ZINC000678285539 488236857 /nfs/dbraw/zinc/23/68/57/488236857.db2.gz MCHJMNHVNZKGAR-ZDUSSCGKSA-N 2 1 248.374 1.573 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]cc2C)C[C@H]1C ZINC000684579376 488328658 /nfs/dbraw/zinc/32/86/58/488328658.db2.gz JJWOBTLJKFNEGL-GFCCVEGCSA-N 2 1 219.332 1.920 20 0 BDADMP CCc1nc(NC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000045950896 490156236 /nfs/dbraw/zinc/15/62/36/490156236.db2.gz RKJIBAVGCLGJPU-UHFFFAOYSA-N 2 1 220.320 1.511 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401893121 490589120 /nfs/dbraw/zinc/58/91/20/490589120.db2.gz YYTTZYMDOGDOJG-YPMHNXCESA-N 2 1 237.347 1.510 20 0 BDADMP C[C@@H]1COCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123900093 491121101 /nfs/dbraw/zinc/12/11/01/491121101.db2.gz NFUREPFQOPDNDR-GFCCVEGCSA-N 2 1 246.354 1.553 20 0 BDADMP C[C@@H]1COCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123900093 491121102 /nfs/dbraw/zinc/12/11/02/491121102.db2.gz NFUREPFQOPDNDR-GFCCVEGCSA-N 2 1 246.354 1.553 20 0 BDADMP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCC[NH2+]1 ZINC000400565258 533870378 /nfs/dbraw/zinc/87/03/78/533870378.db2.gz MEVPMTOIXARXTF-SMDDNHRTSA-N 2 1 234.343 1.665 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000248799425 535598176 /nfs/dbraw/zinc/59/81/76/535598176.db2.gz ZUHIRCTYPOUTSQ-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CCn1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000168553443 536057806 /nfs/dbraw/zinc/05/78/06/536057806.db2.gz UEPNPCWFJMTQJU-PWSUYJOCSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000168553443 536057810 /nfs/dbraw/zinc/05/78/10/536057810.db2.gz UEPNPCWFJMTQJU-PWSUYJOCSA-N 2 1 222.336 1.072 20 0 BDADMP CN1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250634376 536345108 /nfs/dbraw/zinc/34/51/08/536345108.db2.gz RUJRPWLDIOLMRT-KBPBESRZSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250634376 536345109 /nfs/dbraw/zinc/34/51/09/536345109.db2.gz RUJRPWLDIOLMRT-KBPBESRZSA-N 2 1 237.391 1.297 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001172919802 974966984 /nfs/dbraw/zinc/96/69/84/974966984.db2.gz XETWWWIVGIWJSN-UWVGGRQHSA-N 2 1 200.326 1.271 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)C[NH+](C)C(C)C ZINC000174653008 527966170 /nfs/dbraw/zinc/96/61/70/527966170.db2.gz AZINWMGUCCELOV-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](CC)CCNC(=O)C[N@H+](C)C(C)C ZINC000174653008 527966176 /nfs/dbraw/zinc/96/61/76/527966176.db2.gz AZINWMGUCCELOV-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](CC)CCNC(=O)C[N@@H+](C)C(C)C ZINC000174653008 527966179 /nfs/dbraw/zinc/96/61/79/527966179.db2.gz AZINWMGUCCELOV-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000475354276 528267678 /nfs/dbraw/zinc/26/76/78/528267678.db2.gz SMCQOMYAUNVBJX-MCIONIFRSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400551015 528824187 /nfs/dbraw/zinc/82/41/87/528824187.db2.gz XNPGPEOOHWBGTA-NEPJUHHUSA-N 2 1 213.369 1.057 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](C)OC)C1 ZINC000252714952 534957470 /nfs/dbraw/zinc/95/74/70/534957470.db2.gz UEARPKZPHJVKFD-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261976827 535157397 /nfs/dbraw/zinc/15/73/97/535157397.db2.gz RDGIDUNLVUMRFF-XQQFMLRXSA-N 2 1 238.375 1.533 20 0 BDADMP CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261552154 535185886 /nfs/dbraw/zinc/18/58/86/535185886.db2.gz QZIOQVCBIGPNBK-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)C[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000261558319 535284499 /nfs/dbraw/zinc/28/44/99/535284499.db2.gz YCDNNLPAVPTBKJ-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250373233 535293205 /nfs/dbraw/zinc/29/32/05/535293205.db2.gz XGXUYAWSZFAZRK-NEPJUHHUSA-N 2 1 226.364 1.364 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000223140226 535301596 /nfs/dbraw/zinc/30/15/96/535301596.db2.gz WVUABACHWGUDGS-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000223140226 535301601 /nfs/dbraw/zinc/30/16/01/535301601.db2.gz WVUABACHWGUDGS-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CCC(C)(C)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000261555729 535350872 /nfs/dbraw/zinc/35/08/72/535350872.db2.gz VEQFBESKUYVJJH-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP CCC(C)(C)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000261555729 535350870 /nfs/dbraw/zinc/35/08/70/535350870.db2.gz VEQFBESKUYVJJH-NSHDSACASA-N 2 1 214.353 1.472 20 0 BDADMP CC[NH2+]CC1CCN(CC(C)(C)[NH3+])CC1 ZINC000261585787 535458297 /nfs/dbraw/zinc/45/82/97/535458297.db2.gz QPQQJCOMFRUCQD-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250565709 535551913 /nfs/dbraw/zinc/55/19/13/535551913.db2.gz VASQPDOOOQYKPS-STQMWFEESA-N 2 1 226.364 1.629 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)OC)C1 ZINC000174214798 535597375 /nfs/dbraw/zinc/59/73/75/535597375.db2.gz LPKQGNHDXDWGLU-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)OC)C1 ZINC000174214798 535597377 /nfs/dbraw/zinc/59/73/77/535597377.db2.gz LPKQGNHDXDWGLU-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000348358693 535804250 /nfs/dbraw/zinc/80/42/50/535804250.db2.gz PMQNYFSOHSQIGJ-OLZOCXBDSA-N 2 1 237.347 1.739 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@H]1CCOC1 ZINC000166302052 535804439 /nfs/dbraw/zinc/80/44/39/535804439.db2.gz GHOORAZAQHVHSO-MJBXVCDLSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1O ZINC000348128885 535860098 /nfs/dbraw/zinc/86/00/98/535860098.db2.gz QNFHEFHYSIFJGI-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC000348128885 535860103 /nfs/dbraw/zinc/86/01/03/535860103.db2.gz QNFHEFHYSIFJGI-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC000348128885 535860107 /nfs/dbraw/zinc/86/01/07/535860107.db2.gz QNFHEFHYSIFJGI-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000226326931 536344310 /nfs/dbraw/zinc/34/43/10/536344310.db2.gz VKCCROOFUYKKBO-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000224315038 536344658 /nfs/dbraw/zinc/34/46/58/536344658.db2.gz ZRORNDWLQVPWTF-JTQLQIEISA-N 2 1 214.378 1.423 20 0 BDADMP C[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250634376 536345105 /nfs/dbraw/zinc/34/51/05/536345105.db2.gz RUJRPWLDIOLMRT-KBPBESRZSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](C)(O)C1 ZINC000252727949 536353744 /nfs/dbraw/zinc/35/37/44/536353744.db2.gz TVGZXACRYXXBJO-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@](C)(O)C1 ZINC000252727949 536353747 /nfs/dbraw/zinc/35/37/47/536353747.db2.gz TVGZXACRYXXBJO-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@](C)(O)C1 ZINC000252727949 536353749 /nfs/dbraw/zinc/35/37/49/536353749.db2.gz TVGZXACRYXXBJO-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527496 536362088 /nfs/dbraw/zinc/36/20/88/536362088.db2.gz BXUSHVPCXAKQEC-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527496 536362090 /nfs/dbraw/zinc/36/20/90/536362090.db2.gz BXUSHVPCXAKQEC-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](O)C1(C)C ZINC000335722226 536371005 /nfs/dbraw/zinc/37/10/05/536371005.db2.gz WGEJNZYDGUINPI-VXGBXAGGSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000335722226 536371007 /nfs/dbraw/zinc/37/10/07/536371007.db2.gz WGEJNZYDGUINPI-VXGBXAGGSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](O)C1(C)C ZINC000335722226 536371008 /nfs/dbraw/zinc/37/10/08/536371008.db2.gz WGEJNZYDGUINPI-VXGBXAGGSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)CC1(C)C ZINC000334345229 536390628 /nfs/dbraw/zinc/39/06/28/536390628.db2.gz ONNYQXGNOKKHOO-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](C)CC1(C)C ZINC000334345229 536390630 /nfs/dbraw/zinc/39/06/30/536390630.db2.gz ONNYQXGNOKKHOO-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+](C)CC1(C)C ZINC000334345229 536390633 /nfs/dbraw/zinc/39/06/33/536390633.db2.gz ONNYQXGNOKKHOO-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261563699 536691568 /nfs/dbraw/zinc/69/15/68/536691568.db2.gz XELDUGADKPBUDI-GWCFXTLKSA-N 2 1 235.331 1.320 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000261532093 536708670 /nfs/dbraw/zinc/70/86/70/536708670.db2.gz JBXNIGCPVRZBTO-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000087478211 536716053 /nfs/dbraw/zinc/71/60/53/536716053.db2.gz XTIKRBMDDZPPHE-GFCCVEGCSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccccn1 ZINC000853097927 588719545 /nfs/dbraw/zinc/71/95/45/588719545.db2.gz DFNVWSOSTOTJFH-YPMHNXCESA-N 2 1 237.347 1.045 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccn2)CC[N@@H+]1C ZINC000853100276 588720010 /nfs/dbraw/zinc/72/00/10/588720010.db2.gz BCJLWRFLGLLZQS-DYEKYZERSA-N 2 1 249.358 1.187 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccn2)CC[N@H+]1C ZINC000853100276 588720011 /nfs/dbraw/zinc/72/00/11/588720011.db2.gz BCJLWRFLGLLZQS-DYEKYZERSA-N 2 1 249.358 1.187 20 0 BDADMP c1cc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)co1 ZINC000112839209 588818588 /nfs/dbraw/zinc/81/85/88/588818588.db2.gz TVJUSGJUPREALY-CHWSQXEVSA-N 2 1 236.315 1.232 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000113370870 588838107 /nfs/dbraw/zinc/83/81/07/588838107.db2.gz LXRAYOBCOLJKFC-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP CC[NH+](CC)[C@H](C)CNc1cc(NC)[nH+]cn1 ZINC000891790247 582722053 /nfs/dbraw/zinc/72/20/53/582722053.db2.gz VNZUVGYYLWOFOZ-SNVBAGLBSA-N 2 1 237.351 1.661 20 0 BDADMP C[C@H]1OCC[N@@H+](CC2CC[NH+](C)CC2)[C@@H]1C ZINC000892048175 582772688 /nfs/dbraw/zinc/77/26/88/582772688.db2.gz IAZZORHYRIOUPK-VXGBXAGGSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000892080322 582786710 /nfs/dbraw/zinc/78/67/10/582786710.db2.gz FHZBKDICHFKZNA-GFCCVEGCSA-N 2 1 249.358 1.138 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C)COC(C)=O ZINC000893321647 583100423 /nfs/dbraw/zinc/10/04/23/583100423.db2.gz FQYYPLHKYQENBA-NSHDSACASA-N 2 1 230.352 1.260 20 0 BDADMP CCn1cc(CC[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000857083676 588886561 /nfs/dbraw/zinc/88/65/61/588886561.db2.gz GXEAITHUBFFTNG-LBPRGKRZSA-N 2 1 236.363 1.116 20 0 BDADMP Cc1cc(N)nc(N[C@@H](C)C[N@H+](C)C(C)C)[nH+]1 ZINC000893905158 583242874 /nfs/dbraw/zinc/24/28/74/583242874.db2.gz MECIZIFGYJZIIK-JTQLQIEISA-N 2 1 237.351 1.508 20 0 BDADMP Cc1cc(N)nc(N[C@@H](C)C[N@@H+](C)C(C)C)[nH+]1 ZINC000893905158 583242876 /nfs/dbraw/zinc/24/28/76/583242876.db2.gz MECIZIFGYJZIIK-JTQLQIEISA-N 2 1 237.351 1.508 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCOCC3)CC[C@@H]21 ZINC000877744556 583345273 /nfs/dbraw/zinc/34/52/73/583345273.db2.gz VKOFIEHOBXNYKM-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCOCC3)CC[C@@H]21 ZINC000877744556 583345275 /nfs/dbraw/zinc/34/52/75/583345275.db2.gz VKOFIEHOBXNYKM-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCOCC3)CC[C@@H]21 ZINC000877744556 583345277 /nfs/dbraw/zinc/34/52/77/583345277.db2.gz VKOFIEHOBXNYKM-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCOCC3)CC[C@@H]21 ZINC000877744556 583345279 /nfs/dbraw/zinc/34/52/79/583345279.db2.gz VKOFIEHOBXNYKM-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+](C)CC1CCC([NH2+]Cc2c[nH]cn2)CC1 ZINC000894357640 583435569 /nfs/dbraw/zinc/43/55/69/583435569.db2.gz WFTDEHJZBWSGPR-UHFFFAOYSA-N 2 1 236.363 1.620 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](CNc2nccn3c[nH+]cc23)C1 ZINC000894427857 583456973 /nfs/dbraw/zinc/45/69/73/583456973.db2.gz PNCSSHVGJSYTGC-PHIMTYICSA-N 2 1 245.330 1.481 20 0 BDADMP Cc1cc(N)nc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)[nH+]1 ZINC000894475960 583470033 /nfs/dbraw/zinc/47/00/33/583470033.db2.gz LEXVZNRYPYLUAO-JTQLQIEISA-N 2 1 249.362 1.652 20 0 BDADMP Cc1cc(N)nc(NC[C@@H]2CC[N@H+]2C(C)(C)C)[nH+]1 ZINC000894475960 583470035 /nfs/dbraw/zinc/47/00/35/583470035.db2.gz LEXVZNRYPYLUAO-JTQLQIEISA-N 2 1 249.362 1.652 20 0 BDADMP OCC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH]cn1 ZINC000894664839 583502494 /nfs/dbraw/zinc/50/24/94/583502494.db2.gz SZHIMGGHFXAOGQ-ZDUSSCGKSA-N 2 1 245.326 1.493 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857859615 588914562 /nfs/dbraw/zinc/91/45/62/588914562.db2.gz HFPIRUYJSGOOQD-ZDUSSCGKSA-N 2 1 246.358 1.639 20 0 BDADMP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857859615 588914563 /nfs/dbraw/zinc/91/45/63/588914563.db2.gz HFPIRUYJSGOOQD-ZDUSSCGKSA-N 2 1 246.358 1.639 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857859615 588914564 /nfs/dbraw/zinc/91/45/64/588914564.db2.gz HFPIRUYJSGOOQD-ZDUSSCGKSA-N 2 1 246.358 1.639 20 0 BDADMP CCc1onc(C)c1C[N@@H+](C)CC1CN(C)C1 ZINC000895361951 583661085 /nfs/dbraw/zinc/66/10/85/583661085.db2.gz HZFMQJCRRHTPGY-UHFFFAOYSA-N 2 1 237.347 1.539 20 0 BDADMP C[C@@H]1[C@@H](Nc2cc(N)[nH+]cc2Cl)CC[N@H+]1C ZINC000895735478 583717405 /nfs/dbraw/zinc/71/74/05/583717405.db2.gz VHRJMETYYLUMRM-APPZFPTMSA-N 2 1 240.738 1.822 20 0 BDADMP C[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1C1CC1 ZINC000895768401 583723770 /nfs/dbraw/zinc/72/37/70/583723770.db2.gz ZEJXAPKKFRHBHH-LLVKDONJSA-N 2 1 217.316 1.497 20 0 BDADMP CO[C@H](CNCc1cc(N(C)C)cc[nH+]1)C1CC1 ZINC000896299188 583789795 /nfs/dbraw/zinc/78/97/95/583789795.db2.gz VRWLEKRFPFPJTI-CQSZACIVSA-N 2 1 249.358 1.662 20 0 BDADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000864450831 584004994 /nfs/dbraw/zinc/00/49/94/584004994.db2.gz CRTHIJQLJQHGGJ-WOPDTQHZSA-N 2 1 238.379 1.241 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 ZINC000864452304 584005392 /nfs/dbraw/zinc/00/53/92/584005392.db2.gz MHKYVBLCXKCOFP-NSHDSACASA-N 2 1 240.395 1.631 20 0 BDADMP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000865734093 584027141 /nfs/dbraw/zinc/02/71/41/584027141.db2.gz ILSQSYCNBFRTSX-XYPYZODXSA-N 2 1 214.378 1.564 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000898308141 584109853 /nfs/dbraw/zinc/10/98/53/584109853.db2.gz PQKFHRZXTJOSBP-CYBMUJFWSA-N 2 1 242.407 1.933 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)CC[N@@H+]1C ZINC000898380768 584114839 /nfs/dbraw/zinc/11/48/39/584114839.db2.gz VBGBFXWMKBTYIC-ZRJCITRHSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)CC[N@H+]1C ZINC000898380768 584114841 /nfs/dbraw/zinc/11/48/41/584114841.db2.gz VBGBFXWMKBTYIC-ZRJCITRHSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000841065154 584127373 /nfs/dbraw/zinc/12/73/73/584127373.db2.gz YEJUYBHUPVXHFM-ONGXEEELSA-N 2 1 239.750 1.823 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(CO)c1 ZINC000902413051 584587712 /nfs/dbraw/zinc/58/77/12/584587712.db2.gz HBJCYCKHTYURKP-SNVBAGLBSA-N 2 1 220.316 1.321 20 0 BDADMP Cc1nc2c(s1)[C@@H]([NH2+]CC1([NH3+])CC1)CCC2 ZINC000902416320 584590702 /nfs/dbraw/zinc/59/07/02/584590702.db2.gz MWJSMPRDHLWIRV-VIFPVBQESA-N 2 1 237.372 1.910 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)[C@H]1CCC[NH2+]1 ZINC000902428769 584594885 /nfs/dbraw/zinc/59/48/85/584594885.db2.gz HUNCCFJZQLHSTI-IGHBBLSQSA-N 2 1 238.375 1.674 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000902431731 584595630 /nfs/dbraw/zinc/59/56/30/584595630.db2.gz UFTFMULUGTYLHT-XQQFMLRXSA-N 2 1 238.375 1.674 20 0 BDADMP COc1ccc2c(c1)C[C@H]([NH2+]CC1([NH3+])CC1)CC2 ZINC000902413311 584599853 /nfs/dbraw/zinc/59/98/53/584599853.db2.gz JYJQMYQHJTZISZ-CYBMUJFWSA-N 2 1 246.354 1.633 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H](C)C1 ZINC000902472933 584601064 /nfs/dbraw/zinc/60/10/64/584601064.db2.gz LZPMZDLMKOMZNI-MQLXINIDSA-N 2 1 237.391 1.199 20 0 BDADMP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@H]1CCCSC1 ZINC000902476027 584602953 /nfs/dbraw/zinc/60/29/53/584602953.db2.gz MABNLOVVBSOPDN-VPOLOUISSA-N 2 1 212.362 1.365 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC2(C)C)C[N@H+]1C1CC1 ZINC000902448954 584605466 /nfs/dbraw/zinc/60/54/66/584605466.db2.gz KBLOOKQGZPZWDJ-NTZNESFSSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H](NCC[N@H+]1CCC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902454170 584608838 /nfs/dbraw/zinc/60/88/38/584608838.db2.gz GPPIJCZPZFFECV-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000902455172 584609308 /nfs/dbraw/zinc/60/93/08/584609308.db2.gz KDPJOKLTQSSLAW-QWHCGFSZSA-N 2 1 239.407 1.435 20 0 BDADMP CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000902455172 584609309 /nfs/dbraw/zinc/60/93/09/584609309.db2.gz KDPJOKLTQSSLAW-QWHCGFSZSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)NCC[N@H+]1CCC(C)(C)C1 ZINC000902455125 584609315 /nfs/dbraw/zinc/60/93/15/584609315.db2.gz JDVWRVXEMIYSNY-VXGBXAGGSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCC(C)(C)C1 ZINC000902455125 584609317 /nfs/dbraw/zinc/60/93/17/584609317.db2.gz JDVWRVXEMIYSNY-VXGBXAGGSA-N 2 1 227.396 1.434 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000902457009 584610242 /nfs/dbraw/zinc/61/02/42/584610242.db2.gz RQKOVOFPVBSZSZ-NWDGAFQWSA-N 2 1 225.380 1.188 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000902457011 584610524 /nfs/dbraw/zinc/61/05/24/584610524.db2.gz RQKOVOFPVBSZSZ-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C1C[C@H]2C[C@@H](N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC[N@H+]2C1 ZINC000902470847 584616660 /nfs/dbraw/zinc/61/66/60/584616660.db2.gz HRZQXTNTZMTROF-QSLWVIQJSA-N 2 1 235.375 1.096 20 0 BDADMP C1C[C@H]2C[C@H](N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC[N@H+]2C1 ZINC000902470845 584616793 /nfs/dbraw/zinc/61/67/93/584616793.db2.gz HRZQXTNTZMTROF-MEBFFEOJSA-N 2 1 235.375 1.096 20 0 BDADMP N[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2ccccc21 ZINC000902490107 584617452 /nfs/dbraw/zinc/61/74/52/584617452.db2.gz SDZMIULOZYXGBP-TXFQPVFDSA-N 2 1 231.343 1.458 20 0 BDADMP [NH3+]C[C@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000902490107 584617453 /nfs/dbraw/zinc/61/74/53/584617453.db2.gz SDZMIULOZYXGBP-TXFQPVFDSA-N 2 1 231.343 1.458 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H](O)C2CC2)c2ccccc21 ZINC000902506609 584622304 /nfs/dbraw/zinc/62/23/04/584622304.db2.gz YRBPOANGNRVYFC-QLFBSQMISA-N 2 1 246.354 1.882 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902481228 584622936 /nfs/dbraw/zinc/62/29/36/584622936.db2.gz BSLYEXUGNYJZGO-RYUDHWBXSA-N 2 1 214.353 1.533 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000902482983 584624335 /nfs/dbraw/zinc/62/43/35/584624335.db2.gz OHYMQLZCYSYTDU-QWHCGFSZSA-N 2 1 228.380 1.779 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000902487730 584626796 /nfs/dbraw/zinc/62/67/96/584626796.db2.gz LXASAWKBOPQVPJ-CYDGBPFRSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000902487730 584626798 /nfs/dbraw/zinc/62/67/98/584626798.db2.gz LXASAWKBOPQVPJ-CYDGBPFRSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000902517107 584629944 /nfs/dbraw/zinc/62/99/44/584629944.db2.gz HDTJPVAZAXGNFE-AHLTXXRQSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H]1C ZINC000903093460 584729253 /nfs/dbraw/zinc/72/92/53/584729253.db2.gz RHAHYLLUZPCSBM-BJJPWKGXSA-N 2 1 242.407 1.569 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201821 584735552 /nfs/dbraw/zinc/73/55/52/584735552.db2.gz OLACNCNALWQVDC-BXUZGUMPSA-N 2 1 248.374 1.187 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000903201821 584735554 /nfs/dbraw/zinc/73/55/54/584735554.db2.gz OLACNCNALWQVDC-BXUZGUMPSA-N 2 1 248.374 1.187 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C)[C@H](C)C1 ZINC000903321606 584746785 /nfs/dbraw/zinc/74/67/85/584746785.db2.gz AXOQWOHIYNEDNS-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP C[N@@H+]1CC[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000903324043 584747398 /nfs/dbraw/zinc/74/73/98/584747398.db2.gz UDKWVXYFPSTWJA-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@H+]1CC[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000903324043 584747399 /nfs/dbraw/zinc/74/73/99/584747399.db2.gz UDKWVXYFPSTWJA-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)on1 ZINC000903430890 584761457 /nfs/dbraw/zinc/76/14/57/584761457.db2.gz GSTVGAKAUQCIBC-KGYLQXTDSA-N 2 1 249.358 1.975 20 0 BDADMP Cc1cc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)on1 ZINC000903430890 584761458 /nfs/dbraw/zinc/76/14/58/584761458.db2.gz GSTVGAKAUQCIBC-KGYLQXTDSA-N 2 1 249.358 1.975 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000903441426 584763826 /nfs/dbraw/zinc/76/38/26/584763826.db2.gz RPMHWGHIFJKOQQ-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903425016 584764919 /nfs/dbraw/zinc/76/49/19/584764919.db2.gz ORIBUMJJWUTFKB-NDBYEHHHSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CN ZINC000903424826 584764941 /nfs/dbraw/zinc/76/49/41/584764941.db2.gz HYVDZQLRGNEJAK-RNJOBUHISA-N 2 1 225.380 1.173 20 0 BDADMP C[C@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000903424826 584764942 /nfs/dbraw/zinc/76/49/42/584764942.db2.gz HYVDZQLRGNEJAK-RNJOBUHISA-N 2 1 225.380 1.173 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCC([NH3+])CC1 ZINC000903424750 584765026 /nfs/dbraw/zinc/76/50/26/584765026.db2.gz DUBOXQQKUVOQQK-IGJPJIBNSA-N 3 1 225.380 1.316 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000903461186 584766522 /nfs/dbraw/zinc/76/65/22/584766522.db2.gz OWEMMNFNNWDYCU-CRWXNKLISA-N 3 1 239.407 1.563 20 0 BDADMP C[C@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000903443658 584768892 /nfs/dbraw/zinc/76/88/92/584768892.db2.gz GVIKJUQCPQAIRC-XQQFMLRXSA-N 2 1 225.380 1.153 20 0 BDADMP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCNCC1 ZINC000903446181 584769894 /nfs/dbraw/zinc/76/98/94/584769894.db2.gz UQILNYRZFQUOMJ-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCNCC1 ZINC000903446181 584769895 /nfs/dbraw/zinc/76/98/95/584769895.db2.gz UQILNYRZFQUOMJ-OLZOCXBDSA-N 2 1 239.407 1.578 20 0 BDADMP CCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000903446181 584769893 /nfs/dbraw/zinc/76/98/93/584769893.db2.gz UQILNYRZFQUOMJ-OLZOCXBDSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903445981 584770105 /nfs/dbraw/zinc/77/01/05/584770105.db2.gz QDHILHFFOYIXGR-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H](c1ncccn1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447119 584770771 /nfs/dbraw/zinc/77/07/71/584770771.db2.gz FTSVTNDBOPPJSO-LBPRGKRZSA-N 2 1 246.358 1.613 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000903450458 584772345 /nfs/dbraw/zinc/77/23/45/584772345.db2.gz WIKXCGXXXUFBCJ-FVCCEPFGSA-N 3 1 225.380 1.173 20 0 BDADMP OC[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903453931 584772817 /nfs/dbraw/zinc/77/28/17/584772817.db2.gz PSIGTKKJJFQDGE-AWEZNQCLSA-N 2 1 246.354 1.289 20 0 BDADMP [NH3+]CCCCCCCN[C@H]1CC[NH2+]C12CCC2 ZINC000903472183 584776410 /nfs/dbraw/zinc/77/64/10/584776410.db2.gz XMPJGKXNQIXRCL-ZDUSSCGKSA-N 2 1 239.407 1.770 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)C1 ZINC000903475762 584776590 /nfs/dbraw/zinc/77/65/90/584776590.db2.gz CIGKQYODIXJFSE-QNWHQSFQSA-N 2 1 240.416 1.799 20 0 BDADMP Cn1nccc1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481896 584778219 /nfs/dbraw/zinc/77/82/19/584778219.db2.gz PQGYBUPOLKLMDT-CYBMUJFWSA-N 2 1 248.374 1.227 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1CC[NH3+] ZINC000903499331 584780005 /nfs/dbraw/zinc/78/00/05/584780005.db2.gz RGMYHWLZVJEYLH-YIYPIFLZSA-N 2 1 238.375 1.330 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1[NH3+] ZINC000903560054 584782479 /nfs/dbraw/zinc/78/24/79/584782479.db2.gz RPIVAAUSYNNDOC-LOWVWBTDSA-N 2 1 224.348 1.082 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1[NH3+] ZINC000903560054 584782481 /nfs/dbraw/zinc/78/24/81/584782481.db2.gz RPIVAAUSYNNDOC-LOWVWBTDSA-N 2 1 224.348 1.082 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903558070 584782990 /nfs/dbraw/zinc/78/29/90/584782990.db2.gz UAWTXRCLDXCAAT-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000903558070 584782991 /nfs/dbraw/zinc/78/29/91/584782991.db2.gz UAWTXRCLDXCAAT-LLVKDONJSA-N 2 1 242.363 1.389 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903717952 584792528 /nfs/dbraw/zinc/79/25/28/584792528.db2.gz GKDUGBOBMJOXBM-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729001 584792952 /nfs/dbraw/zinc/79/29/52/584792952.db2.gz JCQOLCQXGZGEJH-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729256 584793254 /nfs/dbraw/zinc/79/32/54/584793254.db2.gz LKKPECOGYCNSCE-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715875 584794228 /nfs/dbraw/zinc/79/42/28/584794228.db2.gz BBDQNLABSKWBAP-MJBXVCDLSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715875 584794229 /nfs/dbraw/zinc/79/42/29/584794229.db2.gz BBDQNLABSKWBAP-MJBXVCDLSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)[C@@H](C)C[N@H+]1C ZINC000903752434 584795316 /nfs/dbraw/zinc/79/53/16/584795316.db2.gz NVSLYWLYIMTIPO-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903744482 584796597 /nfs/dbraw/zinc/79/65/97/584796597.db2.gz TYJQUUQOMGZWGY-AVGNSLFASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903744482 584796599 /nfs/dbraw/zinc/79/65/99/584796599.db2.gz TYJQUUQOMGZWGY-AVGNSLFASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903744486 584796710 /nfs/dbraw/zinc/79/67/10/584796710.db2.gz TYJQUUQOMGZWGY-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903744486 584796712 /nfs/dbraw/zinc/79/67/12/584796712.db2.gz TYJQUUQOMGZWGY-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903784721 584800246 /nfs/dbraw/zinc/80/02/46/584800246.db2.gz QOBGCRWBTITSFO-MGPQQGTHSA-N 3 1 239.407 1.293 20 0 BDADMP Cc1cc(C)nc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000903783239 584800300 /nfs/dbraw/zinc/80/03/00/584800300.db2.gz WRPIHDNAKRRFDC-QWHCGFSZSA-N 2 1 233.359 1.914 20 0 BDADMP C[N@@H+](CCCF)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783825 584800379 /nfs/dbraw/zinc/80/03/79/584800379.db2.gz DZQQALHCGZOBTO-GFCCVEGCSA-N 2 1 244.354 1.437 20 0 BDADMP CC[C@H](C)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815671 584800665 /nfs/dbraw/zinc/80/06/65/584800665.db2.gz ONAZAEIVYLCDAR-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CCOCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903796004 584800908 /nfs/dbraw/zinc/80/09/08/584800908.db2.gz QUGCTBPSLMRKPJ-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903796004 584800909 /nfs/dbraw/zinc/80/09/09/584800909.db2.gz QUGCTBPSLMRKPJ-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP CCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903812932 584803284 /nfs/dbraw/zinc/80/32/84/584803284.db2.gz BIJHLDDVDFAJTJ-UHFFFAOYSA-N 2 1 212.337 1.241 20 0 BDADMP C[C@@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810329 584803588 /nfs/dbraw/zinc/80/35/88/584803588.db2.gz BAJHZAIDODHXOU-VXGBXAGGSA-N 2 1 226.364 1.351 20 0 BDADMP C[C@]12C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825707 584804460 /nfs/dbraw/zinc/80/44/60/584804460.db2.gz CUIKJJPYVSEFSO-QKGCVVFFSA-N 2 1 234.387 1.964 20 0 BDADMP C[NH2+]CCC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000903825603 584804638 /nfs/dbraw/zinc/80/46/38/584804638.db2.gz ARFOAYRFLVPDON-RQJABVFESA-N 2 1 222.376 1.964 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903831666 584805967 /nfs/dbraw/zinc/80/59/67/584805967.db2.gz MCMAOULHDKYATA-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[C@]13CCOC3)C2 ZINC000903838265 584806455 /nfs/dbraw/zinc/80/64/55/584806455.db2.gz AWPCUMPWGGZNDB-HPCHECBXSA-N 2 1 236.359 1.225 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903838776 584806624 /nfs/dbraw/zinc/80/66/24/584806624.db2.gz FAXJJCGWFBCCPM-FQUUOJAGSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903838776 584806625 /nfs/dbraw/zinc/80/66/25/584806625.db2.gz FAXJJCGWFBCCPM-FQUUOJAGSA-N 2 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903838778 584807372 /nfs/dbraw/zinc/80/73/72/584807372.db2.gz FAXJJCGWFBCCPM-RQJABVFESA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903838778 584807373 /nfs/dbraw/zinc/80/73/73/584807373.db2.gz FAXJJCGWFBCCPM-RQJABVFESA-N 2 1 237.391 1.188 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@@H+]2Cc1cccc(N)c1 ZINC000903856057 584808558 /nfs/dbraw/zinc/80/85/58/584808558.db2.gz PMSSJUBCQFMLAI-GXTWGEPZSA-N 2 1 231.343 1.582 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2Cc1cccc(N)c1 ZINC000903856057 584808559 /nfs/dbraw/zinc/80/85/59/584808559.db2.gz PMSSJUBCQFMLAI-GXTWGEPZSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903856057 584808560 /nfs/dbraw/zinc/80/85/60/584808560.db2.gz PMSSJUBCQFMLAI-GXTWGEPZSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903856057 584808561 /nfs/dbraw/zinc/80/85/61/584808561.db2.gz PMSSJUBCQFMLAI-GXTWGEPZSA-N 2 1 231.343 1.582 20 0 BDADMP COCCCCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903854465 584809298 /nfs/dbraw/zinc/80/92/98/584809298.db2.gz JGMCJHAQCLKYDG-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903854465 584809300 /nfs/dbraw/zinc/80/93/00/584809300.db2.gz JGMCJHAQCLKYDG-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CC[C@]32CN)O1 ZINC000903856629 584809478 /nfs/dbraw/zinc/80/94/78/584809478.db2.gz AQLPANJEPSGGJT-XQHKEYJVSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CC[C@]32CN)O1 ZINC000903856629 584809479 /nfs/dbraw/zinc/80/94/79/584809479.db2.gz AQLPANJEPSGGJT-XQHKEYJVSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])O1 ZINC000903856629 584809480 /nfs/dbraw/zinc/80/94/80/584809480.db2.gz AQLPANJEPSGGJT-XQHKEYJVSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])O1 ZINC000903856629 584809481 /nfs/dbraw/zinc/80/94/81/584809481.db2.gz AQLPANJEPSGGJT-XQHKEYJVSA-N 2 1 224.348 1.367 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1C[C@]12CCOC2 ZINC000903859218 584810988 /nfs/dbraw/zinc/81/09/88/584810988.db2.gz LOUHLWAWIXDPBH-ZOBORPQBSA-N 2 1 236.359 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1C[C@]12CCOC2 ZINC000903859218 584810989 /nfs/dbraw/zinc/81/09/89/584810989.db2.gz LOUHLWAWIXDPBH-ZOBORPQBSA-N 2 1 236.359 1.226 20 0 BDADMP Cc1[nH+]ccn1CCCN1CCC[C@]12CC[NH2+]C2 ZINC000903865241 584812910 /nfs/dbraw/zinc/81/29/10/584812910.db2.gz BMFGAFMELFVCSC-CQSZACIVSA-N 2 1 248.374 1.410 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1CC1 ZINC000903870682 584814308 /nfs/dbraw/zinc/81/43/08/584814308.db2.gz PGTLPYJAQDNQPE-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CC1 ZINC000903870682 584814309 /nfs/dbraw/zinc/81/43/09/584814309.db2.gz PGTLPYJAQDNQPE-UONOGXRCSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903870336 584814486 /nfs/dbraw/zinc/81/44/86/584814486.db2.gz NDSMPPQTPBJQTF-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903870336 584814488 /nfs/dbraw/zinc/81/44/88/584814488.db2.gz NDSMPPQTPBJQTF-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP COC[C@@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C(C)C ZINC000903869271 584814623 /nfs/dbraw/zinc/81/46/23/584814623.db2.gz FTKWEVVAULZXBN-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP COC(=O)CCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871396 584815596 /nfs/dbraw/zinc/81/55/96/584815596.db2.gz UAEXBVIRJCMWQW-ZDUSSCGKSA-N 2 1 240.347 1.158 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871396 584815597 /nfs/dbraw/zinc/81/55/97/584815597.db2.gz UAEXBVIRJCMWQW-ZDUSSCGKSA-N 2 1 240.347 1.158 20 0 BDADMP C[C@H]1NCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000903873944 584815877 /nfs/dbraw/zinc/81/58/77/584815877.db2.gz OOMCYSUWHZMISF-DUJLVANISA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1[NH2+]CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000903873944 584815878 /nfs/dbraw/zinc/81/58/78/584815878.db2.gz OOMCYSUWHZMISF-DUJLVANISA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000903873749 584816210 /nfs/dbraw/zinc/81/62/10/584816210.db2.gz MDMGLMMFRIVLEY-JWURUJNWSA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)[N@@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903877342 584816766 /nfs/dbraw/zinc/81/67/66/584816766.db2.gz MKCZRBWFBURBRH-UHFFFAOYSA-N 2 1 248.370 1.535 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000903882618 584818549 /nfs/dbraw/zinc/81/85/49/584818549.db2.gz QJKFHDGBOFRIGE-DYEKYZERSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885913 584819083 /nfs/dbraw/zinc/81/90/83/584819083.db2.gz LYMOUANEEFEYDR-NEPJUHHUSA-N 2 1 249.362 1.044 20 0 BDADMP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000903894702 584819637 /nfs/dbraw/zinc/81/96/37/584819637.db2.gz CALPLVDZTGVTPX-GFCCVEGCSA-N 2 1 249.362 1.187 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903897965 584819988 /nfs/dbraw/zinc/81/99/88/584819988.db2.gz KTOIHFDSWJFSSV-MNOVXSKESA-N 2 1 249.349 1.243 20 0 BDADMP CC[C@@](C)(CCO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903902096 584820539 /nfs/dbraw/zinc/82/05/39/584820539.db2.gz CWEIZYAHDCPICJ-SCZZXKLOSA-N 2 1 224.295 1.110 20 0 BDADMP CC[N@@H+](CCCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903910001 584821491 /nfs/dbraw/zinc/82/14/91/584821491.db2.gz ZLDKYQXCLTVLIN-YHWZYXNKSA-N 2 1 226.364 1.221 20 0 BDADMP CC1(C)C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903914035 584822781 /nfs/dbraw/zinc/82/27/81/584822781.db2.gz SUIVWGSDTBKEHE-WVMKXHBISA-N 2 1 238.375 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931995 584825182 /nfs/dbraw/zinc/82/51/82/584825182.db2.gz KXAUTRANNGGSIF-IUKMKKQMSA-N 2 1 237.391 1.329 20 0 BDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)N ZINC000903933245 584825221 /nfs/dbraw/zinc/82/52/21/584825221.db2.gz NACSIAPIGUUCCB-YOGCLGLASA-N 3 1 225.380 1.186 20 0 BDADMP CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)[NH3+] ZINC000903933245 584825222 /nfs/dbraw/zinc/82/52/22/584825222.db2.gz NACSIAPIGUUCCB-YOGCLGLASA-N 2 1 225.380 1.186 20 0 BDADMP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@@H]1F)CC(F)F ZINC000903934252 584825678 /nfs/dbraw/zinc/82/56/78/584825678.db2.gz FMIDGDLWBPFEPB-XHNCKOQMSA-N 2 1 224.270 1.839 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903938012 584826336 /nfs/dbraw/zinc/82/63/36/584826336.db2.gz XKPZVCDIFPLJSY-SCXOTVEISA-N 3 1 249.402 1.058 20 0 BDADMP NC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918037 584826777 /nfs/dbraw/zinc/82/67/77/584826777.db2.gz QRNLOBRBSKBHME-OAHLLOKOSA-N 2 1 245.370 1.159 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000903918037 584826778 /nfs/dbraw/zinc/82/67/78/584826778.db2.gz QRNLOBRBSKBHME-OAHLLOKOSA-N 3 1 245.370 1.159 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959907 584827568 /nfs/dbraw/zinc/82/75/68/584827568.db2.gz RPMCFGJTLHBBJR-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903954039 584831579 /nfs/dbraw/zinc/83/15/79/584831579.db2.gz OICQEDRPXKGRFP-WDEREUQCSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c2)C[C@H]1CC[NH3+] ZINC000903978514 584832911 /nfs/dbraw/zinc/83/29/11/584832911.db2.gz OSPQTDVQYZDBAZ-DGCLKSJQSA-N 2 1 221.348 1.442 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](N)C(C)(C)C2)CC[NH2+]1 ZINC000903987034 584835380 /nfs/dbraw/zinc/83/53/80/584835380.db2.gz XBBQLRXBOXQKLX-IJLUTSLNSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]1 ZINC000903987034 584835381 /nfs/dbraw/zinc/83/53/81/584835381.db2.gz XBBQLRXBOXQKLX-IJLUTSLNSA-N 2 1 225.380 1.044 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCO)C2CCCCC2)C1 ZINC000904301982 584862091 /nfs/dbraw/zinc/86/20/91/584862091.db2.gz QWAUTHKAIVYAQN-TXEJJXNPSA-N 2 1 226.364 1.351 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904310018 584862990 /nfs/dbraw/zinc/86/29/90/584862990.db2.gz UVZBZHNELGPPLF-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322568 584864605 /nfs/dbraw/zinc/86/46/05/584864605.db2.gz DEKZSFLLCSPWAS-FQUUOJAGSA-N 3 1 239.407 1.386 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322568 584864606 /nfs/dbraw/zinc/86/46/06/584864606.db2.gz DEKZSFLLCSPWAS-FQUUOJAGSA-N 3 1 239.407 1.386 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322568 584864607 /nfs/dbraw/zinc/86/46/07/584864607.db2.gz DEKZSFLLCSPWAS-FQUUOJAGSA-N 3 1 239.407 1.386 20 0 BDADMP CCN1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322568 584864608 /nfs/dbraw/zinc/86/46/08/584864608.db2.gz DEKZSFLLCSPWAS-FQUUOJAGSA-N 2 1 239.407 1.386 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322568 584864609 /nfs/dbraw/zinc/86/46/09/584864609.db2.gz DEKZSFLLCSPWAS-FQUUOJAGSA-N 2 1 239.407 1.386 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccccc3[C@@H]2CO)C1 ZINC000904322302 584864841 /nfs/dbraw/zinc/86/48/41/584864841.db2.gz VXGJNXBLERISIA-LNSITVRQSA-N 2 1 246.354 1.315 20 0 BDADMP C[N@@H+](CC1(CO)CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904338816 584864865 /nfs/dbraw/zinc/86/48/65/584864865.db2.gz VEENIBCGMQMEBP-LBPRGKRZSA-N 2 1 226.364 1.080 20 0 BDADMP CCOC(=O)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000904342409 584867122 /nfs/dbraw/zinc/86/71/22/584867122.db2.gz GUMJNBAPCFHKIY-PHIMTYICSA-N 2 1 240.347 1.141 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+](CCO)C1CCC1 ZINC000904345765 584868133 /nfs/dbraw/zinc/86/81/33/584868133.db2.gz MYHBVZMMZCOCQL-LBPRGKRZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+](CCO)C1CCC1 ZINC000904345765 584868134 /nfs/dbraw/zinc/86/81/34/584868134.db2.gz MYHBVZMMZCOCQL-LBPRGKRZSA-N 2 1 242.407 1.987 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000904351011 584869601 /nfs/dbraw/zinc/86/96/01/584869601.db2.gz UAJORCTWLQDFQW-OAHLLOKOSA-N 3 1 245.370 1.331 20 0 BDADMP [NH3+]Cc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000904351011 584869602 /nfs/dbraw/zinc/86/96/02/584869602.db2.gz UAJORCTWLQDFQW-OAHLLOKOSA-N 2 1 245.370 1.331 20 0 BDADMP C[N@H+]1CCN(C[C@H]2C[C@@H]([NH3+])C2)c2ccccc2C1 ZINC000904369047 584872651 /nfs/dbraw/zinc/87/26/51/584872651.db2.gz QNKMETKUNVSVPH-XBXGTLAGSA-N 2 1 245.370 1.676 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000904372217 584873350 /nfs/dbraw/zinc/87/33/50/584873350.db2.gz ZSSIOLDTMIPQMQ-DOMZBBRYSA-N 3 1 247.386 1.562 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](c3cccnc3)C2)C1 ZINC000904373374 584873886 /nfs/dbraw/zinc/87/38/86/584873886.db2.gz DBCUUVZTJPIXBE-BNOWGMLFSA-N 2 1 231.343 1.608 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904376506 584876154 /nfs/dbraw/zinc/87/61/54/584876154.db2.gz UVNDMPQARZSZDY-SMDDNHRTSA-N 3 1 233.359 1.457 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(C[NH3+])cc1 ZINC000904376506 584876155 /nfs/dbraw/zinc/87/61/55/584876155.db2.gz UVNDMPQARZSZDY-SMDDNHRTSA-N 2 1 233.359 1.457 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000904406707 584878676 /nfs/dbraw/zinc/87/86/76/584878676.db2.gz UVQAVZKYCACSIF-BFHYXJOUSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410599 584879021 /nfs/dbraw/zinc/87/90/21/584879021.db2.gz PNOLQIMAPLSHCG-YNEHKIRRSA-N 3 1 227.396 1.134 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H](CC[NH3+])C2)CCC[NH2+]C1 ZINC000904407288 584879168 /nfs/dbraw/zinc/87/91/68/584879168.db2.gz SKUZCIDWLMVHEF-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@@H]1C[NH3+] ZINC000904410924 584879200 /nfs/dbraw/zinc/87/92/00/584879200.db2.gz RSKDDXOKMPUQJV-IJLUTSLNSA-N 2 1 228.405 1.656 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC[NH2+]1 ZINC000904410234 584879350 /nfs/dbraw/zinc/87/93/50/584879350.db2.gz MUUJLJBOKGZTPL-REWJHTLYSA-N 3 1 239.407 1.291 20 0 BDADMP CCn1ccnc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412672 584879497 /nfs/dbraw/zinc/87/94/97/584879497.db2.gz WBSWLOUWKMDOSK-NEPJUHHUSA-N 2 1 236.363 1.320 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411319 584879755 /nfs/dbraw/zinc/87/97/55/584879755.db2.gz UMHHBDUGLWBDON-UTUOFQBUSA-N 2 1 214.353 1.186 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000904412929 584879843 /nfs/dbraw/zinc/87/98/43/584879843.db2.gz ZKDVZUGUQGZCPL-PWSUYJOCSA-N 2 1 249.358 1.512 20 0 BDADMP C[C@H]1C[N@@H+](CC2=CCCOC2)CC[C@@H]1C[NH3+] ZINC000904411265 584879924 /nfs/dbraw/zinc/87/99/24/584879924.db2.gz SZVDQIVDSLEWKE-WCQYABFASA-N 2 1 224.348 1.250 20 0 BDADMP CC[C@H]1C[C@H](C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000904415551 584880374 /nfs/dbraw/zinc/88/03/74/584880374.db2.gz RESPPVNJCSEIKK-FVCCEPFGSA-N 2 1 226.364 1.471 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420175 584881969 /nfs/dbraw/zinc/88/19/69/584881969.db2.gz FONRKCDTUKBYJQ-OLMTUDMXSA-N 3 1 249.402 1.058 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCCCCO ZINC000842475405 584897904 /nfs/dbraw/zinc/89/79/04/584897904.db2.gz POGWRJZDCJEQBM-NSHDSACASA-N 2 1 216.369 1.502 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144945 584972993 /nfs/dbraw/zinc/97/29/93/584972993.db2.gz SMEFJXKFHXDXSE-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815144945 584972994 /nfs/dbraw/zinc/97/29/94/584972994.db2.gz SMEFJXKFHXDXSE-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP CC[C@@H](NCC[N@H+]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914157 584991228 /nfs/dbraw/zinc/99/12/28/584991228.db2.gz UKRBKMCJWHDPAS-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CCF)C[C@@H]1C ZINC000759342293 585369021 /nfs/dbraw/zinc/36/90/21/585369021.db2.gz GUVJSPAATOGQIX-QWRGUYRKSA-N 2 1 202.317 1.761 20 0 BDADMP C[NH+](C)CC1CC[NH+](CCN2CCCC2)CC1 ZINC000760819501 585398045 /nfs/dbraw/zinc/39/80/45/585398045.db2.gz SATJYLBEDOZCOX-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CN(CC[NH+]1CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000760842730 585399436 /nfs/dbraw/zinc/39/94/36/585399436.db2.gz ACSCSYOCLUUVSG-CQSZACIVSA-N 2 1 239.407 1.356 20 0 BDADMP C[C@H]1C[C@@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000770460187 585574277 /nfs/dbraw/zinc/57/42/77/585574277.db2.gz DADVOKGFGBNZNO-QWRGUYRKSA-N 2 1 249.362 1.437 20 0 BDADMP C[C@H]1C[C@@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@H+]1C ZINC000770460187 585574278 /nfs/dbraw/zinc/57/42/78/585574278.db2.gz DADVOKGFGBNZNO-QWRGUYRKSA-N 2 1 249.362 1.437 20 0 BDADMP C[C@@H]1C[C@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000770460185 585574480 /nfs/dbraw/zinc/57/44/80/585574480.db2.gz DADVOKGFGBNZNO-GHMZBOCLSA-N 2 1 249.362 1.437 20 0 BDADMP C[C@@H]1C[C@H](Nc2nc(N(C)C)cc[nH+]2)CC[N@H+]1C ZINC000770460185 585574481 /nfs/dbraw/zinc/57/44/81/585574481.db2.gz DADVOKGFGBNZNO-GHMZBOCLSA-N 2 1 249.362 1.437 20 0 BDADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+]1CCCC1 ZINC000771458170 585594816 /nfs/dbraw/zinc/59/48/16/585594816.db2.gz CZBPWWOVAGVOTF-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCO ZINC000779341540 585751686 /nfs/dbraw/zinc/75/16/86/585751686.db2.gz NULNTXFFBGHIOB-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCO ZINC000779341540 585751687 /nfs/dbraw/zinc/75/16/87/585751687.db2.gz NULNTXFFBGHIOB-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H](CCO)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000779341163 585751956 /nfs/dbraw/zinc/75/19/56/585751956.db2.gz MLAJPKWETLIMAZ-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H](CCO)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000779341163 585751957 /nfs/dbraw/zinc/75/19/57/585751957.db2.gz MLAJPKWETLIMAZ-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCO)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000779343365 585752105 /nfs/dbraw/zinc/75/21/05/585752105.db2.gz XGYDQHYVDNQNKY-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779393283 585753018 /nfs/dbraw/zinc/75/30/18/585753018.db2.gz RCYUWICCVGJMTL-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779411698 585753923 /nfs/dbraw/zinc/75/39/23/585753923.db2.gz GPKLMHJNPRJDIE-KBPBESRZSA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC(OC)OC)C[C@@H]1C ZINC000781898109 585804778 /nfs/dbraw/zinc/80/47/78/585804778.db2.gz GUEHDHFKBHOTDQ-NWDGAFQWSA-N 2 1 244.379 1.410 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(OC)OC)C[C@@H]1C ZINC000781898109 585804779 /nfs/dbraw/zinc/80/47/79/585804779.db2.gz GUEHDHFKBHOTDQ-NWDGAFQWSA-N 2 1 244.379 1.410 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(OC)OC)C[C@@H]1C ZINC000781898109 585804780 /nfs/dbraw/zinc/80/47/80/585804780.db2.gz GUEHDHFKBHOTDQ-NWDGAFQWSA-N 2 1 244.379 1.410 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(OC)OC)C[C@@H]1C ZINC000781898109 585804781 /nfs/dbraw/zinc/80/47/81/585804781.db2.gz GUEHDHFKBHOTDQ-NWDGAFQWSA-N 2 1 244.379 1.410 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000790756468 585968121 /nfs/dbraw/zinc/96/81/21/585968121.db2.gz QAVZZEGYXOVYJC-ZYHUDNBSSA-N 2 1 240.347 1.012 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)n(C)n1 ZINC000793549489 586022713 /nfs/dbraw/zinc/02/27/13/586022713.db2.gz XMBWCYXNNYVZMD-LBPRGKRZSA-N 2 1 248.374 1.641 20 0 BDADMP CCC(CC)[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000808782298 586489641 /nfs/dbraw/zinc/48/96/41/586489641.db2.gz NKWREZGYIKXJIT-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CCC(CC)[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000808782298 586489642 /nfs/dbraw/zinc/48/96/42/586489642.db2.gz NKWREZGYIKXJIT-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP CSC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817897904 586834882 /nfs/dbraw/zinc/83/48/82/586834882.db2.gz APFOJIYTDNICAK-UWVGGRQHSA-N 2 1 216.394 1.716 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912345 586837826 /nfs/dbraw/zinc/83/78/26/586837826.db2.gz GJFOLGAYJMAQTG-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817911443 586838616 /nfs/dbraw/zinc/83/86/16/586838616.db2.gz AMHFYNNTPZYVRA-QEJZJMRPSA-N 2 1 248.370 1.624 20 0 BDADMP Cc1ncc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000817915556 586839153 /nfs/dbraw/zinc/83/91/53/586839153.db2.gz OBWFBQVISFBTAO-SKDRFNHKSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])N1CCCCC1 ZINC000817914680 586839445 /nfs/dbraw/zinc/83/94/45/586839445.db2.gz XZHMNPLVIGGMNQ-FRRDWIJNSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000817913291 586839471 /nfs/dbraw/zinc/83/94/71/586839471.db2.gz NHBALKMMAQCTAH-NHCYSSNCSA-N 2 1 240.372 1.425 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000817913653 586839825 /nfs/dbraw/zinc/83/98/25/586839825.db2.gz PNMXYOWBRRLMLB-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817913653 586839827 /nfs/dbraw/zinc/83/98/27/586839827.db2.gz PNMXYOWBRRLMLB-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000817933174 586843639 /nfs/dbraw/zinc/84/36/39/586843639.db2.gz ZASUEEXGKZYIRX-RBSFLKMASA-N 2 1 248.370 1.806 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817941325 586845530 /nfs/dbraw/zinc/84/55/30/586845530.db2.gz SLXUZSZGGXFNER-SECBINFHSA-N 2 1 227.739 1.995 20 0 BDADMP C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820803412 587072778 /nfs/dbraw/zinc/07/27/78/587072778.db2.gz SSRQAYXQLQGSOR-FZMOHWGLSA-N 2 1 224.348 1.115 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000834821893 587767758 /nfs/dbraw/zinc/76/77/58/587767758.db2.gz UQFGRHXDDYPCMF-NEPJUHHUSA-N 2 1 243.395 1.350 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]([NH3+])CC ZINC000834826239 587767915 /nfs/dbraw/zinc/76/79/15/587767915.db2.gz KWFBJQVIXOOQPQ-GFCCVEGCSA-N 2 1 243.395 1.352 20 0 BDADMP C[C@H](CCO)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834910680 587770297 /nfs/dbraw/zinc/77/02/97/587770297.db2.gz WDSPMEBMJKFFDZ-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](C(F)F)C2)CC[NH2+]1 ZINC000841021717 587935396 /nfs/dbraw/zinc/93/53/96/587935396.db2.gz FFOZRNXJMBERIT-VWYCJHECSA-N 2 1 248.317 1.340 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000842474195 588029190 /nfs/dbraw/zinc/02/91/90/588029190.db2.gz JIJJPOCIKMSZFI-OKILXGFUSA-N 2 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCCCCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842474195 588029191 /nfs/dbraw/zinc/02/91/91/588029191.db2.gz JIJJPOCIKMSZFI-OKILXGFUSA-N 2 1 239.407 1.722 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000842478547 588029740 /nfs/dbraw/zinc/02/97/40/588029740.db2.gz KQBOTJMBYJYMGJ-UONOGXRCSA-N 3 1 241.423 1.812 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843048458 588076381 /nfs/dbraw/zinc/07/63/81/588076381.db2.gz XMHHYRUYJZTTQI-GFCCVEGCSA-N 2 1 232.327 1.497 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000843047223 588076497 /nfs/dbraw/zinc/07/64/97/588076497.db2.gz KYJMCWBBEQTSEC-GFCCVEGCSA-N 2 1 244.342 1.505 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000843047223 588076499 /nfs/dbraw/zinc/07/64/99/588076499.db2.gz KYJMCWBBEQTSEC-GFCCVEGCSA-N 2 1 244.342 1.505 20 0 BDADMP CCCN1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843126503 588084288 /nfs/dbraw/zinc/08/42/88/588084288.db2.gz HKGHLLGANQHDMY-UHFFFAOYSA-N 2 1 241.423 1.970 20 0 BDADMP CCCCOC(=O)CC[NH+]1CCC([NH3+])CC1 ZINC000843345176 588101822 /nfs/dbraw/zinc/10/18/22/588101822.db2.gz YCWBKOWEFHITKJ-UHFFFAOYSA-N 2 1 228.336 1.143 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCc1ccccc1F ZINC000843358834 588103565 /nfs/dbraw/zinc/10/35/65/588103565.db2.gz UDDPBVYWZGVVBX-UHFFFAOYSA-N 2 1 240.322 1.275 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843382445 588105439 /nfs/dbraw/zinc/10/54/39/588105439.db2.gz QCHLXYANZSISFY-ZDUSSCGKSA-N 2 1 242.363 1.391 20 0 BDADMP CCCCOC(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000843386937 588105909 /nfs/dbraw/zinc/10/59/09/588105909.db2.gz CZZIIXZWJZJBTP-UHFFFAOYSA-N 2 1 228.336 1.141 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846217707 588260277 /nfs/dbraw/zinc/26/02/77/588260277.db2.gz MMLLYFWTFRKPJX-VXGBXAGGSA-N 3 1 213.369 1.175 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCCCC[NH3+] ZINC000846217199 588260515 /nfs/dbraw/zinc/26/05/15/588260515.db2.gz CMQWKYOHHVWUSY-CYBMUJFWSA-N 3 1 229.412 1.811 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000846217176 588260567 /nfs/dbraw/zinc/26/05/67/588260567.db2.gz CAMGDFZQSQNDID-IUODEOHRSA-N 2 1 248.370 1.576 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846216098 588260615 /nfs/dbraw/zinc/26/06/15/588260615.db2.gz PKLFURDOLLNKRR-STQMWFEESA-N 3 1 227.396 1.707 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1CCCCCC[NH3+] ZINC000846216098 588260616 /nfs/dbraw/zinc/26/06/16/588260616.db2.gz PKLFURDOLLNKRR-STQMWFEESA-N 3 1 227.396 1.707 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000846217925 588260622 /nfs/dbraw/zinc/26/06/22/588260622.db2.gz IYATZDZJASTGRZ-OAHLLOKOSA-N 2 1 248.370 1.324 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2c(C)cccc2C1 ZINC000846217925 588260623 /nfs/dbraw/zinc/26/06/23/588260623.db2.gz IYATZDZJASTGRZ-OAHLLOKOSA-N 2 1 248.370 1.324 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000846219536 588260804 /nfs/dbraw/zinc/26/08/04/588260804.db2.gz CELJMYPMAWNBSH-ZDUSSCGKSA-N 3 1 227.396 1.566 20 0 BDADMP C[C@@H]1NCC[N@@H+](CCCCCC[NH3+])[C@H]1C ZINC000846220453 588261349 /nfs/dbraw/zinc/26/13/49/588261349.db2.gz PYIVQZVEUCTEKP-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1[NH2+]CCN(CCCCCC[NH3+])[C@H]1C ZINC000846220453 588261350 /nfs/dbraw/zinc/26/13/50/588261350.db2.gz PYIVQZVEUCTEKP-RYUDHWBXSA-N 2 1 213.369 1.188 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](O)C1 ZINC000846226216 588261745 /nfs/dbraw/zinc/26/17/45/588261745.db2.gz KLKTZAGRHSHSQD-LBPRGKRZSA-N 2 1 214.353 1.352 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000848556707 588397223 /nfs/dbraw/zinc/39/72/23/588397223.db2.gz BYNGOMIEPPAGJQ-LOWVWBTDSA-N 2 1 248.374 1.717 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000848720187 588408408 /nfs/dbraw/zinc/40/84/08/588408408.db2.gz SUDPSCWKAFRLML-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000848720187 588408410 /nfs/dbraw/zinc/40/84/10/588408410.db2.gz SUDPSCWKAFRLML-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NC1CCC1 ZINC000848987725 588426228 /nfs/dbraw/zinc/42/62/28/588426228.db2.gz VMDGULMDNCGFHG-NSHDSACASA-N 2 1 238.379 1.527 20 0 BDADMP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)c1 ZINC000848996604 588429284 /nfs/dbraw/zinc/42/92/84/588429284.db2.gz JXPVVLKVESMQMP-LLVKDONJSA-N 2 1 234.347 1.881 20 0 BDADMP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+](C)C ZINC000848996649 588429628 /nfs/dbraw/zinc/42/96/28/588429628.db2.gz MKFKFCOKFFWKKJ-GFCCVEGCSA-N 2 1 248.374 1.293 20 0 BDADMP CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000848998721 588430157 /nfs/dbraw/zinc/43/01/57/588430157.db2.gz MSHJQGOHKYPRKV-NSHDSACASA-N 2 1 226.368 1.241 20 0 BDADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])Nc2ccccn2)C1 ZINC000849004583 588431471 /nfs/dbraw/zinc/43/14/71/588431471.db2.gz PVRPKPHYFXXDLA-NSHDSACASA-N 2 1 247.346 1.360 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@H+]1CC ZINC000849005992 588432585 /nfs/dbraw/zinc/43/25/85/588432585.db2.gz JLJQHRHXPLZBGF-NWDGAFQWSA-N 2 1 240.395 1.773 20 0 BDADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N(C)C ZINC000849009595 588434373 /nfs/dbraw/zinc/43/43/73/588434373.db2.gz CKYQAJLGUODIBA-UHFFFAOYSA-N 2 1 223.324 1.058 20 0 BDADMP Cc1cc(C)cc(NC(=[NH2+])NCC[NH+]2CCC2)c1 ZINC000849014696 588436429 /nfs/dbraw/zinc/43/64/29/588436429.db2.gz RWBHGNLAPCYFON-UHFFFAOYSA-N 2 1 246.358 1.945 20 0 BDADMP CCCCNC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000849020369 588438666 /nfs/dbraw/zinc/43/86/66/588438666.db2.gz AGUYQZBNPNYVRA-JTQLQIEISA-N 2 1 235.335 1.112 20 0 BDADMP CCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000849023219 588439670 /nfs/dbraw/zinc/43/96/70/588439670.db2.gz ZCLXUNRJTFKLIZ-NSHDSACASA-N 2 1 224.352 1.137 20 0 BDADMP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000849043167 588448672 /nfs/dbraw/zinc/44/86/72/588448672.db2.gz FVXXRTASAZMETA-UHFFFAOYSA-N 2 1 233.319 1.112 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849046213 588449963 /nfs/dbraw/zinc/44/99/63/588449963.db2.gz AFYOJWQIEROQIB-LBPRGKRZSA-N 2 1 242.411 1.877 20 0 BDADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCCCC1 ZINC000849133239 588453215 /nfs/dbraw/zinc/45/32/15/588453215.db2.gz IPWBGGNOZOVCPQ-LBPRGKRZSA-N 2 1 249.362 1.189 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000851771945 588626025 /nfs/dbraw/zinc/62/60/25/588626025.db2.gz SKPKXJSDRRZANG-NWDGAFQWSA-N 2 1 242.363 1.021 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000851771945 588626026 /nfs/dbraw/zinc/62/60/26/588626026.db2.gz SKPKXJSDRRZANG-NWDGAFQWSA-N 2 1 242.363 1.021 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC(=O)O2)CC1 ZINC000851796911 588629608 /nfs/dbraw/zinc/62/96/08/588629608.db2.gz MACNTXORSUJMCQ-LBPRGKRZSA-N 2 1 240.347 1.108 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC(=O)O2)CC1 ZINC000851796911 588629609 /nfs/dbraw/zinc/62/96/09/588629609.db2.gz MACNTXORSUJMCQ-LBPRGKRZSA-N 2 1 240.347 1.108 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC(=O)O2)CC1 ZINC000851796909 588629703 /nfs/dbraw/zinc/62/97/03/588629703.db2.gz MACNTXORSUJMCQ-GFCCVEGCSA-N 2 1 240.347 1.108 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC(=O)O2)CC1 ZINC000851796909 588629704 /nfs/dbraw/zinc/62/97/04/588629704.db2.gz MACNTXORSUJMCQ-GFCCVEGCSA-N 2 1 240.347 1.108 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000110370937 588658908 /nfs/dbraw/zinc/65/89/08/588658908.db2.gz RQIGUXPABYYTNR-AWEZNQCLSA-N 2 1 239.407 1.676 20 0 BDADMP [NH3+]CCCCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000110370937 588658909 /nfs/dbraw/zinc/65/89/09/588658909.db2.gz RQIGUXPABYYTNR-AWEZNQCLSA-N 2 1 239.407 1.676 20 0 BDADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOC(F)F)C2)C1 ZINC000852092179 588661555 /nfs/dbraw/zinc/66/15/55/588661555.db2.gz QGMGZKQYFVXJCT-LBPRGKRZSA-N 2 1 248.317 1.643 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOC(F)F)C2)C1 ZINC000852092179 588661556 /nfs/dbraw/zinc/66/15/56/588661556.db2.gz QGMGZKQYFVXJCT-LBPRGKRZSA-N 2 1 248.317 1.643 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOC(F)F)C2)C1 ZINC000852092179 588661557 /nfs/dbraw/zinc/66/15/57/588661557.db2.gz QGMGZKQYFVXJCT-LBPRGKRZSA-N 2 1 248.317 1.643 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOC(F)F)C2)C1 ZINC000852092179 588661558 /nfs/dbraw/zinc/66/15/58/588661558.db2.gz QGMGZKQYFVXJCT-LBPRGKRZSA-N 2 1 248.317 1.643 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000852746429 588698204 /nfs/dbraw/zinc/69/82/04/588698204.db2.gz LBWXKZUQTGMLCV-QWRGUYRKSA-N 2 1 248.317 1.690 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000852746429 588698205 /nfs/dbraw/zinc/69/82/05/588698205.db2.gz LBWXKZUQTGMLCV-QWRGUYRKSA-N 2 1 248.317 1.690 20 0 BDADMP FC(F)OCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000852750286 588698888 /nfs/dbraw/zinc/69/88/88/588698888.db2.gz YPRMTIUUGFZXRQ-MNOVXSKESA-N 2 1 248.317 1.690 20 0 BDADMP [NH3+]C[C@H]([NH2+]CCOC(F)F)C1CCCCC1 ZINC000852749995 588699876 /nfs/dbraw/zinc/69/98/76/588699876.db2.gz KMXQKOHVRKUIBK-JTQLQIEISA-N 2 1 236.306 1.723 20 0 BDADMP C[C@H]1CC[N@@H+](CCOC(F)F)C[C@@H]1C[NH3+] ZINC000852750915 588700131 /nfs/dbraw/zinc/70/01/31/588700131.db2.gz JAZPRVRTOJIODW-IUCAKERBSA-N 2 1 222.279 1.142 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000852758924 588700479 /nfs/dbraw/zinc/70/04/79/588700479.db2.gz HKJBMLRHOZTAMP-KBPBESRZSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCOCC3)C[NH2+]1 ZINC000863548500 589298598 /nfs/dbraw/zinc/29/85/98/589298598.db2.gz YIICMUKXWPJZTG-AGIUHOORSA-N 2 1 238.375 1.676 20 0 BDADMP [NH3+]CC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863556665 589298799 /nfs/dbraw/zinc/29/87/99/589298799.db2.gz GKILKAWCUADGER-MELADBBJSA-N 2 1 216.328 1.681 20 0 BDADMP [NH3+]CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863556665 589298800 /nfs/dbraw/zinc/29/88/00/589298800.db2.gz GKILKAWCUADGER-MELADBBJSA-N 2 1 216.328 1.681 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000863642093 589305937 /nfs/dbraw/zinc/30/59/37/589305937.db2.gz PYPKAKDXAYDHAP-LLVKDONJSA-N 2 1 210.321 1.004 20 0 BDADMP C1=C(C[N@H+]2CCC3(C2)CC[NH2+]CC3)COCC1 ZINC000863641940 589306323 /nfs/dbraw/zinc/30/63/23/589306323.db2.gz NAYVTVFDKYNCJE-UHFFFAOYSA-N 2 1 236.359 1.409 20 0 BDADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864453513 589365946 /nfs/dbraw/zinc/36/59/46/589365946.db2.gz XLPFVLOKWSOCHK-GHMZBOCLSA-N 2 1 226.368 1.239 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000864456375 589366890 /nfs/dbraw/zinc/36/68/90/589366890.db2.gz HFSHVXZJDZLFBX-JTQLQIEISA-N 2 1 240.395 1.772 20 0 BDADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864458986 589368384 /nfs/dbraw/zinc/36/83/84/589368384.db2.gz XQDSRMQPFCBMCS-LBPRGKRZSA-N 2 1 238.379 1.242 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864459036 589368527 /nfs/dbraw/zinc/36/85/27/589368527.db2.gz YQKKUTWCVPOOCY-MNOVXSKESA-N 2 1 226.368 1.241 20 0 BDADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000864465673 589370973 /nfs/dbraw/zinc/37/09/73/589370973.db2.gz BLBTWITYUYJNLT-MNOVXSKESA-N 2 1 238.379 1.383 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864468187 589372268 /nfs/dbraw/zinc/37/22/68/589372268.db2.gz GOWLVNFYNZUXDC-SRVKXCTJSA-N 2 1 238.379 1.383 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000865875067 589466590 /nfs/dbraw/zinc/46/65/90/589466590.db2.gz AVVXTIRFFZPMJJ-XQQFMLRXSA-N 2 1 242.407 1.998 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc[nH+]1 ZINC000865998545 589472105 /nfs/dbraw/zinc/47/21/05/589472105.db2.gz MDIFLFIZGNDHJO-ZDUSSCGKSA-N 2 1 249.358 1.069 20 0 BDADMP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc[nH+]1 ZINC000866206662 589480147 /nfs/dbraw/zinc/48/01/47/589480147.db2.gz FHIMKCTUQNIHBA-GXTWGEPZSA-N 2 1 231.343 1.920 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660758 589508010 /nfs/dbraw/zinc/50/80/10/589508010.db2.gz KWFKEOHWLIOYBW-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000866665092 589509463 /nfs/dbraw/zinc/50/94/63/589509463.db2.gz SPAMCXRPFUWDTO-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCC1CC1)C2 ZINC000866668685 589510135 /nfs/dbraw/zinc/51/01/35/589510135.db2.gz ICXIQMNESWLGRH-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1C[NH3+] ZINC000866673171 589510646 /nfs/dbraw/zinc/51/06/46/589510646.db2.gz WZOCDNZKKNDHIU-XHDPSFHLSA-N 2 1 246.354 1.743 20 0 BDADMP C[C@H](C1CC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122936637 589644689 /nfs/dbraw/zinc/64/46/89/589644689.db2.gz MBHPGYLMMPQFSU-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP CC[C@H](C[NH+](C)C)OC(=O)Cn1c[nH+]cc1C ZINC000870548748 589673862 /nfs/dbraw/zinc/67/38/62/589673862.db2.gz QDACQWCQQZCAPK-LLVKDONJSA-N 2 1 239.319 1.075 20 0 BDADMP CCOC(C[N@@H+]1CC[C@H](C[NH+](C)C)C1)OCC ZINC000124300725 589973862 /nfs/dbraw/zinc/97/38/62/589973862.db2.gz RJPBAHQOYRCMPZ-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP CCOC(C[N@H+]1CC[C@H](C[NH+](C)C)C1)OCC ZINC000124300725 589973864 /nfs/dbraw/zinc/97/38/64/589973864.db2.gz RJPBAHQOYRCMPZ-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP C[C@H]([NH2+]CCNC(C)(C)C)C1CC[NH2+]CC1 ZINC000873220866 589999642 /nfs/dbraw/zinc/99/96/42/589999642.db2.gz VHSKYGBLYDCCTK-NSHDSACASA-N 2 1 227.396 1.352 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234144 590004098 /nfs/dbraw/zinc/00/40/98/590004098.db2.gz CSVIIDYNGVWPON-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)[C@@H](C)O1 ZINC000873237925 590005776 /nfs/dbraw/zinc/00/57/76/590005776.db2.gz VOJQWZPYZYMRRT-NDBYEHHHSA-N 2 1 240.391 1.920 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000873243464 590006570 /nfs/dbraw/zinc/00/65/70/590006570.db2.gz LLKNSWRKZQYJNR-IJLUTSLNSA-N 2 1 228.405 1.860 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000873249094 590007592 /nfs/dbraw/zinc/00/75/92/590007592.db2.gz IIROGXNOHVCPRI-NGZCFLSTSA-N 2 1 220.320 1.114 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000020205687 590084547 /nfs/dbraw/zinc/08/45/47/590084547.db2.gz OJMJQMCWGQMBJD-CMPLNLGQSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000876723168 590233614 /nfs/dbraw/zinc/23/36/14/590233614.db2.gz OPKPKMPFNRUYFU-GRYCIOLGSA-N 2 1 241.379 1.103 20 0 BDADMP CCC[NH+]1CCC([NH2+]CCC[S@](C)=O)CC1 ZINC000126614695 590376424 /nfs/dbraw/zinc/37/64/24/590376424.db2.gz ZZMIDOXYAGNVLI-MRXNPFEDSA-N 2 1 246.420 1.219 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3(C)CC3)CC[C@@H]21 ZINC000877738228 590405334 /nfs/dbraw/zinc/40/53/34/590405334.db2.gz ASHHRMGHGYPETP-RYUDHWBXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3(C)CC3)CC[C@@H]21 ZINC000877738228 590405336 /nfs/dbraw/zinc/40/53/36/590405336.db2.gz ASHHRMGHGYPETP-RYUDHWBXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(C)CC3)CC[C@@H]21 ZINC000877738228 590405338 /nfs/dbraw/zinc/40/53/38/590405338.db2.gz ASHHRMGHGYPETP-RYUDHWBXSA-N 2 1 208.349 1.813 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877740195 590407296 /nfs/dbraw/zinc/40/72/96/590407296.db2.gz IZNRYHIWUBCHTL-CHWSQXEVSA-N 2 1 240.391 1.685 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740195 590407298 /nfs/dbraw/zinc/40/72/98/590407298.db2.gz IZNRYHIWUBCHTL-CHWSQXEVSA-N 2 1 240.391 1.685 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740195 590407300 /nfs/dbraw/zinc/40/73/00/590407300.db2.gz IZNRYHIWUBCHTL-CHWSQXEVSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739245 590407345 /nfs/dbraw/zinc/40/73/45/590407345.db2.gz FTLHRMAQHDQCQG-XQHKEYJVSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739245 590407346 /nfs/dbraw/zinc/40/73/46/590407346.db2.gz FTLHRMAQHDQCQG-XQHKEYJVSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739245 590407348 /nfs/dbraw/zinc/40/73/48/590407348.db2.gz FTLHRMAQHDQCQG-XQHKEYJVSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877739245 590407350 /nfs/dbraw/zinc/40/73/50/590407350.db2.gz FTLHRMAQHDQCQG-XQHKEYJVSA-N 2 1 208.349 1.668 20 0 BDADMP CCC[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877742894 590409862 /nfs/dbraw/zinc/40/98/62/590409862.db2.gz SCKPSIMGAVWZIX-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000877742894 590409863 /nfs/dbraw/zinc/40/98/63/590409863.db2.gz SCKPSIMGAVWZIX-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000877742894 590409865 /nfs/dbraw/zinc/40/98/65/590409865.db2.gz SCKPSIMGAVWZIX-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CSC1(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000877743771 590411886 /nfs/dbraw/zinc/41/18/86/590411886.db2.gz YFZVQLQDOCXVJR-RYUDHWBXSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000877743771 590411889 /nfs/dbraw/zinc/41/18/89/590411889.db2.gz YFZVQLQDOCXVJR-RYUDHWBXSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000877743771 590411892 /nfs/dbraw/zinc/41/18/92/590411892.db2.gz YFZVQLQDOCXVJR-RYUDHWBXSA-N 2 1 240.416 1.908 20 0 BDADMP CSC1(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000877743771 590411895 /nfs/dbraw/zinc/41/18/95/590411895.db2.gz YFZVQLQDOCXVJR-RYUDHWBXSA-N 2 1 240.416 1.908 20 0 BDADMP CC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549071 590590483 /nfs/dbraw/zinc/59/04/83/590590483.db2.gz DWWVQAFLJYOIOY-UHFFFAOYSA-N 2 1 224.348 1.383 20 0 BDADMP Cn1cncc1CC[N@H+]1CCC[C@H](CO)CC1 ZINC000878656364 590603052 /nfs/dbraw/zinc/60/30/52/590603052.db2.gz MZTMQBXXGWYOAV-LBPRGKRZSA-N 2 1 237.347 1.057 20 0 BDADMP Cn1cncc1CC[N@H+]1CCC[C@@H](CO)CC1 ZINC000878656363 590603375 /nfs/dbraw/zinc/60/33/75/590603375.db2.gz MZTMQBXXGWYOAV-GFCCVEGCSA-N 2 1 237.347 1.057 20 0 BDADMP CCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879124354 590698720 /nfs/dbraw/zinc/69/87/20/590698720.db2.gz UTFFIJLBANAEJA-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(F)(F)F)CC[C@H]21 ZINC000879573018 590810837 /nfs/dbraw/zinc/81/08/37/590810837.db2.gz KWYBZPJHXKRLND-VHSXEESVSA-N 2 1 236.281 1.965 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCC(F)(F)F)CC[C@H]21 ZINC000879573018 590810840 /nfs/dbraw/zinc/81/08/40/590810840.db2.gz KWYBZPJHXKRLND-VHSXEESVSA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCC(F)(F)F)CC[C@H]21 ZINC000879573018 590810842 /nfs/dbraw/zinc/81/08/42/590810842.db2.gz KWYBZPJHXKRLND-VHSXEESVSA-N 2 1 236.281 1.965 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(F)(F)F)CC[C@H]21 ZINC000879573018 590810844 /nfs/dbraw/zinc/81/08/44/590810844.db2.gz KWYBZPJHXKRLND-VHSXEESVSA-N 2 1 236.281 1.965 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580032 590817588 /nfs/dbraw/zinc/81/75/88/590817588.db2.gz DICCNKUPFYANBT-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580032 590817589 /nfs/dbraw/zinc/81/75/89/590817589.db2.gz DICCNKUPFYANBT-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580032 590817591 /nfs/dbraw/zinc/81/75/91/590817591.db2.gz DICCNKUPFYANBT-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCO1 ZINC000879578685 590817631 /nfs/dbraw/zinc/81/76/31/590817631.db2.gz GMMFORGDTAEWGF-AAVRWANBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCO1 ZINC000879578685 590817632 /nfs/dbraw/zinc/81/76/32/590817632.db2.gz GMMFORGDTAEWGF-AAVRWANBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCO1 ZINC000879578685 590817635 /nfs/dbraw/zinc/81/76/35/590817635.db2.gz GMMFORGDTAEWGF-AAVRWANBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCO1 ZINC000879578685 590817637 /nfs/dbraw/zinc/81/76/37/590817637.db2.gz GMMFORGDTAEWGF-AAVRWANBSA-N 2 1 238.375 1.580 20 0 BDADMP CC[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258567 590978418 /nfs/dbraw/zinc/97/84/18/590978418.db2.gz IPYXCKLOTCUJME-OCCSQVGLSA-N 2 1 249.358 1.363 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258568 590979172 /nfs/dbraw/zinc/97/91/72/590979172.db2.gz IPYXCKLOTCUJME-TZMCWYRMSA-N 2 1 249.358 1.363 20 0 BDADMP Cc1[nH+]ccn1CCCCn1cc([C@@H](C)[NH3+])nn1 ZINC000881361856 591195854 /nfs/dbraw/zinc/19/58/54/591195854.db2.gz ZENFHMOLGHQWTA-SNVBAGLBSA-N 2 1 248.334 1.283 20 0 BDADMP CN(C)c1nc(NCC2(C)CC[NH2+]CC2)cc[nH+]1 ZINC000129426181 591293918 /nfs/dbraw/zinc/29/39/18/591293918.db2.gz MHXOAAOCZUZIPQ-UHFFFAOYSA-N 2 1 249.362 1.344 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883356625 591627871 /nfs/dbraw/zinc/62/78/71/591627871.db2.gz RMFAEZICWSHSMY-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000883356625 591627872 /nfs/dbraw/zinc/62/78/72/591627872.db2.gz RMFAEZICWSHSMY-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000883356625 591627873 /nfs/dbraw/zinc/62/78/73/591627873.db2.gz RMFAEZICWSHSMY-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000883442654 591669441 /nfs/dbraw/zinc/66/94/41/591669441.db2.gz PPYUCSMWJURXDX-ZJUUUORDSA-N 2 1 239.750 1.950 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000883442054 591669726 /nfs/dbraw/zinc/66/97/26/591669726.db2.gz DFZMXMXYTNGMRV-GHMZBOCLSA-N 2 1 239.750 1.950 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCc2ncncc2C1 ZINC000883462758 591674662 /nfs/dbraw/zinc/67/46/62/591674662.db2.gz ZBZVFTPIUKXUIH-UHFFFAOYSA-N 2 1 248.374 1.744 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCOC1 ZINC000134715280 591947945 /nfs/dbraw/zinc/94/79/45/591947945.db2.gz NWUQQNMUBZEKHW-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@]12CCOC2 ZINC000886829754 592349877 /nfs/dbraw/zinc/34/98/77/592349877.db2.gz GPDFOAYGMYOVIF-MJBXVCDLSA-N 2 1 240.391 1.718 20 0 BDADMP C[N@@H+](C[C@H]1C[C@]12CCOC2)C1CC[NH2+]CC1 ZINC000886827153 592351180 /nfs/dbraw/zinc/35/11/80/592351180.db2.gz FTWAHXRFYXPYRR-YPMHNXCESA-N 2 1 224.348 1.097 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@]12CCOC2)C1CCC([NH3+])CC1 ZINC000886830392 592354803 /nfs/dbraw/zinc/35/48/03/592354803.db2.gz QFBKWXLPOSZXPL-GFJIZPEISA-N 2 1 238.375 1.615 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870006 592374828 /nfs/dbraw/zinc/37/48/28/592374828.db2.gz NFGOVWMITRKCJY-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP COC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300047802 592501890 /nfs/dbraw/zinc/50/18/90/592501890.db2.gz SGEALWIVQDCTEL-NEPJUHHUSA-N 2 1 228.380 1.874 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000300215102 592504721 /nfs/dbraw/zinc/50/47/21/592504721.db2.gz JJGLXWWJBRMXRZ-IFWUJCSASA-N 2 1 224.348 1.380 20 0 BDADMP COC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000300215102 592504723 /nfs/dbraw/zinc/50/47/23/592504723.db2.gz JJGLXWWJBRMXRZ-IFWUJCSASA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCCC1CCOCC1 ZINC000300783337 592519594 /nfs/dbraw/zinc/51/95/94/592519594.db2.gz RXJPBBOZKFFAKS-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001577368918 993619013 /nfs/dbraw/zinc/61/90/13/993619013.db2.gz LTHJJMCRQMQVBL-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000925705144 634386010 /nfs/dbraw/zinc/38/60/10/634386010.db2.gz HYQXUUQFIJNNKL-YNEHKIRRSA-N 2 1 237.391 1.378 20 0 BDADMP [NH3+]CCCCCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925708211 634398268 /nfs/dbraw/zinc/39/82/68/634398268.db2.gz GYORTOVLQKBQSJ-MEBFFEOJSA-N 2 1 237.391 1.092 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CO1 ZINC000925714444 634427966 /nfs/dbraw/zinc/42/79/66/634427966.db2.gz YTEGEGNMUFNZQK-GRYCIOLGSA-N 2 1 224.348 1.428 20 0 BDADMP CC1(C)COC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000313096406 634448702 /nfs/dbraw/zinc/44/87/02/634448702.db2.gz DMZUZSAUKGHKKA-AAEUAGOBSA-N 2 1 238.375 1.485 20 0 BDADMP CC1(C)COC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000313096409 634450114 /nfs/dbraw/zinc/45/01/14/634450114.db2.gz DMZUZSAUKGHKKA-WCQYABFASA-N 2 1 238.375 1.485 20 0 BDADMP Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc(N)[nH+]1 ZINC000310102138 634463389 /nfs/dbraw/zinc/46/33/89/634463389.db2.gz NUJQYQMPJUPIHF-SNVBAGLBSA-N 2 1 237.351 1.508 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093214404 634463709 /nfs/dbraw/zinc/46/37/09/634463709.db2.gz PSQJLECAXLHYHP-IHRRRGAJSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925727991 634527273 /nfs/dbraw/zinc/52/72/73/634527273.db2.gz RTNKCPZLAWUPGK-RKQHYHRCSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CC[NH2+]CC1 ZINC000925728437 634528853 /nfs/dbraw/zinc/52/88/53/634528853.db2.gz VDQBRIGLPZNCIK-WZRBSPASSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000310116159 634587307 /nfs/dbraw/zinc/58/73/07/634587307.db2.gz CLEOOBCMOAVANA-YPMHNXCESA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000310116159 634587310 /nfs/dbraw/zinc/58/73/10/634587310.db2.gz CLEOOBCMOAVANA-YPMHNXCESA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)nn1C ZINC000925830492 635466026 /nfs/dbraw/zinc/46/60/26/635466026.db2.gz ABCQUDJSLOOWIO-GFCCVEGCSA-N 2 1 236.363 1.001 20 0 BDADMP C[C@H]1CC[C@H](C)C1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925833734 635479445 /nfs/dbraw/zinc/47/94/45/635479445.db2.gz XLPNAEWDFSVECB-RYUDHWBXSA-N 2 1 240.391 1.467 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925860443 635554631 /nfs/dbraw/zinc/55/46/31/635554631.db2.gz YRVWZPCCCXBBHW-NEPJUHHUSA-N 2 1 226.364 1.412 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925891153 635616729 /nfs/dbraw/zinc/61/67/29/635616729.db2.gz SXHGKLPLVCEUCK-QWHCGFSZSA-N 2 1 249.358 1.905 20 0 BDADMP CC(C)N1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925877907 635602650 /nfs/dbraw/zinc/60/26/50/635602650.db2.gz XVLUMIOBXLEIFM-OLZOCXBDSA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000925881198 635608371 /nfs/dbraw/zinc/60/83/71/635608371.db2.gz YZSJHPYWEARMRJ-RQJABVFESA-N 2 1 239.407 1.624 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCO ZINC000308541601 631331533 /nfs/dbraw/zinc/33/15/33/631331533.db2.gz URLXJFUSXHAQCZ-MNOVXSKESA-N 2 1 202.342 1.076 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCO ZINC000308541601 631331539 /nfs/dbraw/zinc/33/15/39/631331539.db2.gz URLXJFUSXHAQCZ-MNOVXSKESA-N 2 1 202.342 1.076 20 0 BDADMP CC[N@@H+]1CCC[C@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000891461881 631371486 /nfs/dbraw/zinc/37/14/86/631371486.db2.gz YMODYZABERXUHJ-JTQLQIEISA-N 2 1 235.335 1.263 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000891461881 631371491 /nfs/dbraw/zinc/37/14/91/631371491.db2.gz YMODYZABERXUHJ-JTQLQIEISA-N 2 1 235.335 1.263 20 0 BDADMP C[C@@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891695997 631452158 /nfs/dbraw/zinc/45/21/58/631452158.db2.gz GZFXVLFEKLEABJ-LLVKDONJSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@@H](O)CCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733239 631494693 /nfs/dbraw/zinc/49/46/93/631494693.db2.gz GVLYLCHDPGJTKM-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)CCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733239 631494700 /nfs/dbraw/zinc/49/47/00/631494700.db2.gz GVLYLCHDPGJTKM-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)CCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733239 631494708 /nfs/dbraw/zinc/49/47/08/631494708.db2.gz GVLYLCHDPGJTKM-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000062053789 631561811 /nfs/dbraw/zinc/56/18/11/631561811.db2.gz UYICBWAZODNUTO-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000062053789 631561825 /nfs/dbraw/zinc/56/18/25/631561825.db2.gz UYICBWAZODNUTO-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP C[C@@H](C[NH2+]C1CCN(C)CC1)C[NH+]1CCCC1 ZINC000062077956 631644811 /nfs/dbraw/zinc/64/48/11/631644811.db2.gz SKLMREOACNVWPG-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000234710657 631668768 /nfs/dbraw/zinc/66/87/68/631668768.db2.gz RYLBSQSQVIDPHS-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000051691811 631868751 /nfs/dbraw/zinc/86/87/51/631868751.db2.gz MFBQSOWISULKPZ-LLVKDONJSA-N 2 1 238.379 1.385 20 0 BDADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000156904425 632406004 /nfs/dbraw/zinc/40/60/04/632406004.db2.gz OHKDYJMHJDDJHS-WOPDTQHZSA-N 2 1 230.421 1.915 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC2(CCCC2)C1 ZINC000308913710 632417375 /nfs/dbraw/zinc/41/73/75/632417375.db2.gz HMHZZSNXLMNUQK-LBPRGKRZSA-N 2 1 208.349 1.862 20 0 BDADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cnns2)CC1 ZINC000308936856 632529789 /nfs/dbraw/zinc/52/97/89/632529789.db2.gz SYFFRVAUQVKBGF-MRVPVSSYSA-N 2 1 226.349 1.097 20 0 BDADMP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926559067 632532860 /nfs/dbraw/zinc/53/28/60/632532860.db2.gz LSFHVVUYDZESQS-SGMGOOAPSA-N 2 1 240.391 1.874 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000309983147 632689443 /nfs/dbraw/zinc/68/94/43/632689443.db2.gz IKGBFMJNNUWEDG-MJBXVCDLSA-N 2 1 238.375 1.175 20 0 BDADMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCCCCC[NH3+] ZINC000310182598 632706802 /nfs/dbraw/zinc/70/68/02/632706802.db2.gz WSLNZONMQZWKOC-NEPJUHHUSA-N 2 1 241.379 1.091 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCCCO)C2)C1 ZINC000310532028 632756451 /nfs/dbraw/zinc/75/64/51/632756451.db2.gz QCKDJTVQSHDEFX-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CC1(F)F ZINC000926702428 632838587 /nfs/dbraw/zinc/83/85/87/632838587.db2.gz BVOVTYGAHFJVQP-MBYGNEARSA-N 2 1 244.329 1.962 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309258489 632850486 /nfs/dbraw/zinc/85/04/86/632850486.db2.gz BJMPUYBCPDCSOT-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000162043113 633017750 /nfs/dbraw/zinc/01/77/50/633017750.db2.gz QUTFVCPDRDLJSV-FTPDJBBVSA-N 2 1 222.376 1.996 20 0 BDADMP C[N@@H+](Cc1cocn1)C1CCC([NH3+])CC1 ZINC000309501278 633181899 /nfs/dbraw/zinc/18/18/99/633181899.db2.gz VAEMTGPUVMDGLO-UHFFFAOYSA-N 2 1 209.293 1.376 20 0 BDADMP Cc1nc(C)c(C[NH2+]C2CC([NH3+])C2)s1 ZINC000306300643 635962173 /nfs/dbraw/zinc/96/21/73/635962173.db2.gz GANKJEMXKZGSAY-UHFFFAOYSA-N 2 1 211.334 1.339 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000306999896 635978877 /nfs/dbraw/zinc/97/88/77/635978877.db2.gz ABNLTJMCCOHVHZ-DCAQKATOSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894939430 636010107 /nfs/dbraw/zinc/01/01/07/636010107.db2.gz KOCNALOUFCNCJE-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@@H+](CC1CCOCC1)CC1CC[NH+](C)CC1 ZINC000336715945 636000451 /nfs/dbraw/zinc/00/04/51/636000451.db2.gz VIAFTMHZHGHUNC-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@@H+](CCC1SCCS1)C1CC[NH2+]CC1 ZINC000853023384 633796579 /nfs/dbraw/zinc/79/65/79/633796579.db2.gz VRDZUCQZHRIUBY-UHFFFAOYSA-N 2 1 246.445 1.866 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000925539267 633947291 /nfs/dbraw/zinc/94/72/91/633947291.db2.gz APOOSDHSQNSQPH-IJLUTSLNSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000309734898 633997520 /nfs/dbraw/zinc/99/75/20/633997520.db2.gz CCWDOYQQCUEEGB-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CCC[N@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000309734898 633997525 /nfs/dbraw/zinc/99/75/25/633997525.db2.gz CCWDOYQQCUEEGB-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925611126 634150921 /nfs/dbraw/zinc/15/09/21/634150921.db2.gz KLLFSVNVZMWUOO-OLZOCXBDSA-N 2 1 240.391 1.802 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[NH2+][C@H]1C ZINC000925676489 634266171 /nfs/dbraw/zinc/26/61/71/634266171.db2.gz MQERRNAVSQKQCI-MELADBBJSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925675978 634266330 /nfs/dbraw/zinc/26/63/30/634266330.db2.gz KNVLHZLNBYARLT-MNOVXSKESA-N 2 1 212.337 1.286 20 0 BDADMP C1=C(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCOC1 ZINC000925679663 634277385 /nfs/dbraw/zinc/27/73/85/634277385.db2.gz LDUSRRFODRMXHR-GFCCVEGCSA-N 2 1 222.332 1.207 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689829 634309239 /nfs/dbraw/zinc/30/92/39/634309239.db2.gz IRYXEAGHNHUVOD-VXGBXAGGSA-N 3 1 227.396 1.482 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000194206266 634309912 /nfs/dbraw/zinc/30/99/12/634309912.db2.gz RMGFSIUIMBXCGR-ZDUSSCGKSA-N 2 1 242.363 1.237 20 0 BDADMP C[NH+]1C[C@@]2(C)C[NH+](CCc3cn[nH]c3)C[C@]2(C)C1 ZINC000931314400 634332759 /nfs/dbraw/zinc/33/27/59/634332759.db2.gz NYVFYHLRJAOCRI-KBPBESRZSA-N 2 1 248.374 1.226 20 0 BDADMP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCC1 ZINC000925695412 634349062 /nfs/dbraw/zinc/34/90/62/634349062.db2.gz WITOYVBCWXJWDE-QWHCGFSZSA-N 2 1 238.375 1.412 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925698138 634362247 /nfs/dbraw/zinc/36/22/47/634362247.db2.gz CFIAJVIQEIOQRL-WHOHXGKFSA-N 2 1 212.337 1.128 20 0 BDADMP CC1([NH+]2CCC2)CC[NH+](CCOC2CC2)CC1 ZINC000931699111 635249227 /nfs/dbraw/zinc/24/92/27/635249227.db2.gz AABBVCRISJWEIW-UHFFFAOYSA-N 2 1 238.375 1.726 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCC2 ZINC000925781922 635275054 /nfs/dbraw/zinc/27/50/54/635275054.db2.gz HPGICSLQGICUEI-NDBYEHHHSA-N 2 1 238.375 1.532 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925792123 635324444 /nfs/dbraw/zinc/32/44/44/635324444.db2.gz TVXLLYSUNRLEHR-UTUOFQBUSA-N 2 1 236.363 1.409 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925824724 635414707 /nfs/dbraw/zinc/41/47/07/635414707.db2.gz UZACJDKSGRIMEV-LBELIVKGSA-N 2 1 220.360 1.905 20 0 BDADMP CC[C@H]1CO[C@@H](C)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234056662 635546959 /nfs/dbraw/zinc/54/69/59/635546959.db2.gz GHJAJSHAPDNFJY-VOAKCMCISA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H]1CO[C@@H](C)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234056662 635546965 /nfs/dbraw/zinc/54/69/65/635546965.db2.gz GHJAJSHAPDNFJY-VOAKCMCISA-N 2 1 226.364 1.341 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925873244 635591137 /nfs/dbraw/zinc/59/11/37/635591137.db2.gz HCOHFEBECYKEKM-RWMBFGLXSA-N 2 1 228.380 1.635 20 0 BDADMP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)[C@H]1CC[NH2+]C1 ZINC000925873885 635595029 /nfs/dbraw/zinc/59/50/29/635595029.db2.gz MQLYCRPGXPVEBU-JQWIXIFHSA-N 2 1 248.374 1.385 20 0 BDADMP CC[C@H]1C[N@@H+](CCc2cccnc2)CC[C@@H]1[NH3+] ZINC000147518420 636698296 /nfs/dbraw/zinc/69/82/96/636698296.db2.gz HVBFUIDPJCYZCG-KBPBESRZSA-N 2 1 233.359 1.683 20 0 BDADMP C[N@H+](CC[NH2+]C(C)(C)C)CC1CCOCC1 ZINC000053661347 636715788 /nfs/dbraw/zinc/71/57/88/636715788.db2.gz BXHYSAOHUXIWNL-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@@H+](CC[NH2+]C(C)(C)C)CC1CCOCC1 ZINC000053661347 636715793 /nfs/dbraw/zinc/71/57/93/636715793.db2.gz BXHYSAOHUXIWNL-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)(C)[NH2+]CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932290 636891162 /nfs/dbraw/zinc/89/11/62/636891162.db2.gz UHPUMQWJJGRJAV-GFCCVEGCSA-N 2 1 225.380 1.155 20 0 BDADMP CCO[C@H](C[NH2+]C1[C@H](C)CC[C@H]1C)C[NH+](C)C ZINC000926963438 636973990 /nfs/dbraw/zinc/97/39/90/636973990.db2.gz UFBWXNNGZLVLCD-JHJVBQTASA-N 2 1 242.407 1.977 20 0 BDADMP CCO[C@@H](C[NH2+]C1CC(C)(C)C1)C[NH+](C)C ZINC000926964966 636977591 /nfs/dbraw/zinc/97/75/91/636977591.db2.gz YULWBRQEDRAJQK-LBPRGKRZSA-N 2 1 228.380 1.731 20 0 BDADMP OCC[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000042409292 637230930 /nfs/dbraw/zinc/23/09/30/637230930.db2.gz IPNQWLKXQLRVAI-ZDUSSCGKSA-N 2 1 226.364 1.365 20 0 BDADMP O[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903204607 637355467 /nfs/dbraw/zinc/35/54/67/637355467.db2.gz WCTGHAIILVOMAI-TZUOQKNYSA-N 2 1 236.359 1.257 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000903463631 637364854 /nfs/dbraw/zinc/36/48/54/637364854.db2.gz HDQFLIYVWHUHKF-MQYQWHSLSA-N 2 1 240.391 1.325 20 0 BDADMP CCC[N@@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725263 637379883 /nfs/dbraw/zinc/37/98/83/637379883.db2.gz YMSFQXOUNDKHNB-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721938 637380039 /nfs/dbraw/zinc/38/00/39/637380039.db2.gz GGZAGHDORCOKFQ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903724846 637380165 /nfs/dbraw/zinc/38/01/65/637380165.db2.gz RDCWNYPZWBOXGB-CHWSQXEVSA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccncc1)C2 ZINC000903841125 637384808 /nfs/dbraw/zinc/38/48/08/637384808.db2.gz BCWFNIQPZLFOFF-KKUMJFAQSA-N 2 1 245.370 1.826 20 0 BDADMP O[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1F ZINC000903841597 637385312 /nfs/dbraw/zinc/38/53/12/637385312.db2.gz YJHJBEJYKIRYSM-QWHCGFSZSA-N 2 1 244.354 1.171 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000904449150 637414296 /nfs/dbraw/zinc/41/42/96/637414296.db2.gz FPPXKDSRBJXJBL-UHFFFAOYSA-N 2 1 242.326 1.453 20 0 BDADMP C[C@@](O)(C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(F)F ZINC000905058431 637594171 /nfs/dbraw/zinc/59/41/71/637594171.db2.gz GPHXDACETQVGPX-BXKDBHETSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H]([NH2+]C[C@](C)(O)C(F)F)C1=CC[N@@H+](C)CC1 ZINC000905202204 637693704 /nfs/dbraw/zinc/69/37/04/637693704.db2.gz GFVBYGGXPDCHNF-SKDRFNHKSA-N 2 1 248.317 1.243 20 0 BDADMP [NH3+]Cc1cccc(-c2nc(C3([NH3+])CC3)no2)c1 ZINC000905314399 637742480 /nfs/dbraw/zinc/74/24/80/637742480.db2.gz ILHPWHWYKBKNGH-UHFFFAOYSA-N 2 1 230.271 1.143 20 0 BDADMP CC(C)[C@@H](c1nc(C2([NH3+])CC2)no1)[C@H](C)[NH3+] ZINC000905326473 637755496 /nfs/dbraw/zinc/75/54/96/637755496.db2.gz DMVBMDHSSDHVLO-JGVFFNPUSA-N 2 1 224.308 1.104 20 0 BDADMP COc1ccsc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906518380 638187155 /nfs/dbraw/zinc/18/71/55/638187155.db2.gz XZOMPUSDSMPUMU-ZKCHVHJHSA-N 2 1 212.318 1.336 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930902650 639979948 /nfs/dbraw/zinc/97/99/48/639979948.db2.gz DLJWOXGREHAXKA-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931309362 640145128 /nfs/dbraw/zinc/14/51/28/640145128.db2.gz QSHAONOFUHXKMM-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CSCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308454 640143320 /nfs/dbraw/zinc/14/33/20/640143320.db2.gz OCJJIFNVGAYLBL-RYUDHWBXSA-N 2 1 228.405 1.623 20 0 BDADMP CC(C)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309362 640145132 /nfs/dbraw/zinc/14/51/32/640145132.db2.gz QSHAONOFUHXKMM-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309362 640145139 /nfs/dbraw/zinc/14/51/39/640145139.db2.gz QSHAONOFUHXKMM-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931309362 640145144 /nfs/dbraw/zinc/14/51/44/640145144.db2.gz QSHAONOFUHXKMM-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP CC(C)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931309362 640145151 /nfs/dbraw/zinc/14/51/51/640145151.db2.gz QSHAONOFUHXKMM-BETUJISGSA-N 2 1 210.365 1.916 20 0 BDADMP C[NH+](C)C1(C)CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000931353432 640168771 /nfs/dbraw/zinc/16/87/71/640168771.db2.gz BZOBDJMBTXKUDY-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP COC[C@H](C[NH+]1CCC(C)([NH+](C)C)CC1)OC ZINC000931356250 640170090 /nfs/dbraw/zinc/17/00/90/640170090.db2.gz TXAXFOYZXYLPSI-LBPRGKRZSA-N 2 1 244.379 1.064 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2C1 ZINC000931428955 640197104 /nfs/dbraw/zinc/19/71/04/640197104.db2.gz DNNGIODMDBIPCW-BOCAPUTCSA-N 2 1 214.740 1.622 20 0 BDADMP Cc1ccnc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC000931435321 640201364 /nfs/dbraw/zinc/20/13/64/640201364.db2.gz BQSWKIPHAQFBLG-KGLIPLIRSA-N 2 1 245.370 1.774 20 0 BDADMP Cc1ccnc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC000931435321 640201367 /nfs/dbraw/zinc/20/13/67/640201367.db2.gz BQSWKIPHAQFBLG-KGLIPLIRSA-N 2 1 245.370 1.774 20 0 BDADMP Cc1ccnc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC000931435321 640201368 /nfs/dbraw/zinc/20/13/68/640201368.db2.gz BQSWKIPHAQFBLG-KGLIPLIRSA-N 2 1 245.370 1.774 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC000931435061 640203689 /nfs/dbraw/zinc/20/36/89/640203689.db2.gz FPRQHHYKBBPBLS-OLZOCXBDSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC000931435061 640203691 /nfs/dbraw/zinc/20/36/91/640203691.db2.gz FPRQHHYKBBPBLS-OLZOCXBDSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC000931435061 640203694 /nfs/dbraw/zinc/20/36/94/640203694.db2.gz FPRQHHYKBBPBLS-OLZOCXBDSA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H](O)CCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438712 640204417 /nfs/dbraw/zinc/20/44/17/640204417.db2.gz YHVAEEPVKKBZNJ-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)CCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438712 640204425 /nfs/dbraw/zinc/20/44/25/640204425.db2.gz YHVAEEPVKKBZNJ-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)CCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438712 640204436 /nfs/dbraw/zinc/20/44/36/640204436.db2.gz YHVAEEPVKKBZNJ-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP COCCCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719406 640341325 /nfs/dbraw/zinc/34/13/25/640341325.db2.gz RFHMIVXSPGKJOF-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP COCCCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719406 640341333 /nfs/dbraw/zinc/34/13/33/640341333.db2.gz RFHMIVXSPGKJOF-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP COCCCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719406 640341343 /nfs/dbraw/zinc/34/13/43/640341343.db2.gz RFHMIVXSPGKJOF-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP COCCCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719406 640341349 /nfs/dbraw/zinc/34/13/49/640341349.db2.gz RFHMIVXSPGKJOF-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000166225451 640623073 /nfs/dbraw/zinc/62/30/73/640623073.db2.gz YKBMRYUAWACJOY-QWRGUYRKSA-N 2 1 224.373 1.960 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000932969278 640655925 /nfs/dbraw/zinc/65/59/25/640655925.db2.gz AIDRDBBCMDDYLM-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000932969278 640655927 /nfs/dbraw/zinc/65/59/27/640655927.db2.gz AIDRDBBCMDDYLM-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000932969278 640655931 /nfs/dbraw/zinc/65/59/31/640655931.db2.gz AIDRDBBCMDDYLM-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C1=CO[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000157452626 640684910 /nfs/dbraw/zinc/68/49/10/640684910.db2.gz SSZWOUTVAVIEGE-IHRRRGAJSA-N 2 1 236.359 1.896 20 0 BDADMP CCSCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732799 640753519 /nfs/dbraw/zinc/75/35/19/640753519.db2.gz BYNKCGDWXIQQGE-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734102 640755963 /nfs/dbraw/zinc/75/59/63/640755963.db2.gz LOTAKYIYZDWTOJ-FVCCEPFGSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734102 640755969 /nfs/dbraw/zinc/75/59/69/640755969.db2.gz LOTAKYIYZDWTOJ-FVCCEPFGSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734102 640755977 /nfs/dbraw/zinc/75/59/77/640755977.db2.gz LOTAKYIYZDWTOJ-FVCCEPFGSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734841 640760745 /nfs/dbraw/zinc/76/07/45/640760745.db2.gz SCQPXAGFTVPNRL-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734841 640760750 /nfs/dbraw/zinc/76/07/50/640760750.db2.gz SCQPXAGFTVPNRL-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734841 640760755 /nfs/dbraw/zinc/76/07/55/640760755.db2.gz SCQPXAGFTVPNRL-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226540773 640773992 /nfs/dbraw/zinc/77/39/92/640773992.db2.gz KXTHJEVRMWPTET-VXGBXAGGSA-N 2 1 214.353 1.208 20 0 BDADMP C(C[C@H]1CCCO1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226829591 640799579 /nfs/dbraw/zinc/79/95/79/640799579.db2.gz XSNCLKOMIIAARE-BFHYXJOUSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000227212024 640820965 /nfs/dbraw/zinc/82/09/65/640820965.db2.gz RCJMYMRMARDSKV-KWCYVHTRSA-N 2 1 234.343 1.389 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000227813661 640849720 /nfs/dbraw/zinc/84/97/20/640849720.db2.gz SQHYZMSAMXQEOG-QNWHQSFQSA-N 2 1 224.348 1.367 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCCOCC1 ZINC000061934900 641008529 /nfs/dbraw/zinc/00/85/29/641008529.db2.gz XPWDLDCMNUGORY-UHFFFAOYSA-N 2 1 214.353 1.618 20 0 BDADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)co1 ZINC000062103622 641022155 /nfs/dbraw/zinc/02/21/55/641022155.db2.gz GPMAMPODDMSPPQ-NSHDSACASA-N 2 1 220.316 1.854 20 0 BDADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)co1 ZINC000062103622 641022156 /nfs/dbraw/zinc/02/21/56/641022156.db2.gz GPMAMPODDMSPPQ-NSHDSACASA-N 2 1 220.316 1.854 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000934120075 641082720 /nfs/dbraw/zinc/08/27/20/641082720.db2.gz ZEHXLYGLRRCPLT-RWMBFGLXSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[C@@H]1[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000934120075 641082723 /nfs/dbraw/zinc/08/27/23/641082723.db2.gz ZEHXLYGLRRCPLT-RWMBFGLXSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@@H]1CC[C@@H]1[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000934120075 641082729 /nfs/dbraw/zinc/08/27/29/641082729.db2.gz ZEHXLYGLRRCPLT-RWMBFGLXSA-N 2 1 226.364 1.580 20 0 BDADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000934119607 641083472 /nfs/dbraw/zinc/08/34/72/641083472.db2.gz XSUPHLNALRFLKJ-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000062861982 641099718 /nfs/dbraw/zinc/09/97/18/641099718.db2.gz XGDQNLPBMSUFRR-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121493 641134911 /nfs/dbraw/zinc/13/49/11/641134911.db2.gz ZDUATKPSYMDPAM-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000323948852 641310924 /nfs/dbraw/zinc/31/09/24/641310924.db2.gz CJTUSLSPVIXATB-RYUDHWBXSA-N 2 1 228.380 1.323 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1CCCOC ZINC000042407913 641551638 /nfs/dbraw/zinc/55/16/38/641551638.db2.gz XIHALWJTDVKPAC-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCOC ZINC000042407913 641551634 /nfs/dbraw/zinc/55/16/34/641551634.db2.gz XIHALWJTDVKPAC-LLVKDONJSA-N 2 1 200.326 1.097 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000032009954 641707816 /nfs/dbraw/zinc/70/78/16/641707816.db2.gz NOIHJEXVAYIGOR-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915239 642710448 /nfs/dbraw/zinc/71/04/48/642710448.db2.gz FUSYZYKRNSWOFM-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP COCC[C@@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420405145 642724492 /nfs/dbraw/zinc/72/44/92/642724492.db2.gz PATIMESGMGNRQM-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420405145 642724496 /nfs/dbraw/zinc/72/44/96/642724496.db2.gz PATIMESGMGNRQM-VXGBXAGGSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353500234 642857965 /nfs/dbraw/zinc/85/79/65/642857965.db2.gz WXOICZJDQQKMRN-LBPRGKRZSA-N 2 1 245.330 1.582 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2nonc2C)CC1 ZINC000070262403 643007796 /nfs/dbraw/zinc/00/77/96/643007796.db2.gz WZFTURDIHYRYLP-UHFFFAOYSA-N 2 1 238.335 1.200 20 0 BDADMP CC(C)([NH3+])CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304570069 643128183 /nfs/dbraw/zinc/12/81/83/643128183.db2.gz HXKCFYPKOLQPCY-RYUDHWBXSA-N 2 1 225.380 1.330 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304570069 643128188 /nfs/dbraw/zinc/12/81/88/643128188.db2.gz HXKCFYPKOLQPCY-RYUDHWBXSA-N 3 1 225.380 1.330 20 0 BDADMP CC(C)([NH3+])CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304570069 643128196 /nfs/dbraw/zinc/12/81/96/643128196.db2.gz HXKCFYPKOLQPCY-RYUDHWBXSA-N 3 1 225.380 1.330 20 0 BDADMP CCNC(NCC[N@@H+](CC)C(C)C)=[NH+]CC ZINC000066246534 643165247 /nfs/dbraw/zinc/16/52/47/643165247.db2.gz BXDWFDBSJPVCEM-UHFFFAOYSA-N 2 1 228.384 1.292 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](CCC2OCCO2)CC1 ZINC000185366228 643301426 /nfs/dbraw/zinc/30/14/26/643301426.db2.gz KHDXHZMBIHNJKF-UHFFFAOYSA-N 2 1 242.363 1.212 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC1CCOCC1 ZINC000082545751 643340316 /nfs/dbraw/zinc/34/03/16/643340316.db2.gz LODIXWKUKGXICX-UHFFFAOYSA-N 2 1 228.380 1.864 20 0 BDADMP ClC1(Cl)C[C@@H]1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000306998182 643383648 /nfs/dbraw/zinc/38/36/48/643383648.db2.gz XURMQYZWIPQORB-XHNCKOQMSA-N 2 1 235.158 1.331 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000082952631 643391528 /nfs/dbraw/zinc/39/15/28/643391528.db2.gz OCLVCFJWICUIOD-SNVBAGLBSA-N 2 1 210.346 1.919 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC000069721149 643450170 /nfs/dbraw/zinc/45/01/70/643450170.db2.gz WYAWJLBECPBWPE-YVGDHZEHSA-N 2 1 202.729 1.942 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921620859 643629127 /nfs/dbraw/zinc/62/91/27/643629127.db2.gz VPSHWCGICXKEKA-CYBMUJFWSA-N 2 1 249.358 1.607 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000084221558 643651309 /nfs/dbraw/zinc/65/13/09/643651309.db2.gz HHPAYLYTWCEPQT-NEPJUHHUSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1nccs1 ZINC000084222446 643653547 /nfs/dbraw/zinc/65/35/47/643653547.db2.gz CGGUOWIUEOAAKT-AEJSXWLSSA-N 2 1 225.361 1.921 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245156 643657709 /nfs/dbraw/zinc/65/77/09/643657709.db2.gz OVFNMUQIRNSZKA-JTQLQIEISA-N 2 1 209.293 1.072 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245156 643657713 /nfs/dbraw/zinc/65/77/13/643657713.db2.gz OVFNMUQIRNSZKA-JTQLQIEISA-N 2 1 209.293 1.072 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000050247753 643661604 /nfs/dbraw/zinc/66/16/04/643661604.db2.gz IYZKSMLAHKQIOK-GFCCVEGCSA-N 2 1 247.342 1.296 20 0 BDADMP C[C@H](C[NH2+]Cc1cnn(CCF)c1)C[NH+](C)C ZINC000922140499 643870620 /nfs/dbraw/zinc/87/06/20/643870620.db2.gz QKSPTKSAIQKQJR-LLVKDONJSA-N 2 1 242.342 1.140 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922180638 643894521 /nfs/dbraw/zinc/89/45/21/643894521.db2.gz DLTRTOIOTWDKPX-LBPRGKRZSA-N 2 1 249.358 1.609 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922314168 643967722 /nfs/dbraw/zinc/96/77/22/643967722.db2.gz VGHPAZINGXIUQX-WDEREUQCSA-N 2 1 244.379 1.456 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922314168 643967730 /nfs/dbraw/zinc/96/77/30/643967730.db2.gz VGHPAZINGXIUQX-WDEREUQCSA-N 2 1 244.379 1.456 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)C[NH+](C)C ZINC000922757663 644087412 /nfs/dbraw/zinc/08/74/12/644087412.db2.gz JLTXKALJOOKFIY-JHJVBQTASA-N 2 1 244.379 1.110 20 0 BDADMP CCO[C@H](C[NH2+]C[C@@H](C)CC)C[NH+](C)C ZINC000922758042 644087630 /nfs/dbraw/zinc/08/76/30/644087630.db2.gz OZKGTPNEWRQTLX-NWDGAFQWSA-N 2 1 216.369 1.589 20 0 BDADMP CCO[C@@H](C[NH2+]CC(C)(C)C)C[NH+](C)C ZINC000922756280 644087753 /nfs/dbraw/zinc/08/77/53/644087753.db2.gz HYKNKZXRLZXIDA-NSHDSACASA-N 2 1 216.369 1.589 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@@H](C)CC)C[NH+](C)C ZINC000922758043 644088000 /nfs/dbraw/zinc/08/80/00/644088000.db2.gz OZKGTPNEWRQTLX-RYUDHWBXSA-N 2 1 216.369 1.589 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)C[NH+](C)C ZINC000922757662 644088260 /nfs/dbraw/zinc/08/82/60/644088260.db2.gz JLTXKALJOOKFIY-FRRDWIJNSA-N 2 1 244.379 1.110 20 0 BDADMP CCO[C@H](C[NH2+]C1CCCCC1)C[NH+](C)C ZINC000922759645 644089671 /nfs/dbraw/zinc/08/96/71/644089671.db2.gz ITESTBPYZIAEKN-CYBMUJFWSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCNC(NC)=[NH+]C ZINC000073840197 644136907 /nfs/dbraw/zinc/13/69/07/644136907.db2.gz KREYKNJEZHKOJS-LLVKDONJSA-N 2 1 226.368 1.046 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCCCCC1 ZINC000321708939 644153683 /nfs/dbraw/zinc/15/36/83/644153683.db2.gz CTPQUVYAYWQQLK-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP C(C1CC1)[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000923275795 644309029 /nfs/dbraw/zinc/30/90/29/644309029.db2.gz WWEGXWWNDLVCIN-CQSZACIVSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282419 644313539 /nfs/dbraw/zinc/31/35/39/644313539.db2.gz VVFUGGRFYZOBGS-OLZOCXBDSA-N 2 1 228.380 1.454 20 0 BDADMP CCc1ncc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000923289827 644324654 /nfs/dbraw/zinc/32/46/54/644324654.db2.gz SRHRTXPJZMVPRU-QWRGUYRKSA-N 2 1 237.347 1.796 20 0 BDADMP CCc1ncc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000923289827 644324657 /nfs/dbraw/zinc/32/46/57/644324657.db2.gz SRHRTXPJZMVPRU-QWRGUYRKSA-N 2 1 237.347 1.796 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC000923291795 644329217 /nfs/dbraw/zinc/32/92/17/644329217.db2.gz SDMIOBGRIOOFAH-LLVKDONJSA-N 2 1 202.342 1.064 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000923292741 644330026 /nfs/dbraw/zinc/33/00/26/644330026.db2.gz KXNRCIJGPKILSY-STQMWFEESA-N 2 1 228.380 1.741 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000923292741 644330030 /nfs/dbraw/zinc/33/00/30/644330030.db2.gz KXNRCIJGPKILSY-STQMWFEESA-N 2 1 228.380 1.741 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294983 644333628 /nfs/dbraw/zinc/33/36/28/644333628.db2.gz RYAUAVXNNJNLTB-GFCCVEGCSA-N 2 1 230.396 1.700 20 0 BDADMP CC[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1CCOC1 ZINC000923305596 644339994 /nfs/dbraw/zinc/33/99/94/644339994.db2.gz HFMUQVJEFJYZOK-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000923303315 644341783 /nfs/dbraw/zinc/34/17/83/644341783.db2.gz KPSLLFDKRQVAKB-QPSCCSFWSA-N 2 1 246.354 1.327 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317934 644343817 /nfs/dbraw/zinc/34/38/17/644343817.db2.gz HEORFABTWMTCKF-TUAOUCFPSA-N 2 1 224.348 1.238 20 0 BDADMP CC[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923318847 644343871 /nfs/dbraw/zinc/34/38/71/644343871.db2.gz PQARCFBUTKXXRS-NWDGAFQWSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)C[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316317 644344111 /nfs/dbraw/zinc/34/41/11/644344111.db2.gz HKNUBKDMXABWLI-XUXIUFHCSA-N 2 1 240.391 1.595 20 0 BDADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000923315778 644344990 /nfs/dbraw/zinc/34/49/90/644344990.db2.gz JUFWJHAQFMVWFQ-FRRDWIJNSA-N 2 1 236.359 1.382 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923331081 644348838 /nfs/dbraw/zinc/34/88/38/644348838.db2.gz KFTREHQGCCXEHR-NWANDNLSSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923331080 644350705 /nfs/dbraw/zinc/35/07/05/644350705.db2.gz KFTREHQGCCXEHR-CFVMTHIKSA-N 2 1 248.370 1.259 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923335178 644356497 /nfs/dbraw/zinc/35/64/97/644356497.db2.gz LXGFTRMHODGCBD-UONOGXRCSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@@H+](C[C@H](O)CSC)[C@@H]1CCC[NH2+]CC1 ZINC000923336136 644357066 /nfs/dbraw/zinc/35/70/66/644357066.db2.gz QMCKFQBAJLFPQI-NEPJUHHUSA-N 2 1 246.420 1.174 20 0 BDADMP CC[N@@H+](C[C@@H](O)CSC)[C@H]1CCC[NH2+]CC1 ZINC000923336138 644357190 /nfs/dbraw/zinc/35/71/90/644357190.db2.gz QMCKFQBAJLFPQI-NWDGAFQWSA-N 2 1 246.420 1.174 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](O)CCC(C)C)CC[C@H]1[NH3+] ZINC000923346014 644365323 /nfs/dbraw/zinc/36/53/23/644365323.db2.gz SWQQHKQQXKEVMD-MGPQQGTHSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@H+](C[C@@H](O)Cc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000923355698 644373861 /nfs/dbraw/zinc/37/38/61/644373861.db2.gz AOPFWJKOEMYAAO-GJZGRUSLSA-N 2 1 248.370 1.259 20 0 BDADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000923355698 644373869 /nfs/dbraw/zinc/37/38/69/644373869.db2.gz AOPFWJKOEMYAAO-GJZGRUSLSA-N 2 1 248.370 1.259 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923362193 644385660 /nfs/dbraw/zinc/38/56/60/644385660.db2.gz LDENVJFFRQRXKV-GFCCVEGCSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923362193 644385670 /nfs/dbraw/zinc/38/56/70/644385670.db2.gz LDENVJFFRQRXKV-GFCCVEGCSA-N 2 1 228.380 1.597 20 0 BDADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C1CC([NH3+])C1 ZINC000923361636 644387098 /nfs/dbraw/zinc/38/70/98/644387098.db2.gz JLCOTGSFWGHCHO-NRXISQOPSA-N 2 1 248.370 1.402 20 0 BDADMP C[C@@H]1CCCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923373604 644387941 /nfs/dbraw/zinc/38/79/41/644387941.db2.gz QNQRPPLTVMODPN-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC([NH3+])C1 ZINC000923363062 644388441 /nfs/dbraw/zinc/38/84/41/644388441.db2.gz QJHMMZMSWNXQQT-BPCQOVAHSA-N 2 1 238.306 1.281 20 0 BDADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CC([NH3+])C1 ZINC000923363062 644388445 /nfs/dbraw/zinc/38/84/45/644388445.db2.gz QJHMMZMSWNXQQT-BPCQOVAHSA-N 2 1 238.306 1.281 20 0 BDADMP C[N@H+](C[C@@H](O)Cc1ccccc1)C1(C[NH3+])CCC1 ZINC000923362897 644389420 /nfs/dbraw/zinc/38/94/20/644389420.db2.gz QKWIUCKWMPIYFN-AWEZNQCLSA-N 2 1 248.370 1.403 20 0 BDADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)C1(C[NH3+])CCC1 ZINC000923362897 644389422 /nfs/dbraw/zinc/38/94/22/644389422.db2.gz QKWIUCKWMPIYFN-AWEZNQCLSA-N 2 1 248.370 1.403 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363141 644390011 /nfs/dbraw/zinc/39/00/11/644390011.db2.gz VIMJZSKCPQZKTR-AVGNSLFASA-N 2 1 226.364 1.079 20 0 BDADMP CSC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000923383484 644396965 /nfs/dbraw/zinc/39/69/65/644396965.db2.gz SIJNEXYYHQEOHL-FIQHERPVSA-N 2 1 246.420 1.016 20 0 BDADMP CSC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000923385394 644400270 /nfs/dbraw/zinc/40/02/70/644400270.db2.gz APDOCBFYKHQBSB-UTUOFQBUSA-N 2 1 246.420 1.160 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)CC1=CCSC1 ZINC000923396925 644404403 /nfs/dbraw/zinc/40/44/03/644404403.db2.gz IVDIDWCFBLGSCC-UHFFFAOYSA-N 2 1 226.389 1.734 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CC1=CCSC1 ZINC000923396925 644404405 /nfs/dbraw/zinc/40/44/05/644404405.db2.gz IVDIDWCFBLGSCC-UHFFFAOYSA-N 2 1 226.389 1.734 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000923409148 644412518 /nfs/dbraw/zinc/41/25/18/644412518.db2.gz AIPBDPYJIQLSBY-UWVGGRQHSA-N 2 1 223.320 1.264 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000923409148 644412521 /nfs/dbraw/zinc/41/25/21/644412521.db2.gz AIPBDPYJIQLSBY-UWVGGRQHSA-N 2 1 223.320 1.264 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000923412588 644413796 /nfs/dbraw/zinc/41/37/96/644413796.db2.gz RJFHNACUHCHJHG-DGCLKSJQSA-N 2 1 236.334 1.895 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923412204 644414066 /nfs/dbraw/zinc/41/40/66/644414066.db2.gz PZJAPHYWROQKOE-KGLIPLIRSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000923412204 644414067 /nfs/dbraw/zinc/41/40/67/644414067.db2.gz PZJAPHYWROQKOE-KGLIPLIRSA-N 2 1 242.407 1.987 20 0 BDADMP CSC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000923424790 644419889 /nfs/dbraw/zinc/41/98/89/644419889.db2.gz ZCAWADCTECNPCM-LLVKDONJSA-N 2 1 246.420 1.304 20 0 BDADMP FC[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425507 644419926 /nfs/dbraw/zinc/41/99/26/644419926.db2.gz ZPNNDTFWKJEJEE-VXGBXAGGSA-N 2 1 242.338 1.046 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000923426027 644420649 /nfs/dbraw/zinc/42/06/49/644420649.db2.gz BKZVXUPJCLADLO-GXTWGEPZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000084384791 644422205 /nfs/dbraw/zinc/42/22/05/644422205.db2.gz KWAUYNQQCLGETK-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000084384796 644422603 /nfs/dbraw/zinc/42/26/03/644422603.db2.gz KWAUYNQQCLGETK-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@H](C)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923431169 644424189 /nfs/dbraw/zinc/42/41/89/644424189.db2.gz DEMIWFPWGJCQPT-BNDIWNMDSA-N 2 1 226.364 1.205 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923420122 644424690 /nfs/dbraw/zinc/42/46/90/644424690.db2.gz GLNNKOFSCPGVTO-NWDGAFQWSA-N 2 1 237.347 1.761 20 0 BDADMP CCc1noc([C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923486325 644456393 /nfs/dbraw/zinc/45/63/93/644456393.db2.gz PSHOLVJSAVYHAB-UWVGGRQHSA-N 2 1 238.335 1.364 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000923478516 644457057 /nfs/dbraw/zinc/45/70/57/644457057.db2.gz DCDPDLPWIOTFBN-QWHCGFSZSA-N 2 1 238.375 1.616 20 0 BDADMP COC(=O)CC1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923481915 644460282 /nfs/dbraw/zinc/46/02/82/644460282.db2.gz VAQYVAZMGINWPZ-LLVKDONJSA-N 2 1 240.347 1.000 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@@H]1C[NH3+] ZINC000923489401 644465088 /nfs/dbraw/zinc/46/50/88/644465088.db2.gz JNROOINFZBCKNR-CMPLNLGQSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2N)CC[C@H]1C[NH3+] ZINC000923490352 644465679 /nfs/dbraw/zinc/46/56/79/644465679.db2.gz NBEPUUYZXWYCRR-MNOVXSKESA-N 2 1 234.347 1.081 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491476 644466812 /nfs/dbraw/zinc/46/68/12/644466812.db2.gz IDGVBIWFGGRMNQ-MCIONIFRSA-N 2 1 242.407 1.700 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923492125 644467198 /nfs/dbraw/zinc/46/71/98/644467198.db2.gz WCQBAUJOMBFRTJ-GXTWGEPZSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000923493487 644470835 /nfs/dbraw/zinc/47/08/35/644470835.db2.gz HEXPXLGRNDXCPR-YWVKMMECSA-N 2 1 237.351 1.091 20 0 BDADMP CCCCOC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500760 644472885 /nfs/dbraw/zinc/47/28/85/644472885.db2.gz OWZRCJPINMMOAC-NEPJUHHUSA-N 2 1 242.363 1.246 20 0 BDADMP CCCCOC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500760 644472891 /nfs/dbraw/zinc/47/28/91/644472891.db2.gz OWZRCJPINMMOAC-NEPJUHHUSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC(F)F)CC[C@@H]1C[NH3+] ZINC000923501652 644475961 /nfs/dbraw/zinc/47/59/61/644475961.db2.gz RUQPNQNBBBXVCY-NXEZZACHSA-N 2 1 236.306 1.185 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccno2)CC[C@H]1C[NH3+] ZINC000923501127 644476360 /nfs/dbraw/zinc/47/63/60/644476360.db2.gz ZDQSVUILPYRTMD-UWVGGRQHSA-N 2 1 209.293 1.091 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516755 644480355 /nfs/dbraw/zinc/48/03/55/644480355.db2.gz QYUCOVQPLHTYNF-QWHCGFSZSA-N 2 1 231.343 1.310 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)n1 ZINC000923519001 644482857 /nfs/dbraw/zinc/48/28/57/644482857.db2.gz ILEQIOSVHJOUBF-LSDHHAIUSA-N 2 1 245.370 1.740 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(=O)[nH]1 ZINC000923552971 644495351 /nfs/dbraw/zinc/49/53/51/644495351.db2.gz GORYAFWSJDOHNS-NSHDSACASA-N 2 1 235.331 1.219 20 0 BDADMP C(C[N@H+]1CCOC[C@@H]1CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000923555235 644498801 /nfs/dbraw/zinc/49/88/01/644498801.db2.gz RXHLRUFMQVJSNM-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@H]1CC[NH2+]C1 ZINC000923557675 644500472 /nfs/dbraw/zinc/50/04/72/644500472.db2.gz NESZQLVPTCYHNN-KBPBESRZSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)C[C@H]1CN(C)CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923557675 644500480 /nfs/dbraw/zinc/50/04/80/644500480.db2.gz NESZQLVPTCYHNN-KBPBESRZSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)C[C@H]1CN(C)CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000923557675 644500498 /nfs/dbraw/zinc/50/04/98/644500498.db2.gz NESZQLVPTCYHNN-KBPBESRZSA-N 2 1 239.407 1.258 20 0 BDADMP CCN1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089145446 644536067 /nfs/dbraw/zinc/53/60/67/644536067.db2.gz NRRQAJIYAFLUQJ-GXTWGEPZSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@@H+](CCc1cccnc1)C1CCC([NH3+])CC1 ZINC000091848028 644642943 /nfs/dbraw/zinc/64/29/43/644642943.db2.gz WWRVHXIOCKCHCZ-UHFFFAOYSA-N 2 1 233.359 1.826 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]cc2CO)C[C@H]1C ZINC000250399395 644758768 /nfs/dbraw/zinc/75/87/68/644758768.db2.gz YYAHTAHZYQMOEH-LLVKDONJSA-N 2 1 235.331 1.104 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251038541 644789672 /nfs/dbraw/zinc/78/96/72/644789672.db2.gz KHYQOQVFFNIPMR-TUAOUCFPSA-N 2 1 242.363 1.210 20 0 BDADMP COC(OC)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251038541 644789679 /nfs/dbraw/zinc/78/96/79/644789679.db2.gz KHYQOQVFFNIPMR-TUAOUCFPSA-N 2 1 242.363 1.210 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412630 644849268 /nfs/dbraw/zinc/84/92/68/644849268.db2.gz AEQRISFKGSMSQF-RWMBFGLXSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252565350 644866736 /nfs/dbraw/zinc/86/67/36/644866736.db2.gz YUJMAAFWGKFQCS-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252565350 644866739 /nfs/dbraw/zinc/86/67/39/644866739.db2.gz YUJMAAFWGKFQCS-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc(C)[nH+]1 ZINC000252857906 644918433 /nfs/dbraw/zinc/91/84/33/644918433.db2.gz LOAOCGWRGRMKNT-RWMBFGLXSA-N 2 1 246.358 1.657 20 0 BDADMP CCC[NH+]1CCC([NH2+]CCC(C)(C)[NH3+])CC1 ZINC000304661649 644923925 /nfs/dbraw/zinc/92/39/25/644923925.db2.gz WEIWQRHKJPDUFP-UHFFFAOYSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000253177092 644941637 /nfs/dbraw/zinc/94/16/37/644941637.db2.gz ARBIXILHINXDRB-VXGBXAGGSA-N 2 1 219.332 1.498 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CCCCCC[NH3+] ZINC000843129052 645267795 /nfs/dbraw/zinc/26/77/95/645267795.db2.gz QEKCMGLGYDJAEZ-UHFFFAOYSA-N 2 1 210.325 1.327 20 0 BDADMP c1n[nH]c2c1[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000844925536 645349905 /nfs/dbraw/zinc/34/99/05/645349905.db2.gz RAGIOCPWBQSKGJ-ZDUSSCGKSA-N 2 1 248.374 1.766 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOC(F)F ZINC000852749366 645487144 /nfs/dbraw/zinc/48/71/44/645487144.db2.gz LHBNHYXTELFLAK-VIFPVBQESA-N 2 1 222.279 1.429 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000927025370 645526266 /nfs/dbraw/zinc/52/62/66/645526266.db2.gz HLVBAMDFTROEQL-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)[C@@H]2CCC[C@H]21 ZINC000927145781 645570542 /nfs/dbraw/zinc/57/05/42/645570542.db2.gz BSZCCDXLUBVNHK-HTVCTNPSSA-N 2 1 238.375 1.220 20 0 BDADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)c(C)o1 ZINC000857783111 645667444 /nfs/dbraw/zinc/66/74/44/645667444.db2.gz UDOBJODWVKOKNO-UHFFFAOYSA-N 2 1 233.315 1.962 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858117096 645671574 /nfs/dbraw/zinc/67/15/74/645671574.db2.gz ZQIIBKQOZWFFHN-QWHCGFSZSA-N 2 1 242.407 1.856 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925494124 645730508 /nfs/dbraw/zinc/73/05/08/645730508.db2.gz NJDVRGXIMUDFOB-VXGBXAGGSA-N 2 1 225.380 1.201 20 0 BDADMP NCC[N@@H+](Cc1ccccc1)C[C@H]1CCCOC1 ZINC000220351177 645890372 /nfs/dbraw/zinc/89/03/72/645890372.db2.gz OZWBKYMXDHPIAQ-OAHLLOKOSA-N 2 1 248.370 1.874 20 0 BDADMP NCC[N@H+](Cc1ccccc1)C[C@H]1CCCOC1 ZINC000220351177 645890377 /nfs/dbraw/zinc/89/03/77/645890377.db2.gz OZWBKYMXDHPIAQ-OAHLLOKOSA-N 2 1 248.370 1.874 20 0 BDADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccnnc1 ZINC000924527289 646049129 /nfs/dbraw/zinc/04/91/29/646049129.db2.gz RGTFCIFXIFIBLE-NSHDSACASA-N 2 1 236.363 1.715 20 0 BDADMP Cc1nonc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000924712431 646093506 /nfs/dbraw/zinc/09/35/06/646093506.db2.gz IOWSZVNOBRSETN-SECBINFHSA-N 2 1 249.318 1.624 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924704685 646093564 /nfs/dbraw/zinc/09/35/64/646093564.db2.gz GZZFSEIIXIKTGG-ZIAGYGMSSA-N 2 1 247.386 1.944 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOC2CC2)C1 ZINC000929751336 646281842 /nfs/dbraw/zinc/28/18/42/646281842.db2.gz ZVBKHPXJJDFPMV-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOC2CC2)C1 ZINC000929751336 646281846 /nfs/dbraw/zinc/28/18/46/646281846.db2.gz ZVBKHPXJJDFPMV-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000929750233 646284438 /nfs/dbraw/zinc/28/44/38/646284438.db2.gz SXVPIRORITUQIQ-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925482549 646293791 /nfs/dbraw/zinc/29/37/91/646293791.db2.gz NIBXPRIGPMMSDD-SRVKXCTJSA-N 2 1 226.364 1.268 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925483542 646295241 /nfs/dbraw/zinc/29/52/41/646295241.db2.gz UJFXCTJUSDZSNV-GFCCVEGCSA-N 2 1 227.396 1.448 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925481212 646295347 /nfs/dbraw/zinc/29/53/47/646295347.db2.gz IEHXIZUVYYZUQG-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCO1 ZINC000925500145 646303435 /nfs/dbraw/zinc/30/34/35/646303435.db2.gz AENSRWSCKJXPBO-QWRGUYRKSA-N 2 1 210.321 1.040 20 0 BDADMP COC/C(C)=C/C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929783561 646312542 /nfs/dbraw/zinc/31/25/42/646312542.db2.gz UIEUHLKJLUJYRB-BARLUBHISA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C/C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929783561 646312531 /nfs/dbraw/zinc/31/25/31/646312531.db2.gz UIEUHLKJLUJYRB-BARLUBHISA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C/C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929783561 646312535 /nfs/dbraw/zinc/31/25/35/646312535.db2.gz UIEUHLKJLUJYRB-BARLUBHISA-N 2 1 240.391 1.994 20 0 BDADMP COC/C(C)=C/C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929783561 646312537 /nfs/dbraw/zinc/31/25/37/646312537.db2.gz UIEUHLKJLUJYRB-BARLUBHISA-N 2 1 240.391 1.994 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C(C)(C)C ZINC000925529187 646316093 /nfs/dbraw/zinc/31/60/93/646316093.db2.gz ZMOGEPFFVKCROD-WDEREUQCSA-N 2 1 228.380 1.778 20 0 BDADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925525652 646317909 /nfs/dbraw/zinc/31/79/09/646317909.db2.gz DKEXVMZYTRZCOD-RDBSUJKOSA-N 2 1 242.407 1.761 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000925539262 646323051 /nfs/dbraw/zinc/32/30/51/646323051.db2.gz AOQHOMTWYAEFGR-NXEZZACHSA-N 2 1 246.445 1.565 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925550452 646326077 /nfs/dbraw/zinc/32/60/77/646326077.db2.gz MPVBHHYCGLSLAZ-CHWSQXEVSA-N 2 1 239.407 1.591 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000925553770 646330607 /nfs/dbraw/zinc/33/06/07/646330607.db2.gz VPANMUBZGHTIRK-VHSXEESVSA-N 2 1 214.378 1.612 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCS1 ZINC000925553503 646330635 /nfs/dbraw/zinc/33/06/35/646330635.db2.gz SZEXOFPMRSLUET-GHMZBOCLSA-N 2 1 226.389 1.756 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925558575 646333808 /nfs/dbraw/zinc/33/38/08/646333808.db2.gz TVGDOLWSIMNKSX-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925558363 646334163 /nfs/dbraw/zinc/33/41/63/646334163.db2.gz QSLRPLSVAGHMTM-LBPRGKRZSA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925573825 646342078 /nfs/dbraw/zinc/34/20/78/646342078.db2.gz PXPXKNBLAQPMIG-QWHCGFSZSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@@H](O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925579589 646343478 /nfs/dbraw/zinc/34/34/78/646343478.db2.gz FSMUOTIQZBVEOF-VXGBXAGGSA-N 2 1 226.364 1.412 20 0 BDADMP CS[C@@H](C)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925587498 646348402 /nfs/dbraw/zinc/34/84/02/646348402.db2.gz NYWKOQJJUPGSOY-UWVGGRQHSA-N 2 1 214.378 1.612 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925611163 646359537 /nfs/dbraw/zinc/35/95/37/646359537.db2.gz AXVMAWWOJHQFLW-NEPJUHHUSA-N 2 1 226.364 1.268 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925610072 646361027 /nfs/dbraw/zinc/36/10/27/646361027.db2.gz CJBLATVGLUUURI-PWSUYJOCSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925614048 646362698 /nfs/dbraw/zinc/36/26/98/646362698.db2.gz WQKUCPUFJCTIDS-VXGBXAGGSA-N 2 1 226.364 1.412 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925617490 646364845 /nfs/dbraw/zinc/36/48/45/646364845.db2.gz RHYHHCWTZYWZSH-NSHDSACASA-N 2 1 226.364 1.412 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925618978 646367809 /nfs/dbraw/zinc/36/78/09/646367809.db2.gz YUNQUFLBTZASBX-SNVBAGLBSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925624664 646369674 /nfs/dbraw/zinc/36/96/74/646369674.db2.gz ZLGKSUOYSKKTSW-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925625799 646371648 /nfs/dbraw/zinc/37/16/48/646371648.db2.gz KYFPJSLGTKZHHY-LBPRGKRZSA-N 2 1 240.391 1.659 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCO1 ZINC000925627721 646373933 /nfs/dbraw/zinc/37/39/33/646373933.db2.gz ZPQUVYOBTFZDCM-YNEHKIRRSA-N 2 1 238.375 1.818 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000925640935 646382131 /nfs/dbraw/zinc/38/21/31/646382131.db2.gz VTNAZYWJNULYDT-AWEZNQCLSA-N 2 1 230.355 1.884 20 0 BDADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925642702 646384339 /nfs/dbraw/zinc/38/43/39/646384339.db2.gz IIPSYHKMYVMETR-IJLUTSLNSA-N 2 1 224.348 1.164 20 0 BDADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925641729 646384568 /nfs/dbraw/zinc/38/45/68/646384568.db2.gz AJXAQZWHAPNLTF-QJPTWQEYSA-N 2 1 238.375 1.410 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925669110 646400583 /nfs/dbraw/zinc/40/05/83/646400583.db2.gz OZRSJGHLGWTCGT-XQQFMLRXSA-N 2 1 239.407 1.575 20 0 BDADMP C[C@H]1NCCC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000925672217 646401994 /nfs/dbraw/zinc/40/19/94/646401994.db2.gz UPEAFNPYUMAERC-BPLDGKMQSA-N 2 1 248.370 1.320 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925672850 646403651 /nfs/dbraw/zinc/40/36/51/646403651.db2.gz KVYQJXMATIEIMX-RYUDHWBXSA-N 2 1 226.364 1.125 20 0 BDADMP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925675532 646405102 /nfs/dbraw/zinc/40/51/02/646405102.db2.gz JBIXGCOQLQVSBC-UWVGGRQHSA-N 2 1 200.326 1.142 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925686411 646413638 /nfs/dbraw/zinc/41/36/38/646413638.db2.gz SWJODAPKNAAYHX-QJPTWQEYSA-N 2 1 214.353 1.389 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925692038 646418003 /nfs/dbraw/zinc/41/80/03/646418003.db2.gz YRAKJEBDCWXDQA-WCFLWFBJSA-N 2 1 248.374 1.824 20 0 BDADMP [NH3+]CCC[C@@H]([NH2+]CCNC1CC1)c1ccccc1 ZINC000925691811 646418343 /nfs/dbraw/zinc/41/83/43/646418343.db2.gz KAFOGFHCFXHXBV-OAHLLOKOSA-N 2 1 247.386 1.808 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925695377 646420521 /nfs/dbraw/zinc/42/05/21/646420521.db2.gz QOROFNPVPZSPCT-AXFHLTTASA-N 2 1 212.337 1.284 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CC1 ZINC000925699447 646422800 /nfs/dbraw/zinc/42/28/00/646422800.db2.gz OWGVAQYZEJMTKG-DGAVXFQQSA-N 2 1 238.375 1.519 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000925701650 646425082 /nfs/dbraw/zinc/42/50/82/646425082.db2.gz CUDWJEVVEPKNCX-FVCCEPFGSA-N 3 1 225.380 1.057 20 0 BDADMP C(CN[C@H]1CC[NH2+]C12CCC2)C[C@H]1CCC[NH2+]1 ZINC000925710716 646434483 /nfs/dbraw/zinc/43/44/83/646434483.db2.gz QRBNPCFDQLESOH-OLZOCXBDSA-N 2 1 237.391 1.393 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716627 646440689 /nfs/dbraw/zinc/44/06/89/646440689.db2.gz BHGURRQVCOASRR-AGIUHOORSA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCC[C@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716627 646440693 /nfs/dbraw/zinc/44/06/93/646440693.db2.gz BHGURRQVCOASRR-AGIUHOORSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H](N[C@H]1CC[NH2+]C1(C)C)C1CC[NH2+]CC1 ZINC000925727050 646449238 /nfs/dbraw/zinc/44/92/38/646449238.db2.gz CBEPKXSQUYYCQR-PWSUYJOCSA-N 2 1 225.380 1.105 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726489 646451922 /nfs/dbraw/zinc/45/19/22/646451922.db2.gz IVSLMSVUIMXKMZ-RNJOBUHISA-N 2 1 237.391 1.247 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nccc32)C12CCC2 ZINC000925730544 646454124 /nfs/dbraw/zinc/45/41/24/646454124.db2.gz WNUXTXFHVWKDJN-CYZMBNFOSA-N 2 1 246.358 1.578 20 0 BDADMP C[C@@H]1C[C@@H](NCCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000925742695 646465102 /nfs/dbraw/zinc/46/51/02/646465102.db2.gz XBKTYOSRPLILON-GHMZBOCLSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CN1C1CC1 ZINC000925742695 646465107 /nfs/dbraw/zinc/46/51/07/646465107.db2.gz XBKTYOSRPLILON-GHMZBOCLSA-N 2 1 225.380 1.329 20 0 BDADMP CCC1([NH3+])CCN([C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000925755326 646465293 /nfs/dbraw/zinc/46/52/93/646465293.db2.gz DLRUIPLCCWXFNJ-RYUDHWBXSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]1C[C@H](NCCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000925742696 646465388 /nfs/dbraw/zinc/46/53/88/646465388.db2.gz XBKTYOSRPLILON-MNOVXSKESA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CN1C1CC1 ZINC000925742696 646465392 /nfs/dbraw/zinc/46/53/92/646465392.db2.gz XBKTYOSRPLILON-MNOVXSKESA-N 2 1 225.380 1.329 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000925761801 646466904 /nfs/dbraw/zinc/46/69/04/646466904.db2.gz ZITBFEKQLRUANH-GHMZBOCLSA-N 3 1 213.369 1.316 20 0 BDADMP C[C@@H](NCc1cc(N)cc[nH+]1)[C@H]1CCCO1 ZINC000925767427 646468559 /nfs/dbraw/zinc/46/85/59/646468559.db2.gz OQFUITJVXROFLZ-BXKDBHETSA-N 2 1 221.304 1.321 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cnccn1 ZINC000925778242 646474546 /nfs/dbraw/zinc/47/45/46/646474546.db2.gz JFLUDKGNQVUEES-AXFHLTTASA-N 2 1 220.320 1.397 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000925792118 646485630 /nfs/dbraw/zinc/48/56/30/646485630.db2.gz SZKIRBAVYZGXSH-VOAKCMCISA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000925792118 646485636 /nfs/dbraw/zinc/48/56/36/646485636.db2.gz SZKIRBAVYZGXSH-VOAKCMCISA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925795800 646487194 /nfs/dbraw/zinc/48/71/94/646487194.db2.gz QICPRYLDGITOED-JHJVBQTASA-N 2 1 237.391 1.106 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000087651991 711545408 /nfs/dbraw/zinc/54/54/08/711545408.db2.gz JPYSLYFGCJVCKK-UHFFFAOYSA-N 2 1 216.737 1.981 20 0 BDADMP CCC(CC)(CO)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396604387 711702686 /nfs/dbraw/zinc/70/26/86/711702686.db2.gz IDORMOVTWPUDCJ-NEPJUHHUSA-N 2 1 228.380 1.515 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000700273232 711989122 /nfs/dbraw/zinc/98/91/22/711989122.db2.gz KYXPWPSZBYFEAC-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000700273232 711989123 /nfs/dbraw/zinc/98/91/23/711989123.db2.gz KYXPWPSZBYFEAC-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCn1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cn1 ZINC000700564403 711995744 /nfs/dbraw/zinc/99/57/44/711995744.db2.gz QGPSCXCNGCISDZ-LLVKDONJSA-N 2 1 224.352 1.333 20 0 BDADMP C[N@H+]1CCCC[C@@H](CNCc2c[nH]cn2)C1 ZINC000700786886 712005162 /nfs/dbraw/zinc/00/51/62/712005162.db2.gz TXRUSXVCNUKXBT-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000703161175 712067220 /nfs/dbraw/zinc/06/72/20/712067220.db2.gz BQLNGAJZZHUPPT-QTAHKJALSA-N 2 1 212.337 1.223 20 0 BDADMP COC1CC(C[NH2+][C@@](C)(C[NH3+])C(C)C)C1 ZINC000703447406 712076153 /nfs/dbraw/zinc/07/61/53/712076153.db2.gz WWRLCHHCMPABSE-MCIGGMRASA-N 2 1 214.353 1.374 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000703844840 712090597 /nfs/dbraw/zinc/09/05/97/712090597.db2.gz DCRXZPULRQKHLJ-QTAHKJALSA-N 2 1 212.337 1.081 20 0 BDADMP CC(C)[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666304 712134826 /nfs/dbraw/zinc/13/48/26/712134826.db2.gz GOLJDRKHKJKUEB-MELADBBJSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666304 712134828 /nfs/dbraw/zinc/13/48/28/712134828.db2.gz GOLJDRKHKJKUEB-MELADBBJSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705666304 712134830 /nfs/dbraw/zinc/13/48/30/712134830.db2.gz GOLJDRKHKJKUEB-MELADBBJSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705666304 712134832 /nfs/dbraw/zinc/13/48/32/712134832.db2.gz GOLJDRKHKJKUEB-MELADBBJSA-N 2 1 240.391 1.277 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)C3CC3)C[C@]2(C)C1 ZINC000705664252 712134979 /nfs/dbraw/zinc/13/49/79/712134979.db2.gz YCMBUBVWHXPBQL-MELADBBJSA-N 2 1 238.375 1.031 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)C3CC3)C[C@]2(C)C1 ZINC000705664252 712134980 /nfs/dbraw/zinc/13/49/80/712134980.db2.gz YCMBUBVWHXPBQL-MELADBBJSA-N 2 1 238.375 1.031 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)C3CC3)C[C@]2(C)C1 ZINC000705664252 712134983 /nfs/dbraw/zinc/13/49/83/712134983.db2.gz YCMBUBVWHXPBQL-MELADBBJSA-N 2 1 238.375 1.031 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)C3CC3)C[C@]2(C)C1 ZINC000705664252 712134985 /nfs/dbraw/zinc/13/49/85/712134985.db2.gz YCMBUBVWHXPBQL-MELADBBJSA-N 2 1 238.375 1.031 20 0 BDADMP C[C@@H](O)CCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705667212 712135053 /nfs/dbraw/zinc/13/50/53/712135053.db2.gz IKKSPOONLWTSAF-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](O)CCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705667212 712135055 /nfs/dbraw/zinc/13/50/55/712135055.db2.gz IKKSPOONLWTSAF-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](O)CCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705667212 712135056 /nfs/dbraw/zinc/13/50/56/712135056.db2.gz IKKSPOONLWTSAF-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](O)CCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705667212 712135057 /nfs/dbraw/zinc/13/50/57/712135057.db2.gz IKKSPOONLWTSAF-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP CSC1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000706896540 712159717 /nfs/dbraw/zinc/15/97/17/712159717.db2.gz AOBFNKZOHGZHGT-DMOGRIERSA-N 2 1 228.405 1.953 20 0 BDADMP CSC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000706896540 712159718 /nfs/dbraw/zinc/15/97/18/712159718.db2.gz AOBFNKZOHGZHGT-DMOGRIERSA-N 2 1 228.405 1.953 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000707522775 712171836 /nfs/dbraw/zinc/17/18/36/712171836.db2.gz JDJHQWKCBLLHKC-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP CC1(C)CO[C@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000708322245 712186743 /nfs/dbraw/zinc/18/67/43/712186743.db2.gz DVYOIGXRSWTMEX-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000708322245 712186745 /nfs/dbraw/zinc/18/67/45/712186745.db2.gz DVYOIGXRSWTMEX-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP FC[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711440268 712300887 /nfs/dbraw/zinc/30/08/87/712300887.db2.gz DBOCEWLKUXCOCZ-VXGBXAGGSA-N 2 1 242.338 1.189 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOC2CC2)[C@H]1CC[NH3+] ZINC000711776982 712328616 /nfs/dbraw/zinc/32/86/16/712328616.db2.gz PYLSVRUHZMWSLJ-YPMHNXCESA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712533994 712442199 /nfs/dbraw/zinc/44/21/99/712442199.db2.gz RSAIQCDVUDJHME-OLZOCXBDSA-N 2 1 238.375 1.759 20 0 BDADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)OC1 ZINC000713592943 712466202 /nfs/dbraw/zinc/46/62/02/712466202.db2.gz OQDOYIKBVWPZAQ-RYUDHWBXSA-N 2 1 226.364 1.472 20 0 BDADMP C[N@@H+](C[C@H]1CCC(C)(C)CO1)C1CC([NH3+])C1 ZINC000713587494 712466265 /nfs/dbraw/zinc/46/62/65/712466265.db2.gz QWDSSZWBADOREX-HTAVTVPLSA-N 2 1 226.364 1.613 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](COC)C2)CC1 ZINC000714438535 712487743 /nfs/dbraw/zinc/48/77/43/712487743.db2.gz SUOQHSBKJZKFKE-BJHJDKERSA-N 2 1 226.364 1.485 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000714995656 712503335 /nfs/dbraw/zinc/50/33/35/712503335.db2.gz RHUJOMSOZLRKMA-KGLIPLIRSA-N 2 1 240.391 1.613 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000714995656 712503336 /nfs/dbraw/zinc/50/33/36/712503336.db2.gz RHUJOMSOZLRKMA-KGLIPLIRSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1CC([NH3+])C1 ZINC000715390820 712522057 /nfs/dbraw/zinc/52/20/57/712522057.db2.gz VFDXOADWKNEAAB-IFWUJCSASA-N 2 1 224.348 1.366 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1CC([NH3+])C1 ZINC000715391044 712522069 /nfs/dbraw/zinc/52/20/69/712522069.db2.gz VFDXOADWKNEAAB-TUUUFIMRSA-N 2 1 224.348 1.366 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715493009 712523625 /nfs/dbraw/zinc/52/36/25/712523625.db2.gz BIMNHHNVNVWNSL-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715493009 712523628 /nfs/dbraw/zinc/52/36/28/712523628.db2.gz BIMNHHNVNVWNSL-STQMWFEESA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]([NH2+]CCC1(C)OCCO1)[C@H]1CCCC[NH2+]1 ZINC000716002390 712552284 /nfs/dbraw/zinc/55/22/84/712552284.db2.gz ZCVITBJFUHWVNH-NWDGAFQWSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000719780184 712824659 /nfs/dbraw/zinc/82/46/59/712824659.db2.gz UUPLATLBOLOFDM-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000719778907 712824750 /nfs/dbraw/zinc/82/47/50/712824750.db2.gz MPAZBRAZSLCYLH-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000380392061 712900438 /nfs/dbraw/zinc/90/04/38/712900438.db2.gz CQCJBQUORRXEPJ-RWMBFGLXSA-N 2 1 238.375 1.031 20 0 BDADMP C[C@H]1OCC[N@@H+](CCCCCC[NH3+])[C@H]1C ZINC000380422781 712900645 /nfs/dbraw/zinc/90/06/45/712900645.db2.gz DBSHMNQOHITQCW-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@]2(C)CO)CC1 ZINC000723039424 710723470 /nfs/dbraw/zinc/72/34/70/710723470.db2.gz RDRGDBMZKQSAIV-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723702196 710731384 /nfs/dbraw/zinc/73/13/84/710731384.db2.gz ZCQYUGKJTHSMKU-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000399117508 710913596 /nfs/dbraw/zinc/91/35/96/710913596.db2.gz NFMCSEHGNDHODF-QNWHQSFQSA-N 2 1 210.365 1.962 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000133147895 710968038 /nfs/dbraw/zinc/96/80/38/710968038.db2.gz BCVZIVBKUHNTMO-UHFFFAOYSA-N 2 1 242.269 1.867 20 0 BDADMP C[C@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382954675 710976686 /nfs/dbraw/zinc/97/66/86/710976686.db2.gz ZJXWDNIKPCTPRC-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382954675 710976689 /nfs/dbraw/zinc/97/66/89/710976689.db2.gz ZJXWDNIKPCTPRC-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384000592 710987776 /nfs/dbraw/zinc/98/77/76/710987776.db2.gz KVGYYNXJEFRDNU-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384000592 710987781 /nfs/dbraw/zinc/98/77/81/710987781.db2.gz KVGYYNXJEFRDNU-BFHYXJOUSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385616552 711016276 /nfs/dbraw/zinc/01/62/76/711016276.db2.gz PABPOWOWZZRCBY-AWOLGQDMSA-N 2 1 246.354 1.797 20 0 BDADMP COCC[C@@H](C)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000388013118 711049717 /nfs/dbraw/zinc/04/97/17/711049717.db2.gz DARGEBBHELXNOD-ZJUUUORDSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[C@@H](C)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388013118 711049721 /nfs/dbraw/zinc/04/97/21/711049721.db2.gz DARGEBBHELXNOD-ZJUUUORDSA-N 2 1 200.326 1.081 20 0 BDADMP COCC[C@@H](C)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388013118 711049722 /nfs/dbraw/zinc/04/97/22/711049722.db2.gz DARGEBBHELXNOD-ZJUUUORDSA-N 2 1 200.326 1.081 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000389318038 711076190 /nfs/dbraw/zinc/07/61/90/711076190.db2.gz FYUIADDGOZUIBG-NQBHXWOUSA-N 2 1 208.349 1.859 20 0 BDADMP CSCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000390641138 711129908 /nfs/dbraw/zinc/12/99/08/711129908.db2.gz MXGDQUMHYPHFBP-CMPLNLGQSA-N 2 1 246.420 1.173 20 0 BDADMP CSCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390641138 711129911 /nfs/dbraw/zinc/12/99/11/711129911.db2.gz MXGDQUMHYPHFBP-CMPLNLGQSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCCCCCO)C1CC1 ZINC000393771300 711173973 /nfs/dbraw/zinc/17/39/73/711173973.db2.gz HGJNKCQZUAISMA-LBPRGKRZSA-N 2 1 214.353 1.256 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000395334880 711207761 /nfs/dbraw/zinc/20/77/61/711207761.db2.gz UJDREZLZULZGMT-ZDUSSCGKSA-N 2 1 236.363 1.171 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000398144692 711403286 /nfs/dbraw/zinc/40/32/86/711403286.db2.gz XGAVMIMGVPEBHL-STQMWFEESA-N 2 1 226.364 1.533 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000398172664 711404637 /nfs/dbraw/zinc/40/46/37/711404637.db2.gz IRBRMMHHIBKGIT-SECBINFHSA-N 2 1 240.269 1.454 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000398172664 711404641 /nfs/dbraw/zinc/40/46/41/711404641.db2.gz IRBRMMHHIBKGIT-SECBINFHSA-N 2 1 240.269 1.454 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000398879129 711416378 /nfs/dbraw/zinc/41/63/78/711416378.db2.gz GSPFETAAMVEQQJ-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399283269 711426105 /nfs/dbraw/zinc/42/61/05/711426105.db2.gz ZEFAHIMPQFLIQW-DTWKUNHWSA-N 2 1 237.174 1.851 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])NC1CCCC1)C1CC1 ZINC000066246557 710639018 /nfs/dbraw/zinc/63/90/18/710639018.db2.gz FXXIRRWCCGNHHX-UHFFFAOYSA-N 2 1 238.379 1.527 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C(C)C ZINC000721922823 710692895 /nfs/dbraw/zinc/69/28/95/710692895.db2.gz WUUJRIBXPYSOCC-STQMWFEESA-N 2 1 228.380 1.576 20 0 BDADMP CC1(C)CC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000395180406 711205047 /nfs/dbraw/zinc/20/50/47/711205047.db2.gz MYRWEPOJSIRWBF-STQMWFEESA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)CC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000395180406 711205051 /nfs/dbraw/zinc/20/50/51/711205051.db2.gz MYRWEPOJSIRWBF-STQMWFEESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396691872 711365356 /nfs/dbraw/zinc/36/53/56/711365356.db2.gz LGQQHAGRFXYFRV-SDDRHHMPSA-N 2 1 214.353 1.125 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396719567 711367392 /nfs/dbraw/zinc/36/73/92/711367392.db2.gz SNQFEDPXCXLXAJ-RWMBFGLXSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000723117731 711504976 /nfs/dbraw/zinc/50/49/76/711504976.db2.gz JSGONVRDLQKOAH-MROQNXINSA-N 2 1 208.349 1.716 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000723117731 711504978 /nfs/dbraw/zinc/50/49/78/711504978.db2.gz JSGONVRDLQKOAH-MROQNXINSA-N 2 1 208.349 1.716 20 0 BDADMP Cc1nc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])o1 ZINC000723633442 711527888 /nfs/dbraw/zinc/52/78/88/711527888.db2.gz KKYVIUFECKMTJW-UHFFFAOYSA-N 2 1 225.336 1.708 20 0 BDADMP Cc1nc(C)c(C[N@H+](C)CC(C)(C)C[NH3+])o1 ZINC000723633442 711527891 /nfs/dbraw/zinc/52/78/91/711527891.db2.gz KKYVIUFECKMTJW-UHFFFAOYSA-N 2 1 225.336 1.708 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000723633832 711527950 /nfs/dbraw/zinc/52/79/50/711527950.db2.gz MGRLKPFBLVXKIA-CABZTGNLSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000723633832 711527952 /nfs/dbraw/zinc/52/79/52/711527952.db2.gz MGRLKPFBLVXKIA-CABZTGNLSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)oc1C ZINC000723701528 711534810 /nfs/dbraw/zinc/53/48/10/711534810.db2.gz KITIJRJJQPWKAG-NSHDSACASA-N 2 1 223.320 1.462 20 0 BDADMP CCc1cnc(C[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723708757 711535237 /nfs/dbraw/zinc/53/52/37/711535237.db2.gz HYMVWGOZLCXORI-JTQLQIEISA-N 2 1 223.320 1.408 20 0 BDADMP CC(C)c1noc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723713433 711535524 /nfs/dbraw/zinc/53/55/24/711535524.db2.gz PRGWWSMJRFDWON-JTQLQIEISA-N 2 1 238.335 1.364 20 0 BDADMP CC(C)c1noc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723713433 711535526 /nfs/dbraw/zinc/53/55/26/711535526.db2.gz PRGWWSMJRFDWON-JTQLQIEISA-N 2 1 238.335 1.364 20 0 BDADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000723782529 711537270 /nfs/dbraw/zinc/53/72/70/711537270.db2.gz LVFSUFSTJFENHK-JHJVBQTASA-N 2 1 210.365 1.964 20 0 BDADMP CCSCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894452 711544330 /nfs/dbraw/zinc/54/43/30/711544330.db2.gz KYQUKONCTWVALW-GHMZBOCLSA-N 2 1 216.394 1.656 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723902671 711544638 /nfs/dbraw/zinc/54/46/38/711544638.db2.gz YDCUOVLGKWVQGT-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000723910640 711545171 /nfs/dbraw/zinc/54/51/71/711545171.db2.gz XLUAIQXYYMPLTC-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000724154698 711565107 /nfs/dbraw/zinc/56/51/07/711565107.db2.gz YRLBVXXLCLSXGT-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CCCCC1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000934203629 711575302 /nfs/dbraw/zinc/57/53/02/711575302.db2.gz TWRYJIUUYULTOO-ZDUSSCGKSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000309060910 711586315 /nfs/dbraw/zinc/58/63/15/711586315.db2.gz VTQMYTOVBPTCAX-KXUCPTDWSA-N 2 1 220.307 1.947 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000309060910 711586317 /nfs/dbraw/zinc/58/63/17/711586317.db2.gz VTQMYTOVBPTCAX-KXUCPTDWSA-N 2 1 220.307 1.947 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000724926552 711629407 /nfs/dbraw/zinc/62/94/07/711629407.db2.gz RQODRJAJFNZKHV-CHWSQXEVSA-N 2 1 244.379 1.097 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000236171370 711672607 /nfs/dbraw/zinc/67/26/07/711672607.db2.gz VHURJCJISBHZCH-GFCCVEGCSA-N 2 1 214.353 1.210 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000396581864 711702426 /nfs/dbraw/zinc/70/24/26/711702426.db2.gz FSBUZHJHWUDBOL-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP CCn1nccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000252982761 711720401 /nfs/dbraw/zinc/72/04/01/711720401.db2.gz XWQTVBQEDAHPQD-RYUDHWBXSA-N 2 1 236.363 1.462 20 0 BDADMP CCn1nccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000252982761 711720402 /nfs/dbraw/zinc/72/04/02/711720402.db2.gz XWQTVBQEDAHPQD-RYUDHWBXSA-N 2 1 236.363 1.462 20 0 BDADMP COC[C@H](C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C(C)C ZINC000721768961 711768737 /nfs/dbraw/zinc/76/87/37/711768737.db2.gz NPOHSLXEKLIXDU-MELADBBJSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C(C)C ZINC000721768961 711768738 /nfs/dbraw/zinc/76/87/38/711768738.db2.gz NPOHSLXEKLIXDU-MELADBBJSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)C ZINC000721784277 711769707 /nfs/dbraw/zinc/76/97/07/711769707.db2.gz XTZJYRCDXZWAFN-MJBXVCDLSA-N 2 1 240.391 1.446 20 0 BDADMP CC(C)[C@H]([NH3+])c1noc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000721349928 711803047 /nfs/dbraw/zinc/80/30/47/711803047.db2.gz IPTKGSBPOAANKM-BDAKNGLRSA-N 2 1 224.308 1.145 20 0 BDADMP Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000229067864 711837278 /nfs/dbraw/zinc/83/72/78/711837278.db2.gz QVGSNOOTPYDJEA-JQWIXIFHSA-N 2 1 236.363 1.145 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925473660 711878716 /nfs/dbraw/zinc/87/87/16/711878716.db2.gz NWXRYPJMMRHPPA-OLZOCXBDSA-N 3 1 248.374 1.441 20 0 BDADMP Cc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cn1 ZINC000700606290 712001239 /nfs/dbraw/zinc/00/12/39/712001239.db2.gz XLXXBJNGYGUTAT-GFCCVEGCSA-N 2 1 221.348 1.820 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cncnc2)C1 ZINC000700814075 712006291 /nfs/dbraw/zinc/00/62/91/712006291.db2.gz UWBZOMALGKNSQL-LBPRGKRZSA-N 2 1 234.347 1.298 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cncnc2)C1 ZINC000700814075 712006293 /nfs/dbraw/zinc/00/62/93/712006293.db2.gz UWBZOMALGKNSQL-LBPRGKRZSA-N 2 1 234.347 1.298 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](CC)CO1 ZINC000703616585 712081260 /nfs/dbraw/zinc/08/12/60/712081260.db2.gz OIOSHUSQJGFCMG-RNJOBUHISA-N 2 1 226.364 1.613 20 0 BDADMP COC1CC(C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000703822899 712090068 /nfs/dbraw/zinc/09/00/68/712090068.db2.gz FFRRFDJMFKDEFT-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000703855592 712090960 /nfs/dbraw/zinc/09/09/60/712090960.db2.gz VQDLSSMZUJPJGR-IGJPJIBNSA-N 2 1 226.364 1.328 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000707541192 712171618 /nfs/dbraw/zinc/17/16/18/712171618.db2.gz SXUPTQORRGERFK-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2CCO)CC1 ZINC000709409085 712221391 /nfs/dbraw/zinc/22/13/91/712221391.db2.gz ZNTZBVCBVFTPJQ-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709791255 712227200 /nfs/dbraw/zinc/22/72/00/712227200.db2.gz AHEGJGOCWWIQKH-DJLDLDEBSA-N 2 1 224.270 1.854 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCCCO1)C2 ZINC000709825571 712228853 /nfs/dbraw/zinc/22/88/53/712228853.db2.gz KCMINBIOHQMMOV-QNWHQSFQSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@H]1C[N@@H+](CCc2ccns2)CC[C@H]1[NH3+] ZINC000709965332 712235275 /nfs/dbraw/zinc/23/52/75/712235275.db2.gz BJVXZJOTBVVIPW-GXSJLCMTSA-N 2 1 225.361 1.355 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+](C)CCCCCC[NH3+] ZINC000710714768 712255512 /nfs/dbraw/zinc/25/55/12/712255512.db2.gz USLRJRZEDPZUPK-LBPRGKRZSA-N 2 1 236.363 1.989 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCC[NH3+])CCN1C ZINC000710725074 712255685 /nfs/dbraw/zinc/25/56/85/712255685.db2.gz SGBRWKDEGVPIJI-KBPBESRZSA-N 2 1 241.423 1.920 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCCCC[NH3+])CC[N@@H+]1C ZINC000710725074 712255686 /nfs/dbraw/zinc/25/56/86/712255686.db2.gz SGBRWKDEGVPIJI-KBPBESRZSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCCCC[NH3+])CC[N@H+]1C ZINC000710725074 712255687 /nfs/dbraw/zinc/25/56/87/712255687.db2.gz SGBRWKDEGVPIJI-KBPBESRZSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCC[NH3+])CC[NH+]1C ZINC000710725074 712255689 /nfs/dbraw/zinc/25/56/89/712255689.db2.gz SGBRWKDEGVPIJI-KBPBESRZSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCC[NH3+])CC[NH+]1C ZINC000710725074 712255690 /nfs/dbraw/zinc/25/56/90/712255690.db2.gz SGBRWKDEGVPIJI-KBPBESRZSA-N 3 1 241.423 1.920 20 0 BDADMP FC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000711440770 712301041 /nfs/dbraw/zinc/30/10/41/712301041.db2.gz FSIJNIIUDSPBIY-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CC[C@H]1[NH3+] ZINC000711473216 712303462 /nfs/dbraw/zinc/30/34/62/712303462.db2.gz XZQBUPVAVADESA-JHJVBQTASA-N 2 1 238.375 1.757 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](CF)C1 ZINC000711458848 712304648 /nfs/dbraw/zinc/30/46/48/712304648.db2.gz YZDSOALUVWZOMZ-MNOVXSKESA-N 2 1 202.317 1.651 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](CF)C1 ZINC000711458848 712304646 /nfs/dbraw/zinc/30/46/46/712304646.db2.gz YZDSOALUVWZOMZ-MNOVXSKESA-N 2 1 202.317 1.651 20 0 BDADMP C[C@H]1CC[N@@H+](CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711754304 712324788 /nfs/dbraw/zinc/32/47/88/712324788.db2.gz UDRAYRKKLQBKEE-QWRGUYRKSA-N 2 1 212.337 1.082 20 0 BDADMP C(C[NH+]1CCC([NH2+]CC2CC2)CC1)OC1CC1 ZINC000711764332 712327490 /nfs/dbraw/zinc/32/74/90/712327490.db2.gz CWHOZAWYQCBLEM-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000923479704 712334282 /nfs/dbraw/zinc/33/42/82/712334282.db2.gz BKGVCRMTESTPLG-GFCCVEGCSA-N 2 1 246.354 1.888 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000712555627 712445058 /nfs/dbraw/zinc/44/50/58/712445058.db2.gz WYYIDXXHOAEZSP-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]c(C)c1 ZINC000712566162 712446249 /nfs/dbraw/zinc/44/62/49/712446249.db2.gz VEIHGBKMXRKHLC-LBPRGKRZSA-N 2 1 205.305 1.318 20 0 BDADMP CC1([NH3+])CC[NH+](CCCOC(F)(F)F)CC1 ZINC000713428856 712459872 /nfs/dbraw/zinc/45/98/72/712459872.db2.gz WPWWAQVVRUWTOT-UHFFFAOYSA-N 2 1 240.269 1.726 20 0 BDADMP Cc1nocc1C[N@@H+](C)CCCCCC[NH3+] ZINC000713485251 712462090 /nfs/dbraw/zinc/46/20/90/712462090.db2.gz GGMNYQAGXIHZJV-UHFFFAOYSA-N 2 1 225.336 1.934 20 0 BDADMP CCn1cc(C[N@H+](C)CCCCCC[NH3+])nn1 ZINC000714446384 712489518 /nfs/dbraw/zinc/48/95/18/712489518.db2.gz LMWHPQNNZKZBKI-UHFFFAOYSA-N 2 1 239.367 1.249 20 0 BDADMP CCn1cc(C[N@@H+](C)CCCCCC[NH3+])nn1 ZINC000714446384 712489519 /nfs/dbraw/zinc/48/95/19/712489519.db2.gz LMWHPQNNZKZBKI-UHFFFAOYSA-N 2 1 239.367 1.249 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000714932526 712500305 /nfs/dbraw/zinc/50/03/05/712500305.db2.gz PUBKBDHRNHQHEX-RUZUBIRVSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000714932526 712500306 /nfs/dbraw/zinc/50/03/06/712500306.db2.gz PUBKBDHRNHQHEX-RUZUBIRVSA-N 2 1 238.375 1.471 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000715463690 712519887 /nfs/dbraw/zinc/51/98/87/712519887.db2.gz XVRMHXMXZGLLJW-MXWKQRLJSA-N 2 1 230.302 1.573 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)C[C@H]21 ZINC000715472903 712520160 /nfs/dbraw/zinc/52/01/60/712520160.db2.gz KTQGPALDAAAYOK-TXEJJXNPSA-N 2 1 244.329 1.963 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC000715468587 712520430 /nfs/dbraw/zinc/52/04/30/712520430.db2.gz CKVBMNHESIDQNL-CQGIUEJESA-N 2 1 242.313 1.714 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715493419 712523587 /nfs/dbraw/zinc/52/35/87/712523587.db2.gz BYFRHEVXVUFTFA-MGPQQGTHSA-N 2 1 238.375 1.615 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715513046 712524964 /nfs/dbraw/zinc/52/49/64/712524964.db2.gz YAWBFWRQYZKYGQ-UBHSHLNASA-N 2 1 238.375 1.485 20 0 BDADMP Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n[nH]1 ZINC000716456539 712562279 /nfs/dbraw/zinc/56/22/79/712562279.db2.gz OFLVEXOKUVGECW-VGPLMAKISA-N 2 1 234.347 1.433 20 0 BDADMP Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n[nH]1 ZINC000716456539 712562280 /nfs/dbraw/zinc/56/22/80/712562280.db2.gz OFLVEXOKUVGECW-VGPLMAKISA-N 2 1 234.347 1.433 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717647072 712663231 /nfs/dbraw/zinc/66/32/31/712663231.db2.gz BOWAAIKNICMSHS-WDEREUQCSA-N 2 1 228.380 1.765 20 0 BDADMP Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717906046 712733261 /nfs/dbraw/zinc/73/32/61/712733261.db2.gz SWSUMXJTEWNXOV-GRYCIOLGSA-N 2 1 249.362 1.079 20 0 BDADMP CC[C@H]([NH2+]CC[NH3+])c1ccc(OC)cc1 ZINC000037712500 712744784 /nfs/dbraw/zinc/74/47/84/712744784.db2.gz PDDXQKMSASQSIK-LBPRGKRZSA-N 2 1 208.305 1.695 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])c1ccc2c(c1)CCC2 ZINC000037712685 712745032 /nfs/dbraw/zinc/74/50/32/712745032.db2.gz NPQFXQVAJMMAFX-SNVBAGLBSA-N 2 1 204.317 1.785 20 0 BDADMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(OC)cc1 ZINC000037712501 712745114 /nfs/dbraw/zinc/74/51/14/712745114.db2.gz PDDXQKMSASQSIK-GFCCVEGCSA-N 2 1 208.305 1.695 20 0 BDADMP CC(F)(F)CCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000718610926 712772846 /nfs/dbraw/zinc/77/28/46/712772846.db2.gz JJLXVMMACHNYIV-JTQLQIEISA-N 2 1 236.306 1.471 20 0 BDADMP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000719571681 712811016 /nfs/dbraw/zinc/81/10/16/712811016.db2.gz SOUKRGNLCHKUAB-PWSUYJOCSA-N 2 1 205.305 1.316 20 0 BDADMP C[C@@H]1[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1C ZINC000719620756 712817458 /nfs/dbraw/zinc/81/74/58/712817458.db2.gz WYPRPAIJSMSWNY-BXUZGUMPSA-N 2 1 237.391 1.295 20 0 BDADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000719649985 712820831 /nfs/dbraw/zinc/82/08/31/712820831.db2.gz WKSJGIMEMSQEHL-JSGCOSHPSA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C)[C@H]2C)CC1 ZINC000719649985 712820832 /nfs/dbraw/zinc/82/08/32/712820832.db2.gz WKSJGIMEMSQEHL-JSGCOSHPSA-N 2 1 239.407 1.541 20 0 BDADMP CCc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC000719772592 712823818 /nfs/dbraw/zinc/82/38/18/712823818.db2.gz BGGUYBUNYGGJHR-MFKMUULPSA-N 2 1 219.332 1.570 20 0 BDADMP Cc1conc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000720374667 712836699 /nfs/dbraw/zinc/83/66/99/712836699.db2.gz NSDCRNPIWNSBDI-SRVKXCTJSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1conc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000720374667 712836701 /nfs/dbraw/zinc/83/67/01/712836701.db2.gz NSDCRNPIWNSBDI-SRVKXCTJSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)nn1 ZINC000720534635 712849701 /nfs/dbraw/zinc/84/97/01/712849701.db2.gz XWFSSWXYRFVUTF-GFCCVEGCSA-N 2 1 234.347 1.264 20 0 BDADMP C[C@@H](c1cccnc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720644186 712860639 /nfs/dbraw/zinc/86/06/39/712860639.db2.gz KSEFXNNHKXQJKS-FPMFFAJLSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720644186 712860640 /nfs/dbraw/zinc/86/06/40/712860640.db2.gz KSEFXNNHKXQJKS-FPMFFAJLSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720799388 712866510 /nfs/dbraw/zinc/86/65/10/712866510.db2.gz ZRDPBNKBVPGXMY-DOLQZWNJSA-N 2 1 236.281 1.711 20 0 BDADMP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000720866840 712872298 /nfs/dbraw/zinc/87/22/98/712872298.db2.gz DVDTVBRUSAZUDS-DGTMBMJNSA-N 2 1 236.359 1.095 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720875879 712872643 /nfs/dbraw/zinc/87/26/43/712872643.db2.gz XXVYBZYOUDATJM-XHJNMGKDSA-N 2 1 238.375 1.756 20 0 BDADMP CCCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720873090 712873125 /nfs/dbraw/zinc/87/31/25/712873125.db2.gz SBKBVDUDPAYPFN-BDAKNGLRSA-N 2 1 224.270 1.856 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCC[NH2+]C1CC1 ZINC000720902974 712875753 /nfs/dbraw/zinc/87/57/53/712875753.db2.gz WCZKQGTYLOIHJB-ZIAGYGMSSA-N 2 1 237.391 1.297 20 0 BDADMP CCCc1[nH+]ccn1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721030899 712887880 /nfs/dbraw/zinc/88/78/80/712887880.db2.gz ZOQOLBZDSCORGI-MNOVXSKESA-N 2 1 207.321 1.691 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1(CC)CC ZINC000721456824 958168725 /nfs/dbraw/zinc/16/87/25/958168725.db2.gz OBKXQKKZCQXYJU-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1(CC)CC ZINC000721456824 958168734 /nfs/dbraw/zinc/16/87/34/958168734.db2.gz OBKXQKKZCQXYJU-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC1(CC)CC ZINC000721456824 958168742 /nfs/dbraw/zinc/16/87/42/958168742.db2.gz OBKXQKKZCQXYJU-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC1(CC)CC ZINC000721456824 958168750 /nfs/dbraw/zinc/16/87/50/958168750.db2.gz OBKXQKKZCQXYJU-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)C[NH2+]1 ZINC000399064670 958498428 /nfs/dbraw/zinc/49/84/28/958498428.db2.gz BBPHQTBGUNTZJG-KKOKHZNYSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC2CCOCC2)C[NH2+]1 ZINC000399084985 958507434 /nfs/dbraw/zinc/50/74/34/958507434.db2.gz UCLOWASFDOYSHJ-YPMHNXCESA-N 2 1 226.364 1.533 20 0 BDADMP [NH3+]Cc1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001218235274 959906428 /nfs/dbraw/zinc/90/64/28/959906428.db2.gz AQTWBKFAYMXQHT-SNVBAGLBSA-N 2 1 228.242 1.131 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000697562369 964321503 /nfs/dbraw/zinc/32/15/03/964321503.db2.gz SPEFXJSNRZBWRG-VWYCJHECSA-N 2 1 232.318 1.962 20 0 BDADMP CC[N@@H+](CCOC)C1CCC([NH+](C)C)CC1 ZINC001168315769 964422822 /nfs/dbraw/zinc/42/28/22/964422822.db2.gz OBIHSYMSFWPGMF-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001168315032 964424770 /nfs/dbraw/zinc/42/47/70/964424770.db2.gz PPMUTMKSWSRNNC-FIYWTHMPSA-N 2 1 244.354 1.264 20 0 BDADMP CC[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000699534792 965949334 /nfs/dbraw/zinc/94/93/34/965949334.db2.gz SOSLJDRUAURRIT-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1c2cccn2CC[N@@H+]1CCCC[NH3+] ZINC001235962664 966186040 /nfs/dbraw/zinc/18/60/40/966186040.db2.gz OVXQOPAJQZPWPH-NSHDSACASA-N 2 1 207.321 1.604 20 0 BDADMP CCCC[N@@H+](CCO)CC1CC[NH+](C)CC1 ZINC000691347770 967254326 /nfs/dbraw/zinc/25/43/26/967254326.db2.gz IFCSBAUEWGHXKN-UHFFFAOYSA-N 2 1 228.380 1.423 20 0 BDADMP C[C@H]1CCCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001205663567 967749751 /nfs/dbraw/zinc/74/97/51/967749751.db2.gz JIOXSLLMWIDZTJ-RYUDHWBXSA-N 2 1 226.364 1.833 20 0 BDADMP C[C@H]1CCCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001205663567 967749760 /nfs/dbraw/zinc/74/97/60/967749760.db2.gz JIOXSLLMWIDZTJ-RYUDHWBXSA-N 2 1 226.364 1.833 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCCCO)CCC1(F)F ZINC001205734713 967810126 /nfs/dbraw/zinc/81/01/26/967810126.db2.gz GXUMOXLAEUVUEN-JTQLQIEISA-N 2 1 236.306 1.065 20 0 BDADMP CCCC[C@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001252087515 968508546 /nfs/dbraw/zinc/50/85/46/968508546.db2.gz CZEOKNOBCBZGFG-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP CCCC[C@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001252087515 968508550 /nfs/dbraw/zinc/50/85/50/968508550.db2.gz CZEOKNOBCBZGFG-AWEZNQCLSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001207391957 968745721 /nfs/dbraw/zinc/74/57/21/968745721.db2.gz RPKRTYKEKUNYIB-STQMWFEESA-N 2 1 244.354 1.123 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001208593593 969151016 /nfs/dbraw/zinc/15/10/16/969151016.db2.gz XLYVICCCAXEHBD-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC001208605517 969157522 /nfs/dbraw/zinc/15/75/22/969157522.db2.gz BLOVRFJADHOMSB-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC001208605517 969157532 /nfs/dbraw/zinc/15/75/32/969157532.db2.gz BLOVRFJADHOMSB-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC001208605517 969157534 /nfs/dbraw/zinc/15/75/34/969157534.db2.gz BLOVRFJADHOMSB-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC001208605517 969157538 /nfs/dbraw/zinc/15/75/38/969157538.db2.gz BLOVRFJADHOMSB-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(F)CC2)C1 ZINC001208604498 969155659 /nfs/dbraw/zinc/15/56/59/969155659.db2.gz PIDXYPMOBBRYKF-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP CCC[N@H+](CCOC)C[C@H]1CCC[NH+](C)C1 ZINC001208603317 969155836 /nfs/dbraw/zinc/15/58/36/969155836.db2.gz BACDGWNGISFZLS-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[N@@H+](CCOC)C[C@H]1CCC[NH+](C)C1 ZINC001208603317 969155841 /nfs/dbraw/zinc/15/58/41/969155841.db2.gz BACDGWNGISFZLS-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[NH+](CCOC)C[C@H]1CCC[N@H+](C)C1 ZINC001208603317 969155845 /nfs/dbraw/zinc/15/58/45/969155845.db2.gz BACDGWNGISFZLS-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCC[NH+](CCOC)C[C@H]1CCC[N@@H+](C)C1 ZINC001208603317 969155853 /nfs/dbraw/zinc/15/58/53/969155853.db2.gz BACDGWNGISFZLS-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CCC[C@@H]1O ZINC001208608695 969164065 /nfs/dbraw/zinc/16/40/65/969164065.db2.gz VSDCXUYWWTWFSS-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CCC[C@@H]1O ZINC001208608695 969164073 /nfs/dbraw/zinc/16/40/73/969164073.db2.gz VSDCXUYWWTWFSS-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CCC[C@@H]1O ZINC001208608695 969164078 /nfs/dbraw/zinc/16/40/78/969164078.db2.gz VSDCXUYWWTWFSS-RDBSUJKOSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC3CC(C3)C2)C1 ZINC001208616727 969168988 /nfs/dbraw/zinc/16/89/88/969168988.db2.gz LIWPDZQKQZYSQB-PNESKVBLSA-N 2 1 208.349 1.670 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)CCO)C2 ZINC001169090632 969408239 /nfs/dbraw/zinc/40/82/39/969408239.db2.gz JVZVXEGJBSMFFP-CNDDSTCGSA-N 2 1 226.364 1.362 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@]23CCCOC3)CC1 ZINC001169242107 969528384 /nfs/dbraw/zinc/52/83/84/969528384.db2.gz WAUAZOFDHVAPFV-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC001169246625 969535233 /nfs/dbraw/zinc/53/52/33/969535233.db2.gz SZEYPCUPHOMEJV-MQMHXKEQSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC001169246625 969535237 /nfs/dbraw/zinc/53/52/37/969535237.db2.gz SZEYPCUPHOMEJV-MQMHXKEQSA-N 2 1 240.391 1.706 20 0 BDADMP CCN1CCC([N@H+]2CC[C@@H](C)[C@H](O)CC2)CC1 ZINC001169246065 969536271 /nfs/dbraw/zinc/53/62/71/969536271.db2.gz NVYRVCUPNMOHCE-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@H](O)CC2)CC1 ZINC001169246065 969536278 /nfs/dbraw/zinc/53/62/78/969536278.db2.gz NVYRVCUPNMOHCE-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@H](O)CC2)CC1 ZINC001169246065 969536286 /nfs/dbraw/zinc/53/62/86/969536286.db2.gz NVYRVCUPNMOHCE-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001169259047 969548538 /nfs/dbraw/zinc/54/85/38/969548538.db2.gz ZTLRPRSPDQDOBX-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001169259047 969548542 /nfs/dbraw/zinc/54/85/42/969548542.db2.gz ZTLRPRSPDQDOBX-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccnnc2)CC1 ZINC001254501591 969648093 /nfs/dbraw/zinc/64/80/93/969648093.db2.gz VWUFGUOJAKHWQC-LBPRGKRZSA-N 2 1 220.320 1.051 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccnnc2)CC1 ZINC001254501591 969648107 /nfs/dbraw/zinc/64/81/07/969648107.db2.gz VWUFGUOJAKHWQC-LBPRGKRZSA-N 2 1 220.320 1.051 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](F)C(C)(C)O)CC1 ZINC001254512556 969678588 /nfs/dbraw/zinc/67/85/88/969678588.db2.gz OIGMSYWFOQYZKL-WDEREUQCSA-N 2 1 232.343 1.169 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](F)C(C)(C)O)CC1 ZINC001254512556 969678595 /nfs/dbraw/zinc/67/85/95/969678595.db2.gz OIGMSYWFOQYZKL-WDEREUQCSA-N 2 1 232.343 1.169 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@@H](C)O1 ZINC001254516306 969686252 /nfs/dbraw/zinc/68/62/52/969686252.db2.gz LSMRUYUEHYVELG-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@@H](C)O1 ZINC001254516306 969686268 /nfs/dbraw/zinc/68/62/68/969686268.db2.gz LSMRUYUEHYVELG-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP COC[C@H]1CCCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254515692 969692889 /nfs/dbraw/zinc/69/28/89/969692889.db2.gz AYJLHBLYEUEKEZ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@H]1CCCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254515692 969692894 /nfs/dbraw/zinc/69/28/94/969692894.db2.gz AYJLHBLYEUEKEZ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP COC[C@H]1CCCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254515692 969692902 /nfs/dbraw/zinc/69/29/02/969692902.db2.gz AYJLHBLYEUEKEZ-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@]1(C)O ZINC001254517356 969697431 /nfs/dbraw/zinc/69/74/31/969697431.db2.gz UXIGIIGPTNEAEO-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CC[C@]1(C)O ZINC001254517356 969697436 /nfs/dbraw/zinc/69/74/36/969697436.db2.gz UXIGIIGPTNEAEO-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC[C@]1(C)O ZINC001254517356 969697442 /nfs/dbraw/zinc/69/74/42/969697442.db2.gz UXIGIIGPTNEAEO-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP CN(C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517047 969701326 /nfs/dbraw/zinc/70/13/26/969701326.db2.gz RLVPCNGHUKPVOA-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC3CC(C3)C2)CC1 ZINC001254530767 969717665 /nfs/dbraw/zinc/71/76/65/969717665.db2.gz HDKABADKUJVJOM-WXRRBKDZSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CCN([C@H]2CCC[NH+](C)CC2)CC1(C)C ZINC001254525747 969722337 /nfs/dbraw/zinc/72/23/37/969722337.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+]1CCN([C@H]2CCC[N@H+](C)CC2)CC1(C)C ZINC001254525747 969722342 /nfs/dbraw/zinc/72/23/42/969722342.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+]1CCN([C@H]2CCC[N@@H+](C)CC2)CC1(C)C ZINC001254525747 969722347 /nfs/dbraw/zinc/72/23/47/969722347.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CN1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)CC1(C)C ZINC001254525747 969722354 /nfs/dbraw/zinc/72/23/54/969722354.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CN1CC[N@H+]([C@H]2CCC[NH+](C)CC2)CC1(C)C ZINC001254525747 969722361 /nfs/dbraw/zinc/72/23/61/969722361.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CN1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1(C)C ZINC001254525747 969722368 /nfs/dbraw/zinc/72/23/68/969722368.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CN1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1(C)C ZINC001254525747 969722376 /nfs/dbraw/zinc/72/23/76/969722376.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001254531746 969729739 /nfs/dbraw/zinc/72/97/39/969729739.db2.gz LCVDMXOBRBMDRE-AGIUHOORSA-N 2 1 208.349 1.955 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001254531746 969729746 /nfs/dbraw/zinc/72/97/46/969729746.db2.gz LCVDMXOBRBMDRE-AGIUHOORSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001254531746 969729757 /nfs/dbraw/zinc/72/97/57/969729757.db2.gz LCVDMXOBRBMDRE-AGIUHOORSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001254531746 969729766 /nfs/dbraw/zinc/72/97/66/969729766.db2.gz LCVDMXOBRBMDRE-AGIUHOORSA-N 2 1 208.349 1.955 20 0 BDADMP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(C[NH3+])CC2)C1 ZINC001255348170 970121888 /nfs/dbraw/zinc/12/18/88/970121888.db2.gz BUASFLZOOIIJGC-WDEREUQCSA-N 2 1 240.347 1.189 20 0 BDADMP COC1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001255443248 970175304 /nfs/dbraw/zinc/17/53/04/970175304.db2.gz JEZHFNJGCBJPKP-UHFFFAOYSA-N 2 1 200.326 1.271 20 0 BDADMP C[C@H]([NH3+])c1nccn1[C@H]1CCC[N@@H+](C)C1 ZINC001255466198 970195689 /nfs/dbraw/zinc/19/56/89/970195689.db2.gz IYDRKRMTTOCQGP-UWVGGRQHSA-N 2 1 208.309 1.170 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1(F)COC1 ZINC001255946132 970578562 /nfs/dbraw/zinc/57/85/62/970578562.db2.gz QVKIBPMJNUNXHV-LLVKDONJSA-N 2 1 232.343 1.435 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC001255949986 970581914 /nfs/dbraw/zinc/58/19/14/970581914.db2.gz DLTPTNKSCYLQCR-RYUDHWBXSA-N 3 1 215.385 1.291 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@](C)(O)C1 ZINC001255955558 970583892 /nfs/dbraw/zinc/58/38/92/970583892.db2.gz BSBVIUAGJMYAGG-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC001255955085 970590238 /nfs/dbraw/zinc/59/02/38/970590238.db2.gz NPPPWJVITOFSMN-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](O)C1 ZINC001255955085 970590249 /nfs/dbraw/zinc/59/02/49/970590249.db2.gz NPPPWJVITOFSMN-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[NH+]1CCC([NH2+]CCCCCCC[NH3+])CC1 ZINC001256200289 970696512 /nfs/dbraw/zinc/69/65/12/970696512.db2.gz OMUCZTUPHAQXAO-UHFFFAOYSA-N 3 1 227.396 1.579 20 0 BDADMP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001173353641 975307571 /nfs/dbraw/zinc/30/75/71/975307571.db2.gz QAEZCBPUICXOON-KBPBESRZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001173353641 975307578 /nfs/dbraw/zinc/30/75/78/975307578.db2.gz QAEZCBPUICXOON-KBPBESRZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001173353641 975307584 /nfs/dbraw/zinc/30/75/84/975307584.db2.gz QAEZCBPUICXOON-KBPBESRZSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001173353641 975307587 /nfs/dbraw/zinc/30/75/87/975307587.db2.gz QAEZCBPUICXOON-KBPBESRZSA-N 2 1 239.407 1.401 20 0 BDADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001173625748 975490827 /nfs/dbraw/zinc/49/08/27/975490827.db2.gz FFXJPKYTPOZKEZ-GHMZBOCLSA-N 2 1 242.363 1.435 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001333599546 975881101 /nfs/dbraw/zinc/88/11/01/975881101.db2.gz XBWLCKWGDMKZDC-UTUOFQBUSA-N 3 1 227.396 1.480 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC001206293099 978291739 /nfs/dbraw/zinc/29/17/39/978291739.db2.gz GHMBPAIROJZNES-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+]CCCCN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042576 978961571 /nfs/dbraw/zinc/96/15/71/978961571.db2.gz XRDPMKXCKLXEEB-CYBMUJFWSA-N 2 1 225.380 1.333 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CNC(C)(C)O2)C1 ZINC001235949239 979218569 /nfs/dbraw/zinc/21/85/69/979218569.db2.gz ABHJAVRLBKLSEK-RYUDHWBXSA-N 2 1 226.364 1.833 20 0 BDADMP CC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235949239 979218579 /nfs/dbraw/zinc/21/85/79/979218579.db2.gz ABHJAVRLBKLSEK-RYUDHWBXSA-N 2 1 226.364 1.833 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235949239 979218586 /nfs/dbraw/zinc/21/85/86/979218586.db2.gz ABHJAVRLBKLSEK-RYUDHWBXSA-N 2 1 226.364 1.833 20 0 BDADMP C[C@H]1C[C@@H](N)C[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001236046005 979343169 /nfs/dbraw/zinc/34/31/69/979343169.db2.gz ZSDFVDDDKPSUKJ-NWDGAFQWSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]1C[C@@H](N)C[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001236046005 979343181 /nfs/dbraw/zinc/34/31/81/979343181.db2.gz ZSDFVDDDKPSUKJ-NWDGAFQWSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206541713 979643907 /nfs/dbraw/zinc/64/39/07/979643907.db2.gz IFLYDCLYPCQZSA-KGLIPLIRSA-N 3 1 239.407 1.437 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254866 979730630 /nfs/dbraw/zinc/73/06/30/979730630.db2.gz CYEKORMZQNZYEX-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254866 979730638 /nfs/dbraw/zinc/73/06/38/979730638.db2.gz CYEKORMZQNZYEX-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254866 979730646 /nfs/dbraw/zinc/73/06/46/979730646.db2.gz CYEKORMZQNZYEX-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254866 979730654 /nfs/dbraw/zinc/73/06/54/979730654.db2.gz CYEKORMZQNZYEX-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254866 979730661 /nfs/dbraw/zinc/73/06/61/979730661.db2.gz CYEKORMZQNZYEX-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP CN1CCC[C@H](C[N@@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254866 979730669 /nfs/dbraw/zinc/73/06/69/979730669.db2.gz CYEKORMZQNZYEX-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@H](C[N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001205254866 979730677 /nfs/dbraw/zinc/73/06/77/979730677.db2.gz CYEKORMZQNZYEX-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP [NH3+]CCCCC[N@H+](C1CCC1)[C@H]1CCCNC1 ZINC001237142806 979821956 /nfs/dbraw/zinc/82/19/56/979821956.db2.gz BXNODBLMBXHMOI-AWEZNQCLSA-N 2 1 239.407 1.722 20 0 BDADMP [NH3+]CCCCC[N@@H+](C1CCC1)[C@H]1CCCNC1 ZINC001237142806 979821958 /nfs/dbraw/zinc/82/19/58/979821958.db2.gz BXNODBLMBXHMOI-AWEZNQCLSA-N 2 1 239.407 1.722 20 0 BDADMP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237173236 979830093 /nfs/dbraw/zinc/83/00/93/979830093.db2.gz OFHBRPFMYVBFLF-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP CCCC[C@@H](CC)C[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237173236 979830095 /nfs/dbraw/zinc/83/00/95/979830095.db2.gz OFHBRPFMYVBFLF-CHWSQXEVSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1ccc(NCC[C@H]2CCC[NH2+]2)[nH+]c1 ZINC000159276093 981959611 /nfs/dbraw/zinc/95/96/11/981959611.db2.gz MLFYQDSZJFVJSJ-LLVKDONJSA-N 2 1 205.305 1.944 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001172439165 974795975 /nfs/dbraw/zinc/79/59/75/974795975.db2.gz ZMBAGNLBANDZAK-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001172439165 974795981 /nfs/dbraw/zinc/79/59/81/974795981.db2.gz ZMBAGNLBANDZAK-RYUDHWBXSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)COCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172455400 974819178 /nfs/dbraw/zinc/81/91/78/974819178.db2.gz RPHZLXRADCRWDW-LLVKDONJSA-N 2 1 216.369 1.765 20 0 BDADMP CN1CC[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C1 ZINC001246571327 972851278 /nfs/dbraw/zinc/85/12/78/972851278.db2.gz BEZMXSIUPLVSPE-QWHCGFSZSA-N 2 1 225.380 1.141 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579275 972917686 /nfs/dbraw/zinc/91/76/86/972917686.db2.gz UAQNBBQHRXTQQA-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1C[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246581461 972935011 /nfs/dbraw/zinc/93/50/11/972935011.db2.gz KTURAQMVQDHJFV-LMLFDSFASA-N 2 1 247.333 1.184 20 0 BDADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC001256568830 970867884 /nfs/dbraw/zinc/86/78/84/970867884.db2.gz HFEFGFQCRHHBBV-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)(C)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC001256568830 970867886 /nfs/dbraw/zinc/86/78/86/970867886.db2.gz HFEFGFQCRHHBBV-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)N(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614486 970878885 /nfs/dbraw/zinc/87/88/85/970878885.db2.gz WLXFEHIUCRCNHE-PBWFPOADSA-N 2 1 239.407 1.671 20 0 BDADMP COC[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256622307 970888816 /nfs/dbraw/zinc/88/88/16/970888816.db2.gz HDVTWVTYNWWWPY-HABKJSAYSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256622307 970888823 /nfs/dbraw/zinc/88/88/23/970888823.db2.gz HDVTWVTYNWWWPY-HABKJSAYSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256622307 970888830 /nfs/dbraw/zinc/88/88/30/970888830.db2.gz HDVTWVTYNWWWPY-HABKJSAYSA-N 2 1 238.375 1.580 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccncc1 ZINC001256718383 970937864 /nfs/dbraw/zinc/93/78/64/970937864.db2.gz IBPCYVLIMXEORC-GFCCVEGCSA-N 2 1 244.342 1.807 20 0 BDADMP [NH3+]CC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256856784 970996888 /nfs/dbraw/zinc/99/68/88/970996888.db2.gz RKNUXFRHHCACLA-UHFFFAOYSA-N 3 1 246.358 1.131 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898734 971012432 /nfs/dbraw/zinc/01/24/32/971012432.db2.gz OWCFIGBGKMODNJ-OLZOCXBDSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898734 971012439 /nfs/dbraw/zinc/01/24/39/971012439.db2.gz OWCFIGBGKMODNJ-OLZOCXBDSA-N 2 1 240.391 1.754 20 0 BDADMP C[NH+]1CCN(C(=O)CCCCCCC[NH3+])CC1 ZINC000403663494 971011344 /nfs/dbraw/zinc/01/13/44/971011344.db2.gz NBKWXLVYDLOMDX-UHFFFAOYSA-N 2 1 241.379 1.060 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898733 971012144 /nfs/dbraw/zinc/01/21/44/971012144.db2.gz OWCFIGBGKMODNJ-CHWSQXEVSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCO)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898733 971012150 /nfs/dbraw/zinc/01/21/50/971012150.db2.gz OWCFIGBGKMODNJ-CHWSQXEVSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898735 971015703 /nfs/dbraw/zinc/01/57/03/971015703.db2.gz OWCFIGBGKMODNJ-QWHCGFSZSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898735 971015715 /nfs/dbraw/zinc/01/57/15/971015715.db2.gz OWCFIGBGKMODNJ-QWHCGFSZSA-N 2 1 240.391 1.754 20 0 BDADMP [NH3+]Cc1cnnn1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901225 971015825 /nfs/dbraw/zinc/01/58/25/971015825.db2.gz FJFDAXLIMHFCHZ-GFCCVEGCSA-N 2 1 249.362 1.316 20 0 BDADMP [NH3+]C1CC(N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904864 971020804 /nfs/dbraw/zinc/02/08/04/971020804.db2.gz NIFKHYFXVVUBDM-CPCZMJQVSA-N 2 1 237.391 1.473 20 0 BDADMP CCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001257210429 971126640 /nfs/dbraw/zinc/12/66/40/971126640.db2.gz PVTHYIHIDVNGHM-LBPRGKRZSA-N 2 1 241.379 1.103 20 0 BDADMP Nc1c[nH+]cn1-c1c[nH+]cn1Cc1ccccc1 ZINC001216549552 971124372 /nfs/dbraw/zinc/12/43/72/971124372.db2.gz MDFYBGVIXVSMHJ-UHFFFAOYSA-N 2 1 239.282 1.699 20 0 BDADMP COCC1C[NH+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257213466 971127333 /nfs/dbraw/zinc/12/73/33/971127333.db2.gz OCOYIRNIDPKFLG-UHFFFAOYSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001257214005 971129882 /nfs/dbraw/zinc/12/98/82/971129882.db2.gz YOMKAVVHUFNDMB-CHWSQXEVSA-N 2 1 244.354 1.264 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001257214005 971129890 /nfs/dbraw/zinc/12/98/90/971129890.db2.gz YOMKAVVHUFNDMB-CHWSQXEVSA-N 2 1 244.354 1.264 20 0 BDADMP CC(C)N1CCC([N@@H+](CCCO)C(C)C)CC1 ZINC001257216288 971132567 /nfs/dbraw/zinc/13/25/67/971132567.db2.gz FGHOXURRBXBRNU-UHFFFAOYSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[N@H+](CCCO)C1CC[NH+](C(C)C)CC1 ZINC001257216288 971132575 /nfs/dbraw/zinc/13/25/75/971132575.db2.gz FGHOXURRBXBRNU-UHFFFAOYSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[N@@H+](CCCO)C1CC[NH+](C(C)C)CC1 ZINC001257216288 971132582 /nfs/dbraw/zinc/13/25/82/971132582.db2.gz FGHOXURRBXBRNU-UHFFFAOYSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)N1CCC([N@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC001257217826 971133881 /nfs/dbraw/zinc/13/38/81/971133881.db2.gz PDEJDPZZVKOPIZ-JSGCOSHPSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC001257217826 971133893 /nfs/dbraw/zinc/13/38/93/971133893.db2.gz PDEJDPZZVKOPIZ-JSGCOSHPSA-N 2 1 240.391 1.704 20 0 BDADMP CCC[C@@H](CC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001257250230 971143600 /nfs/dbraw/zinc/14/36/00/971143600.db2.gz KMIDZQQDTNLZAT-ZIAGYGMSSA-N 2 1 239.407 1.578 20 0 BDADMP CCc1cccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001170566540 971199959 /nfs/dbraw/zinc/19/99/59/971199959.db2.gz AYLSOPNKKDTPLZ-JQWIXIFHSA-N 2 1 235.331 1.433 20 0 BDADMP CCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000405234836 971214196 /nfs/dbraw/zinc/21/41/96/971214196.db2.gz DBOMOSJGDYDUFM-NEPJUHHUSA-N 2 1 234.347 1.263 20 0 BDADMP CCc1ccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]c1 ZINC001170570784 971215403 /nfs/dbraw/zinc/21/54/03/971215403.db2.gz LBWSZUKMWIZDAP-PWSUYJOCSA-N 2 1 235.331 1.433 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405247289 971218545 /nfs/dbraw/zinc/21/85/45/971218545.db2.gz DGJVOYGMPNQOOX-STQMWFEESA-N 2 1 239.407 1.576 20 0 BDADMP c1cc2c[nH+]c(N3CC[N@@H+]4CC[C@H]4C3)cc2[nH]1 ZINC001158422468 971221669 /nfs/dbraw/zinc/22/16/69/971221669.db2.gz AXVHPRSKTILIST-NSHDSACASA-N 2 1 228.299 1.457 20 0 BDADMP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)ccn1 ZINC000405244015 971221805 /nfs/dbraw/zinc/22/18/05/971221805.db2.gz YFEJVFDARHYEGU-VXGBXAGGSA-N 2 1 247.342 1.450 20 0 BDADMP Cc1ccoc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405251538 971222527 /nfs/dbraw/zinc/22/25/27/971222527.db2.gz DCYOTSIXDALZQU-NWDGAFQWSA-N 2 1 220.316 1.948 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405247286 971222994 /nfs/dbraw/zinc/22/29/94/971222994.db2.gz DGJVOYGMPNQOOX-CHWSQXEVSA-N 2 1 239.407 1.576 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccoc2)C12CCC2 ZINC000405285059 971225240 /nfs/dbraw/zinc/22/52/40/971225240.db2.gz DJJDYABUHIBWRO-GHMZBOCLSA-N 2 1 206.289 1.639 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405372244 971245690 /nfs/dbraw/zinc/24/56/90/971245690.db2.gz ZKDXYHSDCMIUEK-AVGNSLFASA-N 2 1 239.407 1.576 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405536946 971268738 /nfs/dbraw/zinc/26/87/38/971268738.db2.gz ZUIJSZXVQCNDAQ-NWDGAFQWSA-N 2 1 235.331 1.651 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405536948 971270066 /nfs/dbraw/zinc/27/00/66/971270066.db2.gz ZUIJSZXVQCNDAQ-VXGBXAGGSA-N 2 1 235.331 1.651 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](C1CCCC1)CC2 ZINC001257355939 971272306 /nfs/dbraw/zinc/27/23/06/971272306.db2.gz LMNBTHVTKXQXTG-UHFFFAOYSA-N 2 1 205.305 1.684 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](C1CCCC1)CC2 ZINC001257355939 971272313 /nfs/dbraw/zinc/27/23/13/971272313.db2.gz LMNBTHVTKXQXTG-UHFFFAOYSA-N 2 1 205.305 1.684 20 0 BDADMP Cc1c[nH+]c(N2CC[N@H+](C(C)C)[C@@H](C)C2)cc1N ZINC001158495603 971288454 /nfs/dbraw/zinc/28/84/54/971288454.db2.gz ZNXUSPJUGLWTCK-LBPRGKRZSA-N 2 1 248.374 1.891 20 0 BDADMP [NH3+]CCC[C@@H]([NH3+])c1nnc(Cc2ccccc2)o1 ZINC001217695846 971335360 /nfs/dbraw/zinc/33/53/60/971335360.db2.gz LAYAIYNDARYJLQ-LLVKDONJSA-N 2 1 246.314 1.399 20 0 BDADMP CC[C@@H](C)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001257444433 971357552 /nfs/dbraw/zinc/35/75/52/971357552.db2.gz ISAAAMIRGKZBTJ-GFCCVEGCSA-N 2 1 244.379 1.602 20 0 BDADMP CC(C)[NH+]1CC(OC[C@H]2CCC[NH2+]C2)C1 ZINC001217829350 971422579 /nfs/dbraw/zinc/42/25/79/971422579.db2.gz IZCOFFWWZXTCPJ-NSHDSACASA-N 2 1 212.337 1.095 20 0 BDADMP CCOC(=[NH2+])CCCCO[C@H]1CCC[NH2+]C1 ZINC001217860454 971451630 /nfs/dbraw/zinc/45/16/30/971451630.db2.gz MSFYBGBNOZHQSN-NSHDSACASA-N 2 1 228.336 1.939 20 0 BDADMP CC(C)C[NH+]1CCC(n2cnc(C[NH3+])n2)CC1 ZINC001258003741 971552117 /nfs/dbraw/zinc/55/21/17/971552117.db2.gz SMGBOECNEKBQRM-UHFFFAOYSA-N 2 1 237.351 1.030 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@](C)(O)C2)CC1 ZINC001258013443 971555096 /nfs/dbraw/zinc/55/50/96/971555096.db2.gz RBYBDFQHJIUQPU-AWEZNQCLSA-N 2 1 240.391 1.564 20 0 BDADMP N[C@H]1CC[N@@H+](CCC2CCOCC2)CC[C@@H]1F ZINC001206156802 974333565 /nfs/dbraw/zinc/33/35/65/974333565.db2.gz SXFZZEBAXJZJAX-STQMWFEESA-N 2 1 244.354 1.564 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCC2CCOCC2)CC[C@@H]1F ZINC001206156802 974333577 /nfs/dbraw/zinc/33/35/77/974333577.db2.gz SXFZZEBAXJZJAX-STQMWFEESA-N 2 1 244.354 1.564 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCC2CCOCC2)CC[C@@H]1F ZINC001206156802 974333588 /nfs/dbraw/zinc/33/35/88/974333588.db2.gz SXFZZEBAXJZJAX-STQMWFEESA-N 2 1 244.354 1.564 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156719 974333968 /nfs/dbraw/zinc/33/39/68/974333968.db2.gz SIBRLEPQOQWHRV-QWRGUYRKSA-N 2 1 244.354 1.753 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156719 974333978 /nfs/dbraw/zinc/33/39/78/974333978.db2.gz SIBRLEPQOQWHRV-QWRGUYRKSA-N 2 1 244.354 1.753 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156719 974333987 /nfs/dbraw/zinc/33/39/87/974333987.db2.gz SIBRLEPQOQWHRV-QWRGUYRKSA-N 2 1 244.354 1.753 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(C[NH3+])CC1)C2 ZINC001172110481 974373003 /nfs/dbraw/zinc/37/30/03/974373003.db2.gz NFMRPAYHOZOXOJ-ZSBIGDGJSA-N 2 1 223.364 1.083 20 0 BDADMP C[C@H](C[NH3+])CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119217 974385099 /nfs/dbraw/zinc/38/50/99/974385099.db2.gz WDSUHVXXQMHMSL-YIYPIFLZSA-N 2 1 239.407 1.528 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170761620 971743424 /nfs/dbraw/zinc/74/34/24/971743424.db2.gz NURVXICRHSTWGG-RVOPOGNISA-N 2 1 234.387 1.914 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCCOCC1 ZINC001170777326 971804425 /nfs/dbraw/zinc/80/44/25/971804425.db2.gz ZFMHHQOEHBXJFW-LBPRGKRZSA-N 2 1 214.353 1.615 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccncc2)CC[C@H]1F ZINC001206163719 974512936 /nfs/dbraw/zinc/51/29/36/974512936.db2.gz FCOMRDQRESZRAI-NEPJUHHUSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccncc2)CC[C@H]1F ZINC001206163719 974512941 /nfs/dbraw/zinc/51/29/41/974512941.db2.gz FCOMRDQRESZRAI-NEPJUHHUSA-N 2 1 223.295 1.343 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@@H]2COC(C)(C)C2)CC1 ZINC001172287600 974552296 /nfs/dbraw/zinc/55/22/96/974552296.db2.gz YESFZKQBMFHLDV-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2COC(C)(C)C2)CC1 ZINC001172287600 974552301 /nfs/dbraw/zinc/55/23/01/974552301.db2.gz YESFZKQBMFHLDV-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1COC(C)(C)C1 ZINC001172290535 974557280 /nfs/dbraw/zinc/55/72/80/974557280.db2.gz CZVAUYDMEIEFKF-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812982 971885290 /nfs/dbraw/zinc/88/52/90/971885290.db2.gz XWTBFFHBFILKHF-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812982 971885296 /nfs/dbraw/zinc/88/52/96/971885296.db2.gz XWTBFFHBFILKHF-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812982 971885298 /nfs/dbraw/zinc/88/52/98/971885298.db2.gz XWTBFFHBFILKHF-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP CCn1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC000310308104 971969817 /nfs/dbraw/zinc/96/98/17/971969817.db2.gz VWVYKAQNGHPCGZ-LBPRGKRZSA-N 2 1 236.363 1.464 20 0 BDADMP Cc1cc(C)c(NC(=O)C[NH2+]CCC[NH3+])cc1C ZINC001219007044 971971709 /nfs/dbraw/zinc/97/17/09/971971709.db2.gz FCYLWDZCUMDVOJ-UHFFFAOYSA-N 2 1 249.358 1.489 20 0 BDADMP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860515 971984997 /nfs/dbraw/zinc/98/49/97/971984997.db2.gz CVYHYCBZLSPWOA-NWDGAFQWSA-N 2 1 243.395 1.221 20 0 BDADMP Cc1nc(-n2ccnc2)cc(NCC[C@@H](C)[NH3+])[nH+]1 ZINC001170889354 972037590 /nfs/dbraw/zinc/03/75/90/972037590.db2.gz AIBBWJXLJHRBJT-SECBINFHSA-N 2 1 246.318 1.120 20 0 BDADMP CC(C)CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000190759776 972053582 /nfs/dbraw/zinc/05/35/82/972053582.db2.gz ULYPAVJDNYRMPL-AWEZNQCLSA-N 2 1 242.407 1.859 20 0 BDADMP Cc1c2nc[nH]c2ccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899692 972061672 /nfs/dbraw/zinc/06/16/72/972061672.db2.gz LFMILMXVXKEKSU-LLVKDONJSA-N 2 1 233.319 1.307 20 0 BDADMP Nc1cc[nH+]c2cc(N[C@H](N)CCC[NH3+])ccc12 ZINC001170900396 972063046 /nfs/dbraw/zinc/06/30/46/972063046.db2.gz KWPRDPXSNPTZJM-ZDUSSCGKSA-N 2 1 245.330 1.253 20 0 BDADMP Cn1ccc2c1cc[nH+]c2N[C@H](N)CCC[NH3+] ZINC001159785634 972112447 /nfs/dbraw/zinc/11/24/47/972112447.db2.gz RGPWVHILWWIQOX-NSHDSACASA-N 2 1 233.319 1.009 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246079445 972134257 /nfs/dbraw/zinc/13/42/57/972134257.db2.gz FBKPHBFJRQBLID-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246079445 972134260 /nfs/dbraw/zinc/13/42/60/972134260.db2.gz FBKPHBFJRQBLID-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)(C)[C@H]1C[C@@H](NCC2(F)C[NH2+]C2)CC[NH2+]1 ZINC001246090977 972145799 /nfs/dbraw/zinc/14/57/99/972145799.db2.gz AOAIRODIAQDNMH-WDEREUQCSA-N 2 1 243.370 1.054 20 0 BDADMP CC(C)COCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246129214 972187630 /nfs/dbraw/zinc/18/76/30/972187630.db2.gz QQRZALPDNJQKPC-OLZOCXBDSA-N 2 1 228.380 1.779 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](F)[C@@H](O)CC2)C1 ZINC001208607280 957090036 /nfs/dbraw/zinc/09/00/36/957090036.db2.gz LHTQJTXXEDVXMC-XQQFMLRXSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)C1 ZINC001208607280 957090050 /nfs/dbraw/zinc/09/00/50/957090050.db2.gz LHTQJTXXEDVXMC-XQQFMLRXSA-N 2 1 244.354 1.123 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)C1 ZINC001208607280 957090063 /nfs/dbraw/zinc/09/00/63/957090063.db2.gz LHTQJTXXEDVXMC-XQQFMLRXSA-N 2 1 244.354 1.123 20 0 BDADMP Cc1c[nH+]ccc1NC1=CC[N@@H+](C)CC1 ZINC001208718815 957138639 /nfs/dbraw/zinc/13/86/39/957138639.db2.gz MTSZJKWIQZFLOE-UHFFFAOYSA-N 2 1 203.289 1.443 20 0 BDADMP CC/C=C\CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208729544 957145295 /nfs/dbraw/zinc/14/52/95/957145295.db2.gz AVKVMKRGUHXESO-SIDSAAMKSA-N 2 1 208.349 1.836 20 0 BDADMP CC/C=C\CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001208729544 957145300 /nfs/dbraw/zinc/14/53/00/957145300.db2.gz AVKVMKRGUHXESO-SIDSAAMKSA-N 2 1 208.349 1.836 20 0 BDADMP CC/C=C\CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001208729544 957145304 /nfs/dbraw/zinc/14/53/04/957145304.db2.gz AVKVMKRGUHXESO-SIDSAAMKSA-N 2 1 208.349 1.836 20 0 BDADMP C[NH2+]CC[C@@H](C)[NH2+]CC[C@@H]1CCCC[NH2+]1 ZINC001246243357 972248899 /nfs/dbraw/zinc/24/88/99/972248899.db2.gz IAHBIIZGOFBDTO-NEPJUHHUSA-N 3 1 213.369 1.106 20 0 BDADMP CC[NH2+]CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246274568 972253441 /nfs/dbraw/zinc/25/34/41/972253441.db2.gz XQDCLHHQCSBWMF-UHFFFAOYSA-N 3 1 239.407 1.498 20 0 BDADMP C[N@@H+]1C[C@H]2CN(C[C@@H](O)c3ccccc3)C[C@H]2C1 ZINC000705658564 957406120 /nfs/dbraw/zinc/40/61/20/957406120.db2.gz JZHDLEMTMPVDOT-QLFBSQMISA-N 2 1 246.354 1.213 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658564 957406137 /nfs/dbraw/zinc/40/61/37/957406137.db2.gz JZHDLEMTMPVDOT-QLFBSQMISA-N 2 1 246.354 1.213 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658564 957406155 /nfs/dbraw/zinc/40/61/55/957406155.db2.gz JZHDLEMTMPVDOT-QLFBSQMISA-N 2 1 246.354 1.213 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658564 957406166 /nfs/dbraw/zinc/40/61/66/957406166.db2.gz JZHDLEMTMPVDOT-QLFBSQMISA-N 2 1 246.354 1.213 20 0 BDADMP C[N@@H+]1C[C@H]2CN(C[C@H](O)c3ccccc3)C[C@H]2C1 ZINC000705658573 957406889 /nfs/dbraw/zinc/40/68/89/957406889.db2.gz JZHDLEMTMPVDOT-ZNMIVQPWSA-N 2 1 246.354 1.213 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658573 957406900 /nfs/dbraw/zinc/40/69/00/957406900.db2.gz JZHDLEMTMPVDOT-ZNMIVQPWSA-N 2 1 246.354 1.213 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658573 957406902 /nfs/dbraw/zinc/40/69/02/957406902.db2.gz JZHDLEMTMPVDOT-ZNMIVQPWSA-N 2 1 246.354 1.213 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658573 957406908 /nfs/dbraw/zinc/40/69/08/957406908.db2.gz JZHDLEMTMPVDOT-ZNMIVQPWSA-N 2 1 246.354 1.213 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)CC[NH2+]1 ZINC001246303628 972265907 /nfs/dbraw/zinc/26/59/07/972265907.db2.gz HOGPXQHZGJGXIG-MWLCHTKSSA-N 2 1 223.295 1.451 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209428286 957451627 /nfs/dbraw/zinc/45/16/27/957451627.db2.gz RSVRKJFEQRTLNZ-ZDEQEGDKSA-N 2 1 208.349 1.526 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209428286 957451641 /nfs/dbraw/zinc/45/16/41/957451641.db2.gz RSVRKJFEQRTLNZ-ZDEQEGDKSA-N 2 1 208.349 1.526 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209428286 957451656 /nfs/dbraw/zinc/45/16/56/957451656.db2.gz RSVRKJFEQRTLNZ-ZDEQEGDKSA-N 2 1 208.349 1.526 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@H](C)CC[C@H]1CN ZINC000705780745 957484094 /nfs/dbraw/zinc/48/40/94/957484094.db2.gz OTZUCEFKSPQODX-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP CCOC(C)(C)C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC000705780745 957484099 /nfs/dbraw/zinc/48/40/99/957484099.db2.gz OTZUCEFKSPQODX-NEPJUHHUSA-N 2 1 228.380 1.861 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001209733201 957528558 /nfs/dbraw/zinc/52/85/58/957528558.db2.gz RJTRTCGHVOCYGO-SKDRFNHKSA-N 2 1 203.289 1.478 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001209733201 957528568 /nfs/dbraw/zinc/52/85/68/957528568.db2.gz RJTRTCGHVOCYGO-SKDRFNHKSA-N 2 1 203.289 1.478 20 0 BDADMP CCOC(=O)C[C@@H]1CCC[N@@H+](CCCC[NH3+])C1 ZINC001209856680 957546206 /nfs/dbraw/zinc/54/62/06/957546206.db2.gz MMZWFLAIMBLJJG-LBPRGKRZSA-N 2 1 242.363 1.391 20 0 BDADMP CCCO[C@H]1CC[N@@H+](CCCC[NH3+])C1 ZINC000706436318 957849728 /nfs/dbraw/zinc/84/97/28/957849728.db2.gz ZVHKTGKOTWHIBN-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CCc2cccnc2)C[NH2+]1 ZINC000398968886 958464638 /nfs/dbraw/zinc/46/46/38/958464638.db2.gz UHBLSWWGQSNXTD-WCQYABFASA-N 2 1 219.332 1.354 20 0 BDADMP COC(=O)CCCC[NH2+]C1CC[NH+](C)CC1 ZINC000707502010 958558177 /nfs/dbraw/zinc/55/81/77/958558177.db2.gz PHZQQGLMVCVDSO-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP Cc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)o1 ZINC001222086104 972363451 /nfs/dbraw/zinc/36/34/51/972363451.db2.gz SIYOGAKOTGAPPZ-UHFFFAOYSA-N 2 1 249.358 1.115 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382670383 958715435 /nfs/dbraw/zinc/71/54/35/958715435.db2.gz QXAWCAJPBNXUCG-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000382670383 958715461 /nfs/dbraw/zinc/71/54/61/958715461.db2.gz QXAWCAJPBNXUCG-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000724153699 958742432 /nfs/dbraw/zinc/74/24/32/958742432.db2.gz SPPVRXJKCHZJSL-OLZOCXBDSA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[NH2+]CC1)C2 ZINC001246521839 972377013 /nfs/dbraw/zinc/37/70/13/972377013.db2.gz ASFZXZAFVVAHHM-AWEZNQCLSA-N 2 1 246.354 1.458 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCC[NH2+]CC1)C2 ZINC001246521839 972377023 /nfs/dbraw/zinc/37/70/23/972377023.db2.gz ASFZXZAFVVAHHM-AWEZNQCLSA-N 2 1 246.354 1.458 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CC[C@@]1(C)O ZINC001207276454 958848481 /nfs/dbraw/zinc/84/84/81/958848481.db2.gz WWSPKQUPOVIIOX-TZMCWYRMSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708899974 958851689 /nfs/dbraw/zinc/85/16/89/958851689.db2.gz QKSGBUHRUIOMGJ-QNMSZWNNSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708899974 958851690 /nfs/dbraw/zinc/85/16/90/958851690.db2.gz QKSGBUHRUIOMGJ-QNMSZWNNSA-N 2 1 238.375 1.626 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOCC23CCCC3)C1 ZINC000693586118 958889552 /nfs/dbraw/zinc/88/95/52/958889552.db2.gz RJHLSTQDYQDSTM-TXEJJXNPSA-N 2 1 224.348 1.369 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693618666 959010753 /nfs/dbraw/zinc/01/07/53/959010753.db2.gz XRKRHSURDKROJP-AXFHLTTASA-N 2 1 214.378 1.551 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237720 972421562 /nfs/dbraw/zinc/42/15/62/972421562.db2.gz QWAAYVBNHVNDQM-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCCN1CCC[C@@]12CCC[NH2+]C2 ZINC001222237720 972421568 /nfs/dbraw/zinc/42/15/68/972421568.db2.gz QWAAYVBNHVNDQM-CYBMUJFWSA-N 2 1 225.380 1.333 20 0 BDADMP Cc1[nH+]cc(CN2CCC[C@]23CCC[NH2+]C3)n1C ZINC001222237942 972422235 /nfs/dbraw/zinc/42/22/35/972422235.db2.gz XNLANKITUIGGRM-AWEZNQCLSA-N 2 1 248.374 1.447 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405238088 959421427 /nfs/dbraw/zinc/42/14/27/959421427.db2.gz UYTRTPBQJXOMAB-OLZOCXBDSA-N 2 1 237.391 1.330 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405238087 959425046 /nfs/dbraw/zinc/42/50/46/959425046.db2.gz UYTRTPBQJXOMAB-CHWSQXEVSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265491 972431891 /nfs/dbraw/zinc/43/18/91/972431891.db2.gz UQPGYWWHRZXRJU-AWEZNQCLSA-N 3 1 239.407 1.581 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265313 972432947 /nfs/dbraw/zinc/43/29/47/972432947.db2.gz RAZJWCALNOALGM-ZDUSSCGKSA-N 3 1 225.380 1.191 20 0 BDADMP c1cc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cs1 ZINC000383369821 959497667 /nfs/dbraw/zinc/49/76/67/959497667.db2.gz YIFAIUMBVQUVOH-YHQUGGNUSA-N 2 1 248.395 1.877 20 0 BDADMP COc1ccc(CC[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405746026 959500090 /nfs/dbraw/zinc/50/00/90/959500090.db2.gz DJTDYHIYNZJFIL-AWEZNQCLSA-N 2 1 234.343 1.661 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405746026 959500095 /nfs/dbraw/zinc/50/00/95/959500095.db2.gz DJTDYHIYNZJFIL-AWEZNQCLSA-N 2 1 234.343 1.661 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccnn1C ZINC000693909414 959529333 /nfs/dbraw/zinc/52/93/33/959529333.db2.gz GOUILVGXKUQLQM-NWDGAFQWSA-N 2 1 236.363 1.555 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccnn1C ZINC000693909414 959529346 /nfs/dbraw/zinc/52/93/46/959529346.db2.gz GOUILVGXKUQLQM-NWDGAFQWSA-N 2 1 236.363 1.555 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000308868044 959531967 /nfs/dbraw/zinc/53/19/67/959531967.db2.gz RHYYKOYQDLWTAL-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP C1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2O1 ZINC000724821844 959796652 /nfs/dbraw/zinc/79/66/52/959796652.db2.gz GNALKPHLMJNXBZ-SYCZCVCYSA-N 2 1 236.359 1.380 20 0 BDADMP C1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2O1 ZINC000724821844 959796659 /nfs/dbraw/zinc/79/66/59/959796659.db2.gz GNALKPHLMJNXBZ-SYCZCVCYSA-N 2 1 236.359 1.380 20 0 BDADMP N=c1cc(C[NH3+])ccn1-c1cccn2c[nH+]cc12 ZINC001167691668 959819362 /nfs/dbraw/zinc/81/93/62/959819362.db2.gz GMXLIVCGWVSSGG-UHFFFAOYSA-N 2 1 239.282 1.063 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOCC1 ZINC000309344649 959854464 /nfs/dbraw/zinc/85/44/64/959854464.db2.gz LJVMKTRACMFGCD-LBPRGKRZSA-N 2 1 223.320 1.350 20 0 BDADMP c1cn2cc(O[C@@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC001218287323 959951501 /nfs/dbraw/zinc/95/15/01/959951501.db2.gz YBKKFVJDPNNHLI-SNVBAGLBSA-N 2 1 217.272 1.465 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000708889153 960077745 /nfs/dbraw/zinc/07/77/45/960077745.db2.gz GTKFGRFGRNNATL-QNWHQSFQSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C[NH3+] ZINC000708888768 960083192 /nfs/dbraw/zinc/08/31/92/960083192.db2.gz JTQYIAWLINPYRS-IZXDZPFWSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C[NH3+] ZINC000708888768 960083200 /nfs/dbraw/zinc/08/32/00/960083200.db2.gz JTQYIAWLINPYRS-IZXDZPFWSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H]1C[NH3+] ZINC000708888768 960083207 /nfs/dbraw/zinc/08/32/07/960083207.db2.gz JTQYIAWLINPYRS-IZXDZPFWSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C[NH3+] ZINC000708888768 960083214 /nfs/dbraw/zinc/08/32/14/960083214.db2.gz JTQYIAWLINPYRS-IZXDZPFWSA-N 3 1 237.391 1.138 20 0 BDADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C[NH3+] ZINC000708888768 960083223 /nfs/dbraw/zinc/08/32/23/960083223.db2.gz JTQYIAWLINPYRS-IZXDZPFWSA-N 2 1 237.391 1.138 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396802468 960405214 /nfs/dbraw/zinc/40/52/14/960405214.db2.gz JSCPWGNKGZBNON-GHMZBOCLSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c(CO)c3)C2)C1 ZINC000310901615 960482268 /nfs/dbraw/zinc/48/22/68/960482268.db2.gz BCQISAISWLHAFX-AWEZNQCLSA-N 2 1 247.342 1.106 20 0 BDADMP C[C@@]1(O)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801181 960599578 /nfs/dbraw/zinc/59/95/78/960599578.db2.gz DTEGUWYNSDUXAC-CYBMUJFWSA-N 2 1 231.299 1.520 20 0 BDADMP C[C@@]1(O)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801181 960599593 /nfs/dbraw/zinc/59/95/93/960599593.db2.gz DTEGUWYNSDUXAC-CYBMUJFWSA-N 2 1 231.299 1.520 20 0 BDADMP c1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222491980 972517373 /nfs/dbraw/zinc/51/73/73/972517373.db2.gz LZGDCOZVZXGTBL-GJZGRUSLSA-N 2 1 245.370 1.212 20 0 BDADMP c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222491980 972517387 /nfs/dbraw/zinc/51/73/87/972517387.db2.gz LZGDCOZVZXGTBL-GJZGRUSLSA-N 2 1 245.370 1.212 20 0 BDADMP CCC(CC)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492337 972522663 /nfs/dbraw/zinc/52/26/63/972522663.db2.gz SSBIBAXHXZYXBU-KBPBESRZSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@H+](Cc1cnco1)CC1CC[NH+](C)CC1 ZINC001140932088 960700608 /nfs/dbraw/zinc/70/06/08/960700608.db2.gz ZYVIUFAGIUVHQK-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP CC[N@H+]1CCC[C@@H](OC2CC[NH+](C)CC2)C1 ZINC001222504772 972527630 /nfs/dbraw/zinc/52/76/30/972527630.db2.gz ZCZLCIMGRJVZEU-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(F)n2)C1 ZINC001206624343 960820637 /nfs/dbraw/zinc/82/06/37/960820637.db2.gz VBTQXHHJYHJPGL-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(F)n2)C1 ZINC001206624343 960820638 /nfs/dbraw/zinc/82/06/38/960820638.db2.gz VBTQXHHJYHJPGL-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP CCC1(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)COC1 ZINC000399131919 961080253 /nfs/dbraw/zinc/08/02/53/961080253.db2.gz YANQMBUIKPRJAT-MNOVXSKESA-N 2 1 212.337 1.143 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc[nH]c3)C2)C1 ZINC000292755944 961305318 /nfs/dbraw/zinc/30/53/18/961305318.db2.gz IYUHNZQBTLIGOO-CYBMUJFWSA-N 2 1 219.332 1.542 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc[nH]c3)C2)C1 ZINC000292755944 961305338 /nfs/dbraw/zinc/30/53/38/961305338.db2.gz IYUHNZQBTLIGOO-CYBMUJFWSA-N 2 1 219.332 1.542 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC000292755944 961305361 /nfs/dbraw/zinc/30/53/61/961305361.db2.gz IYUHNZQBTLIGOO-CYBMUJFWSA-N 2 1 219.332 1.542 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC000292755944 961305380 /nfs/dbraw/zinc/30/53/80/961305380.db2.gz IYUHNZQBTLIGOO-CYBMUJFWSA-N 2 1 219.332 1.542 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cncc(O)c2)C1 ZINC001206632023 962116048 /nfs/dbraw/zinc/11/60/48/962116048.db2.gz DVVCHBGIWGHCJT-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001206632023 962116058 /nfs/dbraw/zinc/11/60/58/962116058.db2.gz DVVCHBGIWGHCJT-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cncc(O)c2)C1 ZINC001206632025 962124584 /nfs/dbraw/zinc/12/45/84/962124584.db2.gz DVVCHBGIWGHCJT-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001206632025 962124591 /nfs/dbraw/zinc/12/45/91/962124591.db2.gz DVVCHBGIWGHCJT-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP CC[C@H]1COCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000710767265 962466579 /nfs/dbraw/zinc/46/65/79/962466579.db2.gz DDENXGQAUQGHJL-FXJUQPSGSA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@H]1COCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000710767265 962466586 /nfs/dbraw/zinc/46/65/86/962466586.db2.gz DDENXGQAUQGHJL-FXJUQPSGSA-N 2 1 224.348 1.380 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)c12 ZINC001154974583 962929191 /nfs/dbraw/zinc/92/91/91/962929191.db2.gz FFRRGPZAUPVYDO-NXEZZACHSA-N 2 1 245.330 1.948 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712769362 962974902 /nfs/dbraw/zinc/97/49/02/962974902.db2.gz STYXGGIGLULXPZ-NWDGAFQWSA-N 2 1 240.347 1.095 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712769369 962975496 /nfs/dbraw/zinc/97/54/96/962975496.db2.gz STYXGGIGLULXPZ-VXGBXAGGSA-N 2 1 240.347 1.095 20 0 BDADMP CCCC[N@@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000894474520 963044728 /nfs/dbraw/zinc/04/47/28/963044728.db2.gz KBMOGVLYLKIJMC-UHFFFAOYSA-N 2 1 242.407 1.813 20 0 BDADMP C[C@H](C[NH+](C)C)Nc1cccc(N(C)C)[nH+]1 ZINC001155913763 963202941 /nfs/dbraw/zinc/20/29/41/963202941.db2.gz DGEJQONONNYSAC-SNVBAGLBSA-N 2 1 222.336 1.510 20 0 BDADMP COc1cc[nH+]c(NCCn2cc[nH+]c2C)c1 ZINC001156002234 963227704 /nfs/dbraw/zinc/22/77/04/963227704.db2.gz YXVDCCCRMRGYSO-UHFFFAOYSA-N 2 1 232.287 1.707 20 0 BDADMP CC[N@H+]1CCC[C@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226654294 963277391 /nfs/dbraw/zinc/27/73/91/963277391.db2.gz XSMUGMDTOUJHMI-NSHDSACASA-N 2 1 221.304 1.527 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204762711 963367278 /nfs/dbraw/zinc/36/72/78/963367278.db2.gz BGNVKTYZZRWDIF-CYBMUJFWSA-N 3 1 225.380 1.141 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204762711 963367288 /nfs/dbraw/zinc/36/72/88/963367288.db2.gz BGNVKTYZZRWDIF-CYBMUJFWSA-N 3 1 225.380 1.141 20 0 BDADMP CC(C)[N@H+](C)[C@H]1CCN(c2cccc(N)[nH+]2)C1 ZINC001157009443 963512866 /nfs/dbraw/zinc/51/28/66/963512866.db2.gz IGATZSJPSKWTPB-NSHDSACASA-N 2 1 234.347 1.583 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN(c2cccc(N)[nH+]2)C1 ZINC001157009443 963512873 /nfs/dbraw/zinc/51/28/73/963512873.db2.gz IGATZSJPSKWTPB-NSHDSACASA-N 2 1 234.347 1.583 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCSC2)CC1 ZINC000725613765 963588114 /nfs/dbraw/zinc/58/81/14/963588114.db2.gz KCMZRXPOSZPQFR-UWVGGRQHSA-N 2 1 200.351 1.305 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCO[C@@H](C)C1 ZINC001168074092 963608473 /nfs/dbraw/zinc/60/84/73/963608473.db2.gz HCVJKZVKMHEISD-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP Nc1cc(N2CCCC[C@]23CCC[NH2+]C3)nc[nH+]1 ZINC001157473102 963623364 /nfs/dbraw/zinc/62/33/64/963623364.db2.gz QPVGCSVTNCTFGB-CYBMUJFWSA-N 2 1 247.346 1.171 20 0 BDADMP C[NH+](C)Cc1ccnc(N2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001158431094 963871659 /nfs/dbraw/zinc/87/16/59/963871659.db2.gz NJBLJNDJWBTFCN-CYBMUJFWSA-N 2 1 246.358 1.038 20 0 BDADMP C[C@@H](Nc1cc(C2CC2)cc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159500966 964117573 /nfs/dbraw/zinc/11/75/73/964117573.db2.gz UIFWTKUWGOFYRB-MFKMUULPSA-N 2 1 247.342 1.748 20 0 BDADMP N[C@H](CCC[NH3+])Nc1cc(N2CCCC2)cc[nH+]1 ZINC001159786581 964201118 /nfs/dbraw/zinc/20/11/18/964201118.db2.gz DZBOQCLLULBAPM-LBPRGKRZSA-N 2 1 249.362 1.117 20 0 BDADMP c1[nH]c2ccc(NC3=CC[NH2+]C3)cc2[nH+]1 ZINC001160223969 964264244 /nfs/dbraw/zinc/26/42/44/964264244.db2.gz MZVPOEFFMLLXIE-UHFFFAOYSA-N 2 1 200.245 1.462 20 0 BDADMP c1[nH]c2ccc(NC3=CCC[NH2+]C3)cc2[nH+]1 ZINC001160224185 964267995 /nfs/dbraw/zinc/26/79/95/964267995.db2.gz PTHRUCUJMPWMFD-UHFFFAOYSA-N 2 1 214.272 1.852 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(N)[nH+]cn1)C2 ZINC001160472515 964311080 /nfs/dbraw/zinc/31/10/80/964311080.db2.gz FMDNCURZGJKCHX-RTCCRHLQSA-N 2 1 247.346 1.486 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(N)[nH+]cn1)C2 ZINC001160472515 964311091 /nfs/dbraw/zinc/31/10/91/964311091.db2.gz FMDNCURZGJKCHX-RTCCRHLQSA-N 2 1 247.346 1.486 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168303731 964398435 /nfs/dbraw/zinc/39/84/35/964398435.db2.gz AUGVROVTSDQYBA-HIFPTAJRSA-N 3 1 227.396 1.386 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CC[C@H]1O ZINC001168313699 964414357 /nfs/dbraw/zinc/41/43/57/964414357.db2.gz GDQXETHIGICRHB-BLYZHGLHSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1COCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315484 964426980 /nfs/dbraw/zinc/42/69/80/964426980.db2.gz WEFHVSSWVAWRCL-HIFPTAJRSA-N 2 1 226.364 1.580 20 0 BDADMP COC[C@@H]1CCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315500 964428198 /nfs/dbraw/zinc/42/81/98/964428198.db2.gz WTVMBTQQLWGYJO-RUXDESIVSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(NC/C=C/C[NH3+])c12 ZINC001160977429 964467471 /nfs/dbraw/zinc/46/74/71/964467471.db2.gz NJJFFUUTBJXJSX-NSCUHMNNSA-N 2 1 217.276 1.145 20 0 BDADMP Nc1cccc(N[C@H]2CC[N@@H+](C3CCC3)C2)[nH+]1 ZINC001161175581 964548715 /nfs/dbraw/zinc/54/87/15/964548715.db2.gz KYBAGVVFLQRRAM-JTQLQIEISA-N 2 1 232.331 1.703 20 0 BDADMP Nc1cccc(N[C@H]2CC[N@H+](C3CCC3)C2)[nH+]1 ZINC001161175581 964548719 /nfs/dbraw/zinc/54/87/19/964548719.db2.gz KYBAGVVFLQRRAM-JTQLQIEISA-N 2 1 232.331 1.703 20 0 BDADMP C[C@H](CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC000697868649 964594212 /nfs/dbraw/zinc/59/42/12/964594212.db2.gz CBMWVXJZADOWTG-LLVKDONJSA-N 2 1 207.321 1.511 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cccn1C)[NH+](C)C ZINC000697877571 964604512 /nfs/dbraw/zinc/60/45/12/964604512.db2.gz AVIJACVWMLIARF-NSHDSACASA-N 2 1 209.337 1.455 20 0 BDADMP C[C@@H]1CN(C2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1C ZINC000200371688 964617081 /nfs/dbraw/zinc/61/70/81/964617081.db2.gz JKTGXGIADAUSJH-TXEJJXNPSA-N 2 1 225.380 1.105 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CO[C@@H]1C[NH+]2CCC1CC2 ZINC001224700899 964885315 /nfs/dbraw/zinc/88/53/15/964885315.db2.gz BVPHTCKMTDXHIU-ZIAGYGMSSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CO[C@@H]1CCC[NH+](C)CC1 ZINC001224703175 964890501 /nfs/dbraw/zinc/89/05/01/964890501.db2.gz QUKZZFPQOUQZTK-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCCC[C@@H]1CO[C@@H]1CCC[N@H+](C)CC1 ZINC001224703175 964890507 /nfs/dbraw/zinc/89/05/07/964890507.db2.gz QUKZZFPQOUQZTK-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCCC[C@@H]1CO[C@@H]1CCC[N@@H+](C)CC1 ZINC001224703175 964890515 /nfs/dbraw/zinc/89/05/15/964890515.db2.gz QUKZZFPQOUQZTK-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CC[C@@H](OC[C@H]2CCCC[NH+]2C)C1 ZINC001224704452 964890606 /nfs/dbraw/zinc/89/06/06/964890606.db2.gz YXEVTHAJHSAGNP-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CC[C@@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224704452 964890612 /nfs/dbraw/zinc/89/06/12/964890612.db2.gz YXEVTHAJHSAGNP-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+]1CC[C@@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224704452 964890617 /nfs/dbraw/zinc/89/06/17/964890617.db2.gz YXEVTHAJHSAGNP-VXGBXAGGSA-N 2 1 212.337 1.191 20 0 BDADMP COc1[nH+]ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1N ZINC001162396569 964955720 /nfs/dbraw/zinc/95/57/20/964955720.db2.gz LKIJHSJXAZPVNU-RKDXNWHRSA-N 2 1 236.319 1.354 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](Nc2c[nH+]c3c(c2)CCCN3)C1 ZINC001162405807 964965102 /nfs/dbraw/zinc/96/51/02/964965102.db2.gz WWUCIDUWAHGXGN-NEPJUHHUSA-N 2 1 246.358 1.409 20 0 BDADMP C1=C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000698207861 965107820 /nfs/dbraw/zinc/10/78/20/965107820.db2.gz XXPBARLRXZLXGV-LLVKDONJSA-N 2 1 206.333 1.921 20 0 BDADMP CCc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)cc(C)[nH+]1 ZINC001162796577 965181974 /nfs/dbraw/zinc/18/19/74/965181974.db2.gz FLOOJFFHXDWKPK-GRYCIOLGSA-N 2 1 244.342 1.533 20 0 BDADMP COc1ccc(C)[nH+]c1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162791906 965183087 /nfs/dbraw/zinc/18/30/87/965183087.db2.gz FCAMXBZUELYFIZ-SDDRHHMPSA-N 2 1 245.326 1.585 20 0 BDADMP Cc1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)[nH+]c1 ZINC001163079552 965253469 /nfs/dbraw/zinc/25/34/69/965253469.db2.gz BQTCNWJWESPVCY-GFCCVEGCSA-N 2 1 247.342 1.571 20 0 BDADMP CC(C)N(c1cc(N)[nH+]cn1)C(C)(C)C[NH3+] ZINC001163189362 965297009 /nfs/dbraw/zinc/29/70/09/965297009.db2.gz PXGYPXWAPLPNQS-UHFFFAOYSA-N 2 1 223.324 1.011 20 0 BDADMP c1cn2cccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2[nH+]1 ZINC001163262483 965320642 /nfs/dbraw/zinc/32/06/42/965320642.db2.gz BVAAHPNWIZOSKX-WOPDTQHZSA-N 2 1 242.326 1.744 20 0 BDADMP c1[nH+]cn2cccc(N[C@H]3C[NH+]4CCC3CC4)c12 ZINC001163395893 965392024 /nfs/dbraw/zinc/39/20/24/965392024.db2.gz ZDECJXCVHIEABI-ZDUSSCGKSA-N 2 1 242.326 1.840 20 0 BDADMP C[C@@H](C[NH+](C)C)Nc1c[nH+]c2c(c1)CCCN2 ZINC001163785911 965590804 /nfs/dbraw/zinc/59/08/04/965590804.db2.gz JODIFIYETKJYOF-JTQLQIEISA-N 2 1 234.347 1.089 20 0 BDADMP CC1(Nc2nc(N3CC[NH2+]CC3)cc[nH+]2)CCC1 ZINC001164025242 965698792 /nfs/dbraw/zinc/69/87/92/965698792.db2.gz LODWBRIEHYKINY-UHFFFAOYSA-N 2 1 247.346 1.241 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)[nH]n1 ZINC001205094287 965726517 /nfs/dbraw/zinc/72/65/17/965726517.db2.gz LAORLHOKFKTYTD-SNVBAGLBSA-N 2 1 208.309 1.031 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)[nH]n1 ZINC001205094287 965726525 /nfs/dbraw/zinc/72/65/25/965726525.db2.gz LAORLHOKFKTYTD-SNVBAGLBSA-N 2 1 208.309 1.031 20 0 BDADMP CCc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)on1 ZINC001205095196 965741494 /nfs/dbraw/zinc/74/14/94/965741494.db2.gz VDRBOGFAYPETJX-SNVBAGLBSA-N 2 1 223.320 1.550 20 0 BDADMP CCc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)on1 ZINC001205095196 965741500 /nfs/dbraw/zinc/74/15/00/965741500.db2.gz VDRBOGFAYPETJX-SNVBAGLBSA-N 2 1 223.320 1.550 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095598 965756198 /nfs/dbraw/zinc/75/61/98/965756198.db2.gz ZYVHNDSBKBYGKP-GFCCVEGCSA-N 2 1 222.336 1.042 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3n[nH]cc32)CC1 ZINC001205109919 965828087 /nfs/dbraw/zinc/82/80/87/965828087.db2.gz NBAKTAWMLOZPKS-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001205109723 965828290 /nfs/dbraw/zinc/82/82/90/965828290.db2.gz KBVBTHLRDMECLY-GFCCVEGCSA-N 2 1 244.342 1.648 20 0 BDADMP Cc1c[nH+]c(N2CCC(F)(F)[C@H]([NH3+])C2)cc1N ZINC001164322980 965847186 /nfs/dbraw/zinc/84/71/86/965847186.db2.gz IHWONMRYMISYSA-SECBINFHSA-N 2 1 242.273 1.145 20 0 BDADMP C[C@H]1CC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235039694 965989698 /nfs/dbraw/zinc/98/96/98/965989698.db2.gz XMPUGZMZCVSXPY-AUZPSNTRSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001235039694 965989705 /nfs/dbraw/zinc/98/97/05/965989705.db2.gz XMPUGZMZCVSXPY-AUZPSNTRSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1C[NH3+] ZINC001205140831 966022330 /nfs/dbraw/zinc/02/23/30/966022330.db2.gz OQZREEFAUMXJJV-GXTWGEPZSA-N 2 1 247.386 1.779 20 0 BDADMP C[C@H]([NH3+])CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001235808744 966119238 /nfs/dbraw/zinc/11/92/38/966119238.db2.gz GEHLTOTUUBFBFN-ZDUSSCGKSA-N 2 1 245.370 1.294 20 0 BDADMP C[C@H]([NH3+])CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001235808744 966119250 /nfs/dbraw/zinc/11/92/50/966119250.db2.gz GEHLTOTUUBFBFN-ZDUSSCGKSA-N 2 1 245.370 1.294 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235978310 966187400 /nfs/dbraw/zinc/18/74/00/966187400.db2.gz KGHMBXGVGPZUQB-NDKCEZKHSA-N 2 1 218.344 1.622 20 0 BDADMP CS[C@H](C)CC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235977342 966193957 /nfs/dbraw/zinc/19/39/57/966193957.db2.gz GNKBZPKWERSWEM-OUAUKWLOSA-N 2 1 214.378 1.551 20 0 BDADMP CCc1[nH]c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(C)[nH+]1 ZINC001236575307 966455261 /nfs/dbraw/zinc/45/52/61/966455261.db2.gz HZVCRGBMDDIBGI-UWVGGRQHSA-N 2 1 236.363 1.463 20 0 BDADMP Cc1[nH]c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c(C)[nH+]1 ZINC001237413453 966658271 /nfs/dbraw/zinc/65/82/71/966658271.db2.gz IKVATTHQRTXKGG-QWHCGFSZSA-N 2 1 248.374 1.600 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210620 966846065 /nfs/dbraw/zinc/84/60/65/966846065.db2.gz QDXIWKMPWPWURP-RYUDHWBXSA-N 2 1 246.420 1.304 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001204009765 966848995 /nfs/dbraw/zinc/84/89/95/966848995.db2.gz DJZHAMDXJPIEKM-CYBMUJFWSA-N 2 1 219.332 1.542 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001204009765 966849001 /nfs/dbraw/zinc/84/90/01/966849001.db2.gz DJZHAMDXJPIEKM-CYBMUJFWSA-N 2 1 219.332 1.542 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001204009765 966849009 /nfs/dbraw/zinc/84/90/09/966849009.db2.gz DJZHAMDXJPIEKM-CYBMUJFWSA-N 2 1 219.332 1.542 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001204009765 966849014 /nfs/dbraw/zinc/84/90/14/966849014.db2.gz DJZHAMDXJPIEKM-CYBMUJFWSA-N 2 1 219.332 1.542 20 0 BDADMP CC/C=C\CCC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210908 966852685 /nfs/dbraw/zinc/85/26/85/966852685.db2.gz SSAMFPPMDZPCCM-VQTKUKTRSA-N 2 1 240.391 1.909 20 0 BDADMP Cc1cccc(C[N@@H+](C)C2CCN(C)CC2)n1 ZINC001204066368 966874344 /nfs/dbraw/zinc/87/43/44/966874344.db2.gz SCRXPEZUUDOOAU-UHFFFAOYSA-N 2 1 233.359 1.916 20 0 BDADMP Cc1cccc(C[N@H+](C)C2CCN(C)CC2)n1 ZINC001204066368 966874350 /nfs/dbraw/zinc/87/43/50/966874350.db2.gz SCRXPEZUUDOOAU-UHFFFAOYSA-N 2 1 233.359 1.916 20 0 BDADMP COC1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CCCC1 ZINC000692422295 966876445 /nfs/dbraw/zinc/87/64/45/966876445.db2.gz FLOQLIJPSAJNCX-GFCCVEGCSA-N 2 1 226.364 1.616 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@@H]2C1 ZINC001204089816 966889779 /nfs/dbraw/zinc/88/97/79/966889779.db2.gz RKENJFLURRXQGD-RVMXOQNASA-N 2 1 240.416 1.669 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC001204144233 966902988 /nfs/dbraw/zinc/90/29/88/966902988.db2.gz FJTPKRYFRLQLGT-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP CCC1(Nc2cc[nH+]c(C)c2F)C[NH2+]C1 ZINC001168582445 966923942 /nfs/dbraw/zinc/92/39/42/966923942.db2.gz PKIQRZPDSCIYFB-UHFFFAOYSA-N 2 1 209.268 1.115 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204598610 967096428 /nfs/dbraw/zinc/09/64/28/967096428.db2.gz MDPCOSOQXVUXGM-TUAOUCFPSA-N 2 1 226.364 1.974 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204598610 967096440 /nfs/dbraw/zinc/09/64/40/967096440.db2.gz MDPCOSOQXVUXGM-TUAOUCFPSA-N 2 1 226.364 1.974 20 0 BDADMP C[C@]1([NH3+])CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001204792152 967171849 /nfs/dbraw/zinc/17/18/49/967171849.db2.gz UDXGDBAMORGKSE-ZDUSSCGKSA-N 2 1 230.315 1.257 20 0 BDADMP CCOC(=O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715584801 967193401 /nfs/dbraw/zinc/19/34/01/967193401.db2.gz RKNBPHYYHNTKMV-UHFFFAOYSA-N 2 1 228.336 1.012 20 0 BDADMP CCC[N@@H+](CCO)CC1CC[NH+](C)CC1 ZINC000691347533 967253691 /nfs/dbraw/zinc/25/36/91/967253691.db2.gz GNRMDNRPYSSAQV-UHFFFAOYSA-N 2 1 214.353 1.033 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000691348313 967254782 /nfs/dbraw/zinc/25/47/82/967254782.db2.gz JAHFQQBFHZKIRW-LBPRGKRZSA-N 2 1 226.364 1.173 20 0 BDADMP CS[C@H](C)CC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094816 967340468 /nfs/dbraw/zinc/34/04/68/967340468.db2.gz QKZQCTUTWIIATB-GHMZBOCLSA-N 2 1 216.394 1.941 20 0 BDADMP CCc1nccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205093853 967341133 /nfs/dbraw/zinc/34/11/33/967341133.db2.gz GPYLDRQRXHGXHV-NSHDSACASA-N 2 1 234.347 1.352 20 0 BDADMP CCc1nccc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205093853 967341137 /nfs/dbraw/zinc/34/11/37/967341137.db2.gz GPYLDRQRXHGXHV-NSHDSACASA-N 2 1 234.347 1.352 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3ncccc23)CC1 ZINC001205101408 967347475 /nfs/dbraw/zinc/34/74/75/967347475.db2.gz FCDZLMAYQRNIDX-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205101676 967347771 /nfs/dbraw/zinc/34/77/71/967347771.db2.gz IWFOETSWVWWAKJ-ZDUSSCGKSA-N 2 1 236.363 1.777 20 0 BDADMP CC(C)n1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205101676 967347782 /nfs/dbraw/zinc/34/77/82/967347782.db2.gz IWFOETSWVWWAKJ-ZDUSSCGKSA-N 2 1 236.363 1.777 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(CF)n2)CC1 ZINC001205116921 967363717 /nfs/dbraw/zinc/36/37/17/967363717.db2.gz JDICQDLYFDCODN-LLVKDONJSA-N 2 1 237.322 1.864 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(CF)n2)CC1 ZINC001205116921 967363729 /nfs/dbraw/zinc/36/37/29/967363729.db2.gz JDICQDLYFDCODN-LLVKDONJSA-N 2 1 237.322 1.864 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C2CC2)n1 ZINC001205117538 967366652 /nfs/dbraw/zinc/36/66/52/967366652.db2.gz QKNYBRDDUCVVLE-ZDUSSCGKSA-N 2 1 248.374 1.611 20 0 BDADMP Nc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1F ZINC001205124345 967370932 /nfs/dbraw/zinc/37/09/32/967370932.db2.gz OPWJFHKHCLJEGX-NSHDSACASA-N 2 1 237.322 1.721 20 0 BDADMP Nc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124430 967372482 /nfs/dbraw/zinc/37/24/82/967372482.db2.gz RHLZTASBCPLZSF-GFCCVEGCSA-N 2 1 219.332 1.582 20 0 BDADMP C[C@H](C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)C(F)(F)F ZINC001205130852 967378395 /nfs/dbraw/zinc/37/83/95/967378395.db2.gz MJOCPMIJZASZSG-DJLDLDEBSA-N 2 1 224.270 1.711 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCCCC(F)(F)C1 ZINC001205156226 967393531 /nfs/dbraw/zinc/39/35/31/967393531.db2.gz TXODAVQYZSMACK-UHFFFAOYSA-N 2 1 206.280 1.847 20 0 BDADMP [NH3+]CCCC[N@H+]1CCCCC(F)(F)C1 ZINC001205156226 967393542 /nfs/dbraw/zinc/39/35/42/967393542.db2.gz TXODAVQYZSMACK-UHFFFAOYSA-N 2 1 206.280 1.847 20 0 BDADMP Cc1cnc(F)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205151050 967395590 /nfs/dbraw/zinc/39/55/90/967395590.db2.gz OAYVRNAXRABBOY-CMPLNLGQSA-N 2 1 237.322 1.556 20 0 BDADMP Cc1cnc(F)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205151050 967395599 /nfs/dbraw/zinc/39/55/99/967395599.db2.gz OAYVRNAXRABBOY-CMPLNLGQSA-N 2 1 237.322 1.556 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205264063 967455930 /nfs/dbraw/zinc/45/59/30/967455930.db2.gz HLECIGKICVHAFK-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205264063 967455941 /nfs/dbraw/zinc/45/59/41/967455941.db2.gz HLECIGKICVHAFK-AWEZNQCLSA-N 2 1 249.358 1.794 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc[nH]c2=O)CC1 ZINC001205263950 967459071 /nfs/dbraw/zinc/45/90/71/967459071.db2.gz GFQRZJXNFDNYQZ-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCCCCO)CC1 ZINC001205539426 967684176 /nfs/dbraw/zinc/68/41/76/967684176.db2.gz YWIXPVFXBPEDJU-LBPRGKRZSA-N 2 1 232.343 1.302 20 0 BDADMP Cn1cncc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545373 967685199 /nfs/dbraw/zinc/68/51/99/967685199.db2.gz FUVWIMORNXLVAS-GFCCVEGCSA-N 2 1 240.326 1.073 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCC2(C)OCCO2)CC1 ZINC000715917187 967711252 /nfs/dbraw/zinc/71/12/52/967711252.db2.gz LVIZMIGDILVWIO-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP COCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205603117 967717005 /nfs/dbraw/zinc/71/70/05/967717005.db2.gz NUCVDPIXFQWBHK-QWHCGFSZSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC=CO2)CC[C@H]1C[NH3+] ZINC001205602264 967717607 /nfs/dbraw/zinc/71/76/07/967717607.db2.gz IDXOLPBOHGMGAV-HZSPNIEDSA-N 2 1 238.375 1.986 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccns2)CC[C@@H]1C[NH3+] ZINC001205637902 967736809 /nfs/dbraw/zinc/73/68/09/967736809.db2.gz JUFNEAMZLPJNKB-WDEREUQCSA-N 2 1 239.388 1.950 20 0 BDADMP CCO[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000701738527 967818881 /nfs/dbraw/zinc/81/88/81/967818881.db2.gz KUHNESZMROOSBH-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000701738527 967818884 /nfs/dbraw/zinc/81/88/84/967818884.db2.gz KUHNESZMROOSBH-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205843932 967850595 /nfs/dbraw/zinc/85/05/95/967850595.db2.gz UVNBWVURQHNYRB-GWCFXTLKSA-N 2 1 249.358 1.655 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205843932 967850599 /nfs/dbraw/zinc/85/05/99/967850599.db2.gz UVNBWVURQHNYRB-GWCFXTLKSA-N 2 1 249.358 1.655 20 0 BDADMP CS[C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205863427 967863965 /nfs/dbraw/zinc/86/39/65/967863965.db2.gz SCAHYUUPGHOGBC-MXWKQRLJSA-N 2 1 216.394 1.797 20 0 BDADMP COC1CC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000703882910 967882236 /nfs/dbraw/zinc/88/22/36/967882236.db2.gz YIQMFJWXDSDSDA-NMHYENAYSA-N 2 1 238.375 1.471 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1C ZINC001205946443 967895915 /nfs/dbraw/zinc/89/59/15/967895915.db2.gz MFKJUKMDGWBQAZ-ZIAGYGMSSA-N 2 1 234.343 1.197 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1C ZINC001205946443 967895917 /nfs/dbraw/zinc/89/59/17/967895917.db2.gz MFKJUKMDGWBQAZ-ZIAGYGMSSA-N 2 1 234.343 1.197 20 0 BDADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC001205946970 967895981 /nfs/dbraw/zinc/89/59/81/967895981.db2.gz UQNHJXKBKGKNHW-MRVWCRGKSA-N 2 1 234.343 1.184 20 0 BDADMP CCC1(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)COC1 ZINC001205981485 967924063 /nfs/dbraw/zinc/92/40/63/967924063.db2.gz DSMCPRSJNVYKEY-CHWSQXEVSA-N 2 1 240.391 1.720 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCC[C@@H]1C[NH3+] ZINC001205985620 967931095 /nfs/dbraw/zinc/93/10/95/967931095.db2.gz YZOUREBUGYTQEL-JHJVBQTASA-N 2 1 226.364 1.330 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205985672 967944000 /nfs/dbraw/zinc/94/40/00/967944000.db2.gz ZMBJLNLPKWEANY-STQMWFEESA-N 2 1 228.380 1.720 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncs2)CCC[C@@H]1C[NH3+] ZINC001205996770 967948869 /nfs/dbraw/zinc/94/88/69/967948869.db2.gz YGEZUZZGWPNEKO-WDEREUQCSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ncco2)CCC[C@H]1C[NH3+] ZINC001206003764 967959719 /nfs/dbraw/zinc/95/97/19/967959719.db2.gz MHWLPEXEWKKADE-QWRGUYRKSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2N)CCC[C@@H]1C[NH3+] ZINC001206003239 967962770 /nfs/dbraw/zinc/96/27/70/967962770.db2.gz FYNABMKKXFYRSY-NWDGAFQWSA-N 2 1 248.374 1.471 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001206037862 968002351 /nfs/dbraw/zinc/00/23/51/968002351.db2.gz YIORQBNFWIZVNZ-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001206037862 968002364 /nfs/dbraw/zinc/00/23/64/968002364.db2.gz YIORQBNFWIZVNZ-JHJVBQTASA-N 2 1 225.380 1.045 20 0 BDADMP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206053306 968022808 /nfs/dbraw/zinc/02/28/08/968022808.db2.gz QOLVTBMJUNKYCL-IJLUTSLNSA-N 2 1 242.363 1.245 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC2CC2)CC[C@H]1F ZINC001206152689 968091697 /nfs/dbraw/zinc/09/16/97/968091697.db2.gz AIKNDBKAPXZKJD-GHMZBOCLSA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC2CC2)CC[C@H]1F ZINC001206152689 968091704 /nfs/dbraw/zinc/09/17/04/968091704.db2.gz AIKNDBKAPXZKJD-GHMZBOCLSA-N 2 1 200.301 1.548 20 0 BDADMP Cc1nc([C@H]2CCC[N@@H+](CCCC[NH3+])C2)no1 ZINC001206285761 968196902 /nfs/dbraw/zinc/19/69/02/968196902.db2.gz NXDUREFTOPORNA-NSHDSACASA-N 2 1 238.335 1.296 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206304200 968210860 /nfs/dbraw/zinc/21/08/60/968210860.db2.gz HEDDXIWJLXAAQN-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP Cn1cnc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206305463 968212763 /nfs/dbraw/zinc/21/27/63/968212763.db2.gz ZVSHHZUYWPALPM-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP c1cn2c([nH+]1)CC[C@H](OCC[NH+]1CCCC1)C2 ZINC001206308329 968216294 /nfs/dbraw/zinc/21/62/94/968216294.db2.gz ANGWRHGZKDLRAS-LBPRGKRZSA-N 2 1 235.331 1.310 20 0 BDADMP C[NH+](C)CCC(C)(C)[NH2+]C[C@H](O)C(F)(F)F ZINC001250996062 968241306 /nfs/dbraw/zinc/24/13/06/968241306.db2.gz PISFDUKUIMBIPY-QMMMGPOBSA-N 2 1 242.285 1.230 20 0 BDADMP [NH3+][C@@H]1C[C@@H](F)CN(Cc2[nH+]cn3ccccc23)C1 ZINC001206434281 968303734 /nfs/dbraw/zinc/30/37/34/968303734.db2.gz HWNREPKEMPHWNS-GHMZBOCLSA-N 2 1 248.305 1.205 20 0 BDADMP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206457945 968319205 /nfs/dbraw/zinc/31/92/05/968319205.db2.gz VPPNACOKRJHPKT-RFQIPJPRSA-N 2 1 238.375 1.230 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)CC)C[C@@H]2C1 ZINC001251782569 968324717 /nfs/dbraw/zinc/32/47/17/968324717.db2.gz JFSNLQUOIRVTRL-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)CC)C[C@@H]2C1 ZINC001251782569 968324723 /nfs/dbraw/zinc/32/47/23/968324723.db2.gz JFSNLQUOIRVTRL-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H](O)CC)C[C@@H]2C1 ZINC001251782569 968324728 /nfs/dbraw/zinc/32/47/28/968324728.db2.gz JFSNLQUOIRVTRL-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1O ZINC001206519068 968349433 /nfs/dbraw/zinc/34/94/33/968349433.db2.gz HSQGIRKZVRKODE-ZFWWWQNUSA-N 2 1 246.354 1.315 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541958 968356167 /nfs/dbraw/zinc/35/61/67/968356167.db2.gz OGPFPCFPXOGRAC-YPMHNXCESA-N 2 1 242.363 1.246 20 0 BDADMP COCCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542042 968369345 /nfs/dbraw/zinc/36/93/45/968369345.db2.gz PTOULQQAIRBERY-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556039 968381288 /nfs/dbraw/zinc/38/12/88/968381288.db2.gz MOMYKEGKYTUJPK-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1nccnc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206556039 968381292 /nfs/dbraw/zinc/38/12/92/968381292.db2.gz MOMYKEGKYTUJPK-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cncc(O)c2)C1 ZINC001206565595 968388411 /nfs/dbraw/zinc/38/84/11/968388411.db2.gz USKUHOMKQZIYTB-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001206565595 968388418 /nfs/dbraw/zinc/38/84/18/968388418.db2.gz USKUHOMKQZIYTB-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206606363 968413208 /nfs/dbraw/zinc/41/32/08/968413208.db2.gz LUHZGRSDUTYJQE-CYBMUJFWSA-N 2 1 225.380 1.047 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001206606355 968414936 /nfs/dbraw/zinc/41/49/36/968414936.db2.gz LOENEQPXXQTRJN-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001206606355 968414943 /nfs/dbraw/zinc/41/49/43/968414943.db2.gz LOENEQPXXQTRJN-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP Cc1[nH+]ccn1-c1ccc(C2=CCC[NH2+]C2)nn1 ZINC001240657294 968624169 /nfs/dbraw/zinc/62/41/69/968624169.db2.gz WIGKOMKWTJFEKM-UHFFFAOYSA-N 2 1 241.298 1.347 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CCCO1 ZINC001207276118 968710719 /nfs/dbraw/zinc/71/07/19/968710719.db2.gz UYAKQPJCPALDAG-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207280354 968711249 /nfs/dbraw/zinc/71/12/49/968711249.db2.gz WDLKJNYSFGTPDE-LLVKDONJSA-N 2 1 214.353 1.295 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC2(COC2)C1 ZINC001207280278 968711711 /nfs/dbraw/zinc/71/17/11/968711711.db2.gz SUOLVKGRSISIKL-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275411 968713929 /nfs/dbraw/zinc/71/39/29/968713929.db2.gz NJVZLUOAGKPOME-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@]1(C)O ZINC001207392050 968744391 /nfs/dbraw/zinc/74/43/91/968744391.db2.gz VJPDLGMRMGPNQC-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP Cn1cnc2c1C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207401926 968751540 /nfs/dbraw/zinc/75/15/40/968751540.db2.gz SWBPQEVYEHLYKT-UHFFFAOYSA-N 2 1 248.374 1.120 20 0 BDADMP F[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC1(F)F ZINC001207436916 968758070 /nfs/dbraw/zinc/75/80/70/968758070.db2.gz WVSZVFTZRIAZOM-JTQLQIEISA-N 2 1 236.281 1.665 20 0 BDADMP C[C@]1(CO)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436474 968769152 /nfs/dbraw/zinc/76/91/52/968769152.db2.gz JCPDDYOMVHNPRM-AWEZNQCLSA-N 2 1 240.391 1.471 20 0 BDADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001207479014 968794750 /nfs/dbraw/zinc/79/47/50/968794750.db2.gz ARVUCGYAMMUJLH-BETUJISGSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479402 968795262 /nfs/dbraw/zinc/79/52/62/968795262.db2.gz IBXUJABFSPSGAV-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)CC1COC1 ZINC001207486018 968796379 /nfs/dbraw/zinc/79/63/79/968796379.db2.gz BEKJGFZNOJCREP-UHFFFAOYSA-N 2 1 226.364 1.297 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCn3cncc3C2)CC1 ZINC001207486403 968796645 /nfs/dbraw/zinc/79/66/45/968796645.db2.gz HNJYRKVJGWYPTK-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001207487253 968796684 /nfs/dbraw/zinc/79/66/84/968796684.db2.gz VFPKBXFTVCAKQF-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1cnccn1 ZINC001207485573 968796927 /nfs/dbraw/zinc/79/69/27/968796927.db2.gz WZRNLTCIFNGBLJ-UHFFFAOYSA-N 2 1 248.374 1.640 20 0 BDADMP CN1CC[C@H]([N@@H+](C)CCC2CC[NH+](C)CC2)C1 ZINC001207485214 968799560 /nfs/dbraw/zinc/79/95/60/968799560.db2.gz URVDWMYVYRJXKC-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001207835419 968895311 /nfs/dbraw/zinc/89/53/11/968895311.db2.gz CBQBETLIYSJQOA-FDYHWXHSSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)CC[C@@H]1O ZINC001208107060 968995554 /nfs/dbraw/zinc/99/55/54/968995554.db2.gz IXDVPQDIJWMULV-STQMWFEESA-N 2 1 240.391 1.421 20 0 BDADMP CCOC(=O)C[N@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208106348 969000762 /nfs/dbraw/zinc/00/07/62/969000762.db2.gz DMRUUGVWBONYGR-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)C[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208106348 969000768 /nfs/dbraw/zinc/00/07/68/969000768.db2.gz DMRUUGVWBONYGR-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208109615 969006401 /nfs/dbraw/zinc/00/64/01/969006401.db2.gz QJDWNJVZKXZDSM-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1cc(C2=CCC[N@H+](C)C2)nc2c1C[NH2+]CC2 ZINC001241565628 969052421 /nfs/dbraw/zinc/05/24/21/969052421.db2.gz LIGNIJMVTNLIQE-UHFFFAOYSA-N 2 1 243.354 1.755 20 0 BDADMP CC[NH+](CC)C[C@@H](O)CNc1ccc(C)c[nH+]1 ZINC001253175185 969096791 /nfs/dbraw/zinc/09/67/91/969096791.db2.gz XRXUPMKSAAUATM-LBPRGKRZSA-N 2 1 237.347 1.505 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253187629 969103447 /nfs/dbraw/zinc/10/34/47/969103447.db2.gz FXAADIBSANZMMY-RVMXOQNASA-N 2 1 244.354 1.121 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253187629 969103441 /nfs/dbraw/zinc/10/34/41/969103441.db2.gz FXAADIBSANZMMY-RVMXOQNASA-N 2 1 244.354 1.121 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCOC[C@@H](C)C2)CC1 ZINC001208593612 969148216 /nfs/dbraw/zinc/14/82/16/969148216.db2.gz XZEXTAVMWPBGIQ-ZDUSSCGKSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCO[C@H](C)C2)CC1 ZINC001208593137 969151230 /nfs/dbraw/zinc/15/12/30/969151230.db2.gz ODWUQSSGNRRORA-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CC2CC(C2)C1 ZINC001253395654 969153958 /nfs/dbraw/zinc/15/39/58/969153958.db2.gz JXBAVELLCYJFKK-HTAVTVPLSA-N 2 1 226.364 1.077 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001208601652 969156755 /nfs/dbraw/zinc/15/67/55/969156755.db2.gz PHHZXNYCIIXODB-UONOGXRCSA-N 2 1 238.375 1.439 20 0 BDADMP Cc1[nH+]cc2n1CCN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208607241 969161630 /nfs/dbraw/zinc/16/16/30/969161630.db2.gz KSRDPKWPVYSVPR-CYBMUJFWSA-N 2 1 248.374 1.349 20 0 BDADMP Cc1[nH+]cc2n1CCN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208607241 969161635 /nfs/dbraw/zinc/16/16/35/969161635.db2.gz KSRDPKWPVYSVPR-CYBMUJFWSA-N 2 1 248.374 1.349 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)CC1 ZINC001208613444 969168876 /nfs/dbraw/zinc/16/88/76/969168876.db2.gz UGJZPRXRUDXUAP-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208613444 969168881 /nfs/dbraw/zinc/16/88/81/969168881.db2.gz UGJZPRXRUDXUAP-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208613444 969168884 /nfs/dbraw/zinc/16/88/84/969168884.db2.gz UGJZPRXRUDXUAP-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCOC(C)(C)C2)C1 ZINC001208613455 969172597 /nfs/dbraw/zinc/17/25/97/969172597.db2.gz UKVLAVSRMAHPOA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCOC(C)(C)C2)C1 ZINC001208613455 969172598 /nfs/dbraw/zinc/17/25/98/969172598.db2.gz UKVLAVSRMAHPOA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCOC(C)(C)C2)C1 ZINC001208613455 969172603 /nfs/dbraw/zinc/17/26/03/969172603.db2.gz UKVLAVSRMAHPOA-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@H+](C)C1CC[NH+](C[C@@H](C)C(=O)OC)CC1 ZINC001208726596 969212055 /nfs/dbraw/zinc/21/20/55/969212055.db2.gz PPASXODXVKXKAP-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@@H](C)C(=O)OC)CC1 ZINC001208726596 969212061 /nfs/dbraw/zinc/21/20/61/969212061.db2.gz PPASXODXVKXKAP-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccn2)CCC[C@@H]1C[NH3+] ZINC001205993141 969222496 /nfs/dbraw/zinc/22/24/96/969222496.db2.gz HIFURAUWABYOMJ-QWHCGFSZSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnccn2)CCC[C@H]1C[NH3+] ZINC001205993134 969223307 /nfs/dbraw/zinc/22/33/07/969223307.db2.gz GZJFMIGMNZLAAU-RYUDHWBXSA-N 2 1 234.347 1.283 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205996356 969345416 /nfs/dbraw/zinc/34/54/16/969345416.db2.gz WKENIJWCJTXTKC-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205996356 969345423 /nfs/dbraw/zinc/34/54/23/969345423.db2.gz WKENIJWCJTXTKC-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205996356 969345429 /nfs/dbraw/zinc/34/54/29/969345429.db2.gz WKENIJWCJTXTKC-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP CSCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093019 969384144 /nfs/dbraw/zinc/38/41/44/969384144.db2.gz DWMMZQFDISMOQQ-ZSBIGDGJSA-N 2 1 228.405 1.954 20 0 BDADMP CCCN(CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169095378 969385943 /nfs/dbraw/zinc/38/59/43/969385943.db2.gz QMTFAEPPTPOPRT-WDNDVIMCSA-N 3 1 239.407 1.672 20 0 BDADMP Cc1cc(C[NH3+])nn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093589 969386906 /nfs/dbraw/zinc/38/69/06/969386906.db2.gz IUGGRRBKYJKYMO-CLLJXQQHSA-N 2 1 234.347 1.448 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096153 969387274 /nfs/dbraw/zinc/38/72/74/969387274.db2.gz VAEVIKBARYCQOI-FVCCEPFGSA-N 2 1 225.380 1.151 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169095306 969387446 /nfs/dbraw/zinc/38/74/46/969387446.db2.gz OZIIYFKESFVPLC-ZUWCUPBKSA-N 2 1 237.391 1.471 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169095306 969387450 /nfs/dbraw/zinc/38/74/50/969387450.db2.gz OZIIYFKESFVPLC-ZUWCUPBKSA-N 3 1 237.391 1.471 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169095306 969387457 /nfs/dbraw/zinc/38/74/57/969387457.db2.gz OZIIYFKESFVPLC-ZUWCUPBKSA-N 3 1 237.391 1.471 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100314 969390553 /nfs/dbraw/zinc/39/05/53/969390553.db2.gz IRLYORJWSNWTBA-YFKTTZPYSA-N 2 1 212.337 1.236 20 0 BDADMP COCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209209665 969396630 /nfs/dbraw/zinc/39/66/30/969396630.db2.gz DXJWCRFBNVOWSD-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(O)CCC1)C2 ZINC001169102286 969397219 /nfs/dbraw/zinc/39/72/19/969397219.db2.gz YXXNIFRSANPGLP-ZSBIGDGJSA-N 2 1 224.348 1.116 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079181 969398431 /nfs/dbraw/zinc/39/84/31/969398431.db2.gz JIPSHRNSPQVNPT-RNJOBUHISA-N 2 1 226.364 1.218 20 0 BDADMP COCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001169089653 969406369 /nfs/dbraw/zinc/40/63/69/969406369.db2.gz FIMZEIXGTPEAFY-CLLJXQQHSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCOC1)C2 ZINC001169091457 969409421 /nfs/dbraw/zinc/40/94/21/969409421.db2.gz ROKXXXGYSKOMCD-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOC[C@@H]1F)C2 ZINC001169119522 969412017 /nfs/dbraw/zinc/41/20/17/969412017.db2.gz SYWYNAHVZIPPQV-WJTVCTBASA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOC[C@@H]1F)C2 ZINC001169119522 969412025 /nfs/dbraw/zinc/41/20/25/969412025.db2.gz SYWYNAHVZIPPQV-WJTVCTBASA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccnc1CCC[NH3+])C2 ZINC001169122880 969419722 /nfs/dbraw/zinc/41/97/22/969419722.db2.gz FQZGBSPJNCFSLG-ITGUQSILSA-N 2 1 248.374 1.572 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C)(O)CC1)C2 ZINC001169126082 969423131 /nfs/dbraw/zinc/42/31/31/969423131.db2.gz OURJNNUEPLKUIV-ITGUQSILSA-N 2 1 238.375 1.458 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125976 969424005 /nfs/dbraw/zinc/42/40/05/969424005.db2.gz OJJOTOKQUWINKI-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125976 969424011 /nfs/dbraw/zinc/42/40/11/969424011.db2.gz OJJOTOKQUWINKI-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125976 969424016 /nfs/dbraw/zinc/42/40/16/969424016.db2.gz OJJOTOKQUWINKI-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125976 969424022 /nfs/dbraw/zinc/42/40/22/969424022.db2.gz OJJOTOKQUWINKI-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001169125381 969424070 /nfs/dbraw/zinc/42/40/70/969424070.db2.gz HMHNDUAAMNJCKF-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001169125381 969424072 /nfs/dbraw/zinc/42/40/72/969424072.db2.gz HMHNDUAAMNJCKF-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001169125381 969424077 /nfs/dbraw/zinc/42/40/77/969424077.db2.gz HMHNDUAAMNJCKF-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1CO)C2 ZINC001169125375 969426225 /nfs/dbraw/zinc/42/62/25/969426225.db2.gz HJWCUPWCAMKZEW-XQHKEYJVSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1CO)C2 ZINC001169125375 969426230 /nfs/dbraw/zinc/42/62/30/969426230.db2.gz HJWCUPWCAMKZEW-XQHKEYJVSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1CO)C2 ZINC001169125375 969426235 /nfs/dbraw/zinc/42/62/35/969426235.db2.gz HJWCUPWCAMKZEW-XQHKEYJVSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1CO)C2 ZINC001169125375 969426238 /nfs/dbraw/zinc/42/62/38/969426238.db2.gz HJWCUPWCAMKZEW-XQHKEYJVSA-N 2 1 224.348 1.068 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125846 969428724 /nfs/dbraw/zinc/42/87/24/969428724.db2.gz MLVATAGNAAVGCF-XHJNMGKDSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125846 969428730 /nfs/dbraw/zinc/42/87/30/969428730.db2.gz MLVATAGNAAVGCF-XHJNMGKDSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125846 969428736 /nfs/dbraw/zinc/42/87/36/969428736.db2.gz MLVATAGNAAVGCF-XHJNMGKDSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125846 969428742 /nfs/dbraw/zinc/42/87/42/969428742.db2.gz MLVATAGNAAVGCF-XHJNMGKDSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(CC(O)C3)C1)C2 ZINC001169126306 969433572 /nfs/dbraw/zinc/43/35/72/969433572.db2.gz RLQVHPKCBNRSEZ-ZSBIGDGJSA-N 2 1 236.359 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(CC(O)C3)C1)C2 ZINC001169126306 969433575 /nfs/dbraw/zinc/43/35/75/969433575.db2.gz RLQVHPKCBNRSEZ-ZSBIGDGJSA-N 2 1 236.359 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001169126830 969434747 /nfs/dbraw/zinc/43/47/47/969434747.db2.gz XXWBAOSZXDVMSB-NZEXEKPDSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001169126830 969434750 /nfs/dbraw/zinc/43/47/50/969434750.db2.gz XXWBAOSZXDVMSB-NZEXEKPDSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001169126830 969434753 /nfs/dbraw/zinc/43/47/53/969434753.db2.gz XXWBAOSZXDVMSB-NZEXEKPDSA-N 2 1 242.338 1.016 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H](O)C1)C2 ZINC001169126165 969434910 /nfs/dbraw/zinc/43/49/10/969434910.db2.gz QMCFDZHYPODNJJ-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H](O)C1)C2 ZINC001169126165 969434915 /nfs/dbraw/zinc/43/49/15/969434915.db2.gz QMCFDZHYPODNJJ-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@H](O)C1)C2 ZINC001169126165 969434921 /nfs/dbraw/zinc/43/49/21/969434921.db2.gz QMCFDZHYPODNJJ-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109454 969446937 /nfs/dbraw/zinc/44/69/37/969446937.db2.gz IRKVWCZGBHLILB-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC001169144139 969465346 /nfs/dbraw/zinc/46/53/46/969465346.db2.gz JTCZAENEDZGHIQ-YIYPIFLZSA-N 2 1 237.391 1.248 20 0 BDADMP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC001169144139 969465353 /nfs/dbraw/zinc/46/53/53/969465353.db2.gz JTCZAENEDZGHIQ-YIYPIFLZSA-N 2 1 237.391 1.248 20 0 BDADMP C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC001169144139 969465360 /nfs/dbraw/zinc/46/53/60/969465360.db2.gz JTCZAENEDZGHIQ-YIYPIFLZSA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@@H]1CC[N@@H+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142853 969468311 /nfs/dbraw/zinc/46/83/11/969468311.db2.gz WUWYPGFOVNOBBB-XJFOESAGSA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142853 969468327 /nfs/dbraw/zinc/46/83/27/969468327.db2.gz WUWYPGFOVNOBBB-XJFOESAGSA-N 2 1 237.391 1.248 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142853 969468335 /nfs/dbraw/zinc/46/83/35/969468335.db2.gz WUWYPGFOVNOBBB-XJFOESAGSA-N 2 1 237.391 1.248 20 0 BDADMP C[N@@H+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160889 969480217 /nfs/dbraw/zinc/48/02/17/969480217.db2.gz MGHIVTCZMGFTMD-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160889 969480221 /nfs/dbraw/zinc/48/02/21/969480221.db2.gz MGHIVTCZMGFTMD-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160889 969480226 /nfs/dbraw/zinc/48/02/26/969480226.db2.gz MGHIVTCZMGFTMD-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP C[C@@H]([NH3+])c1ccn(-c2ccc3[nH+]c(N)[nH]c3c2)n1 ZINC001169234247 969515574 /nfs/dbraw/zinc/51/55/74/969515574.db2.gz VZKDMOVMXVAUAX-SSDOTTSWSA-N 2 1 242.286 1.351 20 0 BDADMP O[C@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209450481 969516832 /nfs/dbraw/zinc/51/68/32/969516832.db2.gz RTOCOJDSHMAJEX-AWEZNQCLSA-N 2 1 240.391 1.709 20 0 BDADMP CC[NH+]1CCC(N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001169265843 969524710 /nfs/dbraw/zinc/52/47/10/969524710.db2.gz RXJLBSYTNWUKEP-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCC([N@@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001169245231 969529115 /nfs/dbraw/zinc/52/91/15/969529115.db2.gz CMKRQBZFDMNJSP-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+]1CCC([N@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001169245231 969529123 /nfs/dbraw/zinc/52/91/23/969529123.db2.gz CMKRQBZFDMNJSP-AAEUAGOBSA-N 2 1 226.364 1.316 20 0 BDADMP CCN1CCC([N@H+]2CC[C@H](C)[C@@H](O)CC2)CC1 ZINC001169246063 969534438 /nfs/dbraw/zinc/53/44/38/969534438.db2.gz NVYRVCUPNMOHCE-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](C)[C@@H](O)CC2)CC1 ZINC001169246063 969534443 /nfs/dbraw/zinc/53/44/43/969534443.db2.gz NVYRVCUPNMOHCE-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](C)[C@@H](O)CC2)CC1 ZINC001169246063 969534448 /nfs/dbraw/zinc/53/44/48/969534448.db2.gz NVYRVCUPNMOHCE-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CCN1CCC([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC001169246625 969535230 /nfs/dbraw/zinc/53/52/30/969535230.db2.gz SZEYPCUPHOMEJV-MQMHXKEQSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC001169258550 969545239 /nfs/dbraw/zinc/54/52/39/969545239.db2.gz MAZOVZPIJSTZDF-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@H](CCO)C2)CC1 ZINC001169258550 969545245 /nfs/dbraw/zinc/54/52/45/969545245.db2.gz MAZOVZPIJSTZDF-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1ccc(C[N@@H+](C)C2CCN(C)CC2)[nH]1 ZINC001209566214 969548074 /nfs/dbraw/zinc/54/80/74/969548074.db2.gz JARQBTHEDTXOCX-UHFFFAOYSA-N 2 1 221.348 1.849 20 0 BDADMP CC[NH+]1CCC(N2CCC3(C[NH+](C)C3)C2)CC1 ZINC001169261175 969549012 /nfs/dbraw/zinc/54/90/12/969549012.db2.gz BYMZEJHSYYRQGL-UHFFFAOYSA-N 2 1 237.391 1.108 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](OC)C[C@@H]2C)CC1 ZINC001169267905 969552845 /nfs/dbraw/zinc/55/28/45/969552845.db2.gz BTXPAZUEIXUFTI-JSGCOSHPSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](OC)C[C@@H]2C)CC1 ZINC001169267905 969552853 /nfs/dbraw/zinc/55/28/53/969552853.db2.gz BTXPAZUEIXUFTI-JSGCOSHPSA-N 2 1 240.391 1.970 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1CCC2(COC2)CC1 ZINC001209727182 969580715 /nfs/dbraw/zinc/58/07/15/969580715.db2.gz KGXBGFNVNZMJGU-UHFFFAOYSA-N 2 1 233.315 1.107 20 0 BDADMP CC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209725756 969582541 /nfs/dbraw/zinc/58/25/41/969582541.db2.gz BQMBACABSINSPA-UHFFFAOYSA-N 2 1 205.305 1.726 20 0 BDADMP C1CC[NH+](C2CC[NH+]([C@@H]3CCCOC3)CC2)C1 ZINC001254376683 969591350 /nfs/dbraw/zinc/59/13/50/969591350.db2.gz XKJGUMHRLRLYGV-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CO[C@@H]1CC[N@H+](Cc2c[nH+]ccc2N)[C@@H](C)C1 ZINC001209733959 969595180 /nfs/dbraw/zinc/59/51/80/969595180.db2.gz XRYFYPWZMYZCDB-CMPLNLGQSA-N 2 1 235.331 1.493 20 0 BDADMP CO[C@@H]1CC[N@@H+](Cc2c[nH+]ccc2N)[C@@H](C)C1 ZINC001209733959 969595182 /nfs/dbraw/zinc/59/51/82/969595182.db2.gz XRYFYPWZMYZCDB-CMPLNLGQSA-N 2 1 235.331 1.493 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCn2cccc2)CC1 ZINC001254501323 969664528 /nfs/dbraw/zinc/66/45/28/969664528.db2.gz SQXKFJZCKRDPQV-CYBMUJFWSA-N 2 1 221.348 1.562 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCc2nncs2)CC1 ZINC001254511085 969678142 /nfs/dbraw/zinc/67/81/42/969678142.db2.gz UYBBHMPIIMSWHY-SNVBAGLBSA-N 2 1 240.376 1.155 20 0 BDADMP CCOC(=O)[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254507485 969684518 /nfs/dbraw/zinc/68/45/18/969684518.db2.gz BZYUPYXCRIVGBS-VXGBXAGGSA-N 2 1 242.363 1.260 20 0 BDADMP CC(C)[NH+]1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516472 969691692 /nfs/dbraw/zinc/69/16/92/969691692.db2.gz MTWQBIYIXMTMJL-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H](F)C2)CC1 ZINC001254522373 969708285 /nfs/dbraw/zinc/70/82/85/969708285.db2.gz FLBRXIRTRRTDRK-NEPJUHHUSA-N 2 1 214.328 1.905 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](F)C2)CC1 ZINC001254522373 969708295 /nfs/dbraw/zinc/70/82/95/969708295.db2.gz FLBRXIRTRRTDRK-NEPJUHHUSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](F)C2)CC1 ZINC001254522373 969708301 /nfs/dbraw/zinc/70/83/01/969708301.db2.gz FLBRXIRTRRTDRK-NEPJUHHUSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](F)C2)CC1 ZINC001254522373 969708311 /nfs/dbraw/zinc/70/83/11/969708311.db2.gz FLBRXIRTRRTDRK-NEPJUHHUSA-N 2 1 214.328 1.905 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521875 969712892 /nfs/dbraw/zinc/71/28/92/969712892.db2.gz ZIULRYXSJBBFGR-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521875 969712901 /nfs/dbraw/zinc/71/29/01/969712901.db2.gz ZIULRYXSJBBFGR-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521875 969712908 /nfs/dbraw/zinc/71/29/08/969712908.db2.gz ZIULRYXSJBBFGR-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521875 969712914 /nfs/dbraw/zinc/71/29/14/969712914.db2.gz ZIULRYXSJBBFGR-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP COC[C@@H]1CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254534237 969730771 /nfs/dbraw/zinc/73/07/71/969730771.db2.gz UWVQFITZLMXOCY-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254534237 969730786 /nfs/dbraw/zinc/73/07/86/969730786.db2.gz UWVQFITZLMXOCY-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP COC[C@@H]1CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254534237 969730792 /nfs/dbraw/zinc/73/07/92/969730792.db2.gz UWVQFITZLMXOCY-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP CC(C)[C@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCO1 ZINC001254529228 969733395 /nfs/dbraw/zinc/73/33/95/969733395.db2.gz LHMYHSPUPVYZSU-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCO1 ZINC001254529228 969733404 /nfs/dbraw/zinc/73/34/04/969733404.db2.gz LHMYHSPUPVYZSU-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCO1 ZINC001254529228 969733417 /nfs/dbraw/zinc/73/34/17/969733417.db2.gz LHMYHSPUPVYZSU-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCO1 ZINC001254529228 969733427 /nfs/dbraw/zinc/73/34/27/969733427.db2.gz LHMYHSPUPVYZSU-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP O=C1Cc2c[nH+]c(NCC[C@H]3CCC[NH2+]3)cc2N1 ZINC001169559040 969756263 /nfs/dbraw/zinc/75/62/63/969756263.db2.gz YKZAZVNPLJWLLR-SNVBAGLBSA-N 2 1 246.314 1.130 20 0 BDADMP C[NH+]1CCC(N[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254833785 969796422 /nfs/dbraw/zinc/79/64/22/969796422.db2.gz ROYYAHVYCDZEOX-AWEZNQCLSA-N 2 1 237.391 1.155 20 0 BDADMP C1C[C@@H]2CN([C@@H]3CC4CC[NH+](CC4)C3)CC[N@H+]2C1 ZINC001254862061 969810622 /nfs/dbraw/zinc/81/06/22/969810622.db2.gz GXZZMBVGLQQODB-HUUCEWRRSA-N 2 1 249.402 1.251 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1CC2CC[NH+](CC2)C1 ZINC001254866524 969814442 /nfs/dbraw/zinc/81/44/42/969814442.db2.gz PKKUSRWCEJDDBN-KKUMJFAQSA-N 2 1 249.402 1.249 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254921967 969819020 /nfs/dbraw/zinc/81/90/20/969819020.db2.gz JFXKJUHDYVMHJB-RKDXNWHRSA-N 2 1 210.321 1.071 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254921966 969820329 /nfs/dbraw/zinc/82/03/29/969820329.db2.gz JFXKJUHDYVMHJB-MYJAWHEDSA-N 2 1 210.321 1.071 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254937231 969824665 /nfs/dbraw/zinc/82/46/65/969824665.db2.gz ZVYUVJCYMOMBOX-VWYCJHECSA-N 2 1 224.348 1.271 20 0 BDADMP CNc1cc[nH+]c(NC(C)(C)CC[NH+](C)C)n1 ZINC001169711005 969828893 /nfs/dbraw/zinc/82/88/93/969828893.db2.gz FHLSFIVYWJENJP-UHFFFAOYSA-N 2 1 237.351 1.661 20 0 BDADMP C[C@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001210474724 969899221 /nfs/dbraw/zinc/89/92/21/969899221.db2.gz IKYPDLQEWNPWGY-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001210474724 969899223 /nfs/dbraw/zinc/89/92/23/969899223.db2.gz IKYPDLQEWNPWGY-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP [NH2+]=CN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255100384 969934071 /nfs/dbraw/zinc/93/40/71/969934071.db2.gz YBSLLOQFJTVHCE-GFCCVEGCSA-N 2 1 203.289 1.458 20 0 BDADMP [NH2+]=CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255100384 969934076 /nfs/dbraw/zinc/93/40/76/969934076.db2.gz YBSLLOQFJTVHCE-GFCCVEGCSA-N 2 1 203.289 1.458 20 0 BDADMP CCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001255313471 970082136 /nfs/dbraw/zinc/08/21/36/970082136.db2.gz MIZOXBDVEJLINP-RYUDHWBXSA-N 2 1 244.379 1.825 20 0 BDADMP CCCC[C@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001255314192 970085928 /nfs/dbraw/zinc/08/59/28/970085928.db2.gz XSVLCGYPTRFNGJ-WDEREUQCSA-N 2 1 230.352 1.435 20 0 BDADMP Cc1[nH+]ccc(N(C)C(C)(C)C[NH3+])c1F ZINC001170059322 970110757 /nfs/dbraw/zinc/11/07/57/970110757.db2.gz GOKINSNFXVQDCM-UHFFFAOYSA-N 2 1 211.284 1.703 20 0 BDADMP C[N@H+]1CC[C@@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001255415269 970134635 /nfs/dbraw/zinc/13/46/35/970134635.db2.gz GRGUUBALCUYFOT-LLVKDONJSA-N 2 1 236.294 1.230 20 0 BDADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H](C)CCCC(C)C ZINC001170067773 970140138 /nfs/dbraw/zinc/14/01/38/970140138.db2.gz COSXBZYRNVQJTO-NWDGAFQWSA-N 2 1 244.379 1.539 20 0 BDADMP C[N@H+]1CC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001255418352 970140135 /nfs/dbraw/zinc/14/01/35/970140135.db2.gz AUIJDMLUWHBJIJ-LLVKDONJSA-N 2 1 223.295 1.400 20 0 BDADMP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001255422764 970147815 /nfs/dbraw/zinc/14/78/15/970147815.db2.gz PZWMNVAHBDSPOC-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001255422764 970147824 /nfs/dbraw/zinc/14/78/24/970147824.db2.gz PZWMNVAHBDSPOC-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001255422764 970147834 /nfs/dbraw/zinc/14/78/34/970147834.db2.gz PZWMNVAHBDSPOC-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001255422764 970147841 /nfs/dbraw/zinc/14/78/41/970147841.db2.gz PZWMNVAHBDSPOC-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)C2)[C@H](C)C1 ZINC001255425459 970150579 /nfs/dbraw/zinc/15/05/79/970150579.db2.gz GNUDTNAFAOYPGH-MCIONIFRSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001255425459 970150583 /nfs/dbraw/zinc/15/05/83/970150583.db2.gz GNUDTNAFAOYPGH-MCIONIFRSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001255425459 970150586 /nfs/dbraw/zinc/15/05/86/970150586.db2.gz GNUDTNAFAOYPGH-MCIONIFRSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001255425459 970150589 /nfs/dbraw/zinc/15/05/89/970150589.db2.gz GNUDTNAFAOYPGH-MCIONIFRSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001255425459 970150591 /nfs/dbraw/zinc/15/05/91/970150591.db2.gz GNUDTNAFAOYPGH-MCIONIFRSA-N 2 1 239.407 1.399 20 0 BDADMP CCN(CC[NH+]1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001255436055 970165749 /nfs/dbraw/zinc/16/57/49/970165749.db2.gz ONGMJKGYFMJUOR-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP C[N@H+]1CCC[C@@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001255470708 970199035 /nfs/dbraw/zinc/19/90/35/970199035.db2.gz OLQAHMYTMWVBHR-CYBMUJFWSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001255472213 970204040 /nfs/dbraw/zinc/20/40/40/970204040.db2.gz QUXWVAQICVKXRJ-CYBMUJFWSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001255475816 970206243 /nfs/dbraw/zinc/20/62/43/970206243.db2.gz VWVBAKILVLBOGA-CQSZACIVSA-N 2 1 233.359 1.694 20 0 BDADMP CC[N@H+]1CCCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001255480965 970220305 /nfs/dbraw/zinc/22/03/05/970220305.db2.gz NAEKXVXTWYHIKX-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CCCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001255480965 970220314 /nfs/dbraw/zinc/22/03/14/970220314.db2.gz NAEKXVXTWYHIKX-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CCCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001255480965 970220323 /nfs/dbraw/zinc/22/03/23/970220323.db2.gz NAEKXVXTWYHIKX-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CCN(CC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC001255486464 970234651 /nfs/dbraw/zinc/23/46/51/970234651.db2.gz LPCHUIDULKVWKI-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[C@H]1CC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001170103097 970295599 /nfs/dbraw/zinc/29/55/99/970295599.db2.gz XKWNBUMGJWOIGM-AXFHLTTASA-N 2 1 223.320 1.106 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170103492 970301897 /nfs/dbraw/zinc/30/18/97/970301897.db2.gz GEPHNQNFSHZOGR-TUAOUCFPSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109445 970309349 /nfs/dbraw/zinc/30/93/49/970309349.db2.gz PVWNXMCIDMNFBB-UONOGXRCSA-N 3 1 241.423 1.778 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109445 970309360 /nfs/dbraw/zinc/30/93/60/970309360.db2.gz PVWNXMCIDMNFBB-UONOGXRCSA-N 3 1 241.423 1.778 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109446 970310467 /nfs/dbraw/zinc/31/04/67/970310467.db2.gz PVWNXMCIDMNFBB-ZIAGYGMSSA-N 3 1 241.423 1.778 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001170109446 970310478 /nfs/dbraw/zinc/31/04/78/970310478.db2.gz PVWNXMCIDMNFBB-ZIAGYGMSSA-N 3 1 241.423 1.778 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001170125089 970368061 /nfs/dbraw/zinc/36/80/61/970368061.db2.gz JMWQNJHVEAWRMC-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@H](CC(F)(F)F)[NH2+]CCC[N@@H+](C)CCO ZINC001255646647 970424499 /nfs/dbraw/zinc/42/44/99/970424499.db2.gz QOYZIBXLRUURJC-SECBINFHSA-N 2 1 242.285 1.231 20 0 BDADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1(C[NH3+])CC1 ZINC001255866042 970527984 /nfs/dbraw/zinc/52/79/84/970527984.db2.gz IUEJZPSMRIMPEI-JTQLQIEISA-N 2 1 222.307 1.838 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+](C)C[C@H](C)C[NH3+])CCO1 ZINC001170182608 970561029 /nfs/dbraw/zinc/56/10/29/970561029.db2.gz NJWQBDHFWWZNMU-IJLUTSLNSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400382457 970585131 /nfs/dbraw/zinc/58/51/31/970585131.db2.gz KRZNXXGLCFVOLF-SFYZADRCSA-N 2 1 242.310 1.970 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@](C)(O)C1 ZINC001255955557 970585547 /nfs/dbraw/zinc/58/55/47/970585547.db2.gz BSBVIUAGJMYAGG-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400468708 970594271 /nfs/dbraw/zinc/59/42/71/970594271.db2.gz XAIICRCUICEIGE-OBJOEFQTSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400468708 970594279 /nfs/dbraw/zinc/59/42/79/970594279.db2.gz XAIICRCUICEIGE-OBJOEFQTSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC000400565734 970605421 /nfs/dbraw/zinc/60/54/21/970605421.db2.gz NVHIDDVEIKNTEV-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000400630451 970611777 /nfs/dbraw/zinc/61/17/77/970611777.db2.gz RKGMKALYWOSQSK-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP CC[C@@H]1C[C@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001170235549 970612507 /nfs/dbraw/zinc/61/25/07/970612507.db2.gz NJUTXBISNLIOET-CHWSQXEVSA-N 2 1 249.358 1.699 20 0 BDADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001170235549 970612514 /nfs/dbraw/zinc/61/25/14/970612514.db2.gz NJUTXBISNLIOET-CHWSQXEVSA-N 2 1 249.358 1.699 20 0 BDADMP C[C@@]1(O)C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256068102 970633890 /nfs/dbraw/zinc/63/38/90/970633890.db2.gz VEPKNIGFSSNHOH-VDISTLRHSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC001256075842 970651438 /nfs/dbraw/zinc/65/14/38/970651438.db2.gz SGWMDUMMQIJAIZ-RISCZKNCSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC001256075842 970651448 /nfs/dbraw/zinc/65/14/48/970651448.db2.gz SGWMDUMMQIJAIZ-RISCZKNCSA-N 2 1 238.375 1.316 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+]C2(C[NH3+])CC2)c1 ZINC001256154308 970674205 /nfs/dbraw/zinc/67/42/05/970674205.db2.gz DPAQJEIBMGGVMF-LLVKDONJSA-N 2 1 234.343 1.707 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001256194957 970689597 /nfs/dbraw/zinc/68/95/97/970689597.db2.gz QTZRSAJGWROIMK-GHMZBOCLSA-N 2 1 214.328 1.808 20 0 BDADMP C[NH+]1CCC([NH2+]CCn2cccc2)CC1 ZINC001256194880 970691582 /nfs/dbraw/zinc/69/15/82/970691582.db2.gz RVZAGZPQQFOTBW-UHFFFAOYSA-N 2 1 207.321 1.172 20 0 BDADMP C[NH+]1CCC([NH2+]CCOc2ccncc2)CC1 ZINC001256201431 970693523 /nfs/dbraw/zinc/69/35/23/970693523.db2.gz CDHIEIOPELCNPD-UHFFFAOYSA-N 2 1 235.331 1.144 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001256199885 970694835 /nfs/dbraw/zinc/69/48/35/970694835.db2.gz HQVVWVQVRCUTCM-UHFFFAOYSA-N 3 1 233.359 1.329 20 0 BDADMP C[NH+]1CCC(NCc2ccccc2C[NH3+])CC1 ZINC001256199885 970694842 /nfs/dbraw/zinc/69/48/42/970694842.db2.gz HQVVWVQVRCUTCM-UHFFFAOYSA-N 2 1 233.359 1.329 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ncccc32)CC1 ZINC001256200350 970694911 /nfs/dbraw/zinc/69/49/11/970694911.db2.gz SBVLAMBIIXWVNM-CQSZACIVSA-N 2 1 231.343 1.753 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@H](F)CC2)CC1 ZINC001256203306 970703566 /nfs/dbraw/zinc/70/35/66/970703566.db2.gz VDVRLWLEJKYICB-NSHDSACASA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001256203306 970703576 /nfs/dbraw/zinc/70/35/76/970703576.db2.gz VDVRLWLEJKYICB-NSHDSACASA-N 2 1 214.328 1.905 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2cccnc21 ZINC000401838948 970738605 /nfs/dbraw/zinc/73/86/05/970738605.db2.gz MNOJPDBMYBSZJZ-ZDUSSCGKSA-N 2 1 242.326 1.635 20 0 BDADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246544829 972604684 /nfs/dbraw/zinc/60/46/84/972604684.db2.gz SXRCMCYBOMBAAF-IJLUTSLNSA-N 2 1 214.353 1.612 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2CCOC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246544666 972608541 /nfs/dbraw/zinc/60/85/41/972608541.db2.gz YAMZXALAQFNKNP-QJPTWQEYSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@](C)(O)CC2)CC[NH2+]1 ZINC001246552787 972738221 /nfs/dbraw/zinc/73/82/21/972738221.db2.gz VEVBGGIMLQNCJZ-YIYPIFLZSA-N 2 1 240.391 1.610 20 0 BDADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557498 972775605 /nfs/dbraw/zinc/77/56/05/972775605.db2.gz LWWWNLNSTRUFKB-VLEAKVRGSA-N 2 1 230.302 1.701 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000690424457 972841839 /nfs/dbraw/zinc/84/18/39/972841839.db2.gz ZYIRUDOHTXWMHM-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP COc1ccc2[nH+]ccc(NCC(C)(C)[NH3+])c2n1 ZINC001171193397 972845696 /nfs/dbraw/zinc/84/56/96/972845696.db2.gz WXHJHTZSORWUCC-UHFFFAOYSA-N 2 1 246.314 1.210 20 0 BDADMP C[C@@]1(CO)CCC[N@H+](C2CC[NH2+]CC2)CC1 ZINC001246577405 972881680 /nfs/dbraw/zinc/88/16/80/972881680.db2.gz RFYCHGWNJFYNIN-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C[C@H](C)O1 ZINC001246580793 972924155 /nfs/dbraw/zinc/92/41/55/972924155.db2.gz FBEWRSALWMDXAM-PPCPHDFISA-N 2 1 244.354 1.704 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C[C@H](C)O1 ZINC001246580793 972924165 /nfs/dbraw/zinc/92/41/65/972924165.db2.gz FBEWRSALWMDXAM-PPCPHDFISA-N 2 1 244.354 1.704 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@H]1O ZINC001246581208 972940380 /nfs/dbraw/zinc/94/03/80/972940380.db2.gz YFNQYHPLOJOHJC-SYCZCVCYSA-N 2 1 238.375 1.362 20 0 BDADMP CC1CC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000231788127 972955932 /nfs/dbraw/zinc/95/59/32/972955932.db2.gz CYERPWFCIOSKDD-FIYWTHMPSA-N 2 1 224.348 1.238 20 0 BDADMP CC1CC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000231788127 972955953 /nfs/dbraw/zinc/95/59/53/972955953.db2.gz CYERPWFCIOSKDD-FIYWTHMPSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246591475 972997337 /nfs/dbraw/zinc/99/73/37/972997337.db2.gz JATWVJVGCRILGM-CRWXNKLISA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246591475 972997353 /nfs/dbraw/zinc/99/73/53/972997353.db2.gz JATWVJVGCRILGM-CRWXNKLISA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC[NH2+]1 ZINC001246599970 973018728 /nfs/dbraw/zinc/01/87/28/973018728.db2.gz QLEVCFUPSOLQEO-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246627909 973045200 /nfs/dbraw/zinc/04/52/00/973045200.db2.gz AWRPRQATZMDUOJ-LXTVHRRPSA-N 2 1 249.402 1.345 20 0 BDADMP CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246835708 973133088 /nfs/dbraw/zinc/13/30/88/973133088.db2.gz LWXBNXFDFBNIKN-UPJWGTAASA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246835708 973133095 /nfs/dbraw/zinc/13/30/95/973133095.db2.gz LWXBNXFDFBNIKN-UPJWGTAASA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854619 973167177 /nfs/dbraw/zinc/16/71/77/973167177.db2.gz QLSDCLYMDWMWMO-MELADBBJSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H]3CC[C@@]3([NH3+])C1)C2 ZINC001246854668 973173383 /nfs/dbraw/zinc/17/33/83/973173383.db2.gz QNXZIYBFVHBBJL-PEBLQZBPSA-N 2 1 235.375 1.035 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1CCSCC1)C2 ZINC001246865291 973204898 /nfs/dbraw/zinc/20/48/98/973204898.db2.gz ZFUQINYPPRRZGC-GXSJLCMTSA-N 2 1 212.362 1.305 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224118990 973454750 /nfs/dbraw/zinc/45/47/50/973454750.db2.gz ORCLJAMTVBJRBF-GVXVVHGQSA-N 2 1 231.343 1.475 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224118990 973454757 /nfs/dbraw/zinc/45/47/57/973454757.db2.gz ORCLJAMTVBJRBF-GVXVVHGQSA-N 2 1 231.343 1.475 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)C1 ZINC001246919070 973482269 /nfs/dbraw/zinc/48/22/69/973482269.db2.gz MGQFVAJSHUKJJQ-WOPDTQHZSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCF)C1 ZINC001329375709 973712698 /nfs/dbraw/zinc/71/26/98/973712698.db2.gz NXZRWUSBBAJDEG-LLVKDONJSA-N 2 1 202.317 1.653 20 0 BDADMP C[NH2+]C[C@H](C)c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001329412187 973751729 /nfs/dbraw/zinc/75/17/29/973751729.db2.gz UVUOYZQBRNRYCC-ONGXEEELSA-N 2 1 246.314 1.441 20 0 BDADMP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246996100 973787311 /nfs/dbraw/zinc/78/73/11/973787311.db2.gz QQFJMVGSLABXJS-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246996100 973787315 /nfs/dbraw/zinc/78/73/15/973787315.db2.gz QQFJMVGSLABXJS-HZSPNIEDSA-N 3 1 239.407 1.448 20 0 BDADMP C1[NH2+]CC12CC[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247014104 973797309 /nfs/dbraw/zinc/79/73/09/973797309.db2.gz IYBKLBGKKPHIBK-HZSPNIEDSA-N 3 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12CC[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247014104 973797317 /nfs/dbraw/zinc/79/73/17/973797317.db2.gz IYBKLBGKKPHIBK-HZSPNIEDSA-N 3 1 249.402 1.202 20 0 BDADMP CC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000045134684 973866382 /nfs/dbraw/zinc/86/63/82/973866382.db2.gz UGDATQOANOVCAS-NEPJUHHUSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H](C[NH+](C)C)OC[C@@H]1CCC[N@H+]1C ZINC001224817164 973991092 /nfs/dbraw/zinc/99/10/92/973991092.db2.gz IQAQZDCYGKRCDG-QWRGUYRKSA-N 2 1 200.326 1.047 20 0 BDADMP Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@H]([NH3+])C1)C2 ZINC001171550856 974094604 /nfs/dbraw/zinc/09/46/04/974094604.db2.gz LXZYVJGGPBHNKG-KBPBESRZSA-N 2 1 230.355 1.885 20 0 BDADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@H]([NH3+])C1)C2 ZINC001171550856 974094608 /nfs/dbraw/zinc/09/46/08/974094608.db2.gz LXZYVJGGPBHNKG-KBPBESRZSA-N 2 1 230.355 1.885 20 0 BDADMP CCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171763213 974147560 /nfs/dbraw/zinc/14/75/60/974147560.db2.gz VPUVUMNEGKAHLM-UHFFFAOYSA-N 2 1 243.395 1.224 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001206153691 974222441 /nfs/dbraw/zinc/22/24/41/974222441.db2.gz DTEAPSZQVGDAGT-CFVMTHIKSA-N 2 1 248.370 1.259 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001206153691 974222450 /nfs/dbraw/zinc/22/24/50/974222450.db2.gz DTEAPSZQVGDAGT-CFVMTHIKSA-N 2 1 248.370 1.259 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCC2)CC[C@@H]1F ZINC001206153109 974234272 /nfs/dbraw/zinc/23/42/72/974234272.db2.gz BVQHGBBRKDDUIB-QWRGUYRKSA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCC2)CC[C@@H]1F ZINC001206153109 974234286 /nfs/dbraw/zinc/23/42/86/974234286.db2.gz BVQHGBBRKDDUIB-QWRGUYRKSA-N 2 1 200.301 1.548 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccnn1)C2 ZINC001172101745 974358596 /nfs/dbraw/zinc/35/85/96/974358596.db2.gz AUONQMZHUYZIEW-ZSOGYDGISA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccnn1)C2 ZINC001172101745 974358607 /nfs/dbraw/zinc/35/86/07/974358607.db2.gz AUONQMZHUYZIEW-ZSOGYDGISA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCOC1)C2 ZINC001172105480 974364700 /nfs/dbraw/zinc/36/47/00/974364700.db2.gz ICEJZIUWLYKGDN-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1COC[C@@H]1F)C2 ZINC001172108979 974374984 /nfs/dbraw/zinc/37/49/84/974374984.db2.gz GAHMAURBBIDEJD-IEECTRCBSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COC[C@@H]1F)C2 ZINC001172108979 974374994 /nfs/dbraw/zinc/37/49/94/974374994.db2.gz GAHMAURBBIDEJD-IEECTRCBSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COC[C@@H]1F)C2 ZINC001172108979 974375002 /nfs/dbraw/zinc/37/50/02/974375002.db2.gz GAHMAURBBIDEJD-IEECTRCBSA-N 2 1 242.338 1.328 20 0 BDADMP COCC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172112868 974377084 /nfs/dbraw/zinc/37/70/84/974377084.db2.gz GEZMUHHDYDUZSZ-WDNDVIMCSA-N 2 1 238.375 1.580 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CCO)C2 ZINC001172108313 974377581 /nfs/dbraw/zinc/37/75/81/974377581.db2.gz UEVUTKYDVXBBQX-XYYAHUGASA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)CCO)C2 ZINC001172108313 974377585 /nfs/dbraw/zinc/37/75/85/974377585.db2.gz UEVUTKYDVXBBQX-XYYAHUGASA-N 2 1 240.391 1.752 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C)(CO)C1)C2 ZINC001172120037 974378494 /nfs/dbraw/zinc/37/84/94/974378494.db2.gz JEKHNKAIZKKRNK-CLLJXQQHSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCN1CCC1)C2 ZINC001172113472 974379995 /nfs/dbraw/zinc/37/99/95/974379995.db2.gz HLCQTIJMIOBSDY-BTTYYORXSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CO)CCC1)C2 ZINC001172117403 974385441 /nfs/dbraw/zinc/38/54/41/974385441.db2.gz LKPBUTJHDATVTG-XYYAHUGASA-N 2 1 238.375 1.506 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CO)CCC1)C2 ZINC001172117403 974385448 /nfs/dbraw/zinc/38/54/48/974385448.db2.gz LKPBUTJHDATVTG-XYYAHUGASA-N 2 1 238.375 1.506 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1CO)C2 ZINC001172122240 974392432 /nfs/dbraw/zinc/39/24/32/974392432.db2.gz YEBXZCNDMPXGLF-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1CO)C2 ZINC001172122240 974392441 /nfs/dbraw/zinc/39/24/41/974392441.db2.gz YEBXZCNDMPXGLF-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1CO)C2 ZINC001172122240 974392452 /nfs/dbraw/zinc/39/24/52/974392452.db2.gz YEBXZCNDMPXGLF-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1CO)C2 ZINC001172122240 974392462 /nfs/dbraw/zinc/39/24/62/974392462.db2.gz YEBXZCNDMPXGLF-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218100 974444184 /nfs/dbraw/zinc/44/41/84/974444184.db2.gz PCDZKZCCSOMGEQ-YHWZYXNKSA-N 2 1 235.331 1.491 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172233389 974477019 /nfs/dbraw/zinc/47/70/19/974477019.db2.gz XATKDIHFZANEMA-FUDCBSFHSA-N 2 1 236.359 1.546 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC001331418832 974712357 /nfs/dbraw/zinc/71/23/57/974712357.db2.gz LELBFFIEWSYEIA-IJLUTSLNSA-N 3 1 213.369 1.105 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@@H+]2CCC[C@H]2CN)C1 ZINC001172592680 974877726 /nfs/dbraw/zinc/87/77/26/974877726.db2.gz JSXZIHJWAMCNJO-SRVKXCTJSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2CCC[C@H]2CN)C1 ZINC001172592680 974877730 /nfs/dbraw/zinc/87/77/30/974877730.db2.gz JSXZIHJWAMCNJO-SRVKXCTJSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@@H+]2CCC[C@H]2C[NH3+])C1 ZINC001172592680 974877734 /nfs/dbraw/zinc/87/77/34/974877734.db2.gz JSXZIHJWAMCNJO-SRVKXCTJSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2CCC[C@H]2C[NH3+])C1 ZINC001172592680 974877736 /nfs/dbraw/zinc/87/77/36/974877736.db2.gz JSXZIHJWAMCNJO-SRVKXCTJSA-N 2 1 240.347 1.141 20 0 BDADMP CO[C@H]1CCC[C@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001172915821 974964531 /nfs/dbraw/zinc/96/45/31/974964531.db2.gz WYMCVWFRWTXZPL-JQWIXIFHSA-N 2 1 223.320 1.514 20 0 BDADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2ncsc2C1 ZINC001173122706 975031836 /nfs/dbraw/zinc/03/18/36/975031836.db2.gz RXQJQAQISBKGMK-SECBINFHSA-N 2 1 248.355 1.571 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ccc([C@@H](C)[NH3+])n2)C1 ZINC001173350661 975294040 /nfs/dbraw/zinc/29/40/40/975294040.db2.gz OJBOLRFFKOORBP-NXEZZACHSA-N 2 1 208.309 1.170 20 0 BDADMP CC[N@H+]1CC[C@@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001173353929 975306737 /nfs/dbraw/zinc/30/67/37/975306737.db2.gz SSMRDRRLHOVYCL-GFCCVEGCSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001173361309 975331400 /nfs/dbraw/zinc/33/14/00/975331400.db2.gz USDWEDBJOFDXKQ-QWHCGFSZSA-N 2 1 245.370 1.643 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC001173364354 975338330 /nfs/dbraw/zinc/33/83/30/975338330.db2.gz QUHYEEYNZCMWQC-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C2CC[NH+](CC)CC2)C1 ZINC001173365639 975346974 /nfs/dbraw/zinc/34/69/74/975346974.db2.gz MFUOEZWYJILHQE-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CC[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001173371135 975355256 /nfs/dbraw/zinc/35/52/56/975355256.db2.gz KKDJSZILYYJXHD-STQMWFEESA-N 2 1 248.374 1.617 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCc3n[nH]cc3C2)CC1 ZINC001333837102 976111659 /nfs/dbraw/zinc/11/16/59/976111659.db2.gz AIPFYWUHIHQMNQ-UHFFFAOYSA-N 2 1 248.374 1.500 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)[nH+]1 ZINC001334154063 976335720 /nfs/dbraw/zinc/33/57/20/976335720.db2.gz GCIBTVOEXMUQFS-QWRGUYRKSA-N 2 1 249.362 1.652 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCO[C@@H](C)C1 ZINC000721409591 976627625 /nfs/dbraw/zinc/62/76/25/976627625.db2.gz IENPGKILGLVKHE-VWYCJHECSA-N 2 1 200.326 1.081 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)O ZINC001335413266 977042165 /nfs/dbraw/zinc/04/21/65/977042165.db2.gz OISYTGSSHKVNFM-VXGBXAGGSA-N 2 1 216.369 1.323 20 0 BDADMP CC(C)[NH+]1CC(Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230506633 977227760 /nfs/dbraw/zinc/22/77/60/977227760.db2.gz AHCGDGYZYPJDMW-UHFFFAOYSA-N 2 1 246.314 1.617 20 0 BDADMP CC(C)(C)CC[C@H](N)C[NH2+]CCCC[NH3+] ZINC001336117984 977516453 /nfs/dbraw/zinc/51/64/53/977516453.db2.gz TXOTVCFVRZICBH-NSHDSACASA-N 2 1 215.385 1.469 20 0 BDADMP c1c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232012761 977839393 /nfs/dbraw/zinc/83/93/93/977839393.db2.gz QLEUWAQUGKPKCK-TXEJJXNPSA-N 2 1 243.310 1.641 20 0 BDADMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C1(C)COC1 ZINC001232015438 977843452 /nfs/dbraw/zinc/84/34/52/977843452.db2.gz ILMVITRRNWLRBE-UHFFFAOYSA-N 2 1 231.299 1.784 20 0 BDADMP CC[C@](O)(C[NH2+]CCC[NH+](C)C)C(F)(F)F ZINC001336711612 977877531 /nfs/dbraw/zinc/87/75/31/977877531.db2.gz ZLUBUQJGIMEUHZ-VIFPVBQESA-N 2 1 242.285 1.231 20 0 BDADMP Cc1nccc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)n1 ZINC001336874864 978017068 /nfs/dbraw/zinc/01/70/68/978017068.db2.gz YXPUVGNBMMTPEX-QJPTWQEYSA-N 2 1 232.331 1.537 20 0 BDADMP C[N@H+]1CCC2(CN(c3cc[nH+]cc3)C2)C1 ZINC001277693971 978204439 /nfs/dbraw/zinc/20/44/39/978204439.db2.gz NZVUGRDCBCTYOV-UHFFFAOYSA-N 2 1 203.289 1.224 20 0 BDADMP COCCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206293089 978292866 /nfs/dbraw/zinc/29/28/66/978292866.db2.gz GBTUENZPRZXLMA-ZDUSSCGKSA-N 2 1 228.380 1.864 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296861 978316424 /nfs/dbraw/zinc/31/64/24/978316424.db2.gz VGHPSRSBWPGTHJ-GFCCVEGCSA-N 2 1 213.369 1.047 20 0 BDADMP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC001233009725 978405149 /nfs/dbraw/zinc/40/51/49/978405149.db2.gz KWIFJHMKUKGENQ-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC001233009725 978405153 /nfs/dbraw/zinc/40/51/53/978405153.db2.gz KWIFJHMKUKGENQ-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC001233009725 978405165 /nfs/dbraw/zinc/40/51/65/978405165.db2.gz KWIFJHMKUKGENQ-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC001233009725 978405175 /nfs/dbraw/zinc/40/51/75/978405175.db2.gz KWIFJHMKUKGENQ-GASCZTMLSA-N 2 1 245.370 1.692 20 0 BDADMP CC[N@H+]1CCC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206309167 978418495 /nfs/dbraw/zinc/41/84/95/978418495.db2.gz LSGONFIOLPKLBC-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP Cn1c[nH+]cc1N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277765443 978474162 /nfs/dbraw/zinc/47/41/62/978474162.db2.gz ITRSACIDZROSMZ-UHFFFAOYSA-N 2 1 234.347 1.342 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cocn2)CC1 ZINC001206311554 978479540 /nfs/dbraw/zinc/47/95/40/978479540.db2.gz QNYAZLRUUMHXCJ-LBPRGKRZSA-N 2 1 223.320 1.626 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206310785 978481896 /nfs/dbraw/zinc/48/18/96/978481896.db2.gz CGOKCYVWDAJNIK-ZDUSSCGKSA-N 2 1 237.347 1.934 20 0 BDADMP OCc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC001337804439 978504194 /nfs/dbraw/zinc/50/41/94/978504194.db2.gz DIBKUZNWBVDHKH-UONOGXRCSA-N 2 1 247.342 1.613 20 0 BDADMP CC(C)(CNc1cc(N)[nH+]cn1)C[NH+]1CCCC1 ZINC001337957794 978572998 /nfs/dbraw/zinc/57/29/98/978572998.db2.gz KSNXKRULKAVLTP-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP CC[C@@H](C)[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277807105 978695942 /nfs/dbraw/zinc/69/59/42/978695942.db2.gz KQVIIKMLSSTFLP-HZSPNIEDSA-N 2 1 239.407 1.353 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(O)c3)[C@H]2C1 ZINC001179816013 978757853 /nfs/dbraw/zinc/75/78/53/978757853.db2.gz JSVVRHCYRMYPEX-AEGPPILISA-N 2 1 246.354 1.822 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(O)c3)[C@H]2C1 ZINC001179816013 978757858 /nfs/dbraw/zinc/75/78/58/978757858.db2.gz JSVVRHCYRMYPEX-AEGPPILISA-N 2 1 246.354 1.822 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)n1C ZINC001179816469 978759867 /nfs/dbraw/zinc/75/98/67/978759867.db2.gz LTWYPCOMOXXREF-KWCYVHTRSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)n1C ZINC001179816469 978759872 /nfs/dbraw/zinc/75/98/72/978759872.db2.gz LTWYPCOMOXXREF-KWCYVHTRSA-N 2 1 248.374 1.158 20 0 BDADMP C[C@@]1(F)CCCC[N@@H+](CCCC[NH3+])C1 ZINC001206405579 978794347 /nfs/dbraw/zinc/79/43/47/978794347.db2.gz QGFXPWADXCAMKY-LLVKDONJSA-N 2 1 202.317 1.939 20 0 BDADMP CCC(=O)C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277852329 978826242 /nfs/dbraw/zinc/82/62/42/978826242.db2.gz RVZDPHWMXLTSHB-UHFFFAOYSA-N 2 1 238.375 1.773 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042576 978961568 /nfs/dbraw/zinc/96/15/68/978961568.db2.gz XRDPMKXCKLXEEB-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP C[N@H+]1CCCC2(CC[NH+](C3CC3)CC2)C1 ZINC001277921818 978965750 /nfs/dbraw/zinc/96/57/50/978965750.db2.gz GUYHEZGJMDCKBD-UHFFFAOYSA-N 2 1 208.349 1.957 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073266 978970249 /nfs/dbraw/zinc/97/02/49/978970249.db2.gz AJKFTYXYGASAIV-RYMFRWLXSA-N 2 1 218.344 1.635 20 0 BDADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073266 978970254 /nfs/dbraw/zinc/97/02/54/978970254.db2.gz AJKFTYXYGASAIV-RYMFRWLXSA-N 2 1 218.344 1.635 20 0 BDADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC001277922990 978976905 /nfs/dbraw/zinc/97/69/05/978976905.db2.gz PXZVFIZZPAJVAG-QXMXGUDHSA-N 2 1 246.358 1.657 20 0 BDADMP c1n[nH]cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC001277922990 978976907 /nfs/dbraw/zinc/97/69/07/978976907.db2.gz PXZVFIZZPAJVAG-QXMXGUDHSA-N 2 1 246.358 1.657 20 0 BDADMP Cc1[nH]c(CN2CCCC[C@]23CC[NH2+]C3)c(C)[nH+]1 ZINC001235118785 978979157 /nfs/dbraw/zinc/97/91/57/978979157.db2.gz PPYFNQSQMDMOKX-CQSZACIVSA-N 2 1 248.374 1.745 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001235187465 978992344 /nfs/dbraw/zinc/99/23/44/978992344.db2.gz ZLNFQXAUKDWUOM-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)O1 ZINC001235223984 979000390 /nfs/dbraw/zinc/00/03/90/979000390.db2.gz JCSPDJDCQPZTJP-UPJWGTAASA-N 2 1 238.375 1.833 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3CCC[C@@H]3C2)O1 ZINC001235223984 979000397 /nfs/dbraw/zinc/00/03/97/979000397.db2.gz JCSPDJDCQPZTJP-UPJWGTAASA-N 2 1 238.375 1.833 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429466 979046930 /nfs/dbraw/zinc/04/69/30/979046930.db2.gz YDSUAHLXRSAQJW-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429466 979046937 /nfs/dbraw/zinc/04/69/37/979046937.db2.gz YDSUAHLXRSAQJW-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001235471850 979052513 /nfs/dbraw/zinc/05/25/13/979052513.db2.gz VDNCNRXDYYOXFO-KGLIPLIRSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001235471850 979052521 /nfs/dbraw/zinc/05/25/21/979052521.db2.gz VDNCNRXDYYOXFO-KGLIPLIRSA-N 2 1 239.407 1.306 20 0 BDADMP OCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235680659 979116250 /nfs/dbraw/zinc/11/62/50/979116250.db2.gz VPPVXZXCYZXTNX-CYBMUJFWSA-N 2 1 226.364 1.319 20 0 BDADMP [NH3+]CCCC[N@@H+]1Cc2cccc(F)c2C1 ZINC001235839910 979169426 /nfs/dbraw/zinc/16/94/26/979169426.db2.gz IKTIPNOARRYYIR-UHFFFAOYSA-N 2 1 208.280 1.880 20 0 BDADMP [NH3+]CCCC[N@H+]1Cc2cccc(F)c2C1 ZINC001235839910 979169438 /nfs/dbraw/zinc/16/94/38/979169438.db2.gz IKTIPNOARRYYIR-UHFFFAOYSA-N 2 1 208.280 1.880 20 0 BDADMP [NH3+]CCCC[N@H+]1CCN[C@H](c2ccccc2)C1 ZINC001235858674 979171776 /nfs/dbraw/zinc/17/17/76/979171776.db2.gz ILJVAQXERSYBHP-AWEZNQCLSA-N 2 1 233.359 1.372 20 0 BDADMP [NH3+]CCCCN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235858674 979171782 /nfs/dbraw/zinc/17/17/82/979171782.db2.gz ILJVAQXERSYBHP-AWEZNQCLSA-N 2 1 233.359 1.372 20 0 BDADMP CC(C)C[C@H]1C[N@H+](CCCC[NH3+])CCN1 ZINC001235878839 979178352 /nfs/dbraw/zinc/17/83/52/979178352.db2.gz RDIKGIITUACTPJ-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)C[C@H]1C[N@@H+](CCCC[NH3+])CCN1 ZINC001235878839 979178357 /nfs/dbraw/zinc/17/83/57/979178357.db2.gz RDIKGIITUACTPJ-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)[N@@H+](CCN)CC1(C)CC[NH2+]CC1 ZINC001235947855 979217500 /nfs/dbraw/zinc/21/75/00/979217500.db2.gz GXNZHMKKWGDXFV-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)N(CC[NH3+])CC1(C)CC[NH2+]CC1 ZINC001235947855 979217511 /nfs/dbraw/zinc/21/75/11/979217511.db2.gz GXNZHMKKWGDXFV-UHFFFAOYSA-N 2 1 213.369 1.045 20 0 BDADMP CC[N@@H+](CCCC[NH3+])CCN1CCCCC1 ZINC001235959727 979225921 /nfs/dbraw/zinc/22/59/21/979225921.db2.gz BJZDMMPMVFCZRW-UHFFFAOYSA-N 2 1 227.396 1.533 20 0 BDADMP CCN(CCCC[NH3+])CC[NH+]1CCCCC1 ZINC001235959727 979225937 /nfs/dbraw/zinc/22/59/37/979225937.db2.gz BJZDMMPMVFCZRW-UHFFFAOYSA-N 2 1 227.396 1.533 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235980002 979249904 /nfs/dbraw/zinc/24/99/04/979249904.db2.gz PNOZZCGBCVJBNT-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP Nc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235992209 979279296 /nfs/dbraw/zinc/27/92/96/979279296.db2.gz QXSBKYDEXPAYMR-AAEUAGOBSA-N 2 1 217.316 1.192 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235992209 979279310 /nfs/dbraw/zinc/27/93/10/979279310.db2.gz QXSBKYDEXPAYMR-AAEUAGOBSA-N 2 1 217.316 1.192 20 0 BDADMP CCC[C@H](C)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995214 979286505 /nfs/dbraw/zinc/28/65/05/979286505.db2.gz YJHAPXRRMVEFLN-ACJTYDJDSA-N 2 1 226.364 1.328 20 0 BDADMP CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCNC1 ZINC001236005104 979292045 /nfs/dbraw/zinc/29/20/45/979292045.db2.gz IWMAFCJOCPUJDQ-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCNC1 ZINC001236005104 979292052 /nfs/dbraw/zinc/29/20/52/979292052.db2.gz IWMAFCJOCPUJDQ-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc3c1CCN3)C2 ZINC001235996367 979293439 /nfs/dbraw/zinc/29/34/39/979293439.db2.gz XHSLSAGDRSZMDR-SWLSCSKDSA-N 2 1 243.354 1.578 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc3c1CCN3)C2 ZINC001235996367 979293453 /nfs/dbraw/zinc/29/34/53/979293453.db2.gz XHSLSAGDRSZMDR-SWLSCSKDSA-N 2 1 243.354 1.578 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001236060891 979353926 /nfs/dbraw/zinc/35/39/26/979353926.db2.gz SSJIUZJSPFMXOR-IUODEOHRSA-N 2 1 245.370 1.249 20 0 BDADMP C[C@@H]([NH3+])CN1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001236060891 979353942 /nfs/dbraw/zinc/35/39/42/979353942.db2.gz SSJIUZJSPFMXOR-IUODEOHRSA-N 2 1 245.370 1.249 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCOC[C@@H]2C)CC1 ZINC001181900795 979362510 /nfs/dbraw/zinc/36/25/10/979362510.db2.gz LSAQIDPFFZRDMO-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP COc1cccc2c1C[N@@H+](CCCC[NH3+])C2 ZINC001236078749 979367627 /nfs/dbraw/zinc/36/76/27/979367627.db2.gz JUKPXBDOBMQCTL-UHFFFAOYSA-N 2 1 220.316 1.750 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)CCCC[NH3+] ZINC001236091185 979379816 /nfs/dbraw/zinc/37/98/16/979379816.db2.gz URTSFRILCYTGJZ-QWRGUYRKSA-N 2 1 230.352 1.245 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc3c2CCN3)CCC[NH2+]1 ZINC001236100976 979389027 /nfs/dbraw/zinc/38/90/27/979389027.db2.gz RGOZQMXGKMVGQC-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP Nc1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC001236107304 979391156 /nfs/dbraw/zinc/39/11/56/979391156.db2.gz RFFQNHSKSSRZSY-LBPRGKRZSA-N 2 1 245.370 1.627 20 0 BDADMP CCCC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1 ZINC001236134893 979401346 /nfs/dbraw/zinc/40/13/46/979401346.db2.gz ISNBOEHBLSSNKS-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP CCCC[C@@H]1CN(CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001236134893 979401355 /nfs/dbraw/zinc/40/13/55/979401355.db2.gz ISNBOEHBLSSNKS-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP CCN(CC[NH2+]C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236143067 979407305 /nfs/dbraw/zinc/40/73/05/979407305.db2.gz GUJONEAYZOTITN-WDEREUQCSA-N 2 1 249.349 1.019 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001236144310 979407495 /nfs/dbraw/zinc/40/74/95/979407495.db2.gz PPDBQDRRFASUSC-CYBMUJFWSA-N 2 1 235.331 1.194 20 0 BDADMP [NH3+]CCCC[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001236144310 979407500 /nfs/dbraw/zinc/40/75/00/979407500.db2.gz PPDBQDRRFASUSC-CYBMUJFWSA-N 2 1 235.331 1.194 20 0 BDADMP [NH3+][C@@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001236170288 979425485 /nfs/dbraw/zinc/42/54/85/979425485.db2.gz IKVYBSYMYJIXTJ-SNVBAGLBSA-N 2 1 216.288 1.096 20 0 BDADMP CCC[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001236176745 979436388 /nfs/dbraw/zinc/43/63/88/979436388.db2.gz BJNHHOGJUSMPJC-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC001236176745 979436397 /nfs/dbraw/zinc/43/63/97/979436397.db2.gz BJNHHOGJUSMPJC-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@H+](CC1CC[NH2+]CC1)[C@@]1(C)CCCNC1 ZINC001236199945 979446679 /nfs/dbraw/zinc/44/66/79/979446679.db2.gz GQTLEVYHBJDYKM-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@]1(C)CCCNC1 ZINC001236199945 979446681 /nfs/dbraw/zinc/44/66/81/979446681.db2.gz GQTLEVYHBJDYKM-ZDUSSCGKSA-N 2 1 225.380 1.060 20 0 BDADMP CC(=O)N1CC[C@@H]([N@H+](CCCC[NH3+])C(C)C)C1 ZINC001236211441 979450154 /nfs/dbraw/zinc/45/01/54/979450154.db2.gz IFSILGNKJAFOOK-CYBMUJFWSA-N 2 1 241.379 1.057 20 0 BDADMP CNc1ccc(C[N@@H+]2CCC[C@@H]2CN)cc1 ZINC001236252831 979470075 /nfs/dbraw/zinc/47/00/75/979470075.db2.gz QMEXGJXOYYIPMZ-CYBMUJFWSA-N 2 1 219.332 1.651 20 0 BDADMP CNc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236252831 979470095 /nfs/dbraw/zinc/47/00/95/979470095.db2.gz QMEXGJXOYYIPMZ-CYBMUJFWSA-N 2 1 219.332 1.651 20 0 BDADMP CNc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236252831 979470105 /nfs/dbraw/zinc/47/01/05/979470105.db2.gz QMEXGJXOYYIPMZ-CYBMUJFWSA-N 2 1 219.332 1.651 20 0 BDADMP c1nocc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314910 979525337 /nfs/dbraw/zinc/52/53/37/979525337.db2.gz IXJJAZCZXOGLKT-TXEJJXNPSA-N 2 1 221.304 1.106 20 0 BDADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236314733 979525438 /nfs/dbraw/zinc/52/54/38/979525438.db2.gz GBZHXYYNZFMNIC-BETUJISGSA-N 2 1 249.333 1.652 20 0 BDADMP Cc1ccnc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236317204 979528265 /nfs/dbraw/zinc/52/82/65/979528265.db2.gz UQSCQMOZIXLUFJ-OKILXGFUSA-N 2 1 245.370 1.821 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC001341778460 979553895 /nfs/dbraw/zinc/55/38/95/979553895.db2.gz SFBFHGONHJHGKB-RYUDHWBXSA-N 2 1 241.379 1.103 20 0 BDADMP C[NH2+]Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC001182596727 979559282 /nfs/dbraw/zinc/55/92/82/979559282.db2.gz FJCZNGPTAOUPSX-UHFFFAOYSA-N 2 1 247.342 1.439 20 0 BDADMP OCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236369641 979570144 /nfs/dbraw/zinc/57/01/44/979570144.db2.gz BDHMIJASZRGEQZ-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001236433526 979595732 /nfs/dbraw/zinc/59/57/32/979595732.db2.gz JLPVTTJXVHQGPP-AWEZNQCLSA-N 2 1 246.354 1.930 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001236433527 979596571 /nfs/dbraw/zinc/59/65/71/979596571.db2.gz JLPVTTJXVHQGPP-CQSZACIVSA-N 2 1 246.354 1.930 20 0 BDADMP CC(C)C[N@@H+](CCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552564 979635924 /nfs/dbraw/zinc/63/59/24/979635924.db2.gz XYOZVOOIGKVFKG-HDJSIYSDSA-N 3 1 241.423 1.953 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206541457 979643455 /nfs/dbraw/zinc/64/34/55/979643455.db2.gz HRQGOAJBBIHBSN-IYXRBSQSSA-N 3 1 237.391 1.319 20 0 BDADMP C[C@]1(CN)CCCC[N@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206541457 979643461 /nfs/dbraw/zinc/64/34/61/979643461.db2.gz HRQGOAJBBIHBSN-IYXRBSQSSA-N 2 1 237.391 1.319 20 0 BDADMP C[C@]1(CN)CCCC[N@@H+](CC23CC([NH3+])(C2)C3)C1 ZINC001206541457 979643468 /nfs/dbraw/zinc/64/34/68/979643468.db2.gz HRQGOAJBBIHBSN-IYXRBSQSSA-N 2 1 237.391 1.319 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206541713 979643899 /nfs/dbraw/zinc/64/38/99/979643899.db2.gz IFLYDCLYPCQZSA-KGLIPLIRSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCCO2)C1 ZINC001206542137 979646685 /nfs/dbraw/zinc/64/66/85/979646685.db2.gz SETURLQEQVSHPP-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCC[NH2+]3)C[C@H]12 ZINC001236821651 979745428 /nfs/dbraw/zinc/74/54/28/979745428.db2.gz WARWIKMLZKFUFV-YIYPIFLZSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2CN(CC[C@H]3CCCC[NH2+]3)C[C@H]12 ZINC001236821651 979745441 /nfs/dbraw/zinc/74/54/41/979745441.db2.gz WARWIKMLZKFUFV-YIYPIFLZSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001205257208 979755309 /nfs/dbraw/zinc/75/53/09/979755309.db2.gz UAXJDMVAHBAVBM-ZIAGYGMSSA-N 3 1 239.407 1.579 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCCCCC[NH3+] ZINC001236865872 979769286 /nfs/dbraw/zinc/76/92/86/979769286.db2.gz RNBBANHJVVJXGS-NSHDSACASA-N 3 1 201.358 1.175 20 0 BDADMP CC[C@H]([NH3+])CN(C)CCCCCC[NH3+] ZINC001236865872 979769307 /nfs/dbraw/zinc/76/93/07/979769307.db2.gz RNBBANHJVVJXGS-NSHDSACASA-N 2 1 201.358 1.175 20 0 BDADMP CC[C@H](N)C[N@H+](C)CCCCCC[NH3+] ZINC001236865872 979769324 /nfs/dbraw/zinc/76/93/24/979769324.db2.gz RNBBANHJVVJXGS-NSHDSACASA-N 2 1 201.358 1.175 20 0 BDADMP CC[C@H](N)C[N@@H+](C)CCCCCC[NH3+] ZINC001236865872 979769342 /nfs/dbraw/zinc/76/93/42/979769342.db2.gz RNBBANHJVVJXGS-NSHDSACASA-N 2 1 201.358 1.175 20 0 BDADMP CC[C@H]([NH3+])CN(C)Cc1[nH]c(C)[nH+]c1C ZINC001236883960 979777837 /nfs/dbraw/zinc/77/78/37/979777837.db2.gz JGHZVFSFRWYLEO-JTQLQIEISA-N 2 1 210.325 1.196 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237036794 979807052 /nfs/dbraw/zinc/80/70/52/979807052.db2.gz CLMSVISNZMYZHJ-MCIONIFRSA-N 2 1 245.370 1.402 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237036794 979807058 /nfs/dbraw/zinc/80/70/58/979807058.db2.gz CLMSVISNZMYZHJ-MCIONIFRSA-N 2 1 245.370 1.402 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)cn2)CC1 ZINC001205264023 979813161 /nfs/dbraw/zinc/81/31/61/979813161.db2.gz GVUNGYZSFFWNBI-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC001205264023 979813162 /nfs/dbraw/zinc/81/31/62/979813162.db2.gz GVUNGYZSFFWNBI-CYBMUJFWSA-N 2 1 237.322 1.924 20 0 BDADMP COC(=O)CCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237374696 979876798 /nfs/dbraw/zinc/87/67/98/979876798.db2.gz HTPXSGOBSYYPEM-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP COC(=O)CCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237374696 979876804 /nfs/dbraw/zinc/87/68/04/979876804.db2.gz HTPXSGOBSYYPEM-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP O=c1[nH]cccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380019 979878148 /nfs/dbraw/zinc/87/81/48/979878148.db2.gz DXUQFHAINTXCJC-AAEUAGOBSA-N 2 1 247.342 1.361 20 0 BDADMP Fc1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001342865367 979922054 /nfs/dbraw/zinc/92/20/54/979922054.db2.gz ZRDODQNCKNTZFJ-BETUJISGSA-N 2 1 234.318 1.519 20 0 BDADMP Cc1coc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)n1 ZINC001237638068 979987274 /nfs/dbraw/zinc/98/72/74/979987274.db2.gz KLTMUXFDZJRLGB-NEPJUHHUSA-N 2 1 235.331 1.367 20 0 BDADMP CC(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001184387965 980058627 /nfs/dbraw/zinc/05/86/27/980058627.db2.gz OCCXOEJXKHLHGN-FRRDWIJNSA-N 2 1 210.365 1.962 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(C(F)F)C3)[C@@H]2C1 ZINC001184389158 980062558 /nfs/dbraw/zinc/06/25/58/980062558.db2.gz VIHOCNCPJBEKFK-NPDAHYRHSA-N 2 1 244.329 1.960 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238104044 980152582 /nfs/dbraw/zinc/15/25/82/980152582.db2.gz RFZJCSWTUMZZNA-BXUZGUMPSA-N 2 1 245.326 1.680 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238104044 980152586 /nfs/dbraw/zinc/15/25/86/980152586.db2.gz RFZJCSWTUMZZNA-BXUZGUMPSA-N 2 1 245.326 1.680 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238119676 980169028 /nfs/dbraw/zinc/16/90/28/980169028.db2.gz PURKOVLQXYCIFM-RISCZKNCSA-N 2 1 245.326 1.680 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238119676 980169036 /nfs/dbraw/zinc/16/90/36/980169036.db2.gz PURKOVLQXYCIFM-RISCZKNCSA-N 2 1 245.326 1.680 20 0 BDADMP C[N@H+]1CCc2ncnc(C3=CCC[NH2+]CC3)c2C1 ZINC001238940974 980378141 /nfs/dbraw/zinc/37/81/41/980378141.db2.gz RTHSYECBJPWWJK-UHFFFAOYSA-N 2 1 244.342 1.231 20 0 BDADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC001345411216 980608769 /nfs/dbraw/zinc/60/87/69/980608769.db2.gz KLJWPUJSTGDDKU-HOAMVYINSA-N 2 1 240.391 1.752 20 0 BDADMP C[NH+](C)Cc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001250275997 980645633 /nfs/dbraw/zinc/64/56/33/980645633.db2.gz TYQXFQMUZFOAGB-UHFFFAOYSA-N 2 1 248.370 1.623 20 0 BDADMP CC(C)[N@@H+](C)CCCNC[C@](C)(O)C(F)F ZINC001346179639 980778488 /nfs/dbraw/zinc/77/84/88/980778488.db2.gz JSBYQUFHDVUHMD-NSHDSACASA-N 2 1 238.322 1.322 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]C[C@](C)(O)C(F)F ZINC001346179639 980778496 /nfs/dbraw/zinc/77/84/96/980778496.db2.gz JSBYQUFHDVUHMD-NSHDSACASA-N 2 1 238.322 1.322 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@](C)(O)C(F)F ZINC001346179639 980778503 /nfs/dbraw/zinc/77/85/03/980778503.db2.gz JSBYQUFHDVUHMD-NSHDSACASA-N 2 1 238.322 1.322 20 0 BDADMP CCc1[nH]c(CN2CC([NH+](C)C)C2)c(C)[nH+]1 ZINC001203235220 980820243 /nfs/dbraw/zinc/82/02/43/980820243.db2.gz RQARLCVBZQKAEJ-UHFFFAOYSA-N 2 1 222.336 1.026 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccccn2)CC1 ZINC001205545991 980945435 /nfs/dbraw/zinc/94/54/35/980945435.db2.gz ODKKJNXFXRHEHT-CYBMUJFWSA-N 2 1 237.322 1.735 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1C[NH3+] ZINC001205599891 981153364 /nfs/dbraw/zinc/15/33/64/981153364.db2.gz AMIDXGNRHNTFIV-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@H](N)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205604860 981182149 /nfs/dbraw/zinc/18/21/49/981182149.db2.gz YHLOYQBVWGRLNF-UTUOFQBUSA-N 2 1 213.369 1.031 20 0 BDADMP CC[C@H]([NH3+])CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205604860 981182157 /nfs/dbraw/zinc/18/21/57/981182157.db2.gz YHLOYQBVWGRLNF-UTUOFQBUSA-N 2 1 213.369 1.031 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc(N(C)C)s1 ZINC001348515066 981381637 /nfs/dbraw/zinc/38/16/37/981381637.db2.gz JLHPFXVTFBRBDJ-SECBINFHSA-N 2 1 242.392 1.297 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(N)n2)CC[C@@H]1C[NH3+] ZINC001205638821 981413093 /nfs/dbraw/zinc/41/30/93/981413093.db2.gz SGCUCAMXGZQNAF-NWDGAFQWSA-N 2 1 248.374 1.471 20 0 BDADMP c1cn2c(cccc2C[NH2+]C2CC[NH2+]CC2)n1 ZINC001580887837 981719206 /nfs/dbraw/zinc/71/92/06/981719206.db2.gz KMYICUOSYVRQEP-UHFFFAOYSA-N 2 1 230.315 1.176 20 0 BDADMP c1cnc([C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cn1 ZINC001580896697 981735425 /nfs/dbraw/zinc/73/54/25/981735425.db2.gz NNAFIUSFCMFTGY-CHWSQXEVSA-N 2 1 246.358 1.266 20 0 BDADMP c1nc(C2CC2)sc1C[NH2+]CC1C[NH2+]C1 ZINC001580897669 981736660 /nfs/dbraw/zinc/73/66/60/981736660.db2.gz WLKOTDFPGZLYMN-UHFFFAOYSA-N 2 1 223.345 1.330 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC001350930317 982127528 /nfs/dbraw/zinc/12/75/28/982127528.db2.gz HJTKROHEACXVAO-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+]1CC=C(c2cccnc2OC2C[NH2+]C2)CC1 ZINC001241332853 982497676 /nfs/dbraw/zinc/49/76/76/982497676.db2.gz LSDJAVCIMHQOQQ-UHFFFAOYSA-N 2 1 245.326 1.151 20 0 BDADMP Cc1cc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC001353635000 982940925 /nfs/dbraw/zinc/94/09/25/982940925.db2.gz FKKYDUHSAVPGLC-GFCCVEGCSA-N 2 1 247.342 1.401 20 0 BDADMP Cc1cc(NC(=O)C[C@H]2CC[N@H+](C)C2)cc(C)[nH+]1 ZINC001353635000 982940938 /nfs/dbraw/zinc/94/09/38/982940938.db2.gz FKKYDUHSAVPGLC-GFCCVEGCSA-N 2 1 247.342 1.401 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000690529121 983009544 /nfs/dbraw/zinc/00/95/44/983009544.db2.gz UIXOZSQPEZPBCX-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205905228 983130520 /nfs/dbraw/zinc/13/05/20/983130520.db2.gz ZJNWWDAJWTXZHG-TZMCWYRMSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)nc(N)[nH+]1 ZINC001354132222 983170220 /nfs/dbraw/zinc/17/02/20/983170220.db2.gz VRMCGAPWQMBMJN-KCJUWKMLSA-N 2 1 247.346 1.262 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201581142 983340838 /nfs/dbraw/zinc/34/08/38/983340838.db2.gz OWJMJOUQQQPFSV-KGLIPLIRSA-N 2 1 248.374 1.194 20 0 BDADMP CC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201581072 983343831 /nfs/dbraw/zinc/34/38/31/983343831.db2.gz MYOCOAGBULBHAT-UHFFFAOYSA-N 2 1 236.363 1.559 20 0 BDADMP CCCC[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001201713803 983421079 /nfs/dbraw/zinc/42/10/79/983421079.db2.gz URSNSEKPFAQRBP-UHFFFAOYSA-N 2 1 244.379 1.603 20 0 BDADMP CCCC[C@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001252108675 983682050 /nfs/dbraw/zinc/68/20/50/983682050.db2.gz QXEUUIXRGWOOFJ-JTQLQIEISA-N 2 1 211.309 1.093 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(O)CCC[NH2+]C1)c1ccsc1 ZINC001573571117 984038348 /nfs/dbraw/zinc/03/83/48/984038348.db2.gz FHGWQBMZCNAUHB-CMPLNLGQSA-N 2 1 240.372 1.513 20 0 BDADMP COCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981030 984174404 /nfs/dbraw/zinc/17/44/04/984174404.db2.gz BEYBJJXUCGXWQK-NEPJUHHUSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576273293 984167274 /nfs/dbraw/zinc/16/72/74/984167274.db2.gz UFZOJLQEOBDFLQ-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@]1(C)C[NH2+]CCO1 ZINC001576690647 984181018 /nfs/dbraw/zinc/18/10/18/984181018.db2.gz LHKBIRDVGMOCKY-RDBSUJKOSA-N 2 1 240.391 1.781 20 0 BDADMP CC[C@](C)(C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2)OC ZINC001576950047 984184214 /nfs/dbraw/zinc/18/42/14/984184214.db2.gz YYVIFOYNWRSFNW-JHJVBQTASA-N 2 1 226.364 1.676 20 0 BDADMP CCOC(=O)C(CC)(CC)[NH2+]CCC1C[NH2+]C1 ZINC001577908305 984202788 /nfs/dbraw/zinc/20/27/88/984202788.db2.gz GBPKCCYADXBHBA-UHFFFAOYSA-N 2 1 242.363 1.307 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001578241814 984210583 /nfs/dbraw/zinc/21/05/83/984210583.db2.gz MWGLVLGJINWPJN-RQJABVFESA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(C)COC2)CCC[C@@H]1C[NH3+] ZINC001205984334 984216360 /nfs/dbraw/zinc/21/63/60/984216360.db2.gz RURHCQDZDMGJAM-VXGBXAGGSA-N 2 1 226.364 1.330 20 0 BDADMP C[N@H+]1CCc2cc(C3=CC[NH2+]C3)ccc2C1 ZINC001243112499 984579325 /nfs/dbraw/zinc/57/93/25/984579325.db2.gz ZLTXOKACIALXRO-UHFFFAOYSA-N 2 1 214.312 1.661 20 0 BDADMP CC[N@@H+](CCc1cccs1)C[C@H](O)CC[NH3+] ZINC001577728705 984685459 /nfs/dbraw/zinc/68/54/59/984685459.db2.gz LYBUYLAFVQLTOL-LLVKDONJSA-N 2 1 242.388 1.322 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H](CC[NH3+])C(F)F)C1 ZINC001577771073 984779983 /nfs/dbraw/zinc/77/99/83/984779983.db2.gz RLAKUXPHCNVXPS-ZJUUUORDSA-N 2 1 235.322 1.043 20 0 BDADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ccon3)CC2)C1 ZINC001276066062 984809726 /nfs/dbraw/zinc/80/97/26/984809726.db2.gz HOMWPEPRDGIDBG-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccon3)CC2)C1 ZINC001276066062 984809728 /nfs/dbraw/zinc/80/97/28/984809728.db2.gz HOMWPEPRDGIDBG-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP Cn1cncc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276144711 984819956 /nfs/dbraw/zinc/81/99/56/984819956.db2.gz BRWPTRAADOPAPM-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1cncc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276144711 984819957 /nfs/dbraw/zinc/81/99/57/984819957.db2.gz BRWPTRAADOPAPM-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1cncc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276144711 984819958 /nfs/dbraw/zinc/81/99/58/984819958.db2.gz BRWPTRAADOPAPM-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP CCOC(=O)C1(C)CC([NH2+]C(C)(C)C[NH3+])C1 ZINC001577925221 984821293 /nfs/dbraw/zinc/82/12/93/984821293.db2.gz GESYQOAZJZAYML-UHFFFAOYSA-N 2 1 228.336 1.045 20 0 BDADMP CCOC(=O)CC(C)(C)C[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001577939547 984823228 /nfs/dbraw/zinc/82/32/28/984823228.db2.gz KXGCYBFXBNNPDA-MNOVXSKESA-N 2 1 242.363 1.306 20 0 BDADMP CCOC(=O)CC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC001577948561 984827935 /nfs/dbraw/zinc/82/79/35/984827935.db2.gz GMLIGPMRAPLAOK-GFCCVEGCSA-N 2 1 242.363 1.261 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)n1 ZINC001276274507 984839395 /nfs/dbraw/zinc/83/93/95/984839395.db2.gz YMBNWUSPIAJNHU-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)n1 ZINC001276274507 984839396 /nfs/dbraw/zinc/83/93/96/984839396.db2.gz YMBNWUSPIAJNHU-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)n1 ZINC001276274507 984839397 /nfs/dbraw/zinc/83/93/97/984839397.db2.gz YMBNWUSPIAJNHU-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+]C[C@H]([NH3+])CC(F)F ZINC001578160812 984863688 /nfs/dbraw/zinc/86/36/88/984863688.db2.gz DMQKLCLZSYYWPF-MRTMQBJTSA-N 2 1 222.279 1.126 20 0 BDADMP CCO[C@@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001578098210 984849909 /nfs/dbraw/zinc/84/99/09/984849909.db2.gz UMRHUSWGTAZMDS-GHMZBOCLSA-N 2 1 214.353 1.661 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H]1SC ZINC001578241705 984895587 /nfs/dbraw/zinc/89/55/87/984895587.db2.gz ISQLQRDUQOMFMW-VPOLOUISSA-N 2 1 214.378 1.611 20 0 BDADMP CCc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001578259623 984907639 /nfs/dbraw/zinc/90/76/39/984907639.db2.gz AKBAVOZUGBFAQW-KGLIPLIRSA-N 2 1 245.370 1.685 20 0 BDADMP CCc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001578259623 984907645 /nfs/dbraw/zinc/90/76/45/984907645.db2.gz AKBAVOZUGBFAQW-KGLIPLIRSA-N 2 1 245.370 1.685 20 0 BDADMP CCc1ccc(C[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC001578260025 984911344 /nfs/dbraw/zinc/91/13/44/984911344.db2.gz YHIDESNYONVWMP-AWEZNQCLSA-N 2 1 234.343 1.063 20 0 BDADMP CCc1ccc2c(c1)C[N@H+](C[C@@](C)(O)C[NH3+])CC2 ZINC001578263787 984914537 /nfs/dbraw/zinc/91/45/37/984914537.db2.gz YCIHNUDXIBYWCV-HNNXBMFYSA-N 2 1 248.370 1.317 20 0 BDADMP CCn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(C)n1 ZINC001578348453 984983644 /nfs/dbraw/zinc/98/36/44/984983644.db2.gz SRTGGPFHDQXCGG-PWSUYJOCSA-N 2 1 236.363 1.157 20 0 BDADMP CCn1cnc(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC001578357288 984999163 /nfs/dbraw/zinc/99/91/63/984999163.db2.gz RHWSDCCUCYQDCU-QMMMGPOBSA-N 2 1 230.743 1.241 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@@H]1O)CC1(C[NH3+])CCC1 ZINC001578451306 985081063 /nfs/dbraw/zinc/08/10/63/985081063.db2.gz GPMMKSHZSQPADT-RYUDHWBXSA-N 2 1 226.364 1.208 20 0 BDADMP C[N@H+](C[C@H]1CCC2(CCC2)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450778 985084137 /nfs/dbraw/zinc/08/41/37/985084137.db2.gz ZSPNKHBPPOTMKO-NDBYEHHHSA-N 2 1 236.359 1.238 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(CCC2)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450778 985084156 /nfs/dbraw/zinc/08/41/56/985084156.db2.gz ZSPNKHBPPOTMKO-NDBYEHHHSA-N 2 1 236.359 1.238 20 0 BDADMP C[N@@H+](C[C@@H](O)c1ccccn1)CC1CC[NH2+]CC1 ZINC001578457562 985090352 /nfs/dbraw/zinc/09/03/52/985090352.db2.gz BQWZGVGZZVJFDU-CQSZACIVSA-N 2 1 249.358 1.046 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)O1 ZINC000686514913 985126709 /nfs/dbraw/zinc/12/67/09/985126709.db2.gz KJESRDPUDIJKTR-UJPOAAIJSA-N 2 1 226.364 1.530 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@H]([NH3+])C3(C)C)[C@@H]2C1 ZINC001578521174 985140449 /nfs/dbraw/zinc/14/04/49/985140449.db2.gz MJYGAVWFDYMWRC-FPYNETTCSA-N 2 1 237.391 1.042 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001578524475 985147983 /nfs/dbraw/zinc/14/79/83/985147983.db2.gz XCNWFGHCTRXIDI-KGLIPLIRSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(CN2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001578524475 985147992 /nfs/dbraw/zinc/14/79/92/985147992.db2.gz XCNWFGHCTRXIDI-KGLIPLIRSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3CCC[C@]3(N)C2)CC1 ZINC001578524475 985148001 /nfs/dbraw/zinc/14/80/01/985148001.db2.gz XCNWFGHCTRXIDI-KGLIPLIRSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3CCC[C@]3(N)C2)CC1 ZINC001578524475 985148010 /nfs/dbraw/zinc/14/80/10/985148010.db2.gz XCNWFGHCTRXIDI-KGLIPLIRSA-N 2 1 237.391 1.141 20 0 BDADMP C[N@H+]1CCC[C@@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC001578528489 985149591 /nfs/dbraw/zinc/14/95/91/985149591.db2.gz IBFZXSBRAMSIMY-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP CN1CC[C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001578541113 985175094 /nfs/dbraw/zinc/17/50/94/985175094.db2.gz PUPMXFHQFKSMJY-MCIONIFRSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2cccc(C)c2C1 ZINC001578621457 985228802 /nfs/dbraw/zinc/22/88/02/985228802.db2.gz HXOLJCWFOZIFBY-HNNXBMFYSA-N 2 1 248.370 1.324 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2cccc(C)c2C1 ZINC001578621457 985228814 /nfs/dbraw/zinc/22/88/14/985228814.db2.gz HXOLJCWFOZIFBY-HNNXBMFYSA-N 2 1 248.370 1.324 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@H](O)C(C)C ZINC001578662036 985274843 /nfs/dbraw/zinc/27/48/43/985274843.db2.gz ASFVGXHPJWISLQ-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@H](O)C(C)C ZINC001578662036 985274849 /nfs/dbraw/zinc/27/48/49/985274849.db2.gz ASFVGXHPJWISLQ-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC001578653699 985275238 /nfs/dbraw/zinc/27/52/38/985275238.db2.gz CFNSYNXCCFWOMY-SNPRPXQTSA-N 2 1 248.370 1.650 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC001578654347 985276376 /nfs/dbraw/zinc/27/63/76/985276376.db2.gz NBRCQFZWHKCXIG-GRYCIOLGSA-N 2 1 226.364 1.077 20 0 BDADMP CNc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001578763090 985328583 /nfs/dbraw/zinc/32/85/83/985328583.db2.gz AZPWGXLLEUZAGB-GFCCVEGCSA-N 2 1 233.359 1.899 20 0 BDADMP COC(=O)C[N@H+](CC(C)C)C[C@@H](C[NH3+])C(C)C ZINC001578812473 985384519 /nfs/dbraw/zinc/38/45/19/985384519.db2.gz VBTOFTRJOQYHJR-GFCCVEGCSA-N 2 1 244.379 1.348 20 0 BDADMP COC(=O)C[N@@H+](CC(C)C)C[C@@H](C[NH3+])C(C)C ZINC001578812473 985384523 /nfs/dbraw/zinc/38/45/23/985384523.db2.gz VBTOFTRJOQYHJR-GFCCVEGCSA-N 2 1 244.379 1.348 20 0 BDADMP CO[C@@](C)(C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC001578895856 985455135 /nfs/dbraw/zinc/45/51/35/985455135.db2.gz BMMAUHOCFAWBAE-VOAKCMCISA-N 2 1 224.348 1.284 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000688028879 985500900 /nfs/dbraw/zinc/50/09/00/985500900.db2.gz IMWBYNBRCGOEPN-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CCC1 ZINC001578908959 985502375 /nfs/dbraw/zinc/50/23/75/985502375.db2.gz NKKSODFEHGIKQN-MCIONIFRSA-N 2 1 238.375 1.343 20 0 BDADMP CO[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)CC(C)C ZINC001578913079 985516278 /nfs/dbraw/zinc/51/62/78/985516278.db2.gz RAOKRSLZZGLNER-VXGBXAGGSA-N 2 1 214.353 1.374 20 0 BDADMP COC1(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC001578926073 985520660 /nfs/dbraw/zinc/52/06/60/985520660.db2.gz BHXLKLMMXTVMBK-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP COC1(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC001578926073 985520681 /nfs/dbraw/zinc/52/06/81/985520681.db2.gz BHXLKLMMXTVMBK-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP COC1(CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578927366 985537222 /nfs/dbraw/zinc/53/72/22/985537222.db2.gz WLGKMBLFPBHXOW-GXTWGEPZSA-N 2 1 238.375 1.759 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCC2 ZINC001578935712 985541157 /nfs/dbraw/zinc/54/11/57/985541157.db2.gz KNDZQEAURZAWIA-DDHJBXDOSA-N 2 1 224.348 1.142 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])CC1 ZINC001578937809 985554866 /nfs/dbraw/zinc/55/48/66/985554866.db2.gz OYNUWWKBTCAPCW-GHMZBOCLSA-N 2 1 214.353 1.661 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578938636 985555931 /nfs/dbraw/zinc/55/59/31/985555931.db2.gz UCEVGOPEUOTFJA-YVECIDJPSA-N 2 1 224.348 1.095 20 0 BDADMP COC[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)C(C)C ZINC001578961315 985583306 /nfs/dbraw/zinc/58/33/06/985583306.db2.gz HHWJFKZXGBBMIS-NEPJUHHUSA-N 2 1 214.353 1.232 20 0 BDADMP COCC1(C[NH2+]C(C)(C)C[NH3+])CCC1 ZINC001578983048 985603178 /nfs/dbraw/zinc/60/31/78/985603178.db2.gz YTOQEOPYHIJQBF-UHFFFAOYSA-N 2 1 200.326 1.130 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+]C(C)(C)CC(F)(F)F ZINC001579000680 985642143 /nfs/dbraw/zinc/64/21/43/985642143.db2.gz APOCZRLUAJTABH-MRVPVSSYSA-N 2 1 242.285 1.671 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+](CCOC)C1CCCC1 ZINC001579000305 985642304 /nfs/dbraw/zinc/64/23/04/985642304.db2.gz RSECJLIKCOMZDN-GFCCVEGCSA-N 2 1 244.379 1.241 20 0 BDADMP COCC[C@H]([NH3+])C[N@@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC001579000041 985647936 /nfs/dbraw/zinc/64/79/36/985647936.db2.gz NHYSUUPKXLUVIN-STQMWFEESA-N 2 1 240.391 1.861 20 0 BDADMP COCC[C@H]([NH3+])C[N@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC001579000041 985647946 /nfs/dbraw/zinc/64/79/46/985647946.db2.gz NHYSUUPKXLUVIN-STQMWFEESA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@]2(C[NH3+])CCCC[C@@H]2C)C1 ZINC001579129069 985803407 /nfs/dbraw/zinc/80/34/07/985803407.db2.gz FDOFNZXUJQCZSO-FQUUOJAGSA-N 2 1 240.391 1.909 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C1 ZINC001579133481 985807968 /nfs/dbraw/zinc/80/79/68/985807968.db2.gz QYXNHPVOVPKLGX-UTUOFQBUSA-N 2 1 212.337 1.095 20 0 BDADMP COc1cc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)ccn1 ZINC001579145861 985813013 /nfs/dbraw/zinc/81/30/13/985813013.db2.gz DEAQGKKDNOUIDS-NTZNESFSSA-N 2 1 249.358 1.219 20 0 BDADMP CS[C@H]1CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001579366920 985861984 /nfs/dbraw/zinc/86/19/84/985861984.db2.gz GOCWBDGHMZUXFU-KATARQTJSA-N 2 1 200.351 1.220 20 0 BDADMP C[C@H](CC1CC1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001258452143 985895288 /nfs/dbraw/zinc/89/52/88/985895288.db2.gz ZCSDWYLYQSNMQH-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC001579454478 985939872 /nfs/dbraw/zinc/93/98/72/985939872.db2.gz FPKOLCJQWALNIQ-FRRDWIJNSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccnn1CC1CC1 ZINC001579460767 985958750 /nfs/dbraw/zinc/95/87/50/985958750.db2.gz LUUVMSMODXVWQA-YPMHNXCESA-N 2 1 248.374 1.238 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@H]1CCCC[C@H]1O)C2 ZINC001579473583 985982608 /nfs/dbraw/zinc/98/26/08/985982608.db2.gz GJSVDTFSAZQBTP-SYQHCUMBSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCSC1 ZINC001579499212 986030670 /nfs/dbraw/zinc/03/06/70/986030670.db2.gz DOHBYGZIWYQULJ-KXUCPTDWSA-N 2 1 200.351 1.222 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc(C)n1 ZINC001579598447 986115659 /nfs/dbraw/zinc/11/56/59/986115659.db2.gz WJMWNNWOKJQPAZ-OLZOCXBDSA-N 2 1 246.358 1.135 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc(C)n1 ZINC001579598447 986115703 /nfs/dbraw/zinc/11/57/03/986115703.db2.gz WJMWNNWOKJQPAZ-OLZOCXBDSA-N 2 1 246.358 1.135 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@](C)(O)C2)CC1 ZINC001258772600 986157783 /nfs/dbraw/zinc/15/77/83/986157783.db2.gz UQLBLILWKGCKJF-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP Cc1ccc(C)c(C[NH2+]C[C@]2(O)CC[NH2+]C2)c1 ZINC001579672979 986175208 /nfs/dbraw/zinc/17/52/08/986175208.db2.gz RHSSMOZPMIMMNH-AWEZNQCLSA-N 2 1 234.343 1.117 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[NH2+]C2)c(C)c1 ZINC001579696736 986193588 /nfs/dbraw/zinc/19/35/88/986193588.db2.gz CFUNEVDEAOEGBP-CQSZACIVSA-N 2 1 234.343 1.117 20 0 BDADMP Cc1cnc([C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)o1 ZINC001579818777 986239646 /nfs/dbraw/zinc/23/96/46/986239646.db2.gz FUCBRAPAHWRLBD-NSHDSACASA-N 2 1 237.347 1.975 20 0 BDADMP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001579819789 986240740 /nfs/dbraw/zinc/24/07/40/986240740.db2.gz RQQJOPPJPDNPJT-YUSALJHKSA-N 2 1 234.347 1.373 20 0 BDADMP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001579819789 986240752 /nfs/dbraw/zinc/24/07/52/986240752.db2.gz RQQJOPPJPDNPJT-YUSALJHKSA-N 2 1 234.347 1.373 20 0 BDADMP Cc1nnc([C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)[nH]1 ZINC001579837657 986259104 /nfs/dbraw/zinc/25/91/04/986259104.db2.gz QDJSPIQYWCLVOX-VIFPVBQESA-N 2 1 237.351 1.106 20 0 BDADMP Cc1nc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC001579845653 986270575 /nfs/dbraw/zinc/27/05/75/986270575.db2.gz CPGGZVWZTHNDAE-FXPVBKGRSA-N 2 1 238.335 1.356 20 0 BDADMP Cc1nc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC001579845653 986270585 /nfs/dbraw/zinc/27/05/85/986270585.db2.gz CPGGZVWZTHNDAE-FXPVBKGRSA-N 2 1 238.335 1.356 20 0 BDADMP Cc1nnc([C@@H]2CC[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)[nH]1 ZINC001579853052 986275195 /nfs/dbraw/zinc/27/51/95/986275195.db2.gz NRHFETGSKQPTEM-QJPTWQEYSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1n[nH]c([C@@H]2CC[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)n1 ZINC001579853052 986275214 /nfs/dbraw/zinc/27/52/14/986275214.db2.gz NRHFETGSKQPTEM-QJPTWQEYSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)n1 ZINC001579853052 986275224 /nfs/dbraw/zinc/27/52/24/986275224.db2.gz NRHFETGSKQPTEM-QJPTWQEYSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1nc([C@@H]2CC[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)n[nH]1 ZINC001579853052 986275239 /nfs/dbraw/zinc/27/52/39/986275239.db2.gz NRHFETGSKQPTEM-QJPTWQEYSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1nc([C@@H]2CC[N@@H+](C[C@H]3CC[C@@H]([NH3+])C3)C2)n[nH]1 ZINC001579853052 986275255 /nfs/dbraw/zinc/27/52/55/986275255.db2.gz NRHFETGSKQPTEM-QJPTWQEYSA-N 2 1 249.362 1.030 20 0 BDADMP C[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001258817082 986279851 /nfs/dbraw/zinc/27/98/51/986279851.db2.gz MTSCGWYNYHAKLG-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](O)C1 ZINC001258907032 986308465 /nfs/dbraw/zinc/30/84/65/986308465.db2.gz DEXITYAKJNNTHJ-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP Cc1nnc([C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)o1 ZINC001579897548 986319243 /nfs/dbraw/zinc/31/92/43/986319243.db2.gz UFQJOKAWMKIYRZ-VIFPVBQESA-N 2 1 238.335 1.370 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC001579969387 986369349 /nfs/dbraw/zinc/36/93/49/986369349.db2.gz HNMJKZLFJKAJDD-CYZMBNFOSA-N 2 1 248.374 1.254 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cn1 ZINC001579969442 986370880 /nfs/dbraw/zinc/37/08/80/986370880.db2.gz KJYODCUJNYUBON-QIWZIZFYSA-N 2 1 246.358 1.006 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[NH2+][C@H]2C[NH2+]CC2(C)C)cn1 ZINC001579969897 986374636 /nfs/dbraw/zinc/37/46/36/986374636.db2.gz OIXFUCOWJIHONR-UHTWSYAYSA-N 2 1 248.374 1.111 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC001579970452 986374953 /nfs/dbraw/zinc/37/49/53/986374953.db2.gz XJRBWEBCFZVCIW-MBNYWOFBSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1ncc(C[NH3+])c1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001580002497 986402386 /nfs/dbraw/zinc/40/23/86/986402386.db2.gz WEDHTUITCFWLID-LBPRGKRZSA-N 2 1 248.374 1.501 20 0 BDADMP FC1(F)[C@H]2CC[N@@H+](CCC3C[NH2+]C3)C[C@H]21 ZINC001580023827 986428568 /nfs/dbraw/zinc/42/85/68/986428568.db2.gz HLHBBXFRAYVGQL-VHSXEESVSA-N 2 1 216.275 1.183 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)nc1 ZINC000689442448 986611660 /nfs/dbraw/zinc/61/16/60/986611660.db2.gz AGXWRASHSTWYNQ-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000379340123 986635886 /nfs/dbraw/zinc/63/58/86/986635886.db2.gz XLPMPTNYMUJPJK-UWVGGRQHSA-N 2 1 216.394 1.940 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC000379340123 986635897 /nfs/dbraw/zinc/63/58/97/986635897.db2.gz XLPMPTNYMUJPJK-UWVGGRQHSA-N 2 1 216.394 1.940 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](C)CC2)C[C@]1(C)O ZINC001254516441 986649591 /nfs/dbraw/zinc/64/95/91/986649591.db2.gz MJTKZWHPKMWMOB-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](C)CC2)C[C@]1(C)O ZINC001254516441 986649617 /nfs/dbraw/zinc/64/96/17/986649617.db2.gz MJTKZWHPKMWMOB-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C[C@]1(C)O ZINC001254516441 986649642 /nfs/dbraw/zinc/64/96/42/986649642.db2.gz MJTKZWHPKMWMOB-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+]C[C@@]12C[N@@H+](Cc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580254498 986712272 /nfs/dbraw/zinc/71/22/72/986712272.db2.gz CZCCNACGBKZQAM-STQMWFEESA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]CC[C@@H](O)C[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001580284966 986732004 /nfs/dbraw/zinc/73/20/04/986732004.db2.gz YXOGHPIUMNVHFJ-MJBXVCDLSA-N 2 1 238.375 1.207 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCOCC2)C1 ZINC001255030778 986782551 /nfs/dbraw/zinc/78/25/51/986782551.db2.gz MQZHJKIUMOVLSE-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CCN1CCC([N@@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383652601 986820412 /nfs/dbraw/zinc/82/04/12/986820412.db2.gz DVJBSQSKHZMXNI-CYBMUJFWSA-N 2 1 239.407 1.532 20 0 BDADMP CCN1CCC([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383652601 986820418 /nfs/dbraw/zinc/82/04/18/986820418.db2.gz DVJBSQSKHZMXNI-CYBMUJFWSA-N 2 1 239.407 1.532 20 0 BDADMP CCC[N@@H+](C[C@@H](O)C[NH+](CC)CC)CC1CC1 ZINC000383573867 986820550 /nfs/dbraw/zinc/82/05/50/986820550.db2.gz KOVMOZJXPSYAJJ-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc32)C1 ZINC001580430294 986847903 /nfs/dbraw/zinc/84/79/03/986847903.db2.gz KYUXFJZCJSHFJR-GMTAPVOTSA-N 2 1 203.289 1.148 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC001580430293 986848273 /nfs/dbraw/zinc/84/82/73/986848273.db2.gz KYUXFJZCJSHFJR-DCAQKATOSA-N 2 1 203.289 1.148 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc3cccnc3o2)C1 ZINC001580430776 986848483 /nfs/dbraw/zinc/84/84/83/986848483.db2.gz ZGOBKLUTWJQGNM-MGCOHNPYSA-N 2 1 217.272 1.407 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC001580431635 986849515 /nfs/dbraw/zinc/84/95/15/986849515.db2.gz PRIHVWYVUKMMCI-XYPYZODXSA-N 2 1 220.320 1.187 20 0 BDADMP CC[N@@H+](CCCC[NH3+])C1CCOCC1 ZINC000716379902 986971302 /nfs/dbraw/zinc/97/13/02/986971302.db2.gz MSDOAFMOTLVJEK-UHFFFAOYSA-N 2 1 200.326 1.226 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255566237 987020203 /nfs/dbraw/zinc/02/02/03/987020203.db2.gz DXHONKYZFFNOSE-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)o1 ZINC000689717547 987096500 /nfs/dbraw/zinc/09/65/00/987096500.db2.gz QWQONFHERGPJED-XSXPHNMFSA-N 2 1 246.354 1.717 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC001245999932 987278987 /nfs/dbraw/zinc/27/89/87/987278987.db2.gz KJEZLLSWLHZILS-AAEUAGOBSA-N 2 1 238.331 1.056 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000693030510 987302400 /nfs/dbraw/zinc/30/24/00/987302400.db2.gz HUBRFBSTBNSSFC-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246019906 987305771 /nfs/dbraw/zinc/30/57/71/987305771.db2.gz IYADGHULFSODLI-YNEHKIRRSA-N 2 1 228.380 1.310 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246023079 987313429 /nfs/dbraw/zinc/31/34/29/987313429.db2.gz RZTWDFNUDABOGW-AAEUAGOBSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCC[C@H]1C[NH3+] ZINC001246027432 987325693 /nfs/dbraw/zinc/32/56/93/987325693.db2.gz HNTMTITULVOXRS-QWRGUYRKSA-N 2 1 214.353 1.064 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246030153 987331895 /nfs/dbraw/zinc/33/18/95/987331895.db2.gz FBCQEQSHVWNTBU-NWDGAFQWSA-N 2 1 214.353 1.208 20 0 BDADMP CC(C)[C@@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246036886 987338461 /nfs/dbraw/zinc/33/84/61/987338461.db2.gz VIYVFZNXBIANIX-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246036886 987338471 /nfs/dbraw/zinc/33/84/71/987338471.db2.gz VIYVFZNXBIANIX-STQMWFEESA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246071719 987357513 /nfs/dbraw/zinc/35/75/13/987357513.db2.gz CDIPUQWLDSYVTF-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC1([NH3+])CCCC1)C2 ZINC001246077388 987366781 /nfs/dbraw/zinc/36/67/81/987366781.db2.gz WATUDMBEZONBSN-CLLJXQQHSA-N 2 1 237.391 1.473 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCCCCCCC[NH3+])C[NH2+]1 ZINC001246082210 987377787 /nfs/dbraw/zinc/37/77/87/987377787.db2.gz VYLCVSSXPLJTRG-OLZOCXBDSA-N 3 1 227.396 1.626 20 0 BDADMP CCOC(=O)CC[C@@H](C)[NH2+][C@H]1CC[C@H](C)NC1 ZINC001246084612 987380727 /nfs/dbraw/zinc/38/07/27/987380727.db2.gz KVXDGDRESCJTNR-TUAOUCFPSA-N 2 1 242.363 1.448 20 0 BDADMP CCOC(=O)CC[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246084612 987380736 /nfs/dbraw/zinc/38/07/36/987380736.db2.gz KVXDGDRESCJTNR-TUAOUCFPSA-N 2 1 242.363 1.448 20 0 BDADMP CCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[C@H](C)NC1 ZINC001246084610 987381822 /nfs/dbraw/zinc/38/18/22/987381822.db2.gz KVXDGDRESCJTNR-SRVKXCTJSA-N 2 1 242.363 1.448 20 0 BDADMP CCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246084610 987381833 /nfs/dbraw/zinc/38/18/33/987381833.db2.gz KVXDGDRESCJTNR-SRVKXCTJSA-N 2 1 242.363 1.448 20 0 BDADMP CCOC(=O)CC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090215 987394583 /nfs/dbraw/zinc/39/45/83/987394583.db2.gz JZOFKMTVWVOWGE-NEPJUHHUSA-N 2 1 242.363 1.450 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246093076 987402380 /nfs/dbraw/zinc/40/23/80/987402380.db2.gz VCJZHEPRBRHJJD-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246096844 987410187 /nfs/dbraw/zinc/41/01/87/987410187.db2.gz NAYSBABUHDRKKL-NDBYEHHHSA-N 3 1 225.380 1.105 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246098976 987413973 /nfs/dbraw/zinc/41/39/73/987413973.db2.gz QSHYTQBWPDFXLD-QWHCGFSZSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)[NH2+]C1 ZINC001246102350 987424238 /nfs/dbraw/zinc/42/42/38/987424238.db2.gz DFTZALFFSIXBJC-GRYCIOLGSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246101266 987425169 /nfs/dbraw/zinc/42/51/69/987425169.db2.gz ITSOYIRQKRUYPX-NQBHXWOUSA-N 2 1 222.332 1.798 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108068 987437829 /nfs/dbraw/zinc/43/78/29/987437829.db2.gz BVLBOLLZIJCMSK-ZBBUEOHVSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCC[N@H+](C)C1 ZINC001246113929 987451792 /nfs/dbraw/zinc/45/17/92/987451792.db2.gz UVQGJHKLNGRQRS-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCC[N@@H+](C)C1 ZINC001246113929 987451796 /nfs/dbraw/zinc/45/17/96/987451796.db2.gz UVQGJHKLNGRQRS-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246116074 987453571 /nfs/dbraw/zinc/45/35/71/987453571.db2.gz DKWDIJKLYITREK-JHJVBQTASA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246116815 987458783 /nfs/dbraw/zinc/45/87/83/987458783.db2.gz XENNVWKZDNDHJP-FRRDWIJNSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1CN[C@H]1CCC[N@@H+](C)CC1 ZINC001246117233 987459387 /nfs/dbraw/zinc/45/93/87/987459387.db2.gz YIMOREFDAULWJE-MCIONIFRSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001246117233 987459397 /nfs/dbraw/zinc/45/93/97/987459397.db2.gz YIMOREFDAULWJE-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001246117233 987459407 /nfs/dbraw/zinc/45/94/07/987459407.db2.gz YIMOREFDAULWJE-MCIONIFRSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC001246127397 987472025 /nfs/dbraw/zinc/47/20/25/987472025.db2.gz KKIOMTJLYRLMAF-ZOBORPQBSA-N 3 1 237.391 1.106 20 0 BDADMP CCCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135368 987494516 /nfs/dbraw/zinc/49/45/16/987494516.db2.gz RWUIETAOXCZXSC-AAVRWANBSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC23CC[NH2+]CC3)C[NH2+]1 ZINC001246137613 987494784 /nfs/dbraw/zinc/49/47/84/987494784.db2.gz JMKMVQNOKFLQLJ-JHJVBQTASA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001116293395 987511072 /nfs/dbraw/zinc/51/10/72/987511072.db2.gz ARJFASLJNKKDMY-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001116293395 987511084 /nfs/dbraw/zinc/51/10/84/987511084.db2.gz ARJFASLJNKKDMY-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CCCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246153455 987511387 /nfs/dbraw/zinc/51/13/87/987511387.db2.gz SAYKAVZDBTXMBE-NEPJUHHUSA-N 2 1 244.379 1.825 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](C)C1 ZINC001246153870 987515135 /nfs/dbraw/zinc/51/51/35/987515135.db2.gz ULNXHZOQKPXXFR-SRVKXCTJSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246176272 987542102 /nfs/dbraw/zinc/54/21/02/987542102.db2.gz OBNXBXRUVVZXIT-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@@H]2CCCO2)C1 ZINC000401222400 987542582 /nfs/dbraw/zinc/54/25/82/987542582.db2.gz ZZIIYHDGQBIRSX-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@@H]2CCCO2)C1 ZINC000401222400 987542587 /nfs/dbraw/zinc/54/25/87/987542587.db2.gz ZZIIYHDGQBIRSX-WOPDTQHZSA-N 2 1 212.337 1.225 20 0 BDADMP c1cc(CCC[NH2+][C@@H]2CCC[NH2+]C2)ccn1 ZINC001246174215 987543122 /nfs/dbraw/zinc/54/31/22/987543122.db2.gz DCKCQJMAAWDBCA-CYBMUJFWSA-N 2 1 219.332 1.356 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246176270 987544719 /nfs/dbraw/zinc/54/47/19/987544719.db2.gz OBNXBXRUVVZXIT-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCCc2ccncc2)C[NH2+]1 ZINC001246177984 987550095 /nfs/dbraw/zinc/55/00/95/987550095.db2.gz XEWZQHSGJYTKCC-JSGCOSHPSA-N 2 1 233.359 1.744 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CC[NH2+]1 ZINC001246184357 987560570 /nfs/dbraw/zinc/56/05/70/987560570.db2.gz KGDRZMQFEPZSRL-MFKMUULPSA-N 2 1 247.342 1.016 20 0 BDADMP C([NH2+]C1CCC2(CC[NH2+]CC2)CC1)[C@@H]1CCN1 ZINC001246199475 987596478 /nfs/dbraw/zinc/59/64/78/987596478.db2.gz KJDJRIHCWHTEJL-ZDUSSCGKSA-N 2 1 237.391 1.250 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(F)CCOCC2)CC[NH2+]1 ZINC001246216569 987613810 /nfs/dbraw/zinc/61/38/10/987613810.db2.gz MCAMLYDNZWELKF-WDEREUQCSA-N 2 1 230.327 1.235 20 0 BDADMP C[C@@H](C[NH2+]C1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001473931071 987620017 /nfs/dbraw/zinc/62/00/17/987620017.db2.gz DIXNADFXDADRFA-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](C[NH2+]C1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001473931071 987620020 /nfs/dbraw/zinc/62/00/20/987620020.db2.gz DIXNADFXDADRFA-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C1C[C@H]2CC[C@H]([NH2+][C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC001246230572 987625596 /nfs/dbraw/zinc/62/55/96/987625596.db2.gz PQCQSIZUZNCYRN-CYDGBPFRSA-N 2 1 208.349 1.907 20 0 BDADMP C(C[C@@H]1CCCC[NH2+]1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246238968 987639794 /nfs/dbraw/zinc/63/97/94/987639794.db2.gz BNDPOKYWBYTPEP-ICIURTGMSA-N 3 1 237.391 1.391 20 0 BDADMP CCCNCC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246272723 987666702 /nfs/dbraw/zinc/66/67/02/987666702.db2.gz VEQSBEKCWUQOQB-CYBMUJFWSA-N 2 1 239.407 1.498 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246279920 987673303 /nfs/dbraw/zinc/67/33/03/987673303.db2.gz OFKDVKFOWMWQFX-WISYIIOYSA-N 2 1 240.347 1.058 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001474302595 987682202 /nfs/dbraw/zinc/68/22/02/987682202.db2.gz ZTWOQJDDBYHELJ-IACUBPJLSA-N 2 1 248.374 1.456 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001474302595 987682207 /nfs/dbraw/zinc/68/22/07/987682207.db2.gz ZTWOQJDDBYHELJ-IACUBPJLSA-N 2 1 248.374 1.456 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccoc3)[C@@H]2C1 ZINC001474303261 987682407 /nfs/dbraw/zinc/68/24/07/987682407.db2.gz VJHCZDWDPVOSTB-YNEHKIRRSA-N 2 1 220.316 1.709 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccoc3)[C@@H]2C1 ZINC001474303261 987682411 /nfs/dbraw/zinc/68/24/11/987682411.db2.gz VJHCZDWDPVOSTB-YNEHKIRRSA-N 2 1 220.316 1.709 20 0 BDADMP CCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246297002 987689581 /nfs/dbraw/zinc/68/95/81/987689581.db2.gz DDRGUOHJDVJFCW-QJPTWQEYSA-N 2 1 214.353 1.125 20 0 BDADMP CC1(C)CCC[C@H]([NH2+][C@H]2C[NH2+]C[C@@H]2CO)C1 ZINC001246301568 987696094 /nfs/dbraw/zinc/69/60/94/987696094.db2.gz XVCITIBVXGKTAQ-WOPDTQHZSA-N 2 1 226.364 1.125 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC(C)(C)C1 ZINC001246304068 987700247 /nfs/dbraw/zinc/70/02/47/987700247.db2.gz GSBYPXQEGNUHOA-FVCCEPFGSA-N 2 1 240.391 1.371 20 0 BDADMP CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246303522 987701064 /nfs/dbraw/zinc/70/10/64/987701064.db2.gz GUNROJPVFKLQKU-WOPDTQHZSA-N 2 1 240.347 1.060 20 0 BDADMP CC[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246305463 987705022 /nfs/dbraw/zinc/70/50/22/987705022.db2.gz HTWFBQDNZXUBAW-RWMBFGLXSA-N 3 1 241.423 1.870 20 0 BDADMP C[C@H]1[C@@H]2CC[N@H+]1C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246304774 987705176 /nfs/dbraw/zinc/70/51/76/987705176.db2.gz LNFZQOLMOKNNOB-BJJPWKGXSA-N 2 1 237.391 1.199 20 0 BDADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246319283 987723110 /nfs/dbraw/zinc/72/31/10/987723110.db2.gz UTKRTARNYLENGW-LSDHHAIUSA-N 2 1 247.386 1.588 20 0 BDADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001246319283 987723116 /nfs/dbraw/zinc/72/31/16/987723116.db2.gz UTKRTARNYLENGW-LSDHHAIUSA-N 2 1 247.386 1.588 20 0 BDADMP CC[C@H](C[NH3+])[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246319237 987724868 /nfs/dbraw/zinc/72/48/68/987724868.db2.gz UBHFNLZWDGWWEZ-IYXRBSQSSA-N 3 1 239.407 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COCc3ccccc32)CC[NH2+]1 ZINC001246321497 987728247 /nfs/dbraw/zinc/72/82/47/987728247.db2.gz WQMGBSZKMULMCH-ZLDLUXBVSA-N 2 1 246.354 1.988 20 0 BDADMP CC(C)[C@H](N)C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246330118 987733577 /nfs/dbraw/zinc/73/35/77/987733577.db2.gz ALMQPFCHMPJIBX-ROKHWSDSSA-N 2 1 239.407 1.482 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[C@H](C)NC1 ZINC001246330733 987735270 /nfs/dbraw/zinc/73/52/70/987735270.db2.gz SYVTUYMSFGYBML-GXSJLCMTSA-N 2 1 212.337 1.474 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC001246331793 987738080 /nfs/dbraw/zinc/73/80/80/987738080.db2.gz JNTFFYCTQQXZDO-RGDJUOJXSA-N 3 1 237.391 1.390 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(N)c2)C[NH2+]1 ZINC001246346442 987756191 /nfs/dbraw/zinc/75/61/91/987756191.db2.gz FEADBFSJVKVUCP-SMDDNHRTSA-N 2 1 233.359 1.541 20 0 BDADMP C[C@@H]1CC[C@@H](N[C@H]2CC[N@H+](C3CCC3)C2)C[NH2+]1 ZINC001246359451 987766625 /nfs/dbraw/zinc/76/66/25/987766625.db2.gz BPNIRWHXPYTQOT-UPJWGTAASA-N 2 1 237.391 1.343 20 0 BDADMP CC(C)(C)C[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001246359896 987767801 /nfs/dbraw/zinc/76/78/01/987767801.db2.gz DKIDIXBXQUBQEV-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)C[NH2+]1 ZINC001246366483 987771276 /nfs/dbraw/zinc/77/12/76/987771276.db2.gz JMBXTSXPNYXUMW-XUXIUFHCSA-N 3 1 239.407 1.589 20 0 BDADMP C[NH2+]CC[C@@H](C)[NH2+]C1(CC2CC2)CC[NH2+]CC1 ZINC001246388674 987780334 /nfs/dbraw/zinc/78/03/34/987780334.db2.gz MPKWJXIZBQXWHO-GFCCVEGCSA-N 3 1 239.407 1.496 20 0 BDADMP CC(C)(C[NH2+][C@H]1CCC[NH2+]C1)Cc1ccncc1 ZINC001246400551 987782830 /nfs/dbraw/zinc/78/28/30/987782830.db2.gz OSMUJJIHGITTKR-AWEZNQCLSA-N 2 1 247.386 1.992 20 0 BDADMP CCC1(C[NH2+][C@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246421828 987793739 /nfs/dbraw/zinc/79/37/39/987793739.db2.gz IRHHVNUXSIGLPS-ZDUSSCGKSA-N 2 1 239.407 1.498 20 0 BDADMP Cc1cccc([C@@H](CO)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246444535 987802900 /nfs/dbraw/zinc/80/29/00/987802900.db2.gz CIVRXPMZCBVINS-VHDGCEQUSA-N 2 1 248.370 1.759 20 0 BDADMP C[C@@H](Cc1ccco1)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246454327 987809890 /nfs/dbraw/zinc/80/98/90/987809890.db2.gz RSFUGZLBFPHPDB-LBPRGKRZSA-N 3 1 239.363 1.129 20 0 BDADMP C[C@@H](CC1CC1)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246455945 987814317 /nfs/dbraw/zinc/81/43/17/987814317.db2.gz YOIVMZOVDBSPCW-NSHDSACASA-N 3 1 213.369 1.093 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)C[NH2+]1 ZINC001246460960 987818768 /nfs/dbraw/zinc/81/87/68/987818768.db2.gz LXBKFPFHSAKFKM-FDYHWXHSSA-N 2 1 226.364 1.268 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246475462 987831915 /nfs/dbraw/zinc/83/19/15/987831915.db2.gz GGYGYMUAZXKURQ-AVGNSLFASA-N 3 1 243.370 1.008 20 0 BDADMP CN1CCC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246475462 987831917 /nfs/dbraw/zinc/83/19/17/987831917.db2.gz GGYGYMUAZXKURQ-AVGNSLFASA-N 2 1 243.370 1.008 20 0 BDADMP COc1cnccc1CC[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC001246477919 987835077 /nfs/dbraw/zinc/83/50/77/987835077.db2.gz RHVHLAAFUZRJSL-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP COc1cnccc1CC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246477919 987835078 /nfs/dbraw/zinc/83/50/78/987835078.db2.gz RHVHLAAFUZRJSL-DGCLKSJQSA-N 2 1 249.358 1.363 20 0 BDADMP COc1cnccc1CC[NH2+][C@H]1CC[C@H](C)NC1 ZINC001246477917 987835827 /nfs/dbraw/zinc/83/58/27/987835827.db2.gz RHVHLAAFUZRJSL-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP COc1cnccc1CC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246477917 987835833 /nfs/dbraw/zinc/83/58/33/987835833.db2.gz RHVHLAAFUZRJSL-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP CCCC1CCC([NH2+]C[C@@H]2C[NH2+]CCN2)CC1 ZINC001246488266 987843246 /nfs/dbraw/zinc/84/32/46/987843246.db2.gz JIQHVVKLPCKQBX-RUXDESIVSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(C[NH3+])cc2)CN1 ZINC001246487009 987844350 /nfs/dbraw/zinc/84/43/50/987844350.db2.gz YWPLLVZMVIUECX-IUODEOHRSA-N 2 1 247.386 1.418 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC001246487009 987844353 /nfs/dbraw/zinc/84/43/53/987844353.db2.gz YWPLLVZMVIUECX-IUODEOHRSA-N 3 1 247.386 1.418 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246492400 987847877 /nfs/dbraw/zinc/84/78/77/987847877.db2.gz WYRNTTCXVXCKJR-NWDGAFQWSA-N 2 1 213.369 1.106 20 0 BDADMP [NH3+]CCC[C@H]1CCCC[N@@H+]([C@H]2CCCNC2)C1 ZINC001246495053 987851628 /nfs/dbraw/zinc/85/16/28/987851628.db2.gz FBQSUIMQEBCPCO-KGLIPLIRSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CCCNC2)C1 ZINC001246495053 987851633 /nfs/dbraw/zinc/85/16/33/987851633.db2.gz FBQSUIMQEBCPCO-KGLIPLIRSA-N 2 1 239.407 1.579 20 0 BDADMP Cc1ccc([C@@H](CO)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246500094 987853688 /nfs/dbraw/zinc/85/36/88/987853688.db2.gz OKTMOBFGDMNSOX-NWANDNLSSA-N 2 1 248.370 1.759 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246514259 987866739 /nfs/dbraw/zinc/86/67/39/987866739.db2.gz IMCYTYQNENJOIG-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP C1C[NH2+]C[C@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246524433 987875253 /nfs/dbraw/zinc/87/52/53/987875253.db2.gz QKGONAWKTKSURL-CYBMUJFWSA-N 3 1 237.391 1.204 20 0 BDADMP C1C[NH2+]C[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001246524433 987875256 /nfs/dbraw/zinc/87/52/56/987875256.db2.gz QKGONAWKTKSURL-CYBMUJFWSA-N 3 1 237.391 1.204 20 0 BDADMP C1C[NH2+]C[C@@H]([N@@H+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001246524527 987875423 /nfs/dbraw/zinc/87/54/23/987875423.db2.gz GIEPHFQGXATFSD-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP C1C[NH2+]C[C@@H]([N@H+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001246524527 987875427 /nfs/dbraw/zinc/87/54/27/987875427.db2.gz GIEPHFQGXATFSD-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP C1CO[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246526248 987880156 /nfs/dbraw/zinc/88/01/56/987880156.db2.gz OQSRLTPNHLAJJK-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP C1CO[C@H]2CC[N@H+](C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246526248 987880160 /nfs/dbraw/zinc/88/01/60/987880160.db2.gz OQSRLTPNHLAJJK-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([N@H+]1CCCNCC1)C2 ZINC001246525887 987880430 /nfs/dbraw/zinc/88/04/30/987880430.db2.gz SYYQZIDFKVMNAX-KBPBESRZSA-N 2 1 237.391 1.204 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@H](N1CCC[NH2+]CC1)C2 ZINC001246525887 987880440 /nfs/dbraw/zinc/88/04/40/987880440.db2.gz SYYQZIDFKVMNAX-KBPBESRZSA-N 2 1 237.391 1.204 20 0 BDADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246528907 987881066 /nfs/dbraw/zinc/88/10/66/987881066.db2.gz IUEVLJSWFNKPMZ-YPMHNXCESA-N 2 1 241.379 1.057 20 0 BDADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246528907 987881068 /nfs/dbraw/zinc/88/10/68/987881068.db2.gz IUEVLJSWFNKPMZ-YPMHNXCESA-N 2 1 241.379 1.057 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246530606 987885521 /nfs/dbraw/zinc/88/55/21/987885521.db2.gz NERGKGVIUXQZEB-RDBSUJKOSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246530606 987885522 /nfs/dbraw/zinc/88/55/22/987885522.db2.gz NERGKGVIUXQZEB-RDBSUJKOSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246530606 987885526 /nfs/dbraw/zinc/88/55/26/987885526.db2.gz NERGKGVIUXQZEB-RDBSUJKOSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246530593 987887914 /nfs/dbraw/zinc/88/79/14/987887914.db2.gz NERGKGVIUXQZEB-HZSPNIEDSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246530593 987887923 /nfs/dbraw/zinc/88/79/23/987887923.db2.gz NERGKGVIUXQZEB-HZSPNIEDSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@]1(N)CC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246530593 987887924 /nfs/dbraw/zinc/88/79/24/987887924.db2.gz NERGKGVIUXQZEB-HZSPNIEDSA-N 2 1 237.391 1.332 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@](C)([NH3+])C1)C2 ZINC001246531697 987889209 /nfs/dbraw/zinc/88/92/09/987889209.db2.gz SHDATTLVWABENG-RNJOBUHISA-N 2 1 223.364 1.035 20 0 BDADMP C[N@@H+](C1CCCCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246534817 987893768 /nfs/dbraw/zinc/89/37/68/987893768.db2.gz ZAYRJZOBJMFABG-CYBMUJFWSA-N 2 1 237.391 1.345 20 0 BDADMP F[C@H]1CC[N@H+](C2CC[NH2+]CC2)CCC1(F)F ZINC001246535973 987894141 /nfs/dbraw/zinc/89/41/41/987894141.db2.gz BUSSWVYBYZBQEC-JTQLQIEISA-N 2 1 236.281 1.808 20 0 BDADMP C[C@@H](Cc1ccccn1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540873 987901871 /nfs/dbraw/zinc/90/18/71/987901871.db2.gz KJESAIVFZPTHKE-RWMBFGLXSA-N 2 1 233.359 1.539 20 0 BDADMP CCC(CC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542186 987909234 /nfs/dbraw/zinc/90/92/34/987909234.db2.gz JMYCJQDHMSOQGH-LBPRGKRZSA-N 2 1 214.353 1.351 20 0 BDADMP CC(C)[C@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542557 987911728 /nfs/dbraw/zinc/91/17/28/987911728.db2.gz QKRPSKKHOHWWTG-REWJHTLYSA-N 3 1 239.407 1.290 20 0 BDADMP CC(C)[C@H]1C[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246542557 987911738 /nfs/dbraw/zinc/91/17/38/987911738.db2.gz QKRPSKKHOHWWTG-REWJHTLYSA-N 3 1 239.407 1.290 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246541077 987913471 /nfs/dbraw/zinc/91/34/71/987913471.db2.gz LMYQWBAKRUCXRZ-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP CC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545605 987915902 /nfs/dbraw/zinc/91/59/02/987915902.db2.gz BWALIAQWCDLAIY-MNOVXSKESA-N 2 1 202.317 1.938 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544881 987920317 /nfs/dbraw/zinc/92/03/17/987920317.db2.gz HUOAGUZGCKBSCZ-MNOVXSKESA-N 2 1 216.394 1.941 20 0 BDADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246544395 987920456 /nfs/dbraw/zinc/92/04/56/987920456.db2.gz VMEICCYCCBWAAZ-MCIONIFRSA-N 2 1 242.407 1.985 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246544395 987920467 /nfs/dbraw/zinc/92/04/67/987920467.db2.gz VMEICCYCCBWAAZ-MCIONIFRSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@@H]1CC([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001246546473 987930864 /nfs/dbraw/zinc/93/08/64/987930864.db2.gz NAMDGSLLRGTCSN-IJLUTSLNSA-N 2 1 226.364 1.756 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCOC3)CC2)CC[NH2+]1 ZINC001246551444 987945610 /nfs/dbraw/zinc/94/56/10/987945610.db2.gz ZKBPGWMPRBDXFQ-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552798 987949490 /nfs/dbraw/zinc/94/94/90/987949490.db2.gz ZPJDVTAWSIPIOM-IJLUTSLNSA-N 2 1 242.363 1.530 20 0 BDADMP CCOC(=O)CCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552798 987949498 /nfs/dbraw/zinc/94/94/98/987949498.db2.gz ZPJDVTAWSIPIOM-IJLUTSLNSA-N 2 1 242.363 1.530 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2COC(C)(C)C2)CC[C@H]1C[NH3+] ZINC001246554911 987958784 /nfs/dbraw/zinc/95/87/84/987958784.db2.gz CZQPCHQYXUMOJB-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CO1 ZINC001246554205 987959016 /nfs/dbraw/zinc/95/90/16/987959016.db2.gz DBWONBPSWMVKNQ-NXEZZACHSA-N 2 1 248.317 1.470 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CO1 ZINC001246554205 987959024 /nfs/dbraw/zinc/95/90/24/987959024.db2.gz DBWONBPSWMVKNQ-NXEZZACHSA-N 2 1 248.317 1.470 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC001246553968 987959883 /nfs/dbraw/zinc/95/98/83/987959883.db2.gz ALZIPVXPWIIPRF-RYUDHWBXSA-N 3 1 225.380 1.045 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246554341 987962298 /nfs/dbraw/zinc/96/22/98/987962298.db2.gz ZSUGJWIEHREVLM-XJFOESAGSA-N 3 1 239.407 1.447 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC001246554341 987962313 /nfs/dbraw/zinc/96/23/13/987962313.db2.gz ZSUGJWIEHREVLM-XJFOESAGSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246555310 987963069 /nfs/dbraw/zinc/96/30/69/987963069.db2.gz FYFBGILICQJUOG-NNYUYHANSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246555310 987963072 /nfs/dbraw/zinc/96/30/72/987963072.db2.gz FYFBGILICQJUOG-NNYUYHANSA-N 2 1 226.364 1.205 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2)CC[C@H]1C[NH3+] ZINC001246555711 987965472 /nfs/dbraw/zinc/96/54/72/987965472.db2.gz FUARHRIWEPLCCR-HZSPNIEDSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CCO1 ZINC001246556047 987969076 /nfs/dbraw/zinc/96/90/76/987969076.db2.gz YHAAQZJQOSPJCF-RWMBFGLXSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246556011 987969718 /nfs/dbraw/zinc/96/97/18/987969718.db2.gz YDRMPDZHZMXFQI-STQMWFEESA-N 3 1 237.391 1.332 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556092 987970837 /nfs/dbraw/zinc/97/08/37/987970837.db2.gz YKIHAHFHOBAKJM-AGIUHOORSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556092 987970850 /nfs/dbraw/zinc/97/08/50/987970850.db2.gz YKIHAHFHOBAKJM-AGIUHOORSA-N 3 1 225.380 1.330 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557838 987973669 /nfs/dbraw/zinc/97/36/69/987973669.db2.gz IWPARWSYGYTLTE-IJLUTSLNSA-N 2 1 214.353 1.205 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246560273 987982204 /nfs/dbraw/zinc/98/22/04/987982204.db2.gz QFCNVQKIQCYVOG-STQMWFEESA-N 2 1 243.370 1.234 20 0 BDADMP CC[N@@H+]1CC[C@H](N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246560273 987982212 /nfs/dbraw/zinc/98/22/12/987982212.db2.gz QFCNVQKIQCYVOG-STQMWFEESA-N 2 1 243.370 1.234 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246560273 987982222 /nfs/dbraw/zinc/98/22/22/987982222.db2.gz QFCNVQKIQCYVOG-STQMWFEESA-N 2 1 243.370 1.234 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc2c(C)cccn12 ZINC001118019058 987988744 /nfs/dbraw/zinc/98/87/44/987988744.db2.gz MIPSFGXXRAFDHN-LBPRGKRZSA-N 2 1 246.358 1.730 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246564361 988021524 /nfs/dbraw/zinc/02/15/24/988021524.db2.gz NBMJRJWIRBNIRX-MROQNXINSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CC[NH2+]1 ZINC001246564361 988021540 /nfs/dbraw/zinc/02/15/40/988021540.db2.gz NBMJRJWIRBNIRX-MROQNXINSA-N 3 1 225.380 1.186 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567780 988022594 /nfs/dbraw/zinc/02/25/94/988022594.db2.gz MSVBPLAEEOJLNN-MGPQQGTHSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)C[NH2+]1 ZINC001246567826 988033761 /nfs/dbraw/zinc/03/37/61/988033761.db2.gz XULXIWZQVSFOIM-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)C[NH2+]1 ZINC001246567826 988033777 /nfs/dbraw/zinc/03/37/77/988033777.db2.gz XULXIWZQVSFOIM-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569499 988042123 /nfs/dbraw/zinc/04/21/23/988042123.db2.gz VHDNJFSJFMOHIO-HZSPNIEDSA-N 2 1 241.423 1.776 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246569499 988042142 /nfs/dbraw/zinc/04/21/42/988042142.db2.gz VHDNJFSJFMOHIO-HZSPNIEDSA-N 2 1 241.423 1.776 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246569499 988042157 /nfs/dbraw/zinc/04/21/57/988042157.db2.gz VHDNJFSJFMOHIO-HZSPNIEDSA-N 2 1 241.423 1.776 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569499 988042175 /nfs/dbraw/zinc/04/21/75/988042175.db2.gz VHDNJFSJFMOHIO-HZSPNIEDSA-N 2 1 241.423 1.776 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+]([C@H]2CCCNC2)CC1 ZINC001246574051 988067307 /nfs/dbraw/zinc/06/73/07/988067307.db2.gz IBHNRBOYZOBWCD-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCCNC2)CC1 ZINC001246574051 988067323 /nfs/dbraw/zinc/06/73/23/988067323.db2.gz IBHNRBOYZOBWCD-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CO1 ZINC001246574142 988068848 /nfs/dbraw/zinc/06/88/48/988068848.db2.gz DHGFDBXYNUGPNC-YPMHNXCESA-N 2 1 244.354 1.707 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CO1 ZINC001246574142 988068866 /nfs/dbraw/zinc/06/88/66/988068866.db2.gz DHGFDBXYNUGPNC-YPMHNXCESA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)[C@H](C)[NH3+] ZINC001118171858 988071791 /nfs/dbraw/zinc/07/17/91/988071791.db2.gz HWIMVPRTVXVZIJ-YWVKMMECSA-N 2 1 246.314 1.568 20 0 BDADMP CC(C)CC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578058 988091879 /nfs/dbraw/zinc/09/18/79/988091879.db2.gz FKQJAIQZGRHFLS-SRVKXCTJSA-N 2 1 214.353 1.063 20 0 BDADMP CCCCC(CCCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578303 988095230 /nfs/dbraw/zinc/09/52/30/988095230.db2.gz APUWKOWNOCRUBI-JSGCOSHPSA-N 2 1 242.407 1.987 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCC[NH2+]CC2)CC1 ZINC001246581076 988108430 /nfs/dbraw/zinc/10/84/30/988108430.db2.gz XQYLRRORUJOBMW-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@H]1CC[C@H]([NH+]2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246581573 988109026 /nfs/dbraw/zinc/10/90/26/988109026.db2.gz RTIZGAVJSPUBTP-AAEUAGOBSA-N 3 1 225.380 1.188 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246583094 988122296 /nfs/dbraw/zinc/12/22/96/988122296.db2.gz UCIILGXBLAPMDP-WDEREUQCSA-N 2 1 218.316 1.174 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582929 988127357 /nfs/dbraw/zinc/12/73/57/988127357.db2.gz PEWYGZUSMMTXEM-FVCCEPFGSA-N 2 1 208.349 1.846 20 0 BDADMP CN1CCC([N@@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246585030 988135150 /nfs/dbraw/zinc/13/51/50/988135150.db2.gz NWEPZCGIHMTECR-CQSZACIVSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246585030 988135163 /nfs/dbraw/zinc/13/51/63/988135163.db2.gz NWEPZCGIHMTECR-CQSZACIVSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC([N@@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246585028 988138354 /nfs/dbraw/zinc/13/83/54/988138354.db2.gz NWEPZCGIHMTECR-AWEZNQCLSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246585028 988138363 /nfs/dbraw/zinc/13/83/63/988138363.db2.gz NWEPZCGIHMTECR-AWEZNQCLSA-N 2 1 239.407 1.532 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586173 988139798 /nfs/dbraw/zinc/13/97/98/988139798.db2.gz RGSBJDUSWQZTGG-XQHKEYJVSA-N 2 1 240.391 1.453 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246584832 988140021 /nfs/dbraw/zinc/14/00/21/988140021.db2.gz VCUODXSLCNZMKR-ICIURTGMSA-N 3 1 235.375 1.106 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246584832 988140030 /nfs/dbraw/zinc/14/00/30/988140030.db2.gz VCUODXSLCNZMKR-ICIURTGMSA-N 3 1 235.375 1.106 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246589013 988156845 /nfs/dbraw/zinc/15/68/45/988156845.db2.gz QUJQVLMMIPILMO-WISYIIOYSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246589013 988156870 /nfs/dbraw/zinc/15/68/70/988156870.db2.gz QUJQVLMMIPILMO-WISYIIOYSA-N 2 1 230.327 1.315 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([NH+]1CC(C)(C[NH3+])C1)C2 ZINC001246593076 988175504 /nfs/dbraw/zinc/17/55/04/988175504.db2.gz DULGKEXJQNQXDR-ZDUSSCGKSA-N 2 1 246.354 1.443 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246593303 988181415 /nfs/dbraw/zinc/18/14/15/988181415.db2.gz RZEMEXWOQOHHFO-LPWJVIDDSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246593303 988181426 /nfs/dbraw/zinc/18/14/26/988181426.db2.gz RZEMEXWOQOHHFO-LPWJVIDDSA-N 3 1 225.380 1.186 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246594386 988185463 /nfs/dbraw/zinc/18/54/63/988185463.db2.gz QIULNFJFAMKGCA-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@@H]1CCCCN([C@H]2CCC[NH2+]CC2)C1 ZINC001246594386 988185483 /nfs/dbraw/zinc/18/54/83/988185483.db2.gz QIULNFJFAMKGCA-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246595250 988186662 /nfs/dbraw/zinc/18/66/62/988186662.db2.gz SJROPDBXVPVFRE-HSBZDZAISA-N 3 1 239.407 1.578 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001246593744 988190122 /nfs/dbraw/zinc/19/01/22/988190122.db2.gz NTHQSXJJANKBBB-FQUUOJAGSA-N 3 1 237.391 1.045 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246596010 988193367 /nfs/dbraw/zinc/19/33/67/988193367.db2.gz YLSDRZYRMKRQFH-GRYCIOLGSA-N 2 1 244.354 1.705 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246596010 988193388 /nfs/dbraw/zinc/19/33/88/988193388.db2.gz YLSDRZYRMKRQFH-GRYCIOLGSA-N 2 1 244.354 1.705 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCO1 ZINC001246596013 988195482 /nfs/dbraw/zinc/19/54/82/988195482.db2.gz YLSDRZYRMKRQFH-IJLUTSLNSA-N 2 1 244.354 1.705 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCO1 ZINC001246596013 988195502 /nfs/dbraw/zinc/19/55/02/988195502.db2.gz YLSDRZYRMKRQFH-IJLUTSLNSA-N 2 1 244.354 1.705 20 0 BDADMP C1CC12CNCC[N@H+]2[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246621302 988273039 /nfs/dbraw/zinc/27/30/39/988273039.db2.gz CIUNJOBBHTTWQZ-ZIAGYGMSSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC12C[NH2+]CCN2[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246621302 988273060 /nfs/dbraw/zinc/27/30/60/988273060.db2.gz CIUNJOBBHTTWQZ-ZIAGYGMSSA-N 2 1 249.402 1.347 20 0 BDADMP C1CC2(CCCC2)[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246623975 988278821 /nfs/dbraw/zinc/27/88/21/988278821.db2.gz NFAIJZLOBLRIJZ-LBPRGKRZSA-N 2 1 235.375 1.099 20 0 BDADMP O=C1C[C@H]2CC([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@@H]2C1 ZINC001246635275 988325197 /nfs/dbraw/zinc/32/51/97/988325197.db2.gz JZEZHNABPFZTOE-DMTCVQMQSA-N 2 1 234.343 1.180 20 0 BDADMP O=C1C[C@H]2CC([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@@H]2C1 ZINC001246635275 988325213 /nfs/dbraw/zinc/32/52/13/988325213.db2.gz JZEZHNABPFZTOE-DMTCVQMQSA-N 2 1 234.343 1.180 20 0 BDADMP C[C@H]1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639034 988335834 /nfs/dbraw/zinc/33/58/34/988335834.db2.gz MXVUVTOTOOKDLZ-QWHCGFSZSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@H]1CC[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246639034 988335848 /nfs/dbraw/zinc/33/58/48/988335848.db2.gz MXVUVTOTOOKDLZ-QWHCGFSZSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246641948 988349099 /nfs/dbraw/zinc/34/90/99/988349099.db2.gz ALKNEEBHRNCOHC-CHWSQXEVSA-N 3 1 237.391 1.345 20 0 BDADMP C[C@@H]1C[C@H](N2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246641948 988349116 /nfs/dbraw/zinc/34/91/16/988349116.db2.gz ALKNEEBHRNCOHC-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3CCCO[C@H]3C2)CC[NH2+]1 ZINC001246646763 988361021 /nfs/dbraw/zinc/36/10/21/988361021.db2.gz HWWDQJPFDIZDQZ-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C1C[NH2+]C[C@H]([NH+]2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246645812 988362346 /nfs/dbraw/zinc/36/23/46/988362346.db2.gz VRCMPFSKHOLBKA-CYBMUJFWSA-N 3 1 237.391 1.204 20 0 BDADMP C1C[C@@]2(CO1)CCC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246648202 988370448 /nfs/dbraw/zinc/37/04/48/988370448.db2.gz PDZOITXIBOTHOD-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@@]2(CO1)CCC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246648202 988370461 /nfs/dbraw/zinc/37/04/61/988370461.db2.gz PDZOITXIBOTHOD-STQMWFEESA-N 2 1 224.348 1.241 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246661517 988398465 /nfs/dbraw/zinc/39/84/65/988398465.db2.gz YBSKBUWEFQOCLM-QYVRYILPSA-N 3 1 237.391 1.185 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246679781 988432079 /nfs/dbraw/zinc/43/20/79/988432079.db2.gz XTCWBWNPDYXGQW-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246679781 988432085 /nfs/dbraw/zinc/43/20/85/988432085.db2.gz XTCWBWNPDYXGQW-DGCLKSJQSA-N 2 1 225.380 1.058 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246809273 988492194 /nfs/dbraw/zinc/49/21/94/988492194.db2.gz GOJVKGRLWMSUGW-GFCCVEGCSA-N 2 1 226.364 1.628 20 0 BDADMP COC(=O)CC[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246834161 988531993 /nfs/dbraw/zinc/53/19/93/988531993.db2.gz MQKCBDGNMUIOHC-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)[C@H]1C[C@H]([N@@H+]2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835045 988534666 /nfs/dbraw/zinc/53/46/66/988534666.db2.gz YGJYQMFQOZOORG-BFHYXJOUSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]1C[C@H]([N@H+]2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835045 988534674 /nfs/dbraw/zinc/53/46/74/988534674.db2.gz YGJYQMFQOZOORG-BFHYXJOUSA-N 3 1 239.407 1.576 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246838392 988536952 /nfs/dbraw/zinc/53/69/52/988536952.db2.gz HGGLFAHUGXJBTA-GRYCIOLGSA-N 2 1 240.347 1.154 20 0 BDADMP C[C@H]1C[C@@H](N2CCC[N@H+]3CCC[C@H]3C2)CC[NH2+]1 ZINC001246846419 988559573 /nfs/dbraw/zinc/55/95/73/988559573.db2.gz HFJODXIOFRRLJS-IHRRRGAJSA-N 2 1 237.391 1.297 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246850914 988562128 /nfs/dbraw/zinc/56/21/28/988562128.db2.gz KCHXQFSJADVJCY-RTXFEEFZSA-N 2 1 224.348 1.428 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)C[C@@H]21 ZINC001246851801 988572905 /nfs/dbraw/zinc/57/29/05/988572905.db2.gz HPWQBYIUZYMOPW-GCQYFTOKSA-N 2 1 220.360 1.844 20 0 BDADMP CC[C@H]1COCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246851635 988573521 /nfs/dbraw/zinc/57/35/21/988573521.db2.gz ZCVIBIXAUMWSBN-WOPDTQHZSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@H]1COCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246851635 988573534 /nfs/dbraw/zinc/57/35/34/988573534.db2.gz ZCVIBIXAUMWSBN-WOPDTQHZSA-N 2 1 212.337 1.238 20 0 BDADMP c1cc(O[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)ccn1 ZINC001246859500 988584408 /nfs/dbraw/zinc/58/44/08/988584408.db2.gz FQXOKMFLDDJCQJ-AWEZNQCLSA-N 2 1 247.342 1.287 20 0 BDADMP c1cc(O[C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)ccn1 ZINC001246859500 988584417 /nfs/dbraw/zinc/58/44/17/988584417.db2.gz FQXOKMFLDDJCQJ-AWEZNQCLSA-N 2 1 247.342 1.287 20 0 BDADMP C[C@H]1CCC[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246859917 988595604 /nfs/dbraw/zinc/59/56/04/988595604.db2.gz MPAYCNIFCHUQNT-UKIXVXPJSA-N 2 1 238.375 1.471 20 0 BDADMP COC(=O)C[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246862645 988596747 /nfs/dbraw/zinc/59/67/47/988596747.db2.gz MFBNYPBUPLXRLU-NSHDSACASA-N 2 1 240.347 1.014 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCc3cc(N)ccc3C2)CC[NH2+]1 ZINC001246884383 988649992 /nfs/dbraw/zinc/64/99/92/988649992.db2.gz SRXDHCWAOWKCSZ-NHYWBVRUSA-N 2 1 245.370 1.767 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246887311 988652809 /nfs/dbraw/zinc/65/28/09/988652809.db2.gz LJVJYMMMKJAFPV-QWHCGFSZSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246908123 988688641 /nfs/dbraw/zinc/68/86/41/988688641.db2.gz FSWUGDJQRXPPTM-RDBSUJKOSA-N 2 1 239.407 1.541 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)[C@]2(C)CCCNC2)CC1 ZINC001246913525 988697011 /nfs/dbraw/zinc/69/70/11/988697011.db2.gz QVYDDMLTDMWIOZ-JXQTWKCFSA-N 2 1 239.407 1.591 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)[C@]2(C)CCCNC2)CC1 ZINC001246913525 988697022 /nfs/dbraw/zinc/69/70/22/988697022.db2.gz QVYDDMLTDMWIOZ-JXQTWKCFSA-N 2 1 239.407 1.591 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001246914506 988706002 /nfs/dbraw/zinc/70/60/02/988706002.db2.gz CQRCCLGPWVZOKZ-HIFPTAJRSA-N 3 1 227.396 1.447 20 0 BDADMP c1ccc2c(c1)CCC([N@@H+]1C[C@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246922702 988737142 /nfs/dbraw/zinc/73/71/42/988737142.db2.gz WMYBHRZRIXDKQB-ZBFHGGJFSA-N 2 1 242.366 1.838 20 0 BDADMP c1ccc2c(c1)CCC([N@H+]1C[C@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246922702 988737158 /nfs/dbraw/zinc/73/71/58/988737158.db2.gz WMYBHRZRIXDKQB-ZBFHGGJFSA-N 2 1 242.366 1.838 20 0 BDADMP C1CC12CCC([N@@H+]1C[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246922705 988738980 /nfs/dbraw/zinc/73/89/80/988738980.db2.gz WPGATKCQSRVMRF-JQWIXIFHSA-N 2 1 206.333 1.613 20 0 BDADMP C1CC12CCC([N@H+]1C[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246922705 988738989 /nfs/dbraw/zinc/73/89/89/988738989.db2.gz WPGATKCQSRVMRF-JQWIXIFHSA-N 2 1 206.333 1.613 20 0 BDADMP CC(C)[N@@H+](CCCCCO)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246925066 988753998 /nfs/dbraw/zinc/75/39/98/988753998.db2.gz KULQREPLQKLFCQ-KGLIPLIRSA-N 2 1 242.407 2.000 20 0 BDADMP C1[NH2+]CC12CC[C@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246930998 988757886 /nfs/dbraw/zinc/75/78/86/988757886.db2.gz LRLQAWFRHWDLCD-MJBXVCDLSA-N 3 1 249.402 1.060 20 0 BDADMP C[C@@H]1C[C@@H]([NH+]2CC3(CSC3)C2)CC[NH2+]1 ZINC001246950831 988787540 /nfs/dbraw/zinc/78/75/40/988787540.db2.gz XXQIBINEBFFOJV-ZJUUUORDSA-N 2 1 212.362 1.176 20 0 BDADMP COC(=O)C[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246970261 988800961 /nfs/dbraw/zinc/80/09/61/988800961.db2.gz YTECPAIIXWQLPB-UTUOFQBUSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H](N)C[N@@H+](C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246980807 988810918 /nfs/dbraw/zinc/81/09/18/988810918.db2.gz LEMPATRSEYVZHZ-HSBZDZAISA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])CN(C)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246980807 988810919 /nfs/dbraw/zinc/81/09/19/988810919.db2.gz LEMPATRSEYVZHZ-HSBZDZAISA-N 2 1 239.407 1.578 20 0 BDADMP [NH3+][C@H]1C[N@@H+](C2CCCCCCC2)CC12COC2 ZINC001246985545 988816828 /nfs/dbraw/zinc/81/68/28/988816828.db2.gz BHUIRPCOJFOKMH-ZDUSSCGKSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+][C@H]1C[N@H+](C2CCCCCCC2)CC12COC2 ZINC001246985545 988816830 /nfs/dbraw/zinc/81/68/30/988816830.db2.gz BHUIRPCOJFOKMH-ZDUSSCGKSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)C[NH2+]1 ZINC001247000604 988831371 /nfs/dbraw/zinc/83/13/71/988831371.db2.gz FISMBYUVWVUDRV-NDBYEHHHSA-N 2 1 236.359 1.428 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)C[NH2+]1 ZINC001247000602 988832838 /nfs/dbraw/zinc/83/28/38/988832838.db2.gz FISMBYUVWVUDRV-FVCCEPFGSA-N 2 1 236.359 1.428 20 0 BDADMP O=C1CCC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]12 ZINC001247006157 988835548 /nfs/dbraw/zinc/83/55/48/988835548.db2.gz TWAVRUQGQFBBSE-BEUHCMRWSA-N 2 1 248.370 1.570 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C2CCC1(CO)CC2 ZINC000722979748 988854566 /nfs/dbraw/zinc/85/45/66/988854566.db2.gz PVKIDIJQBNILGV-UHFFFAOYSA-N 2 1 226.364 1.495 20 0 BDADMP Cc1cnccc1-c1noc([C@H]([NH3+])CCC[NH3+])n1 ZINC001247509539 988907128 /nfs/dbraw/zinc/90/71/28/988907128.db2.gz VYMRMRJMZQXLER-SNVBAGLBSA-N 2 1 247.302 1.179 20 0 BDADMP Cc1noc(C)c1CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001119544077 989147543 /nfs/dbraw/zinc/14/75/43/989147543.db2.gz CMLWJSDPPTUXEZ-VIFPVBQESA-N 2 1 247.289 1.406 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1sccc1OC ZINC001325627816 989218468 /nfs/dbraw/zinc/21/84/68/989218468.db2.gz WOLPDHULWICOBV-SECBINFHSA-N 2 1 228.361 1.844 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCCc2c1cnn2C ZINC001325720195 989239734 /nfs/dbraw/zinc/23/97/34/989239734.db2.gz DRYGTFGOISBWDF-JQWIXIFHSA-N 2 1 236.363 1.385 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1c[nH]nc1C ZINC001325743632 989241610 /nfs/dbraw/zinc/24/16/10/989241610.db2.gz QECFQTOGNGFXOF-DTWKUNHWSA-N 2 1 210.325 1.224 20 0 BDADMP C[C@H]1C[N@@H+](CCOCC2CC2)CC[C@@H]1C[NH3+] ZINC001119617605 989246646 /nfs/dbraw/zinc/24/66/46/989246646.db2.gz RQYCABCLNZTJKD-WCQYABFASA-N 2 1 226.364 1.330 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(=O)[nH]n1 ZINC001325887679 989298565 /nfs/dbraw/zinc/29/85/65/989298565.db2.gz IOJIYAFHHDOWJN-JTQLQIEISA-N 2 1 248.330 1.095 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\C1CC1 ZINC001119705795 989353999 /nfs/dbraw/zinc/35/39/99/989353999.db2.gz ZDQLTUUXPJQURK-WPORHVLPSA-N 2 1 220.360 1.882 20 0 BDADMP [NH3+]CCCc1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001326204846 989424684 /nfs/dbraw/zinc/42/46/84/989424684.db2.gz XLWLCXYKBLRZOV-LLVKDONJSA-N 2 1 232.287 1.009 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC001120343465 989634723 /nfs/dbraw/zinc/63/47/23/989634723.db2.gz HNJYTQDYJWZHBC-NSHDSACASA-N 2 1 237.347 1.851 20 0 BDADMP Nc1cc(NC2CC[NH+](C3CCC3)CC2)nc[nH+]1 ZINC001120855335 989924666 /nfs/dbraw/zinc/92/46/66/989924666.db2.gz FEJHGSJMTHCPLB-UHFFFAOYSA-N 2 1 247.346 1.488 20 0 BDADMP CC(C)[NH2+][C@@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC001120892371 989949298 /nfs/dbraw/zinc/94/92/98/989949298.db2.gz IAMMMLXXGJJVLA-SNVBAGLBSA-N 2 1 235.335 1.026 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(N)ncn1 ZINC001548510084 990765287 /nfs/dbraw/zinc/76/52/87/990765287.db2.gz ODSPOLZAKJBMHA-PHIMTYICSA-N 2 1 249.362 1.734 20 0 BDADMP CC(C)=CCC[C@H](C)[N@H+](CC[NH3+])CCO ZINC001258079369 990977892 /nfs/dbraw/zinc/97/78/92/990977892.db2.gz OPOGWQIAKYKUAR-LBPRGKRZSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)=CCC[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001258079369 990977904 /nfs/dbraw/zinc/97/79/04/990977904.db2.gz OPOGWQIAKYKUAR-LBPRGKRZSA-N 2 1 214.353 1.374 20 0 BDADMP CSCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001258211188 991128924 /nfs/dbraw/zinc/12/89/24/991128924.db2.gz GVAPSEIOSWSCRS-NSHDSACASA-N 2 1 234.409 1.032 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258321943 991248603 /nfs/dbraw/zinc/24/86/03/991248603.db2.gz UIBBNTHUZCSRSF-QWRGUYRKSA-N 2 1 246.420 1.566 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258321943 991248612 /nfs/dbraw/zinc/24/86/12/991248612.db2.gz UIBBNTHUZCSRSF-QWRGUYRKSA-N 2 1 246.420 1.566 20 0 BDADMP CCC1(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)COC1 ZINC001202937356 991251466 /nfs/dbraw/zinc/25/14/66/991251466.db2.gz YDVGBRBRNJQDQG-OLZOCXBDSA-N 2 1 238.375 1.297 20 0 BDADMP CCC1(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)COC1 ZINC001202937356 991251470 /nfs/dbraw/zinc/25/14/70/991251470.db2.gz YDVGBRBRNJQDQG-OLZOCXBDSA-N 2 1 238.375 1.297 20 0 BDADMP CCC1(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)COC1 ZINC001202937356 991251475 /nfs/dbraw/zinc/25/14/75/991251475.db2.gz YDVGBRBRNJQDQG-OLZOCXBDSA-N 2 1 238.375 1.297 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001258363285 991300495 /nfs/dbraw/zinc/30/04/95/991300495.db2.gz GASULRMQYAWXKX-WOPDTQHZSA-N 2 1 242.363 1.258 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001258363285 991300511 /nfs/dbraw/zinc/30/05/11/991300511.db2.gz GASULRMQYAWXKX-WOPDTQHZSA-N 2 1 242.363 1.258 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001258611678 991536358 /nfs/dbraw/zinc/53/63/58/991536358.db2.gz MTEVWCZHBGQPLJ-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001258611678 991536365 /nfs/dbraw/zinc/53/63/65/991536365.db2.gz MTEVWCZHBGQPLJ-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](CC[NH3+])CCO)CC(C)(C)C1 ZINC001258686310 991619103 /nfs/dbraw/zinc/61/91/03/991619103.db2.gz BMMVSFQKKZENTN-NWDGAFQWSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](CC[NH3+])CCO)CC(C)(C)C1 ZINC001258686310 991619108 /nfs/dbraw/zinc/61/91/08/991619108.db2.gz BMMVSFQKKZENTN-NWDGAFQWSA-N 2 1 228.380 1.454 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](O)[C@H](F)C2)CC1 ZINC001561043091 991702011 /nfs/dbraw/zinc/70/20/11/991702011.db2.gz PPCFZLOUWHARMU-OLZOCXBDSA-N 2 1 244.354 1.123 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC001561057882 991710743 /nfs/dbraw/zinc/71/07/43/991710743.db2.gz ZKVPHHQOFFNMHF-GFCCVEGCSA-N 2 1 248.374 1.355 20 0 BDADMP CC[N@H+](C)[C@@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC001561057882 991710753 /nfs/dbraw/zinc/71/07/53/991710753.db2.gz ZKVPHHQOFFNMHF-GFCCVEGCSA-N 2 1 248.374 1.355 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC001561057882 991710766 /nfs/dbraw/zinc/71/07/66/991710766.db2.gz ZKVPHHQOFFNMHF-GFCCVEGCSA-N 2 1 248.374 1.355 20 0 BDADMP CCC[NH+]1CCC([NH2+]CC2CC(=O)C2)CC1 ZINC001258765753 991724260 /nfs/dbraw/zinc/72/42/60/991724260.db2.gz BWJAEQHFZKBZGW-UHFFFAOYSA-N 2 1 224.348 1.430 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C[C@H]2C)CC1 ZINC001258775404 991739495 /nfs/dbraw/zinc/73/94/95/991739495.db2.gz NPXLECKOQLGCBO-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@H](O)C[C@H]2C)CC1 ZINC001258775404 991739504 /nfs/dbraw/zinc/73/95/04/991739504.db2.gz NPXLECKOQLGCBO-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+](C)[C@@H]2CCCOC2)CC1 ZINC001258777682 991744269 /nfs/dbraw/zinc/74/42/69/991744269.db2.gz CYAYUTRQMLPCMR-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC001258777682 991744275 /nfs/dbraw/zinc/74/42/75/991744275.db2.gz CYAYUTRQMLPCMR-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@@]23CCOC3)CC1 ZINC001258777533 991744363 /nfs/dbraw/zinc/74/43/63/991744363.db2.gz XDXOHSDLELSVGM-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@]23CCOC3)CC1 ZINC001258777533 991744373 /nfs/dbraw/zinc/74/43/73/991744373.db2.gz XDXOHSDLELSVGM-AWEZNQCLSA-N 2 1 238.375 1.726 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC001319189391 991813446 /nfs/dbraw/zinc/81/34/46/991813446.db2.gz FSHVKRIEVBXEJN-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1CCC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001258811291 991816816 /nfs/dbraw/zinc/81/68/16/991816816.db2.gz XRRTZYORAHVNAA-QJPTWQEYSA-N 2 1 237.347 1.496 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001474736988 991825194 /nfs/dbraw/zinc/82/51/94/991825194.db2.gz KLTYYOOYROCNHT-YPMHNXCESA-N 2 1 249.358 1.668 20 0 BDADMP Cc1c[nH]c(=O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001474736988 991825202 /nfs/dbraw/zinc/82/52/02/991825202.db2.gz KLTYYOOYROCNHT-YPMHNXCESA-N 2 1 249.358 1.668 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCO)[C@H](C)C1 ZINC001319604094 991907923 /nfs/dbraw/zinc/90/79/23/991907923.db2.gz QPFFFNSAJVRBPA-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCO)[C@H](C)C1 ZINC001319604094 991907931 /nfs/dbraw/zinc/90/79/31/991907931.db2.gz QPFFFNSAJVRBPA-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCO)[C@H](C)C1 ZINC001319604094 991907937 /nfs/dbraw/zinc/90/79/37/991907937.db2.gz QPFFFNSAJVRBPA-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccccc1N1CCCC1 ZINC001261370141 992279745 /nfs/dbraw/zinc/27/97/45/992279745.db2.gz ACRXNTLIPPAOBQ-UHFFFAOYSA-N 2 1 247.386 1.986 20 0 BDADMP CC[N@@H+](C)CCC(=O)N(C)CCC[NH2+]C(C)C ZINC001569254879 992349350 /nfs/dbraw/zinc/34/93/50/992349350.db2.gz GMZHLOHBGOGZJA-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001474756858 992520746 /nfs/dbraw/zinc/52/07/46/992520746.db2.gz MYCSBRKICAPAEC-YOMYCBHVSA-N 2 1 238.375 1.484 20 0 BDADMP COC[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261849761 992524223 /nfs/dbraw/zinc/52/42/23/992524223.db2.gz OHBGPTVDLQUDCN-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001262202528 992800788 /nfs/dbraw/zinc/80/07/88/992800788.db2.gz WGJNIXZZWXGMBB-QNWHQSFQSA-N 3 1 239.407 1.208 20 0 BDADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)[C@@H]21 ZINC001574799802 992908886 /nfs/dbraw/zinc/90/88/86/992908886.db2.gz FQKULVDZOAJGIQ-QEHJDLSMSA-N 2 1 236.359 1.142 20 0 BDADMP CC(=O)C[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001574979770 992958031 /nfs/dbraw/zinc/95/80/31/992958031.db2.gz CZINCNIZMMNBBZ-NEPJUHHUSA-N 2 1 210.321 1.026 20 0 BDADMP CC(=O)C[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001574979770 992958040 /nfs/dbraw/zinc/95/80/40/992958040.db2.gz CZINCNIZMMNBBZ-NEPJUHHUSA-N 2 1 210.321 1.026 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC2=NOCC2)C1 ZINC001575116718 992982356 /nfs/dbraw/zinc/98/23/56/992982356.db2.gz YNDUMZTVNRLFDL-ZDUSSCGKSA-N 2 1 239.363 1.460 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2=NOCC2)C1 ZINC001575116718 992982365 /nfs/dbraw/zinc/98/23/65/992982365.db2.gz YNDUMZTVNRLFDL-ZDUSSCGKSA-N 2 1 239.363 1.460 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC001575317757 993010258 /nfs/dbraw/zinc/01/02/58/993010258.db2.gz IZZRFYNWCXSANC-YUMQZZPRSA-N 2 1 240.269 1.423 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC001575358579 993022412 /nfs/dbraw/zinc/02/24/12/993022412.db2.gz YIVHZUPIBKHEPD-UHFFFAOYSA-N 2 1 245.330 1.094 20 0 BDADMP CC(C)(O)C[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001575379802 993030724 /nfs/dbraw/zinc/03/07/24/993030724.db2.gz LRVJKGXWJAZUMB-DGCLKSJQSA-N 2 1 226.364 1.208 20 0 BDADMP CC(C)(O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001575380057 993032242 /nfs/dbraw/zinc/03/22/42/993032242.db2.gz QKKVSEXVIAYHRZ-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP Nc1nc(NCC2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC001262693802 993036236 /nfs/dbraw/zinc/03/62/36/993036236.db2.gz AKRHCKVGMVUQPY-UHFFFAOYSA-N 2 1 247.346 1.345 20 0 BDADMP CC(C)[C@@H](C[NH3+])CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001575423341 993040395 /nfs/dbraw/zinc/04/03/95/993040395.db2.gz SCBJCOFLNXFGNI-MJBXVCDLSA-N 3 1 239.407 1.101 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001575423341 993040406 /nfs/dbraw/zinc/04/04/06/993040406.db2.gz SCBJCOFLNXFGNI-MJBXVCDLSA-N 2 1 239.407 1.101 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001575423341 993040414 /nfs/dbraw/zinc/04/04/14/993040414.db2.gz SCBJCOFLNXFGNI-MJBXVCDLSA-N 2 1 239.407 1.101 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001575423341 993040426 /nfs/dbraw/zinc/04/04/26/993040426.db2.gz SCBJCOFLNXFGNI-MJBXVCDLSA-N 3 1 239.407 1.101 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001575423341 993040433 /nfs/dbraw/zinc/04/04/33/993040433.db2.gz SCBJCOFLNXFGNI-MJBXVCDLSA-N 3 1 239.407 1.101 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC001575423341 993040441 /nfs/dbraw/zinc/04/04/41/993040441.db2.gz SCBJCOFLNXFGNI-MJBXVCDLSA-N 2 1 239.407 1.101 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC001575423341 993040446 /nfs/dbraw/zinc/04/04/46/993040446.db2.gz SCBJCOFLNXFGNI-MJBXVCDLSA-N 2 1 239.407 1.101 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc2nccn21 ZINC001575459863 993047418 /nfs/dbraw/zinc/04/74/18/993047418.db2.gz CTPSVAHEEXJECV-GFCCVEGCSA-N 2 1 232.331 1.407 20 0 BDADMP CC(C)[C@@H](O)CC[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001575472995 993050062 /nfs/dbraw/zinc/05/00/62/993050062.db2.gz RXIICZAYLFHGLP-CPCZMJQVSA-N 2 1 226.364 1.349 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001575472995 993050068 /nfs/dbraw/zinc/05/00/68/993050068.db2.gz RXIICZAYLFHGLP-CPCZMJQVSA-N 2 1 226.364 1.349 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC001575472061 993050106 /nfs/dbraw/zinc/05/01/06/993050106.db2.gz LOXKNUVZNPERDK-GHMZBOCLSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[N@H+]1CCCC[C@H]1CN[C@H](C[NH3+])C1CC1 ZINC001575700276 993099005 /nfs/dbraw/zinc/09/90/05/993099005.db2.gz OVUAWZVIDCPJJN-UONOGXRCSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC001576102762 993180841 /nfs/dbraw/zinc/18/08/41/993180841.db2.gz HMMYSQRTSTWNGA-SFYZADRCSA-N 2 1 220.276 1.048 20 0 BDADMP Cc1ncccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000378675457 993198337 /nfs/dbraw/zinc/19/83/37/993198337.db2.gz OLSHQBJAEVPZEJ-ZDUSSCGKSA-N 2 1 219.332 1.703 20 0 BDADMP C[C@@H](O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576262573 993235578 /nfs/dbraw/zinc/23/55/78/993235578.db2.gz FHKLCEUDHZJYPL-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576269060 993245642 /nfs/dbraw/zinc/24/56/42/993245642.db2.gz LCHHLGFCIIPNAK-ZDEQEGDKSA-N 2 1 226.364 1.207 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001576393846 993290193 /nfs/dbraw/zinc/29/01/93/993290193.db2.gz LYBUEAIAVPJSBZ-CQSZACIVSA-N 2 1 248.370 1.738 20 0 BDADMP CCOCC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000380088298 993311983 /nfs/dbraw/zinc/31/19/83/993311983.db2.gz IEHWRFUJXDDXTH-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000380242867 993323423 /nfs/dbraw/zinc/32/34/23/993323423.db2.gz WIFCJRGQEMUNIY-LBPRGKRZSA-N 2 1 236.363 1.289 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CCCCO1 ZINC001576502957 993325670 /nfs/dbraw/zinc/32/56/70/993325670.db2.gz JMIVDHGUFHEDGQ-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC2(CCC2)C1 ZINC000380458774 993330031 /nfs/dbraw/zinc/33/00/31/993330031.db2.gz UVJBXPBUBNDZQH-GFCCVEGCSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@]1(CO)CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001576525832 993331134 /nfs/dbraw/zinc/33/11/34/993331134.db2.gz ITDNAVDURJHDFI-CHWSQXEVSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@H]1C(=O)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576566031 993348759 /nfs/dbraw/zinc/34/87/59/993348759.db2.gz XOLGSRDXIFLSOJ-GARJFASQSA-N 2 1 210.321 1.167 20 0 BDADMP C[C@H]1C(=O)CCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576566031 993348765 /nfs/dbraw/zinc/34/87/65/993348765.db2.gz XOLGSRDXIFLSOJ-GARJFASQSA-N 2 1 210.321 1.167 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC001576596851 993360503 /nfs/dbraw/zinc/36/05/03/993360503.db2.gz AVIRILROUCREFQ-FDYHWXHSSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@H]1C[C@H](CO)C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576596867 993361141 /nfs/dbraw/zinc/36/11/41/993361141.db2.gz BEFKNWCDHXYQAJ-ZDEQEGDKSA-N 2 1 226.364 1.064 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H](O)CC[C@H]2C)CC[NH2+]1 ZINC001576597239 993361345 /nfs/dbraw/zinc/36/13/45/993361345.db2.gz DTTBVALYMGTQCL-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC[NH2+]1 ZINC001576597830 993362105 /nfs/dbraw/zinc/36/21/05/993362105.db2.gz JEPSASZRNGYPIY-PDWCTOEPSA-N 2 1 238.375 1.077 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC001576597240 993362253 /nfs/dbraw/zinc/36/22/53/993362253.db2.gz DTTBVALYMGTQCL-QNWHQSFQSA-N 2 1 226.364 1.220 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000381243530 993383886 /nfs/dbraw/zinc/38/38/86/993383886.db2.gz MPQBUQRLVBTQPD-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)O1 ZINC001576648960 993384102 /nfs/dbraw/zinc/38/41/02/993384102.db2.gz CNTRSWCCAVRNNT-QNWHQSFQSA-N 2 1 224.348 1.095 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C1CC1 ZINC000381312214 993384344 /nfs/dbraw/zinc/38/43/44/993384344.db2.gz LVVLQZIAFGXVNQ-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)C[NH2+]1 ZINC001576671335 993392336 /nfs/dbraw/zinc/39/23/36/993392336.db2.gz YMGNCUABMZESPS-UVLXDEKHSA-N 2 1 248.374 1.254 20 0 BDADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)[nH]n1 ZINC000381435151 993394508 /nfs/dbraw/zinc/39/45/08/993394508.db2.gz CMQYKTHFZZZYMY-UHFFFAOYSA-N 2 1 220.320 1.070 20 0 BDADMP CCc1nc(N2CCC[C@@H]([NH3+])[C@H]2C)cc(C)[nH+]1 ZINC000381452503 993396345 /nfs/dbraw/zinc/39/63/45/993396345.db2.gz HGDBCLMNKORAJT-GHMZBOCLSA-N 2 1 234.347 1.663 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H]1CO ZINC001576732469 993407235 /nfs/dbraw/zinc/40/72/35/993407235.db2.gz VBDSLAOWKLIAFQ-ZDEQEGDKSA-N 2 1 226.364 1.064 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@@H]1C[NH3+] ZINC001576734692 993413220 /nfs/dbraw/zinc/41/32/20/993413220.db2.gz IMWREGDFBSVYRY-PWSUYJOCSA-N 2 1 235.331 1.204 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1COC(C)(C)O1 ZINC001576749619 993414177 /nfs/dbraw/zinc/41/41/77/993414177.db2.gz SPOMAIZXFOWODM-WYUUTHIRSA-N 2 1 242.363 1.114 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC001576750089 993414352 /nfs/dbraw/zinc/41/43/52/993414352.db2.gz VGOAHIBOAQYHEQ-FDYHWXHSSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576806116 993427005 /nfs/dbraw/zinc/42/70/05/993427005.db2.gz BOOMMDSWPMSUFG-QNWHQSFQSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576903407 993451086 /nfs/dbraw/zinc/45/10/86/993451086.db2.gz JJHNBINOGXHGGE-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576904244 993451656 /nfs/dbraw/zinc/45/16/56/993451656.db2.gz SSUTZNQPOVTHAN-OKZRHMCRSA-N 2 1 224.348 1.367 20 0 BDADMP CC[C@@](C)(C[NH2+]C[C@@H]([NH3+])CC(F)(F)F)OC ZINC001576949799 993464780 /nfs/dbraw/zinc/46/47/80/993464780.db2.gz QPUMIRZCUKQKHB-IUCAKERBSA-N 2 1 242.285 1.671 20 0 BDADMP CC[C@@](C)(C[NH2+][C@H]1CC[NH2+][C@@H]1C)OC ZINC001576949909 993466105 /nfs/dbraw/zinc/46/61/05/993466105.db2.gz VIUBPYVGFPHKFB-VWYCJHECSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001576959805 993467807 /nfs/dbraw/zinc/46/78/07/993467807.db2.gz HZAGKLRULGIKBM-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@H](C)[C@H](C[N@H+](C)CC(C)(C)[NH3+])OC ZINC001576960494 993469112 /nfs/dbraw/zinc/46/91/12/993469112.db2.gz FAQFWBXPFNTDHY-QWRGUYRKSA-N 2 1 216.369 1.717 20 0 BDADMP CC[C@H](C)[C@H](C[N@@H+](C)CC(C)(C)[NH3+])OC ZINC001576960494 993469119 /nfs/dbraw/zinc/46/91/19/993469119.db2.gz FAQFWBXPFNTDHY-QWRGUYRKSA-N 2 1 216.369 1.717 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@@H+](CC1CC1)C(C)C ZINC000383810984 993523386 /nfs/dbraw/zinc/52/33/86/993523386.db2.gz VKAGTFJJICCJIL-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@]1(CO)CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577221176 993550004 /nfs/dbraw/zinc/55/00/04/993550004.db2.gz YJWNPDNRQOXRKW-HZSPNIEDSA-N 2 1 240.391 1.326 20 0 BDADMP CC[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC001577263957 993569144 /nfs/dbraw/zinc/56/91/44/993569144.db2.gz WBLVDIFUNPIVRQ-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)[C@H]1C ZINC001577263656 993569760 /nfs/dbraw/zinc/56/97/60/993569760.db2.gz UHOPAEKCMRLELB-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1[NH3+] ZINC001577279778 993576865 /nfs/dbraw/zinc/57/68/65/993576865.db2.gz PYLQONCPZVKXFC-NEPJUHHUSA-N 2 1 235.331 1.346 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001577328611 993595325 /nfs/dbraw/zinc/59/53/25/993595325.db2.gz UGEBTIWZEXQEMH-AAEUAGOBSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(C)[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001577654773 993710354 /nfs/dbraw/zinc/71/03/54/993710354.db2.gz HDTJDOUTHXBACV-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+](C)[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC001577654773 993710364 /nfs/dbraw/zinc/71/03/64/993710364.db2.gz HDTJDOUTHXBACV-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC001577654773 993710376 /nfs/dbraw/zinc/71/03/76/993710376.db2.gz HDTJDOUTHXBACV-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@H]2CCC[NH+](C)CC2)C1 ZINC000389556275 993748649 /nfs/dbraw/zinc/74/86/49/993748649.db2.gz RQDSKVAODQWHBR-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CC[NH+]1CC[C@@H](N[C@H]2CCC[N@@H+](C)CC2)C1 ZINC000389556275 993748664 /nfs/dbraw/zinc/74/86/64/993748664.db2.gz RQDSKVAODQWHBR-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@H]2CCC[N@H+](C)CC2)C1 ZINC000389556275 993748671 /nfs/dbraw/zinc/74/86/71/993748671.db2.gz RQDSKVAODQWHBR-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CCN1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC000389556275 993748680 /nfs/dbraw/zinc/74/86/80/993748680.db2.gz RQDSKVAODQWHBR-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]23CCOC3)C[NH2+]1 ZINC000390122608 993776206 /nfs/dbraw/zinc/77/62/06/993776206.db2.gz GMVCEDPPBGLHMI-FRRDWIJNSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCOC3)C[NH2+]1 ZINC000390122608 993776218 /nfs/dbraw/zinc/77/62/18/993776218.db2.gz GMVCEDPPBGLHMI-FRRDWIJNSA-N 2 1 224.348 1.382 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](CC)CC ZINC000390599915 993800805 /nfs/dbraw/zinc/80/08/05/993800805.db2.gz VQKCXHLYTQBIQH-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](CC)C1 ZINC000393374569 993940613 /nfs/dbraw/zinc/94/06/13/993940613.db2.gz KNAMVHNDOVGEIV-GFCCVEGCSA-N 2 1 213.369 1.012 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001336276087 995000944 /nfs/dbraw/zinc/00/09/44/995000944.db2.gz ACJVCDNTJRVQCD-LBELIVKGSA-N 2 1 206.333 1.478 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000336728188 398136066 /nfs/dbraw/zinc/13/60/66/398136066.db2.gz WONMKRKVVYBXHX-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000336728188 398136071 /nfs/dbraw/zinc/13/60/71/398136071.db2.gz WONMKRKVVYBXHX-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cn[nH]c1 ZINC000340524377 398137052 /nfs/dbraw/zinc/13/70/52/398137052.db2.gz IYHAAAYDMPJFTH-KWBADKCTSA-N 2 1 234.347 1.543 20 0 BDADMP CCC(CC)(CC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310397214 168318171 /nfs/dbraw/zinc/31/81/71/168318171.db2.gz MFXSRDYPEVIERN-CYBMUJFWSA-N 2 1 242.407 2.000 20 0 BDADMP CCC(CC)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310397214 168318174 /nfs/dbraw/zinc/31/81/74/168318174.db2.gz MFXSRDYPEVIERN-CYBMUJFWSA-N 2 1 242.407 2.000 20 0 BDADMP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000563201399 398146916 /nfs/dbraw/zinc/14/69/16/398146916.db2.gz UDIVDUDBZVDEGY-GRYCIOLGSA-N 2 1 241.379 1.103 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CCO ZINC000161765614 349503394 /nfs/dbraw/zinc/50/33/94/349503394.db2.gz CPJFBVIWRCCDNV-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CCO ZINC000161765614 349503398 /nfs/dbraw/zinc/50/33/98/349503398.db2.gz CPJFBVIWRCCDNV-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CCO ZINC000161765614 349503399 /nfs/dbraw/zinc/50/33/99/349503399.db2.gz CPJFBVIWRCCDNV-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422939379 398158475 /nfs/dbraw/zinc/15/84/75/398158475.db2.gz RGNBDCUZVZNROR-IVZWLZJFSA-N 2 1 202.367 1.326 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000379915689 398174553 /nfs/dbraw/zinc/17/45/53/398174553.db2.gz OFTGJVNKGUCUIH-KOLCDFICSA-N 2 1 248.317 1.219 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000379915689 398174558 /nfs/dbraw/zinc/17/45/58/398174558.db2.gz OFTGJVNKGUCUIH-KOLCDFICSA-N 2 1 248.317 1.219 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761280 398165050 /nfs/dbraw/zinc/16/50/50/398165050.db2.gz DSOJHEDKXKBNDA-MJBXVCDLSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1cc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC000336745730 398186237 /nfs/dbraw/zinc/18/62/37/398186237.db2.gz QWEVWPKSGOUKLH-DGCLKSJQSA-N 2 1 219.332 1.707 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342083902 398187734 /nfs/dbraw/zinc/18/77/34/398187734.db2.gz LCIKNKAGNJSAML-CFVMTHIKSA-N 2 1 245.370 1.828 20 0 BDADMP C[C@H]1C[NH2+]CCN1c1cc[nH+]cc1Cl ZINC000086839828 398191999 /nfs/dbraw/zinc/19/19/99/398191999.db2.gz OALMDYXTSHOSOO-QMMMGPOBSA-N 2 1 211.696 1.533 20 0 BDADMP [NH3+][C@H](CNc1cc[nH+]cc1Cl)C1CC1 ZINC000086841347 398192120 /nfs/dbraw/zinc/19/21/20/398192120.db2.gz YBDNTKGLYYOQKA-SECBINFHSA-N 2 1 211.696 1.884 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CC[N@H+]1C ZINC000385933742 398192478 /nfs/dbraw/zinc/19/24/78/398192478.db2.gz VEKVLMDVKBALBL-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc[nH+]1 ZINC000274814442 178118586 /nfs/dbraw/zinc/11/85/86/178118586.db2.gz YSVSNVOVMJPPAQ-GXTWGEPZSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)cc[nH+]1 ZINC000292251907 178119016 /nfs/dbraw/zinc/11/90/16/178119016.db2.gz KGPYABOTOQEJID-AWEZNQCLSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000228164626 178119983 /nfs/dbraw/zinc/11/99/83/178119983.db2.gz FBWFWLFFJSPHNI-ONGXEEELSA-N 2 1 220.320 1.267 20 0 BDADMP Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)nc(C)[nH+]1 ZINC000228085061 178121318 /nfs/dbraw/zinc/12/13/18/178121318.db2.gz PRRWMTOLUUNLIH-MWLCHTKSSA-N 2 1 220.320 1.267 20 0 BDADMP Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc(C)[nH+]1 ZINC000131037320 178121836 /nfs/dbraw/zinc/12/18/36/178121836.db2.gz LOAOCGWRGRMKNT-XQQFMLRXSA-N 2 1 246.358 1.657 20 0 BDADMP C[C@H]([NH2+]CC(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000386626225 398213745 /nfs/dbraw/zinc/21/37/45/398213745.db2.gz ZBDMYHPOXFSAOJ-WDEREUQCSA-N 2 1 214.353 1.125 20 0 BDADMP Cc1cc(NCC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000044526262 178158327 /nfs/dbraw/zinc/15/83/27/178158327.db2.gz XRZKBGNCGKSTCV-UHFFFAOYSA-N 2 1 234.347 1.847 20 0 BDADMP Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000037756835 178167421 /nfs/dbraw/zinc/16/74/21/178167421.db2.gz HRPZTGZQVDDOQY-NSHDSACASA-N 2 1 220.320 1.457 20 0 BDADMP Cc1cc(NC[C@@H]2CC[N@H+](C)C2)nc(C)[nH+]1 ZINC000037756835 178167423 /nfs/dbraw/zinc/16/74/23/178167423.db2.gz HRPZTGZQVDDOQY-NSHDSACASA-N 2 1 220.320 1.457 20 0 BDADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163788480 538930650 /nfs/dbraw/zinc/93/06/50/538930650.db2.gz YVFCGOBXQZIEIB-REWJHTLYSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCc1cccnc1)C1CC1 ZINC000430559097 398228271 /nfs/dbraw/zinc/22/82/71/398228271.db2.gz RUHKCDNLMHXUJT-CYBMUJFWSA-N 2 1 219.332 1.341 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)no1 ZINC000285379512 178222611 /nfs/dbraw/zinc/22/26/11/178222611.db2.gz WIDZVYQOBMTMFR-LLVKDONJSA-N 2 1 235.331 1.896 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)no1 ZINC000285379512 178222612 /nfs/dbraw/zinc/22/26/12/178222612.db2.gz WIDZVYQOBMTMFR-LLVKDONJSA-N 2 1 235.331 1.896 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431104127 398234941 /nfs/dbraw/zinc/23/49/41/398234941.db2.gz FIZISLZBTGYYCQ-DTORHVGOSA-N 2 1 238.335 1.636 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431104127 398234944 /nfs/dbraw/zinc/23/49/44/398234944.db2.gz FIZISLZBTGYYCQ-DTORHVGOSA-N 2 1 238.335 1.636 20 0 BDADMP CCC(CC)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309172539 168361941 /nfs/dbraw/zinc/36/19/41/168361941.db2.gz LRFLEXWKKJJIDR-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP CCC(CC)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309172539 168361946 /nfs/dbraw/zinc/36/19/46/168361946.db2.gz LRFLEXWKKJJIDR-LBPRGKRZSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)CC[N@@H+]1C ZINC000250074565 259307993 /nfs/dbraw/zinc/30/79/93/259307993.db2.gz OJLSYMWEEBOHQH-XJFOESAGSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)CC[N@H+]1C ZINC000250074565 259307994 /nfs/dbraw/zinc/30/79/94/259307994.db2.gz OJLSYMWEEBOHQH-XJFOESAGSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+]CCn1cc[nH+]c1C)OC ZINC000381325535 398251654 /nfs/dbraw/zinc/25/16/54/398251654.db2.gz XOQQLZQXCXROAH-AAEUAGOBSA-N 2 1 239.363 1.842 20 0 BDADMP CCCC[N@H+](CCO)CCCn1cc[nH+]c1C ZINC000127338385 323004971 /nfs/dbraw/zinc/00/49/71/323004971.db2.gz BLZLJHHTTJMKDL-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP CCCC[N@@H+](CCO)CCCn1cc[nH+]c1C ZINC000127338385 323004972 /nfs/dbraw/zinc/00/49/72/323004972.db2.gz BLZLJHHTTJMKDL-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP CC[C@H](C)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000180233817 538957681 /nfs/dbraw/zinc/95/76/81/538957681.db2.gz XZLVDYMLNCJZCK-AWEZNQCLSA-N 2 1 241.423 1.650 20 0 BDADMP C[C@@H]([NH2+]CCCN(C)C)C1CC[NH+](C)CC1 ZINC000037210225 538962052 /nfs/dbraw/zinc/96/20/52/538962052.db2.gz HHDVTDLHVCISMQ-GFCCVEGCSA-N 2 1 227.396 1.258 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)[C@H](C)C1 ZINC000184529721 538968996 /nfs/dbraw/zinc/96/89/96/538968996.db2.gz QXZJSBAKRHSORI-OLZOCXBDSA-N 2 1 240.391 1.469 20 0 BDADMP O[C@H]1CC[N@@H+](CCNc2[nH+]ccc3[nH]ccc32)C1 ZINC000624775322 342829113 /nfs/dbraw/zinc/82/91/13/342829113.db2.gz DVDGHOHNODCNHM-JTQLQIEISA-N 2 1 246.314 1.041 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129467732 398291403 /nfs/dbraw/zinc/29/14/03/398291403.db2.gz KFMASHHLPACFIR-AXFHLTTASA-N 2 1 200.326 1.094 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129467732 398291406 /nfs/dbraw/zinc/29/14/06/398291406.db2.gz KFMASHHLPACFIR-AXFHLTTASA-N 2 1 200.326 1.094 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129467964 398291435 /nfs/dbraw/zinc/29/14/35/398291435.db2.gz KFMASHHLPACFIR-DCAQKATOSA-N 2 1 200.326 1.094 20 0 BDADMP COC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129467964 398291437 /nfs/dbraw/zinc/29/14/37/398291437.db2.gz KFMASHHLPACFIR-DCAQKATOSA-N 2 1 200.326 1.094 20 0 BDADMP CCC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000380008522 538983830 /nfs/dbraw/zinc/98/38/30/538983830.db2.gz QMQWBIGLLKSQJE-LLVKDONJSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CC2)CC[N@@H+]1C ZINC000381787363 539006874 /nfs/dbraw/zinc/00/68/74/539006874.db2.gz ZEUKQFRVYAQVIR-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CC2)CC[N@H+]1C ZINC000381787363 539006875 /nfs/dbraw/zinc/00/68/75/539006875.db2.gz ZEUKQFRVYAQVIR-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C/C=C/C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624199186 342842085 /nfs/dbraw/zinc/84/20/85/342842085.db2.gz IQIXAERSRJRIHA-HSWBROFVSA-N 2 1 238.375 1.796 20 0 BDADMP C[N@H+](C[C@H]1CCCCO1)[C@@H](C[NH3+])C1CC1 ZINC000042463668 362001739 /nfs/dbraw/zinc/00/17/39/362001739.db2.gz NOIWJAGNHPZIME-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)[C@@H](C[NH3+])C1CC1 ZINC000042463668 362001743 /nfs/dbraw/zinc/00/17/43/362001743.db2.gz NOIWJAGNHPZIME-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000389206763 398305990 /nfs/dbraw/zinc/30/59/90/398305990.db2.gz ZWWHCZLTSGVBCP-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000389206763 398305993 /nfs/dbraw/zinc/30/59/93/398305993.db2.gz ZWWHCZLTSGVBCP-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000389206763 398305995 /nfs/dbraw/zinc/30/59/95/398305995.db2.gz ZWWHCZLTSGVBCP-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000389206763 398306000 /nfs/dbraw/zinc/30/60/00/398306000.db2.gz ZWWHCZLTSGVBCP-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000389206763 398306001 /nfs/dbraw/zinc/30/60/01/398306001.db2.gz ZWWHCZLTSGVBCP-RFQIPJPRSA-N 2 1 239.407 1.399 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCSC1 ZINC000037175241 342924525 /nfs/dbraw/zinc/92/45/25/342924525.db2.gz CAXPRGPKDNJDJH-WDEREUQCSA-N 2 1 216.394 1.797 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCSC1 ZINC000037175241 342924527 /nfs/dbraw/zinc/92/45/27/342924527.db2.gz CAXPRGPKDNJDJH-WDEREUQCSA-N 2 1 216.394 1.797 20 0 BDADMP CCc1cc(NC[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000307765833 529557571 /nfs/dbraw/zinc/55/75/71/529557571.db2.gz AABNOPVRWGIUKW-ZDUSSCGKSA-N 2 1 235.331 1.387 20 0 BDADMP CCc1cc(NC[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000307765833 529557574 /nfs/dbraw/zinc/55/75/74/529557574.db2.gz AABNOPVRWGIUKW-ZDUSSCGKSA-N 2 1 235.331 1.387 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235076459 342977263 /nfs/dbraw/zinc/97/72/63/342977263.db2.gz GFYIUXJNJLSTRS-NWDGAFQWSA-N 2 1 222.332 1.942 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000335906770 136260640 /nfs/dbraw/zinc/26/06/40/136260640.db2.gz XSIXBNJVPBKGDY-GXTWGEPZSA-N 2 1 231.343 1.453 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc2C1 ZINC000235149644 259342190 /nfs/dbraw/zinc/34/21/90/259342190.db2.gz CEMVDEKLDYZDKI-GXFFZTMASA-N 2 1 204.317 1.481 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650689 343061030 /nfs/dbraw/zinc/06/10/30/343061030.db2.gz RYXPTRKDQMQJQV-LBPRGKRZSA-N 2 1 237.347 1.462 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650689 343061031 /nfs/dbraw/zinc/06/10/31/343061031.db2.gz RYXPTRKDQMQJQV-LBPRGKRZSA-N 2 1 237.347 1.462 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@H]([NH3+])CCC(C)C)n1 ZINC000634557137 362047656 /nfs/dbraw/zinc/04/76/56/362047656.db2.gz OBPUDYUTAFUCBK-VHSXEESVSA-N 2 1 240.351 1.656 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@H](C)C1 ZINC000189287091 136270729 /nfs/dbraw/zinc/27/07/29/136270729.db2.gz HAAQTFBOXZUNJQ-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@H](C)C1 ZINC000189287113 136270828 /nfs/dbraw/zinc/27/08/28/136270828.db2.gz HAAQTFBOXZUNJQ-YIYPIFLZSA-N 2 1 240.391 1.467 20 0 BDADMP COC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000130042714 343180203 /nfs/dbraw/zinc/18/02/03/343180203.db2.gz ZDQXCJIDXJWQDT-HSBZDZAISA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccncc1 ZINC000576976078 365738191 /nfs/dbraw/zinc/73/81/91/365738191.db2.gz HVIDXYOYZZGYMQ-LLVKDONJSA-N 2 1 207.321 1.732 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)COC)C1 ZINC000163535720 343206944 /nfs/dbraw/zinc/20/69/44/343206944.db2.gz VSUAQYXDVSQKOS-NWDGAFQWSA-N 2 1 214.353 1.200 20 0 BDADMP CC1(C)C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)CCO1 ZINC000634684618 343217727 /nfs/dbraw/zinc/21/77/27/343217727.db2.gz VWFGRLHWQHJTBY-QWRGUYRKSA-N 2 1 249.358 1.814 20 0 BDADMP CC1(C)C[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)CCO1 ZINC000634684619 343217828 /nfs/dbraw/zinc/21/78/28/343217828.db2.gz VWFGRLHWQHJTBY-WDEREUQCSA-N 2 1 249.358 1.814 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Cl)o1 ZINC000401762376 343229068 /nfs/dbraw/zinc/22/90/68/343229068.db2.gz VYSWQJAHNLNWKH-UHFFFAOYSA-N 2 1 239.706 1.999 20 0 BDADMP CCc1cc(NC[C@@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC000087655237 136282154 /nfs/dbraw/zinc/28/21/54/136282154.db2.gz CNPCYIALXPXBNM-SNVBAGLBSA-N 2 1 220.320 1.369 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)O1 ZINC000634688442 343247108 /nfs/dbraw/zinc/24/71/08/343247108.db2.gz SRJYRUJZUFAPTN-NWDGAFQWSA-N 2 1 224.348 1.382 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000310120615 343288468 /nfs/dbraw/zinc/28/84/68/343288468.db2.gz ACCHZIFXURZMAB-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000310120613 343288548 /nfs/dbraw/zinc/28/85/48/343288548.db2.gz ACCHZIFXURZMAB-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](COC)[NH2+]C1CC[NH+](C)CC1 ZINC000070623828 343335959 /nfs/dbraw/zinc/33/59/59/343335959.db2.gz HEDPLXARGHDDBL-SNVBAGLBSA-N 2 1 200.326 1.095 20 0 BDADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000334738157 343351241 /nfs/dbraw/zinc/35/12/41/343351241.db2.gz GYUBDQMEVJYCAC-UHFFFAOYSA-N 2 1 233.359 1.882 20 0 BDADMP CC(C)OCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594541 343450442 /nfs/dbraw/zinc/45/04/42/343450442.db2.gz RZYGWWDZCNUSJS-GFCCVEGCSA-N 2 1 214.353 1.615 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247983242 136373420 /nfs/dbraw/zinc/37/34/20/136373420.db2.gz IPELLCJSXGBUQM-XQQFMLRXSA-N 2 1 226.364 1.437 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247983237 136373583 /nfs/dbraw/zinc/37/35/83/136373583.db2.gz IPELLCJSXGBUQM-AVGNSLFASA-N 2 1 226.364 1.437 20 0 BDADMP CCc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000258966411 136374172 /nfs/dbraw/zinc/37/41/72/136374172.db2.gz LFNZBASRAAHTHW-CYBMUJFWSA-N 2 1 222.332 1.000 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261542348 136374508 /nfs/dbraw/zinc/37/45/08/136374508.db2.gz GSWVJVZDUFGBSN-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CCC1 ZINC000580566990 365771902 /nfs/dbraw/zinc/77/19/02/365771902.db2.gz LWHGJNNJGRTBJM-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CCC1 ZINC000580566990 365771907 /nfs/dbraw/zinc/77/19/07/365771907.db2.gz LWHGJNNJGRTBJM-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000580566990 365771912 /nfs/dbraw/zinc/77/19/12/365771912.db2.gz LWHGJNNJGRTBJM-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000580566990 365771917 /nfs/dbraw/zinc/77/19/17/365771917.db2.gz LWHGJNNJGRTBJM-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H](C)C1 ZINC000624257620 343620061 /nfs/dbraw/zinc/62/00/61/343620061.db2.gz KMIKIVDLTZEVCS-WCQYABFASA-N 2 1 249.358 1.607 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)CC ZINC000380037767 343672473 /nfs/dbraw/zinc/67/24/73/343672473.db2.gz SORUZXUWNOCDGF-NWDGAFQWSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000380037767 343672475 /nfs/dbraw/zinc/67/24/75/343672475.db2.gz SORUZXUWNOCDGF-NWDGAFQWSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000380037767 343672476 /nfs/dbraw/zinc/67/24/76/343672476.db2.gz SORUZXUWNOCDGF-NWDGAFQWSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000380037767 343672477 /nfs/dbraw/zinc/67/24/77/343672477.db2.gz SORUZXUWNOCDGF-NWDGAFQWSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000380037767 343672478 /nfs/dbraw/zinc/67/24/78/343672478.db2.gz SORUZXUWNOCDGF-NWDGAFQWSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)CC ZINC000380037769 343672608 /nfs/dbraw/zinc/67/26/08/343672608.db2.gz SORUZXUWNOCDGF-VXGBXAGGSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000380037769 343672611 /nfs/dbraw/zinc/67/26/11/343672611.db2.gz SORUZXUWNOCDGF-VXGBXAGGSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000380037769 343672613 /nfs/dbraw/zinc/67/26/13/343672613.db2.gz SORUZXUWNOCDGF-VXGBXAGGSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000380037769 343672615 /nfs/dbraw/zinc/67/26/15/343672615.db2.gz SORUZXUWNOCDGF-VXGBXAGGSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000380037769 343672616 /nfs/dbraw/zinc/67/26/16/343672616.db2.gz SORUZXUWNOCDGF-VXGBXAGGSA-N 2 1 216.369 1.419 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2C)C1 ZINC000309055980 346957897 /nfs/dbraw/zinc/95/78/97/346957897.db2.gz UKDGXTOYUHEIKS-XQQFMLRXSA-N 2 1 210.365 1.964 20 0 BDADMP CC[C@H](C[NH2+]CC1=CCCOC1)[NH+]1CCCC1 ZINC000126431554 343703572 /nfs/dbraw/zinc/70/35/72/343703572.db2.gz VXZJFPFUYVTITM-CQSZACIVSA-N 2 1 238.375 1.797 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)O1 ZINC000149782916 537809460 /nfs/dbraw/zinc/80/94/60/537809460.db2.gz SJLGAHGNYGNTEG-KKOKHZNYSA-N 2 1 212.337 1.223 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000051251041 347005906 /nfs/dbraw/zinc/00/59/06/347005906.db2.gz AZBNJMXNZYUBMW-LLVKDONJSA-N 2 1 214.353 1.472 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)CCO1 ZINC000401866959 343916585 /nfs/dbraw/zinc/91/65/85/343916585.db2.gz IDIMYNOMYPLQHP-DGCLKSJQSA-N 2 1 237.347 1.510 20 0 BDADMP C([C@H]1CCCOC1)[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221388789 259373050 /nfs/dbraw/zinc/37/30/50/259373050.db2.gz QWILHNZOHWUPLU-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221388789 259373052 /nfs/dbraw/zinc/37/30/52/259373052.db2.gz QWILHNZOHWUPLU-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000130335491 344132082 /nfs/dbraw/zinc/13/20/82/344132082.db2.gz ZRTDNMVXVYCKCF-GFCCVEGCSA-N 2 1 241.379 1.104 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000570737120 323068926 /nfs/dbraw/zinc/06/89/26/323068926.db2.gz RFJULMHJLOHSNZ-RISCZKNCSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]([C@H](C)C1CC1)C1CC1 ZINC000570737120 323068927 /nfs/dbraw/zinc/06/89/27/323068927.db2.gz RFJULMHJLOHSNZ-RISCZKNCSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]([C@H](C)C1CC1)C1CC1 ZINC000570737120 323068928 /nfs/dbraw/zinc/06/89/28/323068928.db2.gz RFJULMHJLOHSNZ-RISCZKNCSA-N 2 1 240.391 1.562 20 0 BDADMP CC1(C)C[C@@H]([NH2+]Cc2c[nH]cn2)C(C)(C)O1 ZINC000086927531 344225456 /nfs/dbraw/zinc/22/54/56/344225456.db2.gz BSHLHAILHADTCC-SNVBAGLBSA-N 2 1 223.320 1.845 20 0 BDADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000131703575 344233793 /nfs/dbraw/zinc/23/37/93/344233793.db2.gz VFFKTHNROYIOEN-AAEUAGOBSA-N 2 1 249.358 1.520 20 0 BDADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000131703575 344233796 /nfs/dbraw/zinc/23/37/96/344233796.db2.gz VFFKTHNROYIOEN-AAEUAGOBSA-N 2 1 249.358 1.520 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000570737120 323068929 /nfs/dbraw/zinc/06/89/29/323068929.db2.gz RFJULMHJLOHSNZ-RISCZKNCSA-N 2 1 240.391 1.562 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000570737120 323068930 /nfs/dbraw/zinc/06/89/30/323068930.db2.gz RFJULMHJLOHSNZ-RISCZKNCSA-N 2 1 240.391 1.562 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000132241125 344289415 /nfs/dbraw/zinc/28/94/15/344289415.db2.gz ZOQDWSGIKGEULQ-NXEZZACHSA-N 2 1 200.326 1.094 20 0 BDADMP COc1c(C)c[nH+]c(CN2C[C@@H]([NH3+])C[C@@H]2C)c1C ZINC000385096419 344323614 /nfs/dbraw/zinc/32/36/14/344323614.db2.gz NYAXGSVTAHUKRN-JQWIXIFHSA-N 2 1 249.358 1.629 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000600699730 344359710 /nfs/dbraw/zinc/35/97/10/344359710.db2.gz CQNIZDPWNRHACN-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP C[NH2+]CCC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000132473040 344301384 /nfs/dbraw/zinc/30/13/84/344301384.db2.gz KEBADUWQWXQQKJ-NXEZZACHSA-N 2 1 202.367 1.422 20 0 BDADMP C[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[NH2+]1 ZINC000634808186 344393137 /nfs/dbraw/zinc/39/31/37/344393137.db2.gz LSPKHDOBVYGNRH-BDAKNGLRSA-N 2 1 231.303 1.510 20 0 BDADMP CCC[N@H+](CC(C)C)C[C@H](O)C[NH+](C)CC ZINC000380986221 344463930 /nfs/dbraw/zinc/46/39/30/344463930.db2.gz DEPJBZIIOSDZBL-CYBMUJFWSA-N 2 1 230.396 1.667 20 0 BDADMP CCC[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)CC ZINC000380986221 344463932 /nfs/dbraw/zinc/46/39/32/344463932.db2.gz DEPJBZIIOSDZBL-CYBMUJFWSA-N 2 1 230.396 1.667 20 0 BDADMP CCC[NH+](CC(C)C)C[C@H](O)C[N@H+](C)CC ZINC000380986221 344463934 /nfs/dbraw/zinc/46/39/34/344463934.db2.gz DEPJBZIIOSDZBL-CYBMUJFWSA-N 2 1 230.396 1.667 20 0 BDADMP CCC[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)CC ZINC000380986221 344463935 /nfs/dbraw/zinc/46/39/35/344463935.db2.gz DEPJBZIIOSDZBL-CYBMUJFWSA-N 2 1 230.396 1.667 20 0 BDADMP CCCc1[nH+]ccn1CC[C@H]1CC[NH2+]C1 ZINC000395946615 344576507 /nfs/dbraw/zinc/57/65/07/344576507.db2.gz XAARAXYRZBRSBP-LLVKDONJSA-N 2 1 207.321 1.835 20 0 BDADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000158322316 344597364 /nfs/dbraw/zinc/59/73/64/344597364.db2.gz DETMWTLOAXXWER-CYBMUJFWSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000158322316 344597367 /nfs/dbraw/zinc/59/73/67/344597367.db2.gz DETMWTLOAXXWER-CYBMUJFWSA-N 2 1 249.358 1.794 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccco1 ZINC000049329969 344614068 /nfs/dbraw/zinc/61/40/68/344614068.db2.gz BDPKUWUMSMAQOZ-UHFFFAOYSA-N 2 1 205.261 1.574 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccncc1 ZINC000049551912 344652584 /nfs/dbraw/zinc/65/25/84/344652584.db2.gz PGWHDUNEFLMWGT-LLVKDONJSA-N 2 1 207.321 1.511 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccnc1 ZINC000049551899 344652708 /nfs/dbraw/zinc/65/27/08/344652708.db2.gz HXVLTVMUGVUGHL-NSHDSACASA-N 2 1 207.321 1.511 20 0 BDADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309459692 347067897 /nfs/dbraw/zinc/06/78/97/347067897.db2.gz NNTYSOIMONLKGJ-RWMBFGLXSA-N 2 1 230.396 1.713 20 0 BDADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)[C@@H]1CC1(C)C ZINC000574288783 344732464 /nfs/dbraw/zinc/73/24/64/344732464.db2.gz UDHOXMHPJQYZFP-AVGNSLFASA-N 2 1 242.407 1.713 20 0 BDADMP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000309459691 347067879 /nfs/dbraw/zinc/06/78/79/347067879.db2.gz NNTYSOIMONLKGJ-AVGNSLFASA-N 2 1 230.396 1.713 20 0 BDADMP C[NH+]1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000486935612 530050498 /nfs/dbraw/zinc/05/04/98/530050498.db2.gz JNVPJUJAODJTGH-NSCUHMNNSA-N 2 1 231.343 1.779 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834815 344792650 /nfs/dbraw/zinc/79/26/50/344792650.db2.gz PLGBROANGWLKFG-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CSC)C1 ZINC000562984716 323078067 /nfs/dbraw/zinc/07/80/67/323078067.db2.gz FMFLQCHANWEYTF-VXGBXAGGSA-N 2 1 246.420 1.032 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069037 537872988 /nfs/dbraw/zinc/87/29/88/537872988.db2.gz UJZVDLDKDHHOBS-FQUUOJAGSA-N 2 1 240.391 1.610 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000154938552 345057719 /nfs/dbraw/zinc/05/77/19/345057719.db2.gz PLKFJIIBWCYJEB-AVGNSLFASA-N 2 1 242.407 1.977 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)C[C@@H]1C)C(C)C ZINC000156600831 345189882 /nfs/dbraw/zinc/18/98/82/345189882.db2.gz AOGZLUFJDPEYAS-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000156600831 345189885 /nfs/dbraw/zinc/18/98/85/345189885.db2.gz AOGZLUFJDPEYAS-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000156600831 345189887 /nfs/dbraw/zinc/18/98/87/345189887.db2.gz AOGZLUFJDPEYAS-UONOGXRCSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634995078 345183753 /nfs/dbraw/zinc/18/37/53/345183753.db2.gz UNCQMEKSTMJIAW-KGLIPLIRSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)[C@H](C[NH3+])CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634995078 345183756 /nfs/dbraw/zinc/18/37/56/345183756.db2.gz UNCQMEKSTMJIAW-KGLIPLIRSA-N 2 1 239.407 1.293 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000634995624 345185214 /nfs/dbraw/zinc/18/52/14/345185214.db2.gz KWKBMERRGNDNBM-CHWSQXEVSA-N 3 1 227.396 1.197 20 0 BDADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000634995882 345185733 /nfs/dbraw/zinc/18/57/33/345185733.db2.gz RTUXTBNTRHENRQ-CHWSQXEVSA-N 3 1 239.407 1.482 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](CNCc2ccon2)C1 ZINC000634959751 345133241 /nfs/dbraw/zinc/13/32/41/345133241.db2.gz AJHNOYQABAXDCG-LBPRGKRZSA-N 2 1 237.347 1.885 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998809 345199684 /nfs/dbraw/zinc/19/96/84/345199684.db2.gz LIVWASCNEGZMNZ-VHSXEESVSA-N 2 1 239.388 1.732 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998809 345199685 /nfs/dbraw/zinc/19/96/85/345199685.db2.gz LIVWASCNEGZMNZ-VHSXEESVSA-N 2 1 239.388 1.732 20 0 BDADMP Cn1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000634998008 345202691 /nfs/dbraw/zinc/20/26/91/345202691.db2.gz YKLYKJDYBHDIMH-CYBMUJFWSA-N 2 1 221.348 1.728 20 0 BDADMP Cn1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000634998008 345202693 /nfs/dbraw/zinc/20/26/93/345202693.db2.gz YKLYKJDYBHDIMH-CYBMUJFWSA-N 2 1 221.348 1.728 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635003467 345206263 /nfs/dbraw/zinc/20/62/63/345206263.db2.gz JWDQIMVGSMQFTE-HUUCEWRRSA-N 3 1 245.370 1.302 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008432 345216191 /nfs/dbraw/zinc/21/61/91/345216191.db2.gz UFMRDWNOASOIII-TUAOUCFPSA-N 3 1 227.396 1.480 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccncn1 ZINC000635013513 345218115 /nfs/dbraw/zinc/21/81/15/345218115.db2.gz YVHQEAKHBDNMAE-RYUDHWBXSA-N 2 1 248.374 1.905 20 0 BDADMP CCC[N@@H+](CCCCOC)C1CC[NH2+]CC1 ZINC000158528546 345345416 /nfs/dbraw/zinc/34/54/16/345345416.db2.gz PRYYNUYLRWHKPS-UHFFFAOYSA-N 2 1 228.380 1.877 20 0 BDADMP C[C@@H](CCn1cccn1)[NH2+]C1CC[NH+](C)CC1 ZINC000158586249 345352734 /nfs/dbraw/zinc/35/27/34/345352734.db2.gz OVYLEPJCSCLCTE-LBPRGKRZSA-N 2 1 236.363 1.346 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626115144 345328380 /nfs/dbraw/zinc/32/83/80/345328380.db2.gz HJIKIYRXWMFXJO-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626115144 345328383 /nfs/dbraw/zinc/32/83/83/345328383.db2.gz HJIKIYRXWMFXJO-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC2(CC2)CC1 ZINC000626115144 345328388 /nfs/dbraw/zinc/32/83/88/345328388.db2.gz HJIKIYRXWMFXJO-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000159749720 345510415 /nfs/dbraw/zinc/51/04/15/345510415.db2.gz NSOZGRRKODKTFW-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000159749720 345510417 /nfs/dbraw/zinc/51/04/17/345510417.db2.gz NSOZGRRKODKTFW-BETUJISGSA-N 2 1 217.316 1.041 20 0 BDADMP c1ccc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107572929 345536292 /nfs/dbraw/zinc/53/62/92/345536292.db2.gz ICDOWQIHFLZQNB-STQMWFEESA-N 2 1 232.327 1.217 20 0 BDADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000090846764 345576835 /nfs/dbraw/zinc/57/68/35/345576835.db2.gz IHSABZUOUVPOPD-ZFWWWQNUSA-N 2 1 247.386 1.862 20 0 BDADMP Nc1cnccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000641703922 362614087 /nfs/dbraw/zinc/61/40/87/362614087.db2.gz KKPYIFNQMSJBDF-UHFFFAOYSA-N 2 1 246.358 1.380 20 0 BDADMP Nc1cnccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000641707368 362615878 /nfs/dbraw/zinc/61/58/78/362615878.db2.gz KJJMMKWGQHCASL-LLVKDONJSA-N 2 1 246.358 1.238 20 0 BDADMP Nc1cnccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000641707368 362615883 /nfs/dbraw/zinc/61/58/83/362615883.db2.gz KJJMMKWGQHCASL-LLVKDONJSA-N 2 1 246.358 1.238 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNCc2cnc(C)o2)C1 ZINC000628210302 345811204 /nfs/dbraw/zinc/81/12/04/345811204.db2.gz PPNJTBIKWWMGOV-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP Cc1ncc(CNCC2=CC[N@@H+](C)CC2)o1 ZINC000628232422 346185204 /nfs/dbraw/zinc/18/52/04/346185204.db2.gz XVOLZTYFMKYBJS-UHFFFAOYSA-N 2 1 221.304 1.335 20 0 BDADMP Cc1ncc(C[NH2+]CC2=CC[N@@H+](C)CC2)o1 ZINC000628232422 346185209 /nfs/dbraw/zinc/18/52/09/346185209.db2.gz XVOLZTYFMKYBJS-UHFFFAOYSA-N 2 1 221.304 1.335 20 0 BDADMP Cc1c[nH]c(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000628280776 346291384 /nfs/dbraw/zinc/29/13/84/346291384.db2.gz HLQBPILMJQYUCU-CMPLNLGQSA-N 2 1 236.363 1.490 20 0 BDADMP CC/C=C/C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449460694 201933463 /nfs/dbraw/zinc/93/34/63/201933463.db2.gz RQQXVRMHGHCQCZ-SNAWJCMRSA-N 2 1 226.364 1.653 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000641797258 362743153 /nfs/dbraw/zinc/74/31/53/362743153.db2.gz ZMKOBKFDTWVPOF-VXGBXAGGSA-N 2 1 236.363 1.022 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798587 362745138 /nfs/dbraw/zinc/74/51/38/362745138.db2.gz JXHRPMVJFAUMLK-KBPBESRZSA-N 2 1 248.374 1.274 20 0 BDADMP Cn1cncc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641798965 362745992 /nfs/dbraw/zinc/74/59/92/362745992.db2.gz RTWNPMNIGWMLHC-FPMFFAJLSA-N 2 1 248.374 1.022 20 0 BDADMP Cn1cncc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000641798967 362747455 /nfs/dbraw/zinc/74/74/55/362747455.db2.gz RTWNPMNIGWMLHC-UBHSHLNASA-N 2 1 248.374 1.022 20 0 BDADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000641797021 362741578 /nfs/dbraw/zinc/74/15/78/362741578.db2.gz PTMYSKZESJBWCN-NSHDSACASA-N 2 1 237.347 1.716 20 0 BDADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000641797021 362741581 /nfs/dbraw/zinc/74/15/81/362741581.db2.gz PTMYSKZESJBWCN-NSHDSACASA-N 2 1 237.347 1.716 20 0 BDADMP CCCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803768 362761408 /nfs/dbraw/zinc/76/14/08/362761408.db2.gz HHDDOGBSNSFLFU-AXFHLTTASA-N 2 1 241.379 1.007 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000641805628 362763120 /nfs/dbraw/zinc/76/31/20/362763120.db2.gz FWSRSSLFMQDKSM-YRGRVCCFSA-N 2 1 239.407 1.434 20 0 BDADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)nc(C)n1 ZINC000641802222 362757629 /nfs/dbraw/zinc/75/76/29/362757629.db2.gz ZSKJIEKBGHHHNJ-NEPJUHHUSA-N 2 1 234.347 1.309 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1[C@@H](C)CCC1(C)C ZINC000577121815 365824991 /nfs/dbraw/zinc/82/49/91/365824991.db2.gz JFWNJTVFLLINHG-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H](C)CCC1(C)C ZINC000577121815 365824997 /nfs/dbraw/zinc/82/49/97/365824997.db2.gz JFWNJTVFLLINHG-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000577121815 365825001 /nfs/dbraw/zinc/82/50/01/365825001.db2.gz JFWNJTVFLLINHG-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000577121815 365825006 /nfs/dbraw/zinc/82/50/06/365825006.db2.gz JFWNJTVFLLINHG-NWDGAFQWSA-N 2 1 228.380 1.562 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)CCOC)C1 ZINC000053201879 346619723 /nfs/dbraw/zinc/61/97/23/346619723.db2.gz PVZLYEMVZZXACM-MNOVXSKESA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+]([C@H](C)CCOC)C1 ZINC000053201879 346619726 /nfs/dbraw/zinc/61/97/26/346619726.db2.gz PVZLYEMVZZXACM-MNOVXSKESA-N 2 1 200.326 1.095 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)COC)C1 ZINC000187387661 346572625 /nfs/dbraw/zinc/57/26/25/346572625.db2.gz OZZAPYVEVAEXSY-KGLIPLIRSA-N 2 1 242.407 1.933 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187387661 346572630 /nfs/dbraw/zinc/57/26/30/346572630.db2.gz OZZAPYVEVAEXSY-KGLIPLIRSA-N 2 1 242.407 1.933 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187387661 346572634 /nfs/dbraw/zinc/57/26/34/346572634.db2.gz OZZAPYVEVAEXSY-KGLIPLIRSA-N 2 1 242.407 1.933 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000187705699 346599994 /nfs/dbraw/zinc/59/99/94/346599994.db2.gz USMVYLLRWOPXOT-OLZOCXBDSA-N 2 1 228.380 1.590 20 0 BDADMP CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000310282706 323130017 /nfs/dbraw/zinc/13/00/17/323130017.db2.gz PVFSRJSHLZAVKI-TZMCWYRMSA-N 2 1 236.359 1.650 20 0 BDADMP CCn1ccnc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000577151622 365839120 /nfs/dbraw/zinc/83/91/20/365839120.db2.gz JKMOHSVFHGAPIZ-SNVBAGLBSA-N 2 1 245.330 1.273 20 0 BDADMP Cc1cccc(NCC2CC[NH+](CCO)CC2)[nH+]1 ZINC000354872784 179143850 /nfs/dbraw/zinc/14/38/50/179143850.db2.gz BUHNOVLKLDTBDQ-UHFFFAOYSA-N 2 1 249.358 1.506 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]1 ZINC000622004224 370653730 /nfs/dbraw/zinc/65/37/30/370653730.db2.gz MCEAGRRZZKZLQH-AAVRWANBSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)CC[NH2+]1 ZINC000622004224 370653735 /nfs/dbraw/zinc/65/37/35/370653735.db2.gz MCEAGRRZZKZLQH-AAVRWANBSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)CC[NH2+]1 ZINC000622004224 370653740 /nfs/dbraw/zinc/65/37/40/370653740.db2.gz MCEAGRRZZKZLQH-AAVRWANBSA-N 2 1 237.391 1.188 20 0 BDADMP Cc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)o1 ZINC000628295600 347228915 /nfs/dbraw/zinc/22/89/15/347228915.db2.gz CJYQPEUAJWTLCL-AWEZNQCLSA-N 2 1 249.358 1.901 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000380705458 347249486 /nfs/dbraw/zinc/24/94/86/347249486.db2.gz LVUYFVGNAASBBX-MFKMUULPSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000380705458 347249490 /nfs/dbraw/zinc/24/94/90/347249490.db2.gz LVUYFVGNAASBBX-MFKMUULPSA-N 2 1 219.332 1.702 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000397610205 347258060 /nfs/dbraw/zinc/25/80/60/347258060.db2.gz BTNNGNCRDUSMLR-RWMBFGLXSA-N 2 1 228.380 1.467 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000388251503 347266660 /nfs/dbraw/zinc/26/66/60/347266660.db2.gz WXNJAZXETYJUAF-WVWOOGAGSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000388251503 347266662 /nfs/dbraw/zinc/26/66/62/347266662.db2.gz WXNJAZXETYJUAF-WVWOOGAGSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)[C@@H]1C ZINC000380098826 365878807 /nfs/dbraw/zinc/87/88/07/365878807.db2.gz LBAZQCVOFADNTI-FOGDFJRCSA-N 2 1 207.321 1.597 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)O1 ZINC000149764764 347514203 /nfs/dbraw/zinc/51/42/03/347514203.db2.gz PYZBKLVKWMLOHC-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000252904863 347691958 /nfs/dbraw/zinc/69/19/58/347691958.db2.gz QYMYTJKSHAVKLF-SOUVJXGZSA-N 2 1 245.370 1.949 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccnn1C ZINC000401812004 348019220 /nfs/dbraw/zinc/01/92/20/348019220.db2.gz UWVNFEKVJQUZJH-SNVBAGLBSA-N 2 1 233.319 1.047 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cccnc1 ZINC000038076094 348048735 /nfs/dbraw/zinc/04/87/35/348048735.db2.gz TXOPMWSGHSPGMA-UHFFFAOYSA-N 2 1 233.359 1.903 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308710380 348101701 /nfs/dbraw/zinc/10/17/01/348101701.db2.gz NHRJWLLRJLWZEZ-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H](CC1CC1)[NH2+]CCc1c[nH+]cn1C ZINC000308838842 323179812 /nfs/dbraw/zinc/17/98/12/323179812.db2.gz JGOXSANCRAANCB-JTQLQIEISA-N 2 1 207.321 1.741 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000235786282 179375431 /nfs/dbraw/zinc/37/54/31/179375431.db2.gz KTGGMFQLHCNARZ-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP CC[N@H+](CCSC)C[C@@H](O)C[NH+](C)C(C)C ZINC000595570733 348284678 /nfs/dbraw/zinc/28/46/78/348284678.db2.gz YLMQMTKLBXDHBE-LBPRGKRZSA-N 2 1 248.436 1.372 20 0 BDADMP CC[N@@H+](CCSC)C[C@@H](O)C[NH+](C)C(C)C ZINC000595570733 348284680 /nfs/dbraw/zinc/28/46/80/348284680.db2.gz YLMQMTKLBXDHBE-LBPRGKRZSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](CCSC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000595570733 348284682 /nfs/dbraw/zinc/28/46/82/348284682.db2.gz YLMQMTKLBXDHBE-LBPRGKRZSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](CCSC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000595570733 348284685 /nfs/dbraw/zinc/28/46/85/348284685.db2.gz YLMQMTKLBXDHBE-LBPRGKRZSA-N 2 1 248.436 1.372 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000397485090 362888239 /nfs/dbraw/zinc/88/82/39/362888239.db2.gz UAKKSWCDRUVUSO-RFGFWPKPSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623489140 362914597 /nfs/dbraw/zinc/91/45/97/362914597.db2.gz RQLNNGXOVSBVNX-SRVKXCTJSA-N 2 1 228.380 1.608 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000308799833 348642643 /nfs/dbraw/zinc/64/26/43/348642643.db2.gz ADKTYLHLXNUKQC-WOPDTQHZSA-N 2 1 228.405 1.669 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000308797473 348643037 /nfs/dbraw/zinc/64/30/37/348643037.db2.gz CTZXBZPYMQQOLY-MNOVXSKESA-N 2 1 216.369 1.323 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(NCC[C@H](C)[NH3+])n1 ZINC000420162251 192166271 /nfs/dbraw/zinc/16/62/71/192166271.db2.gz XSKMDNXIMWMCGY-VIFPVBQESA-N 2 1 246.318 1.120 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1C ZINC000308861150 348908403 /nfs/dbraw/zinc/90/84/03/348908403.db2.gz PGSCAWCSSWOJDW-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000308922965 349128558 /nfs/dbraw/zinc/12/85/58/349128558.db2.gz CNQJUFANCFXQMU-JTQLQIEISA-N 2 1 200.301 1.549 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](C)O ZINC000251056466 349181553 /nfs/dbraw/zinc/18/15/53/349181553.db2.gz PMUKTVCCRSVHJA-KTCIRNNBSA-N 2 1 226.364 1.361 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](C)O ZINC000251056466 349181557 /nfs/dbraw/zinc/18/15/57/349181557.db2.gz PMUKTVCCRSVHJA-KTCIRNNBSA-N 2 1 226.364 1.361 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@@H+]2CCN(C)C[C@H]2CN)C1 ZINC000251746306 349188655 /nfs/dbraw/zinc/18/86/55/349188655.db2.gz JNIYBUIECVTBHO-HZSPNIEDSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CCC[C@H](C[N@H+]2CCN(C)C[C@H]2CN)C1 ZINC000251746306 349188657 /nfs/dbraw/zinc/18/86/57/349188657.db2.gz JNIYBUIECVTBHO-HZSPNIEDSA-N 2 1 239.407 1.387 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530221243 323218393 /nfs/dbraw/zinc/21/83/93/323218393.db2.gz PBJJWWVMUUZXHS-STQMWFEESA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000388592136 349204247 /nfs/dbraw/zinc/20/42/47/349204247.db2.gz MCOIMCSASINYPN-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000388592134 349204654 /nfs/dbraw/zinc/20/46/54/349204654.db2.gz MCOIMCSASINYPN-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000308996368 349267113 /nfs/dbraw/zinc/26/71/13/349267113.db2.gz JZQAAJPNBCEYBT-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000308996368 349267116 /nfs/dbraw/zinc/26/71/16/349267116.db2.gz JZQAAJPNBCEYBT-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000308996368 349267119 /nfs/dbraw/zinc/26/71/19/349267119.db2.gz JZQAAJPNBCEYBT-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000308996368 349267121 /nfs/dbraw/zinc/26/71/21/349267121.db2.gz JZQAAJPNBCEYBT-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000309193944 350166761 /nfs/dbraw/zinc/16/67/61/350166761.db2.gz CXZWEHAVMWVGAI-AGIUHOORSA-N 2 1 227.396 1.575 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422740631 192449658 /nfs/dbraw/zinc/44/96/58/192449658.db2.gz NWIXSOCALYTKQH-MGPQQGTHSA-N 2 1 234.343 1.844 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000309238423 350215931 /nfs/dbraw/zinc/21/59/31/350215931.db2.gz KBBAPYAOVDCDDN-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000309238423 350215935 /nfs/dbraw/zinc/21/59/35/350215935.db2.gz KBBAPYAOVDCDDN-AVGNSLFASA-N 2 1 226.364 1.031 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083527373 350234696 /nfs/dbraw/zinc/23/46/96/350234696.db2.gz DBHZOSFHPBCUEE-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCOCC1 ZINC000363459969 180232844 /nfs/dbraw/zinc/23/28/44/180232844.db2.gz UXNNKXMEPMPAQP-UHFFFAOYSA-N 2 1 237.347 1.694 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCOCC1 ZINC000363459969 180232847 /nfs/dbraw/zinc/23/28/47/180232847.db2.gz UXNNKXMEPMPAQP-UHFFFAOYSA-N 2 1 237.347 1.694 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083528258 350237526 /nfs/dbraw/zinc/23/75/26/350237526.db2.gz INDFFHNGVQBPEB-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cocn1 ZINC000192318111 180235182 /nfs/dbraw/zinc/23/51/82/180235182.db2.gz JKLNJDOTHUNMMD-UHFFFAOYSA-N 2 1 234.303 1.750 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccnn1C ZINC000338012489 180247739 /nfs/dbraw/zinc/24/77/39/180247739.db2.gz RIEJQCREGJNNFX-LLVKDONJSA-N 2 1 247.346 1.666 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)C(C)C ZINC000156331115 180247985 /nfs/dbraw/zinc/24/79/85/180247985.db2.gz RWKOJHGHAVHBTE-GFCCVEGCSA-N 2 1 225.336 1.188 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCOC1 ZINC000270642760 180248960 /nfs/dbraw/zinc/24/89/60/180248960.db2.gz JVYQALSJKMORPO-LBPRGKRZSA-N 2 1 223.320 1.160 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCOC1 ZINC000270642760 180248963 /nfs/dbraw/zinc/24/89/63/180248963.db2.gz JVYQALSJKMORPO-LBPRGKRZSA-N 2 1 223.320 1.160 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336615336 180251299 /nfs/dbraw/zinc/25/12/99/180251299.db2.gz MNAFTFLKZNZBBX-KBPBESRZSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336615336 180251300 /nfs/dbraw/zinc/25/13/00/180251300.db2.gz MNAFTFLKZNZBBX-KBPBESRZSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccoc1 ZINC000336690231 180251402 /nfs/dbraw/zinc/25/14/02/180251402.db2.gz AOCQBLILNVEHLI-UHFFFAOYSA-N 2 1 219.288 1.917 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccoc1 ZINC000336690231 180251403 /nfs/dbraw/zinc/25/14/03/180251403.db2.gz AOCQBLILNVEHLI-UHFFFAOYSA-N 2 1 219.288 1.917 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362087265 180240867 /nfs/dbraw/zinc/24/08/67/180240867.db2.gz LZGAEAIMVDQZAT-DGCLKSJQSA-N 2 1 237.347 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362087265 180240870 /nfs/dbraw/zinc/24/08/70/180240870.db2.gz LZGAEAIMVDQZAT-DGCLKSJQSA-N 2 1 237.347 1.142 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000336712653 180241895 /nfs/dbraw/zinc/24/18/95/180241895.db2.gz OFWDWMDEXRDKQG-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000336712653 180241896 /nfs/dbraw/zinc/24/18/96/180241896.db2.gz OFWDWMDEXRDKQG-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccn(C)n1 ZINC000264362188 180266237 /nfs/dbraw/zinc/26/62/37/180266237.db2.gz IZDDVCFYAVIRRI-LLVKDONJSA-N 2 1 247.346 1.351 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000427698877 191089431 /nfs/dbraw/zinc/08/94/31/191089431.db2.gz RDZWEZMITDSZFL-RKQHYHRCSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000427698877 191089433 /nfs/dbraw/zinc/08/94/33/191089433.db2.gz RDZWEZMITDSZFL-RKQHYHRCSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623535059 362954064 /nfs/dbraw/zinc/95/40/64/362954064.db2.gz LAPRSYQWWWNMRC-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000429184567 191100770 /nfs/dbraw/zinc/10/07/70/191100770.db2.gz QTDSIVZJKUYPMJ-ZDUSSCGKSA-N 2 1 243.395 1.208 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)S[C@H](C)C1 ZINC000309255421 323332177 /nfs/dbraw/zinc/33/21/77/323332177.db2.gz OCDLQVCQKJRSGM-UTUOFQBUSA-N 2 1 246.420 1.125 20 0 BDADMP CCN(C)C[C@H](O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000309255421 323332181 /nfs/dbraw/zinc/33/21/81/323332181.db2.gz OCDLQVCQKJRSGM-UTUOFQBUSA-N 2 1 246.420 1.125 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000069860942 350424109 /nfs/dbraw/zinc/42/41/09/350424109.db2.gz ATQXREDGOJREHP-ZYHUDNBSSA-N 2 1 212.337 1.238 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000310139839 180341056 /nfs/dbraw/zinc/34/10/56/180341056.db2.gz MSYOXTDUBZLUMA-JTQLQIEISA-N 2 1 238.379 1.324 20 0 BDADMP C([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000228556083 191105554 /nfs/dbraw/zinc/10/55/54/191105554.db2.gz RMEZHPMMNGDEKS-ZJUUUORDSA-N 2 1 200.351 1.081 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000163316023 350517207 /nfs/dbraw/zinc/51/72/07/350517207.db2.gz DLNCTJLCDZCIND-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000070597099 350544254 /nfs/dbraw/zinc/54/42/54/350544254.db2.gz QTCWFRKNSPQRHI-NSHDSACASA-N 2 1 228.336 1.143 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1CC[C@H]([NH3+])C1 ZINC000070597099 350544257 /nfs/dbraw/zinc/54/42/57/350544257.db2.gz QTCWFRKNSPQRHI-NSHDSACASA-N 2 1 228.336 1.143 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000226299241 350832064 /nfs/dbraw/zinc/83/20/64/350832064.db2.gz OXZVGLRKNDPZSZ-UHFFFAOYSA-N 2 1 236.363 1.620 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]CC[C@H]1CCOC1 ZINC000336676471 191124900 /nfs/dbraw/zinc/12/49/00/191124900.db2.gz PTXAJINLTMEDGW-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336688915 350964983 /nfs/dbraw/zinc/96/49/83/350964983.db2.gz VWZOYSMGDIHXLN-FRRDWIJNSA-N 2 1 228.380 1.466 20 0 BDADMP CCc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000577616948 366019536 /nfs/dbraw/zinc/01/95/36/366019536.db2.gz KKOPOAZDOBYLIM-HNNXBMFYSA-N 2 1 248.370 1.405 20 0 BDADMP CCc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000577616948 366019544 /nfs/dbraw/zinc/01/95/44/366019544.db2.gz KKOPOAZDOBYLIM-HNNXBMFYSA-N 2 1 248.370 1.405 20 0 BDADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)sn1 ZINC000404494228 351482115 /nfs/dbraw/zinc/48/21/15/351482115.db2.gz ZTVXNDXMVXQEPJ-QWRGUYRKSA-N 2 1 237.372 1.860 20 0 BDADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)sn1 ZINC000404494229 351482574 /nfs/dbraw/zinc/48/25/74/351482574.db2.gz ZTVXNDXMVXQEPJ-WDEREUQCSA-N 2 1 237.372 1.860 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252715727 538100745 /nfs/dbraw/zinc/10/07/45/538100745.db2.gz WNXPUIUVPOEQGQ-WISYIIOYSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252715727 538100747 /nfs/dbraw/zinc/10/07/47/538100747.db2.gz WNXPUIUVPOEQGQ-WISYIIOYSA-N 2 1 214.353 1.076 20 0 BDADMP COC(=O)[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H]1C ZINC000414764582 351700780 /nfs/dbraw/zinc/70/07/80/351700780.db2.gz YQLYWAOIPAFSGU-GRYCIOLGSA-N 2 1 242.363 1.243 20 0 BDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H]1C ZINC000414764582 351700782 /nfs/dbraw/zinc/70/07/82/351700782.db2.gz YQLYWAOIPAFSGU-GRYCIOLGSA-N 2 1 242.363 1.243 20 0 BDADMP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000178029807 366079594 /nfs/dbraw/zinc/07/95/94/366079594.db2.gz YEAVDVBCGMSAAH-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638077938 351950821 /nfs/dbraw/zinc/95/08/21/351950821.db2.gz YORPZGQNJUCWHN-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@@](C)(C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088383 351965394 /nfs/dbraw/zinc/96/53/94/351965394.db2.gz BIXSZMDRGAEGOJ-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@](C)(C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)OC ZINC000638088383 351965397 /nfs/dbraw/zinc/96/53/97/351965397.db2.gz BIXSZMDRGAEGOJ-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000638098112 351980164 /nfs/dbraw/zinc/98/01/64/351980164.db2.gz ZDVRVMINULJMSC-GFCCVEGCSA-N 2 1 243.395 1.206 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCOC1 ZINC000037141035 358468915 /nfs/dbraw/zinc/46/89/15/358468915.db2.gz QIRMSJFLXWNNEV-NSHDSACASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC2(O)CCC2)CC[N@@H+]1C ZINC000411116285 191160014 /nfs/dbraw/zinc/16/00/14/191160014.db2.gz RJEYHATXRRXAGB-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CCC2(O)CCC2)CC[N@H+]1C ZINC000411116285 191160016 /nfs/dbraw/zinc/16/00/16/191160016.db2.gz RJEYHATXRRXAGB-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2(O)CCC2)CC[NH+]1C ZINC000411116285 191160019 /nfs/dbraw/zinc/16/00/19/191160019.db2.gz RJEYHATXRRXAGB-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2(O)CCC2)CC[NH+]1C ZINC000411116285 191160022 /nfs/dbraw/zinc/16/00/22/191160022.db2.gz RJEYHATXRRXAGB-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638452418 352262980 /nfs/dbraw/zinc/26/29/80/352262980.db2.gz YXXQLEDBIUYAGS-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)COCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261536985 535176782 /nfs/dbraw/zinc/17/67/82/535176782.db2.gz ULLLLBHXCBDGJH-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP CO[C@@](C)(C[NH2+][C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000638496239 352312637 /nfs/dbraw/zinc/31/26/37/352312637.db2.gz QZUHNQUZSHQVHZ-OCCSQVGLSA-N 2 1 249.358 1.603 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]CCC[C@H]1CCO1 ZINC000638503267 352326051 /nfs/dbraw/zinc/32/60/51/352326051.db2.gz GWEDIPGNTOZLMW-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CCC[C@H]1CCO1 ZINC000638503267 352326053 /nfs/dbraw/zinc/32/60/53/352326053.db2.gz GWEDIPGNTOZLMW-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000414947065 352370755 /nfs/dbraw/zinc/37/07/55/352370755.db2.gz UITGRHJMEJWJGT-AAEUAGOBSA-N 2 1 206.333 1.945 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000638589099 352420730 /nfs/dbraw/zinc/42/07/30/352420730.db2.gz RDAIAHNSURRVBQ-DCAQKATOSA-N 2 1 232.318 1.962 20 0 BDADMP Cn1ccnc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336400800 180741520 /nfs/dbraw/zinc/74/15/20/180741520.db2.gz MYZPAJNWTCVDKC-ZDUSSCGKSA-N 2 1 248.374 1.242 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC(n3cccn3)C2)CC[N@@H+]1C ZINC000638706981 352543718 /nfs/dbraw/zinc/54/37/18/352543718.db2.gz HSKBIBKMSAQGDK-FEPKRQSRSA-N 2 1 248.374 1.659 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CC(n3cccn3)C2)CC[N@H+]1C ZINC000638706981 352543722 /nfs/dbraw/zinc/54/37/22/352543722.db2.gz HSKBIBKMSAQGDK-FEPKRQSRSA-N 2 1 248.374 1.659 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@]2(C)CCCOC2)CC1 ZINC000334188802 352778982 /nfs/dbraw/zinc/77/89/82/352778982.db2.gz JWXWRYWXTLIWCJ-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+]1C[C@H](C)N(Cc2cncn2C)C[C@H]1C ZINC000334198468 352790835 /nfs/dbraw/zinc/79/08/35/352790835.db2.gz LQBJYLXBDGWCJQ-NEPJUHHUSA-N 2 1 236.363 1.335 20 0 BDADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCO3)C2)C1 ZINC000334235411 352852356 /nfs/dbraw/zinc/85/23/56/352852356.db2.gz HAPWMTWYMUHVIK-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCCO3)C2)C1 ZINC000334235411 352852358 /nfs/dbraw/zinc/85/23/58/352852358.db2.gz HAPWMTWYMUHVIK-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)C[C@@H]1O ZINC000342870241 352883430 /nfs/dbraw/zinc/88/34/30/352883430.db2.gz BVFUQDOEGHOIBW-STQMWFEESA-N 2 1 237.347 1.284 20 0 BDADMP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@@H]1O ZINC000342870241 352883431 /nfs/dbraw/zinc/88/34/31/352883431.db2.gz BVFUQDOEGHOIBW-STQMWFEESA-N 2 1 237.347 1.284 20 0 BDADMP CO[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)CC(C)C ZINC000638839149 353016350 /nfs/dbraw/zinc/01/63/50/353016350.db2.gz YMZIKCVVPXGSHR-CQSZACIVSA-N 2 1 240.391 1.899 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000250452024 353272570 /nfs/dbraw/zinc/27/25/70/353272570.db2.gz ZQMLHPWTJQVSAR-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000250452024 353272572 /nfs/dbraw/zinc/27/25/72/353272572.db2.gz ZQMLHPWTJQVSAR-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP CC(C)C[C@H](CN[C@@H]1C[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000343272470 353295684 /nfs/dbraw/zinc/29/56/84/353295684.db2.gz UOOAWCPRKCQQJI-BFHYXJOUSA-N 2 1 241.423 1.502 20 0 BDADMP CC(C)C[C@H](CN[C@@H]1C[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000343272470 353295686 /nfs/dbraw/zinc/29/56/86/353295686.db2.gz UOOAWCPRKCQQJI-BFHYXJOUSA-N 2 1 241.423 1.502 20 0 BDADMP Cc1cn[nH]c1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000334509195 353407759 /nfs/dbraw/zinc/40/77/59/353407759.db2.gz STDVOYRFPJTVGD-JSGCOSHPSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cn[nH]c1CN1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000334509195 353407762 /nfs/dbraw/zinc/40/77/62/353407762.db2.gz STDVOYRFPJTVGD-JSGCOSHPSA-N 2 1 248.374 1.634 20 0 BDADMP C=Cn1cc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000194343282 353646136 /nfs/dbraw/zinc/64/61/36/353646136.db2.gz GTINMRVSFODGOO-UHFFFAOYSA-N 2 1 234.347 1.559 20 0 BDADMP Cc1cccnc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231461894 353605912 /nfs/dbraw/zinc/60/59/12/353605912.db2.gz LFWIBDJRZJPJCC-ZDUSSCGKSA-N 2 1 233.359 1.964 20 0 BDADMP Cc1cccnc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231461894 353605913 /nfs/dbraw/zinc/60/59/13/353605913.db2.gz LFWIBDJRZJPJCC-ZDUSSCGKSA-N 2 1 233.359 1.964 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCC[C@H]3CCO3)C[C@@H]2C1 ZINC000639113709 353707468 /nfs/dbraw/zinc/70/74/68/353707468.db2.gz SHRIOLSZTHUPQZ-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCC[C@H]3CCO3)C[C@@H]2C1 ZINC000639113709 353707471 /nfs/dbraw/zinc/70/74/71/353707471.db2.gz SHRIOLSZTHUPQZ-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCC[C@H]3CCO3)C[C@@H]2C1 ZINC000639113709 353707474 /nfs/dbraw/zinc/70/74/74/353707474.db2.gz SHRIOLSZTHUPQZ-XQQFMLRXSA-N 2 1 224.348 1.049 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000232663315 353752902 /nfs/dbraw/zinc/75/29/02/353752902.db2.gz WZMQNRNJXHMYAY-CYBMUJFWSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000343331330 353739075 /nfs/dbraw/zinc/73/90/75/353739075.db2.gz JALPIAKCJHIZNN-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)C[NH+]1CCCC1 ZINC000343331330 353739077 /nfs/dbraw/zinc/73/90/77/353739077.db2.gz JALPIAKCJHIZNN-MCIONIFRSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000334521775 353887922 /nfs/dbraw/zinc/88/79/22/353887922.db2.gz XQFJYWCPKHSCRJ-ZYGVAYEYSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000334521775 353887926 /nfs/dbraw/zinc/88/79/26/353887926.db2.gz XQFJYWCPKHSCRJ-ZYGVAYEYSA-N 2 1 214.328 1.807 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[NH+](CC)C[C@H]1C)C1CC1 ZINC000343916039 354040279 /nfs/dbraw/zinc/04/02/79/354040279.db2.gz PIOGHSZVLSSONU-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@H+](CC)C[C@H]1C)C1CC1 ZINC000343916039 354040282 /nfs/dbraw/zinc/04/02/82/354040282.db2.gz PIOGHSZVLSSONU-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@H]1C[N@@H+](CC)C[C@H]1C)C1CC1 ZINC000343916039 354040284 /nfs/dbraw/zinc/04/02/84/354040284.db2.gz PIOGHSZVLSSONU-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP CO[C@](C)(C[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000639168421 354073270 /nfs/dbraw/zinc/07/32/70/354073270.db2.gz UDUPPVHWYQNLCO-CYBMUJFWSA-N 2 1 228.380 1.685 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@H]2CCC[C@@H]21 ZINC000343980368 354057305 /nfs/dbraw/zinc/05/73/05/354057305.db2.gz IXZCQJASWFEMET-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C(C)C ZINC000344194193 354180397 /nfs/dbraw/zinc/18/03/97/354180397.db2.gz ZQTCUFYKQVFCTR-UHFFFAOYSA-N 2 1 241.423 1.744 20 0 BDADMP Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000334589746 354218643 /nfs/dbraw/zinc/21/86/43/354218643.db2.gz SFYHPJXZWSCGDQ-GXFFZTMASA-N 2 1 236.363 1.490 20 0 BDADMP Cc1n[nH]cc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000334589746 354218645 /nfs/dbraw/zinc/21/86/45/354218645.db2.gz SFYHPJXZWSCGDQ-GXFFZTMASA-N 2 1 236.363 1.490 20 0 BDADMP C[C@H]([NH3+])C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000334598694 354233818 /nfs/dbraw/zinc/23/38/18/354233818.db2.gz XIDAWGTWFTTZHA-WCQYABFASA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+]C1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334614815 354299891 /nfs/dbraw/zinc/29/98/91/354299891.db2.gz FVWDTWFLRFEINW-KPPDAEKUSA-N 3 1 247.333 1.091 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000577962643 366145641 /nfs/dbraw/zinc/14/56/41/366145641.db2.gz BLBDOAXZBVXRTA-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000349424435 366192384 /nfs/dbraw/zinc/19/23/84/366192384.db2.gz NJJJBTXYHAHHQX-QWHCGFSZSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1nccn1C ZINC000334768897 354590145 /nfs/dbraw/zinc/59/01/45/354590145.db2.gz NFRGLUNECRZRQE-NXEZZACHSA-N 2 1 245.330 1.351 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@H](C)c1ccccc1 ZINC000233516077 363403700 /nfs/dbraw/zinc/40/37/00/363403700.db2.gz XORQRWSPCJCQLV-LBPRGKRZSA-N 2 1 206.333 1.989 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@@H+]1C ZINC000639223102 354927323 /nfs/dbraw/zinc/92/73/23/354927323.db2.gz QWCBFYGWQITJKI-RNJOBUHISA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@H+]1C ZINC000639223102 354927328 /nfs/dbraw/zinc/92/73/28/354927328.db2.gz QWCBFYGWQITJKI-RNJOBUHISA-N 2 1 226.364 1.220 20 0 BDADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCF)[C@@H](C)C1 ZINC000346557827 354967522 /nfs/dbraw/zinc/96/75/22/354967522.db2.gz ITCLIZNYFYLSBD-STQMWFEESA-N 2 1 246.370 1.683 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCF)[C@@H](C)C1 ZINC000346557827 354967524 /nfs/dbraw/zinc/96/75/24/354967524.db2.gz ITCLIZNYFYLSBD-STQMWFEESA-N 2 1 246.370 1.683 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346685901 355011773 /nfs/dbraw/zinc/01/17/73/355011773.db2.gz QTHPLSZDBOYCKW-OLZOCXBDSA-N 3 1 227.396 1.291 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346685901 355011776 /nfs/dbraw/zinc/01/17/76/355011776.db2.gz QTHPLSZDBOYCKW-OLZOCXBDSA-N 3 1 227.396 1.291 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)CCO1 ZINC000346645628 355017163 /nfs/dbraw/zinc/01/71/63/355017163.db2.gz DZMNFRCXGUYGDQ-RFQIPJPRSA-N 2 1 240.391 1.861 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346694896 355076913 /nfs/dbraw/zinc/07/69/13/355076913.db2.gz WZPHNVZOLUYRCL-ZDUSSCGKSA-N 2 1 238.379 1.832 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346694896 355076916 /nfs/dbraw/zinc/07/69/16/355076916.db2.gz WZPHNVZOLUYRCL-ZDUSSCGKSA-N 2 1 238.379 1.832 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2[NH3+])s1 ZINC000335218833 355057943 /nfs/dbraw/zinc/05/79/43/355057943.db2.gz ORLLZVGIUPHWCS-UWVGGRQHSA-N 2 1 225.361 1.729 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346853503 355138881 /nfs/dbraw/zinc/13/88/81/355138881.db2.gz SSJUDUBRWRKZPU-UHTWSYAYSA-N 2 1 234.347 1.196 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000113516427 355233846 /nfs/dbraw/zinc/23/38/46/355233846.db2.gz MQKBAHHTLRKAHZ-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000412975579 191347273 /nfs/dbraw/zinc/34/72/73/191347273.db2.gz FYNJLTRXOKFZAH-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000412975579 191347275 /nfs/dbraw/zinc/34/72/75/191347275.db2.gz FYNJLTRXOKFZAH-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1CC2(C[N@H+]1Cc1ccnn1C)CC[NH2+]CC2 ZINC000335281766 355273102 /nfs/dbraw/zinc/27/31/02/355273102.db2.gz XFYHRGMBLIHFJU-LBPRGKRZSA-N 2 1 248.374 1.384 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000113514116 355250362 /nfs/dbraw/zinc/25/03/62/355250362.db2.gz FETVCOITLPFTLZ-LBPRGKRZSA-N 2 1 228.380 1.685 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639257310 355302852 /nfs/dbraw/zinc/30/28/52/355302852.db2.gz LVWDPJBLTOUEHB-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)OCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000228619159 355380037 /nfs/dbraw/zinc/38/00/37/355380037.db2.gz PLBBXHNVOYGOPQ-NWDGAFQWSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@H]1C[C@H](O)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000349854383 355497142 /nfs/dbraw/zinc/49/71/42/355497142.db2.gz OHMVNXVPRILKBR-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H](Cc1ccccc1)[NH2+]CC[NH2+]C ZINC000414832317 191592247 /nfs/dbraw/zinc/59/22/47/191592247.db2.gz QOWSWRJYBVVZKQ-CYBMUJFWSA-N 2 1 206.333 1.817 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](C)CC1CCOCC1 ZINC000414845084 191598380 /nfs/dbraw/zinc/59/83/80/191598380.db2.gz LNHGXYPHSPOWDP-NSHDSACASA-N 2 1 214.353 1.391 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCOC1)C1CCCC1 ZINC000415067823 191666656 /nfs/dbraw/zinc/66/66/56/191666656.db2.gz PXMQTESJLDMTEV-WCQYABFASA-N 2 1 226.364 1.520 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC)C1 ZINC000350181233 355621357 /nfs/dbraw/zinc/62/13/57/355621357.db2.gz MEFLMXGUKGKKIZ-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639345924 355792410 /nfs/dbraw/zinc/79/24/10/355792410.db2.gz CUHILIBAQKNLBX-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)(O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261545926 535292919 /nfs/dbraw/zinc/29/29/19/535292919.db2.gz GJWUQJAELZYUMH-QWHCGFSZSA-N 2 1 234.343 1.882 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CCO)CC1 ZINC000536609599 355844090 /nfs/dbraw/zinc/84/40/90/355844090.db2.gz VTOMVEKGRIPOOV-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCN(CC[NH2+]CC2(C)CC2)CC1(C)C ZINC000582220085 355953972 /nfs/dbraw/zinc/95/39/72/355953972.db2.gz GEMAZGSSYDMKMP-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000167103541 355958306 /nfs/dbraw/zinc/95/83/06/355958306.db2.gz VONMUADHCBEFLA-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP COC[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351227603 355964199 /nfs/dbraw/zinc/96/41/99/355964199.db2.gz OJUKDUVYSQSHTD-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351227603 355964202 /nfs/dbraw/zinc/96/42/02/355964202.db2.gz OJUKDUVYSQSHTD-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351227603 355964204 /nfs/dbraw/zinc/96/42/04/355964204.db2.gz OJUKDUVYSQSHTD-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncnc2[nH]ccc21 ZINC000351505827 356005029 /nfs/dbraw/zinc/00/50/29/356005029.db2.gz PYXKRKGXHVEZKX-NXEZZACHSA-N 2 1 245.330 1.487 20 0 BDADMP C[C@H](N)[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420264971 192191922 /nfs/dbraw/zinc/19/19/22/192191922.db2.gz AWIHKZYPRFVPJH-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420264971 192191924 /nfs/dbraw/zinc/19/19/24/192191924.db2.gz AWIHKZYPRFVPJH-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000420292055 192203689 /nfs/dbraw/zinc/20/36/89/192203689.db2.gz LFPLFVLWHJEFGY-ZDUSSCGKSA-N 2 1 233.359 1.740 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000420292055 192203691 /nfs/dbraw/zinc/20/36/91/192203691.db2.gz LFPLFVLWHJEFGY-ZDUSSCGKSA-N 2 1 233.359 1.740 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420295639 192203974 /nfs/dbraw/zinc/20/39/74/192203974.db2.gz VVRVTZAUYHREIJ-BFHYXJOUSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@@H+](CCCO)CC[C@@H]1CCC[NH2+]C1 ZINC000420299230 192204891 /nfs/dbraw/zinc/20/48/91/192204891.db2.gz IKUDYMOLJFLQLM-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000420296929 192205030 /nfs/dbraw/zinc/20/50/30/192205030.db2.gz XQWYQOWIZPLGQT-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP CC(C)[N@H+](CCc1cncn1C)C[C@@H](C)O ZINC000639481325 356296218 /nfs/dbraw/zinc/29/62/18/356296218.db2.gz AISJHUWMJUQYAC-LLVKDONJSA-N 2 1 225.336 1.054 20 0 BDADMP CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420272909 192197091 /nfs/dbraw/zinc/19/70/91/192197091.db2.gz MSSWYIPCAAEYPV-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420272909 192197092 /nfs/dbraw/zinc/19/70/92/192197092.db2.gz MSSWYIPCAAEYPV-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000336119420 134089715 /nfs/dbraw/zinc/08/97/15/134089715.db2.gz NPVWLSQENNORMR-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000420282632 192200058 /nfs/dbraw/zinc/20/00/58/192200058.db2.gz BTGKAHXMMKXQGV-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000420282632 192200059 /nfs/dbraw/zinc/20/00/59/192200059.db2.gz BTGKAHXMMKXQGV-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420287324 192201302 /nfs/dbraw/zinc/20/13/02/192201302.db2.gz GCMTUOYGTFLFIZ-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420287324 192201305 /nfs/dbraw/zinc/20/13/05/192201305.db2.gz GCMTUOYGTFLFIZ-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1CN ZINC000420289712 192202238 /nfs/dbraw/zinc/20/22/38/192202238.db2.gz KWGIPFUXGGLORH-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)[C@H]1C[NH3+] ZINC000420289712 192202241 /nfs/dbraw/zinc/20/22/41/192202241.db2.gz KWGIPFUXGGLORH-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP COc1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1 ZINC000420292619 192202693 /nfs/dbraw/zinc/20/26/93/192202693.db2.gz PRNJFHLKMMHCNK-AWEZNQCLSA-N 2 1 234.343 1.912 20 0 BDADMP CC[NH+](CC)CCCN1CCC([C@@H](C)[NH3+])CC1 ZINC000420292130 192203361 /nfs/dbraw/zinc/20/33/61/192203361.db2.gz LIAYPWNJKPNBJM-CYBMUJFWSA-N 2 1 241.423 1.778 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314802 192213298 /nfs/dbraw/zinc/21/32/98/192213298.db2.gz LLGPKOSZWHXOQP-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC1CC[NH2+]CC1 ZINC000420354961 192218936 /nfs/dbraw/zinc/21/89/36/192218936.db2.gz DSALTELSCYZDIT-LBPRGKRZSA-N 3 1 227.396 1.339 20 0 BDADMP FCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334896 192214712 /nfs/dbraw/zinc/21/47/12/192214712.db2.gz UNMGCEFZOYFNCG-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336759 192214999 /nfs/dbraw/zinc/21/49/99/192214999.db2.gz WGMZQMARHNKJHI-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420305231 192208955 /nfs/dbraw/zinc/20/89/55/192208955.db2.gz GHGIPWGGIIRKAF-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000420313006 192210169 /nfs/dbraw/zinc/21/01/69/192210169.db2.gz SZIKLNHMGNDQAT-REWJHTLYSA-N 3 1 237.391 1.045 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccncc3)C[C@@H]12 ZINC000420315700 192212375 /nfs/dbraw/zinc/21/23/75/192212375.db2.gz XGDXWIFVEGIEGX-RRFJBIMHSA-N 2 1 245.370 1.683 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000420314675 192212383 /nfs/dbraw/zinc/21/23/83/192212383.db2.gz WAVAWXIEZASFAC-REWJHTLYSA-N 3 1 237.391 1.045 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CCn1cccn1 ZINC000420314474 192212951 /nfs/dbraw/zinc/21/29/51/192212951.db2.gz KCAUFYOGFAXOTJ-CYBMUJFWSA-N 2 1 236.363 1.205 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@@H](CCOC)C1 ZINC000420369823 192228613 /nfs/dbraw/zinc/22/86/13/192228613.db2.gz JATZBBCVXIHRIK-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324982 192229528 /nfs/dbraw/zinc/22/95/28/192229528.db2.gz HTICSNMMVPMNRA-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420354989 192220834 /nfs/dbraw/zinc/22/08/34/192220834.db2.gz PDDDYQKKFQNGSZ-SCZZXKLOSA-N 2 1 244.285 1.277 20 0 BDADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420354989 192220837 /nfs/dbraw/zinc/22/08/37/192220837.db2.gz PDDDYQKKFQNGSZ-SCZZXKLOSA-N 2 1 244.285 1.277 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(N)c1 ZINC000420358697 192221892 /nfs/dbraw/zinc/22/18/92/192221892.db2.gz IYUBXCQSQWMCHB-GFCCVEGCSA-N 2 1 221.348 1.732 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000420361026 192222117 /nfs/dbraw/zinc/22/21/17/192222117.db2.gz XQDAWKPOXCWWBQ-AAEUAGOBSA-N 2 1 238.306 1.064 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420359970 192222647 /nfs/dbraw/zinc/22/26/47/192222647.db2.gz LITUJIATPWDDOS-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP COCCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420379609 192234090 /nfs/dbraw/zinc/23/40/90/192234090.db2.gz XSVXMIBCSHFCMQ-CYBMUJFWSA-N 2 1 228.380 1.910 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cncc(F)c1 ZINC000420402638 192238317 /nfs/dbraw/zinc/23/83/17/192238317.db2.gz KDCFPPDTZJNKBH-MNOVXSKESA-N 2 1 237.322 1.871 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420415237 192240996 /nfs/dbraw/zinc/24/09/96/192240996.db2.gz UXPKLMNDNVEQCX-NWDGAFQWSA-N 2 1 242.363 1.245 20 0 BDADMP CC[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000352676903 356402055 /nfs/dbraw/zinc/40/20/55/356402055.db2.gz VCQHGEUDAOXYIC-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000352676903 356402056 /nfs/dbraw/zinc/40/20/56/356402056.db2.gz VCQHGEUDAOXYIC-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000352676903 356402057 /nfs/dbraw/zinc/40/20/57/356402057.db2.gz VCQHGEUDAOXYIC-KBPBESRZSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@@H](C)[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377079 192231235 /nfs/dbraw/zinc/23/12/35/192231235.db2.gz RNYCDYNOYVAPPM-VXGBXAGGSA-N 2 1 242.363 1.260 20 0 BDADMP CCOCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420376312 192231416 /nfs/dbraw/zinc/23/14/16/192231416.db2.gz UZIPUIKKASYRBJ-ZDUSSCGKSA-N 2 1 228.380 1.910 20 0 BDADMP COCC[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420375782 192231428 /nfs/dbraw/zinc/23/14/28/192231428.db2.gz UMIDWCYVTHAVHO-NNYUYHANSA-N 2 1 214.353 1.388 20 0 BDADMP CCn1nccc1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420373671 192232433 /nfs/dbraw/zinc/23/24/33/192232433.db2.gz MVFIFIDDAJNWEJ-GFCCVEGCSA-N 2 1 236.363 1.334 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCCOC1 ZINC000352219042 134109016 /nfs/dbraw/zinc/10/90/16/134109016.db2.gz BIARZNGLEBWGGE-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCCOC1 ZINC000352219042 134109017 /nfs/dbraw/zinc/10/90/17/134109017.db2.gz BIARZNGLEBWGGE-LBPRGKRZSA-N 2 1 223.320 1.302 20 0 BDADMP Cc1cc(N[C@H](C)CC[NH+](C)C)nc(C)[nH+]1 ZINC000049558500 356481714 /nfs/dbraw/zinc/48/17/14/356481714.db2.gz SCRJAJBSPNYTAE-SECBINFHSA-N 2 1 222.336 1.846 20 0 BDADMP Cc1cc(N[C@@H](C)CC[NH+](C)C)nc(C)[nH+]1 ZINC000049558499 356482228 /nfs/dbraw/zinc/48/22/28/356482228.db2.gz SCRJAJBSPNYTAE-VIFPVBQESA-N 2 1 222.336 1.846 20 0 BDADMP CC[C@@]1([NH2+]CCc2c[nH+]cn2C)CCOC1 ZINC000639611202 356529486 /nfs/dbraw/zinc/52/94/86/356529486.db2.gz UTYQDLMKKLTSIB-GFCCVEGCSA-N 2 1 223.320 1.121 20 0 BDADMP Cc1nccn1CCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000421014927 192302868 /nfs/dbraw/zinc/30/28/68/192302868.db2.gz KUTYERRIHGCYSZ-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)CC[C@H]1C ZINC000421014927 192302871 /nfs/dbraw/zinc/30/28/71/192302871.db2.gz KUTYERRIHGCYSZ-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000421014927 192302873 /nfs/dbraw/zinc/30/28/73/192302873.db2.gz KUTYERRIHGCYSZ-DGCLKSJQSA-N 2 1 237.347 1.427 20 0 BDADMP C[C@H](F)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336198506 134127677 /nfs/dbraw/zinc/12/76/77/134127677.db2.gz SDYGZAHZGMHKSA-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@H](F)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336198506 134127678 /nfs/dbraw/zinc/12/76/78/134127678.db2.gz SDYGZAHZGMHKSA-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422979077 192514529 /nfs/dbraw/zinc/51/45/29/192514529.db2.gz LFFOJALJTORRPE-BFHYXJOUSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000639676532 356585414 /nfs/dbraw/zinc/58/54/14/356585414.db2.gz UHGQVMRICLYMSV-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706280 356614387 /nfs/dbraw/zinc/61/43/87/356614387.db2.gz XGVKOZFGKLQAFS-ZDUSSCGKSA-N 2 1 249.358 1.629 20 0 BDADMP CC(C)=CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423067254 192557500 /nfs/dbraw/zinc/55/75/00/192557500.db2.gz GRKYJDLBJXLQQP-MCIONIFRSA-N 2 1 238.375 1.699 20 0 BDADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCCOC3)C2)CC1 ZINC000639757396 356663674 /nfs/dbraw/zinc/66/36/74/356663674.db2.gz KUWQISLQGBGVPQ-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CCCF)C2)CC1 ZINC000639756942 356663779 /nfs/dbraw/zinc/66/37/79/356663779.db2.gz AOWTXKNCEDKUIO-UHFFFAOYSA-N 2 1 214.328 1.764 20 0 BDADMP CC(C)OCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757236 356663815 /nfs/dbraw/zinc/66/38/15/356663815.db2.gz JLBUKTLEWBWHKJ-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639761078 356675885 /nfs/dbraw/zinc/67/58/85/356675885.db2.gz CVSGYYNLXGBCTB-AGIUHOORSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761078 356675887 /nfs/dbraw/zinc/67/58/87/356675887.db2.gz CVSGYYNLXGBCTB-AGIUHOORSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761078 356675890 /nfs/dbraw/zinc/67/58/90/356675890.db2.gz CVSGYYNLXGBCTB-AGIUHOORSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000168021562 134155342 /nfs/dbraw/zinc/15/53/42/134155342.db2.gz ZLOVZKQVJMYLKU-QWRGUYRKSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C2CCCC2)C1 ZINC000639765962 356696982 /nfs/dbraw/zinc/69/69/82/356696982.db2.gz KWLLUZODFLZRDK-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+](C2CCCC2)C1 ZINC000639765962 356696986 /nfs/dbraw/zinc/69/69/86/356696986.db2.gz KWLLUZODFLZRDK-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000450402269 202156808 /nfs/dbraw/zinc/15/68/08/202156808.db2.gz KQJNNGFGAXAYCL-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358162354 356861881 /nfs/dbraw/zinc/86/18/81/356861881.db2.gz HLQFHDCJYRTPSV-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358162354 356861885 /nfs/dbraw/zinc/86/18/85/356861885.db2.gz HLQFHDCJYRTPSV-RDBSUJKOSA-N 2 1 240.391 1.611 20 0 BDADMP COCC1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423192839 192618108 /nfs/dbraw/zinc/61/81/08/192618108.db2.gz VAGDTYKMOVZZSO-ABXWRUBCSA-N 2 1 240.391 1.779 20 0 BDADMP Cc1cnc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000582295539 357028828 /nfs/dbraw/zinc/02/88/28/357028828.db2.gz WXBIOZIHZXAFAG-HTQZYQBOSA-N 2 1 213.350 1.667 20 0 BDADMP CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC)CCS1 ZINC000390587755 357102341 /nfs/dbraw/zinc/10/23/41/357102341.db2.gz RJJOPLMHXPVDEI-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[C@H](CSC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000390562822 357105244 /nfs/dbraw/zinc/10/52/44/357105244.db2.gz KWCNDXQQFRNKGK-ZYHUDNBSSA-N 2 1 246.420 1.173 20 0 BDADMP CC[C@H](CSC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390562822 357105247 /nfs/dbraw/zinc/10/52/47/357105247.db2.gz KWCNDXQQFRNKGK-ZYHUDNBSSA-N 2 1 246.420 1.173 20 0 BDADMP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223779077 357058695 /nfs/dbraw/zinc/05/86/95/357058695.db2.gz VUIWIJJROVPWOP-QJPTWQEYSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623403135 357066564 /nfs/dbraw/zinc/06/65/64/357066564.db2.gz LBBYITURGHCWDC-NWDGAFQWSA-N 2 1 227.396 1.399 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000390065924 357082379 /nfs/dbraw/zinc/08/23/79/357082379.db2.gz ZUYZTJVSICSXPV-JQWIXIFHSA-N 2 1 220.320 1.208 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000390065924 357082382 /nfs/dbraw/zinc/08/23/82/357082382.db2.gz ZUYZTJVSICSXPV-JQWIXIFHSA-N 2 1 220.320 1.208 20 0 BDADMP CC[C@@H](NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272074 192664778 /nfs/dbraw/zinc/66/47/78/192664778.db2.gz JQWOEWFHGFNGRR-MJBXVCDLSA-N 2 1 239.407 1.496 20 0 BDADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccncc1 ZINC000423281768 192674108 /nfs/dbraw/zinc/67/41/08/192674108.db2.gz BOQDTSGPLWIWKA-NSHDSACASA-N 2 1 207.321 1.860 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)CN1 ZINC000414769027 491110211 /nfs/dbraw/zinc/11/02/11/491110211.db2.gz VYZLEZRANQZNAA-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000414769027 491110214 /nfs/dbraw/zinc/11/02/14/491110214.db2.gz VYZLEZRANQZNAA-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](c1nc(C[NH3+])no1)[C@@H]([NH3+])c1ccccc1 ZINC000582486670 357318525 /nfs/dbraw/zinc/31/85/25/357318525.db2.gz OKUKQGSEXMLKQU-GZMMTYOYSA-N 2 1 232.287 1.332 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOC2)CC1(C)C ZINC000623408243 357404692 /nfs/dbraw/zinc/40/46/92/357404692.db2.gz OGXRKNXGAWXMSC-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](COC)C(C)C ZINC000423301503 192690794 /nfs/dbraw/zinc/69/07/94/192690794.db2.gz UBAIWGXLKPRYAV-NEPJUHHUSA-N 2 1 216.369 1.765 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000359016916 538848229 /nfs/dbraw/zinc/84/82/29/538848229.db2.gz UHQASYCJYSIFPN-WFASDCNBSA-N 2 1 247.386 1.862 20 0 BDADMP Cc1nccn1CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000230377446 357531425 /nfs/dbraw/zinc/53/14/25/357531425.db2.gz NSOHYWNHRSJGCG-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416253 357831914 /nfs/dbraw/zinc/83/19/14/357831914.db2.gz OKIUPOOPGULBGU-TZMCWYRMSA-N 2 1 242.407 2.000 20 0 BDADMP Cc1c[nH+]ccc1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000192567062 357844541 /nfs/dbraw/zinc/84/45/41/357844541.db2.gz YVUZRHFEEDRTNN-CHWSQXEVSA-N 2 1 249.358 1.911 20 0 BDADMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1C ZINC000193053125 357865783 /nfs/dbraw/zinc/86/57/83/357865783.db2.gz UXYHFYTUNLWIIR-AGUYFDCRSA-N 2 1 248.374 1.443 20 0 BDADMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1C ZINC000193053125 357865787 /nfs/dbraw/zinc/86/57/87/357865787.db2.gz UXYHFYTUNLWIIR-AGUYFDCRSA-N 2 1 248.374 1.443 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccnn1C ZINC000235545612 357878079 /nfs/dbraw/zinc/87/80/79/357878079.db2.gz UJNKEQFLEGLEBX-RWMBFGLXSA-N 2 1 248.374 1.698 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnn1C ZINC000235545612 357878083 /nfs/dbraw/zinc/87/80/83/357878083.db2.gz UJNKEQFLEGLEBX-RWMBFGLXSA-N 2 1 248.374 1.698 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ncccc1F ZINC000584463866 357980642 /nfs/dbraw/zinc/98/06/42/357980642.db2.gz MOEXOVQQAGKLIN-KOLCDFICSA-N 2 1 223.295 1.438 20 0 BDADMP COC[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982728 358026269 /nfs/dbraw/zinc/02/62/69/358026269.db2.gz STPAUCKBZOIXFP-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000168735191 134247645 /nfs/dbraw/zinc/24/76/45/134247645.db2.gz VICJBFCQPBVEEP-SNVBAGLBSA-N 2 1 225.361 1.683 20 0 BDADMP COC[C@@H](C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000584575579 358084182 /nfs/dbraw/zinc/08/41/82/358084182.db2.gz IIVHLAJBIIIVMD-STQMWFEESA-N 2 1 228.380 1.590 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000217840671 134250510 /nfs/dbraw/zinc/25/05/10/134250510.db2.gz CVHGVEFHNFIGBR-BFHYXJOUSA-N 2 1 241.423 1.824 20 0 BDADMP OCCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000171144760 134257191 /nfs/dbraw/zinc/25/71/91/134257191.db2.gz CBFMBPSGUTVHJR-UHFFFAOYSA-N 2 1 240.391 1.709 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(C)(F)CC1 ZINC000640071316 358161450 /nfs/dbraw/zinc/16/14/50/358161450.db2.gz JEOANYFJNYDVAT-LLVKDONJSA-N 2 1 232.343 1.123 20 0 BDADMP CCN(C)C[C@@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000640071316 358161452 /nfs/dbraw/zinc/16/14/52/358161452.db2.gz JEOANYFJNYDVAT-LLVKDONJSA-N 2 1 232.343 1.123 20 0 BDADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000584714659 358159987 /nfs/dbraw/zinc/15/99/87/358159987.db2.gz XCEHXZVMIWRQDO-RYUDHWBXSA-N 3 1 213.369 1.058 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000040620967 358243268 /nfs/dbraw/zinc/24/32/68/358243268.db2.gz STRXLTKSFOSKMO-NWDGAFQWSA-N 2 1 228.405 1.812 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+](C)CC2)C1 ZINC000040620889 358243422 /nfs/dbraw/zinc/24/34/22/358243422.db2.gz ZCZYSDZVIFKTOH-CYBMUJFWSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000040620889 358243426 /nfs/dbraw/zinc/24/34/26/358243426.db2.gz ZCZYSDZVIFKTOH-CYBMUJFWSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000040620889 358243430 /nfs/dbraw/zinc/24/34/30/358243430.db2.gz ZCZYSDZVIFKTOH-CYBMUJFWSA-N 2 1 239.407 1.401 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000045037689 358400151 /nfs/dbraw/zinc/40/01/51/358400151.db2.gz BMVLYLSTWRTXSL-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130647038 358638426 /nfs/dbraw/zinc/63/84/26/358638426.db2.gz UBIOBESAUSEZGJ-MRVWCRGKSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130647038 358638431 /nfs/dbraw/zinc/63/84/31/358638431.db2.gz UBIOBESAUSEZGJ-MRVWCRGKSA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+]C1CCN(Cc2cc(OC)cc(C)[nH+]2)CC1 ZINC000213945241 358748312 /nfs/dbraw/zinc/74/83/12/358748312.db2.gz AJONHYVSQDQRMZ-UHFFFAOYSA-N 2 1 249.358 1.582 20 0 BDADMP FCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000133289749 358750099 /nfs/dbraw/zinc/75/00/99/358750099.db2.gz FPOXFSJDVCITLK-GFCCVEGCSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH2+]C[C@@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000214074948 358753445 /nfs/dbraw/zinc/75/34/45/358753445.db2.gz VQMAVPUXJMHPEJ-LBPRGKRZSA-N 2 1 249.358 1.440 20 0 BDADMP CC[N@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000132265155 358714081 /nfs/dbraw/zinc/71/40/81/358714081.db2.gz CRMWKNYSUFOWRB-UHFFFAOYSA-N 2 1 239.407 1.500 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCCC1 ZINC000052337027 358780053 /nfs/dbraw/zinc/78/00/53/358780053.db2.gz JJIVZUIKLOOHGK-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP CCN1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403441 358967390 /nfs/dbraw/zinc/96/73/90/358967390.db2.gz KFHRKPBVUXIHDM-YPMHNXCESA-N 2 1 225.380 1.330 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403441 358967391 /nfs/dbraw/zinc/96/73/91/358967391.db2.gz KFHRKPBVUXIHDM-YPMHNXCESA-N 3 1 225.380 1.330 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)on1 ZINC000086403808 358968562 /nfs/dbraw/zinc/96/85/62/358968562.db2.gz ONIHXTBLRPIGGI-VHSXEESVSA-N 2 1 209.293 1.343 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070356998 359051487 /nfs/dbraw/zinc/05/14/87/359051487.db2.gz UVFMYKFGSFMWDN-AGIUHOORSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1c[nH+]ccc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000070489699 359057275 /nfs/dbraw/zinc/05/72/75/359057275.db2.gz OSXSRSPJZOTQFX-GFCCVEGCSA-N 2 1 234.347 1.048 20 0 BDADMP Cc1c[nH+]ccc1NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000070489699 359057284 /nfs/dbraw/zinc/05/72/84/359057284.db2.gz OSXSRSPJZOTQFX-GFCCVEGCSA-N 2 1 234.347 1.048 20 0 BDADMP Cc1c[nH+]ccc1NC[C@@H]1CN(C)CC[N@H+]1C ZINC000070489699 359057286 /nfs/dbraw/zinc/05/72/86/359057286.db2.gz OSXSRSPJZOTQFX-GFCCVEGCSA-N 2 1 234.347 1.048 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246858819 359171226 /nfs/dbraw/zinc/17/12/26/359171226.db2.gz CWSZBOKVOFBBDZ-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000247452551 359222621 /nfs/dbraw/zinc/22/26/21/359222621.db2.gz ZXVPRCBYUXMDRZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000247452551 359222624 /nfs/dbraw/zinc/22/26/24/359222624.db2.gz ZXVPRCBYUXMDRZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000247452551 359222629 /nfs/dbraw/zinc/22/26/29/359222629.db2.gz ZXVPRCBYUXMDRZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCCO1 ZINC000247452551 359222632 /nfs/dbraw/zinc/22/26/32/359222632.db2.gz ZXVPRCBYUXMDRZ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC1(C)C ZINC000623451890 359348325 /nfs/dbraw/zinc/34/83/25/359348325.db2.gz OOWWMAXRLKTPIR-YNEHKIRRSA-N 2 1 238.375 1.386 20 0 BDADMP CC[NH+](CC)CCC[NH2+]CC1(F)CC1 ZINC000379594430 359558695 /nfs/dbraw/zinc/55/86/95/359558695.db2.gz CSRKPWBPRCPHSF-UHFFFAOYSA-N 2 1 202.317 1.810 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCCC[C@H]1O ZINC000578368213 366541271 /nfs/dbraw/zinc/54/12/71/366541271.db2.gz HCHKBWQLYJREFB-UTUOFQBUSA-N 2 1 228.380 1.501 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C1CC1)C1COC1 ZINC000451126205 202361735 /nfs/dbraw/zinc/36/17/35/202361735.db2.gz QMCMZYSGDJMMIZ-UHFFFAOYSA-N 2 1 235.331 1.445 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C1CC1)C1COC1 ZINC000451126205 202361739 /nfs/dbraw/zinc/36/17/39/202361739.db2.gz QMCMZYSGDJMMIZ-UHFFFAOYSA-N 2 1 235.331 1.445 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2nccs2)CC1 ZINC000087393701 359911498 /nfs/dbraw/zinc/91/14/98/359911498.db2.gz CXPYYOVEIVXQNE-UHFFFAOYSA-N 2 1 239.388 1.965 20 0 BDADMP CCN(CC[C@H]1CCC[N@H+]1C)C1COC1 ZINC000451281839 202395624 /nfs/dbraw/zinc/39/56/24/202395624.db2.gz ANMCJRSEEVCKRH-LLVKDONJSA-N 2 1 212.337 1.191 20 0 BDADMP CC[N@@H+](Cc1ccccc1)C[C@](C)(O)C[NH2+]C ZINC000578899385 366670932 /nfs/dbraw/zinc/67/09/32/366670932.db2.gz SZLGGSZSGDRPDD-CQSZACIVSA-N 2 1 236.359 1.479 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089145876 359992872 /nfs/dbraw/zinc/99/28/72/359992872.db2.gz NMLNSYMOHIXTPH-OUCADQQQSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089145876 359992875 /nfs/dbraw/zinc/99/28/75/359992875.db2.gz NMLNSYMOHIXTPH-OUCADQQQSA-N 2 1 237.391 1.330 20 0 BDADMP CN(Cc1ccn(C)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253580 360159112 /nfs/dbraw/zinc/15/91/12/360159112.db2.gz OYCRWAFDYDHCKA-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000092253580 360159123 /nfs/dbraw/zinc/15/91/23/360159123.db2.gz OYCRWAFDYDHCKA-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP Cn1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000092253580 360159126 /nfs/dbraw/zinc/15/91/26/360159126.db2.gz OYCRWAFDYDHCKA-CYBMUJFWSA-N 2 1 235.375 1.799 20 0 BDADMP CC(C)CNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874141 360286086 /nfs/dbraw/zinc/28/60/86/360286086.db2.gz AQFRLKLRGLBTIB-LLVKDONJSA-N 2 1 243.395 1.064 20 0 BDADMP CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874141 360286089 /nfs/dbraw/zinc/28/60/89/360286089.db2.gz AQFRLKLRGLBTIB-LLVKDONJSA-N 2 1 243.395 1.064 20 0 BDADMP CCC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000631199384 360764633 /nfs/dbraw/zinc/76/46/33/360764633.db2.gz PUZFNLWDLAMSAG-OLZOCXBDSA-N 2 1 242.407 2.000 20 0 BDADMP CC(C)C[C@H](N)C[NH2+][C@H](C)CCCC[NH3+] ZINC000415011684 200790865 /nfs/dbraw/zinc/79/08/65/200790865.db2.gz HUZMQFIRQDZCED-NEPJUHHUSA-N 2 1 215.385 1.467 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000414847181 219882276 /nfs/dbraw/zinc/88/22/76/219882276.db2.gz VKKWQDJSMHKLQA-SECBINFHSA-N 2 1 228.286 1.910 20 0 BDADMP [NH3+]C1(C[NH2+]C/C=C/c2ccccc2)CCOCC1 ZINC000629388357 361041338 /nfs/dbraw/zinc/04/13/38/361041338.db2.gz SYWKNHOIMRVQEM-QPJJXVBHSA-N 2 1 246.354 1.797 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629507243 361106276 /nfs/dbraw/zinc/10/62/76/361106276.db2.gz AVAOPDNTQNQSGO-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccnc2N)C1 ZINC000629510431 361108922 /nfs/dbraw/zinc/10/89/22/361108922.db2.gz UEUMJKRISWOYFG-GHMZBOCLSA-N 2 1 234.347 1.223 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000629510431 361108925 /nfs/dbraw/zinc/10/89/25/361108925.db2.gz UEUMJKRISWOYFG-GHMZBOCLSA-N 2 1 234.347 1.223 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629527742 361134302 /nfs/dbraw/zinc/13/43/02/361134302.db2.gz DMIOGUYHPYTSIX-PWSUYJOCSA-N 2 1 234.347 1.223 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccnc2N)CC[C@@H]1[NH3+] ZINC000629527742 361134304 /nfs/dbraw/zinc/13/43/04/361134304.db2.gz DMIOGUYHPYTSIX-PWSUYJOCSA-N 2 1 234.347 1.223 20 0 BDADMP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccncc1 ZINC000629522325 361123094 /nfs/dbraw/zinc/12/30/94/361123094.db2.gz ZUFCNUPPHZTQJW-ZDUSSCGKSA-N 2 1 249.358 1.630 20 0 BDADMP CC(C)CC[C@@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000629524571 361124735 /nfs/dbraw/zinc/12/47/35/361124735.db2.gz SSJWWGJOZXRLDB-AGIUHOORSA-N 2 1 228.380 1.514 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)CCS1 ZINC000158592275 361205519 /nfs/dbraw/zinc/20/55/19/361205519.db2.gz RPAOUPHJIWVZEA-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000158911575 361214613 /nfs/dbraw/zinc/21/46/13/361214613.db2.gz GUAFHDFOOHVJFA-RYUDHWBXSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000158911438 361215489 /nfs/dbraw/zinc/21/54/89/361215489.db2.gz GUAFHDFOOHVJFA-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP CCCCOCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429022528 201061158 /nfs/dbraw/zinc/06/11/58/201061158.db2.gz BVSMMQPPXNMJPJ-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCCCOCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429022528 201061160 /nfs/dbraw/zinc/06/11/60/201061160.db2.gz BVSMMQPPXNMJPJ-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP CCCCOCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429022528 201061164 /nfs/dbraw/zinc/06/11/64/201061164.db2.gz BVSMMQPPXNMJPJ-AWEZNQCLSA-N 2 1 240.391 1.831 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1(CO)CCC1 ZINC000429229538 201080398 /nfs/dbraw/zinc/08/03/98/201080398.db2.gz HWRGKRARKMIICR-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C1(CO)CCC1 ZINC000429229538 201080400 /nfs/dbraw/zinc/08/04/00/201080400.db2.gz HWRGKRARKMIICR-UHFFFAOYSA-N 2 1 237.347 1.428 20 0 BDADMP CCC[C@@H](C)CCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000629539182 361404729 /nfs/dbraw/zinc/40/47/29/361404729.db2.gz VPESFBSPBNNEGB-VXGBXAGGSA-N 2 1 216.369 1.454 20 0 BDADMP CCC[C@@H](C)[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000579363970 366771698 /nfs/dbraw/zinc/77/16/98/366771698.db2.gz NNTHQUISDPFTPX-OCCSQVGLSA-N 2 1 242.407 1.857 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535262 361410132 /nfs/dbraw/zinc/41/01/32/361410132.db2.gz CWNJVRCRXSCVTI-LMLFDSFASA-N 2 1 200.326 1.140 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000629535336 361409845 /nfs/dbraw/zinc/40/98/45/361409845.db2.gz FSPNDVDMESRNCL-CYBMUJFWSA-N 2 1 233.359 1.868 20 0 BDADMP CCO[C@H](C[N@H+](C)CC(C)(C)[NH3+])C1CC1 ZINC000629546952 361429627 /nfs/dbraw/zinc/42/96/27/361429627.db2.gz RHIWOBLYICMEGY-LLVKDONJSA-N 2 1 214.353 1.471 20 0 BDADMP CCO[C@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CC1 ZINC000629546952 361429634 /nfs/dbraw/zinc/42/96/34/361429634.db2.gz RHIWOBLYICMEGY-LLVKDONJSA-N 2 1 214.353 1.471 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCC2 ZINC000629553549 361438833 /nfs/dbraw/zinc/43/88/33/361438833.db2.gz XUVFNLYPMKQYQT-UTUOFQBUSA-N 2 1 224.348 1.286 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](C)CC(C)C ZINC000629572475 361463735 /nfs/dbraw/zinc/46/37/35/361463735.db2.gz ULKYGXYFPTWWCH-CYBMUJFWSA-N 2 1 230.396 1.836 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCC1CCCC1 ZINC000629571879 361463770 /nfs/dbraw/zinc/46/37/70/361463770.db2.gz RYGLZGLEOUDENN-UHFFFAOYSA-N 2 1 228.380 1.735 20 0 BDADMP C[N@H+](CCOCC[NH3+])Cc1sccc1Cl ZINC000629576821 361467671 /nfs/dbraw/zinc/46/76/71/361467671.db2.gz DEGNXTURPZSEPO-UHFFFAOYSA-N 2 1 248.779 1.809 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1sccc1Cl ZINC000629576821 361467673 /nfs/dbraw/zinc/46/76/73/361467673.db2.gz DEGNXTURPZSEPO-UHFFFAOYSA-N 2 1 248.779 1.809 20 0 BDADMP C[N@@H+](CCC[NH3+])CC1=Cc2ccccc2OC1 ZINC000629651980 361558044 /nfs/dbraw/zinc/55/80/44/361558044.db2.gz RMVRJYNAFNMVKO-UHFFFAOYSA-N 2 1 232.327 1.743 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629647552 361538057 /nfs/dbraw/zinc/53/80/57/361538057.db2.gz ZEPWVRTZKWQOJP-PWSUYJOCSA-N 2 1 207.321 1.194 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000629647868 361538999 /nfs/dbraw/zinc/53/89/99/361538999.db2.gz CLRJOWFUGDYPSK-AWEZNQCLSA-N 2 1 233.359 1.997 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]CC1=CCCOC1 ZINC000629648185 361540464 /nfs/dbraw/zinc/54/04/64/361540464.db2.gz QXJHJTFBOHJNML-LBPRGKRZSA-N 2 1 212.337 1.296 20 0 BDADMP C[C@@H]1CCC[N@H+](CC2=CCCOC2)[C@H]1C[NH3+] ZINC000629652090 361549406 /nfs/dbraw/zinc/54/94/06/361549406.db2.gz VUJWULKDGHDBMQ-YPMHNXCESA-N 2 1 224.348 1.392 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2=CCCOC2)[C@H]1C[NH3+] ZINC000629652090 361549408 /nfs/dbraw/zinc/54/94/08/361549408.db2.gz VUJWULKDGHDBMQ-YPMHNXCESA-N 2 1 224.348 1.392 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccsc1 ZINC000629652548 361551158 /nfs/dbraw/zinc/55/11/58/361551158.db2.gz GWIGYXPHKLKRJS-UHFFFAOYSA-N 2 1 228.361 1.416 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC2=CCCOC2)C1 ZINC000629652855 361551731 /nfs/dbraw/zinc/55/17/31/361551731.db2.gz DWOKJBXAWFPNSM-GFCCVEGCSA-N 2 1 210.321 1.004 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]C1 ZINC000629661856 361594690 /nfs/dbraw/zinc/59/46/90/361594690.db2.gz CYIKFPXLPXGARP-BFHYXJOUSA-N 2 1 238.375 1.080 20 0 BDADMP C[C@@]1(C[N@@H+]2CCc3c(O)cccc3C2)CC[NH2+]C1 ZINC000629661397 361594948 /nfs/dbraw/zinc/59/49/48/361594948.db2.gz BSOPDMJJDULCRF-OAHLLOKOSA-N 2 1 246.354 1.750 20 0 BDADMP C[C@@]1(C[N@H+]2CCc3c(O)cccc3C2)CC[NH2+]C1 ZINC000629661397 361594952 /nfs/dbraw/zinc/59/49/52/361594952.db2.gz BSOPDMJJDULCRF-OAHLLOKOSA-N 2 1 246.354 1.750 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000153730651 201247973 /nfs/dbraw/zinc/24/79/73/201247973.db2.gz HPJDMHYVFBPBOM-QWHCGFSZSA-N 2 1 230.396 1.979 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)C ZINC000153778772 201250385 /nfs/dbraw/zinc/25/03/85/201250385.db2.gz QJEGBZODRWWAPN-GFCCVEGCSA-N 2 1 230.396 1.979 20 0 BDADMP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000435376333 201266517 /nfs/dbraw/zinc/26/65/17/201266517.db2.gz QSTXYWQUMAWRRG-OCCSQVGLSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000435376333 201266521 /nfs/dbraw/zinc/26/65/21/201266521.db2.gz QSTXYWQUMAWRRG-OCCSQVGLSA-N 2 1 218.344 1.898 20 0 BDADMP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000435395512 201267612 /nfs/dbraw/zinc/26/76/12/201267612.db2.gz TUTIHUOZBYKCQA-KBPBESRZSA-N 3 1 239.407 1.450 20 0 BDADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000435395512 201267615 /nfs/dbraw/zinc/26/76/15/201267615.db2.gz TUTIHUOZBYKCQA-KBPBESRZSA-N 3 1 239.407 1.450 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154366938 201276046 /nfs/dbraw/zinc/27/60/46/201276046.db2.gz SIKDHWWZLLEDGZ-RYUDHWBXSA-N 2 1 216.369 1.467 20 0 BDADMP [NH3+]C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250832570 181342209 /nfs/dbraw/zinc/34/22/09/181342209.db2.gz JQGWLUJHJUMXGQ-CLRIEMFWSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+]C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250832570 181342211 /nfs/dbraw/zinc/34/22/11/181342211.db2.gz JQGWLUJHJUMXGQ-CLRIEMFWSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2C)CC[N@H+]1C ZINC000154518166 201282117 /nfs/dbraw/zinc/28/21/17/201282117.db2.gz AJSCCWPJWGCKSV-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C ZINC000154518166 201282121 /nfs/dbraw/zinc/28/21/21/201282121.db2.gz AJSCCWPJWGCKSV-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000154518166 201282123 /nfs/dbraw/zinc/28/21/23/201282123.db2.gz AJSCCWPJWGCKSV-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CC[N@@H+]1C ZINC000154518166 201282127 /nfs/dbraw/zinc/28/21/27/201282127.db2.gz AJSCCWPJWGCKSV-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CC[N@H+]1C ZINC000154518166 201282130 /nfs/dbraw/zinc/28/21/30/201282130.db2.gz AJSCCWPJWGCKSV-UPJWGTAASA-N 2 1 225.380 1.153 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000435884476 201296229 /nfs/dbraw/zinc/29/62/29/201296229.db2.gz SUNAWMBFEHGZCO-AWEZNQCLSA-N 2 1 233.359 1.782 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CCC[NH2+]C)[C@H](C)C1 ZINC000435881904 201294384 /nfs/dbraw/zinc/29/43/84/201294384.db2.gz WNMPXXJPTYCTDH-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCF ZINC000437241843 201348553 /nfs/dbraw/zinc/34/85/53/201348553.db2.gz ASSUGBTZZGKQLK-UHFFFAOYSA-N 2 1 234.278 1.635 20 0 BDADMP CC[C@@H](C[NH2+]CC[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000438075690 201385054 /nfs/dbraw/zinc/38/50/54/201385054.db2.gz GCYVNCGTZGGKOU-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP O=c1[nH]cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623777752 363891182 /nfs/dbraw/zinc/89/11/82/363891182.db2.gz PTLZUADNEAWOOQ-OLZOCXBDSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1[nH]cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623777752 363891188 /nfs/dbraw/zinc/89/11/88/363891188.db2.gz PTLZUADNEAWOOQ-OLZOCXBDSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1[nH]cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623777751 363891613 /nfs/dbraw/zinc/89/16/13/363891613.db2.gz PTLZUADNEAWOOQ-CHWSQXEVSA-N 2 1 247.342 1.504 20 0 BDADMP O=c1[nH]cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623777751 363891616 /nfs/dbraw/zinc/89/16/16/363891616.db2.gz PTLZUADNEAWOOQ-CHWSQXEVSA-N 2 1 247.342 1.504 20 0 BDADMP CC[C@@H](COC)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453416368 202769115 /nfs/dbraw/zinc/76/91/15/202769115.db2.gz XKJRVIGGYGWBML-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000328519219 364863247 /nfs/dbraw/zinc/86/32/47/364863247.db2.gz QVPVSISZOUKZPM-REWJHTLYSA-N 2 1 238.375 1.221 20 0 BDADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000328519219 364863254 /nfs/dbraw/zinc/86/32/54/364863254.db2.gz QVPVSISZOUKZPM-REWJHTLYSA-N 2 1 238.375 1.221 20 0 BDADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1CCOC1 ZINC000352494864 181379347 /nfs/dbraw/zinc/37/93/47/181379347.db2.gz GINFMPPKQVZSPZ-CQSZACIVSA-N 2 1 240.391 1.864 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000574069897 364981409 /nfs/dbraw/zinc/98/14/09/364981409.db2.gz AZGBVNOVXQKRQN-KGLIPLIRSA-N 3 1 241.423 1.886 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)nc1 ZINC000168835028 365017614 /nfs/dbraw/zinc/01/76/14/365017614.db2.gz BKKGLUXPCKBNQH-RYUDHWBXSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)nc1 ZINC000168835028 365017619 /nfs/dbraw/zinc/01/76/19/365017619.db2.gz BKKGLUXPCKBNQH-RYUDHWBXSA-N 2 1 219.332 1.702 20 0 BDADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCO2)CC1 ZINC000574335964 365039552 /nfs/dbraw/zinc/03/95/52/365039552.db2.gz AEOMGAAJNPDSPX-UHFFFAOYSA-N 2 1 249.358 1.608 20 0 BDADMP [NH3+]CC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000042428201 181390650 /nfs/dbraw/zinc/39/06/50/181390650.db2.gz VXHUDFOVGYEFBB-GFCCVEGCSA-N 2 1 212.337 1.369 20 0 BDADMP [NH3+]CC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000042428201 181390652 /nfs/dbraw/zinc/39/06/52/181390652.db2.gz VXHUDFOVGYEFBB-GFCCVEGCSA-N 2 1 212.337 1.369 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000574629976 365105432 /nfs/dbraw/zinc/10/54/32/365105432.db2.gz KZAVSVOWESWJJI-LBPRGKRZSA-N 2 1 224.352 1.460 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@H]2CCCC[C@@H]12 ZINC000574811306 365145548 /nfs/dbraw/zinc/14/55/48/365145548.db2.gz GXXSCERLXBWQHL-RDBSUJKOSA-N 2 1 240.391 1.862 20 0 BDADMP CC[C@@H]1C[N@@H+](C)CCN1CC[C@@H]1CCC[NH+]1C ZINC000574807133 365147383 /nfs/dbraw/zinc/14/73/83/365147383.db2.gz PMAJDCLDVZDZIC-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@@H]1C[NH+](C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000574807133 365147387 /nfs/dbraw/zinc/14/73/87/365147387.db2.gz PMAJDCLDVZDZIC-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000574811296 365149216 /nfs/dbraw/zinc/14/92/16/365149216.db2.gz GXXSCERLXBWQHL-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000575243501 365268237 /nfs/dbraw/zinc/26/82/37/365268237.db2.gz ANUQXCLPVPKKND-LMLFDSFASA-N 2 1 206.289 1.605 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000575854861 365385454 /nfs/dbraw/zinc/38/54/54/365385454.db2.gz PIGYEJMZZINQBM-UHFFFAOYSA-N 2 1 248.374 1.682 20 0 BDADMP C[C@@H]1OCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000380534395 367231652 /nfs/dbraw/zinc/23/16/52/367231652.db2.gz MXDOHBTWURBMOE-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP Cc1[nH+]cn(C[C@@H](O)C[N@@H+](C)C(C)C)c1C ZINC000381076750 367349043 /nfs/dbraw/zinc/34/90/43/367349043.db2.gz QGRHGXKJRCKCCS-LBPRGKRZSA-N 2 1 225.336 1.201 20 0 BDADMP Cc1[nH+]cn(C[C@@H](O)C[N@H+](C)C(C)C)c1C ZINC000381076750 367349047 /nfs/dbraw/zinc/34/90/47/367349047.db2.gz QGRHGXKJRCKCCS-LBPRGKRZSA-N 2 1 225.336 1.201 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@H](O)CN(C)CC ZINC000381090975 367350245 /nfs/dbraw/zinc/35/02/45/367350245.db2.gz VCWPMAWRHJOMDV-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000381090975 367350248 /nfs/dbraw/zinc/35/02/48/367350248.db2.gz VCWPMAWRHJOMDV-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000381090975 367350252 /nfs/dbraw/zinc/35/02/52/367350252.db2.gz VCWPMAWRHJOMDV-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000381090975 367350256 /nfs/dbraw/zinc/35/02/56/367350256.db2.gz VCWPMAWRHJOMDV-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000381090975 367350259 /nfs/dbraw/zinc/35/02/59/367350259.db2.gz VCWPMAWRHJOMDV-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCCNCc1c[nH+]c(C)n1C ZINC000581262026 367313211 /nfs/dbraw/zinc/31/32/11/367313211.db2.gz XQOMRYKDRGPMAC-UHFFFAOYSA-N 2 1 238.379 1.550 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000382842649 367564060 /nfs/dbraw/zinc/56/40/60/367564060.db2.gz WUNCLMALACLXMJ-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C)CC1 ZINC000581613088 367634561 /nfs/dbraw/zinc/63/45/61/367634561.db2.gz QZUZEFKHISEELV-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)O[C@H]1C ZINC000384925799 367758655 /nfs/dbraw/zinc/75/86/55/367758655.db2.gz PRTFOQPPMZWRKC-AGIUHOORSA-N 2 1 228.380 1.872 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000384928421 367760707 /nfs/dbraw/zinc/76/07/07/367760707.db2.gz SAUCFQCVIQKJKZ-JHJVBQTASA-N 2 1 240.391 1.752 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000384660323 367713144 /nfs/dbraw/zinc/71/31/44/367713144.db2.gz VWZKBCRDYOEPIF-NTZNESFSSA-N 2 1 226.364 1.626 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888559 370895626 /nfs/dbraw/zinc/89/56/26/370895626.db2.gz XFQPJSWUBBOUGQ-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888559 370895629 /nfs/dbraw/zinc/89/56/29/370895629.db2.gz XFQPJSWUBBOUGQ-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C)O1 ZINC000385291259 367817766 /nfs/dbraw/zinc/81/77/66/367817766.db2.gz ZURUKHLBICIOJJ-NMKXLXIOSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000386091179 367910613 /nfs/dbraw/zinc/91/06/13/367910613.db2.gz IEVBZJONANWBRZ-SDDRHHMPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCCN1 ZINC000386039355 367901580 /nfs/dbraw/zinc/90/15/80/367901580.db2.gz SJVKPKYWFFFOCI-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCCC[NH2+]1 ZINC000386622719 368003653 /nfs/dbraw/zinc/00/36/53/368003653.db2.gz YKKGHNQVRYDKTJ-QWRGUYRKSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386610913 368002298 /nfs/dbraw/zinc/00/22/98/368002298.db2.gz WOUGKWFUTXMSSK-AGIUHOORSA-N 2 1 228.380 1.658 20 0 BDADMP CCC[C@@H](C)[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000581948281 367975729 /nfs/dbraw/zinc/97/57/29/367975729.db2.gz FNJCKOPDYZZKNB-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[N@H+](CC[C@@H]1CC[NH2+]C1)CC(F)F ZINC000386517201 367983266 /nfs/dbraw/zinc/98/32/66/367983266.db2.gz DOXGRIAGAAKQHO-JTQLQIEISA-N 2 1 220.307 1.962 20 0 BDADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(F)F ZINC000386517201 367983271 /nfs/dbraw/zinc/98/32/71/367983271.db2.gz DOXGRIAGAAKQHO-JTQLQIEISA-N 2 1 220.307 1.962 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C[NH2+]1 ZINC000399255640 368047613 /nfs/dbraw/zinc/04/76/13/368047613.db2.gz ZRWMARUUHFEZHX-KKOKHZNYSA-N 2 1 212.337 1.284 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC000252878068 368165612 /nfs/dbraw/zinc/16/56/12/368165612.db2.gz WYZDQOHANGRXNG-YIYPIFLZSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000566908997 326092861 /nfs/dbraw/zinc/09/28/61/326092861.db2.gz WBQVDPGBACOUTH-AAEUAGOBSA-N 2 1 225.380 1.106 20 0 BDADMP CCN(CC)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086401881 368879518 /nfs/dbraw/zinc/87/95/18/368879518.db2.gz FHFMPTRGGSRJMV-NWDGAFQWSA-N 2 1 213.369 1.188 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)nc2)CC[C@H]1[NH3+] ZINC000253268630 368907449 /nfs/dbraw/zinc/90/74/49/368907449.db2.gz ZABYCWOVNXUDTG-CHWSQXEVSA-N 2 1 249.358 1.649 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)CC[C@H]1[NH3+] ZINC000253268630 368907452 /nfs/dbraw/zinc/90/74/52/368907452.db2.gz ZABYCWOVNXUDTG-CHWSQXEVSA-N 2 1 249.358 1.649 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000623657821 368999405 /nfs/dbraw/zinc/99/94/05/368999405.db2.gz ZSFHUAOOCMESHS-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000623657821 368999411 /nfs/dbraw/zinc/99/94/11/368999411.db2.gz ZSFHUAOOCMESHS-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830132 369007079 /nfs/dbraw/zinc/00/70/79/369007079.db2.gz KUCAIUNIYUAUTO-SYQHCUMBSA-N 2 1 238.375 1.343 20 0 BDADMP Cc1nccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000631823812 368986236 /nfs/dbraw/zinc/98/62/36/368986236.db2.gz OJNSLMQIONPSEE-RWMBFGLXSA-N 2 1 246.358 1.344 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000623655869 368991276 /nfs/dbraw/zinc/99/12/76/368991276.db2.gz HUQJDWARACYUHJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000623655869 368991279 /nfs/dbraw/zinc/99/12/79/368991279.db2.gz HUQJDWARACYUHJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623655869 368991281 /nfs/dbraw/zinc/99/12/81/368991281.db2.gz HUQJDWARACYUHJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655869 368991283 /nfs/dbraw/zinc/99/12/83/368991283.db2.gz HUQJDWARACYUHJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655869 368991285 /nfs/dbraw/zinc/99/12/85/368991285.db2.gz HUQJDWARACYUHJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CO[C@@H](C)C[N@@H+](CCc1cncn1C)C(C)C ZINC000459334074 203250027 /nfs/dbraw/zinc/25/00/27/203250027.db2.gz CZCMKWHITVKBRQ-LBPRGKRZSA-N 2 1 239.363 1.708 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000459410472 203275934 /nfs/dbraw/zinc/27/59/34/203275934.db2.gz RZZALCTUEMBWRS-KBPBESRZSA-N 2 1 249.358 1.510 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](C)O)C[C@H]1C ZINC000459356597 203268864 /nfs/dbraw/zinc/26/88/64/203268864.db2.gz LNZMECABCNOBID-IJLUTSLNSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](C)[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459436560 203280143 /nfs/dbraw/zinc/28/01/43/203280143.db2.gz XKQHVHXHRMCHBF-RISCZKNCSA-N 2 1 240.391 1.610 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000459581970 203306131 /nfs/dbraw/zinc/30/61/31/203306131.db2.gz DWPLIJRXQAPBAO-DGCLKSJQSA-N 2 1 235.331 1.151 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000459770669 203362874 /nfs/dbraw/zinc/36/28/74/203362874.db2.gz HSYOTESDMTXUPN-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP COCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459782803 203368577 /nfs/dbraw/zinc/36/85/77/203368577.db2.gz NAGFSCNMNIVKOH-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CCOC1 ZINC000166219013 203387507 /nfs/dbraw/zinc/38/75/07/203387507.db2.gz UCDZBGWVSQTCPX-UHTWSYAYSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000158222157 326312032 /nfs/dbraw/zinc/31/20/32/326312032.db2.gz BKWXRCHQOMCTIU-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252882215 370138247 /nfs/dbraw/zinc/13/82/47/370138247.db2.gz ZGCLQYZWMKLWDW-AVGNSLFASA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000066124542 370552335 /nfs/dbraw/zinc/55/23/35/370552335.db2.gz HUVWVVKSJMJMPW-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CC[C@H](C)[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC000066124542 370552339 /nfs/dbraw/zinc/55/23/39/370552339.db2.gz HUVWVVKSJMJMPW-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CC[C@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC000066124542 370552341 /nfs/dbraw/zinc/55/23/41/370552341.db2.gz HUVWVVKSJMJMPW-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CCn1nccc1CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000621775369 370522814 /nfs/dbraw/zinc/52/28/14/370522814.db2.gz NBQWYIULHKTSBV-NEPJUHHUSA-N 2 1 236.363 1.115 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000621776897 370526284 /nfs/dbraw/zinc/52/62/84/370526284.db2.gz ZNNSIYRSZMUUNU-NEPJUHHUSA-N 2 1 236.363 1.257 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC1CCCC1)C2 ZINC000621779838 370528579 /nfs/dbraw/zinc/52/85/79/370528579.db2.gz JXMCNHVMVABRBM-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781414 370530782 /nfs/dbraw/zinc/53/07/82/370530782.db2.gz DQOVXESFPVHOOA-UONOGXRCSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@@]12CCC[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781414 370530785 /nfs/dbraw/zinc/53/07/85/370530785.db2.gz DQOVXESFPVHOOA-UONOGXRCSA-N 2 1 237.391 1.189 20 0 BDADMP N[C@@]12CCC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000621781414 370530790 /nfs/dbraw/zinc/53/07/90/370530790.db2.gz DQOVXESFPVHOOA-UONOGXRCSA-N 2 1 237.391 1.189 20 0 BDADMP COCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782115 370530823 /nfs/dbraw/zinc/53/08/23/370530823.db2.gz MPCHDQJAEPJECJ-VXGBXAGGSA-N 2 1 212.337 1.226 20 0 BDADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ncc[nH]1 ZINC000631878835 370575851 /nfs/dbraw/zinc/57/58/51/370575851.db2.gz BCEHXMJTUZCVIS-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ncc[nH]1 ZINC000631878835 370575853 /nfs/dbraw/zinc/57/58/53/370575853.db2.gz BCEHXMJTUZCVIS-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP CC[C@@](C)(CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623946925 371173123 /nfs/dbraw/zinc/17/31/23/371173123.db2.gz MOOHPHVFNBSZJS-YPMHNXCESA-N 2 1 228.380 1.610 20 0 BDADMP COCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121315 371321491 /nfs/dbraw/zinc/32/14/91/371321491.db2.gz SZQOJTOIUDOCBT-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn[nH]c1 ZINC000624212016 371398277 /nfs/dbraw/zinc/39/82/77/371398277.db2.gz NDOYOWUKVIACDH-GFCCVEGCSA-N 2 1 236.363 1.764 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn[nH]c1 ZINC000624212016 371398282 /nfs/dbraw/zinc/39/82/82/371398282.db2.gz NDOYOWUKVIACDH-GFCCVEGCSA-N 2 1 236.363 1.764 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000624216845 371404063 /nfs/dbraw/zinc/40/40/63/371404063.db2.gz RXUAAMCHMLWNBN-ZUWCUPBKSA-N 2 1 238.375 1.220 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000624218829 371407127 /nfs/dbraw/zinc/40/71/27/371407127.db2.gz CKMKAZWPJCMZFG-FVCCEPFGSA-N 2 1 226.364 1.077 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000624298606 371464212 /nfs/dbraw/zinc/46/42/12/371464212.db2.gz VRKSCPQFPRWGPP-DDHJBXDOSA-N 2 1 212.337 1.236 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000624298606 371464217 /nfs/dbraw/zinc/46/42/17/371464217.db2.gz VRKSCPQFPRWGPP-DDHJBXDOSA-N 2 1 212.337 1.236 20 0 BDADMP FC(F)(F)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000131251222 371576079 /nfs/dbraw/zinc/57/60/79/371576079.db2.gz QAOZMGGSXZQZED-DTORHVGOSA-N 2 1 222.254 1.480 20 0 BDADMP FC(F)(F)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000131251222 371576081 /nfs/dbraw/zinc/57/60/81/371576081.db2.gz QAOZMGGSXZQZED-DTORHVGOSA-N 2 1 222.254 1.480 20 0 BDADMP CC(C)CCC[NH2+]CCc1c[nH+]cn1C ZINC000401678244 371799019 /nfs/dbraw/zinc/79/90/19/371799019.db2.gz PTLHYSITAXPYBK-UHFFFAOYSA-N 2 1 209.337 1.988 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000163447344 371994970 /nfs/dbraw/zinc/99/49/70/371994970.db2.gz NRFDRRRMWYNWEA-YPMHNXCESA-N 2 1 249.358 1.507 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000163447344 371994972 /nfs/dbraw/zinc/99/49/72/371994972.db2.gz NRFDRRRMWYNWEA-YPMHNXCESA-N 2 1 249.358 1.507 20 0 BDADMP CC(C)(F)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631189242 372223163 /nfs/dbraw/zinc/22/31/63/372223163.db2.gz QLSLQXFAZSQQIT-MNOVXSKESA-N 2 1 214.328 1.951 20 0 BDADMP CC(C)(F)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631189242 372223166 /nfs/dbraw/zinc/22/31/66/372223166.db2.gz QLSLQXFAZSQQIT-MNOVXSKESA-N 2 1 214.328 1.951 20 0 BDADMP CCC[N@@H+](C[C@H]1CCO[C@@H]1C)C1CC[NH2+]CC1 ZINC000631822844 372600932 /nfs/dbraw/zinc/60/09/32/372600932.db2.gz QANSYYXTBHQSML-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822907 372600152 /nfs/dbraw/zinc/60/01/52/372600152.db2.gz RPWTXTPAHAUKMR-NNYUYHANSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631827981 372609180 /nfs/dbraw/zinc/60/91/80/372609180.db2.gz BHTGVOBNCRJMJN-IKOXMDCHSA-N 2 1 240.391 1.717 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000631828450 372609706 /nfs/dbraw/zinc/60/97/06/372609706.db2.gz PGVHPCOJPVSGSX-MROQNXINSA-N 2 1 226.364 1.328 20 0 BDADMP CCOCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832060 372616105 /nfs/dbraw/zinc/61/61/05/372616105.db2.gz XGHXOWFGCMLSJI-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CCOCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832060 372616109 /nfs/dbraw/zinc/61/61/09/372616109.db2.gz XGHXOWFGCMLSJI-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCCCC[C@H](N)C1 ZINC000631834319 372617745 /nfs/dbraw/zinc/61/77/45/372617745.db2.gz UXRUFYXZDDBHBR-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP COCC[C@@H](C)N1CCCCC[C@H]([NH3+])C1 ZINC000631834319 372617753 /nfs/dbraw/zinc/61/77/53/372617753.db2.gz UXRUFYXZDDBHBR-NEPJUHHUSA-N 2 1 214.353 1.615 20 0 BDADMP Cc1cccnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837903 372630097 /nfs/dbraw/zinc/63/00/97/372630097.db2.gz GWVZTWXXGJBIBZ-NWDGAFQWSA-N 2 1 219.332 1.417 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1C[NH3+] ZINC000631840870 372638377 /nfs/dbraw/zinc/63/83/77/372638377.db2.gz GRYUNPOXJWCQSO-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1C[NH3+] ZINC000631840870 372638382 /nfs/dbraw/zinc/63/83/82/372638382.db2.gz GRYUNPOXJWCQSO-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000631826984 372605416 /nfs/dbraw/zinc/60/54/16/372605416.db2.gz BMFWTRJTNLYDKS-IACUBPJLSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000631826397 372606063 /nfs/dbraw/zinc/60/60/63/372606063.db2.gz MMQQCWBYTCLTFW-AVGNSLFASA-N 2 1 226.364 1.615 20 0 BDADMP Cc1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000631864272 372666271 /nfs/dbraw/zinc/66/62/71/372666271.db2.gz MIOBBZATVHSXNT-UHFFFAOYSA-N 2 1 248.370 1.541 20 0 BDADMP CCOCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888689 372673418 /nfs/dbraw/zinc/67/34/18/372673418.db2.gz YZCCZTWQRKGTFA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888689 372673419 /nfs/dbraw/zinc/67/34/19/372673419.db2.gz YZCCZTWQRKGTFA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C([C@H]1CCOC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886537 372682214 /nfs/dbraw/zinc/68/22/14/372682214.db2.gz IKRNQHOMDJGIBE-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886537 372682219 /nfs/dbraw/zinc/68/22/19/372682219.db2.gz IKRNQHOMDJGIBE-UPJWGTAASA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887269 372682441 /nfs/dbraw/zinc/68/24/41/372682441.db2.gz PQJOQTVNIPVNKE-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631891349 372685863 /nfs/dbraw/zinc/68/58/63/372685863.db2.gz XYGOVQFCVNNADG-DZGCQCFKSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)nc1 ZINC000631891349 372685872 /nfs/dbraw/zinc/68/58/72/372685872.db2.gz XYGOVQFCVNNADG-DZGCQCFKSA-N 2 1 245.370 1.964 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890902 372685937 /nfs/dbraw/zinc/68/59/37/372685937.db2.gz ULAQVZPTWJLAMY-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631890961 372687254 /nfs/dbraw/zinc/68/72/54/372687254.db2.gz WQSZCBMZYAXXFL-JSGCOSHPSA-N 2 1 231.343 1.656 20 0 BDADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)nc1 ZINC000631890961 372687257 /nfs/dbraw/zinc/68/72/57/372687257.db2.gz WQSZCBMZYAXXFL-JSGCOSHPSA-N 2 1 231.343 1.656 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016638 373106439 /nfs/dbraw/zinc/10/64/39/373106439.db2.gz MTIIVKRCWLHPJS-BETUJISGSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)O)[C@@H](C)C1 ZINC000360471765 170009494 /nfs/dbraw/zinc/00/94/94/170009494.db2.gz COWUYRKVGNKKMN-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000442661373 206082402 /nfs/dbraw/zinc/08/24/02/206082402.db2.gz NIHLNRKFCZKJRV-DGCLKSJQSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@@H]1C ZINC000194591153 206095017 /nfs/dbraw/zinc/09/50/17/206095017.db2.gz RPWWCEZVRSEMQO-RYUDHWBXSA-N 2 1 226.364 1.316 20 0 BDADMP CCCCOCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000303621885 168896567 /nfs/dbraw/zinc/89/65/67/168896567.db2.gz ZEUZOZPJNUQAPM-ZDUSSCGKSA-N 2 1 226.364 1.489 20 0 BDADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000353509715 183137199 /nfs/dbraw/zinc/13/71/99/183137199.db2.gz LGPJJDNBJVIJSP-BFHYXJOUSA-N 2 1 238.375 1.221 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC)C1 ZINC000304707758 169077353 /nfs/dbraw/zinc/07/73/53/169077353.db2.gz LCOZQQKEEJOERJ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC)C1 ZINC000304707758 169077354 /nfs/dbraw/zinc/07/73/54/169077354.db2.gz LCOZQQKEEJOERJ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC)C1 ZINC000304707758 169077355 /nfs/dbraw/zinc/07/73/55/169077355.db2.gz LCOZQQKEEJOERJ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361967423 169122200 /nfs/dbraw/zinc/12/22/00/169122200.db2.gz UCSIHKNYUFXXSP-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361967423 169122203 /nfs/dbraw/zinc/12/22/03/169122203.db2.gz UCSIHKNYUFXXSP-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361967423 169122204 /nfs/dbraw/zinc/12/22/04/169122204.db2.gz UCSIHKNYUFXXSP-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)CC)CC1 ZINC000304434876 169187392 /nfs/dbraw/zinc/18/73/92/169187392.db2.gz RMMHPTGNZUTGQT-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093210642 169189515 /nfs/dbraw/zinc/18/95/15/169189515.db2.gz HYNKZMJBJZAVPH-JSGCOSHPSA-N 3 1 239.407 1.720 20 0 BDADMP CCC[N@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000370783466 169192001 /nfs/dbraw/zinc/19/20/01/169192001.db2.gz YPUTXTKSJQEDOM-UHFFFAOYSA-N 2 1 241.379 1.058 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccon3)C2)n1 ZINC000266941425 183327722 /nfs/dbraw/zinc/32/77/22/183327722.db2.gz RIRGRWGRXLKWHT-SNVBAGLBSA-N 2 1 232.287 1.777 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccon3)C2)n1 ZINC000266941425 183327724 /nfs/dbraw/zinc/32/77/24/183327724.db2.gz RIRGRWGRXLKWHT-SNVBAGLBSA-N 2 1 232.287 1.777 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000336495843 183328222 /nfs/dbraw/zinc/32/82/22/183328222.db2.gz NXTMTGNPGYLGME-STQMWFEESA-N 2 1 248.374 1.589 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)on1 ZINC000334981620 183341719 /nfs/dbraw/zinc/34/17/19/183341719.db2.gz UQYYYRXMIHIXJH-VXGBXAGGSA-N 2 1 235.331 1.496 20 0 BDADMP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000031994521 183345834 /nfs/dbraw/zinc/34/58/34/183345834.db2.gz AHUKMHUWCCBOIL-ZDUSSCGKSA-N 2 1 217.316 1.267 20 0 BDADMP c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000031994521 183345836 /nfs/dbraw/zinc/34/58/36/183345836.db2.gz AHUKMHUWCCBOIL-ZDUSSCGKSA-N 2 1 217.316 1.267 20 0 BDADMP CCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903453 169207054 /nfs/dbraw/zinc/20/70/54/169207054.db2.gz PCBSAVZBOZXDMK-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c[nH]1 ZINC000080778857 183351233 /nfs/dbraw/zinc/35/12/33/183351233.db2.gz FZCUACCMZRXDDW-CHWSQXEVSA-N 2 1 219.332 1.731 20 0 BDADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c[nH]1 ZINC000080778857 183351236 /nfs/dbraw/zinc/35/12/36/183351236.db2.gz FZCUACCMZRXDDW-CHWSQXEVSA-N 2 1 219.332 1.731 20 0 BDADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000037408311 183352082 /nfs/dbraw/zinc/35/20/82/183352082.db2.gz FBHXAAACZXXVIW-CYBMUJFWSA-N 2 1 231.343 1.656 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c[nH]1 ZINC000227495726 183353093 /nfs/dbraw/zinc/35/30/93/183353093.db2.gz FZCUACCMZRXDDW-STQMWFEESA-N 2 1 219.332 1.731 20 0 BDADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c[nH]1 ZINC000227495726 183353094 /nfs/dbraw/zinc/35/30/94/183353094.db2.gz FZCUACCMZRXDDW-STQMWFEESA-N 2 1 219.332 1.731 20 0 BDADMP CCCO[C@@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000357083889 169311994 /nfs/dbraw/zinc/31/19/94/169311994.db2.gz IVZNAWRMZRBSLV-CYBMUJFWSA-N 2 1 244.379 1.243 20 0 BDADMP c1[nH+]c2c(n1CC1CC[NH2+]CC1)CCCC2 ZINC000127327414 183539147 /nfs/dbraw/zinc/53/91/47/183539147.db2.gz NNXUPNUAUVNMKR-UHFFFAOYSA-N 2 1 219.332 1.762 20 0 BDADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000224520516 134348468 /nfs/dbraw/zinc/34/84/68/134348468.db2.gz VECCXYDCQDUMBV-NEPJUHHUSA-N 2 1 226.364 1.484 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326414 134360136 /nfs/dbraw/zinc/36/01/36/134360136.db2.gz SBMBDAOSCFIDFJ-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP CCC[C@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000226321549 134360217 /nfs/dbraw/zinc/36/02/17/134360217.db2.gz UYVMRWISAQDLMA-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000309328943 383879511 /nfs/dbraw/zinc/87/95/11/383879511.db2.gz HGYPIKBXHMEASL-XQQFMLRXSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000309328943 383879517 /nfs/dbraw/zinc/87/95/17/383879517.db2.gz HGYPIKBXHMEASL-XQQFMLRXSA-N 2 1 228.380 1.730 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000069724122 383841977 /nfs/dbraw/zinc/84/19/77/383841977.db2.gz GNXFQUAJIMQOLN-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000309328944 383879970 /nfs/dbraw/zinc/87/99/70/383879970.db2.gz HGYPIKBXHMEASL-YNEHKIRRSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000309328944 383879979 /nfs/dbraw/zinc/87/99/79/383879979.db2.gz HGYPIKBXHMEASL-YNEHKIRRSA-N 2 1 228.380 1.730 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCOC1)C2 ZINC000643611307 383927195 /nfs/dbraw/zinc/92/71/95/383927195.db2.gz JFOYBJKGKQLLBJ-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCOC1)C2 ZINC000643611307 383927197 /nfs/dbraw/zinc/92/71/97/383927197.db2.gz JFOYBJKGKQLLBJ-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCOC1)C2 ZINC000643611307 383927201 /nfs/dbraw/zinc/92/72/01/383927201.db2.gz JFOYBJKGKQLLBJ-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[C@H]1CSC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401736623 383886568 /nfs/dbraw/zinc/88/65/68/383886568.db2.gz YWXWNSFDNIGFIR-GXSJLCMTSA-N 2 1 225.361 1.304 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070914886 383960463 /nfs/dbraw/zinc/96/04/63/383960463.db2.gz GBODTJXZJSGCKT-VIFPVBQESA-N 2 1 224.270 2.000 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000070829477 383964900 /nfs/dbraw/zinc/96/49/00/383964900.db2.gz ZWUPDURISZJFIV-CMPLNLGQSA-N 2 1 207.321 1.970 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000313156898 383966114 /nfs/dbraw/zinc/96/61/14/383966114.db2.gz ODMCRFVZHKZOTP-STQMWFEESA-N 2 1 228.380 1.610 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401787175 384005153 /nfs/dbraw/zinc/00/51/53/384005153.db2.gz LMTMTZNFLNGVDF-NWDGAFQWSA-N 2 1 214.353 1.484 20 0 BDADMP CO[C@H](CC(C)C)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642680556 384041262 /nfs/dbraw/zinc/04/12/62/384041262.db2.gz ZCHRIMQSPJKDJY-FRRDWIJNSA-N 2 1 226.364 1.199 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000447923475 384055335 /nfs/dbraw/zinc/05/53/35/384055335.db2.gz DCLDMHKNXWKIOZ-LBPRGKRZSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000447923475 384055342 /nfs/dbraw/zinc/05/53/42/384055342.db2.gz DCLDMHKNXWKIOZ-LBPRGKRZSA-N 2 1 237.347 1.284 20 0 BDADMP CN(C)c1nc(N[C@@H](C[NH3+])C2CCCC2)cc[nH+]1 ZINC000234274842 384116512 /nfs/dbraw/zinc/11/65/12/384116512.db2.gz ZJMDZZVINRXOGP-NSHDSACASA-N 2 1 249.362 1.472 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305287237 384164656 /nfs/dbraw/zinc/16/46/56/384164656.db2.gz DBNPCGQTBCZYEG-XDQVBPFNSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCOCC2)CC[N@@H+]1C ZINC000090720862 384169709 /nfs/dbraw/zinc/16/97/09/384169709.db2.gz RLAHUUROSSUVJL-ZYHUDNBSSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCOCC2)CC[N@H+]1C ZINC000090720862 384169718 /nfs/dbraw/zinc/16/97/18/384169718.db2.gz RLAHUUROSSUVJL-ZYHUDNBSSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccccc2)C1 ZINC000235438684 384231562 /nfs/dbraw/zinc/23/15/62/384231562.db2.gz MPCMFMYHALLRBU-AWEZNQCLSA-N 2 1 234.343 1.736 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000082581722 384243343 /nfs/dbraw/zinc/24/33/43/384243343.db2.gz XLMCKLCVFNAMPS-RYUDHWBXSA-N 2 1 212.337 1.084 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000069626416 384247091 /nfs/dbraw/zinc/24/70/91/384247091.db2.gz ROKSDDMYNNSBBX-LBPRGKRZSA-N 2 1 219.332 1.642 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000082645457 384253091 /nfs/dbraw/zinc/25/30/91/384253091.db2.gz KNYZEJJRHDJDDL-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CO1 ZINC000401908747 384253519 /nfs/dbraw/zinc/25/35/19/384253519.db2.gz VKNMIIGKXRZKHR-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000644166482 384256687 /nfs/dbraw/zinc/25/66/87/384256687.db2.gz NXWXFRHQBSXDOG-MBNYWOFBSA-N 2 1 248.374 1.657 20 0 BDADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)CN(C)C ZINC000168747072 384307582 /nfs/dbraw/zinc/30/75/82/384307582.db2.gz UVAHBPOQZYWAKE-MELADBBJSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)CN(C)C ZINC000168747157 384307911 /nfs/dbraw/zinc/30/79/11/384307911.db2.gz UVAHBPOQZYWAKE-HZSPNIEDSA-N 2 1 241.423 1.837 20 0 BDADMP CC(C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724432 384354520 /nfs/dbraw/zinc/35/45/20/384354520.db2.gz XMXREPYWDJNGNM-UHFFFAOYSA-N 2 1 227.396 1.212 20 0 BDADMP c1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000095092645 384363773 /nfs/dbraw/zinc/36/37/73/384363773.db2.gz QTZOXAHHKJUJGS-VIFPVBQESA-N 2 1 211.334 1.232 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)CC[N@H+]1C ZINC000300234467 384331029 /nfs/dbraw/zinc/33/10/29/384331029.db2.gz VCDSWLSTSXNZJF-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335642710 384417677 /nfs/dbraw/zinc/41/76/77/384417677.db2.gz HLFDFWLLHDNUDV-IAQYHMDHSA-N 2 1 230.355 1.884 20 0 BDADMP CC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150842413 384512622 /nfs/dbraw/zinc/51/26/22/384512622.db2.gz VMLROBZCUPYJRU-CYBMUJFWSA-N 2 1 224.348 1.383 20 0 BDADMP CC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150842413 384512626 /nfs/dbraw/zinc/51/26/26/384512626.db2.gz VMLROBZCUPYJRU-CYBMUJFWSA-N 2 1 224.348 1.383 20 0 BDADMP C([C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1)[NH+]1CCCC1 ZINC000150852960 384513739 /nfs/dbraw/zinc/51/37/39/384513739.db2.gz GUHUDIHUGSTLQL-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000049329800 384530396 /nfs/dbraw/zinc/53/03/96/384530396.db2.gz QKQAVYZKJJUECI-UHFFFAOYSA-N 2 1 245.326 1.990 20 0 BDADMP CCc1nc(NCCC[NH2+]C2CC2)cc(C)[nH+]1 ZINC000305959922 384558403 /nfs/dbraw/zinc/55/84/03/384558403.db2.gz ABXQDNPXLYTSOT-UHFFFAOYSA-N 2 1 234.347 1.901 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000162023450 384560336 /nfs/dbraw/zinc/56/03/36/384560336.db2.gz XMGKHLIQBKAUEV-UMSGYPCISA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000162023450 384560342 /nfs/dbraw/zinc/56/03/42/384560342.db2.gz XMGKHLIQBKAUEV-UMSGYPCISA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643058138 384561117 /nfs/dbraw/zinc/56/11/17/384561117.db2.gz FVGNVJVGFQPPCC-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066836 384580902 /nfs/dbraw/zinc/58/09/02/384580902.db2.gz UJPLQVQKTJPVOE-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066836 384580906 /nfs/dbraw/zinc/58/09/06/384580906.db2.gz UJPLQVQKTJPVOE-MJBXVCDLSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(O)c1 ZINC000019958883 384564202 /nfs/dbraw/zinc/56/42/02/384564202.db2.gz ZPQJTBIHRHAYJS-NSHDSACASA-N 2 1 222.332 1.995 20 0 BDADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000356905184 384566971 /nfs/dbraw/zinc/56/69/71/384566971.db2.gz UQDSKQUFLGYRSQ-YUTCNCBUSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@H+](CCCc1c[nH+]cn1C)CCOC ZINC000517957602 384599978 /nfs/dbraw/zinc/59/99/78/384599978.db2.gz SJEXCONVNGDZHS-UHFFFAOYSA-N 2 1 225.336 1.321 20 0 BDADMP CC[N@@H+](CCCc1c[nH+]cn1C)CCOC ZINC000517957602 384599985 /nfs/dbraw/zinc/59/99/85/384599985.db2.gz SJEXCONVNGDZHS-UHFFFAOYSA-N 2 1 225.336 1.321 20 0 BDADMP COC[C@@H](C)C[NH2+]CCn1cc[nH+]c1C ZINC000045695241 384665404 /nfs/dbraw/zinc/66/54/04/384665404.db2.gz FIVRWOGVOJUJGR-JTQLQIEISA-N 2 1 211.309 1.064 20 0 BDADMP CO[C@H](C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309823256 384637050 /nfs/dbraw/zinc/63/70/50/384637050.db2.gz GTRITHFZMQTXRI-LLVKDONJSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1ccc(C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000050973952 384655137 /nfs/dbraw/zinc/65/51/37/384655137.db2.gz PNSLYUWOVAGJAS-UHFFFAOYSA-N 2 1 219.288 1.883 20 0 BDADMP CCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000236855196 384659342 /nfs/dbraw/zinc/65/93/42/384659342.db2.gz AXOMRLMSFKEHPZ-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000044535233 384659768 /nfs/dbraw/zinc/65/97/68/384659768.db2.gz OAATWPFSBKPWJG-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000044535233 384659777 /nfs/dbraw/zinc/65/97/77/384659777.db2.gz OAATWPFSBKPWJG-ZDUSSCGKSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC12CCCC2 ZINC000309678213 384724508 /nfs/dbraw/zinc/72/45/08/384724508.db2.gz YPUCIWLOOORXIU-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086725458 384679798 /nfs/dbraw/zinc/67/97/98/384679798.db2.gz YIAMFISHEZWLON-MNOVXSKESA-N 2 1 208.305 1.552 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000363679150 384685118 /nfs/dbraw/zinc/68/51/18/384685118.db2.gz VMUZAHXTYDLOLF-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000363679150 384685124 /nfs/dbraw/zinc/68/51/24/384685124.db2.gz VMUZAHXTYDLOLF-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000363679150 384685130 /nfs/dbraw/zinc/68/51/30/384685130.db2.gz VMUZAHXTYDLOLF-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1ccc(C)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358136602 384693630 /nfs/dbraw/zinc/69/36/30/384693630.db2.gz LKGKOAZTKADWPG-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1ccc(C)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358136602 384693639 /nfs/dbraw/zinc/69/36/39/384693639.db2.gz LKGKOAZTKADWPG-OAHLLOKOSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1nnc(CC[NH2+]C2CC[NH+](C)CC2)s1 ZINC000309663946 384705317 /nfs/dbraw/zinc/70/53/17/384705317.db2.gz SMTSPYXDRPYTOS-UHFFFAOYSA-N 2 1 240.376 1.073 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCOC1 ZINC000363700395 384707568 /nfs/dbraw/zinc/70/75/68/384707568.db2.gz WBLZUTHRUIKWFS-AVGNSLFASA-N 2 1 249.358 1.460 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC(O)CC1 ZINC000309914644 384708493 /nfs/dbraw/zinc/70/84/93/384708493.db2.gz OPWHJEZEHLGHJL-HIFPTAJRSA-N 2 1 228.380 1.610 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543199 384712501 /nfs/dbraw/zinc/71/25/01/384712501.db2.gz JFLKSSPHNLVXEF-QWHCGFSZSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543199 384712506 /nfs/dbraw/zinc/71/25/06/384712506.db2.gz JFLKSSPHNLVXEF-QWHCGFSZSA-N 2 1 239.407 1.435 20 0 BDADMP COCCOCC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315960423 384721619 /nfs/dbraw/zinc/72/16/19/384721619.db2.gz WYFARVXCNSQANF-AGIUHOORSA-N 2 1 244.379 1.097 20 0 BDADMP COCCOCC[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000315960423 384721622 /nfs/dbraw/zinc/72/16/22/384721622.db2.gz WYFARVXCNSQANF-AGIUHOORSA-N 2 1 244.379 1.097 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000647547051 384737169 /nfs/dbraw/zinc/73/71/69/384737169.db2.gz LXTGMCMRJUYYLJ-YNEHKIRRSA-N 3 1 225.380 1.106 20 0 BDADMP COC[C@H](C)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000530548356 384741122 /nfs/dbraw/zinc/74/11/22/384741122.db2.gz HSXCFKLIBGCONM-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@H]3CCCCNC3)C[C@@H]12 ZINC000647548186 384749372 /nfs/dbraw/zinc/74/93/72/384749372.db2.gz XZFBANQLQCKPNT-RQJABVFESA-N 2 1 237.391 1.106 20 0 BDADMP Nc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000647547770 384750207 /nfs/dbraw/zinc/75/02/07/384750207.db2.gz CVBGWIKBRDHFKR-LBPRGKRZSA-N 2 1 246.358 1.258 20 0 BDADMP CSCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177061949 384858018 /nfs/dbraw/zinc/85/80/18/384858018.db2.gz VBHXDZSOMXARSU-QWRGUYRKSA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177061949 384858027 /nfs/dbraw/zinc/85/80/27/384858027.db2.gz VBHXDZSOMXARSU-QWRGUYRKSA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177061949 384858031 /nfs/dbraw/zinc/85/80/31/384858031.db2.gz VBHXDZSOMXARSU-QWRGUYRKSA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177061949 384858037 /nfs/dbraw/zinc/85/80/37/384858037.db2.gz VBHXDZSOMXARSU-QWRGUYRKSA-N 2 1 216.394 1.764 20 0 BDADMP CC[C@H]([NH2+]CCc1cncn1C)[C@@H]1CCC[NH2+]1 ZINC000568381397 384864187 /nfs/dbraw/zinc/86/41/87/384864187.db2.gz GNAZDRUYJJIQFM-STQMWFEESA-N 2 1 236.363 1.083 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647202287 384901002 /nfs/dbraw/zinc/90/10/02/384901002.db2.gz SVBOGYXOEATOKD-NSHDSACASA-N 2 1 248.317 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647202287 384901007 /nfs/dbraw/zinc/90/10/07/384901007.db2.gz SVBOGYXOEATOKD-NSHDSACASA-N 2 1 248.317 1.221 20 0 BDADMP CCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127811894 384915806 /nfs/dbraw/zinc/91/58/06/384915806.db2.gz ZWYLMAQYPNRQTA-NWDGAFQWSA-N 2 1 212.337 1.239 20 0 BDADMP CC(C)[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000366598782 384923883 /nfs/dbraw/zinc/92/38/83/384923883.db2.gz SVYPSCFLXWIDKJ-PIGZVRMJSA-N 2 1 240.391 1.560 20 0 BDADMP Cc1occc1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000644526823 384937994 /nfs/dbraw/zinc/93/79/94/384937994.db2.gz AXFBLQNXMCCUPY-CYBMUJFWSA-N 2 1 238.331 1.133 20 0 BDADMP CC1(C)CCC[C@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000566230470 384965498 /nfs/dbraw/zinc/96/54/98/384965498.db2.gz DCLOVVXVMFLWRF-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP CC1(C)CCC[C@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000566230470 384965506 /nfs/dbraw/zinc/96/55/06/384965506.db2.gz DCLOVVXVMFLWRF-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP Cc1c(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cnn1C ZINC000226304264 384968256 /nfs/dbraw/zinc/96/82/56/384968256.db2.gz IHDXSVACPUBTHX-MFKMUULPSA-N 2 1 236.363 1.349 20 0 BDADMP C[C@H](C[NH2+]Cc1ccncc1)C[NH+]1CCCC1 ZINC000057994257 384976278 /nfs/dbraw/zinc/97/62/78/384976278.db2.gz NPVJVDARNCTVJS-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP CCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378270 384989340 /nfs/dbraw/zinc/98/93/40/384989340.db2.gz YPPVBTNTOQVUHQ-UHFFFAOYSA-N 2 1 227.396 1.354 20 0 BDADMP CC[N@H+]1CC[C@H](CNCc2ccns2)C1 ZINC000404421371 384991530 /nfs/dbraw/zinc/99/15/30/384991530.db2.gz CVKJZQWUAYCZKP-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000404421371 384991537 /nfs/dbraw/zinc/99/15/37/384991537.db2.gz CVKJZQWUAYCZKP-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000404421371 384991545 /nfs/dbraw/zinc/99/15/45/384991545.db2.gz CVKJZQWUAYCZKP-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000226467363 385015402 /nfs/dbraw/zinc/01/54/02/385015402.db2.gz YBDYWKYJMNSYKY-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000226467368 385016983 /nfs/dbraw/zinc/01/69/83/385016983.db2.gz YBDYWKYJMNSYKY-CHWSQXEVSA-N 2 1 226.364 1.629 20 0 BDADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000404781010 385064684 /nfs/dbraw/zinc/06/46/84/385064684.db2.gz NGRUAUHIFFYYOO-RYUDHWBXSA-N 2 1 247.342 1.001 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000359224013 385073262 /nfs/dbraw/zinc/07/32/62/385073262.db2.gz SKKOQWQITBLGAG-UHFFFAOYSA-N 3 1 227.396 1.293 20 0 BDADMP C[N@H+](CCC1CC[NH2+]CC1)CC(C)(C)CN ZINC000359224013 385073267 /nfs/dbraw/zinc/07/32/67/385073267.db2.gz SKKOQWQITBLGAG-UHFFFAOYSA-N 2 1 227.396 1.293 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(C)(C)CN ZINC000359224013 385073271 /nfs/dbraw/zinc/07/32/71/385073271.db2.gz SKKOQWQITBLGAG-UHFFFAOYSA-N 2 1 227.396 1.293 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000647207604 385077219 /nfs/dbraw/zinc/07/72/19/385077219.db2.gz BHFRBEJHLDSBDC-AHPWVWPOSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCOC2)CC[N@@H+]1C ZINC000309148164 385109593 /nfs/dbraw/zinc/10/95/93/385109593.db2.gz VRXIGMVXZWRJLO-SRVKXCTJSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCOC2)CC[N@H+]1C ZINC000309148164 385109599 /nfs/dbraw/zinc/10/95/99/385109599.db2.gz VRXIGMVXZWRJLO-SRVKXCTJSA-N 2 1 212.337 1.238 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSC)C1 ZINC000177839565 385126402 /nfs/dbraw/zinc/12/64/02/385126402.db2.gz YJWQPNOSRWDJHO-NSHDSACASA-N 2 1 216.394 1.623 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCSC)C1 ZINC000177839565 385126408 /nfs/dbraw/zinc/12/64/08/385126408.db2.gz YJWQPNOSRWDJHO-NSHDSACASA-N 2 1 216.394 1.623 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSC)C1 ZINC000177839565 385126417 /nfs/dbraw/zinc/12/64/17/385126417.db2.gz YJWQPNOSRWDJHO-NSHDSACASA-N 2 1 216.394 1.623 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188817972 385095894 /nfs/dbraw/zinc/09/58/94/385095894.db2.gz FBUJSBAXUTXKJR-DGCLKSJQSA-N 2 1 249.358 1.398 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@]1(C)CCCO1 ZINC000559767189 385163901 /nfs/dbraw/zinc/16/39/01/385163901.db2.gz QWXYEGPKTVCWID-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCOC3)C2)C1 ZINC000644784225 385170307 /nfs/dbraw/zinc/17/03/07/385170307.db2.gz WKKJNCGJSSBYPI-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCOC3)C2)C1 ZINC000644784225 385170314 /nfs/dbraw/zinc/17/03/14/385170314.db2.gz WKKJNCGJSSBYPI-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCOC3)C2)C1 ZINC000644784225 385170321 /nfs/dbraw/zinc/17/03/21/385170321.db2.gz WKKJNCGJSSBYPI-STQMWFEESA-N 2 1 224.348 1.193 20 0 BDADMP Cc1c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000163495080 385200984 /nfs/dbraw/zinc/20/09/84/385200984.db2.gz QVGSNOOTPYDJEA-CMPLNLGQSA-N 2 1 236.363 1.145 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000252711421 385208621 /nfs/dbraw/zinc/20/86/21/385208621.db2.gz JLDSDNGIJQPGTL-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305768828 385227786 /nfs/dbraw/zinc/22/77/86/385227786.db2.gz LEGUSHLHJSAAHZ-AVGNSLFASA-N 2 1 242.407 1.713 20 0 BDADMP C1C[NH2+]C[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000220671467 385262912 /nfs/dbraw/zinc/26/29/12/385262912.db2.gz ZCRQHPCJGOJUFS-ZJUUUORDSA-N 2 1 200.351 1.224 20 0 BDADMP C1C[NH2+]C[C@@H]([NH2+]C2CCSCC2)C1 ZINC000220686783 385264363 /nfs/dbraw/zinc/26/43/63/385264363.db2.gz JQNPTYCNBZQSJK-JTQLQIEISA-N 2 1 200.351 1.224 20 0 BDADMP Cc1cncc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000299897817 385286243 /nfs/dbraw/zinc/28/62/43/385286243.db2.gz SKSCISOSDWMJSV-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cncc(C)c2)CC[C@H]1[NH3+] ZINC000299932142 385328701 /nfs/dbraw/zinc/32/87/01/385328701.db2.gz TXLOLRRGNSJJPR-UONOGXRCSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cncc(C)c2)CC[C@H]1[NH3+] ZINC000299932142 385328705 /nfs/dbraw/zinc/32/87/05/385328705.db2.gz TXLOLRRGNSJJPR-UONOGXRCSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000228076416 385330016 /nfs/dbraw/zinc/33/00/16/385330016.db2.gz KUDNUPGNGMTRLZ-LDYMZIIASA-N 2 1 239.388 1.929 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000165169492 385358145 /nfs/dbraw/zinc/35/81/45/385358145.db2.gz ICZJRZDZSFWYFR-NEPJUHHUSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000309024816 385366938 /nfs/dbraw/zinc/36/69/38/385366938.db2.gz ZHTXWWUQZAEUMF-ZYHUDNBSSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000309024816 385366940 /nfs/dbraw/zinc/36/69/40/385366940.db2.gz ZHTXWWUQZAEUMF-ZYHUDNBSSA-N 2 1 214.353 1.077 20 0 BDADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309067514 385392544 /nfs/dbraw/zinc/39/25/44/385392544.db2.gz AHCOCIQYCUWGFR-TUAOUCFPSA-N 2 1 214.353 1.341 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC[C@H]1[NH3+] ZINC000647497725 385408357 /nfs/dbraw/zinc/40/83/57/385408357.db2.gz SNSADKUQHBWWJJ-REWJHTLYSA-N 3 1 239.407 1.434 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCOCC1 ZINC000309114489 385422351 /nfs/dbraw/zinc/42/23/51/385422351.db2.gz PVSLKCYZFKOTHB-NSHDSACASA-N 2 1 214.353 1.484 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCOCC1 ZINC000309114489 385422353 /nfs/dbraw/zinc/42/23/53/385422353.db2.gz PVSLKCYZFKOTHB-NSHDSACASA-N 2 1 214.353 1.484 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC000182201281 385433999 /nfs/dbraw/zinc/43/39/99/385433999.db2.gz KDEOJENJJJVKTD-CHWSQXEVSA-N 2 1 228.380 1.685 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000182193826 385434040 /nfs/dbraw/zinc/43/40/40/385434040.db2.gz MGQNXKAREBZZKD-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@H](C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000182193826 385434043 /nfs/dbraw/zinc/43/40/43/385434043.db2.gz MGQNXKAREBZZKD-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@H](C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000182193826 385434047 /nfs/dbraw/zinc/43/40/47/385434047.db2.gz MGQNXKAREBZZKD-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP Cn1cccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179638470 385480191 /nfs/dbraw/zinc/48/01/91/385480191.db2.gz AGZIICSJZHOWLW-LBPRGKRZSA-N 2 1 221.348 1.409 20 0 BDADMP Cn1cccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179638470 385480192 /nfs/dbraw/zinc/48/01/92/385480192.db2.gz AGZIICSJZHOWLW-LBPRGKRZSA-N 2 1 221.348 1.409 20 0 BDADMP C[N@H+](CC[NH2+]C[C@H]1CCCOC1)C1CCCC1 ZINC000111320536 385501106 /nfs/dbraw/zinc/50/11/06/385501106.db2.gz NDLCTCJXWMLEEN-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](CC[NH2+]C[C@H]1CCCOC1)C1CCCC1 ZINC000111320536 385501108 /nfs/dbraw/zinc/50/11/08/385501108.db2.gz NDLCTCJXWMLEEN-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000309267329 385504434 /nfs/dbraw/zinc/50/44/34/385504434.db2.gz RIHWXCODHACHMC-FRRDWIJNSA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000309267329 385504437 /nfs/dbraw/zinc/50/44/37/385504437.db2.gz RIHWXCODHACHMC-FRRDWIJNSA-N 2 1 228.380 1.872 20 0 BDADMP CC[C@](C)(C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)OC ZINC000318959090 385531095 /nfs/dbraw/zinc/53/10/95/385531095.db2.gz CGJBBZDYTXASNE-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C1CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000309364917 385550699 /nfs/dbraw/zinc/55/06/99/385550699.db2.gz PIHHEKPXLGZRPO-BPCQOVAHSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)C1CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000309364917 385550701 /nfs/dbraw/zinc/55/07/01/385550701.db2.gz PIHHEKPXLGZRPO-BPCQOVAHSA-N 2 1 226.364 1.077 20 0 BDADMP COC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000319171258 385553374 /nfs/dbraw/zinc/55/33/74/385553374.db2.gz LVVZTFISURXVSW-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP COC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000319171261 385553635 /nfs/dbraw/zinc/55/36/35/385553635.db2.gz LVVZTFISURXVSW-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC1([NH+](C)C)CCCC1 ZINC000309389319 385559818 /nfs/dbraw/zinc/55/98/18/385559818.db2.gz HITFEWIKQONWDJ-LBPRGKRZSA-N 3 1 227.396 1.578 20 0 BDADMP c1ccc(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107579257 385570362 /nfs/dbraw/zinc/57/03/62/385570362.db2.gz VDYTZMJYOIMZFY-OKILXGFUSA-N 2 1 246.354 1.607 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000336650614 385606670 /nfs/dbraw/zinc/60/66/70/385606670.db2.gz DTSMQSXSIQFYRR-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000336650614 385606676 /nfs/dbraw/zinc/60/66/76/385606676.db2.gz DTSMQSXSIQFYRR-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNC(=O)/C=C/c1ncc[nH]1 ZINC000493796012 385620360 /nfs/dbraw/zinc/62/03/60/385620360.db2.gz UZIFMDSFOGLNAD-QRGHLMKCSA-N 2 1 248.330 1.023 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000082645558 385627498 /nfs/dbraw/zinc/62/74/98/385627498.db2.gz ZOSDDKYYVJHOQR-AAEUAGOBSA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000336724094 385612299 /nfs/dbraw/zinc/61/22/99/385612299.db2.gz BAIVNXGAASJQIW-UMSGYPCISA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1[C@H](NC2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000309510030 385643824 /nfs/dbraw/zinc/64/38/24/385643824.db2.gz XBJNSABQBLBGPL-WCQYABFASA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1[C@H](NC2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000309510030 385643827 /nfs/dbraw/zinc/64/38/27/385643827.db2.gz XBJNSABQBLBGPL-WCQYABFASA-N 2 1 225.380 1.153 20 0 BDADMP CCN1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000414851302 385648967 /nfs/dbraw/zinc/64/89/67/385648967.db2.gz IYTAPQWFCWUDHR-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000414851302 385648977 /nfs/dbraw/zinc/64/89/77/385648977.db2.gz IYTAPQWFCWUDHR-QWHCGFSZSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000309523009 385660944 /nfs/dbraw/zinc/66/09/44/385660944.db2.gz CICCMNNJHDITRL-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000309523009 385660947 /nfs/dbraw/zinc/66/09/47/385660947.db2.gz CICCMNNJHDITRL-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414855125 385698944 /nfs/dbraw/zinc/69/89/44/385698944.db2.gz WHEALRPBFKISBH-MELADBBJSA-N 3 1 241.423 1.742 20 0 BDADMP C[C@H]([NH2+]CCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763888 385733769 /nfs/dbraw/zinc/73/37/69/385733769.db2.gz CEPUASABVJAJSO-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336693645 385736887 /nfs/dbraw/zinc/73/68/87/385736887.db2.gz HYJLPFZHCGDUEB-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336693645 385736892 /nfs/dbraw/zinc/73/68/92/385736892.db2.gz HYJLPFZHCGDUEB-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000336693645 385736897 /nfs/dbraw/zinc/73/68/97/385736897.db2.gz HYJLPFZHCGDUEB-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000336693645 385736901 /nfs/dbraw/zinc/73/69/01/385736901.db2.gz HYJLPFZHCGDUEB-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP c1c2cccnc2oc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385193 385744789 /nfs/dbraw/zinc/74/47/89/385744789.db2.gz JKTVLDWTHGVHJE-TXEJJXNPSA-N 2 1 243.310 1.479 20 0 BDADMP c1c2cccnc2oc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385193 385744791 /nfs/dbraw/zinc/74/47/91/385744791.db2.gz JKTVLDWTHGVHJE-TXEJJXNPSA-N 2 1 243.310 1.479 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCO)[C@@H](C)C1 ZINC000228397697 385747933 /nfs/dbraw/zinc/74/79/33/385747933.db2.gz AXHAZJCMCNBXRN-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000310972360 385777952 /nfs/dbraw/zinc/77/79/52/385777952.db2.gz RLYOGDNZKLGVFY-KBPBESRZSA-N 2 1 248.374 1.416 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000336714525 385812614 /nfs/dbraw/zinc/81/26/14/385812614.db2.gz PCJAMCARSXPKSC-ZIAGYGMSSA-N 3 1 241.423 1.968 20 0 BDADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000336716665 385817453 /nfs/dbraw/zinc/81/74/53/385817453.db2.gz XLCNSDRFGMZOEO-MNOVXSKESA-N 2 1 228.405 1.812 20 0 BDADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000336716669 385817551 /nfs/dbraw/zinc/81/75/51/385817551.db2.gz XLCNSDRFGMZOEO-QWRGUYRKSA-N 2 1 228.405 1.812 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000226436321 385822733 /nfs/dbraw/zinc/82/27/33/385822733.db2.gz NPYMQABCVAGCPJ-GFCCVEGCSA-N 2 1 212.337 1.097 20 0 BDADMP CCN[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414952105 385823853 /nfs/dbraw/zinc/82/38/53/385823853.db2.gz IBNZCPGZLTXPKC-VOMCLLRMSA-N 2 1 213.369 1.092 20 0 BDADMP COc1ccsc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414952851 385827463 /nfs/dbraw/zinc/82/74/63/385827463.db2.gz RCOCVPMRYRUFAT-ZJUUUORDSA-N 2 1 240.372 1.987 20 0 BDADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000414954779 385829811 /nfs/dbraw/zinc/82/98/11/385829811.db2.gz KWAQZSLNWXVIPT-XQQFMLRXSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)CC[NH2+]1 ZINC000414955420 385836318 /nfs/dbraw/zinc/83/63/18/385836318.db2.gz UGPCPWJTMVDAMA-TZMCWYRMSA-N 2 1 247.386 1.983 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000647804202 385841068 /nfs/dbraw/zinc/84/10/68/385841068.db2.gz LITXSXRJVJBONK-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000335038299 385928590 /nfs/dbraw/zinc/92/85/90/385928590.db2.gz JPFOYAMJBXWABT-CHWSQXEVSA-N 2 1 219.332 1.831 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CCCOC1 ZINC000250800508 385928586 /nfs/dbraw/zinc/92/85/86/385928586.db2.gz BIPLKOCMJCGGSZ-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000647844877 385894885 /nfs/dbraw/zinc/89/48/85/385894885.db2.gz YOWRHUNDKFGXFH-OCCSQVGLSA-N 3 1 239.407 1.435 20 0 BDADMP NC[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647853426 385904234 /nfs/dbraw/zinc/90/42/34/385904234.db2.gz CZUMMYCWUYOWLB-CYBMUJFWSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647853426 385904238 /nfs/dbraw/zinc/90/42/38/385904238.db2.gz CZUMMYCWUYOWLB-CYBMUJFWSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647853426 385904242 /nfs/dbraw/zinc/90/42/42/385904242.db2.gz CZUMMYCWUYOWLB-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@H]1CCCN1CCCC1CC[NH2+]CC1 ZINC000647853426 385904247 /nfs/dbraw/zinc/90/42/47/385904247.db2.gz CZUMMYCWUYOWLB-CYBMUJFWSA-N 2 1 225.380 1.189 20 0 BDADMP C[N@@H+](C[C@H]1CCSC1)[C@@H]1CCC[NH2+]CC1 ZINC000226447317 385913026 /nfs/dbraw/zinc/91/30/26/385913026.db2.gz AULVOYLFWMYDLB-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H]([NH2+]C1CC(C)C1)c1c[nH+]ccc1N ZINC000335034019 385924083 /nfs/dbraw/zinc/92/40/83/385924083.db2.gz SSLNFXSKSGLTBD-HWOCKDDLSA-N 2 1 205.305 1.943 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340472028 385866360 /nfs/dbraw/zinc/86/63/60/385866360.db2.gz ZDTDFVSDEWMYPO-YPMHNXCESA-N 2 1 237.347 1.739 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000342098410 385927930 /nfs/dbraw/zinc/92/79/30/385927930.db2.gz IHDKJKQWHYEEPL-AAVRWANBSA-N 3 1 237.391 1.045 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1CC1(C)C ZINC000414130370 385978921 /nfs/dbraw/zinc/97/89/21/385978921.db2.gz JLESNPLTFSZLDF-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000414130370 385978928 /nfs/dbraw/zinc/97/89/28/385978928.db2.gz JLESNPLTFSZLDF-MBNYWOFBSA-N 2 1 240.391 1.467 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C1CCC(O)CC1 ZINC000338371383 385979837 /nfs/dbraw/zinc/97/98/37/385979837.db2.gz HNAFDSNRZDCLKW-UHFFFAOYSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H](OC)C2CC2)CC1 ZINC000425415318 385983309 /nfs/dbraw/zinc/98/33/09/385983309.db2.gz FRGKODJLSOKRPS-AWEZNQCLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H](OC)C2CC2)CC1 ZINC000425415318 385983311 /nfs/dbraw/zinc/98/33/11/385983311.db2.gz FRGKODJLSOKRPS-AWEZNQCLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000338363945 385986307 /nfs/dbraw/zinc/98/63/07/385986307.db2.gz KVLKUJUZOMRNHH-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000338363945 385986315 /nfs/dbraw/zinc/98/63/15/385986315.db2.gz KVLKUJUZOMRNHH-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP c1cc2c(nc[nH+]c2NC2CC[NH2+]CC2)[nH]1 ZINC000309149114 385988879 /nfs/dbraw/zinc/98/88/79/385988879.db2.gz DVILNYNBHFJBHH-UHFFFAOYSA-N 2 1 217.276 1.122 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414878167 385934068 /nfs/dbraw/zinc/93/40/68/385934068.db2.gz NXTQKIURUHKRDL-JHJVBQTASA-N 3 1 227.396 1.482 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000338344572 385973341 /nfs/dbraw/zinc/97/33/41/385973341.db2.gz DBDYERXABYYZQA-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000338344572 385973342 /nfs/dbraw/zinc/97/33/42/385973342.db2.gz DBDYERXABYYZQA-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295239988 385997420 /nfs/dbraw/zinc/99/74/20/385997420.db2.gz SPMFEYNUHOYVFN-WDEREUQCSA-N 2 1 247.342 1.106 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000414148305 385998008 /nfs/dbraw/zinc/99/80/08/385998008.db2.gz RWAXPOQXPYSROJ-XGFWRYKXSA-N 2 1 240.391 1.872 20 0 BDADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000295253402 385999457 /nfs/dbraw/zinc/99/94/57/385999457.db2.gz ZILUBEVBFJYJPF-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP CC(C)N1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000336721961 386004135 /nfs/dbraw/zinc/00/41/35/386004135.db2.gz SPQHZTDGSBUXMB-ZDUSSCGKSA-N 2 1 241.423 1.966 20 0 BDADMP CCOC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336770756 386007593 /nfs/dbraw/zinc/00/75/93/386007593.db2.gz VWMKRYRGQGHEGA-NSHDSACASA-N 2 1 212.337 1.263 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](CC2(OC)CCCC2)C1 ZINC000309484568 386011841 /nfs/dbraw/zinc/01/18/41/386011841.db2.gz FSWKJIUUQHGMMQ-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](CC2(OC)CCCC2)C1 ZINC000309484568 386011845 /nfs/dbraw/zinc/01/18/45/386011845.db2.gz FSWKJIUUQHGMMQ-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(OC(C)C)C2)C1 ZINC000189520996 386016133 /nfs/dbraw/zinc/01/61/33/386016133.db2.gz YCTFBGXABFTWKW-IYXRBSQSSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414182134 386022031 /nfs/dbraw/zinc/02/20/31/386022031.db2.gz MYSRDXCEWUHUGW-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000414188404 386027104 /nfs/dbraw/zinc/02/71/04/386027104.db2.gz QFLTYORVAOBDQN-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414883577 386028012 /nfs/dbraw/zinc/02/80/12/386028012.db2.gz NLTIAEXAZDQHQW-UONOGXRCSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@@H](CN1CCCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129106086 386051038 /nfs/dbraw/zinc/05/10/38/386051038.db2.gz ZYRFIKIQNONVFH-KBPBESRZSA-N 2 1 239.407 1.593 20 0 BDADMP C[NH2+][C@@H](C)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414980238 386053091 /nfs/dbraw/zinc/05/30/91/386053091.db2.gz WBUIVELZWUETOZ-RYUDHWBXSA-N 2 1 228.380 1.637 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H]1CCOC[C@@H]1C)C(C)C ZINC000336770038 385996843 /nfs/dbraw/zinc/99/68/43/385996843.db2.gz SSFCAUVHQDKQLC-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H]1CCOC[C@@H]1C)C(C)C ZINC000336770038 385996850 /nfs/dbraw/zinc/99/68/50/385996850.db2.gz SSFCAUVHQDKQLC-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP [NH3+]CC1(CN2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000414662647 386102926 /nfs/dbraw/zinc/10/29/26/386102926.db2.gz ZLWHZOCEOBVYLV-ZDUSSCGKSA-N 2 1 237.391 1.189 20 0 BDADMP Cc1ccncc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000335174539 386110139 /nfs/dbraw/zinc/11/01/39/386110139.db2.gz VEUBVPONJDVCMP-UHFFFAOYSA-N 2 1 219.332 1.622 20 0 BDADMP CCCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414666177 386118418 /nfs/dbraw/zinc/11/84/18/386118418.db2.gz FWXYHRVGHBGOGE-STQMWFEESA-N 2 1 228.380 1.469 20 0 BDADMP Cc1ccc(OCC[N@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647873396 386120974 /nfs/dbraw/zinc/12/09/74/386120974.db2.gz DUSVAMPZBKPIBV-CQSZACIVSA-N 2 1 248.370 1.915 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336753532 386064122 /nfs/dbraw/zinc/06/41/22/386064122.db2.gz GXPPLVZSPYUQFS-QWRGUYRKSA-N 2 1 212.337 1.261 20 0 BDADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H](O)C(C)C ZINC000414286446 386096501 /nfs/dbraw/zinc/09/65/01/386096501.db2.gz CODORGBAAABBRJ-KBPBESRZSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H]1CC[C@H]1[NH2+]CCC[N@@H+](C)CCOC ZINC000336729156 386099155 /nfs/dbraw/zinc/09/91/55/386099155.db2.gz HNBWYUAZZOENGN-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CC[NH2+]C1 ZINC000647876117 386145572 /nfs/dbraw/zinc/14/55/72/386145572.db2.gz QFUKLDIXLKSESN-GFCCVEGCSA-N 2 1 220.316 1.434 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)C[C@@H]1CC[NH2+]C1 ZINC000647876117 386145579 /nfs/dbraw/zinc/14/55/79/386145579.db2.gz QFUKLDIXLKSESN-GFCCVEGCSA-N 2 1 220.316 1.434 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1=CCCOC1 ZINC000288354380 386189786 /nfs/dbraw/zinc/18/97/86/386189786.db2.gz CJQPGXKUFVCCKM-UHFFFAOYSA-N 2 1 247.342 1.584 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](CCCCO)C2CC2)CC[NH2+]1 ZINC000414687256 386169884 /nfs/dbraw/zinc/16/98/84/386169884.db2.gz BYENULWURVXEGC-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C[C@H](C)O)C(C)C ZINC000414686833 386176321 /nfs/dbraw/zinc/17/63/21/386176321.db2.gz BJRHURYFYXBISC-RYUDHWBXSA-N 2 1 216.369 1.451 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C[C@@H](C)O)C(C)C ZINC000414686834 386177701 /nfs/dbraw/zinc/17/77/01/386177701.db2.gz BJRHURYFYXBISC-VXGBXAGGSA-N 2 1 216.369 1.451 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CCn2cccn2)CC[NH2+]1 ZINC000414692178 386183420 /nfs/dbraw/zinc/18/34/20/386183420.db2.gz KFEIQNRJJRTTAH-STQMWFEESA-N 2 1 236.363 1.203 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@@H]2C)c1C ZINC000054374316 386124577 /nfs/dbraw/zinc/12/45/77/386124577.db2.gz BAOFYQXMFZWMRN-NSHDSACASA-N 2 1 249.358 1.501 20 0 BDADMP CCCC[N@H+](CCOC)CCn1cc[nH+]c1C ZINC000346279322 386189561 /nfs/dbraw/zinc/18/95/61/386189561.db2.gz OYKJUHGZXKGUDO-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP CCCC[N@@H+](CCOC)CCn1cc[nH+]c1C ZINC000346279322 386189564 /nfs/dbraw/zinc/18/95/64/386189564.db2.gz OYKJUHGZXKGUDO-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP C[C@]1(C[NH2+]Cc2ccccn2)CCC[NH2+]C1 ZINC000414896426 386201278 /nfs/dbraw/zinc/20/12/78/386201278.db2.gz BQELZRPYKUYOEX-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC000414700962 386201754 /nfs/dbraw/zinc/20/17/54/386201754.db2.gz KJOHRLCGKPNLHE-MBNYWOFBSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000430619605 386203735 /nfs/dbraw/zinc/20/37/35/386203735.db2.gz ABAAYGUYBJZPOK-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000339012225 386210295 /nfs/dbraw/zinc/21/02/95/386210295.db2.gz WGFRVINCPZRPLK-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000339012225 386210302 /nfs/dbraw/zinc/21/03/02/386210302.db2.gz WGFRVINCPZRPLK-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000339012225 386210307 /nfs/dbraw/zinc/21/03/07/386210307.db2.gz WGFRVINCPZRPLK-XQQFMLRXSA-N 2 1 228.380 1.562 20 0 BDADMP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414710183 386226772 /nfs/dbraw/zinc/22/67/72/386226772.db2.gz RYXKPFHPXQTDRW-QWRGUYRKSA-N 2 1 230.352 1.101 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414710183 386226776 /nfs/dbraw/zinc/22/67/76/386226776.db2.gz RYXKPFHPXQTDRW-QWRGUYRKSA-N 2 1 230.352 1.101 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000414712060 386227507 /nfs/dbraw/zinc/22/75/07/386227507.db2.gz SGDHCMDKGNSDGM-RWMBFGLXSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000414712060 386227509 /nfs/dbraw/zinc/22/75/09/386227509.db2.gz SGDHCMDKGNSDGM-RWMBFGLXSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000414712057 386228034 /nfs/dbraw/zinc/22/80/34/386228034.db2.gz SGDHCMDKGNSDGM-AGIUHOORSA-N 2 1 228.380 1.453 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000414712057 386228038 /nfs/dbraw/zinc/22/80/38/386228038.db2.gz SGDHCMDKGNSDGM-AGIUHOORSA-N 2 1 228.380 1.453 20 0 BDADMP C[N@@H+](CCNC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000132259788 386229674 /nfs/dbraw/zinc/22/96/74/386229674.db2.gz IHNSAKQCDLTBGY-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000414713014 386229685 /nfs/dbraw/zinc/22/96/85/386229685.db2.gz VCTCVEXDXCKAIY-CQSZACIVSA-N 2 1 233.359 1.912 20 0 BDADMP C[C@@H](O)[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414712775 386230645 /nfs/dbraw/zinc/23/06/45/386230645.db2.gz OLUJMGAYDYQPAY-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)(C)n1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000347128095 386238183 /nfs/dbraw/zinc/23/81/83/386238183.db2.gz ZPTSRHOFFZSVGX-LLVKDONJSA-N 2 1 236.363 1.419 20 0 BDADMP CC(C)(C)n1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000347128095 386238187 /nfs/dbraw/zinc/23/81/87/386238187.db2.gz ZPTSRHOFFZSVGX-LLVKDONJSA-N 2 1 236.363 1.419 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000347134655 386239631 /nfs/dbraw/zinc/23/96/31/386239631.db2.gz SCKGEDKDFBKSNR-ZDUSSCGKSA-N 2 1 247.386 1.794 20 0 BDADMP COc1ccccc1/C=C\C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347094434 386246973 /nfs/dbraw/zinc/24/69/73/386246973.db2.gz HHYYMVHFVUWPEK-RYWCDNDXSA-N 2 1 246.354 1.989 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCOC1 ZINC000336647227 386258840 /nfs/dbraw/zinc/25/88/40/386258840.db2.gz FKFUREGGPURJRD-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336663626 386284696 /nfs/dbraw/zinc/28/46/96/386284696.db2.gz CPZMNYRPNJOMGG-VXGBXAGGSA-N 2 1 214.353 1.031 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000133257585 386286999 /nfs/dbraw/zinc/28/69/99/386286999.db2.gz QQGVPMWCOYGOQI-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000133257585 386287006 /nfs/dbraw/zinc/28/70/06/386287006.db2.gz QQGVPMWCOYGOQI-OLZOCXBDSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000236649216 386295638 /nfs/dbraw/zinc/29/56/38/386295638.db2.gz GINDQIBPYMWFRR-CYBMUJFWSA-N 2 1 249.358 1.143 20 0 BDADMP CO[C@H](C)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336660653 386299312 /nfs/dbraw/zinc/29/93/12/386299312.db2.gz AWVBAMRFZSYMHN-GFCCVEGCSA-N 2 1 228.380 1.826 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CC2(CO)CC2)CC[NH2+]1 ZINC000414739220 386322611 /nfs/dbraw/zinc/32/26/11/386322611.db2.gz KDBUXVZEQOJIQB-NWDGAFQWSA-N 2 1 226.364 1.079 20 0 BDADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414900004 386264999 /nfs/dbraw/zinc/26/49/99/386264999.db2.gz VJCXATMKHCHSGY-ZDUSSCGKSA-N 2 1 220.316 1.522 20 0 BDADMP CC[C@H]1C[C@H](C[N@@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000347163274 386266523 /nfs/dbraw/zinc/26/65/23/386266523.db2.gz IPJTXCJWFNQGOG-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]C)c1ccccc1 ZINC000236885671 386324035 /nfs/dbraw/zinc/32/40/35/386324035.db2.gz XGSFDANIMPWQJO-CYBMUJFWSA-N 2 1 249.358 1.015 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000414744855 386340503 /nfs/dbraw/zinc/34/05/03/386340503.db2.gz QHKWDNZGWMOVIU-KBPBESRZSA-N 2 1 241.423 1.632 20 0 BDADMP CC[C@]1(C)COCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414748613 386362208 /nfs/dbraw/zinc/36/22/08/386362208.db2.gz WWCPMOMKRHWRFU-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000414750900 386377839 /nfs/dbraw/zinc/37/78/39/386377839.db2.gz ZDDNRPZPXHNTBR-XUXIUFHCSA-N 2 1 242.407 1.841 20 0 BDADMP CC(C)COCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336697441 386381374 /nfs/dbraw/zinc/38/13/74/386381374.db2.gz SSWRIFNTCPBFLE-AWEZNQCLSA-N 2 1 242.407 1.933 20 0 BDADMP CC(C)COCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336697441 386381383 /nfs/dbraw/zinc/38/13/83/386381383.db2.gz SSWRIFNTCPBFLE-AWEZNQCLSA-N 2 1 242.407 1.933 20 0 BDADMP CC(C)COCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336697441 386381386 /nfs/dbraw/zinc/38/13/86/386381386.db2.gz SSWRIFNTCPBFLE-AWEZNQCLSA-N 2 1 242.407 1.933 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cc[nH]n2)CC[NH2+]1 ZINC000414740228 386330143 /nfs/dbraw/zinc/33/01/43/386330143.db2.gz KVCUMBPMKKRQIL-WDEREUQCSA-N 2 1 222.336 1.230 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000336677908 386330595 /nfs/dbraw/zinc/33/05/95/386330595.db2.gz ACYQAHLJMIWIHS-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc[nH]n2)CC[NH2+]1 ZINC000414740223 386331333 /nfs/dbraw/zinc/33/13/33/386331333.db2.gz KVCUMBPMKKRQIL-MNOVXSKESA-N 2 1 222.336 1.230 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)CCC[C@H](C)O)CC1 ZINC000336683912 386332069 /nfs/dbraw/zinc/33/20/69/386332069.db2.gz FKWLGBVINWEKDP-ZDUSSCGKSA-N 2 1 242.407 1.952 20 0 BDADMP [NH3+][C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000414903328 386333520 /nfs/dbraw/zinc/33/35/20/386333520.db2.gz ZMTVGIAPJZTULA-LBPRGKRZSA-N 2 1 248.326 1.285 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000230045311 386335806 /nfs/dbraw/zinc/33/58/06/386335806.db2.gz PLVZZJICBWFQJI-MELADBBJSA-N 2 1 231.343 1.641 20 0 BDADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336754447 386439733 /nfs/dbraw/zinc/43/97/33/386439733.db2.gz HIBQMXHUHBQYMI-UTUOFQBUSA-N 2 1 214.353 1.484 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000336754340 386440161 /nfs/dbraw/zinc/44/01/61/386440161.db2.gz FTHGAZVMTZZLOV-JHJVBQTASA-N 2 1 228.380 1.587 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414767636 386440547 /nfs/dbraw/zinc/44/05/47/386440547.db2.gz KABOOVQSKPKLRW-BETUJISGSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414753676 386388605 /nfs/dbraw/zinc/38/86/05/386388605.db2.gz QPLUXLMVDWURAZ-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647891476 386394101 /nfs/dbraw/zinc/39/41/01/386394101.db2.gz IOUUNAKUFZMHJR-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1F ZINC000415008583 386395126 /nfs/dbraw/zinc/39/51/26/386395126.db2.gz MWBBIDOVGYXAFO-UWVGGRQHSA-N 2 1 210.296 1.959 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000414754620 386396630 /nfs/dbraw/zinc/39/66/30/386396630.db2.gz GILNVYLFAJETRO-AVGNSLFASA-N 2 1 227.396 1.384 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@@H](C)C1 ZINC000347431523 386399838 /nfs/dbraw/zinc/39/98/38/386399838.db2.gz ODMAMDIQBDJWDJ-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCCO1 ZINC000336709001 386417055 /nfs/dbraw/zinc/41/70/55/386417055.db2.gz PJYIVTJGFWDFNH-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCCO1 ZINC000336709001 386417059 /nfs/dbraw/zinc/41/70/59/386417059.db2.gz PJYIVTJGFWDFNH-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCCCO1 ZINC000336709001 386417062 /nfs/dbraw/zinc/41/70/62/386417062.db2.gz PJYIVTJGFWDFNH-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCCCO1 ZINC000336709001 386417069 /nfs/dbraw/zinc/41/70/69/386417069.db2.gz PJYIVTJGFWDFNH-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336710705 386425807 /nfs/dbraw/zinc/42/58/07/386425807.db2.gz LKOXHGATAWNKGG-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336710705 386425814 /nfs/dbraw/zinc/42/58/14/386425814.db2.gz LKOXHGATAWNKGG-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336710705 386425821 /nfs/dbraw/zinc/42/58/21/386425821.db2.gz LKOXHGATAWNKGG-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H](C)C1 ZINC000415009702 386427362 /nfs/dbraw/zinc/42/73/62/386427362.db2.gz FOJBMTNAHXYUJO-RDBSUJKOSA-N 3 1 241.423 1.824 20 0 BDADMP CCN1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H](C)C1 ZINC000415009702 386427371 /nfs/dbraw/zinc/42/73/71/386427371.db2.gz FOJBMTNAHXYUJO-RDBSUJKOSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353528143 386469229 /nfs/dbraw/zinc/46/92/29/386469229.db2.gz NKWPJCSRBQYUNP-AAVRWANBSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336732590 386471430 /nfs/dbraw/zinc/47/14/30/386471430.db2.gz ZTIQETXGFGDPML-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP [NH3+]CC1(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775039 386473511 /nfs/dbraw/zinc/47/35/11/386473511.db2.gz GBARUHLFJMYRAF-QWHCGFSZSA-N 2 1 237.391 1.047 20 0 BDADMP NCC1(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775039 386473516 /nfs/dbraw/zinc/47/35/16/386473516.db2.gz GBARUHLFJMYRAF-QWHCGFSZSA-N 2 1 237.391 1.047 20 0 BDADMP NCC1(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000414775039 386473520 /nfs/dbraw/zinc/47/35/20/386473520.db2.gz GBARUHLFJMYRAF-QWHCGFSZSA-N 2 1 237.391 1.047 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@H]1[NH3+] ZINC000647934737 386478364 /nfs/dbraw/zinc/47/83/64/386478364.db2.gz OFUWKJUCWQLYBA-VXGBXAGGSA-N 2 1 234.347 1.053 20 0 BDADMP CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000519555301 386490950 /nfs/dbraw/zinc/49/09/50/386490950.db2.gz RDEFSKRTKUGEBY-VXGBXAGGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000519555301 386490953 /nfs/dbraw/zinc/49/09/53/386490953.db2.gz RDEFSKRTKUGEBY-VXGBXAGGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000519555301 386490955 /nfs/dbraw/zinc/49/09/55/386490955.db2.gz RDEFSKRTKUGEBY-VXGBXAGGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000519555301 386490960 /nfs/dbraw/zinc/49/09/60/386490960.db2.gz RDEFSKRTKUGEBY-VXGBXAGGSA-N 2 1 214.353 1.172 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)[C@H](C)C[NH3+])c1C ZINC000135296124 386499696 /nfs/dbraw/zinc/49/96/96/386499696.db2.gz MUGHCDYXLDHRPA-SNVBAGLBSA-N 2 1 237.347 1.486 20 0 BDADMP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415017688 386502873 /nfs/dbraw/zinc/50/28/73/386502873.db2.gz QKBRCYBPDWGHDN-NXEZZACHSA-N 2 1 210.296 1.959 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899192 386510011 /nfs/dbraw/zinc/51/00/11/386510011.db2.gz CGSUNCAMWPRBDG-RDBSUJKOSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899192 386510015 /nfs/dbraw/zinc/51/00/15/386510015.db2.gz CGSUNCAMWPRBDG-RDBSUJKOSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@H](c3cccnc3)C2)CC[NH2+]C1 ZINC000335449129 386516730 /nfs/dbraw/zinc/51/67/30/386516730.db2.gz VOUCUBPNXYPZDE-HUUCEWRRSA-N 2 1 245.370 1.871 20 0 BDADMP c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415030415 386519908 /nfs/dbraw/zinc/51/99/08/386519908.db2.gz CJQFZVWVWRHOTD-CYBMUJFWSA-N 2 1 220.316 1.155 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977953 386576924 /nfs/dbraw/zinc/57/69/24/386576924.db2.gz KDOCRFBKWNXLRR-OLZOCXBDSA-N 2 1 240.391 1.469 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000417363043 386578055 /nfs/dbraw/zinc/57/80/55/386578055.db2.gz LDUYGKWIVYQHFW-MELADBBJSA-N 2 1 242.407 1.977 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000414921308 386580991 /nfs/dbraw/zinc/58/09/91/386580991.db2.gz DJDSMMHDURODGZ-VWYCJHECSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@H](C[NH2+]Cc1cccc2nccn21)C[NH+](C)C ZINC000291781042 386582572 /nfs/dbraw/zinc/58/25/72/386582572.db2.gz UVTYTZRTYOCZBB-GFCCVEGCSA-N 2 1 246.358 1.622 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000278799454 386587702 /nfs/dbraw/zinc/58/77/02/386587702.db2.gz QYOOJCSSMPLVDM-TXEJJXNPSA-N 2 1 217.316 1.388 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000278799454 386587710 /nfs/dbraw/zinc/58/77/10/386587710.db2.gz QYOOJCSSMPLVDM-TXEJJXNPSA-N 2 1 217.316 1.388 20 0 BDADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000453404239 386588799 /nfs/dbraw/zinc/58/87/99/386588799.db2.gz PJJTXSQWQCWIGB-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1F ZINC000414800957 386590839 /nfs/dbraw/zinc/59/08/39/386590839.db2.gz LRJXXZWIEGJJSK-ZDUSSCGKSA-N 2 1 222.307 1.961 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)CC[N@@H+]1C ZINC000300415251 386593881 /nfs/dbraw/zinc/59/38/81/386593881.db2.gz UDAZZPVCYSWMMR-ZZVYKPCYSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)CC[N@H+]1C ZINC000300415251 386593888 /nfs/dbraw/zinc/59/38/88/386593888.db2.gz UDAZZPVCYSWMMR-ZZVYKPCYSA-N 2 1 238.375 1.626 20 0 BDADMP Cn1cncc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335421850 386593971 /nfs/dbraw/zinc/59/39/71/386593971.db2.gz GAXXCEDDDYQMBD-PWSUYJOCSA-N 2 1 221.304 1.031 20 0 BDADMP C[NH+](C)CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911893 386531714 /nfs/dbraw/zinc/53/17/14/386531714.db2.gz HTLRVMZNXGHYBH-AWEZNQCLSA-N 2 1 239.407 1.260 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1cccnc1)C1CCCC1 ZINC000415064721 386544389 /nfs/dbraw/zinc/54/43/89/386544389.db2.gz LHRQESADMGGTHP-CYBMUJFWSA-N 2 1 219.332 1.689 20 0 BDADMP [NH3+]C[C@H]([NH2+]C1CCSCC1)C1CCCC1 ZINC000415062266 386545686 /nfs/dbraw/zinc/54/56/86/386545686.db2.gz FCIYMPALOGBSLR-LBPRGKRZSA-N 2 1 228.405 1.989 20 0 BDADMP C[C@H](CC1CCCCC1)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415064447 386546075 /nfs/dbraw/zinc/54/60/75/386546075.db2.gz CNXNYCCVZWHIKI-OCCSQVGLSA-N 2 1 242.407 1.844 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000647995246 386546556 /nfs/dbraw/zinc/54/65/56/386546556.db2.gz IZWXZKPPCASQOD-MGPQQGTHSA-N 2 1 238.375 1.487 20 0 BDADMP [NH3+]C[C@H]([NH2+]C1CCC([NH3+])CC1)C1CCCC1 ZINC000415068963 386550407 /nfs/dbraw/zinc/55/04/07/386550407.db2.gz RXGKMQWFLLZWNV-BPCQOVAHSA-N 3 1 225.380 1.363 20 0 BDADMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)s1 ZINC000414793805 386554793 /nfs/dbraw/zinc/55/47/93/386554793.db2.gz FANIWPWTDIILAW-NSHDSACASA-N 2 1 210.346 1.883 20 0 BDADMP C[C@@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+](C)C ZINC000291634728 386559885 /nfs/dbraw/zinc/55/98/85/386559885.db2.gz ARDNEWPHMRDMSC-VIFPVBQESA-N 2 1 233.319 1.568 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH2+]CC1 ZINC000415073372 386561312 /nfs/dbraw/zinc/56/13/12/386561312.db2.gz AZKMKFMVMMGREZ-ZDUSSCGKSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCCNC2)CC[NH2+]1 ZINC000415073550 386564267 /nfs/dbraw/zinc/56/42/67/386564267.db2.gz NPQCICIGZDHHSX-JHJVBQTASA-N 2 1 225.380 1.106 20 0 BDADMP CCOc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414793309 386564781 /nfs/dbraw/zinc/56/47/81/386564781.db2.gz UKLDUXIJZXAMCJ-UHFFFAOYSA-N 2 1 234.343 1.927 20 0 BDADMP COCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976215 386572725 /nfs/dbraw/zinc/57/27/25/386572725.db2.gz LMRYDXZFTHANDG-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000414801844 386602443 /nfs/dbraw/zinc/60/24/43/386602443.db2.gz MIEVBNZTVPWAKO-WPRPVWTQSA-N 2 1 244.289 1.495 20 0 BDADMP CC(C)C[C@@H]([NH3+])CNCC[N@@H+](C)C1CCCC1 ZINC000415087198 386606787 /nfs/dbraw/zinc/60/67/87/386606787.db2.gz VNJGSHMXKYUYAR-CYBMUJFWSA-N 2 1 241.423 1.824 20 0 BDADMP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000415091631 386610869 /nfs/dbraw/zinc/61/08/69/386610869.db2.gz ZLROFLOTBGFPRI-KGLIPLIRSA-N 2 1 233.359 1.773 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[NH2+]C1 ZINC000415090215 386611040 /nfs/dbraw/zinc/61/10/40/386611040.db2.gz YQNXEPFJJVLCID-NSHDSACASA-N 2 1 214.353 1.127 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414807853 386612431 /nfs/dbraw/zinc/61/24/31/386612431.db2.gz RPNJBTPMTTYTEF-MNOVXSKESA-N 2 1 222.336 1.325 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1CCO ZINC000415096381 386614774 /nfs/dbraw/zinc/61/47/74/386614774.db2.gz PQGKNQMXOTYLSA-RYUDHWBXSA-N 2 1 214.353 1.207 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000414820267 386664207 /nfs/dbraw/zinc/66/42/07/386664207.db2.gz BUFDNNAUHCKDJA-VXGBXAGGSA-N 2 1 206.333 1.988 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CCO)CC2)c2ccccc21 ZINC000097817690 386664498 /nfs/dbraw/zinc/66/44/98/386664498.db2.gz IIYJZIFTUBWIKK-ZIAGYGMSSA-N 2 1 246.354 1.883 20 0 BDADMP C[C@H]([NH3+])c1ccc(CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000414818650 386668597 /nfs/dbraw/zinc/66/85/97/386668597.db2.gz WIMSXGGYWHYUPE-WFASDCNBSA-N 2 1 247.386 1.938 20 0 BDADMP C1C[C@@]2(CO1)CCC[N@H+]([C@H]1CCC[NH2+]CC1)C2 ZINC000335525689 386668929 /nfs/dbraw/zinc/66/89/29/386668929.db2.gz PSBLZUOIWQIBSG-KBPBESRZSA-N 2 1 238.375 1.631 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000414821978 386670689 /nfs/dbraw/zinc/67/06/89/386670689.db2.gz FVXFVGLDDIEQPA-AWEZNQCLSA-N 2 1 248.370 1.752 20 0 BDADMP C[C@@H](C[NH2+][C@H](C)C[NH3+])CC1CCOCC1 ZINC000414926950 386685048 /nfs/dbraw/zinc/68/50/48/386685048.db2.gz KGXUSZRWDUQQEH-GHMZBOCLSA-N 2 1 214.353 1.376 20 0 BDADMP C[NH2+]CC[NH2+]CCCCOc1ccccc1 ZINC000414828627 386698023 /nfs/dbraw/zinc/69/80/23/386698023.db2.gz LBEWQOFNOFSYLF-UHFFFAOYSA-N 2 1 222.332 1.655 20 0 BDADMP C[NH2+]C[C@@H](C)CNCc1cnc2ccc(C)cn12 ZINC000414830194 386705804 /nfs/dbraw/zinc/70/58/04/386705804.db2.gz BYBWOHHSIKHKIT-GFCCVEGCSA-N 3 1 246.358 1.588 20 0 BDADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCOCC[NH3+] ZINC000357071225 386707398 /nfs/dbraw/zinc/70/73/98/386707398.db2.gz JNGSCYUIFPOOLH-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP CO[C@@]1(C)C[C@H]([N@@H+](C)CCOCC[NH3+])C1(C)C ZINC000357080441 386708746 /nfs/dbraw/zinc/70/87/46/386708746.db2.gz MIWHJIDWNDBMTM-AAEUAGOBSA-N 2 1 244.379 1.097 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000414837541 386733933 /nfs/dbraw/zinc/73/39/33/386733933.db2.gz XVDLSALFELSMLV-JTQLQIEISA-N 2 1 210.296 1.566 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@H]1CCSC1 ZINC000414840563 386740041 /nfs/dbraw/zinc/74/00/41/386740041.db2.gz MLRHYQAXIMAKGU-MNOVXSKESA-N 2 1 216.394 1.703 20 0 BDADMP CCS[C@H]1CC[C@H]([N@@H+](C)CCOCC[NH3+])C1 ZINC000357090227 386715554 /nfs/dbraw/zinc/71/55/54/386715554.db2.gz ZZFYZHLQKHADOA-RYUDHWBXSA-N 2 1 246.420 1.568 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[NH2+]C)C[C@@H]1C ZINC000414832891 386721309 /nfs/dbraw/zinc/72/13/09/386721309.db2.gz RNRXQDSUONHDLU-SDDRHHMPSA-N 2 1 242.363 1.163 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000044528006 386725174 /nfs/dbraw/zinc/72/51/74/386725174.db2.gz GHTUYFUNKGGGOK-CYBMUJFWSA-N 2 1 246.354 1.792 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414840098 386746705 /nfs/dbraw/zinc/74/67/05/386746705.db2.gz MGNHPSLKPZHIFU-WDEREUQCSA-N 2 1 202.342 1.374 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414842107 386750023 /nfs/dbraw/zinc/75/00/23/386750023.db2.gz NRVMWZIWQALHIZ-FRRDWIJNSA-N 3 1 227.396 1.338 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414843671 386765434 /nfs/dbraw/zinc/76/54/34/386765434.db2.gz KCZZMUDGEZTKCJ-VXGBXAGGSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1sccc1OC ZINC000414843964 386765969 /nfs/dbraw/zinc/76/59/69/386765969.db2.gz QTSVPBLQLWRHOI-VIFPVBQESA-N 2 1 228.361 1.702 20 0 BDADMP CC[C@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC000414929754 386743078 /nfs/dbraw/zinc/74/30/78/386743078.db2.gz RZLMJEQQGVATAN-UPJWGTAASA-N 2 1 226.364 1.533 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125266881 386770417 /nfs/dbraw/zinc/77/04/17/386770417.db2.gz XPJKLPCOWUGVSN-YUTCNCBUSA-N 2 1 249.358 1.851 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192463005 386770302 /nfs/dbraw/zinc/77/03/02/386770302.db2.gz YNSSNUZMQMKBOJ-XQQFMLRXSA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192462983 386770485 /nfs/dbraw/zinc/77/04/85/386770485.db2.gz YNSSNUZMQMKBOJ-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000191163409 386771284 /nfs/dbraw/zinc/77/12/84/386771284.db2.gz BSCBFNJPFCSRII-UPJWGTAASA-N 2 1 240.391 1.704 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@@H](O)CN(C)C1CC1 ZINC000336666697 386773715 /nfs/dbraw/zinc/77/37/15/386773715.db2.gz QAVVYOREGWOMTH-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336666697 386773721 /nfs/dbraw/zinc/77/37/21/386773721.db2.gz QAVVYOREGWOMTH-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336666697 386773733 /nfs/dbraw/zinc/77/37/33/386773733.db2.gz QAVVYOREGWOMTH-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336666697 386773741 /nfs/dbraw/zinc/77/37/41/386773741.db2.gz QAVVYOREGWOMTH-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336666697 386773746 /nfs/dbraw/zinc/77/37/46/386773746.db2.gz QAVVYOREGWOMTH-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000395000925 386799426 /nfs/dbraw/zinc/79/94/26/386799426.db2.gz JKJVSJYIESRHFE-CRWXNKLISA-N 2 1 242.407 1.977 20 0 BDADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)oc1C ZINC000125352011 386800825 /nfs/dbraw/zinc/80/08/25/386800825.db2.gz OXPGAPWMRFQOPS-XQQFMLRXSA-N 2 1 249.358 1.851 20 0 BDADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)oc1C ZINC000125352011 386800830 /nfs/dbraw/zinc/80/08/30/386800830.db2.gz OXPGAPWMRFQOPS-XQQFMLRXSA-N 2 1 249.358 1.851 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000336671103 386812178 /nfs/dbraw/zinc/81/21/78/386812178.db2.gz NQPPLSCHZVCXIA-JHJVBQTASA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000336671103 386812182 /nfs/dbraw/zinc/81/21/82/386812182.db2.gz NQPPLSCHZVCXIA-JHJVBQTASA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000336671118 386812987 /nfs/dbraw/zinc/81/29/87/386812987.db2.gz NQPPLSCHZVCXIA-XQQFMLRXSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000336671118 386812994 /nfs/dbraw/zinc/81/29/94/386812994.db2.gz NQPPLSCHZVCXIA-XQQFMLRXSA-N 2 1 228.380 1.730 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000334775023 386826949 /nfs/dbraw/zinc/82/69/49/386826949.db2.gz ARAHRNGFNAQJFE-GFCCVEGCSA-N 2 1 244.342 1.734 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000414936770 386840342 /nfs/dbraw/zinc/84/03/42/386840342.db2.gz DEFFGIIIPBKEIV-AAVRWANBSA-N 2 1 240.391 1.922 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCOC2)C1)[C@@H]1CC[NH2+]C1 ZINC000334783902 386842122 /nfs/dbraw/zinc/84/21/22/386842122.db2.gz DMSPJYNOFPQBCC-QWHCGFSZSA-N 2 1 224.348 1.098 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000331528717 386864735 /nfs/dbraw/zinc/86/47/35/386864735.db2.gz DAWKCDDJGRJXEC-BFHYXJOUSA-N 2 1 239.407 1.768 20 0 BDADMP CC(C)C(C[NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)C ZINC000341295748 386866032 /nfs/dbraw/zinc/86/60/32/386866032.db2.gz YTYPQNRZIBOYRR-CQSZACIVSA-N 2 1 242.407 1.571 20 0 BDADMP CC(C)C(C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000341295748 386866036 /nfs/dbraw/zinc/86/60/36/386866036.db2.gz YTYPQNRZIBOYRR-CQSZACIVSA-N 2 1 242.407 1.571 20 0 BDADMP Cc1cc(C)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000334833070 386870495 /nfs/dbraw/zinc/87/04/95/386870495.db2.gz MNZHOVCDIHUMHO-WDNDVIMCSA-N 2 1 216.328 1.611 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)n1 ZINC000335747801 386870612 /nfs/dbraw/zinc/87/06/12/386870612.db2.gz FMKJNQYARVQHKM-NEPJUHHUSA-N 2 1 235.331 1.626 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)n1 ZINC000335747806 386870685 /nfs/dbraw/zinc/87/06/85/386870685.db2.gz FMKJNQYARVQHKM-RYUDHWBXSA-N 2 1 235.331 1.626 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000334837429 386878515 /nfs/dbraw/zinc/87/85/15/386878515.db2.gz MGKMGQFKCPTJEK-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358260304 386921477 /nfs/dbraw/zinc/92/14/77/386921477.db2.gz XQLXBYOAZKNRCK-UKRRQHHQSA-N 2 1 248.370 1.712 20 0 BDADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358260304 386921481 /nfs/dbraw/zinc/92/14/81/386921481.db2.gz XQLXBYOAZKNRCK-UKRRQHHQSA-N 2 1 248.370 1.712 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334866741 386924034 /nfs/dbraw/zinc/92/40/34/386924034.db2.gz CFBNXJIRPGGVLR-TZMCWYRMSA-N 2 1 248.374 1.682 20 0 BDADMP Cn1nccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334868488 386925945 /nfs/dbraw/zinc/92/59/45/386925945.db2.gz KJVZTVXRZYCAQO-OCCSQVGLSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1nccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334868488 386925950 /nfs/dbraw/zinc/92/59/50/386925950.db2.gz KJVZTVXRZYCAQO-OCCSQVGLSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000395111063 386929089 /nfs/dbraw/zinc/92/90/89/386929089.db2.gz BBPUTMNRIOAEBB-UHTWSYAYSA-N 2 1 226.364 1.268 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417886012 386935888 /nfs/dbraw/zinc/93/58/88/386935888.db2.gz VKNLISGVEGAXJN-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000161711733 386936065 /nfs/dbraw/zinc/93/60/65/386936065.db2.gz VULVPFOTTLWLPB-CMPLNLGQSA-N 2 1 205.305 1.251 20 0 BDADMP CO[C@H](C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921892 386967526 /nfs/dbraw/zinc/96/75/26/386967526.db2.gz LZXZBFIUXMAMSE-FKJOKYEKSA-N 2 1 226.364 1.578 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(O)c3)C2)C1 ZINC000292747704 386998305 /nfs/dbraw/zinc/99/83/05/386998305.db2.gz IDMJGJJHQWQAQM-OAHLLOKOSA-N 2 1 246.354 1.920 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(O)c3)C2)C1 ZINC000292747704 386998309 /nfs/dbraw/zinc/99/83/09/386998309.db2.gz IDMJGJJHQWQAQM-OAHLLOKOSA-N 2 1 246.354 1.920 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(O)c3)C2)C1 ZINC000292747704 386998313 /nfs/dbraw/zinc/99/83/13/386998313.db2.gz IDMJGJJHQWQAQM-OAHLLOKOSA-N 2 1 246.354 1.920 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(O)c3)C2)C1 ZINC000292747704 386998319 /nfs/dbraw/zinc/99/83/19/386998319.db2.gz IDMJGJJHQWQAQM-OAHLLOKOSA-N 2 1 246.354 1.920 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(O)c3)C2)C1 ZINC000292747704 386998322 /nfs/dbraw/zinc/99/83/22/386998322.db2.gz IDMJGJJHQWQAQM-OAHLLOKOSA-N 2 1 246.354 1.920 20 0 BDADMP CCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576730 387033221 /nfs/dbraw/zinc/03/32/21/387033221.db2.gz YAVKIKFJLVEZGG-OKILXGFUSA-N 2 1 246.354 1.737 20 0 BDADMP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576730 387033224 /nfs/dbraw/zinc/03/32/24/387033224.db2.gz YAVKIKFJLVEZGG-OKILXGFUSA-N 2 1 246.354 1.737 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000070171903 387046735 /nfs/dbraw/zinc/04/67/35/387046735.db2.gz MOJFEDLIVZKRLV-AAEUAGOBSA-N 2 1 234.343 1.951 20 0 BDADMP COCC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336764473 387050920 /nfs/dbraw/zinc/05/09/20/387050920.db2.gz QANCZEAQNUGHCY-NSHDSACASA-N 2 1 212.337 1.263 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000369595539 387056953 /nfs/dbraw/zinc/05/69/53/387056953.db2.gz DJNDZNUWJZGRMW-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000369595539 387056955 /nfs/dbraw/zinc/05/69/55/387056955.db2.gz DJNDZNUWJZGRMW-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369654301 387057726 /nfs/dbraw/zinc/05/77/26/387057726.db2.gz CPUYYNNVOGNHHE-RFGFWPKPSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369654301 387057732 /nfs/dbraw/zinc/05/77/32/387057732.db2.gz CPUYYNNVOGNHHE-RFGFWPKPSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369654301 387057735 /nfs/dbraw/zinc/05/77/35/387057735.db2.gz CPUYYNNVOGNHHE-RFGFWPKPSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@H](NC(=O)[C@@H]1CCCN1C)c1ncc[nH]1 ZINC000331294494 387009612 /nfs/dbraw/zinc/00/96/12/387009612.db2.gz YCWKUKOHJGJZBV-UWVGGRQHSA-N 2 1 236.319 1.071 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2nccn21 ZINC000333317958 387027176 /nfs/dbraw/zinc/02/71/76/387027176.db2.gz TZIDZNDZNOYWON-XQHKEYJVSA-N 2 1 248.374 1.996 20 0 BDADMP CC/C=C\CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766359 387070578 /nfs/dbraw/zinc/07/05/78/387070578.db2.gz NPBKERUJJDFPDD-GXMNPTEKSA-N 2 1 240.391 1.731 20 0 BDADMP CC/C=C/CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766360 387070643 /nfs/dbraw/zinc/07/06/43/387070643.db2.gz NPBKERUJJDFPDD-VBROQKIQSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400558841 387071123 /nfs/dbraw/zinc/07/11/23/387071123.db2.gz ZWQHPWPHWUEQSR-AEGPPILISA-N 2 1 248.370 1.320 20 0 BDADMP CC/C=C/CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766358 387071637 /nfs/dbraw/zinc/07/16/37/387071637.db2.gz NPBKERUJJDFPDD-GJBLVYBDSA-N 2 1 240.391 1.731 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000228155234 387078117 /nfs/dbraw/zinc/07/81/17/387078117.db2.gz UKUNSEXTDMTCDE-RDBSUJKOSA-N 2 1 238.375 1.628 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000228155234 387078119 /nfs/dbraw/zinc/07/81/19/387078119.db2.gz UKUNSEXTDMTCDE-RDBSUJKOSA-N 2 1 238.375 1.628 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000228155213 387079648 /nfs/dbraw/zinc/07/96/48/387079648.db2.gz APKUWKBEDXOJDC-IHRRRGAJSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C(C)C ZINC000228155213 387079651 /nfs/dbraw/zinc/07/96/51/387079651.db2.gz APKUWKBEDXOJDC-IHRRRGAJSA-N 2 1 240.391 1.874 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423300536 387131407 /nfs/dbraw/zinc/13/14/07/387131407.db2.gz RSKUFBNKNKGQEG-YNEHKIRRSA-N 2 1 227.396 1.434 20 0 BDADMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378754 387102230 /nfs/dbraw/zinc/10/22/30/387102230.db2.gz IVWHCQIKCFKMCA-LBPRGKRZSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000335007935 387103634 /nfs/dbraw/zinc/10/36/34/387103634.db2.gz BTGMHYYGJWJBIS-GXFFZTMASA-N 2 1 237.322 1.698 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000423300533 387131635 /nfs/dbraw/zinc/13/16/35/387131635.db2.gz RSKUFBNKNKGQEG-JHJVBQTASA-N 2 1 227.396 1.434 20 0 BDADMP CN(C[C@H](O)C[N@@H+](C)[C@H]1CC1(C)C)C1CC1 ZINC000352365140 387113998 /nfs/dbraw/zinc/11/39/98/387113998.db2.gz NOHDYTIHTFZISF-RYUDHWBXSA-N 2 1 226.364 1.172 20 0 BDADMP C[N@H+](C[C@H]1CCCOC1)C[C@H]1CCC[NH2+]C1 ZINC000250379995 387114800 /nfs/dbraw/zinc/11/48/00/387114800.db2.gz JBSFWFKUWFUXIL-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000335025733 387116766 /nfs/dbraw/zinc/11/67/66/387116766.db2.gz KPTLVZLKDWKOAQ-NEPJUHHUSA-N 2 1 205.305 1.359 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc(C)n1 ZINC000335027739 387121018 /nfs/dbraw/zinc/12/10/18/387121018.db2.gz IULPLKNWASQXQN-OLZOCXBDSA-N 2 1 219.332 1.668 20 0 BDADMP NC[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359215336 387067866 /nfs/dbraw/zinc/06/78/66/387067866.db2.gz JTXNOQKWBKEXHJ-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000359215336 387067873 /nfs/dbraw/zinc/06/78/73/387067873.db2.gz JTXNOQKWBKEXHJ-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423311017 387148478 /nfs/dbraw/zinc/14/84/78/387148478.db2.gz OWSNKIGPKQGVCU-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250804073 387171865 /nfs/dbraw/zinc/17/18/65/387171865.db2.gz KPJMDHQQYRRBSQ-BFHYXJOUSA-N 2 1 248.374 1.430 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000423328941 387173300 /nfs/dbraw/zinc/17/33/00/387173300.db2.gz OHHAJYIUWHCVFB-BREBYQMCSA-N 2 1 204.317 1.857 20 0 BDADMP COc1cccc2c1CCC[C@@H]2[NH2+]CC[NH3+] ZINC000643495777 387183193 /nfs/dbraw/zinc/18/31/93/387183193.db2.gz GGZXCJPCCXUOKQ-LBPRGKRZSA-N 2 1 220.316 1.621 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622102 387186701 /nfs/dbraw/zinc/18/67/01/387186701.db2.gz SXASEJPJSIIXQQ-MJBXVCDLSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@H]2CCC[C@@H]21 ZINC000423341196 387189363 /nfs/dbraw/zinc/18/93/63/387189363.db2.gz XUHMNGRVKFSCSH-AGIUHOORSA-N 2 1 237.391 1.330 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000370665022 387134014 /nfs/dbraw/zinc/13/40/14/387134014.db2.gz MLWHGGFZTOFZDM-NSHDSACASA-N 2 1 202.317 1.762 20 0 BDADMP C1CC([C@H]2CC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423302192 387134475 /nfs/dbraw/zinc/13/44/75/387134475.db2.gz JFIFRYGEGJYWTD-XQQFMLRXSA-N 2 1 208.349 1.907 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423304116 387136799 /nfs/dbraw/zinc/13/67/99/387136799.db2.gz JXJYTCVCKOJLET-ZOBORPQBSA-N 3 1 239.407 1.482 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423306389 387141122 /nfs/dbraw/zinc/14/11/22/387141122.db2.gz DXQVNRCTJRGOSY-YNEHKIRRSA-N 2 1 240.391 1.779 20 0 BDADMP CC[C@H](C[NH2+]C1CCC(O)CC1)[NH+]1CCCC1 ZINC000353444959 387202306 /nfs/dbraw/zinc/20/23/06/387202306.db2.gz HLZUYZNPILCMAU-ROKHWSDSSA-N 2 1 240.391 1.754 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423355431 387204977 /nfs/dbraw/zinc/20/49/77/387204977.db2.gz FLGVDRNFKQILJC-HZSPNIEDSA-N 2 1 237.391 1.345 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423355431 387204981 /nfs/dbraw/zinc/20/49/81/387204981.db2.gz FLGVDRNFKQILJC-HZSPNIEDSA-N 3 1 237.391 1.345 20 0 BDADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423355431 387204985 /nfs/dbraw/zinc/20/49/85/387204985.db2.gz FLGVDRNFKQILJC-HZSPNIEDSA-N 3 1 237.391 1.345 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000300414639 387207568 /nfs/dbraw/zinc/20/75/68/387207568.db2.gz NSPWEFBBXKTKHM-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000300414639 387207574 /nfs/dbraw/zinc/20/75/74/387207574.db2.gz NSPWEFBBXKTKHM-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000300414639 387207579 /nfs/dbraw/zinc/20/75/79/387207579.db2.gz NSPWEFBBXKTKHM-MCIONIFRSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423356836 387208479 /nfs/dbraw/zinc/20/84/79/387208479.db2.gz KXFAFMNQTGPHSP-LPWJVIDDSA-N 2 1 208.349 1.907 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C12CCC2 ZINC000423359176 387209503 /nfs/dbraw/zinc/20/95/03/387209503.db2.gz CTYOPRYSXAKACQ-GARJFASQSA-N 2 1 212.337 1.271 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[NH3+])CC2 ZINC000423359143 387210500 /nfs/dbraw/zinc/21/05/00/387210500.db2.gz CQAIDGJYBZWHTR-GXFFZTMASA-N 2 1 204.317 1.919 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423360682 387212062 /nfs/dbraw/zinc/21/20/62/387212062.db2.gz GDYSCGZHHLSZPZ-RVBZMBCESA-N 2 1 222.307 1.996 20 0 BDADMP COc1cccc(C[C@@H]([NH2+][C@@H](C)C[NH3+])C2CC2)c1 ZINC000423360471 387212968 /nfs/dbraw/zinc/21/29/68/387212968.db2.gz FNYIJMYVVRUMOE-XHDPSFHLSA-N 2 1 248.370 1.953 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccnn1C ZINC000423361151 387213731 /nfs/dbraw/zinc/21/37/31/387213731.db2.gz MCVCIAWNJYNEMR-WDEREUQCSA-N 2 1 222.336 1.213 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)C[NH3+] ZINC000423361413 387214041 /nfs/dbraw/zinc/21/40/41/387214041.db2.gz GQJAVDVKHNEHAQ-GARJFASQSA-N 2 1 214.353 1.517 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423363321 387215952 /nfs/dbraw/zinc/21/59/52/387215952.db2.gz BUMXJIPAKBLGHC-VOAKCMCISA-N 3 1 225.380 1.092 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000423366644 387219181 /nfs/dbraw/zinc/21/91/81/387219181.db2.gz CSFNHDVMNQQCBY-ZDEQEGDKSA-N 2 1 225.380 1.057 20 0 BDADMP C1C[C@@H]([N@H+]2C[C@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CO1 ZINC000371464046 387219941 /nfs/dbraw/zinc/21/99/41/387219941.db2.gz NXWCKYBZTHVKSX-AAVRWANBSA-N 2 1 236.359 1.191 20 0 BDADMP C1C[C@@H]([NH+]2C[C@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CO1 ZINC000371464046 387219949 /nfs/dbraw/zinc/21/99/49/387219949.db2.gz NXWCKYBZTHVKSX-AAVRWANBSA-N 2 1 236.359 1.191 20 0 BDADMP C1C[C@@H]([NH+]2C[C@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CO1 ZINC000371464046 387219950 /nfs/dbraw/zinc/21/99/50/387219950.db2.gz NXWCKYBZTHVKSX-AAVRWANBSA-N 2 1 236.359 1.191 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000423369320 387220831 /nfs/dbraw/zinc/22/08/31/387220831.db2.gz OHHAJYIUWHCVFB-KWBADKCTSA-N 2 1 204.317 1.857 20 0 BDADMP c1cnn([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000336409498 387238989 /nfs/dbraw/zinc/23/89/89/387238989.db2.gz YNOMDLSGJMVJSR-KGLIPLIRSA-N 2 1 248.374 1.520 20 0 BDADMP COC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C(C)C ZINC000423410925 387245268 /nfs/dbraw/zinc/24/52/68/387245268.db2.gz ASANTDRGZBENFR-OLZOCXBDSA-N 2 1 244.379 1.016 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000352478591 387246506 /nfs/dbraw/zinc/24/65/06/387246506.db2.gz YMHDCLWHHKEYFO-ZDUSSCGKSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416410 387249179 /nfs/dbraw/zinc/24/91/79/387249179.db2.gz CMTBAWWBWFIRAT-AAVRWANBSA-N 3 1 239.407 1.339 20 0 BDADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423429022 387255283 /nfs/dbraw/zinc/25/52/83/387255283.db2.gz JVPFCWRCVYQISA-MQFWEAQZSA-N 2 1 246.354 1.570 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423377070 387259954 /nfs/dbraw/zinc/25/99/54/387259954.db2.gz VRGAWXBGKIAUSQ-FZMZJTMJSA-N 2 1 218.344 1.945 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000423385733 387267942 /nfs/dbraw/zinc/26/79/42/387267942.db2.gz RAAKHCXBNZRJFH-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000423387294 387271008 /nfs/dbraw/zinc/27/10/08/387271008.db2.gz RWUYTAPPBYULPG-GMXVVIOVSA-N 2 1 236.363 1.694 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000423395167 387280594 /nfs/dbraw/zinc/28/05/94/387280594.db2.gz NGAGPHVSSLNMBN-BYNQJWBRSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CN1C1CC1 ZINC000423395167 387280600 /nfs/dbraw/zinc/28/06/00/387280600.db2.gz NGAGPHVSSLNMBN-BYNQJWBRSA-N 2 1 237.391 1.199 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352526383 387289062 /nfs/dbraw/zinc/28/90/62/387289062.db2.gz NBUUGZRFMAPANS-GFCCVEGCSA-N 2 1 222.336 1.421 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000423440686 387290307 /nfs/dbraw/zinc/29/03/07/387290307.db2.gz AWHNRBONPGEXSO-MWLCHTKSSA-N 2 1 236.315 1.803 20 0 BDADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423453705 387302129 /nfs/dbraw/zinc/30/21/29/387302129.db2.gz JVPFCWRCVYQISA-JSFFLRCESA-N 2 1 246.354 1.570 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+]CCC[NH+]2CCC2)CCO1 ZINC000514872488 387305499 /nfs/dbraw/zinc/30/54/99/387305499.db2.gz HYSYTHRVALQXLI-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)on1 ZINC000353995188 387307208 /nfs/dbraw/zinc/30/72/08/387307208.db2.gz HHHSDSFHKLFTLM-GXFFZTMASA-N 2 1 237.347 1.455 20 0 BDADMP C[C@@H]([NH2+]CCOCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400441905 387308948 /nfs/dbraw/zinc/30/89/48/387308948.db2.gz MTHNUYAFXOUMRO-HIFRSBDPSA-N 2 1 248.370 1.933 20 0 BDADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CCOCC1 ZINC000423527262 387355920 /nfs/dbraw/zinc/35/59/20/387355920.db2.gz MECIFFBRTJTLGE-BXUZGUMPSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423525519 387356768 /nfs/dbraw/zinc/35/67/68/387356768.db2.gz UHPGGYNIGIVIGH-MNOVXSKESA-N 2 1 240.372 1.777 20 0 BDADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cnn(C)c1 ZINC000423528543 387358283 /nfs/dbraw/zinc/35/82/83/387358283.db2.gz ONFXKEWTCUYMQR-ZDUSSCGKSA-N 2 1 236.363 1.603 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423530787 387359959 /nfs/dbraw/zinc/35/99/59/387359959.db2.gz ZFDOAMVSMHDQDZ-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000643502972 387368663 /nfs/dbraw/zinc/36/86/63/387368663.db2.gz WQKWIVHXXFQTLN-JHJVBQTASA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423561035 387375380 /nfs/dbraw/zinc/37/53/80/387375380.db2.gz PMFUZUXILWIALK-DGCLKSJQSA-N 2 1 222.332 1.942 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423573756 387380216 /nfs/dbraw/zinc/38/02/16/387380216.db2.gz ZLUIRENGTRIXIJ-YPMHNXCESA-N 3 1 225.380 1.236 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000373554373 387380832 /nfs/dbraw/zinc/38/08/32/387380832.db2.gz LLEWRAVOKUVBRR-NWDGAFQWSA-N 2 1 237.347 1.460 20 0 BDADMP COC(=O)CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372990798 387339432 /nfs/dbraw/zinc/33/94/32/387339432.db2.gz PPPFOGWGDXUUQN-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372990798 387339437 /nfs/dbraw/zinc/33/94/37/387339437.db2.gz PPPFOGWGDXUUQN-GFCCVEGCSA-N 2 1 242.363 1.356 20 0 BDADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CCOC1 ZINC000423505084 387342465 /nfs/dbraw/zinc/34/24/65/387342465.db2.gz HEPQYKVVIYAXRL-IHRRRGAJSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423511466 387347181 /nfs/dbraw/zinc/34/71/81/387347181.db2.gz TUMVBHPSWFCNCG-WCQGTBRESA-N 2 1 212.337 1.271 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423514137 387347513 /nfs/dbraw/zinc/34/75/13/387347513.db2.gz MBSZRXLWDQVWDS-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCC1 ZINC000423512692 387347816 /nfs/dbraw/zinc/34/78/16/387347816.db2.gz KXUOJTXEYWBIEE-OLZOCXBDSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H]1CCCO1 ZINC000423510981 387348553 /nfs/dbraw/zinc/34/85/53/387348553.db2.gz SYQCDWDVNJHDTE-UHTWSYAYSA-N 2 1 226.364 1.661 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000643501196 387349846 /nfs/dbraw/zinc/34/98/46/387349846.db2.gz ADKJAZSCQHOZIP-UPJWGTAASA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCSC2)C[NH2+]1 ZINC000306573031 387426876 /nfs/dbraw/zinc/42/68/76/387426876.db2.gz HXUZDOPKTPJPAP-MXWKQRLJSA-N 2 1 214.378 1.470 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423857586 387437823 /nfs/dbraw/zinc/43/78/23/387437823.db2.gz ZWLZFFAXNKTMQO-ZDUSSCGKSA-N 2 1 241.379 1.057 20 0 BDADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCO)CC2)C1CC1 ZINC000374312853 387440762 /nfs/dbraw/zinc/44/07/62/387440762.db2.gz SLGNKQROKGNCCU-GFCCVEGCSA-N 2 1 238.375 1.175 20 0 BDADMP COCC1([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000643470260 387445183 /nfs/dbraw/zinc/44/51/83/387445183.db2.gz KHRZTRYLSXQFDJ-STQMWFEESA-N 2 1 232.327 1.900 20 0 BDADMP CCC1(C)CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000361215059 387418005 /nfs/dbraw/zinc/41/80/05/387418005.db2.gz HQXDJMIXZFVEIV-MOKVOYLWSA-N 2 1 242.407 1.857 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](CC)C[C@H]1C ZINC000352658192 387422928 /nfs/dbraw/zinc/42/29/28/387422928.db2.gz DIIMKGXFZACRTQ-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000516492319 387516784 /nfs/dbraw/zinc/51/67/84/387516784.db2.gz VXLPOGYIWURVII-ZDEQEGDKSA-N 3 1 225.380 1.234 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000361804915 387538732 /nfs/dbraw/zinc/53/87/32/387538732.db2.gz PLKFJIIBWCYJEB-JHJVBQTASA-N 2 1 242.407 1.977 20 0 BDADMP CCc1ccc(C[NH2+]CCn2cc[nH+]c2C)cn1 ZINC000352780325 387479064 /nfs/dbraw/zinc/47/90/64/387479064.db2.gz OIKUKKXLMPJTRZ-UHFFFAOYSA-N 2 1 244.342 1.939 20 0 BDADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000643507827 387480266 /nfs/dbraw/zinc/48/02/66/387480266.db2.gz RAICIDYMSRRUNS-GHMZBOCLSA-N 2 1 212.337 1.143 20 0 BDADMP CO[C@H](C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000374690965 387481186 /nfs/dbraw/zinc/48/11/86/387481186.db2.gz BWLYUMZQSCRCTL-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@H](C)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000374690965 387481194 /nfs/dbraw/zinc/48/11/94/387481194.db2.gz BWLYUMZQSCRCTL-QWHCGFSZSA-N 2 1 240.391 1.970 20 0 BDADMP CCC1(O)CCC([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000643474200 387488750 /nfs/dbraw/zinc/48/87/50/387488750.db2.gz NHMKRRRDZUILEO-ZIHBUVQPSA-N 2 1 240.391 1.658 20 0 BDADMP Cc1cnn(CC[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000336722301 387581634 /nfs/dbraw/zinc/58/16/34/387581634.db2.gz YCWMTGKGRYUPKM-CYBMUJFWSA-N 2 1 238.379 1.497 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccn1 ZINC000527535195 387628397 /nfs/dbraw/zinc/62/83/97/387628397.db2.gz QIFAVMWYKQCIKV-CQSZACIVSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccn1 ZINC000527535195 387628400 /nfs/dbraw/zinc/62/84/00/387628400.db2.gz QIFAVMWYKQCIKV-CQSZACIVSA-N 2 1 233.359 1.774 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643514293 387598857 /nfs/dbraw/zinc/59/88/57/387598857.db2.gz DGEPXSWBWWOFMT-OCCSQVGLSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000422558114 387600940 /nfs/dbraw/zinc/60/09/40/387600940.db2.gz ADJZZMWXUCCPFS-MXWKQRLJSA-N 2 1 222.336 1.215 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc[nH]n2)C[C@@H]1C[NH3+] ZINC000422558114 387600944 /nfs/dbraw/zinc/60/09/44/387600944.db2.gz ADJZZMWXUCCPFS-MXWKQRLJSA-N 2 1 222.336 1.215 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561074 387602678 /nfs/dbraw/zinc/60/26/78/387602678.db2.gz IVZHOGMHWBPNQJ-NAWOPXAZSA-N 2 1 210.365 1.948 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422715586 387629209 /nfs/dbraw/zinc/62/92/09/387629209.db2.gz SOIKNQAOQPQBGK-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP CC(C)OC(=O)CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422632260 387611275 /nfs/dbraw/zinc/61/12/75/387611275.db2.gz GNPGBHMHPVPHFN-UHFFFAOYSA-N 2 1 240.347 1.156 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422694300 387613859 /nfs/dbraw/zinc/61/38/59/387613859.db2.gz NSQCTRMRPMOITA-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422700639 387615839 /nfs/dbraw/zinc/61/58/39/387615839.db2.gz AMYRHQHBHRGFHV-CYZMBNFOSA-N 2 1 228.380 1.371 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422702982 387618182 /nfs/dbraw/zinc/61/81/82/387618182.db2.gz LZSOHIGRMMKWBQ-VHSXEESVSA-N 2 1 223.320 1.427 20 0 BDADMP C[C@H]([NH2+]CC1CCC1)c1c[nH+]ccc1N ZINC000422707979 387619873 /nfs/dbraw/zinc/61/98/73/387619873.db2.gz BCOJZKGHDNPGNE-VIFPVBQESA-N 2 1 205.305 1.945 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000527532932 387622618 /nfs/dbraw/zinc/62/26/18/387622618.db2.gz QQFCKHDLIXDMEQ-DCAQKATOSA-N 2 1 210.321 1.038 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000305651449 387624101 /nfs/dbraw/zinc/62/41/01/387624101.db2.gz CDFYVSCOOLYWIO-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](O)CC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000305651449 387624104 /nfs/dbraw/zinc/62/41/04/387624104.db2.gz CDFYVSCOOLYWIO-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H](O)CC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000305651449 387624107 /nfs/dbraw/zinc/62/41/07/387624107.db2.gz CDFYVSCOOLYWIO-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305111205 387555747 /nfs/dbraw/zinc/55/57/47/387555747.db2.gz CZMNGSKMQOQLFI-MCIONIFRSA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)COC)[C@@H](C)C1 ZINC000426339922 387556595 /nfs/dbraw/zinc/55/65/95/387556595.db2.gz YDQNNIBFKMXJFO-QWHCGFSZSA-N 2 1 242.407 1.979 20 0 BDADMP Cn1nccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000036901205 387558114 /nfs/dbraw/zinc/55/81/14/387558114.db2.gz SMOKOHGJFGTQQN-UHFFFAOYSA-N 2 1 236.363 1.386 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOC(C)C)C1 ZINC000430625498 387635801 /nfs/dbraw/zinc/63/58/01/387635801.db2.gz JNKZWXJENRNNJJ-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP CCOCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422724653 387637089 /nfs/dbraw/zinc/63/70/89/387637089.db2.gz WJGLCWOEBPPIJP-VXGBXAGGSA-N 2 1 214.353 1.391 20 0 BDADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)C1C[NH2+]C1 ZINC000422729319 387639362 /nfs/dbraw/zinc/63/93/62/387639362.db2.gz KKICXXWOTUECHC-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000422736322 387644137 /nfs/dbraw/zinc/64/41/37/387644137.db2.gz VXGBTNLSKIMGIB-UTUOFQBUSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422737405 387645971 /nfs/dbraw/zinc/64/59/71/387645971.db2.gz IAOIYJJKTMDZLR-LOWVWBTDSA-N 2 1 225.380 1.199 20 0 BDADMP CC[C@H]1C[N@H+](CCNc2cc[nH+]c(C)c2)CCO1 ZINC000362658909 387646014 /nfs/dbraw/zinc/64/60/14/387646014.db2.gz SYFGVDDYVVANET-AWEZNQCLSA-N 2 1 249.358 1.335 20 0 BDADMP CC[C@H]1C[N@@H+](CCNc2cc[nH+]c(C)c2)CCO1 ZINC000362658909 387646018 /nfs/dbraw/zinc/64/60/18/387646018.db2.gz SYFGVDDYVVANET-AWEZNQCLSA-N 2 1 249.358 1.335 20 0 BDADMP COC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000125186268 387646522 /nfs/dbraw/zinc/64/65/22/387646522.db2.gz RJNWOJLUENXGSN-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000125186030 387646934 /nfs/dbraw/zinc/64/69/34/387646934.db2.gz RJNWOJLUENXGSN-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cn[nH]c1 ZINC000305755708 387647016 /nfs/dbraw/zinc/64/70/16/387647016.db2.gz FUXADSXQNOSDNF-GFCCVEGCSA-N 2 1 236.363 1.936 20 0 BDADMP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430749870 387647116 /nfs/dbraw/zinc/64/71/16/387647116.db2.gz XTFAACKQDDHCQH-QWRGUYRKSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422745442 387648478 /nfs/dbraw/zinc/64/84/78/387648478.db2.gz VEENQLOZTAADBS-HZSPNIEDSA-N 2 1 239.407 1.576 20 0 BDADMP COCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422741877 387649072 /nfs/dbraw/zinc/64/90/72/387649072.db2.gz FISJDTVNCMAWBO-YPMHNXCESA-N 2 1 222.332 1.181 20 0 BDADMP CCC(CC)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000149321652 387650258 /nfs/dbraw/zinc/65/02/58/387650258.db2.gz RGOPMINPPRAJTA-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP CCC(CC)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000149321652 387650264 /nfs/dbraw/zinc/65/02/64/387650264.db2.gz RGOPMINPPRAJTA-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP CSCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422749923 387655059 /nfs/dbraw/zinc/65/50/59/387655059.db2.gz BMGHLKGCOATEHF-VHSXEESVSA-N 2 1 202.367 1.327 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000422750723 387656693 /nfs/dbraw/zinc/65/66/93/387656693.db2.gz DOGPBINQZWJKHE-QWHCGFSZSA-N 2 1 220.316 1.535 20 0 BDADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1(C)C ZINC000422758032 387661117 /nfs/dbraw/zinc/66/11/17/387661117.db2.gz DQIBDXLGZXXUFI-FRRDWIJNSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1C[NH2+]C1 ZINC000422758746 387661277 /nfs/dbraw/zinc/66/12/77/387661277.db2.gz OHONCNHNOGRGIP-JTQLQIEISA-N 2 1 248.326 1.155 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCCC[N@H+]1CCCC[C@H]1C ZINC000422759731 387662621 /nfs/dbraw/zinc/66/26/21/387662621.db2.gz GARNEAVVGJKHTE-BFHYXJOUSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000422759731 387662626 /nfs/dbraw/zinc/66/26/26/387662626.db2.gz GARNEAVVGJKHTE-BFHYXJOUSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000422759731 387662632 /nfs/dbraw/zinc/66/26/32/387662632.db2.gz GARNEAVVGJKHTE-BFHYXJOUSA-N 3 1 241.423 1.966 20 0 BDADMP CN(CC[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430939414 387663924 /nfs/dbraw/zinc/66/39/24/387663924.db2.gz GCFHBSXGQNPTNR-CYBMUJFWSA-N 2 1 233.359 1.403 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422764128 387665045 /nfs/dbraw/zinc/66/50/45/387665045.db2.gz UOBKQQRAOVDZPV-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP CSCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362925752 387674808 /nfs/dbraw/zinc/67/48/08/387674808.db2.gz LXDWCRLSNGSDNW-AGIUHOORSA-N 2 1 240.416 1.766 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362925752 387674811 /nfs/dbraw/zinc/67/48/11/387674811.db2.gz LXDWCRLSNGSDNW-AGIUHOORSA-N 2 1 240.416 1.766 20 0 BDADMP CSCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362925752 387674819 /nfs/dbraw/zinc/67/48/19/387674819.db2.gz LXDWCRLSNGSDNW-AGIUHOORSA-N 2 1 240.416 1.766 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422776808 387675823 /nfs/dbraw/zinc/67/58/23/387675823.db2.gz DNSJMXKAYJZDHF-AXFHLTTASA-N 3 1 201.358 1.042 20 0 BDADMP CC[C@@H](F)CN1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000440711267 387677590 /nfs/dbraw/zinc/67/75/90/387677590.db2.gz INMOKVCCXWHVOB-NWDGAFQWSA-N 2 1 246.370 1.512 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422780564 387678380 /nfs/dbraw/zinc/67/83/80/387678380.db2.gz KIZAVDJXCZAMKT-XUXIUFHCSA-N 2 1 239.407 1.589 20 0 BDADMP CC(C)Cn1ccnc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422782385 387680613 /nfs/dbraw/zinc/68/06/13/387680613.db2.gz LXPBMOSCRSGQQG-RYUDHWBXSA-N 2 1 238.379 1.755 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422782433 387681717 /nfs/dbraw/zinc/68/17/17/387681717.db2.gz MYHGBYHMHHSKSK-TUAOUCFPSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422787235 387687237 /nfs/dbraw/zinc/68/72/37/387687237.db2.gz UEZRQXDWJVVKHX-GXFFZTMASA-N 2 1 237.347 1.552 20 0 BDADMP CCCC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422795206 387696509 /nfs/dbraw/zinc/69/65/09/387696509.db2.gz ZZBCWBREBHPSPI-CHWSQXEVSA-N 3 1 241.423 1.966 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422743798 387689715 /nfs/dbraw/zinc/68/97/15/387689715.db2.gz RWTOWDRIBUDBGW-MELADBBJSA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422743798 387689722 /nfs/dbraw/zinc/68/97/22/387689722.db2.gz RWTOWDRIBUDBGW-MELADBBJSA-N 3 1 241.423 1.822 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422743798 387689726 /nfs/dbraw/zinc/68/97/26/387689726.db2.gz RWTOWDRIBUDBGW-MELADBBJSA-N 3 1 241.423 1.822 20 0 BDADMP C[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000422743257 387691027 /nfs/dbraw/zinc/69/10/27/387691027.db2.gz RFEHUNWBAVOESV-MBNYWOFBSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000422743257 387691032 /nfs/dbraw/zinc/69/10/32/387691032.db2.gz RFEHUNWBAVOESV-MBNYWOFBSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422743782 387691234 /nfs/dbraw/zinc/69/12/34/387691234.db2.gz RVJYPWFCLFLZBD-YRGRVCCFSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422862916 387743463 /nfs/dbraw/zinc/74/34/63/387743463.db2.gz OFAPJCXSGMWNMR-MQYQWHSLSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CCCC[C@@H]1C ZINC000422862911 387743916 /nfs/dbraw/zinc/74/39/16/387743916.db2.gz OECOOLQGXNDCLW-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000422863819 387746660 /nfs/dbraw/zinc/74/66/60/387746660.db2.gz SHGDIHGEVJPELS-WCQYABFASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422864848 387746815 /nfs/dbraw/zinc/74/68/15/387746815.db2.gz WMCXWQYLFNHDIO-HZSPNIEDSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871383 387750362 /nfs/dbraw/zinc/75/03/62/387750362.db2.gz ZYKKWJFGZYPKMM-MELADBBJSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CCOC1 ZINC000128595808 387750816 /nfs/dbraw/zinc/75/08/16/387750816.db2.gz XEMWZAOQWCZMSF-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000422873821 387751669 /nfs/dbraw/zinc/75/16/69/387751669.db2.gz BFVOKIRQKHPTGC-XDQVBPFNSA-N 2 1 237.391 1.343 20 0 BDADMP COCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422873463 387751810 /nfs/dbraw/zinc/75/18/10/387751810.db2.gz AKUYUUNTZGXYCR-ZIAGYGMSSA-N 2 1 234.343 1.802 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000422872445 387752603 /nfs/dbraw/zinc/75/26/03/387752603.db2.gz HEAXUTXAGSMDHA-GRYCIOLGSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000422800583 387699502 /nfs/dbraw/zinc/69/95/02/387699502.db2.gz CIRVWQUBLUYGDD-QMMMGPOBSA-N 2 1 226.270 1.662 20 0 BDADMP CC[N@@H+](CCN[C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422876679 387754919 /nfs/dbraw/zinc/75/49/19/387754919.db2.gz GHPJUCKDWKNYKV-CHWSQXEVSA-N 2 1 227.396 1.447 20 0 BDADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422805832 387705424 /nfs/dbraw/zinc/70/54/24/387705424.db2.gz JSAXSVAEGGCZSQ-CABCVRRESA-N 3 1 247.386 1.718 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527782536 387710067 /nfs/dbraw/zinc/71/00/67/387710067.db2.gz FVUWMFVFFDIKHV-DGAVXFQQSA-N 2 1 238.375 1.770 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422814675 387713924 /nfs/dbraw/zinc/71/39/24/387713924.db2.gz VWLMGXNAVRDEHA-QWHCGFSZSA-N 2 1 242.407 1.763 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422817312 387714736 /nfs/dbraw/zinc/71/47/36/387714736.db2.gz CVIXQBNJZTXAFE-NWDGAFQWSA-N 2 1 213.369 1.188 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422830798 387723853 /nfs/dbraw/zinc/72/38/53/387723853.db2.gz DAQZHIDRBVIPRM-RQJABVFESA-N 3 1 239.407 1.576 20 0 BDADMP CCC[N@@H+](CC)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422832477 387726254 /nfs/dbraw/zinc/72/62/54/387726254.db2.gz XPXIHDBIDFBQEP-PBWFPOADSA-N 2 1 239.407 1.591 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000162989237 387730770 /nfs/dbraw/zinc/73/07/70/387730770.db2.gz NCRFDDAQEFVWAA-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000422851723 387736874 /nfs/dbraw/zinc/73/68/74/387736874.db2.gz FVBVFBWYTGCGIB-FRRDWIJNSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000422851723 387736879 /nfs/dbraw/zinc/73/68/79/387736879.db2.gz FVBVFBWYTGCGIB-FRRDWIJNSA-N 2 1 237.391 1.343 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1(C)C ZINC000422853093 387738612 /nfs/dbraw/zinc/73/86/12/387738612.db2.gz RWFQBRYXJILWAS-FDYHWXHSSA-N 2 1 240.391 1.920 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422859042 387740559 /nfs/dbraw/zinc/74/05/59/387740559.db2.gz JLZZOSQWQXNHBM-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422859042 387740564 /nfs/dbraw/zinc/74/05/64/387740564.db2.gz JLZZOSQWQXNHBM-MGPQQGTHSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422858817 387741144 /nfs/dbraw/zinc/74/11/44/387741144.db2.gz IVPYSICRBCGFGS-OLZOCXBDSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422858817 387741151 /nfs/dbraw/zinc/74/11/51/387741151.db2.gz IVPYSICRBCGFGS-OLZOCXBDSA-N 3 1 239.407 1.720 20 0 BDADMP CO[C@@H](C)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422898813 387766038 /nfs/dbraw/zinc/76/60/38/387766038.db2.gz GCXYYWZNABABJT-VHSXEESVSA-N 2 1 223.320 1.570 20 0 BDADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527511 387766333 /nfs/dbraw/zinc/76/63/33/387766333.db2.gz NVJLZBOFDNREHT-GZMMTYOYSA-N 2 1 238.306 1.758 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422910920 387769666 /nfs/dbraw/zinc/76/96/66/387769666.db2.gz RVYFGBZRHFSMMT-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422910920 387769670 /nfs/dbraw/zinc/76/96/70/387769670.db2.gz RVYFGBZRHFSMMT-MJBXVCDLSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422912048 387771358 /nfs/dbraw/zinc/77/13/58/387771358.db2.gz VBKMQCPWVSFZOY-RDBSUJKOSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422912040 387771569 /nfs/dbraw/zinc/77/15/69/387771569.db2.gz VABUOIXBAKLJSJ-MJBXVCDLSA-N 2 1 241.423 1.966 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000643528726 387771742 /nfs/dbraw/zinc/77/17/42/387771742.db2.gz NPOMIHDLDMUXOA-UWVGGRQHSA-N 2 1 208.305 1.177 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000643529248 387771765 /nfs/dbraw/zinc/77/17/65/387771765.db2.gz XNCSBEDQPZWJNZ-UFBFGSQYSA-N 2 1 208.280 1.750 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422916088 387773326 /nfs/dbraw/zinc/77/33/26/387773326.db2.gz ZXOBAOISZZZYAU-STQMWFEESA-N 2 1 236.363 1.653 20 0 BDADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528089 387774624 /nfs/dbraw/zinc/77/46/24/387774624.db2.gz ZIRVSEVRUUCANS-MDZLAQPJSA-N 2 1 222.332 1.699 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-n2cccn2)cc1 ZINC000643529122 387775060 /nfs/dbraw/zinc/77/50/60/387775060.db2.gz VOSKHCDVILHTRF-NWDGAFQWSA-N 2 1 244.342 1.870 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccco1 ZINC000422962126 387812228 /nfs/dbraw/zinc/81/22/28/387812228.db2.gz DXMOHORZOYDOSP-CMPLNLGQSA-N 2 1 208.305 1.410 20 0 BDADMP OC1CC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000432408935 387787151 /nfs/dbraw/zinc/78/71/51/387787151.db2.gz DJDBOEGSUPEKGV-YIFLHPOLSA-N 2 1 238.375 1.364 20 0 BDADMP CCOCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422902394 387787244 /nfs/dbraw/zinc/78/72/44/387787244.db2.gz UPPQYQIMOIROAQ-TZMCWYRMSA-N 2 1 236.359 1.571 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422978910 387788621 /nfs/dbraw/zinc/78/86/21/387788621.db2.gz KWWPRBPEZAJICH-UTUOFQBUSA-N 2 1 214.353 1.124 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422977310 387789007 /nfs/dbraw/zinc/78/90/07/387789007.db2.gz WQFYUERHUQCIQZ-CHWSQXEVSA-N 3 1 227.396 1.435 20 0 BDADMP CCCOc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cn1 ZINC000422978949 387789146 /nfs/dbraw/zinc/78/91/46/387789146.db2.gz LCRJIBATKGLATM-LLVKDONJSA-N 2 1 249.358 1.568 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527974211 387813043 /nfs/dbraw/zinc/81/30/43/387813043.db2.gz MJRCHHRKJJQQIF-XQHKEYJVSA-N 2 1 226.364 1.626 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527974211 387813048 /nfs/dbraw/zinc/81/30/48/387813048.db2.gz MJRCHHRKJJQQIF-XQHKEYJVSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000422984463 387795442 /nfs/dbraw/zinc/79/54/42/387795442.db2.gz AZLAAYQEQDWKGS-GRYCIOLGSA-N 2 1 249.358 1.960 20 0 BDADMP COCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422986848 387796325 /nfs/dbraw/zinc/79/63/25/387796325.db2.gz DLRPKLBVUKZJGY-VXGBXAGGSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)CC[N@H+]1C ZINC000527981090 387797515 /nfs/dbraw/zinc/79/75/15/387797515.db2.gz KAVIKMCVNZSHRW-QCXCNERSSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422990132 387798784 /nfs/dbraw/zinc/79/87/84/387798784.db2.gz MTWZFXLAAXTMJA-FZMZJTMJSA-N 2 1 234.343 1.522 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccccc21 ZINC000422990105 387799348 /nfs/dbraw/zinc/79/93/48/387799348.db2.gz BNIQKVSVXQVWRQ-DRABBMOASA-N 2 1 244.338 1.658 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000051627715 387799998 /nfs/dbraw/zinc/79/99/98/387799998.db2.gz QTVQBQWADZACIK-KGLIPLIRSA-N 2 1 236.359 1.650 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422994957 387803107 /nfs/dbraw/zinc/80/31/07/387803107.db2.gz WQQVYAIVIVOSCC-GRYCIOLGSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000422997888 387804764 /nfs/dbraw/zinc/80/47/64/387804764.db2.gz OYCDGVCRKYDTFS-ZIAGYGMSSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422952484 387808940 /nfs/dbraw/zinc/80/89/40/387808940.db2.gz CNEJFMRJBOSBBG-GRYCIOLGSA-N 3 1 238.379 1.543 20 0 BDADMP C[C@H]([NH3+])C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000442666884 387819964 /nfs/dbraw/zinc/81/99/64/387819964.db2.gz XDXAKVBDOTVARV-WFASDCNBSA-N 2 1 248.370 1.706 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000442666884 387819967 /nfs/dbraw/zinc/81/99/67/387819967.db2.gz XDXAKVBDOTVARV-WFASDCNBSA-N 2 1 248.370 1.706 20 0 BDADMP C[C@H]([NH2+]CCc1ccccc1O)[C@H]1CCC[NH2+]1 ZINC000422974274 387823649 /nfs/dbraw/zinc/82/36/49/387823649.db2.gz QTLVITBYZNABSS-WCQYABFASA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CC[N@H+]1C ZINC000313313861 387828358 /nfs/dbraw/zinc/82/83/58/387828358.db2.gz ZSGGOFHFLBSNCA-VXGBXAGGSA-N 2 1 236.363 1.035 20 0 BDADMP C[C@H]([NH2+]C[C@H](CO)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423007774 387828992 /nfs/dbraw/zinc/82/89/92/387828992.db2.gz ROWHNLCQORYQJO-NWANDNLSSA-N 2 1 248.370 1.493 20 0 BDADMP COc1cccnc1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000528026255 387830277 /nfs/dbraw/zinc/83/02/77/387830277.db2.gz NWOXKBXNGXDUNK-CQSZACIVSA-N 2 1 247.342 1.622 20 0 BDADMP CC[C@@H]([NH2+]CCc1ncc(C)cn1)[C@@H]1CCC[NH2+]1 ZINC000423011507 387833517 /nfs/dbraw/zinc/83/35/17/387833517.db2.gz IXZVDGABPMUGMP-OLZOCXBDSA-N 2 1 248.374 1.448 20 0 BDADMP CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423016346 387838233 /nfs/dbraw/zinc/83/82/33/387838233.db2.gz MHYCRCKLMKWQAJ-RWMBFGLXSA-N 2 1 240.391 1.514 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000423026572 387843687 /nfs/dbraw/zinc/84/36/87/387843687.db2.gz BPJKKIBBIIBZFM-GRYCIOLGSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423026835 387843745 /nfs/dbraw/zinc/84/37/45/387843745.db2.gz CEBJZNVAWUKFTC-MJBXVCDLSA-N 3 1 241.423 1.966 20 0 BDADMP C[C@H](N[C@H]1CCC[N@@H+](C)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032734 387848928 /nfs/dbraw/zinc/84/89/28/387848928.db2.gz NBGCKNMQVKTMKI-RVMXOQNASA-N 2 1 225.380 1.199 20 0 BDADMP CC1=CC[N@H+](CCN[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000423032181 387849240 /nfs/dbraw/zinc/84/92/40/387849240.db2.gz DZXWABZCQJUVST-ZIAGYGMSSA-N 2 1 237.391 1.226 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000423032181 387849241 /nfs/dbraw/zinc/84/92/41/387849241.db2.gz DZXWABZCQJUVST-ZIAGYGMSSA-N 2 1 237.391 1.226 20 0 BDADMP C[C@H]1C[C@H]1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000433027815 387851993 /nfs/dbraw/zinc/85/19/93/387851993.db2.gz XBUBOENTJIYYPH-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423056680 387861676 /nfs/dbraw/zinc/86/16/76/387861676.db2.gz XXZIFNLGSPHXCL-YCBKHBRVSA-N 2 1 212.337 1.044 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](C)OC)[C@@H]1CCC[NH2+]1 ZINC000423062305 387868104 /nfs/dbraw/zinc/86/81/04/387868104.db2.gz SVSLUKHWYDOQCO-VWYCJHECSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)[C@H]1CCCC[NH2+]1 ZINC000423064850 387868508 /nfs/dbraw/zinc/86/85/08/387868508.db2.gz SEXVEXYFGKATSX-USZNOCQGSA-N 2 1 226.364 1.266 20 0 BDADMP CC(C)=CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423067256 387869768 /nfs/dbraw/zinc/86/97/68/387869768.db2.gz GRKYJDLBJXLQQP-MJBXVCDLSA-N 2 1 238.375 1.699 20 0 BDADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccco1 ZINC000422963081 387814697 /nfs/dbraw/zinc/81/46/97/387814697.db2.gz HJWWGNGABMDPEG-SDDRHHMPSA-N 2 1 237.347 1.352 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478279 387815120 /nfs/dbraw/zinc/81/51/20/387815120.db2.gz RXQODFPKCNOKHP-DOMZBBRYSA-N 2 1 248.370 1.309 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976672 387815947 /nfs/dbraw/zinc/81/59/47/387815947.db2.gz FYFDKQXKPLZQQQ-IGJPJIBNSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H](CO)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422970289 387818474 /nfs/dbraw/zinc/81/84/74/387818474.db2.gz FTVWDYSWKQFQAW-QEJZJMRPSA-N 2 1 248.370 1.698 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000423106987 387891216 /nfs/dbraw/zinc/89/12/16/387891216.db2.gz KDVQYQUJBDJCHI-OLZOCXBDSA-N 3 1 227.396 1.578 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000423106987 387891223 /nfs/dbraw/zinc/89/12/23/387891223.db2.gz KDVQYQUJBDJCHI-OLZOCXBDSA-N 3 1 227.396 1.578 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106461 387891505 /nfs/dbraw/zinc/89/15/05/387891505.db2.gz CVWIDPZNBWDDET-VOAKCMCISA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000423110131 387892503 /nfs/dbraw/zinc/89/25/03/387892503.db2.gz UOYLCEQCYVRMMD-LLVKDONJSA-N 2 1 246.358 1.822 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CC(O)C1 ZINC000444634242 387895511 /nfs/dbraw/zinc/89/55/11/387895511.db2.gz XZPYKJHSRSXXHP-UHFFFAOYSA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H]([NH2+]CCOCC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423072528 387875010 /nfs/dbraw/zinc/87/50/10/387875010.db2.gz PPOSHCIMRRNKKL-UWVGGRQHSA-N 2 1 236.306 1.388 20 0 BDADMP CCOC1CC(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423076823 387876099 /nfs/dbraw/zinc/87/60/99/387876099.db2.gz ZWRJPMJBDKOYSA-GFJIZPEISA-N 2 1 240.391 1.779 20 0 BDADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423081960 387878033 /nfs/dbraw/zinc/87/80/33/387878033.db2.gz CFRRLNAFBNSFNA-YFKTTZPYSA-N 2 1 240.347 1.058 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423093108 387882957 /nfs/dbraw/zinc/88/29/57/387882957.db2.gz FTZNEKZNZVBJEB-YNEHKIRRSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423093084 387883151 /nfs/dbraw/zinc/88/31/51/387883151.db2.gz FSMKEKMGQCPDPR-IXOXFDKPSA-N 2 1 208.349 1.763 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)F)c2ccccc21 ZINC000236306404 387883734 /nfs/dbraw/zinc/88/37/34/387883734.db2.gz DMJQQHKPNFUYGU-OUAUKWLOSA-N 2 1 242.269 1.347 20 0 BDADMP CC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173591763 387898627 /nfs/dbraw/zinc/89/86/27/387898627.db2.gz MSDLFYFLFSZETM-AWEZNQCLSA-N 2 1 238.375 1.773 20 0 BDADMP CC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173591763 387898629 /nfs/dbraw/zinc/89/86/29/387898629.db2.gz MSDLFYFLFSZETM-AWEZNQCLSA-N 2 1 238.375 1.773 20 0 BDADMP Cc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc(C)[nH+]1 ZINC000321884778 387918568 /nfs/dbraw/zinc/91/85/68/387918568.db2.gz KHGBSWGRPGRYNB-XYPYZODXSA-N 2 1 220.320 1.775 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423140276 387919043 /nfs/dbraw/zinc/91/90/43/387919043.db2.gz MFLANNUNQYODGV-CHWFTXMASA-N 2 1 200.326 1.140 20 0 BDADMP C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423126706 387904832 /nfs/dbraw/zinc/90/48/32/387904832.db2.gz SMFHBKLKEKXFBH-OBJOEFQTSA-N 2 1 246.354 1.893 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423153068 387931577 /nfs/dbraw/zinc/93/15/77/387931577.db2.gz MXQLFZOZBAIPQN-ZDEQEGDKSA-N 2 1 210.365 1.866 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423153914 387932918 /nfs/dbraw/zinc/93/29/18/387932918.db2.gz OCCWJOZTNLDDNG-MXWKQRLJSA-N 2 1 224.352 1.679 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000392198427 387935327 /nfs/dbraw/zinc/93/53/27/387935327.db2.gz WDDSFRVVPTVEEY-UONOGXRCSA-N 3 1 237.391 1.355 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423167469 387953303 /nfs/dbraw/zinc/95/33/03/387953303.db2.gz WSKKRJKITNHRSL-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1c[nH+]ccc1N ZINC000423169523 387954527 /nfs/dbraw/zinc/95/45/27/387954527.db2.gz WFXNJQUDJAZXRP-OUJBWJOFSA-N 2 1 235.331 1.306 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000423168928 387955332 /nfs/dbraw/zinc/95/53/32/387955332.db2.gz VKPONTASUYYVLM-ZDUSSCGKSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CC[N@H+]1CCCC1(C)C ZINC000423168928 387955335 /nfs/dbraw/zinc/95/53/35/387955335.db2.gz VKPONTASUYYVLM-ZDUSSCGKSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1c[nH+]ccc1N ZINC000423160692 387940893 /nfs/dbraw/zinc/94/08/93/387940893.db2.gz MRBBZTVTNCURFG-NWDGAFQWSA-N 2 1 249.358 1.961 20 0 BDADMP CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)COC1 ZINC000423161655 387944289 /nfs/dbraw/zinc/94/42/89/387944289.db2.gz NYKBXEYBBBKEKD-WDEREUQCSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162810 387945851 /nfs/dbraw/zinc/94/58/51/387945851.db2.gz QGBOLVFYZHZWJJ-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423162810 387945855 /nfs/dbraw/zinc/94/58/55/387945855.db2.gz QGBOLVFYZHZWJJ-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP CCOC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245452611 387949391 /nfs/dbraw/zinc/94/93/91/387949391.db2.gz QLYVITMIJBGUAO-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245452611 387949396 /nfs/dbraw/zinc/94/93/96/387949396.db2.gz QLYVITMIJBGUAO-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245452611 387949398 /nfs/dbraw/zinc/94/93/98/387949398.db2.gz QLYVITMIJBGUAO-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245452611 387949401 /nfs/dbraw/zinc/94/94/01/387949401.db2.gz QLYVITMIJBGUAO-RYUDHWBXSA-N 2 1 242.363 1.354 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000226926676 387951534 /nfs/dbraw/zinc/95/15/34/387951534.db2.gz DIWMYSJGLMMPMZ-CABZTGNLSA-N 2 1 237.347 1.851 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000226926676 387951539 /nfs/dbraw/zinc/95/15/39/387951539.db2.gz DIWMYSJGLMMPMZ-CABZTGNLSA-N 2 1 237.347 1.851 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423172100 387959301 /nfs/dbraw/zinc/95/93/01/387959301.db2.gz RIGMFXJYVXAFLC-QJPTWQEYSA-N 2 1 214.353 1.247 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1c[nH+]ccc1N ZINC000423175227 387962743 /nfs/dbraw/zinc/96/27/43/387962743.db2.gz DMDNEYUKYBMEOL-QJPTWQEYSA-N 2 1 249.358 1.696 20 0 BDADMP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423177501 387964841 /nfs/dbraw/zinc/96/48/41/387964841.db2.gz AUYOGBHKKWYXRT-FVCCEPFGSA-N 2 1 236.359 1.286 20 0 BDADMP CC1(C)[C@H]([NH2+]CC[NH3+])C[C@H]1Oc1ccccc1 ZINC000423178395 387964961 /nfs/dbraw/zinc/96/49/61/387964961.db2.gz FTZLMHWAKAZCBH-CHWSQXEVSA-N 2 1 234.343 1.781 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423180550 387966235 /nfs/dbraw/zinc/96/62/35/387966235.db2.gz FFHCGRIORCVVSE-AVGNSLFASA-N 2 1 226.364 1.533 20 0 BDADMP COc1cc([C@@H](C)[NH2+]CCC[NH3+])c(F)cn1 ZINC000423183198 387967023 /nfs/dbraw/zinc/96/70/23/387967023.db2.gz HGUNKBHJXNQTMM-MRVPVSSYSA-N 2 1 227.283 1.229 20 0 BDADMP COc1ccc([C@H](C)[NH2+]CC[NH3+])c(C)c1 ZINC000423186456 387972302 /nfs/dbraw/zinc/97/23/02/387972302.db2.gz OIBAWIBSDPMEEW-JTQLQIEISA-N 2 1 208.305 1.613 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000423188043 387970757 /nfs/dbraw/zinc/97/07/57/387970757.db2.gz QBAMPSWTXGGZTJ-LMLFDSFASA-N 2 1 200.301 1.737 20 0 BDADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[NH3+])cc1 ZINC000423187477 387971258 /nfs/dbraw/zinc/97/12/58/387971258.db2.gz PQFCXQRGTYJHHU-QWRGUYRKSA-N 2 1 222.332 1.736 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423170321 387957120 /nfs/dbraw/zinc/95/71/20/387957120.db2.gz LPGAUAPLKRVLMD-AVGNSLFASA-N 3 1 227.396 1.434 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423170395 387957343 /nfs/dbraw/zinc/95/73/43/387957343.db2.gz XYFMNDQJRZYKBO-STQMWFEESA-N 2 1 239.407 1.591 20 0 BDADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 ZINC000423194315 387980589 /nfs/dbraw/zinc/98/05/89/387980589.db2.gz XRLUVSGFGJSDQD-VXGBXAGGSA-N 2 1 242.363 1.437 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423188204 387972719 /nfs/dbraw/zinc/97/27/19/387972719.db2.gz PUYMFCPGAIATFT-AAEUAGOBSA-N 2 1 219.332 1.656 20 0 BDADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[NH3+] ZINC000423189810 387972872 /nfs/dbraw/zinc/97/28/72/387972872.db2.gz RIPFWXHSPPGDSN-JTQLQIEISA-N 2 1 210.296 1.695 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(CO)CC1 ZINC000446063017 387989982 /nfs/dbraw/zinc/98/99/82/387989982.db2.gz TWHTYCMITGQTQV-UHFFFAOYSA-N 2 1 237.347 1.286 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(CO)CC1 ZINC000446063017 387989986 /nfs/dbraw/zinc/98/99/86/387989986.db2.gz TWHTYCMITGQTQV-UHFFFAOYSA-N 2 1 237.347 1.286 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](CCOCC[NH3+])C1 ZINC000086435897 135084805 /nfs/dbraw/zinc/08/48/05/135084805.db2.gz CYAZNSCOQXMAGU-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cn[nH]c1 ZINC000453136131 387995524 /nfs/dbraw/zinc/99/55/24/387995524.db2.gz PMWKLOYMUAHSBX-CYZMBNFOSA-N 2 1 236.363 1.933 20 0 BDADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)C[N@H+]1C1CC1 ZINC000423214326 387997635 /nfs/dbraw/zinc/99/76/35/387997635.db2.gz OQDYPNZMAIBJBW-AGIUHOORSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423214326 387997639 /nfs/dbraw/zinc/99/76/39/387997639.db2.gz OQDYPNZMAIBJBW-AGIUHOORSA-N 2 1 237.391 1.201 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423216106 387997975 /nfs/dbraw/zinc/99/79/75/387997975.db2.gz PLCPOCSXHZXXPX-YIPFDTCYSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])C(C)(C)c1ccccc1 ZINC000420399397 387999685 /nfs/dbraw/zinc/99/96/85/387999685.db2.gz HPISXMKSLPSDHP-NSHDSACASA-N 2 1 206.333 1.901 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156612467 388011027 /nfs/dbraw/zinc/01/10/27/388011027.db2.gz YKQMSXPMDWLUTG-QJPTWQEYSA-N 2 1 214.353 1.076 20 0 BDADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156612467 388011030 /nfs/dbraw/zinc/01/10/30/388011030.db2.gz YKQMSXPMDWLUTG-QJPTWQEYSA-N 2 1 214.353 1.076 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000423221685 388002506 /nfs/dbraw/zinc/00/25/06/388002506.db2.gz XQOCZJYYHVVVBH-IGQOVBAYSA-N 2 1 239.407 1.304 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000423221685 388002509 /nfs/dbraw/zinc/00/25/09/388002509.db2.gz XQOCZJYYHVVVBH-IGQOVBAYSA-N 2 1 239.407 1.304 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423224197 388006096 /nfs/dbraw/zinc/00/60/96/388006096.db2.gz IMQYLFXCKJHBCI-UTUOFQBUSA-N 2 1 224.348 1.143 20 0 BDADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000453203521 388009960 /nfs/dbraw/zinc/00/99/60/388009960.db2.gz VBGIKEZKSKYSEF-KBPBESRZSA-N 2 1 240.391 1.611 20 0 BDADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000453203521 388009963 /nfs/dbraw/zinc/00/99/63/388009963.db2.gz VBGIKEZKSKYSEF-KBPBESRZSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)COC)C1 ZINC000309671745 388010415 /nfs/dbraw/zinc/01/04/15/388010415.db2.gz WFZZUAOJLDDSHW-STQMWFEESA-N 2 1 228.380 1.590 20 0 BDADMP CCCCO[C@H]1C[C@H]([NH2+]CC[NH2+]C)C1(C)C ZINC000423226882 388011789 /nfs/dbraw/zinc/01/17/89/388011789.db2.gz SQQKOAWZXSYMMZ-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]CC[NH2+]C)C1(CC)CC ZINC000423228191 388013266 /nfs/dbraw/zinc/01/32/66/388013266.db2.gz YQCOVGAGGXCFLT-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[C@@H]21 ZINC000423229546 388015581 /nfs/dbraw/zinc/01/55/81/388015581.db2.gz BLDZYQWTPAHNLR-XUXIUFHCSA-N 2 1 237.391 1.201 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423241805 388025913 /nfs/dbraw/zinc/02/59/13/388025913.db2.gz IMQYLFXCKJHBCI-GRYCIOLGSA-N 2 1 224.348 1.143 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423237456 388020355 /nfs/dbraw/zinc/02/03/55/388020355.db2.gz DISLCCWALXOPJP-IJLUTSLNSA-N 2 1 226.364 1.389 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423238051 388022078 /nfs/dbraw/zinc/02/20/78/388022078.db2.gz DVQQKYADCGLPBC-WDEREUQCSA-N 2 1 202.317 1.714 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000423252504 388033455 /nfs/dbraw/zinc/03/34/55/388033455.db2.gz XSAWHABLTXVZPG-WDEREUQCSA-N 2 1 200.326 1.001 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000423252502 388034490 /nfs/dbraw/zinc/03/44/90/388034490.db2.gz XSAWHABLTXVZPG-MNOVXSKESA-N 2 1 200.326 1.001 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cn[nH]c1 ZINC000423260358 388038039 /nfs/dbraw/zinc/03/80/39/388038039.db2.gz HDIRWDAHXODXFZ-GWCFXTLKSA-N 2 1 236.363 1.968 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000082645597 388038883 /nfs/dbraw/zinc/03/88/83/388038883.db2.gz UAYGNPMQWHSRRN-YPMHNXCESA-N 2 1 219.332 1.641 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCCC[NH3+] ZINC000423262371 388039973 /nfs/dbraw/zinc/03/99/73/388039973.db2.gz MFYALEBPEUFAFM-RYUDHWBXSA-N 3 1 215.385 1.467 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423265722 388044596 /nfs/dbraw/zinc/04/45/96/388044596.db2.gz RGHMBQXBOWGIAG-KWCYVHTRSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423265722 388044598 /nfs/dbraw/zinc/04/45/98/388044598.db2.gz RGHMBQXBOWGIAG-KWCYVHTRSA-N 2 1 239.407 1.434 20 0 BDADMP CSCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000160042644 388043304 /nfs/dbraw/zinc/04/33/04/388043304.db2.gz ACPLSWSKLYIVGW-UHFFFAOYSA-N 2 1 202.367 1.281 20 0 BDADMP CNC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423265450 388043871 /nfs/dbraw/zinc/04/38/71/388043871.db2.gz RCMJRQPTNSKTIZ-PWSUYJOCSA-N 2 1 241.379 1.008 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@H]2CCC[C@@H]21 ZINC000453278682 388031083 /nfs/dbraw/zinc/03/10/83/388031083.db2.gz HZNYEXNYTPONCJ-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425397 388053009 /nfs/dbraw/zinc/05/30/09/388053009.db2.gz MFWFTJOMEKSMBP-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425398 388053265 /nfs/dbraw/zinc/05/32/65/388053265.db2.gz MFWFTJOMEKSMBP-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2c1cnn2C ZINC000423277745 388057707 /nfs/dbraw/zinc/05/77/07/388057707.db2.gz QCADIRYBFFIOEH-NEPJUHHUSA-N 2 1 236.363 1.370 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(C)C ZINC000423278710 388060085 /nfs/dbraw/zinc/06/00/85/388060085.db2.gz QIXJIPCWICLLLZ-SDDRHHMPSA-N 2 1 226.364 1.517 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000423281005 388063305 /nfs/dbraw/zinc/06/33/05/388063305.db2.gz VFZWHKMXTMTYRB-ZJUUUORDSA-N 2 1 236.363 1.600 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423283269 388064936 /nfs/dbraw/zinc/06/49/36/388064936.db2.gz FCVICCMNIYPKNM-CHWSQXEVSA-N 2 1 239.407 1.720 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccncc1 ZINC000423284484 388066684 /nfs/dbraw/zinc/06/66/84/388066684.db2.gz YBNZRIRIKDSYAP-ZYHUDNBSSA-N 2 1 207.321 1.716 20 0 BDADMP COCC[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453409450 388075997 /nfs/dbraw/zinc/07/59/97/388075997.db2.gz UFYSBZDOGMMNNE-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCOCC1 ZINC000423297930 388079741 /nfs/dbraw/zinc/07/97/41/388079741.db2.gz MMBWBDICUMBGKL-AAEUAGOBSA-N 2 1 228.380 1.909 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCC[NH3+] ZINC000423297859 388080249 /nfs/dbraw/zinc/08/02/49/388080249.db2.gz MECZRWXAKXKDRZ-MNOVXSKESA-N 3 1 201.358 1.221 20 0 BDADMP C[C@H]1C[N@@H+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000447584668 388080727 /nfs/dbraw/zinc/08/07/27/388080727.db2.gz GPPPMNJJMCTWBZ-APYLGABCSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@H]1C[NH+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000447584668 388080729 /nfs/dbraw/zinc/08/07/29/388080729.db2.gz GPPPMNJJMCTWBZ-APYLGABCSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000447584668 388080735 /nfs/dbraw/zinc/08/07/35/388080735.db2.gz GPPPMNJJMCTWBZ-APYLGABCSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000447584668 388080737 /nfs/dbraw/zinc/08/07/37/388080737.db2.gz GPPPMNJJMCTWBZ-APYLGABCSA-N 2 1 237.391 1.151 20 0 BDADMP CC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160727138 388085970 /nfs/dbraw/zinc/08/59/70/388085970.db2.gz LMBQXJKJYOZTOX-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP C[N@@H+](CCCC[NH2+]CC[C@H]1CCOC1)C1CC1 ZINC000453598840 388089761 /nfs/dbraw/zinc/08/97/61/388089761.db2.gz QLRQVQULMVFXIG-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000086662954 388105570 /nfs/dbraw/zinc/10/55/70/388105570.db2.gz UVSWNQGCOZYONI-GFCCVEGCSA-N 2 1 221.348 1.949 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000643493599 388110028 /nfs/dbraw/zinc/11/00/28/388110028.db2.gz QLERLZKVICHRRE-GAQJKIJGSA-N 2 1 218.300 1.244 20 0 BDADMP C[NH2+]CCCN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000086930139 388111205 /nfs/dbraw/zinc/11/12/05/388111205.db2.gz RBPUKRBPGHCNQQ-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP C[NH2+]C[C@H](C)CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423269134 388048019 /nfs/dbraw/zinc/04/80/19/388048019.db2.gz GREAMFRDGUILDQ-SRVKXCTJSA-N 2 1 225.380 1.057 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423269134 388048025 /nfs/dbraw/zinc/04/80/25/388048025.db2.gz GREAMFRDGUILDQ-SRVKXCTJSA-N 2 1 225.380 1.057 20 0 BDADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cnn(C)c1 ZINC000423270663 388048931 /nfs/dbraw/zinc/04/89/31/388048931.db2.gz IIQUQZDPODJFHU-RYUDHWBXSA-N 2 1 224.352 1.444 20 0 BDADMP C[C@@H](CF)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000646215191 388166098 /nfs/dbraw/zinc/16/60/98/388166098.db2.gz JWHTUYWVFHYVCL-GARJFASQSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H](CF)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000646215191 388166099 /nfs/dbraw/zinc/16/60/99/388166099.db2.gz JWHTUYWVFHYVCL-GARJFASQSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H](CF)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000646215189 388166187 /nfs/dbraw/zinc/16/61/87/388166187.db2.gz JWHTUYWVFHYVCL-AXFHLTTASA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H](CF)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000646215189 388166189 /nfs/dbraw/zinc/16/61/89/388166189.db2.gz JWHTUYWVFHYVCL-AXFHLTTASA-N 2 1 200.301 1.561 20 0 BDADMP CCOCC[N@H+](C)CCC[NH+]1CCCCC1 ZINC000162221569 388128659 /nfs/dbraw/zinc/12/86/59/388128659.db2.gz QCAKRYXSXIVOGO-UHFFFAOYSA-N 2 1 228.380 1.831 20 0 BDADMP CCOCC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000162221569 388128662 /nfs/dbraw/zinc/12/86/62/388128662.db2.gz QCAKRYXSXIVOGO-UHFFFAOYSA-N 2 1 228.380 1.831 20 0 BDADMP CC[C@@](C)(C[NH2+]CCn1cc[nH+]c1C)OC ZINC000322984524 388257565 /nfs/dbraw/zinc/25/75/65/388257565.db2.gz ZYRQUNUCXOMBEX-LBPRGKRZSA-N 2 1 225.336 1.596 20 0 BDADMP C[C@H]1[C@@H](CO)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000488750521 388193541 /nfs/dbraw/zinc/19/35/41/388193541.db2.gz UMCUWDLYZCPCGF-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)[C@@H](C)C1 ZINC000449410200 388197459 /nfs/dbraw/zinc/19/74/59/388197459.db2.gz YLNYOQIYDTZJDD-STQMWFEESA-N 2 1 242.407 1.715 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC)COC2)[C@@H](C)C1 ZINC000449596901 388239599 /nfs/dbraw/zinc/23/95/99/388239599.db2.gz CSEQOOGJLICHIH-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000191895193 388241209 /nfs/dbraw/zinc/24/12/09/388241209.db2.gz VADRAAFRJVPMJX-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979000 256630331 /nfs/dbraw/zinc/63/03/31/256630331.db2.gz SZPGZOSIKFOXAA-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](C[NH2+]Cc1cnc2cnccn12)C[NH+](C)C ZINC000491590312 388304780 /nfs/dbraw/zinc/30/47/80/388304780.db2.gz YZYSEIZKTJALBJ-NSHDSACASA-N 2 1 247.346 1.017 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000451452489 388274540 /nfs/dbraw/zinc/27/45/40/388274540.db2.gz GXTCGMLTWMYJAW-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000451452489 388274542 /nfs/dbraw/zinc/27/45/42/388274542.db2.gz GXTCGMLTWMYJAW-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000300036961 388346106 /nfs/dbraw/zinc/34/61/06/388346106.db2.gz FFSLGYPJOGVHIF-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000300036961 388346109 /nfs/dbraw/zinc/34/61/09/388346109.db2.gz FFSLGYPJOGVHIF-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000235151048 388366266 /nfs/dbraw/zinc/36/62/66/388366266.db2.gz WDFMOIFNYMDSMO-ZJUUUORDSA-N 2 1 210.296 1.694 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000165626606 388406285 /nfs/dbraw/zinc/40/62/85/388406285.db2.gz XZBDEIMZTDOJAM-WCQYABFASA-N 2 1 237.347 1.596 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300825243 388396240 /nfs/dbraw/zinc/39/62/40/388396240.db2.gz GSWHNBYKLKMRND-NXEZZACHSA-N 2 1 218.291 1.845 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300825243 388396242 /nfs/dbraw/zinc/39/62/42/388396242.db2.gz GSWHNBYKLKMRND-NXEZZACHSA-N 2 1 218.291 1.845 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCF ZINC000308631312 388446422 /nfs/dbraw/zinc/44/64/22/388446422.db2.gz APSAOJNXQQGDPK-UHFFFAOYSA-N 2 1 202.317 1.810 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000193806533 388450899 /nfs/dbraw/zinc/45/08/99/388450899.db2.gz CCTLLLDXAMDXLJ-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000397358627 388463174 /nfs/dbraw/zinc/46/31/74/388463174.db2.gz FVNFQOYOBFTMDF-DYEKYZERSA-N 2 1 233.359 1.887 20 0 BDADMP CCn1cncc1CN[C@@H](C)C[N@@H+](C)C(C)C ZINC000310089056 388475540 /nfs/dbraw/zinc/47/55/40/388475540.db2.gz IJIKGKPVTJJJBE-LBPRGKRZSA-N 2 1 238.379 1.721 20 0 BDADMP CCn1cncc1C[NH2+][C@@H](C)CN(C)C(C)C ZINC000310089056 388475541 /nfs/dbraw/zinc/47/55/41/388475541.db2.gz IJIKGKPVTJJJBE-LBPRGKRZSA-N 2 1 238.379 1.721 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000573197712 388430626 /nfs/dbraw/zinc/43/06/26/388430626.db2.gz WKULTDFOTIRTST-MOKVOYLWSA-N 3 1 239.407 1.435 20 0 BDADMP CN1CCC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000573197712 388430629 /nfs/dbraw/zinc/43/06/29/388430629.db2.gz WKULTDFOTIRTST-MOKVOYLWSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356254 388435637 /nfs/dbraw/zinc/43/56/37/388435637.db2.gz DZTXOPYLKIFFRG-DGCLKSJQSA-N 2 1 238.375 1.770 20 0 BDADMP CC[N@@H+](CCNC(=O)CC[NH2+]C(C)C)C(C)C ZINC000167201146 388439214 /nfs/dbraw/zinc/43/92/14/388439214.db2.gz HBHWYWNXBZJPTM-UHFFFAOYSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000310433997 388482952 /nfs/dbraw/zinc/48/29/52/388482952.db2.gz NWPVFMDBBWTEIE-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000310433997 388482955 /nfs/dbraw/zinc/48/29/55/388482955.db2.gz NWPVFMDBBWTEIE-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H](C)C1 ZINC000310433997 388482957 /nfs/dbraw/zinc/48/29/57/388482957.db2.gz NWPVFMDBBWTEIE-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000310433997 388482960 /nfs/dbraw/zinc/48/29/60/388482960.db2.gz NWPVFMDBBWTEIE-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000340490151 388491856 /nfs/dbraw/zinc/49/18/56/388491856.db2.gz LTZNQJHHCMTYQG-WCFLWFBJSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)O ZINC000340502809 388491985 /nfs/dbraw/zinc/49/19/85/388491985.db2.gz MKKZPKJIFGEBHR-GFCCVEGCSA-N 2 1 228.380 1.610 20 0 BDADMP CN(CCC[NH3+])C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000646782054 388502170 /nfs/dbraw/zinc/50/21/70/388502170.db2.gz BWEQYVBPHOBGEJ-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCF)CC1 ZINC000520834680 388518814 /nfs/dbraw/zinc/51/88/14/388518814.db2.gz JYAFLOXPUVLJIM-UHFFFAOYSA-N 2 1 232.343 1.171 20 0 BDADMP COC[C@H](C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245636028 388594868 /nfs/dbraw/zinc/59/48/68/388594868.db2.gz RIHRZFMKVFOOIS-OLZOCXBDSA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@H](C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245636028 388594870 /nfs/dbraw/zinc/59/48/70/388594870.db2.gz RIHRZFMKVFOOIS-OLZOCXBDSA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@H](C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245636028 388594872 /nfs/dbraw/zinc/59/48/72/388594872.db2.gz RIHRZFMKVFOOIS-OLZOCXBDSA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245636029 388594933 /nfs/dbraw/zinc/59/49/33/388594933.db2.gz RIHRZFMKVFOOIS-STQMWFEESA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@@H](C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245636029 388594936 /nfs/dbraw/zinc/59/49/36/388594936.db2.gz RIHRZFMKVFOOIS-STQMWFEESA-N 2 1 228.380 1.543 20 0 BDADMP COC[C@@H](C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245636029 388594938 /nfs/dbraw/zinc/59/49/38/388594938.db2.gz RIHRZFMKVFOOIS-STQMWFEESA-N 2 1 228.380 1.543 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000379221212 388600098 /nfs/dbraw/zinc/60/00/98/388600098.db2.gz PVBSCTATORFXQW-TZMCWYRMSA-N 2 1 234.343 1.655 20 0 BDADMP CN(CC[N@@H+](C)C1CC1)CC[NH+]1CCCCC1 ZINC000186781320 388603880 /nfs/dbraw/zinc/60/38/80/388603880.db2.gz WTHXKXBAWYFENY-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CCO)CC1 ZINC000517712625 388557361 /nfs/dbraw/zinc/55/73/61/388557361.db2.gz HWUDDKVXVVMKTI-CYBMUJFWSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000137429279 388560668 /nfs/dbraw/zinc/56/06/68/388560668.db2.gz SGRDEGQGZJGSNW-GFCCVEGCSA-N 2 1 248.374 1.488 20 0 BDADMP CCn1nccc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000125213157 388669525 /nfs/dbraw/zinc/66/95/25/388669525.db2.gz PDGPGVJLGHVJDF-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000125213157 388669528 /nfs/dbraw/zinc/66/95/28/388669528.db2.gz PDGPGVJLGHVJDF-LBPRGKRZSA-N 2 1 236.363 1.334 20 0 BDADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247975817 388671580 /nfs/dbraw/zinc/67/15/80/388671580.db2.gz KUMZSUXRKHXCQF-KBPBESRZSA-N 2 1 241.423 1.648 20 0 BDADMP CO[C@H](C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248455870 388681371 /nfs/dbraw/zinc/68/13/71/388681371.db2.gz ZXSAYAPZPNXNSJ-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CO[C@H](C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000248455870 388681374 /nfs/dbraw/zinc/68/13/74/388681374.db2.gz ZXSAYAPZPNXNSJ-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP CO[C@H](C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248455870 388681375 /nfs/dbraw/zinc/68/13/75/388681375.db2.gz ZXSAYAPZPNXNSJ-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CC(C)(C)C2)CCO1 ZINC000530212066 388627405 /nfs/dbraw/zinc/62/74/05/388627405.db2.gz OFIJFZWROBWPEN-JQWIXIFHSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1 ZINC000530212066 388627406 /nfs/dbraw/zinc/62/74/06/388627406.db2.gz OFIJFZWROBWPEN-JQWIXIFHSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)c1ccncc1 ZINC000530244510 388638087 /nfs/dbraw/zinc/63/80/87/388638087.db2.gz MAETXEIGKGDSJZ-YPMHNXCESA-N 2 1 219.332 1.527 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425582 388640498 /nfs/dbraw/zinc/64/04/98/388640498.db2.gz FMGMMHGYZCMLLA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247140205 388659649 /nfs/dbraw/zinc/65/96/49/388659649.db2.gz SFIOXRLCQXVQNE-FRRDWIJNSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247140205 388659650 /nfs/dbraw/zinc/65/96/50/388659650.db2.gz SFIOXRLCQXVQNE-FRRDWIJNSA-N 2 1 228.380 1.466 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)COC)[C@H](C)C1 ZINC000124331096 388661825 /nfs/dbraw/zinc/66/18/25/388661825.db2.gz HYKGFRFUDOMDNN-MCIONIFRSA-N 2 1 242.407 1.931 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)COC)[C@H](C)C1 ZINC000124331096 388661828 /nfs/dbraw/zinc/66/18/28/388661828.db2.gz HYKGFRFUDOMDNN-MCIONIFRSA-N 2 1 242.407 1.931 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)COC)[C@H](C)C1 ZINC000124331096 388661830 /nfs/dbraw/zinc/66/18/30/388661830.db2.gz HYKGFRFUDOMDNN-MCIONIFRSA-N 2 1 242.407 1.931 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000226980284 388736137 /nfs/dbraw/zinc/73/61/37/388736137.db2.gz WEHRCZWJISNBRA-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000226980284 388736139 /nfs/dbraw/zinc/73/61/39/388736139.db2.gz WEHRCZWJISNBRA-DGCLKSJQSA-N 2 1 219.332 1.702 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250739467 388739713 /nfs/dbraw/zinc/73/97/13/388739713.db2.gz MLPSMVRUFKLBJA-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250739467 388739716 /nfs/dbraw/zinc/73/97/16/388739716.db2.gz MLPSMVRUFKLBJA-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227077048 388740279 /nfs/dbraw/zinc/74/02/79/388740279.db2.gz VMUAHBQJFIWCDK-QWRGUYRKSA-N 2 1 205.305 1.564 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000126033666 388687251 /nfs/dbraw/zinc/68/72/51/388687251.db2.gz PUQDMEOHNHTPFH-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000126033666 388687255 /nfs/dbraw/zinc/68/72/55/388687255.db2.gz PUQDMEOHNHTPFH-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000552357680 388696407 /nfs/dbraw/zinc/69/64/07/388696407.db2.gz MKVLRXMCBJDUAE-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552357680 388696409 /nfs/dbraw/zinc/69/64/09/388696409.db2.gz MKVLRXMCBJDUAE-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552357680 388696413 /nfs/dbraw/zinc/69/64/13/388696413.db2.gz MKVLRXMCBJDUAE-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)CC[N@H+]1C ZINC000249114675 388709778 /nfs/dbraw/zinc/70/97/78/388709778.db2.gz RSXDMRQQRDXCFL-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@](C)(O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249434908 388722045 /nfs/dbraw/zinc/72/20/45/388722045.db2.gz ZZOAPIMSXOIOIT-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@](C)(O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000249434908 388722046 /nfs/dbraw/zinc/72/20/46/388722046.db2.gz ZZOAPIMSXOIOIT-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@](C)(O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249434908 388722047 /nfs/dbraw/zinc/72/20/47/388722047.db2.gz ZZOAPIMSXOIOIT-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000253126114 388804699 /nfs/dbraw/zinc/80/46/99/388804699.db2.gz RCDDHLHRFCIKDH-GRYCIOLGSA-N 2 1 214.353 1.328 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000230062698 388811744 /nfs/dbraw/zinc/81/17/44/388811744.db2.gz UXCBOZMQNSOWME-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252086742 388760174 /nfs/dbraw/zinc/76/01/74/388760174.db2.gz GPBHNMJSLRAQOT-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228162256 388771706 /nfs/dbraw/zinc/77/17/06/388771706.db2.gz UIPVZSKNKYZONK-WDEREUQCSA-N 2 1 205.305 1.564 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252711222 388771762 /nfs/dbraw/zinc/77/17/62/388771762.db2.gz IXEHOWZMMIOBNJ-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252711222 388771766 /nfs/dbraw/zinc/77/17/66/388771766.db2.gz IXEHOWZMMIOBNJ-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000252709489 388773515 /nfs/dbraw/zinc/77/35/15/388773515.db2.gz CZRYIQJPTUKPFP-HZSPNIEDSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000252709489 388773518 /nfs/dbraw/zinc/77/35/18/388773518.db2.gz CZRYIQJPTUKPFP-HZSPNIEDSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000252709489 388773521 /nfs/dbraw/zinc/77/35/21/388773521.db2.gz CZRYIQJPTUKPFP-HZSPNIEDSA-N 3 1 239.407 1.258 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CCCCCC2)C1 ZINC000093215394 388829684 /nfs/dbraw/zinc/82/96/84/388829684.db2.gz XDJQVXFXPYHIKP-KBPBESRZSA-N 2 1 239.407 1.722 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000069606459 388851349 /nfs/dbraw/zinc/85/13/49/388851349.db2.gz CLYMYOINCGVENM-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129841057 388872262 /nfs/dbraw/zinc/87/22/62/388872262.db2.gz NLZAAYBVEINAEZ-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000564527344 388877384 /nfs/dbraw/zinc/87/73/84/388877384.db2.gz HFTYLDCIYYCXQI-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP [NH3+]CCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000565704698 388962734 /nfs/dbraw/zinc/96/27/34/388962734.db2.gz LGABVONRUVJMBS-VIFPVBQESA-N 2 1 240.269 1.379 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000565704698 388962737 /nfs/dbraw/zinc/96/27/37/388962737.db2.gz LGABVONRUVJMBS-VIFPVBQESA-N 2 1 240.269 1.379 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000565351344 388938927 /nfs/dbraw/zinc/93/89/27/388938927.db2.gz JYRXRUPYRDAEKG-DCAQKATOSA-N 2 1 248.317 1.688 20 0 BDADMP Cc1cc(N2CCC[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000044531637 132225001 /nfs/dbraw/zinc/22/50/01/132225001.db2.gz OTKFBBNPVHYOLB-LLVKDONJSA-N 2 1 220.320 1.269 20 0 BDADMP CCC[C@H](C)[C@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000565483657 388948646 /nfs/dbraw/zinc/94/86/46/388948646.db2.gz NCSKSVCPWADLJY-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CCC1 ZINC000565841240 388972372 /nfs/dbraw/zinc/97/23/72/388972372.db2.gz NHKISJYWIGQJAK-UHFFFAOYSA-N 2 1 207.321 1.837 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CCC1 ZINC000565841240 388972374 /nfs/dbraw/zinc/97/23/74/388972374.db2.gz NHKISJYWIGQJAK-UHFFFAOYSA-N 2 1 207.321 1.837 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cncs1 ZINC000268808539 389004362 /nfs/dbraw/zinc/00/43/62/389004362.db2.gz LPEFIPZPTMPCDM-VIFPVBQESA-N 2 1 236.344 1.999 20 0 BDADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000268785153 389005094 /nfs/dbraw/zinc/00/50/94/389005094.db2.gz DOTAWAHFBHZOTO-LBPRGKRZSA-N 2 1 207.321 1.970 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccco2)CC1 ZINC000271795707 389027099 /nfs/dbraw/zinc/02/70/99/389027099.db2.gz HXBAXOCAWOHPPU-UHFFFAOYSA-N 2 1 206.289 1.631 20 0 BDADMP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCC1 ZINC000261968708 533370659 /nfs/dbraw/zinc/37/06/59/533370659.db2.gz QHFNVRGYNVJDOA-MCIONIFRSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]([NH2+]CCC1(O)CCC1)[C@H]1CCC[NH2+]1 ZINC000400448394 533373989 /nfs/dbraw/zinc/37/39/89/533373989.db2.gz QHDJEVKKEQDHHN-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@@H]([NH2+]CCc1cccnc1)[C@H]1CCC[NH2+]1 ZINC000400391155 533405899 /nfs/dbraw/zinc/40/58/99/533405899.db2.gz NHXSRVPBVKJMPP-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP Cc1cc(N2CCC([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000301070738 132223302 /nfs/dbraw/zinc/22/33/02/132223302.db2.gz GRFXPWBYOGAHCP-UHFFFAOYSA-N 2 1 234.347 1.624 20 0 BDADMP C[NH2+]CC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000053664136 132230030 /nfs/dbraw/zinc/23/00/30/132230030.db2.gz DOYKQWFHGRGLMJ-UHFFFAOYSA-N 2 1 219.332 1.826 20 0 BDADMP Cc1cc[nH+]c(N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000069626306 132398258 /nfs/dbraw/zinc/39/82/58/132398258.db2.gz PPNXLBFNYSDPAI-LBPRGKRZSA-N 2 1 219.332 1.955 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000347125388 133805097 /nfs/dbraw/zinc/80/50/97/133805097.db2.gz YFPDQGAISILSDJ-MELADBBJSA-N 2 1 240.391 1.862 20 0 BDADMP Cc1n[nH]cc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335945967 134020174 /nfs/dbraw/zinc/02/01/74/134020174.db2.gz ANZBMQXDGZCGOT-CQSZACIVSA-N 2 1 248.374 1.636 20 0 BDADMP Cc1n[nH]cc1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000335970968 134029624 /nfs/dbraw/zinc/02/96/24/134029624.db2.gz JORNIBVPOPWOOP-AAEUAGOBSA-N 2 1 234.347 1.244 20 0 BDADMP Cc1nccn1CC[N@@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000335975320 134030848 /nfs/dbraw/zinc/03/08/48/134030848.db2.gz JIYYCBNKGAOLLE-RYUDHWBXSA-N 2 1 236.363 1.216 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@H]3CCOC3)C2)C1 ZINC000336113246 134087037 /nfs/dbraw/zinc/08/70/37/134087037.db2.gz RQPLJCMOAGIEQV-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@H]3CCOC3)C2)C1 ZINC000336113246 134087038 /nfs/dbraw/zinc/08/70/38/134087038.db2.gz RQPLJCMOAGIEQV-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@H]3CCOC3)C2)C1 ZINC000336113246 134087039 /nfs/dbraw/zinc/08/70/39/134087039.db2.gz RQPLJCMOAGIEQV-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000336126745 134093259 /nfs/dbraw/zinc/09/32/59/134093259.db2.gz GNVCESUNUZSBJF-SKDRFNHKSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000336126745 134093260 /nfs/dbraw/zinc/09/32/60/134093260.db2.gz GNVCESUNUZSBJF-SKDRFNHKSA-N 2 1 237.347 1.715 20 0 BDADMP Cc1cnc(C[NH+]2CCC([C@H](C)[NH3+])CC2)o1 ZINC000336128277 134093807 /nfs/dbraw/zinc/09/38/07/134093807.db2.gz PNRCWYOECYHXEF-JTQLQIEISA-N 2 1 223.320 1.542 20 0 BDADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](C)O ZINC000352210150 134107680 /nfs/dbraw/zinc/10/76/80/134107680.db2.gz FPNDAGPFIBDMBS-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](C)O ZINC000352210150 134107681 /nfs/dbraw/zinc/10/76/81/134107681.db2.gz FPNDAGPFIBDMBS-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](C)O ZINC000352210150 134107682 /nfs/dbraw/zinc/10/76/82/134107682.db2.gz FPNDAGPFIBDMBS-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000168152729 134156338 /nfs/dbraw/zinc/15/63/38/134156338.db2.gz HICVIMXLQSQNIN-WOPDTQHZSA-N 2 1 246.420 1.030 20 0 BDADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000168152729 134156339 /nfs/dbraw/zinc/15/63/39/134156339.db2.gz HICVIMXLQSQNIN-WOPDTQHZSA-N 2 1 246.420 1.030 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000178965333 134313649 /nfs/dbraw/zinc/31/36/49/134313649.db2.gz NDCNSUWVEIGFDW-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP C1C[C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C1 ZINC000178958857 134313813 /nfs/dbraw/zinc/31/38/13/134313813.db2.gz BFROUUUEOMLWIE-ITGHMWBKSA-N 2 1 236.359 1.523 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@H]1CCC[NH+](C)C1 ZINC000178978989 134314040 /nfs/dbraw/zinc/31/40/40/134314040.db2.gz YFNWNZFSYKCREE-AWEZNQCLSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC1CC[NH2+]CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000178978989 134314041 /nfs/dbraw/zinc/31/40/41/134314041.db2.gz YFNWNZFSYKCREE-AWEZNQCLSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC1CC[NH2+]CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000178978989 134314042 /nfs/dbraw/zinc/31/40/42/134314042.db2.gz YFNWNZFSYKCREE-AWEZNQCLSA-N 3 1 239.407 1.260 20 0 BDADMP CN1CCC[C@H](C[N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000178978989 134314043 /nfs/dbraw/zinc/31/40/43/134314043.db2.gz YFNWNZFSYKCREE-AWEZNQCLSA-N 2 1 239.407 1.260 20 0 BDADMP CN1CCC[C@H](C[N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000178978989 134314044 /nfs/dbraw/zinc/31/40/44/134314044.db2.gz YFNWNZFSYKCREE-AWEZNQCLSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223006646 134336212 /nfs/dbraw/zinc/33/62/12/134336212.db2.gz RBNTUYMZLJMOLR-WCQYABFASA-N 2 1 236.363 1.264 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000224011008 134344132 /nfs/dbraw/zinc/34/41/32/134344132.db2.gz KVTXGKIZSLWRPY-ZDEQEGDKSA-N 2 1 228.380 1.323 20 0 BDADMP c1cn(CCC[N@H+]2CC[C@]3(CCOC3)C2)cn1 ZINC000183186269 134349035 /nfs/dbraw/zinc/34/90/35/134349035.db2.gz VQARSJDLARPPHU-ZDUSSCGKSA-N 2 1 235.331 1.386 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000225233388 134352006 /nfs/dbraw/zinc/35/20/06/134352006.db2.gz JDCXRYZXFFMYSI-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000227535649 134382860 /nfs/dbraw/zinc/38/28/60/134382860.db2.gz RJLDQXLXWMZGSL-UMSGYPCISA-N 2 1 228.380 1.466 20 0 BDADMP Fc1cncc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000160131567 134800820 /nfs/dbraw/zinc/80/08/20/134800820.db2.gz XCLPYSZMDSILDL-UHFFFAOYSA-N 2 1 223.295 1.452 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)O1 ZINC000248914385 135025768 /nfs/dbraw/zinc/02/57/68/135025768.db2.gz OAHFDQYZKPKABD-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)O1 ZINC000248914385 135025771 /nfs/dbraw/zinc/02/57/71/135025771.db2.gz OAHFDQYZKPKABD-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)O1 ZINC000248914385 135025773 /nfs/dbraw/zinc/02/57/73/135025773.db2.gz OAHFDQYZKPKABD-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249384322 135038022 /nfs/dbraw/zinc/03/80/22/135038022.db2.gz BHGUNCJDHYMXCJ-SCRDCRAPSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249384322 135038024 /nfs/dbraw/zinc/03/80/24/135038024.db2.gz BHGUNCJDHYMXCJ-SCRDCRAPSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000249384322 135038026 /nfs/dbraw/zinc/03/80/26/135038026.db2.gz BHGUNCJDHYMXCJ-SCRDCRAPSA-N 2 1 238.375 1.316 20 0 BDADMP c1cn(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250242977 135050802 /nfs/dbraw/zinc/05/08/02/135050802.db2.gz JSJBWTWGXNISNK-KGLIPLIRSA-N 2 1 248.374 1.490 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250364204 135052726 /nfs/dbraw/zinc/05/27/26/135052726.db2.gz UMBLDQGRHRINAJ-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251206983 135066580 /nfs/dbraw/zinc/06/65/80/135066580.db2.gz LQJZEYHAOWBMNM-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000251276773 135067926 /nfs/dbraw/zinc/06/79/26/135067926.db2.gz FTUJCXIQIQEBTP-GRYCIOLGSA-N 2 1 242.363 1.387 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000251276773 135067928 /nfs/dbraw/zinc/06/79/28/135067928.db2.gz FTUJCXIQIQEBTP-GRYCIOLGSA-N 2 1 242.363 1.387 20 0 BDADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251424404 135069817 /nfs/dbraw/zinc/06/98/17/135069817.db2.gz QNPCSHOMKHONFJ-MCIONIFRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC000252106241 135083660 /nfs/dbraw/zinc/08/36/60/135083660.db2.gz IYZYLKQCYWPRTR-SYQHCUMBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCN1C ZINC000252106241 135083662 /nfs/dbraw/zinc/08/36/62/135083662.db2.gz IYZYLKQCYWPRTR-SYQHCUMBSA-N 2 1 239.407 1.576 20 0 BDADMP CC1CCC([N@@H+](C)CCOCC[NH3+])CC1 ZINC000086435492 135084450 /nfs/dbraw/zinc/08/44/50/135084450.db2.gz ZIQKSROULKOPDT-UHFFFAOYSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000252136214 135085026 /nfs/dbraw/zinc/08/50/26/135085026.db2.gz MPDPXEUTRJCAJI-PTEHBNRSSA-N 2 1 226.364 1.626 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252384989 135087617 /nfs/dbraw/zinc/08/76/17/135087617.db2.gz DORGJFZYOVKMBS-GIPNMCIBSA-N 2 1 236.363 1.536 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252384989 135087620 /nfs/dbraw/zinc/08/76/20/135087620.db2.gz DORGJFZYOVKMBS-GIPNMCIBSA-N 2 1 236.363 1.536 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086637501 135091484 /nfs/dbraw/zinc/09/14/84/135091484.db2.gz WUOCCITYXAZFOK-JTQLQIEISA-N 2 1 222.336 1.454 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086637501 135091485 /nfs/dbraw/zinc/09/14/85/135091485.db2.gz WUOCCITYXAZFOK-JTQLQIEISA-N 2 1 222.336 1.454 20 0 BDADMP CCC(CC)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544939 135092446 /nfs/dbraw/zinc/09/24/46/135092446.db2.gz IUTJINUXJMCUHD-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CCC(CC)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252544939 135092447 /nfs/dbraw/zinc/09/24/47/135092447.db2.gz IUTJINUXJMCUHD-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252647146 135093499 /nfs/dbraw/zinc/09/34/99/135093499.db2.gz TWESCIUDKREBGZ-MCIONIFRSA-N 2 1 239.407 1.528 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000252666737 135095955 /nfs/dbraw/zinc/09/59/55/135095955.db2.gz BNJYYLOIIHVDEY-OLZOCXBDSA-N 2 1 234.347 1.137 20 0 BDADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000252666737 135095956 /nfs/dbraw/zinc/09/59/56/135095956.db2.gz BNJYYLOIIHVDEY-OLZOCXBDSA-N 2 1 234.347 1.137 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703211 135097894 /nfs/dbraw/zinc/09/78/94/135097894.db2.gz KQNWNHQFQMWAFK-LPWJVIDDSA-N 2 1 208.349 1.859 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252708799 135098728 /nfs/dbraw/zinc/09/87/28/135098728.db2.gz BCQBUUXAKQUQPI-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252708497 135098801 /nfs/dbraw/zinc/09/88/01/135098801.db2.gz AFWZLSSTASYXDS-MROQNXINSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252709398 135099282 /nfs/dbraw/zinc/09/92/82/135099282.db2.gz CUIOBNKJIFIBLB-SYLRKERUSA-N 2 1 210.365 1.961 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCOCC1 ZINC000252713700 135100233 /nfs/dbraw/zinc/10/02/33/135100233.db2.gz PZGOPBRVWUOTJM-CMPLNLGQSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCOCC1 ZINC000252713700 135100234 /nfs/dbraw/zinc/10/02/34/135100234.db2.gz PZGOPBRVWUOTJM-CMPLNLGQSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)nc(C)[nH+]1 ZINC000086887151 135100660 /nfs/dbraw/zinc/10/06/60/135100660.db2.gz LQCMOEKXANSVGH-LDYMZIIASA-N 2 1 220.320 1.267 20 0 BDADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252716889 135102139 /nfs/dbraw/zinc/10/21/39/135102139.db2.gz ZLPXPYNSUMJCRN-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252765511 135108846 /nfs/dbraw/zinc/10/88/46/135108846.db2.gz PMZFIGPENONZJM-TXFQPVFDSA-N 2 1 234.343 1.880 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252774180 135108871 /nfs/dbraw/zinc/10/88/71/135108871.db2.gz WJRYQBYSDKZSAA-RXGFPQBGSA-N 2 1 228.380 1.464 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)on1 ZINC000252838388 135111674 /nfs/dbraw/zinc/11/16/74/135111674.db2.gz AIHQDCGVYRSLOW-DRZSPHRISA-N 2 1 235.331 1.542 20 0 BDADMP C[N@H+](Cc1nccs1)CC1CC[NH2+]CC1 ZINC000087393849 135128931 /nfs/dbraw/zinc/12/89/31/135128931.db2.gz NTPRDIMZLUVUQE-UHFFFAOYSA-N 2 1 225.361 1.575 20 0 BDADMP CSc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000258776332 135134189 /nfs/dbraw/zinc/13/41/89/135134189.db2.gz BFJBDAWGCCUVHJ-NSHDSACASA-N 2 1 240.372 1.160 20 0 BDADMP CSc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000258776332 135134191 /nfs/dbraw/zinc/13/41/91/135134191.db2.gz BFJBDAWGCCUVHJ-NSHDSACASA-N 2 1 240.372 1.160 20 0 BDADMP Cc1ccncc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257660860 135138052 /nfs/dbraw/zinc/13/80/52/135138052.db2.gz GHCZIOFEKGVCAL-UHFFFAOYSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257663552 135138429 /nfs/dbraw/zinc/13/84/29/135138429.db2.gz GTFDYKXQQAEAFK-CQSZACIVSA-N 2 1 248.374 1.602 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257663552 135138430 /nfs/dbraw/zinc/13/84/30/135138430.db2.gz GTFDYKXQQAEAFK-CQSZACIVSA-N 2 1 248.374 1.602 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257669815 135138620 /nfs/dbraw/zinc/13/86/20/135138620.db2.gz IDKFKXPRAGGGPJ-ZDUSSCGKSA-N 2 1 224.348 1.098 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257687974 135139436 /nfs/dbraw/zinc/13/94/36/135139436.db2.gz MSURDEXODRCFPJ-CQSZACIVSA-N 2 1 248.374 1.304 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257687974 135139437 /nfs/dbraw/zinc/13/94/37/135139437.db2.gz MSURDEXODRCFPJ-CQSZACIVSA-N 2 1 248.374 1.304 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257697561 135140242 /nfs/dbraw/zinc/14/02/42/135140242.db2.gz PFPTWUVQJGJZCR-ZDUSSCGKSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1cccc(O)c1 ZINC000087472386 135143152 /nfs/dbraw/zinc/14/31/52/135143152.db2.gz NIJURVUBXHOJEL-UHFFFAOYSA-N 2 1 208.305 1.434 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(O)c1 ZINC000087472386 135143154 /nfs/dbraw/zinc/14/31/54/135143154.db2.gz NIJURVUBXHOJEL-UHFFFAOYSA-N 2 1 208.305 1.434 20 0 BDADMP C[C@@H]1C[C@H](N(C)Cc2ccno2)CC[N@H+]1C ZINC000266002177 135146794 /nfs/dbraw/zinc/14/67/94/135146794.db2.gz OETLCHDAYJEYOU-GHMZBOCLSA-N 2 1 223.320 1.589 20 0 BDADMP CCCO[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000261527398 135151552 /nfs/dbraw/zinc/15/15/52/135151552.db2.gz ARNXCURKWIVZOP-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CCCO[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000261527398 135151553 /nfs/dbraw/zinc/15/15/53/135151553.db2.gz ARNXCURKWIVZOP-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCSC1 ZINC000261527746 135151766 /nfs/dbraw/zinc/15/17/66/135151766.db2.gz GRVPJQXRTHZVOF-ZJUUUORDSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CCSC1 ZINC000261527746 135151768 /nfs/dbraw/zinc/15/17/68/135151768.db2.gz GRVPJQXRTHZVOF-ZJUUUORDSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccs3)C[C@H]12 ZINC000261529570 135155765 /nfs/dbraw/zinc/15/57/65/135155765.db2.gz BBGPTALPLNSOEG-ZMLRMANQSA-N 2 1 222.357 1.917 20 0 BDADMP Cc1ccoc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000261531904 135161679 /nfs/dbraw/zinc/16/16/79/135161679.db2.gz IHYMCDXBPSCPDV-LLVKDONJSA-N 2 1 208.305 1.820 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000261533240 135164454 /nfs/dbraw/zinc/16/44/54/135164454.db2.gz KMWGHAQLRWSNJM-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000261534101 135166135 /nfs/dbraw/zinc/16/61/35/135166135.db2.gz NBDJCEAGCSTTJY-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP c1csc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261534767 135168152 /nfs/dbraw/zinc/16/81/52/135168152.db2.gz MZAIWTSSVGRSRP-PWSUYJOCSA-N 2 1 222.357 1.932 20 0 BDADMP c1csc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261534767 135168154 /nfs/dbraw/zinc/16/81/54/135168154.db2.gz MZAIWTSSVGRSRP-PWSUYJOCSA-N 2 1 222.357 1.932 20 0 BDADMP COc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000261535864 135170196 /nfs/dbraw/zinc/17/01/96/135170196.db2.gz PMLPSDMUCDYHGL-NXEZZACHSA-N 2 1 208.305 1.521 20 0 BDADMP CS[C@@H]1CCCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261536760 135172069 /nfs/dbraw/zinc/17/20/69/135172069.db2.gz SUZZBPPFOKKCFO-SNVBAGLBSA-N 2 1 216.394 1.941 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261539342 135178056 /nfs/dbraw/zinc/17/80/56/135178056.db2.gz CEIHLMAIGROKGF-FRRDWIJNSA-N 2 1 208.349 1.718 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000261541907 135182321 /nfs/dbraw/zinc/18/23/21/135182321.db2.gz MLEGEEHVTGHICQ-AAEUAGOBSA-N 2 1 236.363 1.462 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000261541907 135182323 /nfs/dbraw/zinc/18/23/23/135182323.db2.gz MLEGEEHVTGHICQ-AAEUAGOBSA-N 2 1 236.363 1.462 20 0 BDADMP CCc1cc(NCC[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC000084082137 135182523 /nfs/dbraw/zinc/18/25/23/135182523.db2.gz WIHBUCVUONDAIA-MRVPVSSYSA-N 2 1 208.309 1.497 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc1 ZINC000261544298 135185575 /nfs/dbraw/zinc/18/55/75/135185575.db2.gz DQJQKBUVSNTOIJ-IACUBPJLSA-N 2 1 231.343 1.559 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261549226 135188232 /nfs/dbraw/zinc/18/82/32/135188232.db2.gz KFOAAMHPHDCPTA-UPJWGTAASA-N 2 1 231.343 1.684 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261549226 135188234 /nfs/dbraw/zinc/18/82/34/135188234.db2.gz KFOAAMHPHDCPTA-UPJWGTAASA-N 2 1 231.343 1.684 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000261549623 135188548 /nfs/dbraw/zinc/18/85/48/135188548.db2.gz KSELJYZVHKDBJX-CYBMUJFWSA-N 2 1 235.331 1.266 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nccs1 ZINC000084220498 135193222 /nfs/dbraw/zinc/19/32/22/135193222.db2.gz JAOWQVHYKVZTSP-RKDXNWHRSA-N 2 1 211.334 1.360 20 0 BDADMP C[C@@H]1CSCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261553208 135192768 /nfs/dbraw/zinc/19/27/68/135192768.db2.gz SIUKBTOPRKZUDD-RYUDHWBXSA-N 2 1 228.405 1.671 20 0 BDADMP CCc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(C)[nH+]1 ZINC000261554628 135194720 /nfs/dbraw/zinc/19/47/20/135194720.db2.gz AZSSRCXOSAGKHE-NEPJUHHUSA-N 2 1 246.358 1.393 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]12 ZINC000261561489 135202926 /nfs/dbraw/zinc/20/29/26/135202926.db2.gz APOBXWBPDQGEBP-KGYLQXTDSA-N 2 1 217.316 1.251 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261561468 135203007 /nfs/dbraw/zinc/20/30/07/135203007.db2.gz AOHHZXICZCXRSS-GXFFZTMASA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261561468 135203008 /nfs/dbraw/zinc/20/30/08/135203008.db2.gz AOHHZXICZCXRSS-GXFFZTMASA-N 2 1 219.332 1.559 20 0 BDADMP C(C[N@H+]1CCC2(C1)CCOCC2)[C@H]1CC[NH2+]C1 ZINC000261567057 135209143 /nfs/dbraw/zinc/20/91/43/135209143.db2.gz ZLYDQPRQHGXWJG-CYBMUJFWSA-N 2 1 238.375 1.489 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]12 ZINC000261570962 135212749 /nfs/dbraw/zinc/21/27/49/135212749.db2.gz HFGJOFGGQVYRRN-QNWHQSFQSA-N 2 1 224.348 1.082 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261570979 135212941 /nfs/dbraw/zinc/21/29/41/135212941.db2.gz HGIIEYRPNYLEAJ-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261572476 135215316 /nfs/dbraw/zinc/21/53/16/135215316.db2.gz LPYYRDMJHNXDSQ-UONOGXRCSA-N 2 1 246.354 1.737 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261572476 135215317 /nfs/dbraw/zinc/21/53/17/135215317.db2.gz LPYYRDMJHNXDSQ-UONOGXRCSA-N 2 1 246.354 1.737 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261576537 135217451 /nfs/dbraw/zinc/21/74/51/135217451.db2.gz NSFGAICTQJHRCZ-VXGBXAGGSA-N 2 1 247.342 1.279 20 0 BDADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261575986 135217592 /nfs/dbraw/zinc/21/75/92/135217592.db2.gz NMHLMKPMEAHNDD-NWANDNLSSA-N 2 1 246.354 1.864 20 0 BDADMP Cc1cccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000261578204 135219182 /nfs/dbraw/zinc/21/91/82/135219182.db2.gz LOHOTBJSMVRYQX-NWDGAFQWSA-N 2 1 217.316 1.436 20 0 BDADMP COc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261578468 135219788 /nfs/dbraw/zinc/21/97/88/135219788.db2.gz PADCJAKRNZJABK-UKRRQHHQSA-N 2 1 246.354 1.879 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261578468 135219790 /nfs/dbraw/zinc/21/97/90/135219790.db2.gz PADCJAKRNZJABK-UKRRQHHQSA-N 2 1 246.354 1.879 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000261596812 135235963 /nfs/dbraw/zinc/23/59/63/135235963.db2.gz YXAAPUBXMKZEAF-GFCCVEGCSA-N 2 1 212.337 1.084 20 0 BDADMP CCc1nc(N2CC[C@@H]([C@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000261545963 135238908 /nfs/dbraw/zinc/23/89/08/135238908.db2.gz GMEUVZFPLXNAFV-WDEREUQCSA-N 2 1 234.347 1.521 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261547392 135240516 /nfs/dbraw/zinc/24/05/16/135240516.db2.gz MHUNNKFTNARLAI-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261547392 135240517 /nfs/dbraw/zinc/24/05/17/135240517.db2.gz MHUNNKFTNARLAI-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000261547192 135240531 /nfs/dbraw/zinc/24/05/31/135240531.db2.gz LZYIVMFMSZCCCV-JHJVBQTASA-N 2 1 208.349 1.860 20 0 BDADMP COc1ccc2c(c1)CC[N@@H+](CC(C)(C)[NH3+])CC2 ZINC000261646202 135242878 /nfs/dbraw/zinc/24/28/78/135242878.db2.gz AQAFMNMOGDSPBN-UHFFFAOYSA-N 2 1 248.370 1.833 20 0 BDADMP COc1ccc2c(c1)CC[N@H+](CC(C)(C)[NH3+])CC2 ZINC000261646202 135242879 /nfs/dbraw/zinc/24/28/79/135242879.db2.gz AQAFMNMOGDSPBN-UHFFFAOYSA-N 2 1 248.370 1.833 20 0 BDADMP C[C@@]1(C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000261734787 135249122 /nfs/dbraw/zinc/24/91/22/135249122.db2.gz HRIFCYHFENSZLC-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@]1(C[N@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]C1 ZINC000261734787 135249124 /nfs/dbraw/zinc/24/91/24/135249124.db2.gz HRIFCYHFENSZLC-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261768580 135251929 /nfs/dbraw/zinc/25/19/29/135251929.db2.gz DOATVVOPULFCJT-BZPMIXESSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000261768580 135251931 /nfs/dbraw/zinc/25/19/31/135251931.db2.gz DOATVVOPULFCJT-BZPMIXESSA-N 2 1 238.375 1.485 20 0 BDADMP COCC(C)(C)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261782191 135252747 /nfs/dbraw/zinc/25/27/47/135252747.db2.gz FNBZGENQCBBIKH-RYUDHWBXSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261846895 135256895 /nfs/dbraw/zinc/25/68/95/135256895.db2.gz AXNLTOGLWZFEQV-KSTCHIGDSA-N 2 1 238.375 1.389 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882888 135260027 /nfs/dbraw/zinc/26/00/27/135260027.db2.gz RINBNJCQOCZPQN-CHWSQXEVSA-N 2 1 224.348 1.098 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC000261963897 135267395 /nfs/dbraw/zinc/26/73/95/135267395.db2.gz POUUNOZTGIHLSF-REWJHTLYSA-N 2 1 238.375 1.472 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044559 135275706 /nfs/dbraw/zinc/27/57/06/135275706.db2.gz PNRVUJZZESORPO-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000262047108 135276282 /nfs/dbraw/zinc/27/62/82/135276282.db2.gz PVAILOIXGHDZPI-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000262047108 135276283 /nfs/dbraw/zinc/27/62/83/135276283.db2.gz PVAILOIXGHDZPI-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000262086550 135277720 /nfs/dbraw/zinc/27/77/20/135277720.db2.gz UIRLAJNMXHQSQE-UHFFFAOYSA-N 2 1 245.370 1.966 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262106161 135279318 /nfs/dbraw/zinc/27/93/18/135279318.db2.gz VYTCJJWKTKUKGA-MJBXVCDLSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H](N)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262131352 135280366 /nfs/dbraw/zinc/28/03/66/135280366.db2.gz OBNRSZCGWRDNAI-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000262131352 135280367 /nfs/dbraw/zinc/28/03/67/135280367.db2.gz OBNRSZCGWRDNAI-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262144624 135281214 /nfs/dbraw/zinc/28/12/14/135281214.db2.gz ZKTXBLNUGNXVJE-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](CCOCC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262173245 135283961 /nfs/dbraw/zinc/28/39/61/135283961.db2.gz VPBXSVVLBZXTOA-ZACCUICWSA-N 2 1 248.317 1.483 20 0 BDADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)on1 ZINC000334313670 135351786 /nfs/dbraw/zinc/35/17/86/135351786.db2.gz YFEJDVBPNURQRW-TZMCWYRMSA-N 2 1 249.358 1.899 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccn(C)c2)[C@@H](C)C1 ZINC000268884993 135364028 /nfs/dbraw/zinc/36/40/28/135364028.db2.gz BXEPHPINPPFYJL-JSGCOSHPSA-N 2 1 235.375 1.845 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000084220869 135468210 /nfs/dbraw/zinc/46/82/10/135468210.db2.gz ZOOOPSILCRNBDZ-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348257871 135485257 /nfs/dbraw/zinc/48/52/57/135485257.db2.gz TZCBCYMSDIAWRP-IHRRRGAJSA-N 2 1 240.391 1.467 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000335032486 135869539 /nfs/dbraw/zinc/86/95/39/135869539.db2.gz ZHGDOHYJZAEOKC-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP Oc1cccnc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347882894 136015029 /nfs/dbraw/zinc/01/50/29/136015029.db2.gz VIXKYRVEYUCOIZ-NEPJUHHUSA-N 2 1 247.342 1.504 20 0 BDADMP Nc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000335315036 136024317 /nfs/dbraw/zinc/02/43/17/136024317.db2.gz QLHSTUMXOAXVNJ-UHFFFAOYSA-N 2 1 245.370 1.844 20 0 BDADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[NH3+])CC3 ZINC000335565089 136107669 /nfs/dbraw/zinc/10/76/69/136107669.db2.gz NINSAGJTKUEBCH-LLVKDONJSA-N 2 1 243.354 1.882 20 0 BDADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)ccn1 ZINC000348641128 136114577 /nfs/dbraw/zinc/11/45/77/136114577.db2.gz KJNHTKRLYMEFEF-NSHDSACASA-N 2 1 249.358 1.835 20 0 BDADMP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)nc1 ZINC000647531370 397780014 /nfs/dbraw/zinc/78/00/14/397780014.db2.gz RIZPWNFPJFIAED-UHFFFAOYSA-N 2 1 219.332 1.703 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156882964 397927198 /nfs/dbraw/zinc/92/71/98/397927198.db2.gz CISAFUFOWDBYMA-YFKTTZPYSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156882964 397927203 /nfs/dbraw/zinc/92/72/03/397927203.db2.gz CISAFUFOWDBYMA-YFKTTZPYSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226436349 397966532 /nfs/dbraw/zinc/96/65/32/397966532.db2.gz SBMKYFRDUKQKNM-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]CCCNc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000647703785 397952703 /nfs/dbraw/zinc/95/27/03/397952703.db2.gz ACUYXWVLFFKKDD-UHFFFAOYSA-N 2 1 233.319 1.596 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000390556395 397895791 /nfs/dbraw/zinc/89/57/91/397895791.db2.gz QPJIICAKESBATH-IJLUTSLNSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000390556395 397895794 /nfs/dbraw/zinc/89/57/94/397895794.db2.gz QPJIICAKESBATH-IJLUTSLNSA-N 2 1 226.389 1.423 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H]1CCC[NH+]1C ZINC000649572918 397964500 /nfs/dbraw/zinc/96/45/00/397964500.db2.gz NGTRDOBUJWEZMB-JHJVBQTASA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C[C@H]1CCC[N@@H+]1C ZINC000649572918 397964504 /nfs/dbraw/zinc/96/45/04/397964504.db2.gz NGTRDOBUJWEZMB-JHJVBQTASA-N 2 1 225.380 1.105 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C[C@H]1CCC[N@H+]1C ZINC000649572918 397964507 /nfs/dbraw/zinc/96/45/07/397964507.db2.gz NGTRDOBUJWEZMB-JHJVBQTASA-N 2 1 225.380 1.105 20 0 BDADMP CC[C@H]1C[N@@H+](CC)CCN1C[C@H]1CCC[NH+]1C ZINC000649622766 398006510 /nfs/dbraw/zinc/00/65/10/398006510.db2.gz UFMBOEIMQBBJAV-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H]1C[NH+](CC)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649622766 398006512 /nfs/dbraw/zinc/00/65/12/398006512.db2.gz UFMBOEIMQBBJAV-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H]1C[NH+](CC)CCN1C[C@H]1CCC[N@H+]1C ZINC000649622766 398006517 /nfs/dbraw/zinc/00/65/17/398006517.db2.gz UFMBOEIMQBBJAV-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000303300842 398012776 /nfs/dbraw/zinc/01/27/76/398012776.db2.gz PWFUTHCACVEBLR-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000373115394 398013943 /nfs/dbraw/zinc/01/39/43/398013943.db2.gz KAKUSJRDVHOFPV-NSHDSACASA-N 2 1 246.314 1.788 20 0 BDADMP Cc1cncc([C@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000184252023 398013985 /nfs/dbraw/zinc/01/39/85/398013985.db2.gz PJEVNDWGVYQYGI-LBPRGKRZSA-N 2 1 221.348 1.992 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC000160602476 398016944 /nfs/dbraw/zinc/01/69/44/398016944.db2.gz LAUMHCXFDXUTRD-DTWKUNHWSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000160602476 398016946 /nfs/dbraw/zinc/01/69/46/398016946.db2.gz LAUMHCXFDXUTRD-DTWKUNHWSA-N 2 1 211.334 1.312 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000121493733 398019528 /nfs/dbraw/zinc/01/95/28/398019528.db2.gz NFESNKGWPOBMTA-VXGBXAGGSA-N 2 1 239.363 1.842 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781804 398037560 /nfs/dbraw/zinc/03/75/60/398037560.db2.gz DDCLLQBOIBXZNG-ZOBORPQBSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC[NH2+]1 ZINC000414781804 398037564 /nfs/dbraw/zinc/03/75/64/398037564.db2.gz DDCLLQBOIBXZNG-ZOBORPQBSA-N 3 1 237.391 1.058 20 0 BDADMP CC[C@@](C)([NH3+])c1cn(CCn2cc[nH+]c2C)nn1 ZINC000384140044 398070098 /nfs/dbraw/zinc/07/00/98/398070098.db2.gz DAOOXSJGDXHTQP-GFCCVEGCSA-N 2 1 248.334 1.067 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224115497 398102568 /nfs/dbraw/zinc/10/25/68/398102568.db2.gz CISAFUFOWDBYMA-IRCOFANPSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224115497 398102569 /nfs/dbraw/zinc/10/25/69/398102569.db2.gz CISAFUFOWDBYMA-IRCOFANPSA-N 2 1 214.353 1.482 20 0 BDADMP Cc1cc(N(C)C2CC([NH3+])C2)nc(C)[nH+]1 ZINC000384927926 398120076 /nfs/dbraw/zinc/12/00/76/398120076.db2.gz CMUWVRYXULSKNZ-UHFFFAOYSA-N 2 1 206.293 1.019 20 0 BDADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000062013617 398110348 /nfs/dbraw/zinc/11/03/48/398110348.db2.gz AUGOLHCDEJQADW-JOYOIKCWSA-N 2 1 242.750 1.652 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414979680 398134339 /nfs/dbraw/zinc/13/43/39/398134339.db2.gz OGLPLPZFHLDHIF-NSHDSACASA-N 2 1 218.304 1.390 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000680338568 487567836 /nfs/dbraw/zinc/56/78/36/487567836.db2.gz FFJYTEUNAGOQCI-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367422443 167216390 /nfs/dbraw/zinc/21/63/90/167216390.db2.gz GKZQOVWTDSVGFJ-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367422443 167216393 /nfs/dbraw/zinc/21/63/93/167216393.db2.gz GKZQOVWTDSVGFJ-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000367422443 167216398 /nfs/dbraw/zinc/21/63/98/167216398.db2.gz GKZQOVWTDSVGFJ-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000367422443 167216401 /nfs/dbraw/zinc/21/64/01/167216401.db2.gz GKZQOVWTDSVGFJ-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP [NH3+]CCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000334879501 487578185 /nfs/dbraw/zinc/57/81/85/487578185.db2.gz COAFDGNVUFRWJC-UHFFFAOYSA-N 2 1 216.328 1.883 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000336679604 167216857 /nfs/dbraw/zinc/21/68/57/167216857.db2.gz ALMQLIAUOJWWLK-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228477539 167237659 /nfs/dbraw/zinc/23/76/59/167237659.db2.gz ZGCLQYZWMKLWDW-YNEHKIRRSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000662265848 409559861 /nfs/dbraw/zinc/55/98/61/409559861.db2.gz JEVUVYFEKZQZTR-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CC=CC2)CCO1 ZINC000662247929 409543997 /nfs/dbraw/zinc/54/39/97/409543997.db2.gz OUOXKPVYQXGOKF-ZYHUDNBSSA-N 2 1 210.321 1.001 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CC=CC2)CCO1 ZINC000662247929 409544006 /nfs/dbraw/zinc/54/40/06/409544006.db2.gz OUOXKPVYQXGOKF-ZYHUDNBSSA-N 2 1 210.321 1.001 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251668 409548521 /nfs/dbraw/zinc/54/85/21/409548521.db2.gz DGVMTWQGCAXHSW-NWDGAFQWSA-N 2 1 224.348 1.382 20 0 BDADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)C(C)C ZINC000662255360 409551754 /nfs/dbraw/zinc/55/17/54/409551754.db2.gz YCKLKMIIRRFKMF-OLZOCXBDSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255576 409552699 /nfs/dbraw/zinc/55/26/99/409552699.db2.gz FCNKCJWNJKJXFH-IJLUTSLNSA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@H](C[N@H+](C)CC(C)(C)[NH3+])C1CCCC1 ZINC000662294175 409624972 /nfs/dbraw/zinc/62/49/72/409624972.db2.gz JLLCXKNSSADRJR-GFCCVEGCSA-N 2 1 228.380 1.861 20 0 BDADMP CO[C@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CCCC1 ZINC000662294175 409624979 /nfs/dbraw/zinc/62/49/79/409624979.db2.gz JLLCXKNSSADRJR-GFCCVEGCSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1=CCCOC1 ZINC000662304719 409627693 /nfs/dbraw/zinc/62/76/93/409627693.db2.gz AEYUCIXPDWKTBO-LBPRGKRZSA-N 2 1 224.348 1.265 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282557 409606956 /nfs/dbraw/zinc/60/69/56/409606956.db2.gz CFLYARCHRNWRHZ-UJPOAAIJSA-N 2 1 208.349 1.844 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CC1(C)C ZINC000662344745 409656139 /nfs/dbraw/zinc/65/61/39/409656139.db2.gz SEGIGUAZJDSJQB-VXGBXAGGSA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CC1(C)C ZINC000662344745 409656143 /nfs/dbraw/zinc/65/61/43/409656143.db2.gz SEGIGUAZJDSJQB-VXGBXAGGSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662344745 409656148 /nfs/dbraw/zinc/65/61/48/409656148.db2.gz SEGIGUAZJDSJQB-VXGBXAGGSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662344745 409656151 /nfs/dbraw/zinc/65/61/51/409656151.db2.gz SEGIGUAZJDSJQB-VXGBXAGGSA-N 2 1 228.380 1.277 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCC[NH2+]1 ZINC000422745122 409713655 /nfs/dbraw/zinc/71/36/55/409713655.db2.gz LQSVVKRXDAIFAJ-SJHCENCUSA-N 2 1 224.348 1.427 20 0 BDADMP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621827 409793798 /nfs/dbraw/zinc/79/37/98/409793798.db2.gz XAACXYSNUYEGHJ-GHMZBOCLSA-N 2 1 241.379 1.103 20 0 BDADMP CS[C@@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC000090725703 410008982 /nfs/dbraw/zinc/00/89/82/410008982.db2.gz TYDKBVCLNHEAHM-VIFPVBQESA-N 2 1 202.367 1.422 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2C)CC[C@@H]1[NH3+] ZINC000128282231 410208671 /nfs/dbraw/zinc/20/86/71/410208671.db2.gz QVOYVRBBWXJJBX-AAEUAGOBSA-N 2 1 236.363 1.288 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2C)CC[C@@H]1[NH3+] ZINC000128282231 410208676 /nfs/dbraw/zinc/20/86/76/410208676.db2.gz QVOYVRBBWXJJBX-AAEUAGOBSA-N 2 1 236.363 1.288 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000663514184 410284963 /nfs/dbraw/zinc/28/49/63/410284963.db2.gz OAXHQBIYHGFMRZ-GHMZBOCLSA-N 2 1 224.323 1.954 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000650739962 410371338 /nfs/dbraw/zinc/37/13/38/410371338.db2.gz CQNXRJFCWNLSTL-UONOGXRCSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000650762010 410408844 /nfs/dbraw/zinc/40/88/44/410408844.db2.gz QBHNGWLGQXIFGS-GXTWGEPZSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@@H](NCCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000650761641 410410017 /nfs/dbraw/zinc/41/00/17/410410017.db2.gz GDXCIGJOLOBSSH-DGCLKSJQSA-N 2 1 225.380 1.106 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCSCC1 ZINC000309259416 410667423 /nfs/dbraw/zinc/66/74/23/410667423.db2.gz OVVBCUKMNMSSOI-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCSCC1 ZINC000309259416 410667427 /nfs/dbraw/zinc/66/74/27/410667427.db2.gz OVVBCUKMNMSSOI-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCSCC1 ZINC000309259416 410667432 /nfs/dbraw/zinc/66/74/32/410667432.db2.gz OVVBCUKMNMSSOI-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCSCC1 ZINC000309259416 410667436 /nfs/dbraw/zinc/66/74/36/410667436.db2.gz OVVBCUKMNMSSOI-LBPRGKRZSA-N 2 1 246.420 1.126 20 0 BDADMP C[C@@H]([NH2+]CCc1ccoc1)[C@@H]1CCC[NH2+]1 ZINC000665262143 410736299 /nfs/dbraw/zinc/73/62/99/410736299.db2.gz VDCVYVIIBOEEOE-PWSUYJOCSA-N 2 1 208.305 1.552 20 0 BDADMP CCc1nn(C)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000393829800 410760055 /nfs/dbraw/zinc/76/00/55/410760055.db2.gz IWCSLMAZHALRFR-NSHDSACASA-N 2 1 238.379 1.270 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1nccn1C ZINC000665282705 410761460 /nfs/dbraw/zinc/76/14/60/410761460.db2.gz AARKCQTYGHYNLT-DCAQKATOSA-N 2 1 222.336 1.198 20 0 BDADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000665297811 410824215 /nfs/dbraw/zinc/82/42/15/410824215.db2.gz LZAFFJPLNYVOTE-RVMXOQNASA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(N)c1 ZINC000653299417 410818600 /nfs/dbraw/zinc/81/86/00/410818600.db2.gz SUAAUWQMZRGCLT-MFKMUULPSA-N 2 1 219.332 1.580 20 0 BDADMP CC(C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000037482876 167101715 /nfs/dbraw/zinc/10/17/15/167101715.db2.gz MANSBMMQUFKIJX-BETUJISGSA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000125518973 167102103 /nfs/dbraw/zinc/10/21/03/167102103.db2.gz RLYMSKCXTZVQIA-GFCCVEGCSA-N 2 1 214.353 1.221 20 0 BDADMP CC(C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370612630 167134781 /nfs/dbraw/zinc/13/47/81/167134781.db2.gz OQSJHGQNQCFOSL-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370612630 167134783 /nfs/dbraw/zinc/13/47/83/167134783.db2.gz OQSJHGQNQCFOSL-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000336755195 167216563 /nfs/dbraw/zinc/21/65/63/167216563.db2.gz XOEAUCIAGXASMI-NEPJUHHUSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566903 167217196 /nfs/dbraw/zinc/21/71/96/167217196.db2.gz BNWRVRDTIHVREJ-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000043325094 167223250 /nfs/dbraw/zinc/22/32/50/167223250.db2.gz JJVJWTCAMAUJMC-NSHDSACASA-N 2 1 200.326 1.143 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)CCF)[C@H](C)C1 ZINC000652019086 410999723 /nfs/dbraw/zinc/99/97/23/410999723.db2.gz JIYCNMMVPJLCQP-UTUOFQBUSA-N 2 1 232.343 1.027 20 0 BDADMP C[NH+]1CCC([NH2+]CCC2(CO)CCC2)CC1 ZINC000652036181 411085410 /nfs/dbraw/zinc/08/54/10/411085410.db2.gz XOAAMCQBMBIWPB-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000300887251 411127933 /nfs/dbraw/zinc/12/79/33/411127933.db2.gz JMDMHBPPDMDZIC-RWMBFGLXSA-N 2 1 228.380 1.717 20 0 BDADMP CC(C)C[C@H](C)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000300887251 411127934 /nfs/dbraw/zinc/12/79/34/411127934.db2.gz JMDMHBPPDMDZIC-RWMBFGLXSA-N 2 1 228.380 1.717 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000651864885 411147941 /nfs/dbraw/zinc/14/79/41/411147941.db2.gz HXGVCHPODZXCEK-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP C[C@H](O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000655949221 411161326 /nfs/dbraw/zinc/16/13/26/411161326.db2.gz PZOHAHFESDXGAV-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655947680 411161533 /nfs/dbraw/zinc/16/15/33/411161533.db2.gz VKAHHRYGSNNJKF-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@H]1CO ZINC000653783940 411170140 /nfs/dbraw/zinc/17/01/40/411170140.db2.gz YTZKUOPWVFZKQD-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@H]1CO ZINC000653783940 411170144 /nfs/dbraw/zinc/17/01/44/411170144.db2.gz YTZKUOPWVFZKQD-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@H]1CO ZINC000653783940 411170147 /nfs/dbraw/zinc/17/01/47/411170147.db2.gz YTZKUOPWVFZKQD-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP COc1c(C)ncnc1NCC[N@@H+](C)C(C)C ZINC000656116419 411182129 /nfs/dbraw/zinc/18/21/29/411182129.db2.gz NDNVQAANEZYROE-UHFFFAOYSA-N 2 1 238.335 1.546 20 0 BDADMP C(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCC1 ZINC000655754169 411184007 /nfs/dbraw/zinc/18/40/07/411184007.db2.gz LAPHFZGUIYGJOL-KGLIPLIRSA-N 2 1 237.391 1.299 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CN1CCC1 ZINC000655754169 411184009 /nfs/dbraw/zinc/18/40/09/411184009.db2.gz LAPHFZGUIYGJOL-KGLIPLIRSA-N 2 1 237.391 1.299 20 0 BDADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CN1CCC1 ZINC000655754169 411184013 /nfs/dbraw/zinc/18/40/13/411184013.db2.gz LAPHFZGUIYGJOL-KGLIPLIRSA-N 2 1 237.391 1.299 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C[C@@H](C)O)C1CC1 ZINC000656195075 411201114 /nfs/dbraw/zinc/20/11/14/411201114.db2.gz YOTITHYAPPQMAK-GHMZBOCLSA-N 2 1 214.353 1.205 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000656195075 411201117 /nfs/dbraw/zinc/20/11/17/411201117.db2.gz YOTITHYAPPQMAK-GHMZBOCLSA-N 2 1 214.353 1.205 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCCN1 ZINC000656199678 411203372 /nfs/dbraw/zinc/20/33/72/411203372.db2.gz AWKZURVZDGZXLY-IGQOVBAYSA-N 2 1 239.407 1.447 20 0 BDADMP CCn1cc(C[N@H+](CCC[NH2+]C)C(C)C)cn1 ZINC000652358476 411214559 /nfs/dbraw/zinc/21/45/59/411214559.db2.gz IYXIIPRBLDDGSW-UHFFFAOYSA-N 2 1 238.379 1.723 20 0 BDADMP CCn1cc(C[N@@H+](CCC[NH2+]C)C(C)C)cn1 ZINC000652358476 411214564 /nfs/dbraw/zinc/21/45/64/411214564.db2.gz IYXIIPRBLDDGSW-UHFFFAOYSA-N 2 1 238.379 1.723 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1C[NH3+] ZINC000652356908 411215148 /nfs/dbraw/zinc/21/51/48/411215148.db2.gz PFDZQVQOHACAOZ-CHWSQXEVSA-N 2 1 244.379 1.099 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653902469 411219574 /nfs/dbraw/zinc/21/95/74/411219574.db2.gz TZQYNKXSNAWCOP-SNVBAGLBSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)O)C1CC1 ZINC000653902469 411219577 /nfs/dbraw/zinc/21/95/77/411219577.db2.gz TZQYNKXSNAWCOP-SNVBAGLBSA-N 2 1 223.320 1.037 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000660079948 411221115 /nfs/dbraw/zinc/22/11/15/411221115.db2.gz VCRLERWNSBHSQU-CQSZACIVSA-N 2 1 242.407 1.950 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1CCC1 ZINC000660079948 411221118 /nfs/dbraw/zinc/22/11/18/411221118.db2.gz VCRLERWNSBHSQU-CQSZACIVSA-N 2 1 242.407 1.950 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1CCC1 ZINC000660079948 411221131 /nfs/dbraw/zinc/22/11/31/411221131.db2.gz VCRLERWNSBHSQU-CQSZACIVSA-N 2 1 242.407 1.950 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNc1ccccn1 ZINC000422827714 411233761 /nfs/dbraw/zinc/23/37/61/411233761.db2.gz FFKTWYGSQYGRLW-OLZOCXBDSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000215703408 411235213 /nfs/dbraw/zinc/23/52/13/411235213.db2.gz ZLDWMAUSZIMRRX-GFCCVEGCSA-N 2 1 237.347 1.739 20 0 BDADMP CCn1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000423173659 411236661 /nfs/dbraw/zinc/23/66/61/411236661.db2.gz ZOHCVHCRKIXFBP-VHSXEESVSA-N 2 1 210.325 1.118 20 0 BDADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423232930 411237811 /nfs/dbraw/zinc/23/78/11/411237811.db2.gz JCUKAFPTIVPPHC-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2cccnc2C)CC[C@H]1[NH3+] ZINC000310516698 411239222 /nfs/dbraw/zinc/23/92/22/411239222.db2.gz RVPUPYLGXVEBJG-TZMCWYRMSA-N 2 1 233.359 1.949 20 0 BDADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000402581429 411267711 /nfs/dbraw/zinc/26/77/11/411267711.db2.gz DINFFFOYERPJSL-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@@H+](Cc1ccsc1)C[C@H]1CC[NH2+]C1 ZINC000051889945 411284899 /nfs/dbraw/zinc/28/48/99/411284899.db2.gz GVYRBTCDRZSFLE-JTQLQIEISA-N 2 1 210.346 1.789 20 0 BDADMP C[N@H+](Cc1ccsc1)C[C@H]1CC[NH2+]C1 ZINC000051889945 411284901 /nfs/dbraw/zinc/28/49/01/411284901.db2.gz GVYRBTCDRZSFLE-JTQLQIEISA-N 2 1 210.346 1.789 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000658189992 411285736 /nfs/dbraw/zinc/28/57/36/411285736.db2.gz BAIVNXGAASJQIW-YVECIDJPSA-N 2 1 226.364 1.220 20 0 BDADMP CCC(CC)[N@@H+](CCOC)C[C@H]1CC[NH2+]C1 ZINC000051889831 411285737 /nfs/dbraw/zinc/28/57/37/411285737.db2.gz GJFUWDRHWYGBOE-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000401719406 411299201 /nfs/dbraw/zinc/29/92/01/411299201.db2.gz INFAMZNVMVVBPV-SRVKXCTJSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2ccccc2)C1 ZINC000401710707 411299258 /nfs/dbraw/zinc/29/92/58/411299258.db2.gz VMGNNXIKVSYAPZ-GXTWGEPZSA-N 2 1 218.344 1.817 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nc1 ZINC000310970209 411302274 /nfs/dbraw/zinc/30/22/74/411302274.db2.gz IAKFFRHIFCKEKR-ZFWWWQNUSA-N 2 1 245.370 1.951 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661831430 411317141 /nfs/dbraw/zinc/31/71/41/411317141.db2.gz OHKUEMNQNUYAKX-CHWSQXEVSA-N 2 1 249.358 1.475 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC2(C1)CCOCC2 ZINC000303392199 411317947 /nfs/dbraw/zinc/31/79/47/411317947.db2.gz WPIKFOVXOVNTRC-GFCCVEGCSA-N 2 1 224.348 1.098 20 0 BDADMP CC(C)[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656700572 411326061 /nfs/dbraw/zinc/32/60/61/411326061.db2.gz XGDSRYBDASGVMP-CHWSQXEVSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656700572 411326064 /nfs/dbraw/zinc/32/60/64/411326064.db2.gz XGDSRYBDASGVMP-CHWSQXEVSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000656700572 411326067 /nfs/dbraw/zinc/32/60/67/411326067.db2.gz XGDSRYBDASGVMP-CHWSQXEVSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000656700572 411326070 /nfs/dbraw/zinc/32/60/70/411326070.db2.gz XGDSRYBDASGVMP-CHWSQXEVSA-N 2 1 228.380 1.418 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000404068220 411374203 /nfs/dbraw/zinc/37/42/03/411374203.db2.gz LCVFLMYDEZISJP-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n[nH]1 ZINC000656786968 411365622 /nfs/dbraw/zinc/36/56/22/411365622.db2.gz YKANMMRKTBKMLN-ZDUSSCGKSA-N 2 1 248.374 1.621 20 0 BDADMP [NH3+][C@H](C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000656787291 411366421 /nfs/dbraw/zinc/36/64/21/411366421.db2.gz WSJAFZXJLDJGCU-OAHLLOKOSA-N 3 1 245.370 1.159 20 0 BDADMP C[C@@]12COC[C@]1(C)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000656788163 411367089 /nfs/dbraw/zinc/36/70/89/411367089.db2.gz QHFUQBWWAQSFAR-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+]CC2(N)CCCC2)CC[NH2+]1 ZINC000656789525 411368889 /nfs/dbraw/zinc/36/88/89/411368889.db2.gz PMCTYUNWWFLVKX-VXGBXAGGSA-N 2 1 225.380 1.236 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCCC1CCC1)C1CC1 ZINC000656710883 411337462 /nfs/dbraw/zinc/33/74/62/411337462.db2.gz NKZOBSJFCBROPR-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCCC1CCC1)C1CC1 ZINC000656710883 411337464 /nfs/dbraw/zinc/33/74/64/411337464.db2.gz NKZOBSJFCBROPR-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC)[C@H](C)C1 ZINC000658330360 411338256 /nfs/dbraw/zinc/33/82/56/411338256.db2.gz CXUQZWGXELNXBP-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP CCc1noc(C[NH+]2CCC(C[NH2+]C)CC2)n1 ZINC000063166145 411345580 /nfs/dbraw/zinc/34/55/80/411345580.db2.gz VVWCFXNOHFSKSC-UHFFFAOYSA-N 2 1 238.335 1.063 20 0 BDADMP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)O1 ZINC000401842388 411346324 /nfs/dbraw/zinc/34/63/24/411346324.db2.gz OSIJLZHOYCVCBL-YFKTTZPYSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665076 411377177 /nfs/dbraw/zinc/37/71/77/411377177.db2.gz TZMVRWAJJYYAOP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](O)CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665076 411377179 /nfs/dbraw/zinc/37/71/79/411377179.db2.gz TZMVRWAJJYYAOP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](O)CCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665076 411377182 /nfs/dbraw/zinc/37/71/82/411377182.db2.gz TZMVRWAJJYYAOP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+](C)C ZINC000340031829 168171321 /nfs/dbraw/zinc/17/13/21/168171321.db2.gz FQSPCDUCTPOBGY-NSHDSACASA-N 2 1 226.368 1.193 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404309029 411389972 /nfs/dbraw/zinc/38/99/72/411389972.db2.gz JMNPKXJPFYBAKE-VXGBXAGGSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCF)[C@H]1CC[NH3+] ZINC000404305402 411390099 /nfs/dbraw/zinc/39/00/99/411390099.db2.gz RUMMUZWIUMSQLP-QWRGUYRKSA-N 2 1 202.317 1.795 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294439 411455862 /nfs/dbraw/zinc/45/58/62/411455862.db2.gz COYYEWGRHGBKEA-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294439 411455864 /nfs/dbraw/zinc/45/58/64/411455864.db2.gz COYYEWGRHGBKEA-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294439 411455865 /nfs/dbraw/zinc/45/58/65/411455865.db2.gz COYYEWGRHGBKEA-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2cncn2C)[C@@H]1CC[NH3+] ZINC000404374588 411392571 /nfs/dbraw/zinc/39/25/71/411392571.db2.gz KGNJQJPGCHRSSP-WCQYABFASA-N 2 1 236.363 1.369 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000404800224 411408033 /nfs/dbraw/zinc/40/80/33/411408033.db2.gz YFSMGZYALPRFIC-NSHDSACASA-N 2 1 200.326 1.225 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C[NH3+] ZINC000405533066 411433717 /nfs/dbraw/zinc/43/37/17/411433717.db2.gz NOAZLWRCHFLZGE-BFHYXJOUSA-N 2 1 242.407 1.964 20 0 BDADMP COc1cccc2c1CC[C@H]([NH2+][C@H](C)C[NH3+])C2 ZINC000414924426 411468281 /nfs/dbraw/zinc/46/82/81/411468281.db2.gz HBQHZKDMHZHJPU-PWSUYJOCSA-N 2 1 234.343 1.489 20 0 BDADMP CC[N@H+](Cc1ccccn1)C[C@]1(C)CC[NH2+]C1 ZINC000094918313 169921534 /nfs/dbraw/zinc/92/15/34/169921534.db2.gz PPCIVLRFAJXQPB-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP CC[N@@H+](Cc1ccccn1)C[C@]1(C)CC[NH2+]C1 ZINC000094918313 169921535 /nfs/dbraw/zinc/92/15/35/169921535.db2.gz PPCIVLRFAJXQPB-CQSZACIVSA-N 2 1 233.359 1.903 20 0 BDADMP COC[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000660064799 411532715 /nfs/dbraw/zinc/53/27/15/411532715.db2.gz LFSOWZQEDPNRMC-CYBMUJFWSA-N 2 1 244.379 1.110 20 0 BDADMP C[NH+](C)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000659838835 411470836 /nfs/dbraw/zinc/47/08/36/411470836.db2.gz PTKFHWLDBUMDOA-GFCCVEGCSA-N 2 1 226.364 1.580 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657337179 411471516 /nfs/dbraw/zinc/47/15/16/411471516.db2.gz LKPCZMHTFPYVSJ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C(CC1CCC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659850489 411476532 /nfs/dbraw/zinc/47/65/32/411476532.db2.gz QSBKQFUPCICRCJ-BETUJISGSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1ncc(C[NH2+]CC2=CC[N@@H+](C)CC2)n1C ZINC000657427084 411503977 /nfs/dbraw/zinc/50/39/77/411503977.db2.gz LIFLHIIXTCUVLY-UHFFFAOYSA-N 2 1 234.347 1.080 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CCC1 ZINC000659939484 411504447 /nfs/dbraw/zinc/50/44/47/411504447.db2.gz HQIRXKKEQPZIKM-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000659939484 411504448 /nfs/dbraw/zinc/50/44/48/411504448.db2.gz HQIRXKKEQPZIKM-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000659939484 411504451 /nfs/dbraw/zinc/50/44/51/411504451.db2.gz HQIRXKKEQPZIKM-ZDUSSCGKSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000655805851 411520773 /nfs/dbraw/zinc/52/07/73/411520773.db2.gz MEEPJYPGVHKSKF-IGQOVBAYSA-N 3 1 239.407 1.399 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCN1C ZINC000655805851 411520776 /nfs/dbraw/zinc/52/07/76/411520776.db2.gz MEEPJYPGVHKSKF-IGQOVBAYSA-N 2 1 239.407 1.399 20 0 BDADMP COCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000655835702 411532284 /nfs/dbraw/zinc/53/22/84/411532284.db2.gz SUKZKAWHAJYDOH-UHFFFAOYSA-N 2 1 249.358 1.664 20 0 BDADMP COC[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000660064800 411532337 /nfs/dbraw/zinc/53/23/37/411532337.db2.gz LFSOWZQEDPNRMC-ZDUSSCGKSA-N 2 1 244.379 1.110 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000353910405 170009196 /nfs/dbraw/zinc/00/91/96/170009196.db2.gz DLNCTJLCDZCIND-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)O)[C@@H](C)C1 ZINC000360471765 170009495 /nfs/dbraw/zinc/00/94/95/170009495.db2.gz COWUYRKVGNKKMN-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)O)[C@@H](C)C1 ZINC000360471765 170009496 /nfs/dbraw/zinc/00/94/96/170009496.db2.gz COWUYRKVGNKKMN-QWHCGFSZSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC000328515517 170012093 /nfs/dbraw/zinc/01/20/93/170012093.db2.gz PKKCOWCUNIGBDB-CQSZACIVSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300230736 170015218 /nfs/dbraw/zinc/01/52/18/170015218.db2.gz CVJAHRYAGMZDNM-VXGBXAGGSA-N 2 1 228.405 1.671 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250336067 170016589 /nfs/dbraw/zinc/01/65/89/170016589.db2.gz PCDXNGMZHSFLMM-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@@H+]1CC[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250336067 170016590 /nfs/dbraw/zinc/01/65/90/170016590.db2.gz PCDXNGMZHSFLMM-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250336067 170016591 /nfs/dbraw/zinc/01/65/91/170016591.db2.gz PCDXNGMZHSFLMM-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCOC2)[C@H](C)C1 ZINC000336717200 170019719 /nfs/dbraw/zinc/01/97/19/170019719.db2.gz WEQIMNQLBVDWTG-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCOC2)[C@H](C)C1 ZINC000336717200 170019721 /nfs/dbraw/zinc/01/97/21/170019721.db2.gz WEQIMNQLBVDWTG-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCOC2)[C@H](C)C1 ZINC000336717200 170019723 /nfs/dbraw/zinc/01/97/23/170019723.db2.gz WEQIMNQLBVDWTG-RDBSUJKOSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccn2)[C@H](C)C1 ZINC000151403419 170020077 /nfs/dbraw/zinc/02/00/77/170020077.db2.gz MPLZFJZKKGQBPV-HIFRSBDPSA-N 2 1 247.386 1.944 20 0 BDADMP Cn1cc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000657522192 411540899 /nfs/dbraw/zinc/54/08/99/411540899.db2.gz BJHQZKGPEYIEAU-GFCCVEGCSA-N 2 1 236.363 1.383 20 0 BDADMP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000657559774 411550709 /nfs/dbraw/zinc/55/07/09/411550709.db2.gz QSRDEZGBZBLGKI-MCIONIFRSA-N 2 1 238.375 1.364 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000314012727 411572618 /nfs/dbraw/zinc/57/26/18/411572618.db2.gz QYMBLRUIIQZJBU-KBPBESRZSA-N 2 1 249.358 1.510 20 0 BDADMP CCOCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353174405 170370832 /nfs/dbraw/zinc/37/08/32/170370832.db2.gz WXJWXOQRUZALHG-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CCOCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353174405 170370833 /nfs/dbraw/zinc/37/08/33/170370833.db2.gz WXJWXOQRUZALHG-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CCOCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353174405 170370834 /nfs/dbraw/zinc/37/08/34/170370834.db2.gz WXJWXOQRUZALHG-PBWFPOADSA-N 2 1 240.391 1.970 20 0 BDADMP CCOCCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000336683147 170374710 /nfs/dbraw/zinc/37/47/10/170374710.db2.gz SMYNXSGOLMLQMH-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000336683147 170374711 /nfs/dbraw/zinc/37/47/11/170374711.db2.gz SMYNXSGOLMLQMH-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000336683147 170374713 /nfs/dbraw/zinc/37/47/13/170374713.db2.gz SMYNXSGOLMLQMH-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000082666930 170396662 /nfs/dbraw/zinc/39/66/62/170396662.db2.gz HFYIATHHCSFUSI-GFCCVEGCSA-N 2 1 214.353 1.487 20 0 BDADMP CCOCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352503677 170396939 /nfs/dbraw/zinc/39/69/39/170396939.db2.gz ITVVVTKDZPCLGS-UHFFFAOYSA-N 2 1 228.380 1.864 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000660436309 411584219 /nfs/dbraw/zinc/58/42/19/411584219.db2.gz IJRFSYFNNHLWLG-KYGRNUTJSA-N 2 1 220.360 1.526 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000660436309 411584220 /nfs/dbraw/zinc/58/42/20/411584220.db2.gz IJRFSYFNNHLWLG-KYGRNUTJSA-N 2 1 220.360 1.526 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC000660436309 411584221 /nfs/dbraw/zinc/58/42/21/411584221.db2.gz IJRFSYFNNHLWLG-KYGRNUTJSA-N 2 1 220.360 1.526 20 0 BDADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657790094 411596576 /nfs/dbraw/zinc/59/65/76/411596576.db2.gz NCXKADLYMLIZFJ-LOWDOPEQSA-N 2 1 224.348 1.380 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659193 411613936 /nfs/dbraw/zinc/61/39/36/411613936.db2.gz NLYSBKXYQBSYSD-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659193 411613938 /nfs/dbraw/zinc/61/39/38/411613938.db2.gz NLYSBKXYQBSYSD-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659193 411613940 /nfs/dbraw/zinc/61/39/40/411613940.db2.gz NLYSBKXYQBSYSD-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C(F)F ZINC000657874871 411615318 /nfs/dbraw/zinc/61/53/18/411615318.db2.gz BURDNDMYKFFANT-IUCAKERBSA-N 2 1 238.322 1.178 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000133314825 411709887 /nfs/dbraw/zinc/70/98/87/411709887.db2.gz JKWDHHMRJMFKQF-WCQYABFASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000133314825 411709888 /nfs/dbraw/zinc/70/98/88/411709888.db2.gz JKWDHHMRJMFKQF-WCQYABFASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000133314427 411710243 /nfs/dbraw/zinc/71/02/43/411710243.db2.gz JKWDHHMRJMFKQF-AAEUAGOBSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000133314427 411710249 /nfs/dbraw/zinc/71/02/49/411710249.db2.gz JKWDHHMRJMFKQF-AAEUAGOBSA-N 2 1 226.364 1.615 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000663514759 411695861 /nfs/dbraw/zinc/69/58/61/411695861.db2.gz SQPKJWOSAXWRDC-YPMHNXCESA-N 2 1 210.365 1.964 20 0 BDADMP Cc1cc(CO)cc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000663521601 411697225 /nfs/dbraw/zinc/69/72/25/411697225.db2.gz VWTWCOSPZQOTNQ-UHFFFAOYSA-N 2 1 249.358 1.636 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661690561 411832550 /nfs/dbraw/zinc/83/25/50/411832550.db2.gz RQWQTWFMACCHSY-CHWSQXEVSA-N 2 1 246.370 1.371 20 0 BDADMP Cc1cc(CO)cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000664073218 411840130 /nfs/dbraw/zinc/84/01/30/411840130.db2.gz DSLMNVNCFWBLII-BJHJDKERSA-N 2 1 249.358 1.634 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661700505 411845797 /nfs/dbraw/zinc/84/57/97/411845797.db2.gz MRPVPSHZZABHFL-UONOGXRCSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661700505 411845801 /nfs/dbraw/zinc/84/58/01/411845801.db2.gz MRPVPSHZZABHFL-UONOGXRCSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc[nH+]1 ZINC000664242450 411895326 /nfs/dbraw/zinc/89/53/26/411895326.db2.gz NYDAKTUURIFDLJ-OLZOCXBDSA-N 2 1 249.358 1.333 20 0 BDADMP Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc[nH+]1 ZINC000664242450 411895331 /nfs/dbraw/zinc/89/53/31/411895331.db2.gz NYDAKTUURIFDLJ-OLZOCXBDSA-N 2 1 249.358 1.333 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1(C)COC1 ZINC000662174493 412020055 /nfs/dbraw/zinc/02/00/55/412020055.db2.gz CNEUXESQIUMCKC-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1(C)COC1 ZINC000662174493 412020058 /nfs/dbraw/zinc/02/00/58/412020058.db2.gz CNEUXESQIUMCKC-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@H](C)O ZINC000662179031 412020524 /nfs/dbraw/zinc/02/05/24/412020524.db2.gz FFHIUIZZAVJCNQ-NSHDSACASA-N 2 1 216.369 1.467 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@H](C)O ZINC000662179031 412020528 /nfs/dbraw/zinc/02/05/28/412020528.db2.gz FFHIUIZZAVJCNQ-NSHDSACASA-N 2 1 216.369 1.467 20 0 BDADMP CC[C@H](C)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154581 412009747 /nfs/dbraw/zinc/00/97/47/412009747.db2.gz XWJKJPPHAQBTSO-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CCCC[NH3+] ZINC000664718282 412014177 /nfs/dbraw/zinc/01/41/77/412014177.db2.gz BLHBDZNDZMYIBD-UHFFFAOYSA-N 2 1 243.395 1.352 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662222510 412031129 /nfs/dbraw/zinc/03/11/29/412031129.db2.gz FRZQTZSFEHMIPA-CQSZACIVSA-N 2 1 238.375 1.489 20 0 BDADMP CO[C@@H](C[N@@H+](C)CCC[NH3+])C1CCCC1 ZINC000662243934 412040149 /nfs/dbraw/zinc/04/01/49/412040149.db2.gz DJIIRJUSMWDNAS-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP CCC[N@@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250126 412046484 /nfs/dbraw/zinc/04/64/84/412046484.db2.gz YOXXQTNAVMMBLR-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250769 412048775 /nfs/dbraw/zinc/04/87/75/412048775.db2.gz NOXIQUQKTABHQS-QWHCGFSZSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662252875 412048962 /nfs/dbraw/zinc/04/89/62/412048962.db2.gz QTIWYRXRCXMLDM-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251528 412049284 /nfs/dbraw/zinc/04/92/84/412049284.db2.gz GMOIABHHBWRFQQ-CYBMUJFWSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256602 412051559 /nfs/dbraw/zinc/05/15/59/412051559.db2.gz WSXCCYYUKDPVSW-XQQFMLRXSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000135297567 171013500 /nfs/dbraw/zinc/01/35/00/171013500.db2.gz GCYMLPFWERHQQB-SECBINFHSA-N 2 1 238.335 1.495 20 0 BDADMP CC[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000135297567 171013503 /nfs/dbraw/zinc/01/35/03/171013503.db2.gz GCYMLPFWERHQQB-SECBINFHSA-N 2 1 238.335 1.495 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCS1 ZINC000133057472 171082819 /nfs/dbraw/zinc/08/28/19/171082819.db2.gz QMGOANQNZWKVHO-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nc(C)n1 ZINC000662271859 412062760 /nfs/dbraw/zinc/06/27/60/412062760.db2.gz JNZZJASJDRNHNT-ZDUSSCGKSA-N 2 1 248.374 1.654 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662279837 412071682 /nfs/dbraw/zinc/07/16/82/412071682.db2.gz MEYDOFZTHBUCHI-YNEHKIRRSA-N 2 1 238.375 1.770 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662275396 412067436 /nfs/dbraw/zinc/06/74/36/412067436.db2.gz BVYDHYLYLPSQBB-XGUBFFRZSA-N 2 1 249.402 1.012 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351602512 171161329 /nfs/dbraw/zinc/16/13/29/171161329.db2.gz ILGPIEJEGVUMCN-KWCYVHTRSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351602512 171161330 /nfs/dbraw/zinc/16/13/30/171161330.db2.gz ILGPIEJEGVUMCN-KWCYVHTRSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351602512 171161331 /nfs/dbraw/zinc/16/13/31/171161331.db2.gz ILGPIEJEGVUMCN-KWCYVHTRSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351602512 171161332 /nfs/dbraw/zinc/16/13/32/171161332.db2.gz ILGPIEJEGVUMCN-KWCYVHTRSA-N 2 1 240.391 1.562 20 0 BDADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278177 412071159 /nfs/dbraw/zinc/07/11/59/412071159.db2.gz XHODWEMRBVKLLT-ZDUSSCGKSA-N 2 1 247.342 1.034 20 0 BDADMP C[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000662284638 412074632 /nfs/dbraw/zinc/07/46/32/412074632.db2.gz ZGNFZUJELRASHO-JQWIXIFHSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000662284638 412074634 /nfs/dbraw/zinc/07/46/34/412074634.db2.gz ZGNFZUJELRASHO-JQWIXIFHSA-N 2 1 249.358 1.969 20 0 BDADMP Cc1ccc2c(c1)C[N@H+](CCOCC[NH3+])CC2 ZINC000662298271 412083461 /nfs/dbraw/zinc/08/34/61/412083461.db2.gz AYAXBLNXRIPAQL-UHFFFAOYSA-N 2 1 234.343 1.328 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC(C)(C)COC ZINC000310009524 171307116 /nfs/dbraw/zinc/30/71/16/171307116.db2.gz ICQDXOZCLASQFX-LBPRGKRZSA-N 2 1 230.396 1.979 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC(C)(C)COC ZINC000310009524 171307117 /nfs/dbraw/zinc/30/71/17/171307117.db2.gz ICQDXOZCLASQFX-LBPRGKRZSA-N 2 1 230.396 1.979 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336681279 171308503 /nfs/dbraw/zinc/30/85/03/171308503.db2.gz YBFXXNCMRKOWLV-OLZOCXBDSA-N 3 1 229.412 1.824 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336681279 171308505 /nfs/dbraw/zinc/30/85/05/171308505.db2.gz YBFXXNCMRKOWLV-OLZOCXBDSA-N 3 1 229.412 1.824 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000336732935 171308738 /nfs/dbraw/zinc/30/87/38/171308738.db2.gz JSNVWNHWHNHHKQ-AVGNSLFASA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000336732935 171308740 /nfs/dbraw/zinc/30/87/40/171308740.db2.gz JSNVWNHWHNHHKQ-AVGNSLFASA-N 2 1 227.396 1.256 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336732935 171308742 /nfs/dbraw/zinc/30/87/42/171308742.db2.gz JSNVWNHWHNHHKQ-AVGNSLFASA-N 2 1 227.396 1.256 20 0 BDADMP C[NH2+]CCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293422 412081505 /nfs/dbraw/zinc/08/15/05/412081505.db2.gz RZTRRJWAJABDDY-CQSZACIVSA-N 2 1 239.407 1.308 20 0 BDADMP C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000662300955 412086465 /nfs/dbraw/zinc/08/64/65/412086465.db2.gz NVYYFJVLHNNLAM-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP OCC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662299430 412087628 /nfs/dbraw/zinc/08/76/28/412087628.db2.gz PNVFHRKASWUYNT-ZIAGYGMSSA-N 2 1 240.391 1.613 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000662302130 412089206 /nfs/dbraw/zinc/08/92/06/412089206.db2.gz XDLLNMGCYXPBHG-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662306626 412091717 /nfs/dbraw/zinc/09/17/17/412091717.db2.gz RINLTXXYPITIAG-AWEZNQCLSA-N 2 1 240.391 1.864 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000662311474 412094524 /nfs/dbraw/zinc/09/45/24/412094524.db2.gz SMMSYMSJMQZJDH-VXGBXAGGSA-N 2 1 232.343 1.028 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000662311471 412094716 /nfs/dbraw/zinc/09/47/16/412094716.db2.gz SMMSYMSJMQZJDH-NWDGAFQWSA-N 2 1 232.343 1.028 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCCOC2)[C@H]1CC[NH2+]C1 ZINC000662315960 412095518 /nfs/dbraw/zinc/09/55/18/412095518.db2.gz RJFVQDHLFUJZJK-ZIAGYGMSSA-N 2 1 238.375 1.489 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCCOC2)[C@@H]1CC[NH2+]C1 ZINC000662315959 412095730 /nfs/dbraw/zinc/09/57/30/412095730.db2.gz RJFVQDHLFUJZJK-UONOGXRCSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000662317433 412098362 /nfs/dbraw/zinc/09/83/62/412098362.db2.gz PGLLJQFFEZQXPA-HNNXBMFYSA-N 2 1 247.386 1.807 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662317434 412098416 /nfs/dbraw/zinc/09/84/16/412098416.db2.gz PGLLJQFFEZQXPA-OAHLLOKOSA-N 2 1 247.386 1.807 20 0 BDADMP CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321094 412100546 /nfs/dbraw/zinc/10/05/46/412100546.db2.gz GTLOYVMQEUVINA-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321247 412100863 /nfs/dbraw/zinc/10/08/63/412100863.db2.gz ABDOHHFZIOJOOE-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP C[NH+](C)CCC[C@@H]1C[N@H+](C2CCCC2)CCO1 ZINC000662324677 412103454 /nfs/dbraw/zinc/10/34/54/412103454.db2.gz ALTHIXXVGOSCDV-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1ccncc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665239632 412180755 /nfs/dbraw/zinc/18/07/55/412180755.db2.gz WDSVPLIGGQBDDC-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000665272524 412213176 /nfs/dbraw/zinc/21/31/76/412213176.db2.gz GWTNOZQQUFLXRP-MJBXVCDLSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@@H]([NH2+]CCCc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000665283731 412228624 /nfs/dbraw/zinc/22/86/24/412228624.db2.gz SZBXSPSHMCZIQE-YPMHNXCESA-N 2 1 222.332 1.942 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1nccn1C ZINC000665283958 412229939 /nfs/dbraw/zinc/22/99/39/412229939.db2.gz XWLQIIXGPSOTKG-GRYCIOLGSA-N 2 1 236.363 1.459 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000665298050 412245678 /nfs/dbraw/zinc/24/56/78/412245678.db2.gz QWSIEUZRPVLNOF-WDEREUQCSA-N 2 1 237.347 1.219 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133060968 412393424 /nfs/dbraw/zinc/39/34/24/412393424.db2.gz HHOFNVDEZHJKOO-HNNXBMFYSA-N 2 1 248.370 1.610 20 0 BDADMP CCc1nocc1C[NH2+]CCn1cc[nH+]c1C ZINC000339217315 172099179 /nfs/dbraw/zinc/09/91/79/172099179.db2.gz PTPGCXHNZRZQTM-UHFFFAOYSA-N 2 1 234.303 1.532 20 0 BDADMP CCn1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000070543155 172161765 /nfs/dbraw/zinc/16/17/65/172161765.db2.gz DZZBYTKIOYTHJJ-ZDUSSCGKSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000070543155 172161766 /nfs/dbraw/zinc/16/17/66/172161766.db2.gz DZZBYTKIOYTHJJ-ZDUSSCGKSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000070074162 172164109 /nfs/dbraw/zinc/16/41/09/172164109.db2.gz ISYBCTYWKMLHBK-LBPRGKRZSA-N 2 1 236.363 1.464 20 0 BDADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCO)CC2)C1CC1 ZINC000374312854 172806876 /nfs/dbraw/zinc/80/68/76/172806876.db2.gz SLGNKQROKGNCCU-LBPRGKRZSA-N 2 1 238.375 1.175 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000335310119 173008174 /nfs/dbraw/zinc/00/81/74/173008174.db2.gz DXRDAUSNKVIDHJ-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000335310119 173008177 /nfs/dbraw/zinc/00/81/77/173008177.db2.gz DXRDAUSNKVIDHJ-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000335310119 173008179 /nfs/dbraw/zinc/00/81/79/173008179.db2.gz DXRDAUSNKVIDHJ-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCOC(C)(C)C1 ZINC000372424974 173026723 /nfs/dbraw/zinc/02/67/23/173026723.db2.gz IYQMSQOPQSNNLB-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCOC(C)(C)C1 ZINC000372424974 173026726 /nfs/dbraw/zinc/02/67/26/173026726.db2.gz IYQMSQOPQSNNLB-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCOC(C)(C)C1 ZINC000372424974 173026728 /nfs/dbraw/zinc/02/67/28/173026728.db2.gz IYQMSQOPQSNNLB-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)C1CCCC1 ZINC000352708738 173029186 /nfs/dbraw/zinc/02/91/86/173029186.db2.gz XMQJFLYWTSQJGR-ZIAGYGMSSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]21 ZINC000158694329 173035350 /nfs/dbraw/zinc/03/53/50/173035350.db2.gz RZYJDMAUVZYGET-CABCVRRESA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]21 ZINC000158694329 173035353 /nfs/dbraw/zinc/03/53/53/173035353.db2.gz RZYJDMAUVZYGET-CABCVRRESA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]21 ZINC000158694329 173035357 /nfs/dbraw/zinc/03/53/57/173035357.db2.gz RZYJDMAUVZYGET-CABCVRRESA-N 2 1 245.370 1.998 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]21 ZINC000158694329 173035358 /nfs/dbraw/zinc/03/53/58/173035358.db2.gz RZYJDMAUVZYGET-CABCVRRESA-N 2 1 245.370 1.998 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3ccnc3)CC[C@H]21 ZINC000245625640 173037214 /nfs/dbraw/zinc/03/72/14/173037214.db2.gz OVOMDPKRDOYILN-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3ccnc3)CC[C@H]21 ZINC000245625640 173037215 /nfs/dbraw/zinc/03/72/15/173037215.db2.gz OVOMDPKRDOYILN-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3ccnc3)CC[C@H]21 ZINC000245625640 173037217 /nfs/dbraw/zinc/03/72/17/173037217.db2.gz OVOMDPKRDOYILN-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3ccnc3)CC[C@H]21 ZINC000245625640 173037220 /nfs/dbraw/zinc/03/72/20/173037220.db2.gz OVOMDPKRDOYILN-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@@H+](Cc1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000130770271 173040991 /nfs/dbraw/zinc/04/09/91/173040991.db2.gz VICMOFFCWIPQJF-AWEZNQCLSA-N 2 1 233.359 1.855 20 0 BDADMP C[N@H+](Cc1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000130770271 173040994 /nfs/dbraw/zinc/04/09/94/173040994.db2.gz VICMOFFCWIPQJF-AWEZNQCLSA-N 2 1 233.359 1.855 20 0 BDADMP C[NH+](Cc1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC000130770271 173040996 /nfs/dbraw/zinc/04/09/96/173040996.db2.gz VICMOFFCWIPQJF-AWEZNQCLSA-N 2 1 233.359 1.855 20 0 BDADMP C[NH+](Cc1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000130770271 173040999 /nfs/dbraw/zinc/04/09/99/173040999.db2.gz VICMOFFCWIPQJF-AWEZNQCLSA-N 2 1 233.359 1.855 20 0 BDADMP C[N@@H+](CCc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000355732450 173042177 /nfs/dbraw/zinc/04/21/77/173042177.db2.gz JWMKAYVASKXIAG-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1cccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000355732450 173042180 /nfs/dbraw/zinc/04/21/80/173042180.db2.gz JWMKAYVASKXIAG-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000355732450 173042182 /nfs/dbraw/zinc/04/21/82/173042182.db2.gz JWMKAYVASKXIAG-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP CN1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC000055144693 173045047 /nfs/dbraw/zinc/04/50/47/173045047.db2.gz YZIHUXUCZQFDPA-BPCQOVAHSA-N 2 1 225.380 1.282 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](n2cccn2)C1 ZINC000361590993 173052401 /nfs/dbraw/zinc/05/24/01/173052401.db2.gz WZFICYAFDFFQHX-KBPBESRZSA-N 2 1 248.374 1.614 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361590993 173052404 /nfs/dbraw/zinc/05/24/04/173052404.db2.gz WZFICYAFDFFQHX-KBPBESRZSA-N 2 1 248.374 1.614 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361590993 173052407 /nfs/dbraw/zinc/05/24/07/173052407.db2.gz WZFICYAFDFFQHX-KBPBESRZSA-N 2 1 248.374 1.614 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H]2OCC[C@H]2C1 ZINC000366741721 173053186 /nfs/dbraw/zinc/05/31/86/173053186.db2.gz BVPULASDQNMABF-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366741721 173053188 /nfs/dbraw/zinc/05/31/88/173053188.db2.gz BVPULASDQNMABF-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366741721 173053189 /nfs/dbraw/zinc/05/31/89/173053189.db2.gz BVPULASDQNMABF-MELADBBJSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000352708733 173054768 /nfs/dbraw/zinc/05/47/68/173054768.db2.gz XMQJFLYWTSQJGR-KBPBESRZSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3ccnc3)CC[C@H]21 ZINC000245625636 173059761 /nfs/dbraw/zinc/05/97/61/173059761.db2.gz OVOMDPKRDOYILN-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CCn3ccnc3)CC[C@H]21 ZINC000245625636 173059763 /nfs/dbraw/zinc/05/97/63/173059763.db2.gz OVOMDPKRDOYILN-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CCn3ccnc3)CC[C@H]21 ZINC000245625636 173059765 /nfs/dbraw/zinc/05/97/65/173059765.db2.gz OVOMDPKRDOYILN-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3ccnc3)CC[C@H]21 ZINC000245625636 173059767 /nfs/dbraw/zinc/05/97/67/173059767.db2.gz OVOMDPKRDOYILN-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP CN1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000104144253 173082127 /nfs/dbraw/zinc/08/21/27/173082127.db2.gz JZGBPOKQOGADIB-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000037646637 173116186 /nfs/dbraw/zinc/11/61/86/173116186.db2.gz FXWHALFHOBFVHJ-LBPRGKRZSA-N 2 1 230.355 1.695 20 0 BDADMP C[N@@H+]1CC[C@@H](NCC[NH+]2CCCCCC2)C1 ZINC000061989500 173123530 /nfs/dbraw/zinc/12/35/30/173123530.db2.gz KXARMJWBYYOVPZ-CYBMUJFWSA-N 2 1 225.380 1.156 20 0 BDADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCCCC2)C1 ZINC000061989500 173123531 /nfs/dbraw/zinc/12/35/31/173123531.db2.gz KXARMJWBYYOVPZ-CYBMUJFWSA-N 2 1 225.380 1.156 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCF)[C@@H]2CCC[C@@H]21 ZINC000308909992 173153299 /nfs/dbraw/zinc/15/32/99/173153299.db2.gz DMGXKJKLFMDVGG-SRVKXCTJSA-N 2 1 214.328 1.808 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@H]2CCC[C@@H]21 ZINC000368617009 173153381 /nfs/dbraw/zinc/15/33/81/173153381.db2.gz VUAVEKQNAIITDW-AGIUHOORSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@@H]2CCC[C@@H]21 ZINC000367884932 173155154 /nfs/dbraw/zinc/15/51/54/173155154.db2.gz IXZCQJASWFEMET-XUXIUFHCSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000335642486 173165033 /nfs/dbraw/zinc/16/50/33/173165033.db2.gz WPFXPKNXOYXHBS-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000335642486 173165036 /nfs/dbraw/zinc/16/50/36/173165036.db2.gz WPFXPKNXOYXHBS-YPMHNXCESA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3Cc4ccccc43)C[C@@H]2C1 ZINC000376503381 173197350 /nfs/dbraw/zinc/19/73/50/173197350.db2.gz AFBOTHSWZGJCCO-SOUVJXGZSA-N 2 1 242.366 1.820 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3Cc4ccccc43)C[C@@H]2C1 ZINC000376503381 173197351 /nfs/dbraw/zinc/19/73/51/173197351.db2.gz AFBOTHSWZGJCCO-SOUVJXGZSA-N 2 1 242.366 1.820 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3Cc4ccccc43)C[C@@H]2C1 ZINC000376503381 173197354 /nfs/dbraw/zinc/19/73/54/173197354.db2.gz AFBOTHSWZGJCCO-SOUVJXGZSA-N 2 1 242.366 1.820 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000093651341 173368248 /nfs/dbraw/zinc/36/82/48/173368248.db2.gz NONZLYSFOKYFJI-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000093651341 173368249 /nfs/dbraw/zinc/36/82/49/173368249.db2.gz NONZLYSFOKYFJI-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)CCOC)C1 ZINC000045044518 173378424 /nfs/dbraw/zinc/37/84/24/173378424.db2.gz VCAIRZKDYJJCIL-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000019933355 173379919 /nfs/dbraw/zinc/37/99/19/173379919.db2.gz IRGGPLMTTHLKEK-CQSZACIVSA-N 2 1 218.344 1.913 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000019933355 173379920 /nfs/dbraw/zinc/37/99/20/173379920.db2.gz IRGGPLMTTHLKEK-CQSZACIVSA-N 2 1 218.344 1.913 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000053031391 173381522 /nfs/dbraw/zinc/38/15/22/173381522.db2.gz XFYCRZGEJMAWSQ-CYBMUJFWSA-N 2 1 219.332 1.165 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224611833 173381778 /nfs/dbraw/zinc/38/17/78/173381778.db2.gz JBOATPLUCWCLGO-MNOVXSKESA-N 2 1 214.378 1.281 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000091996108 173382168 /nfs/dbraw/zinc/38/21/68/173382168.db2.gz IDDNRCBVDNWPGC-LLVKDONJSA-N 2 1 235.331 1.137 20 0 BDADMP C[NH2+]Cc1cccc(NC(=O)C[N@@H+](C)C(C)C)c1 ZINC000237106597 173389744 /nfs/dbraw/zinc/38/97/44/173389744.db2.gz VPUDAOYGGNNRCZ-UHFFFAOYSA-N 2 1 249.358 1.685 20 0 BDADMP COC1(C[NH2+]CCn2cc[nH+]c2C)CCCC1 ZINC000336656036 174002580 /nfs/dbraw/zinc/00/25/80/174002580.db2.gz LBUSSYMHXZNFOP-UHFFFAOYSA-N 2 1 237.347 1.740 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000300215272 174018747 /nfs/dbraw/zinc/01/87/47/174018747.db2.gz VRKSCPQFPRWGPP-QYNFOATHSA-N 2 1 212.337 1.236 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000300215272 174018750 /nfs/dbraw/zinc/01/87/50/174018750.db2.gz VRKSCPQFPRWGPP-QYNFOATHSA-N 2 1 212.337 1.236 20 0 BDADMP COCC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000336686249 174071320 /nfs/dbraw/zinc/07/13/20/174071320.db2.gz KYIBEBHSRCTYIM-UHFFFAOYSA-N 2 1 214.353 1.343 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000336719735 174074711 /nfs/dbraw/zinc/07/47/11/174074711.db2.gz RTSBSDZZCCGTIG-FRRDWIJNSA-N 2 1 242.407 1.977 20 0 BDADMP COCCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000122699860 174184091 /nfs/dbraw/zinc/18/40/91/174184091.db2.gz FKIYHWQJFINXCH-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP COCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000368617255 174190262 /nfs/dbraw/zinc/19/02/62/174190262.db2.gz YYNUFOSOTMOVGH-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP COCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368617255 174190263 /nfs/dbraw/zinc/19/02/63/174190263.db2.gz YYNUFOSOTMOVGH-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP COCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368318366 174193855 /nfs/dbraw/zinc/19/38/55/174193855.db2.gz RMERTSDLHACKRZ-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP COCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368318366 174193856 /nfs/dbraw/zinc/19/38/56/174193856.db2.gz RMERTSDLHACKRZ-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP COCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368318366 174193859 /nfs/dbraw/zinc/19/38/59/174193859.db2.gz RMERTSDLHACKRZ-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645401 174231381 /nfs/dbraw/zinc/23/13/81/174231381.db2.gz PDWIDPNMDMEYEO-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP COCCC[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000361109564 174232760 /nfs/dbraw/zinc/23/27/60/174232760.db2.gz TZBJWMQAPYHAAA-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000361109564 174232761 /nfs/dbraw/zinc/23/27/61/174232761.db2.gz TZBJWMQAPYHAAA-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000361109564 174232763 /nfs/dbraw/zinc/23/27/63/174232763.db2.gz TZBJWMQAPYHAAA-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000361109564 174232764 /nfs/dbraw/zinc/23/27/64/174232764.db2.gz TZBJWMQAPYHAAA-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000361109564 174232766 /nfs/dbraw/zinc/23/27/66/174232766.db2.gz TZBJWMQAPYHAAA-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCC[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000042519626 174289236 /nfs/dbraw/zinc/28/92/36/174289236.db2.gz RIFWMVALRPFTTN-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC2(C)C)CC1 ZINC000358144697 174304824 /nfs/dbraw/zinc/30/48/24/174304824.db2.gz XKUVEMPKLGUDDN-LBPRGKRZSA-N 2 1 240.391 1.733 20 0 BDADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247959 175074739 /nfs/dbraw/zinc/07/47/39/175074739.db2.gz HOVLOORNIWJZGY-LBPRGKRZSA-N 2 1 234.343 1.784 20 0 BDADMP COc1ccc(CC[C@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712865 175093798 /nfs/dbraw/zinc/09/37/98/175093798.db2.gz VZPCFDINLZHHLO-NSHDSACASA-N 2 1 222.332 1.565 20 0 BDADMP COc1cccc(F)c1[C@@H](C)[NH2+]CCC[NH3+] ZINC000126871725 175274298 /nfs/dbraw/zinc/27/42/98/175274298.db2.gz CPSLQAFSIBPLFX-SECBINFHSA-N 2 1 226.295 1.834 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000094087446 175333908 /nfs/dbraw/zinc/33/39/08/175333908.db2.gz WOPNCVYECZVOPC-AAEUAGOBSA-N 2 1 234.343 1.578 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358174745 176078050 /nfs/dbraw/zinc/07/80/50/176078050.db2.gz ZBIRGBUPBVPWDR-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358174745 176078052 /nfs/dbraw/zinc/07/80/52/176078052.db2.gz ZBIRGBUPBVPWDR-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1CN ZINC000359209689 176098190 /nfs/dbraw/zinc/09/81/90/176098190.db2.gz DFIYGYWQIBNRAC-TZMCWYRMSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCCN(CCC2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000359209689 176098192 /nfs/dbraw/zinc/09/81/92/176098192.db2.gz DFIYGYWQIBNRAC-TZMCWYRMSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358174165 176118951 /nfs/dbraw/zinc/11/89/51/176118951.db2.gz XNPZUJGOTBEZKV-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358174165 176118953 /nfs/dbraw/zinc/11/89/53/176118953.db2.gz XNPZUJGOTBEZKV-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1O ZINC000305759220 176169880 /nfs/dbraw/zinc/16/98/80/176169880.db2.gz HXJOSSJQEBXCHT-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC000305759220 176169882 /nfs/dbraw/zinc/16/98/82/176169882.db2.gz HXJOSSJQEBXCHT-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC000305759220 176169884 /nfs/dbraw/zinc/16/98/84/176169884.db2.gz HXJOSSJQEBXCHT-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000224623496 176172421 /nfs/dbraw/zinc/17/24/21/176172421.db2.gz PDHGBUKNOZAVBG-WOPDTQHZSA-N 2 1 228.405 1.656 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000333348170 176185259 /nfs/dbraw/zinc/18/52/59/176185259.db2.gz ZSTGRBNPLJMOMB-LPWJVIDDSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000336678283 176269317 /nfs/dbraw/zinc/26/93/17/176269317.db2.gz BPKKZIWCBDMJJN-VOAKCMCISA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000361969904 176269613 /nfs/dbraw/zinc/26/96/13/176269613.db2.gz DNCXQFAJILYODV-RTXFEEFZSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000361969904 176269615 /nfs/dbraw/zinc/26/96/15/176269615.db2.gz DNCXQFAJILYODV-RTXFEEFZSA-N 2 1 248.374 1.197 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1F ZINC000340521005 176269952 /nfs/dbraw/zinc/26/99/52/176269952.db2.gz ARVHBDMTCHVDJX-WISYIIOYSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1F ZINC000340521005 176269953 /nfs/dbraw/zinc/26/99/53/176269953.db2.gz ARVHBDMTCHVDJX-WISYIIOYSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000358412119 176274079 /nfs/dbraw/zinc/27/40/79/176274079.db2.gz XZKSRGJISUASFM-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358412119 176274080 /nfs/dbraw/zinc/27/40/80/176274080.db2.gz XZKSRGJISUASFM-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358412119 176274082 /nfs/dbraw/zinc/27/40/82/176274082.db2.gz XZKSRGJISUASFM-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358412119 176274084 /nfs/dbraw/zinc/27/40/84/176274084.db2.gz XZKSRGJISUASFM-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358412119 176274086 /nfs/dbraw/zinc/27/40/86/176274086.db2.gz XZKSRGJISUASFM-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000336701915 176279255 /nfs/dbraw/zinc/27/92/55/176279255.db2.gz JZKNVSOCQZQXLF-RFHZTLPTSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000351796630 176292893 /nfs/dbraw/zinc/29/28/93/176292893.db2.gz XTCZTOKQNDFKMQ-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000351796630 176292895 /nfs/dbraw/zinc/29/28/95/176292895.db2.gz XTCZTOKQNDFKMQ-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000351796630 176292896 /nfs/dbraw/zinc/29/28/96/176292896.db2.gz XTCZTOKQNDFKMQ-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CC[C@H]1[NH3+] ZINC000336537848 176306503 /nfs/dbraw/zinc/30/65/03/176306503.db2.gz QBRLYTHPSHBMBV-ZWNOBZJWSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccncc1 ZINC000126713966 176367519 /nfs/dbraw/zinc/36/75/19/176367519.db2.gz AWEFBCCWZRHCNQ-PWSUYJOCSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCOC2)CCN1C ZINC000336712931 176372094 /nfs/dbraw/zinc/37/20/94/176372094.db2.gz RZXTUEWKHMFVSG-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCOC2)CC[N@@H+]1C ZINC000336712931 176372096 /nfs/dbraw/zinc/37/20/96/176372096.db2.gz RZXTUEWKHMFVSG-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCOC2)CC[N@H+]1C ZINC000336712931 176372097 /nfs/dbraw/zinc/37/20/97/176372097.db2.gz RZXTUEWKHMFVSG-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCOC2)CC[NH+]1C ZINC000336712931 176372099 /nfs/dbraw/zinc/37/20/99/176372099.db2.gz RZXTUEWKHMFVSG-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCOC2)CC[NH+]1C ZINC000336712931 176372101 /nfs/dbraw/zinc/37/21/01/176372101.db2.gz RZXTUEWKHMFVSG-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccnn1C ZINC000192246484 176844822 /nfs/dbraw/zinc/84/48/22/176844822.db2.gz DUKMADFJASCCRN-LBPRGKRZSA-N 2 1 236.363 1.557 20 0 BDADMP C[C@H](O)[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336679940 177014963 /nfs/dbraw/zinc/01/49/63/177014963.db2.gz CHYPEJYCABLDJB-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336679940 177014965 /nfs/dbraw/zinc/01/49/65/177014965.db2.gz CHYPEJYCABLDJB-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336679940 177014966 /nfs/dbraw/zinc/01/49/66/177014966.db2.gz CHYPEJYCABLDJB-BFHYXJOUSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000050564927 177098318 /nfs/dbraw/zinc/09/83/18/177098318.db2.gz WYTNEESEYFHTRX-QWHCGFSZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H]1CCC[C@@H](CO)[N@H+]1CCn1ccnc1 ZINC000272689932 177119988 /nfs/dbraw/zinc/11/99/88/177119988.db2.gz UGEUTAFZYCUYIH-RYUDHWBXSA-N 2 1 223.320 1.118 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC(F)F ZINC000309816609 177233862 /nfs/dbraw/zinc/23/38/62/177233862.db2.gz VJORELOFYKOHML-VHSXEESVSA-N 2 1 236.306 1.198 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H](C)S1 ZINC000069910166 177245792 /nfs/dbraw/zinc/24/57/92/177245792.db2.gz UYUGFXPMIAYOKD-DTORHVGOSA-N 2 1 202.367 1.550 20 0 BDADMP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H](C)S1 ZINC000069910166 177245793 /nfs/dbraw/zinc/24/57/93/177245793.db2.gz UYUGFXPMIAYOKD-DTORHVGOSA-N 2 1 202.367 1.550 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CCO1 ZINC000020072103 177247625 /nfs/dbraw/zinc/24/76/25/177247625.db2.gz LIKYVPSLDLFRKA-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP C[C@H]1C[N@@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000226422265 177253167 /nfs/dbraw/zinc/25/31/67/177253167.db2.gz RWINLFFEMSWNCZ-JQWIXIFHSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c[nH]nc32)CC[C@H]1[NH3+] ZINC000336537842 177265449 /nfs/dbraw/zinc/26/54/49/177265449.db2.gz QBRLYTHPSHBMBV-GXFFZTMASA-N 2 1 244.342 1.732 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000227638163 177302377 /nfs/dbraw/zinc/30/23/77/177302377.db2.gz FBMCHMWCWZBNHS-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055661 177325165 /nfs/dbraw/zinc/32/51/65/177325165.db2.gz JMGJTQBPYGUTDS-ZDEQEGDKSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1cccn1 ZINC000042539473 177332087 /nfs/dbraw/zinc/33/20/87/177332087.db2.gz VCHCBWVGOFMDHZ-FRRDWIJNSA-N 2 1 236.363 1.201 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1NCC2 ZINC000336225313 177361213 /nfs/dbraw/zinc/36/12/13/177361213.db2.gz ICOAEKLRCQPGON-NWDGAFQWSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055659 177362829 /nfs/dbraw/zinc/36/28/29/177362829.db2.gz JMGJTQBPYGUTDS-QNWHQSFQSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000313339234 487640607 /nfs/dbraw/zinc/64/06/07/487640607.db2.gz BWIOLBFBDXUMMN-VXGBXAGGSA-N 2 1 228.380 1.718 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000400341539 225016351 /nfs/dbraw/zinc/01/63/51/225016351.db2.gz HLOIFJBDCWGSRZ-WHOHXGKFSA-N 2 1 226.364 1.530 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000400341541 225016781 /nfs/dbraw/zinc/01/67/81/225016781.db2.gz HLOIFJBDCWGSRZ-WISYIIOYSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400360916 225096845 /nfs/dbraw/zinc/09/68/45/225096845.db2.gz BWYITTKGILZKKP-OBJOEFQTSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cncc(F)c1 ZINC000401662364 225212087 /nfs/dbraw/zinc/21/20/87/225212087.db2.gz YMUDGWWNOPXYKG-JTQLQIEISA-N 2 1 248.305 1.848 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000486932689 225273514 /nfs/dbraw/zinc/27/35/14/225273514.db2.gz HHKXHKQTALDFGJ-STQMWFEESA-N 2 1 242.407 1.979 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400328857 226340831 /nfs/dbraw/zinc/34/08/31/226340831.db2.gz BFBZNVQDVJFTDB-TUAOUCFPSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400630245 226347980 /nfs/dbraw/zinc/34/79/80/226347980.db2.gz LPJGQHVBZBFONR-GRYCIOLGSA-N 2 1 222.336 1.002 20 0 BDADMP C[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400724550 226350401 /nfs/dbraw/zinc/35/04/01/226350401.db2.gz PCWOHMGUYAPRSN-QWRGUYRKSA-N 2 1 241.379 1.021 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000397312737 262748511 /nfs/dbraw/zinc/74/85/11/262748511.db2.gz PKKOKHACEFXEJF-RFGFWPKPSA-N 2 1 240.391 1.718 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000383805624 487674688 /nfs/dbraw/zinc/67/46/88/487674688.db2.gz UJKFXEMXYMNACD-RDBSUJKOSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000383805624 487674693 /nfs/dbraw/zinc/67/46/93/487674693.db2.gz UJKFXEMXYMNACD-RDBSUJKOSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000383805624 487674698 /nfs/dbraw/zinc/67/46/98/487674698.db2.gz UJKFXEMXYMNACD-RDBSUJKOSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000383805615 487674864 /nfs/dbraw/zinc/67/48/64/487674864.db2.gz UJKFXEMXYMNACD-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000383805615 487674871 /nfs/dbraw/zinc/67/48/71/487674871.db2.gz UJKFXEMXYMNACD-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000383805615 487674876 /nfs/dbraw/zinc/67/48/76/487674876.db2.gz UJKFXEMXYMNACD-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1CCC1 ZINC000383844329 487677778 /nfs/dbraw/zinc/67/77/78/487677778.db2.gz ZWGXPSNATFBSNC-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1CCC1 ZINC000383844329 487677781 /nfs/dbraw/zinc/67/77/81/487677781.db2.gz ZWGXPSNATFBSNC-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1CCC1 ZINC000383844329 487677787 /nfs/dbraw/zinc/67/77/87/487677787.db2.gz ZWGXPSNATFBSNC-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000393760408 487688798 /nfs/dbraw/zinc/68/87/98/487688798.db2.gz KVXFDTACKKDBGB-NEPJUHHUSA-N 2 1 222.336 1.011 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000396601200 262806570 /nfs/dbraw/zinc/80/65/70/262806570.db2.gz NIASZBCYGJDHRV-QJPTWQEYSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]([NH2+]CCC1(O)CCC1)[C@H]1CCCC[NH2+]1 ZINC000397724087 262931106 /nfs/dbraw/zinc/93/11/06/262931106.db2.gz XXOSNBVGRPHJDE-NWDGAFQWSA-N 2 1 226.364 1.412 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](C)C[NH3+])C1 ZINC001172604056 974881668 /nfs/dbraw/zinc/88/16/68/974881668.db2.gz RLANPTHOCBWHRP-QJPTWQEYSA-N 2 1 242.363 1.245 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000309807855 487725091 /nfs/dbraw/zinc/72/50/91/487725091.db2.gz LUJKCQVXUFTMHW-OAHLLOKOSA-N 2 1 248.370 1.745 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250531322 487734139 /nfs/dbraw/zinc/73/41/39/487734139.db2.gz RWQOCXZRDPEDMP-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250587845 487735597 /nfs/dbraw/zinc/73/55/97/487735597.db2.gz PBVWASQNAFCTCM-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCOC)CC[C@H]1[NH3+] ZINC000251522765 487752368 /nfs/dbraw/zinc/75/23/68/487752368.db2.gz AAOVAPLQARYOGN-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCOC1 ZINC000111319851 487772926 /nfs/dbraw/zinc/77/29/26/487772926.db2.gz IIOYRCDCRSGWFR-LBPRGKRZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccncc1 ZINC000675926550 487792104 /nfs/dbraw/zinc/79/21/04/487792104.db2.gz CKAWNAAAVHLMOJ-LBPRGKRZSA-N 2 1 233.359 1.869 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2C)CC[C@H]1[NH3+] ZINC000251841369 487801746 /nfs/dbraw/zinc/80/17/46/487801746.db2.gz QVOYVRBBWXJJBX-WCQYABFASA-N 2 1 236.363 1.288 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2C)CC[C@H]1[NH3+] ZINC000251841369 487801750 /nfs/dbraw/zinc/80/17/50/487801750.db2.gz QVOYVRBBWXJJBX-WCQYABFASA-N 2 1 236.363 1.288 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251858541 487803069 /nfs/dbraw/zinc/80/30/69/487803069.db2.gz SFBFZVGBKOIOMW-WZRBSPASSA-N 2 1 219.332 1.812 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000414735616 487820436 /nfs/dbraw/zinc/82/04/36/487820436.db2.gz FWHVYGMQDGDRSA-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP CCC(CC)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252684547 487829645 /nfs/dbraw/zinc/82/96/45/487829645.db2.gz GNXKKLAWUVXWDC-CMPLNLGQSA-N 2 1 214.353 1.471 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252776617 487832231 /nfs/dbraw/zinc/83/22/31/487832231.db2.gz OIHZNXRVTPBZEE-PWSUYJOCSA-N 2 1 236.363 1.294 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252776617 487832238 /nfs/dbraw/zinc/83/22/38/487832238.db2.gz OIHZNXRVTPBZEE-PWSUYJOCSA-N 2 1 236.363 1.294 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252783004 487833618 /nfs/dbraw/zinc/83/36/18/487833618.db2.gz SKNMXKYBBQULEA-LOWVWBTDSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252788187 487833784 /nfs/dbraw/zinc/83/37/84/487833784.db2.gz QWRSHKNHSUROPM-AXFHLTTASA-N 2 1 220.320 1.207 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252788187 487833789 /nfs/dbraw/zinc/83/37/89/487833789.db2.gz QWRSHKNHSUROPM-AXFHLTTASA-N 2 1 220.320 1.207 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666623359 487847848 /nfs/dbraw/zinc/84/78/48/487847848.db2.gz OYTCHZAQXWIYOJ-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+](CC[NH2+]C(C)(C)C)C[C@@H]1CCOC1 ZINC000666623371 487847744 /nfs/dbraw/zinc/84/77/44/487847744.db2.gz VMWFTYCWROLQPZ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@@H+](CC[NH2+]C(C)(C)C)C[C@@H]1CCOC1 ZINC000666623371 487847750 /nfs/dbraw/zinc/84/77/50/487847750.db2.gz VMWFTYCWROLQPZ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CCO)C1 ZINC000666638410 487849270 /nfs/dbraw/zinc/84/92/70/487849270.db2.gz LXZPYHRXDVZWRN-OLZOCXBDSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](CCO)CC(C)(C)C)CC[NH2+]1 ZINC000666639246 487850021 /nfs/dbraw/zinc/85/00/21/487850021.db2.gz PNDQFFNPYSWVBI-QWHCGFSZSA-N 2 1 242.407 1.715 20 0 BDADMP CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129059747 487875509 /nfs/dbraw/zinc/87/55/09/487875509.db2.gz MLGUESVIURUJTG-GHMZBOCLSA-N 2 1 216.394 1.812 20 0 BDADMP COC1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770371 487876734 /nfs/dbraw/zinc/87/67/34/487876734.db2.gz WSHYDPLSUUXKCT-CPCZMJQVSA-N 2 1 226.364 1.676 20 0 BDADMP CCCC[C@H](COC)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770461 487876761 /nfs/dbraw/zinc/87/67/61/487876761.db2.gz BZRPFFVTCGMQGH-CHWSQXEVSA-N 2 1 228.380 1.923 20 0 BDADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770463 487877093 /nfs/dbraw/zinc/87/70/93/487877093.db2.gz BZRPFFVTCGMQGH-QWHCGFSZSA-N 2 1 228.380 1.923 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770742 487877161 /nfs/dbraw/zinc/87/71/61/487877161.db2.gz ULPUJRUSEKCAEP-CHWSQXEVSA-N 2 1 228.380 1.779 20 0 BDADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770743 487877169 /nfs/dbraw/zinc/87/71/69/487877169.db2.gz ULPUJRUSEKCAEP-OLZOCXBDSA-N 2 1 228.380 1.779 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000233518852 642673531 /nfs/dbraw/zinc/67/35/31/642673531.db2.gz XCISFHWJHCIZCK-QWRGUYRKSA-N 2 1 214.353 1.389 20 0 BDADMP CCOCC[N@@H+](CC)CCC[NH2+]C1CC1 ZINC000082537053 643511774 /nfs/dbraw/zinc/51/17/74/643511774.db2.gz JBZLRAUEOXSNFJ-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP C[C@H](C[N@@H+]1CCN(C)C[C@H]1CN)C(C)(C)C ZINC000304319427 487886262 /nfs/dbraw/zinc/88/62/62/487886262.db2.gz RUIWZQFQILSUFU-VXGBXAGGSA-N 2 1 227.396 1.243 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](C)C1 ZINC000248002935 487894207 /nfs/dbraw/zinc/89/42/07/487894207.db2.gz KNJSFKDHHQYPPF-MRTXSQPYSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)C[C@H](N)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955345 487916696 /nfs/dbraw/zinc/91/66/96/487916696.db2.gz ATPBXLZAWSASMQ-NWDGAFQWSA-N 2 1 225.380 1.092 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666998206 487924667 /nfs/dbraw/zinc/92/46/67/487924667.db2.gz IEWQNWYPOLPBCO-ZDUSSCGKSA-N 2 1 248.374 1.667 20 0 BDADMP CCn1nccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996803 487925029 /nfs/dbraw/zinc/92/50/29/487925029.db2.gz GHQFVSGLXJXGBA-LBPRGKRZSA-N 2 1 248.374 1.667 20 0 BDADMP CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000404662942 487930330 /nfs/dbraw/zinc/93/03/30/487930330.db2.gz XHHAILUZVBISLW-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000235204521 487932958 /nfs/dbraw/zinc/93/29/58/487932958.db2.gz RYOOYHLGWXRBMR-DGCLKSJQSA-N 2 1 226.364 1.533 20 0 BDADMP FC1(F)C[C@]12CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000652364400 487934060 /nfs/dbraw/zinc/93/40/60/487934060.db2.gz MUIURQIFUCKPNC-MNOVXSKESA-N 2 1 230.302 1.717 20 0 BDADMP Cc1nccc(N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000672324892 487935172 /nfs/dbraw/zinc/93/51/72/487935172.db2.gz QYPWYDSTEAWSHV-JTQLQIEISA-N 2 1 229.287 1.408 20 0 BDADMP CCNCC[NH2+][C@H](C)CCc1ccco1 ZINC000567638459 323034268 /nfs/dbraw/zinc/03/42/68/323034268.db2.gz BCDZDTQYOWGGNS-LLVKDONJSA-N 2 1 210.321 1.800 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccco1 ZINC000567638459 323034269 /nfs/dbraw/zinc/03/42/69/323034269.db2.gz BCDZDTQYOWGGNS-LLVKDONJSA-N 2 1 210.321 1.800 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCc1ccccc1 ZINC000569855153 323042866 /nfs/dbraw/zinc/04/28/66/323042866.db2.gz PBCZYIOFCCGXEL-AWEZNQCLSA-N 2 1 236.359 1.131 20 0 BDADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H](C)O ZINC000562988588 323078358 /nfs/dbraw/zinc/07/83/58/323078358.db2.gz QCEHVTAPQZXZON-MCIONIFRSA-N 2 1 242.407 1.857 20 0 BDADMP COc1cc(C)nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000563135477 323094603 /nfs/dbraw/zinc/09/46/03/323094603.db2.gz NLLSLCAPVVZKKW-VHSXEESVSA-N 2 1 237.347 1.614 20 0 BDADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000531727701 323111510 /nfs/dbraw/zinc/11/15/10/323111510.db2.gz GQAISRONKMGPFK-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000531727701 323111511 /nfs/dbraw/zinc/11/15/11/323111511.db2.gz GQAISRONKMGPFK-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000531727701 323111512 /nfs/dbraw/zinc/11/15/12/323111512.db2.gz GQAISRONKMGPFK-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cncnc1C ZINC000563417396 323123646 /nfs/dbraw/zinc/12/36/46/323123646.db2.gz MASGBHQFDIROHN-JTQLQIEISA-N 2 1 245.330 1.641 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000563446103 323126196 /nfs/dbraw/zinc/12/61/96/323126196.db2.gz VKCRTIQBAVVYIQ-AEGPPILISA-N 2 1 248.370 1.614 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310343274 323130997 /nfs/dbraw/zinc/13/09/97/323130997.db2.gz FIEHVNFBLBETCX-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310343274 323130998 /nfs/dbraw/zinc/13/09/98/323130998.db2.gz FIEHVNFBLBETCX-YRGRVCCFSA-N 2 1 240.391 1.467 20 0 BDADMP COc1cc[nH+]c(NCc2c[nH+]c(C)n2C)c1 ZINC000571657687 323151546 /nfs/dbraw/zinc/15/15/46/323151546.db2.gz PNTDKOMHZDNJJF-UHFFFAOYSA-N 2 1 232.287 1.744 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000531970661 323160341 /nfs/dbraw/zinc/16/03/41/323160341.db2.gz DHGODUIXVCCZHH-IUODEOHRSA-N 2 1 247.386 1.862 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000129863339 323161628 /nfs/dbraw/zinc/16/16/28/323161628.db2.gz JJFPLVYKCOTALF-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000305255368 323168846 /nfs/dbraw/zinc/16/88/46/323168846.db2.gz BKWXRCHQOMCTIU-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000395158492 323189477 /nfs/dbraw/zinc/18/94/77/323189477.db2.gz MRQMNAQRAACVMK-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000532208075 323209797 /nfs/dbraw/zinc/20/97/97/323209797.db2.gz HXUSPCWQAHRVJE-IUODEOHRSA-N 2 1 248.370 1.609 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000530218971 323217953 /nfs/dbraw/zinc/21/79/53/323217953.db2.gz IHPHXLORXFYZHQ-YPMHNXCESA-N 2 1 249.358 1.220 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530221239 323218300 /nfs/dbraw/zinc/21/83/00/323218300.db2.gz PBJJWWVMUUZXHS-OLZOCXBDSA-N 2 1 240.391 1.922 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000530223593 323218560 /nfs/dbraw/zinc/21/85/60/323218560.db2.gz TVITYAHYQNZYOK-VXGBXAGGSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000395211267 323221682 /nfs/dbraw/zinc/22/16/82/323221682.db2.gz QBZWGUNXJPOIQD-CHWSQXEVSA-N 2 1 240.391 1.802 20 0 BDADMP CN(C)c1cc(NC(=O)[C@]2(C)CCC[NH2+]2)cc[nH+]1 ZINC000572246969 323572293 /nfs/dbraw/zinc/57/22/93/323572293.db2.gz OYSZGWNXBDVLMT-ZDUSSCGKSA-N 2 1 248.330 1.228 20 0 BDADMP [NH3+]Cc1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000520810242 324110176 /nfs/dbraw/zinc/11/01/76/324110176.db2.gz JYLKATOAVQNECG-SNVBAGLBSA-N 2 1 236.319 1.608 20 0 BDADMP [NH3+]Cc1noc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000520810242 324110180 /nfs/dbraw/zinc/11/01/80/324110180.db2.gz JYLKATOAVQNECG-SNVBAGLBSA-N 2 1 236.319 1.608 20 0 BDADMP COCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860721 325318383 /nfs/dbraw/zinc/31/83/83/325318383.db2.gz PYYDPHGTLVJSLT-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP COCCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860721 325318385 /nfs/dbraw/zinc/31/83/85/325318385.db2.gz PYYDPHGTLVJSLT-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP COCCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860721 325318386 /nfs/dbraw/zinc/31/83/86/325318386.db2.gz PYYDPHGTLVJSLT-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCOCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003067 325325621 /nfs/dbraw/zinc/32/56/21/325325621.db2.gz CKPOHJDTEKSAJM-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003067 325325623 /nfs/dbraw/zinc/32/56/23/325325623.db2.gz CKPOHJDTEKSAJM-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCOC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242952 326021669 /nfs/dbraw/zinc/02/16/69/326021669.db2.gz PBNSTQKCJXUKBB-ZDUSSCGKSA-N 2 1 240.347 1.015 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000566648768 326071250 /nfs/dbraw/zinc/07/12/50/326071250.db2.gz CVCSRHHNYLDSAL-BFHYXJOUSA-N 2 1 241.423 1.787 20 0 BDADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000566648768 326071251 /nfs/dbraw/zinc/07/12/51/326071251.db2.gz CVCSRHHNYLDSAL-BFHYXJOUSA-N 2 1 241.423 1.787 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566867056 326089008 /nfs/dbraw/zinc/08/90/08/326089008.db2.gz TXFWHGRQUKKMLS-XDQVBPFNSA-N 3 1 239.407 1.719 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNc1nc(C)ncc1C ZINC000567290884 326156976 /nfs/dbraw/zinc/15/69/76/326156976.db2.gz OKUDPPYOWUQMHD-ZDUSSCGKSA-N 2 1 248.374 1.802 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156076146 326218408 /nfs/dbraw/zinc/21/84/08/326218408.db2.gz IZLQCRPEUYXUOL-AAVRWANBSA-N 2 1 238.375 1.770 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(O)CCC2)C1 ZINC000567680989 326244121 /nfs/dbraw/zinc/24/41/21/326244121.db2.gz JYRGOKQUZCUXOR-GFCCVEGCSA-N 2 1 226.364 1.223 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000567748230 326255114 /nfs/dbraw/zinc/25/51/14/326255114.db2.gz OLZJTPSJOFXCSV-MNOVXSKESA-N 2 1 242.363 1.387 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000567871212 326273930 /nfs/dbraw/zinc/27/39/30/326273930.db2.gz ZRCPYGSKFYRZCF-YFKTTZPYSA-N 3 1 213.369 1.232 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000567899631 326274678 /nfs/dbraw/zinc/27/46/78/326274678.db2.gz LITXSXRJVJBONK-WRWGMCAJSA-N 2 1 212.337 1.284 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H](C)C1 ZINC000568165560 326317614 /nfs/dbraw/zinc/31/76/14/326317614.db2.gz QOJHBSWHKQPYDM-MJBXVCDLSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000568165560 326317616 /nfs/dbraw/zinc/31/76/16/326317616.db2.gz QOJHBSWHKQPYDM-MJBXVCDLSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000568165560 326317617 /nfs/dbraw/zinc/31/76/17/326317617.db2.gz QOJHBSWHKQPYDM-MJBXVCDLSA-N 2 1 242.407 1.667 20 0 BDADMP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000083949215 487972080 /nfs/dbraw/zinc/97/20/80/487972080.db2.gz FKWGXXWDEDIVLF-FRRDWIJNSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000235523718 487976810 /nfs/dbraw/zinc/97/68/10/487976810.db2.gz WBCZKVQOQCCANP-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400468351 487980572 /nfs/dbraw/zinc/98/05/72/487980572.db2.gz UKMZCXYTGMCUMS-RWMBFGLXSA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000310410421 487981256 /nfs/dbraw/zinc/98/12/56/487981256.db2.gz OUFSUKIBVJBFSL-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000310410421 487981262 /nfs/dbraw/zinc/98/12/62/487981262.db2.gz OUFSUKIBVJBFSL-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000310410421 487981266 /nfs/dbraw/zinc/98/12/66/487981266.db2.gz OUFSUKIBVJBFSL-MCIONIFRSA-N 2 1 242.407 1.808 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000045706798 488026835 /nfs/dbraw/zinc/02/68/35/488026835.db2.gz NTVNTMFXQSKBCA-GMTAPVOTSA-N 2 1 200.326 1.081 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1ccc(CO)cc1 ZINC000227573143 488033805 /nfs/dbraw/zinc/03/38/05/488033805.db2.gz COLXZYJOEONAIJ-UHFFFAOYSA-N 2 1 222.332 1.220 20 0 BDADMP CC[C@@H](O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230026382 488038387 /nfs/dbraw/zinc/03/83/87/488038387.db2.gz VICAYMJGHVEFFU-CQSZACIVSA-N 2 1 236.359 1.608 20 0 BDADMP CO[C@H](C)C[N@@H+](C[C@@H]1CC[NH2+]C1)C(C)C ZINC000390818953 488045616 /nfs/dbraw/zinc/04/56/16/488045616.db2.gz RZJKQILOYBMZDU-VXGBXAGGSA-N 2 1 214.353 1.341 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C1CCC1)C1CCC1 ZINC000653695901 488052052 /nfs/dbraw/zinc/05/20/52/488052052.db2.gz CYOLNRXRUGSJDE-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C1CCC1)C1CCC1 ZINC000653695901 488052055 /nfs/dbraw/zinc/05/20/55/488052055.db2.gz CYOLNRXRUGSJDE-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP COCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084480757 488053806 /nfs/dbraw/zinc/05/38/06/488053806.db2.gz HPENQJORPIRZDY-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CC1(C)CN(Cc2cnc3n2CCC3)CCCO1 ZINC000667655570 488076513 /nfs/dbraw/zinc/07/65/13/488076513.db2.gz JXRMGRNGIWJXMR-UHFFFAOYSA-N 2 1 249.358 1.830 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000389123563 488077596 /nfs/dbraw/zinc/07/75/96/488077596.db2.gz CPPJTPVTXKOURK-AGIUHOORSA-N 2 1 225.380 1.330 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000389123563 488077598 /nfs/dbraw/zinc/07/75/98/488077598.db2.gz CPPJTPVTXKOURK-AGIUHOORSA-N 2 1 225.380 1.330 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000124208350 488078959 /nfs/dbraw/zinc/07/89/59/488078959.db2.gz YTBLLRQMKWQYAP-UHFFFAOYSA-N 2 1 244.342 1.671 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000166640963 488099950 /nfs/dbraw/zinc/09/99/50/488099950.db2.gz MLAAWAQAJRZLAC-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP CC[C@@]1([NH2+]CCCn2cc[nH+]c2C)CCOC1 ZINC000683040605 488102767 /nfs/dbraw/zinc/10/27/67/488102767.db2.gz CPXPHQWBPXMOSU-CYBMUJFWSA-N 2 1 237.347 1.740 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000389609159 488103160 /nfs/dbraw/zinc/10/31/60/488103160.db2.gz AMERIRAXSCCHQN-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CC[N@H+]1C ZINC000227648879 488108369 /nfs/dbraw/zinc/10/83/69/488108369.db2.gz CHLZALHRWNTUIO-NELGMTEASA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667775316 488117847 /nfs/dbraw/zinc/11/78/47/488117847.db2.gz JATVTJIJTIFOJC-KGLIPLIRSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070086535 487537976 /nfs/dbraw/zinc/53/79/76/487537976.db2.gz DCNVHKRCSFVOMG-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CCc1cc(N[C@@H]2CC[NH2+][C@@H](C)C2)nc(C)[nH+]1 ZINC000234172286 488129507 /nfs/dbraw/zinc/12/95/07/488129507.db2.gz IHXDRDGMHPCJCK-JOYOIKCWSA-N 2 1 234.347 1.900 20 0 BDADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000668698461 488130000 /nfs/dbraw/zinc/13/00/00/488130000.db2.gz CGMAMEOCQFQQSD-QJPTWQEYSA-N 2 1 224.348 1.116 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000310543760 488130289 /nfs/dbraw/zinc/13/02/89/488130289.db2.gz RTEHVZZWIHTIRL-MGPQQGTHSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000310543760 488130295 /nfs/dbraw/zinc/13/02/95/488130295.db2.gz RTEHVZZWIHTIRL-MGPQQGTHSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000310543760 488130301 /nfs/dbraw/zinc/13/03/01/488130301.db2.gz RTEHVZZWIHTIRL-MGPQQGTHSA-N 2 1 242.407 1.665 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000168862653 487547723 /nfs/dbraw/zinc/54/77/23/487547723.db2.gz HLIZKRARKZCBCM-NSHDSACASA-N 2 1 236.363 1.024 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000168862653 487547725 /nfs/dbraw/zinc/54/77/25/487547725.db2.gz HLIZKRARKZCBCM-NSHDSACASA-N 2 1 236.363 1.024 20 0 BDADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCOC1 ZINC000674302563 487554826 /nfs/dbraw/zinc/55/48/26/487554826.db2.gz ODKFQALZJDVPKP-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCOC1 ZINC000674302563 487554829 /nfs/dbraw/zinc/55/48/29/487554829.db2.gz ODKFQALZJDVPKP-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000674302563 487554831 /nfs/dbraw/zinc/55/48/31/487554831.db2.gz ODKFQALZJDVPKP-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000674302563 487554833 /nfs/dbraw/zinc/55/48/33/487554833.db2.gz ODKFQALZJDVPKP-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000086701920 487532932 /nfs/dbraw/zinc/53/29/32/487532932.db2.gz MQAUNCGFVOKJBD-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC[N@@H+](CCN)CC[C@@H]1CCCCO1 ZINC000231819218 487477397 /nfs/dbraw/zinc/47/73/97/487477397.db2.gz HJGZRILGLACZDP-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CC[N@H+](CC[NH3+])CC[C@@H]1CCCCO1 ZINC000231819218 487477406 /nfs/dbraw/zinc/47/74/06/487477406.db2.gz HJGZRILGLACZDP-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CC[N@@H+](CC[NH3+])CC[C@@H]1CCCCO1 ZINC000231819218 487477408 /nfs/dbraw/zinc/47/74/08/487477408.db2.gz HJGZRILGLACZDP-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000227056025 487484645 /nfs/dbraw/zinc/48/46/45/487484645.db2.gz DFJDEWLDPOFHRD-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000399627301 487491140 /nfs/dbraw/zinc/49/11/40/487491140.db2.gz VRNWQHNGVQQPJF-AAVRWANBSA-N 2 1 242.407 1.664 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000399627301 487491144 /nfs/dbraw/zinc/49/11/44/487491144.db2.gz VRNWQHNGVQQPJF-AAVRWANBSA-N 2 1 242.407 1.664 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000399627301 487491151 /nfs/dbraw/zinc/49/11/51/487491151.db2.gz VRNWQHNGVQQPJF-AAVRWANBSA-N 2 1 242.407 1.664 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257601 487493567 /nfs/dbraw/zinc/49/35/67/487493567.db2.gz OPDOZLMINWOQPE-NSHDSACASA-N 2 1 224.348 1.382 20 0 BDADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](C)[NH3+])c1ccccc1 ZINC000249107091 487494968 /nfs/dbraw/zinc/49/49/68/487494968.db2.gz PTGKDDNSPMURSY-WCQYABFASA-N 2 1 249.358 1.143 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(C)(C)C2CC2)CCO1 ZINC000406078697 487500243 /nfs/dbraw/zinc/50/02/43/487500243.db2.gz WCEZRFIQTKBOFE-DGCLKSJQSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CCO1 ZINC000406078697 487500250 /nfs/dbraw/zinc/50/02/50/487500250.db2.gz WCEZRFIQTKBOFE-DGCLKSJQSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000324046156 487501807 /nfs/dbraw/zinc/50/18/07/487501807.db2.gz XJRCBYXVQQEFNV-UONOGXRCSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000324046156 487501815 /nfs/dbraw/zinc/50/18/15/487501815.db2.gz XJRCBYXVQQEFNV-UONOGXRCSA-N 2 1 240.391 1.466 20 0 BDADMP CO[C@@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274606 487523065 /nfs/dbraw/zinc/52/30/65/487523065.db2.gz XULCCBXOFJYBSI-KGLIPLIRSA-N 2 1 240.391 1.861 20 0 BDADMP CO[C@@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)C1CCCC1 ZINC000662274606 487523069 /nfs/dbraw/zinc/52/30/69/487523069.db2.gz XULCCBXOFJYBSI-KGLIPLIRSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662274585 487523509 /nfs/dbraw/zinc/52/35/09/487523509.db2.gz XHVSSEYAJYTLML-RNJOBUHISA-N 2 1 208.349 1.703 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C ZINC000379894190 488155210 /nfs/dbraw/zinc/15/52/10/488155210.db2.gz BLHCZAIPLLPPFD-RYUDHWBXSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C ZINC000379894190 488155213 /nfs/dbraw/zinc/15/52/13/488155213.db2.gz BLHCZAIPLLPPFD-RYUDHWBXSA-N 2 1 214.353 1.172 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000093210223 488139467 /nfs/dbraw/zinc/13/94/67/488139467.db2.gz BWMSSJYTMXYMHS-ZIAGYGMSSA-N 3 1 239.407 1.722 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667860361 488140179 /nfs/dbraw/zinc/14/01/79/488140179.db2.gz NGPVMLIVGYTJRS-KWCYVHTRSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCF)C2 ZINC000379658395 488147082 /nfs/dbraw/zinc/14/70/82/488147082.db2.gz NJIZWTFKUJIUTF-QWRGUYRKSA-N 2 1 200.301 1.407 20 0 BDADMP CCC[NH+]1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000397830282 488158151 /nfs/dbraw/zinc/15/81/51/488158151.db2.gz MTVQJHRTEYKCBR-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCC1CC1 ZINC000390557453 488166191 /nfs/dbraw/zinc/16/61/91/488166191.db2.gz IXTIQRWEWHPUAU-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCC1CC1 ZINC000390557453 488166193 /nfs/dbraw/zinc/16/61/93/488166193.db2.gz IXTIQRWEWHPUAU-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCC1CC1 ZINC000390557453 488166200 /nfs/dbraw/zinc/16/62/00/488166200.db2.gz IXTIQRWEWHPUAU-ZDUSSCGKSA-N 2 1 228.380 1.419 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC12CCOCC2 ZINC000683525257 488185386 /nfs/dbraw/zinc/18/53/86/488185386.db2.gz RWEXUILPSJGDKN-UHFFFAOYSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC12CCOCC2 ZINC000683525257 488185390 /nfs/dbraw/zinc/18/53/90/488185390.db2.gz RWEXUILPSJGDKN-UHFFFAOYSA-N 2 1 249.358 1.837 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCOC1 ZINC000678073242 488191867 /nfs/dbraw/zinc/19/18/67/488191867.db2.gz OGYTXIUZDUWFEF-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000678073242 488191869 /nfs/dbraw/zinc/19/18/69/488191869.db2.gz OGYTXIUZDUWFEF-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CCOC1 ZINC000678073242 488191870 /nfs/dbraw/zinc/19/18/70/488191870.db2.gz OGYTXIUZDUWFEF-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000647336110 488192504 /nfs/dbraw/zinc/19/25/04/488192504.db2.gz MPDGYYHVIGYHAJ-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1COCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000678080931 488192952 /nfs/dbraw/zinc/19/29/52/488192952.db2.gz QGQSYUUINLPYNS-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1COCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678080931 488192955 /nfs/dbraw/zinc/19/29/55/488192955.db2.gz QGQSYUUINLPYNS-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1COCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678080931 488192957 /nfs/dbraw/zinc/19/29/57/488192957.db2.gz QGQSYUUINLPYNS-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668740865 488193634 /nfs/dbraw/zinc/19/36/34/488193634.db2.gz XWLZABWWCNOEGI-DYEKYZERSA-N 2 1 238.375 1.173 20 0 BDADMP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1C ZINC000683700160 488210125 /nfs/dbraw/zinc/21/01/25/488210125.db2.gz LAWNZPMPHLVVBU-ZIAGYGMSSA-N 2 1 246.354 1.655 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@]1(C)CCCO1 ZINC000683889698 488237441 /nfs/dbraw/zinc/23/74/41/488237441.db2.gz YOCWXSZATUCFCG-WCQYABFASA-N 2 1 237.347 1.510 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCOC2)CC[N@@H+]1C ZINC000678549701 488266479 /nfs/dbraw/zinc/26/64/79/488266479.db2.gz WKKCDGKJBJAVTB-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCOC2)CC[N@H+]1C ZINC000678549701 488266482 /nfs/dbraw/zinc/26/64/82/488266482.db2.gz WKKCDGKJBJAVTB-AGIUHOORSA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000684372536 488302186 /nfs/dbraw/zinc/30/21/86/488302186.db2.gz QYFWMVAMCNIXIM-MCIONIFRSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]cc2C)C[C@@H]1C ZINC000684579379 488328864 /nfs/dbraw/zinc/32/88/64/488328864.db2.gz JJWOBTLJKFNEGL-LBPRGKRZSA-N 2 1 219.332 1.920 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000679359887 488345603 /nfs/dbraw/zinc/34/56/03/488345603.db2.gz RQBPPSMWWMWZRO-JTQLQIEISA-N 2 1 234.347 1.631 20 0 BDADMP CC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655701095 490088843 /nfs/dbraw/zinc/08/88/43/490088843.db2.gz SIKLDUFEUZFWMN-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000314623479 490092220 /nfs/dbraw/zinc/09/22/20/490092220.db2.gz BSQSFRLCMBUIHX-AWEZNQCLSA-N 2 1 248.374 1.038 20 0 BDADMP [NH3+]CCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000415121860 490214775 /nfs/dbraw/zinc/21/47/75/490214775.db2.gz KYLFOKRPWZSZRP-QWHCGFSZSA-N 2 1 220.316 1.143 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123518798 490240856 /nfs/dbraw/zinc/24/08/56/490240856.db2.gz OAOFDTHHYKEPHQ-AGIUHOORSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123518798 490240862 /nfs/dbraw/zinc/24/08/62/490240862.db2.gz OAOFDTHHYKEPHQ-AGIUHOORSA-N 2 1 228.380 1.466 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661972343 490243621 /nfs/dbraw/zinc/24/36/21/490243621.db2.gz PPNJTGPXMOTKGV-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972343 490243624 /nfs/dbraw/zinc/24/36/24/490243624.db2.gz PPNJTGPXMOTKGV-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972343 490243628 /nfs/dbraw/zinc/24/36/28/490243628.db2.gz PPNJTGPXMOTKGV-RWMBFGLXSA-N 2 1 208.349 1.813 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000071200809 490257789 /nfs/dbraw/zinc/25/77/89/490257789.db2.gz UBMABSJWOXLOBW-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000071200809 490257792 /nfs/dbraw/zinc/25/77/92/490257792.db2.gz UBMABSJWOXLOBW-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@@H+]1C ZINC000121344184 491103775 /nfs/dbraw/zinc/10/37/75/491103775.db2.gz IFSAETZKOXPFIQ-FQUUOJAGSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC[N@H+]1C ZINC000121344184 491103776 /nfs/dbraw/zinc/10/37/76/491103776.db2.gz IFSAETZKOXPFIQ-FQUUOJAGSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000571304303 491124078 /nfs/dbraw/zinc/12/40/78/491124078.db2.gz HUHJSKFCPDPVPU-BPLDGKMQSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000571304303 491124080 /nfs/dbraw/zinc/12/40/80/491124080.db2.gz HUHJSKFCPDPVPU-BPLDGKMQSA-N 2 1 248.370 1.792 20 0 BDADMP COCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320294 491124420 /nfs/dbraw/zinc/12/44/20/491124420.db2.gz FIZXIZQFERQNDF-GASCZTMLSA-N 2 1 246.354 1.484 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000083425634 491161634 /nfs/dbraw/zinc/16/16/34/491161634.db2.gz RPLXFCCWENYZML-STQMWFEESA-N 2 1 228.380 1.875 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])CC1 ZINC001172767181 974936443 /nfs/dbraw/zinc/93/64/43/974936443.db2.gz XMRZWMSHYQKKIB-QWRGUYRKSA-N 2 1 242.363 1.435 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348100666 582524986 /nfs/dbraw/zinc/52/49/86/582524986.db2.gz HCAKRDNZBCMCPM-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000400467787 533900376 /nfs/dbraw/zinc/90/03/76/533900376.db2.gz UFHNMYGTEYLQBE-TUAOUCFPSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000400496206 533905388 /nfs/dbraw/zinc/90/53/88/533905388.db2.gz DQQZMEZNALCFDC-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)OC)C1 ZINC000174214786 535586117 /nfs/dbraw/zinc/58/61/17/535586117.db2.gz LPKQGNHDXDWGLU-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)OC)C1 ZINC000174214786 535586121 /nfs/dbraw/zinc/58/61/21/535586121.db2.gz LPKQGNHDXDWGLU-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)nc1 ZINC000400821512 534064652 /nfs/dbraw/zinc/06/46/52/534064652.db2.gz FQQYERDDISEERO-GFCCVEGCSA-N 2 1 219.332 1.479 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000219859542 535840867 /nfs/dbraw/zinc/84/08/67/535840867.db2.gz DHMPMHAHMOQXAH-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000219859542 535840871 /nfs/dbraw/zinc/84/08/71/535840871.db2.gz DHMPMHAHMOQXAH-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000227556461 536091851 /nfs/dbraw/zinc/09/18/51/536091851.db2.gz KRIBUFXQKPPORH-REWJHTLYSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H]1COCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892077441 582786803 /nfs/dbraw/zinc/78/68/03/582786803.db2.gz SDWLBVGILHRANB-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261852111 534614076 /nfs/dbraw/zinc/61/40/76/534614076.db2.gz BGMRCRFMYTVLTA-XQQFMLRXSA-N 2 1 240.391 1.779 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261545465 536521467 /nfs/dbraw/zinc/52/14/67/536521467.db2.gz KBKSTSGYUIXRSP-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@@H+](CCN[C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400721424 528517700 /nfs/dbraw/zinc/51/77/00/528517700.db2.gz OPQZJLAHFPCJKX-YPMHNXCESA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400509126 528880215 /nfs/dbraw/zinc/88/02/15/528880215.db2.gz KWWPRBPEZAJICH-TUAOUCFPSA-N 2 1 214.353 1.124 20 0 BDADMP CCOC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000400469015 528994279 /nfs/dbraw/zinc/99/42/79/528994279.db2.gz UNLZRUSTSZBQCE-XQQFMLRXSA-N 2 1 228.380 1.778 20 0 BDADMP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000336897530 535001404 /nfs/dbraw/zinc/00/14/04/535001404.db2.gz PJDQGUBOSYMZLD-DGCLKSJQSA-N 2 1 238.375 1.628 20 0 BDADMP CCC(CC)C[N@@H+](CC)CCOCC[NH3+] ZINC000086435494 535017846 /nfs/dbraw/zinc/01/78/46/535017846.db2.gz ILYHGJVDQSQRNR-UHFFFAOYSA-N 2 1 216.369 1.720 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226867955 535048881 /nfs/dbraw/zinc/04/88/81/535048881.db2.gz WAFJYAZLLNGTOU-TUAOUCFPSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261540675 535177440 /nfs/dbraw/zinc/17/74/40/535177440.db2.gz HBYNSQKINFBVAB-MELADBBJSA-N 2 1 240.391 1.718 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178977376 535203659 /nfs/dbraw/zinc/20/36/59/535203659.db2.gz IFOKHXCCNUHWAH-CQSZACIVSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC[C@H]1CCCO1 ZINC000261534916 535308630 /nfs/dbraw/zinc/30/86/30/535308630.db2.gz NJURZUOJJVAPDD-VXGBXAGGSA-N 2 1 214.353 1.519 20 0 BDADMP CC[NH+](CC(O)C[N@H+](CC)C(C)C)C(C)C ZINC000181786821 535388072 /nfs/dbraw/zinc/38/80/72/535388072.db2.gz RBCWJNLOMZDABF-UHFFFAOYSA-N 2 1 230.396 1.808 20 0 BDADMP CCOc1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000261593651 535457173 /nfs/dbraw/zinc/45/71/73/535457173.db2.gz XCSPWPQSYPDQKJ-UHFFFAOYSA-N 2 1 222.332 1.912 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000174214264 535585860 /nfs/dbraw/zinc/58/58/60/535585860.db2.gz CMIVFZVIOABZGP-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC(=O)CC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348064840 535643515 /nfs/dbraw/zinc/64/35/15/535643515.db2.gz ASHCASCAFZPPFE-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CCOC(=O)CC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348064840 535643521 /nfs/dbraw/zinc/64/35/21/535643521.db2.gz ASHCASCAFZPPFE-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CCOC(=O)CC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348064840 535643523 /nfs/dbraw/zinc/64/35/23/535643523.db2.gz ASHCASCAFZPPFE-LBPRGKRZSA-N 2 1 242.363 1.356 20 0 BDADMP CCn1cc(C[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000086638437 536044865 /nfs/dbraw/zinc/04/48/65/536044865.db2.gz CBAWLOMBZVAVKK-UHFFFAOYSA-N 2 1 224.352 1.320 20 0 BDADMP CCn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000086638437 536044872 /nfs/dbraw/zinc/04/48/72/536044872.db2.gz CBAWLOMBZVAVKK-UHFFFAOYSA-N 2 1 224.352 1.320 20 0 BDADMP CCc1nc(N2CC[C@@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC000261542164 536125145 /nfs/dbraw/zinc/12/51/45/536125145.db2.gz BWWJBJWMOLNFEL-ZDUSSCGKSA-N 2 1 234.347 1.523 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cc(F)cc(F)c1 ZINC000084934202 536342529 /nfs/dbraw/zinc/34/25/29/536342529.db2.gz AFTKMMOZNPSHDR-UHFFFAOYSA-N 2 1 214.259 1.745 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cc(F)cc(F)c1 ZINC000084934202 536342533 /nfs/dbraw/zinc/34/25/33/536342533.db2.gz AFTKMMOZNPSHDR-UHFFFAOYSA-N 2 1 214.259 1.745 20 0 BDADMP C[NH+]1CCC([NH2+]C2CC(C)(F)C2)CC1 ZINC000335375312 536343367 /nfs/dbraw/zinc/34/33/67/536343367.db2.gz ZPUPPXBRIMFVEO-UHFFFAOYSA-N 2 1 200.301 1.561 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000230409325 536344211 /nfs/dbraw/zinc/34/42/11/536344211.db2.gz PHKRVLMYJSXBLH-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000170804277 536346828 /nfs/dbraw/zinc/34/68/28/536346828.db2.gz DNTKAZIJLQPCME-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCO1 ZINC000170804277 536346830 /nfs/dbraw/zinc/34/68/30/536346830.db2.gz DNTKAZIJLQPCME-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)C1(C)C ZINC000335722223 536370916 /nfs/dbraw/zinc/37/09/16/536370916.db2.gz WGEJNZYDGUINPI-NEPJUHHUSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](O)C1(C)C ZINC000335722223 536370918 /nfs/dbraw/zinc/37/09/18/536370918.db2.gz WGEJNZYDGUINPI-NEPJUHHUSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](O)C1(C)C ZINC000335722223 536370920 /nfs/dbraw/zinc/37/09/20/536370920.db2.gz WGEJNZYDGUINPI-NEPJUHHUSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+]2CCC[C@@H]2C1 ZINC000179245113 536389577 /nfs/dbraw/zinc/38/95/77/536389577.db2.gz KGJAJHMWYSPBCE-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179245113 536389578 /nfs/dbraw/zinc/38/95/78/536389578.db2.gz KGJAJHMWYSPBCE-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179245113 536389579 /nfs/dbraw/zinc/38/95/79/536389579.db2.gz KGJAJHMWYSPBCE-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC000169245522 536459028 /nfs/dbraw/zinc/45/90/28/536459028.db2.gz BMBHQQQCSRGEHT-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261563701 536692967 /nfs/dbraw/zinc/69/29/67/536692967.db2.gz XELDUGADKPBUDI-MFKMUULPSA-N 2 1 235.331 1.320 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261536540 536707878 /nfs/dbraw/zinc/70/78/78/536707878.db2.gz SBMKYFRDUKQKNM-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cc(N)nc(N[C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000893914251 583246301 /nfs/dbraw/zinc/24/63/01/583246301.db2.gz MECIZIFGYJZIIK-SNVBAGLBSA-N 2 1 237.351 1.508 20 0 BDADMP Cc1cc(N)nc(N[C@H](C)C[N@H+](C)C(C)C)[nH+]1 ZINC000893914251 583246303 /nfs/dbraw/zinc/24/63/03/583246303.db2.gz MECIZIFGYJZIIK-SNVBAGLBSA-N 2 1 237.351 1.508 20 0 BDADMP Cc1cc(N)nc(N[C@H](C)C[N@@H+](C)C(C)C)[nH+]1 ZINC000893914251 583246304 /nfs/dbraw/zinc/24/63/04/583246304.db2.gz MECIZIFGYJZIIK-SNVBAGLBSA-N 2 1 237.351 1.508 20 0 BDADMP Cc1noc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000893972955 583265449 /nfs/dbraw/zinc/26/54/49/583265449.db2.gz MIQHDIGFRNOSID-VIFPVBQESA-N 2 1 238.335 1.370 20 0 BDADMP CC[NH+]1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000891393142 582676984 /nfs/dbraw/zinc/67/69/84/582676984.db2.gz NVZRDXHLZKQAJD-UHFFFAOYSA-N 2 1 240.738 1.459 20 0 BDADMP CC/C=C/CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849035264 582836476 /nfs/dbraw/zinc/83/64/76/582836476.db2.gz BOHZEJXIUCABCB-FYJFLYSWSA-N 2 1 238.379 1.551 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CSC2)C1 ZINC000393685627 582915787 /nfs/dbraw/zinc/91/57/87/582915787.db2.gz YOPQUGUOKPBIDE-SNVBAGLBSA-N 2 1 214.378 1.423 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000892674213 582948446 /nfs/dbraw/zinc/94/84/46/582948446.db2.gz UJDVWNLLAOXFSE-VHSXEESVSA-N 2 1 235.335 1.262 20 0 BDADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2CO)C[N@H+]1C1CC1 ZINC000892875628 583001967 /nfs/dbraw/zinc/00/19/67/583001967.db2.gz HEOIOACYRPJDHV-CMPLNLGQSA-N 2 1 247.342 1.033 20 0 BDADMP CC[C@@H]1CC[C@@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000302512071 583161484 /nfs/dbraw/zinc/16/14/84/583161484.db2.gz CHHPQSKGXLYCRM-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)CC1 ZINC000893570391 583165433 /nfs/dbraw/zinc/16/54/33/583165433.db2.gz DQXWCZOPUSVQMY-CYBMUJFWSA-N 2 1 248.374 1.888 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)CN1C ZINC000893668432 583191564 /nfs/dbraw/zinc/19/15/64/583191564.db2.gz FJVUPDOEYQSXKL-CHWSQXEVSA-N 2 1 239.407 1.353 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC000894450180 583461930 /nfs/dbraw/zinc/46/19/30/583461930.db2.gz SYDBXVNGSRDYJM-UHFFFAOYSA-N 2 1 223.320 1.171 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000894450180 583461933 /nfs/dbraw/zinc/46/19/33/583461933.db2.gz SYDBXVNGSRDYJM-UHFFFAOYSA-N 2 1 223.320 1.171 20 0 BDADMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)CO ZINC000894640202 583498388 /nfs/dbraw/zinc/49/83/88/583498388.db2.gz YHRZFUDJUTWRCP-NSHDSACASA-N 2 1 214.353 1.031 20 0 BDADMP C[NH+]1CCC(C[NH2+]C(CF)CF)CC1 ZINC000894668042 583503392 /nfs/dbraw/zinc/50/33/92/583503392.db2.gz OXOAXLFSMGCAOB-UHFFFAOYSA-N 2 1 206.280 1.225 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000894708056 583512209 /nfs/dbraw/zinc/51/22/09/583512209.db2.gz RFEYJTYAOPHFRE-LBPRGKRZSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857851941 588912914 /nfs/dbraw/zinc/91/29/14/588912914.db2.gz SSLHKWCLQIUOKW-GFCCVEGCSA-N 2 1 236.363 1.719 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCc3n[nH]cc3C2)CC1 ZINC000895540105 583687844 /nfs/dbraw/zinc/68/78/44/583687844.db2.gz BBEGEJRFYUBYQR-UHFFFAOYSA-N 2 1 234.347 1.110 20 0 BDADMP C[C@@H]1[C@@H](Nc2nccc(N(C)C)n2)CC[N@H+]1C ZINC000895740219 583714644 /nfs/dbraw/zinc/71/46/44/583714644.db2.gz MKVVPFJSCMBDLQ-ZJUUUORDSA-N 2 1 235.335 1.047 20 0 BDADMP CN1CC[C@@H]1CNc1cc(NCC2CC2)ncn1 ZINC000895771524 583725629 /nfs/dbraw/zinc/72/56/29/583725629.db2.gz MZYCNGWBGUJLFY-LLVKDONJSA-N 2 1 247.346 1.415 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000858127597 588934415 /nfs/dbraw/zinc/93/44/15/588934415.db2.gz JRVKPMQUPFJKBG-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127597 588934416 /nfs/dbraw/zinc/93/44/16/588934416.db2.gz JRVKPMQUPFJKBG-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127597 588934417 /nfs/dbraw/zinc/93/44/17/588934417.db2.gz JRVKPMQUPFJKBG-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP CN1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127597 588934418 /nfs/dbraw/zinc/93/44/18/588934418.db2.gz JRVKPMQUPFJKBG-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP CN1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127597 588934419 /nfs/dbraw/zinc/93/44/19/588934419.db2.gz JRVKPMQUPFJKBG-VXGBXAGGSA-N 2 1 225.380 1.153 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CCO)C2CC2)CC1(C)C ZINC000858144164 588934923 /nfs/dbraw/zinc/93/49/23/588934923.db2.gz IKVWXJITCZUESH-OLZOCXBDSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858155105 588936241 /nfs/dbraw/zinc/93/62/41/588936241.db2.gz AJKFBDXOAHJYJB-UHFFFAOYSA-N 2 1 235.306 1.572 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2CC[NH2+]CC2)O1 ZINC000232018115 583849207 /nfs/dbraw/zinc/84/92/07/583849207.db2.gz AJZYNOCKPXLSPA-JQWIXIFHSA-N 2 1 212.337 1.238 20 0 BDADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000858099220 588932759 /nfs/dbraw/zinc/93/27/59/588932759.db2.gz UXHUBPFNLVCLJU-QWHCGFSZSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000858099220 588932760 /nfs/dbraw/zinc/93/27/60/588932760.db2.gz UXHUBPFNLVCLJU-QWHCGFSZSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000858099218 588932832 /nfs/dbraw/zinc/93/28/32/588932832.db2.gz UXHUBPFNLVCLJU-CHWSQXEVSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000858099218 588932833 /nfs/dbraw/zinc/93/28/33/588932833.db2.gz UXHUBPFNLVCLJU-CHWSQXEVSA-N 2 1 249.333 1.937 20 0 BDADMP C[N@H+](C[C@@H]1CC2(CCC2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000872142986 583948202 /nfs/dbraw/zinc/94/82/02/583948202.db2.gz IEDPTSTYWACXIG-STQMWFEESA-N 2 1 238.375 1.615 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000872142986 583948204 /nfs/dbraw/zinc/94/82/04/583948204.db2.gz IEDPTSTYWACXIG-STQMWFEESA-N 2 1 238.375 1.615 20 0 BDADMP CC[N@H+]1CCCN(CC[NH+]2CCCC2)CC1 ZINC000204441488 584000758 /nfs/dbraw/zinc/00/07/58/584000758.db2.gz OAHSFTJZDVXDEN-UHFFFAOYSA-N 2 1 225.380 1.110 20 0 BDADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000897536452 584009561 /nfs/dbraw/zinc/00/95/61/584009561.db2.gz LTNSUNDCLKVGEU-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCC[C@H]3CCO3)C[C@]2(C)C1 ZINC000897620076 584032708 /nfs/dbraw/zinc/03/27/08/584032708.db2.gz GKNFWMBHCDDDMU-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCC[C@H]3CCO3)C[C@]2(C)C1 ZINC000897620076 584032710 /nfs/dbraw/zinc/03/27/10/584032710.db2.gz GKNFWMBHCDDDMU-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCC[C@H]3CCO3)C[C@]2(C)C1 ZINC000897620076 584032712 /nfs/dbraw/zinc/03/27/12/584032712.db2.gz GKNFWMBHCDDDMU-RDBSUJKOSA-N 2 1 238.375 1.439 20 0 BDADMP CCC[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000897620274 584032803 /nfs/dbraw/zinc/03/28/03/584032803.db2.gz KOJHDTFSLNOKFP-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CCC[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000897620274 584032805 /nfs/dbraw/zinc/03/28/05/584032805.db2.gz KOJHDTFSLNOKFP-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CCC[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000897620274 584032807 /nfs/dbraw/zinc/03/28/07/584032807.db2.gz KOJHDTFSLNOKFP-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897818105 584051161 /nfs/dbraw/zinc/05/11/61/584051161.db2.gz FDOGGJZXWWICTD-OYFCHPHHSA-N 2 1 248.370 1.379 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)CC1 ZINC000897955325 584064953 /nfs/dbraw/zinc/06/49/53/584064953.db2.gz SIEDTRTYKMDJTE-KGYLQXTDSA-N 2 1 208.349 1.859 20 0 BDADMP O[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000898203180 584090493 /nfs/dbraw/zinc/09/04/93/584090493.db2.gz GJNTYSFQVSPHLQ-BFHYXJOUSA-N 2 1 238.375 1.364 20 0 BDADMP O[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000898198779 584098438 /nfs/dbraw/zinc/09/84/38/584098438.db2.gz UNPKDNIMRWKHGN-AWEZNQCLSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]c(CO)c2)[C@@H](C)C[N@H+]1C ZINC000858464597 588957676 /nfs/dbraw/zinc/95/76/76/588957676.db2.gz OYNLJEOSQMQPKE-MNOVXSKESA-N 2 1 235.331 1.103 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899267221 584190292 /nfs/dbraw/zinc/19/02/92/584190292.db2.gz MHOZGDDRISEHIQ-NSHDSACASA-N 2 1 240.395 1.631 20 0 BDADMP C[NH+]1CCC2(CC[N@H+]2C[C@](C)(O)C(F)F)CC1 ZINC000899909403 584249608 /nfs/dbraw/zinc/24/96/08/584249608.db2.gz BFQJITRATGZROX-NSHDSACASA-N 2 1 248.317 1.173 20 0 BDADMP Cc1nc(N[C@@H]2C[NH2+]CC2(C)C)c(C)c(C)[nH+]1 ZINC000900020467 584266603 /nfs/dbraw/zinc/26/66/03/584266603.db2.gz AOMFSPBVOUWZNU-LLVKDONJSA-N 2 1 234.347 1.812 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000902406582 584574136 /nfs/dbraw/zinc/57/41/36/584574136.db2.gz OIJTVTPWHSDLLY-GHMZBOCLSA-N 2 1 214.328 1.986 20 0 BDADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902407632 584574616 /nfs/dbraw/zinc/57/46/16/584574616.db2.gz SMUBWORLOPGQSO-WCQYABFASA-N 2 1 234.343 1.844 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391067 584581701 /nfs/dbraw/zinc/58/17/01/584581701.db2.gz SJJPKOMZEUAFDI-GFCCVEGCSA-N 3 1 227.396 1.354 20 0 BDADMP COc1cccc2c1CC[C@@H]([NH2+]CC1([NH3+])CC1)C2 ZINC000902404278 584588834 /nfs/dbraw/zinc/58/88/34/584588834.db2.gz DIXSVNVVZNJBJY-GFCCVEGCSA-N 2 1 246.354 1.633 20 0 BDADMP COC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000902443214 584598552 /nfs/dbraw/zinc/59/85/52/584598552.db2.gz KRRPVZKADAIPJR-CHWSQXEVSA-N 2 1 240.391 1.779 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000902473957 584602056 /nfs/dbraw/zinc/60/20/56/584602056.db2.gz AWJMYYYNLJTCQN-RGDJUOJXSA-N 2 1 238.375 1.673 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCO1 ZINC000902474105 584602238 /nfs/dbraw/zinc/60/22/38/584602238.db2.gz CKMBSZPCKCFBOB-RNWYCLNJSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@@H](N[C@H]1C[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000902449081 584605866 /nfs/dbraw/zinc/60/58/66/584605866.db2.gz LUZDHJHXEXDGDO-YPMHNXCESA-N 2 1 239.407 1.304 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCCSC1 ZINC000902450092 584606385 /nfs/dbraw/zinc/60/63/85/584606385.db2.gz QNJISWJPCRHJCZ-VHSXEESVSA-N 2 1 214.378 1.470 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CCC(C)(C)C1 ZINC000902456380 584609962 /nfs/dbraw/zinc/60/99/62/584609962.db2.gz OMMUHHKQWYTZDT-CHWSQXEVSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCCO1 ZINC000902464132 584612284 /nfs/dbraw/zinc/61/22/84/584612284.db2.gz CKMBSZPCKCFBOB-HGCLJGPKSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)C1CC[NH+](C)CC1 ZINC000902467235 584614535 /nfs/dbraw/zinc/61/45/35/584614535.db2.gz NWSJJXBUOQXJRJ-SCUASFONSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC[NH+](C)CC1 ZINC000902467235 584614536 /nfs/dbraw/zinc/61/45/36/584614536.db2.gz NWSJJXBUOQXJRJ-SCUASFONSA-N 2 1 237.391 1.199 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2ccccc21 ZINC000902490104 584617679 /nfs/dbraw/zinc/61/76/79/584617679.db2.gz SDZMIULOZYXGBP-DMTCVQMQSA-N 2 1 231.343 1.458 20 0 BDADMP [NH3+]C[C@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000902490104 584617681 /nfs/dbraw/zinc/61/76/81/584617681.db2.gz SDZMIULOZYXGBP-DMTCVQMQSA-N 2 1 231.343 1.458 20 0 BDADMP C[C@@H]([NH2+]CC[C@H](O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000902506266 584621977 /nfs/dbraw/zinc/62/19/77/584621977.db2.gz XSNZBUXUHDPWSE-RTXFEEFZSA-N 2 1 226.364 1.268 20 0 BDADMP Cc1ncccc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000902513621 584622904 /nfs/dbraw/zinc/62/29/04/584622904.db2.gz MVQVDWQBITYUSS-AWEZNQCLSA-N 2 1 245.370 1.807 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCCN1 ZINC000902484967 584624643 /nfs/dbraw/zinc/62/46/43/584624643.db2.gz XPWXGMULNIQTIL-CHWSQXEVSA-N 2 1 227.396 1.626 20 0 BDADMP C[C@H](CCCC[NH3+])NC[C@H]1CCCCC[NH2+]1 ZINC000902484967 584624644 /nfs/dbraw/zinc/62/46/44/584624644.db2.gz XPWXGMULNIQTIL-CHWSQXEVSA-N 2 1 227.396 1.626 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487651 584626427 /nfs/dbraw/zinc/62/64/27/584626427.db2.gz LJGGHLAHWAFDLJ-HGNGGELXSA-N 2 1 208.309 1.106 20 0 BDADMP C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000902517112 584630150 /nfs/dbraw/zinc/63/01/50/584630150.db2.gz HDTJPVAZAXGNFE-DOERSZECSA-N 2 1 238.375 1.532 20 0 BDADMP Cl/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902521712 584631446 /nfs/dbraw/zinc/63/14/46/584631446.db2.gz SVEYRWCAOQFTSE-SQAYAJRKSA-N 2 1 200.713 1.612 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902795645 584674099 /nfs/dbraw/zinc/67/40/99/584674099.db2.gz HVDCQSJKDNTIAN-GMXVVIOVSA-N 2 1 226.364 1.077 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000903185120 584733614 /nfs/dbraw/zinc/73/36/14/584733614.db2.gz HPENKQFQIGMGDM-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@@H+]1C ZINC000903266145 584741194 /nfs/dbraw/zinc/74/11/94/584741194.db2.gz UDAZZPVCYSWMMR-DEQVHRJGSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1C ZINC000903266145 584741195 /nfs/dbraw/zinc/74/11/95/584741195.db2.gz UDAZZPVCYSWMMR-DEQVHRJGSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC000903300687 584744178 /nfs/dbraw/zinc/74/41/78/584744178.db2.gz LFVNRJNAQFLUTL-JHJVBQTASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000903300687 584744179 /nfs/dbraw/zinc/74/41/79/584744179.db2.gz LFVNRJNAQFLUTL-JHJVBQTASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1C ZINC000903300687 584744181 /nfs/dbraw/zinc/74/41/81/584744181.db2.gz LFVNRJNAQFLUTL-JHJVBQTASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCN1C ZINC000903300687 584744182 /nfs/dbraw/zinc/74/41/82/584744182.db2.gz LFVNRJNAQFLUTL-JHJVBQTASA-N 2 1 239.407 1.541 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCN1C ZINC000903300687 584744183 /nfs/dbraw/zinc/74/41/83/584744183.db2.gz LFVNRJNAQFLUTL-JHJVBQTASA-N 2 1 239.407 1.541 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000903352080 584755320 /nfs/dbraw/zinc/75/53/20/584755320.db2.gz QNUBIRPFSHOIFK-MELADBBJSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000903352080 584755321 /nfs/dbraw/zinc/75/53/21/584755321.db2.gz QNUBIRPFSHOIFK-MELADBBJSA-N 2 1 248.374 1.383 20 0 BDADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)on1 ZINC000903430891 584761370 /nfs/dbraw/zinc/76/13/70/584761370.db2.gz GSTVGAKAUQCIBC-WXHSDQCUSA-N 2 1 249.358 1.975 20 0 BDADMP Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)on1 ZINC000903430891 584761371 /nfs/dbraw/zinc/76/13/71/584761371.db2.gz GSTVGAKAUQCIBC-WXHSDQCUSA-N 2 1 249.358 1.975 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430822 584761677 /nfs/dbraw/zinc/76/16/77/584761677.db2.gz CXKSJPHGKWQURH-AGIUHOORSA-N 2 1 226.364 1.200 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903421123 584763573 /nfs/dbraw/zinc/76/35/73/584763573.db2.gz QGIYNSYKNCRMQB-CQSZACIVSA-N 2 1 248.374 1.557 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441490 584764023 /nfs/dbraw/zinc/76/40/23/584764023.db2.gz USVTZVYEAUNTRU-RDBSUJKOSA-N 2 1 240.391 1.589 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903422342 584764597 /nfs/dbraw/zinc/76/45/97/584764597.db2.gz YZNXESREWWWVGL-YFKTTZPYSA-N 2 1 244.329 1.948 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C(C)C ZINC000903459274 584766179 /nfs/dbraw/zinc/76/61/79/584766179.db2.gz FTXNQURCJJPIJF-ZIAGYGMSSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464939 584767274 /nfs/dbraw/zinc/76/72/74/584767274.db2.gz ZWKZIOGTECERQO-MROQNXINSA-N 2 1 208.349 1.846 20 0 BDADMP CC[N@@H+](Cc1cnn(C)c1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442038 584767570 /nfs/dbraw/zinc/76/75/70/584767570.db2.gz GYWQVCHYTGKNCK-YPMHNXCESA-N 2 1 236.363 1.098 20 0 BDADMP CC[N@H+](Cc1cnn(C)c1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903442038 584767572 /nfs/dbraw/zinc/76/75/72/584767572.db2.gz GYWQVCHYTGKNCK-YPMHNXCESA-N 2 1 236.363 1.098 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903444729 584769728 /nfs/dbraw/zinc/76/97/28/584769728.db2.gz VMXGHARJWKZLER-RFGFWPKPSA-N 2 1 239.407 1.256 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000903444251 584769762 /nfs/dbraw/zinc/76/97/62/584769762.db2.gz QYTHUZANOOOYMO-MQYQWHSLSA-N 2 1 239.407 1.528 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000903444251 584769763 /nfs/dbraw/zinc/76/97/63/584769763.db2.gz QYTHUZANOOOYMO-MQYQWHSLSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000903444251 584769764 /nfs/dbraw/zinc/76/97/64/584769764.db2.gz QYTHUZANOOOYMO-MQYQWHSLSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1C ZINC000903444251 584769765 /nfs/dbraw/zinc/76/97/65/584769765.db2.gz QYTHUZANOOOYMO-MQYQWHSLSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC[NH+]1C ZINC000903444251 584769766 /nfs/dbraw/zinc/76/97/66/584769766.db2.gz QYTHUZANOOOYMO-MQYQWHSLSA-N 3 1 239.407 1.528 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453093 584772730 /nfs/dbraw/zinc/77/27/30/584772730.db2.gz ZBMBXEISQQMUOC-USZNOCQGSA-N 2 1 244.329 1.948 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903453720 584772823 /nfs/dbraw/zinc/77/28/23/584772823.db2.gz JRQYZUMSUZHEPW-MJBXVCDLSA-N 3 1 237.391 1.189 20 0 BDADMP CCN1C[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000903455336 584773937 /nfs/dbraw/zinc/77/39/37/584773937.db2.gz UPTDOFRXUZZLCS-DGAVXFQQSA-N 2 1 239.407 1.528 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455538 584774284 /nfs/dbraw/zinc/77/42/84/584774284.db2.gz ZEDDBFPAENQCFB-GRYCIOLGSA-N 2 1 240.347 1.141 20 0 BDADMP CCSCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903467353 584774564 /nfs/dbraw/zinc/77/45/64/584774564.db2.gz AJPKPUPAUPUIOW-SNVBAGLBSA-N 2 1 214.378 1.614 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000903471783 584775146 /nfs/dbraw/zinc/77/51/46/584775146.db2.gz MOVQDVKZZNGDOY-CHWSQXEVSA-N 2 1 238.375 1.676 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000903476077 584777031 /nfs/dbraw/zinc/77/70/31/584777031.db2.gz MTELHJZPJZXFFH-IJLUTSLNSA-N 2 1 226.389 1.423 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000903476077 584777032 /nfs/dbraw/zinc/77/70/32/584777032.db2.gz MTELHJZPJZXFFH-IJLUTSLNSA-N 2 1 226.389 1.423 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000903482263 584778975 /nfs/dbraw/zinc/77/89/75/584778975.db2.gz ZZAGENQZFAOHGW-OLZOCXBDSA-N 2 1 240.391 1.922 20 0 BDADMP c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)nc1 ZINC000903484175 584779640 /nfs/dbraw/zinc/77/96/40/584779640.db2.gz OXOIMEAJQNUOPO-CQSZACIVSA-N 2 1 245.370 1.888 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)C[C@H]1CC[NH3+] ZINC000903499104 584780068 /nfs/dbraw/zinc/78/00/68/584780068.db2.gz FZOYTGXCDJGUPQ-ZYHUDNBSSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnc2N)C[C@H]1CC[NH3+] ZINC000903498543 584780141 /nfs/dbraw/zinc/78/01/41/584780141.db2.gz JVLYKCZQFRKGAQ-GHMZBOCLSA-N 2 1 234.347 1.081 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nc(C)n1 ZINC000903498342 584780161 /nfs/dbraw/zinc/78/01/61/584780161.db2.gz DTUUFONCSUMAPZ-ZWNOBZJWSA-N 2 1 248.374 1.510 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCCCOC ZINC000903528407 584781727 /nfs/dbraw/zinc/78/17/27/584781727.db2.gz KRZFGRPLFPBQCD-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCCCOC ZINC000903528407 584781728 /nfs/dbraw/zinc/78/17/28/584781728.db2.gz KRZFGRPLFPBQCD-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP CC(C)(C)OC[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903563676 584782009 /nfs/dbraw/zinc/78/20/09/584782009.db2.gz IOEFPVSRINWHQK-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1ccc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000903564449 584782312 /nfs/dbraw/zinc/78/23/12/584782312.db2.gz VESXEJAJHDNAAO-STQMWFEESA-N 2 1 248.374 1.209 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1N ZINC000903558877 584783154 /nfs/dbraw/zinc/78/31/54/584783154.db2.gz SFSKPGPOTJFZLK-VXGBXAGGSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)CN(CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903558877 584783156 /nfs/dbraw/zinc/78/31/56/584783156.db2.gz SFSKPGPOTJFZLK-VXGBXAGGSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903558877 584783157 /nfs/dbraw/zinc/78/31/57/584783157.db2.gz SFSKPGPOTJFZLK-VXGBXAGGSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903558877 584783159 /nfs/dbraw/zinc/78/31/59/584783159.db2.gz SFSKPGPOTJFZLK-VXGBXAGGSA-N 3 1 225.380 1.045 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903717060 584792105 /nfs/dbraw/zinc/79/21/05/584792105.db2.gz YNWNSPQICOTZGU-LLVKDONJSA-N 2 1 222.307 1.937 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903717550 584792420 /nfs/dbraw/zinc/79/24/20/584792420.db2.gz ROUROUUMKJIFMA-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903727360 584792997 /nfs/dbraw/zinc/79/29/97/584792997.db2.gz SWBSTAGQSPXHFG-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903749901 584794807 /nfs/dbraw/zinc/79/48/07/584794807.db2.gz RWIYYNXHZFERBV-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903749901 584794808 /nfs/dbraw/zinc/79/48/08/584794808.db2.gz RWIYYNXHZFERBV-KBPBESRZSA-N 3 1 239.407 1.579 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC000903752954 584796213 /nfs/dbraw/zinc/79/62/13/584796213.db2.gz QOHGOCJTIZQGFG-CHWSQXEVSA-N 3 1 239.407 1.354 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903763451 584797171 /nfs/dbraw/zinc/79/71/71/584797171.db2.gz KAHQFSZNWMAPRL-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1cc(C)nc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000903783240 584799991 /nfs/dbraw/zinc/79/99/91/584799991.db2.gz WRPIHDNAKRRFDC-STQMWFEESA-N 2 1 233.359 1.914 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903831912 584806163 /nfs/dbraw/zinc/80/61/63/584806163.db2.gz NQZKZBXFYYKXME-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCSC[C@@H]1C ZINC000903832869 584806340 /nfs/dbraw/zinc/80/63/40/584806340.db2.gz SDSMDSTYSMQLCE-WOPDTQHZSA-N 2 1 228.405 1.669 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000903843609 584807642 /nfs/dbraw/zinc/80/76/42/584807642.db2.gz OKMPBCPDQWNQJT-MJBXVCDLSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000903849822 584808331 /nfs/dbraw/zinc/80/83/31/584808331.db2.gz HQMWCGQVKZYJFB-ZIAGYGMSSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000903849822 584808332 /nfs/dbraw/zinc/80/83/32/584808332.db2.gz HQMWCGQVKZYJFB-ZIAGYGMSSA-N 2 1 216.328 2.000 20 0 BDADMP CCOCCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857983 584809978 /nfs/dbraw/zinc/80/99/78/584809978.db2.gz XDBTYOVOZABXMR-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857983 584809980 /nfs/dbraw/zinc/80/99/80/584809980.db2.gz XDBTYOVOZABXMR-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000903857945 584809992 /nfs/dbraw/zinc/80/99/92/584809992.db2.gz GXKZYHDUBMWFCZ-MELADBBJSA-N 2 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000903857945 584809993 /nfs/dbraw/zinc/80/99/93/584809993.db2.gz GXKZYHDUBMWFCZ-MELADBBJSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000903857945 584809995 /nfs/dbraw/zinc/80/99/95/584809995.db2.gz GXKZYHDUBMWFCZ-MELADBBJSA-N 3 1 237.391 1.189 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCC1CCC1 ZINC000903858189 584810233 /nfs/dbraw/zinc/81/02/33/584810233.db2.gz HLTSVVLVLCCKOH-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCC1CCC1 ZINC000903858189 584810234 /nfs/dbraw/zinc/81/02/34/584810234.db2.gz HLTSVVLVLCCKOH-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCCCO1 ZINC000903861167 584811964 /nfs/dbraw/zinc/81/19/64/584811964.db2.gz WAKYMPGFNSXWEO-FRRDWIJNSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCCCO1 ZINC000903861167 584811965 /nfs/dbraw/zinc/81/19/65/584811965.db2.gz WAKYMPGFNSXWEO-FRRDWIJNSA-N 2 1 224.348 1.369 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])C(C)C ZINC000903863648 584813135 /nfs/dbraw/zinc/81/31/35/584813135.db2.gz NZLZAYBDRCBPDP-MJBXVCDLSA-N 2 1 240.391 1.718 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])C(C)C ZINC000903863648 584813137 /nfs/dbraw/zinc/81/31/37/584813137.db2.gz NZLZAYBDRCBPDP-MJBXVCDLSA-N 2 1 240.391 1.718 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C(C)C ZINC000903869270 584814613 /nfs/dbraw/zinc/81/46/13/584814613.db2.gz FTKWEVVAULZXBN-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+](CCO)C1CCCC1 ZINC000903872025 584815089 /nfs/dbraw/zinc/81/50/89/584815089.db2.gz AXGYEEOVFUYLLA-SECBINFHSA-N 2 1 236.306 1.206 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872182 584815404 /nfs/dbraw/zinc/81/54/04/584815404.db2.gz WXZRITUJMLRAAM-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP C[NH2+]C1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903873805 584815890 /nfs/dbraw/zinc/81/58/90/584815890.db2.gz MFRFXWMNQYOUIT-QXMXGUDHSA-N 2 1 237.391 1.201 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873523 584815910 /nfs/dbraw/zinc/81/59/10/584815910.db2.gz JBWFXBXASMWHBN-GSPSYOTPSA-N 3 1 237.391 1.201 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873523 584815911 /nfs/dbraw/zinc/81/59/11/584815911.db2.gz JBWFXBXASMWHBN-GSPSYOTPSA-N 2 1 237.391 1.201 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@H]([NH3+])CC(F)F ZINC000903903561 584821334 /nfs/dbraw/zinc/82/13/34/584821334.db2.gz VRDYRVXZDFZBCC-MNOVXSKESA-N 2 1 249.349 1.241 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903918611 584822369 /nfs/dbraw/zinc/82/23/69/584822369.db2.gz CQCGSQJZZWKEQF-IUCAKERBSA-N 3 1 223.311 1.076 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CC(F)F ZINC000903930515 584824964 /nfs/dbraw/zinc/82/49/64/584824964.db2.gz ZFEHXYCSCBBOFT-IMSYWVGJSA-N 2 1 218.291 1.747 20 0 BDADMP Nc1cccc(C[NH2+]C[C@@H]([NH3+])CC(F)F)c1 ZINC000903933845 584825276 /nfs/dbraw/zinc/82/52/76/584825276.db2.gz WUQXPVXRTNCNII-JTQLQIEISA-N 2 1 229.274 1.341 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000903934420 584825756 /nfs/dbraw/zinc/82/57/56/584825756.db2.gz GUPQGTSLGDGGEW-RKFYDKJMSA-N 3 1 237.391 1.247 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917484 584827200 /nfs/dbraw/zinc/82/72/00/584827200.db2.gz MGYKLTRFZDTFHM-GSPSYOTPSA-N 3 1 239.407 1.624 20 0 BDADMP [NH3+]CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000903947776 584829303 /nfs/dbraw/zinc/82/93/03/584829303.db2.gz HPFCHXZIURTCJU-CHWSQXEVSA-N 2 1 222.307 1.950 20 0 BDADMP CC(C)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972419 584832619 /nfs/dbraw/zinc/83/26/19/584832619.db2.gz IHPGQEVOGBFCJE-LBPRGKRZSA-N 2 1 226.364 1.391 20 0 BDADMP CC[C@H]1C[C@H](C[N@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000903984670 584835668 /nfs/dbraw/zinc/83/56/68/584835668.db2.gz QSUKYNCTVXFONZ-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904299706 584860458 /nfs/dbraw/zinc/86/04/58/584860458.db2.gz MDDHFADAUOGDAY-IUODEOHRSA-N 3 1 247.386 1.705 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904300828 584861080 /nfs/dbraw/zinc/86/10/80/584861080.db2.gz BURZKLFXYDKOCF-RWMBFGLXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904300828 584861081 /nfs/dbraw/zinc/86/10/81/584861081.db2.gz BURZKLFXYDKOCF-RWMBFGLXSA-N 3 1 225.380 1.045 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904302055 584862132 /nfs/dbraw/zinc/86/21/32/584862132.db2.gz UKGMLMLWAAYOAT-HUUCEWRRSA-N 3 1 247.386 1.705 20 0 BDADMP CC[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000904302055 584862133 /nfs/dbraw/zinc/86/21/33/584862133.db2.gz UKGMLMLWAAYOAT-HUUCEWRRSA-N 2 1 247.386 1.705 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904310019 584862440 /nfs/dbraw/zinc/86/24/40/584862440.db2.gz UVZBZHNELGPPLF-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1CO ZINC000904312032 584862455 /nfs/dbraw/zinc/86/24/55/584862455.db2.gz DRTJHBLPIGXIJA-NWDGAFQWSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CO ZINC000904312032 584862457 /nfs/dbraw/zinc/86/24/57/584862457.db2.gz DRTJHBLPIGXIJA-NWDGAFQWSA-N 2 1 228.380 1.597 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccccn2)C1 ZINC000904309890 584862802 /nfs/dbraw/zinc/86/28/02/584862802.db2.gz SCGOBIJADBFOIL-MBNYWOFBSA-N 2 1 231.343 1.956 20 0 BDADMP C[C@]1(C[N@@H+](CCCCO)C2CC2)CCC[NH2+]C1 ZINC000904321377 584864111 /nfs/dbraw/zinc/86/41/11/584864111.db2.gz YDZWOXLVLCHIGV-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](CCO)c1ccccc1 ZINC000904321908 584864401 /nfs/dbraw/zinc/86/44/01/584864401.db2.gz KBRLBHAGMOGITJ-CFVMTHIKSA-N 2 1 248.370 1.779 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccccc3[C@H]2CO)C1 ZINC000904322303 584864854 /nfs/dbraw/zinc/86/48/54/584864854.db2.gz VXGJNXBLERISIA-OSAQELSMSA-N 2 1 246.354 1.315 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329903 584866057 /nfs/dbraw/zinc/86/60/57/584866057.db2.gz UEWJOSHXBBIFDP-UTUOFQBUSA-N 2 1 219.332 1.812 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904334350 584866520 /nfs/dbraw/zinc/86/65/20/584866520.db2.gz UEWSJCKFBWYEGE-AWEZNQCLSA-N 3 1 247.386 1.706 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C2CC2)O1 ZINC000904342342 584867151 /nfs/dbraw/zinc/86/71/51/584867151.db2.gz DQYVGDGOYRRUQZ-AAXDQBDMSA-N 2 1 224.348 1.223 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](C3CCOCC3)C2)C1 ZINC000904342321 584867236 /nfs/dbraw/zinc/86/72/36/584867236.db2.gz CXFUOFFTRBEXCP-FPMFFAJLSA-N 2 1 238.375 1.472 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOCC3(CCCC3)C2)C1 ZINC000904345961 584868554 /nfs/dbraw/zinc/86/85/54/584868554.db2.gz NEYYOJXWWMYBST-BETUJISGSA-N 2 1 238.375 1.616 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000904352845 584870032 /nfs/dbraw/zinc/87/00/32/584870032.db2.gz DHHQEWLIKQDRAG-UHFFFAOYSA-N 2 1 249.358 1.088 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](N)CCC(C)(C)C ZINC000904355646 584871179 /nfs/dbraw/zinc/87/11/79/584871179.db2.gz VMQWGJAUVVYOFF-RYUDHWBXSA-N 2 1 229.412 1.857 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000904356716 584871357 /nfs/dbraw/zinc/87/13/57/584871357.db2.gz YLFVALPOIQRVLH-QWRGUYRKSA-N 2 1 234.347 1.578 20 0 BDADMP NC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904373055 584873940 /nfs/dbraw/zinc/87/39/40/584873940.db2.gz AJDYULMDXZLKDX-OSAQELSMSA-N 2 1 245.370 1.282 20 0 BDADMP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904373055 584873941 /nfs/dbraw/zinc/87/39/41/584873941.db2.gz AJDYULMDXZLKDX-OSAQELSMSA-N 2 1 245.370 1.282 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000904373817 584874165 /nfs/dbraw/zinc/87/41/65/584874165.db2.gz KNNALCUHPVZXOL-UWVGGRQHSA-N 2 1 222.336 1.433 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1C[C@@H]([NH3+])C1 ZINC000904383816 584877057 /nfs/dbraw/zinc/87/70/57/584877057.db2.gz DZRKOAJVIDNBIA-TXEJJXNPSA-N 3 1 213.369 1.175 20 0 BDADMP COc1cccc2c1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904381930 584877184 /nfs/dbraw/zinc/87/71/84/584877184.db2.gz YGNFHHGTBHWOTN-KLPPZKSPSA-N 2 1 232.327 1.748 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)C1 ZINC000904385334 584877975 /nfs/dbraw/zinc/87/79/75/584877975.db2.gz VQDGRUBBFHWAKV-WYUUTHIRSA-N 2 1 226.389 1.409 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000904385693 584878044 /nfs/dbraw/zinc/87/80/44/584878044.db2.gz BTIUWVKLSAPSCT-HZSPNIEDSA-N 3 1 237.391 1.189 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406274 584878465 /nfs/dbraw/zinc/87/84/65/584878465.db2.gz DRSJHKIMPNWPNL-QWHCGFSZSA-N 3 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@H](CC[NH3+])C1 ZINC000904406274 584878466 /nfs/dbraw/zinc/87/84/66/584878466.db2.gz DRSJHKIMPNWPNL-QWHCGFSZSA-N 2 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@@H](N)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406274 584878467 /nfs/dbraw/zinc/87/84/67/584878467.db2.gz DRSJHKIMPNWPNL-QWHCGFSZSA-N 2 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@@H](N)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406274 584878468 /nfs/dbraw/zinc/87/84/68/584878468.db2.gz DRSJHKIMPNWPNL-QWHCGFSZSA-N 2 1 241.423 1.811 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@@H]1C[NH3+] ZINC000904410288 584879264 /nfs/dbraw/zinc/87/92/64/584879264.db2.gz OACHMORCFNDFGG-RKDXNWHRSA-N 2 1 240.376 1.142 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cocn2)CC[C@H]1C[NH3+] ZINC000904411972 584879476 /nfs/dbraw/zinc/87/94/76/584879476.db2.gz YKDQRANDJBWHCO-ZJUUUORDSA-N 2 1 209.293 1.091 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412403 584879560 /nfs/dbraw/zinc/87/95/60/584879560.db2.gz VHSVDSQSNCJDTO-KOLCDFICSA-N 2 1 239.388 1.868 20 0 BDADMP CCn1ccnc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412673 584879605 /nfs/dbraw/zinc/87/96/05/584879605.db2.gz WBSWLOUWKMDOSK-NWDGAFQWSA-N 2 1 236.363 1.320 20 0 BDADMP Cc1ncsc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420528 584882109 /nfs/dbraw/zinc/88/21/09/584882109.db2.gz RQROOMDXWUQLGW-WDEREUQCSA-N 2 1 237.372 1.493 20 0 BDADMP Cc1ncsc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420528 584882111 /nfs/dbraw/zinc/88/21/11/584882111.db2.gz RQROOMDXWUQLGW-WDEREUQCSA-N 2 1 237.372 1.493 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420508 584882241 /nfs/dbraw/zinc/88/22/41/584882241.db2.gz RBEIZCVXEMCOCY-GRYCIOLGSA-N 2 1 226.389 1.281 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H](O)c1ccsc1 ZINC000841095863 584884916 /nfs/dbraw/zinc/88/49/16/584884916.db2.gz PKGZSNHVEPKTLT-VXGBXAGGSA-N 2 1 242.388 1.745 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)C2CC2)CC1 ZINC000838969433 585082982 /nfs/dbraw/zinc/08/29/82/585082982.db2.gz XTWVLXZLTDSGHB-CHWSQXEVSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000886839583 585182823 /nfs/dbraw/zinc/18/28/23/585182823.db2.gz HWYKUZDCSAPKRT-UPJWGTAASA-N 2 1 240.391 1.907 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCO)CC[N@@H+]1C ZINC000750185877 585212089 /nfs/dbraw/zinc/21/20/89/585212089.db2.gz UEDCAOYBAVVNSU-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCO)CC[N@H+]1C ZINC000750185877 585212090 /nfs/dbraw/zinc/21/20/90/585212090.db2.gz UEDCAOYBAVVNSU-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCCO)CC[NH+]1C ZINC000750185877 585212091 /nfs/dbraw/zinc/21/20/91/585212091.db2.gz UEDCAOYBAVVNSU-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCCO)CC[NH+]1C ZINC000750185877 585212092 /nfs/dbraw/zinc/21/20/92/585212092.db2.gz UEDCAOYBAVVNSU-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CCc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n[nH]1 ZINC000754792411 585290991 /nfs/dbraw/zinc/29/09/91/585290991.db2.gz BIQFDCHDRGOIGF-TZMCWYRMSA-N 2 1 248.374 1.689 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000839659410 585333762 /nfs/dbraw/zinc/33/37/62/585333762.db2.gz CTDRAHVYPKYSPK-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000839659410 585333763 /nfs/dbraw/zinc/33/37/63/585333763.db2.gz CTDRAHVYPKYSPK-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CN1CCN(CCF)CC1 ZINC000759346475 585370087 /nfs/dbraw/zinc/37/00/87/585370087.db2.gz IQMIWAZPCCYIRC-CYBMUJFWSA-N 2 1 243.370 1.058 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)C2CC2)CCN1C ZINC000767414203 585519485 /nfs/dbraw/zinc/51/94/85/585519485.db2.gz IVMKQAIKNSPVMA-WCQYABFASA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000779339790 585751476 /nfs/dbraw/zinc/75/14/76/585751476.db2.gz FCIBATHNCVSOFC-TZMCWYRMSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000779341648 585751762 /nfs/dbraw/zinc/75/17/62/585751762.db2.gz NYNXDXYXGKTALW-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000779341648 585751763 /nfs/dbraw/zinc/75/17/63/585751763.db2.gz NYNXDXYXGKTALW-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)CCO)[NH+]1CCCC1 ZINC000779344273 585752218 /nfs/dbraw/zinc/75/22/18/585752218.db2.gz UPGYTCFARHABQH-VXGBXAGGSA-N 2 1 214.353 1.221 20 0 BDADMP Cc1cc(N2CCC[C@H](C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000780535515 585780232 /nfs/dbraw/zinc/78/02/32/585780232.db2.gz GYTBRQAHISPUIT-CYBMUJFWSA-N 2 1 248.374 1.871 20 0 BDADMP COC[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788484018 585925461 /nfs/dbraw/zinc/92/54/61/585925461.db2.gz UQOJIVGLJMXITK-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP Cc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)n(C)n1 ZINC000793525692 586021608 /nfs/dbraw/zinc/02/16/08/586021608.db2.gz JPGQXLMLUADHCK-CMPLNLGQSA-N 2 1 238.379 1.719 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCC=CO1 ZINC000809766382 586518263 /nfs/dbraw/zinc/51/82/63/586518263.db2.gz XHWAHMLBQUSTEE-MGPQQGTHSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCC=CO1 ZINC000809766382 586518264 /nfs/dbraw/zinc/51/82/64/586518264.db2.gz XHWAHMLBQUSTEE-MGPQQGTHSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@H]1CCC=CO1 ZINC000809766382 586518265 /nfs/dbraw/zinc/51/82/65/586518265.db2.gz XHWAHMLBQUSTEE-MGPQQGTHSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@H]1CCC=CO1 ZINC000809766382 586518266 /nfs/dbraw/zinc/51/82/66/586518266.db2.gz XHWAHMLBQUSTEE-MGPQQGTHSA-N 2 1 238.375 1.951 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325730 586600257 /nfs/dbraw/zinc/60/02/57/586600257.db2.gz JSQOUWZVMVPRBV-NWDGAFQWSA-N 2 1 249.358 1.780 20 0 BDADMP C[C@H](CNc1nc(N(C)C)cc[nH+]1)C[NH+](C)C ZINC000813614852 586604482 /nfs/dbraw/zinc/60/44/82/586604482.db2.gz MELFUJCCLIGVMQ-SNVBAGLBSA-N 2 1 237.351 1.152 20 0 BDADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817888941 586831821 /nfs/dbraw/zinc/83/18/21/586831821.db2.gz LZSNYQAYZSWOGH-MELADBBJSA-N 2 1 234.343 1.498 20 0 BDADMP CS[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000817897163 586834514 /nfs/dbraw/zinc/83/45/14/586834514.db2.gz GJTQOTPHOZWMPD-YFKTTZPYSA-N 2 1 228.405 1.858 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817906305 586837356 /nfs/dbraw/zinc/83/73/56/586837356.db2.gz WZUBDSUIBDIQOR-WDEREUQCSA-N 2 1 237.347 1.552 20 0 BDADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000817910073 586838006 /nfs/dbraw/zinc/83/80/06/586838006.db2.gz JGVHVFWYNXTZTL-HZSPNIEDSA-N 2 1 234.343 1.498 20 0 BDADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000817910072 586838013 /nfs/dbraw/zinc/83/80/13/586838013.db2.gz JGVHVFWYNXTZTL-BFHYXJOUSA-N 2 1 234.343 1.498 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000817913654 586838926 /nfs/dbraw/zinc/83/89/26/586838926.db2.gz PNMXYOWBRRLMLB-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1CCCN1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817913654 586838927 /nfs/dbraw/zinc/83/89/27/586838927.db2.gz PNMXYOWBRRLMLB-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000817914724 586839109 /nfs/dbraw/zinc/83/91/09/586839109.db2.gz YGNRHIPSVMYXOI-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000817914724 586839110 /nfs/dbraw/zinc/83/91/10/586839110.db2.gz YGNRHIPSVMYXOI-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000817913827 586839346 /nfs/dbraw/zinc/83/93/46/586839346.db2.gz MFJLOUKNYDGELK-LOWVWBTDSA-N 2 1 222.332 1.941 20 0 BDADMP C[C@]1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1(Cl)Cl ZINC000827457979 587381671 /nfs/dbraw/zinc/38/16/71/587381671.db2.gz NFTMKZOODURWOB-KXUCPTDWSA-N 2 1 249.185 1.722 20 0 BDADMP C[C@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1(Cl)Cl ZINC000827457979 587381673 /nfs/dbraw/zinc/38/16/73/587381673.db2.gz NFTMKZOODURWOB-KXUCPTDWSA-N 2 1 249.185 1.722 20 0 BDADMP CC[C@H]1C[N@@H+](CC)CCN1CC[NH+]1CCCC1 ZINC000831964686 587640133 /nfs/dbraw/zinc/64/01/33/587640133.db2.gz FQUZHTAUHHBUIO-AWEZNQCLSA-N 2 1 239.407 1.498 20 0 BDADMP CN(C)c1cc(NC(=O)C[C@@H]([NH3+])C2CC2)cc[nH+]1 ZINC000832008347 587642560 /nfs/dbraw/zinc/64/25/60/587642560.db2.gz BSGHWPPMSIFFCG-LLVKDONJSA-N 2 1 248.330 1.214 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000841064241 587941791 /nfs/dbraw/zinc/94/17/91/587941791.db2.gz WMOUCGVDLBJMAI-JSGCOSHPSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCCCCO ZINC000842476344 588028255 /nfs/dbraw/zinc/02/82/55/588028255.db2.gz MCCVOGAXSVVVNA-UPJWGTAASA-N 2 1 228.380 1.515 20 0 BDADMP C[C@H]1C[N@H+](CCCCCCC[NH3+])CCN1 ZINC000842473660 588029516 /nfs/dbraw/zinc/02/95/16/588029516.db2.gz UDCWCZVWRIRNFH-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CCN1 ZINC000842473660 588029517 /nfs/dbraw/zinc/02/95/17/588029517.db2.gz UDCWCZVWRIRNFH-LBPRGKRZSA-N 2 1 213.369 1.189 20 0 BDADMP CC[NH+](CC)Cc1nc([C@H](C)C[NH2+]C)no1 ZINC000842580810 588043813 /nfs/dbraw/zinc/04/38/13/588043813.db2.gz AXWKKVVKUHWPQM-SECBINFHSA-N 2 1 226.324 1.234 20 0 BDADMP CCC[N@H+](C)Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842667248 588050956 /nfs/dbraw/zinc/05/09/56/588050956.db2.gz JPTBFXCGPIJPNX-SNVBAGLBSA-N 2 1 238.335 1.378 20 0 BDADMP CCC[N@@H+](C)Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842667248 588050958 /nfs/dbraw/zinc/05/09/58/588050958.db2.gz JPTBFXCGPIJPNX-SNVBAGLBSA-N 2 1 238.335 1.378 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843055918 588077557 /nfs/dbraw/zinc/07/75/57/588077557.db2.gz RYBHDTVYCJLTPX-PNESKVBLSA-N 3 1 225.380 1.188 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000843345359 588102090 /nfs/dbraw/zinc/10/20/90/588102090.db2.gz CLLATUSVTPGHTH-GFCCVEGCSA-N 3 1 213.369 1.319 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000843345359 588102092 /nfs/dbraw/zinc/10/20/92/588102092.db2.gz CLLATUSVTPGHTH-GFCCVEGCSA-N 3 1 213.369 1.319 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843349266 588102445 /nfs/dbraw/zinc/10/24/45/588102445.db2.gz QBRXOKBRJRSHTL-CYBMUJFWSA-N 3 1 227.396 1.437 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843348333 588102520 /nfs/dbraw/zinc/10/25/20/588102520.db2.gz JWYWTZMZWJFRNJ-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP CCCOC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000843348901 588102654 /nfs/dbraw/zinc/10/26/54/588102654.db2.gz XHZHQROGLKMMBN-MNOVXSKESA-N 2 1 242.363 1.387 20 0 BDADMP CCCCOC(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000843356151 588103220 /nfs/dbraw/zinc/10/32/20/588103220.db2.gz RUUGOEXKOFOUSL-CYBMUJFWSA-N 2 1 242.363 1.437 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])C1CC([NH3+])C1 ZINC000843387399 588105552 /nfs/dbraw/zinc/10/55/52/588105552.db2.gz HBCXZRVMXFYZFB-UHFFFAOYSA-N 2 1 213.369 1.317 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000845996416 588252966 /nfs/dbraw/zinc/25/29/66/588252966.db2.gz OHRQDSBRUAQFSA-CQSZACIVSA-N 2 1 242.407 1.981 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000846217177 588260348 /nfs/dbraw/zinc/26/03/48/588260348.db2.gz CAMGDFZQSQNDID-SWLSCSKDSA-N 2 1 248.370 1.576 20 0 BDADMP C[C@H]1CCC[N@@H+](CCCCCC[NH3+])[C@H]1CN ZINC000846217430 588260518 /nfs/dbraw/zinc/26/05/18/588260518.db2.gz HJKAKZBOKBPDHZ-STQMWFEESA-N 2 1 227.396 1.565 20 0 BDADMP C[C@H]1CCCN(CCCCCC[NH3+])[C@H]1C[NH3+] ZINC000846217430 588260519 /nfs/dbraw/zinc/26/05/19/588260519.db2.gz HJKAKZBOKBPDHZ-STQMWFEESA-N 2 1 227.396 1.565 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218204 588260797 /nfs/dbraw/zinc/26/07/97/588260797.db2.gz UIKOLWMQXUZTHQ-LBPRGKRZSA-N 3 1 213.369 1.047 20 0 BDADMP CC[C@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1[NH3+] ZINC000846220808 588261113 /nfs/dbraw/zinc/26/11/13/588261113.db2.gz VFBBNUKNPVROSP-QWHCGFSZSA-N 2 1 227.396 1.565 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000846222156 588261145 /nfs/dbraw/zinc/26/11/45/588261145.db2.gz AVZLVOPSMCESFP-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000846222156 588261146 /nfs/dbraw/zinc/26/11/46/588261146.db2.gz AVZLVOPSMCESFP-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCCC[NH3+] ZINC000846220501 588261222 /nfs/dbraw/zinc/26/12/22/588261222.db2.gz RLARHIFASYOUIX-NEPJUHHUSA-N 2 1 213.369 1.175 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCCCC[NH3+] ZINC000846221139 588261347 /nfs/dbraw/zinc/26/13/47/588261347.db2.gz SXWYVLWIIKEKJB-NSHDSACASA-N 3 1 215.385 1.469 20 0 BDADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCF)C1 ZINC000846227759 588261915 /nfs/dbraw/zinc/26/19/15/588261915.db2.gz HDUNOFSXQZXOKI-GRYCIOLGSA-N 2 1 230.327 1.317 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848987025 588426200 /nfs/dbraw/zinc/42/62/00/588426200.db2.gz GIFSMUSIVZLZDY-RYUDHWBXSA-N 2 1 240.395 1.772 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987026 588426288 /nfs/dbraw/zinc/42/62/88/588426288.db2.gz GIFSMUSIVZLZDY-VXGBXAGGSA-N 2 1 240.395 1.772 20 0 BDADMP CNC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000848989805 588426733 /nfs/dbraw/zinc/42/67/33/588426733.db2.gz BXIYNBOWXNUIBF-LLVKDONJSA-N 2 1 226.368 1.242 20 0 BDADMP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+](C)C ZINC000848996650 588429680 /nfs/dbraw/zinc/42/96/80/588429680.db2.gz MKFKFCOKFFWKKJ-LBPRGKRZSA-N 2 1 248.374 1.293 20 0 BDADMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000848999915 588430448 /nfs/dbraw/zinc/43/04/48/588430448.db2.gz JGBUZVQQSPMEMJ-NSHDSACASA-N 2 1 249.362 1.448 20 0 BDADMP Cc1cccc(NC(=[NH2+])NCC[NH+]2CCC2)c1 ZINC000849014712 588436210 /nfs/dbraw/zinc/43/62/10/588436210.db2.gz UJWZIUDMHXFDAT-UHFFFAOYSA-N 2 1 232.331 1.637 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])NC(C)C ZINC000849046568 588450260 /nfs/dbraw/zinc/45/02/60/588450260.db2.gz JBIUFHIYVWRIDF-UHFFFAOYSA-N 2 1 228.384 1.487 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000851781866 588627916 /nfs/dbraw/zinc/62/79/16/588627916.db2.gz HCNCGPOBAKHPQP-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000851781866 588627917 /nfs/dbraw/zinc/62/79/17/588627917.db2.gz HCNCGPOBAKHPQP-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000851781866 588627918 /nfs/dbraw/zinc/62/79/18/588627918.db2.gz HCNCGPOBAKHPQP-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000851781866 588627919 /nfs/dbraw/zinc/62/79/19/588627919.db2.gz HCNCGPOBAKHPQP-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP COC(CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000851796883 588629592 /nfs/dbraw/zinc/62/95/92/588629592.db2.gz LUIBMBBUEVGKAF-NEPJUHHUSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000851796883 588629593 /nfs/dbraw/zinc/62/95/93/588629593.db2.gz LUIBMBBUEVGKAF-NEPJUHHUSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000851796883 588629594 /nfs/dbraw/zinc/62/95/94/588629594.db2.gz LUIBMBBUEVGKAF-NEPJUHHUSA-N 2 1 244.379 1.410 20 0 BDADMP COC(CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000851796883 588629595 /nfs/dbraw/zinc/62/95/95/588629595.db2.gz LUIBMBBUEVGKAF-NEPJUHHUSA-N 2 1 244.379 1.410 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOC(F)F ZINC000852740702 588698690 /nfs/dbraw/zinc/69/86/90/588698690.db2.gz KGRRBEZGLHAADZ-VIFPVBQESA-N 2 1 224.295 1.531 20 0 BDADMP Cc1c(F)nccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000862274092 589197967 /nfs/dbraw/zinc/19/79/67/589197967.db2.gz FCRJWPUUXRGDFS-JTQLQIEISA-N 2 1 239.338 1.959 20 0 BDADMP NC(=[NH2+])NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000864357989 589355547 /nfs/dbraw/zinc/35/55/47/589355547.db2.gz CNJMFAYMJRVXLI-LLVKDONJSA-N 2 1 224.352 1.267 20 0 BDADMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864457114 589367271 /nfs/dbraw/zinc/36/72/71/589367271.db2.gz PBJLVKUSOYVWMI-GHMZBOCLSA-N 2 1 226.368 1.241 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)CC[C@H]2O)CC1 ZINC000866453097 589494396 /nfs/dbraw/zinc/49/43/96/589494396.db2.gz HEILJWFTWPEQKH-CHWSQXEVSA-N 2 1 240.391 1.610 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000866486177 589496404 /nfs/dbraw/zinc/49/64/04/589496404.db2.gz AOBFNKZOHGZHGT-BJDJZHNGSA-N 2 1 228.405 1.953 20 0 BDADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000866486177 589496405 /nfs/dbraw/zinc/49/64/05/589496405.db2.gz AOBFNKZOHGZHGT-BJDJZHNGSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@H](C1CC1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585207 589501987 /nfs/dbraw/zinc/50/19/87/589501987.db2.gz VMXNWGORPMTVET-WXHSDQCUSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585207 589501988 /nfs/dbraw/zinc/50/19/88/589501988.db2.gz VMXNWGORPMTVET-WXHSDQCUSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585207 589501989 /nfs/dbraw/zinc/50/19/89/589501989.db2.gz VMXNWGORPMTVET-WXHSDQCUSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C1CC1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585207 589501990 /nfs/dbraw/zinc/50/19/90/589501990.db2.gz VMXNWGORPMTVET-WXHSDQCUSA-N 2 1 208.349 1.811 20 0 BDADMP C[C@H](C[N@H+](CC[NH3+])CCO)CC(C)(C)C ZINC000866660800 589507932 /nfs/dbraw/zinc/50/79/32/589507932.db2.gz LZELSTVULNYUEW-NSHDSACASA-N 2 1 216.369 1.312 20 0 BDADMP C[C@H](C[N@@H+](CC[NH3+])CCO)CC(C)(C)C ZINC000866660800 589507934 /nfs/dbraw/zinc/50/79/34/589507934.db2.gz LZELSTVULNYUEW-NSHDSACASA-N 2 1 216.369 1.312 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660754 589508359 /nfs/dbraw/zinc/50/83/59/589508359.db2.gz KWFKEOHWLIOYBW-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[NH2+]CCC1(C)C)C1CC1 ZINC000866697397 589512581 /nfs/dbraw/zinc/51/25/81/589512581.db2.gz OLRZJCXPYVRLME-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866703752 589513411 /nfs/dbraw/zinc/51/34/11/589513411.db2.gz LQEWNJLAVGMTNW-WDEREUQCSA-N 2 1 214.378 1.281 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000866704832 589514135 /nfs/dbraw/zinc/51/41/35/589514135.db2.gz YDWNLQJVDPRDTA-MJBXVCDLSA-N 2 1 237.391 1.012 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704824 589514456 /nfs/dbraw/zinc/51/44/56/589514456.db2.gz YDSIRIUSPOGDQB-SRVKXCTJSA-N 2 1 226.389 1.281 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccno2)C1 ZINC000866705918 589514754 /nfs/dbraw/zinc/51/47/54/589514754.db2.gz JJLCUQXZQMJPBT-ZDUSSCGKSA-N 2 1 237.347 1.872 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccno2)C1 ZINC000866705918 589514756 /nfs/dbraw/zinc/51/47/56/589514756.db2.gz JJLCUQXZQMJPBT-ZDUSSCGKSA-N 2 1 237.347 1.872 20 0 BDADMP CC[C@@H](C[NH+](C)C)OC(=O)Cn1c[nH+]cc1C ZINC000870548749 589673571 /nfs/dbraw/zinc/67/35/71/589673571.db2.gz QDACQWCQQZCAPK-NSHDSACASA-N 2 1 239.319 1.075 20 0 BDADMP C[C@@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792257 589819690 /nfs/dbraw/zinc/81/96/90/589819690.db2.gz SQCNTMCBQRVIEN-BNSCUJALSA-N 2 1 222.292 1.087 20 0 BDADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)C1CC[NH2+]CC1 ZINC000872142285 589882453 /nfs/dbraw/zinc/88/24/53/589882453.db2.gz ROBBQMQUEINPQO-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)C1CC([NH3+])C1 ZINC000872143380 589883010 /nfs/dbraw/zinc/88/30/10/589883010.db2.gz QKICDDNIKVOEAR-MCIGGMRASA-N 2 1 224.348 1.367 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)C1 ZINC000872144231 589883061 /nfs/dbraw/zinc/88/30/61/589883061.db2.gz CWCFTZCUNLNQAY-OBPIAQAESA-N 2 1 226.364 1.388 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000872144820 589884126 /nfs/dbraw/zinc/88/41/26/589884126.db2.gz JHGCFKWOOQMIFC-YUTCNCBUSA-N 2 1 240.391 1.909 20 0 BDADMP CCn1ncc(C[N@H+](C)CCCCCC[NH3+])n1 ZINC000872155509 589885881 /nfs/dbraw/zinc/88/58/81/589885881.db2.gz NZGKPEGSYRCGQJ-UHFFFAOYSA-N 2 1 239.367 1.249 20 0 BDADMP CCn1ncc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000872155509 589885882 /nfs/dbraw/zinc/88/58/82/589885882.db2.gz NZGKPEGSYRCGQJ-UHFFFAOYSA-N 2 1 239.367 1.249 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC[C@@H]1CCC[NH2+]C1 ZINC000872155518 589886578 /nfs/dbraw/zinc/88/65/78/589886578.db2.gz OGGIINYQIOSVDP-AWEZNQCLSA-N 3 1 241.423 1.827 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000873209595 589994761 /nfs/dbraw/zinc/99/47/61/589994761.db2.gz PVYMHAPSUGYIPZ-KBPBESRZSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)[C@@H](C[NH3+])CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000873209595 589994763 /nfs/dbraw/zinc/99/47/63/589994763.db2.gz PVYMHAPSUGYIPZ-KBPBESRZSA-N 2 1 239.407 1.293 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213434 589997282 /nfs/dbraw/zinc/99/72/82/589997282.db2.gz ZMOODAGUKLPHQY-BDAKNGLRSA-N 3 1 239.388 1.219 20 0 BDADMP COC(=O)CC[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000873229384 590001823 /nfs/dbraw/zinc/00/18/23/590001823.db2.gz VOEQLPXFUOGWJE-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP COC(=O)CC[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000873229384 590001826 /nfs/dbraw/zinc/00/18/26/590001826.db2.gz VOEQLPXFUOGWJE-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(N)nc1 ZINC000873231893 590003016 /nfs/dbraw/zinc/00/30/16/590003016.db2.gz XRPPKEWONOCMGE-UHFFFAOYSA-N 2 1 236.363 1.615 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCCCCC[NH3+])CC[NH2+]1 ZINC000873231430 590003398 /nfs/dbraw/zinc/00/33/98/590003398.db2.gz IUICLOSHEWCZTH-KGLIPLIRSA-N 3 1 241.423 1.825 20 0 BDADMP C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCC[NH2+]1 ZINC000873238549 590005199 /nfs/dbraw/zinc/00/51/99/590005199.db2.gz BFYUXSUGYATYJI-YDQFZURESA-N 2 1 236.359 1.140 20 0 BDADMP CC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000125647048 590176058 /nfs/dbraw/zinc/17/60/58/590176058.db2.gz YUDPKPIXYLQJPJ-UHFFFAOYSA-N 2 1 204.317 1.784 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)CC[C@@H]21 ZINC000877739448 590406726 /nfs/dbraw/zinc/40/67/26/590406726.db2.gz GCSHGMQYMVLMHO-OLZOCXBDSA-N 2 1 247.342 1.313 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)CC[C@@H]21 ZINC000877739448 590406727 /nfs/dbraw/zinc/40/67/27/590406727.db2.gz GCSHGMQYMVLMHO-OLZOCXBDSA-N 2 1 247.342 1.313 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)CC[C@@H]21 ZINC000877739448 590406730 /nfs/dbraw/zinc/40/67/30/590406730.db2.gz GCSHGMQYMVLMHO-OLZOCXBDSA-N 2 1 247.342 1.313 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)CC[C@@H]21 ZINC000877739448 590406733 /nfs/dbraw/zinc/40/67/33/590406733.db2.gz GCSHGMQYMVLMHO-OLZOCXBDSA-N 2 1 247.342 1.313 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000878125807 590501946 /nfs/dbraw/zinc/50/19/46/590501946.db2.gz RGZHYLVSHDZPDK-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511718 590584103 /nfs/dbraw/zinc/58/41/03/590584103.db2.gz HFMYXXPEBZRTOZ-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCC3)CC[C@H]21 ZINC000879572877 590800656 /nfs/dbraw/zinc/80/06/56/590800656.db2.gz KDMKFIIDQYQIMT-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCC3)CC[C@H]21 ZINC000879572877 590800659 /nfs/dbraw/zinc/80/06/59/590800659.db2.gz KDMKFIIDQYQIMT-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC000879572877 590800663 /nfs/dbraw/zinc/80/06/63/590800663.db2.gz KDMKFIIDQYQIMT-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC000879572877 590800667 /nfs/dbraw/zinc/80/06/67/590800667.db2.gz KDMKFIIDQYQIMT-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569028 590807105 /nfs/dbraw/zinc/80/71/05/590807105.db2.gz HQOPORHRGIOLIL-QWHCGFSZSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569028 590807108 /nfs/dbraw/zinc/80/71/08/590807108.db2.gz HQOPORHRGIOLIL-QWHCGFSZSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569028 590807110 /nfs/dbraw/zinc/80/71/10/590807110.db2.gz HQOPORHRGIOLIL-QWHCGFSZSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569028 590807111 /nfs/dbraw/zinc/80/71/11/590807111.db2.gz HQOPORHRGIOLIL-QWHCGFSZSA-N 2 1 226.364 1.437 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000879571117 590809762 /nfs/dbraw/zinc/80/97/62/590809762.db2.gz MVMOVNUYWPNKKB-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000879571117 590809765 /nfs/dbraw/zinc/80/97/65/590809765.db2.gz MVMOVNUYWPNKKB-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000879571117 590809768 /nfs/dbraw/zinc/80/97/68/590809768.db2.gz MVMOVNUYWPNKKB-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000879571117 590809773 /nfs/dbraw/zinc/80/97/73/590809773.db2.gz MVMOVNUYWPNKKB-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCn3ccnc3)CC[C@H]21 ZINC000879577844 590815574 /nfs/dbraw/zinc/81/55/74/590815574.db2.gz MXWCKGPUVHOSOI-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCn3ccnc3)CC[C@H]21 ZINC000879577844 590815577 /nfs/dbraw/zinc/81/55/77/590815577.db2.gz MXWCKGPUVHOSOI-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCn3ccnc3)CC[C@H]21 ZINC000879577844 590815580 /nfs/dbraw/zinc/81/55/80/590815580.db2.gz MXWCKGPUVHOSOI-ZIAGYGMSSA-N 2 1 248.374 1.299 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)O1 ZINC000879583348 590822445 /nfs/dbraw/zinc/82/24/45/590822445.db2.gz XYNDMYZIHHTTEO-SYQHCUMBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)O1 ZINC000879583348 590822448 /nfs/dbraw/zinc/82/24/48/590822448.db2.gz XYNDMYZIHHTTEO-SYQHCUMBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)O1 ZINC000879583348 590822450 /nfs/dbraw/zinc/82/24/50/590822450.db2.gz XYNDMYZIHHTTEO-SYQHCUMBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952111 590895451 /nfs/dbraw/zinc/89/54/51/590895451.db2.gz SETMAZSCNUVAHM-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2CCc1cccnc1 ZINC000880137716 590940076 /nfs/dbraw/zinc/94/00/76/590940076.db2.gz JLQSJKBUCRFJJY-CABCVRRESA-N 2 1 245.370 1.793 20 0 BDADMP C[N@@H+]1CCC[C@H]2[C@H]1CCN2CCc1cccnc1 ZINC000880137716 590940078 /nfs/dbraw/zinc/94/00/78/590940078.db2.gz JLQSJKBUCRFJJY-CABCVRRESA-N 2 1 245.370 1.793 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2CCc1cccnc1 ZINC000880137716 590940080 /nfs/dbraw/zinc/94/00/80/590940080.db2.gz JLQSJKBUCRFJJY-CABCVRRESA-N 2 1 245.370 1.793 20 0 BDADMP COC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259710 590980549 /nfs/dbraw/zinc/98/05/49/590980549.db2.gz ZNZWPALFQOLHSA-OLZOCXBDSA-N 2 1 249.358 1.627 20 0 BDADMP COCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261579 590981031 /nfs/dbraw/zinc/98/10/31/590981031.db2.gz XDIIAJRKJLAXCC-CYBMUJFWSA-N 2 1 249.358 1.629 20 0 BDADMP CCCCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000128554246 591120538 /nfs/dbraw/zinc/12/05/38/591120538.db2.gz ISOKXSLXSBWDRH-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000128554246 591120536 /nfs/dbraw/zinc/12/05/36/591120536.db2.gz ISOKXSLXSBWDRH-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@H](C[NH3+])C2)c1 ZINC000214061668 591531519 /nfs/dbraw/zinc/53/15/19/591531519.db2.gz FLDZMLVYJPQPNU-LLVKDONJSA-N 2 1 235.331 1.179 20 0 BDADMP C=C/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000883436780 591665571 /nfs/dbraw/zinc/66/55/71/591665571.db2.gz AMXFECQMTDXBAL-LDIIPZEWSA-N 2 1 206.333 1.932 20 0 BDADMP CC1(C)[C@H](N)C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000883442569 591669685 /nfs/dbraw/zinc/66/96/85/591669685.db2.gz OLBJMQSJUJFJEV-MNOVXSKESA-N 2 1 213.369 1.221 20 0 BDADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1C[NH2+]C)C1CC1 ZINC000883450247 591670982 /nfs/dbraw/zinc/67/09/82/591670982.db2.gz HAIHMHQRKYNOJV-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@H](C[N@@H+]1CCCC[C@@H]1C[NH2+]C)C1CC1 ZINC000883450247 591670978 /nfs/dbraw/zinc/67/09/78/591670978.db2.gz HAIHMHQRKYNOJV-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP COC(=O)C(C)(C)C[N@@H+](CCC[NH3+])CC(C)C ZINC000883460712 591673843 /nfs/dbraw/zinc/67/38/43/591673843.db2.gz DXFXDHCQWYKMTI-UHFFFAOYSA-N 2 1 244.379 1.492 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)C(F)F)CC[C@H]21 ZINC000886310745 592205031 /nfs/dbraw/zinc/20/50/31/592205031.db2.gz UGXWCMKGYRQFDN-FOGDFJRCSA-N 2 1 248.317 1.029 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)C(F)F)CC[C@H]21 ZINC000886310745 592205032 /nfs/dbraw/zinc/20/50/32/592205032.db2.gz UGXWCMKGYRQFDN-FOGDFJRCSA-N 2 1 248.317 1.029 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@](C)(O)C(F)F)CC[C@H]21 ZINC000886310745 592205033 /nfs/dbraw/zinc/20/50/33/592205033.db2.gz UGXWCMKGYRQFDN-FOGDFJRCSA-N 2 1 248.317 1.029 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@](C)(O)C(F)F)CC[C@H]21 ZINC000886310745 592205034 /nfs/dbraw/zinc/20/50/34/592205034.db2.gz UGXWCMKGYRQFDN-FOGDFJRCSA-N 2 1 248.317 1.029 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)C(F)F)CC[C@@H]21 ZINC000886310747 592205405 /nfs/dbraw/zinc/20/54/05/592205405.db2.gz UGXWCMKGYRQFDN-SCVCMEIPSA-N 2 1 248.317 1.029 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)C(F)F)CC[C@@H]21 ZINC000886310747 592205406 /nfs/dbraw/zinc/20/54/06/592205406.db2.gz UGXWCMKGYRQFDN-SCVCMEIPSA-N 2 1 248.317 1.029 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@](C)(O)C(F)F)CC[C@@H]21 ZINC000886310747 592205408 /nfs/dbraw/zinc/20/54/08/592205408.db2.gz UGXWCMKGYRQFDN-SCVCMEIPSA-N 2 1 248.317 1.029 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@](C)(O)C(F)F)CC[C@@H]21 ZINC000886310747 592205410 /nfs/dbraw/zinc/20/54/10/592205410.db2.gz UGXWCMKGYRQFDN-SCVCMEIPSA-N 2 1 248.317 1.029 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1C[C@]12CCOC2 ZINC000886829752 592351467 /nfs/dbraw/zinc/35/14/67/592351467.db2.gz GPDFOAYGMYOVIF-MCIONIFRSA-N 2 1 240.391 1.718 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@]12CCOC2)CC(C)(C)C[NH3+] ZINC000886830909 592355144 /nfs/dbraw/zinc/35/51/44/592355144.db2.gz ZPZQLSBVGLWRSO-WCQYABFASA-N 2 1 226.364 1.330 20 0 BDADMP COCC[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872230 592376346 /nfs/dbraw/zinc/37/63/46/592376346.db2.gz NDRCXIIROMPVGA-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP c1cnn(CC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886872592 592376788 /nfs/dbraw/zinc/37/67/88/592376788.db2.gz WIMJDFOCOZMQDO-CQSZACIVSA-N 2 1 248.374 1.349 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887352684 592486053 /nfs/dbraw/zinc/48/60/53/592486053.db2.gz KGUYZBSJBLLFQC-MRVPVSSYSA-N 2 1 236.310 1.096 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NCC1CC1 ZINC000887348735 592484366 /nfs/dbraw/zinc/48/43/66/592484366.db2.gz UUOHGFVOPOWLSW-NSHDSACASA-N 2 1 238.379 1.385 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887351470 592486344 /nfs/dbraw/zinc/48/63/44/592486344.db2.gz QBZPBMRIGYQZHC-GFCCVEGCSA-N 2 1 238.379 1.241 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887352685 592486537 /nfs/dbraw/zinc/48/65/37/592486537.db2.gz KGUYZBSJBLLFQC-QMMMGPOBSA-N 2 1 236.310 1.096 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887353751 592487033 /nfs/dbraw/zinc/48/70/33/592487033.db2.gz BAMQNRMFAJYBCO-UHFFFAOYSA-N 2 1 236.310 1.097 20 0 BDADMP C[NH2+]CC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000300834089 592521516 /nfs/dbraw/zinc/52/15/16/592521516.db2.gz HSAGWZJMVAZXSL-SECBINFHSA-N 2 1 206.280 1.573 20 0 BDADMP C[NH2+]CC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000300834089 592521517 /nfs/dbraw/zinc/52/15/17/592521517.db2.gz HSAGWZJMVAZXSL-SECBINFHSA-N 2 1 206.280 1.573 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)C[C@@H](C)[NH3+])c1C ZINC000104315525 592610447 /nfs/dbraw/zinc/61/04/47/592610447.db2.gz SBHPGLMZQFNVEQ-SNVBAGLBSA-N 2 1 237.347 1.486 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703435 634380614 /nfs/dbraw/zinc/38/06/14/634380614.db2.gz USESVCMEQZMAAI-OCCSQVGLSA-N 3 1 247.386 1.794 20 0 BDADMP C[C@@H]([NH3+])[C@H](NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000925703435 634380607 /nfs/dbraw/zinc/38/06/07/634380607.db2.gz USESVCMEQZMAAI-OCCSQVGLSA-N 2 1 247.386 1.794 20 0 BDADMP N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C12CCC2 ZINC000925706590 634392016 /nfs/dbraw/zinc/39/20/16/634392016.db2.gz MZYBUABYGGXULN-ITGHMWBKSA-N 2 1 249.402 1.234 20 0 BDADMP CO[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@H]1C ZINC000299911501 634397421 /nfs/dbraw/zinc/39/74/21/634397421.db2.gz MWWSVRWSTXDBEC-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925710557 634409957 /nfs/dbraw/zinc/40/99/57/634409957.db2.gz WZENOLBESGQMCO-CYBMUJFWSA-N 2 1 245.370 1.864 20 0 BDADMP Nc1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925713164 634413745 /nfs/dbraw/zinc/41/37/45/634413745.db2.gz KFHSBDMMVKSTRQ-XSXPHNMFSA-N 2 1 243.354 1.355 20 0 BDADMP C([C@H]1CCOC1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257687936 634463764 /nfs/dbraw/zinc/46/37/64/634463764.db2.gz MSEHDPXMNMKDSJ-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@H]1CCOC1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257687936 634463776 /nfs/dbraw/zinc/46/37/76/634463776.db2.gz MSEHDPXMNMKDSJ-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)[C@H]1CCCCO1 ZINC000257742503 634489082 /nfs/dbraw/zinc/48/90/82/634489082.db2.gz ZCFAFORKHXNPRR-ZIAGYGMSSA-N 2 1 238.375 1.774 20 0 BDADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)[C@H]1CCCCO1 ZINC000257742503 634489091 /nfs/dbraw/zinc/48/90/91/634489091.db2.gz ZCFAFORKHXNPRR-ZIAGYGMSSA-N 2 1 238.375 1.774 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@H](N)C12CCC2)C1CC[NH2+]CC1 ZINC000925728259 634527901 /nfs/dbraw/zinc/52/79/01/634527901.db2.gz KFAALEJMKGBONB-WXHSDQCUSA-N 2 1 237.391 1.234 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925771662 635210048 /nfs/dbraw/zinc/21/00/48/635210048.db2.gz COZMYDIXAZNZCS-NWDGAFQWSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCCC(C)(C)[NH3+] ZINC000925741767 634603448 /nfs/dbraw/zinc/60/34/48/634603448.db2.gz MSNSRLGDPNVNMD-ZYHUDNBSSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC(C)(C)[NH3+] ZINC000925741767 634603455 /nfs/dbraw/zinc/60/34/55/634603455.db2.gz MSNSRLGDPNVNMD-ZYHUDNBSSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000398643347 634609316 /nfs/dbraw/zinc/60/93/16/634609316.db2.gz YRASFKVLVIFAAG-MGPQQGTHSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000398643347 634609321 /nfs/dbraw/zinc/60/93/21/634609321.db2.gz YRASFKVLVIFAAG-MGPQQGTHSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925829456 635459074 /nfs/dbraw/zinc/45/90/74/635459074.db2.gz BZZIGEGYCKZYAH-REWJHTLYSA-N 2 1 238.375 1.533 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCOCC1 ZINC000061934905 635460041 /nfs/dbraw/zinc/46/00/41/635460041.db2.gz HHUPWJMOFVDJPJ-UHFFFAOYSA-N 2 1 200.326 1.228 20 0 BDADMP CC1([NH+]2CCC2)CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000925862211 635559768 /nfs/dbraw/zinc/55/97/68/635559768.db2.gz YIACRBVWHCNSGF-MOKVOYLWSA-N 2 1 237.391 1.345 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925891152 635615985 /nfs/dbraw/zinc/61/59/85/635615985.db2.gz SXHGKLPLVCEUCK-OLZOCXBDSA-N 2 1 249.358 1.905 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000925890529 635616553 /nfs/dbraw/zinc/61/65/53/635616553.db2.gz QBARCONKMDRBHE-IUCAKERBSA-N 2 1 225.336 1.761 20 0 BDADMP C[C@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000308447603 631292624 /nfs/dbraw/zinc/29/26/24/631292624.db2.gz ADDLBCOBUVYLRJ-HRDYMLBCSA-N 2 1 206.280 1.557 20 0 BDADMP CC1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CCC1 ZINC000308485527 631390891 /nfs/dbraw/zinc/39/08/91/631390891.db2.gz OBQSRJXYKXQEKW-QMMMGPOBSA-N 2 1 206.280 1.749 20 0 BDADMP CCC[N@H+]1CC[C@@H](CNc2nc(N)cc(C)[nH+]2)C1 ZINC000891967733 631653484 /nfs/dbraw/zinc/65/34/84/631653484.db2.gz QQNSIIKOFWRDHR-NSHDSACASA-N 2 1 249.362 1.511 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCO ZINC000308927497 631745744 /nfs/dbraw/zinc/74/57/44/631745744.db2.gz INMFQEUGEJQAMW-NWDGAFQWSA-N 2 1 216.369 1.467 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCO ZINC000308927497 631745746 /nfs/dbraw/zinc/74/57/46/631745746.db2.gz INMFQEUGEJQAMW-NWDGAFQWSA-N 2 1 216.369 1.467 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCOCC1 ZINC000926505634 632403413 /nfs/dbraw/zinc/40/34/13/632403413.db2.gz JUXFNRYXTOUZMW-PBWFPOADSA-N 2 1 236.359 1.263 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926558612 632524666 /nfs/dbraw/zinc/52/46/66/632524666.db2.gz JMYVUQYYIAFKIH-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000089150316 632658115 /nfs/dbraw/zinc/65/81/15/632658115.db2.gz JACMSRULYNUOCA-KBPBESRZSA-N 2 1 239.407 1.579 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccncc2)CC[NH2+]1 ZINC000235366212 632680301 /nfs/dbraw/zinc/68/03/01/632680301.db2.gz YUYTXUUWKAKWLV-TZMCWYRMSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)C(C)(C)C2)CC[NH2+]1 ZINC000235381447 632681413 /nfs/dbraw/zinc/68/14/13/632681413.db2.gz ROGVIVRVGUANSR-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]([N@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000309984020 632689531 /nfs/dbraw/zinc/68/95/31/632689531.db2.gz ZGGAWFATQDOPIU-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000309984020 632689534 /nfs/dbraw/zinc/68/95/34/632689534.db2.gz ZGGAWFATQDOPIU-OLZOCXBDSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310438220 632740855 /nfs/dbraw/zinc/74/08/55/632740855.db2.gz OZVXEHQBKAQWTK-CYBMUJFWSA-N 3 1 241.423 1.647 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000310438220 632740862 /nfs/dbraw/zinc/74/08/62/632740862.db2.gz OZVXEHQBKAQWTK-CYBMUJFWSA-N 3 1 241.423 1.647 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cccnc21 ZINC000310618184 632808147 /nfs/dbraw/zinc/80/81/47/632808147.db2.gz FWUFFLBGONPRNW-CYBMUJFWSA-N 2 1 242.326 1.864 20 0 BDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC ZINC000066245824 632861926 /nfs/dbraw/zinc/86/19/26/632861926.db2.gz FMOHQHWRRCOLCE-LLVKDONJSA-N 2 1 226.368 1.175 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000249841922 633012317 /nfs/dbraw/zinc/01/23/17/633012317.db2.gz TXJKBNNMAWNWEF-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+]CCCCCCN1CC[NH+](C2CCC2)CC1 ZINC000328363157 633756996 /nfs/dbraw/zinc/75/69/96/633756996.db2.gz BSZDUJFMSPOCHH-UHFFFAOYSA-N 2 1 239.407 1.676 20 0 BDADMP c1csc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)n1 ZINC000328561350 633775495 /nfs/dbraw/zinc/77/54/95/633775495.db2.gz GMGWAMLFSKUVCZ-CXWACVEQSA-N 2 1 249.383 1.272 20 0 BDADMP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925507361 633841034 /nfs/dbraw/zinc/84/10/34/633841034.db2.gz XZQZSQPFKYKYAV-WDEREUQCSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000309396785 633908155 /nfs/dbraw/zinc/90/81/55/633908155.db2.gz ILUYTEDGPYRZAY-WZRBSPASSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309396785 633908161 /nfs/dbraw/zinc/90/81/61/633908161.db2.gz ILUYTEDGPYRZAY-WZRBSPASSA-N 2 1 226.364 1.220 20 0 BDADMP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000925538581 633946005 /nfs/dbraw/zinc/94/60/05/633946005.db2.gz VGZCSPOLYJHBPH-TZMCWYRMSA-N 2 1 249.402 1.345 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccncc1 ZINC000925541080 633955218 /nfs/dbraw/zinc/95/52/18/633955218.db2.gz HHMKQDTXXXVCPR-MBNYWOFBSA-N 2 1 233.359 1.915 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983432 634028096 /nfs/dbraw/zinc/02/80/96/634028096.db2.gz YINUTVVAGUNNHG-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983433 634028853 /nfs/dbraw/zinc/02/88/53/634028853.db2.gz YINUTVVAGUNNHG-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]([NH3+])[C@@H](NC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000925563058 634044562 /nfs/dbraw/zinc/04/45/62/634044562.db2.gz AACJZCUQYCLISH-NWANDNLSSA-N 2 1 247.386 1.759 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925614388 634155725 /nfs/dbraw/zinc/15/57/25/634155725.db2.gz YAFHNZIVPCYKDZ-CHWSQXEVSA-N 2 1 240.391 1.658 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925614661 634156940 /nfs/dbraw/zinc/15/69/40/634156940.db2.gz ZQYFRIDINLFBTN-ZYHUDNBSSA-N 2 1 214.353 1.124 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n[nH]1 ZINC000925619547 634176040 /nfs/dbraw/zinc/17/60/40/634176040.db2.gz OVRDUQVKTNYJCG-TVYUQYBPSA-N 2 1 248.374 1.509 20 0 BDADMP CC(F)(F)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925681670 634280080 /nfs/dbraw/zinc/28/00/80/634280080.db2.gz WPFFSCFMCARSKO-VIFPVBQESA-N 2 1 218.291 1.906 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925683866 634288996 /nfs/dbraw/zinc/28/89/96/634288996.db2.gz XGRPTKYHYVBPIB-WTPNQPAHSA-N 2 1 236.359 1.140 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925683865 634289359 /nfs/dbraw/zinc/28/93/59/634289359.db2.gz XGRPTKYHYVBPIB-QUTCXQLSSA-N 2 1 236.359 1.140 20 0 BDADMP C[C@@H]1NCCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000925686976 634302115 /nfs/dbraw/zinc/30/21/15/634302115.db2.gz YAGYTWSUVNGZRK-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000925686976 634302121 /nfs/dbraw/zinc/30/21/21/634302121.db2.gz YAGYTWSUVNGZRK-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000925686976 634302126 /nfs/dbraw/zinc/30/21/26/634302126.db2.gz YAGYTWSUVNGZRK-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]([NH3+])[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695348 634345564 /nfs/dbraw/zinc/34/55/64/634345564.db2.gz WAALFEVUCDRMHD-GZBFAFLISA-N 2 1 247.386 1.664 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695348 634345566 /nfs/dbraw/zinc/34/55/66/634345566.db2.gz WAALFEVUCDRMHD-GZBFAFLISA-N 3 1 247.386 1.664 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925695720 634348488 /nfs/dbraw/zinc/34/84/88/634348488.db2.gz WFJFKOVHDYMBSL-FRRDWIJNSA-N 2 1 226.364 1.391 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000925698185 634362821 /nfs/dbraw/zinc/36/28/21/634362821.db2.gz JJUFPDBWUHLAKX-IJLUTSLNSA-N 3 1 225.380 1.092 20 0 BDADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000925700364 634368572 /nfs/dbraw/zinc/36/85/72/634368572.db2.gz SIYGGLDMNWIWJW-FQUUOJAGSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000925702169 634376533 /nfs/dbraw/zinc/37/65/33/634376533.db2.gz AAIOQXGGWIDCHA-LPTSXCQYSA-N 2 1 208.349 1.905 20 0 BDADMP c1ccc(C[N@H+]2CC[C@@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000094079591 635179607 /nfs/dbraw/zinc/17/96/07/635179607.db2.gz IDHKQPPDNXBEFW-HUUCEWRRSA-N 2 1 245.370 1.212 20 0 BDADMP Cn1cnc2cc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])ccc21 ZINC000259102179 635242922 /nfs/dbraw/zinc/24/29/22/635242922.db2.gz SFTXVDHBYHCVBX-NWDGAFQWSA-N 2 1 244.342 1.543 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)n(C)n1 ZINC000925782750 635280714 /nfs/dbraw/zinc/28/07/14/635280714.db2.gz AIZBWTGQHZMBRS-JLLWLGSASA-N 2 1 236.363 1.235 20 0 BDADMP CC[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925796604 635334845 /nfs/dbraw/zinc/33/48/45/635334845.db2.gz SEEUVXBMQUNGNV-SYQHCUMBSA-N 2 1 239.407 1.352 20 0 BDADMP Cn1nc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1C1CC1 ZINC000925873245 635590246 /nfs/dbraw/zinc/59/02/46/635590246.db2.gz HDHISHAZFOVFGM-AAEUAGOBSA-N 2 1 248.374 1.515 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)CO ZINC000925010637 635846506 /nfs/dbraw/zinc/84/65/06/635846506.db2.gz NAQSVJFUZHJSJK-RYUDHWBXSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000310568866 636268424 /nfs/dbraw/zinc/26/84/24/636268424.db2.gz YPMIOJNIOIIISP-CHWSQXEVSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000310568866 636268447 /nfs/dbraw/zinc/26/84/47/636268447.db2.gz YPMIOJNIOIIISP-CHWSQXEVSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)(C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052042172 636669813 /nfs/dbraw/zinc/66/98/13/636669813.db2.gz NUFRUHZQHADTSQ-JTQLQIEISA-N 2 1 238.379 1.383 20 0 BDADMP OCCC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000898011663 636851490 /nfs/dbraw/zinc/85/14/90/636851490.db2.gz SHFWZWMXDAFCPG-HHTDUIENSA-N 2 1 238.375 1.364 20 0 BDADMP CCc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000088759711 636900240 /nfs/dbraw/zinc/90/02/40/636900240.db2.gz QUFMJYFAGGFNFY-ZYHUDNBSSA-N 2 1 248.374 1.911 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCO1 ZINC000924629907 636945358 /nfs/dbraw/zinc/94/53/58/636945358.db2.gz SYIPFYLEMFFNLN-RBKKPWLPSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCO1 ZINC000924629908 636946078 /nfs/dbraw/zinc/94/60/78/636946078.db2.gz SYIPFYLEMFFNLN-WJLOJVBCSA-N 2 1 238.375 1.485 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)C[NH+](C)C ZINC000926963439 636972583 /nfs/dbraw/zinc/97/25/83/636972583.db2.gz UFBWXNNGZLVLCD-RFQIPJPRSA-N 2 1 242.407 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](CC)C(C)C)C[NH+](C)C ZINC000926960718 636973261 /nfs/dbraw/zinc/97/32/61/636973261.db2.gz GZBNAEKCJCXUAO-OLZOCXBDSA-N 2 1 230.396 1.977 20 0 BDADMP CCO[C@H](C[NH2+][C@H](CC)C1CC1)C[NH+](C)C ZINC000926965103 636976951 /nfs/dbraw/zinc/97/69/51/636976951.db2.gz PAFYMWASBGZOTG-CHWSQXEVSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924706588 637015642 /nfs/dbraw/zinc/01/56/42/637015642.db2.gz QEDGGYVBSQOTEG-NEPJUHHUSA-N 2 1 228.380 1.325 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000924712616 637021143 /nfs/dbraw/zinc/02/11/43/637021143.db2.gz JAUKQQJRVPMVHN-NSHDSACASA-N 2 1 239.363 1.578 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000924717981 637030415 /nfs/dbraw/zinc/03/04/15/637030415.db2.gz OGHPQNSTYINDAM-UZGDPCLZSA-N 2 1 240.391 1.587 20 0 BDADMP CCCSC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000903093153 637343253 /nfs/dbraw/zinc/34/32/53/637343253.db2.gz PJMSEVJTYVJIJB-WDEREUQCSA-N 2 1 234.409 1.030 20 0 BDADMP FCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903168361 637350979 /nfs/dbraw/zinc/35/09/79/637350979.db2.gz VRZMRWKVKNHFNT-CLYYMRHHSA-N 2 1 212.312 1.703 20 0 BDADMP FCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903168361 637350983 /nfs/dbraw/zinc/35/09/83/637350983.db2.gz VRZMRWKVKNHFNT-CLYYMRHHSA-N 2 1 212.312 1.703 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1CC1(C)C ZINC000903464830 637363002 /nfs/dbraw/zinc/36/30/02/637363002.db2.gz YDFJJOPYCFSIAU-GRYCIOLGSA-N 2 1 210.365 1.820 20 0 BDADMP CCO[C@H](C[N@@H+]1CCCC[C@H]1C[NH2+]C)C1CC1 ZINC000903529079 637368651 /nfs/dbraw/zinc/36/86/51/637368651.db2.gz HAIHMHQRKYNOJV-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@H](C[N@H+]1CCCC[C@H]1C[NH2+]C)C1CC1 ZINC000903529079 637368654 /nfs/dbraw/zinc/36/86/54/637368654.db2.gz HAIHMHQRKYNOJV-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903566380 637370281 /nfs/dbraw/zinc/37/02/81/637370281.db2.gz RNTSZUHWKKTMRR-AAEUAGOBSA-N 2 1 234.347 1.167 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903566380 637370284 /nfs/dbraw/zinc/37/02/84/637370284.db2.gz RNTSZUHWKKTMRR-AAEUAGOBSA-N 2 1 234.347 1.167 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903566715 637371081 /nfs/dbraw/zinc/37/10/81/637371081.db2.gz ZDCCTLOEBHWWCK-MBNYWOFBSA-N 2 1 248.374 1.684 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727089 637379543 /nfs/dbraw/zinc/37/95/43/637379543.db2.gz QCSWEWKDZCRVBF-OCCSQVGLSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722251 637380412 /nfs/dbraw/zinc/38/04/12/637380412.db2.gz JQIMQDAYDAXIOC-BFHYXJOUSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722109 637380053 /nfs/dbraw/zinc/38/00/53/637380053.db2.gz HEUQIPQHDWKWPX-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721987 637380367 /nfs/dbraw/zinc/38/03/67/637380367.db2.gz GSVIWTRPJXXNNY-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C3CC3)no1)C2 ZINC000903841893 637384914 /nfs/dbraw/zinc/38/49/14/637384914.db2.gz HUVJWBQURGXAAR-WCQGTBRESA-N 2 1 247.342 1.864 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(C3CC3)no1)C2 ZINC000903841893 637384919 /nfs/dbraw/zinc/38/49/19/637384919.db2.gz HUVJWBQURGXAAR-WCQGTBRESA-N 2 1 247.342 1.864 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccncc1)C2 ZINC000903841126 637384948 /nfs/dbraw/zinc/38/49/48/637384948.db2.gz BCWFNIQPZLFOFF-ZNMIVQPWSA-N 2 1 245.370 1.826 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904430656 637400264 /nfs/dbraw/zinc/40/02/64/637400264.db2.gz RZLSCPVKIMEYKW-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904430656 637400267 /nfs/dbraw/zinc/40/02/67/637400267.db2.gz RZLSCPVKIMEYKW-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C(C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@@H]1CCOC1 ZINC000904430647 637400928 /nfs/dbraw/zinc/40/09/28/637400928.db2.gz RXZZUMVZSZRWOY-KGLIPLIRSA-N 2 1 238.375 1.631 20 0 BDADMP C(C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)[C@@H]1CCOC1 ZINC000904430647 637400935 /nfs/dbraw/zinc/40/09/35/637400935.db2.gz RXZZUMVZSZRWOY-KGLIPLIRSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cccc(=O)[nH]2)CC[NH2+]1 ZINC000904442733 637410996 /nfs/dbraw/zinc/41/09/96/637410996.db2.gz GFNVALRZLYSOLM-NEPJUHHUSA-N 2 1 249.358 1.607 20 0 BDADMP C([NH2+]C1([C@H]2CCCCO2)CC1)C12CC(C1)C[NH2+]2 ZINC000904443466 637411007 /nfs/dbraw/zinc/41/10/07/637411007.db2.gz KXJZJCVUGCKNRK-OTTFEQOBSA-N 2 1 236.359 1.430 20 0 BDADMP Cc1cc(C[NH2+]CC2([NH3+])CC2)c(C)s1 ZINC000904450361 637417795 /nfs/dbraw/zinc/41/77/95/637417795.db2.gz PULAROWHHNTNCT-UHFFFAOYSA-N 2 1 210.346 1.946 20 0 BDADMP CC(C)[N@H+](C)Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000905059897 637591833 /nfs/dbraw/zinc/59/18/33/637591833.db2.gz YEQNUJLSQQWWSD-LBPRGKRZSA-N 2 1 237.351 1.043 20 0 BDADMP CC(C)[N@@H+](C)Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000905059897 637591845 /nfs/dbraw/zinc/59/18/45/637591845.db2.gz YEQNUJLSQQWWSD-LBPRGKRZSA-N 2 1 237.351 1.043 20 0 BDADMP CC(C)[N@H+](C)Cc1cn(CC(C)(C)C[NH3+])nn1 ZINC000905057450 637592569 /nfs/dbraw/zinc/59/25/69/637592569.db2.gz PQPUQDMSXITDHC-UHFFFAOYSA-N 2 1 239.367 1.103 20 0 BDADMP CC(C)[N@@H+](C)Cc1cn(CC(C)(C)C[NH3+])nn1 ZINC000905057450 637592576 /nfs/dbraw/zinc/59/25/76/637592576.db2.gz PQPUQDMSXITDHC-UHFFFAOYSA-N 2 1 239.367 1.103 20 0 BDADMP CC(C)[C@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905319519 637743137 /nfs/dbraw/zinc/74/31/37/637743137.db2.gz ZUSCFPOHMPASIK-NSHDSACASA-N 2 1 238.335 1.268 20 0 BDADMP [NH3+]C1(c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)CC1 ZINC000905315938 637743358 /nfs/dbraw/zinc/74/33/58/637743358.db2.gz ZTQOQYMSPOLHCQ-UTLUCORTSA-N 2 1 248.330 1.611 20 0 BDADMP [NH3+]C1(c2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)CC1 ZINC000905327714 637760363 /nfs/dbraw/zinc/76/03/63/637760363.db2.gz RDKNQYRAUJYBEU-RKDXNWHRSA-N 2 1 234.303 1.221 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@H]([NH3+])CC2CC2)n1 ZINC000905305885 637764771 /nfs/dbraw/zinc/76/47/71/637764771.db2.gz YSULRDSHQYOZDH-IONNQARKSA-N 2 1 224.308 1.020 20 0 BDADMP Cc1nn(C(C)C)cc1C[NH2+]C1CC([NH3+])C1 ZINC000906510523 638182875 /nfs/dbraw/zinc/18/28/75/638182875.db2.gz KUWMZLJNZNKRCI-UHFFFAOYSA-N 2 1 222.336 1.352 20 0 BDADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906516666 638186318 /nfs/dbraw/zinc/18/63/18/638186318.db2.gz GNNMJQFYDCYCCB-MGCOHNPYSA-N 2 1 236.363 1.124 20 0 BDADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906517956 638187799 /nfs/dbraw/zinc/18/77/99/638187799.db2.gz KUWMZLJNZNKRCI-HAQNSBGRSA-N 2 1 222.336 1.352 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000906518949 638188013 /nfs/dbraw/zinc/18/80/13/638188013.db2.gz VMJBKVHTBVQOPS-LJGSYFOKSA-N 2 1 216.737 1.981 20 0 BDADMP CCCC[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000906534388 638202402 /nfs/dbraw/zinc/20/24/02/638202402.db2.gz PLBAYBBEMMIECI-ZIAGYGMSSA-N 3 1 241.423 1.458 20 0 BDADMP C[NH2+][C@@H]1CCN(c2cc[nH+]cc2Cl)C1 ZINC000150276736 639478208 /nfs/dbraw/zinc/47/82/08/639478208.db2.gz YSGNZRQFYICWRK-MRVPVSSYSA-N 2 1 211.696 1.533 20 0 BDADMP COC/C(C)=C/C[N@H+](C)CCC[NH+]1CCCC1 ZINC000930310078 639695182 /nfs/dbraw/zinc/69/51/82/639695182.db2.gz ALHGRYIZBKRAFL-VGOFMYFVSA-N 2 1 240.391 1.997 20 0 BDADMP COC/C(C)=C/C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000930310078 639695189 /nfs/dbraw/zinc/69/51/89/639695189.db2.gz ALHGRYIZBKRAFL-VGOFMYFVSA-N 2 1 240.391 1.997 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806707 639914405 /nfs/dbraw/zinc/91/44/05/639914405.db2.gz VMUCQXLYKZKJEW-ZDUSSCGKSA-N 2 1 249.358 1.365 20 0 BDADMP C[C@@H](C1CC1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931066264 640052622 /nfs/dbraw/zinc/05/26/22/640052622.db2.gz HRZIVFZWHHXMNQ-FZMZJTMJSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@H](C1CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076047 640058387 /nfs/dbraw/zinc/05/83/87/640058387.db2.gz MWLNFGIUDMBZGI-TZMCWYRMSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCCCCCC1 ZINC000037876898 711481051 /nfs/dbraw/zinc/48/10/51/711481051.db2.gz FZLIQMUSSZRDSU-ZDUSSCGKSA-N 2 1 228.380 1.611 20 0 BDADMP CSCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308455 640142589 /nfs/dbraw/zinc/14/25/89/640142589.db2.gz OCJJIFNVGAYLBL-TXEJJXNPSA-N 2 1 228.405 1.623 20 0 BDADMP CSCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308455 640142599 /nfs/dbraw/zinc/14/25/99/640142599.db2.gz OCJJIFNVGAYLBL-TXEJJXNPSA-N 2 1 228.405 1.623 20 0 BDADMP CSCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931308455 640142602 /nfs/dbraw/zinc/14/26/02/640142602.db2.gz OCJJIFNVGAYLBL-TXEJJXNPSA-N 2 1 228.405 1.623 20 0 BDADMP CSCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931308455 640142610 /nfs/dbraw/zinc/14/26/10/640142610.db2.gz OCJJIFNVGAYLBL-TXEJJXNPSA-N 2 1 228.405 1.623 20 0 BDADMP CSCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435166 640203666 /nfs/dbraw/zinc/20/36/66/640203666.db2.gz HUCVSVYPSFVLGZ-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP CSCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435166 640203669 /nfs/dbraw/zinc/20/36/69/640203669.db2.gz HUCVSVYPSFVLGZ-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP CSCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435166 640203673 /nfs/dbraw/zinc/20/36/73/640203673.db2.gz HUCVSVYPSFVLGZ-NWDGAFQWSA-N 2 1 228.405 1.623 20 0 BDADMP CCC1([NH+](C)C)CC[NH+](CCOC2CC2)CC1 ZINC000931471552 640228782 /nfs/dbraw/zinc/22/87/82/640228782.db2.gz NSCNNRYCJCSJNL-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CCOC3CC3)CC[C@H]21 ZINC000931548281 640266681 /nfs/dbraw/zinc/26/66/81/640266681.db2.gz XXXFOQYURXEDJO-WCQYABFASA-N 2 1 224.348 1.191 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCOC3CC3)CC[C@H]21 ZINC000931548281 640266686 /nfs/dbraw/zinc/26/66/86/640266686.db2.gz XXXFOQYURXEDJO-WCQYABFASA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCOC3CC3)CC[C@H]21 ZINC000931548281 640266691 /nfs/dbraw/zinc/26/66/91/640266691.db2.gz XXXFOQYURXEDJO-WCQYABFASA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCOC3CC3)CC[C@H]21 ZINC000931548281 640266697 /nfs/dbraw/zinc/26/66/97/640266697.db2.gz XXXFOQYURXEDJO-WCQYABFASA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCOC3CC3)CC[C@H]21 ZINC000931548281 640266704 /nfs/dbraw/zinc/26/67/04/640266704.db2.gz XXXFOQYURXEDJO-WCQYABFASA-N 2 1 224.348 1.191 20 0 BDADMP COC/C(C)=C/CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931547797 640268574 /nfs/dbraw/zinc/26/85/74/640268574.db2.gz SXSUORBFYONINC-AQIXGVPMSA-N 2 1 238.375 1.605 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717856 640333453 /nfs/dbraw/zinc/33/34/53/640333453.db2.gz DYTLSECSQDBEBE-DGAVXFQQSA-N 2 1 238.375 1.580 20 0 BDADMP CC[C@@H](CO)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000931763349 640355869 /nfs/dbraw/zinc/35/58/69/640355869.db2.gz GLSXFWDHJLNGMF-OLZOCXBDSA-N 2 1 249.358 1.363 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1O ZINC000226247252 640742207 /nfs/dbraw/zinc/74/22/07/640742207.db2.gz POQHGMVORACDBZ-ZIAGYGMSSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]([NH3+])CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000226317403 640748013 /nfs/dbraw/zinc/74/80/13/640748013.db2.gz XMJICVSSEPZGPS-RYUDHWBXSA-N 2 1 213.369 1.140 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734840 640758403 /nfs/dbraw/zinc/75/84/03/640758403.db2.gz SCQPXAGFTVPNRL-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734840 640758408 /nfs/dbraw/zinc/75/84/08/640758408.db2.gz SCQPXAGFTVPNRL-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734840 640758414 /nfs/dbraw/zinc/75/84/14/640758414.db2.gz SCQPXAGFTVPNRL-RFQIPJPRSA-N 2 1 238.375 1.295 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734338 640759183 /nfs/dbraw/zinc/75/91/83/640759183.db2.gz OGFFPACOXPYTHE-BFHYXJOUSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734338 640759186 /nfs/dbraw/zinc/75/91/86/640759186.db2.gz OGFFPACOXPYTHE-BFHYXJOUSA-N 2 1 240.391 1.277 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734338 640759192 /nfs/dbraw/zinc/75/91/92/640759192.db2.gz OGFFPACOXPYTHE-BFHYXJOUSA-N 2 1 240.391 1.277 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C=CCCC3)C[C@]2(C)C1 ZINC000933740559 640759527 /nfs/dbraw/zinc/75/95/27/640759527.db2.gz KUDIVDLZGCQZTG-MCIONIFRSA-N 2 1 220.360 1.979 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3C=CCCC3)C[C@]2(C)C1 ZINC000933740559 640759528 /nfs/dbraw/zinc/75/95/28/640759528.db2.gz KUDIVDLZGCQZTG-MCIONIFRSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C=CCCC3)C[C@]2(C)C1 ZINC000933740559 640759529 /nfs/dbraw/zinc/75/95/29/640759529.db2.gz KUDIVDLZGCQZTG-MCIONIFRSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3C=CCCC3)C[C@]2(C)C1 ZINC000933740559 640759534 /nfs/dbraw/zinc/75/95/34/640759534.db2.gz KUDIVDLZGCQZTG-MCIONIFRSA-N 2 1 220.360 1.979 20 0 BDADMP Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)nc(C)[nH+]1 ZINC000227076352 640810515 /nfs/dbraw/zinc/81/05/15/640810515.db2.gz LQCMOEKXANSVGH-GZMMTYOYSA-N 2 1 220.320 1.267 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)O1 ZINC000227065658 640813519 /nfs/dbraw/zinc/81/35/19/640813519.db2.gz UUZLDKVZQWIUJM-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCOCC1CC1 ZINC000087399792 640883457 /nfs/dbraw/zinc/88/34/57/640883457.db2.gz DSKVPQBRSFCGOZ-YPMHNXCESA-N 2 1 226.364 1.200 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000087651086 640957161 /nfs/dbraw/zinc/95/71/61/640957161.db2.gz PNAUEAATGFTNGZ-UHFFFAOYSA-N 2 1 210.708 1.919 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000934114092 641079996 /nfs/dbraw/zinc/07/99/96/641079996.db2.gz QIFPOBNAALDLAN-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000934114092 641079997 /nfs/dbraw/zinc/07/99/97/641079997.db2.gz QIFPOBNAALDLAN-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC[N@@H+](C[C@@H]1CCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862495 641101913 /nfs/dbraw/zinc/10/19/13/641101913.db2.gz RPHNSGDJAUULST-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000231072322 641135986 /nfs/dbraw/zinc/13/59/86/641135986.db2.gz GMWZRWSJVLPFRM-WTUNAVPPSA-N 2 1 240.391 1.608 20 0 BDADMP CC(C)OCCCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926130223 641197989 /nfs/dbraw/zinc/19/79/89/641197989.db2.gz MRRPIBLLGUTVOX-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)OCCCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926130223 641197995 /nfs/dbraw/zinc/19/79/95/641197995.db2.gz MRRPIBLLGUTVOX-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934621782 641211413 /nfs/dbraw/zinc/21/14/13/641211413.db2.gz LLUCYNSCKLWGPR-JHJVBQTASA-N 2 1 226.364 1.243 20 0 BDADMP C[C@H]1C[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261553186 641444882 /nfs/dbraw/zinc/44/48/82/641444882.db2.gz SHGKIVNOEZGYBT-KZKMVBDOSA-N 2 1 208.349 1.857 20 0 BDADMP CC[N@@H+](CCC[NH2+]C1CC1)C[C@H]1CCCO1 ZINC000042470412 641550908 /nfs/dbraw/zinc/55/09/08/641550908.db2.gz RCXHBRLWYJRTIS-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP Cn1cc(C[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000042489397 641553945 /nfs/dbraw/zinc/55/39/45/641553945.db2.gz CJJYCAAVRGLVJD-UHFFFAOYSA-N 2 1 224.352 1.371 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000158591349 641642104 /nfs/dbraw/zinc/64/21/04/641642104.db2.gz OHUVJQRKXFFCAO-LBPRGKRZSA-N 2 1 228.405 1.813 20 0 BDADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000090079515 641696423 /nfs/dbraw/zinc/69/64/23/641696423.db2.gz FRUWOLCPYSGRER-MCIONIFRSA-N 2 1 238.375 1.364 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC000914436357 641706048 /nfs/dbraw/zinc/70/60/48/641706048.db2.gz TXYNQEJQMLHREU-QWHCGFSZSA-N 2 1 224.348 1.095 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(F)nc1 ZINC000188960368 641779513 /nfs/dbraw/zinc/77/95/13/641779513.db2.gz NWGCOZJHHGXXLX-UHFFFAOYSA-N 2 1 239.338 1.898 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000232708467 641794595 /nfs/dbraw/zinc/79/45/95/641794595.db2.gz MSLBPHBVIHPQMT-AGIUHOORSA-N 2 1 210.365 1.962 20 0 BDADMP C[N@@H+](CCc1ccncc1)CC1CC[NH+](C)CC1 ZINC000154703656 642188493 /nfs/dbraw/zinc/18/84/93/642188493.db2.gz KMKXOIVBPAQRMY-UHFFFAOYSA-N 2 1 247.386 1.898 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257695553 642508296 /nfs/dbraw/zinc/50/82/96/642508296.db2.gz KCQAURRHXLWITB-NWDGAFQWSA-N 2 1 219.332 1.813 20 0 BDADMP CN(C)C1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000097929579 642641750 /nfs/dbraw/zinc/64/17/50/642641750.db2.gz ZHMHYZOMGABNEW-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000097929578 642643213 /nfs/dbraw/zinc/64/32/13/642643213.db2.gz ZHMHYZOMGABNEW-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP C[N@@H+](C[C@@H](O)C1CC1)CC1CC[NH+](C)CC1 ZINC000068909561 642808158 /nfs/dbraw/zinc/80/81/58/642808158.db2.gz YSCTXUSOTDLBQU-CYBMUJFWSA-N 2 1 226.364 1.031 20 0 BDADMP CN(CC[NH2+]C(C)(C)C)C[C@H]1CC[N@@H+](C)C1 ZINC000070821872 643073304 /nfs/dbraw/zinc/07/33/04/643073304.db2.gz RNWPQJVRWQFRAI-LBPRGKRZSA-N 2 1 227.396 1.258 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000036326933 643145687 /nfs/dbraw/zinc/14/56/87/643145687.db2.gz PGCKYAUQVISMQK-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CCC[N@@H+](CC)CCNC(NC1CC1)=[NH+]C ZINC000081781427 643293371 /nfs/dbraw/zinc/29/33/71/643293371.db2.gz AMKUNJUWICPQGV-UHFFFAOYSA-N 2 1 226.368 1.046 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843387047 643361911 /nfs/dbraw/zinc/36/19/11/643361911.db2.gz OAJCNBXGBAPRDE-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843387047 643361914 /nfs/dbraw/zinc/36/19/14/643361914.db2.gz OAJCNBXGBAPRDE-UONOGXRCSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000259083834 643382174 /nfs/dbraw/zinc/38/21/74/643382174.db2.gz RHYDPXCIFWTEEK-RYUDHWBXSA-N 2 1 248.326 1.427 20 0 BDADMP CC(C)CO[C@@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C ZINC000082923079 643388993 /nfs/dbraw/zinc/38/89/93/643388993.db2.gz MVOWZINHGMSRFG-WDEREUQCSA-N 2 1 214.353 1.374 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000083069211 643407114 /nfs/dbraw/zinc/40/71/14/643407114.db2.gz HSEAPEAEXIEFQY-ZDUSSCGKSA-N 3 1 227.396 1.389 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CS1 ZINC000307528171 643497329 /nfs/dbraw/zinc/49/73/29/643497329.db2.gz KTVNYEZXRDKEPU-RCWTZXSCSA-N 2 1 214.378 1.611 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846222444 643652142 /nfs/dbraw/zinc/65/21/42/643652142.db2.gz CTTNEWAQPHSHPG-HZSPNIEDSA-N 3 1 241.423 1.811 20 0 BDADMP COc1ccccc1C[NH2+]C1CC([NH3+])C1 ZINC000087651059 643665593 /nfs/dbraw/zinc/66/55/93/643665593.db2.gz JGPQEQQSHVRBTJ-UHFFFAOYSA-N 2 1 206.289 1.275 20 0 BDADMP CO[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000050368584 643690795 /nfs/dbraw/zinc/69/07/95/643690795.db2.gz JHMUZKBZONZGNM-YUSLTOFOSA-N 2 1 238.375 1.769 20 0 BDADMP COC(OC)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922314158 643966390 /nfs/dbraw/zinc/96/63/90/643966390.db2.gz VGHPAZINGXIUQX-GHMZBOCLSA-N 2 1 244.379 1.456 20 0 BDADMP COC(OC)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922314158 643966395 /nfs/dbraw/zinc/96/63/95/643966395.db2.gz VGHPAZINGXIUQX-GHMZBOCLSA-N 2 1 244.379 1.456 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@@H]1CCSC1)C[NH+](C)C ZINC000922754919 644087812 /nfs/dbraw/zinc/08/78/12/644087812.db2.gz VKDQJAFSHMDJCV-RYUDHWBXSA-N 2 1 246.420 1.296 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922820751 644110107 /nfs/dbraw/zinc/11/01/07/644110107.db2.gz JIDJALRDXCYLIM-MCIONIFRSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCS1 ZINC000922842489 644116509 /nfs/dbraw/zinc/11/65/09/644116509.db2.gz MBQIRCXXDWIJTH-ZYHUDNBSSA-N 2 1 228.405 1.954 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H](C)C(OC)OC)CC1 ZINC000079584848 644193599 /nfs/dbraw/zinc/19/35/99/644193599.db2.gz DWRLQBDNDRUXNI-NSHDSACASA-N 2 1 244.379 1.458 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000923279387 644310597 /nfs/dbraw/zinc/31/05/97/644310597.db2.gz NDDUJZBGXANQKP-HZSPNIEDSA-N 2 1 242.407 1.985 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000923279387 644310602 /nfs/dbraw/zinc/31/06/02/644310602.db2.gz NDDUJZBGXANQKP-HZSPNIEDSA-N 2 1 242.407 1.985 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923281606 644315980 /nfs/dbraw/zinc/31/59/80/644315980.db2.gz QGCMHXWGKKCCHC-CABCVRRESA-N 2 1 248.370 1.261 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000923286702 644319543 /nfs/dbraw/zinc/31/95/43/644319543.db2.gz MBFZALNKFVEWME-HNNXBMFYSA-N 2 1 248.370 1.274 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299984 644325840 /nfs/dbraw/zinc/32/58/40/644325840.db2.gz KMUILTYWRCTQLR-XQQFMLRXSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](CCC[NH3+])CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923290901 644326173 /nfs/dbraw/zinc/32/61/73/644326173.db2.gz MHZWECPWSWMVDJ-YHWZYXNKSA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000923291203 644326896 /nfs/dbraw/zinc/32/68/96/644326896.db2.gz BXILEJLBTMNWTM-NEPJUHHUSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000923291203 644326898 /nfs/dbraw/zinc/32/68/98/644326898.db2.gz BXILEJLBTMNWTM-NEPJUHHUSA-N 2 1 214.353 1.207 20 0 BDADMP CC(C)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923307995 644338594 /nfs/dbraw/zinc/33/85/94/644338594.db2.gz YOYIWIXEIVEKAK-LBPRGKRZSA-N 2 1 224.348 1.238 20 0 BDADMP CC1(C)CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923313942 644340705 /nfs/dbraw/zinc/34/07/05/644340705.db2.gz NNKMAOQGZPIBTQ-SRVKXCTJSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316589 644343127 /nfs/dbraw/zinc/34/31/27/644343127.db2.gz PJCHNKKIEMQXAJ-AGIUHOORSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923315059 644343421 /nfs/dbraw/zinc/34/34/21/644343421.db2.gz CZJVIXUCLJZWOA-FUDCBSFHSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315965 644343713 /nfs/dbraw/zinc/34/37/13/644343713.db2.gz AEVARYZDGBIKRR-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP CCC[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316325 644344008 /nfs/dbraw/zinc/34/40/08/644344008.db2.gz HQVYFYAJGDERCL-CYDGBPFRSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923315060 644345133 /nfs/dbraw/zinc/34/51/33/644345133.db2.gz CZJVIXUCLJZWOA-RLAWYHOSSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccc1 ZINC000923312050 644346926 /nfs/dbraw/zinc/34/69/26/644346926.db2.gz GYFTZPTYTIPSOH-UNQGMJICSA-N 2 1 248.370 1.573 20 0 BDADMP [NH3+]C1(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CCC1 ZINC000923330864 644349459 /nfs/dbraw/zinc/34/94/59/644349459.db2.gz CPQAZSGYQDFAQL-GFCCVEGCSA-N 2 1 238.306 1.330 20 0 BDADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cn[nH]c1 ZINC000923326338 644352425 /nfs/dbraw/zinc/35/24/25/644352425.db2.gz XWRPBIZAMLKKOV-QXMXGUDHSA-N 2 1 248.374 1.762 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923327505 644353141 /nfs/dbraw/zinc/35/31/41/644353141.db2.gz UEGNCLDZIYNGBG-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP CCOCCOCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348984 644362226 /nfs/dbraw/zinc/36/22/26/644362226.db2.gz NBAQPAKHFPHTTJ-ZDUSSCGKSA-N 2 1 244.379 1.100 20 0 BDADMP CCOCCOCC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923346453 644365363 /nfs/dbraw/zinc/36/53/63/644365363.db2.gz XZPOOYSZNRGUBX-STQMWFEESA-N 2 1 244.379 1.099 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923357945 644367891 /nfs/dbraw/zinc/36/78/91/644367891.db2.gz BMACFMBLMPQTSR-RDBSUJKOSA-N 2 1 240.391 1.467 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356894 644376290 /nfs/dbraw/zinc/37/62/90/644376290.db2.gz VOMRJNMLPGYGBM-KBPBESRZSA-N 2 1 242.407 1.988 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923366201 644377029 /nfs/dbraw/zinc/37/70/29/644377029.db2.gz KXQXNEFRXHFIFV-FRRDWIJNSA-N 2 1 228.380 1.597 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923366201 644377034 /nfs/dbraw/zinc/37/70/34/644377034.db2.gz KXQXNEFRXHFIFV-FRRDWIJNSA-N 2 1 228.380 1.597 20 0 BDADMP CC(C)OCC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923366931 644379351 /nfs/dbraw/zinc/37/93/51/644379351.db2.gz BFRRMDBCVXHIHY-NEPJUHHUSA-N 2 1 246.395 1.125 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923369681 644382254 /nfs/dbraw/zinc/38/22/54/644382254.db2.gz LGILNBPWNMXHFB-NWDGAFQWSA-N 2 1 230.396 1.747 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923371064 644384221 /nfs/dbraw/zinc/38/42/21/644384221.db2.gz UYIILKVCTPNOSM-YIYPIFLZSA-N 2 1 242.407 1.760 20 0 BDADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376297 644389399 /nfs/dbraw/zinc/38/93/99/644389399.db2.gz KSJGFIQKHKKEEC-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+]CCC1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923389797 644396050 /nfs/dbraw/zinc/39/60/50/644396050.db2.gz YJWBKGUWQCDXHD-UHFFFAOYSA-N 2 1 225.380 1.189 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923391915 644399323 /nfs/dbraw/zinc/39/93/23/644399323.db2.gz GRXAIOZNGAEZIO-AVGNSLFASA-N 2 1 228.380 1.595 20 0 BDADMP O[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923387482 644399826 /nfs/dbraw/zinc/39/98/26/644399826.db2.gz OOWKEXDUVYLEDR-WTUNAVPPSA-N 2 1 238.375 1.364 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392235 644400159 /nfs/dbraw/zinc/40/01/59/644400159.db2.gz IZNJGONEFMZTBT-ONGXEEELSA-N 2 1 237.347 1.857 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392235 644400163 /nfs/dbraw/zinc/40/01/63/644400163.db2.gz IZNJGONEFMZTBT-ONGXEEELSA-N 2 1 237.347 1.857 20 0 BDADMP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCC[NH2+]C2CC2)C1 ZINC000923395388 644402891 /nfs/dbraw/zinc/40/28/91/644402891.db2.gz KPZQKCDILAEZAK-KLPPZKSPSA-N 2 1 240.347 1.012 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923414401 644416370 /nfs/dbraw/zinc/41/63/70/644416370.db2.gz VANJMPDHTQEENJ-AGIUHOORSA-N 2 1 228.380 1.739 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000923414401 644416372 /nfs/dbraw/zinc/41/63/72/644416372.db2.gz VANJMPDHTQEENJ-AGIUHOORSA-N 2 1 228.380 1.739 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@H]1CC[NH3+] ZINC000923429075 644421741 /nfs/dbraw/zinc/42/17/41/644421741.db2.gz OHICOPDBWKAUQW-VXGBXAGGSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CC1CC[NH2+]CC1 ZINC000923435919 644427672 /nfs/dbraw/zinc/42/76/72/644427672.db2.gz KVSKKVHLMHUQKH-SDDRHHMPSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]1C[N@@H+](CCOC(F)F)CC[C@@H]1C[NH3+] ZINC000923490318 644465067 /nfs/dbraw/zinc/46/50/67/644465067.db2.gz MTXGLYDQUNKYHR-DTWKUNHWSA-N 2 1 222.279 1.142 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923483538 644460413 /nfs/dbraw/zinc/46/04/13/644460413.db2.gz BQSOALZRIBUBBG-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CCC1 ZINC000923488935 644465234 /nfs/dbraw/zinc/46/52/34/644465234.db2.gz IFISRAFHWNFFLO-MRVWCRGKSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490968 644465447 /nfs/dbraw/zinc/46/54/47/644465447.db2.gz PJTLIJUBLWJQHB-XQHKEYJVSA-N 2 1 226.364 1.328 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)nn1 ZINC000923490572 644465825 /nfs/dbraw/zinc/46/58/25/644465825.db2.gz DNLNAHJCOMEJAH-ZWNOBZJWSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000923492695 644467725 /nfs/dbraw/zinc/46/77/25/644467725.db2.gz CAHMSHVSMKXWBA-MFKMUULPSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccn1 ZINC000923491912 644468329 /nfs/dbraw/zinc/46/83/29/644468329.db2.gz VBKLJTVCZSWWPG-SMDDNHRTSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923491525 644468785 /nfs/dbraw/zinc/46/87/85/644468785.db2.gz IJNTWSCYKIBMPV-ONGXEEELSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000923493494 644471094 /nfs/dbraw/zinc/47/10/94/644471094.db2.gz HFJMTEISVLECLT-PWSUYJOCSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@H]1C[NH3+] ZINC000923494911 644471357 /nfs/dbraw/zinc/47/13/57/644471357.db2.gz QLSWUASYYNRDSC-RYUDHWBXSA-N 2 1 248.374 1.246 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nccs2)CC[C@@H]1C[NH3+] ZINC000923499859 644473434 /nfs/dbraw/zinc/47/34/34/644473434.db2.gz MNVSBTQMRLYCKX-VHSXEESVSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531100 644487951 /nfs/dbraw/zinc/48/79/51/644487951.db2.gz PBENCFQMKDWYFP-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(=O)[nH]1 ZINC000923554087 644494252 /nfs/dbraw/zinc/49/42/52/644494252.db2.gz MLVIBALJSUDZKM-GFCCVEGCSA-N 2 1 249.358 1.609 20 0 BDADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@@H]1CC[NH2+]C1 ZINC000923557676 644499792 /nfs/dbraw/zinc/49/97/92/644499792.db2.gz NESZQLVPTCYHNN-KGLIPLIRSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)C[C@H]1CN(C)CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923557676 644499796 /nfs/dbraw/zinc/49/97/96/644499796.db2.gz NESZQLVPTCYHNN-KGLIPLIRSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)C[C@H]1CN(C)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923557676 644499799 /nfs/dbraw/zinc/49/97/99/644499799.db2.gz NESZQLVPTCYHNN-KGLIPLIRSA-N 2 1 239.407 1.258 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000249952145 644744554 /nfs/dbraw/zinc/74/45/54/644744554.db2.gz ACHTYNPLBYCOLM-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252565349 644865265 /nfs/dbraw/zinc/86/52/65/644865265.db2.gz YUJMAAFWGKFQCS-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252565349 644865270 /nfs/dbraw/zinc/86/52/70/644865270.db2.gz YUJMAAFWGKFQCS-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140429 644886111 /nfs/dbraw/zinc/88/61/11/644886111.db2.gz NJCHDMBXKWQWLR-MGPQQGTHSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]1 ZINC000415140429 644886113 /nfs/dbraw/zinc/88/61/13/644886113.db2.gz NJCHDMBXKWQWLR-MGPQQGTHSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252746066 644896337 /nfs/dbraw/zinc/89/63/37/644896337.db2.gz BDUTZANBONMRHU-PBYDBYKOSA-N 2 1 226.364 1.361 20 0 BDADMP Cc1cccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[nH+]1 ZINC000252866648 644917674 /nfs/dbraw/zinc/91/76/74/644917674.db2.gz QLVLYBAGWLPYMM-AVGNSLFASA-N 2 1 231.343 1.954 20 0 BDADMP Cc1cccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[nH+]1 ZINC000252866650 644918222 /nfs/dbraw/zinc/91/82/22/644918222.db2.gz QLVLYBAGWLPYMM-RWMBFGLXSA-N 2 1 231.343 1.954 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccnnc1 ZINC000926574070 645291469 /nfs/dbraw/zinc/29/14/69/645291469.db2.gz UHIQSABBAHNSPA-STQMWFEESA-N 2 1 248.374 1.859 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOC(F)F)C2 ZINC000852752961 645487877 /nfs/dbraw/zinc/48/78/77/645487877.db2.gz SBCNEMATDAEOMJ-ONGXEEELSA-N 2 1 234.290 1.286 20 0 BDADMP CCO[C@H](C[NH2+]C(CC)CC)C[NH+](C)C ZINC000926961904 645502280 /nfs/dbraw/zinc/50/22/80/645502280.db2.gz KJYCLGMWHMLADO-GFCCVEGCSA-N 2 1 216.369 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCOC1(C)C)C[NH+](C)C ZINC000926962581 645502504 /nfs/dbraw/zinc/50/25/04/645502504.db2.gz QQRMGJURHGDEEZ-VXGBXAGGSA-N 2 1 244.379 1.110 20 0 BDADMP CCCNc1cc(N[C@@H]2CC[NH2+][C@H]2C)nc[nH+]1 ZINC000872779223 645769437 /nfs/dbraw/zinc/76/94/37/645769437.db2.gz QUAXKFOUJXFXEM-VHSXEESVSA-N 2 1 235.335 1.461 20 0 BDADMP C([C@H]1C[C@]12CCOC2)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000886839623 645891131 /nfs/dbraw/zinc/89/11/31/645891131.db2.gz IRASIUFKHFTBCF-OLZOCXBDSA-N 2 1 236.359 1.241 20 0 BDADMP C[NH+](C)CCCN[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924538489 646056435 /nfs/dbraw/zinc/05/64/35/646056435.db2.gz BAECESZWQYRNFE-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924538489 646056442 /nfs/dbraw/zinc/05/64/42/646056442.db2.gz BAECESZWQYRNFE-KBPBESRZSA-N 2 1 239.407 1.545 20 0 BDADMP c1cc(SCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000929313366 646072974 /nfs/dbraw/zinc/07/29/74/646072974.db2.gz WICAAWIWIYDPMU-VXGBXAGGSA-N 2 1 249.383 1.325 20 0 BDADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)CO ZINC000924714150 646092790 /nfs/dbraw/zinc/09/27/90/646092790.db2.gz AFXWRWVLPFVRHH-CMPLNLGQSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C(C)(C)CO ZINC000924714153 646093435 /nfs/dbraw/zinc/09/34/35/646093435.db2.gz AFXWRWVLPFVRHH-JQWIXIFHSA-N 2 1 228.380 1.323 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C(C)(C)CO ZINC000924954522 646139228 /nfs/dbraw/zinc/13/92/28/646139228.db2.gz IWZDJDDKWWIYJK-NWDGAFQWSA-N 2 1 230.396 1.713 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C(C)(C)CO ZINC000924954523 646140666 /nfs/dbraw/zinc/14/06/66/646140666.db2.gz IWZDJDDKWWIYJK-RYUDHWBXSA-N 2 1 230.396 1.713 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000924959676 646144392 /nfs/dbraw/zinc/14/43/92/646144392.db2.gz LEFPRQIJNGFDGM-HZSPNIEDSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)CO ZINC000925143579 646192164 /nfs/dbraw/zinc/19/21/64/646192164.db2.gz QWLSSBKLLNMXER-WOPDTQHZSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)CO ZINC000925143579 646192167 /nfs/dbraw/zinc/19/21/67/646192167.db2.gz QWLSSBKLLNMXER-WOPDTQHZSA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@H](CO)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689125 646246645 /nfs/dbraw/zinc/24/66/45/646246645.db2.gz BWJPJHIFSDRIBD-KGLIPLIRSA-N 2 1 240.391 1.708 20 0 BDADMP O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925500363 646303775 /nfs/dbraw/zinc/30/37/75/646303775.db2.gz DQHKORJYLIZSNL-IJLUTSLNSA-N 2 1 224.348 1.164 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000929790536 646321103 /nfs/dbraw/zinc/32/11/03/646321103.db2.gz KIUZDOPGOCBZRU-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](CO)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000929790536 646321109 /nfs/dbraw/zinc/32/11/09/646321109.db2.gz KIUZDOPGOCBZRU-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@@H](CO)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000929790536 646321116 /nfs/dbraw/zinc/32/11/16/646321116.db2.gz KIUZDOPGOCBZRU-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CSCCS1 ZINC000925539264 646322117 /nfs/dbraw/zinc/32/21/17/646322117.db2.gz AOQHOMTWYAEFGR-VHSXEESVSA-N 2 1 246.445 1.565 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2(C)C)C[N@H+]1C1CC1 ZINC000925542188 646325085 /nfs/dbraw/zinc/32/50/85/646325085.db2.gz NZMZVCXGVNYZIW-MDZLAQPJSA-N 2 1 237.391 1.342 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925557291 646333818 /nfs/dbraw/zinc/33/38/18/646333818.db2.gz NNRGJZMCIRLZDF-OLZOCXBDSA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)N(C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925557291 646333822 /nfs/dbraw/zinc/33/38/22/646333822.db2.gz NNRGJZMCIRLZDF-OLZOCXBDSA-N 2 1 241.423 1.822 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000925573801 646342262 /nfs/dbraw/zinc/34/22/62/646342262.db2.gz PMMOMDBYOQFWEF-AWEZNQCLSA-N 2 1 245.370 1.807 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925573823 646342695 /nfs/dbraw/zinc/34/26/95/646342695.db2.gz PXPXKNBLAQPMIG-OLZOCXBDSA-N 2 1 239.407 1.591 20 0 BDADMP c1[nH]nc2c1C[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000925585693 646346498 /nfs/dbraw/zinc/34/64/98/646346498.db2.gz VBZQHTZWKDSPPX-WCQYABFASA-N 2 1 246.358 1.141 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925609350 646359680 /nfs/dbraw/zinc/35/96/80/646359680.db2.gz TVBPDIGGXICSGA-VXGBXAGGSA-N 2 1 226.364 1.412 20 0 BDADMP Cc1ncc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)s1 ZINC000925615781 646363108 /nfs/dbraw/zinc/36/31/08/646363108.db2.gz IKJVHTRQQCZHDX-CABZTGNLSA-N 2 1 239.388 1.724 20 0 BDADMP Cc1occc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925615907 646363279 /nfs/dbraw/zinc/36/32/79/646363279.db2.gz JIMWNKYIDWDMIA-NEPJUHHUSA-N 2 1 220.316 1.948 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925622742 646369418 /nfs/dbraw/zinc/36/94/18/646369418.db2.gz MQUHDJVSCTUAAW-IHRRRGAJSA-N 2 1 242.407 1.904 20 0 BDADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925625272 646371564 /nfs/dbraw/zinc/37/15/64/646371564.db2.gz HGCUWDVDBBNKLB-AGIUHOORSA-N 2 1 242.407 1.760 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925635892 646379975 /nfs/dbraw/zinc/37/99/75/646379975.db2.gz USTUZEPLGZKPMB-GARJFASQSA-N 2 1 212.337 1.020 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000925640936 646382365 /nfs/dbraw/zinc/38/23/65/646382365.db2.gz VTNAZYWJNULYDT-CQSZACIVSA-N 2 1 230.355 1.884 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925649574 646390417 /nfs/dbraw/zinc/39/04/17/646390417.db2.gz LLNFIRLDOQGKPY-NWDGAFQWSA-N 2 1 228.380 1.658 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCOC[C@H]1C ZINC000925671656 646400996 /nfs/dbraw/zinc/40/09/96/646400996.db2.gz SHTXOVCQNMTDIF-FDYHWXHSSA-N 2 1 226.364 1.389 20 0 BDADMP CC(F)(F)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925681919 646408460 /nfs/dbraw/zinc/40/84/60/646408460.db2.gz YRLHFVFFFOLZSE-QMMMGPOBSA-N 2 1 206.280 1.762 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925697609 646421452 /nfs/dbraw/zinc/42/14/52/646421452.db2.gz YJFJHCAAYPMQNZ-YFKTTZPYSA-N 2 1 212.337 1.284 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CC1 ZINC000925699448 646423775 /nfs/dbraw/zinc/42/37/75/646423775.db2.gz OWGVAQYZEJMTKG-FQUUOJAGSA-N 2 1 238.375 1.519 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000925701273 646425007 /nfs/dbraw/zinc/42/50/07/646425007.db2.gz WSLJYMJJDAUWOW-AVGNSLFASA-N 2 1 239.407 1.482 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925701728 646425464 /nfs/dbraw/zinc/42/54/64/646425464.db2.gz DSPSYDBJDWJWOO-TUAOUCFPSA-N 2 1 225.380 1.057 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000925701621 646425677 /nfs/dbraw/zinc/42/56/77/646425677.db2.gz CGNFJIBNCSOWIV-GXTWGEPZSA-N 2 1 245.370 1.753 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NCCC[C@H]1CCC[NH2+]1 ZINC000925703644 646427201 /nfs/dbraw/zinc/42/72/01/646427201.db2.gz DOQPHWUJTROYQR-NEPJUHHUSA-N 2 1 225.380 1.249 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000925706673 646430699 /nfs/dbraw/zinc/43/06/99/646430699.db2.gz KGQLQIADNDXELL-XQQFMLRXSA-N 3 1 225.380 1.249 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000925706606 646431135 /nfs/dbraw/zinc/43/11/35/646431135.db2.gz NJNQHBRVRMBSFT-AAEUAGOBSA-N 3 1 239.407 1.624 20 0 BDADMP COCC1(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925706945 646431550 /nfs/dbraw/zinc/43/15/50/646431550.db2.gz PISPXENKDJTFLJ-NEPJUHHUSA-N 2 1 226.364 1.533 20 0 BDADMP CC(C)(F)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925707386 646432429 /nfs/dbraw/zinc/43/24/29/646432429.db2.gz IJRKPCIRUJHKTA-VIFPVBQESA-N 2 1 202.317 1.855 20 0 BDADMP CC(C)(F)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925707385 646432745 /nfs/dbraw/zinc/43/27/45/646432745.db2.gz IJRKPCIRUJHKTA-SECBINFHSA-N 2 1 202.317 1.855 20 0 BDADMP CCC(C)(C)[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925710970 646437050 /nfs/dbraw/zinc/43/70/50/646437050.db2.gz YOQJDKNQFZQARV-WDEREUQCSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000925729179 646453136 /nfs/dbraw/zinc/45/31/36/646453136.db2.gz JEJFBKQRQKPVLP-TUAOUCFPSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cc2n(n1)CCC2 ZINC000925736851 646460048 /nfs/dbraw/zinc/46/00/48/646460048.db2.gz DJEJPTLDCSWYHF-JTQLQIEISA-N 2 1 236.363 1.607 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@H](C)C[C@H](C)[NH3+])CC1 ZINC000925761804 646466531 /nfs/dbraw/zinc/46/65/31/646466531.db2.gz ZITBFEKQLRUANH-WDEREUQCSA-N 3 1 213.369 1.316 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000925781092 646477157 /nfs/dbraw/zinc/47/71/57/646477157.db2.gz CZNFSGDZIPGIKY-VEGXAWMVSA-N 2 1 238.375 1.388 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(=O)[nH]n1 ZINC000925779710 646477900 /nfs/dbraw/zinc/47/79/00/646477900.db2.gz OUXOGVBTZQBHRS-LPEHRKFASA-N 2 1 236.319 1.103 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CNCCC1(F)F ZINC000925779684 646477907 /nfs/dbraw/zinc/47/79/07/646477907.db2.gz ZJPLSTSAMWQNIS-GHMZBOCLSA-N 2 1 249.349 1.338 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cncs1 ZINC000925791786 646484909 /nfs/dbraw/zinc/48/49/09/646484909.db2.gz SEYTWZKHVYWTSJ-BBBLOLIVSA-N 2 1 225.361 1.649 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1c[nH+]ccc1N ZINC000925802123 646487416 /nfs/dbraw/zinc/48/74/16/646487416.db2.gz DPVZVGNQTYMKAU-IJLUTSLNSA-N 3 1 248.374 1.390 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925815692 646491416 /nfs/dbraw/zinc/49/14/16/646491416.db2.gz YNRUNZMHOSAINK-IJLUTSLNSA-N 2 1 235.331 1.213 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1(Cl)CC1 ZINC000925814790 646492767 /nfs/dbraw/zinc/49/27/67/646492767.db2.gz QAGZFGIEMDACGA-NXEZZACHSA-N 2 1 239.750 1.947 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925831015 646501767 /nfs/dbraw/zinc/50/17/67/646501767.db2.gz LOFRSAPALZGQAS-XHJNMGKDSA-N 2 1 236.359 1.165 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCc2cccnc21)C1C[NH2+]C1 ZINC000925872702 646524935 /nfs/dbraw/zinc/52/49/35/646524935.db2.gz XZQVEUPPKOHTBW-GWCFXTLKSA-N 2 1 231.343 1.657 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000925880105 646528738 /nfs/dbraw/zinc/52/87/38/646528738.db2.gz ODKNLYZSTGQSKN-FVCCEPFGSA-N 2 1 225.380 1.234 20 0 BDADMP C[C@@H]1CC2(CC([NH2+]CCc3c[nH+]cn3C)C2)CO1 ZINC000926202128 646594149 /nfs/dbraw/zinc/59/41/49/646594149.db2.gz BHALLMPIUADEFE-LKSINWNRSA-N 2 1 249.358 1.510 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000926259821 646607308 /nfs/dbraw/zinc/60/73/08/646607308.db2.gz QHHHUQAJSWHFGA-RQICVUQASA-N 2 1 238.375 1.077 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000723704949 711535359 /nfs/dbraw/zinc/53/53/59/711535359.db2.gz MSFKPBCFAZVLBZ-MRVPVSSYSA-N 2 1 245.779 1.967 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000382657874 711546478 /nfs/dbraw/zinc/54/64/78/711546478.db2.gz HXTFGXORLCLNEC-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1C ZINC000382657874 711546480 /nfs/dbraw/zinc/54/64/80/711546480.db2.gz HXTFGXORLCLNEC-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1CC[NH3+] ZINC000723910927 711544569 /nfs/dbraw/zinc/54/45/69/711544569.db2.gz YVKIKLNCQGIFIV-NXEZZACHSA-N 2 1 225.361 1.560 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723908237 711545225 /nfs/dbraw/zinc/54/52/25/711545225.db2.gz FNXSDJNFDUBCJF-BXKDBHETSA-N 2 1 237.347 1.708 20 0 BDADMP COCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396585935 711702012 /nfs/dbraw/zinc/70/20/12/711702012.db2.gz HPCOPAKRDDQHLJ-RYUDHWBXSA-N 2 1 226.364 1.533 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000069724482 711893487 /nfs/dbraw/zinc/89/34/87/711893487.db2.gz JTOHZEBWKOOZBW-FWYAXHSGSA-N 2 1 202.729 1.800 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000721928834 711937950 /nfs/dbraw/zinc/93/79/50/711937950.db2.gz VQDLSSMZUJPJGR-ZDEQEGDKSA-N 2 1 226.364 1.328 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccn1 ZINC000703503964 712077152 /nfs/dbraw/zinc/07/71/52/712077152.db2.gz RKQPQRUIVIWXOL-ZDUSSCGKSA-N 2 1 219.332 1.561 20 0 BDADMP C[NH+]1C[C@@]2(C)C[NH+](CCCCCO)C[C@]2(C)C1 ZINC000705664817 712134969 /nfs/dbraw/zinc/13/49/69/712134969.db2.gz CBAGGCXDSMLKFM-KBPBESRZSA-N 2 1 240.391 1.423 20 0 BDADMP C[N@H+](C[C@@H]1CC(C)(C)CO1)[C@@H](C[NH3+])C1CC1 ZINC000708325451 712187631 /nfs/dbraw/zinc/18/76/31/712187631.db2.gz WZWGUKDVQXIKMY-RYUDHWBXSA-N 2 1 226.364 1.471 20 0 BDADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)[C@@H](C[NH3+])C1CC1 ZINC000708325451 712187632 /nfs/dbraw/zinc/18/76/32/712187632.db2.gz WZWGUKDVQXIKMY-RYUDHWBXSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000708340095 712189046 /nfs/dbraw/zinc/18/90/46/712189046.db2.gz XYDXLFVEEQRMGS-VXGBXAGGSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CC(C)(C)C1 ZINC000708817968 712199562 /nfs/dbraw/zinc/19/95/62/712199562.db2.gz GOBPLNCMYZWZTJ-RWMBFGLXSA-N 2 1 242.407 1.713 20 0 BDADMP C[N@H+](CC[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000710236757 712248570 /nfs/dbraw/zinc/24/85/70/712248570.db2.gz CPJQEYGKXQEYOD-SNVBAGLBSA-N 2 1 214.353 1.471 20 0 BDADMP C[N@@H+](CC[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000710236757 712248572 /nfs/dbraw/zinc/24/85/72/712248572.db2.gz CPJQEYGKXQEYOD-SNVBAGLBSA-N 2 1 214.353 1.471 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC2(OC)OC)C1 ZINC000710959218 712268522 /nfs/dbraw/zinc/26/85/22/712268522.db2.gz LFSMURHBGHCLEN-VXGBXAGGSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC2(OC)OC)C1 ZINC000710959218 712268524 /nfs/dbraw/zinc/26/85/24/712268524.db2.gz LFSMURHBGHCLEN-VXGBXAGGSA-N 2 1 242.363 1.069 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC2(OC)OC)C1 ZINC000710959218 712268527 /nfs/dbraw/zinc/26/85/27/712268527.db2.gz LFSMURHBGHCLEN-VXGBXAGGSA-N 2 1 242.363 1.069 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711754301 712324795 /nfs/dbraw/zinc/32/47/95/712324795.db2.gz UDRAYRKKLQBKEE-MNOVXSKESA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]([NH3+])CCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712668305 712439986 /nfs/dbraw/zinc/43/99/86/712439986.db2.gz IIHSZRZCOZDFEZ-NSHDSACASA-N 2 1 241.379 1.057 20 0 BDADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CCCCO1 ZINC000712555155 712445261 /nfs/dbraw/zinc/44/52/61/712445261.db2.gz RGBHEUXSMVFHAG-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC000715518684 712524919 /nfs/dbraw/zinc/52/49/19/712524919.db2.gz FPPNIQBLVZFPNQ-YTWAJWBKSA-N 2 1 230.302 1.571 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccns1 ZINC000715994436 712551237 /nfs/dbraw/zinc/55/12/37/712551237.db2.gz ZKGXVPWZDAIPGB-VIFPVBQESA-N 2 1 236.344 1.999 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CCC2(CCC2)CO1 ZINC000716296067 712553648 /nfs/dbraw/zinc/55/36/48/712553648.db2.gz VSVDVTHDGJZLIY-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC2(CCC2)CO1 ZINC000716296067 712553649 /nfs/dbraw/zinc/55/36/49/712553649.db2.gz VSVDVTHDGJZLIY-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]([NH2+]CCC1(C)OCCO1)[C@@H]1CCCC[NH2+]1 ZINC000716002388 712552137 /nfs/dbraw/zinc/55/21/37/712552137.db2.gz ZCVITBJFUHWVNH-NEPJUHHUSA-N 2 1 242.363 1.260 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719845562 712825536 /nfs/dbraw/zinc/82/55/36/712825536.db2.gz JPFRHGWSZWGILN-GHMZBOCLSA-N 2 1 239.388 1.745 20 0 BDADMP Cc1conc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000720377209 712836913 /nfs/dbraw/zinc/83/69/13/712836913.db2.gz AOASODOGOUBCCY-UHFFFAOYSA-N 2 1 223.320 1.685 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000723795750 710731626 /nfs/dbraw/zinc/73/16/26/710731626.db2.gz QOJHBSWHKQPYDM-MGPQQGTHSA-N 2 1 242.407 1.667 20 0 BDADMP FC1(F)CC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000393844943 710811492 /nfs/dbraw/zinc/81/14/92/710811492.db2.gz ZXQTXKQBNJICBD-SDDRHHMPSA-N 2 1 244.329 1.963 20 0 BDADMP C[C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[N@@H+](C)C1CC1 ZINC000385550157 711014243 /nfs/dbraw/zinc/01/42/43/711014243.db2.gz WVNFLTDWXRPJLT-DHIIWHAXSA-N 2 1 249.402 1.055 20 0 BDADMP c1cncc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000385619301 711015617 /nfs/dbraw/zinc/01/56/17/711015617.db2.gz PSRGNPYXLUGCPE-BTFPBAQTSA-N 2 1 243.354 1.210 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]cc3CO)C2)C1 ZINC000386613260 711033782 /nfs/dbraw/zinc/03/37/82/711033782.db2.gz MUZKWXGMQMSWNQ-CQSZACIVSA-N 2 1 247.342 1.106 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccoc2)CC1 ZINC000389927636 711098627 /nfs/dbraw/zinc/09/86/27/711098627.db2.gz XOEIBTGOIGQOEK-UHFFFAOYSA-N 2 1 206.289 1.631 20 0 BDADMP CC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000390446228 711117318 /nfs/dbraw/zinc/11/73/18/711117318.db2.gz XRNPZOMWPCLJAR-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP CC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000390446228 711117321 /nfs/dbraw/zinc/11/73/21/711117321.db2.gz XRNPZOMWPCLJAR-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)CNC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000392871144 711154099 /nfs/dbraw/zinc/15/40/99/711154099.db2.gz JCMVLSBTOHCUJB-UHFFFAOYSA-N 2 1 224.352 1.018 20 0 BDADMP CC(C)CNC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000392871144 711154102 /nfs/dbraw/zinc/15/41/02/711154102.db2.gz JCMVLSBTOHCUJB-UHFFFAOYSA-N 2 1 224.352 1.018 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000393661163 711168556 /nfs/dbraw/zinc/16/85/56/711168556.db2.gz WPZCMPXYQZSFKU-HLTSFMKQSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000393661163 711168557 /nfs/dbraw/zinc/16/85/57/711168557.db2.gz WPZCMPXYQZSFKU-HLTSFMKQSA-N 2 1 206.280 1.699 20 0 BDADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)O ZINC000394013836 711181713 /nfs/dbraw/zinc/18/17/13/711181713.db2.gz DEBNBHMGOZQSTA-WVMKXHBISA-N 2 1 240.391 1.751 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396602269 711353394 /nfs/dbraw/zinc/35/33/94/711353394.db2.gz HKOZRQJFUHOCKH-XQQFMLRXSA-N 2 1 227.396 1.447 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000396602691 711358720 /nfs/dbraw/zinc/35/87/20/711358720.db2.gz BJGRAVNUFKNLLE-NEPJUHHUSA-N 3 1 213.369 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCOCC1 ZINC000396611740 711359425 /nfs/dbraw/zinc/35/94/25/711359425.db2.gz RCVPPPBLOSLYHS-CMPLNLGQSA-N 2 1 212.337 1.143 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396674317 711364846 /nfs/dbraw/zinc/36/48/46/711364846.db2.gz RYSNWMUKOKHQCU-JHJVBQTASA-N 2 1 228.380 1.515 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396716414 711367266 /nfs/dbraw/zinc/36/72/66/711367266.db2.gz RIFCLHWTZZYDRK-YNEHKIRRSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397291394 711380015 /nfs/dbraw/zinc/38/00/15/711380015.db2.gz AIBHNLYKEOBXGU-BJDJZHNGSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)C[NH2+]1 ZINC000398989357 711417297 /nfs/dbraw/zinc/41/72/97/711417297.db2.gz JLSJACCNWDOZPL-WOPDTQHZSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000399265439 711425579 /nfs/dbraw/zinc/42/55/79/711425579.db2.gz RHNRSYUGMLUVJM-YUMQZZPRSA-N 2 1 225.163 1.849 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)C1CC1 ZINC000381326868 710622534 /nfs/dbraw/zinc/62/25/34/710622534.db2.gz RJOCASQQZIZWDB-OLZOCXBDSA-N 2 1 226.364 1.221 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)C(C)C ZINC000721915816 710690728 /nfs/dbraw/zinc/69/07/28/710690728.db2.gz VUGPUCOZTGRKBL-AGIUHOORSA-N 2 1 228.380 1.717 20 0 BDADMP COC[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C)C(C)C ZINC000721917003 710692444 /nfs/dbraw/zinc/69/24/44/710692444.db2.gz HDPRWQHSSZTKHC-WOPDTQHZSA-N 2 1 214.353 1.327 20 0 BDADMP COC[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@H]1C)C(C)C ZINC000721917003 710692446 /nfs/dbraw/zinc/69/24/46/710692446.db2.gz HDPRWQHSSZTKHC-WOPDTQHZSA-N 2 1 214.353 1.327 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396650277 711362675 /nfs/dbraw/zinc/36/26/75/711362675.db2.gz DHAJQMJFPQXGSI-IJLUTSLNSA-N 2 1 214.353 1.125 20 0 BDADMP COCCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396640048 711363756 /nfs/dbraw/zinc/36/37/56/711363756.db2.gz MNBJAVMYQDDDNR-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396668656 711365019 /nfs/dbraw/zinc/36/50/19/711365019.db2.gz PTYNHDWCXHOAJJ-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396678039 711365403 /nfs/dbraw/zinc/36/54/03/711365403.db2.gz USEKGHZMXKFUCG-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396728343 711367030 /nfs/dbraw/zinc/36/70/30/711367030.db2.gz XEOHBBFIMQZYOT-YNEHKIRRSA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396728341 711369620 /nfs/dbraw/zinc/36/96/20/711369620.db2.gz XEOHBBFIMQZYOT-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](CF)C2)CC[NH2+]1 ZINC000711467069 711462512 /nfs/dbraw/zinc/46/25/12/711462512.db2.gz SIGXCGTWOFYKRH-IJLUTSLNSA-N 2 1 214.328 1.666 20 0 BDADMP CO[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C ZINC000717984590 711492689 /nfs/dbraw/zinc/49/26/89/711492689.db2.gz MSPWSZALLZWYSW-RNJOBUHISA-N 2 1 226.364 1.471 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000050249297 711493841 /nfs/dbraw/zinc/49/38/41/711493841.db2.gz ASTSOWGIOCLJMS-DGCLKSJQSA-N 2 1 220.316 1.001 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891468 711543942 /nfs/dbraw/zinc/54/39/42/711543942.db2.gz NJGLIMASENSHNW-ZYHUDNBSSA-N 2 1 236.363 1.145 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902325 711544727 /nfs/dbraw/zinc/54/47/27/711544727.db2.gz VIPIFLFZXKTQDV-CHWSQXEVSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)O1 ZINC000723916496 711544957 /nfs/dbraw/zinc/54/49/57/711544957.db2.gz WWIDUBUTGXIHPO-YVECIDJPSA-N 2 1 226.364 1.471 20 0 BDADMP COCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901355 711545003 /nfs/dbraw/zinc/54/50/03/711545003.db2.gz FYWUXYSTDKHXPQ-IJLUTSLNSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1cn(C)nc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000723962717 711547558 /nfs/dbraw/zinc/54/75/58/711547558.db2.gz GIAUOCCMTACWFJ-JSGCOSHPSA-N 2 1 248.374 1.289 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000723962717 711547560 /nfs/dbraw/zinc/54/75/60/711547560.db2.gz GIAUOCCMTACWFJ-JSGCOSHPSA-N 2 1 248.374 1.289 20 0 BDADMP CCC[N@H+]1CC[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000891967020 711563028 /nfs/dbraw/zinc/56/30/28/711563028.db2.gz CNQDIYXDBBOIHK-GFCCVEGCSA-N 2 1 249.358 1.140 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(C)(C)CO ZINC000926573989 711653596 /nfs/dbraw/zinc/65/35/96/711653596.db2.gz RDXIELZMQUBJDN-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000396722085 711703335 /nfs/dbraw/zinc/70/33/35/711703335.db2.gz UISSNAOLXZGOLH-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CC2)CCCO1 ZINC000313348411 711718653 /nfs/dbraw/zinc/71/86/53/711718653.db2.gz UEZPRZDCBFBULJ-LBPRGKRZSA-N 2 1 212.337 1.226 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])C[C@H]1CCOC1 ZINC000398947714 711742212 /nfs/dbraw/zinc/74/22/12/711742212.db2.gz MECIVKJFXGUDKW-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000530219396 711937780 /nfs/dbraw/zinc/93/77/80/711937780.db2.gz PLUFELCQUHFXFA-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000530219396 711937781 /nfs/dbraw/zinc/93/77/81/711937781.db2.gz PLUFELCQUHFXFA-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H](OC)C1 ZINC000721929401 711938963 /nfs/dbraw/zinc/93/89/63/711938963.db2.gz ZSOZUYNXPBLADX-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H](OC)C1 ZINC000721929401 711938965 /nfs/dbraw/zinc/93/89/65/711938965.db2.gz ZSOZUYNXPBLADX-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700382835 711991242 /nfs/dbraw/zinc/99/12/42/711991242.db2.gz GIZSLBQXQAWAJM-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)COCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702064582 712037536 /nfs/dbraw/zinc/03/75/36/712037536.db2.gz MZUSTHRZJKDAOW-QWHCGFSZSA-N 2 1 226.364 1.200 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702064582 712037537 /nfs/dbraw/zinc/03/75/37/712037537.db2.gz MZUSTHRZJKDAOW-QWHCGFSZSA-N 2 1 226.364 1.200 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCCCCCO)C[C@]2(C)C1 ZINC000702300192 712043824 /nfs/dbraw/zinc/04/38/24/712043824.db2.gz CETBAOSQTMXOQC-KGLIPLIRSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCCCCO)C[C@]2(C)C1 ZINC000702300192 712043825 /nfs/dbraw/zinc/04/38/25/712043825.db2.gz CETBAOSQTMXOQC-KGLIPLIRSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCCCO)C[C@]2(C)C1 ZINC000702300192 712043827 /nfs/dbraw/zinc/04/38/27/712043827.db2.gz CETBAOSQTMXOQC-KGLIPLIRSA-N 2 1 240.391 1.423 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)C[C@]2(C)C1 ZINC000702300215 712043900 /nfs/dbraw/zinc/04/39/00/712043900.db2.gz DGMLJBUFPNYHHJ-BZPMIXESSA-N 2 1 240.391 1.277 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C(C)(C)C)C[C@]2(C)C1 ZINC000702300215 712043901 /nfs/dbraw/zinc/04/39/01/712043901.db2.gz DGMLJBUFPNYHHJ-BZPMIXESSA-N 2 1 240.391 1.277 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@]2(C)C1 ZINC000702300215 712043902 /nfs/dbraw/zinc/04/39/02/712043902.db2.gz DGMLJBUFPNYHHJ-BZPMIXESSA-N 2 1 240.391 1.277 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(C)(O)CC1 ZINC000703009719 712064535 /nfs/dbraw/zinc/06/45/35/712064535.db2.gz LJSWCWOWCQBWHK-UHFFFAOYSA-N 2 1 237.347 1.475 20 0 BDADMP COC(=O)CC(C)(C)[NH2+]CCn1cc[nH+]c1C ZINC000703272198 712069049 /nfs/dbraw/zinc/06/90/49/712069049.db2.gz FCFLLKGZNZJLKW-UHFFFAOYSA-N 2 1 239.319 1.123 20 0 BDADMP CCC(CC)[N@@H+](CCOC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000703438249 712076829 /nfs/dbraw/zinc/07/68/29/712076829.db2.gz PBXTUGWNNRKDHL-TXEJJXNPSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@H+](Cc1ccsc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000703535988 712078009 /nfs/dbraw/zinc/07/80/09/712078009.db2.gz VNFBMMHPDMRBJZ-PHIMTYICSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(O)c1)C2 ZINC000703557953 712078658 /nfs/dbraw/zinc/07/86/58/712078658.db2.gz IRXQNZMDWMAIIY-GXTWGEPZSA-N 2 1 232.327 1.434 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc(O)c1)C2 ZINC000703557953 712078659 /nfs/dbraw/zinc/07/86/59/712078659.db2.gz IRXQNZMDWMAIIY-GXTWGEPZSA-N 2 1 232.327 1.434 20 0 BDADMP Cc1cccc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[nH+]1 ZINC000703538212 712078845 /nfs/dbraw/zinc/07/88/45/712078845.db2.gz HQJYVQPEKJNJFR-WCQYABFASA-N 2 1 217.316 1.436 20 0 BDADMP CC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705108581 712122609 /nfs/dbraw/zinc/12/26/09/712122609.db2.gz VGESERPXXUIVPQ-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000705108581 712122605 /nfs/dbraw/zinc/12/26/05/712122605.db2.gz VGESERPXXUIVPQ-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000705108581 712122607 /nfs/dbraw/zinc/12/26/07/712122607.db2.gz VGESERPXXUIVPQ-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000705138799 712123332 /nfs/dbraw/zinc/12/33/32/712123332.db2.gz RQCGTQLMUAVMTH-QWRGUYRKSA-N 2 1 249.349 1.243 20 0 BDADMP CSC1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000706896566 712159370 /nfs/dbraw/zinc/15/93/70/712159370.db2.gz AOBFNKZOHGZHGT-QYNFOATHSA-N 2 1 228.405 1.953 20 0 BDADMP CSC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000706896566 712159371 /nfs/dbraw/zinc/15/93/71/712159371.db2.gz AOBFNKZOHGZHGT-QYNFOATHSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708348306 712190370 /nfs/dbraw/zinc/19/03/70/712190370.db2.gz MLFOAIQXHICKMT-FRRDWIJNSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cccs2)C[C@H]1C[NH3+] ZINC000708862645 712201135 /nfs/dbraw/zinc/20/11/35/712201135.db2.gz PNXQNHKANZFPMT-WDEREUQCSA-N 2 1 224.373 1.817 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000709033887 712206165 /nfs/dbraw/zinc/20/61/65/712206165.db2.gz BQLNGAJZZHUPPT-FIQHERPVSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2ccns2)CC[N@H+]1C ZINC000709826016 712228601 /nfs/dbraw/zinc/22/86/01/712228601.db2.gz OSWSUXXEHZAVER-WDEREUQCSA-N 2 1 239.388 1.758 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccccc1)C2 ZINC000709851720 712229828 /nfs/dbraw/zinc/22/98/28/712229828.db2.gz DTOFRJOZYHWFSU-MJBXVCDLSA-N 2 1 246.354 1.877 20 0 BDADMP [NH3+]C1CC[NH+](CCc2ccns2)CC1 ZINC000709966021 712234896 /nfs/dbraw/zinc/23/48/96/712234896.db2.gz DVGFOBNTROCWIU-UHFFFAOYSA-N 2 1 211.334 1.109 20 0 BDADMP FC[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000711416553 712299581 /nfs/dbraw/zinc/29/95/81/712299581.db2.gz OYMTYPMFOIFFDX-JTQLQIEISA-N 2 1 200.301 1.420 20 0 BDADMP FC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711440260 712300912 /nfs/dbraw/zinc/30/09/12/712300912.db2.gz DBOCEWLKUXCOCZ-NEPJUHHUSA-N 2 1 242.338 1.189 20 0 BDADMP FC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000711450761 712301739 /nfs/dbraw/zinc/30/17/39/712301739.db2.gz BWOXMBLFPUYTTO-NEPJUHHUSA-N 2 1 214.328 1.668 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CCC[NH2+]C1 ZINC000711589762 712311328 /nfs/dbraw/zinc/31/13/28/712311328.db2.gz IBCPTIINDFWTMK-XQQFMLRXSA-N 2 1 240.416 1.671 20 0 BDADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)OC1CC1 ZINC000711760392 712326528 /nfs/dbraw/zinc/32/65/28/712326528.db2.gz URLRLHZFSJVVEZ-JSGCOSHPSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)OC1CC1 ZINC000711776125 712327786 /nfs/dbraw/zinc/32/77/86/712327786.db2.gz GKVNPEGDHVLYQL-DGCLKSJQSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)OC1CC1 ZINC000711776126 712327890 /nfs/dbraw/zinc/32/78/90/712327890.db2.gz GKVNPEGDHVLYQL-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000923479196 712334284 /nfs/dbraw/zinc/33/42/84/712334284.db2.gz OGFJKELLYHEROU-YFKTTZPYSA-N 2 1 244.329 1.948 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923480286 712334703 /nfs/dbraw/zinc/33/47/03/712334703.db2.gz WLGRRKUBOILWBH-LSDHHAIUSA-N 2 1 248.370 1.261 20 0 BDADMP CCO[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000701712527 712355732 /nfs/dbraw/zinc/35/57/32/712355732.db2.gz ADNREEFHEFIZBS-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705657717 712372274 /nfs/dbraw/zinc/37/22/74/712372274.db2.gz FWHBEPLSUUHNHO-IHRRRGAJSA-N 2 1 240.391 1.421 20 0 BDADMP C[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCSC1 ZINC000379537405 712387860 /nfs/dbraw/zinc/38/78/60/712387860.db2.gz MIHFUHMGLSSORG-HTQZYQBOSA-N 2 1 224.320 1.406 20 0 BDADMP C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CCSC1 ZINC000379537405 712387861 /nfs/dbraw/zinc/38/78/61/712387861.db2.gz MIHFUHMGLSSORG-HTQZYQBOSA-N 2 1 224.320 1.406 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712437691 712429790 /nfs/dbraw/zinc/42/97/90/712429790.db2.gz KMTXIOMAPWBPQT-CHWSQXEVSA-N 2 1 238.375 1.759 20 0 BDADMP COC(=O)CCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713155710 712453419 /nfs/dbraw/zinc/45/34/19/712453419.db2.gz DDDXIRSGAKVREF-UHFFFAOYSA-N 2 1 240.347 1.158 20 0 BDADMP COC(=O)CCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713155710 712453420 /nfs/dbraw/zinc/45/34/20/712453420.db2.gz DDDXIRSGAKVREF-UHFFFAOYSA-N 2 1 240.347 1.158 20 0 BDADMP c1cnn(CC[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713202933 712454826 /nfs/dbraw/zinc/45/48/26/712454826.db2.gz BXNGDKKSEHGBCG-UHFFFAOYSA-N 2 1 234.347 1.101 20 0 BDADMP c1cnn(CC[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713202933 712454827 /nfs/dbraw/zinc/45/48/27/712454827.db2.gz BXNGDKKSEHGBCG-UHFFFAOYSA-N 2 1 234.347 1.101 20 0 BDADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)OC1 ZINC000713586212 712466179 /nfs/dbraw/zinc/46/61/79/712466179.db2.gz MEPMXBGKDQRULX-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000713596612 712466328 /nfs/dbraw/zinc/46/63/28/712466328.db2.gz NALBJVFUQAAKQR-UPJWGTAASA-N 2 1 240.391 1.861 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000713730623 712470450 /nfs/dbraw/zinc/47/04/50/712470450.db2.gz DBGIYVSFHUWHAJ-SCOBNMCVSA-N 2 1 206.333 1.804 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000713749527 712471017 /nfs/dbraw/zinc/47/10/17/712471017.db2.gz QQLUNSIUBFGHFI-VQTKUKTRSA-N 2 1 235.375 1.098 20 0 BDADMP C=C/C=C\CC[N@H+](C)CCOCC[NH2+]C ZINC000713755553 712472115 /nfs/dbraw/zinc/47/21/15/712472115.db2.gz OBIDOEVGWBJIPI-WAYWQWQTSA-N 2 1 212.337 1.287 20 0 BDADMP C[N@H+](CC[NH3+])CC[C@@H]1CCCC1(F)F ZINC000713975150 712475762 /nfs/dbraw/zinc/47/57/62/712475762.db2.gz MUJPCQVWAQEZSJ-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP C[N@@H+](CC[NH3+])CC[C@@H]1CCCC1(F)F ZINC000713975150 712475765 /nfs/dbraw/zinc/47/57/65/712475765.db2.gz MUJPCQVWAQEZSJ-VIFPVBQESA-N 2 1 206.280 1.702 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(CCC2)CO1)C1CC([NH3+])C1 ZINC000716321004 712554667 /nfs/dbraw/zinc/55/46/67/712554667.db2.gz WAQRHRXDWZSXFA-BPCQOVAHSA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](CCCF)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000716808158 712575704 /nfs/dbraw/zinc/57/57/04/712575704.db2.gz HUYUHCXHOUTEBL-YOGCLGLASA-N 2 1 214.328 1.808 20 0 BDADMP CC[C@@H](C[C@@H](C)O)[NH2+]C1CC[NH+](C)CC1 ZINC000716944974 712598446 /nfs/dbraw/zinc/59/84/46/712598446.db2.gz NWKNWSRJGRGDQT-MNOVXSKESA-N 2 1 214.353 1.220 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+](CCSC(F)(F)F)C1 ZINC000123492030 712693781 /nfs/dbraw/zinc/69/37/81/712693781.db2.gz QRHRZVZNTYXKLS-MRVPVSSYSA-N 2 1 242.310 1.910 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCSC(F)(F)F)C1 ZINC000123492030 712693782 /nfs/dbraw/zinc/69/37/82/712693782.db2.gz QRHRZVZNTYXKLS-MRVPVSSYSA-N 2 1 242.310 1.910 20 0 BDADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717955151 712734426 /nfs/dbraw/zinc/73/44/26/712734426.db2.gz YQQSQUYPRTXUGH-RQJABVFESA-N 2 1 237.391 1.282 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC000719571307 712811049 /nfs/dbraw/zinc/81/10/49/712811049.db2.gz SBVQACKUBZBOGD-ZYHUDNBSSA-N 2 1 205.305 1.316 20 0 BDADMP C[N@@H+](CCc1ccns1)CC(C)(C)C[NH3+] ZINC000719829677 712823815 /nfs/dbraw/zinc/82/38/15/712823815.db2.gz BQIDGHZKXPJVKS-UHFFFAOYSA-N 2 1 227.377 1.602 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000719829700 712823852 /nfs/dbraw/zinc/82/38/52/712823852.db2.gz CFOKNPCSPWMWIG-NXEZZACHSA-N 2 1 225.361 1.355 20 0 BDADMP Cc1conc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000720383926 712837685 /nfs/dbraw/zinc/83/76/85/712837685.db2.gz FEDMKASYEHJTHR-ZDUSSCGKSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)nn1 ZINC000720567333 712852069 /nfs/dbraw/zinc/85/20/69/712852069.db2.gz OSFCAJZPSDARHF-AAEUAGOBSA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)nn1 ZINC000720567333 712852071 /nfs/dbraw/zinc/85/20/71/712852071.db2.gz OSFCAJZPSDARHF-AAEUAGOBSA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)nc(N)[nH+]1 ZINC000720828646 712869110 /nfs/dbraw/zinc/86/91/10/712869110.db2.gz IXPXFLDOAUIBLA-QWRGUYRKSA-N 2 1 247.346 1.040 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000720876197 712872443 /nfs/dbraw/zinc/87/24/43/712872443.db2.gz ZJNNZLKODSESOO-AGIUHOORSA-N 2 1 240.391 1.861 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720903732 712875353 /nfs/dbraw/zinc/87/53/53/712875353.db2.gz LFPIQLYJARYZLN-STQMWFEESA-N 2 1 224.348 1.239 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720903732 712875354 /nfs/dbraw/zinc/87/53/54/712875354.db2.gz LFPIQLYJARYZLN-STQMWFEESA-N 2 1 224.348 1.239 20 0 BDADMP Cc1cc(C)[nH+]c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC001164668562 719371749 /nfs/dbraw/zinc/37/17/49/719371749.db2.gz OLQPVDWUAKGUPD-STQMWFEESA-N 2 1 247.342 1.218 20 0 BDADMP Cc1cc(C)[nH+]c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC001164668562 719371751 /nfs/dbraw/zinc/37/17/51/719371751.db2.gz OLQPVDWUAKGUPD-STQMWFEESA-N 2 1 247.342 1.218 20 0 BDADMP C[C@H]([NH3+])c1ccc(NC(=N)SCC[NH3+])cc1 ZINC001167912562 956878630 /nfs/dbraw/zinc/87/86/30/956878630.db2.gz PXBMWTRBIFOUGJ-QMMMGPOBSA-N 2 1 238.360 1.745 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000396497717 956888542 /nfs/dbraw/zinc/88/85/42/956888542.db2.gz OZROOOKYRNNQMJ-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP COC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208603591 957088960 /nfs/dbraw/zinc/08/89/60/957088960.db2.gz FFJFXBLMDPGOMK-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208603591 957088983 /nfs/dbraw/zinc/08/89/83/957088983.db2.gz FFJFXBLMDPGOMK-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208603591 957088991 /nfs/dbraw/zinc/08/89/91/957088991.db2.gz FFJFXBLMDPGOMK-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208603591 957089001 /nfs/dbraw/zinc/08/90/01/957089001.db2.gz FFJFXBLMDPGOMK-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000705397370 957198479 /nfs/dbraw/zinc/19/84/79/957198479.db2.gz CHVBSTNGHBCKCU-AAEUAGOBSA-N 2 1 226.364 1.173 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2OC)C1 ZINC000692998894 957411264 /nfs/dbraw/zinc/41/12/64/957411264.db2.gz QCMFCTOMDORRBP-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP Nc1cccc(N2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000089064376 721854493 /nfs/dbraw/zinc/85/44/93/721854493.db2.gz BOYZSIOBHZHFKF-UHFFFAOYSA-N 2 1 246.358 1.728 20 0 BDADMP CC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382670390 958715766 /nfs/dbraw/zinc/71/57/66/958715766.db2.gz QXAWCAJPBNXUCG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000382670390 958715771 /nfs/dbraw/zinc/71/57/71/958715771.db2.gz QXAWCAJPBNXUCG-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@H](O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000692581783 960309498 /nfs/dbraw/zinc/30/94/98/960309498.db2.gz WFIIEEJOEHFGLW-USZNOCQGSA-N 2 1 214.353 1.205 20 0 BDADMP CC[C@H](O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000692581783 960309504 /nfs/dbraw/zinc/30/95/04/960309504.db2.gz WFIIEEJOEHFGLW-USZNOCQGSA-N 2 1 214.353 1.205 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167899140 961535285 /nfs/dbraw/zinc/53/52/85/961535285.db2.gz XDDLIAOTOKCDIK-PJXYFTJBSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000300029133 963033629 /nfs/dbraw/zinc/03/36/29/963033629.db2.gz LAHRMNJAYXJZCG-KWCYVHTRSA-N 2 1 240.391 1.739 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@@](C)(O)C2)CC1 ZINC001168313674 964413298 /nfs/dbraw/zinc/41/32/98/964413298.db2.gz FZFWHANDUGQASH-WXRRBKDZSA-N 2 1 226.364 1.316 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCCSC1)C[NH+](C)C ZINC000926958912 964527480 /nfs/dbraw/zinc/52/74/80/964527480.db2.gz ILXRDJOAWSZIEY-VXGBXAGGSA-N 2 1 246.420 1.438 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094371 965725095 /nfs/dbraw/zinc/72/50/95/965725095.db2.gz LRAKXPGZTZLQAT-ZDUSSCGKSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938499 967243544 /nfs/dbraw/zinc/24/35/44/967243544.db2.gz MJFVJSXDTYDIMB-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@@]1([NH3+])CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC001204938499 967243549 /nfs/dbraw/zinc/24/35/49/967243549.db2.gz MJFVJSXDTYDIMB-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CC1COC(C)(C)OC1 ZINC001205063816 967315031 /nfs/dbraw/zinc/31/50/31/967315031.db2.gz CIQWDARLXCSAMY-JQWIXIFHSA-N 2 1 242.363 1.197 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CC1COC(C)(C)OC1 ZINC001205063816 967315043 /nfs/dbraw/zinc/31/50/43/967315043.db2.gz CIQWDARLXCSAMY-JQWIXIFHSA-N 2 1 242.363 1.197 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC001205131378 967375500 /nfs/dbraw/zinc/37/55/00/967375500.db2.gz WRMIZCRVWIEOLT-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264798 967456568 /nfs/dbraw/zinc/45/65/68/967456568.db2.gz MSAMNOWGETWARE-LBPRGKRZSA-N 2 1 222.336 1.421 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc[nH]c2)C1 ZINC001205827985 967842487 /nfs/dbraw/zinc/84/24/87/967842487.db2.gz IXGVUSVWBQLMFQ-ZYHUDNBSSA-N 2 1 207.321 1.574 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc[nH]c2)C1 ZINC001205827985 967842492 /nfs/dbraw/zinc/84/24/92/967842492.db2.gz IXGVUSVWBQLMFQ-ZYHUDNBSSA-N 2 1 207.321 1.574 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCC[C@H]1C[NH3+] ZINC001205981823 967918844 /nfs/dbraw/zinc/91/88/44/967918844.db2.gz HPPWMDDSTCGRHO-PWSUYJOCSA-N 2 1 222.336 1.217 20 0 BDADMP C[N@H+]1CCC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206302657 968211071 /nfs/dbraw/zinc/21/10/71/968211071.db2.gz PEIFJLRFARVCHU-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP CC(C)[N@@H+](CCCC[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC001206582136 968398190 /nfs/dbraw/zinc/39/81/90/968398190.db2.gz MDIOANVLAZYSAD-CYBMUJFWSA-N 3 1 227.396 1.578 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001206606542 968415450 /nfs/dbraw/zinc/41/54/50/968415450.db2.gz ONAQIGIQEVXAOC-ZIAGYGMSSA-N 2 1 239.407 1.437 20 0 BDADMP CC[N@H+](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC001252355920 968632971 /nfs/dbraw/zinc/63/29/71/968632971.db2.gz BJJCNQDDQWBAAC-UHFFFAOYSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC001252355920 968632981 /nfs/dbraw/zinc/63/29/81/968632981.db2.gz BJJCNQDDQWBAAC-UHFFFAOYSA-N 2 1 214.353 1.173 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001207274714 968701719 /nfs/dbraw/zinc/70/17/19/968701719.db2.gz FJLCZCPNSISUBX-RYUDHWBXSA-N 2 1 246.370 1.369 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](CO)CC1 ZINC001207276361 968710911 /nfs/dbraw/zinc/71/09/11/968710911.db2.gz WERAWQGTFOYOOF-CYBMUJFWSA-N 2 1 242.407 1.669 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH+]1CC2(C1)CCOCC2 ZINC001207281829 968710989 /nfs/dbraw/zinc/71/09/89/968710989.db2.gz HPZCJJRGCDJYSQ-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001207283335 968719598 /nfs/dbraw/zinc/71/95/98/968719598.db2.gz WXAIROBDCJIUHE-NWDGAFQWSA-N 2 1 226.364 1.295 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC[C@]1(C)O ZINC001207436330 968769050 /nfs/dbraw/zinc/76/90/50/968769050.db2.gz FEVYGLMRNWHRMM-OCCSQVGLSA-N 2 1 240.391 1.469 20 0 BDADMP CC[N@@H+](CCOC)CCC1CC[NH+](C)CC1 ZINC001207480281 968797154 /nfs/dbraw/zinc/79/71/54/968797154.db2.gz ZRNDUWOXPYQTJV-UHFFFAOYSA-N 2 1 228.380 1.687 20 0 BDADMP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC001208105751 969001903 /nfs/dbraw/zinc/00/19/03/969001903.db2.gz ZZVCWVXVBWVLRD-BETUJISGSA-N 2 1 240.391 1.828 20 0 BDADMP CCC[N@@H+](CCOC)C[C@H](O)C[NH+](CC)CC ZINC001253175032 969100045 /nfs/dbraw/zinc/10/00/45/969100045.db2.gz BWGOCQZOMBPDAM-CYBMUJFWSA-N 2 1 246.395 1.048 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC001208592578 969148667 /nfs/dbraw/zinc/14/86/67/969148667.db2.gz KIFPJFWGESJYSH-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CN(CCC[NH+](C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208603307 969154837 /nfs/dbraw/zinc/15/48/37/969154837.db2.gz AWJSDLSZWLAYLU-ZDUSSCGKSA-N 2 1 227.396 1.212 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208604826 969155550 /nfs/dbraw/zinc/15/55/50/969155550.db2.gz WRUFQMIFOZCDPI-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208604826 969155557 /nfs/dbraw/zinc/15/55/57/969155557.db2.gz WRUFQMIFOZCDPI-OLZOCXBDSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](C)C1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208605098 969157748 /nfs/dbraw/zinc/15/77/48/969157748.db2.gz YSKGWOYFVWCDFJ-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP COC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208604406 969156033 /nfs/dbraw/zinc/15/60/33/969156033.db2.gz OJILWYQWKZWSJW-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H]1C[NH3+])C2 ZINC001169099999 969394436 /nfs/dbraw/zinc/39/44/36/969394436.db2.gz YWIBKDHGTDZCNF-RNJOBUHISA-N 2 1 223.364 1.035 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H]([NH3+])C1)C2 ZINC001169089797 969408766 /nfs/dbraw/zinc/40/87/66/969408766.db2.gz FYOPECNOSNSLMZ-WUHRBBMRSA-N 2 1 223.364 1.035 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126282 969434831 /nfs/dbraw/zinc/43/48/31/969434831.db2.gz RDBVKLTVUXYCJP-BNDIWNMDSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126282 969434836 /nfs/dbraw/zinc/43/48/36/969434836.db2.gz RDBVKLTVUXYCJP-BNDIWNMDSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126282 969434841 /nfs/dbraw/zinc/43/48/41/969434841.db2.gz RDBVKLTVUXYCJP-BNDIWNMDSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@H](O)C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126282 969434843 /nfs/dbraw/zinc/43/48/43/969434843.db2.gz RDBVKLTVUXYCJP-BNDIWNMDSA-N 2 1 224.348 1.067 20 0 BDADMP CO[C@H](C)C1C[NH+](CCC[NH+]2CCCCC2)C1 ZINC001209452387 969516593 /nfs/dbraw/zinc/51/65/93/969516593.db2.gz MPRVPJOTDPJWPL-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CCN1CCC([N@H+]2C[C@H](CO)CC[C@H]2C)CC1 ZINC001169246216 969536379 /nfs/dbraw/zinc/53/63/79/969536379.db2.gz PPANYBMJHWQXPF-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@H](CO)CC[C@H]2C)CC1 ZINC001169246216 969536384 /nfs/dbraw/zinc/53/63/84/969536384.db2.gz PPANYBMJHWQXPF-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@H](CO)CC[C@H]2C)CC1 ZINC001169246216 969536392 /nfs/dbraw/zinc/53/63/92/969536392.db2.gz PPANYBMJHWQXPF-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](COC)C2)CC1 ZINC001169246208 969537259 /nfs/dbraw/zinc/53/72/59/969537259.db2.gz PLXPUUMZOANFFX-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2F)CC1 ZINC001254504466 969673987 /nfs/dbraw/zinc/67/39/87/969673987.db2.gz BKKYRXVMZKGOHF-TUAOUCFPSA-N 2 1 230.327 1.187 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2F)CC1 ZINC001254504466 969673994 /nfs/dbraw/zinc/67/39/94/969673994.db2.gz BKKYRXVMZKGOHF-TUAOUCFPSA-N 2 1 230.327 1.187 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254517631 969703481 /nfs/dbraw/zinc/70/34/81/969703481.db2.gz XNXTWMDXKVAFHG-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254517631 969703488 /nfs/dbraw/zinc/70/34/88/969703488.db2.gz XNXTWMDXKVAFHG-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254517631 969703500 /nfs/dbraw/zinc/70/35/00/969703500.db2.gz XNXTWMDXKVAFHG-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC(=O)[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254526697 969717593 /nfs/dbraw/zinc/71/75/93/969717593.db2.gz TWHGNIAFXWZUAU-KBPBESRZSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254526697 969717600 /nfs/dbraw/zinc/71/76/00/969717600.db2.gz TWHGNIAFXWZUAU-KBPBESRZSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254526697 969717606 /nfs/dbraw/zinc/71/76/06/969717606.db2.gz TWHGNIAFXWZUAU-KBPBESRZSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)[C@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254526697 969717612 /nfs/dbraw/zinc/71/76/12/969717612.db2.gz TWHGNIAFXWZUAU-KBPBESRZSA-N 2 1 238.375 1.772 20 0 BDADMP CCO[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254528528 969720236 /nfs/dbraw/zinc/72/02/36/969720236.db2.gz GQRYEVIKDLXFKU-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254528528 969720241 /nfs/dbraw/zinc/72/02/41/969720241.db2.gz GQRYEVIKDLXFKU-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CCO[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254528528 969720250 /nfs/dbraw/zinc/72/02/50/969720250.db2.gz GQRYEVIKDLXFKU-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP CCCC[C@@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001255316593 970090000 /nfs/dbraw/zinc/09/00/00/970090000.db2.gz ZZOWYPWAPWZZCH-TZMCWYRMSA-N 2 1 239.407 1.578 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1F ZINC001255947967 970579874 /nfs/dbraw/zinc/57/98/74/970579874.db2.gz ZSCUWKXKTCBIPK-AVGNSLFASA-N 2 1 246.370 1.823 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC(C)(OC)OC ZINC001255948272 970580116 /nfs/dbraw/zinc/58/01/16/970580116.db2.gz IRQQNECXCSKVAU-LBPRGKRZSA-N 2 1 246.395 1.705 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCOCC1 ZINC001255954681 970587731 /nfs/dbraw/zinc/58/77/31/970587731.db2.gz HMSQYVWHTWQALB-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCOCC1 ZINC001255954681 970587736 /nfs/dbraw/zinc/58/77/36/970587736.db2.gz HMSQYVWHTWQALB-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1F ZINC001255954271 970589042 /nfs/dbraw/zinc/58/90/42/970589042.db2.gz ZSCUWKXKTCBIPK-FRRDWIJNSA-N 2 1 246.370 1.823 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH+]1CC2(C1)CCOC2 ZINC001255954962 970590423 /nfs/dbraw/zinc/59/04/23/970590423.db2.gz LSDAOWQRWZIBJC-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@@H](O)C1 ZINC001255958144 970595402 /nfs/dbraw/zinc/59/54/02/970595402.db2.gz YSSYQWFNOYQQHY-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](O)C[C@@H]1C ZINC001255963141 970601677 /nfs/dbraw/zinc/60/16/77/970601677.db2.gz CYWHUIOAVODXEB-MELADBBJSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400633549 970613262 /nfs/dbraw/zinc/61/32/62/970613262.db2.gz MFJLOUKNYDGELK-MDZLAQPJSA-N 2 1 222.332 1.941 20 0 BDADMP C[C@H](Cc1ccco1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400633550 970613568 /nfs/dbraw/zinc/61/35/68/970613568.db2.gz MFJLOUKNYDGELK-NQBHXWOUSA-N 2 1 222.332 1.941 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@]1(C)O ZINC001256203312 970705057 /nfs/dbraw/zinc/70/50/57/970705057.db2.gz VHLNKZOZLQKUMB-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@]1(C)O ZINC001256203312 970705061 /nfs/dbraw/zinc/70/50/61/970705061.db2.gz VHLNKZOZLQKUMB-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC001332422557 975108511 /nfs/dbraw/zinc/10/85/11/975108511.db2.gz XIKDEMKVQWDCFV-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]1CC[C@@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)C1 ZINC001173266529 975129791 /nfs/dbraw/zinc/12/97/91/975129791.db2.gz LYAVPAXODBMWBX-IJLUTSLNSA-N 2 1 242.363 1.435 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC([NH+](C)C)CC2)C1 ZINC001173357597 975319062 /nfs/dbraw/zinc/31/90/62/975319062.db2.gz PLVOJAAFTNLIIV-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001173437978 975373852 /nfs/dbraw/zinc/37/38/52/975373852.db2.gz VAKZMJSPHZSBCV-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 ZINC001173437978 975373864 /nfs/dbraw/zinc/37/38/64/975373864.db2.gz VAKZMJSPHZSBCV-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001173436959 975374040 /nfs/dbraw/zinc/37/40/40/975374040.db2.gz GWPKLKVTXWDZKW-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP [NH3+][C@H]1CCCC[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC001333218060 975566761 /nfs/dbraw/zinc/56/67/61/975566761.db2.gz FVMWNFTYRVKJRL-YUMQZZPRSA-N 2 1 222.292 1.002 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001333599540 975882460 /nfs/dbraw/zinc/88/24/60/975882460.db2.gz XBWLCKWGDMKZDC-GRYCIOLGSA-N 3 1 227.396 1.480 20 0 BDADMP OCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235425521 979041868 /nfs/dbraw/zinc/04/18/68/979041868.db2.gz LNCYBYFGUCQWMS-ZIAGYGMSSA-N 2 1 240.391 1.471 20 0 BDADMP [NH3+]CCCC[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001235985961 979268876 /nfs/dbraw/zinc/26/88/76/979268876.db2.gz NDMWKNRHXIOPLS-CIUDSAMLSA-N 2 1 238.253 1.129 20 0 BDADMP [NH3+]CCCC[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001235985961 979268886 /nfs/dbraw/zinc/26/88/86/979268886.db2.gz NDMWKNRHXIOPLS-CIUDSAMLSA-N 2 1 238.253 1.129 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)CC(C)(C)O ZINC001236111554 979391104 /nfs/dbraw/zinc/39/11/04/979391104.db2.gz KTKQMSREFWNASE-GFCCVEGCSA-N 2 1 236.359 1.607 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001236111554 979391110 /nfs/dbraw/zinc/39/11/10/979391110.db2.gz KTKQMSREFWNASE-GFCCVEGCSA-N 2 1 236.359 1.607 20 0 BDADMP CC[C@H]([NH3+])CN(C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236860551 979762899 /nfs/dbraw/zinc/76/28/99/979762899.db2.gz RARCMZPDXMAWPY-VWYCJHECSA-N 2 1 249.349 1.146 20 0 BDADMP [NH3+]CCCC[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001237276415 979858828 /nfs/dbraw/zinc/85/88/28/979858828.db2.gz VQUNRHZROASYDF-MNOVXSKESA-N 2 1 210.321 1.026 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237384311 979882710 /nfs/dbraw/zinc/88/27/10/979882710.db2.gz VRNGSRHYNJOGMC-NEPJUHHUSA-N 2 1 224.348 1.097 20 0 BDADMP CCc1[nH]c(CN(C)CC[NH+](C)C)c(C)[nH+]1 ZINC001203233864 980700556 /nfs/dbraw/zinc/70/05/56/980700556.db2.gz HQLUZBWIRANPOS-UHFFFAOYSA-N 2 1 224.352 1.274 20 0 BDADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)O ZINC001194176809 981590798 /nfs/dbraw/zinc/59/07/98/981590798.db2.gz QIZCGEMVWDTRDP-STQMWFEESA-N 2 1 242.407 1.856 20 0 BDADMP CN(C)c1cc[nH+]c(C2=CC[N@H+](C)CC2)c1 ZINC001241308622 982448705 /nfs/dbraw/zinc/44/87/05/982448705.db2.gz LXDHGEHMNULGBN-UHFFFAOYSA-N 2 1 217.316 1.867 20 0 BDADMP CN(C)c1cc[nH+]c(C2=CC[N@@H+](C)CC2)c1 ZINC001241308622 982448712 /nfs/dbraw/zinc/44/87/12/982448712.db2.gz LXDHGEHMNULGBN-UHFFFAOYSA-N 2 1 217.316 1.867 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000716954906 983097889 /nfs/dbraw/zinc/09/78/89/983097889.db2.gz NOPLWICKAJZYGY-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(O)CCC[NH2+]C1)c1ccsc1 ZINC001573571120 984035129 /nfs/dbraw/zinc/03/51/29/984035129.db2.gz FHGWQBMZCNAUHB-ZYHUDNBSSA-N 2 1 240.372 1.513 20 0 BDADMP CCCC(N)=[NH+]OCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001331476079 974737092 /nfs/dbraw/zinc/73/70/92/974737092.db2.gz OHJWWTGGCUEZJQ-PHIMTYICSA-N 2 1 241.335 1.148 20 0 BDADMP COC(=O)CC(C)(C)[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC001327414956 972573158 /nfs/dbraw/zinc/57/31/58/972573158.db2.gz GLAXDLMXPHJLBN-LLVKDONJSA-N 2 1 244.379 1.633 20 0 BDADMP COC(=O)CC(C)(C)[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC001327414956 972573164 /nfs/dbraw/zinc/57/31/64/972573164.db2.gz GLAXDLMXPHJLBN-LLVKDONJSA-N 2 1 244.379 1.633 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556112 972758745 /nfs/dbraw/zinc/75/87/45/972758745.db2.gz YKIHAHFHOBAKJM-RWMBFGLXSA-N 3 1 225.380 1.330 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246596728 973010512 /nfs/dbraw/zinc/01/05/12/973010512.db2.gz VJBRIJRGUUDNOW-UONOGXRCSA-N 3 1 241.423 1.837 20 0 BDADMP C[NH2+]CC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001246596728 973010524 /nfs/dbraw/zinc/01/05/24/973010524.db2.gz VJBRIJRGUUDNOW-UONOGXRCSA-N 3 1 241.423 1.837 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+]C(C)(C)C[NH3+] ZINC001256397305 970803729 /nfs/dbraw/zinc/80/37/29/970803729.db2.gz QTIKOOXKKPSVSD-SNVBAGLBSA-N 2 1 207.321 1.340 20 0 BDADMP C[C@H]([NH3+])CN(C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246979907 973742161 /nfs/dbraw/zinc/74/21/61/973742161.db2.gz GDAXNZFCXLLVHA-LBPRGKRZSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCCOC1 ZINC000402779800 970851621 /nfs/dbraw/zinc/85/16/21/970851621.db2.gz NHDQLJQNNKMMJW-UWVGGRQHSA-N 2 1 236.306 1.470 20 0 BDADMP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1CCCOC1 ZINC000402779800 970851625 /nfs/dbraw/zinc/85/16/25/970851625.db2.gz NHDQLJQNNKMMJW-UWVGGRQHSA-N 2 1 236.306 1.470 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569819 970866284 /nfs/dbraw/zinc/86/62/84/970866284.db2.gz PJTZJJGNRMKNCU-DGCLKSJQSA-N 2 1 240.391 1.704 20 0 BDADMP COC[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256623903 970889953 /nfs/dbraw/zinc/88/99/53/970889953.db2.gz SVOXVWLFCBSXJE-WJLOJVBCSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256623903 970889955 /nfs/dbraw/zinc/88/99/55/970889955.db2.gz SVOXVWLFCBSXJE-WJLOJVBCSA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256623903 970889956 /nfs/dbraw/zinc/88/99/56/970889956.db2.gz SVOXVWLFCBSXJE-WJLOJVBCSA-N 2 1 238.375 1.722 20 0 BDADMP CC(C)CC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403245908 970898135 /nfs/dbraw/zinc/89/81/35/970898135.db2.gz RBSYLONCHVOMSD-SNVBAGLBSA-N 2 1 220.307 1.948 20 0 BDADMP CC(C)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403264639 970901836 /nfs/dbraw/zinc/90/18/36/970901836.db2.gz ZETMURPZTYLMGQ-VIFPVBQESA-N 2 1 206.280 1.558 20 0 BDADMP C[NH+](C)CCC[N@H+](C)[C@H]1CCCOC1 ZINC000352187840 970929141 /nfs/dbraw/zinc/92/91/41/970929141.db2.gz VFDITULVRADFCX-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCOC1 ZINC000352187840 970929145 /nfs/dbraw/zinc/92/91/45/970929145.db2.gz VFDITULVRADFCX-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP [NH3+]Cc1nccn1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894222 971016127 /nfs/dbraw/zinc/01/61/27/971016127.db2.gz FVTLVOTTZODGKP-ZDUSSCGKSA-N 2 1 248.374 1.921 20 0 BDADMP c1cnc(OC2C[NH2+]C2)c(C2=C[NH2+]CCC2)c1 ZINC001243951636 971047706 /nfs/dbraw/zinc/04/77/06/971047706.db2.gz KLHQKHHDGWDMDT-UHFFFAOYSA-N 2 1 231.299 1.157 20 0 BDADMP COC(=O)CC1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001256974267 971057072 /nfs/dbraw/zinc/05/70/72/971057072.db2.gz SERFIYUKHDAXRY-UHFFFAOYSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)C1C[C@H](C)O[C@@H](C)C1 ZINC001257082542 971093429 /nfs/dbraw/zinc/09/34/29/971093429.db2.gz AAWGQDFKYQIHKP-VWYCJHECSA-N 2 1 214.353 1.469 20 0 BDADMP C[C@@H]1CC([N@@H+](C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC001257088309 971100928 /nfs/dbraw/zinc/10/09/28/971100928.db2.gz YQFXPKPHNPZCIN-VXGBXAGGSA-N 2 1 228.380 1.826 20 0 BDADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001170535428 971110840 /nfs/dbraw/zinc/11/08/40/971110840.db2.gz AXYQDHKZFUUZFR-NEPJUHHUSA-N 2 1 242.363 1.212 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC001257213692 971126689 /nfs/dbraw/zinc/12/66/89/971126689.db2.gz SMDUYNFLBDHFAX-ZDUSSCGKSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCOC[C@@H](C)C2)CC1 ZINC001257213692 971126695 /nfs/dbraw/zinc/12/66/95/971126695.db2.gz SMDUYNFLBDHFAX-ZDUSSCGKSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC001257214341 971127465 /nfs/dbraw/zinc/12/74/65/971127465.db2.gz BRYZUXBJYIHLOH-GXTWGEPZSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2F)CC1 ZINC001257208554 971129125 /nfs/dbraw/zinc/12/91/25/971129125.db2.gz MTQLTVHHSGDIAM-OLZOCXBDSA-N 2 1 244.354 1.576 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001257215015 971130804 /nfs/dbraw/zinc/13/08/04/971130804.db2.gz QGHRYRRLHARKNP-OLZOCXBDSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001257215015 971130806 /nfs/dbraw/zinc/13/08/06/971130806.db2.gz QGHRYRRLHARKNP-OLZOCXBDSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)c1cccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001170566503 971201235 /nfs/dbraw/zinc/20/12/35/971201235.db2.gz GHFYORJNLRLJEG-YPMHNXCESA-N 2 1 249.358 1.994 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405201916 971210183 /nfs/dbraw/zinc/21/01/83/971210183.db2.gz BDPNCLNEDUXJIS-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CC[C@@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224819934 974006790 /nfs/dbraw/zinc/00/67/90/974006790.db2.gz QZLGPQIRGMXCQJ-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP CC[NH+]1CC[C@@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224819934 974006802 /nfs/dbraw/zinc/00/68/02/974006802.db2.gz QZLGPQIRGMXCQJ-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP CC[NH+]1CC[C@@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224819934 974006820 /nfs/dbraw/zinc/00/68/20/974006820.db2.gz QZLGPQIRGMXCQJ-NWDGAFQWSA-N 2 1 212.337 1.191 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000405253904 971217987 /nfs/dbraw/zinc/21/79/87/971217987.db2.gz LFKABFIJVCEGAC-QWHCGFSZSA-N 2 1 231.343 1.750 20 0 BDADMP C[C@@H](Nc1ccc2[nH]c[nH+]c2c1)[C@H]1C[NH2+]CCO1 ZINC001170576745 971233474 /nfs/dbraw/zinc/23/34/74/971233474.db2.gz WVJLKPKXWUTBBD-NOZJJQNGSA-N 2 1 246.314 1.352 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405294284 971234276 /nfs/dbraw/zinc/23/42/76/971234276.db2.gz ZYLVHEBKLKVNJR-YNEHKIRRSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]CCC[C@H]([NH3+])c1nnc(Cc2ccccc2)o1 ZINC001217695848 971336849 /nfs/dbraw/zinc/33/68/49/971336849.db2.gz LAYAIYNDARYJLQ-NSHDSACASA-N 2 1 246.314 1.399 20 0 BDADMP CCCCCc1nnc([C@@H]([NH3+])CCCC[NH3+])o1 ZINC001217699020 971335562 /nfs/dbraw/zinc/33/55/62/971335562.db2.gz JHEMGQQSGGGCJO-JTQLQIEISA-N 2 1 240.351 1.931 20 0 BDADMP CC(C)CCc1nnc([C@H]([NH3+])CCCC[NH3+])o1 ZINC001217700001 971339964 /nfs/dbraw/zinc/33/99/64/971339964.db2.gz VSPXLCNRNDFJTL-SNVBAGLBSA-N 2 1 240.351 1.787 20 0 BDADMP [NH3+]Cc1ccccc1CO[C@H]1C[NH2+]CC1(F)F ZINC001217844337 971439949 /nfs/dbraw/zinc/43/99/49/971439949.db2.gz LARDVJCBOCBHAA-NSHDSACASA-N 2 1 242.269 1.269 20 0 BDADMP CC[N@H+]1CCC[C@@H](OC[C@@H]2CCC[NH2+]C2)C1 ZINC001217889980 971485448 /nfs/dbraw/zinc/48/54/48/971485448.db2.gz JWQDXZPDGDKUQE-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](OC[C@H]2CCC[NH2+]C2)C1 ZINC001217889182 971486504 /nfs/dbraw/zinc/48/65/04/971486504.db2.gz DPMASRLIEZBEQG-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP COC(=O)C1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001257855517 971504184 /nfs/dbraw/zinc/50/41/84/971504184.db2.gz QUBCWEVBSOLOOO-MCIGGMRASA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)C1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001257855517 971504192 /nfs/dbraw/zinc/50/41/92/971504192.db2.gz QUBCWEVBSOLOOO-MCIGGMRASA-N 2 1 240.347 1.141 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([N@@H+]3CCO[C@@H](C[NH3+])C3)C[C@@H]21 ZINC001170719716 971647246 /nfs/dbraw/zinc/64/72/46/971647246.db2.gz GKEWTLHCMNZVPU-YFKTTZPYSA-N 2 1 224.348 1.081 20 0 BDADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCO[C@@H](C[NH3+])C3)C[C@@H]21 ZINC001170719716 971647256 /nfs/dbraw/zinc/64/72/56/971647256.db2.gz GKEWTLHCMNZVPU-YFKTTZPYSA-N 2 1 224.348 1.081 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCn1ccnc1)C2 ZINC001172101104 974330634 /nfs/dbraw/zinc/33/06/34/974330634.db2.gz WFSPITGPUZEOIY-BTTYYORXSA-N 3 1 248.374 1.488 20 0 BDADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCn1ccnc1)C2 ZINC001172101104 974330640 /nfs/dbraw/zinc/33/06/40/974330640.db2.gz WFSPITGPUZEOIY-BTTYYORXSA-N 3 1 248.374 1.488 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099104 974337372 /nfs/dbraw/zinc/33/73/72/974337372.db2.gz FHRCOVYSEWPSMJ-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099104 974337384 /nfs/dbraw/zinc/33/73/84/974337384.db2.gz FHRCOVYSEWPSMJ-LPWJVIDDSA-N 2 1 226.364 1.626 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099106 974340876 /nfs/dbraw/zinc/34/08/76/974340876.db2.gz FHRCOVYSEWPSMJ-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCCC2)CC[C@@H]1F ZINC001206156021 974342000 /nfs/dbraw/zinc/34/20/00/974342000.db2.gz OHMDUISHXXKTER-RYUDHWBXSA-N 2 1 214.328 1.938 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCCC2)CC[C@@H]1F ZINC001206156021 974342006 /nfs/dbraw/zinc/34/20/06/974342006.db2.gz OHMDUISHXXKTER-RYUDHWBXSA-N 2 1 214.328 1.938 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCCOCC1 ZINC001170777337 971804739 /nfs/dbraw/zinc/80/47/39/971804739.db2.gz ZQYDMSBRCWEQED-LLVKDONJSA-N 2 1 223.320 1.434 20 0 BDADMP CC1(C)C[C@H](n2cc[nH+]c2CCC[NH3+])CO1 ZINC001172279776 974539493 /nfs/dbraw/zinc/53/94/93/974539493.db2.gz JYSKYDSIFIGGAF-JTQLQIEISA-N 2 1 223.320 1.514 20 0 BDADMP C1C[NH+](C2CC[NH+]([C@H]3CCCOCC3)CC2)C1 ZINC001170843313 971967131 /nfs/dbraw/zinc/96/71/31/971967131.db2.gz AWWJCDDVRZYFKM-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP Cc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC000310399371 971973570 /nfs/dbraw/zinc/97/35/70/971973570.db2.gz MQPJCTKXNOYUGL-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC001135979611 972015857 /nfs/dbraw/zinc/01/58/57/972015857.db2.gz HRGVDTKRNSJWLI-NWDGAFQWSA-N 2 1 243.395 1.221 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(NCC[C@@H](C)[NH3+])c12 ZINC001159774698 972105514 /nfs/dbraw/zinc/10/55/14/972105514.db2.gz LKGRVVCPLKABQD-MRVPVSSYSA-N 2 1 219.292 1.367 20 0 BDADMP FC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246082178 972135665 /nfs/dbraw/zinc/13/56/65/972135665.db2.gz NQNACUWYXVFRRV-VQXHTEKXSA-N 2 1 200.301 1.609 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246102865 972160821 /nfs/dbraw/zinc/16/08/21/972160821.db2.gz SPXASISNCLYXKH-QNSTZXKLSA-N 3 1 239.407 1.351 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC001246121011 972185355 /nfs/dbraw/zinc/18/53/55/972185355.db2.gz VKOXWZOJDPXKEM-MELADBBJSA-N 3 1 237.391 1.250 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246176548 972207888 /nfs/dbraw/zinc/20/78/88/972207888.db2.gz LOWOKOHOHNQILP-NWDGAFQWSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@H]1CC[C@@H](NC2CC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246176548 972207891 /nfs/dbraw/zinc/20/78/91/972207891.db2.gz LOWOKOHOHNQILP-NWDGAFQWSA-N 2 1 237.391 1.249 20 0 BDADMP COc1cc(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccn1 ZINC001246237506 972244714 /nfs/dbraw/zinc/24/47/14/972244714.db2.gz CBJCPKIYPFKUFP-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC001208614980 957105076 /nfs/dbraw/zinc/10/50/76/957105076.db2.gz GJMSPUQLBIYRGY-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC[C@@H](CN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001208614980 957105084 /nfs/dbraw/zinc/10/50/84/957105084.db2.gz GJMSPUQLBIYRGY-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC[C@@H](CN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001208614980 957105092 /nfs/dbraw/zinc/10/50/92/957105092.db2.gz GJMSPUQLBIYRGY-CYBMUJFWSA-N 2 1 239.407 1.354 20 0 BDADMP CCC1(N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC001246238949 972244404 /nfs/dbraw/zinc/24/44/04/972244404.db2.gz WYOWPOVWYAZJJJ-STQMWFEESA-N 2 1 237.391 1.250 20 0 BDADMP C[NH2+]CC[C@@H](C)[NH2+]CC[C@H]1CCCC[NH2+]1 ZINC001246243364 972249985 /nfs/dbraw/zinc/24/99/85/972249985.db2.gz IAHBIIZGOFBDTO-VXGBXAGGSA-N 3 1 213.369 1.106 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)CC[NH2+]1 ZINC001246303616 972264898 /nfs/dbraw/zinc/26/48/98/972264898.db2.gz HOGPXQHZGJGXIG-GXSJLCMTSA-N 2 1 223.295 1.451 20 0 BDADMP Fc1cccc2c1C[C@H]([NH2+][C@H]1CC13C[NH2+]C3)C2 ZINC001246442248 972313750 /nfs/dbraw/zinc/31/37/50/972313750.db2.gz CMRRQOYZFBDZST-MFKMUULPSA-N 2 1 232.302 1.244 20 0 BDADMP CCCCC[N@@H+](C)CCC(=O)NCCCC[NH3+] ZINC001221347538 972325512 /nfs/dbraw/zinc/32/55/12/972325512.db2.gz ONAMZJZDCHVBTA-UHFFFAOYSA-N 2 1 243.395 1.354 20 0 BDADMP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[NH2+]CC3)C[C@@H]21 ZINC000693303561 958191411 /nfs/dbraw/zinc/19/14/11/958191411.db2.gz KUNWMAIIJIWFPX-RTCCRHLQSA-N 2 1 230.302 1.573 20 0 BDADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC[NH2+]CC3)C[C@@H]21 ZINC000693303561 958191418 /nfs/dbraw/zinc/19/14/18/958191418.db2.gz KUNWMAIIJIWFPX-RTCCRHLQSA-N 2 1 230.302 1.573 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2ccncc2)C[NH2+]1 ZINC000398972180 958468879 /nfs/dbraw/zinc/46/88/79/958468879.db2.gz WZJANCXGHXZWFA-AAEUAGOBSA-N 2 1 219.332 1.354 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CC[NH2+]1 ZINC000707564111 958588277 /nfs/dbraw/zinc/58/82/77/958588277.db2.gz KIWREYDVEYAZHL-GRYCIOLGSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+](Cc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693558270 958796535 /nfs/dbraw/zinc/79/65/35/958796535.db2.gz XLVHDGYJWUOUTH-AOOOYVTPSA-N 2 1 210.346 1.917 20 0 BDADMP CSCC[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693563786 958815136 /nfs/dbraw/zinc/81/51/36/958815136.db2.gz WXKHRQWHSIEKSO-MXWKQRLJSA-N 2 1 216.394 1.797 20 0 BDADMP C[N@@H+](CCc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693591679 958899992 /nfs/dbraw/zinc/89/99/92/958899992.db2.gz JGTPODYGXLGYCC-PHIMTYICSA-N 2 1 224.373 1.960 20 0 BDADMP CCC(=O)Nc1cc(-n2cccc2C[NH3+])cc[nH+]1 ZINC001167600232 959021936 /nfs/dbraw/zinc/02/19/36/959021936.db2.gz MUGDZSMLEAUPNH-UHFFFAOYSA-N 2 1 244.298 1.680 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)[C@@H]1CC[NH3+] ZINC000404412729 959251597 /nfs/dbraw/zinc/25/15/97/959251597.db2.gz DTONKUZPQQVSSN-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP OCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222231128 972416875 /nfs/dbraw/zinc/41/68/75/972416875.db2.gz JOLNQSNCFPICHI-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP CSCC[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529483 972417315 /nfs/dbraw/zinc/41/73/15/972417315.db2.gz KMQBXEHAFRRZTC-VHSXEESVSA-N 2 1 202.367 1.551 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](C2CCC3(COC3)CC2)C1 ZINC001246529807 972418215 /nfs/dbraw/zinc/41/82/15/972418215.db2.gz LVVUQMJQDFISLV-LBPRGKRZSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CO[C@H]1C ZINC000405693560 959487373 /nfs/dbraw/zinc/48/73/73/959487373.db2.gz WZSOTOSJLIHNBO-PDWCTOEPSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CO[C@H]1C ZINC000405693560 959487380 /nfs/dbraw/zinc/48/73/80/959487380.db2.gz WZSOTOSJLIHNBO-PDWCTOEPSA-N 2 1 238.375 1.626 20 0 BDADMP COc1ccc(CC[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405746027 959497777 /nfs/dbraw/zinc/49/77/77/959497777.db2.gz DJTDYHIYNZJFIL-CQSZACIVSA-N 2 1 234.343 1.661 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405746027 959497787 /nfs/dbraw/zinc/49/77/87/959497787.db2.gz DJTDYHIYNZJFIL-CQSZACIVSA-N 2 1 234.343 1.661 20 0 BDADMP OCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346097 972440214 /nfs/dbraw/zinc/44/02/14/972440214.db2.gz PQCMHBJJSNRBAL-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222346097 972440215 /nfs/dbraw/zinc/44/02/15/972440215.db2.gz PQCMHBJJSNRBAL-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP FC1(F)C[NH2+]CC[C@@H]1OCC[C@H]1CCC[NH2+]C1 ZINC001217780677 959592429 /nfs/dbraw/zinc/59/24/29/959592429.db2.gz DVNOLCSVSONULB-MNOVXSKESA-N 2 1 248.317 1.390 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCc3cnccc3C2)CC1 ZINC001207391272 959625341 /nfs/dbraw/zinc/62/53/41/959625341.db2.gz AKMMKAHGSIHXEG-UHFFFAOYSA-N 2 1 245.370 1.782 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CC[C@](C)([NH3+])C2)C1 ZINC001246532211 972449933 /nfs/dbraw/zinc/44/99/33/972449933.db2.gz WBFJKTQZNZWWEO-MDZLAQPJSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@](C)([NH3+])C2)C1 ZINC001246532211 972449937 /nfs/dbraw/zinc/44/99/37/972449937.db2.gz WBFJKTQZNZWWEO-MDZLAQPJSA-N 2 1 240.347 1.141 20 0 BDADMP C(C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1)C1C[NH2+]C1 ZINC001222385736 972450950 /nfs/dbraw/zinc/45/09/50/972450950.db2.gz VFMLHXAIQLVTBV-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1)C1C[NH2+]C1 ZINC001222385736 972450956 /nfs/dbraw/zinc/45/09/56/972450956.db2.gz VFMLHXAIQLVTBV-CQSZACIVSA-N 3 1 237.391 1.204 20 0 BDADMP c1cc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)ccn1 ZINC001207437693 960092479 /nfs/dbraw/zinc/09/24/79/960092479.db2.gz OWULKUBEORTWAO-HNNXBMFYSA-N 2 1 245.370 1.871 20 0 BDADMP c1cnc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cn1 ZINC001207437268 960092985 /nfs/dbraw/zinc/09/29/85/960092985.db2.gz GPZAEYWTHFCKGQ-CQSZACIVSA-N 2 1 246.358 1.613 20 0 BDADMP [NH3+]CCc1ccn(-c2cccn3c[nH+]cc23)n1 ZINC001167731696 960273118 /nfs/dbraw/zinc/27/31/18/960273118.db2.gz RCKRLVMQHXUOFN-UHFFFAOYSA-N 2 1 227.271 1.021 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000692536121 960274477 /nfs/dbraw/zinc/27/44/77/960274477.db2.gz NNXIRXPGCDPOEB-LLVKDONJSA-N 2 1 239.388 1.931 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709280100 960467931 /nfs/dbraw/zinc/46/79/31/960467931.db2.gz FAQVOHFPDQFLJW-VKYHIEHISA-N 2 1 224.348 1.115 20 0 BDADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140707915 960522896 /nfs/dbraw/zinc/52/28/96/960522896.db2.gz IMNJEHIBYBXXET-OKILXGFUSA-N 2 1 233.359 1.788 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140707915 960522906 /nfs/dbraw/zinc/52/29/06/960522906.db2.gz IMNJEHIBYBXXET-OKILXGFUSA-N 2 1 233.359 1.788 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140707915 960522914 /nfs/dbraw/zinc/52/29/14/960522914.db2.gz IMNJEHIBYBXXET-OKILXGFUSA-N 2 1 233.359 1.788 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140707915 960522931 /nfs/dbraw/zinc/52/29/31/960522931.db2.gz IMNJEHIBYBXXET-OKILXGFUSA-N 2 1 233.359 1.788 20 0 BDADMP CC(C)(C)CC[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491958 972519290 /nfs/dbraw/zinc/51/92/90/972519290.db2.gz LEXUJVJLGVKBNZ-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP OC[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709474353 960620497 /nfs/dbraw/zinc/62/04/97/960620497.db2.gz HYBLMCVMBWRIBH-DAAZQVBGSA-N 2 1 224.348 1.116 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487804 960621596 /nfs/dbraw/zinc/62/15/96/960621596.db2.gz CNGKADBKLQUOKH-MWWBDVBNSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487804 960621606 /nfs/dbraw/zinc/62/16/06/960621606.db2.gz CNGKADBKLQUOKH-MWWBDVBNSA-N 2 1 237.391 1.199 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487804 960621611 /nfs/dbraw/zinc/62/16/11/960621611.db2.gz CNGKADBKLQUOKH-MWWBDVBNSA-N 3 1 237.391 1.199 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709487804 960621622 /nfs/dbraw/zinc/62/16/22/960621622.db2.gz CNGKADBKLQUOKH-MWWBDVBNSA-N 3 1 237.391 1.199 20 0 BDADMP C[NH+](C)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709504225 960628354 /nfs/dbraw/zinc/62/83/54/960628354.db2.gz PWDDLFKDIGWBLC-FUNVUKJBSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC000399088028 961073402 /nfs/dbraw/zinc/07/34/02/961073402.db2.gz VKWMCBMZBPILRH-GRYCIOLGSA-N 2 1 226.364 1.674 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001167826051 961158495 /nfs/dbraw/zinc/15/84/95/961158495.db2.gz MCSVAVKCHBKZBE-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@]1(O)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893719224 961723227 /nfs/dbraw/zinc/72/32/27/961723227.db2.gz JQTGVOSLFYXLAD-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP Nc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206632117 962122640 /nfs/dbraw/zinc/12/26/40/962122640.db2.gz GGRXSCPVAYCMNI-NSHDSACASA-N 2 1 234.347 1.225 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639630 962251533 /nfs/dbraw/zinc/25/15/33/962251533.db2.gz FYSMYXQSQZNNMZ-NSHDSACASA-N 2 1 236.363 1.533 20 0 BDADMP CCc1n[nH]cc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206639630 962251553 /nfs/dbraw/zinc/25/15/53/962251553.db2.gz FYSMYXQSQZNNMZ-NSHDSACASA-N 2 1 236.363 1.533 20 0 BDADMP Cc1ncncc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206641396 962291815 /nfs/dbraw/zinc/29/18/15/962291815.db2.gz WNTBVMSPLXFPFS-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP CC1(C[N@H+]2CCC(F)(F)[C@@H](N)C2)CC[NH2+]CC1 ZINC001206649126 962616003 /nfs/dbraw/zinc/61/60/03/962616003.db2.gz QTOUANJWTCVXTN-JTQLQIEISA-N 2 1 247.333 1.044 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711449274 962704917 /nfs/dbraw/zinc/70/49/17/962704917.db2.gz DLSZFEYMVBTTTE-CHWSQXEVSA-N 2 1 246.370 1.371 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711449274 962704931 /nfs/dbraw/zinc/70/49/31/962704931.db2.gz DLSZFEYMVBTTTE-CHWSQXEVSA-N 2 1 246.370 1.371 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167953674 962741454 /nfs/dbraw/zinc/74/14/54/962741454.db2.gz VILVWHMMAOZMKT-FOPUMGAHSA-N 2 1 206.333 1.278 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167953674 962741468 /nfs/dbraw/zinc/74/14/68/962741468.db2.gz VILVWHMMAOZMKT-FOPUMGAHSA-N 2 1 206.333 1.278 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167953674 962741491 /nfs/dbraw/zinc/74/14/91/962741491.db2.gz VILVWHMMAOZMKT-FOPUMGAHSA-N 2 1 206.333 1.278 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1COC[C@H]1C ZINC000688050061 962845393 /nfs/dbraw/zinc/84/53/93/962845393.db2.gz SHDOLNRCAHHIEQ-VXGBXAGGSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712818208 962985088 /nfs/dbraw/zinc/98/50/88/962985088.db2.gz RDVKWGSQOMPYNJ-RYUDHWBXSA-N 2 1 240.347 1.095 20 0 BDADMP C[C@H]1C[N@H+](Cc2cnsc2)C[C@H]1C[NH3+] ZINC000712924093 963012554 /nfs/dbraw/zinc/01/25/54/963012554.db2.gz VOEJQIXTGMWMJQ-WCBMZHEXSA-N 2 1 211.334 1.170 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cnsc2)C[C@H]1C[NH3+] ZINC000712924093 963012560 /nfs/dbraw/zinc/01/25/60/963012560.db2.gz VOEJQIXTGMWMJQ-WCBMZHEXSA-N 2 1 211.334 1.170 20 0 BDADMP CCc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc(C)[nH+]1 ZINC001155586247 963118700 /nfs/dbraw/zinc/11/87/00/963118700.db2.gz LGZWVFSEBUIKAZ-WXHSDQCUSA-N 2 1 246.358 1.757 20 0 BDADMP COC[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000696498783 963155433 /nfs/dbraw/zinc/15/54/33/963155433.db2.gz WXCLNTUGKPMYHD-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)CC1=CCCOC1 ZINC000696908843 963562139 /nfs/dbraw/zinc/56/21/39/963562139.db2.gz MWAAFGGLIURLMK-UHFFFAOYSA-N 2 1 224.348 1.407 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)CC1=CCCOC1 ZINC000696908843 963562148 /nfs/dbraw/zinc/56/21/48/963562148.db2.gz MWAAFGGLIURLMK-UHFFFAOYSA-N 2 1 224.348 1.407 20 0 BDADMP Cc1c[nH+]c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1N ZINC001157272122 963568148 /nfs/dbraw/zinc/56/81/48/963568148.db2.gz LAMFQBBSMDDHFZ-DGCLKSJQSA-N 2 1 246.358 1.503 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CCC[NH+](C)C)CCO1 ZINC001168107866 963740995 /nfs/dbraw/zinc/74/09/95/963740995.db2.gz YWMBPLQWIAQGAE-NWDGAFQWSA-N 2 1 214.353 1.437 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@H](C)C3)C[C@@H]2C1 ZINC001168147056 963864648 /nfs/dbraw/zinc/86/46/48/963864648.db2.gz YSRBUTJJMJSDBO-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCO[C@H](C)C3)C[C@@H]2C1 ZINC001168147056 963864653 /nfs/dbraw/zinc/86/46/53/963864653.db2.gz YSRBUTJJMJSDBO-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCO[C@H](C)C3)C[C@@H]2C1 ZINC001168147056 963864656 /nfs/dbraw/zinc/86/46/56/963864656.db2.gz YSRBUTJJMJSDBO-YIYPIFLZSA-N 2 1 238.375 1.437 20 0 BDADMP CC[N@@H+]1CCN(c2cccc(N)[nH+]2)C(C)(C)C1 ZINC001158563153 963887458 /nfs/dbraw/zinc/88/74/58/963887458.db2.gz ZQKNXGRYCCQJPD-UHFFFAOYSA-N 2 1 234.347 1.584 20 0 BDADMP CC[N@H+]1CCN(c2cccc(N)[nH+]2)C(C)(C)C1 ZINC001158563153 963887460 /nfs/dbraw/zinc/88/74/60/963887460.db2.gz ZQKNXGRYCCQJPD-UHFFFAOYSA-N 2 1 234.347 1.584 20 0 BDADMP C[NH+](C)CCC(C)(C)Nc1ccc(N)c[nH+]1 ZINC001158754527 963912778 /nfs/dbraw/zinc/91/27/78/963912778.db2.gz ZGOZHSTZUMIETH-UHFFFAOYSA-N 2 1 222.336 1.806 20 0 BDADMP Nc1ccc[nH+]c1NCC12CC[NH+](CC1)CC2 ZINC001158824005 963935355 /nfs/dbraw/zinc/93/53/55/963935355.db2.gz JGGATNWKCKJQHN-UHFFFAOYSA-N 2 1 232.331 1.562 20 0 BDADMP Cc1c[nH+]c(N2CC3(C2)CCC[NH2+]C3)c(N)c1 ZINC001159025164 963972119 /nfs/dbraw/zinc/97/21/19/963972119.db2.gz JVGHMEHQKIBAAB-UHFFFAOYSA-N 2 1 232.331 1.162 20 0 BDADMP C[C@H]1CC[C@@H](CO)[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168315085 964428308 /nfs/dbraw/zinc/42/83/08/964428308.db2.gz RGDYUOFCFGNBGA-ABXWRUBCSA-N 2 1 240.391 1.704 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)CC2COC2)CC1 ZINC001168326542 964454682 /nfs/dbraw/zinc/45/46/82/964454682.db2.gz ARKUSTBJXKUFCP-UHFFFAOYSA-N 2 1 226.364 1.437 20 0 BDADMP Cc1c[nH+]c(NC/C=C/C[NH3+])nc1NC1CC1 ZINC001160978090 964465492 /nfs/dbraw/zinc/46/54/92/964465492.db2.gz VTOQCWHXRJQWKG-NSCUHMNNSA-N 2 1 233.319 1.286 20 0 BDADMP C[C@H](CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000697909267 964676322 /nfs/dbraw/zinc/67/63/22/964676322.db2.gz OPBZYSCCGWPZIU-UPJWGTAASA-N 2 1 227.396 1.399 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000160072715 964790983 /nfs/dbraw/zinc/79/09/83/964790983.db2.gz OWWNIOOTTFONQO-NSHDSACASA-N 2 1 220.316 1.563 20 0 BDADMP Cc1cnc(N[C@@]2(C)CCC[N@H+](C)C2)c(C[NH3+])c1 ZINC001162336513 964937659 /nfs/dbraw/zinc/93/76/59/964937659.db2.gz BVABRKUWCVCBHT-AWEZNQCLSA-N 2 1 248.374 1.745 20 0 BDADMP CC(=O)OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371420 964940226 /nfs/dbraw/zinc/94/02/26/964940226.db2.gz LBLSZBHWJMIGRZ-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]c2ccc3c(=O)[nH]cc-3[nH]2)C1 ZINC001162391464 964951937 /nfs/dbraw/zinc/95/19/37/964951937.db2.gz MQXMXHRPWJGADD-BDAKNGLRSA-N 2 1 246.314 1.007 20 0 BDADMP Nc1cc(Cl)cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001162391903 964953453 /nfs/dbraw/zinc/95/34/53/964953453.db2.gz ONYRLPXCLQLFON-DTWKUNHWSA-N 2 1 240.738 1.999 20 0 BDADMP COc1ccc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]c1C ZINC001162559410 965051178 /nfs/dbraw/zinc/05/11/78/965051178.db2.gz OOVLAKUQAQZSCL-MWLCHTKSSA-N 2 1 235.331 1.809 20 0 BDADMP C[C@@H]1C[C@@H](CNc2[nH+]ccc3cc[nH]c32)C[NH2+]1 ZINC001162560067 965054657 /nfs/dbraw/zinc/05/46/57/965054657.db2.gz YCMJPMROTJRBSF-NXEZZACHSA-N 2 1 230.315 1.973 20 0 BDADMP Cc1ccc[nH+]c1N[C@H]1COCCC12C[NH2+]C2 ZINC001163066622 965252032 /nfs/dbraw/zinc/25/20/32/965252032.db2.gz VZVIFRKCNNFXMQ-NSHDSACASA-N 2 1 233.315 1.180 20 0 BDADMP Cc1cc([NH2+]C[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc1N ZINC001163104661 965258042 /nfs/dbraw/zinc/25/80/42/965258042.db2.gz BCBWWOOPUZLTLU-MPKXVKKWSA-N 2 1 247.342 1.224 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000698774729 965496566 /nfs/dbraw/zinc/49/65/66/965496566.db2.gz MLTLMTXRILUAKD-MWGHHZFTSA-N 2 1 248.317 1.468 20 0 BDADMP OCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000714958997 965558625 /nfs/dbraw/zinc/55/86/25/965558625.db2.gz CMEQAAFYNSBWRV-QWHCGFSZSA-N 2 1 226.364 1.223 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000714960807 965569302 /nfs/dbraw/zinc/56/93/02/965569302.db2.gz JUZKDJJJDYCNEI-FRRDWIJNSA-N 2 1 240.391 1.467 20 0 BDADMP CCCOCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000714986483 965577232 /nfs/dbraw/zinc/57/72/32/965577232.db2.gz PRBVHMVLIKFBBK-LBPRGKRZSA-N 2 1 214.353 1.487 20 0 BDADMP Cc1[nH+]ccn1CCNc1ccc[n+](C)c1 ZINC001163933418 965647304 /nfs/dbraw/zinc/64/73/04/965647304.db2.gz SWLYREIJUINACE-UHFFFAOYSA-N 2 1 217.296 1.128 20 0 BDADMP COc1[nH+]ccc(N(CCC[NH3+])C(C)C)c1N ZINC001164122366 965730466 /nfs/dbraw/zinc/73/04/66/965730466.db2.gz BCYODHDTJUBRQR-UHFFFAOYSA-N 2 1 238.335 1.236 20 0 BDADMP COc1cccnc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095150 965740161 /nfs/dbraw/zinc/74/01/61/965740161.db2.gz UVAGPPHCUIEKLV-NSHDSACASA-N 2 1 235.331 1.403 20 0 BDADMP COc1cccnc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095150 965740170 /nfs/dbraw/zinc/74/01/70/965740170.db2.gz UVAGPPHCUIEKLV-NSHDSACASA-N 2 1 235.331 1.403 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2[nH]nc3ccccc32)CC1 ZINC001205102914 965803757 /nfs/dbraw/zinc/80/37/57/965803757.db2.gz WHONHUBKZSLOFZ-LLVKDONJSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2[nH]nc3ccccc32)CC1 ZINC001205102914 965803764 /nfs/dbraw/zinc/80/37/64/965803764.db2.gz WHONHUBKZSLOFZ-LLVKDONJSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2n[nH]c3ccccc32)CC1 ZINC001205102914 965803780 /nfs/dbraw/zinc/80/37/80/965803780.db2.gz WHONHUBKZSLOFZ-LLVKDONJSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2n[nH]c3ccccc32)CC1 ZINC001205102914 965803785 /nfs/dbraw/zinc/80/37/85/965803785.db2.gz WHONHUBKZSLOFZ-LLVKDONJSA-N 2 1 244.342 1.876 20 0 BDADMP C[C@@H]1COCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263126 965826690 /nfs/dbraw/zinc/82/66/90/965826690.db2.gz HQQZEZFJEQJPCG-FUDCBSFHSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3cccnc23)CC1 ZINC001205110098 965836213 /nfs/dbraw/zinc/83/62/13/965836213.db2.gz OOUZOJNSQBYQDN-LBPRGKRZSA-N 2 1 244.342 1.876 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1cnccn1 ZINC000699372184 965854126 /nfs/dbraw/zinc/85/41/26/965854126.db2.gz DHEYABCTEXUCHM-UHFFFAOYSA-N 2 1 222.336 1.428 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c2OCC3)CC1 ZINC001205124481 965890417 /nfs/dbraw/zinc/89/04/17/965890417.db2.gz SETOVNPWDKEORP-CQSZACIVSA-N 2 1 246.354 1.935 20 0 BDADMP C[C@@H]1CC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001235039699 965988628 /nfs/dbraw/zinc/98/86/28/965988628.db2.gz XMPUGZMZCVSXPY-MHDGFBEUSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001235039699 965988646 /nfs/dbraw/zinc/98/86/46/965988646.db2.gz XMPUGZMZCVSXPY-MHDGFBEUSA-N 2 1 238.375 1.626 20 0 BDADMP c1ccc2c(c1)CC(C[N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001235039585 965992309 /nfs/dbraw/zinc/99/23/09/965992309.db2.gz VVPHEJCOXPARLU-JKSUJKDBSA-N 2 1 242.366 1.838 20 0 BDADMP c1ccc2c(c1)CC(C[N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001235039585 965992322 /nfs/dbraw/zinc/99/23/22/965992322.db2.gz VVPHEJCOXPARLU-JKSUJKDBSA-N 2 1 242.366 1.838 20 0 BDADMP Cc1c[nH+]c(N2CCC(F)(C[NH3+])CC2)c(C)c1 ZINC001165263328 966013524 /nfs/dbraw/zinc/01/35/24/966013524.db2.gz NYPJQHILMTYNLW-UHFFFAOYSA-N 2 1 237.322 1.966 20 0 BDADMP C[N@H+](CC1(C)CC[NH2+]CC1)[C@H]1CCCNC1 ZINC001235341535 966046459 /nfs/dbraw/zinc/04/64/59/966046459.db2.gz BCMVTBOUQMXCOX-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC1(C)CC[NH2+]CC1)[C@H]1CCCNC1 ZINC001235341535 966046474 /nfs/dbraw/zinc/04/64/74/966046474.db2.gz BCMVTBOUQMXCOX-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC[N@H+]2C1 ZINC000829383717 966051304 /nfs/dbraw/zinc/05/13/04/966051304.db2.gz UPFGDVNHQLNVIG-MBOZISHXSA-N 2 1 249.402 1.440 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000699742072 966051347 /nfs/dbraw/zinc/05/13/47/966051347.db2.gz KUNPUXJKZQZATL-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C[NH3+])C[NH+](CCCc2ccccc2)C1 ZINC001206710962 966184943 /nfs/dbraw/zinc/18/49/43/966184943.db2.gz BSCCELYAAPCHML-UHFFFAOYSA-N 2 1 218.344 1.900 20 0 BDADMP CC1(C[NH3+])CN(CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001206711146 966193379 /nfs/dbraw/zinc/19/33/79/966193379.db2.gz FUFJXVXRLASPIL-UHFFFAOYSA-N 2 1 237.391 1.047 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](CC1Cc3ccccc3C1)C2 ZINC001236014173 966221791 /nfs/dbraw/zinc/22/17/91/966221791.db2.gz GJMQWZAUYHEKEP-GJZGRUSLSA-N 2 1 228.339 1.434 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](CC1Cc3ccccc3C1)C2 ZINC001236014173 966221810 /nfs/dbraw/zinc/22/18/10/966221810.db2.gz GJMQWZAUYHEKEP-GJZGRUSLSA-N 2 1 228.339 1.434 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc(N)c2)C1 ZINC001236045844 966253444 /nfs/dbraw/zinc/25/34/44/966253444.db2.gz DISNOOLBBSPUEL-GWCFXTLKSA-N 2 1 219.332 1.438 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc(N)c2)C1 ZINC001236045844 966253455 /nfs/dbraw/zinc/25/34/55/966253455.db2.gz DISNOOLBBSPUEL-GWCFXTLKSA-N 2 1 219.332 1.438 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001236097698 966265993 /nfs/dbraw/zinc/26/59/93/966265993.db2.gz MBXDUMHQLZFJMO-GFCCVEGCSA-N 2 1 233.359 1.683 20 0 BDADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccn3C)C[C@@H]2C1 ZINC001203271336 966591249 /nfs/dbraw/zinc/59/12/49/966591249.db2.gz YOKBWYLHEBYKPH-OKILXGFUSA-N 2 1 247.386 1.799 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccn3C)C[C@@H]2C1 ZINC001203271336 966591263 /nfs/dbraw/zinc/59/12/63/966591263.db2.gz YOKBWYLHEBYKPH-OKILXGFUSA-N 2 1 247.386 1.799 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2C1 ZINC001203271336 966591274 /nfs/dbraw/zinc/59/12/74/966591274.db2.gz YOKBWYLHEBYKPH-OKILXGFUSA-N 2 1 247.386 1.799 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccn3C)C[C@@H]2C1 ZINC001203271336 966591278 /nfs/dbraw/zinc/59/12/78/966591278.db2.gz YOKBWYLHEBYKPH-OKILXGFUSA-N 2 1 247.386 1.799 20 0 BDADMP C1=C2NCC[N@H+](CC3CC[NH2+]CC3)[C@@H]2CCC1 ZINC001237220390 966648625 /nfs/dbraw/zinc/64/86/25/966648625.db2.gz QVSBHGCALOGUQR-CQSZACIVSA-N 2 1 235.375 1.328 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001204006931 966846001 /nfs/dbraw/zinc/84/60/01/966846001.db2.gz DVOORUNQQQFBOP-UHFFFAOYSA-N 2 1 233.359 1.932 20 0 BDADMP CCC(CC)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205211827 966854749 /nfs/dbraw/zinc/85/47/49/966854749.db2.gz WOYLISMYVHGRMD-ZDUSSCGKSA-N 2 1 228.380 1.598 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCSC3)[C@H]2C1 ZINC001204089817 966891106 /nfs/dbraw/zinc/89/11/06/966891106.db2.gz RKENJFLURRXQGD-VOAKCMCISA-N 2 1 240.416 1.669 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccnn1C ZINC001204104324 966893566 /nfs/dbraw/zinc/89/35/66/966893566.db2.gz POANISQUMRPLEX-GFCCVEGCSA-N 2 1 238.379 1.630 20 0 BDADMP Cc1cc(Nc2cc[nH+]cc2)c[nH+]c1N ZINC001249778605 967052392 /nfs/dbraw/zinc/05/23/92/967052392.db2.gz JRQUNXJJUPSBAY-UHFFFAOYSA-N 2 1 200.245 1.533 20 0 BDADMP Cc1c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cnn1C ZINC001204568710 967055038 /nfs/dbraw/zinc/05/50/38/967055038.db2.gz FJZIYTPYROMXPF-OCCSQVGLSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cnn1C ZINC001204568710 967055051 /nfs/dbraw/zinc/05/50/51/967055051.db2.gz FJZIYTPYROMXPF-OCCSQVGLSA-N 2 1 248.374 1.112 20 0 BDADMP Cc1c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cnn1C ZINC001204568710 967055059 /nfs/dbraw/zinc/05/50/59/967055059.db2.gz FJZIYTPYROMXPF-OCCSQVGLSA-N 2 1 248.374 1.112 20 0 BDADMP C[C@H](C[NH2+]Cc1cccc2c1OCC2)C[NH+](C)C ZINC000693082015 967095591 /nfs/dbraw/zinc/09/55/91/967095591.db2.gz RKSNLHXWKGZDCN-GFCCVEGCSA-N 2 1 248.370 1.909 20 0 BDADMP Cc1nc[nH]c1CN1CC[N@H+](C)CC12CCCC2 ZINC001204603558 967096878 /nfs/dbraw/zinc/09/68/78/967096878.db2.gz QCWMCCXQVCSLLG-UHFFFAOYSA-N 2 1 248.374 1.778 20 0 BDADMP C[C@]1([NH3+])CC[N@H+](CCCc2ccncc2)C1 ZINC001204764310 967150048 /nfs/dbraw/zinc/15/00/48/967150048.db2.gz WASUFCWYTYEPAH-ZDUSSCGKSA-N 2 1 219.332 1.437 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+](CCCc2ccncc2)C1 ZINC001204764310 967150058 /nfs/dbraw/zinc/15/00/58/967150058.db2.gz WASUFCWYTYEPAH-ZDUSSCGKSA-N 2 1 219.332 1.437 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC000715557517 967158777 /nfs/dbraw/zinc/15/87/77/967158777.db2.gz JMBXTSXPNYXUMW-AHPWVWPOSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000715560170 967159351 /nfs/dbraw/zinc/15/93/51/967159351.db2.gz YWSVDNOYVKXQOZ-SYQHCUMBSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001204946503 967252045 /nfs/dbraw/zinc/25/20/45/967252045.db2.gz PFHHBPQODLGUHI-OAHLLOKOSA-N 2 1 245.370 1.968 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001204946503 967252036 /nfs/dbraw/zinc/25/20/36/967252036.db2.gz PFHHBPQODLGUHI-OAHLLOKOSA-N 2 1 245.370 1.968 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2cnc(Cl)nc2)CC1 ZINC001205041644 967301382 /nfs/dbraw/zinc/30/13/82/967301382.db2.gz ZFNWGPCQRHNFRH-UHFFFAOYSA-N 2 1 240.738 1.301 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(CO)cc1 ZINC001205063933 967316567 /nfs/dbraw/zinc/31/65/67/967316567.db2.gz FYMOTIWCDPKNMD-FZMZJTMJSA-N 2 1 234.343 1.491 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(CO)cc1 ZINC001205063933 967316578 /nfs/dbraw/zinc/31/65/78/967316578.db2.gz FYMOTIWCDPKNMD-FZMZJTMJSA-N 2 1 234.343 1.491 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC001205083504 967334847 /nfs/dbraw/zinc/33/48/47/967334847.db2.gz UPBQUSSLRKDFDU-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc2c(c1)CCN2 ZINC001205083504 967334859 /nfs/dbraw/zinc/33/48/59/967334859.db2.gz UPBQUSSLRKDFDU-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC001205083504 967334868 /nfs/dbraw/zinc/33/48/68/967334868.db2.gz UPBQUSSLRKDFDU-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2c(c1)CCN2 ZINC001205083504 967334879 /nfs/dbraw/zinc/33/48/79/967334879.db2.gz UPBQUSSLRKDFDU-FZMZJTMJSA-N 2 1 245.370 1.966 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094859 967340312 /nfs/dbraw/zinc/34/03/12/967340312.db2.gz RGXQIAXDUVOXPO-CQSZACIVSA-N 3 1 239.407 1.532 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)CC1 ZINC001205123959 967368854 /nfs/dbraw/zinc/36/88/54/967368854.db2.gz HUAVJBFXCGTZCQ-AWEZNQCLSA-N 2 1 245.370 1.968 20 0 BDADMP C[C@H]1CN(Cc2[nH+]cc3ccccn32)C[C@H]1C[NH3+] ZINC001205136117 967381943 /nfs/dbraw/zinc/38/19/43/967381943.db2.gz PCPBRNXTNGBCDE-NWDGAFQWSA-N 2 1 244.342 1.361 20 0 BDADMP C[C@H]1C[N@H+](Cc2cc(O)cc(O)c2)C[C@H]1C[NH3+] ZINC001205135893 967382216 /nfs/dbraw/zinc/38/22/16/967382216.db2.gz CXFFECCDJAUWHN-GXSJLCMTSA-N 2 1 236.315 1.124 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cc(O)cc(O)c2)C[C@H]1C[NH3+] ZINC001205135893 967382230 /nfs/dbraw/zinc/38/22/30/967382230.db2.gz CXFFECCDJAUWHN-GXSJLCMTSA-N 2 1 236.315 1.124 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(O)c2F)C[C@H]1C[NH3+] ZINC001205145696 967387583 /nfs/dbraw/zinc/38/75/83/967387583.db2.gz BABKAMCPSHPBFH-GXSJLCMTSA-N 2 1 238.306 1.558 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2F)C[C@H]1C[NH3+] ZINC001205145696 967387592 /nfs/dbraw/zinc/38/75/92/967387592.db2.gz BABKAMCPSHPBFH-GXSJLCMTSA-N 2 1 238.306 1.558 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1O ZINC001205140517 967390900 /nfs/dbraw/zinc/39/09/00/967390900.db2.gz LHEOXMUADHAYOH-WCQYABFASA-N 2 1 234.343 1.727 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3nccn3c2)C[C@H]1C[NH3+] ZINC001205140509 967391929 /nfs/dbraw/zinc/39/19/29/967391929.db2.gz KNOPNXAJQDFWEL-WCQYABFASA-N 2 1 244.342 1.361 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209485 967427960 /nfs/dbraw/zinc/42/79/60/967427960.db2.gz JUNRRBOFFFUWLJ-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CCCCCO)CC1 ZINC001205255448 967447881 /nfs/dbraw/zinc/44/78/81/967447881.db2.gz IZCAYSSNKMQYKP-GFCCVEGCSA-N 2 1 214.353 1.352 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205264264 967454743 /nfs/dbraw/zinc/45/47/43/967454743.db2.gz IPAPLZPUJYTZRF-ZDUSSCGKSA-N 2 1 237.347 1.995 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ncccc2N)CC1 ZINC001205266944 967457694 /nfs/dbraw/zinc/45/76/94/967457694.db2.gz YNEHLUUEZQDTLV-ZDUSSCGKSA-N 2 1 234.347 1.367 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC001205280642 967471070 /nfs/dbraw/zinc/47/10/70/967471070.db2.gz FARNZECQEDMIML-ZDUSSCGKSA-N 2 1 234.347 1.367 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545541 967690281 /nfs/dbraw/zinc/69/02/81/967690281.db2.gz JBVNRDMTOOJYJG-GFCCVEGCSA-N 2 1 240.326 1.073 20 0 BDADMP COCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205603114 967718266 /nfs/dbraw/zinc/71/82/66/967718266.db2.gz NUCVDPIXFQWBHK-CHWSQXEVSA-N 2 1 228.380 1.720 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC=CO2)CC[C@@H]1C[NH3+] ZINC001205602266 967720675 /nfs/dbraw/zinc/72/06/75/967720675.db2.gz IDXOLPBOHGMGAV-MCIONIFRSA-N 2 1 238.375 1.986 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnccc2N)CC[C@@H]1C[NH3+] ZINC001205618575 967724503 /nfs/dbraw/zinc/72/45/03/967724503.db2.gz XGVFYPRDMLMERG-NWDGAFQWSA-N 2 1 248.374 1.301 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cncnc2)CC[C@@H]1C[NH3+] ZINC001205618970 967725740 /nfs/dbraw/zinc/72/57/40/967725740.db2.gz ZSHQUAWXYNETGC-DGCLKSJQSA-N 2 1 234.347 1.283 20 0 BDADMP Cc1nccnc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205629481 967736868 /nfs/dbraw/zinc/73/68/68/967736868.db2.gz ZEJLMBXHHIIAGH-WCQYABFASA-N 2 1 248.374 1.592 20 0 BDADMP Cc1ncccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205673785 967762222 /nfs/dbraw/zinc/76/22/22/967762222.db2.gz UKKWRVAFNYSXJY-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ncccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673786 967763722 /nfs/dbraw/zinc/76/37/22/967763722.db2.gz UKKWRVAFNYSXJY-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H](C)OC ZINC001205692062 967787486 /nfs/dbraw/zinc/78/74/86/967787486.db2.gz BETUCQLXDUWILX-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](Nc2cc3c(c[nH+]2)CC(=O)N3)C1 ZINC001162396336 967826278 /nfs/dbraw/zinc/82/62/78/967826278.db2.gz YPPGWJSYZARCFS-NXEZZACHSA-N 2 1 246.314 1.258 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205843933 967851402 /nfs/dbraw/zinc/85/14/02/967851402.db2.gz UVNBWVURQHNYRB-GXFFZTMASA-N 2 1 249.358 1.655 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205843933 967851407 /nfs/dbraw/zinc/85/14/07/967851407.db2.gz UVNBWVURQHNYRB-GXFFZTMASA-N 2 1 249.358 1.655 20 0 BDADMP COC1CC(C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000703840834 967878577 /nfs/dbraw/zinc/87/85/77/967878577.db2.gz PDCASQLNDVHPCW-HTAVTVPLSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(N)c1 ZINC001205916116 967883696 /nfs/dbraw/zinc/88/36/96/967883696.db2.gz RXFCOWLHLNUGNP-WCQYABFASA-N 2 1 233.359 1.828 20 0 BDADMP CC[C@H](N)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981756 967919873 /nfs/dbraw/zinc/91/98/73/967919873.db2.gz GSROHKQVZDAJFK-SRVKXCTJSA-N 2 1 213.369 1.031 20 0 BDADMP CC[C@H]([NH3+])CN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981756 967919888 /nfs/dbraw/zinc/91/98/88/967919888.db2.gz GSROHKQVZDAJFK-SRVKXCTJSA-N 2 1 213.369 1.031 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCC[C@H]1C[NH3+] ZINC001205984993 967929947 /nfs/dbraw/zinc/92/99/47/967929947.db2.gz URFOHJMVQLZXGF-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)[nH]n1 ZINC001205982514 967935324 /nfs/dbraw/zinc/93/53/24/967935324.db2.gz MGJUNUAGTKMMLO-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)n[nH]1 ZINC001205982514 967935340 /nfs/dbraw/zinc/93/53/40/967935340.db2.gz MGJUNUAGTKMMLO-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)n[nH]1 ZINC001205982514 967935361 /nfs/dbraw/zinc/93/53/61/967935361.db2.gz MGJUNUAGTKMMLO-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCC[C@H]1C[NH3+] ZINC001205985621 967936609 /nfs/dbraw/zinc/93/66/09/967936609.db2.gz YZOUREBUGYTQEL-UPJWGTAASA-N 2 1 226.364 1.330 20 0 BDADMP Cc1nccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001205996720 967952488 /nfs/dbraw/zinc/95/24/88/967952488.db2.gz XYLQFVLXQNNQCZ-DGCLKSJQSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1CC1CC[NH+](C)CC1 ZINC001205058430 967953530 /nfs/dbraw/zinc/95/35/30/967953530.db2.gz MFRLPLYGTDEGPP-AAEUAGOBSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1CC1CC[NH+](C)CC1 ZINC001205058430 967953540 /nfs/dbraw/zinc/95/35/40/967953540.db2.gz MFRLPLYGTDEGPP-AAEUAGOBSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnco2)CCC[C@@H]1C[NH3+] ZINC001206004779 967960015 /nfs/dbraw/zinc/96/00/15/967960015.db2.gz VIUPGCCHIFUMPB-GHMZBOCLSA-N 2 1 223.320 1.481 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003396 967960852 /nfs/dbraw/zinc/96/08/52/967960852.db2.gz HMNPVRXMQOYXJW-PWSUYJOCSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003395 967963015 /nfs/dbraw/zinc/96/30/15/967963015.db2.gz HMNPVRXMQOYXJW-JQWIXIFHSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC001206028232 967986338 /nfs/dbraw/zinc/98/63/38/967986338.db2.gz XVFBDQRXUSTIEO-ZYHUDNBSSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697925360 968049974 /nfs/dbraw/zinc/04/99/74/968049974.db2.gz BDQOKUKRNSNYKC-JTQLQIEISA-N 2 1 238.379 1.467 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(N(C)CCC[NH+](C)C)c12 ZINC001163595231 968080205 /nfs/dbraw/zinc/08/02/05/968080205.db2.gz HTNGHSZIUTUFOT-UHFFFAOYSA-N 2 1 247.346 1.654 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2cccnc2)CC[C@H]1F ZINC001206167069 968103534 /nfs/dbraw/zinc/10/35/34/968103534.db2.gz WUULHLMQCZHEBI-NEPJUHHUSA-N 2 1 223.295 1.343 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2cccnc2)CC[C@H]1F ZINC001206167069 968103544 /nfs/dbraw/zinc/10/35/44/968103544.db2.gz WUULHLMQCZHEBI-NEPJUHHUSA-N 2 1 223.295 1.343 20 0 BDADMP Cc1[nH+]ccn1CCNc1ccc2c(c1)C[NH2+]C2 ZINC001163922819 968137483 /nfs/dbraw/zinc/13/74/83/968137483.db2.gz BEDMCOVTHYJVOM-UHFFFAOYSA-N 2 1 242.326 1.907 20 0 BDADMP N[C@@]1(C(F)(F)F)CC[N@@H+](CCCCC[NH3+])C1 ZINC001206222475 968151463 /nfs/dbraw/zinc/15/14/63/968151463.db2.gz OUALAQVMTYAANN-VIFPVBQESA-N 2 1 239.285 1.081 20 0 BDADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001206276106 968189688 /nfs/dbraw/zinc/18/96/88/968189688.db2.gz BYIQWPLWEKRDQP-LBPRGKRZSA-N 3 1 233.359 1.187 20 0 BDADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001206276106 968189691 /nfs/dbraw/zinc/18/96/91/968189691.db2.gz BYIQWPLWEKRDQP-LBPRGKRZSA-N 3 1 233.359 1.187 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCCCO)CC1 ZINC001206294116 968194176 /nfs/dbraw/zinc/19/41/76/968194176.db2.gz JGGRQFBSGINAOW-ZDUSSCGKSA-N 2 1 228.380 1.600 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206303590 968209221 /nfs/dbraw/zinc/20/92/21/968209221.db2.gz DHEYFVUQQLJIIV-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206303590 968209227 /nfs/dbraw/zinc/20/92/27/968209227.db2.gz DHEYFVUQQLJIIV-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206303590 968209236 /nfs/dbraw/zinc/20/92/36/968209236.db2.gz DHEYFVUQQLJIIV-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc[nH]c2)CC1 ZINC001206310876 968217127 /nfs/dbraw/zinc/21/71/27/968217127.db2.gz DVBMYWLLNRDNBH-CYBMUJFWSA-N 2 1 221.348 1.966 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2csnn2)CC1 ZINC001206311042 968219509 /nfs/dbraw/zinc/21/95/09/968219509.db2.gz GXEUZCWQTXYBFX-LLVKDONJSA-N 2 1 240.376 1.489 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2csnn2)CC1 ZINC001206311042 968219516 /nfs/dbraw/zinc/21/95/16/968219516.db2.gz GXEUZCWQTXYBFX-LLVKDONJSA-N 2 1 240.376 1.489 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@@H]2CCCO2)C1 ZINC001206337696 968245222 /nfs/dbraw/zinc/24/52/22/968245222.db2.gz VJPKGWQQIYZPOL-RYUDHWBXSA-N 2 1 230.327 1.318 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC001206337696 968245237 /nfs/dbraw/zinc/24/52/37/968245237.db2.gz VJPKGWQQIYZPOL-RYUDHWBXSA-N 2 1 230.327 1.318 20 0 BDADMP CC(C)c1ccccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530969 968359447 /nfs/dbraw/zinc/35/94/47/968359447.db2.gz YHPYKPMXKFQDLK-ZFWWWQNUSA-N 2 1 248.370 1.561 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCCC[NH3+])C1 ZINC001206541732 968367627 /nfs/dbraw/zinc/36/76/27/968367627.db2.gz IODMXKGSSWQZDP-LBPRGKRZSA-N 3 1 213.369 1.176 20 0 BDADMP C[C@@]1(CN)CCCC[N@H+](CCCC[NH3+])C1 ZINC001206541732 968367635 /nfs/dbraw/zinc/36/76/35/968367635.db2.gz IODMXKGSSWQZDP-LBPRGKRZSA-N 2 1 213.369 1.176 20 0 BDADMP C[C@@]1(CN)CCCC[N@@H+](CCCC[NH3+])C1 ZINC001206541732 968367645 /nfs/dbraw/zinc/36/76/45/968367645.db2.gz IODMXKGSSWQZDP-LBPRGKRZSA-N 2 1 213.369 1.176 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cncnc2)C1 ZINC001206547656 968370807 /nfs/dbraw/zinc/37/08/07/968370807.db2.gz FCEMNBACXHMNGD-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cncnc2)C1 ZINC001206547656 968370821 /nfs/dbraw/zinc/37/08/21/968370821.db2.gz FCEMNBACXHMNGD-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ncccc2[O-])C1 ZINC001206617052 968418987 /nfs/dbraw/zinc/41/89/87/968418987.db2.gz ZCEDYFXPLZAOGM-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ncccc2O)C1 ZINC001206617052 968418989 /nfs/dbraw/zinc/41/89/89/968418989.db2.gz ZCEDYFXPLZAOGM-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ncccc2O)C1 ZINC001206617052 968418993 /nfs/dbraw/zinc/41/89/93/968418993.db2.gz ZCEDYFXPLZAOGM-NSHDSACASA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccnc2F)C1 ZINC001206616927 968420766 /nfs/dbraw/zinc/42/07/66/968420766.db2.gz ULCHMPGFAQSWMW-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccnc2F)C1 ZINC001206616927 968420772 /nfs/dbraw/zinc/42/07/72/968420772.db2.gz ULCHMPGFAQSWMW-LLVKDONJSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccnc(F)c2)C1 ZINC001206622388 968424579 /nfs/dbraw/zinc/42/45/79/968424579.db2.gz BBSXRINOFPFGIM-GFCCVEGCSA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC001206622388 968424586 /nfs/dbraw/zinc/42/45/86/968424586.db2.gz BBSXRINOFPFGIM-GFCCVEGCSA-N 2 1 237.322 1.782 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1-n1c[nH+]cc1N ZINC001206723408 968440833 /nfs/dbraw/zinc/44/08/33/968440833.db2.gz OXCBUGJDBYCKTA-UHFFFAOYSA-N 2 1 217.276 1.224 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)n1C ZINC001206795663 968482259 /nfs/dbraw/zinc/48/22/59/968482259.db2.gz JUUYONLVGHIRAJ-TZMCWYRMSA-N 2 1 248.374 1.112 20 0 BDADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCCOCC1 ZINC000085869329 968506947 /nfs/dbraw/zinc/50/69/47/968506947.db2.gz DGWOTZPIDXDBKB-OTTFEQOBSA-N 2 1 226.364 1.757 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@@H]1CO ZINC001207276553 968712954 /nfs/dbraw/zinc/71/29/54/968712954.db2.gz ZFQWMJHGGUNHTR-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@]1(C)O ZINC001207436508 968770944 /nfs/dbraw/zinc/77/09/44/968770944.db2.gz KULRJBCZPLIRCD-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCC1=O ZINC001207436879 968771366 /nfs/dbraw/zinc/77/13/66/968771366.db2.gz VVWGNRVPEXLCJQ-LLVKDONJSA-N 2 1 224.348 1.287 20 0 BDADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2CC1CC[NH2+]CC1 ZINC001207439099 968774798 /nfs/dbraw/zinc/77/47/98/968774798.db2.gz MPOTZLMRDGXPLB-KBPBESRZSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001207479445 968791979 /nfs/dbraw/zinc/79/19/79/968791979.db2.gz IZLBOKNCYNXZMX-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001207479760 968792665 /nfs/dbraw/zinc/79/26/65/968792665.db2.gz MYQMOLUBOXYVPR-OLZOCXBDSA-N 2 1 244.354 1.123 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001207835421 968895432 /nfs/dbraw/zinc/89/54/32/968895432.db2.gz CBQBETLIYSJQOA-QNWHQSFQSA-N 2 1 226.364 1.341 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCCn3cccn3)C2)C1 ZINC001208077527 968980325 /nfs/dbraw/zinc/98/03/25/968980325.db2.gz HEGJFGVZODXAAL-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCCn3cccn3)C2)C1 ZINC001208077527 968980334 /nfs/dbraw/zinc/98/03/34/968980334.db2.gz HEGJFGVZODXAAL-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCn3cccn3)C2)C1 ZINC001208077527 968980346 /nfs/dbraw/zinc/98/03/46/968980346.db2.gz HEGJFGVZODXAAL-AWEZNQCLSA-N 2 1 248.374 1.301 20 0 BDADMP c1cnn(CCC[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001208077358 968982269 /nfs/dbraw/zinc/98/22/69/968982269.db2.gz FJIGJMIMFFQFOH-UHFFFAOYSA-N 2 1 245.330 1.028 20 0 BDADMP c1cnn(CCC[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001208077358 968982273 /nfs/dbraw/zinc/98/22/73/968982273.db2.gz FJIGJMIMFFQFOH-UHFFFAOYSA-N 2 1 245.330 1.028 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001208107748 969002724 /nfs/dbraw/zinc/00/27/24/969002724.db2.gz KBCHBHWSNLUSFW-NWDGAFQWSA-N 2 1 244.354 1.123 20 0 BDADMP CCCOC1C[NH+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208114456 969007153 /nfs/dbraw/zinc/00/71/53/969007153.db2.gz XQYJOIVRYXWIRW-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC001208114194 969008008 /nfs/dbraw/zinc/00/80/08/969008008.db2.gz TXCJPPMDDHVIOE-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(C)(C[NH+]2CC3(CCO3)C2)CC1 ZINC001208114406 969010103 /nfs/dbraw/zinc/01/01/03/969010103.db2.gz VGBHLAINFYUKKX-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+](C)CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001208124402 969015802 /nfs/dbraw/zinc/01/58/02/969015802.db2.gz PRYUPWNOGLKBHD-HNNXBMFYSA-N 2 1 247.386 1.537 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001208593477 969151249 /nfs/dbraw/zinc/15/12/49/969151249.db2.gz TYECUTJFPBZLSG-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001208605199 969154983 /nfs/dbraw/zinc/15/49/83/969154983.db2.gz ANIFJAFNASZDCK-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001208605199 969154989 /nfs/dbraw/zinc/15/49/89/969154989.db2.gz ANIFJAFNASZDCK-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001208605199 969154994 /nfs/dbraw/zinc/15/49/94/969154994.db2.gz ANIFJAFNASZDCK-MCIONIFRSA-N 2 1 238.375 1.297 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607935 969162805 /nfs/dbraw/zinc/16/28/05/969162805.db2.gz OQNFDNSRYMPHFS-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607935 969162813 /nfs/dbraw/zinc/16/28/13/969162813.db2.gz OQNFDNSRYMPHFS-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607935 969162822 /nfs/dbraw/zinc/16/28/22/969162822.db2.gz OQNFDNSRYMPHFS-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607597 969164342 /nfs/dbraw/zinc/16/43/42/969164342.db2.gz LPXPEJFECMWVDU-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607597 969164346 /nfs/dbraw/zinc/16/43/46/969164346.db2.gz LPXPEJFECMWVDU-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607597 969164351 /nfs/dbraw/zinc/16/43/51/969164351.db2.gz LPXPEJFECMWVDU-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607934 969166607 /nfs/dbraw/zinc/16/66/07/969166607.db2.gz OQNFDNSRYMPHFS-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607934 969166615 /nfs/dbraw/zinc/16/66/15/969166615.db2.gz OQNFDNSRYMPHFS-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607934 969166620 /nfs/dbraw/zinc/16/66/20/969166620.db2.gz OQNFDNSRYMPHFS-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3OCC[C@H]3C2)C1 ZINC001208618306 969178812 /nfs/dbraw/zinc/17/88/12/969178812.db2.gz WEYWMQYDBZDZDN-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3OCC[C@H]3C2)C1 ZINC001208618306 969178820 /nfs/dbraw/zinc/17/88/20/969178820.db2.gz WEYWMQYDBZDZDN-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3OCC[C@H]3C2)C1 ZINC001208618306 969178825 /nfs/dbraw/zinc/17/88/25/969178825.db2.gz WEYWMQYDBZDZDN-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3OCC[C@H]3C2)C1 ZINC001208618306 969178828 /nfs/dbraw/zinc/17/88/28/969178828.db2.gz WEYWMQYDBZDZDN-MELADBBJSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncnc2)CCC[C@H]1C[NH3+] ZINC001205992021 969212701 /nfs/dbraw/zinc/21/27/01/969212701.db2.gz CXCUNVWQXSTTRW-AAEUAGOBSA-N 2 1 234.347 1.283 20 0 BDADMP CCCCC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC001253546854 969216385 /nfs/dbraw/zinc/21/63/85/969216385.db2.gz BBXVXNZGSGMHCD-ZDUSSCGKSA-N 2 1 239.363 1.722 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1-n1cc(CC[NH3+])cn1 ZINC001168946001 969286584 /nfs/dbraw/zinc/28/65/84/969286584.db2.gz DTQFKFCVQWEEJR-UHFFFAOYSA-N 2 1 245.330 1.143 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001205996047 969324446 /nfs/dbraw/zinc/32/44/46/969324446.db2.gz UFPDFOBMSQATQY-AAEUAGOBSA-N 2 1 248.374 1.592 20 0 BDADMP Cc1cnc(CC[NH3+])n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169095691 969384671 /nfs/dbraw/zinc/38/46/71/969384671.db2.gz RGAKAZVNNBHJHV-CLLJXQQHSA-N 2 1 248.374 1.490 20 0 BDADMP CN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095722 969387607 /nfs/dbraw/zinc/38/76/07/969387607.db2.gz SBEMULHCOIGAJT-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCC[NH+](C)C1)C2 ZINC001169095722 969387617 /nfs/dbraw/zinc/38/76/17/969387617.db2.gz SBEMULHCOIGAJT-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCC[N@H+](C)C1)C2 ZINC001169095722 969387623 /nfs/dbraw/zinc/38/76/23/969387623.db2.gz SBEMULHCOIGAJT-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001169095722 969387626 /nfs/dbraw/zinc/38/76/26/969387626.db2.gz SBEMULHCOIGAJT-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)C2 ZINC001169098088 969390476 /nfs/dbraw/zinc/39/04/76/969390476.db2.gz FRJNENFZNACVDS-CLLJXQQHSA-N 2 1 247.342 1.502 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1COC1)C2 ZINC001169100332 969391610 /nfs/dbraw/zinc/39/16/10/969391610.db2.gz JGYCYLRLBLXJHX-XYYAHUGASA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]([NH3+])c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169100526 969393351 /nfs/dbraw/zinc/39/33/51/969393351.db2.gz KNUCYECRLRXNEO-WISYIIOYSA-N 2 1 234.347 1.701 20 0 BDADMP CC(C)N(CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096435 969393553 /nfs/dbraw/zinc/39/35/53/969393553.db2.gz WLXFEHIUCRCNHE-WDNDVIMCSA-N 2 1 239.407 1.671 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(C[NH3+])c1)C2 ZINC001169101190 969400600 /nfs/dbraw/zinc/40/06/00/969400600.db2.gz OYRDUYNAKLLUDK-ITGUQSILSA-N 2 1 219.332 1.745 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCn1ccnc1)C2 ZINC001169081350 969401803 /nfs/dbraw/zinc/40/18/03/969401803.db2.gz RUXKPUSWIVDXCE-BTTYYORXSA-N 2 1 248.374 1.488 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001253783054 969404817 /nfs/dbraw/zinc/40/48/17/969404817.db2.gz UQGVZXMFVIYDAB-XJFOESAGSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC1)C2 ZINC001169123718 969417555 /nfs/dbraw/zinc/41/75/55/969417555.db2.gz MPKDTWVBKZRKPV-ZUWCUPBKSA-N 2 1 220.360 2.000 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H]1C1CC1)C2 ZINC001169123715 969418561 /nfs/dbraw/zinc/41/85/61/969418561.db2.gz MPKDTWVBKZRKPV-XVIXHAIJSA-N 2 1 220.360 2.000 20 0 BDADMP CO[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125446 969426243 /nfs/dbraw/zinc/42/62/43/969426243.db2.gz IPKBERFUHPEWEF-DGAVXFQQSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125446 969426246 /nfs/dbraw/zinc/42/62/46/969426246.db2.gz IPKBERFUHPEWEF-DGAVXFQQSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125446 969426250 /nfs/dbraw/zinc/42/62/50/969426250.db2.gz IPKBERFUHPEWEF-DGAVXFQQSA-N 2 1 238.375 1.722 20 0 BDADMP COCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126855 969431808 /nfs/dbraw/zinc/43/18/08/969431808.db2.gz YAAGOCDSPHIPAC-ZSBIGDGJSA-N 2 1 212.337 1.190 20 0 BDADMP COCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126855 969431815 /nfs/dbraw/zinc/43/18/15/969431815.db2.gz YAAGOCDSPHIPAC-ZSBIGDGJSA-N 2 1 212.337 1.190 20 0 BDADMP COCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126855 969431823 /nfs/dbraw/zinc/43/18/23/969431823.db2.gz YAAGOCDSPHIPAC-ZSBIGDGJSA-N 2 1 212.337 1.190 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108172 969446336 /nfs/dbraw/zinc/44/63/36/969446336.db2.gz OZNOFEVCEPWIHF-RKQHYHRCSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(C)(C)C(C)(C)[NH3+])C2 ZINC001169109925 969448290 /nfs/dbraw/zinc/44/82/90/969448290.db2.gz JRYJFATUXQNWDC-ZSBIGDGJSA-N 2 1 239.407 1.717 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccnc(F)c1)C2 ZINC001169108405 969448400 /nfs/dbraw/zinc/44/84/00/969448400.db2.gz SJMFSNVVOYGICP-CLLJXQQHSA-N 2 1 249.333 1.936 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccnc(F)c1)C2 ZINC001169108405 969448405 /nfs/dbraw/zinc/44/84/05/969448405.db2.gz SJMFSNVVOYGICP-CLLJXQQHSA-N 2 1 249.333 1.936 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+]3CCC[C@@H]3C1)C2 ZINC001169139635 969448873 /nfs/dbraw/zinc/44/88/73/969448873.db2.gz CNJIRVOYFBDMIX-BARDWOONSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001169139635 969448879 /nfs/dbraw/zinc/44/88/79/969448879.db2.gz CNJIRVOYFBDMIX-BARDWOONSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001169139635 969448890 /nfs/dbraw/zinc/44/88/90/969448890.db2.gz CNJIRVOYFBDMIX-BARDWOONSA-N 2 1 249.402 1.392 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209411097 969477330 /nfs/dbraw/zinc/47/73/30/969477330.db2.gz BCFFMRLBYSCAIF-NDBYEHHHSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209411097 969477333 /nfs/dbraw/zinc/47/73/33/969477333.db2.gz BCFFMRLBYSCAIF-NDBYEHHHSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[C@H]1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001209411097 969477338 /nfs/dbraw/zinc/47/73/38/969477338.db2.gz BCFFMRLBYSCAIF-NDBYEHHHSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc[nH]c2)CCC[C@H]1C[NH3+] ZINC001206004177 969479407 /nfs/dbraw/zinc/47/94/07/969479407.db2.gz QWXQRZLYTKXSGD-YPMHNXCESA-N 2 1 221.348 1.822 20 0 BDADMP CC[NH+]1CCC([NH2+]CCOc2cccnc2)CC1 ZINC001169230862 969500679 /nfs/dbraw/zinc/50/06/79/969500679.db2.gz NANRBVVLGSOMAI-UHFFFAOYSA-N 2 1 249.358 1.534 20 0 BDADMP CC[NH+]1CCC([NH+]2CC([C@@H](C)OC)C2)CC1 ZINC001169261744 969521231 /nfs/dbraw/zinc/52/12/31/969521231.db2.gz NQCMVPGGDVTWMY-LLVKDONJSA-N 2 1 226.364 1.437 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](C)[C@@H]2CO)CC1 ZINC001169245527 969533210 /nfs/dbraw/zinc/53/32/10/969533210.db2.gz GVQKUCWCVBUHMB-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](C)[C@@H]2CO)CC1 ZINC001169245527 969533221 /nfs/dbraw/zinc/53/32/21/969533221.db2.gz GVQKUCWCVBUHMB-OCCSQVGLSA-N 2 1 240.391 1.564 20 0 BDADMP CCN1CCC([N@H+]2C[C@@H](CO)CC[C@H]2C)CC1 ZINC001169246217 969535071 /nfs/dbraw/zinc/53/50/71/969535071.db2.gz PPANYBMJHWQXPF-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@@H](CO)CC[C@H]2C)CC1 ZINC001169246217 969535077 /nfs/dbraw/zinc/53/50/77/969535077.db2.gz PPANYBMJHWQXPF-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@@H](CO)CC[C@H]2C)CC1 ZINC001169246217 969535078 /nfs/dbraw/zinc/53/50/78/969535078.db2.gz PPANYBMJHWQXPF-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CCN1CCC([N@H+]2CC[C@@H](COC)C2)CC1 ZINC001169246208 969537253 /nfs/dbraw/zinc/53/72/53/969537253.db2.gz PLXPUUMZOANFFX-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](COC)C2)CC1 ZINC001169246208 969537256 /nfs/dbraw/zinc/53/72/56/969537256.db2.gz PLXPUUMZOANFFX-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CCCO[C@@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169258940 969541927 /nfs/dbraw/zinc/54/19/27/969541927.db2.gz VJEDMGCJKHSYSU-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CCCO[C@@H]1CC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169258940 969541934 /nfs/dbraw/zinc/54/19/34/969541934.db2.gz VJEDMGCJKHSYSU-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](OC)C[C@@H]2C)CC1 ZINC001169267904 969554197 /nfs/dbraw/zinc/55/41/97/969554197.db2.gz BTXPAZUEIXUFTI-GXTWGEPZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](OC)C[C@@H]2C)CC1 ZINC001169267904 969554202 /nfs/dbraw/zinc/55/42/02/969554202.db2.gz BTXPAZUEIXUFTI-GXTWGEPZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCCOC1 ZINC001254388611 969581940 /nfs/dbraw/zinc/58/19/40/969581940.db2.gz FXRHTFDIMURXJG-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2c[nH+]ccc2N)C[C@]1(C)O ZINC001209729523 969587998 /nfs/dbraw/zinc/58/79/98/969587998.db2.gz NFAOJWOGMSUBRT-MFKMUULPSA-N 2 1 235.331 1.087 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2c[nH+]ccc2N)C[C@]1(C)O ZINC001209729523 969588001 /nfs/dbraw/zinc/58/80/01/969588001.db2.gz NFAOJWOGMSUBRT-MFKMUULPSA-N 2 1 235.331 1.087 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CC2)CC1 ZINC001209730556 969589197 /nfs/dbraw/zinc/58/91/97/969589197.db2.gz XQEWFYGDIQMWGO-UHFFFAOYSA-N 2 1 217.316 1.870 20 0 BDADMP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cnccc1N ZINC001209736124 969597850 /nfs/dbraw/zinc/59/78/50/969597850.db2.gz DGJUGWOGXKPDLE-LBPRGKRZSA-N 2 1 235.331 1.229 20 0 BDADMP CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209736124 969597856 /nfs/dbraw/zinc/59/78/56/969597856.db2.gz DGJUGWOGXKPDLE-LBPRGKRZSA-N 2 1 235.331 1.229 20 0 BDADMP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209736124 969597862 /nfs/dbraw/zinc/59/78/62/969597862.db2.gz DGJUGWOGXKPDLE-LBPRGKRZSA-N 2 1 235.331 1.229 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001209737799 969598745 /nfs/dbraw/zinc/59/87/45/969598745.db2.gz RFXICPSOPZOYLT-MFKMUULPSA-N 2 1 233.315 1.105 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001209737799 969598751 /nfs/dbraw/zinc/59/87/51/969598751.db2.gz RFXICPSOPZOYLT-MFKMUULPSA-N 2 1 233.315 1.105 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499598 969657805 /nfs/dbraw/zinc/65/78/05/969657805.db2.gz KPLYMHLQZRLPHN-RWMBFGLXSA-N 2 1 225.380 1.330 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499598 969657814 /nfs/dbraw/zinc/65/78/14/969657814.db2.gz KPLYMHLQZRLPHN-RWMBFGLXSA-N 3 1 225.380 1.330 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001254499598 969657825 /nfs/dbraw/zinc/65/78/25/969657825.db2.gz KPLYMHLQZRLPHN-RWMBFGLXSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1cncnc1 ZINC001254502531 969664392 /nfs/dbraw/zinc/66/43/92/969664392.db2.gz FHUBZEGYSCYQTQ-YPMHNXCESA-N 2 1 234.347 1.612 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cncnc1 ZINC001254502531 969664400 /nfs/dbraw/zinc/66/44/00/969664400.db2.gz FHUBZEGYSCYQTQ-YPMHNXCESA-N 2 1 234.347 1.612 20 0 BDADMP C[C@H]([NH3+])c1ccn([C@H]2CCC[N@@H+](C)CC2)n1 ZINC001254506012 969670656 /nfs/dbraw/zinc/67/06/56/969670656.db2.gz NLRCCNDLGTWHEM-QWRGUYRKSA-N 2 1 222.336 1.560 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC001254506246 969674315 /nfs/dbraw/zinc/67/43/15/969674315.db2.gz QAFFWPJFXMPVKV-OCCSQVGLSA-N 2 1 249.358 1.189 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254504070 969674744 /nfs/dbraw/zinc/67/47/44/969674744.db2.gz SFTAFHWASRVAHI-IJLUTSLNSA-N 2 1 240.347 1.012 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccncc2)CC1 ZINC001254509328 969680379 /nfs/dbraw/zinc/68/03/79/969680379.db2.gz YXFGAMDVDCNXOJ-KGLIPLIRSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccncc2)CC1 ZINC001254509328 969680387 /nfs/dbraw/zinc/68/03/87/969680387.db2.gz YXFGAMDVDCNXOJ-KGLIPLIRSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC3)C2)CC1 ZINC001254519681 969701009 /nfs/dbraw/zinc/70/10/09/969701009.db2.gz JUHNYYUQIRXOTN-LBPRGKRZSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC3(CC3)C2)CC1 ZINC001254519681 969701014 /nfs/dbraw/zinc/70/10/14/969701014.db2.gz JUHNYYUQIRXOTN-LBPRGKRZSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC3(CC3)C2)CC1 ZINC001254519681 969701017 /nfs/dbraw/zinc/70/10/17/969701017.db2.gz JUHNYYUQIRXOTN-LBPRGKRZSA-N 2 1 208.349 1.957 20 0 BDADMP CN([C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254522585 969706928 /nfs/dbraw/zinc/70/69/28/969706928.db2.gz HLAMNBCSPUGKEG-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522585 969706931 /nfs/dbraw/zinc/70/69/31/969706931.db2.gz HLAMNBCSPUGKEG-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP CN([C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522585 969706942 /nfs/dbraw/zinc/70/69/42/969706942.db2.gz HLAMNBCSPUGKEG-OLZOCXBDSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC3(C2)CCOCC3)CC1 ZINC001254522556 969709661 /nfs/dbraw/zinc/70/96/61/969709661.db2.gz HBRVGIGBDQBNLQ-CYBMUJFWSA-N 2 1 238.375 1.583 20 0 BDADMP CN1CC[C@H]2C[N@H+]([C@@H]3CCC[NH+](C)CC3)C[C@H]21 ZINC001254525455 969716209 /nfs/dbraw/zinc/71/62/09/969716209.db2.gz JCBBEUIDIFAHQA-BFHYXJOUSA-N 2 1 237.391 1.107 20 0 BDADMP CN1CC[C@H]2C[NH+]([C@@H]3CCC[N@H+](C)CC3)C[C@H]21 ZINC001254525455 969716213 /nfs/dbraw/zinc/71/62/13/969716213.db2.gz JCBBEUIDIFAHQA-BFHYXJOUSA-N 2 1 237.391 1.107 20 0 BDADMP CN1CC[C@H]2C[NH+]([C@@H]3CCC[N@@H+](C)CC3)C[C@H]21 ZINC001254525455 969716217 /nfs/dbraw/zinc/71/62/17/969716217.db2.gz JCBBEUIDIFAHQA-BFHYXJOUSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@]23CCOC3)CC1 ZINC001254529165 969719482 /nfs/dbraw/zinc/71/94/82/969719482.db2.gz KMVFXQGSWIUJQM-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@]23CCOC3)CC1 ZINC001254529165 969719488 /nfs/dbraw/zinc/71/94/88/969719488.db2.gz KMVFXQGSWIUJQM-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@]23CCOC3)CC1 ZINC001254529165 969719494 /nfs/dbraw/zinc/71/94/94/969719494.db2.gz KMVFXQGSWIUJQM-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001254529836 969732849 /nfs/dbraw/zinc/73/28/49/969732849.db2.gz RKWBQGLGVQHSEJ-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001254529836 969732858 /nfs/dbraw/zinc/73/28/58/969732858.db2.gz RKWBQGLGVQHSEJ-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001254529836 969732862 /nfs/dbraw/zinc/73/28/62/969732862.db2.gz RKWBQGLGVQHSEJ-QWHCGFSZSA-N 2 1 240.391 1.706 20 0 BDADMP Cc1cc2c[nH+]c(NCC[C@H]3CCC[NH2+]3)nc2[nH]1 ZINC001169558393 969754477 /nfs/dbraw/zinc/75/44/77/969754477.db2.gz ABAOMBXGBVNCFL-LLVKDONJSA-N 2 1 245.330 1.772 20 0 BDADMP CC(=O)N1CCC[C@H]([N@H+](CCC[NH3+])C(C)C)C1 ZINC001169574299 969772243 /nfs/dbraw/zinc/77/22/43/969772243.db2.gz NKQUJUNOVCRRBA-ZDUSSCGKSA-N 2 1 241.379 1.057 20 0 BDADMP CC(C)[N@H+](CCC[NH3+])[C@H]1CC2CCN(CC2)C1 ZINC001254835611 969798920 /nfs/dbraw/zinc/79/89/20/969798920.db2.gz HHNBSTCVRXTLRI-AWEZNQCLSA-N 2 1 239.407 1.530 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CC2CCN(CC2)C1 ZINC001254835611 969798924 /nfs/dbraw/zinc/79/89/24/969798924.db2.gz HHNBSTCVRXTLRI-AWEZNQCLSA-N 2 1 239.407 1.530 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851980 969806770 /nfs/dbraw/zinc/80/67/70/969806770.db2.gz DUZRWAULZJASAB-ZDUSSCGKSA-N 3 1 248.374 1.431 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C3CCSCC3)C2)C1 ZINC001255094028 969931663 /nfs/dbraw/zinc/93/16/63/969931663.db2.gz KVPYHBWRTOEYCW-ZDUSSCGKSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCSCC3)C2)C1 ZINC001255094028 969931673 /nfs/dbraw/zinc/93/16/73/969931673.db2.gz KVPYHBWRTOEYCW-ZDUSSCGKSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCSCC3)C2)C1 ZINC001255094028 969931678 /nfs/dbraw/zinc/93/16/78/969931678.db2.gz KVPYHBWRTOEYCW-ZDUSSCGKSA-N 2 1 240.416 1.910 20 0 BDADMP CN(c1cccn2c[nH+]cc12)C(C)(C)C[NH3+] ZINC001170059403 970112694 /nfs/dbraw/zinc/11/26/94/970112694.db2.gz JAEQRPYTTAFQQU-UHFFFAOYSA-N 2 1 218.304 1.508 20 0 BDADMP C[N@H+]1CC[C@@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001255413534 970133903 /nfs/dbraw/zinc/13/39/03/970133903.db2.gz XLEYYNOPRZDJRP-CYBMUJFWSA-N 2 1 219.332 1.304 20 0 BDADMP C[N@H+]1CC[C@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001255417304 970139103 /nfs/dbraw/zinc/13/91/03/970139103.db2.gz KCTBGKMRUIEZOZ-WCQYABFASA-N 2 1 231.343 1.601 20 0 BDADMP C[N@H+]1CC[C@@H](N2CC[C@H]([NH3+])c3ccccc32)C1 ZINC001255417305 970140284 /nfs/dbraw/zinc/14/02/84/970140284.db2.gz KCTBGKMRUIEZOZ-YPMHNXCESA-N 2 1 231.343 1.601 20 0 BDADMP C[N@H+]1CC[C@@H](N2CC3(C2)CC[NH+](CC2CC2)C3)C1 ZINC001255433082 970161284 /nfs/dbraw/zinc/16/12/84/970161284.db2.gz VBQMWHVFBVJZJF-CQSZACIVSA-N 2 1 249.402 1.108 20 0 BDADMP C[NH+]1CC[C@@H](N2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001255433082 970161290 /nfs/dbraw/zinc/16/12/90/970161290.db2.gz VBQMWHVFBVJZJF-CQSZACIVSA-N 2 1 249.402 1.108 20 0 BDADMP C[NH+]1CC[C@@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001255433082 970161292 /nfs/dbraw/zinc/16/12/92/970161292.db2.gz VBQMWHVFBVJZJF-CQSZACIVSA-N 2 1 249.402 1.108 20 0 BDADMP CCCC[NH+]1CCN([C@H]2CC[N@@H+](C)C2)CC1 ZINC001255436749 970166421 /nfs/dbraw/zinc/16/64/21/970166421.db2.gz ULXQOCUBDQOYNL-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001255443178 970177331 /nfs/dbraw/zinc/17/73/31/970177331.db2.gz KUCHPBRPRUSQBA-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001255443178 970177336 /nfs/dbraw/zinc/17/73/36/970177336.db2.gz KUCHPBRPRUSQBA-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001255443178 970177345 /nfs/dbraw/zinc/17/73/45/970177345.db2.gz KUCHPBRPRUSQBA-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255469127 970193624 /nfs/dbraw/zinc/19/36/24/970193624.db2.gz BZGZRCMRISNVOT-LBPRGKRZSA-N 2 1 232.331 1.481 20 0 BDADMP C[N@H+]1CCC[C@@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001255473111 970201222 /nfs/dbraw/zinc/20/12/22/970201222.db2.gz OUIWNGCIRYVZLX-CYBMUJFWSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@H](n2cc3ccc(C[NH3+])cc3n2)C1 ZINC001255473112 970205775 /nfs/dbraw/zinc/20/57/75/970205775.db2.gz OUIWNGCIRYVZLX-ZDUSSCGKSA-N 2 1 244.342 1.762 20 0 BDADMP CC[NH+]1CCC(N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001255486670 970231974 /nfs/dbraw/zinc/23/19/74/970231974.db2.gz NKDRZORIDGWVOA-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CCN(CC[NH+](CC)CC)[C@H]1CCC[N@@H+](C)C1 ZINC001255486694 970232054 /nfs/dbraw/zinc/23/20/54/970232054.db2.gz NWXKBEXXSPUSCF-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP Cc1c[nH]c2nc[nH+]c(NC3(C)CC[NH2+]CC3)c12 ZINC001157396646 970246210 /nfs/dbraw/zinc/24/62/10/970246210.db2.gz BYDFRZORMQAVRO-UHFFFAOYSA-N 2 1 245.330 1.820 20 0 BDADMP C[NH2+]CCN([C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC001255494231 970256195 /nfs/dbraw/zinc/25/61/95/970256195.db2.gz FHNPRIMTQGLCDS-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP CC1(C)C[C@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001255535195 970303445 /nfs/dbraw/zinc/30/34/45/970303445.db2.gz MEXVQCQBQVQXKQ-LLVKDONJSA-N 2 1 237.347 1.905 20 0 BDADMP CCc1nc(N2C[C@@H](C[NH3+])CC[C@@H]2C)cc(C)[nH+]1 ZINC000302537366 970444264 /nfs/dbraw/zinc/44/42/64/970444264.db2.gz SLSCWIMSPDBYLY-NWDGAFQWSA-N 2 1 248.374 1.911 20 0 BDADMP CC[NH+](CC)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000179291022 970504243 /nfs/dbraw/zinc/50/42/43/970504243.db2.gz DJYPTTZIGWXJPR-AWEZNQCLSA-N 2 1 241.423 1.602 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]CCC[NH+](C)C ZINC001255939218 970569547 /nfs/dbraw/zinc/56/95/47/970569547.db2.gz CZFCQCJPRUOMLD-ZDUSSCGKSA-N 3 1 229.412 1.648 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400530571 970601678 /nfs/dbraw/zinc/60/16/78/970601678.db2.gz RPHYTTOCQHNENA-GRYCIOLGSA-N 2 1 214.353 1.124 20 0 BDADMP CC[C@H]1C[C@H]([N@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001170235550 970612020 /nfs/dbraw/zinc/61/20/20/970612020.db2.gz NJUTXBISNLIOET-OLZOCXBDSA-N 2 1 249.358 1.699 20 0 BDADMP CC[C@H]1C[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)CCO1 ZINC001170235550 970612029 /nfs/dbraw/zinc/61/20/29/970612029.db2.gz NJUTXBISNLIOET-OLZOCXBDSA-N 2 1 249.358 1.699 20 0 BDADMP CC1([NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC001256066178 970630649 /nfs/dbraw/zinc/63/06/49/970630649.db2.gz YCKWFQWCFNGFKY-UHFFFAOYSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@]1(CO)CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073304 970638819 /nfs/dbraw/zinc/63/88/19/970638819.db2.gz QKSAZNNISZYLJX-CQSZACIVSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@@]1(CO)CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073304 970638829 /nfs/dbraw/zinc/63/88/29/970638829.db2.gz QKSAZNNISZYLJX-CQSZACIVSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256073826 970640459 /nfs/dbraw/zinc/64/04/59/970640459.db2.gz ZYMWMROMWDNTJL-BXUZGUMPSA-N 2 1 238.375 1.316 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256073826 970640468 /nfs/dbraw/zinc/64/04/68/970640468.db2.gz ZYMWMROMWDNTJL-BXUZGUMPSA-N 2 1 238.375 1.316 20 0 BDADMP O[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072707 970642968 /nfs/dbraw/zinc/64/29/68/970642968.db2.gz GKWCADRODTVDDM-AWEZNQCLSA-N 2 1 238.375 1.460 20 0 BDADMP O[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072707 970642978 /nfs/dbraw/zinc/64/29/78/970642978.db2.gz GKWCADRODTVDDM-AWEZNQCLSA-N 2 1 238.375 1.460 20 0 BDADMP OCC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256076162 970646630 /nfs/dbraw/zinc/64/66/30/970646630.db2.gz VRYRTJCZLIRRMP-UHFFFAOYSA-N 2 1 238.375 1.318 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076197 970650239 /nfs/dbraw/zinc/65/02/39/970650239.db2.gz WDPVZMHLTHXBLF-LLVKDONJSA-N 2 1 208.349 1.955 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076197 970650244 /nfs/dbraw/zinc/65/02/44/970650244.db2.gz WDPVZMHLTHXBLF-LLVKDONJSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CC(CNc2nc(NCC3CC3)cc[nH+]2)C1 ZINC001170250177 970655151 /nfs/dbraw/zinc/65/51/51/970655151.db2.gz ZJRVRUBHMMMBIS-UHFFFAOYSA-N 2 1 247.346 1.272 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCC[C@@](C)(CO)CC2)CC1 ZINC001256202677 970706027 /nfs/dbraw/zinc/70/60/27/970706027.db2.gz KOTUWNPNDVEBGU-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC([N@H+]2CCC[C@@](C)(CO)CC2)CC1 ZINC001256202677 970706043 /nfs/dbraw/zinc/70/60/43/970706043.db2.gz KOTUWNPNDVEBGU-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001256207752 970709248 /nfs/dbraw/zinc/70/92/48/970709248.db2.gz SMJDPPIIWJMKIX-LLVKDONJSA-N 2 1 230.302 1.812 20 0 BDADMP C[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001256208256 970709074 /nfs/dbraw/zinc/70/90/74/970709074.db2.gz BESLRKPLQHPJJC-TXEJJXNPSA-N 2 1 208.349 1.668 20 0 BDADMP C[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001256208256 970709085 /nfs/dbraw/zinc/70/90/85/970709085.db2.gz BESLRKPLQHPJJC-TXEJJXNPSA-N 2 1 208.349 1.668 20 0 BDADMP CN1CCC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001256207752 970709233 /nfs/dbraw/zinc/70/92/33/970709233.db2.gz SMJDPPIIWJMKIX-LLVKDONJSA-N 2 1 230.302 1.812 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001256207752 970709242 /nfs/dbraw/zinc/70/92/42/970709242.db2.gz SMJDPPIIWJMKIX-LLVKDONJSA-N 2 1 230.302 1.812 20 0 BDADMP CO[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)CC1 ZINC001256208502 970710605 /nfs/dbraw/zinc/71/06/05/970710605.db2.gz KCWNLGACFXTKKC-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)CC1 ZINC001256208502 970710610 /nfs/dbraw/zinc/71/06/10/970710610.db2.gz KCWNLGACFXTKKC-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC3CCC2CC3)CC1 ZINC001256208350 970711854 /nfs/dbraw/zinc/71/18/54/970711854.db2.gz GRWBWXPGJJVSNY-UHFFFAOYSA-N 2 1 208.349 1.955 20 0 BDADMP C[NH+]1CCC([N@H+]2CC3CCC2CC3)CC1 ZINC001256208350 970711866 /nfs/dbraw/zinc/71/18/66/970711866.db2.gz GRWBWXPGJJVSNY-UHFFFAOYSA-N 2 1 208.349 1.955 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[NH+](C)C ZINC000401836103 970740243 /nfs/dbraw/zinc/74/02/43/970740243.db2.gz DZVYPPUPGUJOAM-PWSUYJOCSA-N 2 1 236.363 1.574 20 0 BDADMP CO[C@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000401838312 970740640 /nfs/dbraw/zinc/74/06/40/970740640.db2.gz MKBXWCKNIQRAST-NEPJUHHUSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545285 972628678 /nfs/dbraw/zinc/62/86/78/972628678.db2.gz ASNPHBOTKZCUNO-AVGNSLFASA-N 3 1 243.370 1.280 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CCO1 ZINC001246545316 972629542 /nfs/dbraw/zinc/62/95/42/972629542.db2.gz BFXKEIXTBAJZEP-AGIUHOORSA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246546718 972650112 /nfs/dbraw/zinc/65/01/12/972650112.db2.gz NKGJSTIHSGRWQH-GXTWGEPZSA-N 2 1 233.359 1.826 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548074 972677633 /nfs/dbraw/zinc/67/76/33/972677633.db2.gz QOTPZVITMYTQLG-XQQFMLRXSA-N 3 1 225.380 1.330 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246548074 972677638 /nfs/dbraw/zinc/67/76/38/972677638.db2.gz QOTPZVITMYTQLG-XQQFMLRXSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556112 972758737 /nfs/dbraw/zinc/75/87/37/972758737.db2.gz YKIHAHFHOBAKJM-RWMBFGLXSA-N 3 1 225.380 1.330 20 0 BDADMP CSCC[C@@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557316 972770658 /nfs/dbraw/zinc/77/06/58/972770658.db2.gz HUJBSYODJNUIBK-VXGBXAGGSA-N 2 1 246.420 1.304 20 0 BDADMP CC(C)([NH3+])CNc1cccn2cc[nH+]c12 ZINC001171195522 972850136 /nfs/dbraw/zinc/85/01/36/972850136.db2.gz KLRIJVNFNQUKLO-UHFFFAOYSA-N 2 1 204.277 1.484 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1F ZINC001246571827 972856933 /nfs/dbraw/zinc/85/69/33/972856933.db2.gz NHYSDQOENQLTNN-WRWGMCAJSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1F ZINC001246571827 972856936 /nfs/dbraw/zinc/85/69/36/972856936.db2.gz NHYSDQOENQLTNN-WRWGMCAJSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)CCN1 ZINC001246577901 972893927 /nfs/dbraw/zinc/89/39/27/972893927.db2.gz UMPXIAQDZSFRSS-IYXRBSQSSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@@H]1CN(C2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246577901 972893932 /nfs/dbraw/zinc/89/39/32/972893932.db2.gz UMPXIAQDZSFRSS-IYXRBSQSSA-N 2 1 237.391 1.202 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581951 972945997 /nfs/dbraw/zinc/94/59/97/972945997.db2.gz LRZIFFKFDJWGQI-CHWSQXEVSA-N 3 1 239.407 1.578 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581951 972946009 /nfs/dbraw/zinc/94/60/09/972946009.db2.gz LRZIFFKFDJWGQI-CHWSQXEVSA-N 3 1 239.407 1.578 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581956 972946124 /nfs/dbraw/zinc/94/61/24/972946124.db2.gz LRZIFFKFDJWGQI-QWHCGFSZSA-N 3 1 239.407 1.578 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581956 972946133 /nfs/dbraw/zinc/94/61/33/972946133.db2.gz LRZIFFKFDJWGQI-QWHCGFSZSA-N 3 1 239.407 1.578 20 0 BDADMP CC(C)=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246587556 972986050 /nfs/dbraw/zinc/98/60/50/972986050.db2.gz UUGQLNHHLVIMFV-FRRDWIJNSA-N 2 1 226.364 1.373 20 0 BDADMP CSCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246587528 972988180 /nfs/dbraw/zinc/98/81/80/972988180.db2.gz OSSYFWLFMXIZNA-DCAQKATOSA-N 2 1 234.384 1.889 20 0 BDADMP CSCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246587528 972988191 /nfs/dbraw/zinc/98/81/91/972988191.db2.gz OSSYFWLFMXIZNA-DCAQKATOSA-N 2 1 234.384 1.889 20 0 BDADMP CC1(C)CCC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246587576 972991132 /nfs/dbraw/zinc/99/11/32/972991132.db2.gz UWFWWDCRMNCIBR-QJPTWQEYSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589916 972992263 /nfs/dbraw/zinc/99/22/63/972992263.db2.gz GNZKRAHJJXCWBR-RWMBFGLXSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246589916 972992273 /nfs/dbraw/zinc/99/22/73/972992273.db2.gz GNZKRAHJJXCWBR-RWMBFGLXSA-N 3 1 225.380 1.188 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246587582 972992543 /nfs/dbraw/zinc/99/25/43/972992543.db2.gz UWFWWDCRMNCIBR-SDDRHHMPSA-N 2 1 226.364 1.207 20 0 BDADMP FCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328493459 973100815 /nfs/dbraw/zinc/10/08/15/973100815.db2.gz VFHXNYFJQMNXLV-UHFFFAOYSA-N 2 1 214.328 1.812 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCO3)C2)CC[NH2+]1 ZINC001246828666 973119511 /nfs/dbraw/zinc/11/95/11/973119511.db2.gz FMZWIVPRJVBWCH-JHJVBQTASA-N 2 1 224.348 1.382 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1C[C@@H]3CC(=O)C[C@@H]3C1)C2 ZINC001246864932 973207055 /nfs/dbraw/zinc/20/70/55/973207055.db2.gz WVWWNKDGXQJQJU-MOWSAHLDSA-N 2 1 234.343 1.167 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1C[C@@H]3CC(=O)C[C@@H]3C1)C2 ZINC001246864932 973207065 /nfs/dbraw/zinc/20/70/65/973207065.db2.gz WVWWNKDGXQJQJU-MOWSAHLDSA-N 2 1 234.343 1.167 20 0 BDADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCC(C)C ZINC001146712029 973226056 /nfs/dbraw/zinc/22/60/56/973226056.db2.gz ZRRXJQOYKSKPQT-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP CCOc1ccc2c(c1)C[N@@H+](CCC[NH3+])CC2 ZINC001328732785 973319500 /nfs/dbraw/zinc/31/95/00/973319500.db2.gz NLZHBBKHCXWAGG-UHFFFAOYSA-N 2 1 234.343 1.792 20 0 BDADMP CCOc1ccc2c(c1)C[N@H+](CCC[NH3+])CC2 ZINC001328732785 973319515 /nfs/dbraw/zinc/31/95/15/973319515.db2.gz NLZHBBKHCXWAGG-UHFFFAOYSA-N 2 1 234.343 1.792 20 0 BDADMP NCC[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224120006 973457181 /nfs/dbraw/zinc/45/71/81/973457181.db2.gz WSFIANORDGONPU-JQWIXIFHSA-N 2 1 217.316 1.086 20 0 BDADMP CC[NH+](CC)C1CCC([N@@H+](C)CCO)CC1 ZINC001246915807 973464294 /nfs/dbraw/zinc/46/42/94/973464294.db2.gz YXSXFVZQFSZCPA-UHFFFAOYSA-N 2 1 228.380 1.564 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CO1 ZINC001246940671 973647023 /nfs/dbraw/zinc/64/70/23/973647023.db2.gz JPYUUBHEONDCLB-XQQFMLRXSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H](N)C[N@@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246979907 973742153 /nfs/dbraw/zinc/74/21/53/973742153.db2.gz GDAXNZFCXLLVHA-LBPRGKRZSA-N 2 1 239.407 1.578 20 0 BDADMP COC[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000234787209 973757530 /nfs/dbraw/zinc/75/75/30/973757530.db2.gz YOOAFENGWDBCRT-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H](C[NH+](C)C)OC[C@@H]1CCCC[N@H+]1C ZINC001224701499 973865837 /nfs/dbraw/zinc/86/58/37/973865837.db2.gz GTLCFJMCRWBTCO-NEPJUHHUSA-N 2 1 214.353 1.437 20 0 BDADMP C[NH+]1CCC(OC[C@H]2CCCC[N@H+]2C)CC1 ZINC001224701044 973866564 /nfs/dbraw/zinc/86/65/64/973866564.db2.gz CGGOWKVAMITLOQ-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CCOC(=[NH2+])CCCCO[C@H]1CC[N@H+](C)C1 ZINC001224964335 974108066 /nfs/dbraw/zinc/10/80/66/974108066.db2.gz XJAKEFPVCZFZIX-NSHDSACASA-N 2 1 228.336 1.891 20 0 BDADMP CCOC(=[NH2+])CCCCO[C@H]1CC[N@@H+](C)C1 ZINC001224964335 974108070 /nfs/dbraw/zinc/10/80/70/974108070.db2.gz XJAKEFPVCZFZIX-NSHDSACASA-N 2 1 228.336 1.891 20 0 BDADMP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(N)=O ZINC001171613149 974116191 /nfs/dbraw/zinc/11/61/91/974116191.db2.gz GJNQOVGREWQSNN-VIFPVBQESA-N 2 1 241.379 1.101 20 0 BDADMP C[NH+](C)CCCCO[C@@H]1CC[N@@H+](C)C1 ZINC001224991981 974122627 /nfs/dbraw/zinc/12/26/27/974122627.db2.gz GVAZBJTZXALGDQ-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP C[C@@H]1C[C@@H](NC=[NH2+])C[N@H+]1Cc1ccccc1 ZINC001171726000 974143676 /nfs/dbraw/zinc/14/36/76/974143676.db2.gz REHHBMWYLDEBIP-DGCLKSJQSA-N 2 1 217.316 1.846 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171767927 974149007 /nfs/dbraw/zinc/14/90/07/974149007.db2.gz DCCRZLMUXZSIAS-ZDUSSCGKSA-N 2 1 248.345 1.977 20 0 BDADMP CCN1CC[C@H]([N@@H+](CCC[NH3+])C(C)C)CC1=O ZINC001172024117 974283270 /nfs/dbraw/zinc/28/32/70/974283270.db2.gz VEGWLCORNBXHOW-LBPRGKRZSA-N 2 1 241.379 1.057 20 0 BDADMP CC(C)(C)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154173 974319767 /nfs/dbraw/zinc/31/97/67/974319767.db2.gz HFAVTPWXGIDZIS-ZJUUUORDSA-N 2 1 202.317 1.794 20 0 BDADMP CC(C)(C)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154173 974319778 /nfs/dbraw/zinc/31/97/78/974319778.db2.gz HFAVTPWXGIDZIS-ZJUUUORDSA-N 2 1 202.317 1.794 20 0 BDADMP C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001330579042 974334396 /nfs/dbraw/zinc/33/43/96/974334396.db2.gz VTGMIBZGJWQUQJ-LLVKDONJSA-N 2 1 243.395 1.079 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCO1)C2 ZINC001172098917 974336463 /nfs/dbraw/zinc/33/64/63/974336463.db2.gz DMEVEQNBQARPAG-CRWXNKLISA-N 2 1 238.375 1.770 20 0 BDADMP C[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172098340 974340418 /nfs/dbraw/zinc/34/04/18/974340418.db2.gz CBNXOANEULJXOW-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172098340 974340419 /nfs/dbraw/zinc/34/04/19/974340419.db2.gz CBNXOANEULJXOW-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172098340 974340424 /nfs/dbraw/zinc/34/04/24/974340424.db2.gz CBNXOANEULJXOW-SYQHCUMBSA-N 2 1 237.391 1.295 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099106 974340867 /nfs/dbraw/zinc/34/08/67/974340867.db2.gz FHRCOVYSEWPSMJ-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H](C[NH+](C)C)Oc1cccnc1C[NH+](C)C ZINC001225279442 974344612 /nfs/dbraw/zinc/34/46/12/974344612.db2.gz YATXXGJTGKJVRD-LLVKDONJSA-N 2 1 237.347 1.472 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(O)CC1)C2 ZINC001172100140 974345032 /nfs/dbraw/zinc/34/50/32/974345032.db2.gz PKPIRORGHHLUEI-CNDDSTCGSA-N 2 1 224.348 1.116 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172100412 974348067 /nfs/dbraw/zinc/34/80/67/974348067.db2.gz PYYZOARNXOSKCE-UBSAEIQESA-N 2 1 248.374 1.525 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172100412 974348079 /nfs/dbraw/zinc/34/80/79/974348079.db2.gz PYYZOARNXOSKCE-UBSAEIQESA-N 2 1 248.374 1.525 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnccn1)C2 ZINC001172102810 974361436 /nfs/dbraw/zinc/36/14/36/974361436.db2.gz PBXKRUGPPMEAAH-DEZZGGKRSA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnccn1)C2 ZINC001172102810 974361442 /nfs/dbraw/zinc/36/14/42/974361442.db2.gz PBXKRUGPPMEAAH-DEZZGGKRSA-N 2 1 246.358 1.582 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)C2 ZINC001172108052 974364472 /nfs/dbraw/zinc/36/44/72/974364472.db2.gz OLXUUFVPSQGEGD-ZAEXQNMVSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)C2 ZINC001172108052 974364481 /nfs/dbraw/zinc/36/44/81/974364481.db2.gz OLXUUFVPSQGEGD-ZAEXQNMVSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001172108183 974364789 /nfs/dbraw/zinc/36/47/89/974364789.db2.gz RILOGWYMCLWQBF-ITGHMWBKSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]1O)C2 ZINC001172108183 974364796 /nfs/dbraw/zinc/36/47/96/974364796.db2.gz RILOGWYMCLWQBF-ITGHMWBKSA-N 2 1 238.375 1.505 20 0 BDADMP C[C@@H](CO)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104945 974367209 /nfs/dbraw/zinc/36/72/09/974367209.db2.gz GUXOYGLZGFKDEU-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnoc1)C2 ZINC001172108231 974375131 /nfs/dbraw/zinc/37/51/31/974375131.db2.gz SPGPDHNVSRAMFZ-CLLJXQQHSA-N 2 1 235.331 1.780 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnoc1)C2 ZINC001172108231 974375144 /nfs/dbraw/zinc/37/51/44/974375144.db2.gz SPGPDHNVSRAMFZ-CLLJXQQHSA-N 2 1 235.331 1.780 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116872 974385533 /nfs/dbraw/zinc/38/55/33/974385533.db2.gz DMSXHZHQTIHLJY-FPYNETTCSA-N 2 1 242.338 1.016 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116872 974385549 /nfs/dbraw/zinc/38/55/49/974385549.db2.gz DMSXHZHQTIHLJY-FPYNETTCSA-N 2 1 242.338 1.016 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116872 974385556 /nfs/dbraw/zinc/38/55/56/974385556.db2.gz DMSXHZHQTIHLJY-FPYNETTCSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116872 974385567 /nfs/dbraw/zinc/38/55/67/974385567.db2.gz DMSXHZHQTIHLJY-FPYNETTCSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116872 974385572 /nfs/dbraw/zinc/38/55/72/974385572.db2.gz DMSXHZHQTIHLJY-FPYNETTCSA-N 2 1 242.338 1.016 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(COC3)C1)C2 ZINC001172113218 974385673 /nfs/dbraw/zinc/38/56/73/974385673.db2.gz HPUKOIMPIXAPLD-CLLJXQQHSA-N 2 1 236.359 1.334 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001172121122 974388499 /nfs/dbraw/zinc/38/84/99/974388499.db2.gz PEFDWIARBNEUKG-KCLGILNXSA-N 2 1 220.360 1.953 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001172121122 974388507 /nfs/dbraw/zinc/38/85/07/974388507.db2.gz PEFDWIARBNEUKG-KCLGILNXSA-N 2 1 220.360 1.953 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@@H]3C1)C2 ZINC001172121122 974388513 /nfs/dbraw/zinc/38/85/13/974388513.db2.gz PEFDWIARBNEUKG-KCLGILNXSA-N 2 1 220.360 1.953 20 0 BDADMP CO[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121415 974388572 /nfs/dbraw/zinc/38/85/72/974388572.db2.gz QBYHINBYAJUVRK-DGAVXFQQSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121415 974388580 /nfs/dbraw/zinc/38/85/80/974388580.db2.gz QBYHINBYAJUVRK-DGAVXFQQSA-N 2 1 238.375 1.722 20 0 BDADMP CO[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121415 974388589 /nfs/dbraw/zinc/38/85/89/974388589.db2.gz QBYHINBYAJUVRK-DGAVXFQQSA-N 2 1 238.375 1.722 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](CO)C1)C2 ZINC001172120931 974389311 /nfs/dbraw/zinc/38/93/11/974389311.db2.gz HVWTWGGJDWBKEO-MQYQWHSLSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](CO)C1)C2 ZINC001172120931 974389290 /nfs/dbraw/zinc/38/92/90/974389290.db2.gz HVWTWGGJDWBKEO-MQYQWHSLSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](CO)C1)C2 ZINC001172120931 974389298 /nfs/dbraw/zinc/38/92/98/974389298.db2.gz HVWTWGGJDWBKEO-MQYQWHSLSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](CO)C1)C2 ZINC001172120931 974389318 /nfs/dbraw/zinc/38/93/18/974389318.db2.gz HVWTWGGJDWBKEO-MQYQWHSLSA-N 2 1 238.375 1.316 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218384 974443981 /nfs/dbraw/zinc/44/39/81/974443981.db2.gz SPSLFQJGBWGZPM-YOGCLGLASA-N 2 1 235.331 1.575 20 0 BDADMP [NH3+]CCc1c[nH+]cn1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172228950 974467624 /nfs/dbraw/zinc/46/76/24/974467624.db2.gz QKTWISHZOFTXBC-YOGCLGLASA-N 2 1 219.288 1.043 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172229223 974468452 /nfs/dbraw/zinc/46/84/52/974468452.db2.gz SFEWWEMJJMXRAN-WODVXLOZSA-N 2 1 222.332 1.014 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231799 974473221 /nfs/dbraw/zinc/47/32/21/974473221.db2.gz ZBRVGMOZOBOTPV-CPIKKWJDSA-N 2 1 236.359 1.546 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163478 974489628 /nfs/dbraw/zinc/48/96/28/974489628.db2.gz CKOFOJUJEYXHPT-RYUDHWBXSA-N 2 1 241.310 1.553 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163478 974489632 /nfs/dbraw/zinc/48/96/32/974489632.db2.gz CKOFOJUJEYXHPT-RYUDHWBXSA-N 2 1 241.310 1.553 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C3C[C@@H]4C=C[C@H](C3)O4)C2)C1 ZINC001172244506 974511331 /nfs/dbraw/zinc/51/13/31/974511331.db2.gz OJZPQQXABZHLQM-DKUMPPAJSA-N 2 1 248.370 1.500 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C3C[C@@H]4C=C[C@H](C3)O4)C2)C1 ZINC001172244506 974511334 /nfs/dbraw/zinc/51/13/34/974511334.db2.gz OJZPQQXABZHLQM-DKUMPPAJSA-N 2 1 248.370 1.500 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C3C[C@@H]4C=C[C@H](C3)O4)C2)C1 ZINC001172244506 974511339 /nfs/dbraw/zinc/51/13/39/974511339.db2.gz OJZPQQXABZHLQM-DKUMPPAJSA-N 2 1 248.370 1.500 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284181 974546153 /nfs/dbraw/zinc/54/61/53/974546153.db2.gz PNSUXFSKWJGEJU-AGIUHOORSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284181 974546148 /nfs/dbraw/zinc/54/61/48/974546148.db2.gz PNSUXFSKWJGEJU-AGIUHOORSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284181 974546151 /nfs/dbraw/zinc/54/61/51/974546151.db2.gz PNSUXFSKWJGEJU-AGIUHOORSA-N 2 1 238.375 1.437 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172294564 974565259 /nfs/dbraw/zinc/56/52/59/974565259.db2.gz MXQQOZUIEVDWNN-XQQFMLRXSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172294564 974565267 /nfs/dbraw/zinc/56/52/67/974565267.db2.gz MXQQOZUIEVDWNN-XQQFMLRXSA-N 2 1 238.375 1.437 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172294564 974565277 /nfs/dbraw/zinc/56/52/77/974565277.db2.gz MXQQOZUIEVDWNN-XQQFMLRXSA-N 2 1 238.375 1.437 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1sc(C)nc1C ZINC001331419797 974713632 /nfs/dbraw/zinc/71/36/32/974713632.db2.gz RJEFLVXVKZLDSY-MRVPVSSYSA-N 2 1 227.377 1.848 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1C2CCC1(CO)CC2 ZINC001331966453 974895716 /nfs/dbraw/zinc/89/57/16/974895716.db2.gz SREBTEHIVAHRIO-UHFFFAOYSA-N 2 1 240.391 1.885 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206174574 974925166 /nfs/dbraw/zinc/92/51/66/974925166.db2.gz OGPQXZZCJPVBIZ-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206174574 974925170 /nfs/dbraw/zinc/92/51/70/974925170.db2.gz OGPQXZZCJPVBIZ-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC001172929562 974980438 /nfs/dbraw/zinc/98/04/38/974980438.db2.gz FYCBPKSZHFBJAL-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001172941249 974999007 /nfs/dbraw/zinc/99/90/07/974999007.db2.gz DVPKXCJNPYXGKG-CHWSQXEVSA-N 2 1 249.358 1.699 20 0 BDADMP CO[C@@H]1CCC[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001172941249 974999014 /nfs/dbraw/zinc/99/90/14/974999014.db2.gz DVPKXCJNPYXGKG-CHWSQXEVSA-N 2 1 249.358 1.699 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226654000 974999732 /nfs/dbraw/zinc/99/97/32/974999732.db2.gz VXYFLZGQFHWKPP-LBPRGKRZSA-N 2 1 235.331 1.915 20 0 BDADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001173108830 975026397 /nfs/dbraw/zinc/02/63/97/975026397.db2.gz RNRUMPWCWCFSEQ-JXQTWKCFSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2ncsc2C1 ZINC001173131947 975040713 /nfs/dbraw/zinc/04/07/13/975040713.db2.gz NRUATEIRGRDQBF-ZJUUUORDSA-N 2 1 239.388 1.527 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC001332456822 975139196 /nfs/dbraw/zinc/13/91/96/975139196.db2.gz SUWXATIFLWEZNG-CFVMTHIKSA-N 2 1 246.354 1.234 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC001332456822 975139200 /nfs/dbraw/zinc/13/92/00/975139200.db2.gz SUWXATIFLWEZNG-CFVMTHIKSA-N 2 1 246.354 1.234 20 0 BDADMP CC[N@H+]1CC[C@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001173352497 975299286 /nfs/dbraw/zinc/29/92/86/975299286.db2.gz NSIAXSUJFABWQZ-ZDUSSCGKSA-N 2 1 244.342 1.762 20 0 BDADMP CCCc1cc(C[NH3+])nn1[C@@H]1CC[N@@H+](CC)C1 ZINC001173361693 975334101 /nfs/dbraw/zinc/33/41/01/975334101.db2.gz VQWBYDZVSQYJFB-CYBMUJFWSA-N 2 1 236.363 1.561 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001173362968 975339466 /nfs/dbraw/zinc/33/94/66/975339466.db2.gz KLSBEZLUVPXINK-CHWSQXEVSA-N 2 1 225.380 1.107 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC001173366101 975344105 /nfs/dbraw/zinc/34/41/05/975344105.db2.gz WKHNJRAMNNHFQD-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001173366101 975344112 /nfs/dbraw/zinc/34/41/12/975344112.db2.gz WKHNJRAMNNHFQD-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001173366101 975344123 /nfs/dbraw/zinc/34/41/23/975344123.db2.gz WKHNJRAMNNHFQD-RDBSUJKOSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC001206205448 975425245 /nfs/dbraw/zinc/42/52/45/975425245.db2.gz QBUWDVSMFSGZBM-NWDGAFQWSA-N 2 1 244.329 1.915 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@@H]1CCOC1 ZINC001333487481 975810874 /nfs/dbraw/zinc/81/08/74/975810874.db2.gz HZQHGFXPQLZLHZ-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+](C)Cc1ccccc1Nc1c[nH+]ncc1N ZINC001173930532 976035645 /nfs/dbraw/zinc/03/56/45/976035645.db2.gz VFAIDHHNHNTGRB-UHFFFAOYSA-N 2 1 243.314 1.864 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](CF)C2)CC1 ZINC001333855753 976121467 /nfs/dbraw/zinc/12/14/67/976121467.db2.gz YAHXBTZRGAMPLM-LBPRGKRZSA-N 2 1 214.328 1.620 20 0 BDADMP CCc1onc(C)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001335507545 977106374 /nfs/dbraw/zinc/10/63/74/977106374.db2.gz WLWRZMVKJYBJLH-TXEJJXNPSA-N 2 1 249.358 1.539 20 0 BDADMP C[N@H+]1CC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508480 977225486 /nfs/dbraw/zinc/22/54/86/977225486.db2.gz WKYRUMKEDKOKRF-SECBINFHSA-N 2 1 232.287 1.228 20 0 BDADMP C[N@@H+]1CC[C@@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230508480 977225493 /nfs/dbraw/zinc/22/54/93/977225493.db2.gz WKYRUMKEDKOKRF-SECBINFHSA-N 2 1 232.287 1.228 20 0 BDADMP C[N@H+]1CC[C@@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230508480 977225504 /nfs/dbraw/zinc/22/55/04/977225504.db2.gz WKYRUMKEDKOKRF-SECBINFHSA-N 2 1 232.287 1.228 20 0 BDADMP C[N@H+]1CC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508481 977228973 /nfs/dbraw/zinc/22/89/73/977228973.db2.gz WKYRUMKEDKOKRF-VIFPVBQESA-N 2 1 232.287 1.228 20 0 BDADMP C[N@@H+]1CC[C@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230508481 977228983 /nfs/dbraw/zinc/22/89/83/977228983.db2.gz WKYRUMKEDKOKRF-VIFPVBQESA-N 2 1 232.287 1.228 20 0 BDADMP C[N@H+]1CC[C@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230508481 977228992 /nfs/dbraw/zinc/22/89/92/977228992.db2.gz WKYRUMKEDKOKRF-VIFPVBQESA-N 2 1 232.287 1.228 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H](O)C1CC1 ZINC001335930575 977371167 /nfs/dbraw/zinc/37/11/67/977371167.db2.gz VEDGFGRYZUBFKH-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@@H+]1CCC[C@H](CNc2cc(N)[nH+]cn2)C1 ZINC001336488648 977716376 /nfs/dbraw/zinc/71/63/76/977716376.db2.gz CUUBLKJDXCCXCG-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP CC[N@H+]1CCC[C@H](CNc2cc(N)[nH+]cn2)C1 ZINC001336488648 977716394 /nfs/dbraw/zinc/71/63/94/977716394.db2.gz CUUBLKJDXCCXCG-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP OC[C@@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011495 977839154 /nfs/dbraw/zinc/83/91/54/977839154.db2.gz DNVOJJSFYSMRFB-LBPRGKRZSA-N 2 1 231.299 1.520 20 0 BDADMP CC(=O)[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015137 977843165 /nfs/dbraw/zinc/84/31/65/977843165.db2.gz BKURNAODVHYAOP-LLVKDONJSA-N 2 1 243.310 1.974 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cncc(O)c3)C2)CC1 ZINC001232046501 977873241 /nfs/dbraw/zinc/87/32/41/977873241.db2.gz LNRCZMAVJFANTP-UHFFFAOYSA-N 2 1 247.342 1.315 20 0 BDADMP C[C@@H](Nc1cc[nH+]cc1)[C@H](C)[NH+]1CCOCC1 ZINC001336908747 978049402 /nfs/dbraw/zinc/04/94/02/978049402.db2.gz HWYPCBBHURAQNM-NEPJUHHUSA-N 2 1 235.331 1.025 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001206292431 978282210 /nfs/dbraw/zinc/28/22/10/978282210.db2.gz ALULPKQHVUDIQN-OLZOCXBDSA-N 2 1 226.364 1.474 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)[nH]n1 ZINC001206292448 978282480 /nfs/dbraw/zinc/28/24/80/978282480.db2.gz AXKZNCGRFYNHFI-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)n[nH]1 ZINC001206292448 978282498 /nfs/dbraw/zinc/28/24/98/978282498.db2.gz AXKZNCGRFYNHFI-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n[nH]1 ZINC001206292448 978282517 /nfs/dbraw/zinc/28/25/17/978282517.db2.gz AXKZNCGRFYNHFI-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001206292430 978283669 /nfs/dbraw/zinc/28/36/69/978283669.db2.gz ALULPKQHVUDIQN-CHWSQXEVSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc[nH]n2)CC1 ZINC001206292844 978289001 /nfs/dbraw/zinc/28/90/01/978289001.db2.gz DRSQNZXNHHGXKF-GFCCVEGCSA-N 2 1 222.336 1.361 20 0 BDADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292613 978290029 /nfs/dbraw/zinc/29/00/29/978290029.db2.gz CXBYQTQTKJOCRW-YPMHNXCESA-N 2 1 242.363 1.246 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc[nH]2)CC1 ZINC001206295852 978298220 /nfs/dbraw/zinc/29/82/20/978298220.db2.gz ODEUUJZNWMNENA-ZDUSSCGKSA-N 2 1 221.348 1.966 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](OCC[NH+]2CCCC2)C1 ZINC001206308659 978411635 /nfs/dbraw/zinc/41/16/35/978411635.db2.gz FWSSOSBKDXGXEN-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP O=C(C[NH+]1CCCC1)Nc1ccc2c[nH+]cn2c1 ZINC001179309572 978691034 /nfs/dbraw/zinc/69/10/34/978691034.db2.gz GPNXOMKKFHNTPO-UHFFFAOYSA-N 2 1 244.298 1.369 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001338491143 978694671 /nfs/dbraw/zinc/69/46/71/978694671.db2.gz FHTXRBVIIAXTDS-YPMHNXCESA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC001338488707 978695968 /nfs/dbraw/zinc/69/59/68/978695968.db2.gz OEFXLRWHOBNWLT-AWEZNQCLSA-N 2 1 240.391 1.635 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)n1C ZINC001179816446 978758633 /nfs/dbraw/zinc/75/86/33/978758633.db2.gz LTWYPCOMOXXREF-FPMFFAJLSA-N 2 1 248.374 1.158 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1C ZINC001179816446 978758639 /nfs/dbraw/zinc/75/86/39/978758639.db2.gz LTWYPCOMOXXREF-FPMFFAJLSA-N 2 1 248.374 1.158 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000069863045 978765760 /nfs/dbraw/zinc/76/57/60/978765760.db2.gz FTXWAEUYJYVBPD-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1[nH]c(CN2CC(C)([NH+](C)C)C2)c(C)[nH+]1 ZINC001234636326 978880622 /nfs/dbraw/zinc/88/06/22/978880622.db2.gz WZAAASYUXVXRBZ-UHFFFAOYSA-N 2 1 222.336 1.162 20 0 BDADMP Cc1[nH]c(CN2CCC([NH+]3CCC3)CC2)c(C)[nH+]1 ZINC001234663134 978894685 /nfs/dbraw/zinc/89/46/85/978894685.db2.gz WKZICLDACHTXBE-UHFFFAOYSA-N 2 1 248.374 1.697 20 0 BDADMP C(CN1CC[NH2+]C[C@]12CC[NH2+]C2)C1CCCC1 ZINC001234982002 978943030 /nfs/dbraw/zinc/94/30/30/978943030.db2.gz QIBJZCBOEDKIKW-CQSZACIVSA-N 2 1 237.391 1.204 20 0 BDADMP C(C1CCCCC1)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234982446 978943715 /nfs/dbraw/zinc/94/37/15/978943715.db2.gz STNYYCRCNTXGMF-AWEZNQCLSA-N 2 1 237.391 1.204 20 0 BDADMP [NH3+][C@H]1C[C@H](F)CN(Cc2[nH+]cn3ccccc23)C1 ZINC001206434286 978952373 /nfs/dbraw/zinc/95/23/73/978952373.db2.gz HWNREPKEMPHWNS-QWRGUYRKSA-N 2 1 248.305 1.205 20 0 BDADMP C(C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC001235052501 978963962 /nfs/dbraw/zinc/96/39/62/978963962.db2.gz GLKAOAWGPMZCDR-CQSZACIVSA-N 2 1 237.391 1.204 20 0 BDADMP CC1(C)C[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001235079383 978971844 /nfs/dbraw/zinc/97/18/44/978971844.db2.gz WUSXPEKTEROZFN-YNEHKIRRSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)C[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001235079383 978971847 /nfs/dbraw/zinc/97/18/47/978971847.db2.gz WUSXPEKTEROZFN-YNEHKIRRSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]C12CC(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)(C1)C2 ZINC001235122733 978979620 /nfs/dbraw/zinc/97/96/20/978979620.db2.gz ILAWJVOAXXIASP-RUXDESIVSA-N 3 1 235.375 1.086 20 0 BDADMP [NH3+]C12CC(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)(C1)C2 ZINC001235122733 978979623 /nfs/dbraw/zinc/97/96/23/978979623.db2.gz ILAWJVOAXXIASP-RUXDESIVSA-N 3 1 235.375 1.086 20 0 BDADMP C[C@@H](N)C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151321 978982531 /nfs/dbraw/zinc/98/25/31/978982531.db2.gz GEIBBWIYYJAJNH-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH3+])CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151321 978982533 /nfs/dbraw/zinc/98/25/33/978982533.db2.gz GEIBBWIYYJAJNH-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC2(CC(F)C2)CC1 ZINC001235135869 978982803 /nfs/dbraw/zinc/98/28/03/978982803.db2.gz QWDBFQHTFSQAII-SECBINFHSA-N 2 1 200.301 1.548 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001235187028 978992301 /nfs/dbraw/zinc/99/23/01/978992301.db2.gz QTIHBMLFCXLJKS-GFCCVEGCSA-N 2 1 212.337 1.228 20 0 BDADMP C(C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001235209205 978996251 /nfs/dbraw/zinc/99/62/51/978996251.db2.gz JEMSROVXDSJPIQ-MCIONIFRSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001235209205 978996257 /nfs/dbraw/zinc/99/62/57/978996257.db2.gz JEMSROVXDSJPIQ-MCIONIFRSA-N 3 1 237.391 1.060 20 0 BDADMP CC[NH2+]CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429518 979042057 /nfs/dbraw/zinc/04/20/57/979042057.db2.gz YVUUKJZTYFOUQF-ZIAGYGMSSA-N 3 1 239.407 1.308 20 0 BDADMP CC[NH2+]CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429518 979042058 /nfs/dbraw/zinc/04/20/58/979042058.db2.gz YVUUKJZTYFOUQF-ZIAGYGMSSA-N 3 1 239.407 1.308 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1 ZINC001235472832 979053345 /nfs/dbraw/zinc/05/33/45/979053345.db2.gz MFMVSMGECQVDAH-AWEZNQCLSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@@H]1CN(CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001235472832 979053353 /nfs/dbraw/zinc/05/33/53/979053353.db2.gz MFMVSMGECQVDAH-AWEZNQCLSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001235554630 979097108 /nfs/dbraw/zinc/09/71/08/979097108.db2.gz KSBCFACBQBDMIP-FPMFFAJLSA-N 2 1 234.343 1.012 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001235554630 979097114 /nfs/dbraw/zinc/09/71/14/979097114.db2.gz KSBCFACBQBDMIP-FPMFFAJLSA-N 2 1 234.343 1.012 20 0 BDADMP C[C@@H]([NH3+])CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001235839954 979168101 /nfs/dbraw/zinc/16/81/01/979168101.db2.gz IQCWUUIWQWMYDG-SNPRPXQTSA-N 2 1 245.370 1.292 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCCCCCC2)O1 ZINC001235840350 979170250 /nfs/dbraw/zinc/17/02/50/979170250.db2.gz LMCCUEVJKVFWSZ-LBPRGKRZSA-N 2 1 226.364 1.977 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235925291 979208380 /nfs/dbraw/zinc/20/83/80/979208380.db2.gz PYTRIMMAJDJMPM-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001235925291 979208392 /nfs/dbraw/zinc/20/83/92/979208392.db2.gz PYTRIMMAJDJMPM-OLZOCXBDSA-N 3 1 225.380 1.332 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1CCCC[NH3+] ZINC001235940591 979213039 /nfs/dbraw/zinc/21/30/39/979213039.db2.gz VGAHOBJMZDFZBZ-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CCC(CC)[N@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235960961 979230364 /nfs/dbraw/zinc/23/03/64/979230364.db2.gz ZPBNJWVXFIPUDD-NSHDSACASA-N 2 1 214.353 1.831 20 0 BDADMP CCC(CC)[N@@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235960961 979230382 /nfs/dbraw/zinc/23/03/82/979230382.db2.gz ZPBNJWVXFIPUDD-NSHDSACASA-N 2 1 214.353 1.831 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235978309 979248037 /nfs/dbraw/zinc/24/80/37/979248037.db2.gz KGHMBXGVGPZUQB-MRTXSQPYSA-N 2 1 218.344 1.622 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CC1CCCCC1)C2 ZINC001235981822 979263023 /nfs/dbraw/zinc/26/30/23/979263023.db2.gz XSJIHKYGKLXMJI-OLZOCXBDSA-N 2 1 208.349 1.990 20 0 BDADMP Nc1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC001236233155 979458353 /nfs/dbraw/zinc/45/83/53/979458353.db2.gz PJQVIKQSDRFPQQ-GFCCVEGCSA-N 2 1 245.370 1.627 20 0 BDADMP COc1cccc(C[C@H]2CCC[N@H+](CCN)C2)c1 ZINC001236304581 979509379 /nfs/dbraw/zinc/50/93/79/979509379.db2.gz LBWYLPCVOOSAIR-CQSZACIVSA-N 2 1 248.370 1.908 20 0 BDADMP COc1cccc(C[C@H]2CCC[N@@H+](CCN)C2)c1 ZINC001236304581 979509391 /nfs/dbraw/zinc/50/93/91/979509391.db2.gz LBWYLPCVOOSAIR-CQSZACIVSA-N 2 1 248.370 1.908 20 0 BDADMP Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315524 979528826 /nfs/dbraw/zinc/52/88/26/979528826.db2.gz KFNWJUHESNXBJP-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Oc1cnccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319902 979531376 /nfs/dbraw/zinc/53/13/76/979531376.db2.gz HGQRDRSHDPCKRS-TXEJJXNPSA-N 2 1 247.342 1.219 20 0 BDADMP Oc1cnccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319902 979531381 /nfs/dbraw/zinc/53/13/81/979531381.db2.gz HGQRDRSHDPCKRS-TXEJJXNPSA-N 2 1 247.342 1.219 20 0 BDADMP c1nocc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000718829203 979534235 /nfs/dbraw/zinc/53/42/35/979534235.db2.gz YMUUQFQLUPGLOJ-UHFFFAOYSA-N 2 1 235.331 1.434 20 0 BDADMP CC[N@@H+](CCCCCO)C[C@H]1CC[NH2+]C1 ZINC001236409205 979582779 /nfs/dbraw/zinc/58/27/79/979582779.db2.gz YWACHSNUJXFASZ-LBPRGKRZSA-N 2 1 214.353 1.080 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(N)c1 ZINC001236420753 979590360 /nfs/dbraw/zinc/59/03/60/979590360.db2.gz NMKYDUNTSFYSRI-MFKMUULPSA-N 2 1 219.332 1.580 20 0 BDADMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(N)c1 ZINC001236420753 979590369 /nfs/dbraw/zinc/59/03/69/979590369.db2.gz NMKYDUNTSFYSRI-MFKMUULPSA-N 2 1 219.332 1.580 20 0 BDADMP CC(C)(C)C[N@@H+](CCN)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767933 979725090 /nfs/dbraw/zinc/72/50/90/979725090.db2.gz KVVAETGRLTYAFH-HAQNSBGRSA-N 2 1 227.396 1.563 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC001205257181 979755066 /nfs/dbraw/zinc/75/50/66/979755066.db2.gz TUARQAQOMOPJQM-OAHLLOKOSA-N 2 1 248.370 1.882 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccco2)CC1 ZINC001205257124 979755823 /nfs/dbraw/zinc/75/58/23/979755823.db2.gz SIXSSCDDBWSOKO-GFCCVEGCSA-N 2 1 208.305 1.983 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)CCc1ccc(OC)cc1 ZINC001236859188 979762306 /nfs/dbraw/zinc/76/23/06/979762306.db2.gz INNJBLAJTWVTLQ-ZDUSSCGKSA-N 2 1 236.359 1.907 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCc1ccc(OC)cc1 ZINC001236859188 979762310 /nfs/dbraw/zinc/76/23/10/979762310.db2.gz INNJBLAJTWVTLQ-ZDUSSCGKSA-N 2 1 236.359 1.907 20 0 BDADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCO ZINC001237083175 979813847 /nfs/dbraw/zinc/81/38/47/979813847.db2.gz WTNOYIZKDSDRLQ-YHWZYXNKSA-N 2 1 226.364 1.351 20 0 BDADMP COc1cncc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205266990 979823376 /nfs/dbraw/zinc/82/33/76/979823376.db2.gz ZKYFLUYNUDHJET-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1cncc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205266990 979823378 /nfs/dbraw/zinc/82/33/78/979823378.db2.gz ZKYFLUYNUDHJET-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001237221357 979853252 /nfs/dbraw/zinc/85/32/52/979853252.db2.gz VLEYRHJUWKQXEN-ZDUSSCGKSA-N 2 1 223.364 1.457 20 0 BDADMP C[C@@]1(CO)CC[N@@H+](Cc2cccc3cncn32)C1 ZINC001238104683 980157472 /nfs/dbraw/zinc/15/74/72/980157472.db2.gz YRBSNPKFRCSMTA-CQSZACIVSA-N 2 1 245.326 1.539 20 0 BDADMP C[C@@]1(CO)CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104683 980157478 /nfs/dbraw/zinc/15/74/78/980157478.db2.gz YRBSNPKFRCSMTA-CQSZACIVSA-N 2 1 245.326 1.539 20 0 BDADMP CN(Cc1cccc2c[nH+]cn21)[C@@H]1CC[N@@H+](C)C1 ZINC001238114746 980159834 /nfs/dbraw/zinc/15/98/34/980159834.db2.gz VTLNQNBBOXXFFA-CYBMUJFWSA-N 2 1 244.342 1.470 20 0 BDADMP C[N@@H+](Cc1cccc2c[nH+]cn21)[C@H]1CCCOC1 ZINC001238112138 980162313 /nfs/dbraw/zinc/16/23/13/980162313.db2.gz BLAXYRKXHJOORK-AWEZNQCLSA-N 2 1 245.326 1.945 20 0 BDADMP OC[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112142 980162881 /nfs/dbraw/zinc/16/28/81/980162881.db2.gz BMVANVGLZYUKQI-LLVKDONJSA-N 2 1 231.299 1.149 20 0 BDADMP OC[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112142 980162875 /nfs/dbraw/zinc/16/28/75/980162875.db2.gz BMVANVGLZYUKQI-LLVKDONJSA-N 2 1 231.299 1.149 20 0 BDADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001343714230 980215883 /nfs/dbraw/zinc/21/58/83/980215883.db2.gz LXXPKCSXDQMBNA-QJPTWQEYSA-N 2 1 241.379 1.101 20 0 BDADMP C1=C(C2=CCC[NH2+]CC2)C=C2CCC[NH+]=C2N1 ZINC001238950964 980389556 /nfs/dbraw/zinc/38/95/56/980389556.db2.gz RELDFRQMKGLZIT-UHFFFAOYSA-N 2 1 229.327 1.902 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OC)c1F ZINC001345099701 980547825 /nfs/dbraw/zinc/54/78/25/980547825.db2.gz KCZSNKFNXYYLCB-SNVBAGLBSA-N 2 1 240.322 1.779 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC000075640786 980551422 /nfs/dbraw/zinc/55/14/22/980551422.db2.gz BCMPSPYZYVSKDZ-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCOC(=O)C[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC001345955658 980715891 /nfs/dbraw/zinc/71/58/91/980715891.db2.gz JJTUUJCFLNYYDZ-SNVBAGLBSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)C[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC001345955658 980715896 /nfs/dbraw/zinc/71/58/96/980715896.db2.gz JJTUUJCFLNYYDZ-SNVBAGLBSA-N 2 1 228.336 1.141 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001205546822 980951891 /nfs/dbraw/zinc/95/18/91/980951891.db2.gz YWZKRZAZJVTXIJ-CHWSQXEVSA-N 2 1 244.354 1.708 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2nccs2)CC[C@H]1C[NH3+] ZINC001205602218 981165168 /nfs/dbraw/zinc/16/51/68/981165168.db2.gz HSWPEODUTOBCAE-QWRGUYRKSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc[nH]c2=O)CC[C@@H]1C[NH3+] ZINC001205617741 981221540 /nfs/dbraw/zinc/22/15/40/981221540.db2.gz NAXGHAMGKYDXPY-VXGBXAGGSA-N 2 1 249.358 1.594 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(N)n1 ZINC001347989494 981236444 /nfs/dbraw/zinc/23/64/44/981236444.db2.gz DGUSEYRFMJQVMK-NXEZZACHSA-N 2 1 235.335 1.344 20 0 BDADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N)n2)C[N@@H+]1C1CC1 ZINC001348031609 981251186 /nfs/dbraw/zinc/25/11/86/981251186.db2.gz OREMUBRBTDZVLF-BDAKNGLRSA-N 2 1 233.319 1.096 20 0 BDADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N)n2)C[N@H+]1C1CC1 ZINC001348031609 981251190 /nfs/dbraw/zinc/25/11/90/981251190.db2.gz OREMUBRBTDZVLF-BDAKNGLRSA-N 2 1 233.319 1.096 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnn(C(C)C)c1 ZINC001348515367 981380172 /nfs/dbraw/zinc/38/01/72/981380172.db2.gz LLEZDMAUGJTKDW-NSHDSACASA-N 2 1 224.352 1.552 20 0 BDADMP CCc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc[nH+]1 ZINC001348564741 981396199 /nfs/dbraw/zinc/39/61/99/981396199.db2.gz CLLZIFJJHKLPIX-NILFDRSVSA-N 2 1 245.370 1.818 20 0 BDADMP CCc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc[nH+]1 ZINC001348564739 981396789 /nfs/dbraw/zinc/39/67/89/981396789.db2.gz CLLZIFJJHKLPIX-BYCMXARLSA-N 2 1 245.370 1.818 20 0 BDADMP Cc1n[nH]cc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001240521689 981454194 /nfs/dbraw/zinc/45/41/94/981454194.db2.gz WDVRFNXQYHLJMA-UHFFFAOYSA-N 2 1 243.314 1.190 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001349608279 981595489 /nfs/dbraw/zinc/59/54/89/981595489.db2.gz KAOATICKNNXSHH-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP O[C@H]1CCCC[C@H]1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001580880836 981691478 /nfs/dbraw/zinc/69/14/78/981691478.db2.gz ZEHCYYTULGXKEF-FQUUOJAGSA-N 2 1 238.375 1.412 20 0 BDADMP c1cc2n(n1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001580891979 981724732 /nfs/dbraw/zinc/72/47/32/981724732.db2.gz LEXMMECCQYDQKT-GFCCVEGCSA-N 2 1 234.347 1.088 20 0 BDADMP c1cnc([C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cn1 ZINC001580896699 981735463 /nfs/dbraw/zinc/73/54/63/981735463.db2.gz NNAFIUSFCMFTGY-QWHCGFSZSA-N 2 1 246.358 1.266 20 0 BDADMP Cc1[nH+]c(N)ccc1C=C1CC[NH2+]CC1 ZINC001240878945 981935316 /nfs/dbraw/zinc/93/53/16/981935316.db2.gz WEVXWFKKCCDOJE-UHFFFAOYSA-N 2 1 203.289 1.739 20 0 BDADMP Cc1cc(C2=CC[N@@H+](C)CC2)nc2c1C[NH2+]CC2 ZINC001241308553 982450580 /nfs/dbraw/zinc/45/05/80/982450580.db2.gz UHADIOOIKXWZRH-UHFFFAOYSA-N 2 1 243.354 1.755 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CCCCO2)C1 ZINC001205803933 982559846 /nfs/dbraw/zinc/55/98/46/982559846.db2.gz KRSVEXGXNPSDLT-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001205803933 982559853 /nfs/dbraw/zinc/55/98/53/982559853.db2.gz KRSVEXGXNPSDLT-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP Cc1[nH+]cc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])n1C ZINC001205804358 982563819 /nfs/dbraw/zinc/56/38/19/982563819.db2.gz NGVNTFOBEZFUFX-CMPLNLGQSA-N 2 1 236.363 1.288 20 0 BDADMP CC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201509008 983271244 /nfs/dbraw/zinc/27/12/44/983271244.db2.gz LKVKDKYSORWZCL-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H](C)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001201509008 983271256 /nfs/dbraw/zinc/27/12/56/983271256.db2.gz LKVKDKYSORWZCL-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001201509008 983271262 /nfs/dbraw/zinc/27/12/62/983271262.db2.gz LKVKDKYSORWZCL-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001201509008 983271270 /nfs/dbraw/zinc/27/12/70/983271270.db2.gz LKVKDKYSORWZCL-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP Cc1cc(N)[nH+]cc1-c1cc(C[NH3+])ccn1 ZINC001242068022 983297686 /nfs/dbraw/zinc/29/76/86/983297686.db2.gz JUWCLELSJSKCRF-UHFFFAOYSA-N 2 1 214.272 1.493 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)Nc1cc(N)[nH+]cn1 ZINC001354497286 983316416 /nfs/dbraw/zinc/31/64/16/983316416.db2.gz SGSQKMBGZIBNBF-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)Nc1cc(N)nc[nH+]1 ZINC001354497286 983316421 /nfs/dbraw/zinc/31/64/21/983316421.db2.gz SGSQKMBGZIBNBF-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP CC[N@H+]1CCn2cc(CN3CCCCC3)nc2C1 ZINC001201581362 983343674 /nfs/dbraw/zinc/34/36/74/983343674.db2.gz SSXPXPFWDHSELP-UHFFFAOYSA-N 2 1 248.374 1.705 20 0 BDADMP CCCCC[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001201744651 983451856 /nfs/dbraw/zinc/45/18/56/983451856.db2.gz NDRFWBPBNSJVBS-UHFFFAOYSA-N 2 1 225.380 1.108 20 0 BDADMP CCCC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001252106616 983645259 /nfs/dbraw/zinc/64/52/59/983645259.db2.gz AAPSBAXKTYTODH-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCCCC1 ZINC001205946721 983651271 /nfs/dbraw/zinc/65/12/71/983651271.db2.gz PRUZJCWFHXAXGH-VXGBXAGGSA-N 2 1 226.364 1.351 20 0 BDADMP CCCC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001252107108 983667038 /nfs/dbraw/zinc/66/70/38/983667038.db2.gz DXTYARPXYQBCBQ-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CCCC[C@@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001252108677 983681542 /nfs/dbraw/zinc/68/15/42/983681542.db2.gz QXEUUIXRGWOOFJ-SNVBAGLBSA-N 2 1 211.309 1.093 20 0 BDADMP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H](C)N1 ZINC000202092071 984005313 /nfs/dbraw/zinc/00/53/13/984005313.db2.gz ZXXWWCIYRRMDKA-TXEJJXNPSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1CN(CC2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000202092071 984005322 /nfs/dbraw/zinc/00/53/22/984005322.db2.gz ZXXWWCIYRRMDKA-TXEJJXNPSA-N 2 1 225.380 1.010 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CC1CCOCC1)C2 ZINC001202598633 984103781 /nfs/dbraw/zinc/10/37/81/984103781.db2.gz PUXONEIYJKMZCJ-ZIAGYGMSSA-N 2 1 238.375 1.297 20 0 BDADMP CC(C)COC(=O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001575606437 984130286 /nfs/dbraw/zinc/13/02/86/984130286.db2.gz VYPIZQPLLIJOFQ-UHFFFAOYSA-N 2 1 242.363 1.117 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576261772 984157782 /nfs/dbraw/zinc/15/77/82/984157782.db2.gz AXDLPMVBRMZZNJ-CYDGBPFRSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576271077 984166441 /nfs/dbraw/zinc/16/64/41/984166441.db2.gz BWHSOZKDHUMHIP-VOAKCMCISA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CC2(CC([NH2+]C(C)(C)C[NH3+])C2)CO1 ZINC001576636244 984178521 /nfs/dbraw/zinc/17/85/21/984178521.db2.gz IBIJBVFZJCMHEO-GRZMOONWSA-N 2 1 212.337 1.271 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3CC[NH2+]C34CCC4)[C@@H]2C1 ZINC001578521179 984215785 /nfs/dbraw/zinc/21/57/85/984215785.db2.gz MMFKELDYNLNYHE-RFQIPJPRSA-N 2 1 249.402 1.201 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](N[C@@H]3C[C@H]([NH3+])C34CCC4)[C@@H]2C1 ZINC001578521161 984217165 /nfs/dbraw/zinc/21/71/65/984217165.db2.gz MGPMOLUOWRSYEY-ZUWCUPBKSA-N 2 1 249.402 1.186 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2)[C@H]1C ZINC000389731212 984354912 /nfs/dbraw/zinc/35/49/12/984354912.db2.gz PSXKJRFHWSNDOB-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000389731212 984354917 /nfs/dbraw/zinc/35/49/17/984354917.db2.gz PSXKJRFHWSNDOB-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000389731212 984354922 /nfs/dbraw/zinc/35/49/22/984354922.db2.gz PSXKJRFHWSNDOB-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP Cn1cncc1C[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579986085 984358972 /nfs/dbraw/zinc/35/89/72/984358972.db2.gz QTHZAXVMSXOQDX-TZMCWYRMSA-N 2 1 248.374 1.371 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCO)Cc2cccnc2)C1 ZINC001580387512 984514876 /nfs/dbraw/zinc/51/48/76/984514876.db2.gz JZXZHKBUDKLMJB-GXTWGEPZSA-N 2 1 249.358 1.003 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC001580423002 984536196 /nfs/dbraw/zinc/53/61/96/984536196.db2.gz LINSSNYRAPNLPV-TXEJJXNPSA-N 2 1 248.326 1.427 20 0 BDADMP CC[N@@H+](CCCCCCC[NH3+])[C@@H]1CCNC1=O ZINC001577713161 984648145 /nfs/dbraw/zinc/64/81/45/984648145.db2.gz PFBQJKLEXRIJJC-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CC[NH+]1CCC(CN[C@H]2C[NH2+]CC23CC3)CC1 ZINC001577764368 984731099 /nfs/dbraw/zinc/73/10/99/984731099.db2.gz YVFNBIVWNMWJJW-ZDUSSCGKSA-N 2 1 237.391 1.060 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC001276066634 984808987 /nfs/dbraw/zinc/80/89/87/984808987.db2.gz NEDIJKYZFDGJTD-TXEJJXNPSA-N 2 1 235.331 1.448 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1 ZINC001276066634 984808990 /nfs/dbraw/zinc/80/89/90/984808990.db2.gz NEDIJKYZFDGJTD-TXEJJXNPSA-N 2 1 235.331 1.448 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1 ZINC001276066634 984808991 /nfs/dbraw/zinc/80/89/91/984808991.db2.gz NEDIJKYZFDGJTD-TXEJJXNPSA-N 2 1 235.331 1.448 20 0 BDADMP CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 ZINC001577936063 984821883 /nfs/dbraw/zinc/82/18/83/984821883.db2.gz NAPBDPUWCGFPQO-VXGBXAGGSA-N 2 1 242.363 1.102 20 0 BDADMP CCOC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC001578025399 984831170 /nfs/dbraw/zinc/83/11/70/984831170.db2.gz IDNGLWFVDYWZLR-RYUDHWBXSA-N 2 1 242.363 1.260 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccnn3C)(C1)CCC2 ZINC001276281621 984839830 /nfs/dbraw/zinc/83/98/30/984839830.db2.gz MNHUBRFCWRRWGJ-UONOGXRCSA-N 2 1 248.374 1.575 20 0 BDADMP CCOC1CC(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001578087139 984846201 /nfs/dbraw/zinc/84/62/01/984846201.db2.gz DVGZZPBJWVIMDW-DKNRTOFZSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@H]1CC([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H](C)O1 ZINC001257100973 984852886 /nfs/dbraw/zinc/85/28/86/984852886.db2.gz YTWXBOQDPOSQSZ-ZDEQEGDKSA-N 2 1 238.375 1.436 20 0 BDADMP C[C@H]1CC([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@H](C)O1 ZINC001257100973 984852889 /nfs/dbraw/zinc/85/28/89/984852889.db2.gz YTWXBOQDPOSQSZ-ZDEQEGDKSA-N 2 1 238.375 1.436 20 0 BDADMP C[C@H]1CC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@H](C)O1 ZINC001257100973 984852890 /nfs/dbraw/zinc/85/28/90/984852890.db2.gz YTWXBOQDPOSQSZ-ZDEQEGDKSA-N 2 1 238.375 1.436 20 0 BDADMP CCC[C@@H](CC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001257248242 984855034 /nfs/dbraw/zinc/85/50/34/984855034.db2.gz LCKKIUDYZQFMPG-GHMZBOCLSA-N 2 1 225.336 1.496 20 0 BDADMP CCC[C@@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001257328606 984898340 /nfs/dbraw/zinc/89/83/40/984898340.db2.gz RTSKTVPXWOHVDI-GFCCVEGCSA-N 2 1 225.380 1.107 20 0 BDADMP CCc1cc(N[C@H]2C[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC001578249227 984900771 /nfs/dbraw/zinc/90/07/71/984900771.db2.gz UWWKNCBUCXTFOO-WAAGHKOSSA-N 2 1 206.293 1.249 20 0 BDADMP CCc1ccccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001578277102 984925799 /nfs/dbraw/zinc/92/57/99/984925799.db2.gz PBSPVBKBVKGMIQ-KBPBESRZSA-N 2 1 234.343 1.061 20 0 BDADMP CCn1cnc(Cl)c1C[NH2+][C@@H](C)CC[NH3+] ZINC001578357464 984995803 /nfs/dbraw/zinc/99/58/03/984995803.db2.gz VYYBLOIEWIVHPT-QMMMGPOBSA-N 2 1 230.743 1.383 20 0 BDADMP CC[C@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001257429346 984996410 /nfs/dbraw/zinc/99/64/10/984996410.db2.gz PVYIGYGNSGGJPY-VHSXEESVSA-N 2 1 216.325 1.045 20 0 BDADMP CCn1cnc2c1CC[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC001578357281 984997024 /nfs/dbraw/zinc/99/70/24/984997024.db2.gz QRWIUIVUKDLSSC-NWDGAFQWSA-N 2 1 248.374 1.389 20 0 BDADMP CC[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257431511 985001901 /nfs/dbraw/zinc/00/19/01/985001901.db2.gz HVKXFIZQSTZXLF-SRVKXCTJSA-N 2 1 226.364 1.756 20 0 BDADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000685984906 985024521 /nfs/dbraw/zinc/02/45/21/985024521.db2.gz DNKMIMSJMRZLGM-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000685984906 985024527 /nfs/dbraw/zinc/02/45/27/985024527.db2.gz DNKMIMSJMRZLGM-ZDUSSCGKSA-N 2 1 226.364 1.318 20 0 BDADMP CN(C)C1(C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC001578408839 985045505 /nfs/dbraw/zinc/04/55/05/985045505.db2.gz DDWVKVWCSNLCBS-LBPRGKRZSA-N 2 1 241.423 1.824 20 0 BDADMP C[NH+](C)Cc1cnc(CNC(C)(C)C[NH3+])s1 ZINC001578421173 985054266 /nfs/dbraw/zinc/05/42/66/985054266.db2.gz LBSXRSCDTOXSPR-UHFFFAOYSA-N 2 1 242.392 1.032 20 0 BDADMP C[N@@H+](C[C@@]1(C)CCCCO1)C1CC([NH3+])C1 ZINC001578445760 985079381 /nfs/dbraw/zinc/07/93/81/985079381.db2.gz VNXCBHJFIFMTIJ-HTAVTVPLSA-N 2 1 212.337 1.367 20 0 BDADMP C[N@H+](C[C@H](O)C[NH3+])C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001578446532 985080727 /nfs/dbraw/zinc/08/07/27/985080727.db2.gz ZIBAFAMEDRFBKP-RBSFLKMASA-N 2 1 248.370 1.432 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001578446532 985080739 /nfs/dbraw/zinc/08/07/39/985080739.db2.gz ZIBAFAMEDRFBKP-RBSFLKMASA-N 2 1 248.370 1.432 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@H]1CCCC[C@@H]1O ZINC001578451112 985082958 /nfs/dbraw/zinc/08/29/58/985082958.db2.gz DWTXJLHRIRZVDB-DGAVXFQQSA-N 2 1 240.391 1.597 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@H]1CCCC[C@H]1O ZINC001578451115 985083059 /nfs/dbraw/zinc/08/30/59/985083059.db2.gz DWTXJLHRIRZVDB-REWJHTLYSA-N 2 1 240.391 1.597 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H]1O ZINC001578463321 985097592 /nfs/dbraw/zinc/09/75/92/985097592.db2.gz CEYYHWLDKGJPIK-YNEHKIRRSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCC1OCCCO1 ZINC001578465631 985102246 /nfs/dbraw/zinc/10/22/46/985102246.db2.gz FTGZPIAYOKZPBH-UHFFFAOYSA-N 2 1 244.379 1.590 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000691985182 985109780 /nfs/dbraw/zinc/10/97/80/985109780.db2.gz JYAIXOYTKROGDR-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+](CCSc1ccncc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578479016 985111013 /nfs/dbraw/zinc/11/10/13/985111013.db2.gz ZOVOLTLXRRKMDA-ITGUQSILSA-N 2 1 249.383 1.323 20 0 BDADMP C[N@@H+](CCSc1ccncc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578479016 985111026 /nfs/dbraw/zinc/11/10/26/985111026.db2.gz ZOVOLTLXRRKMDA-ITGUQSILSA-N 2 1 249.383 1.323 20 0 BDADMP C[N@@H+](Cc1cccnc1N)C1CCC([NH3+])CC1 ZINC001578497265 985120890 /nfs/dbraw/zinc/12/08/90/985120890.db2.gz PSDDVFXQNHWUHE-UHFFFAOYSA-N 2 1 234.347 1.366 20 0 BDADMP COC(CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000686608242 985151974 /nfs/dbraw/zinc/15/19/74/985151974.db2.gz CJJMFAXVELREPS-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP COC(CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000686608242 985151985 /nfs/dbraw/zinc/15/19/85/985151985.db2.gz CJJMFAXVELREPS-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP COC(CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000686608242 985152011 /nfs/dbraw/zinc/15/20/11/985152011.db2.gz CJJMFAXVELREPS-CYBMUJFWSA-N 2 1 242.363 1.023 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001578529048 985155344 /nfs/dbraw/zinc/15/53/44/985155344.db2.gz PGBAEYKBQYTTGT-NELGMTEASA-N 3 1 237.391 1.188 20 0 BDADMP C[N@H+]1CCC[C@H]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528721 985158718 /nfs/dbraw/zinc/15/87/18/985158718.db2.gz KOKLTRBQLWACQW-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP CN1CC[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)C[C@@H]21 ZINC001578541074 985178702 /nfs/dbraw/zinc/17/87/02/985178702.db2.gz ODXNRLZJKDOSQX-KGLIPLIRSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH2+]CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001578622130 985234414 /nfs/dbraw/zinc/23/44/14/985234414.db2.gz ODBNLPAWVLZPLZ-UHFFFAOYSA-N 2 1 245.326 1.323 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnn2ccccc12 ZINC001578626687 985240464 /nfs/dbraw/zinc/24/04/64/985240464.db2.gz FWXOXVVTTFJHTM-NSHDSACASA-N 2 1 232.331 1.279 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC001578637747 985246241 /nfs/dbraw/zinc/24/62/41/985246241.db2.gz CWUXHQKHNFZWLK-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257673996 985247257 /nfs/dbraw/zinc/24/72/57/985247257.db2.gz PYWXCLASQPTWMP-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257673996 985247267 /nfs/dbraw/zinc/24/72/67/985247267.db2.gz PYWXCLASQPTWMP-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257673996 985247284 /nfs/dbraw/zinc/24/72/84/985247284.db2.gz PYWXCLASQPTWMP-FRRDWIJNSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CCC(OC)CC2)C1 ZINC001578664190 985282054 /nfs/dbraw/zinc/28/20/54/985282054.db2.gz PTSIFAGCVKHXPW-ROKHWSDSSA-N 2 1 240.391 1.733 20 0 BDADMP COC(=O)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C(C)C ZINC001578829757 985403790 /nfs/dbraw/zinc/40/37/90/985403790.db2.gz HDVIWSSHVXQFLF-RYUDHWBXSA-N 2 1 242.363 1.163 20 0 BDADMP COC(=O)[C@H](CC(C)C)[NH2+]C1CC(CC[NH3+])C1 ZINC001578846221 985417573 /nfs/dbraw/zinc/41/75/73/985417573.db2.gz ZWPGTQGDZGXYFW-MCIGGMRASA-N 2 1 242.363 1.291 20 0 BDADMP CO[C@](C)(CO)C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC001578896293 985472814 /nfs/dbraw/zinc/47/28/14/985472814.db2.gz LLFYNPJJYMLLCF-AAEUAGOBSA-N 2 1 246.395 1.127 20 0 BDADMP CO[C@@H](CC(C)C)C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578900700 985492334 /nfs/dbraw/zinc/49/23/34/985492334.db2.gz KTPHNMKYTQTFIW-RDBSUJKOSA-N 2 1 240.391 1.589 20 0 BDADMP CO[C@H](C[NH2+][C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC001578912351 985516369 /nfs/dbraw/zinc/51/63/69/985516369.db2.gz CZZUMRREQWLNDS-XQQFMLRXSA-N 2 1 224.348 1.143 20 0 BDADMP COC1(C[NH2+][C@@H]2C[NH2+]CC2(C)C)CCC1 ZINC001578930219 985534712 /nfs/dbraw/zinc/53/47/12/985534712.db2.gz QKYVBAYYWVWXHR-SNVBAGLBSA-N 2 1 212.337 1.143 20 0 BDADMP COC[C@H](C[NH2+][C@H](C[NH3+])C1CC1)C(C)C ZINC001578961316 985584695 /nfs/dbraw/zinc/58/46/95/985584695.db2.gz HHWJFKZXGBBMIS-NWDGAFQWSA-N 2 1 214.353 1.232 20 0 BDADMP COC[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)C(C)C ZINC001578961317 985588716 /nfs/dbraw/zinc/58/87/16/985588716.db2.gz HHWJFKZXGBBMIS-RYUDHWBXSA-N 2 1 214.353 1.232 20 0 BDADMP COCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCC1 ZINC001578985309 985611695 /nfs/dbraw/zinc/61/16/95/985611695.db2.gz YCAIPVGOBOOEQL-WOPDTQHZSA-N 2 1 224.348 1.286 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1 ZINC001579004983 985672404 /nfs/dbraw/zinc/67/24/04/985672404.db2.gz ZEVFKUBYJMPETI-LBPRGKRZSA-N 2 1 238.331 1.149 20 0 BDADMP CO[C@H]1C[C@@H]([N@@H+](C)CCC[NH2+]C2CC2)C1 ZINC001579133383 985809136 /nfs/dbraw/zinc/80/91/36/985809136.db2.gz PFEITHMSTJXRQT-TXEJJXNPSA-N 2 1 212.337 1.238 20 0 BDADMP COc1cc(CC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)ccn1 ZINC001579150169 985815771 /nfs/dbraw/zinc/81/57/71/985815771.db2.gz GITUKQVYZUCDQM-WCQYABFASA-N 2 1 249.358 1.220 20 0 BDADMP COc1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001579212010 985818343 /nfs/dbraw/zinc/81/83/43/985818343.db2.gz IDQDNCRDHHHJNA-WDNDVIMCSA-N 2 1 232.327 1.345 20 0 BDADMP COc1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001579212010 985818347 /nfs/dbraw/zinc/81/83/47/985818347.db2.gz IDQDNCRDHHHJNA-WDNDVIMCSA-N 2 1 232.327 1.345 20 0 BDADMP C[C@@H](CC1CC1)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001258468136 985927157 /nfs/dbraw/zinc/92/71/57/985927157.db2.gz SVXUUBDDUWPJSR-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1C[NH3+] ZINC001579441762 985932226 /nfs/dbraw/zinc/93/22/26/985932226.db2.gz QWDNSTSRBROHHM-DGCLKSJQSA-N 2 1 248.374 1.174 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@](C)(O)CC1 ZINC001579454516 985939013 /nfs/dbraw/zinc/93/90/13/985939013.db2.gz ILHRYYWRBLYBGI-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001579454436 985942075 /nfs/dbraw/zinc/94/20/75/985942075.db2.gz CFFKJCJWCRWDRR-AGIUHOORSA-N 2 1 246.358 1.121 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC001579454722 985948320 /nfs/dbraw/zinc/94/83/20/985948320.db2.gz XXSNCHCGNXSUJC-RQJABVFESA-N 2 1 238.375 1.200 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CCC[C@@H]1CCOC1)C2 ZINC001579474003 985978791 /nfs/dbraw/zinc/97/87/91/985978791.db2.gz UGFYGHBBAKGXDN-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCn1ccnc1 ZINC001460996551 985994530 /nfs/dbraw/zinc/99/45/30/985994530.db2.gz AUZMMDWIUZAZKI-UHFFFAOYSA-N 2 1 245.330 1.134 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC001579499412 986028737 /nfs/dbraw/zinc/02/87/37/986028737.db2.gz NNBXJNAHQXZLLT-OUAUKWLOSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001579499605 986029085 /nfs/dbraw/zinc/02/90/85/986029085.db2.gz XKGPKQXVEHNOSD-AAVRWANBSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001579499607 986029271 /nfs/dbraw/zinc/02/92/71/986029271.db2.gz XKGPKQXVEHNOSD-YIYPIFLZSA-N 2 1 237.391 1.343 20 0 BDADMP Cc1ccnc(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC001579811904 986229405 /nfs/dbraw/zinc/22/94/05/986229405.db2.gz UIGCWPTYSIAAKK-YPMHNXCESA-N 2 1 217.316 1.089 20 0 BDADMP Cc1conc1C[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579830006 986257471 /nfs/dbraw/zinc/25/74/71/986257471.db2.gz MCIHNXRACKAPLB-GXTWGEPZSA-N 2 1 249.358 1.934 20 0 BDADMP Cc1conc1C[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579830006 986257483 /nfs/dbraw/zinc/25/74/83/986257483.db2.gz MCIHNXRACKAPLB-GXTWGEPZSA-N 2 1 249.358 1.934 20 0 BDADMP Cc1nocc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001462334314 986355650 /nfs/dbraw/zinc/35/56/50/986355650.db2.gz RMJQRYOTMASMRL-UHFFFAOYSA-N 2 1 242.282 1.921 20 0 BDADMP Cn1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)n1 ZINC001579971776 986372801 /nfs/dbraw/zinc/37/28/01/986372801.db2.gz ZCYCIBPCAXDBSO-GXTWGEPZSA-N 2 1 248.374 1.371 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)n1 ZINC001579971776 986372816 /nfs/dbraw/zinc/37/28/16/986372816.db2.gz ZCYCIBPCAXDBSO-GXTWGEPZSA-N 2 1 248.374 1.371 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001579980243 986378454 /nfs/dbraw/zinc/37/84/54/986378454.db2.gz LIZJGFVNKHDHGJ-RWMBFGLXSA-N 2 1 248.374 1.337 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C1CC1 ZINC001462619230 986457576 /nfs/dbraw/zinc/45/75/76/986457576.db2.gz QLHOVWFSTOCEMX-RDBSUJKOSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)C1CC1 ZINC001462619230 986457607 /nfs/dbraw/zinc/45/76/07/986457607.db2.gz QLHOVWFSTOCEMX-RDBSUJKOSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)C1CC1 ZINC001462619230 986457645 /nfs/dbraw/zinc/45/76/45/986457645.db2.gz QLHOVWFSTOCEMX-RDBSUJKOSA-N 2 1 238.375 1.295 20 0 BDADMP [NH3+][C@H](C[NH2+]CCNc1ccccc1)CC(F)F ZINC001580132974 986603026 /nfs/dbraw/zinc/60/30/26/986603026.db2.gz SLAHGESWKLTIFY-JTQLQIEISA-N 2 1 243.301 1.671 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCCC[C@H]1O)C2 ZINC001580170794 986649042 /nfs/dbraw/zinc/64/90/42/986649042.db2.gz ZKSWUZAOFJKIDH-PDWCTOEPSA-N 2 1 238.375 1.349 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](CO)CC2)CC1 ZINC001254516349 986651654 /nfs/dbraw/zinc/65/16/54/986651654.db2.gz LYTDQJPMNMCMPG-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC001254516349 986651668 /nfs/dbraw/zinc/65/16/68/986651668.db2.gz LYTDQJPMNMCMPG-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC001254516349 986651676 /nfs/dbraw/zinc/65/16/76/986651676.db2.gz LYTDQJPMNMCMPG-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP COCC[NH+](CCOC)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515728 986651838 /nfs/dbraw/zinc/65/18/38/986651838.db2.gz BPEMUWVOODDPLT-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)CC[C@H]1O ZINC001254515912 986652274 /nfs/dbraw/zinc/65/22/74/986652274.db2.gz GKLQYANRTFLHIT-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC[C@H]1O ZINC001254515912 986652279 /nfs/dbraw/zinc/65/22/79/986652279.db2.gz GKLQYANRTFLHIT-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC[C@H]1O ZINC001254515912 986652284 /nfs/dbraw/zinc/65/22/84/986652284.db2.gz GKLQYANRTFLHIT-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+](CCOC)C(C)C ZINC000379764130 986677451 /nfs/dbraw/zinc/67/74/51/986677451.db2.gz GONQTMRVPFPWCI-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](CCOC)C(C)C ZINC000379764130 986677460 /nfs/dbraw/zinc/67/74/60/986677460.db2.gz GONQTMRVPFPWCI-CYBMUJFWSA-N 2 1 246.395 1.046 20 0 BDADMP [NH3+]CC1(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001580243550 986694752 /nfs/dbraw/zinc/69/47/52/986694752.db2.gz KWBNSJYCNXOYAY-BDAKNGLRSA-N 2 1 216.275 1.312 20 0 BDADMP [NH3+]C[C@]12C[N@@H+](Cc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580254497 986707674 /nfs/dbraw/zinc/70/76/74/986707674.db2.gz CZCCNACGBKZQAM-QWHCGFSZSA-N 2 1 234.347 1.361 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](CC23CCC(CC2)C3)CCO1 ZINC001580274043 986724446 /nfs/dbraw/zinc/72/44/46/986724446.db2.gz CPEATLIWGCKVCJ-OTTFEQOBSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC23CCC(CC2)C3)CCO1 ZINC001580274043 986724457 /nfs/dbraw/zinc/72/44/57/986724457.db2.gz CPEATLIWGCKVCJ-OTTFEQOBSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001580287426 986731069 /nfs/dbraw/zinc/73/10/69/986731069.db2.gz UNWAWZIGJJFBQR-LLVKDONJSA-N 2 1 235.331 1.348 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC001580387259 986813626 /nfs/dbraw/zinc/81/36/26/986813626.db2.gz VBGGQDUIDSOQHP-IACUBPJLSA-N 2 1 238.375 1.351 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)C1 ZINC001580419230 986829117 /nfs/dbraw/zinc/82/91/17/986829117.db2.gz ZBDWPHVDDRAZDS-QCLAVDOMSA-N 2 1 216.275 1.311 20 0 BDADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC001580429921 986847068 /nfs/dbraw/zinc/84/70/68/986847068.db2.gz BGIZYDABBZQODI-KYZUINATSA-N 2 1 232.287 1.249 20 0 BDADMP Cc1cccc(C(=[NH2+])N[C@H]2CC[N@@H+](C)C2)c1 ZINC001255424214 986945180 /nfs/dbraw/zinc/94/51/80/986945180.db2.gz SJANTJTYXPLXCJ-LBPRGKRZSA-N 2 1 217.316 1.614 20 0 BDADMP Cc1cccc(C(=[NH2+])N[C@H]2CC[N@H+](C)C2)c1 ZINC001255424214 986945187 /nfs/dbraw/zinc/94/51/87/986945187.db2.gz SJANTJTYXPLXCJ-LBPRGKRZSA-N 2 1 217.316 1.614 20 0 BDADMP C[NH2+]CC[N@H+]([C@@H](C)COC)C(C)(C)C ZINC001255584175 987030575 /nfs/dbraw/zinc/03/05/75/987030575.db2.gz URYIARFAZVJGIS-JTQLQIEISA-N 2 1 202.342 1.341 20 0 BDADMP C[NH2+]CC[N@@H+]([C@@H](C)COC)C(C)(C)C ZINC001255584175 987030593 /nfs/dbraw/zinc/03/05/93/987030593.db2.gz URYIARFAZVJGIS-JTQLQIEISA-N 2 1 202.342 1.341 20 0 BDADMP CO[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073182 987127586 /nfs/dbraw/zinc/12/75/86/987127586.db2.gz OBBCGYRZVGFYMI-AWEZNQCLSA-N 2 1 238.375 1.724 20 0 BDADMP CO[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073182 987127600 /nfs/dbraw/zinc/12/76/00/987127600.db2.gz OBBCGYRZVGFYMI-AWEZNQCLSA-N 2 1 238.375 1.724 20 0 BDADMP Cc1cnc(C[NH3+])n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256615472 987246012 /nfs/dbraw/zinc/24/60/12/987246012.db2.gz JXJNFTWDVWMYBR-FOSCPWQOSA-N 2 1 234.347 1.448 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccncc1 ZINC001256718035 987277032 /nfs/dbraw/zinc/27/70/32/987277032.db2.gz ADOOJRLGCMJEDO-LLVKDONJSA-N 2 1 244.342 1.891 20 0 BDADMP C[NH+]1CCC(C[N@@H+](CCO)CC2CC2)CC1 ZINC000691587144 987284294 /nfs/dbraw/zinc/28/42/94/987284294.db2.gz TVOXFOREXSVTID-UHFFFAOYSA-N 2 1 226.364 1.033 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@@H](O)c1ccccc1 ZINC001246001830 987288004 /nfs/dbraw/zinc/28/80/04/987288004.db2.gz ORTBZSQQSRXCPX-VXGBXAGGSA-N 2 1 208.305 1.047 20 0 BDADMP CC(=O)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000692492120 987291968 /nfs/dbraw/zinc/29/19/68/987291968.db2.gz USFLZUWFXDPLHR-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000692492120 987291978 /nfs/dbraw/zinc/29/19/78/987291978.db2.gz USFLZUWFXDPLHR-CQSZACIVSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692950607 987299631 /nfs/dbraw/zinc/29/96/31/987299631.db2.gz SGVWJRNMKBWVSV-YPMHNXCESA-N 2 1 226.364 1.079 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000693030515 987302691 /nfs/dbraw/zinc/30/26/91/987302691.db2.gz HUBRFBSTBNSSFC-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246017513 987304098 /nfs/dbraw/zinc/30/40/98/987304098.db2.gz BBASKBZVFVIYEN-WOPDTQHZSA-N 2 1 214.353 1.207 20 0 BDADMP CCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246017513 987304108 /nfs/dbraw/zinc/30/41/08/987304108.db2.gz BBASKBZVFVIYEN-WOPDTQHZSA-N 2 1 214.353 1.207 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246020837 987306365 /nfs/dbraw/zinc/30/63/65/987306365.db2.gz KCIVGVPLKBAZFZ-RDBSUJKOSA-N 2 1 242.407 1.987 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246020837 987306375 /nfs/dbraw/zinc/30/63/75/987306375.db2.gz KCIVGVPLKBAZFZ-RDBSUJKOSA-N 2 1 242.407 1.987 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246022123 987311619 /nfs/dbraw/zinc/31/16/19/987311619.db2.gz OWPOJPBODHRCSU-STQMWFEESA-N 2 1 228.380 1.598 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246021623 987313818 /nfs/dbraw/zinc/31/38/18/987313818.db2.gz KYMGBVOZWBEJCS-UPJWGTAASA-N 2 1 228.380 1.454 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](C[C@@H](O)C(F)(F)F)CC1 ZINC001246022338 987313831 /nfs/dbraw/zinc/31/38/31/987313831.db2.gz QVGOLNWDAFHXDS-BDAKNGLRSA-N 2 1 240.269 1.113 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@@H](O)C(F)(F)F)CC1 ZINC001246022338 987313837 /nfs/dbraw/zinc/31/38/37/987313837.db2.gz QVGOLNWDAFHXDS-BDAKNGLRSA-N 2 1 240.269 1.113 20 0 BDADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCC[C@@H]1C[NH3+] ZINC001246027433 987322990 /nfs/dbraw/zinc/32/29/90/987322990.db2.gz HNTMTITULVOXRS-WDEREUQCSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCC[C@@H]1C[NH3+] ZINC001246027429 987324894 /nfs/dbraw/zinc/32/48/94/987324894.db2.gz HNTMTITULVOXRS-GHMZBOCLSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@](O)(C[NH+]1CC(C)(C[NH3+])C1)c1ccccc1 ZINC001246031054 987331268 /nfs/dbraw/zinc/33/12/68/987331268.db2.gz HGHHHOCLXRZXHL-CQSZACIVSA-N 2 1 234.343 1.175 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246060952 987351229 /nfs/dbraw/zinc/35/12/29/987351229.db2.gz RZBFMBGLYYDTEQ-HZSPNIEDSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCSC2)C[NH2+]1 ZINC001246074487 987364973 /nfs/dbraw/zinc/36/49/73/987364973.db2.gz AEGZRYVVCSJTFX-LPEHRKFASA-N 2 1 200.351 1.222 20 0 BDADMP C[NH2+]C1CCC([NH2+]CC2(N)CCCC2)CC1 ZINC001246077712 987368577 /nfs/dbraw/zinc/36/85/77/987368577.db2.gz XVKHREJAXGVEJB-UHFFFAOYSA-N 2 1 225.380 1.378 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C[NH2+]1 ZINC001246079281 987373992 /nfs/dbraw/zinc/37/39/92/987373992.db2.gz JRRSHJGFIZULRQ-BJDJZHNGSA-N 2 1 236.359 1.474 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCCC[NH3+])C[NH2+]1 ZINC001246082208 987375117 /nfs/dbraw/zinc/37/51/17/987375117.db2.gz VYLCVSSXPLJTRG-CHWSQXEVSA-N 3 1 227.396 1.626 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246082121 987377857 /nfs/dbraw/zinc/37/78/57/987377857.db2.gz UDLKODJZGCHWEX-OBJOEFQTSA-N 2 1 233.359 1.743 20 0 BDADMP Cc1cc(C)n(CC[NH2+][C@@H]2CC[C@H](C)NC2)n1 ZINC001246083707 987381739 /nfs/dbraw/zinc/38/17/39/987381739.db2.gz HZZWSRAZWANRTJ-GXFFZTMASA-N 2 1 236.363 1.230 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC001246087660 987390623 /nfs/dbraw/zinc/39/06/23/987390623.db2.gz ZRWMARUUHFEZHX-YFKTTZPYSA-N 2 1 212.337 1.284 20 0 BDADMP F[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246088983 987391829 /nfs/dbraw/zinc/39/18/29/987391829.db2.gz NQNACUWYXVFRRV-AXFHLTTASA-N 2 1 200.301 1.609 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096925 987407873 /nfs/dbraw/zinc/40/78/73/987407873.db2.gz NQTLJYBKYBTLJR-LSGALXMHSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246098954 987414862 /nfs/dbraw/zinc/41/48/62/987414862.db2.gz UITAIAHHXPXBFE-BEUHCMRWSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246099411 987418912 /nfs/dbraw/zinc/41/89/12/987418912.db2.gz LTOBFBVWHUMCAP-XQQFMLRXSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246104954 987433674 /nfs/dbraw/zinc/43/36/74/987433674.db2.gz AGYOFFQQOXFSPJ-AVGNSLFASA-N 3 1 225.380 1.106 20 0 BDADMP C(C[NH2+][C@H]1CCC[NH2+]C1)CC1CC[NH2+]CC1 ZINC001246107694 987436304 /nfs/dbraw/zinc/43/63/04/987436304.db2.gz UIEDIHAZQDBPFL-ZDUSSCGKSA-N 3 1 225.380 1.108 20 0 BDADMP C[NH2+]CC[C@@H](C)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001246109327 987442928 /nfs/dbraw/zinc/44/29/28/987442928.db2.gz NWGJXTQFTOIPJJ-GFCCVEGCSA-N 2 1 247.386 1.420 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246112116 987444476 /nfs/dbraw/zinc/44/44/76/987444476.db2.gz NBBYLIVMZKRPGO-LOWDOPEQSA-N 3 1 239.407 1.351 20 0 BDADMP C[C@@H]1CC([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246112117 987446917 /nfs/dbraw/zinc/44/69/17/987446917.db2.gz NBBYLIVMZKRPGO-LPWJVIDDSA-N 3 1 239.407 1.351 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC001246114466 987454334 /nfs/dbraw/zinc/45/43/34/987454334.db2.gz WQOOWWMCIZZXSF-MROQNXINSA-N 3 1 225.380 1.105 20 0 BDADMP CCCC[C@H]1C[C@@H]([NH2+]CCC[NH2+]C)CC[NH2+]1 ZINC001246114937 987456176 /nfs/dbraw/zinc/45/61/76/987456176.db2.gz QKNXDBKLCWKAQC-STQMWFEESA-N 3 1 227.396 1.496 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246119625 987463637 /nfs/dbraw/zinc/46/36/37/987463637.db2.gz WRTCEFPMHBYMRI-LPWJVIDDSA-N 3 1 225.380 1.105 20 0 BDADMP C1CC12C[NH2+]C[C@@H]2[NH2+]C1CCSCC1 ZINC001246132804 987472037 /nfs/dbraw/zinc/47/20/37/987472037.db2.gz MEHCTDBOZJTGGG-JTQLQIEISA-N 2 1 212.362 1.224 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132303 987484366 /nfs/dbraw/zinc/48/43/66/987484366.db2.gz LNXHCWUGPAFYAN-NEPJUHHUSA-N 2 1 226.364 1.532 20 0 BDADMP C1CC12C[NH2+]C[C@H]2[NH2+][C@H]1CCCSC1 ZINC001246136693 987494937 /nfs/dbraw/zinc/49/49/37/987494937.db2.gz XOUXNJADAFUMJR-VHSXEESVSA-N 2 1 212.362 1.224 20 0 BDADMP C1[C@H]2C[NH2+]C[C@@]12[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246137724 987499527 /nfs/dbraw/zinc/49/95/27/987499527.db2.gz ZXOGMHDZERDRLK-WFASDCNBSA-N 3 1 249.402 1.250 20 0 BDADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246165019 987526694 /nfs/dbraw/zinc/52/66/94/987526694.db2.gz CRTNHKUTQKBPQS-UHFFFAOYSA-N 2 1 247.342 1.487 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N)CC[NH2+]1 ZINC001246166998 987528198 /nfs/dbraw/zinc/52/81/98/987528198.db2.gz UBFVRMPTGZDZDV-ZYHUDNBSSA-N 2 1 219.332 1.499 20 0 BDADMP CCCC[N@@H+](C)CCCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246183101 987556021 /nfs/dbraw/zinc/55/60/21/987556021.db2.gz DGCUZLBZRFDHPK-KBPBESRZSA-N 2 1 241.423 1.839 20 0 BDADMP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246186946 987565159 /nfs/dbraw/zinc/56/51/59/987565159.db2.gz KCCWMIITGAFLBI-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CCC[NH2+]1)C2 ZINC001246186693 987567519 /nfs/dbraw/zinc/56/75/19/987567519.db2.gz GUGJUJWLFKNSCG-SYQHCUMBSA-N 2 1 237.391 1.343 20 0 BDADMP Fc1cccc2c1C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246187178 987568079 /nfs/dbraw/zinc/56/80/79/987568079.db2.gz MFBMDOXHCDDWIQ-VXGBXAGGSA-N 2 1 234.318 1.635 20 0 BDADMP C[N@H+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246188562 987573512 /nfs/dbraw/zinc/57/35/12/987573512.db2.gz IQNQHLDRIVKCCG-ICIURTGMSA-N 2 1 237.391 1.343 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246188562 987573519 /nfs/dbraw/zinc/57/35/19/987573519.db2.gz IQNQHLDRIVKCCG-ICIURTGMSA-N 3 1 237.391 1.343 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246188562 987573535 /nfs/dbraw/zinc/57/35/35/987573535.db2.gz IQNQHLDRIVKCCG-ICIURTGMSA-N 3 1 237.391 1.343 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246210676 987606414 /nfs/dbraw/zinc/60/64/14/987606414.db2.gz JMCDRYJEJJIFMD-NWDGAFQWSA-N 3 1 225.380 1.106 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC001116505160 987608642 /nfs/dbraw/zinc/60/86/42/987608642.db2.gz CMXBZZBYAYCUNF-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP OCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246229124 987624903 /nfs/dbraw/zinc/62/49/03/987624903.db2.gz IFMICKGXDNEGCP-YIONKMFJSA-N 2 1 246.354 1.552 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246232129 987628660 /nfs/dbraw/zinc/62/86/60/987628660.db2.gz WHSSQZNXHROGPA-XJFOESAGSA-N 3 1 239.407 1.623 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CN1 ZINC001246231818 987629120 /nfs/dbraw/zinc/62/91/20/987629120.db2.gz HJZCSSDMJKUFFH-IKWCTNDRSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CN1 ZINC001246231818 987629124 /nfs/dbraw/zinc/62/91/24/987629124.db2.gz HJZCSSDMJKUFFH-IKWCTNDRSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](O)CC2)C[NH2+]1 ZINC001246230639 987629523 /nfs/dbraw/zinc/62/95/23/987629523.db2.gz NXDZCYAVUYTQQW-NNYUYHANSA-N 2 1 212.337 1.020 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246233798 987633162 /nfs/dbraw/zinc/63/31/62/987633162.db2.gz AWTSERPHDZGDCV-QNSTZXKLSA-N 3 1 239.407 1.765 20 0 BDADMP c1cnc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246233447 987633235 /nfs/dbraw/zinc/63/32/35/987633235.db2.gz CTRMUWSLPQAMKR-PIGZVRMJSA-N 2 1 243.354 1.942 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(=O)CC2)C[NH2+]1 ZINC001246237349 987634865 /nfs/dbraw/zinc/63/48/65/987634865.db2.gz SDJOUROJVZKLOL-MWLCHTKSSA-N 2 1 210.321 1.228 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC001246258298 987654653 /nfs/dbraw/zinc/65/46/53/987654653.db2.gz WCRIZKNHRBMXJJ-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2=O)CC[NH2+]1 ZINC001246262064 987656793 /nfs/dbraw/zinc/65/67/93/987656793.db2.gz HLTQHZITIXSWRG-GMTAPVOTSA-N 2 1 210.321 1.228 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246275611 987669875 /nfs/dbraw/zinc/66/98/75/987669875.db2.gz AWTSERPHDZGDCV-HPCHECBXSA-N 3 1 239.407 1.765 20 0 BDADMP CC1(C)CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)C1 ZINC001246301565 987696675 /nfs/dbraw/zinc/69/66/75/987696675.db2.gz XVCITIBVXGKTAQ-GRYCIOLGSA-N 2 1 226.364 1.125 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2CC=CCC2)CC1 ZINC001474393230 987708621 /nfs/dbraw/zinc/70/86/21/987708621.db2.gz LZCANKJNNHJLGC-UHFFFAOYSA-N 2 1 208.349 1.980 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[NH2+]1 ZINC001246316038 987720534 /nfs/dbraw/zinc/72/05/34/987720534.db2.gz OKVIZYYGSYKQLH-DWZYQQQCSA-N 2 1 246.354 1.375 20 0 BDADMP CO[C@@H](C)C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001474443043 987724759 /nfs/dbraw/zinc/72/47/59/987724759.db2.gz PHZZSILHCOUQBT-STQMWFEESA-N 2 1 244.379 1.112 20 0 BDADMP C[C@@H]1C[C@H](NCc2ccccc2C[NH3+])CC[NH2+]1 ZINC001246322250 987727522 /nfs/dbraw/zinc/72/75/22/987727522.db2.gz GQJYTXSGCDDBPS-BXUZGUMPSA-N 2 1 233.359 1.375 20 0 BDADMP CC[C@H](N)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246320607 987727785 /nfs/dbraw/zinc/72/77/85/987727785.db2.gz YZLCIGJFKLXKAN-NWDGAFQWSA-N 2 1 225.380 1.236 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCc2cccc(N)c2)C[NH2+]1 ZINC001246346439 987757865 /nfs/dbraw/zinc/75/78/65/987757865.db2.gz FEADBFSJVKVUCP-FZMZJTMJSA-N 2 1 233.359 1.541 20 0 BDADMP c1ccc2c(c1)NC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246355555 987762714 /nfs/dbraw/zinc/76/27/14/987762714.db2.gz JHPNZTFDDFECDS-ZDUSSCGKSA-N 2 1 217.316 1.495 20 0 BDADMP Fc1ccc(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001246355192 987762937 /nfs/dbraw/zinc/76/29/37/987762937.db2.gz XLLMIYAJBDWMID-UHFFFAOYSA-N 2 1 209.268 1.062 20 0 BDADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246355683 987763755 /nfs/dbraw/zinc/76/37/55/987763755.db2.gz ZJVYEJVPRSTPCN-YPMHNXCESA-N 2 1 234.343 1.665 20 0 BDADMP C[C@H]1CC[C@H](N[C@H]2CC[N@H+](C3CCC3)C2)C[NH2+]1 ZINC001246359449 987768604 /nfs/dbraw/zinc/76/86/04/987768604.db2.gz BPNIRWHXPYTQOT-AVGNSLFASA-N 2 1 237.391 1.343 20 0 BDADMP c1nc2c(s1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246361070 987769629 /nfs/dbraw/zinc/76/96/29/987769629.db2.gz YSCRLXMUPPFSQN-VHSXEESVSA-N 2 1 237.372 1.342 20 0 BDADMP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC001246371162 987771382 /nfs/dbraw/zinc/77/13/82/987771382.db2.gz HZLHYUVVIJMXTI-VXGBXAGGSA-N 2 1 226.364 1.533 20 0 BDADMP CC1(C)C[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)CCO1 ZINC001246370522 987771850 /nfs/dbraw/zinc/77/18/50/987771850.db2.gz HZLHYUVVIJMXTI-RYUDHWBXSA-N 2 1 226.364 1.533 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)CC2CN(C)C2)CC1 ZINC001474617849 987780713 /nfs/dbraw/zinc/78/07/13/987780713.db2.gz PQGUPQDWKWQNRE-UHFFFAOYSA-N 2 1 239.407 1.212 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001246401477 987782957 /nfs/dbraw/zinc/78/29/57/987782957.db2.gz LNFZSBLKRQWGDC-WOPDTQHZSA-N 2 1 242.363 1.435 20 0 BDADMP CCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246402643 987783879 /nfs/dbraw/zinc/78/38/79/987783879.db2.gz XSVLCGYPTRFNGJ-QWRGUYRKSA-N 2 1 230.352 1.435 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001246401475 987784359 /nfs/dbraw/zinc/78/43/59/987784359.db2.gz LNFZSBLKRQWGDC-UTUOFQBUSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(CCF)c2)CC[NH2+]1 ZINC001246429711 987795523 /nfs/dbraw/zinc/79/55/23/987795523.db2.gz VEMIVAHZTJWFNT-ZYHUDNBSSA-N 2 1 240.326 1.083 20 0 BDADMP COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246443228 987801655 /nfs/dbraw/zinc/80/16/55/987801655.db2.gz MLFHYULGZIYTQX-WOPDTQHZSA-N 2 1 240.347 1.060 20 0 BDADMP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC13C[NH2+]C3)CS2 ZINC001246444258 987802465 /nfs/dbraw/zinc/80/24/65/987802465.db2.gz JLGAHZYKBKGPPC-AAEUAGOBSA-N 2 1 246.379 1.655 20 0 BDADMP C[C@@H]1CC[C@@H](NC2C[NH+](C(C)(C)C)C2)C[NH2+]1 ZINC001246446225 987806632 /nfs/dbraw/zinc/80/66/32/987806632.db2.gz LCMVXJAPJJDFGI-GHMZBOCLSA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)OCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246454941 987809326 /nfs/dbraw/zinc/80/93/26/987809326.db2.gz VJUBEEPRYXWMCT-CYBMUJFWSA-N 3 1 245.411 1.108 20 0 BDADMP CCC[C@@]1(C[NH2+]C2CCC([NH2+]C)CC2)CCN1 ZINC001246454249 987810139 /nfs/dbraw/zinc/81/01/39/987810139.db2.gz BOMUSZUSXBTOIU-RUXDESIVSA-N 2 1 239.407 1.639 20 0 BDADMP Cc1nc(C)c(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)o1 ZINC001474735506 987813884 /nfs/dbraw/zinc/81/38/84/987813884.db2.gz RRJKTILAYMLAEA-ZDUSSCGKSA-N 2 1 249.358 1.723 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CNc3ccccc32)C[NH2+]1 ZINC001246472595 987829457 /nfs/dbraw/zinc/82/94/57/987829457.db2.gz HCFALZWURIUIQG-JHJVBQTASA-N 2 1 245.370 1.926 20 0 BDADMP c1ccc2c(c1)NC[C@@H]2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246475590 987831687 /nfs/dbraw/zinc/83/16/87/987831687.db2.gz UZHBGTMDGOHLPD-NWDGAFQWSA-N 2 1 231.343 1.537 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246478449 987838072 /nfs/dbraw/zinc/83/80/72/987838072.db2.gz NSYGAFPYNGIWNB-OCCSQVGLSA-N 2 1 248.370 1.968 20 0 BDADMP C([NH2+]C1CCCCCCC1)[C@H]1C[NH2+]CCN1 ZINC001246486753 987843622 /nfs/dbraw/zinc/84/36/22/987843622.db2.gz FGDDGBYWVFUXIX-CYBMUJFWSA-N 2 1 225.380 1.250 20 0 BDADMP CC(C)CC(CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246489283 987844868 /nfs/dbraw/zinc/84/48/68/987844868.db2.gz MVACMEADEXCDLG-AWEZNQCLSA-N 2 1 241.423 1.598 20 0 BDADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2)cc1 ZINC001246486227 987845152 /nfs/dbraw/zinc/84/51/52/987845152.db2.gz DQEGZDGFXMEVRV-UKRRQHHQSA-N 2 1 247.386 1.077 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246501707 987856074 /nfs/dbraw/zinc/85/60/74/987856074.db2.gz CCYAZBQQDHXSKY-DGCLKSJQSA-N 3 1 237.391 1.249 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508730 987862880 /nfs/dbraw/zinc/86/28/80/987862880.db2.gz YLVKQEVWCVXEAN-HUUCEWRRSA-N 2 1 247.386 1.760 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@]2(C)CCCOC2)C[NH2+]1 ZINC001246514054 987863072 /nfs/dbraw/zinc/86/30/72/987863072.db2.gz ZTPREVAEFLQEPT-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP [NH3+]C[C@@H](N[C@H]1CCC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246507455 987863639 /nfs/dbraw/zinc/86/36/39/987863639.db2.gz PMXWEEZFPXYGLU-UONOGXRCSA-N 2 1 245.370 1.418 20 0 BDADMP CC(C)[N@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@@H](C)C1 ZINC001246516456 987866048 /nfs/dbraw/zinc/86/60/48/987866048.db2.gz UCQHFWWUUMKUKF-JSGCOSHPSA-N 2 1 239.407 1.447 20 0 BDADMP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H](C)C1 ZINC001246516456 987866052 /nfs/dbraw/zinc/86/60/52/987866052.db2.gz UCQHFWWUUMKUKF-JSGCOSHPSA-N 3 1 239.407 1.447 20 0 BDADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H](C)C1 ZINC001246516456 987866055 /nfs/dbraw/zinc/86/60/55/987866055.db2.gz UCQHFWWUUMKUKF-JSGCOSHPSA-N 3 1 239.407 1.447 20 0 BDADMP N[C@@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535040 987894637 /nfs/dbraw/zinc/89/46/37/987894637.db2.gz UZGZGYUIIVYCBU-MGPQQGTHSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535040 987894641 /nfs/dbraw/zinc/89/46/41/987894641.db2.gz UZGZGYUIIVYCBU-MGPQQGTHSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535040 987894644 /nfs/dbraw/zinc/89/46/44/987894644.db2.gz UZGZGYUIIVYCBU-MGPQQGTHSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535039 987895650 /nfs/dbraw/zinc/89/56/50/987895650.db2.gz UZGZGYUIIVYCBU-MCIONIFRSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535039 987895656 /nfs/dbraw/zinc/89/56/56/987895656.db2.gz UZGZGYUIIVYCBU-MCIONIFRSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC12CC2 ZINC001246535039 987895659 /nfs/dbraw/zinc/89/56/59/987895659.db2.gz UZGZGYUIIVYCBU-MCIONIFRSA-N 3 1 249.402 1.332 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539964 987906080 /nfs/dbraw/zinc/90/60/80/987906080.db2.gz JEJPJSNORWVFOW-FQUUOJAGSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246539964 987906084 /nfs/dbraw/zinc/90/60/84/987906084.db2.gz JEJPJSNORWVFOW-FQUUOJAGSA-N 3 1 237.391 1.473 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540115 987906283 /nfs/dbraw/zinc/90/62/83/987906283.db2.gz FOFMFTPCMRAPPR-RYUDHWBXSA-N 3 1 225.380 1.330 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246540115 987906288 /nfs/dbraw/zinc/90/62/88/987906288.db2.gz FOFMFTPCMRAPPR-RYUDHWBXSA-N 3 1 225.380 1.330 20 0 BDADMP C[NH2+]C1CCC([N@H+]2[C@@H](C)CC[C@H]2CN)CC1 ZINC001246541601 987914061 /nfs/dbraw/zinc/91/40/61/987914061.db2.gz ZCXUDXIXZWVWGE-WTIISPKJSA-N 2 1 225.380 1.329 20 0 BDADMP CCCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246544206 987920960 /nfs/dbraw/zinc/92/09/60/987920960.db2.gz PMPFLUVEYDFWBS-CHWSQXEVSA-N 2 1 228.380 1.741 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546835 987924719 /nfs/dbraw/zinc/92/47/19/987924719.db2.gz ATXGFRVJFFJRQU-KBPBESRZSA-N 2 1 239.407 1.674 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546835 987924730 /nfs/dbraw/zinc/92/47/30/987924730.db2.gz ATXGFRVJFFJRQU-KBPBESRZSA-N 3 1 239.407 1.674 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546835 987924740 /nfs/dbraw/zinc/92/47/40/987924740.db2.gz ATXGFRVJFFJRQU-KBPBESRZSA-N 3 1 239.407 1.674 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546835 987924744 /nfs/dbraw/zinc/92/47/44/987924744.db2.gz ATXGFRVJFFJRQU-KBPBESRZSA-N 3 1 239.407 1.674 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246546835 987924757 /nfs/dbraw/zinc/92/47/57/987924757.db2.gz ATXGFRVJFFJRQU-KBPBESRZSA-N 3 1 239.407 1.674 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246548389 987934629 /nfs/dbraw/zinc/93/46/29/987934629.db2.gz TVLOEZJUKZTTEZ-IJLUTSLNSA-N 2 1 212.337 1.367 20 0 BDADMP COC(=O)CC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246549401 987936775 /nfs/dbraw/zinc/93/67/75/987936775.db2.gz XCNNXYJSHYHUGG-AXFHLTTASA-N 2 1 228.336 1.140 20 0 BDADMP COC(=O)CC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246549401 987936787 /nfs/dbraw/zinc/93/67/87/987936787.db2.gz XCNNXYJSHYHUGG-AXFHLTTASA-N 2 1 228.336 1.140 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547939 987936810 /nfs/dbraw/zinc/93/68/10/987936810.db2.gz DKHKXOGJPVOBOT-CRWXNKLISA-N 3 1 237.391 1.473 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547939 987936823 /nfs/dbraw/zinc/93/68/23/987936823.db2.gz DKHKXOGJPVOBOT-CRWXNKLISA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCCOC2)CC1 ZINC001246553554 987960774 /nfs/dbraw/zinc/96/07/74/987960774.db2.gz ZEXXAMVPMMSAAX-NEPJUHHUSA-N 2 1 230.327 1.318 20 0 BDADMP CCC[C@H](CC)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246556737 987965510 /nfs/dbraw/zinc/96/55/10/987965510.db2.gz FYRPZBBGMFTWRX-QWHCGFSZSA-N 2 1 228.380 1.741 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246556000 987966965 /nfs/dbraw/zinc/96/69/65/987966965.db2.gz YDRMPDZHZMXFQI-OLZOCXBDSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246555361 987970764 /nfs/dbraw/zinc/97/07/64/987970764.db2.gz DUEHSHMGSRWCKP-XJFOESAGSA-N 2 1 240.391 1.861 20 0 BDADMP CCN1CC[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)C1 ZINC001246560102 987984416 /nfs/dbraw/zinc/98/44/16/987984416.db2.gz PONYWERFHWPMQD-MCIONIFRSA-N 2 1 239.407 1.387 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246562092 987999381 /nfs/dbraw/zinc/99/93/81/987999381.db2.gz VSTJBYJDNWPFCD-RYUDHWBXSA-N 3 1 231.359 1.137 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@]1(C)O ZINC001246563507 988001610 /nfs/dbraw/zinc/00/16/10/988001610.db2.gz KDZALIZDBDKMON-YIPFDTCYSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCOC2)CCC[C@@H]1C[NH3+] ZINC001246563057 988004814 /nfs/dbraw/zinc/00/48/14/988004814.db2.gz CAPJDRAFAIYQAM-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC[C@@H]1C[NH3+] ZINC001246562444 988005362 /nfs/dbraw/zinc/00/53/62/988005362.db2.gz MWQYSBXKPAQZQO-ARJVPZMDSA-N 3 1 249.402 1.352 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CC[NH2+]1 ZINC001246563932 988014947 /nfs/dbraw/zinc/01/49/47/988014947.db2.gz YHIVVAFXSXOVBQ-RFQIPJPRSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563921 988015771 /nfs/dbraw/zinc/01/57/71/988015771.db2.gz YHIVVAFXSXOVBQ-MQYQWHSLSA-N 2 1 239.407 1.434 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC001118118009 988020738 /nfs/dbraw/zinc/02/07/38/988020738.db2.gz CEFBWRLHYBZDGH-HZSPNIEDSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC001118118009 988020749 /nfs/dbraw/zinc/02/07/49/988020749.db2.gz CEFBWRLHYBZDGH-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC001118118009 988020761 /nfs/dbraw/zinc/02/07/61/988020761.db2.gz CEFBWRLHYBZDGH-HZSPNIEDSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1F ZINC001246566667 988026657 /nfs/dbraw/zinc/02/66/57/988026657.db2.gz TYSLIDCUIQGFQB-DBIOUOCHSA-N 2 1 200.301 1.417 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1F ZINC001246566667 988026672 /nfs/dbraw/zinc/02/66/72/988026672.db2.gz TYSLIDCUIQGFQB-DBIOUOCHSA-N 2 1 200.301 1.417 20 0 BDADMP CC[N@H+]1CC[C@H](N2C[C@H](C)CC[C@@H]2C[NH3+])C1 ZINC001246566750 988029378 /nfs/dbraw/zinc/02/93/78/988029378.db2.gz IMMKSQYGPWZRGX-UPJWGTAASA-N 2 1 225.380 1.140 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CC[C@H](C)[NH2+]C)cn1 ZINC001118122093 988029612 /nfs/dbraw/zinc/02/96/12/988029612.db2.gz OPTSYCBXPIYMSX-QWRGUYRKSA-N 2 1 224.352 1.552 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC001246566052 988032752 /nfs/dbraw/zinc/03/27/52/988032752.db2.gz HDCKNAXGDOTXMR-GRYCIOLGSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC001246566052 988032765 /nfs/dbraw/zinc/03/27/65/988032765.db2.gz HDCKNAXGDOTXMR-GRYCIOLGSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1C[N@H+](C2CCN(C)CC2)CCC[C@@H]1C[NH3+] ZINC001246569682 988054469 /nfs/dbraw/zinc/05/44/69/988054469.db2.gz RVCLFHKNEKGQDS-CHWSQXEVSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@@H]1C[NH3+] ZINC001246569682 988054482 /nfs/dbraw/zinc/05/44/82/988054482.db2.gz RVCLFHKNEKGQDS-CHWSQXEVSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@@H]1C[NH3+] ZINC001246569682 988054494 /nfs/dbraw/zinc/05/44/94/988054494.db2.gz RVCLFHKNEKGQDS-CHWSQXEVSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](O)[C@H](C)C2)CC[NH2+]1 ZINC001246571267 988061345 /nfs/dbraw/zinc/06/13/45/988061345.db2.gz ASHPNBXEESDEFI-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246572007 988063486 /nfs/dbraw/zinc/06/34/86/988063486.db2.gz SZOWMHOZGKNKLM-SRVKXCTJSA-N 2 1 232.343 1.563 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246572007 988063502 /nfs/dbraw/zinc/06/35/02/988063502.db2.gz SZOWMHOZGKNKLM-SRVKXCTJSA-N 2 1 232.343 1.563 20 0 BDADMP C[C@@H](c1nc([C@H]([NH3+])c2ccccc2)no1)[C@H](C)[NH3+] ZINC001118171857 988069823 /nfs/dbraw/zinc/06/98/23/988069823.db2.gz HWIMVPRTVXVZIJ-WCABBAIRSA-N 2 1 246.314 1.568 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+]([C@@H]2CCCNC2)CC1 ZINC001246574049 988073403 /nfs/dbraw/zinc/07/34/03/988073403.db2.gz IBHNRBOYZOBWCD-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CCCNC2)CC1 ZINC001246574049 988073416 /nfs/dbraw/zinc/07/34/16/988073416.db2.gz IBHNRBOYZOBWCD-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP CN1CCC[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246576640 988077784 /nfs/dbraw/zinc/07/77/84/988077784.db2.gz MDNKOGGKLONKPD-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP O[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246574832 988077927 /nfs/dbraw/zinc/07/79/27/988077927.db2.gz LCOFCLGNVKERDW-HNGCFSAESA-N 2 1 224.348 1.116 20 0 BDADMP C[C@@]1(CF)CC[N@@H+]([C@H]2CCC[NH2+]C2)C1 ZINC001246576619 988085017 /nfs/dbraw/zinc/08/50/17/988085017.db2.gz LVINYFZXCCYERD-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@]1(CF)CC[N@H+]([C@H]2CCC[NH2+]C2)C1 ZINC001246576619 988085027 /nfs/dbraw/zinc/08/50/27/988085027.db2.gz LVINYFZXCCYERD-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246579272 988098429 /nfs/dbraw/zinc/09/84/29/988098429.db2.gz UAQNBBQHRXTQQA-IHRRRGAJSA-N 3 1 239.407 1.578 20 0 BDADMP COC(=O)CC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246581978 988107689 /nfs/dbraw/zinc/10/76/89/988107689.db2.gz LTLJAXORMFMKDI-VXGBXAGGSA-N 2 1 242.363 1.389 20 0 BDADMP CC(C)CCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581224 988109485 /nfs/dbraw/zinc/10/94/85/988109485.db2.gz ROHJQCLRVVRJRT-RWMBFGLXSA-N 2 1 228.380 1.453 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246581810 988113929 /nfs/dbraw/zinc/11/39/29/988113929.db2.gz AWYDUGSFPZHHNA-OLZOCXBDSA-N 3 1 227.396 1.435 20 0 BDADMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246581810 988113935 /nfs/dbraw/zinc/11/39/35/988113935.db2.gz AWYDUGSFPZHHNA-OLZOCXBDSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C[C@H]1C ZINC001246583837 988127108 /nfs/dbraw/zinc/12/71/08/988127108.db2.gz LBKOUFCQXWAAIJ-LBELIVKGSA-N 2 1 226.364 1.063 20 0 BDADMP CCC1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246587606 988141632 /nfs/dbraw/zinc/14/16/32/988141632.db2.gz VDURRWJFGYBKBL-PYNQCMFNSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC(C)(C)C1 ZINC001246586561 988142055 /nfs/dbraw/zinc/14/20/55/988142055.db2.gz RGSBJDUSWQZTGG-WUHRBBMRSA-N 2 1 240.391 1.453 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](F)(CO)CC2)CC[NH2+]1 ZINC001246587712 988142470 /nfs/dbraw/zinc/14/24/70/988142470.db2.gz IMNLFICENMEXTP-UPJWGTAASA-N 2 1 244.354 1.313 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(C)(C[NH3+])C1)C2 ZINC001246589926 988168279 /nfs/dbraw/zinc/16/82/79/988168279.db2.gz PTJKOPUOKQIXLI-ITGUQSILSA-N 2 1 237.391 1.282 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@](C)(O)C2)CC[NH2+]1 ZINC001246593022 988178465 /nfs/dbraw/zinc/17/84/65/988178465.db2.gz RJPDQIQJFHSFCG-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246598338 988199509 /nfs/dbraw/zinc/19/95/09/988199509.db2.gz AIVHUCKXLITPKH-OLZOCXBDSA-N 2 1 237.391 1.202 20 0 BDADMP CC[C@H](CC(C)C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246627498 988295761 /nfs/dbraw/zinc/29/57/61/988295761.db2.gz KHDCHQBCTDVIFD-ZIAGYGMSSA-N 2 1 239.407 1.448 20 0 BDADMP C1CC12CCC(N1CC[NH2+]C[C@@]13CC[NH2+]C3)CC2 ZINC001246627246 988300467 /nfs/dbraw/zinc/30/04/67/988300467.db2.gz UNZNGTZQMDQUDP-HNNXBMFYSA-N 2 1 249.402 1.347 20 0 BDADMP OCC[C@H]1CC12CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246632153 988318335 /nfs/dbraw/zinc/31/83/35/988318335.db2.gz ZJXYWUJELIKJSQ-STQMWFEESA-N 2 1 238.375 1.223 20 0 BDADMP O=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246633192 988322120 /nfs/dbraw/zinc/32/21/20/988322120.db2.gz JZEZHNABPFZTOE-TXFQPVFDSA-N 2 1 234.343 1.180 20 0 BDADMP O=C1C[C@@H]2CC([N@H+]3CC[C@@H]4[NH2+]CC[C@H]43)C[C@H]2C1 ZINC001246633192 988322139 /nfs/dbraw/zinc/32/21/39/988322139.db2.gz JZEZHNABPFZTOE-TXFQPVFDSA-N 2 1 234.343 1.180 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246637538 988326668 /nfs/dbraw/zinc/32/66/68/988326668.db2.gz YKOAAXXRYVQURV-FVCCEPFGSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C[NH2+]1 ZINC001246637538 988326682 /nfs/dbraw/zinc/32/66/82/988326682.db2.gz YKOAAXXRYVQURV-FVCCEPFGSA-N 2 1 224.348 1.095 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246640372 988342750 /nfs/dbraw/zinc/34/27/50/988342750.db2.gz TXSNCEUPALNLGU-XVIXHAIJSA-N 2 1 235.375 1.048 20 0 BDADMP C1C[C@@H]2[C@@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)O3)[NH2+]1 ZINC001246641858 988352168 /nfs/dbraw/zinc/35/21/68/988352168.db2.gz YOVCHTREFHMLEA-ZLOUSURVSA-N 2 1 222.332 1.133 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCOC3)C2)CC[NH2+]1 ZINC001246645506 988366256 /nfs/dbraw/zinc/36/62/56/988366256.db2.gz BSJWYXHYNVWVKC-MCIONIFRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC[NH2+]1 ZINC001246667837 988409985 /nfs/dbraw/zinc/40/99/85/988409985.db2.gz VXSNNRSPFFIRAA-LOWDOPEQSA-N 2 1 224.348 1.238 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246667174 988411662 /nfs/dbraw/zinc/41/16/62/988411662.db2.gz YBSKBUWEFQOCLM-COEJNUGVSA-N 3 1 237.391 1.185 20 0 BDADMP C[C@H]1CC[C@H]([N@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246679780 988428575 /nfs/dbraw/zinc/42/85/75/988428575.db2.gz XTCWBWNPDYXGQW-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CN1 ZINC001246679780 988428580 /nfs/dbraw/zinc/42/85/80/988428580.db2.gz XTCWBWNPDYXGQW-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)CC[C@H]2O1 ZINC001246696763 988444050 /nfs/dbraw/zinc/44/40/50/988444050.db2.gz RIDFXONPITXUFW-MBJXGIAVSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)CC[C@H]2O1 ZINC001246696763 988444056 /nfs/dbraw/zinc/44/40/56/988444056.db2.gz RIDFXONPITXUFW-MBJXGIAVSA-N 2 1 238.375 1.626 20 0 BDADMP CCCC[N@@H+](CCC)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246776703 988452606 /nfs/dbraw/zinc/45/26/06/988452606.db2.gz LPJBHGXATZNCAL-ZDUSSCGKSA-N 2 1 239.407 1.593 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246781040 988461709 /nfs/dbraw/zinc/46/17/09/988461709.db2.gz MVRXRXMXPVZYHK-AAEUAGOBSA-N 3 1 225.380 1.058 20 0 BDADMP c1ccc(C[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)nc1 ZINC001246802099 988483523 /nfs/dbraw/zinc/48/35/23/988483523.db2.gz JFVTVZAIHPCIFO-OAHLLOKOSA-N 2 1 245.370 1.841 20 0 BDADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCC3(CCCC3)C1)CCN2 ZINC001246809002 988488868 /nfs/dbraw/zinc/48/88/68/988488868.db2.gz WDYWTULAWXZWSK-ZDUSSCGKSA-N 2 1 249.402 1.347 20 0 BDADMP C[C@H]1C[C@H]([NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC001246828375 988516300 /nfs/dbraw/zinc/51/63/00/988516300.db2.gz AVZVXHHOFVFGKI-FIQHERPVSA-N 2 1 212.337 1.236 20 0 BDADMP C[C@@H]1CC[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@@H]32)C[NH2+]1 ZINC001246830985 988523490 /nfs/dbraw/zinc/52/34/90/988523490.db2.gz JMZQMECMLZZUIJ-RFGFWPKPSA-N 2 1 237.391 1.153 20 0 BDADMP CC(C)[C@H]1C[C@@H]([N@@H+]2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835047 988532086 /nfs/dbraw/zinc/53/20/86/988532086.db2.gz YGJYQMFQOZOORG-MELADBBJSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC001246835047 988532090 /nfs/dbraw/zinc/53/20/90/988532090.db2.gz YGJYQMFQOZOORG-MELADBBJSA-N 3 1 239.407 1.576 20 0 BDADMP CCC(CC)[N@@H+](CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246841109 988550274 /nfs/dbraw/zinc/55/02/74/988550274.db2.gz SXPOFKFBPIDVPW-CYBMUJFWSA-N 2 1 239.407 1.591 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](C1C[C@@H]3CC(=O)C[C@H]3C1)C2 ZINC001246864930 988615627 /nfs/dbraw/zinc/61/56/27/988615627.db2.gz WVWWNKDGXQJQJU-BIAAXOCRSA-N 2 1 234.343 1.167 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1C[C@@H]3CC(=O)C[C@H]3C1)C2 ZINC001246864930 988615642 /nfs/dbraw/zinc/61/56/42/988615642.db2.gz WVWWNKDGXQJQJU-BIAAXOCRSA-N 2 1 234.343 1.167 20 0 BDADMP C1CC([NH+]2CC3CCC(CC3)C2)CC[NH2+]1 ZINC001246884629 988656853 /nfs/dbraw/zinc/65/68/53/988656853.db2.gz UBTGBUPLCQBKHR-UHFFFAOYSA-N 2 1 208.349 1.860 20 0 BDADMP CCCC[C@H]1C[C@@H]([N@@H+](C)CCCC[NH3+])CC[NH2+]1 ZINC001246890654 988658410 /nfs/dbraw/zinc/65/84/10/988658410.db2.gz KOJBIFPXMJDURB-KBPBESRZSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[NH2+]1 ZINC001246890888 988660775 /nfs/dbraw/zinc/66/07/75/988660775.db2.gz AOGPSEAJOWDDJY-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC[NH2+]1 ZINC001246890888 988660781 /nfs/dbraw/zinc/66/07/81/988660781.db2.gz AOGPSEAJOWDDJY-YIYPIFLZSA-N 3 1 237.391 1.010 20 0 BDADMP C1CC1[C@H]1COCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246895579 988671799 /nfs/dbraw/zinc/67/17/99/988671799.db2.gz UZWNGNOIVCZLDM-QNMSZWNNSA-N 2 1 236.359 1.380 20 0 BDADMP C1CC1[C@H]1COCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246895579 988671807 /nfs/dbraw/zinc/67/18/07/988671807.db2.gz UZWNGNOIVCZLDM-QNMSZWNNSA-N 2 1 236.359 1.380 20 0 BDADMP C[C@@H]1CC[C@@H](N2CC[C@H]([N@@H+](C)C3CC3)C2)C[NH2+]1 ZINC001246905861 988678402 /nfs/dbraw/zinc/67/84/02/988678402.db2.gz AKWUPPDFJQJKKN-BNOWGMLFSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCc2ccc(N)cc2C1 ZINC001246904412 988684707 /nfs/dbraw/zinc/68/47/07/988684707.db2.gz FZSNNFPEBIKFRA-NSHDSACASA-N 2 1 233.359 1.625 20 0 BDADMP C[N@@H+](CCO)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246910707 988689511 /nfs/dbraw/zinc/68/95/11/988689511.db2.gz CPIFDXHOOUWNAW-MNOVXSKESA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[C@@H](N2CC[C@H]([N@@H+](C)C3CC3)C2)CC[NH2+]1 ZINC001246910127 988690057 /nfs/dbraw/zinc/69/00/57/988690057.db2.gz KNDPNGYDPIATKX-XBFCOCLRSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+](CCO)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246912371 988693354 /nfs/dbraw/zinc/69/33/54/988693354.db2.gz KZGZPXVFESOCKI-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2C[NH3+])C1 ZINC001246913073 988698094 /nfs/dbraw/zinc/69/80/94/988698094.db2.gz JSXZIHJWAMCNJO-SDDRHHMPSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2CCC[C@@H]2C[NH3+])C1 ZINC001246913073 988698100 /nfs/dbraw/zinc/69/81/00/988698100.db2.gz JSXZIHJWAMCNJO-SDDRHHMPSA-N 2 1 240.347 1.141 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913782 988703567 /nfs/dbraw/zinc/70/35/67/988703567.db2.gz MTEVWCZHBGQPLJ-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913782 988703573 /nfs/dbraw/zinc/70/35/73/988703573.db2.gz MTEVWCZHBGQPLJ-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP CC[N@@H+](CCn1ccnc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246917493 988714582 /nfs/dbraw/zinc/71/45/82/988714582.db2.gz DFHBZHXNUOZRIU-OLZOCXBDSA-N 2 1 236.363 1.346 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246918058 988716425 /nfs/dbraw/zinc/71/64/25/988716425.db2.gz TXBVFHLPVSMXBP-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246918058 988716431 /nfs/dbraw/zinc/71/64/31/988716431.db2.gz TXBVFHLPVSMXBP-CHWSQXEVSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC001246919476 988730030 /nfs/dbraw/zinc/73/00/30/988730030.db2.gz NINLNVKXPLGNEA-BNDIWNMDSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC001246919476 988730039 /nfs/dbraw/zinc/73/00/39/988730039.db2.gz NINLNVKXPLGNEA-BNDIWNMDSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)C1 ZINC001246923701 988735501 /nfs/dbraw/zinc/73/55/01/988735501.db2.gz YWJLTHPTNRDZIU-OFTGVCEQSA-N 2 1 208.349 1.715 20 0 BDADMP C1[NH2+][C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924876 988755200 /nfs/dbraw/zinc/75/52/00/988755200.db2.gz NGQAZGBOQDMQQZ-TZMCWYRMSA-N 3 1 249.402 1.202 20 0 BDADMP C1N[C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924876 988755217 /nfs/dbraw/zinc/75/52/17/988755217.db2.gz NGQAZGBOQDMQQZ-TZMCWYRMSA-N 2 1 249.402 1.202 20 0 BDADMP C1N[C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924876 988755231 /nfs/dbraw/zinc/75/52/31/988755231.db2.gz NGQAZGBOQDMQQZ-TZMCWYRMSA-N 2 1 249.402 1.202 20 0 BDADMP C1[NH2+][C@@H]2CN(C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC001246924876 988755264 /nfs/dbraw/zinc/75/52/64/988755264.db2.gz NGQAZGBOQDMQQZ-TZMCWYRMSA-N 2 1 249.402 1.202 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCO1 ZINC001246929319 988755799 /nfs/dbraw/zinc/75/57/99/988755799.db2.gz DVBKNXOADZPWHR-IGQOVBAYSA-N 2 1 238.375 1.485 20 0 BDADMP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246933084 988762158 /nfs/dbraw/zinc/76/21/58/988762158.db2.gz PQBCXNBZCDPNKI-HZSPNIEDSA-N 2 1 237.391 1.012 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCc3c(N)cccc3C2)CC[NH2+]1 ZINC001246936673 988771136 /nfs/dbraw/zinc/77/11/36/988771136.db2.gz XJRZNCUQVJORQF-DGCLKSJQSA-N 2 1 245.370 1.767 20 0 BDADMP CC[C@H]([NH3+])CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246981902 988810550 /nfs/dbraw/zinc/81/05/50/988810550.db2.gz UFZAGCUPZDLLSM-IGQOVBAYSA-N 2 1 239.407 1.671 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246981482 988812042 /nfs/dbraw/zinc/81/20/42/988812042.db2.gz WYJYSUABUMRQQP-RRIFHVCJSA-N 2 1 249.402 1.153 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246981482 988812045 /nfs/dbraw/zinc/81/20/45/988812045.db2.gz WYJYSUABUMRQQP-RRIFHVCJSA-N 2 1 249.402 1.153 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246981482 988812051 /nfs/dbraw/zinc/81/20/51/988812051.db2.gz WYJYSUABUMRQQP-RRIFHVCJSA-N 2 1 249.402 1.153 20 0 BDADMP CC[N@H+]1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C1 ZINC001246981482 988812054 /nfs/dbraw/zinc/81/20/54/988812054.db2.gz WYJYSUABUMRQQP-RRIFHVCJSA-N 2 1 249.402 1.153 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C1 ZINC001246981482 988812059 /nfs/dbraw/zinc/81/20/59/988812059.db2.gz WYJYSUABUMRQQP-RRIFHVCJSA-N 2 1 249.402 1.153 20 0 BDADMP CCN1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246981482 988812069 /nfs/dbraw/zinc/81/20/69/988812069.db2.gz WYJYSUABUMRQQP-RRIFHVCJSA-N 2 1 249.402 1.153 20 0 BDADMP CCN1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246981482 988812074 /nfs/dbraw/zinc/81/20/74/988812074.db2.gz WYJYSUABUMRQQP-RRIFHVCJSA-N 2 1 249.402 1.153 20 0 BDADMP [NH3+][C@H]1CCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001247002912 988835769 /nfs/dbraw/zinc/83/57/69/988835769.db2.gz QWQFUNRBMBDTKQ-PIGZVRMJSA-N 3 1 249.402 1.473 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001247004183 988836289 /nfs/dbraw/zinc/83/62/89/988836289.db2.gz PMECSPMAZLJLAE-USWWRNFRSA-N 2 1 210.321 1.180 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001247004183 988836295 /nfs/dbraw/zinc/83/62/95/988836295.db2.gz PMECSPMAZLJLAE-USWWRNFRSA-N 2 1 210.321 1.180 20 0 BDADMP CC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001247004184 988836966 /nfs/dbraw/zinc/83/69/66/988836966.db2.gz PMECSPMAZLJLAE-WCQGTBRESA-N 2 1 210.321 1.180 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001247004184 988836967 /nfs/dbraw/zinc/83/69/67/988836967.db2.gz PMECSPMAZLJLAE-WCQGTBRESA-N 2 1 210.321 1.180 20 0 BDADMP Cc1cccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)n1 ZINC001247507508 988907331 /nfs/dbraw/zinc/90/73/31/988907331.db2.gz LCDONVSZDNNZEC-SECBINFHSA-N 2 1 247.302 1.179 20 0 BDADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)nc1 ZINC001247507561 988908017 /nfs/dbraw/zinc/90/80/17/988908017.db2.gz LJXJYTPPKUYKTO-VIFPVBQESA-N 2 1 247.302 1.179 20 0 BDADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC001247702357 988989840 /nfs/dbraw/zinc/98/98/40/988989840.db2.gz VWYPEKPJEYKKDV-SECBINFHSA-N 2 1 247.302 1.260 20 0 BDADMP c1ccc2ncc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2c1 ZINC001325319078 989156794 /nfs/dbraw/zinc/15/67/94/989156794.db2.gz JWPMJUBBNRINRC-NHAGDIPZSA-N 2 1 239.322 1.542 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cn(C)nc1C ZINC001325744906 989247769 /nfs/dbraw/zinc/24/77/69/989247769.db2.gz WPWJIBOHQHZWNW-ZJUUUORDSA-N 2 1 224.352 1.377 20 0 BDADMP CCOc1cccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001325755521 989253395 /nfs/dbraw/zinc/25/33/95/989253395.db2.gz AUZXRDIBURAHRY-RABLLNBGSA-N 2 1 246.354 1.954 20 0 BDADMP FCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326311252 989480118 /nfs/dbraw/zinc/48/01/18/989480118.db2.gz SRLONWMDLCUXQW-UHFFFAOYSA-N 2 1 200.301 1.422 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNc2cc[nH+]c(C)c2)C1 ZINC001120007010 989560497 /nfs/dbraw/zinc/56/04/97/989560497.db2.gz FAZMUTIFCHSJFC-ZDUSSCGKSA-N 2 1 233.359 1.956 20 0 BDADMP CC[C@H](O)C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001120503596 989685487 /nfs/dbraw/zinc/68/54/87/989685487.db2.gz URCZBYGNCJEFPK-LBPRGKRZSA-N 2 1 216.369 1.325 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001120612160 989790937 /nfs/dbraw/zinc/79/09/37/989790937.db2.gz WLTJVEXYACSFRG-RMTQGBGSSA-N 2 1 238.375 1.076 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001120612160 989790948 /nfs/dbraw/zinc/79/09/48/989790948.db2.gz WLTJVEXYACSFRG-RMTQGBGSSA-N 2 1 238.375 1.076 20 0 BDADMP c1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc[nH+]1 ZINC001120784777 989880207 /nfs/dbraw/zinc/88/02/07/989880207.db2.gz UWRLELQKNJZERN-UONOGXRCSA-N 2 1 231.343 1.932 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc(N)ncn1 ZINC001120818823 989899566 /nfs/dbraw/zinc/89/95/66/989899566.db2.gz ZYOPUVZWZKFQCV-LLVKDONJSA-N 2 1 249.362 1.369 20 0 BDADMP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(N)[nH+]cn1 ZINC001120818823 989899571 /nfs/dbraw/zinc/89/95/71/989899571.db2.gz ZYOPUVZWZKFQCV-LLVKDONJSA-N 2 1 249.362 1.369 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc(N)[nH+]cn1 ZINC001120818823 989899572 /nfs/dbraw/zinc/89/95/72/989899572.db2.gz ZYOPUVZWZKFQCV-LLVKDONJSA-N 2 1 249.362 1.369 20 0 BDADMP CC[NH+](CC)[C@H](C)CNc1cc(N)[nH+]cn1 ZINC001120842099 989918327 /nfs/dbraw/zinc/91/83/27/989918327.db2.gz HTHWSGDPRBDJGA-SECBINFHSA-N 2 1 223.324 1.201 20 0 BDADMP CC[N@@H+](CCNC(=O)CC(C)(C)C[NH3+])C(C)C ZINC001121916667 990125903 /nfs/dbraw/zinc/12/59/03/990125903.db2.gz GQOJIRZPTFYZSS-UHFFFAOYSA-N 2 1 243.395 1.208 20 0 BDADMP C[C@H]1CC([NH2+]CCC[N@@H+](C)CCO)C[C@H](C)C1 ZINC001258164003 991031505 /nfs/dbraw/zinc/03/15/05/991031505.db2.gz PSAHIZTYQXUCFU-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP COC(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001258350892 991283602 /nfs/dbraw/zinc/28/36/02/991283602.db2.gz DYPADLDDYYGYOV-VXGBXAGGSA-N 2 1 242.363 1.260 20 0 BDADMP CCC1(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)COC1 ZINC001202965244 991345116 /nfs/dbraw/zinc/34/51/16/991345116.db2.gz XHYZWMPMERZPPU-TZMCWYRMSA-N 2 1 238.375 1.297 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)O1 ZINC001560186509 991403595 /nfs/dbraw/zinc/40/35/95/991403595.db2.gz ILOLHMPFQCTRCF-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)O1 ZINC001560186509 991403602 /nfs/dbraw/zinc/40/36/02/991403602.db2.gz ILOLHMPFQCTRCF-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)O1 ZINC001560186509 991403606 /nfs/dbraw/zinc/40/36/06/991403606.db2.gz ILOLHMPFQCTRCF-CRWXNKLISA-N 2 1 238.375 1.437 20 0 BDADMP CCOC(=O)CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001258477026 991449633 /nfs/dbraw/zinc/44/96/33/991449633.db2.gz YUSJAOQQWVGRAX-VXGBXAGGSA-N 2 1 242.363 1.260 20 0 BDADMP CCOC(=O)CC[C@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001258475556 991451282 /nfs/dbraw/zinc/45/12/82/991451282.db2.gz IRMNQNHWBWSCSS-LBPRGKRZSA-N 2 1 244.379 1.777 20 0 BDADMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)nn1 ZINC001560495682 991488211 /nfs/dbraw/zinc/48/82/11/991488211.db2.gz IIQSMOVBHRJTFK-UHFFFAOYSA-N 2 1 248.374 1.749 20 0 BDADMP CC1(C)CC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)C1 ZINC001258596108 991495496 /nfs/dbraw/zinc/49/54/96/991495496.db2.gz SGOYICGTCFWDLU-GHMZBOCLSA-N 2 1 237.347 1.496 20 0 BDADMP C[C@@H](Cc1cccnc1)n1c[nH+]cc1CC[NH3+] ZINC001258610347 991531489 /nfs/dbraw/zinc/53/14/89/991531489.db2.gz KGUYYNPEQLZDGK-NSHDSACASA-N 2 1 230.315 1.583 20 0 BDADMP C[C@@H](Cc1cccnc1)[N@@H+](C)CCC[NH+](C)C ZINC001258622254 991550291 /nfs/dbraw/zinc/55/02/91/991550291.db2.gz JVOZBHRMMSKANN-ZDUSSCGKSA-N 2 1 235.375 1.896 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001560802752 991607959 /nfs/dbraw/zinc/60/79/59/991607959.db2.gz CUFIFCJFRJRXNE-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@H]1C[C@H]([N@H+](CC[NH3+])CCO)CC(C)(C)C1 ZINC001258686311 991617058 /nfs/dbraw/zinc/61/70/58/991617058.db2.gz BMMVSFQKKZENTN-RYUDHWBXSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](CC[NH3+])CCO)CC(C)(C)C1 ZINC001258686311 991617060 /nfs/dbraw/zinc/61/70/60/991617060.db2.gz BMMVSFQKKZENTN-RYUDHWBXSA-N 2 1 228.380 1.454 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CC2COC2)CC1 ZINC001258775371 991741276 /nfs/dbraw/zinc/74/12/76/991741276.db2.gz MNCKBQIUKCRSRL-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@]23CCOC3)CC1 ZINC001258777534 991744990 /nfs/dbraw/zinc/74/49/90/991744990.db2.gz XDXOHSDLELSVGM-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@]23CCOC3)CC1 ZINC001258777534 991745001 /nfs/dbraw/zinc/74/50/01/991745001.db2.gz XDXOHSDLELSVGM-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP C[C@@H]1CCC[C@@H]([N@H+]2CCO[C@@H](CN(C)C)C2)C1 ZINC001258820167 991842318 /nfs/dbraw/zinc/84/23/18/991842318.db2.gz VLZJVBJMPLXVAD-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1CCC[C@@H](N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC001258820167 991842320 /nfs/dbraw/zinc/84/23/20/991842320.db2.gz VLZJVBJMPLXVAD-MCIONIFRSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1N ZINC001258907158 991893728 /nfs/dbraw/zinc/89/37/28/991893728.db2.gz OHQREXBALNZZMY-HZSPNIEDSA-N 2 1 241.423 1.966 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](O)C[C@H]1C ZINC001258908640 991899197 /nfs/dbraw/zinc/89/91/97/991899197.db2.gz ZJDZUNCLSQKLAG-BFHYXJOUSA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001568308923 992159379 /nfs/dbraw/zinc/15/93/79/992159379.db2.gz HYACVEHSWOUJDW-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001261515285 992363492 /nfs/dbraw/zinc/36/34/92/992363492.db2.gz BORFXDWHWWVHNN-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP CCOC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001474756857 992519236 /nfs/dbraw/zinc/51/92/36/992519236.db2.gz MYCSBRKICAPAEC-UUFIZFKYSA-N 2 1 238.375 1.484 20 0 BDADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001573655690 992670776 /nfs/dbraw/zinc/67/07/76/992670776.db2.gz XZPRRXMPZRVLTG-IJLUTSLNSA-N 2 1 212.337 1.001 20 0 BDADMP CC[C@]1(C)CCC[N@@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001573709391 992680317 /nfs/dbraw/zinc/68/03/17/992680317.db2.gz KLTCMYJHPHUISX-KGLIPLIRSA-N 2 1 240.391 1.613 20 0 BDADMP FC1(F)[C@@H]2CC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001574227459 992824735 /nfs/dbraw/zinc/82/47/35/992824735.db2.gz HKEAKBGUADVVAJ-MMWGEVLESA-N 2 1 230.302 1.762 20 0 BDADMP C(C[N@@H+](CC1CC1)C1CCC1)N1CC[NH2+]CC1 ZINC001574774401 992898962 /nfs/dbraw/zinc/89/89/62/992898962.db2.gz MPFYNZZJLMGPEZ-UHFFFAOYSA-N 2 1 237.391 1.156 20 0 BDADMP CC(C)(C)OC(=O)CC[NH2+][C@H](C[NH3+])C1CC1 ZINC001575160186 993002071 /nfs/dbraw/zinc/00/20/71/993002071.db2.gz HDQADKKXMQWGNV-SNVBAGLBSA-N 2 1 228.336 1.045 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)[nH+]1 ZINC001262678474 993021833 /nfs/dbraw/zinc/02/18/33/993021833.db2.gz BBQZBJOSOQNQIQ-QWRGUYRKSA-N 2 1 247.346 1.406 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)[nH+]1 ZINC001262678474 993021835 /nfs/dbraw/zinc/02/18/35/993021835.db2.gz BBQZBJOSOQNQIQ-QWRGUYRKSA-N 2 1 247.346 1.406 20 0 BDADMP C[C@@H](CNc1cc[nH+]c(N)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC001262679006 993022005 /nfs/dbraw/zinc/02/20/05/993022005.db2.gz WXIVYFIIGZOGBS-MNOVXSKESA-N 2 1 249.362 1.591 20 0 BDADMP C[C@@H](CNc1cc[nH+]c(N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC001262679006 993022009 /nfs/dbraw/zinc/02/20/09/993022009.db2.gz WXIVYFIIGZOGBS-MNOVXSKESA-N 2 1 249.362 1.591 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC001575423329 993042276 /nfs/dbraw/zinc/04/22/76/993042276.db2.gz SASUGIDHIIUFRN-VXGBXAGGSA-N 2 1 228.380 1.310 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC001575473633 993052690 /nfs/dbraw/zinc/05/26/90/993052690.db2.gz VXZVVSBKMRWQTP-NEPJUHHUSA-N 2 1 216.369 1.356 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001575548881 993068128 /nfs/dbraw/zinc/06/81/28/993068128.db2.gz CIMFNGZRUPGAAA-DTWKUNHWSA-N 2 1 242.285 1.263 20 0 BDADMP CC(C)C[C@@H](CO)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001575545114 993068511 /nfs/dbraw/zinc/06/85/11/993068511.db2.gz LANVGGMNEJDYTI-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001575696439 993094687 /nfs/dbraw/zinc/09/46/87/993094687.db2.gz ASFMZYXRZJZUDG-AHPWVWPOSA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001575696441 993095666 /nfs/dbraw/zinc/09/56/66/993095666.db2.gz ASFMZYXRZJZUDG-RJZJGCCBSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H](CO)[N@H+](CC1CCC1)C[C@H]1CCC[NH2+]1 ZINC001576037503 993162619 /nfs/dbraw/zinc/16/26/19/993162619.db2.gz QSOAAWICOZVXKE-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CO)[N@@H+](CC1CCC1)C[C@H]1CCC[NH2+]1 ZINC001576037503 993162621 /nfs/dbraw/zinc/16/26/21/993162621.db2.gz QSOAAWICOZVXKE-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001576072008 993170314 /nfs/dbraw/zinc/17/03/14/993170314.db2.gz QKRDYBBNWWOGTB-UPJWGTAASA-N 2 1 234.347 1.146 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCC1(C)OCCO1 ZINC001576149949 993193051 /nfs/dbraw/zinc/19/30/51/993193051.db2.gz PSIKWHMEPXPZGR-LLVKDONJSA-N 2 1 230.352 1.199 20 0 BDADMP C[C@@H]([NH2+]C1CC2(C[C@H]2[NH3+])C1)c1csnn1 ZINC001576238939 993225424 /nfs/dbraw/zinc/22/54/24/993225424.db2.gz JJTUIPWZLGDKHC-VXTZIQIPSA-N 2 1 224.333 1.069 20 0 BDADMP C[C@H]([NH2+]C[C@@]1(C)C[NH2+]CCO1)C1CCC1 ZINC001576246170 993231780 /nfs/dbraw/zinc/23/17/80/993231780.db2.gz UONMSVJRCXDPSR-CMPLNLGQSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)N1CC(N[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000379228581 993232075 /nfs/dbraw/zinc/23/20/75/993232075.db2.gz YCEZQBIENSGRNM-GFCCVEGCSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCO1 ZINC001576250216 993234065 /nfs/dbraw/zinc/23/40/65/993234065.db2.gz CKMBSZPCKCFBOB-KZZRWZIVSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@](O)(C[NH3+])C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576260358 993238004 /nfs/dbraw/zinc/23/80/04/993238004.db2.gz UUILHKGNCJJZCU-ZUWCUPBKSA-N 2 1 238.375 1.064 20 0 BDADMP C[C@@H](O)C(C)(C)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001576267211 993241682 /nfs/dbraw/zinc/24/16/82/993241682.db2.gz WKDQTQXAVJPYFF-SFYZADRCSA-N 2 1 242.285 1.263 20 0 BDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001576273412 993251875 /nfs/dbraw/zinc/25/18/75/993251875.db2.gz VCQZCABLUQSLFG-UPJWGTAASA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1CCC(C)(O)CC1 ZINC001576545893 993339799 /nfs/dbraw/zinc/33/97/99/993339799.db2.gz UJMLKEYQLCIRBF-UHFFFAOYSA-N 2 1 200.326 1.007 20 0 BDADMP C[C@@H]1C(=O)CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC001576564618 993346250 /nfs/dbraw/zinc/34/62/50/993346250.db2.gz QUSVPNXNZXSWQM-GHMZBOCLSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@@H]1C(=O)CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC001576564618 993346257 /nfs/dbraw/zinc/34/62/57/993346257.db2.gz QUSVPNXNZXSWQM-GHMZBOCLSA-N 2 1 210.321 1.039 20 0 BDADMP CC1CC(C[N@H+]2CCC23CC[NH2+]CC3)C1 ZINC001576599511 993362794 /nfs/dbraw/zinc/36/27/94/993362794.db2.gz SFSZVNSYNQZBND-UHFFFAOYSA-N 2 1 208.349 1.860 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000381243528 993382080 /nfs/dbraw/zinc/38/20/80/993382080.db2.gz MPQBUQRLVBTQPD-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP COc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC000381345021 993387440 /nfs/dbraw/zinc/38/74/40/993387440.db2.gz LJMVNBHYFPQTJQ-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP COc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC000381345021 993387447 /nfs/dbraw/zinc/38/74/47/993387447.db2.gz LJMVNBHYFPQTJQ-GFCCVEGCSA-N 2 1 249.358 1.651 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@H]1C[NH3+] ZINC001576734690 993411528 /nfs/dbraw/zinc/41/15/28/993411528.db2.gz IMWREGDFBSVYRY-CMPLNLGQSA-N 2 1 235.331 1.204 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC001576748034 993413067 /nfs/dbraw/zinc/41/30/67/993413067.db2.gz GOQHFKRZSXXNSJ-GBIKHYSHSA-N 2 1 235.331 1.263 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CCOC(F)(F)F)CC1 ZINC000381742479 993421127 /nfs/dbraw/zinc/42/11/27/993421127.db2.gz PFGYZBOTQXBJRV-SECBINFHSA-N 2 1 240.269 1.597 20 0 BDADMP C[C@@H]1C[N@@H+](CC(=O)OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC001576800830 993426410 /nfs/dbraw/zinc/42/64/10/993426410.db2.gz MXLBUXVZYMAFCQ-GHMZBOCLSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)[C@@H](C)CN1C ZINC001576806117 993428758 /nfs/dbraw/zinc/42/87/58/993428758.db2.gz BOOMMDSWPMSUFG-ZDEQEGDKSA-N 2 1 225.380 1.138 20 0 BDADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC001576808006 993432044 /nfs/dbraw/zinc/43/20/44/993432044.db2.gz YFGFRRJINWJLGW-ZDUSSCGKSA-N 2 1 239.407 1.260 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC001576849668 993432231 /nfs/dbraw/zinc/43/22/31/993432231.db2.gz HQQGPUUYMUUGFT-ZSIRSIGDSA-N 2 1 208.349 1.619 20 0 BDADMP C[C@H]1Cc2n[nH]cc2C[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC001576861799 993438994 /nfs/dbraw/zinc/43/89/94/993438994.db2.gz HYAZJZCTQNDBIM-NWDGAFQWSA-N 2 1 248.374 1.404 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576903406 993450206 /nfs/dbraw/zinc/45/02/06/993450206.db2.gz JJHNBINOGXHGGE-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@](C)(C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])OC ZINC001576949750 993465623 /nfs/dbraw/zinc/46/56/23/993465623.db2.gz OGGGATOJYDNUFI-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])OC ZINC001576949750 993465630 /nfs/dbraw/zinc/46/56/30/993465630.db2.gz OGGGATOJYDNUFI-JHJVBQTASA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001576961399 993471276 /nfs/dbraw/zinc/47/12/76/993471276.db2.gz UQGNWKDOWVKMJU-LBPRGKRZSA-N 2 1 226.364 1.223 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001576965392 993473372 /nfs/dbraw/zinc/47/33/72/993473372.db2.gz AEVGZSVOERIJIZ-GMXVVIOVSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001576965392 993473375 /nfs/dbraw/zinc/47/33/75/993473375.db2.gz AEVGZSVOERIJIZ-GMXVVIOVSA-N 2 1 242.363 1.245 20 0 BDADMP CC[C@@H](C)C[C@H](CO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC001576971197 993475033 /nfs/dbraw/zinc/47/50/33/993475033.db2.gz OEXGFSMGWBVTRC-CQLXCSJHSA-N 2 1 226.364 1.125 20 0 BDADMP CCC(CC)(C[NH3+])CN[C@H]1CC[N@@H+](C)[C@@H]1C ZINC001577052136 993489683 /nfs/dbraw/zinc/48/96/83/993489683.db2.gz JSIVBUDEDLZHRD-NEPJUHHUSA-N 2 1 227.396 1.434 20 0 BDADMP CCC(CC)(C[NH3+])C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC001577052136 993489686 /nfs/dbraw/zinc/48/96/86/993489686.db2.gz JSIVBUDEDLZHRD-NEPJUHHUSA-N 2 1 227.396 1.434 20 0 BDADMP CCC(CC)(C[NH3+])[NH2+]C[C@@H](C)COC ZINC001577059241 993492126 /nfs/dbraw/zinc/49/21/26/993492126.db2.gz PEHBOOCAYJJVFC-SNVBAGLBSA-N 2 1 202.342 1.376 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001577124906 993500534 /nfs/dbraw/zinc/50/05/34/993500534.db2.gz WLIFYNZKKNSQOB-HSOILSAZSA-N 2 1 242.363 1.434 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)OC ZINC001577090689 993503580 /nfs/dbraw/zinc/50/35/80/993503580.db2.gz UQVGANZXOSWDQF-MNOVXSKESA-N 2 1 240.347 1.060 20 0 BDADMP CC[C@]1(O)CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577233082 993550303 /nfs/dbraw/zinc/55/03/03/993550303.db2.gz DEVDPYKMKUDAJK-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@]1(C)C[NH2+]CCO1 ZINC001577246465 993553633 /nfs/dbraw/zinc/55/36/33/993553633.db2.gz AEGNFKICNSHVGR-IJLUTSLNSA-N 2 1 212.337 1.143 20 0 BDADMP CC[C@@H]1CC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)[C@H]1C ZINC001577262274 993565832 /nfs/dbraw/zinc/56/58/32/993565832.db2.gz FNAVJCSMITZNKL-YNEHKIRRSA-N 2 1 226.364 1.221 20 0 BDADMP CCC[C@@H](C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)OC ZINC001577357668 993615060 /nfs/dbraw/zinc/61/50/60/993615060.db2.gz DWXPALQVYORITG-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001577368921 993622858 /nfs/dbraw/zinc/62/28/58/993622858.db2.gz LTHJJMCRQMQVBL-VXGBXAGGSA-N 2 1 214.353 1.351 20 0 BDADMP CCC[C@@H]1C[NH2+]CCN1C[C@H]1CCC[N@H+]1C ZINC001577385257 993635145 /nfs/dbraw/zinc/63/51/45/993635145.db2.gz IAEVZKLQOWCBDZ-CHWSQXEVSA-N 2 1 225.380 1.155 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001577400577 993641106 /nfs/dbraw/zinc/64/11/06/993641106.db2.gz ALPBREDMDNLHJO-SRVKXCTJSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001577400577 993641115 /nfs/dbraw/zinc/64/11/15/993641115.db2.gz ALPBREDMDNLHJO-SRVKXCTJSA-N 2 1 241.379 1.055 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001577401009 993644162 /nfs/dbraw/zinc/64/41/62/993644162.db2.gz UCGXZDSPRSZEHD-NWDGAFQWSA-N 2 1 241.379 1.057 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@@](C)(CC)C[NH3+] ZINC001577445567 993661867 /nfs/dbraw/zinc/66/18/67/993661867.db2.gz YSXZGUOAQFPWLA-ZDUSSCGKSA-N 2 1 243.395 1.210 20 0 BDADMP C[NH2+]C1CCC([NH2+][C@H]2CCCC[C@H]2N)CC1 ZINC000385555989 993662402 /nfs/dbraw/zinc/66/24/02/993662402.db2.gz NZFPOQVUOJUKAN-TUUUFIMRSA-N 2 1 225.380 1.377 20 0 BDADMP CC[N@@H+](C)[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC001577655153 993703278 /nfs/dbraw/zinc/70/32/78/993703278.db2.gz SXMYMLBZYKJMJG-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CSCC[C@H](C)[N@H+]1CCC[C@H]1CN ZINC000388452897 993731970 /nfs/dbraw/zinc/73/19/70/993731970.db2.gz RCOQGGBONMFGDU-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP CSCC[C@H](C)[N@H+]1CCC[C@H]1C[NH3+] ZINC000388452897 993731992 /nfs/dbraw/zinc/73/19/92/993731992.db2.gz RCOQGGBONMFGDU-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2CCC[NH+](C)CC2)C1 ZINC000389315890 993744780 /nfs/dbraw/zinc/74/47/80/993744780.db2.gz GPGNUTHYGYRUCU-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CCC[N@H+](C)CC2)C1 ZINC000389315890 993744787 /nfs/dbraw/zinc/74/47/87/993744787.db2.gz GPGNUTHYGYRUCU-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000389315890 993744799 /nfs/dbraw/zinc/74/47/99/993744799.db2.gz GPGNUTHYGYRUCU-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC000389315890 993744808 /nfs/dbraw/zinc/74/48/08/993744808.db2.gz GPGNUTHYGYRUCU-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000389315890 993744818 /nfs/dbraw/zinc/74/48/18/993744818.db2.gz GPGNUTHYGYRUCU-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]23CCOC3)C[NH2+]1 ZINC000390122605 993777007 /nfs/dbraw/zinc/77/70/07/993777007.db2.gz GMVCEDPPBGLHMI-AGIUHOORSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCOC3)C[NH2+]1 ZINC000390122605 993777019 /nfs/dbraw/zinc/77/70/19/993777019.db2.gz GMVCEDPPBGLHMI-AGIUHOORSA-N 2 1 224.348 1.382 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](CC)CC ZINC000390599913 993799057 /nfs/dbraw/zinc/79/90/57/993799057.db2.gz VQKCXHLYTQBIQH-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC000700377875 993832305 /nfs/dbraw/zinc/83/23/05/993832305.db2.gz NADDIKBWKPIYQU-ZDUSSCGKSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](CC)C1 ZINC000393374575 993941316 /nfs/dbraw/zinc/94/13/16/993941316.db2.gz KNAMVHNDOVGEIV-LBPRGKRZSA-N 2 1 213.369 1.012 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)o1 ZINC001332399446 994072221 /nfs/dbraw/zinc/07/22/21/994072221.db2.gz COXQLATXXKCNEU-WDEREUQCSA-N 2 1 237.347 1.979 20 0 BDADMP Cc1ncc(CN2CC[NH+](C(C)(C)C)CC2)[nH]1 ZINC000724778336 994076504 /nfs/dbraw/zinc/07/65/04/994076504.db2.gz UFLWPFATZFKJAE-UHFFFAOYSA-N 2 1 236.363 1.634 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCOC1 ZINC000268832097 538918673 /nfs/dbraw/zinc/91/86/73/538918673.db2.gz FONQLSSJBDFVIR-GFCCVEGCSA-N 2 1 223.320 1.350 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn2ccccc12 ZINC000071373291 398148118 /nfs/dbraw/zinc/14/81/18/398148118.db2.gz GHXSUOAMCOMZTO-LBPRGKRZSA-N 2 1 246.358 1.764 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000126893421 178005883 /nfs/dbraw/zinc/00/58/83/178005883.db2.gz IJCPGXCXHSQJGI-VHSXEESVSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000126893421 178005884 /nfs/dbraw/zinc/00/58/84/178005884.db2.gz IJCPGXCXHSQJGI-VHSXEESVSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000125349435 178007790 /nfs/dbraw/zinc/00/77/90/178007790.db2.gz QFHPTXPZFMQHIQ-UHTWSYAYSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000125349435 178007791 /nfs/dbraw/zinc/00/77/91/178007791.db2.gz QFHPTXPZFMQHIQ-UHTWSYAYSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@H](CO)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000161830682 538919511 /nfs/dbraw/zinc/91/95/11/538919511.db2.gz BHJFCOIOUHYUPB-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)on1 ZINC000367605567 178034272 /nfs/dbraw/zinc/03/42/72/178034272.db2.gz HGHRJPAZADTSJL-MGPQQGTHSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)on1 ZINC000367605567 178034273 /nfs/dbraw/zinc/03/42/73/178034273.db2.gz HGHRJPAZADTSJL-MGPQQGTHSA-N 2 1 249.358 1.945 20 0 BDADMP Cc1cc(F)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320572 178084812 /nfs/dbraw/zinc/08/48/12/178084812.db2.gz DSDYXMYBFNWZDT-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP Cc1cc(F)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320572 178084813 /nfs/dbraw/zinc/08/48/13/178084813.db2.gz DSDYXMYBFNWZDT-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000385956363 398193495 /nfs/dbraw/zinc/19/34/95/398193495.db2.gz DNZAVBPGNZRGEJ-BNDIWNMDSA-N 2 1 226.364 1.673 20 0 BDADMP Cc1cc(N(C)CC[N@H+](C)C2CC2)nc(C)[nH+]1 ZINC000274514244 178099517 /nfs/dbraw/zinc/09/95/17/178099517.db2.gz VGLCSXRRYHYJOV-UHFFFAOYSA-N 2 1 234.347 1.624 20 0 BDADMP Cc1cc(N(C)CC[N@@H+](C)C2CC2)nc(C)[nH+]1 ZINC000274514244 178099520 /nfs/dbraw/zinc/09/95/20/178099520.db2.gz VGLCSXRRYHYJOV-UHFFFAOYSA-N 2 1 234.347 1.624 20 0 BDADMP Cn1cc(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000649409005 398208366 /nfs/dbraw/zinc/20/83/66/398208366.db2.gz VNHBLXUBHVMVFI-UHFFFAOYSA-N 2 1 248.374 1.179 20 0 BDADMP CN1CC[N@@H+](C[C@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000649412500 398213844 /nfs/dbraw/zinc/21/38/44/398213844.db2.gz PUEKYSFGXOAUQO-ZDUSSCGKSA-N 2 1 245.370 1.548 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000649411952 398214369 /nfs/dbraw/zinc/21/43/69/398214369.db2.gz ZHKZZDVXLDMDQI-NEPJUHHUSA-N 3 1 234.347 1.199 20 0 BDADMP c1c[nH]c([C@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000649411952 398214370 /nfs/dbraw/zinc/21/43/70/398214370.db2.gz ZHKZZDVXLDMDQI-NEPJUHHUSA-N 3 1 234.347 1.199 20 0 BDADMP Cc1cc(NCC[N@H+]2CCCOCC2)cc[nH+]1 ZINC000276727844 178161765 /nfs/dbraw/zinc/16/17/65/178161765.db2.gz LADXFZUNEYINAB-UHFFFAOYSA-N 2 1 235.331 1.524 20 0 BDADMP Cc1cc(NCC[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC000110793439 178162926 /nfs/dbraw/zinc/16/29/26/178162926.db2.gz OGGULVURDYESOF-LBPRGKRZSA-N 2 1 234.347 1.895 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000386834580 398221021 /nfs/dbraw/zinc/22/10/21/398221021.db2.gz WOUCKRLHLWSFTN-AAEUAGOBSA-N 2 1 236.363 1.169 20 0 BDADMP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000430762606 398231038 /nfs/dbraw/zinc/23/10/38/398231038.db2.gz OPKPKMPFNRUYFU-SDDRHHMPSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000092629279 398235911 /nfs/dbraw/zinc/23/59/11/398235911.db2.gz BZFXQSKQESIMKI-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CCN1CCC[C@@H]1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000092633672 398235940 /nfs/dbraw/zinc/23/59/40/398235940.db2.gz CHRHIBKRUGNAOR-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000092633672 398235943 /nfs/dbraw/zinc/23/59/43/398235943.db2.gz CHRHIBKRUGNAOR-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000092633672 398235947 /nfs/dbraw/zinc/23/59/47/398235947.db2.gz CHRHIBKRUGNAOR-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000521337784 259305846 /nfs/dbraw/zinc/30/58/46/259305846.db2.gz HZJQOZHMVPDKQN-GFCCVEGCSA-N 2 1 234.347 1.216 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000521337784 259305848 /nfs/dbraw/zinc/30/58/48/259305848.db2.gz HZJQOZHMVPDKQN-GFCCVEGCSA-N 2 1 234.347 1.216 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000576475714 365605743 /nfs/dbraw/zinc/60/57/43/365605743.db2.gz LBPNVGYGOVTSFM-NEPJUHHUSA-N 2 1 237.347 1.634 20 0 BDADMP C([NH2+][C@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000232466229 136229226 /nfs/dbraw/zinc/22/92/26/136229226.db2.gz LKSKMYVAVWXHIZ-UWVGGRQHSA-N 2 1 200.351 1.224 20 0 BDADMP C[C@@H](CC1CCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000167425828 538941940 /nfs/dbraw/zinc/94/19/40/538941940.db2.gz YFMPHPQYRMLXTO-CMPLNLGQSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+]CCn1cc[nH+]c1C)OC ZINC000381325538 398251553 /nfs/dbraw/zinc/25/15/53/398251553.db2.gz XOQQLZQXCXROAH-WCQYABFASA-N 2 1 239.363 1.842 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H]1CCCOCC1 ZINC000336781800 398255981 /nfs/dbraw/zinc/25/59/81/398255981.db2.gz VRVWPWRHZFYBQE-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC000386764899 398266327 /nfs/dbraw/zinc/26/63/27/398266327.db2.gz JEUCATLMYPWVIC-CYBMUJFWSA-N 2 1 236.363 1.041 20 0 BDADMP FC(F)(F)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000083119679 349571261 /nfs/dbraw/zinc/57/12/61/349571261.db2.gz VHPDMCLOUWEYKA-OCAPTIKFSA-N 2 1 208.227 1.090 20 0 BDADMP FC(F)(F)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000083119679 349571264 /nfs/dbraw/zinc/57/12/64/349571264.db2.gz VHPDMCLOUWEYKA-OCAPTIKFSA-N 2 1 208.227 1.090 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000180095024 538957672 /nfs/dbraw/zinc/95/76/72/538957672.db2.gz VJEMVTGJPKFKFR-CMPLNLGQSA-N 2 1 248.374 1.853 20 0 BDADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC2)CC[N@H+]1C ZINC000129732054 323009250 /nfs/dbraw/zinc/00/92/50/323009250.db2.gz NWNMNMZTWHLIBD-OLZOCXBDSA-N 2 1 225.380 1.155 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378907754 346856317 /nfs/dbraw/zinc/85/63/17/346856317.db2.gz GLVUNVHEJUBGMO-AGIUHOORSA-N 2 1 219.332 1.970 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000037164703 538961786 /nfs/dbraw/zinc/96/17/86/538961786.db2.gz WESNALQMOCLORV-CHWSQXEVSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H](CO)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678044665 488179510 /nfs/dbraw/zinc/17/95/10/488179510.db2.gz RKGFBIOCJDOXAH-OLZOCXBDSA-N 2 1 226.364 1.033 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1F ZINC000583928840 342727844 /nfs/dbraw/zinc/72/78/44/342727844.db2.gz SPXUWDHIULKAOT-JQWIXIFHSA-N 2 1 237.322 1.828 20 0 BDADMP COCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190281 342752350 /nfs/dbraw/zinc/75/23/50/342752350.db2.gz LXNYVVLCWABEMQ-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190281 342752351 /nfs/dbraw/zinc/75/23/51/342752351.db2.gz LXNYVVLCWABEMQ-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP C[NH+](C)C1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649486248 398283013 /nfs/dbraw/zinc/28/30/13/398283013.db2.gz CYNZXEFAFXKUTO-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400406863 529399164 /nfs/dbraw/zinc/39/91/64/529399164.db2.gz RRWUDSRBGGOMOB-AXFHLTTASA-N 2 1 200.326 1.142 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000381130246 538995355 /nfs/dbraw/zinc/99/53/55/538995355.db2.gz KMGLSHQXLUEPMS-UWVGGRQHSA-N 2 1 224.352 1.709 20 0 BDADMP C[N@H+]1CC[C@H](NC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000335626076 136240815 /nfs/dbraw/zinc/24/08/15/136240815.db2.gz XDYWCVFTUKMIKG-ZFWWWQNUSA-N 2 1 245.370 1.383 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000335634079 136241505 /nfs/dbraw/zinc/24/15/05/136241505.db2.gz MBAJEZLMRACDHQ-KGLIPLIRSA-N 2 1 248.374 1.242 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336258003 398325578 /nfs/dbraw/zinc/32/55/78/398325578.db2.gz QBGSMDOCVARVQH-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336258003 398325579 /nfs/dbraw/zinc/32/55/79/398325579.db2.gz QBGSMDOCVARVQH-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336258003 398325581 /nfs/dbraw/zinc/32/55/81/398325581.db2.gz QBGSMDOCVARVQH-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381266257 398326444 /nfs/dbraw/zinc/32/64/44/398326444.db2.gz UETXPGHJHXPRMT-YPMHNXCESA-N 2 1 228.380 1.610 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381266257 398326446 /nfs/dbraw/zinc/32/64/46/398326446.db2.gz UETXPGHJHXPRMT-YPMHNXCESA-N 2 1 228.380 1.610 20 0 BDADMP COCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918021 398335261 /nfs/dbraw/zinc/33/52/61/398335261.db2.gz IINWDMPZYBKYRN-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313360714 259333978 /nfs/dbraw/zinc/33/39/78/259333978.db2.gz WPXOSKSIPAIBBH-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CCO)C1 ZINC000678075732 488191063 /nfs/dbraw/zinc/19/10/63/488191063.db2.gz NYRUHSRJLSKCRM-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000678075732 488191066 /nfs/dbraw/zinc/19/10/66/488191066.db2.gz NYRUHSRJLSKCRM-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CCO)C1 ZINC000678075732 488191072 /nfs/dbraw/zinc/19/10/72/488191072.db2.gz NYRUHSRJLSKCRM-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP Cn1cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000020360522 342983624 /nfs/dbraw/zinc/98/36/24/342983624.db2.gz GIVGCKTWQFYCGY-UHFFFAOYSA-N 2 1 235.375 1.991 20 0 BDADMP CC1([NH3+])CC[NH+](Cc2cnc(N)s2)CC1 ZINC000309780445 488193548 /nfs/dbraw/zinc/19/35/48/488193548.db2.gz MTKCWRDYCFOCBI-UHFFFAOYSA-N 2 1 226.349 1.039 20 0 BDADMP c1cc2c(cc1C[N@H+]1CCCOCC1)C[NH2+]CC2 ZINC000211940774 343017442 /nfs/dbraw/zinc/01/74/42/343017442.db2.gz WFBUPZJKUFALGB-UHFFFAOYSA-N 2 1 246.354 1.555 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCCCCC1 ZINC000221951734 349789423 /nfs/dbraw/zinc/78/94/23/349789423.db2.gz UBSHZNOXLDCCHV-ZDUSSCGKSA-N 2 1 225.380 1.202 20 0 BDADMP O[C@@]1(C[NH+]2CCC2)CCN(Cc2ccccc2)C1 ZINC000634646679 343058739 /nfs/dbraw/zinc/05/87/39/343058739.db2.gz IZICDCQHPZKBNX-OAHLLOKOSA-N 2 1 246.354 1.329 20 0 BDADMP Cc1cnc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000235927533 343067331 /nfs/dbraw/zinc/06/73/31/343067331.db2.gz WHVSWMFBOAZBGT-ZJUUUORDSA-N 2 1 225.361 1.669 20 0 BDADMP Cc1cnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000235927601 343067363 /nfs/dbraw/zinc/06/73/63/343067363.db2.gz UOLZSMPEPQFEIQ-UWVGGRQHSA-N 2 1 225.361 1.811 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337855 529690743 /nfs/dbraw/zinc/69/07/43/529690743.db2.gz GNCBGPRXOGLXKM-XQQFMLRXSA-N 2 1 227.396 1.447 20 0 BDADMP Cc1ncsc1CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000133618132 343185455 /nfs/dbraw/zinc/18/54/55/343185455.db2.gz IDNHWHDNKHABDE-ONGXEEELSA-N 2 1 239.388 1.806 20 0 BDADMP COC[C@H](C)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000163552889 343206737 /nfs/dbraw/zinc/20/67/37/343206737.db2.gz AKTLJMIKFZKEHB-VXGBXAGGSA-N 2 1 216.369 1.574 20 0 BDADMP CCc1nn(C)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000401761515 343229098 /nfs/dbraw/zinc/22/90/98/343229098.db2.gz CLLYPEWDZYDQGE-UHFFFAOYSA-N 2 1 247.346 1.048 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000634687387 343239919 /nfs/dbraw/zinc/23/99/19/343239919.db2.gz JKVBWSKMDPIKEP-BXUZGUMPSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000634687820 343245058 /nfs/dbraw/zinc/24/50/58/343245058.db2.gz AKEORSITJWIDFK-NDBYEHHHSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)O1 ZINC000634688069 343246919 /nfs/dbraw/zinc/24/69/19/343246919.db2.gz HEBOOCKBNCQPES-XQHKEYJVSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)O1 ZINC000634688069 343246921 /nfs/dbraw/zinc/24/69/21/343246921.db2.gz HEBOOCKBNCQPES-XQHKEYJVSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)O1 ZINC000634688539 343249131 /nfs/dbraw/zinc/24/91/31/343249131.db2.gz VVAOQCYLSOQWDY-RQJABVFESA-N 2 1 238.375 1.485 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635197 136300816 /nfs/dbraw/zinc/30/08/16/136300816.db2.gz QXEHSDVTOTWGAU-STQMWFEESA-N 2 1 248.374 1.540 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635197 136300818 /nfs/dbraw/zinc/30/08/18/136300818.db2.gz QXEHSDVTOTWGAU-STQMWFEESA-N 2 1 248.374 1.540 20 0 BDADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCCOCC1)C2 ZINC000335673749 136317483 /nfs/dbraw/zinc/31/74/83/136317483.db2.gz GYXXDIOMCSNIJD-WDEREUQCSA-N 2 1 235.331 1.426 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000349153445 136326841 /nfs/dbraw/zinc/32/68/41/136326841.db2.gz SGRKJOWXVSUKMH-CHWSQXEVSA-N 2 1 249.358 1.636 20 0 BDADMP CC[C@H]([NH3+])c1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641156743 362241760 /nfs/dbraw/zinc/24/17/60/362241760.db2.gz VRJOXYMEYOGXPN-VIFPVBQESA-N 2 1 234.307 1.076 20 0 BDADMP CC[C@](C)([NH3+])c1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641155737 362243227 /nfs/dbraw/zinc/24/32/27/362243227.db2.gz CTPUPVNSSYSVPW-LBPRGKRZSA-N 2 1 248.334 1.250 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCF)CC[C@H]21 ZINC000247969771 136373379 /nfs/dbraw/zinc/37/33/79/136373379.db2.gz HEOIZCGOJGKGKD-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCF)CC[C@H]21 ZINC000247969771 136373380 /nfs/dbraw/zinc/37/33/80/136373380.db2.gz HEOIZCGOJGKGKD-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC000247969771 136373381 /nfs/dbraw/zinc/37/33/81/136373381.db2.gz HEOIZCGOJGKGKD-VXGBXAGGSA-N 2 1 214.328 1.762 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000309032648 346956287 /nfs/dbraw/zinc/95/62/87/346956287.db2.gz FUYUXXYBFRUKMH-VXGBXAGGSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H]1C[C@@H](N(C)Cc2cn[nH]c2)CC[N@H+]1C ZINC000678278116 488235476 /nfs/dbraw/zinc/23/54/76/488235476.db2.gz MNVBDUNZXWAUAA-JQWIXIFHSA-N 2 1 222.336 1.324 20 0 BDADMP C[C@]1(C[N@@H+]2CCO[C@H](C(F)F)CC2)CC[NH2+]C1 ZINC000634732368 344106831 /nfs/dbraw/zinc/10/68/31/344106831.db2.gz DUAYGUIMOVOFFG-JQWIXIFHSA-N 2 1 248.317 1.342 20 0 BDADMP C[C@]1(C[N@H+]2CCO[C@H](C(F)F)CC2)CC[NH2+]C1 ZINC000634732368 344106834 /nfs/dbraw/zinc/10/68/34/344106834.db2.gz DUAYGUIMOVOFFG-JQWIXIFHSA-N 2 1 248.317 1.342 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000634733512 344113161 /nfs/dbraw/zinc/11/31/61/344113161.db2.gz HEIWQUCYOLASRA-UPJWGTAASA-N 2 1 239.407 1.624 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CC1(C)COC1 ZINC000625793406 344076440 /nfs/dbraw/zinc/07/64/40/344076440.db2.gz UZTDKVMMRJDSNI-UHFFFAOYSA-N 2 1 237.347 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC1(C)COC1 ZINC000625793406 344076441 /nfs/dbraw/zinc/07/64/41/344076441.db2.gz UZTDKVMMRJDSNI-UHFFFAOYSA-N 2 1 237.347 1.321 20 0 BDADMP C[N@H+](C[C@H](O)CN(C1CC1)C1CC1)C1CC1 ZINC000625841816 344093290 /nfs/dbraw/zinc/09/32/90/344093290.db2.gz RBTBOZHVRAVEOV-ZDUSSCGKSA-N 2 1 224.348 1.068 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000085579483 344207171 /nfs/dbraw/zinc/20/71/71/344207171.db2.gz KDJRWEPWSXUEDT-CYBMUJFWSA-N 2 1 221.348 1.835 20 0 BDADMP CN(C)c1nc(N2CCC(CC[NH3+])CC2)cc[nH+]1 ZINC000085432246 344205840 /nfs/dbraw/zinc/20/58/40/344205840.db2.gz PTKGFBVGYCYTLJ-UHFFFAOYSA-N 2 1 249.362 1.108 20 0 BDADMP C[C@]1(C[N@H+]2CCSC(C)(C)C2)CC[NH2+]C1 ZINC000133335917 344315469 /nfs/dbraw/zinc/31/54/69/344315469.db2.gz UEXBUPMMGDBGIA-LBPRGKRZSA-N 2 1 228.405 1.813 20 0 BDADMP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1ccccc1 ZINC000034977193 344327072 /nfs/dbraw/zinc/32/70/72/344327072.db2.gz LDUWYUGLJBJDOM-UHFFFAOYSA-N 2 1 247.342 1.311 20 0 BDADMP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1ccccc1 ZINC000034977193 344327076 /nfs/dbraw/zinc/32/70/76/344327076.db2.gz LDUWYUGLJBJDOM-UHFFFAOYSA-N 2 1 247.342 1.311 20 0 BDADMP COC(=O)CCCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000600699671 344359800 /nfs/dbraw/zinc/35/98/00/344359800.db2.gz BXVRAOZUKLLULK-UHFFFAOYSA-N 2 1 230.352 1.246 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccccc1 ZINC000385228163 344378995 /nfs/dbraw/zinc/37/89/95/344378995.db2.gz INWBVDREVRTZDA-WCQYABFASA-N 2 1 204.317 1.651 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccccc1 ZINC000385228163 344378998 /nfs/dbraw/zinc/37/89/98/344378998.db2.gz INWBVDREVRTZDA-WCQYABFASA-N 2 1 204.317 1.651 20 0 BDADMP C[C@H](O)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045619726 344573665 /nfs/dbraw/zinc/57/36/65/344573665.db2.gz RVGMGHHPRCNSHL-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000309417864 347058398 /nfs/dbraw/zinc/05/83/98/347058398.db2.gz JMHNVFBNZYSXFS-ZETCQYMHSA-N 2 1 210.281 1.207 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000158337335 344603850 /nfs/dbraw/zinc/60/38/50/344603850.db2.gz ZTARFLDYVOHEEG-PWSUYJOCSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000158337335 344603853 /nfs/dbraw/zinc/60/38/53/344603853.db2.gz ZTARFLDYVOHEEG-PWSUYJOCSA-N 2 1 235.331 1.259 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626045993 344695550 /nfs/dbraw/zinc/69/55/50/344695550.db2.gz LJDDFLGPCYHVIK-BETUJISGSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626045993 344695552 /nfs/dbraw/zinc/69/55/52/344695552.db2.gz LJDDFLGPCYHVIK-BETUJISGSA-N 2 1 237.347 1.284 20 0 BDADMP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1nccs1 ZINC000387522655 344696232 /nfs/dbraw/zinc/69/62/32/344696232.db2.gz OQLXHGCLEQVTMT-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1nccs1 ZINC000387522655 344696233 /nfs/dbraw/zinc/69/62/33/344696233.db2.gz OQLXHGCLEQVTMT-SNVBAGLBSA-N 2 1 225.361 1.575 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CCOC2(CCC2)C1 ZINC000154404551 345033964 /nfs/dbraw/zinc/03/39/64/345033964.db2.gz MMGJJRXXXACLKR-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CC1 ZINC000154882687 345055035 /nfs/dbraw/zinc/05/50/35/345055035.db2.gz GBQBQIORGNBSGN-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@H]1C ZINC000359594409 345090755 /nfs/dbraw/zinc/09/07/55/345090755.db2.gz UAIXQRHKPYCGPB-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000359594409 345090757 /nfs/dbraw/zinc/09/07/57/345090757.db2.gz UAIXQRHKPYCGPB-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359594409 345090759 /nfs/dbraw/zinc/09/07/59/345090759.db2.gz UAIXQRHKPYCGPB-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000359594409 345090762 /nfs/dbraw/zinc/09/07/62/345090762.db2.gz UAIXQRHKPYCGPB-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359594409 345090765 /nfs/dbraw/zinc/09/07/65/345090765.db2.gz UAIXQRHKPYCGPB-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C(C[NH+]1CCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155812157 345106821 /nfs/dbraw/zinc/10/68/21/345106821.db2.gz KJPGZQRINNWLQT-UONOGXRCSA-N 2 1 237.391 1.299 20 0 BDADMP C(C[NH+]1CCN(CC2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000089749250 345109366 /nfs/dbraw/zinc/10/93/66/345109366.db2.gz PIFUWZCQMFZCKO-ZDUSSCGKSA-N 2 1 237.391 1.014 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)CC[N@@H+]1C ZINC000156556292 345175525 /nfs/dbraw/zinc/17/55/25/345175525.db2.gz CAGYARYUVLWXRE-GMTAPVOTSA-N 2 1 214.378 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)CC[N@H+]1C ZINC000156556292 345175528 /nfs/dbraw/zinc/17/55/28/345175528.db2.gz CAGYARYUVLWXRE-GMTAPVOTSA-N 2 1 214.378 1.564 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000634993479 345190508 /nfs/dbraw/zinc/19/05/08/345190508.db2.gz WBBRXVGBVHKRLH-FUUBYGMNSA-N 2 1 249.402 1.155 20 0 BDADMP C([N@H+]1CCC2(C1)CCOCC2)C12CC(C1)C[NH2+]2 ZINC000634994894 345182775 /nfs/dbraw/zinc/18/27/75/345182775.db2.gz PJUIEZLTQSTWLW-UHFFFAOYSA-N 2 1 236.359 1.241 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000634995448 345184985 /nfs/dbraw/zinc/18/49/85/345184985.db2.gz FFJWHVUYBSKJTQ-JHJVBQTASA-N 3 1 227.396 1.134 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000634995448 345184986 /nfs/dbraw/zinc/18/49/86/345184986.db2.gz FFJWHVUYBSKJTQ-JHJVBQTASA-N 3 1 227.396 1.134 20 0 BDADMP COc1ccc(CC[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000634995838 345185699 /nfs/dbraw/zinc/18/56/99/345185699.db2.gz QIGZLJQONKLYPL-UHFFFAOYSA-N 2 1 246.354 1.579 20 0 BDADMP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000634973689 345152268 /nfs/dbraw/zinc/15/22/68/345152268.db2.gz IPJAARJQDKCVLA-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000634993793 345192224 /nfs/dbraw/zinc/19/22/24/345192224.db2.gz GTYWKOVMWCMMAP-CHWSQXEVSA-N 2 1 227.396 1.278 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000634997238 345194760 /nfs/dbraw/zinc/19/47/60/345194760.db2.gz HCSCIENYFDUTFC-CHWSQXEVSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C[NH3+] ZINC000634998240 345198408 /nfs/dbraw/zinc/19/84/08/345198408.db2.gz CJPCEGHBWORHMF-MWLCHTKSSA-N 2 1 210.346 1.775 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000634999229 345199226 /nfs/dbraw/zinc/19/92/26/345199226.db2.gz RJQPPFQZMXHFBB-BXUZGUMPSA-N 2 1 246.354 1.648 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCCn2nccc21 ZINC000635001806 345201999 /nfs/dbraw/zinc/20/19/99/345201999.db2.gz GHMUKEDXCSZDJM-UPJWGTAASA-N 2 1 248.374 1.838 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635006518 345210478 /nfs/dbraw/zinc/21/04/78/345210478.db2.gz RRVRCXAQFAVIGC-LVEVGFFFSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635006508 345210847 /nfs/dbraw/zinc/21/08/47/345210847.db2.gz RRVRCXAQFAVIGC-DGORSVRFSA-N 2 1 212.337 1.282 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccncn1 ZINC000635013511 345218082 /nfs/dbraw/zinc/21/80/82/345218082.db2.gz YVHQEAKHBDNMAE-NEPJUHHUSA-N 2 1 248.374 1.905 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166673093 537893225 /nfs/dbraw/zinc/89/32/25/537893225.db2.gz UJZVDLDKDHHOBS-IGQOVBAYSA-N 2 1 240.391 1.610 20 0 BDADMP COCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158493466 345340337 /nfs/dbraw/zinc/34/03/37/345340337.db2.gz VVVOQGMOJMVPQU-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP COCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158493466 345340339 /nfs/dbraw/zinc/34/03/39/345340339.db2.gz VVVOQGMOJMVPQU-RYUDHWBXSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000133404103 345373794 /nfs/dbraw/zinc/37/37/94/345373794.db2.gz USUKVTKOCDWPBC-AVGNSLFASA-N 2 1 226.364 1.343 20 0 BDADMP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000449118436 201811953 /nfs/dbraw/zinc/81/19/53/201811953.db2.gz XTACZZHLGFQYCX-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)CCC(C)(C)O)CC1 ZINC000081671627 345484353 /nfs/dbraw/zinc/48/43/53/345484353.db2.gz LPYBAAKQXOOVJC-UHFFFAOYSA-N 2 1 242.407 1.954 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000221676161 323090961 /nfs/dbraw/zinc/09/09/61/323090961.db2.gz FUCIQGHWWGRXRT-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641720682 362636465 /nfs/dbraw/zinc/63/64/65/362636465.db2.gz NZJMDXFZXNQRFW-NSHDSACASA-N 2 1 234.347 1.095 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641720682 362636468 /nfs/dbraw/zinc/63/64/68/362636468.db2.gz NZJMDXFZXNQRFW-NSHDSACASA-N 2 1 234.347 1.095 20 0 BDADMP Fc1cc(F)cc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000167793882 345723005 /nfs/dbraw/zinc/72/30/05/345723005.db2.gz GWJAQRRIICZJPA-UHFFFAOYSA-N 2 1 226.270 1.806 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CO)CCC(C)C)CC1 ZINC000624108990 346237945 /nfs/dbraw/zinc/23/79/45/346237945.db2.gz KAHVPZUVHOXKBE-CQSZACIVSA-N 2 1 242.407 1.857 20 0 BDADMP CSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309084464 349947066 /nfs/dbraw/zinc/94/70/66/349947066.db2.gz VKPDNIXMMFDQBW-QJPTWQEYSA-N 2 1 228.405 1.812 20 0 BDADMP Cc1ncc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000628280701 346291734 /nfs/dbraw/zinc/29/17/34/346291734.db2.gz CQPFNVPLFQEDOO-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000628280701 346291738 /nfs/dbraw/zinc/29/17/38/346291738.db2.gz CQPFNVPLFQEDOO-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000628280701 346291741 /nfs/dbraw/zinc/29/17/41/346291741.db2.gz CQPFNVPLFQEDOO-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000628280701 346291745 /nfs/dbraw/zinc/29/17/45/346291745.db2.gz CQPFNVPLFQEDOO-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000628280701 346291751 /nfs/dbraw/zinc/29/17/51/346291751.db2.gz CQPFNVPLFQEDOO-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nc(C)c(C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000641775660 362715532 /nfs/dbraw/zinc/71/55/32/362715532.db2.gz OMJBHUPDOYSMMB-UHFFFAOYSA-N 2 1 234.303 1.357 20 0 BDADMP Cc1cccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000042307308 179065907 /nfs/dbraw/zinc/06/59/07/179065907.db2.gz RXQPOIYIKJXVQD-UHFFFAOYSA-N 2 1 247.386 1.332 20 0 BDADMP Cc1noc([C@@H](C)[N@H+](C)CC[C@@H]2CC[NH2+]C2)n1 ZINC000563421846 323124095 /nfs/dbraw/zinc/12/40/95/323124095.db2.gz VIDIDTMGMJYSHG-KOLCDFICSA-N 2 1 238.335 1.370 20 0 BDADMP Cc1noc([C@@H](C)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)n1 ZINC000563421846 323124096 /nfs/dbraw/zinc/12/40/96/323124096.db2.gz VIDIDTMGMJYSHG-KOLCDFICSA-N 2 1 238.335 1.370 20 0 BDADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)on1 ZINC000641800018 362748898 /nfs/dbraw/zinc/74/88/98/362748898.db2.gz VWPYIVAKWHKQCD-JTQLQIEISA-N 2 1 239.319 1.244 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC000358164103 179094599 /nfs/dbraw/zinc/09/45/99/179094599.db2.gz MVJVKURGDOFAEU-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000358164103 179094602 /nfs/dbraw/zinc/09/46/02/179094602.db2.gz MVJVKURGDOFAEU-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP CCc1nc([C@H](C)N[C@@H]2C[C@@H]([NH3+])C2(C)C)n[nH]1 ZINC000641800578 362751818 /nfs/dbraw/zinc/75/18/18/362751818.db2.gz BOGADYCVVZNNKR-DJLDLDEBSA-N 2 1 237.351 1.144 20 0 BDADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000641802122 362758540 /nfs/dbraw/zinc/75/85/40/362758540.db2.gz XVRWGXVGLIGLOX-NWDGAFQWSA-N 2 1 238.375 1.770 20 0 BDADMP CCCCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803771 362760717 /nfs/dbraw/zinc/76/07/17/362760717.db2.gz HHDDOGBSNSFLFU-HBNTYKKESA-N 2 1 241.379 1.007 20 0 BDADMP COC[C@H](C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+])OC ZINC000641810427 362765907 /nfs/dbraw/zinc/76/59/07/362765907.db2.gz WVLAHTNOHYIYHN-VOAKCMCISA-N 2 1 244.379 1.096 20 0 BDADMP COC[C@H](C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+])OC ZINC000641810427 362765912 /nfs/dbraw/zinc/76/59/12/362765912.db2.gz WVLAHTNOHYIYHN-VOAKCMCISA-N 2 1 244.379 1.096 20 0 BDADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807851 362766314 /nfs/dbraw/zinc/76/63/14/362766314.db2.gz SHDIKDOKUHPKGR-UKKRHICBSA-N 2 1 241.379 1.005 20 0 BDADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000310541206 323133022 /nfs/dbraw/zinc/13/30/22/323133022.db2.gz QYHQBOUQQSGBAS-MGPQQGTHSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000250764219 362819851 /nfs/dbraw/zinc/81/98/51/362819851.db2.gz RZYKXPUNUNYHDL-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCC1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCC1 ZINC000382605601 347372934 /nfs/dbraw/zinc/37/29/34/347372934.db2.gz SIXWEYFDPLBECC-ZDUSSCGKSA-N 2 1 240.391 1.754 20 0 BDADMP CCC1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCC1 ZINC000382605601 347372937 /nfs/dbraw/zinc/37/29/37/347372937.db2.gz SIXWEYFDPLBECC-ZDUSSCGKSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)[C@@H]1C ZINC000380098823 365879089 /nfs/dbraw/zinc/87/90/89/365879089.db2.gz LBAZQCVOFADNTI-CKYFFXLPSA-N 2 1 207.321 1.597 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000149756585 347509891 /nfs/dbraw/zinc/50/98/91/347509891.db2.gz NJKWUPZMLQTWIG-FDYHWXHSSA-N 2 1 226.364 1.756 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000149756585 347509894 /nfs/dbraw/zinc/50/98/94/347509894.db2.gz NJKWUPZMLQTWIG-FDYHWXHSSA-N 2 1 226.364 1.756 20 0 BDADMP [NH3+]Cc1noc([C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000577220430 365888337 /nfs/dbraw/zinc/88/83/37/365888337.db2.gz GUZXWXQAPAKDAS-HLTSFMKQSA-N 2 1 222.292 1.122 20 0 BDADMP Cc1ccccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000042307402 179269434 /nfs/dbraw/zinc/26/94/34/179269434.db2.gz XGGAQJRHGGAORY-UHFFFAOYSA-N 2 1 247.386 1.332 20 0 BDADMP COC(=O)c1coc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000592438873 347779326 /nfs/dbraw/zinc/77/93/26/347779326.db2.gz RLCUASXKNWQSPI-DTWKUNHWSA-N 2 1 240.303 1.282 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000082545723 347800624 /nfs/dbraw/zinc/80/06/24/347800624.db2.gz OZTUSJLDRGSXEU-STQMWFEESA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)OC ZINC000419231524 192112069 /nfs/dbraw/zinc/11/20/69/192112069.db2.gz SAIQUBDZRNOFHG-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000161119470 179376088 /nfs/dbraw/zinc/37/60/88/179376088.db2.gz KRLPAWCYIBDJBV-TXEJJXNPSA-N 2 1 217.316 1.041 20 0 BDADMP Cc1cccnc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000161119470 179376091 /nfs/dbraw/zinc/37/60/91/179376091.db2.gz KRLPAWCYIBDJBV-TXEJJXNPSA-N 2 1 217.316 1.041 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000397485094 362888253 /nfs/dbraw/zinc/88/82/53/362888253.db2.gz UAKKSWCDRUVUSO-XJFOESAGSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000397485096 362888258 /nfs/dbraw/zinc/88/82/58/362888258.db2.gz UAKKSWCDRUVUSO-ZOBORPQBSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)C1(C(=O)OC)CCC1 ZINC000596655357 348599559 /nfs/dbraw/zinc/59/95/59/348599559.db2.gz VWDVJQOZWRUXNZ-GHMZBOCLSA-N 2 1 242.363 1.306 20 0 BDADMP C[C@@H]([NH3+])CCNc1[nH+]cnc2[nH]ccc21 ZINC000420153713 192164405 /nfs/dbraw/zinc/16/44/05/192164405.db2.gz HFMSCWMWYQVPAB-SSDOTTSWSA-N 2 1 205.265 1.059 20 0 BDADMP [NH3+][C@H]1CCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000420168309 192167657 /nfs/dbraw/zinc/16/76/57/192167657.db2.gz KCPLZWQOIOBAAF-NSHDSACASA-N 2 1 247.346 1.004 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCC2CC(O)C2)CC1(C)C ZINC000623508063 362932577 /nfs/dbraw/zinc/93/25/77/362932577.db2.gz HSXNPWJEDTZNST-OTTFEQOBSA-N 2 1 240.391 1.610 20 0 BDADMP c1nc(N[C@@H]2CC[NH2+]C2)cc(NCC2CC2)[nH+]1 ZINC000420135627 192169805 /nfs/dbraw/zinc/16/98/05/192169805.db2.gz HGDUWWVZYHMFCR-SNVBAGLBSA-N 2 1 233.319 1.072 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252688222 349209978 /nfs/dbraw/zinc/20/99/78/349209978.db2.gz NOXGUHBDLRKRQG-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP Cc1ncc(C[NH2+]CCCC[N@H+](C)C2CC2)o1 ZINC000628304665 349325511 /nfs/dbraw/zinc/32/55/11/349325511.db2.gz KUYZFMIMQTWFOY-UHFFFAOYSA-N 2 1 237.347 1.947 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623528395 362947329 /nfs/dbraw/zinc/94/73/29/362947329.db2.gz KLBUXXFZUJCILP-GRYCIOLGSA-N 2 1 228.380 1.872 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309061719 349428398 /nfs/dbraw/zinc/42/83/98/349428398.db2.gz XAZJUHVDBRAELT-WHOHXGKFSA-N 2 1 212.337 1.236 20 0 BDADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309061719 349428400 /nfs/dbraw/zinc/42/84/00/349428400.db2.gz XAZJUHVDBRAELT-WHOHXGKFSA-N 2 1 212.337 1.236 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)CC1(C)C ZINC000623527927 362948268 /nfs/dbraw/zinc/94/82/68/362948268.db2.gz OJCICGLPSVUNQX-GFCCVEGCSA-N 2 1 236.363 1.415 20 0 BDADMP Cc1ccn2cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])nc2c1 ZINC000422710825 192437916 /nfs/dbraw/zinc/43/79/16/192437916.db2.gz GEFRZBKYLRNZBS-VXGBXAGGSA-N 2 1 246.358 1.858 20 0 BDADMP Cc1ncc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[nH]1 ZINC000356750425 180132606 /nfs/dbraw/zinc/13/26/06/180132606.db2.gz CVBJAPWFTLGFIG-VIFPVBQESA-N 2 1 238.335 1.177 20 0 BDADMP Cc1ncc([C@H](C)NC[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC000154555521 180173378 /nfs/dbraw/zinc/17/33/78/180173378.db2.gz PUHNLCYMRTXTGT-GWCFXTLKSA-N 2 1 248.374 1.838 20 0 BDADMP Cc1ncc([C@H](C)NC[C@@H]2CCC[N@H+]2C)c(C)n1 ZINC000154555521 180173381 /nfs/dbraw/zinc/17/33/81/180173381.db2.gz PUHNLCYMRTXTGT-GWCFXTLKSA-N 2 1 248.374 1.838 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000049533935 180146960 /nfs/dbraw/zinc/14/69/60/180146960.db2.gz QDCPTVYVXHZYDI-SECBINFHSA-N 2 1 211.334 1.232 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000049533935 180146963 /nfs/dbraw/zinc/14/69/63/180146963.db2.gz QDCPTVYVXHZYDI-SECBINFHSA-N 2 1 211.334 1.232 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000339281752 180151862 /nfs/dbraw/zinc/15/18/62/180151862.db2.gz JWIWFPUGQYSKFW-LBPRGKRZSA-N 2 1 246.358 1.359 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000339281752 180151866 /nfs/dbraw/zinc/15/18/66/180151866.db2.gz JWIWFPUGQYSKFW-LBPRGKRZSA-N 2 1 246.358 1.359 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044535455 180152500 /nfs/dbraw/zinc/15/25/00/180152500.db2.gz FFLACWUTDUCFOL-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044535455 180152503 /nfs/dbraw/zinc/15/25/03/180152503.db2.gz FFLACWUTDUCFOL-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP Cc1nccc(NC[C@H]2CCCC[N@@H+]2C)n1 ZINC000054936351 180201082 /nfs/dbraw/zinc/20/10/82/180201082.db2.gz VONUJENOHAGEHC-LLVKDONJSA-N 2 1 220.320 1.681 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310086454 180222501 /nfs/dbraw/zinc/22/25/01/180222501.db2.gz HATPEEXQYDLNOU-SMDDNHRTSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310086454 180222502 /nfs/dbraw/zinc/22/25/02/180222502.db2.gz HATPEEXQYDLNOU-SMDDNHRTSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1CO ZINC000305176152 180231792 /nfs/dbraw/zinc/23/17/92/180231792.db2.gz LOAPDCCMYYJDLO-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1CO ZINC000305176152 180231793 /nfs/dbraw/zinc/23/17/93/180231793.db2.gz LOAPDCCMYYJDLO-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCO ZINC000336669010 180233674 /nfs/dbraw/zinc/23/36/74/180233674.db2.gz UGXSKAODJSQXEH-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCO ZINC000336669010 180233675 /nfs/dbraw/zinc/23/36/75/180233675.db2.gz UGXSKAODJSQXEH-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)C(C)C ZINC000336710590 180235773 /nfs/dbraw/zinc/23/57/73/180235773.db2.gz PANUEKMWTGSHGI-ZDUSSCGKSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)C(C)C ZINC000336710590 180235775 /nfs/dbraw/zinc/23/57/75/180235775.db2.gz PANUEKMWTGSHGI-ZDUSSCGKSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1cccn1 ZINC000179246733 180236028 /nfs/dbraw/zinc/23/60/28/180236028.db2.gz QLCLQSMKDDIBLC-UHFFFAOYSA-N 2 1 247.346 1.410 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1cccn1 ZINC000179246733 180236031 /nfs/dbraw/zinc/23/60/31/180236031.db2.gz QLCLQSMKDDIBLC-UHFFFAOYSA-N 2 1 247.346 1.410 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](O)C1 ZINC000269717633 180239668 /nfs/dbraw/zinc/23/96/68/180239668.db2.gz SGAHLIUYGTVCKE-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](O)C1 ZINC000269717633 180239671 /nfs/dbraw/zinc/23/96/71/180239671.db2.gz SGAHLIUYGTVCKE-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc[nH]c1 ZINC000267935093 180243541 /nfs/dbraw/zinc/24/35/41/180243541.db2.gz OBOSPIDTSQVNMW-UHFFFAOYSA-N 2 1 218.304 1.700 20 0 BDADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000340495205 180273724 /nfs/dbraw/zinc/27/37/24/180273724.db2.gz UYFWGPWUIQKMDD-DGCLKSJQSA-N 2 1 248.374 1.257 20 0 BDADMP Cc1nccnc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000292960575 180274212 /nfs/dbraw/zinc/27/42/12/180274212.db2.gz JKEJDDWGTSNRNJ-UHFFFAOYSA-N 2 1 234.347 1.011 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C1(C)CC1 ZINC000309102975 323317387 /nfs/dbraw/zinc/31/73/87/323317387.db2.gz GQPFSLSNQSINDX-JTQLQIEISA-N 2 1 207.321 1.741 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CC(C)(C)C1 ZINC000336661515 180260821 /nfs/dbraw/zinc/26/08/21/180260821.db2.gz CBOQDRFFDOURTP-UHFFFAOYSA-N 2 1 207.321 1.970 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000121991919 180261137 /nfs/dbraw/zinc/26/11/37/180261137.db2.gz WUEHZNAPFPALLV-PWSUYJOCSA-N 2 1 207.321 1.970 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnn(C)c1C ZINC000272458131 180263250 /nfs/dbraw/zinc/26/32/50/180263250.db2.gz QIUIQVQBDMTIEB-SNVBAGLBSA-N 2 1 247.346 1.584 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncc[nH]1 ZINC000066593981 180264969 /nfs/dbraw/zinc/26/49/69/180264969.db2.gz SCIOAMLHRHEQSJ-SNVBAGLBSA-N 2 1 233.319 1.341 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCSC1 ZINC000167306257 180268267 /nfs/dbraw/zinc/26/82/67/180268267.db2.gz RTXVNRPIQMCWMF-PWSUYJOCSA-N 2 1 239.388 1.923 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nccnc1C ZINC000275881970 180281807 /nfs/dbraw/zinc/28/18/07/180281807.db2.gz PHLYJPSWKWKKIR-NSHDSACASA-N 2 1 245.330 1.641 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000328533472 350402499 /nfs/dbraw/zinc/40/24/99/350402499.db2.gz YZVWXVLQSKAWSK-MJBXVCDLSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCC1 ZINC000069804740 350403143 /nfs/dbraw/zinc/40/31/43/350403143.db2.gz LUZWGZUEQAPEQE-PWSUYJOCSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000310139841 180339647 /nfs/dbraw/zinc/33/96/47/180339647.db2.gz MSYOXTDUBZLUMA-SNVBAGLBSA-N 2 1 238.379 1.324 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000069889615 350432212 /nfs/dbraw/zinc/43/22/12/350432212.db2.gz GSYLASQMULOPOM-AAEUAGOBSA-N 2 1 226.364 1.628 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC2CCOCC2)CC1 ZINC000336685341 350446301 /nfs/dbraw/zinc/44/63/01/350446301.db2.gz FOYBUNIJOCQZIU-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC2CCOCC2)CC1 ZINC000336685341 350446303 /nfs/dbraw/zinc/44/63/03/350446303.db2.gz FOYBUNIJOCQZIU-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)N(C)C)c1nccn1C ZINC000070007903 350490093 /nfs/dbraw/zinc/49/00/93/350490093.db2.gz WNNSTCZCWRONMW-VHSXEESVSA-N 2 1 210.325 1.021 20 0 BDADMP COCC(COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623539932 362958111 /nfs/dbraw/zinc/95/81/11/362958111.db2.gz CPCVJXHVXVBEAK-NSHDSACASA-N 2 1 244.379 1.110 20 0 BDADMP COCC(COC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623539932 362958119 /nfs/dbraw/zinc/95/81/19/362958119.db2.gz CPCVJXHVXVBEAK-NSHDSACASA-N 2 1 244.379 1.110 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)CC[N@@H+]1C ZINC000163391049 350518018 /nfs/dbraw/zinc/51/80/18/350518018.db2.gz IBEFBALSOPUBCD-KKOKHZNYSA-N 2 1 226.364 1.218 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)CC[N@H+]1C ZINC000163391049 350518019 /nfs/dbraw/zinc/51/80/19/350518019.db2.gz IBEFBALSOPUBCD-KKOKHZNYSA-N 2 1 226.364 1.218 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000070597100 350544370 /nfs/dbraw/zinc/54/43/70/350544370.db2.gz QTCWFRKNSPQRHI-LLVKDONJSA-N 2 1 228.336 1.143 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000070597100 350544375 /nfs/dbraw/zinc/54/43/75/350544375.db2.gz QTCWFRKNSPQRHI-LLVKDONJSA-N 2 1 228.336 1.143 20 0 BDADMP [NH3+]CCOCC[N@@H+](C1CC1)C1CCCC1 ZINC000309538880 350710026 /nfs/dbraw/zinc/71/00/26/350710026.db2.gz GCJCRRMNQYKFAY-UHFFFAOYSA-N 2 1 212.337 1.369 20 0 BDADMP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000177393145 365998559 /nfs/dbraw/zinc/99/85/59/365998559.db2.gz MCQKQCOYYQIGNG-OCCSQVGLSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1nocc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085849 350843725 /nfs/dbraw/zinc/84/37/25/350843725.db2.gz IRZVEVYUXVVQFV-UHFFFAOYSA-N 2 1 220.276 1.049 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000336676470 191125158 /nfs/dbraw/zinc/12/51/58/191125158.db2.gz PTXAJINLTMEDGW-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP COCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052005636 350902646 /nfs/dbraw/zinc/90/26/46/350902646.db2.gz MIRKXCONWXHMBE-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP C([NH2+]C1CCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000082432947 191130599 /nfs/dbraw/zinc/13/05/99/191130599.db2.gz RNTFEIRJEXSTCI-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP C([NH2+]C1CCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000082432947 191130602 /nfs/dbraw/zinc/13/06/02/191130602.db2.gz RNTFEIRJEXSTCI-OLZOCXBDSA-N 2 1 224.348 1.382 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H](C)O ZINC000571516592 351076887 /nfs/dbraw/zinc/07/68/87/351076887.db2.gz OVDZDORHXPIFQC-OUAUKWLOSA-N 2 1 225.336 1.187 20 0 BDADMP CC(C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336707316 351077733 /nfs/dbraw/zinc/07/77/33/351077733.db2.gz RSACDLOBWCUGMO-LBPRGKRZSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336707316 351077736 /nfs/dbraw/zinc/07/77/36/351077736.db2.gz RSACDLOBWCUGMO-LBPRGKRZSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336707316 351077740 /nfs/dbraw/zinc/07/77/40/351077740.db2.gz RSACDLOBWCUGMO-LBPRGKRZSA-N 2 1 214.353 1.029 20 0 BDADMP CC(C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336707316 351077746 /nfs/dbraw/zinc/07/77/46/351077746.db2.gz RSACDLOBWCUGMO-LBPRGKRZSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@@H](O)C1([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000628351368 351313501 /nfs/dbraw/zinc/31/35/01/351313501.db2.gz CSYNVZDVLOOOEC-GHMZBOCLSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H](O)C1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000628351368 351313504 /nfs/dbraw/zinc/31/35/04/351313504.db2.gz CSYNVZDVLOOOEC-GHMZBOCLSA-N 2 1 226.364 1.362 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223644615 535160153 /nfs/dbraw/zinc/16/01/53/535160153.db2.gz PXYPDKUOEUJQEL-QJPTWQEYSA-N 2 1 214.353 1.076 20 0 BDADMP NC[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000414792706 351772364 /nfs/dbraw/zinc/77/23/64/351772364.db2.gz CRRIRNPBDXHPPX-GFCCVEGCSA-N 2 1 248.326 1.285 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000414792706 351772365 /nfs/dbraw/zinc/77/23/65/351772365.db2.gz CRRIRNPBDXHPPX-GFCCVEGCSA-N 2 1 248.326 1.285 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CC1 ZINC000638088390 351965304 /nfs/dbraw/zinc/96/53/04/351965304.db2.gz BQFMFQAIHOPXNJ-XQQFMLRXSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CC1 ZINC000638088390 351965308 /nfs/dbraw/zinc/96/53/08/351965308.db2.gz BQFMFQAIHOPXNJ-XQQFMLRXSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1cnc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)o1 ZINC000638335776 352154652 /nfs/dbraw/zinc/15/46/52/352154652.db2.gz RWSSWGRLGIFHAO-JTQLQIEISA-N 2 1 248.330 1.914 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000638381346 352193341 /nfs/dbraw/zinc/19/33/41/352193341.db2.gz KIWYSVDBZDIRDN-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638452237 352261941 /nfs/dbraw/zinc/26/19/41/352261941.db2.gz VVVOSTJXQLJWAY-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638452421 352262659 /nfs/dbraw/zinc/26/26/59/352262659.db2.gz YXXQLEDBIUYAGS-TZMCWYRMSA-N 2 1 240.391 1.733 20 0 BDADMP CCN(CC[NH3+])C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000638518758 352350935 /nfs/dbraw/zinc/35/09/35/352350935.db2.gz PAHJISMQBYJZIP-ZDUSSCGKSA-N 2 1 249.358 1.097 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC000638565541 352391095 /nfs/dbraw/zinc/39/10/95/352391095.db2.gz PKTVVJIYOGXWPD-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC2(O)CCC2)CC1 ZINC000411642010 191203077 /nfs/dbraw/zinc/20/30/77/191203077.db2.gz YCVPRXYBJHHINR-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP Cc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1F ZINC000415011566 352546677 /nfs/dbraw/zinc/54/66/77/352546677.db2.gz QSTIOKFLYWBPCL-UWVGGRQHSA-N 2 1 210.296 1.959 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042464362 352621765 /nfs/dbraw/zinc/62/17/65/352621765.db2.gz UFTITITXLXGRFY-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215252 352814373 /nfs/dbraw/zinc/81/43/73/352814373.db2.gz UGUUNNWUDGBBCZ-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215252 352814375 /nfs/dbraw/zinc/81/43/75/352814375.db2.gz UGUUNNWUDGBBCZ-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215252 352814377 /nfs/dbraw/zinc/81/43/77/352814377.db2.gz UGUUNNWUDGBBCZ-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1nc(NCC[C@H]2CCC[NH2+]C2)c(C)c(C)[nH+]1 ZINC000420214340 192176298 /nfs/dbraw/zinc/17/62/98/192176298.db2.gz VJMOMXSLBWYZGB-CYBMUJFWSA-N 2 1 248.374 1.625 20 0 BDADMP CCc1nocc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000334270670 352907021 /nfs/dbraw/zinc/90/70/21/352907021.db2.gz SSHZPLDKQKIKJG-CQSZACIVSA-N 2 1 249.358 1.765 20 0 BDADMP CCOCC[N@@H+](CC)CCCn1ccnc1C ZINC000342864937 352881659 /nfs/dbraw/zinc/88/16/59/352881659.db2.gz RIJPQGKBHJWOMF-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP CCOCC[N@H+](CC)CCCn1cc[nH+]c1C ZINC000342864937 352881662 /nfs/dbraw/zinc/88/16/62/352881662.db2.gz RIJPQGKBHJWOMF-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP CCOCC[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000342864937 352881666 /nfs/dbraw/zinc/88/16/66/352881666.db2.gz RIJPQGKBHJWOMF-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP C[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000334268021 352904194 /nfs/dbraw/zinc/90/41/94/352904194.db2.gz OGBCHINWZSQALU-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC1(F)F ZINC000638839223 353016697 /nfs/dbraw/zinc/01/66/97/353016697.db2.gz ZVCRKKGQKHGXQB-ONGXEEELSA-N 2 1 230.302 1.882 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638838027 353022622 /nfs/dbraw/zinc/02/26/22/353022622.db2.gz BXHSFEDDVRCETK-BTTYYORXSA-N 2 1 220.360 1.884 20 0 BDADMP CSC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000307054942 353052103 /nfs/dbraw/zinc/05/21/03/353052103.db2.gz YIEHJLMKKVJUCJ-AOOOYVTPSA-N 2 1 212.362 1.033 20 0 BDADMP C[N@@H+](CCOCC(F)(F)F)C1CC[NH2+]CC1 ZINC000049311719 353161447 /nfs/dbraw/zinc/16/14/47/353161447.db2.gz YZSOQUTZJCPICY-UHFFFAOYSA-N 2 1 240.269 1.249 20 0 BDADMP C[N@@H+](CCn1cccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049326201 353162303 /nfs/dbraw/zinc/16/23/03/353162303.db2.gz OLIIJZULUBPLEG-FUNVUKJBSA-N 2 1 234.347 1.098 20 0 BDADMP CC(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343254853 353251475 /nfs/dbraw/zinc/25/14/75/353251475.db2.gz VKLGUQZRIKFFML-MGPQQGTHSA-N 2 1 240.391 1.779 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252854115 353311833 /nfs/dbraw/zinc/31/18/33/353311833.db2.gz JNOKSBYIDAVQTH-AVGNSLFASA-N 2 1 231.343 1.954 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CCOCC3)C2)C1 ZINC000334509295 353408959 /nfs/dbraw/zinc/40/89/59/353408959.db2.gz GKPHZQDDPGFSMB-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3CCOCC3)C2)C1 ZINC000334509295 353408962 /nfs/dbraw/zinc/40/89/62/353408962.db2.gz GKPHZQDDPGFSMB-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3CCOCC3)C2)C1 ZINC000334509295 353408965 /nfs/dbraw/zinc/40/89/65/353408965.db2.gz GKPHZQDDPGFSMB-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP CO[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230310972 353486065 /nfs/dbraw/zinc/48/60/65/353486065.db2.gz ALRGZEZXOAFTLY-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000343331331 353739108 /nfs/dbraw/zinc/73/91/08/353739108.db2.gz JALPIAKCJHIZNN-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)C[NH+]1CCCC1 ZINC000343331331 353739111 /nfs/dbraw/zinc/73/91/11/353739111.db2.gz JALPIAKCJHIZNN-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000334521772 353887515 /nfs/dbraw/zinc/88/75/15/353887515.db2.gz XQFJYWCPKHSCRJ-QTAHKJALSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000334521772 353887517 /nfs/dbraw/zinc/88/75/17/353887517.db2.gz XQFJYWCPKHSCRJ-QTAHKJALSA-N 2 1 214.328 1.807 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](C[C@H]3CCCOC3)[C@H]2C1 ZINC000343447886 353891359 /nfs/dbraw/zinc/89/13/59/353891359.db2.gz KJCUFQSWHRKCNQ-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCCOC3)[C@H]2C1 ZINC000343447886 353891365 /nfs/dbraw/zinc/89/13/65/353891365.db2.gz KJCUFQSWHRKCNQ-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CCCOC3)[C@H]2C1 ZINC000343447886 353891368 /nfs/dbraw/zinc/89/13/68/353891368.db2.gz KJCUFQSWHRKCNQ-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CCCOC3)[C@H]2C1 ZINC000343447886 353891371 /nfs/dbraw/zinc/89/13/71/353891371.db2.gz KJCUFQSWHRKCNQ-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CCCOC3)[C@H]2C1 ZINC000343447886 353891374 /nfs/dbraw/zinc/89/13/74/353891374.db2.gz KJCUFQSWHRKCNQ-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1C[NH+](C)C[C@@H]1C ZINC000343987615 354061517 /nfs/dbraw/zinc/06/15/17/354061517.db2.gz OCQQGRMSXLJXLU-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000343987615 354061521 /nfs/dbraw/zinc/06/15/21/354061521.db2.gz OCQQGRMSXLJXLU-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000343987615 354061524 /nfs/dbraw/zinc/06/15/24/354061524.db2.gz OCQQGRMSXLJXLU-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000343938802 354048451 /nfs/dbraw/zinc/04/84/51/354048451.db2.gz QTOVJKWGSXPZLU-IYXRBSQSSA-N 2 1 242.407 2.000 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000343938802 354048455 /nfs/dbraw/zinc/04/84/55/354048455.db2.gz QTOVJKWGSXPZLU-IYXRBSQSSA-N 2 1 242.407 2.000 20 0 BDADMP CCOC1CC(C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000639168856 354056997 /nfs/dbraw/zinc/05/69/97/354056997.db2.gz ZIJSPBTWSWMZMY-UHFFFAOYSA-N 2 1 228.380 1.685 20 0 BDADMP CC(C)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028316 354090513 /nfs/dbraw/zinc/09/05/13/354090513.db2.gz MYDKMWAGIHPBFC-UHFFFAOYSA-N 2 1 229.412 1.458 20 0 BDADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000344221564 354181529 /nfs/dbraw/zinc/18/15/29/354181529.db2.gz MTMCXZPOIDNAAN-SGMGOOAPSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000344221564 354181534 /nfs/dbraw/zinc/18/15/34/354181534.db2.gz MTMCXZPOIDNAAN-SGMGOOAPSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000344221564 354181537 /nfs/dbraw/zinc/18/15/37/354181537.db2.gz MTMCXZPOIDNAAN-SGMGOOAPSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000344221564 354181541 /nfs/dbraw/zinc/18/15/41/354181541.db2.gz MTMCXZPOIDNAAN-SGMGOOAPSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344331021 354227424 /nfs/dbraw/zinc/22/74/24/354227424.db2.gz ONQSEEWSNXMLDQ-IUODEOHRSA-N 2 1 249.402 1.321 20 0 BDADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000334617326 354305604 /nfs/dbraw/zinc/30/56/04/354305604.db2.gz XSKYJDAVOZWQNP-GHMZBOCLSA-N 2 1 248.317 1.390 20 0 BDADMP CC1([NH2+]Cc2cc(O)cc(F)c2)CC[NH2+]CC1 ZINC000335175483 354943434 /nfs/dbraw/zinc/94/34/34/354943434.db2.gz WJDRYHUEDCNKLO-UHFFFAOYSA-N 2 1 238.306 1.763 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000346460651 354964959 /nfs/dbraw/zinc/96/49/59/354964959.db2.gz MXUZTBUEHZZEAW-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000346627935 354997729 /nfs/dbraw/zinc/99/77/29/354997729.db2.gz ADCLFHRVMWJSOJ-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000346627935 354997733 /nfs/dbraw/zinc/99/77/33/354997733.db2.gz ADCLFHRVMWJSOJ-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346685903 355011854 /nfs/dbraw/zinc/01/18/54/355011854.db2.gz QTHPLSZDBOYCKW-STQMWFEESA-N 3 1 227.396 1.291 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346685903 355011858 /nfs/dbraw/zinc/01/18/58/355011858.db2.gz QTHPLSZDBOYCKW-STQMWFEESA-N 3 1 227.396 1.291 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@H]2CCC[C@H]2[NH3+])s1 ZINC000335218835 355057960 /nfs/dbraw/zinc/05/79/60/355057960.db2.gz ORLLZVGIUPHWCS-ZJUUUORDSA-N 2 1 225.361 1.729 20 0 BDADMP COCCCOC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000347011273 355204024 /nfs/dbraw/zinc/20/40/24/355204024.db2.gz UKPPCCDTMPZZPS-UHFFFAOYSA-N 2 1 244.379 1.241 20 0 BDADMP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000347015476 355205561 /nfs/dbraw/zinc/20/55/61/355205561.db2.gz JMPOXWKIGBSTLE-NSHDSACASA-N 2 1 235.331 1.261 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000347015476 355205564 /nfs/dbraw/zinc/20/55/64/355205564.db2.gz JMPOXWKIGBSTLE-NSHDSACASA-N 2 1 235.331 1.261 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CCCF)CC[NH2+]CC2 ZINC000335280575 355244143 /nfs/dbraw/zinc/24/41/43/355244143.db2.gz WFUCYINSTQZFDT-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000412979009 191349425 /nfs/dbraw/zinc/34/94/25/191349425.db2.gz RQWOEEVTSFSGCO-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1cnc(C[NH2+]CCCC[N@H+](C)C2CC2)o1 ZINC000639247050 355275514 /nfs/dbraw/zinc/27/55/14/355275514.db2.gz PATKOIOTKHENQY-UHFFFAOYSA-N 2 1 237.347 1.947 20 0 BDADMP [NH3+]C[C@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCCC1 ZINC000415043621 191660535 /nfs/dbraw/zinc/66/05/35/191660535.db2.gz ASINIUGOTVTLMM-UBHUBRDASA-N 3 1 239.407 1.611 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000216002318 355791279 /nfs/dbraw/zinc/79/12/79/355791279.db2.gz QQZHHTURQJYNBZ-CABZTGNLSA-N 2 1 236.363 1.206 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@@H]1[NH3+] ZINC000336054898 134066001 /nfs/dbraw/zinc/06/60/01/134066001.db2.gz RMCHNZWIAPFSJJ-OCCSQVGLSA-N 2 1 247.386 1.922 20 0 BDADMP CC[C@@]1(O)CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000639382771 355931627 /nfs/dbraw/zinc/93/16/27/355931627.db2.gz WTQCDOYXFJLJBK-CQSZACIVSA-N 2 1 249.358 1.566 20 0 BDADMP CC[C@@H](COC)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218661 355899769 /nfs/dbraw/zinc/89/97/69/355899769.db2.gz JHCAQSLRRITZKR-QWRGUYRKSA-N 2 1 212.337 1.286 20 0 BDADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472309 355997521 /nfs/dbraw/zinc/99/75/21/355997521.db2.gz AOZKFPBMGLWEEA-UHTWSYAYSA-N 2 1 249.358 1.715 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncnc2[nH]ccc21 ZINC000351505829 356004770 /nfs/dbraw/zinc/00/47/70/356004770.db2.gz PYXKRKGXHVEZKX-VHSXEESVSA-N 2 1 245.330 1.487 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351584783 356022047 /nfs/dbraw/zinc/02/20/47/356022047.db2.gz WUHFGYLQMZPCHF-ZDUSSCGKSA-N 2 1 228.380 1.560 20 0 BDADMP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351584783 356022049 /nfs/dbraw/zinc/02/20/49/356022049.db2.gz WUHFGYLQMZPCHF-ZDUSSCGKSA-N 2 1 228.380 1.560 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC2(CC2)C1)C1CC1 ZINC000351591819 356023804 /nfs/dbraw/zinc/02/38/04/356023804.db2.gz HPZRDIHVPJBKEC-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC2(CC2)C1)C1CC1 ZINC000351591819 356023805 /nfs/dbraw/zinc/02/38/05/356023805.db2.gz HPZRDIHVPJBKEC-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC2(CC2)C1)C1CC1 ZINC000351591819 356023807 /nfs/dbraw/zinc/02/38/07/356023807.db2.gz HPZRDIHVPJBKEC-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC2(CC2)C1)C1CC1 ZINC000351591819 356023812 /nfs/dbraw/zinc/02/38/12/356023812.db2.gz HPZRDIHVPJBKEC-CYBMUJFWSA-N 2 1 238.375 1.318 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@H]3CCOC3)C2)C1 ZINC000336113248 134087356 /nfs/dbraw/zinc/08/73/56/134087356.db2.gz RQPLJCMOAGIEQV-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@H]3CCOC3)C2)C1 ZINC000336113248 134087357 /nfs/dbraw/zinc/08/73/57/134087357.db2.gz RQPLJCMOAGIEQV-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@H]3CCOC3)C2)C1 ZINC000336113248 134087358 /nfs/dbraw/zinc/08/73/58/134087358.db2.gz RQPLJCMOAGIEQV-UONOGXRCSA-N 2 1 238.375 1.441 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252558710 535299887 /nfs/dbraw/zinc/29/98/87/535299887.db2.gz UTXWBWGSZFAQSM-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252558710 535299893 /nfs/dbraw/zinc/29/98/93/535299893.db2.gz UTXWBWGSZFAQSM-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252558709 535299951 /nfs/dbraw/zinc/29/99/51/535299951.db2.gz UTXWBWGSZFAQSM-IHRRRGAJSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252558709 535299953 /nfs/dbraw/zinc/29/99/53/535299953.db2.gz UTXWBWGSZFAQSM-IHRRRGAJSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)CC1 ZINC000379473565 358501312 /nfs/dbraw/zinc/50/13/12/358501312.db2.gz VJEBJPZEQIFPQF-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000379473565 358501313 /nfs/dbraw/zinc/50/13/13/358501313.db2.gz VJEBJPZEQIFPQF-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000379473565 358501317 /nfs/dbraw/zinc/50/13/17/358501317.db2.gz VJEBJPZEQIFPQF-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP Cc1noc(CCC[N@H+](C)CC(C)(C)C[NH3+])n1 ZINC000420297950 192204282 /nfs/dbraw/zinc/20/42/82/192204282.db2.gz ZEEHKUOKOXZRLC-UHFFFAOYSA-N 2 1 240.351 1.227 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420318931 192195941 /nfs/dbraw/zinc/19/59/41/192195941.db2.gz WWVHEESFCGKALG-KBPBESRZSA-N 3 1 239.407 1.437 20 0 BDADMP [NH3+][C@H]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000420278357 192197983 /nfs/dbraw/zinc/19/79/83/192197983.db2.gz IZZSFAAITUELEW-UWVGGRQHSA-N 2 1 245.330 1.309 20 0 BDADMP CC[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422879793 192495238 /nfs/dbraw/zinc/49/52/38/192495238.db2.gz MQSDNPRRCZCQBO-PBWFPOADSA-N 2 1 239.407 1.589 20 0 BDADMP CC(C)OC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420286392 192201137 /nfs/dbraw/zinc/20/11/37/192201137.db2.gz GGHJIFLRGNKGQY-GFCCVEGCSA-N 2 1 244.379 1.633 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000420288585 192202005 /nfs/dbraw/zinc/20/20/05/192202005.db2.gz JINFUQCIUYNNCE-GFCCVEGCSA-N 2 1 228.336 1.045 20 0 BDADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)N1 ZINC000420291404 192202987 /nfs/dbraw/zinc/20/29/87/192202987.db2.gz KKZZKZYJTKNWOP-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000420291404 192202988 /nfs/dbraw/zinc/20/29/88/192202988.db2.gz KKZZKZYJTKNWOP-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313297 192213367 /nfs/dbraw/zinc/21/33/67/192213367.db2.gz XXCCETYGHHZHRA-KBPBESRZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313299 192213427 /nfs/dbraw/zinc/21/34/27/192213427.db2.gz XXCCETYGHHZHRA-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000639510226 356339978 /nfs/dbraw/zinc/33/99/78/356339978.db2.gz ZAINXVVUTKUQLV-FQUUOJAGSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000639510226 356339981 /nfs/dbraw/zinc/33/99/81/356339981.db2.gz ZAINXVVUTKUQLV-FQUUOJAGSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639510226 356339984 /nfs/dbraw/zinc/33/99/84/356339984.db2.gz ZAINXVVUTKUQLV-FQUUOJAGSA-N 2 1 240.391 1.826 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639510226 356339987 /nfs/dbraw/zinc/33/99/87/356339987.db2.gz ZAINXVVUTKUQLV-FQUUOJAGSA-N 2 1 240.391 1.826 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340606 192216824 /nfs/dbraw/zinc/21/68/24/192216824.db2.gz MVURAPPUBVWRMQ-KGLIPLIRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349705 192217960 /nfs/dbraw/zinc/21/79/60/192217960.db2.gz DRFJXNPPYPHVBS-JOYOIKCWSA-N 2 1 226.295 1.138 20 0 BDADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349705 192217964 /nfs/dbraw/zinc/21/79/64/192217964.db2.gz DRFJXNPPYPHVBS-JOYOIKCWSA-N 2 1 226.295 1.138 20 0 BDADMP C[N@@H+](CCCC1CCCC1)C[C@@H](O)C[NH3+] ZINC000420349889 192217970 /nfs/dbraw/zinc/21/79/70/192217970.db2.gz FASDOHMFSVCHHX-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP C[N@@H+](Cc1cccc(C(F)F)c1)C[C@@H](O)C[NH3+] ZINC000420351518 192218410 /nfs/dbraw/zinc/21/84/10/192218410.db2.gz KKMJRZPEENBVRX-NSHDSACASA-N 2 1 244.285 1.376 20 0 BDADMP C[N@H+](Cc1cccc(C(F)F)c1)C[C@@H](O)C[NH3+] ZINC000420351518 192218413 /nfs/dbraw/zinc/21/84/13/192218413.db2.gz KKMJRZPEENBVRX-NSHDSACASA-N 2 1 244.285 1.376 20 0 BDADMP COc1cccc([C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350064 192218436 /nfs/dbraw/zinc/21/84/36/192218436.db2.gz FQWUQBBVLURMRK-JQWIXIFHSA-N 2 1 238.331 1.008 20 0 BDADMP CC(C)OCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420356964 192218636 /nfs/dbraw/zinc/21/86/36/192218636.db2.gz DAELSVUNYOXPKQ-GRYCIOLGSA-N 2 1 214.353 1.388 20 0 BDADMP CC[C@]1(C)CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000420304417 192208965 /nfs/dbraw/zinc/20/89/65/192208965.db2.gz OLKXPNORCJEGGY-CQSZACIVSA-N 2 1 239.407 1.404 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420311980 192209924 /nfs/dbraw/zinc/20/99/24/192209924.db2.gz HKENCBHXMRQWRC-OLZOCXBDSA-N 2 1 248.374 1.589 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420309425 192211174 /nfs/dbraw/zinc/21/11/74/192211174.db2.gz LKJXFYDFEIJAPC-NSHDSACASA-N 2 1 228.336 1.014 20 0 BDADMP COC(=O)CC1(C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000420310192 192211319 /nfs/dbraw/zinc/21/13/19/192211319.db2.gz FWDCHYVYRAHCRT-GFCCVEGCSA-N 2 1 240.347 1.000 20 0 BDADMP COC(=O)CC1(C[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000420310192 192211321 /nfs/dbraw/zinc/21/13/21/192211321.db2.gz FWDCHYVYRAHCRT-GFCCVEGCSA-N 2 1 240.347 1.000 20 0 BDADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[NH3+])CC1 ZINC000420366476 192225799 /nfs/dbraw/zinc/22/57/99/192225799.db2.gz FWUIOVLJAOVTEG-LLVKDONJSA-N 2 1 239.388 1.385 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@@H](C)N)C1 ZINC000420368302 192225896 /nfs/dbraw/zinc/22/58/96/192225896.db2.gz HZRANFRFSVIBJV-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CCC[C@](C)([NH2+]CC[C@H]1CC[NH2+]C1)C(=O)OC ZINC000420368236 192226402 /nfs/dbraw/zinc/22/64/02/192226402.db2.gz HUQMHBMAIYVYBR-YPMHNXCESA-N 2 1 242.363 1.307 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCCc2ccncc2)C1 ZINC000420321444 192227339 /nfs/dbraw/zinc/22/73/39/192227339.db2.gz VEBUIDVIILBPFB-CQSZACIVSA-N 2 1 233.359 1.685 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420371107 192227855 /nfs/dbraw/zinc/22/78/55/192227855.db2.gz ZMJZBMRIZOIJJV-RYUDHWBXSA-N 2 1 242.363 1.117 20 0 BDADMP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420357690 192219087 /nfs/dbraw/zinc/21/90/87/192219087.db2.gz SLLCRVMFVPKMCD-QWHCGFSZSA-N 2 1 222.332 1.389 20 0 BDADMP CCC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420355724 192220031 /nfs/dbraw/zinc/22/00/31/192220031.db2.gz FQQUDZPKYAMPKE-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCSCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420358818 192222146 /nfs/dbraw/zinc/22/21/46/192222146.db2.gz JGTBMXVRBMIWSQ-VIFPVBQESA-N 2 1 204.383 1.703 20 0 BDADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359378 192222696 /nfs/dbraw/zinc/22/26/96/192222696.db2.gz VUNPQNIZZWRGDX-OLZOCXBDSA-N 2 1 240.322 1.528 20 0 BDADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@@H](C)[NH3+])CC2 ZINC000420361633 192222768 /nfs/dbraw/zinc/22/27/68/192222768.db2.gz NNLPOXNBEMWPNA-UPJWGTAASA-N 2 1 225.380 1.281 20 0 BDADMP Cc1cccc([C@H]2CCC[N@H+]2CCC[NH3+])n1 ZINC000580408877 358502463 /nfs/dbraw/zinc/50/24/63/358502463.db2.gz DNPVEUSEDOQGRC-CYBMUJFWSA-N 2 1 219.332 1.876 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000420363805 192224700 /nfs/dbraw/zinc/22/47/00/192224700.db2.gz JURQPVFSVKDNII-LPWJVIDDSA-N 2 1 226.364 1.532 20 0 BDADMP CCCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420386929 192235131 /nfs/dbraw/zinc/23/51/31/192235131.db2.gz VICRWEVPYJQCKY-GFCCVEGCSA-N 2 1 237.351 1.174 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420413211 192240248 /nfs/dbraw/zinc/24/02/48/192240248.db2.gz SUWUCASPQRCLGQ-MCIONIFRSA-N 2 1 239.407 1.293 20 0 BDADMP [NH3+]CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420414081 192241418 /nfs/dbraw/zinc/24/14/18/192241418.db2.gz UIMOMDSHLLSLCG-JSGCOSHPSA-N 2 1 234.343 1.703 20 0 BDADMP COCC1(C)CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000420374607 192231134 /nfs/dbraw/zinc/23/11/34/192231134.db2.gz OFNOOMRAOXVSAD-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420376707 192231314 /nfs/dbraw/zinc/23/13/14/192231314.db2.gz QZEZZNFWDSGFKE-NWDGAFQWSA-N 2 1 234.347 1.546 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420380663 192232963 /nfs/dbraw/zinc/23/29/63/192232963.db2.gz YNECDMJKUGVTSC-FRRDWIJNSA-N 2 1 228.380 1.778 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420377561 192233483 /nfs/dbraw/zinc/23/34/83/192233483.db2.gz SNHMBRHWTRQRQO-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP COC(=O)CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380281 192233760 /nfs/dbraw/zinc/23/37/60/192233760.db2.gz RLTMSQAJSNKDNN-ZDUSSCGKSA-N 2 1 240.347 1.015 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420380281 192233762 /nfs/dbraw/zinc/23/37/62/192233762.db2.gz RLTMSQAJSNKDNN-ZDUSSCGKSA-N 2 1 240.347 1.015 20 0 BDADMP c1c[nH]c([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420378402 192233964 /nfs/dbraw/zinc/23/39/64/192233964.db2.gz UBWANCZCPXKLTB-CHWSQXEVSA-N 2 1 248.374 1.936 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192857480 356465005 /nfs/dbraw/zinc/46/50/05/356465005.db2.gz AXQYLDDBVQWUAS-WTUNAVPPSA-N 2 1 240.391 1.608 20 0 BDADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@H](C)O ZINC000352220011 134108835 /nfs/dbraw/zinc/10/88/35/134108835.db2.gz GGZSCDVHKHFAHF-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCCOC1 ZINC000352219649 134109080 /nfs/dbraw/zinc/10/90/80/134109080.db2.gz DYPNYUYURQFXKW-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCOC1 ZINC000352219649 134109081 /nfs/dbraw/zinc/10/90/81/134109081.db2.gz DYPNYUYURQFXKW-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000352219649 134109082 /nfs/dbraw/zinc/10/90/82/134109082.db2.gz DYPNYUYURQFXKW-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CCO)c1ccco1 ZINC000639590109 356512207 /nfs/dbraw/zinc/51/22/07/356512207.db2.gz WDCIOXRFWZPUAZ-LBPRGKRZSA-N 2 1 249.314 1.269 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000639614038 356532267 /nfs/dbraw/zinc/53/22/67/356532267.db2.gz WVECLRMKZJGYMM-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCc2cncn2C)[C@H](C)C1 ZINC000639623873 356543607 /nfs/dbraw/zinc/54/36/07/356543607.db2.gz AGSZXWPNWQPFRE-DGCLKSJQSA-N 2 1 237.347 1.462 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000420927997 192286976 /nfs/dbraw/zinc/28/69/76/192286976.db2.gz AZEKRIYJDHKEJT-MQYQWHSLSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000420927997 192286978 /nfs/dbraw/zinc/28/69/78/192286978.db2.gz AZEKRIYJDHKEJT-MQYQWHSLSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000420927997 192286980 /nfs/dbraw/zinc/28/69/80/192286980.db2.gz AZEKRIYJDHKEJT-MQYQWHSLSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H]1OCC[C@@]1(C)[NH2+]CCc1c[nH+]cn1C ZINC000639633764 356548026 /nfs/dbraw/zinc/54/80/26/356548026.db2.gz QYIZSPVOFIIYRX-ZYHUDNBSSA-N 2 1 223.320 1.120 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1NCC[NH+]1CCCC1(C)C ZINC000449784195 202034981 /nfs/dbraw/zinc/03/49/81/202034981.db2.gz VWYCPPMEVAFTBD-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC[NH+]1CCCC1(C)C ZINC000449784195 202034985 /nfs/dbraw/zinc/03/49/85/202034985.db2.gz VWYCPPMEVAFTBD-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NCC[N@@H+]1CCCC1(C)C ZINC000449784195 202034987 /nfs/dbraw/zinc/03/49/87/202034987.db2.gz VWYCPPMEVAFTBD-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000449784195 202034989 /nfs/dbraw/zinc/03/49/89/202034989.db2.gz VWYCPPMEVAFTBD-CHWSQXEVSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397688077 363475072 /nfs/dbraw/zinc/47/50/72/363475072.db2.gz XVFPZKGZWGHPSP-UJPOAAIJSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397688077 363475078 /nfs/dbraw/zinc/47/50/78/363475078.db2.gz XVFPZKGZWGHPSP-UJPOAAIJSA-N 2 1 208.349 1.715 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H]2CC[NH2+]C2)C[C@@H]1OC ZINC000422942760 192512168 /nfs/dbraw/zinc/51/21/68/192512168.db2.gz PYVMAUMXSXSQDZ-TUAOUCFPSA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@H]1CC[N@@H+](CCc2cncn2C)C[C@@H]1C ZINC000639663565 356577420 /nfs/dbraw/zinc/57/74/20/356577420.db2.gz PRAIOJIRXZRCNN-AAEUAGOBSA-N 2 1 237.347 1.319 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+]1CCCC1 ZINC000422962878 192527145 /nfs/dbraw/zinc/52/71/45/192527145.db2.gz GXVGATFUECMVFM-KGLIPLIRSA-N 3 1 241.423 1.968 20 0 BDADMP C[N@H+]1CCN(Cc2ncc[nH]2)C[C@@H]1C(C)(C)C ZINC000639747160 356642143 /nfs/dbraw/zinc/64/21/43/356642143.db2.gz FMRLHJUTXHLETK-LLVKDONJSA-N 2 1 236.363 1.572 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC000639756621 356662144 /nfs/dbraw/zinc/66/21/44/356662144.db2.gz ZFURGHBTFGRJRK-UHFFFAOYSA-N 2 1 246.358 1.394 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](CCCCO)C2)CC1 ZINC000639756979 356663844 /nfs/dbraw/zinc/66/38/44/356663844.db2.gz BMHPRXIHLMKBNK-UHFFFAOYSA-N 2 1 226.364 1.177 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754664 356657051 /nfs/dbraw/zinc/65/70/51/356657051.db2.gz DGWJVXOTIJFQEY-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000168121626 134156122 /nfs/dbraw/zinc/15/61/22/134156122.db2.gz ASUCNIZRSZTFMQ-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C(C)(F)F ZINC000389451228 356675876 /nfs/dbraw/zinc/67/58/76/356675876.db2.gz SUZUAYAXGMZTBW-BDAKNGLRSA-N 2 1 224.295 1.374 20 0 BDADMP CC(C)=CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761531 356677410 /nfs/dbraw/zinc/67/74/10/356677410.db2.gz GELUBXGINJVSRD-AWEZNQCLSA-N 2 1 240.391 1.731 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCCCF)C1 ZINC000639769381 356708608 /nfs/dbraw/zinc/70/86/08/356708608.db2.gz YEZJJRWSHVZPKB-CYBMUJFWSA-N 2 1 246.370 1.515 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335650 356722261 /nfs/dbraw/zinc/72/22/61/356722261.db2.gz WYAHGMJBAQCEHT-GFCCVEGCSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000450462519 202173513 /nfs/dbraw/zinc/17/35/13/202173513.db2.gz HAVIEJWDPDRLDE-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000450462519 202173516 /nfs/dbraw/zinc/17/35/16/202173516.db2.gz HAVIEJWDPDRLDE-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000450462519 202173518 /nfs/dbraw/zinc/17/35/18/202173518.db2.gz HAVIEJWDPDRLDE-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CN1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000020128712 356998747 /nfs/dbraw/zinc/99/87/47/356998747.db2.gz NSJLMALXWWCSGT-UHFFFAOYSA-N 2 1 239.407 1.546 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000168568121 357028235 /nfs/dbraw/zinc/02/82/35/357028235.db2.gz HFNDQTUVSPPCSD-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000020205756 357001202 /nfs/dbraw/zinc/00/12/02/357001202.db2.gz LCHIJWOPJBHYNM-YPMHNXCESA-N 2 1 226.364 1.628 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC1(C)C ZINC000389853179 357054461 /nfs/dbraw/zinc/05/44/61/357054461.db2.gz YGXNWZXDRNUNQI-NSHDSACASA-N 2 1 207.321 1.741 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623396478 357020881 /nfs/dbraw/zinc/02/08/81/357020881.db2.gz TWVNGFFVWZHKAS-VXGBXAGGSA-N 2 1 228.380 1.874 20 0 BDADMP CCCc1[nH+]ccn1C[C@H](O)C[N@H+](C)CC ZINC000390618867 357107205 /nfs/dbraw/zinc/10/72/05/357107205.db2.gz DZJXKTCFRZSJPH-LLVKDONJSA-N 2 1 225.336 1.148 20 0 BDADMP CCCc1[nH+]ccn1C[C@H](O)C[N@@H+](C)CC ZINC000390618867 357107206 /nfs/dbraw/zinc/10/72/06/357107206.db2.gz DZJXKTCFRZSJPH-LLVKDONJSA-N 2 1 225.336 1.148 20 0 BDADMP CCCC[N@@H+](C[C@@H](O)CN(C)CC)C1CC1 ZINC000390652651 357109235 /nfs/dbraw/zinc/10/92/35/357109235.db2.gz NWPYUKUCHHHWRZ-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000390652651 357109237 /nfs/dbraw/zinc/10/92/37/357109237.db2.gz NWPYUKUCHHHWRZ-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CCCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000390652651 357109239 /nfs/dbraw/zinc/10/92/39/357109239.db2.gz NWPYUKUCHHHWRZ-ZDUSSCGKSA-N 2 1 228.380 1.564 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000389971637 357075532 /nfs/dbraw/zinc/07/55/32/357075532.db2.gz CISAFUFOWDBYMA-KKOKHZNYSA-N 2 1 214.353 1.482 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000389971637 357075537 /nfs/dbraw/zinc/07/55/37/357075537.db2.gz CISAFUFOWDBYMA-KKOKHZNYSA-N 2 1 214.353 1.482 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000665283034 491107852 /nfs/dbraw/zinc/10/78/52/491107852.db2.gz GLDNGFHPKLHVFB-HBNTYKKESA-N 3 1 201.358 1.075 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000393337400 357281311 /nfs/dbraw/zinc/28/13/11/357281311.db2.gz UIRILFSMGCTAND-IHRRRGAJSA-N 2 1 240.391 1.469 20 0 BDADMP COCCCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000393774298 357298636 /nfs/dbraw/zinc/29/86/36/357298636.db2.gz WJQOGFCUNCMYQY-GFCCVEGCSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000628425449 357252902 /nfs/dbraw/zinc/25/29/02/357252902.db2.gz LIKXJDGTMGZRIH-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)CC[N@H+]1C ZINC000230410480 357539939 /nfs/dbraw/zinc/53/99/39/357539939.db2.gz CQDAVWVYTDAKPF-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1CO ZINC000190864250 357728128 /nfs/dbraw/zinc/72/81/28/357728128.db2.gz MKNWXNBSLNWIGJ-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](CC)CC(C)(C)O ZINC000190568492 357715397 /nfs/dbraw/zinc/71/53/97/357715397.db2.gz YFVUCIAQNDHDML-UHFFFAOYSA-N 2 1 230.396 1.811 20 0 BDADMP C[N@H+](CC[NH2+]C1CCC(O)CC1)C1CCCC1 ZINC000234290306 357780056 /nfs/dbraw/zinc/78/00/56/357780056.db2.gz SOJOLUZBVVQDRR-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@@H+](CC[NH2+]C1CCC(O)CC1)C1CCCC1 ZINC000234290306 357780059 /nfs/dbraw/zinc/78/00/59/357780059.db2.gz SOJOLUZBVVQDRR-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086188779 357872619 /nfs/dbraw/zinc/87/26/19/357872619.db2.gz QAXLCMWWHXZUGT-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386584160 357940860 /nfs/dbraw/zinc/94/08/60/357940860.db2.gz PQXBOCBZUTXXTD-VXGBXAGGSA-N 2 1 228.380 1.658 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCF)CC1 ZINC000639989434 358029951 /nfs/dbraw/zinc/02/99/51/358029951.db2.gz FMQKQIJBTBPMRY-CYBMUJFWSA-N 2 1 246.370 1.371 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCF)CC1 ZINC000639989434 358029955 /nfs/dbraw/zinc/02/99/55/358029955.db2.gz FMQKQIJBTBPMRY-CYBMUJFWSA-N 2 1 246.370 1.371 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)C2CC2)CC1(C)C ZINC000623418116 358062142 /nfs/dbraw/zinc/06/21/42/358062142.db2.gz CGWKSIWNBXSCLN-NEPJUHHUSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000037502144 358077832 /nfs/dbraw/zinc/07/78/32/358077832.db2.gz YIZDWTSXOXYVPM-GFCCVEGCSA-N 2 1 246.358 1.990 20 0 BDADMP Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000037502144 358077836 /nfs/dbraw/zinc/07/78/36/358077836.db2.gz YIZDWTSXOXYVPM-GFCCVEGCSA-N 2 1 246.358 1.990 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@@H](C)C1 ZINC000631669178 358183247 /nfs/dbraw/zinc/18/32/47/358183247.db2.gz HIPINKUMHUPDSN-RVMXOQNASA-N 2 1 226.364 1.077 20 0 BDADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000584714658 358159816 /nfs/dbraw/zinc/15/98/16/358159816.db2.gz XCEHXZVMIWRQDO-NWDGAFQWSA-N 3 1 213.369 1.058 20 0 BDADMP C[C@H](O)CCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450646199 202221763 /nfs/dbraw/zinc/22/17/63/202221763.db2.gz QUHLDWSUFMFSGE-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])c(F)c1 ZINC000228737608 358384866 /nfs/dbraw/zinc/38/48/66/358384866.db2.gz PNKSCHIKWLLSBX-VIFPVBQESA-N 2 1 226.295 1.661 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000045107843 358401600 /nfs/dbraw/zinc/40/16/00/358401600.db2.gz KXKMGNGGPUYMPE-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP Cc1ccc(CC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000211429658 358447394 /nfs/dbraw/zinc/44/73/94/358447394.db2.gz OTQBYCYGCXSYOG-AWEZNQCLSA-N 2 1 218.344 1.818 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623427467 358436203 /nfs/dbraw/zinc/43/62/03/358436203.db2.gz AQOSHCUVERMWRB-WOPDTQHZSA-N 2 1 228.380 1.466 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C1CCCCC1 ZINC000047892486 358604951 /nfs/dbraw/zinc/60/49/51/358604951.db2.gz JTLRTISXQUBRFZ-UHFFFAOYSA-N 2 1 228.380 1.877 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000130188758 358612603 /nfs/dbraw/zinc/61/26/03/358612603.db2.gz DUOUJZMLKMRSAV-FPMFFAJLSA-N 2 1 248.374 1.698 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000130188758 358612604 /nfs/dbraw/zinc/61/26/04/358612604.db2.gz DUOUJZMLKMRSAV-FPMFFAJLSA-N 2 1 248.374 1.698 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccnc1 ZINC000049330100 358682759 /nfs/dbraw/zinc/68/27/59/358682759.db2.gz DAXFMPFIFOSYNM-NSHDSACASA-N 2 1 230.315 1.937 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)[C@H]2CC[NH2+]C2)c1 ZINC000214087524 358753336 /nfs/dbraw/zinc/75/33/36/358753336.db2.gz XHYLYEPLNHHMTC-LBPRGKRZSA-N 2 1 235.331 1.192 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)C2CC[NH2+]CC2)c1 ZINC000214134452 358759480 /nfs/dbraw/zinc/75/94/80/358759480.db2.gz UDSLOTOUYFZWRM-UHFFFAOYSA-N 2 1 249.358 1.582 20 0 BDADMP CCC[C@@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000050193468 358718675 /nfs/dbraw/zinc/71/86/75/358718675.db2.gz UNWUNVJMCCMEKS-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000050193468 358718676 /nfs/dbraw/zinc/71/86/76/358718676.db2.gz UNWUNVJMCCMEKS-CYBMUJFWSA-N 2 1 228.380 1.564 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)C(C)C ZINC000132390498 358720237 /nfs/dbraw/zinc/72/02/37/358720237.db2.gz IQOUSHBCBUTOIQ-ZDUSSCGKSA-N 2 1 239.363 1.578 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000219860207 134292212 /nfs/dbraw/zinc/29/22/12/134292212.db2.gz MFEHWYIUWSNTSR-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP OCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134886638 358810327 /nfs/dbraw/zinc/81/03/27/358810327.db2.gz FEQFXSJEBYBJMS-OCCSQVGLSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134886638 358810330 /nfs/dbraw/zinc/81/03/30/358810330.db2.gz FEQFXSJEBYBJMS-OCCSQVGLSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134886638 358810333 /nfs/dbraw/zinc/81/03/33/358810333.db2.gz FEQFXSJEBYBJMS-OCCSQVGLSA-N 2 1 238.375 1.318 20 0 BDADMP OCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134886638 358810335 /nfs/dbraw/zinc/81/03/35/358810335.db2.gz FEQFXSJEBYBJMS-OCCSQVGLSA-N 2 1 238.375 1.318 20 0 BDADMP CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134884687 358810374 /nfs/dbraw/zinc/81/03/74/358810374.db2.gz MBTYGOTXDJKUMA-YPMHNXCESA-N 2 1 208.349 1.955 20 0 BDADMP CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134884687 358810376 /nfs/dbraw/zinc/81/03/76/358810376.db2.gz MBTYGOTXDJKUMA-YPMHNXCESA-N 2 1 208.349 1.955 20 0 BDADMP CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134884687 358810377 /nfs/dbraw/zinc/81/03/77/358810377.db2.gz MBTYGOTXDJKUMA-YPMHNXCESA-N 2 1 208.349 1.955 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+]C(C)(C)C2)c1 ZINC000214355118 358778236 /nfs/dbraw/zinc/77/82/36/358778236.db2.gz NJEZBNUMHZXBBT-UHFFFAOYSA-N 2 1 249.358 1.582 20 0 BDADMP CCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000134163071 358782128 /nfs/dbraw/zinc/78/21/28/358782128.db2.gz NSTLMNNDCTXNQQ-UHFFFAOYSA-N 2 1 222.332 1.866 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000054111219 358853457 /nfs/dbraw/zinc/85/34/57/358853457.db2.gz IXZLIABVPNXCAQ-RDBSUJKOSA-N 2 1 241.423 1.645 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000054111219 358853458 /nfs/dbraw/zinc/85/34/58/358853458.db2.gz IXZLIABVPNXCAQ-RDBSUJKOSA-N 2 1 241.423 1.645 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000054111219 358853463 /nfs/dbraw/zinc/85/34/63/358853463.db2.gz IXZLIABVPNXCAQ-RDBSUJKOSA-N 2 1 241.423 1.645 20 0 BDADMP CCN1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403438 358967544 /nfs/dbraw/zinc/96/75/44/358967544.db2.gz KFHRKPBVUXIHDM-DGCLKSJQSA-N 2 1 225.380 1.330 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086403438 358967547 /nfs/dbraw/zinc/96/75/47/358967547.db2.gz KFHRKPBVUXIHDM-DGCLKSJQSA-N 3 1 225.380 1.330 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000246867378 359171071 /nfs/dbraw/zinc/17/10/71/359171071.db2.gz DFNMTJGADDDDHP-UPJWGTAASA-N 2 1 228.380 1.731 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423326121 192740640 /nfs/dbraw/zinc/74/06/40/192740640.db2.gz MEYLSLJUEXQJBB-KKOKHZNYSA-N 2 1 224.348 1.271 20 0 BDADMP CSCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248002166 359251342 /nfs/dbraw/zinc/25/13/42/359251342.db2.gz KNHOPYAVEAHOOQ-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CSCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248002166 359251347 /nfs/dbraw/zinc/25/13/47/359251347.db2.gz KNHOPYAVEAHOOQ-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP CSCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248002166 359251349 /nfs/dbraw/zinc/25/13/49/359251349.db2.gz KNHOPYAVEAHOOQ-VXGBXAGGSA-N 2 1 228.405 1.766 20 0 BDADMP COCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248177356 359257945 /nfs/dbraw/zinc/25/79/45/359257945.db2.gz VVVOQGMOJMVPQU-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248177356 359257951 /nfs/dbraw/zinc/25/79/51/359257951.db2.gz VVVOQGMOJMVPQU-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248177356 359257957 /nfs/dbraw/zinc/25/79/57/359257957.db2.gz VVVOQGMOJMVPQU-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]1 ZINC000379544419 359540357 /nfs/dbraw/zinc/54/03/57/359540357.db2.gz WMTDPAACGZENPX-XQHKEYJVSA-N 2 1 222.376 1.962 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322125908 259490057 /nfs/dbraw/zinc/49/00/57/259490057.db2.gz DAEGPAWLSMRJPH-CKYFFXLPSA-N 2 1 207.321 1.826 20 0 BDADMP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000450788922 202265588 /nfs/dbraw/zinc/26/55/88/202265588.db2.gz DYUURIIISSXBIU-BETUJISGSA-N 2 1 249.358 1.281 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCOC1 ZINC000163288734 202351799 /nfs/dbraw/zinc/35/17/99/202351799.db2.gz HLBSECYRTHQGMQ-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CC1(C[NH2+]CC[N@@H+]2CCCC2(C)C)COC1 ZINC000451289168 202397104 /nfs/dbraw/zinc/39/71/04/202397104.db2.gz WTLNPAMOTVVLNE-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP CC1(C[NH2+]CC[N@H+]2CCCC2(C)C)COC1 ZINC000451289168 202397108 /nfs/dbraw/zinc/39/71/08/202397108.db2.gz WTLNPAMOTVVLNE-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC(C)(C)CO ZINC000451258923 202390520 /nfs/dbraw/zinc/39/05/20/202390520.db2.gz XCCRHEWLUQDAPM-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662562 360122248 /nfs/dbraw/zinc/12/22/48/360122248.db2.gz YDBSNLVOTKQDKL-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662562 360122253 /nfs/dbraw/zinc/12/22/53/360122253.db2.gz YDBSNLVOTKQDKL-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)CC[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666442 360122286 /nfs/dbraw/zinc/12/22/86/360122286.db2.gz BMAJCVXQBPTIEB-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)CC[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666442 360122287 /nfs/dbraw/zinc/12/22/87/360122287.db2.gz BMAJCVXQBPTIEB-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662564 360122365 /nfs/dbraw/zinc/12/23/65/360122365.db2.gz YDBSNLVOTKQDKL-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@H](C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662564 360122368 /nfs/dbraw/zinc/12/23/68/360122368.db2.gz YDBSNLVOTKQDKL-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CC[NH2+]CC1 ZINC000094024703 360294807 /nfs/dbraw/zinc/29/48/07/360294807.db2.gz LWYMMDPKWJPJQS-UHFFFAOYSA-N 3 1 239.407 1.404 20 0 BDADMP C[N@H+](CCCN1CCCC1)CC1CC[NH2+]CC1 ZINC000094024703 360294812 /nfs/dbraw/zinc/29/48/12/360294812.db2.gz LWYMMDPKWJPJQS-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP C[N@@H+](CCCN1CCCC1)CC1CC[NH2+]CC1 ZINC000094024703 360294816 /nfs/dbraw/zinc/29/48/16/360294816.db2.gz LWYMMDPKWJPJQS-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CCC2)CC[N@H+]1C ZINC000097928129 360382085 /nfs/dbraw/zinc/38/20/85/360382085.db2.gz VHLZMXIQTSRCKU-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414943084 200784619 /nfs/dbraw/zinc/78/46/19/200784619.db2.gz LJUFRBHWBFWJER-ZJUUUORDSA-N 2 1 210.296 1.866 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000156409902 360980359 /nfs/dbraw/zinc/98/03/59/360980359.db2.gz BBQUGFNZTFFXDB-LLVKDONJSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000629387529 361038931 /nfs/dbraw/zinc/03/89/31/361038931.db2.gz FADUVFGJIRCESI-UVLXDEKHSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000629406214 361053948 /nfs/dbraw/zinc/05/39/48/361053948.db2.gz KJIBACATHTXFAL-IINYFYTJSA-N 2 1 216.328 1.494 20 0 BDADMP FCC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000629502182 361102258 /nfs/dbraw/zinc/10/22/58/361102258.db2.gz UXIZGNYLTKUXRX-GFCCVEGCSA-N 2 1 230.327 1.046 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629509980 361104715 /nfs/dbraw/zinc/10/47/15/361104715.db2.gz DKTQBPIFSMCRTN-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP CCO[C@@H](C[N@H+]1CC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629509976 361104942 /nfs/dbraw/zinc/10/49/42/361104942.db2.gz DKTQBPIFSMCRTN-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccnc1N ZINC000629511864 361105854 /nfs/dbraw/zinc/10/58/54/361105854.db2.gz BQYZIYZYJBUTKF-GFCCVEGCSA-N 2 1 236.363 1.469 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccnc1N ZINC000629511864 361105856 /nfs/dbraw/zinc/10/58/56/361105856.db2.gz BQYZIYZYJBUTKF-GFCCVEGCSA-N 2 1 236.363 1.469 20 0 BDADMP CCO[C@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000629507458 361106080 /nfs/dbraw/zinc/10/60/80/361106080.db2.gz FNSFTQOWMMAWDW-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000629507458 361106083 /nfs/dbraw/zinc/10/60/83/361106083.db2.gz FNSFTQOWMMAWDW-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@H](C[N@@H+]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000629514101 361111411 /nfs/dbraw/zinc/11/14/11/361111411.db2.gz JQDIRZKMZFSYSJ-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000629514101 361111416 /nfs/dbraw/zinc/11/14/16/361111416.db2.gz JQDIRZKMZFSYSJ-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)C1CC1 ZINC000629530677 361145696 /nfs/dbraw/zinc/14/56/96/361145696.db2.gz NHXYJVDIIDJGRA-CHWSQXEVSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629525880 361126642 /nfs/dbraw/zinc/12/66/42/361126642.db2.gz FECOYQIYVAHWOS-ZDEQEGDKSA-N 2 1 225.380 1.199 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000629525879 361127049 /nfs/dbraw/zinc/12/70/49/361127049.db2.gz FECOYQIYVAHWOS-QNWHQSFQSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000622044334 370673260 /nfs/dbraw/zinc/67/32/60/370673260.db2.gz AXHKTUGPYNPKDT-GUBZILKMSA-N 2 1 208.309 1.216 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000622044302 370675521 /nfs/dbraw/zinc/67/55/21/370675521.db2.gz AKPCBVHBDVZPCD-UWVGGRQHSA-N 2 1 222.336 1.217 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2cccnc2N)C[C@@H]1C[NH3+] ZINC000629538995 361405181 /nfs/dbraw/zinc/40/51/81/361405181.db2.gz QQRVNNAUNGOZDJ-PWSUYJOCSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnc2N)C[C@@H]1C[NH3+] ZINC000629538995 361405188 /nfs/dbraw/zinc/40/51/88/361405188.db2.gz QQRVNNAUNGOZDJ-PWSUYJOCSA-N 2 1 234.347 1.081 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000579341862 366761608 /nfs/dbraw/zinc/76/16/08/366761608.db2.gz BYUVYRCQVJHCNQ-JTQLQIEISA-N 2 1 225.311 1.871 20 0 BDADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543904 361412831 /nfs/dbraw/zinc/41/28/31/361412831.db2.gz DBJGKTGJFVENPO-XQQFMLRXSA-N 2 1 236.363 1.248 20 0 BDADMP CCC[N@@H+](C)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000429629961 201123909 /nfs/dbraw/zinc/12/39/09/201123909.db2.gz WQJZZORTBMQVJI-GFCCVEGCSA-N 2 1 243.395 1.160 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000629534721 361408551 /nfs/dbraw/zinc/40/85/51/361408551.db2.gz AYTVTPFZCVZAMX-RYUDHWBXSA-N 2 1 228.380 1.765 20 0 BDADMP C[N@H+]1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629551809 361444087 /nfs/dbraw/zinc/44/40/87/361444087.db2.gz XSHMJWSYGFSMPP-GLQYFDAESA-N 2 1 245.370 1.815 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430111935 201144993 /nfs/dbraw/zinc/14/49/93/201144993.db2.gz APMCJQUPOYXZTR-JHJVBQTASA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430111935 201144995 /nfs/dbraw/zinc/14/49/95/201144995.db2.gz APMCJQUPOYXZTR-JHJVBQTASA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430111935 201144998 /nfs/dbraw/zinc/14/49/98/201144998.db2.gz APMCJQUPOYXZTR-JHJVBQTASA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542449 361419055 /nfs/dbraw/zinc/41/90/55/361419055.db2.gz ZPBHJIFWRXLNSG-NTZNESFSSA-N 2 1 222.332 1.941 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381612540 361495612 /nfs/dbraw/zinc/49/56/12/361495612.db2.gz VDKILQONIFRALA-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381612540 361495619 /nfs/dbraw/zinc/49/56/19/361495619.db2.gz VDKILQONIFRALA-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP Cc1ccc(F)cc1C[N@@H+](C)CCOCC[NH3+] ZINC000629578605 361464785 /nfs/dbraw/zinc/46/47/85/361464785.db2.gz UBOARJOTIXYEKS-UHFFFAOYSA-N 2 1 240.322 1.541 20 0 BDADMP CC[C@@H](CC(F)F)C[N@@H+](C)CCOCC[NH3+] ZINC000629581234 361471580 /nfs/dbraw/zinc/47/15/80/361471580.db2.gz SIQYRNDDBDBOQZ-JTQLQIEISA-N 2 1 238.322 1.575 20 0 BDADMP COCC[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585218 361474456 /nfs/dbraw/zinc/47/44/56/361474456.db2.gz NODJVGCPFNRYPL-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561332 361456258 /nfs/dbraw/zinc/45/62/58/361456258.db2.gz ILSWGWYMEDFHDR-HTQZYQBOSA-N 2 1 210.243 1.465 20 0 BDADMP CC(C)OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152397253 201198211 /nfs/dbraw/zinc/19/82/11/201198211.db2.gz USTGTXPBCKNWGD-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP CC(C)OCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152397253 201198214 /nfs/dbraw/zinc/19/82/14/201198214.db2.gz USTGTXPBCKNWGD-ZDUSSCGKSA-N 2 1 228.380 1.685 20 0 BDADMP [NH3+][C@@H](C[NH2+]CC1=Cc2ccccc2OC1)C1CC1 ZINC000629647727 361537782 /nfs/dbraw/zinc/53/77/82/361537782.db2.gz GPDGVGRJRJXZFH-AWEZNQCLSA-N 2 1 244.338 1.789 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CC1=CCCOC1)C1CCCC1 ZINC000629648585 361542387 /nfs/dbraw/zinc/54/23/87/361542387.db2.gz RREUVKXGFNHVLP-CYBMUJFWSA-N 2 1 224.348 1.440 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(C)(C)O ZINC000448547606 201205859 /nfs/dbraw/zinc/20/58/59/201205859.db2.gz YRXHKYJOMVRMMR-LLVKDONJSA-N 2 1 239.363 1.673 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(C)(C)O ZINC000448547606 201205862 /nfs/dbraw/zinc/20/58/62/201205862.db2.gz YRXHKYJOMVRMMR-LLVKDONJSA-N 2 1 239.363 1.673 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000448547607 201206340 /nfs/dbraw/zinc/20/63/40/201206340.db2.gz YRXHKYJOMVRMMR-NSHDSACASA-N 2 1 239.363 1.673 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(C)(C)O ZINC000448547607 201206344 /nfs/dbraw/zinc/20/63/44/201206344.db2.gz YRXHKYJOMVRMMR-NSHDSACASA-N 2 1 239.363 1.673 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000629652171 361549596 /nfs/dbraw/zinc/54/95/96/361549596.db2.gz XIPYMGUOWLAXEZ-LSDHHAIUSA-N 2 1 247.386 1.989 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)CC[N@H+]1C ZINC000153100428 201219647 /nfs/dbraw/zinc/21/96/47/201219647.db2.gz WRECUQSEKWUBPY-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP CCOCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000161908258 201241797 /nfs/dbraw/zinc/24/17/97/201241797.db2.gz NKUDENWXOTXFOW-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP COCC[N@H+](C)CCC[NH2+][C@H](C)C(C)C ZINC000153743401 201248827 /nfs/dbraw/zinc/24/88/27/201248827.db2.gz BGSYTZWKNXCWIP-GFCCVEGCSA-N 2 1 216.369 1.589 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C(C)C ZINC000153743401 201248830 /nfs/dbraw/zinc/24/88/30/201248830.db2.gz BGSYTZWKNXCWIP-GFCCVEGCSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C1CC1 ZINC000153790171 201250925 /nfs/dbraw/zinc/25/09/25/201250925.db2.gz CLRDALRXHOINON-CYBMUJFWSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1=CCCOC1 ZINC000379746207 361643859 /nfs/dbraw/zinc/64/38/59/361643859.db2.gz BSVIUDNCAYNCLY-ZYHUDNBSSA-N 2 1 210.321 1.145 20 0 BDADMP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000435395514 201268903 /nfs/dbraw/zinc/26/89/03/201268903.db2.gz TUTIHUOZBYKCQA-UONOGXRCSA-N 3 1 239.407 1.450 20 0 BDADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000435395514 201268907 /nfs/dbraw/zinc/26/89/07/201268907.db2.gz TUTIHUOZBYKCQA-UONOGXRCSA-N 3 1 239.407 1.450 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)CC)[C@@H](C)C1 ZINC000154510849 201281056 /nfs/dbraw/zinc/28/10/56/201281056.db2.gz TUAWICSCQYWHFH-AVGNSLFASA-N 2 1 228.380 1.467 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000435875137 201292076 /nfs/dbraw/zinc/29/20/76/201292076.db2.gz QLWBNDJQRTUTGV-CYBMUJFWSA-N 2 1 236.363 1.438 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000435875137 201292080 /nfs/dbraw/zinc/29/20/80/201292080.db2.gz QLWBNDJQRTUTGV-CYBMUJFWSA-N 2 1 236.363 1.438 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000435868941 201289636 /nfs/dbraw/zinc/28/96/36/201289636.db2.gz HOSQNVLZYGYDJR-CQSZACIVSA-N 2 1 236.359 1.651 20 0 BDADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154330891 201275000 /nfs/dbraw/zinc/27/50/00/201275000.db2.gz KTRHFMIGESMPFM-RWMBFGLXSA-N 2 1 230.396 1.713 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH2+]C)[C@@H](C)C1 ZINC000435881906 201295569 /nfs/dbraw/zinc/29/55/69/201295569.db2.gz WNMPXXJPTYCTDH-QWHCGFSZSA-N 2 1 227.396 1.258 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000580514357 364776716 /nfs/dbraw/zinc/77/67/16/364776716.db2.gz NPXYLMYZZFUHDW-OLZOCXBDSA-N 2 1 228.380 1.685 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)CC(C)(C)C[NH3+] ZINC000328191095 364817086 /nfs/dbraw/zinc/81/70/86/364817086.db2.gz PKWHZRJNKJCTCF-NWDGAFQWSA-N 2 1 228.380 1.454 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000573641230 364882231 /nfs/dbraw/zinc/88/22/31/364882231.db2.gz HPAJNSDRJLUCST-BFHYXJOUSA-N 2 1 240.391 1.421 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000335007724 541419342 /nfs/dbraw/zinc/41/93/42/541419342.db2.gz IQOXLROMUQNURM-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000574164483 364999579 /nfs/dbraw/zinc/99/95/79/364999579.db2.gz LHTVZHUHPLGZFW-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@H]1C[N@@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000574807134 365147307 /nfs/dbraw/zinc/14/73/07/365147307.db2.gz PMAJDCLDVZDZIC-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP CC[C@H]1C[NH+](C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000574807134 365147311 /nfs/dbraw/zinc/14/73/11/365147311.db2.gz PMAJDCLDVZDZIC-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443070176 193012250 /nfs/dbraw/zinc/01/22/50/193012250.db2.gz KUSGPTVZBVOCLG-LBPRGKRZSA-N 2 1 233.359 1.830 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000379855683 365319777 /nfs/dbraw/zinc/31/97/77/365319777.db2.gz BYIWUNWEWSNLMF-JQWIXIFHSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000379855683 365319780 /nfs/dbraw/zinc/31/97/80/365319780.db2.gz BYIWUNWEWSNLMF-JQWIXIFHSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000379855683 365319782 /nfs/dbraw/zinc/31/97/82/365319782.db2.gz BYIWUNWEWSNLMF-JQWIXIFHSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000379855683 365319785 /nfs/dbraw/zinc/31/97/85/365319785.db2.gz BYIWUNWEWSNLMF-JQWIXIFHSA-N 2 1 214.353 1.029 20 0 BDADMP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000579580988 366886783 /nfs/dbraw/zinc/88/67/83/366886783.db2.gz LTLHOGHNKICRKT-VXGBXAGGSA-N 2 1 227.396 1.304 20 0 BDADMP CC(C)[N@@H+](C)CC1CCN(CC(C)(C)[NH3+])CC1 ZINC000575802495 365367748 /nfs/dbraw/zinc/36/77/48/365367748.db2.gz KYKDMZQLEIROPR-UHFFFAOYSA-N 2 1 241.423 1.776 20 0 BDADMP CC(C)[N@H+](C)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000575802495 365367756 /nfs/dbraw/zinc/36/77/56/365367756.db2.gz KYKDMZQLEIROPR-UHFFFAOYSA-N 3 1 241.423 1.776 20 0 BDADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000575802495 365367761 /nfs/dbraw/zinc/36/77/61/365367761.db2.gz KYKDMZQLEIROPR-UHFFFAOYSA-N 3 1 241.423 1.776 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc(-n2cncn2)cc1 ZINC000579592225 366897234 /nfs/dbraw/zinc/89/72/34/366897234.db2.gz JMDZTHIPWFTKII-UHFFFAOYSA-N 2 1 245.330 1.048 20 0 BDADMP CCc1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000576164187 365506157 /nfs/dbraw/zinc/50/61/57/365506157.db2.gz OEMRQVJNFFTZTN-TXEJJXNPSA-N 2 1 249.358 1.668 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000580963192 367220861 /nfs/dbraw/zinc/22/08/61/367220861.db2.gz OXYGDDSFEHQXJP-OLZOCXBDSA-N 2 1 227.396 1.576 20 0 BDADMP CCC[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000380358991 367191348 /nfs/dbraw/zinc/19/13/48/367191348.db2.gz XNMPMSFBRQAWFL-UHFFFAOYSA-N 2 1 214.328 1.953 20 0 BDADMP C[C@@H]1[C@H](C)OCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000380534396 367231059 /nfs/dbraw/zinc/23/10/59/367231059.db2.gz MXDOHBTWURBMOE-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000380565364 367243781 /nfs/dbraw/zinc/24/37/81/367243781.db2.gz OJDMCLRZBCSMGE-YVECIDJPSA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@@H](O)CN(C)CC ZINC000381090980 367349864 /nfs/dbraw/zinc/34/98/64/367349864.db2.gz VCWPMAWRHJOMDV-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000381090980 367349868 /nfs/dbraw/zinc/34/98/68/367349868.db2.gz VCWPMAWRHJOMDV-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000381090980 367349875 /nfs/dbraw/zinc/34/98/75/367349875.db2.gz VCWPMAWRHJOMDV-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000381090980 367349880 /nfs/dbraw/zinc/34/98/80/367349880.db2.gz VCWPMAWRHJOMDV-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000381090980 367349886 /nfs/dbraw/zinc/34/98/86/367349886.db2.gz VCWPMAWRHJOMDV-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[C@](C[NH3+])([NH2+]C[C@@H]1CCCC[C@H]1O)C1CC1 ZINC000581375090 367406249 /nfs/dbraw/zinc/40/62/49/367406249.db2.gz NTLBFEPLGVNDGM-CYZMBNFOSA-N 2 1 226.364 1.255 20 0 BDADMP CCSCCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381237863 367368756 /nfs/dbraw/zinc/36/87/56/367368756.db2.gz LFAIWBANGGXAMQ-LBPRGKRZSA-N 2 1 246.420 1.174 20 0 BDADMP CCSCCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381237863 367368763 /nfs/dbraw/zinc/36/87/63/367368763.db2.gz LFAIWBANGGXAMQ-LBPRGKRZSA-N 2 1 246.420 1.174 20 0 BDADMP CN(Cc1nc(C(C)(C)N)no1)C(C)(C)C ZINC000382111941 367486769 /nfs/dbraw/zinc/48/67/69/367486769.db2.gz LBHYRZLXEWXEKQ-UHFFFAOYSA-N 2 1 226.324 1.494 20 0 BDADMP C[NH+]1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000381694392 367447085 /nfs/dbraw/zinc/44/70/85/367447085.db2.gz HDPNITNNKFYZRF-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccnc1 ZINC000382578390 367543538 /nfs/dbraw/zinc/54/35/38/367543538.db2.gz IHSLWZOBBATDHD-NSHDSACASA-N 2 1 219.332 1.874 20 0 BDADMP CCCC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000383768363 367653575 /nfs/dbraw/zinc/65/35/75/367653575.db2.gz MVRCAOIPWROEMW-ZDUSSCGKSA-N 2 1 240.391 1.611 20 0 BDADMP CCCC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000383768363 367653577 /nfs/dbraw/zinc/65/35/77/367653577.db2.gz MVRCAOIPWROEMW-ZDUSSCGKSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](O)CN(C)CC ZINC000384040959 367669870 /nfs/dbraw/zinc/66/98/70/367669870.db2.gz UPKZBWHLPOTIBU-RWMBFGLXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000384040959 367669874 /nfs/dbraw/zinc/66/98/74/367669874.db2.gz UPKZBWHLPOTIBU-RWMBFGLXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000384040959 367669884 /nfs/dbraw/zinc/66/98/84/367669884.db2.gz UPKZBWHLPOTIBU-RWMBFGLXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000384040959 367669890 /nfs/dbraw/zinc/66/98/90/367669890.db2.gz UPKZBWHLPOTIBU-RWMBFGLXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000384040959 367669893 /nfs/dbraw/zinc/66/98/93/367669893.db2.gz UPKZBWHLPOTIBU-RWMBFGLXSA-N 2 1 228.380 1.419 20 0 BDADMP CCCCOCC[N@@H+](C)C1CC([NH3+])C1 ZINC000384710043 367719664 /nfs/dbraw/zinc/71/96/64/367719664.db2.gz DEWLYVXFVZEPKG-UHFFFAOYSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000384806610 367735214 /nfs/dbraw/zinc/73/52/14/367735214.db2.gz ZRTZJYLSAFBIGC-QJPTWQEYSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000384806610 367735217 /nfs/dbraw/zinc/73/52/17/367735217.db2.gz ZRTZJYLSAFBIGC-QJPTWQEYSA-N 2 1 228.380 1.466 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000384910890 367756180 /nfs/dbraw/zinc/75/61/80/367756180.db2.gz BVIJSEVGJPSDRB-SMDDNHRTSA-N 2 1 233.359 1.807 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962693 367766621 /nfs/dbraw/zinc/76/66/21/367766621.db2.gz SIFVIQTYQHNOGB-RFGFWPKPSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](C)O1 ZINC000385224283 367810984 /nfs/dbraw/zinc/81/09/84/367810984.db2.gz SXHNDPGLPRQNQY-BJJPWKGXSA-N 2 1 238.375 1.769 20 0 BDADMP COc1ccc(CC[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000385051677 367780881 /nfs/dbraw/zinc/78/08/81/367780881.db2.gz SSVDIGAHMBAIBW-UHFFFAOYSA-N 2 1 234.343 1.659 20 0 BDADMP CC[NH+](CCC1CC1)C[C@H](O)C[N@@H+](C)CC ZINC000385369256 367823402 /nfs/dbraw/zinc/82/34/02/367823402.db2.gz NPHOGMIFZQOBMS-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CCC1CC1)C[C@H](O)C[N@H+](C)CC ZINC000385369256 367823404 /nfs/dbraw/zinc/82/34/04/367823404.db2.gz NPHOGMIFZQOBMS-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CCC1CC1 ZINC000385369256 367823407 /nfs/dbraw/zinc/82/34/07/367823407.db2.gz NPHOGMIFZQOBMS-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CCC1CC1 ZINC000385369256 367823409 /nfs/dbraw/zinc/82/34/09/367823409.db2.gz NPHOGMIFZQOBMS-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cn[nH]c1 ZINC000581860469 367848226 /nfs/dbraw/zinc/84/82/26/367848226.db2.gz PYGBTMOWGWBCHU-DGCLKSJQSA-N 2 1 236.363 1.935 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cn[nH]c1 ZINC000581860469 367848232 /nfs/dbraw/zinc/84/82/32/367848232.db2.gz PYGBTMOWGWBCHU-DGCLKSJQSA-N 2 1 236.363 1.935 20 0 BDADMP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(F)F ZINC000386196710 367927312 /nfs/dbraw/zinc/92/73/12/367927312.db2.gz JIRSJMXYGVHEOT-JTQLQIEISA-N 2 1 220.307 1.963 20 0 BDADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(F)F ZINC000386196710 367927317 /nfs/dbraw/zinc/92/73/17/367927317.db2.gz JIRSJMXYGVHEOT-JTQLQIEISA-N 2 1 220.307 1.963 20 0 BDADMP C[C@H]([NH2+]CCc1cccnc1)[C@@H]1CCCC[NH2+]1 ZINC000386543188 367988969 /nfs/dbraw/zinc/98/89/69/367988969.db2.gz DWAXDCUBWLUENN-JSGCOSHPSA-N 2 1 233.359 1.744 20 0 BDADMP CC(C)[N@H+](CC[C@H]1CC[NH2+]C1)CC(F)F ZINC000386517202 367983404 /nfs/dbraw/zinc/98/34/04/367983404.db2.gz DOXGRIAGAAKQHO-SNVBAGLBSA-N 2 1 220.307 1.962 20 0 BDADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)CC(F)F ZINC000386517202 367983406 /nfs/dbraw/zinc/98/34/06/367983406.db2.gz DOXGRIAGAAKQHO-SNVBAGLBSA-N 2 1 220.307 1.962 20 0 BDADMP C[C@H](C[NH3+])CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000441617703 201559864 /nfs/dbraw/zinc/55/98/64/201559864.db2.gz YHVIONWGFTWSNQ-YPMHNXCESA-N 2 1 249.358 1.000 20 0 BDADMP Cc1ccc([C@H](CNC(N)=[NH2+])[NH+]2CCCC2)o1 ZINC000066246473 368642489 /nfs/dbraw/zinc/64/24/89/368642489.db2.gz YUPUNKKQUAVJDH-JTQLQIEISA-N 2 1 236.319 1.208 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CCO[C@@H]1C ZINC000631820796 368968603 /nfs/dbraw/zinc/96/86/03/368968603.db2.gz GKJVSFFYYJKHGV-LOWDOPEQSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623809065 368956912 /nfs/dbraw/zinc/95/69/12/368956912.db2.gz OVAPKNITDVITSQ-SRVKXCTJSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657181 368997953 /nfs/dbraw/zinc/99/79/53/368997953.db2.gz KYKMQIYUBKZVCE-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000623655776 368991321 /nfs/dbraw/zinc/99/13/21/368991321.db2.gz FCVCHOGWKOABFT-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000631836831 369083821 /nfs/dbraw/zinc/08/38/21/369083821.db2.gz HQWKNAMIYXMLGD-BPLDGKMQSA-N 2 1 248.370 1.901 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000567639270 326236863 /nfs/dbraw/zinc/23/68/63/326236863.db2.gz CWJPRHIZPSVEQA-OLZOCXBDSA-N 3 1 227.396 1.352 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459436561 203279714 /nfs/dbraw/zinc/27/97/14/203279714.db2.gz XKQHVHXHRMCHBF-SMDDNHRTSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000402138839 369380076 /nfs/dbraw/zinc/38/00/76/369380076.db2.gz LITXSXRJVJBONK-NOOOWODRSA-N 2 1 212.337 1.284 20 0 BDADMP Cn1cncc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459727718 203341341 /nfs/dbraw/zinc/34/13/41/203341341.db2.gz HGIOEYAKCFXRSF-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP Cn1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459733571 203344692 /nfs/dbraw/zinc/34/46/92/203344692.db2.gz NWOFNMATPGDHIE-CYBMUJFWSA-N 2 1 235.375 1.847 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459734141 203347407 /nfs/dbraw/zinc/34/74/07/203347407.db2.gz OEQKSSDJLCEKOY-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000459736637 203347810 /nfs/dbraw/zinc/34/78/10/203347810.db2.gz QCSREBZNIGJZRA-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459734134 203348075 /nfs/dbraw/zinc/34/80/75/203348075.db2.gz OEQKSSDJLCEKOY-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166317371 203388402 /nfs/dbraw/zinc/38/84/02/203388402.db2.gz WMABSQNIQCQQLA-MGPQQGTHSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166317371 203388404 /nfs/dbraw/zinc/38/84/04/203388404.db2.gz WMABSQNIQCQQLA-MGPQQGTHSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166317371 203388408 /nfs/dbraw/zinc/38/84/08/203388408.db2.gz WMABSQNIQCQQLA-MGPQQGTHSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166317371 203388411 /nfs/dbraw/zinc/38/84/11/203388411.db2.gz WMABSQNIQCQQLA-MGPQQGTHSA-N 2 1 237.391 1.297 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C)C1CCCC1 ZINC000631862729 369583837 /nfs/dbraw/zinc/58/38/37/369583837.db2.gz SOPGTKWPPAPIQI-CYZMBNFOSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H]([NH3+])C[C@@H]1C)C1CCCC1 ZINC000631862729 369583841 /nfs/dbraw/zinc/58/38/41/369583841.db2.gz SOPGTKWPPAPIQI-CYZMBNFOSA-N 2 1 226.364 1.613 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000158222429 326312092 /nfs/dbraw/zinc/31/20/92/326312092.db2.gz BKWXRCHQOMCTIU-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(CC)CC1 ZINC000310462305 370346923 /nfs/dbraw/zinc/34/69/23/370346923.db2.gz BBFHWBQOFNYIJN-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000621774417 370519745 /nfs/dbraw/zinc/51/97/45/370519745.db2.gz SVERGSYBRVRYMZ-DGCLKSJQSA-N 2 1 236.363 1.115 20 0 BDADMP CCn1nccc1CC[N@H+](C)CC(C)(C)[NH3+] ZINC000621776234 370524475 /nfs/dbraw/zinc/52/44/75/370524475.db2.gz GPFVSONYWWQUMC-UHFFFAOYSA-N 2 1 224.352 1.115 20 0 BDADMP CCn1nccc1CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000621776234 370524477 /nfs/dbraw/zinc/52/44/77/370524477.db2.gz GPFVSONYWWQUMC-UHFFFAOYSA-N 2 1 224.352 1.115 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000621776148 370524729 /nfs/dbraw/zinc/52/47/29/370524729.db2.gz CYYOEAMDXIYCGY-VXGBXAGGSA-N 2 1 235.331 1.450 20 0 BDADMP CN1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776577 370526488 /nfs/dbraw/zinc/52/64/88/370526488.db2.gz PEGFCPZDYMHCSE-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000621778455 370527810 /nfs/dbraw/zinc/52/78/10/370527810.db2.gz PRGSGJBIICBQTF-KGLIPLIRSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000621778455 370527815 /nfs/dbraw/zinc/52/78/15/370527815.db2.gz PRGSGJBIICBQTF-KGLIPLIRSA-N 2 1 216.328 2.000 20 0 BDADMP CCCCOCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779303 370528359 /nfs/dbraw/zinc/52/83/59/370528359.db2.gz COTVNKOAGKRFOA-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP CCCCOCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779303 370528366 /nfs/dbraw/zinc/52/83/66/370528366.db2.gz COTVNKOAGKRFOA-QWHCGFSZSA-N 2 1 226.364 1.616 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000631890339 371005739 /nfs/dbraw/zinc/00/57/39/371005739.db2.gz OVQZZJZXNOCPCV-MGPQQGTHSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000631890339 371005744 /nfs/dbraw/zinc/00/57/44/371005744.db2.gz OVQZZJZXNOCPCV-MGPQQGTHSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122164 371322877 /nfs/dbraw/zinc/32/28/77/371322877.db2.gz LIXDBDKMRTXLPI-UONOGXRCSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122900 371325147 /nfs/dbraw/zinc/32/51/47/371325147.db2.gz AVLLPKVRGDJPOX-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP C/C=C/C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624199109 371389054 /nfs/dbraw/zinc/38/90/54/371389054.db2.gz GZIFMKLDYAKZIU-IBUXWKBASA-N 2 1 224.348 1.405 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000624309602 371471921 /nfs/dbraw/zinc/47/19/21/371471921.db2.gz RSMXPCCUVOPGBK-YIYPIFLZSA-N 2 1 240.391 1.731 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000228674885 372067279 /nfs/dbraw/zinc/06/72/79/372067279.db2.gz SLELGMBKDDXUQA-WDEREUQCSA-N 2 1 216.394 1.799 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C(F)F)CC[N@H+]1C ZINC000631697699 372510453 /nfs/dbraw/zinc/51/04/53/372510453.db2.gz OOMGPTHPWFIGNX-KXUCPTDWSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000631825662 372603385 /nfs/dbraw/zinc/60/33/85/372603385.db2.gz PRYDAARSQUYYAD-AVGNSLFASA-N 2 1 226.364 1.472 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822219 372584496 /nfs/dbraw/zinc/58/44/96/372584496.db2.gz WVOQBYIPPWCDDK-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631821375 372595389 /nfs/dbraw/zinc/59/53/89/372595389.db2.gz WJROGGZVZZHCAB-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000631826983 372606405 /nfs/dbraw/zinc/60/64/05/372606405.db2.gz BMFWTRJTNLYDKS-FPMFFAJLSA-N 2 1 240.391 1.909 20 0 BDADMP N[C@H]1CCCCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000631835087 372620870 /nfs/dbraw/zinc/62/08/70/372620870.db2.gz MBGFYLNQYAKIIX-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@H]1CCCCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000631835087 372620878 /nfs/dbraw/zinc/62/08/78/372620878.db2.gz MBGFYLNQYAKIIX-STQMWFEESA-N 2 1 225.380 1.189 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCC1 ZINC000631836521 372622774 /nfs/dbraw/zinc/62/27/74/372622774.db2.gz ARAIZMLESXEYJE-RAIGVLPGSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C[NH3+] ZINC000631836603 372625361 /nfs/dbraw/zinc/62/53/61/372625361.db2.gz CJXHFGCPMNXMFA-ZYHUDNBSSA-N 2 1 210.365 1.949 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000631837432 372627866 /nfs/dbraw/zinc/62/78/66/372627866.db2.gz BKCDLQUJDNBIOQ-QMTHXVAHSA-N 2 1 233.359 1.725 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838018 372631567 /nfs/dbraw/zinc/63/15/67/372631567.db2.gz YPUUUXODOLAQIK-MNOVXSKESA-N 2 1 235.331 1.117 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838018 372631573 /nfs/dbraw/zinc/63/15/73/372631573.db2.gz YPUUUXODOLAQIK-MNOVXSKESA-N 2 1 235.331 1.117 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000631842730 372640446 /nfs/dbraw/zinc/64/04/46/372640446.db2.gz DZZNPDQTGNRQCP-CMPLNLGQSA-N 2 1 222.307 1.852 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886226 372681336 /nfs/dbraw/zinc/68/13/36/372681336.db2.gz GAJFSZBAZIBHNG-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886226 372681342 /nfs/dbraw/zinc/68/13/42/372681342.db2.gz GAJFSZBAZIBHNG-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886228 372682919 /nfs/dbraw/zinc/68/29/19/372682919.db2.gz GAJFSZBAZIBHNG-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP C(C1CCOCC1)[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886228 372682925 /nfs/dbraw/zinc/68/29/25/372682925.db2.gz GAJFSZBAZIBHNG-UONOGXRCSA-N 2 1 238.375 1.487 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCO)[C@H](C)C1 ZINC000194220157 206005109 /nfs/dbraw/zinc/00/51/09/206005109.db2.gz BOWWEKUGLHGLBL-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459734496 206013433 /nfs/dbraw/zinc/01/34/33/206013433.db2.gz CMJJGXCPQQZYMX-RQJABVFESA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000167721410 206146661 /nfs/dbraw/zinc/14/66/61/206146661.db2.gz WNJWMHKEXONYRM-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CC[NH2+]CC2)C1 ZINC000178982240 134314114 /nfs/dbraw/zinc/31/41/14/134314114.db2.gz ZSQJRAWLMDALAN-CQSZACIVSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178982240 134314115 /nfs/dbraw/zinc/31/41/15/134314115.db2.gz ZSQJRAWLMDALAN-CQSZACIVSA-N 3 1 239.407 1.260 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178982240 134314116 /nfs/dbraw/zinc/31/41/16/134314116.db2.gz ZSQJRAWLMDALAN-CQSZACIVSA-N 3 1 239.407 1.260 20 0 BDADMP OCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000132298532 183067983 /nfs/dbraw/zinc/06/79/83/183067983.db2.gz REWYRPBOHJOMDU-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP OC[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000372885866 183115782 /nfs/dbraw/zinc/11/57/82/183115782.db2.gz WSXFNLNVDHHMIO-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP OC[C@H]1[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]12 ZINC000366439814 183132763 /nfs/dbraw/zinc/13/27/63/183132763.db2.gz OAHYETUKPKNJIX-WDNDVIMCSA-N 2 1 238.375 1.033 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC000336707418 169077286 /nfs/dbraw/zinc/07/72/86/169077286.db2.gz ORXNESXIJPMFSR-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336707418 169077287 /nfs/dbraw/zinc/07/72/87/169077287.db2.gz ORXNESXIJPMFSR-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336707418 169077289 /nfs/dbraw/zinc/07/72/89/169077289.db2.gz ORXNESXIJPMFSR-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC000336701869 169078653 /nfs/dbraw/zinc/07/86/53/169078653.db2.gz JYTVYSSVAOGTKD-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336701869 169078655 /nfs/dbraw/zinc/07/86/55/169078655.db2.gz JYTVYSSVAOGTKD-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336701869 169078656 /nfs/dbraw/zinc/07/86/56/169078656.db2.gz JYTVYSSVAOGTKD-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000336739000 169122617 /nfs/dbraw/zinc/12/26/17/169122617.db2.gz OQZSKHNNYMERLD-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000336739000 169122618 /nfs/dbraw/zinc/12/26/18/169122618.db2.gz OQZSKHNNYMERLD-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CCC[NH+](CC)CCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336739000 169122619 /nfs/dbraw/zinc/12/26/19/169122619.db2.gz OQZSKHNNYMERLD-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CCC[N@@H+](CC1CCOCC1)C1CC[NH2+]CC1 ZINC000052174653 169138440 /nfs/dbraw/zinc/13/84/40/169138440.db2.gz ZTEVERBPVMJTLC-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](C)CC1 ZINC000353138990 169196393 /nfs/dbraw/zinc/19/63/93/169196393.db2.gz NJMPMRPSESQCKJ-CQSZACIVSA-N 2 1 239.407 1.545 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000353137652 169199864 /nfs/dbraw/zinc/19/98/64/169199864.db2.gz MHQFUAJGNVJFNV-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000353137652 169199865 /nfs/dbraw/zinc/19/98/65/169199865.db2.gz MHQFUAJGNVJFNV-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000340420290 169206556 /nfs/dbraw/zinc/20/65/56/169206556.db2.gz WNRYWXICDGZYJV-ZDUSSCGKSA-N 2 1 248.374 1.607 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000340420290 169206558 /nfs/dbraw/zinc/20/65/58/169206558.db2.gz WNRYWXICDGZYJV-ZDUSSCGKSA-N 2 1 248.374 1.607 20 0 BDADMP c1ccc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994560 183392721 /nfs/dbraw/zinc/39/27/21/183392721.db2.gz CCUYKVBNXWUEKF-OAHLLOKOSA-N 2 1 230.355 1.915 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378756 169389451 /nfs/dbraw/zinc/38/94/51/169389451.db2.gz IVWHCQIKCFKMCA-GFCCVEGCSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000087646117 383856985 /nfs/dbraw/zinc/85/69/85/383856985.db2.gz ZCDKIOIWCDFYKT-VXGBXAGGSA-N 2 1 219.332 1.732 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169768 383868316 /nfs/dbraw/zinc/86/83/16/383868316.db2.gz NTCGGVFHTUSYOR-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055658 383973552 /nfs/dbraw/zinc/97/35/52/383973552.db2.gz JMGJTQBPYGUTDS-LPWJVIDDSA-N 2 1 224.348 1.238 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401787177 384004987 /nfs/dbraw/zinc/00/49/87/384004987.db2.gz LMTMTZNFLNGVDF-RYUDHWBXSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCCNC1)C1CC[NH+](C)CC1 ZINC000643545308 384012022 /nfs/dbraw/zinc/01/20/22/384012022.db2.gz YBJMMTYPBHGQTH-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643549178 384040120 /nfs/dbraw/zinc/04/01/20/384040120.db2.gz OXUOKQWMJIGKHA-ZBAXXZLZSA-N 2 1 248.374 1.757 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000569458642 384065865 /nfs/dbraw/zinc/06/58/65/384065865.db2.gz GQYARGMVSQQATI-AVGNSLFASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CO1 ZINC000401849814 384122354 /nfs/dbraw/zinc/12/23/54/384122354.db2.gz CIGPTHVGHQEWMC-MROQNXINSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CO1 ZINC000401849814 384122359 /nfs/dbraw/zinc/12/23/59/384122359.db2.gz CIGPTHVGHQEWMC-MROQNXINSA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000040773253 384163402 /nfs/dbraw/zinc/16/34/02/384163402.db2.gz UJSBAWCBQHPUEI-GFCCVEGCSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](CCOCC(F)(F)F)C1 ZINC000235391808 384186967 /nfs/dbraw/zinc/18/69/67/384186967.db2.gz DBPQUBHQUABHLN-VIFPVBQESA-N 2 1 240.269 1.236 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000235391808 384186971 /nfs/dbraw/zinc/18/69/71/384186971.db2.gz DBPQUBHQUABHLN-VIFPVBQESA-N 2 1 240.269 1.236 20 0 BDADMP CC(C)(C)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380651 384191055 /nfs/dbraw/zinc/19/10/55/384191055.db2.gz GOHXADCBROZQCI-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)(C)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380651 384191062 /nfs/dbraw/zinc/19/10/62/384191062.db2.gz GOHXADCBROZQCI-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CC[C@H]([NH3+])c1cn(CCCc2c[nH+]cn2C)nn1 ZINC000314642978 384198131 /nfs/dbraw/zinc/19/81/31/384198131.db2.gz FTIBHKVMZGJWNO-NSHDSACASA-N 2 1 248.334 1.054 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000401899548 384241137 /nfs/dbraw/zinc/24/11/37/384241137.db2.gz PPAHQHUBRRYUSZ-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP COC1(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)CCCC1 ZINC000319230004 384216565 /nfs/dbraw/zinc/21/65/65/384216565.db2.gz VBNXAYLFBAIROM-VXGBXAGGSA-N 2 1 226.364 1.615 20 0 BDADMP COC1(C[N@H+](C)[C@H](C)C[NH3+])CCCC1 ZINC000319480862 384249828 /nfs/dbraw/zinc/24/98/28/384249828.db2.gz SHTNNUZPGWNGBR-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP COC1(C[N@@H+](C)[C@H](C)C[NH3+])CCCC1 ZINC000319480862 384249834 /nfs/dbraw/zinc/24/98/34/384249834.db2.gz SHTNNUZPGWNGBR-SNVBAGLBSA-N 2 1 200.326 1.225 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC000228474913 384258159 /nfs/dbraw/zinc/25/81/59/384258159.db2.gz YCCNZERKOYRNLI-MGPQQGTHSA-N 2 1 238.375 1.472 20 0 BDADMP CSCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000173745181 384263764 /nfs/dbraw/zinc/26/37/64/384263764.db2.gz JWGZJXYNHUEUBT-NSHDSACASA-N 2 1 216.394 1.623 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000133062449 384269499 /nfs/dbraw/zinc/26/94/99/384269499.db2.gz WSMYOCSSXLVNCM-PWSUYJOCSA-N 2 1 223.320 1.206 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC000174218540 384307584 /nfs/dbraw/zinc/30/75/84/384307584.db2.gz BMYLVIBLLSEFOK-QWHCGFSZSA-N 2 1 228.380 1.685 20 0 BDADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)CN(C)C ZINC000168746905 384308285 /nfs/dbraw/zinc/30/82/85/384308285.db2.gz UVAHBPOQZYWAKE-IHRRRGAJSA-N 2 1 241.423 1.837 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000083549998 384312172 /nfs/dbraw/zinc/31/21/72/384312172.db2.gz WYRRSQJASKEJAZ-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000173887805 384278956 /nfs/dbraw/zinc/27/89/56/384278956.db2.gz QONSYUWEQSGOGJ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000173887805 384278959 /nfs/dbraw/zinc/27/89/59/384278959.db2.gz QONSYUWEQSGOGJ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000173887805 384278962 /nfs/dbraw/zinc/27/89/62/384278962.db2.gz QONSYUWEQSGOGJ-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000300351794 384355655 /nfs/dbraw/zinc/35/56/55/384355655.db2.gz DOIOEUIEBAHAKO-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000300376711 384359309 /nfs/dbraw/zinc/35/93/09/384359309.db2.gz JXEBAUYMGZKLKM-KXNHARMFSA-N 2 1 212.337 1.223 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300372917 384359519 /nfs/dbraw/zinc/35/95/19/384359519.db2.gz XNKMSFVYEFTWKH-GRYCIOLGSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095068389 384330032 /nfs/dbraw/zinc/33/00/32/384330032.db2.gz OPZOICJULBXZOZ-GHMZBOCLSA-N 2 1 205.305 1.342 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000300230569 384332280 /nfs/dbraw/zinc/33/22/80/384332280.db2.gz BHQMOEHPLKPLMC-IJLUTSLNSA-N 2 1 228.405 1.669 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229057174 384415247 /nfs/dbraw/zinc/41/52/47/384415247.db2.gz LAXLFGMSEYMUOV-STQMWFEESA-N 2 1 233.359 1.807 20 0 BDADMP C[C@H](C[NH2+]Cc1cncnc1)C[NH+]1CCCC1 ZINC000062079007 384451111 /nfs/dbraw/zinc/45/11/11/384451111.db2.gz UMVJKVRQONBKTL-GFCCVEGCSA-N 2 1 234.347 1.298 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cn[nH]c1 ZINC000305973238 384451121 /nfs/dbraw/zinc/45/11/21/384451121.db2.gz QCROLWFFRFJQQL-WDEREUQCSA-N 2 1 234.347 1.545 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000647175055 384470104 /nfs/dbraw/zinc/47/01/04/384470104.db2.gz VULXZARSXZTNAU-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP c1cc2c(nc[nH+]c2NCC[C@H]2CCC[NH2+]2)[nH]1 ZINC000562833381 384497135 /nfs/dbraw/zinc/49/71/35/384497135.db2.gz RFUNRXAAJRSVAI-SECBINFHSA-N 2 1 231.303 1.464 20 0 BDADMP C[N@@H+](CC1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000172583389 384501301 /nfs/dbraw/zinc/50/13/01/384501301.db2.gz VQWIDRPXQCKAAO-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC1CCOCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000172583389 384501304 /nfs/dbraw/zinc/50/13/04/384501304.db2.gz VQWIDRPXQCKAAO-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC1CCOCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172583389 384501307 /nfs/dbraw/zinc/50/13/07/384501307.db2.gz VQWIDRPXQCKAAO-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000647517985 384494732 /nfs/dbraw/zinc/49/47/32/384494732.db2.gz ZWGVIVTYKXPHLP-CYBMUJFWSA-N 2 1 248.374 1.268 20 0 BDADMP C([C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C1)[NH+]1CCCC1 ZINC000150852934 384515121 /nfs/dbraw/zinc/51/51/21/384515121.db2.gz GUHUDIHUGSTLQL-KBPBESRZSA-N 2 1 238.375 1.583 20 0 BDADMP COCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150815966 384515481 /nfs/dbraw/zinc/51/54/81/384515481.db2.gz NMMFYUSTYJQVJU-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000647179661 384532092 /nfs/dbraw/zinc/53/20/92/384532092.db2.gz KCGNELDTOIMMPQ-RDBSUJKOSA-N 2 1 240.391 1.874 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000016083140 384545818 /nfs/dbraw/zinc/54/58/18/384545818.db2.gz UJUSOZQAQXUINK-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000016083140 384545823 /nfs/dbraw/zinc/54/58/23/384545823.db2.gz UJUSOZQAQXUINK-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000162429159 384558065 /nfs/dbraw/zinc/55/80/65/384558065.db2.gz OEFNOPWAKCZUHM-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)C(C)(C)CO1 ZINC000643057822 384562649 /nfs/dbraw/zinc/56/26/49/384562649.db2.gz BFOQJPFGMLEAHE-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000236748931 384569810 /nfs/dbraw/zinc/56/98/10/384569810.db2.gz CQBODRZSWHXWTB-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CCCO1 ZINC000643067111 384579219 /nfs/dbraw/zinc/57/92/19/384579219.db2.gz YBVDXOYYIPJSAR-AVGNSLFASA-N 2 1 224.348 1.239 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CCCO1 ZINC000643067111 384579226 /nfs/dbraw/zinc/57/92/26/384579226.db2.gz YBVDXOYYIPJSAR-AVGNSLFASA-N 2 1 224.348 1.239 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066879 384580159 /nfs/dbraw/zinc/58/01/59/384580159.db2.gz UTIMYLIKHVYOMG-UONOGXRCSA-N 2 1 248.374 1.265 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc(C)s1 ZINC000517948255 384589777 /nfs/dbraw/zinc/58/97/77/384589777.db2.gz UHOLXRKUGNFYEK-GFCCVEGCSA-N 2 1 242.388 1.459 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(C)s1 ZINC000517948255 384589787 /nfs/dbraw/zinc/58/97/87/384589787.db2.gz UHOLXRKUGNFYEK-GFCCVEGCSA-N 2 1 242.388 1.459 20 0 BDADMP COC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000643058176 384566506 /nfs/dbraw/zinc/56/65/06/384566506.db2.gz KIKJZCAZLHLRQB-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCCCCC1 ZINC000037885823 384624587 /nfs/dbraw/zinc/62/45/87/384624587.db2.gz NCGUMCQEKCTARN-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000647534591 384645900 /nfs/dbraw/zinc/64/59/00/384645900.db2.gz RHIUNAJFMRWLPT-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000647534591 384645906 /nfs/dbraw/zinc/64/59/06/384645906.db2.gz RHIUNAJFMRWLPT-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)COC1 ZINC000309835250 384653675 /nfs/dbraw/zinc/65/36/75/384653675.db2.gz AYCXUZQNRRQXDM-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000151667021 384686185 /nfs/dbraw/zinc/68/61/85/384686185.db2.gz OGRLEHAZHAIGFI-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300364877 384698310 /nfs/dbraw/zinc/69/83/10/384698310.db2.gz HWPDECDKAHVVJU-FVCCEPFGSA-N 2 1 228.380 1.466 20 0 BDADMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC)c1ccccc1 ZINC000052019423 384711505 /nfs/dbraw/zinc/71/15/05/384711505.db2.gz ATVSACWZUUADGP-CYBMUJFWSA-N 2 1 248.374 1.813 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543197 384712528 /nfs/dbraw/zinc/71/25/28/384712528.db2.gz JFLKSSPHNLVXEF-CHWSQXEVSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543197 384712533 /nfs/dbraw/zinc/71/25/33/384712533.db2.gz JFLKSSPHNLVXEF-CHWSQXEVSA-N 2 1 239.407 1.435 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546163 384730351 /nfs/dbraw/zinc/73/03/51/384730351.db2.gz BVJQFDNQDXTROZ-XJFOESAGSA-N 3 1 239.407 1.338 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cn[nH]c1 ZINC000300414218 384779368 /nfs/dbraw/zinc/77/93/68/384779368.db2.gz JSPFEGMTNGCCNZ-DRZSPHRISA-N 2 1 234.347 1.687 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cn[nH]c1 ZINC000300414218 384779378 /nfs/dbraw/zinc/77/93/78/384779378.db2.gz JSPFEGMTNGCCNZ-DRZSPHRISA-N 2 1 234.347 1.687 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000334848013 384745922 /nfs/dbraw/zinc/74/59/22/384745922.db2.gz HLFDFWLLHDNUDV-NHYWBVRUSA-N 2 1 230.355 1.884 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647547984 384749867 /nfs/dbraw/zinc/74/98/67/384749867.db2.gz QFSJTMDDAPFTEU-CHWSQXEVSA-N 3 1 237.391 1.250 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300396139 384750346 /nfs/dbraw/zinc/75/03/46/384750346.db2.gz ZOFMIKFPLXVOGC-YNEHKIRRSA-N 2 1 228.380 1.467 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449626043 384754346 /nfs/dbraw/zinc/75/43/46/384754346.db2.gz USNKMBNJDXPLJX-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000309986453 384767957 /nfs/dbraw/zinc/76/79/57/384767957.db2.gz YMQWNUGIIBWUOT-YNEHKIRRSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571629 384770920 /nfs/dbraw/zinc/77/09/20/384770920.db2.gz QHHDVLIENWCSOO-QWHCGFSZSA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571629 384770925 /nfs/dbraw/zinc/77/09/25/384770925.db2.gz QHHDVLIENWCSOO-QWHCGFSZSA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335571629 384770931 /nfs/dbraw/zinc/77/09/31/384770931.db2.gz QHHDVLIENWCSOO-QWHCGFSZSA-N 2 1 226.364 1.031 20 0 BDADMP CO[C@H](C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000308529712 384784540 /nfs/dbraw/zinc/78/45/40/384784540.db2.gz RKJGNJAEQMTKLU-SNVBAGLBSA-N 2 1 200.326 1.095 20 0 BDADMP CCOC(=O)CCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330098 384794348 /nfs/dbraw/zinc/79/43/48/384794348.db2.gz QMNHRBYAQXCAFP-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP CCOC(=O)CCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330098 384794355 /nfs/dbraw/zinc/79/43/55/384794355.db2.gz QMNHRBYAQXCAFP-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000336669630 384806344 /nfs/dbraw/zinc/80/63/44/384806344.db2.gz MUTLFYRLWVJLNH-NSHDSACASA-N 2 1 222.336 1.271 20 0 BDADMP C[C@H](CF)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000306366820 384898230 /nfs/dbraw/zinc/89/82/30/384898230.db2.gz JWHTUYWVFHYVCL-GMTAPVOTSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H](CF)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000306366820 384898233 /nfs/dbraw/zinc/89/82/33/384898233.db2.gz JWHTUYWVFHYVCL-GMTAPVOTSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@H](CF)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000306366820 384898236 /nfs/dbraw/zinc/89/82/36/384898236.db2.gz JWHTUYWVFHYVCL-GMTAPVOTSA-N 2 1 200.301 1.561 20 0 BDADMP C[N@@H+](CCC[NH2+][C@@H]1CCOC1)Cc1ccccc1 ZINC000104063429 384924168 /nfs/dbraw/zinc/92/41/68/384924168.db2.gz HWCPJWLFPNIDIX-OAHLLOKOSA-N 2 1 248.370 1.887 20 0 BDADMP C[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000644521927 384926882 /nfs/dbraw/zinc/92/68/82/384926882.db2.gz DDWMCUVGZXENSK-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@@H](O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000257771799 384928039 /nfs/dbraw/zinc/92/80/39/384928039.db2.gz NUDXLNCMMHYRMG-VXGBXAGGSA-N 2 1 214.353 1.173 20 0 BDADMP COc1cc([C@H](C)NC[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000564660549 384941126 /nfs/dbraw/zinc/94/11/26/384941126.db2.gz KGGRTHTUEQHPEM-AAEUAGOBSA-N 2 1 249.358 1.835 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccns1 ZINC000404486506 385021349 /nfs/dbraw/zinc/02/13/49/385021349.db2.gz CFYZSPSKMRJYEK-SNVBAGLBSA-N 2 1 225.361 1.846 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccns1 ZINC000404486506 385021358 /nfs/dbraw/zinc/02/13/58/385021358.db2.gz CFYZSPSKMRJYEK-SNVBAGLBSA-N 2 1 225.361 1.846 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336681278 385001155 /nfs/dbraw/zinc/00/11/55/385001155.db2.gz YBFXXNCMRKOWLV-CHWSQXEVSA-N 3 1 229.412 1.824 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336681278 385001161 /nfs/dbraw/zinc/00/11/61/385001161.db2.gz YBFXXNCMRKOWLV-CHWSQXEVSA-N 3 1 229.412 1.824 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000300861499 385008772 /nfs/dbraw/zinc/00/87/72/385008772.db2.gz NUAOWTAJVJXAFZ-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCC[C@@H](CNCc2ccns2)C1 ZINC000404466612 385013259 /nfs/dbraw/zinc/01/32/59/385013259.db2.gz XVXHYTUMCLKFKM-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP Cc1cc(C[NH2+]CCn2cc[nH+]c2C)sn1 ZINC000404482019 385017796 /nfs/dbraw/zinc/01/77/96/385017796.db2.gz FRYMQVDTLBWYKB-UHFFFAOYSA-N 2 1 236.344 1.746 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000404489644 385019479 /nfs/dbraw/zinc/01/94/79/385019479.db2.gz GQQYDGSOJAYVNA-NXEZZACHSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000404489644 385019482 /nfs/dbraw/zinc/01/94/82/385019482.db2.gz GQQYDGSOJAYVNA-NXEZZACHSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000404489650 385019739 /nfs/dbraw/zinc/01/97/39/385019739.db2.gz GQQYDGSOJAYVNA-ZJUUUORDSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000404489650 385019745 /nfs/dbraw/zinc/01/97/45/385019745.db2.gz GQQYDGSOJAYVNA-ZJUUUORDSA-N 2 1 225.361 1.702 20 0 BDADMP COC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438074 385020343 /nfs/dbraw/zinc/02/03/43/385020343.db2.gz DJWXGWALWMAJOS-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000404486967 385020788 /nfs/dbraw/zinc/02/07/88/385020788.db2.gz CTFPKOZBDRGMOD-JTQLQIEISA-N 2 1 225.361 1.704 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340490016 385073977 /nfs/dbraw/zinc/07/39/77/385073977.db2.gz TWAAIWXRGDHOLC-MGPQQGTHSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000340493569 385078119 /nfs/dbraw/zinc/07/81/19/385078119.db2.gz VQTKECOHDFYNRL-KGYLQXTDSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@H]([NH2+][C@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000307510936 385037191 /nfs/dbraw/zinc/03/71/91/385037191.db2.gz BWZRWSDJRZSLOM-DCAQKATOSA-N 2 1 214.378 1.612 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000234946588 385040945 /nfs/dbraw/zinc/04/09/45/385040945.db2.gz AHHBSVPNXWQXSU-RNCFNFMXSA-N 2 1 235.331 1.178 20 0 BDADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000310403647 385043478 /nfs/dbraw/zinc/04/34/78/385043478.db2.gz LFZDCBIZEWOIRL-RDBSUJKOSA-N 2 1 238.375 1.364 20 0 BDADMP CC[C@@H](C)C[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000647244199 385046805 /nfs/dbraw/zinc/04/68/05/385046805.db2.gz WAUHZZBLNDFDEQ-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000227255409 385111040 /nfs/dbraw/zinc/11/10/40/385111040.db2.gz LQWIXPSFASFBFS-MGPQQGTHSA-N 2 1 237.391 1.345 20 0 BDADMP C([C@H]1CCC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227374658 385124211 /nfs/dbraw/zinc/12/42/11/385124211.db2.gz DQBYNFUWAIGCSJ-UONOGXRCSA-N 2 1 237.391 1.156 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000644669254 385086705 /nfs/dbraw/zinc/08/67/05/385086705.db2.gz OJPWQOCIMXHOCR-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000310486013 385087821 /nfs/dbraw/zinc/08/78/21/385087821.db2.gz DXRZHMLBGLGBSG-FPMFFAJLSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000310498652 385089583 /nfs/dbraw/zinc/08/95/83/385089583.db2.gz LGYQFLLEJMCYGN-BXUZGUMPSA-N 2 1 238.375 1.770 20 0 BDADMP CC[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310514146 385101514 /nfs/dbraw/zinc/10/15/14/385101514.db2.gz RDPNKKRCROMOGW-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310514146 385101524 /nfs/dbraw/zinc/10/15/24/385101524.db2.gz RDPNKKRCROMOGW-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310514146 385101532 /nfs/dbraw/zinc/10/15/32/385101532.db2.gz RDPNKKRCROMOGW-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310514146 385101538 /nfs/dbraw/zinc/10/15/38/385101538.db2.gz RDPNKKRCROMOGW-UONOGXRCSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)s1 ZINC000404844686 385104343 /nfs/dbraw/zinc/10/43/43/385104343.db2.gz CYMSZFUPDHJZTE-NXEZZACHSA-N 2 1 225.361 1.667 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CCN(C)C ZINC000308860086 385223106 /nfs/dbraw/zinc/22/31/06/385223106.db2.gz PBPJJBWTVOEANP-VXGBXAGGSA-N 2 1 215.385 1.434 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000052173126 385227341 /nfs/dbraw/zinc/22/73/41/385227341.db2.gz RLCCUHPOBSJENK-LBPRGKRZSA-N 2 1 212.337 1.084 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000045107894 385244839 /nfs/dbraw/zinc/24/48/39/385244839.db2.gz MJCCCHNWIOXSDQ-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP OCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157903236 385305653 /nfs/dbraw/zinc/30/56/53/385305653.db2.gz QXHPLKBNBOBDOP-STQMWFEESA-N 2 1 226.364 1.365 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000299899239 385285768 /nfs/dbraw/zinc/28/57/68/385285768.db2.gz YEBKGIWTEFFBGG-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000299899239 385285773 /nfs/dbraw/zinc/28/57/73/385285773.db2.gz YEBKGIWTEFFBGG-DGCLKSJQSA-N 2 1 219.332 1.559 20 0 BDADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)nc1 ZINC000647490940 385285859 /nfs/dbraw/zinc/28/58/59/385285859.db2.gz ZMGMKQMEMXFHJZ-LLVKDONJSA-N 2 1 235.331 1.261 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)nc1 ZINC000647490940 385285863 /nfs/dbraw/zinc/28/58/63/385285863.db2.gz ZMGMKQMEMXFHJZ-LLVKDONJSA-N 2 1 235.331 1.261 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157839985 385295814 /nfs/dbraw/zinc/29/58/14/385295814.db2.gz WAFJYAZLLNGTOU-UTUOFQBUSA-N 2 1 241.379 1.103 20 0 BDADMP Cc1c[nH+]ccc1NCC(F)(F)C[NH3+] ZINC000164932871 385331849 /nfs/dbraw/zinc/33/18/49/385331849.db2.gz WWPGMXVTSSOEEK-UHFFFAOYSA-N 2 1 201.220 1.396 20 0 BDADMP CCOC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158081568 385334811 /nfs/dbraw/zinc/33/48/11/385334811.db2.gz HTNYYIGEUYCTQX-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000158081568 385334815 /nfs/dbraw/zinc/33/48/15/385334815.db2.gz HTNYYIGEUYCTQX-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000158081568 385334820 /nfs/dbraw/zinc/33/48/20/385334820.db2.gz HTNYYIGEUYCTQX-LBPRGKRZSA-N 2 1 242.363 1.213 20 0 BDADMP CC(C)OCC[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316860595 385335318 /nfs/dbraw/zinc/33/53/18/385335318.db2.gz NOCCBFBNUJZNTE-AGIUHOORSA-N 2 1 228.380 1.859 20 0 BDADMP CC(C)OCC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316860595 385335320 /nfs/dbraw/zinc/33/53/20/385335320.db2.gz NOCCBFBNUJZNTE-AGIUHOORSA-N 2 1 228.380 1.859 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21)C1CC1 ZINC000425455241 385337988 /nfs/dbraw/zinc/33/79/88/385337988.db2.gz HPZBJNROEZEAKL-KWCYVHTRSA-N 2 1 238.375 1.437 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)nc1 ZINC000228061579 385325128 /nfs/dbraw/zinc/32/51/28/385325128.db2.gz DBSWSTIUFVOFMN-NEPJUHHUSA-N 2 1 219.332 1.559 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@@H]1[NH3+] ZINC000647497726 385407559 /nfs/dbraw/zinc/40/75/59/385407559.db2.gz SNSADKUQHBWWJJ-SYQHCUMBSA-N 3 1 239.407 1.434 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647498957 385423520 /nfs/dbraw/zinc/42/35/20/385423520.db2.gz UXDGBYKHROMTRH-NWDGAFQWSA-N 2 1 234.347 1.053 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccc(N)nc2)CC[C@H]1[NH3+] ZINC000647498957 385423523 /nfs/dbraw/zinc/42/35/23/385423523.db2.gz UXDGBYKHROMTRH-NWDGAFQWSA-N 2 1 234.347 1.053 20 0 BDADMP CC[NH+](CC)CCC[NH2+]Cc1cnc(N)s1 ZINC000309245371 385499571 /nfs/dbraw/zinc/49/95/71/385499571.db2.gz BYGPTDAZVYQUAP-UHFFFAOYSA-N 2 1 242.392 1.547 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000309328937 385534085 /nfs/dbraw/zinc/53/40/85/385534085.db2.gz HGYPIKBXHMEASL-AGIUHOORSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000309328937 385534088 /nfs/dbraw/zinc/53/40/88/385534088.db2.gz HGYPIKBXHMEASL-AGIUHOORSA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000309328940 385534470 /nfs/dbraw/zinc/53/44/70/385534470.db2.gz HGYPIKBXHMEASL-JHJVBQTASA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000309328940 385534477 /nfs/dbraw/zinc/53/44/77/385534477.db2.gz HGYPIKBXHMEASL-JHJVBQTASA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309347114 385546361 /nfs/dbraw/zinc/54/63/61/385546361.db2.gz LYYQCLHKSAYIHV-AGIUHOORSA-N 2 1 228.380 1.323 20 0 BDADMP Cc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)no1 ZINC000082475033 385551378 /nfs/dbraw/zinc/55/13/78/385551378.db2.gz RKBKXSVZERHYLA-JTQLQIEISA-N 2 1 223.320 1.542 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000269519513 385602247 /nfs/dbraw/zinc/60/22/47/385602247.db2.gz LJUQGZDHMPREJT-ZDUSSCGKSA-N 2 1 233.359 1.774 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000269519513 385602249 /nfs/dbraw/zinc/60/22/49/385602249.db2.gz LJUQGZDHMPREJT-ZDUSSCGKSA-N 2 1 233.359 1.774 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000309459425 385590985 /nfs/dbraw/zinc/59/09/85/385590985.db2.gz RLVHBXXXSOYWAR-AGIUHOORSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000309459425 385590989 /nfs/dbraw/zinc/59/09/89/385590989.db2.gz RLVHBXXXSOYWAR-AGIUHOORSA-N 3 1 225.380 1.330 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108283664 385631177 /nfs/dbraw/zinc/63/11/77/385631177.db2.gz IXHHFCDZORYJGS-QWHCGFSZSA-N 2 1 234.347 1.435 20 0 BDADMP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000108283664 385631182 /nfs/dbraw/zinc/63/11/82/385631182.db2.gz IXHHFCDZORYJGS-QWHCGFSZSA-N 2 1 234.347 1.435 20 0 BDADMP C[C@]1(C[N@H+]2CCCSCC2)CC[NH2+]C1 ZINC000062911599 385610018 /nfs/dbraw/zinc/61/00/18/385610018.db2.gz WFMYGNGACPZHRU-NSHDSACASA-N 2 1 214.378 1.425 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ncnn1C ZINC000353337463 385649314 /nfs/dbraw/zinc/64/93/14/385649314.db2.gz QLVPUBIDMYQBCR-TUAOUCFPSA-N 2 1 249.362 1.093 20 0 BDADMP CO[C@@H](C)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000182356845 385661593 /nfs/dbraw/zinc/66/15/93/385661593.db2.gz UMBDXRZYVLMNSZ-NSHDSACASA-N 2 1 225.336 1.548 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000182356845 385661601 /nfs/dbraw/zinc/66/16/01/385661601.db2.gz UMBDXRZYVLMNSZ-NSHDSACASA-N 2 1 225.336 1.548 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336734590 385662829 /nfs/dbraw/zinc/66/28/29/385662829.db2.gz KWFXWXMJGSRBQV-XQQFMLRXSA-N 2 1 228.380 1.610 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336685413 385691253 /nfs/dbraw/zinc/69/12/53/385691253.db2.gz UDIFBPHYQAVZLN-RWMBFGLXSA-N 2 1 228.380 1.181 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414855124 385699006 /nfs/dbraw/zinc/69/90/06/385699006.db2.gz WHEALRPBFKISBH-IHRRRGAJSA-N 3 1 241.423 1.742 20 0 BDADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCO[C@@H]12 ZINC000414859410 385740684 /nfs/dbraw/zinc/74/06/84/385740684.db2.gz AUYOGBHKKWYXRT-XQHKEYJVSA-N 2 1 236.359 1.286 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cccc2c1OCO2 ZINC000414861608 385752953 /nfs/dbraw/zinc/75/29/53/385752953.db2.gz SFNMPUOHSXUWIS-UHFFFAOYSA-N 2 1 222.288 1.114 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000122724389 385754180 /nfs/dbraw/zinc/75/41/80/385754180.db2.gz DYBJELZNVMGADH-JQWIXIFHSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000122724389 385754182 /nfs/dbraw/zinc/75/41/82/385754182.db2.gz DYBJELZNVMGADH-JQWIXIFHSA-N 2 1 228.405 1.812 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000414864471 385763665 /nfs/dbraw/zinc/76/36/65/385763665.db2.gz ZEAVGGANTRDDNX-UHFFFAOYSA-N 2 1 212.268 1.230 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000309641867 385765850 /nfs/dbraw/zinc/76/58/50/385765850.db2.gz KZOBHRFBQVUQLJ-UMSGYPCISA-N 2 1 226.364 1.077 20 0 BDADMP COC(=O)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000270585709 385719053 /nfs/dbraw/zinc/71/90/53/385719053.db2.gz DICGBRLQAMGLAF-UHFFFAOYSA-N 2 1 239.319 1.077 20 0 BDADMP COC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270585709 385719057 /nfs/dbraw/zinc/71/90/57/385719057.db2.gz DICGBRLQAMGLAF-UHFFFAOYSA-N 2 1 239.319 1.077 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccnn1C(C)C ZINC000414856916 385723241 /nfs/dbraw/zinc/72/32/41/385723241.db2.gz BMLRQADQJCPDTA-UHFFFAOYSA-N 2 1 210.325 1.163 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414948097 385805284 /nfs/dbraw/zinc/80/52/84/385805284.db2.gz XNNZSQOXYOCZSM-AAEUAGOBSA-N 2 1 236.363 1.552 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H](COC)CC(C)C ZINC000414950614 385819005 /nfs/dbraw/zinc/81/90/05/385819005.db2.gz GDNUASDYHALGFZ-NEPJUHHUSA-N 2 1 216.369 1.635 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951275 385820351 /nfs/dbraw/zinc/82/03/51/385820351.db2.gz PMXBMYWCOZKXDG-FDYHWXHSSA-N 3 1 225.380 1.247 20 0 BDADMP C[C@H]1SCC[C@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000647804778 385839535 /nfs/dbraw/zinc/83/95/35/385839535.db2.gz YPTKQTIUDPWKRC-DBIOUOCHSA-N 2 1 214.378 1.468 20 0 BDADMP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000336740861 385839704 /nfs/dbraw/zinc/83/97/04/385839704.db2.gz MPQQVQWOCRMDTA-CMPLNLGQSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000336740861 385839711 /nfs/dbraw/zinc/83/97/11/385839711.db2.gz MPQQVQWOCRMDTA-CMPLNLGQSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccs1 ZINC000336740861 385839714 /nfs/dbraw/zinc/83/97/14/385839714.db2.gz MPQQVQWOCRMDTA-CMPLNLGQSA-N 2 1 240.372 1.465 20 0 BDADMP CO[C@@](C)(C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000638076899 385795279 /nfs/dbraw/zinc/79/52/79/385795279.db2.gz OSNZQNAMEQRXJP-JSGCOSHPSA-N 2 1 240.391 1.685 20 0 BDADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647844875 385894491 /nfs/dbraw/zinc/89/44/91/385894491.db2.gz YOWRHUNDKFGXFH-GXTWGEPZSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H](CCn1cccn1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000272485534 385906075 /nfs/dbraw/zinc/90/60/75/385906075.db2.gz JSZYGLKHVNTIAX-CYBMUJFWSA-N 2 1 248.374 1.513 20 0 BDADMP CCCC[C@H](COC)[NH2+]C[C@@H](C)[NH2+]CC ZINC000414966336 385920062 /nfs/dbraw/zinc/92/00/62/385920062.db2.gz WKFBMLPKHYNWJV-VXGBXAGGSA-N 2 1 216.369 1.779 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000335032490 385920371 /nfs/dbraw/zinc/92/03/71/385920371.db2.gz ZHGDOHYJZAEOKC-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(C)nc1 ZINC000337948283 385859698 /nfs/dbraw/zinc/85/96/98/385859698.db2.gz WSKJHCFODXTZSQ-UHFFFAOYSA-N 2 1 245.330 1.470 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340472025 385866778 /nfs/dbraw/zinc/86/67/78/385866778.db2.gz ZDTDFVSDEWMYPO-AAEUAGOBSA-N 2 1 237.347 1.739 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000340191434 385867993 /nfs/dbraw/zinc/86/79/93/385867993.db2.gz PXGJKUUBRCMEEL-LLVKDONJSA-N 2 1 239.363 1.985 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000338355404 385978199 /nfs/dbraw/zinc/97/81/99/385978199.db2.gz JJHKGQBUTSPWPV-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000414132306 385979400 /nfs/dbraw/zinc/97/94/00/385979400.db2.gz AIXIVWYSMPLIMJ-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000414132306 385979406 /nfs/dbraw/zinc/97/94/06/385979406.db2.gz AIXIVWYSMPLIMJ-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@H+]1C ZINC000335021090 385981152 /nfs/dbraw/zinc/98/11/52/385981152.db2.gz BCCGSEAGSIWXJC-OLZOCXBDSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1C ZINC000335021090 385981162 /nfs/dbraw/zinc/98/11/62/385981162.db2.gz BCCGSEAGSIWXJC-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP COc1c(O)cccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414880946 385981530 /nfs/dbraw/zinc/98/15/30/385981530.db2.gz RLFNNIWYZHPBFO-SECBINFHSA-N 2 1 224.304 1.085 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000342111823 385930450 /nfs/dbraw/zinc/93/04/50/385930450.db2.gz ULFYBGVJJHNSRA-SDDRHHMPSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000342111823 385930457 /nfs/dbraw/zinc/93/04/57/385930457.db2.gz ULFYBGVJJHNSRA-SDDRHHMPSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@H]1OCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878093 385930720 /nfs/dbraw/zinc/93/07/20/385930720.db2.gz NICLQVRXMNIFCH-OCCSQVGLSA-N 2 1 249.358 1.328 20 0 BDADMP C[C@H](C[NH2+]Cc1cccc(C(N)=O)c1)C[NH+](C)C ZINC000291733792 385931609 /nfs/dbraw/zinc/93/16/09/385931609.db2.gz OAOITIDOBSPTPV-LLVKDONJSA-N 2 1 249.358 1.073 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000335043066 385935227 /nfs/dbraw/zinc/93/52/27/385935227.db2.gz MKCYULUBJMFPLT-LRDDRELGSA-N 2 1 244.382 1.989 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000335043068 385936720 /nfs/dbraw/zinc/93/67/20/385936720.db2.gz MKCYULUBJMFPLT-WBMJQRKESA-N 2 1 244.382 1.989 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCO1 ZINC000295006822 385939842 /nfs/dbraw/zinc/93/98/42/385939842.db2.gz JBKWVUORVNWMBP-GFCCVEGCSA-N 2 1 235.331 1.416 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000338280929 385944822 /nfs/dbraw/zinc/94/48/22/385944822.db2.gz VTSTWVJYMJJQLI-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000338280145 385944908 /nfs/dbraw/zinc/94/49/08/385944908.db2.gz KFQFHISQMBZVAL-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000338280141 385945348 /nfs/dbraw/zinc/94/53/48/385945348.db2.gz KFQFHISQMBZVAL-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](COC)C1 ZINC000338302114 385952080 /nfs/dbraw/zinc/95/20/80/385952080.db2.gz ALKBZYRERHPUBU-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000338305386 385953868 /nfs/dbraw/zinc/95/38/68/385953868.db2.gz JWWZXQOLDMPPLV-KGLIPLIRSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012371 385969447 /nfs/dbraw/zinc/96/94/47/385969447.db2.gz YYEDQMGYMHXRBV-CHWSQXEVSA-N 3 1 239.407 1.578 20 0 BDADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)[C@H]1CCC[NH2+]C1 ZINC000335015802 385973524 /nfs/dbraw/zinc/97/35/24/385973524.db2.gz CBMJHYJPFADUTI-CYBMUJFWSA-N 3 1 237.391 1.204 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414971701 385975020 /nfs/dbraw/zinc/97/50/20/385975020.db2.gz IUYNDLVTXRXQGD-NEPJUHHUSA-N 2 1 213.369 1.058 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000414974351 386009685 /nfs/dbraw/zinc/00/96/85/386009685.db2.gz JXFKACCTRUJFBJ-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000309485449 386012141 /nfs/dbraw/zinc/01/21/41/386012141.db2.gz GGRYRGITLKAINW-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP CCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976247 386015640 /nfs/dbraw/zinc/01/56/40/386015640.db2.gz NQZOTDCKLKXKDP-NWDGAFQWSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000414169567 386016216 /nfs/dbraw/zinc/01/62/16/386016216.db2.gz BHCZEOUWFFXTTN-NWDGAFQWSA-N 2 1 236.363 1.792 20 0 BDADMP CO[C@H](C)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000273650507 386019951 /nfs/dbraw/zinc/01/99/51/386019951.db2.gz WMUZBWZKAIICKL-LLVKDONJSA-N 2 1 237.347 1.662 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393903058 386024579 /nfs/dbraw/zinc/02/45/79/386024579.db2.gz ITHHUOWOUMUFOI-NMUGVGKYSA-N 2 1 232.318 1.958 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC000647929243 386036065 /nfs/dbraw/zinc/03/60/65/386036065.db2.gz VDNCNRXDYYOXFO-UONOGXRCSA-N 2 1 239.407 1.306 20 0 BDADMP CC(C)[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647929243 386036070 /nfs/dbraw/zinc/03/60/70/386036070.db2.gz VDNCNRXDYYOXFO-UONOGXRCSA-N 2 1 239.407 1.306 20 0 BDADMP CCC1CCC([NH2+]C[C@@H]2C[NH2+]CCN2C)CC1 ZINC000414979499 386045495 /nfs/dbraw/zinc/04/54/95/386045495.db2.gz UKBJYVDXHXAENJ-RUXDESIVSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1[nH]ncc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414980966 386057577 /nfs/dbraw/zinc/05/75/77/386057577.db2.gz XMVVQDYVNWRGBL-LBPRGKRZSA-N 2 1 222.336 1.340 20 0 BDADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129105827 386049927 /nfs/dbraw/zinc/04/99/27/386049927.db2.gz ZYRFIKIQNONVFH-ZIAGYGMSSA-N 2 1 239.407 1.593 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000414149453 385996905 /nfs/dbraw/zinc/99/69/05/385996905.db2.gz STZOVMYDTRUBQX-IGQOVBAYSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000414149453 385996912 /nfs/dbraw/zinc/99/69/12/385996912.db2.gz STZOVMYDTRUBQX-IGQOVBAYSA-N 2 1 240.391 1.872 20 0 BDADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414888705 386100796 /nfs/dbraw/zinc/10/07/96/386100796.db2.gz SKLDKPPYPODLKP-GXTWGEPZSA-N 2 1 248.370 1.968 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)CC1CC[NH2+]CC1 ZINC000648406141 386105844 /nfs/dbraw/zinc/10/58/44/386105844.db2.gz MEGCPRJLNGWFSE-UHFFFAOYSA-N 2 1 228.380 1.326 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1F ZINC000414886050 386066642 /nfs/dbraw/zinc/06/66/42/386066642.db2.gz CGEAJKWIAIYRIP-CYBMUJFWSA-N 2 1 222.307 1.961 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2CN)CC[NH2+]1 ZINC000414652790 386075371 /nfs/dbraw/zinc/07/53/71/386075371.db2.gz HJAXMIIVHYEHSB-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H](CN2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000414652790 386075382 /nfs/dbraw/zinc/07/53/82/386075382.db2.gz HJAXMIIVHYEHSB-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2CN)CC[NH2+]1 ZINC000414652791 386076205 /nfs/dbraw/zinc/07/62/05/386076205.db2.gz HJAXMIIVHYEHSB-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H](CN2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000414652791 386076209 /nfs/dbraw/zinc/07/62/09/386076209.db2.gz HJAXMIIVHYEHSB-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C)[C@@H]2CN)CC[NH2+]1 ZINC000414657086 386085586 /nfs/dbraw/zinc/08/55/86/386085586.db2.gz JMDPILCFOYNLAX-DGAVXFQQSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@H](CN2CCC[C@H](C)[C@@H]2C[NH3+])CC[NH2+]1 ZINC000414657086 386085590 /nfs/dbraw/zinc/08/55/90/386085590.db2.gz JMDPILCFOYNLAX-DGAVXFQQSA-N 2 1 239.407 1.434 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000286999119 386089459 /nfs/dbraw/zinc/08/94/59/386089459.db2.gz JZDDDOJNAYBEPM-OAHLLOKOSA-N 2 1 248.370 1.274 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414660313 386091665 /nfs/dbraw/zinc/09/16/65/386091665.db2.gz MPJQHDPHTXRTCH-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[NH2+]C[C@@H]1CCCN1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414660313 386091669 /nfs/dbraw/zinc/09/16/69/386091669.db2.gz MPJQHDPHTXRTCH-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H](O)C(C)C ZINC000414286449 386096036 /nfs/dbraw/zinc/09/60/36/386096036.db2.gz CODORGBAAABBRJ-ZIAGYGMSSA-N 2 1 242.407 1.856 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414681581 386165284 /nfs/dbraw/zinc/16/52/84/386165284.db2.gz PMNUNKUQHNOXFW-KGLIPLIRSA-N 2 1 242.407 1.859 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)CC[N@@H+]1C ZINC000310313687 386173154 /nfs/dbraw/zinc/17/31/54/386173154.db2.gz RKTZPJCLOVJKBQ-YIYPIFLZSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)CC[N@H+]1C ZINC000310313687 386173161 /nfs/dbraw/zinc/17/31/61/386173161.db2.gz RKTZPJCLOVJKBQ-YIYPIFLZSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)C[C@H]1COCC[N@@H+]1CCC[NH3+] ZINC000414691808 386187723 /nfs/dbraw/zinc/18/77/23/386187723.db2.gz JQOWIUDVWNWGHV-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)C[C@H]1COCC[N@H+]1CCC[NH3+] ZINC000414691808 386187728 /nfs/dbraw/zinc/18/77/28/386187728.db2.gz JQOWIUDVWNWGHV-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP C[NH+](C)CCN(C(=O)C[NH+](C)C)c1ccccc1 ZINC000263903132 386188966 /nfs/dbraw/zinc/18/89/66/386188966.db2.gz RTXRPRJSWNEDRJ-UHFFFAOYSA-N 2 1 249.358 1.143 20 0 BDADMP [NH3+]CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000414697579 386201587 /nfs/dbraw/zinc/20/15/87/386201587.db2.gz CFBKXPBIVZGTIN-UHFFFAOYSA-N 2 1 224.270 2.000 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)O1 ZINC000310570178 386203262 /nfs/dbraw/zinc/20/32/62/386203262.db2.gz NSJZFQUIVPHELU-MQYQWHSLSA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC000310565309 386205723 /nfs/dbraw/zinc/20/57/23/386205723.db2.gz LLCJQDNWUQQEEH-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC000310565309 386205725 /nfs/dbraw/zinc/20/57/25/386205725.db2.gz LLCJQDNWUQQEEH-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000414704582 386213593 /nfs/dbraw/zinc/21/35/93/386213593.db2.gz WFHJOHYVJGDMQY-GFCCVEGCSA-N 2 1 248.326 1.901 20 0 BDADMP C[N@@H+](CCc1nccs1)CC1CC[NH2+]CC1 ZINC000297141972 386226803 /nfs/dbraw/zinc/22/68/03/386226803.db2.gz ZKLPKHRQDWNIBF-UHFFFAOYSA-N 2 1 239.388 1.617 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000414712232 386229618 /nfs/dbraw/zinc/22/96/18/386229618.db2.gz NLWURXDSBDBKEV-UONOGXRCSA-N 2 1 241.423 1.632 20 0 BDADMP C[N@@H+](CCNC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000132259990 386229807 /nfs/dbraw/zinc/22/98/07/386229807.db2.gz IHNSAKQCDLTBGY-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414712776 386230324 /nfs/dbraw/zinc/23/03/24/386230324.db2.gz OLUJMGAYDYQPAY-XQHKEYJVSA-N 2 1 226.364 1.077 20 0 BDADMP CCC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414712356 386230965 /nfs/dbraw/zinc/23/09/65/386230965.db2.gz UAPCHJANKZFCBX-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](CCOC)CC[C@H]1CCC[NH+]1C ZINC000336643894 386242330 /nfs/dbraw/zinc/24/23/30/386242330.db2.gz FASCGJODYGCFBN-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CCOC)CC[C@H]1CCC[N@@H+]1C ZINC000336643894 386242336 /nfs/dbraw/zinc/24/23/36/386242336.db2.gz FASCGJODYGCFBN-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CCOC)CC[C@H]1CCC[N@H+]1C ZINC000336643894 386242338 /nfs/dbraw/zinc/24/23/38/386242338.db2.gz FASCGJODYGCFBN-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP COCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647883386 386246597 /nfs/dbraw/zinc/24/65/97/386246597.db2.gz MXRXNAUIUZFUEM-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc3c2OCO3)CC[C@H]1[NH3+] ZINC000347098905 386247239 /nfs/dbraw/zinc/24/72/39/386247239.db2.gz IXFMWPYAPUKQST-CMPLNLGQSA-N 2 1 248.326 1.584 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)CC[C@H]1[NH3+] ZINC000347098905 386247246 /nfs/dbraw/zinc/24/72/46/386247246.db2.gz IXFMWPYAPUKQST-CMPLNLGQSA-N 2 1 248.326 1.584 20 0 BDADMP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414694876 386194427 /nfs/dbraw/zinc/19/44/27/386194427.db2.gz GIPCKADZWOFQNN-NWDGAFQWSA-N 2 1 242.363 1.387 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414694876 386194430 /nfs/dbraw/zinc/19/44/30/386194430.db2.gz GIPCKADZWOFQNN-NWDGAFQWSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698156 386199697 /nfs/dbraw/zinc/19/96/97/386199697.db2.gz IQIKNZIIQVGANB-RFQIPJPRSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@H]1C[C@H](CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000414698156 386199698 /nfs/dbraw/zinc/19/96/98/386199698.db2.gz IQIKNZIIQVGANB-RFQIPJPRSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336662286 386282828 /nfs/dbraw/zinc/28/28/28/386282828.db2.gz JBBYBZVPGOBKGE-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336662286 386282834 /nfs/dbraw/zinc/28/28/34/386282834.db2.gz JBBYBZVPGOBKGE-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336662286 386282839 /nfs/dbraw/zinc/28/28/39/386282839.db2.gz JBBYBZVPGOBKGE-YPMHNXCESA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336663624 386284230 /nfs/dbraw/zinc/28/42/30/386284230.db2.gz CPZMNYRPNJOMGG-NWDGAFQWSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+](CCC[NH+](C)C)Cc1ccn(C)c1 ZINC000289530493 386324384 /nfs/dbraw/zinc/32/43/84/386324384.db2.gz VZLDGUWNYMZFCI-UHFFFAOYSA-N 2 1 223.364 1.799 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccn(C)c1 ZINC000289530493 386324390 /nfs/dbraw/zinc/32/43/90/386324390.db2.gz VZLDGUWNYMZFCI-UHFFFAOYSA-N 2 1 223.364 1.799 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885774 386286099 /nfs/dbraw/zinc/28/60/99/386286099.db2.gz OMXNPAQXFVMKGP-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000336676193 386324407 /nfs/dbraw/zinc/32/44/07/386324407.db2.gz MPOGQHCRDHVKIU-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000336676193 386324411 /nfs/dbraw/zinc/32/44/11/386324411.db2.gz MPOGQHCRDHVKIU-GFCCVEGCSA-N 2 1 223.320 1.302 20 0 BDADMP CC[N@@H+](C[C@H](O)CN(C)C1CC1)C1CCC1 ZINC000336667751 386295431 /nfs/dbraw/zinc/29/54/31/386295431.db2.gz QJKZSZDDRWMCAF-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCC1 ZINC000336667751 386295434 /nfs/dbraw/zinc/29/54/34/386295434.db2.gz QJKZSZDDRWMCAF-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCC1 ZINC000336667751 386295439 /nfs/dbraw/zinc/29/54/39/386295439.db2.gz QJKZSZDDRWMCAF-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000336667751 386295445 /nfs/dbraw/zinc/29/54/45/386295445.db2.gz QJKZSZDDRWMCAF-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000336667751 386295449 /nfs/dbraw/zinc/29/54/49/386295449.db2.gz QJKZSZDDRWMCAF-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP COC1(C)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336680012 386321897 /nfs/dbraw/zinc/32/18/97/386321897.db2.gz DKJZKMZLBZTIID-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2(CO)CC2)CC[NH2+]1 ZINC000414739590 386322486 /nfs/dbraw/zinc/32/24/86/386322486.db2.gz KDBUXVZEQOJIQB-VXGBXAGGSA-N 2 1 226.364 1.079 20 0 BDADMP c1cc2c(s1)C[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647988796 386323045 /nfs/dbraw/zinc/32/30/45/386323045.db2.gz OLMUQSPSYFNWMV-SNVBAGLBSA-N 2 1 222.357 1.716 20 0 BDADMP CC(C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000125519186 386262193 /nfs/dbraw/zinc/26/21/93/386262193.db2.gz RLYMSKCXTZVQIA-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(O)CCC1 ZINC000353152708 386266412 /nfs/dbraw/zinc/26/64/12/386266412.db2.gz MGALQGPIDPVYEB-UHFFFAOYSA-N 2 1 235.331 1.152 20 0 BDADMP CC[C@H]1C[C@@H](C[N@@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000347163270 386267717 /nfs/dbraw/zinc/26/77/17/386267717.db2.gz IPJTXCJWFNQGOG-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC000336682735 386339960 /nfs/dbraw/zinc/33/99/60/386339960.db2.gz YPOJKIBVHYNFLB-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336682735 386339964 /nfs/dbraw/zinc/33/99/64/386339964.db2.gz YPOJKIBVHYNFLB-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336682735 386339969 /nfs/dbraw/zinc/33/99/69/386339969.db2.gz YPOJKIBVHYNFLB-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336682202 386341824 /nfs/dbraw/zinc/34/18/24/386341824.db2.gz CZXNOYAFBGSPQK-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000414746737 386347677 /nfs/dbraw/zinc/34/76/77/386347677.db2.gz SSJHIXSXTIUNTE-UPJWGTAASA-N 2 1 227.396 1.384 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(C)c1 ZINC000276621852 386355281 /nfs/dbraw/zinc/35/52/81/386355281.db2.gz IAIQLLVHVZGZMT-JTQLQIEISA-N 2 1 233.319 1.047 20 0 BDADMP COc1ccncc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000311187980 386370023 /nfs/dbraw/zinc/37/00/23/386370023.db2.gz CWPKGSHYJOUWNZ-RYUDHWBXSA-N 2 1 249.358 1.507 20 0 BDADMP COc1ccncc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000311187980 386370027 /nfs/dbraw/zinc/37/00/27/386370027.db2.gz CWPKGSHYJOUWNZ-RYUDHWBXSA-N 2 1 249.358 1.507 20 0 BDADMP CC(C)[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000336690389 386372008 /nfs/dbraw/zinc/37/20/08/386372008.db2.gz GVEWLKOMCVWWNN-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc2nccn21 ZINC000334495048 386373801 /nfs/dbraw/zinc/37/38/01/386373801.db2.gz CRZQANCYCBXESO-CMPLNLGQSA-N 2 1 231.299 1.289 20 0 BDADMP C[C@@]1(C[NH2+]Cc2cccnc2)CCC[NH2+]C1 ZINC000414907387 386382718 /nfs/dbraw/zinc/38/27/18/386382718.db2.gz QKGXUGOEZDZEPA-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000414906811 386383197 /nfs/dbraw/zinc/38/31/97/386383197.db2.gz AJOUDCROCBDLFR-GRYCIOLGSA-N 2 1 212.337 1.001 20 0 BDADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000336698623 386384996 /nfs/dbraw/zinc/38/49/96/386384996.db2.gz WVSBZASHWCNEOI-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000336698623 386385003 /nfs/dbraw/zinc/38/50/03/386385003.db2.gz WVSBZASHWCNEOI-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000336698623 386385009 /nfs/dbraw/zinc/38/50/09/386385009.db2.gz WVSBZASHWCNEOI-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000336677324 386327544 /nfs/dbraw/zinc/32/75/44/386327544.db2.gz AZTJGXLQGMBMJL-ZDUSSCGKSA-N 2 1 237.347 1.550 20 0 BDADMP COC[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000336677324 386327545 /nfs/dbraw/zinc/32/75/45/386327545.db2.gz AZTJGXLQGMBMJL-ZDUSSCGKSA-N 2 1 237.347 1.550 20 0 BDADMP COC[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000336677324 386327547 /nfs/dbraw/zinc/32/75/47/386327547.db2.gz AZTJGXLQGMBMJL-ZDUSSCGKSA-N 2 1 237.347 1.550 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911136 386452840 /nfs/dbraw/zinc/45/28/40/386452840.db2.gz WHWOBVHZPGISBL-UPJWGTAASA-N 3 1 225.380 1.249 20 0 BDADMP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1F ZINC000415008579 386395157 /nfs/dbraw/zinc/39/51/57/386395157.db2.gz MWBBIDOVGYXAFO-NXEZZACHSA-N 2 1 210.296 1.959 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCOC1)CC[NH2+]CC2 ZINC000335280004 386395377 /nfs/dbraw/zinc/39/53/77/386395377.db2.gz QHMNPXVQUSLDQS-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000414754626 386397769 /nfs/dbraw/zinc/39/77/69/386397769.db2.gz GILNVYLFAJETRO-XQQFMLRXSA-N 2 1 227.396 1.384 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccncc2)CC1 ZINC000277016281 386399493 /nfs/dbraw/zinc/39/94/93/386399493.db2.gz ABYBZQARSXPTTP-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000277016281 386399498 /nfs/dbraw/zinc/39/94/98/386399498.db2.gz ABYBZQARSXPTTP-CQSZACIVSA-N 2 1 233.359 1.998 20 0 BDADMP COCC[C@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647991128 386407856 /nfs/dbraw/zinc/40/78/56/386407856.db2.gz AWJYLKWSHQQHQG-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCOCC2(CCC2)C1 ZINC000647991173 386409400 /nfs/dbraw/zinc/40/94/00/386409400.db2.gz GEXDSRQYMGCDBV-GFCCVEGCSA-N 2 1 224.348 1.098 20 0 BDADMP Cc1ccc(CCC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000339407087 386410339 /nfs/dbraw/zinc/41/03/39/386410339.db2.gz KWWDFFBUYCNOTN-ZFWWWQNUSA-N 2 1 247.386 1.992 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)CO ZINC000336708748 386418331 /nfs/dbraw/zinc/41/83/31/386418331.db2.gz JBPKFACFVIDARL-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)CO ZINC000336708748 386418332 /nfs/dbraw/zinc/41/83/32/386418332.db2.gz JBPKFACFVIDARL-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(C)(C)CO ZINC000336708748 386418336 /nfs/dbraw/zinc/41/83/36/386418336.db2.gz JBPKFACFVIDARL-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP C[N@H+]1CC[C@H]2CCN(CC[NH2+]C(C)(C)C)[C@@H]2C1 ZINC000414761329 386418877 /nfs/dbraw/zinc/41/88/77/386418877.db2.gz SQDYTPKJKJSUBW-QWHCGFSZSA-N 2 1 239.407 1.401 20 0 BDADMP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCC[NH3+] ZINC000414761146 386419231 /nfs/dbraw/zinc/41/92/31/386419231.db2.gz SFPLKXAFAQKLMN-ZDUSSCGKSA-N 2 1 242.363 1.533 20 0 BDADMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCC[NH3+] ZINC000414761146 386419237 /nfs/dbraw/zinc/41/92/37/386419237.db2.gz SFPLKXAFAQKLMN-ZDUSSCGKSA-N 2 1 242.363 1.533 20 0 BDADMP C[C@@H](O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336708696 386419480 /nfs/dbraw/zinc/41/94/80/386419480.db2.gz IUWFHKDTUODOPY-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336708696 386419488 /nfs/dbraw/zinc/41/94/88/386419488.db2.gz IUWFHKDTUODOPY-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336708696 386419493 /nfs/dbraw/zinc/41/94/93/386419493.db2.gz IUWFHKDTUODOPY-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414762005 386421301 /nfs/dbraw/zinc/42/13/01/386421301.db2.gz VEZXIJJCVRCSAZ-WOPDTQHZSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000414763892 386431098 /nfs/dbraw/zinc/43/10/98/386431098.db2.gz YFDMNYPEOYENBS-IHRRRGAJSA-N 2 1 239.407 1.386 20 0 BDADMP CC[NH+](CC)[C@@H](C)C[NH2+]C[C@@H]1CCCOC1 ZINC000336778848 386478985 /nfs/dbraw/zinc/47/89/85/386478985.db2.gz MNBWJBXQODCGAS-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000415011122 386484594 /nfs/dbraw/zinc/48/45/94/386484594.db2.gz QEIDUBHSJFAQGS-NEPJUHHUSA-N 2 1 244.342 1.698 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417350655 386487801 /nfs/dbraw/zinc/48/78/01/386487801.db2.gz AULVDFGOAFLERG-FHUSYTEZSA-N 2 1 226.364 1.218 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000414779184 386492633 /nfs/dbraw/zinc/49/26/33/386492633.db2.gz FMZASWQUEOCSMV-NSHDSACASA-N 2 1 222.336 1.421 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000414779184 386492635 /nfs/dbraw/zinc/49/26/35/386492635.db2.gz FMZASWQUEOCSMV-NSHDSACASA-N 2 1 222.336 1.421 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)CO ZINC000339634797 386503255 /nfs/dbraw/zinc/50/32/55/386503255.db2.gz GSSSLGQOLUIGIW-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)CO ZINC000339634797 386503264 /nfs/dbraw/zinc/50/32/64/386503264.db2.gz GSSSLGQOLUIGIW-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)CO ZINC000339634797 386503270 /nfs/dbraw/zinc/50/32/70/386503270.db2.gz GSSSLGQOLUIGIW-NEPJUHHUSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@@H]1C[C@H](CN[C@@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000415050437 386505105 /nfs/dbraw/zinc/50/51/05/386505105.db2.gz YRZWLMQEFDQTIA-IJLUTSLNSA-N 2 1 225.380 1.105 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)s1 ZINC000415037470 386524950 /nfs/dbraw/zinc/52/49/50/386524950.db2.gz LGAVMVVGARZNDE-NSHDSACASA-N 2 1 240.372 1.525 20 0 BDADMP CO[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336721610 386457297 /nfs/dbraw/zinc/45/72/97/386457297.db2.gz ZNXDBOVDQNPEIV-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336721610 386457302 /nfs/dbraw/zinc/45/73/02/386457302.db2.gz ZNXDBOVDQNPEIV-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000336725934 386460938 /nfs/dbraw/zinc/46/09/38/386460938.db2.gz RRRNVPLGXLRUAC-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000336725928 386461126 /nfs/dbraw/zinc/46/11/26/386461126.db2.gz RRRNVPLGXLRUAC-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000415082489 386598202 /nfs/dbraw/zinc/59/82/02/386598202.db2.gz LVLLWFPZUDDECQ-ZIAGYGMSSA-N 2 1 245.370 1.464 20 0 BDADMP CCn1nccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415074212 386575338 /nfs/dbraw/zinc/57/53/38/386575338.db2.gz ZUECKNXQPVUJIJ-UHFFFAOYSA-N 2 1 222.336 1.135 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]CCC(C)(C)C ZINC000187662075 386576277 /nfs/dbraw/zinc/57/62/77/386576277.db2.gz XSUKXXWTIMMEAN-UHFFFAOYSA-N 2 1 230.396 1.981 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977535 386576471 /nfs/dbraw/zinc/57/64/71/386576471.db2.gz DBRVSPFNYLFKKP-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977609 386576870 /nfs/dbraw/zinc/57/68/70/386576870.db2.gz FEVXJIIRLGZDJT-KBPBESRZSA-N 2 1 239.407 1.308 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CC(C)C ZINC000417363044 386577613 /nfs/dbraw/zinc/57/76/13/386577613.db2.gz LDUYGKWIVYQHFW-RDBSUJKOSA-N 2 1 242.407 1.977 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977534 386577635 /nfs/dbraw/zinc/57/76/35/386577635.db2.gz DBRVSPFNYLFKKP-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000335412844 386578374 /nfs/dbraw/zinc/57/83/74/386578374.db2.gz NFRWELBJHANRSA-RISCZKNCSA-N 2 1 237.391 1.153 20 0 BDADMP CO[C@H](C[NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1 ZINC000415076493 386580567 /nfs/dbraw/zinc/58/05/67/386580567.db2.gz CPDDSAPCXOEZSI-GFCCVEGCSA-N 2 1 240.322 1.840 20 0 BDADMP CO[C@H](C[NH2+]C1CC[NH+](C)CC1)CC(C)C ZINC000417364494 386580686 /nfs/dbraw/zinc/58/06/86/386580686.db2.gz MCYFSDFQJOODEE-ZDUSSCGKSA-N 2 1 228.380 1.731 20 0 BDADMP c1cncc([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC000647995327 386538549 /nfs/dbraw/zinc/53/85/49/386538549.db2.gz OZKDJGMNQUKKIP-JSGCOSHPSA-N 2 1 231.343 1.480 20 0 BDADMP C[N@H+](C/C=C\c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000415064002 386544848 /nfs/dbraw/zinc/54/48/48/386544848.db2.gz BGTBMEDVNRQNKU-ZRMMWKCHSA-N 2 1 238.306 1.090 20 0 BDADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000415064002 386544852 /nfs/dbraw/zinc/54/48/52/386544852.db2.gz BGTBMEDVNRQNKU-ZRMMWKCHSA-N 2 1 238.306 1.090 20 0 BDADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCSC1)C1CCCC1 ZINC000415063517 386545672 /nfs/dbraw/zinc/54/56/72/386545672.db2.gz IKJDPWWJTGLLGS-VXGBXAGGSA-N 2 1 228.405 1.989 20 0 BDADMP CC[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415067769 386548355 /nfs/dbraw/zinc/54/83/55/386548355.db2.gz LMKOASYGEAHEMI-GXTWGEPZSA-N 2 1 236.359 1.432 20 0 BDADMP CC(C)n1cc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000415068554 386551557 /nfs/dbraw/zinc/55/15/57/386551557.db2.gz NDIKGJGTVXYYPZ-UHFFFAOYSA-N 2 1 236.363 1.696 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415067902 386552597 /nfs/dbraw/zinc/55/25/97/386552597.db2.gz LPBORQMXDBIGDQ-GHMZBOCLSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000415052562 386553866 /nfs/dbraw/zinc/55/38/66/386553866.db2.gz IPCQQBHSMYRYRP-OBJOEFQTSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H](CC[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415072570 386562429 /nfs/dbraw/zinc/56/24/29/386562429.db2.gz WUSWUYDDFLREDZ-OCCSQVGLSA-N 2 1 236.359 1.432 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647976703 386571319 /nfs/dbraw/zinc/57/13/19/386571319.db2.gz SENBRTYWMCIFRP-STQMWFEESA-N 2 1 249.358 1.886 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nn1C ZINC000414808738 386623575 /nfs/dbraw/zinc/62/35/75/386623575.db2.gz SRZPSANBONJEFF-DGCLKSJQSA-N 2 1 236.363 1.336 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCOC1 ZINC000353162881 386629068 /nfs/dbraw/zinc/62/90/68/386629068.db2.gz BANMYSCOFGPDAK-LBPRGKRZSA-N 2 1 249.358 1.664 20 0 BDADMP CC[C@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000415132961 386640348 /nfs/dbraw/zinc/64/03/48/386640348.db2.gz DEFFGIIIPBKEIV-YIYPIFLZSA-N 2 1 240.391 1.922 20 0 BDADMP CCC(N)(CC)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414812843 386642097 /nfs/dbraw/zinc/64/20/97/386642097.db2.gz SBQHZULQSALDKB-NEPJUHHUSA-N 2 1 227.396 1.482 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415146386 386642960 /nfs/dbraw/zinc/64/29/60/386642960.db2.gz YOUIUCGUOCUPDK-UMSGYPCISA-N 3 1 225.380 1.105 20 0 BDADMP CCC(N)(CC)C[NH2+]CC1CC[NH2+]CC1 ZINC000414816040 386654018 /nfs/dbraw/zinc/65/40/18/386654018.db2.gz YZLCJCPOAKFFAQ-UHFFFAOYSA-N 2 1 213.369 1.093 20 0 BDADMP CC[N@H+](CC[NH2+]C1CCOCC1)C(C)C ZINC000062767651 386600112 /nfs/dbraw/zinc/60/01/12/386600112.db2.gz XZFQJIBYIDOAGZ-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP CC[N@@H+](CC[NH2+]C1CCOCC1)C(C)C ZINC000062767651 386600115 /nfs/dbraw/zinc/60/01/15/386600115.db2.gz XZFQJIBYIDOAGZ-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000414804904 386608034 /nfs/dbraw/zinc/60/80/34/386608034.db2.gz YGAZWSSIANGMNQ-AVGNSLFASA-N 3 1 227.396 1.290 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000414804906 386610253 /nfs/dbraw/zinc/61/02/53/386610253.db2.gz YGAZWSSIANGMNQ-XQQFMLRXSA-N 3 1 227.396 1.290 20 0 BDADMP CC(C)[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1cccnc1 ZINC000415091633 386611189 /nfs/dbraw/zinc/61/11/89/386611189.db2.gz ZLROFLOTBGFPRI-UONOGXRCSA-N 2 1 233.359 1.773 20 0 BDADMP C[C@H](CN)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414923946 386613167 /nfs/dbraw/zinc/61/31/67/386613167.db2.gz FSQCNBAMAORXRZ-MRVPVSSYSA-N 2 1 230.258 1.725 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)on1 ZINC000647978655 386613574 /nfs/dbraw/zinc/61/35/74/386613574.db2.gz WHAVLIWMDKXFCC-STQMWFEESA-N 2 1 249.358 1.886 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647954658 386682880 /nfs/dbraw/zinc/68/28/80/386682880.db2.gz GAYJUUBGIMPCJU-CQSZACIVSA-N 3 1 239.407 1.437 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H]1CCSC1 ZINC000414818415 386657414 /nfs/dbraw/zinc/65/74/14/386657414.db2.gz VQZVUKNOPFDEQR-WDEREUQCSA-N 2 1 216.394 1.847 20 0 BDADMP CC(C)N1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414830684 386709172 /nfs/dbraw/zinc/70/91/72/386709172.db2.gz MGGAVUVOBSYAEA-CYBMUJFWSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCc2ccccc2C1 ZINC000357073470 386711039 /nfs/dbraw/zinc/71/10/39/386711039.db2.gz LRVKLONGHNEYKB-HNNXBMFYSA-N 2 1 248.370 1.451 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000357022656 386691723 /nfs/dbraw/zinc/69/17/23/386691723.db2.gz BHXUQRATFVKYQR-AWEZNQCLSA-N 2 1 234.343 1.799 20 0 BDADMP c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)co1 ZINC000357040673 386699330 /nfs/dbraw/zinc/69/93/30/386699330.db2.gz BZCIAGQFQFJLSX-LBPRGKRZSA-N 2 1 235.331 1.496 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000414829235 386702223 /nfs/dbraw/zinc/70/22/23/386702223.db2.gz MABZYXKREJLOLF-VXGBXAGGSA-N 2 1 214.353 1.391 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000520604817 386703397 /nfs/dbraw/zinc/70/33/97/386703397.db2.gz YVXCUWWQPXFQCO-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335545175 386730334 /nfs/dbraw/zinc/73/03/34/386730334.db2.gz XOYPQSXKYRLNNR-LBPRGKRZSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335545175 386730343 /nfs/dbraw/zinc/73/03/43/386730343.db2.gz XOYPQSXKYRLNNR-LBPRGKRZSA-N 2 1 248.374 1.682 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335545175 386730349 /nfs/dbraw/zinc/73/03/49/386730349.db2.gz XOYPQSXKYRLNNR-LBPRGKRZSA-N 2 1 248.374 1.682 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000325036962 386715593 /nfs/dbraw/zinc/71/55/93/386715593.db2.gz ODMPYDHXVKSNRX-OLZOCXBDSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cn1cccn1 ZINC000414835725 386728109 /nfs/dbraw/zinc/72/81/09/386728109.db2.gz HPUYEQSCOOZHLK-NWDGAFQWSA-N 2 1 224.352 1.235 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122319610 386741170 /nfs/dbraw/zinc/74/11/70/386741170.db2.gz WWQCWEMEGJKIDX-KWQFWETISA-N 2 1 223.320 1.461 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000122326763 386741880 /nfs/dbraw/zinc/74/18/80/386741880.db2.gz KUDNUPGNGMTRLZ-KWQFWETISA-N 2 1 239.388 1.929 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000414838841 386743082 /nfs/dbraw/zinc/74/30/82/386743082.db2.gz LRNKLZXCOZAADD-AVGNSLFASA-N 2 1 227.396 1.162 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000414838841 386743088 /nfs/dbraw/zinc/74/30/88/386743088.db2.gz LRNKLZXCOZAADD-AVGNSLFASA-N 3 1 227.396 1.162 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000414838841 386743097 /nfs/dbraw/zinc/74/30/97/386743097.db2.gz LRNKLZXCOZAADD-AVGNSLFASA-N 3 1 227.396 1.162 20 0 BDADMP CCSCC[C@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC000336668370 386795154 /nfs/dbraw/zinc/79/51/54/386795154.db2.gz WYCFYXPAALKTGT-UWVGGRQHSA-N 2 1 204.383 1.797 20 0 BDADMP CCSCC[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC000336668370 386795158 /nfs/dbraw/zinc/79/51/58/386795158.db2.gz WYCFYXPAALKTGT-UWVGGRQHSA-N 2 1 204.383 1.797 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000396560544 386774516 /nfs/dbraw/zinc/77/45/16/386774516.db2.gz JUNMTEKUMKZARE-SRVKXCTJSA-N 2 1 212.337 1.286 20 0 BDADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414844834 386783540 /nfs/dbraw/zinc/78/35/40/386783540.db2.gz CZXFIEOEFHXNFG-LBPRGKRZSA-N 2 1 236.363 1.553 20 0 BDADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414844833 386784231 /nfs/dbraw/zinc/78/42/31/386784231.db2.gz CZXFIEOEFHXNFG-GFCCVEGCSA-N 2 1 236.363 1.553 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071951 386786135 /nfs/dbraw/zinc/78/61/35/386786135.db2.gz CJGSOVHGEHHHSS-CHWSQXEVSA-N 2 1 238.375 1.439 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414935741 386821058 /nfs/dbraw/zinc/82/10/58/386821058.db2.gz CGGJMOLYGVCYDK-GHMZBOCLSA-N 2 1 242.363 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000414934344 386801054 /nfs/dbraw/zinc/80/10/54/386801054.db2.gz SWDQTEYBLFTPHF-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP c1ncc(CN2CC[NH+](C3CCC3)CC2)[nH]1 ZINC000280391614 386812421 /nfs/dbraw/zinc/81/24/21/386812421.db2.gz GLEQNZATEQXMGK-UHFFFAOYSA-N 2 1 220.320 1.080 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000336744400 386855431 /nfs/dbraw/zinc/85/54/31/386855431.db2.gz UVTNYRJTSIJHGL-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000336744400 386855434 /nfs/dbraw/zinc/85/54/34/386855434.db2.gz UVTNYRJTSIJHGL-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[NH+](C)CCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000336744400 386855438 /nfs/dbraw/zinc/85/54/38/386855438.db2.gz UVTNYRJTSIJHGL-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000166371704 386863074 /nfs/dbraw/zinc/86/30/74/386863074.db2.gz MEUXJKOCCJVNPM-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H](O)C[NH+](C)C ZINC000336744582 386868287 /nfs/dbraw/zinc/86/82/87/386868287.db2.gz QGMCYXMSDVDCPT-IUCAKERBSA-N 2 1 242.285 1.230 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccnc1 ZINC000051919446 386872688 /nfs/dbraw/zinc/87/26/88/386872688.db2.gz DSXLOAXSQLBCCE-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000366732961 386915043 /nfs/dbraw/zinc/91/50/43/386915043.db2.gz YNHUEXFQSVABJG-DGCLKSJQSA-N 2 1 249.358 1.460 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358223140 386915195 /nfs/dbraw/zinc/91/51/95/386915195.db2.gz ACWBWKGFKLMSHV-KGLIPLIRSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358223140 386915198 /nfs/dbraw/zinc/91/51/98/386915198.db2.gz ACWBWKGFKLMSHV-KGLIPLIRSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000358152417 386901039 /nfs/dbraw/zinc/90/10/39/386901039.db2.gz CAHMBXOWKLCWSO-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000358152417 386901044 /nfs/dbraw/zinc/90/10/44/386901044.db2.gz CAHMBXOWKLCWSO-HNNXBMFYSA-N 2 1 248.370 1.460 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000358168294 386905281 /nfs/dbraw/zinc/90/52/81/386905281.db2.gz NETXQKLBQMYKKG-IHRRRGAJSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCCC[C@@H]1N ZINC000331985784 386936725 /nfs/dbraw/zinc/93/67/25/386936725.db2.gz NAZUEPXCLLUQCB-WOPDTQHZSA-N 2 1 213.369 1.363 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000341886240 386983452 /nfs/dbraw/zinc/98/34/52/386983452.db2.gz XRXZDGBWARSHHC-RFQIPJPRSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]([NH2+]CCc1cnn(C)c1)[C@H]1CCCC[NH2+]1 ZINC000395163390 386952050 /nfs/dbraw/zinc/95/20/50/386952050.db2.gz KBDNXDXQYSELDG-WCQYABFASA-N 2 1 236.363 1.083 20 0 BDADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCO)C1 ZINC000304328259 387031335 /nfs/dbraw/zinc/03/13/35/387031335.db2.gz UCTLGRFNSIFTNH-CYBMUJFWSA-N 2 1 228.380 1.423 20 0 BDADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000333463759 387037762 /nfs/dbraw/zinc/03/77/62/387037762.db2.gz HCXHYCNTSNUUQM-JHJVBQTASA-N 2 1 248.374 1.657 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000107980470 387038728 /nfs/dbraw/zinc/03/87/28/387038728.db2.gz BRSCWPUTIRHHJA-CMPLNLGQSA-N 2 1 222.307 1.995 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000334978887 387066619 /nfs/dbraw/zinc/06/66/19/387066619.db2.gz CTWLPCFIZHRRMG-STQMWFEESA-N 2 1 249.358 1.805 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000228073567 387065525 /nfs/dbraw/zinc/06/55/25/387065525.db2.gz WJRYQBYSDKZSAA-IEECTRCBSA-N 2 1 228.380 1.464 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])c2nccn21 ZINC000333319274 387026263 /nfs/dbraw/zinc/02/62/63/387026263.db2.gz UDIRNZUTEINCEH-RHYQMDGZSA-N 2 1 234.347 1.606 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359220241 387069672 /nfs/dbraw/zinc/06/96/72/387069672.db2.gz OHIIQHRBZVGTCD-CQSZACIVSA-N 3 1 241.423 1.681 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC1CC[NH2+]CC1 ZINC000359229579 387070102 /nfs/dbraw/zinc/07/01/02/387070102.db2.gz YDJRCLUGFCIZGS-ZDUSSCGKSA-N 3 1 227.396 1.339 20 0 BDADMP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334984433 387072187 /nfs/dbraw/zinc/07/21/87/387072187.db2.gz ZBXQABDROGEMPI-AAEUAGOBSA-N 2 1 235.331 1.639 20 0 BDADMP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)on1 ZINC000334984433 387072191 /nfs/dbraw/zinc/07/21/91/387072191.db2.gz ZBXQABDROGEMPI-AAEUAGOBSA-N 2 1 235.331 1.639 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230542 387072446 /nfs/dbraw/zinc/07/24/46/387072446.db2.gz ZSHLRPVAMHPYHK-GXTWGEPZSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000334995402 387086242 /nfs/dbraw/zinc/08/62/42/387086242.db2.gz DADOUZLISONSBE-OKILXGFUSA-N 2 1 231.343 1.350 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000334995402 387086247 /nfs/dbraw/zinc/08/62/47/387086247.db2.gz DADOUZLISONSBE-OKILXGFUSA-N 2 1 231.343 1.350 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)n1 ZINC000334998259 387090910 /nfs/dbraw/zinc/09/09/10/387090910.db2.gz NFAXSVSJKBBMGS-ZDUSSCGKSA-N 2 1 233.359 1.869 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000335007937 387102052 /nfs/dbraw/zinc/10/20/52/387102052.db2.gz BTGMHYYGJWJBIS-MFKMUULPSA-N 2 1 237.322 1.698 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000335007938 387102537 /nfs/dbraw/zinc/10/25/37/387102537.db2.gz BTGMHYYGJWJBIS-ZWNOBZJWSA-N 2 1 237.322 1.698 20 0 BDADMP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000335008284 387103286 /nfs/dbraw/zinc/10/32/86/387103286.db2.gz RRQHDZMNHPDINH-ZYGVAYEYSA-N 2 1 214.328 1.997 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000423300475 387132019 /nfs/dbraw/zinc/13/20/19/387132019.db2.gz DYJPYWUVRHCKHM-RFQIPJPRSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cn1 ZINC000335028696 387121734 /nfs/dbraw/zinc/12/17/34/387121734.db2.gz YUYLERONAYHDKK-QWHCGFSZSA-N 2 1 219.332 1.668 20 0 BDADMP CC[N@H+](Cc1cccs1)C[C@@](C)(O)C[NH2+]C ZINC000571887259 387192623 /nfs/dbraw/zinc/19/26/23/387192623.db2.gz AXNVXVODYLZTPJ-LBPRGKRZSA-N 2 1 242.388 1.540 20 0 BDADMP CC[N@@H+](Cc1cccs1)C[C@@](C)(O)C[NH2+]C ZINC000571887259 387192627 /nfs/dbraw/zinc/19/26/27/387192627.db2.gz AXNVXVODYLZTPJ-LBPRGKRZSA-N 2 1 242.388 1.540 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH3+])[C@@H]2CCC[C@H]21 ZINC000423316629 387156085 /nfs/dbraw/zinc/15/60/85/387156085.db2.gz BXSRDDYIGZNZHL-RWMBFGLXSA-N 3 1 225.380 1.188 20 0 BDADMP CN1CC[C@H]([NH2+]CCCC[NH3+])[C@@H]2CCC[C@H]21 ZINC000423316629 387156088 /nfs/dbraw/zinc/15/60/88/387156088.db2.gz BXSRDDYIGZNZHL-RWMBFGLXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@H](NCC2([NH3+])CCC2)C[N@H+]1C1CC1 ZINC000423321343 387164534 /nfs/dbraw/zinc/16/45/34/387164534.db2.gz HISYTJULTXJXFS-MNOVXSKESA-N 2 1 223.364 1.083 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)CN1C1CC1 ZINC000423321343 387164536 /nfs/dbraw/zinc/16/45/36/387164536.db2.gz HISYTJULTXJXFS-MNOVXSKESA-N 2 1 223.364 1.083 20 0 BDADMP Cn1nccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250804075 387171632 /nfs/dbraw/zinc/17/16/32/387171632.db2.gz KPJMDHQQYRRBSQ-MGPQQGTHSA-N 2 1 248.374 1.430 20 0 BDADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccncc1 ZINC000423330920 387176609 /nfs/dbraw/zinc/17/66/09/387176609.db2.gz UJZOBTHFBDITPP-OLZOCXBDSA-N 2 1 219.332 1.860 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622082 387187596 /nfs/dbraw/zinc/18/75/96/387187596.db2.gz SXASEJPJSIIXQQ-MCIONIFRSA-N 2 1 240.391 1.754 20 0 BDADMP C(COCC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229621930 387187979 /nfs/dbraw/zinc/18/79/79/387187979.db2.gz KNYASIFKNTYDDT-ZIAGYGMSSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C(C)C ZINC000571940481 387206531 /nfs/dbraw/zinc/20/65/31/387206531.db2.gz WVQGUTAIROIDDX-RYUDHWBXSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C(C)C ZINC000571940481 387206532 /nfs/dbraw/zinc/20/65/32/387206532.db2.gz WVQGUTAIROIDDX-RYUDHWBXSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1C(C)C ZINC000571940481 387206535 /nfs/dbraw/zinc/20/65/35/387206535.db2.gz WVQGUTAIROIDDX-RYUDHWBXSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1C(C)C ZINC000571940481 387206536 /nfs/dbraw/zinc/20/65/36/387206536.db2.gz WVQGUTAIROIDDX-RYUDHWBXSA-N 2 1 214.353 1.029 20 0 BDADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCOCC1 ZINC000423355982 387208660 /nfs/dbraw/zinc/20/86/60/387208660.db2.gz GELLPUABSZFJJG-MDZLAQPJSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cncs1 ZINC000423357118 387208776 /nfs/dbraw/zinc/20/87/76/387208776.db2.gz HTSJYIMJEBVQGA-VHSXEESVSA-N 2 1 225.361 1.936 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289285925 387210418 /nfs/dbraw/zinc/21/04/18/387210418.db2.gz ALBJAAJREBUIDA-WFASDCNBSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289285925 387210421 /nfs/dbraw/zinc/21/04/21/387210421.db2.gz ALBJAAJREBUIDA-WFASDCNBSA-N 2 1 248.370 1.792 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423367497 387218699 /nfs/dbraw/zinc/21/86/99/387218699.db2.gz MOZVWDVCUJLKKF-QJPTWQEYSA-N 2 1 236.363 1.824 20 0 BDADMP C1CC([N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000371464173 387219512 /nfs/dbraw/zinc/21/95/12/387219512.db2.gz PHLILYKYWVXWME-FPMFFAJLSA-N 2 1 220.360 1.955 20 0 BDADMP C1CC([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000371464173 387219517 /nfs/dbraw/zinc/21/95/17/387219517.db2.gz PHLILYKYWVXWME-FPMFFAJLSA-N 2 1 220.360 1.955 20 0 BDADMP C1CC([NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000371464173 387219518 /nfs/dbraw/zinc/21/95/18/387219518.db2.gz PHLILYKYWVXWME-FPMFFAJLSA-N 2 1 220.360 1.955 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C12CCCC2 ZINC000423368586 387221919 /nfs/dbraw/zinc/22/19/19/387221919.db2.gz NJLTZGNLRMHOSQ-SRVKXCTJSA-N 2 1 226.364 1.661 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)OC ZINC000353554853 387228872 /nfs/dbraw/zinc/22/88/72/387228872.db2.gz APYQYAXNBGEDPW-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccoc1 ZINC000423396721 387231952 /nfs/dbraw/zinc/23/19/52/387231952.db2.gz UGWBBTJJSCPVJU-WDEREUQCSA-N 2 1 210.321 1.798 20 0 BDADMP C[NH+](C)CCSCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000371620834 387233802 /nfs/dbraw/zinc/23/38/02/387233802.db2.gz YNWKCMQMXNLRDK-TXEJJXNPSA-N 2 1 244.404 1.144 20 0 BDADMP CCN[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423398982 387235533 /nfs/dbraw/zinc/23/55/33/387235533.db2.gz VTEASOFCLVYOEX-GHMZBOCLSA-N 2 1 201.358 1.092 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423402570 387237230 /nfs/dbraw/zinc/23/72/30/387237230.db2.gz YLQIHSYYYKTHJD-AGIUHOORSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423402572 387238102 /nfs/dbraw/zinc/23/81/02/387238102.db2.gz YLQIHSYYYKTHJD-JHJVBQTASA-N 2 1 240.391 1.779 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353610548 387239911 /nfs/dbraw/zinc/23/99/11/387239911.db2.gz WRTGAISBWUGYTQ-FQUUOJAGSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423406605 387244056 /nfs/dbraw/zinc/24/40/56/387244056.db2.gz UXEBRIJZOOHRKQ-RYUDHWBXSA-N 2 1 221.348 1.730 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000423419140 387247478 /nfs/dbraw/zinc/24/74/78/387247478.db2.gz APGUUTLKMDXYAK-KMLBCRHOSA-N 2 1 220.291 1.694 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccs1 ZINC000423418824 387247755 /nfs/dbraw/zinc/24/77/55/387247755.db2.gz AGJQFVGHSVJWMY-WYOJIJJFSA-N 2 1 208.330 1.617 20 0 BDADMP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000423344811 387195286 /nfs/dbraw/zinc/19/52/86/387195286.db2.gz YEXPDZUUJSNTHL-QWHCGFSZSA-N 2 1 239.407 1.496 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353687439 387259411 /nfs/dbraw/zinc/25/94/11/387259411.db2.gz ZYHZSWBNAJXMPT-ODXJTPSBSA-N 2 1 240.391 1.608 20 0 BDADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[NH3+])CC2 ZINC000423378219 387260520 /nfs/dbraw/zinc/26/05/20/387260520.db2.gz WGDSVMZDUABZCZ-TVQRCGJNSA-N 2 1 220.316 1.619 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423468923 387317166 /nfs/dbraw/zinc/31/71/66/387317166.db2.gz JYMYRUJHCYLQBA-ZOBORPQBSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CCN1C ZINC000423468923 387317172 /nfs/dbraw/zinc/31/71/72/387317172.db2.gz JYMYRUJHCYLQBA-ZOBORPQBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000423468920 387317246 /nfs/dbraw/zinc/31/72/46/387317246.db2.gz JYMYRUJHCYLQBA-XJFOESAGSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CCN1C ZINC000423468920 387317249 /nfs/dbraw/zinc/31/72/49/387317249.db2.gz JYMYRUJHCYLQBA-XJFOESAGSA-N 2 1 239.407 1.576 20 0 BDADMP COCC1CCC([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423380243 387262358 /nfs/dbraw/zinc/26/23/58/387262358.db2.gz NLZXMYLYHCQJFW-ABXWRUBCSA-N 2 1 240.391 1.922 20 0 BDADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@@H+](C)CC ZINC000353758971 387269481 /nfs/dbraw/zinc/26/94/81/387269481.db2.gz LNQKYJILVJXPLS-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cncc(F)c1 ZINC000423392737 387279464 /nfs/dbraw/zinc/27/94/64/387279464.db2.gz LYNYSXYWGMXJKX-OUJBWJOFSA-N 2 1 237.322 1.869 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000423396018 387281111 /nfs/dbraw/zinc/28/11/11/387281111.db2.gz SWPWMQCLRFBKOH-VPOLOUISSA-N 2 1 200.326 1.140 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cnn(C)c1 ZINC000423437649 387288533 /nfs/dbraw/zinc/28/85/33/387288533.db2.gz GKFTXJFSYCCFMH-KKZNHRDASA-N 2 1 210.325 1.197 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423440684 387290605 /nfs/dbraw/zinc/29/06/05/387290605.db2.gz AWHNRBONPGEXSO-GXSJLCMTSA-N 2 1 236.315 1.803 20 0 BDADMP COc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423439506 387290617 /nfs/dbraw/zinc/29/06/17/387290617.db2.gz SIDBZMTWRKLGBN-QQUHWDOBSA-N 2 1 232.327 1.564 20 0 BDADMP Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423443222 387292985 /nfs/dbraw/zinc/29/29/85/387292985.db2.gz VOAFPZOGGTYXSW-LJISPDSOSA-N 2 1 244.338 1.577 20 0 BDADMP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444783 387294368 /nfs/dbraw/zinc/29/43/68/387294368.db2.gz XFTPMBWJUMHRDL-RFQIPJPRSA-N 2 1 214.312 1.481 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423447548 387296933 /nfs/dbraw/zinc/29/69/33/387296933.db2.gz ZVCULGLTHOOHBB-ZOWXZIJZSA-N 2 1 247.386 1.589 20 0 BDADMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)on1 ZINC000353947741 387301725 /nfs/dbraw/zinc/30/17/25/387301725.db2.gz OUHOQMQFHUHATO-OLZOCXBDSA-N 2 1 249.358 1.742 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccncc1 ZINC000423461023 387309037 /nfs/dbraw/zinc/30/90/37/387309037.db2.gz JFWPRIOTGZOPLA-NWDGAFQWSA-N 2 1 207.321 1.860 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423520105 387354144 /nfs/dbraw/zinc/35/41/44/387354144.db2.gz DQCTZCJCGXSENO-BZPMIXESSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423520105 387354147 /nfs/dbraw/zinc/35/41/47/387354147.db2.gz DQCTZCJCGXSENO-BZPMIXESSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423520105 387354153 /nfs/dbraw/zinc/35/41/53/387354153.db2.gz DQCTZCJCGXSENO-BZPMIXESSA-N 3 1 239.407 1.447 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000423522749 387356285 /nfs/dbraw/zinc/35/62/85/387356285.db2.gz RPHOSLVZSOJTNL-KGLIPLIRSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423530767 387358334 /nfs/dbraw/zinc/35/83/34/387358334.db2.gz ZDVYXFWSPULLQY-UPJWGTAASA-N 2 1 239.407 1.304 20 0 BDADMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423529677 387358477 /nfs/dbraw/zinc/35/84/77/387358477.db2.gz XTUDZPCLMRCEHI-CHWSQXEVSA-N 2 1 241.423 1.694 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423530765 387359153 /nfs/dbraw/zinc/35/91/53/387359153.db2.gz ZDVYXFWSPULLQY-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H](NCCC1=CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423536060 387360500 /nfs/dbraw/zinc/36/05/00/387360500.db2.gz GISGBXCANGHSGD-WCQYABFASA-N 2 1 223.364 1.026 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000336541438 387363872 /nfs/dbraw/zinc/36/38/72/387363872.db2.gz HCMLPOLJESQZFG-AAEUAGOBSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000336541439 387364446 /nfs/dbraw/zinc/36/44/46/387364446.db2.gz HCMLPOLJESQZFG-DGCLKSJQSA-N 2 1 245.370 1.824 20 0 BDADMP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000423545673 387369860 /nfs/dbraw/zinc/36/98/60/387369860.db2.gz YHEVFNWONYCMSS-JSGCOSHPSA-N 2 1 237.391 1.416 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[N@H+]1C ZINC000423555071 387376319 /nfs/dbraw/zinc/37/63/19/387376319.db2.gz LQDFVBFFCJUWKH-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C(C[NH2+]C1CC1)C[NH2+]C1CCN(C2CC2)CC1 ZINC000423572068 387379404 /nfs/dbraw/zinc/37/94/04/387379404.db2.gz YFONPLABAGBJMY-UHFFFAOYSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462774 387322247 /nfs/dbraw/zinc/32/22/47/387322247.db2.gz LBHJWBZPUBIVIB-LOWVWBTDSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000643462774 387322253 /nfs/dbraw/zinc/32/22/53/387322253.db2.gz LBHJWBZPUBIVIB-LOWVWBTDSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000423476602 387324778 /nfs/dbraw/zinc/32/47/78/387324778.db2.gz JBSGCONMFAHRQJ-HZSPNIEDSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CCN1C ZINC000423476602 387324782 /nfs/dbraw/zinc/32/47/82/387324782.db2.gz JBSGCONMFAHRQJ-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP CC[N@@H+]1C[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@@H](C)C1 ZINC000423501190 387341171 /nfs/dbraw/zinc/34/11/71/387341171.db2.gz AYZMSWIPAUKMOR-RFQIPJPRSA-N 2 1 239.407 1.243 20 0 BDADMP COCCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423501988 387342142 /nfs/dbraw/zinc/34/21/42/387342142.db2.gz LQMPOCLUSWWVMD-DGCLKSJQSA-N 2 1 228.380 1.909 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccccc2C1 ZINC000515174994 387342898 /nfs/dbraw/zinc/34/28/98/387342898.db2.gz YIXSXBBEFNFRHX-AWEZNQCLSA-N 2 1 234.343 1.015 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2ccccc2C1 ZINC000515174994 387342909 /nfs/dbraw/zinc/34/29/09/387342909.db2.gz YIXSXBBEFNFRHX-AWEZNQCLSA-N 2 1 234.343 1.015 20 0 BDADMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCC1 ZINC000423509814 387345929 /nfs/dbraw/zinc/34/59/29/387345929.db2.gz JJUFEMQIOWWJDR-KGLIPLIRSA-N 2 1 239.407 1.448 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000423510329 387346170 /nfs/dbraw/zinc/34/61/70/387346170.db2.gz JNTPQTBMQPWHTF-SYQHCUMBSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423513652 387348201 /nfs/dbraw/zinc/34/82/01/387348201.db2.gz VNBUYISXHURPPB-RAIGVLPGSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423513652 387348205 /nfs/dbraw/zinc/34/82/05/387348205.db2.gz VNBUYISXHURPPB-RAIGVLPGSA-N 2 1 225.380 1.044 20 0 BDADMP CC[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519422 387353427 /nfs/dbraw/zinc/35/34/27/387353427.db2.gz PSSLPRLZSYGBOG-IYXRBSQSSA-N 2 1 239.407 1.591 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@H](C)[NH3+] ZINC000423779899 387424953 /nfs/dbraw/zinc/42/49/53/387424953.db2.gz VZOMHUSAENNMKC-RYUDHWBXSA-N 2 1 243.395 1.350 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000423839160 387435603 /nfs/dbraw/zinc/43/56/03/387435603.db2.gz CMAKNXRAXWBNFV-GFCCVEGCSA-N 2 1 241.379 1.057 20 0 BDADMP COCC1([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000643470258 387445298 /nfs/dbraw/zinc/44/52/98/387445298.db2.gz KHRZTRYLSXQFDJ-OLZOCXBDSA-N 2 1 232.327 1.900 20 0 BDADMP CSC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000304235123 387450508 /nfs/dbraw/zinc/45/05/08/387450508.db2.gz BTQLIFYCVGLHKD-LLVKDONJSA-N 2 1 240.416 1.956 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336611204 387453305 /nfs/dbraw/zinc/45/33/05/387453305.db2.gz LRSDMBCOVAMWKQ-FUNVUKJBSA-N 2 1 248.374 1.741 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336611204 387453308 /nfs/dbraw/zinc/45/33/08/387453308.db2.gz LRSDMBCOVAMWKQ-FUNVUKJBSA-N 2 1 248.374 1.741 20 0 BDADMP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000515637872 387404267 /nfs/dbraw/zinc/40/42/67/387404267.db2.gz ZTFHFYGVPNQRPI-OLZOCXBDSA-N 2 1 228.380 1.467 20 0 BDADMP CC[C@@H](Cc1cccs1)[NH2+]CC[NH2+]C ZINC000643504473 387418378 /nfs/dbraw/zinc/41/83/78/387418378.db2.gz WJORPSRUNRBNQL-JTQLQIEISA-N 2 1 212.362 1.878 20 0 BDADMP C[C@]1(CNC(N)=[NH2+])CC[N@@H+](Cc2ccccc2)C1 ZINC000307642154 387529176 /nfs/dbraw/zinc/52/91/76/387529176.db2.gz LBQHDHFSZWFOQZ-CQSZACIVSA-N 2 1 246.358 1.382 20 0 BDADMP C[N@@H+](CCCO)C1CCN(CC2(F)CC2)CC1 ZINC000527219702 387535811 /nfs/dbraw/zinc/53/58/11/387535811.db2.gz XMIHHXKAUWXFGM-UHFFFAOYSA-N 2 1 244.354 1.267 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(CC2(F)CC2)C1 ZINC000527219252 387537981 /nfs/dbraw/zinc/53/79/81/387537981.db2.gz AAAVESHKBOSXQJ-LLVKDONJSA-N 2 1 214.328 1.762 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C)O ZINC000192823867 387539097 /nfs/dbraw/zinc/53/90/97/387539097.db2.gz DUJHGDVVWWEQAC-GFCCVEGCSA-N 2 1 239.363 1.538 20 0 BDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C)O ZINC000192823867 387539102 /nfs/dbraw/zinc/53/91/02/387539102.db2.gz DUJHGDVVWWEQAC-GFCCVEGCSA-N 2 1 239.363 1.538 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](C)O ZINC000361505492 387473482 /nfs/dbraw/zinc/47/34/82/387473482.db2.gz PIRJINVZUZCUHR-LLVKDONJSA-N 2 1 202.342 1.031 20 0 BDADMP Cc1ccc(CCC[N@H+]2C[C@H](CO)[C@H](C)C2)cn1 ZINC000355147703 387486652 /nfs/dbraw/zinc/48/66/52/387486652.db2.gz DHBMRVQPHSMWJI-IUODEOHRSA-N 2 1 248.370 1.883 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000643510608 387583326 /nfs/dbraw/zinc/58/33/26/387583326.db2.gz WUTSQBKFBZKDKN-JQWIXIFHSA-N 2 1 236.363 1.758 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000430545495 387628210 /nfs/dbraw/zinc/62/82/10/387628210.db2.gz BCMUSACDLFYFJN-AWEZNQCLSA-N 2 1 249.358 1.249 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422715937 387628494 /nfs/dbraw/zinc/62/84/94/387628494.db2.gz SYXUCRPDFPPIBB-KWBADKCTSA-N 2 1 237.347 1.552 20 0 BDADMP C[NH+](C)C1CCC([NH2+]CCNC(C)(C)C)CC1 ZINC000422555437 387598825 /nfs/dbraw/zinc/59/88/25/387598825.db2.gz PTILFXDLQUFFRD-UHFFFAOYSA-N 2 1 241.423 1.837 20 0 BDADMP C[NH+](C)C1CCC(NCC[NH2+]C(C)(C)C)CC1 ZINC000422555437 387598831 /nfs/dbraw/zinc/59/88/31/387598831.db2.gz PTILFXDLQUFFRD-UHFFFAOYSA-N 2 1 241.423 1.837 20 0 BDADMP [NH3+]C1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000527532659 387600162 /nfs/dbraw/zinc/60/01/62/387600162.db2.gz NKSITTBIIRSRKB-MCIGGMRASA-N 2 1 223.364 1.131 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000422635892 387611233 /nfs/dbraw/zinc/61/12/33/387611233.db2.gz LZXJLNXFNIIXIB-DYEKYZERSA-N 2 1 240.391 1.718 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422694303 387613082 /nfs/dbraw/zinc/61/30/82/387613082.db2.gz NSQCTRMRPMOITA-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422703596 387619281 /nfs/dbraw/zinc/61/92/81/387619281.db2.gz NMTQEOQSFSHOFE-KBPBESRZSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000527532934 387622370 /nfs/dbraw/zinc/62/23/70/387622370.db2.gz QQFCKHDLIXDMEQ-HBNTYKKESA-N 2 1 210.321 1.038 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422708542 387623739 /nfs/dbraw/zinc/62/37/39/387623739.db2.gz JBRPMMDMTHMPFX-KGLIPLIRSA-N 2 1 241.423 1.968 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422712483 387625556 /nfs/dbraw/zinc/62/55/56/387625556.db2.gz OHIRKFQXEDKTNB-NEPJUHHUSA-N 2 1 215.385 1.434 20 0 BDADMP CCCCN(C)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422712483 387625559 /nfs/dbraw/zinc/62/55/59/387625559.db2.gz OHIRKFQXEDKTNB-NEPJUHHUSA-N 2 1 215.385 1.434 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]CC1=CCCOC1 ZINC000124642593 387625636 /nfs/dbraw/zinc/62/56/36/387625636.db2.gz BSMCRKSHPORXCW-UHFFFAOYSA-N 2 1 226.364 1.653 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000036864515 387555695 /nfs/dbraw/zinc/55/56/95/387555695.db2.gz KDJHCFIJJZVZII-UHFFFAOYSA-N 2 1 238.379 1.704 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)COC)[C@@H](C)C1 ZINC000426339923 387556253 /nfs/dbraw/zinc/55/62/53/387556253.db2.gz YDQNNIBFKMXJFO-STQMWFEESA-N 2 1 242.407 1.979 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422724548 387633856 /nfs/dbraw/zinc/63/38/56/387633856.db2.gz VYQDRJDHWBNTRY-STQMWFEESA-N 3 1 236.363 1.299 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCCCOC)C1 ZINC000430605999 387634075 /nfs/dbraw/zinc/63/40/75/387634075.db2.gz VBUIXCXDSVQAEC-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000124991753 387637807 /nfs/dbraw/zinc/63/78/07/387637807.db2.gz PJYIVTJGFWDFNH-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000124991753 387637810 /nfs/dbraw/zinc/63/78/10/387637810.db2.gz PJYIVTJGFWDFNH-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000124991753 387637816 /nfs/dbraw/zinc/63/78/16/387637816.db2.gz PJYIVTJGFWDFNH-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCCCO1 ZINC000124991753 387637820 /nfs/dbraw/zinc/63/78/20/387637820.db2.gz PJYIVTJGFWDFNH-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000124991753 387637827 /nfs/dbraw/zinc/63/78/27/387637827.db2.gz PJYIVTJGFWDFNH-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)C1C[NH2+]C1 ZINC000422729318 387639075 /nfs/dbraw/zinc/63/90/75/387639075.db2.gz KKICXXWOTUECHC-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCO1 ZINC000125100590 387643641 /nfs/dbraw/zinc/64/36/41/387643641.db2.gz IYRSPALLCRFUOO-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCO1 ZINC000125100590 387643647 /nfs/dbraw/zinc/64/36/47/387643647.db2.gz IYRSPALLCRFUOO-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000422737407 387645135 /nfs/dbraw/zinc/64/51/35/387645135.db2.gz IAOIYJJKTMDZLR-WZRBSPASSA-N 2 1 225.380 1.199 20 0 BDADMP CCOc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422738486 387646191 /nfs/dbraw/zinc/64/61/91/387646191.db2.gz JJYIAGXVNDQOOB-LLVKDONJSA-N 2 1 234.343 1.783 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000376519629 387647095 /nfs/dbraw/zinc/64/70/95/387647095.db2.gz RCSHYNQGUAQPOM-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000422745961 387647633 /nfs/dbraw/zinc/64/76/33/387647633.db2.gz NBXVMIFHOXSTDA-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000422747236 387650426 /nfs/dbraw/zinc/65/04/26/387650426.db2.gz YDXHFJXXLXOMHQ-NQBHXWOUSA-N 2 1 225.380 1.057 20 0 BDADMP CC[C@H](NC[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746222 387650972 /nfs/dbraw/zinc/65/09/72/387650972.db2.gz WEWVQQOOCRDDPK-XBFCOCLRSA-N 2 1 239.407 1.589 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422747457 387651308 /nfs/dbraw/zinc/65/13/08/387651308.db2.gz YSMISYMCUHVGNP-IACUBPJLSA-N 2 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000422747457 387651312 /nfs/dbraw/zinc/65/13/12/387651312.db2.gz YSMISYMCUHVGNP-IACUBPJLSA-N 2 1 237.391 1.473 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH3+])C[C@H]1C ZINC000430799140 387652085 /nfs/dbraw/zinc/65/20/85/387652085.db2.gz APCDWZGBANJMME-NEPJUHHUSA-N 2 1 241.379 1.057 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000422758804 387660410 /nfs/dbraw/zinc/66/04/10/387660410.db2.gz JZFONUKJWVAJPA-FRRDWIJNSA-N 2 1 242.407 1.904 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+](C)Cc1ccccc1 ZINC000422756562 387660642 /nfs/dbraw/zinc/66/06/42/387660642.db2.gz JASJJMUORMQZBC-UONOGXRCSA-N 2 1 249.402 1.834 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@@H+](C)Cc1ccccc1 ZINC000422756562 387660647 /nfs/dbraw/zinc/66/06/47/387660647.db2.gz JASJJMUORMQZBC-UONOGXRCSA-N 2 1 249.402 1.834 20 0 BDADMP COc1cccc(CCC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430964314 387665376 /nfs/dbraw/zinc/66/53/76/387665376.db2.gz YSCRIXLMDQEEDE-AWEZNQCLSA-N 2 1 248.370 1.908 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1(C)C ZINC000422771511 387669838 /nfs/dbraw/zinc/66/98/38/387669838.db2.gz VSJHGEZXVYEGJO-MROQNXINSA-N 2 1 240.391 1.778 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125969286 387670277 /nfs/dbraw/zinc/67/02/77/387670277.db2.gz YMGCCXFCOQIXQJ-ZIAGYGMSSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000125969286 387670282 /nfs/dbraw/zinc/67/02/82/387670282.db2.gz YMGCCXFCOQIXQJ-ZIAGYGMSSA-N 2 1 248.374 1.445 20 0 BDADMP CC[C@@H](F)CN1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000440711269 387676771 /nfs/dbraw/zinc/67/67/71/387676771.db2.gz INMOKVCCXWHVOB-VXGBXAGGSA-N 2 1 246.370 1.512 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1C[C@H]1C1CC1 ZINC000527726549 387677730 /nfs/dbraw/zinc/67/77/30/387677730.db2.gz JJARKJBSSFPKDX-BPNCWPANSA-N 2 1 233.359 1.987 20 0 BDADMP COC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000126335877 387679139 /nfs/dbraw/zinc/67/91/39/387679139.db2.gz ITBFNCLOEGGTBB-AWEZNQCLSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422782435 387679934 /nfs/dbraw/zinc/67/99/34/387679934.db2.gz MYHGBYHMHHSKSK-WOPDTQHZSA-N 2 1 214.353 1.124 20 0 BDADMP CC(C)[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128290173 387743135 /nfs/dbraw/zinc/74/31/35/387743135.db2.gz LKNBBQOHTSMJFG-AWEZNQCLSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@H]1CCCOC1 ZINC000356905174 387744067 /nfs/dbraw/zinc/74/40/67/387744067.db2.gz UQDSKQUFLGYRSQ-FPMFFAJLSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862096 387744445 /nfs/dbraw/zinc/74/44/45/387744445.db2.gz NJVMRFHSXYPWOY-MJBXVCDLSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](NCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862089 387745151 /nfs/dbraw/zinc/74/51/51/387745151.db2.gz NJVMRFHSXYPWOY-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@H]1CCC[NH2+]1 ZINC000422805858 387705544 /nfs/dbraw/zinc/70/55/44/387705544.db2.gz JVWYGNSAJIBQFM-KWCYVHTRSA-N 2 1 246.354 1.720 20 0 BDADMP CC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377262302 387708984 /nfs/dbraw/zinc/70/89/84/387708984.db2.gz OKKNIIDBCACSRQ-LBPRGKRZSA-N 2 1 212.337 1.382 20 0 BDADMP CC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377262302 387708988 /nfs/dbraw/zinc/70/89/88/387708988.db2.gz OKKNIIDBCACSRQ-LBPRGKRZSA-N 2 1 212.337 1.382 20 0 BDADMP C[N@@H+](Cc1cc[nH]c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377859666 387755239 /nfs/dbraw/zinc/75/52/39/387755239.db2.gz IVMUBHLKFKMNLS-GFCCVEGCSA-N 2 1 244.342 1.906 20 0 BDADMP C[N@H+](Cc1cc[nH]c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377859666 387755247 /nfs/dbraw/zinc/75/52/47/387755247.db2.gz IVMUBHLKFKMNLS-GFCCVEGCSA-N 2 1 244.342 1.906 20 0 BDADMP CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422813824 387710862 /nfs/dbraw/zinc/71/08/62/387710862.db2.gz SMKYPPBQMYRRQV-QWHCGFSZSA-N 2 1 240.391 1.781 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000422876968 387755320 /nfs/dbraw/zinc/75/53/20/387755320.db2.gz GZWOECFOXCBDKJ-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP CCN(CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000422876968 387755327 /nfs/dbraw/zinc/75/53/27/387755327.db2.gz GZWOECFOXCBDKJ-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000127568818 387719847 /nfs/dbraw/zinc/71/98/47/387719847.db2.gz YSQPBSRTIRMHFU-MJBXVCDLSA-N 2 1 241.423 1.647 20 0 BDADMP COCCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422829062 387721673 /nfs/dbraw/zinc/72/16/73/387721673.db2.gz UMOSYKAMZVCMDG-RYUDHWBXSA-N 2 1 214.353 1.391 20 0 BDADMP C[N@@H+](Cc1cc[nH]c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377859667 387755569 /nfs/dbraw/zinc/75/55/69/387755569.db2.gz IVMUBHLKFKMNLS-LBPRGKRZSA-N 2 1 244.342 1.906 20 0 BDADMP C[N@H+](Cc1cc[nH]c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377859667 387755571 /nfs/dbraw/zinc/75/55/71/387755571.db2.gz IVMUBHLKFKMNLS-LBPRGKRZSA-N 2 1 244.342 1.906 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422832550 387725656 /nfs/dbraw/zinc/72/56/56/387725656.db2.gz XYAMMMLXJOCLHO-KGLIPLIRSA-N 2 1 241.423 1.696 20 0 BDADMP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cn1 ZINC000422838637 387727852 /nfs/dbraw/zinc/72/78/52/387727852.db2.gz XWFRVWWYAAYKOE-NEPJUHHUSA-N 2 1 234.347 1.117 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)CN1CCCCC1 ZINC000422838089 387729119 /nfs/dbraw/zinc/72/91/19/387729119.db2.gz VZTUCJMTGTXXLE-XQQFMLRXSA-N 2 1 227.396 1.576 20 0 BDADMP COC1CCC(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422834960 387729820 /nfs/dbraw/zinc/72/98/20/387729820.db2.gz IADMTWKRHRIADM-RYSNWHEDSA-N 2 1 240.391 1.779 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128055112 387734182 /nfs/dbraw/zinc/73/41/82/387734182.db2.gz SSCZUFZLJGZCTH-XQQFMLRXSA-N 2 1 226.364 1.364 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000422847143 387734262 /nfs/dbraw/zinc/73/42/62/387734262.db2.gz HLOIFJBDCWGSRZ-IRCOFANPSA-N 2 1 226.364 1.530 20 0 BDADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643527513 387765306 /nfs/dbraw/zinc/76/53/06/387765306.db2.gz NVJLZBOFDNREHT-KWQFWETISA-N 2 1 238.306 1.758 20 0 BDADMP CC[C@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000422898545 387766843 /nfs/dbraw/zinc/76/68/43/387766843.db2.gz FIJQALZGYBTYNZ-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422909696 387768393 /nfs/dbraw/zinc/76/83/93/387768393.db2.gz OSZGGGJHECWEGY-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422910918 387769205 /nfs/dbraw/zinc/76/92/05/387769205.db2.gz RVYFGBZRHFSMMT-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422910918 387769206 /nfs/dbraw/zinc/76/92/06/387769206.db2.gz RVYFGBZRHFSMMT-MCIONIFRSA-N 2 1 239.407 1.578 20 0 BDADMP FCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000378168221 387770397 /nfs/dbraw/zinc/77/03/97/387770397.db2.gz JWEBLTMYTTVWSF-FRRDWIJNSA-N 2 1 226.339 1.762 20 0 BDADMP FCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000378168221 387770400 /nfs/dbraw/zinc/77/04/00/387770400.db2.gz JWEBLTMYTTVWSF-FRRDWIJNSA-N 2 1 226.339 1.762 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000643528819 387772008 /nfs/dbraw/zinc/77/20/08/387772008.db2.gz PLFHSWZBSUMVPL-NRUUGDAUSA-N 2 1 204.317 1.857 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000643529121 387774067 /nfs/dbraw/zinc/77/40/67/387774067.db2.gz VOSKHCDVILHTRF-NEPJUHHUSA-N 2 1 244.342 1.870 20 0 BDADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528087 387775380 /nfs/dbraw/zinc/77/53/80/387775380.db2.gz ZIRVSEVRUUCANS-GVXVVHGQSA-N 2 1 222.332 1.699 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000422926015 387780328 /nfs/dbraw/zinc/78/03/28/387780328.db2.gz CGAGCRKHWGCUJY-ATZCPNFKSA-N 2 1 222.336 1.503 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000422926015 387780331 /nfs/dbraw/zinc/78/03/31/387780331.db2.gz CGAGCRKHWGCUJY-ATZCPNFKSA-N 2 1 222.336 1.503 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000422926218 387780455 /nfs/dbraw/zinc/78/04/55/387780455.db2.gz CGAGCRKHWGCUJY-QXEWZRGKSA-N 2 1 222.336 1.503 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000422926218 387780457 /nfs/dbraw/zinc/78/04/57/387780457.db2.gz CGAGCRKHWGCUJY-QXEWZRGKSA-N 2 1 222.336 1.503 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000422902695 387787353 /nfs/dbraw/zinc/78/73/53/387787353.db2.gz VANOIOMUWMSSIM-RFGFWPKPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422903631 387787746 /nfs/dbraw/zinc/78/77/46/387787746.db2.gz OQHBDOKJWHFESR-NDBYEHHHSA-N 2 1 226.364 1.532 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422978595 387789363 /nfs/dbraw/zinc/78/93/63/387789363.db2.gz ZSQZQKNYOKHCSR-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432419010 387789639 /nfs/dbraw/zinc/78/96/39/387789639.db2.gz YGTPFZMCWGALMH-CJQNXBEJSA-N 2 1 240.391 1.466 20 0 BDADMP CCCC(O)(CCC)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422981603 387794440 /nfs/dbraw/zinc/79/44/40/387794440.db2.gz TWNNBGDXKDSCSR-STQMWFEESA-N 2 1 242.407 1.905 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000527931575 387794946 /nfs/dbraw/zinc/79/49/46/387794946.db2.gz SZBITTKMMQBHFW-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422990134 387797816 /nfs/dbraw/zinc/79/78/16/387797816.db2.gz MTWZFXLAAXTMJA-SMDDNHRTSA-N 2 1 234.343 1.522 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccccc21 ZINC000422990108 387799336 /nfs/dbraw/zinc/79/93/36/387799336.db2.gz BNIQKVSVXQVWRQ-RBDSIQFVSA-N 2 1 244.338 1.658 20 0 BDADMP COCCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422990684 387799969 /nfs/dbraw/zinc/79/99/69/387799969.db2.gz OIZMFMNTSYSLMY-LLVKDONJSA-N 2 1 249.358 1.961 20 0 BDADMP C[C@H]([NH2+]CC1(CCO)CCC1)c1c[nH+]ccc1N ZINC000422994341 387801873 /nfs/dbraw/zinc/80/18/73/387801873.db2.gz VBXGWRQZUYUODS-NSHDSACASA-N 2 1 249.358 1.697 20 0 BDADMP COc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000423001880 387807734 /nfs/dbraw/zinc/80/77/34/387807734.db2.gz ITJXQEKOMDPROM-KGLIPLIRSA-N 2 1 234.343 1.973 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000643526594 387757908 /nfs/dbraw/zinc/75/79/08/387757908.db2.gz BYEHJVVADQCHFQ-GXFFZTMASA-N 2 1 219.332 1.870 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422882529 387758066 /nfs/dbraw/zinc/75/80/66/387758066.db2.gz SMNSRPVSWGNUNQ-STQMWFEESA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882301 387758263 /nfs/dbraw/zinc/75/82/63/387758263.db2.gz ZWPKZVNPPSAFJH-RKOXZLIFSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882301 387758267 /nfs/dbraw/zinc/75/82/67/387758267.db2.gz ZWPKZVNPPSAFJH-RKOXZLIFSA-N 2 1 249.402 1.342 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422881970 387758530 /nfs/dbraw/zinc/75/85/30/387758530.db2.gz RLKKSGAYLGCPLS-CHWSQXEVSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000643526596 387758813 /nfs/dbraw/zinc/75/88/13/387758813.db2.gz BYEHJVVADQCHFQ-ZWNOBZJWSA-N 2 1 219.332 1.870 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000442666878 387820076 /nfs/dbraw/zinc/82/00/76/387820076.db2.gz XDXAKVBDOTVARV-DOMZBBRYSA-N 2 1 248.370 1.706 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000442666878 387820079 /nfs/dbraw/zinc/82/00/79/387820079.db2.gz XDXAKVBDOTVARV-DOMZBBRYSA-N 2 1 248.370 1.706 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)CC1 ZINC000432795364 387822611 /nfs/dbraw/zinc/82/26/11/387822611.db2.gz WLPRXZIGDZLZMW-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422975491 387824323 /nfs/dbraw/zinc/82/43/23/387824323.db2.gz GYKWMPOUQVJFKG-ZWNOBZJWSA-N 2 1 237.347 1.696 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423007776 387829599 /nfs/dbraw/zinc/82/95/99/387829599.db2.gz ROWHNLCQORYQJO-SNPRPXQTSA-N 2 1 248.370 1.493 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423007521 387829979 /nfs/dbraw/zinc/82/99/79/387829979.db2.gz QUBBOKFUKCPODU-UPJWGTAASA-N 2 1 228.380 1.373 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2COC2)[C@H]2CCC[C@@H]21 ZINC000528026005 387830308 /nfs/dbraw/zinc/83/03/08/387830308.db2.gz IBQJPOQIZXNWPX-AGIUHOORSA-N 2 1 224.348 1.095 20 0 BDADMP Cc1cnccc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423014833 387838361 /nfs/dbraw/zinc/83/83/61/387838361.db2.gz PSIXYDUCHIMUAX-RISCZKNCSA-N 2 1 233.359 1.520 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423073906 387873611 /nfs/dbraw/zinc/87/36/11/387873611.db2.gz SONWTBNHXVBDJS-YFKTTZPYSA-N 2 1 212.337 1.142 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423019517 387840639 /nfs/dbraw/zinc/84/06/39/387840639.db2.gz WBDWZJIHOWWTOI-FDYHWXHSSA-N 2 1 226.364 1.389 20 0 BDADMP Cc1cnccc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423016831 387840869 /nfs/dbraw/zinc/84/08/69/387840869.db2.gz URAXSKQYQCLDKO-GXTWGEPZSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423026491 387843842 /nfs/dbraw/zinc/84/38/42/387843842.db2.gz BJDLEOVGCXKUHN-WRWGMCAJSA-N 2 1 214.353 1.266 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CO)CCC2)c2ccccc21 ZINC000423029054 387846973 /nfs/dbraw/zinc/84/69/73/387846973.db2.gz HMVUXENDJOFYAS-ZIAGYGMSSA-N 2 1 246.354 1.883 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)CC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423032803 387848205 /nfs/dbraw/zinc/84/82/05/387848205.db2.gz YRRRVMHYUVBCIV-KWCYVHTRSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032736 387849814 /nfs/dbraw/zinc/84/98/14/387849814.db2.gz NBGCKNMQVKTMKI-UMSGYPCISA-N 2 1 225.380 1.199 20 0 BDADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423038022 387850988 /nfs/dbraw/zinc/85/09/88/387850988.db2.gz XOARGAKBTHSDTN-REWJHTLYSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000423040522 387852892 /nfs/dbraw/zinc/85/28/92/387852892.db2.gz UKRFGFNMIOFQCC-RDBSUJKOSA-N 2 1 240.391 1.923 20 0 BDADMP CC1=CC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423042026 387856257 /nfs/dbraw/zinc/85/62/57/387856257.db2.gz YGTVDUFVNWYYHI-YIONKMFJSA-N 2 1 249.402 1.511 20 0 BDADMP CC1=CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423042026 387856262 /nfs/dbraw/zinc/85/62/62/387856262.db2.gz YGTVDUFVNWYYHI-YIONKMFJSA-N 2 1 249.402 1.511 20 0 BDADMP Cc1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193611470 387857755 /nfs/dbraw/zinc/85/77/55/387857755.db2.gz DBZNNPFMHMCITQ-GASCZTMLSA-N 2 1 230.355 1.988 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193611470 387857757 /nfs/dbraw/zinc/85/77/57/387857757.db2.gz DBZNNPFMHMCITQ-GASCZTMLSA-N 2 1 230.355 1.988 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051711 387860577 /nfs/dbraw/zinc/86/05/77/387860577.db2.gz OBQBSFCNFGVDMC-VXGBXAGGSA-N 2 1 226.364 1.127 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CCO)c1ccco1 ZINC000423055151 387863146 /nfs/dbraw/zinc/86/31/46/387863146.db2.gz VSJDNUVYKQNULO-DCAQKATOSA-N 2 1 226.320 1.419 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ncccc1F ZINC000423002904 387863342 /nfs/dbraw/zinc/86/33/42/387863342.db2.gz ZUJLYBXLKMPPKE-MNOVXSKESA-N 2 1 239.294 1.069 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ncccc1F ZINC000423002905 387863382 /nfs/dbraw/zinc/86/33/82/387863382.db2.gz ZUJLYBXLKMPPKE-QWRGUYRKSA-N 2 1 239.294 1.069 20 0 BDADMP C[C@H]([NH2+]CCOCC(F)F)c1c[nH+]ccc1N ZINC000423069035 387872294 /nfs/dbraw/zinc/87/22/94/387872294.db2.gz LHWKAXKZZKGYIX-QMMMGPOBSA-N 2 1 245.273 1.426 20 0 BDADMP CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000422963412 387813793 /nfs/dbraw/zinc/81/37/93/387813793.db2.gz IMUQONFCXVOKCM-QWHCGFSZSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976670 387815972 /nfs/dbraw/zinc/81/59/72/387815972.db2.gz FYFDKQXKPLZQQQ-GMKTYKIGSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]([NH3+])CN1CC[NH+](Cc2cccs2)CC1 ZINC000442662797 387816305 /nfs/dbraw/zinc/81/63/05/387816305.db2.gz QWFOLCJWMMWHGI-LLVKDONJSA-N 2 1 239.388 1.213 20 0 BDADMP COc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])ccn1 ZINC000422968362 387817126 /nfs/dbraw/zinc/81/71/26/387817126.db2.gz WNCMUUFBWPQDOE-OLZOCXBDSA-N 2 1 249.358 1.840 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2C1 ZINC000194540798 387889523 /nfs/dbraw/zinc/88/95/23/387889523.db2.gz CEGKMAZWXBJMSL-TXEJJXNPSA-N 2 1 222.357 1.742 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2C1 ZINC000194540798 387889538 /nfs/dbraw/zinc/88/95/38/387889538.db2.gz CEGKMAZWXBJMSL-TXEJJXNPSA-N 2 1 222.357 1.742 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000194540798 387889542 /nfs/dbraw/zinc/88/95/42/387889542.db2.gz CEGKMAZWXBJMSL-TXEJJXNPSA-N 2 1 222.357 1.742 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000194540798 387889544 /nfs/dbraw/zinc/88/95/44/387889544.db2.gz CEGKMAZWXBJMSL-TXEJJXNPSA-N 2 1 222.357 1.742 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)O)CC[N@H+]1C ZINC000158086880 387891274 /nfs/dbraw/zinc/89/12/74/387891274.db2.gz IFUVAVRBBOCCNA-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000423081952 387878786 /nfs/dbraw/zinc/87/87/86/387878786.db2.gz CFRRLNAFBNSFNA-KXNHARMFSA-N 2 1 240.347 1.058 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423140277 387918364 /nfs/dbraw/zinc/91/83/64/387918364.db2.gz MFLANNUNQYODGV-DBIOUOCHSA-N 2 1 200.326 1.140 20 0 BDADMP CC[C@H](C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000423141629 387919182 /nfs/dbraw/zinc/91/91/82/387919182.db2.gz QZPVLNAPSKRJNP-UTUOFQBUSA-N 2 1 214.353 1.532 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423120415 387900122 /nfs/dbraw/zinc/90/01/22/387900122.db2.gz GLBKPGAOWRIHRY-YNEHKIRRSA-N 2 1 227.396 1.445 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000423120426 387900225 /nfs/dbraw/zinc/90/02/25/387900225.db2.gz GMNDUJTZGBMNLX-YRGRVCCFSA-N 2 1 246.354 1.750 20 0 BDADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423125478 387906018 /nfs/dbraw/zinc/90/60/18/387906018.db2.gz QQCSRWJZINVWKG-OLZOCXBDSA-N 3 1 229.412 1.824 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423125478 387906022 /nfs/dbraw/zinc/90/60/22/387906022.db2.gz QQCSRWJZINVWKG-OLZOCXBDSA-N 3 1 229.412 1.824 20 0 BDADMP CC[N@H+]1CCC[C@@H](CNCc2cncn2C)C1 ZINC000236863645 387908187 /nfs/dbraw/zinc/90/81/87/387908187.db2.gz NGGXGFSDFQCAJL-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000236863645 387908194 /nfs/dbraw/zinc/90/81/94/387908194.db2.gz NGGXGFSDFQCAJL-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000236863645 387908198 /nfs/dbraw/zinc/90/81/98/387908198.db2.gz NGGXGFSDFQCAJL-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP COCC1(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423128779 387908341 /nfs/dbraw/zinc/90/83/41/387908341.db2.gz DLGOFNJZTNXIJA-CHWSQXEVSA-N 2 1 240.391 1.781 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423129422 387908408 /nfs/dbraw/zinc/90/84/08/387908408.db2.gz XAHBDMJPFGQXQI-HZSPNIEDSA-N 2 1 241.423 1.837 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133165 387908726 /nfs/dbraw/zinc/90/87/26/387908726.db2.gz CHAZPGBTAQKELW-MJBXVCDLSA-N 2 1 241.423 1.837 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423135205 387912441 /nfs/dbraw/zinc/91/24/41/387912441.db2.gz FNNZXLABHVHHKD-HZSPNIEDSA-N 2 1 241.423 1.694 20 0 BDADMP CO[C@@H]([C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000423152604 387932697 /nfs/dbraw/zinc/93/26/97/387932697.db2.gz FVYYRWODYILGLA-YGNMPJRFSA-N 2 1 226.364 1.530 20 0 BDADMP CCC[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000423146065 387921747 /nfs/dbraw/zinc/92/17/47/387921747.db2.gz NSHFXOUPHCSCBS-FRRDWIJNSA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C(F)F ZINC000423145195 387923798 /nfs/dbraw/zinc/92/37/98/387923798.db2.gz JNBMVEDBHRBQCB-RKDXNWHRSA-N 2 1 224.295 1.374 20 0 BDADMP CCC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000423150477 387928432 /nfs/dbraw/zinc/92/84/32/387928432.db2.gz ZDNOJDAWJRIZTN-AGIUHOORSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423167113 387952692 /nfs/dbraw/zinc/95/26/92/387952692.db2.gz WMKSVEHKIYIEAZ-MCIONIFRSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000423167470 387952855 /nfs/dbraw/zinc/95/28/55/387952855.db2.gz WSKKRJKITNHRSL-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cn1 ZINC000423170802 387956044 /nfs/dbraw/zinc/95/60/44/387956044.db2.gz YXJAEAZYHVMVFZ-WCQYABFASA-N 2 1 234.347 1.058 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000044533441 387937947 /nfs/dbraw/zinc/93/79/47/387937947.db2.gz SYVKJBXYMPBTCB-NSHDSACASA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H]1CCNC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423160455 387941035 /nfs/dbraw/zinc/94/10/35/387941035.db2.gz HITONEYTTRXRIY-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423160455 387941038 /nfs/dbraw/zinc/94/10/38/387941038.db2.gz HITONEYTTRXRIY-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423160455 387941041 /nfs/dbraw/zinc/94/10/41/387941041.db2.gz HITONEYTTRXRIY-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP Cc1cc(C[NH3+])cc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000424236689 387941106 /nfs/dbraw/zinc/94/11/06/387941106.db2.gz JOUDERAPBMMLJF-UHFFFAOYSA-N 2 1 249.358 1.732 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@H](C)O1 ZINC000392234620 387942918 /nfs/dbraw/zinc/94/29/18/387942918.db2.gz DDEUKDUHCDJRCV-MDZLAQPJSA-N 2 1 224.348 1.404 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)NCC[N@H+]1CCCC1(C)C ZINC000423162654 387943129 /nfs/dbraw/zinc/94/31/29/387943129.db2.gz LKITXLDMQYUPOZ-RYUDHWBXSA-N 2 1 227.396 1.576 20 0 BDADMP COc1cccnc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423161819 387943386 /nfs/dbraw/zinc/94/33/86/387943386.db2.gz JTCFYPBYVTVVCA-MNOVXSKESA-N 2 1 235.331 1.307 20 0 BDADMP CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)COC1 ZINC000423161652 387943853 /nfs/dbraw/zinc/94/38/53/387943853.db2.gz NYKBXEYBBBKEKD-GHMZBOCLSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162809 387945368 /nfs/dbraw/zinc/94/53/68/387945368.db2.gz QGBOLVFYZHZWJJ-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162809 387945373 /nfs/dbraw/zinc/94/53/73/387945373.db2.gz QGBOLVFYZHZWJJ-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645802429 387945479 /nfs/dbraw/zinc/94/54/79/387945479.db2.gz MVTPCVHTVDMUBU-UONOGXRCSA-N 2 1 240.391 1.687 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423165651 387948326 /nfs/dbraw/zinc/94/83/26/387948326.db2.gz UNUPEXNIEVNONZ-QWRGUYRKSA-N 2 1 228.380 1.371 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C12CCC2 ZINC000423166751 387949370 /nfs/dbraw/zinc/94/93/70/387949370.db2.gz DBJGALVKZDDSDV-MROQNXINSA-N 2 1 238.375 1.532 20 0 BDADMP COCC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423172102 387959110 /nfs/dbraw/zinc/95/91/10/387959110.db2.gz RIGMFXJYVXAFLC-SRVKXCTJSA-N 2 1 214.353 1.247 20 0 BDADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](CC)C[C@H]1C ZINC000158772981 387961236 /nfs/dbraw/zinc/96/12/36/387961236.db2.gz OJCBEEGCSPXYIX-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000158772981 387961238 /nfs/dbraw/zinc/96/12/38/387961238.db2.gz OJCBEEGCSPXYIX-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000158772981 387961241 /nfs/dbraw/zinc/96/12/41/387961241.db2.gz OJCBEEGCSPXYIX-OLZOCXBDSA-N 2 1 227.396 1.258 20 0 BDADMP CC1(C)[C@H]([NH2+]CC[NH3+])C[C@@H]1Oc1ccccc1 ZINC000423178396 387963640 /nfs/dbraw/zinc/96/36/40/387963640.db2.gz FTZLMHWAKAZCBH-OLZOCXBDSA-N 2 1 234.343 1.781 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423178653 387963837 /nfs/dbraw/zinc/96/38/37/387963837.db2.gz CIPPMMLKEVAPBU-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 ZINC000423177069 387964813 /nfs/dbraw/zinc/96/48/13/387964813.db2.gz DQPRBBSKIOOOBV-QWHCGFSZSA-N 2 1 233.359 1.965 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NCC2([NH3+])CCCCC2)C1 ZINC000423179880 387966886 /nfs/dbraw/zinc/96/68/86/387966886.db2.gz MRUGVSCJBKOMFX-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000423179880 387966887 /nfs/dbraw/zinc/96/68/87/387966887.db2.gz MRUGVSCJBKOMFX-QWHCGFSZSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481074 387970234 /nfs/dbraw/zinc/97/02/34/387970234.db2.gz MFCZPCIRNAYPCS-GHMZBOCLSA-N 2 1 246.358 1.789 20 0 BDADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[NH3+])c1C ZINC000423184132 387970539 /nfs/dbraw/zinc/97/05/39/387970539.db2.gz MYADSKWGTKHOCC-NSHDSACASA-N 2 1 249.358 1.569 20 0 BDADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000423187478 387971456 /nfs/dbraw/zinc/97/14/56/387971456.db2.gz PQFCXQRGTYJHHU-WDEREUQCSA-N 2 1 222.332 1.736 20 0 BDADMP [NH3+]C1(c2nc(C3([NH3+])CCCCC3)no2)CC1 ZINC000424334944 387978814 /nfs/dbraw/zinc/97/88/14/387978814.db2.gz GSJCQPWAANCNRZ-UHFFFAOYSA-N 2 1 222.292 1.136 20 0 BDADMP C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423194991 387979197 /nfs/dbraw/zinc/97/91/97/387979197.db2.gz XCCTXTAKJXLJNV-DBIOUOCHSA-N 2 1 214.378 1.611 20 0 BDADMP [NH3+]CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000423195775 387979884 /nfs/dbraw/zinc/97/98/84/387979884.db2.gz ZYXZMOPTCONJSA-OLZOCXBDSA-N 2 1 204.317 1.871 20 0 BDADMP C[N@H+]1CC[C@H](NC2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423191490 387975307 /nfs/dbraw/zinc/97/53/07/387975307.db2.gz UFVYZTFIAOBQKD-RDBSUJKOSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423191490 387975309 /nfs/dbraw/zinc/97/53/09/387975309.db2.gz UFVYZTFIAOBQKD-RDBSUJKOSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423191490 387975311 /nfs/dbraw/zinc/97/53/11/387975311.db2.gz UFVYZTFIAOBQKD-RDBSUJKOSA-N 3 1 237.391 1.201 20 0 BDADMP CC(C)O[C@@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C ZINC000423190984 387975476 /nfs/dbraw/zinc/97/54/76/387975476.db2.gz TXHNALKLABGQQA-VHSXEESVSA-N 2 1 200.326 1.127 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH3+])C1(CC)CC ZINC000423192996 387977312 /nfs/dbraw/zinc/97/73/12/387977312.db2.gz WDPNAEQAMKVGRP-GHMZBOCLSA-N 2 1 214.353 1.519 20 0 BDADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213256 387995395 /nfs/dbraw/zinc/99/53/95/387995395.db2.gz NEDRTFWPBCOYMZ-ZWNOBZJWSA-N 2 1 248.374 1.744 20 0 BDADMP CC[C@@H]([NH2+]CCC[NH2+]C)c1c(C)noc1C ZINC000420397821 387996934 /nfs/dbraw/zinc/99/69/34/387996934.db2.gz GIZOIKROHWQMJH-LLVKDONJSA-N 2 1 225.336 1.942 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246061470 388005604 /nfs/dbraw/zinc/00/56/04/388005604.db2.gz ZEQLVQKLKQDWLQ-ZDEQEGDKSA-N 2 1 238.375 1.362 20 0 BDADMP COc1cc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c(F)cn1 ZINC000423225582 388007979 /nfs/dbraw/zinc/00/79/79/388007979.db2.gz NJGGNUQRVCANKT-DTWKUNHWSA-N 2 1 241.310 1.617 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423241027 388024555 /nfs/dbraw/zinc/02/45/55/388024555.db2.gz HRJHTUFZFNALAU-NWDGAFQWSA-N 2 1 228.380 1.778 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423230243 388015195 /nfs/dbraw/zinc/01/51/95/388015195.db2.gz DBHBNYVGYAHZPP-ZDUSSCGKSA-N 2 1 235.375 1.992 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423231194 388017481 /nfs/dbraw/zinc/01/74/81/388017481.db2.gz GCBXQTPZLFXCPW-MGPQQGTHSA-N 2 1 240.391 1.781 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423237744 388021047 /nfs/dbraw/zinc/02/10/47/388021047.db2.gz DSFIGLXXLQUHEE-RWMBFGLXSA-N 2 1 226.364 1.391 20 0 BDADMP Cc1cc[nH+]c(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000082647369 388038963 /nfs/dbraw/zinc/03/89/63/388038963.db2.gz IKRMBQCIRNLIFC-VXGBXAGGSA-N 2 1 219.332 1.954 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1COCC ZINC000423249844 388031328 /nfs/dbraw/zinc/03/13/28/388031328.db2.gz SOKKUEOFNYBSAY-NEPJUHHUSA-N 2 1 214.353 1.391 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000423272085 388051680 /nfs/dbraw/zinc/05/16/80/388051680.db2.gz JSXPZKYYCVMFHZ-NWDGAFQWSA-N 2 1 238.379 1.970 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000423273480 388053419 /nfs/dbraw/zinc/05/34/19/388053419.db2.gz IZVRGLBCYMOITR-UPJWGTAASA-N 2 1 208.349 1.892 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000423275219 388056317 /nfs/dbraw/zinc/05/63/17/388056317.db2.gz MXMAMTUOJHTFFA-MJBXVCDLSA-N 2 1 239.407 1.496 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1(C)C ZINC000423278707 388060452 /nfs/dbraw/zinc/06/04/52/388060452.db2.gz QIXJIPCWICLLLZ-GRYCIOLGSA-N 2 1 226.364 1.517 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCSCC1 ZINC000423283371 388066173 /nfs/dbraw/zinc/06/61/73/388066173.db2.gz VWCRKVMWEZEWIH-CABZTGNLSA-N 2 1 228.405 1.845 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1c[nH+]ccc1N ZINC000423283970 388067609 /nfs/dbraw/zinc/06/76/09/388067609.db2.gz XVBQHBPIWLMFBR-VXGBXAGGSA-N 3 1 248.374 1.534 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423287489 388070429 /nfs/dbraw/zinc/07/04/29/388070429.db2.gz MPSZHEIWGAYNHG-DGCLKSJQSA-N 2 1 239.407 1.576 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423287489 388070433 /nfs/dbraw/zinc/07/04/33/388070433.db2.gz MPSZHEIWGAYNHG-DGCLKSJQSA-N 2 1 239.407 1.576 20 0 BDADMP Cc1cncc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000423287864 388073200 /nfs/dbraw/zinc/07/32/00/388073200.db2.gz OZAYHMNFHXJQQG-SNVBAGLBSA-N 2 1 207.321 1.778 20 0 BDADMP C[N@H+]1CC[C@H](NCC(C)(C)[NH3+])[C@H]2CCC[C@@H]21 ZINC000423288327 388073504 /nfs/dbraw/zinc/07/35/04/388073504.db2.gz RSACQJYUWHLNON-WOPDTQHZSA-N 2 1 225.380 1.186 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423289947 388074349 /nfs/dbraw/zinc/07/43/49/388074349.db2.gz YOVSDXGOZKBTIF-NWDGAFQWSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000447584669 388080519 /nfs/dbraw/zinc/08/05/19/388080519.db2.gz GPPPMNJJMCTWBZ-JWURUJNWSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@@H]1C[NH+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000447584669 388080523 /nfs/dbraw/zinc/08/05/23/388080523.db2.gz GPPPMNJJMCTWBZ-JWURUJNWSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000447584669 388080527 /nfs/dbraw/zinc/08/05/27/388080527.db2.gz GPPPMNJJMCTWBZ-JWURUJNWSA-N 2 1 237.391 1.151 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000447584669 388080529 /nfs/dbraw/zinc/08/05/29/388080529.db2.gz GPPPMNJJMCTWBZ-JWURUJNWSA-N 2 1 237.391 1.151 20 0 BDADMP CC(C)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789729 388096041 /nfs/dbraw/zinc/09/60/41/388096041.db2.gz BCOWBZSNNIOVQM-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789729 388096044 /nfs/dbraw/zinc/09/60/44/388096044.db2.gz BCOWBZSNNIOVQM-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP C([NH2+][C@@H]1CCCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000086873346 388109611 /nfs/dbraw/zinc/10/96/11/388109611.db2.gz DUPIZUHAGIVNAG-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cncs1 ZINC000423267918 388048384 /nfs/dbraw/zinc/04/83/84/388048384.db2.gz FNZQUOUZDQDAIX-BDAKNGLRSA-N 2 1 213.350 1.649 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423269606 388050153 /nfs/dbraw/zinc/05/01/53/388050153.db2.gz VXIJHSVNEMPMBT-JHJVBQTASA-N 2 1 227.396 1.432 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC000449243829 388161482 /nfs/dbraw/zinc/16/14/82/388161482.db2.gz NRGUQWHBGLUECT-OLZOCXBDSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCC1 ZINC000449243829 388161484 /nfs/dbraw/zinc/16/14/84/388161484.db2.gz NRGUQWHBGLUECT-OLZOCXBDSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000488742031 388192668 /nfs/dbraw/zinc/19/26/68/388192668.db2.gz DIDIAPWMNBDSDF-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)COC1 ZINC000449600903 388240257 /nfs/dbraw/zinc/24/02/57/388240257.db2.gz PRDCMGMUOYWGQK-UHFFFAOYSA-N 2 1 249.358 1.664 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)O)CC1 ZINC000164564927 388240285 /nfs/dbraw/zinc/24/02/85/388240285.db2.gz YPXLGLUBVXMZIN-WDEREUQCSA-N 2 1 214.353 1.220 20 0 BDADMP COCc1cccc(C[NH2+][C@H](C)CN)c1 ZINC000234714074 388358594 /nfs/dbraw/zinc/35/85/94/388358594.db2.gz YPGKPZLSQKHRKP-SNVBAGLBSA-N 2 1 208.305 1.270 20 0 BDADMP COCc1cccc(C[NH2+][C@H](C)C[NH3+])c1 ZINC000234714074 388358595 /nfs/dbraw/zinc/35/85/95/388358595.db2.gz YPGKPZLSQKHRKP-SNVBAGLBSA-N 2 1 208.305 1.270 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000234879534 388362172 /nfs/dbraw/zinc/36/21/72/388362172.db2.gz WMSUZVHOTOKHIO-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000163541581 388364689 /nfs/dbraw/zinc/36/46/89/388364689.db2.gz XBBCLTDJDKWVKL-VXGBXAGGSA-N 2 1 214.353 1.330 20 0 BDADMP CSC1(C[NH2+]CCn2cc[nH+]c2C)CC1 ZINC000235233164 388366194 /nfs/dbraw/zinc/36/61/94/388366194.db2.gz IHEYKCMZMNLDNQ-UHFFFAOYSA-N 2 1 225.361 1.677 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316055812 388405498 /nfs/dbraw/zinc/40/54/98/388405498.db2.gz XUQXSFVZNQZEDY-MHDGFBEUSA-N 2 1 240.391 1.466 20 0 BDADMP C[C@]1(C[N@@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]C1 ZINC000572879544 388383293 /nfs/dbraw/zinc/38/32/93/388383293.db2.gz LWWNYDGQBPSNAC-ONGXEEELSA-N 2 1 234.290 1.300 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]C1 ZINC000572879544 388383294 /nfs/dbraw/zinc/38/32/94/388383294.db2.gz LWWNYDGQBPSNAC-ONGXEEELSA-N 2 1 234.290 1.300 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000516605643 388385887 /nfs/dbraw/zinc/38/58/87/388385887.db2.gz OCQQGRMSXLJXLU-MCIONIFRSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000516605643 388385891 /nfs/dbraw/zinc/38/58/91/388385891.db2.gz OCQQGRMSXLJXLU-MCIONIFRSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000516605643 388385893 /nfs/dbraw/zinc/38/58/93/388385893.db2.gz OCQQGRMSXLJXLU-MCIONIFRSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@@H]1C[C@@H](N(C)CC2(F)CC2)CC[N@H+]1C ZINC000525978355 388441907 /nfs/dbraw/zinc/44/19/07/388441907.db2.gz PRLQZNWFEQGXPQ-MNOVXSKESA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC2(F)CC2)CCN1C ZINC000525978355 388441909 /nfs/dbraw/zinc/44/19/09/388441909.db2.gz PRLQZNWFEQGXPQ-MNOVXSKESA-N 2 1 214.328 1.903 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2(F)CC2)CCN1C ZINC000525978355 388441911 /nfs/dbraw/zinc/44/19/11/388441911.db2.gz PRLQZNWFEQGXPQ-MNOVXSKESA-N 2 1 214.328 1.903 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCOC1 ZINC000308616595 388445443 /nfs/dbraw/zinc/44/54/43/388445443.db2.gz YHXNRYDQOOZALV-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H](O)CCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308637578 388445634 /nfs/dbraw/zinc/44/56/34/388445634.db2.gz UZHHOLSOYWOHTQ-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)COCC1 ZINC000336596079 388458691 /nfs/dbraw/zinc/45/86/91/388458691.db2.gz AENXCVRYCUGLAC-KBPBESRZSA-N 2 1 236.359 1.550 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)COCC1 ZINC000336596079 388458694 /nfs/dbraw/zinc/45/86/94/388458694.db2.gz AENXCVRYCUGLAC-KBPBESRZSA-N 2 1 236.359 1.550 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000397352823 388462984 /nfs/dbraw/zinc/46/29/84/388462984.db2.gz DCRHRIXNHKQUBQ-JHJVBQTASA-N 2 1 236.363 1.188 20 0 BDADMP CN(C[C@H](O)C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000336713245 388466264 /nfs/dbraw/zinc/46/62/64/388466264.db2.gz OJJRJQAVIJKLJA-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000336713245 388466265 /nfs/dbraw/zinc/46/62/65/388466265.db2.gz OJJRJQAVIJKLJA-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000336713245 388466266 /nfs/dbraw/zinc/46/62/66/388466266.db2.gz OJJRJQAVIJKLJA-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CCCCC1)C1CC1 ZINC000336713245 388466268 /nfs/dbraw/zinc/46/62/68/388466268.db2.gz OJJRJQAVIJKLJA-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000336713245 388466269 /nfs/dbraw/zinc/46/62/69/388466269.db2.gz OJJRJQAVIJKLJA-CQSZACIVSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000336722187 388469363 /nfs/dbraw/zinc/46/93/63/388469363.db2.gz STUSRHCUKPBNMU-HZSPNIEDSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000336722187 388469365 /nfs/dbraw/zinc/46/93/65/388469365.db2.gz STUSRHCUKPBNMU-HZSPNIEDSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000336730398 388471218 /nfs/dbraw/zinc/47/12/18/388471218.db2.gz DPJJVWMVKODLCA-VXGBXAGGSA-N 2 1 230.396 1.713 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261538043 135175809 /nfs/dbraw/zinc/17/58/09/135175809.db2.gz XGSBIOFQTSSAKU-GHMZBOCLSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393578947 388434064 /nfs/dbraw/zinc/43/40/64/388434064.db2.gz DJADZCGQBBLDGM-NWDGAFQWSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCC2)CC[N@@H+]1C ZINC000353510912 388542488 /nfs/dbraw/zinc/54/24/88/388542488.db2.gz OKVKEMPVEURROO-MRVWCRGKSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCC2)CC[N@H+]1C ZINC000353510912 388542490 /nfs/dbraw/zinc/54/24/90/388542490.db2.gz OKVKEMPVEURROO-MRVWCRGKSA-N 2 1 240.391 1.610 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000356337517 388548004 /nfs/dbraw/zinc/54/80/04/388548004.db2.gz QBDDSUPYKHZUFE-FRRDWIJNSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340467022 388490958 /nfs/dbraw/zinc/49/09/58/388490958.db2.gz NWNVTRXLRWMESY-QJPTWQEYSA-N 2 1 214.328 1.951 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000340489111 388491034 /nfs/dbraw/zinc/49/10/34/388491034.db2.gz QSWZKFMVCFSLNF-ZMJPVWNMSA-N 2 1 240.391 1.730 20 0 BDADMP C[NH+](C)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000397903891 388510644 /nfs/dbraw/zinc/51/06/44/388510644.db2.gz WEKMFCLXONTNLH-OLZOCXBDSA-N 2 1 237.391 1.297 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000397903891 388510647 /nfs/dbraw/zinc/51/06/47/388510647.db2.gz WEKMFCLXONTNLH-OLZOCXBDSA-N 2 1 237.391 1.297 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000397903891 388510650 /nfs/dbraw/zinc/51/06/50/388510650.db2.gz WEKMFCLXONTNLH-OLZOCXBDSA-N 2 1 237.391 1.297 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000398053815 388516584 /nfs/dbraw/zinc/51/65/84/388516584.db2.gz GVRLKKKROOPZKO-CMPLNLGQSA-N 2 1 223.320 1.590 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000398053823 388516659 /nfs/dbraw/zinc/51/66/59/388516659.db2.gz GVRLKKKROOPZKO-PWSUYJOCSA-N 2 1 223.320 1.590 20 0 BDADMP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000352558861 388536570 /nfs/dbraw/zinc/53/65/70/388536570.db2.gz ZWVAIWNRMSQHGB-MCIONIFRSA-N 2 1 240.391 1.754 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000379217962 388599656 /nfs/dbraw/zinc/59/96/56/388599656.db2.gz OZFREJGGQSBXTC-DZGCQCFKSA-N 2 1 248.370 1.915 20 0 BDADMP Cc1nocc1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000550114361 388599745 /nfs/dbraw/zinc/59/97/45/388599745.db2.gz CQCSIPOPILXJHW-LBPRGKRZSA-N 2 1 237.347 1.803 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000186793363 388603457 /nfs/dbraw/zinc/60/34/57/388603457.db2.gz QKULVUDYRQDTFB-UMSGYPCISA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000186793363 388603460 /nfs/dbraw/zinc/60/34/60/388603460.db2.gz QKULVUDYRQDTFB-UMSGYPCISA-N 2 1 226.364 1.362 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)[C@H]1C[NH3+] ZINC000252138661 388604401 /nfs/dbraw/zinc/60/44/01/388604401.db2.gz LWOYAEVYXFKKFQ-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)[C@H]1C[NH3+] ZINC000252138661 388604403 /nfs/dbraw/zinc/60/44/03/388604403.db2.gz LWOYAEVYXFKKFQ-UPJWGTAASA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCOC1 ZINC000356829153 388551098 /nfs/dbraw/zinc/55/10/98/388551098.db2.gz CWWYFONOVLCLQN-ZOBORPQBSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCOC1 ZINC000356829153 388551099 /nfs/dbraw/zinc/55/10/99/388551099.db2.gz CWWYFONOVLCLQN-ZOBORPQBSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359636341 388556727 /nfs/dbraw/zinc/55/67/27/388556727.db2.gz PWUVZFLIQLMXJC-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359636340 388557109 /nfs/dbraw/zinc/55/71/09/388557109.db2.gz PWUVZFLIQLMXJC-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)COC)C1 ZINC000245452859 388581490 /nfs/dbraw/zinc/58/14/90/388581490.db2.gz QSLVCISOSCMGOI-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC000245452859 388581494 /nfs/dbraw/zinc/58/14/94/388581494.db2.gz QSLVCISOSCMGOI-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC000245452859 388581497 /nfs/dbraw/zinc/58/14/97/388581497.db2.gz QSLVCISOSCMGOI-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247975820 388671937 /nfs/dbraw/zinc/67/19/37/388671937.db2.gz KUMZSUXRKHXCQF-UONOGXRCSA-N 2 1 241.423 1.648 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000530220562 388632635 /nfs/dbraw/zinc/63/26/35/388632635.db2.gz AJJBCMQFDQDXGA-GUBZILKMSA-N 2 1 225.311 1.997 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000126033416 388686820 /nfs/dbraw/zinc/68/68/20/388686820.db2.gz PUQDMEOHNHTPFH-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000126033416 388686824 /nfs/dbraw/zinc/68/68/24/388686824.db2.gz PUQDMEOHNHTPFH-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP COC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125993139 388684989 /nfs/dbraw/zinc/68/49/89/388684989.db2.gz AJCQAEFGJDTUQY-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000246831566 388652996 /nfs/dbraw/zinc/65/29/96/388652996.db2.gz BREAZFHGKSCXPY-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000246978677 388655135 /nfs/dbraw/zinc/65/51/35/388655135.db2.gz JOZOLLDQHBAEDZ-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000246978677 388655136 /nfs/dbraw/zinc/65/51/36/388655136.db2.gz JOZOLLDQHBAEDZ-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000246978677 388655138 /nfs/dbraw/zinc/65/51/38/388655138.db2.gz JOZOLLDQHBAEDZ-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2C)[C@H](C)C1 ZINC000246978677 388655141 /nfs/dbraw/zinc/65/51/41/388655141.db2.gz JOZOLLDQHBAEDZ-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2C)[C@H](C)C1 ZINC000246978677 388655143 /nfs/dbraw/zinc/65/51/43/388655143.db2.gz JOZOLLDQHBAEDZ-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223767227 388658187 /nfs/dbraw/zinc/65/81/87/388658187.db2.gz QYHWDZUNDSEDRS-QJPTWQEYSA-N 2 1 214.353 1.484 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223767227 388658188 /nfs/dbraw/zinc/65/81/88/388658188.db2.gz QYHWDZUNDSEDRS-QJPTWQEYSA-N 2 1 214.353 1.484 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCOC)C1 ZINC000247097045 388658955 /nfs/dbraw/zinc/65/89/55/388658955.db2.gz PUFMRCOLNBXLQX-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccn1 ZINC000128135470 388738650 /nfs/dbraw/zinc/73/86/50/388738650.db2.gz FKDGXTVVPQPDFF-JSGCOSHPSA-N 2 1 233.359 1.554 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1C ZINC000251795816 388754687 /nfs/dbraw/zinc/75/46/87/388754687.db2.gz MBPUVDPJNCNBIO-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@H]1C ZINC000251795816 388754690 /nfs/dbraw/zinc/75/46/90/388754690.db2.gz MBPUVDPJNCNBIO-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@H]1C ZINC000251795816 388754692 /nfs/dbraw/zinc/75/46/92/388754692.db2.gz MBPUVDPJNCNBIO-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@@H](C)[NH+](C)CC(O)C[N@H+](C)[C@H](C)CC ZINC000248733484 388692249 /nfs/dbraw/zinc/69/22/49/388692249.db2.gz LYSTYURGFWEYID-VXGBXAGGSA-N 2 1 230.396 1.808 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000249121421 388709835 /nfs/dbraw/zinc/70/98/35/388709835.db2.gz WXRMCCXGSCPLEA-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000126978483 388709918 /nfs/dbraw/zinc/70/99/18/388709918.db2.gz JDWJONUNTXIXJN-ZDUSSCGKSA-N 2 1 245.370 1.964 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000126978483 388709920 /nfs/dbraw/zinc/70/99/20/388709920.db2.gz JDWJONUNTXIXJN-ZDUSSCGKSA-N 2 1 245.370 1.964 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCCn2cccn2)CC[N@H+]1C ZINC000126982972 388710864 /nfs/dbraw/zinc/71/08/64/388710864.db2.gz ILUGDTKKZDJTBE-STQMWFEESA-N 2 1 236.363 1.346 20 0 BDADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252086744 388760845 /nfs/dbraw/zinc/76/08/45/388760845.db2.gz GPBHNMJSLRAQOT-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)CC[N@H+]1C ZINC000252127314 388760918 /nfs/dbraw/zinc/76/09/18/388760918.db2.gz LOOBJBFPGJOIDU-FRRDWIJNSA-N 2 1 226.364 1.628 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252708877 388771993 /nfs/dbraw/zinc/77/19/93/388771993.db2.gz BIXZCCIVSOGIAA-WRWGMCAJSA-N 2 1 246.420 1.029 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252708877 388771995 /nfs/dbraw/zinc/77/19/95/388771995.db2.gz BIXZCCIVSOGIAA-WRWGMCAJSA-N 2 1 246.420 1.029 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000252709490 388774036 /nfs/dbraw/zinc/77/40/36/388774036.db2.gz CZRYIQJPTUKPFP-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000252709490 388774041 /nfs/dbraw/zinc/77/40/41/388774041.db2.gz CZRYIQJPTUKPFP-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000252709490 388774043 /nfs/dbraw/zinc/77/40/43/388774043.db2.gz CZRYIQJPTUKPFP-MCIONIFRSA-N 3 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+]1CCCc1cncn1C ZINC000564667247 388883226 /nfs/dbraw/zinc/88/32/26/388883226.db2.gz SULTUTMDNXZFJA-PHIMTYICSA-N 2 1 207.321 1.835 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000565214574 388927520 /nfs/dbraw/zinc/92/75/20/388927520.db2.gz HOSRIQKYJCMFTI-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cc(N2CCCC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000044559354 132225104 /nfs/dbraw/zinc/22/51/04/132225104.db2.gz SLYDHBZPBRNSDW-LLVKDONJSA-N 2 1 220.320 1.411 20 0 BDADMP O[C@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000565544136 388953103 /nfs/dbraw/zinc/95/31/03/388953103.db2.gz QVPVSISZOUKZPM-DGAVXFQQSA-N 2 1 238.375 1.221 20 0 BDADMP O[C@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000565544136 388953100 /nfs/dbraw/zinc/95/31/00/388953100.db2.gz QVPVSISZOUKZPM-DGAVXFQQSA-N 2 1 238.375 1.221 20 0 BDADMP COC[C@H](C)C[N@@H+]1CCN2CCC1CC2 ZINC000565801337 388970581 /nfs/dbraw/zinc/97/05/81/388970581.db2.gz OJYVBUFWZJXNPZ-LLVKDONJSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H](C)C[N@H+]1CCN2CCC1CC2 ZINC000565801337 388970583 /nfs/dbraw/zinc/97/05/83/388970583.db2.gz OJYVBUFWZJXNPZ-LLVKDONJSA-N 2 1 212.337 1.049 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257641401 533376962 /nfs/dbraw/zinc/37/69/62/533376962.db2.gz AZZBCXLCSLVXBO-VXGBXAGGSA-N 2 1 226.389 1.425 20 0 BDADMP COc1c[nH+]ccc1N1CC[NH+](C(C)C)CC1 ZINC000361519673 132280256 /nfs/dbraw/zinc/28/02/56/132280256.db2.gz PIORCKBOFCRRMK-UHFFFAOYSA-N 2 1 235.331 1.621 20 0 BDADMP Cc1cccc(N2CCC([NH2+]C3COC3)CC2)[nH+]1 ZINC000363145450 132282213 /nfs/dbraw/zinc/28/22/13/132282213.db2.gz NTSQEVYCOUBERE-UHFFFAOYSA-N 2 1 247.342 1.347 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2ccccc2OC1 ZINC000335467648 133856013 /nfs/dbraw/zinc/85/60/13/133856013.db2.gz AHASTNIMXMMEJI-PWSUYJOCSA-N 2 1 220.316 1.317 20 0 BDADMP Cc1nocc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000335943256 134018829 /nfs/dbraw/zinc/01/88/29/134018829.db2.gz ZUBNDJAXVRIIHI-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335943256 134018830 /nfs/dbraw/zinc/01/88/30/134018830.db2.gz ZUBNDJAXVRIIHI-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000335943256 134018831 /nfs/dbraw/zinc/01/88/31/134018831.db2.gz ZUBNDJAXVRIIHI-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1nocc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000335943256 134018832 /nfs/dbraw/zinc/01/88/32/134018832.db2.gz ZUBNDJAXVRIIHI-OCCSQVGLSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1n[nH]cc1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000335970971 134029631 /nfs/dbraw/zinc/02/96/31/134029631.db2.gz JORNIBVPOPWOOP-DGCLKSJQSA-N 2 1 234.347 1.244 20 0 BDADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000352004784 134034763 /nfs/dbraw/zinc/03/47/63/134034763.db2.gz QCEFAOMAZTZUBG-NWDGAFQWSA-N 2 1 246.370 1.512 20 0 BDADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000352004784 134034764 /nfs/dbraw/zinc/03/47/64/134034764.db2.gz QCEFAOMAZTZUBG-NWDGAFQWSA-N 2 1 246.370 1.512 20 0 BDADMP C1CC[NH+]([C@@H]2CCC[N@@H+]([C@H]3CCOC3)CC2)C1 ZINC000336180247 134119608 /nfs/dbraw/zinc/11/96/08/134119608.db2.gz SVPIVVNHEDKYAQ-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C1CC[NH+]([C@@H]2CCC[N@H+]([C@H]3CCOC3)CC2)C1 ZINC000336180247 134119609 /nfs/dbraw/zinc/11/96/09/134119609.db2.gz SVPIVVNHEDKYAQ-KGLIPLIRSA-N 2 1 238.375 1.726 20 0 BDADMP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1n1ccnc1 ZINC000336197867 134127603 /nfs/dbraw/zinc/12/76/03/134127603.db2.gz HXNWQDKSXZGDNV-RYUDHWBXSA-N 2 1 236.363 1.503 20 0 BDADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1n1ccnc1 ZINC000336197867 134127604 /nfs/dbraw/zinc/12/76/04/134127604.db2.gz HXNWQDKSXZGDNV-RYUDHWBXSA-N 2 1 236.363 1.503 20 0 BDADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000218841396 134265147 /nfs/dbraw/zinc/26/51/47/134265147.db2.gz NKYKTQORFVYJLI-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCOCC1 ZINC000174350337 134280958 /nfs/dbraw/zinc/28/09/58/134280958.db2.gz KWWBTRSEDQNIDA-NSHDSACASA-N 2 1 237.347 1.596 20 0 BDADMP C[C@@H]1CCC[C@@H](CO)[N@H+]1CCCn1ccnc1 ZINC000181402843 134336369 /nfs/dbraw/zinc/33/63/69/134336369.db2.gz GGSOPCSISLJDLL-OLZOCXBDSA-N 2 1 237.347 1.509 20 0 BDADMP CC[N@@H+](CCNC1CC[NH+](CC)CC1)C1CC1 ZINC000223065141 134336434 /nfs/dbraw/zinc/33/64/34/134336434.db2.gz ZAPPPBMFOSQITD-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@@H+]1C ZINC000181522293 134337589 /nfs/dbraw/zinc/33/75/89/134337589.db2.gz XFAPHODHPWZOMX-AGIUHOORSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)CC[N@H+]1C ZINC000181522293 134337590 /nfs/dbraw/zinc/33/75/90/134337590.db2.gz XFAPHODHPWZOMX-AGIUHOORSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000223819161 134343037 /nfs/dbraw/zinc/34/30/37/134343037.db2.gz VRKUISYUWHJMCD-NSHDSACASA-N 2 1 236.363 1.935 20 0 BDADMP CCCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182959057 134349994 /nfs/dbraw/zinc/34/99/94/134349994.db2.gz QGMLGHGVDODFLX-UHFFFAOYSA-N 2 1 241.423 1.746 20 0 BDADMP CC(C)n1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000226243079 134362180 /nfs/dbraw/zinc/36/21/80/134362180.db2.gz SZXUXCCCLQRZFQ-LBPRGKRZSA-N 2 1 238.379 1.894 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccncc1 ZINC000132755553 134665716 /nfs/dbraw/zinc/66/57/16/134665716.db2.gz UYMHCBOVIRGFFN-JSGCOSHPSA-N 2 1 233.359 1.554 20 0 BDADMP Cc1oncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249276869 135026943 /nfs/dbraw/zinc/02/69/43/135026943.db2.gz MFJSLMSKJXQHPJ-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249276869 135026944 /nfs/dbraw/zinc/02/69/44/135026944.db2.gz MFJSLMSKJXQHPJ-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249276869 135026946 /nfs/dbraw/zinc/02/69/46/135026946.db2.gz MFJSLMSKJXQHPJ-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1oncc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249276869 135026947 /nfs/dbraw/zinc/02/69/47/135026947.db2.gz MFJSLMSKJXQHPJ-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1cc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)on1 ZINC000249813885 135046065 /nfs/dbraw/zinc/04/60/65/135046065.db2.gz JPAPUAUKVZTNSQ-IRUJWGPZSA-N 2 1 237.347 1.801 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251001559 135061371 /nfs/dbraw/zinc/06/13/71/135061371.db2.gz PRJKEOUJVZLPTB-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251098961 135063999 /nfs/dbraw/zinc/06/39/99/135063999.db2.gz DBIZBRJBORRAFW-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251098961 135064001 /nfs/dbraw/zinc/06/40/01/135064001.db2.gz DBIZBRJBORRAFW-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000251098961 135064004 /nfs/dbraw/zinc/06/40/04/135064004.db2.gz DBIZBRJBORRAFW-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSC2)CC[N@@H+]1C ZINC000251721309 135075796 /nfs/dbraw/zinc/07/57/96/135075796.db2.gz CAGYARYUVLWXRE-MXWKQRLJSA-N 2 1 214.378 1.564 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCSC2)CC[N@H+]1C ZINC000251721309 135075798 /nfs/dbraw/zinc/07/57/98/135075798.db2.gz CAGYARYUVLWXRE-MXWKQRLJSA-N 2 1 214.378 1.564 20 0 BDADMP C[C@@H]1CSCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251858567 135078732 /nfs/dbraw/zinc/07/87/32/135078732.db2.gz SFHYONGJBDWGIJ-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]1CN(c2cc[nH+]cc2Cl)CC[C@H]1[NH3+] ZINC000251854670 135079278 /nfs/dbraw/zinc/07/92/78/135079278.db2.gz RVMZAERYUUDHLW-WCBMZHEXSA-N 2 1 225.723 1.909 20 0 BDADMP C[C@H]1CCC[C@@H]([N@@H+](C)CCOCC[NH3+])C1 ZINC000086435505 135084561 /nfs/dbraw/zinc/08/45/61/135084561.db2.gz PBPHZUXDUMNFRF-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH3+] ZINC000086501007 135087327 /nfs/dbraw/zinc/08/73/27/135087327.db2.gz LNOBKBSHJOAXAE-RYUDHWBXSA-N 3 1 213.369 1.236 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1C ZINC000252450665 135089566 /nfs/dbraw/zinc/08/95/66/135089566.db2.gz QSBZWMVNZONPPW-XQHKEYJVSA-N 2 1 228.380 1.323 20 0 BDADMP CCC(CC)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544940 135091729 /nfs/dbraw/zinc/09/17/29/135091729.db2.gz IUTJINUXJMCUHD-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CCC(CC)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252544940 135091731 /nfs/dbraw/zinc/09/17/31/135091731.db2.gz IUTJINUXJMCUHD-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252552981 135092393 /nfs/dbraw/zinc/09/23/93/135092393.db2.gz QSEDXXALCTVNDE-XUXIUFHCSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252552981 135092394 /nfs/dbraw/zinc/09/23/94/135092394.db2.gz QSEDXXALCTVNDE-XUXIUFHCSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673511 135095403 /nfs/dbraw/zinc/09/54/03/135095403.db2.gz KCAAYDNUTAIHEV-STQMWFEESA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673511 135095405 /nfs/dbraw/zinc/09/54/05/135095405.db2.gz KCAAYDNUTAIHEV-STQMWFEESA-N 2 1 248.374 1.743 20 0 BDADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703275 135097921 /nfs/dbraw/zinc/09/79/21/135097921.db2.gz PNDZPQWNBJDJML-VOAKCMCISA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000252714031 135100205 /nfs/dbraw/zinc/10/02/05/135100205.db2.gz QVUQVTGUCCZOPM-VXGBXAGGSA-N 2 1 228.380 1.325 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000252713131 135100249 /nfs/dbraw/zinc/10/02/49/135100249.db2.gz OKJUPXFJWPLMJC-AVGNSLFASA-N 2 1 227.396 1.256 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)C)[C@@H](C)C1 ZINC000252713131 135100251 /nfs/dbraw/zinc/10/02/51/135100251.db2.gz OKJUPXFJWPLMJC-AVGNSLFASA-N 2 1 227.396 1.256 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)C)[C@@H](C)C1 ZINC000252713131 135100252 /nfs/dbraw/zinc/10/02/52/135100252.db2.gz OKJUPXFJWPLMJC-AVGNSLFASA-N 2 1 227.396 1.256 20 0 BDADMP Cc1ncsc1CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886225 135100343 /nfs/dbraw/zinc/10/03/43/135100343.db2.gz BLRJUSNEZJTSAU-KOLCDFICSA-N 2 1 239.388 1.663 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000252787438 135109987 /nfs/dbraw/zinc/10/99/87/135109987.db2.gz WLLQAXFACSVMHP-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000252787438 135109990 /nfs/dbraw/zinc/10/99/90/135109990.db2.gz WLLQAXFACSVMHP-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H](O)[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000252787438 135109993 /nfs/dbraw/zinc/10/99/93/135109993.db2.gz WLLQAXFACSVMHP-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000252790943 135111119 /nfs/dbraw/zinc/11/11/19/135111119.db2.gz ZILMTXOBIKHCSQ-NOOOWODRSA-N 2 1 226.364 1.076 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000252790943 135111121 /nfs/dbraw/zinc/11/11/21/135111121.db2.gz ZILMTXOBIKHCSQ-NOOOWODRSA-N 2 1 226.364 1.076 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@H]1CCOC1 ZINC000253077278 135120319 /nfs/dbraw/zinc/12/03/19/135120319.db2.gz RZJHVOKIWDMQHS-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000253245386 135124670 /nfs/dbraw/zinc/12/46/70/135124670.db2.gz GDZHSXZMRVPHJU-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]([NH3+])C1CC[NH+](Cc2nccs2)CC1 ZINC000087393585 135127764 /nfs/dbraw/zinc/12/77/64/135127764.db2.gz RMHGSWGYGOMORE-VIFPVBQESA-N 2 1 225.361 1.702 20 0 BDADMP C[C@@]1(F)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000258105599 135132244 /nfs/dbraw/zinc/13/22/44/135132244.db2.gz OGRLXTMWNVSTPP-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@@]1(F)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000258105599 135132245 /nfs/dbraw/zinc/13/22/45/135132245.db2.gz OGRLXTMWNVSTPP-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP Cc1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)oc1C ZINC000257646812 135137899 /nfs/dbraw/zinc/13/78/99/135137899.db2.gz CIHRXGFHDSDQTF-UHFFFAOYSA-N 2 1 249.358 1.867 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257684519 135139028 /nfs/dbraw/zinc/13/90/28/135139028.db2.gz HTAZKDAFQUTLBW-ZDUSSCGKSA-N 2 1 217.316 1.580 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257739688 135140436 /nfs/dbraw/zinc/14/04/36/135140436.db2.gz YQQCCEWKYYBERD-STQMWFEESA-N 2 1 240.416 1.815 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257708564 135140459 /nfs/dbraw/zinc/14/04/59/135140459.db2.gz NEWFSCUXENHWJX-AWEZNQCLSA-N 2 1 237.391 1.156 20 0 BDADMP C(C1CCCC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257708566 135140569 /nfs/dbraw/zinc/14/05/69/135140569.db2.gz NEWFSCUXENHWJX-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP c1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000257714994 135141134 /nfs/dbraw/zinc/14/11/34/135141134.db2.gz UPNXUXAXFFCFDC-UHFFFAOYSA-N 2 1 237.372 1.719 20 0 BDADMP COC[C@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000087478210 135143516 /nfs/dbraw/zinc/14/35/16/135143516.db2.gz XTIKRBMDDZPPHE-LBPRGKRZSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1[C@H]([NH3+])CCN1c1cc[nH+]cc1Cl ZINC000261527574 135152271 /nfs/dbraw/zinc/15/22/71/135152271.db2.gz CYFWSGDQSDAQPW-IONNQARKSA-N 2 1 211.696 1.661 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CCN1c1cc[nH+]cc1Cl ZINC000261527573 135152457 /nfs/dbraw/zinc/15/24/57/135152457.db2.gz CYFWSGDQSDAQPW-CBAPKCEASA-N 2 1 211.696 1.661 20 0 BDADMP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000261530518 135158454 /nfs/dbraw/zinc/15/84/54/135158454.db2.gz CPRNBDXBYPYFSM-VXGBXAGGSA-N 2 1 222.357 1.932 20 0 BDADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000261530518 135158455 /nfs/dbraw/zinc/15/84/55/135158455.db2.gz CPRNBDXBYPYFSM-VXGBXAGGSA-N 2 1 222.357 1.932 20 0 BDADMP CC(C)(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261531448 135160320 /nfs/dbraw/zinc/16/03/20/135160320.db2.gz GODWNTBNSCIRMF-VXGBXAGGSA-N 2 1 210.365 1.964 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261531678 135161051 /nfs/dbraw/zinc/16/10/51/135161051.db2.gz HLQRBYTZUPEIBU-VXGBXAGGSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@@H+](CCc1ccccc1)C1CC([NH3+])C1 ZINC000087653603 135161410 /nfs/dbraw/zinc/16/14/10/135161410.db2.gz VBJQMCHMIZTXCB-UHFFFAOYSA-N 2 1 204.317 1.651 20 0 BDADMP CCc1nc(N(C)[C@H](C)C[NH3+])cc(C)[nH+]1 ZINC000261532185 135162583 /nfs/dbraw/zinc/16/25/83/135162583.db2.gz JNYPYWZTYSXFPH-SECBINFHSA-N 2 1 208.309 1.131 20 0 BDADMP CC(C)[N@@H+](CCOCC[NH3+])CC1CCC1 ZINC000261534435 135166808 /nfs/dbraw/zinc/16/68/08/135166808.db2.gz MKEJQLYJUGPYKI-UHFFFAOYSA-N 2 1 214.353 1.472 20 0 BDADMP CO[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1C ZINC000261534663 135168064 /nfs/dbraw/zinc/16/80/64/135168064.db2.gz SLPQZGWINJSYIL-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]12 ZINC000261534869 135168508 /nfs/dbraw/zinc/16/85/08/135168508.db2.gz NGOWVAFESPMHPF-XHNCKOQMSA-N 2 1 222.254 1.608 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCS[C@H](C)C2)CC[NH2+]1 ZINC000261535375 135169790 /nfs/dbraw/zinc/16/97/90/135169790.db2.gz OIQXNOOHCWVUKV-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccnc1 ZINC000261535794 135170280 /nfs/dbraw/zinc/17/02/80/135170280.db2.gz PFGQWZLKUCTJPK-GFCCVEGCSA-N 2 1 207.321 1.545 20 0 BDADMP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000261536521 135172271 /nfs/dbraw/zinc/17/22/71/135172271.db2.gz RZYLMXCQKOOSGY-GFCCVEGCSA-N 2 1 222.357 1.934 20 0 BDADMP c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000261536521 135172273 /nfs/dbraw/zinc/17/22/73/135172273.db2.gz RZYLMXCQKOOSGY-GFCCVEGCSA-N 2 1 222.357 1.934 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccco1 ZINC000261537699 135175077 /nfs/dbraw/zinc/17/50/77/135175077.db2.gz WEEZCASXIANOCZ-VWYCJHECSA-N 2 1 208.305 1.928 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCCN2C)CC[NH2+]1 ZINC000261540983 135180192 /nfs/dbraw/zinc/18/01/92/135180192.db2.gz IAVZSUDDKMXQJI-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261544375 135185058 /nfs/dbraw/zinc/18/50/58/135185058.db2.gz DVLCVNPOGCKNSJ-WCFLWFBJSA-N 2 1 235.331 1.461 20 0 BDADMP CC(C)C[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000261548684 135187176 /nfs/dbraw/zinc/18/71/76/135187176.db2.gz NVSWNBMXXKJSDX-GFCCVEGCSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000261551043 135189968 /nfs/dbraw/zinc/18/99/68/135189968.db2.gz PZWIUMPATRHCCO-PWSUYJOCSA-N 2 1 212.337 1.082 20 0 BDADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCCO1 ZINC000261552546 135191178 /nfs/dbraw/zinc/19/11/78/135191178.db2.gz NABBRUZADHGUPV-ZDUSSCGKSA-N 2 1 238.375 1.631 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cscn1 ZINC000084216880 135192819 /nfs/dbraw/zinc/19/28/19/135192819.db2.gz KXKOEAUBMISZOY-ONGXEEELSA-N 2 1 225.361 1.750 20 0 BDADMP C[C@@H]1CSCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261553207 135192948 /nfs/dbraw/zinc/19/29/48/135192948.db2.gz SIUKBTOPRKZUDD-NWDGAFQWSA-N 2 1 228.405 1.671 20 0 BDADMP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC[NH3+])C1 ZINC000261554512 135194369 /nfs/dbraw/zinc/19/43/69/135194369.db2.gz UIFOQNCPMACZLK-JQWIXIFHSA-N 2 1 214.353 1.112 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000261556200 135196054 /nfs/dbraw/zinc/19/60/54/135196054.db2.gz QNZYYPSDVMVFGV-CHWSQXEVSA-N 2 1 236.363 1.108 20 0 BDADMP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(C)[nH+]1 ZINC000261557141 135198081 /nfs/dbraw/zinc/19/80/81/135198081.db2.gz RGYIDGVIBQJPDK-NEPJUHHUSA-N 2 1 232.331 1.139 20 0 BDADMP COc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000261557745 135198623 /nfs/dbraw/zinc/19/86/23/135198623.db2.gz RWYVGEUEZVLNHS-VHSXEESVSA-N 2 1 238.331 1.529 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261558070 135198798 /nfs/dbraw/zinc/19/87/98/135198798.db2.gz SFEDBQYIZBLQIG-NWDGAFQWSA-N 2 1 235.331 1.333 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261558070 135198800 /nfs/dbraw/zinc/19/88/00/135198800.db2.gz SFEDBQYIZBLQIG-NWDGAFQWSA-N 2 1 235.331 1.333 20 0 BDADMP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc(C)[nH+]1 ZINC000261564614 135207248 /nfs/dbraw/zinc/20/72/48/135207248.db2.gz XTVYCSGQBVBVRA-QJPTWQEYSA-N 2 1 232.331 1.267 20 0 BDADMP Cc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261567839 135209598 /nfs/dbraw/zinc/20/95/98/135209598.db2.gz ITFFOCLJFVNHRC-RRFJBIMHSA-N 2 1 245.370 1.949 20 0 BDADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000261568390 135210732 /nfs/dbraw/zinc/21/07/32/135210732.db2.gz FNDRXXVXESOJGU-NWDGAFQWSA-N 2 1 214.353 1.472 20 0 BDADMP Cc1cccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)[nH+]1 ZINC000261569508 135211436 /nfs/dbraw/zinc/21/14/36/135211436.db2.gz GIQGLBSFKMYXQX-NWDGAFQWSA-N 2 1 217.316 1.578 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]12 ZINC000261570963 135213155 /nfs/dbraw/zinc/21/31/55/135213155.db2.gz HFGJOFGGQVYRRN-UMSGYPCISA-N 2 1 224.348 1.082 20 0 BDADMP CCc1nc(N2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000261573076 135214868 /nfs/dbraw/zinc/21/48/68/135214868.db2.gz ILYALMJTADBJSI-SNVBAGLBSA-N 2 1 220.320 1.275 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]12 ZINC000261572818 135214955 /nfs/dbraw/zinc/21/49/55/135214955.db2.gz IIMMPEVUXFGDGF-RWMBFGLXSA-N 2 1 217.316 1.251 20 0 BDADMP CCn1nccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000164147549 135215161 /nfs/dbraw/zinc/21/51/61/135215161.db2.gz XYCKNLRUKZIDLS-QWRGUYRKSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1nccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000164147549 135215162 /nfs/dbraw/zinc/21/51/62/135215162.db2.gz XYCKNLRUKZIDLS-QWRGUYRKSA-N 2 1 222.336 1.072 20 0 BDADMP COCc1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000261573118 135215305 /nfs/dbraw/zinc/21/53/05/135215305.db2.gz IOXWLAZHYJZXHQ-UHFFFAOYSA-N 2 1 222.332 1.660 20 0 BDADMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000261576614 135217530 /nfs/dbraw/zinc/21/75/30/135217530.db2.gz KLCYIMPEJNDKFH-GXFFZTMASA-N 2 1 219.332 1.478 20 0 BDADMP CCc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc(C)[nH+]1 ZINC000261584172 135225154 /nfs/dbraw/zinc/22/51/54/135225154.db2.gz SEDOCRAGYKZLFP-DRZSPHRISA-N 2 1 246.358 1.521 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000261586522 135227675 /nfs/dbraw/zinc/22/76/75/135227675.db2.gz RDJOZSDHYRJWRQ-NSHDSACASA-N 2 1 205.305 1.049 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000261587636 135228802 /nfs/dbraw/zinc/22/88/02/135228802.db2.gz RWFKWWMZBMEMBF-ZMLRMANQSA-N 2 1 221.304 1.152 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000261587636 135228803 /nfs/dbraw/zinc/22/88/03/135228803.db2.gz RWFKWWMZBMEMBF-ZMLRMANQSA-N 2 1 221.304 1.152 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000261589399 135230118 /nfs/dbraw/zinc/23/01/18/135230118.db2.gz TXSJBVKHDCIDHU-NWDGAFQWSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261591578 135231776 /nfs/dbraw/zinc/23/17/76/135231776.db2.gz XSHMJWSYGFSMPP-BYCMXARLSA-N 2 1 245.370 1.815 20 0 BDADMP CCc1nc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261591829 135232971 /nfs/dbraw/zinc/23/29/71/135232971.db2.gz YBRSOWLEEOTBCC-PWSUYJOCSA-N 2 1 248.374 1.769 20 0 BDADMP Fc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261546927 135239347 /nfs/dbraw/zinc/23/93/47/135239347.db2.gz HMFQJVDPCPMFNL-AAEUAGOBSA-N 2 1 234.318 1.867 20 0 BDADMP Fc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261546927 135239348 /nfs/dbraw/zinc/23/93/48/135239348.db2.gz HMFQJVDPCPMFNL-AAEUAGOBSA-N 2 1 234.318 1.867 20 0 BDADMP CCc1nc(C)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])o1 ZINC000261645526 135242743 /nfs/dbraw/zinc/24/27/43/135242743.db2.gz XNEHSGACFPHNBZ-QWRGUYRKSA-N 2 1 237.347 1.762 20 0 BDADMP C[C@H]1[N@@H+](CC(C)(C)[NH3+])CCC12CCOCC2 ZINC000261652205 135242753 /nfs/dbraw/zinc/24/27/53/135242753.db2.gz BCEADHIQDUXBDC-LLVKDONJSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000261716668 135247851 /nfs/dbraw/zinc/24/78/51/135247851.db2.gz FFDPNGIOEKEVCC-KBPBESRZSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(N)c1 ZINC000261750053 135249880 /nfs/dbraw/zinc/24/98/80/135249880.db2.gz WICLNBOLCDEIEH-PWSUYJOCSA-N 2 1 219.332 1.438 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000261866395 135257846 /nfs/dbraw/zinc/25/78/46/135257846.db2.gz NZXYAMVBEWTCDS-QWHCGFSZSA-N 3 1 225.380 1.047 20 0 BDADMP C[NH2+]CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261869290 135258288 /nfs/dbraw/zinc/25/82/88/135258288.db2.gz OJSMXPWYRKIITK-CQSZACIVSA-N 2 1 239.407 1.308 20 0 BDADMP CCOc1cccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000261884833 135260113 /nfs/dbraw/zinc/26/01/13/135260113.db2.gz UXZCWQBATRTTIU-CQSZACIVSA-N 2 1 249.358 1.651 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000261884833 135260115 /nfs/dbraw/zinc/26/01/15/135260115.db2.gz UXZCWQBATRTTIU-CQSZACIVSA-N 2 1 249.358 1.651 20 0 BDADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1C ZINC000261925919 135263598 /nfs/dbraw/zinc/26/35/98/135263598.db2.gz LAWNZPMPHLVVBU-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1C ZINC000261925919 135263600 /nfs/dbraw/zinc/26/36/00/135263600.db2.gz LAWNZPMPHLVVBU-OKILXGFUSA-N 2 1 246.354 1.655 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261935661 135264689 /nfs/dbraw/zinc/26/46/89/135264689.db2.gz LZEPCXKIAALOQD-NEPJUHHUSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261935661 135264690 /nfs/dbraw/zinc/26/46/90/135264690.db2.gz LZEPCXKIAALOQD-NEPJUHHUSA-N 2 1 236.363 1.633 20 0 BDADMP C[C@@H]1C[C@@H](N(C)C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000261947291 135265083 /nfs/dbraw/zinc/26/50/83/135265083.db2.gz FMQXIYLBHSKBJD-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261953283 135266084 /nfs/dbraw/zinc/26/60/84/135266084.db2.gz OOVAVDFSBIMMLN-MCIONIFRSA-N 2 1 238.375 1.676 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000261970197 135268353 /nfs/dbraw/zinc/26/83/53/135268353.db2.gz QGHKHBFPSHSYNK-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP FC(F)COCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262071897 135276744 /nfs/dbraw/zinc/27/67/44/135276744.db2.gz CLEZJMVNKNGKSR-UHFFFAOYSA-N 2 1 248.317 1.344 20 0 BDADMP C[C@]1(C[N@H+](CCO)Cc2ccccc2)CC[NH2+]C1 ZINC000262090787 135278817 /nfs/dbraw/zinc/27/88/17/135278817.db2.gz UVIPELFBRFGZAJ-HNNXBMFYSA-N 2 1 248.370 1.481 20 0 BDADMP C[C@]1(C[N@@H+](CCO)Cc2ccccc2)CC[NH2+]C1 ZINC000262090787 135278819 /nfs/dbraw/zinc/27/88/19/135278819.db2.gz UVIPELFBRFGZAJ-HNNXBMFYSA-N 2 1 248.370 1.481 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262155230 135282498 /nfs/dbraw/zinc/28/24/98/135282498.db2.gz RVUDHYHNTXTDQL-SNVBAGLBSA-N 2 1 236.306 1.200 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262155230 135282500 /nfs/dbraw/zinc/28/25/00/135282500.db2.gz RVUDHYHNTXTDQL-SNVBAGLBSA-N 2 1 236.306 1.200 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)CC[C@H]1CCCO1 ZINC000342583411 135292799 /nfs/dbraw/zinc/29/27/99/135292799.db2.gz AGZRJCJGZNXQGU-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)CC[C@H]1CCCO1 ZINC000342583411 135292801 /nfs/dbraw/zinc/29/28/01/135292801.db2.gz AGZRJCJGZNXQGU-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP CC[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000079342600 135307195 /nfs/dbraw/zinc/30/71/95/135307195.db2.gz VCDZMYNMZPVNAI-AWEZNQCLSA-N 2 1 239.407 1.404 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000334273609 135332298 /nfs/dbraw/zinc/33/22/98/135332298.db2.gz ZLYIJKYPZWQELE-GXTWGEPZSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1cn[nH]c1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334333470 135361693 /nfs/dbraw/zinc/36/16/93/135361693.db2.gz UNNXPVJXYPWHNZ-CQSZACIVSA-N 2 1 248.374 1.636 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334412717 135396511 /nfs/dbraw/zinc/39/65/11/135396511.db2.gz LKNRXLAUDXYINP-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334412717 135396513 /nfs/dbraw/zinc/39/65/13/135396513.db2.gz LKNRXLAUDXYINP-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP CO[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230309523 135529666 /nfs/dbraw/zinc/52/96/66/135529666.db2.gz SLPQZGWINJSYIL-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP C(C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000348102679 136036686 /nfs/dbraw/zinc/03/66/86/136036686.db2.gz BFUXBZUKXWVOOC-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000348102679 136036687 /nfs/dbraw/zinc/03/66/87/136036687.db2.gz BFUXBZUKXWVOOC-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000348152224 136039934 /nfs/dbraw/zinc/03/99/34/136039934.db2.gz BHJHPNKJPYHSFC-DOLQZWNJSA-N 2 1 218.291 1.712 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000348152224 136039935 /nfs/dbraw/zinc/03/99/35/136039935.db2.gz BHJHPNKJPYHSFC-DOLQZWNJSA-N 2 1 218.291 1.712 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CC(C)(F)C2)CC1 ZINC000335374830 136085294 /nfs/dbraw/zinc/08/52/94/136085294.db2.gz VIPFYPBPJMBYED-UHFFFAOYSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCc2occc21)C1C[NH2+]C1 ZINC000335559277 136100547 /nfs/dbraw/zinc/10/05/47/136100547.db2.gz AWXYTVTZFDGVMZ-CABZTGNLSA-N 2 1 220.316 1.855 20 0 BDADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000335562279 136106484 /nfs/dbraw/zinc/10/64/84/136106484.db2.gz BKQHDQJJTXBGKT-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC000335569723 136108880 /nfs/dbraw/zinc/10/88/80/136108880.db2.gz CENMHZXNWDTHGA-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCCO3)C2)C1 ZINC000335569723 136108881 /nfs/dbraw/zinc/10/88/81/136108881.db2.gz CENMHZXNWDTHGA-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCCO3)C2)C1 ZINC000335569723 136108882 /nfs/dbraw/zinc/10/88/82/136108882.db2.gz CENMHZXNWDTHGA-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)OC ZINC000382393276 397945395 /nfs/dbraw/zinc/94/53/95/397945395.db2.gz MZPBAADHKMRPHE-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000011891412 397901764 /nfs/dbraw/zinc/90/17/64/397901764.db2.gz HGPKPSAMLUWWOR-CQSZACIVSA-N 2 1 218.344 1.900 20 0 BDADMP CCc1nc(N[C@@H]2CC[NH2+][C@H](C)C2)cc(C)[nH+]1 ZINC000383071125 397997954 /nfs/dbraw/zinc/99/79/54/397997954.db2.gz QAVWUEFFCKMUSZ-MWLCHTKSSA-N 2 1 234.347 1.322 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)[C@@H](C)C1 ZINC000649700277 398047801 /nfs/dbraw/zinc/04/78/01/398047801.db2.gz DZEUWCRBPCAUSY-PDWCTOEPSA-N 2 1 240.391 1.872 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]21 ZINC000163665553 398030369 /nfs/dbraw/zinc/03/03/69/398030369.db2.gz MSRUTIOSCBMISJ-KXUCPTDWSA-N 2 1 236.281 1.998 20 0 BDADMP CCCN1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414829581 398050516 /nfs/dbraw/zinc/05/05/16/398050516.db2.gz LBVVHNGQGNSVAV-CYBMUJFWSA-N 2 1 239.407 1.450 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414851175 398059487 /nfs/dbraw/zinc/05/94/87/398059487.db2.gz OURGNAWYFNNXMW-REWJHTLYSA-N 3 1 239.407 1.352 20 0 BDADMP COC(=O)C1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000414863215 398068584 /nfs/dbraw/zinc/06/85/84/398068584.db2.gz ICGJICFAHTYCLG-HTAVTVPLSA-N 2 1 240.347 1.060 20 0 BDADMP CC(C)(C)[NH2+]CCNCCC[C@H]1CCC[NH2+]1 ZINC000414969843 398131512 /nfs/dbraw/zinc/13/15/12/398131512.db2.gz UGQOUZIEWBIRPI-LBPRGKRZSA-N 2 1 227.396 1.496 20 0 BDADMP CC(C)(C)NCC[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969843 398131514 /nfs/dbraw/zinc/13/15/14/398131514.db2.gz UGQOUZIEWBIRPI-LBPRGKRZSA-N 2 1 227.396 1.496 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414969929 398132226 /nfs/dbraw/zinc/13/22/26/398132226.db2.gz FTSIBVMUCAHKLM-MJBXVCDLSA-N 2 1 241.423 1.694 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C1CC([NH3+])C1 ZINC000385110901 398134321 /nfs/dbraw/zinc/13/43/21/398134321.db2.gz CYNCLTZTMVQMSW-WXRRBKDZSA-N 2 1 238.375 1.900 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000108369541 167094866 /nfs/dbraw/zinc/09/48/66/167094866.db2.gz GPDIBIIAELAADQ-CYBMUJFWSA-N 2 1 226.364 1.628 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000258903256 322878472 /nfs/dbraw/zinc/87/84/72/322878472.db2.gz HSXMCRORCBHEJK-RYUDHWBXSA-N 2 1 238.306 1.804 20 0 BDADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3(F)CC3)CC[C@@H]21 ZINC000526972919 487608230 /nfs/dbraw/zinc/60/82/30/487608230.db2.gz ZIAPGZDAFPTZNS-RYUDHWBXSA-N 2 1 226.339 1.905 20 0 BDADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(F)CC3)CC[C@@H]21 ZINC000526972919 487608232 /nfs/dbraw/zinc/60/82/32/487608232.db2.gz ZIAPGZDAFPTZNS-RYUDHWBXSA-N 2 1 226.339 1.905 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(F)CC3)CC[C@@H]21 ZINC000526972919 487608235 /nfs/dbraw/zinc/60/82/35/487608235.db2.gz ZIAPGZDAFPTZNS-RYUDHWBXSA-N 2 1 226.339 1.905 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(F)CC3)CC[C@@H]21 ZINC000526972919 487608239 /nfs/dbraw/zinc/60/82/39/487608239.db2.gz ZIAPGZDAFPTZNS-RYUDHWBXSA-N 2 1 226.339 1.905 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000662245199 409537521 /nfs/dbraw/zinc/53/75/21/409537521.db2.gz IUFBYQCEIWSFQB-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662248773 409548901 /nfs/dbraw/zinc/54/89/01/409548901.db2.gz DAMKBXKYTCKKRI-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285764 409618696 /nfs/dbraw/zinc/61/86/96/409618696.db2.gz HHKYSJXOVCHERQ-UHFFFAOYSA-N 2 1 234.343 1.199 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000566087933 410065787 /nfs/dbraw/zinc/06/57/87/410065787.db2.gz FRSLKCFUAIEYGQ-GLQYFDAESA-N 2 1 245.370 1.720 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)COCC2CC2)CC1 ZINC000651983116 410127937 /nfs/dbraw/zinc/12/79/37/410127937.db2.gz QDUZEQABVILQJX-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718457 410355087 /nfs/dbraw/zinc/35/50/87/410355087.db2.gz NGEQCFXMMNATOQ-UHFFFAOYSA-N 2 1 248.305 1.606 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000650712146 410343160 /nfs/dbraw/zinc/34/31/60/410343160.db2.gz SJDCVVJKDZBZGI-TZMCWYRMSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C2(CCC2)CO1 ZINC000650720275 410358701 /nfs/dbraw/zinc/35/87/01/410358701.db2.gz KJRNJVHXKWDIOL-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH2+]Cc1ccccc1CNC[C@]1(C)CC[NH2+]C1 ZINC000650720686 410360583 /nfs/dbraw/zinc/36/05/83/410360583.db2.gz YODWQCGNJYTDBR-OAHLLOKOSA-N 2 1 247.386 1.495 20 0 BDADMP FC1(F)C[C@@]12CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000650725327 410363257 /nfs/dbraw/zinc/36/32/57/410363257.db2.gz YJTIKALRTMHOKO-WDEREUQCSA-N 2 1 230.302 1.717 20 0 BDADMP [NH3+]CC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000650746024 410385474 /nfs/dbraw/zinc/38/54/74/410385474.db2.gz ULMWNQKYFFRZBM-CHWSQXEVSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@H]([NH2+][C@H]1CNc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000650747921 410386690 /nfs/dbraw/zinc/38/66/90/410386690.db2.gz KIKZPYNQMRIBLS-YUTCNCBUSA-N 2 1 245.370 1.753 20 0 BDADMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1c[nH+]ccc1N ZINC000650747695 410388144 /nfs/dbraw/zinc/38/81/44/410388144.db2.gz FTDHBNIEEKLAHH-JTQLQIEISA-N 3 1 234.347 1.274 20 0 BDADMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1c[nH+]ccc1N ZINC000650747696 410388669 /nfs/dbraw/zinc/38/86/69/410388669.db2.gz FTDHBNIEEKLAHH-SNVBAGLBSA-N 3 1 234.347 1.274 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC1(C)C ZINC000309268264 410690704 /nfs/dbraw/zinc/69/07/04/410690704.db2.gz QOOFGHANSKGHMG-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC1(C)C ZINC000309268264 410690711 /nfs/dbraw/zinc/69/07/11/410690711.db2.gz QOOFGHANSKGHMG-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000309268264 410690714 /nfs/dbraw/zinc/69/07/14/410690714.db2.gz QOOFGHANSKGHMG-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000309268264 410690722 /nfs/dbraw/zinc/69/07/22/410690722.db2.gz QOOFGHANSKGHMG-NEPJUHHUSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(CC)C1 ZINC000309276216 410700856 /nfs/dbraw/zinc/70/08/56/410700856.db2.gz SCNOLNNIWDFORI-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(CC)C1 ZINC000309276216 410700859 /nfs/dbraw/zinc/70/08/59/410700859.db2.gz SCNOLNNIWDFORI-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(CC)C1 ZINC000309276216 410700862 /nfs/dbraw/zinc/70/08/62/410700862.db2.gz SCNOLNNIWDFORI-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000393837410 410764011 /nfs/dbraw/zinc/76/40/11/410764011.db2.gz RGNLSSSEBVJGID-RDBSUJKOSA-N 2 1 242.407 1.856 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000665297722 410817280 /nfs/dbraw/zinc/81/72/80/410817280.db2.gz KHYIQMVBUMPQGU-SDDRHHMPSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2C)CCO1 ZINC000394864327 410829035 /nfs/dbraw/zinc/82/90/35/410829035.db2.gz SHWJVGZJJSMFOZ-RQJABVFESA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357087774 167216585 /nfs/dbraw/zinc/21/65/85/167216585.db2.gz WZKDLTYEHXYFCV-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336657367 167234694 /nfs/dbraw/zinc/23/46/94/167234694.db2.gz IHMOZBQXFCZGEV-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336657367 167234697 /nfs/dbraw/zinc/23/46/97/167234697.db2.gz IHMOZBQXFCZGEV-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336657367 167234700 /nfs/dbraw/zinc/23/47/00/167234700.db2.gz IHMOZBQXFCZGEV-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309440213 167368325 /nfs/dbraw/zinc/36/83/25/167368325.db2.gz NWFYFJOWWDRVIW-YPMHNXCESA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000309440213 167368328 /nfs/dbraw/zinc/36/83/28/167368328.db2.gz NWFYFJOWWDRVIW-YPMHNXCESA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309440213 167368331 /nfs/dbraw/zinc/36/83/31/167368331.db2.gz NWFYFJOWWDRVIW-YPMHNXCESA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309440213 167368334 /nfs/dbraw/zinc/36/83/34/167368334.db2.gz NWFYFJOWWDRVIW-YPMHNXCESA-N 2 1 228.380 1.418 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000042422730 411000638 /nfs/dbraw/zinc/00/06/38/411000638.db2.gz XAUBYVIUSRCBHZ-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000300136685 411079229 /nfs/dbraw/zinc/07/92/29/411079229.db2.gz RLGWJVDBYMKCFX-BFHYXJOUSA-N 2 1 237.391 1.345 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866542 411147883 /nfs/dbraw/zinc/14/78/83/411147883.db2.gz INZONYLOHBNZID-UHFFFAOYSA-N 2 1 238.379 1.786 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866542 411147884 /nfs/dbraw/zinc/14/78/84/411147884.db2.gz INZONYLOHBNZID-UHFFFAOYSA-N 2 1 238.379 1.786 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000651864883 411147935 /nfs/dbraw/zinc/14/79/35/411147935.db2.gz HXGVCHPODZXCEK-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP [NH3+]C1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000655936615 411160455 /nfs/dbraw/zinc/16/04/55/411160455.db2.gz IIMUSIJPHSWMAB-UHFFFAOYSA-N 2 1 245.326 1.793 20 0 BDADMP Cc1noc(C[N@H+](C)CCC2CC[NH2+]CC2)n1 ZINC000655948921 411161336 /nfs/dbraw/zinc/16/13/36/411161336.db2.gz IESDSEXNXQLBRL-UHFFFAOYSA-N 2 1 238.335 1.200 20 0 BDADMP Cc1noc(C[N@@H+](C)CCC2CC[NH2+]CC2)n1 ZINC000655948921 411161338 /nfs/dbraw/zinc/16/13/38/411161338.db2.gz IESDSEXNXQLBRL-UHFFFAOYSA-N 2 1 238.335 1.200 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000300717280 411125593 /nfs/dbraw/zinc/12/55/93/411125593.db2.gz ONFOVAYUDWSOHL-DGCLKSJQSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC2CCCC2)CCO1 ZINC000300717280 411125595 /nfs/dbraw/zinc/12/55/95/411125595.db2.gz ONFOVAYUDWSOHL-DGCLKSJQSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCC(C)(C)C)CCO1 ZINC000300841691 411127306 /nfs/dbraw/zinc/12/73/06/411127306.db2.gz JVYXMGNEDKXAGZ-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCC(C)(C)C)CCO1 ZINC000300841691 411127308 /nfs/dbraw/zinc/12/73/08/411127308.db2.gz JVYXMGNEDKXAGZ-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657937654 411173184 /nfs/dbraw/zinc/17/31/84/411173184.db2.gz KBMKAFTUCXYMJP-ZDUSSCGKSA-N 2 1 236.359 1.550 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000659879978 411177908 /nfs/dbraw/zinc/17/79/08/411177908.db2.gz YYGSTXKBUTXNJP-UONOGXRCSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000659879978 411177910 /nfs/dbraw/zinc/17/79/10/411177910.db2.gz YYGSTXKBUTXNJP-UONOGXRCSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000659879978 411177912 /nfs/dbraw/zinc/17/79/12/411177912.db2.gz YYGSTXKBUTXNJP-UONOGXRCSA-N 2 1 240.391 1.562 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000655754149 411184044 /nfs/dbraw/zinc/18/40/44/411184044.db2.gz NVCUILPROPIYHK-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000309663430 411197064 /nfs/dbraw/zinc/19/70/64/411197064.db2.gz ZDEXEJXEPKLETR-SNVBAGLBSA-N 2 1 208.349 1.716 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656192620 411198368 /nfs/dbraw/zinc/19/83/68/411198368.db2.gz MCCCPNQIFGCSFY-MSXOGSJSSA-N 3 1 223.364 1.129 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000656192619 411198534 /nfs/dbraw/zinc/19/85/34/411198534.db2.gz MCCCPNQIFGCSFY-KZKMVBDOSA-N 3 1 223.364 1.129 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C[C@H](C)O)C1CC1 ZINC000656195079 411200455 /nfs/dbraw/zinc/20/04/55/411200455.db2.gz YOTITHYAPPQMAK-WDEREUQCSA-N 2 1 214.353 1.205 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C[C@H](C)O)C1CC1 ZINC000656195079 411200459 /nfs/dbraw/zinc/20/04/59/411200459.db2.gz YOTITHYAPPQMAK-WDEREUQCSA-N 2 1 214.353 1.205 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000656197366 411202732 /nfs/dbraw/zinc/20/27/32/411202732.db2.gz CMTPZJUMBDNTKF-WDEREUQCSA-N 2 1 223.295 1.580 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ncn1 ZINC000656198151 411203115 /nfs/dbraw/zinc/20/31/15/411203115.db2.gz HTTCMKXWFOQURJ-WDEREUQCSA-N 2 1 220.320 1.145 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656200968 411204698 /nfs/dbraw/zinc/20/46/98/411204698.db2.gz GSXUHWCEVMZHFF-XUXIUFHCSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000656200968 411204701 /nfs/dbraw/zinc/20/47/01/411204701.db2.gz GSXUHWCEVMZHFF-XUXIUFHCSA-N 2 1 239.407 1.719 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000652340983 411206019 /nfs/dbraw/zinc/20/60/19/411206019.db2.gz RPZXHNFUOOJXEH-GFCCVEGCSA-N 2 1 248.374 1.390 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCC(C)(C)C ZINC000652341670 411206991 /nfs/dbraw/zinc/20/69/91/411206991.db2.gz FYOBFTKKOKWMBX-GFCCVEGCSA-N 2 1 216.369 1.325 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652356140 411214819 /nfs/dbraw/zinc/21/48/19/411214819.db2.gz TZPZQYKFJQJFMF-RYUDHWBXSA-N 3 1 213.369 1.045 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652356140 411214822 /nfs/dbraw/zinc/21/48/22/411214822.db2.gz TZPZQYKFJQJFMF-RYUDHWBXSA-N 3 1 213.369 1.045 20 0 BDADMP C[C@@H](O)C[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000653903165 411218995 /nfs/dbraw/zinc/21/89/95/411218995.db2.gz GDQNFQMJJZGVBL-LLVKDONJSA-N 2 1 237.347 1.198 20 0 BDADMP C[C@@H](O)C[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000653903165 411218996 /nfs/dbraw/zinc/21/89/96/411218996.db2.gz GDQNFQMJJZGVBL-LLVKDONJSA-N 2 1 237.347 1.198 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCOCC(F)(F)F ZINC000049312069 411231525 /nfs/dbraw/zinc/23/15/25/411231525.db2.gz YKQOUBQBWBMUKD-UHFFFAOYSA-N 2 1 228.258 1.236 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000215703455 411234557 /nfs/dbraw/zinc/23/45/57/411234557.db2.gz ZLDWMAUSZIMRRX-LBPRGKRZSA-N 2 1 237.347 1.739 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422905650 411234815 /nfs/dbraw/zinc/23/48/15/411234815.db2.gz IMXCFWQGLMOQCP-AGIUHOORSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423173550 411236313 /nfs/dbraw/zinc/23/63/13/411236313.db2.gz ZDKHFHQPVKFAJX-CHWSQXEVSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423173367 411236548 /nfs/dbraw/zinc/23/65/48/411236548.db2.gz YEEMYKQECSWNLP-KGLIPLIRSA-N 3 1 241.423 1.825 20 0 BDADMP Cc1cc(N2CCCC[C@H]2CC[NH3+])nc(C)[nH+]1 ZINC000111375106 411167658 /nfs/dbraw/zinc/16/76/58/411167658.db2.gz QDRVYGDBXNNOAR-LBPRGKRZSA-N 2 1 234.347 1.801 20 0 BDADMP CC1(C)C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000050952744 411269735 /nfs/dbraw/zinc/26/97/35/411269735.db2.gz OKYYWQDUGFJTGZ-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000652558993 411271098 /nfs/dbraw/zinc/27/10/98/411271098.db2.gz IPXTXLOUUJXGHL-LBPRGKRZSA-N 2 1 243.395 1.064 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402606138 411272819 /nfs/dbraw/zinc/27/28/19/411272819.db2.gz ULYMXMXAHZFFPI-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658170237 411280278 /nfs/dbraw/zinc/28/02/78/411280278.db2.gz SXJQCWPLRJPNCF-UMSGYPCISA-N 2 1 226.364 1.484 20 0 BDADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000051889630 411285116 /nfs/dbraw/zinc/28/51/16/411285116.db2.gz VDXNTTATJSUJCG-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000658189990 411285698 /nfs/dbraw/zinc/28/56/98/411285698.db2.gz BAIVNXGAASJQIW-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000401719402 411299103 /nfs/dbraw/zinc/29/91/03/411299103.db2.gz INFAMZNVMVVBPV-QJPTWQEYSA-N 2 1 212.337 1.143 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661764168 411308244 /nfs/dbraw/zinc/30/82/44/411308244.db2.gz AOMLAJRYSOJBCN-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCOC1 ZINC000402782027 411316430 /nfs/dbraw/zinc/31/64/30/411316430.db2.gz OAQHUHWXUPYEMW-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655699438 411249603 /nfs/dbraw/zinc/24/96/03/411249603.db2.gz ADFXKIRPQJSNCR-DYEKYZERSA-N 2 1 238.375 1.485 20 0 BDADMP CCn1cc(C[N@@H+](CCC[NH3+])C(C)C)cn1 ZINC000050539169 411258812 /nfs/dbraw/zinc/25/88/12/411258812.db2.gz AUKNQUYYZNJQIV-UHFFFAOYSA-N 2 1 224.352 1.462 20 0 BDADMP c1c(C[NH2+]C2CCCC2)nnn1-c1cc[nH+]cc1 ZINC000656440910 411259426 /nfs/dbraw/zinc/25/94/26/411259426.db2.gz PIQQAEFECHWBST-UHFFFAOYSA-N 2 1 243.314 1.695 20 0 BDADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCC[NH3+] ZINC000403734697 411357177 /nfs/dbraw/zinc/35/71/77/411357177.db2.gz IIKMAPYMEVWNMT-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403877485 411363021 /nfs/dbraw/zinc/36/30/21/411363021.db2.gz SXXCHGRHIGQUGH-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656785448 411364880 /nfs/dbraw/zinc/36/48/80/411364880.db2.gz HRJGNCRHZDYPMB-UHFFFAOYSA-N 3 1 233.359 1.159 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787052 411366073 /nfs/dbraw/zinc/36/60/73/411366073.db2.gz SFMQTNRGCZTGJP-CYBMUJFWSA-N 3 1 239.407 1.435 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cnc3ccccn23)CCCC1 ZINC000656788466 411367223 /nfs/dbraw/zinc/36/72/23/411367223.db2.gz QGMMIJAZKABVCR-UHFFFAOYSA-N 2 1 244.342 1.695 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000662159701 411368847 /nfs/dbraw/zinc/36/88/47/411368847.db2.gz CWHOVJGRRYYIRN-BFHYXJOUSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000662159701 411368852 /nfs/dbraw/zinc/36/88/52/411368852.db2.gz CWHOVJGRRYYIRN-BFHYXJOUSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000662159701 411368855 /nfs/dbraw/zinc/36/88/55/411368855.db2.gz CWHOVJGRRYYIRN-BFHYXJOUSA-N 2 1 242.407 1.952 20 0 BDADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000662159701 411368859 /nfs/dbraw/zinc/36/88/59/411368859.db2.gz CWHOVJGRRYYIRN-BFHYXJOUSA-N 2 1 242.407 1.952 20 0 BDADMP CCc1nn(C)cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788845 411369225 /nfs/dbraw/zinc/36/92/25/411369225.db2.gz DQILNMMXXQHGGI-UHFFFAOYSA-N 2 1 236.363 1.344 20 0 BDADMP CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655731600 411379027 /nfs/dbraw/zinc/37/90/27/411379027.db2.gz UCYBKVATPCDKAU-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP CC1CCN(C(=[NH2+])NCC[N@H+](C)C2CC2)CC1 ZINC000341632958 168170509 /nfs/dbraw/zinc/17/05/09/168170509.db2.gz NXAIRPJWHYMPJW-UHFFFAOYSA-N 2 1 238.379 1.337 20 0 BDADMP CC1CCN(C(=[NH2+])NCC[N@@H+](C)C2CC2)CC1 ZINC000341632958 168170511 /nfs/dbraw/zinc/17/05/11/168170511.db2.gz NXAIRPJWHYMPJW-UHFFFAOYSA-N 2 1 238.379 1.337 20 0 BDADMP CCc1nnc([C@H](C)[NH+]2CCC(C[NH3+])CC2)[nH]1 ZINC000662234110 411383820 /nfs/dbraw/zinc/38/38/20/411383820.db2.gz IPSNMKSHHYSYIT-VIFPVBQESA-N 2 1 237.351 1.099 20 0 BDADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cnc[nH]1 ZINC000356822156 168301177 /nfs/dbraw/zinc/30/11/77/168301177.db2.gz LYLWNQQZAUVPEC-VIFPVBQESA-N 2 1 238.335 1.193 20 0 BDADMP Cc1[nH+]cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1C ZINC000657313376 411460607 /nfs/dbraw/zinc/46/06/07/411460607.db2.gz KVBSTYIUNZQZFJ-OLZOCXBDSA-N 2 1 248.374 1.445 20 0 BDADMP Cc1[nH+]cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1C ZINC000657313376 411460609 /nfs/dbraw/zinc/46/06/09/411460609.db2.gz KVBSTYIUNZQZFJ-OLZOCXBDSA-N 2 1 248.374 1.445 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000070360485 411408539 /nfs/dbraw/zinc/40/85/39/411408539.db2.gz SRPGDTSUASHCSU-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH3+])CCc2ccccc21 ZINC000404831737 411408883 /nfs/dbraw/zinc/40/88/83/411408883.db2.gz YISMUUCLSIOICD-GFCCVEGCSA-N 2 1 218.344 1.997 20 0 BDADMP CCN(CC[NH3+])Cc1cc(OC)cc(C)[nH+]1 ZINC000125949932 411408916 /nfs/dbraw/zinc/40/89/16/411408916.db2.gz LJQZTHPFCCFZNX-UHFFFAOYSA-N 2 1 223.320 1.179 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000129863951 411409059 /nfs/dbraw/zinc/40/90/59/411409059.db2.gz NFZJKORRLHCAFE-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn[nH]c2)C1 ZINC000657182815 411416579 /nfs/dbraw/zinc/41/65/79/411416579.db2.gz ATPHHTVWJXXHRX-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CSC2)C1 ZINC000657182663 411416861 /nfs/dbraw/zinc/41/68/61/411416861.db2.gz JHQKYSYMGCLYDW-JTQLQIEISA-N 2 1 214.378 1.423 20 0 BDADMP CCO[C@@H]1C[N@@H+]([C@@H](C)c2ccccn2)C[C@H]1C[NH3+] ZINC000405269734 411422581 /nfs/dbraw/zinc/42/25/81/411422581.db2.gz UIUHBBJFCYJTNU-OUCADQQQSA-N 2 1 249.358 1.438 20 0 BDADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2ccccn2)C[C@H]1C[NH3+] ZINC000405269734 411422583 /nfs/dbraw/zinc/42/25/83/411422583.db2.gz UIUHBBJFCYJTNU-OUCADQQQSA-N 2 1 249.358 1.438 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C(C)C)C(C)C ZINC000653608942 411433266 /nfs/dbraw/zinc/43/32/66/411433266.db2.gz OZRLSHGUMPYNAJ-LBPRGKRZSA-N 2 1 230.396 1.569 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)(F)C2)CC[NH2+]1 ZINC000414755976 411443016 /nfs/dbraw/zinc/44/30/16/411443016.db2.gz IOJNFKVTLXEEGS-WOPDTQHZSA-N 2 1 214.328 1.808 20 0 BDADMP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000415089066 411491640 /nfs/dbraw/zinc/49/16/40/411491640.db2.gz XFSZGWLHNFXAEZ-RWMBFGLXSA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](C)CC1 ZINC000655839444 411533848 /nfs/dbraw/zinc/53/38/48/411533848.db2.gz VWLICIYMDMQEGJ-LBPRGKRZSA-N 2 1 233.359 1.696 20 0 BDADMP Cn1ncc(C2CC2)c1C[NH2+]CCC[NH+]1CCC1 ZINC000657422874 411502946 /nfs/dbraw/zinc/50/29/46/411502946.db2.gz COWVECUATQOLMV-UHFFFAOYSA-N 2 1 248.374 1.483 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CO1 ZINC000657427391 411503626 /nfs/dbraw/zinc/50/36/26/411503626.db2.gz MXPKQVXYEYEVGF-CHWSQXEVSA-N 2 1 224.348 1.405 20 0 BDADMP COCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000655817699 411527935 /nfs/dbraw/zinc/52/79/35/411527935.db2.gz ODAFBAYGPCGBAQ-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336707060 170007708 /nfs/dbraw/zinc/00/77/08/170007708.db2.gz RPRVFHYHXXNLFY-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000339281305 170008353 /nfs/dbraw/zinc/00/83/53/170008353.db2.gz TYCBQGPSEAZZKU-LBPRGKRZSA-N 2 1 234.347 1.216 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000339281305 170008354 /nfs/dbraw/zinc/00/83/54/170008354.db2.gz TYCBQGPSEAZZKU-LBPRGKRZSA-N 2 1 234.347 1.216 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccncc2C)C1 ZINC000296226892 170017344 /nfs/dbraw/zinc/01/73/44/170017344.db2.gz CCKRUXKDIKBHTO-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)O)[C@H](C)C1 ZINC000336693996 170018941 /nfs/dbraw/zinc/01/89/41/170018941.db2.gz SYKDGORQPBJIEC-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)O)[C@H](C)C1 ZINC000336693996 170018943 /nfs/dbraw/zinc/01/89/43/170018943.db2.gz SYKDGORQPBJIEC-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)O)[C@H](C)C1 ZINC000336693996 170018944 /nfs/dbraw/zinc/01/89/44/170018944.db2.gz SYKDGORQPBJIEC-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)OC)C[C@H]1C ZINC000336673351 170019050 /nfs/dbraw/zinc/01/90/50/170019050.db2.gz KQHVNGLAHBKBSI-AGIUHOORSA-N 2 1 228.380 1.826 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)OC)C[C@H]1C ZINC000336673351 170019051 /nfs/dbraw/zinc/01/90/51/170019051.db2.gz KQHVNGLAHBKBSI-AGIUHOORSA-N 2 1 228.380 1.826 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)OC)C[C@H]1C ZINC000336673351 170019053 /nfs/dbraw/zinc/01/90/53/170019053.db2.gz KQHVNGLAHBKBSI-AGIUHOORSA-N 2 1 228.380 1.826 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)O)C[C@@H]1C ZINC000360453864 170019897 /nfs/dbraw/zinc/01/98/97/170019897.db2.gz GWXFADIKJIWVRU-STQMWFEESA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)O)C[C@@H]1C ZINC000360453864 170019899 /nfs/dbraw/zinc/01/98/99/170019899.db2.gz GWXFADIKJIWVRU-STQMWFEESA-N 2 1 242.407 1.952 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)O)C[C@@H]1C ZINC000360453864 170019901 /nfs/dbraw/zinc/01/99/01/170019901.db2.gz GWXFADIKJIWVRU-STQMWFEESA-N 2 1 242.407 1.952 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000336885760 170021859 /nfs/dbraw/zinc/02/18/59/170021859.db2.gz AWSZURGFQSPAHL-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000336885760 170021861 /nfs/dbraw/zinc/02/18/61/170021861.db2.gz AWSZURGFQSPAHL-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000336885760 170021862 /nfs/dbraw/zinc/02/18/62/170021862.db2.gz AWSZURGFQSPAHL-AGIUHOORSA-N 2 1 225.380 1.010 20 0 BDADMP C[NH+]1CCC(NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000657523960 411540480 /nfs/dbraw/zinc/54/04/80/411540480.db2.gz MMCJZPOTIHPLQN-ZDUSSCGKSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)CC[NH+](C)C)C1 ZINC000309958788 170039264 /nfs/dbraw/zinc/03/92/64/170039264.db2.gz JYJUHKZTQMTMRO-YNEHKIRRSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000113656025 170111595 /nfs/dbraw/zinc/11/15/95/170111595.db2.gz SKQFUKZJQRMHMG-UHFFFAOYSA-N 2 1 238.335 1.200 20 0 BDADMP CCOCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000121037108 170370507 /nfs/dbraw/zinc/37/05/07/170370507.db2.gz WYMZCKPLFQKSRX-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000121037108 170370509 /nfs/dbraw/zinc/37/05/09/170370509.db2.gz WYMZCKPLFQKSRX-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000121037108 170370510 /nfs/dbraw/zinc/37/05/10/170370510.db2.gz WYMZCKPLFQKSRX-ZDUSSCGKSA-N 2 1 228.380 1.687 20 0 BDADMP CCOCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336673582 170370517 /nfs/dbraw/zinc/37/05/17/170370517.db2.gz KWZIVJMCOWMPBL-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336673582 170370518 /nfs/dbraw/zinc/37/05/18/170370518.db2.gz KWZIVJMCOWMPBL-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336673582 170370520 /nfs/dbraw/zinc/37/05/20/170370520.db2.gz KWZIVJMCOWMPBL-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336673582 170370522 /nfs/dbraw/zinc/37/05/22/170370522.db2.gz KWZIVJMCOWMPBL-QWHCGFSZSA-N 2 1 228.380 1.828 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345874 411634086 /nfs/dbraw/zinc/63/40/86/411634086.db2.gz NDQPFBGKYNVRGH-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657167 411614498 /nfs/dbraw/zinc/61/44/98/411614498.db2.gz OCFFLGQCTSENAS-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657167 411614499 /nfs/dbraw/zinc/61/44/99/411614499.db2.gz OCFFLGQCTSENAS-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657167 411614500 /nfs/dbraw/zinc/61/45/00/411614500.db2.gz OCFFLGQCTSENAS-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660019 411614511 /nfs/dbraw/zinc/61/45/11/411614511.db2.gz SLEBMCJAUFAYRZ-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660019 411614512 /nfs/dbraw/zinc/61/45/12/411614512.db2.gz SLEBMCJAUFAYRZ-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660019 411614513 /nfs/dbraw/zinc/61/45/13/411614513.db2.gz SLEBMCJAUFAYRZ-CHWSQXEVSA-N 2 1 226.364 1.175 20 0 BDADMP Cc1noc(C)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663497658 411679907 /nfs/dbraw/zinc/67/99/07/411679907.db2.gz DSZFNCNPSWRFPI-GFCCVEGCSA-N 2 1 225.336 1.754 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000663509844 411692061 /nfs/dbraw/zinc/69/20/61/411692061.db2.gz AVCNGFLQIIGLSB-LBPRGKRZSA-N 2 1 248.370 1.752 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC1CCOCC1 ZINC000663512096 411694667 /nfs/dbraw/zinc/69/46/67/411694667.db2.gz FHYDBRYJKDZTPR-QWRGUYRKSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000663514984 411696994 /nfs/dbraw/zinc/69/69/94/411696994.db2.gz XNXORRSOQZLVOE-QWRGUYRKSA-N 2 1 224.323 1.954 20 0 BDADMP c1cc2c(cc[nH+]c2N2CC[N@H+]3CCC[C@@H]3C2)[nH]1 ZINC000663567340 411701385 /nfs/dbraw/zinc/70/13/85/411701385.db2.gz XXZGPTVQZKIVDJ-LLVKDONJSA-N 2 1 242.326 1.847 20 0 BDADMP CN(CC[C@@H]1CCC[N@H+]1C)CC1=CCCOC1 ZINC000661653513 411830546 /nfs/dbraw/zinc/83/05/46/411830546.db2.gz LBPXSGJIBJUTLQ-AWEZNQCLSA-N 2 1 238.375 1.749 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1=CCCOC1 ZINC000661653513 411830549 /nfs/dbraw/zinc/83/05/49/411830549.db2.gz LBPXSGJIBJUTLQ-AWEZNQCLSA-N 2 1 238.375 1.749 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1=CCCOC1 ZINC000661653513 411830552 /nfs/dbraw/zinc/83/05/52/411830552.db2.gz LBPXSGJIBJUTLQ-AWEZNQCLSA-N 2 1 238.375 1.749 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1=CCCOC1 ZINC000661653513 411830555 /nfs/dbraw/zinc/83/05/55/411830555.db2.gz LBPXSGJIBJUTLQ-AWEZNQCLSA-N 2 1 238.375 1.749 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1=CCCOC1 ZINC000661653513 411830559 /nfs/dbraw/zinc/83/05/59/411830559.db2.gz LBPXSGJIBJUTLQ-AWEZNQCLSA-N 2 1 238.375 1.749 20 0 BDADMP CN(CC1C[NH+](C)C1)c1cc[nH+]cc1Cl ZINC000664328328 411923238 /nfs/dbraw/zinc/92/32/38/411923238.db2.gz AXZRRQYEBKGKGF-UHFFFAOYSA-N 2 1 225.723 1.733 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766687 411879061 /nfs/dbraw/zinc/87/90/61/411879061.db2.gz DZDUSAYWAVOYGH-WCQYABFASA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766687 411879063 /nfs/dbraw/zinc/87/90/63/411879063.db2.gz DZDUSAYWAVOYGH-WCQYABFASA-N 2 1 237.347 1.427 20 0 BDADMP CCC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151736 412008533 /nfs/dbraw/zinc/00/85/33/412008533.db2.gz JWZXLWYWXYJAMT-TZMCWYRMSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)C[NH2+]C ZINC000664719417 412014318 /nfs/dbraw/zinc/01/43/18/412014318.db2.gz RAYMJQDAHMAPMN-LLVKDONJSA-N 2 1 243.395 1.079 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H](OC)C2CCC2)CC[C@@H]1[NH3+] ZINC000662270441 412059527 /nfs/dbraw/zinc/05/95/27/412059527.db2.gz KTWIITSETNQHAL-XBFCOCLRSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662243931 412039683 /nfs/dbraw/zinc/03/96/83/412039683.db2.gz DINHJWUPBZSFKB-HBNTYKKESA-N 2 1 248.317 1.470 20 0 BDADMP CO[C@@H](C[N@H+](C)[C@H](C)CN)C1CCC1 ZINC000662244982 412042082 /nfs/dbraw/zinc/04/20/82/412042082.db2.gz QTJDAZSSBXEACN-KOLCDFICSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@@H](C[N@@H+](C)[C@H](C)CN)C1CCC1 ZINC000662244982 412042083 /nfs/dbraw/zinc/04/20/83/412042083.db2.gz QTJDAZSSBXEACN-KOLCDFICSA-N 2 1 200.326 1.081 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cccc2c1CC[NH2+]C2 ZINC000662247413 412045006 /nfs/dbraw/zinc/04/50/06/412045006.db2.gz XUMSJBABCGRYQL-UHFFFAOYSA-N 2 1 233.359 1.113 20 0 BDADMP CN(CCC[NH3+])Cc1cccc2c1CC[NH2+]C2 ZINC000662247413 412045009 /nfs/dbraw/zinc/04/50/09/412045009.db2.gz XUMSJBABCGRYQL-UHFFFAOYSA-N 2 1 233.359 1.113 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662259152 412052958 /nfs/dbraw/zinc/05/29/58/412052958.db2.gz RBOKMRDZMSYQNP-GRYCIOLGSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCO[C@H]1CC1(F)F ZINC000662264322 412056246 /nfs/dbraw/zinc/05/62/46/412056246.db2.gz ILDVDOVSIWGQNW-BBBLOLIVSA-N 2 1 234.290 1.080 20 0 BDADMP CCC[N@H+](Cc1cc(C)ncn1)C1CC[NH2+]CC1 ZINC000662263524 412056828 /nfs/dbraw/zinc/05/68/28/412056828.db2.gz MRFTYCKFMPQVDL-UHFFFAOYSA-N 2 1 248.374 1.749 20 0 BDADMP CCC[N@@H+](Cc1cc(C)ncn1)C1CC[NH2+]CC1 ZINC000662263524 412056831 /nfs/dbraw/zinc/05/68/31/412056831.db2.gz MRFTYCKFMPQVDL-UHFFFAOYSA-N 2 1 248.374 1.749 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662280643 412071595 /nfs/dbraw/zinc/07/15/95/412071595.db2.gz GICATWRMXKUEMM-UHFFFAOYSA-N 3 1 247.386 1.374 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)CCCO1 ZINC000300862122 171084102 /nfs/dbraw/zinc/08/41/02/171084102.db2.gz IYFHVSZFYGQJAD-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)CCCO1 ZINC000300862122 171084105 /nfs/dbraw/zinc/08/41/05/171084105.db2.gz IYFHVSZFYGQJAD-QWHCGFSZSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000310523223 171117335 /nfs/dbraw/zinc/11/73/35/171117335.db2.gz VEMJETIDHNIXOD-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310523223 171117337 /nfs/dbraw/zinc/11/73/37/171117337.db2.gz VEMJETIDHNIXOD-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310523223 171117340 /nfs/dbraw/zinc/11/73/40/171117340.db2.gz VEMJETIDHNIXOD-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310523223 171117342 /nfs/dbraw/zinc/11/73/42/171117342.db2.gz VEMJETIDHNIXOD-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310523223 171117343 /nfs/dbraw/zinc/11/73/43/171117343.db2.gz VEMJETIDHNIXOD-YRGRVCCFSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351602510 171155725 /nfs/dbraw/zinc/15/57/25/171155725.db2.gz ILGPIEJEGVUMCN-IACUBPJLSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351602510 171155726 /nfs/dbraw/zinc/15/57/26/171155726.db2.gz ILGPIEJEGVUMCN-IACUBPJLSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351602510 171155728 /nfs/dbraw/zinc/15/57/28/171155728.db2.gz ILGPIEJEGVUMCN-IACUBPJLSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351602510 171155729 /nfs/dbraw/zinc/15/57/29/171155729.db2.gz ILGPIEJEGVUMCN-IACUBPJLSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCO[C@@H]1CC1(F)F ZINC000662277910 412070546 /nfs/dbraw/zinc/07/05/46/412070546.db2.gz TWUKGNZEIPJMCX-RKDXNWHRSA-N 2 1 236.306 1.374 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662280643 412071593 /nfs/dbraw/zinc/07/15/93/412071593.db2.gz GICATWRMXKUEMM-UHFFFAOYSA-N 3 1 247.386 1.374 20 0 BDADMP CC[C@@]1(C)COCCN1CC[C@@H]1CCC[N@H+]1C ZINC000336717593 171204053 /nfs/dbraw/zinc/20/40/53/171204053.db2.gz WLUQYNYTNDAWJK-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662282241 412072305 /nfs/dbraw/zinc/07/23/05/412072305.db2.gz OAWPCGJAIZOSFB-RWMBFGLXSA-N 2 1 238.375 1.628 20 0 BDADMP CCc1ccccc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283311 412075999 /nfs/dbraw/zinc/07/59/99/412075999.db2.gz HKEDRNJDGSPLLY-UHFFFAOYSA-N 2 1 248.370 1.453 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662302862 412084216 /nfs/dbraw/zinc/08/42/16/412084216.db2.gz OOXGVBJLEGGRDF-UPJWGTAASA-N 2 1 226.364 1.079 20 0 BDADMP CC[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124479303 171340150 /nfs/dbraw/zinc/34/01/50/171340150.db2.gz RYRPLDXNMFBOHJ-ZDUSSCGKSA-N 2 1 241.423 1.648 20 0 BDADMP CC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000310011122 171340205 /nfs/dbraw/zinc/34/02/05/171340205.db2.gz IPBZYIDMVZDTHL-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000310011122 171340207 /nfs/dbraw/zinc/34/02/07/171340207.db2.gz IPBZYIDMVZDTHL-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@@H](N)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294690 412080922 /nfs/dbraw/zinc/08/09/22/412080922.db2.gz RVWOFMLASURNBT-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]([NH3+])CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294690 412080925 /nfs/dbraw/zinc/08/09/25/412080925.db2.gz RVWOFMLASURNBT-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000662299296 412086602 /nfs/dbraw/zinc/08/66/02/412086602.db2.gz NNGNZONXFJQWAG-OAHLLOKOSA-N 2 1 248.370 1.324 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccc(C)cc2C1 ZINC000662299296 412086604 /nfs/dbraw/zinc/08/66/04/412086604.db2.gz NNGNZONXFJQWAG-OAHLLOKOSA-N 2 1 248.370 1.324 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000662303109 412086768 /nfs/dbraw/zinc/08/67/68/412086768.db2.gz SPXMLBWJDPVAKO-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP Cc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000662299070 412087434 /nfs/dbraw/zinc/08/74/34/412087434.db2.gz JSPCUELDINTLIL-ZDUSSCGKSA-N 2 1 230.355 1.963 20 0 BDADMP CO[C@@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C1CCC1 ZINC000662307207 412093066 /nfs/dbraw/zinc/09/30/66/412093066.db2.gz WXBRYBQECHVPIE-YDGIUTOCSA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@@H](C[N@H+]1CC2CC1(C[NH3+])C2)C1CCC1 ZINC000662307207 412093067 /nfs/dbraw/zinc/09/30/67/412093067.db2.gz WXBRYBQECHVPIE-YDGIUTOCSA-N 2 1 224.348 1.225 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000662312533 412094553 /nfs/dbraw/zinc/09/45/53/412094553.db2.gz HQUNDULDBXLKRD-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317113 412094583 /nfs/dbraw/zinc/09/45/83/412094583.db2.gz ZQIDPSZHPROIAC-CHWSQXEVSA-N 2 1 228.380 1.862 20 0 BDADMP C(C[N@H+]1CC[C@H]2COC[C@H]2C1)C1CC[NH2+]CC1 ZINC000662317420 412097804 /nfs/dbraw/zinc/09/78/04/412097804.db2.gz OVJQMGNGAFCAOC-UONOGXRCSA-N 2 1 238.375 1.344 20 0 BDADMP C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000662317418 412098162 /nfs/dbraw/zinc/09/81/62/412098162.db2.gz OVJQMGNGAFCAOC-KBPBESRZSA-N 2 1 238.375 1.344 20 0 BDADMP CC(C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319927 412101255 /nfs/dbraw/zinc/10/12/55/412101255.db2.gz QSWXCPJDBLBMOX-GFCCVEGCSA-N 2 1 214.353 1.437 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662331615 412104282 /nfs/dbraw/zinc/10/42/82/412104282.db2.gz OIWXLXVEWLWTNK-NEPJUHHUSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+](CC1=CCSC1)C[C@H]1CC[NH2+]C1 ZINC000662327718 412105101 /nfs/dbraw/zinc/10/51/01/412105101.db2.gz UHIYGSYIWLOEPN-JTQLQIEISA-N 2 1 212.362 1.201 20 0 BDADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C/C=C/CO ZINC000665239675 412181245 /nfs/dbraw/zinc/18/12/45/412181245.db2.gz XFSATLMIAMLKSX-GSKXSAQWSA-N 2 1 234.343 1.083 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000665242925 412187658 /nfs/dbraw/zinc/18/76/58/412187658.db2.gz OVGQLVPDYDSWTL-AXFHLTTASA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@H]([NH2+]CCc1ccoc1)[C@@H]1CCC[NH2+]1 ZINC000665263382 412205864 /nfs/dbraw/zinc/20/58/64/412205864.db2.gz LNHSBWJGUOZRGB-STQMWFEESA-N 2 1 222.332 1.942 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000665265683 412208697 /nfs/dbraw/zinc/20/86/97/412208697.db2.gz ZGYDEYNYGUZCJT-UTLUCORTSA-N 2 1 218.291 1.619 20 0 BDADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000665265529 412209339 /nfs/dbraw/zinc/20/93/39/412209339.db2.gz XMJLQZLSIKMPNV-LBPRGKRZSA-N 2 1 248.374 1.529 20 0 BDADMP C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CCC[NH2+]1 ZINC000665267533 412210568 /nfs/dbraw/zinc/21/05/68/412210568.db2.gz YHCSJAFZUZNDNX-OPRDCNLKSA-N 2 1 218.291 1.762 20 0 BDADMP Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000665232475 412169547 /nfs/dbraw/zinc/16/95/47/412169547.db2.gz NOISSLRWLYRPEE-VXGBXAGGSA-N 2 1 205.305 1.238 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232458 412169826 /nfs/dbraw/zinc/16/98/26/412169826.db2.gz NCNVUKMVSIXTQA-SGMGOOAPSA-N 2 1 233.359 1.915 20 0 BDADMP Nc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000665232472 412170920 /nfs/dbraw/zinc/17/09/20/412170920.db2.gz NOISSLRWLYRPEE-NEPJUHHUSA-N 2 1 205.305 1.238 20 0 BDADMP Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000665233327 412171649 /nfs/dbraw/zinc/17/16/49/412171649.db2.gz DYIXRFMQGHXLDD-CABCVRRESA-N 2 1 245.370 1.985 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCCC[NH2+]1 ZINC000422748017 412172775 /nfs/dbraw/zinc/17/27/75/412172775.db2.gz RPHYXNVEKUBAFK-VEGXAWMVSA-N 2 1 224.348 1.427 20 0 BDADMP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000665276105 412216652 /nfs/dbraw/zinc/21/66/52/412216652.db2.gz YLLVSYYIUMVANU-YUTCNCBUSA-N 2 1 240.391 1.922 20 0 BDADMP Cc1cncc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000665274103 412217029 /nfs/dbraw/zinc/21/70/29/412217029.db2.gz JYVGDIATXGDXRF-AAEUAGOBSA-N 2 1 234.347 1.058 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000665295888 412234072 /nfs/dbraw/zinc/23/40/72/412234072.db2.gz LAOOCQUJQLEJMP-QCNOEVLYSA-N 2 1 226.364 1.388 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000126963916 172167502 /nfs/dbraw/zinc/16/75/02/172167502.db2.gz GDPNKRQUGJPDFD-WDEREUQCSA-N 2 1 222.336 1.072 20 0 BDADMP CCn1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000044500612 172195144 /nfs/dbraw/zinc/19/51/44/172195144.db2.gz BOPNHTQQCWPNCK-NWDGAFQWSA-N 2 1 238.379 1.894 20 0 BDADMP C[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000037887375 172992672 /nfs/dbraw/zinc/99/26/72/172992672.db2.gz JQDIPOYMSZCPAQ-UHFFFAOYSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+](CCO)CC1CC1 ZINC000352492603 173006887 /nfs/dbraw/zinc/00/68/87/173006887.db2.gz ZZVPDMQRQXCCNK-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+](CCO)CC1CC1 ZINC000352492603 173006889 /nfs/dbraw/zinc/00/68/89/173006889.db2.gz ZZVPDMQRQXCCNK-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+](CCO)CC1CC1 ZINC000352492603 173006891 /nfs/dbraw/zinc/00/68/91/173006891.db2.gz ZZVPDMQRQXCCNK-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(CO)CCCC1 ZINC000309599330 173029141 /nfs/dbraw/zinc/02/91/41/173029141.db2.gz XFCSXOLUHVDJKP-GFCCVEGCSA-N 2 1 226.364 1.365 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000044535188 173041103 /nfs/dbraw/zinc/04/11/03/173041103.db2.gz FBGWNLBEMNYRJO-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000044533415 173042266 /nfs/dbraw/zinc/04/22/66/173042266.db2.gz PWYHPMKGXGSZBP-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CO ZINC000119138135 173050520 /nfs/dbraw/zinc/05/05/20/173050520.db2.gz JIMIIOMNKFYVJP-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CO ZINC000119138135 173050522 /nfs/dbraw/zinc/05/05/22/173050522.db2.gz JIMIIOMNKFYVJP-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CO ZINC000119138135 173050525 /nfs/dbraw/zinc/05/05/25/173050525.db2.gz JIMIIOMNKFYVJP-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CO ZINC000336698534 173051109 /nfs/dbraw/zinc/05/11/09/173051109.db2.gz JIMIIOMNKFYVJP-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1CO ZINC000336698534 173051110 /nfs/dbraw/zinc/05/11/10/173051110.db2.gz JIMIIOMNKFYVJP-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1CO ZINC000336698534 173051112 /nfs/dbraw/zinc/05/11/12/173051112.db2.gz JIMIIOMNKFYVJP-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCOCC1 ZINC000336553356 173051779 /nfs/dbraw/zinc/05/17/79/173051779.db2.gz XKQNQIDKSKGZCK-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCOCC1 ZINC000336553356 173051780 /nfs/dbraw/zinc/05/17/80/173051780.db2.gz XKQNQIDKSKGZCK-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCOCC1 ZINC000336553356 173051781 /nfs/dbraw/zinc/05/17/81/173051781.db2.gz XKQNQIDKSKGZCK-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCOCC1 ZINC000336553356 173051782 /nfs/dbraw/zinc/05/17/82/173051782.db2.gz XKQNQIDKSKGZCK-LBPRGKRZSA-N 2 1 212.337 1.193 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)[C@H]2CCC[C@H]21 ZINC000368617011 173152038 /nfs/dbraw/zinc/15/20/38/173152038.db2.gz VUAVEKQNAIITDW-FRRDWIJNSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@H]2CCC[C@@H]21 ZINC000309485091 173153397 /nfs/dbraw/zinc/15/33/97/173153397.db2.gz VDIYMHOJTQHRFZ-WOPDTQHZSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2)[C@H]2CCC[C@H]21 ZINC000353393274 173153565 /nfs/dbraw/zinc/15/35/65/173153565.db2.gz IMXIESDUTQLIEH-RFQIPJPRSA-N 2 1 238.375 1.485 20 0 BDADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000353401923 173155002 /nfs/dbraw/zinc/15/50/02/173155002.db2.gz IYQCVPNVWZMWSP-MELADBBJSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353504740 173155307 /nfs/dbraw/zinc/15/53/07/173155307.db2.gz SSZNOEDJKQQGDC-RWMBFGLXSA-N 2 1 248.374 1.383 20 0 BDADMP Cn1ccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353504740 173155309 /nfs/dbraw/zinc/15/53/09/173155309.db2.gz SSZNOEDJKQQGDC-RWMBFGLXSA-N 2 1 248.374 1.383 20 0 BDADMP COc1cccnc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248676 322930643 /nfs/dbraw/zinc/93/06/43/322930643.db2.gz XTMXTIYTHQMYCN-MNOVXSKESA-N 2 1 235.331 1.450 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000070190024 173343414 /nfs/dbraw/zinc/34/34/14/173343414.db2.gz POTSNHXQVITMDR-UHFFFAOYSA-N 2 1 238.335 1.200 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000124929468 173345736 /nfs/dbraw/zinc/34/57/36/173345736.db2.gz CLBAJXCBPHDGIG-UHFFFAOYSA-N 2 1 249.358 1.557 20 0 BDADMP C[NH2+]CCC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000336741687 173347133 /nfs/dbraw/zinc/34/71/33/173347133.db2.gz WABYANFHMUJVSA-LLVKDONJSA-N 2 1 202.342 1.341 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccc(OC)cc1F ZINC000083354775 173349837 /nfs/dbraw/zinc/34/98/37/173349837.db2.gz HYPSACPVVQMDON-UHFFFAOYSA-N 2 1 226.295 1.533 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000040592247 173367882 /nfs/dbraw/zinc/36/78/82/173367882.db2.gz DBZXKYGMDKUICI-ZDUSSCGKSA-N 2 1 234.343 1.824 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000040592247 173367884 /nfs/dbraw/zinc/36/78/84/173367884.db2.gz DBZXKYGMDKUICI-ZDUSSCGKSA-N 2 1 234.343 1.824 20 0 BDADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000336724589 174105352 /nfs/dbraw/zinc/10/53/52/174105352.db2.gz UQMYYHYCEIGENW-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308803250 174194405 /nfs/dbraw/zinc/19/44/05/174194405.db2.gz ACJQSOBMDHXOIT-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COCCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000338026853 174260538 /nfs/dbraw/zinc/26/05/38/174260538.db2.gz KVWLRRGGWPCTKV-GFCCVEGCSA-N 2 1 239.363 1.986 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336772054 174264812 /nfs/dbraw/zinc/26/48/12/174264812.db2.gz VBRBIDSSSSWJTI-XQQFMLRXSA-N 2 1 228.380 1.874 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336772054 174264813 /nfs/dbraw/zinc/26/48/13/174264813.db2.gz VBRBIDSSSSWJTI-XQQFMLRXSA-N 2 1 228.380 1.874 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336772052 174265042 /nfs/dbraw/zinc/26/50/42/174265042.db2.gz VBRBIDSSSSWJTI-AVGNSLFASA-N 2 1 228.380 1.874 20 0 BDADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336772052 174265044 /nfs/dbraw/zinc/26/50/44/174265044.db2.gz VBRBIDSSSSWJTI-AVGNSLFASA-N 2 1 228.380 1.874 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336778276 174275439 /nfs/dbraw/zinc/27/54/39/174275439.db2.gz KXPJTFWTUYGRGX-FRRDWIJNSA-N 2 1 228.380 1.589 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)OC ZINC000340469769 174276214 /nfs/dbraw/zinc/27/62/14/174276214.db2.gz LJLFIIDRJQQZDQ-GFCCVEGCSA-N 2 1 246.395 1.358 20 0 BDADMP COCC[NH+]1CCC([NH2+]CCC2(C)CC2)CC1 ZINC000355165509 174304404 /nfs/dbraw/zinc/30/44/04/174304404.db2.gz ZVOBFBLPALTSEV-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP COC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336718970 174448579 /nfs/dbraw/zinc/44/85/79/174448579.db2.gz NITBSALQZXBZIG-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP COc1ccc(CC[N@@H+](C)CCC[NH3+])cc1 ZINC000049819003 175089629 /nfs/dbraw/zinc/08/96/29/175089629.db2.gz OMVNYIICFWOSCD-UHFFFAOYSA-N 2 1 222.332 1.518 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000050247420 175102209 /nfs/dbraw/zinc/10/22/09/175102209.db2.gz FAFYWFRUBXGWLW-NSHDSACASA-N 2 1 238.306 1.615 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000050247420 175102211 /nfs/dbraw/zinc/10/22/11/175102211.db2.gz FAFYWFRUBXGWLW-NSHDSACASA-N 2 1 238.306 1.615 20 0 BDADMP COc1ccccc1C[C@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC000127885024 175333138 /nfs/dbraw/zinc/33/31/38/175333138.db2.gz DHHFMQBKFHOLRR-RYUDHWBXSA-N 2 1 236.359 1.905 20 0 BDADMP COc1ccccc1C[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC000127885024 175333141 /nfs/dbraw/zinc/33/31/41/175333141.db2.gz DHHFMQBKFHOLRR-RYUDHWBXSA-N 2 1 236.359 1.905 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000309754914 176051149 /nfs/dbraw/zinc/05/11/49/176051149.db2.gz HJOUUWQUQNLYDD-WOPDTQHZSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000309754912 176052626 /nfs/dbraw/zinc/05/26/26/176052626.db2.gz HJOUUWQUQNLYDD-IJLUTSLNSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358174744 176076743 /nfs/dbraw/zinc/07/67/43/176076743.db2.gz ZBIRGBUPBVPWDR-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358174744 176076749 /nfs/dbraw/zinc/07/67/49/176076749.db2.gz ZBIRGBUPBVPWDR-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000042610965 176078704 /nfs/dbraw/zinc/07/87/04/176078704.db2.gz POBIOXPYGQSZDP-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1CO ZINC000305705669 176098320 /nfs/dbraw/zinc/09/83/20/176098320.db2.gz YEKXBHLNCLOALY-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]1CO ZINC000305705669 176098321 /nfs/dbraw/zinc/09/83/21/176098321.db2.gz YEKXBHLNCLOALY-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]1CO ZINC000305705669 176098322 /nfs/dbraw/zinc/09/83/22/176098322.db2.gz YEKXBHLNCLOALY-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000228998836 176117851 /nfs/dbraw/zinc/11/78/51/176117851.db2.gz DLNOHWQLVPKSQA-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000228998836 176117852 /nfs/dbraw/zinc/11/78/52/176117852.db2.gz DLNOHWQLVPKSQA-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](C)CC2)O1 ZINC000148473538 176227320 /nfs/dbraw/zinc/22/73/20/176227320.db2.gz CSPIOLJWHZABTK-ZYHUDNBSSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000361526003 176268383 /nfs/dbraw/zinc/26/83/83/176268383.db2.gz OTHKSSYUBNBKJQ-UPJWGTAASA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000336766799 176269938 /nfs/dbraw/zinc/26/99/38/176269938.db2.gz SKVLUSJYJXZTEM-KKOKHZNYSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000336766799 176269939 /nfs/dbraw/zinc/26/99/39/176269939.db2.gz SKVLUSJYJXZTEM-KKOKHZNYSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000336766804 176270055 /nfs/dbraw/zinc/27/00/55/176270055.db2.gz SKVLUSJYJXZTEM-WYUUTHIRSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000336766804 176270056 /nfs/dbraw/zinc/27/00/56/176270056.db2.gz SKVLUSJYJXZTEM-WYUUTHIRSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000336777255 176270352 /nfs/dbraw/zinc/27/03/52/176270352.db2.gz HUUICFRUQUERKZ-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](C1CC1)[NH+](C)C ZINC000360417904 176270521 /nfs/dbraw/zinc/27/05/21/176270521.db2.gz VWHCZMKWABGXSK-BNOWGMLFSA-N 2 1 239.407 1.256 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCF ZINC000336685822 176270712 /nfs/dbraw/zinc/27/07/12/176270712.db2.gz LDERBPSCLZKDIB-GHMZBOCLSA-N 2 1 202.317 1.666 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000309829444 176271001 /nfs/dbraw/zinc/27/10/01/176271001.db2.gz YDRFRUJSRMMOSU-RTXFEEFZSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOC(F)F ZINC000309806506 176271065 /nfs/dbraw/zinc/27/10/65/176271065.db2.gz SGPUECNGKOBGKM-NXEZZACHSA-N 2 1 236.306 1.546 20 0 BDADMP C[C@@H]1C[N@@H+](CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000063100420 176286868 /nfs/dbraw/zinc/28/68/68/176286868.db2.gz JMKAUDXXLNLCGM-SFYZADRCSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000158511500 176277981 /nfs/dbraw/zinc/27/79/81/176277981.db2.gz ZFCBOZLCYLJTHN-BZPMIXESSA-N 2 1 235.375 1.843 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000305159225 176278112 /nfs/dbraw/zinc/27/81/12/176278112.db2.gz WOIXXHIVVGLFBR-NDBYEHHHSA-N 2 1 242.407 1.712 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000036907809 176278629 /nfs/dbraw/zinc/27/86/29/176278629.db2.gz UWRPUIFLBSUQPP-AYZDXNEBSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H]1C[N@H+](CCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000063100420 176286867 /nfs/dbraw/zinc/28/68/67/176286867.db2.gz JMKAUDXXLNLCGM-SFYZADRCSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C(C)(C)C1 ZINC000335664914 176290446 /nfs/dbraw/zinc/29/04/46/176290446.db2.gz YJQSGKLKLQAZFY-LBPRGKRZSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCF ZINC000368417108 176297630 /nfs/dbraw/zinc/29/76/30/176297630.db2.gz PHODJLYRUDNCDV-AGIUHOORSA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCF ZINC000368417108 176297631 /nfs/dbraw/zinc/29/76/31/176297631.db2.gz PHODJLYRUDNCDV-AGIUHOORSA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000309499022 176298730 /nfs/dbraw/zinc/29/87/30/176298730.db2.gz ZTCUBJZHIQNHBI-NQBHXWOUSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000309499022 176298732 /nfs/dbraw/zinc/29/87/32/176298732.db2.gz ZTCUBJZHIQNHBI-NQBHXWOUSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000062912201 176302346 /nfs/dbraw/zinc/30/23/46/176302346.db2.gz KHKQWDAJWJKMMI-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000062912201 176302348 /nfs/dbraw/zinc/30/23/48/176302348.db2.gz KHKQWDAJWJKMMI-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304370210 176354216 /nfs/dbraw/zinc/35/42/16/176354216.db2.gz FVGHEBHJPFAQHY-LPWJVIDDSA-N 2 1 240.416 1.954 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000216070151 176367897 /nfs/dbraw/zinc/36/78/97/176367897.db2.gz LBUWMSSAESGWPW-YPMHNXCESA-N 2 1 246.354 1.791 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000235379293 176368335 /nfs/dbraw/zinc/36/83/35/176368335.db2.gz OMLAMBOTMLBEOH-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCCF)CC[N@H+]1C ZINC000308475505 176375420 /nfs/dbraw/zinc/37/54/20/176375420.db2.gz DLVXOFQHSJFKII-MNOVXSKESA-N 2 1 202.317 1.808 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@@H+]1C ZINC000361982570 176379400 /nfs/dbraw/zinc/37/94/00/176379400.db2.gz RJKVJBSYUMXYAX-RTXFEEFZSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@H+]1C ZINC000361982570 176379402 /nfs/dbraw/zinc/37/94/02/176379402.db2.gz RJKVJBSYUMXYAX-RTXFEEFZSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000305823735 177014675 /nfs/dbraw/zinc/01/46/75/177014675.db2.gz RRZVZBUWHLZVDN-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000305823735 177014676 /nfs/dbraw/zinc/01/46/76/177014676.db2.gz RRZVZBUWHLZVDN-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000305823735 177014678 /nfs/dbraw/zinc/01/46/78/177014678.db2.gz RRZVZBUWHLZVDN-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)C1 ZINC000358171233 177065248 /nfs/dbraw/zinc/06/52/48/177065248.db2.gz SYUVQBCWJORDRU-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)C1 ZINC000358171233 177065251 /nfs/dbraw/zinc/06/52/51/177065251.db2.gz SYUVQBCWJORDRU-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000341900592 177078752 /nfs/dbraw/zinc/07/87/52/177078752.db2.gz QMQIQNMLSMFHIJ-GRYCIOLGSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000341900592 177078754 /nfs/dbraw/zinc/07/87/54/177078754.db2.gz QMQIQNMLSMFHIJ-GRYCIOLGSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000276627362 177125616 /nfs/dbraw/zinc/12/56/16/177125616.db2.gz ITPIUJGWLMKYRH-JQWIXIFHSA-N 2 1 207.321 1.741 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000335606860 177233758 /nfs/dbraw/zinc/23/37/58/177233758.db2.gz YWAQYMGCMNPTKH-WCQYABFASA-N 2 1 224.348 1.263 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000309775165 177233789 /nfs/dbraw/zinc/23/37/89/177233789.db2.gz LNBQMGYWEPZYHX-GXSJLCMTSA-N 2 1 232.318 1.962 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223217528 177246965 /nfs/dbraw/zinc/24/69/65/177246965.db2.gz NQPUKESXVSIXMQ-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1CO ZINC000362073476 177249438 /nfs/dbraw/zinc/24/94/38/177249438.db2.gz WYAHLRMOTRRBFA-KBPBESRZSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000362073477 177249881 /nfs/dbraw/zinc/24/98/81/177249881.db2.gz WYAHLRMOTRRBFA-UONOGXRCSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000235368895 177257367 /nfs/dbraw/zinc/25/73/67/177257367.db2.gz MCHVJSQFGCFSFL-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251675675 177259007 /nfs/dbraw/zinc/25/90/07/177259007.db2.gz LYMMEJGXADDUSF-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251675675 177259009 /nfs/dbraw/zinc/25/90/09/177259009.db2.gz LYMMEJGXADDUSF-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccccc1 ZINC000132407303 177324934 /nfs/dbraw/zinc/32/49/34/177324934.db2.gz QSOBLXHFWHDKKA-STQMWFEESA-N 2 1 234.343 1.735 20 0 BDADMP C[C@H]1C[C@@H](N(C)Cc2cccn2C)CC[N@H+]1C ZINC000093644984 177326541 /nfs/dbraw/zinc/32/65/41/177326541.db2.gz OXZREWARIPNRNU-STQMWFEESA-N 2 1 235.375 1.940 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccccc1 ZINC000122371795 177361355 /nfs/dbraw/zinc/36/13/55/177361355.db2.gz RVXGLJDHMBPUSE-GXTWGEPZSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CCOCC2CC2)CC[NH2+]1 ZINC000235723657 177361920 /nfs/dbraw/zinc/36/19/20/177361920.db2.gz BFNXLOKAPBPOMT-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[N@H+]1C ZINC000309660047 177368737 /nfs/dbraw/zinc/36/87/37/177368737.db2.gz ASCXPOCDAAOIFU-WCQYABFASA-N 2 1 224.348 1.405 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000356677983 177370045 /nfs/dbraw/zinc/37/00/45/177370045.db2.gz DXJUJPGQRSFIOE-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)CC[N@H+]1C ZINC000177838723 177370706 /nfs/dbraw/zinc/37/07/06/177370706.db2.gz XBLBJAKMWWHMAG-SWLSCSKDSA-N 2 1 248.370 1.751 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCSCC1 ZINC000307082270 177396294 /nfs/dbraw/zinc/39/62/94/177396294.db2.gz HKAGCSRXNXVDMN-MWLCHTKSSA-N 2 1 214.378 1.612 20 0 BDADMP CC[N@@H+](Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000087331641 487641877 /nfs/dbraw/zinc/64/18/77/487641877.db2.gz XIEHPDOVFODTMX-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP CC[N@H+](Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000087331641 487641880 /nfs/dbraw/zinc/64/18/80/487641880.db2.gz XIEHPDOVFODTMX-LBPRGKRZSA-N 2 1 219.332 1.513 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000486932686 225274002 /nfs/dbraw/zinc/27/40/02/225274002.db2.gz HHKXHKQTALDFGJ-OLZOCXBDSA-N 2 1 242.407 1.979 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494934025 226271680 /nfs/dbraw/zinc/27/16/80/226271680.db2.gz UPDWJQDWFZOCKJ-RYUDHWBXSA-N 2 1 228.405 1.623 20 0 BDADMP Cc1ncsc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400495873 226344832 /nfs/dbraw/zinc/34/48/32/226344832.db2.gz AYAJTXMKPHYEIF-KOLCDFICSA-N 2 1 239.388 1.724 20 0 BDADMP C[NH+](C)C1(C[NH2+]CC[C@@H]2CCOC2)CCCC1 ZINC000400525314 226345501 /nfs/dbraw/zinc/34/55/01/226345501.db2.gz FIXFTBQNGZUPPC-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000400748290 226351052 /nfs/dbraw/zinc/35/10/52/226351052.db2.gz UYTZWNWYQXJXSB-FTYKPCCVSA-N 2 1 224.348 1.284 20 0 BDADMP O[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000383643998 487654769 /nfs/dbraw/zinc/65/47/69/487654769.db2.gz CBQQXHSALDFSJO-GXTWGEPZSA-N 2 1 238.375 1.506 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000383738626 487669776 /nfs/dbraw/zinc/66/97/76/487669776.db2.gz HYZNATPGPKKLJU-GWCFXTLKSA-N 2 1 236.363 1.070 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1cncn1C ZINC000314899756 487669868 /nfs/dbraw/zinc/66/98/68/487669868.db2.gz NFIBPAIYIDAVCX-RYUDHWBXSA-N 2 1 236.363 1.164 20 0 BDADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C[NH3+])CC1 ZINC000314925359 487670352 /nfs/dbraw/zinc/67/03/52/487670352.db2.gz PZFXIWJHWMYWKQ-UHFFFAOYSA-N 3 1 236.363 1.023 20 0 BDADMP C[C@H]1CNC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000401705187 487684193 /nfs/dbraw/zinc/68/41/93/487684193.db2.gz RGKHQGAEJNHQDY-BXUZGUMPSA-N 2 1 236.334 1.956 20 0 BDADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000401705187 487684200 /nfs/dbraw/zinc/68/42/00/487684200.db2.gz RGKHQGAEJNHQDY-BXUZGUMPSA-N 2 1 236.334 1.956 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000228620327 487693415 /nfs/dbraw/zinc/69/34/15/487693415.db2.gz AJRHQIUZUHXYNZ-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC000228619377 487695012 /nfs/dbraw/zinc/69/50/12/487695012.db2.gz XYXVXUFUAUOPJH-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC000228619377 487695017 /nfs/dbraw/zinc/69/50/17/487695017.db2.gz XYXVXUFUAUOPJH-LBPRGKRZSA-N 2 1 219.332 1.431 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCOC2)CC[N@H+]1C ZINC000527929299 262895582 /nfs/dbraw/zinc/89/55/82/262895582.db2.gz PKMASZMFVRPQQS-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC[NH3+] ZINC000336713092 487719784 /nfs/dbraw/zinc/71/97/84/487719784.db2.gz VJBBGDVQFOVGDP-QMMMGPOBSA-N 2 1 224.270 1.998 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000226396660 487731234 /nfs/dbraw/zinc/73/12/34/487731234.db2.gz OYQRCCYSGFBSEF-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000250448886 487733293 /nfs/dbraw/zinc/73/32/93/487733293.db2.gz VDXNTTATJSUJCG-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251023864 487746635 /nfs/dbraw/zinc/74/66/35/487746635.db2.gz ZXOFPQQLHQYSMJ-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP CN(C)c1nc(N[C@@H]2CCC[NH2+]CC2)cc[nH+]1 ZINC000226471556 487753031 /nfs/dbraw/zinc/75/30/31/487753031.db2.gz VABNGBXTNSJBPN-SNVBAGLBSA-N 2 1 235.335 1.097 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000309863602 487775724 /nfs/dbraw/zinc/77/57/24/487775724.db2.gz DVSONRLBXFMHHN-HIFRSBDPSA-N 2 1 248.370 1.872 20 0 BDADMP C[N@@H+](CCC[NH3+])CCCCC1CCOCC1 ZINC000300721016 487791479 /nfs/dbraw/zinc/79/14/79/487791479.db2.gz BOBWFPWWPCCZDQ-UHFFFAOYSA-N 2 1 228.380 1.864 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCOC3)CC[C@H]21 ZINC000675983296 487798134 /nfs/dbraw/zinc/79/81/34/487798134.db2.gz PBERLFULPMERJY-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCOC3)CC[C@H]21 ZINC000675983296 487798137 /nfs/dbraw/zinc/79/81/37/487798137.db2.gz PBERLFULPMERJY-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCOC3)CC[C@H]21 ZINC000675983296 487798140 /nfs/dbraw/zinc/79/81/40/487798140.db2.gz PBERLFULPMERJY-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP CC[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000251867809 487803627 /nfs/dbraw/zinc/80/36/27/487803627.db2.gz UDUZUBLTTLYUAW-WCQYABFASA-N 2 1 219.332 1.641 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000251867809 487803630 /nfs/dbraw/zinc/80/36/30/487803630.db2.gz UDUZUBLTTLYUAW-WCQYABFASA-N 2 1 219.332 1.641 20 0 BDADMP [NH3+]CCC[N@@H+](CCO)CC1CCCCC1 ZINC000414747800 487820970 /nfs/dbraw/zinc/82/09/70/487820970.db2.gz SUUAYFMJPDTTJY-UHFFFAOYSA-N 2 1 214.353 1.210 20 0 BDADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CCC[NH3+])C1 ZINC000414757891 487820996 /nfs/dbraw/zinc/82/09/96/487820996.db2.gz UEVGWICEVMTCLN-MQYQWHSLSA-N 2 1 240.391 1.597 20 0 BDADMP CCCC[C@H](CC)CC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415073877 487836422 /nfs/dbraw/zinc/83/64/22/487836422.db2.gz ZAWXBHTUOKYVFL-QWHCGFSZSA-N 2 1 230.396 1.844 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220897 588259906 /nfs/dbraw/zinc/25/99/06/588259906.db2.gz XPTUDANFQFTLSA-RYUDHWBXSA-N 3 1 213.369 1.175 20 0 BDADMP CC[N@H+](CC[NH2+]C(C)(C)C)C[C@H]1CCOC1 ZINC000666623370 487847626 /nfs/dbraw/zinc/84/76/26/487847626.db2.gz VMWFTYCWROLQPZ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CC[N@@H+](CC[NH2+]C(C)(C)C)C[C@H]1CCOC1 ZINC000666623370 487847633 /nfs/dbraw/zinc/84/76/33/487847633.db2.gz VMWFTYCWROLQPZ-GFCCVEGCSA-N 2 1 228.380 1.733 20 0 BDADMP CSCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880471901 591051857 /nfs/dbraw/zinc/05/18/57/591051857.db2.gz APFCWEVLIISXES-UHFFFAOYSA-N 2 1 228.405 1.910 20 0 BDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCC[NH3+])C1 ZINC000666645410 487848797 /nfs/dbraw/zinc/84/87/97/487848797.db2.gz RVUBPUDIWXEWRS-OAHLLOKOSA-N 2 1 247.386 1.542 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666699879 487862757 /nfs/dbraw/zinc/86/27/57/487862757.db2.gz BWEBPEGPQDSMNZ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C(C)C ZINC000234753908 487871099 /nfs/dbraw/zinc/87/10/99/487871099.db2.gz ZKSCNSIKJWCAOZ-NEPJUHHUSA-N 2 1 214.353 1.389 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770744 487876925 /nfs/dbraw/zinc/87/69/25/487876925.db2.gz ULPUJRUSEKCAEP-QWHCGFSZSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1nc2c(s1)CCC2 ZINC000666832340 487888122 /nfs/dbraw/zinc/88/81/22/487888122.db2.gz MOAKHYBZSPNYDL-MRVPVSSYSA-N 2 1 225.361 1.459 20 0 BDADMP CCCn1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000666855412 487890984 /nfs/dbraw/zinc/89/09/84/487890984.db2.gz QKQIHJQBXNDRGN-ZDUSSCGKSA-N 2 1 236.363 1.525 20 0 BDADMP Fc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1F ZINC000666943474 487909468 /nfs/dbraw/zinc/90/94/68/487909468.db2.gz LQCORMGTKWFHAO-UWVGGRQHSA-N 2 1 244.260 1.754 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364305 487934332 /nfs/dbraw/zinc/93/43/32/487934332.db2.gz GAXCDXHMWLALPS-SECBINFHSA-N 2 1 204.264 1.327 20 0 BDADMP Cc1cccnc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000569452105 322966517 /nfs/dbraw/zinc/96/65/17/322966517.db2.gz ODEHAEILEZLPNL-OLZOCXBDSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@H](CCCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000124508390 322999442 /nfs/dbraw/zinc/99/94/42/322999442.db2.gz VCIKDTHBEXBWCG-LLVKDONJSA-N 2 1 226.364 1.364 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000569658366 323035709 /nfs/dbraw/zinc/03/57/09/323035709.db2.gz CEKJLMPJZFVHQD-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000570409590 323058784 /nfs/dbraw/zinc/05/87/84/323058784.db2.gz BYRITCWYTHYDHS-NEPJUHHUSA-N 2 1 212.337 1.239 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000570709346 323068060 /nfs/dbraw/zinc/06/80/60/323068060.db2.gz RCMPWIQWMFFINJ-GXFFZTMASA-N 2 1 222.332 1.718 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000570802245 323070729 /nfs/dbraw/zinc/07/07/29/323070729.db2.gz BKVQMOAXQBZUOM-GJZGRUSLSA-N 3 1 247.386 1.895 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CSC)C1 ZINC000562984714 323078099 /nfs/dbraw/zinc/07/80/99/323078099.db2.gz FMFLQCHANWEYTF-NWDGAFQWSA-N 2 1 246.420 1.032 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000563154087 323095808 /nfs/dbraw/zinc/09/58/08/323095808.db2.gz FVBLLNLFYITXJJ-JQWIXIFHSA-N 2 1 234.347 1.053 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000563153885 323095864 /nfs/dbraw/zinc/09/58/64/323095864.db2.gz GDFWRSRLPXMDLC-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000563421930 323124103 /nfs/dbraw/zinc/12/41/03/323124103.db2.gz YCXZNAIPTNADNV-VOMCLLRMSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cnccn1 ZINC000401815369 323127383 /nfs/dbraw/zinc/12/73/83/323127383.db2.gz WYFGXRSBLZNMIO-JTQLQIEISA-N 2 1 231.303 1.103 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([N@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC000563550488 323129913 /nfs/dbraw/zinc/12/99/13/323129913.db2.gz ZZLVZLJMRMCSGH-MCIONIFRSA-N 2 1 238.375 1.759 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000571103602 323135608 /nfs/dbraw/zinc/13/56/08/323135608.db2.gz FBJPZWLWNHAPQF-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC(C)(C)C1 ZINC000571103602 323135609 /nfs/dbraw/zinc/13/56/09/323135609.db2.gz FBJPZWLWNHAPQF-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000571103602 323135612 /nfs/dbraw/zinc/13/56/12/323135612.db2.gz FBJPZWLWNHAPQF-CHWSQXEVSA-N 2 1 242.407 1.667 20 0 BDADMP Cc1nc(CNC[C@@H]2CCC[N@@H+]2C)[nH]c1C ZINC000571345661 323142181 /nfs/dbraw/zinc/14/21/81/323142181.db2.gz QXLGUPNXOGNEHK-NSHDSACASA-N 2 1 222.336 1.210 20 0 BDADMP Cc1nc(C[NH2+]C[C@@H]2CCCN2C)[nH]c1C ZINC000571345661 323142182 /nfs/dbraw/zinc/14/21/82/323142182.db2.gz QXLGUPNXOGNEHK-NSHDSACASA-N 2 1 222.336 1.210 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530211632 323212026 /nfs/dbraw/zinc/21/20/26/323212026.db2.gz NDERHZJFPDWJCU-JHJVBQTASA-N 2 1 226.364 1.391 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000526119509 323230406 /nfs/dbraw/zinc/23/04/06/323230406.db2.gz UOJIPJVCVGCNFV-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000526119509 323230410 /nfs/dbraw/zinc/23/04/10/323230410.db2.gz UOJIPJVCVGCNFV-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C(C)C ZINC000395761642 323241444 /nfs/dbraw/zinc/24/14/44/323241444.db2.gz AIXCPTHBYBJLSX-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C(C)C ZINC000395761642 323241448 /nfs/dbraw/zinc/24/14/48/323241448.db2.gz AIXCPTHBYBJLSX-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000395761642 323241451 /nfs/dbraw/zinc/24/14/51/323241451.db2.gz AIXCPTHBYBJLSX-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C(C)C ZINC000395761642 323241455 /nfs/dbraw/zinc/24/14/55/323241455.db2.gz AIXCPTHBYBJLSX-ZIAGYGMSSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396623814 323394382 /nfs/dbraw/zinc/39/43/82/323394382.db2.gz VTPQKXJLKTUOBF-FVCCEPFGSA-N 2 1 225.380 1.057 20 0 BDADMP COC1(C[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000134715720 325372927 /nfs/dbraw/zinc/37/29/27/325372927.db2.gz XTCSFCHOTXPRHV-UHFFFAOYSA-N 2 1 212.337 1.239 20 0 BDADMP COc1ccccc1/C=C/C[N@@H+](C)CCC[NH3+] ZINC000566225784 326018649 /nfs/dbraw/zinc/01/86/49/326018649.db2.gz LXOXCANXYOVPGW-VMPITWQZSA-N 2 1 234.343 1.989 20 0 BDADMP COC(=O)CC1([NH2+]C[C@@H]([NH3+])CC(C)C)CC1 ZINC000566316975 326032767 /nfs/dbraw/zinc/03/27/67/326032767.db2.gz AOOPJXDXKKTIGD-JTQLQIEISA-N 2 1 228.336 1.045 20 0 BDADMP CC(C)n1nccc1C[NH2+]CCC[NH+]1CCC1 ZINC000567061403 326109016 /nfs/dbraw/zinc/10/90/16/326109016.db2.gz VYFOQLDEYDPSGV-UHFFFAOYSA-N 2 1 236.363 1.649 20 0 BDADMP COCC1(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000567167369 326127806 /nfs/dbraw/zinc/12/78/06/326127806.db2.gz QGRVOCSMQFVHIN-RYUDHWBXSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000156052453 326217757 /nfs/dbraw/zinc/21/77/57/326217757.db2.gz WCDHLTYOIBGRKE-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000567639272 326236985 /nfs/dbraw/zinc/23/69/85/326236985.db2.gz CWJPRHIZPSVEQA-STQMWFEESA-N 3 1 227.396 1.352 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752458 326255478 /nfs/dbraw/zinc/25/54/78/326255478.db2.gz LHSAVWLWUDBZIY-FDYHWXHSSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567752458 326255479 /nfs/dbraw/zinc/25/54/79/326255479.db2.gz LHSAVWLWUDBZIY-FDYHWXHSSA-N 3 1 225.380 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000568180935 326321540 /nfs/dbraw/zinc/32/15/40/326321540.db2.gz GRFRIMGAOIQHOG-FVCCEPFGSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000568248511 326334400 /nfs/dbraw/zinc/33/44/00/326334400.db2.gz SXMHPSRBMRXWRT-RDBSUJKOSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568248511 326334402 /nfs/dbraw/zinc/33/44/02/326334402.db2.gz SXMHPSRBMRXWRT-RDBSUJKOSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@H]([NH3+])c1ccc(-c2nc(C[NH3+])no2)cc1 ZINC000568881500 326380965 /nfs/dbraw/zinc/38/09/65/326380965.db2.gz HKIFJOHPFMRLAR-ZETCQYMHSA-N 2 1 218.260 1.215 20 0 BDADMP C[C@@H]([NH3+])c1ccc(-c2nc(C[NH3+])no2)cc1 ZINC000568881499 326381049 /nfs/dbraw/zinc/38/10/49/326381049.db2.gz HKIFJOHPFMRLAR-SSDOTTSWSA-N 2 1 218.260 1.215 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)=C[C@H](C)C1 ZINC000568996936 326385591 /nfs/dbraw/zinc/38/55/91/326385591.db2.gz NWZZBGYWQXQSFX-WCQYABFASA-N 2 1 226.364 1.197 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)=C[C@H](C)C1 ZINC000568996936 326385593 /nfs/dbraw/zinc/38/55/93/326385593.db2.gz NWZZBGYWQXQSFX-WCQYABFASA-N 2 1 226.364 1.197 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000568996936 326385594 /nfs/dbraw/zinc/38/55/94/326385594.db2.gz NWZZBGYWQXQSFX-WCQYABFASA-N 2 1 226.364 1.197 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000568996936 326385595 /nfs/dbraw/zinc/38/55/95/326385595.db2.gz NWZZBGYWQXQSFX-WCQYABFASA-N 2 1 226.364 1.197 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)=C[C@@H](C)C1 ZINC000568996937 326385638 /nfs/dbraw/zinc/38/56/38/326385638.db2.gz NWZZBGYWQXQSFX-YPMHNXCESA-N 2 1 226.364 1.197 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)=C[C@@H](C)C1 ZINC000568996937 326385640 /nfs/dbraw/zinc/38/56/40/326385640.db2.gz NWZZBGYWQXQSFX-YPMHNXCESA-N 2 1 226.364 1.197 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000568996937 326385641 /nfs/dbraw/zinc/38/56/41/326385641.db2.gz NWZZBGYWQXQSFX-YPMHNXCESA-N 2 1 226.364 1.197 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000568996937 326385642 /nfs/dbraw/zinc/38/56/42/326385642.db2.gz NWZZBGYWQXQSFX-YPMHNXCESA-N 2 1 226.364 1.197 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000235523669 487976705 /nfs/dbraw/zinc/97/67/05/487976705.db2.gz RYOOYHLGWXRBMR-AAEUAGOBSA-N 2 1 226.364 1.533 20 0 BDADMP CC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667495327 488027651 /nfs/dbraw/zinc/02/76/51/488027651.db2.gz DRXBKENEEREZPD-UHFFFAOYSA-N 2 1 216.288 1.719 20 0 BDADMP CC(C)[NH+]1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084384848 488049680 /nfs/dbraw/zinc/04/96/80/488049680.db2.gz DAGRVXBIJUOLRJ-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP CCCC[N@@H+](CCOC)Cc1cnc(C)n1C ZINC000667618884 488060700 /nfs/dbraw/zinc/06/07/00/488060700.db2.gz LXQBWLGRDUYZRP-UHFFFAOYSA-N 2 1 239.363 1.977 20 0 BDADMP CCCCN(CCOC)Cc1cnc(C)n1C ZINC000667618884 488060702 /nfs/dbraw/zinc/06/07/02/488060702.db2.gz LXQBWLGRDUYZRP-UHFFFAOYSA-N 2 1 239.363 1.977 20 0 BDADMP Cc1[nH+]cc(CN2CCO[C@H](C)[C@@H]2C)n1C ZINC000667640648 488065283 /nfs/dbraw/zinc/06/52/83/488065283.db2.gz ZOOBOPIFBCQHAL-VHSXEESVSA-N 2 1 223.320 1.338 20 0 BDADMP C[C@H](c1ccncc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257757625 488087612 /nfs/dbraw/zinc/08/76/12/488087612.db2.gz WXVWDTVNQPVZMP-TZMCWYRMSA-N 2 1 231.343 1.828 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257757625 488087617 /nfs/dbraw/zinc/08/76/17/488087617.db2.gz WXVWDTVNQPVZMP-TZMCWYRMSA-N 2 1 231.343 1.828 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](CC)[C@@H](C)C1 ZINC000683141629 488117688 /nfs/dbraw/zinc/11/76/88/488117688.db2.gz IWUBNICVLYIRKM-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667822675 488129269 /nfs/dbraw/zinc/12/92/69/488129269.db2.gz QHHMDALPHQQFHJ-OLZOCXBDSA-N 2 1 235.331 1.349 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1[NH3+] ZINC000403626998 488129416 /nfs/dbraw/zinc/12/94/16/488129416.db2.gz MDUQZTCGGCOSDG-NJMOYASZSA-N 2 1 208.349 1.702 20 0 BDADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086729969 487540362 /nfs/dbraw/zinc/54/03/62/487540362.db2.gz PKPODPRPTKMJEN-MFKMUULPSA-N 2 1 222.307 1.708 20 0 BDADMP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086728670 487541009 /nfs/dbraw/zinc/54/10/09/487541009.db2.gz LCNPRQYQWJESRW-GXTWGEPZSA-N 2 1 218.344 1.878 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CCC1 ZINC000662275998 487530338 /nfs/dbraw/zinc/53/03/38/487530338.db2.gz GSYODOPBLAFACE-HBJVGIJOSA-N 2 1 240.391 1.778 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674301985 487554845 /nfs/dbraw/zinc/55/48/45/487554845.db2.gz IJIWRWVVPXPNIV-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP C[C@@H](CO)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000680073715 487533276 /nfs/dbraw/zinc/53/32/76/487533276.db2.gz JBVTVGYCHSPEHU-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000399627302 487491012 /nfs/dbraw/zinc/49/10/12/487491012.db2.gz VRNWQHNGVQQPJF-XJFOESAGSA-N 2 1 242.407 1.664 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000399627302 487491021 /nfs/dbraw/zinc/49/10/21/487491021.db2.gz VRNWQHNGVQQPJF-XJFOESAGSA-N 2 1 242.407 1.664 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000399627302 487491025 /nfs/dbraw/zinc/49/10/25/487491025.db2.gz VRNWQHNGVQQPJF-XJFOESAGSA-N 2 1 242.407 1.664 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000380976005 487491881 /nfs/dbraw/zinc/49/18/81/487491881.db2.gz BLDUSYGWDFCFBR-CHWSQXEVSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000380976005 487491885 /nfs/dbraw/zinc/49/18/85/487491885.db2.gz BLDUSYGWDFCFBR-CHWSQXEVSA-N 2 1 230.396 1.808 20 0 BDADMP CC[C@@H](C)[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000380976005 487491889 /nfs/dbraw/zinc/49/18/89/487491889.db2.gz BLDUSYGWDFCFBR-CHWSQXEVSA-N 2 1 230.396 1.808 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000231984940 487495272 /nfs/dbraw/zinc/49/52/72/487495272.db2.gz QBMLMAVTNUHXOK-CMPLNLGQSA-N 2 1 212.337 1.238 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399710068 487496599 /nfs/dbraw/zinc/49/65/99/487496599.db2.gz YIHFSEHRVWDOMB-CYDGBPFRSA-N 2 1 228.380 1.275 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1C ZINC000381100997 487496613 /nfs/dbraw/zinc/49/66/13/487496613.db2.gz XVRYJCMNNHOKJT-AGIUHOORSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000381100997 487496620 /nfs/dbraw/zinc/49/66/20/487496620.db2.gz XVRYJCMNNHOKJT-AGIUHOORSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000381100997 487496628 /nfs/dbraw/zinc/49/66/28/487496628.db2.gz XVRYJCMNNHOKJT-AGIUHOORSA-N 2 1 228.380 1.418 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399710068 487496604 /nfs/dbraw/zinc/49/66/04/487496604.db2.gz YIHFSEHRVWDOMB-CYDGBPFRSA-N 2 1 228.380 1.275 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399710068 487496610 /nfs/dbraw/zinc/49/66/10/487496610.db2.gz YIHFSEHRVWDOMB-CYDGBPFRSA-N 2 1 228.380 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399710068 487496616 /nfs/dbraw/zinc/49/66/16/487496616.db2.gz YIHFSEHRVWDOMB-CYDGBPFRSA-N 2 1 228.380 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399710068 487496623 /nfs/dbraw/zinc/49/66/23/487496623.db2.gz YIHFSEHRVWDOMB-CYDGBPFRSA-N 2 1 228.380 1.275 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662266757 487503285 /nfs/dbraw/zinc/50/32/85/487503285.db2.gz OSVLQJAAJTWGKL-IVZWLZJFSA-N 2 1 234.290 1.080 20 0 BDADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000679997364 487512512 /nfs/dbraw/zinc/51/25/12/487512512.db2.gz LIZJYEFSJGABBS-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1[nH+]cc(CN2CCO[C@@H](C3CCC3)C2)n1C ZINC000668238076 487521595 /nfs/dbraw/zinc/52/15/95/487521595.db2.gz GSWHTBRSTOLCEM-CQSZACIVSA-N 2 1 249.358 1.729 20 0 BDADMP C[NH2+]C[C@H]1CCCN1CCCc1c[nH+]cn1C ZINC000314696276 490092161 /nfs/dbraw/zinc/09/21/61/490092161.db2.gz CVWPSGFCLMVRJV-CYBMUJFWSA-N 2 1 236.363 1.037 20 0 BDADMP CCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000379536637 488141599 /nfs/dbraw/zinc/14/15/99/488141599.db2.gz LVKKRXGOLSZLDN-NSHDSACASA-N 2 1 202.342 1.029 20 0 BDADMP CCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000379536637 488141601 /nfs/dbraw/zinc/14/16/01/488141601.db2.gz LVKKRXGOLSZLDN-NSHDSACASA-N 2 1 202.342 1.029 20 0 BDADMP CCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000379536637 488141604 /nfs/dbraw/zinc/14/16/04/488141604.db2.gz LVKKRXGOLSZLDN-NSHDSACASA-N 2 1 202.342 1.029 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCn2nccc21 ZINC000657859294 488152906 /nfs/dbraw/zinc/15/29/06/488152906.db2.gz RYOCUQNBYTZTMP-RYUDHWBXSA-N 2 1 236.363 1.648 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657878755 488159329 /nfs/dbraw/zinc/15/93/29/488159329.db2.gz ZPUCHJRIRRQVDS-CHWSQXEVSA-N 2 1 248.374 1.649 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657878755 488159332 /nfs/dbraw/zinc/15/93/32/488159332.db2.gz ZPUCHJRIRRQVDS-CHWSQXEVSA-N 2 1 248.374 1.649 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)n1C ZINC000667947393 488166031 /nfs/dbraw/zinc/16/60/31/488166031.db2.gz OOZKJVMVGSRASQ-OCCSQVGLSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)n1C ZINC000667947393 488166034 /nfs/dbraw/zinc/16/60/34/488166034.db2.gz OOZKJVMVGSRASQ-OCCSQVGLSA-N 2 1 248.374 1.255 20 0 BDADMP CCOC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000040690203 488176592 /nfs/dbraw/zinc/17/65/92/488176592.db2.gz RQEMAUSQJHBNEA-LBPRGKRZSA-N 2 1 228.380 1.861 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000323765222 488220689 /nfs/dbraw/zinc/22/06/89/488220689.db2.gz WAVLDHZYJOZCNK-CHWSQXEVSA-N 2 1 228.380 1.466 20 0 BDADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000398693158 488222454 /nfs/dbraw/zinc/22/24/54/488222454.db2.gz HHGAKLONKQEHJO-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000398693158 488222457 /nfs/dbraw/zinc/22/24/57/488222457.db2.gz HHGAKLONKQEHJO-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cn[nH]c2)C[C@H]1n1ccnc1 ZINC000678336760 488241925 /nfs/dbraw/zinc/24/19/25/488241925.db2.gz LKYTVCXUMXSIII-WCQYABFASA-N 2 1 245.330 1.689 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679128213 488306658 /nfs/dbraw/zinc/30/66/58/488306658.db2.gz NCGSEAMVUAVTCP-SDDRHHMPSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679128213 488306661 /nfs/dbraw/zinc/30/66/61/488306661.db2.gz NCGSEAMVUAVTCP-SDDRHHMPSA-N 2 1 214.353 1.220 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000679338264 488341406 /nfs/dbraw/zinc/34/14/06/488341406.db2.gz JTTVAECQHVFVQV-SECBINFHSA-N 2 1 233.319 1.574 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000665283030 490096341 /nfs/dbraw/zinc/09/63/41/490096341.db2.gz GKUOKGAXMNZINA-GHMZBOCLSA-N 2 1 224.352 1.444 20 0 BDADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1C ZINC000385031347 490235364 /nfs/dbraw/zinc/23/53/64/490235364.db2.gz PUNUTSYRVHWOQE-UHFFFAOYSA-N 2 1 234.343 1.925 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(F)c1 ZINC000401815996 490586544 /nfs/dbraw/zinc/58/65/44/490586544.db2.gz XFPQQFFGTNWGNN-UHFFFAOYSA-N 2 1 233.290 1.892 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000662293308 491087528 /nfs/dbraw/zinc/08/75/28/491087528.db2.gz GKOLRDJPYMGYCV-UHFFFAOYSA-N 3 1 227.396 1.435 20 0 BDADMP CN(CCCC1CC[NH2+]CC1)CC(C)(C)[NH3+] ZINC000662293308 491087530 /nfs/dbraw/zinc/08/75/30/491087530.db2.gz GKOLRDJPYMGYCV-UHFFFAOYSA-N 2 1 227.396 1.435 20 0 BDADMP C[N@H+](CCCC1CC[NH2+]CC1)CC(C)(C)N ZINC000662293308 491087532 /nfs/dbraw/zinc/08/75/32/491087532.db2.gz GKOLRDJPYMGYCV-UHFFFAOYSA-N 2 1 227.396 1.435 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC(C)(C)N ZINC000662293308 491087533 /nfs/dbraw/zinc/08/75/33/491087533.db2.gz GKOLRDJPYMGYCV-UHFFFAOYSA-N 2 1 227.396 1.435 20 0 BDADMP Cc1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cn1 ZINC000655937806 491098764 /nfs/dbraw/zinc/09/87/64/491098764.db2.gz GDDOKERWEMYNES-ZDUSSCGKSA-N 2 1 219.332 1.607 20 0 BDADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000571304304 491124089 /nfs/dbraw/zinc/12/40/89/491124089.db2.gz HUHJSKFCPDPVPU-SNPRPXQTSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000571304304 491124091 /nfs/dbraw/zinc/12/40/91/491124091.db2.gz HUHJSKFCPDPVPU-SNPRPXQTSA-N 2 1 248.370 1.792 20 0 BDADMP CC(C)(C)OCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309366217 491147534 /nfs/dbraw/zinc/14/75/34/491147534.db2.gz POBKRDLJVIOTRS-TXEJJXNPSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000400424166 533814174 /nfs/dbraw/zinc/81/41/74/533814174.db2.gz XVIDECCDWRZQPC-WYTNZGFTSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]([NH2+]CCc1ccco1)[C@H]1CCC[NH2+]1 ZINC000400357592 533875157 /nfs/dbraw/zinc/87/51/57/533875157.db2.gz BADKOLDYHUODMK-CMPLNLGQSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484512567 533899809 /nfs/dbraw/zinc/89/98/09/533899809.db2.gz SEUVRQFXMIAMEB-XDQVBPFNSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484512567 533899815 /nfs/dbraw/zinc/89/98/15/533899815.db2.gz SEUVRQFXMIAMEB-XDQVBPFNSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H](CCO)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000779343407 582667917 /nfs/dbraw/zinc/66/79/17/582667917.db2.gz YBTOYEMPWITPQI-RDBSUJKOSA-N 2 1 242.407 1.857 20 0 BDADMP CCn1nccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262071192 535868310 /nfs/dbraw/zinc/86/83/10/535868310.db2.gz SBAWXPOULMYPRK-UHFFFAOYSA-N 2 1 248.374 1.479 20 0 BDADMP CN(C)C(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849024396 582829985 /nfs/dbraw/zinc/82/99/85/582829985.db2.gz WDYZCNMGKGZMBV-SNVBAGLBSA-N 2 1 226.368 1.193 20 0 BDADMP C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)C[NH3+] ZINC000259174242 536471214 /nfs/dbraw/zinc/47/12/14/536471214.db2.gz VXCAHYRBSGWAHF-SECBINFHSA-N 2 1 246.713 1.231 20 0 BDADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)C[NH3+] ZINC000259174242 536471218 /nfs/dbraw/zinc/47/12/18/536471218.db2.gz VXCAHYRBSGWAHF-SECBINFHSA-N 2 1 246.713 1.231 20 0 BDADMP CC(C)CCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400446579 527759788 /nfs/dbraw/zinc/75/97/88/527759788.db2.gz NSRVWVBUZKUVTR-OLZOCXBDSA-N 2 1 228.380 1.779 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@H]2C)C1 ZINC000488355533 527817401 /nfs/dbraw/zinc/81/74/01/527817401.db2.gz RONBSJMKVOGAAF-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 ZINC000488355533 527817406 /nfs/dbraw/zinc/81/74/06/527817406.db2.gz RONBSJMKVOGAAF-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000488355533 527817416 /nfs/dbraw/zinc/81/74/16/527817416.db2.gz RONBSJMKVOGAAF-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000305129664 527879739 /nfs/dbraw/zinc/87/97/39/527879739.db2.gz JLVMKBUFDMVSNY-XDQVBPFNSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400371793 527977189 /nfs/dbraw/zinc/97/71/89/527977189.db2.gz HBNWEHHZYOCGNJ-QWRGUYRKSA-N 2 1 200.326 1.142 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400322313 527980270 /nfs/dbraw/zinc/98/02/70/527980270.db2.gz BKTKHZZLAOWFQZ-OLZOCXBDSA-N 2 1 227.396 1.448 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400393456 528818115 /nfs/dbraw/zinc/81/81/15/528818115.db2.gz JIQDITIBCFBEGR-STQMWFEESA-N 2 1 227.396 1.447 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400551018 528824292 /nfs/dbraw/zinc/82/42/92/528824292.db2.gz XNPGPEOOHWBGTA-VXGBXAGGSA-N 2 1 213.369 1.057 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400358280 528976953 /nfs/dbraw/zinc/97/69/53/528976953.db2.gz CAGNPFVPABBEOG-GHMZBOCLSA-N 2 1 214.353 1.268 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000400363634 529248332 /nfs/dbraw/zinc/24/83/32/529248332.db2.gz DAQJVEJBKFFXER-RVMXOQNASA-N 2 1 228.380 1.778 20 0 BDADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000304052645 529296382 /nfs/dbraw/zinc/29/63/82/529296382.db2.gz LHLQBZMMIJVXJN-SNVBAGLBSA-N 2 1 226.368 1.370 20 0 BDADMP CC(C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335320867 535196939 /nfs/dbraw/zinc/19/69/39/535196939.db2.gz IRNNGAYAQPBMQE-CYBMUJFWSA-N 2 1 239.407 1.495 20 0 BDADMP CCCC[N@@H+](C)CC1CCN(CC[NH3+])CC1 ZINC000258603297 535216321 /nfs/dbraw/zinc/21/63/21/535216321.db2.gz HTIIGJXNCICQKH-UHFFFAOYSA-N 2 1 227.396 1.389 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH2+]C)C1(C)C ZINC000261529889 535506100 /nfs/dbraw/zinc/50/61/00/535506100.db2.gz BRAMVPZFBGCDJT-GARJFASQSA-N 2 1 214.353 1.388 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250586509 535515653 /nfs/dbraw/zinc/51/56/53/535515653.db2.gz ZPRMNOBJINKQNY-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249328020 535541036 /nfs/dbraw/zinc/54/10/36/535541036.db2.gz VBIBSXCZFKRXFQ-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CCOCC[N@@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000084385928 535585189 /nfs/dbraw/zinc/58/51/89/535585189.db2.gz WMFURZVOHJEIMC-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222022125 535690253 /nfs/dbraw/zinc/69/02/53/535690253.db2.gz UKNTWFIVPHQNNZ-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222022125 535690257 /nfs/dbraw/zinc/69/02/57/535690257.db2.gz UKNTWFIVPHQNNZ-XQQFMLRXSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781177 535812793 /nfs/dbraw/zinc/81/27/93/535812793.db2.gz BQQRLVDZLLNOBY-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000348105961 535824784 /nfs/dbraw/zinc/82/47/84/535824784.db2.gz OWVRTGHPJDYQRP-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261533657 535834574 /nfs/dbraw/zinc/83/45/74/535834574.db2.gz JJWPHLROIHTELN-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000348128879 535860588 /nfs/dbraw/zinc/86/05/88/535860588.db2.gz QNFHEFHYSIFJGI-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000348128879 535860583 /nfs/dbraw/zinc/86/05/83/535860583.db2.gz QNFHEFHYSIFJGI-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1O ZINC000348128879 535860581 /nfs/dbraw/zinc/86/05/81/535860581.db2.gz QNFHEFHYSIFJGI-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)CCO1 ZINC000262061736 535899709 /nfs/dbraw/zinc/89/97/09/535899709.db2.gz RESPPVNJCSEIKK-LPWJVIDDSA-N 2 1 226.364 1.471 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000252966621 536072976 /nfs/dbraw/zinc/07/29/76/536072976.db2.gz SVPJGYVXJIWRHV-DGCLKSJQSA-N 2 1 236.363 1.333 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000252966621 536072980 /nfs/dbraw/zinc/07/29/80/536072980.db2.gz SVPJGYVXJIWRHV-DGCLKSJQSA-N 2 1 236.363 1.333 20 0 BDADMP CCc1nc(N2CC[C@H]([C@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000261545962 536125760 /nfs/dbraw/zinc/12/57/60/536125760.db2.gz GMEUVZFPLXNAFV-QWRGUYRKSA-N 2 1 234.347 1.521 20 0 BDADMP CCc1nc(NC[C@@H]2CCC[NH2+]2)cc(C)[nH+]1 ZINC000261570083 536126267 /nfs/dbraw/zinc/12/62/67/536126267.db2.gz GPBLPMFTNCXUDE-JTQLQIEISA-N 2 1 220.320 1.511 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000336120970 536138526 /nfs/dbraw/zinc/13/85/26/536138526.db2.gz GRXLJLRHXGXXKA-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@H]1CCc2ccccc21 ZINC000227743091 536343136 /nfs/dbraw/zinc/34/31/36/536343136.db2.gz FMCFCZVZORQVAU-ZDUSSCGKSA-N 2 1 204.317 1.955 20 0 BDADMP C[NH+]1CCC([NH2+]CCOC(F)(F)F)CC1 ZINC000084177745 536344144 /nfs/dbraw/zinc/34/41/44/536344144.db2.gz AKQLJURLVYWDLC-UHFFFAOYSA-N 2 1 226.242 1.207 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+]2CCC[C@@H]2C1 ZINC000179245104 536371046 /nfs/dbraw/zinc/37/10/46/536371046.db2.gz KGJAJHMWYSPBCE-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179245104 536371048 /nfs/dbraw/zinc/37/10/48/536371048.db2.gz KGJAJHMWYSPBCE-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179245104 536371050 /nfs/dbraw/zinc/37/10/50/536371050.db2.gz KGJAJHMWYSPBCE-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261543471 536828361 /nfs/dbraw/zinc/82/83/61/536828361.db2.gz SUTCLAISVNXZNU-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC=C(F)C2)CC1 ZINC000893436118 583142745 /nfs/dbraw/zinc/14/27/45/583142745.db2.gz GUXWWLJCYGXABE-UHFFFAOYSA-N 2 1 212.312 1.887 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853022943 588716601 /nfs/dbraw/zinc/71/66/01/588716601.db2.gz INTWYXZVIHADOR-JTQLQIEISA-N 2 1 246.445 1.853 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC2SCCS2)C1 ZINC000853023511 588716622 /nfs/dbraw/zinc/71/66/22/588716622.db2.gz ZLVOGPLFGFRQJP-ZJUUUORDSA-N 2 1 246.445 1.852 20 0 BDADMP Cc1cc([NH2+]CC2CC[NH2+]CC2)ccc1N ZINC000853249479 588727226 /nfs/dbraw/zinc/72/72/26/588727226.db2.gz HTVCBHXWHVPDKR-UHFFFAOYSA-N 2 1 219.332 1.989 20 0 BDADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848997551 582821023 /nfs/dbraw/zinc/82/10/23/582821023.db2.gz PEMWBJOJKJWXRT-NSHDSACASA-N 2 1 238.379 1.385 20 0 BDADMP CC[C@@H](C)[N@H+](C)CCNc1nc(N)cc(C)[nH+]1 ZINC000892282723 582826759 /nfs/dbraw/zinc/82/67/59/582826759.db2.gz BWHDMCQUKUVQGX-SNVBAGLBSA-N 2 1 237.351 1.509 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNc1nc(N)cc(C)[nH+]1 ZINC000892282723 582826761 /nfs/dbraw/zinc/82/67/61/582826761.db2.gz BWHDMCQUKUVQGX-SNVBAGLBSA-N 2 1 237.351 1.509 20 0 BDADMP CCCNC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849023693 582829760 /nfs/dbraw/zinc/82/97/60/582829760.db2.gz ADMYCLURRWQDTH-NSHDSACASA-N 2 1 240.395 1.631 20 0 BDADMP CCCC[N@H+](C)CCNc1cc(NC)[nH+]cn1 ZINC000892492040 582898068 /nfs/dbraw/zinc/89/80/68/582898068.db2.gz JWNRXZKTRDJRAU-UHFFFAOYSA-N 2 1 237.351 1.662 20 0 BDADMP CCCC[N@@H+](C)CCNc1cc(NC)[nH+]cn1 ZINC000892492040 582898070 /nfs/dbraw/zinc/89/80/70/582898070.db2.gz JWNRXZKTRDJRAU-UHFFFAOYSA-N 2 1 237.351 1.662 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cncnc2)C1 ZINC000180003017 582901715 /nfs/dbraw/zinc/90/17/15/582901715.db2.gz LOWHQIYPHBAVDM-CYBMUJFWSA-N 2 1 248.374 1.640 20 0 BDADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000892674212 582948289 /nfs/dbraw/zinc/94/82/89/582948289.db2.gz UJDVWNLLAOXFSE-UWVGGRQHSA-N 2 1 235.335 1.262 20 0 BDADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000892674211 582948815 /nfs/dbraw/zinc/94/88/15/582948815.db2.gz UJDVWNLLAOXFSE-NXEZZACHSA-N 2 1 235.335 1.262 20 0 BDADMP Cc1cc(F)ncc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000892762689 582977797 /nfs/dbraw/zinc/97/77/97/582977797.db2.gz CVQKUUMOAWBLFS-LLVKDONJSA-N 2 1 239.338 1.959 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000851985999 582990470 /nfs/dbraw/zinc/99/04/70/582990470.db2.gz YHEGXZMGQVULRG-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750610 583016756 /nfs/dbraw/zinc/01/67/56/583016756.db2.gz ABGHAUJVJJIDEQ-CRWXNKLISA-N 2 1 220.360 1.860 20 0 BDADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)nc1 ZINC000893305882 583095919 /nfs/dbraw/zinc/09/59/19/583095919.db2.gz YUOFXAQHEBISKH-UHFFFAOYSA-N 2 1 247.342 1.442 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1C ZINC000893668433 583192098 /nfs/dbraw/zinc/19/20/98/583192098.db2.gz FJVUPDOEYQSXKL-OLZOCXBDSA-N 2 1 239.407 1.353 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857085133 588886396 /nfs/dbraw/zinc/88/63/96/588886396.db2.gz ISSPPPGFTYXYQS-OLZOCXBDSA-N 2 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857085133 588886397 /nfs/dbraw/zinc/88/63/97/588886397.db2.gz ISSPPPGFTYXYQS-OLZOCXBDSA-N 2 1 225.380 1.319 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000857085133 588886398 /nfs/dbraw/zinc/88/63/98/588886398.db2.gz ISSPPPGFTYXYQS-OLZOCXBDSA-N 2 1 225.380 1.319 20 0 BDADMP N[C@]12CCC[C@@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000857085133 588886399 /nfs/dbraw/zinc/88/63/99/588886399.db2.gz ISSPPPGFTYXYQS-OLZOCXBDSA-N 2 1 225.380 1.319 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)ccnc2N)C1 ZINC000894190504 583334428 /nfs/dbraw/zinc/33/44/28/583334428.db2.gz QWOSNUCNSXQEFX-GFCCVEGCSA-N 2 1 248.374 1.404 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)ccnc2N)C1 ZINC000894190504 583334429 /nfs/dbraw/zinc/33/44/29/583334429.db2.gz QWOSNUCNSXQEFX-GFCCVEGCSA-N 2 1 248.374 1.404 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCO1 ZINC000894246360 583389707 /nfs/dbraw/zinc/38/97/07/583389707.db2.gz RUGYYXQALSSZJY-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(C[NH+]2CC(OC(F)F)C2)CC1 ZINC000894833074 583528300 /nfs/dbraw/zinc/52/83/00/583528300.db2.gz NSVOXTSHMWIUNI-UHFFFAOYSA-N 2 1 234.290 1.252 20 0 BDADMP COCC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894894735 583549176 /nfs/dbraw/zinc/54/91/76/583549176.db2.gz NHWYQIIIVBLBMO-FUDCBSFHSA-N 2 1 240.391 1.874 20 0 BDADMP Cc1ncoc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000894968940 583560505 /nfs/dbraw/zinc/56/05/05/583560505.db2.gz ZQAZEKYPQKAWJR-UHFFFAOYSA-N 2 1 237.347 1.947 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000895386800 583663323 /nfs/dbraw/zinc/66/33/23/583663323.db2.gz YCCILGUTEXEEBY-KBPBESRZSA-N 2 1 238.375 1.297 20 0 BDADMP Cc1cc(F)ncc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895428474 583668725 /nfs/dbraw/zinc/66/87/25/583668725.db2.gz HBUSMJPWIYJWSS-LLVKDONJSA-N 2 1 239.338 1.959 20 0 BDADMP CCn1cc(C[NH2+]CC[C@H](C)[NH+](C)C)c(C)n1 ZINC000895429620 583668917 /nfs/dbraw/zinc/66/89/17/583668917.db2.gz RAAWIMZJNVTECZ-NSHDSACASA-N 2 1 238.379 1.641 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000895435104 583673052 /nfs/dbraw/zinc/67/30/52/583673052.db2.gz XPZXTTKRPUAXHY-STQMWFEESA-N 2 1 208.349 1.670 20 0 BDADMP C[C@H]1[C@@H](Nc2nccc(N(C)C)n2)CC[N@H+]1C ZINC000895740215 583714415 /nfs/dbraw/zinc/71/44/15/583714415.db2.gz MKVVPFJSCMBDLQ-UWVGGRQHSA-N 2 1 235.335 1.047 20 0 BDADMP C[N@H+]1CC[C@@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000895768252 583724153 /nfs/dbraw/zinc/72/41/53/583724153.db2.gz AOLMQMHBYJHIQM-SECBINFHSA-N 2 1 247.346 1.054 20 0 BDADMP C[N@H+]1CC[C@@H]1CNc1ccnc2ccncc21 ZINC000895772218 583725298 /nfs/dbraw/zinc/72/52/98/583725298.db2.gz YFZNENAZJVIBRR-SNVBAGLBSA-N 2 1 228.299 1.168 20 0 BDADMP Cc1cc(F)ncc1CN[C@H]1CC[N@H+](C)[C@@H]1C ZINC000896554568 583811682 /nfs/dbraw/zinc/81/16/82/583811682.db2.gz VQXFAKGIRODOCK-PWSUYJOCSA-N 2 1 237.322 1.711 20 0 BDADMP Cc1cc(F)ncc1CN[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000896554568 583811683 /nfs/dbraw/zinc/81/16/83/583811683.db2.gz VQXFAKGIRODOCK-PWSUYJOCSA-N 2 1 237.322 1.711 20 0 BDADMP Cc1cc(F)ncc1CN[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000896554569 583812274 /nfs/dbraw/zinc/81/22/74/583812274.db2.gz VQXFAKGIRODOCK-ZYHUDNBSSA-N 2 1 237.322 1.711 20 0 BDADMP Cc1cc(F)ncc1CN[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000896554569 583812275 /nfs/dbraw/zinc/81/22/75/583812275.db2.gz VQXFAKGIRODOCK-ZYHUDNBSSA-N 2 1 237.322 1.711 20 0 BDADMP Cc1cc(F)ncc1CN[C@@H]1CC[N@H+](C)[C@H]1C ZINC000896554566 583812308 /nfs/dbraw/zinc/81/23/08/583812308.db2.gz VQXFAKGIRODOCK-CMPLNLGQSA-N 2 1 237.322 1.711 20 0 BDADMP Cc1cc(F)ncc1CN[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000896554566 583812309 /nfs/dbraw/zinc/81/23/09/583812309.db2.gz VQXFAKGIRODOCK-CMPLNLGQSA-N 2 1 237.322 1.711 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000896577909 583814773 /nfs/dbraw/zinc/81/47/73/583814773.db2.gz DKBQPSPSBZBSKL-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP CC[S@@](=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858133633 588934363 /nfs/dbraw/zinc/93/43/63/588934363.db2.gz TZEYYQSTQIAXNP-MEDUHNTESA-N 2 1 246.420 1.217 20 0 BDADMP CC[S@@](=O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858133633 588934364 /nfs/dbraw/zinc/93/43/64/588934364.db2.gz TZEYYQSTQIAXNP-MEDUHNTESA-N 2 1 246.420 1.217 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)C2CC2)CC1(C)C ZINC000858138069 588934873 /nfs/dbraw/zinc/93/48/73/588934873.db2.gz NJIVFFUGAJVKIN-NWDGAFQWSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)C2CC2)CC1(C)C ZINC000858138068 588935142 /nfs/dbraw/zinc/93/51/42/588935142.db2.gz NJIVFFUGAJVKIN-NEPJUHHUSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@@H+]1CC[C@@H]([NH2+]CCC[S@](C)=O)CC1(C)C ZINC000858138764 588935148 /nfs/dbraw/zinc/93/51/48/588935148.db2.gz ARNUAULNWLFQBL-BZNIZROVSA-N 2 1 246.420 1.217 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCC[S@](C)=O)CC1(C)C ZINC000858138764 588935149 /nfs/dbraw/zinc/93/51/49/588935149.db2.gz ARNUAULNWLFQBL-BZNIZROVSA-N 2 1 246.420 1.217 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CS[C@@H](C)C1)C[NH+](C)C ZINC000896880158 583844985 /nfs/dbraw/zinc/84/49/85/583844985.db2.gz PCQYJHUNWDFSBF-SDDRHHMPSA-N 2 1 246.420 1.437 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH+](C)C ZINC000896879168 583845003 /nfs/dbraw/zinc/84/50/03/583845003.db2.gz ZKLMISJKXXKWAQ-MQYQWHSLSA-N 2 1 240.391 1.731 20 0 BDADMP CCO[C@@H](C[NH2+]CCSCC)C[NH+](C)C ZINC000896880252 583845615 /nfs/dbraw/zinc/84/56/15/583845615.db2.gz SBHLBRSUGIINOM-NSHDSACASA-N 2 1 234.409 1.296 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000250661911 583963874 /nfs/dbraw/zinc/96/38/74/583963874.db2.gz YXXJCERVRPLCDC-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000864465569 584008305 /nfs/dbraw/zinc/00/83/05/584008305.db2.gz AADGIMUGXMECMU-PWSUYJOCSA-N 2 1 238.379 1.383 20 0 BDADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000864465568 584008371 /nfs/dbraw/zinc/00/83/71/584008371.db2.gz AADGIMUGXMECMU-JQWIXIFHSA-N 2 1 238.379 1.383 20 0 BDADMP C[NH+]1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC000897990582 584072082 /nfs/dbraw/zinc/07/20/82/584072082.db2.gz AEAKCTLSBDNWPE-UHFFFAOYSA-N 2 1 246.314 1.407 20 0 BDADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)C[N@H+]1C1CC1 ZINC000858441382 588954838 /nfs/dbraw/zinc/95/48/38/588954838.db2.gz PWRQIYLPZMTPQC-ZYHUDNBSSA-N 2 1 247.342 1.611 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC000898381479 584113795 /nfs/dbraw/zinc/11/37/95/584113795.db2.gz HHTKYFWCEHNJDS-UONOGXRCSA-N 2 1 238.375 1.485 20 0 BDADMP OCc1cc(N[C@H]2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000858490792 588960205 /nfs/dbraw/zinc/96/02/05/588960205.db2.gz ONQKAFUJKMXKBB-NSHDSACASA-N 2 1 244.298 1.197 20 0 BDADMP C[C@@H](NC(=[NH2+])NCC[N@H+]1CC=CCC1)C1CC1 ZINC000899271893 584191427 /nfs/dbraw/zinc/19/14/27/584191427.db2.gz RXCKJPUBOGOISN-LLVKDONJSA-N 2 1 236.363 1.161 20 0 BDADMP C[C@@H](NC(=[NH2+])NCC[N@@H+]1CC=CCC1)C1CC1 ZINC000899271893 584191429 /nfs/dbraw/zinc/19/14/29/584191429.db2.gz RXCKJPUBOGOISN-LLVKDONJSA-N 2 1 236.363 1.161 20 0 BDADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000900008747 584264795 /nfs/dbraw/zinc/26/47/95/584264795.db2.gz AFPTZHBNPLHVFD-LPEHRKFASA-N 2 1 240.351 1.656 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902316177 584556024 /nfs/dbraw/zinc/55/60/24/584556024.db2.gz FGLZAIZUCLTQHC-VXGBXAGGSA-N 2 1 227.396 1.304 20 0 BDADMP NC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000902410657 584576250 /nfs/dbraw/zinc/57/62/50/584576250.db2.gz RTPNPNBDRSRZAE-ZDUSSCGKSA-N 2 1 233.359 1.548 20 0 BDADMP [NH3+]CCC[C@H](NCC1([NH3+])CC1)c1ccccc1 ZINC000902410657 584576251 /nfs/dbraw/zinc/57/62/51/584576251.db2.gz RTPNPNBDRSRZAE-ZDUSSCGKSA-N 2 1 233.359 1.548 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)C1 ZINC000902394337 584584556 /nfs/dbraw/zinc/58/45/56/584584556.db2.gz VDTRDNQLEWORBE-TUAOUCFPSA-N 2 1 243.370 1.054 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401000 584587412 /nfs/dbraw/zinc/58/74/12/584587412.db2.gz ZCVVUCGVUOGTQZ-CHWSQXEVSA-N 3 1 241.423 1.728 20 0 BDADMP C[C@@H](CC1CCOCC1)[NH2+]CC1([NH3+])CC1 ZINC000902415336 584589609 /nfs/dbraw/zinc/58/96/09/584589609.db2.gz DVBCEPMWYCMMFT-JTQLQIEISA-N 2 1 212.337 1.273 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000902416149 584590555 /nfs/dbraw/zinc/59/05/55/584590555.db2.gz SVTHMPDKUUAJFB-JTQLQIEISA-N 2 1 248.326 1.600 20 0 BDADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902413120 584599532 /nfs/dbraw/zinc/59/95/32/584599532.db2.gz IVENMBHSDOBDCE-SNVBAGLBSA-N 2 1 247.342 1.787 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CC2(C)C)[C@H](C)C1 ZINC000902447806 584604508 /nfs/dbraw/zinc/60/45/08/584604508.db2.gz VVJSTBOJIUJOHJ-FRRDWIJNSA-N 2 1 239.407 1.304 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000902450400 584606296 /nfs/dbraw/zinc/60/62/96/584606296.db2.gz RWTPPJJKMYPJLA-XQQFMLRXSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC2(C)C)CC[N@H+]1C ZINC000902449776 584606472 /nfs/dbraw/zinc/60/64/72/584606472.db2.gz QDURAGXNBVTIKL-GRYCIOLGSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cncs1 ZINC000902453452 584608193 /nfs/dbraw/zinc/60/81/93/584608193.db2.gz CZFGRCFHDIBQFE-VHSXEESVSA-N 2 1 225.361 1.936 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCCC[NH2+]1 ZINC000902454727 584608933 /nfs/dbraw/zinc/60/89/33/584608933.db2.gz UIQPQOBZIZAJEH-WVAOPEQGSA-N 2 1 236.359 1.282 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CCC(C)(C)C1 ZINC000902456385 584610311 /nfs/dbraw/zinc/61/03/11/584610311.db2.gz OMMUHHKQWYTZDT-QWHCGFSZSA-N 2 1 239.407 1.306 20 0 BDADMP c1cc(C[NH2+]C2CC[NH2+]CC2)cc2nonc12 ZINC000902458114 584610378 /nfs/dbraw/zinc/61/03/78/584610378.db2.gz TXHIYHBBVDFWFF-UHFFFAOYSA-N 2 1 232.287 1.064 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000902458469 584610754 /nfs/dbraw/zinc/61/07/54/584610754.db2.gz XZWKVUXLJFABJL-GFCCVEGCSA-N 2 1 239.407 1.448 20 0 BDADMP O[C@H](CC[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000902506667 584621767 /nfs/dbraw/zinc/62/17/67/584621767.db2.gz ZLBWNWLSYJLICU-OLZOCXBDSA-N 2 1 238.375 1.412 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C2CC2)c2ccccc21 ZINC000902506610 584621957 /nfs/dbraw/zinc/62/19/57/584621957.db2.gz YRBPOANGNRVYFC-RBSFLKMASA-N 2 1 246.354 1.882 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC[NH2+]2)[C@@H](C)O1 ZINC000902481733 584623836 /nfs/dbraw/zinc/62/38/36/584623836.db2.gz GHGJJMRYDAPYOT-LPWJVIDDSA-N 2 1 226.364 1.674 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1OC ZINC000903067370 584723421 /nfs/dbraw/zinc/72/34/21/584723421.db2.gz SEORFMNHNWIYRG-QWHCGFSZSA-N 2 1 244.379 1.112 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]2C)[C@H](C)C1 ZINC000903302884 584745412 /nfs/dbraw/zinc/74/54/12/584745412.db2.gz HJKBOWIGJPBIIA-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H]2C)[C@H](C)C1 ZINC000903302884 584745413 /nfs/dbraw/zinc/74/54/13/584745413.db2.gz HJKBOWIGJPBIIA-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H]2C)[C@H](C)C1 ZINC000903302884 584745414 /nfs/dbraw/zinc/74/54/14/584745414.db2.gz HJKBOWIGJPBIIA-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]2C)[C@H](C)C1 ZINC000903302884 584745415 /nfs/dbraw/zinc/74/54/15/584745415.db2.gz HJKBOWIGJPBIIA-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]2C)[C@H](C)C1 ZINC000903302884 584745416 /nfs/dbraw/zinc/74/54/16/584745416.db2.gz HJKBOWIGJPBIIA-ZOBORPQBSA-N 2 1 239.407 1.399 20 0 BDADMP CN1CC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316718 584750083 /nfs/dbraw/zinc/75/00/83/584750083.db2.gz QNMNUVMJQCSPDP-NEPJUHHUSA-N 2 1 225.380 1.153 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000903431067 584761820 /nfs/dbraw/zinc/76/18/20/584761820.db2.gz LBFLFIUNXYLITL-YNEHKIRRSA-N 2 1 248.374 1.717 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000903433090 584762191 /nfs/dbraw/zinc/76/21/91/584762191.db2.gz UCVHWDSTHRGHOS-DOMZBBRYSA-N 2 1 244.382 1.941 20 0 BDADMP NC[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903424868 584765193 /nfs/dbraw/zinc/76/51/93/584765193.db2.gz JTQWTQIPKHGDIS-CHWFTXMASA-N 2 1 230.302 1.701 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903424868 584765197 /nfs/dbraw/zinc/76/51/97/584765197.db2.gz JTQWTQIPKHGDIS-CHWFTXMASA-N 2 1 230.302 1.701 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903424868 584765199 /nfs/dbraw/zinc/76/51/99/584765199.db2.gz JTQWTQIPKHGDIS-CHWFTXMASA-N 2 1 230.302 1.701 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC000903460781 584766713 /nfs/dbraw/zinc/76/67/13/584766713.db2.gz HZWLLGBIGHNDPJ-AEGPPILISA-N 2 1 245.370 1.998 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903460013 584766715 /nfs/dbraw/zinc/76/67/15/584766715.db2.gz UDDYZIPCZCCHLO-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903460013 584766716 /nfs/dbraw/zinc/76/67/16/584766716.db2.gz UDDYZIPCZCCHLO-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1CCO ZINC000903463980 584767633 /nfs/dbraw/zinc/76/76/33/584767633.db2.gz VLKPZRLMCKXJOG-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP COC[C@H](C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000903464589 584771795 /nfs/dbraw/zinc/77/17/95/584771795.db2.gz SRAPFVQBMYUROL-BFHYXJOUSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903450340 584771934 /nfs/dbraw/zinc/77/19/34/584771934.db2.gz UGEJTQJGZOJRBF-NEPJUHHUSA-N 2 1 234.347 1.598 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CN1C ZINC000903454415 584773101 /nfs/dbraw/zinc/77/31/01/584773101.db2.gz BOOMMDSWPMSUFG-LPWJVIDDSA-N 2 1 225.380 1.138 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903454592 584773235 /nfs/dbraw/zinc/77/32/35/584773235.db2.gz DLXACHGKPMZAHA-SYQHCUMBSA-N 2 1 239.407 1.256 20 0 BDADMP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OC1CC1 ZINC000903454453 584773734 /nfs/dbraw/zinc/77/37/34/584773734.db2.gz ZWSXQYQELAFJEZ-TZMCWYRMSA-N 2 1 238.375 1.629 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000903455369 584774208 /nfs/dbraw/zinc/77/42/08/584774208.db2.gz VXMGPVUWCBEYEA-TUAOUCFPSA-N 2 1 214.353 1.327 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000903472910 584776386 /nfs/dbraw/zinc/77/63/86/584776386.db2.gz WSNAYMLWFZDKJQ-STQMWFEESA-N 2 1 238.375 1.676 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903475713 584776646 /nfs/dbraw/zinc/77/66/46/584776646.db2.gz BBJSBWMCBYBGMH-DGAVXFQQSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000903475713 584776647 /nfs/dbraw/zinc/77/66/47/584776647.db2.gz BBJSBWMCBYBGMH-DGAVXFQQSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000903476309 584777177 /nfs/dbraw/zinc/77/71/77/584777177.db2.gz UGXJDEFBVZWLFG-FVCCEPFGSA-N 2 1 240.416 1.527 20 0 BDADMP Cn1c[nH+]cc1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903481542 584778167 /nfs/dbraw/zinc/77/81/67/584778167.db2.gz FPIVZODFNMEHHX-CYBMUJFWSA-N 2 1 248.374 1.227 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903482158 584778489 /nfs/dbraw/zinc/77/84/89/584778489.db2.gz YPEFWNZPSVJSTA-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903482158 584778490 /nfs/dbraw/zinc/77/84/90/584778490.db2.gz YPEFWNZPSVJSTA-JHJVBQTASA-N 2 1 224.348 1.239 20 0 BDADMP FCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483707 584779278 /nfs/dbraw/zinc/77/92/78/584779278.db2.gz KLYOKCDFRFIUCW-SNVBAGLBSA-N 2 1 200.301 1.610 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1CC[NH3+] ZINC000903499734 584779966 /nfs/dbraw/zinc/77/99/66/584779966.db2.gz MUOREZJBFAIVKY-NXEZZACHSA-N 2 1 236.306 1.185 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903498665 584780332 /nfs/dbraw/zinc/78/03/32/584780332.db2.gz AHYNYSQLXJJHBA-HZSPNIEDSA-N 3 1 239.407 1.293 20 0 BDADMP CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903513084 584781394 /nfs/dbraw/zinc/78/13/94/584781394.db2.gz QNLLQWQIRRUKCR-OKILXGFUSA-N 2 1 237.391 1.297 20 0 BDADMP CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903513084 584781395 /nfs/dbraw/zinc/78/13/95/584781395.db2.gz QNLLQWQIRRUKCR-OKILXGFUSA-N 2 1 237.391 1.297 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cnn(CCF)c2)CC[C@H]1[NH3+] ZINC000903716733 584791722 /nfs/dbraw/zinc/79/17/22/584791722.db2.gz QXYKZFDTJGDYMX-ZYHUDNBSSA-N 2 1 240.326 1.022 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnn(CCF)c2)CC[C@H]1[NH3+] ZINC000903716733 584791724 /nfs/dbraw/zinc/79/17/24/584791724.db2.gz QXYKZFDTJGDYMX-ZYHUDNBSSA-N 2 1 240.326 1.022 20 0 BDADMP CC[N@@H+](CC1CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729914 584793168 /nfs/dbraw/zinc/79/31/68/584793168.db2.gz SNEOCYLGMWXTJK-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903730443 584793175 /nfs/dbraw/zinc/79/31/75/584793175.db2.gz WHFFVTWEJIZAGE-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000903752290 584795817 /nfs/dbraw/zinc/79/58/17/584795817.db2.gz MHAQJUABDLGAAF-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCOC[C@H]1C1CC1 ZINC000903752290 584795819 /nfs/dbraw/zinc/79/58/19/584795819.db2.gz MHAQJUABDLGAAF-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])O1 ZINC000903801677 584801917 /nfs/dbraw/zinc/80/19/17/584801917.db2.gz PAOWPLHVNUAHSL-AAVRWANBSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])O1 ZINC000903801677 584801920 /nfs/dbraw/zinc/80/19/20/584801920.db2.gz PAOWPLHVNUAHSL-AAVRWANBSA-N 2 1 238.375 1.757 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812622 584803569 /nfs/dbraw/zinc/80/35/69/584803569.db2.gz UUXIPDKBMFQJLJ-QWHCGFSZSA-N 2 1 240.391 1.741 20 0 BDADMP C[C@@H]1CSCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903829351 584805814 /nfs/dbraw/zinc/80/58/14/584805814.db2.gz DOHXCEPKLSUFAC-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP NC[C@@]12CC[C@@H]1CC[N@@H+]2Cc1cccc(N)c1 ZINC000903856060 584808991 /nfs/dbraw/zinc/80/89/91/584808991.db2.gz PMSSJUBCQFMLAI-OCCSQVGLSA-N 2 1 231.343 1.582 20 0 BDADMP NC[C@@]12CC[C@@H]1CC[N@H+]2Cc1cccc(N)c1 ZINC000903856060 584808992 /nfs/dbraw/zinc/80/89/92/584808992.db2.gz PMSSJUBCQFMLAI-OCCSQVGLSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903856060 584808994 /nfs/dbraw/zinc/80/89/94/584808994.db2.gz PMSSJUBCQFMLAI-OCCSQVGLSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903856060 584808995 /nfs/dbraw/zinc/80/89/95/584808995.db2.gz PMSSJUBCQFMLAI-OCCSQVGLSA-N 2 1 231.343 1.582 20 0 BDADMP NC[C@]12CC[C@@H]1CC[N@H+]2CC[C@@H]1CCCO1 ZINC000903856542 584809365 /nfs/dbraw/zinc/80/93/65/584809365.db2.gz ABOKYPBBFDCKFI-FRRDWIJNSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC[C@@H]1CCCO1 ZINC000903856542 584809367 /nfs/dbraw/zinc/80/93/67/584809367.db2.gz ABOKYPBBFDCKFI-FRRDWIJNSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC[C@@H]1CCCO1 ZINC000903856542 584809369 /nfs/dbraw/zinc/80/93/69/584809369.db2.gz ABOKYPBBFDCKFI-FRRDWIJNSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCC1CCC1 ZINC000903858190 584810113 /nfs/dbraw/zinc/81/01/13/584810113.db2.gz HLTSVVLVLCCKOH-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCC1CCC1 ZINC000903858190 584810114 /nfs/dbraw/zinc/81/01/14/584810114.db2.gz HLTSVVLVLCCKOH-QWHCGFSZSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCC1CCC1 ZINC000903858188 584810436 /nfs/dbraw/zinc/81/04/36/584810436.db2.gz HLTSVVLVLCCKOH-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCC1CCC1 ZINC000903858188 584810437 /nfs/dbraw/zinc/81/04/37/584810437.db2.gz HLTSVVLVLCCKOH-CHWSQXEVSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCC1CC1 ZINC000903860957 584812431 /nfs/dbraw/zinc/81/24/31/584812431.db2.gz VCOMBXNQAXNDDN-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCC1CC1 ZINC000903860957 584812432 /nfs/dbraw/zinc/81/24/32/584812432.db2.gz VCOMBXNQAXNDDN-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP NC[C@@]12CC[C@H]1CC[N@H+]2CCCCCC[NH3+] ZINC000903861431 584812531 /nfs/dbraw/zinc/81/25/31/584812531.db2.gz WWOTYSPEAKZDJG-STQMWFEESA-N 2 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861431 584812532 /nfs/dbraw/zinc/81/25/32/584812532.db2.gz WWOTYSPEAKZDJG-STQMWFEESA-N 3 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861431 584812533 /nfs/dbraw/zinc/81/25/33/584812533.db2.gz WWOTYSPEAKZDJG-STQMWFEESA-N 3 1 225.380 1.319 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC[C@H]1CCCCO1 ZINC000903861987 584812802 /nfs/dbraw/zinc/81/28/02/584812802.db2.gz ZTYZLDYGLQSZJL-BFHYXJOUSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC[C@H]1CCCCO1 ZINC000903861987 584812803 /nfs/dbraw/zinc/81/28/03/584812803.db2.gz ZTYZLDYGLQSZJL-BFHYXJOUSA-N 2 1 238.375 1.759 20 0 BDADMP COC[C@H](C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])C(C)C ZINC000903863643 584812865 /nfs/dbraw/zinc/81/28/65/584812865.db2.gz NZLZAYBDRCBPDP-BFHYXJOUSA-N 2 1 240.391 1.718 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])C(C)C ZINC000903863643 584812866 /nfs/dbraw/zinc/81/28/66/584812866.db2.gz NZLZAYBDRCBPDP-BFHYXJOUSA-N 2 1 240.391 1.718 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2C[C@@H](O)c1ccccc1 ZINC000903863420 584813121 /nfs/dbraw/zinc/81/31/21/584813121.db2.gz LVBOHLAJUKZXOP-KFWWJZLASA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2C[C@@H](O)c1ccccc1 ZINC000903863420 584813124 /nfs/dbraw/zinc/81/31/24/584813124.db2.gz LVBOHLAJUKZXOP-KFWWJZLASA-N 2 1 246.354 1.533 20 0 BDADMP CC1CC(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903864089 584813272 /nfs/dbraw/zinc/81/32/72/584813272.db2.gz QYMSSMUWJMNIPQ-TYUFSLCMSA-N 2 1 208.349 1.846 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903864089 584813273 /nfs/dbraw/zinc/81/32/73/584813273.db2.gz QYMSSMUWJMNIPQ-TYUFSLCMSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903870441 584814327 /nfs/dbraw/zinc/81/43/27/584814327.db2.gz HIWOVUOCLXVNEK-XQHKEYJVSA-N 2 1 240.416 1.527 20 0 BDADMP COC(=O)CCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871395 584815557 /nfs/dbraw/zinc/81/55/57/584815557.db2.gz UAEXBVIRJCMWQW-CYBMUJFWSA-N 2 1 240.347 1.158 20 0 BDADMP COC(=O)CCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871395 584815559 /nfs/dbraw/zinc/81/55/59/584815559.db2.gz UAEXBVIRJCMWQW-CYBMUJFWSA-N 2 1 240.347 1.158 20 0 BDADMP CCCC[N@H+](CCO)C[C@H]([NH3+])CC(F)F ZINC000903872037 584815620 /nfs/dbraw/zinc/81/56/20/584815620.db2.gz BQMVGWIZIJKGRM-SECBINFHSA-N 2 1 224.295 1.063 20 0 BDADMP CCCC[N@@H+](CCO)C[C@H]([NH3+])CC(F)F ZINC000903872037 584815621 /nfs/dbraw/zinc/81/56/21/584815621.db2.gz BQMVGWIZIJKGRM-SECBINFHSA-N 2 1 224.295 1.063 20 0 BDADMP C[C@@H]1[C@H](C)NCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873945 584816018 /nfs/dbraw/zinc/81/60/18/584816018.db2.gz OOMCYSUWHZMISF-PJIALRRASA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873945 584816020 /nfs/dbraw/zinc/81/60/20/584816020.db2.gz OOMCYSUWHZMISF-PJIALRRASA-N 2 1 237.391 1.199 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874248 584816226 /nfs/dbraw/zinc/81/62/26/584816226.db2.gz VYYOJEZEJOOPPW-RLAWYHOSSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895844 584819615 /nfs/dbraw/zinc/81/96/15/584819615.db2.gz QQOYONIGPMOBQR-ODWCKFRGSA-N 2 1 226.364 1.220 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903905373 584821018 /nfs/dbraw/zinc/82/10/18/584821018.db2.gz DDSLUXZEOVSUTI-NXEZZACHSA-N 3 1 235.322 1.030 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903905373 584821019 /nfs/dbraw/zinc/82/10/19/584821019.db2.gz DDSLUXZEOVSUTI-NXEZZACHSA-N 3 1 235.322 1.030 20 0 BDADMP N[C@H](CC(F)F)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903905373 584821020 /nfs/dbraw/zinc/82/10/20/584821020.db2.gz DDSLUXZEOVSUTI-NXEZZACHSA-N 2 1 235.322 1.030 20 0 BDADMP N[C@H](CC(F)F)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903905373 584821021 /nfs/dbraw/zinc/82/10/21/584821021.db2.gz DDSLUXZEOVSUTI-NXEZZACHSA-N 2 1 235.322 1.030 20 0 BDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1O ZINC000903909298 584821489 /nfs/dbraw/zinc/82/14/89/584821489.db2.gz SVNLAMKSCBTAMS-WYTNZGFTSA-N 2 1 238.375 1.220 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000903909611 584821605 /nfs/dbraw/zinc/82/16/05/584821605.db2.gz GJMSMSPGLFRCLH-OUAUKWLOSA-N 2 1 248.317 1.327 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000903909611 584821607 /nfs/dbraw/zinc/82/16/07/584821607.db2.gz GJMSMSPGLFRCLH-OUAUKWLOSA-N 2 1 248.317 1.327 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903915303 584821787 /nfs/dbraw/zinc/82/17/87/584821787.db2.gz AEZPUEMBNUESOE-HNNXBMFYSA-N 3 1 247.386 1.405 20 0 BDADMP CC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903912206 584822525 /nfs/dbraw/zinc/82/25/25/584822525.db2.gz BNMFNYKFELLIAB-HVUVFQHFSA-N 2 1 238.375 1.220 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C1CCOCC1 ZINC000903921832 584822985 /nfs/dbraw/zinc/82/29/85/584822985.db2.gz RDSOTIQXGXCSGF-SCZZXKLOSA-N 2 1 236.306 1.374 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903930070 584824401 /nfs/dbraw/zinc/82/44/01/584824401.db2.gz RFEHMBKFGDDNJM-DKUMPPAJSA-N 3 1 249.402 1.345 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903930070 584824403 /nfs/dbraw/zinc/82/44/03/584824403.db2.gz RFEHMBKFGDDNJM-DKUMPPAJSA-N 2 1 249.402 1.345 20 0 BDADMP C(N[C@H]1CC[NH2+]C12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935113 584825877 /nfs/dbraw/zinc/82/58/77/584825877.db2.gz NGNKMPSYTBNNOF-GSPSYOTPSA-N 2 1 249.402 1.391 20 0 BDADMP C[C@@H]1CN[C@@H](C)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917953 584826915 /nfs/dbraw/zinc/82/69/15/584826915.db2.gz PFODJWTZDCXGRX-PJIALRRASA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1C[NH2+][C@@H](C)CN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917953 584826917 /nfs/dbraw/zinc/82/69/17/584826917.db2.gz PFODJWTZDCXGRX-PJIALRRASA-N 2 1 237.391 1.199 20 0 BDADMP Cc1nn(C)c(Cl)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000903941325 584828971 /nfs/dbraw/zinc/82/89/71/584828971.db2.gz ZKBYNHHPEJDXES-UHFFFAOYSA-N 2 1 244.770 1.599 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000903955023 584831834 /nfs/dbraw/zinc/83/18/34/584831834.db2.gz YHPZPGZWOQVYFU-WDEREUQCSA-N 2 1 235.331 1.912 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000903964317 584833858 /nfs/dbraw/zinc/83/38/58/584833858.db2.gz JGDNIMKLILMOBP-UQOMUDLDSA-N 2 1 230.355 1.988 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccnc1Cl ZINC000903965155 584834743 /nfs/dbraw/zinc/83/47/43/584834743.db2.gz YCLNHSUMLKLXRK-KOLCDFICSA-N 2 1 239.750 1.680 20 0 BDADMP CCc1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903965177 584834778 /nfs/dbraw/zinc/83/47/78/584834778.db2.gz ZCGMZCRSMAMAGC-ZJUUUORDSA-N 2 1 239.388 1.651 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903986541 584835750 /nfs/dbraw/zinc/83/57/50/584835750.db2.gz LYIKAPZGZMLOCG-XQQFMLRXSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903986541 584835751 /nfs/dbraw/zinc/83/57/51/584835751.db2.gz LYIKAPZGZMLOCG-XQQFMLRXSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299536 584860784 /nfs/dbraw/zinc/86/07/84/584860784.db2.gz GYKAFDJMQGTYBW-ZDUSSCGKSA-N 2 1 246.354 1.792 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904306899 584861970 /nfs/dbraw/zinc/86/19/70/584861970.db2.gz GUKUSYKKERYSQG-BETUJISGSA-N 3 1 239.407 1.528 20 0 BDADMP CC(C)N1CCC([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904306899 584861972 /nfs/dbraw/zinc/86/19/72/584861972.db2.gz GUKUSYKKERYSQG-BETUJISGSA-N 2 1 239.407 1.528 20 0 BDADMP CC(C)N1CCC([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904306899 584861973 /nfs/dbraw/zinc/86/19/73/584861973.db2.gz GUKUSYKKERYSQG-BETUJISGSA-N 2 1 239.407 1.528 20 0 BDADMP C[N@H+](Cc1ccc(Cl)nc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306698 584862115 /nfs/dbraw/zinc/86/21/15/584862115.db2.gz CZUKCSHXIXOQOS-PHIMTYICSA-N 2 1 239.750 1.904 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccccc3)C2)C1 ZINC000904307772 584862588 /nfs/dbraw/zinc/86/25/88/584862588.db2.gz WBIXKWLSSVFDQY-CFVMTHIKSA-N 2 1 246.354 1.797 20 0 BDADMP CCOC(=O)C[N@@H+](CC(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309686 584863081 /nfs/dbraw/zinc/86/30/81/584863081.db2.gz PEHICBISWQSTKH-TXEJJXNPSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904321941 584864943 /nfs/dbraw/zinc/86/49/43/584864943.db2.gz KXNCWNHRFDHVNY-IHRRRGAJSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1nnc([C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)[nH]1 ZINC000904327573 584865220 /nfs/dbraw/zinc/86/52/20/584865220.db2.gz FPWCUXKJCBXQNM-UTUOFQBUSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904327573 584865221 /nfs/dbraw/zinc/86/52/21/584865221.db2.gz FPWCUXKJCBXQNM-UTUOFQBUSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904327573 584865222 /nfs/dbraw/zinc/86/52/22/584865222.db2.gz FPWCUXKJCBXQNM-UTUOFQBUSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1nc([C@@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n[nH]1 ZINC000904327573 584865223 /nfs/dbraw/zinc/86/52/23/584865223.db2.gz FPWCUXKJCBXQNM-UTUOFQBUSA-N 2 1 249.362 1.030 20 0 BDADMP Cc1nc([C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n[nH]1 ZINC000904327573 584865224 /nfs/dbraw/zinc/86/52/24/584865224.db2.gz FPWCUXKJCBXQNM-UTUOFQBUSA-N 2 1 249.362 1.030 20 0 BDADMP CCC[C@](C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(=O)OC ZINC000904328025 584865422 /nfs/dbraw/zinc/86/54/22/584865422.db2.gz LSMMGJATBAXBQT-UMNHJUIQSA-N 2 1 228.336 1.045 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904331754 584865841 /nfs/dbraw/zinc/86/58/41/584865841.db2.gz LHPOSULYCINRKK-XQQFMLRXSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904331754 584865843 /nfs/dbraw/zinc/86/58/43/584865843.db2.gz LHPOSULYCINRKK-XQQFMLRXSA-N 2 1 242.407 1.843 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904332577 584865856 /nfs/dbraw/zinc/86/58/56/584865856.db2.gz RXDDVOLJUBRIDT-XQQFMLRXSA-N 2 1 226.364 1.079 20 0 BDADMP Cn1c(Cl)cnc1C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329196 584866128 /nfs/dbraw/zinc/86/61/28/584866128.db2.gz MMHJSLZVUVKEGP-DTORHVGOSA-N 2 1 242.754 1.243 20 0 BDADMP Cn1c(Cl)cnc1C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329196 584866129 /nfs/dbraw/zinc/86/61/29/584866129.db2.gz MMHJSLZVUVKEGP-DTORHVGOSA-N 2 1 242.754 1.243 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904332865 584866221 /nfs/dbraw/zinc/86/62/21/584866221.db2.gz RXDDVOLJUBRIDT-YNEHKIRRSA-N 2 1 226.364 1.079 20 0 BDADMP Cc1ccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)nc1 ZINC000904341028 584867183 /nfs/dbraw/zinc/86/71/83/584867183.db2.gz IIKCBSDCLKIVPZ-TXEJJXNPSA-N 2 1 219.332 1.559 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCOC[C@@H]2c2ccccc2)C1 ZINC000904341557 584867214 /nfs/dbraw/zinc/86/72/14/584867214.db2.gz PFUOVXLJVCZSGN-VHDGCEQUSA-N 2 1 246.354 1.797 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340915 584867259 /nfs/dbraw/zinc/86/72/59/584867259.db2.gz NVXSRQIGLXFUIF-FQUUOJAGSA-N 3 1 239.407 1.528 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340915 584867260 /nfs/dbraw/zinc/86/72/60/584867260.db2.gz NVXSRQIGLXFUIF-FQUUOJAGSA-N 3 1 239.407 1.528 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340915 584867261 /nfs/dbraw/zinc/86/72/61/584867261.db2.gz NVXSRQIGLXFUIF-FQUUOJAGSA-N 3 1 239.407 1.528 20 0 BDADMP CCN1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340915 584867262 /nfs/dbraw/zinc/86/72/62/584867262.db2.gz NVXSRQIGLXFUIF-FQUUOJAGSA-N 2 1 239.407 1.528 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904340915 584867263 /nfs/dbraw/zinc/86/72/63/584867263.db2.gz NVXSRQIGLXFUIF-FQUUOJAGSA-N 2 1 239.407 1.528 20 0 BDADMP C[N@H+](CCCCO)C[C@H]([NH3+])CCC(C)(C)C ZINC000904341287 584867529 /nfs/dbraw/zinc/86/75/29/584867529.db2.gz MOKNLTNBWOFCML-GFCCVEGCSA-N 2 1 230.396 1.844 20 0 BDADMP C[N@@H+](CCCCO)C[C@H]([NH3+])CCC(C)(C)C ZINC000904341287 584867530 /nfs/dbraw/zinc/86/75/30/584867530.db2.gz MOKNLTNBWOFCML-GFCCVEGCSA-N 2 1 230.396 1.844 20 0 BDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343291 584867758 /nfs/dbraw/zinc/86/77/58/584867758.db2.gz SGMGBUMQYNNNIC-FHUSYTEZSA-N 2 1 226.364 1.205 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]3COCC[C@@H]32)C1 ZINC000904344973 584867798 /nfs/dbraw/zinc/86/77/98/584867798.db2.gz BZNZBLZPDRXRRG-RVMXOQNASA-N 2 1 224.348 1.225 20 0 BDADMP COCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[C@H](C)C1 ZINC000904346100 584868532 /nfs/dbraw/zinc/86/85/32/584868532.db2.gz QSCCUDUDNOFRKK-FQUUOJAGSA-N 2 1 240.391 1.861 20 0 BDADMP COC(=O)[C@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000904348774 584868964 /nfs/dbraw/zinc/86/89/64/584868964.db2.gz VEHYLPKVUMIIGO-GARJFASQSA-N 2 1 240.347 1.140 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C1CC(C[NH3+])C1)C1CCCCC1 ZINC000904352856 584869712 /nfs/dbraw/zinc/86/97/12/584869712.db2.gz DOYXRLPZOFXZLC-KGPNIALWSA-N 3 1 225.380 1.221 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000904353216 584869962 /nfs/dbraw/zinc/86/99/62/584869962.db2.gz IRSXKTNFSWIKSL-UHTWSYAYSA-N 3 1 225.380 1.221 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000904356715 584871488 /nfs/dbraw/zinc/87/14/88/584871488.db2.gz YLFVALPOIQRVLH-MNOVXSKESA-N 2 1 234.347 1.578 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000904358714 584872335 /nfs/dbraw/zinc/87/23/35/584872335.db2.gz ROBZAOMWFHWDME-YIYPIFLZSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](C3CCC3)C2)C1 ZINC000904374066 584874135 /nfs/dbraw/zinc/87/41/35/584874135.db2.gz ZJLHTKQFLGMTNN-RTXFEEFZSA-N 2 1 208.349 1.846 20 0 BDADMP C[C@@H](O)C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000904377059 584876139 /nfs/dbraw/zinc/87/61/39/584876139.db2.gz IRLUNJCKGGVWOV-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)C1(F)F ZINC000904380492 584876794 /nfs/dbraw/zinc/87/67/94/584876794.db2.gz MPSFRHREQKFZLJ-DTIDVZRVSA-N 2 1 232.318 1.947 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000904380156 584876872 /nfs/dbraw/zinc/87/68/72/584876872.db2.gz JIZUDONORIAXLR-LSDHHAIUSA-N 3 1 245.370 1.459 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000904380156 584876873 /nfs/dbraw/zinc/87/68/73/584876873.db2.gz JIZUDONORIAXLR-LSDHHAIUSA-N 3 1 245.370 1.459 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCC[NH2+]C1 ZINC000904385909 584877924 /nfs/dbraw/zinc/87/79/24/584877924.db2.gz JLZBVDZZQZZLTG-CRWXNKLISA-N 2 1 238.375 1.079 20 0 BDADMP CC(C)C[C@H](N)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904409704 584879117 /nfs/dbraw/zinc/87/91/17/584879117.db2.gz GQOCQHCGJLMQHP-XQQFMLRXSA-N 2 1 227.396 1.277 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904409704 584879118 /nfs/dbraw/zinc/87/91/18/584879118.db2.gz GQOCQHCGJLMQHP-XQQFMLRXSA-N 2 1 227.396 1.277 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412404 584879768 /nfs/dbraw/zinc/87/97/68/584879768.db2.gz VHSVDSQSNCJDTO-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC1CC(O)C1 ZINC000191895149 584883017 /nfs/dbraw/zinc/88/30/17/584883017.db2.gz NUNRXBYWRCVPKZ-UHFFFAOYSA-N 2 1 228.380 1.421 20 0 BDADMP CC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815146203 584973095 /nfs/dbraw/zinc/97/30/95/584973095.db2.gz NTTZNHZEOYWFBC-CYBMUJFWSA-N 2 1 224.348 1.383 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886841717 585184347 /nfs/dbraw/zinc/18/43/47/585184347.db2.gz TVQMDUWZBKQYKD-XQHKEYJVSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843057896 585336929 /nfs/dbraw/zinc/33/69/29/585336929.db2.gz NLRHBZVDAGCVGU-YPMHNXCESA-N 2 1 246.354 1.886 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)CCF)C[C@H]1C ZINC000759342292 585369276 /nfs/dbraw/zinc/36/92/76/585369276.db2.gz GUVJSPAATOGQIX-MNOVXSKESA-N 2 1 202.317 1.761 20 0 BDADMP C[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000761079508 585406573 /nfs/dbraw/zinc/40/65/73/585406573.db2.gz ZXMDERBLMWPIFG-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000761079508 585406574 /nfs/dbraw/zinc/40/65/74/585406574.db2.gz ZXMDERBLMWPIFG-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000761079508 585406575 /nfs/dbraw/zinc/40/65/75/585406575.db2.gz ZXMDERBLMWPIFG-UONOGXRCSA-N 2 1 239.407 1.497 20 0 BDADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000765850316 585493308 /nfs/dbraw/zinc/49/33/08/585493308.db2.gz XGQKDQBEUNYYLI-HIFRSBDPSA-N 2 1 248.370 1.494 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000766271871 585500280 /nfs/dbraw/zinc/50/02/80/585500280.db2.gz GTDXRIDGWBNNEH-BFHYXJOUSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1CCC[NH+]1CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000766271871 585500281 /nfs/dbraw/zinc/50/02/81/585500281.db2.gz GTDXRIDGWBNNEH-BFHYXJOUSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)COCCOC)CC1 ZINC000775412678 585677645 /nfs/dbraw/zinc/67/76/45/585677645.db2.gz WIHHCFGHOBKZRQ-GFCCVEGCSA-N 2 1 244.379 1.112 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CCO ZINC000779345183 585752058 /nfs/dbraw/zinc/75/20/58/585752058.db2.gz NPMKOBBVLIBBNM-GHMZBOCLSA-N 2 1 202.342 1.077 20 0 BDADMP C[C@H](CCO)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000779384792 585752692 /nfs/dbraw/zinc/75/26/92/585752692.db2.gz OBIVGNZGDQXWNW-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCO ZINC000779397339 585753400 /nfs/dbraw/zinc/75/34/00/585753400.db2.gz ADVJVLGWKBHXGP-QWRGUYRKSA-N 2 1 225.336 1.188 20 0 BDADMP CC1=C(C)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000796589135 586107780 /nfs/dbraw/zinc/10/77/80/586107780.db2.gz BWIZDLYIBYCYSZ-AWEZNQCLSA-N 2 1 238.375 1.485 20 0 BDADMP CC1=C(C)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000796589135 586107781 /nfs/dbraw/zinc/10/77/81/586107781.db2.gz BWIZDLYIBYCYSZ-AWEZNQCLSA-N 2 1 238.375 1.485 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC000798956747 586154073 /nfs/dbraw/zinc/15/40/73/586154073.db2.gz MJBBVOUCRDJULS-UHFFFAOYSA-N 2 1 248.374 1.718 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325731 586600231 /nfs/dbraw/zinc/60/02/31/586600231.db2.gz JSQOUWZVMVPRBV-RYUDHWBXSA-N 2 1 249.358 1.780 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817893027 586833955 /nfs/dbraw/zinc/83/39/55/586833955.db2.gz BNECAQXPKCMWPX-SOUVJXGZSA-N 2 1 248.370 1.840 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000817898559 586835056 /nfs/dbraw/zinc/83/50/56/586835056.db2.gz ITSCCBYGTDLBAH-GMTAPVOTSA-N 2 1 246.445 1.423 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817905989 586837317 /nfs/dbraw/zinc/83/73/17/586837317.db2.gz RPHYTTOCQHNENA-QJPTWQEYSA-N 2 1 214.353 1.124 20 0 BDADMP C[C@H]([NH2+]Cc1cccc2c1OCCO2)C1C[NH2+]C1 ZINC000817911346 586837948 /nfs/dbraw/zinc/83/79/48/586837948.db2.gz KLPJEYPYBIBUHM-JTQLQIEISA-N 2 1 248.326 1.155 20 0 BDADMP C[C@](O)(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccsc1 ZINC000817911507 586838647 /nfs/dbraw/zinc/83/86/47/586838647.db2.gz BSZYAMGKZCWWHT-WOPDTQHZSA-N 2 1 240.372 1.425 20 0 BDADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817926372 586840869 /nfs/dbraw/zinc/84/08/69/586840869.db2.gz HOUIESMCOILDPX-MCIONIFRSA-N 2 1 234.343 1.498 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1F ZINC000817926858 586841235 /nfs/dbraw/zinc/84/12/35/586841235.db2.gz AZBWSKCKDACFGJ-IUCAKERBSA-N 2 1 211.284 1.436 20 0 BDADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817926373 586841266 /nfs/dbraw/zinc/84/12/66/586841266.db2.gz HOUIESMCOILDPX-MJBXVCDLSA-N 2 1 234.343 1.498 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818984901 586920180 /nfs/dbraw/zinc/92/01/80/586920180.db2.gz MUABTTZSSVDASO-GXTWGEPZSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)C1CC1 ZINC000819100825 586930765 /nfs/dbraw/zinc/93/07/65/586930765.db2.gz JAMIIGAUIKXXJF-CYBMUJFWSA-N 2 1 237.347 1.332 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000841104341 587946475 /nfs/dbraw/zinc/94/64/75/587946475.db2.gz OYBWFYDXJQTKHJ-UHFFFAOYSA-N 2 1 234.343 1.758 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000841104341 587946477 /nfs/dbraw/zinc/94/64/77/587946477.db2.gz OYBWFYDXJQTKHJ-UHFFFAOYSA-N 2 1 234.343 1.758 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842475345 588028600 /nfs/dbraw/zinc/02/86/00/588028600.db2.gz PKEUGXPHIHRQKV-CQSZACIVSA-N 2 1 240.391 1.615 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000843047224 588076347 /nfs/dbraw/zinc/07/63/47/588076347.db2.gz KYJMCWBBEQTSEC-LBPRGKRZSA-N 2 1 244.342 1.505 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000843047224 588076348 /nfs/dbraw/zinc/07/63/48/588076348.db2.gz KYJMCWBBEQTSEC-LBPRGKRZSA-N 2 1 244.342 1.505 20 0 BDADMP CC(C)C[C@H](N)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843054894 588077693 /nfs/dbraw/zinc/07/76/93/588077693.db2.gz MMXNQIPPJSDYNB-CPCZMJQVSA-N 2 1 227.396 1.562 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)C1CCC([NH3+])CC1 ZINC000843054894 588077694 /nfs/dbraw/zinc/07/76/94/588077694.db2.gz MMXNQIPPJSDYNB-CPCZMJQVSA-N 2 1 227.396 1.562 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000843126180 588082487 /nfs/dbraw/zinc/08/24/87/588082487.db2.gz NVKPLBNDMRXQGQ-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000843129229 588082957 /nfs/dbraw/zinc/08/29/57/588082957.db2.gz ODOVNQMOPQKLCE-JGVFFNPUSA-N 2 1 244.770 1.597 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843119692 588083732 /nfs/dbraw/zinc/08/37/32/588083732.db2.gz CILOPWLQLCKRLQ-GFCCVEGCSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CC[N@H+]1C ZINC000843342417 588101611 /nfs/dbraw/zinc/10/16/11/588101611.db2.gz QLAILXKWLCADKH-QWHCGFSZSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CCN1C ZINC000843342417 588101612 /nfs/dbraw/zinc/10/16/12/588101612.db2.gz QLAILXKWLCADKH-QWHCGFSZSA-N 2 1 227.396 1.578 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])CC(C)(C)C[NH3+] ZINC000843355276 588102994 /nfs/dbraw/zinc/10/29/94/588102994.db2.gz PGSNAUPMBWUOHP-UHFFFAOYSA-N 3 1 229.412 1.812 20 0 BDADMP C[N@H+](CCCCCCC[NH3+])CC(C)(C)CN ZINC000843355276 588102996 /nfs/dbraw/zinc/10/29/96/588102996.db2.gz PGSNAUPMBWUOHP-UHFFFAOYSA-N 2 1 229.412 1.812 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])CC(C)(C)CN ZINC000843355276 588102998 /nfs/dbraw/zinc/10/29/98/588102998.db2.gz PGSNAUPMBWUOHP-UHFFFAOYSA-N 2 1 229.412 1.812 20 0 BDADMP CCCOC(=O)[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354931 588103244 /nfs/dbraw/zinc/10/32/44/588103244.db2.gz MFOVXFQHUJGJJP-UNXYVOJBSA-N 2 1 242.363 1.530 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000843383451 588105355 /nfs/dbraw/zinc/10/53/55/588105355.db2.gz WLSJCQIHNTYXIE-CYBMUJFWSA-N 2 1 227.396 1.566 20 0 BDADMP Cn1nccc1[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000844222122 588174131 /nfs/dbraw/zinc/17/41/31/588174131.db2.gz VNDGFKVDMQAZJS-STQMWFEESA-N 2 1 248.374 1.209 20 0 BDADMP CCc1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000844222971 588174417 /nfs/dbraw/zinc/17/44/17/588174417.db2.gz OXVBZCGMDXOEOA-UHFFFAOYSA-N 2 1 249.358 1.813 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000844297960 588181936 /nfs/dbraw/zinc/18/19/36/588181936.db2.gz VSXOCBDCQOMUDO-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP NC(=O)C[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846218011 588259731 /nfs/dbraw/zinc/25/97/31/588259731.db2.gz GJKGQXFZWOZFEZ-GFCCVEGCSA-N 2 1 241.379 1.235 20 0 BDADMP CC1(C)CNCC[N@H+]1CCCCCC[NH3+] ZINC000846217195 588260548 /nfs/dbraw/zinc/26/05/48/588260548.db2.gz CIRBRNMFCSLOFJ-UHFFFAOYSA-N 2 1 213.369 1.189 20 0 BDADMP CC1(C)C[NH2+]CCN1CCCCCC[NH3+] ZINC000846217195 588260549 /nfs/dbraw/zinc/26/05/49/588260549.db2.gz CIRBRNMFCSLOFJ-UHFFFAOYSA-N 2 1 213.369 1.189 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000846220712 588261129 /nfs/dbraw/zinc/26/11/29/588261129.db2.gz NGDCDBMEXBDEJE-BETUJISGSA-N 2 1 225.380 1.332 20 0 BDADMP [NH3+]CCCCCCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000846220712 588261130 /nfs/dbraw/zinc/26/11/30/588261130.db2.gz NGDCDBMEXBDEJE-BETUJISGSA-N 2 1 225.380 1.332 20 0 BDADMP C[C@H]1NCC[N@@H+](CCCCCC[NH3+])[C@H]1C ZINC000846220451 588261159 /nfs/dbraw/zinc/26/11/59/588261159.db2.gz PYIVQZVEUCTEKP-NEPJUHHUSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@H]1[NH2+]CCN(CCCCCC[NH3+])[C@H]1C ZINC000846220451 588261160 /nfs/dbraw/zinc/26/11/60/588261160.db2.gz PYIVQZVEUCTEKP-NEPJUHHUSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1C[C@@H]1C(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000848520003 588390922 /nfs/dbraw/zinc/39/09/22/588390922.db2.gz NXBRLMFAMORCNO-MNOVXSKESA-N 2 1 225.336 1.627 20 0 BDADMP Cc1noc([C@H](C)[N@H+](C)CCCCCC[NH3+])n1 ZINC000848599803 588401174 /nfs/dbraw/zinc/40/11/74/588401174.db2.gz DTGQOKPZRPXSGI-JTQLQIEISA-N 2 1 240.351 1.890 20 0 BDADMP Cc1noc([C@H](C)[N@@H+](C)CCCCCC[NH3+])n1 ZINC000848599803 588401176 /nfs/dbraw/zinc/40/11/76/588401176.db2.gz DTGQOKPZRPXSGI-JTQLQIEISA-N 2 1 240.351 1.890 20 0 BDADMP CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000848987177 588426167 /nfs/dbraw/zinc/42/61/67/588426167.db2.gz LIVFUOJJZPJNQD-WDEREUQCSA-N 2 1 226.368 1.241 20 0 BDADMP Cc1[nH+]ccn1CCCNC(=[NH2+])NC(C)C ZINC000848987507 588426407 /nfs/dbraw/zinc/42/64/07/588426407.db2.gz BUKWKLZQVMAFTH-UHFFFAOYSA-N 2 1 223.324 1.104 20 0 BDADMP CNC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000848989806 588426673 /nfs/dbraw/zinc/42/66/73/588426673.db2.gz BXIYNBOWXNUIBF-NSHDSACASA-N 2 1 226.368 1.242 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000848998963 588430106 /nfs/dbraw/zinc/43/01/06/588430106.db2.gz NDMFBJMTSVMVNP-LLVKDONJSA-N 2 1 228.384 1.629 20 0 BDADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])NC2CCCC2)C1 ZINC000849004390 588431800 /nfs/dbraw/zinc/43/18/00/588431800.db2.gz OPBBWVSETMWOOO-LLVKDONJSA-N 2 1 238.379 1.385 20 0 BDADMP CCN(CC)C(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004639 588432129 /nfs/dbraw/zinc/43/21/29/588432129.db2.gz SADCNPCWCIOAMK-NSHDSACASA-N 2 1 226.368 1.194 20 0 BDADMP Cc1ccc(NC(=[NH2+])NCC[NH+]2CCC2)cc1C ZINC000849014723 588436110 /nfs/dbraw/zinc/43/61/10/588436110.db2.gz WZOOLPQUGNRKKZ-UHFFFAOYSA-N 2 1 246.358 1.945 20 0 BDADMP [NH2+]=C(NCC[N@H+]1CC=CCC1)N1CCCCC1 ZINC000849024143 588439918 /nfs/dbraw/zinc/43/99/18/588439918.db2.gz AUILBFKOVMGYGX-UHFFFAOYSA-N 2 1 236.363 1.259 20 0 BDADMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)N1CCCCC1 ZINC000849024143 588439919 /nfs/dbraw/zinc/43/99/19/588439919.db2.gz AUILBFKOVMGYGX-UHFFFAOYSA-N 2 1 236.363 1.259 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849024277 588440005 /nfs/dbraw/zinc/44/00/05/588440005.db2.gz TUMXVSFVTZAIHJ-NSHDSACASA-N 2 1 240.395 1.629 20 0 BDADMP C[N@@H+](CCCCNC(=[NH2+])N1CCC1)C1CC1 ZINC000849039709 588447075 /nfs/dbraw/zinc/44/70/75/588447075.db2.gz OMXOILRCRYVMQK-UHFFFAOYSA-N 2 1 224.352 1.091 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041073 588447788 /nfs/dbraw/zinc/44/77/88/588447788.db2.gz JLIWJDWEVOYIQO-RYUDHWBXSA-N 2 1 240.395 1.631 20 0 BDADMP C[NH+](C)CCC1CC[NH+](Cc2cnon2)CC1 ZINC000851734072 588619955 /nfs/dbraw/zinc/61/99/55/588619955.db2.gz NSVDMYZQOGUROI-UHFFFAOYSA-N 2 1 238.335 1.233 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000851781867 588627826 /nfs/dbraw/zinc/62/78/26/588627826.db2.gz HCNCGPOBAKHPQP-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000851781867 588627827 /nfs/dbraw/zinc/62/78/27/588627827.db2.gz HCNCGPOBAKHPQP-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000851781867 588627828 /nfs/dbraw/zinc/62/78/28/588627828.db2.gz HCNCGPOBAKHPQP-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000851781867 588627829 /nfs/dbraw/zinc/62/78/29/588627829.db2.gz HCNCGPOBAKHPQP-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC000852009088 588654550 /nfs/dbraw/zinc/65/45/50/588654550.db2.gz YCVPPNRWMYRLAV-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CCc1nocc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000852741264 588698344 /nfs/dbraw/zinc/69/83/44/588698344.db2.gz PIEJHPWJFWLBED-UHFFFAOYSA-N 2 1 237.347 1.939 20 0 BDADMP CC1(C)CCCC[C@@H]1C[N@H+](CC[NH3+])CCO ZINC000852746600 588699164 /nfs/dbraw/zinc/69/91/64/588699164.db2.gz LXKKACJLIWZZQB-GFCCVEGCSA-N 2 1 228.380 1.456 20 0 BDADMP CC1(C)CCCC[C@@H]1C[N@@H+](CC[NH3+])CCO ZINC000852746600 588699165 /nfs/dbraw/zinc/69/91/65/588699165.db2.gz LXKKACJLIWZZQB-GFCCVEGCSA-N 2 1 228.380 1.456 20 0 BDADMP CC(=O)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852760494 588700508 /nfs/dbraw/zinc/70/05/08/588700508.db2.gz GSPQHJRGTBKDJS-CYBMUJFWSA-N 2 1 242.363 1.008 20 0 BDADMP CC(=O)CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852760494 588700509 /nfs/dbraw/zinc/70/05/09/588700509.db2.gz GSPQHJRGTBKDJS-CYBMUJFWSA-N 2 1 242.363 1.008 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC000863482869 589292647 /nfs/dbraw/zinc/29/26/47/589292647.db2.gz MJZZRULJXRPQPR-MNOVXSKESA-N 2 1 210.321 1.040 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000863569534 589300513 /nfs/dbraw/zinc/30/05/13/589300513.db2.gz YESJIRMYAULOMH-LLVKDONJSA-N 3 1 213.369 1.045 20 0 BDADMP C[C@@H]([NH3+])CN(C)CCCC1CC[NH2+]CC1 ZINC000863569534 589300515 /nfs/dbraw/zinc/30/05/15/589300515.db2.gz YESJIRMYAULOMH-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP C[C@@H](N)C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000863569534 589300517 /nfs/dbraw/zinc/30/05/17/589300517.db2.gz YESJIRMYAULOMH-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP C[C@@H](N)C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000863569534 589300519 /nfs/dbraw/zinc/30/05/19/589300519.db2.gz YESJIRMYAULOMH-LLVKDONJSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=[NH2+])NCCC1CC1 ZINC000864456051 589366818 /nfs/dbraw/zinc/36/68/18/589366818.db2.gz BRRPDXCQGAYFTM-UHFFFAOYSA-N 2 1 226.368 1.241 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000864458215 589367824 /nfs/dbraw/zinc/36/78/24/589367824.db2.gz YPHDGEUUGRXOOH-UHFFFAOYSA-N 2 1 226.368 1.383 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000864458215 589367826 /nfs/dbraw/zinc/36/78/26/589367826.db2.gz YPHDGEUUGRXOOH-UHFFFAOYSA-N 2 1 226.368 1.383 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000864459069 589368313 /nfs/dbraw/zinc/36/83/13/589368313.db2.gz ZSOSUDIXFBNXKM-LLVKDONJSA-N 2 1 240.395 1.631 20 0 BDADMP CCC(CC)NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000864463818 589370048 /nfs/dbraw/zinc/37/00/48/589370048.db2.gz KXEDOMJUOVYIJG-NSHDSACASA-N 2 1 249.362 1.500 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864468836 589372522 /nfs/dbraw/zinc/37/25/22/589372522.db2.gz JHHORLZXMIAELS-NEPJUHHUSA-N 2 1 240.395 1.487 20 0 BDADMP C[N@H+]1CC=C(C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865522923 589442666 /nfs/dbraw/zinc/44/26/66/589442666.db2.gz WVTWDFHHLQBYIO-UHFFFAOYSA-N 2 1 246.358 1.570 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865522923 589442669 /nfs/dbraw/zinc/44/26/69/589442669.db2.gz WVTWDFHHLQBYIO-UHFFFAOYSA-N 2 1 246.358 1.570 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866204824 589480267 /nfs/dbraw/zinc/48/02/67/589480267.db2.gz GNNBCWNLCLUBOL-CHWSQXEVSA-N 2 1 231.343 1.920 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866204824 589480268 /nfs/dbraw/zinc/48/02/68/589480268.db2.gz GNNBCWNLCLUBOL-CHWSQXEVSA-N 2 1 231.343 1.920 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583630 589501575 /nfs/dbraw/zinc/50/15/75/589501575.db2.gz DAKWRRUCETWUCL-AVGNSLFASA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583630 589501577 /nfs/dbraw/zinc/50/15/77/589501577.db2.gz DAKWRRUCETWUCL-AVGNSLFASA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583630 589501579 /nfs/dbraw/zinc/50/15/79/589501579.db2.gz DAKWRRUCETWUCL-AVGNSLFASA-N 2 1 226.364 1.437 20 0 BDADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583630 589501581 /nfs/dbraw/zinc/50/15/81/589501581.db2.gz DAKWRRUCETWUCL-AVGNSLFASA-N 2 1 226.364 1.437 20 0 BDADMP COCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705033 589514386 /nfs/dbraw/zinc/51/43/86/589514386.db2.gz RWYLRAZPMIOOJU-LBPRGKRZSA-N 2 1 214.353 1.330 20 0 BDADMP Cn1c[nH+]cc1CCCN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866724263 589515649 /nfs/dbraw/zinc/51/56/49/589515649.db2.gz MKPAMYANHADQQX-KGLIPLIRSA-N 2 1 248.374 1.179 20 0 BDADMP C[C@H]([NH3+])CC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867998574 589543231 /nfs/dbraw/zinc/54/32/31/589543231.db2.gz DKLMZWBJSKRJBS-GXFFZTMASA-N 2 1 247.342 1.027 20 0 BDADMP C[C@H]([NH3+])CC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867998574 589543233 /nfs/dbraw/zinc/54/32/33/589543233.db2.gz DKLMZWBJSKRJBS-GXFFZTMASA-N 2 1 247.342 1.027 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141797 589882418 /nfs/dbraw/zinc/88/24/18/589882418.db2.gz TYXHQJXPBWBLBX-NEPJUHHUSA-N 2 1 224.348 1.226 20 0 BDADMP NCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157553 589886121 /nfs/dbraw/zinc/88/61/21/589886121.db2.gz PPCXTHRXTKRYHE-JSGCOSHPSA-N 2 1 239.407 1.565 20 0 BDADMP NCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157553 589886119 /nfs/dbraw/zinc/88/61/19/589886119.db2.gz PPCXTHRXTKRYHE-JSGCOSHPSA-N 2 1 239.407 1.565 20 0 BDADMP C[N@@H+](CCNc1cc[nH+]cc1C1CC1)C1CC1 ZINC000872421608 589938560 /nfs/dbraw/zinc/93/85/60/589938560.db2.gz QEQODHWWSCPZIU-UHFFFAOYSA-N 2 1 231.343 1.887 20 0 BDADMP CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000873215246 589997982 /nfs/dbraw/zinc/99/79/82/589997982.db2.gz BOSXQUGZEJGJKO-AAVRWANBSA-N 2 1 240.391 1.718 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000873218967 589998905 /nfs/dbraw/zinc/99/89/05/589998905.db2.gz BHRRUNHBZLMNET-HZSPNIEDSA-N 2 1 239.407 1.386 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccnn1C ZINC000873223551 590000278 /nfs/dbraw/zinc/00/02/78/590000278.db2.gz QIMOWBSYWUHJBL-WOPDTQHZSA-N 2 1 236.363 1.601 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234028 590003454 /nfs/dbraw/zinc/00/34/54/590003454.db2.gz BFYLAGHYTPBCHU-CHWSQXEVSA-N 2 1 242.407 1.905 20 0 BDADMP Cn1ccc(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000873231358 590003516 /nfs/dbraw/zinc/00/35/16/590003516.db2.gz HBEWACJOMKEXHO-UHFFFAOYSA-N 2 1 223.364 1.976 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873235639 590004130 /nfs/dbraw/zinc/00/41/30/590004130.db2.gz QXOXXWIMIVPZOB-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873235636 590004840 /nfs/dbraw/zinc/00/48/40/590004840.db2.gz QXOXXWIMIVPZOB-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000873239594 590005348 /nfs/dbraw/zinc/00/53/48/590005348.db2.gz YRQDRCXQFSYVPV-GVXVVHGQSA-N 2 1 248.374 1.894 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000873258190 590012133 /nfs/dbraw/zinc/01/21/33/590012133.db2.gz NUTDJRLHINSUDI-CYDGBPFRSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000873258190 590012135 /nfs/dbraw/zinc/01/21/35/590012135.db2.gz NUTDJRLHINSUDI-CYDGBPFRSA-N 2 1 225.380 1.044 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnn1C ZINC000873276224 590017489 /nfs/dbraw/zinc/01/74/89/590017489.db2.gz RVDYDGOKEJUSOL-YIBTVLSRSA-N 2 1 234.347 1.354 20 0 BDADMP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873280426 590017786 /nfs/dbraw/zinc/01/77/86/590017786.db2.gz AOMGOVBVSCMBQF-DGTMBMJNSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1c[nH+]ccc1N ZINC000873281434 590018405 /nfs/dbraw/zinc/01/84/05/590018405.db2.gz IXPORRZEQAOEQF-QWRGUYRKSA-N 2 1 249.358 1.960 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCC2OCCO2)CC[N@@H+]1C ZINC000124550672 590049900 /nfs/dbraw/zinc/04/99/00/590049900.db2.gz YQPUMNZRBBAQOD-RYUDHWBXSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCC2OCCO2)CC[N@H+]1C ZINC000124550672 590049901 /nfs/dbraw/zinc/04/99/01/590049901.db2.gz YQPUMNZRBBAQOD-RYUDHWBXSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCC2OCCO2)CC[NH+]1C ZINC000124550672 590049905 /nfs/dbraw/zinc/04/99/05/590049905.db2.gz YQPUMNZRBBAQOD-RYUDHWBXSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2OCCO2)CC[NH+]1C ZINC000124550672 590049908 /nfs/dbraw/zinc/04/99/08/590049908.db2.gz YQPUMNZRBBAQOD-RYUDHWBXSA-N 2 1 242.363 1.164 20 0 BDADMP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000876723171 590233521 /nfs/dbraw/zinc/23/35/21/590233521.db2.gz OPKPKMPFNRUYFU-WOPDTQHZSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)[NH3+])C[C@H]1C ZINC000876771391 590239660 /nfs/dbraw/zinc/23/96/60/590239660.db2.gz RAKLQKVZCPBHIB-IJLUTSLNSA-N 2 1 241.379 1.055 20 0 BDADMP CCSCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738235 590404968 /nfs/dbraw/zinc/40/49/68/590404968.db2.gz ATFLWCNTXBKEFQ-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738235 590404970 /nfs/dbraw/zinc/40/49/70/590404970.db2.gz ATFLWCNTXBKEFQ-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877738235 590404973 /nfs/dbraw/zinc/40/49/73/590404973.db2.gz ATFLWCNTXBKEFQ-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP CCSCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738235 590404974 /nfs/dbraw/zinc/40/49/74/590404974.db2.gz ATFLWCNTXBKEFQ-NWDGAFQWSA-N 2 1 228.405 1.766 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740197 590406544 /nfs/dbraw/zinc/40/65/44/590406544.db2.gz IZNRYHIWUBCHTL-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740197 590406548 /nfs/dbraw/zinc/40/65/48/590406548.db2.gz IZNRYHIWUBCHTL-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740197 590406551 /nfs/dbraw/zinc/40/65/51/590406551.db2.gz IZNRYHIWUBCHTL-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCSC3)CC[C@@H]21 ZINC000877743876 590410353 /nfs/dbraw/zinc/41/03/53/590410353.db2.gz YRUNOKSTOOLJES-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCSC3)CC[C@@H]21 ZINC000877743876 590410356 /nfs/dbraw/zinc/41/03/56/590410356.db2.gz YRUNOKSTOOLJES-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCSC3)CC[C@@H]21 ZINC000877743876 590410357 /nfs/dbraw/zinc/41/03/57/590410357.db2.gz YRUNOKSTOOLJES-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCSC3)CC[C@@H]21 ZINC000877743876 590410360 /nfs/dbraw/zinc/41/03/60/590410360.db2.gz YRUNOKSTOOLJES-XQQFMLRXSA-N 2 1 240.416 1.766 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877743481 590410740 /nfs/dbraw/zinc/41/07/40/590410740.db2.gz WGQPEGDZYBIFOT-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000877743481 590410741 /nfs/dbraw/zinc/41/07/41/590410741.db2.gz WGQPEGDZYBIFOT-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@](C)(C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000877743481 590410742 /nfs/dbraw/zinc/41/07/42/590410742.db2.gz WGQPEGDZYBIFOT-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2C[C@@H](OC)C2)CC1 ZINC000878165024 590512522 /nfs/dbraw/zinc/51/25/22/590512522.db2.gz RRLPSCOCXLCEDK-XBXGTLAGSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H](OC)C2)CC1 ZINC000878165024 590512524 /nfs/dbraw/zinc/51/25/24/590512524.db2.gz RRLPSCOCXLCEDK-XBXGTLAGSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@H](O)C(C)C)CC1 ZINC000878165257 590512866 /nfs/dbraw/zinc/51/28/66/590512866.db2.gz WZIUTTZVGPBHTE-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@H](O)C(C)C)CC1 ZINC000878165257 590512870 /nfs/dbraw/zinc/51/28/70/590512870.db2.gz WZIUTTZVGPBHTE-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000878645073 590600348 /nfs/dbraw/zinc/60/03/48/590600348.db2.gz HIJXSLJPRWSZOR-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572772 590808421 /nfs/dbraw/zinc/80/84/21/590808421.db2.gz ZZUFRIVTQHJZIO-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572772 590808424 /nfs/dbraw/zinc/80/84/24/590808424.db2.gz ZZUFRIVTQHJZIO-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572772 590808427 /nfs/dbraw/zinc/80/84/27/590808427.db2.gz ZZUFRIVTQHJZIO-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572772 590808430 /nfs/dbraw/zinc/80/84/30/590808430.db2.gz ZZUFRIVTQHJZIO-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CC3)CC[C@H]21 ZINC000879573755 590811718 /nfs/dbraw/zinc/81/17/18/590811718.db2.gz QWJXWJANJWPUAJ-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC000879573755 590811720 /nfs/dbraw/zinc/81/17/20/590811720.db2.gz QWJXWJANJWPUAJ-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC000879573755 590811721 /nfs/dbraw/zinc/81/17/21/590811721.db2.gz QWJXWJANJWPUAJ-CHWSQXEVSA-N 2 1 208.349 1.813 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCCO)CC[C@H]21 ZINC000879573827 590812478 /nfs/dbraw/zinc/81/24/78/590812478.db2.gz SGVWLLHBMVPAEY-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCCO)CC[C@H]21 ZINC000879573827 590812480 /nfs/dbraw/zinc/81/24/80/590812480.db2.gz SGVWLLHBMVPAEY-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCCO)CC[C@H]21 ZINC000879573827 590812482 /nfs/dbraw/zinc/81/24/82/590812482.db2.gz SGVWLLHBMVPAEY-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCCO)CC[C@H]21 ZINC000879573827 590812484 /nfs/dbraw/zinc/81/24/84/590812484.db2.gz SGVWLLHBMVPAEY-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCCO)CC[C@@H]21 ZINC000879573825 590813359 /nfs/dbraw/zinc/81/33/59/590813359.db2.gz SGVWLLHBMVPAEY-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCCO)CC[C@@H]21 ZINC000879573825 590813362 /nfs/dbraw/zinc/81/33/62/590813362.db2.gz SGVWLLHBMVPAEY-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCCO)CC[C@@H]21 ZINC000879573825 590813364 /nfs/dbraw/zinc/81/33/64/590813364.db2.gz SGVWLLHBMVPAEY-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCCO)CC[C@@H]21 ZINC000879573825 590813366 /nfs/dbraw/zinc/81/33/66/590813366.db2.gz SGVWLLHBMVPAEY-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCO1 ZINC000879578688 590817884 /nfs/dbraw/zinc/81/78/84/590817884.db2.gz GMMFORGDTAEWGF-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCO1 ZINC000879578688 590817888 /nfs/dbraw/zinc/81/78/88/590817888.db2.gz GMMFORGDTAEWGF-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCO1 ZINC000879578688 590817889 /nfs/dbraw/zinc/81/78/89/590817889.db2.gz GMMFORGDTAEWGF-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCO1 ZINC000879578688 590817893 /nfs/dbraw/zinc/81/78/93/590817893.db2.gz GMMFORGDTAEWGF-RQJABVFESA-N 2 1 238.375 1.580 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578616 590819021 /nfs/dbraw/zinc/81/90/21/590819021.db2.gz FZHFTUVJLJFSLP-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578616 590819023 /nfs/dbraw/zinc/81/90/23/590819023.db2.gz FZHFTUVJLJFSLP-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578616 590819026 /nfs/dbraw/zinc/81/90/26/590819026.db2.gz FZHFTUVJLJFSLP-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP COCC1([N@H+](C)CCn2cc[nH+]c2C)CCC1 ZINC000880185663 590954352 /nfs/dbraw/zinc/95/43/52/590954352.db2.gz XZYYQSBVKUWUJP-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP COCC1([N@@H+](C)CCn2cc[nH+]c2C)CCC1 ZINC000880185663 590954354 /nfs/dbraw/zinc/95/43/54/590954354.db2.gz XZYYQSBVKUWUJP-UHFFFAOYSA-N 2 1 237.347 1.692 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258564 590979184 /nfs/dbraw/zinc/97/91/84/590979184.db2.gz IPYXCKLOTCUJME-GXTWGEPZSA-N 2 1 249.358 1.363 20 0 BDADMP COC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259711 590980586 /nfs/dbraw/zinc/98/05/86/590980586.db2.gz ZNZWPALFQOLHSA-QWHCGFSZSA-N 2 1 249.358 1.627 20 0 BDADMP Cn1cncc1CCC[N@H+]1CC[C@H](CF)C1 ZINC000880299753 590995644 /nfs/dbraw/zinc/99/56/44/590995644.db2.gz LBPDOGBHQSJSRZ-LLVKDONJSA-N 2 1 225.311 1.644 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CF)C1 ZINC000880299753 590995649 /nfs/dbraw/zinc/99/56/49/590995649.db2.gz LBPDOGBHQSJSRZ-LLVKDONJSA-N 2 1 225.311 1.644 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CF)C1 ZINC000880299753 590995650 /nfs/dbraw/zinc/99/56/50/590995650.db2.gz LBPDOGBHQSJSRZ-LLVKDONJSA-N 2 1 225.311 1.644 20 0 BDADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CCCO2)CC1 ZINC000880469967 591051571 /nfs/dbraw/zinc/05/15/71/591051571.db2.gz FOSUTQNKDZBAJE-CYBMUJFWSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@@H+](C/C=C\Cl)C1CCC([NH3+])CC1 ZINC000211492838 591177745 /nfs/dbraw/zinc/17/77/45/591177745.db2.gz RAUNPALCOBHGGX-UQCOIBPSSA-N 2 1 202.729 1.941 20 0 BDADMP COC(=O)c1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000130267961 591453338 /nfs/dbraw/zinc/45/33/38/591453338.db2.gz GHUJQUKVTJHCMA-NSHDSACASA-N 2 1 248.326 1.254 20 0 BDADMP COC(=O)c1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000130267961 591453339 /nfs/dbraw/zinc/45/33/39/591453339.db2.gz GHUJQUKVTJHCMA-NSHDSACASA-N 2 1 248.326 1.254 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@@H](C)C1 ZINC000883321106 591615710 /nfs/dbraw/zinc/61/57/10/591615710.db2.gz LNTMBCDWYOQIQA-IGQOVBAYSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCCOC(F)(F)F)C1CC1 ZINC000883418449 591654104 /nfs/dbraw/zinc/65/41/04/591654104.db2.gz IQIWMZPOMAWGIJ-SECBINFHSA-N 2 1 240.269 1.630 20 0 BDADMP Cn1cncc1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000883428186 591660341 /nfs/dbraw/zinc/66/03/41/591660341.db2.gz NOZFABQDYABUOP-CQSZACIVSA-N 2 1 248.374 1.038 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000883442651 591670089 /nfs/dbraw/zinc/67/00/89/591670089.db2.gz PPYUCSMWJURXDX-NXEZZACHSA-N 2 1 239.750 1.950 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217504934 592116933 /nfs/dbraw/zinc/11/69/33/592116933.db2.gz WYORQDPAPJCERW-RYUDHWBXSA-N 2 1 219.332 1.813 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(CC(OC)OC)C1 ZINC000136777926 592149865 /nfs/dbraw/zinc/14/98/65/592149865.db2.gz VOIZLZOKUHBUHA-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP CCC[N@H+](C)C[C@H]1CC[NH+](CC(OC)OC)C1 ZINC000136777926 592149866 /nfs/dbraw/zinc/14/98/66/592149866.db2.gz VOIZLZOKUHBUHA-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(OC)OC)C1 ZINC000136777926 592149867 /nfs/dbraw/zinc/14/98/67/592149867.db2.gz VOIZLZOKUHBUHA-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC(OC)OC)C1 ZINC000136777926 592149868 /nfs/dbraw/zinc/14/98/68/592149868.db2.gz VOIZLZOKUHBUHA-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(OC)OC)C1 ZINC000136777926 592149869 /nfs/dbraw/zinc/14/98/69/592149869.db2.gz VOIZLZOKUHBUHA-GFCCVEGCSA-N 2 1 244.379 1.269 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886839960 592359942 /nfs/dbraw/zinc/35/99/42/592359942.db2.gz PSHWZNKMOSQZAH-DHGKCCLASA-N 2 1 238.375 1.389 20 0 BDADMP N[C@@H]1C[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)CC[C@H]1F ZINC000886841158 592360265 /nfs/dbraw/zinc/36/02/65/592360265.db2.gz DISJWWMMZQRQCC-FDYHWXHSSA-N 2 1 242.338 1.315 20 0 BDADMP N[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC[C@H]1F ZINC000886841159 592361027 /nfs/dbraw/zinc/36/10/27/592361027.db2.gz DISJWWMMZQRQCC-LOWDOPEQSA-N 2 1 242.338 1.315 20 0 BDADMP COCCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873956 592377151 /nfs/dbraw/zinc/37/71/51/592377151.db2.gz CIWXNGBSQKRUSP-ZDUSSCGKSA-N 2 1 226.364 1.489 20 0 BDADMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887348758 592484748 /nfs/dbraw/zinc/48/47/48/592484748.db2.gz WCIKRULCSVKTOA-NSHDSACASA-N 2 1 238.379 1.242 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NCC(F)F ZINC000887348826 592485393 /nfs/dbraw/zinc/48/53/93/592485393.db2.gz YTEDEZGSAHUGIG-SECBINFHSA-N 2 1 248.321 1.240 20 0 BDADMP Cn1nccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300064745 592502620 /nfs/dbraw/zinc/50/26/20/592502620.db2.gz MMPSGKNJRDOAKP-JSGCOSHPSA-N 2 1 248.374 1.179 20 0 BDADMP C[C@H]1C[N@H+](CCSC(F)(F)F)CC[C@@H]1[NH3+] ZINC000123629202 592714612 /nfs/dbraw/zinc/71/46/12/592714612.db2.gz AONWDBIYWIUCGW-YUMQZZPRSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@H]1C[N@@H+](CCSC(F)(F)F)CC[C@@H]1[NH3+] ZINC000123629202 592714614 /nfs/dbraw/zinc/71/46/14/592714614.db2.gz AONWDBIYWIUCGW-YUMQZZPRSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1(F)F ZINC000925707371 634391256 /nfs/dbraw/zinc/39/12/56/634391256.db2.gz IATMYEGCETUCKL-WCBMZHEXSA-N 2 1 218.291 1.762 20 0 BDADMP Cc1cncc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)n1 ZINC000925707612 634396918 /nfs/dbraw/zinc/39/69/18/634396918.db2.gz PHIKZXSIODPSLY-AAEUAGOBSA-N 2 1 234.347 1.058 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C ZINC000299911463 634398590 /nfs/dbraw/zinc/39/85/90/634398590.db2.gz MSPWSZALLZWYSW-QNWHQSFQSA-N 2 1 226.364 1.471 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925708246 634399245 /nfs/dbraw/zinc/39/92/45/634399245.db2.gz REBWWOABXNGTOX-VXGBXAGGSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)O1 ZINC000299996642 634405861 /nfs/dbraw/zinc/40/58/61/634405861.db2.gz RVXLTDWZUZCOTI-UMSGYPCISA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925714158 634420827 /nfs/dbraw/zinc/42/08/27/634420827.db2.gz WBPOPHQYFSUTMI-DCAQKATOSA-N 2 1 226.389 1.755 20 0 BDADMP C[N@@H+](CCCC[NH2+]C1CSC1)C1CC1 ZINC000651599748 634445860 /nfs/dbraw/zinc/44/58/60/634445860.db2.gz FLOOUASAFYCPQG-UHFFFAOYSA-N 2 1 214.378 1.566 20 0 BDADMP Cc1cn(C)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257700074 634473749 /nfs/dbraw/zinc/47/37/49/634473749.db2.gz PVUISJLYDHXNDF-UHFFFAOYSA-N 2 1 248.374 1.304 20 0 BDADMP C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000257771706 634496864 /nfs/dbraw/zinc/49/68/64/634496864.db2.gz DAOVUABLGMWXHZ-ZDUSSCGKSA-N 2 1 227.396 1.258 20 0 BDADMP C[C@@H]([NH2+]CCc1ccns1)c1c[nH+]ccc1N ZINC000925729924 634554277 /nfs/dbraw/zinc/55/42/77/634554277.db2.gz BBHVRRMSZXOHDR-SECBINFHSA-N 2 1 248.355 1.844 20 0 BDADMP OCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000224780593 635395840 /nfs/dbraw/zinc/39/58/40/635395840.db2.gz LWHDFAATPMXIRW-UONOGXRCSA-N 2 1 240.391 1.756 20 0 BDADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000231026202 635494619 /nfs/dbraw/zinc/49/46/19/635494619.db2.gz SGEALWIVQDCTEL-NWDGAFQWSA-N 2 1 228.380 1.874 20 0 BDADMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000107830175 635486750 /nfs/dbraw/zinc/48/67/50/635486750.db2.gz CZBHGXOQQSNSSI-WDEREUQCSA-N 2 1 247.346 1.406 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000123455963 635514644 /nfs/dbraw/zinc/51/46/44/635514644.db2.gz GANIYAZILFWTOJ-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCCCO)CC[C@@H]1[NH3+] ZINC000233909397 635545299 /nfs/dbraw/zinc/54/52/99/635545299.db2.gz VCHLNCUGOOMGCH-OLZOCXBDSA-N 2 1 228.380 1.598 20 0 BDADMP CCc1onc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925891154 635616658 /nfs/dbraw/zinc/61/66/58/635616658.db2.gz SXHGKLPLVCEUCK-STQMWFEESA-N 2 1 249.358 1.905 20 0 BDADMP c1ccc2c(c1)CC[C@H]2[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090319962 631245411 /nfs/dbraw/zinc/24/54/11/631245411.db2.gz PDMSULQHSGZRPK-VNHYZAJKSA-N 2 1 228.339 1.825 20 0 BDADMP Cl/C=C\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000308427326 631283986 /nfs/dbraw/zinc/28/39/86/631283986.db2.gz ZPMUIJYYQZKUCC-OWPBXUSHSA-N 2 1 214.740 1.955 20 0 BDADMP Cl/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000308427326 631283988 /nfs/dbraw/zinc/28/39/88/631283988.db2.gz ZPMUIJYYQZKUCC-OWPBXUSHSA-N 2 1 214.740 1.955 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000334979406 631338766 /nfs/dbraw/zinc/33/87/66/631338766.db2.gz GSODKGQSRNZBAV-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000334979406 631338772 /nfs/dbraw/zinc/33/87/72/631338772.db2.gz GSODKGQSRNZBAV-AWEZNQCLSA-N 3 1 237.391 1.204 20 0 BDADMP CC[N@@H+]1CCC[C@@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000891461886 631371884 /nfs/dbraw/zinc/37/18/84/631371884.db2.gz YMODYZABERXUHJ-SNVBAGLBSA-N 2 1 235.335 1.263 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNc1nc(N)cc(C)[nH+]1 ZINC000891461886 631371889 /nfs/dbraw/zinc/37/18/89/631371889.db2.gz YMODYZABERXUHJ-SNVBAGLBSA-N 2 1 235.335 1.263 20 0 BDADMP CC1(C[NH2+]C[C@H]([NH3+])CC(F)F)CCC1 ZINC000308485526 631392125 /nfs/dbraw/zinc/39/21/25/631392125.db2.gz OBQSRJXYKXQEKW-MRVPVSSYSA-N 2 1 206.280 1.749 20 0 BDADMP C[C@H](C1CC1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735306 631493942 /nfs/dbraw/zinc/49/39/42/631493942.db2.gz VDUNTTKIWHVFOO-KGYLQXTDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H](C1CC1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735306 631493947 /nfs/dbraw/zinc/49/39/47/631493947.db2.gz VDUNTTKIWHVFOO-KGYLQXTDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H](C1CC1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735306 631493952 /nfs/dbraw/zinc/49/39/52/631493952.db2.gz VDUNTTKIWHVFOO-KGYLQXTDSA-N 2 1 208.349 1.668 20 0 BDADMP C[C@H](C1CC1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735306 631493955 /nfs/dbraw/zinc/49/39/55/631493955.db2.gz VDUNTTKIWHVFOO-KGYLQXTDSA-N 2 1 208.349 1.668 20 0 BDADMP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N)[nH+]1 ZINC000091807115 631542601 /nfs/dbraw/zinc/54/26/01/631542601.db2.gz PQMUKNHEDCHNLN-MNOVXSKESA-N 2 1 247.346 1.040 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000234703642 631666334 /nfs/dbraw/zinc/66/63/34/631666334.db2.gz WRKLOPRUANJEPS-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934380825 631814198 /nfs/dbraw/zinc/81/41/98/631814198.db2.gz FKUDMCNPXCLXTR-CYBMUJFWSA-N 2 1 249.358 1.654 20 0 BDADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000235041477 631864332 /nfs/dbraw/zinc/86/43/32/631864332.db2.gz OHKDYJMHJDDJHS-UTUOFQBUSA-N 2 1 230.421 1.915 20 0 BDADMP CC[C@H](CO)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000049752932 631913501 /nfs/dbraw/zinc/91/35/01/631913501.db2.gz XEKCHCHNOYPXCX-NEPJUHHUSA-N 2 1 214.353 1.221 20 0 BDADMP CC[C@@H](CO)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000049752934 631914497 /nfs/dbraw/zinc/91/44/97/631914497.db2.gz XEKCHCHNOYPXCX-NWDGAFQWSA-N 2 1 214.353 1.221 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[NH2+]C2)CCC1 ZINC000235096302 631954303 /nfs/dbraw/zinc/95/43/03/631954303.db2.gz JYSROLKZMICHCI-SECBINFHSA-N 2 1 200.351 1.224 20 0 BDADMP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000052043284 632054051 /nfs/dbraw/zinc/05/40/51/632054051.db2.gz RMSGYSUDPRNDJT-LLVKDONJSA-N 2 1 226.368 1.241 20 0 BDADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052042187 632054140 /nfs/dbraw/zinc/05/41/40/632054140.db2.gz OBCCQYUFYGISDS-SNVBAGLBSA-N 2 1 226.368 1.241 20 0 BDADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000052047350 632055363 /nfs/dbraw/zinc/05/53/63/632055363.db2.gz DZWWNMUEYHXIOM-LLVKDONJSA-N 2 1 238.379 1.385 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251778621 635707069 /nfs/dbraw/zinc/70/70/69/635707069.db2.gz MUKPWTNRVOGLLA-KGLIPLIRSA-N 2 1 242.407 1.966 20 0 BDADMP C[N@@H+](C[C@@H](N)CC(F)F)CC1CC[NH+](C)CC1 ZINC000310374054 635760675 /nfs/dbraw/zinc/76/06/75/635760675.db2.gz OSSHEYRISKCUHA-NSHDSACASA-N 2 1 249.349 1.243 20 0 BDADMP CN(C[C@@H]([NH3+])CC(F)F)CC1CC[NH+](C)CC1 ZINC000310374054 635760686 /nfs/dbraw/zinc/76/06/86/635760686.db2.gz OSSHEYRISKCUHA-NSHDSACASA-N 2 1 249.349 1.243 20 0 BDADMP CC(C)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000052424167 632402815 /nfs/dbraw/zinc/40/28/15/632402815.db2.gz SWHNSDCCUZDOSX-UHFFFAOYSA-N 2 1 227.396 1.260 20 0 BDADMP C[N@H+](CC[NH2+]C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000063120663 632536736 /nfs/dbraw/zinc/53/67/36/632536736.db2.gz QBWVVFUQMMYOAM-UHFFFAOYSA-N 3 1 241.423 1.648 20 0 BDADMP C[N@@H+](CC[NH2+]C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000063120663 632536747 /nfs/dbraw/zinc/53/67/47/632536747.db2.gz QBWVVFUQMMYOAM-UHFFFAOYSA-N 3 1 241.423 1.648 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N(C)C ZINC000251147063 632545431 /nfs/dbraw/zinc/54/54/31/632545431.db2.gz XRJGGBGMEBIIGQ-XJFOESAGSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000235368752 632680713 /nfs/dbraw/zinc/68/07/13/632680713.db2.gz ANNDEBCMAWPCFP-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]([N@H+](C)C[C@@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983080 632690088 /nfs/dbraw/zinc/69/00/88/632690088.db2.gz GJRNJCBDBJNOBE-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]([N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983080 632690092 /nfs/dbraw/zinc/69/00/92/632690092.db2.gz GJRNJCBDBJNOBE-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCN(C)C(C)(C)C2)CC[NH2+]1 ZINC000235699149 632816089 /nfs/dbraw/zinc/81/60/89/632816089.db2.gz ROGVIVRVGUANSR-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP Cl/C=C/C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000236015294 632863144 /nfs/dbraw/zinc/86/31/44/632863144.db2.gz ZPMUIJYYQZKUCC-ZDDBVIRUSA-N 2 1 214.740 1.955 20 0 BDADMP Cl/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000236015294 632863147 /nfs/dbraw/zinc/86/31/47/632863147.db2.gz ZPMUIJYYQZKUCC-ZDDBVIRUSA-N 2 1 214.740 1.955 20 0 BDADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309302416 632911513 /nfs/dbraw/zinc/91/15/13/632911513.db2.gz UNAWTYMNCGFLLD-WOPDTQHZSA-N 3 1 213.369 1.077 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)C1CC1 ZINC000162562274 633031025 /nfs/dbraw/zinc/03/10/25/633031025.db2.gz DKFFJNFBVDZLFS-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2CO)C1 ZINC000892730803 633204968 /nfs/dbraw/zinc/20/49/68/633204968.db2.gz KKIYIHBAAXWVFZ-LBPRGKRZSA-N 2 1 249.358 1.352 20 0 BDADMP CC(C)(C)C[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925503431 633827842 /nfs/dbraw/zinc/82/78/42/633827842.db2.gz JRFQLXMBOCGKFW-NEPJUHHUSA-N 2 1 240.391 1.658 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925509918 633848979 /nfs/dbraw/zinc/84/89/79/633848979.db2.gz PVMWKUDOETYUTQ-NWDGAFQWSA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925509919 633849270 /nfs/dbraw/zinc/84/92/70/633849270.db2.gz PVMWKUDOETYUTQ-RYUDHWBXSA-N 2 1 225.380 1.201 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000925529297 633918757 /nfs/dbraw/zinc/91/87/57/633918757.db2.gz DWKAGRMEQIXBEA-OUCADQQQSA-N 2 1 240.391 1.658 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000925539266 633946918 /nfs/dbraw/zinc/94/69/18/633946918.db2.gz APOOSDHSQNSQPH-GRYCIOLGSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)nc1 ZINC000309571404 633955883 /nfs/dbraw/zinc/95/58/83/633955883.db2.gz NROTVZISPSIQSC-JTQLQIEISA-N 2 1 225.311 1.651 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000309982498 634025024 /nfs/dbraw/zinc/02/50/24/634025024.db2.gz BQIRAFFTNIEDFM-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000309982498 634025034 /nfs/dbraw/zinc/02/50/34/634025034.db2.gz BQIRAFFTNIEDFM-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000925573413 634071006 /nfs/dbraw/zinc/07/10/06/634071006.db2.gz ACUYXAWWJFUFTA-YPMHNXCESA-N 2 1 236.363 1.083 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925578542 634078246 /nfs/dbraw/zinc/07/82/46/634078246.db2.gz WVKJGADXRGFXHN-CHWSQXEVSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925578544 634079062 /nfs/dbraw/zinc/07/90/62/634079062.db2.gz WVKJGADXRGFXHN-QWHCGFSZSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@](O)(C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925610126 634145971 /nfs/dbraw/zinc/14/59/71/634145971.db2.gz YXCTZQQYBSDNLT-RYUDHWBXSA-N 2 1 224.348 1.022 20 0 BDADMP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925616989 634165010 /nfs/dbraw/zinc/16/50/10/634165010.db2.gz OZAXQFIEPPHMER-VXGBXAGGSA-N 2 1 240.391 1.658 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925618989 634173048 /nfs/dbraw/zinc/17/30/48/634173048.db2.gz YXILXJYXLNBMPW-GFCCVEGCSA-N 2 1 240.391 1.802 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925670391 634252004 /nfs/dbraw/zinc/25/20/04/634252004.db2.gz JMPUAHGTPHFHAB-MELADBBJSA-N 2 1 239.407 1.591 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925678979 634276223 /nfs/dbraw/zinc/27/62/23/634276223.db2.gz GUDSOHPALVBXGD-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)nc1 ZINC000925684250 634294563 /nfs/dbraw/zinc/29/45/63/634294563.db2.gz FXNSLGXQOIDJOZ-ZDUSSCGKSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H]1NCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000925686979 634302525 /nfs/dbraw/zinc/30/25/25/634302525.db2.gz YAGYTWSUVNGZRK-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000925686979 634302528 /nfs/dbraw/zinc/30/25/28/634302528.db2.gz YAGYTWSUVNGZRK-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000925686979 634302535 /nfs/dbraw/zinc/30/25/35/634302535.db2.gz YAGYTWSUVNGZRK-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP COCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCCC1 ZINC000925688104 634305385 /nfs/dbraw/zinc/30/53/85/634305385.db2.gz BOGFDOQPZZXFSD-QWHCGFSZSA-N 2 1 240.391 1.923 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000194206278 634310297 /nfs/dbraw/zinc/31/02/97/634310297.db2.gz RMGFSIUIMBXCGR-CYBMUJFWSA-N 2 1 242.363 1.237 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925691790 634320130 /nfs/dbraw/zinc/32/01/30/634320130.db2.gz JUSYVQYMORMTOC-YUTCNCBUSA-N 3 1 239.407 1.482 20 0 BDADMP Cn1cnc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925693816 634333522 /nfs/dbraw/zinc/33/35/22/634333522.db2.gz MTOCDTVFUMEVMN-ZDUSSCGKSA-N 2 1 248.374 1.227 20 0 BDADMP CC[C@H](CO)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316362 634334435 /nfs/dbraw/zinc/33/44/35/634334435.db2.gz HSRLQYJNLPTAPQ-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@H](CO)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316362 634334439 /nfs/dbraw/zinc/33/44/39/634334439.db2.gz HSRLQYJNLPTAPQ-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@H](CO)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931316362 634334446 /nfs/dbraw/zinc/33/44/46/634334446.db2.gz HSRLQYJNLPTAPQ-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@H](CO)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931316362 634334448 /nfs/dbraw/zinc/33/44/48/634334448.db2.gz HSRLQYJNLPTAPQ-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925698192 634363468 /nfs/dbraw/zinc/36/34/68/634363468.db2.gz JJUFPDBWUHLAKX-TUAOUCFPSA-N 3 1 225.380 1.092 20 0 BDADMP Cc1cnc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)c(C)c1 ZINC000925702298 634376128 /nfs/dbraw/zinc/37/61/28/634376128.db2.gz NAGXQASLRFMSOL-AWEZNQCLSA-N 2 1 247.386 1.971 20 0 BDADMP C[N@@H+](CCc1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC000258891860 635220985 /nfs/dbraw/zinc/22/09/85/635220985.db2.gz LKMITLIQSDTLND-LBPRGKRZSA-N 2 1 236.334 1.910 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925824725 635416041 /nfs/dbraw/zinc/41/60/41/635416041.db2.gz UZACJDKSGRIMEV-UJPOAAIJSA-N 2 1 220.360 1.905 20 0 BDADMP COC[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925873241 635589067 /nfs/dbraw/zinc/58/90/67/635589067.db2.gz HCOHFEBECYKEKM-AGIUHOORSA-N 2 1 228.380 1.635 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000925874871 635595086 /nfs/dbraw/zinc/59/50/86/635595086.db2.gz WBFYPQQYLVUMKE-ZJUUUORDSA-N 2 1 236.363 1.513 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126297006 635757643 /nfs/dbraw/zinc/75/76/43/635757643.db2.gz JPSZMFZUMSQWFB-NDBYEHHHSA-N 2 1 208.349 1.574 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925145727 636298215 /nfs/dbraw/zinc/29/82/15/636298215.db2.gz YLAZZBLNTNRDKJ-ITGHMWBKSA-N 2 1 240.391 1.730 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925145727 636298218 /nfs/dbraw/zinc/29/82/18/636298218.db2.gz YLAZZBLNTNRDKJ-ITGHMWBKSA-N 2 1 240.391 1.730 20 0 BDADMP CC(C)(C)NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000052042173 636670318 /nfs/dbraw/zinc/67/03/18/636670318.db2.gz NUFRUHZQHADTSQ-SNVBAGLBSA-N 2 1 238.379 1.383 20 0 BDADMP COC[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621486 636825723 /nfs/dbraw/zinc/82/57/23/636825723.db2.gz CZNVCFBVHKBOKL-RWMBFGLXSA-N 2 1 226.364 1.152 20 0 BDADMP COC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621486 636825727 /nfs/dbraw/zinc/82/57/27/636825727.db2.gz CZNVCFBVHKBOKL-RWMBFGLXSA-N 2 1 226.364 1.152 20 0 BDADMP COC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621486 636825729 /nfs/dbraw/zinc/82/57/29/636825729.db2.gz CZNVCFBVHKBOKL-RWMBFGLXSA-N 2 1 226.364 1.152 20 0 BDADMP C[N@@H+](CC1CCOCC1)C[C@]1(C)CCC[NH2+]C1 ZINC000111179326 636966329 /nfs/dbraw/zinc/96/63/29/636966329.db2.gz RKYDDMJUJUNAGY-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CCC12CCC2)C[NH+](C)C ZINC000926957433 636971663 /nfs/dbraw/zinc/97/16/63/636971663.db2.gz BNRRXJWALXPORU-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)[C@H](C)CC)C[NH+](C)C ZINC000926962459 636973376 /nfs/dbraw/zinc/97/33/76/636973376.db2.gz MLIINZPZHMMNQI-FRRDWIJNSA-N 2 1 230.396 1.977 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C)CC1CC1)C[NH+](C)C ZINC000926960700 636974208 /nfs/dbraw/zinc/97/42/08/636974208.db2.gz GRVQOOUVYKXJJK-YPMHNXCESA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H](C)C(C)C)C[NH+](C)C ZINC000926967073 636976514 /nfs/dbraw/zinc/97/65/14/636976514.db2.gz ZQWMAZNRAJSRRV-RYUDHWBXSA-N 2 1 216.369 1.587 20 0 BDADMP CCO[C@@H](C[NH2+][C@H](C)C(C)C)C[NH+](C)C ZINC000926967071 636977953 /nfs/dbraw/zinc/97/79/53/636977953.db2.gz ZQWMAZNRAJSRRV-NEPJUHHUSA-N 2 1 216.369 1.587 20 0 BDADMP COc1ccccc1C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000111273320 637097062 /nfs/dbraw/zinc/09/70/62/637097062.db2.gz ZBWMSXKHPLXYPI-OCCSQVGLSA-N 2 1 248.370 1.983 20 0 BDADMP COc1ccccc1C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000111273320 637097066 /nfs/dbraw/zinc/09/70/66/637097066.db2.gz ZBWMSXKHPLXYPI-OCCSQVGLSA-N 2 1 248.370 1.983 20 0 BDADMP COC(=O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000042409140 637230827 /nfs/dbraw/zinc/23/08/27/637230827.db2.gz LBEKWXYGNVCJCK-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H](O)C1CC1 ZINC000903412041 637359599 /nfs/dbraw/zinc/35/95/99/637359599.db2.gz RXGGECQKXSFZCD-RBKKPWLPSA-N 2 1 238.375 1.077 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2CCO)C1 ZINC000903463962 637364871 /nfs/dbraw/zinc/36/48/71/637364871.db2.gz UMTQPRWHOJNKRB-XQQFMLRXSA-N 2 1 226.364 1.351 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)C ZINC000903721435 637377320 /nfs/dbraw/zinc/37/73/20/637377320.db2.gz AHPATWDKRAZGMH-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903865505 637386082 /nfs/dbraw/zinc/38/60/82/637386082.db2.gz ZLFWPIPOPPLENV-IHRRRGAJSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903865505 637386089 /nfs/dbraw/zinc/38/60/89/637386089.db2.gz ZLFWPIPOPPLENV-IHRRRGAJSA-N 2 1 240.391 1.597 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cncc(O)c1 ZINC000904432815 637399569 /nfs/dbraw/zinc/39/95/69/637399569.db2.gz GQYCOGFZXTXVOK-PWSUYJOCSA-N 2 1 235.331 1.407 20 0 BDADMP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC2(C)C)cn1 ZINC000904463484 637406373 /nfs/dbraw/zinc/40/63/73/637406373.db2.gz VUGMGUHXPFCGPO-CQSZACIVSA-N 2 1 247.386 1.910 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904449310 637412752 /nfs/dbraw/zinc/41/27/52/637412752.db2.gz ISZQROLIZKVHRB-UHFFFAOYSA-N 2 1 233.315 1.226 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000904450300 637416234 /nfs/dbraw/zinc/41/62/34/637416234.db2.gz RBNVAAYSUHBYQQ-UHFFFAOYSA-N 2 1 242.269 1.869 20 0 BDADMP CC[NH2+][C@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308250 637766470 /nfs/dbraw/zinc/76/64/70/637766470.db2.gz GTFMMCUJXNVCDW-SECBINFHSA-N 2 1 238.335 1.282 20 0 BDADMP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906507828 638179877 /nfs/dbraw/zinc/17/98/77/638179877.db2.gz FBASYNVMJKQBFZ-XYPYZODXSA-N 2 1 240.734 1.928 20 0 BDADMP CC(C)c1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 ZINC000906508285 638180120 /nfs/dbraw/zinc/18/01/20/638180120.db2.gz KUBQVSPWZCEXGB-KYZUINATSA-N 2 1 225.361 1.846 20 0 BDADMP CC(=O)Nc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906516713 638187535 /nfs/dbraw/zinc/18/75/35/638187535.db2.gz IKBDKTNBFWQEAV-HAQNSBGRSA-N 2 1 233.315 1.224 20 0 BDADMP Cc1[nH+]ccn1CCN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931038483 640033012 /nfs/dbraw/zinc/03/30/12/640033012.db2.gz RPAJRLHOEDIIQD-DGCLKSJQSA-N 2 1 236.363 1.216 20 0 BDADMP CC(C)OC1CC([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931281336 640125604 /nfs/dbraw/zinc/12/56/04/640125604.db2.gz QXCZREFUKFPKGS-TWASESMYSA-N 2 1 238.375 1.434 20 0 BDADMP CC(C)OC1CC([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931281336 640125610 /nfs/dbraw/zinc/12/56/10/640125610.db2.gz QXCZREFUKFPKGS-TWASESMYSA-N 2 1 238.375 1.434 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCCF)C[C@H]21 ZINC000931277067 640127123 /nfs/dbraw/zinc/12/71/23/640127123.db2.gz HJININGISCVFCM-URLYPYJESA-N 2 1 200.301 1.228 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCCF)C[C@H]21 ZINC000931277067 640127133 /nfs/dbraw/zinc/12/71/33/640127133.db2.gz HJININGISCVFCM-URLYPYJESA-N 2 1 200.301 1.228 20 0 BDADMP CC[C@@H](C)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286142 640137553 /nfs/dbraw/zinc/13/75/53/640137553.db2.gz CGFALYUUJGIEJO-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC[C@@H](C)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286142 640137558 /nfs/dbraw/zinc/13/75/58/640137558.db2.gz CGFALYUUJGIEJO-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](C[C@H]3CCOC3)C[C@@]2(C)C1 ZINC000931305893 640143113 /nfs/dbraw/zinc/14/31/13/640143113.db2.gz IPKLKWZJTJZXKG-MGPQQGTHSA-N 2 1 238.375 1.297 20 0 BDADMP CC(C)OCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931348783 640165632 /nfs/dbraw/zinc/16/56/32/640165632.db2.gz OBHDQAOONICPOL-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435553 640202372 /nfs/dbraw/zinc/20/23/72/640202372.db2.gz FZFDSARDYGHUEL-RWMBFGLXSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435553 640202377 /nfs/dbraw/zinc/20/23/77/640202377.db2.gz FZFDSARDYGHUEL-RWMBFGLXSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@@H](c1cnccn1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435553 640202381 /nfs/dbraw/zinc/20/23/81/640202381.db2.gz FZFDSARDYGHUEL-RWMBFGLXSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@@H](c1cnccn1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435553 640202383 /nfs/dbraw/zinc/20/23/83/640202383.db2.gz FZFDSARDYGHUEL-RWMBFGLXSA-N 2 1 246.358 1.421 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCC3)C[C@@H]2C1 ZINC000931434915 640203816 /nfs/dbraw/zinc/20/38/16/640203816.db2.gz AXEAYWGKQQHVGX-OLZOCXBDSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC000931434915 640203818 /nfs/dbraw/zinc/20/38/18/640203818.db2.gz AXEAYWGKQQHVGX-OLZOCXBDSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC000931434915 640203822 /nfs/dbraw/zinc/20/38/22/640203822.db2.gz AXEAYWGKQQHVGX-OLZOCXBDSA-N 2 1 208.349 1.670 20 0 BDADMP CC1CC(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931442334 640205067 /nfs/dbraw/zinc/20/50/67/640205067.db2.gz CRBFBWKQDLLYAN-CLRIEMFWSA-N 2 1 222.376 1.916 20 0 BDADMP CC1CC(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)C1 ZINC000931442334 640205076 /nfs/dbraw/zinc/20/50/76/640205076.db2.gz CRBFBWKQDLLYAN-CLRIEMFWSA-N 2 1 222.376 1.916 20 0 BDADMP CC1CC(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1 ZINC000931442334 640205081 /nfs/dbraw/zinc/20/50/81/640205081.db2.gz CRBFBWKQDLLYAN-CLRIEMFWSA-N 2 1 222.376 1.916 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440354 640206417 /nfs/dbraw/zinc/20/64/17/640206417.db2.gz WPVPKGKOUCYNEW-RDBSUJKOSA-N 2 1 220.360 1.979 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC000931439775 640206117 /nfs/dbraw/zinc/20/61/17/640206117.db2.gz ZTXDUMLHQFSLMB-NEPJUHHUSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC000931439775 640206126 /nfs/dbraw/zinc/20/61/26/640206126.db2.gz ZTXDUMLHQFSLMB-NEPJUHHUSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC000931439775 640206131 /nfs/dbraw/zinc/20/61/31/640206131.db2.gz ZTXDUMLHQFSLMB-NEPJUHHUSA-N 2 1 244.329 1.915 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440354 640206423 /nfs/dbraw/zinc/20/64/23/640206423.db2.gz WPVPKGKOUCYNEW-RDBSUJKOSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440354 640206430 /nfs/dbraw/zinc/20/64/30/640206430.db2.gz WPVPKGKOUCYNEW-RDBSUJKOSA-N 2 1 220.360 1.979 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442125 640207138 /nfs/dbraw/zinc/20/71/38/640207138.db2.gz VLCFXRWZLTUUQN-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442125 640207145 /nfs/dbraw/zinc/20/71/45/640207145.db2.gz VLCFXRWZLTUUQN-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442125 640207154 /nfs/dbraw/zinc/20/71/54/640207154.db2.gz VLCFXRWZLTUUQN-XDQVBPFNSA-N 2 1 238.375 1.295 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931515696 640245848 /nfs/dbraw/zinc/24/58/48/640245848.db2.gz AMRKACBWIFOHMW-PHIMTYICSA-N 2 1 247.342 1.447 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931515696 640245851 /nfs/dbraw/zinc/24/58/51/640245851.db2.gz AMRKACBWIFOHMW-PHIMTYICSA-N 2 1 247.342 1.447 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCc1ccncc1 ZINC000931721506 640341537 /nfs/dbraw/zinc/34/15/37/640341537.db2.gz QGJDRESZEAPTBS-LSDHHAIUSA-N 2 1 245.370 1.793 20 0 BDADMP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCc1ccncc1 ZINC000931721506 640341540 /nfs/dbraw/zinc/34/15/40/640341540.db2.gz QGJDRESZEAPTBS-LSDHHAIUSA-N 2 1 245.370 1.793 20 0 BDADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCc1ccncc1 ZINC000931721506 640341545 /nfs/dbraw/zinc/34/15/45/640341545.db2.gz QGJDRESZEAPTBS-LSDHHAIUSA-N 2 1 245.370 1.793 20 0 BDADMP C[N@@H+](Cc1ccncc1)C1CCC([NH3+])CC1 ZINC000055144368 640438426 /nfs/dbraw/zinc/43/84/26/640438426.db2.gz IWYIWKJSNYZYOU-UHFFFAOYSA-N 2 1 219.332 1.783 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000932976075 640660307 /nfs/dbraw/zinc/66/03/07/640660307.db2.gz DGLLIRVCUVKZIG-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000932976075 640660311 /nfs/dbraw/zinc/66/03/11/640660311.db2.gz DGLLIRVCUVKZIG-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000932976075 640660323 /nfs/dbraw/zinc/66/03/23/640660323.db2.gz DGLLIRVCUVKZIG-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933386991 640711209 /nfs/dbraw/zinc/71/12/09/640711209.db2.gz PZZICVKERMLYBR-SMDDNHRTSA-N 2 1 247.342 1.264 20 0 BDADMP COC/C(C)=C/C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732833 640752487 /nfs/dbraw/zinc/75/24/87/640752487.db2.gz NRQINGKMKYCCPA-ODYZYYDOSA-N 2 1 238.375 1.463 20 0 BDADMP COC/C(C)=C/C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732833 640752493 /nfs/dbraw/zinc/75/24/93/640752493.db2.gz NRQINGKMKYCCPA-ODYZYYDOSA-N 2 1 238.375 1.463 20 0 BDADMP COC/C(C)=C/C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732833 640752499 /nfs/dbraw/zinc/75/24/99/640752499.db2.gz NRQINGKMKYCCPA-ODYZYYDOSA-N 2 1 238.375 1.463 20 0 BDADMP COC/C(C)=C\C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732836 640754696 /nfs/dbraw/zinc/75/46/96/640754696.db2.gz NRQINGKMKYCCPA-WWRZCIAWSA-N 2 1 238.375 1.463 20 0 BDADMP COC/C(C)=C\C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732836 640754700 /nfs/dbraw/zinc/75/47/00/640754700.db2.gz NRQINGKMKYCCPA-WWRZCIAWSA-N 2 1 238.375 1.463 20 0 BDADMP COC/C(C)=C\C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732836 640754706 /nfs/dbraw/zinc/75/47/06/640754706.db2.gz NRQINGKMKYCCPA-WWRZCIAWSA-N 2 1 238.375 1.463 20 0 BDADMP CCOCCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227767181 640848386 /nfs/dbraw/zinc/84/83/86/640848386.db2.gz WCFZFUMNLKKCJT-NWDGAFQWSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCCO1 ZINC000061934511 641008328 /nfs/dbraw/zinc/00/83/28/641008328.db2.gz NOYXKENRIFNVCB-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CO[C@@H]1C[N@@H+](CCCCCC[NH3+])CC[C@@H]1C ZINC000230310891 641046473 /nfs/dbraw/zinc/04/64/73/641046473.db2.gz MWWSVRWSTXDBEC-QWHCGFSZSA-N 2 1 228.380 1.862 20 0 BDADMP Cn1cc(CC[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000230774790 641093968 /nfs/dbraw/zinc/09/39/68/641093968.db2.gz JGUCMUSYDYETLN-ZDUSSCGKSA-N 2 1 236.363 1.166 20 0 BDADMP C[C@]1(C[N@H+]2CCCSCC2)CCC[NH2+]C1 ZINC000062862413 641100720 /nfs/dbraw/zinc/10/07/20/641100720.db2.gz BPSLBDLQICEJLG-LBPRGKRZSA-N 2 1 228.405 1.815 20 0 BDADMP C[N@@H+](CCc1ccncc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911323 641107866 /nfs/dbraw/zinc/10/78/66/641107866.db2.gz ZEEUBSAPNSAYOA-AWEZNQCLSA-N 2 1 233.359 1.556 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000063047461 641121792 /nfs/dbraw/zinc/12/17/92/641121792.db2.gz JVLQRCFROWJGAL-LLVKDONJSA-N 2 1 208.305 1.711 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000063047461 641121797 /nfs/dbraw/zinc/12/17/97/641121797.db2.gz JVLQRCFROWJGAL-LLVKDONJSA-N 2 1 208.305 1.711 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@@H]1O)CC1CC[NH+](C)CC1 ZINC000063122162 641134222 /nfs/dbraw/zinc/13/42/22/641134222.db2.gz FRDWKSYMCRMFLQ-KBPBESRZSA-N 2 1 240.391 1.421 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1C ZINC000050597699 641192013 /nfs/dbraw/zinc/19/20/13/641192013.db2.gz DUVGOYJOFVSSPC-CYBMUJFWSA-N 2 1 234.343 1.784 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](C1CC1)C(C)(C)C ZINC000323948853 641311176 /nfs/dbraw/zinc/31/11/76/641311176.db2.gz CJTUSLSPVIXATB-VXGBXAGGSA-N 2 1 228.380 1.323 20 0 BDADMP COCc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000088555218 641367805 /nfs/dbraw/zinc/36/78/05/641367805.db2.gz DOJXMDPPSNWEFG-AWEZNQCLSA-N 2 1 234.343 1.614 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000042466606 641551579 /nfs/dbraw/zinc/55/15/79/641551579.db2.gz LHMMVDOTRAMLRO-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CCCCC[NH3+] ZINC000155641289 641575739 /nfs/dbraw/zinc/57/57/39/641575739.db2.gz GDONFELUKKAKGZ-LBPRGKRZSA-N 2 1 243.395 1.352 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000156072506 641593499 /nfs/dbraw/zinc/59/34/99/641593499.db2.gz NDOBZSKSSZZGDP-CYBMUJFWSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1C[C@H](NC(=O)CCCCC[NH3+])CC[N@H+]1C ZINC000157841910 641624462 /nfs/dbraw/zinc/62/44/62/641624462.db2.gz CIZFOCNLRYRHLA-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1C[C@@H](NC(=O)CCCCC[NH3+])CC[N@H+]1C ZINC000157842224 641625331 /nfs/dbraw/zinc/62/53/31/641625331.db2.gz CIZFOCNLRYRHLA-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC000227166726 641728568 /nfs/dbraw/zinc/72/85/68/641728568.db2.gz WYAWJLBECPBWPE-XICOKMJESA-N 2 1 202.729 1.942 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCSC(F)(F)F)C1 ZINC000123637690 641873773 /nfs/dbraw/zinc/87/37/73/641873773.db2.gz VQYDOAGWNZVUKO-YUMQZZPRSA-N 2 1 242.310 1.909 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCSC(F)(F)F)C1 ZINC000123637690 641873775 /nfs/dbraw/zinc/87/37/75/641873775.db2.gz VQYDOAGWNZVUKO-YUMQZZPRSA-N 2 1 242.310 1.909 20 0 BDADMP C([C@@H]1CCOC1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257687938 642499297 /nfs/dbraw/zinc/49/92/97/642499297.db2.gz MSEHDPXMNMKDSJ-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257687938 642499309 /nfs/dbraw/zinc/49/93/09/642499309.db2.gz MSEHDPXMNMKDSJ-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000233094159 642651627 /nfs/dbraw/zinc/65/16/27/642651627.db2.gz KKKNUAVEIDGQHF-RYUDHWBXSA-N 2 1 228.380 1.779 20 0 BDADMP COCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420402584 642724127 /nfs/dbraw/zinc/72/41/27/642724127.db2.gz MERNCLAFSSGLHP-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP COCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420402584 642724135 /nfs/dbraw/zinc/72/41/35/642724135.db2.gz MERNCLAFSSGLHP-GFCCVEGCSA-N 2 1 212.337 1.241 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353500226 642857332 /nfs/dbraw/zinc/85/73/32/642857332.db2.gz WXOICZJDQQKMRN-GFCCVEGCSA-N 2 1 245.330 1.582 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910130 642932671 /nfs/dbraw/zinc/93/26/71/642932671.db2.gz HZLSABUIZNZRBW-WYUUTHIRSA-N 2 1 228.405 1.668 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCCCO)C1 ZINC000175778448 643295617 /nfs/dbraw/zinc/29/56/17/643295617.db2.gz XJFACZQKOALODH-CQSZACIVSA-N 2 1 242.407 1.813 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000175778448 643295623 /nfs/dbraw/zinc/29/56/23/643295623.db2.gz XJFACZQKOALODH-CQSZACIVSA-N 2 1 242.407 1.813 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000175778448 643295633 /nfs/dbraw/zinc/29/56/33/643295633.db2.gz XJFACZQKOALODH-CQSZACIVSA-N 2 1 242.407 1.813 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2sccc2C1 ZINC000082560278 643343070 /nfs/dbraw/zinc/34/30/70/643343070.db2.gz AUWMXVZTOITZOE-PWSUYJOCSA-N 2 1 236.384 1.962 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2sccc2C1 ZINC000082560278 643343076 /nfs/dbraw/zinc/34/30/76/643343076.db2.gz AUWMXVZTOITZOE-PWSUYJOCSA-N 2 1 236.384 1.962 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](CCSC(F)(F)F)C1 ZINC000235746307 643473947 /nfs/dbraw/zinc/47/39/47/643473947.db2.gz GAOGILIOZLUUHW-MRVPVSSYSA-N 2 1 242.310 1.910 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CCSC(F)(F)F)C1 ZINC000235746307 643473948 /nfs/dbraw/zinc/47/39/48/643473948.db2.gz GAOGILIOZLUUHW-MRVPVSSYSA-N 2 1 242.310 1.910 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000082931359 643527687 /nfs/dbraw/zinc/52/76/87/643527687.db2.gz DBTWWQYJMWOJAV-NSHDSACASA-N 2 1 205.305 1.252 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000050247656 643628510 /nfs/dbraw/zinc/62/85/10/643628510.db2.gz OMQCBWFGSZSZIK-VXGBXAGGSA-N 2 1 248.326 1.107 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269651 643673509 /nfs/dbraw/zinc/67/35/09/643673509.db2.gz JWASPWOYHYZZEO-OLZOCXBDSA-N 2 1 224.348 1.611 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085015344 643678473 /nfs/dbraw/zinc/67/84/73/643678473.db2.gz RMBWUWHQAANPMB-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000050368875 643690979 /nfs/dbraw/zinc/69/09/79/643690979.db2.gz PJTLKBWRJSPWTJ-NEPJUHHUSA-N 2 1 212.337 1.238 20 0 BDADMP CO[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000050368877 643691173 /nfs/dbraw/zinc/69/11/73/643691173.db2.gz PJTLKBWRJSPWTJ-RYUDHWBXSA-N 2 1 212.337 1.238 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000085869315 643823960 /nfs/dbraw/zinc/82/39/60/643823960.db2.gz UQYZRDHNFCILIQ-VOMCLLRMSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@H](C[NH2+]C[C@@H]1CC=CCC1)C[NH+](C)C ZINC000922761313 644085652 /nfs/dbraw/zinc/08/56/52/644085652.db2.gz QUJWAFNVTLBVSY-ZIAGYGMSSA-N 2 1 240.391 1.899 20 0 BDADMP CCO[C@H](C[NH2+]CC1(C)CC1)C[NH+](C)C ZINC000922754041 644086430 /nfs/dbraw/zinc/08/64/30/644086430.db2.gz MAIKCAWUGFAVTF-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]1C)C[NH+](C)C ZINC000922757263 644087885 /nfs/dbraw/zinc/08/78/85/644087885.db2.gz DAFZHXHUCYVMHN-UPJWGTAASA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1 ZINC000086495093 644142677 /nfs/dbraw/zinc/14/26/77/644142677.db2.gz XUAAZOFHEIXQLM-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC1(C)C ZINC000923004320 644227828 /nfs/dbraw/zinc/22/78/28/644227828.db2.gz BEIXTJKOEUUDLF-IJLUTSLNSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923280906 644313458 /nfs/dbraw/zinc/31/34/58/644313458.db2.gz JTCQATBAZRIOBN-RYUDHWBXSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000923291431 644317152 /nfs/dbraw/zinc/31/71/52/644317152.db2.gz SGYSPEZMXQWBAF-SNPRPXQTSA-N 2 1 248.370 1.259 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923282961 644317670 /nfs/dbraw/zinc/31/76/70/644317670.db2.gz ZFUAMTPPLGZIGJ-CPIKKWJDSA-N 3 1 237.391 1.188 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282874 644318513 /nfs/dbraw/zinc/31/85/13/644318513.db2.gz YAIOFVFTRRBRGI-STQMWFEESA-N 2 1 228.380 1.598 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923282634 644318970 /nfs/dbraw/zinc/31/89/70/644318970.db2.gz XNEKVDSUQRXCCW-LSDHHAIUSA-N 2 1 248.370 1.261 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923287395 644320520 /nfs/dbraw/zinc/32/05/20/644320520.db2.gz DROOUVPBZRZJJV-RWMBFGLXSA-N 2 1 228.380 1.453 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000923286843 644320826 /nfs/dbraw/zinc/32/08/26/644320826.db2.gz ARGXGGDRKJTYEO-BPLDGKMQSA-N 2 1 248.370 1.698 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000923288169 644321516 /nfs/dbraw/zinc/32/15/16/644321516.db2.gz HYRVTMWCNSAPAA-MELADBBJSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000923288169 644321519 /nfs/dbraw/zinc/32/15/19/644321519.db2.gz HYRVTMWCNSAPAA-MELADBBJSA-N 2 1 242.407 1.843 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H](O)c1ccc(F)c(F)c1 ZINC000923290844 644326009 /nfs/dbraw/zinc/32/60/09/644326009.db2.gz LSNUEHQTTRWKQA-LBPRGKRZSA-N 2 1 244.285 1.279 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000923293616 644328274 /nfs/dbraw/zinc/32/82/74/644328274.db2.gz ZGWCDUXOAKFCQX-ZIAGYGMSSA-N 2 1 234.343 1.013 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000923293616 644328282 /nfs/dbraw/zinc/32/82/82/644328282.db2.gz ZGWCDUXOAKFCQX-ZIAGYGMSSA-N 2 1 234.343 1.013 20 0 BDADMP CSC[C@@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923298010 644334973 /nfs/dbraw/zinc/33/49/73/644334973.db2.gz QUJBUBJLUCCOFM-QWRGUYRKSA-N 2 1 234.409 1.016 20 0 BDADMP CC(C)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923314655 644341754 /nfs/dbraw/zinc/34/17/54/644341754.db2.gz XFVKBPGBTPSQQK-CYBMUJFWSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](CCC1CCCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923313102 644342343 /nfs/dbraw/zinc/34/23/43/644342343.db2.gz TYYGJVJZICBIOE-IHRRRGAJSA-N 2 1 240.391 1.739 20 0 BDADMP CC1(C)CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312622 644342380 /nfs/dbraw/zinc/34/23/80/644342380.db2.gz KXQNHNZMHQGTAP-LLVKDONJSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)CO[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923318828 644343160 /nfs/dbraw/zinc/34/31/60/644343160.db2.gz PJUPSHDVORQCAC-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CO[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923318828 644343165 /nfs/dbraw/zinc/34/31/65/644343165.db2.gz PJUPSHDVORQCAC-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317574 644343223 /nfs/dbraw/zinc/34/32/23/644343223.db2.gz FJIZZLZORHRRQN-QWHCGFSZSA-N 2 1 238.375 1.343 20 0 BDADMP CCC[C@]1(C)CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315493 644343749 /nfs/dbraw/zinc/34/37/49/644343749.db2.gz HXICIJRDSRWTIV-XDQVBPFNSA-N 2 1 240.391 1.739 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309057 644346048 /nfs/dbraw/zinc/34/60/48/644346048.db2.gz IXLYECFVRJYRIK-NWDGAFQWSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923331078 644348603 /nfs/dbraw/zinc/34/86/03/644348603.db2.gz KFTREHQGCCXEHR-AEGPPILISA-N 2 1 248.370 1.259 20 0 BDADMP [NH3+]C1(C[NH2+]C[C@@H]2COc3ccccc3O2)CCC1 ZINC000923330936 644350323 /nfs/dbraw/zinc/35/03/23/644350323.db2.gz DHRZJSLADZXGGV-LLVKDONJSA-N 2 1 248.326 1.297 20 0 BDADMP C[C@@H]1C[C@H](N(C)CCC[NH2+]C2CC2)CC[N@H+]1C ZINC000923324342 644352393 /nfs/dbraw/zinc/35/23/93/644352393.db2.gz FKXSEZODCNLUIZ-TZMCWYRMSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333869 644355138 /nfs/dbraw/zinc/35/51/38/644355138.db2.gz YQHMKLAKCGUHDY-AVGNSLFASA-N 2 1 228.380 1.453 20 0 BDADMP CC[N@@H+](C[C@H](O)CSC)[C@H]1CCC[NH2+]CC1 ZINC000923336141 644357043 /nfs/dbraw/zinc/35/70/43/644357043.db2.gz QMCKFQBAJLFPQI-RYUDHWBXSA-N 2 1 246.420 1.174 20 0 BDADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923331931 644360927 /nfs/dbraw/zinc/36/09/27/644360927.db2.gz JKADCPABCDQIHT-WCFLWFBJSA-N 2 1 249.358 1.715 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923354793 644372688 /nfs/dbraw/zinc/37/26/88/644372688.db2.gz WQRHWOAAKREDIU-UONOGXRCSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923354791 644372864 /nfs/dbraw/zinc/37/28/64/644372864.db2.gz WQRHWOAAKREDIU-KBPBESRZSA-N 2 1 242.407 1.987 20 0 BDADMP CC(C)OCC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923366935 644378761 /nfs/dbraw/zinc/37/87/61/644378761.db2.gz BFRRMDBCVXHIHY-RYUDHWBXSA-N 2 1 246.395 1.125 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923369682 644381622 /nfs/dbraw/zinc/38/16/22/644381622.db2.gz LGILNBPWNMXHFB-RYUDHWBXSA-N 2 1 230.396 1.747 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923370717 644381702 /nfs/dbraw/zinc/38/17/02/644381702.db2.gz QJWFYNSOLVJKJP-QWHCGFSZSA-N 2 1 242.407 1.891 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923374950 644388991 /nfs/dbraw/zinc/38/89/91/644388991.db2.gz WKFPYLVWTZCOHN-RYUDHWBXSA-N 2 1 214.353 1.255 20 0 BDADMP CC[C@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923374949 644389158 /nfs/dbraw/zinc/38/91/58/644389158.db2.gz WKFPYLVWTZCOHN-NWDGAFQWSA-N 2 1 214.353 1.255 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000923377614 644391322 /nfs/dbraw/zinc/39/13/22/644391322.db2.gz OGSDTXNUWCFQKY-AWEZNQCLSA-N 2 1 236.359 1.131 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923397579 644405036 /nfs/dbraw/zinc/40/50/36/644405036.db2.gz CYHJGZYOYWUREK-CHWSQXEVSA-N 2 1 240.391 1.658 20 0 BDADMP C[N@H+]1CCN(CCC[NH2+]C2CC2)C(C)(C)C1 ZINC000923399979 644406728 /nfs/dbraw/zinc/40/67/28/644406728.db2.gz VLPAEIGVKPTASO-UHFFFAOYSA-N 2 1 225.380 1.155 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923409631 644410764 /nfs/dbraw/zinc/41/07/64/644410764.db2.gz CMDRKZOVJRQHRE-IHRRRGAJSA-N 2 1 242.407 1.844 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000923409150 644410932 /nfs/dbraw/zinc/41/09/32/644410932.db2.gz AIPBDPYJIQLSBY-ZJUUUORDSA-N 2 1 223.320 1.264 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000923409150 644410935 /nfs/dbraw/zinc/41/09/35/644410935.db2.gz AIPBDPYJIQLSBY-ZJUUUORDSA-N 2 1 223.320 1.264 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000923412793 644415118 /nfs/dbraw/zinc/41/51/18/644415118.db2.gz BLABINRVKKVNNM-NEPJUHHUSA-N 2 1 240.416 1.813 20 0 BDADMP C/C=C/C[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923413310 644416318 /nfs/dbraw/zinc/41/63/18/644416318.db2.gz WGRMDSWATWPQKN-KYAPEHDSSA-N 2 1 238.375 1.515 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923423212 644420381 /nfs/dbraw/zinc/42/03/81/644420381.db2.gz WBHRPDSBGLVKRQ-VXGBXAGGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455561 644435616 /nfs/dbraw/zinc/43/56/16/644435616.db2.gz XTARFWQPDZRXNI-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455561 644435619 /nfs/dbraw/zinc/43/56/19/644435619.db2.gz XTARFWQPDZRXNI-ZDEQEGDKSA-N 2 1 224.348 1.095 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480513 644460309 /nfs/dbraw/zinc/46/03/09/644460309.db2.gz IHRDCZSZQSWVLT-LBPRGKRZSA-N 3 1 213.369 1.176 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000923481201 644460324 /nfs/dbraw/zinc/46/03/24/644460324.db2.gz GWGINHIBTTZABI-NSHDSACASA-N 2 1 249.358 1.724 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495768 644462668 /nfs/dbraw/zinc/46/26/68/644462668.db2.gz XQCAEYHWVOUPAA-ZIAGYGMSSA-N 2 1 241.423 1.635 20 0 BDADMP CCCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484814 644463046 /nfs/dbraw/zinc/46/30/46/644463046.db2.gz NRASMPWUICGSJV-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490966 644464379 /nfs/dbraw/zinc/46/43/79/644464379.db2.gz PJTLIJUBLWJQHB-VOAKCMCISA-N 2 1 226.364 1.328 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C[NH3+] ZINC000923491870 644467011 /nfs/dbraw/zinc/46/70/11/644467011.db2.gz KBVFYUQEKFPXMP-LOWDOPEQSA-N 3 1 225.380 1.031 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491475 644467357 /nfs/dbraw/zinc/46/73/57/644467357.db2.gz IDGVBIWFGGRMNQ-IHRRRGAJSA-N 2 1 242.407 1.700 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923491947 644468660 /nfs/dbraw/zinc/46/86/60/644468660.db2.gz VIAKSFPDYTWUKP-ZDEQEGDKSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1C[NH3+] ZINC000923494064 644470002 /nfs/dbraw/zinc/47/00/02/644470002.db2.gz VNXDWOFOAZOSRN-GHMZBOCLSA-N 2 1 239.388 1.602 20 0 BDADMP Cc1nnc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)[nH]1 ZINC000923493486 644470215 /nfs/dbraw/zinc/47/02/15/644470215.db2.gz HEXPXLGRNDXCPR-WCABBAIRSA-N 2 1 237.351 1.091 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cscn2)CC[C@H]1C[NH3+] ZINC000923496929 644470873 /nfs/dbraw/zinc/47/08/73/644470873.db2.gz CRCDCKUOODEQQP-ZJUUUORDSA-N 2 1 225.361 1.560 20 0 BDADMP CCc1noc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923497631 644472550 /nfs/dbraw/zinc/47/25/50/644472550.db2.gz HQABRYXWQAUINZ-NXEZZACHSA-N 2 1 238.335 1.049 20 0 BDADMP CCc1noc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923497631 644472552 /nfs/dbraw/zinc/47/25/52/644472552.db2.gz HQABRYXWQAUINZ-NXEZZACHSA-N 2 1 238.335 1.049 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CC[C@H]1C[NH3+] ZINC000923497411 644473415 /nfs/dbraw/zinc/47/34/15/644473415.db2.gz DYXPKGODUVSPJD-KBPBESRZSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1C[NH3+] ZINC000923500775 644474194 /nfs/dbraw/zinc/47/41/94/644474194.db2.gz PBPZDPRCDLLGEX-NXEZZACHSA-N 2 1 209.293 1.091 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923500859 644476432 /nfs/dbraw/zinc/47/64/32/644476432.db2.gz PPXJUXGMZIOESH-ZYHUDNBSSA-N 2 1 234.347 1.202 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000923516275 644481259 /nfs/dbraw/zinc/48/12/59/644481259.db2.gz XMPGEERSXACLSL-WDEREUQCSA-N 2 1 235.331 1.278 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000923516275 644481262 /nfs/dbraw/zinc/48/12/62/644481262.db2.gz XMPGEERSXACLSL-WDEREUQCSA-N 2 1 235.331 1.278 20 0 BDADMP CC(C)=CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515975 644481282 /nfs/dbraw/zinc/48/12/82/644481282.db2.gz PIDUNGAKCNSSOV-QWHCGFSZSA-N 2 1 208.349 1.884 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534071 644489995 /nfs/dbraw/zinc/48/99/95/644489995.db2.gz NMTIWFYGYRPUJX-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534071 644490000 /nfs/dbraw/zinc/49/00/00/644490000.db2.gz NMTIWFYGYRPUJX-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1csc(C[C@H]2CC[N@@H+](CCC[NH3+])C2)n1 ZINC000923552669 644496370 /nfs/dbraw/zinc/49/63/70/644496370.db2.gz XZXRUIIQHRRSNN-LLVKDONJSA-N 2 1 239.388 1.665 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923550479 644497829 /nfs/dbraw/zinc/49/78/29/644497829.db2.gz YCVGOXWEWWWFMA-ZDUSSCGKSA-N 2 1 226.364 1.474 20 0 BDADMP COCCC[N@@H+](CCOC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545246 644630270 /nfs/dbraw/zinc/63/02/70/644630270.db2.gz RDFCGLVGFXWLQK-OLZOCXBDSA-N 2 1 244.379 1.099 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662535 644634174 /nfs/dbraw/zinc/63/41/74/644634174.db2.gz YUJMAAFWGKFQCS-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662535 644634176 /nfs/dbraw/zinc/63/41/76/644634176.db2.gz YUJMAAFWGKFQCS-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250457341 644760110 /nfs/dbraw/zinc/76/01/10/644760110.db2.gz IZLQCRPEUYXUOL-XDQVBPFNSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000250457338 644760362 /nfs/dbraw/zinc/76/03/62/644760362.db2.gz IZLQCRPEUYXUOL-RFQIPJPRSA-N 2 1 238.375 1.770 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000250534718 644760968 /nfs/dbraw/zinc/76/09/68/644760968.db2.gz OMQCBWFGSZSZIK-RYUDHWBXSA-N 2 1 248.326 1.107 20 0 BDADMP C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000251553404 644809260 /nfs/dbraw/zinc/80/92/60/644809260.db2.gz BIPSYPDTMOIWKU-KBPBESRZSA-N 2 1 248.370 1.982 20 0 BDADMP CC[N@@H+](CCc1ccccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000843060109 645256705 /nfs/dbraw/zinc/25/67/05/645256705.db2.gz DBTIJXGJIKBMCU-HNNXBMFYSA-N 2 1 247.386 1.946 20 0 BDADMP FCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388569 645289514 /nfs/dbraw/zinc/28/95/14/645289514.db2.gz RZJYODKVCHNQSH-GHMZBOCLSA-N 2 1 200.301 1.277 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccnnc1 ZINC000926574069 645291289 /nfs/dbraw/zinc/29/12/89/645291289.db2.gz UHIQSABBAHNSPA-QWHCGFSZSA-N 2 1 248.374 1.859 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+](C)CC(C)C ZINC000926645772 645331374 /nfs/dbraw/zinc/33/13/74/645331374.db2.gz RMZRVSMNGYIGKT-ZIAGYGMSSA-N 2 1 242.407 1.979 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C=CCC1 ZINC000926690151 645360310 /nfs/dbraw/zinc/36/03/10/645360310.db2.gz NDFDFMFDYIDFAT-FXJUQPSGSA-N 2 1 206.333 1.635 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc[nH]c1=O ZINC000926773214 645420562 /nfs/dbraw/zinc/42/05/62/645420562.db2.gz VDVGEGAXDKRIEV-FUNVUKJBSA-N 2 1 247.342 1.217 20 0 BDADMP CCO[C@H](C[NH2+]C1CC(OCC)C1)C[NH+](C)C ZINC000926963856 645502660 /nfs/dbraw/zinc/50/26/60/645502660.db2.gz VLCQSBLECRFHJW-WXRRBKDZSA-N 2 1 244.379 1.110 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924616682 646079901 /nfs/dbraw/zinc/07/99/01/646079901.db2.gz FMJDBTJEFXCBFB-STQMWFEESA-N 2 1 242.407 1.977 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000924697322 646091026 /nfs/dbraw/zinc/09/10/26/646091026.db2.gz KTERKOAZRBAXJX-YNEHKIRRSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000924697320 646091152 /nfs/dbraw/zinc/09/11/52/646091152.db2.gz KTERKOAZRBAXJX-RWMBFGLXSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C(C)(C)CO ZINC000924714158 646094127 /nfs/dbraw/zinc/09/41/27/646094127.db2.gz AFXWRWVLPFVRHH-ZYHUDNBSSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1(Cl)CC1 ZINC000924757421 646102727 /nfs/dbraw/zinc/10/27/27/646102727.db2.gz OQWVTSCKOCWYDC-GHMZBOCLSA-N 2 1 246.782 1.193 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924951026 646139953 /nfs/dbraw/zinc/13/99/53/646139953.db2.gz BFFUXYZTDOLELT-RFQIPJPRSA-N 2 1 242.407 1.977 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000924959679 646144692 /nfs/dbraw/zinc/14/46/92/646144692.db2.gz LEFPRQIJNGFDGM-RDBSUJKOSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOC1 ZINC000924990077 646151879 /nfs/dbraw/zinc/15/18/79/646151879.db2.gz VXYZACKYDIBEQH-DAAZQVBGSA-N 2 1 224.348 1.095 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000924992902 646152631 /nfs/dbraw/zinc/15/26/31/646152631.db2.gz JCBSXTYISNZZLT-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925479586 646291441 /nfs/dbraw/zinc/29/14/41/646291441.db2.gz SHYLSKCPOYLSIW-NWDGAFQWSA-N 2 1 228.380 1.514 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486250 646297039 /nfs/dbraw/zinc/29/70/39/646297039.db2.gz GKSBYOUORKPXKW-GRYCIOLGSA-N 2 1 225.380 1.186 20 0 BDADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486250 646297044 /nfs/dbraw/zinc/29/70/44/646297044.db2.gz GKSBYOUORKPXKW-GRYCIOLGSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](CN[C@H]1CC[NH2+]C1(C)C)[N@@H+](C)C1CC1 ZINC000925496301 646302120 /nfs/dbraw/zinc/30/21/20/646302120.db2.gz PZSQRZBCHMYRDY-PWSUYJOCSA-N 2 1 225.380 1.199 20 0 BDADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCO1 ZINC000925500143 646304442 /nfs/dbraw/zinc/30/44/42/646304442.db2.gz AENSRWSCKJXPBO-GHMZBOCLSA-N 2 1 210.321 1.040 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2(C)C)CC[N@H+]1C ZINC000925519599 646309901 /nfs/dbraw/zinc/30/99/01/646309901.db2.gz UVGZGFQSKJZRTO-WOPDTQHZSA-N 2 1 225.380 1.199 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925528991 646314738 /nfs/dbraw/zinc/31/47/38/646314738.db2.gz HUDLLXKQNBEFMC-ZDUSSCGKSA-N 2 1 239.407 1.593 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000925529252 646315971 /nfs/dbraw/zinc/31/59/71/646315971.db2.gz DEKVZEKAYFCZCZ-UWVGGRQHSA-N 2 1 214.378 1.612 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925527137 646318295 /nfs/dbraw/zinc/31/82/95/646318295.db2.gz MCDVQJGDYJUJQY-MNOVXSKESA-N 2 1 214.353 1.388 20 0 BDADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925525646 646318398 /nfs/dbraw/zinc/31/83/98/646318398.db2.gz DKEXVMZYTRZCOD-HZSPNIEDSA-N 2 1 242.407 1.761 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1CCCOC1 ZINC000925547318 646318875 /nfs/dbraw/zinc/31/88/75/646318875.db2.gz BKONEUOSJZVNAF-VXGBXAGGSA-N 2 1 224.348 1.430 20 0 BDADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2(C)C)C[N@H+]1C1CC1 ZINC000925542194 646323441 /nfs/dbraw/zinc/32/34/41/646323441.db2.gz NZMZVCXGVNYZIW-WZRBSPASSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccncc1 ZINC000925542716 646324428 /nfs/dbraw/zinc/32/44/28/646324428.db2.gz OKZYSEYARVJINX-YPMHNXCESA-N 2 1 233.359 1.915 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1(C)C ZINC000925543959 646324691 /nfs/dbraw/zinc/32/46/91/646324691.db2.gz XJZHKUSAKXWLSQ-OUAUKWLOSA-N 2 1 226.364 1.530 20 0 BDADMP C(C1CC1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925557814 646333187 /nfs/dbraw/zinc/33/31/87/646333187.db2.gz QPUDUVZXPWFQTE-ZIAGYGMSSA-N 2 1 249.402 1.345 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCF ZINC000925557916 646333852 /nfs/dbraw/zinc/33/38/52/646333852.db2.gz RLJJLXWRRXWERC-ZACCUICWSA-N 2 1 200.301 1.276 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCc1nccs1 ZINC000925568345 646337563 /nfs/dbraw/zinc/33/75/63/646337563.db2.gz JRTUGOOCJURSAP-SNVBAGLBSA-N 2 1 239.388 1.806 20 0 BDADMP c1[nH]nc2c1C[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000925585692 646347581 /nfs/dbraw/zinc/34/75/81/646347581.db2.gz VBZQHTZWKDSPPX-DGCLKSJQSA-N 2 1 246.358 1.141 20 0 BDADMP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925607485 646356722 /nfs/dbraw/zinc/35/67/22/646356722.db2.gz BTSPEELANQVKHS-OLZOCXBDSA-N 2 1 238.375 1.412 20 0 BDADMP CC[C@H](CO)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929847191 646357696 /nfs/dbraw/zinc/35/76/96/646357696.db2.gz LUYRGRCWVXRWIU-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929847191 646357701 /nfs/dbraw/zinc/35/77/01/646357701.db2.gz LUYRGRCWVXRWIU-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](CO)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929847191 646357708 /nfs/dbraw/zinc/35/77/08/646357708.db2.gz LUYRGRCWVXRWIU-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP Cn1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925628257 646375200 /nfs/dbraw/zinc/37/52/00/646375200.db2.gz ZLGLXCCTPXVIHP-CMPLNLGQSA-N 2 1 236.363 1.416 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925636892 646380202 /nfs/dbraw/zinc/38/02/02/646380202.db2.gz VRHVWHFLDLRPAI-FVCCEPFGSA-N 2 1 226.364 1.532 20 0 BDADMP CC(C)[C@@H](O)C1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925636928 646380662 /nfs/dbraw/zinc/38/06/62/646380662.db2.gz WCCIFYDQEASONM-NWDGAFQWSA-N 2 1 240.391 1.514 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925640149 646383322 /nfs/dbraw/zinc/38/33/22/646383322.db2.gz GLVOPZMCFJNWSO-DQOJRVPBSA-N 2 1 224.348 1.188 20 0 BDADMP CC(C)(O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925645126 646386810 /nfs/dbraw/zinc/38/68/10/646386810.db2.gz QFOLZIHHDJJAQU-LLVKDONJSA-N 2 1 226.364 1.412 20 0 BDADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000925663751 646398770 /nfs/dbraw/zinc/39/87/70/646398770.db2.gz VTMRAQASAAVEHK-AWEZNQCLSA-N 2 1 245.370 1.807 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925669109 646400761 /nfs/dbraw/zinc/40/07/61/646400761.db2.gz OZRSJGHLGWTCGT-RWMBFGLXSA-N 2 1 239.407 1.575 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925674265 646402976 /nfs/dbraw/zinc/40/29/76/646402976.db2.gz QQFCKHDLIXDMEQ-MXWKQRLJSA-N 2 1 210.321 1.038 20 0 BDADMP COCC1(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000925679508 646407918 /nfs/dbraw/zinc/40/79/18/646407918.db2.gz ZXNAXXGCYXIURV-QWHCGFSZSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925680705 646408634 /nfs/dbraw/zinc/40/86/34/646408634.db2.gz KUWSYWWBYQPPIU-VHSXEESVSA-N 2 1 214.353 1.266 20 0 BDADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925695433 646420592 /nfs/dbraw/zinc/42/05/92/646420592.db2.gz WVEMVURUKYEMTB-QJPTWQEYSA-N 2 1 224.348 1.022 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CS1 ZINC000925697515 646421991 /nfs/dbraw/zinc/42/19/91/646421991.db2.gz OUJZRVKVFNXSHE-VWYCJHECSA-N 2 1 226.389 1.755 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1)[NH2+]2 ZINC000925699937 646423453 /nfs/dbraw/zinc/42/34/53/646423453.db2.gz MFYJUDCLQNKWHL-WFQJECDVSA-N 3 1 237.391 1.375 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925701756 646425784 /nfs/dbraw/zinc/42/57/84/646425784.db2.gz DXPXAYJBEKVMKQ-DGCLKSJQSA-N 3 1 225.380 1.106 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccoc1 ZINC000925705893 646431464 /nfs/dbraw/zinc/43/14/64/646431464.db2.gz COZMMZCMHCYKJK-NSHDSACASA-N 2 1 208.305 1.552 20 0 BDADMP Cc1ccncc1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925708883 646432664 /nfs/dbraw/zinc/43/26/64/646432664.db2.gz SWZCWSQPHHJTPK-JSGCOSHPSA-N 2 1 233.359 1.663 20 0 BDADMP C[C@@H](CCC[NH3+])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925712922 646438298 /nfs/dbraw/zinc/43/82/98/646438298.db2.gz VZZNEVGAUXXHEK-NWDGAFQWSA-N 2 1 225.380 1.378 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1ccco1 ZINC000925715522 646441066 /nfs/dbraw/zinc/44/10/66/646441066.db2.gz JFSOJWATUZWXEL-DGCLKSJQSA-N 2 1 222.332 1.942 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925717987 646442249 /nfs/dbraw/zinc/44/22/49/646442249.db2.gz MJWTUHQAGCSKTN-IEECTRCBSA-N 2 1 238.375 1.673 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925717989 646442332 /nfs/dbraw/zinc/44/23/32/646442332.db2.gz MJWTUHQAGCSKTN-NZEXEKPDSA-N 2 1 238.375 1.673 20 0 BDADMP N[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C12CCC2 ZINC000925724934 646449936 /nfs/dbraw/zinc/44/99/36/646449936.db2.gz FUVCYXKFYAEVIC-ZDEQEGDKSA-N 2 1 237.391 1.363 20 0 BDADMP CC1(C)CO[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925729628 646454167 /nfs/dbraw/zinc/45/41/67/646454167.db2.gz KVHCVQBWNHRAGH-QWRGUYRKSA-N 2 1 226.364 1.532 20 0 BDADMP Cn1ccnc1[C@H]([NH2+]CCC(C)(C)[NH3+])C1CC1 ZINC000925740317 646461695 /nfs/dbraw/zinc/46/16/95/646461695.db2.gz IQXRYPHXCCYLKQ-LLVKDONJSA-N 2 1 236.363 1.588 20 0 BDADMP Nc1cc[nH+]c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000925769929 646471545 /nfs/dbraw/zinc/47/15/45/646471545.db2.gz CYNCBHULOLCHAV-JSGCOSHPSA-N 2 1 246.358 1.380 20 0 BDADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(C)c1 ZINC000925845103 646507743 /nfs/dbraw/zinc/50/77/43/646507743.db2.gz WXTXWRPNBIPUPG-MRVWCRGKSA-N 2 1 248.374 1.603 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCS1 ZINC000925861607 646515024 /nfs/dbraw/zinc/51/50/24/646515024.db2.gz QSCDFTDLSMLWAP-UTLUCORTSA-N 2 1 200.351 1.222 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCS1 ZINC000925862262 646515145 /nfs/dbraw/zinc/51/51/45/646515145.db2.gz ZIDQWSIVVADDMC-DDHJBXDOSA-N 2 1 228.405 1.858 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CC(F)(F)C1 ZINC000926205626 646595188 /nfs/dbraw/zinc/59/51/88/646595188.db2.gz BASXFOCWWWKCLL-SECBINFHSA-N 2 1 243.301 1.986 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926425098 646635790 /nfs/dbraw/zinc/63/57/90/646635790.db2.gz WOBITHQSWXNWSG-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926425098 646635793 /nfs/dbraw/zinc/63/57/93/646635793.db2.gz WOBITHQSWXNWSG-IHRRRGAJSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[C@H](C)CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000723787943 711537304 /nfs/dbraw/zinc/53/73/04/711537304.db2.gz QMZUSRMDAAWFRL-ZIAGYGMSSA-N 2 1 239.407 1.260 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907521 711545142 /nfs/dbraw/zinc/54/51/42/711545142.db2.gz MPNCDQQPQVKYOP-CHWSQXEVSA-N 2 1 228.380 1.576 20 0 BDADMP CO[C@H]1CC[C@H]1[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000724155053 711565267 /nfs/dbraw/zinc/56/52/67/711565267.db2.gz JXISMOGLYNRYKA-KXNHARMFSA-N 2 1 212.337 1.223 20 0 BDADMP CSCCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396626473 711702673 /nfs/dbraw/zinc/70/26/73/711702673.db2.gz FOTGKEOTEQWCTQ-GHMZBOCLSA-N 2 1 216.394 1.860 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000721965235 711845243 /nfs/dbraw/zinc/84/52/43/711845243.db2.gz YSLBHDNDSHAISQ-KBPBESRZSA-N 2 1 242.407 1.966 20 0 BDADMP C[C@H]1SCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000132493327 711960051 /nfs/dbraw/zinc/96/00/51/711960051.db2.gz VDWSSWFMUQSKJH-KKOKHZNYSA-N 2 1 228.405 1.940 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702072039 712038135 /nfs/dbraw/zinc/03/81/35/712038135.db2.gz XNOFRNYNCJBUDM-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCCCCCC2)C1 ZINC000702554305 712055223 /nfs/dbraw/zinc/05/52/23/712055223.db2.gz TUTUIXASBXIBHW-CQSZACIVSA-N 2 1 240.391 1.756 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCCCCCC2)C1 ZINC000702554305 712055224 /nfs/dbraw/zinc/05/52/24/712055224.db2.gz TUTUIXASBXIBHW-CQSZACIVSA-N 2 1 240.391 1.756 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000705164028 712124624 /nfs/dbraw/zinc/12/46/24/712124624.db2.gz DMGLUGNGBLJOLF-RDBSUJKOSA-N 3 1 239.407 1.116 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(CCOC3)C2)C1 ZINC000707638409 712176491 /nfs/dbraw/zinc/17/64/91/712176491.db2.gz XPZZIBJJFCWVST-XQQFMLRXSA-N 2 1 224.348 1.226 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000708187117 712184262 /nfs/dbraw/zinc/18/42/62/712184262.db2.gz RAUAFXILIJPDJH-KKOKHZNYSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)[C@H]1C[NH3+] ZINC000708321842 712186241 /nfs/dbraw/zinc/18/62/41/712186241.db2.gz AQNIBZMNBJAWJR-AGIUHOORSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)[C@H]1C[NH3+] ZINC000708321842 712186244 /nfs/dbraw/zinc/18/62/44/712186244.db2.gz AQNIBZMNBJAWJR-AGIUHOORSA-N 2 1 240.391 1.861 20 0 BDADMP CCC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000709073481 712207675 /nfs/dbraw/zinc/20/76/75/712207675.db2.gz MVNIEXDZEWHWSN-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2 ZINC000709821030 712228825 /nfs/dbraw/zinc/22/88/25/712228825.db2.gz DLIKXLZCTIXVJO-AVGNSLFASA-N 2 1 208.349 1.988 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCC[NH3+])CCN1C ZINC000710725080 712255494 /nfs/dbraw/zinc/25/54/94/712255494.db2.gz SGBRWKDEGVPIJI-ZIAGYGMSSA-N 2 1 241.423 1.920 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCCCC[NH3+])CC[N@@H+]1C ZINC000710725080 712255495 /nfs/dbraw/zinc/25/54/95/712255495.db2.gz SGBRWKDEGVPIJI-ZIAGYGMSSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCCCCC[NH3+])CC[N@H+]1C ZINC000710725080 712255497 /nfs/dbraw/zinc/25/54/97/712255497.db2.gz SGBRWKDEGVPIJI-ZIAGYGMSSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCC[NH3+])CC[NH+]1C ZINC000710725080 712255498 /nfs/dbraw/zinc/25/54/98/712255498.db2.gz SGBRWKDEGVPIJI-ZIAGYGMSSA-N 3 1 241.423 1.920 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCC[NH3+])CC[NH+]1C ZINC000710725080 712255499 /nfs/dbraw/zinc/25/54/99/712255499.db2.gz SGBRWKDEGVPIJI-ZIAGYGMSSA-N 3 1 241.423 1.920 20 0 BDADMP CN(CCCCCC[NH3+])CC[NH+]1CCCCC1 ZINC000710750599 712256321 /nfs/dbraw/zinc/25/63/21/712256321.db2.gz NHTRCUKZSXTNQN-UHFFFAOYSA-N 2 1 241.423 1.923 20 0 BDADMP FC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000711451359 712302024 /nfs/dbraw/zinc/30/20/24/712302024.db2.gz CNQGBRWEIYJIPB-WDEREUQCSA-N 2 1 200.301 1.277 20 0 BDADMP C[N@@H+](CCOC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000711753579 712324733 /nfs/dbraw/zinc/32/47/33/712324733.db2.gz RHNPCGRYGADKRG-FOSCPWQOSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOC2CC2)[C@@H]1C ZINC000711784646 712330196 /nfs/dbraw/zinc/33/01/96/712330196.db2.gz GFQTVMSJKWXAFC-IJLUTSLNSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOC2CC2)[C@@H]1C ZINC000711784646 712330198 /nfs/dbraw/zinc/33/01/98/712330198.db2.gz GFQTVMSJKWXAFC-IJLUTSLNSA-N 2 1 226.364 1.613 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCCCCCC1)C1CC1 ZINC000379746823 712397234 /nfs/dbraw/zinc/39/72/34/712397234.db2.gz WXAYIWKKZIRXGY-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC[N@@H+](CCN)CCCOC(F)(F)F ZINC000713398111 712459008 /nfs/dbraw/zinc/45/90/08/712459008.db2.gz DZYZMAJPYDIHBA-UHFFFAOYSA-N 2 1 214.231 1.194 20 0 BDADMP CC[N@H+](CC[NH3+])CCCOC(F)(F)F ZINC000713398111 712459009 /nfs/dbraw/zinc/45/90/09/712459009.db2.gz DZYZMAJPYDIHBA-UHFFFAOYSA-N 2 1 214.231 1.194 20 0 BDADMP CC[N@@H+](CC[NH3+])CCCOC(F)(F)F ZINC000713398111 712459012 /nfs/dbraw/zinc/45/90/12/712459012.db2.gz DZYZMAJPYDIHBA-UHFFFAOYSA-N 2 1 214.231 1.194 20 0 BDADMP C[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000715499731 712524025 /nfs/dbraw/zinc/52/40/25/712524025.db2.gz HOEGLEUVXIZTBW-IHRRRGAJSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000715499731 712524026 /nfs/dbraw/zinc/52/40/26/712524026.db2.gz HOEGLEUVXIZTBW-IHRRRGAJSA-N 2 1 238.375 1.613 20 0 BDADMP CC[C@@H](C[C@@H](C)O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716847323 712578433 /nfs/dbraw/zinc/57/84/33/712578433.db2.gz ROSDNURWFHDZOZ-NEPJUHHUSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717370386 712652725 /nfs/dbraw/zinc/65/27/25/712652725.db2.gz CZIQWUIOCRVRHM-RWMBFGLXSA-N 2 1 240.391 1.922 20 0 BDADMP CN1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000037649341 712734030 /nfs/dbraw/zinc/73/40/30/712734030.db2.gz NLZDIUPJHJJLMS-LBPRGKRZSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037649341 712734031 /nfs/dbraw/zinc/73/40/31/712734031.db2.gz NLZDIUPJHJJLMS-LBPRGKRZSA-N 2 1 237.391 1.155 20 0 BDADMP CC(F)(F)CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000718612406 712773028 /nfs/dbraw/zinc/77/30/28/712773028.db2.gz PEXDWTSSGXFKQH-WDEREUQCSA-N 2 1 232.318 1.963 20 0 BDADMP C[C@@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719843969 712825460 /nfs/dbraw/zinc/82/54/60/712825460.db2.gz FUPOMYLHYUEYBW-MNOVXSKESA-N 2 1 239.388 1.602 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000719889837 712826534 /nfs/dbraw/zinc/82/65/34/712826534.db2.gz OFRKRWODLJLIEH-SNVBAGLBSA-N 2 1 225.361 1.356 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@H](O)CN1CCCC1 ZINC000381270072 710615156 /nfs/dbraw/zinc/61/51/56/710615156.db2.gz VGTHEOFTZROOPF-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000381270072 710615164 /nfs/dbraw/zinc/61/51/64/710615164.db2.gz VGTHEOFTZROOPF-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000381270072 710615168 /nfs/dbraw/zinc/61/51/68/710615168.db2.gz VGTHEOFTZROOPF-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP COC[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C(C)C ZINC000721922821 710692964 /nfs/dbraw/zinc/69/29/64/710692964.db2.gz WUUJRIBXPYSOCC-QWHCGFSZSA-N 2 1 228.380 1.576 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](COC)C(C)C)C1 ZINC000721963004 710694736 /nfs/dbraw/zinc/69/47/36/710694736.db2.gz QROWBGUKUISCNM-KGLIPLIRSA-N 2 1 242.407 1.836 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000723080919 710726940 /nfs/dbraw/zinc/72/69/40/710726940.db2.gz SGCJCITYQZJFQD-AGIUHOORSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1[nH]c(CN2CCC[C@@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC000724783311 710746672 /nfs/dbraw/zinc/74/66/72/710746672.db2.gz ZMHUTJOZVSLQJW-GFCCVEGCSA-N 2 1 236.363 1.553 20 0 BDADMP CC[C@H]1C[C@H](C)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000399117511 710913411 /nfs/dbraw/zinc/91/34/11/710913411.db2.gz NFMCSEHGNDHODF-RNJOBUHISA-N 2 1 210.365 1.962 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000382945703 710975551 /nfs/dbraw/zinc/97/55/51/710975551.db2.gz SCJCZKIDQQJNFZ-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@H](C)O1 ZINC000384865237 710998053 /nfs/dbraw/zinc/99/80/53/710998053.db2.gz FCWJPDYLFWPLQY-HYVWJVTBSA-N 2 1 236.359 1.138 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000389318036 711076349 /nfs/dbraw/zinc/07/63/49/711076349.db2.gz FYUIADDGOZUIBG-MDZLAQPJSA-N 2 1 208.349 1.859 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)o1 ZINC000390464757 711119074 /nfs/dbraw/zinc/11/90/74/711119074.db2.gz HKEXHDLATGARSL-CHWSQXEVSA-N 2 1 220.316 1.548 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCCCC1 ZINC000390660741 711131169 /nfs/dbraw/zinc/13/11/69/711131169.db2.gz QAQINBOZBUOCFU-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP C[NH+]1CCC(C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000392184501 711143082 /nfs/dbraw/zinc/14/30/82/711143082.db2.gz CAUYHKUDGRRYIC-UHFFFAOYSA-N 3 1 237.391 1.180 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392948799 711155026 /nfs/dbraw/zinc/15/50/26/711155026.db2.gz VHZKVGDBFIWYMG-CHWSQXEVSA-N 2 1 224.348 1.405 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000393661437 711167672 /nfs/dbraw/zinc/16/76/72/711167672.db2.gz WPZCMPXYQZSFKU-VGMNWLOBSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000393661437 711167673 /nfs/dbraw/zinc/16/76/73/711167673.db2.gz WPZCMPXYQZSFKU-VGMNWLOBSA-N 2 1 206.280 1.699 20 0 BDADMP C(CC1CC1)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000394459646 711192627 /nfs/dbraw/zinc/19/26/27/711192627.db2.gz UBQXLEHDGTYTEZ-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP C[N@H+](C[C@@H]1COc2ccccc2O1)C1CC([NH3+])C1 ZINC000395119946 711201750 /nfs/dbraw/zinc/20/17/50/711201750.db2.gz WVFSFSHTMTUFBH-HTAVTVPLSA-N 2 1 248.326 1.248 20 0 BDADMP C[N@@H+](C[C@@H]1COc2ccccc2O1)C1CC([NH3+])C1 ZINC000395119946 711201752 /nfs/dbraw/zinc/20/17/52/711201752.db2.gz WVFSFSHTMTUFBH-HTAVTVPLSA-N 2 1 248.326 1.248 20 0 BDADMP CC1(C)CC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000395180398 711205279 /nfs/dbraw/zinc/20/52/79/711205279.db2.gz MYRWEPOJSIRWBF-OLZOCXBDSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)CC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000395180398 711205286 /nfs/dbraw/zinc/20/52/86/711205286.db2.gz MYRWEPOJSIRWBF-OLZOCXBDSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000395334877 711207376 /nfs/dbraw/zinc/20/73/76/711207376.db2.gz UJDREZLZULZGMT-CYBMUJFWSA-N 2 1 236.363 1.171 20 0 BDADMP CSC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396621877 711361126 /nfs/dbraw/zinc/36/11/26/711361126.db2.gz DNTVEFBQVCVXPY-UWVGGRQHSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@@H]1NCCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000396631316 711361199 /nfs/dbraw/zinc/36/11/99/711361199.db2.gz XTUSYDSVBIKZDL-WCQYABFASA-N 2 1 226.364 1.676 20 0 BDADMP CSC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396639638 711357103 /nfs/dbraw/zinc/35/71/03/711357103.db2.gz IKHSXEFJMRQDRI-ZJUUUORDSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000396587451 711357171 /nfs/dbraw/zinc/35/71/71/711357171.db2.gz IGFXKECSQUJYFT-QWHCGFSZSA-N 2 1 240.391 1.659 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000396606865 711358441 /nfs/dbraw/zinc/35/84/41/711358441.db2.gz PGDFWGAINMCOBV-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000396602695 711358944 /nfs/dbraw/zinc/35/89/44/711358944.db2.gz BJGRAVNUFKNLLE-NWDGAFQWSA-N 3 1 213.369 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000396606872 711359310 /nfs/dbraw/zinc/35/93/10/711359310.db2.gz PGDFWGAINMCOBV-TUAOUCFPSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC(F)F ZINC000398185535 711404094 /nfs/dbraw/zinc/40/40/94/711404094.db2.gz OMPLBVDEVJZRDC-JGVFFNPUSA-N 2 1 208.252 1.037 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOC(F)F ZINC000398185535 711404097 /nfs/dbraw/zinc/40/40/97/711404097.db2.gz OMPLBVDEVJZRDC-JGVFFNPUSA-N 2 1 208.252 1.037 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCOC(F)F ZINC000398273104 711406867 /nfs/dbraw/zinc/40/68/67/711406867.db2.gz HGIUBMYAMNTTSX-RKDXNWHRSA-N 2 1 222.279 1.346 20 0 BDADMP C[C@H]1COCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000399249392 711425853 /nfs/dbraw/zinc/42/58/53/711425853.db2.gz FDRLPQMYROVELQ-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP COC[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])C(C)C ZINC000721913127 710692202 /nfs/dbraw/zinc/69/22/02/710692202.db2.gz OEGHSSVLLGBHSH-GFCCVEGCSA-N 2 1 230.396 1.822 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000392645025 711150318 /nfs/dbraw/zinc/15/03/18/711150318.db2.gz RADFWXWGXKPCIK-JQWIXIFHSA-N 2 1 235.331 1.360 20 0 BDADMP C[N@@H+](C[C@@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394330027 711189518 /nfs/dbraw/zinc/18/95/18/711189518.db2.gz OHRQYFYZINBXBU-QNMSZWNNSA-N 2 1 238.375 1.314 20 0 BDADMP C[NH+](C[C@@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394330027 711189519 /nfs/dbraw/zinc/18/95/19/711189519.db2.gz OHRQYFYZINBXBU-QNMSZWNNSA-N 2 1 238.375 1.314 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(C)C ZINC000394368483 711190083 /nfs/dbraw/zinc/19/00/83/711190083.db2.gz VEQWYWGVSJTDFL-QQKNPXLJSA-N 2 1 238.375 1.243 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396650278 711362429 /nfs/dbraw/zinc/36/24/29/711362429.db2.gz DHAJQMJFPQXGSI-UTUOFQBUSA-N 2 1 214.353 1.125 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000396646786 711363331 /nfs/dbraw/zinc/36/33/31/711363331.db2.gz CKSFJUPJUGEEEY-MVWJERBFSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000396669774 711363347 /nfs/dbraw/zinc/36/33/47/711363347.db2.gz QKAHWDWSYIIOFR-YPMHNXCESA-N 2 1 219.332 1.354 20 0 BDADMP CCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)COC1 ZINC000396705447 711367107 /nfs/dbraw/zinc/36/71/07/711367107.db2.gz JCKKCYKUPOWCMF-QWRGUYRKSA-N 2 1 212.337 1.143 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC3(C2)CCOCC3)C1 ZINC000383224619 711477131 /nfs/dbraw/zinc/47/71/31/711477131.db2.gz AIQTYWDGTRNZTM-QWHCGFSZSA-N 2 1 238.375 1.616 20 0 BDADMP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000045662925 711488095 /nfs/dbraw/zinc/48/80/95/711488095.db2.gz FRLKTTRHXSRMBF-AGUYFDCRSA-N 2 1 239.407 1.543 20 0 BDADMP CN1[C@@H]2CC[C@H]1CC([NH2+]CCCC[NH+](C)C)C2 ZINC000045662925 711488097 /nfs/dbraw/zinc/48/80/97/711488097.db2.gz FRLKTTRHXSRMBF-AGUYFDCRSA-N 2 1 239.407 1.543 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723670498 711533493 /nfs/dbraw/zinc/53/34/93/711533493.db2.gz SZTGZICRLJBKRY-NSHDSACASA-N 2 1 235.331 1.266 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000723877825 711541770 /nfs/dbraw/zinc/54/17/70/711541770.db2.gz ZGSGQRYNCPYLDU-AWEZNQCLSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000723877825 711541771 /nfs/dbraw/zinc/54/17/71/711541771.db2.gz ZGSGQRYNCPYLDU-AWEZNQCLSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1cc(C)nc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000723878991 711542076 /nfs/dbraw/zinc/54/20/76/711542076.db2.gz IXGFIEYHDCJFET-UHFFFAOYSA-N 2 1 237.347 1.106 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723882505 711543181 /nfs/dbraw/zinc/54/31/81/711543181.db2.gz ISEWDNBFRJMISG-MWLCHTKSSA-N 2 1 223.320 1.400 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1CC[NH3+] ZINC000723899366 711545147 /nfs/dbraw/zinc/54/51/47/711545147.db2.gz BLJSRONBRCILPJ-BPLDGKMQSA-N 2 1 248.370 1.637 20 0 BDADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000382658733 711546653 /nfs/dbraw/zinc/54/66/53/711546653.db2.gz WQEJAAKDRWHTEH-HZSPNIEDSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000382657878 711546898 /nfs/dbraw/zinc/54/68/98/711546898.db2.gz HXTFGXORLCLNEC-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000382657878 711546901 /nfs/dbraw/zinc/54/69/01/711546901.db2.gz HXTFGXORLCLNEC-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]21 ZINC000228544120 711636297 /nfs/dbraw/zinc/63/62/97/711636297.db2.gz YBIGQAITPGRAMU-BTIZVGEESA-N 2 1 214.740 1.798 20 0 BDADMP Cc1coc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000718038771 711640537 /nfs/dbraw/zinc/64/05/37/711640537.db2.gz WWANCDDTDOIXLH-UHFFFAOYSA-N 2 1 220.316 1.940 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000393787863 711678535 /nfs/dbraw/zinc/67/85/35/711678535.db2.gz FYEQJYLUWAEWGN-PWSUYJOCSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000393787863 711678537 /nfs/dbraw/zinc/67/85/37/711678537.db2.gz FYEQJYLUWAEWGN-PWSUYJOCSA-N 2 1 214.353 1.207 20 0 BDADMP Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000311230794 711682968 /nfs/dbraw/zinc/68/29/68/711682968.db2.gz SWSUMXJTEWNXOV-WOPDTQHZSA-N 2 1 249.362 1.079 20 0 BDADMP COC/C(C)=C/C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930555336 711696803 /nfs/dbraw/zinc/69/68/03/711696803.db2.gz MFTOZBUEUAYOLV-QJIMOZNHSA-N 2 1 238.375 1.607 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ncn1 ZINC000931439077 711713263 /nfs/dbraw/zinc/71/32/63/711713263.db2.gz RIEAPEKMVXIUGS-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ncn1 ZINC000931439077 711713264 /nfs/dbraw/zinc/71/32/64/711713264.db2.gz RIEAPEKMVXIUGS-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ncn1 ZINC000931439077 711713266 /nfs/dbraw/zinc/71/32/66/711713266.db2.gz RIEAPEKMVXIUGS-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ncn1 ZINC000931439077 711713267 /nfs/dbraw/zinc/71/32/67/711713267.db2.gz RIEAPEKMVXIUGS-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925718159 711713798 /nfs/dbraw/zinc/71/37/98/711713798.db2.gz XCSQOHWTUMYGSY-STQMWFEESA-N 2 1 240.391 1.922 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000925759817 711735851 /nfs/dbraw/zinc/73/58/51/711735851.db2.gz HUWLRUDPOAWWRZ-STQMWFEESA-N 3 1 239.407 1.707 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000925759813 711735857 /nfs/dbraw/zinc/73/58/57/711735857.db2.gz HUWLRUDPOAWWRZ-OLZOCXBDSA-N 3 1 239.407 1.707 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000399443476 711747348 /nfs/dbraw/zinc/74/73/48/711747348.db2.gz VANROENZGQMXKJ-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721797585 711770015 /nfs/dbraw/zinc/77/00/15/711770015.db2.gz GVVCQBNBCMUTTN-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721797585 711770016 /nfs/dbraw/zinc/77/00/16/711770016.db2.gz GVVCQBNBCMUTTN-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721797585 711770017 /nfs/dbraw/zinc/77/00/17/711770017.db2.gz GVVCQBNBCMUTTN-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000399265436 711781989 /nfs/dbraw/zinc/78/19/89/711781989.db2.gz RHNRSYUGMLUVJM-HTQZYQBOSA-N 2 1 225.163 1.849 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000721870058 711792982 /nfs/dbraw/zinc/79/29/82/711792982.db2.gz AYGPUEDLHIENEZ-MELADBBJSA-N 2 1 242.407 1.977 20 0 BDADMP O[C@@H](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000721345210 711802736 /nfs/dbraw/zinc/80/27/36/711802736.db2.gz XPJFARNNPIGSNZ-ZNMIVQPWSA-N 2 1 246.354 1.261 20 0 BDADMP COC[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)C(C)C ZINC000721914056 711918082 /nfs/dbraw/zinc/91/80/82/711918082.db2.gz QXQFGTAGKTXPPT-GFCCVEGCSA-N 2 1 228.380 1.589 20 0 BDADMP C[C@@H](CC[NH2+]Cc1ccncc1)[NH+](C)C ZINC000700488080 711994853 /nfs/dbraw/zinc/99/48/53/711994853.db2.gz BJBMYJOJRHLOSI-NSHDSACASA-N 2 1 207.321 1.511 20 0 BDADMP COC(=O)N(C)CC[N@@H+](C)CCCCCC[NH3+] ZINC000700788018 712005091 /nfs/dbraw/zinc/00/50/91/712005091.db2.gz ITPBDKALUMUKOT-UHFFFAOYSA-N 2 1 245.367 1.136 20 0 BDADMP C1=C(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000702347295 712045715 /nfs/dbraw/zinc/04/57/15/712045715.db2.gz WOLICNDJBJYWIV-QSLWVIQJSA-N 2 1 218.344 1.683 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000703162656 712067012 /nfs/dbraw/zinc/06/70/12/712067012.db2.gz JLYQLRHLENLJKP-HBIQZDMRSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1ccncc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703547025 712078621 /nfs/dbraw/zinc/07/86/21/712078621.db2.gz GVTCBAACSRRCRH-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703547025 712078622 /nfs/dbraw/zinc/07/86/22/712078622.db2.gz GVTCBAACSRRCRH-UONOGXRCSA-N 2 1 231.343 1.431 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000703580508 712079837 /nfs/dbraw/zinc/07/98/37/712079837.db2.gz AIZJPAMEZQZLMA-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP Cc1nccnc1C[N@@H+](C)CCCCCC[NH3+] ZINC000703868630 712091696 /nfs/dbraw/zinc/09/16/96/712091696.db2.gz FGQVYKUUWBLRSD-UHFFFAOYSA-N 2 1 236.363 1.736 20 0 BDADMP CN(CCC[NH2+]C1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705135902 712122429 /nfs/dbraw/zinc/12/24/29/712122429.db2.gz ZWYUCKBWNHHGAQ-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP C[NH+]1C[C@@]2(C)C[NH+](CCCCO)C[C@]2(C)C1 ZINC000705659411 712134771 /nfs/dbraw/zinc/13/47/71/712134771.db2.gz NFCNMKOHFRDFPR-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H]1CCCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000705913659 712138953 /nfs/dbraw/zinc/13/89/53/712138953.db2.gz SDEAHTUVVFLEDP-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000706544522 712149464 /nfs/dbraw/zinc/14/94/64/712149464.db2.gz RTRQJIUTTAMPNA-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP COC(=O)CCCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000707493068 712172591 /nfs/dbraw/zinc/17/25/91/712172591.db2.gz BUVJOFYWBVCAHH-UHFFFAOYSA-N 2 1 242.363 1.531 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000707649612 712176464 /nfs/dbraw/zinc/17/64/64/712176464.db2.gz GDWMUDLHILPISF-CYBMUJFWSA-N 2 1 224.348 1.241 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000708270783 712184516 /nfs/dbraw/zinc/18/45/16/712184516.db2.gz NDBWLJQVFLVGMV-AGIUHOORSA-N 2 1 226.364 1.200 20 0 BDADMP CCOC[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000708285125 712185597 /nfs/dbraw/zinc/18/55/97/712185597.db2.gz DZCZMTXJUXQPFY-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000708323136 712187460 /nfs/dbraw/zinc/18/74/60/712187460.db2.gz LJLDCHGMAZQACT-SGMGOOAPSA-N 2 1 238.375 1.343 20 0 BDADMP C[NH2+][C@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681284 712215629 /nfs/dbraw/zinc/21/56/29/712215629.db2.gz BBOUTSAKQSOYBG-NEPJUHHUSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681284 712215631 /nfs/dbraw/zinc/21/56/31/712215631.db2.gz BBOUTSAKQSOYBG-NEPJUHHUSA-N 2 1 240.391 1.874 20 0 BDADMP COCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000709285907 712219400 /nfs/dbraw/zinc/21/94/00/712219400.db2.gz QQLJPQCYWUSPIB-QWRGUYRKSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H](O)[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000709414405 712221371 /nfs/dbraw/zinc/22/13/71/712221371.db2.gz JHVCLUMBCUTJLR-OCCSQVGLSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709795617 712227373 /nfs/dbraw/zinc/22/73/73/712227373.db2.gz SBKBVDUDPAYPFN-RKDXNWHRSA-N 2 1 224.270 1.856 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccnc1)C2 ZINC000709820126 712228260 /nfs/dbraw/zinc/22/82/60/712228260.db2.gz ARNBQOAPABJMRA-XQQFMLRXSA-N 2 1 217.316 1.393 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCF)C2 ZINC000709823618 712228656 /nfs/dbraw/zinc/22/86/56/712228656.db2.gz QVBBWJAUFINITJ-TUAOUCFPSA-N 2 1 214.328 1.938 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccns2)CC[N@H+]1C ZINC000709826013 712228677 /nfs/dbraw/zinc/22/86/77/712228677.db2.gz OSWSUXXEHZAVER-MNOVXSKESA-N 2 1 239.388 1.758 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccncc1)C2 ZINC000709822280 712228829 /nfs/dbraw/zinc/22/88/29/712228829.db2.gz GHHZGPKPWHMDSF-AVGNSLFASA-N 2 1 217.316 1.393 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CCCCO1)C2 ZINC000709864921 712229855 /nfs/dbraw/zinc/22/98/55/712229855.db2.gz VOHMIJPUXUENHU-CRWXNKLISA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCN1CCCCC1 ZINC000710750599 712256318 /nfs/dbraw/zinc/25/63/18/712256318.db2.gz NHTRCUKZSXTNQN-UHFFFAOYSA-N 2 1 241.423 1.923 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CC[C@@H]1CCOC1 ZINC000710781945 712256612 /nfs/dbraw/zinc/25/66/12/712256612.db2.gz QEBFSSNVOIFLLO-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000711110254 712281461 /nfs/dbraw/zinc/28/14/61/712281461.db2.gz PCDKUMJLPNSCCS-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000711110254 712281462 /nfs/dbraw/zinc/28/14/62/712281462.db2.gz PCDKUMJLPNSCCS-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](CF)C1 ZINC000711417189 712299220 /nfs/dbraw/zinc/29/92/20/712299220.db2.gz UEPZRSVMAVQTJV-VWYCJHECSA-N 2 1 200.301 1.133 20 0 BDADMP FC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000711443566 712300520 /nfs/dbraw/zinc/30/05/20/712300520.db2.gz MWGHIYCOWGNNQZ-MNOVXSKESA-N 2 1 200.301 1.277 20 0 BDADMP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923435143 712322055 /nfs/dbraw/zinc/32/20/55/712322055.db2.gz DRELJIDAVBFNOJ-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC[C@H]1CC[NH2+]C1 ZINC000923435143 712322056 /nfs/dbraw/zinc/32/20/56/712322056.db2.gz DRELJIDAVBFNOJ-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]1CC[N@@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711754307 712324932 /nfs/dbraw/zinc/32/49/32/712324932.db2.gz UDRAYRKKLQBKEE-WDEREUQCSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000711809070 712329395 /nfs/dbraw/zinc/32/93/95/712329395.db2.gz XILYWDUTPXXTNW-LLVKDONJSA-N 2 1 248.374 1.777 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000923479855 712334212 /nfs/dbraw/zinc/33/42/12/712334212.db2.gz DPDKCTKNWHPBDK-AWEZNQCLSA-N 3 1 239.407 1.437 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480101 712334385 /nfs/dbraw/zinc/33/43/85/712334385.db2.gz FJLZXMWIJQSMPA-SNVBAGLBSA-N 2 1 223.320 1.408 20 0 BDADMP CC1(C)[C@@H]2C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]21 ZINC000379559843 712388084 /nfs/dbraw/zinc/38/80/84/712388084.db2.gz POZAHDZBJHQYJG-XHNCKOQMSA-N 2 1 218.291 1.557 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]21 ZINC000379559843 712388085 /nfs/dbraw/zinc/38/80/85/712388085.db2.gz POZAHDZBJHQYJG-XHNCKOQMSA-N 2 1 218.291 1.557 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCCCCCC1)C1CC1 ZINC000379746823 712397232 /nfs/dbraw/zinc/39/72/32/712397232.db2.gz WXAYIWKKZIRXGY-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713588923 712466065 /nfs/dbraw/zinc/46/60/65/712466065.db2.gz YGWQFHOKMFDBJT-GXTWGEPZSA-N 2 1 240.391 1.862 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000713735589 712470478 /nfs/dbraw/zinc/47/04/78/712470478.db2.gz PRGDNEPXVZCERM-LDIIPZEWSA-N 2 1 206.333 1.803 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714376439 712485040 /nfs/dbraw/zinc/48/50/40/712485040.db2.gz ZQGWNKULACRXAQ-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000714444214 712489202 /nfs/dbraw/zinc/48/92/02/712489202.db2.gz RWACTOFEIOCEDQ-MQYQWHSLSA-N 2 1 238.375 1.628 20 0 BDADMP CCC1([NH3+])CC[NH+](Cc2ccncc2)CC1 ZINC000714759317 712497810 /nfs/dbraw/zinc/49/78/10/712497810.db2.gz YPNBDLFHBFWRHE-UHFFFAOYSA-N 2 1 219.332 1.785 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C[NH3+] ZINC000714778598 712498374 /nfs/dbraw/zinc/49/83/74/712498374.db2.gz JVZNOJXVMRMKLX-ZRJCITRHSA-N 2 1 222.376 1.949 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000715115877 712510600 /nfs/dbraw/zinc/51/06/00/712510600.db2.gz QYAMETMYWMYPKB-NEPJUHHUSA-N 2 1 242.363 1.069 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715493007 712523455 /nfs/dbraw/zinc/52/34/55/712523455.db2.gz BIMNHHNVNVWNSL-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715493007 712523456 /nfs/dbraw/zinc/52/34/56/712523456.db2.gz BIMNHHNVNVWNSL-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037157661 712549582 /nfs/dbraw/zinc/54/95/82/712549582.db2.gz QUXODCYOBTUOHD-RLAWYHOSSA-N 2 1 248.374 1.486 20 0 BDADMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000716545513 712567511 /nfs/dbraw/zinc/56/75/11/712567511.db2.gz LKHWORYDGPUXDS-UVLXDEKHSA-N 2 1 222.376 1.962 20 0 BDADMP CC[C@@H](C[C@@H](C)O)[NH2+]C1CC[NH+](CC)CC1 ZINC000716803093 712575411 /nfs/dbraw/zinc/57/54/11/712575411.db2.gz SNELGCRQKDUKAV-NEPJUHHUSA-N 2 1 228.380 1.610 20 0 BDADMP CC[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716847328 712578320 /nfs/dbraw/zinc/57/83/20/712578320.db2.gz ROSDNURWFHDZOZ-NWDGAFQWSA-N 2 1 240.391 1.752 20 0 BDADMP C1=CO[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000379960214 712636639 /nfs/dbraw/zinc/63/66/39/712636639.db2.gz AZWMXSVAZRCPKE-VZKILSJISA-N 2 1 234.343 1.265 20 0 BDADMP CNc1cc(N[C@@H](C)C[N@H+](C)C(C)C)nc[nH+]1 ZINC000379985849 712644298 /nfs/dbraw/zinc/64/42/98/712644298.db2.gz QWEMXERKOYVFCK-JTQLQIEISA-N 2 1 237.351 1.659 20 0 BDADMP CNc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc[nH+]1 ZINC000379985849 712644299 /nfs/dbraw/zinc/64/42/99/712644299.db2.gz QWEMXERKOYVFCK-JTQLQIEISA-N 2 1 237.351 1.659 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(C)(C)O ZINC000717429415 712657346 /nfs/dbraw/zinc/65/73/46/712657346.db2.gz IVNZJHGFUSSGQR-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(C)(C)O ZINC000717429415 712657347 /nfs/dbraw/zinc/65/73/47/712657347.db2.gz IVNZJHGFUSSGQR-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(C)(C)O ZINC000717429415 712657348 /nfs/dbraw/zinc/65/73/48/712657348.db2.gz IVNZJHGFUSSGQR-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(C)(C)O ZINC000717429415 712657349 /nfs/dbraw/zinc/65/73/49/712657349.db2.gz IVNZJHGFUSSGQR-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C1CC1[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925495681 712698634 /nfs/dbraw/zinc/69/86/34/712698634.db2.gz NGHNQCLHGOSVHA-JSGCOSHPSA-N 2 1 249.402 1.487 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CSCCS2)CC1 ZINC000157167775 712722076 /nfs/dbraw/zinc/72/20/76/712722076.db2.gz RORSSJKNEUPQBC-NSHDSACASA-N 2 1 246.445 1.519 20 0 BDADMP C[NH+]1CCC(NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000037649341 712734029 /nfs/dbraw/zinc/73/40/29/712734029.db2.gz NLZDIUPJHJJLMS-LBPRGKRZSA-N 2 1 237.391 1.155 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000038041043 712801087 /nfs/dbraw/zinc/80/10/87/712801087.db2.gz RCYSTVRTSXIBRU-SNVBAGLBSA-N 2 1 248.326 1.818 20 0 BDADMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)nc(C)n1 ZINC000719597736 712813636 /nfs/dbraw/zinc/81/36/36/712813636.db2.gz DWDXHAYWEUUXRL-ONGXEEELSA-N 2 1 220.320 1.598 20 0 BDADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000719649015 712820465 /nfs/dbraw/zinc/82/04/65/712820465.db2.gz SDOPBEGBXYCUBE-TZMCWYRMSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000719649015 712820466 /nfs/dbraw/zinc/82/04/66/712820466.db2.gz SDOPBEGBXYCUBE-TZMCWYRMSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCc1ccns1)C2 ZINC000719872326 712824720 /nfs/dbraw/zinc/82/47/20/712824720.db2.gz MDOYPXKGKKUYBB-CMPLNLGQSA-N 2 1 237.372 1.227 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCc1ccns1)C2 ZINC000719872326 712824721 /nfs/dbraw/zinc/82/47/21/712824721.db2.gz MDOYPXKGKKUYBB-CMPLNLGQSA-N 2 1 237.372 1.227 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])CCO1 ZINC000719782574 712824832 /nfs/dbraw/zinc/82/48/32/712824832.db2.gz PAGOMVZCANLGHD-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CC[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720291368 712830445 /nfs/dbraw/zinc/83/04/45/712830445.db2.gz FBCGRZRNLHQDFX-NWDGAFQWSA-N 2 1 226.364 1.533 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000720380729 712837070 /nfs/dbraw/zinc/83/70/70/712837070.db2.gz SXXZVCHUPMHKOS-LLVKDONJSA-N 2 1 223.320 1.544 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]c(CO)c1 ZINC000720483280 712846716 /nfs/dbraw/zinc/84/67/16/712846716.db2.gz JHLRRHIIHXVWPG-UONOGXRCSA-N 2 1 247.342 1.247 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(C)nn1 ZINC000720534637 712849561 /nfs/dbraw/zinc/84/95/61/712849561.db2.gz XWFSSWXYRFVUTF-LBPRGKRZSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)nn1 ZINC000720567334 712852464 /nfs/dbraw/zinc/85/24/64/712852464.db2.gz OSFCAJZPSDARHF-DGCLKSJQSA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)nn1 ZINC000720567334 712852466 /nfs/dbraw/zinc/85/24/66/712852466.db2.gz OSFCAJZPSDARHF-DGCLKSJQSA-N 2 1 248.374 1.653 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(C)nn1 ZINC000720581994 712854120 /nfs/dbraw/zinc/85/41/20/712854120.db2.gz IQRONOCCVUBYCU-GWCFXTLKSA-N 2 1 234.347 1.405 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(C)nn1 ZINC000720581994 712854122 /nfs/dbraw/zinc/85/41/22/712854122.db2.gz IQRONOCCVUBYCU-GWCFXTLKSA-N 2 1 234.347 1.405 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720870796 712871680 /nfs/dbraw/zinc/87/16/80/712871680.db2.gz LPTZYMWRLUTZQS-XJFOESAGSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720870795 712871915 /nfs/dbraw/zinc/87/19/15/712871915.db2.gz LPTZYMWRLUTZQS-XDQVBPFNSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720873537 712873505 /nfs/dbraw/zinc/87/35/05/712873505.db2.gz QNLUBGZUGDVYCV-XUXIUFHCSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cccc(N)c1 ZINC000720890902 712874220 /nfs/dbraw/zinc/87/42/20/712874220.db2.gz OREBCOOLJNCQKZ-HUUCEWRRSA-N 2 1 245.370 1.937 20 0 BDADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000720890497 712875211 /nfs/dbraw/zinc/87/52/11/712875211.db2.gz MBRLOUQWEOILJQ-MELADBBJSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCCC[NH3+] ZINC000720890431 712875233 /nfs/dbraw/zinc/87/52/33/712875233.db2.gz BKLZIJQXQSUMHU-ZIAGYGMSSA-N 2 1 239.407 1.674 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720893510 712875726 /nfs/dbraw/zinc/87/57/26/712875726.db2.gz KWTKOEYHYGOFJZ-RQJABVFESA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000720893510 712875728 /nfs/dbraw/zinc/87/57/28/712875728.db2.gz KWTKOEYHYGOFJZ-RQJABVFESA-N 2 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000720893510 712875730 /nfs/dbraw/zinc/87/57/30/712875730.db2.gz KWTKOEYHYGOFJZ-RQJABVFESA-N 2 1 237.391 1.010 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000705340080 957136264 /nfs/dbraw/zinc/13/62/64/957136264.db2.gz AZDDQKBFJRVUHZ-ZDUSSCGKSA-N 2 1 219.332 1.703 20 0 BDADMP CC[NH+](CC)C1CCN(c2ccc(N)c[nH+]2)CC1 ZINC000224478522 722000644 /nfs/dbraw/zinc/00/06/44/722000644.db2.gz LPZUGQDHRQOAJE-UHFFFAOYSA-N 2 1 248.374 1.974 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cccnc2)C[NH2+]1 ZINC000398968885 958463032 /nfs/dbraw/zinc/46/30/32/958463032.db2.gz UHBLSWWGQSNXTD-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP CCCCOCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399002968 958481527 /nfs/dbraw/zinc/48/15/27/958481527.db2.gz UNILCMIYXCPKOX-QWHCGFSZSA-N 2 1 228.380 1.923 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCCCO)C1 ZINC000308850325 959526917 /nfs/dbraw/zinc/52/69/17/959526917.db2.gz MOIMCJLHCSKMAM-GFCCVEGCSA-N 2 1 214.353 1.210 20 0 BDADMP C(C[N@H+]1CCC[NH2+]CC1)C1CCOCC1 ZINC000308971093 959553680 /nfs/dbraw/zinc/55/36/80/959553680.db2.gz PLQDBCQYVCVICQ-UHFFFAOYSA-N 2 1 212.337 1.098 20 0 BDADMP CC[C@@]1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000393753667 959898623 /nfs/dbraw/zinc/89/86/23/959898623.db2.gz UVKDXRGBLSUQHL-QWHCGFSZSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000689794496 960368645 /nfs/dbraw/zinc/36/86/45/960368645.db2.gz OICNBKSSDJRGNQ-OCCSQVGLSA-N 2 1 238.375 1.653 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCOCC1 ZINC000710454340 962383729 /nfs/dbraw/zinc/38/37/29/962383729.db2.gz LTUJFPWQXNYCQW-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001168128262 963804765 /nfs/dbraw/zinc/80/47/65/963804765.db2.gz PIKKKCQBUKWEOF-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2CN)CC1 ZINC000715196647 965821216 /nfs/dbraw/zinc/82/12/16/965821216.db2.gz XNOZXMAWIGWOFB-BPCQOVAHSA-N 2 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC000715196647 965821222 /nfs/dbraw/zinc/82/12/22/965821222.db2.gz XNOZXMAWIGWOFB-BPCQOVAHSA-N 3 1 225.380 1.282 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC000715196647 965821226 /nfs/dbraw/zinc/82/12/26/965821226.db2.gz XNOZXMAWIGWOFB-BPCQOVAHSA-N 3 1 225.380 1.282 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000699491950 965916907 /nfs/dbraw/zinc/91/69/07/965916907.db2.gz HNRLJIILCPVVKQ-BXUZGUMPSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000699529047 965943846 /nfs/dbraw/zinc/94/38/46/965943846.db2.gz ABGFJNWIVJOOBN-RNJOBUHISA-N 2 1 226.364 1.484 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000699529047 965943851 /nfs/dbraw/zinc/94/38/51/965943851.db2.gz ABGFJNWIVJOOBN-RNJOBUHISA-N 2 1 226.364 1.484 20 0 BDADMP CN1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000715579043 967189755 /nfs/dbraw/zinc/18/97/55/967189755.db2.gz GVSYUNXWBSAQKG-KBPBESRZSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000691348070 967254343 /nfs/dbraw/zinc/25/43/43/967254343.db2.gz BPBPMUXSKIXZIL-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109948 967359157 /nfs/dbraw/zinc/35/91/57/967359157.db2.gz NNQPVLQQEDJUSF-SNVBAGLBSA-N 2 1 209.293 1.296 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109948 967359166 /nfs/dbraw/zinc/35/91/66/967359166.db2.gz NNQPVLQQEDJUSF-SNVBAGLBSA-N 2 1 209.293 1.296 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001205539386 967655687 /nfs/dbraw/zinc/65/56/87/967655687.db2.gz YDSGHVIJZFFGDR-NWDGAFQWSA-N 2 1 230.327 1.176 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)[nH]n1 ZINC001205545521 967692974 /nfs/dbraw/zinc/69/29/74/967692974.db2.gz IWIWQVDGPAPBNY-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)n[nH]1 ZINC001205545521 967692984 /nfs/dbraw/zinc/69/29/84/967692984.db2.gz IWIWQVDGPAPBNY-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)n[nH]1 ZINC001205545521 967692990 /nfs/dbraw/zinc/69/29/90/967692990.db2.gz IWIWQVDGPAPBNY-GFCCVEGCSA-N 2 1 240.326 1.371 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)sc1C ZINC001205966946 967912042 /nfs/dbraw/zinc/91/20/42/967912042.db2.gz FCNDQIQIYKIVPD-VXGBXAGGSA-N 2 1 240.372 1.259 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)sc1C ZINC001205966946 967912059 /nfs/dbraw/zinc/91/20/59/967912059.db2.gz FCNDQIQIYKIVPD-VXGBXAGGSA-N 2 1 240.372 1.259 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cn[nH]c2)CC1 ZINC001206296411 968207042 /nfs/dbraw/zinc/20/70/42/968207042.db2.gz SPBWZDQVZNCZIJ-GFCCVEGCSA-N 2 1 222.336 1.361 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCCO)CC1 ZINC001206296821 968207581 /nfs/dbraw/zinc/20/75/81/968207581.db2.gz VBMMGUNFNGNXMU-LBPRGKRZSA-N 2 1 214.353 1.210 20 0 BDADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001251819643 968355231 /nfs/dbraw/zinc/35/52/31/968355231.db2.gz XHJYJZCJRPMSTO-JHJVBQTASA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)CCO1 ZINC001207479962 968792148 /nfs/dbraw/zinc/79/21/48/968792148.db2.gz QUQPDRLUTGETFZ-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001207480184 968799040 /nfs/dbraw/zinc/79/90/40/968799040.db2.gz WIGKOYGFIDOJRI-LBPRGKRZSA-N 2 1 214.328 1.762 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC3(C)COC3)C[C@@H]2C1 ZINC001207800392 968888435 /nfs/dbraw/zinc/88/84/35/968888435.db2.gz QDLHEMPTTCKWOU-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC3(C)COC3)C[C@@H]2C1 ZINC001207800392 968888444 /nfs/dbraw/zinc/88/84/44/968888444.db2.gz QDLHEMPTTCKWOU-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](CC3(C)COC3)C[C@@H]2C1 ZINC001207800392 968888448 /nfs/dbraw/zinc/88/84/48/968888448.db2.gz QDLHEMPTTCKWOU-BETUJISGSA-N 2 1 238.375 1.297 20 0 BDADMP CC(=O)[C@@H]1CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208115773 969006961 /nfs/dbraw/zinc/00/69/61/969006961.db2.gz NPDKDBNYAJXGAG-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001253188153 969106162 /nfs/dbraw/zinc/10/61/62/969106162.db2.gz QXWKTUNCVSGTGH-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP CO[C@H]1CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185044 969117298 /nfs/dbraw/zinc/11/72/98/969117298.db2.gz URXRYFQATQIZPT-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208607205 969164017 /nfs/dbraw/zinc/16/40/17/969164017.db2.gz JQJOJNOHQIIMSU-UTUOFQBUSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208607205 969164024 /nfs/dbraw/zinc/16/40/24/969164024.db2.gz JQJOJNOHQIIMSU-UTUOFQBUSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@H](F)C[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208607205 969164042 /nfs/dbraw/zinc/16/40/42/969164042.db2.gz JQJOJNOHQIIMSU-UTUOFQBUSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[C@H](F)C[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208607205 969164049 /nfs/dbraw/zinc/16/40/49/969164049.db2.gz JQJOJNOHQIIMSU-UTUOFQBUSA-N 2 1 214.328 1.761 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208614170 969169251 /nfs/dbraw/zinc/16/92/51/969169251.db2.gz LBKGYQTZPHMASS-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC001208614170 969169256 /nfs/dbraw/zinc/16/92/56/969169256.db2.gz LBKGYQTZPHMASS-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001208614170 969169258 /nfs/dbraw/zinc/16/92/58/969169258.db2.gz LBKGYQTZPHMASS-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001208614170 969169262 /nfs/dbraw/zinc/16/92/62/969169262.db2.gz LBKGYQTZPHMASS-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP COCC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090690 969407046 /nfs/dbraw/zinc/40/70/46/969407046.db2.gz KVAFAIUCTCUUTB-CNDDSTCGSA-N 2 1 226.364 1.626 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCOC1)C2 ZINC001169092266 969414362 /nfs/dbraw/zinc/41/43/62/969414362.db2.gz AXVDXSJFWAVAJL-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC001254183715 969535904 /nfs/dbraw/zinc/53/59/04/969535904.db2.gz DMAREIZCVVDYHT-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CC1 ZINC001254498417 969662581 /nfs/dbraw/zinc/66/25/81/969662581.db2.gz ZRWJFYATCSZFOX-MCIONIFRSA-N 2 1 240.391 1.754 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254504072 969672862 /nfs/dbraw/zinc/67/28/62/969672862.db2.gz SFTAFHWASRVAHI-SRVKXCTJSA-N 2 1 240.347 1.012 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515760 969685515 /nfs/dbraw/zinc/68/55/15/969685515.db2.gz CHXAKVCOOZCNDG-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254515760 969685526 /nfs/dbraw/zinc/68/55/26/969685526.db2.gz CHXAKVCOOZCNDG-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[C@@H](CO)[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515760 969685531 /nfs/dbraw/zinc/68/55/31/969685531.db2.gz CHXAKVCOOZCNDG-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+](CC1CCOCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254516183 969689786 /nfs/dbraw/zinc/68/97/86/969689786.db2.gz KCYLRTGNYQUCHG-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC1CCOCC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254516183 969689788 /nfs/dbraw/zinc/68/97/88/969689788.db2.gz KCYLRTGNYQUCHG-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC1CCOCC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516183 969689790 /nfs/dbraw/zinc/68/97/90/969689790.db2.gz KCYLRTGNYQUCHG-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CC[C@@H]1O ZINC001254517718 969695107 /nfs/dbraw/zinc/69/51/07/969695107.db2.gz YJYQCPFQMQVTHB-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CC[C@@H]1O ZINC001254517718 969695119 /nfs/dbraw/zinc/69/51/19/969695119.db2.gz YJYQCPFQMQVTHB-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CC[C@@H]1O ZINC001254517718 969695128 /nfs/dbraw/zinc/69/51/28/969695128.db2.gz YJYQCPFQMQVTHB-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254518558 969695243 /nfs/dbraw/zinc/69/52/43/969695243.db2.gz BZUOPDJAGVRUIT-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254518558 969695252 /nfs/dbraw/zinc/69/52/52/969695252.db2.gz BZUOPDJAGVRUIT-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254518558 969695262 /nfs/dbraw/zinc/69/52/62/969695262.db2.gz BZUOPDJAGVRUIT-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@H+]1CCCN([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254517869 969698409 /nfs/dbraw/zinc/69/84/09/969698409.db2.gz ZHQOIXGWRFVYEZ-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254517869 969698421 /nfs/dbraw/zinc/69/84/21/969698421.db2.gz ZHQOIXGWRFVYEZ-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254517869 969698431 /nfs/dbraw/zinc/69/84/31/969698431.db2.gz ZHQOIXGWRFVYEZ-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCOC(C)(C)C2)CC1 ZINC001254522150 969713765 /nfs/dbraw/zinc/71/37/65/969713765.db2.gz CYJMXVCKKICLHH-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCOC(C)(C)C2)CC1 ZINC001254522150 969713771 /nfs/dbraw/zinc/71/37/71/969713771.db2.gz CYJMXVCKKICLHH-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCOC(C)(C)C2)CC1 ZINC001254522150 969713776 /nfs/dbraw/zinc/71/37/76/969713776.db2.gz CYJMXVCKKICLHH-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254525837 969715834 /nfs/dbraw/zinc/71/58/34/969715834.db2.gz NFWCCIDMRWPJJI-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254525837 969715856 /nfs/dbraw/zinc/71/58/56/969715856.db2.gz NFWCCIDMRWPJJI-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1COCC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254525837 969715869 /nfs/dbraw/zinc/71/58/69/969715869.db2.gz NFWCCIDMRWPJJI-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)[C@H]1COCC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254525837 969715892 /nfs/dbraw/zinc/71/58/92/969715892.db2.gz NFWCCIDMRWPJJI-UONOGXRCSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCCC23COC3)CC1 ZINC001254524250 969713849 /nfs/dbraw/zinc/71/38/49/969713849.db2.gz VQIUBUHSKDVGOX-GFCCVEGCSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC23COC3)CC1 ZINC001254524250 969713852 /nfs/dbraw/zinc/71/38/52/969713852.db2.gz VQIUBUHSKDVGOX-GFCCVEGCSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC23COC3)CC1 ZINC001254524250 969713854 /nfs/dbraw/zinc/71/38/54/969713854.db2.gz VQIUBUHSKDVGOX-GFCCVEGCSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC23COC3)CC1 ZINC001254524250 969713858 /nfs/dbraw/zinc/71/38/58/969713858.db2.gz VQIUBUHSKDVGOX-GFCCVEGCSA-N 2 1 224.348 1.336 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)[C@H](C)C1 ZINC001254533029 969730981 /nfs/dbraw/zinc/73/09/81/969730981.db2.gz ISCWCRPFFYEJNL-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)[C@H](C)C1 ZINC001254533029 969730987 /nfs/dbraw/zinc/73/09/87/969730987.db2.gz ISCWCRPFFYEJNL-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)[C@H](C)C1 ZINC001254533029 969730995 /nfs/dbraw/zinc/73/09/95/969730995.db2.gz ISCWCRPFFYEJNL-MGPQQGTHSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@@H+]([C@@H]1CCCOC1)[C@H]1CCC[NH+](C)CC1 ZINC001254533636 969731850 /nfs/dbraw/zinc/73/18/50/969731850.db2.gz NZTGRQCNSBOHIJ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]([C@@H]1CCCOC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254533636 969731853 /nfs/dbraw/zinc/73/18/53/969731853.db2.gz NZTGRQCNSBOHIJ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]([C@@H]1CCCOC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254533636 969731864 /nfs/dbraw/zinc/73/18/64/969731864.db2.gz NZTGRQCNSBOHIJ-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCSC2)CC1 ZINC001255289984 970046425 /nfs/dbraw/zinc/04/64/25/970046425.db2.gz UUEJMEVUSVAZEB-GFCCVEGCSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001255645587 970421247 /nfs/dbraw/zinc/42/12/47/970421247.db2.gz GIIJSTGAXRVCRP-GJMOJQLCSA-N 2 1 210.243 1.797 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CC[N@@H+](C)C1 ZINC001255944682 970577998 /nfs/dbraw/zinc/57/79/98/970577998.db2.gz XSQKDFYJYBDXBZ-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001255944682 970578008 /nfs/dbraw/zinc/57/80/08/970578008.db2.gz XSQKDFYJYBDXBZ-KGLIPLIRSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001255944682 970578015 /nfs/dbraw/zinc/57/80/15/970578015.db2.gz XSQKDFYJYBDXBZ-KGLIPLIRSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)NCC1C[NH+](C)C1 ZINC001255949604 970581711 /nfs/dbraw/zinc/58/17/11/970581711.db2.gz ZFKFDOLJODAVKP-GFCCVEGCSA-N 2 1 227.396 1.258 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC)CCC(N)=O ZINC001255961110 970602375 /nfs/dbraw/zinc/60/23/75/970602375.db2.gz KQBZINLEVMFDDS-GFCCVEGCSA-N 2 1 243.395 1.304 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC001255962901 970604177 /nfs/dbraw/zinc/60/41/77/970604177.db2.gz BWAYYGFXNKKVIK-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP COc1cccc(C[C@@H](C)[NH2+]C(C)(C)C[NH3+])c1 ZINC001256145142 970669604 /nfs/dbraw/zinc/66/96/04/970669604.db2.gz XLOCZQCXCPJSET-LLVKDONJSA-N 2 1 236.359 1.953 20 0 BDADMP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C[C@]1(C)O ZINC001256202912 970704819 /nfs/dbraw/zinc/70/48/19/970704819.db2.gz NMRFOWMEBVMCAJ-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C[C@]1(C)O ZINC001256202912 970704830 /nfs/dbraw/zinc/70/48/30/970704830.db2.gz NMRFOWMEBVMCAJ-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CCCO[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001256207974 970715189 /nfs/dbraw/zinc/71/51/89/970715189.db2.gz STNQPHQURVUHDV-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CCCO[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256207974 970715198 /nfs/dbraw/zinc/71/51/98/970715198.db2.gz STNQPHQURVUHDV-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP CCCO[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256207974 970715202 /nfs/dbraw/zinc/71/52/02/970715202.db2.gz STNQPHQURVUHDV-ZDUSSCGKSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]CC2(O)CCC2)C1(C)C ZINC001335520782 977115998 /nfs/dbraw/zinc/11/59/98/977115998.db2.gz VMDVKARDINQISE-GHMZBOCLSA-N 2 1 226.364 1.220 20 0 BDADMP COC1(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)CCC1 ZINC001336754322 977921276 /nfs/dbraw/zinc/92/12/76/977921276.db2.gz IDOCFIQXHOBKCS-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)CCC1 ZINC001336754322 977921299 /nfs/dbraw/zinc/92/12/99/977921299.db2.gz IDOCFIQXHOBKCS-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC001336754322 977921310 /nfs/dbraw/zinc/92/13/10/977921310.db2.gz IDOCFIQXHOBKCS-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC001336754322 977921329 /nfs/dbraw/zinc/92/13/29/977921329.db2.gz IDOCFIQXHOBKCS-STQMWFEESA-N 2 1 240.391 1.828 20 0 BDADMP CSC[C@H](O)C[NH2+][C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001336838390 977997717 /nfs/dbraw/zinc/99/77/17/977997717.db2.gz CSNWBLCIGWGFBL-VWYCJHECSA-N 2 1 246.420 1.029 20 0 BDADMP CCO[C@H](C[NH2+]CC1(OC)CCC1)C[NH+](C)C ZINC001336854975 978006134 /nfs/dbraw/zinc/00/61/34/978006134.db2.gz SSEYGBARVNWYJJ-GFCCVEGCSA-N 2 1 244.379 1.112 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](OCC[NH+](C)C)C1 ZINC001206277553 978128595 /nfs/dbraw/zinc/12/85/95/978128595.db2.gz BCROTPDZVSKGPY-GFCCVEGCSA-N 2 1 214.353 1.437 20 0 BDADMP CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC[NH3+] ZINC001235713009 979131189 /nfs/dbraw/zinc/13/11/89/979131189.db2.gz VNCDPZVBDKUEDT-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP CC[C@@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC001235769248 979144446 /nfs/dbraw/zinc/14/44/46/979144446.db2.gz PGBFYUFBTWPGEZ-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235891226 979183845 /nfs/dbraw/zinc/18/38/45/979183845.db2.gz DJUYLAJKQIFKCX-JHJVBQTASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H]([NH3+])CN1CC[C@H]1CCC[NH2+]C1 ZINC001235891226 979183850 /nfs/dbraw/zinc/18/38/50/979183850.db2.gz DJUYLAJKQIFKCX-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H](N)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235891226 979183854 /nfs/dbraw/zinc/18/38/54/979183854.db2.gz DJUYLAJKQIFKCX-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CC[C@@H](N)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235891226 979183858 /nfs/dbraw/zinc/18/38/58/979183858.db2.gz DJUYLAJKQIFKCX-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP CC[N@H+](CCCCCC[NH3+])CC[NH2+]C ZINC001236144842 979411644 /nfs/dbraw/zinc/41/16/44/979411644.db2.gz UPPMNOARVIDBNB-UHFFFAOYSA-N 3 1 201.358 1.047 20 0 BDADMP CC[N@@H+](CCCCCC[NH3+])CC[NH2+]C ZINC001236144842 979411658 /nfs/dbraw/zinc/41/16/58/979411658.db2.gz UPPMNOARVIDBNB-UHFFFAOYSA-N 3 1 201.358 1.047 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@]1(C)CCCNC1 ZINC001236200735 979445429 /nfs/dbraw/zinc/44/54/29/979445429.db2.gz JHQFVJPMEXZPDO-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@]1(C)CCCNC1 ZINC001236200735 979445432 /nfs/dbraw/zinc/44/54/32/979445432.db2.gz JHQFVJPMEXZPDO-KBPBESRZSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](C1CCOCC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000716444050 979659249 /nfs/dbraw/zinc/65/92/49/979659249.db2.gz TULYSDCXXGUVLI-WCQYABFASA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001343714233 980216662 /nfs/dbraw/zinc/21/66/62/980216662.db2.gz LXXPKCSXDQMBNA-TUAOUCFPSA-N 2 1 241.379 1.101 20 0 BDADMP C[C@@]1(CO)CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345159169 980570839 /nfs/dbraw/zinc/57/08/39/980570839.db2.gz CRRPWARGEOOJAP-UONOGXRCSA-N 2 1 240.391 1.471 20 0 BDADMP CC/C=C\CC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662803 981745089 /nfs/dbraw/zinc/74/50/89/981745089.db2.gz DTMJYEUDXPJFNK-DHCBQETCSA-N 2 1 226.364 1.518 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CCC[NH2+]C1)c1ccsc1 ZINC001573571119 984037463 /nfs/dbraw/zinc/03/74/63/984037463.db2.gz FHGWQBMZCNAUHB-PWSUYJOCSA-N 2 1 240.372 1.513 20 0 BDADMP CNC(=O)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000379965984 984064897 /nfs/dbraw/zinc/06/48/97/984064897.db2.gz LSCYYYLZABMHNR-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC001331418826 974712066 /nfs/dbraw/zinc/71/20/66/974712066.db2.gz LELBFFIEWSYEIA-GRYCIOLGSA-N 3 1 213.369 1.105 20 0 BDADMP C[NH2+][C@H](C)CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001331835595 974830825 /nfs/dbraw/zinc/83/08/25/974830825.db2.gz RKVOUMWKYRZVJJ-GRYCIOLGSA-N 2 1 225.380 1.199 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2COC(C)(C)C2)C[C@H]1C[NH3+] ZINC001246544319 972615142 /nfs/dbraw/zinc/61/51/42/972615142.db2.gz XRYRBHMYYFJMRS-HBNTYKKESA-N 2 1 212.337 1.081 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@H](C)CC[C@@H]2CN)CC1 ZINC001246561384 972793395 /nfs/dbraw/zinc/79/33/95/972793395.db2.gz WWYHEWPTJCMDFQ-BLYZHGLHSA-N 2 1 239.407 1.576 20 0 BDADMP CCCCC[C@H](CCC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246587827 972977965 /nfs/dbraw/zinc/97/79/65/972977965.db2.gz VOZCRQFYGMHNEC-MELADBBJSA-N 2 1 242.407 1.987 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OC)c(O)c1 ZINC001328677360 973259957 /nfs/dbraw/zinc/25/99/57/973259957.db2.gz LIHAJBVZCVXKKM-SNVBAGLBSA-N 2 1 238.331 1.488 20 0 BDADMP C[N@@H+]([C@H]1CCOC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574159 970865475 /nfs/dbraw/zinc/86/54/75/970865475.db2.gz UZORNGPDDZTNMF-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1O ZINC001256624509 970890615 /nfs/dbraw/zinc/89/06/15/970890615.db2.gz YNYABJPYUYOPNU-YIPFDTCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1O ZINC001256624509 970890617 /nfs/dbraw/zinc/89/06/17/970890617.db2.gz YNYABJPYUYOPNU-YIPFDTCYSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1O ZINC001256624509 970890622 /nfs/dbraw/zinc/89/06/22/970890622.db2.gz YNYABJPYUYOPNU-YIPFDTCYSA-N 2 1 238.375 1.314 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCC1(F)F ZINC000403280771 970902433 /nfs/dbraw/zinc/90/24/33/970902433.db2.gz NWCCWJPDTIPMFP-QWRGUYRKSA-N 2 1 248.317 1.471 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCC1(F)F ZINC000403280771 970902442 /nfs/dbraw/zinc/90/24/42/970902442.db2.gz NWCCWJPDTIPMFP-QWRGUYRKSA-N 2 1 248.317 1.471 20 0 BDADMP C[C@@H]1CC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256692296 970924132 /nfs/dbraw/zinc/92/41/32/970924132.db2.gz XJBRQFFNNVCZDO-IYXRBSQSSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCOC1 ZINC000352187839 970928912 /nfs/dbraw/zinc/92/89/12/970928912.db2.gz VFDITULVRADFCX-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000352187839 970928920 /nfs/dbraw/zinc/92/89/20/970928920.db2.gz VFDITULVRADFCX-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+]C(C)(C)C[NH3+] ZINC001256719453 970937394 /nfs/dbraw/zinc/93/73/94/970937394.db2.gz PYCKHVUOMBMCSB-JTQLQIEISA-N 2 1 207.321 1.340 20 0 BDADMP C[NH+]1CCC(C[N@@H+](CCO)CC(C)(C)C)CC1 ZINC000691536904 970992849 /nfs/dbraw/zinc/99/28/49/970992849.db2.gz SUIMEIHITCOFGT-UHFFFAOYSA-N 2 1 242.407 1.669 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503116 971001957 /nfs/dbraw/zinc/00/19/57/971001957.db2.gz COHBSQHVMRFINS-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP C([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1COC1 ZINC001256894442 971010120 /nfs/dbraw/zinc/01/01/20/971010120.db2.gz JVCJUGLMECGYLH-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP C([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1COC1 ZINC001256894442 971010134 /nfs/dbraw/zinc/01/01/34/971010134.db2.gz JVCJUGLMECGYLH-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@@H]1C[C@H]1N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900972 971011605 /nfs/dbraw/zinc/01/16/05/971011605.db2.gz DGSLOYKVYJRTOM-CYZMBNFOSA-N 2 1 223.364 1.083 20 0 BDADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC001256894454 971015619 /nfs/dbraw/zinc/01/56/19/971015619.db2.gz KHTXMNVXOIABSJ-CQSZACIVSA-N 2 1 248.374 1.921 20 0 BDADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC001256894453 971016246 /nfs/dbraw/zinc/01/62/46/971016246.db2.gz KHTXMNVXOIABSJ-AWEZNQCLSA-N 2 1 248.374 1.921 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(COC)o1 ZINC001329598011 973842836 /nfs/dbraw/zinc/84/28/36/973842836.db2.gz ZOSXHOBEXSHSOM-SNVBAGLBSA-N 2 1 226.320 1.371 20 0 BDADMP C[N@H+]1CCCC[C@H]1CO[C@H]1CCC[NH+](C)CC1 ZINC001224703170 973871939 /nfs/dbraw/zinc/87/19/39/973871939.db2.gz QUKZZFPQOUQZTK-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCCC[C@H]1CO[C@H]1CCC[N@H+](C)CC1 ZINC001224703170 973871944 /nfs/dbraw/zinc/87/19/44/973871944.db2.gz QUKZZFPQOUQZTK-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCCC[C@H]1CO[C@H]1CCC[N@@H+](C)CC1 ZINC001224703170 973871946 /nfs/dbraw/zinc/87/19/46/973871946.db2.gz QUKZZFPQOUQZTK-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)N1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001257209913 971122748 /nfs/dbraw/zinc/12/27/48/971122748.db2.gz CLMAZIQKORJGMG-UHFFFAOYSA-N 2 1 245.436 1.141 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCC3(COC3)C2)CC1 ZINC001257214307 971126003 /nfs/dbraw/zinc/12/60/03/971126003.db2.gz AVHBOGZRGSMIPX-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCC3(COC3)C2)CC1 ZINC001257214307 971126004 /nfs/dbraw/zinc/12/60/04/971126004.db2.gz AVHBOGZRGSMIPX-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001257213401 971127988 /nfs/dbraw/zinc/12/79/88/971127988.db2.gz MWDFHQLKSKJWTJ-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCCO[C@H](C)C2)CC1 ZINC001257213401 971127997 /nfs/dbraw/zinc/12/79/97/971127997.db2.gz MWDFHQLKSKJWTJ-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP COC(C)(C[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC001257208508 971129098 /nfs/dbraw/zinc/12/90/98/971129098.db2.gz KFOMIGKQVPSGFQ-UHFFFAOYSA-N 2 1 244.379 1.458 20 0 BDADMP CC(C)N1CCC([N@H+]2CCCC[C@H](O)C2)CC1 ZINC001257215066 971131794 /nfs/dbraw/zinc/13/17/94/971131794.db2.gz RSNKYIGUAQWXQJ-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001257215066 971131802 /nfs/dbraw/zinc/13/18/02/971131802.db2.gz RSNKYIGUAQWXQJ-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CCCC[C@H](O)C2)CC1 ZINC001257215066 971131814 /nfs/dbraw/zinc/13/18/14/971131814.db2.gz RSNKYIGUAQWXQJ-AWEZNQCLSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405424663 971256686 /nfs/dbraw/zinc/25/66/86/971256686.db2.gz QOIUYZLAFRGPRN-NWDGAFQWSA-N 2 1 225.380 1.186 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)C12CCC2 ZINC000405532299 971263388 /nfs/dbraw/zinc/26/33/88/971263388.db2.gz YNCXRCPTJQHPBG-HZSPNIEDSA-N 2 1 246.354 1.580 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000405751454 971304136 /nfs/dbraw/zinc/30/41/36/971304136.db2.gz LQCFHSFMGJXBHZ-JFGNBEQYSA-N 2 1 223.320 1.205 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405870982 971315274 /nfs/dbraw/zinc/31/52/74/971315274.db2.gz HVLIWFGCQSKVLA-NSHDSACASA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+](CCc2cccs2)C1 ZINC000405889845 971319292 /nfs/dbraw/zinc/31/92/92/971319292.db2.gz NXSTXASZQLISKH-LLVKDONJSA-N 2 1 210.346 1.714 20 0 BDADMP C[C@@]1([NH3+])CC[N@@H+](CCc2cccs2)C1 ZINC000405889845 971319298 /nfs/dbraw/zinc/31/92/98/971319298.db2.gz NXSTXASZQLISKH-LLVKDONJSA-N 2 1 210.346 1.714 20 0 BDADMP Cc1ccc(-c2nnc([C@@H]([NH3+])CCC[NH3+])o2)cc1 ZINC001217695803 971335409 /nfs/dbraw/zinc/33/54/09/971335409.db2.gz KSFIGJBBXCTXIA-NSHDSACASA-N 2 1 246.314 1.784 20 0 BDADMP C[NH+](C)CCCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001224992678 974124058 /nfs/dbraw/zinc/12/40/58/974124058.db2.gz RWGOLXDHUHWJER-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP CCOC(=[NH2+])CCCCO[C@@H]1CCC[NH2+]C1 ZINC001217860453 971451792 /nfs/dbraw/zinc/45/17/92/971451792.db2.gz MSFYBGBNOZHQSN-LLVKDONJSA-N 2 1 228.336 1.939 20 0 BDADMP Cc1ccc(N2CCC[C@@H](OCCC[NH3+])C2)[nH+]c1 ZINC001217914033 971516497 /nfs/dbraw/zinc/51/64/97/971516497.db2.gz WHHNAIQYGRDTRJ-CYBMUJFWSA-N 2 1 249.358 1.724 20 0 BDADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@](C)(O)C2)CC1 ZINC001258013444 971555178 /nfs/dbraw/zinc/55/51/78/971555178.db2.gz RBYBDFQHJIUQPU-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)C[NH+]1CCC([NH2+]CC2(F)COC2)CC1 ZINC001258003056 971555217 /nfs/dbraw/zinc/55/52/17/971555217.db2.gz WISWZELSGJHSKQ-UHFFFAOYSA-N 2 1 244.354 1.435 20 0 BDADMP CC1(C)[C@@H]2C[C@@H](n3c[nH+]cc3CC[NH3+])C[C@@H]21 ZINC001170713936 971623164 /nfs/dbraw/zinc/62/31/64/971623164.db2.gz TXVGTFSMKYRWLS-CNDDSTCGSA-N 2 1 219.332 1.991 20 0 BDADMP FC1(F)C[NH2+]C[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218233967 971643255 /nfs/dbraw/zinc/64/32/55/971643255.db2.gz BJXOIWOWDLAZKN-LLVKDONJSA-N 2 1 240.253 1.276 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCO[C@@H](C[NH3+])C3)C[C@@H]21 ZINC001170719711 971647382 /nfs/dbraw/zinc/64/73/82/971647382.db2.gz GKEWTLHCMNZVPU-FIQHERPVSA-N 2 1 224.348 1.081 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCO[C@@H](C[NH3+])C3)C[C@@H]21 ZINC001170719711 971647390 /nfs/dbraw/zinc/64/73/90/971647390.db2.gz GKEWTLHCMNZVPU-FIQHERPVSA-N 2 1 224.348 1.081 20 0 BDADMP CCC[N@@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172248952 974513502 /nfs/dbraw/zinc/51/35/02/974513502.db2.gz DHDNEMPNPHHJEA-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172287801 974551678 /nfs/dbraw/zinc/55/16/78/974551678.db2.gz CBBLXWJXTNMISP-TUAOUCFPSA-N 2 1 224.348 1.047 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172287801 974551688 /nfs/dbraw/zinc/55/16/88/974551688.db2.gz CBBLXWJXTNMISP-TUAOUCFPSA-N 2 1 224.348 1.047 20 0 BDADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(F)nc2)CC1 ZINC001222531944 972546456 /nfs/dbraw/zinc/54/64/56/972546456.db2.gz GJAPCRXHMPGBFC-UHFFFAOYSA-N 2 1 241.285 1.484 20 0 BDADMP C[N@H+](C[C@H](O)CN1CC2CCC1CC2)C1CC1 ZINC000310450575 971973621 /nfs/dbraw/zinc/97/36/21/971973621.db2.gz VMGYZFLGBKSYSD-UBHUBRDASA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@H](O)CN1CC2CCC1CC2)C1CC1 ZINC000310450575 971973625 /nfs/dbraw/zinc/97/36/25/971973625.db2.gz VMGYZFLGBKSYSD-UBHUBRDASA-N 2 1 238.375 1.316 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CC2CCC1CC2)C1CC1 ZINC000310450575 971973627 /nfs/dbraw/zinc/97/36/27/971973627.db2.gz VMGYZFLGBKSYSD-UBHUBRDASA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CC2CCC1CC2)C1CC1 ZINC000310450575 971973630 /nfs/dbraw/zinc/97/36/30/971973630.db2.gz VMGYZFLGBKSYSD-UBHUBRDASA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+]1CC2CCC1CC2)C1CC1 ZINC000310450575 971973632 /nfs/dbraw/zinc/97/36/32/971973632.db2.gz VMGYZFLGBKSYSD-UBHUBRDASA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+]1CC2CCC1CC2)C1CC1 ZINC000310450575 971973635 /nfs/dbraw/zinc/97/36/35/971973635.db2.gz VMGYZFLGBKSYSD-UBHUBRDASA-N 2 1 238.375 1.316 20 0 BDADMP C[C@@H]([NH3+])CCNc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001170889348 972035595 /nfs/dbraw/zinc/03/55/95/972035595.db2.gz OAPDRXWOJYWOTQ-ZCFIWIBFSA-N 2 1 248.252 1.832 20 0 BDADMP COc1cc2[nH+]ccn2cc1NCC[C@@H](C)[NH3+] ZINC001170891328 972047033 /nfs/dbraw/zinc/04/70/33/972047033.db2.gz WNEXCQDPPPXTGM-SECBINFHSA-N 2 1 234.303 1.492 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C[NH2+]1 ZINC001246078007 972131618 /nfs/dbraw/zinc/13/16/18/972131618.db2.gz AOVORGASSOZPHU-PBYDBYKOSA-N 2 1 222.332 1.203 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CC3CCN(CC3)C2)CCCC1 ZINC001246086020 972139165 /nfs/dbraw/zinc/13/91/65/972139165.db2.gz VCHACHLXJPFANF-CYBMUJFWSA-N 2 1 237.391 1.332 20 0 BDADMP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+][C@H]1CCCCNC1 ZINC001246095438 972149508 /nfs/dbraw/zinc/14/95/08/972149508.db2.gz IQDCYFTTZIHGPY-MCIONIFRSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCSC2)[NH2+]C1 ZINC001246102359 972160567 /nfs/dbraw/zinc/16/05/67/972160567.db2.gz DFTZALFFSIXBJC-WOPDTQHZSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCOC2)[NH2+]C1 ZINC001246106555 972170081 /nfs/dbraw/zinc/17/00/81/972170081.db2.gz DKSNAJXWGQZOTN-GRYCIOLGSA-N 2 1 212.337 1.143 20 0 BDADMP C[NH2+]CCC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246111428 972175337 /nfs/dbraw/zinc/17/53/37/972175337.db2.gz JCLDKFLCKCCMSA-ZDUSSCGKSA-N 3 1 239.407 1.640 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3C[NH2+]CC34CC4)C[C@@H]21 ZINC001246131380 972188775 /nfs/dbraw/zinc/18/87/75/972188775.db2.gz JQQUMNIMCRABDS-YFKTTZPYSA-N 2 1 220.360 1.763 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C23CCC([NH3+])(CC2)CC3)C[NH2+]1 ZINC001246164185 972200865 /nfs/dbraw/zinc/20/08/65/972200865.db2.gz UBHLVQDFVPUIOQ-KBHBFKLGSA-N 3 1 237.391 1.521 20 0 BDADMP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c2ccccc21 ZINC001220331888 972212436 /nfs/dbraw/zinc/21/24/36/972212436.db2.gz DZIUNGHKODLZFD-XDTLVQLUSA-N 2 1 247.342 1.027 20 0 BDADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246198562 972214310 /nfs/dbraw/zinc/21/43/10/972214310.db2.gz GCTGHZXCAVKAFP-WCQYABFASA-N 2 1 249.358 1.710 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246206174 972216850 /nfs/dbraw/zinc/21/68/50/972216850.db2.gz XXFJKOCBXUDCGJ-XQHKEYJVSA-N 3 1 225.380 1.377 20 0 BDADMP C[NH2+]CC[C@H](C)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246218732 972220170 /nfs/dbraw/zinc/22/01/70/972220170.db2.gz CMFQOIQFACYHFI-WDEREUQCSA-N 3 1 249.349 1.209 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000396497718 956889371 /nfs/dbraw/zinc/88/93/71/956889371.db2.gz OZROOOKYRNNQMJ-VXGBXAGGSA-N 2 1 226.364 1.628 20 0 BDADMP COc1cc(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccn1 ZINC001246237509 972243948 /nfs/dbraw/zinc/24/39/48/972243948.db2.gz CBJCPKIYPFKUFP-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP COc1cncc(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246250293 972249758 /nfs/dbraw/zinc/24/97/58/972249758.db2.gz UKVRITBKWRJYKQ-YPMHNXCESA-N 2 1 249.358 1.363 20 0 BDADMP C[NH2+]CC[C@H](C)[NH2+]CC[C@@H]1CCCC[NH2+]1 ZINC001246243363 972249922 /nfs/dbraw/zinc/24/99/22/972249922.db2.gz IAHBIIZGOFBDTO-RYUDHWBXSA-N 3 1 213.369 1.106 20 0 BDADMP C[C@H]1CC(C[N@@H+]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000724510971 957318075 /nfs/dbraw/zinc/31/80/75/957318075.db2.gz ZBBXVTMFBHBTPW-GMXVVIOVSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@H]1CC(C[N@H+]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000724510971 957318083 /nfs/dbraw/zinc/31/80/83/957318083.db2.gz ZBBXVTMFBHBTPW-GMXVVIOVSA-N 2 1 226.364 1.613 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000693025893 957512497 /nfs/dbraw/zinc/51/24/97/957512497.db2.gz GEOMFLJSCXFHQK-OLZOCXBDSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1ccc(C)c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001167270193 957612285 /nfs/dbraw/zinc/61/22/85/957612285.db2.gz NAKHSBKLBQKWTO-NSHDSACASA-N 2 1 205.305 1.814 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cncn2CCF)CC[NH2+]1 ZINC001246444736 972317331 /nfs/dbraw/zinc/31/73/31/972317331.db2.gz BFYKZXOCLGQJEH-QWRGUYRKSA-N 2 1 240.326 1.083 20 0 BDADMP CCc1cc(N[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC000307775670 958203996 /nfs/dbraw/zinc/20/39/96/958203996.db2.gz SOMVMVNEAWUSHF-LBPRGKRZSA-N 2 1 205.305 1.760 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C[NH2+]1 ZINC001246461471 972336012 /nfs/dbraw/zinc/33/60/12/972336012.db2.gz JMBXTSXPNYXUMW-MQYQWHSLSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@]2(C)CCC[N@@H+](C)C2)CC[NH2+]1 ZINC001246461945 972336319 /nfs/dbraw/zinc/33/63/19/972336319.db2.gz QNHICDIDRGYEMA-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCN(C)C2)CC[NH2+]1 ZINC001246461945 972336324 /nfs/dbraw/zinc/33/63/24/972336324.db2.gz QNHICDIDRGYEMA-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP CC1(C)CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000398967272 958465121 /nfs/dbraw/zinc/46/51/21/958465121.db2.gz SBVGDKNSUDKFQO-CYBMUJFWSA-N 2 1 240.391 1.611 20 0 BDADMP CCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486151 972352309 /nfs/dbraw/zinc/35/23/09/972352309.db2.gz DEGOQWADXBZKJX-UONOGXRCSA-N 2 1 241.423 1.886 20 0 BDADMP CSCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399252676 958581019 /nfs/dbraw/zinc/58/10/19/958581019.db2.gz YCTQMCSBDBJQID-UWVGGRQHSA-N 2 1 202.367 1.470 20 0 BDADMP CCCCCC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222079616 972360170 /nfs/dbraw/zinc/36/01/70/972360170.db2.gz CNJBHWPCXMZDIB-UHFFFAOYSA-N 2 1 239.407 1.594 20 0 BDADMP CC(C)(C)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222079912 972361822 /nfs/dbraw/zinc/36/18/22/972361822.db2.gz GMQMQQMLNDXSDP-UHFFFAOYSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC000707700096 958678858 /nfs/dbraw/zinc/67/88/58/958678858.db2.gz RGYICBNVUVDCJR-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC000707700096 958678867 /nfs/dbraw/zinc/67/88/67/958678867.db2.gz RGYICBNVUVDCJR-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC000707700096 958678887 /nfs/dbraw/zinc/67/88/87/958678887.db2.gz RGYICBNVUVDCJR-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[C@H](O)C[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC000707700096 958678892 /nfs/dbraw/zinc/67/88/92/958678892.db2.gz RGYICBNVUVDCJR-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCCOC1 ZINC000693578400 958868428 /nfs/dbraw/zinc/86/84/28/958868428.db2.gz LIGLQLLNRNDLOL-UTUOFQBUSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237721 972419008 /nfs/dbraw/zinc/41/90/08/972419008.db2.gz QWAAYVBNHVNDQM-ZDUSSCGKSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCCN1CCC[C@]12CCC[NH2+]C2 ZINC001222237721 972419018 /nfs/dbraw/zinc/41/90/18/972419018.db2.gz QWAAYVBNHVNDQM-ZDUSSCGKSA-N 2 1 225.380 1.333 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)[nH]1 ZINC000724777811 959443190 /nfs/dbraw/zinc/44/31/90/959443190.db2.gz IBAVOVVSNQBGHP-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP Cc1nc(C[N@H+](C)CC2CC[NH+](C)CC2)c[nH]1 ZINC000724777811 959443201 /nfs/dbraw/zinc/44/32/01/959443201.db2.gz IBAVOVVSNQBGHP-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP Cc1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)c[nH]1 ZINC000724777811 959443211 /nfs/dbraw/zinc/44/32/11/959443211.db2.gz IBAVOVVSNQBGHP-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP Cc1[nH]c(CN(C)CC[NH+](C)C)c(C)[nH+]1 ZINC000724775049 959444246 /nfs/dbraw/zinc/44/42/46/959444246.db2.gz TYBLAUAPFQKMTH-UHFFFAOYSA-N 2 1 210.325 1.020 20 0 BDADMP CCc1nc(NCC(C)(C)[NH3+])cc(C)[nH+]1 ZINC000308934363 959504226 /nfs/dbraw/zinc/50/42/26/959504226.db2.gz PFVYRHBRYNHBEK-UHFFFAOYSA-N 2 1 208.309 1.497 20 0 BDADMP CCSC[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530860 972437139 /nfs/dbraw/zinc/43/71/39/972437139.db2.gz OOWWVOZOEHXRQF-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP CCSC[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246530860 972437142 /nfs/dbraw/zinc/43/71/42/972437142.db2.gz OOWWVOZOEHXRQF-NXEZZACHSA-N 2 1 202.367 1.551 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CCC3)CC2)O1 ZINC001222346374 972440584 /nfs/dbraw/zinc/44/05/84/972440584.db2.gz QXTSGYYMAFCAJZ-LBPRGKRZSA-N 2 1 238.375 1.977 20 0 BDADMP OCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346098 972441062 /nfs/dbraw/zinc/44/10/62/972441062.db2.gz PQCMHBJJSNRBAL-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222346098 972441064 /nfs/dbraw/zinc/44/10/64/972441064.db2.gz PQCMHBJJSNRBAL-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP [NH3+]CCCCCCO[C@H]1C[NH2+]CC1(F)F ZINC001217844723 959647148 /nfs/dbraw/zinc/64/71/48/959647148.db2.gz OZAHOOZJTNSXKG-VIFPVBQESA-N 2 1 222.279 1.129 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCC[C@H]3C2)CC[NH2+]1 ZINC000724815277 959741243 /nfs/dbraw/zinc/74/12/43/959741243.db2.gz YCQOOSVFYYBZFX-YVECIDJPSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCC[C@H]3C2)CC[NH2+]1 ZINC000724815277 959741231 /nfs/dbraw/zinc/74/12/31/959741231.db2.gz YCQOOSVFYYBZFX-YVECIDJPSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccc(O)cc2F)C[C@H]1C[NH3+] ZINC000708824612 959859358 /nfs/dbraw/zinc/85/93/58/959859358.db2.gz CTDZYYCWHFXATQ-GXSJLCMTSA-N 2 1 238.306 1.558 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc(O)cc2F)C[C@H]1C[NH3+] ZINC000708824612 959859363 /nfs/dbraw/zinc/85/93/63/959859363.db2.gz CTDZYYCWHFXATQ-GXSJLCMTSA-N 2 1 238.306 1.558 20 0 BDADMP C[C@@H]1CC[C@H](Oc2ccc(C(=O)C[NH3+])cc2)C[NH2+]1 ZINC001218401042 960061881 /nfs/dbraw/zinc/06/18/81/960061881.db2.gz BODCFCBMQHCQGI-MFKMUULPSA-N 2 1 248.326 1.347 20 0 BDADMP c1cc2c(cn1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207438040 960095418 /nfs/dbraw/zinc/09/54/18/960095418.db2.gz RZJUIVCAXCPYIZ-UHFFFAOYSA-N 2 1 231.343 1.439 20 0 BDADMP C[C@@H]1c2cccn2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207439052 960099302 /nfs/dbraw/zinc/09/93/02/960099302.db2.gz JJBMCHZZEGMHRF-GFCCVEGCSA-N 2 1 233.359 1.864 20 0 BDADMP O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001207439674 960103645 /nfs/dbraw/zinc/10/36/45/960103645.db2.gz ZABFEAVYPKXHAJ-BETUJISGSA-N 2 1 236.359 1.572 20 0 BDADMP CCCCc1nc(NCC[NH2+]C)cc(C)[nH+]1 ZINC001167723430 960227012 /nfs/dbraw/zinc/22/70/12/960227012.db2.gz ULPSGIHTNYUSNF-UHFFFAOYSA-N 2 1 222.336 1.759 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709280096 960468146 /nfs/dbraw/zinc/46/81/46/960468146.db2.gz FAQVOHFPDQFLJW-OCIKQUFWSA-N 2 1 224.348 1.115 20 0 BDADMP CC[C@H](C)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491432 972514751 /nfs/dbraw/zinc/51/47/51/972514751.db2.gz AUHZYXGEFJAERY-AVGNSLFASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)CC[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492188 972515060 /nfs/dbraw/zinc/51/50/60/972515060.db2.gz QCIKLNCQIWNFTR-STQMWFEESA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802523 960590571 /nfs/dbraw/zinc/59/05/71/960590571.db2.gz XTQQMJAVUOVGMH-JQWIXIFHSA-N 2 1 245.326 1.766 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802523 960590583 /nfs/dbraw/zinc/59/05/83/960590583.db2.gz XTQQMJAVUOVGMH-JQWIXIFHSA-N 2 1 245.326 1.766 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC[NH2+]1 ZINC000709448246 960613207 /nfs/dbraw/zinc/61/32/07/960613207.db2.gz LCVDBZASSXOCLA-KKOKHZNYSA-N 2 1 208.349 1.715 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CO)CC2)CC[NH2+]1 ZINC000709467563 960615588 /nfs/dbraw/zinc/61/55/88/960615588.db2.gz UOZFVKAPBBTGBR-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@]1(O)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709473738 960618665 /nfs/dbraw/zinc/61/86/65/960618665.db2.gz GCPIQJQQTLAZIQ-PIGZVRMJSA-N 2 1 238.375 1.506 20 0 BDADMP CCSC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000709481642 960620821 /nfs/dbraw/zinc/62/08/21/960620821.db2.gz HRGFIPQUGJZTIU-MNOVXSKESA-N 2 1 216.394 1.669 20 0 BDADMP CSCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000709482737 960621676 /nfs/dbraw/zinc/62/16/76/960621676.db2.gz MIEGQKFOQJBKHW-GHMZBOCLSA-N 2 1 216.394 1.669 20 0 BDADMP CN1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709486737 960623185 /nfs/dbraw/zinc/62/31/85/960623185.db2.gz GNDGUXYPGXAQHD-PIGZVRMJSA-N 2 1 237.391 1.343 20 0 BDADMP C[N@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709496059 960625296 /nfs/dbraw/zinc/62/52/96/960625296.db2.gz WZGARKBSEVNMSJ-HABKJSAYSA-N 2 1 237.391 1.201 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709496059 960625309 /nfs/dbraw/zinc/62/53/09/960625309.db2.gz WZGARKBSEVNMSJ-HABKJSAYSA-N 3 1 237.391 1.201 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709496059 960625318 /nfs/dbraw/zinc/62/53/18/960625318.db2.gz WZGARKBSEVNMSJ-HABKJSAYSA-N 3 1 237.391 1.201 20 0 BDADMP CC[N@@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140968030 960775395 /nfs/dbraw/zinc/77/53/95/960775395.db2.gz FKPCUZXGBXCLRD-UHFFFAOYSA-N 2 1 247.386 1.890 20 0 BDADMP COC(C)(C)CC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300054063 960894234 /nfs/dbraw/zinc/89/42/34/960894234.db2.gz WCJRKNIZIUQCQU-NXEZZACHSA-N 2 1 200.326 1.081 20 0 BDADMP Cc1cc(NC(=[NH2+])SCC[NH3+])cnc1C ZINC001167915200 961839030 /nfs/dbraw/zinc/83/90/30/961839030.db2.gz RVQLOCXZDIDNGR-UHFFFAOYSA-N 2 1 224.333 1.737 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@H](c3ccccn3)C2)CC[NH2+]C1 ZINC000843115649 961874472 /nfs/dbraw/zinc/87/44/72/961874472.db2.gz MZJNLTBFMPNAGE-ZFWWWQNUSA-N 2 1 245.370 1.871 20 0 BDADMP Cc1nc(N)ccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632180 962122030 /nfs/dbraw/zinc/12/20/30/962122030.db2.gz GVKATBJWARVRKX-GFCCVEGCSA-N 2 1 248.374 1.533 20 0 BDADMP [NH3+]Cc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206640380 962271997 /nfs/dbraw/zinc/27/19/97/962271997.db2.gz JIMCIUQTDQTMNM-OAHLLOKOSA-N 3 1 247.386 1.706 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167953673 962741633 /nfs/dbraw/zinc/74/16/33/962741633.db2.gz VILVWHMMAOZMKT-CXYFJQCHSA-N 2 1 206.333 1.278 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167953673 962741646 /nfs/dbraw/zinc/74/16/46/962741646.db2.gz VILVWHMMAOZMKT-CXYFJQCHSA-N 2 1 206.333 1.278 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167953673 962741661 /nfs/dbraw/zinc/74/16/61/962741661.db2.gz VILVWHMMAOZMKT-CXYFJQCHSA-N 2 1 206.333 1.278 20 0 BDADMP Cc1cc(C)[nH+]c(N2CCOC[C@H]2C[NH+](C)C)c1 ZINC001154961995 962923035 /nfs/dbraw/zinc/92/30/35/962923035.db2.gz QCSNMCKZIAPCGQ-CYBMUJFWSA-N 2 1 249.358 1.465 20 0 BDADMP Nc1nc(N[C@H]2C[NH2+]Cc3ccsc32)cc[nH+]1 ZINC001155565275 963110055 /nfs/dbraw/zinc/11/00/55/963110055.db2.gz MHPCTPXKESJSDC-QMMMGPOBSA-N 2 1 247.327 1.377 20 0 BDADMP CC[C@H](C)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001167998368 963205152 /nfs/dbraw/zinc/20/51/52/963205152.db2.gz IUJDPZQUEZUXGI-NSHDSACASA-N 2 1 234.347 1.702 20 0 BDADMP C[N@@H+]1CCC[C@@H](CCNc2cc(N)[nH+]cn2)C1 ZINC001156389391 963329850 /nfs/dbraw/zinc/32/98/50/963329850.db2.gz PAYNWADCEFRBGI-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2cc(N)[nH+]cn2)C1 ZINC001156389391 963329866 /nfs/dbraw/zinc/32/98/66/963329866.db2.gz PAYNWADCEFRBGI-JTQLQIEISA-N 2 1 235.335 1.203 20 0 BDADMP Cn1ccc2c1cc[nH+]c2-n1ccnc1CC[NH3+] ZINC001156477631 963363995 /nfs/dbraw/zinc/36/39/95/963363995.db2.gz BZKHVNYVMWALAU-UHFFFAOYSA-N 2 1 241.298 1.260 20 0 BDADMP C[C@]1([NH3+])CCN(Cc2[nH+]cc3ccccn32)C1 ZINC001204770440 963398385 /nfs/dbraw/zinc/39/83/85/963398385.db2.gz DWLHSZBJVJKODD-ZDUSSCGKSA-N 2 1 230.315 1.257 20 0 BDADMP CCc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)on1 ZINC001203219106 963451066 /nfs/dbraw/zinc/45/10/66/963451066.db2.gz RTXNPLDWQGEFPC-NEPJUHHUSA-N 2 1 249.358 1.621 20 0 BDADMP CCc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)on1 ZINC001203219106 963451074 /nfs/dbraw/zinc/45/10/74/963451074.db2.gz RTXNPLDWQGEFPC-NEPJUHHUSA-N 2 1 249.358 1.621 20 0 BDADMP CCc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)on1 ZINC001203219106 963451080 /nfs/dbraw/zinc/45/10/80/963451080.db2.gz RTXNPLDWQGEFPC-NEPJUHHUSA-N 2 1 249.358 1.621 20 0 BDADMP CCc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)on1 ZINC001203219106 963451086 /nfs/dbraw/zinc/45/10/86/963451086.db2.gz RTXNPLDWQGEFPC-NEPJUHHUSA-N 2 1 249.358 1.621 20 0 BDADMP CC(C)[N@H+](C)[C@@H]1CCN(c2cccc(N)[nH+]2)C1 ZINC001157009441 963514602 /nfs/dbraw/zinc/51/46/02/963514602.db2.gz IGATZSJPSKWTPB-LLVKDONJSA-N 2 1 234.347 1.583 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN(c2cccc(N)[nH+]2)C1 ZINC001157009441 963514608 /nfs/dbraw/zinc/51/46/08/963514608.db2.gz IGATZSJPSKWTPB-LLVKDONJSA-N 2 1 234.347 1.583 20 0 BDADMP [NH3+]C[C@@]1(F)CCN(c2cc(C3CC3)cc[nH+]2)C1 ZINC001157819746 963736195 /nfs/dbraw/zinc/73/61/95/963736195.db2.gz ZTJSJDPTRFVNLF-ZDUSSCGKSA-N 2 1 235.306 1.836 20 0 BDADMP Nc1cc[nH+]c(N(CC[NH3+])c2cccnc2)c1 ZINC001157999919 963788976 /nfs/dbraw/zinc/78/89/76/963788976.db2.gz FEFQGYWSMMQIBI-UHFFFAOYSA-N 2 1 229.287 1.156 20 0 BDADMP Cc1cc[nH+]c(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001159491054 964111608 /nfs/dbraw/zinc/11/16/08/964111608.db2.gz ZSNRMRJMCXPIHK-MNOVXSKESA-N 2 1 221.304 1.179 20 0 BDADMP CCCc1cc(NCC[C@@H](C)[NH3+])nc(C)[nH+]1 ZINC001159773013 964187798 /nfs/dbraw/zinc/18/77/98/964187798.db2.gz QSOMMAIPVBLFAF-SECBINFHSA-N 2 1 222.336 1.887 20 0 BDADMP Cc1c[nH+]c(NCC[C@@H](C)[NH3+])nc1NCC1CC1 ZINC001159773279 964191224 /nfs/dbraw/zinc/19/12/24/964191224.db2.gz RJXBKNLUXQCKAN-SNVBAGLBSA-N 2 1 249.362 1.756 20 0 BDADMP CN1CCC[N@H+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168314328 964420369 /nfs/dbraw/zinc/42/03/69/964420369.db2.gz DUOMPGMMJHKYDK-UHFFFAOYSA-N 2 1 239.407 1.497 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCOCC23CC3)CC1 ZINC001168328265 964461661 /nfs/dbraw/zinc/46/16/61/964461661.db2.gz BZRQYOPEUDSAMY-UHFFFAOYSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CC[C@]23CCOC3)CC1 ZINC001168331126 964465311 /nfs/dbraw/zinc/46/53/11/964465311.db2.gz ZOPRGMXLARKZNN-JXQTWKCFSA-N 2 1 238.375 1.724 20 0 BDADMP CC(=O)Nc1c(C)cc[nH+]c1NC/C=C/C[NH3+] ZINC001160983232 964470662 /nfs/dbraw/zinc/47/06/62/964470662.db2.gz VFPLDXHZDWJZCB-ONEGZZNKSA-N 2 1 234.303 1.275 20 0 BDADMP CCO[C@H](C[NH2+][C@@H](C)C1CCC1)C[NH+](C)C ZINC000926959254 964529195 /nfs/dbraw/zinc/52/91/95/964529195.db2.gz APFRKTYOXIHLOT-WCQYABFASA-N 2 1 228.380 1.731 20 0 BDADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cn1 ZINC000697920302 964681660 /nfs/dbraw/zinc/68/16/60/964681660.db2.gz NHMCOIAXMBOOAK-LLVKDONJSA-N 2 1 237.347 1.520 20 0 BDADMP CCSC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000157051790 964721646 /nfs/dbraw/zinc/72/16/46/964721646.db2.gz SGXBORQHSHFXBR-SNVBAGLBSA-N 2 1 216.394 1.812 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CSC1 ZINC000697998427 964860005 /nfs/dbraw/zinc/86/00/05/964860005.db2.gz BDDYAPBGSSRDCU-NWDGAFQWSA-N 2 1 226.389 1.566 20 0 BDADMP Nc1cc(Cl)cc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001162391912 964951718 /nfs/dbraw/zinc/95/17/18/964951718.db2.gz ONYRLPXCLQLFON-RKDXNWHRSA-N 2 1 240.738 1.999 20 0 BDADMP [NH3+][C@H]1CCC[C@H](Nc2nc3[nH]ccc3c[nH+]2)C1 ZINC001162394416 964956617 /nfs/dbraw/zinc/95/66/17/964956617.db2.gz ZMQVYRAGOTWEQK-UWVGGRQHSA-N 2 1 231.303 1.591 20 0 BDADMP Nc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC001162402235 964960670 /nfs/dbraw/zinc/96/06/70/964960670.db2.gz PLPNOJYLDSSTDA-BDAKNGLRSA-N 2 1 206.293 1.346 20 0 BDADMP OC[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168373768 964981719 /nfs/dbraw/zinc/98/17/19/964981719.db2.gz UHJDQTNNZWWNOZ-AWEZNQCLSA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+](C)[C@H]1CC[C@H](OC[C@@H]2CCC[N@H+]2C)CC1 ZINC001224817366 964986221 /nfs/dbraw/zinc/98/62/21/964986221.db2.gz NVYMLWIZTHQRLX-IHRRRGAJSA-N 2 1 240.391 1.970 20 0 BDADMP Cc1ccc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]c1 ZINC001162555367 965043117 /nfs/dbraw/zinc/04/31/17/965043117.db2.gz RTSIYOOHMIVORJ-GHMZBOCLSA-N 2 1 205.305 1.800 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CCC[N@@H+](CC)C1 ZINC001224928867 965103432 /nfs/dbraw/zinc/10/34/32/965103432.db2.gz XGWSOWJKLZQNED-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C[N@H+]1C[C@@H]2C[C@H]1CN2C1CC[NH+](CC2CC2)CC1 ZINC001168388013 965115943 /nfs/dbraw/zinc/11/59/43/965115943.db2.gz ZQQJWCWUXZOWPM-GJZGRUSLSA-N 2 1 249.402 1.249 20 0 BDADMP Cc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c(C)c(C)[nH+]1 ZINC001162801119 965186831 /nfs/dbraw/zinc/18/68/31/965186831.db2.gz GQHINUSDNHTPPV-JHJVBQTASA-N 2 1 244.342 1.588 20 0 BDADMP Cc1[nH+]ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1F ZINC001162987946 965220387 /nfs/dbraw/zinc/22/03/87/965220387.db2.gz NOKGEXFTWVVAAQ-WCQYABFASA-N 2 1 235.306 1.648 20 0 BDADMP c1[nH]c2ccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cc2[nH+]1 ZINC001163268871 965324366 /nfs/dbraw/zinc/32/43/66/965324366.db2.gz PPQQCLOIUULCBX-USWWRNFRSA-N 2 1 242.326 1.973 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000714983983 965580809 /nfs/dbraw/zinc/58/08/09/965580809.db2.gz SKZZEBHWHFWMPC-GFCCVEGCSA-N 2 1 235.331 1.361 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205083039 965607994 /nfs/dbraw/zinc/60/79/94/965607994.db2.gz NLIKVWVCXMMKEA-JQWIXIFHSA-N 2 1 235.331 1.407 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205083039 965608000 /nfs/dbraw/zinc/60/80/00/965608000.db2.gz NLIKVWVCXMMKEA-JQWIXIFHSA-N 2 1 235.331 1.407 20 0 BDADMP CCc1cc(N2C[C@@H](C)CC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC001164072778 965730329 /nfs/dbraw/zinc/73/03/29/965730329.db2.gz CKGWNWGPKBVFCR-GXFFZTMASA-N 2 1 248.374 1.911 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](CCCc2cccnc2)CC1 ZINC001205095507 965748222 /nfs/dbraw/zinc/74/82/22/965748222.db2.gz YIQFBVQIRADSJH-CQSZACIVSA-N 2 1 233.359 1.827 20 0 BDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000699211095 965817550 /nfs/dbraw/zinc/81/75/50/965817550.db2.gz POBBDEFGVAFFFF-FUDCBSFHSA-N 2 1 238.375 1.628 20 0 BDADMP CC1(C)C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699209601 965817643 /nfs/dbraw/zinc/81/76/43/965817643.db2.gz IVJIZPQLRLGNOA-YHWZYXNKSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205109606 965829188 /nfs/dbraw/zinc/82/91/88/965829188.db2.gz ITHVDRXWSHEOJP-AWEZNQCLSA-N 3 1 233.359 1.459 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3[nH]cnc32)CC1 ZINC001205109745 965833414 /nfs/dbraw/zinc/83/34/14/965833414.db2.gz KYYVHRUZHPUGTB-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3nc[nH]c32)CC1 ZINC001205109745 965833420 /nfs/dbraw/zinc/83/34/20/965833420.db2.gz KYYVHRUZHPUGTB-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3nc[nH]c32)CC1 ZINC001205109745 965833426 /nfs/dbraw/zinc/83/34/26/965833426.db2.gz KYYVHRUZHPUGTB-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP COc1cncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1C ZINC001205117774 965871867 /nfs/dbraw/zinc/87/18/67/965871867.db2.gz UWAITOUNICRZMP-ZDUSSCGKSA-N 2 1 249.358 1.712 20 0 BDADMP COc1cncc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1C ZINC001205117774 965871868 /nfs/dbraw/zinc/87/18/68/965871868.db2.gz UWAITOUNICRZMP-ZDUSSCGKSA-N 2 1 249.358 1.712 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000699497608 965922323 /nfs/dbraw/zinc/92/23/23/965922323.db2.gz WQSFCZRYPLKNAX-BZPMIXESSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000699532173 965944983 /nfs/dbraw/zinc/94/49/83/965944983.db2.gz KYJRUOVWQXZHEH-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000699533723 965949741 /nfs/dbraw/zinc/94/97/41/965949741.db2.gz PNZPTNMKYYECHX-CHWSQXEVSA-N 2 1 224.348 1.263 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000699533727 965949903 /nfs/dbraw/zinc/94/99/03/965949903.db2.gz PNZPTNMKYYECHX-QWHCGFSZSA-N 2 1 224.348 1.263 20 0 BDADMP COc1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC001165145777 965971816 /nfs/dbraw/zinc/97/18/16/965971816.db2.gz WQCSBZAWTBICAR-PHIMTYICSA-N 2 1 233.315 1.088 20 0 BDADMP C(C1CCCCC1)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235056278 965998861 /nfs/dbraw/zinc/99/88/61/965998861.db2.gz XKGOQCCUNUTHAG-AWEZNQCLSA-N 2 1 237.391 1.204 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000699647300 966024149 /nfs/dbraw/zinc/02/41/49/966024149.db2.gz RZGZPNHEYPQIDV-DMDPSCGWSA-N 2 1 237.347 1.595 20 0 BDADMP C[n+]1cccc(NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001165300907 966039661 /nfs/dbraw/zinc/03/96/61/966039661.db2.gz UMBLBGJQVPTFFZ-CYBMUJFWSA-N 2 1 234.367 1.655 20 0 BDADMP Cc1[nH+]cc2n1CCN(c1cc(N)c(C)c[nH+]1)C2 ZINC001165384127 966076876 /nfs/dbraw/zinc/07/68/76/966076876.db2.gz BATYAFPIKBCNIL-UHFFFAOYSA-N 2 1 243.314 1.497 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC001235787896 966111015 /nfs/dbraw/zinc/11/10/15/966111015.db2.gz AAJDNDBHAOIRCQ-CYBMUJFWSA-N 2 1 225.380 1.286 20 0 BDADMP [NH3+]CCCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001235787896 966111019 /nfs/dbraw/zinc/11/10/19/966111019.db2.gz AAJDNDBHAOIRCQ-CYBMUJFWSA-N 2 1 225.380 1.286 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001235978337 966191779 /nfs/dbraw/zinc/19/17/79/966191779.db2.gz KGHMBXGVGPZUQB-VJTDZRGJSA-N 2 1 218.344 1.622 20 0 BDADMP CC(=O)OC(C)(C)CCC[NH+]1CC(C)(C[NH3+])C1 ZINC001206711684 966249858 /nfs/dbraw/zinc/24/98/58/966249858.db2.gz MXAXHEJEVJSJPY-UHFFFAOYSA-N 2 1 242.363 1.389 20 0 BDADMP CC1(C)C[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC001236169863 966283605 /nfs/dbraw/zinc/28/36/05/966283605.db2.gz POICTPSCWZUSBC-MNOVXSKESA-N 2 1 212.337 1.225 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC001236169863 966283617 /nfs/dbraw/zinc/28/36/17/966283617.db2.gz POICTPSCWZUSBC-MNOVXSKESA-N 2 1 212.337 1.225 20 0 BDADMP CC1(C[NH3+])CN(Cc2[nH+]cc3ccccn32)C1 ZINC001206718202 966404404 /nfs/dbraw/zinc/40/44/04/966404404.db2.gz LVURORVHCNKKRB-UHFFFAOYSA-N 2 1 230.315 1.115 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1C ZINC000300005155 966490985 /nfs/dbraw/zinc/49/09/85/966490985.db2.gz KZCFNPJKNPMZGZ-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)o1 ZINC001203292349 966604800 /nfs/dbraw/zinc/60/48/00/966604800.db2.gz ORFMYNMSVJUCTP-OLZOCXBDSA-N 2 1 234.343 1.972 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC001203292349 966604806 /nfs/dbraw/zinc/60/48/06/966604806.db2.gz ORFMYNMSVJUCTP-OLZOCXBDSA-N 2 1 234.343 1.972 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)o1 ZINC001203292349 966604815 /nfs/dbraw/zinc/60/48/15/966604815.db2.gz ORFMYNMSVJUCTP-OLZOCXBDSA-N 2 1 234.343 1.972 20 0 BDADMP [NH3+]CCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380766 966653374 /nfs/dbraw/zinc/65/33/74/966653374.db2.gz HKRUKVNEITXBOX-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380766 966653378 /nfs/dbraw/zinc/65/33/78/966653378.db2.gz HKRUKVNEITXBOX-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001204089073 966890697 /nfs/dbraw/zinc/89/06/97/966890697.db2.gz KCFIULGDQYITSN-RBSFLKMASA-N 2 1 245.370 1.820 20 0 BDADMP C[N@H+]1CCC2(CN(CC3(C)CCOCC3)C2)C1 ZINC001276448773 966931294 /nfs/dbraw/zinc/93/12/94/966931294.db2.gz QFUOGHIWMUBUDE-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@H](c3ccccn3)C2)CC[NH2+]C1 ZINC000843115635 967103060 /nfs/dbraw/zinc/10/30/60/967103060.db2.gz MZJNLTBFMPNAGE-DZGCQCFKSA-N 2 1 245.370 1.871 20 0 BDADMP c1[nH]nc2cccc(C[N@@H+]3CCC[NH2+]CC3)c12 ZINC001204667974 967126314 /nfs/dbraw/zinc/12/63/14/967126314.db2.gz QRWVFZCCOFDYJU-UHFFFAOYSA-N 2 1 230.315 1.358 20 0 BDADMP c1[nH]nc2cccc(C[N@H+]3CCC[NH2+]CC3)c12 ZINC001204667974 967126325 /nfs/dbraw/zinc/12/63/25/967126325.db2.gz QRWVFZCCOFDYJU-UHFFFAOYSA-N 2 1 230.315 1.358 20 0 BDADMP CCC(=O)C(C)(C)C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204762894 967149790 /nfs/dbraw/zinc/14/97/90/967149790.db2.gz DSZQTWHZXDVMFW-GFCCVEGCSA-N 2 1 212.337 1.415 20 0 BDADMP CCC(=O)C(C)(C)C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204762894 967149800 /nfs/dbraw/zinc/14/98/00/967149800.db2.gz DSZQTWHZXDVMFW-GFCCVEGCSA-N 2 1 212.337 1.415 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001204797468 967175616 /nfs/dbraw/zinc/17/56/16/967175616.db2.gz ZJZGOLQUUBDHMP-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP Nc1[nH]c2ccc(-c3cncc(C[NH3+])c3)cc2[nH+]1 ZINC001239799024 967193356 /nfs/dbraw/zinc/19/33/56/967193356.db2.gz WHYRUXFIAPYKBV-UHFFFAOYSA-N 2 1 239.282 1.666 20 0 BDADMP C[C@H](O)[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000691351643 967261661 /nfs/dbraw/zinc/26/16/61/967261661.db2.gz UFUALMYCABXRBB-AAEUAGOBSA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000693616760 967277316 /nfs/dbraw/zinc/27/73/16/967277316.db2.gz QRIVNVQTHHOPFJ-TUAOUCFPSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@@H]1CCC=CO1 ZINC001205064813 967318178 /nfs/dbraw/zinc/31/81/78/967318178.db2.gz WKHFERMHJZUCCB-SRVKXCTJSA-N 2 1 210.321 1.491 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@@H]1CCC=CO1 ZINC001205064813 967318188 /nfs/dbraw/zinc/31/81/88/967318188.db2.gz WKHFERMHJZUCCB-SRVKXCTJSA-N 2 1 210.321 1.491 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(CCO)cc1 ZINC001205083048 967332368 /nfs/dbraw/zinc/33/23/68/967332368.db2.gz NPRFLTSYTFSDOS-WFASDCNBSA-N 2 1 248.370 1.533 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(CCO)cc1 ZINC001205083048 967332376 /nfs/dbraw/zinc/33/23/76/967332376.db2.gz NPRFLTSYTFSDOS-WFASDCNBSA-N 2 1 248.370 1.533 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(CCO)cc1 ZINC001205083048 967332388 /nfs/dbraw/zinc/33/23/88/967332388.db2.gz NPRFLTSYTFSDOS-WFASDCNBSA-N 2 1 248.370 1.533 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(CCO)cc1 ZINC001205083048 967332395 /nfs/dbraw/zinc/33/23/95/967332395.db2.gz NPRFLTSYTFSDOS-WFASDCNBSA-N 2 1 248.370 1.533 20 0 BDADMP CS[C@@H](C)CC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094818 967341804 /nfs/dbraw/zinc/34/18/04/967341804.db2.gz QKZQCTUTWIIATB-QWRGUYRKSA-N 2 1 216.394 1.941 20 0 BDADMP COc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1N ZINC001205116643 967364669 /nfs/dbraw/zinc/36/46/69/967364669.db2.gz FJZRJEHZZHJQOB-GFCCVEGCSA-N 2 1 249.358 1.591 20 0 BDADMP Cc1ncc(F)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117139 967368040 /nfs/dbraw/zinc/36/80/40/967368040.db2.gz LPPGJSHMFLYQOH-CYBMUJFWSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1ncc(F)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117139 967368047 /nfs/dbraw/zinc/36/80/47/967368047.db2.gz LPPGJSHMFLYQOH-CYBMUJFWSA-N 2 1 237.322 1.842 20 0 BDADMP Cc1ccnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205136133 967383661 /nfs/dbraw/zinc/38/36/61/967383661.db2.gz QGHIRCGSCSXDBX-NWDGAFQWSA-N 2 1 219.332 1.417 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000691359793 967401386 /nfs/dbraw/zinc/40/13/86/967401386.db2.gz NYPRPNPDDCGAMP-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CC2CCCC2)CC1 ZINC001205210134 967427730 /nfs/dbraw/zinc/42/77/30/967427730.db2.gz NCSCBTDUJFIHPQ-CYBMUJFWSA-N 2 1 226.364 1.352 20 0 BDADMP CCCCCC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210110 967430893 /nfs/dbraw/zinc/43/08/93/967430893.db2.gz MSJITOKQTVPOSA-CYBMUJFWSA-N 2 1 228.380 1.742 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001205257914 967452483 /nfs/dbraw/zinc/45/24/83/967452483.db2.gz YOHVIFHFRAYDQZ-HIFPTAJRSA-N 3 1 223.364 1.071 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2cnccc2N)CC1 ZINC001205266801 967456949 /nfs/dbraw/zinc/45/69/49/967456949.db2.gz XZTZTHCAHPHFFU-ZDUSSCGKSA-N 2 1 234.347 1.197 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cnccc2N)CC1 ZINC001205266801 967456955 /nfs/dbraw/zinc/45/69/55/967456955.db2.gz XZTZTHCAHPHFFU-ZDUSSCGKSA-N 2 1 234.347 1.197 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(N)n1 ZINC001205281161 967470476 /nfs/dbraw/zinc/47/04/76/967470476.db2.gz QNSBKAMAFJMXKX-CQSZACIVSA-N 2 1 248.374 1.676 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ncco2)CC1 ZINC001205570215 967697713 /nfs/dbraw/zinc/69/77/13/967697713.db2.gz HGIZFUKVTYZPIG-NSHDSACASA-N 2 1 227.283 1.328 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ncco2)CC1 ZINC001205570215 967697720 /nfs/dbraw/zinc/69/77/20/967697720.db2.gz HGIZFUKVTYZPIG-NSHDSACASA-N 2 1 227.283 1.328 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cocn2)CC1 ZINC001205571897 967700792 /nfs/dbraw/zinc/70/07/92/967700792.db2.gz ZDDGWDQXFRNZCR-NSHDSACASA-N 2 1 227.283 1.328 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cocn2)CC1 ZINC001205571897 967700799 /nfs/dbraw/zinc/70/07/99/967700799.db2.gz ZDDGWDQXFRNZCR-NSHDSACASA-N 2 1 227.283 1.328 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cnsc2)CC1 ZINC001205578611 967706089 /nfs/dbraw/zinc/70/60/89/967706089.db2.gz GWXSZJXFOFJXLM-NSHDSACASA-N 2 1 243.351 1.796 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cncnc2)CC[C@@H]1C[NH3+] ZINC001205618972 967729601 /nfs/dbraw/zinc/72/96/01/967729601.db2.gz ZSHQUAWXYNETGC-WCQYABFASA-N 2 1 234.347 1.283 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cscn2)CC[C@H]1C[NH3+] ZINC001205615800 967730247 /nfs/dbraw/zinc/73/02/47/967730247.db2.gz BDHRUHSTZOYYSS-QWRGUYRKSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnc2N)CC[C@H]1C[NH3+] ZINC001205637032 967733043 /nfs/dbraw/zinc/73/30/43/967733043.db2.gz GFJTVIJUNROTQI-RYUDHWBXSA-N 2 1 248.374 1.471 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CC2CCCC2)C1 ZINC001205664140 967756672 /nfs/dbraw/zinc/75/66/72/967756672.db2.gz MMNQNRDPVAXYGH-ZDUSSCGKSA-N 2 1 226.364 1.352 20 0 BDADMP CC(C)Nc1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162383617 967818404 /nfs/dbraw/zinc/81/84/04/967818404.db2.gz AEBXHUCMXJWTKJ-QWRGUYRKSA-N 2 1 249.362 1.979 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(N)c2)C1 ZINC001205839418 967847158 /nfs/dbraw/zinc/84/71/58/967847158.db2.gz FSOMOOWPVQIYAS-SMDDNHRTSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(N)c2)C1 ZINC001205839418 967847160 /nfs/dbraw/zinc/84/71/60/967847160.db2.gz FSOMOOWPVQIYAS-SMDDNHRTSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CC[N@H+](CCC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC001205863391 967859331 /nfs/dbraw/zinc/85/93/31/967859331.db2.gz QEWVCQDZSCXLEB-OCCSQVGLSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC001205863391 967859334 /nfs/dbraw/zinc/85/93/34/967859334.db2.gz QEWVCQDZSCXLEB-OCCSQVGLSA-N 3 1 239.407 1.387 20 0 BDADMP CC[N@@H+]1C[C@H]2CN(Cc3ccncc3C)C[C@H]2C1 ZINC001205873998 967868023 /nfs/dbraw/zinc/86/80/23/967868023.db2.gz XZXGDJOVZRKDIJ-GASCZTMLSA-N 2 1 245.370 1.774 20 0 BDADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3C)C[C@@H]2C1 ZINC001205873998 967868024 /nfs/dbraw/zinc/86/80/24/967868024.db2.gz XZXGDJOVZRKDIJ-GASCZTMLSA-N 2 1 245.370 1.774 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3C)C[C@@H]2C1 ZINC001205873998 967868026 /nfs/dbraw/zinc/86/80/26/967868026.db2.gz XZXGDJOVZRKDIJ-GASCZTMLSA-N 2 1 245.370 1.774 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3C)C[C@@H]2C1 ZINC001205873998 967868028 /nfs/dbraw/zinc/86/80/28/967868028.db2.gz XZXGDJOVZRKDIJ-GASCZTMLSA-N 2 1 245.370 1.774 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3C)C[C@@H]2C1 ZINC001205873998 967868029 /nfs/dbraw/zinc/86/80/29/967868029.db2.gz XZXGDJOVZRKDIJ-GASCZTMLSA-N 2 1 245.370 1.774 20 0 BDADMP N[C@@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001205925855 967888562 /nfs/dbraw/zinc/88/85/62/967888562.db2.gz ZQGCTZGYDMICEL-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@@H]1CCCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC001205925855 967888566 /nfs/dbraw/zinc/88/85/66/967888566.db2.gz ZQGCTZGYDMICEL-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001205945632 967897954 /nfs/dbraw/zinc/89/79/54/967897954.db2.gz AEMDHMKVURHMRG-HUUCEWRRSA-N 2 1 246.354 1.069 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001205945632 967897957 /nfs/dbraw/zinc/89/79/57/967897957.db2.gz AEMDHMKVURHMRG-HUUCEWRRSA-N 2 1 246.354 1.069 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](O)C2(C)C)CC1 ZINC001205974110 967926069 /nfs/dbraw/zinc/92/60/69/967926069.db2.gz LWSOVRJPBOHJKH-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCO)CCC[C@H]1C[NH3+] ZINC001205984677 967936659 /nfs/dbraw/zinc/93/66/59/967936659.db2.gz UCWISLVJOUMVPP-NEPJUHHUSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(=O)[nH]2)CCC[C@H]1C[NH3+] ZINC001205991340 967940021 /nfs/dbraw/zinc/94/00/21/967940021.db2.gz ADSBEFSSLKJBFZ-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nccn2C)CCC[C@@H]1C[NH3+] ZINC001205996736 967946320 /nfs/dbraw/zinc/94/63/20/967946320.db2.gz XZVSMFPHAPTWGE-NWDGAFQWSA-N 2 1 236.363 1.227 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205993425 967946963 /nfs/dbraw/zinc/94/69/63/967946963.db2.gz HPSJVKNTHLUXTL-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncn2C)CCC[C@H]1C[NH3+] ZINC001205994682 967949954 /nfs/dbraw/zinc/94/99/54/967949954.db2.gz LVGKXVKFPFFAFJ-RYUDHWBXSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2)CCC[C@@H]1C[NH3+] ZINC001205994135 967953544 /nfs/dbraw/zinc/95/35/44/967953544.db2.gz JRPPOTYOJCCHRQ-GXTWGEPZSA-N 2 1 233.359 1.888 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccnnc2)CCC[C@H]1C[NH3+] ZINC001206005587 967959648 /nfs/dbraw/zinc/95/96/48/967959648.db2.gz YUBGCHDPUOPDAB-YPMHNXCESA-N 2 1 234.347 1.283 20 0 BDADMP Cc1ccc[nH+]c1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163147946 967993277 /nfs/dbraw/zinc/99/32/77/967993277.db2.gz VGNNLYYVANQIBJ-AAEUAGOBSA-N 2 1 233.315 1.038 20 0 BDADMP COc1ccc(CCC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206048928 968014336 /nfs/dbraw/zinc/01/43/36/968014336.db2.gz BFQBNJMDRGTFCP-IUODEOHRSA-N 2 1 248.370 1.907 20 0 BDADMP COc1ccc(CCC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206048928 968014344 /nfs/dbraw/zinc/01/43/44/968014344.db2.gz BFQBNJMDRGTFCP-IUODEOHRSA-N 2 1 248.370 1.907 20 0 BDADMP CC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206157000 968081271 /nfs/dbraw/zinc/08/12/71/968081271.db2.gz VMHRIGCGEHAXKN-HBNTYKKESA-N 2 1 202.317 1.794 20 0 BDADMP CC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206157000 968081287 /nfs/dbraw/zinc/08/12/87/968081287.db2.gz VMHRIGCGEHAXKN-HBNTYKKESA-N 2 1 202.317 1.794 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CCCn2cccn2)CC[C@@H]1F ZINC001206154451 968090364 /nfs/dbraw/zinc/09/03/64/968090364.db2.gz JBOGOFBDYZXSSR-RYUDHWBXSA-N 2 1 240.326 1.034 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CCCn2cccn2)CC[C@@H]1F ZINC001206154451 968090373 /nfs/dbraw/zinc/09/03/73/968090373.db2.gz JBOGOFBDYZXSSR-RYUDHWBXSA-N 2 1 240.326 1.034 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206167154 968096582 /nfs/dbraw/zinc/09/65/82/968096582.db2.gz XJHBWHMAMPGEAL-WDEREUQCSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206167154 968096592 /nfs/dbraw/zinc/09/65/92/968096592.db2.gz XJHBWHMAMPGEAL-WDEREUQCSA-N 2 1 243.351 1.713 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163904 968104375 /nfs/dbraw/zinc/10/43/75/968104375.db2.gz HQHNESMKHWZCQD-NEPJUHHUSA-N 2 1 240.326 1.288 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163904 968104381 /nfs/dbraw/zinc/10/43/81/968104381.db2.gz HQHNESMKHWZCQD-NEPJUHHUSA-N 2 1 240.326 1.288 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccn1 ZINC001206164813 968104557 /nfs/dbraw/zinc/10/45/57/968104557.db2.gz LLJMZVQROSPNDD-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccn1 ZINC001206164813 968104570 /nfs/dbraw/zinc/10/45/70/968104570.db2.gz LLJMZVQROSPNDD-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)o1 ZINC001206197209 968125066 /nfs/dbraw/zinc/12/50/66/968125066.db2.gz GUIDJZAQLBSWTO-MNOVXSKESA-N 2 1 241.310 1.553 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)o1 ZINC001206197209 968125072 /nfs/dbraw/zinc/12/50/72/968125072.db2.gz GUIDJZAQLBSWTO-MNOVXSKESA-N 2 1 241.310 1.553 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206295791 968203152 /nfs/dbraw/zinc/20/31/52/968203152.db2.gz NTNYFGZRHKXYTD-ZDUSSCGKSA-N 2 1 242.363 1.391 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncccn2)CC1 ZINC001206305256 968215200 /nfs/dbraw/zinc/21/52/00/968215200.db2.gz XKQXINMTWKXOBG-ZDUSSCGKSA-N 2 1 234.347 1.428 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311579 968218035 /nfs/dbraw/zinc/21/80/35/968218035.db2.gz QWJRNTYNJKQKOH-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP [NH3+]C[C@@]1(F)CCCCN(CCCCCO)C1 ZINC001206335617 968219330 /nfs/dbraw/zinc/21/93/30/968219330.db2.gz HAZNZXWKJARUFH-LBPRGKRZSA-N 2 1 232.343 1.302 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N)nc2)CC1 ZINC001206317232 968223557 /nfs/dbraw/zinc/22/35/57/968223557.db2.gz DENUWUUSESRASC-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206326828 968236349 /nfs/dbraw/zinc/23/63/49/968236349.db2.gz PNNOMOFAVXUNAU-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206464849 968325903 /nfs/dbraw/zinc/32/59/03/968325903.db2.gz UMPDQDZEADUKIW-UONOGXRCSA-N 2 1 234.343 1.055 20 0 BDADMP CC1(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)COC1 ZINC001206542291 968367112 /nfs/dbraw/zinc/36/71/12/968367112.db2.gz XGRPPUGVLNTXIL-GFCCVEGCSA-N 2 1 226.364 1.474 20 0 BDADMP Cn1cccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206542003 968368755 /nfs/dbraw/zinc/36/87/55/968368755.db2.gz OZZJLYVGUHPVJI-CQSZACIVSA-N 2 1 235.375 1.976 20 0 BDADMP COCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541045 968369125 /nfs/dbraw/zinc/36/91/25/968369125.db2.gz FPOIBFUJQLNGRG-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206548129 968373594 /nfs/dbraw/zinc/37/35/94/968373594.db2.gz HDQXFIUGFPXPFW-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206548129 968373606 /nfs/dbraw/zinc/37/36/06/968373606.db2.gz HDQXFIUGFPXPFW-CYBMUJFWSA-N 2 1 236.363 1.371 20 0 BDADMP N[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCC1(F)F ZINC001206649260 968426985 /nfs/dbraw/zinc/42/69/85/968426985.db2.gz RZSQLQHALNISMT-NSHDSACASA-N 2 1 247.333 1.044 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC001206709061 968436964 /nfs/dbraw/zinc/43/69/64/968436964.db2.gz BGQOTHNZBDJKFC-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cncc(F)c3)C2)CC1 ZINC001207025218 968558842 /nfs/dbraw/zinc/55/88/42/968558842.db2.gz VTCFEXQLYSCTLZ-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP C[NH+]1CC2(C1)CC[NH+](Cc1ncccc1F)CC2 ZINC001207036264 968568358 /nfs/dbraw/zinc/56/83/58/968568358.db2.gz VDSVRSFFLMAZCZ-UHFFFAOYSA-N 2 1 249.333 1.748 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252096458 968578194 /nfs/dbraw/zinc/57/81/94/968578194.db2.gz CCGDDXIOIIEQIY-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001252096458 968578200 /nfs/dbraw/zinc/57/82/00/968578200.db2.gz CCGDDXIOIIEQIY-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP CCCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001252096458 968578208 /nfs/dbraw/zinc/57/82/08/968578208.db2.gz CCGDDXIOIIEQIY-MJBXVCDLSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+](C)C1(C)CN(Cc2[nH+]cc3ccccn32)C1 ZINC001207053096 968586966 /nfs/dbraw/zinc/58/69/66/968586966.db2.gz JCANXGIECLFZTM-UHFFFAOYSA-N 2 1 244.342 1.470 20 0 BDADMP C[N@H+](Cc1cc[nH]c(=O)c1)C1CC[NH+](C)CC1 ZINC001207115910 968639591 /nfs/dbraw/zinc/63/95/91/968639591.db2.gz CSOLYENVTHUSFU-UHFFFAOYSA-N 2 1 235.331 1.313 20 0 BDADMP C[N@@H+](Cc1cc[nH]c(=O)c1)C1CC[NH+](C)CC1 ZINC001207115910 968639594 /nfs/dbraw/zinc/63/95/94/968639594.db2.gz CSOLYENVTHUSFU-UHFFFAOYSA-N 2 1 235.331 1.313 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001207282819 968719917 /nfs/dbraw/zinc/71/99/17/968719917.db2.gz PWOOGLCZPPYPPR-QWHCGFSZSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001207395267 968749563 /nfs/dbraw/zinc/74/95/63/968749563.db2.gz ROLFPZNOWFSEJT-RWMBFGLXSA-N 2 1 226.339 1.618 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001207398673 968750628 /nfs/dbraw/zinc/75/06/28/968750628.db2.gz HNVSXMNQHJULSD-BETUJISGSA-N 2 1 236.359 1.239 20 0 BDADMP CC(=O)[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207399405 968751870 /nfs/dbraw/zinc/75/18/70/968751870.db2.gz MPNHFXOPMRCBML-ZDUSSCGKSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001207394868 968752996 /nfs/dbraw/zinc/75/29/96/968752996.db2.gz NZFCIXJMNFRFDC-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCCC23COC3)CC1 ZINC001207398393 968753321 /nfs/dbraw/zinc/75/33/21/968753321.db2.gz MEDXEVNVTASTJG-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@]1(C)O ZINC001207436507 968767823 /nfs/dbraw/zinc/76/78/23/968767823.db2.gz KULRJBCZPLIRCD-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP FC1(F)C[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2C1 ZINC001207436259 968768655 /nfs/dbraw/zinc/76/86/55/968768655.db2.gz YWGLSGPZWQMDDE-TXEJJXNPSA-N 2 1 244.329 1.963 20 0 BDADMP COCC[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207437613 968769260 /nfs/dbraw/zinc/76/92/60/968769260.db2.gz MDSQJBUBPULQTF-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+]1C[C@@H]2CCCN(CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001207439101 968772231 /nfs/dbraw/zinc/77/22/31/968772231.db2.gz MPOTZLMRDGXPLB-UONOGXRCSA-N 2 1 237.391 1.012 20 0 BDADMP c1cnc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)nc1 ZINC001207443176 968775440 /nfs/dbraw/zinc/77/54/40/968775440.db2.gz OQGIBBNYCIPLJH-CYBMUJFWSA-N 2 1 246.358 1.613 20 0 BDADMP C([C@@H]1CCCOC1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207469560 968788610 /nfs/dbraw/zinc/78/86/10/968788610.db2.gz MWBSAGMTFYGHHZ-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP CC[N@@H+](CCC1CC[NH+](C)CC1)CCN(C)C ZINC001207480217 968800095 /nfs/dbraw/zinc/80/00/95/968800095.db2.gz XHXPZYUXOQXFDW-UHFFFAOYSA-N 2 1 241.423 1.602 20 0 BDADMP COC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829276035 968827192 /nfs/dbraw/zinc/82/71/92/968827192.db2.gz RUPCYTZOKCPZEY-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[N@@H+]1C ZINC001207861769 968907729 /nfs/dbraw/zinc/90/77/29/968907729.db2.gz HQWIWPUHCWDLNV-UJPOAAIJSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[N@H+]1C ZINC001207861769 968907737 /nfs/dbraw/zinc/90/77/37/968907737.db2.gz HQWIWPUHCWDLNV-UJPOAAIJSA-N 2 1 224.348 1.379 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC3(COC3)C2)CC1 ZINC001208107852 969000065 /nfs/dbraw/zinc/00/00/65/969000065.db2.gz LDDPLWAIBVHNEI-UHFFFAOYSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001208107751 969003122 /nfs/dbraw/zinc/00/31/22/969003122.db2.gz KBCHBHWSNLUSFW-RYUDHWBXSA-N 2 1 244.354 1.123 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113271 969005657 /nfs/dbraw/zinc/00/56/57/969005657.db2.gz FZDITONHESXWLT-STQMWFEESA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)C[C@H]1O ZINC001208184535 969115855 /nfs/dbraw/zinc/11/58/55/969115855.db2.gz MRDKQTAOZUUZDP-QWHCGFSZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC001208592049 969146641 /nfs/dbraw/zinc/14/66/41/969146641.db2.gz BWTQBRVPEAIREY-CYBMUJFWSA-N 2 1 244.354 1.125 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001208596424 969152556 /nfs/dbraw/zinc/15/25/56/969152556.db2.gz NUXBPERJOBXEKR-OKILXGFUSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1CCC[C@H](CN2CC[NH+](C3CC3)CC2)C1 ZINC001208604071 969156883 /nfs/dbraw/zinc/15/68/83/969156883.db2.gz KTCVANGHFJTIFL-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(COC3)CC2)C1 ZINC001208605102 969158145 /nfs/dbraw/zinc/15/81/45/969158145.db2.gz YTWVIPKNJYZIDS-CYBMUJFWSA-N 2 1 238.375 1.441 20 0 BDADMP CCOC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208606710 969165646 /nfs/dbraw/zinc/16/56/46/969165646.db2.gz HXLGGRCEJSERAH-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208609109 969166949 /nfs/dbraw/zinc/16/69/49/969166949.db2.gz YCUMBRMOQPIPIL-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208609109 969166954 /nfs/dbraw/zinc/16/69/54/969166954.db2.gz YCUMBRMOQPIPIL-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208609109 969166962 /nfs/dbraw/zinc/16/69/62/969166962.db2.gz YCUMBRMOQPIPIL-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP COC[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208609109 969166970 /nfs/dbraw/zinc/16/69/70/969166970.db2.gz YCUMBRMOQPIPIL-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208616655 969172828 /nfs/dbraw/zinc/17/28/28/969172828.db2.gz KZBSADRHIHQHCA-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCO[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208616655 969172833 /nfs/dbraw/zinc/17/28/33/969172833.db2.gz KZBSADRHIHQHCA-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CCO[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208616655 969172836 /nfs/dbraw/zinc/17/28/36/969172836.db2.gz KZBSADRHIHQHCA-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@@H+](CCN[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386807937 969195806 /nfs/dbraw/zinc/19/58/06/969195806.db2.gz CZFNBKZEUSYSNW-HNNXBMFYSA-N 2 1 247.386 1.460 20 0 BDADMP CCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001253562500 969232710 /nfs/dbraw/zinc/23/27/10/969232710.db2.gz DMPHZZITQXSBRS-MELADBBJSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001253731116 969354026 /nfs/dbraw/zinc/35/40/26/969354026.db2.gz LYUSOEWKBVPNFX-YRGRVCCFSA-N 2 1 240.391 1.277 20 0 BDADMP CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169094516 969382818 /nfs/dbraw/zinc/38/28/18/969382818.db2.gz MASQDIRDIOPWBJ-QSLWVIQJSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCCOC1)C2 ZINC001169094548 969387807 /nfs/dbraw/zinc/38/78/07/969387807.db2.gz MKJBPCYVSRPMMB-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)C2 ZINC001169099157 969389960 /nfs/dbraw/zinc/38/99/60/969389960.db2.gz OHXFURQORISAIS-CLLJXQQHSA-N 2 1 247.342 1.502 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CSC1)C2 ZINC001169098203 969391901 /nfs/dbraw/zinc/39/19/01/969391901.db2.gz GSRFCMIQAZNOCQ-GUDFOSOFSA-N 2 1 212.362 1.317 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])cn1)C2 ZINC001169097840 969392495 /nfs/dbraw/zinc/39/24/95/969392495.db2.gz CLDCPDOHDXUURE-ITGUQSILSA-N 2 1 234.347 1.182 20 0 BDADMP CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098390 969392792 /nfs/dbraw/zinc/39/27/92/969392792.db2.gz HAVQRWIRMGXXNH-ZDEQEGDKSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccccn1)C2 ZINC001169077912 969396852 /nfs/dbraw/zinc/39/68/52/969396852.db2.gz BLSHPKCYCQOKPC-QKDCVEJESA-N 2 1 245.370 1.839 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(O)CCCC1)C2 ZINC001169079186 969399698 /nfs/dbraw/zinc/39/96/98/969399698.db2.gz JNTNTCNNMLPQEQ-CLLJXQQHSA-N 2 1 238.375 1.506 20 0 BDADMP C[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080399 969403580 /nfs/dbraw/zinc/40/35/80/969403580.db2.gz NDXVBZKVEVGYFH-CLLJXQQHSA-N 2 1 225.380 1.153 20 0 BDADMP COC(=O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079802 969405256 /nfs/dbraw/zinc/40/52/56/969405256.db2.gz LQNRJDGBZPPRDV-ZSBIGDGJSA-N 2 1 240.347 1.154 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)C2 ZINC001169090889 969410164 /nfs/dbraw/zinc/41/01/64/969410164.db2.gz NGGJODPQQHRGRN-RGDJUOJXSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H]1CO)C2 ZINC001169124022 969417961 /nfs/dbraw/zinc/41/79/61/969417961.db2.gz PKYOXNMDIBBQHQ-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H]1CO)C2 ZINC001169124022 969417963 /nfs/dbraw/zinc/41/79/63/969417963.db2.gz PKYOXNMDIBBQHQ-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H]1CO)C2 ZINC001169124022 969417966 /nfs/dbraw/zinc/41/79/66/969417966.db2.gz PKYOXNMDIBBQHQ-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H]1CO)C2 ZINC001169124022 969417968 /nfs/dbraw/zinc/41/79/68/969417968.db2.gz PKYOXNMDIBBQHQ-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](CO)C1)C2 ZINC001169122760 969421645 /nfs/dbraw/zinc/42/16/45/969421645.db2.gz CYCMYMKBEYHOIX-MQYQWHSLSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](CO)C1)C2 ZINC001169122760 969421650 /nfs/dbraw/zinc/42/16/50/969421650.db2.gz CYCMYMKBEYHOIX-MQYQWHSLSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](CO)C1)C2 ZINC001169122760 969421658 /nfs/dbraw/zinc/42/16/58/969421658.db2.gz CYCMYMKBEYHOIX-MQYQWHSLSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]1(C)CCCOC1)C2 ZINC001169125348 969427609 /nfs/dbraw/zinc/42/76/09/969427609.db2.gz ZPFUFTYUWFWXHA-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](O)C1)C2 ZINC001169125352 969428808 /nfs/dbraw/zinc/42/88/08/969428808.db2.gz ZQTKBZZXHCFVJQ-MROQNXINSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](O)C1)C2 ZINC001169125352 969428810 /nfs/dbraw/zinc/42/88/10/969428810.db2.gz ZQTKBZZXHCFVJQ-MROQNXINSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](O)C1)C2 ZINC001169125352 969428815 /nfs/dbraw/zinc/42/88/15/969428815.db2.gz ZQTKBZZXHCFVJQ-MROQNXINSA-N 2 1 224.348 1.068 20 0 BDADMP COC[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126418 969431181 /nfs/dbraw/zinc/43/11/81/969431181.db2.gz SVOXVWLFCBSXJE-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126418 969431184 /nfs/dbraw/zinc/43/11/84/969431184.db2.gz SVOXVWLFCBSXJE-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126418 969431187 /nfs/dbraw/zinc/43/11/87/969431187.db2.gz SVOXVWLFCBSXJE-CRWXNKLISA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H](O)C1)C2 ZINC001169126163 969432229 /nfs/dbraw/zinc/43/22/29/969432229.db2.gz QMCFDZHYPODNJJ-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H](O)C1)C2 ZINC001169126163 969432232 /nfs/dbraw/zinc/43/22/32/969432232.db2.gz QMCFDZHYPODNJJ-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H](O)C1)C2 ZINC001169126163 969432235 /nfs/dbraw/zinc/43/22/35/969432235.db2.gz QMCFDZHYPODNJJ-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107425 969448005 /nfs/dbraw/zinc/44/80/05/969448005.db2.gz GMWZRWSJVLPFRM-FQUUOJAGSA-N 2 1 240.391 1.608 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@](C)(O)C1)C2 ZINC001169141319 969452760 /nfs/dbraw/zinc/45/27/60/969452760.db2.gz PRNNOTMAGXXWHF-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@](C)(O)C1)C2 ZINC001169141319 969452771 /nfs/dbraw/zinc/45/27/71/969452771.db2.gz PRNNOTMAGXXWHF-CRWXNKLISA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@](C)(O)C1)C2 ZINC001169141322 969455081 /nfs/dbraw/zinc/45/50/81/969455081.db2.gz PRNNOTMAGXXWHF-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@](C)(O)C1)C2 ZINC001169141322 969455086 /nfs/dbraw/zinc/45/50/86/969455086.db2.gz PRNNOTMAGXXWHF-XJFOESAGSA-N 2 1 238.375 1.458 20 0 BDADMP CC[C@H]1COCCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142609 969455680 /nfs/dbraw/zinc/45/56/80/969455680.db2.gz DLISBCALWCVGQV-IGQOVBAYSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1COC(C)(C)C1)C2 ZINC001169112678 969457202 /nfs/dbraw/zinc/45/72/02/969457202.db2.gz RQXKNYCOWZQRBD-LPWJVIDDSA-N 2 1 238.375 1.769 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@](C)(O)C1)C2 ZINC001169141324 969459177 /nfs/dbraw/zinc/45/91/77/969459177.db2.gz PRNNOTMAGXXWHF-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@](C)(O)C1)C2 ZINC001169141324 969459188 /nfs/dbraw/zinc/45/91/88/969459188.db2.gz PRNNOTMAGXXWHF-ZOBORPQBSA-N 2 1 238.375 1.458 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(CSC3)C1)C2 ZINC001169154245 969473787 /nfs/dbraw/zinc/47/37/87/969473787.db2.gz OYHCFXLPIJORKZ-ZSBIGDGJSA-N 2 1 238.400 1.660 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(CSC3)C1)C2 ZINC001169154245 969473794 /nfs/dbraw/zinc/47/37/94/969473794.db2.gz OYHCFXLPIJORKZ-ZSBIGDGJSA-N 2 1 238.400 1.660 20 0 BDADMP COC[C@H]1CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169160102 969478964 /nfs/dbraw/zinc/47/89/64/969478964.db2.gz AUWLOQOHCSDFAB-YVECIDJPSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@H]1CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160102 969478970 /nfs/dbraw/zinc/47/89/70/969478970.db2.gz AUWLOQOHCSDFAB-YVECIDJPSA-N 2 1 224.348 1.332 20 0 BDADMP COC[C@H]1CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160102 969478980 /nfs/dbraw/zinc/47/89/80/969478980.db2.gz AUWLOQOHCSDFAB-YVECIDJPSA-N 2 1 224.348 1.332 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc[nH]c2)CCC[C@@H]1C[NH3+] ZINC001206004175 969479560 /nfs/dbraw/zinc/47/95/60/969479560.db2.gz QWXQRZLYTKXSGD-DGCLKSJQSA-N 2 1 221.348 1.822 20 0 BDADMP CC[NH+](CC)Cc1cn(-c2cc[nH+]c(N)c2)nn1 ZINC001254080024 969482734 /nfs/dbraw/zinc/48/27/34/969482734.db2.gz WQQPFLUWOGMKPF-UHFFFAOYSA-N 2 1 246.318 1.086 20 0 BDADMP CC[NH+]1CCC([NH2+]Cc2ccccc2CO)CC1 ZINC001169230532 969501672 /nfs/dbraw/zinc/50/16/72/969501672.db2.gz DELYWSQYBXLZRJ-UHFFFAOYSA-N 2 1 248.370 1.753 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209430014 969502957 /nfs/dbraw/zinc/50/29/57/969502957.db2.gz IYICIFHLGUBVEF-XDQVBPFNSA-N 2 1 222.376 1.916 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209430014 969502966 /nfs/dbraw/zinc/50/29/66/969502966.db2.gz IYICIFHLGUBVEF-XDQVBPFNSA-N 2 1 222.376 1.916 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209430014 969502971 /nfs/dbraw/zinc/50/29/71/969502971.db2.gz IYICIFHLGUBVEF-XDQVBPFNSA-N 2 1 222.376 1.916 20 0 BDADMP CC[NH+]1CCC([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001169265722 969524875 /nfs/dbraw/zinc/52/48/75/969524875.db2.gz QTDPAJLWIIFBTB-XYYAHUGASA-N 2 1 226.339 1.618 20 0 BDADMP CC[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001169265722 969524871 /nfs/dbraw/zinc/52/48/71/969524871.db2.gz QTDPAJLWIIFBTB-XYYAHUGASA-N 2 1 226.339 1.618 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC001169245202 969531969 /nfs/dbraw/zinc/53/19/69/969531969.db2.gz BRTIHORKCHZKJG-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC001169245202 969531977 /nfs/dbraw/zinc/53/19/77/969531977.db2.gz BRTIHORKCHZKJG-YPMHNXCESA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001169245646 969535371 /nfs/dbraw/zinc/53/53/71/969535371.db2.gz GZPIRSAACBLKDP-STQMWFEESA-N 2 1 244.354 1.266 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001169245646 969535374 /nfs/dbraw/zinc/53/53/74/969535374.db2.gz GZPIRSAACBLKDP-STQMWFEESA-N 2 1 244.354 1.266 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001169251501 969540350 /nfs/dbraw/zinc/54/03/50/969540350.db2.gz WUKGTSVLHXWURD-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001169251501 969540356 /nfs/dbraw/zinc/54/03/56/969540356.db2.gz WUKGTSVLHXWURD-OCCSQVGLSA-N 2 1 238.375 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001169249844 969540467 /nfs/dbraw/zinc/54/04/67/969540467.db2.gz LQDMBYPXZIHKPR-CHWSQXEVSA-N 2 1 224.348 1.334 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001169249844 969540470 /nfs/dbraw/zinc/54/04/70/969540470.db2.gz LQDMBYPXZIHKPR-CHWSQXEVSA-N 2 1 224.348 1.334 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCCOC1 ZINC001254367788 969580538 /nfs/dbraw/zinc/58/05/38/969580538.db2.gz MAMFILHUMZSKPC-ZDUSSCGKSA-N 2 1 228.380 1.877 20 0 BDADMP CC1(C)C[N@H+](Cc2c[nH+]ccc2N)[C@](C)(CO)C1 ZINC001209728423 969583352 /nfs/dbraw/zinc/58/33/52/969583352.db2.gz FANWIIUEAWJWBR-AWEZNQCLSA-N 2 1 249.358 1.477 20 0 BDADMP CC1(C)C[N@@H+](Cc2c[nH+]ccc2N)[C@](C)(CO)C1 ZINC001209728423 969583355 /nfs/dbraw/zinc/58/33/55/969583355.db2.gz FANWIIUEAWJWBR-AWEZNQCLSA-N 2 1 249.358 1.477 20 0 BDADMP COC[C@H]1CCCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209730141 969586118 /nfs/dbraw/zinc/58/61/18/969586118.db2.gz TYKSRLMHGDYVOR-GFCCVEGCSA-N 2 1 235.331 1.495 20 0 BDADMP COC[C@H]1CCCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209730141 969586128 /nfs/dbraw/zinc/58/61/28/969586128.db2.gz TYKSRLMHGDYVOR-GFCCVEGCSA-N 2 1 235.331 1.495 20 0 BDADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOC2)[C@H](C)C1 ZINC001254374823 969588086 /nfs/dbraw/zinc/58/80/86/969588086.db2.gz LVDOZFIXYJYSNN-HZSPNIEDSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@H+](CCc1cccnc1)Cc1c[nH+]ccc1N ZINC001209731473 969594230 /nfs/dbraw/zinc/59/42/30/969594230.db2.gz RLUWUJNSKCPTSV-UHFFFAOYSA-N 2 1 242.326 1.564 20 0 BDADMP C[N@@H+](CCc1cccnc1)Cc1c[nH+]ccc1N ZINC001209731473 969594237 /nfs/dbraw/zinc/59/42/37/969594237.db2.gz RLUWUJNSKCPTSV-UHFFFAOYSA-N 2 1 242.326 1.564 20 0 BDADMP CC(C)[N@@H+](C)[C@@H]1CCN(Cc2c[nH+]ccc2N)C1 ZINC001209733436 969595275 /nfs/dbraw/zinc/59/52/75/969595275.db2.gz XFFFLWPDSIOYNS-CYBMUJFWSA-N 2 1 248.374 1.409 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254381913 969597181 /nfs/dbraw/zinc/59/71/81/969597181.db2.gz ZIIUQBHBTJLOBJ-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254381913 969597185 /nfs/dbraw/zinc/59/71/85/969597185.db2.gz ZIIUQBHBTJLOBJ-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254381913 969597191 /nfs/dbraw/zinc/59/71/91/969597191.db2.gz ZIIUQBHBTJLOBJ-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209734536 969598297 /nfs/dbraw/zinc/59/82/97/969598297.db2.gz TWRYXKJMFBVREV-LLVKDONJSA-N 2 1 205.305 1.869 20 0 BDADMP CC[C@@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209734536 969598303 /nfs/dbraw/zinc/59/83/03/969598303.db2.gz TWRYXKJMFBVREV-LLVKDONJSA-N 2 1 205.305 1.869 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001209737796 969599486 /nfs/dbraw/zinc/59/94/86/969599486.db2.gz RFXICPSOPZOYLT-GXFFZTMASA-N 2 1 233.315 1.105 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001209737796 969599493 /nfs/dbraw/zinc/59/94/93/969599493.db2.gz RFXICPSOPZOYLT-GXFFZTMASA-N 2 1 233.315 1.105 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001209737397 969600580 /nfs/dbraw/zinc/60/05/80/969600580.db2.gz MQPDQEAUGHZSMC-LSJOCFKGSA-N 2 1 221.279 1.426 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001209737397 969600581 /nfs/dbraw/zinc/60/05/81/969600581.db2.gz MQPDQEAUGHZSMC-LSJOCFKGSA-N 2 1 221.279 1.426 20 0 BDADMP C[NH+]1CCC2(C[NH+](Cc3cnccn3)C2)CC1 ZINC001209787381 969619870 /nfs/dbraw/zinc/61/98/70/969619870.db2.gz WMQHYNIEFPDZOY-UHFFFAOYSA-N 2 1 232.331 1.004 20 0 BDADMP COCC(C)(C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254500120 969659284 /nfs/dbraw/zinc/65/92/84/969659284.db2.gz FMMPVMUKYRWCQD-LLVKDONJSA-N 2 1 214.353 1.485 20 0 BDADMP Cc1ncn([C@@H]2CCC[N@H+](C)CC2)c1CC[NH3+] ZINC001254500132 969663723 /nfs/dbraw/zinc/66/37/23/969663723.db2.gz FUIHQUFJMDZNQT-GFCCVEGCSA-N 2 1 236.363 1.350 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)c2cccnc2)CC1 ZINC001254505511 969674855 /nfs/dbraw/zinc/67/48/55/969674855.db2.gz HRQLKRJMIVAKFE-UONOGXRCSA-N 2 1 249.358 1.189 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254504022 969675458 /nfs/dbraw/zinc/67/54/58/969675458.db2.gz RAZJHVVCRSWDGL-CYBMUJFWSA-N 2 1 234.347 1.359 20 0 BDADMP Cc1ncc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)cn1 ZINC001254504022 969675473 /nfs/dbraw/zinc/67/54/73/969675473.db2.gz RAZJHVVCRSWDGL-CYBMUJFWSA-N 2 1 234.347 1.359 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2C[NH3+])CC1 ZINC001254506826 969676040 /nfs/dbraw/zinc/67/60/40/969676040.db2.gz AYNHMAFNYIKLOT-HNNXBMFYSA-N 3 1 247.386 1.719 20 0 BDADMP C[N@@H+]1CCC[C@H](NCc2ccccc2C[NH3+])CC1 ZINC001254506826 969676047 /nfs/dbraw/zinc/67/60/47/969676047.db2.gz AYNHMAFNYIKLOT-HNNXBMFYSA-N 2 1 247.386 1.719 20 0 BDADMP C[N@H+]1CCC[C@H](NCc2ccccc2C[NH3+])CC1 ZINC001254506826 969676049 /nfs/dbraw/zinc/67/60/49/969676049.db2.gz AYNHMAFNYIKLOT-HNNXBMFYSA-N 2 1 247.386 1.719 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCc2ccncn2)CC1 ZINC001254513526 969677884 /nfs/dbraw/zinc/67/78/84/969677884.db2.gz CWODGUMMJHRRML-LBPRGKRZSA-N 2 1 234.347 1.093 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2C=C(N)C=CC2)CC1 ZINC001254507764 969680789 /nfs/dbraw/zinc/68/07/89/969680789.db2.gz DBFHAUCPKHBLNP-LBPRGKRZSA-N 2 1 207.321 1.143 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C=C(N)C=CC2)CC1 ZINC001254507764 969680793 /nfs/dbraw/zinc/68/07/93/969680793.db2.gz DBFHAUCPKHBLNP-LBPRGKRZSA-N 2 1 207.321 1.143 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C=C(N)C=CC2)CC1 ZINC001254507764 969680800 /nfs/dbraw/zinc/68/08/00/969680800.db2.gz DBFHAUCPKHBLNP-LBPRGKRZSA-N 2 1 207.321 1.143 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C=C(N)C=CC2)CC1 ZINC001254507764 969680809 /nfs/dbraw/zinc/68/08/09/969680809.db2.gz DBFHAUCPKHBLNP-LBPRGKRZSA-N 2 1 207.321 1.143 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](CO)CC2)CC1 ZINC001254516343 969685750 /nfs/dbraw/zinc/68/57/50/969685750.db2.gz LYTDQJPMNMCMPG-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC001254516343 969685756 /nfs/dbraw/zinc/68/57/56/969685756.db2.gz LYTDQJPMNMCMPG-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](CO)CC2)CC1 ZINC001254516343 969685764 /nfs/dbraw/zinc/68/57/64/969685764.db2.gz LYTDQJPMNMCMPG-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CO[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515765 969692261 /nfs/dbraw/zinc/69/22/61/969692261.db2.gz CMVSBJUPGULHHZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254515765 969692265 /nfs/dbraw/zinc/69/22/65/969692265.db2.gz CMVSBJUPGULHHZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515765 969692272 /nfs/dbraw/zinc/69/22/72/969692272.db2.gz CMVSBJUPGULHHZ-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H](n2ncc3c2CC[NH2+]C3)CC1 ZINC001254518974 969699317 /nfs/dbraw/zinc/69/93/17/969699317.db2.gz FVRYOKFKZYSHKV-GFCCVEGCSA-N 2 1 234.347 1.186 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CCC[NH+](C)CC1 ZINC001254522580 969710083 /nfs/dbraw/zinc/71/00/83/969710083.db2.gz HKIXQACJLYXNDO-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C[C@@H]1CCCCO1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522580 969710091 /nfs/dbraw/zinc/71/00/91/969710091.db2.gz HKIXQACJLYXNDO-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C[C@@H]1CCCCO1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522580 969710093 /nfs/dbraw/zinc/71/00/93/969710093.db2.gz HKIXQACJLYXNDO-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CCO3)CC2)CC1 ZINC001254526298 969718404 /nfs/dbraw/zinc/71/84/04/969718404.db2.gz QLUQZAMDVBTKCO-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CCO3)CC2)CC1 ZINC001254526298 969718408 /nfs/dbraw/zinc/71/84/08/969718408.db2.gz QLUQZAMDVBTKCO-ZDUSSCGKSA-N 2 1 238.375 1.726 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1CCC[NH+](C)CC1 ZINC001254531084 969725285 /nfs/dbraw/zinc/72/52/85/969725285.db2.gz CXCNWUCTCLYSRX-IHRRRGAJSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1CCC[N@H+](C)CC1 ZINC001254531084 969725299 /nfs/dbraw/zinc/72/52/99/969725299.db2.gz CXCNWUCTCLYSRX-IHRRRGAJSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1CCC[N@@H+](C)CC1 ZINC001254531084 969725303 /nfs/dbraw/zinc/72/53/03/969725303.db2.gz CXCNWUCTCLYSRX-IHRRRGAJSA-N 2 1 237.391 1.249 20 0 BDADMP CCN(CCC[NH+](C)C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254531386 969731301 /nfs/dbraw/zinc/73/13/01/969731301.db2.gz KHSKWSYTXPUKJE-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP C[NH+](C)CCC[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254829312 969793056 /nfs/dbraw/zinc/79/30/56/969793056.db2.gz CINOBAIGOYTWFB-ZDUSSCGKSA-N 2 1 225.380 1.012 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254922202 969822148 /nfs/dbraw/zinc/82/21/48/969822148.db2.gz MZXRZATVEGTUFY-VXGBXAGGSA-N 2 1 247.342 1.539 20 0 BDADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC001255270886 970023827 /nfs/dbraw/zinc/02/38/27/970023827.db2.gz MVRREUITUCFBMO-WOPDTQHZSA-N 2 1 228.405 1.954 20 0 BDADMP CCN1CCC([N@@H+](C)[C@@H]2CCSC2)CC1 ZINC001255289984 970046407 /nfs/dbraw/zinc/04/64/07/970046407.db2.gz UUEJMEVUSVAZEB-GFCCVEGCSA-N 2 1 228.405 1.908 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCSC2)CC1 ZINC001255289984 970046413 /nfs/dbraw/zinc/04/64/13/970046413.db2.gz UUEJMEVUSVAZEB-GFCCVEGCSA-N 2 1 228.405 1.908 20 0 BDADMP CC(C)CCC[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001170057519 970099637 /nfs/dbraw/zinc/09/96/37/970099637.db2.gz KZILIUBHHZXFKE-GFCCVEGCSA-N 2 1 216.369 1.454 20 0 BDADMP CC(C)CCC[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001170057519 970099647 /nfs/dbraw/zinc/09/96/47/970099647.db2.gz KZILIUBHHZXFKE-GFCCVEGCSA-N 2 1 216.369 1.454 20 0 BDADMP OCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255377862 970125964 /nfs/dbraw/zinc/12/59/64/970125964.db2.gz LUVPQQYEFXGLEH-OAHLLOKOSA-N 2 1 248.370 1.623 20 0 BDADMP C[N@H+]1CC[C@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001255413088 970136338 /nfs/dbraw/zinc/13/63/38/970136338.db2.gz XBEOCEXANNDYEA-JTQLQIEISA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC001255417726 970140045 /nfs/dbraw/zinc/14/00/45/970140045.db2.gz OOLREYJBMVFDBZ-CYBMUJFWSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC001255417726 970140052 /nfs/dbraw/zinc/14/00/52/970140052.db2.gz OOLREYJBMVFDBZ-CYBMUJFWSA-N 2 1 237.391 1.297 20 0 BDADMP C[N@H+]1CC[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001255436115 970163854 /nfs/dbraw/zinc/16/38/54/970163854.db2.gz PCNFBMSLGUCKSK-UONOGXRCSA-N 2 1 237.391 1.251 20 0 BDADMP CCN(CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001255439544 970170956 /nfs/dbraw/zinc/17/09/56/970170956.db2.gz VEEIGFPSCPZAQZ-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)N([C@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC001255442096 970178025 /nfs/dbraw/zinc/17/80/25/970178025.db2.gz STETWJHJVZYUEQ-AWEZNQCLSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)N([C@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC001255442096 970178028 /nfs/dbraw/zinc/17/80/28/970178028.db2.gz STETWJHJVZYUEQ-AWEZNQCLSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]([NH3+])c1ccn([C@@H]2CCC[N@@H+](C)C2)n1 ZINC001255471833 970192231 /nfs/dbraw/zinc/19/22/31/970192231.db2.gz HUYBLKQSSORFEY-NXEZZACHSA-N 2 1 208.309 1.170 20 0 BDADMP C[N@H+]1CCC[C@H](n2cc3cc(C[NH3+])ccc3n2)C1 ZINC001255470709 970198193 /nfs/dbraw/zinc/19/81/93/970198193.db2.gz OLQAHMYTMWVBHR-ZDUSSCGKSA-N 2 1 244.342 1.762 20 0 BDADMP C[N@H+]1CCC[C@H](n2c(C[NH3+])nc3cnccc32)C1 ZINC001255476999 970212855 /nfs/dbraw/zinc/21/28/55/970212855.db2.gz JEDJOJJEMGXKOR-JTQLQIEISA-N 2 1 245.330 1.157 20 0 BDADMP CN(CC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC001255490958 970244603 /nfs/dbraw/zinc/24/46/03/970244603.db2.gz YQTBPMYGGSNGEZ-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170103501 970301378 /nfs/dbraw/zinc/30/13/78/970301378.db2.gz GEPHNQNFSHZOGR-WOPDTQHZSA-N 2 1 242.363 1.435 20 0 BDADMP CC[C@H]1C[C@@H](n2c(C)c[nH+]c2CC[NH3+])CCO1 ZINC001170169600 970542304 /nfs/dbraw/zinc/54/23/04/970542304.db2.gz GCJOMVFGVZXFPZ-RYUDHWBXSA-N 2 1 237.347 1.823 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CSCCS1)[C@@H]1CCC[NH2+]1 ZINC000400373680 970583602 /nfs/dbraw/zinc/58/36/02/970583602.db2.gz HVBHDLSDRBXYDG-AXFHLTTASA-N 2 1 246.445 1.565 20 0 BDADMP COCC(C)(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256067497 970630379 /nfs/dbraw/zinc/63/03/79/970630379.db2.gz RXSQUCRWJBMOJE-UHFFFAOYSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C1CC[NH+](C2CC2)CC1 ZINC001256081947 970646909 /nfs/dbraw/zinc/64/69/09/970646909.db2.gz GOFLUMXOJLIESZ-GJZGRUSLSA-N 2 1 249.402 1.392 20 0 BDADMP C[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001256198746 970692954 /nfs/dbraw/zinc/69/29/54/970692954.db2.gz SWTRGEUPTVYDLD-AWEZNQCLSA-N 2 1 237.391 1.155 20 0 BDADMP CO[C@@H](C)C1C[NH+](C2CC[NH+](C)CC2)C1 ZINC001256211487 970719383 /nfs/dbraw/zinc/71/93/83/970719383.db2.gz YIMOTUQXFOCMPS-JTQLQIEISA-N 2 1 212.337 1.047 20 0 BDADMP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246539841 972548332 /nfs/dbraw/zinc/54/83/32/972548332.db2.gz ITGLCBLLQXTJBN-VJTDZRGJSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246539841 972548350 /nfs/dbraw/zinc/54/83/50/972548350.db2.gz ITGLCBLLQXTJBN-VJTDZRGJSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CCO1 ZINC001246545318 972627831 /nfs/dbraw/zinc/62/78/31/972627831.db2.gz BFXKEIXTBAJZEP-JHJVBQTASA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@](C)(O)C2)C[NH2+]1 ZINC001246545688 972655057 /nfs/dbraw/zinc/65/50/57/972655057.db2.gz CILHGTSPYLHCDM-JHJVBQTASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](C)(O)C2)C[NH2+]1 ZINC001246545688 972655065 /nfs/dbraw/zinc/65/50/65/972655065.db2.gz CILHGTSPYLHCDM-JHJVBQTASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC001246547373 972671896 /nfs/dbraw/zinc/67/18/96/972671896.db2.gz CSWRJCXTBNEPDD-ZBBUEOHVSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC001246547373 972671901 /nfs/dbraw/zinc/67/19/01/972671901.db2.gz CSWRJCXTBNEPDD-ZBBUEOHVSA-N 3 1 237.391 1.186 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C2CCN(C3CC3)CC2)CC1 ZINC001246550342 972699526 /nfs/dbraw/zinc/69/95/26/972699526.db2.gz XTHUZBBLVLTZOS-LBPRGKRZSA-N 2 1 237.391 1.426 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C2CCN(C3CC3)CC2)CC1 ZINC001246550342 972699537 /nfs/dbraw/zinc/69/95/37/972699537.db2.gz XTHUZBBLVLTZOS-LBPRGKRZSA-N 2 1 237.391 1.426 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001246550967 972722008 /nfs/dbraw/zinc/72/20/08/972722008.db2.gz ZNIUGIKXECLFAR-IJLUTSLNSA-N 2 1 236.359 1.557 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@](C)(O)CC2)CC[NH2+]1 ZINC001246552780 972737811 /nfs/dbraw/zinc/73/78/11/972737811.db2.gz VEVBGGIMLQNCJZ-DGAVXFQQSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246553433 972751248 /nfs/dbraw/zinc/75/12/48/972751248.db2.gz RVWKXLZPNYQYLF-STQMWFEESA-N 2 1 226.364 1.759 20 0 BDADMP C[NH2+]C1CCC([N@H+]2C[C@@H](C)CC[C@@H]2CN)CC1 ZINC001246561387 972794753 /nfs/dbraw/zinc/79/47/53/972794753.db2.gz WWYHEWPTJCMDFQ-GFJIZPEISA-N 2 1 239.407 1.576 20 0 BDADMP COC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246564119 972803842 /nfs/dbraw/zinc/80/38/42/972803842.db2.gz YWOJZCOCPKYQSS-SDDRHHMPSA-N 2 1 214.353 1.328 20 0 BDADMP CSCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566091 972813989 /nfs/dbraw/zinc/81/39/89/972813989.db2.gz FGAQZWYDBBXHFT-OPRDCNLKSA-N 2 1 202.367 1.407 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2)CCC[C@@H]1C[NH3+] ZINC001246569695 972822862 /nfs/dbraw/zinc/82/28/62/972822862.db2.gz RXMVFMXUZAWVDG-MGPQQGTHSA-N 2 1 239.407 1.387 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568891 972826608 /nfs/dbraw/zinc/82/66/08/972826608.db2.gz SUFKVGFAVDXRJW-GRYCIOLGSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)CCN1 ZINC001246577900 972896186 /nfs/dbraw/zinc/89/61/86/972896186.db2.gz UMPXIAQDZSFRSS-HSBZDZAISA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1CN(C2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246577900 972896189 /nfs/dbraw/zinc/89/61/89/972896189.db2.gz UMPXIAQDZSFRSS-HSBZDZAISA-N 2 1 237.391 1.202 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC(F)(F)[C@H](N)C2)CC1 ZINC001246582905 972939976 /nfs/dbraw/zinc/93/99/76/972939976.db2.gz OSVDGHIDCDXHQX-VQXHTEKXSA-N 2 1 247.333 1.185 20 0 BDADMP CC1(C)CCC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)C1 ZINC001246586955 972981823 /nfs/dbraw/zinc/98/18/23/972981823.db2.gz UWFWWDCRMNCIBR-SRVKXCTJSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCc3cc(O)ccc3C2)CC[NH2+]1 ZINC001246694841 973090519 /nfs/dbraw/zinc/09/05/19/973090519.db2.gz XAWVEBRMVPRMEK-SMDDNHRTSA-N 2 1 246.354 1.891 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCc3cc(O)ccc3C2)CC[NH2+]1 ZINC001246694841 973090530 /nfs/dbraw/zinc/09/05/30/973090530.db2.gz XAWVEBRMVPRMEK-SMDDNHRTSA-N 2 1 246.354 1.891 20 0 BDADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)[C@H]1C ZINC001246825095 973118375 /nfs/dbraw/zinc/11/83/75/973118375.db2.gz UCJVQJKUDVHCJW-JQWIXIFHSA-N 2 1 240.347 1.012 20 0 BDADMP CC(C)[C@H]1COCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246835705 973131704 /nfs/dbraw/zinc/13/17/04/973131704.db2.gz LWXBNXFDFBNIKN-FRRDWIJNSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246835705 973131714 /nfs/dbraw/zinc/13/17/14/973131714.db2.gz LWXBNXFDFBNIKN-FRRDWIJNSA-N 2 1 226.364 1.484 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856514 973170552 /nfs/dbraw/zinc/17/05/52/973170552.db2.gz XMRJGNRZFYUJAY-SCRDCRAPSA-N 3 1 235.375 1.084 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246856514 973170559 /nfs/dbraw/zinc/17/05/59/973170559.db2.gz XMRJGNRZFYUJAY-SCRDCRAPSA-N 3 1 235.375 1.084 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860591 973179945 /nfs/dbraw/zinc/17/99/45/973179945.db2.gz NLBFDZWZWUHPHA-IPYPFGDCSA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860591 973179953 /nfs/dbraw/zinc/17/99/53/973179953.db2.gz NLBFDZWZWUHPHA-IPYPFGDCSA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@@H]1C[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246860591 973179965 /nfs/dbraw/zinc/17/99/65/973179965.db2.gz NLBFDZWZWUHPHA-IPYPFGDCSA-N 2 1 249.402 1.332 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC001246864165 973182919 /nfs/dbraw/zinc/18/29/19/973182919.db2.gz UOZZDIHPYSOAHC-ZFWWWQNUSA-N 2 1 228.339 1.577 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246874995 973269708 /nfs/dbraw/zinc/26/97/08/973269708.db2.gz XFLJCUNEICHGNB-UMVBOHGHSA-N 2 1 244.338 1.195 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3C[C@@]3([NH3+])C1)C2 ZINC001246874995 973269722 /nfs/dbraw/zinc/26/97/22/973269722.db2.gz XFLJCUNEICHGNB-UMVBOHGHSA-N 2 1 244.338 1.195 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246875725 973307757 /nfs/dbraw/zinc/30/77/57/973307757.db2.gz LIWMOJBHNZBWTM-RQICVUQASA-N 2 1 238.375 1.769 20 0 BDADMP C1[NH2+]CC12C[C@@H]([N@H+]1[C@H]3CC[C@@H]1CCC3)CCN2 ZINC001246883069 973326576 /nfs/dbraw/zinc/32/65/76/973326576.db2.gz ULSCAOZQWFNSQV-XQQFMLRXSA-N 2 1 235.375 1.097 20 0 BDADMP C[N@@H+](CCO)C1CC[NH+](C(C)(C)C)CC1 ZINC001246914014 973444193 /nfs/dbraw/zinc/44/41/93/973444193.db2.gz RUYMDNSXIJAOMJ-UHFFFAOYSA-N 2 1 214.353 1.173 20 0 BDADMP C1CC12CCC([N@@H+]1C[C@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246922706 973507492 /nfs/dbraw/zinc/50/74/92/973507492.db2.gz WPGATKCQSRVMRF-PWSUYJOCSA-N 2 1 206.333 1.613 20 0 BDADMP C1CC12CCC([N@H+]1C[C@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246922706 973507501 /nfs/dbraw/zinc/50/75/01/973507501.db2.gz WPGATKCQSRVMRF-PWSUYJOCSA-N 2 1 206.333 1.613 20 0 BDADMP C[NH+](C)CCCCO[C@H]1CCC[N@@H+](C)CC1 ZINC001224991780 974121598 /nfs/dbraw/zinc/12/15/98/974121598.db2.gz AWDTYOMJALNUCQ-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP C[NH+](C)CCCCO[C@H]1CC[N@@H+](C)C1 ZINC001224991982 974121899 /nfs/dbraw/zinc/12/18/99/974121899.db2.gz GVAZBJTZXALGDQ-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001206152797 974226831 /nfs/dbraw/zinc/22/68/31/974226831.db2.gz AWUXWEBDQYYLDZ-CHWSQXEVSA-N 2 1 238.306 1.653 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001206152797 974226842 /nfs/dbraw/zinc/22/68/42/974226842.db2.gz AWUXWEBDQYYLDZ-CHWSQXEVSA-N 2 1 238.306 1.653 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001206152800 974231360 /nfs/dbraw/zinc/23/13/60/974231360.db2.gz AWUXWEBDQYYLDZ-STQMWFEESA-N 2 1 238.306 1.653 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001206152800 974231378 /nfs/dbraw/zinc/23/13/78/974231378.db2.gz AWUXWEBDQYYLDZ-STQMWFEESA-N 2 1 238.306 1.653 20 0 BDADMP N[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1F ZINC001206154251 974325920 /nfs/dbraw/zinc/32/59/20/974325920.db2.gz HYYNFLXSIPWMKW-QJPTWQEYSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC[C@H]1F ZINC001206154251 974325932 /nfs/dbraw/zinc/32/59/32/974325932.db2.gz HYYNFLXSIPWMKW-QJPTWQEYSA-N 2 1 230.327 1.174 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1F ZINC001206154251 974325941 /nfs/dbraw/zinc/32/59/41/974325941.db2.gz HYYNFLXSIPWMKW-QJPTWQEYSA-N 2 1 230.327 1.174 20 0 BDADMP C[NH+](C)CCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099167 974338852 /nfs/dbraw/zinc/33/88/52/974338852.db2.gz GHGCLWDKUJIKTK-BTTYYORXSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)CO)C2 ZINC001172100607 974343757 /nfs/dbraw/zinc/34/37/57/974343757.db2.gz QKARKVZAELDKHO-XYYAHUGASA-N 2 1 240.391 1.610 20 0 BDADMP COC[C@H]1CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130080 974352392 /nfs/dbraw/zinc/35/23/92/974352392.db2.gz HAGCLHZMQYZXSS-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130080 974352401 /nfs/dbraw/zinc/35/24/01/974352401.db2.gz HAGCLHZMQYZXSS-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP COC[C@H]1CC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130080 974352406 /nfs/dbraw/zinc/35/24/06/974352406.db2.gz HAGCLHZMQYZXSS-RQJABVFESA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126880 974352738 /nfs/dbraw/zinc/35/27/38/974352738.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126880 974352746 /nfs/dbraw/zinc/35/27/46/974352746.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126880 974352755 /nfs/dbraw/zinc/35/27/55/974352755.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126880 974352760 /nfs/dbraw/zinc/35/27/60/974352760.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126880 974352771 /nfs/dbraw/zinc/35/27/71/974352771.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126880 974352783 /nfs/dbraw/zinc/35/27/83/974352783.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126880 974352792 /nfs/dbraw/zinc/35/27/92/974352792.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 2 1 249.402 1.390 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1COC1)C2 ZINC001172106015 974366889 /nfs/dbraw/zinc/36/68/89/974366889.db2.gz MHLYJLVTJFMCBD-BTTYYORXSA-N 2 1 238.375 1.628 20 0 BDADMP CC[N@@H+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172109304 974374657 /nfs/dbraw/zinc/37/46/57/974374657.db2.gz CHUNESZZCRSINR-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@H+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109304 974374670 /nfs/dbraw/zinc/37/46/70/974374670.db2.gz CHUNESZZCRSINR-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP CC[N@@H+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109304 974374677 /nfs/dbraw/zinc/37/46/77/974374677.db2.gz CHUNESZZCRSINR-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109304 974374686 /nfs/dbraw/zinc/37/46/86/974374686.db2.gz CHUNESZZCRSINR-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109304 974374696 /nfs/dbraw/zinc/37/46/96/974374696.db2.gz CHUNESZZCRSINR-BTTYYORXSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(C)([NH3+])C1)C2 ZINC001172108429 974375775 /nfs/dbraw/zinc/37/57/75/974375775.db2.gz ADWTVGDICCNATJ-GDNZZTSVSA-N 2 1 223.364 1.035 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001172111153 974377211 /nfs/dbraw/zinc/37/72/11/974377211.db2.gz SQTVJDHMGJWESQ-DBTFEGCXSA-N 2 1 236.359 1.236 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001172111153 974377216 /nfs/dbraw/zinc/37/72/16/974377216.db2.gz SQTVJDHMGJWESQ-DBTFEGCXSA-N 2 1 236.359 1.236 20 0 BDADMP CC[NH+]1CC(Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225330275 974404659 /nfs/dbraw/zinc/40/46/59/974404659.db2.gz DRXVVKHXQRWWHU-UHFFFAOYSA-N 2 1 234.343 1.831 20 0 BDADMP CCC[N@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172248952 974513498 /nfs/dbraw/zinc/51/34/98/974513498.db2.gz DHDNEMPNPHHJEA-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001172314800 974520915 /nfs/dbraw/zinc/52/09/15/974520915.db2.gz DUQPYLNNCMNPOA-SDDRHHMPSA-N 2 1 214.353 1.613 20 0 BDADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001172314800 974520921 /nfs/dbraw/zinc/52/09/21/974520921.db2.gz DUQPYLNNCMNPOA-SDDRHHMPSA-N 2 1 214.353 1.613 20 0 BDADMP C[NH+](C)CCC[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC001172278779 974535616 /nfs/dbraw/zinc/53/56/16/974535616.db2.gz AUOQKUURPPABHN-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC001172278779 974535621 /nfs/dbraw/zinc/53/56/21/974535621.db2.gz AUOQKUURPPABHN-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@H]2COC(C)(C)C2)CC1 ZINC001172287599 974551292 /nfs/dbraw/zinc/55/12/92/974551292.db2.gz YESFZKQBMFHLDV-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@H]2COC(C)(C)C2)CC1 ZINC001172287599 974551299 /nfs/dbraw/zinc/55/12/99/974551299.db2.gz YESFZKQBMFHLDV-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172287801 974551672 /nfs/dbraw/zinc/55/16/72/974551672.db2.gz CBBLXWJXTNMISP-TUAOUCFPSA-N 2 1 224.348 1.047 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCO)C[C@@H]1C ZINC001172365441 974641611 /nfs/dbraw/zinc/64/16/11/974641611.db2.gz BPQZXKJSYXUTJI-RDBSUJKOSA-N 2 1 242.407 1.715 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172434422 974723750 /nfs/dbraw/zinc/72/37/50/974723750.db2.gz WGTRSKQNEWMXMP-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC1(C)CC([N@@H+]2CC[C@H]([NH3+])C2)CC(C)(C)O1 ZINC001172643987 974892947 /nfs/dbraw/zinc/89/29/47/974892947.db2.gz IIWKUJIIUNOPND-JTQLQIEISA-N 2 1 226.364 1.756 20 0 BDADMP CC1(C)CC([N@H+]2CC[C@H]([NH3+])C2)CC(C)(C)O1 ZINC001172643987 974892953 /nfs/dbraw/zinc/89/29/53/974892953.db2.gz IIWKUJIIUNOPND-JTQLQIEISA-N 2 1 226.364 1.756 20 0 BDADMP [NH3+]CCN(CCO)C1CCC2(CCCC2)CC1 ZINC001172725059 974908721 /nfs/dbraw/zinc/90/87/21/974908721.db2.gz MMEYWRNAGWTQEI-UHFFFAOYSA-N 2 1 240.391 1.742 20 0 BDADMP [NH3+]CC[N@H+](CCO)C1CCC2(CCCC2)CC1 ZINC001172725059 974908728 /nfs/dbraw/zinc/90/87/28/974908728.db2.gz MMEYWRNAGWTQEI-UHFFFAOYSA-N 2 1 240.391 1.742 20 0 BDADMP [NH3+]CC[N@@H+](CCO)C1CCC2(CCCC2)CC1 ZINC001172725059 974908737 /nfs/dbraw/zinc/90/87/37/974908737.db2.gz MMEYWRNAGWTQEI-UHFFFAOYSA-N 2 1 240.391 1.742 20 0 BDADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(O)cc3)C[C@H]2C1 ZINC001204098575 974925202 /nfs/dbraw/zinc/92/52/02/974925202.db2.gz HREFUCBIOVEPSE-ZIAGYGMSSA-N 2 1 246.354 1.776 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)Cn1c(C)[nH+]c(C)c1C ZINC001332063496 974940326 /nfs/dbraw/zinc/94/03/26/974940326.db2.gz FYGPRYLBZKGWRD-GFCCVEGCSA-N 2 1 225.336 1.121 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC001172941972 975000332 /nfs/dbraw/zinc/00/03/32/975000332.db2.gz HJHSIPCQFSTRST-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC001172941972 975000339 /nfs/dbraw/zinc/00/03/39/975000339.db2.gz HJHSIPCQFSTRST-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC001172941972 975000344 /nfs/dbraw/zinc/00/03/44/975000344.db2.gz HJHSIPCQFSTRST-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001173168621 975060845 /nfs/dbraw/zinc/06/08/45/975060845.db2.gz RGZUYSPEHSGQBW-QJPTWQEYSA-N 2 1 212.337 1.095 20 0 BDADMP Nc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197251 975087454 /nfs/dbraw/zinc/08/74/54/975087454.db2.gz HBLDORQLXRWNNM-WCQYABFASA-N 2 1 237.322 1.530 20 0 BDADMP Nc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197251 975087462 /nfs/dbraw/zinc/08/74/62/975087462.db2.gz HBLDORQLXRWNNM-WCQYABFASA-N 2 1 237.322 1.530 20 0 BDADMP CCCN(CCC[NH3+])[C@@H]1CC[N@@H+](CC)C1 ZINC001173349549 975292958 /nfs/dbraw/zinc/29/29/58/975292958.db2.gz IEKDRJJGCHQDNA-GFCCVEGCSA-N 2 1 213.369 1.141 20 0 BDADMP CC[N@H+]1CC[C@@H](n2nnc3ccc(C[NH3+])cc32)C1 ZINC001173354999 975309389 /nfs/dbraw/zinc/30/93/89/975309389.db2.gz LYNWCKWCRGRHFL-LLVKDONJSA-N 2 1 245.330 1.157 20 0 BDADMP CC[N@H+]1CC[C@@H](NC(C)(C)CC[NH+](C)C)C1 ZINC001173355716 975309689 /nfs/dbraw/zinc/30/96/89/975309689.db2.gz UTKGWRGXSPEARF-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP CCN1CC[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)C1 ZINC001173355716 975309697 /nfs/dbraw/zinc/30/96/97/975309697.db2.gz UTKGWRGXSPEARF-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC001173362430 975337538 /nfs/dbraw/zinc/33/75/38/975337538.db2.gz HBQUPSOPLBNRDG-ZIAGYGMSSA-N 2 1 237.391 1.251 20 0 BDADMP CC[N@@H+]1CC[C@@H](N2CCC(C[NH+](C)C)CC2)C1 ZINC001173363535 975338558 /nfs/dbraw/zinc/33/85/58/975338558.db2.gz OSQZXKVUHRZIQM-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC(C[NH+](C)C)CC2)C1 ZINC001173363535 975338569 /nfs/dbraw/zinc/33/85/69/975338569.db2.gz OSQZXKVUHRZIQM-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC001333164012 975527974 /nfs/dbraw/zinc/52/79/74/975527974.db2.gz ZGZDMSOQPQRPBT-WDEREUQCSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC001333164012 975527981 /nfs/dbraw/zinc/52/79/81/975527981.db2.gz ZGZDMSOQPQRPBT-WDEREUQCSA-N 2 1 214.353 1.613 20 0 BDADMP CC[N@H+]1CCC[C@H](CNc2cc[nH+]cc2CO)C1 ZINC001333645280 975926831 /nfs/dbraw/zinc/92/68/31/975926831.db2.gz DSHWCLPJLMPSPF-GFCCVEGCSA-N 2 1 249.358 1.140 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@@H]2C1 ZINC001333891624 976146263 /nfs/dbraw/zinc/14/62/63/976146263.db2.gz MIIIYJYMBBJDKT-SGMGOOAPSA-N 2 1 249.358 1.837 20 0 BDADMP C[NH+](C)[C@H]1C[C@H]([NH2+]CC2(O)CCC2)C1(C)C ZINC001335520784 977113571 /nfs/dbraw/zinc/11/35/71/977113571.db2.gz VMDVKARDINQISE-QWRGUYRKSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@H](C)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070172 977253965 /nfs/dbraw/zinc/25/39/65/977253965.db2.gz LIJODDKFWIIBLA-JZRPKSSGSA-N 2 1 210.365 1.913 20 0 BDADMP CC[C@H](C)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070172 977253977 /nfs/dbraw/zinc/25/39/77/977253977.db2.gz LIJODDKFWIIBLA-JZRPKSSGSA-N 2 1 210.365 1.913 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H](O)C1CC1 ZINC001335930574 977369204 /nfs/dbraw/zinc/36/92/04/977369204.db2.gz VEDGFGRYZUBFKH-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP COC(C)(C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277584450 977794654 /nfs/dbraw/zinc/79/46/54/977794654.db2.gz JMEMUVPCECYVGP-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP COC(C)(C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277584450 977794662 /nfs/dbraw/zinc/79/46/62/977794662.db2.gz JMEMUVPCECYVGP-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP COC(C)(C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277584450 977794670 /nfs/dbraw/zinc/79/46/70/977794670.db2.gz JMEMUVPCECYVGP-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNc2nccnc2C[NH3+])C1 ZINC001337009085 978125905 /nfs/dbraw/zinc/12/59/05/978125905.db2.gz LTCJRNAIXWRFJT-LLVKDONJSA-N 2 1 249.362 1.078 20 0 BDADMP CCC[N@H+](CC)C[C@@H](C)Nc1cc(N)[nH+]cn1 ZINC001337179887 978202869 /nfs/dbraw/zinc/20/28/69/978202869.db2.gz VWSLIQKXHNCCRW-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(N)[nH+]cn1 ZINC001337179887 978202873 /nfs/dbraw/zinc/20/28/73/978202873.db2.gz VWSLIQKXHNCCRW-SNVBAGLBSA-N 2 1 237.351 1.591 20 0 BDADMP C[NH+](C)CCCO[C@H]1CCC[N@@H+](C)CC1 ZINC001206288238 978268138 /nfs/dbraw/zinc/26/81/38/978268138.db2.gz WZFCOZWETKFDGS-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[N@@H+]1CC[C@@H](N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000328331391 978291740 /nfs/dbraw/zinc/29/17/40/978291740.db2.gz HQGJAJUYYXNUCC-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000328331391 978291754 /nfs/dbraw/zinc/29/17/54/978291754.db2.gz HQGJAJUYYXNUCC-QWHCGFSZSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC001206297526 978315289 /nfs/dbraw/zinc/31/52/89/978315289.db2.gz YTJRDHZEMUPKGW-ZIAGYGMSSA-N 2 1 240.391 1.864 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296842 978317021 /nfs/dbraw/zinc/31/70/21/978317021.db2.gz VDLWSZFLWOYSDM-CQSZACIVSA-N 2 1 235.375 1.976 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206308660 978409683 /nfs/dbraw/zinc/40/96/83/978409683.db2.gz FWSSOSBKDXGXEN-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP O[C@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001337665614 978449053 /nfs/dbraw/zinc/44/90/53/978449053.db2.gz TXHFQRTZBWBKND-AWEZNQCLSA-N 2 1 247.342 1.117 20 0 BDADMP CC[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]cc1 ZINC001337682614 978458250 /nfs/dbraw/zinc/45/82/50/978458250.db2.gz NCCILWUCKKSNGL-CYBMUJFWSA-N 2 1 235.331 1.026 20 0 BDADMP CC[C@@H]1COCC[N@H+]1CCNc1cc[nH+]cc1 ZINC001337682614 978458260 /nfs/dbraw/zinc/45/82/60/978458260.db2.gz NCCILWUCKKSNGL-CYBMUJFWSA-N 2 1 235.331 1.026 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001337804650 978504620 /nfs/dbraw/zinc/50/46/20/978504620.db2.gz DUMCAFIEBWQIAM-GFCCVEGCSA-N 2 1 236.746 1.888 20 0 BDADMP OCc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC001337804438 978504919 /nfs/dbraw/zinc/50/49/19/978504919.db2.gz DIBKUZNWBVDHKH-KGLIPLIRSA-N 2 1 247.342 1.613 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(N)n2)CC1 ZINC001206317875 978516788 /nfs/dbraw/zinc/51/67/88/978516788.db2.gz KENHCPKYHBLFKM-CQSZACIVSA-N 2 1 248.374 1.615 20 0 BDADMP C[C@@H](C[NH+](C)C)Oc1ccc2[nH+]ccn2c1 ZINC001233749683 978688591 /nfs/dbraw/zinc/68/85/91/978688591.db2.gz WKRVHNVEAHZPBE-JTQLQIEISA-N 2 1 219.288 1.663 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001338548916 978704104 /nfs/dbraw/zinc/70/41/04/978704104.db2.gz DVEXRBVXQBZJHL-HZSPNIEDSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001338548916 978704107 /nfs/dbraw/zinc/70/41/07/978704107.db2.gz DVEXRBVXQBZJHL-HZSPNIEDSA-N 2 1 238.375 1.220 20 0 BDADMP CCc1[nH]c(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(C)[nH+]1 ZINC001206404522 978784567 /nfs/dbraw/zinc/78/45/67/978784567.db2.gz LTPRPEUXQKRICT-UWVGGRQHSA-N 2 1 240.326 1.152 20 0 BDADMP CCC(CC)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234981885 978943429 /nfs/dbraw/zinc/94/34/29/978943429.db2.gz PNVNYOCABKOIFM-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccccn3)[C@@H]2C1 ZINC001339999995 978955343 /nfs/dbraw/zinc/95/53/43/978955343.db2.gz QZQDOGVFCHIOST-QJPTWQEYSA-N 2 1 217.316 1.834 20 0 BDADMP OCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041447 978958939 /nfs/dbraw/zinc/95/89/39/978958939.db2.gz QIKUSFZRZWPUCS-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP C[C@H](N)C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151322 978982011 /nfs/dbraw/zinc/98/20/11/978982011.db2.gz GEIBBWIYYJAJNH-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151322 978982015 /nfs/dbraw/zinc/98/20/15/978982015.db2.gz GEIBBWIYYJAJNH-WCQYABFASA-N 2 1 225.380 1.188 20 0 BDADMP CC1(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCOCC1 ZINC001235166796 978987126 /nfs/dbraw/zinc/98/71/26/978987126.db2.gz VXPCILFDEXMSHF-WCQYABFASA-N 2 1 224.348 1.226 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)O1 ZINC001235224328 979001008 /nfs/dbraw/zinc/00/10/08/979001008.db2.gz JCSPDJDCQPZTJP-XQQFMLRXSA-N 2 1 238.375 1.833 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)O1 ZINC001235224328 979001012 /nfs/dbraw/zinc/00/10/12/979001012.db2.gz JCSPDJDCQPZTJP-XQQFMLRXSA-N 2 1 238.375 1.833 20 0 BDADMP CC(C)[C@@H]1CNCC[N@H+]1CCCCC[NH3+] ZINC001235452578 979050178 /nfs/dbraw/zinc/05/01/78/979050178.db2.gz HOYSXSIXNGPIHX-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP CC(C)[C@@H]1C[NH2+]CCN1CCCCC[NH3+] ZINC001235452578 979050182 /nfs/dbraw/zinc/05/01/82/979050182.db2.gz HOYSXSIXNGPIHX-LBPRGKRZSA-N 2 1 213.369 1.045 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3CC[NH3+])o1 ZINC001235491899 979055212 /nfs/dbraw/zinc/05/52/12/979055212.db2.gz SDHPHXFRLFOMGD-KGLIPLIRSA-N 2 1 249.358 1.195 20 0 BDADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCCO)CC1 ZINC001235673520 979112047 /nfs/dbraw/zinc/11/20/47/979112047.db2.gz BOZRVQJWFMUUEF-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H](C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)c1ccccc1 ZINC001206454237 979132513 /nfs/dbraw/zinc/13/25/13/979132513.db2.gz CKTICMCSWGAUAK-KWCYVHTRSA-N 2 1 234.343 1.042 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001235728093 979134641 /nfs/dbraw/zinc/13/46/41/979134641.db2.gz YYJOQMUEWMREFQ-LBPRGKRZSA-N 3 1 239.407 1.387 20 0 BDADMP CC[C@@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001235769248 979144442 /nfs/dbraw/zinc/14/44/42/979144442.db2.gz PGBFYUFBTWPGEZ-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC001235827842 979152820 /nfs/dbraw/zinc/15/28/20/979152820.db2.gz RCPBRFOTBHPJSM-VHSXEESVSA-N 2 1 200.326 1.223 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001235990810 979280645 /nfs/dbraw/zinc/28/06/45/979280645.db2.gz CZUFXHMXIIIHSS-UNXYVOJBSA-N 2 1 214.328 1.938 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001235990810 979280658 /nfs/dbraw/zinc/28/06/58/979280658.db2.gz CZUFXHMXIIIHSS-UNXYVOJBSA-N 2 1 214.328 1.938 20 0 BDADMP CC[N@H+](CC1(C)CC[NH2+]CC1)[C@H]1CCCNC1 ZINC001236005344 979289436 /nfs/dbraw/zinc/28/94/36/979289436.db2.gz LDPVONVUFUZZPY-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CC1(C)CC[NH2+]CC1)[C@H]1CCCNC1 ZINC001236005344 979289443 /nfs/dbraw/zinc/28/94/43/979289443.db2.gz LDPVONVUFUZZPY-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@H+](CCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236007341 979296759 /nfs/dbraw/zinc/29/67/59/979296759.db2.gz YECUCXGSLNPHPY-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP CC[N@@H+](CCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236007341 979296776 /nfs/dbraw/zinc/29/67/76/979296776.db2.gz YECUCXGSLNPHPY-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP CC/C=C\CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC001236082738 979367323 /nfs/dbraw/zinc/36/73/23/979367323.db2.gz NABBEJDTPXAMOL-PLNGDYQASA-N 2 1 239.407 1.570 20 0 BDADMP CCCC[C@@H]1C[N@H+](CCCCCC[NH3+])CCN1 ZINC001236134535 979403263 /nfs/dbraw/zinc/40/32/63/979403263.db2.gz FNMAERXELGYGMU-CQSZACIVSA-N 2 1 241.423 1.970 20 0 BDADMP CCCC[C@@H]1C[N@@H+](CCCCCC[NH3+])CCN1 ZINC001236134535 979403266 /nfs/dbraw/zinc/40/32/66/979403266.db2.gz FNMAERXELGYGMU-CQSZACIVSA-N 2 1 241.423 1.970 20 0 BDADMP C[N@@H+](CCCC[NH3+])C[C@@H]1Cc2ccccc2CN1 ZINC001236142032 979408249 /nfs/dbraw/zinc/40/82/49/979408249.db2.gz NUEGHVZOOGZGFL-HNNXBMFYSA-N 2 1 247.386 1.372 20 0 BDADMP CN(CCCC[NH3+])C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001236142032 979408252 /nfs/dbraw/zinc/40/82/52/979408252.db2.gz NUEGHVZOOGZGFL-HNNXBMFYSA-N 2 1 247.386 1.372 20 0 BDADMP C[N@H+](CCCCC[NH3+])[C@]1(C)CCCNC1 ZINC001236201249 979450440 /nfs/dbraw/zinc/45/04/40/979450440.db2.gz LIEDPZIGCYUDOG-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP C[N@@H+](CCCCC[NH3+])[C@]1(C)CCCNC1 ZINC001236201249 979450445 /nfs/dbraw/zinc/45/04/45/979450445.db2.gz LIEDPZIGCYUDOG-GFCCVEGCSA-N 2 1 213.369 1.189 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236242619 979462560 /nfs/dbraw/zinc/46/25/60/979462560.db2.gz BJANSSUDMOYQDT-GFCCVEGCSA-N 2 1 242.363 1.531 20 0 BDADMP CC(=O)OC(C)(C)CCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236242619 979462566 /nfs/dbraw/zinc/46/25/66/979462566.db2.gz BJANSSUDMOYQDT-GFCCVEGCSA-N 2 1 242.363 1.531 20 0 BDADMP COc1cc[nH+]c(Nc2cc[nH+]c(N)c2)c1 ZINC001206522068 979553706 /nfs/dbraw/zinc/55/37/06/979553706.db2.gz IHHULLZMEKXTKZ-UHFFFAOYSA-N 2 1 216.244 1.811 20 0 BDADMP C[C@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001236422962 979592845 /nfs/dbraw/zinc/59/28/45/979592845.db2.gz KKZZKZYJTKNWOP-RWMBFGLXSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)C[N@@H+](CCCCC[NH3+])[C@@H]1CCCNC1 ZINC001236475228 979603618 /nfs/dbraw/zinc/60/36/18/979603618.db2.gz XIJFFPCEQUHSNV-CQSZACIVSA-N 2 1 241.423 1.825 20 0 BDADMP CC(C)CN(CCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001236475228 979603624 /nfs/dbraw/zinc/60/36/24/979603624.db2.gz XIJFFPCEQUHSNV-CQSZACIVSA-N 2 1 241.423 1.825 20 0 BDADMP CCC1(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)COC1 ZINC001206540454 979621859 /nfs/dbraw/zinc/62/18/59/979621859.db2.gz BROFCVAJZALSJR-CYBMUJFWSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@H]1CN(Cc2[nH+]cc3ccccn32)C[C@H](C)[NH2+]1 ZINC001236575472 979642457 /nfs/dbraw/zinc/64/24/57/979642457.db2.gz NNPPDMCRZYPQLV-RYUDHWBXSA-N 2 1 244.342 1.517 20 0 BDADMP C[C@H]1C[NH+](CC2(C)CC[NH+](C)CC2)C[C@H](C)N1 ZINC001236576137 979648544 /nfs/dbraw/zinc/64/85/44/979648544.db2.gz BVNGAZKYZGJDGE-STQMWFEESA-N 2 1 239.407 1.401 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCCCO)C1 ZINC001206542167 979653349 /nfs/dbraw/zinc/65/33/49/979653349.db2.gz TXNMPMXNGNYSMH-GFCCVEGCSA-N 2 1 214.353 1.210 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc[nH]c2=O)C1 ZINC001206549652 979700678 /nfs/dbraw/zinc/70/06/78/979700678.db2.gz POFZAENXFPLJFV-AWEZNQCLSA-N 2 1 249.358 1.738 20 0 BDADMP CC[C@H](N)C[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236859342 979765966 /nfs/dbraw/zinc/76/59/66/979765966.db2.gz JUCCOYOEOJOXKL-ZDUSSCGKSA-N 2 1 239.407 1.435 20 0 BDADMP CC[C@H]([NH3+])CN(C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236859342 979765970 /nfs/dbraw/zinc/76/59/70/979765970.db2.gz JUCCOYOEOJOXKL-ZDUSSCGKSA-N 2 1 239.407 1.435 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001236912179 979789878 /nfs/dbraw/zinc/78/98/78/979789878.db2.gz LNUGKQHTLMNWAG-UHFFFAOYSA-N 2 1 246.358 1.451 20 0 BDADMP NC[C@@H]1Cc2ccccc2C[N@@H+]1CCCC[NH3+] ZINC001237020097 979804251 /nfs/dbraw/zinc/80/42/51/979804251.db2.gz MYYXJUFVXUWRLU-AWEZNQCLSA-N 2 1 233.359 1.111 20 0 BDADMP NC[C@@H]1Cc2ccccc2C[N@H+]1CCCC[NH3+] ZINC001237020097 979804254 /nfs/dbraw/zinc/80/42/54/979804254.db2.gz MYYXJUFVXUWRLU-AWEZNQCLSA-N 2 1 233.359 1.111 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001205264278 979810638 /nfs/dbraw/zinc/81/06/38/979810638.db2.gz IUIKZSFGSJUBCZ-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccncc2O)CC1 ZINC001205274133 979844474 /nfs/dbraw/zinc/84/44/74/979844474.db2.gz UJUMPNXGQKAEKO-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccncc2O)CC1 ZINC001205274133 979844481 /nfs/dbraw/zinc/84/44/81/979844481.db2.gz UJUMPNXGQKAEKO-ZDUSSCGKSA-N 2 1 235.331 1.491 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237221356 979852179 /nfs/dbraw/zinc/85/21/79/979852179.db2.gz VLEYRHJUWKQXEN-CYBMUJFWSA-N 2 1 223.364 1.457 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N)nc2)CC1 ZINC001205280530 979867054 /nfs/dbraw/zinc/86/70/54/979867054.db2.gz BPDFXEAXLZVFSZ-ZDUSSCGKSA-N 2 1 234.347 1.367 20 0 BDADMP COCOCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382679 979878927 /nfs/dbraw/zinc/87/89/27/979878927.db2.gz MQLUFTOJYLTRSW-CHWSQXEVSA-N 2 1 242.363 1.071 20 0 BDADMP COCOCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382679 979878930 /nfs/dbraw/zinc/87/89/30/979878930.db2.gz MQLUFTOJYLTRSW-CHWSQXEVSA-N 2 1 242.363 1.071 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)nc1 ZINC001205281044 979882395 /nfs/dbraw/zinc/88/23/95/979882395.db2.gz OOGWVEYWGORALL-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)nc1 ZINC001205281044 979882396 /nfs/dbraw/zinc/88/23/96/979882396.db2.gz OOGWVEYWGORALL-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP CCn1cncc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001237590940 979947416 /nfs/dbraw/zinc/94/74/16/979947416.db2.gz DDZRPXJGAVXTLA-OLZOCXBDSA-N 2 1 248.374 1.287 20 0 BDADMP CCn1cncc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001237590940 979947423 /nfs/dbraw/zinc/94/74/23/979947423.db2.gz DDZRPXJGAVXTLA-OLZOCXBDSA-N 2 1 248.374 1.287 20 0 BDADMP CCn1cncc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001237590940 979947428 /nfs/dbraw/zinc/94/74/28/979947428.db2.gz DDZRPXJGAVXTLA-OLZOCXBDSA-N 2 1 248.374 1.287 20 0 BDADMP CCn1cncc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001237590940 979947443 /nfs/dbraw/zinc/94/74/43/979947443.db2.gz DDZRPXJGAVXTLA-OLZOCXBDSA-N 2 1 248.374 1.287 20 0 BDADMP Cc1coc(C[NH+]2CCC3(C[NH+](C)C3)CC2)n1 ZINC001237641869 979995779 /nfs/dbraw/zinc/99/57/79/979995779.db2.gz FQJTYHWFTKQAII-UHFFFAOYSA-N 2 1 235.331 1.511 20 0 BDADMP CC(C)[N@H+](CCCO)Cc1cccc2c[nH+]cn21 ZINC001238113950 980161894 /nfs/dbraw/zinc/16/18/94/980161894.db2.gz OPXYXVSGUPPNNK-UHFFFAOYSA-N 2 1 247.342 1.927 20 0 BDADMP CC(C)[N@@H+](CCCO)Cc1cccc2c[nH+]cn21 ZINC001238113950 980161902 /nfs/dbraw/zinc/16/19/02/980161902.db2.gz OPXYXVSGUPPNNK-UHFFFAOYSA-N 2 1 247.342 1.927 20 0 BDADMP COc1c(C)c[nH+]c(CN2CC([NH+](C)C)C2)c1C ZINC001238173123 980207552 /nfs/dbraw/zinc/20/75/52/980207552.db2.gz TWWVIHCOTXYXQC-UHFFFAOYSA-N 2 1 249.358 1.453 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)n1 ZINC001205546056 980955116 /nfs/dbraw/zinc/95/51/16/980955116.db2.gz PTSABSFZDVQVDL-LBPRGKRZSA-N 2 1 240.326 1.073 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001192387965 981152860 /nfs/dbraw/zinc/15/28/60/981152860.db2.gz CVOHSAMZISQGQI-MNOVXSKESA-N 2 1 241.285 1.779 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001192387965 981152863 /nfs/dbraw/zinc/15/28/63/981152863.db2.gz CVOHSAMZISQGQI-MNOVXSKESA-N 2 1 241.285 1.779 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@H]2CCC=CO2)C1 ZINC001205802988 982552211 /nfs/dbraw/zinc/55/22/11/982552211.db2.gz DSKHQGXZCBURJH-FRRDWIJNSA-N 2 1 224.348 1.738 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001205802988 982552220 /nfs/dbraw/zinc/55/22/20/982552220.db2.gz DSKHQGXZCBURJH-FRRDWIJNSA-N 2 1 224.348 1.738 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001205804281 982561903 /nfs/dbraw/zinc/56/19/03/982561903.db2.gz MLZBHJANFDWGIA-OLZOCXBDSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])N(CC2(C)CC[NH2+]CC2)C1 ZINC001205804281 982561910 /nfs/dbraw/zinc/56/19/10/982561910.db2.gz MLZBHJANFDWGIA-OLZOCXBDSA-N 2 1 239.407 1.435 20 0 BDADMP COC1(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCC1 ZINC001352874602 982613857 /nfs/dbraw/zinc/61/38/57/982613857.db2.gz ANBLYCBXZHVBBS-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001205832103 982683647 /nfs/dbraw/zinc/68/36/47/982683647.db2.gz ZMRLZEYZEIPNSF-DOMZBBRYSA-N 2 1 247.386 1.705 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC001205832103 982683669 /nfs/dbraw/zinc/68/36/69/982683669.db2.gz ZMRLZEYZEIPNSF-DOMZBBRYSA-N 2 1 247.386 1.705 20 0 BDADMP C[N@H+]1CCC=C(c2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001241571125 982824658 /nfs/dbraw/zinc/82/46/58/982824658.db2.gz TXPHXIQJEWFHJO-UHFFFAOYSA-N 2 1 228.299 1.864 20 0 BDADMP C[N@@H+]1CCC=C(c2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001241571125 982824660 /nfs/dbraw/zinc/82/46/60/982824660.db2.gz TXPHXIQJEWFHJO-UHFFFAOYSA-N 2 1 228.299 1.864 20 0 BDADMP C[N@H+]1CCC=C(c2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001241571125 982824661 /nfs/dbraw/zinc/82/46/61/982824661.db2.gz TXPHXIQJEWFHJO-UHFFFAOYSA-N 2 1 228.299 1.864 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001354232814 983213548 /nfs/dbraw/zinc/21/35/48/983213548.db2.gz BZLPDUDJJCPXHK-RVMXOQNASA-N 3 1 237.391 1.363 20 0 BDADMP CC[C@H](C)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001201513922 983276270 /nfs/dbraw/zinc/27/62/70/983276270.db2.gz CXPFXBTXNDXJRA-ZDUSSCGKSA-N 2 1 227.396 1.212 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]2C1 ZINC001355374931 983481722 /nfs/dbraw/zinc/48/17/22/983481722.db2.gz WCNKMRYJLALQRJ-SGMGOOAPSA-N 2 1 248.374 1.572 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1C1CC1 ZINC001356082647 983568267 /nfs/dbraw/zinc/56/82/67/983568267.db2.gz ARNHENCUMXXDBM-DGCLKSJQSA-N 2 1 248.374 1.825 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2coc3ccccc23)C[C@H]1O ZINC001205959962 983870732 /nfs/dbraw/zinc/87/07/32/983870732.db2.gz VUCKAQRFDDSUJL-CHWSQXEVSA-N 2 1 246.310 1.327 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2coc3ccccc23)C[C@H]1O ZINC001205959962 983870734 /nfs/dbraw/zinc/87/07/34/983870734.db2.gz VUCKAQRFDDSUJL-CHWSQXEVSA-N 2 1 246.310 1.327 20 0 BDADMP CCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001252802737 983898233 /nfs/dbraw/zinc/89/82/33/983898233.db2.gz KUXNDSLVNTYUDD-YIYPIFLZSA-N 2 1 240.391 1.752 20 0 BDADMP C([C@@H]1CCOC1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001202540763 983921261 /nfs/dbraw/zinc/92/12/61/983921261.db2.gz LWVCGDBOBPKIJZ-LBPRGKRZSA-N 2 1 224.348 1.193 20 0 BDADMP C[C@@H](O)CCC[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001576272340 984163310 /nfs/dbraw/zinc/16/33/10/984163310.db2.gz LPSXYJCWIFEXQR-VOMCLLRMSA-N 2 1 212.337 1.103 20 0 BDADMP C[C@@H](O)CCC[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576272340 984163313 /nfs/dbraw/zinc/16/33/13/984163313.db2.gz LPSXYJCWIFEXQR-VOMCLLRMSA-N 2 1 212.337 1.103 20 0 BDADMP C[C@@H](O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001576269230 984165781 /nfs/dbraw/zinc/16/57/81/984165781.db2.gz NROIECFBRJLLSK-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC001576809494 984184089 /nfs/dbraw/zinc/18/40/89/984184089.db2.gz ZYOZBCCBJUEEOG-YPMHNXCESA-N 2 1 248.374 1.317 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC001576809494 984184092 /nfs/dbraw/zinc/18/40/92/984184092.db2.gz ZYOZBCCBJUEEOG-YPMHNXCESA-N 2 1 248.374 1.317 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001578638952 984214277 /nfs/dbraw/zinc/21/42/77/984214277.db2.gz ZXSGTFWHINOZSH-BJDJZHNGSA-N 2 1 224.348 1.142 20 0 BDADMP CC[N@@H+](C1CCOCC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000716444049 984367539 /nfs/dbraw/zinc/36/75/39/984367539.db2.gz TULYSDCXXGUVLI-DGCLKSJQSA-N 2 1 226.364 1.628 20 0 BDADMP CCC[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001275108241 984489166 /nfs/dbraw/zinc/48/91/66/984489166.db2.gz NTVPUTBHRZCBPX-UHFFFAOYSA-N 2 1 239.407 1.356 20 0 BDADMP CC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275309514 984534206 /nfs/dbraw/zinc/53/42/06/984534206.db2.gz APXUGHPEMYQBQY-NSHDSACASA-N 2 1 243.395 1.079 20 0 BDADMP CC[N@@H+](CCc1ccccc1)C[C@@]1(O)CC[NH2+]C1 ZINC001577728753 984684368 /nfs/dbraw/zinc/68/43/68/984684368.db2.gz OFTCHWMFXHVUNT-OAHLLOKOSA-N 2 1 248.370 1.275 20 0 BDADMP CC[N@@H+](CCSC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577728759 984684802 /nfs/dbraw/zinc/68/48/02/984684802.db2.gz OQTIQQKEYQJRKN-WDEREUQCSA-N 2 1 216.394 1.799 20 0 BDADMP CC[N@@H+](CCc1ccccc1)C[C@H](O)CC[NH3+] ZINC001577728590 984691587 /nfs/dbraw/zinc/69/15/87/984691587.db2.gz HQQIWRIYWKENGG-CQSZACIVSA-N 2 1 236.359 1.261 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@H](CC[NH3+])C(F)F)C1 ZINC001577771064 984786436 /nfs/dbraw/zinc/78/64/36/984786436.db2.gz RLAKUXPHCNVXPS-NXEZZACHSA-N 2 1 235.322 1.043 20 0 BDADMP C[N@@H+]1C[C@H]2C[C@@H](C1)N2CCC[NH+]1CCCCC1 ZINC001276047741 984808241 /nfs/dbraw/zinc/80/82/41/984808241.db2.gz VPWPONSIKJOWHA-OKILXGFUSA-N 2 1 237.391 1.251 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+]C[C@@]1(C)CCCCO1 ZINC001577887147 984815068 /nfs/dbraw/zinc/81/50/68/984815068.db2.gz OFOVIEXZTCRBSA-VXGBXAGGSA-N 2 1 214.353 1.533 20 0 BDADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001577908612 984818504 /nfs/dbraw/zinc/81/85/04/984818504.db2.gz NEYZWUNABKUBLC-USZNOCQGSA-N 2 1 242.363 1.304 20 0 BDADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001257034655 984846839 /nfs/dbraw/zinc/84/68/39/984846839.db2.gz XSBCYLKHYPCFGZ-VHSXEESVSA-N 2 1 228.336 1.045 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])[C@H]1OC ZINC001578148907 984854853 /nfs/dbraw/zinc/85/48/53/984854853.db2.gz NQBGFSOIQYGMRQ-UJPOAAIJSA-N 2 1 242.363 1.038 20 0 BDADMP CCc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001578259975 984900395 /nfs/dbraw/zinc/90/03/95/984900395.db2.gz UWXHRBNPZGQPFL-KBPBESRZSA-N 2 1 234.343 1.061 20 0 BDADMP CCc1ccc2c(c1)C[N@H+](C[C@H](O)CC[NH3+])CC2 ZINC001578263641 984918086 /nfs/dbraw/zinc/91/80/86/984918086.db2.gz RFIOVTNQSJPCDO-OAHLLOKOSA-N 2 1 248.370 1.317 20 0 BDADMP CCn1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)n1 ZINC001578350283 984986234 /nfs/dbraw/zinc/98/62/34/984986234.db2.gz KJGCRGXAXGLJDJ-UHFFFAOYSA-N 2 1 236.363 1.334 20 0 BDADMP CCn1cnc(Cl)c1C[NH2+]C[C@H](C)C[NH3+] ZINC001578357287 985000697 /nfs/dbraw/zinc/00/06/97/985000697.db2.gz RHWSDCCUCYQDCU-MRVPVSSYSA-N 2 1 230.743 1.241 20 0 BDADMP C[N@H+](C[C@H]1CC2(CCC2)CO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578448355 985083376 /nfs/dbraw/zinc/08/33/76/985083376.db2.gz PSVDACSXPYPNTB-NDBYEHHHSA-N 2 1 236.359 1.095 20 0 BDADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578448355 985083398 /nfs/dbraw/zinc/08/33/98/985083398.db2.gz PSVDACSXPYPNTB-NDBYEHHHSA-N 2 1 236.359 1.095 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578463933 985099981 /nfs/dbraw/zinc/09/99/81/985099981.db2.gz ULNPIBKNJDZXMU-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+](CC[NH3+])CCCCOC(C)(C)C ZINC001578471004 985103573 /nfs/dbraw/zinc/10/35/73/985103573.db2.gz LRZVVQJRMBCFOP-UHFFFAOYSA-N 2 1 202.342 1.472 20 0 BDADMP C[N@@H+](CC[NH3+])CCCCOC(C)(C)C ZINC001578471004 985103586 /nfs/dbraw/zinc/10/35/86/985103586.db2.gz LRZVVQJRMBCFOP-UHFFFAOYSA-N 2 1 202.342 1.472 20 0 BDADMP C[NH+]1CCC(CN[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001578525125 985146611 /nfs/dbraw/zinc/14/66/11/985146611.db2.gz RCRZWJRPYQDDSM-KGLIPLIRSA-N 2 1 237.391 1.202 20 0 BDADMP C[N@H+]1CCC[C@@H]1CNC[C@@H]([NH3+])CCC(C)(C)C ZINC001578530215 985155564 /nfs/dbraw/zinc/15/55/64/985155564.db2.gz BYYRSXQVFYJPDR-QWHCGFSZSA-N 2 1 241.423 1.824 20 0 BDADMP C[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529425 985157660 /nfs/dbraw/zinc/15/76/60/985157660.db2.gz UUPUDWXIZNSHAS-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP C[N@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529425 985157667 /nfs/dbraw/zinc/15/76/67/985157667.db2.gz UUPUDWXIZNSHAS-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001578529050 985157807 /nfs/dbraw/zinc/15/78/07/985157807.db2.gz PGBAEYKBQYTTGT-ZIHBUVQPSA-N 3 1 237.391 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H](C[NH3+])C1CCCCC1 ZINC001578530820 985168416 /nfs/dbraw/zinc/16/84/16/985168416.db2.gz SGOCKUDCRAZNRO-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC001578637748 985247869 /nfs/dbraw/zinc/24/78/69/985247869.db2.gz CWUXHQKHNFZWLK-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC001578652174 985256253 /nfs/dbraw/zinc/25/62/53/985256253.db2.gz FWYVCEYMVVEWSW-AGIUHOORSA-N 2 1 228.380 1.325 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@@H+](C)CC1CCCCCC1 ZINC001578651982 985264411 /nfs/dbraw/zinc/26/44/11/985264411.db2.gz CGNRRPLPXVMPGE-CYBMUJFWSA-N 2 1 228.380 1.469 20 0 BDADMP C[NH2+]CC[C@@H]1CCCC[N@H+]1C[C@@H](O)CSC ZINC001578677184 985291806 /nfs/dbraw/zinc/29/18/06/985291806.db2.gz YNGPPRDAFJNLIQ-NWDGAFQWSA-N 2 1 246.420 1.174 20 0 BDADMP CNc1ccc(C)cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC001578756986 985328536 /nfs/dbraw/zinc/32/85/36/985328536.db2.gz FXSHNVYXFCALMW-UHFFFAOYSA-N 2 1 233.359 1.958 20 0 BDADMP COC(=O)C1([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCCC1 ZINC001578780342 985341703 /nfs/dbraw/zinc/34/17/03/985341703.db2.gz CCZCCKRUDDCDJJ-WDEREUQCSA-N 2 1 240.347 1.189 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000687796682 985385497 /nfs/dbraw/zinc/38/54/97/985385497.db2.gz KCWFDBRLWWFXMX-ZDUSSCGKSA-N 2 1 228.380 1.423 20 0 BDADMP O[C@H](CN1CCCC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000687820166 985398739 /nfs/dbraw/zinc/39/87/39/985398739.db2.gz YWXJGZNDCVABDB-ZIAGYGMSSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000687820166 985398753 /nfs/dbraw/zinc/39/87/53/985398753.db2.gz YWXJGZNDCVABDB-ZIAGYGMSSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000687820166 985398766 /nfs/dbraw/zinc/39/87/66/985398766.db2.gz YWXJGZNDCVABDB-ZIAGYGMSSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000687820165 985400480 /nfs/dbraw/zinc/40/04/80/985400480.db2.gz YWXJGZNDCVABDB-UONOGXRCSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000687820165 985400489 /nfs/dbraw/zinc/40/04/89/985400489.db2.gz YWXJGZNDCVABDB-UONOGXRCSA-N 2 1 238.375 1.318 20 0 BDADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000687820165 985400498 /nfs/dbraw/zinc/40/04/98/985400498.db2.gz YWXJGZNDCVABDB-UONOGXRCSA-N 2 1 238.375 1.318 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001578896056 985458784 /nfs/dbraw/zinc/45/87/84/985458784.db2.gz IHJUORSLTDXVGI-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC001578908635 985504045 /nfs/dbraw/zinc/50/40/45/985504045.db2.gz BTZUPFODQLBBJK-XQQFMLRXSA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC001578908635 985504062 /nfs/dbraw/zinc/50/40/62/985504062.db2.gz BTZUPFODQLBBJK-XQQFMLRXSA-N 2 1 224.348 1.225 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC001578970095 985601635 /nfs/dbraw/zinc/60/16/35/985601635.db2.gz KHERNXCMCMLQPT-SNPRPXQTSA-N 2 1 248.370 1.819 20 0 BDADMP COCC[C@@H]([NH3+])C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001579002722 985654847 /nfs/dbraw/zinc/65/48/47/985654847.db2.gz SWWDGERBSQPFRU-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP COCC[C@@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001579002722 985654856 /nfs/dbraw/zinc/65/48/56/985654856.db2.gz SWWDGERBSQPFRU-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP COCC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1 ZINC001579004982 985669337 /nfs/dbraw/zinc/66/93/37/985669337.db2.gz ZEVFKUBYJMPETI-GFCCVEGCSA-N 2 1 238.331 1.149 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC001579114297 985746572 /nfs/dbraw/zinc/74/65/72/985746572.db2.gz KUJQYCCKEZYKNT-IRCOFANPSA-N 2 1 212.337 1.142 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001579113982 985749976 /nfs/dbraw/zinc/74/99/76/985749976.db2.gz CTVJBKSUGOTLSL-DDHJBXDOSA-N 2 1 212.337 1.284 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@]2(C[NH3+])CCCC[C@H]2C)C1 ZINC001579129071 985804709 /nfs/dbraw/zinc/80/47/09/985804709.db2.gz FDOFNZXUJQCZSO-MQYQWHSLSA-N 2 1 240.391 1.909 20 0 BDADMP COc1cc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)ccn1 ZINC001579145858 985811129 /nfs/dbraw/zinc/81/11/29/985811129.db2.gz DEAQGKKDNOUIDS-NQBHXWOUSA-N 2 1 249.358 1.219 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H]3CC[NH2+]C[C@H]32)c1 ZINC001579146991 985813340 /nfs/dbraw/zinc/81/33/40/985813340.db2.gz YKKONHHMMZGRKT-BXUZGUMPSA-N 2 1 247.342 1.192 20 0 BDADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccn1 ZINC001579149252 985817438 /nfs/dbraw/zinc/81/74/38/985817438.db2.gz RXKPRFZCDLGSOJ-ZYHUDNBSSA-N 2 1 235.331 1.117 20 0 BDADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccn1 ZINC001579149252 985817441 /nfs/dbraw/zinc/81/74/41/985817441.db2.gz RXKPRFZCDLGSOJ-ZYHUDNBSSA-N 2 1 235.331 1.117 20 0 BDADMP CSCC[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579374955 985864695 /nfs/dbraw/zinc/86/46/95/985864695.db2.gz ZVIXDOYDHIEZOT-VXGBXAGGSA-N 2 1 228.405 1.800 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](CCCn2cccn2)C1 ZINC001206606365 985899630 /nfs/dbraw/zinc/89/96/30/985899630.db2.gz LWISGAYNSLNYOL-CYBMUJFWSA-N 2 1 236.363 1.334 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2OCCCO2)C[C@H]1CC[NH3+] ZINC001579439915 985928183 /nfs/dbraw/zinc/92/81/83/985928183.db2.gz BQUSYTNKXGAQDW-VXGBXAGGSA-N 2 1 242.363 1.056 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(O)CCCCCC2)C[C@H]1C[NH3+] ZINC001579439972 985930625 /nfs/dbraw/zinc/93/06/25/985930625.db2.gz GQATYIFJYKGBGW-CHWSQXEVSA-N 2 1 240.391 1.598 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC001579454589 985942355 /nfs/dbraw/zinc/94/23/55/985942355.db2.gz MUMLOPYLEMEISW-FRRDWIJNSA-N 2 1 238.375 1.221 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](CO)c1ccccc1 ZINC001579460908 985957405 /nfs/dbraw/zinc/95/74/05/985957405.db2.gz RNKOZXVTZIZGFI-XBFCOCLRSA-N 2 1 234.343 1.165 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001206607260 985960231 /nfs/dbraw/zinc/96/02/31/985960231.db2.gz YRUCPCFPFTYVLN-QWHCGFSZSA-N 2 1 224.348 1.740 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC001579470868 985976484 /nfs/dbraw/zinc/97/64/84/985976484.db2.gz KVAVJNHNBUCSTA-LPWJVIDDSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@]1(C)CCCCO1 ZINC001579505147 986050698 /nfs/dbraw/zinc/05/06/98/986050698.db2.gz MGGBSPBGMTZZSV-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP Cc1n[nH]c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC001579514916 986068203 /nfs/dbraw/zinc/06/82/03/986068203.db2.gz ZHLBDLMGIYVUOF-LDYMZIIASA-N 2 1 222.336 1.053 20 0 BDADMP Cc1n[nH]c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC001579514916 986068218 /nfs/dbraw/zinc/06/82/18/986068218.db2.gz ZHLBDLMGIYVUOF-LDYMZIIASA-N 2 1 222.336 1.053 20 0 BDADMP Cc1cc(C)c2c(c1)CC[N@H+](C[C@@](C)(O)C[NH3+])C2 ZINC001579576802 986092712 /nfs/dbraw/zinc/09/27/12/986092712.db2.gz OFAKOHZZGSUGRC-HNNXBMFYSA-N 2 1 248.370 1.371 20 0 BDADMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)ncn1 ZINC001579593064 986105256 /nfs/dbraw/zinc/10/52/56/986105256.db2.gz UCFNOOGCJCWQRJ-UHFFFAOYSA-N 2 1 234.347 1.216 20 0 BDADMP Cc1cc(NC(=O)[C@H]2C[C@H]2C[NH3+])cn2cc[nH+]c12 ZINC001579632333 986141583 /nfs/dbraw/zinc/14/15/83/986141583.db2.gz ALIGASYIYQELTI-ONGXEEELSA-N 2 1 244.298 1.176 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001461829135 986197151 /nfs/dbraw/zinc/19/71/51/986197151.db2.gz KTWUGHDCQMHURJ-YNEHKIRRSA-N 2 1 240.391 1.589 20 0 BDADMP Cc1occc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001579932061 986355147 /nfs/dbraw/zinc/35/51/47/986355147.db2.gz XCXRJNZOVABRMQ-SKDRFNHKSA-N 2 1 208.305 1.533 20 0 BDADMP Cn1ncc2c1CCC[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC001580009518 986409036 /nfs/dbraw/zinc/40/90/36/986409036.db2.gz SSOPFXACNLWQRZ-WCQYABFASA-N 2 1 248.374 1.296 20 0 BDADMP [NH3+][C@@H](C[NH2+][C@@H]1CCCC[C@H]1F)CC(F)F ZINC001580131578 986603189 /nfs/dbraw/zinc/60/31/89/986603189.db2.gz FMIDGDLWBPFEPB-IWSPIJDZSA-N 2 1 224.270 1.839 20 0 BDADMP [NH3+]C1(CC[N@H+]2CC[C@@H]2C2CC2)CCOCC1 ZINC001580143951 986615240 /nfs/dbraw/zinc/61/52/40/986615240.db2.gz HQLFMCHIXCWJEE-GFCCVEGCSA-N 2 1 224.348 1.369 20 0 BDADMP COC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516159 986653388 /nfs/dbraw/zinc/65/33/88/986653388.db2.gz JHGZEIWDSAEXGE-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)(O)CC2)CC1 ZINC001254515983 986655666 /nfs/dbraw/zinc/65/56/66/986655666.db2.gz IBCLIWQAMCFIQA-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC001254515983 986655676 /nfs/dbraw/zinc/65/56/76/986655676.db2.gz IBCLIWQAMCFIQA-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC001254515983 986655688 /nfs/dbraw/zinc/65/56/88/986655688.db2.gz IBCLIWQAMCFIQA-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)C1CCCC1 ZINC001580229711 986657943 /nfs/dbraw/zinc/65/79/43/986657943.db2.gz SLWZAROYVVWNBE-VOAKCMCISA-N 2 1 224.348 1.128 20 0 BDADMP C[NH+](C)[C@H]1CCCN([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254523630 986671995 /nfs/dbraw/zinc/67/19/95/986671995.db2.gz QJURLFBWLOQYLB-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CC3(CSC3)C2)CC1 ZINC001254529029 986674046 /nfs/dbraw/zinc/67/40/46/986674046.db2.gz BYKBTYCKCIFRQM-NSHDSACASA-N 2 1 226.389 1.520 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CC3(CSC3)C2)CC1 ZINC001254529029 986674048 /nfs/dbraw/zinc/67/40/48/986674048.db2.gz BYKBTYCKCIFRQM-NSHDSACASA-N 2 1 226.389 1.520 20 0 BDADMP [NH3+]CC12CCC(CC1)[N@H+]2CCC1(O)CCC1 ZINC001580248172 986703365 /nfs/dbraw/zinc/70/33/65/986703365.db2.gz NZPFLAZSDJNOIX-UHFFFAOYSA-N 2 1 224.348 1.247 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001580293101 986735123 /nfs/dbraw/zinc/73/51/23/986735123.db2.gz QOQZPYBJIYCYNT-UONOGXRCSA-N 2 1 240.391 1.600 20 0 BDADMP CCN1CCC([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383652602 986819320 /nfs/dbraw/zinc/81/93/20/986819320.db2.gz DVJBSQSKHZMXNI-ZDUSSCGKSA-N 2 1 239.407 1.532 20 0 BDADMP CCN1CCC([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000383652602 986819328 /nfs/dbraw/zinc/81/93/28/986819328.db2.gz DVJBSQSKHZMXNI-ZDUSSCGKSA-N 2 1 239.407 1.532 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC001580422931 986843053 /nfs/dbraw/zinc/84/30/53/986843053.db2.gz IJCFJGKTBYPMJQ-BETUJISGSA-N 2 1 234.347 1.263 20 0 BDADMP Nc1ncccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001580472382 986869941 /nfs/dbraw/zinc/86/99/41/986869941.db2.gz FFHBCBNLVQZWQV-GHMZBOCLSA-N 2 1 232.331 1.023 20 0 BDADMP C[N@H+]1CC[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001255438853 986962895 /nfs/dbraw/zinc/96/28/95/986962895.db2.gz PFLRXOVDVQBITI-KGLIPLIRSA-N 2 1 237.391 1.251 20 0 BDADMP CN1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001255469893 986971747 /nfs/dbraw/zinc/97/17/47/986971747.db2.gz GITYFWLHGHXPEM-ZIAGYGMSSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC(OC)OC ZINC001255945617 987081229 /nfs/dbraw/zinc/08/12/29/987081229.db2.gz HFUSFCUXADENLI-NSHDSACASA-N 2 1 232.368 1.315 20 0 BDADMP CCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001245991369 987271086 /nfs/dbraw/zinc/27/10/86/987271086.db2.gz KGZAGDAWZQNODV-AGIUHOORSA-N 2 1 228.380 1.515 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccncc1 ZINC001256718036 987277278 /nfs/dbraw/zinc/27/72/78/987277278.db2.gz ADOOJRLGCMJEDO-NSHDSACASA-N 2 1 244.342 1.891 20 0 BDADMP C[N@@H+](Cc1ncc[nH]1)CC1CC[NH+](C)CC1 ZINC000691560888 987283096 /nfs/dbraw/zinc/28/30/96/987283096.db2.gz DFLCETNAEBGSND-UHFFFAOYSA-N 2 1 222.336 1.183 20 0 BDADMP C[N@H+](Cc1ncc[nH]1)CC1CC[NH+](C)CC1 ZINC000691560888 987283108 /nfs/dbraw/zinc/28/31/08/987283108.db2.gz DFLCETNAEBGSND-UHFFFAOYSA-N 2 1 222.336 1.183 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@](C)(O)c1ccccc1 ZINC001245999675 987287340 /nfs/dbraw/zinc/28/73/40/987287340.db2.gz BZEHMDDYAURORH-OLZOCXBDSA-N 2 1 222.332 1.221 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016567 987302915 /nfs/dbraw/zinc/30/29/15/987302915.db2.gz LZVRSJDHEDJVEH-QWRGUYRKSA-N 2 1 214.353 1.207 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246020609 987305611 /nfs/dbraw/zinc/30/56/11/987305611.db2.gz IWHJAHBYATZLGE-ZIAGYGMSSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H](O)C(F)(F)F)CC1 ZINC001246022341 987314622 /nfs/dbraw/zinc/31/46/22/987314622.db2.gz QVGOLNWDAFHXDS-IUCAKERBSA-N 2 1 240.269 1.113 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](C[C@H](O)C(F)(F)F)CC1 ZINC001246022341 987314615 /nfs/dbraw/zinc/31/46/15/987314615.db2.gz QVGOLNWDAFHXDS-IUCAKERBSA-N 2 1 240.269 1.113 20 0 BDADMP CCCC[C@@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246028356 987325409 /nfs/dbraw/zinc/32/54/09/987325409.db2.gz BFWUWWBTXDDOIV-CHWSQXEVSA-N 2 1 228.380 1.598 20 0 BDADMP CC(C)[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246031482 987331077 /nfs/dbraw/zinc/33/10/77/987331077.db2.gz QBHWLCCBOCGZGW-YNEHKIRRSA-N 2 1 228.380 1.310 20 0 BDADMP CCc1[nH+]ccn1C[C@H]1CCCC[NH2+]C1 ZINC000696999263 987342482 /nfs/dbraw/zinc/34/24/82/987342482.db2.gz OCKYJQYJHUMDTB-NSHDSACASA-N 2 1 207.321 1.835 20 0 BDADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000696789853 987343448 /nfs/dbraw/zinc/34/34/48/987343448.db2.gz RKQQAYCYMIBWAK-KBPBESRZSA-N 2 1 242.407 1.988 20 0 BDADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699314181 987372900 /nfs/dbraw/zinc/37/29/00/987372900.db2.gz IUIALRAWVUTQQA-WODVXLOZSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@]1(C[NH2+]C2CC[NH2+]CC2)CCCC[NH2+]C1 ZINC001246089055 987390981 /nfs/dbraw/zinc/39/09/81/987390981.db2.gz BDJAKRZKJDGLSA-ZDUSSCGKSA-N 3 1 225.380 1.108 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)C[NH2+]1 ZINC001246090262 987394612 /nfs/dbraw/zinc/39/46/12/987394612.db2.gz WDTWUWLQHNDFFJ-FDYHWXHSSA-N 2 1 226.364 1.410 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246096462 987408433 /nfs/dbraw/zinc/40/84/33/987408433.db2.gz UYUOYSUTTDQCHU-AGIUHOORSA-N 2 1 225.380 1.106 20 0 BDADMP C[C@H]1CC[C@@H](C[NH2+]C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246097528 987408680 /nfs/dbraw/zinc/40/86/80/987408680.db2.gz ORNCNGANRGCPNX-IZXDZPFWSA-N 3 1 235.375 1.023 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH2+]CC2)C[NH2+]1 ZINC001246096464 987410400 /nfs/dbraw/zinc/41/04/00/987410400.db2.gz UYUOYSUTTDQCHU-JHJVBQTASA-N 2 1 225.380 1.106 20 0 BDADMP CC(C)(N)C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246098734 987412969 /nfs/dbraw/zinc/41/29/69/987412969.db2.gz DGUZWSPWPBYYMZ-UHFFFAOYSA-N 2 1 239.407 1.626 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246099852 987419338 /nfs/dbraw/zinc/41/93/38/987419338.db2.gz KUGJMOSOCFZQHD-LNFKQOIKSA-N 2 1 200.301 1.607 20 0 BDADMP C[NH2+]CC[C@@H](C)[NH2+]C[C@@]1(C)CCCC[NH2+]C1 ZINC001246104103 987428020 /nfs/dbraw/zinc/42/80/20/987428020.db2.gz UJPWITDYDHEMLT-OLZOCXBDSA-N 3 1 227.396 1.354 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(=O)[nH]1 ZINC001246103191 987428586 /nfs/dbraw/zinc/42/85/86/987428586.db2.gz GJISOBCCRGBXML-CMPLNLGQSA-N 2 1 249.358 1.634 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108043 987438189 /nfs/dbraw/zinc/43/81/89/987438189.db2.gz BVLBOLLZIJCMSK-IZXDZPFWSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC3(C[NH2+]C3)C2)NC1 ZINC001246107326 987438753 /nfs/dbraw/zinc/43/87/53/987438753.db2.gz FWLDQVQUIJPMEV-AGIUHOORSA-N 2 1 237.391 1.106 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[N@@H+](C)CC1 ZINC001246117235 987460909 /nfs/dbraw/zinc/46/09/09/987460909.db2.gz YIMOREFDAULWJE-MGPQQGTHSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001246117235 987460917 /nfs/dbraw/zinc/46/09/17/987460917.db2.gz YIMOREFDAULWJE-MGPQQGTHSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001246117235 987460923 /nfs/dbraw/zinc/46/09/23/987460923.db2.gz YIMOREFDAULWJE-MGPQQGTHSA-N 3 1 239.407 1.306 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]12CCOC2 ZINC001473560378 987481474 /nfs/dbraw/zinc/48/14/74/987481474.db2.gz WQKVDXIXTFTYKD-ZDUSSCGKSA-N 2 1 235.331 1.446 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]12CCOC2 ZINC001473560378 987481482 /nfs/dbraw/zinc/48/14/82/987481482.db2.gz WQKVDXIXTFTYKD-ZDUSSCGKSA-N 2 1 235.331 1.446 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130240 987481665 /nfs/dbraw/zinc/48/16/65/987481665.db2.gz UPVUQNPCKUVLAF-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246132757 987484698 /nfs/dbraw/zinc/48/46/98/987484698.db2.gz NPWGDBBOQXXEQB-DGTMBMJNSA-N 3 1 237.391 1.105 20 0 BDADMP CC(C)COCC[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246134710 987486478 /nfs/dbraw/zinc/48/64/78/987486478.db2.gz RVPGHKIFZWUTEX-STQMWFEESA-N 2 1 240.391 1.779 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246134593 987486877 /nfs/dbraw/zinc/48/68/77/987486877.db2.gz NUDOHTPFSHYQBS-RYMFRWLXSA-N 2 1 240.391 1.778 20 0 BDADMP CCCC[C@@H](CCC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135933 987493664 /nfs/dbraw/zinc/49/36/64/987493664.db2.gz SSRXLSSHLIYNLR-AAVRWANBSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)CCO1 ZINC001246135261 987494978 /nfs/dbraw/zinc/49/49/78/987494978.db2.gz TVTBIPWXNKKJQF-TUAOUCFPSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC001246147995 987507535 /nfs/dbraw/zinc/50/75/35/987507535.db2.gz NPWGDBBOQXXEQB-XGFWRYKXSA-N 3 1 237.391 1.105 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246165342 987526394 /nfs/dbraw/zinc/52/63/94/987526394.db2.gz QKXGGVHFZVLPLI-CYDGBPFRSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCCCCC[NH3+])C[NH2+]1 ZINC001246165237 987529349 /nfs/dbraw/zinc/52/93/49/987529349.db2.gz QDHGUJCAMSOEOB-NEPJUHHUSA-N 3 1 213.369 1.236 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@H]2CCCO2)C1 ZINC000401222397 987539808 /nfs/dbraw/zinc/53/98/08/987539808.db2.gz ZZIIYHDGQBIRSX-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@H]2CCCO2)C1 ZINC000401222397 987539821 /nfs/dbraw/zinc/53/98/21/987539821.db2.gz ZZIIYHDGQBIRSX-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246176038 987543703 /nfs/dbraw/zinc/54/37/03/987543703.db2.gz JXTRRCMHSPHOHO-MWLCHTKSSA-N 3 1 222.336 1.006 20 0 BDADMP COC(=O)C1(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCC1 ZINC001246184320 987560556 /nfs/dbraw/zinc/56/05/56/987560556.db2.gz ZSHXCACAZKXEIU-WDEREUQCSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC001246199301 987594154 /nfs/dbraw/zinc/59/41/54/987594154.db2.gz UNADWJIHOKRRKP-RNJOBUHISA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[NH2+]1 ZINC001246216526 987613664 /nfs/dbraw/zinc/61/36/64/987613664.db2.gz AXNKQBXHMSTVSR-CYDGBPFRSA-N 2 1 226.364 1.268 20 0 BDADMP CC[NH+](CC)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001116531575 987618116 /nfs/dbraw/zinc/61/81/16/987618116.db2.gz BTGUAEPNURENAU-GFCCVEGCSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246226740 987621424 /nfs/dbraw/zinc/62/14/24/987621424.db2.gz BODOQMNJNKIHMC-JHJVBQTASA-N 3 1 225.380 1.106 20 0 BDADMP c1cnc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC001246228843 987624533 /nfs/dbraw/zinc/62/45/33/987624533.db2.gz GTECSYCYIYQUFC-CQSZACIVSA-N 2 1 231.343 1.801 20 0 BDADMP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCCNC1 ZINC001246229484 987625846 /nfs/dbraw/zinc/62/58/46/987625846.db2.gz JVVNRDNNHSNANO-CHWSQXEVSA-N 2 1 225.380 1.108 20 0 BDADMP Cc1cccc([C@H](C)[NH2+]C2CC[NH2+]CC2)n1 ZINC001246240833 987641033 /nfs/dbraw/zinc/64/10/33/987641033.db2.gz XOWRNHTWQLQIRZ-NSHDSACASA-N 2 1 219.332 1.793 20 0 BDADMP CC(C)(C[NH3+])C[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246250766 987649237 /nfs/dbraw/zinc/64/92/37/987649237.db2.gz RNWHBZAYPMYZJX-VXGBXAGGSA-N 3 1 241.423 1.728 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2=O)CC[NH2+]1 ZINC001246262069 987652162 /nfs/dbraw/zinc/65/21/62/987652162.db2.gz HLTQHZITIXSWRG-VWYCJHECSA-N 2 1 210.321 1.228 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C23CCC(O)(CC2)CC3)C[NH2+]1 ZINC001246266778 987663297 /nfs/dbraw/zinc/66/32/97/987663297.db2.gz PNVMYQIRBNGVPP-FEPKRQSRSA-N 2 1 238.375 1.554 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246298477 987692627 /nfs/dbraw/zinc/69/26/27/987692627.db2.gz BLNWAFJXNAGKFK-ZDEQEGDKSA-N 2 1 228.380 1.371 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246311640 987711464 /nfs/dbraw/zinc/71/14/64/987711464.db2.gz WYRUERQNANEPTQ-RWMBFGLXSA-N 2 1 228.380 1.371 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246311626 987712615 /nfs/dbraw/zinc/71/26/15/987712615.db2.gz QJSXTCRJWFAAJX-YFKTTZPYSA-N 2 1 240.347 1.058 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ncccc32)CC[NH2+]1 ZINC001246310240 987712742 /nfs/dbraw/zinc/71/27/42/987712742.db2.gz GGZQGSGRCXIOFT-SUNKGSAMSA-N 2 1 231.343 1.799 20 0 BDADMP CC[C@H]([NH3+])CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246310975 987713021 /nfs/dbraw/zinc/71/30/21/987713021.db2.gz BJDBRTZAECGEGB-RVMXOQNASA-N 2 1 225.380 1.329 20 0 BDADMP C[NH2+]CC[C@H](C)NCc1cccc(C[NH2+]C)c1 ZINC001246321046 987728763 /nfs/dbraw/zinc/72/87/63/987728763.db2.gz AQJKEDYQFXKOEK-LBPRGKRZSA-N 2 1 235.375 1.494 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[NH2+]C1)C2 ZINC001246328529 987733594 /nfs/dbraw/zinc/73/35/94/987733594.db2.gz YRFSQOOUWGNXCT-SYQHCUMBSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC2CCC(O)CC2)C[NH2+]1 ZINC001246333254 987741251 /nfs/dbraw/zinc/74/12/51/987741251.db2.gz KGIGFMVYIWKUPS-ZIHBUVQPSA-N 2 1 240.391 1.658 20 0 BDADMP CC(C)C[N@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246362152 987768633 /nfs/dbraw/zinc/76/86/33/987768633.db2.gz NLZFYKMUXHLQQK-MJBXVCDLSA-N 2 1 239.407 1.447 20 0 BDADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](C3CCC3)C2)C[NH2+]1 ZINC001246359447 987768894 /nfs/dbraw/zinc/76/88/94/987768894.db2.gz BPNIRWHXPYTQOT-AGIUHOORSA-N 2 1 237.391 1.343 20 0 BDADMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1O ZINC001246373738 987776015 /nfs/dbraw/zinc/77/60/15/987776015.db2.gz KAWJHNGXXCBMHU-UHFFFAOYSA-N 2 1 236.315 1.242 20 0 BDADMP CC(C)n1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246384906 987778544 /nfs/dbraw/zinc/77/85/44/987778544.db2.gz MDOZTJKHKGAQDN-FUNVUKJBSA-N 2 1 248.374 1.837 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C(C)(C)C(C)(C)O)C[NH2+]1 ZINC001246392190 987780195 /nfs/dbraw/zinc/78/01/95/987780195.db2.gz VMDXZBASLFLPLK-ZJUUUORDSA-N 2 1 214.353 1.266 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 ZINC001246402308 987782597 /nfs/dbraw/zinc/78/25/97/987782597.db2.gz VTHDQPNPPTUVDY-VWYCJHECSA-N 2 1 228.336 1.045 20 0 BDADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCNC1 ZINC001246396124 987784501 /nfs/dbraw/zinc/78/45/01/987784501.db2.gz BRRSZFNORJDKDI-MGPQQGTHSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)N([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001246396124 987784507 /nfs/dbraw/zinc/78/45/07/987784507.db2.gz BRRSZFNORJDKDI-MGPQQGTHSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)(C[NH2+][C@@H]1CCC[NH2+]C1)Cc1cccnc1 ZINC001246434830 987799828 /nfs/dbraw/zinc/79/98/28/987799828.db2.gz ZNCVOHNQMODZOJ-CQSZACIVSA-N 2 1 247.386 1.992 20 0 BDADMP C[C@@H]1CC[C@H](NC2C[NH+](C(C)(C)C)C2)C[NH2+]1 ZINC001246446226 987807283 /nfs/dbraw/zinc/80/72/83/987807283.db2.gz LCMVXJAPJJDFGI-MNOVXSKESA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)(CC1CCOCC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246456298 987812632 /nfs/dbraw/zinc/81/26/32/987812632.db2.gz KXESSNXBZLEOAL-CYBMUJFWSA-N 2 1 240.391 1.923 20 0 BDADMP CCCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246455394 987813896 /nfs/dbraw/zinc/81/38/96/987813896.db2.gz WVMVOVJPGZIJOW-GFCCVEGCSA-N 3 1 215.385 1.483 20 0 BDADMP Nc1cccc(CC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246467131 987825820 /nfs/dbraw/zinc/82/58/20/987825820.db2.gz SEJGULFMBDYKHY-CYBMUJFWSA-N 2 1 219.332 1.153 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246490524 987843299 /nfs/dbraw/zinc/84/32/99/987843299.db2.gz DCHPTFMRKFPNJC-MRFVTOPCSA-N 3 1 237.391 1.249 20 0 BDADMP C[C@H]1CC[C@@H](NC2CC3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246490524 987843301 /nfs/dbraw/zinc/84/33/01/987843301.db2.gz DCHPTFMRKFPNJC-MRFVTOPCSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3nccn3c2)CC[NH2+]1 ZINC001246497829 987852580 /nfs/dbraw/zinc/85/25/80/987852580.db2.gz YPCGPIVEKGLPEZ-AAEUAGOBSA-N 2 1 244.342 1.564 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC001246500212 987855361 /nfs/dbraw/zinc/85/53/61/987855361.db2.gz PWIYDUBDPYDVJC-LOWVWBTDSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246501705 987856983 /nfs/dbraw/zinc/85/69/83/987856983.db2.gz CCYAZBQQDHXSKY-AAEUAGOBSA-N 3 1 237.391 1.249 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC001246528988 987883776 /nfs/dbraw/zinc/88/37/76/987883776.db2.gz PUKNAHVGNQWTDT-NSHDSACASA-N 2 1 200.326 1.097 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246531355 987885398 /nfs/dbraw/zinc/88/53/98/987885398.db2.gz PWMOYYZMTSBCRJ-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246531355 987885402 /nfs/dbraw/zinc/88/54/02/987885402.db2.gz PWMOYYZMTSBCRJ-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CCC[N@@H+]([C@@H](C)CC)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246532410 987889816 /nfs/dbraw/zinc/88/98/16/987889816.db2.gz ZTQREOMDHCNION-QWHCGFSZSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@]1([NH3+])CC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246535720 987893686 /nfs/dbraw/zinc/89/36/86/987893686.db2.gz PFSCSTMIQVDFDK-WGBDABJCSA-N 2 1 222.332 1.167 20 0 BDADMP C[C@]1([NH3+])CC[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246535720 987893687 /nfs/dbraw/zinc/89/36/87/987893687.db2.gz PFSCSTMIQVDFDK-WGBDABJCSA-N 2 1 222.332 1.167 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C[NH3+])CC1)C2 ZINC001246538990 987897247 /nfs/dbraw/zinc/89/72/47/987897247.db2.gz RGIMNJHITLQFCE-BTTYYORXSA-N 3 1 237.391 1.282 20 0 BDADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C[NH3+])CC1)C2 ZINC001246538990 987897250 /nfs/dbraw/zinc/89/72/50/987897250.db2.gz RGIMNJHITLQFCE-BTTYYORXSA-N 2 1 237.391 1.282 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CCSC2)C[C@H]1C[NH3+] ZINC001246538069 987898223 /nfs/dbraw/zinc/89/82/23/987898223.db2.gz ALOYROOFEURBRE-AEJSXWLSSA-N 2 1 200.351 1.019 20 0 BDADMP C[C@H]1C[N@@H+](C2C[C@@H](C)[NH2+][C@H](C)C2)C[C@H]1C[NH3+] ZINC001246539225 987904916 /nfs/dbraw/zinc/90/49/16/987904916.db2.gz FQNSNKLPQWAZKQ-IRCOFANPSA-N 3 1 225.380 1.042 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@@H](C)[NH2+][C@H](C)C2)C[C@H]1C[NH3+] ZINC001246539225 987904919 /nfs/dbraw/zinc/90/49/19/987904919.db2.gz FQNSNKLPQWAZKQ-IRCOFANPSA-N 3 1 225.380 1.042 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246543072 987908369 /nfs/dbraw/zinc/90/83/69/987908369.db2.gz SHACYYPRQUSZIO-IJLUTSLNSA-N 2 1 240.347 1.141 20 0 BDADMP CO[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246541333 987908771 /nfs/dbraw/zinc/90/87/71/987908771.db2.gz GPSUYIVVVBSXFX-WISYIIOYSA-N 2 1 212.337 1.366 20 0 BDADMP CCC[C@@H](CC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541923 987910313 /nfs/dbraw/zinc/91/03/13/987910313.db2.gz HRABNCKTGFPSKG-CHWSQXEVSA-N 2 1 228.380 1.741 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246544394 987916912 /nfs/dbraw/zinc/91/69/12/987916912.db2.gz VMEICCYCCBWAAZ-BFHYXJOUSA-N 2 1 242.407 1.985 20 0 BDADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246544394 987916918 /nfs/dbraw/zinc/91/69/18/987916918.db2.gz VMEICCYCCBWAAZ-BFHYXJOUSA-N 2 1 242.407 1.985 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544973 987919396 /nfs/dbraw/zinc/91/93/96/987919396.db2.gz IOQGGHWYFDEPNE-WUHRBBMRSA-N 3 1 223.364 1.083 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246544973 987919406 /nfs/dbraw/zinc/91/94/06/987919406.db2.gz IOQGGHWYFDEPNE-WUHRBBMRSA-N 3 1 223.364 1.083 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549851 987936925 /nfs/dbraw/zinc/93/69/25/987936925.db2.gz IMNQMUKIKQEJOT-OCCSQVGLSA-N 3 1 239.407 1.720 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246549851 987936944 /nfs/dbraw/zinc/93/69/44/987936944.db2.gz IMNQMUKIKQEJOT-OCCSQVGLSA-N 3 1 239.407 1.720 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246550923 987942748 /nfs/dbraw/zinc/94/27/48/987942748.db2.gz KYAMTXCVUVNEKK-UPJWGTAASA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+]C(C)(C)C2)C[C@H]1C[NH3+] ZINC001246550923 987942765 /nfs/dbraw/zinc/94/27/65/987942765.db2.gz KYAMTXCVUVNEKK-UPJWGTAASA-N 3 1 239.407 1.434 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552800 987952325 /nfs/dbraw/zinc/95/23/25/987952325.db2.gz ZPJDVTAWSIPIOM-QJPTWQEYSA-N 2 1 242.363 1.530 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552800 987952336 /nfs/dbraw/zinc/95/23/36/987952336.db2.gz ZPJDVTAWSIPIOM-QJPTWQEYSA-N 2 1 242.363 1.530 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](O)CC2)CC[NH2+]1 ZINC001246557671 987974858 /nfs/dbraw/zinc/97/48/58/987974858.db2.gz NVVWNFMKJMAQBY-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246563134 988004057 /nfs/dbraw/zinc/00/40/57/988004057.db2.gz OTQMTZXCGWHQBH-JHJVBQTASA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1N ZINC001246563134 988004072 /nfs/dbraw/zinc/00/40/72/988004072.db2.gz OTQMTZXCGWHQBH-JHJVBQTASA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1N ZINC001246563134 988004086 /nfs/dbraw/zinc/00/40/86/988004086.db2.gz OTQMTZXCGWHQBH-JHJVBQTASA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563659 988005751 /nfs/dbraw/zinc/00/57/51/988005751.db2.gz LGOUDTCPOPQCIO-LSGALXMHSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246563659 988005766 /nfs/dbraw/zinc/00/57/66/988005766.db2.gz LGOUDTCPOPQCIO-LSGALXMHSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CCC[C@H]1C[NH3+] ZINC001246562447 988008208 /nfs/dbraw/zinc/00/82/08/988008208.db2.gz MWQYSBXKPAQZQO-NLXYCFSDSA-N 3 1 249.402 1.352 20 0 BDADMP C[C@H]1CC[N@H+](C2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001246562715 988009350 /nfs/dbraw/zinc/00/93/50/988009350.db2.gz WESDKQWPPKKEHV-QWHCGFSZSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001246562715 988009370 /nfs/dbraw/zinc/00/93/70/988009370.db2.gz WESDKQWPPKKEHV-QWHCGFSZSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC001246562715 988009386 /nfs/dbraw/zinc/00/93/86/988009386.db2.gz WESDKQWPPKKEHV-QWHCGFSZSA-N 3 1 239.407 1.387 20 0 BDADMP C[NH2+]C1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CC1 ZINC001246564408 988014870 /nfs/dbraw/zinc/01/48/70/988014870.db2.gz NQFMRBMTKZWOAR-FEPKRQSRSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563940 988018103 /nfs/dbraw/zinc/01/81/03/988018103.db2.gz YHIVVAFXSXOVBQ-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC[NH2+]1 ZINC001246564975 988019653 /nfs/dbraw/zinc/01/96/53/988019653.db2.gz ZDMFORNRHUWJSW-MQYQWHSLSA-N 3 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCOCC2)CCC[C@@H]1C[NH3+] ZINC001246564888 988020748 /nfs/dbraw/zinc/02/07/48/988020748.db2.gz GQQAROKMJXOFHR-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1F ZINC001246566670 988022961 /nfs/dbraw/zinc/02/29/61/988022961.db2.gz TYSLIDCUIQGFQB-YTWAJWBKSA-N 2 1 200.301 1.417 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1F ZINC001246566670 988022977 /nfs/dbraw/zinc/02/29/77/988022977.db2.gz TYSLIDCUIQGFQB-YTWAJWBKSA-N 2 1 200.301 1.417 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](F)C2)CC[NH2+]1 ZINC001246571826 988065477 /nfs/dbraw/zinc/06/54/77/988065477.db2.gz NHYSDQOENQLTNN-WISYIIOYSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](F)C2)CC[NH2+]1 ZINC001246571826 988065494 /nfs/dbraw/zinc/06/54/94/988065494.db2.gz NHYSDQOENQLTNN-WISYIIOYSA-N 2 1 214.328 1.807 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC[C@@H]1F ZINC001246574360 988067843 /nfs/dbraw/zinc/06/78/43/988067843.db2.gz XYHDMPPEXJQHEA-DMGDTADUSA-N 2 1 240.322 1.234 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC[C@@H]1F ZINC001246574360 988067860 /nfs/dbraw/zinc/06/78/60/988067860.db2.gz XYHDMPPEXJQHEA-DMGDTADUSA-N 2 1 240.322 1.234 20 0 BDADMP CC(C)CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578059 988088453 /nfs/dbraw/zinc/08/84/53/988088453.db2.gz FKQJAIQZGRHFLS-WOPDTQHZSA-N 2 1 214.353 1.063 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1F ZINC001246574308 988071366 /nfs/dbraw/zinc/07/13/66/988071366.db2.gz XVKZVVFJKUBAEQ-NTWDBFDFSA-N 2 1 242.338 1.458 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1F ZINC001246574308 988071386 /nfs/dbraw/zinc/07/13/86/988071386.db2.gz XVKZVVFJKUBAEQ-NTWDBFDFSA-N 2 1 242.338 1.458 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC[C@H]1F ZINC001246574362 988075691 /nfs/dbraw/zinc/07/56/91/988075691.db2.gz XYHDMPPEXJQHEA-LLUNPGSJSA-N 2 1 240.322 1.234 20 0 BDADMP [NH3+][C@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC[C@H]1F ZINC001246574362 988075709 /nfs/dbraw/zinc/07/57/09/988075709.db2.gz XYHDMPPEXJQHEA-LLUNPGSJSA-N 2 1 240.322 1.234 20 0 BDADMP CCN1CC[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C1 ZINC001246576495 988079341 /nfs/dbraw/zinc/07/93/41/988079341.db2.gz KLJWXMRZYGHWPW-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCCOCC2)C1 ZINC001246579800 988105725 /nfs/dbraw/zinc/10/57/25/988105725.db2.gz LKBNEADCAYPFLA-OLZOCXBDSA-N 2 1 244.354 1.708 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001246579800 988105741 /nfs/dbraw/zinc/10/57/41/988105741.db2.gz LKBNEADCAYPFLA-OLZOCXBDSA-N 2 1 244.354 1.708 20 0 BDADMP COC(=O)CC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246581972 988107815 /nfs/dbraw/zinc/10/78/15/988107815.db2.gz LTLJAXORMFMKDI-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582771 988121546 /nfs/dbraw/zinc/12/15/46/988121546.db2.gz HMMUSGYRGBYLFM-VOAKCMCISA-N 2 1 228.380 1.453 20 0 BDADMP COC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246583091 988125675 /nfs/dbraw/zinc/12/56/75/988125675.db2.gz UCIILGXBLAPMDP-GHMZBOCLSA-N 2 1 218.316 1.174 20 0 BDADMP COC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246584329 988132926 /nfs/dbraw/zinc/13/29/26/988132926.db2.gz JACZXVMEAMFVJY-FIYWTHMPSA-N 2 1 244.354 1.705 20 0 BDADMP COC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246584329 988132934 /nfs/dbraw/zinc/13/29/34/988132934.db2.gz JACZXVMEAMFVJY-FIYWTHMPSA-N 2 1 244.354 1.705 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246584831 988137385 /nfs/dbraw/zinc/13/73/85/988137385.db2.gz VCUODXSLCNZMKR-HABKJSAYSA-N 3 1 235.375 1.106 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246584831 988137400 /nfs/dbraw/zinc/13/74/00/988137400.db2.gz VCUODXSLCNZMKR-HABKJSAYSA-N 3 1 235.375 1.106 20 0 BDADMP CC(C)CCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246586209 988143366 /nfs/dbraw/zinc/14/33/66/988143366.db2.gz ROHJQCLRVVRJRT-AVGNSLFASA-N 2 1 228.380 1.453 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC(C)(C)C[C@@]2(C)CO)CC[NH2+]1 ZINC001246588098 988154099 /nfs/dbraw/zinc/15/40/99/988154099.db2.gz JHEFWSRSBLQCKY-DYEKYZERSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCO1 ZINC001246589010 988159317 /nfs/dbraw/zinc/15/93/17/988159317.db2.gz QUJQVLMMIPILMO-DDHJBXDOSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCO1 ZINC001246589010 988159322 /nfs/dbraw/zinc/15/93/22/988159322.db2.gz QUJQVLMMIPILMO-DDHJBXDOSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590331 988166564 /nfs/dbraw/zinc/16/65/64/988166564.db2.gz SKCKKNFFUBYMSJ-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)N1CC(C)(C[NH3+])C1 ZINC001246592506 988178514 /nfs/dbraw/zinc/17/85/14/988178514.db2.gz CKAZQHKFSMQJCL-ZDUSSCGKSA-N 2 1 241.423 1.778 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCC[NH2+]CC2)C1 ZINC001246594383 988188021 /nfs/dbraw/zinc/18/80/21/988188021.db2.gz QIULNFJFAMKGCA-OLZOCXBDSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@H]1CCCCN([C@H]2CCC[NH2+]CC2)C1 ZINC001246594383 988188041 /nfs/dbraw/zinc/18/80/41/988188041.db2.gz QIULNFJFAMKGCA-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246596019 988196048 /nfs/dbraw/zinc/19/60/48/988196048.db2.gz YLSDRZYRMKRQFH-WOPDTQHZSA-N 2 1 244.354 1.705 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246596019 988196063 /nfs/dbraw/zinc/19/60/63/988196063.db2.gz YLSDRZYRMKRQFH-WOPDTQHZSA-N 2 1 244.354 1.705 20 0 BDADMP CCC(CC)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599862 988202907 /nfs/dbraw/zinc/20/29/07/988202907.db2.gz FAJAJCPZRKLTDK-UHFFFAOYSA-N 2 1 225.380 1.202 20 0 BDADMP C1CCC([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001246600189 988210683 /nfs/dbraw/zinc/21/06/83/988210683.db2.gz FRYPNEOJYSSASZ-UHFFFAOYSA-N 2 1 237.391 1.347 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599126 988211380 /nfs/dbraw/zinc/21/13/80/988211380.db2.gz ARHCVOFCHZEXPS-RDBSUJKOSA-N 3 1 237.391 1.202 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC001246599126 988211390 /nfs/dbraw/zinc/21/13/90/988211390.db2.gz ARHCVOFCHZEXPS-RDBSUJKOSA-N 3 1 237.391 1.202 20 0 BDADMP C1C[N@@H+]([C@H]2CCCOCC2)[C@]2(C1)CCC[NH2+]C2 ZINC001246606319 988228317 /nfs/dbraw/zinc/22/83/17/988228317.db2.gz DSKHWVQDVGCRCY-KBPBESRZSA-N 2 1 238.375 1.774 20 0 BDADMP C1C[N@@H+]([C@@H]2CCCOCC2)[C@]2(C1)CCC[NH2+]C2 ZINC001246606321 988229022 /nfs/dbraw/zinc/22/90/22/988229022.db2.gz DSKHWVQDVGCRCY-KGLIPLIRSA-N 2 1 238.375 1.774 20 0 BDADMP CCC[C@@H](CC)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616854 988259346 /nfs/dbraw/zinc/25/93/46/988259346.db2.gz FSJCPSNNOHTYEJ-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP CCCCC[C@@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246624608 988285612 /nfs/dbraw/zinc/28/56/12/988285612.db2.gz OBGNJTSECSMZGV-KGLIPLIRSA-N 2 1 239.407 1.593 20 0 BDADMP C1CC2(CCCC2)[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246623974 988286354 /nfs/dbraw/zinc/28/63/54/988286354.db2.gz NFAIJZLOBLRIJZ-GFCCVEGCSA-N 2 1 235.375 1.099 20 0 BDADMP C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)[NH2+]1 ZINC001246627902 988294736 /nfs/dbraw/zinc/29/47/36/988294736.db2.gz AWRPRQATZMDUOJ-BARDWOONSA-N 3 1 249.402 1.345 20 0 BDADMP CC1(C)CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246628096 988296913 /nfs/dbraw/zinc/29/69/13/988296913.db2.gz XDLOBRIKMUHWIK-JSGCOSHPSA-N 2 1 237.391 1.202 20 0 BDADMP CCCC[C@@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246627241 988299175 /nfs/dbraw/zinc/29/91/75/988299175.db2.gz UNZKKKPVFBQGPX-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP FC1(F)C[C@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246640452 988341780 /nfs/dbraw/zinc/34/17/80/988341780.db2.gz UIEUUAJWSQIPAZ-AXFHLTTASA-N 2 1 230.302 1.716 20 0 BDADMP CO[C@H]1CCC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641528 988347379 /nfs/dbraw/zinc/34/73/79/988347379.db2.gz JAMYRKQKNUTUBY-ZDEQEGDKSA-N 2 1 224.348 1.380 20 0 BDADMP CCCC[C@@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645075 988353459 /nfs/dbraw/zinc/35/34/59/988353459.db2.gz SUDBVWPDLYQOBX-OLZOCXBDSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246644241 988359510 /nfs/dbraw/zinc/35/95/10/988359510.db2.gz RHLWSDRQMQGRMN-HZSPNIEDSA-N 2 1 237.391 1.202 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCCC[N@H+]2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645658 988363482 /nfs/dbraw/zinc/36/34/82/988363482.db2.gz CWZURFDCLXYQHN-CBBWQLFWSA-N 3 1 249.402 1.202 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCCCN2[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246645658 988363496 /nfs/dbraw/zinc/36/34/96/988363496.db2.gz CWZURFDCLXYQHN-CBBWQLFWSA-N 2 1 249.402 1.202 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246647387 988365842 /nfs/dbraw/zinc/36/58/42/988365842.db2.gz SQIVFLPLKSHTEL-GBJTYRQASA-N 3 1 249.402 1.202 20 0 BDADMP C1C[C@@]2(CO1)CCC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246648197 988371922 /nfs/dbraw/zinc/37/19/22/988371922.db2.gz PDZOITXIBOTHOD-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C1C[C@@]2(CO1)CCC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246648197 988371936 /nfs/dbraw/zinc/37/19/36/988371936.db2.gz PDZOITXIBOTHOD-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246661751 988399675 /nfs/dbraw/zinc/39/96/75/988399675.db2.gz HWWDQJPFDIZDQZ-YIYPIFLZSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]1CC([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246667179 988410854 /nfs/dbraw/zinc/41/08/54/988410854.db2.gz YBSKBUWEFQOCLM-KYYPQDQFSA-N 3 1 237.391 1.185 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCc3cc(O)ccc3C2)CC[NH2+]1 ZINC001246694835 988442180 /nfs/dbraw/zinc/44/21/80/988442180.db2.gz XAWVEBRMVPRMEK-FZMZJTMJSA-N 2 1 246.354 1.891 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCc3cc(O)ccc3C2)CC[NH2+]1 ZINC001246694835 988442185 /nfs/dbraw/zinc/44/21/85/988442185.db2.gz XAWVEBRMVPRMEK-FZMZJTMJSA-N 2 1 246.354 1.891 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)CC[C@H]2O1 ZINC001246699671 988447141 /nfs/dbraw/zinc/44/71/41/988447141.db2.gz YEWCUPXBLAJIEH-QSLWVIQJSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)CC[C@H]2O1 ZINC001246699671 988447144 /nfs/dbraw/zinc/44/71/44/988447144.db2.gz YEWCUPXBLAJIEH-QSLWVIQJSA-N 2 1 238.375 1.626 20 0 BDADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246771204 988456032 /nfs/dbraw/zinc/45/60/32/988456032.db2.gz WKJHOBFUIGINRQ-YCPHOFJISA-N 2 1 224.323 1.702 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246793777 988475268 /nfs/dbraw/zinc/47/52/68/988475268.db2.gz DMPHEEIGHIPEKT-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP c1ccc([C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)nc1 ZINC001246799333 988481722 /nfs/dbraw/zinc/48/17/22/988481722.db2.gz YLHLHSCCAMQIMB-LBPRGKRZSA-N 2 1 231.343 1.623 20 0 BDADMP C[C@@H]1C[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@@H]32)CC[NH2+]1 ZINC001246832610 988526022 /nfs/dbraw/zinc/52/60/22/988526022.db2.gz MUHWBAZTHHPLPH-RQJABVFESA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)CC[NH2+]1 ZINC001246832614 988527272 /nfs/dbraw/zinc/52/72/72/988527272.db2.gz MUHWBAZTHHPLPH-SYQHCUMBSA-N 2 1 237.391 1.153 20 0 BDADMP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246845037 988559908 /nfs/dbraw/zinc/55/99/08/988559908.db2.gz IXXPWVDMGUPLNV-FRRDWIJNSA-N 2 1 228.380 1.595 20 0 BDADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246845037 988559919 /nfs/dbraw/zinc/55/99/19/988559919.db2.gz IXXPWVDMGUPLNV-FRRDWIJNSA-N 2 1 228.380 1.595 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854947 988575656 /nfs/dbraw/zinc/57/56/56/988575656.db2.gz RNDDUGTVWUFNSA-BNOWGMLFSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854947 988575669 /nfs/dbraw/zinc/57/56/69/988575669.db2.gz RNDDUGTVWUFNSA-BNOWGMLFSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCOC3)CC[NH2+]1 ZINC001246855070 988580080 /nfs/dbraw/zinc/58/00/80/988580080.db2.gz SGLCLDWCIZICLW-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)C[NH2+]1 ZINC001246856303 988580149 /nfs/dbraw/zinc/58/01/49/988580149.db2.gz WTPITQMZPIUOMU-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCCOC3)C[NH2+]1 ZINC001246856303 988580160 /nfs/dbraw/zinc/58/01/60/988580160.db2.gz WTPITQMZPIUOMU-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C(OC[C@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)C1)C1CC1 ZINC001246858097 988592046 /nfs/dbraw/zinc/59/20/46/988592046.db2.gz BAMBXFBCYIVCGH-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP C(OC[C@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)C1)C1CC1 ZINC001246858097 988592074 /nfs/dbraw/zinc/59/20/74/988592074.db2.gz BAMBXFBCYIVCGH-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH2+]1 ZINC001246858367 988593259 /nfs/dbraw/zinc/59/32/59/988593259.db2.gz GASNYFMBGSQHJV-LVEVGFFFSA-N 2 1 212.312 1.559 20 0 BDADMP CSCC[C@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859553 988594428 /nfs/dbraw/zinc/59/44/28/988594428.db2.gz LGNIHJSBJVXEDK-WSMDXJOWSA-N 2 1 244.404 1.034 20 0 BDADMP CC[C@@H](CC(C)C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860891 988598128 /nfs/dbraw/zinc/59/81/28/988598128.db2.gz ONUVRYSAPVTFEL-WJLOJVBCSA-N 2 1 240.391 1.717 20 0 BDADMP C[C@H](Cc1ccncc1)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246862088 988600349 /nfs/dbraw/zinc/60/03/49/988600349.db2.gz PWJAKPINCZCQMN-BNOWGMLFSA-N 2 1 231.343 1.436 20 0 BDADMP C[C@H](Cc1ccncc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246862088 988600369 /nfs/dbraw/zinc/60/03/69/988600369.db2.gz PWJAKPINCZCQMN-BNOWGMLFSA-N 2 1 231.343 1.436 20 0 BDADMP CC[C@H]1CC[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])C1 ZINC001246861094 988601821 /nfs/dbraw/zinc/60/18/21/988601821.db2.gz QKNUFLZNAUPLJE-VJBQPNPTSA-N 2 1 238.375 1.471 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@H]1CCCSC1)C2 ZINC001246864909 988609082 /nfs/dbraw/zinc/60/90/82/988609082.db2.gz WOIYKLRALPKYQK-DCAQKATOSA-N 2 1 212.362 1.305 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1CCCSC1)C2 ZINC001246864910 988609849 /nfs/dbraw/zinc/60/98/49/988609849.db2.gz WOIYKLRALPKYQK-MXWKQRLJSA-N 2 1 212.362 1.305 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)C[C@@H]21 ZINC001246864833 988611802 /nfs/dbraw/zinc/61/18/02/988611802.db2.gz BABLGKQRUWEASV-OBBGECFZSA-N 2 1 206.333 1.454 20 0 BDADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@@H]4C[C@]4([NH3+])C3)C[C@@H]21 ZINC001246864833 988611818 /nfs/dbraw/zinc/61/18/18/988611818.db2.gz BABLGKQRUWEASV-OBBGECFZSA-N 2 1 206.333 1.454 20 0 BDADMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC001246864162 988615770 /nfs/dbraw/zinc/61/57/70/988615770.db2.gz UOZZDIHPYSOAHC-DZGCQCFKSA-N 2 1 228.339 1.577 20 0 BDADMP CCCOC1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246866700 988619117 /nfs/dbraw/zinc/61/91/17/988619117.db2.gz GMBZKEFMKGOZBP-BLYZHGLHSA-N 2 1 238.375 1.757 20 0 BDADMP CCCOC1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246866700 988619140 /nfs/dbraw/zinc/61/91/40/988619140.db2.gz GMBZKEFMKGOZBP-BLYZHGLHSA-N 2 1 238.375 1.757 20 0 BDADMP F[C@@H]1COC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246881520 988650341 /nfs/dbraw/zinc/65/03/41/988650341.db2.gz UOYIIONDMMPOTB-NSHDSACASA-N 2 1 242.338 1.331 20 0 BDADMP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246888931 988652777 /nfs/dbraw/zinc/65/27/77/988652777.db2.gz MXJPETGMQRJCSE-FQUUOJAGSA-N 2 1 237.391 1.295 20 0 BDADMP CCCC[C@H]1C[C@H]([N@@H+](C)CCCC[NH3+])CC[NH2+]1 ZINC001246890656 988661176 /nfs/dbraw/zinc/66/11/76/988661176.db2.gz KOJBIFPXMJDURB-UONOGXRCSA-N 3 1 241.423 1.968 20 0 BDADMP CCCC[C@@H]1C[C@H]([N@@H+](C)CCO)CC[NH2+]1 ZINC001246913199 988668419 /nfs/dbraw/zinc/66/84/19/988668419.db2.gz PSHPSJGMURAOLD-VXGBXAGGSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246914133 988708384 /nfs/dbraw/zinc/70/83/84/988708384.db2.gz ZGIIDMFQWOQJOS-ZDEQEGDKSA-N 3 1 225.380 1.329 20 0 BDADMP CC[N@@H+](CCC(=O)OC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246918546 988717374 /nfs/dbraw/zinc/71/73/74/988717374.db2.gz FGPQZOLLUVRGHH-GHMZBOCLSA-N 2 1 228.336 1.012 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246919282 988727250 /nfs/dbraw/zinc/72/72/50/988727250.db2.gz ZVTXCIDBDVPRGI-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246919282 988727272 /nfs/dbraw/zinc/72/72/72/988727272.db2.gz ZVTXCIDBDVPRGI-NWDGAFQWSA-N 2 1 214.353 1.613 20 0 BDADMP CC(C)[N@@H+](CCCCCO)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246925068 988752254 /nfs/dbraw/zinc/75/22/54/988752254.db2.gz KULQREPLQKLFCQ-ZIAGYGMSSA-N 2 1 242.407 2.000 20 0 BDADMP CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246944277 988778310 /nfs/dbraw/zinc/77/83/10/988778310.db2.gz WNOHMGCSHRDNSK-MJBXVCDLSA-N 2 1 237.391 1.012 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](n3ccnn3)C2)CC[NH2+]1 ZINC001246944562 988779088 /nfs/dbraw/zinc/77/90/88/988779088.db2.gz HVQWBOREVSHHAH-UPJWGTAASA-N 2 1 249.362 1.056 20 0 BDADMP CC[C@H](N)C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001246973996 988788218 /nfs/dbraw/zinc/78/82/18/988788218.db2.gz NABNTYXQJNADLN-UNXYVOJBSA-N 2 1 213.369 1.186 20 0 BDADMP CC[C@H]([NH3+])CN(C)C1CCC([NH2+]C)CC1 ZINC001246973996 988788228 /nfs/dbraw/zinc/78/82/28/988788228.db2.gz NABNTYXQJNADLN-UNXYVOJBSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H](Cc1cccnc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246982466 988814723 /nfs/dbraw/zinc/81/47/23/988814723.db2.gz VRWMVZXKZOTMPX-WDEREUQCSA-N 2 1 207.321 1.292 20 0 BDADMP C[C@H](Cc1cccnc1)[N@H+](C)C[C@H](C)[NH3+] ZINC001246982466 988814728 /nfs/dbraw/zinc/81/47/28/988814728.db2.gz VRWMVZXKZOTMPX-WDEREUQCSA-N 2 1 207.321 1.292 20 0 BDADMP C[C@H]1CC([N@@H+]2C[C@H]([NH3+])C3(COC3)C2)C[C@H](C)C1 ZINC001246985315 988817263 /nfs/dbraw/zinc/81/72/63/988817263.db2.gz AOHNPHCCXHDMKZ-WZRBSPASSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H]1CC([N@H+]2C[C@H]([NH3+])C3(COC3)C2)C[C@H](C)C1 ZINC001246985315 988817267 /nfs/dbraw/zinc/81/72/67/988817267.db2.gz AOHNPHCCXHDMKZ-WZRBSPASSA-N 2 1 238.375 1.471 20 0 BDADMP CC(C)CC[C@H](C)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990292 988822047 /nfs/dbraw/zinc/82/20/47/988822047.db2.gz PZNBLHXWQXEKSK-RYUDHWBXSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)CC[C@H](C)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990292 988822052 /nfs/dbraw/zinc/82/20/52/988822052.db2.gz PZNBLHXWQXEKSK-RYUDHWBXSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)CC[C@H](C)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990292 988822053 /nfs/dbraw/zinc/82/20/53/988822053.db2.gz PZNBLHXWQXEKSK-RYUDHWBXSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC001246997258 988828661 /nfs/dbraw/zinc/82/86/61/988828661.db2.gz TVMHHUMKYQECOM-MROQNXINSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)C[NH2+]1 ZINC001247000603 988831047 /nfs/dbraw/zinc/83/10/47/988831047.db2.gz FISMBYUVWVUDRV-MROQNXINSA-N 2 1 236.359 1.428 20 0 BDADMP CO[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246998785 988831500 /nfs/dbraw/zinc/83/15/00/988831500.db2.gz ZQCTUDRUANXAKH-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246998785 988831502 /nfs/dbraw/zinc/83/15/02/988831502.db2.gz ZQCTUDRUANXAKH-QNWHQSFQSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246998783 988833079 /nfs/dbraw/zinc/83/30/79/988833079.db2.gz ZQCTUDRUANXAKH-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246998783 988833084 /nfs/dbraw/zinc/83/30/84/988833084.db2.gz ZQCTUDRUANXAKH-FVCCEPFGSA-N 2 1 226.364 1.626 20 0 BDADMP C[NH+](C)CCC[NH2+]Cc1cccn1C1CC1 ZINC001324425605 988836924 /nfs/dbraw/zinc/83/69/24/988836924.db2.gz SLNNEHZLCIADNJ-UHFFFAOYSA-N 2 1 221.348 1.864 20 0 BDADMP O=C1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC001247006164 988838125 /nfs/dbraw/zinc/83/81/25/988838125.db2.gz TWAVRUQGQFBBSE-YIPFDTCYSA-N 2 1 248.370 1.570 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+]([C@H]3CCCOCC3)C[C@H]2C1 ZINC001247015240 988840306 /nfs/dbraw/zinc/84/03/06/988840306.db2.gz NOVJIODRBLUMTQ-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@H]3CCCOCC3)C[C@H]2C1 ZINC001247015240 988840308 /nfs/dbraw/zinc/84/03/08/988840308.db2.gz NOVJIODRBLUMTQ-HZSPNIEDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017138 988845497 /nfs/dbraw/zinc/84/54/97/988845497.db2.gz ZVSNLINUDRTWSX-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CCO1 ZINC001247017138 988845499 /nfs/dbraw/zinc/84/54/99/988845499.db2.gz ZVSNLINUDRTWSX-SYQHCUMBSA-N 2 1 238.375 1.628 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001120243877 989614405 /nfs/dbraw/zinc/61/44/05/989614405.db2.gz GMPWNEZZRORKSN-UHFFFAOYSA-N 2 1 248.374 1.386 20 0 BDADMP CC1(C)CC[N@@H+](CCNc2nccnc2C[NH3+])C1 ZINC001120966583 989991838 /nfs/dbraw/zinc/99/18/38/989991838.db2.gz YPXDGXMHGRHHRN-UHFFFAOYSA-N 2 1 249.362 1.079 20 0 BDADMP CC(C)C[C@H]([NH3+])CC(=O)NCC[N@@H+](C)C(C)C ZINC001121996863 990172371 /nfs/dbraw/zinc/17/23/71/990172371.db2.gz MQBXPGHICYMRAR-LBPRGKRZSA-N 2 1 243.395 1.206 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nccn1C ZINC001308283220 990958232 /nfs/dbraw/zinc/95/82/32/990958232.db2.gz UUXAEJDDMRPQRN-UHFFFAOYSA-N 2 1 247.346 1.495 20 0 BDADMP Cc1c[nH]c(C[NH+]2CCC3(C[NH+](C)C3)CC2)n1 ZINC001138938196 991105183 /nfs/dbraw/zinc/10/51/83/991105183.db2.gz ASJSAIQWVASYPF-UHFFFAOYSA-N 2 1 234.347 1.246 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+](CCc2cscn2)C1 ZINC001559740194 991237648 /nfs/dbraw/zinc/23/76/48/991237648.db2.gz GSHMKPUSSUAHHP-LLVKDONJSA-N 2 1 239.388 1.569 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2cscn2)C1 ZINC001559740194 991237659 /nfs/dbraw/zinc/23/76/59/991237659.db2.gz GSHMKPUSSUAHHP-LLVKDONJSA-N 2 1 239.388 1.569 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258321944 991249162 /nfs/dbraw/zinc/24/91/62/991249162.db2.gz UIBBNTHUZCSRSF-WDEREUQCSA-N 2 1 246.420 1.566 20 0 BDADMP CSC(C)(C)C[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258321944 991249170 /nfs/dbraw/zinc/24/91/70/991249170.db2.gz UIBBNTHUZCSRSF-WDEREUQCSA-N 2 1 246.420 1.566 20 0 BDADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOCC1CC1 ZINC000226441168 991310044 /nfs/dbraw/zinc/31/00/44/991310044.db2.gz PBPKOWIYSBYKDG-AGUYFDCRSA-N 2 1 238.375 1.757 20 0 BDADMP CCOC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328492703 991389436 /nfs/dbraw/zinc/38/94/36/991389436.db2.gz OJVHOUUCAZFYDO-UHFFFAOYSA-N 2 1 240.347 1.015 20 0 BDADMP C[N@H+](Cc1cccnn1)CC1CC[NH+](C)CC1 ZINC001139972772 991444558 /nfs/dbraw/zinc/44/45/58/991444558.db2.gz FSGWFFJNBVLPKC-UHFFFAOYSA-N 2 1 234.347 1.250 20 0 BDADMP C[C@H](Cc1cccnc1)n1c[nH+]cc1CC[NH3+] ZINC001258610346 991533581 /nfs/dbraw/zinc/53/35/81/991533581.db2.gz KGUYYNPEQLZDGK-LLVKDONJSA-N 2 1 230.315 1.583 20 0 BDADMP CCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317468288 991534796 /nfs/dbraw/zinc/53/47/96/991534796.db2.gz VGZUEQPNXUESJQ-GFCCVEGCSA-N 2 1 243.395 1.031 20 0 BDADMP CC1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001561052893 991705799 /nfs/dbraw/zinc/70/57/99/991705799.db2.gz OCHPPFKFGFCHAP-NPBHJFFNSA-N 2 1 208.349 1.715 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1COCCOC1 ZINC001561054900 991709924 /nfs/dbraw/zinc/70/99/24/991709924.db2.gz CVTXNIMRSGABHM-GFCCVEGCSA-N 2 1 244.379 1.112 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001258775402 991735676 /nfs/dbraw/zinc/73/56/76/991735676.db2.gz NPXLECKOQLGCBO-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001258775402 991735678 /nfs/dbraw/zinc/73/56/78/991735678.db2.gz NPXLECKOQLGCBO-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP CCC[NH+]1CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001258772707 991740852 /nfs/dbraw/zinc/74/08/52/991740852.db2.gz XLOXJQLCWQTJGF-TXEJJXNPSA-N 2 1 208.349 1.813 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CC[C@@H]2COC)CC1 ZINC001258778075 991744717 /nfs/dbraw/zinc/74/47/17/991744717.db2.gz UNDRDNIZGBHRBA-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H]2COC)CC1 ZINC001258778075 991744721 /nfs/dbraw/zinc/74/47/21/991744721.db2.gz UNDRDNIZGBHRBA-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CCC[NH+]1CCC([NH+]2CC([C@@H](C)OC)C2)CC1 ZINC001258776531 991746442 /nfs/dbraw/zinc/74/64/42/991746442.db2.gz CYIXQFIJERLXBV-GFCCVEGCSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC001319382455 991852844 /nfs/dbraw/zinc/85/28/44/991852844.db2.gz DSCOYOPBLROOKP-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc2ccccn12 ZINC001261370221 992280497 /nfs/dbraw/zinc/28/04/97/992280497.db2.gz CGAGZEWUMCKTQT-LLVKDONJSA-N 2 1 232.331 1.422 20 0 BDADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC ZINC001569147135 992336505 /nfs/dbraw/zinc/33/65/05/992336505.db2.gz RHVQQYZONPSAKH-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)CC ZINC001569147135 992336512 /nfs/dbraw/zinc/33/65/12/992336512.db2.gz RHVQQYZONPSAKH-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC ZINC001569147135 992336519 /nfs/dbraw/zinc/33/65/19/992336519.db2.gz RHVQQYZONPSAKH-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C2(CO)CCC2)CC1(C)C ZINC001261787337 992510081 /nfs/dbraw/zinc/51/00/81/992510081.db2.gz LNRSKOGOLPIFOD-LLVKDONJSA-N 2 1 226.364 1.364 20 0 BDADMP O[C@]1(C[N@H+]2CCC[C@H](C3CC3)C2)CCC[NH2+]C1 ZINC001574440438 992856168 /nfs/dbraw/zinc/85/61/68/992856168.db2.gz DOXVIHBJNDIUCA-UONOGXRCSA-N 2 1 238.375 1.223 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC001262483774 992890910 /nfs/dbraw/zinc/89/09/10/992890910.db2.gz NDZFEMTXZNKJRJ-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2OC)C1 ZINC001262483771 992891378 /nfs/dbraw/zinc/89/13/78/992891378.db2.gz NDZFEMTXZNKJRJ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCCC[N@H+]([C@@H]1CCOC1)C2 ZINC001574801088 992913967 /nfs/dbraw/zinc/91/39/67/992913967.db2.gz NCRIOGFGOSLOBZ-OLZOCXBDSA-N 2 1 224.348 1.241 20 0 BDADMP C=Cn1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cn1 ZINC001574962189 992951429 /nfs/dbraw/zinc/95/14/29/992951429.db2.gz HDSDYSMQQJJXOO-OLZOCXBDSA-N 2 1 232.331 1.025 20 0 BDADMP C=Cn1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cn1 ZINC001574962189 992951436 /nfs/dbraw/zinc/95/14/36/992951436.db2.gz HDSDYSMQQJJXOO-OLZOCXBDSA-N 2 1 232.331 1.025 20 0 BDADMP CC(C)(C)OC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC001575160079 992995685 /nfs/dbraw/zinc/99/56/85/992995685.db2.gz FDMWIUWKRJHEOZ-SNVBAGLBSA-N 2 1 244.379 1.681 20 0 BDADMP CC(C)(C)OC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001575160078 992998377 /nfs/dbraw/zinc/99/83/77/992998377.db2.gz FDMWIUWKRJHEOZ-JTQLQIEISA-N 2 1 244.379 1.681 20 0 BDADMP C[C@@H](CNc1cc[nH+]c(N)n1)[N@@H+]1CCC[C@H](C)C1 ZINC001262679007 993020855 /nfs/dbraw/zinc/02/08/55/993020855.db2.gz WXIVYFIIGZOGBS-QWRGUYRKSA-N 2 1 249.362 1.591 20 0 BDADMP C[C@@H](CNc1cc[nH+]c(N)n1)[N@H+]1CCC[C@H](C)C1 ZINC001262679007 993020859 /nfs/dbraw/zinc/02/08/59/993020859.db2.gz WXIVYFIIGZOGBS-QWRGUYRKSA-N 2 1 249.362 1.591 20 0 BDADMP CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH+]c(N)n2)C1 ZINC001262686613 993028233 /nfs/dbraw/zinc/02/82/33/993028233.db2.gz PBAAGOIVINYUIS-NSHDSACASA-N 2 1 249.362 1.449 20 0 BDADMP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]c(N)n2)C1 ZINC001262686613 993028240 /nfs/dbraw/zinc/02/82/40/993028240.db2.gz PBAAGOIVINYUIS-NSHDSACASA-N 2 1 249.362 1.449 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001575422889 993040643 /nfs/dbraw/zinc/04/06/43/993040643.db2.gz NYCCTZYBZVSNHR-HZSPNIEDSA-N 2 1 240.391 1.312 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC12CC(C)(C1)OC2 ZINC001575453480 993048753 /nfs/dbraw/zinc/04/87/53/993048753.db2.gz PJSVHFSKZWIMCC-IYXRBSQSSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001575470831 993052038 /nfs/dbraw/zinc/05/20/38/993052038.db2.gz DRIFULHFHNBIPY-MNOVXSKESA-N 2 1 216.369 1.356 20 0 BDADMP CC(C)C[C@@H](CO)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001575546132 993068544 /nfs/dbraw/zinc/06/85/44/993068544.db2.gz SXNXCXWMHICNKB-AGIUHOORSA-N 2 1 228.380 1.181 20 0 BDADMP CC(C)CC[C@@H](O)C[NH2+][C@H](C[NH3+])C1CC1 ZINC001575566273 993072942 /nfs/dbraw/zinc/07/29/42/993072942.db2.gz SLUZDJJWCRCUFL-VXGBXAGGSA-N 2 1 214.353 1.110 20 0 BDADMP CC(C)COC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001575606434 993077206 /nfs/dbraw/zinc/07/72/06/993077206.db2.gz VRLGFPSHPXQYOR-RYUDHWBXSA-N 2 1 242.363 1.102 20 0 BDADMP CC(C)COC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001575606434 993077210 /nfs/dbraw/zinc/07/72/10/993077210.db2.gz VRLGFPSHPXQYOR-RYUDHWBXSA-N 2 1 242.363 1.102 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)NC[C@@H]([NH3+])CC(F)F ZINC001575689700 993094563 /nfs/dbraw/zinc/09/45/63/993094563.db2.gz VQCDOMVYBKCLML-ZJUUUORDSA-N 2 1 237.338 1.287 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1CN[C@@H](C[NH3+])C1CC1 ZINC001575700275 993099563 /nfs/dbraw/zinc/09/95/63/993099563.db2.gz OVUAWZVIDCPJJN-KGLIPLIRSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001576069350 993169692 /nfs/dbraw/zinc/16/96/92/993169692.db2.gz BWGNRIDTRPQVHH-QJPTWQEYSA-N 2 1 222.336 1.002 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC001576152927 993189979 /nfs/dbraw/zinc/18/99/79/993189979.db2.gz MJDYEEXYPHDPTD-ZJUUUORDSA-N 2 1 222.336 1.433 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(C2CC2)cn1 ZINC001576152926 993190518 /nfs/dbraw/zinc/19/05/18/993190518.db2.gz MJDYEEXYPHDPTD-VHSXEESVSA-N 2 1 222.336 1.433 20 0 BDADMP C[C@H]([NH3+])CN1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001576157157 993194485 /nfs/dbraw/zinc/19/44/85/993194485.db2.gz OFJAZHXMSIDRAY-RYUDHWBXSA-N 2 1 225.380 1.282 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576262571 993239176 /nfs/dbraw/zinc/23/91/76/993239176.db2.gz FHKLCEUDHZJYPL-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](O)[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576268738 993240452 /nfs/dbraw/zinc/24/04/52/993240452.db2.gz FPHHUUZGAJFFCB-NDBYEHHHSA-N 2 1 226.364 1.077 20 0 BDADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000379807280 993279686 /nfs/dbraw/zinc/27/96/86/993279686.db2.gz OFIWJIBDSRGRNU-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP Cc1cc(N[C@H]2CC[N@H+](C)C2)cc(C)[nH+]1 ZINC000379810375 993280523 /nfs/dbraw/zinc/28/05/23/993280523.db2.gz ZUFLKSQGOIJMDY-NSHDSACASA-N 2 1 205.305 1.236 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CC2(C[NH3+])CCC2)C1 ZINC001576395183 993297192 /nfs/dbraw/zinc/29/71/92/993297192.db2.gz YXBFPZKRAPZROB-LLVKDONJSA-N 2 1 226.364 1.208 20 0 BDADMP CC1(C)Cc2cccc(C[NH2+][C@H]3C[C@@H]([NH3+])C3)c2O1 ZINC001576487665 993317427 /nfs/dbraw/zinc/31/74/27/993317427.db2.gz FARUWGBLCIKIGG-BETUJISGSA-N 2 1 246.354 1.979 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnccn2)C1 ZINC001576479565 993319947 /nfs/dbraw/zinc/31/99/47/993319947.db2.gz FDXUTJLPRBXQJE-NSHDSACASA-N 2 1 234.347 1.344 20 0 BDADMP CC1(C)[C@H]2[C@H](CCC[N@H+]2C[C@@H]2CC[NH2+]C2)[C@@H]1O ZINC001576495418 993322584 /nfs/dbraw/zinc/32/25/84/993322584.db2.gz TWCAUYLVVLXFPE-XQHKEYJVSA-N 2 1 238.375 1.077 20 0 BDADMP CC1(C)OC[C@H](C[N@@H+]2CC[NH2+]CCC2(C)C)O1 ZINC001576494440 993322767 /nfs/dbraw/zinc/32/27/67/993322767.db2.gz BBHXQOXBDOLILW-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP CC1(C)OC[C@H](C[N@H+]2CC[NH2+]CCC2(C)C)O1 ZINC001576494440 993322771 /nfs/dbraw/zinc/32/27/71/993322771.db2.gz BBHXQOXBDOLILW-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP C[C@@]1(C[N@@H+]2CCC[C@@H]([NH3+])C2)CCCCO1 ZINC001576503648 993326578 /nfs/dbraw/zinc/32/65/78/993326578.db2.gz UNDLASACFVSSAU-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H]([NH3+])C2)CCCCO1 ZINC001576503648 993326580 /nfs/dbraw/zinc/32/65/80/993326580.db2.gz UNDLASACFVSSAU-NEPJUHHUSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CC[C@H]2C2CC2)C[NH2+]CCO1 ZINC001576519436 993329606 /nfs/dbraw/zinc/32/96/06/993329606.db2.gz OZBBPCAVLMGWMX-RWMBFGLXSA-N 2 1 224.348 1.143 20 0 BDADMP C[C@]1([NH2+]C[C@H]2CCC[NH2+]2)CCO[C@H]1C1CC1 ZINC001576546052 993339978 /nfs/dbraw/zinc/33/99/78/993339978.db2.gz YMQJVYCZUJRNKQ-AGIUHOORSA-N 2 1 224.348 1.286 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000380684775 993342648 /nfs/dbraw/zinc/34/26/48/993342648.db2.gz HFWVMXWZQLDURQ-RYUDHWBXSA-N 2 1 228.380 1.454 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC001576572301 993351354 /nfs/dbraw/zinc/35/13/54/993351354.db2.gz KOCRCHYSYNXENY-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)O1 ZINC001576648962 993384320 /nfs/dbraw/zinc/38/43/20/993384320.db2.gz CNTRSWCCAVRNNT-RNJOBUHISA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC001576732752 993407175 /nfs/dbraw/zinc/40/71/75/993407175.db2.gz XFTUPHSVMUXHLE-SDDRHHMPSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC001576731935 993409542 /nfs/dbraw/zinc/40/95/42/993409542.db2.gz PQKBGCBNAZNZOI-DGTMBMJNSA-N 2 1 240.391 1.323 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001576748669 993413211 /nfs/dbraw/zinc/41/32/11/993413211.db2.gz KTDPFPDNEMRXFX-MBNYWOFBSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000381711451 993417215 /nfs/dbraw/zinc/41/72/15/993417215.db2.gz KGYSRTAIPWBQNT-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001576806913 993428567 /nfs/dbraw/zinc/42/85/67/993428567.db2.gz KVLMOLPKFZIGKT-WDEREUQCSA-N 2 1 232.318 1.963 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@H]1[NH3+] ZINC001576806038 993429078 /nfs/dbraw/zinc/42/90/78/993429078.db2.gz ALWITKBWAFVTNM-CDGCEXEKSA-N 2 1 248.374 1.193 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001576849071 993431103 /nfs/dbraw/zinc/43/11/03/993431103.db2.gz BCXWWMUHIIJHLE-UPJWGTAASA-N 2 1 227.396 1.303 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc(N(C)C)n2)CC[C@H]1[NH3+] ZINC001576809492 993431385 /nfs/dbraw/zinc/43/13/85/993431385.db2.gz ZYOZBCCBJUEEOG-DGCLKSJQSA-N 2 1 248.374 1.317 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc(N(C)C)n2)CC[C@H]1[NH3+] ZINC001576809492 993431389 /nfs/dbraw/zinc/43/13/89/993431389.db2.gz ZYOZBCCBJUEEOG-DGCLKSJQSA-N 2 1 248.374 1.317 20 0 BDADMP C1[C@@H]2CCCC[C@@H]2C[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC000381910622 993431927 /nfs/dbraw/zinc/43/19/27/993431927.db2.gz ZSGQHCGQDSDDEH-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP CC[C@](C)(C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])OC ZINC001576949752 993464442 /nfs/dbraw/zinc/46/44/42/993464442.db2.gz OGGGATOJYDNUFI-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])OC ZINC001576949752 993464445 /nfs/dbraw/zinc/46/44/45/993464445.db2.gz OGGGATOJYDNUFI-XQQFMLRXSA-N 2 1 226.364 1.615 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@]12CCC[C@H]1[NH2+]CC2)OC ZINC001576970371 993476010 /nfs/dbraw/zinc/47/60/10/993476010.db2.gz IPDHRPMBFQSQOF-FQUUOJAGSA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@H](CO)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001577088424 993497349 /nfs/dbraw/zinc/49/73/49/993497349.db2.gz CHJLKTBRCRWQMS-MELADBBJSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@H](C[NH2+][C@]12CCC[C@H]1[NH2+]CC2)OC ZINC001577088944 993499326 /nfs/dbraw/zinc/49/93/26/993499326.db2.gz HUMWEFOEZIHVCT-UTUOFQBUSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577093061 993502882 /nfs/dbraw/zinc/50/28/82/993502882.db2.gz NYUKWCWQGJPJLQ-HTQZYQBOSA-N 2 1 228.258 1.281 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743774 993514860 /nfs/dbraw/zinc/51/48/60/993514860.db2.gz ISJIXHPBOTYFPK-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743774 993514869 /nfs/dbraw/zinc/51/48/69/993514869.db2.gz ISJIXHPBOTYFPK-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743774 993514877 /nfs/dbraw/zinc/51/48/77/993514877.db2.gz ISJIXHPBOTYFPK-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CCC[C@@H](N2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743774 993514887 /nfs/dbraw/zinc/51/48/87/993514887.db2.gz ISJIXHPBOTYFPK-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743774 993514897 /nfs/dbraw/zinc/51/48/97/993514897.db2.gz ISJIXHPBOTYFPK-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP CC[C@]1(C)C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC001577208867 993547246 /nfs/dbraw/zinc/54/72/46/993547246.db2.gz NOBOUIAPQOVIKP-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CCCC[N@@H+](CCCO)CCC1C[NH2+]C1 ZINC001577454734 993664927 /nfs/dbraw/zinc/66/49/27/993664927.db2.gz MVHRLLYSASZTMM-UHFFFAOYSA-N 2 1 214.353 1.080 20 0 BDADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577510236 993674797 /nfs/dbraw/zinc/67/47/97/993674797.db2.gz GJNUGZMVMLJSJH-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001577510236 993674805 /nfs/dbraw/zinc/67/48/05/993674805.db2.gz GJNUGZMVMLJSJH-RWMBFGLXSA-N 3 1 227.396 1.434 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC001577510253 993677413 /nfs/dbraw/zinc/67/74/13/993677413.db2.gz HKULHHNMDDQFAJ-UTUOFQBUSA-N 2 1 243.395 1.206 20 0 BDADMP OC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000386263234 993685904 /nfs/dbraw/zinc/68/59/04/993685904.db2.gz NDGZCRCAGYKQIP-CHWSQXEVSA-N 2 1 226.364 1.269 20 0 BDADMP CC[N@@H+](CC(=O)NC(CC)(CC)C[NH3+])C1CC1 ZINC001577663243 993715476 /nfs/dbraw/zinc/71/54/76/993715476.db2.gz NRXHFVMUZUNREX-UHFFFAOYSA-N 2 1 241.379 1.104 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2CO)CC1 ZINC000390537932 993797571 /nfs/dbraw/zinc/79/75/71/993797571.db2.gz PSJKNINNKGVRRP-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CN1CCC[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC000390620861 993799409 /nfs/dbraw/zinc/79/94/09/993799409.db2.gz FPHNWTTUARZAMJ-QWHCGFSZSA-N 2 1 225.380 1.141 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCCC[C@@H](C[NH3+])C2)C1 ZINC000390620861 993799396 /nfs/dbraw/zinc/79/93/96/993799396.db2.gz FPHNWTTUARZAMJ-QWHCGFSZSA-N 2 1 225.380 1.141 20 0 BDADMP CN1CCC[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC000390620861 993799404 /nfs/dbraw/zinc/79/94/04/993799404.db2.gz FPHNWTTUARZAMJ-QWHCGFSZSA-N 2 1 225.380 1.141 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H](C)O ZINC000700785186 993851368 /nfs/dbraw/zinc/85/13/68/993851368.db2.gz CNPYVRJUUMGGJZ-GRYCIOLGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](F)C2)CC[NH2+]1 ZINC000701898406 993936379 /nfs/dbraw/zinc/93/63/79/993936379.db2.gz ZTXFEWLAVMBTLS-VWYCJHECSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](F)C2)CC[NH2+]1 ZINC000701898406 993936385 /nfs/dbraw/zinc/93/63/85/993936385.db2.gz ZTXFEWLAVMBTLS-VWYCJHECSA-N 2 1 200.301 1.561 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cncs2)C1 ZINC000393744479 993990446 /nfs/dbraw/zinc/99/04/46/993990446.db2.gz NNKREVOZOMUKKM-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cncs2)C1 ZINC000393744479 993990455 /nfs/dbraw/zinc/99/04/55/993990455.db2.gz NNKREVOZOMUKKM-SNVBAGLBSA-N 2 1 225.361 1.704 20 0 BDADMP C[C@@H]1CC[N@H+](CCC2CCOCC2)C[C@@H]1[NH3+] ZINC000393749631 994001558 /nfs/dbraw/zinc/00/15/58/994001558.db2.gz NHEUTIZAAWZKQB-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CCOCC2)C[C@@H]1[NH3+] ZINC000393749631 994001570 /nfs/dbraw/zinc/00/15/70/994001570.db2.gz NHEUTIZAAWZKQB-YPMHNXCESA-N 2 1 226.364 1.472 20 0 BDADMP OCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000393753734 994001785 /nfs/dbraw/zinc/00/17/85/994001785.db2.gz VBADOYNESDNONI-BETUJISGSA-N 2 1 226.364 1.080 20 0 BDADMP CN(c1cc(N)[nH+]cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394129654 994043546 /nfs/dbraw/zinc/04/35/46/994043546.db2.gz GOUBFKBFRPIJOC-ZACCUICWSA-N 2 1 247.346 1.120 20 0 BDADMP CN(c1cc(N)[nH+]cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394129654 994043549 /nfs/dbraw/zinc/04/35/49/994043549.db2.gz GOUBFKBFRPIJOC-ZACCUICWSA-N 2 1 247.346 1.120 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC001332456823 994109936 /nfs/dbraw/zinc/10/99/36/994109936.db2.gz SUWXATIFLWEZNG-YUELXQCFSA-N 2 1 246.354 1.234 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC001332456823 994109944 /nfs/dbraw/zinc/10/99/44/994109944.db2.gz SUWXATIFLWEZNG-YUELXQCFSA-N 2 1 246.354 1.234 20 0 BDADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC001333597332 994478692 /nfs/dbraw/zinc/47/86/92/994478692.db2.gz QAKUCIVQMIJFMU-LBPRGKRZSA-N 2 1 249.358 1.363 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001333599548 994483186 /nfs/dbraw/zinc/48/31/86/994483186.db2.gz XBWLCKWGDMKZDC-WOPDTQHZSA-N 3 1 227.396 1.480 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001334337458 994583433 /nfs/dbraw/zinc/58/34/33/994583433.db2.gz JVZDTKYTFWCROP-STQMWFEESA-N 3 1 239.407 1.435 20 0 BDADMP C[NH2+][C@H](C)CCNCc1ccc(C[NH3+])cc1 ZINC001334775107 994632714 /nfs/dbraw/zinc/63/27/14/994632714.db2.gz RLYHAMCRIZYMJQ-LLVKDONJSA-N 2 1 221.348 1.233 20 0 BDADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccon1 ZINC000572420285 398142516 /nfs/dbraw/zinc/14/25/16/398142516.db2.gz WIQFQKPWXGBNAG-JTQLQIEISA-N 2 1 234.303 1.692 20 0 BDADMP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000563201401 398146438 /nfs/dbraw/zinc/14/64/38/398146438.db2.gz UDIVDUDBZVDEGY-IJLUTSLNSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378717620 346814912 /nfs/dbraw/zinc/81/49/12/346814912.db2.gz ARVHBDMTCHVDJX-WRWGMCAJSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000378717620 346814914 /nfs/dbraw/zinc/81/49/14/346814914.db2.gz ARVHBDMTCHVDJX-WRWGMCAJSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCCc2ccccc2C1 ZINC000062944506 349502517 /nfs/dbraw/zinc/50/25/17/349502517.db2.gz AWVFWDVKAYHZNO-LLVKDONJSA-N 2 1 204.317 1.782 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCCc2ccccc2C1 ZINC000062944506 349502520 /nfs/dbraw/zinc/50/25/20/349502520.db2.gz AWVFWDVKAYHZNO-LLVKDONJSA-N 2 1 204.317 1.782 20 0 BDADMP CCOCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156371557 136213607 /nfs/dbraw/zinc/21/36/07/136213607.db2.gz OEQDHVVQBCIERL-CYBMUJFWSA-N 2 1 236.315 1.571 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000090320177 178006036 /nfs/dbraw/zinc/00/60/36/178006036.db2.gz JWDMZEPQKBGVOJ-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000090320177 178006038 /nfs/dbraw/zinc/00/60/38/178006038.db2.gz JWDMZEPQKBGVOJ-BETUJISGSA-N 2 1 234.318 1.785 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000126893231 178007869 /nfs/dbraw/zinc/00/78/69/178007869.db2.gz IJCPGXCXHSQJGI-UWVGGRQHSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000126893231 178007871 /nfs/dbraw/zinc/00/78/71/178007871.db2.gz IJCPGXCXHSQJGI-UWVGGRQHSA-N 2 1 209.293 1.152 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCSCC1 ZINC000042444854 398171743 /nfs/dbraw/zinc/17/17/43/398171743.db2.gz HQDBBMASHLGAQK-LLVKDONJSA-N 2 1 214.378 1.425 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000336233895 178032718 /nfs/dbraw/zinc/03/27/18/178032718.db2.gz YGWXYWNGTLCZFV-SMDDNHRTSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1ncsc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000390381572 398172383 /nfs/dbraw/zinc/17/23/83/398172383.db2.gz ZSIXLKQGAKKUBX-UHFFFAOYSA-N 2 1 225.361 1.765 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1cn[nH]c1 ZINC000390533096 398177107 /nfs/dbraw/zinc/17/71/07/398177107.db2.gz NCYQZNGMKYAYLV-ZYHUDNBSSA-N 2 1 222.336 1.154 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1cn[nH]c1 ZINC000390533096 398177112 /nfs/dbraw/zinc/17/71/12/398177112.db2.gz NCYQZNGMKYAYLV-ZYHUDNBSSA-N 2 1 222.336 1.154 20 0 BDADMP CCc1nc(N2CCC([NH2+]C)CC2)cc(C)[nH+]1 ZINC000379720975 398163230 /nfs/dbraw/zinc/16/32/30/398163230.db2.gz CJCLARKFRGFWIE-UHFFFAOYSA-N 2 1 234.347 1.536 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2(C)CCC2)CCO1 ZINC000380099816 398186550 /nfs/dbraw/zinc/18/65/50/398186550.db2.gz PICHFMBUQJIORU-MNOVXSKESA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2(C)CCC2)CCO1 ZINC000380099816 398186554 /nfs/dbraw/zinc/18/65/54/398186554.db2.gz PICHFMBUQJIORU-MNOVXSKESA-N 2 1 212.337 1.225 20 0 BDADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000385933149 398192551 /nfs/dbraw/zinc/19/25/51/398192551.db2.gz DPCUZQVFEXMHOP-QLFBSQMISA-N 2 1 246.354 1.525 20 0 BDADMP CC(C)[N@@H+](Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000649411919 398214161 /nfs/dbraw/zinc/21/41/61/398214161.db2.gz UVGNNFBTDPVFNP-CYBMUJFWSA-N 2 1 233.359 1.902 20 0 BDADMP CC(C)[N@H+](Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000649411919 398214165 /nfs/dbraw/zinc/21/41/65/398214165.db2.gz UVGNNFBTDPVFNP-CYBMUJFWSA-N 2 1 233.359 1.902 20 0 BDADMP Cc1cc(NC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000037498705 178155316 /nfs/dbraw/zinc/15/53/16/178155316.db2.gz KZDFBTLIJXDADA-UHFFFAOYSA-N 2 1 220.320 1.600 20 0 BDADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649414344 398212974 /nfs/dbraw/zinc/21/29/74/398212974.db2.gz UIUCTOAAUVBHHG-TZMCWYRMSA-N 2 1 248.374 1.475 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000070169316 398221653 /nfs/dbraw/zinc/22/16/53/398221653.db2.gz KABUMQJRLSROOT-LBPRGKRZSA-N 2 1 234.343 1.953 20 0 BDADMP Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)nc(C)[nH+]1 ZINC000129508819 178189264 /nfs/dbraw/zinc/18/92/64/178189264.db2.gz MKJVOZOMNCSYED-ONGXEEELSA-N 2 1 220.320 1.646 20 0 BDADMP COC[C@H](C)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000163548956 538929261 /nfs/dbraw/zinc/92/92/61/538929261.db2.gz PTSRMFSCLXFFMS-SNVBAGLBSA-N 2 1 202.342 1.186 20 0 BDADMP C[C@H](CNC(=O)CCC[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430766224 398232054 /nfs/dbraw/zinc/23/20/54/398232054.db2.gz WMPMCXXZNBIQAR-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000252779426 136226744 /nfs/dbraw/zinc/22/67/44/136226744.db2.gz LQWIXPSFASFBFS-HZSPNIEDSA-N 2 1 237.391 1.345 20 0 BDADMP CCc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000252787090 136226904 /nfs/dbraw/zinc/22/69/04/136226904.db2.gz QDSBUXBUBKMVKS-GXSJLCMTSA-N 2 1 234.347 1.521 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000252786297 136227074 /nfs/dbraw/zinc/22/70/74/136227074.db2.gz POGIJXCSSGIMQV-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000252786297 136227075 /nfs/dbraw/zinc/22/70/75/136227075.db2.gz POGIJXCSSGIMQV-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000576475715 365606033 /nfs/dbraw/zinc/60/60/33/365606033.db2.gz LBPNVGYGOVTSFM-NWDGAFQWSA-N 2 1 237.347 1.634 20 0 BDADMP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[C@H]1[NH3+] ZINC000576570202 365626480 /nfs/dbraw/zinc/62/64/80/365626480.db2.gz JGXBYNMARQTHQW-WCBMZHEXSA-N 2 1 231.303 1.131 20 0 BDADMP Cc1ccc(O)c(CNCc2cncn2C)n1 ZINC000289865268 538946462 /nfs/dbraw/zinc/94/64/62/538946462.db2.gz OTBPJGQRKAASNF-UHFFFAOYSA-N 2 1 232.287 1.119 20 0 BDADMP CC[C@@H](C)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000180233803 538957108 /nfs/dbraw/zinc/95/71/08/538957108.db2.gz XZLVDYMLNCJZCK-CQSZACIVSA-N 2 1 241.423 1.650 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000180459771 538958561 /nfs/dbraw/zinc/95/85/61/538958561.db2.gz MQZDCXRYSXHIDS-SNVBAGLBSA-N 2 1 236.363 1.711 20 0 BDADMP CCCC(CCC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000165305005 361838149 /nfs/dbraw/zinc/83/81/49/361838149.db2.gz NFMJGZKFYLKGQO-GFCCVEGCSA-N 2 1 216.369 1.467 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166566243 361853433 /nfs/dbraw/zinc/85/34/33/361853433.db2.gz JOYACOLPGACSIP-NWDGAFQWSA-N 2 1 216.369 1.730 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000037164706 538961812 /nfs/dbraw/zinc/96/18/12/538961812.db2.gz WESNALQMOCLORV-QWHCGFSZSA-N 2 1 226.364 1.364 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCC2)[C@H](C)C1 ZINC000184529741 538969088 /nfs/dbraw/zinc/96/90/88/538969088.db2.gz QXZJSBAKRHSORI-CHWSQXEVSA-N 2 1 240.391 1.469 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000530513236 342801457 /nfs/dbraw/zinc/80/14/57/342801457.db2.gz VCAXDBCJNYYSQA-GFCCVEGCSA-N 2 1 239.363 1.613 20 0 BDADMP CC[C@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000036326758 342809288 /nfs/dbraw/zinc/80/92/88/342809288.db2.gz UFSOZDICZMQRGN-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000562280590 323014832 /nfs/dbraw/zinc/01/48/32/323014832.db2.gz DGPWQESEFRBNEA-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000417881249 398295268 /nfs/dbraw/zinc/29/52/68/398295268.db2.gz QRISLLIRHJKSLC-LBPRGKRZSA-N 2 1 237.347 1.739 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649507456 398303236 /nfs/dbraw/zinc/30/32/36/398303236.db2.gz UCEKOXZWQMHHIO-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[NH+]1CCCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649507456 398303238 /nfs/dbraw/zinc/30/32/38/398303238.db2.gz UCEKOXZWQMHHIO-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[NH+]1CCCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649507456 398303239 /nfs/dbraw/zinc/30/32/39/398303239.db2.gz UCEKOXZWQMHHIO-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCF ZINC000127015037 342864902 /nfs/dbraw/zinc/86/49/02/342864902.db2.gz DIQLJVSNTUDVEO-MXWKQRLJSA-N 2 1 202.317 1.664 20 0 BDADMP COCc1ccc(C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000401632193 342859232 /nfs/dbraw/zinc/85/92/32/342859232.db2.gz AILFDZQLVJRYNG-UHFFFAOYSA-N 2 1 249.314 1.492 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351482149 136245948 /nfs/dbraw/zinc/24/59/48/136245948.db2.gz ZEYLLXFXAUNSGR-IACUBPJLSA-N 2 1 231.343 1.438 20 0 BDADMP CC[C@]1(O)CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000495260839 529442503 /nfs/dbraw/zinc/44/25/03/529442503.db2.gz HZFZFUUGRZVZRN-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@]1(O)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000495260839 529442504 /nfs/dbraw/zinc/44/25/04/529442504.db2.gz HZFZFUUGRZVZRN-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@]1(O)CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000495260839 529442507 /nfs/dbraw/zinc/44/25/07/529442507.db2.gz HZFZFUUGRZVZRN-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000037916132 398335279 /nfs/dbraw/zinc/33/52/79/398335279.db2.gz BGOZHLWHYQUGRT-KBPBESRZSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000037916132 398335280 /nfs/dbraw/zinc/33/52/80/398335280.db2.gz BGOZHLWHYQUGRT-KBPBESRZSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000300425474 398344656 /nfs/dbraw/zinc/34/46/56/398344656.db2.gz ZBTCGFHPWPIASL-YJBUHQLJSA-N 2 1 238.375 1.769 20 0 BDADMP CC(C)CCOCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313363526 259333506 /nfs/dbraw/zinc/33/35/06/259333506.db2.gz YWJNWWNCEBDOQN-CYBMUJFWSA-N 2 1 244.379 1.099 20 0 BDADMP CC(C)CCOCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313363526 259333507 /nfs/dbraw/zinc/33/35/07/259333507.db2.gz YWJNWWNCEBDOQN-CYBMUJFWSA-N 2 1 244.379 1.099 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CCCO1 ZINC000313342642 259333580 /nfs/dbraw/zinc/33/35/80/259333580.db2.gz GXKNFJRSEDNGDU-UFRMUOTOSA-N 2 1 246.354 1.749 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CCCO1 ZINC000313342642 259333582 /nfs/dbraw/zinc/33/35/82/259333582.db2.gz GXKNFJRSEDNGDU-UFRMUOTOSA-N 2 1 246.354 1.749 20 0 BDADMP CC(C)(C)CCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313355435 259333635 /nfs/dbraw/zinc/33/36/35/259333635.db2.gz PNMWHGDZXFCBQM-LBPRGKRZSA-N 2 1 228.380 1.862 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000335906773 136260883 /nfs/dbraw/zinc/26/08/83/136260883.db2.gz XSIXBNJVPBKGDY-TZMCWYRMSA-N 2 1 231.343 1.453 20 0 BDADMP O[C@]1(C[NH+]2CCC2)CCN(Cc2ccccc2)C1 ZINC000634646678 343058695 /nfs/dbraw/zinc/05/86/95/343058695.db2.gz IZICDCQHPZKBNX-HNNXBMFYSA-N 2 1 246.354 1.329 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@H]1CCCC[NH2+]1 ZINC000386386019 343053663 /nfs/dbraw/zinc/05/36/63/343053663.db2.gz DWJPACUSQAXIRU-RWMBFGLXSA-N 2 1 226.364 1.676 20 0 BDADMP C[N@H+](C[C@H](O)Cn1cc[nH+]c1C1CC1)C1CC1 ZINC000634650492 343061009 /nfs/dbraw/zinc/06/10/09/343061009.db2.gz MZLOYDOVXPNJSZ-LBPRGKRZSA-N 2 1 235.331 1.216 20 0 BDADMP C[N@@H+](C[C@H](O)Cn1cc[nH+]c1C1CC1)C1CC1 ZINC000634650492 343061010 /nfs/dbraw/zinc/06/10/10/343061010.db2.gz MZLOYDOVXPNJSZ-LBPRGKRZSA-N 2 1 235.331 1.216 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000576881309 365712706 /nfs/dbraw/zinc/71/27/06/365712706.db2.gz YULQIDGKPCZJJC-LSDHHAIUSA-N 2 1 248.370 1.446 20 0 BDADMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000576976317 365739850 /nfs/dbraw/zinc/73/98/50/365739850.db2.gz YDLDRBLTADRYGU-FZMZJTMJSA-N 2 1 233.359 1.868 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000124525815 343162775 /nfs/dbraw/zinc/16/27/75/343162775.db2.gz WXYQMFJHQZTXEE-ZWNOBZJWSA-N 2 1 247.342 1.097 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091296 136284510 /nfs/dbraw/zinc/28/45/10/136284510.db2.gz NETAXUXTSYKSQU-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091296 136284511 /nfs/dbraw/zinc/28/45/11/136284511.db2.gz NETAXUXTSYKSQU-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091296 136284512 /nfs/dbraw/zinc/28/45/12/136284512.db2.gz NETAXUXTSYKSQU-FRRDWIJNSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+]2CCCCC[C@H]([NH3+])C2)O1 ZINC000634687916 343245451 /nfs/dbraw/zinc/24/54/51/343245451.db2.gz CXMLMCSGLYLOTI-FRRDWIJNSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCCCC[C@H]([NH3+])C2)O1 ZINC000634687916 343245453 /nfs/dbraw/zinc/24/54/53/343245453.db2.gz CXMLMCSGLYLOTI-FRRDWIJNSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000229936118 136278752 /nfs/dbraw/zinc/27/87/52/136278752.db2.gz HETXUOGAPBDYNE-UTUOFQBUSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000229936118 136278753 /nfs/dbraw/zinc/27/87/53/136278753.db2.gz HETXUOGAPBDYNE-UTUOFQBUSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)O1 ZINC000634688444 343247101 /nfs/dbraw/zinc/24/71/01/343247101.db2.gz SRJYRUJZUFAPTN-VXGBXAGGSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000069626875 343286569 /nfs/dbraw/zinc/28/65/69/343286569.db2.gz WXMGAQFTROTTRJ-VHSXEESVSA-N 2 1 209.293 1.234 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000069626875 343286571 /nfs/dbraw/zinc/28/65/71/343286571.db2.gz WXMGAQFTROTTRJ-VHSXEESVSA-N 2 1 209.293 1.234 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000348757896 136297138 /nfs/dbraw/zinc/29/71/38/136297138.db2.gz YZSWXPLHWHAWAU-ZDUSSCGKSA-N 2 1 236.363 1.252 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000348757896 136297139 /nfs/dbraw/zinc/29/71/39/136297139.db2.gz YZSWXPLHWHAWAU-ZDUSSCGKSA-N 3 1 236.363 1.252 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000348757896 136297140 /nfs/dbraw/zinc/29/71/40/136297140.db2.gz YZSWXPLHWHAWAU-ZDUSSCGKSA-N 3 1 236.363 1.252 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335636507 136301071 /nfs/dbraw/zinc/30/10/71/136301071.db2.gz MBSJGRGYVAYKSC-XVSSEFHLSA-N 3 1 225.380 1.092 20 0 BDADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000348914892 136307705 /nfs/dbraw/zinc/30/77/05/136307705.db2.gz ANRBGZHXSDFRRB-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335643103 136308771 /nfs/dbraw/zinc/30/87/71/136308771.db2.gz NKVXUPFMMOKFMO-NWDGAFQWSA-N 2 1 232.327 1.504 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000310203326 343381581 /nfs/dbraw/zinc/38/15/81/343381581.db2.gz CGWUOBNBIILCLB-REWJHTLYSA-N 2 1 242.407 1.713 20 0 BDADMP CCSCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876611 349807177 /nfs/dbraw/zinc/80/71/77/349807177.db2.gz HGXHNQROEHNCLE-LBPRGKRZSA-N 2 1 246.420 1.128 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041047201 343413430 /nfs/dbraw/zinc/41/34/30/343413430.db2.gz YYZORSJIGXJVRI-DMDPSCGWSA-N 2 1 208.349 1.859 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)CC(C)(C)COC ZINC000349364099 136343297 /nfs/dbraw/zinc/34/32/97/136343297.db2.gz FQXJFUJRVPTRKC-UHFFFAOYSA-N 2 1 230.396 1.933 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCCn1ccnc1 ZINC000349423419 136345863 /nfs/dbraw/zinc/34/58/63/136345863.db2.gz XGCBTJUGGUPFEY-VXGBXAGGSA-N 2 1 207.321 1.861 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400419626 529711792 /nfs/dbraw/zinc/71/17/92/529711792.db2.gz WKPXFHTVEWVPRO-YFKTTZPYSA-N 2 1 214.353 1.266 20 0 BDADMP CCC[N@@H+](C[C@H](O)CN(C)CC)C(C)C ZINC000379930486 365742434 /nfs/dbraw/zinc/74/24/34/365742434.db2.gz VXIMJFZKMHSULQ-GFCCVEGCSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[N@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000379930486 365742441 /nfs/dbraw/zinc/74/24/41/365742441.db2.gz VXIMJFZKMHSULQ-GFCCVEGCSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C(C)C ZINC000379930486 365742447 /nfs/dbraw/zinc/74/24/47/365742447.db2.gz VXIMJFZKMHSULQ-GFCCVEGCSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000379930486 365742450 /nfs/dbraw/zinc/74/24/50/365742450.db2.gz VXIMJFZKMHSULQ-GFCCVEGCSA-N 2 1 216.369 1.419 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000379930486 365742463 /nfs/dbraw/zinc/74/24/63/365742463.db2.gz VXIMJFZKMHSULQ-GFCCVEGCSA-N 2 1 216.369 1.419 20 0 BDADMP CC(C)[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335718504 136340463 /nfs/dbraw/zinc/34/04/63/136340463.db2.gz PUHRSNUIIOJHQP-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000082544751 343446879 /nfs/dbraw/zinc/44/68/79/343446879.db2.gz WXPMJPRKELCERN-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP CCOCC[N@@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000082538568 343449419 /nfs/dbraw/zinc/44/94/19/343449419.db2.gz KAFQYHNJVIKBLP-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000167126160 136368290 /nfs/dbraw/zinc/36/82/90/136368290.db2.gz ZBHIFHPBGWIZFP-GMTAPVOTSA-N 2 1 200.326 1.094 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261542345 136374426 /nfs/dbraw/zinc/37/44/26/136374426.db2.gz GSWVJVZDUFGBSN-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CCOCCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000083551594 343490110 /nfs/dbraw/zinc/49/01/10/343490110.db2.gz GBXHOKSBBCGBJL-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP CCOCCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000083551594 343490112 /nfs/dbraw/zinc/49/01/12/343490112.db2.gz GBXHOKSBBCGBJL-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C[C@H]([NH2+]CCOCC1CCC1)c1c[nH+]ccc1N ZINC000584107293 343597420 /nfs/dbraw/zinc/59/74/20/343597420.db2.gz GMZZEGACFILHIH-NSHDSACASA-N 2 1 249.358 1.961 20 0 BDADMP C[C@@H](CCc1ccco1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000049566100 343603065 /nfs/dbraw/zinc/60/30/65/343603065.db2.gz KXGNODCUEVFXEZ-RYUDHWBXSA-N 2 1 240.347 1.113 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000309064538 349829892 /nfs/dbraw/zinc/82/98/92/349829892.db2.gz YOJJJLQBFCOQFU-QWRGUYRKSA-N 2 1 212.337 1.238 20 0 BDADMP COCC1([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000309064538 349829894 /nfs/dbraw/zinc/82/98/94/349829894.db2.gz YOJJJLQBFCOQFU-QWRGUYRKSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CCCOc1ccccc1 ZINC000082594630 133503282 /nfs/dbraw/zinc/50/32/82/133503282.db2.gz NXZRDPVXIQXOAJ-LBPRGKRZSA-N 2 1 222.332 1.735 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCOc1ccccc1 ZINC000082594630 133503283 /nfs/dbraw/zinc/50/32/83/133503283.db2.gz NXZRDPVXIQXOAJ-LBPRGKRZSA-N 2 1 222.332 1.735 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429538485 537807118 /nfs/dbraw/zinc/80/71/18/537807118.db2.gz SVVJTLMQVXFJPC-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336699165 537826849 /nfs/dbraw/zinc/82/68/49/537826849.db2.gz ZSVLZBMRXOLZHG-RWMBFGLXSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336699165 537826858 /nfs/dbraw/zinc/82/68/58/537826858.db2.gz ZSVLZBMRXOLZHG-RWMBFGLXSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCC[C@H]1O ZINC000511606980 529930544 /nfs/dbraw/zinc/93/05/44/529930544.db2.gz QRINWZYJSIESRI-YNEHKIRRSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@H]1O ZINC000511606980 529930545 /nfs/dbraw/zinc/93/05/45/529930545.db2.gz QRINWZYJSIESRI-YNEHKIRRSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[C@H]1O ZINC000511606980 529930547 /nfs/dbraw/zinc/93/05/47/529930547.db2.gz QRINWZYJSIESRI-YNEHKIRRSA-N 2 1 226.364 1.316 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](CC(C)C)C(C)C ZINC000381059543 343919367 /nfs/dbraw/zinc/91/93/67/343919367.db2.gz KNCCAHUOZAKTEY-ZDUSSCGKSA-N 2 1 230.396 1.665 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC(C)C)C(C)C ZINC000381059543 343919369 /nfs/dbraw/zinc/91/93/69/343919369.db2.gz KNCCAHUOZAKTEY-ZDUSSCGKSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC(C)C)C(C)C ZINC000381059543 343919371 /nfs/dbraw/zinc/91/93/71/343919371.db2.gz KNCCAHUOZAKTEY-ZDUSSCGKSA-N 2 1 230.396 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC(C)C)C(C)C ZINC000381059543 343919374 /nfs/dbraw/zinc/91/93/74/343919374.db2.gz KNCCAHUOZAKTEY-ZDUSSCGKSA-N 2 1 230.396 1.665 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000634732761 344107426 /nfs/dbraw/zinc/10/74/26/344107426.db2.gz OHMRNOFZLNSXAX-OLZOCXBDSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1cc(N(C)CC[NH+](C)C)nc(C)[nH+]1 ZINC000080684626 344132687 /nfs/dbraw/zinc/13/26/87/344132687.db2.gz KCNLJKQXMVOWIG-UHFFFAOYSA-N 2 1 208.309 1.091 20 0 BDADMP Cn1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000211853674 344210406 /nfs/dbraw/zinc/21/04/06/344210406.db2.gz XIZGBJFSNSRLSQ-CQSZACIVSA-N 2 1 248.374 1.384 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000086402317 344216797 /nfs/dbraw/zinc/21/67/97/344216797.db2.gz GEUWIUCEQLKVGE-CHWSQXEVSA-N 3 1 225.380 1.332 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328453349 344298523 /nfs/dbraw/zinc/29/85/23/344298523.db2.gz DQZDSIFVFSQFJH-QNWHQSFQSA-N 2 1 226.364 1.207 20 0 BDADMP Cc1cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc(C)[nH+]1 ZINC000634813068 344397400 /nfs/dbraw/zinc/39/74/00/344397400.db2.gz YJGQXJDGQXQPQZ-OLZOCXBDSA-N 2 1 246.358 1.672 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCCCO)CC1 ZINC000042681157 344461679 /nfs/dbraw/zinc/46/16/79/344461679.db2.gz YHJWLBUPJMCHFY-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCCCO)CC1 ZINC000042681157 344461682 /nfs/dbraw/zinc/46/16/82/344461682.db2.gz YHJWLBUPJMCHFY-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP COc1ccc(C[C@H](C)[NH2+]CC[NH3+])cc1OC ZINC000037712671 344572692 /nfs/dbraw/zinc/57/26/92/344572692.db2.gz CDBNLAZIWVXPGU-JTQLQIEISA-N 2 1 238.331 1.183 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CO ZINC000577382995 344526412 /nfs/dbraw/zinc/52/64/12/344526412.db2.gz IMLYCSKVDLUQGK-HUUCEWRRSA-N 2 1 248.370 1.929 20 0 BDADMP COC(=O)CCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152449875 344568610 /nfs/dbraw/zinc/56/86/10/344568610.db2.gz SAEBZPZWYBKAIS-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP COC(=O)CCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152449875 344568611 /nfs/dbraw/zinc/56/86/11/344568611.db2.gz SAEBZPZWYBKAIS-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP COC(=O)CCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152449875 344568612 /nfs/dbraw/zinc/56/86/12/344568612.db2.gz SAEBZPZWYBKAIS-GFCCVEGCSA-N 2 1 242.363 1.213 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000158323462 344596781 /nfs/dbraw/zinc/59/67/81/344596781.db2.gz KRIPSXDDAYIKFF-WCQYABFASA-N 2 1 249.358 1.649 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000158323462 344596783 /nfs/dbraw/zinc/59/67/83/344596783.db2.gz KRIPSXDDAYIKFF-WCQYABFASA-N 2 1 249.358 1.649 20 0 BDADMP CC(C)(C)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049254499 344601352 /nfs/dbraw/zinc/60/13/52/344601352.db2.gz VGNTYXOMQRRHEN-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)(C)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049254499 344601354 /nfs/dbraw/zinc/60/13/54/344601354.db2.gz VGNTYXOMQRRHEN-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccncc1 ZINC000049551911 344652973 /nfs/dbraw/zinc/65/29/73/344652973.db2.gz PGWHDUNEFLMWGT-NSHDSACASA-N 2 1 207.321 1.511 20 0 BDADMP C[NH+]1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000486935605 530050644 /nfs/dbraw/zinc/05/06/44/530050644.db2.gz JNVPJUJAODJTGH-IHWYPQMZSA-N 2 1 231.343 1.779 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000300408972 530057984 /nfs/dbraw/zinc/05/79/84/530057984.db2.gz WMABSQNIQCQQLA-BFHYXJOUSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000300408972 530057985 /nfs/dbraw/zinc/05/79/85/530057985.db2.gz WMABSQNIQCQQLA-BFHYXJOUSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300408972 530057986 /nfs/dbraw/zinc/05/79/86/530057986.db2.gz WMABSQNIQCQQLA-BFHYXJOUSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000300408972 530057987 /nfs/dbraw/zinc/05/79/87/530057987.db2.gz WMABSQNIQCQQLA-BFHYXJOUSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300408972 530057988 /nfs/dbraw/zinc/05/79/88/530057988.db2.gz WMABSQNIQCQQLA-BFHYXJOUSA-N 2 1 237.391 1.297 20 0 BDADMP CCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000050888239 345018726 /nfs/dbraw/zinc/01/87/26/345018726.db2.gz HDJWJMQHMYMVLG-GHMZBOCLSA-N 2 1 202.342 1.077 20 0 BDADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154395742 345030632 /nfs/dbraw/zinc/03/06/32/345030632.db2.gz CIYTYAKMTKEBFK-FRRDWIJNSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154395637 345030813 /nfs/dbraw/zinc/03/08/13/345030813.db2.gz CIYTYAKMTKEBFK-AVGNSLFASA-N 2 1 242.407 1.713 20 0 BDADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000400552528 345045094 /nfs/dbraw/zinc/04/50/94/345045094.db2.gz YCXPPUKZWQLXQP-WOPDTQHZSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000156554820 345175757 /nfs/dbraw/zinc/17/57/57/345175757.db2.gz JDNMREHDHUXTKN-AAVRWANBSA-N 3 1 239.407 1.541 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634995077 345183302 /nfs/dbraw/zinc/18/33/02/345183302.db2.gz UNCQMEKSTMJIAW-KBPBESRZSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)[C@@H](C[NH3+])CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634995077 345183306 /nfs/dbraw/zinc/18/33/06/345183306.db2.gz UNCQMEKSTMJIAW-KBPBESRZSA-N 2 1 239.407 1.293 20 0 BDADMP C([N@H+]1C[C@@H]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634992765 345188235 /nfs/dbraw/zinc/18/82/35/345188235.db2.gz AGXGBLRPLISGCQ-UNTZMWQOSA-N 2 1 206.333 1.470 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998190 345197514 /nfs/dbraw/zinc/19/75/14/345197514.db2.gz CBHBPTDMESUQOY-GZMMTYOYSA-N 2 1 222.336 1.053 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999131 345199053 /nfs/dbraw/zinc/19/90/53/345199053.db2.gz QLGUGBDWRMXHNN-BXKDBHETSA-N 2 1 236.363 1.064 20 0 BDADMP Cn1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000634998009 345202799 /nfs/dbraw/zinc/20/27/99/345202799.db2.gz YKLYKJDYBHDIMH-ZDUSSCGKSA-N 2 1 221.348 1.728 20 0 BDADMP Cn1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000634998009 345202800 /nfs/dbraw/zinc/20/28/00/345202800.db2.gz YKLYKJDYBHDIMH-ZDUSSCGKSA-N 2 1 221.348 1.728 20 0 BDADMP Cc1ncc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)s1 ZINC000635007380 345203594 /nfs/dbraw/zinc/20/35/94/345203594.db2.gz PSUREWVHXQOOEC-HTQZYQBOSA-N 2 1 225.361 1.710 20 0 BDADMP CCC[C@@H](CCO)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000635004287 345207837 /nfs/dbraw/zinc/20/78/37/345207837.db2.gz NXZMJUYKXSSPIN-MNOVXSKESA-N 2 1 237.347 1.696 20 0 BDADMP CC(C)(F)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004828 345208325 /nfs/dbraw/zinc/20/83/25/345208325.db2.gz PYIHSXAEPPMTBR-ULKQDVFKSA-N 2 1 200.301 1.607 20 0 BDADMP COCCCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000158504187 345340707 /nfs/dbraw/zinc/34/07/07/345340707.db2.gz WZLNRDKHBZQDJA-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP COCCCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000158504187 345340709 /nfs/dbraw/zinc/34/07/09/345340709.db2.gz WZLNRDKHBZQDJA-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158634823 345358037 /nfs/dbraw/zinc/35/80/37/345358037.db2.gz OQBXLCQPYUAFCY-YNEHKIRRSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158748904 345373881 /nfs/dbraw/zinc/37/38/81/345373881.db2.gz WRYCUMFPGAYTPL-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158748904 345373883 /nfs/dbraw/zinc/37/38/83/345373883.db2.gz WRYCUMFPGAYTPL-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158748904 345373884 /nfs/dbraw/zinc/37/38/84/345373884.db2.gz WRYCUMFPGAYTPL-ZIAGYGMSSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(O)CCC1 ZINC000133421874 345374382 /nfs/dbraw/zinc/37/43/82/345374382.db2.gz VNLVVVXPBOSUAR-WOPDTQHZSA-N 2 1 226.364 1.220 20 0 BDADMP COc1ccc(CCC[N@H+](C)CC[NH3+])cc1 ZINC000159051283 345403789 /nfs/dbraw/zinc/40/37/89/345403789.db2.gz VCFOIXZNCULVIA-UHFFFAOYSA-N 2 1 222.332 1.518 20 0 BDADMP COc1ccc(CCC[N@@H+](C)CC[NH3+])cc1 ZINC000159051283 345403790 /nfs/dbraw/zinc/40/37/90/345403790.db2.gz VCFOIXZNCULVIA-UHFFFAOYSA-N 2 1 222.332 1.518 20 0 BDADMP c1ccc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107572924 345536144 /nfs/dbraw/zinc/53/61/44/345536144.db2.gz ICDOWQIHFLZQNB-CHWSQXEVSA-N 2 1 232.327 1.217 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091334575 345591070 /nfs/dbraw/zinc/59/10/70/345591070.db2.gz MKCJKCOLYNMPFS-CABCVRRESA-N 2 1 248.370 1.650 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641709973 362616853 /nfs/dbraw/zinc/61/68/53/362616853.db2.gz KIVGMJAAZQJMFY-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641709973 362616858 /nfs/dbraw/zinc/61/68/58/362616858.db2.gz KIVGMJAAZQJMFY-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641707499 362618489 /nfs/dbraw/zinc/61/84/89/362618489.db2.gz FAKXOWCIMZXYKH-LLVKDONJSA-N 2 1 234.347 1.095 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641707499 362618491 /nfs/dbraw/zinc/61/84/91/362618491.db2.gz FAKXOWCIMZXYKH-LLVKDONJSA-N 2 1 234.347 1.095 20 0 BDADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000248836732 345717527 /nfs/dbraw/zinc/71/75/27/345717527.db2.gz DFIAOTSRUDMDDJ-RYUDHWBXSA-N 2 1 241.379 1.104 20 0 BDADMP Cn1cc(C[C@@H]2CC[N@@H+](CC(C)(C)[NH3+])C2)cn1 ZINC000563137706 323094776 /nfs/dbraw/zinc/09/47/76/323094776.db2.gz JGTAOEAJDGXJQL-NSHDSACASA-N 2 1 236.363 1.022 20 0 BDADMP C[N@H+](CC(=O)NCc1cnc[nH]1)CC(C)(C)C ZINC000635588518 345882607 /nfs/dbraw/zinc/88/26/07/345882607.db2.gz GMNQWTUOYATKMO-UHFFFAOYSA-N 2 1 238.335 1.004 20 0 BDADMP C[N@@H+](CC(=O)NCc1cnc[nH]1)CC(C)(C)C ZINC000635588518 345882609 /nfs/dbraw/zinc/88/26/09/345882609.db2.gz GMNQWTUOYATKMO-UHFFFAOYSA-N 2 1 238.335 1.004 20 0 BDADMP Cc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)nc(C)[nH+]1 ZINC000439663737 537947831 /nfs/dbraw/zinc/94/78/31/537947831.db2.gz SWFNGXZUEQGBKF-RYUDHWBXSA-N 2 1 234.347 1.988 20 0 BDADMP CC[C@@H](C[NH2+]CC[NH2+]C)c1ccccc1 ZINC000161242330 346164687 /nfs/dbraw/zinc/16/46/87/346164687.db2.gz UXXBVDGGAAAQAT-LBPRGKRZSA-N 2 1 206.333 1.989 20 0 BDADMP CC(C)OCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397392269 323108166 /nfs/dbraw/zinc/10/81/66/323108166.db2.gz NZGPOMKLSBCKGI-XQQFMLRXSA-N 2 1 228.380 1.717 20 0 BDADMP C[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901338 346254743 /nfs/dbraw/zinc/25/47/43/346254743.db2.gz QVDOGJPTCIERHN-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP C[N@@H+](CCCNC(=O)CC[NH3+])C1CCCCC1 ZINC000037901330 346255835 /nfs/dbraw/zinc/25/58/35/346255835.db2.gz ZCFDBOSKEKTRDA-UHFFFAOYSA-N 2 1 241.379 1.106 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000624110464 346265984 /nfs/dbraw/zinc/26/59/84/346265984.db2.gz ZKEUZGOPVMAZDY-HZSPNIEDSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000624110464 346265989 /nfs/dbraw/zinc/26/59/89/346265989.db2.gz ZKEUZGOPVMAZDY-HZSPNIEDSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1ccncc1N ZINC000641737458 362664497 /nfs/dbraw/zinc/66/44/97/362664497.db2.gz VXBBVZUUFQGYAW-HZMBPMFUSA-N 2 1 246.358 1.236 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1ccncc1N ZINC000641737458 362664505 /nfs/dbraw/zinc/66/45/05/362664505.db2.gz VXBBVZUUFQGYAW-HZMBPMFUSA-N 2 1 246.358 1.236 20 0 BDADMP C[N@@H+](CCCC[NH2+]Cc1ccncc1N)C1CC1 ZINC000641760018 362691518 /nfs/dbraw/zinc/69/15/18/362691518.db2.gz LNGSUFJVLRYRAN-UHFFFAOYSA-N 2 1 248.374 1.628 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000641798005 362738280 /nfs/dbraw/zinc/73/82/80/362738280.db2.gz GMIBDEGLJNSWGR-CYBMUJFWSA-N 2 1 237.347 1.716 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000641798005 362738284 /nfs/dbraw/zinc/73/82/84/362738284.db2.gz GMIBDEGLJNSWGR-CYBMUJFWSA-N 2 1 237.347 1.716 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641799718 362747932 /nfs/dbraw/zinc/74/79/32/362747932.db2.gz PVYJJLDEDBEYJP-ZDUSSCGKSA-N 2 1 234.347 1.028 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803938 362761864 /nfs/dbraw/zinc/76/18/64/362761864.db2.gz WEZJPDOKIJIBME-NEPJUHHUSA-N 3 1 236.363 1.297 20 0 BDADMP CCCc1[nH+]ccn1CC1CC[NH2+]CC1 ZINC000069964103 349970356 /nfs/dbraw/zinc/97/03/56/349970356.db2.gz HFAUGIVHPPFINW-UHFFFAOYSA-N 2 1 207.321 1.835 20 0 BDADMP CC[N@@H+]1CCC[C@H]1CN[C@H]1CCCc2n[nH]cc21 ZINC000375854274 346565965 /nfs/dbraw/zinc/56/59/65/346565965.db2.gz SVHHMTRIDNAMGE-AAEUAGOBSA-N 2 1 248.374 1.861 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CCCc2n[nH]cc21 ZINC000375854274 346565968 /nfs/dbraw/zinc/56/59/68/346565968.db2.gz SVHHMTRIDNAMGE-AAEUAGOBSA-N 2 1 248.374 1.861 20 0 BDADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641807850 362766729 /nfs/dbraw/zinc/76/67/29/362766729.db2.gz SHDIKDOKUHPKGR-NAKRPEOUSA-N 2 1 241.379 1.005 20 0 BDADMP CCSCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000158568139 346577589 /nfs/dbraw/zinc/57/75/89/346577589.db2.gz LDOHIYUXQFNKMN-SNVBAGLBSA-N 2 1 202.367 1.553 20 0 BDADMP CCSCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000158568139 346577591 /nfs/dbraw/zinc/57/75/91/346577591.db2.gz LDOHIYUXQFNKMN-SNVBAGLBSA-N 2 1 202.367 1.553 20 0 BDADMP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000037256234 346679629 /nfs/dbraw/zinc/67/96/29/346679629.db2.gz JTAFKQVULXAHKU-QWHCGFSZSA-N 2 1 226.364 1.628 20 0 BDADMP CC[N@H+]1CC[C@H](NCc2c[nH]c3nccnc23)C1 ZINC000577161433 365848223 /nfs/dbraw/zinc/84/82/23/365848223.db2.gz RIWMNJUOTZIZRV-NSHDSACASA-N 2 1 245.330 1.093 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2nccn21 ZINC000577191631 365870147 /nfs/dbraw/zinc/87/01/47/365870147.db2.gz RITUCCYQHMSITM-KXNHARMFSA-N 2 1 234.347 1.748 20 0 BDADMP [NH3+][C@H]1CCCCC[N@H+](CCc2cn[nH]c2)C1 ZINC000641824656 362774202 /nfs/dbraw/zinc/77/42/02/362774202.db2.gz WPAIVGVSPBWREI-LBPRGKRZSA-N 2 1 222.336 1.156 20 0 BDADMP [NH3+][C@H]1CCCCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000641824656 362774206 /nfs/dbraw/zinc/77/42/06/362774206.db2.gz WPAIVGVSPBWREI-LBPRGKRZSA-N 2 1 222.336 1.156 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@@H](N)C[C@@H]1C ZINC000601329063 347217775 /nfs/dbraw/zinc/21/77/75/347217775.db2.gz DOOPZLGPUJLQQI-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@@H](N)C[C@@H]1C ZINC000601329063 347217777 /nfs/dbraw/zinc/21/77/77/347217777.db2.gz DOOPZLGPUJLQQI-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601329063 347217780 /nfs/dbraw/zinc/21/77/80/347217780.db2.gz DOOPZLGPUJLQQI-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601329063 347217782 /nfs/dbraw/zinc/21/77/82/347217782.db2.gz DOOPZLGPUJLQQI-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250491463 362806409 /nfs/dbraw/zinc/80/64/09/362806409.db2.gz YDOBYDVGFJQPKW-PIGZVRMJSA-N 2 1 238.375 1.770 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000082366158 347361491 /nfs/dbraw/zinc/36/14/91/347361491.db2.gz MZGSSKDKZXXLQK-CYBMUJFWSA-N 2 1 219.332 1.785 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336556492 179375188 /nfs/dbraw/zinc/37/51/88/179375188.db2.gz CAVXWLPTKPPKRB-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336556492 179375191 /nfs/dbraw/zinc/37/51/91/179375191.db2.gz CAVXWLPTKPPKRB-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)O1 ZINC000251694543 362899621 /nfs/dbraw/zinc/89/96/21/362899621.db2.gz HJFQXFQBAMJLED-WISYIIOYSA-N 2 1 212.337 1.223 20 0 BDADMP CCOC(=O)CCCCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595899314 348394708 /nfs/dbraw/zinc/39/47/08/348394708.db2.gz RRXBRHARZZBGIJ-UHFFFAOYSA-N 2 1 244.379 1.779 20 0 BDADMP C[C@H](C[NH2+]Cc1cnc(C2CC2)nc1)C[NH+](C)C ZINC000419741388 192143937 /nfs/dbraw/zinc/14/39/37/192143937.db2.gz CJYZWNFIFDSAMI-LLVKDONJSA-N 2 1 248.374 1.641 20 0 BDADMP CCSC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000596654225 348607809 /nfs/dbraw/zinc/60/78/09/348607809.db2.gz YUDDCIVKAANQCR-QWRGUYRKSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000308799831 348642614 /nfs/dbraw/zinc/64/26/14/348642614.db2.gz ADKTYLHLXNUKQC-IJLUTSLNSA-N 2 1 228.405 1.669 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250627785 349177243 /nfs/dbraw/zinc/17/72/43/349177243.db2.gz QNHGDAWSKDRIJP-MCIONIFRSA-N 3 1 239.407 1.435 20 0 BDADMP C[N@@H+]1CCC[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250627785 349177245 /nfs/dbraw/zinc/17/72/45/349177245.db2.gz QNHGDAWSKDRIJP-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250627785 349177248 /nfs/dbraw/zinc/17/72/48/349177248.db2.gz QNHGDAWSKDRIJP-MCIONIFRSA-N 2 1 239.407 1.435 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000249103386 349155343 /nfs/dbraw/zinc/15/53/43/349155343.db2.gz VADRAAFRJVPMJX-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1 ZINC000383641612 349228870 /nfs/dbraw/zinc/22/88/70/349228870.db2.gz ZXUITKBGTRERJP-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000383641612 349228873 /nfs/dbraw/zinc/22/88/73/349228873.db2.gz ZXUITKBGTRERJP-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000383641612 349228877 /nfs/dbraw/zinc/22/88/77/349228877.db2.gz ZXUITKBGTRERJP-KBPBESRZSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@H+](C)C[C@@H](O)Cn1c[nH+]c2c1CCCC2 ZINC000383641281 349229255 /nfs/dbraw/zinc/22/92/55/349229255.db2.gz ZWIQTSQRIYECJC-LLVKDONJSA-N 2 1 237.347 1.075 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2c1CCCC2 ZINC000383641281 349229258 /nfs/dbraw/zinc/22/92/58/349229258.db2.gz ZWIQTSQRIYECJC-LLVKDONJSA-N 2 1 237.347 1.075 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000252107202 349195977 /nfs/dbraw/zinc/19/59/77/349195977.db2.gz JBNHFINFLAHDBS-CRWXNKLISA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1C ZINC000308996364 349267302 /nfs/dbraw/zinc/26/73/02/349267302.db2.gz JZQAAJPNBCEYBT-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1C ZINC000308996364 349267303 /nfs/dbraw/zinc/26/73/03/349267303.db2.gz JZQAAJPNBCEYBT-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000308996364 349267305 /nfs/dbraw/zinc/26/73/05/349267305.db2.gz JZQAAJPNBCEYBT-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000308996364 349267306 /nfs/dbraw/zinc/26/73/06/349267306.db2.gz JZQAAJPNBCEYBT-UTUOFQBUSA-N 2 1 214.353 1.029 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)CC1(C)C ZINC000623527928 362948163 /nfs/dbraw/zinc/94/81/63/362948163.db2.gz OJCICGLPSVUNQX-LBPRGKRZSA-N 2 1 236.363 1.415 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCc2ccccc2CC1 ZINC000070652850 350039481 /nfs/dbraw/zinc/03/94/81/350039481.db2.gz GWMGKMFHGIXOJD-NSHDSACASA-N 2 1 204.317 1.434 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000380981719 350099150 /nfs/dbraw/zinc/09/91/50/350099150.db2.gz ITIDZTSXYOREJT-PWSUYJOCSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000380981719 350099152 /nfs/dbraw/zinc/09/91/52/350099152.db2.gz ITIDZTSXYOREJT-PWSUYJOCSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)O ZINC000357799202 191023745 /nfs/dbraw/zinc/02/37/45/191023745.db2.gz IWUMLCXWDMCLMB-UPJWGTAASA-N 2 1 242.407 1.854 20 0 BDADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)O ZINC000357799202 191023747 /nfs/dbraw/zinc/02/37/47/191023747.db2.gz IWUMLCXWDMCLMB-UPJWGTAASA-N 2 1 242.407 1.854 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422730173 192446061 /nfs/dbraw/zinc/44/60/61/192446061.db2.gz LSJXDBMHAIJMDH-NEPJUHHUSA-N 3 1 215.385 1.434 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CO)CC[N@H+]1C ZINC000128103672 490346816 /nfs/dbraw/zinc/34/68/16/490346816.db2.gz DDLJTLGMHUWVTI-QWRGUYRKSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133524483 191040962 /nfs/dbraw/zinc/04/09/62/191040962.db2.gz PTJYATGIGQCPLR-AGIUHOORSA-N 2 1 228.380 1.466 20 0 BDADMP Cc1ncc(CN[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000228820937 180159247 /nfs/dbraw/zinc/15/92/47/180159247.db2.gz QUCWNSDSLGARLC-SKDRFNHKSA-N 2 1 239.388 1.881 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCN(C)C[C@H]2C)s1 ZINC000228820937 180159250 /nfs/dbraw/zinc/15/92/50/180159250.db2.gz QUCWNSDSLGARLC-SKDRFNHKSA-N 2 1 239.388 1.881 20 0 BDADMP Cc1ncc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000040997861 180150797 /nfs/dbraw/zinc/15/07/97/180150797.db2.gz ABOUOXAXDWSXTQ-UHFFFAOYSA-N 2 1 211.334 1.293 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000221909644 350225864 /nfs/dbraw/zinc/22/58/64/350225864.db2.gz CQUOTEQPPQICLN-UONOGXRCSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221909644 350225867 /nfs/dbraw/zinc/22/58/67/350225867.db2.gz CQUOTEQPPQICLN-UONOGXRCSA-N 2 1 241.423 1.789 20 0 BDADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221909644 350225870 /nfs/dbraw/zinc/22/58/70/350225870.db2.gz CQUOTEQPPQICLN-UONOGXRCSA-N 2 1 241.423 1.789 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)C1 ZINC000270689893 180239217 /nfs/dbraw/zinc/23/92/17/180239217.db2.gz WBFYZFJKWLEGGH-NSHDSACASA-N 2 1 207.321 1.923 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)C1 ZINC000270689893 180239219 /nfs/dbraw/zinc/23/92/19/180239219.db2.gz WBFYZFJKWLEGGH-NSHDSACASA-N 2 1 207.321 1.923 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]12CCOC2 ZINC000370738112 180239326 /nfs/dbraw/zinc/23/93/26/180239326.db2.gz HRWGTMDEXWCNLF-CQSZACIVSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]12CCOC2 ZINC000370738112 180239328 /nfs/dbraw/zinc/23/93/28/180239328.db2.gz HRWGTMDEXWCNLF-CQSZACIVSA-N 2 1 249.358 1.837 20 0 BDADMP Cc1ncccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336450921 180220171 /nfs/dbraw/zinc/22/01/71/180220171.db2.gz QHMGQYNENNZWPT-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ncccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336450921 180220173 /nfs/dbraw/zinc/22/01/73/180220173.db2.gz QHMGQYNENNZWPT-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336450921 180220176 /nfs/dbraw/zinc/22/01/76/180220176.db2.gz QHMGQYNENNZWPT-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336450921 180220179 /nfs/dbraw/zinc/22/01/79/180220179.db2.gz QHMGQYNENNZWPT-OAHLLOKOSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](O)C1 ZINC000305153023 180234288 /nfs/dbraw/zinc/23/42/88/180234288.db2.gz AYQQJPJSUPSTTD-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](O)C1 ZINC000305153023 180234289 /nfs/dbraw/zinc/23/42/89/180234289.db2.gz AYQQJPJSUPSTTD-ZDUSSCGKSA-N 2 1 237.347 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCO ZINC000276398688 180235404 /nfs/dbraw/zinc/23/54/04/180235404.db2.gz OEGASRNUDAYJHM-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCO ZINC000276398688 180235406 /nfs/dbraw/zinc/23/54/06/180235406.db2.gz OEGASRNUDAYJHM-UHFFFAOYSA-N 2 1 225.336 1.286 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cn[nH]c1 ZINC000298224896 180237964 /nfs/dbraw/zinc/23/79/64/180237964.db2.gz ASDVBRAOHBXFCP-UHFFFAOYSA-N 2 1 247.346 1.479 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cn[nH]c1 ZINC000298224896 180237986 /nfs/dbraw/zinc/23/79/86/180237986.db2.gz ASDVBRAOHBXFCP-UHFFFAOYSA-N 2 1 247.346 1.479 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000336683855 180238990 /nfs/dbraw/zinc/23/89/90/180238990.db2.gz SZIPPNWORFQCEW-JQWIXIFHSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000336683855 180238992 /nfs/dbraw/zinc/23/89/92/180238992.db2.gz SZIPPNWORFQCEW-JQWIXIFHSA-N 2 1 223.320 1.037 20 0 BDADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623534056 362951855 /nfs/dbraw/zinc/95/18/55/362951855.db2.gz VRMCXOWWFYSXEE-NWDGAFQWSA-N 2 1 242.407 1.998 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C1CCOCC1 ZINC000336681777 180245935 /nfs/dbraw/zinc/24/59/35/180245935.db2.gz DBMFNYUXRCXWBK-UHFFFAOYSA-N 2 1 223.320 1.350 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](CO)CC(C)C ZINC000360495502 180251308 /nfs/dbraw/zinc/25/13/08/180251308.db2.gz MCCVYXWLWYGURO-ZDUSSCGKSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](CO)CC(C)C ZINC000360495502 180251309 /nfs/dbraw/zinc/25/13/09/180251309.db2.gz MCCVYXWLWYGURO-ZDUSSCGKSA-N 2 1 239.363 1.530 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352664513 180252390 /nfs/dbraw/zinc/25/23/90/180252390.db2.gz CCMJPBSINMQLIO-NEPJUHHUSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352664513 180252393 /nfs/dbraw/zinc/25/23/93/180252393.db2.gz CCMJPBSINMQLIO-NEPJUHHUSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](O)C1 ZINC000269717632 180241776 /nfs/dbraw/zinc/24/17/76/180241776.db2.gz SGAHLIUYGTVCKE-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](O)C1 ZINC000269717632 180241779 /nfs/dbraw/zinc/24/17/79/180241779.db2.gz SGAHLIUYGTVCKE-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365853447 180242194 /nfs/dbraw/zinc/24/21/94/180242194.db2.gz CNPXVZSXGPUMDD-AWEZNQCLSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365853447 180242198 /nfs/dbraw/zinc/24/21/98/180242198.db2.gz CNPXVZSXGPUMDD-AWEZNQCLSA-N 2 1 249.358 1.428 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000223059994 180261366 /nfs/dbraw/zinc/26/13/66/180261366.db2.gz BKABYMFYOFVAMH-JQWIXIFHSA-N 2 1 223.320 1.349 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCOC[C@H]1C ZINC000277519217 180262324 /nfs/dbraw/zinc/26/23/24/180262324.db2.gz QRNFFFVKKADXAW-PWSUYJOCSA-N 2 1 223.320 1.206 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCSC1 ZINC000223006869 180263462 /nfs/dbraw/zinc/26/34/62/180263462.db2.gz QBOLXINXVQFUIM-JTQLQIEISA-N 2 1 211.334 1.287 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccn(C)n1 ZINC000264362192 180265827 /nfs/dbraw/zinc/26/58/27/180265827.db2.gz IZDDVCFYAVIRRI-NSHDSACASA-N 2 1 247.346 1.351 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnn1C ZINC000177557464 180267209 /nfs/dbraw/zinc/26/72/09/180267209.db2.gz CUVRLDKGTXCQRB-LLVKDONJSA-N 2 1 247.346 1.351 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000275818107 180282788 /nfs/dbraw/zinc/28/27/88/180282788.db2.gz GCSMTMCUBPDSBK-LBPRGKRZSA-N 2 1 246.358 1.698 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000328166087 350376978 /nfs/dbraw/zinc/37/69/78/350376978.db2.gz IXJMVKMMLOXKKG-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP Cc1ncsc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291712496 180319450 /nfs/dbraw/zinc/31/94/50/180319450.db2.gz LOTYTXBBCPMHRV-SECBINFHSA-N 2 1 227.377 1.739 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000226537170 490521717 /nfs/dbraw/zinc/52/17/17/490521717.db2.gz JEGXPSBYVOLSBK-SDDRHHMPSA-N 2 1 219.332 1.812 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC[C@H](C)O2)CC1 ZINC000336696141 350452043 /nfs/dbraw/zinc/45/20/43/350452043.db2.gz QGQMPMSAAGYZKI-GXTWGEPZSA-N 2 1 240.391 1.970 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC[C@H](C)O2)CC1 ZINC000336696141 350452044 /nfs/dbraw/zinc/45/20/44/350452044.db2.gz QGQMPMSAAGYZKI-GXTWGEPZSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000163356832 350518651 /nfs/dbraw/zinc/51/86/51/350518651.db2.gz ZILMTXOBIKHCSQ-KXNHARMFSA-N 2 1 226.364 1.076 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2COCC2(C)C)CC1(C)C ZINC000623541684 362960037 /nfs/dbraw/zinc/96/00/37/362960037.db2.gz TWFZMRDYPGWJTN-VXGBXAGGSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000163356832 350518649 /nfs/dbraw/zinc/51/86/49/350518649.db2.gz ZILMTXOBIKHCSQ-KXNHARMFSA-N 2 1 226.364 1.076 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)CC1(C)C ZINC000623545235 362964887 /nfs/dbraw/zinc/96/48/87/362964887.db2.gz CBZGSMRXIRICSH-QJPTWQEYSA-N 2 1 226.364 1.362 20 0 BDADMP C(C1CC1)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@@H]2C1 ZINC000361303307 191117748 /nfs/dbraw/zinc/11/77/48/191117748.db2.gz HSSLLSURFGAWNQ-MELADBBJSA-N 2 1 220.360 1.813 20 0 BDADMP C(C1CC1)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@@H]2C1 ZINC000361303307 191117750 /nfs/dbraw/zinc/11/77/50/191117750.db2.gz HSSLLSURFGAWNQ-MELADBBJSA-N 2 1 220.360 1.813 20 0 BDADMP C(C1CC1)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@@H]2C1 ZINC000361303307 191117752 /nfs/dbraw/zinc/11/77/52/191117752.db2.gz HSSLLSURFGAWNQ-MELADBBJSA-N 2 1 220.360 1.813 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C)O2)CC[C@H]1[NH3+] ZINC000251865289 350905822 /nfs/dbraw/zinc/90/58/22/350905822.db2.gz TZBXVQJDUAHLEG-QNWHQSFQSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336688917 350964924 /nfs/dbraw/zinc/96/49/24/350964924.db2.gz VWZOYSMGDIHXLN-RWMBFGLXSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CC1)CC1CCOCC1 ZINC000414791157 351773019 /nfs/dbraw/zinc/77/30/19/351773019.db2.gz AZLFGFYGXZOVJF-SMDDNHRTSA-N 2 1 240.391 1.766 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000577839675 366078772 /nfs/dbraw/zinc/07/87/72/366078772.db2.gz GPZASPUGJLPZPT-CHWSQXEVSA-N 2 1 225.380 1.236 20 0 BDADMP C(C[C@H]1CCO1)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638088700 351967264 /nfs/dbraw/zinc/96/72/64/351967264.db2.gz FXSFHJAXVMIFQE-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP C(C[C@H]1CCO1)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638088700 351967266 /nfs/dbraw/zinc/96/72/66/351967266.db2.gz FXSFHJAXVMIFQE-RWMBFGLXSA-N 2 1 224.348 1.239 20 0 BDADMP COc1cccc(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000638186117 352051366 /nfs/dbraw/zinc/05/13/66/352051366.db2.gz LMABMHSSMVOWAL-STQMWFEESA-N 2 1 246.354 1.655 20 0 BDADMP CCc1nc(N2CC[C@H](C[NH+](C)C)C2)cc(C)[nH+]1 ZINC000287442615 352126349 /nfs/dbraw/zinc/12/63/49/352126349.db2.gz RFAKLFQWXVKNCI-GFCCVEGCSA-N 2 1 248.374 1.735 20 0 BDADMP C[NH+]1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638305125 352135719 /nfs/dbraw/zinc/13/57/19/352135719.db2.gz ZPUKEBCATDXQMA-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]CCC[C@@H]1CCO1 ZINC000638337399 352155946 /nfs/dbraw/zinc/15/59/46/352155946.db2.gz FXPBUQUCEVHBLO-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CO[C@@]1(C[NH2+]CCC[N@@H+](C)C(C)C)CCOC1 ZINC000638337195 352156196 /nfs/dbraw/zinc/15/61/96/352156196.db2.gz CQTIDRWAEVRHHP-CYBMUJFWSA-N 2 1 244.379 1.112 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000638381347 352193469 /nfs/dbraw/zinc/19/34/69/352193469.db2.gz KIWYSVDBZDIRDN-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[C@H](C[NH2+]CCCn1cc[nH+]c1C)OC ZINC000638384408 352195071 /nfs/dbraw/zinc/19/50/71/352195071.db2.gz ADDKMFYKRFFGQJ-CYBMUJFWSA-N 2 1 239.363 1.986 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000037154802 358468497 /nfs/dbraw/zinc/46/84/97/358468497.db2.gz AZNJFYSSBBEBFR-LBPRGKRZSA-N 2 1 236.363 1.346 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCC2(O)CCC2)CC[N@@H+]1C ZINC000411116288 191159492 /nfs/dbraw/zinc/15/94/92/191159492.db2.gz RJEYHATXRRXAGB-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCC2(O)CCC2)CC[N@H+]1C ZINC000411116288 191159494 /nfs/dbraw/zinc/15/94/94/191159494.db2.gz RJEYHATXRRXAGB-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCC2(O)CCC2)CC[NH+]1C ZINC000411116288 191159495 /nfs/dbraw/zinc/15/94/95/191159495.db2.gz RJEYHATXRRXAGB-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2(O)CCC2)CC[NH+]1C ZINC000411116288 191159497 /nfs/dbraw/zinc/15/94/97/191159497.db2.gz RJEYHATXRRXAGB-STQMWFEESA-N 2 1 240.391 1.706 20 0 BDADMP CCOC1CC(C[NH2+]CCn2cc[nH+]c2C)C1 ZINC000638463640 352276039 /nfs/dbraw/zinc/27/60/39/352276039.db2.gz WNYFXCVYEIODNW-UHFFFAOYSA-N 2 1 237.347 1.596 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1N ZINC000638466246 352277732 /nfs/dbraw/zinc/27/77/32/352277732.db2.gz IGTBRLVMHIDKHI-SNVBAGLBSA-N 2 1 239.338 1.838 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261589649 535177644 /nfs/dbraw/zinc/17/76/44/535177644.db2.gz UAFWAMOFMXWPNY-AVGNSLFASA-N 2 1 226.364 1.328 20 0 BDADMP Cc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1F ZINC000415011568 352546497 /nfs/dbraw/zinc/54/64/97/352546497.db2.gz QSTIOKFLYWBPCL-VHSXEESVSA-N 2 1 210.296 1.959 20 0 BDADMP C[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694303 352604053 /nfs/dbraw/zinc/60/40/53/352604053.db2.gz BWVYUILMSCUBKT-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000043427982 352637314 /nfs/dbraw/zinc/63/73/14/352637314.db2.gz MHOUGEHWPNWNGU-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000043427982 352637316 /nfs/dbraw/zinc/63/73/16/352637316.db2.gz MHOUGEHWPNWNGU-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP COC1([C@@H](C)[NH2+]CCn2cc[nH+]c2C)CCC1 ZINC000412019282 191237055 /nfs/dbraw/zinc/23/70/55/191237055.db2.gz DYRVMBYKXLADOI-LLVKDONJSA-N 2 1 237.347 1.739 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000412079249 191253839 /nfs/dbraw/zinc/25/38/39/191253839.db2.gz LCEIAKSSWIXSJR-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000412079249 191253840 /nfs/dbraw/zinc/25/38/40/191253840.db2.gz LCEIAKSSWIXSJR-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1[C@@H](CO)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000412079249 191253843 /nfs/dbraw/zinc/25/38/43/191253843.db2.gz LCEIAKSSWIXSJR-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCn3cccn3)C2)C1 ZINC000334216918 352817131 /nfs/dbraw/zinc/81/71/31/352817131.db2.gz GPRKWYUIOUKXCZ-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCn3cccn3)C2)C1 ZINC000334216918 352817134 /nfs/dbraw/zinc/81/71/34/352817134.db2.gz GPRKWYUIOUKXCZ-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3cccn3)C2)C1 ZINC000334216918 352817136 /nfs/dbraw/zinc/81/71/36/352817136.db2.gz GPRKWYUIOUKXCZ-CQSZACIVSA-N 2 1 248.374 1.301 20 0 BDADMP C[N@@H+]1C[C@H]2CN(Cc3cncc(F)c3)C[C@H]2C1 ZINC000334281466 352921668 /nfs/dbraw/zinc/92/16/68/352921668.db2.gz SLNURAJOUGKXEU-TXEJJXNPSA-N 2 1 235.306 1.214 20 0 BDADMP C[C@H]1CC[N@H+](CC[NH2+]CCC2CCOCC2)C1 ZINC000638871999 353042681 /nfs/dbraw/zinc/04/26/81/353042681.db2.gz PIRWCYCWFLXOCZ-ZDUSSCGKSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@H]1CC[N@@H+](CC[NH2+]CCC2CCOCC2)C1 ZINC000638871999 353042684 /nfs/dbraw/zinc/04/26/84/353042684.db2.gz PIRWCYCWFLXOCZ-ZDUSSCGKSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC[C@H]3CCO3)[C@@H]2C1 ZINC000638917216 353081097 /nfs/dbraw/zinc/08/10/97/353081097.db2.gz CTUAHXPXEFCCEE-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC[C@H]3CCO3)[C@@H]2C1 ZINC000638917216 353081099 /nfs/dbraw/zinc/08/10/99/353081099.db2.gz CTUAHXPXEFCCEE-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC[C@H]3CCO3)[C@@H]2C1 ZINC000638917216 353081102 /nfs/dbraw/zinc/08/11/02/353081102.db2.gz CTUAHXPXEFCCEE-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC[C@H]3CCO3)[C@@H]2C1 ZINC000638917216 353081104 /nfs/dbraw/zinc/08/11/04/353081104.db2.gz CTUAHXPXEFCCEE-HZSPNIEDSA-N 2 1 238.375 1.582 20 0 BDADMP CC[C@](C)(C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21)OC ZINC000638918767 353082946 /nfs/dbraw/zinc/08/29/46/353082946.db2.gz TWFGPDYOHGTXES-HZSPNIEDSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)CC[NH2+]1 ZINC000414960675 259435750 /nfs/dbraw/zinc/43/57/50/259435750.db2.gz YHPKBOUPCUYHMF-CMPLNLGQSA-N 2 1 248.326 1.645 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC000252862672 353312320 /nfs/dbraw/zinc/31/23/20/353312320.db2.gz ODVDMYXIPXTOQR-AAVRWANBSA-N 2 1 238.375 1.615 20 0 BDADMP C([C@H]1CCCOC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252691737 353303551 /nfs/dbraw/zinc/30/35/51/353303551.db2.gz YXAHWBPOZOXUKX-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252691737 353303555 /nfs/dbraw/zinc/30/35/55/353303555.db2.gz YXAHWBPOZOXUKX-UPJWGTAASA-N 2 1 224.348 1.239 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453094077 324142877 /nfs/dbraw/zinc/14/28/77/324142877.db2.gz GKZAKZLNVHUECQ-ZIAGYGMSSA-N 2 1 240.391 1.467 20 0 BDADMP C[NH+](C)C[C@](C)(O)CNc1[nH]c2ccccc2[nH+]1 ZINC000230489032 353500026 /nfs/dbraw/zinc/50/00/26/353500026.db2.gz OQMYKMPDMLBOCS-CYBMUJFWSA-N 2 1 248.330 1.287 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000639105327 353603035 /nfs/dbraw/zinc/60/30/35/353603035.db2.gz FWPPNHFWPYZJHI-WCQYABFASA-N 2 1 249.358 1.460 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000193309782 353589604 /nfs/dbraw/zinc/58/96/04/353589604.db2.gz DFIAOTSRUDMDDJ-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000232663759 353752862 /nfs/dbraw/zinc/75/28/62/353752862.db2.gz KYZHLJMLJQLVOZ-OLZOCXBDSA-N 2 1 228.380 1.718 20 0 BDADMP Fc1ccccc1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324071 181011129 /nfs/dbraw/zinc/01/11/29/181011129.db2.gz UGNVSHCIJOQMFF-LBPRGKRZSA-N 2 1 222.307 1.710 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000343515058 353925513 /nfs/dbraw/zinc/92/55/13/353925513.db2.gz SXICLDPRJAEKNB-XUJVJEKNSA-N 2 1 248.370 1.747 20 0 BDADMP CO[C@@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000393861535 353969302 /nfs/dbraw/zinc/96/93/02/353969302.db2.gz IPMZUTZLBWHWPK-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CC1(C)COC1)CC2 ZINC000343751142 353972590 /nfs/dbraw/zinc/97/25/90/353972590.db2.gz ONGYHJREXZNDFS-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1C[NH+](C)C[C@H]1C ZINC000343987616 354061620 /nfs/dbraw/zinc/06/16/20/354061620.db2.gz OCQQGRMSXLJXLU-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000343987616 354061625 /nfs/dbraw/zinc/06/16/25/354061625.db2.gz OCQQGRMSXLJXLU-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000343987616 354061627 /nfs/dbraw/zinc/06/16/27/354061627.db2.gz OCQQGRMSXLJXLU-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000344068297 354131299 /nfs/dbraw/zinc/13/12/99/354131299.db2.gz VGXPXKODCKVSGM-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000344068297 354131302 /nfs/dbraw/zinc/13/13/02/354131302.db2.gz VGXPXKODCKVSGM-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344068297 354131303 /nfs/dbraw/zinc/13/13/03/354131303.db2.gz VGXPXKODCKVSGM-MELADBBJSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344029799 354092233 /nfs/dbraw/zinc/09/22/33/354092233.db2.gz AVPNDGJKVNVBHE-ZDUSSCGKSA-N 2 1 229.412 1.600 20 0 BDADMP CCN1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@@H](C)C1 ZINC000344304467 354215215 /nfs/dbraw/zinc/21/52/15/354215215.db2.gz UKIMGRNKFYCXTD-JSGCOSHPSA-N 2 1 237.391 1.178 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@H](C)C1 ZINC000344511177 354291381 /nfs/dbraw/zinc/29/13/81/354291381.db2.gz IINBRCMIBPJHGX-OCCSQVGLSA-N 2 1 238.375 1.653 20 0 BDADMP N[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000334616500 354303611 /nfs/dbraw/zinc/30/36/11/354303611.db2.gz QDCAIYHVIIFWKU-FIYWTHMPSA-N 2 1 225.380 1.363 20 0 BDADMP Cc1cn2c([nH+]1)CC[C@@H](Nc1cc[nH+]cc1C)C2 ZINC000366877056 354346246 /nfs/dbraw/zinc/34/62/46/354346246.db2.gz LOXSLMPWUONNCU-GFCCVEGCSA-N 2 1 242.326 1.744 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334624979 354365151 /nfs/dbraw/zinc/36/51/51/354365151.db2.gz SEEGXRPWHTWIFS-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334624979 354365153 /nfs/dbraw/zinc/36/51/53/354365153.db2.gz SEEGXRPWHTWIFS-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334624979 354365156 /nfs/dbraw/zinc/36/51/56/354365156.db2.gz SEEGXRPWHTWIFS-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334689322 354477607 /nfs/dbraw/zinc/47/76/07/354477607.db2.gz YKWUTKWBPGAHDQ-GFCCVEGCSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccns3)C2)C1 ZINC000639203802 354640167 /nfs/dbraw/zinc/64/01/67/354640167.db2.gz MEPZFVBXOJJNPA-GFCCVEGCSA-N 2 1 237.372 1.671 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2ccccc2C1 ZINC000235464184 363444833 /nfs/dbraw/zinc/44/48/33/363444833.db2.gz CEMVDEKLDYZDKI-MFKMUULPSA-N 2 1 204.317 1.481 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000335166985 354925798 /nfs/dbraw/zinc/92/57/98/354925798.db2.gz IDHFFJBVGQJPDJ-NSHDSACASA-N 2 1 245.330 1.441 20 0 BDADMP Cc1cn[nH]c1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000335166978 354925913 /nfs/dbraw/zinc/92/59/13/354925913.db2.gz IDHFFJBVGQJPDJ-LLVKDONJSA-N 2 1 245.330 1.441 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1OCO2 ZINC000346688549 355013921 /nfs/dbraw/zinc/01/39/21/355013921.db2.gz XUQGCDBGGRGBNL-WDEREUQCSA-N 2 1 248.326 1.584 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000346639243 355015418 /nfs/dbraw/zinc/01/54/18/355015418.db2.gz JREHFLZPXUTWQT-NXEZZACHSA-N 2 1 239.388 1.875 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000346639243 355015422 /nfs/dbraw/zinc/01/54/22/355015422.db2.gz JREHFLZPXUTWQT-NXEZZACHSA-N 2 1 239.388 1.875 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCSCC1 ZINC000335182211 355079526 /nfs/dbraw/zinc/07/95/26/355079526.db2.gz SIYPWAIAHXERSC-JQWIXIFHSA-N 2 1 228.405 1.860 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000335182180 355079702 /nfs/dbraw/zinc/07/97/02/355079702.db2.gz ZUCQPQAKGNXYCN-NEPJUHHUSA-N 2 1 205.305 1.359 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+]1C ZINC000335218945 355058217 /nfs/dbraw/zinc/05/82/17/355058217.db2.gz RLWNHFLSUAENOE-GFJIZPEISA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@H+]1C ZINC000335218945 355058223 /nfs/dbraw/zinc/05/82/23/355058223.db2.gz RLWNHFLSUAENOE-GFJIZPEISA-N 3 1 239.407 1.576 20 0 BDADMP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000346819405 355123599 /nfs/dbraw/zinc/12/35/99/355123599.db2.gz BULKIJSUKKKQIH-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000346819405 355123601 /nfs/dbraw/zinc/12/36/01/355123601.db2.gz BULKIJSUKKKQIH-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000346819407 355123974 /nfs/dbraw/zinc/12/39/74/355123974.db2.gz BULKIJSUKKKQIH-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000346819407 355123979 /nfs/dbraw/zinc/12/39/79/355123979.db2.gz BULKIJSUKKKQIH-VXGBXAGGSA-N 2 1 249.358 1.649 20 0 BDADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346842279 355134180 /nfs/dbraw/zinc/13/41/80/355134180.db2.gz IBDKRYBBXPHVNW-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346842279 355134183 /nfs/dbraw/zinc/13/41/83/355134183.db2.gz IBDKRYBBXPHVNW-UONOGXRCSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000346969084 355174111 /nfs/dbraw/zinc/17/41/11/355174111.db2.gz FAAVFCOGYDJYCG-GFCCVEGCSA-N 2 1 227.396 1.387 20 0 BDADMP COCCCC[N@H+](C)CCn1cc[nH+]c1C ZINC000412970754 191344742 /nfs/dbraw/zinc/34/47/42/191344742.db2.gz IGUCMNSUDFYFLT-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP COCCCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000412970754 191344744 /nfs/dbraw/zinc/34/47/44/191344744.db2.gz IGUCMNSUDFYFLT-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP COCCCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000412970946 191345462 /nfs/dbraw/zinc/34/54/62/191345462.db2.gz IXNZVBNDSNTULI-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP COCCCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000412970946 191345464 /nfs/dbraw/zinc/34/54/64/191345464.db2.gz IXNZVBNDSNTULI-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP COCCCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000412970946 191345467 /nfs/dbraw/zinc/34/54/67/191345467.db2.gz IXNZVBNDSNTULI-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516117 355252733 /nfs/dbraw/zinc/25/27/33/355252733.db2.gz ICJAZTPLRUNNPB-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP CC(C)([NH3+])CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000335787351 355437762 /nfs/dbraw/zinc/43/77/62/355437762.db2.gz ODUJGTZKCFESLA-UHFFFAOYSA-N 2 1 222.336 1.326 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CCC3)C2)C1 ZINC000335859131 355604569 /nfs/dbraw/zinc/60/45/69/355604569.db2.gz CJLSMZOZUSWASC-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC000335859131 355604572 /nfs/dbraw/zinc/60/45/72/355604572.db2.gz CJLSMZOZUSWASC-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC000335859131 355604575 /nfs/dbraw/zinc/60/45/75/355604575.db2.gz CJLSMZOZUSWASC-ZDUSSCGKSA-N 2 1 208.349 1.814 20 0 BDADMP CCOC1CC(C[N@@H+](C)CC2CN(C)C2)C1 ZINC000639309304 355665745 /nfs/dbraw/zinc/66/57/45/355665745.db2.gz JTPAVRJWJFUNRE-UHFFFAOYSA-N 2 1 226.364 1.295 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694315 358497739 /nfs/dbraw/zinc/49/77/39/358497739.db2.gz CNESJRPIVWWGGO-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]1C[C@H](N2CCc3n[nH]cc3C2)CC[N@H+]1C ZINC000639343186 355785893 /nfs/dbraw/zinc/78/58/93/355785893.db2.gz GUQODPHTULXIEY-ZYHUDNBSSA-N 2 1 234.347 1.251 20 0 BDADMP CC[C@]1(O)CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000639382770 355932376 /nfs/dbraw/zinc/93/23/76/355932376.db2.gz WTQCDOYXFJLJBK-AWEZNQCLSA-N 2 1 249.358 1.566 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480150 355994418 /nfs/dbraw/zinc/99/44/18/355994418.db2.gz TYYMNTOQNCTYDE-YNEHKIRRSA-N 2 1 226.364 1.471 20 0 BDADMP FCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000389293149 355959015 /nfs/dbraw/zinc/95/90/15/355959015.db2.gz DLDOZHFCDJCWLV-UHFFFAOYSA-N 2 1 200.301 1.420 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000351612170 356028246 /nfs/dbraw/zinc/02/82/46/356028246.db2.gz UZMWSLPIDKDEQV-OLZOCXBDSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000351612170 356028248 /nfs/dbraw/zinc/02/82/48/356028248.db2.gz UZMWSLPIDKDEQV-OLZOCXBDSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccnn1C ZINC000192249738 356078290 /nfs/dbraw/zinc/07/82/90/356078290.db2.gz JRCNPMXQMBPFOY-VXGBXAGGSA-N 2 1 248.374 1.555 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccnn1C ZINC000192249738 356078292 /nfs/dbraw/zinc/07/82/92/356078292.db2.gz JRCNPMXQMBPFOY-VXGBXAGGSA-N 2 1 248.374 1.555 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000087479767 491088891 /nfs/dbraw/zinc/08/88/91/491088891.db2.gz GGXWZWYCFUVHNC-AAEUAGOBSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1cc(N2CC[NH2+]C[C@@](C)(F)C2)nc(C)[nH+]1 ZINC000420254693 192188097 /nfs/dbraw/zinc/18/80/97/192188097.db2.gz ALAWNCXSEIMMHI-GFCCVEGCSA-N 2 1 238.310 1.231 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([NH3+])[C@H]1C ZINC000420259869 192190260 /nfs/dbraw/zinc/19/02/60/192190260.db2.gz ZKVZJEWMSDCKEK-KOLCDFICSA-N 2 1 249.314 1.184 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCCCCF)C1CC1 ZINC000420293619 192203583 /nfs/dbraw/zinc/20/35/83/192203583.db2.gz RHKOPKXJQXTZCY-NSHDSACASA-N 2 1 202.317 1.843 20 0 BDADMP CN(CCc1cnccn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000639496084 356322545 /nfs/dbraw/zinc/32/25/45/356322545.db2.gz UOXXKWFWFQWXLX-ZDUSSCGKSA-N 2 1 248.374 1.293 20 0 BDADMP C[N@H+](CCc1cnccn1)C[C@H]1CCC[NH+](C)C1 ZINC000639496084 356322547 /nfs/dbraw/zinc/32/25/47/356322547.db2.gz UOXXKWFWFQWXLX-ZDUSSCGKSA-N 2 1 248.374 1.293 20 0 BDADMP C[N@@H+](CCc1cnccn1)C[C@H]1CCC[NH+](C)C1 ZINC000639496084 356322550 /nfs/dbraw/zinc/32/25/50/356322550.db2.gz UOXXKWFWFQWXLX-ZDUSSCGKSA-N 2 1 248.374 1.293 20 0 BDADMP C[C@H]1C[N@@H+](CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000420297283 192205657 /nfs/dbraw/zinc/20/56/57/192205657.db2.gz YLIKLFWDRXQHQC-JSGCOSHPSA-N 2 1 233.359 1.683 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420269530 192195724 /nfs/dbraw/zinc/19/57/24/192195724.db2.gz IEYUSOPZVGQAKX-ZIAGYGMSSA-N 3 1 239.407 1.308 20 0 BDADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000420318800 192195737 /nfs/dbraw/zinc/19/57/37/192195737.db2.gz OQDNBXOBOQWVEQ-ZDUSSCGKSA-N 3 1 239.407 1.450 20 0 BDADMP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCNCC1 ZINC000420318800 192195740 /nfs/dbraw/zinc/19/57/40/192195740.db2.gz OQDNBXOBOQWVEQ-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCNCC1 ZINC000420318800 192195741 /nfs/dbraw/zinc/19/57/41/192195741.db2.gz OQDNBXOBOQWVEQ-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420269524 192195922 /nfs/dbraw/zinc/19/59/22/192195922.db2.gz IEYUSOPZVGQAKX-KBPBESRZSA-N 3 1 239.407 1.308 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000422888324 192499435 /nfs/dbraw/zinc/49/94/35/192499435.db2.gz MRAHAVHSCPRMSY-MGPQQGTHSA-N 3 1 241.423 1.966 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000336119422 134089652 /nfs/dbraw/zinc/08/96/52/134089652.db2.gz NPVWLSQENNORMR-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)OC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420286393 192200928 /nfs/dbraw/zinc/20/09/28/192200928.db2.gz GGHJIFLRGNKGQY-LBPRGKRZSA-N 2 1 244.379 1.633 20 0 BDADMP CCOC(=O)CCCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000420291461 192202589 /nfs/dbraw/zinc/20/25/89/192202589.db2.gz NPDRLLXFFAIHNT-ZDUSSCGKSA-N 2 1 242.363 1.437 20 0 BDADMP CC[N@@H+](Cc1ccnc(N)c1)[C@H]1CCC[NH2+]CC1 ZINC000420317488 192213227 /nfs/dbraw/zinc/21/32/27/192213227.db2.gz UOJQJDQVOYJKMU-ZDUSSCGKSA-N 2 1 248.374 1.458 20 0 BDADMP CC(C)OC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420332759 192214005 /nfs/dbraw/zinc/21/40/05/192214005.db2.gz SJKCWAMUMJOPOL-UHFFFAOYSA-N 2 1 228.336 1.141 20 0 BDADMP CC(C)OC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420332759 192214008 /nfs/dbraw/zinc/21/40/08/192214008.db2.gz SJKCWAMUMJOPOL-UHFFFAOYSA-N 2 1 228.336 1.141 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639509615 356339419 /nfs/dbraw/zinc/33/94/19/356339419.db2.gz HSHGHWUHYCYUMY-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639509615 356339421 /nfs/dbraw/zinc/33/94/21/356339421.db2.gz HSHGHWUHYCYUMY-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP COc1cccc([C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350063 192217263 /nfs/dbraw/zinc/21/72/63/192217263.db2.gz FQWUQBBVLURMRK-CMPLNLGQSA-N 2 1 238.331 1.008 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](CN)C1CC1 ZINC000420312869 192211008 /nfs/dbraw/zinc/21/10/08/192211008.db2.gz IUWDNXLDHXPAAH-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP CN(CC[C@H]1CCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000420312869 192211009 /nfs/dbraw/zinc/21/10/09/192211009.db2.gz IUWDNXLDHXPAAH-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420311132 192211671 /nfs/dbraw/zinc/21/16/71/192211671.db2.gz GVJLWCMFDISWLQ-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccon1 ZINC000420314621 192212763 /nfs/dbraw/zinc/21/27/63/192212763.db2.gz ZEMSCRXTDUMODY-NSHDSACASA-N 2 1 223.320 1.496 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccon1 ZINC000420314621 192212765 /nfs/dbraw/zinc/21/27/65/192212765.db2.gz ZEMSCRXTDUMODY-NSHDSACASA-N 2 1 223.320 1.496 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000420322749 192227583 /nfs/dbraw/zinc/22/75/83/192227583.db2.gz SVRSHRCFBUQAJL-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC[NH+]1CCCCC1 ZINC000420322749 192227584 /nfs/dbraw/zinc/22/75/84/192227584.db2.gz SVRSHRCFBUQAJL-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP CC[N@@H+](CCC(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000420321385 192227682 /nfs/dbraw/zinc/22/76/82/192227682.db2.gz ZYXBILNHAVVMQR-NSHDSACASA-N 2 1 228.336 1.014 20 0 BDADMP C[N@H+](Cc1cccc(N)c1)C1(C[NH3+])CCC1 ZINC000420323649 192228212 /nfs/dbraw/zinc/22/82/12/192228212.db2.gz GOPIUKGAMPHYGV-UHFFFAOYSA-N 2 1 219.332 1.582 20 0 BDADMP C[N@@H+](Cc1cccc(N)c1)C1(C[NH3+])CCC1 ZINC000420323649 192228215 /nfs/dbraw/zinc/22/82/15/192228215.db2.gz GOPIUKGAMPHYGV-UHFFFAOYSA-N 2 1 219.332 1.582 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000420322739 192228358 /nfs/dbraw/zinc/22/83/58/192228358.db2.gz SVRSHRCFBUQAJL-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC[NH+]1CCCCC1 ZINC000420322739 192228360 /nfs/dbraw/zinc/22/83/60/192228360.db2.gz SVRSHRCFBUQAJL-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420322058 192228454 /nfs/dbraw/zinc/22/84/54/192228454.db2.gz RXXLKYPLOZHKJC-FRRDWIJNSA-N 3 1 225.380 1.045 20 0 BDADMP COC(=O)CC1(C[NH2+][C@@](C)(C[NH3+])C(C)C)CC1 ZINC000420325053 192229439 /nfs/dbraw/zinc/22/94/39/192229439.db2.gz WBBQBFNPTRQEFL-LBPRGKRZSA-N 2 1 242.363 1.293 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC[C@@H]1CCCCO1 ZINC000420372483 192229695 /nfs/dbraw/zinc/22/96/95/192229695.db2.gz XYLULKYVNJPZLU-RYUDHWBXSA-N 2 1 228.380 1.909 20 0 BDADMP CCCCOCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420355693 192219899 /nfs/dbraw/zinc/21/98/99/192219899.db2.gz CFTGXWRRVLCKDS-FRRDWIJNSA-N 2 1 228.380 1.779 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCCc2ccccc21 ZINC000420356621 192220166 /nfs/dbraw/zinc/22/01/66/192220166.db2.gz RCCOURJRCBQFBS-OCCSQVGLSA-N 2 1 234.343 1.315 20 0 BDADMP CCOC(=O)[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420360305 192221170 /nfs/dbraw/zinc/22/11/70/192221170.db2.gz LWCFOSDSDGRJTF-NWDGAFQWSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCc1ccncc1 ZINC000420360556 192221516 /nfs/dbraw/zinc/22/15/16/192221516.db2.gz XCMVJIREKAXVFK-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCc1ccncc1 ZINC000420360556 192221520 /nfs/dbraw/zinc/22/15/20/192221520.db2.gz XCMVJIREKAXVFK-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000420381529 192234785 /nfs/dbraw/zinc/23/47/85/192234785.db2.gz XOFOWPBQRCQZKE-SWLSCSKDSA-N 2 1 248.370 1.920 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000420393598 192236147 /nfs/dbraw/zinc/23/61/47/192236147.db2.gz XYDDVQROEXBAKJ-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000420393598 192236150 /nfs/dbraw/zinc/23/61/50/192236150.db2.gz XYDDVQROEXBAKJ-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP C[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000420393476 192236728 /nfs/dbraw/zinc/23/67/28/192236728.db2.gz CDPGFOXIUJUZOZ-LSDHHAIUSA-N 2 1 247.386 1.631 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCCc1ccncc1 ZINC000420389903 192237390 /nfs/dbraw/zinc/23/73/90/192237390.db2.gz MKOJDFIAMMHOJQ-UHFFFAOYSA-N 2 1 221.348 1.556 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOCC1CC1 ZINC000420377307 192231201 /nfs/dbraw/zinc/23/12/01/192231201.db2.gz WADBCHWBTVBJGY-MDZLAQPJSA-N 2 1 226.364 1.389 20 0 BDADMP COCC[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420375781 192232418 /nfs/dbraw/zinc/23/24/18/192232418.db2.gz UMIDWCYVTHAVHO-FIQHERPVSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000420381231 192233212 /nfs/dbraw/zinc/23/32/12/192233212.db2.gz ZBIQHUHURXHPAP-MQYQWHSLSA-N 2 1 240.391 1.922 20 0 BDADMP C[N@@H+](C[C@H]1C[C@@H](O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000420918227 192272779 /nfs/dbraw/zinc/27/27/79/192272779.db2.gz VNAISRZIKMEKPA-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@H]1C[C@@H](O)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000420918227 192272781 /nfs/dbraw/zinc/27/27/81/192272781.db2.gz VNAISRZIKMEKPA-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@H]1C[C@@H](O)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000420918227 192272784 /nfs/dbraw/zinc/27/27/84/192272784.db2.gz VNAISRZIKMEKPA-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917131 192273067 /nfs/dbraw/zinc/27/30/67/192273067.db2.gz QPJJZVAFIALZDT-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917131 192273068 /nfs/dbraw/zinc/27/30/68/192273068.db2.gz QPJJZVAFIALZDT-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917131 192273070 /nfs/dbraw/zinc/27/30/70/192273070.db2.gz QPJJZVAFIALZDT-MELADBBJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420930882 192286849 /nfs/dbraw/zinc/28/68/49/192286849.db2.gz CTYRZQZBXVDJLP-UONOGXRCSA-N 2 1 242.407 1.669 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@H+](CCc2cnccn2)CC1 ZINC000639612850 356537105 /nfs/dbraw/zinc/53/71/05/356537105.db2.gz OJKFVODYLXGMQL-AWEZNQCLSA-N 2 1 248.374 1.435 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cnccn2)CC1 ZINC000639612850 356537107 /nfs/dbraw/zinc/53/71/07/356537107.db2.gz OJKFVODYLXGMQL-AWEZNQCLSA-N 2 1 248.374 1.435 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000639621961 356540688 /nfs/dbraw/zinc/54/06/88/356540688.db2.gz CCKAZQXSOXCXNA-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1OCC[C@@]1(C)[NH2+]CCc1c[nH+]cn1C ZINC000639633761 356547528 /nfs/dbraw/zinc/54/75/28/356547528.db2.gz QYIZSPVOFIIYRX-CMPLNLGQSA-N 2 1 223.320 1.120 20 0 BDADMP C[NH+]1CCC(NCC[N@H+]2CCCC2(C)C)CC1 ZINC000449781670 202035695 /nfs/dbraw/zinc/03/56/95/202035695.db2.gz JCFFFZXJGUYMIA-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP C[C@H](O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756455 356660785 /nfs/dbraw/zinc/66/07/85/356660785.db2.gz VLDFWQOLIVXZIJ-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755875 356659041 /nfs/dbraw/zinc/65/90/41/356659041.db2.gz PVQDYTXHXRSDHW-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C(C)(F)F ZINC000389451244 356675760 /nfs/dbraw/zinc/67/57/60/356675760.db2.gz SUZUAYAXGMZTBW-RKDXNWHRSA-N 2 1 224.295 1.374 20 0 BDADMP Cc1cccc(N2CC[C@@H](C)[C@H](C[NH3+])C2)[nH+]1 ZINC000167686700 134153980 /nfs/dbraw/zinc/15/39/80/134153980.db2.gz HMHUDNFWRXIFDR-ZYHUDNBSSA-N 2 1 219.332 1.811 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC2CC2)C1 ZINC000639761478 356678662 /nfs/dbraw/zinc/67/86/62/356678662.db2.gz BLKYPLLZRFZPJX-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC2CC2)C1 ZINC000639761478 356678666 /nfs/dbraw/zinc/67/86/66/356678666.db2.gz BLKYPLLZRFZPJX-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000639762251 356684571 /nfs/dbraw/zinc/68/45/71/356684571.db2.gz LKBZXIIXDZWINJ-ZIAGYGMSSA-N 2 1 238.375 1.484 20 0 BDADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000639762251 356684573 /nfs/dbraw/zinc/68/45/73/356684573.db2.gz LKBZXIIXDZWINJ-ZIAGYGMSSA-N 2 1 238.375 1.484 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639767858 356698621 /nfs/dbraw/zinc/69/86/21/356698621.db2.gz UGQMDPASUVERKW-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767858 356698622 /nfs/dbraw/zinc/69/86/22/356698622.db2.gz UGQMDPASUVERKW-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767858 356698623 /nfs/dbraw/zinc/69/86/23/356698623.db2.gz UGQMDPASUVERKW-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768621 356699351 /nfs/dbraw/zinc/69/93/51/356699351.db2.gz UGQMDPASUVERKW-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768621 356699356 /nfs/dbraw/zinc/69/93/56/356699356.db2.gz UGQMDPASUVERKW-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000450466511 202175484 /nfs/dbraw/zinc/17/54/84/202175484.db2.gz JACQOPFKICKVFS-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000450466511 202175488 /nfs/dbraw/zinc/17/54/88/202175488.db2.gz JACQOPFKICKVFS-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000450466511 202175490 /nfs/dbraw/zinc/17/54/90/202175490.db2.gz JACQOPFKICKVFS-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000450466511 202175494 /nfs/dbraw/zinc/17/54/94/202175494.db2.gz JACQOPFKICKVFS-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000450466511 202175498 /nfs/dbraw/zinc/17/54/98/202175498.db2.gz JACQOPFKICKVFS-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CCCc1ncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])o1 ZINC000423151729 192592340 /nfs/dbraw/zinc/59/23/40/192592340.db2.gz DOHIEXBFFPGCLU-NXEZZACHSA-N 2 1 225.336 1.843 20 0 BDADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373572 356884687 /nfs/dbraw/zinc/88/46/87/356884687.db2.gz DIGIYVSWZIKKHW-QWRGUYRKSA-N 2 1 214.353 1.077 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358162353 356861822 /nfs/dbraw/zinc/86/18/22/356861822.db2.gz HLQFHDCJYRTPSV-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358162353 356861826 /nfs/dbraw/zinc/86/18/26/356861826.db2.gz HLQFHDCJYRTPSV-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP CCCCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119598702 357028971 /nfs/dbraw/zinc/02/89/71/357028971.db2.gz DETZAPRDIPHGPT-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@H+](C[C@H](O)C[NH+](C)CC)CC1CC1 ZINC000390623314 357108339 /nfs/dbraw/zinc/10/83/39/357108339.db2.gz GLIZCJVXQGZBAD-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)CC1CC1 ZINC000390623314 357108340 /nfs/dbraw/zinc/10/83/40/357108340.db2.gz GLIZCJVXQGZBAD-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@H+](C)CC)CC1CC1 ZINC000390623314 357108342 /nfs/dbraw/zinc/10/83/42/357108342.db2.gz GLIZCJVXQGZBAD-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1CC1 ZINC000390623314 357108343 /nfs/dbraw/zinc/10/83/43/357108343.db2.gz GLIZCJVXQGZBAD-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000389984337 357078973 /nfs/dbraw/zinc/07/89/73/357078973.db2.gz LFAKQOVZTXQAGQ-NSHDSACASA-N 2 1 214.328 1.808 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000389984337 357078976 /nfs/dbraw/zinc/07/89/76/357078976.db2.gz LFAKQOVZTXQAGQ-NSHDSACASA-N 2 1 214.328 1.808 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)C ZINC000390470818 357094773 /nfs/dbraw/zinc/09/47/73/357094773.db2.gz HEAGJKPFUNHHAD-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)C ZINC000390470818 357094777 /nfs/dbraw/zinc/09/47/77/357094777.db2.gz HEAGJKPFUNHHAD-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000390470818 357094781 /nfs/dbraw/zinc/09/47/81/357094781.db2.gz HEAGJKPFUNHHAD-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000390470818 357094784 /nfs/dbraw/zinc/09/47/84/357094784.db2.gz HEAGJKPFUNHHAD-CHWSQXEVSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC[C@H]1C ZINC000390683050 357114226 /nfs/dbraw/zinc/11/42/26/357114226.db2.gz YNHJMGMHDAILGA-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC[C@H]1C ZINC000390683050 357114231 /nfs/dbraw/zinc/11/42/31/357114231.db2.gz YNHJMGMHDAILGA-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000390683050 357114234 /nfs/dbraw/zinc/11/42/34/357114234.db2.gz YNHJMGMHDAILGA-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000390683050 357114239 /nfs/dbraw/zinc/11/42/39/357114239.db2.gz YNHJMGMHDAILGA-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000392236360 357143882 /nfs/dbraw/zinc/14/38/82/357143882.db2.gz WLMNAMHXKIILNU-STQMWFEESA-N 3 1 223.364 1.108 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423252156 192653450 /nfs/dbraw/zinc/65/34/50/192653450.db2.gz XDQFZZCOJZAYGX-VXGBXAGGSA-N 2 1 236.363 1.255 20 0 BDADMP CC(C)[C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000393758629 357296790 /nfs/dbraw/zinc/29/67/90/357296790.db2.gz UQLFDOGBYFFYQA-WCQYABFASA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)[C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000393758629 357296793 /nfs/dbraw/zinc/29/67/93/357296793.db2.gz UQLFDOGBYFFYQA-WCQYABFASA-N 2 1 228.380 1.323 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(C)C)C1 ZINC000393791337 357299623 /nfs/dbraw/zinc/29/96/23/357299623.db2.gz ZDHXDVGDXZWTNG-OLZOCXBDSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000393791337 357299624 /nfs/dbraw/zinc/29/96/24/357299624.db2.gz ZDHXDVGDXZWTNG-OLZOCXBDSA-N 2 1 228.380 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000393791337 357299625 /nfs/dbraw/zinc/29/96/25/357299625.db2.gz ZDHXDVGDXZWTNG-OLZOCXBDSA-N 2 1 228.380 1.277 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C[C@@H]1C[NH3+] ZINC000393358739 357307923 /nfs/dbraw/zinc/30/79/23/357307923.db2.gz RNTPFJANOVWFOQ-ZOBORPQBSA-N 2 1 240.391 1.454 20 0 BDADMP C[C@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000584358659 357329049 /nfs/dbraw/zinc/32/90/49/357329049.db2.gz DGODVOQZKRXMJK-NSHDSACASA-N 2 1 207.321 1.695 20 0 BDADMP C[C@@H]([NH2+]CC[NH3+])[C@@H]1COc2ccccc21 ZINC000582786757 357394363 /nfs/dbraw/zinc/39/43/63/357394363.db2.gz CEIAOAYLNLSKOR-KOLCDFICSA-N 2 1 206.289 1.099 20 0 BDADMP Cc1cnccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000395398065 357437346 /nfs/dbraw/zinc/43/73/46/357437346.db2.gz ZKZLJYQUNZYPKW-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC(C)C ZINC000396822196 357484431 /nfs/dbraw/zinc/48/44/31/357484431.db2.gz CMROZPUUGLZAST-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(N)=O ZINC000230383044 357532555 /nfs/dbraw/zinc/53/25/55/357532555.db2.gz FKTKDSXASUMPRT-VXGBXAGGSA-N 2 1 247.342 1.232 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188558242 357562004 /nfs/dbraw/zinc/56/20/04/357562004.db2.gz XBAZIKGNRDDGIH-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188558242 357562006 /nfs/dbraw/zinc/56/20/06/357562006.db2.gz XBAZIKGNRDDGIH-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188558242 357562008 /nfs/dbraw/zinc/56/20/08/357562008.db2.gz XBAZIKGNRDDGIH-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)=CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000397656986 357618285 /nfs/dbraw/zinc/61/82/85/357618285.db2.gz KCBUQCBIPWPHDL-ZDUSSCGKSA-N 2 1 226.364 1.387 20 0 BDADMP CC(C)=CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000397656986 357618287 /nfs/dbraw/zinc/61/82/87/357618287.db2.gz KCBUQCBIPWPHDL-ZDUSSCGKSA-N 2 1 226.364 1.387 20 0 BDADMP CC(C)CCOCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232566885 357671067 /nfs/dbraw/zinc/67/10/67/357671067.db2.gz ITJMLIDMHSMKBN-CYBMUJFWSA-N 2 1 228.380 1.720 20 0 BDADMP CC[NH+](CC)CCC[NH+]1CCC([C@H](C)O)CC1 ZINC000191490959 357774603 /nfs/dbraw/zinc/77/46/03/357774603.db2.gz DSSJUOHVRFZRKF-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC[C@@H](C)O ZINC000191512356 357783312 /nfs/dbraw/zinc/78/33/12/357783312.db2.gz HFDJYWHSOCTWPR-GFCCVEGCSA-N 2 1 216.369 1.421 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416252 357831846 /nfs/dbraw/zinc/83/18/46/357831846.db2.gz OKIUPOOPGULBGU-OCCSQVGLSA-N 2 1 242.407 2.000 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@@H+]1CCOCC1(C)C ZINC000192563238 357844573 /nfs/dbraw/zinc/84/45/73/357844573.db2.gz PFYXBGFOSVNKFF-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP Cc1c[nH+]ccc1NCC[N@H+]1CCOCC1(C)C ZINC000192563238 357844574 /nfs/dbraw/zinc/84/45/74/357844574.db2.gz PFYXBGFOSVNKFF-UHFFFAOYSA-N 2 1 249.358 1.913 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000168562657 134226560 /nfs/dbraw/zinc/22/65/60/134226560.db2.gz FPRGLZOMXAWOSN-ZJUUUORDSA-N 2 1 209.293 1.152 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000168562657 134226561 /nfs/dbraw/zinc/22/65/61/134226561.db2.gz FPRGLZOMXAWOSN-ZJUUUORDSA-N 2 1 209.293 1.152 20 0 BDADMP C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000217537893 357909231 /nfs/dbraw/zinc/90/92/31/357909231.db2.gz ZRUHHLMXGSBVML-IJLUTSLNSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000217537893 357909233 /nfs/dbraw/zinc/90/92/33/357909233.db2.gz ZRUHHLMXGSBVML-IJLUTSLNSA-N 2 1 225.380 1.329 20 0 BDADMP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386560244 357930640 /nfs/dbraw/zinc/93/06/40/357930640.db2.gz IXLINWAGASNMSG-NOOOWODRSA-N 2 1 246.420 1.219 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CO)C1 ZINC000639936196 357932280 /nfs/dbraw/zinc/93/22/80/357932280.db2.gz AJLMBTWJROFWTO-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H](CO)C1 ZINC000639936196 357932282 /nfs/dbraw/zinc/93/22/82/357932282.db2.gz AJLMBTWJROFWTO-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H](CO)C1 ZINC000639936196 357932284 /nfs/dbraw/zinc/93/22/84/357932284.db2.gz AJLMBTWJROFWTO-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937761 357939144 /nfs/dbraw/zinc/93/91/44/357939144.db2.gz WWAYCEBJIFIHIA-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cscn1 ZINC000219311472 357995031 /nfs/dbraw/zinc/99/50/31/357995031.db2.gz SDTJVDWWVHNWSQ-JTQLQIEISA-N 2 1 243.376 1.372 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982290 358025721 /nfs/dbraw/zinc/02/57/21/358025721.db2.gz LHWKENBWHKMBGR-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983597 358026447 /nfs/dbraw/zinc/02/64/47/358026447.db2.gz KJVBFOIWTKDYIB-GFCCVEGCSA-N 2 1 226.364 1.318 20 0 BDADMP CCC1([NH+]2CCCC2)CC[NH+](CCO)CC1 ZINC000639986823 358026779 /nfs/dbraw/zinc/02/67/79/358026779.db2.gz TUAWUMFWOWVHKD-UHFFFAOYSA-N 2 1 226.364 1.319 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000220540377 358043969 /nfs/dbraw/zinc/04/39/69/358043969.db2.gz IMVHJTIKXFNOOL-QMMMGPOBSA-N 2 1 214.259 1.792 20 0 BDADMP CC(C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000038124813 358117322 /nfs/dbraw/zinc/11/73/22/358117322.db2.gz RREJEWCUHKFBEG-UHFFFAOYSA-N 2 1 226.364 1.221 20 0 BDADMP CCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000038115458 358115577 /nfs/dbraw/zinc/11/55/77/358115577.db2.gz FOBTWYUZWMMIOX-UHFFFAOYSA-N 2 1 214.353 1.221 20 0 BDADMP Cc1nn(C)c(C)c1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000584720830 358161300 /nfs/dbraw/zinc/16/13/00/358161300.db2.gz XAHQGWZXXWUPJW-CYBMUJFWSA-N 2 1 236.363 1.126 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000218761717 134259986 /nfs/dbraw/zinc/25/99/86/134259986.db2.gz UAQBUVWGFCOYBW-ZLKJLUDKSA-N 2 1 234.343 1.882 20 0 BDADMP CN(c1[nH+]cnc2[nH]ccc21)C1CC[NH2+]CC1 ZINC000223077315 358213966 /nfs/dbraw/zinc/21/39/66/358213966.db2.gz TYFYSWYNAUQJMT-UHFFFAOYSA-N 2 1 231.303 1.146 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223002574 358214092 /nfs/dbraw/zinc/21/40/92/358214092.db2.gz FVRSWMCZNYKKQA-NEPJUHHUSA-N 3 1 213.369 1.186 20 0 BDADMP CC(C)N(C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223002574 358214093 /nfs/dbraw/zinc/21/40/93/358214093.db2.gz FVRSWMCZNYKKQA-NEPJUHHUSA-N 2 1 213.369 1.186 20 0 BDADMP CCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450640507 202223295 /nfs/dbraw/zinc/22/32/95/202223295.db2.gz CZOQZWVJOYEDNM-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H](C)CO ZINC000450736278 202246345 /nfs/dbraw/zinc/24/63/45/202246345.db2.gz FCWLHOYLGMWJQY-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H](C)CO ZINC000450736277 202251545 /nfs/dbraw/zinc/25/15/45/202251545.db2.gz FCWLHOYLGMWJQY-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000622017001 370664324 /nfs/dbraw/zinc/66/43/24/370664324.db2.gz XMGUMZSCXJHDAG-GXSJLCMTSA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000622017001 370664329 /nfs/dbraw/zinc/66/43/29/370664329.db2.gz XMGUMZSCXJHDAG-GXSJLCMTSA-N 2 1 248.317 1.076 20 0 BDADMP Cc1cc(CO)cc(NCC[C@H](C)[NH+](C)C)[nH+]1 ZINC000664246738 491133422 /nfs/dbraw/zinc/13/34/22/491133422.db2.gz XXKXMWMJFLMPSW-NSHDSACASA-N 2 1 237.347 1.634 20 0 BDADMP Cc1nccn1CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000130154590 358610423 /nfs/dbraw/zinc/61/04/23/358610423.db2.gz QBKNZEFZMHJDCV-AAEUAGOBSA-N 2 1 236.363 1.121 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000212260556 358587715 /nfs/dbraw/zinc/58/77/15/358587715.db2.gz FTUJCXIQIQEBTP-SDDRHHMPSA-N 2 1 242.363 1.387 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000212260556 358587717 /nfs/dbraw/zinc/58/77/17/358587717.db2.gz FTUJCXIQIQEBTP-SDDRHHMPSA-N 2 1 242.363 1.387 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000214018632 358753195 /nfs/dbraw/zinc/75/31/95/358753195.db2.gz RWKMSGTTZASNAT-LLVKDONJSA-N 2 1 235.331 1.322 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051631492 358757379 /nfs/dbraw/zinc/75/73/79/358757379.db2.gz VBDZHRRHZWKXML-CABCVRRESA-N 2 1 248.370 1.056 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000132279743 358715088 /nfs/dbraw/zinc/71/50/88/358715088.db2.gz QDFQLBWVWRWURM-WDEREUQCSA-N 2 1 226.364 1.626 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000133022061 358743428 /nfs/dbraw/zinc/74/34/28/358743428.db2.gz CBDZBYNSJHVBKC-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)n1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000219839855 134292201 /nfs/dbraw/zinc/29/22/01/134292201.db2.gz SNSQLZNZXHDZDW-LLVKDONJSA-N 2 1 222.336 1.245 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000219839855 134292202 /nfs/dbraw/zinc/29/22/02/134292202.db2.gz SNSQLZNZXHDZDW-LLVKDONJSA-N 2 1 222.336 1.245 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CSC2)C1 ZINC000308549923 491136950 /nfs/dbraw/zinc/13/69/50/491136950.db2.gz XCIDBDGNPHZILU-JTQLQIEISA-N 2 1 214.378 1.422 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000053035174 358805815 /nfs/dbraw/zinc/80/58/15/358805815.db2.gz SXWPHJOXMKAILV-AWEZNQCLSA-N 2 1 248.370 1.997 20 0 BDADMP COCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578323819 366512361 /nfs/dbraw/zinc/51/23/61/366512361.db2.gz XUOCDGMRCDMDIK-ZDUSSCGKSA-N 2 1 226.364 1.489 20 0 BDADMP COC(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000136771698 358886291 /nfs/dbraw/zinc/88/62/91/358886291.db2.gz UXCKLQMCRAMCIF-LBPRGKRZSA-N 2 1 242.363 1.023 20 0 BDADMP COC(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000136771698 358886293 /nfs/dbraw/zinc/88/62/93/358886293.db2.gz UXCKLQMCRAMCIF-LBPRGKRZSA-N 2 1 242.363 1.023 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCOC1 ZINC000623430868 358890683 /nfs/dbraw/zinc/89/06/83/358890683.db2.gz JNXAVBGLWHZQGV-RWMBFGLXSA-N 2 1 240.391 1.874 20 0 BDADMP CC1CC(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000622017528 370665890 /nfs/dbraw/zinc/66/58/90/370665890.db2.gz VFRJLXHVAKAZDA-XIVSLSHWSA-N 2 1 226.364 1.077 20 0 BDADMP CC1CC(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000622017528 370665893 /nfs/dbraw/zinc/66/58/93/370665893.db2.gz VFRJLXHVAKAZDA-XIVSLSHWSA-N 2 1 226.364 1.077 20 0 BDADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432976 358946736 /nfs/dbraw/zinc/94/67/36/358946736.db2.gz VCTXKTKEYOSNOV-NSHDSACASA-N 2 1 228.380 1.874 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000071333390 359076869 /nfs/dbraw/zinc/07/68/69/359076869.db2.gz JIBKVKSYHZOVLH-MDZLAQPJSA-N 2 1 236.363 1.238 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000071333390 359076872 /nfs/dbraw/zinc/07/68/72/359076872.db2.gz JIBKVKSYHZOVLH-MDZLAQPJSA-N 2 1 236.363 1.238 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(Cc3cncnc3)CC[C@H]21 ZINC000247269867 359208056 /nfs/dbraw/zinc/20/80/56/359208056.db2.gz YBDSKYPXADLIPD-UONOGXRCSA-N 2 1 246.358 1.393 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCC1 ZINC000423512694 192800660 /nfs/dbraw/zinc/80/06/60/192800660.db2.gz KXUOJTXEYWBIEE-QWHCGFSZSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cnn(C)c1 ZINC000423528542 192804303 /nfs/dbraw/zinc/80/43/03/192804303.db2.gz ONFXKEWTCUYMQR-CYBMUJFWSA-N 2 1 236.363 1.603 20 0 BDADMP C[C@@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCCC[NH2+]1 ZINC000379588843 359556361 /nfs/dbraw/zinc/55/63/61/359556361.db2.gz PSTCQDIDSLXBEX-PWSUYJOCSA-N 2 1 222.336 1.072 20 0 BDADMP C[C@@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCCC[NH2+]1 ZINC000379588845 359556430 /nfs/dbraw/zinc/55/64/30/359556430.db2.gz PSTCQDIDSLXBEX-ZYHUDNBSSA-N 2 1 222.336 1.072 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(C)CC1 ZINC000309056626 491143524 /nfs/dbraw/zinc/14/35/24/491143524.db2.gz RPMVRMDWHLHDDC-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000309056626 491143526 /nfs/dbraw/zinc/14/35/26/491143526.db2.gz RPMVRMDWHLHDDC-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCN2CCC2)CC1(C)C ZINC000623470210 359769187 /nfs/dbraw/zinc/76/91/87/359769187.db2.gz FEINWZMIYPQKAW-GFCCVEGCSA-N 2 1 225.380 1.155 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCOC1(C)C ZINC000451241295 202384899 /nfs/dbraw/zinc/38/48/99/202384899.db2.gz JBJGNFQEGNVXBU-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@H]1[C@@H](CO)CC[N@H+]1CCC[NH+](CC)CC ZINC000451260887 202390382 /nfs/dbraw/zinc/39/03/82/202390382.db2.gz VDMSMDZFOJZUIJ-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP C[N@H+](CCC[NH3+])Cc1cccc2c1OCO2 ZINC000578749207 366637501 /nfs/dbraw/zinc/63/75/01/366637501.db2.gz VZHAEIVSIARYOU-UHFFFAOYSA-N 2 1 222.288 1.196 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cccc2c1OCO2 ZINC000578749207 366637506 /nfs/dbraw/zinc/63/75/06/366637506.db2.gz VZHAEIVSIARYOU-UHFFFAOYSA-N 2 1 222.288 1.196 20 0 BDADMP COCc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000088567042 359967485 /nfs/dbraw/zinc/96/74/85/359967485.db2.gz DDZWUOHNHMFYGN-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cccc2c1NCC2 ZINC000578867364 366661702 /nfs/dbraw/zinc/66/17/02/366661702.db2.gz OSLFIEXJZLJKIU-UHFFFAOYSA-N 2 1 219.332 1.435 20 0 BDADMP CCN(CC)[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000089749462 360036745 /nfs/dbraw/zinc/03/67/45/360036745.db2.gz SMKJWTLDQVYBBM-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000089749462 360036749 /nfs/dbraw/zinc/03/67/49/360036749.db2.gz SMKJWTLDQVYBBM-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089147963 359994405 /nfs/dbraw/zinc/99/44/05/359994405.db2.gz GJSFYLZRJJHUBJ-JSGCOSHPSA-N 3 1 239.407 1.578 20 0 BDADMP C1C[C@@H]2C[C@@H]([NH2+]C3CCOCC3)CC[N@H+]2C1 ZINC000090714581 360084716 /nfs/dbraw/zinc/08/47/16/360084716.db2.gz BVZBHRHPPHGKLX-QWHCGFSZSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+](C)C ZINC000093496204 360251695 /nfs/dbraw/zinc/25/16/95/360251695.db2.gz SBRVSTGQLOILII-KGLIPLIRSA-N 3 1 241.423 1.839 20 0 BDADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623474671 360410194 /nfs/dbraw/zinc/41/01/94/360410194.db2.gz LDMZHZKNJYCHBL-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000309527829 491150050 /nfs/dbraw/zinc/15/00/50/491150050.db2.gz CMNDWMDBEDJHHS-GFCCVEGCSA-N 2 1 219.332 1.909 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407324 361056051 /nfs/dbraw/zinc/05/60/51/361056051.db2.gz XSIQDVXSXHGFLY-SGMGOOAPSA-N 2 1 248.370 1.966 20 0 BDADMP C[C@H]1C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@H+]1C1CC1 ZINC000629411966 361060503 /nfs/dbraw/zinc/06/05/03/361060503.db2.gz JEIWQKPBBJEQSF-VOAKCMCISA-N 2 1 237.391 1.342 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629507240 361105926 /nfs/dbraw/zinc/10/59/26/361105926.db2.gz AVAOPDNTQNQSGO-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP CCO[C@@H](C[N@H+]1CCC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629507242 361106055 /nfs/dbraw/zinc/10/60/55/361106055.db2.gz AVAOPDNTQNQSGO-OCCSQVGLSA-N 2 1 240.391 1.733 20 0 BDADMP Nc1ncccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000629520029 361120284 /nfs/dbraw/zinc/12/02/84/361120284.db2.gz SITUCHVSGSTIJY-WCFLWFBJSA-N 2 1 246.358 1.223 20 0 BDADMP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OCC ZINC000629514989 361112787 /nfs/dbraw/zinc/11/27/87/361112787.db2.gz OIFTUPGVMQFOHJ-UPJWGTAASA-N 2 1 228.380 1.922 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629528206 361132955 /nfs/dbraw/zinc/13/29/55/361132955.db2.gz SKTPEZBYDVJPEQ-XGFWRYKXSA-N 2 1 237.391 1.105 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000629526146 361126528 /nfs/dbraw/zinc/12/65/28/361126528.db2.gz LQBOZUYVGBGXHT-IGQOVBAYSA-N 2 1 239.407 1.447 20 0 BDADMP CCSCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000158562711 361203819 /nfs/dbraw/zinc/20/38/19/361203819.db2.gz XGXNPNJTYKMUJU-MNOVXSKESA-N 2 1 216.394 1.941 20 0 BDADMP CCSCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000158562711 361203821 /nfs/dbraw/zinc/20/38/21/361203821.db2.gz XGXNPNJTYKMUJU-MNOVXSKESA-N 2 1 216.394 1.941 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000309810836 491156409 /nfs/dbraw/zinc/15/64/09/491156409.db2.gz YXSHRFSJYPRXRN-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000579225127 366737312 /nfs/dbraw/zinc/73/73/12/366737312.db2.gz FYPQRTIGVRTUIQ-CHWSQXEVSA-N 2 1 227.396 1.447 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[C@H](C)[NH3+])[C@H](C)C1 ZINC000622045683 370679847 /nfs/dbraw/zinc/67/98/47/370679847.db2.gz OFNKNZHENGEGKZ-GRYCIOLGSA-N 2 1 213.369 1.044 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@H](C)C1 ZINC000622045683 370679852 /nfs/dbraw/zinc/67/98/52/370679852.db2.gz OFNKNZHENGEGKZ-GRYCIOLGSA-N 3 1 213.369 1.044 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@H](C)C1 ZINC000622045683 370679854 /nfs/dbraw/zinc/67/98/54/370679854.db2.gz OFNKNZHENGEGKZ-GRYCIOLGSA-N 3 1 213.369 1.044 20 0 BDADMP CC[NH+](CC)CCOCC[NH2+]Cc1cocn1 ZINC000428857235 201045326 /nfs/dbraw/zinc/04/53/26/201045326.db2.gz QGPCUYCHSIBMBT-UHFFFAOYSA-N 2 1 241.335 1.123 20 0 BDADMP CCC[N@@H+](C)CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429588692 201121335 /nfs/dbraw/zinc/12/13/35/201121335.db2.gz LTVBHNRGVHVWCZ-LLVKDONJSA-N 2 1 249.358 1.987 20 0 BDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000629544071 361421628 /nfs/dbraw/zinc/42/16/28/361421628.db2.gz GHYXZVJWHSVCQZ-RYUDHWBXSA-N 2 1 235.331 1.537 20 0 BDADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000629547798 361432013 /nfs/dbraw/zinc/43/20/13/361432013.db2.gz UTXCRTYFJALCDB-ODXJTPSBSA-N 2 1 237.391 1.199 20 0 BDADMP CCC1(CC)[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@@H]1OC ZINC000629553453 361438492 /nfs/dbraw/zinc/43/84/92/361438492.db2.gz PYVMAUMXSXSQDZ-WOPDTQHZSA-N 2 1 226.364 1.532 20 0 BDADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000629553309 361439112 /nfs/dbraw/zinc/43/91/12/361439112.db2.gz VXBJFTLAGKJSHR-RWMBFGLXSA-N 2 1 248.374 1.398 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000629554658 361444105 /nfs/dbraw/zinc/44/41/05/361444105.db2.gz MKCHSFJZZZIFBB-GARJFASQSA-N 2 1 235.331 1.570 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C[NH2+]1 ZINC000629542392 361419723 /nfs/dbraw/zinc/41/97/23/361419723.db2.gz YNEXSQLLVGUJCN-YWPUVAFDSA-N 3 1 225.380 1.234 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](C)CC(C)C ZINC000629572476 361463690 /nfs/dbraw/zinc/46/36/90/361463690.db2.gz ULKYGXYFPTWWCH-ZDUSSCGKSA-N 2 1 230.396 1.836 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)nc1 ZINC000629572447 361463895 /nfs/dbraw/zinc/46/38/95/361463895.db2.gz SWLGJWOTQZXNPQ-UHFFFAOYSA-N 2 1 237.347 1.058 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CC1CC(C)(C)C1 ZINC000629572014 361463953 /nfs/dbraw/zinc/46/39/53/361463953.db2.gz MACSQOPDDPCIRS-UHFFFAOYSA-N 2 1 228.380 1.590 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000629572331 361463970 /nfs/dbraw/zinc/46/39/70/361463970.db2.gz QLRWXVJIQGVWIL-ZIAGYGMSSA-N 2 1 242.407 1.981 20 0 BDADMP Cc1cccc([C@H](C)[N@@H+](C)CCOCC[NH3+])c1 ZINC000629579909 361465695 /nfs/dbraw/zinc/46/56/95/361465695.db2.gz YAHYFZLJVXKNGL-ZDUSSCGKSA-N 2 1 236.359 1.963 20 0 BDADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430943540 201160104 /nfs/dbraw/zinc/16/01/04/201160104.db2.gz PKVBSHQVWQSPIX-CYBMUJFWSA-N 2 1 247.342 1.426 20 0 BDADMP COCCCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585009 361473373 /nfs/dbraw/zinc/47/33/73/361473373.db2.gz JOFNAVNMQJBVMH-OKILXGFUSA-N 2 1 240.391 1.735 20 0 BDADMP CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561337 361455756 /nfs/dbraw/zinc/45/57/56/361455756.db2.gz ILSWGWYMEDFHDR-SFYZADRCSA-N 2 1 210.243 1.465 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCc1ccccc1 ZINC000629566235 361457852 /nfs/dbraw/zinc/45/78/52/361457852.db2.gz IMYUJRXJYTWRTQ-UHFFFAOYSA-N 2 1 236.359 1.397 20 0 BDADMP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000629647232 361536635 /nfs/dbraw/zinc/53/66/35/361536635.db2.gz NONKBFWHJWHQJY-MELADBBJSA-N 2 1 233.359 1.584 20 0 BDADMP COCc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)o1 ZINC000629647649 361538191 /nfs/dbraw/zinc/53/81/91/361538191.db2.gz DAJFKZOYQNTGGY-LLVKDONJSA-N 2 1 238.331 1.515 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629647550 361538253 /nfs/dbraw/zinc/53/82/53/361538253.db2.gz ZEPWVRTZKWQOJP-CMPLNLGQSA-N 2 1 207.321 1.194 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000629655222 361560478 /nfs/dbraw/zinc/56/04/78/361560478.db2.gz UFNHXWLXMNVURE-LSDHHAIUSA-N 2 1 247.386 1.847 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccn(C)c1 ZINC000629648342 361541013 /nfs/dbraw/zinc/54/10/13/361541013.db2.gz SUDTWMAVTJBJQK-LBPRGKRZSA-N 2 1 209.337 1.488 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(O)c1 ZINC000629652250 361549795 /nfs/dbraw/zinc/54/97/95/361549795.db2.gz DSGCZFUAVQRCNW-UHFFFAOYSA-N 2 1 238.331 1.060 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3=CCCOC3)C[C@H]21 ZINC000629646700 361532497 /nfs/dbraw/zinc/53/24/97/361532497.db2.gz CHBGIHXVFWPJEL-BFHYXJOUSA-N 2 1 236.359 1.392 20 0 BDADMP OC[C@]12CCC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000629663756 361595726 /nfs/dbraw/zinc/59/57/26/361595726.db2.gz IXPHFOXSCUODTK-UONOGXRCSA-N 2 1 238.375 1.080 20 0 BDADMP CC[C@@H]1[C@@H](CO)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000448549298 201219870 /nfs/dbraw/zinc/21/98/70/201219870.db2.gz FQVIVCMGVDDMHA-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1[C@@H](CO)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000448549298 201219874 /nfs/dbraw/zinc/21/98/74/201219874.db2.gz FQVIVCMGVDDMHA-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000434671576 201232323 /nfs/dbraw/zinc/23/23/23/201232323.db2.gz IMCNOUKNDVXQMA-NWDGAFQWSA-N 2 1 241.379 1.104 20 0 BDADMP CCOCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000161908136 201240386 /nfs/dbraw/zinc/24/03/86/201240386.db2.gz NKUDENWXOTXFOW-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CC[N@@H+](CCOCC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435627465 201278990 /nfs/dbraw/zinc/27/89/90/201278990.db2.gz NOCXXTQTJYQDBR-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154472166 201279165 /nfs/dbraw/zinc/27/91/65/201279165.db2.gz MRINAFGAROUDOV-UTUOFQBUSA-N 2 1 214.353 1.220 20 0 BDADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000154558668 201282684 /nfs/dbraw/zinc/28/26/84/201282684.db2.gz ANAPOPCTAAQWFF-CMPLNLGQSA-N 2 1 241.379 1.103 20 0 BDADMP C[NH2+]CCC[N@@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000435885750 201295900 /nfs/dbraw/zinc/29/59/00/201295900.db2.gz NTMPZBJGCCQLKC-AAEUAGOBSA-N 2 1 228.380 1.731 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000435885788 201296408 /nfs/dbraw/zinc/29/64/08/201296408.db2.gz OCGICDSYFDDCFL-NSHDSACASA-N 2 1 239.388 1.932 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000435885788 201296410 /nfs/dbraw/zinc/29/64/10/201296410.db2.gz OCGICDSYFDDCFL-NSHDSACASA-N 2 1 239.388 1.932 20 0 BDADMP C[NH2+]CCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000435882042 201296948 /nfs/dbraw/zinc/29/69/48/201296948.db2.gz DCYQYELPPABLKZ-CYBMUJFWSA-N 2 1 248.374 1.425 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000161932849 201304311 /nfs/dbraw/zinc/30/43/11/201304311.db2.gz JPOITCUOWQMBAR-HBNTYKKESA-N 2 1 216.394 1.810 20 0 BDADMP [NH3+]C1CC[NH+](CCOc2ccccc2)CC1 ZINC000011729492 181343583 /nfs/dbraw/zinc/34/35/83/181343583.db2.gz FIXAVWUOHALGPB-UHFFFAOYSA-N 2 1 220.316 1.489 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000435885787 201294925 /nfs/dbraw/zinc/29/49/25/201294925.db2.gz OCGICDSYFDDCFL-LLVKDONJSA-N 2 1 239.388 1.932 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000435885787 201294928 /nfs/dbraw/zinc/29/49/28/201294928.db2.gz OCGICDSYFDDCFL-LLVKDONJSA-N 2 1 239.388 1.932 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC[C@H]3CCOC3)[C@@H]2C1 ZINC000437793069 201374042 /nfs/dbraw/zinc/37/40/42/201374042.db2.gz MUEFYKUZJQGAQT-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CC[C@H]3CCOC3)[C@@H]2C1 ZINC000437793069 201374044 /nfs/dbraw/zinc/37/40/44/201374044.db2.gz MUEFYKUZJQGAQT-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CC[C@H]3CCOC3)[C@@H]2C1 ZINC000437793069 201374045 /nfs/dbraw/zinc/37/40/45/201374045.db2.gz MUEFYKUZJQGAQT-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC[C@H]3CCOC3)[C@@H]2C1 ZINC000437793069 201374048 /nfs/dbraw/zinc/37/40/48/201374048.db2.gz MUEFYKUZJQGAQT-BFHYXJOUSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccco1 ZINC000155964846 201376293 /nfs/dbraw/zinc/37/62/93/201376293.db2.gz QLHHBHRJUQJNRZ-YPMHNXCESA-N 2 1 222.332 1.752 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CCCC[NH2+]1 ZINC000398196241 541307136 /nfs/dbraw/zinc/30/71/36/541307136.db2.gz ZILNMUVDQFXNQX-XQHKEYJVSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCOC1 ZINC000398976433 364401359 /nfs/dbraw/zinc/40/13/59/364401359.db2.gz CYZPNRXIIJAHMT-XQHKEYJVSA-N 2 1 226.364 1.532 20 0 BDADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)CCS1 ZINC000135077326 364424873 /nfs/dbraw/zinc/42/48/73/364424873.db2.gz YJIXTAQQVIQJKV-UHFFFAOYSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H](CCCCO)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398996351 364667407 /nfs/dbraw/zinc/66/74/07/364667407.db2.gz ABZANKVCYRDBBM-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCSCC1 ZINC000252889543 364676216 /nfs/dbraw/zinc/67/62/16/364676216.db2.gz DYBJELZNVMGADH-ZYHUDNBSSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCSCC1 ZINC000252889543 364676219 /nfs/dbraw/zinc/67/62/19/364676219.db2.gz DYBJELZNVMGADH-ZYHUDNBSSA-N 2 1 228.405 1.812 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000399017586 364723720 /nfs/dbraw/zinc/72/37/20/364723720.db2.gz DWKHHJXJOSIZRC-WCQGTBRESA-N 2 1 212.337 1.142 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](C)O)[C@H](C)C1 ZINC000167742929 364807407 /nfs/dbraw/zinc/80/74/07/364807407.db2.gz QZPAFLRMJJOENJ-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC000399080711 364781619 /nfs/dbraw/zinc/78/16/19/364781619.db2.gz RRZGPSISTSJJBD-XQHKEYJVSA-N 2 1 225.380 1.199 20 0 BDADMP CC1(C[NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000573088183 364784169 /nfs/dbraw/zinc/78/41/69/364784169.db2.gz VWQFBQYJBJHFSQ-UHFFFAOYSA-N 2 1 233.359 1.951 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000333310553 541400841 /nfs/dbraw/zinc/40/08/41/541400841.db2.gz RRDOHMSKSGMUJU-QJPTWQEYSA-N 2 1 248.374 1.750 20 0 BDADMP C[C@@H](C[NH3+])N(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000574037947 364972036 /nfs/dbraw/zinc/97/20/36/364972036.db2.gz OCKWOSWEDPTUHX-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CC[NH2+]CCCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000574440887 365059119 /nfs/dbraw/zinc/05/91/19/365059119.db2.gz PLLZPFDOANPWRD-RYUDHWBXSA-N 2 1 225.380 1.201 20 0 BDADMP COC[C@H](C)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000574749558 365132256 /nfs/dbraw/zinc/13/22/56/365132256.db2.gz KDBCVCJXZUUCLC-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000443070710 193012260 /nfs/dbraw/zinc/01/22/60/193012260.db2.gz LHNMHRGIXRTEKS-NSHDSACASA-N 2 1 223.320 1.544 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000379855682 365320327 /nfs/dbraw/zinc/32/03/27/365320327.db2.gz BYIWUNWEWSNLMF-CMPLNLGQSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1CC1 ZINC000379855682 365320337 /nfs/dbraw/zinc/32/03/37/365320337.db2.gz BYIWUNWEWSNLMF-CMPLNLGQSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000379855682 365320340 /nfs/dbraw/zinc/32/03/40/365320340.db2.gz BYIWUNWEWSNLMF-CMPLNLGQSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000379855682 365320348 /nfs/dbraw/zinc/32/03/48/365320348.db2.gz BYIWUNWEWSNLMF-CMPLNLGQSA-N 2 1 214.353 1.029 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000575762612 365358589 /nfs/dbraw/zinc/35/85/89/365358589.db2.gz ZRJNZAJCCZVNLR-MNOVXSKESA-N 2 1 235.331 1.912 20 0 BDADMP CCc1nn(C)c(CC)c1C[N@H+](C)CCC[NH3+] ZINC000575988439 365437419 /nfs/dbraw/zinc/43/74/19/365437419.db2.gz LBHHXYHSDDMBSW-UHFFFAOYSA-N 2 1 238.379 1.326 20 0 BDADMP CCc1nn(C)c(CC)c1C[N@@H+](C)CCC[NH3+] ZINC000575988439 365437424 /nfs/dbraw/zinc/43/74/24/365437424.db2.gz LBHHXYHSDDMBSW-UHFFFAOYSA-N 2 1 238.379 1.326 20 0 BDADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000180017111 541506174 /nfs/dbraw/zinc/50/61/74/541506174.db2.gz JRWQMJCXTZTKKW-LLVKDONJSA-N 2 1 236.363 1.855 20 0 BDADMP COCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702410 367140727 /nfs/dbraw/zinc/14/07/27/367140727.db2.gz ZRNOQLKCFAGNSP-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+]C1(C2CC2)CC1 ZINC000580840841 367185189 /nfs/dbraw/zinc/18/51/89/367185189.db2.gz BQGDVVBDYMQKRX-UHFFFAOYSA-N 2 1 219.332 1.885 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@H]1C ZINC000380662471 367269679 /nfs/dbraw/zinc/26/96/79/367269679.db2.gz AYEBBCHGTBDBJV-BDAKNGLRSA-N 2 1 238.335 1.494 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1CCC1 ZINC000380979758 367330268 /nfs/dbraw/zinc/33/02/68/367330268.db2.gz CESIJHSHHUXKGU-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1CCC1 ZINC000380979758 367330275 /nfs/dbraw/zinc/33/02/75/367330275.db2.gz CESIJHSHHUXKGU-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)CC1CCC1 ZINC000380979758 367330283 /nfs/dbraw/zinc/33/02/83/367330283.db2.gz CESIJHSHHUXKGU-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)CC1CCC1 ZINC000380979758 367330291 /nfs/dbraw/zinc/33/02/91/367330291.db2.gz CESIJHSHHUXKGU-CYBMUJFWSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000381028060 367336729 /nfs/dbraw/zinc/33/67/29/367336729.db2.gz YSOZUTUSNXUHOY-NWDGAFQWSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000381028060 367336733 /nfs/dbraw/zinc/33/67/33/367336733.db2.gz YSOZUTUSNXUHOY-NWDGAFQWSA-N 2 1 226.364 1.220 20 0 BDADMP FC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000381593174 367434930 /nfs/dbraw/zinc/43/49/30/367434930.db2.gz KIWMWLDLPBHWCH-NSHDSACASA-N 2 1 212.312 1.564 20 0 BDADMP FC1(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000381593174 367434935 /nfs/dbraw/zinc/43/49/35/367434935.db2.gz KIWMWLDLPBHWCH-NSHDSACASA-N 2 1 212.312 1.564 20 0 BDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cnn(C)c1 ZINC000382586366 367545063 /nfs/dbraw/zinc/54/50/63/367545063.db2.gz UASQGHFPDXJULK-SNVBAGLBSA-N 2 1 222.336 1.213 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000382384084 367513443 /nfs/dbraw/zinc/51/34/43/367513443.db2.gz KWUKGRHOVGOBNB-IHRRRGAJSA-N 2 1 240.391 1.741 20 0 BDADMP CCc1cnc(C[NH+]2CCC(C[NH2+]C)CC2)o1 ZINC000581670180 367700807 /nfs/dbraw/zinc/70/08/07/367700807.db2.gz UTMYCJNDFXGPKM-UHFFFAOYSA-N 2 1 237.347 1.668 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000383939413 367661236 /nfs/dbraw/zinc/66/12/36/367661236.db2.gz KZXGOLXDKKPFTI-HNNXBMFYSA-N 2 1 248.370 1.874 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383955133 367662719 /nfs/dbraw/zinc/66/27/19/367662719.db2.gz HBBDOYDDCMVXQT-OKILXGFUSA-N 2 1 240.391 1.590 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C[NH2+]1 ZINC000399152281 367691686 /nfs/dbraw/zinc/69/16/86/367691686.db2.gz ZVWOGCUZURZPMS-SMDDNHRTSA-N 2 1 230.355 1.884 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000566088419 325992352 /nfs/dbraw/zinc/99/23/52/325992352.db2.gz NALTZXQVVBVBNA-VXGBXAGGSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000385248987 367813726 /nfs/dbraw/zinc/81/37/26/367813726.db2.gz WRVUTMPYGWPXAN-QNWHQSFQSA-N 2 1 242.407 1.854 20 0 BDADMP Cc1cnccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000385079198 367785004 /nfs/dbraw/zinc/78/50/04/367785004.db2.gz YGLRSPOLORXIEY-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP Cc1cnccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000385079198 367785008 /nfs/dbraw/zinc/78/50/08/367785008.db2.gz YGLRSPOLORXIEY-UHFFFAOYSA-N 2 1 205.305 1.312 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888558 370895458 /nfs/dbraw/zinc/89/54/58/370895458.db2.gz XFQPJSWUBBOUGQ-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888558 370895460 /nfs/dbraw/zinc/89/54/60/370895460.db2.gz XFQPJSWUBBOUGQ-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C[NH2+]1 ZINC000399238936 367911558 /nfs/dbraw/zinc/91/15/58/367911558.db2.gz STVXVGRIHLCGJO-UTUOFQBUSA-N 2 1 212.337 1.143 20 0 BDADMP CS[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386108314 367912501 /nfs/dbraw/zinc/91/25/01/367912501.db2.gz KZXBFHIIYSRAGN-VWYCJHECSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386534589 367987866 /nfs/dbraw/zinc/98/78/66/367987866.db2.gz BJDLEOVGCXKUHN-FIQHERPVSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCCN1 ZINC000386576026 367994795 /nfs/dbraw/zinc/99/47/95/367994795.db2.gz NFGZCINXFITQNT-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP CCC[C@@H](C)[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000581948283 367975952 /nfs/dbraw/zinc/97/59/52/367975952.db2.gz FNJCKOPDYZZKNB-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386483526 367979761 /nfs/dbraw/zinc/97/97/61/367979761.db2.gz SNGPCMRPTCYFTE-KBPBESRZSA-N 2 1 241.423 1.839 20 0 BDADMP COC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523415 368470991 /nfs/dbraw/zinc/47/09/91/368470991.db2.gz CSAIOSISTKVEOI-LLVKDONJSA-N 2 1 242.363 1.212 20 0 BDADMP CC1CCC(O)(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000087044360 368887845 /nfs/dbraw/zinc/88/78/45/368887845.db2.gz NTQMGQJOFBZUDJ-UHFFFAOYSA-N 2 1 240.391 1.611 20 0 BDADMP Cc1cc(CNC[C@@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000089183518 368938325 /nfs/dbraw/zinc/93/83/25/368938325.db2.gz HYCOHVFTEFDLTH-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000089183518 368938335 /nfs/dbraw/zinc/93/83/35/368938335.db2.gz HYCOHVFTEFDLTH-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000623656372 368993280 /nfs/dbraw/zinc/99/32/80/368993280.db2.gz SSVPHBIYFNJAGY-GFCCVEGCSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836861 369084512 /nfs/dbraw/zinc/08/45/12/369084512.db2.gz IEIRHZDMSFJHSE-GXFFZTMASA-N 2 1 219.332 1.417 20 0 BDADMP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)no1 ZINC000459382485 203270247 /nfs/dbraw/zinc/27/02/47/203270247.db2.gz FGHTVJQVGTWEJG-JTQLQIEISA-N 2 1 248.330 1.914 20 0 BDADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)no1 ZINC000459581979 203306036 /nfs/dbraw/zinc/30/60/36/203306036.db2.gz FCLPIACSDVWKPV-UHFFFAOYSA-N 2 1 237.347 1.947 20 0 BDADMP C[NH+](C)CC(C)(C)NCC[NH+]1CCCCC1 ZINC000459547957 203298539 /nfs/dbraw/zinc/29/85/39/203298539.db2.gz KSXCAFKNTOKVFM-UHFFFAOYSA-N 2 1 227.396 1.402 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCOCC2)C1 ZINC000459725010 203342458 /nfs/dbraw/zinc/34/24/58/203342458.db2.gz AWJXLIWBAVECNP-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[C@H]1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459791005 203371025 /nfs/dbraw/zinc/37/10/25/203371025.db2.gz RLCMJZKPQSGMOW-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699923 370117154 /nfs/dbraw/zinc/11/71/54/370117154.db2.gz WYJDESBQTYMWOO-UTUOFQBUSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccc(O)c2)C[C@H]1C[NH3+] ZINC000253183882 370157980 /nfs/dbraw/zinc/15/79/80/370157980.db2.gz GUKHCDKCVBEHKE-WCQYABFASA-N 2 1 234.343 1.809 20 0 BDADMP Cc1ncc(CNC[C@@H]2CCC[N@@H+](C)C2)n1C ZINC000568414582 326356384 /nfs/dbraw/zinc/35/63/84/326356384.db2.gz OXLDFBFDCDGAMP-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)n1C ZINC000568414582 326356388 /nfs/dbraw/zinc/35/63/88/326356388.db2.gz OXLDFBFDCDGAMP-LBPRGKRZSA-N 2 1 236.363 1.160 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000621775220 370521776 /nfs/dbraw/zinc/52/17/76/370521776.db2.gz IVMVTYVVQCDKJE-AAEUAGOBSA-N 2 1 236.363 1.115 20 0 BDADMP CCn1cc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000621775388 370522833 /nfs/dbraw/zinc/52/28/33/370522833.db2.gz NNWNEJXOSRULNY-ZIAGYGMSSA-N 2 1 248.374 1.129 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000621775388 370522834 /nfs/dbraw/zinc/52/28/34/370522834.db2.gz NNWNEJXOSRULNY-ZIAGYGMSSA-N 2 1 248.374 1.129 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC000621779840 370529294 /nfs/dbraw/zinc/52/92/94/370529294.db2.gz JXMCNHVMVABRBM-STQMWFEESA-N 2 1 208.349 1.990 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783171 370532275 /nfs/dbraw/zinc/53/22/75/370532275.db2.gz YBOIERITGPXYNS-STQMWFEESA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890874 371095856 /nfs/dbraw/zinc/09/58/56/371095856.db2.gz UFEXHDAMKQVRMW-REWJHTLYSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890874 371095860 /nfs/dbraw/zinc/09/58/60/371095860.db2.gz UFEXHDAMKQVRMW-REWJHTLYSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCCO1 ZINC000623928211 371155905 /nfs/dbraw/zinc/15/59/05/371155905.db2.gz HYZDGAVUUMICPG-OCCSQVGLSA-N 2 1 238.375 1.796 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC1(C)C ZINC000623992045 371225741 /nfs/dbraw/zinc/22/57/41/371225741.db2.gz AGUAHZCMLJHWPA-AGIUHOORSA-N 2 1 240.391 1.610 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccn1 ZINC000391200587 371277317 /nfs/dbraw/zinc/27/73/17/371277317.db2.gz CEEYSGYMGPUADT-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccn1 ZINC000391200587 371277323 /nfs/dbraw/zinc/27/73/23/371277323.db2.gz CEEYSGYMGPUADT-WCQYABFASA-N 2 1 219.332 1.702 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000631823864 372601631 /nfs/dbraw/zinc/60/16/31/372601631.db2.gz PMOQNGJMNMKDAO-AVGNSLFASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822583 372598314 /nfs/dbraw/zinc/59/83/14/372598314.db2.gz IOBZWEQGVQWDTH-IZXDZPFWSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1OCC[C@H]1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000631822622 372598451 /nfs/dbraw/zinc/59/84/51/372598451.db2.gz JMICQCRONFGKOL-NHCYSSNCSA-N 2 1 212.337 1.128 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000631828012 372609374 /nfs/dbraw/zinc/60/93/74/372609374.db2.gz BZIFNICWOITAGH-NEPJUHHUSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000631829658 372612706 /nfs/dbraw/zinc/61/27/06/372612706.db2.gz WZYAIWYTKQNGMI-ZOBORPQBSA-N 2 1 240.391 1.861 20 0 BDADMP CC(C)OCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631859367 372657979 /nfs/dbraw/zinc/65/79/79/372657979.db2.gz NEJZSEIFODMLRB-GHMZBOCLSA-N 2 1 200.326 1.223 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631859367 372657984 /nfs/dbraw/zinc/65/79/84/372657984.db2.gz NEJZSEIFODMLRB-GHMZBOCLSA-N 2 1 200.326 1.223 20 0 BDADMP COC[C@H](C)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833816 372616664 /nfs/dbraw/zinc/61/66/64/372616664.db2.gz JIDYAIAIDRTDNK-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP N[C@@H]1CCCCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000631835086 372619917 /nfs/dbraw/zinc/61/99/17/372619917.db2.gz MBGFYLNQYAKIIX-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@@H]1CCCCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000631835086 372619921 /nfs/dbraw/zinc/61/99/21/372619921.db2.gz MBGFYLNQYAKIIX-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP N[C@H]1CCCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000631834875 372620676 /nfs/dbraw/zinc/62/06/76/372620676.db2.gz HOHUINMVUGPJPS-KGLIPLIRSA-N 2 1 239.407 1.579 20 0 BDADMP [NH3+][C@H]1CCCCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000631834875 372620680 /nfs/dbraw/zinc/62/06/80/372620680.db2.gz HOHUINMVUGPJPS-KGLIPLIRSA-N 2 1 239.407 1.579 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631838634 372633357 /nfs/dbraw/zinc/63/33/57/372633357.db2.gz RXFUTSRGOYQZLY-IJLUTSLNSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1ccc(CC[N@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000631860050 372659103 /nfs/dbraw/zinc/65/91/03/372659103.db2.gz GQCAREADYREEEB-TZMCWYRMSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ccc(CC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000631860050 372659110 /nfs/dbraw/zinc/65/91/10/372659110.db2.gz GQCAREADYREEEB-TZMCWYRMSA-N 2 1 218.344 1.959 20 0 BDADMP COc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631842786 372641236 /nfs/dbraw/zinc/64/12/36/372641236.db2.gz FSDDHOORHKTCAZ-TZMCWYRMSA-N 2 1 248.370 1.764 20 0 BDADMP Cc1ccc(CC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000631860049 372660304 /nfs/dbraw/zinc/66/03/04/372660304.db2.gz GQCAREADYREEEB-OCCSQVGLSA-N 2 1 218.344 1.959 20 0 BDADMP Cc1ccc(CC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000631860049 372660308 /nfs/dbraw/zinc/66/03/08/372660308.db2.gz GQCAREADYREEEB-OCCSQVGLSA-N 2 1 218.344 1.959 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000631825479 372604133 /nfs/dbraw/zinc/60/41/33/372604133.db2.gz JZEIIXHJZPQYJK-SRVKXCTJSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631827311 372605644 /nfs/dbraw/zinc/60/56/44/372605644.db2.gz LBFJTUOPEFAJSX-YVECIDJPSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631827311 372605647 /nfs/dbraw/zinc/60/56/47/372605647.db2.gz LBFJTUOPEFAJSX-YVECIDJPSA-N 2 1 224.348 1.095 20 0 BDADMP FC(F)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000631865238 372666531 /nfs/dbraw/zinc/66/65/31/372666531.db2.gz DJRUGGQQJUUDNN-LLVKDONJSA-N 2 1 248.317 1.342 20 0 BDADMP C[N@H+](CCCC1CC[NH2+]CC1)Cc1ncc[nH]1 ZINC000631879515 372678248 /nfs/dbraw/zinc/67/82/48/372678248.db2.gz ZQFCWUDJEMTHBB-UHFFFAOYSA-N 2 1 236.363 1.621 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ncc[nH]1 ZINC000631879515 372678257 /nfs/dbraw/zinc/67/82/57/372678257.db2.gz ZQFCWUDJEMTHBB-UHFFFAOYSA-N 2 1 236.363 1.621 20 0 BDADMP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631884356 372680173 /nfs/dbraw/zinc/68/01/73/372680173.db2.gz ISLDVCVWIRHDII-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631884356 372680179 /nfs/dbraw/zinc/68/01/79/372680179.db2.gz ISLDVCVWIRHDII-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP CC1(C)C[N@H+](Cc2ccccc2)C[C@H]1N ZINC000038531489 372695093 /nfs/dbraw/zinc/69/50/93/372695093.db2.gz CHADVKSJJSWYMX-GFCCVEGCSA-N 2 1 204.317 1.856 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459734495 206014139 /nfs/dbraw/zinc/01/41/39/206014139.db2.gz CMJJGXCPQQZYMX-FQUUOJAGSA-N 2 1 238.375 1.770 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOC2)[C@H](C)C1 ZINC000167410492 206146168 /nfs/dbraw/zinc/14/61/68/206146168.db2.gz IQCAWIRCGCJZGF-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP OCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205586 183053832 /nfs/dbraw/zinc/05/38/32/183053832.db2.gz AQHDQRXXVRQBGJ-AWEZNQCLSA-N 2 1 240.391 1.567 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000359248227 169075765 /nfs/dbraw/zinc/07/57/65/169075765.db2.gz HAKRKFSDSFKWBV-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCOC ZINC000336779519 169196005 /nfs/dbraw/zinc/19/60/05/169196005.db2.gz ONRUVLDRYVZTJP-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCOC ZINC000336779519 169196006 /nfs/dbraw/zinc/19/60/06/169196006.db2.gz ONRUVLDRYVZTJP-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000353137655 169196528 /nfs/dbraw/zinc/19/65/28/169196528.db2.gz MHQFUAJGNVJFNV-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000353137655 169196530 /nfs/dbraw/zinc/19/65/30/169196530.db2.gz MHQFUAJGNVJFNV-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340205430 169208268 /nfs/dbraw/zinc/20/82/68/169208268.db2.gz XLRPLHCBTBMFGD-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363256495 169210377 /nfs/dbraw/zinc/21/03/77/169210377.db2.gz LGGQIRCURAUPAC-AGIUHOORSA-N 2 1 208.349 1.813 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363256495 169210378 /nfs/dbraw/zinc/21/03/78/169210378.db2.gz LGGQIRCURAUPAC-AGIUHOORSA-N 2 1 208.349 1.813 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363256495 169210379 /nfs/dbraw/zinc/21/03/79/169210379.db2.gz LGGQIRCURAUPAC-AGIUHOORSA-N 2 1 208.349 1.813 20 0 BDADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH3+])c2C1 ZINC000236789149 169210942 /nfs/dbraw/zinc/21/09/42/169210942.db2.gz RKYIBPVCXWXDGE-SNVBAGLBSA-N 2 1 247.342 1.698 20 0 BDADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH3+])c2C1 ZINC000236789149 169210943 /nfs/dbraw/zinc/21/09/43/169210943.db2.gz RKYIBPVCXWXDGE-SNVBAGLBSA-N 2 1 247.342 1.698 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](C)CC1 ZINC000226328346 134360316 /nfs/dbraw/zinc/36/03/16/134360316.db2.gz ACQBDGXXUCLKFK-LBPRGKRZSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)C[C@@H](C)C[N@@H+](C)CCOCC[NH3+] ZINC000301047626 383877599 /nfs/dbraw/zinc/87/75/99/383877599.db2.gz PREGJHUKTDYAOU-GFCCVEGCSA-N 2 1 216.369 1.576 20 0 BDADMP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](C)CC1 ZINC000313140716 383934610 /nfs/dbraw/zinc/93/46/10/383934610.db2.gz HOTXGVOPOFMMOI-NWDGAFQWSA-N 2 1 214.353 1.220 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000518547196 383997003 /nfs/dbraw/zinc/99/70/03/383997003.db2.gz YDTZXNKERHOTQT-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541903 383940350 /nfs/dbraw/zinc/94/03/50/383940350.db2.gz PCDNVGVRGBBJGV-PWSUYJOCSA-N 2 1 236.363 1.901 20 0 BDADMP Cc1cccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000335849183 384005793 /nfs/dbraw/zinc/00/57/93/384005793.db2.gz GHXKEXOAUCIHDK-CQSZACIVSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC000335849183 384005794 /nfs/dbraw/zinc/00/57/94/384005794.db2.gz GHXKEXOAUCIHDK-CQSZACIVSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC000335849183 384005801 /nfs/dbraw/zinc/00/58/01/384005801.db2.gz GHXKEXOAUCIHDK-CQSZACIVSA-N 2 1 231.343 1.922 20 0 BDADMP C[C@@H]([NH2+][C@H]1CCCCNC1)C1CC[NH+](C)CC1 ZINC000643545309 384012724 /nfs/dbraw/zinc/01/27/24/384012724.db2.gz YBJMMTYPBHGQTH-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)C[NH+](C)C ZINC000293890962 384015158 /nfs/dbraw/zinc/01/51/58/384015158.db2.gz ZEJKQJMHUDZIQE-QWRGUYRKSA-N 2 1 224.352 1.268 20 0 BDADMP Cc1ccnc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292447490 384042940 /nfs/dbraw/zinc/04/29/40/384042940.db2.gz YYEGKGMPUBBZQV-CQSZACIVSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292447490 384042948 /nfs/dbraw/zinc/04/29/48/384042948.db2.gz YYEGKGMPUBBZQV-CQSZACIVSA-N 2 1 231.343 1.922 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292447490 384042957 /nfs/dbraw/zinc/04/29/57/384042957.db2.gz YYEGKGMPUBBZQV-CQSZACIVSA-N 2 1 231.343 1.922 20 0 BDADMP CO[C@@H](CC(C)C)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642680559 384043499 /nfs/dbraw/zinc/04/34/99/384043499.db2.gz ZCHRIMQSPJKDJY-XQQFMLRXSA-N 2 1 226.364 1.199 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000091007829 384089684 /nfs/dbraw/zinc/08/96/84/384089684.db2.gz MQFQWSNJGFUGOM-UONOGXRCSA-N 2 1 233.359 1.742 20 0 BDADMP Cn1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000091007829 384089688 /nfs/dbraw/zinc/08/96/88/384089688.db2.gz MQFQWSNJGFUGOM-UONOGXRCSA-N 2 1 233.359 1.742 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447923473 384055473 /nfs/dbraw/zinc/05/54/73/384055473.db2.gz DCLDMHKNXWKIOZ-GFCCVEGCSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447923473 384055479 /nfs/dbraw/zinc/05/54/79/384055479.db2.gz DCLDMHKNXWKIOZ-GFCCVEGCSA-N 2 1 237.347 1.284 20 0 BDADMP CCOC[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000313250738 384154482 /nfs/dbraw/zinc/15/44/82/384154482.db2.gz SWKHRQJCLCCVFD-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](C2CC2)C1)C1CC1 ZINC000351714183 384205050 /nfs/dbraw/zinc/20/50/50/384205050.db2.gz ZVMNYGARQSPFKF-TZMCWYRMSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](C2CC2)C1)C1CC1 ZINC000351714183 384205052 /nfs/dbraw/zinc/20/50/52/384205052.db2.gz ZVMNYGARQSPFKF-TZMCWYRMSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1)C1CC1 ZINC000351714183 384205054 /nfs/dbraw/zinc/20/50/54/384205054.db2.gz ZVMNYGARQSPFKF-TZMCWYRMSA-N 2 1 238.375 1.173 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](C2CC2)C1)C1CC1 ZINC000351714183 384205057 /nfs/dbraw/zinc/20/50/57/384205057.db2.gz ZVMNYGARQSPFKF-TZMCWYRMSA-N 2 1 238.375 1.173 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000427973433 384258165 /nfs/dbraw/zinc/25/81/65/384258165.db2.gz QQBXGALIAWAKAU-TZMCWYRMSA-N 2 1 240.391 1.611 20 0 BDADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccsc2)CCCO1 ZINC000313377928 384314929 /nfs/dbraw/zinc/31/49/29/384314929.db2.gz FTQHCHSPFPRCDV-LLVKDONJSA-N 2 1 226.345 1.298 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccsc2)CCCO1 ZINC000313377928 384314937 /nfs/dbraw/zinc/31/49/37/384314937.db2.gz FTQHCHSPFPRCDV-LLVKDONJSA-N 2 1 226.345 1.298 20 0 BDADMP CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc1 ZINC000647509851 384344982 /nfs/dbraw/zinc/34/49/82/384344982.db2.gz GYISPCQXIPYOSR-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc1 ZINC000647509851 384344986 /nfs/dbraw/zinc/34/49/86/384344986.db2.gz GYISPCQXIPYOSR-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000228858837 384346047 /nfs/dbraw/zinc/34/60/47/384346047.db2.gz ZHLRSKLQCTZZLG-TZMCWYRMSA-N 2 1 233.359 1.949 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000647509912 384348079 /nfs/dbraw/zinc/34/80/79/384348079.db2.gz TVEYVVMFEOAJAY-VXGBXAGGSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000647509912 384348082 /nfs/dbraw/zinc/34/80/82/384348082.db2.gz TVEYVVMFEOAJAY-VXGBXAGGSA-N 2 1 244.342 1.503 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CO1 ZINC000401976234 384359358 /nfs/dbraw/zinc/35/93/58/384359358.db2.gz UXRQAAMPWVRXCX-FJCXZIGKSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401976234 384359362 /nfs/dbraw/zinc/35/93/62/384359362.db2.gz UXRQAAMPWVRXCX-FJCXZIGKSA-N 2 1 238.375 1.769 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308826698 384323432 /nfs/dbraw/zinc/32/34/32/384323432.db2.gz IBKBKLPQVKNHMK-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308826698 384323434 /nfs/dbraw/zinc/32/34/34/384323434.db2.gz IBKBKLPQVKNHMK-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000335603048 384373117 /nfs/dbraw/zinc/37/31/17/384373117.db2.gz ISLDQBLSBJIEDR-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccn1 ZINC000405437281 384332715 /nfs/dbraw/zinc/33/27/15/384332715.db2.gz CLSXJBTWGYPWBS-MNOVXSKESA-N 2 1 205.305 1.297 20 0 BDADMP C(C[N@H+]1CCC2(CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000335630713 384408898 /nfs/dbraw/zinc/40/88/98/384408898.db2.gz FQUMINJXCWSUKI-GFCCVEGCSA-N 2 1 208.349 1.862 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOC)C1 ZINC000174970712 384380740 /nfs/dbraw/zinc/38/07/40/384380740.db2.gz SXXFUOQQODVOKK-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOC)C1 ZINC000174970712 384380745 /nfs/dbraw/zinc/38/07/45/384380745.db2.gz SXXFUOQQODVOKK-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOC)C1 ZINC000174970712 384380750 /nfs/dbraw/zinc/38/07/50/384380750.db2.gz SXXFUOQQODVOKK-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169233768 384453529 /nfs/dbraw/zinc/45/35/29/384453529.db2.gz VITXGOQHFNYKKG-ICCXJUOJSA-N 2 1 220.316 1.756 20 0 BDADMP CC[N@@H+](CCC[NH3+])CCc1ccccc1 ZINC000036731802 384456159 /nfs/dbraw/zinc/45/61/59/384456159.db2.gz YCZRSOZRMZWOID-UHFFFAOYSA-N 2 1 206.333 1.900 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000647513883 384428478 /nfs/dbraw/zinc/42/84/78/384428478.db2.gz NFWMBXGGVCMTOG-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N)nc2)C1 ZINC000647517986 384495023 /nfs/dbraw/zinc/49/50/23/384495023.db2.gz ZWGVIVTYKXPHLP-ZDUSSCGKSA-N 2 1 248.374 1.268 20 0 BDADMP COC1(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000319853986 384515195 /nfs/dbraw/zinc/51/51/95/384515195.db2.gz LGMOUGNTDUVWLS-QWHCGFSZSA-N 2 1 240.391 1.862 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCOC1 ZINC000161723015 384518602 /nfs/dbraw/zinc/51/86/02/384518602.db2.gz OQRWKVHAZRFHTH-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCCOC1 ZINC000161723015 384518612 /nfs/dbraw/zinc/51/86/12/384518612.db2.gz OQRWKVHAZRFHTH-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCCOC1 ZINC000161723015 384518616 /nfs/dbraw/zinc/51/86/16/384518616.db2.gz OQRWKVHAZRFHTH-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647179689 384531713 /nfs/dbraw/zinc/53/17/13/384531713.db2.gz LCVPUFTYSKABJM-MDZLAQPJSA-N 2 1 237.347 1.595 20 0 BDADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nccn1C ZINC000423363582 384546244 /nfs/dbraw/zinc/54/62/44/384546244.db2.gz AAOMFXDPWWNQJU-WOPDTQHZSA-N 2 1 236.363 1.731 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000162429023 384557777 /nfs/dbraw/zinc/55/77/77/384557777.db2.gz OEFNOPWAKCZUHM-LLVKDONJSA-N 2 1 205.305 1.171 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066878 384579343 /nfs/dbraw/zinc/57/93/43/384579343.db2.gz UTIMYLIKHVYOMG-KGLIPLIRSA-N 2 1 248.374 1.265 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000123827998 384585235 /nfs/dbraw/zinc/58/52/35/384585235.db2.gz RSYLJAPZWCWBLK-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000123827998 384585240 /nfs/dbraw/zinc/58/52/40/384585240.db2.gz RSYLJAPZWCWBLK-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP COc1cccnc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568248677 384620499 /nfs/dbraw/zinc/62/04/99/384620499.db2.gz XTMXTIYTHQMYCN-QWRGUYRKSA-N 2 1 235.331 1.450 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)O1 ZINC000304615864 384600708 /nfs/dbraw/zinc/60/07/08/384600708.db2.gz SIDDUPKRVZDWBZ-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309610784 384643754 /nfs/dbraw/zinc/64/37/54/384643754.db2.gz MQHKJXGXACTOGV-RWMBFGLXSA-N 2 1 228.380 1.323 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000363679151 384685718 /nfs/dbraw/zinc/68/57/18/384685718.db2.gz VMUZAHXTYDLOLF-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000363679151 384685723 /nfs/dbraw/zinc/68/57/23/384685723.db2.gz VMUZAHXTYDLOLF-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000363679151 384685729 /nfs/dbraw/zinc/68/57/29/384685729.db2.gz VMUZAHXTYDLOLF-UONOGXRCSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000363679153 384685779 /nfs/dbraw/zinc/68/57/79/384685779.db2.gz VMUZAHXTYDLOLF-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000363679153 384685782 /nfs/dbraw/zinc/68/57/82/384685782.db2.gz VMUZAHXTYDLOLF-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000363679153 384685786 /nfs/dbraw/zinc/68/57/86/384685786.db2.gz VMUZAHXTYDLOLF-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000125539746 384727843 /nfs/dbraw/zinc/72/78/43/384727843.db2.gz ZCUUGRAFKLYTNB-ZDUSSCGKSA-N 2 1 234.343 1.776 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000125539746 384727848 /nfs/dbraw/zinc/72/78/48/384727848.db2.gz ZCUUGRAFKLYTNB-ZDUSSCGKSA-N 2 1 234.343 1.776 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000359075418 384719811 /nfs/dbraw/zinc/71/98/11/384719811.db2.gz ZIBLBICMTMDSFS-KBPBESRZSA-N 2 1 237.391 1.178 20 0 BDADMP C[C@@H]1C[N@H+](CCSCC[NH+](C)C)C[C@H](C)O1 ZINC000568270679 384732472 /nfs/dbraw/zinc/73/24/72/384732472.db2.gz NLXXCIBKYXZNTA-TXEJJXNPSA-N 2 1 246.420 1.390 20 0 BDADMP C[C@@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000082993028 384733709 /nfs/dbraw/zinc/73/37/09/384733709.db2.gz DUQNWNUTORGVJR-DDHJBXDOSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000335044348 384779380 /nfs/dbraw/zinc/77/93/80/384779380.db2.gz YGSBWDUEAMLFRM-NHYWBVRUSA-N 2 1 230.355 1.884 20 0 BDADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309958571 384744793 /nfs/dbraw/zinc/74/47/93/384744793.db2.gz JXQJRZLVWVEMIZ-XQHKEYJVSA-N 2 1 226.364 1.220 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300393893 384748221 /nfs/dbraw/zinc/74/82/21/384748221.db2.gz FHFOIWJLHVUVFY-AGIUHOORSA-N 2 1 228.380 1.610 20 0 BDADMP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCCNC3)CC[C@H]12 ZINC000647548187 384749511 /nfs/dbraw/zinc/74/95/11/384749511.db2.gz XZFBANQLQCKPNT-SYQHCUMBSA-N 2 1 237.391 1.106 20 0 BDADMP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000335044341 384780309 /nfs/dbraw/zinc/78/03/09/384780309.db2.gz YGSBWDUEAMLFRM-ABAIWWIYSA-N 2 1 230.355 1.884 20 0 BDADMP FC1CCC(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000647553265 384769658 /nfs/dbraw/zinc/76/96/58/384769658.db2.gz NPLWSIQMNIZIHP-HTAVTVPLSA-N 2 1 214.328 1.856 20 0 BDADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCOCC[NH3+])C1(C)C ZINC000357103673 384819318 /nfs/dbraw/zinc/81/93/18/384819318.db2.gz KOEDLGSUYIDHJE-NEPJUHHUSA-N 2 1 244.379 1.097 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1(C)C ZINC000361926693 384828211 /nfs/dbraw/zinc/82/82/11/384828211.db2.gz REDTYGHQGJDYNS-FVCCEPFGSA-N 2 1 240.391 1.730 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1(C)C ZINC000361926693 384828216 /nfs/dbraw/zinc/82/82/16/384828216.db2.gz REDTYGHQGJDYNS-FVCCEPFGSA-N 2 1 240.391 1.730 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000363787465 384887583 /nfs/dbraw/zinc/88/75/83/384887583.db2.gz XBUYOUZKBRPHDT-YUTCNCBUSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000363787465 384887589 /nfs/dbraw/zinc/88/75/89/384887589.db2.gz XBUYOUZKBRPHDT-YUTCNCBUSA-N 2 1 238.375 1.628 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310546218 384864566 /nfs/dbraw/zinc/86/45/66/384864566.db2.gz DSNHWUQGURBLCN-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@H](CNc1cc[nH+]c(N(C)C)n1)C[NH+](C)C ZINC000310217836 384908518 /nfs/dbraw/zinc/90/85/18/384908518.db2.gz GFFOIMMAJNUVGR-SNVBAGLBSA-N 2 1 237.351 1.152 20 0 BDADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccco1 ZINC000106485473 384919801 /nfs/dbraw/zinc/91/98/01/384919801.db2.gz VTASRYZOSAQERD-GFCCVEGCSA-N 2 1 237.347 1.005 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000300783188 384920793 /nfs/dbraw/zinc/92/07/93/384920793.db2.gz RVTIPYPCWUQGFL-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000300783188 384920799 /nfs/dbraw/zinc/92/07/99/384920799.db2.gz RVTIPYPCWUQGFL-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP c1cc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000257650799 384922037 /nfs/dbraw/zinc/92/20/37/384922037.db2.gz DIIOZTDPGYVLFC-HNNXBMFYSA-N 2 1 245.370 1.700 20 0 BDADMP c1cncc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127952028 384968216 /nfs/dbraw/zinc/96/82/16/384968216.db2.gz NNGFNXBMGMWBOO-LSDHHAIUSA-N 2 1 245.370 1.841 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000404414336 384982241 /nfs/dbraw/zinc/98/22/41/384982241.db2.gz LXGXXGJXEFINSD-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000404414336 384982242 /nfs/dbraw/zinc/98/22/42/384982242.db2.gz LXGXXGJXEFINSD-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000249428414 384985317 /nfs/dbraw/zinc/98/53/17/384985317.db2.gz YOLRWPQHFYBJCG-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438068 385021956 /nfs/dbraw/zinc/02/19/56/385021956.db2.gz DJWXGWALWMAJOS-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000310331595 384988468 /nfs/dbraw/zinc/98/84/68/384988468.db2.gz KEBUNFJGQSXZFA-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310331595 384988476 /nfs/dbraw/zinc/98/84/76/384988476.db2.gz KEBUNFJGQSXZFA-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000310331595 384988485 /nfs/dbraw/zinc/98/84/85/384988485.db2.gz KEBUNFJGQSXZFA-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000310331595 384988491 /nfs/dbraw/zinc/98/84/91/384988491.db2.gz KEBUNFJGQSXZFA-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP CC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310331595 384988501 /nfs/dbraw/zinc/98/85/01/384988501.db2.gz KEBUNFJGQSXZFA-GXTWGEPZSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccns1 ZINC000404437391 384989651 /nfs/dbraw/zinc/98/96/51/384989651.db2.gz DMEZSMANBGIIIR-DTWKUNHWSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccns1 ZINC000404437391 384989656 /nfs/dbraw/zinc/98/96/56/384989656.db2.gz DMEZSMANBGIIIR-DTWKUNHWSA-N 2 1 211.334 1.312 20 0 BDADMP CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000644588781 384990593 /nfs/dbraw/zinc/99/05/93/384990593.db2.gz UFEXGGTVMBMSQI-QWHCGFSZSA-N 2 1 228.380 1.325 20 0 BDADMP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000249894083 385007132 /nfs/dbraw/zinc/00/71/32/385007132.db2.gz RDRKDGINXGQPTI-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000310367241 385008069 /nfs/dbraw/zinc/00/80/69/385008069.db2.gz WNBJQRLDPRZVHT-MELADBBJSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+]1CCC(N2CCC[N@@H+](CC)CC2)CC1 ZINC000336312253 385015473 /nfs/dbraw/zinc/01/54/73/385015473.db2.gz DHWPOHFPPIHFRH-UHFFFAOYSA-N 2 1 239.407 1.498 20 0 BDADMP CC(C)COCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226468286 385016505 /nfs/dbraw/zinc/01/65/05/385016505.db2.gz QLQQNTHCTRWGKR-ZDUSSCGKSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC000404488412 385019672 /nfs/dbraw/zinc/01/96/72/385019672.db2.gz FFZFMBSSJAPNEM-DTWKUNHWSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000404488412 385019674 /nfs/dbraw/zinc/01/96/74/385019674.db2.gz FFZFMBSSJAPNEM-DTWKUNHWSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000226439714 385020558 /nfs/dbraw/zinc/02/05/58/385020558.db2.gz GFRGGDJNIFQADD-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCC[NH+](C)C1 ZINC000259128598 384961292 /nfs/dbraw/zinc/96/12/92/384961292.db2.gz WMUPMUNUZQPUTQ-KGLIPLIRSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCC[N@H+](C)C1 ZINC000259128598 384961300 /nfs/dbraw/zinc/96/13/00/384961300.db2.gz WMUPMUNUZQPUTQ-KGLIPLIRSA-N 3 1 239.407 1.260 20 0 BDADMP C[NH+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000259128598 384961309 /nfs/dbraw/zinc/96/13/09/384961309.db2.gz WMUPMUNUZQPUTQ-KGLIPLIRSA-N 3 1 239.407 1.260 20 0 BDADMP CN1CCC[C@H](C[N@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000259128598 384961315 /nfs/dbraw/zinc/96/13/15/384961315.db2.gz WMUPMUNUZQPUTQ-KGLIPLIRSA-N 2 1 239.407 1.260 20 0 BDADMP CN1CCC[C@H](C[N@@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000259128598 384961326 /nfs/dbraw/zinc/96/13/26/384961326.db2.gz WMUPMUNUZQPUTQ-KGLIPLIRSA-N 2 1 239.407 1.260 20 0 BDADMP CC(C)C[C@@H](C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000300907525 385047637 /nfs/dbraw/zinc/04/76/37/385047637.db2.gz LMVIJQWTRQMBKK-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)C[C@@H](C)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000300907525 385047647 /nfs/dbraw/zinc/04/76/47/385047647.db2.gz LMVIJQWTRQMBKK-NEPJUHHUSA-N 2 1 214.353 1.328 20 0 BDADMP Cc1cccc(N2CCC[C@H]([C@H](C)[NH3+])C2)[nH+]1 ZINC000226955328 385074499 /nfs/dbraw/zinc/07/44/99/385074499.db2.gz HRWVAAVQSIDJFH-RYUDHWBXSA-N 2 1 219.332 1.954 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000404512819 385024355 /nfs/dbraw/zinc/02/43/55/385024355.db2.gz RZCQSWMGMFHTAH-VHSXEESVSA-N 2 1 225.361 1.560 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccns2)C[C@H]1C[NH3+] ZINC000404512819 385024360 /nfs/dbraw/zinc/02/43/60/385024360.db2.gz RZCQSWMGMFHTAH-VHSXEESVSA-N 2 1 225.361 1.560 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1(C)CC1)C1CC1 ZINC000644635417 385037969 /nfs/dbraw/zinc/03/79/69/385037969.db2.gz HXNLHRTVLIVTRQ-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1(C)CC1)C1CC1 ZINC000644635417 385037975 /nfs/dbraw/zinc/03/79/75/385037975.db2.gz HXNLHRTVLIVTRQ-LBPRGKRZSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCOC2)CC[N@@H+]1C ZINC000309148166 385108049 /nfs/dbraw/zinc/10/80/49/385108049.db2.gz VRXIGMVXZWRJLO-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCOC2)CC[N@H+]1C ZINC000309148166 385108052 /nfs/dbraw/zinc/10/80/52/385108052.db2.gz VRXIGMVXZWRJLO-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CCO[C@H]1C ZINC000308798195 385114556 /nfs/dbraw/zinc/11/45/56/385114556.db2.gz CYSKOAKLPLHOCD-SDDRHHMPSA-N 2 1 214.353 1.374 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227365179 385123118 /nfs/dbraw/zinc/12/31/18/385123118.db2.gz ZJKQFXOQAWCRJJ-IINYFYTJSA-N 2 1 249.358 1.568 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000227167822 385101301 /nfs/dbraw/zinc/10/13/01/385101301.db2.gz XYLYITNETPZYED-KBPBESRZSA-N 2 1 237.391 1.156 20 0 BDADMP CCCCN1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000310534513 385101754 /nfs/dbraw/zinc/10/17/54/385101754.db2.gz OWVKCJJAEFYEDL-CYBMUJFWSA-N 2 1 241.423 1.968 20 0 BDADMP CCCn1cc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000401776229 385141092 /nfs/dbraw/zinc/14/10/92/385141092.db2.gz NFNNBKHJXRIFJD-UHFFFAOYSA-N 2 1 247.346 1.359 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000310527199 385105291 /nfs/dbraw/zinc/10/52/91/385105291.db2.gz XHWUOUHPZZIDLL-OBJOEFQTSA-N 2 1 238.375 1.173 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000310527199 385105295 /nfs/dbraw/zinc/10/52/95/385105295.db2.gz XHWUOUHPZZIDLL-OBJOEFQTSA-N 2 1 238.375 1.173 20 0 BDADMP Cn1c(NCC[NH3+])[nH+]c2cccc(F)c21 ZINC000107205471 385188885 /nfs/dbraw/zinc/18/88/85/385188885.db2.gz OWXGIIZXYRAKJJ-UHFFFAOYSA-N 2 1 208.240 1.083 20 0 BDADMP Cc1ccncc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227423954 385145032 /nfs/dbraw/zinc/14/50/32/385145032.db2.gz LEDYLPMGEMEOQK-STQMWFEESA-N 2 1 233.359 1.949 20 0 BDADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313014948 385147755 /nfs/dbraw/zinc/14/77/55/385147755.db2.gz WZUUOYDAZPPBIS-UPJWGTAASA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCOC1 ZINC000230001137 385157301 /nfs/dbraw/zinc/15/73/01/385157301.db2.gz CTNYPMQFSNATPF-OAHLLOKOSA-N 2 1 248.370 1.874 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000163482325 385159733 /nfs/dbraw/zinc/15/97/33/385159733.db2.gz BOTXHBULYCASPG-SMDDNHRTSA-N 2 1 233.359 1.807 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000161505282 385172221 /nfs/dbraw/zinc/17/22/21/385172221.db2.gz QQJHPEWJSKTBDW-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+](CCc1ccccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000152427072 385180975 /nfs/dbraw/zinc/18/09/75/385180975.db2.gz LWTIZKUZKRJYCP-CQSZACIVSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1ccccn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152427072 385180980 /nfs/dbraw/zinc/18/09/80/385180980.db2.gz LWTIZKUZKRJYCP-CQSZACIVSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1ccccn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152427072 385180990 /nfs/dbraw/zinc/18/09/90/385180990.db2.gz LWTIZKUZKRJYCP-CQSZACIVSA-N 2 1 247.386 1.898 20 0 BDADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH3+])c1 ZINC000165953870 385210916 /nfs/dbraw/zinc/21/09/16/385210916.db2.gz QHCXMEOCGUUYGZ-NSHDSACASA-N 2 1 249.358 1.102 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+]1C ZINC000252712656 385214261 /nfs/dbraw/zinc/21/42/61/385214261.db2.gz MZQCBTLRXTZREW-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000252712656 385214269 /nfs/dbraw/zinc/21/42/69/385214269.db2.gz MZQCBTLRXTZREW-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000252712656 385214273 /nfs/dbraw/zinc/21/42/73/385214273.db2.gz MZQCBTLRXTZREW-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000252712656 385214279 /nfs/dbraw/zinc/21/42/79/385214279.db2.gz MZQCBTLRXTZREW-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000252712656 385214282 /nfs/dbraw/zinc/21/42/82/385214282.db2.gz MZQCBTLRXTZREW-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000336691754 385249359 /nfs/dbraw/zinc/24/93/59/385249359.db2.gz HEGRMUVDNYNBSV-OLZOCXBDSA-N 2 1 236.363 1.121 20 0 BDADMP COC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000167307698 385309301 /nfs/dbraw/zinc/30/93/01/385309301.db2.gz GCDDMOIVLUJPSD-QWRGUYRKSA-N 2 1 225.336 1.452 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)CC[N@H+]1C ZINC000178429283 385258646 /nfs/dbraw/zinc/25/86/46/385258646.db2.gz IPCUVCUCRHZGBG-FRRDWIJNSA-N 2 1 242.407 1.856 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157840286 385296382 /nfs/dbraw/zinc/29/63/82/385296382.db2.gz WAFJYAZLLNGTOU-WOPDTQHZSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCn2cccn2)[C@H]1C ZINC000316795301 385330720 /nfs/dbraw/zinc/33/07/20/385330720.db2.gz GNNSJHICLCLTGS-AGIUHOORSA-N 2 1 236.363 1.331 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCn2cccn2)[C@H]1C ZINC000316795301 385330723 /nfs/dbraw/zinc/33/07/23/385330723.db2.gz GNNSJHICLCLTGS-AGIUHOORSA-N 2 1 236.363 1.331 20 0 BDADMP CC[NH+](CC)CCCN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644735036 385351370 /nfs/dbraw/zinc/35/13/70/385351370.db2.gz QLSJSCSRPQSZQF-ZIAGYGMSSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+](CC)CCCN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644735019 385352024 /nfs/dbraw/zinc/35/20/24/385352024.db2.gz QLSJSCSRPQSZQF-KBPBESRZSA-N 2 1 239.407 1.354 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000165169375 385358181 /nfs/dbraw/zinc/35/81/81/385358181.db2.gz ICZJRZDZSFWYFR-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCCO ZINC000192908161 385376296 /nfs/dbraw/zinc/37/62/96/385376296.db2.gz NSFXSYAXJKJMKQ-UHFFFAOYSA-N 2 1 237.347 1.400 20 0 BDADMP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000400168273 385326723 /nfs/dbraw/zinc/32/67/23/385326723.db2.gz MCXUCKVLLWXSAE-FZMZJTMJSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@H]1C[N@@H+](CC(C)(C)COC)CC[C@@H]1[NH3+] ZINC000647497868 385408054 /nfs/dbraw/zinc/40/80/54/385408054.db2.gz YLSMGJYOPYQVMY-RYUDHWBXSA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@@H]1CN(Cc2[nH]ncc2C)CC[C@H]1[NH3+] ZINC000647497501 385409861 /nfs/dbraw/zinc/40/98/61/385409861.db2.gz JOXNAOWBYQXPLZ-GHMZBOCLSA-N 2 1 222.336 1.277 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)[C@H]1C ZINC000309093029 385413964 /nfs/dbraw/zinc/41/39/64/385413964.db2.gz BWFGOBDUUKZOTJ-NTZNESFSSA-N 2 1 208.349 1.882 20 0 BDADMP CC[C@H]1C[N@H+](Cc2c[nH]nc2C)CC[C@H]1[NH3+] ZINC000647498435 385420281 /nfs/dbraw/zinc/42/02/81/385420281.db2.gz HBYCHEXNADCWDL-CMPLNLGQSA-N 2 1 222.336 1.277 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2C)CC[C@H]1[NH3+] ZINC000647498435 385420285 /nfs/dbraw/zinc/42/02/85/385420285.db2.gz HBYCHEXNADCWDL-CMPLNLGQSA-N 2 1 222.336 1.277 20 0 BDADMP CCc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)o1 ZINC000194538793 385440095 /nfs/dbraw/zinc/44/00/95/385440095.db2.gz MSLHIJKEINRYTB-TXEJJXNPSA-N 2 1 234.343 1.835 20 0 BDADMP CCn1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1 ZINC000393849190 385471284 /nfs/dbraw/zinc/47/12/84/385471284.db2.gz ITXMJNKFTZEFKR-DGCLKSJQSA-N 2 1 236.363 1.320 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1 ZINC000393849190 385471288 /nfs/dbraw/zinc/47/12/88/385471288.db2.gz ITXMJNKFTZEFKR-DGCLKSJQSA-N 2 1 236.363 1.320 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000295161407 385462533 /nfs/dbraw/zinc/46/25/33/385462533.db2.gz KNIATKSQVBSBBB-LBPRGKRZSA-N 2 1 221.348 1.820 20 0 BDADMP C([C@@H]1CCCCO1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257745226 385496214 /nfs/dbraw/zinc/49/62/14/385496214.db2.gz ZOBYPZWTSWLLOR-KBPBESRZSA-N 2 1 238.375 1.631 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2CSC2)CC1 ZINC000258052390 385529551 /nfs/dbraw/zinc/52/95/51/385529551.db2.gz KBOMJYDHHGLQET-VIFPVBQESA-N 2 1 200.351 1.176 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000309328942 385534894 /nfs/dbraw/zinc/53/48/94/385534894.db2.gz HGYPIKBXHMEASL-UPJWGTAASA-N 2 1 228.380 1.730 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000309328942 385534899 /nfs/dbraw/zinc/53/48/99/385534899.db2.gz HGYPIKBXHMEASL-UPJWGTAASA-N 2 1 228.380 1.730 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000643030411 385525674 /nfs/dbraw/zinc/52/56/74/385525674.db2.gz RMKPQJSTNYWVDG-BDAKNGLRSA-N 2 1 231.303 1.640 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC1([NH+](C)C)CCCC1 ZINC000309389316 385560453 /nfs/dbraw/zinc/56/04/53/385560453.db2.gz HITFEWIKQONWDJ-GFCCVEGCSA-N 3 1 227.396 1.578 20 0 BDADMP CC[NH+](CC)CCN1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000365008280 385563028 /nfs/dbraw/zinc/56/30/28/385563028.db2.gz KJZDYQLGXNEBFB-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP Cn1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250614388 385603994 /nfs/dbraw/zinc/60/39/94/385603994.db2.gz AWBOTEDFUAKKNQ-KGLIPLIRSA-N 2 1 233.359 1.742 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC000309438630 385581221 /nfs/dbraw/zinc/58/12/21/385581221.db2.gz NOECAHGGAVOSGL-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC000309438630 385581223 /nfs/dbraw/zinc/58/12/23/385581223.db2.gz NOECAHGGAVOSGL-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000309438630 385581225 /nfs/dbraw/zinc/58/12/25/385581225.db2.gz NOECAHGGAVOSGL-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000309438630 385581227 /nfs/dbraw/zinc/58/12/27/385581227.db2.gz NOECAHGGAVOSGL-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP C[N@H+](CCN)[C@H]1CCCc2ccccc21 ZINC000054417001 385582456 /nfs/dbraw/zinc/58/24/56/385582456.db2.gz UJERWGDURRMEBG-ZDUSSCGKSA-N 2 1 204.317 1.955 20 0 BDADMP C[N@@H+](CCN)[C@H]1CCCc2ccccc21 ZINC000054417001 385582460 /nfs/dbraw/zinc/58/24/60/385582460.db2.gz UJERWGDURRMEBG-ZDUSSCGKSA-N 2 1 204.317 1.955 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000309497192 385618206 /nfs/dbraw/zinc/61/82/06/385618206.db2.gz YRQSGMAAJOYNPS-UHFFFAOYSA-N 2 1 222.336 1.150 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(O)c1 ZINC000414849312 385625731 /nfs/dbraw/zinc/62/57/31/385625731.db2.gz XZBXZDGOQPROOB-SNVBAGLBSA-N 2 1 208.305 1.337 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000082645560 385627123 /nfs/dbraw/zinc/62/71/23/385627123.db2.gz HZUHCUBNNLRXTF-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CC2)CC1 ZINC000337340516 385610013 /nfs/dbraw/zinc/61/00/13/385610013.db2.gz STOXNJAGODQLTQ-UHFFFAOYSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)C1 ZINC000054768060 385640260 /nfs/dbraw/zinc/64/02/60/385640260.db2.gz XKNQSHIMZHYOBS-LBPRGKRZSA-N 2 1 234.347 1.297 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)C1 ZINC000054768060 385640267 /nfs/dbraw/zinc/64/02/67/385640267.db2.gz XKNQSHIMZHYOBS-LBPRGKRZSA-N 2 1 234.347 1.297 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647910671 385649082 /nfs/dbraw/zinc/64/90/82/385649082.db2.gz UTQWTQUUEPNJPL-BETUJISGSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CNC[C@H](C)[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647910671 385649085 /nfs/dbraw/zinc/64/90/85/385649085.db2.gz UTQWTQUUEPNJPL-BETUJISGSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+](CCCO)CCC1CC[NH2+]CC1 ZINC000309546194 385679583 /nfs/dbraw/zinc/67/95/83/385679583.db2.gz BQPMDDZSZHWOIA-UHFFFAOYSA-N 2 1 214.353 1.080 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000310972361 385778825 /nfs/dbraw/zinc/77/88/25/385778825.db2.gz RLYOGDNZKLGVFY-KGLIPLIRSA-N 2 1 248.374 1.416 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000414857398 385724450 /nfs/dbraw/zinc/72/44/50/385724450.db2.gz DDCYQDZJAXGYMS-UHFFFAOYSA-N 2 1 247.346 1.045 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414948099 385804780 /nfs/dbraw/zinc/80/47/80/385804780.db2.gz XNNZSQOXYOCZSM-WCQYABFASA-N 2 1 236.363 1.552 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000521426620 385814098 /nfs/dbraw/zinc/81/40/98/385814098.db2.gz JOMMKFXASQDQEJ-MJBXVCDLSA-N 2 1 242.407 1.856 20 0 BDADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414950534 385818662 /nfs/dbraw/zinc/81/86/62/385818662.db2.gz OVRPKHQRMPWNAO-VXGBXAGGSA-N 2 1 236.363 1.694 20 0 BDADMP CC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)OC ZINC000412977982 385824392 /nfs/dbraw/zinc/82/43/92/385824392.db2.gz OLRSFUNAKCPWSH-NWDGAFQWSA-N 2 1 214.353 1.295 20 0 BDADMP CC(C)(N)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632527 385828182 /nfs/dbraw/zinc/82/81/82/385828182.db2.gz GSYKQDFDMZPLSK-NEPJUHHUSA-N 2 1 225.380 1.045 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632527 385828186 /nfs/dbraw/zinc/82/81/86/385828186.db2.gz GSYKQDFDMZPLSK-NEPJUHHUSA-N 2 1 225.380 1.045 20 0 BDADMP COc1cc(C)nc(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000414869611 385839477 /nfs/dbraw/zinc/83/94/77/385839477.db2.gz AXBTXSFGUUKDPA-VIFPVBQESA-N 2 1 223.320 1.083 20 0 BDADMP C[C@@H]1OCC[C@H]1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000414956483 385846749 /nfs/dbraw/zinc/84/67/49/385846749.db2.gz ORNPAOGTBVJOLO-NILFDRSVSA-N 2 1 246.354 1.640 20 0 BDADMP COc1cc(C)c(C[NH2+]CC2([NH3+])CCC2)c(C)n1 ZINC000414870273 385849107 /nfs/dbraw/zinc/84/91/07/385849107.db2.gz BXWYYWSUXJJNDV-UHFFFAOYSA-N 2 1 249.358 1.678 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336741467 385858911 /nfs/dbraw/zinc/85/89/11/385858911.db2.gz RCTCEVZWTWHTPQ-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336741467 385858913 /nfs/dbraw/zinc/85/89/13/385858913.db2.gz RCTCEVZWTWHTPQ-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP COC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122184622 385892430 /nfs/dbraw/zinc/89/24/30/385892430.db2.gz RWAIRJHDUJCTKK-QWRGUYRKSA-N 2 1 214.353 1.484 20 0 BDADMP COc1ccccc1CCC[N@@H+](C)CCC[NH3+] ZINC000647847240 385896682 /nfs/dbraw/zinc/89/66/82/385896682.db2.gz IPVNMYSOSMDLDV-UHFFFAOYSA-N 2 1 236.359 1.908 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccn1 ZINC000122296756 385896794 /nfs/dbraw/zinc/89/67/94/385896794.db2.gz BWUZLEDGYPBGCW-GHMZBOCLSA-N 2 1 205.305 1.251 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000414963469 385898260 /nfs/dbraw/zinc/89/82/60/385898260.db2.gz XNEXHEDZXKEIPV-MQYQWHSLSA-N 2 1 240.391 1.920 20 0 BDADMP C[N@@H+](CCC[NH3+])CCOCC(F)(F)C(F)F ZINC000647847664 385898592 /nfs/dbraw/zinc/89/85/92/385898592.db2.gz ZCPCRNTYTVZVJI-UHFFFAOYSA-N 2 1 246.248 1.184 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000335038165 385929257 /nfs/dbraw/zinc/92/92/57/385929257.db2.gz HFOMNLTXXYOUCZ-NWDGAFQWSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccnc1 ZINC000122328737 385910806 /nfs/dbraw/zinc/91/08/06/385910806.db2.gz SDQQBWIEYVEAPQ-ZYHUDNBSSA-N 2 1 205.305 1.251 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000342077436 385920751 /nfs/dbraw/zinc/92/07/51/385920751.db2.gz BUTMMRJJPPQKEP-UBHSHLNASA-N 2 1 246.358 1.344 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000342077436 385920756 /nfs/dbraw/zinc/92/07/56/385920756.db2.gz BUTMMRJJPPQKEP-UBHSHLNASA-N 2 1 246.358 1.344 20 0 BDADMP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CO2 ZINC000335032437 385921204 /nfs/dbraw/zinc/92/12/04/385921204.db2.gz KQEKUYAJLMYTFA-KBPBESRZSA-N 2 1 246.354 1.722 20 0 BDADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)o1 ZINC000336767577 385921438 /nfs/dbraw/zinc/92/14/38/385921438.db2.gz PRNWHXXJSHMHIL-UHFFFAOYSA-N 2 1 220.316 1.940 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)COCC1 ZINC000334502718 385923908 /nfs/dbraw/zinc/92/39/08/385923908.db2.gz JVKFQZDGRZKMCO-KBPBESRZSA-N 2 1 236.359 1.550 20 0 BDADMP CCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414971704 385975695 /nfs/dbraw/zinc/97/56/95/385975695.db2.gz IUYNDLVTXRXQGD-VXGBXAGGSA-N 2 1 213.369 1.058 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H]2CCC[C@@H]21 ZINC000414128213 385977056 /nfs/dbraw/zinc/97/70/56/385977056.db2.gz RUFCAFJZHJSFOI-XHJNMGKDSA-N 2 1 238.375 1.362 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000338355405 385977510 /nfs/dbraw/zinc/97/75/10/385977510.db2.gz JJHKGQBUTSPWPV-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000414132305 385979735 /nfs/dbraw/zinc/97/97/35/385979735.db2.gz AIXIVWYSMPLIMJ-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000414132305 385979739 /nfs/dbraw/zinc/97/97/39/385979739.db2.gz AIXIVWYSMPLIMJ-FVCCEPFGSA-N 2 1 226.364 1.484 20 0 BDADMP COc1c(O)cccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414880948 385981245 /nfs/dbraw/zinc/98/12/45/385981245.db2.gz RLFNNIWYZHPBFO-VIFPVBQESA-N 2 1 224.304 1.085 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000414972649 385988785 /nfs/dbraw/zinc/98/87/85/385988785.db2.gz BDZWFGSZWAVLBF-LLVKDONJSA-N 2 1 236.315 1.285 20 0 BDADMP Cc1ncccc1C[NH2+]CC1([NH3+])CCC1 ZINC000414878847 385941060 /nfs/dbraw/zinc/94/10/60/385941060.db2.gz HTSAFLQESHAXBE-UHFFFAOYSA-N 2 1 205.305 1.361 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000338304875 385951417 /nfs/dbraw/zinc/95/14/17/385951417.db2.gz PWNPPOMHRFFMGI-MELADBBJSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000338304872 385951512 /nfs/dbraw/zinc/95/15/12/385951512.db2.gz PWNPPOMHRFFMGI-IHRRRGAJSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1cnn(CC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000304326604 385951644 /nfs/dbraw/zinc/95/16/44/385951644.db2.gz CXXKEOUASYVYRY-NWDGAFQWSA-N 2 1 222.336 1.003 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C[C@H](C)O)C(C)C ZINC000338308832 385957221 /nfs/dbraw/zinc/95/72/21/385957221.db2.gz SREQKTCPVIMDFN-ZDUSSCGKSA-N 2 1 230.396 1.810 20 0 BDADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414880168 385961572 /nfs/dbraw/zinc/96/15/72/385961572.db2.gz JRCJUDLIBVHHEI-JGVFFNPUSA-N 2 1 210.243 1.669 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000414970869 385966312 /nfs/dbraw/zinc/96/63/12/385966312.db2.gz HEMOWCAADGYDQJ-FRRDWIJNSA-N 2 1 225.380 1.058 20 0 BDADMP CCC(C)(C)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647864589 385969306 /nfs/dbraw/zinc/96/93/06/385969306.db2.gz XSHTWVVZMKKXPK-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP CCC(C)(C)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647864589 385969311 /nfs/dbraw/zinc/96/93/11/385969311.db2.gz XSHTWVVZMKKXPK-VXGBXAGGSA-N 2 1 228.380 1.861 20 0 BDADMP CO[C@@H](C)C[N@@H+](CC(C)(C)[NH3+])C(C)C ZINC000336747252 385969750 /nfs/dbraw/zinc/96/97/50/385969750.db2.gz CFUFDNRDSQXPIU-JTQLQIEISA-N 2 1 202.342 1.469 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000338344569 385972899 /nfs/dbraw/zinc/97/28/99/385972899.db2.gz DBDYERXABYYZQA-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000338344569 385972906 /nfs/dbraw/zinc/97/29/06/385972906.db2.gz DBDYERXABYYZQA-CYBMUJFWSA-N 2 1 242.407 1.811 20 0 BDADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976527 386023009 /nfs/dbraw/zinc/02/30/09/386023009.db2.gz OGKJPFCFXLNDRQ-STQMWFEESA-N 2 1 227.396 1.304 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCC(F)(F)C1 ZINC000336753422 386023344 /nfs/dbraw/zinc/02/33/44/386023344.db2.gz WHUOGMQLKARIIQ-NXEZZACHSA-N 2 1 236.306 1.063 20 0 BDADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977157 386028631 /nfs/dbraw/zinc/02/86/31/386028631.db2.gz PDIYLEPUGPAWPF-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414978825 386034123 /nfs/dbraw/zinc/03/41/23/386034123.db2.gz SOJCKGXRBWSJFY-ZFWWWQNUSA-N 2 1 247.386 1.283 20 0 BDADMP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cn[nH]c1 ZINC000222492221 386050323 /nfs/dbraw/zinc/05/03/23/386050323.db2.gz LTUDHXYSILRXHQ-NHCYSSNCSA-N 2 1 222.336 1.543 20 0 BDADMP CSCCN1CCC2(CCC[N@H+]2C)CC1 ZINC000335990756 386104377 /nfs/dbraw/zinc/10/43/77/386104377.db2.gz SVSREUUWPKEEJH-UHFFFAOYSA-N 2 1 228.405 1.910 20 0 BDADMP CSCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335990756 386104380 /nfs/dbraw/zinc/10/43/80/386104380.db2.gz SVSREUUWPKEEJH-UHFFFAOYSA-N 2 1 228.405 1.910 20 0 BDADMP CSCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335990756 386104383 /nfs/dbraw/zinc/10/43/83/386104383.db2.gz SVSREUUWPKEEJH-UHFFFAOYSA-N 2 1 228.405 1.910 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(F)cc1C ZINC000414986643 386113941 /nfs/dbraw/zinc/11/39/41/386113941.db2.gz XYTLROPMJNSUAL-LBPRGKRZSA-N 2 1 210.296 1.961 20 0 BDADMP C[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C ZINC000608088723 386068923 /nfs/dbraw/zinc/06/89/23/386068923.db2.gz ONEVBXCOTUMVEA-NXEZZACHSA-N 2 1 245.330 1.853 20 0 BDADMP C[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1C ZINC000608088723 386068929 /nfs/dbraw/zinc/06/89/29/386068929.db2.gz ONEVBXCOTUMVEA-NXEZZACHSA-N 2 1 245.330 1.853 20 0 BDADMP CSC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000188053535 386083742 /nfs/dbraw/zinc/08/37/42/386083742.db2.gz NRWDTUYQVONKQH-GFCCVEGCSA-N 2 1 246.420 1.173 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000310195183 386160740 /nfs/dbraw/zinc/16/07/40/386160740.db2.gz ZJPBXMDUSUBINV-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000310195183 386160743 /nfs/dbraw/zinc/16/07/43/386160743.db2.gz ZJPBXMDUSUBINV-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000414687269 386170192 /nfs/dbraw/zinc/17/01/92/386170192.db2.gz CAATZXVOGLXXSU-GFCCVEGCSA-N 2 1 222.307 1.964 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000131013969 386190789 /nfs/dbraw/zinc/19/07/89/386190789.db2.gz JNOKSBYIDAVQTH-XQQFMLRXSA-N 2 1 231.343 1.954 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)CCn2cccn2)CC[NH2+]1 ZINC000414692175 386182615 /nfs/dbraw/zinc/18/26/15/386182615.db2.gz KFEIQNRJJRTTAH-CHWSQXEVSA-N 2 1 236.363 1.203 20 0 BDADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)CC1(C)C ZINC000414691373 386189228 /nfs/dbraw/zinc/18/92/28/386189228.db2.gz BKBGKRSMMYZLFV-LBPRGKRZSA-N 2 1 227.396 1.386 20 0 BDADMP COC(=O)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414706271 386220693 /nfs/dbraw/zinc/22/06/93/386220693.db2.gz LKAQPSNMAZRHPK-GHMZBOCLSA-N 2 1 240.347 1.012 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000414709261 386222910 /nfs/dbraw/zinc/22/29/10/386222910.db2.gz QRBMEXNPCCYKED-AGIUHOORSA-N 2 1 228.380 1.595 20 0 BDADMP CCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000347031149 386223425 /nfs/dbraw/zinc/22/34/25/386223425.db2.gz YDRGSWFDVMILBX-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000347031149 386223428 /nfs/dbraw/zinc/22/34/28/386223428.db2.gz YDRGSWFDVMILBX-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP CCOC(=O)C[C@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414710578 386225644 /nfs/dbraw/zinc/22/56/44/386225644.db2.gz LMWSZZZLTUHKBL-NWDGAFQWSA-N 2 1 244.379 1.633 20 0 BDADMP CCOC(=O)C[C@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414710578 386225648 /nfs/dbraw/zinc/22/56/48/386225648.db2.gz LMWSZZZLTUHKBL-NWDGAFQWSA-N 2 1 244.379 1.633 20 0 BDADMP CC(C)[C@H]1C[N@@H+](CCC[NH3+])CCS1 ZINC000414713412 386233474 /nfs/dbraw/zinc/23/34/74/386233474.db2.gz VSRLLLFFSAUXKS-SNVBAGLBSA-N 2 1 202.367 1.409 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000414716708 386237575 /nfs/dbraw/zinc/23/75/75/386237575.db2.gz SSAUGICRCZSOQD-ZDUSSCGKSA-N 2 1 241.423 1.647 20 0 BDADMP COC(=O)[C@]1(C)CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414714087 386239111 /nfs/dbraw/zinc/23/91/11/386239111.db2.gz WZBYINXMVXJPGA-DGCLKSJQSA-N 2 1 242.363 1.245 20 0 BDADMP COC(=O)[C@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414714087 386239113 /nfs/dbraw/zinc/23/91/13/386239113.db2.gz WZBYINXMVXJPGA-DGCLKSJQSA-N 2 1 242.363 1.245 20 0 BDADMP CC(C)(C)NCC[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415002363 386244205 /nfs/dbraw/zinc/24/42/05/386244205.db2.gz MDJXCVSCSXJZLK-NEPJUHHUSA-N 2 1 227.396 1.482 20 0 BDADMP CC(C)(C)[NH2+]CCNC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415002363 386244210 /nfs/dbraw/zinc/24/42/10/386244210.db2.gz MDJXCVSCSXJZLK-NEPJUHHUSA-N 2 1 227.396 1.482 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)[NH+](C)C ZINC000353512494 386251828 /nfs/dbraw/zinc/25/18/28/386251828.db2.gz CXBKVGMKIJWWJR-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N(C)C ZINC000353512494 386251832 /nfs/dbraw/zinc/25/18/32/386251832.db2.gz CXBKVGMKIJWWJR-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)N(C)C ZINC000353512494 386251838 /nfs/dbraw/zinc/25/18/38/386251838.db2.gz CXBKVGMKIJWWJR-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+]2[C@H](C)CNC[C@@H]2C)CC[NH2+]1 ZINC000414719360 386252995 /nfs/dbraw/zinc/25/29/95/386252995.db2.gz XZMUIILOPTULSV-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@@H](CN2[C@H](C)C[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000414719360 386252997 /nfs/dbraw/zinc/25/29/97/386252997.db2.gz XZMUIILOPTULSV-NDBYEHHHSA-N 2 1 225.380 1.057 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000347193916 386258309 /nfs/dbraw/zinc/25/83/09/386258309.db2.gz GKFMGRZSAJFGCL-NSHDSACASA-N 2 1 248.326 1.586 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000347193916 386258314 /nfs/dbraw/zinc/25/83/14/386258314.db2.gz GKFMGRZSAJFGCL-NSHDSACASA-N 2 1 248.326 1.586 20 0 BDADMP C[C@@]1(C[NH2+]Cc2ccccn2)CCC[NH2+]C1 ZINC000414896425 386200262 /nfs/dbraw/zinc/20/02/62/386200262.db2.gz BQELZRPYKUYOEX-CYBMUJFWSA-N 2 1 219.332 1.561 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885773 386285786 /nfs/dbraw/zinc/28/57/86/386285786.db2.gz OMXNPAQXFVMKGP-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP COC[C@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133231530 386287714 /nfs/dbraw/zinc/28/77/14/386287714.db2.gz PNGMVYWMXJQMII-NSHDSACASA-N 2 1 226.364 1.485 20 0 BDADMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc(OC)c1 ZINC000415004903 386292576 /nfs/dbraw/zinc/29/25/76/386292576.db2.gz IOLGVNIYHHPVEK-ZJUUUORDSA-N 2 1 238.331 1.529 20 0 BDADMP CC(C)[C@@H]1CN(CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000414733289 386295823 /nfs/dbraw/zinc/29/58/23/386295823.db2.gz DPKUCWMZYRNURB-ZDUSSCGKSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000414901803 386301184 /nfs/dbraw/zinc/30/11/84/386301184.db2.gz XLZLSRXWRZYRQG-ZCFIWIBFSA-N 2 1 236.241 1.255 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414901562 386307448 /nfs/dbraw/zinc/30/74/48/386307448.db2.gz GEMXWHOYWSOVIQ-HZSPNIEDSA-N 3 1 239.407 1.496 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336668724 386310194 /nfs/dbraw/zinc/31/01/94/386310194.db2.gz RCLVOXKAJDFLAD-GFCCVEGCSA-N 2 1 228.380 1.685 20 0 BDADMP CC[N@@H+](CCCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414737717 386314344 /nfs/dbraw/zinc/31/43/44/386314344.db2.gz HPPKHCAIYBPMJJ-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000414738415 386319521 /nfs/dbraw/zinc/31/95/21/386319521.db2.gz JGWWZKPYOMLYQV-WOPDTQHZSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336679529 386322872 /nfs/dbraw/zinc/32/28/72/386322872.db2.gz PMUHZQUHPHPPQP-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCCc2sccc2C1 ZINC000647884665 386263126 /nfs/dbraw/zinc/26/31/26/386263126.db2.gz VLCBZBCUGCIJQD-UHFFFAOYSA-N 2 1 240.372 1.472 20 0 BDADMP CCC[N@H+](Cc1c[nH]nc1C)C1CC[NH2+]CC1 ZINC000347160382 386264353 /nfs/dbraw/zinc/26/43/53/386264353.db2.gz GZGBLSUECLSGEI-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP CCC[N@@H+](Cc1c[nH]nc1C)C1CC[NH2+]CC1 ZINC000347160382 386264357 /nfs/dbraw/zinc/26/43/57/386264357.db2.gz GZGBLSUECLSGEI-UHFFFAOYSA-N 2 1 236.363 1.682 20 0 BDADMP OCCC[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000647884998 386271915 /nfs/dbraw/zinc/27/19/15/386271915.db2.gz VMJJFZJHGYVTMR-UHFFFAOYSA-N 2 1 226.364 1.223 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000647987602 386276576 /nfs/dbraw/zinc/27/65/76/386276576.db2.gz HWYSKDODFWVIEH-MGPQQGTHSA-N 3 1 237.391 1.060 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000647987602 386276580 /nfs/dbraw/zinc/27/65/80/386276580.db2.gz HWYSKDODFWVIEH-MGPQQGTHSA-N 3 1 237.391 1.060 20 0 BDADMP CCc1noc(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000334491357 386345338 /nfs/dbraw/zinc/34/53/38/386345338.db2.gz YARFZKXJPVKAHA-AWEZNQCLSA-N 2 1 249.358 1.731 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000334491357 386345341 /nfs/dbraw/zinc/34/53/41/386345341.db2.gz YARFZKXJPVKAHA-AWEZNQCLSA-N 2 1 249.358 1.731 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000414746595 386345808 /nfs/dbraw/zinc/34/58/08/386345808.db2.gz SLFKVKJNSBQEQR-SDDRHHMPSA-N 2 1 214.353 1.063 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000414746595 386345815 /nfs/dbraw/zinc/34/58/15/386345815.db2.gz SLFKVKJNSBQEQR-SDDRHHMPSA-N 2 1 214.353 1.063 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CC1CC1)CC[NH2+]CC2 ZINC000335278698 386346862 /nfs/dbraw/zinc/34/68/62/386346862.db2.gz NMXIFRSZLHTJGL-LLVKDONJSA-N 2 1 208.349 1.860 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CC2)[C@H](C)C1 ZINC000347308494 386351113 /nfs/dbraw/zinc/35/11/13/386351113.db2.gz BSBCAHQIWSUVSJ-KWCYVHTRSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CCCCCO)CC[NH2+]1 ZINC000414745581 386352121 /nfs/dbraw/zinc/35/21/21/386352121.db2.gz PMGALBBFCDOWLC-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CCNC(C)(C)C2)CC[NH2+]1 ZINC000335270736 386355246 /nfs/dbraw/zinc/35/52/46/386355246.db2.gz RSSOVJCAQMEFSO-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@H](CN2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC000335270736 386355255 /nfs/dbraw/zinc/35/52/55/386355255.db2.gz RSSOVJCAQMEFSO-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000347379752 386374592 /nfs/dbraw/zinc/37/45/92/386374592.db2.gz WLBUGWBKHQDSMX-LKSINWNRSA-N 2 1 238.375 1.770 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000347379752 386374595 /nfs/dbraw/zinc/37/45/95/386374595.db2.gz WLBUGWBKHQDSMX-LKSINWNRSA-N 2 1 238.375 1.770 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)CCC[C@@H](C)O)CC1 ZINC000336683911 386329693 /nfs/dbraw/zinc/32/96/93/386329693.db2.gz FKWLGBVINWEKDP-CYBMUJFWSA-N 2 1 242.407 1.952 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414740428 386332067 /nfs/dbraw/zinc/33/20/67/386332067.db2.gz LHYIQOWMIBCEKY-FRRDWIJNSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000414903431 386333645 /nfs/dbraw/zinc/33/36/45/386333645.db2.gz ZQGIIGPZZGQBLB-UPJWGTAASA-N 3 1 227.396 1.624 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1cncn1C)CC[NH2+]CC2 ZINC000335276483 386337984 /nfs/dbraw/zinc/33/79/84/386337984.db2.gz DWFLPMSEEDQMAC-GFCCVEGCSA-N 2 1 248.374 1.384 20 0 BDADMP Cc1[nH]nc2ncc(C[N@@H+](C)C3CC([NH3+])C3)cc12 ZINC000414767684 386440343 /nfs/dbraw/zinc/44/03/43/386440343.db2.gz GQJMLYJREXPSQX-UHFFFAOYSA-N 2 1 245.330 1.188 20 0 BDADMP Cc1[nH]nc2ncc(C[N@H+](C)C3CC([NH3+])C3)cc12 ZINC000414767684 386440349 /nfs/dbraw/zinc/44/03/49/386440349.db2.gz GQJMLYJREXPSQX-UHFFFAOYSA-N 2 1 245.330 1.188 20 0 BDADMP CO[C@@H](C)C[N@H+](CCn1cc[nH+]c1C)C(C)C ZINC000336715795 386442696 /nfs/dbraw/zinc/44/26/96/386442696.db2.gz VDNPDQXEMLPUJR-LBPRGKRZSA-N 2 1 239.363 1.937 20 0 BDADMP CO[C@@H](C)C[N@@H+](CCn1cc[nH+]c1C)C(C)C ZINC000336715795 386442698 /nfs/dbraw/zinc/44/26/98/386442698.db2.gz VDNPDQXEMLPUJR-LBPRGKRZSA-N 2 1 239.363 1.937 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1c(C)noc1C ZINC000647992218 386450055 /nfs/dbraw/zinc/45/00/55/386450055.db2.gz SNVRBDPFHDNQOB-RYUDHWBXSA-N 2 1 237.347 1.942 20 0 BDADMP CN(Cc1cncn1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336700031 386388109 /nfs/dbraw/zinc/38/81/09/386388109.db2.gz KYIFKDNYHBUSDS-GFCCVEGCSA-N 2 1 234.347 1.089 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000336700041 386388250 /nfs/dbraw/zinc/38/82/50/386388250.db2.gz NFVYCKYHUCOVHA-NQBHXWOUSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@H](C[NH+](C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336700041 386388253 /nfs/dbraw/zinc/38/82/53/386388253.db2.gz NFVYCKYHUCOVHA-NQBHXWOUSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336703719 386390388 /nfs/dbraw/zinc/39/03/88/386390388.db2.gz BQJAMSMSJSVKOC-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1F ZINC000415008584 386394527 /nfs/dbraw/zinc/39/45/27/386394527.db2.gz MWBBIDOVGYXAFO-VHSXEESVSA-N 2 1 210.296 1.959 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCOC1)CC[NH2+]CC2 ZINC000335280005 386395282 /nfs/dbraw/zinc/39/52/82/386395282.db2.gz QHMNPXVQUSLDQS-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP CC(C)[N@@H+](CCc1cncn1C)C1CC1 ZINC000290112925 386395555 /nfs/dbraw/zinc/39/55/55/386395555.db2.gz SWRGTCKSJGSZLV-UHFFFAOYSA-N 2 1 207.321 1.835 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000414757453 386402994 /nfs/dbraw/zinc/40/29/94/386402994.db2.gz LDUXQYWMKZZYJT-XJFOESAGSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1COc2ccccc2C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647991227 386408669 /nfs/dbraw/zinc/40/86/69/386408669.db2.gz MUXRATZDKUYYME-CHWSQXEVSA-N 2 1 246.354 1.879 20 0 BDADMP C[C@@H]1COc2ccccc2C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647991227 386408672 /nfs/dbraw/zinc/40/86/72/386408672.db2.gz MUXRATZDKUYYME-CHWSQXEVSA-N 2 1 246.354 1.879 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000093466167 386417178 /nfs/dbraw/zinc/41/71/78/386417178.db2.gz LXBZTSHXDFVMES-BXKDBHETSA-N 2 1 237.347 1.912 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](O)C(C)(C)C2)CC[NH2+]1 ZINC000414761997 386422337 /nfs/dbraw/zinc/42/23/37/386422337.db2.gz VEZXIJJCVRCSAZ-GRYCIOLGSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000414761942 386422617 /nfs/dbraw/zinc/42/26/17/386422617.db2.gz VCJJASVTVYFENC-MBJXGIAVSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762692 386426117 /nfs/dbraw/zinc/42/61/17/386426117.db2.gz AVURYEFEPRQIDM-FVCCEPFGSA-N 2 1 208.349 1.574 20 0 BDADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCC[NH3+])C1 ZINC000414763277 386427272 /nfs/dbraw/zinc/42/72/72/386427272.db2.gz XGYBDTOOOCGDBI-ZDUSSCGKSA-N 2 1 242.363 1.246 20 0 BDADMP CCC1(CC)CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000094803565 386469285 /nfs/dbraw/zinc/46/92/85/386469285.db2.gz WCKVQFPRNYEHQI-UHFFFAOYSA-N 2 1 239.407 1.404 20 0 BDADMP CC[C@H]1C[N@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000647934906 386483021 /nfs/dbraw/zinc/48/30/21/386483021.db2.gz UONSJNHFFPTHTM-UWVGGRQHSA-N 2 1 236.306 1.327 20 0 BDADMP CC[C@H]1C[N@@H+](CCOCC(F)F)CC[C@@H]1[NH3+] ZINC000647934906 386483026 /nfs/dbraw/zinc/48/30/26/386483026.db2.gz UONSJNHFFPTHTM-UWVGGRQHSA-N 2 1 236.306 1.327 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC3)CC[N@H+]1C ZINC000417331894 386502093 /nfs/dbraw/zinc/50/20/93/386502093.db2.gz CHHHSLPDZZWIQS-IJLUTSLNSA-N 2 1 208.349 1.859 20 0 BDADMP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)COC1 ZINC000393975178 386513836 /nfs/dbraw/zinc/51/38/36/386513836.db2.gz UUFSJPGMLCTNLH-RWMBFGLXSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000340371807 386515818 /nfs/dbraw/zinc/51/58/18/386515818.db2.gz QDYOJEIWTKMTRF-QWHCGFSZSA-N 2 1 236.363 1.346 20 0 BDADMP C(=C/c1ccccc1)\C[NH2+]C1[C@H]2C[NH2+]C[C@@H]12 ZINC000415030237 386519343 /nfs/dbraw/zinc/51/93/43/386519343.db2.gz DSLDSPMPIURYLC-KZSJGZQLSA-N 2 1 214.312 1.507 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000336754621 386522353 /nfs/dbraw/zinc/52/23/53/386522353.db2.gz FTHGAZVMTZZLOV-YNEHKIRRSA-N 2 1 228.380 1.587 20 0 BDADMP CC[C@H]1C[N@@H+](CCCOC(C)C)CC[C@@H]1[NH3+] ZINC000647936459 386525707 /nfs/dbraw/zinc/52/57/07/386525707.db2.gz FJBMZKJLKOXXFW-STQMWFEESA-N 2 1 228.380 1.861 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1cccc(O)c1)C1CCCC1 ZINC000415041941 386526943 /nfs/dbraw/zinc/52/69/43/386526943.db2.gz LWUUHTASASVJAN-AWEZNQCLSA-N 2 1 234.343 1.999 20 0 BDADMP CC(C)(C)NCC[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415041676 386527617 /nfs/dbraw/zinc/52/76/17/386527617.db2.gz QBQKSLSFVQTYAE-GHMZBOCLSA-N 2 1 213.369 1.092 20 0 BDADMP CC(C)(C)[NH2+]CCN[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415041676 386527622 /nfs/dbraw/zinc/52/76/22/386527622.db2.gz QBQKSLSFVQTYAE-GHMZBOCLSA-N 2 1 213.369 1.092 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000414799347 386581888 /nfs/dbraw/zinc/58/18/88/386581888.db2.gz REBZHZOOVOWTLN-DGCLKSJQSA-N 2 1 244.342 1.551 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000415078752 386589155 /nfs/dbraw/zinc/58/91/55/386589155.db2.gz GXVUQZAXBHBENI-WDEREUQCSA-N 2 1 224.373 1.878 20 0 BDADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1F ZINC000414800955 386590961 /nfs/dbraw/zinc/59/09/61/386590961.db2.gz LRJXXZWIEGJJSK-CYBMUJFWSA-N 2 1 222.307 1.961 20 0 BDADMP COCc1cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414801120 386591378 /nfs/dbraw/zinc/59/13/78/386591378.db2.gz TVTYFIOVDWXMJS-CQSZACIVSA-N 2 1 236.359 1.906 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000062911682 386532646 /nfs/dbraw/zinc/53/26/46/386532646.db2.gz PJWPFKQNUXFPQN-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CCN(CC)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000062980222 386541391 /nfs/dbraw/zinc/54/13/91/386541391.db2.gz QGRHWNJMMLEXEE-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+](CC)[C@@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000062980222 386541395 /nfs/dbraw/zinc/54/13/95/386541395.db2.gz QGRHWNJMMLEXEE-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)(C)[C@@H](CN)[NH2+]Cc1cccnc1 ZINC000415061549 386541734 /nfs/dbraw/zinc/54/17/34/386541734.db2.gz YLKPMLODSWKHDB-LLVKDONJSA-N 2 1 207.321 1.545 20 0 BDADMP CC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000228093418 386542390 /nfs/dbraw/zinc/54/23/90/386542390.db2.gz WWQBLIKGCXAVND-ZDUSSCGKSA-N 2 1 249.358 1.063 20 0 BDADMP C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000647995231 386547841 /nfs/dbraw/zinc/54/78/41/386547841.db2.gz HPODHWIDNHKFQE-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415067426 386548992 /nfs/dbraw/zinc/54/89/92/386548992.db2.gz PDZCJKQCGOREBP-CMPLNLGQSA-N 2 1 214.353 1.519 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415067905 386550636 /nfs/dbraw/zinc/55/06/36/386550636.db2.gz LPBORQMXDBIGDQ-QWRGUYRKSA-N 2 1 200.326 1.143 20 0 BDADMP C1C[C@@H]2[C@@H](CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)O1 ZINC000415084211 386597310 /nfs/dbraw/zinc/59/73/10/386597310.db2.gz GCLWKGZISRXEET-YVECIDJPSA-N 2 1 224.348 1.286 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414795970 386563388 /nfs/dbraw/zinc/56/33/88/386563388.db2.gz BGALDFPTNJOETR-UHFFFAOYSA-N 2 1 244.342 1.699 20 0 BDADMP Cn1cncc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000267647067 386566087 /nfs/dbraw/zinc/56/60/87/386566087.db2.gz VJFHVKIQZYMVCY-CQSZACIVSA-N 2 1 245.326 1.586 20 0 BDADMP Cn1cncc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000267647067 386566095 /nfs/dbraw/zinc/56/60/95/386566095.db2.gz VJFHVKIQZYMVCY-CQSZACIVSA-N 2 1 245.326 1.586 20 0 BDADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])C1 ZINC000415073866 386570667 /nfs/dbraw/zinc/57/06/67/386570667.db2.gz YZGYODJPVZMNFR-FRRDWIJNSA-N 2 1 228.380 1.454 20 0 BDADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647976700 386570710 /nfs/dbraw/zinc/57/07/10/386570710.db2.gz SENBRTYWMCIFRP-CHWSQXEVSA-N 2 1 249.358 1.886 20 0 BDADMP COCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976216 386571119 /nfs/dbraw/zinc/57/11/19/386571119.db2.gz LMRYDXZFTHANDG-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@H](CO)[N@@H+](CC1CCC1)C[C@H]1CCC[NH2+]C1 ZINC000415103775 386623388 /nfs/dbraw/zinc/62/33/88/386623388.db2.gz JYDJQHKJPHNOKJ-JSGCOSHPSA-N 2 1 240.391 1.469 20 0 BDADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])C2CC2)CCO1 ZINC000414808337 386624707 /nfs/dbraw/zinc/62/47/07/386624707.db2.gz SEVZGTQMBANESW-UHTWSYAYSA-N 2 1 226.364 1.519 20 0 BDADMP CC[N@H+]1CC[C@H](NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000414808910 386625496 /nfs/dbraw/zinc/62/54/96/386625496.db2.gz LJRWINHYWPHTCZ-STQMWFEESA-N 2 1 241.423 1.824 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC([NH3+])CC1 ZINC000414814145 386640085 /nfs/dbraw/zinc/64/00/85/386640085.db2.gz NHLPMKCEAIYYIR-HTAVTVPLSA-N 3 1 213.369 1.363 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414814556 386643128 /nfs/dbraw/zinc/64/31/28/386643128.db2.gz ZHSFUNPHFQPAJY-BXUZGUMPSA-N 2 1 248.370 1.953 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC[C@H]([NH3+])CC(C)C ZINC000415082016 386599707 /nfs/dbraw/zinc/59/97/07/386599707.db2.gz NQMBSOUVPKFAGY-ZIAGYGMSSA-N 2 1 241.423 1.824 20 0 BDADMP c1ccc(N2CC[C@@H](C[NH2+][C@@H]3CC[NH2+]C3)C2)cc1 ZINC000415082486 386599911 /nfs/dbraw/zinc/59/99/11/386599911.db2.gz LVLLWFPZUDDECQ-UONOGXRCSA-N 2 1 245.370 1.464 20 0 BDADMP COC[C@H](CC(C)C)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000414922987 386601084 /nfs/dbraw/zinc/60/10/84/386601084.db2.gz GQVLXGJICMRCNO-RWMBFGLXSA-N 2 1 228.380 1.635 20 0 BDADMP COC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414922987 386601088 /nfs/dbraw/zinc/60/10/88/386601088.db2.gz GQVLXGJICMRCNO-RWMBFGLXSA-N 2 1 228.380 1.635 20 0 BDADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)on1 ZINC000647978653 386612777 /nfs/dbraw/zinc/61/27/77/386612777.db2.gz WHAVLIWMDKXFCC-OLZOCXBDSA-N 2 1 249.358 1.886 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])C[C@H]1C ZINC000414923750 386617813 /nfs/dbraw/zinc/61/78/13/386617813.db2.gz FTICLBCDIAWVBB-WISYIIOYSA-N 2 1 242.363 1.291 20 0 BDADMP C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414818648 386666648 /nfs/dbraw/zinc/66/66/48/386666648.db2.gz WIMSXGGYWHYUPE-IUODEOHRSA-N 2 1 247.386 1.938 20 0 BDADMP C[C@H](Cc1[nH]cc[nH+]1)OCCC1CC[NH2+]CC1 ZINC000520403071 386667185 /nfs/dbraw/zinc/66/71/85/386667185.db2.gz GSJXIYBVHLVXNT-LLVKDONJSA-N 2 1 237.347 1.747 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)C[NH3+])CC2 ZINC000414926778 386673820 /nfs/dbraw/zinc/67/38/20/386673820.db2.gz KWXBKOXUIRDNNO-MFKMUULPSA-N 2 1 234.343 1.489 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414818568 386657099 /nfs/dbraw/zinc/65/70/99/386657099.db2.gz FLQRDZUJVLWKKT-RWMBFGLXSA-N 3 1 227.396 1.624 20 0 BDADMP C[C@@H]1c2ccccc2CC[N@@H+]1CCOCC[NH3+] ZINC000357073507 386711570 /nfs/dbraw/zinc/71/15/70/386711570.db2.gz LWDHNKLEYVMJQP-GFCCVEGCSA-N 2 1 234.343 1.581 20 0 BDADMP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000520580633 386700058 /nfs/dbraw/zinc/70/00/58/386700058.db2.gz DETYIIVKKQJZDB-ZJUUUORDSA-N 2 1 238.335 1.535 20 0 BDADMP CCCn1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000414830532 386704855 /nfs/dbraw/zinc/70/48/55/386704855.db2.gz OPISTGYMGPDZLZ-LBPRGKRZSA-N 2 1 236.363 1.382 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000414840337 386738047 /nfs/dbraw/zinc/73/80/47/386738047.db2.gz NBRLQQCGKGJXRV-LBPRGKRZSA-N 3 1 241.423 1.694 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000357070918 386712720 /nfs/dbraw/zinc/71/27/20/386712720.db2.gz IZXXVLPPEZKWMW-HNNXBMFYSA-N 2 1 248.370 1.526 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414835079 386727286 /nfs/dbraw/zinc/72/72/86/386727286.db2.gz UTTJQWMMWKJLGR-QMMMGPOBSA-N 2 1 212.259 1.917 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+]CC2(N)CCCCC2)CC[NH2+]1 ZINC000414842833 386755033 /nfs/dbraw/zinc/75/50/33/386755033.db2.gz NAHIAURLQRZSLU-CHWSQXEVSA-N 2 1 239.407 1.626 20 0 BDADMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357358884 386768196 /nfs/dbraw/zinc/76/81/96/386768196.db2.gz XNDPCNJYRUXMMF-LBPRGKRZSA-N 2 1 241.379 1.057 20 0 BDADMP CCNCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414839344 386741057 /nfs/dbraw/zinc/74/10/57/386741057.db2.gz FXLKKLYSRXMCDK-CYBMUJFWSA-N 2 1 248.370 1.752 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414839344 386741063 /nfs/dbraw/zinc/74/10/63/386741063.db2.gz FXLKKLYSRXMCDK-CYBMUJFWSA-N 2 1 248.370 1.752 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000020439800 386793404 /nfs/dbraw/zinc/79/34/04/386793404.db2.gz KVSXYXMZLSWKBW-LBPRGKRZSA-N 2 1 219.332 1.642 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000396601778 386783602 /nfs/dbraw/zinc/78/36/02/386783602.db2.gz NIASZBCYGJDHRV-SRVKXCTJSA-N 2 1 212.337 1.143 20 0 BDADMP CCc1ncc(C[NH2+]C2(C)CC[NH2+]CC2)s1 ZINC000414933220 386787738 /nfs/dbraw/zinc/78/77/38/386787738.db2.gz DIPRUMHULBBAHS-UHFFFAOYSA-N 2 1 239.388 1.937 20 0 BDADMP CCc1cc(N2CCC[N@@H+](C)CC2)cc[nH+]1 ZINC000334773582 386824596 /nfs/dbraw/zinc/82/45/96/386824596.db2.gz SEXIRSVHCQVDND-UHFFFAOYSA-N 2 1 219.332 1.786 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414936936 386843117 /nfs/dbraw/zinc/84/31/17/386843117.db2.gz CNXUTTSPUVEWBB-QPUJVOFHSA-N 2 1 224.735 1.744 20 0 BDADMP C[C@@H]1[C@H](C)OCCN1CCc1cncn1C ZINC000334785819 386847509 /nfs/dbraw/zinc/84/75/09/386847509.db2.gz CDXGNIQZBBDWHC-MNOVXSKESA-N 2 1 223.320 1.072 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000358100031 386893106 /nfs/dbraw/zinc/89/31/06/386893106.db2.gz RPGDAVFMLDLKPT-IJLUTSLNSA-N 2 1 239.363 1.841 20 0 BDADMP CC(C)n1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414942952 386893388 /nfs/dbraw/zinc/89/33/88/386893388.db2.gz DVJCQYDSDFLVRT-AAEUAGOBSA-N 2 1 236.363 1.694 20 0 BDADMP COCCOc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414939533 386860632 /nfs/dbraw/zinc/86/06/32/386860632.db2.gz GLGQFNCUEVDNAU-NSHDSACASA-N 2 1 238.331 1.149 20 0 BDADMP CC(C)n1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414942954 386894171 /nfs/dbraw/zinc/89/41/71/386894171.db2.gz DVJCQYDSDFLVRT-DGCLKSJQSA-N 2 1 236.363 1.694 20 0 BDADMP Fc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000334832992 386870425 /nfs/dbraw/zinc/87/04/25/386870425.db2.gz KHTWRAXWJBQJFA-GDNZZTSVSA-N 2 1 206.264 1.133 20 0 BDADMP COC1CCC([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000334832656 386871413 /nfs/dbraw/zinc/87/14/13/386871413.db2.gz GXSLNISZNGJCHY-WTIISPKJSA-N 2 1 226.364 1.674 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccnc1 ZINC000051919447 386872424 /nfs/dbraw/zinc/87/24/24/386872424.db2.gz DSXLOAXSQLBCCE-CYBMUJFWSA-N 2 1 233.359 1.903 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000051919145 386872735 /nfs/dbraw/zinc/87/27/35/386872735.db2.gz RCCOLFKNZUXYTP-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000334838269 386880821 /nfs/dbraw/zinc/88/08/21/386880821.db2.gz SEJJWEMECLNKQZ-ZDUSSCGKSA-N 2 1 239.407 1.448 20 0 BDADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000334837940 386880843 /nfs/dbraw/zinc/88/08/43/386880843.db2.gz PQAPIXSVDKWUDG-NWDGAFQWSA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C12CCC2 ZINC000308389207 386895073 /nfs/dbraw/zinc/89/50/73/386895073.db2.gz ICLYVSWTGUJJRB-STQMWFEESA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358223142 386914780 /nfs/dbraw/zinc/91/47/80/386914780.db2.gz ACWBWKGFKLMSHV-UONOGXRCSA-N 2 1 242.407 1.857 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358223142 386914785 /nfs/dbraw/zinc/91/47/85/386914785.db2.gz ACWBWKGFKLMSHV-UONOGXRCSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358224642 386915711 /nfs/dbraw/zinc/91/57/11/386915711.db2.gz CBBAGDFBBJXDTR-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358224642 386915716 /nfs/dbraw/zinc/91/57/16/386915716.db2.gz CBBAGDFBBJXDTR-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000334867037 386923391 /nfs/dbraw/zinc/92/33/91/386923391.db2.gz ZESWZQAYAPSGEL-WXRRBKDZSA-N 3 1 239.407 1.624 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000332345062 386970197 /nfs/dbraw/zinc/97/01/97/386970197.db2.gz OGLQDHUGMKQGRF-MJBXVCDLSA-N 2 1 239.407 1.626 20 0 BDADMP COc1cc(C)nc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000162195688 386974752 /nfs/dbraw/zinc/97/47/52/386974752.db2.gz URUAPNXGSJXXOU-VXGBXAGGSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)nc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000162195688 386974765 /nfs/dbraw/zinc/97/47/65/386974765.db2.gz URUAPNXGSJXXOU-VXGBXAGGSA-N 2 1 249.358 1.568 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000162195688 386974770 /nfs/dbraw/zinc/97/47/70/386974770.db2.gz URUAPNXGSJXXOU-VXGBXAGGSA-N 2 1 249.358 1.568 20 0 BDADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1c[nH+]ccc1N ZINC000332435935 386978626 /nfs/dbraw/zinc/97/86/26/386978626.db2.gz IOJSGGRQHFPAQI-KPXOXKRLSA-N 2 1 235.331 1.304 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000341900593 386998237 /nfs/dbraw/zinc/99/82/37/386998237.db2.gz QMQIQNMLSMFHIJ-IJLUTSLNSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@H](CC(N)=O)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000341900593 386998242 /nfs/dbraw/zinc/99/82/42/386998242.db2.gz QMQIQNMLSMFHIJ-IJLUTSLNSA-N 2 1 241.379 1.103 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359201305 387067564 /nfs/dbraw/zinc/06/75/64/387067564.db2.gz ZTDKIGHBVQLKQS-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP CCn1cncc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000334964740 387045441 /nfs/dbraw/zinc/04/54/41/387045441.db2.gz CPPZVFZHQRNOCD-GXTWGEPZSA-N 2 1 249.358 1.904 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccs1 ZINC000126711661 387051643 /nfs/dbraw/zinc/05/16/43/387051643.db2.gz NDKVMJFEXHNQOS-NXEZZACHSA-N 2 1 210.346 1.917 20 0 BDADMP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)c(C)n1 ZINC000334975020 387062049 /nfs/dbraw/zinc/06/20/49/387062049.db2.gz XHBRFNJMPNCYQV-UHFFFAOYSA-N 2 1 219.332 1.620 20 0 BDADMP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)c(C)n1 ZINC000334975020 387062053 /nfs/dbraw/zinc/06/20/53/387062053.db2.gz XHBRFNJMPNCYQV-UHFFFAOYSA-N 2 1 219.332 1.620 20 0 BDADMP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400558843 387071075 /nfs/dbraw/zinc/07/10/75/387071075.db2.gz ZWQHPWPHWUEQSR-CFVMTHIKSA-N 2 1 248.370 1.320 20 0 BDADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000031994514 387071250 /nfs/dbraw/zinc/07/12/50/387071250.db2.gz LSADYYWDYCWNGX-ZDUSSCGKSA-N 2 1 217.316 1.267 20 0 BDADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000031994514 387071254 /nfs/dbraw/zinc/07/12/54/387071254.db2.gz LSADYYWDYCWNGX-ZDUSSCGKSA-N 2 1 217.316 1.267 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000228329637 387082093 /nfs/dbraw/zinc/08/20/93/387082093.db2.gz ZGAXGIOKAZGFNJ-NEPJUHHUSA-N 2 1 243.395 1.350 20 0 BDADMP CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000397243689 387109801 /nfs/dbraw/zinc/10/98/01/387109801.db2.gz SNWCORYAFJBABM-MJBXVCDLSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000397243689 387109805 /nfs/dbraw/zinc/10/98/05/387109805.db2.gz SNWCORYAFJBABM-MJBXVCDLSA-N 2 1 240.391 1.466 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423299959 387132008 /nfs/dbraw/zinc/13/20/08/387132008.db2.gz QOXGNBHIVFQXMO-BFHYXJOUSA-N 2 1 239.407 1.720 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000423298877 387129770 /nfs/dbraw/zinc/12/97/70/387129770.db2.gz PBLZOVWFHYUUPX-MGPQQGTHSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccncc1F ZINC000423307715 387144056 /nfs/dbraw/zinc/14/40/56/387144056.db2.gz NPXGYQSSTJGGDI-DTWKUNHWSA-N 2 1 211.284 1.466 20 0 BDADMP CCC[NH2+]CCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423309926 387145142 /nfs/dbraw/zinc/14/51/42/387145142.db2.gz MPHOIDWJNFUNLY-AAEUAGOBSA-N 2 1 225.380 1.058 20 0 BDADMP CC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000400395980 387151853 /nfs/dbraw/zinc/15/18/53/387151853.db2.gz OODYDHCQGHOXKG-GMTAPVOTSA-N 2 1 200.326 1.142 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH3+])[C@H]2CCC[C@@H]21 ZINC000423316624 387157151 /nfs/dbraw/zinc/15/71/51/387157151.db2.gz BXSRDDYIGZNZHL-AGIUHOORSA-N 3 1 225.380 1.188 20 0 BDADMP CN1CC[C@H]([NH2+]CCCC[NH3+])[C@H]2CCC[C@@H]21 ZINC000423316624 387157155 /nfs/dbraw/zinc/15/71/55/387157155.db2.gz BXSRDDYIGZNZHL-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](C)OC ZINC000353209405 387159473 /nfs/dbraw/zinc/15/94/73/387159473.db2.gz YIYMLGAHLMRWSJ-GFCCVEGCSA-N 2 1 216.369 1.685 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000120117015 387186481 /nfs/dbraw/zinc/18/64/81/387186481.db2.gz CZVKNPDUXLJVBD-GVXVVHGQSA-N 2 1 224.348 1.238 20 0 BDADMP CN(CC[C@@H]1CCC[N@H+]1C)CC[NH+](C)C1CC1 ZINC000186792275 387135133 /nfs/dbraw/zinc/13/51/33/387135133.db2.gz VZJMDYHMUYXWHB-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@@H]1CCC[NH+]1C)CC[N@H+](C)C1CC1 ZINC000186792275 387135138 /nfs/dbraw/zinc/13/51/38/387135138.db2.gz VZJMDYHMUYXWHB-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CN(CC[C@@H]1CCC[NH+]1C)CC[N@@H+](C)C1CC1 ZINC000186792275 387135145 /nfs/dbraw/zinc/13/51/45/387135145.db2.gz VZJMDYHMUYXWHB-ZDUSSCGKSA-N 2 1 239.407 1.497 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423305034 387139339 /nfs/dbraw/zinc/13/93/39/387139339.db2.gz ZZNQAERXMFOKPV-RWMBFGLXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423354117 387206197 /nfs/dbraw/zinc/20/61/97/387206197.db2.gz CORVMZIDVGAEQO-VXGBXAGGSA-N 2 1 219.332 1.874 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000300412903 387206761 /nfs/dbraw/zinc/20/67/61/387206761.db2.gz WULKRYKKTVITQV-MROQNXINSA-N 2 1 240.391 1.872 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000300412903 387206764 /nfs/dbraw/zinc/20/67/64/387206764.db2.gz WULKRYKKTVITQV-MROQNXINSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000423356706 387208120 /nfs/dbraw/zinc/20/81/20/387208120.db2.gz HFPOMIPCJQPLBP-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP CCOC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423359772 387210975 /nfs/dbraw/zinc/21/09/75/387210975.db2.gz PNQPUFPZAPUQDI-JHJVBQTASA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423360420 387213571 /nfs/dbraw/zinc/21/35/71/387213571.db2.gz LJTLKKLACYHJSP-QJPTWQEYSA-N 3 1 213.369 1.092 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(CC)CC ZINC000423360674 387213835 /nfs/dbraw/zinc/21/38/35/387213835.db2.gz GDWOLBIZHJALJN-QJPTWQEYSA-N 2 1 228.380 1.907 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423363319 387214753 /nfs/dbraw/zinc/21/47/53/387214753.db2.gz BUMXJIPAKBLGHC-MROQNXINSA-N 3 1 225.380 1.092 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423366943 387217748 /nfs/dbraw/zinc/21/77/48/387217748.db2.gz LXTVPSSKSBTJJR-RVMXOQNASA-N 2 1 225.380 1.363 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366716 387219110 /nfs/dbraw/zinc/21/91/10/387219110.db2.gz QIBWBPVFYUMHEF-BZPMIXESSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366716 387219115 /nfs/dbraw/zinc/21/91/15/387219115.db2.gz QIBWBPVFYUMHEF-BZPMIXESSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365929 387219308 /nfs/dbraw/zinc/21/93/08/387219308.db2.gz CFFKMOJDJLFMHK-HKUMRIAESA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365929 387219310 /nfs/dbraw/zinc/21/93/10/387219310.db2.gz CFFKMOJDJLFMHK-HKUMRIAESA-N 2 1 237.391 1.199 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423369307 387220639 /nfs/dbraw/zinc/22/06/39/387220639.db2.gz OFQHDJRFIFIODT-GXFFZTMASA-N 2 1 219.332 1.870 20 0 BDADMP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423427590 387252969 /nfs/dbraw/zinc/25/29/69/387252969.db2.gz IPSYPIQKARBVDT-SFDCQRBFSA-N 2 1 244.338 1.577 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423372522 387226333 /nfs/dbraw/zinc/22/63/33/387226333.db2.gz VXHSQNACFROTJP-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372522 387226337 /nfs/dbraw/zinc/22/63/37/387226337.db2.gz VXHSQNACFROTJP-XQQFMLRXSA-N 3 1 225.380 1.058 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423372522 387226341 /nfs/dbraw/zinc/22/63/41/387226341.db2.gz VXHSQNACFROTJP-XQQFMLRXSA-N 3 1 225.380 1.058 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000353568536 387231387 /nfs/dbraw/zinc/23/13/87/387231387.db2.gz LUZQWAGGZOTUNY-LBPRGKRZSA-N 2 1 249.358 1.479 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000353568536 387231392 /nfs/dbraw/zinc/23/13/92/387231392.db2.gz LUZQWAGGZOTUNY-LBPRGKRZSA-N 2 1 249.358 1.479 20 0 BDADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352488282 387248033 /nfs/dbraw/zinc/24/80/33/387248033.db2.gz OHNNXDYOUXIHNQ-CQSZACIVSA-N 2 1 233.359 1.972 20 0 BDADMP C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423420666 387250508 /nfs/dbraw/zinc/25/05/08/387250508.db2.gz JMRBZCUKFVNRRT-XUXIUFHCSA-N 2 1 239.407 1.482 20 0 BDADMP C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423461968 387310679 /nfs/dbraw/zinc/31/06/79/387310679.db2.gz DAXXMXQLFQRZJO-WUHRBBMRSA-N 2 1 225.380 1.234 20 0 BDADMP C[NH+]1CCC(CCO)([NH2+]CC(C)(C)C)CC1 ZINC000572179336 387257760 /nfs/dbraw/zinc/25/77/60/387257760.db2.gz RBJUEKVAVAZNJI-UHFFFAOYSA-N 2 1 228.380 1.469 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353687442 387259063 /nfs/dbraw/zinc/25/90/63/387259063.db2.gz ZYHZSWBNAJXMPT-YHQUGGNUSA-N 2 1 240.391 1.608 20 0 BDADMP Cc1cnn(C)c1C[NH2+][C@H](C)CC[NH+](C)C ZINC000285385303 387263209 /nfs/dbraw/zinc/26/32/09/387263209.db2.gz HAMXXTPFXUNGEF-LLVKDONJSA-N 2 1 224.352 1.158 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cn1 ZINC000423387155 387270566 /nfs/dbraw/zinc/27/05/66/387270566.db2.gz HTDYALJWXSGFGK-NHCYSSNCSA-N 2 1 237.322 1.869 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H](COC)C(C)C ZINC000423385946 387270993 /nfs/dbraw/zinc/27/09/93/387270993.db2.gz RMNSTYJQHQYJDE-MNOVXSKESA-N 2 1 202.342 1.245 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000161851667 387273911 /nfs/dbraw/zinc/27/39/11/387273911.db2.gz DMAMVTJHHTVAJB-ZDUSSCGKSA-N 2 1 235.375 1.847 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000423391526 387277221 /nfs/dbraw/zinc/27/72/21/387277221.db2.gz WYKHBYHKWOGCIJ-UTUOFQBUSA-N 2 1 228.380 1.778 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)CN1CCCC2(CC2)C1 ZINC000514738449 387283228 /nfs/dbraw/zinc/28/32/28/387283228.db2.gz YCZWNNSYABOGHP-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CCN(C)C[C@@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000514738449 387283234 /nfs/dbraw/zinc/28/32/34/387283234.db2.gz YCZWNNSYABOGHP-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CCCC2(CC2)C1 ZINC000514738449 387283239 /nfs/dbraw/zinc/28/32/39/387283239.db2.gz YCZWNNSYABOGHP-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000514738449 387283242 /nfs/dbraw/zinc/28/32/42/387283242.db2.gz YCZWNNSYABOGHP-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000514738449 387283249 /nfs/dbraw/zinc/28/32/49/387283249.db2.gz YCZWNNSYABOGHP-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000514738449 387283252 /nfs/dbraw/zinc/28/32/52/387283252.db2.gz YCZWNNSYABOGHP-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC2(CC2)C1 ZINC000514738449 387283259 /nfs/dbraw/zinc/28/32/59/387283259.db2.gz YCZWNNSYABOGHP-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459746136 387284435 /nfs/dbraw/zinc/28/44/35/387284435.db2.gz YZRJKOQLMIZNQE-LBPRGKRZSA-N 2 1 236.363 1.242 20 0 BDADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1N(C)C ZINC000423440051 387290215 /nfs/dbraw/zinc/29/02/15/387290215.db2.gz SWGXAVVFIXTNRX-PBOSXPJTSA-N 2 1 245.370 1.621 20 0 BDADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423442585 387292135 /nfs/dbraw/zinc/29/21/35/387292135.db2.gz VBSWPXAXLBMQEO-DMWPJOQESA-N 2 1 249.383 1.636 20 0 BDADMP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423442161 387292802 /nfs/dbraw/zinc/29/28/02/387292802.db2.gz VBSWPXAXLBMQEO-BSJXLVFVSA-N 2 1 249.383 1.636 20 0 BDADMP COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423444653 387295190 /nfs/dbraw/zinc/29/51/90/387295190.db2.gz WYNUIHSDEBCPNM-OLRMPSLUSA-N 2 1 232.327 1.564 20 0 BDADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](C[NH3+])C3)n2c1 ZINC000336473548 387300670 /nfs/dbraw/zinc/30/06/70/387300670.db2.gz FUDALGHAQCPTGC-LBPRGKRZSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C[NH3+])C3)n2c1 ZINC000336473548 387300672 /nfs/dbraw/zinc/30/06/72/387300672.db2.gz FUDALGHAQCPTGC-LBPRGKRZSA-N 2 1 244.342 1.423 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000423459914 387309313 /nfs/dbraw/zinc/30/93/13/387309313.db2.gz AHSYPFYPJULYFM-RFQIPJPRSA-N 2 1 239.407 1.624 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527286 387355191 /nfs/dbraw/zinc/35/51/91/387355191.db2.gz MFPIXZDIFGAOHB-AEGPPILISA-N 3 1 247.386 1.459 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000423527807 387356695 /nfs/dbraw/zinc/35/66/95/387356695.db2.gz VZOLGUZLKQNBAW-JHJVBQTASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423530764 387357460 /nfs/dbraw/zinc/35/74/60/387357460.db2.gz ZDVYXFWSPULLQY-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP COCC1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000643502229 387364652 /nfs/dbraw/zinc/36/46/52/387364652.db2.gz AMCSRHGVJYDNKE-JXQTWKCFSA-N 2 1 240.391 1.923 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000643464502 387365471 /nfs/dbraw/zinc/36/54/71/387365471.db2.gz GHRRJBPKPKIBMG-BXUZGUMPSA-N 2 1 233.359 1.520 20 0 BDADMP Cc1nc(C)c(C)c(NC[C@H]2CC[N@H+](C)C2)n1 ZINC000354385561 387369529 /nfs/dbraw/zinc/36/95/29/387369529.db2.gz MOSCATGQJIIHBO-GFCCVEGCSA-N 2 1 234.347 1.187 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423549745 387372953 /nfs/dbraw/zinc/37/29/53/387372953.db2.gz IEBLLKAUOPJJLP-YPMHNXCESA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1C ZINC000423555074 387375722 /nfs/dbraw/zinc/37/57/22/387375722.db2.gz LQDFVBFFCJUWKH-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423566316 387377745 /nfs/dbraw/zinc/37/77/45/387377745.db2.gz UBUYHDUNTBABQD-YRGRVCCFSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1nc(NCC[N@@H+](C)C2CC2)c(C)c(C)[nH+]1 ZINC000354477029 387380797 /nfs/dbraw/zinc/38/07/97/387380797.db2.gz ZXFVGRUFODQHBE-UHFFFAOYSA-N 2 1 234.347 1.330 20 0 BDADMP Cc1nc(NCC[N@H+](C)C2CC2)c(C)c(C)[nH+]1 ZINC000354477029 387380799 /nfs/dbraw/zinc/38/07/99/387380799.db2.gz ZXFVGRUFODQHBE-UHFFFAOYSA-N 2 1 234.347 1.330 20 0 BDADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CC(C)(C)C1 ZINC000515069390 387331330 /nfs/dbraw/zinc/33/13/30/387331330.db2.gz INYWWGKEMPALEN-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CC(C)(C)C1 ZINC000515069390 387331332 /nfs/dbraw/zinc/33/13/32/387331332.db2.gz INYWWGKEMPALEN-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)C1CC(C)(C)C1 ZINC000515069390 387331333 /nfs/dbraw/zinc/33/13/33/387331333.db2.gz INYWWGKEMPALEN-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)C1CC(C)(C)C1 ZINC000515069390 387331335 /nfs/dbraw/zinc/33/13/35/387331335.db2.gz INYWWGKEMPALEN-CYBMUJFWSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CC(C)(C)C1 ZINC000515069395 387331462 /nfs/dbraw/zinc/33/14/62/387331462.db2.gz INYWWGKEMPALEN-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CC(C)(C)C1 ZINC000515069395 387331467 /nfs/dbraw/zinc/33/14/67/387331467.db2.gz INYWWGKEMPALEN-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)C1CC(C)(C)C1 ZINC000515069395 387331471 /nfs/dbraw/zinc/33/14/71/387331471.db2.gz INYWWGKEMPALEN-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)C1CC(C)(C)C1 ZINC000515069395 387331475 /nfs/dbraw/zinc/33/14/75/387331475.db2.gz INYWWGKEMPALEN-ZDUSSCGKSA-N 2 1 242.407 1.810 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000372989089 387338064 /nfs/dbraw/zinc/33/80/64/387338064.db2.gz GCMXSGKOZKOSOJ-ZDUSSCGKSA-N 2 1 236.363 1.299 20 0 BDADMP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423518392 387350580 /nfs/dbraw/zinc/35/05/80/387350580.db2.gz OMXLGCUULINVNN-MELADBBJSA-N 2 1 241.423 1.694 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1cccs1 ZINC000643505288 387449539 /nfs/dbraw/zinc/44/95/39/387449539.db2.gz BYHXFTWAYPZZPG-JTQLQIEISA-N 2 1 212.362 1.878 20 0 BDADMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@H](C)OC ZINC000361566935 387496180 /nfs/dbraw/zinc/49/61/80/387496180.db2.gz PAZLEPAWKGFODG-LBPRGKRZSA-N 2 1 239.363 1.938 20 0 BDADMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@H](C)OC ZINC000361566935 387496184 /nfs/dbraw/zinc/49/61/84/387496184.db2.gz PAZLEPAWKGFODG-LBPRGKRZSA-N 2 1 239.363 1.938 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CC[N@@H+]1C ZINC000396838379 387498746 /nfs/dbraw/zinc/49/87/46/387498746.db2.gz BBZRYYQENVTYJV-WOPDTQHZSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CC[N@H+]1C ZINC000396838379 387498751 /nfs/dbraw/zinc/49/87/51/387498751.db2.gz BBZRYYQENVTYJV-WOPDTQHZSA-N 2 1 226.364 1.626 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396846549 387501057 /nfs/dbraw/zinc/50/10/57/387501057.db2.gz HECIXRUTPKRIIL-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396846551 387501603 /nfs/dbraw/zinc/50/16/03/387501603.db2.gz HECIXRUTPKRIIL-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000361766045 387531676 /nfs/dbraw/zinc/53/16/76/387531676.db2.gz RCNPXNYZRYSADN-NWDGAFQWSA-N 2 1 239.363 1.985 20 0 BDADMP FCCCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310093708 387533588 /nfs/dbraw/zinc/53/35/88/387533588.db2.gz GQRIKGXNPOVJJJ-CYBMUJFWSA-N 2 1 243.370 1.106 20 0 BDADMP C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192795674 387535092 /nfs/dbraw/zinc/53/50/92/387535092.db2.gz BIOQTTJBFYCJEW-FRRDWIJNSA-N 2 1 240.391 1.610 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361803404 387537975 /nfs/dbraw/zinc/53/79/75/387537975.db2.gz FVQAGDXNLBQTFU-FQUUOJAGSA-N 2 1 242.407 1.856 20 0 BDADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361803404 387537979 /nfs/dbraw/zinc/53/79/79/387537979.db2.gz FVQAGDXNLBQTFU-FQUUOJAGSA-N 2 1 242.407 1.856 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CCN(CC2(F)CC2)C1 ZINC000527219254 387540036 /nfs/dbraw/zinc/54/00/36/387540036.db2.gz AAAVESHKBOSXQJ-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC[NH3+])c1ccccc1 ZINC000424011912 387466488 /nfs/dbraw/zinc/46/64/88/387466488.db2.gz RQAIJTRUOLKFRO-ZDUSSCGKSA-N 2 1 249.358 1.097 20 0 BDADMP C[N@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@@H]2CCC[C@H]21 ZINC000643507931 387481720 /nfs/dbraw/zinc/48/17/20/387481720.db2.gz WMGWQIIVMFTSTH-MELADBBJSA-N 2 1 237.391 1.201 20 0 BDADMP C(C[NH2+]C1CC1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000643508253 387481771 /nfs/dbraw/zinc/48/17/71/387481771.db2.gz XSVSMOQTDYFLMJ-CYBMUJFWSA-N 2 1 208.349 1.907 20 0 BDADMP c1nc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c[nH]1 ZINC000336629772 387482133 /nfs/dbraw/zinc/48/21/33/387482133.db2.gz ZCNUWHUGRLOXMT-CMPLNLGQSA-N 2 1 221.304 1.411 20 0 BDADMP c1ncc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)[nH]1 ZINC000336629772 387482137 /nfs/dbraw/zinc/48/21/37/387482137.db2.gz ZCNUWHUGRLOXMT-CMPLNLGQSA-N 2 1 221.304 1.411 20 0 BDADMP COCC1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643507974 387482382 /nfs/dbraw/zinc/48/23/82/387482382.db2.gz XSEIYEROYMGAAH-UHFFFAOYSA-N 2 1 226.364 1.533 20 0 BDADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375851002 387586946 /nfs/dbraw/zinc/58/69/46/387586946.db2.gz KJUVZUYVYPQCMD-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375851002 387586951 /nfs/dbraw/zinc/58/69/51/387586951.db2.gz KJUVZUYVYPQCMD-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375851002 387586955 /nfs/dbraw/zinc/58/69/55/387586955.db2.gz KJUVZUYVYPQCMD-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000528761753 387594699 /nfs/dbraw/zinc/59/46/99/387594699.db2.gz ZNXFKUWZNGCFGQ-LSCVPOLPSA-N 2 1 237.347 1.364 20 0 BDADMP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000123847094 387596278 /nfs/dbraw/zinc/59/62/78/387596278.db2.gz HEGRMUVDNYNBSV-STQMWFEESA-N 2 1 236.363 1.121 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000122840579 387607886 /nfs/dbraw/zinc/60/78/86/387607886.db2.gz WVMXBZHBRBYCNX-YNEHKIRRSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)OCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422632735 387610374 /nfs/dbraw/zinc/61/03/74/387610374.db2.gz HITJBEKQIPJXBV-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000643516109 387622076 /nfs/dbraw/zinc/62/20/76/387622076.db2.gz FLWHTIRUISUVGR-ZDUSSCGKSA-N 2 1 238.281 1.761 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422708262 387622758 /nfs/dbraw/zinc/62/27/58/387622758.db2.gz ISTVTSITBPASTD-NWDGAFQWSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000361881824 387548453 /nfs/dbraw/zinc/54/84/53/387548453.db2.gz WXZISAPZROZEBG-STQMWFEESA-N 2 1 248.374 1.423 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)COC)[C@H](C)C1 ZINC000426339921 387556123 /nfs/dbraw/zinc/55/61/23/387556123.db2.gz YDQNNIBFKMXJFO-OLZOCXBDSA-N 2 1 242.407 1.979 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305111206 387556307 /nfs/dbraw/zinc/55/63/07/387556307.db2.gz CZMNGSKMQOQLFI-MGPQQGTHSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)C ZINC000305161016 387567751 /nfs/dbraw/zinc/56/77/51/387567751.db2.gz WZILPEZHUHZUOS-LBPRGKRZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000422716672 387627830 /nfs/dbraw/zinc/62/78/30/387627830.db2.gz UYNQRBPDFCYSIN-QWHCGFSZSA-N 3 1 239.407 1.306 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375751440 387578052 /nfs/dbraw/zinc/57/80/52/387578052.db2.gz RXUMFZAJJQBSAC-XYYAHUGASA-N 2 1 247.342 1.130 20 0 BDADMP CN(CC[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430614288 387632918 /nfs/dbraw/zinc/63/29/18/387632918.db2.gz XWFVYIRGBNKRSW-CQSZACIVSA-N 2 1 247.386 1.794 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000422736321 387643026 /nfs/dbraw/zinc/64/30/26/387643026.db2.gz VXGBTNLSKIMGIB-IJLUTSLNSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@@H]([NH2+]CCC1CCOCC1)c1c[nH+]ccc1N ZINC000422737030 387644831 /nfs/dbraw/zinc/64/48/31/387644831.db2.gz WXYVLSNUMOEVOY-LLVKDONJSA-N 2 1 249.358 1.961 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422737099 387644901 /nfs/dbraw/zinc/64/49/01/387644901.db2.gz HLRDPLWHMAPJMI-UONOGXRCSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422746142 387650454 /nfs/dbraw/zinc/65/04/54/387650454.db2.gz VZYODZUUPXZBKQ-BZPMIXESSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422746142 387650456 /nfs/dbraw/zinc/65/04/56/387650456.db2.gz VZYODZUUPXZBKQ-BZPMIXESSA-N 2 1 237.391 1.201 20 0 BDADMP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000430795688 387650907 /nfs/dbraw/zinc/65/09/07/387650907.db2.gz HKONPHPLPALHIG-TUAOUCFPSA-N 2 1 241.379 1.055 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000422750267 387656327 /nfs/dbraw/zinc/65/63/27/387656327.db2.gz AJTWHVSZHYVMHJ-QJPTWQEYSA-N 2 1 248.326 1.296 20 0 BDADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422757862 387661936 /nfs/dbraw/zinc/66/19/36/387661936.db2.gz NDSKSBRZGBLAMX-RBSFLKMASA-N 2 1 247.386 1.759 20 0 BDADMP CSCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422766414 387665298 /nfs/dbraw/zinc/66/52/98/387665298.db2.gz XETLYGJCXGMRIA-QWRGUYRKSA-N 2 1 216.394 1.717 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000422784074 387684387 /nfs/dbraw/zinc/68/43/87/387684387.db2.gz PFYHGSQHOQRGNX-MQYQWHSLSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C1C[NH2+]C1 ZINC000422744316 387688527 /nfs/dbraw/zinc/68/85/27/387688527.db2.gz JXDIVTKPHONKED-VIFPVBQESA-N 2 1 234.299 1.113 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC000422743799 387689089 /nfs/dbraw/zinc/68/90/89/387689089.db2.gz RWTOWDRIBUDBGW-MJBXVCDLSA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422743799 387689098 /nfs/dbraw/zinc/68/90/98/387689098.db2.gz RWTOWDRIBUDBGW-MJBXVCDLSA-N 3 1 241.423 1.822 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422743799 387689102 /nfs/dbraw/zinc/68/91/02/387689102.db2.gz RWTOWDRIBUDBGW-MJBXVCDLSA-N 3 1 241.423 1.822 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422742842 387690743 /nfs/dbraw/zinc/69/07/43/387690743.db2.gz QTNLCCUISWUGEA-QWHCGFSZSA-N 2 1 220.316 1.148 20 0 BDADMP C[C@@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422743781 387691078 /nfs/dbraw/zinc/69/10/78/387691078.db2.gz RVJYPWFCLFLZBD-MBNYWOFBSA-N 2 1 237.391 1.343 20 0 BDADMP CCOC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000044690635 387692404 /nfs/dbraw/zinc/69/24/04/387692404.db2.gz INOFYHHNEKSBIL-WODVXLOZSA-N 2 1 226.364 1.626 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422868276 387749431 /nfs/dbraw/zinc/74/94/31/387749431.db2.gz UTCMOWBVFJMMON-FRRDWIJNSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCC[C@@H](C)C1 ZINC000422868276 387749437 /nfs/dbraw/zinc/74/94/37/387749437.db2.gz UTCMOWBVFJMMON-FRRDWIJNSA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422875069 387753582 /nfs/dbraw/zinc/75/35/82/387753582.db2.gz BNOULMWJULAZBG-LLVKDONJSA-N 2 1 236.363 1.485 20 0 BDADMP COCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422806860 387706563 /nfs/dbraw/zinc/70/65/63/387706563.db2.gz NZNGIQFJAODQNQ-KBPBESRZSA-N 2 1 234.343 1.802 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127208737 387710136 /nfs/dbraw/zinc/71/01/36/387710136.db2.gz CGAOHWMIPMUKSF-GRYCIOLGSA-N 2 1 242.363 1.387 20 0 BDADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127208737 387710142 /nfs/dbraw/zinc/71/01/42/387710142.db2.gz CGAOHWMIPMUKSF-GRYCIOLGSA-N 2 1 242.363 1.387 20 0 BDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422814783 387715485 /nfs/dbraw/zinc/71/54/85/387715485.db2.gz WBMPQYICCJVQIP-UONOGXRCSA-N 2 1 239.407 1.722 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC(C1)CO2 ZINC000527790426 387715550 /nfs/dbraw/zinc/71/55/50/387715550.db2.gz OGEZLYQZONGGLN-CEUNDQEZSA-N 2 1 236.359 1.382 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000422830238 387723150 /nfs/dbraw/zinc/72/31/50/387723150.db2.gz VNVBHAQXZCNZSY-ZOBORPQBSA-N 2 1 240.391 1.515 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422828116 387723762 /nfs/dbraw/zinc/72/37/62/387723762.db2.gz SVVDCGCXIUNUDV-UONOGXRCSA-N 2 1 241.423 1.968 20 0 BDADMP COCCOCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422845983 387735113 /nfs/dbraw/zinc/73/51/13/387735113.db2.gz DKLDAGDEGFRGEE-STQMWFEESA-N 2 1 244.379 1.017 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000128029621 387735657 /nfs/dbraw/zinc/73/56/57/387735657.db2.gz HHZSKLWNHDFVEZ-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128029621 387735666 /nfs/dbraw/zinc/73/56/66/387735666.db2.gz HHZSKLWNHDFVEZ-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128029621 387735677 /nfs/dbraw/zinc/73/56/77/387735677.db2.gz HHZSKLWNHDFVEZ-UONOGXRCSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000422851725 387738419 /nfs/dbraw/zinc/73/84/19/387738419.db2.gz FVBVFBWYTGCGIB-UPJWGTAASA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000422851725 387738424 /nfs/dbraw/zinc/73/84/24/387738424.db2.gz FVBVFBWYTGCGIB-UPJWGTAASA-N 2 1 237.391 1.343 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000422853096 387738583 /nfs/dbraw/zinc/73/85/83/387738583.db2.gz RWFQBRYXJILWAS-YVECIDJPSA-N 2 1 240.391 1.920 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1(C)C ZINC000422853094 387739083 /nfs/dbraw/zinc/73/90/83/387739083.db2.gz RWFQBRYXJILWAS-UMSGYPCISA-N 2 1 240.391 1.920 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000356880420 387739258 /nfs/dbraw/zinc/73/92/58/387739258.db2.gz UJVRPRFQKKKRES-RDBSUJKOSA-N 2 1 240.391 1.467 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccnc1 ZINC000643527921 387764242 /nfs/dbraw/zinc/76/42/42/387764242.db2.gz VMLRXPZCQJZXGU-ZYHUDNBSSA-N 2 1 207.321 1.860 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422910282 387768849 /nfs/dbraw/zinc/76/88/49/387768849.db2.gz QDIWCILGBBICFQ-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422910282 387768854 /nfs/dbraw/zinc/76/88/54/387768854.db2.gz QDIWCILGBBICFQ-YNEHKIRRSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H]([NH3+])CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000643528922 387773427 /nfs/dbraw/zinc/77/34/27/387773427.db2.gz QVJVRDCYEFOLPG-KCQAQPDRSA-N 2 1 247.386 1.444 20 0 BDADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422916166 387774050 /nfs/dbraw/zinc/77/40/50/387774050.db2.gz CNRMXAMKIBDUBV-WOPDTQHZSA-N 2 1 228.380 1.371 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422922627 387777084 /nfs/dbraw/zinc/77/70/84/387777084.db2.gz QILYWOTVCHDKLO-WOPDTQHZSA-N 2 1 214.353 1.125 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000422932344 387781213 /nfs/dbraw/zinc/78/12/13/387781213.db2.gz FNPVUQXXZMFBQJ-CMPLNLGQSA-N 2 1 208.349 1.764 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cn1cccn1)[C@H]1CCC[NH2+]1 ZINC000422934154 387783215 /nfs/dbraw/zinc/78/32/15/387783215.db2.gz FMXNORZHYJKXMZ-QJPTWQEYSA-N 2 1 222.336 1.002 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000422947869 387784823 /nfs/dbraw/zinc/78/48/23/387784823.db2.gz QPPXJGAOHFOMIN-STQMWFEESA-N 2 1 238.306 1.674 20 0 BDADMP OC1CC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000432408933 387787041 /nfs/dbraw/zinc/78/70/41/387787041.db2.gz DJDBOEGSUPEKGV-DKNRTOFZSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422903632 387787028 /nfs/dbraw/zinc/78/70/28/387787028.db2.gz OQHBDOKJWHFESR-QNWHQSFQSA-N 2 1 226.364 1.532 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422977313 387789098 /nfs/dbraw/zinc/78/90/98/387789098.db2.gz WQFYUERHUQCIQZ-STQMWFEESA-N 3 1 227.396 1.435 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422983234 387793622 /nfs/dbraw/zinc/79/36/22/387793622.db2.gz ZBPMNZRBDOMQHV-UPJWGTAASA-N 2 1 228.380 1.514 20 0 BDADMP CSc1cc(C[NH2+][C@H](C)C2C[NH2+]C2)ccn1 ZINC000422988278 387797512 /nfs/dbraw/zinc/79/75/12/387797512.db2.gz KDXFAVLDJVUQFB-SECBINFHSA-N 2 1 237.372 1.501 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422991478 387799771 /nfs/dbraw/zinc/79/97/71/387799771.db2.gz BFBZNVQDVJFTDB-IJLUTSLNSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422993097 387801070 /nfs/dbraw/zinc/80/10/70/387801070.db2.gz SIMBTVVBGMRRGL-NEPJUHHUSA-N 2 1 226.364 1.127 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)[nH]n1 ZINC000422993704 387802076 /nfs/dbraw/zinc/80/20/76/387802076.db2.gz TZIXQLOLTMLZKM-XWIASGKRSA-N 2 1 236.363 1.379 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n[nH]1 ZINC000422993704 387802079 /nfs/dbraw/zinc/80/20/79/387802079.db2.gz TZIXQLOLTMLZKM-XWIASGKRSA-N 2 1 236.363 1.379 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CCCO ZINC000422999797 387804828 /nfs/dbraw/zinc/80/48/28/387804828.db2.gz YLDLZJCNQJDTGJ-VXGBXAGGSA-N 2 1 228.380 1.373 20 0 BDADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423001005 387805808 /nfs/dbraw/zinc/80/58/08/387805808.db2.gz HHBGGLGPODRGTQ-FRRDWIJNSA-N 2 1 242.407 1.760 20 0 BDADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000193815637 387809221 /nfs/dbraw/zinc/80/92/21/387809221.db2.gz LYYBHGTXPHINNL-MNOVXSKESA-N 2 1 228.405 1.954 20 0 BDADMP CC[C@@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000161990718 387756984 /nfs/dbraw/zinc/75/69/84/387756984.db2.gz FVKIGMHKVNUQEV-CYBMUJFWSA-N 2 1 239.363 1.674 20 0 BDADMP CC[C@@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000161990718 387756990 /nfs/dbraw/zinc/75/69/90/387756990.db2.gz FVKIGMHKVNUQEV-CYBMUJFWSA-N 2 1 239.363 1.674 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000422885911 387759338 /nfs/dbraw/zinc/75/93/38/387759338.db2.gz ZLBPVJFTLLJMNT-LBPRGKRZSA-N 3 1 215.385 1.434 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000422885911 387759344 /nfs/dbraw/zinc/75/93/44/387759344.db2.gz ZLBPVJFTLLJMNT-LBPRGKRZSA-N 3 1 215.385 1.434 20 0 BDADMP C[C@@H]([NH2+]CC1(O)CCCCC1)c1c[nH+]ccc1N ZINC000422971554 387820419 /nfs/dbraw/zinc/82/04/19/387820419.db2.gz JBVKFYQMZAFVDD-LLVKDONJSA-N 2 1 249.358 1.840 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000423003564 387825983 /nfs/dbraw/zinc/82/59/83/387825983.db2.gz HXWKKHKFXUJYRP-NDBYEHHHSA-N 2 1 226.364 1.125 20 0 BDADMP CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)[C@@H]1CCC[NH2+]1 ZINC000423008890 387832058 /nfs/dbraw/zinc/83/20/58/387832058.db2.gz USBRYRUTWMQHOF-LOWDOPEQSA-N 2 1 224.348 1.044 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1c[nH+]ccc1N ZINC000423009591 387833605 /nfs/dbraw/zinc/83/36/05/387833605.db2.gz VWIXAIOVULFGSF-SRVKXCTJSA-N 2 1 249.358 1.696 20 0 BDADMP CC(C)[C@H](O)C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000423016342 387838142 /nfs/dbraw/zinc/83/81/42/387838142.db2.gz MHYCRCKLMKWQAJ-AGIUHOORSA-N 2 1 240.391 1.514 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423014393 387838203 /nfs/dbraw/zinc/83/82/03/387838203.db2.gz IIRNMYWAURMSNZ-DDHJBXDOSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@@H](NCC1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019113 387841197 /nfs/dbraw/zinc/84/11/97/387841197.db2.gz UAKWZUZJHYCFJJ-KGLIPLIRSA-N 2 1 237.391 1.369 20 0 BDADMP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019113 387841199 /nfs/dbraw/zinc/84/11/99/387841199.db2.gz UAKWZUZJHYCFJJ-KGLIPLIRSA-N 3 1 237.391 1.369 20 0 BDADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019113 387841204 /nfs/dbraw/zinc/84/12/04/387841204.db2.gz UAKWZUZJHYCFJJ-KGLIPLIRSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000423017918 387842152 /nfs/dbraw/zinc/84/21/52/387842152.db2.gz PWDBAAFEYBHZCA-IUCAKERBSA-N 2 1 227.739 1.950 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000423031450 387846663 /nfs/dbraw/zinc/84/66/63/387846663.db2.gz DJSBVVVSPLCRML-DCAQKATOSA-N 2 1 239.388 1.977 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423032427 387848700 /nfs/dbraw/zinc/84/87/00/387848700.db2.gz MSKFOGCTURNMKS-UMSGYPCISA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423032427 387848705 /nfs/dbraw/zinc/84/87/05/387848705.db2.gz MSKFOGCTURNMKS-UMSGYPCISA-N 2 1 225.380 1.057 20 0 BDADMP C1CCC2(C1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCO[C@H]12 ZINC000423033601 387849138 /nfs/dbraw/zinc/84/91/38/387849138.db2.gz XEDDERFOHLEGNT-FDYHWXHSSA-N 2 1 236.359 1.286 20 0 BDADMP CC1=CC[N@H+](CCN[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000423032179 387849504 /nfs/dbraw/zinc/84/95/04/387849504.db2.gz DZXWABZCQJUVST-KGLIPLIRSA-N 2 1 237.391 1.226 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000423032179 387849508 /nfs/dbraw/zinc/84/95/08/387849508.db2.gz DZXWABZCQJUVST-KGLIPLIRSA-N 2 1 237.391 1.226 20 0 BDADMP C[C@H](C[NH2+]Cc1ccnn1C)C[NH+]1CCCC1 ZINC000062078508 387849619 /nfs/dbraw/zinc/84/96/19/387849619.db2.gz JTKZCVMKRXLSMO-GFCCVEGCSA-N 2 1 236.363 1.242 20 0 BDADMP CC1=CC[N@H+](CCN[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423039273 387853657 /nfs/dbraw/zinc/85/36/57/387853657.db2.gz QAKLMLZJFXKBAP-CHWSQXEVSA-N 2 1 225.380 1.354 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423039273 387853659 /nfs/dbraw/zinc/85/36/59/387853659.db2.gz QAKLMLZJFXKBAP-CHWSQXEVSA-N 2 1 225.380 1.354 20 0 BDADMP CCOC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000423074315 387874217 /nfs/dbraw/zinc/87/42/17/387874217.db2.gz UNLZRUSTSZBQCE-FRRDWIJNSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000423046141 387856782 /nfs/dbraw/zinc/85/67/82/387856782.db2.gz DVMOCIBSHOGBOR-ZZVYKPCYSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CNCC[C@H]1C)C(F)(F)F ZINC000423048690 387858557 /nfs/dbraw/zinc/85/85/57/387858557.db2.gz IIZBDAWAZCHCFL-IWSPIJDZSA-N 2 1 224.270 1.772 20 0 BDADMP C[C@@H]([NH2+]CCOC(F)(F)F)c1c[nH+]ccc1N ZINC000423073680 387874319 /nfs/dbraw/zinc/87/43/19/387874319.db2.gz RVHGFGJJIZZZCP-SSDOTTSWSA-N 2 1 249.236 1.681 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423056131 387862091 /nfs/dbraw/zinc/86/20/91/387862091.db2.gz FCDHUCOJILQYHX-GARJFASQSA-N 2 1 200.326 1.142 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000643535853 387865800 /nfs/dbraw/zinc/86/58/00/387865800.db2.gz JWDGDHCQNIULNB-UPJWGTAASA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCCCN1 ZINC000643535853 387865803 /nfs/dbraw/zinc/86/58/03/387865803.db2.gz JWDGDHCQNIULNB-UPJWGTAASA-N 2 1 237.391 1.249 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536421 387867725 /nfs/dbraw/zinc/86/77/25/387867725.db2.gz QSBOSGMPWDYXEK-AGIUHOORSA-N 2 1 237.391 1.378 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)C1C[NH2+]C1 ZINC000423069742 387872233 /nfs/dbraw/zinc/87/22/33/387872233.db2.gz BSKUBOJFAWAYJV-RISCZKNCSA-N 2 1 237.391 1.201 20 0 BDADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106458 387890748 /nfs/dbraw/zinc/89/07/48/387890748.db2.gz CVWIDPZNBWDDET-CYDGBPFRSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)O)CC[N@H+]1C ZINC000158087036 387891257 /nfs/dbraw/zinc/89/12/57/387891257.db2.gz IFUVAVRBBOCCNA-WDEREUQCSA-N 2 1 214.353 1.220 20 0 BDADMP CCOC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000423074317 387875112 /nfs/dbraw/zinc/87/51/12/387875112.db2.gz UNLZRUSTSZBQCE-RWMBFGLXSA-N 2 1 228.380 1.778 20 0 BDADMP CC[C@H]([NH2+]CCc1cnccn1)[C@@H]1CCCC[NH2+]1 ZINC000423085599 387881472 /nfs/dbraw/zinc/88/14/72/387881472.db2.gz KWTTUAVXMHSCCO-KBPBESRZSA-N 2 1 248.374 1.529 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000423104218 387889177 /nfs/dbraw/zinc/88/91/77/387889177.db2.gz GWGVPDXYXLOEDS-IHRRRGAJSA-N 3 1 239.407 1.578 20 0 BDADMP CCCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423104218 387889179 /nfs/dbraw/zinc/88/91/79/387889179.db2.gz GWGVPDXYXLOEDS-IHRRRGAJSA-N 3 1 239.407 1.578 20 0 BDADMP COc1ncccc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423141758 387919226 /nfs/dbraw/zinc/91/92/26/387919226.db2.gz RPSWPSZQWLADSO-WCQYABFASA-N 2 1 249.358 1.363 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)[C@H]1CC[NH2+]C1 ZINC000423124250 387903470 /nfs/dbraw/zinc/90/34/70/387903470.db2.gz OBHUVFJZCVUHGP-PWSUYJOCSA-N 2 1 244.342 1.651 20 0 BDADMP CCOCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423128047 387904844 /nfs/dbraw/zinc/90/48/44/387904844.db2.gz UTPDVFHAWRUFJH-RYUDHWBXSA-N 2 1 228.380 1.637 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423129431 387906636 /nfs/dbraw/zinc/90/66/36/387906636.db2.gz XAHBDMJPFGQXQI-MJBXVCDLSA-N 2 1 241.423 1.837 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423129456 387908093 /nfs/dbraw/zinc/90/80/93/387908093.db2.gz XBPIFNKCBDWSEY-IYXRBSQSSA-N 3 1 241.423 1.822 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423129456 387908097 /nfs/dbraw/zinc/90/80/97/387908097.db2.gz XBPIFNKCBDWSEY-IYXRBSQSSA-N 3 1 241.423 1.822 20 0 BDADMP COc1ccncc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423131857 387909384 /nfs/dbraw/zinc/90/93/84/387909384.db2.gz OPXIXMQNAQUNPR-UWVGGRQHSA-N 2 1 223.320 1.306 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133160 387909706 /nfs/dbraw/zinc/90/97/06/387909706.db2.gz CHAZPGBTAQKELW-IHRRRGAJSA-N 2 1 241.423 1.837 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423135210 387912415 /nfs/dbraw/zinc/91/24/15/387912415.db2.gz FNNZXLABHVHHKD-MJBXVCDLSA-N 2 1 241.423 1.694 20 0 BDADMP FCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423139479 387915641 /nfs/dbraw/zinc/91/56/41/387915641.db2.gz KVRZJDLGOWFKTP-YNEHKIRRSA-N 2 1 244.354 1.483 20 0 BDADMP FCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423139476 387915978 /nfs/dbraw/zinc/91/59/78/387915978.db2.gz KVRZJDLGOWFKTP-JHJVBQTASA-N 2 1 244.354 1.483 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423138135 387916125 /nfs/dbraw/zinc/91/61/25/387916125.db2.gz SFISURFLESHJRL-RKDXNWHRSA-N 2 1 225.336 1.761 20 0 BDADMP CCC[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000423151055 387930693 /nfs/dbraw/zinc/93/06/93/387930693.db2.gz ZRPYUKRVAWMCPF-GRYCIOLGSA-N 2 1 214.353 1.532 20 0 BDADMP CCCc1ncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000423151732 387930706 /nfs/dbraw/zinc/93/07/06/387930706.db2.gz DOHIEXBFFPGCLU-ZJUUUORDSA-N 2 1 225.336 1.843 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000423152710 387932770 /nfs/dbraw/zinc/93/27/70/387932770.db2.gz MAUZPWYFCVICCJ-RYUDHWBXSA-N 2 1 244.354 1.340 20 0 BDADMP CC[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000423143284 387920879 /nfs/dbraw/zinc/92/08/79/387920879.db2.gz WWFQEBMXFVEMOK-WOPDTQHZSA-N 2 1 214.353 1.532 20 0 BDADMP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C(F)F ZINC000423145193 387922453 /nfs/dbraw/zinc/92/24/53/387922453.db2.gz JNBMVEDBHRBQCB-DTWKUNHWSA-N 2 1 224.295 1.374 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423146315 387923781 /nfs/dbraw/zinc/92/37/81/387923781.db2.gz ABVNRIWTUBVDAW-NNYUYHANSA-N 2 1 212.337 1.284 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423167289 387952590 /nfs/dbraw/zinc/95/25/90/387952590.db2.gz RYCMPLGOPNKDII-WUHRBBMRSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2cncn2c1 ZINC000423167897 387952705 /nfs/dbraw/zinc/95/27/05/387952705.db2.gz FZOKAXLTRYAAGE-QWRGUYRKSA-N 2 1 232.331 1.550 20 0 BDADMP CC(C)OCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424286690 387953098 /nfs/dbraw/zinc/95/30/98/387953098.db2.gz HUAYBHWFKUMKRS-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000392322589 387954932 /nfs/dbraw/zinc/95/49/32/387954932.db2.gz VYAZSJHQDCRTKM-KGLIPLIRSA-N 2 1 237.391 1.369 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423158519 387939621 /nfs/dbraw/zinc/93/96/21/387939621.db2.gz CZDDRQDXIRCLKX-WISYIIOYSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1cccnc1CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423159585 387941693 /nfs/dbraw/zinc/94/16/93/387941693.db2.gz YJHVXIVGLRKETR-ZFWWWQNUSA-N 2 1 247.386 1.910 20 0 BDADMP C[C@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162813 387946089 /nfs/dbraw/zinc/94/60/89/387946089.db2.gz QGBOLVFYZHZWJJ-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162813 387946095 /nfs/dbraw/zinc/94/60/95/387946095.db2.gz QGBOLVFYZHZWJJ-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162808 387946878 /nfs/dbraw/zinc/94/68/78/387946878.db2.gz QGBOLVFYZHZWJJ-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423162808 387946880 /nfs/dbraw/zinc/94/68/80/387946880.db2.gz QGBOLVFYZHZWJJ-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000423165916 387950028 /nfs/dbraw/zinc/95/00/28/387950028.db2.gz BSWXXPONSHVZBD-UMSGYPCISA-N 2 1 238.375 1.674 20 0 BDADMP COc1ccc([C@@H]([NH2+]CC[NH3+])C(C)C)cc1 ZINC000423175729 387962192 /nfs/dbraw/zinc/96/21/92/387962192.db2.gz AXZSXLROPMWBRM-ZDUSSCGKSA-N 2 1 222.332 1.941 20 0 BDADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[NH3+])c1C ZINC000423184130 387970059 /nfs/dbraw/zinc/97/00/59/387970059.db2.gz MYADSKWGTKHOCC-LLVKDONJSA-N 2 1 249.358 1.569 20 0 BDADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)nc1 ZINC000227353487 387957520 /nfs/dbraw/zinc/95/75/20/387957520.db2.gz GQIIEKVDFWHMDD-QWHCGFSZSA-N 2 1 233.359 1.949 20 0 BDADMP CC[C@@H]([NH2+]CCc1cnc(C)cn1)[C@@H]1CCC[NH2+]1 ZINC000423170809 387957630 /nfs/dbraw/zinc/95/76/30/387957630.db2.gz YXRRQYYAHYQRIJ-KGLIPLIRSA-N 2 1 248.374 1.448 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000423197428 387981287 /nfs/dbraw/zinc/98/12/87/387981287.db2.gz ZIIUOURQTVRHHI-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCOC1 ZINC000245697964 387973394 /nfs/dbraw/zinc/97/33/94/387973394.db2.gz XDQHLDHDYZSLRV-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000245697964 387973398 /nfs/dbraw/zinc/97/33/98/387973398.db2.gz XDQHLDHDYZSLRV-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CCOC1 ZINC000245697964 387973401 /nfs/dbraw/zinc/97/34/01/387973401.db2.gz XDQHLDHDYZSLRV-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424341715 387981662 /nfs/dbraw/zinc/98/16/62/387981662.db2.gz VVMDMGPOZOLGMC-QMMMGPOBSA-N 2 1 224.308 1.598 20 0 BDADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CC1 ZINC000423190610 387975258 /nfs/dbraw/zinc/97/52/58/387975258.db2.gz RBZPMBSTEGNZTI-LBPRGKRZSA-N 2 1 233.359 1.949 20 0 BDADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000453088510 387982636 /nfs/dbraw/zinc/98/26/36/387982636.db2.gz APOWULBQPIULKW-NEPJUHHUSA-N 2 1 230.396 1.713 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000453085037 387982684 /nfs/dbraw/zinc/98/26/84/387982684.db2.gz GYNTXFDPSIVAIX-NEPJUHHUSA-N 2 1 236.363 1.792 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000453085037 387982688 /nfs/dbraw/zinc/98/26/88/387982688.db2.gz GYNTXFDPSIVAIX-NEPJUHHUSA-N 2 1 236.363 1.792 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCCc2occc21 ZINC000423199364 387985109 /nfs/dbraw/zinc/98/51/09/387985109.db2.gz JXRRBLJOVXMOEI-LLVKDONJSA-N 2 1 208.305 1.856 20 0 BDADMP C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1C ZINC000424376493 387998392 /nfs/dbraw/zinc/99/83/92/387998392.db2.gz PKGURUYHTJNCMX-WUHRBBMRSA-N 2 1 225.380 1.329 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]CC[NH2+]C)C12CCCCC2 ZINC000423223249 388004482 /nfs/dbraw/zinc/00/44/82/388004482.db2.gz FPUXSSWJOAYFFG-STQMWFEESA-N 2 1 240.391 1.923 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423232315 388017301 /nfs/dbraw/zinc/01/73/01/388017301.db2.gz BWNKOHWGOWEWIM-BPLDGKMQSA-N 2 1 247.386 1.616 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCCN1 ZINC000423238444 388022667 /nfs/dbraw/zinc/02/26/67/388022667.db2.gz AKEWJBHMQKWAEU-AGIUHOORSA-N 2 1 225.380 1.106 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423251028 388033542 /nfs/dbraw/zinc/03/35/42/388033542.db2.gz VJGGAJAHOUCUHU-BFHYXJOUSA-N 2 1 240.391 1.781 20 0 BDADMP c1ccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000082432948 388036146 /nfs/dbraw/zinc/03/61/46/388036146.db2.gz HIXKJDUNVDVNED-HUUCEWRRSA-N 2 1 246.354 1.639 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000423255114 388037673 /nfs/dbraw/zinc/03/76/73/388037673.db2.gz AUOQVPMLUWKPOI-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCN1C ZINC000423255114 388037676 /nfs/dbraw/zinc/03/76/76/388037676.db2.gz AUOQVPMLUWKPOI-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000082645467 388038029 /nfs/dbraw/zinc/03/80/29/388038029.db2.gz ZKEQNRKDKINRNH-NWDGAFQWSA-N 2 1 219.332 1.641 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1CC1 ZINC000423261987 388039799 /nfs/dbraw/zinc/03/97/99/388039799.db2.gz LGTRLADKUQYDBB-VXGBXAGGSA-N 2 1 214.353 1.374 20 0 BDADMP COC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C1CC1 ZINC000423261984 388039840 /nfs/dbraw/zinc/03/98/40/388039840.db2.gz LGTRLADKUQYDBB-NEPJUHHUSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)C1CCOCC1 ZINC000423261758 388040240 /nfs/dbraw/zinc/04/02/40/388040240.db2.gz KQUJXFUDLZHGMB-YPMHNXCESA-N 2 1 228.380 1.765 20 0 BDADMP COC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C1CC1 ZINC000423261985 388040287 /nfs/dbraw/zinc/04/02/87/388040287.db2.gz LGTRLADKUQYDBB-NWDGAFQWSA-N 2 1 214.353 1.374 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCCC[NH3+] ZINC000423262370 388040444 /nfs/dbraw/zinc/04/04/44/388040444.db2.gz MFYALEBPEUFAFM-NWDGAFQWSA-N 3 1 215.385 1.467 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000423262610 388040724 /nfs/dbraw/zinc/04/07/24/388040724.db2.gz MWHFHHLMPNSKRA-FRRDWIJNSA-N 2 1 228.380 1.765 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CCOC1 ZINC000423261535 388041051 /nfs/dbraw/zinc/04/10/51/388041051.db2.gz KBDTULPGRPBCFX-GRYCIOLGSA-N 2 1 214.353 1.374 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423266031 388043569 /nfs/dbraw/zinc/04/35/69/388043569.db2.gz RPMMZYZPXLJALY-KWCYVHTRSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423265725 388043933 /nfs/dbraw/zinc/04/39/33/388043933.db2.gz RGHMBQXBOWGIAG-XBFCOCLRSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423265725 388043936 /nfs/dbraw/zinc/04/39/36/388043936.db2.gz RGHMBQXBOWGIAG-XBFCOCLRSA-N 2 1 239.407 1.434 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423246583 388029545 /nfs/dbraw/zinc/02/95/45/388029545.db2.gz NZXRWDFDARJOPK-RWMBFGLXSA-N 2 1 226.364 1.391 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCO2)[C@@H]2CCC[C@@H]21 ZINC000453278685 388031161 /nfs/dbraw/zinc/03/11/61/388031161.db2.gz HZNYEXNYTPONCJ-RFGFWPKPSA-N 2 1 238.375 1.628 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000423273479 388053848 /nfs/dbraw/zinc/05/38/48/388053848.db2.gz IZVRGLBCYMOITR-AVGNSLFASA-N 2 1 208.349 1.892 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423274346 388054871 /nfs/dbraw/zinc/05/48/71/388054871.db2.gz MAEBTOWYFZZQMD-ZJUUUORDSA-N 2 1 225.311 1.727 20 0 BDADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000083683314 388058863 /nfs/dbraw/zinc/05/88/63/388058863.db2.gz MMJPWRUCOVCUFQ-AEGPPILISA-N 2 1 230.355 1.941 20 0 BDADMP CCC([NH3+])(CC)CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423287490 388071014 /nfs/dbraw/zinc/07/10/14/388071014.db2.gz MPSZHEIWGAYNHG-WCQYABFASA-N 2 1 239.407 1.576 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423287490 388071018 /nfs/dbraw/zinc/07/10/18/388071018.db2.gz MPSZHEIWGAYNHG-WCQYABFASA-N 2 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)[C@@H](C)C1 ZINC000453400770 388071901 /nfs/dbraw/zinc/07/19/01/388071901.db2.gz CZCJAVCMILGXAC-XUXIUFHCSA-N 2 1 240.391 1.874 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)[C@H](C)C1 ZINC000453400768 388072029 /nfs/dbraw/zinc/07/20/29/388072029.db2.gz CZCJAVCMILGXAC-RFGFWPKPSA-N 2 1 240.391 1.874 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423287488 388072106 /nfs/dbraw/zinc/07/21/06/388072106.db2.gz MPSZHEIWGAYNHG-AAEUAGOBSA-N 2 1 239.407 1.576 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423287488 388072108 /nfs/dbraw/zinc/07/21/08/388072108.db2.gz MPSZHEIWGAYNHG-AAEUAGOBSA-N 2 1 239.407 1.576 20 0 BDADMP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000423289946 388074723 /nfs/dbraw/zinc/07/47/23/388074723.db2.gz YOVSDXGOZKBTIF-NEPJUHHUSA-N 2 1 227.396 1.434 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCCOC ZINC000423294810 388076987 /nfs/dbraw/zinc/07/69/87/388076987.db2.gz CUEHBNDGPLAJEP-VXGBXAGGSA-N 2 1 216.369 1.909 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000423294822 388077760 /nfs/dbraw/zinc/07/77/60/388077760.db2.gz CUFXVCYILLBDBC-SDDRHHMPSA-N 2 1 214.353 1.519 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000336658971 388083369 /nfs/dbraw/zinc/08/33/69/388083369.db2.gz BGUXYGXAKAMWSY-QJPTWQEYSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400322424 388115074 /nfs/dbraw/zinc/11/50/74/388115074.db2.gz CIXZKMWVNBBSNS-IUCAKERBSA-N 2 1 240.269 1.295 20 0 BDADMP Cn1nccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453602558 388090961 /nfs/dbraw/zinc/09/09/61/388090961.db2.gz WVBMRJGVQKTMDA-UHFFFAOYSA-N 2 1 236.363 1.384 20 0 BDADMP C[C@H]1CC[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)O1 ZINC000453631123 388096051 /nfs/dbraw/zinc/09/60/51/388096051.db2.gz NQCDGVGGBTUSFB-AAEUAGOBSA-N 2 1 249.358 1.805 20 0 BDADMP C[C@@H](NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423272309 388050810 /nfs/dbraw/zinc/05/08/10/388050810.db2.gz JUOMCJIJPVSXPK-UPJWGTAASA-N 2 1 225.380 1.106 20 0 BDADMP C[C@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449244544 388161943 /nfs/dbraw/zinc/16/19/43/388161943.db2.gz UASUCACZAREKRE-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449244544 388161944 /nfs/dbraw/zinc/16/19/44/388161944.db2.gz UASUCACZAREKRE-DGCLKSJQSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449244543 388161973 /nfs/dbraw/zinc/16/19/73/388161973.db2.gz UASUCACZAREKRE-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449244543 388161974 /nfs/dbraw/zinc/16/19/74/388161974.db2.gz UASUCACZAREKRE-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP CCSCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261528440 135153539 /nfs/dbraw/zinc/15/35/39/135153539.db2.gz LRYWBNLZRJVLCS-QWRGUYRKSA-N 2 1 214.378 1.281 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250354309 388174687 /nfs/dbraw/zinc/17/46/87/388174687.db2.gz BHQASQCQSITTFV-QWRGUYRKSA-N 2 1 214.378 1.423 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)CCO)[C@H](C)C1 ZINC000449359902 388181412 /nfs/dbraw/zinc/18/14/12/388181412.db2.gz RUSDXVGJACMTOD-MCIONIFRSA-N 2 1 242.407 1.715 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000162174174 388121101 /nfs/dbraw/zinc/12/11/01/388121101.db2.gz RPXNLRUFPYNCMS-KWCYVHTRSA-N 2 1 242.407 1.856 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(C)s1 ZINC000517948256 256556690 /nfs/dbraw/zinc/55/66/90/256556690.db2.gz UHOLXRKUGNFYEK-LBPRGKRZSA-N 2 1 242.388 1.459 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(C)s1 ZINC000517948256 256556692 /nfs/dbraw/zinc/55/66/92/256556692.db2.gz UHOLXRKUGNFYEK-LBPRGKRZSA-N 2 1 242.388 1.459 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000449569337 388235339 /nfs/dbraw/zinc/23/53/39/388235339.db2.gz BEBNIGLPCXUSRY-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CCSCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000164792054 388248442 /nfs/dbraw/zinc/24/84/42/388248442.db2.gz BKSDDXDPNYLEPJ-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000233764498 388348720 /nfs/dbraw/zinc/34/87/20/388348720.db2.gz JUEMYVUTQZZUES-GUBZILKMSA-N 2 1 200.326 1.127 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC[N@H+]1C ZINC000163719577 388366694 /nfs/dbraw/zinc/36/66/94/388366694.db2.gz HIAMMBXPBMBMSD-NEPJUHHUSA-N 2 1 228.380 1.874 20 0 BDADMP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000572760947 388374104 /nfs/dbraw/zinc/37/41/04/388374104.db2.gz KMEVKWBCBXRJOK-RYUDHWBXSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@@H]([NH2+]CCOC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400761794 388374333 /nfs/dbraw/zinc/37/43/33/388374333.db2.gz YINQMNCXZCTSHS-DGCLKSJQSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316055809 388406131 /nfs/dbraw/zinc/40/61/31/388406131.db2.gz XUQXSFVZNQZEDY-HBJVGIJOSA-N 2 1 240.391 1.466 20 0 BDADMP FC1(F)CC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000300854766 388398643 /nfs/dbraw/zinc/39/86/43/388398643.db2.gz KBDMWJWNVKUEOE-GARJFASQSA-N 2 1 230.302 1.573 20 0 BDADMP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000322653577 388442851 /nfs/dbraw/zinc/44/28/51/388442851.db2.gz YGNCBULPZXMSTR-FRRDWIJNSA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000393903055 388445776 /nfs/dbraw/zinc/44/57/76/388445776.db2.gz ITHHUOWOUMUFOI-KJPMQGKISA-N 2 1 232.318 1.958 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000393522305 388432523 /nfs/dbraw/zinc/43/25/23/388432523.db2.gz QGSOOUUZVCNUDB-RCWTZXSCSA-N 2 1 232.318 1.960 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC[C@@H]1CCOC1 ZINC000339409390 388482838 /nfs/dbraw/zinc/48/28/38/388482838.db2.gz LZIWAJMCJBPEEM-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000378752801 388496348 /nfs/dbraw/zinc/49/63/48/388496348.db2.gz WAEWQDKPUOFBHZ-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000378752801 388496352 /nfs/dbraw/zinc/49/63/52/388496352.db2.gz WAEWQDKPUOFBHZ-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000378752801 388496354 /nfs/dbraw/zinc/49/63/54/388496354.db2.gz WAEWQDKPUOFBHZ-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000378752801 388496357 /nfs/dbraw/zinc/49/63/57/388496357.db2.gz WAEWQDKPUOFBHZ-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](CCOCC[N@H+](CC)C1CC1)C1CC1 ZINC000178593612 388503127 /nfs/dbraw/zinc/50/31/27/388503127.db2.gz LZFOIEXXAQEHDJ-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](CCOCC[N@H+](C)CC1CC1)CC1CC1 ZINC000178595862 388503237 /nfs/dbraw/zinc/50/32/37/388503237.db2.gz QQJLGXGCWLWVJO-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP CC[C@]1(C)C[N@@H+](CCCn2ccnc2)CCO1 ZINC000135699493 388505715 /nfs/dbraw/zinc/50/57/15/388505715.db2.gz GHKKLOCZLKCESA-CYBMUJFWSA-N 2 1 237.347 1.774 20 0 BDADMP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCC[N@H+]1C ZINC000646837666 388597784 /nfs/dbraw/zinc/59/77/84/388597784.db2.gz VXDIOWQJQYZHGA-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000649312806 388600339 /nfs/dbraw/zinc/60/03/39/388600339.db2.gz XWVKSGYSJKGPDZ-UHFFFAOYSA-N 2 1 243.395 1.352 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000186793396 388603612 /nfs/dbraw/zinc/60/36/12/388603612.db2.gz QKULVUDYRQDTFB-WUHRBBMRSA-N 2 1 226.364 1.362 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000186793396 388603615 /nfs/dbraw/zinc/60/36/15/388603615.db2.gz QKULVUDYRQDTFB-WUHRBBMRSA-N 2 1 226.364 1.362 20 0 BDADMP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)F ZINC000520878340 388557761 /nfs/dbraw/zinc/55/77/61/388557761.db2.gz VVLIUSPRXBZMAL-LLVKDONJSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000361183621 388559800 /nfs/dbraw/zinc/55/98/00/388559800.db2.gz ZGMDOTDAWXQROL-MBNYWOFBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000361183621 388559803 /nfs/dbraw/zinc/55/98/03/388559803.db2.gz ZGMDOTDAWXQROL-MBNYWOFBSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000361183621 388559806 /nfs/dbraw/zinc/55/98/06/388559806.db2.gz ZGMDOTDAWXQROL-MBNYWOFBSA-N 2 1 239.407 1.399 20 0 BDADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000361011331 388560086 /nfs/dbraw/zinc/56/00/86/388560086.db2.gz SGRQKKLHZZYGFD-FPMFFAJLSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)O ZINC000386746331 388576717 /nfs/dbraw/zinc/57/67/17/388576717.db2.gz ZSFOMIYYINSYGX-YFKTTZPYSA-N 2 1 214.353 1.218 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)O ZINC000386746331 388576721 /nfs/dbraw/zinc/57/67/21/388576721.db2.gz ZSFOMIYYINSYGX-YFKTTZPYSA-N 2 1 214.353 1.218 20 0 BDADMP COC[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247690087 388668316 /nfs/dbraw/zinc/66/83/16/388668316.db2.gz VTMUJJHESIKAFA-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247690087 388668318 /nfs/dbraw/zinc/66/83/18/388668318.db2.gz VTMUJJHESIKAFA-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP COC[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247690087 388668322 /nfs/dbraw/zinc/66/83/22/388668322.db2.gz VTMUJJHESIKAFA-NEPJUHHUSA-N 2 1 214.353 1.295 20 0 BDADMP Cn1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000522020460 388675380 /nfs/dbraw/zinc/67/53/80/388675380.db2.gz BGBAGRHKVBMEHD-UHFFFAOYSA-N 2 1 236.363 1.194 20 0 BDADMP CO[C@H](C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000248421416 388679167 /nfs/dbraw/zinc/67/91/67/388679167.db2.gz MGQNXKAREBZZKD-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@H](C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000248421416 388679170 /nfs/dbraw/zinc/67/91/70/388679170.db2.gz MGQNXKAREBZZKD-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CO[C@H](C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000248421416 388679171 /nfs/dbraw/zinc/67/91/71/388679171.db2.gz MGQNXKAREBZZKD-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178815 388621334 /nfs/dbraw/zinc/62/13/34/388621334.db2.gz OBCCBQVVVNSLAT-MRVWCRGKSA-N 2 1 249.402 1.343 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCOCC2)[C@@H](C)C1 ZINC000246321265 388630346 /nfs/dbraw/zinc/63/03/46/388630346.db2.gz MYMLIVURMNINHL-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000530225041 388635202 /nfs/dbraw/zinc/63/52/02/388635202.db2.gz LWUUQDUOGNNVHE-LBPRGKRZSA-N 2 1 221.348 1.853 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCOC ZINC000246859592 388653666 /nfs/dbraw/zinc/65/36/66/388653666.db2.gz BWGUQWBYQRKPMN-NEPJUHHUSA-N 2 1 216.369 1.731 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCOC ZINC000246859592 388653668 /nfs/dbraw/zinc/65/36/68/388653668.db2.gz BWGUQWBYQRKPMN-NEPJUHHUSA-N 2 1 216.369 1.731 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)COC)C1 ZINC000247017792 388657577 /nfs/dbraw/zinc/65/75/77/388657577.db2.gz LPHFMGBGUXOLAQ-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000247213710 388660493 /nfs/dbraw/zinc/66/04/93/388660493.db2.gz MAVGQAZEPRSWMW-CHWSQXEVSA-N 2 1 208.349 1.979 20 0 BDADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)COC ZINC000249947038 388735687 /nfs/dbraw/zinc/73/56/87/388735687.db2.gz UPZUZUAUDVWHBW-MJBXVCDLSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227077042 388739558 /nfs/dbraw/zinc/73/95/58/388739558.db2.gz VMUAHBQJFIWCDK-WDEREUQCSA-N 2 1 205.305 1.564 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1C ZINC000251795812 388753578 /nfs/dbraw/zinc/75/35/78/388753578.db2.gz MBPUVDPJNCNBIO-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@@H]1C ZINC000251795812 388753585 /nfs/dbraw/zinc/75/35/85/388753585.db2.gz MBPUVDPJNCNBIO-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@@H]1C ZINC000251795812 388753589 /nfs/dbraw/zinc/75/35/89/388753589.db2.gz MBPUVDPJNCNBIO-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000126177437 388690042 /nfs/dbraw/zinc/69/00/42/388690042.db2.gz QMVCRHJAVNNVQL-OCCSQVGLSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCN1C ZINC000126177437 388690045 /nfs/dbraw/zinc/69/00/45/388690045.db2.gz QMVCRHJAVNNVQL-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000249072748 388706803 /nfs/dbraw/zinc/70/68/03/388706803.db2.gz QPPZVSCGZFRGRE-ZIAGYGMSSA-N 2 1 242.407 1.811 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249082499 388707740 /nfs/dbraw/zinc/70/77/40/388707740.db2.gz DIQREXVGAWIWBR-WISYIIOYSA-N 2 1 214.353 1.076 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000249289082 388715393 /nfs/dbraw/zinc/71/53/93/388715393.db2.gz MCBKVEJMAGFNAQ-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000127480787 388724504 /nfs/dbraw/zinc/72/45/04/388724504.db2.gz NUXPMRKTGBOCEM-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000252712490 388772826 /nfs/dbraw/zinc/77/28/26/388772826.db2.gz MPBZMSWWWNNUSI-DGCLKSJQSA-N 2 1 249.358 1.520 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000252712490 388772827 /nfs/dbraw/zinc/77/28/27/388772827.db2.gz MPBZMSWWWNNUSI-DGCLKSJQSA-N 2 1 249.358 1.520 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC(C)(C)[NH+](C)C ZINC000252710300 388773910 /nfs/dbraw/zinc/77/39/10/388773910.db2.gz GGPOPSWOPDXTKN-NWDGAFQWSA-N 2 1 227.396 1.256 20 0 BDADMP C[C@@H]1C[C@H](NCCC[NH+](C)C)CC[N@H+]1C ZINC000129553269 388851880 /nfs/dbraw/zinc/85/18/80/388851880.db2.gz XSCJRQGGNYXKLC-VXGBXAGGSA-N 2 1 213.369 1.010 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC12CC2)c1c[nH+]ccc1N ZINC000564651021 388880349 /nfs/dbraw/zinc/88/03/49/388880349.db2.gz LFSWFTDBKBJBOD-GZMMTYOYSA-N 2 1 203.289 1.697 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC2CC2)C1 ZINC000565724111 388963731 /nfs/dbraw/zinc/96/37/31/388963731.db2.gz LTPLOJDIQJYYJL-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000565724111 388963738 /nfs/dbraw/zinc/96/37/38/388963738.db2.gz LTPLOJDIQJYYJL-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000565724111 388963726 /nfs/dbraw/zinc/96/37/26/388963726.db2.gz LTPLOJDIQJYYJL-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC2CC2)C1 ZINC000565724111 388963733 /nfs/dbraw/zinc/96/37/33/388963733.db2.gz LTPLOJDIQJYYJL-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000565724111 388963741 /nfs/dbraw/zinc/96/37/41/388963741.db2.gz LTPLOJDIQJYYJL-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC2CC2)C1 ZINC000565724110 388966543 /nfs/dbraw/zinc/96/65/43/388966543.db2.gz LTPLOJDIQJYYJL-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000565724110 388966551 /nfs/dbraw/zinc/96/65/51/388966551.db2.gz LTPLOJDIQJYYJL-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000565724110 388966540 /nfs/dbraw/zinc/96/65/40/388966540.db2.gz LTPLOJDIQJYYJL-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC2CC2)C1 ZINC000565724110 388966546 /nfs/dbraw/zinc/96/65/46/388966546.db2.gz LTPLOJDIQJYYJL-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000565724110 388966548 /nfs/dbraw/zinc/96/65/48/388966548.db2.gz LTPLOJDIQJYYJL-KGLIPLIRSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)OCCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565488494 388948966 /nfs/dbraw/zinc/94/89/66/388948966.db2.gz AHKAAELZMWFOLY-QWHCGFSZSA-N 2 1 226.364 1.580 20 0 BDADMP CC(C)OCCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565488494 388948964 /nfs/dbraw/zinc/94/89/64/388948964.db2.gz AHKAAELZMWFOLY-QWHCGFSZSA-N 2 1 226.364 1.580 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000566089792 388986803 /nfs/dbraw/zinc/98/68/03/388986803.db2.gz YCXPPUKZWQLXQP-QJPTWQEYSA-N 2 1 214.353 1.388 20 0 BDADMP Cc1ccoc1C[NH2+]CCn1cc[nH+]c1C ZINC000266241954 388995054 /nfs/dbraw/zinc/99/50/54/388995054.db2.gz XHEODGLGVZCWOX-UHFFFAOYSA-N 2 1 219.288 1.883 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccnc2)CC1 ZINC000271824142 389026707 /nfs/dbraw/zinc/02/67/07/389026707.db2.gz DBBQNGQDNRKLKA-UHFFFAOYSA-N 2 1 217.316 1.433 20 0 BDADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC1 ZINC000273662555 389043097 /nfs/dbraw/zinc/04/30/97/389043097.db2.gz YHDBLCRNQYTVPT-UHFFFAOYSA-N 2 1 205.305 1.790 20 0 BDADMP C(C[N@H+]1CC[C@@]2(CCOC2)C1)C1CC[NH2+]CC1 ZINC000336081012 533364260 /nfs/dbraw/zinc/36/42/60/533364260.db2.gz YTVSKWWIGBELFO-CQSZACIVSA-N 2 1 238.375 1.489 20 0 BDADMP C[C@@H](NCCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400744812 533376256 /nfs/dbraw/zinc/37/62/56/533376256.db2.gz UHDOIBFJXULVMU-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261531698 533377112 /nfs/dbraw/zinc/37/71/12/533377112.db2.gz HNCOLRYTGPZFEX-UTUOFQBUSA-N 2 1 226.389 1.423 20 0 BDADMP C[C@@H]([NH2+]CCc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000400391159 533405166 /nfs/dbraw/zinc/40/51/66/533405166.db2.gz NHXSRVPBVKJMPP-YPMHNXCESA-N 2 1 219.332 1.354 20 0 BDADMP Cc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc[nH+]1 ZINC000292909366 132219269 /nfs/dbraw/zinc/21/92/69/132219269.db2.gz XICWKKGEBTXAEF-TXEJJXNPSA-N 2 1 219.332 1.919 20 0 BDADMP CC1(C)CN(c2cc[nH+]cc2Cl)CC[NH2+]1 ZINC000133194623 132237411 /nfs/dbraw/zinc/23/74/11/132237411.db2.gz WFSBJMRRNPHKLR-UHFFFAOYSA-N 2 1 225.723 1.923 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000336022143 134055771 /nfs/dbraw/zinc/05/57/71/134055771.db2.gz BPAXJBTVSAYDRD-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000336022143 134055772 /nfs/dbraw/zinc/05/57/72/134055772.db2.gz BPAXJBTVSAYDRD-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000336054937 134066122 /nfs/dbraw/zinc/06/61/22/134066122.db2.gz PPHOVGFBAKYFMH-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CC[C@H](F)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336125081 134092621 /nfs/dbraw/zinc/09/26/21/134092621.db2.gz ZPOLEWSTYKDLMH-RYUDHWBXSA-N 2 1 214.328 1.762 20 0 BDADMP Cc1nccn1CC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000336130788 134094012 /nfs/dbraw/zinc/09/40/12/134094012.db2.gz GBIIFIDLIGBHMK-CYBMUJFWSA-N 2 1 249.358 1.571 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000167606723 134152901 /nfs/dbraw/zinc/15/29/01/134152901.db2.gz WENUFAAYZKWSAW-YPMHNXCESA-N 2 1 219.332 1.498 20 0 BDADMP OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000168915408 134248667 /nfs/dbraw/zinc/24/86/67/134248667.db2.gz XVVFDLHLVNCLAU-PQAZSJQKSA-N 2 1 238.375 1.506 20 0 BDADMP OC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000168915408 134248668 /nfs/dbraw/zinc/24/86/68/134248668.db2.gz XVVFDLHLVNCLAU-PQAZSJQKSA-N 2 1 238.375 1.506 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217505168 134249138 /nfs/dbraw/zinc/24/91/38/134249138.db2.gz ZCJWRLPSNNPVIB-RYUDHWBXSA-N 2 1 219.332 1.813 20 0 BDADMP C[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H]1C ZINC000178724361 134310361 /nfs/dbraw/zinc/31/03/61/134310361.db2.gz WCOXGXSWBAPZRY-OKILXGFUSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@@H]1C ZINC000178724361 134310362 /nfs/dbraw/zinc/31/03/62/134310362.db2.gz WCOXGXSWBAPZRY-OKILXGFUSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@@H]1C ZINC000178724361 134310363 /nfs/dbraw/zinc/31/03/63/134310363.db2.gz WCOXGXSWBAPZRY-OKILXGFUSA-N 2 1 240.391 1.972 20 0 BDADMP CCCC[N@@H+](CCOC)CC1CC[NH2+]CC1 ZINC000178972736 134313892 /nfs/dbraw/zinc/31/38/92/134313892.db2.gz IKSYKCZVIGBUPK-UHFFFAOYSA-N 2 1 228.380 1.735 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C[C@@H]1C ZINC000221402618 134324422 /nfs/dbraw/zinc/32/44/22/134324422.db2.gz GFBLZZVYATVVFG-MROQNXINSA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222908397 134336041 /nfs/dbraw/zinc/33/60/41/134336041.db2.gz ZLPXPYNSUMJCRN-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP CO[C@@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182192177 134342314 /nfs/dbraw/zinc/34/23/14/134342314.db2.gz UCXHGHSCVIZLOD-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248987378 135029543 /nfs/dbraw/zinc/02/95/43/135029543.db2.gz XBAZIKGNRDDGIH-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248987378 135029546 /nfs/dbraw/zinc/02/95/46/135029546.db2.gz XBAZIKGNRDDGIH-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248987378 135029547 /nfs/dbraw/zinc/02/95/47/135029547.db2.gz XBAZIKGNRDDGIH-RDBSUJKOSA-N 2 1 240.391 1.828 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249055883 135031108 /nfs/dbraw/zinc/03/11/08/135031108.db2.gz YQAAZWZEBVJQNX-WYTNZGFTSA-N 2 1 238.375 1.769 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249317417 135042721 /nfs/dbraw/zinc/04/27/21/135042721.db2.gz PWGIIFIZJMRSIG-VXGBXAGGSA-N 2 1 236.363 1.413 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249317417 135042722 /nfs/dbraw/zinc/04/27/22/135042722.db2.gz PWGIIFIZJMRSIG-VXGBXAGGSA-N 2 1 236.363 1.413 20 0 BDADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000250456038 135055181 /nfs/dbraw/zinc/05/51/81/135055181.db2.gz IKABRSCPQHLURP-RDBSUJKOSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1c2ccsc2CC[N@@H+]1CCOCC[NH3+] ZINC000086435566 135084132 /nfs/dbraw/zinc/08/41/32/135084132.db2.gz MEDRGRRPUUAQLI-SNVBAGLBSA-N 2 1 240.372 1.643 20 0 BDADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000086435364 135084737 /nfs/dbraw/zinc/08/47/37/135084737.db2.gz XSUXVZXIONLUKH-UHFFFAOYSA-N 2 1 222.332 1.402 20 0 BDADMP CC(C)[C@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000086435846 135084842 /nfs/dbraw/zinc/08/48/42/135084842.db2.gz UUDMCUOXMUCBKN-ZDUSSCGKSA-N 2 1 228.380 1.720 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251888205 135094247 /nfs/dbraw/zinc/09/42/47/135094247.db2.gz VICKWRAWTYSDCB-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP C([NH2+]C1CCCC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668090 135095071 /nfs/dbraw/zinc/09/50/71/135095071.db2.gz RNTFEIRJEXSTCI-QWHCGFSZSA-N 2 1 224.348 1.382 20 0 BDADMP C([NH2+]C1CCCC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668090 135095073 /nfs/dbraw/zinc/09/50/73/135095073.db2.gz RNTFEIRJEXSTCI-QWHCGFSZSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252682961 135095920 /nfs/dbraw/zinc/09/59/20/135095920.db2.gz CYQVCAKMRKWFNU-RKFYDKJMSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000252682961 135095921 /nfs/dbraw/zinc/09/59/21/135095921.db2.gz CYQVCAKMRKWFNU-RKFYDKJMSA-N 2 1 238.375 1.769 20 0 BDADMP CC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252708496 135098297 /nfs/dbraw/zinc/09/82/97/135098297.db2.gz AFWZLSSTASYXDS-FVCCEPFGSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000252709238 135099136 /nfs/dbraw/zinc/09/91/36/135099136.db2.gz CJQGZCOSNSAITF-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000252709238 135099137 /nfs/dbraw/zinc/09/91/37/135099137.db2.gz CJQGZCOSNSAITF-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000252709237 135099228 /nfs/dbraw/zinc/09/92/28/135099228.db2.gz CJQGZCOSNSAITF-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000252709237 135099230 /nfs/dbraw/zinc/09/92/30/135099230.db2.gz CJQGZCOSNSAITF-GRYCIOLGSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCSCCCO ZINC000252711360 135099634 /nfs/dbraw/zinc/09/96/34/135099634.db2.gz JINLJPYSDZXLFT-VXGBXAGGSA-N 2 1 246.420 1.032 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000252712319 135100953 /nfs/dbraw/zinc/10/09/53/135100953.db2.gz MBVIMNSXNKLOCU-VOAKCMCISA-N 2 1 210.365 1.962 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)OC)C1 ZINC000261807383 135112237 /nfs/dbraw/zinc/11/22/37/135112237.db2.gz HIUMKVSZRQCNDO-LLVKDONJSA-N 2 1 242.363 1.117 20 0 BDADMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253178953 135123131 /nfs/dbraw/zinc/12/31/31/135123131.db2.gz CMTUOYVOEGGJQA-GRYCIOLGSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253178953 135123132 /nfs/dbraw/zinc/12/31/32/135123132.db2.gz CMTUOYVOEGGJQA-GRYCIOLGSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@H]1O ZINC000253176298 135123232 /nfs/dbraw/zinc/12/32/32/135123232.db2.gz FZFDCGUSCCKSTC-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC[C@H]1O ZINC000253176298 135123233 /nfs/dbraw/zinc/12/32/33/135123233.db2.gz FZFDCGUSCCKSTC-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC[C@H]1O ZINC000253176298 135123235 /nfs/dbraw/zinc/12/32/35/135123235.db2.gz FZFDCGUSCCKSTC-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)CCCO)CC1 ZINC000087358099 135124611 /nfs/dbraw/zinc/12/46/11/135124611.db2.gz GULZESKSRGNAOL-NSHDSACASA-N 2 1 214.353 1.221 20 0 BDADMP C[N@H+](CCOCC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000087399277 135129377 /nfs/dbraw/zinc/12/93/77/135129377.db2.gz UFNIMUKYKMACOJ-LBPRGKRZSA-N 2 1 212.337 1.082 20 0 BDADMP C[N@@H+](CCOCC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000087399277 135129379 /nfs/dbraw/zinc/12/93/79/135129379.db2.gz UFNIMUKYKMACOJ-LBPRGKRZSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000258811939 135134580 /nfs/dbraw/zinc/13/45/80/135134580.db2.gz CPAAMCHTHUNDIQ-QWHCGFSZSA-N 2 1 204.317 1.964 20 0 BDADMP CN(C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258945238 135136092 /nfs/dbraw/zinc/13/60/92/135136092.db2.gz IEVYYTKYJDFZBR-ZIAGYGMSSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257644398 135137880 /nfs/dbraw/zinc/13/78/80/135137880.db2.gz BSNHNCVULVMRNW-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257644398 135137881 /nfs/dbraw/zinc/13/78/81/135137881.db2.gz BSNHNCVULVMRNW-AWEZNQCLSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257685773 135139116 /nfs/dbraw/zinc/13/91/16/135139116.db2.gz MFDDLPZNSVWNJP-CYBMUJFWSA-N 2 1 234.347 1.294 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257685773 135139118 /nfs/dbraw/zinc/13/91/18/135139118.db2.gz MFDDLPZNSVWNJP-CYBMUJFWSA-N 2 1 234.347 1.294 20 0 BDADMP C(C1CCC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261529040 135155350 /nfs/dbraw/zinc/15/53/50/135155350.db2.gz ADTMSKWEAIJHBJ-UHFFFAOYSA-N 2 1 208.349 1.862 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261530337 135157409 /nfs/dbraw/zinc/15/74/09/135157409.db2.gz CMZYSXNEGBZDRK-LLVKDONJSA-N 2 1 225.361 1.622 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261530337 135157410 /nfs/dbraw/zinc/15/74/10/135157410.db2.gz CMZYSXNEGBZDRK-LLVKDONJSA-N 2 1 225.361 1.622 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261531675 135160918 /nfs/dbraw/zinc/16/09/18/135160918.db2.gz HLQRBYTZUPEIBU-NEPJUHHUSA-N 2 1 212.337 1.095 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCSC3)C[C@@H]12 ZINC000261532769 135163075 /nfs/dbraw/zinc/16/30/75/135163075.db2.gz KDBJUIBLSMESAE-IRCOFANPSA-N 2 1 226.389 1.409 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[NH2+]CC1 ZINC000261533035 135164301 /nfs/dbraw/zinc/16/43/01/135164301.db2.gz GCQKIHNQGSZSPC-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP CCc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000261534304 135166728 /nfs/dbraw/zinc/16/67/28/135166728.db2.gz PQSIJCPODBCSFB-LDYMZIIASA-N 2 1 220.320 1.131 20 0 BDADMP CC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000261534694 135167526 /nfs/dbraw/zinc/16/75/26/135167526.db2.gz MXSSEKWTNDCVIZ-VXGBXAGGSA-N 2 1 208.349 1.860 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261535248 135169688 /nfs/dbraw/zinc/16/96/88/135169688.db2.gz XGIVGZHYCHZQTP-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261535250 135169895 /nfs/dbraw/zinc/16/98/95/135169895.db2.gz XGKPLESKBAKPOU-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP CCN(CC[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261535250 135169897 /nfs/dbraw/zinc/16/98/97/135169897.db2.gz XGKPLESKBAKPOU-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP COc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000261535865 135170459 /nfs/dbraw/zinc/17/04/59/135170459.db2.gz PMLPSDMUCDYHGL-UWVGGRQHSA-N 2 1 208.305 1.521 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000261537172 135173785 /nfs/dbraw/zinc/17/37/85/135173785.db2.gz VBXVUKZKLBGDIC-YVECIDJPSA-N 2 1 210.365 1.962 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC[C@@H]1C ZINC000261539752 135178443 /nfs/dbraw/zinc/17/84/43/135178443.db2.gz BLCNNEUYHAWRPF-REWJHTLYSA-N 2 1 240.391 1.731 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000261540307 135179195 /nfs/dbraw/zinc/17/91/95/135179195.db2.gz FVYIOZKBMGZLHN-JSGCOSHPSA-N 2 1 239.407 1.578 20 0 BDADMP CCN(CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000261540307 135179196 /nfs/dbraw/zinc/17/91/96/135179196.db2.gz FVYIOZKBMGZLHN-JSGCOSHPSA-N 2 1 239.407 1.578 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261541020 135181224 /nfs/dbraw/zinc/18/12/24/135181224.db2.gz IPJYECXBWVABDI-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000261543238 135183827 /nfs/dbraw/zinc/18/38/27/135183827.db2.gz RYLBSQSQVIDPHS-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1CCSCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261544522 135186240 /nfs/dbraw/zinc/18/62/40/135186240.db2.gz IYRKAOYZBPUQBP-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CCC1(C[N@H+]2CC[C@@H](C[NH2+]C)C2)CCOCC1 ZINC000261552281 135190993 /nfs/dbraw/zinc/19/09/93/135190993.db2.gz MVTZNLHRQVTHEL-ZDUSSCGKSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N(C)C ZINC000084216332 135192136 /nfs/dbraw/zinc/19/21/36/135192136.db2.gz QOVAJCCYEFRQNU-IJLUTSLNSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261554205 135193809 /nfs/dbraw/zinc/19/38/09/135193809.db2.gz UAYHTNAICXZIKO-VXGBXAGGSA-N 2 1 208.349 1.718 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261560166 135200762 /nfs/dbraw/zinc/20/07/62/135200762.db2.gz UGYPXYMGCCGBDF-IHRRRGAJSA-N 2 1 231.343 1.559 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261561238 135202675 /nfs/dbraw/zinc/20/26/75/135202675.db2.gz ANEJQRARWDNMBO-NZEXEKPDSA-N 2 1 208.349 1.702 20 0 BDADMP Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261562182 135203953 /nfs/dbraw/zinc/20/39/53/135203953.db2.gz WATMDOKBIRQXSW-GXTWGEPZSA-N 2 1 232.327 1.576 20 0 BDADMP Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261562182 135203954 /nfs/dbraw/zinc/20/39/54/135203954.db2.gz WATMDOKBIRQXSW-GXTWGEPZSA-N 2 1 232.327 1.576 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562896 135204431 /nfs/dbraw/zinc/20/44/31/135204431.db2.gz BRVOHKKFARMCFP-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562896 135204432 /nfs/dbraw/zinc/20/44/32/135204432.db2.gz BRVOHKKFARMCFP-STQMWFEESA-N 2 1 226.364 1.343 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261564797 135206813 /nfs/dbraw/zinc/20/68/13/135206813.db2.gz CSAKKLIETVKQLK-LBPRGKRZSA-N 2 1 239.388 1.931 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261567576 135209168 /nfs/dbraw/zinc/20/91/68/135209168.db2.gz DZXYJPUNXNAQAJ-LBPRGKRZSA-N 2 1 223.320 1.462 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261567576 135209169 /nfs/dbraw/zinc/20/91/69/135209169.db2.gz DZXYJPUNXNAQAJ-LBPRGKRZSA-N 2 1 223.320 1.462 20 0 BDADMP CCc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000163993653 135210659 /nfs/dbraw/zinc/21/06/59/135210659.db2.gz YIDNYXJOUBCYJN-CMPLNLGQSA-N 2 1 248.374 1.769 20 0 BDADMP Cc1ncsc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261571315 135212798 /nfs/dbraw/zinc/21/27/98/135212798.db2.gz HKSHJJNZBBGMAH-DCAQKATOSA-N 2 1 237.372 1.621 20 0 BDADMP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261571854 135214350 /nfs/dbraw/zinc/21/43/50/135214350.db2.gz LKCIXZJVVKQHBB-DZGCQCFKSA-N 2 1 246.354 1.879 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261571854 135214352 /nfs/dbraw/zinc/21/43/52/135214352.db2.gz LKCIXZJVVKQHBB-DZGCQCFKSA-N 2 1 246.354 1.879 20 0 BDADMP Cc1cc[nH+]c(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261575403 135216923 /nfs/dbraw/zinc/21/69/23/135216923.db2.gz JQUFUUMPEVVNJQ-SDDRHHMPSA-N 2 1 217.316 1.564 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261576534 135217536 /nfs/dbraw/zinc/21/75/36/135217536.db2.gz NSFGAICTQJHRCZ-RYUDHWBXSA-N 2 1 247.342 1.279 20 0 BDADMP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000084384445 135218188 /nfs/dbraw/zinc/21/81/88/135218188.db2.gz WJPBEEFZFZURDJ-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261580660 135221383 /nfs/dbraw/zinc/22/13/83/135221383.db2.gz NBIQFEDYPOCWMC-PWSUYJOCSA-N 2 1 219.332 1.559 20 0 BDADMP COCc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000261585096 135226076 /nfs/dbraw/zinc/22/60/76/135226076.db2.gz QDQCCKYEPQDKAM-MNOVXSKESA-N 2 1 222.332 1.658 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261587928 135228177 /nfs/dbraw/zinc/22/81/77/135228177.db2.gz RYUNGSWYDMZDAM-JQWIXIFHSA-N 2 1 219.332 1.559 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261587391 135228605 /nfs/dbraw/zinc/22/86/05/135228605.db2.gz UZVBSVJFEJNJJT-KBPBESRZSA-N 2 1 246.354 1.607 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261591452 135231861 /nfs/dbraw/zinc/23/18/61/135231861.db2.gz VJTJLCVPCDSZIU-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261591452 135231862 /nfs/dbraw/zinc/23/18/62/135231862.db2.gz VJTJLCVPCDSZIU-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261596169 135235627 /nfs/dbraw/zinc/23/56/27/135235627.db2.gz YOVHKFXWZPGIFH-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP CCC[N@H+](C[C@H](C)[NH3+])C[C@H]1CCCCO1 ZINC000261597451 135236635 /nfs/dbraw/zinc/23/66/35/135236635.db2.gz ZBOFNCOLHONRMP-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP CCC[N@@H+](C[C@H](C)[NH3+])C[C@H]1CCCCO1 ZINC000261597451 135236637 /nfs/dbraw/zinc/23/66/37/135236637.db2.gz ZBOFNCOLHONRMP-NWDGAFQWSA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@H]1CCOC1 ZINC000261598026 135236649 /nfs/dbraw/zinc/23/66/49/135236649.db2.gz ZIQAQOVCWOCWCQ-WOPDTQHZSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000261546567 135238862 /nfs/dbraw/zinc/23/88/62/135238862.db2.gz HAGOYBDCLXCZLJ-IACUBPJLSA-N 2 1 234.318 1.995 20 0 BDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000261547177 135239999 /nfs/dbraw/zinc/23/99/99/135239999.db2.gz LZCJRMHMIYKEGF-ZFWWWQNUSA-N 2 1 247.386 1.458 20 0 BDADMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261734706 135248959 /nfs/dbraw/zinc/24/89/59/135248959.db2.gz HPNGHVSAAIGICJ-MRVWCRGKSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000261734706 135248960 /nfs/dbraw/zinc/24/89/60/135248960.db2.gz HPNGHVSAAIGICJ-MRVWCRGKSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCOCC1 ZINC000164422635 135252019 /nfs/dbraw/zinc/25/20/19/135252019.db2.gz SCXIUNAOSGRTSS-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261783926 135252585 /nfs/dbraw/zinc/25/25/85/135252585.db2.gz FPVYMDNQWAXWGX-CYBMUJFWSA-N 2 1 236.363 1.635 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261783926 135252586 /nfs/dbraw/zinc/25/25/86/135252586.db2.gz FPVYMDNQWAXWGX-CYBMUJFWSA-N 2 1 236.363 1.635 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261879623 135259227 /nfs/dbraw/zinc/25/92/27/135259227.db2.gz QREZMKGUZROSEW-YPMHNXCESA-N 2 1 240.347 1.014 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261924070 135263397 /nfs/dbraw/zinc/26/33/97/135263397.db2.gz KUTPJNPWLQDBKU-RWMBFGLXSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)[C@H](C)O1 ZINC000261921902 135263468 /nfs/dbraw/zinc/26/34/68/135263468.db2.gz KPMAJPRVFJVTON-WOPDTQHZSA-N 2 1 226.364 1.484 20 0 BDADMP COCC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261956364 135266469 /nfs/dbraw/zinc/26/64/69/135266469.db2.gz OSVPZATYNBMPKC-QJPTWQEYSA-N 2 1 226.364 1.328 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2cocn2)CC1 ZINC000262007833 135272184 /nfs/dbraw/zinc/27/21/84/135272184.db2.gz UTWHBSJJMOAULL-UHFFFAOYSA-N 2 1 223.320 1.496 20 0 BDADMP Cc1cnc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)n1C ZINC000342779099 135317678 /nfs/dbraw/zinc/31/76/78/135317678.db2.gz OLPGLMBUTMRGEA-STQMWFEESA-N 2 1 248.374 1.255 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000334277254 135333642 /nfs/dbraw/zinc/33/36/42/135333642.db2.gz SQSCNCVZYFUSFP-WCQYABFASA-N 3 1 225.380 1.045 20 0 BDADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)on1 ZINC000334313667 135351769 /nfs/dbraw/zinc/35/17/69/135351769.db2.gz YFEJDVBPNURQRW-GXTWGEPZSA-N 2 1 249.358 1.899 20 0 BDADMP CCC[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000306776492 135378638 /nfs/dbraw/zinc/37/86/38/135378638.db2.gz YXSXCCBOZLTZOG-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c[nH]1 ZINC000080773801 135384857 /nfs/dbraw/zinc/38/48/57/135384857.db2.gz KZXYKJJOJGOHSW-LBPRGKRZSA-N 2 1 219.332 1.589 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000334398449 135387754 /nfs/dbraw/zinc/38/77/54/135387754.db2.gz LXZQCPVHBGGGOY-HIFRSBDPSA-N 2 1 245.370 1.916 20 0 BDADMP CCCC[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000348080874 136034304 /nfs/dbraw/zinc/03/43/04/136034304.db2.gz NGWXKVHZGYPDON-CYBMUJFWSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000348152233 136039622 /nfs/dbraw/zinc/03/96/22/136039622.db2.gz BJZBRVIRAMHDRS-XFWSIPNHSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000348152233 136039623 /nfs/dbraw/zinc/03/96/23/136039623.db2.gz BJZBRVIRAMHDRS-XFWSIPNHSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)F ZINC000348152230 136040023 /nfs/dbraw/zinc/04/00/23/136040023.db2.gz BJZBRVIRAMHDRS-DOLQZWNJSA-N 2 1 218.291 1.570 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)F ZINC000348152230 136040024 /nfs/dbraw/zinc/04/00/24/136040024.db2.gz BJZBRVIRAMHDRS-DOLQZWNJSA-N 2 1 218.291 1.570 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348175057 136042670 /nfs/dbraw/zinc/04/26/70/136042670.db2.gz YGUXYFXLJLYQCF-OLZOCXBDSA-N 2 1 237.347 1.332 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC000348332802 136075405 /nfs/dbraw/zinc/07/54/05/136075405.db2.gz XPFSWJDZIAQQJI-DGCLKSJQSA-N 2 1 244.354 1.577 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000335397027 136093080 /nfs/dbraw/zinc/09/30/80/136093080.db2.gz RNYFSJFAWABKDC-TXEJJXNPSA-N 2 1 235.331 1.414 20 0 BDADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH3+])[C@H](C)C2 ZINC000335564595 136107019 /nfs/dbraw/zinc/10/70/19/136107019.db2.gz LAYZAJOQQCSVHR-ZWNOBZJWSA-N 2 1 204.317 1.777 20 0 BDADMP CSCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335571589 136109993 /nfs/dbraw/zinc/10/99/93/136109993.db2.gz MKXMYUDVHFZZHI-LLVKDONJSA-N 2 1 214.378 1.377 20 0 BDADMP CSCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571589 136109994 /nfs/dbraw/zinc/10/99/94/136109994.db2.gz MKXMYUDVHFZZHI-LLVKDONJSA-N 2 1 214.378 1.377 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000367048032 136113087 /nfs/dbraw/zinc/11/30/87/136113087.db2.gz PWBBXFPYRDWJTP-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367048032 136113088 /nfs/dbraw/zinc/11/30/88/136113088.db2.gz PWBBXFPYRDWJTP-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367048032 136113089 /nfs/dbraw/zinc/11/30/89/136113089.db2.gz PWBBXFPYRDWJTP-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000367048032 136113090 /nfs/dbraw/zinc/11/30/90/136113090.db2.gz PWBBXFPYRDWJTP-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000367048032 136113091 /nfs/dbraw/zinc/11/30/91/136113091.db2.gz PWBBXFPYRDWJTP-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H](CF)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000389903351 397997897 /nfs/dbraw/zinc/99/78/97/397997897.db2.gz FNVFFDMUBYGLJA-JTQLQIEISA-N 2 1 214.328 1.808 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(F)F ZINC000389930653 397998679 /nfs/dbraw/zinc/99/86/79/397998679.db2.gz ZYPPZCNHBZJHKL-DTWKUNHWSA-N 2 1 220.307 1.960 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)C[C@@H]1CCC[NH+]1C ZINC000649631693 398013653 /nfs/dbraw/zinc/01/36/53/398013653.db2.gz JQICBAPNVRHUMC-BETUJISGSA-N 2 1 225.380 1.107 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)C[C@@H]1CCC[N@@H+]1C ZINC000649631693 398013656 /nfs/dbraw/zinc/01/36/56/398013656.db2.gz JQICBAPNVRHUMC-BETUJISGSA-N 2 1 225.380 1.107 20 0 BDADMP CN(C[C@H]1CCC[NH+]1C)C[C@@H]1CCC[N@H+]1C ZINC000649631693 398013657 /nfs/dbraw/zinc/01/36/57/398013657.db2.gz JQICBAPNVRHUMC-BETUJISGSA-N 2 1 225.380 1.107 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000414689080 398018918 /nfs/dbraw/zinc/01/89/18/398018918.db2.gz FOCJDYAKEQMXSO-CYBMUJFWSA-N 2 1 219.332 1.522 20 0 BDADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)CC[C@@H]1C ZINC000414690017 398019933 /nfs/dbraw/zinc/01/99/33/398019933.db2.gz HFLVHVMSLWPQMG-QWHCGFSZSA-N 2 1 227.396 1.386 20 0 BDADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CC[NH2+]C1 ZINC000382753124 397972332 /nfs/dbraw/zinc/97/23/32/397972332.db2.gz IYBGZFSBZMPRGT-KBPBESRZSA-N 3 1 239.407 1.402 20 0 BDADMP COCc1ccc(C[N@H+](C)CCC[NH3+])o1 ZINC000382730698 397976798 /nfs/dbraw/zinc/97/67/98/397976798.db2.gz KHGYVKRKPBUXMU-UHFFFAOYSA-N 2 1 212.293 1.207 20 0 BDADMP COCc1ccc(C[N@@H+](C)CCC[NH3+])o1 ZINC000382730698 397976803 /nfs/dbraw/zinc/97/68/03/397976803.db2.gz KHGYVKRKPBUXMU-UHFFFAOYSA-N 2 1 212.293 1.207 20 0 BDADMP C[C@H](C[N@H+]1CCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000389323122 398074043 /nfs/dbraw/zinc/07/40/43/398074043.db2.gz CYCNEVRSLBAATJ-GHMZBOCLSA-N 2 1 214.353 1.328 20 0 BDADMP CC[C@@H]1C[N@@H+](CCn2ccnc2)[C@H](C)CO1 ZINC000649735844 398076386 /nfs/dbraw/zinc/07/63/86/398076386.db2.gz RLTSWWFPTYYGHD-VXGBXAGGSA-N 2 1 223.320 1.382 20 0 BDADMP CC[C@@H]1CN(CCn2ccnc2)[C@H](C)CO1 ZINC000649735844 398076388 /nfs/dbraw/zinc/07/63/88/398076388.db2.gz RLTSWWFPTYYGHD-VXGBXAGGSA-N 2 1 223.320 1.382 20 0 BDADMP CC[N@@H+](CCn1ccnc1C)[C@H]1CCCOC1 ZINC000649755694 398086520 /nfs/dbraw/zinc/08/65/20/398086520.db2.gz VCGBPXRKAZDNHI-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000649755694 398086524 /nfs/dbraw/zinc/08/65/24/398086524.db2.gz VCGBPXRKAZDNHI-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000649755694 398086527 /nfs/dbraw/zinc/08/65/27/398086527.db2.gz VCGBPXRKAZDNHI-ZDUSSCGKSA-N 2 1 237.347 1.692 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCOC1 ZINC000649755867 398087174 /nfs/dbraw/zinc/08/71/74/398087174.db2.gz ZTPSSDOQJDDDEZ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCOC1 ZINC000649755867 398087178 /nfs/dbraw/zinc/08/71/78/398087178.db2.gz ZTPSSDOQJDDDEZ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000649755867 398087182 /nfs/dbraw/zinc/08/71/82/398087182.db2.gz ZTPSSDOQJDDDEZ-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000245906138 398118796 /nfs/dbraw/zinc/11/87/96/398118796.db2.gz BAVRBHCOWLQPJT-HZSPNIEDSA-N 2 1 238.375 1.772 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245907603 398119500 /nfs/dbraw/zinc/11/95/00/398119500.db2.gz BKWOOHWOWJEPAX-OLZOCXBDSA-N 2 1 240.391 1.754 20 0 BDADMP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000258801008 322876168 /nfs/dbraw/zinc/87/61/68/322876168.db2.gz CECKVSZIMPOKOY-OLZOCXBDSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(C)(C)C)CCO1 ZINC000169121473 487559749 /nfs/dbraw/zinc/55/97/49/487559749.db2.gz SZDNQBSAPWAACK-QWRGUYRKSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(C)(C)C)CCO1 ZINC000169121473 487559754 /nfs/dbraw/zinc/55/97/54/487559754.db2.gz SZDNQBSAPWAACK-QWRGUYRKSA-N 2 1 214.353 1.471 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000383099282 487586449 /nfs/dbraw/zinc/58/64/49/487586449.db2.gz ZOELDUUMQACSGO-CRWXNKLISA-N 2 1 240.391 1.597 20 0 BDADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc2n1CCC2 ZINC000667495396 487594084 /nfs/dbraw/zinc/59/40/84/487594084.db2.gz HOOGBCCKAZFNFJ-QYJAPNMZSA-N 2 1 247.342 1.317 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662265863 409565620 /nfs/dbraw/zinc/56/56/20/409565620.db2.gz JGGAWVQUMNDPHF-WCFLWFBJSA-N 2 1 249.358 1.796 20 0 BDADMP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])nc(C)n1 ZINC000662247636 409545152 /nfs/dbraw/zinc/54/51/52/409545152.db2.gz HJVSRYJLEYDWMJ-UHFFFAOYSA-N 2 1 236.363 1.510 20 0 BDADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])nc(C)n1 ZINC000662247636 409545164 /nfs/dbraw/zinc/54/51/64/409545164.db2.gz HJVSRYJLEYDWMJ-UHFFFAOYSA-N 2 1 236.363 1.510 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CC=CC2)CCO1 ZINC000662247928 409546462 /nfs/dbraw/zinc/54/64/62/409546462.db2.gz OUOXKPVYQXGOKF-PWSUYJOCSA-N 2 1 210.321 1.001 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CC=CC2)CCO1 ZINC000662247928 409546470 /nfs/dbraw/zinc/54/64/70/409546470.db2.gz OUOXKPVYQXGOKF-PWSUYJOCSA-N 2 1 210.321 1.001 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253735 409552423 /nfs/dbraw/zinc/55/24/23/409552423.db2.gz CAMVOEVSNSBECC-JHJVBQTASA-N 2 1 238.375 1.628 20 0 BDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCF)CCO1 ZINC000662324850 409639153 /nfs/dbraw/zinc/63/91/53/409639153.db2.gz ZDGJBWIJYCOJMF-CYBMUJFWSA-N 2 1 246.370 1.779 20 0 BDADMP C1=CCC(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000662276424 409588943 /nfs/dbraw/zinc/58/89/43/409588943.db2.gz MMAWBWSWTWUAAM-STQMWFEESA-N 2 1 206.333 1.636 20 0 BDADMP C1=CCC(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000662276420 409590075 /nfs/dbraw/zinc/59/00/75/409590075.db2.gz MMAWBWSWTWUAAM-OLZOCXBDSA-N 2 1 206.333 1.636 20 0 BDADMP CC(C)=CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662277479 409593590 /nfs/dbraw/zinc/59/35/90/409593590.db2.gz VFJDVQNBMKEIJG-AWEZNQCLSA-N 2 1 237.391 1.322 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000662283357 409610597 /nfs/dbraw/zinc/61/05/97/409610597.db2.gz MQKBPPKRMGNNOY-FOGDFJRCSA-N 2 1 237.347 1.788 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000662283357 409610606 /nfs/dbraw/zinc/61/06/06/409610606.db2.gz MQKBPPKRMGNNOY-FOGDFJRCSA-N 2 1 237.347 1.788 20 0 BDADMP Cc1nocc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000662283359 409611587 /nfs/dbraw/zinc/61/15/87/409611587.db2.gz MQKBPPKRMGNNOY-SCVCMEIPSA-N 2 1 237.347 1.788 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000662283359 409611592 /nfs/dbraw/zinc/61/15/92/409611592.db2.gz MQKBPPKRMGNNOY-SCVCMEIPSA-N 2 1 237.347 1.788 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H]1CC1(C)C)C1CC1 ZINC000662345458 409661556 /nfs/dbraw/zinc/66/15/56/409661556.db2.gz YRNSSGHNXZLNKG-YPMHNXCESA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H]1CC1(C)C)C1CC1 ZINC000662345458 409661567 /nfs/dbraw/zinc/66/15/67/409661567.db2.gz YRNSSGHNXZLNKG-YPMHNXCESA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CC1(C)C ZINC000662345458 409661574 /nfs/dbraw/zinc/66/15/74/409661574.db2.gz YRNSSGHNXZLNKG-YPMHNXCESA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CC1(C)C ZINC000662345458 409661583 /nfs/dbraw/zinc/66/15/83/409661583.db2.gz YRNSSGHNXZLNKG-YPMHNXCESA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000227203649 487613466 /nfs/dbraw/zinc/61/34/66/487613466.db2.gz QWRSHKNHSUROPM-GARJFASQSA-N 2 1 220.320 1.207 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000227203649 487613470 /nfs/dbraw/zinc/61/34/70/487613470.db2.gz QWRSHKNHSUROPM-GARJFASQSA-N 2 1 220.320 1.207 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]([NH3+])C(C)C ZINC000653176039 410153421 /nfs/dbraw/zinc/15/34/21/410153421.db2.gz IPXTXLOUUJXGHL-GFCCVEGCSA-N 2 1 243.395 1.064 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=O)CC[C@H](C)[NH3+] ZINC000653176623 410152265 /nfs/dbraw/zinc/15/22/65/410152265.db2.gz ZTXWYNKWNMTOGZ-LBPRGKRZSA-N 2 1 243.395 1.208 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000663501599 410277510 /nfs/dbraw/zinc/27/75/10/410277510.db2.gz ABGLBLSBAJOEGJ-FRRDWIJNSA-N 3 1 227.396 1.480 20 0 BDADMP CCCC[C@@H](COC)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663500966 410277584 /nfs/dbraw/zinc/27/75/84/410277584.db2.gz QRIYPCAJWPIEHH-CPCZMJQVSA-N 2 1 226.364 1.533 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CNc3ccccc3C2)CC1 ZINC000650716137 410353609 /nfs/dbraw/zinc/35/36/09/410353609.db2.gz SLWZOUSKETWSGK-AWEZNQCLSA-N 2 1 245.370 1.707 20 0 BDADMP FC1(F)C[C@]12CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000650725325 410363915 /nfs/dbraw/zinc/36/39/15/410363915.db2.gz YJTIKALRTMHOKO-MNOVXSKESA-N 2 1 230.302 1.717 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000650739963 410371687 /nfs/dbraw/zinc/37/16/87/410371687.db2.gz CQNXRJFCWNLSTL-ZIAGYGMSSA-N 2 1 241.423 1.694 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000650740729 410375539 /nfs/dbraw/zinc/37/55/39/410375539.db2.gz PIVPCNOKKQGYGI-STQMWFEESA-N 2 1 229.412 1.680 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000650740729 410375545 /nfs/dbraw/zinc/37/55/45/410375545.db2.gz PIVPCNOKKQGYGI-STQMWFEESA-N 3 1 229.412 1.680 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000650740729 410375554 /nfs/dbraw/zinc/37/55/54/410375554.db2.gz PIVPCNOKKQGYGI-STQMWFEESA-N 3 1 229.412 1.680 20 0 BDADMP [NH3+]CC1(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000650747713 410387290 /nfs/dbraw/zinc/38/72/90/410387290.db2.gz GFWRFWMGVIBOIO-UHFFFAOYSA-N 3 1 237.391 1.332 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000133882238 410610600 /nfs/dbraw/zinc/61/06/00/410610600.db2.gz QIUDWHZECUGZQK-AGIUHOORSA-N 2 1 208.349 1.860 20 0 BDADMP CC1([NH3+])CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000647531225 410636770 /nfs/dbraw/zinc/63/67/70/410636770.db2.gz ICOILKHCQMQGMX-UHFFFAOYSA-N 2 1 246.354 1.935 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000665273839 410744267 /nfs/dbraw/zinc/74/42/67/410744267.db2.gz FLIVTRNSRDDYQT-TUAOUCFPSA-N 2 1 213.369 1.186 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000665273839 410744271 /nfs/dbraw/zinc/74/42/71/410744271.db2.gz FLIVTRNSRDDYQT-TUAOUCFPSA-N 2 1 213.369 1.186 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000309291097 410745312 /nfs/dbraw/zinc/74/53/12/410745312.db2.gz VTIQGBDPMSYOGY-STQMWFEESA-N 2 1 230.396 1.664 20 0 BDADMP CC(C)[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309291097 410745314 /nfs/dbraw/zinc/74/53/14/410745314.db2.gz VTIQGBDPMSYOGY-STQMWFEESA-N 2 1 230.396 1.664 20 0 BDADMP CC(C)[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309291097 410745320 /nfs/dbraw/zinc/74/53/20/410745320.db2.gz VTIQGBDPMSYOGY-STQMWFEESA-N 2 1 230.396 1.664 20 0 BDADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000338284549 169772282 /nfs/dbraw/zinc/77/22/82/169772282.db2.gz QYLHTCMTYPCQLH-KBPBESRZSA-N 2 1 241.423 1.743 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000309300774 410748635 /nfs/dbraw/zinc/74/86/35/410748635.db2.gz YFGNPWYWPGUZRD-AVGNSLFASA-N 2 1 228.380 1.277 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000309300774 410748639 /nfs/dbraw/zinc/74/86/39/410748639.db2.gz YFGNPWYWPGUZRD-AVGNSLFASA-N 2 1 228.380 1.277 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396470018 410886295 /nfs/dbraw/zinc/88/62/95/410886295.db2.gz WPGDDYQJBCCBNW-AAEUAGOBSA-N 3 1 225.380 1.058 20 0 BDADMP CC(C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000053659756 167099575 /nfs/dbraw/zinc/09/95/75/167099575.db2.gz QPKKZCHUYDMPCV-UHFFFAOYSA-N 2 1 227.396 1.258 20 0 BDADMP CC(C)OCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000336682457 167228833 /nfs/dbraw/zinc/22/88/33/167228833.db2.gz RTEDTWWFVGYPLE-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC(C)OCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000336682457 167228837 /nfs/dbraw/zinc/22/88/37/167228837.db2.gz RTEDTWWFVGYPLE-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC(C)OCC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000221456474 167232020 /nfs/dbraw/zinc/23/20/20/167232020.db2.gz CULHHMXYUNBEGK-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000221456474 167232022 /nfs/dbraw/zinc/23/20/22/167232022.db2.gz CULHHMXYUNBEGK-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122347389 167236661 /nfs/dbraw/zinc/23/66/61/167236661.db2.gz LHPYLYUZHBXRHI-MNOVXSKESA-N 2 1 200.326 1.081 20 0 BDADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000397245638 410918299 /nfs/dbraw/zinc/91/82/99/410918299.db2.gz NKVQQQGACJUOIW-NWDGAFQWSA-N 2 1 212.337 1.143 20 0 BDADMP CCc1cc(NCC2([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000397918051 410937784 /nfs/dbraw/zinc/93/77/84/410937784.db2.gz FSDPVGATJQJECY-UHFFFAOYSA-N 2 1 234.347 1.275 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000042425531 411002747 /nfs/dbraw/zinc/00/27/47/411002747.db2.gz SYSLCEUOTBKLJA-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000651865712 411147876 /nfs/dbraw/zinc/14/78/76/411147876.db2.gz FMLKVAFEARLMQW-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661626312 411092443 /nfs/dbraw/zinc/09/24/43/411092443.db2.gz NWZIVPBIDVSJFB-WDNDVIMCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000653779839 411168772 /nfs/dbraw/zinc/16/87/72/411168772.db2.gz FVTLEFXBUZLBST-MNOVXSKESA-N 2 1 248.317 1.030 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000653779839 411168774 /nfs/dbraw/zinc/16/87/74/411168774.db2.gz FVTLEFXBUZLBST-MNOVXSKESA-N 2 1 248.317 1.030 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653779839 411168776 /nfs/dbraw/zinc/16/87/76/411168776.db2.gz FVTLEFXBUZLBST-MNOVXSKESA-N 2 1 248.317 1.030 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653779839 411168779 /nfs/dbraw/zinc/16/87/79/411168779.db2.gz FVTLEFXBUZLBST-MNOVXSKESA-N 2 1 248.317 1.030 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657937652 411173483 /nfs/dbraw/zinc/17/34/83/411173483.db2.gz KBMKAFTUCXYMJP-CYBMUJFWSA-N 2 1 236.359 1.550 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC2)C[C@H](C)O1 ZINC000655754891 411183999 /nfs/dbraw/zinc/18/39/99/411183999.db2.gz XJYOMMUDDCPFLA-CLLJXQQHSA-N 2 1 226.364 1.628 20 0 BDADMP C(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCC1 ZINC000655754068 411184216 /nfs/dbraw/zinc/18/42/16/411184216.db2.gz LAPHFZGUIYGJOL-KBPBESRZSA-N 2 1 237.391 1.299 20 0 BDADMP C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CN1CCC1 ZINC000655754068 411184218 /nfs/dbraw/zinc/18/42/18/411184218.db2.gz LAPHFZGUIYGJOL-KBPBESRZSA-N 2 1 237.391 1.299 20 0 BDADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CN1CCC1 ZINC000655754068 411184223 /nfs/dbraw/zinc/18/42/23/411184223.db2.gz LAPHFZGUIYGJOL-KBPBESRZSA-N 2 1 237.391 1.299 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000652286169 411188026 /nfs/dbraw/zinc/18/80/26/411188026.db2.gz OQKHXMUZEDKJMZ-DYEKYZERSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000652286169 411188029 /nfs/dbraw/zinc/18/80/29/411188029.db2.gz OQKHXMUZEDKJMZ-DYEKYZERSA-N 2 1 240.391 1.874 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCn2nccc21 ZINC000657982469 411188461 /nfs/dbraw/zinc/18/84/61/411188461.db2.gz MCLUWIQTIWJJCU-LBPRGKRZSA-N 2 1 245.330 1.284 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000656194211 411199746 /nfs/dbraw/zinc/19/97/46/411199746.db2.gz DTIKEXNADARRQC-WOPDTQHZSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2COC[C@]2(C)C1 ZINC000661701985 411201236 /nfs/dbraw/zinc/20/12/36/411201236.db2.gz UFLMNFJFECZFSC-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661701985 411201238 /nfs/dbraw/zinc/20/12/38/411201238.db2.gz UFLMNFJFECZFSC-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661701985 411201240 /nfs/dbraw/zinc/20/12/40/411201240.db2.gz UFLMNFJFECZFSC-MJBXVCDLSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCCO1 ZINC000061934602 411202011 /nfs/dbraw/zinc/20/20/11/411202011.db2.gz OXHREIFVEHGETK-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000656197373 411203288 /nfs/dbraw/zinc/20/32/88/411203288.db2.gz DCVJUIJKSHSDFB-MGPQQGTHSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(CC3CC3)C2)C1 ZINC000656197373 411203289 /nfs/dbraw/zinc/20/32/89/411203289.db2.gz DCVJUIJKSHSDFB-MGPQQGTHSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1c[nH+]ccc1N ZINC000656199741 411204035 /nfs/dbraw/zinc/20/40/35/411204035.db2.gz BTWCENSWYDFZFS-UTUOFQBUSA-N 3 1 248.374 1.485 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)[C@H]1CC[NH3+] ZINC000652355988 411214429 /nfs/dbraw/zinc/21/44/29/411214429.db2.gz ORGBXZSNNQZVMK-AAEUAGOBSA-N 2 1 248.374 1.443 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1(C)CC1 ZINC000310226849 411226941 /nfs/dbraw/zinc/22/69/41/411226941.db2.gz GXBCTAHBSTYIQL-QWHCGFSZSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000310226849 411226943 /nfs/dbraw/zinc/22/69/43/411226943.db2.gz GXBCTAHBSTYIQL-QWHCGFSZSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000310226849 411226945 /nfs/dbraw/zinc/22/69/45/411226945.db2.gz GXBCTAHBSTYIQL-QWHCGFSZSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422884898 411233153 /nfs/dbraw/zinc/23/31/53/411233153.db2.gz FVDZGMWWIFECDP-RQJABVFESA-N 2 1 239.407 1.719 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422883832 411233270 /nfs/dbraw/zinc/23/32/70/411233270.db2.gz VRFNWXHDOFNGTP-ZIAGYGMSSA-N 2 1 241.423 1.966 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422976200 411235402 /nfs/dbraw/zinc/23/54/02/411235402.db2.gz IBKPEEDPPVZVBF-ILXRZTDVSA-N 2 1 248.370 1.970 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658088387 411239290 /nfs/dbraw/zinc/23/92/90/411239290.db2.gz TXMVZLPVUDRXBV-ZDUSSCGKSA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cccnc2C)CC[C@H]1[NH3+] ZINC000310516695 411239628 /nfs/dbraw/zinc/23/96/28/411239628.db2.gz RVPUPYLGXVEBJG-GXTWGEPZSA-N 2 1 233.359 1.949 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000314077720 411165306 /nfs/dbraw/zinc/16/53/06/411165306.db2.gz CYYBYVIUJXOKIE-VXGBXAGGSA-N 2 1 237.347 1.102 20 0 BDADMP CC(C)CCC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000165270747 411167836 /nfs/dbraw/zinc/16/78/36/411167836.db2.gz OWDKQKKIKNWBFC-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)CCC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000165270747 411167842 /nfs/dbraw/zinc/16/78/42/411167842.db2.gz OWDKQKKIKNWBFC-ZIAGYGMSSA-N 2 1 240.391 1.875 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@H]1CC[NH2+]C1 ZINC000309838531 411267913 /nfs/dbraw/zinc/26/79/13/411267913.db2.gz NAQRBEWVMMXZCZ-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000402581430 411267998 /nfs/dbraw/zinc/26/79/98/411267998.db2.gz DINFFFOYERPJSL-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000401659784 411274185 /nfs/dbraw/zinc/27/41/85/411274185.db2.gz WYUWDEBFKHJXMG-OCCSQVGLSA-N 2 1 248.370 1.825 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2(CO)CC2)[C@@H](C)C1 ZINC000658162422 411276235 /nfs/dbraw/zinc/27/62/35/411276235.db2.gz XJOFKCQGLSRNEP-XQQFMLRXSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)OC)[C@@H](C)C1 ZINC000658170725 411279838 /nfs/dbraw/zinc/27/98/38/411279838.db2.gz MVYMPXPVNGPWEO-SDDRHHMPSA-N 2 1 214.353 1.341 20 0 BDADMP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000310782116 411285169 /nfs/dbraw/zinc/28/51/69/411285169.db2.gz RWEIVPYMIDFOCC-KBPBESRZSA-N 2 1 248.374 1.023 20 0 BDADMP C[NH+](C)C[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000161853934 411294977 /nfs/dbraw/zinc/29/49/77/411294977.db2.gz BJZWGFXSYLGRSE-KGLIPLIRSA-N 2 1 239.407 1.354 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000658256824 411317079 /nfs/dbraw/zinc/31/70/79/411317079.db2.gz WCHKASFYHQFHAI-OLZOCXBDSA-N 2 1 238.375 1.364 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC12CCCC2 ZINC000656700487 411325417 /nfs/dbraw/zinc/32/54/17/411325417.db2.gz PCDBYWHRXLPIIY-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC12CCCC2 ZINC000656700487 411325419 /nfs/dbraw/zinc/32/54/19/411325419.db2.gz PCDBYWHRXLPIIY-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC12CCCC2 ZINC000656700487 411325420 /nfs/dbraw/zinc/32/54/20/411325420.db2.gz PCDBYWHRXLPIIY-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC12CCCC2 ZINC000656700487 411325424 /nfs/dbraw/zinc/32/54/24/411325424.db2.gz PCDBYWHRXLPIIY-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655699441 411249584 /nfs/dbraw/zinc/24/95/84/411249584.db2.gz ADFXKIRPQJSNCR-YRGRVCCFSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000660145529 411260917 /nfs/dbraw/zinc/26/09/17/411260917.db2.gz XFOIVUOPMHSMKQ-CYBMUJFWSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784163 411361850 /nfs/dbraw/zinc/36/18/50/411361850.db2.gz ZEGGCLIMTIXWHR-ZDUSSCGKSA-N 3 1 239.407 1.435 20 0 BDADMP CC(C)([NH3+])CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784163 411361852 /nfs/dbraw/zinc/36/18/52/411361852.db2.gz ZEGGCLIMTIXWHR-ZDUSSCGKSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@]1(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)CC[NH2+]C1 ZINC000656787231 411365707 /nfs/dbraw/zinc/36/57/07/411365707.db2.gz HPVJNCCCVBEUMJ-MCIONIFRSA-N 2 1 238.375 1.344 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787053 411365994 /nfs/dbraw/zinc/36/59/94/411365994.db2.gz SFMQTNRGCZTGJP-ZDUSSCGKSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1nn(C)cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788283 411366972 /nfs/dbraw/zinc/36/69/72/411366972.db2.gz HTPMNAWPMMBIBP-UHFFFAOYSA-N 2 1 222.336 1.090 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788002 411367713 /nfs/dbraw/zinc/36/77/13/411367713.db2.gz FXDAPONAJADTMU-TXEJJXNPSA-N 2 1 212.337 1.082 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000656788053 411368101 /nfs/dbraw/zinc/36/81/01/411368101.db2.gz NEOTYQUVIMYQBF-GRYCIOLGSA-N 2 1 212.337 1.142 20 0 BDADMP C[N@@H+](CC1=CCCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000656791055 411369998 /nfs/dbraw/zinc/36/99/98/411369998.db2.gz RLTWXRUTDXLAEH-CYBMUJFWSA-N 2 1 224.348 1.265 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000656791611 411370487 /nfs/dbraw/zinc/37/04/87/411370487.db2.gz IINJFQVVANAQJC-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2=CCCOC2)CC[NH2+]1 ZINC000656791229 411371158 /nfs/dbraw/zinc/37/11/58/411371158.db2.gz XBCCRABWGINIBG-OLZOCXBDSA-N 2 1 238.375 1.653 20 0 BDADMP C[N@H+](CC1=CCCOC1)CC1CC[NH2+]CC1 ZINC000656790653 411371284 /nfs/dbraw/zinc/37/12/84/411371284.db2.gz HGHWJNKXTGOOTK-UHFFFAOYSA-N 2 1 224.348 1.265 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000656791752 411371718 /nfs/dbraw/zinc/37/17/18/411371718.db2.gz JLLXGYOPYRHAKJ-AVGNSLFASA-N 2 1 226.364 1.328 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000656711503 411337190 /nfs/dbraw/zinc/33/71/90/411337190.db2.gz STXQZEUCGSDJGG-WDEREUQCSA-N 2 1 248.317 1.076 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000656711503 411337195 /nfs/dbraw/zinc/33/71/95/411337195.db2.gz STXQZEUCGSDJGG-WDEREUQCSA-N 2 1 248.317 1.076 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)CC[N@H+]1C ZINC000658330415 411338580 /nfs/dbraw/zinc/33/85/80/411338580.db2.gz JGPXGNFKBMKDHN-FRRDWIJNSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000656792559 411372173 /nfs/dbraw/zinc/37/21/73/411372173.db2.gz SLSVAKBJOWJDEM-FRRDWIJNSA-N 2 1 228.380 1.859 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000656792559 411372175 /nfs/dbraw/zinc/37/21/75/411372175.db2.gz SLSVAKBJOWJDEM-FRRDWIJNSA-N 2 1 228.380 1.859 20 0 BDADMP C[C@H](O)CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665078 411376873 /nfs/dbraw/zinc/37/68/73/411376873.db2.gz TZMVRWAJJYYAOP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665078 411376880 /nfs/dbraw/zinc/37/68/80/411376880.db2.gz TZMVRWAJJYYAOP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)CCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665078 411376886 /nfs/dbraw/zinc/37/68/86/411376886.db2.gz TZMVRWAJJYYAOP-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C(CC1CC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655730482 411374996 /nfs/dbraw/zinc/37/49/96/411374996.db2.gz KEJGYBYDRPDIGK-AWEZNQCLSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662434 411376025 /nfs/dbraw/zinc/37/60/25/411376025.db2.gz KDQUBGKKSSUHEG-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662434 411376028 /nfs/dbraw/zinc/37/60/28/411376028.db2.gz KDQUBGKKSSUHEG-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP CC(C)[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662434 411376032 /nfs/dbraw/zinc/37/60/32/411376032.db2.gz KDQUBGKKSSUHEG-UONOGXRCSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CCCN1CCC(C)CC1 ZINC000336704504 168179126 /nfs/dbraw/zinc/17/91/26/168179126.db2.gz KRDQYGUUNDAUGL-AWEZNQCLSA-N 2 1 241.423 1.825 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404360394 411391709 /nfs/dbraw/zinc/39/17/09/411391709.db2.gz DYDWUVATLQFHTA-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cncn2C)[C@H]1CC[NH3+] ZINC000404374589 411392380 /nfs/dbraw/zinc/39/23/80/411392380.db2.gz KGNJQJPGCHRSSP-YPMHNXCESA-N 2 1 236.363 1.369 20 0 BDADMP COCCOCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404384918 411392738 /nfs/dbraw/zinc/39/27/38/411392738.db2.gz NWOVVTMSFZSPSD-CHWSQXEVSA-N 2 1 244.379 1.099 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])on1 ZINC000404376648 411392906 /nfs/dbraw/zinc/39/29/06/411392906.db2.gz KYNONUQTLKMFSZ-GXFFZTMASA-N 2 1 237.347 1.932 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404427703 411396761 /nfs/dbraw/zinc/39/67/61/411396761.db2.gz MRNCJLMHBREFJU-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C[NH3+] ZINC000405399031 411427067 /nfs/dbraw/zinc/42/70/67/411427067.db2.gz VHFNKWFIBYOPGC-VXGBXAGGSA-N 2 1 214.353 1.328 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1C[NH3+] ZINC000405644309 411437370 /nfs/dbraw/zinc/43/73/70/411437370.db2.gz DNQRWIICVWWEGQ-ZYHUDNBSSA-N 2 1 240.372 1.544 20 0 BDADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCC[NH3+] ZINC000414707655 411440700 /nfs/dbraw/zinc/44/07/00/411440700.db2.gz MZECKIKSLLHUOZ-BXUZGUMPSA-N 2 1 234.343 1.659 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000414707576 411440746 /nfs/dbraw/zinc/44/07/46/411440746.db2.gz IAVBJZRVQBKPPF-WOPDTQHZSA-N 2 1 214.353 1.063 20 0 BDADMP CC[N@@H+]1CCC[C@H]1CNCc1cnc2n1CCC2 ZINC000657291269 411451972 /nfs/dbraw/zinc/45/19/72/411451972.db2.gz WWNFMIVNZWDOEB-LBPRGKRZSA-N 2 1 248.374 1.403 20 0 BDADMP Cc1ccncc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292055379 411468707 /nfs/dbraw/zinc/46/87/07/411468707.db2.gz BXHPXXKLAQFCGF-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ccncc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292055379 411468709 /nfs/dbraw/zinc/46/87/09/411468709.db2.gz BXHPXXKLAQFCGF-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292055379 411468711 /nfs/dbraw/zinc/46/87/11/411468711.db2.gz BXHPXXKLAQFCGF-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292055379 411468712 /nfs/dbraw/zinc/46/87/12/411468712.db2.gz BXHPXXKLAQFCGF-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CO1 ZINC000657359451 411477130 /nfs/dbraw/zinc/47/71/30/411477130.db2.gz UUELGMMXDFEWIF-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP COCC1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000655821111 411526561 /nfs/dbraw/zinc/52/65/61/411526561.db2.gz RQCSFMVBHNSOSJ-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP CC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657483149 411528721 /nfs/dbraw/zinc/52/87/21/411528721.db2.gz KUFJLTWDULRXNI-ZGHZMMAESA-N 2 1 238.375 1.769 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](CC)C2)C1 ZINC000657327169 411466035 /nfs/dbraw/zinc/46/60/35/411466035.db2.gz ZCOLYUNJPWJDSC-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOC)C[C@H]1C ZINC000336684805 170009447 /nfs/dbraw/zinc/00/94/47/170009447.db2.gz UXGVMTUQIPDPDF-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOC)C[C@H]1C ZINC000336684805 170009448 /nfs/dbraw/zinc/00/94/48/170009448.db2.gz UXGVMTUQIPDPDF-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOC)C[C@H]1C ZINC000336684805 170009449 /nfs/dbraw/zinc/00/94/49/170009449.db2.gz UXGVMTUQIPDPDF-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000360412253 170010147 /nfs/dbraw/zinc/01/01/47/170010147.db2.gz GAANYNLLNBBEQI-UONOGXRCSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000309469009 170016843 /nfs/dbraw/zinc/01/68/43/170016843.db2.gz UARYFVHIBRTFGB-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250336070 170017172 /nfs/dbraw/zinc/01/71/72/170017172.db2.gz PCDXNGMZHSFLMM-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP CC[N@@H+]1CC[C@H](CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250336070 170017173 /nfs/dbraw/zinc/01/71/73/170017173.db2.gz PCDXNGMZHSFLMM-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250336070 170017174 /nfs/dbraw/zinc/01/71/74/170017174.db2.gz PCDXNGMZHSFLMM-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](C)O)[C@@H](C)C1 ZINC000336660721 170017896 /nfs/dbraw/zinc/01/78/96/170017896.db2.gz BCFLPVYLMXLEKT-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](C)O)[C@@H](C)C1 ZINC000336660721 170017898 /nfs/dbraw/zinc/01/78/98/170017898.db2.gz BCFLPVYLMXLEKT-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](C)O)[C@@H](C)C1 ZINC000336660721 170017899 /nfs/dbraw/zinc/01/78/99/170017899.db2.gz BCFLPVYLMXLEKT-XQQFMLRXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000336712194 170018821 /nfs/dbraw/zinc/01/88/21/170018821.db2.gz RPLOZQBBNNFJSL-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000336712194 170018822 /nfs/dbraw/zinc/01/88/22/170018822.db2.gz RPLOZQBBNNFJSL-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000336712194 170018823 /nfs/dbraw/zinc/01/88/23/170018823.db2.gz RPLOZQBBNNFJSL-IHRRRGAJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H](C)O)[C@H](C)C1 ZINC000309461597 170020920 /nfs/dbraw/zinc/02/09/20/170020920.db2.gz OBGCCFWPMVCBEQ-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)[C@@H](C)C1 ZINC000305116938 170021111 /nfs/dbraw/zinc/02/11/11/170021111.db2.gz IFGHALHEVMYNLQ-RFGFWPKPSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000305121221 170021115 /nfs/dbraw/zinc/02/11/15/170021115.db2.gz HEBDKSWVSAQXIV-MELADBBJSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)[C@@H](C)C1 ZINC000305099269 170021550 /nfs/dbraw/zinc/02/15/50/170021550.db2.gz AJKVUIMFBRTDHP-MELADBBJSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)[C@@H](C)C1 ZINC000309046048 170022393 /nfs/dbraw/zinc/02/23/93/170022393.db2.gz OQFIGDHGNIYTMK-TUAOUCFPSA-N 2 1 228.405 1.812 20 0 BDADMP CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000151377296 170114845 /nfs/dbraw/zinc/11/48/45/170114845.db2.gz URNOCCKZTSHEBL-CYBMUJFWSA-N 2 1 249.358 1.015 20 0 BDADMP C[NH+]1CCC(N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000657563689 411552466 /nfs/dbraw/zinc/55/24/66/411552466.db2.gz UDDYPJQOELPLTJ-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657620907 411566187 /nfs/dbraw/zinc/56/61/87/411566187.db2.gz SIUSUDKEISOSDJ-SRVKXCTJSA-N 2 1 212.337 1.238 20 0 BDADMP CCOC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199701 170219099 /nfs/dbraw/zinc/21/90/99/170219099.db2.gz LYKOEHSTNFPOOX-GFCCVEGCSA-N 2 1 240.347 1.014 20 0 BDADMP CCOC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000040926095 170332828 /nfs/dbraw/zinc/33/28/28/170332828.db2.gz PWYSSHWIOQKIEP-UHFFFAOYSA-N 2 1 200.326 1.225 20 0 BDADMP CCOCC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000309321457 170351406 /nfs/dbraw/zinc/35/14/06/170351406.db2.gz PIBJKHPFKRLDKI-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP CCOCC(C)(C)[NH2+]CCn1cc[nH+]c1C ZINC000293413320 170354500 /nfs/dbraw/zinc/35/45/00/170354500.db2.gz ZEPVJJANJXZHCH-UHFFFAOYSA-N 2 1 225.336 1.596 20 0 BDADMP CCOCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336673525 170388078 /nfs/dbraw/zinc/38/80/78/170388078.db2.gz KTVSRHBKQXMNHE-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000369736042 170398656 /nfs/dbraw/zinc/39/86/56/170398656.db2.gz LVDZANIPQRBFNA-GFCCVEGCSA-N 2 1 214.353 1.439 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000660781010 411629310 /nfs/dbraw/zinc/62/93/10/411629310.db2.gz QQRBBCCPPSYAPZ-MQYQWHSLSA-N 2 1 240.391 1.466 20 0 BDADMP COC[C@@H](C[N@H+](C)CCC[NH+]1CCCC1)OC ZINC000660463930 411589959 /nfs/dbraw/zinc/58/99/59/411589959.db2.gz JVBNJNJZEYPNHE-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COC[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)OC ZINC000660463930 411589960 /nfs/dbraw/zinc/58/99/60/411589960.db2.gz JVBNJNJZEYPNHE-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1(C)COC1)C2 ZINC000660660453 411614876 /nfs/dbraw/zinc/61/48/76/411614876.db2.gz VSHOCMIKNYZZKR-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1(C)COC1)C2 ZINC000660660453 411614878 /nfs/dbraw/zinc/61/48/78/411614878.db2.gz VSHOCMIKNYZZKR-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1(C)COC1)C2 ZINC000660660453 411614880 /nfs/dbraw/zinc/61/48/80/411614880.db2.gz VSHOCMIKNYZZKR-AWEZNQCLSA-N 2 1 238.375 1.441 20 0 BDADMP CO[C@H](C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665120 411615594 /nfs/dbraw/zinc/61/55/94/411615594.db2.gz UMBIYJKXVPAACV-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665120 411615595 /nfs/dbraw/zinc/61/55/95/411615595.db2.gz UMBIYJKXVPAACV-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665120 411615596 /nfs/dbraw/zinc/61/55/96/411615596.db2.gz UMBIYJKXVPAACV-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665123 411616055 /nfs/dbraw/zinc/61/60/55/411616055.db2.gz UMBIYJKXVPAACV-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665123 411616056 /nfs/dbraw/zinc/61/60/56/411616056.db2.gz UMBIYJKXVPAACV-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665123 411616057 /nfs/dbraw/zinc/61/60/57/411616057.db2.gz UMBIYJKXVPAACV-STQMWFEESA-N 2 1 226.364 1.439 20 0 BDADMP CCCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133311016 411706705 /nfs/dbraw/zinc/70/67/05/411706705.db2.gz WGAJKLGEYGMJEX-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CCCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133311016 411706708 /nfs/dbraw/zinc/70/67/08/411706708.db2.gz WGAJKLGEYGMJEX-MNOVXSKESA-N 2 1 200.326 1.225 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000660921207 411672101 /nfs/dbraw/zinc/67/21/01/411672101.db2.gz VBUSDWKNSHOXPO-CYBMUJFWSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH2+]Cc1ccccc1CNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496204 411676554 /nfs/dbraw/zinc/67/65/54/411676554.db2.gz DGOPKVNMVRHUNB-HUUCEWRRSA-N 2 1 245.370 1.105 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@]13C[C@H]1C[NH2+]C3)CC[NH2+]CC2 ZINC000663497190 411679450 /nfs/dbraw/zinc/67/94/50/411679450.db2.gz LGDJNSWINZORPG-VNHYZAJKSA-N 3 1 249.402 1.060 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000663498251 411681553 /nfs/dbraw/zinc/68/15/53/411681553.db2.gz NXDMDXKDDZTBPX-RJZJGCCBSA-N 2 1 237.391 1.058 20 0 BDADMP CC[N@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000663498248 411681713 /nfs/dbraw/zinc/68/17/13/411681713.db2.gz NXDMDXKDDZTBPX-AHPWVWPOSA-N 2 1 237.391 1.058 20 0 BDADMP Cc1cn[nH]c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502947 411688565 /nfs/dbraw/zinc/68/85/65/411688565.db2.gz JNRGTPHNSRDLAZ-SNVBAGLBSA-N 2 1 210.325 1.181 20 0 BDADMP Cc1c[nH]nc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502947 411688569 /nfs/dbraw/zinc/68/85/69/411688569.db2.gz JNRGTPHNSRDLAZ-SNVBAGLBSA-N 2 1 210.325 1.181 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000663511081 411691445 /nfs/dbraw/zinc/69/14/45/411691445.db2.gz VDZLKBIAKMMJBI-NEPJUHHUSA-N 2 1 236.359 1.824 20 0 BDADMP CCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153456 412008955 /nfs/dbraw/zinc/00/89/55/412008955.db2.gz BRSHFLIPFQKSNP-CYBMUJFWSA-N 2 1 226.364 1.318 20 0 BDADMP O[C@@H]1CC[N@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000662153748 412009178 /nfs/dbraw/zinc/00/91/78/412009178.db2.gz ULDBRDRRTVYQGS-CQSZACIVSA-N 2 1 238.375 1.460 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662215141 412027167 /nfs/dbraw/zinc/02/71/67/412027167.db2.gz GGADPBPRJKOIDX-STQMWFEESA-N 2 1 224.348 1.239 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ncn1 ZINC000662265704 412058975 /nfs/dbraw/zinc/05/89/75/412058975.db2.gz HZJWAGGTXXVQFN-UBHSHLNASA-N 2 1 246.358 1.344 20 0 BDADMP Cc1nnc([C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)[nH]1 ZINC000662246710 412043199 /nfs/dbraw/zinc/04/31/99/412043199.db2.gz QJJDKKBQFNQDRB-RKDXNWHRSA-N 2 1 237.351 1.233 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](OC)C1CCCC1 ZINC000662247403 412044177 /nfs/dbraw/zinc/04/41/77/412044177.db2.gz ZWBLCPQIODNCFR-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](OC)C1CCCC1 ZINC000662247403 412044180 /nfs/dbraw/zinc/04/41/80/412044180.db2.gz ZWBLCPQIODNCFR-UONOGXRCSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662247552 412045248 /nfs/dbraw/zinc/04/52/48/412045248.db2.gz XICWIYNTAGLARJ-RVMXOQNASA-N 2 1 208.349 1.574 20 0 BDADMP C[N@@H+](CCO[C@H]1CC1(F)F)CC(C)(C)C[NH3+] ZINC000662248266 412047766 /nfs/dbraw/zinc/04/77/66/412047766.db2.gz XNRPPQINDKVMJA-VIFPVBQESA-N 2 1 236.306 1.327 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250770 412049018 /nfs/dbraw/zinc/04/90/18/412049018.db2.gz NOXIQUQKTABHQS-STQMWFEESA-N 2 1 238.375 1.628 20 0 BDADMP CCCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662252232 412049228 /nfs/dbraw/zinc/04/92/28/412049228.db2.gz MXNKWVQXAIOFQN-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000662255349 412051420 /nfs/dbraw/zinc/05/14/20/412051420.db2.gz OSMFCFXVUMGXMX-FRRDWIJNSA-N 2 1 236.359 1.239 20 0 BDADMP CC[C@]1(C)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258695 412053341 /nfs/dbraw/zinc/05/33/41/412053341.db2.gz ZCDBKUDNOPYZGB-CHWSQXEVSA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@@H]21 ZINC000662258291 412053413 /nfs/dbraw/zinc/05/34/13/412053413.db2.gz VGOKSBNDRLQILG-SDDRHHMPSA-N 2 1 236.359 1.095 20 0 BDADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C1CCCC1 ZINC000662266429 412057375 /nfs/dbraw/zinc/05/73/75/412057375.db2.gz YZCZLOVVKCDGMO-OUCADQQQSA-N 2 1 240.391 1.861 20 0 BDADMP C[N@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278175 412071610 /nfs/dbraw/zinc/07/16/10/412071610.db2.gz XHODWEMRBVKLLT-CYBMUJFWSA-N 2 1 247.342 1.034 20 0 BDADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000246289068 171079132 /nfs/dbraw/zinc/07/91/32/171079132.db2.gz NDCNSUWVEIGFDW-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310523221 171127930 /nfs/dbraw/zinc/12/79/30/171127930.db2.gz VEMJETIDHNIXOD-SCRDCRAPSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310523221 171127931 /nfs/dbraw/zinc/12/79/31/171127931.db2.gz VEMJETIDHNIXOD-SCRDCRAPSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310523221 171127933 /nfs/dbraw/zinc/12/79/33/171127933.db2.gz VEMJETIDHNIXOD-SCRDCRAPSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310523221 171127935 /nfs/dbraw/zinc/12/79/35/171127935.db2.gz VEMJETIDHNIXOD-SCRDCRAPSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCO[C@H]1CC1(F)F ZINC000662277904 412069866 /nfs/dbraw/zinc/06/98/66/412069866.db2.gz TWUKGNZEIPJMCX-BDAKNGLRSA-N 2 1 236.306 1.374 20 0 BDADMP C[C@H]1CCCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279007 412070751 /nfs/dbraw/zinc/07/07/51/412070751.db2.gz DYEJXHZEOFTFDQ-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1CCCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662279008 412071446 /nfs/dbraw/zinc/07/14/46/412071446.db2.gz DYEJXHZEOFTFDQ-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCC2)CCCO1 ZINC000662281601 412072076 /nfs/dbraw/zinc/07/20/76/412072076.db2.gz OXMCVFOSGWLUNH-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283547 412074870 /nfs/dbraw/zinc/07/48/70/412074870.db2.gz AERHNJYWZYWMJE-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120485918 171272204 /nfs/dbraw/zinc/27/22/04/171272204.db2.gz WKCBODQILZNXLW-AWEZNQCLSA-N 2 1 241.423 1.602 20 0 BDADMP C[N@@H+](CCC(C)(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283548 412075734 /nfs/dbraw/zinc/07/57/34/412075734.db2.gz AERHNJYWZYWMJE-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP COCC1([N@@H+](C)CC[C@H]2CC[NH2+]C2)CC1 ZINC000662298502 412083244 /nfs/dbraw/zinc/08/32/44/412083244.db2.gz DNXYRBPTKAEEGX-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000662303108 412083338 /nfs/dbraw/zinc/08/33/38/412083338.db2.gz SPXMLBWJDPVAKO-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP COCC1([N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000662297090 412083999 /nfs/dbraw/zinc/08/39/99/412083999.db2.gz ACMDPYZOSVVNFC-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CCC[NH3+] ZINC000336707094 171308247 /nfs/dbraw/zinc/30/82/47/171308247.db2.gz RQNLHBWNTRNUCV-NEPJUHHUSA-N 3 1 215.385 1.434 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CCC[NH3+] ZINC000336707094 171308249 /nfs/dbraw/zinc/30/82/49/171308249.db2.gz RQNLHBWNTRNUCV-NEPJUHHUSA-N 3 1 215.385 1.434 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662302860 412084935 /nfs/dbraw/zinc/08/49/35/412084935.db2.gz OOXGVBJLEGGRDF-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)(O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294077 412080974 /nfs/dbraw/zinc/08/09/74/412080974.db2.gz OVAYWNRZQMWTRG-CYBMUJFWSA-N 2 1 240.391 1.469 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000662298564 412086266 /nfs/dbraw/zinc/08/62/66/412086266.db2.gz NRTDZEHXDVLNCH-AGIUHOORSA-N 2 1 224.348 1.239 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CCF)C1 ZINC000662311634 412094501 /nfs/dbraw/zinc/09/45/01/412094501.db2.gz VCLMSDPYQHMQCE-NSHDSACASA-N 2 1 202.317 1.668 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1=CCSC1 ZINC000662327077 412105232 /nfs/dbraw/zinc/10/52/32/412105232.db2.gz IGFYSUOQRBDRPX-LLVKDONJSA-N 2 1 226.389 1.591 20 0 BDADMP [NH3+]CCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328510 412105333 /nfs/dbraw/zinc/10/53/33/412105333.db2.gz RIYJTWWYLSZCEG-UHFFFAOYSA-N 2 1 216.328 1.956 20 0 BDADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000662332786 412105899 /nfs/dbraw/zinc/10/58/99/412105899.db2.gz XJBNUDGDBHHUOR-VXGBXAGGSA-N 2 1 210.365 1.964 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000662332783 412106296 /nfs/dbraw/zinc/10/62/96/412106296.db2.gz XJBNUDGDBHHUOR-NEPJUHHUSA-N 2 1 210.365 1.964 20 0 BDADMP Cc1ccncc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665239633 412179879 /nfs/dbraw/zinc/17/98/79/412179879.db2.gz WDSVPLIGGQBDDC-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C12CCC2 ZINC000665243146 412182239 /nfs/dbraw/zinc/18/22/39/412182239.db2.gz XUVFNLYPMKQYQT-TUAOUCFPSA-N 2 1 224.348 1.286 20 0 BDADMP CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665244707 412189831 /nfs/dbraw/zinc/18/98/31/412189831.db2.gz UILFMCRSMFRFIG-DCAQKATOSA-N 2 1 248.317 1.531 20 0 BDADMP [NH3+]C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000665248556 412194401 /nfs/dbraw/zinc/19/44/01/412194401.db2.gz ZDKHAGIQYFHNSX-STQMWFEESA-N 2 1 237.391 1.474 20 0 BDADMP C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)C1C[NH2+]C1 ZINC000665273847 412215312 /nfs/dbraw/zinc/21/53/12/412215312.db2.gz FOTGBVGAJUUKMV-JTQLQIEISA-N 2 1 248.374 1.385 20 0 BDADMP COCc1csc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000665263684 412206729 /nfs/dbraw/zinc/20/67/29/412206729.db2.gz RXIZEJJDDRZRQI-NEPJUHHUSA-N 2 1 240.372 1.864 20 0 BDADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000665265528 412209611 /nfs/dbraw/zinc/20/96/11/412209611.db2.gz XMJLQZLSIKMPNV-GFCCVEGCSA-N 2 1 248.374 1.529 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273865 412215810 /nfs/dbraw/zinc/21/58/10/412215810.db2.gz FVMIYVUEDBIGAR-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000665280881 412226396 /nfs/dbraw/zinc/22/63/96/412226396.db2.gz OAGJLXHBQIGJQP-BFHYXJOUSA-N 2 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000665280881 412226397 /nfs/dbraw/zinc/22/63/97/412226397.db2.gz OAGJLXHBQIGJQP-BFHYXJOUSA-N 3 1 239.407 1.576 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000665280881 412226401 /nfs/dbraw/zinc/22/64/01/412226401.db2.gz OAGJLXHBQIGJQP-BFHYXJOUSA-N 3 1 239.407 1.576 20 0 BDADMP CC[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402127 171620558 /nfs/dbraw/zinc/62/05/58/171620558.db2.gz FCTOATGQGAUGRG-VIFPVBQESA-N 2 1 238.335 1.638 20 0 BDADMP CC[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402127 171620560 /nfs/dbraw/zinc/62/05/60/171620560.db2.gz FCTOATGQGAUGRG-VIFPVBQESA-N 2 1 238.335 1.638 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCCF)c2ccccc21 ZINC000665299436 412247569 /nfs/dbraw/zinc/24/75/69/412247569.db2.gz NCMZLJVOLPWMDH-CHWSQXEVSA-N 2 1 238.306 1.707 20 0 BDADMP CCc1[nH+]ccn1CC[C@@H]1CCC[NH2+]C1 ZINC000051919927 172024344 /nfs/dbraw/zinc/02/43/44/172024344.db2.gz IQANJEBCCYHESP-NSHDSACASA-N 2 1 207.321 1.835 20 0 BDADMP CCc1[nH+]ccn1CCC1CC[NH2+]CC1 ZINC000034462425 172025925 /nfs/dbraw/zinc/02/59/25/172025925.db2.gz OZPDSSMSDZZIAY-UHFFFAOYSA-N 2 1 207.321 1.835 20 0 BDADMP CCc1nocc1C[N@@H+](C)CCCn1ccnc1 ZINC000339608510 172093536 /nfs/dbraw/zinc/09/35/36/172093536.db2.gz KLWRTCFPYNGUSW-UHFFFAOYSA-N 2 1 248.330 1.956 20 0 BDADMP CCc1nocc1CN(C)CCCn1ccnc1 ZINC000339608510 172093538 /nfs/dbraw/zinc/09/35/38/172093538.db2.gz KLWRTCFPYNGUSW-UHFFFAOYSA-N 2 1 248.330 1.956 20 0 BDADMP CCn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000271849923 172170562 /nfs/dbraw/zinc/17/05/62/172170562.db2.gz SPUXEHGGGIWAQW-UHFFFAOYSA-N 2 1 234.347 1.255 20 0 BDADMP CCn1nccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000160234168 172266031 /nfs/dbraw/zinc/26/60/31/172266031.db2.gz JKPKEOGDRXZAGT-LBPRGKRZSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1nccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000160234168 172266032 /nfs/dbraw/zinc/26/60/32/172266032.db2.gz JKPKEOGDRXZAGT-LBPRGKRZSA-N 2 1 236.363 1.606 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCc1ccccc1 ZINC000033978718 172696781 /nfs/dbraw/zinc/69/67/81/172696781.db2.gz VRZUDEZCBNNHSG-UHFFFAOYSA-N 2 1 206.333 1.900 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCc1ccncc1 ZINC000004226760 172697624 /nfs/dbraw/zinc/69/76/24/172697624.db2.gz MPTCHBHGNMUYME-UHFFFAOYSA-N 2 1 207.321 1.295 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cscn1 ZINC000051919465 172776888 /nfs/dbraw/zinc/77/68/88/172776888.db2.gz BFBPFBFCCDOMFR-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cscn1 ZINC000051919465 172776891 /nfs/dbraw/zinc/77/68/91/172776891.db2.gz BFBPFBFCCDOMFR-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccno3)C2)CC1 ZINC000367199188 173002947 /nfs/dbraw/zinc/00/29/47/173002947.db2.gz INZDUWVFGWWVFS-UHFFFAOYSA-N 2 1 249.358 1.982 20 0 BDADMP C[N@@H+](CCc1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842511 173042335 /nfs/dbraw/zinc/04/23/35/173042335.db2.gz SFVXJDLONWYDER-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842511 173042337 /nfs/dbraw/zinc/04/23/37/173042337.db2.gz SFVXJDLONWYDER-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP C[NH+](CCc1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842511 173042338 /nfs/dbraw/zinc/04/23/38/173042338.db2.gz SFVXJDLONWYDER-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(CC(C)(C)[NH3+])CC[C@H]21 ZINC000227339437 173059272 /nfs/dbraw/zinc/05/92/72/173059272.db2.gz QANFDHHARPRJOT-NWDGAFQWSA-N 2 1 225.380 1.140 20 0 BDADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000037484801 173115225 /nfs/dbraw/zinc/11/52/25/173115225.db2.gz SVQAENKFECCMCW-JTQLQIEISA-N 2 1 214.378 1.423 20 0 BDADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOCC3CC3)C2)C1 ZINC000336684177 173137898 /nfs/dbraw/zinc/13/78/98/173137898.db2.gz FOSDVWZTUWXGJK-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOCC3CC3)C2)C1 ZINC000336684177 173137900 /nfs/dbraw/zinc/13/79/00/173137900.db2.gz FOSDVWZTUWXGJK-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOCC3CC3)C2)C1 ZINC000336684177 173137901 /nfs/dbraw/zinc/13/79/01/173137901.db2.gz FOSDVWZTUWXGJK-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOCC3CC3)C2)C1 ZINC000336684177 173137904 /nfs/dbraw/zinc/13/79/04/173137904.db2.gz FOSDVWZTUWXGJK-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCC=CO3)C2)C1 ZINC000366478543 173142199 /nfs/dbraw/zinc/14/21/99/173142199.db2.gz FILJRSMAPIIFIJ-ZIAGYGMSSA-N 2 1 236.359 1.707 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCC=CO3)C2)C1 ZINC000366478543 173142202 /nfs/dbraw/zinc/14/22/02/173142202.db2.gz FILJRSMAPIIFIJ-ZIAGYGMSSA-N 2 1 236.359 1.707 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCC=CO3)C2)C1 ZINC000366478543 173142205 /nfs/dbraw/zinc/14/22/05/173142205.db2.gz FILJRSMAPIIFIJ-ZIAGYGMSSA-N 2 1 236.359 1.707 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CCO)C[C@H]1c1ccccc1 ZINC000340181240 173151472 /nfs/dbraw/zinc/15/14/72/173151472.db2.gz NTGRGKKFVPLZQY-KBPBESRZSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCO)C[C@H]1c1ccccc1 ZINC000340181240 173151475 /nfs/dbraw/zinc/15/14/75/173151475.db2.gz NTGRGKKFVPLZQY-KBPBESRZSA-N 2 1 234.343 1.404 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CCC(C)(C)O)[C@@H]2C1 ZINC000375249107 173160337 /nfs/dbraw/zinc/16/03/37/173160337.db2.gz OCNGKBFDMONUDM-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CCC(C)(C)O)[C@@H]2C1 ZINC000375249107 173160339 /nfs/dbraw/zinc/16/03/39/173160339.db2.gz OCNGKBFDMONUDM-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CCC(C)(C)O)[C@@H]2C1 ZINC000375249107 173160341 /nfs/dbraw/zinc/16/03/41/173160341.db2.gz OCNGKBFDMONUDM-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CCC(C)(C)O)[C@@H]2C1 ZINC000375249107 173160343 /nfs/dbraw/zinc/16/03/43/173160343.db2.gz OCNGKBFDMONUDM-NWDGAFQWSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000337426543 173164919 /nfs/dbraw/zinc/16/49/19/173164919.db2.gz SRSHZBFXRJGGGO-DGAVXFQQSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000337426543 173164920 /nfs/dbraw/zinc/16/49/20/173164920.db2.gz SRSHZBFXRJGGGO-DGAVXFQQSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000338008137 173165576 /nfs/dbraw/zinc/16/55/76/173165576.db2.gz BOJDJUJAECFTEB-RDBSUJKOSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000338008137 173165578 /nfs/dbraw/zinc/16/55/78/173165578.db2.gz BOJDJUJAECFTEB-RDBSUJKOSA-N 2 1 238.375 1.221 20 0 BDADMP Cn1cccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292835550 173167864 /nfs/dbraw/zinc/16/78/64/173167864.db2.gz RQZUPSDNGNLNAK-AWEZNQCLSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1cccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292835550 173167866 /nfs/dbraw/zinc/16/78/66/173167866.db2.gz RQZUPSDNGNLNAK-AWEZNQCLSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1cccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292835550 173167869 /nfs/dbraw/zinc/16/78/69/173167869.db2.gz RQZUPSDNGNLNAK-AWEZNQCLSA-N 2 1 233.359 1.553 20 0 BDADMP Cn1cccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292835550 173167870 /nfs/dbraw/zinc/16/78/70/173167870.db2.gz RQZUPSDNGNLNAK-AWEZNQCLSA-N 2 1 233.359 1.553 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2cscn2)CC1 ZINC000069730436 173342827 /nfs/dbraw/zinc/34/28/27/173342827.db2.gz ZKMXFJDWKQETQE-UHFFFAOYSA-N 2 1 239.388 1.965 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000161839143 173367724 /nfs/dbraw/zinc/36/77/24/173367724.db2.gz FLTNBNWBHYZKEP-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000161839143 173367725 /nfs/dbraw/zinc/36/77/25/173367725.db2.gz FLTNBNWBHYZKEP-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC000252682035 173369213 /nfs/dbraw/zinc/36/92/13/173369213.db2.gz BMBHQQQCSRGEHT-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnccc2C)C1 ZINC000135498719 173378621 /nfs/dbraw/zinc/37/86/21/173378621.db2.gz YMCGWTBVTZEHIN-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnccc2C)C1 ZINC000135498719 173378622 /nfs/dbraw/zinc/37/86/22/173378622.db2.gz YMCGWTBVTZEHIN-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000063153047 173381603 /nfs/dbraw/zinc/38/16/03/173381603.db2.gz SAVPORUFMGVYHO-SNVBAGLBSA-N 2 1 210.346 1.789 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000053031115 173381594 /nfs/dbraw/zinc/38/15/94/173381594.db2.gz WRGGGCRRRIEAIO-VXGBXAGGSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccncc2)C1 ZINC000053031115 173381595 /nfs/dbraw/zinc/38/15/95/173381595.db2.gz WRGGGCRRRIEAIO-VXGBXAGGSA-N 2 1 219.332 1.684 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000063153047 173381601 /nfs/dbraw/zinc/38/16/01/173381601.db2.gz SAVPORUFMGVYHO-SNVBAGLBSA-N 2 1 210.346 1.789 20 0 BDADMP C[NH2+]C[C@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000070800311 173382164 /nfs/dbraw/zinc/38/21/64/173382164.db2.gz IWYMEHOAMVUVGV-LLVKDONJSA-N 2 1 205.305 1.436 20 0 BDADMP CCC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000310338990 487627275 /nfs/dbraw/zinc/62/72/75/487627275.db2.gz DJXFRVGSUYIZHL-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP CCC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000310338990 487627281 /nfs/dbraw/zinc/62/72/81/487627281.db2.gz DJXFRVGSUYIZHL-AWEZNQCLSA-N 2 1 242.407 1.810 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000309461457 174177526 /nfs/dbraw/zinc/17/75/26/174177526.db2.gz OXXHKGYWYHDTIC-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357072318 174179862 /nfs/dbraw/zinc/17/98/62/174179862.db2.gz HDKRAXKPXKFDTA-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP COCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123408971 174187056 /nfs/dbraw/zinc/18/70/56/174187056.db2.gz KYCKCKXNLXDIOU-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123408971 174187058 /nfs/dbraw/zinc/18/70/58/174187058.db2.gz KYCKCKXNLXDIOU-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123408971 174187059 /nfs/dbraw/zinc/18/70/59/174187059.db2.gz KYCKCKXNLXDIOU-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123408971 174187060 /nfs/dbraw/zinc/18/70/60/174187060.db2.gz KYCKCKXNLXDIOU-CHWSQXEVSA-N 2 1 228.380 1.828 20 0 BDADMP COCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435486 174193834 /nfs/dbraw/zinc/19/38/34/174193834.db2.gz CAKHANBUEAQPCW-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339435486 174193836 /nfs/dbraw/zinc/19/38/36/174193836.db2.gz CAKHANBUEAQPCW-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339435486 174193839 /nfs/dbraw/zinc/19/38/39/174193839.db2.gz CAKHANBUEAQPCW-CQSZACIVSA-N 2 1 240.391 1.831 20 0 BDADMP COCCC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120412166 174216183 /nfs/dbraw/zinc/21/61/83/174216183.db2.gz OBRMZYYYTOBWGK-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP COCCC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120412166 174216185 /nfs/dbraw/zinc/21/61/85/174216185.db2.gz OBRMZYYYTOBWGK-UHFFFAOYSA-N 2 1 239.363 1.940 20 0 BDADMP COCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000082645400 174230399 /nfs/dbraw/zinc/23/03/99/174230399.db2.gz PDWIDPNMDMEYEO-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]CC1(SC)CC1 ZINC000336778872 174274669 /nfs/dbraw/zinc/27/46/69/174274669.db2.gz MOCMFJHAYVZUOQ-UHFFFAOYSA-N 2 1 246.420 1.440 20 0 BDADMP COCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000120408346 174279450 /nfs/dbraw/zinc/27/94/50/174279450.db2.gz POGUOBXHIKSBHZ-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP COCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000120408346 174279451 /nfs/dbraw/zinc/27/94/51/174279451.db2.gz POGUOBXHIKSBHZ-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP COCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000120408346 174279453 /nfs/dbraw/zinc/27/94/53/174279453.db2.gz POGUOBXHIKSBHZ-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP COCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000120408346 174279454 /nfs/dbraw/zinc/27/94/54/174279454.db2.gz POGUOBXHIKSBHZ-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP COCC[NH+](CCOC)CC[C@H]1CCC[N@@H+]1C ZINC000124731416 174295759 /nfs/dbraw/zinc/29/57/59/174295759.db2.gz LPNFOMLGPJEGJM-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCC[NH+](CCOC)CC[C@H]1CCC[N@H+]1C ZINC000124731416 174295760 /nfs/dbraw/zinc/29/57/60/174295760.db2.gz LPNFOMLGPJEGJM-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCC[NH+]1CCC([NH2+]CC[C@H](C)F)CC1 ZINC000340466254 174305293 /nfs/dbraw/zinc/30/52/93/174305293.db2.gz MLUWSXGLOJQIEM-NSHDSACASA-N 2 1 232.343 1.435 20 0 BDADMP COCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000045025080 174382516 /nfs/dbraw/zinc/38/25/16/174382516.db2.gz NPRYUQLMOPTSEM-LLVKDONJSA-N 2 1 226.364 1.628 20 0 BDADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000356350143 174732247 /nfs/dbraw/zinc/73/22/47/174732247.db2.gz RRJGJWQYRFFUAL-AWEZNQCLSA-N 2 1 238.375 1.628 20 0 BDADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247957 175075633 /nfs/dbraw/zinc/07/56/33/175075633.db2.gz HOVLOORNIWJZGY-GFCCVEGCSA-N 2 1 234.343 1.784 20 0 BDADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCOCC[NH3+] ZINC000093232475 176025115 /nfs/dbraw/zinc/02/51/15/176025115.db2.gz MAGXZXFQBJYVEC-NSHDSACASA-N 2 1 240.322 1.794 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC[NH3+] ZINC000019424909 176071007 /nfs/dbraw/zinc/07/10/07/176071007.db2.gz LEZWHKPLPSRKCY-GFCCVEGCSA-N 2 1 241.379 1.106 20 0 BDADMP C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336663779 176073158 /nfs/dbraw/zinc/07/31/58/176073158.db2.gz OYBIUMYJBLFIQC-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336663779 176073160 /nfs/dbraw/zinc/07/31/60/176073160.db2.gz OYBIUMYJBLFIQC-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336663779 176073162 /nfs/dbraw/zinc/07/31/62/176073162.db2.gz OYBIUMYJBLFIQC-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336663779 176073163 /nfs/dbraw/zinc/07/31/63/176073163.db2.gz OYBIUMYJBLFIQC-DGCLKSJQSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000105480752 176268257 /nfs/dbraw/zinc/26/82/57/176268257.db2.gz WQPQEPRSWCXCIP-RISCZKNCSA-N 2 1 234.343 1.822 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000105480752 176268259 /nfs/dbraw/zinc/26/82/59/176268259.db2.gz WQPQEPRSWCXCIP-RISCZKNCSA-N 2 1 234.343 1.822 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccncc1 ZINC000275606632 176269348 /nfs/dbraw/zinc/26/93/48/176269348.db2.gz LEIRKQCZMLRRNA-OCCSQVGLSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccncc1 ZINC000275606632 176269350 /nfs/dbraw/zinc/26/93/50/176269350.db2.gz LEIRKQCZMLRRNA-OCCSQVGLSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000275606632 176269352 /nfs/dbraw/zinc/26/93/52/176269352.db2.gz LEIRKQCZMLRRNA-OCCSQVGLSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000275606632 176269354 /nfs/dbraw/zinc/26/93/54/176269354.db2.gz LEIRKQCZMLRRNA-OCCSQVGLSA-N 2 1 233.359 1.854 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000305118723 176269521 /nfs/dbraw/zinc/26/95/21/176269521.db2.gz GIQLZURUDCBUDA-RFGFWPKPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361982978 176269764 /nfs/dbraw/zinc/26/97/64/176269764.db2.gz SEUVRQFXMIAMEB-RYSNWHEDSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361982978 176269765 /nfs/dbraw/zinc/26/97/65/176269765.db2.gz SEUVRQFXMIAMEB-RYSNWHEDSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000356911282 176269864 /nfs/dbraw/zinc/26/98/64/176269864.db2.gz IRILDYYTWSEIKM-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC(F)F ZINC000309816604 176271021 /nfs/dbraw/zinc/27/10/21/176271021.db2.gz VJORELOFYKOHML-NXEZZACHSA-N 2 1 236.306 1.198 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000335606859 176271178 /nfs/dbraw/zinc/27/11/78/176271178.db2.gz YWAQYMGCMNPTKH-DGCLKSJQSA-N 2 1 224.348 1.263 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1ccccn1 ZINC000358310763 176271356 /nfs/dbraw/zinc/27/13/56/176271356.db2.gz WXRHNZLLGZYCOD-UKRRQHHQSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)O ZINC000083461207 176278107 /nfs/dbraw/zinc/27/81/07/176278107.db2.gz BJXZTTMCGWJRHH-GMTAPVOTSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000038087811 176278318 /nfs/dbraw/zinc/27/83/18/176278318.db2.gz XMVYJXFRDBCHPA-LPWJVIDDSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)C ZINC000038087811 176278319 /nfs/dbraw/zinc/27/83/19/176278319.db2.gz XMVYJXFRDBCHPA-LPWJVIDDSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)C ZINC000038087811 176278320 /nfs/dbraw/zinc/27/83/20/176278320.db2.gz XMVYJXFRDBCHPA-LPWJVIDDSA-N 2 1 227.396 1.255 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1cccn1 ZINC000042539464 176278740 /nfs/dbraw/zinc/27/87/40/176278740.db2.gz VCHCBWVGOFMDHZ-UPJWGTAASA-N 2 1 236.363 1.201 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000037738674 176278933 /nfs/dbraw/zinc/27/89/33/176278933.db2.gz DLVHGFPLVJLPRA-NDBYEHHHSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000348222938 176279027 /nfs/dbraw/zinc/27/90/27/176279027.db2.gz WSLQDOZHSFCYCA-BZPMIXESSA-N 2 1 238.375 1.651 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCOCC1 ZINC000036908724 176279404 /nfs/dbraw/zinc/27/94/04/176279404.db2.gz XELTYXTXWBUVBC-NQBHXWOUSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000305856986 176340293 /nfs/dbraw/zinc/34/02/93/176340293.db2.gz MUNBLICMPSBPOV-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000310059689 176341915 /nfs/dbraw/zinc/34/19/15/176341915.db2.gz JZDGJALIDLUTGY-ZOBORPQBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000310059689 176341917 /nfs/dbraw/zinc/34/19/17/176341917.db2.gz JZDGJALIDLUTGY-ZOBORPQBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccn2)CC[NH2+]1 ZINC000235379833 176367303 /nfs/dbraw/zinc/36/73/03/176367303.db2.gz CVVUTSXZVYSSHJ-OLZOCXBDSA-N 2 1 233.359 1.902 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000235379374 176367894 /nfs/dbraw/zinc/36/78/94/176367894.db2.gz FSOIHWPROGGADR-RDBSUJKOSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C)OC(C)(C)C2)CC[NH2+]1 ZINC000235382237 176368410 /nfs/dbraw/zinc/36/84/10/176368410.db2.gz QZMPJHMGKKFISC-UPJWGTAASA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(F)F)CC[N@@H+]1C ZINC000336730855 176378249 /nfs/dbraw/zinc/37/82/49/176378249.db2.gz DYTZCDMEKXALPZ-KXUCPTDWSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(F)F)CC[N@H+]1C ZINC000336730855 176378251 /nfs/dbraw/zinc/37/82/51/176378251.db2.gz DYTZCDMEKXALPZ-KXUCPTDWSA-N 2 1 236.306 1.075 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSC2(C)C)CC[N@@H+]1C ZINC000336745448 176378951 /nfs/dbraw/zinc/37/89/51/176378951.db2.gz BBUXSSAPENWRQY-OUAUKWLOSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSC2(C)C)CC[N@H+]1C ZINC000336745448 176378954 /nfs/dbraw/zinc/37/89/54/176378954.db2.gz BBUXSSAPENWRQY-OUAUKWLOSA-N 2 1 228.405 1.953 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336682274 177002285 /nfs/dbraw/zinc/00/22/85/177002285.db2.gz DCSVBYNZANCCEL-MELADBBJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336679957 177008309 /nfs/dbraw/zinc/00/83/09/177008309.db2.gz CHYPEJYCABLDJB-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336679957 177008310 /nfs/dbraw/zinc/00/83/10/177008310.db2.gz CHYPEJYCABLDJB-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](O)[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336679957 177008312 /nfs/dbraw/zinc/00/83/12/177008312.db2.gz CHYPEJYCABLDJB-IHRRRGAJSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@H](c1cccnc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000222997500 177046165 /nfs/dbraw/zinc/04/61/65/177046165.db2.gz WRWVQBTZIYZCHS-MNOVXSKESA-N 2 1 205.305 1.423 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000361881823 177234154 /nfs/dbraw/zinc/23/41/54/177234154.db2.gz WXZISAPZROZEBG-QWHCGFSZSA-N 2 1 248.374 1.423 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000309826640 177234300 /nfs/dbraw/zinc/23/43/00/177234300.db2.gz XKRVXRIKZLJJHS-NWDGAFQWSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000361184539 177234524 /nfs/dbraw/zinc/23/45/24/177234524.db2.gz SIWYSGKGQUFRHK-SWLSCSKDSA-N 2 1 248.370 1.609 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000310581811 177234991 /nfs/dbraw/zinc/23/49/91/177234991.db2.gz RJFSBSJZYGWUBI-GXTWGEPZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[N@H+](CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000251712628 177246118 /nfs/dbraw/zinc/24/61/18/177246118.db2.gz JMKAUDXXLNLCGM-JGVFFNPUSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@H]1C[N@@H+](CCC(F)(F)F)CC[C@H]1[NH3+] ZINC000251712628 177246119 /nfs/dbraw/zinc/24/61/19/177246119.db2.gz JMKAUDXXLNLCGM-JGVFFNPUSA-N 2 1 210.243 1.608 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000051919614 177254200 /nfs/dbraw/zinc/25/42/00/177254200.db2.gz OEKOXZOGQCYOCW-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000051918896 177254610 /nfs/dbraw/zinc/25/46/10/177254610.db2.gz PRXNNBAHHAVDAE-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCSC[C@@H]2C)CC[NH2+]1 ZINC000235382011 177305556 /nfs/dbraw/zinc/30/55/56/177305556.db2.gz TWUNLLMMFUVFAB-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccn1 ZINC000122297380 177324613 /nfs/dbraw/zinc/32/46/13/177324613.db2.gz BWUZLEDGYPBGCW-QWRGUYRKSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+]2CCC(F)(F)C2)CC[NH2+]1 ZINC000313334023 177324905 /nfs/dbraw/zinc/32/49/05/177324905.db2.gz DEYQQXHNWRKXET-UWVGGRQHSA-N 2 1 218.291 1.716 20 0 BDADMP C[C@H]1C[C@@H](C[N@H+]2CCC(F)(F)C2)CC[NH2+]1 ZINC000313334023 177324908 /nfs/dbraw/zinc/32/49/08/177324908.db2.gz DEYQQXHNWRKXET-UWVGGRQHSA-N 2 1 218.291 1.716 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000300415039 177334137 /nfs/dbraw/zinc/33/41/37/177334137.db2.gz RLKXJAFINOQZOV-XVIXHAIJSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c[nH]nc21 ZINC000334143249 177361197 /nfs/dbraw/zinc/36/11/97/177361197.db2.gz RAPFSMSVVRMCSR-WDEREUQCSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccn1 ZINC000049712254 177363936 /nfs/dbraw/zinc/36/39/36/177363936.db2.gz BCNGGRGYAGFJOO-WDEREUQCSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccn1 ZINC000049712254 177363938 /nfs/dbraw/zinc/36/39/38/177363938.db2.gz BCNGGRGYAGFJOO-WDEREUQCSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccncc1 ZINC000048261847 177371101 /nfs/dbraw/zinc/37/11/01/177371101.db2.gz VNXMALUFBDMGFM-IPYPFGDCSA-N 2 1 247.386 1.942 20 0 BDADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCOCC[NH3+] ZINC000357077014 177375776 /nfs/dbraw/zinc/37/57/76/177375776.db2.gz IZONBHGLFBAUFS-ZFWWWQNUSA-N 2 1 248.370 1.840 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)CC1 ZINC000393873844 487644957 /nfs/dbraw/zinc/64/49/57/487644957.db2.gz CAJYJAFICOUKEV-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000393873844 487644963 /nfs/dbraw/zinc/64/49/63/487644963.db2.gz CAJYJAFICOUKEV-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)CC1 ZINC000393873844 487644971 /nfs/dbraw/zinc/64/49/71/487644971.db2.gz CAJYJAFICOUKEV-KBPBESRZSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1cncc(F)c1 ZINC000494603660 226266823 /nfs/dbraw/zinc/26/68/23/226266823.db2.gz NCASKKPZENBERQ-IINYFYTJSA-N 2 1 249.333 1.793 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400495871 226344864 /nfs/dbraw/zinc/34/48/64/226344864.db2.gz AYAJTXMKPHYEIF-GXSJLCMTSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@H](NCC1(C)CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400720699 226350537 /nfs/dbraw/zinc/35/05/37/226350537.db2.gz OKAMMBNDENJFQS-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP Cn1cncc1CCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000314899688 487670187 /nfs/dbraw/zinc/67/01/87/487670187.db2.gz NDSXAOFDOILPHR-UHFFFAOYSA-N 2 1 238.379 1.269 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[NH3+] ZINC000307648752 229217266 /nfs/dbraw/zinc/21/72/66/229217266.db2.gz FEBKFHNQFWGVDW-AWEZNQCLSA-N 2 1 247.386 1.542 20 0 BDADMP OCC[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000087647739 487673709 /nfs/dbraw/zinc/67/37/09/487673709.db2.gz SPUSMGGZQOSHGB-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cncc(C)c2)C1 ZINC000228618683 487695294 /nfs/dbraw/zinc/69/52/94/487695294.db2.gz BUZAPKANUANXLI-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cncc(C)c2)C1 ZINC000228618683 487695301 /nfs/dbraw/zinc/69/53/01/487695301.db2.gz BUZAPKANUANXLI-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000228623021 487696281 /nfs/dbraw/zinc/69/62/81/487696281.db2.gz CDBBWFNSSBSNCQ-JSGCOSHPSA-N 2 1 233.359 1.807 20 0 BDADMP FCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088026318 487699678 /nfs/dbraw/zinc/69/96/78/487699678.db2.gz SOPUWIHJXOQWAU-NEPJUHHUSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000082645538 487704678 /nfs/dbraw/zinc/70/46/78/487704678.db2.gz PURVJFXYJLCJNY-AVGNSLFASA-N 2 1 226.364 1.615 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000309807854 487724451 /nfs/dbraw/zinc/72/44/51/487724451.db2.gz LUJKCQVXUFTMHW-HNNXBMFYSA-N 2 1 248.370 1.745 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251023862 487746648 /nfs/dbraw/zinc/74/66/48/487746648.db2.gz ZXOFPQQLHQYSMJ-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251269228 487752289 /nfs/dbraw/zinc/75/22/89/487752289.db2.gz XFOAUPHLXATCJG-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H]1C[N@H+](Cc2cncs2)CC[C@H]1[NH3+] ZINC000252787217 487757478 /nfs/dbraw/zinc/75/74/78/487757478.db2.gz WFGZCOWZZKZNOI-GXSJLCMTSA-N 2 1 225.361 1.702 20 0 BDADMP CC[C@H]1C[N@@H+](Cc2cncs2)CC[C@H]1[NH3+] ZINC000252787217 487757481 /nfs/dbraw/zinc/75/74/81/487757481.db2.gz WFGZCOWZZKZNOI-GXSJLCMTSA-N 2 1 225.361 1.702 20 0 BDADMP Cc1cc(NCCCC[N@@H+](C)C2CC2)nc(C)[nH+]1 ZINC000413349428 487779267 /nfs/dbraw/zinc/77/92/67/487779267.db2.gz RRBIMEWJALYTAY-UHFFFAOYSA-N 2 1 248.374 1.802 20 0 BDADMP Cc1cc(NCCCC[N@H+](C)C2CC2)nc(C)[nH+]1 ZINC000413349428 487779271 /nfs/dbraw/zinc/77/92/71/487779271.db2.gz RRBIMEWJALYTAY-UHFFFAOYSA-N 2 1 248.374 1.802 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1 ZINC000681399593 487792656 /nfs/dbraw/zinc/79/26/56/487792656.db2.gz DADOUZLISONSBE-ZIAGYGMSSA-N 2 1 231.343 1.350 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCOC2)C1 ZINC000459742395 487793469 /nfs/dbraw/zinc/79/34/69/487793469.db2.gz WDJVTHZIOPJMHZ-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000675983300 487798304 /nfs/dbraw/zinc/79/83/04/487798304.db2.gz PBERLFULPMERJY-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000675983300 487798308 /nfs/dbraw/zinc/79/83/08/487798308.db2.gz PBERLFULPMERJY-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000675983300 487798316 /nfs/dbraw/zinc/79/83/16/487798316.db2.gz PBERLFULPMERJY-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C12CCC2 ZINC000414697662 487818025 /nfs/dbraw/zinc/81/80/25/487818025.db2.gz CPYGIKOGVPLZCR-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP CCC1CCC([N@@H+](CCO)CCC[NH3+])CC1 ZINC000414755273 487821386 /nfs/dbraw/zinc/82/13/86/487821386.db2.gz OTFAOJCDJNCNAF-UHFFFAOYSA-N 2 1 228.380 1.598 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000224122208 487822644 /nfs/dbraw/zinc/82/26/44/487822644.db2.gz RAUPOLPJXUIJNN-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@H+]1C ZINC000224122208 487822646 /nfs/dbraw/zinc/82/26/46/487822646.db2.gz RAUPOLPJXUIJNN-FDYHWXHSSA-N 2 1 226.364 1.220 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252724369 487831214 /nfs/dbraw/zinc/83/12/14/487831214.db2.gz XCGTXMZQEZCTMS-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])CCC)C1 ZINC000389737943 487832529 /nfs/dbraw/zinc/83/25/29/487832529.db2.gz LFSZXPAVXYCAOZ-AAEUAGOBSA-N 2 1 241.379 1.104 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252792464 487834301 /nfs/dbraw/zinc/83/43/01/487834301.db2.gz VNXORVDSBRUFLW-QWRGUYRKSA-N 2 1 236.363 1.152 20 0 BDADMP FCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474676 588028561 /nfs/dbraw/zinc/02/85/61/588028561.db2.gz WTGCPDJYVPEPFN-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP FCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474676 588028563 /nfs/dbraw/zinc/02/85/63/588028563.db2.gz WTGCPDJYVPEPFN-QWRGUYRKSA-N 2 1 200.301 1.420 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852748441 588699551 /nfs/dbraw/zinc/69/95/51/588699551.db2.gz VVKHQWKKOYFRDJ-SECBINFHSA-N 2 1 222.279 1.286 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnn(C)c1 ZINC000651866994 487849415 /nfs/dbraw/zinc/84/94/15/487849415.db2.gz YJGDADMYBFROPK-UHFFFAOYSA-N 2 1 238.379 1.488 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnn(C)c1 ZINC000651866994 487849419 /nfs/dbraw/zinc/84/94/19/487849419.db2.gz YJGDADMYBFROPK-UHFFFAOYSA-N 2 1 238.379 1.488 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253126518 487855481 /nfs/dbraw/zinc/85/54/81/487855481.db2.gz RLWNKAQYLLBYLB-HZSPNIEDSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000666689054 487860522 /nfs/dbraw/zinc/86/05/22/487860522.db2.gz XDXQFFLIUFEFNZ-CYBMUJFWSA-N 2 1 220.316 1.878 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666699880 487863275 /nfs/dbraw/zinc/86/32/75/487863275.db2.gz BWEBPEGPQDSMNZ-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC000666852108 487872476 /nfs/dbraw/zinc/87/24/76/487872476.db2.gz FSXCPANLUOIMOA-VXGBXAGGSA-N 2 1 244.342 1.694 20 0 BDADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000666770216 487877658 /nfs/dbraw/zinc/87/76/58/487877658.db2.gz PKDDYKOAJYXNEK-IHRRRGAJSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1ncccc1C(F)(F)F ZINC000666826434 487886922 /nfs/dbraw/zinc/88/69/22/487886922.db2.gz ZDLGZSKVKTTXTD-MRVPVSSYSA-N 2 1 247.264 1.785 20 0 BDADMP C[C@@]1(C[NH2+]CC2(F)CC2)CCC[NH2+]C1 ZINC000666844141 487889547 /nfs/dbraw/zinc/88/95/47/487889547.db2.gz JYOLHUVGPHHVMI-SNVBAGLBSA-N 2 1 200.301 1.468 20 0 BDADMP COc1ccsc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856475 487890847 /nfs/dbraw/zinc/89/08/47/487890847.db2.gz KVWMAVARXIHROL-JTQLQIEISA-N 2 1 240.372 1.988 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000386827699 487897171 /nfs/dbraw/zinc/89/71/71/487897171.db2.gz VGXYXZXAODSCKA-WCQYABFASA-N 2 1 236.363 1.312 20 0 BDADMP COCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404296308 487917447 /nfs/dbraw/zinc/91/74/47/487917447.db2.gz NZYGJVJYSQZYJF-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235128035 487923739 /nfs/dbraw/zinc/92/37/39/487923739.db2.gz MFCMCFIFFFSELA-RYUDHWBXSA-N 2 1 222.336 1.003 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652335744 487924341 /nfs/dbraw/zinc/92/43/41/487924341.db2.gz DNOPPDOQMAKKHJ-UHFFFAOYSA-N 3 1 233.359 1.113 20 0 BDADMP CN(CCC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652335744 487924347 /nfs/dbraw/zinc/92/43/47/487924347.db2.gz DNOPPDOQMAKKHJ-UHFFFAOYSA-N 2 1 233.359 1.113 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000652335839 487924783 /nfs/dbraw/zinc/92/47/83/487924783.db2.gz KCMVZOLHWHWQAD-UHFFFAOYSA-N 2 1 248.374 1.261 20 0 BDADMP CC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083847079 487944024 /nfs/dbraw/zinc/94/40/24/487944024.db2.gz UGYUDKIMBYTRDC-PSEXLTFBSA-N 2 1 226.364 1.362 20 0 BDADMP COC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000561983879 323010147 /nfs/dbraw/zinc/01/01/47/323010147.db2.gz ZALUNDCYIVDFES-UPJWGTAASA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000561983879 323010148 /nfs/dbraw/zinc/01/01/48/323010148.db2.gz ZALUNDCYIVDFES-UPJWGTAASA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000561983879 323010149 /nfs/dbraw/zinc/01/01/49/323010149.db2.gz ZALUNDCYIVDFES-UPJWGTAASA-N 2 1 228.380 1.541 20 0 BDADMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000561983879 323010150 /nfs/dbraw/zinc/01/01/50/323010150.db2.gz ZALUNDCYIVDFES-UPJWGTAASA-N 2 1 228.380 1.541 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248169665 323016295 /nfs/dbraw/zinc/01/62/95/323016295.db2.gz UNGKBHREGIHFAV-WUHRBBMRSA-N 2 1 228.380 1.466 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000567638907 323034312 /nfs/dbraw/zinc/03/43/12/323034312.db2.gz VDXHRXMQVUKGHU-LBPRGKRZSA-N 2 1 236.363 1.387 20 0 BDADMP CC[NH2+]CCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000562956239 323034920 /nfs/dbraw/zinc/03/49/20/323034920.db2.gz KRWXDGVYENDZEO-RWMBFGLXSA-N 2 1 227.396 1.304 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000562956239 323034921 /nfs/dbraw/zinc/03/49/21/323034921.db2.gz KRWXDGVYENDZEO-RWMBFGLXSA-N 3 1 227.396 1.304 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000562956239 323034922 /nfs/dbraw/zinc/03/49/22/323034922.db2.gz KRWXDGVYENDZEO-RWMBFGLXSA-N 3 1 227.396 1.304 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H](C)O ZINC000570037559 323047890 /nfs/dbraw/zinc/04/78/90/323047890.db2.gz BBUFRXKTLCHGMQ-GHMZBOCLSA-N 2 1 225.336 1.331 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H](C)O ZINC000570037563 323047937 /nfs/dbraw/zinc/04/79/37/323047937.db2.gz BBUFRXKTLCHGMQ-QWRGUYRKSA-N 2 1 225.336 1.331 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000570092895 323050009 /nfs/dbraw/zinc/05/00/09/323050009.db2.gz AVNRUJDLJLZNEM-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000570200218 323052629 /nfs/dbraw/zinc/05/26/29/323052629.db2.gz SUJZXQUNKCADFS-NSHDSACASA-N 2 1 224.352 1.553 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000570264931 323054212 /nfs/dbraw/zinc/05/42/12/323054212.db2.gz JCFQWOGVBBALHG-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000570264931 323054213 /nfs/dbraw/zinc/05/42/13/323054213.db2.gz JCFQWOGVBBALHG-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000570264931 323054214 /nfs/dbraw/zinc/05/42/14/323054214.db2.gz JCFQWOGVBBALHG-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000570264932 323054310 /nfs/dbraw/zinc/05/43/10/323054310.db2.gz JCFQWOGVBBALHG-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000570264932 323054311 /nfs/dbraw/zinc/05/43/11/323054311.db2.gz JCFQWOGVBBALHG-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@@H](C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000570264932 323054312 /nfs/dbraw/zinc/05/43/12/323054312.db2.gz JCFQWOGVBBALHG-STQMWFEESA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000570264929 323054342 /nfs/dbraw/zinc/05/43/42/323054342.db2.gz JCFQWOGVBBALHG-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000570264929 323054343 /nfs/dbraw/zinc/05/43/43/323054343.db2.gz JCFQWOGVBBALHG-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP COC[C@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000570264929 323054344 /nfs/dbraw/zinc/05/43/44/323054344.db2.gz JCFQWOGVBBALHG-CHWSQXEVSA-N 2 1 226.364 1.297 20 0 BDADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ncccc2F)C1 ZINC000570292646 323055520 /nfs/dbraw/zinc/05/55/20/323055520.db2.gz DZOUTHVBJNWTCU-UWVGGRQHSA-N 2 1 223.295 1.580 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000570739976 323069109 /nfs/dbraw/zinc/06/91/09/323069109.db2.gz XIIGTSLJJOXZOQ-DLOVCJGASA-N 2 1 236.363 1.509 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CSC)C1 ZINC000562984713 323078120 /nfs/dbraw/zinc/07/81/20/323078120.db2.gz FMFLQCHANWEYTF-NEPJUHHUSA-N 2 1 246.420 1.032 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000397255253 323080818 /nfs/dbraw/zinc/08/08/18/323080818.db2.gz FHCXIHCDJQKQFF-WOPDTQHZSA-N 2 1 236.363 1.225 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000397255253 323080819 /nfs/dbraw/zinc/08/08/19/323080819.db2.gz FHCXIHCDJQKQFF-WOPDTQHZSA-N 2 1 236.363 1.225 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H](C)C1 ZINC000571222322 323138456 /nfs/dbraw/zinc/13/84/56/323138456.db2.gz JXEWARLQVGCITQ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H](C)C1 ZINC000571222322 323138457 /nfs/dbraw/zinc/13/84/57/323138457.db2.gz JXEWARLQVGCITQ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000571222322 323138458 /nfs/dbraw/zinc/13/84/58/323138458.db2.gz JXEWARLQVGCITQ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000571222322 323138459 /nfs/dbraw/zinc/13/84/59/323138459.db2.gz JXEWARLQVGCITQ-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC(C)(C[NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000571276547 323139811 /nfs/dbraw/zinc/13/98/11/323139811.db2.gz BBTDWLATVCAPPY-UHFFFAOYSA-N 2 1 247.342 1.108 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)c(C)c1 ZINC000259105694 323146594 /nfs/dbraw/zinc/14/65/94/323146594.db2.gz SKQXFTAEVZZJMV-AWEZNQCLSA-N 2 1 218.344 1.797 20 0 BDADMP COC(C)(C)C[N@@H+](C)CCn1ccnc1C ZINC000535034802 323164101 /nfs/dbraw/zinc/16/41/01/323164101.db2.gz JXDXKUWECHTDRX-UHFFFAOYSA-N 2 1 225.336 1.548 20 0 BDADMP COC(C)(C)C[N@H+](C)CCn1cc[nH+]c1C ZINC000535034802 323164102 /nfs/dbraw/zinc/16/41/02/323164102.db2.gz JXDXKUWECHTDRX-UHFFFAOYSA-N 2 1 225.336 1.548 20 0 BDADMP COC(C)(C)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000535034802 323164103 /nfs/dbraw/zinc/16/41/03/323164103.db2.gz JXDXKUWECHTDRX-UHFFFAOYSA-N 2 1 225.336 1.548 20 0 BDADMP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000520972753 323173838 /nfs/dbraw/zinc/17/38/38/323173838.db2.gz BOPKXFYCZLJRHC-WDEREUQCSA-N 2 1 216.369 1.323 20 0 BDADMP C[C@H](C[NH2+]CC1(F)CC1)C[NH+]1CCCC1 ZINC000309021676 323194619 /nfs/dbraw/zinc/19/46/19/323194619.db2.gz XNOAULXNKPYRPP-LLVKDONJSA-N 2 1 214.328 1.810 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000572510669 324137502 /nfs/dbraw/zinc/13/75/02/324137502.db2.gz LAMORFKILDFUEE-WCQYABFASA-N 2 1 222.332 1.861 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000192779969 324199916 /nfs/dbraw/zinc/19/99/16/324199916.db2.gz DXMVTNVTNDFICB-CYBMUJFWSA-N 2 1 241.423 1.743 20 0 BDADMP C[C@H]([NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000530224084 324543407 /nfs/dbraw/zinc/54/34/07/324543407.db2.gz KXXSHZQFDTYXCK-DVWMECQTSA-N 2 1 226.364 1.528 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130157729 325018957 /nfs/dbraw/zinc/01/89/57/325018957.db2.gz MTROGMRTUGCPBV-TUAOUCFPSA-N 2 1 213.369 1.009 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000131116987 325118354 /nfs/dbraw/zinc/11/83/54/325118354.db2.gz HCFYXYCCDMJBNF-RYUDHWBXSA-N 2 1 224.348 1.118 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000131116987 325118352 /nfs/dbraw/zinc/11/83/52/325118352.db2.gz HCFYXYCCDMJBNF-RYUDHWBXSA-N 2 1 224.348 1.118 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000133938438 325332629 /nfs/dbraw/zinc/33/26/29/325332629.db2.gz HPNZFZHZMCHCMC-GARJFASQSA-N 2 1 216.394 1.810 20 0 BDADMP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000133938438 325332631 /nfs/dbraw/zinc/33/26/31/325332631.db2.gz HPNZFZHZMCHCMC-GARJFASQSA-N 2 1 216.394 1.810 20 0 BDADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000309456579 487970350 /nfs/dbraw/zinc/97/03/50/487970350.db2.gz NUUUMVKNFUZQQH-YPMHNXCESA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000309456579 487970353 /nfs/dbraw/zinc/97/03/53/487970353.db2.gz NUUUMVKNFUZQQH-YPMHNXCESA-N 2 1 228.380 1.325 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000565843940 325964236 /nfs/dbraw/zinc/96/42/36/325964236.db2.gz TZPIVYCAELFNLP-NXEZZACHSA-N 2 1 223.320 1.597 20 0 BDADMP C[C@@H](CSC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000566214927 326015715 /nfs/dbraw/zinc/01/57/15/326015715.db2.gz ZKZZPXBBMFJQJC-QWRGUYRKSA-N 2 1 232.393 1.000 20 0 BDADMP C[C@@H](CSC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000566214927 326015718 /nfs/dbraw/zinc/01/57/18/326015718.db2.gz ZKZZPXBBMFJQJC-QWRGUYRKSA-N 2 1 232.393 1.000 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C)C2)[C@@H](C)C1 ZINC000566216245 326016442 /nfs/dbraw/zinc/01/64/42/326016442.db2.gz XDIOLUBRNQEHKK-CYDGBPFRSA-N 2 1 226.364 1.484 20 0 BDADMP FC1(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000566229862 326018319 /nfs/dbraw/zinc/01/83/19/326018319.db2.gz PSTFNOIJHVZVNW-NWDGAFQWSA-N 2 1 226.339 1.810 20 0 BDADMP FC1(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000566229864 326019006 /nfs/dbraw/zinc/01/90/06/326019006.db2.gz PSTFNOIJHVZVNW-VXGBXAGGSA-N 2 1 226.339 1.810 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cccs1 ZINC000566351910 326035887 /nfs/dbraw/zinc/03/58/87/326035887.db2.gz KLWGLMDMVKFFOV-NSHDSACASA-N 2 1 228.361 1.150 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cccs1 ZINC000566351910 326035889 /nfs/dbraw/zinc/03/58/89/326035889.db2.gz KLWGLMDMVKFFOV-NSHDSACASA-N 2 1 228.361 1.150 20 0 BDADMP COCC1(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000567167370 326127926 /nfs/dbraw/zinc/12/79/26/326127926.db2.gz QGRVOCSMQFVHIN-VXGBXAGGSA-N 2 1 226.364 1.391 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@H](C)OC)C(C)C ZINC000567246704 326149662 /nfs/dbraw/zinc/14/96/62/326149662.db2.gz SDTKSAMDVXLIGV-QWHCGFSZSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C[C@H](C)OC)C(C)C ZINC000567246704 326149666 /nfs/dbraw/zinc/14/96/66/326149666.db2.gz SDTKSAMDVXLIGV-QWHCGFSZSA-N 2 1 246.395 1.044 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C[C@H](C)OC)C(C)C ZINC000567246704 326149668 /nfs/dbraw/zinc/14/96/68/326149668.db2.gz SDTKSAMDVXLIGV-QWHCGFSZSA-N 2 1 246.395 1.044 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1c[nH+]ccc1N ZINC000567674476 326242991 /nfs/dbraw/zinc/24/29/91/326242991.db2.gz MVLKSNBJPNIKFW-CHWFTXMASA-N 2 1 217.316 1.943 20 0 BDADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000567837949 326267143 /nfs/dbraw/zinc/26/71/43/326267143.db2.gz DOSGOMTYFMKLFW-RYUDHWBXSA-N 2 1 241.379 1.103 20 0 BDADMP CC[N@H+](CCCO)CCCc1c[nH+]cn1C ZINC000314691151 326306126 /nfs/dbraw/zinc/30/61/26/326306126.db2.gz ALYNOVPGZNIZMX-UHFFFAOYSA-N 2 1 225.336 1.057 20 0 BDADMP CC[N@@H+](CCCO)CCCc1c[nH+]cn1C ZINC000314691151 326306129 /nfs/dbraw/zinc/30/61/29/326306129.db2.gz ALYNOVPGZNIZMX-UHFFFAOYSA-N 2 1 225.336 1.057 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CO)C(C)(C)C ZINC000314964537 326312507 /nfs/dbraw/zinc/31/25/07/326312507.db2.gz VUTVGRYQBCCCSN-GFCCVEGCSA-N 2 1 239.363 1.349 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568632358 326369309 /nfs/dbraw/zinc/36/93/09/326369309.db2.gz OPFIBDBGEPERHA-CYBMUJFWSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@]2(C)CO)CC[NH2+]1 ZINC000569199961 326394642 /nfs/dbraw/zinc/39/46/42/326394642.db2.gz DDLQPYRTCAYQHD-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCOc2ccccc21 ZINC000158990899 487985448 /nfs/dbraw/zinc/98/54/48/487985448.db2.gz OHOMVCNIBPZQRT-LBPRGKRZSA-N 2 1 234.343 1.833 20 0 BDADMP CC[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000682074986 487989700 /nfs/dbraw/zinc/98/97/00/487989700.db2.gz ZLDAVZOBNKKBPF-KGLIPLIRSA-N 2 1 239.407 1.497 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000488318916 533714405 /nfs/dbraw/zinc/71/44/05/533714405.db2.gz BRQJTNINRNGEBP-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000488318916 533714406 /nfs/dbraw/zinc/71/44/06/533714406.db2.gz BRQJTNINRNGEBP-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000488318916 533714415 /nfs/dbraw/zinc/71/44/15/533714415.db2.gz BRQJTNINRNGEBP-FRRDWIJNSA-N 2 1 210.365 1.916 20 0 BDADMP CCC[C@H]([NH3+])c1cn(CCn2cc[nH+]c2C)nn1 ZINC000229967677 488015909 /nfs/dbraw/zinc/01/59/09/488015909.db2.gz YSXWQXMLCSEUFE-NSHDSACASA-N 2 1 248.334 1.283 20 0 BDADMP CC[C@H]1CO[C@@H](C)CN1Cc1c[nH+]c(C)n1C ZINC000667475081 488019584 /nfs/dbraw/zinc/01/95/84/488019584.db2.gz CRCUPCVERQIWEZ-JQWIXIFHSA-N 2 1 237.347 1.728 20 0 BDADMP CC[N@H+](Cc1cnc(C)n1C)C[C@H]1CCCO1 ZINC000667545563 488041501 /nfs/dbraw/zinc/04/15/01/488041501.db2.gz CGXFERRBTXKSGY-CYBMUJFWSA-N 2 1 237.347 1.729 20 0 BDADMP CCN(Cc1cnc(C)n1C)C[C@H]1CCCO1 ZINC000667545563 488041507 /nfs/dbraw/zinc/04/15/07/488041507.db2.gz CGXFERRBTXKSGY-CYBMUJFWSA-N 2 1 237.347 1.729 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)CS1 ZINC000655756193 488046207 /nfs/dbraw/zinc/04/62/07/488046207.db2.gz BCFNVRLEAFDCHW-QWRGUYRKSA-N 2 1 239.388 1.836 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000388608807 488049513 /nfs/dbraw/zinc/04/95/13/488049513.db2.gz XBHSNMJBVILWJH-RDBSUJKOSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656200960 488066854 /nfs/dbraw/zinc/06/68/54/488066854.db2.gz GSXUHWCEVMZHFF-FQUUOJAGSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000656200960 488066859 /nfs/dbraw/zinc/06/68/59/488066859.db2.gz GSXUHWCEVMZHFF-FQUUOJAGSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)(C[NH2+]Cc1cn[nH]c1)C[NH+]1CCCC1 ZINC000682953644 488071432 /nfs/dbraw/zinc/07/14/32/488071432.db2.gz PWQOLBIYDLGFDV-UHFFFAOYSA-N 2 1 236.363 1.621 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)n1C ZINC000667648910 488071588 /nfs/dbraw/zinc/07/15/88/488071588.db2.gz DFVQVNJGQNBJCU-CMPLNLGQSA-N 2 1 237.347 1.464 20 0 BDADMP Cc1ncc(CN2CCCOC[C@@H]2C)n1C ZINC000667655048 488076173 /nfs/dbraw/zinc/07/61/73/488076173.db2.gz UWORNGDZOYYEDB-JTQLQIEISA-N 2 1 223.320 1.339 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000389123564 488077272 /nfs/dbraw/zinc/07/72/72/488077272.db2.gz CPPJTPVTXKOURK-AVGNSLFASA-N 2 1 225.380 1.330 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000389123564 488077275 /nfs/dbraw/zinc/07/72/75/488077275.db2.gz CPPJTPVTXKOURK-AVGNSLFASA-N 2 1 225.380 1.330 20 0 BDADMP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000257664260 488077978 /nfs/dbraw/zinc/07/79/78/488077978.db2.gz WVKUNOWUSUAVRI-QWRGUYRKSA-N 2 1 220.320 1.775 20 0 BDADMP C[NH+]1CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC000227634388 488078621 /nfs/dbraw/zinc/07/86/21/488078621.db2.gz VPWNNUACEPZRCE-UHFFFAOYSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000257703303 488085162 /nfs/dbraw/zinc/08/51/62/488085162.db2.gz QPTCCCWZMYXFTH-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000257703303 488085167 /nfs/dbraw/zinc/08/51/67/488085167.db2.gz QPTCCCWZMYXFTH-OAHLLOKOSA-N 2 1 245.370 1.966 20 0 BDADMP Cc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000257732089 488086134 /nfs/dbraw/zinc/08/61/34/488086134.db2.gz RDIVRVWGRUYAGF-AWEZNQCLSA-N 2 1 246.358 1.673 20 0 BDADMP Cc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000257732091 488086329 /nfs/dbraw/zinc/08/63/29/488086329.db2.gz RDIVRVWGRUYAGF-CQSZACIVSA-N 2 1 246.358 1.673 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000389467090 488097747 /nfs/dbraw/zinc/09/77/47/488097747.db2.gz UBSRJWWTUICBRL-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000389467090 488097756 /nfs/dbraw/zinc/09/77/56/488097756.db2.gz UBSRJWWTUICBRL-RDBSUJKOSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1cncc(CC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000402739556 488101117 /nfs/dbraw/zinc/10/11/17/488101117.db2.gz RMVYGNYEKDYYEC-UHFFFAOYSA-N 2 1 234.347 1.011 20 0 BDADMP C1=CCC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000389626489 488103108 /nfs/dbraw/zinc/10/31/08/488103108.db2.gz KREWAMIWAMWRPZ-UHFFFAOYSA-N 2 1 206.333 1.921 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667763692 488111008 /nfs/dbraw/zinc/11/10/08/488111008.db2.gz GVCRIOJCNQKPAA-UONOGXRCSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000403696103 488132292 /nfs/dbraw/zinc/13/22/92/488132292.db2.gz BCYNYIMZZWZCNN-VJTDZRGJSA-N 2 1 238.375 1.471 20 0 BDADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000403696103 488132295 /nfs/dbraw/zinc/13/22/95/488132295.db2.gz BCYNYIMZZWZCNN-VJTDZRGJSA-N 2 1 238.375 1.471 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](C)CO)CC1 ZINC000121133933 490077010 /nfs/dbraw/zinc/07/70/10/490077010.db2.gz DEHKDNPKYWTONO-LBPRGKRZSA-N 2 1 228.380 1.421 20 0 BDADMP C[N@@H+](CCC[NH3+])CC1(c2ccccc2)CC1 ZINC000382076874 487530478 /nfs/dbraw/zinc/53/04/78/487530478.db2.gz KDUKAIPBWSVOFC-UHFFFAOYSA-N 2 1 218.344 1.999 20 0 BDADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC000685462819 487530530 /nfs/dbraw/zinc/53/05/30/487530530.db2.gz MQPQZGULLOQQOZ-AWEZNQCLSA-N 2 1 248.374 1.573 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)O1 ZINC000227061060 487491497 /nfs/dbraw/zinc/49/14/97/487491497.db2.gz LVMUFSPIZVWESH-IRCOFANPSA-N 2 1 212.337 1.366 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257607 487493744 /nfs/dbraw/zinc/49/37/44/487493744.db2.gz DYNTWWBBJDSQHD-TUAOUCFPSA-N 2 1 224.348 1.380 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1CC1 ZINC000381031937 487493714 /nfs/dbraw/zinc/49/37/14/487493714.db2.gz DMAPIFOYUSIELJ-YPMHNXCESA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C1CC1 ZINC000381031937 487493724 /nfs/dbraw/zinc/49/37/24/487493724.db2.gz DMAPIFOYUSIELJ-YPMHNXCESA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000381031937 487493728 /nfs/dbraw/zinc/49/37/28/487493728.db2.gz DMAPIFOYUSIELJ-YPMHNXCESA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1C ZINC000379889107 488154986 /nfs/dbraw/zinc/15/49/86/488154986.db2.gz ADRDSKJYWXIRQL-UONOGXRCSA-N 2 1 242.407 1.952 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1C ZINC000379889107 488154990 /nfs/dbraw/zinc/15/49/90/488154990.db2.gz ADRDSKJYWXIRQL-UONOGXRCSA-N 2 1 242.407 1.952 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000390590269 488168795 /nfs/dbraw/zinc/16/87/95/488168795.db2.gz SEAMYCZTOPDPJH-STQMWFEESA-N 2 1 226.364 1.474 20 0 BDADMP Cn1ncc(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000334848217 487573482 /nfs/dbraw/zinc/57/34/82/487573482.db2.gz PDRAXNSHIYATOO-DTWKUNHWSA-N 2 1 242.754 1.433 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC000403799449 487889197 /nfs/dbraw/zinc/88/91/97/487889197.db2.gz DYKNGEOJCKJKGV-REWJHTLYSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000310489544 488032765 /nfs/dbraw/zinc/03/27/65/488032765.db2.gz FPGXFQRPQBHHPO-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000310489544 488032772 /nfs/dbraw/zinc/03/27/72/488032772.db2.gz FPGXFQRPQBHHPO-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000310489544 488032777 /nfs/dbraw/zinc/03/27/77/488032777.db2.gz FPGXFQRPQBHHPO-MGPQQGTHSA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CC2)CC[N@H+]1C ZINC000397780384 488149315 /nfs/dbraw/zinc/14/93/15/488149315.db2.gz ORKLILSFYLHUBB-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CC[N@@H+]1C ZINC000397780384 488149318 /nfs/dbraw/zinc/14/93/18/488149318.db2.gz ORKLILSFYLHUBB-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CC[N@H+]1C ZINC000397780384 488149323 /nfs/dbraw/zinc/14/93/23/488149323.db2.gz ORKLILSFYLHUBB-NWDGAFQWSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230745399 488150336 /nfs/dbraw/zinc/15/03/36/488150336.db2.gz YUFSOXGFYOSGNG-VXGBXAGGSA-N 2 1 236.363 1.022 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC1CCOCC1)C2 ZINC000379839096 488153288 /nfs/dbraw/zinc/15/32/88/488153288.db2.gz ZYLODVWXZHJPPI-KBPBESRZSA-N 2 1 238.375 1.474 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000380035130 488168522 /nfs/dbraw/zinc/16/85/22/488168522.db2.gz HPTIHCGZRYYNET-KBPBESRZSA-N 2 1 231.343 1.642 20 0 BDADMP C[N@H+](Cc1cn[nH]c1)CC1CC[NH+](C)CC1 ZINC000678238675 488222851 /nfs/dbraw/zinc/22/28/51/488222851.db2.gz CDDCZALORCYCQE-UHFFFAOYSA-N 2 1 222.336 1.183 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000398746084 488223333 /nfs/dbraw/zinc/22/33/33/488223333.db2.gz YSLQEQQKIVJKRA-QWHCGFSZSA-N 2 1 208.349 1.860 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)CC1=CCCOC1 ZINC000678236279 488223384 /nfs/dbraw/zinc/22/33/84/488223384.db2.gz XLUQAPPHGFGDGV-UHFFFAOYSA-N 2 1 240.391 1.997 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC1=CCCOC1 ZINC000678236279 488223387 /nfs/dbraw/zinc/22/33/87/488223387.db2.gz XLUQAPPHGFGDGV-UHFFFAOYSA-N 2 1 240.391 1.997 20 0 BDADMP Fc1ccc(/C=C\C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343599 488243394 /nfs/dbraw/zinc/24/33/94/488243394.db2.gz WFTBXAJKRANUFW-GFCAHOMWSA-N 2 1 246.329 1.990 20 0 BDADMP CCC1(O)CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000678547263 488266099 /nfs/dbraw/zinc/26/60/99/488266099.db2.gz DCUNOZCSMRSQTC-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H]1CN(CCCc2c[nH+]cn2C)C[C@@H](C)[NH2+]1 ZINC000314622122 490092208 /nfs/dbraw/zinc/09/22/08/490092208.db2.gz BRSKQAFDHVTPDV-VXGBXAGGSA-N 2 1 236.363 1.035 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nccn1C ZINC000665283010 490096056 /nfs/dbraw/zinc/09/60/56/490096056.db2.gz GCNPMAFEOCQHBV-AXFHLTTASA-N 2 1 222.336 1.341 20 0 BDADMP Cc1ccncc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385262670 490197291 /nfs/dbraw/zinc/19/72/91/490197291.db2.gz AUHRHGWCEKYZJS-GJZGRUSLSA-N 2 1 245.370 1.951 20 0 BDADMP COCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396721986 490220449 /nfs/dbraw/zinc/22/04/49/490220449.db2.gz WNZVTHGMNSXTOY-QWRGUYRKSA-N 2 1 214.353 1.389 20 0 BDADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000165164738 490232607 /nfs/dbraw/zinc/23/26/07/490232607.db2.gz YRVYUGGXOUBWOH-NWDGAFQWSA-N 2 1 225.380 1.330 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252772143 490267836 /nfs/dbraw/zinc/26/78/36/490267836.db2.gz LZTDHYPPNCAICU-MNOVXSKESA-N 2 1 236.363 1.152 20 0 BDADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128085923 490571896 /nfs/dbraw/zinc/57/18/96/490571896.db2.gz FHJANRABLLOVGM-VXGBXAGGSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1SCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000220536392 490608310 /nfs/dbraw/zinc/60/83/10/490608310.db2.gz PGXFIZRRFVFRKY-MWLCHTKSSA-N 2 1 214.378 1.564 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CO)[C@@H](C)C1 ZINC000222333063 490631684 /nfs/dbraw/zinc/63/16/84/490631684.db2.gz IWTSZTYEOWJOQJ-NWDGAFQWSA-N 2 1 228.380 1.325 20 0 BDADMP CC[C@@H]1C[N@H+]([C@H](C)CCOC)CC[C@H]1[NH3+] ZINC000251793298 491080504 /nfs/dbraw/zinc/08/05/04/491080504.db2.gz NRTYXJHIPUHBGY-IJLUTSLNSA-N 2 1 214.353 1.471 20 0 BDADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000228164510 491091202 /nfs/dbraw/zinc/09/12/02/491091202.db2.gz GGXWZWYCFUVHNC-DGCLKSJQSA-N 2 1 226.364 1.343 20 0 BDADMP CCc1cc(NC[C@@H]2CC[N@H+](C)C2)nc(C)[nH+]1 ZINC000088760157 491108206 /nfs/dbraw/zinc/10/82/06/491108206.db2.gz BZAXNOWQGUCDKF-NSHDSACASA-N 2 1 234.347 1.711 20 0 BDADMP CCc1cc(NC[C@@H]2CC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000088760157 491108207 /nfs/dbraw/zinc/10/82/07/491108207.db2.gz BZAXNOWQGUCDKF-NSHDSACASA-N 2 1 234.347 1.711 20 0 BDADMP Cc1cc(C[NH2+][C@H](C)C[NH3+])ccc1-n1cncn1 ZINC000414937802 491114346 /nfs/dbraw/zinc/11/43/46/491114346.db2.gz XHKWBOLMIJCRRZ-LLVKDONJSA-N 2 1 245.330 1.013 20 0 BDADMP Cc1ncccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309283214 491147057 /nfs/dbraw/zinc/14/70/57/491147057.db2.gz UTDCYTAAXSJGBB-STQMWFEESA-N 2 1 217.316 1.041 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000310122021 491160443 /nfs/dbraw/zinc/16/04/43/491160443.db2.gz BTTCCSJWMOQPMA-OLZOCXBDSA-N 2 1 237.347 1.739 20 0 BDADMP CCOc1ccccc1C[N@H+](C)CCC[NH3+] ZINC000227741981 535505518 /nfs/dbraw/zinc/50/55/18/535505518.db2.gz ALWLDYLPFXMLJI-UHFFFAOYSA-N 2 1 222.332 1.866 20 0 BDADMP CCOc1ccccc1C[N@@H+](C)CCC[NH3+] ZINC000227741981 535505525 /nfs/dbraw/zinc/50/55/25/535505525.db2.gz ALWLDYLPFXMLJI-UHFFFAOYSA-N 2 1 222.332 1.866 20 0 BDADMP C[C@H]([NH2+]CCC1(O)CCC1)[C@H]1CCC[NH2+]1 ZINC000400448397 533840645 /nfs/dbraw/zinc/84/06/45/533840645.db2.gz QHDJEVKKEQDHHN-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000261540336 535609845 /nfs/dbraw/zinc/60/98/45/535609845.db2.gz GEOBDGDGPOUKDN-DGCLKSJQSA-N 2 1 236.363 1.462 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000261540336 535609852 /nfs/dbraw/zinc/60/98/52/535609852.db2.gz GEOBDGDGPOUKDN-DGCLKSJQSA-N 2 1 236.363 1.462 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)nc1 ZINC000400821513 534067859 /nfs/dbraw/zinc/06/78/59/534067859.db2.gz FQQYERDDISEERO-LBPRGKRZSA-N 2 1 219.332 1.479 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261533656 535834222 /nfs/dbraw/zinc/83/42/22/535834222.db2.gz JJWPHLROIHTELN-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000249836980 536344992 /nfs/dbraw/zinc/34/49/92/536344992.db2.gz FOOXSFOPTQIELE-XQQFMLRXSA-N 2 1 224.348 1.238 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400718404 527815517 /nfs/dbraw/zinc/81/55/17/527815517.db2.gz NSQCTRMRPMOITA-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173786814 536525044 /nfs/dbraw/zinc/52/50/44/536525044.db2.gz BBHBRXFIWVQHJE-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000304052644 529216568 /nfs/dbraw/zinc/21/65/68/529216568.db2.gz LHLQBZMMIJVXJN-JTQLQIEISA-N 2 1 226.368 1.370 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216728 535010381 /nfs/dbraw/zinc/01/03/81/535010381.db2.gz HEMRIYBLRMTAMZ-OLZOCXBDSA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631302 535078873 /nfs/dbraw/zinc/07/88/73/535078873.db2.gz ABHMXALCWMQVBN-QWHCGFSZSA-N 2 1 210.365 1.964 20 0 BDADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000251413591 535312956 /nfs/dbraw/zinc/31/29/56/535312956.db2.gz OJQAHQHCXQZMPK-BFHYXJOUSA-N 2 1 241.423 1.680 20 0 BDADMP CCOCC[N@@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261534162 535585822 /nfs/dbraw/zinc/58/58/22/535585822.db2.gz NSWIHJXJOAPJLB-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C(C)C ZINC000167203039 535653875 /nfs/dbraw/zinc/65/38/75/535653875.db2.gz YGLKODRVZILGKG-VXGBXAGGSA-N 2 1 243.395 1.206 20 0 BDADMP CCSCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252696685 535684971 /nfs/dbraw/zinc/68/49/71/535684971.db2.gz BUYKMHWTIYKDDE-ZJUUUORDSA-N 2 1 202.367 1.409 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091297 535813628 /nfs/dbraw/zinc/81/36/28/535813628.db2.gz NETAXUXTSYKSQU-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091297 535813629 /nfs/dbraw/zinc/81/36/29/535813629.db2.gz NETAXUXTSYKSQU-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091297 535813630 /nfs/dbraw/zinc/81/36/30/535813630.db2.gz NETAXUXTSYKSQU-JHJVBQTASA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249309649 536002893 /nfs/dbraw/zinc/00/28/93/536002893.db2.gz DNJLPYQXCCNXQR-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703315 536098742 /nfs/dbraw/zinc/09/87/42/536098742.db2.gz UJDVILIIVPKLJE-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP C[N@@H+](CCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000258773049 536322895 /nfs/dbraw/zinc/32/28/95/536322895.db2.gz BCVNVAAXGHYJBC-LBPRGKRZSA-N 2 1 214.353 1.208 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000227745532 536342378 /nfs/dbraw/zinc/34/23/78/536342378.db2.gz WPXPKEXSJKMIPW-CQSZACIVSA-N 2 1 218.344 1.825 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000087668001 536344089 /nfs/dbraw/zinc/34/40/89/536344089.db2.gz OHNPZMAAKNXVBN-LLVKDONJSA-N 2 1 214.378 1.566 20 0 BDADMP C[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250634378 536345520 /nfs/dbraw/zinc/34/55/20/536345520.db2.gz RUJRPWLDIOLMRT-KGLIPLIRSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250634378 536345522 /nfs/dbraw/zinc/34/55/22/536345522.db2.gz RUJRPWLDIOLMRT-KGLIPLIRSA-N 2 1 237.391 1.297 20 0 BDADMP CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250634378 536345525 /nfs/dbraw/zinc/34/55/25/536345525.db2.gz RUJRPWLDIOLMRT-KGLIPLIRSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261530831 536362644 /nfs/dbraw/zinc/36/26/44/536362644.db2.gz DGHJGBNOKDFKNO-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261530831 536362646 /nfs/dbraw/zinc/36/26/46/536362646.db2.gz DGHJGBNOKDFKNO-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[N@@H+](CCN1CC[NH2+]CC1)C(C1CC1)C1CC1 ZINC000261553325 536373107 /nfs/dbraw/zinc/37/31/07/536373107.db2.gz NWZVNURUQNMVLC-UHFFFAOYSA-N 2 1 237.391 1.012 20 0 BDADMP C[NH2+][C@H]1CCCN(CCCn2cc[nH+]c2C)C1 ZINC000348745396 536412147 /nfs/dbraw/zinc/41/21/47/536412147.db2.gz DLMAGTLOAHULNA-ZDUSSCGKSA-N 2 1 236.363 1.265 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261563700 536691507 /nfs/dbraw/zinc/69/15/07/536691507.db2.gz XELDUGADKPBUDI-GXFFZTMASA-N 2 1 235.331 1.320 20 0 BDADMP COCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336038717 536878576 /nfs/dbraw/zinc/87/85/76/536878576.db2.gz KIVPSUOQGGIVOK-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP COCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336038717 536878579 /nfs/dbraw/zinc/87/85/79/536878579.db2.gz KIVPSUOQGGIVOK-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP COCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336038717 536878584 /nfs/dbraw/zinc/87/85/84/536878584.db2.gz KIVPSUOQGGIVOK-GFCCVEGCSA-N 2 1 212.337 1.051 20 0 BDADMP COC(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185207651 536887688 /nfs/dbraw/zinc/88/76/88/536887688.db2.gz CLACPBVLBPQBOX-UHFFFAOYSA-N 2 1 237.347 1.662 20 0 BDADMP C[NH+]1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000129290964 582715292 /nfs/dbraw/zinc/71/52/92/582715292.db2.gz HONDJCRWVURDRB-UHFFFAOYSA-N 2 1 242.310 1.923 20 0 BDADMP C[C@@H]1CSCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892046102 582771300 /nfs/dbraw/zinc/77/13/00/582771300.db2.gz NLMGGZFYDFLLBC-LLVKDONJSA-N 2 1 228.405 1.766 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000892106097 582792751 /nfs/dbraw/zinc/79/27/51/582792751.db2.gz UERFTPMHVMVODW-AWEZNQCLSA-N 2 1 238.375 1.439 20 0 BDADMP C[C@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000848986960 582817824 /nfs/dbraw/zinc/81/78/24/582817824.db2.gz BREVXVCFWDEHMO-VXGBXAGGSA-N 2 1 238.379 1.337 20 0 BDADMP Cc1ccc(CNC(=[NH2+])NC[C@@H](C)[NH+](C)C)cc1 ZINC000848996634 582821127 /nfs/dbraw/zinc/82/11/27/582821127.db2.gz LJFPPFGVVZHLJO-GFCCVEGCSA-N 2 1 248.374 1.559 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H](C)COC(C)=O ZINC000893321644 583100333 /nfs/dbraw/zinc/10/03/33/583100333.db2.gz FQYYPLHKYQENBA-LLVKDONJSA-N 2 1 230.352 1.260 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857087559 588887141 /nfs/dbraw/zinc/88/71/41/588887141.db2.gz UKRQEVATEPUGQP-KBPBESRZSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857087559 588887142 /nfs/dbraw/zinc/88/71/42/588887142.db2.gz UKRQEVATEPUGQP-KBPBESRZSA-N 2 1 239.407 1.709 20 0 BDADMP N[C@]12CCC[C@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000857087559 588887143 /nfs/dbraw/zinc/88/71/43/588887143.db2.gz UKRQEVATEPUGQP-KBPBESRZSA-N 2 1 239.407 1.709 20 0 BDADMP N[C@]12CCC[C@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000857087559 588887144 /nfs/dbraw/zinc/88/71/44/588887144.db2.gz UKRQEVATEPUGQP-KBPBESRZSA-N 2 1 239.407 1.709 20 0 BDADMP CC[C@]1(CO)CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893908205 583248841 /nfs/dbraw/zinc/24/88/41/583248841.db2.gz OXGSGIRDXYJAQT-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H]1COC(C)(C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000894010019 583271457 /nfs/dbraw/zinc/27/14/57/583271457.db2.gz RGXOYKOJAZPFFJ-LBPRGKRZSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894377756 583442118 /nfs/dbraw/zinc/44/21/18/583442118.db2.gz FWZZOIKECRLHAT-ZIAGYGMSSA-N 2 1 239.407 1.260 20 0 BDADMP Cc1cc(N)nc(NC[C@H]2CC[N@@H+]2C(C)(C)C)[nH+]1 ZINC000894475961 583470043 /nfs/dbraw/zinc/47/00/43/583470043.db2.gz LEXVZNRYPYLUAO-SNVBAGLBSA-N 2 1 249.362 1.652 20 0 BDADMP Cc1cc(N)nc(NC[C@H]2CC[N@H+]2C(C)(C)C)[nH+]1 ZINC000894475961 583470045 /nfs/dbraw/zinc/47/00/45/583470045.db2.gz LEXVZNRYPYLUAO-SNVBAGLBSA-N 2 1 249.362 1.652 20 0 BDADMP COC[C@@]1(C)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894671742 583504120 /nfs/dbraw/zinc/50/41/20/583504120.db2.gz QOOCYUYKELQHHD-AWEZNQCLSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@@H+](CCCC[NH2+]Cc1cnc[nH]1)C1CC1 ZINC000894968000 583560646 /nfs/dbraw/zinc/56/06/46/583560646.db2.gz RYEOOIVKXXHBJW-UHFFFAOYSA-N 2 1 222.336 1.374 20 0 BDADMP C[N@H+](CCCC[NH2+]Cc1c[nH]cn1)C1CC1 ZINC000894968000 583560647 /nfs/dbraw/zinc/56/06/47/583560647.db2.gz RYEOOIVKXXHBJW-UHFFFAOYSA-N 2 1 222.336 1.374 20 0 BDADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]cn1)C1CC1 ZINC000894968000 583560650 /nfs/dbraw/zinc/56/06/50/583560650.db2.gz RYEOOIVKXXHBJW-UHFFFAOYSA-N 2 1 222.336 1.374 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1COCC1(C)C)C1CC1 ZINC000894968666 583560703 /nfs/dbraw/zinc/56/07/03/583560703.db2.gz WYYFUWLSSRFNCG-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3CO)CC[C@@H]21 ZINC000895022065 583569520 /nfs/dbraw/zinc/56/95/20/583569520.db2.gz JYDGGGJQCVRBSZ-AAEUAGOBSA-N 2 1 247.342 1.104 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857851942 588912733 /nfs/dbraw/zinc/91/27/33/588912733.db2.gz SSLHKWCLQIUOKW-LBPRGKRZSA-N 2 1 236.363 1.719 20 0 BDADMP Cc1ccnc(N)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC000895151626 583607051 /nfs/dbraw/zinc/60/70/51/583607051.db2.gz VIKZGYKVWVRJMZ-SNVBAGLBSA-N 2 1 223.295 1.906 20 0 BDADMP Cc1ccnc(N)c1C[N@H+]1CCC[C@@H](F)C1 ZINC000895151626 583607052 /nfs/dbraw/zinc/60/70/52/583607052.db2.gz VIKZGYKVWVRJMZ-SNVBAGLBSA-N 2 1 223.295 1.906 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC3(COC3)C2)CC1 ZINC000895451045 583676550 /nfs/dbraw/zinc/67/65/50/583676550.db2.gz SCOAUXALXKJPAO-UHFFFAOYSA-N 2 1 224.348 1.051 20 0 BDADMP CCO[C@@H](CNc1cccc(C)[nH+]1)C[NH+](C)C ZINC000896118234 583772170 /nfs/dbraw/zinc/77/21/70/583772170.db2.gz XUUGWMBVWKGRAE-LBPRGKRZSA-N 2 1 237.347 1.769 20 0 BDADMP CO[C@@H](CNCc1cc(N(C)C)cc[nH+]1)C1CC1 ZINC000896299187 583789675 /nfs/dbraw/zinc/78/96/75/583789675.db2.gz VRWLEKRFPFPJTI-AWEZNQCLSA-N 2 1 249.358 1.662 20 0 BDADMP C[C@H]1[C@H](NCc2cnn(C)c2C2CC2)CC[N@@H+]1C ZINC000896555020 583812202 /nfs/dbraw/zinc/81/22/02/583812202.db2.gz WQJKMFCYOKIDKA-GXFFZTMASA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H]1[C@H](NCc2cnn(C)c2C2CC2)CC[N@H+]1C ZINC000896555020 583812203 /nfs/dbraw/zinc/81/22/03/583812203.db2.gz WQJKMFCYOKIDKA-GXFFZTMASA-N 2 1 248.374 1.480 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C[C@@H]1[NH3+] ZINC000883442924 583816212 /nfs/dbraw/zinc/81/62/12/583816212.db2.gz VZJLSUWDAUBOLH-VHSXEESVSA-N 2 1 239.750 1.950 20 0 BDADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000858099221 588932714 /nfs/dbraw/zinc/93/27/14/588932714.db2.gz UXHUBPFNLVCLJU-STQMWFEESA-N 2 1 249.333 1.937 20 0 BDADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000858099221 588932715 /nfs/dbraw/zinc/93/27/15/588932715.db2.gz UXHUBPFNLVCLJU-STQMWFEESA-N 2 1 249.333 1.937 20 0 BDADMP C[C@@H](CCCCO)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000393737187 583920256 /nfs/dbraw/zinc/92/02/56/583920256.db2.gz AQGKRUYKHZHLNT-LBPRGKRZSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@H]1CCC[N@@H+](CCNc2cc[nH+]c(CO)c2)C1 ZINC000858349620 588948456 /nfs/dbraw/zinc/94/84/56/588948456.db2.gz MKDFBWCTLIDLFV-LBPRGKRZSA-N 2 1 249.358 1.718 20 0 BDADMP CC[C@H]1CCN(C(=[NH2+])NC[C@H](C)[NH+](C)C)C1 ZINC000864456424 584005892 /nfs/dbraw/zinc/00/58/92/584005892.db2.gz IMTZMPYQZNSYGF-QWRGUYRKSA-N 2 1 226.368 1.193 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCSC3)C[C@]2(C)C1 ZINC000897620735 584032867 /nfs/dbraw/zinc/03/28/67/584032867.db2.gz XXSGSXAWEIAONH-UPJWGTAASA-N 2 1 240.416 1.623 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCSC3)C[C@]2(C)C1 ZINC000897620735 584032869 /nfs/dbraw/zinc/03/28/69/584032869.db2.gz XXSGSXAWEIAONH-UPJWGTAASA-N 2 1 240.416 1.623 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCSC3)C[C@]2(C)C1 ZINC000897620735 584032871 /nfs/dbraw/zinc/03/28/71/584032871.db2.gz XXSGSXAWEIAONH-UPJWGTAASA-N 2 1 240.416 1.623 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC23CC(O)C3)CC1(C)C ZINC000897840928 584053330 /nfs/dbraw/zinc/05/33/30/584053330.db2.gz JORIJCPRGBQJCO-ATWGWHJKSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC(O)C3)CC1(C)C ZINC000897840934 584053657 /nfs/dbraw/zinc/05/36/57/584053657.db2.gz JORIJCPRGBQJCO-WDBLDGLGSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)CC[N@H+]1C ZINC000858423317 588953148 /nfs/dbraw/zinc/95/31/48/588953148.db2.gz CRWQHHQKAJDRRW-PWSUYJOCSA-N 2 1 235.331 1.469 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C2CC(CCO)C2)CC1(C)C ZINC000898016258 584074911 /nfs/dbraw/zinc/07/49/11/584074911.db2.gz ZPFGJXDXOUUAGC-OTTFEQOBSA-N 2 1 240.391 1.610 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC000898381480 584113926 /nfs/dbraw/zinc/11/39/26/584113926.db2.gz HHTKYFWCEHNJDS-ZIAGYGMSSA-N 2 1 238.375 1.485 20 0 BDADMP C([N@@H+]1CC[C@H]2CSC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000873222084 584127279 /nfs/dbraw/zinc/12/72/79/584127279.db2.gz YYCRTFLWHYQTOZ-CMOBGSAGSA-N 2 1 238.400 1.423 20 0 BDADMP C([N@H+]1CC[C@H]2CSC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000873222084 584127280 /nfs/dbraw/zinc/12/72/80/584127280.db2.gz YYCRTFLWHYQTOZ-CMOBGSAGSA-N 2 1 238.400 1.423 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858490083 588960256 /nfs/dbraw/zinc/96/02/56/588960256.db2.gz AXOUBGPBPJTZEJ-VXGBXAGGSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H](NC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000899267645 584193073 /nfs/dbraw/zinc/19/30/73/584193073.db2.gz RAKJFNDXXCNUQQ-WDEREUQCSA-N 2 1 238.379 1.241 20 0 BDADMP O=C(NCc1c[nH]cn1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900780815 584350419 /nfs/dbraw/zinc/35/04/19/584350419.db2.gz NVWPGJSHAQOXED-NWDGAFQWSA-N 2 1 248.330 1.043 20 0 BDADMP O=C(NCc1cnc[nH]1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900780815 584350423 /nfs/dbraw/zinc/35/04/23/584350423.db2.gz NVWPGJSHAQOXED-NWDGAFQWSA-N 2 1 248.330 1.043 20 0 BDADMP O=C(NCc1cnc[nH]1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900780815 584350424 /nfs/dbraw/zinc/35/04/24/584350424.db2.gz NVWPGJSHAQOXED-NWDGAFQWSA-N 2 1 248.330 1.043 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394997 584584709 /nfs/dbraw/zinc/58/47/09/584584709.db2.gz ZNYMLIHQZSLLMS-AGIUHOORSA-N 3 1 239.407 1.352 20 0 BDADMP COCC1CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902404385 584589136 /nfs/dbraw/zinc/58/91/36/584589136.db2.gz DYUFRLMAQPMXCA-UHFFFAOYSA-N 2 1 212.337 1.273 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902431211 584595369 /nfs/dbraw/zinc/59/53/69/584595369.db2.gz SIXFQGOCRQURIU-RFGFWPKPSA-N 2 1 240.391 1.515 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000902414515 584600473 /nfs/dbraw/zinc/60/04/73/584600473.db2.gz CEFGVUKRVXARAB-CYBMUJFWSA-N 2 1 216.328 1.625 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC2(C)C)[C@H](C)C1 ZINC000902447802 584604759 /nfs/dbraw/zinc/60/47/59/584604759.db2.gz VVJSTBOJIUJOHJ-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCCC[NH2+]1 ZINC000902454724 584608610 /nfs/dbraw/zinc/60/86/10/584608610.db2.gz UIQPQOBZIZAJEH-DIVMYUDWSA-N 2 1 236.359 1.282 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902458665 584610673 /nfs/dbraw/zinc/61/06/73/584610673.db2.gz XEXZINBMOYURHX-LBELIVKGSA-N 2 1 208.349 1.763 20 0 BDADMP Cn1cnc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000902461714 584611847 /nfs/dbraw/zinc/61/18/47/584611847.db2.gz QARFTRPXSBMDLF-WDEREUQCSA-N 2 1 236.363 1.416 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000902464264 584613555 /nfs/dbraw/zinc/61/35/55/584613555.db2.gz AWJMYYYNLJTCQN-RYMFRWLXSA-N 2 1 238.375 1.673 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCCC1 ZINC000902466244 584613809 /nfs/dbraw/zinc/61/38/09/584613809.db2.gz KYLLOXHYJFFDQL-RQJABVFESA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000902471232 584616211 /nfs/dbraw/zinc/61/62/11/584616211.db2.gz KQBDHXUECULBAZ-YBXAARCKSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000902471230 584616386 /nfs/dbraw/zinc/61/63/86/584616386.db2.gz KQBDHXUECULBAZ-KKJSVHSVSA-N 2 1 210.321 1.036 20 0 BDADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470390 584616916 /nfs/dbraw/zinc/61/69/16/584616916.db2.gz WIEBLKPKJPFEFO-DGAVXFQQSA-N 2 1 248.374 1.390 20 0 BDADMP C[C@H]([NH2+]CC[C@H](O)C1CC1)c1c[nH+]ccc1N ZINC000902502916 584620695 /nfs/dbraw/zinc/62/06/95/584620695.db2.gz HKVOAUGYWLVKOK-ZANVPECISA-N 2 1 235.331 1.306 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482995 584623984 /nfs/dbraw/zinc/62/39/84/584623984.db2.gz ONEYNNYPFQHRFV-TUAOUCFPSA-N 2 1 214.353 1.532 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482994 584624230 /nfs/dbraw/zinc/62/42/30/584624230.db2.gz ONEYNNYPFQHRFV-QJPTWQEYSA-N 2 1 214.353 1.532 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000902514002 584629509 /nfs/dbraw/zinc/62/95/09/584629509.db2.gz KDHPJLXWYLMSIG-XQQFMLRXSA-N 2 1 229.412 1.678 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C/C=C\Cl ZINC000902518136 584630823 /nfs/dbraw/zinc/63/08/23/584630823.db2.gz KXCQDYQBPHESMJ-UFUMDNBCSA-N 2 1 202.729 1.989 20 0 BDADMP CCn1cc(C[NH2+]CCc2c[nH+]cn2C)c(C)n1 ZINC000902621332 584644645 /nfs/dbraw/zinc/64/46/45/584644645.db2.gz FSISXKZDEOWOOE-UHFFFAOYSA-N 2 1 247.346 1.277 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cccc(O)c1 ZINC000903431027 584761383 /nfs/dbraw/zinc/76/13/83/584761383.db2.gz DGGJIYJOIPXMQQ-YPMHNXCESA-N 2 1 234.343 1.680 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cccc(O)c1 ZINC000903431027 584761384 /nfs/dbraw/zinc/76/13/84/584761384.db2.gz DGGJIYJOIPXMQQ-YPMHNXCESA-N 2 1 234.343 1.680 20 0 BDADMP COC[C@H](C[NH2+][C@](C)(C[NH3+])C(C)C)C(C)C ZINC000903427620 584761574 /nfs/dbraw/zinc/76/15/74/584761574.db2.gz ZNNRSCYNXGBOOY-QWHCGFSZSA-N 2 1 230.396 1.868 20 0 BDADMP c1c[nH+]c(C2CCN(C[C@H]3CCC[NH2+]3)CC2)[nH]1 ZINC000903441802 584767526 /nfs/dbraw/zinc/76/75/26/584767526.db2.gz BGDRREHHUMJGHZ-GFCCVEGCSA-N 2 1 234.347 1.341 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000903444279 584769160 /nfs/dbraw/zinc/76/91/60/584769160.db2.gz RMRDDTQAAUVAHF-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000903444728 584769481 /nfs/dbraw/zinc/76/94/81/584769481.db2.gz VMXGHARJWKZLER-MQYQWHSLSA-N 2 1 239.407 1.256 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)C1 ZINC000903446062 584770337 /nfs/dbraw/zinc/77/03/37/584770337.db2.gz RZQNTDXSOONIND-PJIALRRASA-N 3 1 237.391 1.458 20 0 BDADMP [NH3+][C@@H]1CC[C@H](CN2[C@@H]3CCC[C@H]2CC([NH3+])C3)C1 ZINC000903446062 584770338 /nfs/dbraw/zinc/77/03/38/584770338.db2.gz RZQNTDXSOONIND-PJIALRRASA-N 2 1 237.391 1.458 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOC1CC1 ZINC000903455086 584773183 /nfs/dbraw/zinc/77/31/83/584773183.db2.gz PNYUIERNZNIEQR-JTQLQIEISA-N 2 1 200.326 1.128 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1ccccn1)C1CC1 ZINC000903454732 584773229 /nfs/dbraw/zinc/77/32/29/584773229.db2.gz IRZBWSAWEROVBP-OLZOCXBDSA-N 2 1 245.370 1.902 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000903454732 584773231 /nfs/dbraw/zinc/77/32/31/584773231.db2.gz IRZBWSAWEROVBP-OLZOCXBDSA-N 2 1 245.370 1.902 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454829 584773422 /nfs/dbraw/zinc/77/34/22/584773422.db2.gz KETUXBGZZKQRQW-NJMOYASZSA-N 3 1 225.380 1.090 20 0 BDADMP C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OC1CC1 ZINC000903454450 584773464 /nfs/dbraw/zinc/77/34/64/584773464.db2.gz ZWSXQYQELAFJEZ-JSGCOSHPSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1ccns1 ZINC000903455317 584774173 /nfs/dbraw/zinc/77/41/73/584774173.db2.gz UBEGBVONHFXJMH-JTQLQIEISA-N 2 1 227.377 1.649 20 0 BDADMP C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000903471865 584775312 /nfs/dbraw/zinc/77/53/12/584775312.db2.gz VDYKPXCIRLTZDK-STQMWFEESA-N 2 1 237.391 1.250 20 0 BDADMP c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)nc1 ZINC000903471938 584775511 /nfs/dbraw/zinc/77/55/11/584775511.db2.gz WWNMGQAILIOGBJ-CYBMUJFWSA-N 2 1 231.343 1.498 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903475808 584776990 /nfs/dbraw/zinc/77/69/90/584776990.db2.gz DOZRYABQHGNLPK-MROQNXINSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903475808 584776991 /nfs/dbraw/zinc/77/69/91/584776991.db2.gz DOZRYABQHGNLPK-MROQNXINSA-N 2 1 208.349 1.859 20 0 BDADMP COCC1([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCC1 ZINC000903482451 584778556 /nfs/dbraw/zinc/77/85/56/584778556.db2.gz IIFKRRYHNJOLKJ-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)C[C@H]1CC[NH3+] ZINC000903500343 584780152 /nfs/dbraw/zinc/78/01/52/584780152.db2.gz XSTRUEKGXUNXEZ-ZYHUDNBSSA-N 2 1 234.347 1.081 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903491074 584780862 /nfs/dbraw/zinc/78/08/62/584780862.db2.gz UIWLVYIZRVZYCC-MRVPVSSYSA-N 2 1 240.244 1.702 20 0 BDADMP C[NH2+]C[C@@H]1CCCCN1CCc1c[nH+]cn1C ZINC000903527403 584781637 /nfs/dbraw/zinc/78/16/37/584781637.db2.gz YGQZOYCGEXSTLO-ZDUSSCGKSA-N 2 1 236.363 1.037 20 0 BDADMP Cn1ccc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903564447 584782316 /nfs/dbraw/zinc/78/23/16/584782316.db2.gz VESXEJAJHDNAAO-OLZOCXBDSA-N 2 1 248.374 1.209 20 0 BDADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1N ZINC000903557934 584782815 /nfs/dbraw/zinc/78/28/15/584782815.db2.gz IEUNUDNOFFPUMZ-LBPRGKRZSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)CN(CCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903557934 584782817 /nfs/dbraw/zinc/78/28/17/584782817.db2.gz IEUNUDNOFFPUMZ-LBPRGKRZSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903557934 584782819 /nfs/dbraw/zinc/78/28/19/584782819.db2.gz IEUNUDNOFFPUMZ-LBPRGKRZSA-N 3 1 225.380 1.045 20 0 BDADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903557934 584782820 /nfs/dbraw/zinc/78/28/20/584782820.db2.gz IEUNUDNOFFPUMZ-LBPRGKRZSA-N 3 1 225.380 1.045 20 0 BDADMP CCOC(=O)CCCC[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000903558071 584782824 /nfs/dbraw/zinc/78/28/24/584782824.db2.gz UAWTXRCLDXCAAT-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP CCOC(=O)CCCC[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000903558071 584782826 /nfs/dbraw/zinc/78/28/26/584782826.db2.gz UAWTXRCLDXCAAT-NSHDSACASA-N 2 1 242.363 1.389 20 0 BDADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903717951 584792223 /nfs/dbraw/zinc/79/22/23/584792223.db2.gz GKDUGBOBMJOXBM-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903717551 584792267 /nfs/dbraw/zinc/79/22/67/584792267.db2.gz ROUROUUMKJIFMA-MGPQQGTHSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903727359 584792935 /nfs/dbraw/zinc/79/29/35/584792935.db2.gz SWBSTAGQSPXHFG-AGIUHOORSA-N 2 1 224.348 1.097 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000903728882 584793218 /nfs/dbraw/zinc/79/32/18/584793218.db2.gz GRVWHFGIPWIJFP-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715871 584794344 /nfs/dbraw/zinc/79/43/44/584794344.db2.gz BBDQNLABSKWBAP-BFHYXJOUSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715871 584794345 /nfs/dbraw/zinc/79/43/45/584794345.db2.gz BBDQNLABSKWBAP-BFHYXJOUSA-N 3 1 239.407 1.435 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903749902 584795038 /nfs/dbraw/zinc/79/50/38/584795038.db2.gz RWIYYNXHZFERBV-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903749902 584795040 /nfs/dbraw/zinc/79/50/40/584795040.db2.gz RWIYYNXHZFERBV-KGLIPLIRSA-N 3 1 239.407 1.579 20 0 BDADMP CC1CC(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903751846 584795544 /nfs/dbraw/zinc/79/55/44/584795544.db2.gz NBPBRNOKDPYKAS-IFWUJCSASA-N 2 1 208.349 1.716 20 0 BDADMP CC1CC(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903751846 584795546 /nfs/dbraw/zinc/79/55/46/584795546.db2.gz NBPBRNOKDPYKAS-IFWUJCSASA-N 2 1 208.349 1.716 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC000903752956 584796266 /nfs/dbraw/zinc/79/62/66/584796266.db2.gz QOHGOCJTIZQGFG-QWHCGFSZSA-N 3 1 239.407 1.354 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903744385 584796488 /nfs/dbraw/zinc/79/64/88/584796488.db2.gz RMSZICUPDYYZBQ-WXRRBKDZSA-N 2 1 208.349 1.718 20 0 BDADMP CC1CC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000903781478 584799692 /nfs/dbraw/zinc/79/96/92/584799692.db2.gz RMUWTTWWRYISFL-FIYWTHMPSA-N 2 1 208.349 1.859 20 0 BDADMP CC1CC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000903781478 584799693 /nfs/dbraw/zinc/79/96/93/584799693.db2.gz RMUWTTWWRYISFL-FIYWTHMPSA-N 2 1 208.349 1.859 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCOC1CC1 ZINC000903806301 584802869 /nfs/dbraw/zinc/80/28/69/584802869.db2.gz UXDCOWGTYDFFBV-YPMHNXCESA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCOC1CC1 ZINC000903806301 584802871 /nfs/dbraw/zinc/80/28/71/584802871.db2.gz UXDCOWGTYDFFBV-YPMHNXCESA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]CCC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903825704 584804711 /nfs/dbraw/zinc/80/47/11/584804711.db2.gz CPSLQPLZJGPEMU-NSHDSACASA-N 2 1 214.378 1.553 20 0 BDADMP C[C@H]1CCOCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903831646 584806109 /nfs/dbraw/zinc/80/61/09/584806109.db2.gz LTDIPFAPBOJFLN-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CCOCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000903831904 584806140 /nfs/dbraw/zinc/80/61/40/584806140.db2.gz NKNYWHYYQUMQLB-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1CCOCC[N@H+]1CCC[NH2+]C1CC1 ZINC000903831904 584806142 /nfs/dbraw/zinc/80/61/42/584806142.db2.gz NKNYWHYYQUMQLB-LLVKDONJSA-N 2 1 212.337 1.239 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOC(F)F)C2 ZINC000903838845 584807266 /nfs/dbraw/zinc/80/72/66/584807266.db2.gz FYXAIKAZENUFBQ-CIUDSAMLSA-N 2 1 220.263 1.037 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@@H+]2CCc1cccnc1 ZINC000903856484 584809548 /nfs/dbraw/zinc/80/95/48/584809548.db2.gz REQAOGBXKBFHIH-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP NC[C@]12CC[C@H]1CC[N@H+]2CCc1cccnc1 ZINC000903856484 584809549 /nfs/dbraw/zinc/80/95/49/584809549.db2.gz REQAOGBXKBFHIH-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCc1cccnc1 ZINC000903856484 584809550 /nfs/dbraw/zinc/80/95/50/584809550.db2.gz REQAOGBXKBFHIH-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCc1cccnc1 ZINC000903856484 584809551 /nfs/dbraw/zinc/80/95/51/584809551.db2.gz REQAOGBXKBFHIH-UONOGXRCSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCCCCO ZINC000903857446 584809943 /nfs/dbraw/zinc/80/99/43/584809943.db2.gz VHJLBKXALSRGQB-OLZOCXBDSA-N 2 1 226.364 1.352 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCCCCO ZINC000903857446 584809944 /nfs/dbraw/zinc/80/99/44/584809944.db2.gz VHJLBKXALSRGQB-OLZOCXBDSA-N 2 1 226.364 1.352 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCc1ccncc1 ZINC000903859323 584811025 /nfs/dbraw/zinc/81/10/25/584811025.db2.gz MIAHNUDWXUYLIU-HUUCEWRRSA-N 2 1 245.370 1.827 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCc1ccncc1 ZINC000903859323 584811026 /nfs/dbraw/zinc/81/10/26/584811026.db2.gz MIAHNUDWXUYLIU-HUUCEWRRSA-N 2 1 245.370 1.827 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CCC1 ZINC000903859845 584811064 /nfs/dbraw/zinc/81/10/64/584811064.db2.gz OZQYDALPEKYYTA-BFHYXJOUSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CCC1 ZINC000903859845 584811065 /nfs/dbraw/zinc/81/10/65/584811065.db2.gz OZQYDALPEKYYTA-BFHYXJOUSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC000903859216 584811350 /nfs/dbraw/zinc/81/13/50/584811350.db2.gz LOUHLWAWIXDPBH-XJFOESAGSA-N 2 1 236.359 1.226 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC000903859216 584811351 /nfs/dbraw/zinc/81/13/51/584811351.db2.gz LOUHLWAWIXDPBH-XJFOESAGSA-N 2 1 236.359 1.226 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903860990 584812473 /nfs/dbraw/zinc/81/24/73/584812473.db2.gz VERDMQJFKHRPRN-WUHRBBMRSA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903860990 584812474 /nfs/dbraw/zinc/81/24/74/584812474.db2.gz VERDMQJFKHRPRN-WUHRBBMRSA-N 2 1 224.348 1.225 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1CCC1 ZINC000903869318 584814594 /nfs/dbraw/zinc/81/45/94/584814594.db2.gz GWYRBYLOPWVHGK-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CCC1 ZINC000903869318 584814596 /nfs/dbraw/zinc/81/45/96/584814596.db2.gz GWYRBYLOPWVHGK-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903871960 584815212 /nfs/dbraw/zinc/81/52/12/584815212.db2.gz UIPBLFCZWNWINV-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903915304 584821486 /nfs/dbraw/zinc/82/14/86/584821486.db2.gz AEZPUEMBNUESOE-OAHLLOKOSA-N 3 1 247.386 1.405 20 0 BDADMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903913643 584822393 /nfs/dbraw/zinc/82/23/93/584822393.db2.gz QNMURLLAADYNHU-RISCZKNCSA-N 2 1 246.354 1.287 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903918796 584823246 /nfs/dbraw/zinc/82/32/46/584823246.db2.gz IHFUZGCWSSJSJI-ZDUSSCGKSA-N 3 1 233.359 1.159 20 0 BDADMP [NH3+][C@@H](C[NH2+]CCc1ccccc1)CC(F)F ZINC000903923556 584823596 /nfs/dbraw/zinc/82/35/96/584823596.db2.gz XASGFAZNEYLYAB-LLVKDONJSA-N 2 1 228.286 1.801 20 0 BDADMP C(N[C@]12CCC[C@H]1[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937136 584826288 /nfs/dbraw/zinc/82/62/88/584826288.db2.gz BYAHIAWSJNVMRW-ZKXZWOTCSA-N 2 1 249.402 1.391 20 0 BDADMP CCOc1cccc(C[NH2+]CCC(C)(C)[NH3+])n1 ZINC000903938748 584827100 /nfs/dbraw/zinc/82/71/00/584827100.db2.gz IYNPNANJYUGTDV-UHFFFAOYSA-N 2 1 237.347 1.697 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959909 584827410 /nfs/dbraw/zinc/82/74/10/584827410.db2.gz RPMCFGJTLHBBJR-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP CC[N@H+]1CC[C@@H](NCc2cc(N)cc[nH+]2)[C@H](C)C1 ZINC000903950162 584830868 /nfs/dbraw/zinc/83/08/68/584830868.db2.gz JBYQWMVQHAAIFU-BXUZGUMPSA-N 2 1 248.374 1.484 20 0 BDADMP Nc1ccnc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000903954778 584832036 /nfs/dbraw/zinc/83/20/36/584832036.db2.gz VJLBNYJVTFYQDH-ONGXEEELSA-N 2 1 220.320 1.023 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCSC1 ZINC000903963513 584833522 /nfs/dbraw/zinc/83/35/22/584833522.db2.gz ADJCVSZBZAPHHK-KXUCPTDWSA-N 2 1 200.351 1.080 20 0 BDADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964139 584833988 /nfs/dbraw/zinc/83/39/88/584833988.db2.gz MUXWEPAOLQIJAK-IJLUTSLNSA-N 2 1 214.353 1.245 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904302070 584861988 /nfs/dbraw/zinc/86/19/88/584861988.db2.gz UTIWNODWIWFPLO-SMDDNHRTSA-N 3 1 233.359 1.314 20 0 BDADMP CNC(=O)CC[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904316362 584862382 /nfs/dbraw/zinc/86/23/82/584862382.db2.gz MZLRXZXXTUCGKR-NSHDSACASA-N 2 1 243.395 1.208 20 0 BDADMP CNC(=O)CC[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904316362 584862383 /nfs/dbraw/zinc/86/23/83/584862383.db2.gz MZLRXZXXTUCGKR-NSHDSACASA-N 2 1 243.395 1.208 20 0 BDADMP CC(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904324552 584864527 /nfs/dbraw/zinc/86/45/27/584864527.db2.gz XYDAAVCNVZOJHJ-TUAOUCFPSA-N 2 1 240.347 1.140 20 0 BDADMP C[C@H](c1cccnc1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904330750 584865769 /nfs/dbraw/zinc/86/57/69/584865769.db2.gz BHQCWPGBTOXVQQ-WZRBSPASSA-N 2 1 219.332 1.812 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904329334 584866070 /nfs/dbraw/zinc/86/60/70/584866070.db2.gz WLHYNVGNDSUPJU-FRRDWIJNSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@H](O)C[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904335600 584866776 /nfs/dbraw/zinc/86/67/76/584866776.db2.gz GUVVMJINBJSBOC-QWRGUYRKSA-N 2 1 216.369 1.453 20 0 BDADMP C[C@H](O)C[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904335600 584866778 /nfs/dbraw/zinc/86/67/78/584866778.db2.gz GUVVMJINBJSBOC-QWRGUYRKSA-N 2 1 216.369 1.453 20 0 BDADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340923 584867371 /nfs/dbraw/zinc/86/73/71/584867371.db2.gz NZWRNMBHRPGALK-FVCCEPFGSA-N 2 1 226.364 1.349 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)[C@H](C)O1 ZINC000904345700 584868443 /nfs/dbraw/zinc/86/84/43/584868443.db2.gz IZMPNKNBJDHSEG-IIRVCBMXSA-N 2 1 212.337 1.221 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346569 584868656 /nfs/dbraw/zinc/86/86/56/584868656.db2.gz UFGAJKAFTLMTJX-JHJVBQTASA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)(C)CC[C@H](N)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000904354848 584870925 /nfs/dbraw/zinc/87/09/25/584870925.db2.gz JTCDUNRFUXVCLP-AGIUHOORSA-N 2 1 241.423 1.857 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000904354781 584870968 /nfs/dbraw/zinc/87/09/68/584870968.db2.gz GBUPOCJZDQZWKX-AWEZNQCLSA-N 2 1 247.386 1.623 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H](N)CCC(C)(C)C ZINC000904355644 584871483 /nfs/dbraw/zinc/87/14/83/584871483.db2.gz VMQWGJAUVVYOFF-NEPJUHHUSA-N 2 1 229.412 1.857 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000904372218 584873281 /nfs/dbraw/zinc/87/32/81/584873281.db2.gz ZSSIOLDTMIPQMQ-IUODEOHRSA-N 3 1 247.386 1.562 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904374930 584874478 /nfs/dbraw/zinc/87/44/78/584874478.db2.gz YLVKETCQDJEUMD-QJPTWQEYSA-N 3 1 213.369 1.092 20 0 BDADMP CC[N@H+](CCC(N)=O)C[C@H]([NH3+])CCC(C)(C)C ZINC000904388590 584874799 /nfs/dbraw/zinc/87/47/99/584874799.db2.gz LFPCHFCVPNSOAL-LLVKDONJSA-N 2 1 243.395 1.337 20 0 BDADMP CC[N@@H+](CCC(N)=O)C[C@H]([NH3+])CCC(C)(C)C ZINC000904388590 584874800 /nfs/dbraw/zinc/87/48/00/584874800.db2.gz LFPCHFCVPNSOAL-LLVKDONJSA-N 2 1 243.395 1.337 20 0 BDADMP C[C@@H](O)C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1CC1 ZINC000904377648 584875857 /nfs/dbraw/zinc/87/58/57/584875857.db2.gz VPGZBDCOJZEPPT-VXGBXAGGSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@@H](O)C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1CC1 ZINC000904377648 584875858 /nfs/dbraw/zinc/87/58/58/584875858.db2.gz VPGZBDCOJZEPPT-VXGBXAGGSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@H](O)C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1CC1 ZINC000904377647 584876373 /nfs/dbraw/zinc/87/63/73/584876373.db2.gz VPGZBDCOJZEPPT-RYUDHWBXSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1CC1 ZINC000904377647 584876374 /nfs/dbraw/zinc/87/63/74/584876374.db2.gz VPGZBDCOJZEPPT-RYUDHWBXSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1CO ZINC000904381588 584877485 /nfs/dbraw/zinc/87/74/85/584877485.db2.gz ZERDAMOKVKWUSE-MGPQQGTHSA-N 2 1 240.391 1.326 20 0 BDADMP CCOc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000904405667 584878749 /nfs/dbraw/zinc/87/87/49/584878749.db2.gz MHQLGHYYWCWWTA-LBPRGKRZSA-N 2 1 249.358 1.651 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)CC[C@@H]1C[NH3+] ZINC000904410919 584878878 /nfs/dbraw/zinc/87/88/78/584878878.db2.gz RSEHBIOTRIALNU-IUODEOHRSA-N 3 1 247.386 1.562 20 0 BDADMP CC(C)NC(=O)C[N@@H+](C)CCCCCCC[NH3+] ZINC000842471719 584897413 /nfs/dbraw/zinc/89/74/13/584897413.db2.gz VCNSULUNZWVWRM-UHFFFAOYSA-N 2 1 243.395 1.352 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCCCCO ZINC000842475403 584897928 /nfs/dbraw/zinc/89/79/28/584897928.db2.gz POGWRJZDCJEQBM-LLVKDONJSA-N 2 1 216.369 1.502 20 0 BDADMP CC[N@@H+](CCSC)C[C@@H](O)CN1CCCC1 ZINC000830993712 584908884 /nfs/dbraw/zinc/90/88/84/584908884.db2.gz ABUPPJUURNHWPU-GFCCVEGCSA-N 2 1 246.420 1.128 20 0 BDADMP CC[N@H+](CCSC)C[C@@H](O)C[NH+]1CCCC1 ZINC000830993712 584908885 /nfs/dbraw/zinc/90/88/85/584908885.db2.gz ABUPPJUURNHWPU-GFCCVEGCSA-N 2 1 246.420 1.128 20 0 BDADMP CC[N@@H+](CCSC)C[C@@H](O)C[NH+]1CCCC1 ZINC000830993712 584908886 /nfs/dbraw/zinc/90/88/86/584908886.db2.gz ABUPPJUURNHWPU-GFCCVEGCSA-N 2 1 246.420 1.128 20 0 BDADMP CC[N@@H+](CCSC)C[C@H](O)CN1CCCC1 ZINC000830993713 584908897 /nfs/dbraw/zinc/90/88/97/584908897.db2.gz ABUPPJUURNHWPU-LBPRGKRZSA-N 2 1 246.420 1.128 20 0 BDADMP CC[N@H+](CCSC)C[C@H](O)C[NH+]1CCCC1 ZINC000830993713 584908898 /nfs/dbraw/zinc/90/88/98/584908898.db2.gz ABUPPJUURNHWPU-LBPRGKRZSA-N 2 1 246.420 1.128 20 0 BDADMP CC[N@@H+](CCSC)C[C@H](O)C[NH+]1CCCC1 ZINC000830993713 584908899 /nfs/dbraw/zinc/90/88/99/584908899.db2.gz ABUPPJUURNHWPU-LBPRGKRZSA-N 2 1 246.420 1.128 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1CCCC[NH2+]1 ZINC000817923805 584991162 /nfs/dbraw/zinc/99/11/62/584991162.db2.gz IPLMRXXAGOMZHX-UPJWGTAASA-N 2 1 224.348 1.799 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000817913698 584991330 /nfs/dbraw/zinc/99/13/30/584991330.db2.gz QUCNESMWVSAIAF-MGPQQGTHSA-N 2 1 239.407 1.720 20 0 BDADMP FCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749514804 585203329 /nfs/dbraw/zinc/20/33/29/585203329.db2.gz MDBIFSZQNAUKEK-DGCLKSJQSA-N 2 1 226.339 1.905 20 0 BDADMP FCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749514804 585203330 /nfs/dbraw/zinc/20/33/30/585203330.db2.gz MDBIFSZQNAUKEK-DGCLKSJQSA-N 2 1 226.339 1.905 20 0 BDADMP FCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749514804 585203331 /nfs/dbraw/zinc/20/33/31/585203331.db2.gz MDBIFSZQNAUKEK-DGCLKSJQSA-N 2 1 226.339 1.905 20 0 BDADMP FCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749514804 585203332 /nfs/dbraw/zinc/20/33/32/585203332.db2.gz MDBIFSZQNAUKEK-DGCLKSJQSA-N 2 1 226.339 1.905 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)C2CC2)CC1 ZINC000759966479 585383369 /nfs/dbraw/zinc/38/33/69/585383369.db2.gz LMUUUSSTUGIBIR-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)C2CC2)CC1 ZINC000759966479 585383370 /nfs/dbraw/zinc/38/33/70/585383370.db2.gz LMUUUSSTUGIBIR-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCCCO)CC1 ZINC000759976924 585383595 /nfs/dbraw/zinc/38/35/95/585383595.db2.gz NANVBWDDFJPMRD-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP CC[N@H+]1CCN(CC[NH+]2CCCC2)C[C@@H]1C ZINC000760886190 585401144 /nfs/dbraw/zinc/40/11/44/585401144.db2.gz MIAKPXKFASBOQW-ZDUSSCGKSA-N 2 1 225.380 1.108 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762651631 585434989 /nfs/dbraw/zinc/43/49/89/585434989.db2.gz USADNUZLKFRKJI-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000762651631 585434990 /nfs/dbraw/zinc/43/49/90/585434990.db2.gz USADNUZLKFRKJI-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000765640112 585491803 /nfs/dbraw/zinc/49/18/03/585491803.db2.gz GSMNZDIBPFDAMG-WDEREUQCSA-N 2 1 249.362 1.286 20 0 BDADMP CC[N@H+]1C[C@H](C)N(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000765640107 585491931 /nfs/dbraw/zinc/49/19/31/585491931.db2.gz GSMNZDIBPFDAMG-QWRGUYRKSA-N 2 1 249.362 1.286 20 0 BDADMP O=C(CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CC1 ZINC000767429205 585520144 /nfs/dbraw/zinc/52/01/44/585520144.db2.gz MDXOCBZKKWPXAT-GFCCVEGCSA-N 2 1 247.342 1.958 20 0 BDADMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1COC2 ZINC000770393588 585573697 /nfs/dbraw/zinc/57/36/97/585573697.db2.gz DOWNUTFHENIGRP-GASCZTMLSA-N 2 1 244.338 1.368 20 0 BDADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1COC2 ZINC000770393588 585573698 /nfs/dbraw/zinc/57/36/98/585573698.db2.gz DOWNUTFHENIGRP-GASCZTMLSA-N 2 1 244.338 1.368 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@H](C)C1 ZINC000777119737 585708860 /nfs/dbraw/zinc/70/88/60/585708860.db2.gz CQQROETWMFFOTO-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CCO)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000779341541 585751986 /nfs/dbraw/zinc/75/19/86/585751986.db2.gz NULNTXFFBGHIOB-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCO)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000779341541 585751987 /nfs/dbraw/zinc/75/19/87/585751987.db2.gz NULNTXFFBGHIOB-JHJVBQTASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000779344356 585752262 /nfs/dbraw/zinc/75/22/62/585752262.db2.gz XFQWRQNPGJLHFN-UPJWGTAASA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](CCO)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000779344356 585752263 /nfs/dbraw/zinc/75/22/63/585752263.db2.gz XFQWRQNPGJLHFN-UPJWGTAASA-N 2 1 228.380 1.610 20 0 BDADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779411702 585753994 /nfs/dbraw/zinc/75/39/94/585753994.db2.gz GPKLMHJNPRJDIE-UONOGXRCSA-N 2 1 242.407 1.715 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCOC(C)(C)C2)CC1 ZINC000788468977 585925114 /nfs/dbraw/zinc/92/51/14/585925114.db2.gz CPGAJJAQUIVFBD-UHFFFAOYSA-N 2 1 226.364 1.439 20 0 BDADMP CN(C)[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788475121 585925168 /nfs/dbraw/zinc/92/51/68/585925168.db2.gz BEHPUTNODOLQDE-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+](C)[C@@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000788475121 585925169 /nfs/dbraw/zinc/92/51/69/585925169.db2.gz BEHPUTNODOLQDE-CQSZACIVSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788585857 585927431 /nfs/dbraw/zinc/92/74/31/585927431.db2.gz XAAUNVAVTVCQBV-JTQLQIEISA-N 2 1 246.314 1.643 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(C)(C)O ZINC000795156061 586069873 /nfs/dbraw/zinc/06/98/73/586069873.db2.gz BGIBPNAZHJNSIU-GFCCVEGCSA-N 2 1 249.358 1.363 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000799308965 586169349 /nfs/dbraw/zinc/16/93/49/586169349.db2.gz HMNYCHOQBYGULE-RWMBFGLXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000799308965 586169351 /nfs/dbraw/zinc/16/93/51/586169351.db2.gz HMNYCHOQBYGULE-RWMBFGLXSA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000799308965 586169354 /nfs/dbraw/zinc/16/93/54/586169354.db2.gz HMNYCHOQBYGULE-RWMBFGLXSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817892513 586832976 /nfs/dbraw/zinc/83/29/76/586832976.db2.gz ASNQGQDHARRQBK-ZLKJLUDKSA-N 2 1 234.343 1.709 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CSCCS1)[C@H]1CCC[NH2+]1 ZINC000817898414 586834505 /nfs/dbraw/zinc/83/45/05/586834505.db2.gz HVBHDLSDRBXYDG-GMTAPVOTSA-N 2 1 246.445 1.565 20 0 BDADMP CC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])OCCCO1 ZINC000817926415 586841305 /nfs/dbraw/zinc/84/13/05/586841305.db2.gz IFIGTENZPAYTAA-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1F ZINC000817926856 586841662 /nfs/dbraw/zinc/84/16/62/586841662.db2.gz AZBWSKCKDACFGJ-BDAKNGLRSA-N 2 1 211.284 1.436 20 0 BDADMP C[C@H]1CCNC[C@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948176 586847218 /nfs/dbraw/zinc/84/72/18/586847218.db2.gz FWGLAOFPBODLAZ-SWLSCSKDSA-N 2 1 247.386 1.275 20 0 BDADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818984904 586919106 /nfs/dbraw/zinc/91/91/06/586919106.db2.gz MUABTTZSSVDASO-OCCSQVGLSA-N 2 1 240.391 1.467 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818981218 586919867 /nfs/dbraw/zinc/91/98/67/586919867.db2.gz STIIILNIMOIQIB-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819151910 586933610 /nfs/dbraw/zinc/93/36/10/586933610.db2.gz HSICJGYVBPFAKW-GXTWGEPZSA-N 2 1 240.391 1.325 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821386127 587115193 /nfs/dbraw/zinc/11/51/93/587115193.db2.gz IWWLWPDNHFTZCL-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821386127 587115195 /nfs/dbraw/zinc/11/51/95/587115195.db2.gz IWWLWPDNHFTZCL-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821386127 587115197 /nfs/dbraw/zinc/11/51/97/587115197.db2.gz IWWLWPDNHFTZCL-BFHYXJOUSA-N 2 1 240.391 1.828 20 0 BDADMP OC[C@H]1CCC[N@@H+](Cc2cnc3n2CCC3)CC1 ZINC000826017553 587348485 /nfs/dbraw/zinc/34/84/85/587348485.db2.gz SXVHKEBEZHMUGS-LBPRGKRZSA-N 2 1 249.358 1.424 20 0 BDADMP CC[N@@H+](CCNC(=O)CCCCC[NH3+])C(C)C ZINC000828319000 587434666 /nfs/dbraw/zinc/43/46/66/587434666.db2.gz ZJECDTFSHSMBNW-UHFFFAOYSA-N 2 1 243.395 1.352 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971247 587640338 /nfs/dbraw/zinc/64/03/38/587640338.db2.gz UHTVMTQBSFPQAG-DGCLKSJQSA-N 2 1 241.379 1.104 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000832243984 587652334 /nfs/dbraw/zinc/65/23/34/587652334.db2.gz CPTWVHHUJOWIJJ-GFCCVEGCSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000832564029 587666655 /nfs/dbraw/zinc/66/66/55/587666655.db2.gz AQHLUNADOOYNED-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000832564029 587666656 /nfs/dbraw/zinc/66/66/56/587666656.db2.gz AQHLUNADOOYNED-OLZOCXBDSA-N 2 1 240.391 1.706 20 0 BDADMP c1ccc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000836694239 587836004 /nfs/dbraw/zinc/83/60/04/587836004.db2.gz FLOIGXXENAJJTG-AWEZNQCLSA-N 2 1 245.370 1.871 20 0 BDADMP CN(C)c1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000842291925 588014391 /nfs/dbraw/zinc/01/43/91/588014391.db2.gz NLTCWDWXUCUJQC-VHSXEESVSA-N 2 1 235.335 1.224 20 0 BDADMP OCCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842478024 588029962 /nfs/dbraw/zinc/02/99/62/588029962.db2.gz JFZZNYJGJWFWCF-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842478024 588029966 /nfs/dbraw/zinc/02/99/66/588029966.db2.gz JFZZNYJGJWFWCF-CYBMUJFWSA-N 2 1 226.364 1.367 20 0 BDADMP c1ccc([C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000842476114 588030071 /nfs/dbraw/zinc/03/00/71/588030071.db2.gz HCLJUPBDGYIJEF-KBPBESRZSA-N 2 1 245.370 1.871 20 0 BDADMP c1ccc([C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC000842476117 588030153 /nfs/dbraw/zinc/03/01/53/588030153.db2.gz HCLJUPBDGYIJEF-ZIAGYGMSSA-N 2 1 245.370 1.871 20 0 BDADMP CCC[N@H+](C)Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842667247 588050594 /nfs/dbraw/zinc/05/05/94/588050594.db2.gz JPTBFXCGPIJPNX-JTQLQIEISA-N 2 1 238.335 1.378 20 0 BDADMP CCC[N@@H+](C)Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842667247 588050597 /nfs/dbraw/zinc/05/05/97/588050597.db2.gz JPTBFXCGPIJPNX-JTQLQIEISA-N 2 1 238.335 1.378 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@@H]1[NH3+] ZINC000843051690 588076514 /nfs/dbraw/zinc/07/65/14/588076514.db2.gz KKFYQMSOJUEKIO-NHYWBVRUSA-N 2 1 246.354 1.886 20 0 BDADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000843054949 588077847 /nfs/dbraw/zinc/07/78/47/588077847.db2.gz ORDNEIUEAHOCRR-BPCQOVAHSA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)N1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843126214 588084504 /nfs/dbraw/zinc/08/45/04/588084504.db2.gz CZDIRNPIFYPDFC-UHFFFAOYSA-N 2 1 241.423 1.968 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843348773 588102543 /nfs/dbraw/zinc/10/25/43/588102543.db2.gz XJRRBNROUADFLQ-GFCCVEGCSA-N 3 1 213.369 1.176 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000843349348 588102565 /nfs/dbraw/zinc/10/25/65/588102565.db2.gz VSSWHEXEGZOZRL-LBPRGKRZSA-N 2 1 242.363 1.261 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843353969 588103276 /nfs/dbraw/zinc/10/32/76/588103276.db2.gz SXMAKQMLIWACCH-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCCCCC[NH3+] ZINC000843362305 588104682 /nfs/dbraw/zinc/10/46/82/588104682.db2.gz CMDHCJPXVIAIHC-CHWSQXEVSA-N 3 1 227.396 1.565 20 0 BDADMP Cn1nccc1[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000844222119 588174138 /nfs/dbraw/zinc/17/41/38/588174138.db2.gz VNDGFKVDMQAZJS-CHWSQXEVSA-N 2 1 248.374 1.209 20 0 BDADMP CC[N@@H+](CCC[NH2+]C)CCc1ccccn1 ZINC000844221255 588174191 /nfs/dbraw/zinc/17/41/91/588174191.db2.gz BGVNHDHIZKMYFW-UHFFFAOYSA-N 2 1 221.348 1.556 20 0 BDADMP NC[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846216926 588259465 /nfs/dbraw/zinc/25/94/65/588259465.db2.gz YCKBNAFEHJVTJD-GFCCVEGCSA-N 2 1 213.369 1.319 20 0 BDADMP [NH3+]CCCCCCN1CCCC[C@@H]1C[NH3+] ZINC000846216926 588259466 /nfs/dbraw/zinc/25/94/66/588259466.db2.gz YCKBNAFEHJVTJD-GFCCVEGCSA-N 2 1 213.369 1.319 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C/C=C\Cl ZINC000846220577 588261067 /nfs/dbraw/zinc/26/10/67/588261067.db2.gz LQZAQWHDWQOSRQ-AZVKUDOFSA-N 2 1 202.729 1.717 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C/C=C/Cl ZINC000846220578 588261152 /nfs/dbraw/zinc/26/11/52/588261152.db2.gz LQZAQWHDWQOSRQ-HYYFJVDXSA-N 2 1 202.729 1.717 20 0 BDADMP NCC[N@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC000846220687 588261508 /nfs/dbraw/zinc/26/15/08/588261508.db2.gz UQZRMNGSLVZWFS-UHFFFAOYSA-N 3 1 249.402 1.966 20 0 BDADMP NCC[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC000846220687 588261509 /nfs/dbraw/zinc/26/15/09/588261509.db2.gz UQZRMNGSLVZWFS-UHFFFAOYSA-N 3 1 249.402 1.966 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000846708868 588283627 /nfs/dbraw/zinc/28/36/27/588283627.db2.gz WZPFNJWLLMWWBE-NEPJUHHUSA-N 2 1 242.363 1.531 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000846708871 588283895 /nfs/dbraw/zinc/28/38/95/588283895.db2.gz WZPFNJWLLMWWBE-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000848720185 588408238 /nfs/dbraw/zinc/40/82/38/588408238.db2.gz SUDPSCWKAFRLML-FRRDWIJNSA-N 2 1 225.380 1.330 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000848720185 588408239 /nfs/dbraw/zinc/40/82/39/588408239.db2.gz SUDPSCWKAFRLML-FRRDWIJNSA-N 2 1 225.380 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccnc2F)C1 ZINC000848719890 588408362 /nfs/dbraw/zinc/40/83/62/588408362.db2.gz GDTIYTWBVLOMHA-MNOVXSKESA-N 2 1 223.295 1.580 20 0 BDADMP C[NH+]1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000107801862 588409647 /nfs/dbraw/zinc/40/96/47/588409647.db2.gz HIFQRBCKBDYQCB-UHFFFAOYSA-N 3 1 213.369 1.189 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])N1CCC1 ZINC000848982317 588424191 /nfs/dbraw/zinc/42/41/91/588424191.db2.gz FRBDNUKQIBPVDU-GFCCVEGCSA-N 2 1 238.379 1.481 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCC1 ZINC000848987517 588426102 /nfs/dbraw/zinc/42/61/02/588426102.db2.gz CNBBGFJYUPRNGV-NSHDSACASA-N 2 1 224.352 1.091 20 0 BDADMP C[C@@H](CNC(=[NH2+])N(C)C)[N@H+]1CCCC[C@H]1C ZINC000848987407 588426401 /nfs/dbraw/zinc/42/64/01/588426401.db2.gz ULAKZQIIFHUNMV-MNOVXSKESA-N 2 1 226.368 1.335 20 0 BDADMP CCNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000848997226 588429653 /nfs/dbraw/zinc/42/96/53/588429653.db2.gz LVHJSCYINYHMGR-NSHDSACASA-N 2 1 240.395 1.631 20 0 BDADMP C[C@H](CNC(=[NH2+])NC1CCC1)[N@@H+](C)C1CC1 ZINC000849001580 588430729 /nfs/dbraw/zinc/43/07/29/588430729.db2.gz DUNZVSRZWPSQMP-SECBINFHSA-N 2 1 224.352 1.136 20 0 BDADMP CCNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849046384 588450135 /nfs/dbraw/zinc/45/01/35/588450135.db2.gz DMMDWNHJGKIWEY-UHFFFAOYSA-N 2 1 214.357 1.098 20 0 BDADMP CC1(C)CCC[N@H+]1CCNC1=[NH+]CCCCN1 ZINC000849216632 588462746 /nfs/dbraw/zinc/46/27/46/588462746.db2.gz NWZPAJJOXMXXDJ-UHFFFAOYSA-N 2 1 238.379 1.190 20 0 BDADMP Cc1[nH+]cc(CNc2[nH+]ccn2C2CC2)n1C ZINC000849346873 588474546 /nfs/dbraw/zinc/47/45/46/588474546.db2.gz FUMRPAVPZIACPD-UHFFFAOYSA-N 2 1 231.303 1.872 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCOC(F)F)CC[N@@H+]1C ZINC000851796590 588629915 /nfs/dbraw/zinc/62/99/15/588629915.db2.gz IABZCVHJLMTXNJ-NXEZZACHSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)CCOC(F)F)CC[N@H+]1C ZINC000851796590 588629916 /nfs/dbraw/zinc/62/99/16/588629916.db2.gz IABZCVHJLMTXNJ-NXEZZACHSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)CCOC(F)F)CC[NH+]1C ZINC000851796590 588629917 /nfs/dbraw/zinc/62/99/17/588629917.db2.gz IABZCVHJLMTXNJ-NXEZZACHSA-N 2 1 236.306 1.640 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)CCOC(F)F)CC[NH+]1C ZINC000851796590 588629918 /nfs/dbraw/zinc/62/99/18/588629918.db2.gz IABZCVHJLMTXNJ-NXEZZACHSA-N 2 1 236.306 1.640 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000852078130 588660237 /nfs/dbraw/zinc/66/02/37/588660237.db2.gz LQKQNECAQWRPLV-BFHYXJOUSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000852078130 588660238 /nfs/dbraw/zinc/66/02/38/588660238.db2.gz LQKQNECAQWRPLV-BFHYXJOUSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000852078130 588660239 /nfs/dbraw/zinc/66/02/39/588660239.db2.gz LQKQNECAQWRPLV-BFHYXJOUSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)C1CC1)C2 ZINC000852107451 588664132 /nfs/dbraw/zinc/66/41/32/588664132.db2.gz LLNVHQWJLKBRTB-UONOGXRCSA-N 2 1 238.375 1.175 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000852746428 588698073 /nfs/dbraw/zinc/69/80/73/588698073.db2.gz LBWXKZUQTGMLCV-MNOVXSKESA-N 2 1 248.317 1.690 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000852746428 588698074 /nfs/dbraw/zinc/69/80/74/588698074.db2.gz LBWXKZUQTGMLCV-MNOVXSKESA-N 2 1 248.317 1.690 20 0 BDADMP C[C@H]1CC[N@@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000852750914 588700272 /nfs/dbraw/zinc/70/02/72/588700272.db2.gz JAZPRVRTOJIODW-DTWKUNHWSA-N 2 1 222.279 1.142 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC000852774788 588701881 /nfs/dbraw/zinc/70/18/81/588701881.db2.gz ZFWFTWXKBNSFQE-QWHCGFSZSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000863484014 589293116 /nfs/dbraw/zinc/29/31/16/589293116.db2.gz GKMIVWRBORKBAP-AAVRWANBSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C[NH2+]1 ZINC000863546212 589296120 /nfs/dbraw/zinc/29/61/20/589296120.db2.gz JZOCDUFOCCFXOM-IXOXFDKPSA-N 2 1 208.349 1.905 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CCOCC[NH3+])CCO1 ZINC000863652175 589307648 /nfs/dbraw/zinc/30/76/48/589307648.db2.gz PGKHRXOXIOEBCX-QWHCGFSZSA-N 2 1 244.379 1.099 20 0 BDADMP CCC(CC)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000864450986 589364887 /nfs/dbraw/zinc/36/48/87/589364887.db2.gz FPTJNNQKDFKXSB-SNVBAGLBSA-N 2 1 226.368 1.241 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864455268 589366552 /nfs/dbraw/zinc/36/65/52/589366552.db2.gz LIXWZUDFJMJRGE-IJLUTSLNSA-N 2 1 238.379 1.239 20 0 BDADMP CC[C@H]1CCN(C(=[NH2+])NCCn2cc[nH+]c2C)C1 ZINC000864457080 589367551 /nfs/dbraw/zinc/36/75/51/589367551.db2.gz QHPJSJZJQDBZKV-LBPRGKRZSA-N 2 1 249.362 1.448 20 0 BDADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864460751 589368779 /nfs/dbraw/zinc/36/87/79/589368779.db2.gz JLTSQXMXHUNLFV-ZYHUDNBSSA-N 2 1 249.362 1.494 20 0 BDADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c(CO)c3)CC[C@H]21 ZINC000866208967 589480550 /nfs/dbraw/zinc/48/05/50/589480550.db2.gz MCFQAXQLYLPDSV-SMDDNHRTSA-N 2 1 247.342 1.104 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704198 589513860 /nfs/dbraw/zinc/51/38/60/589513860.db2.gz RJSDDRIZNCHHFZ-VHSXEESVSA-N 2 1 200.351 1.020 20 0 BDADMP COCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705029 589514198 /nfs/dbraw/zinc/51/41/98/589514198.db2.gz RWYLRAZPMIOOJU-GFCCVEGCSA-N 2 1 214.353 1.330 20 0 BDADMP Cc1cncc([C@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000866721131 589515193 /nfs/dbraw/zinc/51/51/93/589515193.db2.gz RTOAUQQOZYDVGW-CYBMUJFWSA-N 2 1 219.332 1.876 20 0 BDADMP OCCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723775 589515875 /nfs/dbraw/zinc/51/58/75/589515875.db2.gz IXUHILZSLODDCJ-QWHCGFSZSA-N 2 1 226.364 1.365 20 0 BDADMP OCCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723775 589515877 /nfs/dbraw/zinc/51/58/77/589515877.db2.gz IXUHILZSLODDCJ-QWHCGFSZSA-N 2 1 226.364 1.365 20 0 BDADMP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CC[NH2+]CC1 ZINC000866724127 589515927 /nfs/dbraw/zinc/51/59/27/589515927.db2.gz INEYSXRDZHVCIA-KBPBESRZSA-N 3 1 237.391 1.202 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CC[NH2+]CC1 ZINC000866724127 589515929 /nfs/dbraw/zinc/51/59/29/589515929.db2.gz INEYSXRDZHVCIA-KBPBESRZSA-N 3 1 237.391 1.202 20 0 BDADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)CC ZINC000872032980 589857595 /nfs/dbraw/zinc/85/75/95/589857595.db2.gz DPYGRVIMDAVLAY-NEPJUHHUSA-N 2 1 230.396 1.713 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H](C)C1 ZINC000872125736 589875459 /nfs/dbraw/zinc/87/54/59/589875459.db2.gz CKMKAZWPJCMZFG-FDYHWXHSSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)C1CC([NH3+])C1 ZINC000872143379 589883216 /nfs/dbraw/zinc/88/32/16/589883216.db2.gz QKICDDNIKVOEAR-HTAVTVPLSA-N 2 1 224.348 1.367 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000872144819 589884145 /nfs/dbraw/zinc/88/41/45/589884145.db2.gz JHGCFKWOOQMIFC-KWCYVHTRSA-N 2 1 240.391 1.909 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872153483 589884688 /nfs/dbraw/zinc/88/46/88/589884688.db2.gz CNZYJLYQOFCWPG-BDAKNGLRSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872153483 589884691 /nfs/dbraw/zinc/88/46/91/589884691.db2.gz CNZYJLYQOFCWPG-BDAKNGLRSA-N 2 1 240.269 1.377 20 0 BDADMP COCC1([N@@H+](C)CCC2CC[NH2+]CC2)CCC1 ZINC000872157081 589884773 /nfs/dbraw/zinc/88/47/73/589884773.db2.gz IQIZVYMUJPYUQM-UHFFFAOYSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000872253848 589901092 /nfs/dbraw/zinc/90/10/92/589901092.db2.gz KVJDYYAVXXMNLL-JHJVBQTASA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254229 589901173 /nfs/dbraw/zinc/90/11/73/589901173.db2.gz WXRYPDFWUCRLOA-STQMWFEESA-N 3 1 241.423 1.694 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210696 589995351 /nfs/dbraw/zinc/99/53/51/589995351.db2.gz ORPCLVYYEYQCOM-UHFFFAOYSA-N 3 1 239.388 1.221 20 0 BDADMP CC(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000873227665 590000707 /nfs/dbraw/zinc/00/07/07/590000707.db2.gz MLNIYRSRUDPOMP-CYBMUJFWSA-N 2 1 224.348 1.287 20 0 BDADMP C[N@H+](CCCCCC[NH3+])Cc1cocn1 ZINC000873231563 590003482 /nfs/dbraw/zinc/00/34/82/590003482.db2.gz OLUIVVIXKRPWKL-UHFFFAOYSA-N 2 1 211.309 1.626 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1cocn1 ZINC000873231563 590003485 /nfs/dbraw/zinc/00/34/85/590003485.db2.gz OLUIVVIXKRPWKL-UHFFFAOYSA-N 2 1 211.309 1.626 20 0 BDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000873241306 590005691 /nfs/dbraw/zinc/00/56/91/590005691.db2.gz GCCTZVRTXCADPM-RYUDHWBXSA-N 2 1 237.322 1.970 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000873243465 590006606 /nfs/dbraw/zinc/00/66/06/590006606.db2.gz LLKNSWRKZQYJNR-UTUOFQBUSA-N 2 1 228.405 1.860 20 0 BDADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000873250578 590008048 /nfs/dbraw/zinc/00/80/48/590008048.db2.gz RSKUJABWEGXMSN-DKNRTOFZSA-N 2 1 239.407 1.719 20 0 BDADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000873250581 590008532 /nfs/dbraw/zinc/00/85/32/590008532.db2.gz RSKUJABWEGXMSN-YIFLHPOLSA-N 2 1 239.407 1.719 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873268558 590015520 /nfs/dbraw/zinc/01/55/20/590015520.db2.gz XAIICRCUICEIGE-SCRDCRAPSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873268558 590015522 /nfs/dbraw/zinc/01/55/22/590015522.db2.gz XAIICRCUICEIGE-SCRDCRAPSA-N 3 1 239.407 1.447 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000873270546 590016240 /nfs/dbraw/zinc/01/62/40/590016240.db2.gz WSBIRQRPRJLIOZ-DYEKYZERSA-N 2 1 239.407 1.495 20 0 BDADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743884 590410680 /nfs/dbraw/zinc/41/06/80/590410680.db2.gz YUZCOTBWIPSXLR-CHWSQXEVSA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743884 590410681 /nfs/dbraw/zinc/41/06/81/590410681.db2.gz YUZCOTBWIPSXLR-CHWSQXEVSA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743884 590410682 /nfs/dbraw/zinc/41/06/82/590410682.db2.gz YUZCOTBWIPSXLR-CHWSQXEVSA-N 2 1 208.349 1.979 20 0 BDADMP CC(C)=CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743884 590410683 /nfs/dbraw/zinc/41/06/83/590410683.db2.gz YUZCOTBWIPSXLR-CHWSQXEVSA-N 2 1 208.349 1.979 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)n1C ZINC000877743795 590411270 /nfs/dbraw/zinc/41/12/70/590411270.db2.gz YJVMZFBAWYQTJC-OCCSQVGLSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)n1C ZINC000877743795 590411272 /nfs/dbraw/zinc/41/12/72/590411272.db2.gz YJVMZFBAWYQTJC-OCCSQVGLSA-N 2 1 248.374 1.255 20 0 BDADMP CC(C)[C@H](O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878125201 590501624 /nfs/dbraw/zinc/50/16/24/590501624.db2.gz NVLUDHBEVPCPRL-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000878125201 590501627 /nfs/dbraw/zinc/50/16/27/590501627.db2.gz NVLUDHBEVPCPRL-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@H](O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000878125201 590501628 /nfs/dbraw/zinc/50/16/28/590501628.db2.gz NVLUDHBEVPCPRL-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000878693613 590610489 /nfs/dbraw/zinc/61/04/89/590610489.db2.gz XCJHOISSLSMMRR-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125319 590699371 /nfs/dbraw/zinc/69/93/71/590699371.db2.gz YRFXLQKUPXLQAO-UHFFFAOYSA-N 2 1 214.353 1.297 20 0 BDADMP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569029 590800377 /nfs/dbraw/zinc/80/03/77/590800377.db2.gz HQOPORHRGIOLIL-STQMWFEESA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569029 590800380 /nfs/dbraw/zinc/80/03/80/590800380.db2.gz HQOPORHRGIOLIL-STQMWFEESA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569029 590800383 /nfs/dbraw/zinc/80/03/83/590800383.db2.gz HQOPORHRGIOLIL-STQMWFEESA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569029 590800386 /nfs/dbraw/zinc/80/03/86/590800386.db2.gz HQOPORHRGIOLIL-STQMWFEESA-N 2 1 226.364 1.437 20 0 BDADMP CSCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571077 590807254 /nfs/dbraw/zinc/80/72/54/590807254.db2.gz HOCVCBOKJNQUPC-QWRGUYRKSA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879571077 590807256 /nfs/dbraw/zinc/80/72/56/590807256.db2.gz HOCVCBOKJNQUPC-QWRGUYRKSA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879571077 590807258 /nfs/dbraw/zinc/80/72/58/590807258.db2.gz HOCVCBOKJNQUPC-QWRGUYRKSA-N 2 1 214.378 1.375 20 0 BDADMP CSCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571077 590807259 /nfs/dbraw/zinc/80/72/59/590807259.db2.gz HOCVCBOKJNQUPC-QWRGUYRKSA-N 2 1 214.378 1.375 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570546 590809785 /nfs/dbraw/zinc/80/97/85/590809785.db2.gz GXDKWLRZCABSFK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570546 590809790 /nfs/dbraw/zinc/80/97/90/590809790.db2.gz GXDKWLRZCABSFK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570546 590809796 /nfs/dbraw/zinc/80/97/96/590809796.db2.gz GXDKWLRZCABSFK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570546 590809800 /nfs/dbraw/zinc/80/98/00/590809800.db2.gz GXDKWLRZCABSFK-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570547 590811101 /nfs/dbraw/zinc/81/11/01/590811101.db2.gz GXDKWLRZCABSFK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570547 590811102 /nfs/dbraw/zinc/81/11/02/590811102.db2.gz GXDKWLRZCABSFK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570547 590811103 /nfs/dbraw/zinc/81/11/03/590811103.db2.gz GXDKWLRZCABSFK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCCCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570547 590811105 /nfs/dbraw/zinc/81/11/05/590811105.db2.gz GXDKWLRZCABSFK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CC=CC3)CC[C@@H]21 ZINC000879578302 590812642 /nfs/dbraw/zinc/81/26/42/590812642.db2.gz CVYYOUQFEYBAKI-KGLIPLIRSA-N 2 1 220.360 1.979 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC=CC3)CC[C@@H]21 ZINC000879578302 590812644 /nfs/dbraw/zinc/81/26/44/590812644.db2.gz CVYYOUQFEYBAKI-KGLIPLIRSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC=CC3)CC[C@@H]21 ZINC000879578302 590812646 /nfs/dbraw/zinc/81/26/46/590812646.db2.gz CVYYOUQFEYBAKI-KGLIPLIRSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC=CC3)CC[C@@H]21 ZINC000879578302 590812648 /nfs/dbraw/zinc/81/26/48/590812648.db2.gz CVYYOUQFEYBAKI-KGLIPLIRSA-N 2 1 220.360 1.979 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CC3(C)COC3)CC[C@H]21 ZINC000879574272 590815092 /nfs/dbraw/zinc/81/50/92/590815092.db2.gz YWKIONMQJYZVGP-NWDGAFQWSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CC3(C)COC3)CC[C@H]21 ZINC000879574272 590815098 /nfs/dbraw/zinc/81/50/98/590815098.db2.gz YWKIONMQJYZVGP-NWDGAFQWSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CC3(C)COC3)CC[C@H]21 ZINC000879574272 590815103 /nfs/dbraw/zinc/81/51/03/590815103.db2.gz YWKIONMQJYZVGP-NWDGAFQWSA-N 2 1 224.348 1.049 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCn3ccnc3)CC[C@H]21 ZINC000879577843 590815192 /nfs/dbraw/zinc/81/51/92/590815192.db2.gz MXWCKGPUVHOSOI-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCn3ccnc3)CC[C@H]21 ZINC000879577843 590815197 /nfs/dbraw/zinc/81/51/97/590815197.db2.gz MXWCKGPUVHOSOI-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCn3ccnc3)CC[C@H]21 ZINC000879577843 590815201 /nfs/dbraw/zinc/81/52/01/590815201.db2.gz MXWCKGPUVHOSOI-UONOGXRCSA-N 2 1 248.374 1.299 20 0 BDADMP C[C@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952113 590894836 /nfs/dbraw/zinc/89/48/36/590894836.db2.gz SETMAZSCNUVAHM-ZDUSSCGKSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208938 590958881 /nfs/dbraw/zinc/95/88/81/590958881.db2.gz NAMLZBFGXLUAFW-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208938 590958884 /nfs/dbraw/zinc/95/88/84/590958884.db2.gz NAMLZBFGXLUAFW-CQSZACIVSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258565 590978863 /nfs/dbraw/zinc/97/88/63/590978863.db2.gz IPYXCKLOTCUJME-JSGCOSHPSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@H]1C[N@@H+](CCCF)CCN1c1cc[nH+]cc1 ZINC000880260910 590980375 /nfs/dbraw/zinc/98/03/75/590980375.db2.gz GPGHQLMJFVQXIZ-LBPRGKRZSA-N 2 1 237.322 1.952 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CF)C1 ZINC000880297218 590990512 /nfs/dbraw/zinc/99/05/12/590990512.db2.gz KXMIQQDFWBVRRX-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CF)C1 ZINC000880297218 590990514 /nfs/dbraw/zinc/99/05/14/590990514.db2.gz KXMIQQDFWBVRRX-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](CF)C1 ZINC000880297218 590990517 /nfs/dbraw/zinc/99/05/17/590990517.db2.gz KXMIQQDFWBVRRX-NWDGAFQWSA-N 2 1 214.328 1.762 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000129250811 591273151 /nfs/dbraw/zinc/27/31/51/591273151.db2.gz JYMUPEZZQLCDEA-CYBMUJFWSA-N 2 1 239.407 1.593 20 0 BDADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000882959167 591486224 /nfs/dbraw/zinc/48/62/24/591486224.db2.gz XDVDRYQXYFGPJT-GFCCVEGCSA-N 2 1 221.304 1.080 20 0 BDADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCOC(F)(F)F ZINC000883418687 591654469 /nfs/dbraw/zinc/65/44/69/591654469.db2.gz OWGSZBFDNGCYNO-SECBINFHSA-N 2 1 242.285 1.876 20 0 BDADMP C=C/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000883436778 591665868 /nfs/dbraw/zinc/66/58/68/591665868.db2.gz AMXFECQMTDXBAL-GFSGRHGLSA-N 2 1 206.333 1.932 20 0 BDADMP C[N@H+](CCCCCC[NH3+])C[C@@H]1C[C@H](F)CN1 ZINC000883441375 591668436 /nfs/dbraw/zinc/66/84/36/591668436.db2.gz MVEPIPLDZJWMAG-RYUDHWBXSA-N 2 1 231.359 1.137 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1C[C@H](F)CN1 ZINC000883441375 591668441 /nfs/dbraw/zinc/66/84/41/591668441.db2.gz MVEPIPLDZJWMAG-RYUDHWBXSA-N 2 1 231.359 1.137 20 0 BDADMP CC1(C)[C@H](N)C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000883442568 591670069 /nfs/dbraw/zinc/67/00/69/591670069.db2.gz OLBJMQSJUJFJEV-GHMZBOCLSA-N 2 1 213.369 1.221 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1(CN)CCCCC1 ZINC000883454526 591673015 /nfs/dbraw/zinc/67/30/15/591673015.db2.gz DSKWMEACHYIXJO-ZDUSSCGKSA-N 2 1 239.407 1.579 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459928 591674242 /nfs/dbraw/zinc/67/42/42/591674242.db2.gz KZOHZVDCTFJUKY-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP Cc1[nH]nc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000885920990 592109172 /nfs/dbraw/zinc/10/91/72/592109172.db2.gz OSWSQFYUTBCRFH-LBPRGKRZSA-N 2 1 248.374 1.600 20 0 BDADMP Cc1[nH]nc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000885920990 592109175 /nfs/dbraw/zinc/10/91/75/592109175.db2.gz OSWSQFYUTBCRFH-LBPRGKRZSA-N 2 1 248.374 1.600 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000885920990 592109177 /nfs/dbraw/zinc/10/91/77/592109177.db2.gz OSWSQFYUTBCRFH-LBPRGKRZSA-N 2 1 248.374 1.600 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000885920990 592109179 /nfs/dbraw/zinc/10/91/79/592109179.db2.gz OSWSQFYUTBCRFH-LBPRGKRZSA-N 2 1 248.374 1.600 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@H](C)C[NH+](C)C)c1C ZINC000886122506 592158311 /nfs/dbraw/zinc/15/83/11/592158311.db2.gz CJBBPHGNGDOSFV-VIFPVBQESA-N 2 1 224.352 1.314 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215882 592177939 /nfs/dbraw/zinc/17/79/39/592177939.db2.gz SLNMWNNUTQRBOH-RYUDHWBXSA-N 2 1 248.317 1.030 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215882 592177942 /nfs/dbraw/zinc/17/79/42/592177942.db2.gz SLNMWNNUTQRBOH-RYUDHWBXSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215882 592177943 /nfs/dbraw/zinc/17/79/43/592177943.db2.gz SLNMWNNUTQRBOH-RYUDHWBXSA-N 2 1 248.317 1.030 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215882 592177946 /nfs/dbraw/zinc/17/79/46/592177946.db2.gz SLNMWNNUTQRBOH-RYUDHWBXSA-N 2 1 248.317 1.030 20 0 BDADMP C(C[NH+]1C[C@@H]2C[C@@H]2C1)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346975 592213478 /nfs/dbraw/zinc/21/34/78/592213478.db2.gz VSHAQELRUIYRQD-MPZDIEGVSA-N 2 1 206.333 1.280 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@]12CCOC2)C1CC[NH2+]CC1 ZINC000886827150 592350279 /nfs/dbraw/zinc/35/02/79/592350279.db2.gz FTWAHXRFYXPYRR-AAEUAGOBSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@@]12CCOC2 ZINC000886829751 592351490 /nfs/dbraw/zinc/35/14/90/592351490.db2.gz GPDFOAYGMYOVIF-BFHYXJOUSA-N 2 1 240.391 1.718 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886832390 592354245 /nfs/dbraw/zinc/35/42/45/592354245.db2.gz HRHFIUUQCLNBDP-RNJOBUHISA-N 2 1 224.348 1.082 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@@H]1C[NH3+] ZINC000886840344 592361732 /nfs/dbraw/zinc/36/17/32/592361732.db2.gz ZMGWDPQWFMAMKV-RFGFWPKPSA-N 2 1 238.375 1.330 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859987 592371184 /nfs/dbraw/zinc/37/11/84/592371184.db2.gz MTKZMKDEVHIIPC-AGIUHOORSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000221734968 592445304 /nfs/dbraw/zinc/44/53/04/592445304.db2.gz MMILFXRAWYPNRF-NWANDNLSSA-N 2 1 248.370 1.792 20 0 BDADMP CC[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133075 592449071 /nfs/dbraw/zinc/44/90/71/592449071.db2.gz SSEAZDWVQVJRAU-JSGCOSHPSA-N 2 1 249.358 1.363 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887361602 592490524 /nfs/dbraw/zinc/49/05/24/592490524.db2.gz BVNCFKFAFFHBAE-LBPRGKRZSA-N 2 1 238.379 1.242 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NCCC1CC[NH2+]CC1 ZINC000925702349 634378155 /nfs/dbraw/zinc/37/81/55/634378155.db2.gz OBQGQEWHOYKDAX-GFCCVEGCSA-N 2 1 225.380 1.106 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000925704916 634385932 /nfs/dbraw/zinc/38/59/32/634385932.db2.gz IJTWOSULIQQXOO-LOWDOPEQSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925714238 634423378 /nfs/dbraw/zinc/42/33/78/634423378.db2.gz XOXBSGPKSCNMKB-OOCWMUITSA-N 2 1 210.321 1.036 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257709463 634477627 /nfs/dbraw/zinc/47/76/27/634477627.db2.gz SKEBXAWYBSXQBM-CHWSQXEVSA-N 2 1 240.416 1.958 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257709463 634477634 /nfs/dbraw/zinc/47/76/34/634477634.db2.gz SKEBXAWYBSXQBM-CHWSQXEVSA-N 2 1 240.416 1.958 20 0 BDADMP Cc1conc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257725639 634481360 /nfs/dbraw/zinc/48/13/60/634481360.db2.gz WHZLFPHICIVCOI-UHFFFAOYSA-N 2 1 235.331 1.559 20 0 BDADMP COc1ccccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125563210 634553731 /nfs/dbraw/zinc/55/37/31/634553731.db2.gz BEXZDLBHQFFXNM-LBPRGKRZSA-N 2 1 234.343 1.866 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000925730335 634556275 /nfs/dbraw/zinc/55/62/75/634556275.db2.gz FENXEABNHOXQMS-AGIUHOORSA-N 2 1 240.391 1.922 20 0 BDADMP CCCNc1cc(NC[C@H](C)[NH3+])nc[nH+]1 ZINC000258751110 635195921 /nfs/dbraw/zinc/19/59/21/635195921.db2.gz WYSVWTFEZWDOET-QMMMGPOBSA-N 2 1 209.297 1.058 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336651781 635201288 /nfs/dbraw/zinc/20/12/88/635201288.db2.gz ICMUPJQBVRYTEJ-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925796601 635334349 /nfs/dbraw/zinc/33/43/49/635334349.db2.gz SEEUVXBMQUNGNV-MQYQWHSLSA-N 2 1 239.407 1.352 20 0 BDADMP C[N@@H+](CCOCC1CC1)CC[C@@H]1CCC[NH2+]C1 ZINC000094989549 635402821 /nfs/dbraw/zinc/40/28/21/635402821.db2.gz BEJCLCLRAVUKKT-ZDUSSCGKSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000107830171 635485190 /nfs/dbraw/zinc/48/51/90/635485190.db2.gz CZBHGXOQQSNSSI-GHMZBOCLSA-N 2 1 247.346 1.406 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N(C)C ZINC000251119219 635526605 /nfs/dbraw/zinc/52/66/05/635526605.db2.gz QOVAJCCYEFRQNU-GRYCIOLGSA-N 2 1 213.369 1.044 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1c[nH+]ccc1N ZINC000925880381 635607475 /nfs/dbraw/zinc/60/74/75/635607475.db2.gz QMECPFJTIZDKEL-MXWKQRLJSA-N 3 1 234.347 1.272 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933376864 631342748 /nfs/dbraw/zinc/34/27/48/631342748.db2.gz YGZAHYOVRIGYPJ-ZDUSSCGKSA-N 2 1 249.358 1.883 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+]CCc1c[nH+]cn1C ZINC000926205981 631427698 /nfs/dbraw/zinc/42/76/98/631427698.db2.gz FJHTZFVGZXFLRS-LBPRGKRZSA-N 2 1 244.342 1.578 20 0 BDADMP CO[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000891692611 631446181 /nfs/dbraw/zinc/44/61/81/631446181.db2.gz PPOHZEAKBWDCSD-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000891692612 631446719 /nfs/dbraw/zinc/44/67/19/631446719.db2.gz PPOHZEAKBWDCSD-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP CO[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@H]1C ZINC000893899534 635635024 /nfs/dbraw/zinc/63/50/24/635635024.db2.gz CUMCUJJSPBGXBU-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000248886215 635684564 /nfs/dbraw/zinc/68/45/64/635684564.db2.gz MEXJAPOOADEFHW-CHWSQXEVSA-N 2 1 224.348 1.563 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056615 631833299 /nfs/dbraw/zinc/83/32/99/631833299.db2.gz QPWAYDLRONBAOO-ZDUSSCGKSA-N 2 1 228.380 1.421 20 0 BDADMP Cc1cc(NCC[N@@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000052207221 632103199 /nfs/dbraw/zinc/10/31/99/632103199.db2.gz VHMRGZDFRFTKRX-JTQLQIEISA-N 2 1 249.362 1.511 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000219759306 632567929 /nfs/dbraw/zinc/56/79/29/632567929.db2.gz LSVQNWKYCGEZLV-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000219759306 632567939 /nfs/dbraw/zinc/56/79/39/632567939.db2.gz LSVQNWKYCGEZLV-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CSCCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309139684 632644829 /nfs/dbraw/zinc/64/48/29/632644829.db2.gz XLIPIVGIFOFFRG-LBPRGKRZSA-N 2 1 246.420 1.128 20 0 BDADMP CSCCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000309139684 632644831 /nfs/dbraw/zinc/64/48/31/632644831.db2.gz XLIPIVGIFOFFRG-LBPRGKRZSA-N 2 1 246.420 1.128 20 0 BDADMP CCCCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310253829 632711496 /nfs/dbraw/zinc/71/14/96/632711496.db2.gz OTFWIFNAVQSWGR-CQSZACIVSA-N 2 1 239.407 1.546 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000235552479 632781801 /nfs/dbraw/zinc/78/18/01/632781801.db2.gz HZCTXNOLPAMVSO-STQMWFEESA-N 2 1 228.380 1.456 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229621663 632982617 /nfs/dbraw/zinc/98/26/17/632982617.db2.gz RSUHEZZYLHZUQD-MCIONIFRSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000895101965 636057753 /nfs/dbraw/zinc/05/77/53/636057753.db2.gz QBYKQUQGJVEHNO-KGLIPLIRSA-N 2 1 238.375 1.439 20 0 BDADMP CC1(C)C[C@H]([NH3+])C[C@@H](NCC[NH+]2CCCC2)C1 ZINC000925509287 633846926 /nfs/dbraw/zinc/84/69/26/633846926.db2.gz NCWUMTLUNYWNKR-CHWSQXEVSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000925525603 633904570 /nfs/dbraw/zinc/90/45/70/633904570.db2.gz DHAZXVWJPWLRFE-STQMWFEESA-N 2 1 240.391 1.659 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000925539268 633947114 /nfs/dbraw/zinc/94/71/14/633947114.db2.gz APOOSDHSQNSQPH-QJPTWQEYSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)CC[N@H+]1C ZINC000184017880 633995162 /nfs/dbraw/zinc/99/51/62/633995162.db2.gz OAVGJRYAHSQZOF-RYUDHWBXSA-N 2 1 236.363 1.035 20 0 BDADMP COC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000053195394 634033301 /nfs/dbraw/zinc/03/33/01/634033301.db2.gz KNYAGUOKWBGKBJ-WDEREUQCSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925565755 634060082 /nfs/dbraw/zinc/06/00/82/634060082.db2.gz XSXYQKCQQUIVHM-CHWSQXEVSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@@](O)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925610127 634146731 /nfs/dbraw/zinc/14/67/31/634146731.db2.gz YXCTZQQYBSDNLT-VXGBXAGGSA-N 2 1 224.348 1.022 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925611122 634150996 /nfs/dbraw/zinc/15/09/96/634150996.db2.gz KIPBZLOMYFYFBO-NWDGAFQWSA-N 2 1 226.364 1.268 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925614398 634156103 /nfs/dbraw/zinc/15/61/03/634156103.db2.gz YAFHNZIVPCYKDZ-OLZOCXBDSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000925615656 634158301 /nfs/dbraw/zinc/15/83/01/634158301.db2.gz HHEHGIRMTKRREL-AAEUAGOBSA-N 2 1 234.343 1.665 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n[nH]1 ZINC000925619546 634174721 /nfs/dbraw/zinc/17/47/21/634174721.db2.gz OVRDUQVKTNYJCG-BIMULSAOSA-N 2 1 248.374 1.509 20 0 BDADMP CC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925620737 634181881 /nfs/dbraw/zinc/18/18/81/634181881.db2.gz AGAKYWIOCPQDMF-GHMZBOCLSA-N 2 1 212.337 1.022 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925675248 634260775 /nfs/dbraw/zinc/26/07/75/634260775.db2.gz MPAQEFNXKPKYSG-MNOVXSKESA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925682027 634285822 /nfs/dbraw/zinc/28/58/22/634285822.db2.gz RZUIYDZOGRAMET-VXGBXAGGSA-N 2 1 240.391 1.800 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000925692615 634325386 /nfs/dbraw/zinc/32/53/86/634325386.db2.gz OJFQLMRZNRDAKI-WFASDCNBSA-N 3 1 247.386 1.664 20 0 BDADMP C[C@H]([NH3+])[C@H](NCC1CC[NH2+]CC1)c1ccccc1 ZINC000925692615 634325392 /nfs/dbraw/zinc/32/53/92/634325392.db2.gz OJFQLMRZNRDAKI-WFASDCNBSA-N 2 1 247.386 1.664 20 0 BDADMP C[N@@H+]1C[C@]2(C)C[NH+](CC3CC3)C[C@]2(C)C1 ZINC000931312843 634330007 /nfs/dbraw/zinc/33/00/07/634330007.db2.gz ZDCGJAFUITVLLN-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[N@H+]1C[C@]2(C)C[NH+](CC3CC3)C[C@]2(C)C1 ZINC000931312843 634330011 /nfs/dbraw/zinc/33/00/11/634330011.db2.gz ZDCGJAFUITVLLN-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1 ZINC000931312843 634330015 /nfs/dbraw/zinc/33/00/15/634330015.db2.gz ZDCGJAFUITVLLN-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP C[NH+]1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1 ZINC000931312843 634330017 /nfs/dbraw/zinc/33/00/17/634330017.db2.gz ZDCGJAFUITVLLN-BETUJISGSA-N 2 1 208.349 1.670 20 0 BDADMP CC(C)(O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925694619 634334496 /nfs/dbraw/zinc/33/44/96/634334496.db2.gz VHSHYHDJLUFVPI-JTQLQIEISA-N 2 1 228.380 1.514 20 0 BDADMP [NH3+]CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694368 634337758 /nfs/dbraw/zinc/33/77/58/634337758.db2.gz TXIGAAUBAKJCND-STQMWFEESA-N 3 1 225.380 1.093 20 0 BDADMP C(C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[NH2+]C1CC1 ZINC000925695336 634344955 /nfs/dbraw/zinc/34/49/55/634344955.db2.gz VTYCUGSSWVRHDG-SGMGOOAPSA-N 2 1 238.375 1.533 20 0 BDADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1)[NH2+]2 ZINC000925699259 634366596 /nfs/dbraw/zinc/36/65/96/634366596.db2.gz JRICZIUBGQLBKF-MBJXGIAVSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H](N)[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1 ZINC000925700102 634367821 /nfs/dbraw/zinc/36/78/21/634367821.db2.gz RKVDCXYMUSOXJW-IUODEOHRSA-N 2 1 245.370 1.584 20 0 BDADMP [NH3+]CCC[C@@H](NCC1([NH3+])CCC1)c1ccccc1 ZINC000925700625 634370198 /nfs/dbraw/zinc/37/01/98/634370198.db2.gz WAGJXYOMLAVZEK-CQSZACIVSA-N 2 1 247.386 1.938 20 0 BDADMP NC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000925700625 634370206 /nfs/dbraw/zinc/37/02/06/634370206.db2.gz WAGJXYOMLAVZEK-CQSZACIVSA-N 2 1 247.386 1.938 20 0 BDADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925780871 635272197 /nfs/dbraw/zinc/27/21/97/635272197.db2.gz BSVYUAGILODHHT-FVCCEPFGSA-N 2 1 240.391 1.778 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C)C2)[C@@H](C)C1 ZINC000223194625 635364271 /nfs/dbraw/zinc/36/42/71/635364271.db2.gz CTSPHQPWKALSII-XQQFMLRXSA-N 2 1 225.380 1.010 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000223194625 635364286 /nfs/dbraw/zinc/36/42/86/635364286.db2.gz CTSPHQPWKALSII-XQQFMLRXSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C2)[C@@H](C)C1 ZINC000223194625 635364293 /nfs/dbraw/zinc/36/42/93/635364293.db2.gz CTSPHQPWKALSII-XQQFMLRXSA-N 2 1 225.380 1.010 20 0 BDADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000223194625 635364299 /nfs/dbraw/zinc/36/42/99/635364299.db2.gz CTSPHQPWKALSII-XQQFMLRXSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000925874868 635595261 /nfs/dbraw/zinc/59/52/61/635595261.db2.gz WBFYPQQYLVUMKE-NXEZZACHSA-N 2 1 236.363 1.513 20 0 BDADMP CC(=O)N1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000310530359 636265911 /nfs/dbraw/zinc/26/59/11/636265911.db2.gz PUFWUHKTIDPTNU-UHFFFAOYSA-N 2 1 241.379 1.060 20 0 BDADMP CC[NH+]1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898010091 636851173 /nfs/dbraw/zinc/85/11/73/636851173.db2.gz CZEDGNAVVPFVQQ-UHFFFAOYSA-N 2 1 226.364 1.221 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCCOCC1)C[NH+](C)C ZINC000926958064 636970447 /nfs/dbraw/zinc/97/04/47/636970447.db2.gz DVSBBJOFYUKWBI-CHWSQXEVSA-N 2 1 244.379 1.112 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CCC1(C)C)C[NH+](C)C ZINC000926957378 636970559 /nfs/dbraw/zinc/97/05/59/636970559.db2.gz APDPOYRICRZSQE-NWDGAFQWSA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)C)C[NH+](C)C ZINC000926964198 636973652 /nfs/dbraw/zinc/97/36/52/636973652.db2.gz WQLXETHQALMKBY-MGPQQGTHSA-N 2 1 242.407 1.977 20 0 BDADMP COc1cccc(C[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000111273313 637097747 /nfs/dbraw/zinc/09/77/47/637097747.db2.gz NSASMVJOQLEBEO-OCCSQVGLSA-N 2 1 248.370 1.983 20 0 BDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718507 637377405 /nfs/dbraw/zinc/37/74/05/637377405.db2.gz NZKKHWVNUBKFPV-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903724849 637378484 /nfs/dbraw/zinc/37/84/84/637378484.db2.gz RDCWNYPZWBOXGB-STQMWFEESA-N 2 1 224.348 1.239 20 0 BDADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC000903722475 637379817 /nfs/dbraw/zinc/37/98/17/637379817.db2.gz BFJJXKXKFUWALB-HABKJSAYSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@]12C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000904461768 637407071 /nfs/dbraw/zinc/40/70/71/637407071.db2.gz DJOFXXGLZOFLSD-JRULLXGZSA-N 2 1 232.371 1.868 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000904462136 637407513 /nfs/dbraw/zinc/40/75/13/637407513.db2.gz NNTSUUDMCGGNRG-AWEZNQCLSA-N 2 1 230.355 1.741 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cccc(=O)[nH]2)CC[NH2+]1 ZINC000904442735 637411769 /nfs/dbraw/zinc/41/17/69/637411769.db2.gz GFNVALRZLYSOLM-RYUDHWBXSA-N 2 1 249.358 1.607 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3cnccc32)CC1 ZINC000904451239 637417320 /nfs/dbraw/zinc/41/73/20/637417320.db2.gz WKSGCBGJRXDBSA-UHFFFAOYSA-N 2 1 227.311 1.816 20 0 BDADMP C[NH+](C)CCn1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905056548 637587428 /nfs/dbraw/zinc/58/74/28/637587428.db2.gz CPBBVTJMUXRWJV-UHFFFAOYSA-N 2 1 239.367 1.070 20 0 BDADMP CC(C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000905057538 637590882 /nfs/dbraw/zinc/59/08/82/637590882.db2.gz YAFSMBHOPRFBIM-UHFFFAOYSA-N 2 1 217.276 1.160 20 0 BDADMP [NH3+]C1(c2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)CC1 ZINC000905323597 637747784 /nfs/dbraw/zinc/74/77/84/637747784.db2.gz FTQKIJKRFBJHSB-VHSXEESVSA-N 2 1 248.330 1.121 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCC1 ZINC000924803229 637816488 /nfs/dbraw/zinc/81/64/88/637816488.db2.gz QJVXBWBECLBMCO-FUNVUKJBSA-N 2 1 208.349 1.716 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)C1CC1)C1CC1 ZINC000905641602 637880650 /nfs/dbraw/zinc/88/06/50/637880650.db2.gz SYRLUBICXLGMRW-CYBMUJFWSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)C1CC1)C1CC1 ZINC000905641602 637880656 /nfs/dbraw/zinc/88/06/56/637880656.db2.gz SYRLUBICXLGMRW-CYBMUJFWSA-N 2 1 240.391 1.467 20 0 BDADMP COc1ccc(C[NH2+]C2CC([NH3+])C2)c(Cl)c1 ZINC000906509234 638180761 /nfs/dbraw/zinc/18/07/61/638180761.db2.gz BOIYPQYTZLCODQ-UHFFFAOYSA-N 2 1 240.734 1.928 20 0 BDADMP CC(C)C[N@@H+](CCC[NH3+])Cc1ccccn1 ZINC000043417509 638310000 /nfs/dbraw/zinc/31/00/00/638310000.db2.gz RQFGPBKBSQTMGS-UHFFFAOYSA-N 2 1 221.348 1.888 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043428075 638322750 /nfs/dbraw/zinc/32/27/50/638322750.db2.gz RXNPTMKGQXEAGH-KGLIPLIRSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930575795 639813064 /nfs/dbraw/zinc/81/30/64/639813064.db2.gz FGSXGXHSHWPSAO-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](CO)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806706 639912616 /nfs/dbraw/zinc/91/26/16/639912616.db2.gz VMUCQXLYKZKJEW-CYBMUJFWSA-N 2 1 249.358 1.365 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3(C)CCC3)C[C@H]21 ZINC000931276727 640125853 /nfs/dbraw/zinc/12/58/53/640125853.db2.gz CJQPQNPINSDLCS-GDNZZTSVSA-N 2 1 208.349 1.668 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3(C)CCC3)C[C@H]21 ZINC000931276727 640125865 /nfs/dbraw/zinc/12/58/65/640125865.db2.gz CJQPQNPINSDLCS-GDNZZTSVSA-N 2 1 208.349 1.668 20 0 BDADMP CO[C@@H](CC(C)C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277573 640129498 /nfs/dbraw/zinc/12/94/98/640129498.db2.gz LPTSWKSNEUNWGA-IGQOVBAYSA-N 2 1 240.391 1.539 20 0 BDADMP CO[C@@H](CC(C)C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277573 640129508 /nfs/dbraw/zinc/12/95/08/640129508.db2.gz LPTSWKSNEUNWGA-IGQOVBAYSA-N 2 1 240.391 1.539 20 0 BDADMP C=C/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277361 640130047 /nfs/dbraw/zinc/13/00/47/640130047.db2.gz OPYWGIDUGIXJPU-JLEMSTGMSA-N 2 1 206.333 1.611 20 0 BDADMP C=C/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277361 640130050 /nfs/dbraw/zinc/13/00/50/640130050.db2.gz OPYWGIDUGIXJPU-JLEMSTGMSA-N 2 1 206.333 1.611 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[Si](C)(C)C)C[C@H]21 ZINC000931279715 640132564 /nfs/dbraw/zinc/13/25/64/640132564.db2.gz PCEDVSSNJCHGPQ-URLYPYJESA-N 2 1 212.413 1.356 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[Si](C)(C)C)C[C@H]21 ZINC000931279715 640132572 /nfs/dbraw/zinc/13/25/72/640132572.db2.gz PCEDVSSNJCHGPQ-URLYPYJESA-N 2 1 212.413 1.356 20 0 BDADMP CC[C@@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OC ZINC000931317048 640142752 /nfs/dbraw/zinc/14/27/52/640142752.db2.gz MNQAMVPLZCLQRE-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)OC ZINC000931317048 640142755 /nfs/dbraw/zinc/14/27/55/640142755.db2.gz MNQAMVPLZCLQRE-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)OC ZINC000931317048 640142759 /nfs/dbraw/zinc/14/27/59/640142759.db2.gz MNQAMVPLZCLQRE-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)OC ZINC000931317048 640142763 /nfs/dbraw/zinc/14/27/63/640142763.db2.gz MNQAMVPLZCLQRE-MELADBBJSA-N 2 1 240.391 1.685 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](CCOC2CCC2)CC1 ZINC000931352310 640161066 /nfs/dbraw/zinc/16/10/66/640161066.db2.gz IKDIOUBNGJVPLW-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](CCCF)CC1 ZINC000931352867 640166790 /nfs/dbraw/zinc/16/67/90/640166790.db2.gz JERFTWOTNWLBGK-UHFFFAOYSA-N 2 1 202.317 1.762 20 0 BDADMP CO[C@@H](C)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353784 640168455 /nfs/dbraw/zinc/16/84/55/640168455.db2.gz DZIWVVAZWYSOFO-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCO3)C[C@@H]2C1 ZINC000931437526 640203762 /nfs/dbraw/zinc/20/37/62/640203762.db2.gz RZAJPYUBJAUSSB-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2C1 ZINC000931437526 640203764 /nfs/dbraw/zinc/20/37/64/640203764.db2.gz RZAJPYUBJAUSSB-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2C1 ZINC000931437526 640203769 /nfs/dbraw/zinc/20/37/69/640203769.db2.gz RZAJPYUBJAUSSB-HZSPNIEDSA-N 2 1 238.375 1.439 20 0 BDADMP COC/C(C)=C\C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443447 640208020 /nfs/dbraw/zinc/20/80/20/640208020.db2.gz YEDRCFBMRBPHKC-IZWIXQHKSA-N 2 1 238.375 1.463 20 0 BDADMP COC/C(C)=C\C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931443447 640208024 /nfs/dbraw/zinc/20/80/24/640208024.db2.gz YEDRCFBMRBPHKC-IZWIXQHKSA-N 2 1 238.375 1.463 20 0 BDADMP COC/C(C)=C\C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931443447 640208028 /nfs/dbraw/zinc/20/80/28/640208028.db2.gz YEDRCFBMRBPHKC-IZWIXQHKSA-N 2 1 238.375 1.463 20 0 BDADMP CSCCC[N@@H+]1CCc2nccc(N)c2C1 ZINC000931511804 640242258 /nfs/dbraw/zinc/24/22/58/640242258.db2.gz AQGFNJQZWYPFIS-UHFFFAOYSA-N 2 1 237.372 1.775 20 0 BDADMP CSCCC[N@H+]1CCc2nccc(N)c2C1 ZINC000931511804 640242262 /nfs/dbraw/zinc/24/22/62/640242262.db2.gz AQGFNJQZWYPFIS-UHFFFAOYSA-N 2 1 237.372 1.775 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924852091 640252879 /nfs/dbraw/zinc/25/28/79/640252879.db2.gz DDVMEDVQNMOLLC-QWHCGFSZSA-N 3 1 225.380 1.012 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924852091 640252885 /nfs/dbraw/zinc/25/28/85/640252885.db2.gz DDVMEDVQNMOLLC-QWHCGFSZSA-N 3 1 225.380 1.012 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(C)[nH+]1 ZINC000931548293 640268550 /nfs/dbraw/zinc/26/85/50/640268550.db2.gz YJABHFDKGPYUKV-GXTWGEPZSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000931548293 640268555 /nfs/dbraw/zinc/26/85/55/640268555.db2.gz YJABHFDKGPYUKV-GXTWGEPZSA-N 2 1 248.374 1.553 20 0 BDADMP CC[C@H](CO)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000931763350 640356136 /nfs/dbraw/zinc/35/61/36/640356136.db2.gz GLSXFWDHJLNGMF-QWHCGFSZSA-N 2 1 249.358 1.363 20 0 BDADMP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)CCO1 ZINC000932346440 640488951 /nfs/dbraw/zinc/48/89/51/640488951.db2.gz IDZBNXOHUAVZER-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CCO1 ZINC000932346440 640488952 /nfs/dbraw/zinc/48/89/52/640488952.db2.gz IDZBNXOHUAVZER-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP CCO[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000932970108 640655443 /nfs/dbraw/zinc/65/54/43/640655443.db2.gz GFDBGMMXHNOAJM-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP CCO[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000932970108 640655446 /nfs/dbraw/zinc/65/54/46/640655446.db2.gz GFDBGMMXHNOAJM-ZDUSSCGKSA-N 2 1 237.347 1.464 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000058124396 640678470 /nfs/dbraw/zinc/67/84/70/640678470.db2.gz HNZQMDRQBZIDTJ-NSHDSACASA-N 2 1 236.363 1.540 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000226317076 640748061 /nfs/dbraw/zinc/74/80/61/640748061.db2.gz YQHCDHPXMMXWAD-GFCCVEGCSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)=CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933732986 640757747 /nfs/dbraw/zinc/75/77/47/640757747.db2.gz XOSWMQJLLRVLHN-OLZOCXBDSA-N 2 1 208.349 1.836 20 0 BDADMP CC(C)=CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933732986 640757751 /nfs/dbraw/zinc/75/77/51/640757751.db2.gz XOSWMQJLLRVLHN-OLZOCXBDSA-N 2 1 208.349 1.836 20 0 BDADMP CC(C)=CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933732986 640757755 /nfs/dbraw/zinc/75/77/55/640757755.db2.gz XOSWMQJLLRVLHN-OLZOCXBDSA-N 2 1 208.349 1.836 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000226420634 640762830 /nfs/dbraw/zinc/76/28/30/640762830.db2.gz OBRUIAHAAXPVET-GFCCVEGCSA-N 2 1 214.353 1.080 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@]2(C)C1 ZINC000933746049 640763025 /nfs/dbraw/zinc/76/30/25/640763025.db2.gz SVZBELWDZYCJOB-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@]2(C)C1 ZINC000933746049 640763031 /nfs/dbraw/zinc/76/30/31/640763031.db2.gz SVZBELWDZYCJOB-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@]2(C)C1 ZINC000933746049 640763033 /nfs/dbraw/zinc/76/30/33/640763033.db2.gz SVZBELWDZYCJOB-UPJWGTAASA-N 2 1 224.348 1.049 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(O)CCCC1 ZINC000087463958 640896188 /nfs/dbraw/zinc/89/61/88/640896188.db2.gz AQTFISFFVFCRTG-UHFFFAOYSA-N 2 1 240.391 1.565 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862696 641101656 /nfs/dbraw/zinc/10/16/56/641101656.db2.gz VYYCEMWLQXVGPX-AWEZNQCLSA-N 2 1 242.407 1.981 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000063047462 641122167 /nfs/dbraw/zinc/12/21/67/641122167.db2.gz JVLQRCFROWJGAL-NSHDSACASA-N 2 1 208.305 1.711 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000063047462 641122171 /nfs/dbraw/zinc/12/21/71/641122171.db2.gz JVLQRCFROWJGAL-NSHDSACASA-N 2 1 208.305 1.711 20 0 BDADMP Cc1noc(C)c1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671009 641191449 /nfs/dbraw/zinc/19/14/49/641191449.db2.gz FCLPNGNOPQTBQA-LBPRGKRZSA-N 2 1 237.347 1.865 20 0 BDADMP Cc1noc(C)c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671009 641191454 /nfs/dbraw/zinc/19/14/54/641191454.db2.gz FCLPNGNOPQTBQA-LBPRGKRZSA-N 2 1 237.347 1.865 20 0 BDADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000061989274 641194299 /nfs/dbraw/zinc/19/42/99/641194299.db2.gz BPUDPUYDYGKENH-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000061989274 641194303 /nfs/dbraw/zinc/19/43/03/641194303.db2.gz BPUDPUYDYGKENH-CYBMUJFWSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)O1 ZINC000232047993 641232077 /nfs/dbraw/zinc/23/20/77/641232077.db2.gz DFADWCSFRGRWNB-IJLUTSLNSA-N 2 1 212.337 1.225 20 0 BDADMP C[N@H+](C[C@H](O)CC1CCCC1)[C@@H](C[NH3+])C1CC1 ZINC000232148851 641249489 /nfs/dbraw/zinc/24/94/89/641249489.db2.gz BSXSLTUYOSJKAO-KGLIPLIRSA-N 2 1 240.391 1.597 20 0 BDADMP C[N@@H+](C[C@H](O)CC1CCCC1)[C@@H](C[NH3+])C1CC1 ZINC000232148851 641249499 /nfs/dbraw/zinc/24/94/99/641249499.db2.gz BSXSLTUYOSJKAO-KGLIPLIRSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000040775177 641537526 /nfs/dbraw/zinc/53/75/26/641537526.db2.gz KPPHOGSYMMAOMD-CPIKKWJDSA-N 2 1 240.391 1.608 20 0 BDADMP CCC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000190266408 641854438 /nfs/dbraw/zinc/85/44/38/641854438.db2.gz LNNIYXJAKHJWMP-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP CCC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000190266408 641854444 /nfs/dbraw/zinc/85/44/44/641854444.db2.gz LNNIYXJAKHJWMP-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP CCC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000190266408 641854449 /nfs/dbraw/zinc/85/44/49/641854449.db2.gz LNNIYXJAKHJWMP-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP CCC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000190266408 641854452 /nfs/dbraw/zinc/85/44/52/641854452.db2.gz LNNIYXJAKHJWMP-GFCCVEGCSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1ccncc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000234359922 642418078 /nfs/dbraw/zinc/41/80/78/642418078.db2.gz GRWZLPODXUQQIC-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccncc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000234359922 642418082 /nfs/dbraw/zinc/41/80/82/642418082.db2.gz GRWZLPODXUQQIC-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000257695554 642508579 /nfs/dbraw/zinc/50/85/79/642508579.db2.gz KCQAURRHXLWITB-RYUDHWBXSA-N 2 1 219.332 1.813 20 0 BDADMP COCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420403273 642724829 /nfs/dbraw/zinc/72/48/29/642724829.db2.gz MZRCSISWZPCTAU-CYBMUJFWSA-N 2 1 226.364 1.631 20 0 BDADMP COCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420403273 642724841 /nfs/dbraw/zinc/72/48/41/642724841.db2.gz MZRCSISWZPCTAU-CYBMUJFWSA-N 2 1 226.364 1.631 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCCCCCO)CC[N@H+]1C ZINC000182147204 642959332 /nfs/dbraw/zinc/95/93/32/642959332.db2.gz IWRQNYMTHIZSSQ-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])NC1CC1)C1CCCC1 ZINC000070946494 643085485 /nfs/dbraw/zinc/08/54/85/643085485.db2.gz PXWLGEXRRAVTDP-UHFFFAOYSA-N 2 1 224.352 1.137 20 0 BDADMP CC(C)CNC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000071379493 643138548 /nfs/dbraw/zinc/13/85/48/643138548.db2.gz XZPPLXXVNCIFJQ-UHFFFAOYSA-N 2 1 240.395 1.631 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCOC1 ZINC000253058118 643156383 /nfs/dbraw/zinc/15/63/83/643156383.db2.gz BMQZTPMXZXJSEN-WSOGJNRSSA-N 2 1 238.375 1.626 20 0 BDADMP Cc1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000082560686 643343727 /nfs/dbraw/zinc/34/37/27/643343727.db2.gz OIVLHNHNKBNMBK-SCZZXKLOSA-N 2 1 225.361 1.397 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000082560951 643512175 /nfs/dbraw/zinc/51/21/75/643512175.db2.gz CUUTUEXSRFELMB-YPMHNXCESA-N 2 1 210.365 1.964 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085014739 643522703 /nfs/dbraw/zinc/52/27/03/643522703.db2.gz URHBYDTXHDXIHN-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085016304 643522767 /nfs/dbraw/zinc/52/27/67/643522767.db2.gz UYSJEDZYCBRQAB-AGIUHOORSA-N 2 1 225.380 1.140 20 0 BDADMP CCc1cc(N2CC[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC000234156872 643543509 /nfs/dbraw/zinc/54/35/09/643543509.db2.gz FEFYASKOAUOQRV-CYBMUJFWSA-N 2 1 234.347 1.523 20 0 BDADMP [NH3+]CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000083985654 643638372 /nfs/dbraw/zinc/63/83/72/643638372.db2.gz YAKUNWGHXAYQHH-ZDUSSCGKSA-N 2 1 204.317 1.652 20 0 BDADMP [NH3+]CC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000083985654 643638378 /nfs/dbraw/zinc/63/83/78/643638378.db2.gz YAKUNWGHXAYQHH-ZDUSSCGKSA-N 2 1 204.317 1.652 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])on1 ZINC000084216583 643650112 /nfs/dbraw/zinc/65/01/12/643650112.db2.gz YBCUHVYYOLPYPZ-JQWIXIFHSA-N 2 1 223.320 1.590 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])on1 ZINC000084216580 643650739 /nfs/dbraw/zinc/65/07/39/643650739.db2.gz YBCUHVYYOLPYPZ-CMPLNLGQSA-N 2 1 223.320 1.590 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846222446 643651028 /nfs/dbraw/zinc/65/10/28/643651028.db2.gz CTTNEWAQPHSHPG-MGPQQGTHSA-N 3 1 241.423 1.811 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCCO1 ZINC000084385789 643659135 /nfs/dbraw/zinc/65/91/35/643659135.db2.gz ZSCGDHLMPDFEAZ-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000050245461 643661930 /nfs/dbraw/zinc/66/19/30/643661930.db2.gz FTGAXWFITNHKGJ-LBPRGKRZSA-N 2 1 232.327 1.402 20 0 BDADMP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050248027 643663358 /nfs/dbraw/zinc/66/33/58/643663358.db2.gz JYKLUUVKOKPREA-LBPRGKRZSA-N 2 1 248.326 1.254 20 0 BDADMP COC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050248027 643663360 /nfs/dbraw/zinc/66/33/60/643663360.db2.gz JYKLUUVKOKPREA-LBPRGKRZSA-N 2 1 248.326 1.254 20 0 BDADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCCO1 ZINC000085015117 643679134 /nfs/dbraw/zinc/67/91/34/643679134.db2.gz RTNQAFUVTPQUBR-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922180637 643895416 /nfs/dbraw/zinc/89/54/16/643895416.db2.gz DLTRTOIOTWDKPX-GFCCVEGCSA-N 2 1 249.358 1.609 20 0 BDADMP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CCC[N@H+]1C ZINC000086188256 643950123 /nfs/dbraw/zinc/95/01/23/643950123.db2.gz CSWBTWKQAQVVQK-LBPRGKRZSA-N 2 1 227.396 1.401 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000922732196 644082744 /nfs/dbraw/zinc/08/27/44/644082744.db2.gz NYUCWGKPKBHSHX-WCBMZHEXSA-N 2 1 236.281 1.869 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H](O)CCc1ccccc1 ZINC000923291526 644317867 /nfs/dbraw/zinc/31/78/67/644317867.db2.gz PHNDNMZWCQJIFL-CQSZACIVSA-N 2 1 236.359 1.261 20 0 BDADMP C[NH2+]C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000923286703 644320740 /nfs/dbraw/zinc/32/07/40/644320740.db2.gz MBFZALNKFVEWME-OAHLLOKOSA-N 2 1 248.370 1.274 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923288772 644323221 /nfs/dbraw/zinc/32/32/21/644323221.db2.gz AOAJPILJNWUNJF-JOYOIKCWSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923288772 644323225 /nfs/dbraw/zinc/32/32/25/644323225.db2.gz AOAJPILJNWUNJF-JOYOIKCWSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923288773 644324387 /nfs/dbraw/zinc/32/43/87/644324387.db2.gz AOAJPILJNWUNJF-SKDRFNHKSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923288773 644324390 /nfs/dbraw/zinc/32/43/90/644324390.db2.gz AOAJPILJNWUNJF-SKDRFNHKSA-N 2 1 237.347 1.715 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000923291132 644326843 /nfs/dbraw/zinc/32/68/43/644326843.db2.gz BDQXTBUKHIJARQ-LSDHHAIUSA-N 2 1 248.370 1.403 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000923291132 644326848 /nfs/dbraw/zinc/32/68/48/644326848.db2.gz BDQXTBUKHIJARQ-LSDHHAIUSA-N 2 1 248.370 1.403 20 0 BDADMP CC(C)OCC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294521 644331706 /nfs/dbraw/zinc/33/17/06/644331706.db2.gz MWYYCRJPWFTPOW-GFCCVEGCSA-N 2 1 246.395 1.079 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923300608 644337232 /nfs/dbraw/zinc/33/72/32/644337232.db2.gz XPGMQCRRDFKTQO-ZDUSSCGKSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923300607 644339032 /nfs/dbraw/zinc/33/90/32/644339032.db2.gz XPGMQCRRDFKTQO-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306124 644342218 /nfs/dbraw/zinc/34/22/18/644342218.db2.gz QOZOTKLCPXFPMJ-NWDGAFQWSA-N 2 1 226.364 1.341 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315726 644342684 /nfs/dbraw/zinc/34/26/84/644342684.db2.gz YXTWXOYDBYFTNP-BJDJZHNGSA-N 2 1 214.353 1.205 20 0 BDADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316593 644343783 /nfs/dbraw/zinc/34/37/83/644343783.db2.gz PJCHNKKIEMQXAJ-JHJVBQTASA-N 2 1 238.375 1.485 20 0 BDADMP CC[N@@H+](CC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316070 644343921 /nfs/dbraw/zinc/34/39/21/644343921.db2.gz PVCKMSFNMRWJJV-LBPRGKRZSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C)CC1 ZINC000923317213 644344623 /nfs/dbraw/zinc/34/46/23/644344623.db2.gz BZWXJHOWKANBPZ-NEPJUHHUSA-N 2 1 238.375 1.485 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309061 644346233 /nfs/dbraw/zinc/34/62/33/644346233.db2.gz IXLYECFVRJYRIK-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)C(C)C ZINC000923308933 644346536 /nfs/dbraw/zinc/34/65/36/644346536.db2.gz KCRDINUAJKDRQY-CHWSQXEVSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CCC(C)C)CC[C@H]1[NH3+] ZINC000923346012 644364530 /nfs/dbraw/zinc/36/45/30/644364530.db2.gz SWQQHKQQXKEVMD-HZSPNIEDSA-N 2 1 242.407 1.843 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H](O)c1ccccc1 ZINC000923368924 644380617 /nfs/dbraw/zinc/38/06/17/644380617.db2.gz HINNNAMPUUMTNG-CHWSQXEVSA-N 2 1 236.359 1.683 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923393292 644403248 /nfs/dbraw/zinc/40/32/48/644403248.db2.gz OBIGSSRMDYBPJQ-SNPRPXQTSA-N 2 1 248.370 1.402 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399455 644404601 /nfs/dbraw/zinc/40/46/01/644404601.db2.gz SDQJGTCSNYAGPH-IHRRRGAJSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923399455 644404608 /nfs/dbraw/zinc/40/46/08/644404608.db2.gz SDQJGTCSNYAGPH-IHRRRGAJSA-N 2 1 240.391 1.597 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923409147 644410781 /nfs/dbraw/zinc/41/07/81/644410781.db2.gz AIPBDPYJIQLSBY-NXEZZACHSA-N 2 1 223.320 1.264 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923409147 644410787 /nfs/dbraw/zinc/41/07/87/644410787.db2.gz AIPBDPYJIQLSBY-NXEZZACHSA-N 2 1 223.320 1.264 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923409632 644411155 /nfs/dbraw/zinc/41/11/55/644411155.db2.gz CMDRKZOVJRQHRE-MCIONIFRSA-N 2 1 242.407 1.844 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000923410563 644411940 /nfs/dbraw/zinc/41/19/40/644411940.db2.gz IIMHALVLXLUJNJ-SNPRPXQTSA-N 2 1 248.370 1.117 20 0 BDADMP CC(C)[C@H]1CN(CCC[NH2+]C2CC2)CC[N@H+]1C ZINC000923412807 644413604 /nfs/dbraw/zinc/41/36/04/644413604.db2.gz BPUQVWDPUOOMBP-CQSZACIVSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(CCC[NH2+]C3CC3)CC[C@H]21 ZINC000923414089 644416166 /nfs/dbraw/zinc/41/61/66/644416166.db2.gz JNKRNKPIFSHILV-TZMCWYRMSA-N 2 1 237.391 1.155 20 0 BDADMP CCCCCC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923414404 644417641 /nfs/dbraw/zinc/41/76/41/644417641.db2.gz VANJMPDHTQEENJ-XQQFMLRXSA-N 2 1 228.380 1.739 20 0 BDADMP CCCCCC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000923414404 644417646 /nfs/dbraw/zinc/41/76/46/644417646.db2.gz VANJMPDHTQEENJ-XQQFMLRXSA-N 2 1 228.380 1.739 20 0 BDADMP CC(=O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923423217 644418481 /nfs/dbraw/zinc/41/84/81/644418481.db2.gz ZXXSBGAGMJYKND-UHFFFAOYSA-N 2 1 224.348 1.430 20 0 BDADMP CCc1noc([C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923486326 644455670 /nfs/dbraw/zinc/45/56/70/644455670.db2.gz PSHOLVJSAVYHAB-VHSXEESVSA-N 2 1 238.335 1.364 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+](C)CCCCCC[NH3+] ZINC000086189420 644458205 /nfs/dbraw/zinc/45/82/05/644458205.db2.gz AEJVRHKJTCPYMA-CYBMUJFWSA-N 2 1 227.396 1.532 20 0 BDADMP CN(CCCCCC[NH3+])C[C@H]1CCC[N@@H+]1C ZINC000086189420 644458210 /nfs/dbraw/zinc/45/82/10/644458210.db2.gz AEJVRHKJTCPYMA-CYBMUJFWSA-N 2 1 227.396 1.532 20 0 BDADMP CN(CCCCCC[NH3+])C[C@H]1CCC[N@H+]1C ZINC000086189420 644458216 /nfs/dbraw/zinc/45/82/16/644458216.db2.gz AEJVRHKJTCPYMA-CYBMUJFWSA-N 2 1 227.396 1.532 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C1CCCC1 ZINC000923481346 644458457 /nfs/dbraw/zinc/45/84/57/644458457.db2.gz QKJULEDYNNTYRY-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480429 644458484 /nfs/dbraw/zinc/45/84/84/644458484.db2.gz YHJHPWFGYPHTIT-ZIAGYGMSSA-N 2 1 242.407 1.988 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)n1 ZINC000923480915 644460274 /nfs/dbraw/zinc/46/02/74/644460274.db2.gz MUOLZDOPGDFNOI-CYBMUJFWSA-N 2 1 233.359 1.869 20 0 BDADMP CCCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484815 644461051 /nfs/dbraw/zinc/46/10/51/644461051.db2.gz NRASMPWUICGSJV-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP Cc1nnsc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488384 644464798 /nfs/dbraw/zinc/46/47/98/644464798.db2.gz DYOABZJFPNGBPJ-SCZZXKLOSA-N 2 1 240.376 1.263 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@@H]1C[NH3+] ZINC000923489404 644465762 /nfs/dbraw/zinc/46/57/62/644465762.db2.gz JNROOINFZBCKNR-ZYHUDNBSSA-N 2 1 249.358 1.969 20 0 BDADMP C[C@@H]1C[N@@H+](CCCc2ccncc2)CC[C@@H]1C[NH3+] ZINC000923492729 644467324 /nfs/dbraw/zinc/46/73/24/644467324.db2.gz CIMJNLROHRKUMR-UKRRQHHQSA-N 2 1 247.386 1.931 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000923492697 644468115 /nfs/dbraw/zinc/46/81/15/644468115.db2.gz CAHMSHVSMKXWBA-ZWNOBZJWSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923494121 644470131 /nfs/dbraw/zinc/47/01/31/644470131.db2.gz KNMUQTVMMRAPSV-RISCZKNCSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1nnc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)[nH]1 ZINC000923493484 644470419 /nfs/dbraw/zinc/47/04/19/644470419.db2.gz HEXPXLGRNDXCPR-ATZCPNFKSA-N 2 1 237.351 1.091 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493930 644470583 /nfs/dbraw/zinc/47/05/83/644470583.db2.gz JKESLHVMBBOWDW-DGCLKSJQSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ncn1 ZINC000923493493 644471164 /nfs/dbraw/zinc/47/11/64/644471164.db2.gz HFJMTEISVLECLT-JQWIXIFHSA-N 2 1 234.347 1.202 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1C[NH3+] ZINC000923497537 644473203 /nfs/dbraw/zinc/47/32/03/644473203.db2.gz LZZKQOHSOLOXTD-CMPLNLGQSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1C[NH3+] ZINC000923500778 644473845 /nfs/dbraw/zinc/47/38/45/644473845.db2.gz PBPZDPRCDLLGEX-VHSXEESVSA-N 2 1 209.293 1.091 20 0 BDADMP c1cc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccn1 ZINC000923521273 644484042 /nfs/dbraw/zinc/48/40/42/644484042.db2.gz LRNDPGOTEPMJFM-LSDHHAIUSA-N 2 1 245.370 1.556 20 0 BDADMP Cn1c[nH+]cc1CCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531133 644485946 /nfs/dbraw/zinc/48/59/46/644485946.db2.gz PLIJBNBPUHKWRL-AWEZNQCLSA-N 2 1 248.374 1.181 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923531637 644488014 /nfs/dbraw/zinc/48/80/14/644488014.db2.gz UHTVCSQATCYPBE-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923531637 644488019 /nfs/dbraw/zinc/48/80/19/644488019.db2.gz UHTVCSQATCYPBE-MJBXVCDLSA-N 2 1 238.375 1.629 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000091662641 644634154 /nfs/dbraw/zinc/63/41/54/644634154.db2.gz OCOGTVGIXAUNPW-RDBSUJKOSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000091662641 644634157 /nfs/dbraw/zinc/63/41/57/644634157.db2.gz OCOGTVGIXAUNPW-RDBSUJKOSA-N 2 1 238.375 1.628 20 0 BDADMP CCn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000091847634 644641741 /nfs/dbraw/zinc/64/17/41/644641741.db2.gz RSJJKBXPTJCBKP-UHFFFAOYSA-N 2 1 236.363 1.605 20 0 BDADMP C[N@@H+](C[C@@H](O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091846536 644642577 /nfs/dbraw/zinc/64/25/77/644642577.db2.gz RRWULWGSXFCMJG-YMAMQOFZSA-N 2 1 248.370 1.922 20 0 BDADMP CN(C)c1cc[nH+]c(NCC2=CC[N@H+](C)CC2)n1 ZINC000760581090 644649113 /nfs/dbraw/zinc/64/91/13/644649113.db2.gz WIBVKUPPPQBHHI-UHFFFAOYSA-N 2 1 247.346 1.216 20 0 BDADMP CN(C)c1cc[nH+]c(NCC2=CC[N@@H+](C)CC2)n1 ZINC000760581090 644649116 /nfs/dbraw/zinc/64/91/16/644649116.db2.gz WIBVKUPPPQBHHI-UHFFFAOYSA-N 2 1 247.346 1.216 20 0 BDADMP CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251036592 644790130 /nfs/dbraw/zinc/79/01/30/644790130.db2.gz BLVJJIQIMAPRCJ-AVGNSLFASA-N 2 1 226.364 1.364 20 0 BDADMP CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251036592 644790133 /nfs/dbraw/zinc/79/01/33/644790133.db2.gz BLVJJIQIMAPRCJ-AVGNSLFASA-N 2 1 226.364 1.364 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251377444 644803073 /nfs/dbraw/zinc/80/30/73/644803073.db2.gz GZYFNWQUVTYFCN-CHWSQXEVSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252565351 644867078 /nfs/dbraw/zinc/86/70/78/644867078.db2.gz YUJMAAFWGKFQCS-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252565351 644867079 /nfs/dbraw/zinc/86/70/79/644867079.db2.gz YUJMAAFWGKFQCS-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252746065 644896726 /nfs/dbraw/zinc/89/67/26/644896726.db2.gz BDUTZANBONMRHU-KTCIRNNBSA-N 2 1 226.364 1.361 20 0 BDADMP CC[N@@H+](CCc1ccccn1)C[C@]1(C)CC[NH2+]C1 ZINC000843060110 645256495 /nfs/dbraw/zinc/25/64/95/645256495.db2.gz DBTIJXGJIKBMCU-OAHLLOKOSA-N 2 1 247.386 1.946 20 0 BDADMP C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000843129432 645266862 /nfs/dbraw/zinc/26/68/62/645266862.db2.gz UADQNHGSKWTZIM-SMDDNHRTSA-N 2 1 233.359 1.375 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000926548862 645271078 /nfs/dbraw/zinc/27/10/78/645271078.db2.gz CUQSLDPRLQPICK-UZSCSNNJSA-N 2 1 234.387 1.962 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843367434 645284835 /nfs/dbraw/zinc/28/48/35/645284835.db2.gz HIKXYTXAJCOGPZ-AWEZNQCLSA-N 3 1 239.407 1.581 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000926572097 645289203 /nfs/dbraw/zinc/28/92/03/645289203.db2.gz FXQNMAJGHSUQNE-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C(C)(C)CO ZINC000926751988 645403789 /nfs/dbraw/zinc/40/37/89/645403789.db2.gz BWDAUVRIPRBPCH-CHWSQXEVSA-N 2 1 242.407 1.715 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487228 645463802 /nfs/dbraw/zinc/46/38/02/645463802.db2.gz LYJLVFDMTFCKSB-RNJOBUHISA-N 2 1 237.391 1.057 20 0 BDADMP CN1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487228 645463811 /nfs/dbraw/zinc/46/38/11/645463811.db2.gz LYJLVFDMTFCKSB-RNJOBUHISA-N 2 1 237.391 1.057 20 0 BDADMP C([NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2)[C@]12C[C@H]1CCC2 ZINC000927120457 645556131 /nfs/dbraw/zinc/55/61/31/645556131.db2.gz FDFQDEJPSNWGCX-CRWXNKLISA-N 2 1 220.360 1.860 20 0 BDADMP C([NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2)[C@]12C[C@H]1CCC2 ZINC000927120457 645556134 /nfs/dbraw/zinc/55/61/34/645556134.db2.gz FDFQDEJPSNWGCX-CRWXNKLISA-N 2 1 220.360 1.860 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)nc1 ZINC000857783148 645666906 /nfs/dbraw/zinc/66/69/06/645666906.db2.gz WLNZHERMPLRZTP-UHFFFAOYSA-N 2 1 234.278 1.287 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000925482365 645865866 /nfs/dbraw/zinc/86/58/66/645865866.db2.gz QVOXABCZBOCKQS-WDEREUQCSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](CNC(=[NH2+])NC(C)(C)C)[N@@H+](C)C1CC1 ZINC000221887745 645894105 /nfs/dbraw/zinc/89/41/05/645894105.db2.gz WYWGMKXUDREOBH-SECBINFHSA-N 2 1 226.368 1.382 20 0 BDADMP CC[NH+]1CCC([NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924571805 646072509 /nfs/dbraw/zinc/07/25/09/646072509.db2.gz WOOYRSXPLGJNIZ-VXGBXAGGSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](C)CC1 ZINC000924576825 646073174 /nfs/dbraw/zinc/07/31/74/646073174.db2.gz YGTZQYWLYPJZLO-OCCSQVGLSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)CO ZINC000924576364 646073509 /nfs/dbraw/zinc/07/35/09/646073509.db2.gz QUSWPVKFSWJDJG-JTQLQIEISA-N 2 1 214.353 1.077 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1COC[C@H]1C ZINC000924950790 646139375 /nfs/dbraw/zinc/13/93/75/646139375.db2.gz KVJORVWTUWFSMR-NQBHXWOUSA-N 2 1 237.347 1.452 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+]C1CC2(C1)CCCC2 ZINC000924992674 646152753 /nfs/dbraw/zinc/15/27/53/646152753.db2.gz NOMKOGWESKAZDG-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)CO ZINC000925143577 646192651 /nfs/dbraw/zinc/19/26/51/646192651.db2.gz QWLSSBKLLNMXER-IJLUTSLNSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)CO ZINC000925143577 646192656 /nfs/dbraw/zinc/19/26/56/646192656.db2.gz QWLSSBKLLNMXER-IJLUTSLNSA-N 2 1 228.380 1.466 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1COC[C@H]1C ZINC000925134156 646193749 /nfs/dbraw/zinc/19/37/49/646193749.db2.gz PLBUBYKACMJBIF-DGCLKSJQSA-N 2 1 237.347 1.596 20 0 BDADMP CC1CC(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000929637264 646209640 /nfs/dbraw/zinc/20/96/40/646209640.db2.gz GCGHKOUDIQTZSG-CPCZMJQVSA-N 2 1 210.365 1.916 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccnnc1 ZINC000925219111 646211852 /nfs/dbraw/zinc/21/18/52/646211852.db2.gz BVSJVTLZLBVXIJ-YUTCNCBUSA-N 2 1 248.374 2.000 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCc2cccnc2)C1 ZINC000929637479 646215101 /nfs/dbraw/zinc/21/51/01/646215101.db2.gz JFCFWPVKZNFQHS-HNNXBMFYSA-N 2 1 247.386 1.898 20 0 BDADMP COC/C(C)=C\C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637260 646216713 /nfs/dbraw/zinc/21/67/13/646216713.db2.gz GAHXWTVOVVDKMV-QWGHSUKYSA-N 2 1 226.364 1.463 20 0 BDADMP COC/C(C)=C\C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637260 646216724 /nfs/dbraw/zinc/21/67/24/646216724.db2.gz GAHXWTVOVVDKMV-QWGHSUKYSA-N 2 1 226.364 1.463 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCCO1 ZINC000925247896 646221052 /nfs/dbraw/zinc/22/10/52/646221052.db2.gz CSIFGDIHWILSAO-PIGZVRMJSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(F)cn1 ZINC000925286487 646231713 /nfs/dbraw/zinc/23/17/13/646231713.db2.gz WAOKCBNAZOAQIB-BVUQATHDSA-N 2 1 249.333 1.651 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(F)cn1 ZINC000925286487 646231723 /nfs/dbraw/zinc/23/17/23/646231723.db2.gz WAOKCBNAZOAQIB-BVUQATHDSA-N 2 1 249.333 1.651 20 0 BDADMP CC[C@H](CO)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689127 646247098 /nfs/dbraw/zinc/24/70/98/646247098.db2.gz BWJPJHIFSDRIBD-ZIAGYGMSSA-N 2 1 240.391 1.708 20 0 BDADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925479013 646292233 /nfs/dbraw/zinc/29/22/33/646292233.db2.gz PRGOHOSHIJCMRE-CHWSQXEVSA-N 2 1 240.391 1.658 20 0 BDADMP CCc1cc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)[nH]n1 ZINC000925487784 646299966 /nfs/dbraw/zinc/29/99/66/646299966.db2.gz FPSLKUYXSXYTFS-NEPJUHHUSA-N 2 1 234.347 1.332 20 0 BDADMP CCc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)[nH]n1 ZINC000925487784 646299971 /nfs/dbraw/zinc/29/99/71/646299971.db2.gz FPSLKUYXSXYTFS-NEPJUHHUSA-N 2 1 234.347 1.332 20 0 BDADMP CCN(CC)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925501490 646304229 /nfs/dbraw/zinc/30/42/29/646304229.db2.gz ICBRBRMEQIWSNA-OLZOCXBDSA-N 2 1 241.423 1.824 20 0 BDADMP c1cn(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925509895 646308169 /nfs/dbraw/zinc/30/81/69/646308169.db2.gz PMLJQQVRPVBQSG-LBPRGKRZSA-N 2 1 234.347 1.147 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925510339 646309081 /nfs/dbraw/zinc/30/90/81/646309081.db2.gz UZNVRUWGBQKIGY-QWHCGFSZSA-N 2 1 237.391 1.345 20 0 BDADMP C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925543337 646324733 /nfs/dbraw/zinc/32/47/33/646324733.db2.gz MPSIEIGORQOYRP-NWDGAFQWSA-N 2 1 234.347 1.146 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925553421 646329106 /nfs/dbraw/zinc/32/91/06/646329106.db2.gz RHYXSSPCLPPLBQ-KGYLQXTDSA-N 2 1 237.391 1.199 20 0 BDADMP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000925554101 646331168 /nfs/dbraw/zinc/33/11/68/646331168.db2.gz WBFOTDZDUHUNQJ-BFHYXJOUSA-N 2 1 249.402 1.487 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925557289 646333065 /nfs/dbraw/zinc/33/30/65/646333065.db2.gz NNRGJZMCIRLZDF-CHWSQXEVSA-N 2 1 241.423 1.822 20 0 BDADMP CC(C)N(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925557289 646333070 /nfs/dbraw/zinc/33/30/70/646333070.db2.gz NNRGJZMCIRLZDF-CHWSQXEVSA-N 2 1 241.423 1.822 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925573490 646342460 /nfs/dbraw/zinc/34/24/60/646342460.db2.gz OAQOMDMSKPFQCX-MGPQQGTHSA-N 2 1 239.407 1.591 20 0 BDADMP c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925585691 646347017 /nfs/dbraw/zinc/34/70/17/646347017.db2.gz VBZQHTZWKDSPPX-AAEUAGOBSA-N 2 1 246.358 1.141 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH2+]C1(C)C ZINC000925605118 646354640 /nfs/dbraw/zinc/35/46/40/646354640.db2.gz BXBHCDXITDJKMZ-LBPRGKRZSA-N 2 1 227.396 1.447 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)o1 ZINC000925606325 646356644 /nfs/dbraw/zinc/35/66/44/646356644.db2.gz NENYCHOECGDZFM-LBPRGKRZSA-N 2 1 222.332 1.861 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925610071 646360563 /nfs/dbraw/zinc/36/05/63/646360563.db2.gz CJBLATVGLUUURI-JQWIXIFHSA-N 2 1 214.353 1.268 20 0 BDADMP Cc1ncc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)s1 ZINC000925616149 646364502 /nfs/dbraw/zinc/36/45/02/646364502.db2.gz KIGRXAMEAHMBGY-LLVKDONJSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000925616370 646365907 /nfs/dbraw/zinc/36/59/07/646365907.db2.gz RQZDGJAPXNACRS-ZDEQEGDKSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000925641443 646382045 /nfs/dbraw/zinc/38/20/45/646382045.db2.gz YCQMYOUUCDOYKT-DOERSZECSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCCCO)c1ccccc1 ZINC000925653757 646391159 /nfs/dbraw/zinc/39/11/59/646391159.db2.gz NSBHJKSWWKVOLY-TZMCWYRMSA-N 2 1 236.359 1.827 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000925663752 646398508 /nfs/dbraw/zinc/39/85/08/646398508.db2.gz VTMRAQASAAVEHK-CQSZACIVSA-N 2 1 245.370 1.807 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000925668885 646400086 /nfs/dbraw/zinc/40/00/86/646400086.db2.gz LIAQFNFYPQSDEP-OBJOEFQTSA-N 2 1 246.354 1.893 20 0 BDADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925671660 646400878 /nfs/dbraw/zinc/40/08/78/646400878.db2.gz SHTXOVCQNMTDIF-XQHKEYJVSA-N 2 1 226.364 1.389 20 0 BDADMP OC[C@@H](CC1CCC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925674218 646402968 /nfs/dbraw/zinc/40/29/68/646402968.db2.gz QAVLDQLXABKGSA-CHWSQXEVSA-N 2 1 238.375 1.412 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925680704 646409130 /nfs/dbraw/zinc/40/91/30/646409130.db2.gz KUWSYWWBYQPPIU-UWVGGRQHSA-N 2 1 214.353 1.266 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925680703 646409446 /nfs/dbraw/zinc/40/94/46/646409446.db2.gz KUWSYWWBYQPPIU-NXEZZACHSA-N 2 1 214.353 1.266 20 0 BDADMP C[NH2+]CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925690364 646410980 /nfs/dbraw/zinc/41/09/80/646410980.db2.gz JEOVMVQTQLFPCR-QWRGUYRKSA-N 3 1 213.369 1.092 20 0 BDADMP COCC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925686412 646413250 /nfs/dbraw/zinc/41/32/50/646413250.db2.gz SWJODAPKNAAYHX-SDDRHHMPSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000925688113 646414118 /nfs/dbraw/zinc/41/41/18/646414118.db2.gz CZYHGRIWPOWXIY-NDBYEHHHSA-N 2 1 226.364 1.268 20 0 BDADMP OCC1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925688643 646414373 /nfs/dbraw/zinc/41/43/73/646414373.db2.gz FWKRBHCYMROQTQ-NSHDSACASA-N 2 1 224.348 1.023 20 0 BDADMP [NH3+]CCC[C@H]([NH2+]CCNC1CC1)c1ccccc1 ZINC000925691810 646418094 /nfs/dbraw/zinc/41/80/94/646418094.db2.gz KAFOGFHCFXHXBV-HNNXBMFYSA-N 2 1 247.386 1.808 20 0 BDADMP CO[C@@H]([C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925692043 646418375 /nfs/dbraw/zinc/41/83/75/646418375.db2.gz YRSUAYZKIGGSLK-RTXFEEFZSA-N 2 1 238.375 1.674 20 0 BDADMP CC1(C[NH2+][C@@H]2C[C@H](N)C23CCC3)CC[NH2+]CC1 ZINC000925697402 646422258 /nfs/dbraw/zinc/42/22/58/646422258.db2.gz FTJCDVVXMSZQKB-NWDGAFQWSA-N 2 1 237.391 1.236 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCCCO ZINC000925701416 646425137 /nfs/dbraw/zinc/42/51/37/646425137.db2.gz ZFAMCMGRBQYTPB-PBWFPOADSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925701758 646425389 /nfs/dbraw/zinc/42/53/89/646425389.db2.gz DXPXAYJBEKVMKQ-YPMHNXCESA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925701755 646425424 /nfs/dbraw/zinc/42/54/24/646425424.db2.gz DXPXAYJBEKVMKQ-AAEUAGOBSA-N 3 1 225.380 1.106 20 0 BDADMP N[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C12CCC2 ZINC000925702049 646427585 /nfs/dbraw/zinc/42/75/85/646427585.db2.gz JWBJHEUTRFIGHD-QWHCGFSZSA-N 2 1 237.391 1.236 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000925705390 646429363 /nfs/dbraw/zinc/42/93/63/646429363.db2.gz BDAXVOUYUSCYJO-FVCCEPFGSA-N 2 1 236.359 1.571 20 0 BDADMP C1CC12C[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925705572 646430905 /nfs/dbraw/zinc/43/09/05/646430905.db2.gz LBPIRFXESVATCR-GHMZBOCLSA-N 2 1 206.333 1.803 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925708244 646432793 /nfs/dbraw/zinc/43/27/93/646432793.db2.gz REBWWOABXNGTOX-NWDGAFQWSA-N 2 1 225.380 1.201 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925708243 646432812 /nfs/dbraw/zinc/43/28/12/646432812.db2.gz REBWWOABXNGTOX-NEPJUHHUSA-N 2 1 225.380 1.201 20 0 BDADMP CCC(C)(C)[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925710954 646436486 /nfs/dbraw/zinc/43/64/86/646436486.db2.gz YOQJDKNQFZQARV-GHMZBOCLSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@H](CCC[NH3+])N[C@H]1CC[NH2+]C12CCCC2 ZINC000925712920 646439497 /nfs/dbraw/zinc/43/94/97/646439497.db2.gz VZZNEVGAUXXHEK-NEPJUHHUSA-N 2 1 225.380 1.378 20 0 BDADMP CCn1nccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925715625 646441556 /nfs/dbraw/zinc/44/15/56/646441556.db2.gz FQFIWHQMYJOGRH-NWDGAFQWSA-N 2 1 234.347 1.263 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925726182 646451138 /nfs/dbraw/zinc/45/11/38/646451138.db2.gz FVCHYRRDXDVTNL-XVIXHAIJSA-N 2 1 249.402 1.377 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000925726180 646452642 /nfs/dbraw/zinc/45/26/42/646452642.db2.gz FVCHYRRDXDVTNL-ITGHMWBKSA-N 2 1 249.402 1.377 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000925729177 646454050 /nfs/dbraw/zinc/45/40/50/646454050.db2.gz JEJFBKQRQKPVLP-SRVKXCTJSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cnccc1N ZINC000925737369 646459947 /nfs/dbraw/zinc/45/99/47/646459947.db2.gz NKLBITFVIHEWQO-VIFPVBQESA-N 3 1 222.336 1.272 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000925760400 646466625 /nfs/dbraw/zinc/46/66/25/646466625.db2.gz MJWDEHFEZYHINM-OLZOCXBDSA-N 3 1 239.407 1.578 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000925761802 646467275 /nfs/dbraw/zinc/46/72/75/646467275.db2.gz ZITBFEKQLRUANH-MNOVXSKESA-N 3 1 213.369 1.316 20 0 BDADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(C)n1 ZINC000925788666 646485422 /nfs/dbraw/zinc/48/54/22/646485422.db2.gz AKXDYQPDRAWUCV-BREBYQMCSA-N 2 1 248.374 1.600 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000925800282 646487254 /nfs/dbraw/zinc/48/72/54/646487254.db2.gz YHIATTDEMVERIU-AAVRWANBSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000925800282 646487258 /nfs/dbraw/zinc/48/72/58/646487258.db2.gz YHIATTDEMVERIU-AAVRWANBSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(N(C)C)ccn1 ZINC000925813486 646491600 /nfs/dbraw/zinc/49/16/00/646491600.db2.gz TZNNRAVCJGHRKF-QWRGUYRKSA-N 2 1 236.363 1.363 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000925824429 646496798 /nfs/dbraw/zinc/49/67/98/646496798.db2.gz SVSXAOJLCHDBCB-JOLBHGKHSA-N 2 1 208.349 1.619 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC=CC1 ZINC000925830355 646501095 /nfs/dbraw/zinc/50/10/95/646501095.db2.gz CVEONTAXYUSJHC-DGCLKSJQSA-N 2 1 208.349 1.930 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000925857538 646511650 /nfs/dbraw/zinc/51/16/50/646511650.db2.gz MLVATSKNOVMICF-XQQFMLRXSA-N 2 1 228.380 1.658 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000925879418 646528649 /nfs/dbraw/zinc/52/86/49/646528649.db2.gz DLDRNCCOOGWOBU-UXOAXIEHSA-N 3 1 247.386 1.792 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000926224419 646598309 /nfs/dbraw/zinc/59/83/09/646598309.db2.gz PFEIPTHCZDVIDV-UCEQBCCISA-N 2 1 238.375 1.076 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CCO)CC1 ZINC000926229018 646600012 /nfs/dbraw/zinc/60/00/12/646600012.db2.gz RKLBVBXYEFLCPI-FUNVUKJBSA-N 2 1 238.375 1.079 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926425097 646635124 /nfs/dbraw/zinc/63/51/24/646635124.db2.gz WOBITHQSWXNWSG-BFHYXJOUSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926425097 646635132 /nfs/dbraw/zinc/63/51/32/646635132.db2.gz WOBITHQSWXNWSG-BFHYXJOUSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000382658243 711547054 /nfs/dbraw/zinc/54/70/54/711547054.db2.gz MKGRJSVJBRMZFX-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000382658243 711547056 /nfs/dbraw/zinc/54/70/56/711547056.db2.gz MKGRJSVJBRMZFX-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1[nH]c(CN2CC[C@H](C[NH+](C)C)C2)c(C)[nH+]1 ZINC000724775802 711612656 /nfs/dbraw/zinc/61/26/56/711612656.db2.gz INAZLOPYXZWIPG-GFCCVEGCSA-N 2 1 236.363 1.410 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CC2)CCCO1 ZINC000313348410 711718719 /nfs/dbraw/zinc/71/87/19/711718719.db2.gz UEZPRZDCBFBULJ-GFCCVEGCSA-N 2 1 212.337 1.226 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622187 711771094 /nfs/dbraw/zinc/77/10/94/711771094.db2.gz IVJRZULEFHURKF-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622187 711771095 /nfs/dbraw/zinc/77/10/95/711771095.db2.gz IVJRZULEFHURKF-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000721905745 711813692 /nfs/dbraw/zinc/81/36/92/711813692.db2.gz FFRRFDJMFKDEFT-BETUJISGSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000704774348 712116511 /nfs/dbraw/zinc/11/65/11/712116511.db2.gz WFAZRVRGIDSNBM-TUAOUCFPSA-N 2 1 228.405 1.860 20 0 BDADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)on1 ZINC000705594053 712131862 /nfs/dbraw/zinc/13/18/62/712131862.db2.gz UXEJDLZKFPGXQF-UHFFFAOYSA-N 2 1 239.319 1.385 20 0 BDADMP Cn1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000706125030 712140080 /nfs/dbraw/zinc/14/00/80/712140080.db2.gz RTBXKGDNNDSYOC-SECBINFHSA-N 2 1 242.754 1.244 20 0 BDADMP Cn1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000706125030 712140082 /nfs/dbraw/zinc/14/00/82/712140082.db2.gz RTBXKGDNNDSYOC-SECBINFHSA-N 2 1 242.754 1.244 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)CCc1cccs1 ZINC000706655005 712151424 /nfs/dbraw/zinc/15/14/24/712151424.db2.gz HCBZVQBVMXGOGB-UHFFFAOYSA-N 2 1 242.388 1.458 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708322816 712187354 /nfs/dbraw/zinc/18/73/54/712187354.db2.gz HTLNNJBODGNBGS-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000708338523 712188950 /nfs/dbraw/zinc/18/89/50/712188950.db2.gz DLQLYUGQQBEQRL-LLVKDONJSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708338121 712189172 /nfs/dbraw/zinc/18/91/72/712189172.db2.gz REWYFXMKEPDTOI-TUAOUCFPSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1C[NH3+] ZINC000708862634 712201166 /nfs/dbraw/zinc/20/11/66/712201166.db2.gz PNXQNHKANZFPMT-GHMZBOCLSA-N 2 1 224.373 1.817 20 0 BDADMP COC1(OC)CC[C@@H]1[NH2+][C@H](C)CC[NH+](C)C ZINC000710962439 712269130 /nfs/dbraw/zinc/26/91/30/712269130.db2.gz SRBNHCCZKLCQHK-MNOVXSKESA-N 2 1 230.352 1.068 20 0 BDADMP COC1(OC)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000710985681 712271786 /nfs/dbraw/zinc/27/17/86/712271786.db2.gz CHCFYKRRFXOXIP-LLVKDONJSA-N 2 1 244.379 1.315 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCC2(CCC2)O1 ZINC000712436676 712429860 /nfs/dbraw/zinc/42/98/60/712429860.db2.gz GLYXRWZMWXQNDD-NSHDSACASA-N 2 1 212.337 1.369 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCCO ZINC000717429395 712657367 /nfs/dbraw/zinc/65/73/67/712657367.db2.gz INZLSMPNLZXDIX-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCCO ZINC000717429395 712657368 /nfs/dbraw/zinc/65/73/68/712657368.db2.gz INZLSMPNLZXDIX-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCCCO ZINC000717429395 712657369 /nfs/dbraw/zinc/65/73/69/712657369.db2.gz INZLSMPNLZXDIX-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCCCO ZINC000717429395 712657370 /nfs/dbraw/zinc/65/73/70/712657370.db2.gz INZLSMPNLZXDIX-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1CCCC[NH2+]1 ZINC000380213353 712727171 /nfs/dbraw/zinc/72/71/71/712727171.db2.gz IPLMRXXAGOMZHX-AVGNSLFASA-N 2 1 224.348 1.799 20 0 BDADMP C[C@H]1[C@@H](Nc2cc[nH+]cc2Cl)CC[N@H+]1C ZINC000719570485 712811139 /nfs/dbraw/zinc/81/11/39/712811139.db2.gz OMWBHBSCMFWKBX-WPRPVWTQSA-N 2 1 225.723 1.661 20 0 BDADMP C[C@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719843972 712825530 /nfs/dbraw/zinc/82/55/30/712825530.db2.gz FUPOMYLHYUEYBW-QWRGUYRKSA-N 2 1 239.388 1.602 20 0 BDADMP c1cc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)sn1 ZINC000719845416 712825447 /nfs/dbraw/zinc/82/54/47/712825447.db2.gz OHIUJEWDPISPLM-JQWIXIFHSA-N 2 1 237.372 1.369 20 0 BDADMP c1cc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)sn1 ZINC000719845416 712825448 /nfs/dbraw/zinc/82/54/48/712825448.db2.gz OHIUJEWDPISPLM-JQWIXIFHSA-N 2 1 237.372 1.369 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2nocc2C)CC1 ZINC000720372672 712836592 /nfs/dbraw/zinc/83/65/92/712836592.db2.gz JYPZYHFSKZRPOR-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc[nH]1 ZINC000381402684 710633418 /nfs/dbraw/zinc/63/34/18/710633418.db2.gz RNHTUVZJOSLIFQ-UHFFFAOYSA-N 2 1 219.292 1.095 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000721909214 710689010 /nfs/dbraw/zinc/68/90/10/710689010.db2.gz RBSSESJGOITJGP-WUHRBBMRSA-N 2 1 226.364 1.471 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)C1 ZINC000721909307 710688867 /nfs/dbraw/zinc/68/88/67/710688867.db2.gz RDSLMQGQDJRYDA-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1CC[NH3+] ZINC000723886565 710732880 /nfs/dbraw/zinc/73/28/80/710732880.db2.gz LCWMPMUNRLHXSQ-MCIONIFRSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)=CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000393908982 710823809 /nfs/dbraw/zinc/82/38/09/710823809.db2.gz QWMZRIUGZYVBTC-NWBUJAPZSA-N 2 1 206.333 1.539 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1C[NH3+] ZINC000133088815 710968336 /nfs/dbraw/zinc/96/83/36/710968336.db2.gz ILFNAAFORSEAOE-DGCLKSJQSA-N 2 1 226.364 1.330 20 0 BDADMP CC(C)C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000382657856 710973761 /nfs/dbraw/zinc/97/37/61/710973761.db2.gz HERGCSIYAWLXIQ-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000382657856 710973763 /nfs/dbraw/zinc/97/37/63/710973763.db2.gz HERGCSIYAWLXIQ-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CCCC[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000383584801 710983616 /nfs/dbraw/zinc/98/36/16/710983616.db2.gz MRNGYKASHWRHCN-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CCCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000383584801 710983617 /nfs/dbraw/zinc/98/36/17/710983617.db2.gz MRNGYKASHWRHCN-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP Cc1nccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000380641781 712902137 /nfs/dbraw/zinc/90/21/37/712902137.db2.gz UFCMEQGVYUJDKI-AGUYFDCRSA-N 2 1 248.374 1.406 20 0 BDADMP CC[N@@H+](CCC1CC1)C[C@@H](O)CN1CCCC1 ZINC000385380260 711011640 /nfs/dbraw/zinc/01/16/40/711011640.db2.gz ZZRQMDQZNRTONQ-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+](CCC1CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000385380260 711011642 /nfs/dbraw/zinc/01/16/42/711011642.db2.gz ZZRQMDQZNRTONQ-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@@H+](CCC1CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000385380260 711011643 /nfs/dbraw/zinc/01/16/43/711011643.db2.gz ZZRQMDQZNRTONQ-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C1 ZINC000389239191 711074011 /nfs/dbraw/zinc/07/40/11/711074011.db2.gz XMCPFFMRQXNANY-HRDYMLBCSA-N 2 1 206.280 1.747 20 0 BDADMP C(C1CCCC1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000389612308 711082981 /nfs/dbraw/zinc/08/29/81/711082981.db2.gz DWAHMMBHFIIIBJ-QWHCGFSZSA-N 2 1 208.349 1.718 20 0 BDADMP CSCC[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000390641145 711129290 /nfs/dbraw/zinc/12/92/90/711129290.db2.gz MXGDQUMHYPHFBP-PWSUYJOCSA-N 2 1 246.420 1.173 20 0 BDADMP CSCC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000390641145 711129292 /nfs/dbraw/zinc/12/92/92/711129292.db2.gz MXGDQUMHYPHFBP-PWSUYJOCSA-N 2 1 246.420 1.173 20 0 BDADMP Cn1c(Cl)cnc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000393378285 711157612 /nfs/dbraw/zinc/15/76/12/711157612.db2.gz UQOFGCKILXMBJQ-IUCAKERBSA-N 2 1 242.754 1.433 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000393795191 711175144 /nfs/dbraw/zinc/17/51/44/711175144.db2.gz IJYIKOWGHMHXCZ-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP CC(C)CCOCC[NH2+][C@@H]1CCCN[C@H]1C ZINC000396638165 711361476 /nfs/dbraw/zinc/36/14/76/711361476.db2.gz LVANUSFUXCFGMA-QWHCGFSZSA-N 2 1 228.380 1.779 20 0 BDADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396592274 711354515 /nfs/dbraw/zinc/35/45/15/711354515.db2.gz KDBGRNYSCPFVOX-SDDRHHMPSA-N 2 1 241.379 1.021 20 0 BDADMP COCCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396561891 711355414 /nfs/dbraw/zinc/35/54/14/711355414.db2.gz IGBOVNGPTOCYEA-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000396587449 711356835 /nfs/dbraw/zinc/35/68/35/711356835.db2.gz IGFXKECSQUJYFT-OLZOCXBDSA-N 2 1 240.391 1.659 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000396576469 711358101 /nfs/dbraw/zinc/35/81/01/711358101.db2.gz CPYLXWHXYXOPIV-RYUDHWBXSA-N 2 1 226.364 1.269 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000396602617 711358420 /nfs/dbraw/zinc/35/84/20/711358420.db2.gz NVNJLCCCBIMLJO-XQQFMLRXSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000396604320 711359055 /nfs/dbraw/zinc/35/90/55/711359055.db2.gz IAHOHOVKBPHSHB-LPWJVIDDSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000396708655 711364463 /nfs/dbraw/zinc/36/44/63/711364463.db2.gz OKBOFTFNFROMII-ZYHUDNBSSA-N 2 1 208.349 1.907 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396724123 711369542 /nfs/dbraw/zinc/36/95/42/711369542.db2.gz XRRYQWMCFJYHAS-QJPTWQEYSA-N 2 1 214.353 1.124 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399283266 711425463 /nfs/dbraw/zinc/42/54/63/711425463.db2.gz ZEFAHIMPQFLIQW-BDAKNGLRSA-N 2 1 237.174 1.851 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000399265438 711425900 /nfs/dbraw/zinc/42/59/00/711425900.db2.gz RHNRSYUGMLUVJM-SFYZADRCSA-N 2 1 225.163 1.849 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399283274 711426383 /nfs/dbraw/zinc/42/63/83/711426383.db2.gz ZEFAHIMPQFLIQW-RKDXNWHRSA-N 2 1 237.174 1.851 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000723117397 710726039 /nfs/dbraw/zinc/72/60/39/710726039.db2.gz IAYCMOYTEVUDIU-FVCCEPFGSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@H](CC(F)(F)F)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383186379 710979082 /nfs/dbraw/zinc/97/90/82/710979082.db2.gz QXQDXKZSXYPSIV-HKOMDBLPSA-N 2 1 248.292 1.913 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000396698884 711367543 /nfs/dbraw/zinc/36/75/43/711367543.db2.gz MRPYEBXFHMTUOQ-QWRGUYRKSA-N 2 1 214.353 1.125 20 0 BDADMP COCCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396640040 711363621 /nfs/dbraw/zinc/36/36/21/711363621.db2.gz MNBJAVMYQDDDNR-NEPJUHHUSA-N 2 1 228.380 1.779 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CCOCC1 ZINC000397852994 711394503 /nfs/dbraw/zinc/39/45/03/711394503.db2.gz SYYGTXQYFFZNLR-ZYHUDNBSSA-N 2 1 210.321 1.063 20 0 BDADMP CO[C@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717957825 711492696 /nfs/dbraw/zinc/49/26/96/711492696.db2.gz TXFRYXNGIIACEP-NDBYEHHHSA-N 2 1 226.364 1.613 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723571973 711518656 /nfs/dbraw/zinc/51/86/56/711518656.db2.gz DLLXNIISXKLGBZ-GXTWGEPZSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723571973 711518657 /nfs/dbraw/zinc/51/86/57/711518657.db2.gz DLLXNIISXKLGBZ-GXTWGEPZSA-N 2 1 238.375 1.365 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000723627740 711527247 /nfs/dbraw/zinc/52/72/47/711527247.db2.gz UASRZZQJTUYGSJ-KWQFWETISA-N 2 1 223.320 1.461 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000723633837 711527698 /nfs/dbraw/zinc/52/76/98/711527698.db2.gz MGRLKPFBLVXKIA-SKDRFNHKSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000723633837 711527702 /nfs/dbraw/zinc/52/77/02/711527702.db2.gz MGRLKPFBLVXKIA-SKDRFNHKSA-N 2 1 237.347 1.708 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000723642512 711529284 /nfs/dbraw/zinc/52/92/84/711529284.db2.gz XDBDWIBDSCLPEH-JSGCOSHPSA-N 2 1 249.358 1.852 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723670496 711533359 /nfs/dbraw/zinc/53/33/59/711533359.db2.gz SZTGZICRLJBKRY-LLVKDONJSA-N 2 1 235.331 1.266 20 0 BDADMP CC(C)n1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000723668806 711533456 /nfs/dbraw/zinc/53/34/56/711533456.db2.gz DGCQKUUPLDSYRZ-GFCCVEGCSA-N 2 1 236.363 1.635 20 0 BDADMP CCc1cnc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000723678552 711533902 /nfs/dbraw/zinc/53/39/02/711533902.db2.gz VPUJURYFRIUZTK-SNVBAGLBSA-N 2 1 239.388 1.876 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713678 711535588 /nfs/dbraw/zinc/53/55/88/711535588.db2.gz XITKVNZDOJCZLD-GHMZBOCLSA-N 2 1 220.320 1.208 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723708793 711535688 /nfs/dbraw/zinc/53/56/88/711535688.db2.gz INROJQYPYPSHIG-JTQLQIEISA-N 2 1 209.293 1.154 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713220 711535819 /nfs/dbraw/zinc/53/58/19/711535819.db2.gz UYJIFKQLNFJNCL-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000723712205 711535943 /nfs/dbraw/zinc/53/59/43/711535943.db2.gz OASZNFGKRUCLLH-JTQLQIEISA-N 2 1 239.750 1.906 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)nc1 ZINC000723713109 711535984 /nfs/dbraw/zinc/53/59/84/711535984.db2.gz SLLCVJHPLVRCGN-LBPRGKRZSA-N 2 1 219.332 1.561 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1CC[NH3+] ZINC000723895372 711544243 /nfs/dbraw/zinc/54/42/43/711544243.db2.gz VTTKKBTULCLIKL-UPJWGTAASA-N 2 1 240.391 1.718 20 0 BDADMP Cc1csc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723908329 711544898 /nfs/dbraw/zinc/54/48/98/711544898.db2.gz HMFNQZQJUOFSQW-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP CCc1noc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723910103 711545013 /nfs/dbraw/zinc/54/50/13/711545013.db2.gz WQNYAPUZGMLFGW-NXEZZACHSA-N 2 1 238.335 1.049 20 0 BDADMP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000382658318 711546490 /nfs/dbraw/zinc/54/64/90/711546490.db2.gz QZKNHCUXBJGXED-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000382658318 711546491 /nfs/dbraw/zinc/54/64/91/711546491.db2.gz QZKNHCUXBJGXED-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000382658244 711546968 /nfs/dbraw/zinc/54/69/68/711546968.db2.gz MKGRJSVJBRMZFX-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000382658244 711546972 /nfs/dbraw/zinc/54/69/72/711546972.db2.gz MKGRJSVJBRMZFX-QWHCGFSZSA-N 2 1 240.391 1.564 20 0 BDADMP CCC[N@H+]1CC[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC000891967021 711562807 /nfs/dbraw/zinc/56/28/07/711562807.db2.gz CNQDIYXDBBOIHK-LBPRGKRZSA-N 2 1 249.358 1.140 20 0 BDADMP Cc1nc(C)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)[nH]1 ZINC000724786282 711615059 /nfs/dbraw/zinc/61/50/59/711615059.db2.gz BJEWKPXUVDKUQR-OLZOCXBDSA-N 2 1 248.374 1.410 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]1 ZINC000724786282 711615062 /nfs/dbraw/zinc/61/50/62/711615062.db2.gz BJEWKPXUVDKUQR-OLZOCXBDSA-N 2 1 248.374 1.410 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]1 ZINC000724786282 711615063 /nfs/dbraw/zinc/61/50/63/711615063.db2.gz BJEWKPXUVDKUQR-OLZOCXBDSA-N 2 1 248.374 1.410 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(C)(C)CO ZINC000926573990 711653770 /nfs/dbraw/zinc/65/37/70/711653770.db2.gz RDXIELZMQUBJDN-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248880292 711676375 /nfs/dbraw/zinc/67/63/75/711676375.db2.gz SEKVQVWPQIWMOD-QJPTWQEYSA-N 2 1 241.379 1.055 20 0 BDADMP COC[C@H](C[N@H+]1CC2CC1(C[NH3+])C2)C(C)C ZINC000721709126 711707084 /nfs/dbraw/zinc/70/70/84/711707084.db2.gz UXGUXUUENZEUFY-CPCZMJQVSA-N 2 1 226.364 1.328 20 0 BDADMP C[NH+](C)C1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925711455 711711184 /nfs/dbraw/zinc/71/11/84/711711184.db2.gz ZFUYROWIYSCVSX-BPCQOVAHSA-N 2 1 239.407 1.589 20 0 BDADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCC1 ZINC000335023772 711720250 /nfs/dbraw/zinc/72/02/50/711720250.db2.gz LSZUGAZUZMHOCB-SNVBAGLBSA-N 2 1 220.320 1.258 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CCC(=O)C3CC3)CC[C@H]21 ZINC000879581620 711770716 /nfs/dbraw/zinc/77/07/16/711770716.db2.gz MYWICYRADYTQNW-QWHCGFSZSA-N 2 1 236.359 1.382 20 0 BDADMP CN1CC[C@H]2C[N@H+](CCC(=O)C3CC3)CC[C@H]21 ZINC000879581620 711770718 /nfs/dbraw/zinc/77/07/18/711770718.db2.gz MYWICYRADYTQNW-QWHCGFSZSA-N 2 1 236.359 1.382 20 0 BDADMP CN1CC[C@H]2C[N@@H+](CCC(=O)C3CC3)CC[C@H]21 ZINC000879581620 711770720 /nfs/dbraw/zinc/77/07/20/711770720.db2.gz MYWICYRADYTQNW-QWHCGFSZSA-N 2 1 236.359 1.382 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622187 711771093 /nfs/dbraw/zinc/77/10/93/711771093.db2.gz IVJRZULEFHURKF-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000721928810 711938026 /nfs/dbraw/zinc/93/80/26/711938026.db2.gz VQDLSSMZUJPJGR-NDBYEHHHSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1CSCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000700239929 711988140 /nfs/dbraw/zinc/98/81/40/711988140.db2.gz XRSNJUALIQWMLD-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000700631844 712003765 /nfs/dbraw/zinc/00/37/65/712003765.db2.gz UXNVBYVDCUJYAR-JTQLQIEISA-N 2 1 225.361 1.622 20 0 BDADMP CC1(C)CC([NH2+]Cc2cn[nH]c2)CC(C)(C)[NH2+]1 ZINC000703467190 712076003 /nfs/dbraw/zinc/07/60/03/712076003.db2.gz UXJAOKIZDBWATO-UHFFFAOYSA-N 2 1 236.363 1.809 20 0 BDADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)CO1 ZINC000703816748 712088962 /nfs/dbraw/zinc/08/89/62/712088962.db2.gz NDNJRTUNWIJRLE-DUJLVANISA-N 2 1 238.375 1.626 20 0 BDADMP COc1cncc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000704207341 712101330 /nfs/dbraw/zinc/10/13/30/712101330.db2.gz MJBVIELFZYJIIE-DGCLKSJQSA-N 2 1 249.358 1.663 20 0 BDADMP COc1cncc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000704207341 712101331 /nfs/dbraw/zinc/10/13/31/712101331.db2.gz MJBVIELFZYJIIE-DGCLKSJQSA-N 2 1 249.358 1.663 20 0 BDADMP CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705138795 712123172 /nfs/dbraw/zinc/12/31/72/712123172.db2.gz RQCGTQLMUAVMTH-GHMZBOCLSA-N 2 1 249.349 1.243 20 0 BDADMP CSC1CC([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000706875497 712157873 /nfs/dbraw/zinc/15/78/73/712157873.db2.gz CKHHPLDWTWCFMN-UHFFFAOYSA-N 2 1 226.389 1.732 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@]3(CCOC3)C2)CCC[NH2+]C1 ZINC000707211443 712167210 /nfs/dbraw/zinc/16/72/10/712167210.db2.gz BFNTYUCBULXXIG-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP CCOC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000707513724 712171536 /nfs/dbraw/zinc/17/15/36/712171536.db2.gz QSHZBXYKNKOGAC-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000707513724 712171538 /nfs/dbraw/zinc/17/15/38/712171538.db2.gz QSHZBXYKNKOGAC-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000708679287 712196313 /nfs/dbraw/zinc/19/63/13/712196313.db2.gz DXINWFGVKJIKPY-YFKTTZPYSA-N 2 1 212.337 1.142 20 0 BDADMP CC(C)(C)[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000709018199 712206109 /nfs/dbraw/zinc/20/61/09/712206109.db2.gz HBHNFOLFEHZMNM-TUAOUCFPSA-N 2 1 226.364 1.471 20 0 BDADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681291 712215610 /nfs/dbraw/zinc/21/56/10/712215610.db2.gz BBOUTSAKQSOYBG-VXGBXAGGSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681291 712215611 /nfs/dbraw/zinc/21/56/11/712215611.db2.gz BBOUTSAKQSOYBG-VXGBXAGGSA-N 2 1 240.391 1.874 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711046891 712276804 /nfs/dbraw/zinc/27/68/04/712276804.db2.gz IEDKJVAOWSXHES-XJFOESAGSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711046891 712276806 /nfs/dbraw/zinc/27/68/06/712276806.db2.gz IEDKJVAOWSXHES-XJFOESAGSA-N 2 1 238.375 1.221 20 0 BDADMP FC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000711443298 712300826 /nfs/dbraw/zinc/30/08/26/712300826.db2.gz MHZLWTOKOSMYRS-LBPRGKRZSA-N 2 1 214.328 1.668 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CF)C2)CC[NH2+]1 ZINC000711467061 712302423 /nfs/dbraw/zinc/30/24/23/712302423.db2.gz SIGXCGTWOFYKRH-GRYCIOLGSA-N 2 1 214.328 1.666 20 0 BDADMP FC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000711458900 712304822 /nfs/dbraw/zinc/30/48/22/712304822.db2.gz ZCXNYRURRNJNFQ-LBPRGKRZSA-N 2 1 214.328 1.668 20 0 BDADMP C(C[NH2+]C1CC1)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711550504 712309043 /nfs/dbraw/zinc/30/90/43/712309043.db2.gz FFDVVHDCOZWIET-PHIMTYICSA-N 2 1 226.389 1.423 20 0 BDADMP C[C@@H]1CCC[N@H+](CCOC2CC2)[C@H]1C[NH3+] ZINC000711753047 712325034 /nfs/dbraw/zinc/32/50/34/712325034.db2.gz OQBGRACFDKPRIN-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOC2CC2)[C@H]1C[NH3+] ZINC000711753047 712325036 /nfs/dbraw/zinc/32/50/36/712325036.db2.gz OQBGRACFDKPRIN-PWSUYJOCSA-N 2 1 212.337 1.225 20 0 BDADMP CCC[N@@H+](CCOC1CC1)C1CC[NH2+]CC1 ZINC000711760304 712326395 /nfs/dbraw/zinc/32/63/95/712326395.db2.gz SOELSNOOYXSEBT-UHFFFAOYSA-N 2 1 226.364 1.629 20 0 BDADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)OC1CC1 ZINC000711776123 712327851 /nfs/dbraw/zinc/32/78/51/712327851.db2.gz GKVNPEGDHVLYQL-AAEUAGOBSA-N 2 1 224.348 1.239 20 0 BDADMP CC(F)(F)CCC[N@@H+]1CCC[NH2+]CC1 ZINC000390125949 712372516 /nfs/dbraw/zinc/37/25/16/712372516.db2.gz HWOPJOFDKZEJTR-UHFFFAOYSA-N 2 1 206.280 1.717 20 0 BDADMP CC(F)(F)CCC[N@H+]1CCC[NH2+]CC1 ZINC000390125949 712372519 /nfs/dbraw/zinc/37/25/19/712372519.db2.gz HWOPJOFDKZEJTR-UHFFFAOYSA-N 2 1 206.280 1.717 20 0 BDADMP C[N@H+](C[C@@H]1CCC2(CCC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000712437575 712429701 /nfs/dbraw/zinc/42/97/01/712429701.db2.gz IWODAMVUVGZDCT-STQMWFEESA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](C[C@@H]1CCC2(CCC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000712437575 712429702 /nfs/dbraw/zinc/42/97/02/712429702.db2.gz IWODAMVUVGZDCT-STQMWFEESA-N 2 1 238.375 1.757 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438279 712429813 /nfs/dbraw/zinc/42/98/13/712429813.db2.gz OASJFDLRVUFNBC-RWMBFGLXSA-N 2 1 238.375 1.757 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(CCC2)O1)C1CC[NH2+]CC1 ZINC000712437555 712429964 /nfs/dbraw/zinc/42/99/64/712429964.db2.gz IQYSSIXVFFQBLS-CYBMUJFWSA-N 2 1 238.375 1.772 20 0 BDADMP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712581739 712433316 /nfs/dbraw/zinc/43/33/16/712433316.db2.gz NSJVOPDBIAWRDN-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP CC[N@@H+]1CC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000712581739 712433317 /nfs/dbraw/zinc/43/33/17/712433317.db2.gz NSJVOPDBIAWRDN-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP CC[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712581739 712433321 /nfs/dbraw/zinc/43/33/21/712433321.db2.gz NSJVOPDBIAWRDN-MELADBBJSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCC(C)(C)CO2)CC1 ZINC000713606416 712466789 /nfs/dbraw/zinc/46/67/89/712466789.db2.gz LXLYMNOEEBSRGZ-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP COC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714438396 712487928 /nfs/dbraw/zinc/48/79/28/712487928.db2.gz NCKKXUKDCCZPLL-SNVBAGLBSA-N 2 1 242.363 1.245 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000714844086 712501912 /nfs/dbraw/zinc/50/19/12/712501912.db2.gz ANMVFPKAKWEKMX-OLZOCXBDSA-N 2 1 210.365 1.964 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715434019 712518655 /nfs/dbraw/zinc/51/86/55/712518655.db2.gz FGBUQCDKJKGHSQ-KWCYVHTRSA-N 2 1 238.375 1.615 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715511728 712524377 /nfs/dbraw/zinc/52/43/77/712524377.db2.gz TWYPRSQKBUNVIJ-ZZVYKPCYSA-N 2 1 238.375 1.756 20 0 BDADMP Cc1cc(N[C@@H](C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000716553646 712563535 /nfs/dbraw/zinc/56/35/35/712563535.db2.gz HZBXGODCEDHUEY-JTQLQIEISA-N 2 1 234.347 1.893 20 0 BDADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)C1CC[NH2+]CC1 ZINC000716584371 712564099 /nfs/dbraw/zinc/56/40/99/712564099.db2.gz SSDWRTPAOOGFRW-SECBINFHSA-N 2 1 245.330 1.758 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]1 ZINC000717613125 712662291 /nfs/dbraw/zinc/66/22/91/712662291.db2.gz HSJAMMAGIZQRIF-QJPTWQEYSA-N 2 1 226.364 1.532 20 0 BDADMP CCC[N@@H+](C[C@@H](O)CC)C1CC[NH2+]CC1 ZINC000037689211 712738930 /nfs/dbraw/zinc/73/89/30/712738930.db2.gz RZJUQESPWWKARS-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@H]1[C@@H](Nc2cc[nH+]cc2Cl)CC[N@@H+]1C ZINC000719570485 712811137 /nfs/dbraw/zinc/81/11/37/712811137.db2.gz OMWBHBSCMFWKBX-WPRPVWTQSA-N 2 1 225.723 1.661 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)nn1 ZINC000720583307 712854804 /nfs/dbraw/zinc/85/48/04/712854804.db2.gz PPBIGFFEVKVWGS-QMTHXVAHSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)nn1 ZINC000720583307 712854806 /nfs/dbraw/zinc/85/48/06/712854806.db2.gz PPBIGFFEVKVWGS-QMTHXVAHSA-N 2 1 248.374 1.510 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)nn1 ZINC000720585160 712854870 /nfs/dbraw/zinc/85/48/70/712854870.db2.gz WIZDPRDGLYTAMN-ZYHUDNBSSA-N 2 1 234.347 1.263 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000720829820 712868708 /nfs/dbraw/zinc/86/87/08/712868708.db2.gz FESKHSFPAHOVOT-QKGCVVFFSA-N 2 1 234.387 1.964 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720820801 712868915 /nfs/dbraw/zinc/86/89/15/712868915.db2.gz NJRIGZFFLYHBJZ-ZOBORPQBSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H](C[NH3+])C1CC1 ZINC000720870743 712871876 /nfs/dbraw/zinc/87/18/76/712871876.db2.gz LGZXCYJQUPOEPW-XDQVBPFNSA-N 2 1 238.375 1.613 20 0 BDADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H](C[NH3+])C1CC1 ZINC000720870743 712871877 /nfs/dbraw/zinc/87/18/77/712871877.db2.gz LGZXCYJQUPOEPW-XDQVBPFNSA-N 2 1 238.375 1.613 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720870098 712872178 /nfs/dbraw/zinc/87/21/78/712872178.db2.gz KSIDIFVOUSNYPN-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720870098 712872179 /nfs/dbraw/zinc/87/21/79/712872179.db2.gz KSIDIFVOUSNYPN-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720874202 712873119 /nfs/dbraw/zinc/87/31/19/712873119.db2.gz WSGJTCHDZYFEGV-DTWKUNHWSA-N 2 1 224.270 1.711 20 0 BDADMP CCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720873973 712873401 /nfs/dbraw/zinc/87/34/01/712873401.db2.gz YZYCHPCUVOFZLZ-JGVFFNPUSA-N 2 1 210.243 1.465 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000720886674 712874163 /nfs/dbraw/zinc/87/41/63/712874163.db2.gz CNBMIMCWXWIJTN-ZIAGYGMSSA-N 2 1 237.391 1.155 20 0 BDADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000720890503 712875120 /nfs/dbraw/zinc/87/51/20/712875120.db2.gz MBRLOUQWEOILJQ-MGPQQGTHSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@](C)(O)C2)C1 ZINC001208606008 957094953 /nfs/dbraw/zinc/09/49/53/957094953.db2.gz DBPBNBUIAOEGTK-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@](C)(O)C2)C1 ZINC001208606008 957094965 /nfs/dbraw/zinc/09/49/65/957094965.db2.gz DBPBNBUIAOEGTK-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@](C)(O)C2)C1 ZINC001208606008 957094972 /nfs/dbraw/zinc/09/49/72/957094972.db2.gz DBPBNBUIAOEGTK-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC000705398909 957201827 /nfs/dbraw/zinc/20/18/27/957201827.db2.gz HTDBGYGSGUGOQW-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC000705398909 957201834 /nfs/dbraw/zinc/20/18/34/957201834.db2.gz HTDBGYGSGUGOQW-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC000705398909 957201850 /nfs/dbraw/zinc/20/18/50/957201850.db2.gz HTDBGYGSGUGOQW-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC000705398909 957201854 /nfs/dbraw/zinc/20/18/54/957201854.db2.gz HTDBGYGSGUGOQW-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C[NH2+]1 ZINC000399273900 958595622 /nfs/dbraw/zinc/59/56/22/958595622.db2.gz VACRGMDPPSXIOJ-KXUCPTDWSA-N 2 1 218.291 1.904 20 0 BDADMP CC[C@H]1CO[C@H](C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693581591 958870721 /nfs/dbraw/zinc/87/07/21/958870721.db2.gz XWLHVZNHNXEUIX-WYUUTHIRSA-N 2 1 212.337 1.223 20 0 BDADMP OCCCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385618 960581512 /nfs/dbraw/zinc/58/15/12/960581512.db2.gz RRIOHMOCQQUHIW-AWEZNQCLSA-N 2 1 240.391 1.757 20 0 BDADMP OCCCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385618 960581533 /nfs/dbraw/zinc/58/15/33/960581533.db2.gz RRIOHMOCQQUHIW-AWEZNQCLSA-N 2 1 240.391 1.757 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925725661 960820995 /nfs/dbraw/zinc/82/09/95/960820995.db2.gz MIAWHRAPTPDJAD-ZDEQEGDKSA-N 3 1 225.380 1.234 20 0 BDADMP CC[C@H](C)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152427231 962428137 /nfs/dbraw/zinc/42/81/37/962428137.db2.gz USVKXLRHUSAREV-LBPRGKRZSA-N 2 1 243.395 1.079 20 0 BDADMP CSCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396545388 963557536 /nfs/dbraw/zinc/55/75/36/963557536.db2.gz DPPICZYYTSIWLM-VHSXEESVSA-N 2 1 202.367 1.470 20 0 BDADMP C[N@@H+](CCNC1=[NH+]CCCCN1)C1CCCC1 ZINC000697668795 964491740 /nfs/dbraw/zinc/49/17/40/964491740.db2.gz CHJOHJXAIWFSFH-UHFFFAOYSA-N 2 1 238.379 1.190 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000699491953 965915263 /nfs/dbraw/zinc/91/52/63/965915263.db2.gz HNRLJIILCPVVKQ-SMDDNHRTSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1c2cccn2CC[N@@H+]1CCCC[NH3+] ZINC001235962663 966185965 /nfs/dbraw/zinc/18/59/65/966185965.db2.gz OVXQOPAJQZPWPH-LLVKDONJSA-N 2 1 207.321 1.604 20 0 BDADMP C[C@@H](O)[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000691351644 967260892 /nfs/dbraw/zinc/26/08/92/967260892.db2.gz UFUALMYCABXRBB-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545336 967685746 /nfs/dbraw/zinc/68/57/46/967685746.db2.gz DLGGWZMXDDQCLG-LBPRGKRZSA-N 2 1 240.326 1.371 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545428 967690850 /nfs/dbraw/zinc/69/08/50/967690850.db2.gz GZTTXNSFGDPTKR-LBPRGKRZSA-N 3 1 231.359 1.268 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cocn2)CC[C@@H]1C[NH3+] ZINC001205628499 967732344 /nfs/dbraw/zinc/73/23/44/967732344.db2.gz VRPGIZFBLBBYOY-GHMZBOCLSA-N 2 1 223.320 1.481 20 0 BDADMP [NH3+]C[C@]1(O)CCCC[N@@H+](CC2CCCCC2)C1 ZINC001205662448 967739864 /nfs/dbraw/zinc/73/98/64/967739864.db2.gz AXYUPZVVWMOIDU-CQSZACIVSA-N 2 1 240.391 1.742 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001206037816 968003721 /nfs/dbraw/zinc/00/37/21/968003721.db2.gz XOIPXXFEXDPVQZ-DGCLKSJQSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001206037816 968003734 /nfs/dbraw/zinc/00/37/34/968003734.db2.gz XOIPXXFEXDPVQZ-DGCLKSJQSA-N 2 1 225.380 1.045 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCSCC1 ZINC000699197290 968069949 /nfs/dbraw/zinc/06/99/49/968069949.db2.gz XQNHXUCJVFZKJR-YHWZYXNKSA-N 2 1 240.416 1.956 20 0 BDADMP CCOC(=O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206294039 968200394 /nfs/dbraw/zinc/20/03/94/968200394.db2.gz ITNCWMXZNCFAQE-GFCCVEGCSA-N 2 1 228.336 1.000 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCCO)CC1 ZINC001206296819 968207625 /nfs/dbraw/zinc/20/76/25/968207625.db2.gz VBMMGUNFNGNXMU-GFCCVEGCSA-N 2 1 214.353 1.210 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@H+](CC2CCOCC2)C1 ZINC001206337932 968235777 /nfs/dbraw/zinc/23/57/77/968235777.db2.gz XABCQOMKDAXGJB-ZDUSSCGKSA-N 2 1 244.354 1.566 20 0 BDADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](CC2CCOCC2)C1 ZINC001206337932 968235785 /nfs/dbraw/zinc/23/57/85/968235785.db2.gz XABCQOMKDAXGJB-ZDUSSCGKSA-N 2 1 244.354 1.566 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@H]1O ZINC001207274763 968706834 /nfs/dbraw/zinc/70/68/34/968706834.db2.gz GLKAWVZEUJLKLC-VXGBXAGGSA-N 2 1 228.380 1.277 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@@](C)(O)C1 ZINC001207275408 968714249 /nfs/dbraw/zinc/71/42/49/968714249.db2.gz NDZHDCJRTDEBBE-CQSZACIVSA-N 2 1 242.407 1.811 20 0 BDADMP CN1CC[N@@H+](CC2CC[NH+](C)CC2)CC1(C)C ZINC001207398889 968746584 /nfs/dbraw/zinc/74/65/84/968746584.db2.gz UBFIPPYDWCLPBA-UHFFFAOYSA-N 2 1 239.407 1.354 20 0 BDADMP C[N@H+](C1CC1)C1CC[NH+](CC2(C)COC2)CC1 ZINC001207801087 968889657 /nfs/dbraw/zinc/88/96/57/968889657.db2.gz DNOJJBYVCAMYAM-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+](C1CC1)C1CC[NH+](CC2(C)COC2)CC1 ZINC001207801087 968889660 /nfs/dbraw/zinc/88/96/60/968889660.db2.gz DNOJJBYVCAMYAM-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP CCC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001252783677 968956015 /nfs/dbraw/zinc/95/60/15/968956015.db2.gz IQVQZERLLXFCLC-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001208592224 969145908 /nfs/dbraw/zinc/14/59/08/969145908.db2.gz FFSUEQFGTFSUGV-OLZOCXBDSA-N 2 1 244.354 1.123 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001208592040 969147873 /nfs/dbraw/zinc/14/78/73/969147873.db2.gz BKAFCIMEQNIMRF-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CC[C@]1(C)O ZINC001208606501 969155508 /nfs/dbraw/zinc/15/55/08/969155508.db2.gz HDAPWXVGCMFYGD-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CC[C@]1(C)O ZINC001208606501 969155512 /nfs/dbraw/zinc/15/55/12/969155512.db2.gz HDAPWXVGCMFYGD-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC[C@]1(C)O ZINC001208606501 969155515 /nfs/dbraw/zinc/15/55/15/969155515.db2.gz HDAPWXVGCMFYGD-MCIONIFRSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](F)C2)CC1 ZINC001208593131 969152803 /nfs/dbraw/zinc/15/28/03/969152803.db2.gz OBPIDKWRJHOLJF-GFCCVEGCSA-N 2 1 214.328 1.762 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C[C@@H]1CCC[NH+](C)C1 ZINC001208606735 969164968 /nfs/dbraw/zinc/16/49/68/969164968.db2.gz GTYYZVCLFZZMCL-BFHYXJOUSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC001208606735 969164985 /nfs/dbraw/zinc/16/49/85/969164985.db2.gz GTYYZVCLFZZMCL-BFHYXJOUSA-N 2 1 239.407 1.353 20 0 BDADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208606735 969164993 /nfs/dbraw/zinc/16/49/93/969164993.db2.gz GTYYZVCLFZZMCL-BFHYXJOUSA-N 2 1 239.407 1.353 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001208610141 969168158 /nfs/dbraw/zinc/16/81/58/969168158.db2.gz YVAHYIDHOICZSL-MROQNXINSA-N 2 1 226.339 1.761 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001208610141 969168165 /nfs/dbraw/zinc/16/81/65/969168165.db2.gz YVAHYIDHOICZSL-MROQNXINSA-N 2 1 226.339 1.761 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001208610141 969168169 /nfs/dbraw/zinc/16/81/69/969168169.db2.gz YVAHYIDHOICZSL-MROQNXINSA-N 2 1 226.339 1.761 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001208610141 969168177 /nfs/dbraw/zinc/16/81/77/969168177.db2.gz YVAHYIDHOICZSL-MROQNXINSA-N 2 1 226.339 1.761 20 0 BDADMP COCOCCC[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001209032714 969326635 /nfs/dbraw/zinc/32/66/35/969326635.db2.gz UDVCPPHVHWYSGT-OLZOCXBDSA-N 2 1 242.363 1.023 20 0 BDADMP CCOC(C)(C)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209077102 969348465 /nfs/dbraw/zinc/34/84/65/969348465.db2.gz YGIAVBZUYLYSFW-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP CC[N@H+](C)C1CC[NH+](CCCCOC)CC1 ZINC001209219360 969406038 /nfs/dbraw/zinc/40/60/38/969406038.db2.gz HFPMGNGBCHTZFB-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CCCCOC)CC1 ZINC001209219360 969406042 /nfs/dbraw/zinc/40/60/42/969406042.db2.gz HFPMGNGBCHTZFB-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP CC(C)N(CC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091432 969406165 /nfs/dbraw/zinc/40/61/65/969406165.db2.gz QXTLWJCNHHMLPZ-CLLJXQQHSA-N 2 1 225.380 1.281 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSCC1)C2 ZINC001169129130 969438115 /nfs/dbraw/zinc/43/81/15/969438115.db2.gz GYVFDRNNNNLVKZ-GDNZZTSVSA-N 2 1 226.389 1.660 20 0 BDADMP CC[NH+]1CCC([NH2+]CC2(F)CCOCC2)CC1 ZINC001169224181 969493216 /nfs/dbraw/zinc/49/32/16/969493216.db2.gz BPXHATDACWKSFM-UHFFFAOYSA-N 2 1 244.354 1.579 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001169245227 969530119 /nfs/dbraw/zinc/53/01/19/969530119.db2.gz CEPLNNWPVXKBDY-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001169245227 969530125 /nfs/dbraw/zinc/53/01/25/969530125.db2.gz CEPLNNWPVXKBDY-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC(N(C)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001169258733 969544489 /nfs/dbraw/zinc/54/44/89/969544489.db2.gz PJVJMLGVCRBDKA-CYBMUJFWSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254497271 969656716 /nfs/dbraw/zinc/65/67/16/969656716.db2.gz IZSKQIQCGJEBLF-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@H+]1CCC[C@H](NC(C)(C)C(C)(C)[NH3+])CC1 ZINC001254508127 969683573 /nfs/dbraw/zinc/68/35/73/969683573.db2.gz GXBPZBPAYOJBOF-NSHDSACASA-N 2 1 227.396 1.576 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@](C)(O)C2)CC1 ZINC001254524387 969709280 /nfs/dbraw/zinc/70/92/80/969709280.db2.gz WHTCCIYXRHYILA-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001254524387 969709288 /nfs/dbraw/zinc/70/92/88/969709288.db2.gz WHTCCIYXRHYILA-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001254524387 969709297 /nfs/dbraw/zinc/70/92/97/969709297.db2.gz WHTCCIYXRHYILA-QWHCGFSZSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001254529619 969727792 /nfs/dbraw/zinc/72/77/92/969727792.db2.gz OTSBJTOMEHHNQU-CYDGBPFRSA-N 2 1 226.339 1.903 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001254529619 969727801 /nfs/dbraw/zinc/72/78/01/969727801.db2.gz OTSBJTOMEHHNQU-CYDGBPFRSA-N 2 1 226.339 1.903 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC1 ZINC001254529619 969727809 /nfs/dbraw/zinc/72/78/09/969727809.db2.gz OTSBJTOMEHHNQU-CYDGBPFRSA-N 2 1 226.339 1.903 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCSC1 ZINC001255295184 970058004 /nfs/dbraw/zinc/05/80/04/970058004.db2.gz VQGZAEWFBOTICZ-LLVKDONJSA-N 2 1 216.394 1.766 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)C(C)(C)C1 ZINC001255494016 970248718 /nfs/dbraw/zinc/24/87/18/970248718.db2.gz JEBGKIPAOICABP-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)C(C)(C)C1 ZINC001255494016 970248724 /nfs/dbraw/zinc/24/87/24/970248724.db2.gz JEBGKIPAOICABP-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690417070 970516229 /nfs/dbraw/zinc/51/62/29/970516229.db2.gz VVBGFWPGUSSILF-CHWSQXEVSA-N 2 1 226.364 1.474 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)NC[C@H]1CC[N@@H+](C)C1 ZINC001255944684 970574993 /nfs/dbraw/zinc/57/49/93/970574993.db2.gz XSQKDFYJYBDXBZ-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001255944684 970575007 /nfs/dbraw/zinc/57/50/07/970575007.db2.gz XSQKDFYJYBDXBZ-ZIAGYGMSSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001255944684 970575016 /nfs/dbraw/zinc/57/50/16/970575016.db2.gz XSQKDFYJYBDXBZ-ZIAGYGMSSA-N 3 1 241.423 1.648 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001255949695 970583316 /nfs/dbraw/zinc/58/33/16/970583316.db2.gz ALCZLKYYTFLZCM-IHRRRGAJSA-N 3 1 241.423 1.966 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](OC)C1 ZINC001255957014 970594630 /nfs/dbraw/zinc/59/46/30/970594630.db2.gz OAIDQBJTRNQGQP-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](O)CC1 ZINC001255956030 970596834 /nfs/dbraw/zinc/59/68/34/970596834.db2.gz GBFKHZTWRLHYJE-KBPBESRZSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](OC)C1 ZINC001255957020 970598273 /nfs/dbraw/zinc/59/82/73/970598273.db2.gz OAIDQBJTRNQGQP-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP C[NH+]1CCC([NH2+]CCC2CCC(O)CC2)CC1 ZINC001256200531 970694127 /nfs/dbraw/zinc/69/41/27/970694127.db2.gz VDCZYMACXIUMDM-UHFFFAOYSA-N 2 1 240.391 1.611 20 0 BDADMP CN1CCC([N@H+]2CCCOC(C)(C)C2)CC1 ZINC001256207413 970707949 /nfs/dbraw/zinc/70/79/49/970707949.db2.gz IQELXEOETFNPGB-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC([N@@H+]2CCCOC(C)(C)C2)CC1 ZINC001256207413 970707954 /nfs/dbraw/zinc/70/79/54/970707954.db2.gz IQELXEOETFNPGB-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+]1CCC([N@H+]2CCCOC(C)(C)C2)CC1 ZINC001256207413 970707963 /nfs/dbraw/zinc/70/79/63/970707963.db2.gz IQELXEOETFNPGB-UHFFFAOYSA-N 2 1 226.364 1.582 20 0 BDADMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173042461 975012784 /nfs/dbraw/zinc/01/27/84/975012784.db2.gz SEMMIKUTODBKCH-VXGBXAGGSA-N 2 1 224.348 1.415 20 0 BDADMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CC2)C1(C)C ZINC001335469586 977081672 /nfs/dbraw/zinc/08/16/72/977081672.db2.gz NSQQIWKXBVMAFR-GRYCIOLGSA-N 2 1 226.364 1.076 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001339669933 978891550 /nfs/dbraw/zinc/89/15/50/978891550.db2.gz JASBBNPYKYJREA-RFGFWPKPSA-N 2 1 240.391 1.874 20 0 BDADMP C1=CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235036913 978958755 /nfs/dbraw/zinc/95/87/55/978958755.db2.gz CITILGGTIOMYIS-RWMBFGLXSA-N 2 1 206.333 1.779 20 0 BDADMP C1=CC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235036913 978958760 /nfs/dbraw/zinc/95/87/60/978958760.db2.gz CITILGGTIOMYIS-RWMBFGLXSA-N 2 1 206.333 1.779 20 0 BDADMP C[C@H]1C[C@H](C)C[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235948363 979221934 /nfs/dbraw/zinc/22/19/34/979221934.db2.gz MPVWICKTKNZBGB-SRVKXCTJSA-N 2 1 226.364 1.689 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CCOCC1 ZINC001235980868 979257087 /nfs/dbraw/zinc/25/70/87/979257087.db2.gz RYIFFDCKNHANHJ-WCQYABFASA-N 2 1 224.348 1.226 20 0 BDADMP CC1(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CCOCC1 ZINC001235980865 979255680 /nfs/dbraw/zinc/25/56/80/979255680.db2.gz RYIFFDCKNHANHJ-AAEUAGOBSA-N 2 1 224.348 1.226 20 0 BDADMP CC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001236007349 979299624 /nfs/dbraw/zinc/29/96/24/979299624.db2.gz YJCRJEVGBCRMHV-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCNC1 ZINC001236007349 979299635 /nfs/dbraw/zinc/29/96/35/979299635.db2.gz YJCRJEVGBCRMHV-CQSZACIVSA-N 2 1 239.407 1.450 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CN(CCC2CC[NH2+]CC2)C1 ZINC001236043929 979335669 /nfs/dbraw/zinc/33/56/69/979335669.db2.gz GGUATBGBFSUROS-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP CCN(CC[NH2+]C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236143063 979407810 /nfs/dbraw/zinc/40/78/10/979407810.db2.gz GUJONEAYZOTITN-GHMZBOCLSA-N 2 1 249.349 1.019 20 0 BDADMP NCC[N@H+](CCCC[NH3+])Cc1ccccc1 ZINC001236521304 979615234 /nfs/dbraw/zinc/61/52/34/979615234.db2.gz KFRSOOMCIGOCJC-UHFFFAOYSA-N 2 1 221.348 1.186 20 0 BDADMP NCC[N@@H+](CCCC[NH3+])Cc1ccccc1 ZINC001236521304 979615237 /nfs/dbraw/zinc/61/52/37/979615237.db2.gz KFRSOOMCIGOCJC-UHFFFAOYSA-N 2 1 221.348 1.186 20 0 BDADMP C[N@H+]1CCC[C@@H](CN2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254869 979727275 /nfs/dbraw/zinc/72/72/75/979727275.db2.gz CYEKORMZQNZYEX-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254869 979727285 /nfs/dbraw/zinc/72/72/85/979727285.db2.gz CYEKORMZQNZYEX-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254869 979727293 /nfs/dbraw/zinc/72/72/93/979727293.db2.gz CYEKORMZQNZYEX-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254869 979727301 /nfs/dbraw/zinc/72/73/01/979727301.db2.gz CYEKORMZQNZYEX-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254869 979727309 /nfs/dbraw/zinc/72/73/09/979727309.db2.gz CYEKORMZQNZYEX-ZIAGYGMSSA-N 3 1 239.407 1.532 20 0 BDADMP CN1CCC[C@@H](C[N@@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254869 979727318 /nfs/dbraw/zinc/72/73/18/979727318.db2.gz CYEKORMZQNZYEX-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP CN1CCC[C@@H](C[N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001205254869 979727326 /nfs/dbraw/zinc/72/73/26/979727326.db2.gz CYEKORMZQNZYEX-ZIAGYGMSSA-N 2 1 239.407 1.532 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC001205546011 980946575 /nfs/dbraw/zinc/94/65/75/980946575.db2.gz OQIWTUNJQJHERJ-QWHCGFSZSA-N 2 1 242.338 1.832 20 0 BDADMP c1nc(CC[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cs1 ZINC001580897227 981735408 /nfs/dbraw/zinc/73/54/08/981735408.db2.gz KUIQPOBHMQIQQA-MNOVXSKESA-N 2 1 237.372 1.227 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001199842933 983024915 /nfs/dbraw/zinc/02/49/15/983024915.db2.gz JNRWPRJZKMAPQZ-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1CCCCCC[NH3+] ZINC001205902550 983113966 /nfs/dbraw/zinc/11/39/66/983113966.db2.gz KGVUQDOJUFESRE-OLZOCXBDSA-N 3 1 227.396 1.565 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001172419175 974691043 /nfs/dbraw/zinc/69/10/43/974691043.db2.gz IXLXIPKRYOAKRL-FQUUOJAGSA-N 2 1 240.391 1.874 20 0 BDADMP CCOCC[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172430930 974713750 /nfs/dbraw/zinc/71/37/50/974713750.db2.gz KGFSFYGRCDKIKC-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CSCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246587543 972989664 /nfs/dbraw/zinc/98/96/64/972989664.db2.gz OSSYFWLFMXIZNA-HBNTYKKESA-N 2 1 234.384 1.889 20 0 BDADMP CSCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246587543 972989676 /nfs/dbraw/zinc/98/96/76/972989676.db2.gz OSSYFWLFMXIZNA-HBNTYKKESA-N 2 1 234.384 1.889 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)C[C@H]1[NH3+] ZINC001206053420 970820813 /nfs/dbraw/zinc/82/08/13/970820813.db2.gz WJSJOTVVKKQTBA-ZWNOBZJWSA-N 2 1 229.327 1.947 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)C[C@H]1[NH3+] ZINC001206053420 970820819 /nfs/dbraw/zinc/82/08/19/970820819.db2.gz WJSJOTVVKKQTBA-ZWNOBZJWSA-N 2 1 229.327 1.947 20 0 BDADMP C[C@H](Cc1ccccn1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001256420152 970826177 /nfs/dbraw/zinc/82/61/77/970826177.db2.gz BFZRQBDBXXFPAK-MCIONIFRSA-N 2 1 245.370 1.506 20 0 BDADMP C[C@H](Cc1ccccn1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001256420152 970826183 /nfs/dbraw/zinc/82/61/83/970826183.db2.gz BFZRQBDBXXFPAK-MCIONIFRSA-N 2 1 245.370 1.506 20 0 BDADMP C[C@H](Cc1ccccn1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001256420152 970826187 /nfs/dbraw/zinc/82/61/87/970826187.db2.gz BFZRQBDBXXFPAK-MCIONIFRSA-N 2 1 245.370 1.506 20 0 BDADMP CC(=O)CC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256616285 970882554 /nfs/dbraw/zinc/88/25/54/970882554.db2.gz NVIRNDQFIWXJMK-YHWZYXNKSA-N 2 1 238.375 1.959 20 0 BDADMP CC(=O)CC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256616285 970882563 /nfs/dbraw/zinc/88/25/63/970882563.db2.gz NVIRNDQFIWXJMK-YHWZYXNKSA-N 2 1 238.375 1.959 20 0 BDADMP CN1CC2(C1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256629345 970893304 /nfs/dbraw/zinc/89/33/04/970893304.db2.gz AWSRTPFYVUGKQH-PBWFPOADSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256629345 970893310 /nfs/dbraw/zinc/89/33/10/970893310.db2.gz AWSRTPFYVUGKQH-PBWFPOADSA-N 2 1 249.402 1.249 20 0 BDADMP CN1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256629345 970893315 /nfs/dbraw/zinc/89/33/15/970893315.db2.gz AWSRTPFYVUGKQH-PBWFPOADSA-N 2 1 249.402 1.249 20 0 BDADMP CC[N@@H+](CC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628992 970895253 /nfs/dbraw/zinc/89/52/53/970895253.db2.gz UGGAVJMQVQOCBG-FUNVUKJBSA-N 2 1 240.391 1.704 20 0 BDADMP CC[NH+](CC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628992 970895262 /nfs/dbraw/zinc/89/52/62/970895262.db2.gz UGGAVJMQVQOCBG-FUNVUKJBSA-N 2 1 240.391 1.704 20 0 BDADMP CC[NH+](CC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628992 970895264 /nfs/dbraw/zinc/89/52/64/970895264.db2.gz UGGAVJMQVQOCBG-FUNVUKJBSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001256722828 970946072 /nfs/dbraw/zinc/94/60/72/970946072.db2.gz LQFOOIRKJMGRQL-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001256722828 970946079 /nfs/dbraw/zinc/94/60/79/970946079.db2.gz LQFOOIRKJMGRQL-AAEUAGOBSA-N 2 1 219.332 1.436 20 0 BDADMP [NH3+]CCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900294 971013872 /nfs/dbraw/zinc/01/38/72/971013872.db2.gz LNUHDODGOMCMOS-ZDUSSCGKSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]CCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900294 971013878 /nfs/dbraw/zinc/01/38/78/971013878.db2.gz LNUHDODGOMCMOS-ZDUSSCGKSA-N 3 1 239.407 1.722 20 0 BDADMP [NH3+]C1CN([C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256898597 971016159 /nfs/dbraw/zinc/01/61/59/971016159.db2.gz NNRTXQLRKAAVKH-CYBMUJFWSA-N 2 1 223.364 1.036 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257073471 971087669 /nfs/dbraw/zinc/08/76/69/971087669.db2.gz OEJKRXPUJWGEHQ-ZSBIGDGJSA-N 2 1 237.347 1.821 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCc3[nH+]ccn3CC2)C[C@H](C)O1 ZINC001257098831 971111156 /nfs/dbraw/zinc/11/11/56/971111156.db2.gz IDEUDYFOVHELLR-CLLJXQQHSA-N 2 1 249.358 1.697 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3[nH+]ccn3CC2)C[C@H](C)O1 ZINC001257098831 971111158 /nfs/dbraw/zinc/11/11/58/971111158.db2.gz IDEUDYFOVHELLR-CLLJXQQHSA-N 2 1 249.358 1.697 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001257214299 971125968 /nfs/dbraw/zinc/12/59/68/971125968.db2.gz AAWHBXWWVKZINM-CQSZACIVSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)N1CCC([N@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001257215819 971133674 /nfs/dbraw/zinc/13/36/74/971133674.db2.gz ZMSIQQSZTMFRKX-JSGCOSHPSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001257215819 971133684 /nfs/dbraw/zinc/13/36/84/971133684.db2.gz ZMSIQQSZTMFRKX-JSGCOSHPSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001257215819 971133688 /nfs/dbraw/zinc/13/36/88/971133688.db2.gz ZMSIQQSZTMFRKX-JSGCOSHPSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)CC[N@H+]1C ZINC000405200769 971210113 /nfs/dbraw/zinc/21/01/13/971210113.db2.gz CPXSMZQDIUPCQD-NDBYEHHHSA-N 2 1 237.391 1.329 20 0 BDADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C12CCC2 ZINC000405222616 971212244 /nfs/dbraw/zinc/21/22/44/971212244.db2.gz NFOLSOXBKAOUMV-FQUUOJAGSA-N 2 1 249.402 1.473 20 0 BDADMP C[C@@H]1OC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1C ZINC000405552755 971271318 /nfs/dbraw/zinc/27/13/18/971271318.db2.gz SYGCVHCOZINJBO-JFGNBEQYSA-N 2 1 212.337 1.094 20 0 BDADMP CCCCCC[C@H](C)[N@H+](CC[NH3+])CCO ZINC001257360200 971273905 /nfs/dbraw/zinc/27/39/05/971273905.db2.gz LTVIGQATIVVLMW-LBPRGKRZSA-N 2 1 216.369 1.598 20 0 BDADMP CCCCCC[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001257360200 971273914 /nfs/dbraw/zinc/27/39/14/971273914.db2.gz LTVIGQATIVVLMW-LBPRGKRZSA-N 2 1 216.369 1.598 20 0 BDADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO[C@H]1C ZINC000405594835 971279877 /nfs/dbraw/zinc/27/98/77/971279877.db2.gz CCTZAGKAWUBIQK-BHKIZMMLSA-N 2 1 238.375 1.625 20 0 BDADMP COC(C)(C)CC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405870980 971316483 /nfs/dbraw/zinc/31/64/83/971316483.db2.gz HVLIWFGCQSKVLA-LLVKDONJSA-N 2 1 200.326 1.225 20 0 BDADMP CCc1nnc([C@H]([NH3+])CC2CC[NH2+]CC2)o1 ZINC001217725458 971366408 /nfs/dbraw/zinc/36/64/08/971366408.db2.gz RABPAIXZLTTYMS-SECBINFHSA-N 2 1 224.308 1.022 20 0 BDADMP CCCNc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001170620594 971370249 /nfs/dbraw/zinc/37/02/49/971370249.db2.gz UNJKDLDNTFZLQN-WDEREUQCSA-N 2 1 249.362 1.980 20 0 BDADMP [NH3+][C@H]1CC[C@H](CO[C@@H]2C[NH2+]CC2(F)F)CC1 ZINC001217844945 971443168 /nfs/dbraw/zinc/44/31/68/971443168.db2.gz RVHDSZWGFVPLFT-OPRDCNLKSA-N 2 1 234.290 1.128 20 0 BDADMP COC(=O)C1CCC([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001257854667 971504476 /nfs/dbraw/zinc/50/44/76/971504476.db2.gz GPOQIXALODRGDR-MOENNCHZSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)C1CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001257854667 971504484 /nfs/dbraw/zinc/50/44/84/971504484.db2.gz GPOQIXALODRGDR-MOENNCHZSA-N 2 1 240.347 1.141 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1F ZINC001206153249 974254947 /nfs/dbraw/zinc/25/49/47/974254947.db2.gz CJMQIIZDJKJLEQ-RWMBFGLXSA-N 3 1 243.370 1.137 20 0 BDADMP C[C@@H]([NH3+])c1ccc(O[C@H]2C[NH2+]CC2(F)F)cc1 ZINC001218237322 971648529 /nfs/dbraw/zinc/64/85/29/971648529.db2.gz NSXXBLQXQUUZHM-KCJUWKMLSA-N 2 1 242.269 1.692 20 0 BDADMP N[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1F ZINC001206156939 974332056 /nfs/dbraw/zinc/33/20/56/974332056.db2.gz UOEICFQMQFIJQR-QJPTWQEYSA-N 2 1 230.327 1.317 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1F ZINC001206156939 974332073 /nfs/dbraw/zinc/33/20/73/974332073.db2.gz UOEICFQMQFIJQR-QJPTWQEYSA-N 2 1 230.327 1.317 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCOCC3)C2)C1 ZINC001170831588 971949064 /nfs/dbraw/zinc/94/90/64/971949064.db2.gz QLFMUMHWUTXLKM-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCOCC3)C2)C1 ZINC001170831588 971949071 /nfs/dbraw/zinc/94/90/71/971949071.db2.gz QLFMUMHWUTXLKM-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCCOCC1 ZINC001170833657 971950248 /nfs/dbraw/zinc/95/02/48/971950248.db2.gz JVGJXUZFTHNWPB-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[C@@]([NH3+])(CO)Nc1cccc(C2=[NH+]CCC2)c1 ZINC001170865445 971999973 /nfs/dbraw/zinc/99/99/73/971999973.db2.gz DXSNXIGNALMEMH-AWEZNQCLSA-N 2 1 247.342 1.739 20 0 BDADMP CC(C)([NH3+])c1ccccc1N[C@H](N)CCC[NH3+] ZINC001170902901 972071813 /nfs/dbraw/zinc/07/18/13/972071813.db2.gz HEDQCOWDFTWSQI-LBPRGKRZSA-N 2 1 236.363 1.316 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246019134 972119928 /nfs/dbraw/zinc/11/99/28/972119928.db2.gz CTUUMVTZRJTPFJ-TZMCWYRMSA-N 2 1 242.407 1.844 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246074403 972128975 /nfs/dbraw/zinc/12/89/75/972128975.db2.gz PFBCWMBQZXFKRQ-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccco2)CC[NH2+]1 ZINC001246080856 972137032 /nfs/dbraw/zinc/13/70/32/972137032.db2.gz KRZPIPJLKWKJAH-VWYCJHECSA-N 2 1 224.304 1.043 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246099899 972157021 /nfs/dbraw/zinc/15/70/21/972157021.db2.gz AMGCHXAMUKPTEF-DGCLKSJQSA-N 3 1 237.391 1.106 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC001246100985 972159494 /nfs/dbraw/zinc/15/94/94/972159494.db2.gz IIRNMYWAURMSNZ-WISYIIOYSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246108914 972171610 /nfs/dbraw/zinc/17/16/10/972171610.db2.gz IWWDLYCBEYDVQU-FRRDWIJNSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+](C)C2CCC([NH3+])CC2)CN1 ZINC001246231821 972238260 /nfs/dbraw/zinc/23/82/60/972238260.db2.gz HJZCSSDMJKUFFH-XVSSEFHLSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CN1 ZINC001246231821 972238265 /nfs/dbraw/zinc/23/82/65/972238265.db2.gz HJZCSSDMJKUFFH-XVSSEFHLSA-N 2 1 225.380 1.329 20 0 BDADMP CCCO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208606174 957090315 /nfs/dbraw/zinc/09/03/15/957090315.db2.gz DHWJTZYDZJJNHZ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCCO[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208606174 957090322 /nfs/dbraw/zinc/09/03/22/957090322.db2.gz DHWJTZYDZJJNHZ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCCO[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208606174 957090328 /nfs/dbraw/zinc/09/03/28/957090328.db2.gz DHWJTZYDZJJNHZ-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cncnc1 ZINC001246234713 972241211 /nfs/dbraw/zinc/24/12/11/972241211.db2.gz WMBXZBXUMVEKNS-KYTZWMPUSA-N 2 1 232.331 1.410 20 0 BDADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC001208614981 957108658 /nfs/dbraw/zinc/10/86/58/957108658.db2.gz GJMSPUQLBIYRGY-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC[C@H](CN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001208614981 957108671 /nfs/dbraw/zinc/10/86/71/957108671.db2.gz GJMSPUQLBIYRGY-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP C[NH+]1CCC[C@H](CN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001208614981 957108681 /nfs/dbraw/zinc/10/86/81/957108681.db2.gz GJMSPUQLBIYRGY-ZDUSSCGKSA-N 2 1 239.407 1.354 20 0 BDADMP c1cc2c(c(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c1)OCC2 ZINC000693110062 957677499 /nfs/dbraw/zinc/67/74/99/957677499.db2.gz ASUFTRPGQNMGEL-KBPBESRZSA-N 2 1 244.338 1.273 20 0 BDADMP Cc1ccccc1C(C)(C)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001221170662 972298403 /nfs/dbraw/zinc/29/84/03/972298403.db2.gz PIFJSHXWQYJBIJ-LBPRGKRZSA-N 2 1 249.358 1.022 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)CC(C)(C)CC[NH3+] ZINC001246339198 972298801 /nfs/dbraw/zinc/29/88/01/972298801.db2.gz OWIYIPMNNSUCGQ-QWHCGFSZSA-N 3 1 241.423 1.729 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246332160 972295884 /nfs/dbraw/zinc/29/58/84/972295884.db2.gz DZRVUPKGFJMNHB-GFJIZPEISA-N 3 1 239.407 1.624 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)C[NH2+]1 ZINC001246461470 972338137 /nfs/dbraw/zinc/33/81/37/972338137.db2.gz JMBXTSXPNYXUMW-IGQOVBAYSA-N 3 1 239.407 1.589 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000399005461 958486832 /nfs/dbraw/zinc/48/68/32/958486832.db2.gz XMDMTBXMPKCQHN-TZMCWYRMSA-N 3 1 239.407 1.448 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000399037716 958492032 /nfs/dbraw/zinc/49/20/32/958492032.db2.gz OXZCZHLZYHMZTH-UPJWGTAASA-N 2 1 225.380 1.199 20 0 BDADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486091 972353579 /nfs/dbraw/zinc/35/35/79/972353579.db2.gz CSNOMQURKIPJLE-BFHYXJOUSA-N 2 1 241.423 1.598 20 0 BDADMP CCC1(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)COC1 ZINC000399131920 958535168 /nfs/dbraw/zinc/53/51/68/958535168.db2.gz YANQMBUIKPRJAT-QWRGUYRKSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)(C)CC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222080013 972363209 /nfs/dbraw/zinc/36/32/09/972363209.db2.gz IHQBLCQRQGAACP-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+]1CCC[NH2+]CC1)C2 ZINC001246521840 972377952 /nfs/dbraw/zinc/37/79/52/972377952.db2.gz ASFZXZAFVVAHHM-CQSZACIVSA-N 2 1 246.354 1.458 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCC[NH2+]CC1)C2 ZINC001246521840 972377962 /nfs/dbraw/zinc/37/79/62/972377962.db2.gz ASFZXZAFVVAHHM-CQSZACIVSA-N 2 1 246.354 1.458 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000693586061 958889899 /nfs/dbraw/zinc/88/98/99/958889899.db2.gz QMALMIVMBUVJEX-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccc3c[nH]nc32)CCCC1 ZINC001327074570 972391376 /nfs/dbraw/zinc/39/13/76/972391376.db2.gz PLOYKUNKHONQNT-UHFFFAOYSA-N 2 1 244.342 1.924 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000693617859 959009990 /nfs/dbraw/zinc/00/99/90/959009990.db2.gz UMSPVSTWVOZOLF-NNYUYHANSA-N 2 1 212.337 1.223 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405211204 959418283 /nfs/dbraw/zinc/41/82/83/959418283.db2.gz IDSMPQDMWRXEOQ-FRRDWIJNSA-N 2 1 237.391 1.330 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265312 972431446 /nfs/dbraw/zinc/43/14/46/972431446.db2.gz RAZJWCALNOALGM-CYBMUJFWSA-N 3 1 225.380 1.191 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H]1C ZINC000405693563 959485961 /nfs/dbraw/zinc/48/59/61/959485961.db2.gz WZSOTOSJLIHNBO-XHJNMGKDSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H]1C ZINC000405693563 959485978 /nfs/dbraw/zinc/48/59/78/959485978.db2.gz WZSOTOSJLIHNBO-XHJNMGKDSA-N 2 1 238.375 1.626 20 0 BDADMP Cc1[nH+]ccn1CCNc1cc[nH+]cc1 ZINC000308800520 959511663 /nfs/dbraw/zinc/51/16/63/959511663.db2.gz KSTCXDYJKBSGJP-UHFFFAOYSA-N 2 1 202.261 1.699 20 0 BDADMP CCSC[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246530879 972437216 /nfs/dbraw/zinc/43/72/16/972437216.db2.gz OOWWVOZOEHXRQF-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP CCSC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246530879 972437220 /nfs/dbraw/zinc/43/72/20/972437220.db2.gz OOWWVOZOEHXRQF-ZJUUUORDSA-N 2 1 202.367 1.551 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309176 972437994 /nfs/dbraw/zinc/43/79/94/972437994.db2.gz MSWJNEPKUMLLJV-QWHCGFSZSA-N 3 1 225.380 1.332 20 0 BDADMP CC[C@H]([NH3+])C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309176 972437995 /nfs/dbraw/zinc/43/79/95/972437995.db2.gz MSWJNEPKUMLLJV-QWHCGFSZSA-N 3 1 225.380 1.332 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CC[C@](C)([NH3+])C2)C1 ZINC001246532214 972450338 /nfs/dbraw/zinc/45/03/38/972450338.db2.gz WBFJKTQZNZWWEO-WZRBSPASSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@](C)([NH3+])C2)C1 ZINC001246532214 972450341 /nfs/dbraw/zinc/45/03/41/972450341.db2.gz WBFJKTQZNZWWEO-WZRBSPASSA-N 2 1 240.347 1.141 20 0 BDADMP OCCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222384863 972451589 /nfs/dbraw/zinc/45/15/89/972451589.db2.gz AUPDSIGNTHQASJ-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP OCCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222384863 972451593 /nfs/dbraw/zinc/45/15/93/972451593.db2.gz AUPDSIGNTHQASJ-ZDUSSCGKSA-N 2 1 226.364 1.367 20 0 BDADMP COC1(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CCCC1 ZINC000692478731 959749227 /nfs/dbraw/zinc/74/92/27/959749227.db2.gz LLIBOXXPLVYVFP-STQMWFEESA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1C[NH3+] ZINC000708827448 959856800 /nfs/dbraw/zinc/85/68/00/959856800.db2.gz WSUXJBTURAZISO-JGVFFNPUSA-N 2 1 210.243 1.465 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nc1 ZINC000692495223 960030655 /nfs/dbraw/zinc/03/06/55/960030655.db2.gz WWDYLDBNQOCSHZ-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001207436828 960089558 /nfs/dbraw/zinc/08/95/58/960089558.db2.gz RRJMSXAQPGNZFT-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP OC[C@@]1(F)CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001207436824 960091492 /nfs/dbraw/zinc/09/14/92/960091492.db2.gz RGAPVPFXUBXIGA-CYBMUJFWSA-N 2 1 244.354 1.173 20 0 BDADMP c1cc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)ccn1 ZINC001207437694 960092437 /nfs/dbraw/zinc/09/24/37/960092437.db2.gz OWULKUBEORTWAO-OAHLLOKOSA-N 2 1 245.370 1.871 20 0 BDADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925549984 960326027 /nfs/dbraw/zinc/32/60/27/960326027.db2.gz JYNBHWZWBURKAV-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237993 960498148 /nfs/dbraw/zinc/49/81/48/960498148.db2.gz XZYZCDOVRRVCBZ-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCCN1CCC[C@]12CCC[NH2+]C2 ZINC001222237993 960498154 /nfs/dbraw/zinc/49/81/54/960498154.db2.gz XZYZCDOVRRVCBZ-AWEZNQCLSA-N 2 1 239.407 1.724 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccn1 ZINC000692743424 960561296 /nfs/dbraw/zinc/56/12/96/960561296.db2.gz BDGDSKAIYCQTMX-DYEKYZERSA-N 2 1 233.359 1.915 20 0 BDADMP Cc1ccnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709427198 960608368 /nfs/dbraw/zinc/60/83/68/960608368.db2.gz SQIDBBNKTXIHFW-FUNVUKJBSA-N 2 1 231.343 1.763 20 0 BDADMP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000709443250 960613847 /nfs/dbraw/zinc/61/38/47/960613847.db2.gz FPPMMAXYKUNMCW-ONXXMXGDSA-N 2 1 231.343 1.763 20 0 BDADMP C[C@@]1(O)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709473741 960620549 /nfs/dbraw/zinc/62/05/49/960620549.db2.gz GCPIQJQQTLAZIQ-QNMSZWNNSA-N 2 1 238.375 1.506 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000692776942 960650170 /nfs/dbraw/zinc/65/01/70/960650170.db2.gz GSTVASMEFKKAQG-PWSUYJOCSA-N 2 1 208.305 1.552 20 0 BDADMP CC[N@H+]1CC[C@@H](OC2CC[NH+](C)CC2)C1 ZINC001222504347 972529215 /nfs/dbraw/zinc/52/92/15/972529215.db2.gz RIFOEHWBQGPHKH-GFCCVEGCSA-N 2 1 212.337 1.191 20 0 BDADMP Cc1[nH]c2ncccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC001204660678 961025022 /nfs/dbraw/zinc/02/50/22/961025022.db2.gz HLXUJJROXNNGOE-UHFFFAOYSA-N 2 1 244.342 1.667 20 0 BDADMP Cc1[nH]c2ncccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC001204660678 961025051 /nfs/dbraw/zinc/02/50/51/961025051.db2.gz HLXUJJROXNNGOE-UHFFFAOYSA-N 2 1 244.342 1.667 20 0 BDADMP COc1ccc(NC(=[NH2+])SCC[NH3+])c(C)n1 ZINC001167914062 961095248 /nfs/dbraw/zinc/09/52/48/961095248.db2.gz HMNLMSTXISHMID-UHFFFAOYSA-N 2 1 240.332 1.437 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2SCCS2)CC[N@H+]1C ZINC000692903991 961210768 /nfs/dbraw/zinc/21/07/68/961210768.db2.gz HKTWVIVLDSJLIG-VHSXEESVSA-N 2 1 246.445 1.865 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@H]2C[C@H]21 ZINC001167842004 961236846 /nfs/dbraw/zinc/23/68/46/961236846.db2.gz VOZAQIDBUKJKCB-MJBXVCDLSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC000725661331 961385234 /nfs/dbraw/zinc/38/52/34/961385234.db2.gz MJYXLKQMIYFGTB-MNOVXSKESA-N 2 1 214.378 1.695 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167893191 961506749 /nfs/dbraw/zinc/50/67/49/961506749.db2.gz FNKPQERPTHTIBF-JGPRNRPPSA-N 2 1 205.305 1.664 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167902136 961650009 /nfs/dbraw/zinc/65/00/09/961650009.db2.gz JSCPAQWJGPECLU-QCNOEVLYSA-N 2 1 240.347 1.045 20 0 BDADMP CC[C@@]1(O)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893719222 961726133 /nfs/dbraw/zinc/72/61/33/961726133.db2.gz JQTGVOSLFYXLAD-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CN1CCC([N@@H+](C)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167923741 961990641 /nfs/dbraw/zinc/99/06/41/961990641.db2.gz IOGAZRZTUHSMFX-PTEHBNRSSA-N 2 1 208.349 1.811 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)ccn2)C1 ZINC001206632663 962141910 /nfs/dbraw/zinc/14/19/10/962141910.db2.gz NHJUFMHEQDWBTI-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)ccn2)C1 ZINC001206632663 962141928 /nfs/dbraw/zinc/14/19/28/962141928.db2.gz NHJUFMHEQDWBTI-NSHDSACASA-N 2 1 237.322 1.782 20 0 BDADMP Nc1ncccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632907 962149594 /nfs/dbraw/zinc/14/95/94/962149594.db2.gz QQWLENKAAFLSKR-NSHDSACASA-N 2 1 234.347 1.225 20 0 BDADMP C[C@@H]1C[C@H](NCC[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000710408531 962382692 /nfs/dbraw/zinc/38/26/92/962382692.db2.gz FEKHPZJSEBVIAY-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNc2cc(N)ncn2)C1 ZINC000132274588 962398019 /nfs/dbraw/zinc/39/80/19/962398019.db2.gz QDCYATLUZJYPPC-JTQLQIEISA-N 2 1 235.335 1.201 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N)[nH+]cn2)C1 ZINC000132274588 962398039 /nfs/dbraw/zinc/39/80/39/962398039.db2.gz QDCYATLUZJYPPC-JTQLQIEISA-N 2 1 235.335 1.201 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNc2cc(N)[nH+]cn2)C1 ZINC000132274588 962398059 /nfs/dbraw/zinc/39/80/59/962398059.db2.gz QDCYATLUZJYPPC-JTQLQIEISA-N 2 1 235.335 1.201 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000710782050 962474476 /nfs/dbraw/zinc/47/44/76/962474476.db2.gz ROKNLVKMWXICKC-UHFFFAOYSA-N 2 1 238.379 1.977 20 0 BDADMP C[N@H+](Cc1ccc(O)cn1)CC1CC[NH+](C)CC1 ZINC000134001036 962715749 /nfs/dbraw/zinc/71/57/49/962715749.db2.gz MRFDVNRZKJSGHV-UHFFFAOYSA-N 2 1 249.358 1.561 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958066 962823948 /nfs/dbraw/zinc/82/39/48/962823948.db2.gz YBGMZLTWVMRVRJ-XJFOESAGSA-N 2 1 220.360 1.813 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958066 962823951 /nfs/dbraw/zinc/82/39/51/962823951.db2.gz YBGMZLTWVMRVRJ-XJFOESAGSA-N 2 1 220.360 1.813 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958066 962823959 /nfs/dbraw/zinc/82/39/59/962823959.db2.gz YBGMZLTWVMRVRJ-XJFOESAGSA-N 2 1 220.360 1.813 20 0 BDADMP COCC[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688048908 962842379 /nfs/dbraw/zinc/84/23/79/962842379.db2.gz NMTBLCIVVGMYGP-UHFFFAOYSA-N 2 1 240.372 1.472 20 0 BDADMP [NH3+]C1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC000712363056 962872588 /nfs/dbraw/zinc/87/25/88/962872588.db2.gz HIBWIDAADDQYJH-UHFFFAOYSA-N 2 1 231.343 1.888 20 0 BDADMP [NH3+]Cc1cn(-c2cc3[nH]ccc3c[nH+]2)cn1 ZINC001154905476 962890677 /nfs/dbraw/zinc/89/06/77/962890677.db2.gz IZVDEXWGNOZHON-UHFFFAOYSA-N 2 1 213.244 1.207 20 0 BDADMP Nc1ccc[nH+]c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155114892 962981649 /nfs/dbraw/zinc/98/16/49/962981649.db2.gz GYOQNWPXHJZBBG-GFCCVEGCSA-N 2 1 238.310 1.558 20 0 BDADMP [NH2+]=CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965789 963009562 /nfs/dbraw/zinc/00/95/62/963009562.db2.gz MYXHMTVNOQNUIZ-YOGCLGLASA-N 2 1 207.321 1.588 20 0 BDADMP Nc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)nc[nH+]1 ZINC001155564920 963109677 /nfs/dbraw/zinc/10/96/77/963109677.db2.gz JLSOORREAPYGAP-MRVPVSSYSA-N 2 1 247.327 1.377 20 0 BDADMP C[NH2+][C@@H]1CCN1c1[nH+]ccc2[nH]ccc21 ZINC001156639920 963423591 /nfs/dbraw/zinc/42/35/91/963423591.db2.gz YVBZMIUXHUZSQR-JTQLQIEISA-N 2 1 202.261 1.319 20 0 BDADMP CC(C)[N@@H+](C)[C@H]1CCN(c2cc(N)cc[nH+]2)C1 ZINC001157001193 963510931 /nfs/dbraw/zinc/51/09/31/963510931.db2.gz KHTPQXGDJDIJGT-LBPRGKRZSA-N 2 1 234.347 1.583 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(c3cc(N)cc[nH+]3)C[C@H]21 ZINC001157262350 963565489 /nfs/dbraw/zinc/56/54/89/963565489.db2.gz VHFZGEKNQSZMLU-CMPLNLGQSA-N 2 1 232.331 1.194 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1N ZINC001157272123 963566389 /nfs/dbraw/zinc/56/63/89/963566389.db2.gz LAMFQBBSMDDHFZ-WCQYABFASA-N 2 1 246.358 1.503 20 0 BDADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCSC2)CC1 ZINC000725613766 963588735 /nfs/dbraw/zinc/58/87/35/963588735.db2.gz KCMZRXPOSZPQFR-VHSXEESVSA-N 2 1 200.351 1.305 20 0 BDADMP Cc1nc(NC2(C)CC[NH2+]CC2)cc(N(C)C)[nH+]1 ZINC001157397972 963598830 /nfs/dbraw/zinc/59/88/30/963598830.db2.gz ZZYYJEFYJAENBK-UHFFFAOYSA-N 2 1 249.362 1.405 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC001168127511 963802220 /nfs/dbraw/zinc/80/22/20/963802220.db2.gz FWBSCAWGECHEJH-KBPBESRZSA-N 2 1 240.391 1.972 20 0 BDADMP CC(C)Oc1ccnc(N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001158433925 963874265 /nfs/dbraw/zinc/87/42/65/963874265.db2.gz PUSKDYPVCPVKLT-LBPRGKRZSA-N 2 1 247.342 1.763 20 0 BDADMP CC[C@@H]1C[N@@H+](CCc2cccnc2)CC[C@@H]1[NH3+] ZINC000147518177 964014628 /nfs/dbraw/zinc/01/46/28/964014628.db2.gz HVBFUIDPJCYZCG-KGLIPLIRSA-N 2 1 233.359 1.683 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC001168314640 964419687 /nfs/dbraw/zinc/41/96/87/964419687.db2.gz NZCPYPXQXNGVMM-BPCQOVAHSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315274 964424620 /nfs/dbraw/zinc/42/46/20/964424620.db2.gz TXXBZXKGJLLIPO-ABXWRUBCSA-N 2 1 240.391 1.562 20 0 BDADMP CO[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315961 964436002 /nfs/dbraw/zinc/43/60/02/964436002.db2.gz SOEIAFQPPMZHGW-JXQTWKCFSA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001168315914 964436931 /nfs/dbraw/zinc/43/69/31/964436931.db2.gz QTNBCDFGVIMRJL-UHFFFAOYSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@@H]1COCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168326698 964456916 /nfs/dbraw/zinc/45/69/16/964456916.db2.gz DMQHLBAWRLNGFG-IYXRBSQSSA-N 2 1 240.391 1.970 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[N@H+]2C1CCC([NH+](C)C)CC1 ZINC001168329163 964458714 /nfs/dbraw/zinc/45/87/14/964458714.db2.gz NYLVOPYGYMBDCJ-HOAMVYINSA-N 2 1 237.391 1.248 20 0 BDADMP COC[C@H]1CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168329959 964465664 /nfs/dbraw/zinc/46/56/64/964465664.db2.gz LMVYIXNKRPEOOT-WXRRBKDZSA-N 2 1 226.364 1.580 20 0 BDADMP COC(=O)c1c(C)cc(C)[nH+]c1NC/C=C/C[NH3+] ZINC001160976630 964467183 /nfs/dbraw/zinc/46/71/83/964467183.db2.gz CSFLZNKJLPYPOB-SNAWJCMRSA-N 2 1 249.314 1.412 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)C1CCC1)C[NH+](C)C ZINC000926959252 964530808 /nfs/dbraw/zinc/53/08/08/964530808.db2.gz APFRKTYOXIHLOT-DGCLKSJQSA-N 2 1 228.380 1.731 20 0 BDADMP N[C@@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001204903649 964614240 /nfs/dbraw/zinc/61/42/40/964614240.db2.gz ACHRWUMHUIHFHM-CYBMUJFWSA-N 2 1 249.402 1.189 20 0 BDADMP N[C@@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)CC12CC2 ZINC001204903649 964614248 /nfs/dbraw/zinc/61/42/48/964614248.db2.gz ACHRWUMHUIHFHM-CYBMUJFWSA-N 2 1 249.402 1.189 20 0 BDADMP C[NH+](C)CCCCNc1c[nH+]c2c(c1)CCCN2 ZINC001161737152 964724233 /nfs/dbraw/zinc/72/42/33/964724233.db2.gz YDHFNRLDEAIMLD-UHFFFAOYSA-N 2 1 248.374 1.481 20 0 BDADMP CCN(C)c1cc[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)n1 ZINC001162325354 964931653 /nfs/dbraw/zinc/93/16/53/964931653.db2.gz WPGRJOSXBPVIJR-WVSHTKLVSA-N 2 1 235.335 1.224 20 0 BDADMP CNc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC001162396836 964956542 /nfs/dbraw/zinc/95/65/42/964956542.db2.gz OJHCUKYSPZJZQE-VHSXEESVSA-N 2 1 220.320 1.805 20 0 BDADMP CC[N@H+]1CCC[C@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224817123 964986722 /nfs/dbraw/zinc/98/67/22/964986722.db2.gz HNSUJXUCKWUAQC-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC[C@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224817123 964986727 /nfs/dbraw/zinc/98/67/27/964986727.db2.gz HNSUJXUCKWUAQC-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC[C@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224817123 964986729 /nfs/dbraw/zinc/98/67/29/964986729.db2.gz HNSUJXUCKWUAQC-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC[N@H+]1CCC[C@@H](OC[C@@H]2CCC[NH+]2C)C1 ZINC001224817121 964988162 /nfs/dbraw/zinc/98/81/62/964988162.db2.gz HNSUJXUCKWUAQC-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224817121 964988175 /nfs/dbraw/zinc/98/81/75/964988175.db2.gz HNSUJXUCKWUAQC-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC[C@@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224817121 964988184 /nfs/dbraw/zinc/98/81/84/964988184.db2.gz HNSUJXUCKWUAQC-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP Cc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)c2[nH+]ccn2c1 ZINC001162478138 964992056 /nfs/dbraw/zinc/99/20/56/964992056.db2.gz VRLZOFLOZQMEEL-QWRGUYRKSA-N 2 1 248.305 1.755 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168374227 964996009 /nfs/dbraw/zinc/99/60/09/964996009.db2.gz XWBXYWBRGUATOG-BXUZGUMPSA-N 2 1 238.375 1.316 20 0 BDADMP Cc1cc[nH+]c(C)c1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162677268 965109517 /nfs/dbraw/zinc/10/95/17/965109517.db2.gz DQAHDHXLODHEEM-MWLCHTKSSA-N 2 1 205.305 1.861 20 0 BDADMP COc1ccc(C)[nH+]c1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162791904 965183351 /nfs/dbraw/zinc/18/33/51/965183351.db2.gz FCAMXBZUELYFIZ-IJLUTSLNSA-N 2 1 245.326 1.585 20 0 BDADMP Cc1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)[nH+]c1 ZINC001163159565 965270955 /nfs/dbraw/zinc/27/09/55/965270955.db2.gz JOXCUQULLKKCNJ-UPJWGTAASA-N 2 1 247.342 1.426 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1Cc1[nH+]cc2ccccn21 ZINC001205063800 965283100 /nfs/dbraw/zinc/28/31/00/965283100.db2.gz BSSHAANOQFTCMU-RYUDHWBXSA-N 2 1 244.342 1.646 20 0 BDADMP Cc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc(C)[nH+]1 ZINC001163252845 965317281 /nfs/dbraw/zinc/31/72/81/965317281.db2.gz BQWTUIJWBLSEAI-WOPDTQHZSA-N 2 1 232.331 1.503 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000714960810 965569658 /nfs/dbraw/zinc/56/96/58/965569658.db2.gz JUZKDJJJDYCNEI-RWMBFGLXSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1[nH+]ccn1CCNc1[nH+]ccc(N)c1C ZINC001163920045 965632431 /nfs/dbraw/zinc/63/24/31/965632431.db2.gz PNRCUQQIFSKGIH-UHFFFAOYSA-N 2 1 231.303 1.589 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]c1cccc(=O)n1C ZINC001163930022 965641596 /nfs/dbraw/zinc/64/15/96/965641596.db2.gz YPTYZSPAXYEBOG-UHFFFAOYSA-N 2 1 232.287 1.002 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093619 965717019 /nfs/dbraw/zinc/71/70/19/965717019.db2.gz CMIHTGFCNAPJQU-LBPRGKRZSA-N 2 1 236.363 1.777 20 0 BDADMP CC(C)n1nccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093619 965717026 /nfs/dbraw/zinc/71/70/26/965717026.db2.gz CMIHTGFCNAPJQU-LBPRGKRZSA-N 2 1 236.363 1.777 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)[nH]1 ZINC001205095386 965742110 /nfs/dbraw/zinc/74/21/10/965742110.db2.gz XLTVLVNHFMQAIH-LLVKDONJSA-N 2 1 207.321 1.636 20 0 BDADMP C[C@]1(C[NH3+])CCCN(c2ccc(N)c[nH+]2)CC1 ZINC001164242882 965810261 /nfs/dbraw/zinc/81/02/61/965810261.db2.gz SSOCHCZYMKHMSS-ZDUSSCGKSA-N 2 1 234.347 1.619 20 0 BDADMP COC[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699213052 965815744 /nfs/dbraw/zinc/81/57/44/965815744.db2.gz YEWVWWWQHYAZGD-RLAWYHOSSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3cnccc23)CC1 ZINC001205109062 965824431 /nfs/dbraw/zinc/82/44/31/965824431.db2.gz ACWMFSHPEJIQNT-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccn3ccnc3c2)CC1 ZINC001205110129 965836735 /nfs/dbraw/zinc/83/67/35/965836735.db2.gz PGTMZQRSACGAFH-CYBMUJFWSA-N 2 1 244.342 1.648 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(C)n1 ZINC001205116597 965866572 /nfs/dbraw/zinc/86/65/72/965866572.db2.gz DKMFDXPMSBEGJD-CYBMUJFWSA-N 2 1 249.358 1.712 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)n1 ZINC001205116597 965866574 /nfs/dbraw/zinc/86/65/74/965866574.db2.gz DKMFDXPMSBEGJD-CYBMUJFWSA-N 2 1 249.358 1.712 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000699555691 965972503 /nfs/dbraw/zinc/97/25/03/965972503.db2.gz CRMJUSWVZDMYTN-JWURUJNWSA-N 2 1 238.375 1.626 20 0 BDADMP C[N@@H+]1C[C@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@H]2C1 ZINC001165152508 965977264 /nfs/dbraw/zinc/97/72/64/965977264.db2.gz YBCKWRPLBIXGTJ-TXEJJXNPSA-N 2 1 242.326 1.561 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1COC[C@@H]1C ZINC000699625627 966013912 /nfs/dbraw/zinc/01/39/12/966013912.db2.gz HGIXABOAYYMJEX-CMPLNLGQSA-N 2 1 223.320 1.206 20 0 BDADMP COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205146078 966047459 /nfs/dbraw/zinc/04/74/59/966047459.db2.gz MOJQQKBMEREQSO-NWDGAFQWSA-N 2 1 249.358 1.425 20 0 BDADMP C[C@@H]([NH3+])CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001235808743 966119468 /nfs/dbraw/zinc/11/94/68/966119468.db2.gz GEHLTOTUUBFBFN-CYBMUJFWSA-N 2 1 245.370 1.294 20 0 BDADMP C[C@@H]([NH3+])CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001235808743 966119475 /nfs/dbraw/zinc/11/94/75/966119475.db2.gz GEHLTOTUUBFBFN-CYBMUJFWSA-N 2 1 245.370 1.294 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1ccncc1 ZINC001205171754 966205843 /nfs/dbraw/zinc/20/58/43/966205843.db2.gz XCMVJIREKAXVFK-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1ccncc1 ZINC001205171754 966205854 /nfs/dbraw/zinc/20/58/54/966205854.db2.gz XCMVJIREKAXVFK-DGCLKSJQSA-N 2 1 219.332 1.436 20 0 BDADMP COC(=[NH2+])c1cccc(-n2ccnc2CC[NH3+])c1 ZINC001166383275 966273331 /nfs/dbraw/zinc/27/33/31/966273331.db2.gz OLRQSDPKAYYXIX-UHFFFAOYSA-N 2 1 244.298 1.345 20 0 BDADMP C[N@@H+](CCCC[NH3+])C[C@H](N)Cc1ccccc1 ZINC001236139987 966274749 /nfs/dbraw/zinc/27/47/49/966274749.db2.gz BTFHLIFKMSWQAA-CQSZACIVSA-N 2 1 235.375 1.227 20 0 BDADMP CN(CCCC[NH3+])C[C@H]([NH3+])Cc1ccccc1 ZINC001236139987 966274757 /nfs/dbraw/zinc/27/47/57/966274757.db2.gz BTFHLIFKMSWQAA-CQSZACIVSA-N 2 1 235.375 1.227 20 0 BDADMP C[N@H+](CCCC[NH3+])C[C@H]([NH3+])Cc1ccccc1 ZINC001236139987 966274770 /nfs/dbraw/zinc/27/47/70/966274770.db2.gz BTFHLIFKMSWQAA-CQSZACIVSA-N 3 1 235.375 1.227 20 0 BDADMP C[N@@H+](CCCC[NH3+])C[C@H]([NH3+])Cc1ccccc1 ZINC001236139987 966274781 /nfs/dbraw/zinc/27/47/81/966274781.db2.gz BTFHLIFKMSWQAA-CQSZACIVSA-N 3 1 235.375 1.227 20 0 BDADMP Cc1[nH]c2ncccc2c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206718217 966411149 /nfs/dbraw/zinc/41/11/49/966411149.db2.gz MFMPACPLRRLZGY-UHFFFAOYSA-N 2 1 244.342 1.652 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384729 966653950 /nfs/dbraw/zinc/65/39/50/966653950.db2.gz XSBIGMBTGCZHEW-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384729 966653964 /nfs/dbraw/zinc/65/39/64/966653964.db2.gz XSBIGMBTGCZHEW-UONOGXRCSA-N 2 1 239.407 1.579 20 0 BDADMP CC(C)CC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210814 966847471 /nfs/dbraw/zinc/84/74/71/966847471.db2.gz RLXMKBFVHICSRU-GFCCVEGCSA-N 2 1 214.353 1.208 20 0 BDADMP CCCCC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210513 966848831 /nfs/dbraw/zinc/84/88/31/966848831.db2.gz PGCPGQZXSYGKMM-LBPRGKRZSA-N 2 1 214.353 1.352 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001204089075 966888698 /nfs/dbraw/zinc/88/86/98/966888698.db2.gz KCFIULGDQYITSN-SOUVJXGZSA-N 2 1 245.370 1.820 20 0 BDADMP CN(C)c1cc(Nc2ccc[nH+]c2N)cc[nH+]1 ZINC001212394976 967020477 /nfs/dbraw/zinc/02/04/77/967020477.db2.gz BZSVYQGFXXEGMN-UHFFFAOYSA-N 2 1 229.287 1.868 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001204848712 967202173 /nfs/dbraw/zinc/20/21/73/967202173.db2.gz RHTSCUBFZSWSIG-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000691351010 967260597 /nfs/dbraw/zinc/26/05/97/967260597.db2.gz OWPWNQCTXWQGCF-MJBXVCDLSA-N 2 1 238.375 1.031 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693561854 967264322 /nfs/dbraw/zinc/26/43/22/967264322.db2.gz KXLZPVWPSHJLMS-YTWAJWBKSA-N 2 1 214.378 1.550 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2ncc(F)cc2F)CC1 ZINC001205033406 967295603 /nfs/dbraw/zinc/29/56/03/967295603.db2.gz GJHSLQVDOPWECX-UHFFFAOYSA-N 2 1 241.285 1.531 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)[nH]1 ZINC001205102612 967347161 /nfs/dbraw/zinc/34/71/61/967347161.db2.gz UMTVWDPURXTFAD-LBPRGKRZSA-N 2 1 221.348 1.945 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001205101678 967349145 /nfs/dbraw/zinc/34/91/45/967349145.db2.gz IWKVOAAPKIHFGB-ZDUSSCGKSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnn3ccccc23)CC1 ZINC001205117761 967363236 /nfs/dbraw/zinc/36/32/36/967363236.db2.gz UMCPSBKYMYRSQE-CYBMUJFWSA-N 2 1 244.342 1.648 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124238 967372179 /nfs/dbraw/zinc/37/21/79/967372179.db2.gz MDCJGLBLPCZXIS-LLVKDONJSA-N 2 1 222.336 1.285 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3nonc32)C[C@H]1C[NH3+] ZINC001205131169 967378285 /nfs/dbraw/zinc/37/82/85/967378285.db2.gz SDJZCQJBNZWUAX-GXSJLCMTSA-N 2 1 246.314 1.249 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c(N)cccc2F)C[C@H]1C[NH3+] ZINC001205140186 967390993 /nfs/dbraw/zinc/39/09/93/967390993.db2.gz BPXAJAQPSJVPIQ-VHSXEESVSA-N 2 1 237.322 1.435 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cnccc2N)CC1 ZINC001205266798 967456075 /nfs/dbraw/zinc/45/60/75/967456075.db2.gz XZTZTHCAHPHFFU-CYBMUJFWSA-N 2 1 234.347 1.197 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cnccc2N)CC1 ZINC001205266798 967456081 /nfs/dbraw/zinc/45/60/81/967456081.db2.gz XZTZTHCAHPHFFU-CYBMUJFWSA-N 2 1 234.347 1.197 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccns2)CC1 ZINC001205280605 967471944 /nfs/dbraw/zinc/47/19/44/967471944.db2.gz DEYRBUSGTJLTNL-LLVKDONJSA-N 2 1 225.361 1.846 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccns2)CC1 ZINC001205280605 967471950 /nfs/dbraw/zinc/47/19/50/967471950.db2.gz DEYRBUSGTJLTNL-LLVKDONJSA-N 2 1 225.361 1.846 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]ccc2=O)CC1 ZINC001205288846 967484694 /nfs/dbraw/zinc/48/46/94/967484694.db2.gz PBAFSEQDEPVBGR-CYBMUJFWSA-N 2 1 235.331 1.078 20 0 BDADMP C[NH+]1CCN(CCCc2ccc(C[NH3+])cc2)CC1 ZINC001250228531 967544685 /nfs/dbraw/zinc/54/46/85/967544685.db2.gz CFPBRCOSAVMCOO-UHFFFAOYSA-N 2 1 247.386 1.325 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](CCC2CC2)CC1 ZINC001205545540 967687599 /nfs/dbraw/zinc/68/75/99/967687599.db2.gz JBLQBMIMZCGBFD-LBPRGKRZSA-N 2 1 214.328 1.939 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccncc2)CC1 ZINC001205545445 967692450 /nfs/dbraw/zinc/69/24/50/967692450.db2.gz HIRJZUGTNVNDFE-CYBMUJFWSA-N 2 1 237.322 1.735 20 0 BDADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])CC[C@@H]1C[NH3+] ZINC001205604310 967722674 /nfs/dbraw/zinc/72/26/74/967722674.db2.gz UTIOZMYZCDRXCV-ZIAGYGMSSA-N 3 1 241.423 1.812 20 0 BDADMP Cc1cnc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cn1 ZINC001205617764 967725284 /nfs/dbraw/zinc/72/52/84/967725284.db2.gz NHJNAIQCYOVYRD-WCQYABFASA-N 2 1 248.374 1.592 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC[C@@H]1C[NH3+] ZINC001205618055 967727462 /nfs/dbraw/zinc/72/74/62/967727462.db2.gz RACLSVKFQUHQRL-DGCLKSJQSA-N 2 1 249.358 1.594 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cscn2)CC[C@@H]1C[NH3+] ZINC001205615798 967728802 /nfs/dbraw/zinc/72/88/02/967728802.db2.gz BDHRUHSTZOYYSS-GHMZBOCLSA-N 2 1 239.388 1.950 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)CC[C@H]1C[NH3+] ZINC001205618709 967730883 /nfs/dbraw/zinc/73/08/83/967730883.db2.gz YHRLUDDCNXQTKF-YPMHNXCESA-N 2 1 249.358 1.594 20 0 BDADMP Cc1nccnc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205629480 967732454 /nfs/dbraw/zinc/73/24/54/967732454.db2.gz ZEJLMBXHHIIAGH-DGCLKSJQSA-N 2 1 248.374 1.592 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccncc2N)CC[C@@H]1C[NH3+] ZINC001205626956 967733113 /nfs/dbraw/zinc/73/31/13/967733113.db2.gz KXSIZYGVGYLMHU-VXGBXAGGSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1ncoc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205627695 967734220 /nfs/dbraw/zinc/73/42/20/967734220.db2.gz RRUSOCFMQZJISV-PWSUYJOCSA-N 2 1 237.347 1.790 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2cccnc2N)CC[C@@H]1C[NH3+] ZINC001205637033 967736445 /nfs/dbraw/zinc/73/64/45/967736445.db2.gz GFJTVIJUNROTQI-VXGBXAGGSA-N 2 1 248.374 1.471 20 0 BDADMP Cc1ncoc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205627694 967738449 /nfs/dbraw/zinc/73/84/49/967738449.db2.gz RRUSOCFMQZJISV-JQWIXIFHSA-N 2 1 237.347 1.790 20 0 BDADMP Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)o1 ZINC001205662579 967742102 /nfs/dbraw/zinc/74/21/02/967742102.db2.gz CJLVLAUZYVARCW-ZDUSSCGKSA-N 2 1 238.331 1.264 20 0 BDADMP Cc1ccnc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205674064 967761729 /nfs/dbraw/zinc/76/17/29/967761729.db2.gz YPGGSGXZHZTUOA-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1ccnc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205674064 967761738 /nfs/dbraw/zinc/76/17/38/967761738.db2.gz YPGGSGXZHZTUOA-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP Cc1cccnc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205671852 967763367 /nfs/dbraw/zinc/76/33/67/967763367.db2.gz FIQZYOMOURRCHJ-AWEZNQCLSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@H]1CC[C@H](CN)[N@@H+](CCCCCC[NH3+])C1 ZINC001205807042 967828562 /nfs/dbraw/zinc/82/85/62/967828562.db2.gz XLTLPOXJUAYAIX-QWHCGFSZSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@H]1CC[C@H](C[NH3+])N(CCCCCC[NH3+])C1 ZINC001205807042 967828567 /nfs/dbraw/zinc/82/85/67/967828567.db2.gz XLTLPOXJUAYAIX-QWHCGFSZSA-N 2 1 227.396 1.565 20 0 BDADMP Cn1c([NH2+][C@@H]2CCC[C@H]([NH3+])C2)cccc1=O ZINC001162402543 967828913 /nfs/dbraw/zinc/82/89/13/967828913.db2.gz UAELYCCULJSBRI-VHSXEESVSA-N 2 1 221.304 1.067 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(N)c2)C1 ZINC001205839417 967849132 /nfs/dbraw/zinc/84/91/32/967849132.db2.gz FSOMOOWPVQIYAS-RISCZKNCSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(N)c2)C1 ZINC001205839417 967849133 /nfs/dbraw/zinc/84/91/33/967849133.db2.gz FSOMOOWPVQIYAS-RISCZKNCSA-N 2 1 233.359 1.828 20 0 BDADMP C[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC1CCOCC1 ZINC001205923299 967876666 /nfs/dbraw/zinc/87/66/66/967876666.db2.gz MLXXTCGUFFCSDC-LBPRGKRZSA-N 2 1 242.363 1.069 20 0 BDADMP C[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC1CCOCC1 ZINC001205923299 967876663 /nfs/dbraw/zinc/87/66/63/967876663.db2.gz MLXXTCGUFFCSDC-LBPRGKRZSA-N 2 1 242.363 1.069 20 0 BDADMP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H](N)Cc1ccccc1 ZINC001205922864 967886615 /nfs/dbraw/zinc/88/66/15/967886615.db2.gz CLTOVSJMTJJMCZ-YUELXQCFSA-N 2 1 248.370 1.402 20 0 BDADMP C[N@@H+]1CCO[C@@H](CNc2c[nH+]cc3cc[nH]c32)C1 ZINC001162688880 967887972 /nfs/dbraw/zinc/88/79/72/967887972.db2.gz VYBBGDNGRAFYST-NSHDSACASA-N 2 1 246.314 1.305 20 0 BDADMP C[N@H+]1CCO[C@@H](CNc2c[nH+]cc3cc[nH]c32)C1 ZINC001162688880 967887975 /nfs/dbraw/zinc/88/79/75/967887975.db2.gz VYBBGDNGRAFYST-NSHDSACASA-N 2 1 246.314 1.305 20 0 BDADMP N[C@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001205925857 967888762 /nfs/dbraw/zinc/88/87/62/967888762.db2.gz ZQGCTZGYDMICEL-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@H]1CCCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC001205925857 967888763 /nfs/dbraw/zinc/88/87/63/967888763.db2.gz ZQGCTZGYDMICEL-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP N[C@@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205925859 967889809 /nfs/dbraw/zinc/88/98/09/967889809.db2.gz ZQGCTZGYDMICEL-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+][C@@H]1CCCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC001205925859 967889810 /nfs/dbraw/zinc/88/98/10/967889810.db2.gz ZQGCTZGYDMICEL-QWHCGFSZSA-N 2 1 225.380 1.189 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C)c1 ZINC001205946914 967895926 /nfs/dbraw/zinc/89/59/26/967895926.db2.gz TXKSDFBWMUOGGG-ZIAGYGMSSA-N 2 1 234.343 1.197 20 0 BDADMP CCc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205972969 967913908 /nfs/dbraw/zinc/91/39/08/967913908.db2.gz DTFXWUKUWCWMDW-HUUCEWRRSA-N 2 1 248.370 1.451 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981125 967926088 /nfs/dbraw/zinc/92/60/88/967926088.db2.gz BSWDEGZICNXRCN-RYUDHWBXSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCO)CCC[C@@H]1C[NH3+] ZINC001205984698 967931462 /nfs/dbraw/zinc/93/14/62/967931462.db2.gz UJXRSJPKYLTDIK-CHWSQXEVSA-N 2 1 228.380 1.456 20 0 BDADMP C[C@H]1C[N@@H+](CCCCC[NH3+])CCC[C@H]1C[NH3+] ZINC001205984234 967933234 /nfs/dbraw/zinc/93/32/34/967933234.db2.gz RLPFTEMBHJWBHR-STQMWFEESA-N 3 1 227.396 1.422 20 0 BDADMP C[C@@H]1C[N@@H+](CC23CC([NH3+])(C2)C3)CCC[C@H]1C[NH3+] ZINC001205982196 967935765 /nfs/dbraw/zinc/93/57/65/967935765.db2.gz LKYJUXACRRVGQE-KBHBFKLGSA-N 3 1 237.391 1.175 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CCC[C@H]1C[NH3+] ZINC001205996161 967947563 /nfs/dbraw/zinc/94/75/63/967947563.db2.gz VOHAPINWGRKFRN-RYUDHWBXSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCC[C@@H]1C[NH3+] ZINC001205995239 967947714 /nfs/dbraw/zinc/94/77/14/967947714.db2.gz NJIKVOZRMBTUEX-DGCLKSJQSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cncs2)CCC[C@H]1C[NH3+] ZINC001205996769 967948322 /nfs/dbraw/zinc/94/83/22/967948322.db2.gz YGEZUZZGWPNEKO-QWRGUYRKSA-N 2 1 239.388 1.950 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001206004182 967960812 /nfs/dbraw/zinc/96/08/12/967960812.db2.gz RALPPUSIXISPAO-CMPLNLGQSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1nonc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206036754 967991562 /nfs/dbraw/zinc/99/15/62/967991562.db2.gz PJWDXRFZGSWRIX-ONGXEEELSA-N 2 1 238.335 1.185 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001206108644 968065194 /nfs/dbraw/zinc/06/51/94/968065194.db2.gz JFYBZXSQFQHTEL-RNJOBUHISA-N 2 1 226.364 1.340 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001206108644 968065201 /nfs/dbraw/zinc/06/52/01/968065201.db2.gz JFYBZXSQFQHTEL-RNJOBUHISA-N 2 1 226.364 1.340 20 0 BDADMP CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154302 968090675 /nfs/dbraw/zinc/09/06/75/968090675.db2.gz ITASSFLNSOLKFV-WDEREUQCSA-N 2 1 202.317 1.938 20 0 BDADMP CCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154302 968090685 /nfs/dbraw/zinc/09/06/85/968090685.db2.gz ITASSFLNSOLKFV-WDEREUQCSA-N 2 1 202.317 1.938 20 0 BDADMP CC1(C)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000693590547 968094681 /nfs/dbraw/zinc/09/46/81/968094681.db2.gz CJDLLKHCXWAABZ-PHIMTYICSA-N 2 1 228.405 1.941 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)nc1 ZINC001206175233 968106575 /nfs/dbraw/zinc/10/65/75/968106575.db2.gz SUDHKECIAFMLDU-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)nc1 ZINC001206175233 968106583 /nfs/dbraw/zinc/10/65/83/968106583.db2.gz SUDHKECIAFMLDU-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2CSC2)CC[N@H+]1C ZINC000697967397 968163389 /nfs/dbraw/zinc/16/33/89/968163389.db2.gz HQNHGOYFLRKGKX-ONGXEEELSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001206296137 968201236 /nfs/dbraw/zinc/20/12/36/968201236.db2.gz PPRYKLNQMDWJFV-ZIAGYGMSSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ncccc2O)CC1 ZINC001206304451 968209344 /nfs/dbraw/zinc/20/93/44/968209344.db2.gz KWKPCKYKLZFVHX-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncccc2O)CC1 ZINC001206304451 968209355 /nfs/dbraw/zinc/20/93/55/968209355.db2.gz KWKPCKYKLZFVHX-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1c[nH]c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206303592 968211968 /nfs/dbraw/zinc/21/19/68/968211968.db2.gz DKMORIHFUJRWPG-ZDUSSCGKSA-N 2 1 236.363 1.669 20 0 BDADMP Cc1coc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206324744 968230384 /nfs/dbraw/zinc/23/03/84/968230384.db2.gz CZUJDXRTCLWTEL-CYBMUJFWSA-N 2 1 237.347 1.934 20 0 BDADMP Cc1ncncc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206326830 968233845 /nfs/dbraw/zinc/23/38/45/968233845.db2.gz PNNOMOFAVXUNAU-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC001206337882 968243864 /nfs/dbraw/zinc/24/38/64/968243864.db2.gz WMBJCKCIKYYARB-QWHCGFSZSA-N 2 1 242.338 1.832 20 0 BDADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC001206337882 968243873 /nfs/dbraw/zinc/24/38/73/968243873.db2.gz WMBJCKCIKYYARB-QWHCGFSZSA-N 2 1 242.338 1.832 20 0 BDADMP Cc1c[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC001165146927 968269291 /nfs/dbraw/zinc/26/92/91/968269291.db2.gz GVCUBPOQDLHJJZ-STQMWFEESA-N 2 1 231.343 1.696 20 0 BDADMP CCCC[N@@H+](C)CCC[NH2+]C[C@H](O)CC ZINC001251799877 968338062 /nfs/dbraw/zinc/33/80/62/968338062.db2.gz YXWSQNVXKUSWIN-GFCCVEGCSA-N 2 1 216.369 1.469 20 0 BDADMP Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206512648 968346258 /nfs/dbraw/zinc/34/62/58/968346258.db2.gz SJHHEYAYJYAXBF-ZFWWWQNUSA-N 2 1 248.370 1.363 20 0 BDADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001251819645 968353831 /nfs/dbraw/zinc/35/38/31/968353831.db2.gz XHJYJZCJRPMSTO-XQQFMLRXSA-N 2 1 228.380 1.466 20 0 BDADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001251819644 968354701 /nfs/dbraw/zinc/35/47/01/968354701.db2.gz XHJYJZCJRPMSTO-UPJWGTAASA-N 2 1 228.380 1.466 20 0 BDADMP COC(=O)[C@@H](C)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541957 968354962 /nfs/dbraw/zinc/35/49/62/968354962.db2.gz OGPFPCFPXOGRAC-WCQYABFASA-N 2 1 242.363 1.246 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3ccoc32)C[C@@H]1O ZINC001206535612 968364133 /nfs/dbraw/zinc/36/41/33/968364133.db2.gz NQTSVRQTYGWTRU-STQMWFEESA-N 2 1 246.310 1.184 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](CCC2C[NH2+]C2)C1 ZINC001206541268 968366217 /nfs/dbraw/zinc/36/62/17/968366217.db2.gz GCKDGAGDSYCEGC-CYBMUJFWSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@]1(CN)CCCC[N@H+](CCC2C[NH2+]C2)C1 ZINC001206541268 968366228 /nfs/dbraw/zinc/36/62/28/968366228.db2.gz GCKDGAGDSYCEGC-CYBMUJFWSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@]1(CN)CCCC[N@@H+](CCC2C[NH2+]C2)C1 ZINC001206541268 968366238 /nfs/dbraw/zinc/36/62/38/968366238.db2.gz GCKDGAGDSYCEGC-CYBMUJFWSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](CCC2C[NH2+]C2)C1 ZINC001206541271 968366807 /nfs/dbraw/zinc/36/68/07/968366807.db2.gz GCKDGAGDSYCEGC-ZDUSSCGKSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@]1(CN)CCCC[N@H+](CCC2C[NH2+]C2)C1 ZINC001206541271 968366810 /nfs/dbraw/zinc/36/68/10/968366810.db2.gz GCKDGAGDSYCEGC-ZDUSSCGKSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@@]1(CN)CCCC[N@@H+](CCC2C[NH2+]C2)C1 ZINC001206541271 968366818 /nfs/dbraw/zinc/36/68/18/968366818.db2.gz GCKDGAGDSYCEGC-ZDUSSCGKSA-N 2 1 225.380 1.047 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556034 968380879 /nfs/dbraw/zinc/38/08/79/968380879.db2.gz MOMYKEGKYTUJPK-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1nccnc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206556034 968380883 /nfs/dbraw/zinc/38/08/83/968380883.db2.gz MOMYKEGKYTUJPK-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1ncc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)o1 ZINC001206564511 968387868 /nfs/dbraw/zinc/38/78/68/968387868.db2.gz PSJVTGHODLUFHP-ZDUSSCGKSA-N 2 1 237.347 1.934 20 0 BDADMP Cc1ncc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)o1 ZINC001206564511 968387878 /nfs/dbraw/zinc/38/78/78/968387878.db2.gz PSJVTGHODLUFHP-ZDUSSCGKSA-N 2 1 237.347 1.934 20 0 BDADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001251961337 968395766 /nfs/dbraw/zinc/39/57/66/968395766.db2.gz ISOBQTYXJPJRJA-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)[N@@H+](CCCC[NH3+])[C@H]1CCC[NH2+]CC1 ZINC001206582138 968399317 /nfs/dbraw/zinc/39/93/17/968399317.db2.gz MDIOANVLAZYSAD-ZDUSSCGKSA-N 3 1 227.396 1.578 20 0 BDADMP Cc1ncc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC001206606865 968415811 /nfs/dbraw/zinc/41/58/11/968415811.db2.gz VHESQDQTBPNMLO-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP Cc1ncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC001206606865 968415819 /nfs/dbraw/zinc/41/58/19/968415819.db2.gz VHESQDQTBPNMLO-LBPRGKRZSA-N 2 1 234.347 1.346 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606536 968416626 /nfs/dbraw/zinc/41/66/26/968416626.db2.gz OKWOYONATJDZRG-ZDUSSCGKSA-N 3 1 241.423 1.635 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606536 968416634 /nfs/dbraw/zinc/41/66/34/968416634.db2.gz OKWOYONATJDZRG-ZDUSSCGKSA-N 3 1 241.423 1.635 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC001206624255 968422093 /nfs/dbraw/zinc/42/20/93/968422093.db2.gz SAFMIPWIWDMUTR-LLVKDONJSA-N 2 1 238.331 1.333 20 0 BDADMP CCCC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC001252076710 968492982 /nfs/dbraw/zinc/49/29/82/968492982.db2.gz MIHJUOQADKMJJP-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP CCCC[C@@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252101078 968580325 /nfs/dbraw/zinc/58/03/25/968580325.db2.gz ZXFSGYPMIRBRHX-CQSZACIVSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC(C)(C)O)CC1 ZINC001252354570 968632525 /nfs/dbraw/zinc/63/25/25/968632525.db2.gz SIJYOYFQMNIQSQ-UHFFFAOYSA-N 2 1 242.407 1.810 20 0 BDADMP CCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403240561 968672346 /nfs/dbraw/zinc/67/23/46/968672346.db2.gz PNISNUYPLKAHMM-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](CO)CC1 ZINC001207276365 968710379 /nfs/dbraw/zinc/71/03/79/968710379.db2.gz WERAWQGTFOYOOF-ZDUSSCGKSA-N 2 1 242.407 1.669 20 0 BDADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001207280341 968714355 /nfs/dbraw/zinc/71/43/55/968714355.db2.gz VQKWEABJJRCHNQ-TXEJJXNPSA-N 2 1 226.364 1.152 20 0 BDADMP COCC[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207437611 968770277 /nfs/dbraw/zinc/77/02/77/968770277.db2.gz MDSQJBUBPULQTF-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001207435427 968770405 /nfs/dbraw/zinc/77/04/05/968770405.db2.gz DYAILHNIKXSUGA-ZDUSSCGKSA-N 2 1 224.348 1.241 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001207435429 968770912 /nfs/dbraw/zinc/77/09/12/968770912.db2.gz FCMNHDZXRDHTHJ-AWEZNQCLSA-N 2 1 238.375 1.631 20 0 BDADMP c1cc2c(cn1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001207436591 968770926 /nfs/dbraw/zinc/77/09/26/968770926.db2.gz OWDJETZNKZKFCJ-UHFFFAOYSA-N 2 1 231.343 1.439 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207442307 968772870 /nfs/dbraw/zinc/77/28/70/968772870.db2.gz YAJSMZHBHUUDKI-UHFFFAOYSA-N 3 1 239.407 1.402 20 0 BDADMP FC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207443096 968774436 /nfs/dbraw/zinc/77/44/36/968774436.db2.gz NOLKAHAJHFFPEL-LLVKDONJSA-N 2 1 200.301 1.420 20 0 BDADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2CC1CC[NH2+]CC1 ZINC001207439433 968775949 /nfs/dbraw/zinc/77/59/49/968775949.db2.gz TUXBSJXNRFZWSO-SRVKXCTJSA-N 2 1 212.312 1.418 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@@]23CCOC3)CC1 ZINC001207488950 968803732 /nfs/dbraw/zinc/80/37/32/968803732.db2.gz TZJOWWTZQAUVOX-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000829121363 968821696 /nfs/dbraw/zinc/82/16/96/968821696.db2.gz BWCYQPSLYZHLFV-NEPJUHHUSA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@H]3CCSC3)[C@H]2C1 ZINC001207838133 968897487 /nfs/dbraw/zinc/89/74/87/968897487.db2.gz WGTUKRFCNHMBNZ-BJDJZHNGSA-N 2 1 226.389 1.422 20 0 BDADMP CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252785158 968959458 /nfs/dbraw/zinc/95/94/58/968959458.db2.gz AOPUMMPKOLAQEX-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001252785158 968959467 /nfs/dbraw/zinc/95/94/67/968959467.db2.gz AOPUMMPKOLAQEX-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001252785158 968959476 /nfs/dbraw/zinc/95/94/76/968959476.db2.gz AOPUMMPKOLAQEX-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC(=O)[C@@H]1CC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208112253 969007114 /nfs/dbraw/zinc/00/71/14/969007114.db2.gz UKJPFUZVWSAJOD-CYBMUJFWSA-N 2 1 238.375 1.629 20 0 BDADMP C[NH+]1CCC(C)(C[N@@H+]2CCC23COC3)CC1 ZINC001208114413 969007374 /nfs/dbraw/zinc/00/73/74/969007374.db2.gz VMXFHCTYFYWJKP-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCC23COC3)CC1 ZINC001208114413 969007381 /nfs/dbraw/zinc/00/73/81/969007381.db2.gz VMXFHCTYFYWJKP-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC(C)(C[N@H+]2CCCC(=O)CC2)CC1 ZINC001208109968 969008225 /nfs/dbraw/zinc/00/82/25/969008225.db2.gz QMOHXHPHGRAQOX-UHFFFAOYSA-N 2 1 238.375 1.773 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)[C@@H](C)CO1 ZINC001208110825 969010477 /nfs/dbraw/zinc/01/04/77/969010477.db2.gz HALLVBAMHAOGEN-QWHCGFSZSA-N 2 1 240.391 1.828 20 0 BDADMP C[NH+](C)CCN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC001208126515 969021292 /nfs/dbraw/zinc/02/12/92/969021292.db2.gz JGPUOFXRQAMVEE-HNNXBMFYSA-N 2 1 247.386 1.537 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](OC)C2)CC1 ZINC001208595487 969150019 /nfs/dbraw/zinc/15/00/19/969150019.db2.gz USIBKNKAJQIALC-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001253396208 969154528 /nfs/dbraw/zinc/15/45/28/969154528.db2.gz VVWLRMJCUSUETP-UTUOFQBUSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001253396208 969154532 /nfs/dbraw/zinc/15/45/32/969154532.db2.gz VVWLRMJCUSUETP-UTUOFQBUSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001253396206 969154621 /nfs/dbraw/zinc/15/46/21/969154621.db2.gz VVWLRMJCUSUETP-QJPTWQEYSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001253396206 969154623 /nfs/dbraw/zinc/15/46/23/969154623.db2.gz VVWLRMJCUSUETP-QJPTWQEYSA-N 2 1 226.364 1.220 20 0 BDADMP COC[C@H]1CC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208616154 969173234 /nfs/dbraw/zinc/17/32/34/969173234.db2.gz ZIYVHUSSLWWNIP-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H]1CC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208616154 969173237 /nfs/dbraw/zinc/17/32/37/969173237.db2.gz ZIYVHUSSLWWNIP-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP COC[C@H]1CC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208616154 969173245 /nfs/dbraw/zinc/17/32/45/969173245.db2.gz ZIYVHUSSLWWNIP-VXGBXAGGSA-N 2 1 212.337 1.049 20 0 BDADMP CCCCC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001253547208 969216178 /nfs/dbraw/zinc/21/61/78/969216178.db2.gz FQVUGPZURWGSAY-CHWSQXEVSA-N 2 1 228.380 1.469 20 0 BDADMP CCOC(C)(C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001209068415 969343937 /nfs/dbraw/zinc/34/39/37/969343937.db2.gz CNRHZDWOPFNBSH-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP CCOC(C)(C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209068415 969343945 /nfs/dbraw/zinc/34/39/45/969343945.db2.gz CNRHZDWOPFNBSH-UHFFFAOYSA-N 2 1 228.380 1.828 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205996357 969344267 /nfs/dbraw/zinc/34/42/67/969344267.db2.gz WKENIJWCJTXTKC-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205996357 969344273 /nfs/dbraw/zinc/34/42/73/969344273.db2.gz WKENIJWCJTXTKC-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205996357 969344278 /nfs/dbraw/zinc/34/42/78/969344278.db2.gz WKENIJWCJTXTKC-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CC1COC(C)(C)OC1 ZINC001209191075 969382953 /nfs/dbraw/zinc/38/29/53/969382953.db2.gz FQZZIKIHUALLNP-UHFFFAOYSA-N 2 1 244.379 1.269 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCCO)C2 ZINC001169096006 969386670 /nfs/dbraw/zinc/38/66/70/969386670.db2.gz UDXAXWDPUDQJFH-ZSOGYDGISA-N 2 1 240.391 1.754 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CSC1)C2 ZINC001169098924 969389791 /nfs/dbraw/zinc/38/97/91/969389791.db2.gz MLNRHAPGWJMGHG-ZSBIGDGJSA-N 2 1 226.389 1.564 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1C[C@H](F)C1)C2 ZINC001169097823 969391877 /nfs/dbraw/zinc/39/18/77/969391877.db2.gz CDHBPDUAAGGHOY-UMBVQODESA-N 2 1 226.339 1.949 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCC[NH+]1CCCC1)C2 ZINC001169077947 969395378 /nfs/dbraw/zinc/39/53/78/969395378.db2.gz CJDKNXCKYZWWOK-ZSOGYDGISA-N 2 1 237.391 1.297 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC(F)C1)C2 ZINC001169079232 969397710 /nfs/dbraw/zinc/39/77/10/969397710.db2.gz KEAUYRUCIFTINA-VQZRLGFTSA-N 2 1 212.312 1.702 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nccc1C[NH3+])C2 ZINC001169077865 969398017 /nfs/dbraw/zinc/39/80/17/969398017.db2.gz AVFRMBNICLJBQO-IAZYJMLFSA-N 2 1 220.320 1.140 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1F)C2 ZINC001169101505 969399176 /nfs/dbraw/zinc/39/91/76/969399176.db2.gz SYWYNAHVZIPPQV-FPYNETTCSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1F)C2 ZINC001169101505 969399182 /nfs/dbraw/zinc/39/91/82/969399182.db2.gz SYWYNAHVZIPPQV-FPYNETTCSA-N 2 1 242.338 1.328 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CCOCC1)C2 ZINC001169079767 969403739 /nfs/dbraw/zinc/40/37/39/969403739.db2.gz LJWDAXDZUZGMTM-BTTYYORXSA-N 2 1 238.375 1.628 20 0 BDADMP CC(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001253783053 969404622 /nfs/dbraw/zinc/40/46/22/969404622.db2.gz UQGVZXMFVIYDAB-CRWXNKLISA-N 2 1 240.391 1.608 20 0 BDADMP Cn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169082007 969404850 /nfs/dbraw/zinc/40/48/50/969404850.db2.gz XFFUWNNLFVPVDU-CLLJXQQHSA-N 2 1 234.347 1.135 20 0 BDADMP Cn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169082007 969404860 /nfs/dbraw/zinc/40/48/60/969404860.db2.gz XFFUWNNLFVPVDU-CLLJXQQHSA-N 2 1 234.347 1.135 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cccc1C[NH3+])C2 ZINC001169089326 969406979 /nfs/dbraw/zinc/40/69/79/969406979.db2.gz BIDRMVCNBWFINE-PTEHBNRSSA-N 2 1 219.332 1.745 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(C)(C)O)C2 ZINC001169092125 969409018 /nfs/dbraw/zinc/40/90/18/969409018.db2.gz YAQBMSGADBIADL-ZSBIGDGJSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(C[NH3+])n1)C2 ZINC001169092087 969410713 /nfs/dbraw/zinc/41/07/13/969410713.db2.gz XCSIALHXOFQGCM-ZSBIGDGJSA-N 2 1 220.320 1.140 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H]1CO)C2 ZINC001169120203 969413673 /nfs/dbraw/zinc/41/36/73/969413673.db2.gz ZLXBJBRJAXXBOD-HPCHECBXSA-N 2 1 238.375 1.362 20 0 BDADMP CC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169124270 969417833 /nfs/dbraw/zinc/41/78/33/969417833.db2.gz BICGSBCORKNRAH-BTTYYORXSA-N 2 1 237.391 1.249 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@]1(C)CCCOC1)C2 ZINC001169125350 969423679 /nfs/dbraw/zinc/42/36/79/969423679.db2.gz ZPFUFTYUWFWXHA-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP CO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169125966 969426274 /nfs/dbraw/zinc/42/62/74/969426274.db2.gz OHWXEICBXIAGAY-YVECIDJPSA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169125966 969426279 /nfs/dbraw/zinc/42/62/79/969426279.db2.gz OHWXEICBXIAGAY-YVECIDJPSA-N 2 1 224.348 1.332 20 0 BDADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169125966 969426284 /nfs/dbraw/zinc/42/62/84/969426284.db2.gz OHWXEICBXIAGAY-YVECIDJPSA-N 2 1 224.348 1.332 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125845 969427308 /nfs/dbraw/zinc/42/73/08/969427308.db2.gz MLVATAGNAAVGCF-BJJPWKGXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125845 969427314 /nfs/dbraw/zinc/42/73/14/969427314.db2.gz MLVATAGNAAVGCF-BJJPWKGXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125845 969427321 /nfs/dbraw/zinc/42/73/21/969427321.db2.gz MLVATAGNAAVGCF-BJJPWKGXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1[C@H](CO)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125845 969427326 /nfs/dbraw/zinc/42/73/26/969427326.db2.gz MLVATAGNAAVGCF-BJJPWKGXSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC001169125379 969429118 /nfs/dbraw/zinc/42/91/18/969429118.db2.gz HMHNDUAAMNJCKF-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001169125379 969429124 /nfs/dbraw/zinc/42/91/24/969429124.db2.gz HMHNDUAAMNJCKF-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001169125379 969429128 /nfs/dbraw/zinc/42/91/28/969429128.db2.gz HMHNDUAAMNJCKF-FQUUOJAGSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc3c1C[NH2+]CC3)C2 ZINC001169126512 969429922 /nfs/dbraw/zinc/42/99/22/969429922.db2.gz VOXYWARMTFOMKH-GDNZZTSVSA-N 2 1 246.358 1.327 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(CC(O)C3)C1)C2 ZINC001169126305 969434577 /nfs/dbraw/zinc/43/45/77/969434577.db2.gz RLQVHPKCBNRSEZ-GDNZZTSVSA-N 2 1 236.359 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(CC(O)C3)C1)C2 ZINC001169126305 969434581 /nfs/dbraw/zinc/43/45/81/969434581.db2.gz RLQVHPKCBNRSEZ-GDNZZTSVSA-N 2 1 236.359 1.068 20 0 BDADMP CC[C@@H]1COCCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142610 969456063 /nfs/dbraw/zinc/45/60/63/969456063.db2.gz DLISBCALWCVGQV-MQYQWHSLSA-N 2 1 238.375 1.722 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)nc1)C2 ZINC001169112706 969457518 /nfs/dbraw/zinc/45/75/18/969457518.db2.gz RVEPCOPZYSWLDM-XYYAHUGASA-N 2 1 249.333 1.936 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)nc1)C2 ZINC001169112706 969457525 /nfs/dbraw/zinc/45/75/25/969457525.db2.gz RVEPCOPZYSWLDM-XYYAHUGASA-N 2 1 249.333 1.936 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169142176 969457550 /nfs/dbraw/zinc/45/75/50/969457550.db2.gz AJBVOQUIMZROFI-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142176 969457558 /nfs/dbraw/zinc/45/75/58/969457558.db2.gz AJBVOQUIMZROFI-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142176 969457565 /nfs/dbraw/zinc/45/75/65/969457565.db2.gz AJBVOQUIMZROFI-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142176 969457573 /nfs/dbraw/zinc/45/75/73/969457573.db2.gz AJBVOQUIMZROFI-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@@H](O)CC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142176 969457578 /nfs/dbraw/zinc/45/75/78/969457578.db2.gz AJBVOQUIMZROFI-RGDJUOJXSA-N 2 1 238.375 1.457 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+](CCC(C)(C)OC)C[C@@H]2C1 ZINC001209409677 969475877 /nfs/dbraw/zinc/47/58/77/969475877.db2.gz SJKQKMKLNPLHIH-BETUJISGSA-N 2 1 240.391 1.685 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+](CCC(C)(C)OC)C[C@@H]2C1 ZINC001209409677 969475883 /nfs/dbraw/zinc/47/58/83/969475883.db2.gz SJKQKMKLNPLHIH-BETUJISGSA-N 2 1 240.391 1.685 20 0 BDADMP CCN1CCC([NH2+]CC2(F)CCOCC2)CC1 ZINC001169224181 969493204 /nfs/dbraw/zinc/49/32/04/969493204.db2.gz BPXHATDACWKSFM-UHFFFAOYSA-N 2 1 244.354 1.579 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001169264546 969517996 /nfs/dbraw/zinc/51/79/96/969517996.db2.gz HPIQVMCFRUHXKJ-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001169264546 969518005 /nfs/dbraw/zinc/51/80/05/969518005.db2.gz HPIQVMCFRUHXKJ-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP CN(CCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001209449089 969519462 /nfs/dbraw/zinc/51/94/62/969519462.db2.gz RMLWLVOURFQVII-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001169263724 969520578 /nfs/dbraw/zinc/52/05/78/969520578.db2.gz ADPWAUUINIYYJS-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001169263724 969520580 /nfs/dbraw/zinc/52/05/80/969520580.db2.gz ADPWAUUINIYYJS-CYBMUJFWSA-N 2 1 240.391 1.706 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](OC)C2)CC1 ZINC001169244135 969529727 /nfs/dbraw/zinc/52/97/27/969529727.db2.gz COHQVQFNUXSJKR-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](OC)C2)CC1 ZINC001169244135 969529737 /nfs/dbraw/zinc/52/97/37/969529737.db2.gz COHQVQFNUXSJKR-CYBMUJFWSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001254183714 969536514 /nfs/dbraw/zinc/53/65/14/969536514.db2.gz DMAREIZCVVDYHT-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CCN1CCC([N@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001169246092 969536624 /nfs/dbraw/zinc/53/66/24/969536624.db2.gz OXIXTMXAALKFPF-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001169246092 969536628 /nfs/dbraw/zinc/53/66/28/969536628.db2.gz OXIXTMXAALKFPF-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001169246092 969536632 /nfs/dbraw/zinc/53/66/32/969536632.db2.gz OXIXTMXAALKFPF-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP Nc1cc[nH+]cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001209727122 969579112 /nfs/dbraw/zinc/57/91/12/969579112.db2.gz JSQKGHZWFYMNGF-QWRGUYRKSA-N 2 1 217.316 1.726 20 0 BDADMP CC1(C)[C@@H]2C[N@@H+](Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209730644 969585182 /nfs/dbraw/zinc/58/51/82/969585182.db2.gz HLJSJBFLEXVQDC-PHIMTYICSA-N 2 1 217.316 1.582 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209730644 969585184 /nfs/dbraw/zinc/58/51/84/969585184.db2.gz HLJSJBFLEXVQDC-PHIMTYICSA-N 2 1 217.316 1.582 20 0 BDADMP Nc1ccncc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001209729404 969585413 /nfs/dbraw/zinc/58/54/13/969585413.db2.gz KDZFXFOECGCYDR-SCZZXKLOSA-N 2 1 239.269 1.581 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001209729404 969585419 /nfs/dbraw/zinc/58/54/19/969585419.db2.gz KDZFXFOECGCYDR-SCZZXKLOSA-N 2 1 239.269 1.581 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001209729404 969585423 /nfs/dbraw/zinc/58/54/23/969585423.db2.gz KDZFXFOECGCYDR-SCZZXKLOSA-N 2 1 239.269 1.581 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001209729203 969587498 /nfs/dbraw/zinc/58/74/98/969587498.db2.gz HPSSISJWDYWOLH-ZDUSSCGKSA-N 2 1 233.315 1.249 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001209729203 969587509 /nfs/dbraw/zinc/58/75/09/969587509.db2.gz HPSSISJWDYWOLH-ZDUSSCGKSA-N 2 1 233.315 1.249 20 0 BDADMP Nc1ccncc1C[N@H+]1CCC[C@]12CCOC2 ZINC001209736561 969599901 /nfs/dbraw/zinc/59/99/01/969599901.db2.gz FKWIKJZBGUDVMN-CYBMUJFWSA-N 2 1 233.315 1.249 20 0 BDADMP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001209736561 969599909 /nfs/dbraw/zinc/59/99/09/969599909.db2.gz FKWIKJZBGUDVMN-CYBMUJFWSA-N 2 1 233.315 1.249 20 0 BDADMP Nc1cc[nH+]cc1C[N@H+]1CCC[C@]12CCOC2 ZINC001209736561 969599916 /nfs/dbraw/zinc/59/99/16/969599916.db2.gz FKWIKJZBGUDVMN-CYBMUJFWSA-N 2 1 233.315 1.249 20 0 BDADMP CN([C@H]1CCC[N@@H+](C)CC1)C(C)(C)C[NH3+] ZINC001254506622 969650586 /nfs/dbraw/zinc/65/05/86/969650586.db2.gz VQLXUMMQALXRRP-NSHDSACASA-N 2 1 213.369 1.140 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CC1 ZINC001254498416 969659533 /nfs/dbraw/zinc/65/95/33/969659533.db2.gz ZRWJFYATCSZFOX-IHRRRGAJSA-N 2 1 240.391 1.754 20 0 BDADMP COCC(C)(C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254500121 969663322 /nfs/dbraw/zinc/66/33/22/969663322.db2.gz FMMPVMUKYRWCQD-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CCCC[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254505065 969671306 /nfs/dbraw/zinc/67/13/06/969671306.db2.gz YRLGNSHBFQEMPL-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP CCCC[C@H](CO)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254505064 969674195 /nfs/dbraw/zinc/67/41/95/969674195.db2.gz YRLGNSHBFQEMPL-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H](CO)CC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254510513 969677309 /nfs/dbraw/zinc/67/73/09/969677309.db2.gz XFPCNMNVRFNACB-NEPJUHHUSA-N 2 1 214.353 1.079 20 0 BDADMP C[C@@H]1COCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254515676 969681614 /nfs/dbraw/zinc/68/16/14/969681614.db2.gz AQCCMOCDRRFTBB-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1COCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254515676 969681626 /nfs/dbraw/zinc/68/16/26/969681626.db2.gz AQCCMOCDRRFTBB-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1COCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515676 969681636 /nfs/dbraw/zinc/68/16/36/969681636.db2.gz AQCCMOCDRRFTBB-QWHCGFSZSA-N 2 1 226.364 1.439 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC001254511716 969682569 /nfs/dbraw/zinc/68/25/69/969682569.db2.gz DEXSFEQJWKHGPF-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](O)CC2)CC1 ZINC001254516463 969686828 /nfs/dbraw/zinc/68/68/28/969686828.db2.gz MPMTZMSEJRHHLA-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001254516463 969686833 /nfs/dbraw/zinc/68/68/33/969686833.db2.gz MPMTZMSEJRHHLA-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](O)CC2)CC1 ZINC001254516463 969686840 /nfs/dbraw/zinc/68/68/40/969686840.db2.gz MPMTZMSEJRHHLA-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](CCO)C2)CC1 ZINC001254524278 969710715 /nfs/dbraw/zinc/71/07/15/969710715.db2.gz AGABBFWKWYZNQF-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC001254524278 969710726 /nfs/dbraw/zinc/71/07/26/969710726.db2.gz AGABBFWKWYZNQF-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](CCO)C2)CC1 ZINC001254524278 969710731 /nfs/dbraw/zinc/71/07/31/969710731.db2.gz AGABBFWKWYZNQF-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[NH+]3CCC2CC3)CC1 ZINC001254525429 969720672 /nfs/dbraw/zinc/72/06/72/969720672.db2.gz IGTHRXMTFCJQEX-CYBMUJFWSA-N 2 1 237.391 1.251 20 0 BDADMP CCN(C1C[NH+](C)C1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254867832 969813775 /nfs/dbraw/zinc/81/37/75/969813775.db2.gz MBSASHJGMNELOO-ZDUSSCGKSA-N 2 1 237.391 1.107 20 0 BDADMP [NH3+]CCc1c[nH+]cn1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254914292 969818132 /nfs/dbraw/zinc/81/81/32/969818132.db2.gz KXPNNZZVRHDIDN-NXEZZACHSA-N 2 1 233.315 1.315 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254921670 969822217 /nfs/dbraw/zinc/82/22/17/969822217.db2.gz FGUXLXSOQWHDNP-GDNZZTSVSA-N 2 1 247.342 1.623 20 0 BDADMP CCC[N@@H+](CCC[NH+](C)C)C1CCOCC1 ZINC001255047293 969867029 /nfs/dbraw/zinc/86/70/29/969867029.db2.gz MJOJYTFMKZXSHV-UHFFFAOYSA-N 2 1 228.380 1.829 20 0 BDADMP c1cn2c([nH+]1)CC[N@H+](C1CCSCC1)CC2 ZINC001255094073 969931150 /nfs/dbraw/zinc/93/11/50/969931150.db2.gz NRDKRFFPENXDHA-UHFFFAOYSA-N 2 1 237.372 1.637 20 0 BDADMP c1cn2c([nH+]1)CC[N@@H+](C1CCSCC1)CC2 ZINC001255094073 969931153 /nfs/dbraw/zinc/93/11/53/969931153.db2.gz NRDKRFFPENXDHA-UHFFFAOYSA-N 2 1 237.372 1.637 20 0 BDADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCSC1 ZINC001255268872 970019377 /nfs/dbraw/zinc/01/93/77/970019377.db2.gz RGUZTWMMGXNSBY-SECBINFHSA-N 2 1 211.334 1.371 20 0 BDADMP Cc1[nH+]c(N)ccc1CNc1cccc(N)[nH+]1 ZINC001156975061 970040701 /nfs/dbraw/zinc/04/07/01/970040701.db2.gz YGQHHLIRORIRJW-UHFFFAOYSA-N 2 1 229.287 1.562 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCSC1 ZINC001255295185 970061087 /nfs/dbraw/zinc/06/10/87/970061087.db2.gz VQGZAEWFBOTICZ-NSHDSACASA-N 2 1 216.394 1.766 20 0 BDADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001255337111 970120196 /nfs/dbraw/zinc/12/01/96/970120196.db2.gz AEWPWFUJNRHGOT-MNOVXSKESA-N 2 1 242.363 1.435 20 0 BDADMP CN1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001255438847 970169737 /nfs/dbraw/zinc/16/97/37/970169737.db2.gz PCUJHYSUAUJQDG-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@H]([NH3+])c1ccn([C@H]2CCC[N@@H+](C)C2)n1 ZINC001255471834 970195303 /nfs/dbraw/zinc/19/53/03/970195303.db2.gz HUYBLKQSSORFEY-UWVGGRQHSA-N 2 1 208.309 1.170 20 0 BDADMP C[N@H+]1CCC[C@H](Nc2cccc(C[NH3+])c2)C1 ZINC001255470689 970197684 /nfs/dbraw/zinc/19/76/84/970197684.db2.gz NSCKHWFVHCRKKK-ZDUSSCGKSA-N 2 1 219.332 1.651 20 0 BDADMP C[NH+](C)CCC(C)(C)N[C@@H]1CCC[N@H+](C)C1 ZINC001255472043 970200268 /nfs/dbraw/zinc/20/02/68/970200268.db2.gz MFTDMLFFTWETSX-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP C[NH+](C)CCC(C)(C)N[C@@H]1CCC[N@@H+](C)C1 ZINC001255472043 970200276 /nfs/dbraw/zinc/20/02/76/970200276.db2.gz MFTDMLFFTWETSX-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP CC(C)N([C@H]1CCC[N@@H+](C)C1)C(C)(C)C[NH3+] ZINC001255479482 970209408 /nfs/dbraw/zinc/20/94/08/970209408.db2.gz IWNYAPWUKICSFV-LBPRGKRZSA-N 2 1 227.396 1.528 20 0 BDADMP CC[N@H+]1CCCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001255480964 970216213 /nfs/dbraw/zinc/21/62/13/970216213.db2.gz NAEKXVXTWYHIKX-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CCCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001255480964 970216220 /nfs/dbraw/zinc/21/62/20/970216220.db2.gz NAEKXVXTWYHIKX-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[NH+]1CCCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001255480964 970216228 /nfs/dbraw/zinc/21/62/28/970216228.db2.gz NAEKXVXTWYHIKX-CYBMUJFWSA-N 2 1 225.380 1.108 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CCC[NH+](C)C2)C(C)(C)C1 ZINC001255494016 970248711 /nfs/dbraw/zinc/24/87/11/970248711.db2.gz JEBGKIPAOICABP-CYBMUJFWSA-N 2 1 239.407 1.497 20 0 BDADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](C)C1 ZINC001170106125 970305520 /nfs/dbraw/zinc/30/55/20/970305520.db2.gz ULNXHZOQKPXXFR-SDDRHHMPSA-N 2 1 242.363 1.435 20 0 BDADMP COCC[N@@H+](C)Cc1ccnc(C2=CC[NH2+]C2)c1 ZINC001243108117 970341954 /nfs/dbraw/zinc/34/19/54/970341954.db2.gz MJRYVEHKYIOCOO-UHFFFAOYSA-N 2 1 247.342 1.146 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC001170119275 970345383 /nfs/dbraw/zinc/34/53/83/970345383.db2.gz XBYZERAKYPOLLO-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@H](C)[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001255582990 970387005 /nfs/dbraw/zinc/38/70/05/970387005.db2.gz GMXSDQIUXLMDHH-QJPTWQEYSA-N 2 1 212.337 1.047 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001255943841 970577191 /nfs/dbraw/zinc/57/71/91/970577191.db2.gz QDCOEIRBFYMMIG-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001255955568 970586995 /nfs/dbraw/zinc/58/69/95/970586995.db2.gz BTLCRPHLEGCEBO-MGPQQGTHSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC2(COC2)C1 ZINC001255956072 970596137 /nfs/dbraw/zinc/59/61/37/970596137.db2.gz GQNBHQXRNADJIH-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CCO1 ZINC001170202308 970597415 /nfs/dbraw/zinc/59/74/15/970597415.db2.gz GBOGTNHMQWWHTI-VXGBXAGGSA-N 2 1 237.347 1.905 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](CO)C1 ZINC001255960549 970601163 /nfs/dbraw/zinc/60/11/63/970601163.db2.gz IKIXHNNCCCODGK-OLZOCXBDSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076198 970646113 /nfs/dbraw/zinc/64/61/13/970646113.db2.gz WDPVZMHLTHXBLF-NSHDSACASA-N 2 1 208.349 1.955 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076198 970646120 /nfs/dbraw/zinc/64/61/20/970646120.db2.gz WDPVZMHLTHXBLF-NSHDSACASA-N 2 1 208.349 1.955 20 0 BDADMP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@H]1O ZINC001256203214 970700366 /nfs/dbraw/zinc/70/03/66/970700366.db2.gz TVEAKOPDXGHCPP-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@H]1O ZINC001256203214 970700373 /nfs/dbraw/zinc/70/03/73/970700373.db2.gz TVEAKOPDXGHCPP-WCQYABFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001256203224 970706530 /nfs/dbraw/zinc/70/65/30/970706530.db2.gz UFYWMNWDKUCISA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001256203224 970706541 /nfs/dbraw/zinc/70/65/41/970706541.db2.gz UFYWMNWDKUCISA-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC([NH+]2CCC(n3cccn3)CC2)CC1 ZINC001256208416 970711093 /nfs/dbraw/zinc/71/10/93/970711093.db2.gz ITZIKXWMKKJANF-UHFFFAOYSA-N 2 1 248.374 1.614 20 0 BDADMP CN1CCC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001256207917 970714751 /nfs/dbraw/zinc/71/47/51/970714751.db2.gz YUWJWNKPXLKNGL-CYBMUJFWSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001256207917 970714756 /nfs/dbraw/zinc/71/47/56/970714756.db2.gz YUWJWNKPXLKNGL-CYBMUJFWSA-N 2 1 245.370 1.965 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001256207917 970714771 /nfs/dbraw/zinc/71/47/71/970714771.db2.gz YUWJWNKPXLKNGL-CYBMUJFWSA-N 2 1 245.370 1.965 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246545170 972624104 /nfs/dbraw/zinc/62/41/04/972624104.db2.gz UJEFCPIINPUPMV-RKQHYHRCSA-N 2 1 237.391 1.423 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CCO1 ZINC001246547434 972672388 /nfs/dbraw/zinc/67/23/88/972672388.db2.gz PQABBCIVICXZBW-NEPJUHHUSA-N 2 1 226.364 1.757 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547945 972689444 /nfs/dbraw/zinc/68/94/44/972689444.db2.gz DKHKXOGJPVOBOT-ZOBORPQBSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246547945 972689449 /nfs/dbraw/zinc/68/94/49/972689449.db2.gz DKHKXOGJPVOBOT-ZOBORPQBSA-N 3 1 237.391 1.473 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)C1 ZINC001246558382 972781156 /nfs/dbraw/zinc/78/11/56/972781156.db2.gz LFDVAULTUBDDND-WUHRBBMRSA-N 2 1 240.391 1.595 20 0 BDADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246560748 972791176 /nfs/dbraw/zinc/79/11/76/972791176.db2.gz SWQVAIVRGVJQGO-BPLDGKMQSA-N 2 1 248.370 1.320 20 0 BDADMP C[C@H]1C[N@H+](C2CC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001246570763 972845259 /nfs/dbraw/zinc/84/52/59/972845259.db2.gz VJOFQHFFTRSHNG-RYUDHWBXSA-N 3 1 225.380 1.045 20 0 BDADMP CN(CC[NH+](C)C)Cc1[nH+]cn2ccccc12 ZINC001144611466 972881023 /nfs/dbraw/zinc/88/10/23/972881023.db2.gz PLGJEJBZRFOMCF-UHFFFAOYSA-N 2 1 232.331 1.328 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CCSC2)CC1 ZINC001246577895 972893917 /nfs/dbraw/zinc/89/39/17/972893917.db2.gz QQTDZFMIVKABQH-RYUDHWBXSA-N 2 1 228.405 1.943 20 0 BDADMP CCCCCC[C@@H](CC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246579729 972915921 /nfs/dbraw/zinc/91/59/21/972915921.db2.gz GTCPLXZXBROAEL-MJBXVCDLSA-N 2 1 242.407 1.987 20 0 BDADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581954 972939859 /nfs/dbraw/zinc/93/98/59/972939859.db2.gz LRZIFFKFDJWGQI-OLZOCXBDSA-N 3 1 239.407 1.578 20 0 BDADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC001246581954 972939879 /nfs/dbraw/zinc/93/98/79/972939879.db2.gz LRZIFFKFDJWGQI-OLZOCXBDSA-N 3 1 239.407 1.578 20 0 BDADMP CCCCCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582472 972945434 /nfs/dbraw/zinc/94/54/34/972945434.db2.gz ZJIWXNJURGZAOU-AGIUHOORSA-N 2 1 228.380 1.597 20 0 BDADMP COc1ccccc1C[C@@H](C)[NH+]1CC(C)(C[NH3+])C1 ZINC001246602408 973027931 /nfs/dbraw/zinc/02/79/31/973027931.db2.gz XFABIDWUAPUHGN-GFCCVEGCSA-N 2 1 248.370 1.907 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246636125 973047886 /nfs/dbraw/zinc/04/78/86/973047886.db2.gz TXSNCEUPALNLGU-MQLXINIDSA-N 2 1 235.375 1.048 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246660276 973065678 /nfs/dbraw/zinc/06/56/78/973065678.db2.gz CTJYFWWDPXBBEW-XVIXHAIJSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246660276 973065688 /nfs/dbraw/zinc/06/56/88/973065688.db2.gz CTJYFWWDPXBBEW-XVIXHAIJSA-N 3 1 237.391 1.329 20 0 BDADMP CC[C@H]1C[N@H+](C2CCC([NH2+]C)CC2)CCN1 ZINC001246801711 973100676 /nfs/dbraw/zinc/10/06/76/973100676.db2.gz INHDOPYPPLXFKA-HIFPTAJRSA-N 2 1 225.380 1.201 20 0 BDADMP CC[C@H]1CN(C2CCC([NH2+]C)CC2)CC[NH2+]1 ZINC001246801711 973100694 /nfs/dbraw/zinc/10/06/94/973100694.db2.gz INHDOPYPPLXFKA-HIFPTAJRSA-N 2 1 225.380 1.201 20 0 BDADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)[C@@H]1C ZINC001246825096 973120760 /nfs/dbraw/zinc/12/07/60/973120760.db2.gz UCJVQJKUDVHCJW-PWSUYJOCSA-N 2 1 240.347 1.012 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852777 973158400 /nfs/dbraw/zinc/15/84/00/973158400.db2.gz KPBQDLGEFMCYDL-HPCHECBXSA-N 3 1 235.375 1.083 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852777 973158416 /nfs/dbraw/zinc/15/84/16/973158416.db2.gz KPBQDLGEFMCYDL-HPCHECBXSA-N 3 1 235.375 1.083 20 0 BDADMP CCOC1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246860589 973183054 /nfs/dbraw/zinc/18/30/54/973183054.db2.gz NHAGWQIEPHKEEN-RYSNWHEDSA-N 2 1 238.375 1.757 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCc3ccc(N)cc3C2)CC[NH2+]1 ZINC001246905449 973386292 /nfs/dbraw/zinc/38/62/92/973386292.db2.gz MJJXOBFVMVQHFO-NHYWBVRUSA-N 2 1 245.370 1.767 20 0 BDADMP Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000321450390 973626398 /nfs/dbraw/zinc/62/63/98/973626398.db2.gz CWCYTGMFMWERBF-UHFFFAOYSA-N 2 1 248.374 1.533 20 0 BDADMP CC(C)[N@H+]1CCN([C@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC001246977590 973715106 /nfs/dbraw/zinc/71/51/06/973715106.db2.gz DYMPVEDJQFRBAZ-RDBSUJKOSA-N 2 1 239.407 1.541 20 0 BDADMP CC[NH+]1C[C@@H]2CN([C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]2C1 ZINC001246980688 973727210 /nfs/dbraw/zinc/72/72/10/973727210.db2.gz RQUDCGUBTPFJRG-REWJHTLYSA-N 2 1 237.391 1.010 20 0 BDADMP C1[NH2+]C[C@H]2C[C@H]([N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]12 ZINC001247011803 973797217 /nfs/dbraw/zinc/79/72/17/973797217.db2.gz BTEMSCLBTGCBAM-VQJWOFKYSA-N 3 1 249.402 1.058 20 0 BDADMP C1[NH2+]C[C@H]2C[C@H]([N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@@H]12 ZINC001247011803 973797222 /nfs/dbraw/zinc/79/72/22/973797222.db2.gz BTEMSCLBTGCBAM-VQJWOFKYSA-N 3 1 249.402 1.058 20 0 BDADMP COc1[nH+]ccc(NC[C@H]2CCCC[NH2+]2)c1N ZINC001171329573 973829269 /nfs/dbraw/zinc/82/92/69/973829269.db2.gz KXLKQELIIFODDU-SECBINFHSA-N 2 1 236.319 1.226 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCC(C)C ZINC001148654987 973874481 /nfs/dbraw/zinc/87/44/81/973874481.db2.gz DKCFGSXPGYGDCX-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP C[N@@H+]1CCCC[C@@H]1CO[C@@H]1CCc2[nH+]ccn2C1 ZINC001224707721 973878552 /nfs/dbraw/zinc/87/85/52/973878552.db2.gz SLJFLFWEPNLJJT-CHWSQXEVSA-N 2 1 249.358 1.699 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CO[C@@H]1CCc2[nH+]ccn2C1 ZINC001224707721 973878556 /nfs/dbraw/zinc/87/85/56/973878556.db2.gz SLJFLFWEPNLJJT-CHWSQXEVSA-N 2 1 249.358 1.699 20 0 BDADMP CC[N@H+]1CC[C@H](OCCC[NH+]2CCCC2)C1 ZINC001224743605 973903684 /nfs/dbraw/zinc/90/36/84/973903684.db2.gz CQJBSXCGXDQVQO-ZDUSSCGKSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@@H](O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554453 974099813 /nfs/dbraw/zinc/09/98/13/974099813.db2.gz HQABXWHPJAEYAI-QWHCGFSZSA-N 2 1 249.358 1.363 20 0 BDADMP CC[N@H+]1CC[C@H](OCCCC[NH+](C)C)C1 ZINC001224992695 974123228 /nfs/dbraw/zinc/12/32/28/974123228.db2.gz SBNQBCUUFOEEDS-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP C[C@H]1C[C@H](NOCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171726599 974139645 /nfs/dbraw/zinc/13/96/45/974139645.db2.gz YOELVLBONYBIDD-JSGCOSHPSA-N 2 1 249.358 1.129 20 0 BDADMP N[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1F ZINC001206153249 974254928 /nfs/dbraw/zinc/25/49/28/974254928.db2.gz CJMQIIZDJKJLEQ-RWMBFGLXSA-N 2 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1F ZINC001206153249 974254937 /nfs/dbraw/zinc/25/49/37/974254937.db2.gz CJMQIIZDJKJLEQ-RWMBFGLXSA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)CC[C@H]1F ZINC001206154175 974316722 /nfs/dbraw/zinc/31/67/22/974316722.db2.gz HFWPBEUANYMFMO-OLZOCXBDSA-N 2 1 222.307 1.948 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)CC[C@H]1F ZINC001206154175 974316731 /nfs/dbraw/zinc/31/67/31/974316731.db2.gz HFWPBEUANYMFMO-OLZOCXBDSA-N 2 1 222.307 1.948 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCCC2)CC[C@@H]1F ZINC001206156020 974337933 /nfs/dbraw/zinc/33/79/33/974337933.db2.gz OHMDUISHXXKTER-NWDGAFQWSA-N 2 1 214.328 1.938 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCCC2)CC[C@@H]1F ZINC001206156020 974337940 /nfs/dbraw/zinc/33/79/40/974337940.db2.gz OHMDUISHXXKTER-NWDGAFQWSA-N 2 1 214.328 1.938 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001172101220 974338093 /nfs/dbraw/zinc/33/80/93/974338093.db2.gz XMOGIGHTEZJDMC-QSLWVIQJSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](O)C1)C2 ZINC001172101220 974338101 /nfs/dbraw/zinc/33/81/01/974338101.db2.gz XMOGIGHTEZJDMC-QSLWVIQJSA-N 2 1 238.375 1.505 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOC1)C2 ZINC001172100954 974343636 /nfs/dbraw/zinc/34/36/36/974343636.db2.gz VBTQXVWHYLTFEP-LPWJVIDDSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOC1)C2 ZINC001172100954 974343644 /nfs/dbraw/zinc/34/36/44/974343644.db2.gz VBTQXVWHYLTFEP-LPWJVIDDSA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100069 974346034 /nfs/dbraw/zinc/34/60/34/974346034.db2.gz MJGGDWDNFPIDTL-ZDEQEGDKSA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100069 974346043 /nfs/dbraw/zinc/34/60/43/974346043.db2.gz MJGGDWDNFPIDTL-ZDEQEGDKSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126882 974349649 /nfs/dbraw/zinc/34/96/49/974349649.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126882 974349657 /nfs/dbraw/zinc/34/96/57/974349657.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP C[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126882 974349668 /nfs/dbraw/zinc/34/96/68/974349668.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126882 974349677 /nfs/dbraw/zinc/34/96/77/974349677.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126882 974349688 /nfs/dbraw/zinc/34/96/88/974349688.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126882 974349693 /nfs/dbraw/zinc/34/96/93/974349693.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP CN1C[C@@H]2C[C@H]1C[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126882 974349703 /nfs/dbraw/zinc/34/97/03/974349703.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 2 1 249.402 1.390 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172101797 974360746 /nfs/dbraw/zinc/36/07/46/974360746.db2.gz BFQQHDWOFMKXMW-ZAEXQNMVSA-N 2 1 238.375 1.769 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172101797 974360757 /nfs/dbraw/zinc/36/07/57/974360757.db2.gz BFQQHDWOFMKXMW-ZAEXQNMVSA-N 2 1 238.375 1.769 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccncn1)C2 ZINC001172101814 974363124 /nfs/dbraw/zinc/36/31/24/974363124.db2.gz BLIQTRPQHIPAEI-ZSOGYDGISA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccncn1)C2 ZINC001172101814 974363129 /nfs/dbraw/zinc/36/31/29/974363129.db2.gz BLIQTRPQHIPAEI-ZSOGYDGISA-N 2 1 246.358 1.582 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)C2 ZINC001172106198 974366477 /nfs/dbraw/zinc/36/64/77/974366477.db2.gz NKLGYSNDRFPFJO-KLLCGCCRSA-N 2 1 238.375 1.362 20 0 BDADMP C[C@@H](O)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113025 974373255 /nfs/dbraw/zinc/37/32/55/974373255.db2.gz DYTNPJGCWHQILX-FVCCEPFGSA-N 2 1 226.364 1.362 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnco1)C2 ZINC001172108395 974374090 /nfs/dbraw/zinc/37/40/90/974374090.db2.gz WCEBLTHOTANBJN-ZSBIGDGJSA-N 2 1 235.331 1.780 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnco1)C2 ZINC001172108395 974374101 /nfs/dbraw/zinc/37/41/01/974374101.db2.gz WCEBLTHOTANBJN-ZSBIGDGJSA-N 2 1 235.331 1.780 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112281 974377664 /nfs/dbraw/zinc/37/76/64/974377664.db2.gz VMNIDFGFNDVIIS-ZDEQEGDKSA-N 2 1 226.364 1.626 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCOCC1)C2 ZINC001172114993 974378346 /nfs/dbraw/zinc/37/83/46/974378346.db2.gz TUIVNDFKZFZABD-WDNDVIMCSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCOCC1)C2 ZINC001172114993 974378355 /nfs/dbraw/zinc/37/83/55/974378355.db2.gz TUIVNDFKZFZABD-WDNDVIMCSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCOCC1)C2 ZINC001172114993 974378363 /nfs/dbraw/zinc/37/83/63/974378363.db2.gz TUIVNDFKZFZABD-WDNDVIMCSA-N 2 1 238.375 1.724 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCOCC1)C2 ZINC001172114993 974378369 /nfs/dbraw/zinc/37/83/69/974378369.db2.gz TUIVNDFKZFZABD-WDNDVIMCSA-N 2 1 238.375 1.724 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)C1CC1)C2 ZINC001172115909 974381701 /nfs/dbraw/zinc/38/17/01/974381701.db2.gz WBZIMDXADPNSOR-XJFOESAGSA-N 2 1 238.375 1.362 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116866 974385902 /nfs/dbraw/zinc/38/59/02/974385902.db2.gz DMSXHZHQTIHLJY-CKIKVBCHSA-N 2 1 242.338 1.016 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116866 974385909 /nfs/dbraw/zinc/38/59/09/974385909.db2.gz DMSXHZHQTIHLJY-CKIKVBCHSA-N 2 1 242.338 1.016 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116866 974385922 /nfs/dbraw/zinc/38/59/22/974385922.db2.gz DMSXHZHQTIHLJY-CKIKVBCHSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116866 974385934 /nfs/dbraw/zinc/38/59/34/974385934.db2.gz DMSXHZHQTIHLJY-CKIKVBCHSA-N 2 1 242.338 1.016 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001172116866 974385939 /nfs/dbraw/zinc/38/59/39/974385939.db2.gz DMSXHZHQTIHLJY-CKIKVBCHSA-N 2 1 242.338 1.016 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](CO)C1)C2 ZINC001172120929 974392930 /nfs/dbraw/zinc/39/29/30/974392930.db2.gz HVWTWGGJDWBKEO-FQUUOJAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](CO)C1)C2 ZINC001172120929 974392942 /nfs/dbraw/zinc/39/29/42/974392942.db2.gz HVWTWGGJDWBKEO-FQUUOJAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](CO)C1)C2 ZINC001172120929 974392951 /nfs/dbraw/zinc/39/29/51/974392951.db2.gz HVWTWGGJDWBKEO-FQUUOJAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](CO)C1)C2 ZINC001172120929 974392963 /nfs/dbraw/zinc/39/29/63/974392963.db2.gz HVWTWGGJDWBKEO-FQUUOJAGSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](CO)C1)C2 ZINC001172120930 974393436 /nfs/dbraw/zinc/39/34/36/974393436.db2.gz HVWTWGGJDWBKEO-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](CO)C1)C2 ZINC001172120930 974393440 /nfs/dbraw/zinc/39/34/40/974393440.db2.gz HVWTWGGJDWBKEO-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](CO)C1)C2 ZINC001172120930 974393453 /nfs/dbraw/zinc/39/34/53/974393453.db2.gz HVWTWGGJDWBKEO-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](CO)C1)C2 ZINC001172120930 974393461 /nfs/dbraw/zinc/39/34/61/974393461.db2.gz HVWTWGGJDWBKEO-IGQOVBAYSA-N 2 1 238.375 1.316 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)[nH]1 ZINC001206163883 974514582 /nfs/dbraw/zinc/51/45/82/974514582.db2.gz HBCHXEUUOMYQEE-VXGBXAGGSA-N 2 1 239.338 1.893 20 0 BDADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001172252227 974514674 /nfs/dbraw/zinc/51/46/74/974514674.db2.gz JIKYAIXHOKSXBF-BETUJISGSA-N 2 1 238.375 1.439 20 0 BDADMP COCCC[NH+]1CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001172252227 974514680 /nfs/dbraw/zinc/51/46/80/974514680.db2.gz JIKYAIXHOKSXBF-BETUJISGSA-N 2 1 238.375 1.439 20 0 BDADMP CC[C@@H](C)OCC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001172321527 974529802 /nfs/dbraw/zinc/52/98/02/974529802.db2.gz LDDFCIZUYYCGDD-WDEREUQCSA-N 2 1 216.369 1.907 20 0 BDADMP CCOCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172422314 974697307 /nfs/dbraw/zinc/69/73/07/974697307.db2.gz ZDSZDSCNJKUCLO-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172433278 974718497 /nfs/dbraw/zinc/71/84/97/974718497.db2.gz OJNWUAHFAQQYSP-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP CCOCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172433278 974718502 /nfs/dbraw/zinc/71/85/02/974718502.db2.gz OJNWUAHFAQQYSP-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP CCOCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172433278 974718507 /nfs/dbraw/zinc/71/85/07/974718507.db2.gz OJNWUAHFAQQYSP-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCc2c1cccc2F ZINC001331513335 974745891 /nfs/dbraw/zinc/74/58/91/974745891.db2.gz CALXSQGCZSHMCV-TVQRCGJNSA-N 2 1 238.306 1.064 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206165556 974875635 /nfs/dbraw/zinc/87/56/35/974875635.db2.gz OANWUIQGHXVKNB-RYUDHWBXSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206165556 974875638 /nfs/dbraw/zinc/87/56/38/974875638.db2.gz OANWUIQGHXVKNB-RYUDHWBXSA-N 2 1 237.322 1.651 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001172919804 974968293 /nfs/dbraw/zinc/96/82/93/974968293.db2.gz XETWWWIVGIWJSN-VHSXEESVSA-N 2 1 200.326 1.271 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC001173174368 975054959 /nfs/dbraw/zinc/05/49/59/975054959.db2.gz SDWMYLZXZGZXJN-MJBXVCDLSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC001173174368 975054968 /nfs/dbraw/zinc/05/49/68/975054968.db2.gz SDWMYLZXZGZXJN-MJBXVCDLSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC001173174368 975054975 /nfs/dbraw/zinc/05/49/75/975054975.db2.gz SDWMYLZXZGZXJN-MJBXVCDLSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001173170095 975062406 /nfs/dbraw/zinc/06/24/06/975062406.db2.gz XSROZSUXWIDVPT-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(F)n2)C12CCC2 ZINC001332422785 975108548 /nfs/dbraw/zinc/10/85/48/975108548.db2.gz YKSVSKFGSJFDEV-WDEREUQCSA-N 2 1 235.306 1.580 20 0 BDADMP CC[C@H]1CC[C@@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)C1 ZINC001173266530 975129957 /nfs/dbraw/zinc/12/99/57/975129957.db2.gz LYAVPAXODBMWBX-QJPTWQEYSA-N 2 1 242.363 1.435 20 0 BDADMP Cn1nc2c(c1C[NH2+]CCC[NH+]1CCC1)CCC2 ZINC001332781908 975281785 /nfs/dbraw/zinc/28/17/85/975281785.db2.gz BZKMRYGTZNEDOM-UHFFFAOYSA-N 2 1 248.374 1.094 20 0 BDADMP CC[N@H+]1CC[C@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001173349614 975290702 /nfs/dbraw/zinc/29/07/02/975290702.db2.gz BXJYWXUQPKQHFR-LBPRGKRZSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@H+]1CC[C@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001173349618 975292458 /nfs/dbraw/zinc/29/24/58/975292458.db2.gz BYGRCRITFYARLG-ZDUSSCGKSA-N 2 1 244.342 1.762 20 0 BDADMP CC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001173353642 975306758 /nfs/dbraw/zinc/30/67/58/975306758.db2.gz QAEZCBPUICXOON-KGLIPLIRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001173353642 975306761 /nfs/dbraw/zinc/30/67/61/975306761.db2.gz QAEZCBPUICXOON-KGLIPLIRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001173353642 975306764 /nfs/dbraw/zinc/30/67/64/975306764.db2.gz QAEZCBPUICXOON-KGLIPLIRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001173353642 975306768 /nfs/dbraw/zinc/30/67/68/975306768.db2.gz QAEZCBPUICXOON-KGLIPLIRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](Nc2ccc(C[NH2+]C)cc2)C1 ZINC001173359779 975327488 /nfs/dbraw/zinc/32/74/88/975327488.db2.gz ACNIMIKFFORYMY-AWEZNQCLSA-N 2 1 233.359 1.912 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC001173366099 975347033 /nfs/dbraw/zinc/34/70/33/975347033.db2.gz WKHNJRAMNNHFQD-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001173366099 975347042 /nfs/dbraw/zinc/34/70/42/975347042.db2.gz WKHNJRAMNNHFQD-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[NH+]1CC[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001173366099 975347050 /nfs/dbraw/zinc/34/70/50/975347050.db2.gz WKHNJRAMNNHFQD-IHRRRGAJSA-N 2 1 237.391 1.107 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ccc3c2CC[NH2+]C3)C1 ZINC001173366980 975352888 /nfs/dbraw/zinc/35/28/88/975352888.db2.gz CUTIXAZJYQNVOE-GFCCVEGCSA-N 2 1 219.332 1.401 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001173374707 975364438 /nfs/dbraw/zinc/36/44/38/975364438.db2.gz MKAPHSCIZHHPHA-AWEZNQCLSA-N 2 1 237.391 1.251 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001173437979 975372777 /nfs/dbraw/zinc/37/27/77/975372777.db2.gz VAKZMJSPHZSBCV-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001173437979 975372786 /nfs/dbraw/zinc/37/27/86/975372786.db2.gz VAKZMJSPHZSBCV-WDEREUQCSA-N 2 1 228.336 1.141 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC001333164011 975529518 /nfs/dbraw/zinc/52/95/18/975529518.db2.gz ZGZDMSOQPQRPBT-GHMZBOCLSA-N 2 1 214.353 1.613 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC001333164011 975529505 /nfs/dbraw/zinc/52/95/05/975529505.db2.gz ZGZDMSOQPQRPBT-GHMZBOCLSA-N 2 1 214.353 1.613 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001333623271 975897919 /nfs/dbraw/zinc/89/79/19/975897919.db2.gz YCOZTDIFYGCANM-KBPBESRZSA-N 2 1 238.375 1.489 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC001334982393 976813227 /nfs/dbraw/zinc/81/32/27/976813227.db2.gz ODCLHLSLFFHXFU-CYBMUJFWSA-N 2 1 248.374 1.198 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335350878 976989644 /nfs/dbraw/zinc/98/96/44/976989644.db2.gz LHPYEWRMZGMFLX-AAEUAGOBSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@H+]1CCC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508848 977229009 /nfs/dbraw/zinc/22/90/09/977229009.db2.gz XVHOBXBSVDUBQX-SNVBAGLBSA-N 2 1 246.314 1.618 20 0 BDADMP C[N@@H+]1CCC[C@@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230508848 977229020 /nfs/dbraw/zinc/22/90/20/977229020.db2.gz XVHOBXBSVDUBQX-SNVBAGLBSA-N 2 1 246.314 1.618 20 0 BDADMP C[N@H+]1CCC[C@@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230508848 977229024 /nfs/dbraw/zinc/22/90/24/977229024.db2.gz XVHOBXBSVDUBQX-SNVBAGLBSA-N 2 1 246.314 1.618 20 0 BDADMP Cc1[nH]c(CN(C)CC[N@H+](C)C2CC2)c(C)[nH+]1 ZINC001335815318 977302876 /nfs/dbraw/zinc/30/28/76/977302876.db2.gz QIGCYBQAUZNBSW-UHFFFAOYSA-N 2 1 236.363 1.553 20 0 BDADMP Cc1[nH]c(CN(C)CC[N@@H+](C)C2CC2)c(C)[nH+]1 ZINC001335815318 977302886 /nfs/dbraw/zinc/30/28/86/977302886.db2.gz QIGCYBQAUZNBSW-UHFFFAOYSA-N 2 1 236.363 1.553 20 0 BDADMP CC[C@H](CNc1nc(N)cc(C)[nH+]1)[NH+]1CCCC1 ZINC001336478846 977710987 /nfs/dbraw/zinc/71/09/87/977710987.db2.gz JEGPKGXGXXOULJ-LLVKDONJSA-N 2 1 249.362 1.654 20 0 BDADMP C[C@@H](CCNc1cc[nH+]c(N)n1)[NH+]1CCCCC1 ZINC001336577832 977790108 /nfs/dbraw/zinc/79/01/08/977790108.db2.gz QXBOLJCBFLOIKI-NSHDSACASA-N 2 1 249.362 1.735 20 0 BDADMP C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012219 977839523 /nfs/dbraw/zinc/83/95/23/977839523.db2.gz WHZWCKJULLIFPQ-GWCFXTLKSA-N 2 1 245.326 1.766 20 0 BDADMP OC[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011139 977840285 /nfs/dbraw/zinc/84/02/85/977840285.db2.gz HKSYBEVSKSQGRG-LLVKDONJSA-N 2 1 245.326 1.767 20 0 BDADMP CO[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011770 977840399 /nfs/dbraw/zinc/84/03/99/977840399.db2.gz OYNGTYHIKURUCF-LBPRGKRZSA-N 2 1 231.299 1.784 20 0 BDADMP CN(Cc1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC001232014576 977845313 /nfs/dbraw/zinc/84/53/13/977845313.db2.gz RBVYNRSGKGRUEU-CYBMUJFWSA-N 2 1 244.342 1.699 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cncc(O)c3)C[C@@H]2C1 ZINC001232042457 977866311 /nfs/dbraw/zinc/86/63/11/977866311.db2.gz VWGFOBIUEBKUPZ-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cncc(O)c3)C[C@@H]2C1 ZINC001232042457 977866317 /nfs/dbraw/zinc/86/63/17/977866317.db2.gz VWGFOBIUEBKUPZ-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cncc(O)c3)C[C@@H]2C1 ZINC001232042457 977866319 /nfs/dbraw/zinc/86/63/19/977866319.db2.gz VWGFOBIUEBKUPZ-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cncc(O)c3)C[C@@H]2C1 ZINC001232042457 977866323 /nfs/dbraw/zinc/86/63/23/977866323.db2.gz VWGFOBIUEBKUPZ-OLZOCXBDSA-N 2 1 247.342 1.171 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNc2nccnc2C[NH3+])C1 ZINC001337009086 978125262 /nfs/dbraw/zinc/12/52/62/978125262.db2.gz LTCJRNAIXWRFJT-NSHDSACASA-N 2 1 249.362 1.078 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000328202061 978207982 /nfs/dbraw/zinc/20/79/82/978207982.db2.gz SEEPTPOQGYXJDX-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000328202061 978207989 /nfs/dbraw/zinc/20/79/89/978207989.db2.gz SEEPTPOQGYXJDX-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000328202061 978208002 /nfs/dbraw/zinc/20/80/02/978208002.db2.gz SEEPTPOQGYXJDX-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000328202061 978208008 /nfs/dbraw/zinc/20/80/08/978208008.db2.gz SEEPTPOQGYXJDX-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000328202061 978208013 /nfs/dbraw/zinc/20/80/13/978208013.db2.gz SEEPTPOQGYXJDX-STQMWFEESA-N 2 1 225.380 1.012 20 0 BDADMP CC[N@H+]1CC[C@H](OCCC[NH+](C)C)C1 ZINC001206286699 978222293 /nfs/dbraw/zinc/22/22/93/978222293.db2.gz NFMYRMBCZJMEEZ-NSHDSACASA-N 2 1 200.326 1.049 20 0 BDADMP C[NH+](C)CCCO[C@@H]1CCC[N@@H+](C)C1 ZINC001206287641 978254347 /nfs/dbraw/zinc/25/43/47/978254347.db2.gz SLDWSUSWZKHXCV-LLVKDONJSA-N 2 1 200.326 1.049 20 0 BDADMP COCCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206293088 978296559 /nfs/dbraw/zinc/29/65/59/978296559.db2.gz GBTUENZPRZXLMA-CYBMUJFWSA-N 2 1 228.380 1.864 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC001206297507 978315201 /nfs/dbraw/zinc/31/52/01/978315201.db2.gz YTJRDHZEMUPKGW-KBPBESRZSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc(N)nc2)CC1 ZINC001206303129 978347769 /nfs/dbraw/zinc/34/77/69/978347769.db2.gz BMDIEVBZWMPHDM-CYBMUJFWSA-N 2 1 249.362 1.010 20 0 BDADMP Cn1nccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305102 978383537 /nfs/dbraw/zinc/38/35/37/978383537.db2.gz SYVJKWADUXTICH-ZDUSSCGKSA-N 2 1 236.363 1.371 20 0 BDADMP CC[N@H+]1CCC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206309166 978419838 /nfs/dbraw/zinc/41/98/38/978419838.db2.gz LSGONFIOLPKLBC-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP Cn1c[nH+]cc1N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001277769412 978472792 /nfs/dbraw/zinc/47/27/92/978472792.db2.gz BQEXRTPUHGPLFO-UHFFFAOYSA-N 2 1 246.358 1.627 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001233189170 978489103 /nfs/dbraw/zinc/48/91/03/978489103.db2.gz PHKOAEXCIFUZGC-UHFFFAOYSA-N 2 1 237.347 1.479 20 0 BDADMP Cc1c[nH]c(=O)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001233189170 978489106 /nfs/dbraw/zinc/48/91/06/978489106.db2.gz PHKOAEXCIFUZGC-UHFFFAOYSA-N 2 1 237.347 1.479 20 0 BDADMP Nc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC001338030390 978594123 /nfs/dbraw/zinc/59/41/23/978594123.db2.gz YOKKVIUGRULFAQ-MNOVXSKESA-N 2 1 247.346 1.488 20 0 BDADMP Nc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC001338030390 978594127 /nfs/dbraw/zinc/59/41/27/978594127.db2.gz YOKKVIUGRULFAQ-MNOVXSKESA-N 2 1 247.346 1.488 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+]CCc1c[nH+]cn1C ZINC001338474527 978689404 /nfs/dbraw/zinc/68/94/04/978689404.db2.gz MNQUWZIPVAXGGC-ZDUSSCGKSA-N 2 1 239.363 1.349 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000069860922 978765472 /nfs/dbraw/zinc/76/54/72/978765472.db2.gz IIVUJKWTLRGDEG-CHWSQXEVSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]cc2)CCCO1 ZINC001339458347 978855953 /nfs/dbraw/zinc/85/59/53/978855953.db2.gz IBDHJYIEEBIOQW-CYBMUJFWSA-N 2 1 249.358 1.416 20 0 BDADMP CCC[C@@H](C)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234981556 978942994 /nfs/dbraw/zinc/94/29/94/978942994.db2.gz OHGOMNOOOPYPHN-CHWSQXEVSA-N 2 1 225.380 1.060 20 0 BDADMP OCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235092060 978973955 /nfs/dbraw/zinc/97/39/55/978973955.db2.gz WOINGYPHNWILMS-NSHDSACASA-N 2 1 248.317 1.080 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001235156235 978982025 /nfs/dbraw/zinc/98/20/25/978982025.db2.gz NHQKHUSSZYMOCH-FRRDWIJNSA-N 2 1 206.333 1.766 20 0 BDADMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001235156235 978982028 /nfs/dbraw/zinc/98/20/28/978982028.db2.gz NHQKHUSSZYMOCH-FRRDWIJNSA-N 2 1 206.333 1.766 20 0 BDADMP C(C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1)C1CC[NH2+]CC1 ZINC001235209903 978997421 /nfs/dbraw/zinc/99/74/21/978997421.db2.gz UBBMPRDQPQQEFR-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1)C1CC[NH2+]CC1 ZINC001235209903 978997424 /nfs/dbraw/zinc/99/74/24/978997424.db2.gz UBBMPRDQPQQEFR-KGLIPLIRSA-N 3 1 237.391 1.060 20 0 BDADMP c1c[nH]c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)n1 ZINC001235231578 979001380 /nfs/dbraw/zinc/00/13/80/979001380.db2.gz ULOPNPIZUMLUPK-CYBMUJFWSA-N 2 1 248.374 1.764 20 0 BDADMP C[NH+](C)CCN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233410 979002242 /nfs/dbraw/zinc/00/22/42/979002242.db2.gz PPIQJVJEJVHMEX-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP OCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422217 979042863 /nfs/dbraw/zinc/04/28/63/979042863.db2.gz ADDZBJVROCPVJS-CHWSQXEVSA-N 2 1 226.364 1.080 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001235673412 979112274 /nfs/dbraw/zinc/11/22/74/979112274.db2.gz GCKHDQANESNWGL-CQSZACIVSA-N 2 1 234.343 1.879 20 0 BDADMP C[N@@H+](CCCC[NH3+])CCC1CC[NH2+]CC1 ZINC001235713753 979131914 /nfs/dbraw/zinc/13/19/14/979131914.db2.gz FPRDCYFCIKSLHV-UHFFFAOYSA-N 3 1 213.369 1.047 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001235811587 979159036 /nfs/dbraw/zinc/15/90/36/979159036.db2.gz SLIHKLVFWAVCEQ-SECBINFHSA-N 2 1 206.280 1.702 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@@H+]1C[C@H](N)Cc1ccccc1 ZINC001235905950 979196168 /nfs/dbraw/zinc/19/61/68/979196168.db2.gz UQQHKAMPBNAHAW-CFVMTHIKSA-N 2 1 248.370 1.402 20 0 BDADMP C[C@H]1C[C@@H](O)CC[N@H+]1C[C@H](N)Cc1ccccc1 ZINC001235905950 979196174 /nfs/dbraw/zinc/19/61/74/979196174.db2.gz UQQHKAMPBNAHAW-CFVMTHIKSA-N 2 1 248.370 1.402 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979613 979252141 /nfs/dbraw/zinc/25/21/41/979252141.db2.gz NSAATXPBAFLOMY-KGLIPLIRSA-N 3 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(CN2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235979613 979252155 /nfs/dbraw/zinc/25/21/55/979252155.db2.gz NSAATXPBAFLOMY-KGLIPLIRSA-N 2 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001235979613 979252166 /nfs/dbraw/zinc/25/21/66/979252166.db2.gz NSAATXPBAFLOMY-KGLIPLIRSA-N 2 1 237.391 1.141 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CC[C@]3(N)C2)CC1 ZINC001235979613 979252176 /nfs/dbraw/zinc/25/21/76/979252176.db2.gz NSAATXPBAFLOMY-KGLIPLIRSA-N 2 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979949 979253978 /nfs/dbraw/zinc/25/39/78/979253978.db2.gz OTYZCYZXWTVJLR-UONOGXRCSA-N 3 1 237.391 1.141 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235979949 979253991 /nfs/dbraw/zinc/25/39/91/979253991.db2.gz OTYZCYZXWTVJLR-UONOGXRCSA-N 3 1 237.391 1.141 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993616 979287964 /nfs/dbraw/zinc/28/79/64/979287964.db2.gz SICGSZDTOZNFRT-YIONKMFJSA-N 2 1 246.354 1.401 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996661 979291664 /nfs/dbraw/zinc/29/16/64/979291664.db2.gz YNJVMYRILMWBER-FZMZJTMJSA-N 2 1 242.326 1.486 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996661 979291680 /nfs/dbraw/zinc/29/16/80/979291680.db2.gz YNJVMYRILMWBER-FZMZJTMJSA-N 2 1 242.326 1.486 20 0 BDADMP C[C@@H]1C[C@H](N)C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001236043929 979335658 /nfs/dbraw/zinc/33/56/58/979335658.db2.gz GGUATBGBFSUROS-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001236071322 979358049 /nfs/dbraw/zinc/35/80/49/979358049.db2.gz JEDACMIHBSCBEI-ZDUSSCGKSA-N 2 1 235.331 1.194 20 0 BDADMP [NH3+]CCCC[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001236071322 979358059 /nfs/dbraw/zinc/35/80/59/979358059.db2.gz JEDACMIHBSCBEI-ZDUSSCGKSA-N 2 1 235.331 1.194 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001236170342 979426140 /nfs/dbraw/zinc/42/61/40/979426140.db2.gz VBUWMPMJOHPSBR-AWEZNQCLSA-N 2 1 216.328 1.434 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001236170342 979426147 /nfs/dbraw/zinc/42/61/47/979426147.db2.gz VBUWMPMJOHPSBR-AWEZNQCLSA-N 2 1 216.328 1.434 20 0 BDADMP CCC[C@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)CCN1 ZINC001236176811 979436190 /nfs/dbraw/zinc/43/61/90/979436190.db2.gz GWCRXTZVTXBVKD-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@H]1CN(CC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC001236176811 979436194 /nfs/dbraw/zinc/43/61/94/979436194.db2.gz GWCRXTZVTXBVKD-ZDUSSCGKSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001277979879 979441812 /nfs/dbraw/zinc/44/18/12/979441812.db2.gz RRTFKHHFOVNEJW-GFCCVEGCSA-N 2 1 243.395 1.173 20 0 BDADMP C[N@H+](CC1(C)CC[NH2+]CC1)[C@@]1(C)CCCNC1 ZINC001236199762 979445636 /nfs/dbraw/zinc/44/56/36/979445636.db2.gz FVZBFILIRBOZEP-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP C[N@@H+](CC1(C)CC[NH2+]CC1)[C@@]1(C)CCCNC1 ZINC001236199762 979445642 /nfs/dbraw/zinc/44/56/42/979445642.db2.gz FVZBFILIRBOZEP-AWEZNQCLSA-N 2 1 239.407 1.450 20 0 BDADMP C[NH2+]C1CCC([N@H+](C)C[C@H]2CCCCN2)CC1 ZINC001236211987 979448229 /nfs/dbraw/zinc/44/82/29/979448229.db2.gz AZZJTBLUFOFGFN-ROKHWSDSSA-N 2 1 239.407 1.591 20 0 BDADMP C[NH2+]C1CCC([N@@H+](C)C[C@H]2CCCCN2)CC1 ZINC001236211987 979448234 /nfs/dbraw/zinc/44/82/34/979448234.db2.gz AZZJTBLUFOFGFN-ROKHWSDSSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1[nH]c2ncccc2c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236243300 979463313 /nfs/dbraw/zinc/46/33/13/979463313.db2.gz XZSMJZZCEGYEHL-LLVKDONJSA-N 2 1 244.342 1.794 20 0 BDADMP Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236243300 979463319 /nfs/dbraw/zinc/46/33/19/979463319.db2.gz XZSMJZZCEGYEHL-LLVKDONJSA-N 2 1 244.342 1.794 20 0 BDADMP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314180 979525053 /nfs/dbraw/zinc/52/50/53/979525053.db2.gz JOEQXDDKJFUGTH-RVMXOQNASA-N 2 1 208.349 1.574 20 0 BDADMP CSCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314009 979526320 /nfs/dbraw/zinc/52/63/20/979526320.db2.gz FIUWINSBRJWHEV-TXEJJXNPSA-N 2 1 228.405 1.671 20 0 BDADMP CCc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321998 979531947 /nfs/dbraw/zinc/53/19/47/979531947.db2.gz ZOMONMUNRGLWOY-TXEJJXNPSA-N 2 1 248.374 1.404 20 0 BDADMP CCc1[nH]ncc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321998 979531954 /nfs/dbraw/zinc/53/19/54/979531954.db2.gz ZOMONMUNRGLWOY-TXEJJXNPSA-N 2 1 248.374 1.404 20 0 BDADMP CCc1[nH]ncc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321998 979531963 /nfs/dbraw/zinc/53/19/63/979531963.db2.gz ZOMONMUNRGLWOY-TXEJJXNPSA-N 2 1 248.374 1.404 20 0 BDADMP Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236321660 979532107 /nfs/dbraw/zinc/53/21/07/979532107.db2.gz KGMSGDIDMWQAHA-TXEJJXNPSA-N 2 1 247.342 1.219 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236320450 979533863 /nfs/dbraw/zinc/53/38/63/979533863.db2.gz HDDYSKJGSLSNHF-BETUJISGSA-N 2 1 246.358 1.216 20 0 BDADMP C[C@@H]1[C@H](N)CCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001236416341 979592174 /nfs/dbraw/zinc/59/21/74/979592174.db2.gz SUTBFJIHUSZERL-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H](N)CCC[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001236416341 979592181 /nfs/dbraw/zinc/59/21/81/979592181.db2.gz SUTBFJIHUSZERL-VXGBXAGGSA-N 2 1 225.380 1.188 20 0 BDADMP CCOC(=O)C[N@@H+](CCCC[NH3+])C1CCCC1 ZINC001236438553 979600827 /nfs/dbraw/zinc/60/08/27/979600827.db2.gz ZZAXPMIWJTWKSR-UHFFFAOYSA-N 2 1 242.363 1.533 20 0 BDADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC001236576500 979625774 /nfs/dbraw/zinc/62/57/74/979625774.db2.gz LMMKOWKYAHRJRO-BETUJISGSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+]1CCC(CN2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001236576500 979625780 /nfs/dbraw/zinc/62/57/80/979625780.db2.gz LMMKOWKYAHRJRO-BETUJISGSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC001206556236 979721471 /nfs/dbraw/zinc/72/14/71/979721471.db2.gz PEQSKJNZHMUYDD-AWEZNQCLSA-N 2 1 248.374 1.615 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)CCCC(C)(C)OC(C)=O ZINC001236860589 979764004 /nfs/dbraw/zinc/76/40/04/979764004.db2.gz RMNDHYDMGDVQCM-LBPRGKRZSA-N 2 1 244.379 1.777 20 0 BDADMP C[NH+](C)C1(C(=O)Nc2cccc3c2C[NH2+]C3)CC1 ZINC001342395077 979792997 /nfs/dbraw/zinc/79/29/97/979792997.db2.gz BWOZUYSEPVZLCN-UHFFFAOYSA-N 2 1 245.326 1.323 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237036796 979808223 /nfs/dbraw/zinc/80/82/23/979808223.db2.gz CLMSVISNZMYZHJ-MELADBBJSA-N 2 1 245.370 1.402 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001237036796 979808226 /nfs/dbraw/zinc/80/82/26/979808226.db2.gz CLMSVISNZMYZHJ-MELADBBJSA-N 2 1 245.370 1.402 20 0 BDADMP COc1ncccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265299 979820970 /nfs/dbraw/zinc/82/09/70/979820970.db2.gz PPLNJBFYZHGKAC-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP COc1ncccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205265299 979820974 /nfs/dbraw/zinc/82/09/74/979820974.db2.gz PPLNJBFYZHGKAC-CQSZACIVSA-N 2 1 249.358 1.794 20 0 BDADMP O=c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c[nH]1 ZINC001237383692 979882099 /nfs/dbraw/zinc/88/20/99/979882099.db2.gz RRYAEQYDXPMNPG-QWHCGFSZSA-N 2 1 247.342 1.361 20 0 BDADMP O=c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c[nH]1 ZINC001237383692 979882104 /nfs/dbraw/zinc/88/21/04/979882104.db2.gz RRYAEQYDXPMNPG-QWHCGFSZSA-N 2 1 247.342 1.361 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)nn1C ZINC001184135715 979945713 /nfs/dbraw/zinc/94/57/13/979945713.db2.gz ULPYBGNRABGHMR-ZDUSSCGKSA-N 2 1 248.374 1.160 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CCN(C)CC1 ZINC001184417337 980080683 /nfs/dbraw/zinc/08/06/83/980080683.db2.gz BCXFPGUHAVACOY-ZDUSSCGKSA-N 2 1 241.423 1.791 20 0 BDADMP OC[C@H]1CCCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102712 980149716 /nfs/dbraw/zinc/14/97/16/980149716.db2.gz HJXCVBUGMAOORP-CQSZACIVSA-N 2 1 245.326 1.681 20 0 BDADMP OC[C@H]1CCCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102712 980149722 /nfs/dbraw/zinc/14/97/22/980149722.db2.gz HJXCVBUGMAOORP-CQSZACIVSA-N 2 1 245.326 1.681 20 0 BDADMP C[C@]1(CO)CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345159166 980569079 /nfs/dbraw/zinc/56/90/79/980569079.db2.gz CRRPWARGEOOJAP-KBPBESRZSA-N 2 1 240.391 1.471 20 0 BDADMP C[NH2+][C@H](C)CCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001345481471 980617971 /nfs/dbraw/zinc/61/79/71/980617971.db2.gz CFIUKDADVANOFW-NQBHXWOUSA-N 2 1 225.380 1.057 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccccn1 ZINC001345481558 980618572 /nfs/dbraw/zinc/61/85/72/980618572.db2.gz CXRRMHALUIBXAV-QWRGUYRKSA-N 2 1 207.321 1.730 20 0 BDADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cncs2)CC1 ZINC001205545999 980945136 /nfs/dbraw/zinc/94/51/36/980945136.db2.gz OGVCXOPBORPQQB-LLVKDONJSA-N 2 1 243.351 1.796 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC001205603011 981171195 /nfs/dbraw/zinc/17/11/95/981171195.db2.gz MQXAESKZCAYQIW-VXGBXAGGSA-N 2 1 236.363 1.227 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc(N(C)C)s1 ZINC001348515067 981380848 /nfs/dbraw/zinc/38/08/48/981380848.db2.gz JLHPFXVTFBRBDJ-VIFPVBQESA-N 2 1 242.392 1.297 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC001205638335 981395268 /nfs/dbraw/zinc/39/52/68/981395268.db2.gz MOJACHXQKLUAKC-YPMHNXCESA-N 2 1 248.374 1.471 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC001348852305 981454543 /nfs/dbraw/zinc/45/45/43/981454543.db2.gz KHNDTJUFGNVKEQ-ZJUUUORDSA-N 2 1 225.311 1.869 20 0 BDADMP CC[C@H](C)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001193987290 981525912 /nfs/dbraw/zinc/52/59/12/981525912.db2.gz BWZNINJJOPJJJX-RYUDHWBXSA-N 2 1 236.363 1.966 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@](C)(CO)C2)CC[NH2+]C1 ZINC001349321168 981527598 /nfs/dbraw/zinc/52/75/98/981527598.db2.gz YZYXXJNPHMZJQL-OLZOCXBDSA-N 2 1 226.364 1.080 20 0 BDADMP c1cnc([C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC001580896938 981731321 /nfs/dbraw/zinc/73/13/21/981731321.db2.gz YPJPKVZNBFRJTM-QWHCGFSZSA-N 2 1 246.358 1.266 20 0 BDADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](CCC2CCCC2)C1 ZINC001205662955 981770157 /nfs/dbraw/zinc/77/01/57/981770157.db2.gz GGEIIKTZLFQRHH-AWEZNQCLSA-N 2 1 240.391 1.742 20 0 BDADMP [NH3+]CCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205763238 982415002 /nfs/dbraw/zinc/41/50/02/982415002.db2.gz OYWNWYHYUMTBNA-JTQLQIEISA-N 3 1 235.322 1.031 20 0 BDADMP [NH3+]CCCCCN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205763238 982415010 /nfs/dbraw/zinc/41/50/10/982415010.db2.gz OYWNWYHYUMTBNA-JTQLQIEISA-N 2 1 235.322 1.031 20 0 BDADMP C[N@@H+]1CC=C(c2ccnc(C[NH3+])c2)CC1 ZINC001241328001 982487883 /nfs/dbraw/zinc/48/78/83/982487883.db2.gz VHXOUQKUGSTEPV-UHFFFAOYSA-N 2 1 203.289 1.259 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802563 982538757 /nfs/dbraw/zinc/53/87/57/982538757.db2.gz BZPKBGXNRONPKF-PWSUYJOCSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802563 982538761 /nfs/dbraw/zinc/53/87/61/982538761.db2.gz BZPKBGXNRONPKF-PWSUYJOCSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802563 982538769 /nfs/dbraw/zinc/53/87/69/982538769.db2.gz BZPKBGXNRONPKF-PWSUYJOCSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001205802563 982538779 /nfs/dbraw/zinc/53/87/79/982538779.db2.gz BZPKBGXNRONPKF-PWSUYJOCSA-N 2 1 235.331 1.346 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](CCCC2OCCO2)C1 ZINC001205804302 982562097 /nfs/dbraw/zinc/56/20/97/982562097.db2.gz MPGKFGLFUWVZCC-RYUDHWBXSA-N 2 1 242.363 1.199 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](CCCC2OCCO2)C1 ZINC001205804302 982562100 /nfs/dbraw/zinc/56/21/00/982562100.db2.gz MPGKFGLFUWVZCC-RYUDHWBXSA-N 2 1 242.363 1.199 20 0 BDADMP C[NH2+]C[C@@H](C)CNCc1ccc(C[NH3+])cc1 ZINC001352791639 982582549 /nfs/dbraw/zinc/58/25/49/982582549.db2.gz YSRGAKQNLYAIRV-LLVKDONJSA-N 2 1 221.348 1.090 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[NH2+]C1CC([NH3+])C1 ZINC001352833148 982592242 /nfs/dbraw/zinc/59/22/42/982592242.db2.gz IFJQFGIMHAINDN-UHFFFAOYSA-N 2 1 222.336 1.287 20 0 BDADMP C[C@H]([NH3+])c1ccc(C2=CCC[N@@H+](C)C2)cn1 ZINC001241572272 982826847 /nfs/dbraw/zinc/82/68/47/982826847.db2.gz RMCULDRRAYHQKX-JTQLQIEISA-N 2 1 217.316 1.820 20 0 BDADMP C[NH+](C)Cc1cccc(Nc2c[nH+]ncc2N)c1 ZINC001201392046 983216459 /nfs/dbraw/zinc/21/64/59/983216459.db2.gz QZTICCDDFSIIPT-UHFFFAOYSA-N 2 1 243.314 1.864 20 0 BDADMP CCC[C@@H](C)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001201552085 983305929 /nfs/dbraw/zinc/30/59/29/983305929.db2.gz JFXAAOWGESIPRI-CQSZACIVSA-N 2 1 241.423 1.602 20 0 BDADMP CC(C)CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201623843 983375764 /nfs/dbraw/zinc/37/57/64/983375764.db2.gz BPWTZFBAXSNDRV-UHFFFAOYSA-N 2 1 207.321 1.787 20 0 BDADMP CC(C)CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201623843 983375771 /nfs/dbraw/zinc/37/57/71/983375771.db2.gz BPWTZFBAXSNDRV-UHFFFAOYSA-N 2 1 207.321 1.787 20 0 BDADMP CC[N@@H+](CCCSC)CCn1ccnc1 ZINC001201697615 983412824 /nfs/dbraw/zinc/41/28/24/983412824.db2.gz KBSRTHFHVDFJMH-UHFFFAOYSA-N 2 1 227.377 1.958 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]2C1 ZINC001355374928 983481858 /nfs/dbraw/zinc/48/18/58/983481858.db2.gz WCNKMRYJLALQRJ-OUCADQQQSA-N 2 1 248.374 1.572 20 0 BDADMP CCCC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001252106618 983645763 /nfs/dbraw/zinc/64/57/63/983645763.db2.gz AAPSBAXKTYTODH-QWHCGFSZSA-N 2 1 228.380 1.611 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2(c3ccccc3)CC2)C[C@H]1O ZINC001205946578 983648279 /nfs/dbraw/zinc/64/82/79/983648279.db2.gz NWLVCFKXJVBDQU-ZIAGYGMSSA-N 2 1 246.354 1.112 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C[C@H]1O ZINC001205946156 983654399 /nfs/dbraw/zinc/65/43/99/983654399.db2.gz JDZSNOVMEUXWAO-TZMCWYRMSA-N 2 1 245.326 1.062 20 0 BDADMP CCCC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252111615 983690403 /nfs/dbraw/zinc/69/04/03/983690403.db2.gz YMCNSPWZTJPCJH-CQSZACIVSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212759 983806892 /nfs/dbraw/zinc/80/68/92/983806892.db2.gz OKKWSQFOYQWLIT-NSHDSACASA-N 2 1 249.358 1.054 20 0 BDADMP C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212759 983806894 /nfs/dbraw/zinc/80/68/94/983806894.db2.gz OKKWSQFOYQWLIT-NSHDSACASA-N 2 1 249.358 1.054 20 0 BDADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000200043613 983944230 /nfs/dbraw/zinc/94/42/30/983944230.db2.gz WFSBDUPRTQFXTA-GFCCVEGCSA-N 2 1 226.364 1.316 20 0 BDADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000200043613 983944240 /nfs/dbraw/zinc/94/42/40/983944240.db2.gz WFSBDUPRTQFXTA-GFCCVEGCSA-N 2 1 226.364 1.316 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001253180990 984013004 /nfs/dbraw/zinc/01/30/04/984013004.db2.gz NHRODVXYKGCABD-OLZOCXBDSA-N 2 1 246.370 1.371 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@](C)(CF)C1 ZINC001253180990 984013018 /nfs/dbraw/zinc/01/30/18/984013018.db2.gz NHRODVXYKGCABD-OLZOCXBDSA-N 2 1 246.370 1.371 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC[C@]12CCOC2 ZINC001574799665 984118550 /nfs/dbraw/zinc/11/85/50/984118550.db2.gz FHXHCMHTUDSGER-QWHCGFSZSA-N 2 1 224.348 1.241 20 0 BDADMP CC(C)([NH3+])C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001575354527 984127686 /nfs/dbraw/zinc/12/76/86/984127686.db2.gz XEOWRGRFUFEUGE-ZIAGYGMSSA-N 2 1 248.370 1.259 20 0 BDADMP CC(C)([NH3+])C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001575354527 984127690 /nfs/dbraw/zinc/12/76/90/984127690.db2.gz XEOWRGRFUFEUGE-ZIAGYGMSSA-N 2 1 248.370 1.259 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@H]1CCOC2(CCC2)C1 ZINC001575317789 984127993 /nfs/dbraw/zinc/12/79/93/984127993.db2.gz JKNHDGKAEVHOSA-JTQLQIEISA-N 2 1 212.337 1.415 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)CC[NH2+]1 ZINC001576598269 984176937 /nfs/dbraw/zinc/17/69/37/984176937.db2.gz NBCNMMFCCPFLQP-SYQHCUMBSA-N 2 1 237.391 1.010 20 0 BDADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC001576972828 984187131 /nfs/dbraw/zinc/18/71/31/984187131.db2.gz YPDSAZLXPPMMLZ-REWJHTLYSA-N 2 1 242.407 1.904 20 0 BDADMP CCC[C@H](O)C[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001577369640 984193528 /nfs/dbraw/zinc/19/35/28/984193528.db2.gz SEMQVULBJDDPDG-CXQJBGSLSA-N 2 1 212.337 1.103 20 0 BDADMP CCOC(=O)C[N@@H+](CCC1C[NH2+]C1)CC(C)C ZINC001577951062 984203855 /nfs/dbraw/zinc/20/38/55/984203855.db2.gz ADLKNVVPLHRIQQ-UHFFFAOYSA-N 2 1 242.363 1.117 20 0 BDADMP C[NH2+]C[C@H](O)C[N@H+](C)Cc1cccc(C)c1C ZINC001578652959 984222602 /nfs/dbraw/zinc/22/26/02/984222602.db2.gz QZLMUEOCIDLDCH-AWEZNQCLSA-N 2 1 236.359 1.316 20 0 BDADMP C[NH2+]C[C@H](O)C[N@@H+](C)Cc1cccc(C)c1C ZINC001578652959 984222618 /nfs/dbraw/zinc/22/26/18/984222618.db2.gz QZLMUEOCIDLDCH-AWEZNQCLSA-N 2 1 236.359 1.316 20 0 BDADMP COC/C(C)=C/C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC001578954660 984234812 /nfs/dbraw/zinc/23/48/12/984234812.db2.gz SWSQOKDMWDRLJN-HCEGRNQMSA-N 2 1 226.364 1.555 20 0 BDADMP CO[C@@]1(C)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001578924960 984235768 /nfs/dbraw/zinc/23/57/68/984235768.db2.gz WGJODFXKBNNELH-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP COCC[C@H]([NH3+])C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001579002769 984245183 /nfs/dbraw/zinc/24/51/83/984245183.db2.gz UEOYHPVDAXNNPO-KBPBESRZSA-N 2 1 249.358 1.486 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cnc1F ZINC001579601651 984294102 /nfs/dbraw/zinc/29/41/02/984294102.db2.gz YLZBPNLKXAZKTA-NWDGAFQWSA-N 2 1 249.333 1.889 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000691400528 984315065 /nfs/dbraw/zinc/31/50/65/984315065.db2.gz RVROMTDZAWNELW-ZBAXXZLZSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@@H]1C[NH3+] ZINC001205985435 984319302 /nfs/dbraw/zinc/31/93/02/984319302.db2.gz YEZHZVVEQBTESC-TZMCWYRMSA-N 3 1 239.407 1.293 20 0 BDADMP COCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274981052 984432071 /nfs/dbraw/zinc/43/20/71/984432071.db2.gz XMUQTZJWUGFUCY-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP COCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001274981052 984432074 /nfs/dbraw/zinc/43/20/74/984432074.db2.gz XMUQTZJWUGFUCY-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP COCC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001274981052 984432089 /nfs/dbraw/zinc/43/20/89/984432089.db2.gz XMUQTZJWUGFUCY-CYBMUJFWSA-N 2 1 226.364 1.441 20 0 BDADMP C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275044912 984445446 /nfs/dbraw/zinc/44/54/46/984445446.db2.gz HMARQDLNUCTAQH-BETUJISGSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275044912 984445483 /nfs/dbraw/zinc/44/54/83/984445483.db2.gz HMARQDLNUCTAQH-BETUJISGSA-N 2 1 234.347 1.183 20 0 BDADMP C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275044912 984445490 /nfs/dbraw/zinc/44/54/90/984445490.db2.gz HMARQDLNUCTAQH-BETUJISGSA-N 2 1 234.347 1.183 20 0 BDADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275045588 984452121 /nfs/dbraw/zinc/45/21/21/984452121.db2.gz PTNDREJIPRZEMA-CQSZACIVSA-N 2 1 233.359 1.932 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275045588 984452131 /nfs/dbraw/zinc/45/21/31/984452131.db2.gz PTNDREJIPRZEMA-CQSZACIVSA-N 2 1 233.359 1.932 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275045588 984452141 /nfs/dbraw/zinc/45/21/41/984452141.db2.gz PTNDREJIPRZEMA-CQSZACIVSA-N 2 1 233.359 1.932 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275045588 984452153 /nfs/dbraw/zinc/45/21/53/984452153.db2.gz PTNDREJIPRZEMA-CQSZACIVSA-N 2 1 233.359 1.932 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001275137139 984503484 /nfs/dbraw/zinc/50/34/84/984503484.db2.gz PKKMQNYBNOASTI-UHFFFAOYSA-N 2 1 208.349 1.814 20 0 BDADMP C[N@H+]1CCc2c(F)cc(C3=CC[NH2+]C3)cc2C1 ZINC001243116548 984586703 /nfs/dbraw/zinc/58/67/03/984586703.db2.gz UYRNBLOOGWGPCK-UHFFFAOYSA-N 2 1 232.302 1.800 20 0 BDADMP CC[N@@H+](CCCCCCC[NH3+])[C@H]1CCNC1=O ZINC001577713162 984650899 /nfs/dbraw/zinc/65/08/99/984650899.db2.gz PFBQJKLEXRIJJC-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC001275844738 984690867 /nfs/dbraw/zinc/69/08/67/984690867.db2.gz YYXOWEDHFXGBEC-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC001275844738 984690906 /nfs/dbraw/zinc/69/09/06/984690906.db2.gz YYXOWEDHFXGBEC-UHFFFAOYSA-N 2 1 234.347 1.327 20 0 BDADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC001275871374 984716298 /nfs/dbraw/zinc/71/62/98/984716298.db2.gz XIXBXPWPSFKZQD-UHFFFAOYSA-N 2 1 245.370 1.999 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001577770854 984776845 /nfs/dbraw/zinc/77/68/45/984776845.db2.gz ONSPCUQBLWZXQW-JHJVBQTASA-N 2 1 225.380 1.201 20 0 BDADMP CC[NH2+]C1CC[NH+](CC2(C(=O)OC)CC2)CC1 ZINC001577821343 984800446 /nfs/dbraw/zinc/80/04/46/984800446.db2.gz KBOVGQNGXMGFOI-UHFFFAOYSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@H](Cc1ccncc1)n1cc[nH+]c1CCC[NH3+] ZINC001256733164 984802131 /nfs/dbraw/zinc/80/21/31/984802131.db2.gz JNYULQUDFYYKOC-GFCCVEGCSA-N 2 1 244.342 1.973 20 0 BDADMP CC[NH2+]C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC001577821222 984804585 /nfs/dbraw/zinc/80/45/85/984804585.db2.gz CRPHFRQGNWVLGH-LLVKDONJSA-N 2 1 240.347 1.014 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc[nH]c3)C[C@H]2CC1 ZINC001276102993 984814790 /nfs/dbraw/zinc/81/47/90/984814790.db2.gz CIQMCQCWAUJNQF-OKILXGFUSA-N 2 1 233.359 1.788 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc[nH]c3)C[C@H]2CC1 ZINC001276102993 984814791 /nfs/dbraw/zinc/81/47/91/984814791.db2.gz CIQMCQCWAUJNQF-OKILXGFUSA-N 2 1 233.359 1.788 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc[nH]c3)C[C@H]2CC1 ZINC001276102993 984814792 /nfs/dbraw/zinc/81/47/92/984814792.db2.gz CIQMCQCWAUJNQF-OKILXGFUSA-N 2 1 233.359 1.788 20 0 BDADMP CCOC(=O)[C@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578026104 984837141 /nfs/dbraw/zinc/83/71/41/984837141.db2.gz PTYKBYOKEQSSJU-QJPTWQEYSA-N 2 1 240.347 1.141 20 0 BDADMP Cn1nccc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276281787 984839853 /nfs/dbraw/zinc/83/98/53/984839853.db2.gz UVVJYGVYGBGOOW-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1nccc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276281787 984839854 /nfs/dbraw/zinc/83/98/54/984839854.db2.gz UVVJYGVYGBGOOW-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP Cn1nccc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276281787 984839856 /nfs/dbraw/zinc/83/98/56/984839856.db2.gz UVVJYGVYGBGOOW-BETUJISGSA-N 2 1 248.374 1.194 20 0 BDADMP CCOC1CC([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001578087954 984845464 /nfs/dbraw/zinc/84/54/64/984845464.db2.gz WTWIEHXZTHXPEZ-IWMBGFJWSA-N 2 1 240.391 1.874 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC001578151447 984857975 /nfs/dbraw/zinc/85/79/75/984857975.db2.gz KICHKJSCGMDJMN-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]CCC(C)(C)C(=O)OC ZINC001578241852 984895933 /nfs/dbraw/zinc/89/59/33/984895933.db2.gz ONKWKTBYYWCUOG-MNOVXSKESA-N 2 1 242.363 1.306 20 0 BDADMP CCc1ccccc1C[N@H+](C)C[C@H](O)C[NH2+]C ZINC001578275240 984923462 /nfs/dbraw/zinc/92/34/62/984923462.db2.gz FPBYMZWDGONVTL-CQSZACIVSA-N 2 1 236.359 1.261 20 0 BDADMP CCc1ccccc1C[N@@H+](C)C[C@H](O)C[NH2+]C ZINC001578275240 984923483 /nfs/dbraw/zinc/92/34/83/984923483.db2.gz FPBYMZWDGONVTL-CQSZACIVSA-N 2 1 236.359 1.261 20 0 BDADMP C[N@@H+](C[C@@H](O)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000685985630 985028844 /nfs/dbraw/zinc/02/88/44/985028844.db2.gz WRGWHNMSGLRMIH-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@@H](O)C1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000685985630 985028856 /nfs/dbraw/zinc/02/88/56/985028856.db2.gz WRGWHNMSGLRMIH-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP C[NH+](C[C@@H](O)C1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000685985630 985028868 /nfs/dbraw/zinc/02/88/68/985028868.db2.gz WRGWHNMSGLRMIH-DGCLKSJQSA-N 2 1 226.364 1.031 20 0 BDADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1C1CCCCC1 ZINC001257450650 985045939 /nfs/dbraw/zinc/04/59/39/985045939.db2.gz ILZUJBUFCYPSLA-SNVBAGLBSA-N 2 1 223.320 1.250 20 0 BDADMP CN(CC[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC001578469958 985107043 /nfs/dbraw/zinc/10/70/43/985107043.db2.gz KEAFIAYXUUCJPZ-NWDGAFQWSA-N 2 1 225.380 1.140 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)O1 ZINC000686514909 985127991 /nfs/dbraw/zinc/12/79/91/985127991.db2.gz KJESRDPUDIJKTR-SYLRKERUSA-N 2 1 226.364 1.530 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H](NCC[NH2+]C(C)(C)C)[C@@H]2C1 ZINC001578520764 985145440 /nfs/dbraw/zinc/14/54/40/985145440.db2.gz GHUVHRXMYAXNRS-XQQFMLRXSA-N 2 1 239.407 1.304 20 0 BDADMP C[N@H+]1CCC[C@H]1CNC[C@@H]([NH3+])CCC(C)(C)C ZINC001578530216 985153732 /nfs/dbraw/zinc/15/37/32/985153732.db2.gz BYYRSXQVFYJPDR-STQMWFEESA-N 2 1 241.423 1.824 20 0 BDADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578529720 985154144 /nfs/dbraw/zinc/15/41/44/985154144.db2.gz YQQSQUYPRTXUGH-CRWXNKLISA-N 2 1 237.391 1.282 20 0 BDADMP C[N@H+]1CCC[C@@H](Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC001578528481 985155920 /nfs/dbraw/zinc/15/59/20/985155920.db2.gz IAIMJAXSTFTVFH-CQSZACIVSA-N 2 1 231.343 1.796 20 0 BDADMP C[NH2+]C[C@H](C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001578620358 985229063 /nfs/dbraw/zinc/22/90/63/985229063.db2.gz FDKDTAKESXGDHI-VIFPVBQESA-N 2 1 238.335 1.005 20 0 BDADMP CO[C@@H]1CC[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000687252864 985275204 /nfs/dbraw/zinc/27/52/04/985275204.db2.gz ASFAOCSKIYOHFS-DGCLKSJQSA-N 2 1 226.364 1.485 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](COC)c1ccc(F)cc1 ZINC001578692216 985295465 /nfs/dbraw/zinc/29/54/65/985295465.db2.gz XDLMSTHQHBBQMO-CYBMUJFWSA-N 2 1 240.322 1.712 20 0 BDADMP COC(=O)C[N@H+](CC(C)C)C[C@H](C[NH3+])C(C)C ZINC001578812475 985381170 /nfs/dbraw/zinc/38/11/70/985381170.db2.gz VBTOFTRJOQYHJR-LBPRGKRZSA-N 2 1 244.379 1.348 20 0 BDADMP COC(=O)C[N@@H+](CC(C)C)C[C@H](C[NH3+])C(C)C ZINC001578812475 985381192 /nfs/dbraw/zinc/38/11/92/985381192.db2.gz VBTOFTRJOQYHJR-LBPRGKRZSA-N 2 1 244.379 1.348 20 0 BDADMP COC(=O)[C@H](CC(C)C)[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001578846204 985416516 /nfs/dbraw/zinc/41/65/16/985416516.db2.gz ZEXOYRRLURNXCH-ZRZGDYATSA-N 2 1 240.347 1.044 20 0 BDADMP CO[C@H](C)CN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001578899954 985467795 /nfs/dbraw/zinc/46/77/95/985467795.db2.gz AHUSOKBODXBIST-OASPWFOLSA-N 2 1 220.316 1.236 20 0 BDADMP CO[C@@](C)(C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC001578898405 985474420 /nfs/dbraw/zinc/47/44/20/985474420.db2.gz YFOUUXGSGKRWGU-DYEKYZERSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000688046313 985525109 /nfs/dbraw/zinc/52/51/09/985525109.db2.gz BEPMYGLSYCJRJD-NTZNESFSSA-N 2 1 224.348 1.095 20 0 BDADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)CCC1 ZINC001578924431 985528805 /nfs/dbraw/zinc/52/88/05/985528805.db2.gz PGBKCWMYLUNXBW-WDEREUQCSA-N 2 1 212.337 1.286 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCC2 ZINC001578935714 985545029 /nfs/dbraw/zinc/54/50/29/985545029.db2.gz KNDZQEAURZAWIA-WISYIIOYSA-N 2 1 224.348 1.142 20 0 BDADMP COC[C@@](C)(CO)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001578953958 985560900 /nfs/dbraw/zinc/56/09/00/985560900.db2.gz CCNPMPWUDXUJLO-DGCLKSJQSA-N 2 1 246.395 1.127 20 0 BDADMP C(CC1CCC1)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000688384408 985626101 /nfs/dbraw/zinc/62/61/01/985626101.db2.gz BGIXGEFXUNSWFW-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP C(CC1CCC1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000688384408 985626112 /nfs/dbraw/zinc/62/61/12/985626112.db2.gz BGIXGEFXUNSWFW-OLZOCXBDSA-N 2 1 208.349 1.860 20 0 BDADMP c1cc(C2=C[NH2+]CCC2)ncc1OC1C[NH2+]C1 ZINC001243951650 985657949 /nfs/dbraw/zinc/65/79/49/985657949.db2.gz KSZHGNUNYWTKLQ-UHFFFAOYSA-N 2 1 231.299 1.157 20 0 BDADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[NH2+][C@H]2C)O1 ZINC000688884129 985746287 /nfs/dbraw/zinc/74/62/87/985746287.db2.gz OOOHDXDSMMHNFT-XQHKEYJVSA-N 2 1 226.364 1.674 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000689079746 985797478 /nfs/dbraw/zinc/79/74/78/985797478.db2.gz NWBIXSVGGSETND-FVCCEPFGSA-N 2 1 226.364 1.613 20 0 BDADMP COc1c(Cl)cccc1C[NH2+]C1CC([NH3+])C1 ZINC001579134342 985809595 /nfs/dbraw/zinc/80/95/95/985809595.db2.gz FTSQPVYLLZNEFC-UHFFFAOYSA-N 2 1 240.734 1.928 20 0 BDADMP COc1cc(F)cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1 ZINC001579158866 985810568 /nfs/dbraw/zinc/81/05/68/985810568.db2.gz QLYQJBKIXQQQCS-PHIMTYICSA-N 2 1 224.279 1.414 20 0 BDADMP COc1ncc(C[NH2+]CC[C@@H]([NH3+])C(C)C)s1 ZINC001579324264 985844564 /nfs/dbraw/zinc/84/45/64/985844564.db2.gz GLUZNMGVQKCJRN-SNVBAGLBSA-N 2 1 243.376 1.615 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H]1C ZINC001579366923 985860978 /nfs/dbraw/zinc/86/09/78/985860978.db2.gz GOCWBDGHMZUXFU-XFWSIPNHSA-N 2 1 200.351 1.220 20 0 BDADMP C[C@@H](CC1CC1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001258452144 985895217 /nfs/dbraw/zinc/89/52/17/985895217.db2.gz ZCSDWYLYQSNMQH-ZDUSSCGKSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(O)CCCCCC2)C[C@H]1[NH3+] ZINC001579440386 985900933 /nfs/dbraw/zinc/90/09/33/985900933.db2.gz ZKNZHOXUEALJQY-VXGBXAGGSA-N 2 1 226.364 1.351 20 0 BDADMP C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2)C[C@H]1[NH3+] ZINC001579440500 985927836 /nfs/dbraw/zinc/92/78/36/985927836.db2.gz FLHNGTQKHWPUCO-UKRRQHHQSA-N 2 1 247.386 1.397 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001579454682 985941021 /nfs/dbraw/zinc/94/10/21/985941021.db2.gz VFSLFWBDSXYKON-UPJWGTAASA-N 2 1 246.358 1.121 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001579455757 985949322 /nfs/dbraw/zinc/94/93/22/985949322.db2.gz QOAYGNNZEGJKMO-LPWJVIDDSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC001579505073 986042221 /nfs/dbraw/zinc/04/22/21/986042221.db2.gz IESBCVKWSCZCKV-KOLCDFICSA-N 2 1 247.333 1.056 20 0 BDADMP C[C@H]1[C@@H](O)CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001579506406 986047569 /nfs/dbraw/zinc/04/75/69/986047569.db2.gz KLVVGNUWEHGCGL-XQQFMLRXSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1c(C[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cnn1C ZINC001579531162 986068775 /nfs/dbraw/zinc/06/87/75/986068775.db2.gz PBGPVXJVKNEPQU-PWSUYJOCSA-N 2 1 236.363 1.016 20 0 BDADMP Cc1c(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cnn1C ZINC001579531162 986068800 /nfs/dbraw/zinc/06/88/00/986068800.db2.gz PBGPVXJVKNEPQU-PWSUYJOCSA-N 2 1 236.363 1.016 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)C)[C@H](C)C1 ZINC000305135518 986078451 /nfs/dbraw/zinc/07/84/51/986078451.db2.gz OJWDJLQDNIQFOR-MCIONIFRSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cc(NC(=O)C23CCC(CC2)[NH2+]3)cc(C)[nH+]1 ZINC001579626313 986146850 /nfs/dbraw/zinc/14/68/50/986146850.db2.gz NNQWLWRPTFBGOE-UHFFFAOYSA-N 2 1 245.326 1.343 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC001258772553 986153134 /nfs/dbraw/zinc/15/31/34/986153134.db2.gz SPQACOFPGACSSK-TZMCWYRMSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1cccnc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001579808789 986229749 /nfs/dbraw/zinc/22/97/49/986229749.db2.gz MQLUHGMKRNNHKF-NEPJUHHUSA-N 2 1 219.332 1.335 20 0 BDADMP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])C2)s1 ZINC001579849022 986273158 /nfs/dbraw/zinc/27/31/58/986273158.db2.gz GANKJEMXKZGSAY-DTORHVGOSA-N 2 1 211.334 1.339 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCn2ccnc21 ZINC001462145291 986296881 /nfs/dbraw/zinc/29/68/81/986296881.db2.gz HHIOFXXQQWGHER-GFCCVEGCSA-N 2 1 245.330 1.513 20 0 BDADMP Cn1cc(C[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)cn1 ZINC001579961277 986364463 /nfs/dbraw/zinc/36/44/63/986364463.db2.gz HBQXGXVDDRDGDH-KBPBESRZSA-N 2 1 248.374 1.371 20 0 BDADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001579980244 986379449 /nfs/dbraw/zinc/37/94/49/986379449.db2.gz LIZJGFVNKHDHGJ-YNEHKIRRSA-N 2 1 248.374 1.337 20 0 BDADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC001580020875 986416287 /nfs/dbraw/zinc/41/62/87/986416287.db2.gz GIKQGDUABAKMRB-JQCXWYLXSA-N 2 1 220.238 1.136 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001462663615 986494874 /nfs/dbraw/zinc/49/48/74/986494874.db2.gz FJLVMZACWACTNW-SDDRHHMPSA-N 2 1 240.416 1.812 20 0 BDADMP [NH3+][C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2)CC(F)(F)F ZINC001580131095 986600473 /nfs/dbraw/zinc/60/04/73/986600473.db2.gz ACUNRVVAYKTINZ-RBXMUDONSA-N 2 1 238.253 1.176 20 0 BDADMP CCO[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254523776 986666500 /nfs/dbraw/zinc/66/65/00/986666500.db2.gz RKQAQOZHVLQDGS-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254523776 986666510 /nfs/dbraw/zinc/66/65/10/986666510.db2.gz RKQAQOZHVLQDGS-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CCO[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254523776 986666519 /nfs/dbraw/zinc/66/65/19/986666519.db2.gz RKQAQOZHVLQDGS-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC([NH+]3CCCC3)C2)CC1 ZINC001254522003 986670453 /nfs/dbraw/zinc/67/04/53/986670453.db2.gz AQRNUKZYKXKWNC-ZDUSSCGKSA-N 2 1 237.391 1.251 20 0 BDADMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)C[C@@H]1F ZINC001254515784 986671870 /nfs/dbraw/zinc/67/18/70/986671870.db2.gz CUVKYFYTKBAVIS-UTUOFQBUSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)C[C@@H]1F ZINC001254515784 986671873 /nfs/dbraw/zinc/67/18/73/986671873.db2.gz CUVKYFYTKBAVIS-UTUOFQBUSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C[C@@H]1F ZINC001254515784 986671878 /nfs/dbraw/zinc/67/18/78/986671878.db2.gz CUVKYFYTKBAVIS-UTUOFQBUSA-N 2 1 214.328 1.761 20 0 BDADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C[C@@H]1F ZINC001254515784 986671885 /nfs/dbraw/zinc/67/18/85/986671885.db2.gz CUVKYFYTKBAVIS-UTUOFQBUSA-N 2 1 214.328 1.761 20 0 BDADMP [NH3+]C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)C1CCCC1 ZINC001580230070 986681275 /nfs/dbraw/zinc/68/12/75/986681275.db2.gz YOMTUXNTXUVKEB-GFCCVEGCSA-N 2 1 235.331 1.394 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC1=CCCC1 ZINC001580253039 986702215 /nfs/dbraw/zinc/70/22/15/986702215.db2.gz GCPOKINQCHOFLV-STQMWFEESA-N 2 1 206.333 1.910 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC1=CCCC1 ZINC001580253039 986702221 /nfs/dbraw/zinc/70/22/21/986702221.db2.gz GCPOKINQCHOFLV-STQMWFEESA-N 2 1 206.333 1.910 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1cc[nH]c(=O)c1 ZINC001580253113 986705140 /nfs/dbraw/zinc/70/51/40/986705140.db2.gz HRPDUJBWGXXEFF-DGCLKSJQSA-N 2 1 233.315 1.100 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1cc[nH]c(=O)c1 ZINC001580253113 986705143 /nfs/dbraw/zinc/70/51/43/986705143.db2.gz HRPDUJBWGXXEFF-DGCLKSJQSA-N 2 1 233.315 1.100 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1cc[nH]c(=O)c1 ZINC001580253114 986706226 /nfs/dbraw/zinc/70/62/26/986706226.db2.gz HRPDUJBWGXXEFF-WCQYABFASA-N 2 1 233.315 1.100 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1cc[nH]c(=O)c1 ZINC001580253114 986706240 /nfs/dbraw/zinc/70/62/40/986706240.db2.gz HRPDUJBWGXXEFF-WCQYABFASA-N 2 1 233.315 1.100 20 0 BDADMP [NH3+]CC[C@H](O)C[N@@H+](CCC1CC1)CC1CC1 ZINC001580284964 986732909 /nfs/dbraw/zinc/73/29/09/986732909.db2.gz YXCYKKCWDFAAGG-ZDUSSCGKSA-N 2 1 226.364 1.208 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccn3)n[nH]2)C1 ZINC001580422914 986840093 /nfs/dbraw/zinc/84/00/93/986840093.db2.gz HUPOVRLDOOVUBK-AOOOYVTPSA-N 2 1 243.314 1.051 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc3cccnc3o2)C1 ZINC001580423447 986843018 /nfs/dbraw/zinc/84/30/18/986843018.db2.gz ZGOBKLUTWJQGNM-AOOOYVTPSA-N 2 1 217.272 1.407 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCSC1 ZINC001255280151 986886835 /nfs/dbraw/zinc/88/68/35/986886835.db2.gz VLTTXPTXVLDTIX-SECBINFHSA-N 2 1 211.334 1.452 20 0 BDADMP COc1cc(C)[nH+]cc1-c1ccncc1C[NH3+] ZINC001245557916 986947253 /nfs/dbraw/zinc/94/72/53/986947253.db2.gz NOIJHAVYBONZHZ-UHFFFAOYSA-N 2 1 229.283 1.919 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)[NH2+]C1 ZINC001245989546 987269529 /nfs/dbraw/zinc/26/95/29/987269529.db2.gz GZAXOMGWLMVZCS-GRYCIOLGSA-N 2 1 228.380 1.371 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001245999676 987285711 /nfs/dbraw/zinc/28/57/11/987285711.db2.gz BZEHMDDYAURORH-QWHCGFSZSA-N 2 1 222.332 1.221 20 0 BDADMP C[C@@](O)(C[N@H+]1CCC[C@@H]([NH3+])CC1)c1ccccc1 ZINC001246015839 987294695 /nfs/dbraw/zinc/29/46/95/987294695.db2.gz HQAVRWIYQPOWHL-HUUCEWRRSA-N 2 1 248.370 1.707 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246017653 987301573 /nfs/dbraw/zinc/30/15/73/987301573.db2.gz SJFSSEROEHNETE-OLZOCXBDSA-N 2 1 228.380 1.741 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016541 987302075 /nfs/dbraw/zinc/30/20/75/987302075.db2.gz LWZLVZGBYABQBH-RYUDHWBXSA-N 2 1 214.353 1.351 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246019120 987306919 /nfs/dbraw/zinc/30/69/19/987306919.db2.gz HIOOELRLRBHMBD-NEPJUHHUSA-N 2 1 214.353 1.351 20 0 BDADMP CC(C)(C)[C@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020798 987309791 /nfs/dbraw/zinc/30/97/91/987309791.db2.gz MEYMLBJDSSUWOV-DGCLKSJQSA-N 2 1 246.370 1.546 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246023082 987311200 /nfs/dbraw/zinc/31/12/00/987311200.db2.gz RZTWDFNUDABOGW-WCQYABFASA-N 2 1 228.380 1.597 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC001246023358 987314841 /nfs/dbraw/zinc/31/48/41/987314841.db2.gz POFYMBKXUNEIED-UTUOFQBUSA-N 2 1 228.380 1.453 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC001246023358 987314844 /nfs/dbraw/zinc/31/48/44/987314844.db2.gz POFYMBKXUNEIED-UTUOFQBUSA-N 2 1 228.380 1.453 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246025345 987317508 /nfs/dbraw/zinc/31/75/08/987317508.db2.gz WWWSCXFZBIBQBA-UONOGXRCSA-N 2 1 242.407 1.988 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246030156 987330208 /nfs/dbraw/zinc/33/02/08/987330208.db2.gz FBCQEQSHVWNTBU-RYUDHWBXSA-N 2 1 214.353 1.208 20 0 BDADMP CCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246031910 987331002 /nfs/dbraw/zinc/33/10/02/987331002.db2.gz RJBKLDCTWJBMQW-XQQFMLRXSA-N 2 1 228.380 1.454 20 0 BDADMP CCCCC[C@@H](O)C[N@H+](C)C[C@@H]([NH3+])CC ZINC001246055391 987351124 /nfs/dbraw/zinc/35/11/24/987351124.db2.gz BUMLKEJEKCVTSG-NWDGAFQWSA-N 2 1 216.369 1.597 20 0 BDADMP CCCCC[C@@H](O)C[N@@H+](C)C[C@@H]([NH3+])CC ZINC001246055391 987351132 /nfs/dbraw/zinc/35/11/32/987351132.db2.gz BUMLKEJEKCVTSG-NWDGAFQWSA-N 2 1 216.369 1.597 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246071721 987357631 /nfs/dbraw/zinc/35/76/31/987357631.db2.gz CDIPUQWLDSYVTF-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP CCOCC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699314100 987373890 /nfs/dbraw/zinc/37/38/90/987373890.db2.gz GEUUCHZKDORKHX-YHWZYXNKSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1CC[C@H](N[C@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246080820 987376548 /nfs/dbraw/zinc/37/65/48/987376548.db2.gz OTEGNHNIELYWQX-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+]CCCCCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246081074 987378906 /nfs/dbraw/zinc/37/89/06/987378906.db2.gz QVAOZXJFLDMZMI-ZDUSSCGKSA-N 3 1 227.396 1.627 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CC[C@@H]1CCCCO1 ZINC000699710736 987381787 /nfs/dbraw/zinc/38/17/87/987381787.db2.gz MYVNALLCRCGTCN-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000699710736 987381796 /nfs/dbraw/zinc/38/17/96/987381796.db2.gz MYVNALLCRCGTCN-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)CC[C@H]1CCCCO1 ZINC000699710728 987382392 /nfs/dbraw/zinc/38/23/92/987382392.db2.gz MYVNALLCRCGTCN-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@H]1CCCCO1 ZINC000699710728 987382399 /nfs/dbraw/zinc/38/23/99/987382399.db2.gz MYVNALLCRCGTCN-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001246097177 987407672 /nfs/dbraw/zinc/40/76/72/987407672.db2.gz GNWZFCUGTDUJNY-BFHYXJOUSA-N 2 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC001246097177 987407677 /nfs/dbraw/zinc/40/76/77/987407677.db2.gz GNWZFCUGTDUJNY-BFHYXJOUSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001246097177 987407690 /nfs/dbraw/zinc/40/76/90/987407690.db2.gz GNWZFCUGTDUJNY-BFHYXJOUSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246096920 987410805 /nfs/dbraw/zinc/41/08/05/987410805.db2.gz NQTLJYBKYBTLJR-BJJPWKGXSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246098945 987412464 /nfs/dbraw/zinc/41/24/64/987412464.db2.gz UAWRAZARPZEOHE-UMSGYPCISA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246099853 987416852 /nfs/dbraw/zinc/41/68/52/987416852.db2.gz KUGJMOSOCFZQHD-ZDCRXTMVSA-N 2 1 200.301 1.607 20 0 BDADMP C[C@@H]1CC[C@@H](CN[C@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246102030 987424097 /nfs/dbraw/zinc/42/40/97/987424097.db2.gz WFAVTJRNHMMIJB-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246102030 987424099 /nfs/dbraw/zinc/42/40/99/987424099.db2.gz WFAVTJRNHMMIJB-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246102030 987424101 /nfs/dbraw/zinc/42/41/01/987424101.db2.gz WFAVTJRNHMMIJB-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246108857 987442846 /nfs/dbraw/zinc/44/28/46/987442846.db2.gz IRIRGFBVGAHBQE-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CCN1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001246108857 987442852 /nfs/dbraw/zinc/44/28/52/987442852.db2.gz IRIRGFBVGAHBQE-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246116513 987459214 /nfs/dbraw/zinc/45/92/14/987459214.db2.gz FWZTYKXXSMZOLL-FDYHWXHSSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC001246119623 987465521 /nfs/dbraw/zinc/46/55/21/987465521.db2.gz WRTCEFPMHBYMRI-FVCCEPFGSA-N 3 1 225.380 1.105 20 0 BDADMP C1OCC12CCC([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246120017 987465596 /nfs/dbraw/zinc/46/55/96/987465596.db2.gz JJGFGRGYFBILOY-LBPRGKRZSA-N 2 1 224.348 1.287 20 0 BDADMP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130851 987478820 /nfs/dbraw/zinc/47/88/20/987478820.db2.gz WQHNDBWZYRFFFG-UPJWGTAASA-N 2 1 228.380 1.922 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@@H]1C ZINC001246132025 987483726 /nfs/dbraw/zinc/48/37/26/987483726.db2.gz CGOPSMMAUQDLIE-KLVXDSBYSA-N 2 1 238.375 1.388 20 0 BDADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246134597 987487911 /nfs/dbraw/zinc/48/79/11/987487911.db2.gz NUDOHTPFSHYQBS-XVIXHAIJSA-N 2 1 240.391 1.778 20 0 BDADMP CC1(C)CCC[C@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)C1 ZINC001246133016 987488081 /nfs/dbraw/zinc/48/80/81/987488081.db2.gz HPLPEKMKFLPIJH-UMSGYPCISA-N 2 1 238.375 1.532 20 0 BDADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246134588 987489809 /nfs/dbraw/zinc/48/98/09/987489809.db2.gz NUDOHTPFSHYQBS-DHGKCCLASA-N 2 1 240.391 1.778 20 0 BDADMP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246136009 987491691 /nfs/dbraw/zinc/49/16/91/987491691.db2.gz UINUXSDOGMBYIP-REWJHTLYSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]1CC([NH2+][C@H]2C[NH2+]CC23CC3)C[C@@H](C)O1 ZINC001246136927 987493852 /nfs/dbraw/zinc/49/38/52/987493852.db2.gz YRPYXBKXWFSDPS-FOGDFJRCSA-N 2 1 224.348 1.284 20 0 BDADMP C[C@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[NH2+]1 ZINC001246152959 987512088 /nfs/dbraw/zinc/51/20/88/987512088.db2.gz OKVIZYYGSYKQLH-MMMKDXCPSA-N 2 1 246.354 1.375 20 0 BDADMP CCC[C@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246153443 987512550 /nfs/dbraw/zinc/51/25/50/987512550.db2.gz RVUBQTVKCFUCDJ-RYUDHWBXSA-N 2 1 244.379 1.825 20 0 BDADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 ZINC001246153876 987517370 /nfs/dbraw/zinc/51/73/70/987517370.db2.gz ULNXHZOQKPXXFR-WOPDTQHZSA-N 2 1 242.363 1.435 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246161341 987522860 /nfs/dbraw/zinc/52/28/60/987522860.db2.gz JRBORJVROXJCBX-KGLIPLIRSA-N 2 1 241.423 1.839 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246161342 987523859 /nfs/dbraw/zinc/52/38/59/987523859.db2.gz JRBORJVROXJCBX-UONOGXRCSA-N 2 1 241.423 1.839 20 0 BDADMP CN(CC[NH2+][C@@H]1CCCNC1)c1ccccc1 ZINC001246172798 987539271 /nfs/dbraw/zinc/53/92/71/987539271.db2.gz CRSSCVCSPOHGTO-CYBMUJFWSA-N 2 1 233.359 1.464 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)CC[NH2+]1 ZINC001246184580 987559144 /nfs/dbraw/zinc/55/91/44/987559144.db2.gz MDVKBCYZDGSKJD-MWLCHTKSSA-N 2 1 246.314 1.453 20 0 BDADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246188645 987572353 /nfs/dbraw/zinc/57/23/53/987572353.db2.gz ZHIZKCFVUOFAQE-KGLIPLIRSA-N 2 1 246.354 1.504 20 0 BDADMP c1ccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)COC2)cc1 ZINC001246190671 987580918 /nfs/dbraw/zinc/58/09/18/987580918.db2.gz RKRYHXKRVUEXLC-AWEZNQCLSA-N 2 1 246.354 1.296 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2(C3CCOCC3)CC2)C[NH2+]1 ZINC001246194221 987584106 /nfs/dbraw/zinc/58/41/06/987584106.db2.gz GRDJPUQWDMGSPO-YPMHNXCESA-N 2 1 238.375 1.676 20 0 BDADMP C([NH2+]C1CCC2(CC[NH2+]CC2)CC1)[C@H]1CCN1 ZINC001246199474 987595042 /nfs/dbraw/zinc/59/50/42/987595042.db2.gz KJDJRIHCWHTEJL-CYBMUJFWSA-N 2 1 237.391 1.250 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246204329 987600728 /nfs/dbraw/zinc/60/07/28/987600728.db2.gz FHIUCTUIMDAWNZ-POQQGIQPSA-N 3 1 237.391 1.519 20 0 BDADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCCNC2)CC1 ZINC001246206438 987603319 /nfs/dbraw/zinc/60/33/19/987603319.db2.gz OZVKVFZPTMEXSV-IHRRRGAJSA-N 2 1 239.407 1.483 20 0 BDADMP c1cc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)ccn1 ZINC001246211618 987606503 /nfs/dbraw/zinc/60/65/03/987606503.db2.gz NLZWPKDYWAIKJQ-PBWFPOADSA-N 2 1 243.354 1.943 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2(c3ccncc3)CC2)CC[NH2+]1 ZINC001246210076 987607784 /nfs/dbraw/zinc/60/77/84/987607784.db2.gz IBFZTVKLIWQYIO-AAEUAGOBSA-N 2 1 231.343 1.801 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C[NH2+]1 ZINC001246223742 987622758 /nfs/dbraw/zinc/62/27/58/987622758.db2.gz UVMGKUWEXODURW-IEECTRCBSA-N 2 1 208.349 1.905 20 0 BDADMP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)COC1 ZINC001246223981 987623547 /nfs/dbraw/zinc/62/35/47/987623547.db2.gz LQOQORXPVFGENY-ZACCUICWSA-N 2 1 210.321 1.038 20 0 BDADMP C1C[C@@]2(C[NH2+]1)CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246228201 987625066 /nfs/dbraw/zinc/62/50/66/987625066.db2.gz VKOXWZOJDPXKEM-MJBXVCDLSA-N 3 1 237.391 1.250 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246228189 987626139 /nfs/dbraw/zinc/62/61/39/987626139.db2.gz VKOXWZOJDPXKEM-BFHYXJOUSA-N 3 1 237.391 1.250 20 0 BDADMP CCOC(CC[NH2+][C@@H]1CC[C@H](C)NC1)OCC ZINC001246234133 987631543 /nfs/dbraw/zinc/63/15/43/987631543.db2.gz TXJWOZIEUOMBEO-NWDGAFQWSA-N 2 1 244.379 1.506 20 0 BDADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246236484 987634044 /nfs/dbraw/zinc/63/40/44/987634044.db2.gz LFLJSVXCGUNDHM-REWJHTLYSA-N 3 1 239.407 1.767 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[NH2+]1 ZINC001246270015 987665718 /nfs/dbraw/zinc/66/57/18/987665718.db2.gz ZVBGIFIOZXMCIC-RYUDHWBXSA-N 3 1 227.396 1.447 20 0 BDADMP OC[C@H](C[NH2+][C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001246276240 987669575 /nfs/dbraw/zinc/66/95/75/987669575.db2.gz BNNPNVPNQJILFU-GJZGRUSLSA-N 2 1 248.370 1.179 20 0 BDADMP CC[NH2+]CC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246274026 987670640 /nfs/dbraw/zinc/67/06/40/987670640.db2.gz UOWJWVPUFUHQNJ-LBPRGKRZSA-N 3 1 225.380 1.108 20 0 BDADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246297501 987691046 /nfs/dbraw/zinc/69/10/46/987691046.db2.gz GTBPRYJPVPJKBH-IGQOVBAYSA-N 2 1 242.407 1.761 20 0 BDADMP CCCC(CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246299530 987694711 /nfs/dbraw/zinc/69/47/11/987694711.db2.gz LRVHMKGIQULNDI-CMPLNLGQSA-N 2 1 214.353 1.125 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246298475 987695199 /nfs/dbraw/zinc/69/51/99/987695199.db2.gz BLNWAFJXNAGKFK-RNJOBUHISA-N 2 1 228.380 1.371 20 0 BDADMP C[C@H](CC[NH3+])[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246300368 987697694 /nfs/dbraw/zinc/69/76/94/987697694.db2.gz NGACYALOXLAGGP-CHWSQXEVSA-N 3 1 239.407 1.768 20 0 BDADMP CCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246306641 987705037 /nfs/dbraw/zinc/70/50/37/987705037.db2.gz LABLMHZCQNKBHA-MELADBBJSA-N 2 1 242.407 1.905 20 0 BDADMP CC[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246305464 987705194 /nfs/dbraw/zinc/70/51/94/987705194.db2.gz HTWFBQDNZXUBAW-XQQFMLRXSA-N 3 1 241.423 1.870 20 0 BDADMP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246309719 987709672 /nfs/dbraw/zinc/70/96/72/987709672.db2.gz SSJRWEWKSUUPNG-TZMCWYRMSA-N 2 1 242.407 1.617 20 0 BDADMP c1cnc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246313688 987714756 /nfs/dbraw/zinc/71/47/56/987714756.db2.gz SBHHCDBDKWOGIE-OUEWMDHJSA-N 2 1 243.354 1.942 20 0 BDADMP c1cnc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246313686 987715473 /nfs/dbraw/zinc/71/54/73/987715473.db2.gz SBHHCDBDKWOGIE-BTQFLJHSSA-N 2 1 243.354 1.942 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2Oc3ccccc3O2)CC[NH2+]1 ZINC001246328141 987734844 /nfs/dbraw/zinc/73/48/44/987734844.db2.gz XEGPYQKDQSMDLX-MNOVXSKESA-N 2 1 248.326 1.514 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCC2CCC(O)CC2)C[NH2+]1 ZINC001246333251 987743420 /nfs/dbraw/zinc/74/34/20/987743420.db2.gz KGIGFMVYIWKUPS-AHPWVWPOSA-N 2 1 240.391 1.658 20 0 BDADMP CC(C)[C@@H](N)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246335607 987746073 /nfs/dbraw/zinc/74/60/73/987746073.db2.gz ZXTLRKBYARBBDH-OLZOCXBDSA-N 2 1 239.407 1.482 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)CC[NH2+]1 ZINC001246346193 987756300 /nfs/dbraw/zinc/75/63/00/987756300.db2.gz ILBLFLDPTMFMFZ-KOLCDFICSA-N 2 1 223.295 1.451 20 0 BDADMP c1ccc2c(c1)NC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246355554 987765023 /nfs/dbraw/zinc/76/50/23/987765023.db2.gz JHPNZTFDDFECDS-CYBMUJFWSA-N 2 1 217.316 1.495 20 0 BDADMP Cc1cc2c(cn1)[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246367863 987772579 /nfs/dbraw/zinc/77/25/79/987772579.db2.gz AVMGYYXPNGQLQK-CQSZACIVSA-N 2 1 231.343 1.719 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246372338 987775691 /nfs/dbraw/zinc/77/56/91/987775691.db2.gz LEALCWMYOKZECJ-WOPDTQHZSA-N 3 1 225.380 1.105 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246371753 987775718 /nfs/dbraw/zinc/77/57/18/987775718.db2.gz JPYROPPBZWWNRA-ZGVCCVRISA-N 3 1 237.391 1.247 20 0 BDADMP CC(C)(C[NH2+][C@@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC001246387523 987781535 /nfs/dbraw/zinc/78/15/35/987781535.db2.gz GNYLWYOHTPFVHL-CQSZACIVSA-N 2 1 247.386 1.992 20 0 BDADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCNC1 ZINC001246396119 987783522 /nfs/dbraw/zinc/78/35/22/987783522.db2.gz BRRSZFNORJDKDI-IHRRRGAJSA-N 2 1 239.407 1.719 20 0 BDADMP CC(C)N([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001246396119 987783527 /nfs/dbraw/zinc/78/35/27/987783527.db2.gz BRRSZFNORJDKDI-IHRRRGAJSA-N 2 1 239.407 1.719 20 0 BDADMP c1ncn(CC2CC2)c1C[NH2+]C1CC[NH2+]CC1 ZINC001246427312 987795743 /nfs/dbraw/zinc/79/57/43/987795743.db2.gz KZVCFFKFPXYDLO-UHFFFAOYSA-N 2 1 234.347 1.135 20 0 BDADMP CSCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451405 987808462 /nfs/dbraw/zinc/80/84/62/987808462.db2.gz GDXRMIDZONFFCQ-NSHDSACASA-N 3 1 233.425 1.046 20 0 BDADMP CC1(C)CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246452640 987809012 /nfs/dbraw/zinc/80/90/12/987809012.db2.gz KVQXIOSGAGLEDM-LBPRGKRZSA-N 3 1 227.396 1.483 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001474756800 987818724 /nfs/dbraw/zinc/81/87/24/987818724.db2.gz MCLGHCQIIOLCCO-AAVRWANBSA-N 2 1 248.374 1.201 20 0 BDADMP c1ccc2c(c1)NC[C@H]2C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246475589 987831475 /nfs/dbraw/zinc/83/14/75/987831475.db2.gz UZHBGTMDGOHLPD-NEPJUHHUSA-N 2 1 231.343 1.537 20 0 BDADMP [NH3+]Cc1ccc(CCN[C@H]2CCC[NH2+]C2)cc1 ZINC001246483795 987842069 /nfs/dbraw/zinc/84/20/69/987842069.db2.gz OLLDJWDFCDMAQD-AWEZNQCLSA-N 2 1 233.359 1.029 20 0 BDADMP CCCC(CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488233 987843548 /nfs/dbraw/zinc/84/35/48/987843548.db2.gz JEEAXHICHJSEMP-LBPRGKRZSA-N 2 1 213.369 1.106 20 0 BDADMP C[NH2+]CC[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246493313 987846251 /nfs/dbraw/zinc/84/62/51/987846251.db2.gz YAVIZLIYSZQXKC-MNOVXSKESA-N 3 1 249.349 1.209 20 0 BDADMP Cc1ccc([C@@H](CO)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246500092 987852507 /nfs/dbraw/zinc/85/25/07/987852507.db2.gz OKTMOBFGDMNSOX-AEGPPILISA-N 2 1 248.370 1.759 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3nccn3c2)CC[NH2+]1 ZINC001246497831 987853408 /nfs/dbraw/zinc/85/34/08/987853408.db2.gz YPCGPIVEKGLPEZ-WCQYABFASA-N 2 1 244.342 1.564 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@@]2(C)CCCOC2)C[NH2+]1 ZINC001246514055 987864925 /nfs/dbraw/zinc/86/49/25/987864925.db2.gz ZTPREVAEFLQEPT-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP C1CC2(C[NH2+]1)CCC([N@H+]1CCCNCC1)CC2 ZINC001246526579 987877886 /nfs/dbraw/zinc/87/78/86/987877886.db2.gz ZLSDOXZRDPONTK-UHFFFAOYSA-N 2 1 237.391 1.204 20 0 BDADMP C1CC2(C[NH2+]1)CCC(N1CCC[NH2+]CC1)CC2 ZINC001246526579 987877890 /nfs/dbraw/zinc/87/78/90/987877890.db2.gz ZLSDOXZRDPONTK-UHFFFAOYSA-N 2 1 237.391 1.204 20 0 BDADMP [NH3+]CCCc1[nH+]ccn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246528870 987882000 /nfs/dbraw/zinc/88/20/00/987882000.db2.gz ZNEXDZPSAGQUBA-FOSCPWQOSA-N 3 1 234.347 1.230 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246527390 987883701 /nfs/dbraw/zinc/88/37/01/987883701.db2.gz TZTGIXLJTABKGZ-AAVRWANBSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]1 ZINC001246527390 987883706 /nfs/dbraw/zinc/88/37/06/987883706.db2.gz TZTGIXLJTABKGZ-AAVRWANBSA-N 2 1 238.375 1.628 20 0 BDADMP CCC[N@@H+](CC1CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246531839 987888102 /nfs/dbraw/zinc/88/81/02/987888102.db2.gz NYIFHGJVILVPOH-ZDUSSCGKSA-N 2 1 237.391 1.202 20 0 BDADMP CCSC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246538306 987898696 /nfs/dbraw/zinc/89/86/96/987898696.db2.gz AWMZEIWFYBJBRI-QWRGUYRKSA-N 2 1 216.394 1.941 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)C[C@H]1C[NH3+] ZINC001246540599 987903892 /nfs/dbraw/zinc/90/38/92/987903892.db2.gz JZJHKEFXXHPXBE-FIQHERPVSA-N 2 1 236.359 1.271 20 0 BDADMP C[C@H]1C[N@H+]([C@H]2CCCSC2)C[C@H]1C[NH3+] ZINC001246542244 987908942 /nfs/dbraw/zinc/90/89/42/987908942.db2.gz NZHGKQOZUBGAQC-AXFHLTTASA-N 2 1 214.378 1.409 20 0 BDADMP C[C@H](CC1CC1)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246543903 987914739 /nfs/dbraw/zinc/91/47/39/987914739.db2.gz OVCXTVZXQUBORI-DGCLKSJQSA-N 2 1 226.364 1.351 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546841 987926978 /nfs/dbraw/zinc/92/69/78/987926978.db2.gz ATXGFRVJFFJRQU-ZIAGYGMSSA-N 2 1 239.407 1.674 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546841 987926987 /nfs/dbraw/zinc/92/69/87/987926987.db2.gz ATXGFRVJFFJRQU-ZIAGYGMSSA-N 3 1 239.407 1.674 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546841 987926993 /nfs/dbraw/zinc/92/69/93/987926993.db2.gz ATXGFRVJFFJRQU-ZIAGYGMSSA-N 3 1 239.407 1.674 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546841 987927005 /nfs/dbraw/zinc/92/70/05/987927005.db2.gz ATXGFRVJFFJRQU-ZIAGYGMSSA-N 3 1 239.407 1.674 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246546841 987927014 /nfs/dbraw/zinc/92/70/14/987927014.db2.gz ATXGFRVJFFJRQU-ZIAGYGMSSA-N 3 1 239.407 1.674 20 0 BDADMP COC(=O)CC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246549403 987937642 /nfs/dbraw/zinc/93/76/42/987937642.db2.gz XCNNXYJSHYHUGG-DCAQKATOSA-N 2 1 228.336 1.140 20 0 BDADMP COC(=O)CC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246549403 987937647 /nfs/dbraw/zinc/93/76/47/987937647.db2.gz XCNNXYJSHYHUGG-DCAQKATOSA-N 2 1 228.336 1.140 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550394 987944810 /nfs/dbraw/zinc/94/48/10/987944810.db2.gz PFKDTHRUEPOUPK-JHJVBQTASA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550394 987944816 /nfs/dbraw/zinc/94/48/16/987944816.db2.gz PFKDTHRUEPOUPK-JHJVBQTASA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1[C@H](N)CC[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246550394 987944822 /nfs/dbraw/zinc/94/48/22/987944822.db2.gz PFKDTHRUEPOUPK-JHJVBQTASA-N 2 1 237.391 1.330 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001246551598 987951557 /nfs/dbraw/zinc/95/15/57/987951557.db2.gz UJEFCPIINPUPMV-SYCZCVCYSA-N 2 1 237.391 1.423 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553456 987958926 /nfs/dbraw/zinc/95/89/26/987958926.db2.gz SJPZZPIPAWNCTD-GHMZBOCLSA-N 2 1 200.326 1.225 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554572 987962976 /nfs/dbraw/zinc/96/29/76/987962976.db2.gz WPAILHBBSMCLQY-STQMWFEESA-N 2 1 225.380 1.284 20 0 BDADMP CCN1CC[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554572 987962985 /nfs/dbraw/zinc/96/29/85/987962985.db2.gz WPAILHBBSMCLQY-STQMWFEESA-N 2 1 225.380 1.284 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554572 987962991 /nfs/dbraw/zinc/96/29/91/987962991.db2.gz WPAILHBBSMCLQY-STQMWFEESA-N 2 1 225.380 1.284 20 0 BDADMP C[C@@H]1CC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[C@@H]1C[NH3+] ZINC001246557395 987976621 /nfs/dbraw/zinc/97/66/21/987976621.db2.gz LMCASZDJVSFKQE-ARJVPZMDSA-N 3 1 249.402 1.352 20 0 BDADMP CCN1CC[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246560270 987980334 /nfs/dbraw/zinc/98/03/34/987980334.db2.gz QFCNVQKIQCYVOG-QWHCGFSZSA-N 2 1 243.370 1.234 20 0 BDADMP CC[N@@H+]1CC[C@H](N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246560270 987980355 /nfs/dbraw/zinc/98/03/55/987980355.db2.gz QFCNVQKIQCYVOG-QWHCGFSZSA-N 2 1 243.370 1.234 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246560270 987980365 /nfs/dbraw/zinc/98/03/65/987980365.db2.gz QFCNVQKIQCYVOG-QWHCGFSZSA-N 2 1 243.370 1.234 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1N ZINC001246559821 987980889 /nfs/dbraw/zinc/98/08/89/987980889.db2.gz FBRJKWPLMSXIGB-XJFOESAGSA-N 2 1 237.391 1.188 20 0 BDADMP CCN1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C1 ZINC001246560107 987982250 /nfs/dbraw/zinc/98/22/50/987982250.db2.gz PONYWERFHWPMQD-MJBXVCDLSA-N 2 1 239.407 1.387 20 0 BDADMP N[C@@H]1C[N@H+](C2CCCCCCC2)C[C@H]1O ZINC001246560973 987992090 /nfs/dbraw/zinc/99/20/90/987992090.db2.gz WIKCNGNYDWAUPX-VXGBXAGGSA-N 2 1 212.337 1.103 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC[NH2+]1 ZINC001246563925 988011469 /nfs/dbraw/zinc/01/14/69/988011469.db2.gz YHIVVAFXSXOVBQ-REWJHTLYSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[N@@H+]([C@H]2CCCCNC2)CCC[C@H]1C[NH3+] ZINC001246564741 988017863 /nfs/dbraw/zinc/01/78/63/988017863.db2.gz GJXRQVYCSQZCQT-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCCCNC2)CCC[C@H]1C[NH3+] ZINC001246564741 988017886 /nfs/dbraw/zinc/01/78/86/988017886.db2.gz GJXRQVYCSQZCQT-RDBSUJKOSA-N 2 1 239.407 1.435 20 0 BDADMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246564517 988019486 /nfs/dbraw/zinc/01/94/86/988019486.db2.gz XQGIKSBYTOBIFQ-AGIUHOORSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CN1 ZINC001246564205 988020661 /nfs/dbraw/zinc/02/06/61/988020661.db2.gz FXGNEGGAGLFIOE-CRWXNKLISA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CN1 ZINC001246564205 988020678 /nfs/dbraw/zinc/02/06/78/988020678.db2.gz FXGNEGGAGLFIOE-CRWXNKLISA-N 2 1 239.407 1.434 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC001118122498 988021828 /nfs/dbraw/zinc/02/18/28/988021828.db2.gz YMXWKWXMBLZEDE-ZJUUUORDSA-N 2 1 236.363 1.742 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566547 988028515 /nfs/dbraw/zinc/02/85/15/988028515.db2.gz SEDUXZNRRXTTMT-WOPDTQHZSA-N 2 1 214.353 1.471 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246566547 988028538 /nfs/dbraw/zinc/02/85/38/988028538.db2.gz SEDUXZNRRXTTMT-WOPDTQHZSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)COCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566126 988030553 /nfs/dbraw/zinc/03/05/53/988030553.db2.gz FUXXTBGYNUONMK-JHJVBQTASA-N 2 1 228.380 1.717 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246566126 988030571 /nfs/dbraw/zinc/03/05/71/988030571.db2.gz FUXXTBGYNUONMK-JHJVBQTASA-N 2 1 228.380 1.717 20 0 BDADMP C[C@@H]1C[N@H+](C2CCN(C)CC2)CCC[C@H]1C[NH3+] ZINC001246569683 988050612 /nfs/dbraw/zinc/05/06/12/988050612.db2.gz RVCLFHKNEKGQDS-OLZOCXBDSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC[C@H]1C[NH3+] ZINC001246569683 988050630 /nfs/dbraw/zinc/05/06/30/988050630.db2.gz RVCLFHKNEKGQDS-OLZOCXBDSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CCC[C@H]1C[NH3+] ZINC001246569683 988050645 /nfs/dbraw/zinc/05/06/45/988050645.db2.gz RVCLFHKNEKGQDS-OLZOCXBDSA-N 3 1 239.407 1.387 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](N)[C@@H](F)CC2)CCO1 ZINC001246570947 988053230 /nfs/dbraw/zinc/05/32/30/988053230.db2.gz QUJQVLMMIPILMO-WHOHXGKFSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246570947 988053244 /nfs/dbraw/zinc/05/32/44/988053244.db2.gz QUJQVLMMIPILMO-WHOHXGKFSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCO1 ZINC001246570947 988053260 /nfs/dbraw/zinc/05/32/60/988053260.db2.gz QUJQVLMMIPILMO-WHOHXGKFSA-N 2 1 230.327 1.315 20 0 BDADMP C[C@]1(CF)CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC001246576616 988078026 /nfs/dbraw/zinc/07/80/26/988078026.db2.gz LVINYFZXCCYERD-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP C[C@]1(CF)CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC001246576616 988078042 /nfs/dbraw/zinc/07/80/42/988078042.db2.gz LVINYFZXCCYERD-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CO1 ZINC001246574140 988074442 /nfs/dbraw/zinc/07/44/42/988074442.db2.gz DHGFDBXYNUGPNC-WCQYABFASA-N 2 1 244.354 1.707 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CO1 ZINC001246574140 988074462 /nfs/dbraw/zinc/07/44/62/988074462.db2.gz DHGFDBXYNUGPNC-WCQYABFASA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCOCC2)CC1 ZINC001246576655 988082475 /nfs/dbraw/zinc/08/24/75/988082475.db2.gz MFRJSGZUIJXAIN-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP CC[C@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246582499 988110053 /nfs/dbraw/zinc/11/00/53/988110053.db2.gz ZSZKXBDZDYLCPH-QJPTWQEYSA-N 2 1 214.353 1.063 20 0 BDADMP COC(=O)CC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246581970 988117825 /nfs/dbraw/zinc/11/78/25/988117825.db2.gz LTLJAXORMFMKDI-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246586418 988144545 /nfs/dbraw/zinc/14/45/45/988144545.db2.gz QFNCUKLFWVLWIJ-OUAUKWLOSA-N 2 1 246.420 1.158 20 0 BDADMP CCCCCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246589193 988158447 /nfs/dbraw/zinc/15/84/47/988158447.db2.gz ZJIWXNJURGZAOU-FRRDWIJNSA-N 2 1 228.380 1.597 20 0 BDADMP C[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246589854 988165461 /nfs/dbraw/zinc/16/54/61/988165461.db2.gz GZOAJSFRWIWDHP-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCCC[C@@](C)(C[NH3+])C2)C1 ZINC001246593393 988179258 /nfs/dbraw/zinc/17/92/58/988179258.db2.gz MSEPVVWXXIOOIK-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 ZINC001246594381 988187054 /nfs/dbraw/zinc/18/70/54/988187054.db2.gz QIULNFJFAMKGCA-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@H]1CCCCN([C@@H]2CCC[NH2+]CC2)C1 ZINC001246594381 988187065 /nfs/dbraw/zinc/18/70/65/988187065.db2.gz QIULNFJFAMKGCA-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC([NH3+])C3)CC2)C[NH2+]1 ZINC001246600779 988207018 /nfs/dbraw/zinc/20/70/18/988207018.db2.gz IFYIBCURKFGZBX-AAEUAGOBSA-N 3 1 237.391 1.330 20 0 BDADMP CCCC[C@H](C)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246604141 988215087 /nfs/dbraw/zinc/21/50/87/988215087.db2.gz NHBAQRCDGLPPDX-ZDUSSCGKSA-N 2 1 239.407 1.593 20 0 BDADMP C1C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246608807 988222861 /nfs/dbraw/zinc/22/28/61/988222861.db2.gz JYHHTOJUEUCJMF-CBBWQLFWSA-N 2 1 249.402 1.202 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618525 988252351 /nfs/dbraw/zinc/25/23/51/988252351.db2.gz LQLYAAPFAFINLG-XUXIUFHCSA-N 2 1 237.391 1.201 20 0 BDADMP CCC[C@H](CC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246622761 988263507 /nfs/dbraw/zinc/26/35/07/988263507.db2.gz INFYVVUMSBXFIE-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP CC[C@@H]1C[C@@H](N2CCC(F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246630096 988309848 /nfs/dbraw/zinc/30/98/48/988309848.db2.gz RSDSRLLIUNORGA-NEPJUHHUSA-N 2 1 243.370 1.280 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCOC3)C2)CC[NH2+]1 ZINC001246645507 988362782 /nfs/dbraw/zinc/36/27/82/988362782.db2.gz BSJWYXHYNVWVKC-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP C1CC2(C[NH2+]1)CCC([N@H+]1CC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246648352 988372814 /nfs/dbraw/zinc/37/28/14/988372814.db2.gz XUIHQJYABJQXGI-FGZQJIAISA-N 3 1 249.402 1.202 20 0 BDADMP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3CCC[C@H]3C1)CCN2 ZINC001246655842 988383807 /nfs/dbraw/zinc/38/38/07/988383807.db2.gz LQBYEQZQJNVWLN-RDBSUJKOSA-N 2 1 249.402 1.202 20 0 BDADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660675 988390361 /nfs/dbraw/zinc/39/03/61/988390361.db2.gz IVDFXZKWGJUXKH-XGFWRYKXSA-N 3 1 237.391 1.186 20 0 BDADMP CCCC[C@@H]1C[C@H](N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660675 988390372 /nfs/dbraw/zinc/39/03/72/988390372.db2.gz IVDFXZKWGJUXKH-XGFWRYKXSA-N 2 1 237.391 1.186 20 0 BDADMP CCCC[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660674 988392463 /nfs/dbraw/zinc/39/24/63/988392463.db2.gz IVDFXZKWGJUXKH-VJTDZRGJSA-N 3 1 237.391 1.186 20 0 BDADMP CCCC[C@H]1C[C@H](N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)CC[NH2+]1 ZINC001246660674 988392471 /nfs/dbraw/zinc/39/24/71/988392471.db2.gz IVDFXZKWGJUXKH-VJTDZRGJSA-N 2 1 237.391 1.186 20 0 BDADMP C[C@H]1CNCC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246675857 988421144 /nfs/dbraw/zinc/42/11/44/988421144.db2.gz YOIXEGOZXJYYTJ-BFHYXJOUSA-N 2 1 237.391 1.202 20 0 BDADMP Oc1ccc2c(c1)CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246688291 988439111 /nfs/dbraw/zinc/43/91/11/988439111.db2.gz FSGYNTKCIAIVMW-UHFFFAOYSA-N 2 1 232.327 1.502 20 0 BDADMP Oc1ccc2c(c1)CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246688291 988439120 /nfs/dbraw/zinc/43/91/20/988439120.db2.gz FSGYNTKCIAIVMW-UHFFFAOYSA-N 2 1 232.327 1.502 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+](C3CC[NH2+]CC3)CC[C@H]2O1 ZINC001246692424 988442942 /nfs/dbraw/zinc/44/29/42/988442942.db2.gz HCKLEISOKNDSMM-GMXVVIOVSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+](C3CC[NH2+]CC3)CC[C@H]2O1 ZINC001246692424 988442949 /nfs/dbraw/zinc/44/29/49/988442949.db2.gz HCKLEISOKNDSMM-GMXVVIOVSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@H](C)[NH2+]C3)CC[C@H]2O1 ZINC001246699665 988446390 /nfs/dbraw/zinc/44/63/90/988446390.db2.gz YEWCUPXBLAJIEH-HTVCTNPSSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@H]3CC[C@H](C)[NH2+]C3)CC[C@H]2O1 ZINC001246699665 988446409 /nfs/dbraw/zinc/44/64/09/988446409.db2.gz YEWCUPXBLAJIEH-HTVCTNPSSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1CC[C@H](N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)C[NH2+]1 ZINC001246700458 988447235 /nfs/dbraw/zinc/44/72/35/988447235.db2.gz JBRFXEKOPLWZMZ-CRWXNKLISA-N 2 1 237.391 1.010 20 0 BDADMP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700458 988447239 /nfs/dbraw/zinc/44/72/39/988447239.db2.gz JBRFXEKOPLWZMZ-CRWXNKLISA-N 3 1 237.391 1.010 20 0 BDADMP C[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700458 988447246 /nfs/dbraw/zinc/44/72/46/988447246.db2.gz JBRFXEKOPLWZMZ-CRWXNKLISA-N 3 1 237.391 1.010 20 0 BDADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700458 988447251 /nfs/dbraw/zinc/44/72/51/988447251.db2.gz JBRFXEKOPLWZMZ-CRWXNKLISA-N 3 1 237.391 1.010 20 0 BDADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[NH2+]1 ZINC001246700458 988447254 /nfs/dbraw/zinc/44/72/54/988447254.db2.gz JBRFXEKOPLWZMZ-CRWXNKLISA-N 3 1 237.391 1.010 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cnccn2)CC[NH2+]1 ZINC001246798586 988478745 /nfs/dbraw/zinc/47/87/45/988478745.db2.gz VLZSUMCCWCXTLO-MBNYWOFBSA-N 2 1 246.358 1.754 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cnccn2)CC[NH2+]1 ZINC001246798586 988478753 /nfs/dbraw/zinc/47/87/53/988478753.db2.gz VLZSUMCCWCXTLO-MBNYWOFBSA-N 2 1 246.358 1.754 20 0 BDADMP CC1(C)CNCC[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246811077 988490243 /nfs/dbraw/zinc/49/02/43/988490243.db2.gz RKJSPDJNCDEMNJ-UHFFFAOYSA-N 2 1 237.391 1.202 20 0 BDADMP CC1(C)C[NH2+]CCN1C1CCC2(C[NH2+]C2)CC1 ZINC001246811077 988490254 /nfs/dbraw/zinc/49/02/54/988490254.db2.gz RKJSPDJNCDEMNJ-UHFFFAOYSA-N 2 1 237.391 1.202 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+]2CCCCC23COC3)CC[NH2+]1 ZINC001246808183 988491243 /nfs/dbraw/zinc/49/12/43/988491243.db2.gz RZBRNQHTIOFMHS-RYUDHWBXSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCCCC23COC3)CC[NH2+]1 ZINC001246808183 988491250 /nfs/dbraw/zinc/49/12/50/988491250.db2.gz RZBRNQHTIOFMHS-RYUDHWBXSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC3(F)F)C2)CC[NH2+]1 ZINC001246806237 988492328 /nfs/dbraw/zinc/49/23/28/988492328.db2.gz HDVMBYIRCBFAOE-MXWKQRLJSA-N 2 1 230.302 1.858 20 0 BDADMP COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246812332 988496645 /nfs/dbraw/zinc/49/66/45/988496645.db2.gz YUIFUENSWDECDY-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H]1C[C@H]([NH+]2CCC3(CCO3)CC2)CC[NH2+]1 ZINC001246832890 988529840 /nfs/dbraw/zinc/52/98/40/988529840.db2.gz CTXCHEOXWAGKLE-NWDGAFQWSA-N 2 1 224.348 1.382 20 0 BDADMP CC1(C)CC[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246849673 988561623 /nfs/dbraw/zinc/56/16/23/988561623.db2.gz AMKGETCEQBQFPP-GVXVVHGQSA-N 2 1 208.349 1.988 20 0 BDADMP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246850665 988563456 /nfs/dbraw/zinc/56/34/56/988563456.db2.gz CNFFIVJRCIIOCJ-NDBYEHHHSA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852775 988568059 /nfs/dbraw/zinc/56/80/59/988568059.db2.gz KPBQDLGEFMCYDL-DGTMBMJNSA-N 3 1 235.375 1.083 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246852775 988568066 /nfs/dbraw/zinc/56/80/66/988568066.db2.gz KPBQDLGEFMCYDL-DGTMBMJNSA-N 3 1 235.375 1.083 20 0 BDADMP C(OC[C@@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)C1)C1CC1 ZINC001246858098 988588416 /nfs/dbraw/zinc/58/84/16/988588416.db2.gz BAMBXFBCYIVCGH-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C(OC[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)C1)C1CC1 ZINC001246858098 988588444 /nfs/dbraw/zinc/58/84/44/988588444.db2.gz BAMBXFBCYIVCGH-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CC[NH2+]1 ZINC001246858364 988590202 /nfs/dbraw/zinc/59/02/02/988590202.db2.gz GASNYFMBGSQHJV-DGORSVRFSA-N 2 1 212.312 1.559 20 0 BDADMP CC(=O)[C@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246859595 988590258 /nfs/dbraw/zinc/59/02/58/988590258.db2.gz GGAWUBIBEOVSJT-RAIGVLPGSA-N 2 1 224.348 1.570 20 0 BDADMP CC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246859595 988590270 /nfs/dbraw/zinc/59/02/70/988590270.db2.gz GGAWUBIBEOVSJT-RAIGVLPGSA-N 2 1 224.348 1.570 20 0 BDADMP CC1CCC([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC1 ZINC001246858759 988593008 /nfs/dbraw/zinc/59/30/08/988593008.db2.gz HALQDEIOLVFRSV-HPCMXSDISA-N 2 1 238.375 1.471 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246865929 988617857 /nfs/dbraw/zinc/61/78/57/988617857.db2.gz DGPURFAPLSBFRI-GVXVVHGQSA-N 2 1 240.347 1.141 20 0 BDADMP COC(=O)CCCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246865929 988617867 /nfs/dbraw/zinc/61/78/67/988617867.db2.gz DGPURFAPLSBFRI-GVXVVHGQSA-N 2 1 240.347 1.141 20 0 BDADMP CSCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246869565 988628415 /nfs/dbraw/zinc/62/84/15/988628415.db2.gz MNJJOLZHMGDPIO-IVZWLZJFSA-N 2 1 200.351 1.161 20 0 BDADMP CSCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246869565 988628447 /nfs/dbraw/zinc/62/84/47/988628447.db2.gz MNJJOLZHMGDPIO-IVZWLZJFSA-N 2 1 200.351 1.161 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@@H]1C ZINC001246870896 988633487 /nfs/dbraw/zinc/63/34/87/988633487.db2.gz PSCDTHAYYMLWDX-MOLYVOAJSA-N 2 1 208.349 1.844 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@@H]1C ZINC001246870896 988633509 /nfs/dbraw/zinc/63/35/09/988633509.db2.gz PSCDTHAYYMLWDX-MOLYVOAJSA-N 2 1 208.349 1.844 20 0 BDADMP C[N@@H+](C1CC1)C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246873078 988635286 /nfs/dbraw/zinc/63/52/86/988635286.db2.gz DEUMLAIIEAPUMJ-CQSZACIVSA-N 2 1 237.391 1.297 20 0 BDADMP C[NH2+]C1CCC(N2[C@H](C)C[NH2+]C[C@H]2C)CC1 ZINC001246882024 988648062 /nfs/dbraw/zinc/64/80/62/988648062.db2.gz GRJYTLRKNHRAAD-OKZRHMCRSA-N 2 1 225.380 1.199 20 0 BDADMP C1[NH2+]CC12CCC([N@@H+]1C[C@H]3CCC[C@@H](C1)N3)CC2 ZINC001246881859 988648878 /nfs/dbraw/zinc/64/88/78/988648878.db2.gz NXXFOQYIELCNMM-BETUJISGSA-N 2 1 249.402 1.345 20 0 BDADMP CC[N@H+](CCNC)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246890716 988658630 /nfs/dbraw/zinc/65/86/30/988658630.db2.gz KVNGMMMKTXVKMY-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CCNC)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246890716 988658637 /nfs/dbraw/zinc/65/86/37/988658637.db2.gz KVNGMMMKTXVKMY-UONOGXRCSA-N 2 1 239.407 1.450 20 0 BDADMP CC[C@@H]1CC([N@@H+](C)CCCC[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246890577 988660174 /nfs/dbraw/zinc/66/01/74/988660174.db2.gz IKVDNDKSPMDCAS-CHWSQXEVSA-N 3 1 241.423 1.966 20 0 BDADMP CCC[C@H]1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1 ZINC001246896861 988671012 /nfs/dbraw/zinc/67/10/12/988671012.db2.gz BKKYUFAFPQQNRY-CRWXNKLISA-N 2 1 237.391 1.058 20 0 BDADMP CCC[C@H]1CN([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC001246896861 988671019 /nfs/dbraw/zinc/67/10/19/988671019.db2.gz BKKYUFAFPQQNRY-CRWXNKLISA-N 2 1 237.391 1.058 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1CN ZINC001246906821 988684423 /nfs/dbraw/zinc/68/44/23/988684423.db2.gz BANGSNQCKCSGQS-ZIAGYGMSSA-N 2 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246906821 988684435 /nfs/dbraw/zinc/68/44/35/988684435.db2.gz BANGSNQCKCSGQS-ZIAGYGMSSA-N 3 1 241.423 1.920 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246906821 988684445 /nfs/dbraw/zinc/68/44/45/988684445.db2.gz BANGSNQCKCSGQS-ZIAGYGMSSA-N 3 1 241.423 1.920 20 0 BDADMP C[N@@H+](CCO)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246911665 988699337 /nfs/dbraw/zinc/69/93/37/988699337.db2.gz IHPICQCMAQKWRM-HUUCEWRRSA-N 2 1 248.370 1.274 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246925070 988744945 /nfs/dbraw/zinc/74/49/45/988744945.db2.gz LKSMNKKTYCPKOQ-RQJABVFESA-N 2 1 237.391 1.058 20 0 BDADMP C1C[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CS1 ZINC001246929172 988748271 /nfs/dbraw/zinc/74/82/71/988748271.db2.gz CGCQBNBQFKCYAG-GRYCIOLGSA-N 2 1 226.389 1.423 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@@H]1CCCSC1 ZINC001246935686 988766663 /nfs/dbraw/zinc/76/66/63/988766663.db2.gz WIXOQUWBQNKIFT-FRRDWIJNSA-N 2 1 240.416 1.813 20 0 BDADMP CC[N@@H+](C)C1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246948971 988788785 /nfs/dbraw/zinc/78/87/85/988788785.db2.gz HFVFKCFIWKGZRN-GXTWGEPZSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246979454 988810506 /nfs/dbraw/zinc/81/05/06/988810506.db2.gz ALQPQSMXWWNHJL-QWRGUYRKSA-N 2 1 202.342 1.469 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C(C)(C)C1 ZINC001246994570 988829309 /nfs/dbraw/zinc/82/93/09/988829309.db2.gz PVWKATVHCKEKMK-CHWSQXEVSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[C@@H]3[NH3+])CC2)C[NH2+]1 ZINC001247000704 988831032 /nfs/dbraw/zinc/83/10/32/988831032.db2.gz HGVIPDZEVIHONZ-UPJWGTAASA-N 3 1 237.391 1.330 20 0 BDADMP CC[N@H+]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC001246997928 988833921 /nfs/dbraw/zinc/83/39/21/988833921.db2.gz WDWGGQBVTRAPLR-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+](C3CCSCC3)C[C@@H]2C1 ZINC001247013121 988841411 /nfs/dbraw/zinc/84/14/11/988841411.db2.gz FVZISJGXGHJQIP-WCQYABFASA-N 2 1 240.416 1.956 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+](C3CCSCC3)C[C@@H]2C1 ZINC001247013121 988841412 /nfs/dbraw/zinc/84/14/12/988841412.db2.gz FVZISJGXGHJQIP-WCQYABFASA-N 2 1 240.416 1.956 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016400 988842916 /nfs/dbraw/zinc/84/29/16/988842916.db2.gz UUFLRNCFEQMMGF-IHRRRGAJSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@H+]1CCC[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016402 988845877 /nfs/dbraw/zinc/84/58/77/988845877.db2.gz UUFLRNCFEQMMGF-RDBSUJKOSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1cc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)ccn1 ZINC001247509048 988906302 /nfs/dbraw/zinc/90/63/02/988906302.db2.gz VBVOIVFYGLREIH-JTQLQIEISA-N 2 1 247.302 1.179 20 0 BDADMP Cc1cncc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247508348 988907228 /nfs/dbraw/zinc/90/72/28/988907228.db2.gz QRRFWBFBYQDNEW-SNVBAGLBSA-N 2 1 247.302 1.179 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(OC)c1F ZINC001325319063 989157268 /nfs/dbraw/zinc/15/72/68/989157268.db2.gz JJEKTAFUCPBXAU-SNVBAGLBSA-N 2 1 240.322 1.922 20 0 BDADMP Cc1nonc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001248858797 989199200 /nfs/dbraw/zinc/19/92/00/989199200.db2.gz FEOYKAGIEFSEEJ-UHFFFAOYSA-N 2 1 238.335 1.152 20 0 BDADMP Cc1nonc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001248858797 989199209 /nfs/dbraw/zinc/19/92/09/989199209.db2.gz FEOYKAGIEFSEEJ-UHFFFAOYSA-N 2 1 238.335 1.152 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC001326036494 989336845 /nfs/dbraw/zinc/33/68/45/989336845.db2.gz HRGSPGCTVHUCRU-FRRDWIJNSA-N 2 1 227.396 1.434 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC001326036494 989336850 /nfs/dbraw/zinc/33/68/50/989336850.db2.gz HRGSPGCTVHUCRU-FRRDWIJNSA-N 3 1 227.396 1.434 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC001326036494 989336854 /nfs/dbraw/zinc/33/68/54/989336854.db2.gz HRGSPGCTVHUCRU-FRRDWIJNSA-N 3 1 227.396 1.434 20 0 BDADMP [NH3+]C[C@H]([NH2+]CCc1ccc(F)cc1F)C1CC1 ZINC001326073910 989363655 /nfs/dbraw/zinc/36/36/55/989363655.db2.gz BAQYHURBQCPBQE-ZDUSSCGKSA-N 2 1 240.297 1.834 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC(C)(C)[NH3+])C[C@H]2C1 ZINC001120269335 989625108 /nfs/dbraw/zinc/62/51/08/989625108.db2.gz QCTKZWNISAAZRL-JHJVBQTASA-N 3 1 239.407 1.386 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](CC(C)(C)N)C[C@H]2C1 ZINC001120269335 989625114 /nfs/dbraw/zinc/62/51/14/989625114.db2.gz QCTKZWNISAAZRL-JHJVBQTASA-N 2 1 239.407 1.386 20 0 BDADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC(C)(C)N)C[C@H]2C1 ZINC001120269335 989625120 /nfs/dbraw/zinc/62/51/20/989625120.db2.gz QCTKZWNISAAZRL-JHJVBQTASA-N 2 1 239.407 1.386 20 0 BDADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC001326688030 989653827 /nfs/dbraw/zinc/65/38/27/989653827.db2.gz MZZSKYQQHYKABO-NEPJUHHUSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](O)C1CC1 ZINC001120569579 989737277 /nfs/dbraw/zinc/73/72/77/989737277.db2.gz BYNJXMYVYAFRPT-LBPRGKRZSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](Nc1cc(N)[nH+]cn1)C(C)(C)C[NH+](C)C ZINC001120902074 989959049 /nfs/dbraw/zinc/95/90/49/989959049.db2.gz IFGCRIGIXQSMNV-VIFPVBQESA-N 2 1 237.351 1.447 20 0 BDADMP C[C@H](Nc1cc(N)nc[nH+]1)C(C)(C)C[NH+](C)C ZINC001120902074 989959054 /nfs/dbraw/zinc/95/90/54/989959054.db2.gz IFGCRIGIXQSMNV-VIFPVBQESA-N 2 1 237.351 1.447 20 0 BDADMP CCOC(=O)CCC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001258105961 991015806 /nfs/dbraw/zinc/01/58/06/991015806.db2.gz VFOBLPUGDMYOLU-RYUDHWBXSA-N 2 1 242.363 1.531 20 0 BDADMP CC(C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001308556892 991035240 /nfs/dbraw/zinc/03/52/40/991035240.db2.gz NVWSJZTVCBUNHM-RYUDHWBXSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]1CC([N@H+](CC[NH3+])CCO)C[C@H](C)C1 ZINC001258152233 991035813 /nfs/dbraw/zinc/03/58/13/991035813.db2.gz UFTDJKLRIMTJQT-GHMZBOCLSA-N 2 1 214.353 1.064 20 0 BDADMP C[C@H]1CC([N@@H+](CC[NH3+])CCO)C[C@H](C)C1 ZINC001258152233 991035824 /nfs/dbraw/zinc/03/58/24/991035824.db2.gz UFTDJKLRIMTJQT-GHMZBOCLSA-N 2 1 214.353 1.064 20 0 BDADMP Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001308555394 991037464 /nfs/dbraw/zinc/03/74/64/991037464.db2.gz VOMWUDIWFOBCSF-SOUVJXGZSA-N 2 1 245.370 1.820 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccco1 ZINC001258181300 991079782 /nfs/dbraw/zinc/07/97/82/991079782.db2.gz MKNWUJUCMDNPSY-QWRGUYRKSA-N 2 1 210.321 1.737 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258321942 991247704 /nfs/dbraw/zinc/24/77/04/991247704.db2.gz UIBBNTHUZCSRSF-MNOVXSKESA-N 2 1 246.420 1.566 20 0 BDADMP CSC(C)(C)C[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258321942 991247716 /nfs/dbraw/zinc/24/77/16/991247716.db2.gz UIBBNTHUZCSRSF-MNOVXSKESA-N 2 1 246.420 1.566 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CCC(=O)OC ZINC001258346345 991272200 /nfs/dbraw/zinc/27/22/00/991272200.db2.gz BXKCOSMCJKDURY-NSHDSACASA-N 2 1 230.352 1.389 20 0 BDADMP CCCCC[C@@H](CC)[N@@H+](CC[NH3+])CCO ZINC001258429574 991350076 /nfs/dbraw/zinc/35/00/76/991350076.db2.gz ZBGPIBJUULOJNK-GFCCVEGCSA-N 2 1 216.369 1.598 20 0 BDADMP CCCCC[C@@H](CC)[N@H+](CC[NH3+])CCO ZINC001258429574 991350073 /nfs/dbraw/zinc/35/00/73/991350073.db2.gz ZBGPIBJUULOJNK-GFCCVEGCSA-N 2 1 216.369 1.598 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)CC1CC1 ZINC001258448653 991394939 /nfs/dbraw/zinc/39/49/39/991394939.db2.gz ONYDXAITWDIQEH-MWLCHTKSSA-N 2 1 228.336 1.045 20 0 BDADMP C[C@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)O1 ZINC001560186511 991406109 /nfs/dbraw/zinc/40/61/09/991406109.db2.gz ILOLHMPFQCTRCF-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)O1 ZINC001560186511 991406113 /nfs/dbraw/zinc/40/61/13/991406113.db2.gz ILOLHMPFQCTRCF-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)O1 ZINC001560186511 991406114 /nfs/dbraw/zinc/40/61/14/991406114.db2.gz ILOLHMPFQCTRCF-DGAVXFQQSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H](CC1CC1)N1CC[NH+](CCCC[NH3+])CC1 ZINC001258456882 991409432 /nfs/dbraw/zinc/40/94/32/991409432.db2.gz RHXZULOVVHCOOY-ZDUSSCGKSA-N 2 1 239.407 1.532 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC001560759748 991587038 /nfs/dbraw/zinc/58/70/38/991587038.db2.gz LKDFZVHMTHVKBA-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)C1 ZINC001561052894 991705042 /nfs/dbraw/zinc/70/50/42/991705042.db2.gz OCHPPFKFGFCHAP-ZWMSFMBMSA-N 2 1 208.349 1.715 20 0 BDADMP CC1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001561052891 991706176 /nfs/dbraw/zinc/70/61/76/991706176.db2.gz OCHPPFKFGFCHAP-BEZKJRAVSA-N 2 1 208.349 1.715 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001258766790 991728408 /nfs/dbraw/zinc/72/84/08/991728408.db2.gz AILQLYDHSJIQNY-STQMWFEESA-N 2 1 244.354 1.577 20 0 BDADMP CCC[NH+]1CCC([N@H+](CCCO)C(C)C)CC1 ZINC001258773956 991735885 /nfs/dbraw/zinc/73/58/85/991735885.db2.gz FTZLDJMQKIAIMN-UHFFFAOYSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH+]1CCC([N@@H+](CCCO)C(C)C)CC1 ZINC001258773956 991735895 /nfs/dbraw/zinc/73/58/95/991735895.db2.gz FTZLDJMQKIAIMN-UHFFFAOYSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)CCO)C1 ZINC001258817081 991833322 /nfs/dbraw/zinc/83/33/22/991833322.db2.gz MTSCGWYNYHAKLG-QWHCGFSZSA-N 2 1 228.380 1.469 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001258879181 991888914 /nfs/dbraw/zinc/88/89/14/991888914.db2.gz CNKAHEDFXPSOHA-NSHDSACASA-N 2 1 236.359 1.953 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ncon1 ZINC001258897286 991890746 /nfs/dbraw/zinc/89/07/46/991890746.db2.gz HQOXVYZPTPUGEV-NSHDSACASA-N 2 1 240.351 1.670 20 0 BDADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001258906496 991895349 /nfs/dbraw/zinc/89/53/49/991895349.db2.gz DEEHVWLXAHRTKP-GFCCVEGCSA-N 3 1 227.396 1.578 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCO)[C@@H](C)C1 ZINC001319604096 991907482 /nfs/dbraw/zinc/90/74/82/991907482.db2.gz QPFFFNSAJVRBPA-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCO)[C@@H](C)C1 ZINC001319604096 991907485 /nfs/dbraw/zinc/90/74/85/991907485.db2.gz QPFFFNSAJVRBPA-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCO)[C@@H](C)C1 ZINC001319604096 991907495 /nfs/dbraw/zinc/90/74/95/991907495.db2.gz QPFFFNSAJVRBPA-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+]1CCC[C@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC001319751997 991962547 /nfs/dbraw/zinc/96/25/47/991962547.db2.gz QFMAKHOOUNFWMF-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CCC[C@H](CN[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001319751997 991962559 /nfs/dbraw/zinc/96/25/59/991962559.db2.gz QFMAKHOOUNFWMF-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CCC[C@H](CN[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001319751997 991962576 /nfs/dbraw/zinc/96/25/76/991962576.db2.gz QFMAKHOOUNFWMF-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC001319751997 991962586 /nfs/dbraw/zinc/96/25/86/991962586.db2.gz QFMAKHOOUNFWMF-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC001319751997 991962605 /nfs/dbraw/zinc/96/26/05/991962605.db2.gz QFMAKHOOUNFWMF-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OC)c(F)c1 ZINC001261370600 992275250 /nfs/dbraw/zinc/27/52/50/992275250.db2.gz NYFDTVWBSFWFFV-JTQLQIEISA-N 2 1 240.322 1.922 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OC)c(F)c1 ZINC001261370601 992279647 /nfs/dbraw/zinc/27/96/47/992279647.db2.gz NYFDTVWBSFWFFV-SNVBAGLBSA-N 2 1 240.322 1.922 20 0 BDADMP C[N@H+](Cc1cccc2c[nH]nc21)CC(C)(C)[NH3+] ZINC001261578526 992400780 /nfs/dbraw/zinc/40/07/80/992400780.db2.gz GTHLFYXLCIZSHQ-UHFFFAOYSA-N 2 1 232.331 1.732 20 0 BDADMP C[N@@H+](Cc1cccc2c[nH]nc21)CC(C)(C)[NH3+] ZINC001261578526 992400786 /nfs/dbraw/zinc/40/07/86/992400786.db2.gz GTHLFYXLCIZSHQ-UHFFFAOYSA-N 2 1 232.331 1.732 20 0 BDADMP C([N@H+]1CCCC2(CC[NH2+]CC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001261648038 992443011 /nfs/dbraw/zinc/44/30/11/992443011.db2.gz PZIUUDZNISGYLZ-HIFRSBDPSA-N 3 1 249.402 1.062 20 0 BDADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C ZINC001573469114 992615446 /nfs/dbraw/zinc/61/54/46/992615446.db2.gz JIRCBKSPGATXLV-NXEZZACHSA-N 2 1 214.353 1.517 20 0 BDADMP C([N@H+]1CCC[C@H](C2CC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001574774416 992899116 /nfs/dbraw/zinc/89/91/16/992899116.db2.gz MUCOYNCAWSJGQI-MJBXVCDLSA-N 2 1 220.360 1.718 20 0 BDADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@@H]21 ZINC001574799795 992910968 /nfs/dbraw/zinc/91/09/68/992910968.db2.gz FQKULVDZOAJGIQ-GSZZWUTPSA-N 2 1 236.359 1.142 20 0 BDADMP CC(C)(C[NH3+])[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC001575317753 993010175 /nfs/dbraw/zinc/01/01/75/993010175.db2.gz IZZRFYNWCXSANC-JGVFFNPUSA-N 2 1 240.269 1.423 20 0 BDADMP CC(C)(C[NH3+])CNCC[N@H+]1CCCC(C)(C)C1 ZINC001575315680 993012492 /nfs/dbraw/zinc/01/24/92/993012492.db2.gz VPZXKONRWPEQKS-UHFFFAOYSA-N 2 1 241.423 1.683 20 0 BDADMP CC(C)(C[NH3+])C[NH2+]CCN1CCCC(C)(C)C1 ZINC001575315680 993012505 /nfs/dbraw/zinc/01/25/05/993012505.db2.gz VPZXKONRWPEQKS-UHFFFAOYSA-N 2 1 241.423 1.683 20 0 BDADMP CC(C)[C@H](O)CC[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001575472996 993050791 /nfs/dbraw/zinc/05/07/91/993050791.db2.gz RXIICZAYLFHGLP-OTTFEQOBSA-N 2 1 226.364 1.349 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001575472996 993050799 /nfs/dbraw/zinc/05/07/99/993050799.db2.gz RXIICZAYLFHGLP-OTTFEQOBSA-N 2 1 226.364 1.349 20 0 BDADMP CC(C)[C@H](O)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001575472978 993050825 /nfs/dbraw/zinc/05/08/25/993050825.db2.gz ROGJPFGAHPOYFH-YNEHKIRRSA-N 2 1 226.364 1.207 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001575473355 993052397 /nfs/dbraw/zinc/05/23/97/993052397.db2.gz UMNQUFIBOONIPI-GXTWGEPZSA-N 2 1 242.407 1.700 20 0 BDADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001575473357 993054761 /nfs/dbraw/zinc/05/47/61/993054761.db2.gz UMNQUFIBOONIPI-JSGCOSHPSA-N 2 1 242.407 1.700 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](N(C)CC23CC(C2)C[NH2+]3)C1 ZINC001575697292 993096104 /nfs/dbraw/zinc/09/61/04/993096104.db2.gz UJFWSBIIECZNBT-ROKHWSDSSA-N 2 1 237.391 1.153 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001575700053 993098887 /nfs/dbraw/zinc/09/88/87/993098887.db2.gz NLCSFNDQOZKFET-KGLIPLIRSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)OC1CC([NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001575750978 993104470 /nfs/dbraw/zinc/10/44/70/993104470.db2.gz PMZNQSMIRSGXLX-PQAZSJQKSA-N 2 1 238.375 1.817 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC001575828986 993109404 /nfs/dbraw/zinc/10/94/04/993109404.db2.gz TZCODAIYFUBBSG-AEJSXWLSSA-N 2 1 220.307 1.851 20 0 BDADMP C[C@H](c1csnn1)[N@H+](C)CC1CC[NH2+]CC1 ZINC001576315447 993255939 /nfs/dbraw/zinc/25/59/39/993255939.db2.gz KUVKUMGFYZIYGP-SECBINFHSA-N 2 1 240.376 1.531 20 0 BDADMP C[C@H](c1csnn1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC001576315447 993255943 /nfs/dbraw/zinc/25/59/43/993255943.db2.gz KUVKUMGFYZIYGP-SECBINFHSA-N 2 1 240.376 1.531 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001576315796 993256755 /nfs/dbraw/zinc/25/67/55/993256755.db2.gz LSSWQKKPZCHFQR-UTUOFQBUSA-N 2 1 232.331 1.079 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001576315796 993256771 /nfs/dbraw/zinc/25/67/71/993256771.db2.gz LSSWQKKPZCHFQR-UTUOFQBUSA-N 2 1 232.331 1.079 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)CC(C)C ZINC000379993864 993303352 /nfs/dbraw/zinc/30/33/52/993303352.db2.gz YZZOOZGDHQOROA-LBPRGKRZSA-N 2 1 216.369 1.277 20 0 BDADMP Cc1cccnc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000379939631 993298715 /nfs/dbraw/zinc/29/87/15/993298715.db2.gz WYUBNFWCSUNJIF-ZDUSSCGKSA-N 2 1 233.359 1.951 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC000380034370 993305939 /nfs/dbraw/zinc/30/59/39/993305939.db2.gz QAGWQEYIBUVLKJ-AWEZNQCLSA-N 2 1 240.391 1.864 20 0 BDADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C[C@@]1(C)CCCCO1)C2 ZINC001576503337 993320395 /nfs/dbraw/zinc/32/03/95/993320395.db2.gz OUHZKOZYKTWCBC-HZSPNIEDSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1C(=O)CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001576564620 993346333 /nfs/dbraw/zinc/34/63/33/993346333.db2.gz QUSVPNXNZXSWQM-QWRGUYRKSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H]1C(=O)CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001576564620 993346340 /nfs/dbraw/zinc/34/63/40/993346340.db2.gz QUSVPNXNZXSWQM-QWRGUYRKSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H]1[C@H](N(C)C)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576573609 993351744 /nfs/dbraw/zinc/35/17/44/993351744.db2.gz SNPPSLKXUNOBGT-WUHRBBMRSA-N 2 1 225.380 1.138 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1cn[nH]c1 ZINC000381006134 993361168 /nfs/dbraw/zinc/36/11/68/993361168.db2.gz QMIZTVSJZLHDBJ-LBPRGKRZSA-N 2 1 222.336 1.156 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@@H](O)C2)CC[NH2+]1 ZINC001576598590 993363973 /nfs/dbraw/zinc/36/39/73/993363973.db2.gz MTKBFSSVMPKPAS-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC001576608285 993367323 /nfs/dbraw/zinc/36/73/23/993367323.db2.gz PPCULUFFIOUDBN-KOLCDFICSA-N 2 1 221.304 1.099 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC001576623383 993373241 /nfs/dbraw/zinc/37/32/41/993373241.db2.gz KQBDHXUECULBAZ-GCHJQGSQSA-N 2 1 210.321 1.036 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CC1=NOCC1)CC[NH2+]CC2 ZINC001576637188 993378733 /nfs/dbraw/zinc/37/87/33/993378733.db2.gz HETCVTGXKUHDAY-NSHDSACASA-N 2 1 237.347 1.227 20 0 BDADMP C[C@@H]1CC2(CC([NH2+][C@H]3CC[NH2+][C@@H]3C)C2)CO1 ZINC001576636369 993380347 /nfs/dbraw/zinc/38/03/47/993380347.db2.gz JCNWKGPQBFJCNY-SRMYXAEUSA-N 2 1 224.348 1.284 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC000381323904 993385435 /nfs/dbraw/zinc/38/54/35/993385435.db2.gz QBRFFFWPUSBYNZ-RWMBFGLXSA-N 2 1 228.380 1.730 20 0 BDADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCC[NH2+]C1CC1 ZINC001576730986 993407738 /nfs/dbraw/zinc/40/77/38/993407738.db2.gz BPRBWXUQKRSAAB-DYEKYZERSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[N@H+](CC(C)(C)C[NH3+])C[C@@H]1F ZINC001576729763 993410520 /nfs/dbraw/zinc/41/05/20/993410520.db2.gz XYPMUVGIWZHSMZ-ZJUUUORDSA-N 2 1 202.317 1.651 20 0 BDADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH3+])C[C@@H]1F ZINC001576729763 993410523 /nfs/dbraw/zinc/41/05/23/993410523.db2.gz XYPMUVGIWZHSMZ-ZJUUUORDSA-N 2 1 202.317 1.651 20 0 BDADMP C[C@H]1C[N@H+](CC2CCC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576801010 993423802 /nfs/dbraw/zinc/42/38/02/993423802.db2.gz OVTKAFRKYDFUBJ-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]1C[N@@H+](CC2CCC2)C[C@]2(CC[NH2+]C2)O1 ZINC001576801010 993423805 /nfs/dbraw/zinc/42/38/05/993423805.db2.gz OVTKAFRKYDFUBJ-WCQYABFASA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@H+](CC2CCC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576801011 993428291 /nfs/dbraw/zinc/42/82/91/993428291.db2.gz OVTKAFRKYDFUBJ-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@@]2(CC[NH2+]C2)O1 ZINC001576801011 993428323 /nfs/dbraw/zinc/42/83/23/993428323.db2.gz OVTKAFRKYDFUBJ-YPMHNXCESA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382028573 993436105 /nfs/dbraw/zinc/43/61/05/993436105.db2.gz CCTUAMCFVLGZFV-UKRRQHHQSA-N 2 1 247.386 1.445 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000382028573 993436107 /nfs/dbraw/zinc/43/61/07/993436107.db2.gz CCTUAMCFVLGZFV-UKRRQHHQSA-N 2 1 247.386 1.445 20 0 BDADMP CC[C@@H](C)[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC001576961015 993469661 /nfs/dbraw/zinc/46/96/61/993469661.db2.gz KLHTZZWSPFYAET-NDBYEHHHSA-N 2 1 226.364 1.199 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC001576967717 993473524 /nfs/dbraw/zinc/47/35/24/993473524.db2.gz WHLAJIBDDNPSRV-WHOHXGKFSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC001576967717 993473526 /nfs/dbraw/zinc/47/35/26/993473526.db2.gz WHLAJIBDDNPSRV-WHOHXGKFSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001576996405 993482345 /nfs/dbraw/zinc/48/23/45/993482345.db2.gz FEQMPEZWRXHICO-QJPTWQEYSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CC[NH2+]C2)C1 ZINC001576996405 993482348 /nfs/dbraw/zinc/48/23/48/993482348.db2.gz FEQMPEZWRXHICO-QJPTWQEYSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@@H](C)C[C@H]([NH2+]C1CC(C[NH3+])C1)C(=O)OC ZINC001576985409 993483083 /nfs/dbraw/zinc/48/30/83/993483083.db2.gz VPHFFQZPUVKXIX-YYJSSNLHSA-N 2 1 242.363 1.291 20 0 BDADMP CCC(CC)(C[NH3+])C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC001577051640 993489793 /nfs/dbraw/zinc/48/97/93/993489793.db2.gz WCENSGOJDFLHSB-WCQYABFASA-N 2 1 226.364 1.208 20 0 BDADMP CC[C@@H](CCO)C[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577077815 993496108 /nfs/dbraw/zinc/49/61/08/993496108.db2.gz XDERMBDTTMBICN-IUCAKERBSA-N 2 1 242.285 1.264 20 0 BDADMP CC[C@H](CO)[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001577090100 993498863 /nfs/dbraw/zinc/49/88/63/993498863.db2.gz PKQVVAFVISCWLI-YNEHKIRRSA-N 2 1 226.364 1.208 20 0 BDADMP CC[C@H](COC)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001577093062 993504121 /nfs/dbraw/zinc/50/41/21/993504121.db2.gz NYUKWCWQGJPJLQ-JGVFFNPUSA-N 2 1 228.258 1.281 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743772 993512364 /nfs/dbraw/zinc/51/23/64/993512364.db2.gz ISJIXHPBOTYFPK-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743772 993512372 /nfs/dbraw/zinc/51/23/72/993512372.db2.gz ISJIXHPBOTYFPK-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743772 993512382 /nfs/dbraw/zinc/51/23/82/993512382.db2.gz ISJIXHPBOTYFPK-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CCC[C@H](N2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743772 993512395 /nfs/dbraw/zinc/51/23/95/993512395.db2.gz ISJIXHPBOTYFPK-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCCC[C@H](C[NH3+])C2)CC1 ZINC000383743772 993512406 /nfs/dbraw/zinc/51/24/06/993512406.db2.gz ISJIXHPBOTYFPK-KGLIPLIRSA-N 2 1 239.407 1.532 20 0 BDADMP C[NH+](C)CCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000383806335 993522178 /nfs/dbraw/zinc/52/21/78/993522178.db2.gz UNSVQOKSHACIKK-UHFFFAOYSA-N 3 1 239.407 1.545 20 0 BDADMP CCn1nccc1C[NH2+]CCn1cc[nH+]c1C ZINC000384129676 993547940 /nfs/dbraw/zinc/54/79/40/993547940.db2.gz JJVDICXJZVDKKC-UHFFFAOYSA-N 2 1 233.319 1.198 20 0 BDADMP CCC[C@@H](C)[C@@H](CO)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001577335783 993597114 /nfs/dbraw/zinc/59/71/14/993597114.db2.gz BQMPXZRKZOEZEC-IJLUTSLNSA-N 2 1 214.353 1.125 20 0 BDADMP CCC[C@]1(CO)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC001577371777 993630659 /nfs/dbraw/zinc/63/06/59/993630659.db2.gz LODVRSPGWKKYHF-AWEZNQCLSA-N 2 1 240.391 1.613 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH2+]C ZINC001577444726 993662221 /nfs/dbraw/zinc/66/22/21/993662221.db2.gz DTKHRJHDCXVFIN-GFCCVEGCSA-N 2 1 243.395 1.223 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](CC)[NH2+]C ZINC001577510175 993677629 /nfs/dbraw/zinc/67/76/29/993677629.db2.gz DULJRNRMPFNWCF-VXGBXAGGSA-N 2 1 243.395 1.221 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001577535770 993680467 /nfs/dbraw/zinc/68/04/67/993680467.db2.gz HMSKBFBYBWFGKO-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001577535770 993680456 /nfs/dbraw/zinc/68/04/56/993680456.db2.gz HMSKBFBYBWFGKO-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP C[NH+]1CCC([NH2+][C@H](CO)C2CCCCC2)CC1 ZINC000386263448 993686132 /nfs/dbraw/zinc/68/61/32/993686132.db2.gz NELGIZJMTBIGRX-CQSZACIVSA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@@H+](C)[C@@H]1CCN(C[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC001577654714 993711630 /nfs/dbraw/zinc/71/16/30/993711630.db2.gz GUIVDPCXFVXWEO-GHMZBOCLSA-N 2 1 247.333 1.010 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H]2C2CC2)CC1 ZINC000390005695 993770536 /nfs/dbraw/zinc/77/05/36/993770536.db2.gz WLHSLBGUEDCEQV-XQQFMLRXSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]23CCOC3)C[NH2+]1 ZINC000390122609 993775141 /nfs/dbraw/zinc/77/51/41/993775141.db2.gz GMVCEDPPBGLHMI-JHJVBQTASA-N 2 1 224.348 1.382 20 0 BDADMP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]23CCOC3)C[NH2+]1 ZINC000390122609 993775150 /nfs/dbraw/zinc/77/51/50/993775150.db2.gz GMVCEDPPBGLHMI-JHJVBQTASA-N 2 1 224.348 1.382 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC000700770636 993850399 /nfs/dbraw/zinc/85/03/99/993850399.db2.gz FEJGOOLQEHSXNY-ZDUSSCGKSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC000700770636 993850402 /nfs/dbraw/zinc/85/04/02/993850402.db2.gz FEJGOOLQEHSXNY-ZDUSSCGKSA-N 2 1 237.322 1.795 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@](C)(CO)C2)C1 ZINC000702110318 993967397 /nfs/dbraw/zinc/96/73/97/993967397.db2.gz UFRCEXHADDUAAJ-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@](C)(CO)C2)C1 ZINC000702110318 993967407 /nfs/dbraw/zinc/96/74/07/993967407.db2.gz UFRCEXHADDUAAJ-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@](C)(CO)C2)C1 ZINC000702110318 993967416 /nfs/dbraw/zinc/96/74/16/993967416.db2.gz UFRCEXHADDUAAJ-STQMWFEESA-N 2 1 226.364 1.033 20 0 BDADMP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)C1 ZINC000393621872 993971968 /nfs/dbraw/zinc/97/19/68/993971968.db2.gz WGQKHJKWMXZHKA-GFCCVEGCSA-N 2 1 213.369 1.012 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)C1 ZINC000393621872 993971975 /nfs/dbraw/zinc/97/19/75/993971975.db2.gz WGQKHJKWMXZHKA-GFCCVEGCSA-N 2 1 213.369 1.012 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)C1 ZINC000393621872 993971979 /nfs/dbraw/zinc/97/19/79/993971979.db2.gz WGQKHJKWMXZHKA-GFCCVEGCSA-N 2 1 213.369 1.012 20 0 BDADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)C1 ZINC000393621872 993971986 /nfs/dbraw/zinc/97/19/86/993971986.db2.gz WGQKHJKWMXZHKA-GFCCVEGCSA-N 2 1 213.369 1.012 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cnccn2)C1 ZINC000393799425 994008907 /nfs/dbraw/zinc/00/89/07/994008907.db2.gz OHCABPMTOSPEGD-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cnccn2)C1 ZINC000393799425 994008914 /nfs/dbraw/zinc/00/89/14/994008914.db2.gz OHCABPMTOSPEGD-LLVKDONJSA-N 2 1 220.320 1.037 20 0 BDADMP C[C@@H]1C[N@H+](CC2(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000702793871 994048806 /nfs/dbraw/zinc/04/88/06/994048806.db2.gz BCEJMBMZTFMIFF-TZMCWYRMSA-N 2 1 230.355 1.997 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000702793871 994048816 /nfs/dbraw/zinc/04/88/16/994048816.db2.gz BCEJMBMZTFMIFF-TZMCWYRMSA-N 2 1 230.355 1.997 20 0 BDADMP Cc1cccnc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001332816929 994367223 /nfs/dbraw/zinc/36/72/23/994367223.db2.gz ZOWWKRHDPZUFFI-QWHCGFSZSA-N 2 1 233.359 1.807 20 0 BDADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC001308253878 995601125 /nfs/dbraw/zinc/60/11/25/995601125.db2.gz CTOAKDBNFFSCHZ-ZDUSSCGKSA-N 2 1 240.391 1.875 20 0 BDADMP CCN1CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000415012875 398154459 /nfs/dbraw/zinc/15/44/59/398154459.db2.gz XWRGXYRPMPQELS-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000422906081 398157214 /nfs/dbraw/zinc/15/72/14/398157214.db2.gz UECOTXCTSUZOLA-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000422906081 398157216 /nfs/dbraw/zinc/15/72/16/398157216.db2.gz UECOTXCTSUZOLA-JHJVBQTASA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1COc2ccccc2C1 ZINC000415088462 398157868 /nfs/dbraw/zinc/15/78/68/398157868.db2.gz XNWNMAFJVVBENR-UONOGXRCSA-N 2 1 248.370 1.953 20 0 BDADMP C[N@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746570 398168792 /nfs/dbraw/zinc/16/87/92/398168792.db2.gz VADZWMDYYPKYOO-PBWFPOADSA-N 2 1 231.343 1.796 20 0 BDADMP C[N@@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746570 398168795 /nfs/dbraw/zinc/16/87/95/398168795.db2.gz VADZWMDYYPKYOO-PBWFPOADSA-N 2 1 231.343 1.796 20 0 BDADMP CCc1nocc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000645151229 398179406 /nfs/dbraw/zinc/17/94/06/398179406.db2.gz FBRANUKSLOCXEI-NSHDSACASA-N 2 1 246.314 1.538 20 0 BDADMP Cc1nccn1CC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907560 398180701 /nfs/dbraw/zinc/18/07/01/398180701.db2.gz UVTGSOPRFQNXHD-NSHDSACASA-N 2 1 241.285 1.923 20 0 BDADMP Cc1nccn1CC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907559 398180866 /nfs/dbraw/zinc/18/08/66/398180866.db2.gz UVTGSOPRFQNXHD-LLVKDONJSA-N 2 1 241.285 1.923 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000415089746 398159942 /nfs/dbraw/zinc/15/99/42/398159942.db2.gz WTRNVPJLGUTOME-UHFFFAOYSA-N 2 1 245.330 1.094 20 0 BDADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000385956365 398193556 /nfs/dbraw/zinc/19/35/56/398193556.db2.gz DNZAVBPGNZRGEJ-KVSVUVNWSA-N 2 1 226.364 1.673 20 0 BDADMP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc(C)[nH+]1 ZINC000132473992 178119795 /nfs/dbraw/zinc/11/97/95/178119795.db2.gz BWOANGNUYSYXQI-NEPJUHHUSA-N 2 1 232.331 1.424 20 0 BDADMP Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc[nH+]1 ZINC000274814454 178120040 /nfs/dbraw/zinc/12/00/40/178120040.db2.gz YSVSNVOVMJPPAQ-TZMCWYRMSA-N 2 1 231.343 1.920 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000126077639 398218273 /nfs/dbraw/zinc/21/82/73/398218273.db2.gz RRFRWROSVANPPV-ZDUSSCGKSA-N 3 1 239.407 1.448 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cn[nH]c1 ZINC000649413541 398212038 /nfs/dbraw/zinc/21/20/38/398212038.db2.gz FZWRKXNQPCGAIT-UHFFFAOYSA-N 2 1 222.336 1.231 20 0 BDADMP C[N@@H+](CCCO)C1CC[NH+](CC2(C)CC2)CC1 ZINC000515954565 398213015 /nfs/dbraw/zinc/21/30/15/398213015.db2.gz OHAVNQSVYIQGDJ-UHFFFAOYSA-N 2 1 240.391 1.565 20 0 BDADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000386809864 398220424 /nfs/dbraw/zinc/22/04/24/398220424.db2.gz RPIGLNPZVMFZJJ-GXFFZTMASA-N 2 1 236.363 1.169 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070148613 398220843 /nfs/dbraw/zinc/22/08/43/398220843.db2.gz GSWYEACMRBCVSL-GFCCVEGCSA-N 2 1 237.347 1.995 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430557958 398227869 /nfs/dbraw/zinc/22/78/69/398227869.db2.gz OURMVGWDDXHEGA-LBPRGKRZSA-N 2 1 239.388 1.711 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000576584850 365632374 /nfs/dbraw/zinc/63/23/74/365632374.db2.gz PXOWKBNXOUOUHT-AVGNSLFASA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000576584850 365632379 /nfs/dbraw/zinc/63/23/79/365632379.db2.gz PXOWKBNXOUOUHT-AVGNSLFASA-N 3 1 225.380 1.045 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000390756817 398247186 /nfs/dbraw/zinc/24/71/86/398247186.db2.gz IIYBACMEANFYOM-VXGBXAGGSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@H]([NH2+][C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000306866859 259310486 /nfs/dbraw/zinc/31/04/86/259310486.db2.gz ONBYDEKPIJKHOZ-GUBZILKMSA-N 2 1 200.351 1.222 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ncc[nH]1 ZINC000286322698 538943865 /nfs/dbraw/zinc/94/38/65/538943865.db2.gz YBTDGPKKQCDRTI-SNVBAGLBSA-N 2 1 220.320 1.322 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ncc[nH]1 ZINC000286322698 538943866 /nfs/dbraw/zinc/94/38/66/538943866.db2.gz YBTDGPKKQCDRTI-SNVBAGLBSA-N 2 1 220.320 1.322 20 0 BDADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCOC1 ZINC000344330989 365684013 /nfs/dbraw/zinc/68/40/13/365684013.db2.gz OIQVDRRYAOOOLT-ZIAGYGMSSA-N 2 1 238.375 1.653 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCn2ccnc2)C1 ZINC000162096456 349563418 /nfs/dbraw/zinc/56/34/18/349563418.db2.gz JHFWVYXDCIGXDJ-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000162096456 349563421 /nfs/dbraw/zinc/56/34/21/349563421.db2.gz JHFWVYXDCIGXDJ-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000162096456 349563423 /nfs/dbraw/zinc/56/34/23/349563423.db2.gz JHFWVYXDCIGXDJ-CYBMUJFWSA-N 2 1 236.363 1.157 20 0 BDADMP C[C@H]1C[C@H]1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000381604049 398266343 /nfs/dbraw/zinc/26/63/43/398266343.db2.gz PDEDGMRZRFXHEJ-QWRGUYRKSA-N 2 1 208.349 1.859 20 0 BDADMP CCC(CC)[N@@H+](CCC[NH2+]C)CCOC ZINC000042681312 168372974 /nfs/dbraw/zinc/37/29/74/168372974.db2.gz PLQUFJFQPDUDQG-UHFFFAOYSA-N 2 1 216.369 1.733 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCOC1 ZINC000178704518 538954033 /nfs/dbraw/zinc/95/40/33/538954033.db2.gz IROORZDLJYHPTL-DGCLKSJQSA-N 2 1 237.347 1.596 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000583329754 342696910 /nfs/dbraw/zinc/69/69/10/342696910.db2.gz ANYQKHIJAVRJHR-GWCFXTLKSA-N 2 1 244.342 1.875 20 0 BDADMP CCCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1CN ZINC000165639857 361843072 /nfs/dbraw/zinc/84/30/72/361843072.db2.gz RYYNQYVAAYFDFT-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1CN ZINC000165639857 361843078 /nfs/dbraw/zinc/84/30/78/361843078.db2.gz RYYNQYVAAYFDFT-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165639857 361843084 /nfs/dbraw/zinc/84/30/84/361843084.db2.gz RYYNQYVAAYFDFT-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165639857 361843091 /nfs/dbraw/zinc/84/30/91/361843091.db2.gz RYYNQYVAAYFDFT-VXGBXAGGSA-N 2 1 214.353 1.615 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000583937442 342728613 /nfs/dbraw/zinc/72/86/13/342728613.db2.gz NCVIGRJXTAOGCY-QJPTWQEYSA-N 2 1 241.379 1.103 20 0 BDADMP CC(C)[NH+]1CCC(N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671739 538972127 /nfs/dbraw/zinc/97/21/27/538972127.db2.gz AEAJNPVYSVIWHT-AWEZNQCLSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040671739 538972128 /nfs/dbraw/zinc/97/21/28/538972128.db2.gz AEAJNPVYSVIWHT-AWEZNQCLSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CCOC ZINC000045693765 538993519 /nfs/dbraw/zinc/99/35/19/538993519.db2.gz ZOJLZHHUFRNVMR-NEPJUHHUSA-N 2 1 216.369 1.731 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CC2)CC[N@@H+]1C ZINC000381787364 539006884 /nfs/dbraw/zinc/00/68/84/539006884.db2.gz ZEUKQFRVYAQVIR-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CC2)CC[N@H+]1C ZINC000381787364 539006885 /nfs/dbraw/zinc/00/68/85/539006885.db2.gz ZEUKQFRVYAQVIR-RAIGVLPGSA-N 2 1 226.364 1.220 20 0 BDADMP C[N@H+]1CC[C@@H](NC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000335626075 136240739 /nfs/dbraw/zinc/24/07/39/136240739.db2.gz XDYWCVFTUKMIKG-UKRRQHHQSA-N 2 1 245.370 1.383 20 0 BDADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000335634085 136241832 /nfs/dbraw/zinc/24/18/32/136241832.db2.gz MBAJEZLMRACDHQ-ZIAGYGMSSA-N 2 1 248.374 1.242 20 0 BDADMP C[N@@H+](CCC[NH3+])CC[C@H]1CCCCO1 ZINC000382082873 398304818 /nfs/dbraw/zinc/30/48/18/398304818.db2.gz QNZCQNVNSSNSBC-LLVKDONJSA-N 2 1 200.326 1.226 20 0 BDADMP CCC[C@H](C[NH2+]CCn1cc[nH+]c1C)OC ZINC000382101380 398305243 /nfs/dbraw/zinc/30/52/43/398305243.db2.gz GTISETAYIIZRAK-GFCCVEGCSA-N 2 1 225.336 1.596 20 0 BDADMP C[NH+](C)CC1CC[NH+](Cc2ccon2)CC1 ZINC000351333402 136244392 /nfs/dbraw/zinc/24/43/92/136244392.db2.gz CHTHWEPUNXJHJS-UHFFFAOYSA-N 2 1 223.320 1.448 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@H]1CCOC1 ZINC000300361418 259326995 /nfs/dbraw/zinc/32/69/95/259326995.db2.gz DLPNGUFMUNWONJ-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385999320 342896119 /nfs/dbraw/zinc/89/61/19/342896119.db2.gz KIZAVDJXCZAMKT-IGQOVBAYSA-N 2 1 239.407 1.589 20 0 BDADMP C[NH+](C)C1CCC([NH2+]Cc2ccn[nH]2)CC1 ZINC000309911822 398326038 /nfs/dbraw/zinc/32/60/38/398326038.db2.gz NCIHZYJKZKCTMA-UHFFFAOYSA-N 2 1 222.336 1.372 20 0 BDADMP Cn1cncc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000246331767 398330671 /nfs/dbraw/zinc/33/06/71/398330671.db2.gz DSQMLXLVHOGHGT-LBPRGKRZSA-N 2 1 234.347 1.090 20 0 BDADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccnn1C ZINC000192244955 136250613 /nfs/dbraw/zinc/25/06/13/136250613.db2.gz NYMQBKNLJHALBC-NSHDSACASA-N 2 1 238.379 1.659 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000300360084 398343800 /nfs/dbraw/zinc/34/38/00/398343800.db2.gz SWPBKKKDAUYUAN-OLZOCXBDSA-N 2 1 228.380 1.874 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000351856752 136258059 /nfs/dbraw/zinc/25/80/59/136258059.db2.gz WATJLUKKLBQJAV-QWHCGFSZSA-N 2 1 247.386 1.922 20 0 BDADMP CCc1noc(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351853558 136258225 /nfs/dbraw/zinc/25/82/25/136258225.db2.gz PBDDZJGHUDDIKJ-KOLCDFICSA-N 2 1 237.347 1.715 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000383532140 362030681 /nfs/dbraw/zinc/03/06/81/362030681.db2.gz RGVKYRWUXGGQIG-WDEREUQCSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000383532140 362030687 /nfs/dbraw/zinc/03/06/87/362030687.db2.gz RGVKYRWUXGGQIG-WDEREUQCSA-N 2 1 235.331 1.259 20 0 BDADMP CSC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000576863787 365707157 /nfs/dbraw/zinc/70/71/57/365707157.db2.gz MJXTZSHDIRWLGR-VXGBXAGGSA-N 2 1 246.420 1.032 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000576881308 365712787 /nfs/dbraw/zinc/71/27/87/365712787.db2.gz YULQIDGKPCZJJC-HUUCEWRRSA-N 2 1 248.370 1.446 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000576881307 365712976 /nfs/dbraw/zinc/71/29/76/365712976.db2.gz YULQIDGKPCZJJC-GJZGRUSLSA-N 2 1 248.370 1.446 20 0 BDADMP COC[C@H](C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000120562390 343127192 /nfs/dbraw/zinc/12/71/92/343127192.db2.gz MPKLCWJWKGOZPX-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000634679504 343143514 /nfs/dbraw/zinc/14/35/14/343143514.db2.gz WXBDQRZPTDBPEM-STQMWFEESA-N 2 1 240.391 1.874 20 0 BDADMP C[N@H+](Cc1cccc(O)c1)CC1CC[NH2+]CC1 ZINC000094011065 343152507 /nfs/dbraw/zinc/15/25/07/343152507.db2.gz VRJAZXBXPZZVEW-UHFFFAOYSA-N 2 1 234.343 1.824 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000124538402 343162821 /nfs/dbraw/zinc/16/28/21/343162821.db2.gz VRNUFPBQMMVNIJ-ZWNOBZJWSA-N 2 1 247.342 1.097 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000124538402 343162824 /nfs/dbraw/zinc/16/28/24/343162824.db2.gz VRNUFPBQMMVNIJ-ZWNOBZJWSA-N 2 1 247.342 1.097 20 0 BDADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)CCO1 ZINC000634684617 343217695 /nfs/dbraw/zinc/21/76/95/343217695.db2.gz VWFGRLHWQHJTBY-MNOVXSKESA-N 2 1 249.358 1.814 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCO)CC[C@@H]21 ZINC000088091301 136284366 /nfs/dbraw/zinc/28/43/66/136284366.db2.gz YEAFRILIHGCUDH-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCO)CC[C@@H]21 ZINC000088091301 136284367 /nfs/dbraw/zinc/28/43/67/136284367.db2.gz YEAFRILIHGCUDH-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCO)CC[C@@H]21 ZINC000088091301 136284368 /nfs/dbraw/zinc/28/43/68/136284368.db2.gz YEAFRILIHGCUDH-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222934131 136278198 /nfs/dbraw/zinc/27/81/98/136278198.db2.gz SXSJSETXRGJOQE-RYUDHWBXSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H]1CC[C@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)O1 ZINC000634687818 343244744 /nfs/dbraw/zinc/24/47/44/343244744.db2.gz AKEORSITJWIDFK-LOWDOPEQSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)O1 ZINC000634688509 343248170 /nfs/dbraw/zinc/24/81/70/343248170.db2.gz VBFUBPYLCHSQQP-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000584058037 343309201 /nfs/dbraw/zinc/30/92/01/343309201.db2.gz GDWBZNLIUIFYHB-ZDUSSCGKSA-N 2 1 240.322 1.228 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000584058037 343309203 /nfs/dbraw/zinc/30/92/03/343309203.db2.gz GDWBZNLIUIFYHB-ZDUSSCGKSA-N 2 1 240.322 1.228 20 0 BDADMP c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000335636018 136300720 /nfs/dbraw/zinc/30/07/20/136300720.db2.gz SYTYKEJGYILEHP-KBPBESRZSA-N 2 1 245.370 1.903 20 0 BDADMP C(C1CC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335638039 136303119 /nfs/dbraw/zinc/30/31/19/136303119.db2.gz ZWWIKHWDARFXKY-STQMWFEESA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCSCC1 ZINC000335639517 136303635 /nfs/dbraw/zinc/30/36/35/136303635.db2.gz VIGJXCBXGJZTJB-MWLCHTKSSA-N 2 1 214.378 1.470 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccno2)[C@@H](C)C1 ZINC000569874463 323043408 /nfs/dbraw/zinc/04/34/08/323043408.db2.gz IHWSDQMJMXTUNR-WCQYABFASA-N 2 1 237.347 1.837 20 0 BDADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335643105 136309026 /nfs/dbraw/zinc/30/90/26/136309026.db2.gz NKVXUPFMMOKFMO-VXGBXAGGSA-N 2 1 232.327 1.504 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000349153676 136327075 /nfs/dbraw/zinc/32/70/75/136327075.db2.gz SGRKJOWXVSUKMH-STQMWFEESA-N 2 1 249.358 1.636 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@@H](C)C1 ZINC000247983823 136373576 /nfs/dbraw/zinc/37/35/76/136373576.db2.gz IQCAWIRCGCJZGF-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP COC[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000083397881 343480093 /nfs/dbraw/zinc/48/00/93/343480093.db2.gz XEFUEEFQOLKWJC-LBPRGKRZSA-N 2 1 214.353 1.341 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000310482320 343508830 /nfs/dbraw/zinc/50/88/30/343508830.db2.gz DESQBSZSOUMMEX-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000310482320 343508832 /nfs/dbraw/zinc/50/88/32/343508832.db2.gz DESQBSZSOUMMEX-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000310482320 343508835 /nfs/dbraw/zinc/50/88/35/343508835.db2.gz DESQBSZSOUMMEX-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000310482320 343508837 /nfs/dbraw/zinc/50/88/37/343508837.db2.gz DESQBSZSOUMMEX-MJBXVCDLSA-N 2 1 242.407 1.810 20 0 BDADMP COC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000570092902 323049897 /nfs/dbraw/zinc/04/98/97/323049897.db2.gz AVNRUJDLJLZNEM-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP NCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000084014245 343513898 /nfs/dbraw/zinc/51/38/98/343513898.db2.gz GRRABQLVJPWXAY-ZDUSSCGKSA-N 2 1 222.307 1.791 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCCC1 ZINC000379941997 365755501 /nfs/dbraw/zinc/75/55/01/365755501.db2.gz ZFHDTBZRXFREAG-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCCC1 ZINC000379941997 365755506 /nfs/dbraw/zinc/75/55/06/365755506.db2.gz ZFHDTBZRXFREAG-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCCC1 ZINC000379941997 365755509 /nfs/dbraw/zinc/75/55/09/365755509.db2.gz ZFHDTBZRXFREAG-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCCC1 ZINC000379941997 365755513 /nfs/dbraw/zinc/75/55/13/365755513.db2.gz ZFHDTBZRXFREAG-GFCCVEGCSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CCC1 ZINC000580566989 365772094 /nfs/dbraw/zinc/77/20/94/365772094.db2.gz LWHGJNNJGRTBJM-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CCC1 ZINC000580566989 365772098 /nfs/dbraw/zinc/77/20/98/365772098.db2.gz LWHGJNNJGRTBJM-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000580566989 365772105 /nfs/dbraw/zinc/77/21/05/365772105.db2.gz LWHGJNNJGRTBJM-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000580566989 365772111 /nfs/dbraw/zinc/77/21/11/365772111.db2.gz LWHGJNNJGRTBJM-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccncc1 ZINC000049329987 343596125 /nfs/dbraw/zinc/59/61/25/343596125.db2.gz ONNLBVSBDYSTIG-UHFFFAOYSA-N 2 1 216.288 1.376 20 0 BDADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCSCC1 ZINC000335862750 344034917 /nfs/dbraw/zinc/03/49/17/344034917.db2.gz XOZDPWCDMVZFKU-LBPRGKRZSA-N 2 1 228.405 1.910 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCSCC1 ZINC000335862750 344034918 /nfs/dbraw/zinc/03/49/18/344034918.db2.gz XOZDPWCDMVZFKU-LBPRGKRZSA-N 2 1 228.405 1.910 20 0 BDADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1([NH3+])CCC1 ZINC000584107250 343597271 /nfs/dbraw/zinc/59/72/71/343597271.db2.gz AKXQBAFDUQINHJ-NSHDSACASA-N 2 1 234.347 1.269 20 0 BDADMP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc(C)[nH+]1 ZINC000624257750 343621322 /nfs/dbraw/zinc/62/13/22/343621322.db2.gz PCNJCAOKLUYECT-YABSGUDNSA-N 2 1 246.358 1.344 20 0 BDADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000379995834 365786015 /nfs/dbraw/zinc/78/60/15/365786015.db2.gz JHAVUNSGZIOPJE-MNOVXSKESA-N 2 1 214.328 1.951 20 0 BDADMP CC[C@@H]1CC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000379969854 343662221 /nfs/dbraw/zinc/66/22/21/343662221.db2.gz ATPFRHSOCIOCJV-ZYHUDNBSSA-N 2 1 207.321 1.741 20 0 BDADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584182714 343771019 /nfs/dbraw/zinc/77/10/19/343771019.db2.gz IZLCBYCJDRHDRR-CHWSQXEVSA-N 2 1 239.407 1.720 20 0 BDADMP CC1(C)CCCN1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584182714 343771021 /nfs/dbraw/zinc/77/10/21/343771021.db2.gz IZLCBYCJDRHDRR-CHWSQXEVSA-N 2 1 239.407 1.720 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000163482438 178578199 /nfs/dbraw/zinc/57/81/99/178578199.db2.gz BOTXHBULYCASPG-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000576506730 343751995 /nfs/dbraw/zinc/75/19/95/343751995.db2.gz DNNKIRQEKLBKEF-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000576506730 343751999 /nfs/dbraw/zinc/75/19/99/343751999.db2.gz DNNKIRQEKLBKEF-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000576506730 343752001 /nfs/dbraw/zinc/75/20/01/343752001.db2.gz DNNKIRQEKLBKEF-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP CCc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])on1 ZINC000570507851 323061632 /nfs/dbraw/zinc/06/16/32/323061632.db2.gz GANBQXNILQQHKF-SKDRFNHKSA-N 2 1 223.320 1.454 20 0 BDADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000634733766 344113967 /nfs/dbraw/zinc/11/39/67/344113967.db2.gz NIPOSKNKZUIKFE-OLZOCXBDSA-N 2 1 239.407 1.496 20 0 BDADMP COCCCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000131057987 344227280 /nfs/dbraw/zinc/22/72/80/344227280.db2.gz DXFLODLBLCXZCW-GFCCVEGCSA-N 2 1 214.353 1.616 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000126890093 344186548 /nfs/dbraw/zinc/18/65/48/344186548.db2.gz KRCGDULOMGQMEN-GFCCVEGCSA-N 2 1 214.353 1.220 20 0 BDADMP Cc1c[nH]c(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000628134045 344187517 /nfs/dbraw/zinc/18/75/17/344187517.db2.gz BKRRFTFQJIGCTH-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000093216027 344312289 /nfs/dbraw/zinc/31/22/89/344312289.db2.gz FLWDBVYMNUMRIK-RDBSUJKOSA-N 3 1 239.407 1.578 20 0 BDADMP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000600700822 344359906 /nfs/dbraw/zinc/35/99/06/344359906.db2.gz FICUQDFAXZWNPZ-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000600700822 344359908 /nfs/dbraw/zinc/35/99/08/344359908.db2.gz FICUQDFAXZWNPZ-NWDGAFQWSA-N 2 1 242.363 1.531 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000600709269 344360929 /nfs/dbraw/zinc/36/09/29/344360929.db2.gz IBDBCZHFLRJOPW-NEPJUHHUSA-N 2 1 242.363 1.389 20 0 BDADMP CN1CCC[C@H]1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000092630496 344300016 /nfs/dbraw/zinc/30/00/16/344300016.db2.gz BDVIEZKLGHDJCY-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CCC1CC[NH2+]CC1)C[C@@H]1CCC[N@@H+]1C ZINC000092630496 344300017 /nfs/dbraw/zinc/30/00/17/344300017.db2.gz BDVIEZKLGHDJCY-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP CN(CCC1CC[NH2+]CC1)C[C@@H]1CCC[N@H+]1C ZINC000092630496 344300019 /nfs/dbraw/zinc/30/00/19/344300019.db2.gz BDVIEZKLGHDJCY-AWEZNQCLSA-N 2 1 239.407 1.402 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600775383 344370920 /nfs/dbraw/zinc/37/09/20/344370920.db2.gz NNBKZDVJLRXERT-GHMZBOCLSA-N 2 1 242.363 1.306 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccccc1 ZINC000385228161 344378977 /nfs/dbraw/zinc/37/89/77/344378977.db2.gz INWBVDREVRTZDA-AAEUAGOBSA-N 2 1 204.317 1.651 20 0 BDADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccccc1 ZINC000385228161 344378978 /nfs/dbraw/zinc/37/89/78/344378978.db2.gz INWBVDREVRTZDA-AAEUAGOBSA-N 2 1 204.317 1.651 20 0 BDADMP Cc1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000385273073 344386036 /nfs/dbraw/zinc/38/60/36/344386036.db2.gz TVUBWGIRHRFBBF-AAEUAGOBSA-N 2 1 204.317 1.917 20 0 BDADMP Cc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000385273073 344386037 /nfs/dbraw/zinc/38/60/37/344386037.db2.gz TVUBWGIRHRFBBF-AAEUAGOBSA-N 2 1 204.317 1.917 20 0 BDADMP C[N@H+](CCc1ccncc1)CC(C)(C)[NH3+] ZINC000040926027 344410996 /nfs/dbraw/zinc/41/09/96/344410996.db2.gz MUGDBZGMVBJAKL-UHFFFAOYSA-N 2 1 207.321 1.293 20 0 BDADMP C[N@@H+](CCc1ccncc1)CC(C)(C)[NH3+] ZINC000040926027 344410998 /nfs/dbraw/zinc/41/09/98/344410998.db2.gz MUGDBZGMVBJAKL-UHFFFAOYSA-N 2 1 207.321 1.293 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCSCC1 ZINC000042444874 344454105 /nfs/dbraw/zinc/45/41/05/344454105.db2.gz GQUVTCJTZJTTSM-LLVKDONJSA-N 2 1 216.394 1.799 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000336777841 537847964 /nfs/dbraw/zinc/84/79/64/537847964.db2.gz JRDFILJSTNYRNB-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158587889 344685320 /nfs/dbraw/zinc/68/53/20/344685320.db2.gz DLLPJZFDHNBJOI-NXEZZACHSA-N 2 1 200.351 1.033 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000075189486 344768278 /nfs/dbraw/zinc/76/82/78/344768278.db2.gz FNABWLBYBPFPME-YHWZYXNKSA-N 2 1 248.374 1.741 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000075189486 344768279 /nfs/dbraw/zinc/76/82/79/344768279.db2.gz FNABWLBYBPFPME-YHWZYXNKSA-N 2 1 248.374 1.741 20 0 BDADMP C[C@@H](O)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000562988589 323078342 /nfs/dbraw/zinc/07/83/42/323078342.db2.gz QCEHVTAPQZXZON-MGPQQGTHSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000628163943 344868344 /nfs/dbraw/zinc/86/83/44/344868344.db2.gz YNOIHLSFNIPLLS-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309446066 323082121 /nfs/dbraw/zinc/08/21/21/323082121.db2.gz PDCOSHNJRRFXCF-AAEUAGOBSA-N 2 1 228.380 1.466 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309446066 323082122 /nfs/dbraw/zinc/08/21/22/323082122.db2.gz PDCOSHNJRRFXCF-AAEUAGOBSA-N 2 1 228.380 1.466 20 0 BDADMP OC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000155799439 345104307 /nfs/dbraw/zinc/10/43/07/345104307.db2.gz YKQGSUPOBNAGAZ-YIFLHPOLSA-N 2 1 238.375 1.506 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000044535190 345109007 /nfs/dbraw/zinc/10/90/07/345109007.db2.gz FBGWNLBEMNYRJO-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP CC(C)OCC(C)(C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996613 345190481 /nfs/dbraw/zinc/19/04/81/345190481.db2.gz PIJHAQRZTIWOAV-UHFFFAOYSA-N 2 1 226.364 1.532 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC000634995911 345185746 /nfs/dbraw/zinc/18/57/46/345185746.db2.gz SMXHQABHEQIPQC-ROKHWSDSSA-N 2 1 237.391 1.202 20 0 BDADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)COC1 ZINC000156152576 345132832 /nfs/dbraw/zinc/13/28/32/345132832.db2.gz VRVOXQQZVTXNRN-VXGBXAGGSA-N 2 1 224.348 1.239 20 0 BDADMP CO[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC[C@@H]1C ZINC000634993828 345192101 /nfs/dbraw/zinc/19/21/01/345192101.db2.gz HLRPRWYXPGDLMQ-QCXCNERSSA-N 2 1 224.348 1.095 20 0 BDADMP CO[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC[C@@H]1C ZINC000634993828 345192103 /nfs/dbraw/zinc/19/21/03/345192103.db2.gz HLRPRWYXPGDLMQ-QCXCNERSSA-N 2 1 224.348 1.095 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999685 345200709 /nfs/dbraw/zinc/20/07/09/345200709.db2.gz XWZIJMMOSXQAEO-GHMZBOCLSA-N 2 1 236.363 1.009 20 0 BDADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000635002089 345203665 /nfs/dbraw/zinc/20/36/65/345203665.db2.gz LIYYHBQYIWSQSI-NSHDSACASA-N 2 1 220.320 1.060 20 0 BDADMP CC(C)(F)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000635002963 345205343 /nfs/dbraw/zinc/20/53/43/345205343.db2.gz CLAVCRIJHBFHRG-NXEZZACHSA-N 2 1 202.317 1.984 20 0 BDADMP N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005127 345209129 /nfs/dbraw/zinc/20/91/29/345209129.db2.gz MQFXEZDLUYYVIN-AAVRWANBSA-N 2 1 239.407 1.754 20 0 BDADMP C[C@@H](NCc1cccc2c1CC[NH2+]C2)C1C[NH2+]C1 ZINC000635009623 345212144 /nfs/dbraw/zinc/21/21/44/345212144.db2.gz JHVMTKYVKKVUTC-LLVKDONJSA-N 2 1 245.370 1.030 20 0 BDADMP CCC(O)(CC)C[N@H+](C)CCn1cc[nH+]c1C ZINC000626111389 345273180 /nfs/dbraw/zinc/27/31/80/345273180.db2.gz MTGMIEFGATXYIG-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP CCC(O)(CC)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000626111389 345273182 /nfs/dbraw/zinc/27/31/82/345273182.db2.gz MTGMIEFGATXYIG-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3cccn3)CC[C@@H]21 ZINC000158475163 345337819 /nfs/dbraw/zinc/33/78/19/345337819.db2.gz FUXRIEHIUMEXSR-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3cccn3)CC[C@@H]21 ZINC000158475163 345337821 /nfs/dbraw/zinc/33/78/21/345337821.db2.gz FUXRIEHIUMEXSR-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3cccn3)CC[C@@H]21 ZINC000158475163 345337822 /nfs/dbraw/zinc/33/78/22/345337822.db2.gz FUXRIEHIUMEXSR-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3cccn3)CC[C@@H]21 ZINC000158475163 345337824 /nfs/dbraw/zinc/33/78/24/345337824.db2.gz FUXRIEHIUMEXSR-KGLIPLIRSA-N 2 1 248.374 1.299 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159904190 345628239 /nfs/dbraw/zinc/62/82/39/345628239.db2.gz GJKWZWNUHFLVLG-MGPQQGTHSA-N 2 1 240.391 1.610 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccncc1N ZINC000641705310 362615534 /nfs/dbraw/zinc/61/55/34/362615534.db2.gz OCFDFSZBVCUDKT-UHFFFAOYSA-N 2 1 236.363 1.484 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccncc1N ZINC000641705310 362615538 /nfs/dbraw/zinc/61/55/38/362615538.db2.gz OCFDFSZBVCUDKT-UHFFFAOYSA-N 2 1 236.363 1.484 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1O ZINC000093344541 345654507 /nfs/dbraw/zinc/65/45/07/345654507.db2.gz HXJOSSJQEBXCHT-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000093344541 345654508 /nfs/dbraw/zinc/65/45/08/345654508.db2.gz HXJOSSJQEBXCHT-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000093344541 345654509 /nfs/dbraw/zinc/65/45/09/345654509.db2.gz HXJOSSJQEBXCHT-AGIUHOORSA-N 2 1 226.364 1.173 20 0 BDADMP CC(C)OCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397392267 323108112 /nfs/dbraw/zinc/10/81/12/323108112.db2.gz NZGPOMKLSBCKGI-UPJWGTAASA-N 2 1 228.380 1.717 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(O)CC2)CC1(C)C ZINC000628241068 346203746 /nfs/dbraw/zinc/20/37/46/346203746.db2.gz HHBUMOXYGGLKED-OTTFEQOBSA-N 2 1 240.391 1.752 20 0 BDADMP Cc1cccc(C)c1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336756883 179032615 /nfs/dbraw/zinc/03/26/15/179032615.db2.gz YRKMSBZHZWNWKA-GFCCVEGCSA-N 2 1 222.332 1.055 20 0 BDADMP Cc1c[nH]c(CN(C)CC[N@@H+](C)C2CC2)n1 ZINC000628280204 346290875 /nfs/dbraw/zinc/29/08/75/346290875.db2.gz VZUUXPXNEYGOCW-UHFFFAOYSA-N 2 1 222.336 1.244 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCSC1 ZINC000563353762 323120437 /nfs/dbraw/zinc/12/04/37/323120437.db2.gz PEERBJPOTXXCPC-GFCCVEGCSA-N 2 1 239.388 1.790 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCSC1 ZINC000563353762 323120438 /nfs/dbraw/zinc/12/04/38/323120438.db2.gz PEERBJPOTXXCPC-GFCCVEGCSA-N 2 1 239.388 1.790 20 0 BDADMP COC[C@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000563421929 323124158 /nfs/dbraw/zinc/12/41/58/323124158.db2.gz YCXZNAIPTNADNV-UNXYVOJBSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1noc(CCC[N@@H+](C)C2(C[NH3+])CCC2)n1 ZINC000574917378 346411067 /nfs/dbraw/zinc/41/10/67/346411067.db2.gz USXPLJOWONGHLC-UHFFFAOYSA-N 2 1 238.335 1.124 20 0 BDADMP Cc1noc(CCC[N@H+](C)C2(C[NH3+])CCC2)n1 ZINC000574917378 346411068 /nfs/dbraw/zinc/41/10/68/346411068.db2.gz USXPLJOWONGHLC-UHFFFAOYSA-N 2 1 238.335 1.124 20 0 BDADMP CCc1nc(C)c(C[N@H+](C)CC(C)(C)C[NH3+])o1 ZINC000641795908 362736988 /nfs/dbraw/zinc/73/69/88/362736988.db2.gz BKQKHKCJUCOGLT-UHFFFAOYSA-N 2 1 239.363 1.962 20 0 BDADMP CCc1nc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])o1 ZINC000641795908 362736992 /nfs/dbraw/zinc/73/69/92/362736992.db2.gz BKQKHKCJUCOGLT-UHFFFAOYSA-N 2 1 239.363 1.962 20 0 BDADMP CCC(F)(F)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000641798157 362741440 /nfs/dbraw/zinc/74/14/40/362741440.db2.gz IBOAGPNKUSSRQJ-PHIMTYICSA-N 2 1 232.318 1.963 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000641804064 362761801 /nfs/dbraw/zinc/76/18/01/362761801.db2.gz AJMNCJYMPIUZOI-AAVRWANBSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CC[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000641804064 362761806 /nfs/dbraw/zinc/76/18/06/362761806.db2.gz AJMNCJYMPIUZOI-AAVRWANBSA-N 2 1 239.407 1.434 20 0 BDADMP Cc1noc(C)c1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000580074509 346511175 /nfs/dbraw/zinc/51/11/75/346511175.db2.gz WGIWNFYRBQDPPA-LBPRGKRZSA-N 2 1 223.320 1.381 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000641802124 362757909 /nfs/dbraw/zinc/75/79/09/362757909.db2.gz XVRWGXVGLIGLOX-VXGBXAGGSA-N 2 1 238.375 1.770 20 0 BDADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000641803188 362759960 /nfs/dbraw/zinc/75/99/60/362759960.db2.gz BBIGKLNUTCNKOP-VXGBXAGGSA-N 2 1 247.342 1.341 20 0 BDADMP COC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000580062420 346501676 /nfs/dbraw/zinc/50/16/76/346501676.db2.gz YCXPPUKZWQLXQP-GRYCIOLGSA-N 2 1 214.353 1.388 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000163346017 346556560 /nfs/dbraw/zinc/55/65/60/346556560.db2.gz OIHFGFOSZOLZFG-RYUDHWBXSA-N 2 1 226.364 1.220 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CCC1(C)C ZINC000577121817 365825113 /nfs/dbraw/zinc/82/51/13/365825113.db2.gz JFWNJTVFLLINHG-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CCC1(C)C ZINC000577121817 365825116 /nfs/dbraw/zinc/82/51/16/365825116.db2.gz JFWNJTVFLLINHG-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000577121817 365825121 /nfs/dbraw/zinc/82/51/21/365825121.db2.gz JFWNJTVFLLINHG-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000577121817 365825124 /nfs/dbraw/zinc/82/51/24/365825124.db2.gz JFWNJTVFLLINHG-VXGBXAGGSA-N 2 1 228.380 1.562 20 0 BDADMP COC[C@H](C)C[NH2+]CCCCn1cc[nH+]c1C ZINC000188017211 346693274 /nfs/dbraw/zinc/69/32/74/346693274.db2.gz XJLQATVRHBXARW-GFCCVEGCSA-N 2 1 239.363 1.844 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2nccn21 ZINC000577191633 365870841 /nfs/dbraw/zinc/87/08/41/365870841.db2.gz RITUCCYQHMSITM-WYUUTHIRSA-N 2 1 234.347 1.748 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]1 ZINC000582062276 347160457 /nfs/dbraw/zinc/16/04/57/347160457.db2.gz APPYGLXUGVAWFY-SYQHCUMBSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@]1(C[NH+]2CCSCC2)CCC[NH2+]C1 ZINC000062861843 347197718 /nfs/dbraw/zinc/19/77/18/347197718.db2.gz ZRDSOZSVDOFNMW-NSHDSACASA-N 2 1 214.378 1.425 20 0 BDADMP CCSCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328257 347213358 /nfs/dbraw/zinc/21/33/58/347213358.db2.gz JEBJFZIKENDISV-MNOVXSKESA-N 2 1 214.378 1.471 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000388445324 347408875 /nfs/dbraw/zinc/40/88/75/347408875.db2.gz HVNBAXAPSFVLJJ-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP Cc1cc[nH+]c(N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000082479213 347623805 /nfs/dbraw/zinc/62/38/05/347623805.db2.gz NXJDEXZLTBTHPC-LLVKDONJSA-N 2 1 219.332 1.954 20 0 BDADMP C[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000591886187 347711527 /nfs/dbraw/zinc/71/15/27/347711527.db2.gz SRQQUIUNNKFWPI-CYBMUJFWSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCCCF ZINC000308458245 347669738 /nfs/dbraw/zinc/66/97/38/347669738.db2.gz FMBDFVUGSULKIB-WDEREUQCSA-N 2 1 202.317 1.938 20 0 BDADMP C[N@@H+](CC1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000082546003 347800637 /nfs/dbraw/zinc/80/06/37/347800637.db2.gz WPEDRHGQTYYNDK-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP CCOC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593729074 347937850 /nfs/dbraw/zinc/93/78/50/347937850.db2.gz FFQDETIWYQRYGR-RYUDHWBXSA-N 2 1 242.363 1.389 20 0 BDADMP Cc1cccnc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000228358086 179375043 /nfs/dbraw/zinc/37/50/43/179375043.db2.gz FQJFFGJVACAOKI-STQMWFEESA-N 2 1 233.359 1.949 20 0 BDADMP CC[N@H+](CCSC)C[C@H](O)C[NH+](C)C(C)C ZINC000595570727 348284548 /nfs/dbraw/zinc/28/45/48/348284548.db2.gz YLMQMTKLBXDHBE-GFCCVEGCSA-N 2 1 248.436 1.372 20 0 BDADMP CC[N@@H+](CCSC)C[C@H](O)C[NH+](C)C(C)C ZINC000595570727 348284550 /nfs/dbraw/zinc/28/45/50/348284550.db2.gz YLMQMTKLBXDHBE-GFCCVEGCSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](CCSC)C[C@H](O)C[N@H+](C)C(C)C ZINC000595570727 348284552 /nfs/dbraw/zinc/28/45/52/348284552.db2.gz YLMQMTKLBXDHBE-GFCCVEGCSA-N 2 1 248.436 1.372 20 0 BDADMP CC[NH+](CCSC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000595570727 348284556 /nfs/dbraw/zinc/28/45/56/348284556.db2.gz YLMQMTKLBXDHBE-GFCCVEGCSA-N 2 1 248.436 1.372 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669381993 538001694 /nfs/dbraw/zinc/00/16/94/538001694.db2.gz CWZOHZYLUMYOSC-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623489138 362913282 /nfs/dbraw/zinc/91/32/82/362913282.db2.gz RQLNNGXOVSBVNX-GRYCIOLGSA-N 2 1 228.380 1.608 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1(C)C ZINC000623497131 362921060 /nfs/dbraw/zinc/92/10/60/362921060.db2.gz YEHJCAWXROBTPW-TUAOUCFPSA-N 2 1 240.391 1.608 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623504349 362929069 /nfs/dbraw/zinc/92/90/69/362929069.db2.gz KLBUXXFZUJCILP-TUAOUCFPSA-N 2 1 228.380 1.872 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CO1 ZINC000401902844 348651940 /nfs/dbraw/zinc/65/19/40/348651940.db2.gz RQQILLBKMLSJNJ-WYUUTHIRSA-N 2 1 212.337 1.094 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CO1 ZINC000401902844 348651943 /nfs/dbraw/zinc/65/19/43/348651943.db2.gz RQQILLBKMLSJNJ-WYUUTHIRSA-N 2 1 212.337 1.094 20 0 BDADMP CC(=O)Nc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000206868787 348702048 /nfs/dbraw/zinc/70/20/48/348702048.db2.gz XBDGLLOTEPSAHA-UHFFFAOYSA-N 2 1 247.342 1.568 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000308861147 348908451 /nfs/dbraw/zinc/90/84/51/348908451.db2.gz PGSCAWCSSWOJDW-IJLUTSLNSA-N 2 1 214.353 1.077 20 0 BDADMP CSCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598952588 349071533 /nfs/dbraw/zinc/07/15/33/349071533.db2.gz NKWGORCVBFUDGR-SNVBAGLBSA-N 2 1 216.394 1.812 20 0 BDADMP C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250603086 349177222 /nfs/dbraw/zinc/17/72/22/349177222.db2.gz KOYWEZJWOHNORG-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250603086 349177225 /nfs/dbraw/zinc/17/72/25/349177225.db2.gz KOYWEZJWOHNORG-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250603086 349177228 /nfs/dbraw/zinc/17/72/28/349177228.db2.gz KOYWEZJWOHNORG-AGIUHOORSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(C)C[C@H]2CN)C1 ZINC000251746308 349188624 /nfs/dbraw/zinc/18/86/24/349188624.db2.gz JNIYBUIECVTBHO-MGPQQGTHSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCN(C)C[C@H]2CN)C1 ZINC000251746308 349188628 /nfs/dbraw/zinc/18/86/28/349188628.db2.gz JNIYBUIECVTBHO-MGPQQGTHSA-N 2 1 239.407 1.387 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250502143 349173918 /nfs/dbraw/zinc/17/39/18/349173918.db2.gz LTIRHYOKNSVPJE-KGLIPLIRSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524716 362945166 /nfs/dbraw/zinc/94/51/66/362945166.db2.gz GHLHKUMZUUDDLJ-QWHCGFSZSA-N 2 1 242.407 1.713 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623528398 362947414 /nfs/dbraw/zinc/94/74/14/362947414.db2.gz KLBUXXFZUJCILP-WOPDTQHZSA-N 2 1 228.380 1.872 20 0 BDADMP CCOCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000131517502 191014962 /nfs/dbraw/zinc/01/49/62/191014962.db2.gz FUCIQGHWWGRXRT-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP Cc1nc2ccccn2c1C[NH2+]CCC[NH+](C)C ZINC000037213635 180107897 /nfs/dbraw/zinc/10/78/97/180107897.db2.gz PZSZAXRBLTVUEU-UHFFFAOYSA-N 2 1 246.358 1.684 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000133344109 191040269 /nfs/dbraw/zinc/04/02/69/191040269.db2.gz WITPJCBORFEEBZ-UPJWGTAASA-N 2 1 208.349 1.718 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427128212 191054104 /nfs/dbraw/zinc/05/41/04/191054104.db2.gz KACBPKBLXWCOPV-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP Cn1cncc1CCC[N@H+]1CCC[C@](C)(O)C1 ZINC000314992496 350177859 /nfs/dbraw/zinc/17/78/59/350177859.db2.gz ZCSPJCQLFYWYQB-ZDUSSCGKSA-N 2 1 237.347 1.200 20 0 BDADMP Cc1ncc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000339287664 180158058 /nfs/dbraw/zinc/15/80/58/180158058.db2.gz XXWIDDNYIHWNKU-KBPBESRZSA-N 2 1 246.358 1.501 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000049533936 180145874 /nfs/dbraw/zinc/14/58/74/180145874.db2.gz QDCPTVYVXHZYDI-VIFPVBQESA-N 2 1 211.334 1.232 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000049533936 180145875 /nfs/dbraw/zinc/14/58/75/180145875.db2.gz QDCPTVYVXHZYDI-VIFPVBQESA-N 2 1 211.334 1.232 20 0 BDADMP Cc1nccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000292742052 180195024 /nfs/dbraw/zinc/19/50/24/180195024.db2.gz IWCBGQCWMCPONK-CQSZACIVSA-N 2 1 246.358 1.707 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000309224250 350212538 /nfs/dbraw/zinc/21/25/38/350212538.db2.gz HHHAUFZVXHIHOV-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000309224250 350212539 /nfs/dbraw/zinc/21/25/39/350212539.db2.gz HHHAUFZVXHIHOV-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000309224250 350212542 /nfs/dbraw/zinc/21/25/42/350212542.db2.gz HHHAUFZVXHIHOV-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000309224250 350212544 /nfs/dbraw/zinc/21/25/44/350212544.db2.gz HHHAUFZVXHIHOV-UPJWGTAASA-N 2 1 228.380 1.419 20 0 BDADMP Cc1[nH+]ccn1CCC[NH+]1CCSCC1 ZINC000124946080 180239993 /nfs/dbraw/zinc/23/99/93/180239993.db2.gz DFFYMUHOFFIMCA-UHFFFAOYSA-N 2 1 225.361 1.630 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(C)(C)O ZINC000305157031 180232209 /nfs/dbraw/zinc/23/22/09/180232209.db2.gz CTKPJYLBBWOQQR-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(C)(C)O ZINC000305157031 180232211 /nfs/dbraw/zinc/23/22/11/180232211.db2.gz CTKPJYLBBWOQQR-UHFFFAOYSA-N 2 1 239.363 1.674 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CC(O)C1 ZINC000353481481 180233687 /nfs/dbraw/zinc/23/36/87/180233687.db2.gz DBPFBKVTQQQRFM-UHFFFAOYSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CC(O)C1 ZINC000353481481 180233690 /nfs/dbraw/zinc/23/36/90/180233690.db2.gz DBPFBKVTQQQRFM-UHFFFAOYSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](O)C1 ZINC000305644861 180233830 /nfs/dbraw/zinc/23/38/30/180233830.db2.gz ROXBABIYXPCVMM-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](O)C1 ZINC000305644861 180233831 /nfs/dbraw/zinc/23/38/31/180233831.db2.gz ROXBABIYXPCVMM-GFCCVEGCSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357089565 180239044 /nfs/dbraw/zinc/23/90/44/180239044.db2.gz QDYRXJSOPPUTPU-KBPBESRZSA-N 2 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357089565 180239045 /nfs/dbraw/zinc/23/90/45/180239045.db2.gz QDYRXJSOPPUTPU-KBPBESRZSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357089565 180239048 /nfs/dbraw/zinc/23/90/48/180239048.db2.gz QDYRXJSOPPUTPU-KBPBESRZSA-N 3 1 248.374 1.123 20 0 BDADMP Cc1[nH+]ccn1CCCn1cc[nH+]c1C ZINC000157404912 180246652 /nfs/dbraw/zinc/24/66/52/180246652.db2.gz XHYVDANPNOEOPC-UHFFFAOYSA-N 2 1 204.277 1.787 20 0 BDADMP Cc1[nH+]ccn1CCN1CCC[C@H]([NH+](C)C)C1 ZINC000336711619 180251884 /nfs/dbraw/zinc/25/18/84/180251884.db2.gz RLCSBNKPYSGEJK-ZDUSSCGKSA-N 2 1 236.363 1.218 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000361944855 180240779 /nfs/dbraw/zinc/24/07/79/180240779.db2.gz OYCZUXDAHWUXBY-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@H](C)C1 ZINC000361944855 180240780 /nfs/dbraw/zinc/24/07/80/180240780.db2.gz OYCZUXDAHWUXBY-GFCCVEGCSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](CCO)C1CC1 ZINC000269134565 180241526 /nfs/dbraw/zinc/24/15/26/180241526.db2.gz PBVIYVOOYSBBLB-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)C1CC1 ZINC000269134565 180241528 /nfs/dbraw/zinc/24/15/28/180241528.db2.gz PBVIYVOOYSBBLB-UHFFFAOYSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000371204733 180242132 /nfs/dbraw/zinc/24/21/32/180242132.db2.gz JKNGECKKSPIPMZ-AWEZNQCLSA-N 2 1 249.358 1.694 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000371204733 180242134 /nfs/dbraw/zinc/24/21/34/180242134.db2.gz JKNGECKKSPIPMZ-AWEZNQCLSA-N 2 1 249.358 1.694 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000336690221 180242653 /nfs/dbraw/zinc/24/26/53/180242653.db2.gz CXHVTGZIKSHVAS-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000336690221 180242655 /nfs/dbraw/zinc/24/26/55/180242655.db2.gz CXHVTGZIKSHVAS-AAEUAGOBSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(C)C1 ZINC000309156540 180244311 /nfs/dbraw/zinc/24/43/11/180244311.db2.gz XORZEORFDQTFKS-UHFFFAOYSA-N 2 1 207.321 1.970 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1CCSC1 ZINC000278415298 180245553 /nfs/dbraw/zinc/24/55/53/180245553.db2.gz PUYIPXOFNZEPJP-LBPRGKRZSA-N 2 1 239.388 1.924 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]C1CCSCC1 ZINC000136331554 180260415 /nfs/dbraw/zinc/26/04/15/180260415.db2.gz QQTPIXZEMZCCLT-UHFFFAOYSA-N 2 1 225.361 1.677 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427849520 191094433 /nfs/dbraw/zinc/09/44/33/191094433.db2.gz NOGOZVUANUUUEZ-AGIUHOORSA-N 2 1 248.374 1.128 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427849520 191094434 /nfs/dbraw/zinc/09/44/34/191094434.db2.gz NOGOZVUANUUUEZ-AGIUHOORSA-N 2 1 248.374 1.128 20 0 BDADMP C[C@@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623535057 362954450 /nfs/dbraw/zinc/95/44/50/362954450.db2.gz LAPRSYQWWWNMRC-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000565156158 323324544 /nfs/dbraw/zinc/32/45/44/323324544.db2.gz HMNCKOPSASUIBX-RFQIPJPRSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H](CCCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537068 362955483 /nfs/dbraw/zinc/95/54/83/362955483.db2.gz LZFXJRCYXWVPIZ-STQMWFEESA-N 2 1 242.407 1.857 20 0 BDADMP Cc1nn(C)c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093861270 180336827 /nfs/dbraw/zinc/33/68/27/180336827.db2.gz ACUCWWIXRZKINW-UHFFFAOYSA-N 2 1 238.379 1.454 20 0 BDADMP Cc1nn(C)c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093861270 180336830 /nfs/dbraw/zinc/33/68/30/180336830.db2.gz ACUCWWIXRZKINW-UHFFFAOYSA-N 2 1 238.379 1.454 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000133061767 191104060 /nfs/dbraw/zinc/10/40/60/191104060.db2.gz WSMYOCSSXLVNCM-CMPLNLGQSA-N 2 1 223.320 1.206 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@](C)(CC)CO)CC1 ZINC000336642431 350413187 /nfs/dbraw/zinc/41/31/87/350413187.db2.gz VPYKPYXAFKWVJV-LBPRGKRZSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623537683 362956267 /nfs/dbraw/zinc/95/62/67/362956267.db2.gz BPVJSUIOOUFYHH-NEPJUHHUSA-N 2 1 242.407 1.998 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)CC1 ZINC000309265658 323337102 /nfs/dbraw/zinc/33/71/02/323337102.db2.gz QBZXEXLZBSAJMX-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000309265658 323337107 /nfs/dbraw/zinc/33/71/07/323337107.db2.gz QBZXEXLZBSAJMX-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)CC1 ZINC000309265658 323337109 /nfs/dbraw/zinc/33/71/09/323337109.db2.gz QBZXEXLZBSAJMX-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CSC ZINC000309301266 323341648 /nfs/dbraw/zinc/34/16/48/323341648.db2.gz YJPSCZZXOXPBHN-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CSC ZINC000309301266 323341653 /nfs/dbraw/zinc/34/16/53/323341653.db2.gz YJPSCZZXOXPBHN-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CSC ZINC000309301266 323341658 /nfs/dbraw/zinc/34/16/58/323341658.db2.gz YJPSCZZXOXPBHN-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CSC ZINC000309301266 323341663 /nfs/dbraw/zinc/34/16/63/323341663.db2.gz YJPSCZZXOXPBHN-NWDGAFQWSA-N 2 1 246.420 1.126 20 0 BDADMP CC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177060073 365960344 /nfs/dbraw/zinc/96/03/44/365960344.db2.gz VXDYQOGBMBFZCG-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177060073 365960352 /nfs/dbraw/zinc/96/03/52/365960352.db2.gz VXDYQOGBMBFZCG-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177060073 365960358 /nfs/dbraw/zinc/96/03/58/365960358.db2.gz VXDYQOGBMBFZCG-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177060073 365960364 /nfs/dbraw/zinc/96/03/64/365960364.db2.gz VXDYQOGBMBFZCG-GRYCIOLGSA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+]1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000059313341 350493368 /nfs/dbraw/zinc/49/33/68/350493368.db2.gz JHKZEGHAEHVKFC-UHFFFAOYSA-N 2 1 210.243 1.623 20 0 BDADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623553214 362974423 /nfs/dbraw/zinc/97/44/23/362974423.db2.gz KQBFZPSNKGAIAY-WDEREUQCSA-N 2 1 214.353 1.220 20 0 BDADMP CCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177383384 365996633 /nfs/dbraw/zinc/99/66/33/365996633.db2.gz RGFLBJCOFJAJAA-UHFFFAOYSA-N 2 1 241.423 1.744 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CCOC)COC)CC1 ZINC000336717267 351132329 /nfs/dbraw/zinc/13/23/29/351132329.db2.gz QJGLWVVCGAVGKD-ZDUSSCGKSA-N 2 1 244.379 1.112 20 0 BDADMP COC1(C[NH2+]C[C@H]2CCC[NH2+]2)CCCC1 ZINC000379921177 351288779 /nfs/dbraw/zinc/28/87/79/351288779.db2.gz HTZAGZZQEHZDTD-LLVKDONJSA-N 2 1 212.337 1.287 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCCCO1 ZINC000252093430 363026577 /nfs/dbraw/zinc/02/65/77/363026577.db2.gz HLSTXJOTOCQHAY-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000637809705 351646336 /nfs/dbraw/zinc/64/63/36/351646336.db2.gz WPEDIZKCKJFBNJ-UHFFFAOYSA-N 2 1 243.395 1.080 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000252727650 538101021 /nfs/dbraw/zinc/10/10/21/538101021.db2.gz LMAWHYNLKLPDIC-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000252727650 538101022 /nfs/dbraw/zinc/10/10/22/538101022.db2.gz LMAWHYNLKLPDIC-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000252727650 538101023 /nfs/dbraw/zinc/10/10/23/538101023.db2.gz LMAWHYNLKLPDIC-XQQFMLRXSA-N 2 1 226.364 1.031 20 0 BDADMP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637840277 351695592 /nfs/dbraw/zinc/69/55/92/351695592.db2.gz GARDSCBUIWMRPW-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP COC(=O)[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@H]1C ZINC000414764594 351700669 /nfs/dbraw/zinc/70/06/69/351700669.db2.gz YQLYWAOIPAFSGU-QJPTWQEYSA-N 2 1 242.363 1.243 20 0 BDADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H]1C ZINC000414764594 351700671 /nfs/dbraw/zinc/70/06/71/351700671.db2.gz YQLYWAOIPAFSGU-QJPTWQEYSA-N 2 1 242.363 1.243 20 0 BDADMP NC[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000414792708 351772065 /nfs/dbraw/zinc/77/20/65/351772065.db2.gz CRRIRNPBDXHPPX-LBPRGKRZSA-N 2 1 248.326 1.285 20 0 BDADMP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000414792708 351772069 /nfs/dbraw/zinc/77/20/69/351772069.db2.gz CRRIRNPBDXHPPX-LBPRGKRZSA-N 2 1 248.326 1.285 20 0 BDADMP C[N@@H+](CCC[C@@H]1CCO1)C[C@H]1CCC[NH+](C)C1 ZINC000637930628 351807113 /nfs/dbraw/zinc/80/71/13/351807113.db2.gz QKRGUOSASIKLBA-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCC[C@@H]1CCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000637930628 351807115 /nfs/dbraw/zinc/80/71/15/351807115.db2.gz QKRGUOSASIKLBA-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCC[C@@H]1CCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930628 351807117 /nfs/dbraw/zinc/80/71/17/351807117.db2.gz QKRGUOSASIKLBA-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCC[C@@H]1CCO1)CC1CC[NH+](C)CC1 ZINC000638029656 351910344 /nfs/dbraw/zinc/91/03/44/351910344.db2.gz RJFYVOLSFONKHJ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@](C)(C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CC1 ZINC000638089000 351967599 /nfs/dbraw/zinc/96/75/99/351967599.db2.gz JKXHXRIKTIZRCH-IACUBPJLSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@](C)(C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CC1 ZINC000638089000 351967601 /nfs/dbraw/zinc/96/76/01/351967601.db2.gz JKXHXRIKTIZRCH-IACUBPJLSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@@H+]1C ZINC000638116670 351991621 /nfs/dbraw/zinc/99/16/21/351991621.db2.gz LFADODDNILGOPV-WCQYABFASA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)CC[N@H+]1C ZINC000638116670 351991626 /nfs/dbraw/zinc/99/16/26/351991626.db2.gz LFADODDNILGOPV-WCQYABFASA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1C ZINC000638116670 351991628 /nfs/dbraw/zinc/99/16/28/351991628.db2.gz LFADODDNILGOPV-WCQYABFASA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)CC[NH+]1C ZINC000638116670 351991632 /nfs/dbraw/zinc/99/16/32/351991632.db2.gz LFADODDNILGOPV-WCQYABFASA-N 2 1 249.358 1.702 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@@H]2CCO2)C1 ZINC000638131755 352001769 /nfs/dbraw/zinc/00/17/69/352001769.db2.gz DRBJMQCOCROVAD-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638131755 352001772 /nfs/dbraw/zinc/00/17/72/352001772.db2.gz DRBJMQCOCROVAD-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638131755 352001774 /nfs/dbraw/zinc/00/17/74/352001774.db2.gz DRBJMQCOCROVAD-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCc1nc(NC[C@H](C)[NH+](C)C)cc(C)[nH+]1 ZINC000285977119 352068575 /nfs/dbraw/zinc/06/85/75/352068575.db2.gz BQMDUDNRIZJGKU-JTQLQIEISA-N 2 1 222.336 1.709 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638304158 352133771 /nfs/dbraw/zinc/13/37/71/352133771.db2.gz MAYRFHXJJPIKDG-WPRPVWTQSA-N 2 1 218.291 1.714 20 0 BDADMP Cc1cc(F)ccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414900217 352176072 /nfs/dbraw/zinc/17/60/72/352176072.db2.gz VTUBTVYIPIDGSR-ZDUSSCGKSA-N 2 1 222.307 1.961 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638368353 352179334 /nfs/dbraw/zinc/17/93/34/352179334.db2.gz JKHZMEBOGVEXQR-WDEREUQCSA-N 2 1 243.395 1.206 20 0 BDADMP CCOC1CC(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000638381951 352193798 /nfs/dbraw/zinc/19/37/98/352193798.db2.gz RDKFPOZPNKTARD-HSBZDZAISA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2(O)CCC2)C1 ZINC000411115904 191160414 /nfs/dbraw/zinc/16/04/14/191160414.db2.gz JFTZSLIHYKPYPK-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2(O)CCC2)C1 ZINC000411115904 191160417 /nfs/dbraw/zinc/16/04/17/191160417.db2.gz JFTZSLIHYKPYPK-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2(O)CCC2)C1 ZINC000411115904 191160420 /nfs/dbraw/zinc/16/04/20/191160420.db2.gz JFTZSLIHYKPYPK-ZDUSSCGKSA-N 2 1 240.391 1.565 20 0 BDADMP c1cc2c(c(C[NH2+]CC[C@H]3CCC[NH2+]3)c1)OCO2 ZINC000414918212 352272662 /nfs/dbraw/zinc/27/26/62/352272662.db2.gz SYEUZNUZLUAOBP-GFCCVEGCSA-N 2 1 248.326 1.647 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000414918079 352273189 /nfs/dbraw/zinc/27/31/89/352273189.db2.gz XKQDYKAWAVLYQH-VXGBXAGGSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1CCC[C@@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000414918079 352273192 /nfs/dbraw/zinc/27/31/92/352273192.db2.gz XKQDYKAWAVLYQH-VXGBXAGGSA-N 2 1 214.353 1.066 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCCO1 ZINC000252157887 363181472 /nfs/dbraw/zinc/18/14/72/363181472.db2.gz PKPAUSDVZPNXOB-GRYCIOLGSA-N 2 1 212.337 1.367 20 0 BDADMP CCc1ncc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414955714 352374639 /nfs/dbraw/zinc/37/46/39/352374639.db2.gz MPIDFMJNGYFURV-ONGXEEELSA-N 2 1 239.388 1.793 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638589377 352420696 /nfs/dbraw/zinc/42/06/96/352420696.db2.gz TVTBPWSBDYHBBZ-HSBZDZAISA-N 2 1 248.374 1.518 20 0 BDADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000638589375 352420985 /nfs/dbraw/zinc/42/09/85/352420985.db2.gz TVOPCWFJASOHMK-STQMWFEESA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CS1 ZINC000252162580 363187671 /nfs/dbraw/zinc/18/76/71/363187671.db2.gz QALNUVGOHTWSRJ-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCO2)CC[N@H+]1C ZINC000638706031 352544560 /nfs/dbraw/zinc/54/45/60/352544560.db2.gz DJZGMKBRCYNMNE-UPJWGTAASA-N 2 1 226.364 1.628 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000043427976 352637376 /nfs/dbraw/zinc/63/73/76/352637376.db2.gz NSKJYGFQPCMRSK-CHWSQXEVSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000336746153 352736777 /nfs/dbraw/zinc/73/67/77/352736777.db2.gz RBZLZAAZDBDVEM-YNEHKIRRSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1nccn1CCN1CCOC(C)(C)C1 ZINC000334331361 352967824 /nfs/dbraw/zinc/96/78/24/352967824.db2.gz LFFLRUFYBUIZDR-UHFFFAOYSA-N 2 1 223.320 1.302 20 0 BDADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000165266050 353271693 /nfs/dbraw/zinc/27/16/93/353271693.db2.gz NTQLOZHOMIKFKW-NSHDSACASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251827492 353292619 /nfs/dbraw/zinc/29/26/19/353292619.db2.gz PHOLXGULIRYGIL-UTUOFQBUSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251827492 353292622 /nfs/dbraw/zinc/29/26/22/353292622.db2.gz PHOLXGULIRYGIL-UTUOFQBUSA-N 2 1 219.332 1.812 20 0 BDADMP Cn1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000252894387 353313260 /nfs/dbraw/zinc/31/32/60/353313260.db2.gz VMBUOZAZTIEESU-YPMHNXCESA-N 2 1 234.347 1.137 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000085282233 538116013 /nfs/dbraw/zinc/11/60/13/538116013.db2.gz BDRMEZWQCQXSOH-GHMZBOCLSA-N 2 1 206.289 1.239 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000162869719 324129156 /nfs/dbraw/zinc/12/91/56/324129156.db2.gz OCLBGBGSVQXNRM-NEPJUHHUSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@@H]1C[N@H+](C/C=C\Cl)CC[C@H]1[NH3+] ZINC000308029620 353500411 /nfs/dbraw/zinc/50/04/11/353500411.db2.gz MHQHNTDSEGYKGA-QBNQYXCASA-N 2 1 202.729 1.798 20 0 BDADMP CC[C@@H]1C[N@@H+](C/C=C\Cl)CC[C@H]1[NH3+] ZINC000308029620 353500414 /nfs/dbraw/zinc/50/04/14/353500414.db2.gz MHQHNTDSEGYKGA-QBNQYXCASA-N 2 1 202.729 1.798 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000352675308 188440367 /nfs/dbraw/zinc/44/03/67/188440367.db2.gz FSLSZZOWFHYIJY-ZDUSSCGKSA-N 2 1 237.347 1.332 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000232661136 353752623 /nfs/dbraw/zinc/75/26/23/353752623.db2.gz KYZHLJMLJQLVOZ-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H](CN[C@@H]1C[N@@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000343331324 353738610 /nfs/dbraw/zinc/73/86/10/353738610.db2.gz JALPIAKCJHIZNN-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000343331324 353738613 /nfs/dbraw/zinc/73/86/13/353738613.db2.gz JALPIAKCJHIZNN-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1C[NH+](C)C[C@H]1C ZINC000343987611 354061418 /nfs/dbraw/zinc/06/14/18/354061418.db2.gz OCQQGRMSXLJXLU-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000343987611 354061422 /nfs/dbraw/zinc/06/14/22/354061422.db2.gz OCQQGRMSXLJXLU-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000343987611 354061427 /nfs/dbraw/zinc/06/14/27/354061427.db2.gz OCQQGRMSXLJXLU-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC(C2CCOCC2)CC1 ZINC000334569556 354095093 /nfs/dbraw/zinc/09/50/93/354095093.db2.gz RGKALCXCECDJDX-UHFFFAOYSA-N 2 1 240.391 1.862 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cccc(CO)c2)C1 ZINC000344230466 354184935 /nfs/dbraw/zinc/18/49/35/354184935.db2.gz IJEZQPDOICTAGC-IUODEOHRSA-N 2 1 248.370 1.609 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000577960584 366144689 /nfs/dbraw/zinc/14/46/89/366144689.db2.gz MHCVXRKLEAIUSW-UPJWGTAASA-N 3 1 225.380 1.188 20 0 BDADMP CCc1cc(N[C@H]2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000334648996 354440178 /nfs/dbraw/zinc/44/01/78/354440178.db2.gz QKEWFMBFLCJLGR-ZDUSSCGKSA-N 2 1 242.326 1.689 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334649752 354441684 /nfs/dbraw/zinc/44/16/84/354441684.db2.gz VWFJYZUBXOJCRA-AWEZNQCLSA-N 2 1 231.343 1.454 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000232663429 363378458 /nfs/dbraw/zinc/37/84/58/363378458.db2.gz VPKADOPRQYSFJP-GFCCVEGCSA-N 2 1 214.353 1.330 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335137692 354788537 /nfs/dbraw/zinc/78/85/37/354788537.db2.gz NIBXWQGXWYJRRC-TUUUFIMRSA-N 2 1 225.380 1.506 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232701954 363379952 /nfs/dbraw/zinc/37/99/52/363379952.db2.gz RZCAMRWRKDHEBW-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)[N@@H+](C[C@H](C)O)C[C@H]1CCC[NH2+]C1 ZINC000232754686 363382304 /nfs/dbraw/zinc/38/23/04/363382304.db2.gz ZEILZACDJMXSQA-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCF)[C@@H](C)C1 ZINC000346557826 354967615 /nfs/dbraw/zinc/96/76/15/354967615.db2.gz ITCLIZNYFYLSBD-QWHCGFSZSA-N 2 1 246.370 1.683 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCF)[C@@H](C)C1 ZINC000346557826 354967618 /nfs/dbraw/zinc/96/76/18/354967618.db2.gz ITCLIZNYFYLSBD-QWHCGFSZSA-N 2 1 246.370 1.683 20 0 BDADMP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000335182184 355079802 /nfs/dbraw/zinc/07/98/02/355079802.db2.gz ZUCQPQAKGNXYCN-VXGBXAGGSA-N 2 1 205.305 1.359 20 0 BDADMP CCn1cncc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335182443 355080608 /nfs/dbraw/zinc/08/06/08/355080608.db2.gz TUMNLIXBOJCQKA-OLZOCXBDSA-N 2 1 248.374 1.572 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@@H+]1C ZINC000335218943 355057905 /nfs/dbraw/zinc/05/79/05/355057905.db2.gz RLWNHFLSUAENOE-BLYZHGLHSA-N 3 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC[N@H+]1C ZINC000335218943 355057906 /nfs/dbraw/zinc/05/79/06/355057906.db2.gz RLWNHFLSUAENOE-BLYZHGLHSA-N 3 1 239.407 1.576 20 0 BDADMP C[NH+](C)CCC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346831591 355129412 /nfs/dbraw/zinc/12/94/12/355129412.db2.gz QFSFMASYPLQCAB-UHFFFAOYSA-N 3 1 227.396 1.387 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346847440 355136445 /nfs/dbraw/zinc/13/64/45/355136445.db2.gz MMYREKXQFBMBMX-UBHSHLNASA-N 2 1 248.374 1.586 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346847435 355136888 /nfs/dbraw/zinc/13/68/88/355136888.db2.gz MMYREKXQFBMBMX-FPMFFAJLSA-N 2 1 248.374 1.586 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000346848985 355137637 /nfs/dbraw/zinc/13/76/37/355137637.db2.gz GBQHZTHWUJQTDK-CYBMUJFWSA-N 2 1 228.380 1.471 20 0 BDADMP CCC[C@](C)([NH2+]CC1CC[NH2+]CC1)C(=O)OC ZINC000346961969 355170495 /nfs/dbraw/zinc/17/04/95/355170495.db2.gz AIHZZMAHTAKCCV-ZDUSSCGKSA-N 2 1 242.363 1.307 20 0 BDADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H](CO)C(C)(C)C ZINC000346985371 355186094 /nfs/dbraw/zinc/18/60/94/355186094.db2.gz PGTOWIVDQOZENW-GFCCVEGCSA-N 2 1 228.380 1.325 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC[C@H]2CCO2)C1 ZINC000639257308 355302839 /nfs/dbraw/zinc/30/28/39/355302839.db2.gz LVWDPJBLTOUEHB-KGLIPLIRSA-N 2 1 240.391 1.877 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC1(C)C ZINC000623749098 355320233 /nfs/dbraw/zinc/32/02/33/355320233.db2.gz VDNAIYLQWCFVNO-SDDRHHMPSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@H+]1C ZINC000639250058 355282872 /nfs/dbraw/zinc/28/28/72/355282872.db2.gz OUXZEPNDYLYBML-LOWDOPEQSA-N 2 1 226.364 1.220 20 0 BDADMP NC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000263967943 181189354 /nfs/dbraw/zinc/18/93/54/181189354.db2.gz MUNYPVGRTBGEST-CYBMUJFWSA-N 2 1 246.358 1.034 20 0 BDADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000335819083 355510576 /nfs/dbraw/zinc/51/05/76/355510576.db2.gz HETVTODWTWSVTE-CLLJXQQHSA-N 2 1 240.391 1.874 20 0 BDADMP COc1ccc(OCC[NH2+]CC(C)(C)[NH3+])cc1 ZINC000415086502 191675272 /nfs/dbraw/zinc/67/52/72/191675272.db2.gz JSHFGFVQGMHXMF-UHFFFAOYSA-N 2 1 238.331 1.401 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415030264 191657966 /nfs/dbraw/zinc/65/79/66/191657966.db2.gz DTHZBLZFOSKUDF-ITGUQSILSA-N 2 1 218.300 1.003 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000582181236 355644897 /nfs/dbraw/zinc/64/48/97/355644897.db2.gz MPMZZMUVODCQDS-DTWKUNHWSA-N 2 1 240.376 1.115 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000582181236 355644899 /nfs/dbraw/zinc/64/48/99/355644899.db2.gz MPMZZMUVODCQDS-DTWKUNHWSA-N 2 1 240.376 1.115 20 0 BDADMP COc1cncc(C[N@H+](C)CC2CN(C)C2)c1C ZINC000639309919 355666133 /nfs/dbraw/zinc/66/61/33/355666133.db2.gz OQTMQVCBGJXJKY-UHFFFAOYSA-N 2 1 249.358 1.392 20 0 BDADMP COc1cncc(C[N@@H+](C)CC2CN(C)C2)c1C ZINC000639309919 355666138 /nfs/dbraw/zinc/66/61/38/355666138.db2.gz OQTMQVCBGJXJKY-UHFFFAOYSA-N 2 1 249.358 1.392 20 0 BDADMP COc1cccc(C)c1C[N@@H+](C)CC1CN(C)C1 ZINC000639309918 355666377 /nfs/dbraw/zinc/66/63/77/355666377.db2.gz OPHHSIJARUFSLR-UHFFFAOYSA-N 2 1 248.370 1.997 20 0 BDADMP COc1cccc(C)c1CN(C)CC1C[NH+](C)C1 ZINC000639309918 355666380 /nfs/dbraw/zinc/66/63/80/355666380.db2.gz OPHHSIJARUFSLR-UHFFFAOYSA-N 2 1 248.370 1.997 20 0 BDADMP CN1CC(C[N@@H+](C)CCC2CCOCC2)C1 ZINC000639310497 355670030 /nfs/dbraw/zinc/67/00/30/355670030.db2.gz SKKMFJGEVZPUBI-UHFFFAOYSA-N 2 1 226.364 1.297 20 0 BDADMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000216035385 355798625 /nfs/dbraw/zinc/79/86/25/355798625.db2.gz SQDDZDPJYZROHE-DGCLKSJQSA-N 2 1 234.343 1.864 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC000166889661 355865196 /nfs/dbraw/zinc/86/51/96/355865196.db2.gz IEZSYWSLTXORCV-LBPRGKRZSA-N 2 1 249.358 1.569 20 0 BDADMP C1C[C@H]2C[C@H]([NH2+][C@H]3CCCOC3)CC[N@H+]2C1 ZINC000381178091 355934947 /nfs/dbraw/zinc/93/49/47/355934947.db2.gz VPEYVKXRBBRSTR-AGIUHOORSA-N 2 1 224.348 1.382 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@H](C)C1 ZINC000167410369 355992693 /nfs/dbraw/zinc/99/26/93/355992693.db2.gz IQCAWIRCGCJZGF-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166961271 355945345 /nfs/dbraw/zinc/94/53/45/355945345.db2.gz SPPSXPBPGVCRJS-VXGBXAGGSA-N 2 1 228.380 1.874 20 0 BDADMP Cc1[nH+]cc(CN(C)[C@H]2C[NH+]3CCC2CC3)n1C ZINC000639393213 356067341 /nfs/dbraw/zinc/06/73/41/356067341.db2.gz UAMZXFKLHHBDDV-AWEZNQCLSA-N 2 1 248.374 1.255 20 0 BDADMP CSC1(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000336117790 134089197 /nfs/dbraw/zinc/08/91/97/134089197.db2.gz SZVOSIOZXIVMAJ-LBPRGKRZSA-N 2 1 240.416 1.910 20 0 BDADMP CSC1(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000336117790 134089198 /nfs/dbraw/zinc/08/91/98/134089198.db2.gz SZVOSIOZXIVMAJ-LBPRGKRZSA-N 2 1 240.416 1.910 20 0 BDADMP CSC1(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000336117790 134089199 /nfs/dbraw/zinc/08/91/99/134089199.db2.gz SZVOSIOZXIVMAJ-LBPRGKRZSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420297380 192204394 /nfs/dbraw/zinc/20/43/94/192204394.db2.gz YTFLFECHPQJPOR-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420297380 192204396 /nfs/dbraw/zinc/20/43/96/192204396.db2.gz YTFLFECHPQJPOR-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP NC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420299509 192207437 /nfs/dbraw/zinc/20/74/37/192207437.db2.gz UANZHLUBCWPMHC-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]C[C@@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420299509 192207439 /nfs/dbraw/zinc/20/74/39/192207439.db2.gz UANZHLUBCWPMHC-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420299777 192206902 /nfs/dbraw/zinc/20/69/02/192206902.db2.gz UKFXFTNPMFTOQU-NSHDSACASA-N 2 1 228.336 1.000 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000639488500 356305562 /nfs/dbraw/zinc/30/55/62/356305562.db2.gz IRYRKECHTPVNMX-RWMBFGLXSA-N 2 1 226.364 1.295 20 0 BDADMP C[C@](C[NH3+])([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420282699 192200007 /nfs/dbraw/zinc/20/00/07/192200007.db2.gz BDVGCFPOLCVJQX-DGCLKSJQSA-N 3 1 225.380 1.093 20 0 BDADMP COc1ccccc1CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420287969 192200852 /nfs/dbraw/zinc/20/08/52/192200852.db2.gz GUOBEFYFRBLWKG-ZDUSSCGKSA-N 2 1 248.370 1.908 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294091 192203342 /nfs/dbraw/zinc/20/33/42/192203342.db2.gz SJAVCXBYSONOMI-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294091 192203345 /nfs/dbraw/zinc/20/33/45/192203345.db2.gz SJAVCXBYSONOMI-CHWSQXEVSA-N 3 1 225.380 1.060 20 0 BDADMP Nc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000420315982 192213050 /nfs/dbraw/zinc/21/30/50/192213050.db2.gz SLOSGRWSZBTSPN-LLVKDONJSA-N 2 1 234.347 1.055 20 0 BDADMP Cc1nccn1CCC[N@H+](C)C1(CN)CCC1 ZINC000420330570 192213742 /nfs/dbraw/zinc/21/37/42/192213742.db2.gz QEHNNTZTYIAFDD-UHFFFAOYSA-N 2 1 236.363 1.395 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(C)=O)C1 ZINC000639508405 356336588 /nfs/dbraw/zinc/33/65/88/356336588.db2.gz PYKMQZWXCAROQG-ZDUSSCGKSA-N 2 1 242.363 1.008 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(C)=O)C1 ZINC000639508405 356336590 /nfs/dbraw/zinc/33/65/90/356336590.db2.gz PYKMQZWXCAROQG-ZDUSSCGKSA-N 2 1 242.363 1.008 20 0 BDADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420333992 192215027 /nfs/dbraw/zinc/21/50/27/192215027.db2.gz KPXZOYTUOZERCI-NEPJUHHUSA-N 2 1 240.347 1.012 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420333992 192215030 /nfs/dbraw/zinc/21/50/30/192215030.db2.gz KPXZOYTUOZERCI-NEPJUHHUSA-N 2 1 240.347 1.012 20 0 BDADMP COCCCC[N@@H+]1CCNC[C@](C)(F)C1 ZINC000420330092 192215100 /nfs/dbraw/zinc/21/51/00/192215100.db2.gz LIVZPTINMWSIAL-NSHDSACASA-N 2 1 218.316 1.046 20 0 BDADMP COCCCC[N@H+]1CCNC[C@](C)(F)C1 ZINC000420330092 192215101 /nfs/dbraw/zinc/21/51/01/192215101.db2.gz LIVZPTINMWSIAL-NSHDSACASA-N 2 1 218.316 1.046 20 0 BDADMP COCCCC[N@@H+]1CCNC[C@@](C)(F)C1 ZINC000420330089 192215273 /nfs/dbraw/zinc/21/52/73/192215273.db2.gz LIVZPTINMWSIAL-LLVKDONJSA-N 2 1 218.316 1.046 20 0 BDADMP COCCCC[N@H+]1CCNC[C@@](C)(F)C1 ZINC000420330089 192215274 /nfs/dbraw/zinc/21/52/74/192215274.db2.gz LIVZPTINMWSIAL-LLVKDONJSA-N 2 1 218.316 1.046 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000639509744 356339178 /nfs/dbraw/zinc/33/91/78/356339178.db2.gz LBXPBQYWMHPDNG-WCQYABFASA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000639509744 356339182 /nfs/dbraw/zinc/33/91/82/356339182.db2.gz LBXPBQYWMHPDNG-WCQYABFASA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1C ZINC000639509744 356339187 /nfs/dbraw/zinc/33/91/87/356339187.db2.gz LBXPBQYWMHPDNG-WCQYABFASA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1C ZINC000639509744 356339189 /nfs/dbraw/zinc/33/91/89/356339189.db2.gz LBXPBQYWMHPDNG-WCQYABFASA-N 2 1 249.358 1.702 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(F)cn1 ZINC000422887969 192499554 /nfs/dbraw/zinc/49/95/54/192499554.db2.gz BUYMWFOCBOVNBU-DTWKUNHWSA-N 2 1 211.284 1.436 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000420339703 192216748 /nfs/dbraw/zinc/21/67/48/192216748.db2.gz OVQAGXZEZBDVRJ-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000420339703 192216750 /nfs/dbraw/zinc/21/67/50/192216750.db2.gz OVQAGXZEZBDVRJ-AGIUHOORSA-N 2 1 225.380 1.045 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000261535425 535301535 /nfs/dbraw/zinc/30/15/35/535301535.db2.gz YMMNEKXDEXDPPE-STQMWFEESA-N 2 1 227.396 1.435 20 0 BDADMP Cc1ccccc1CCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349603 192218325 /nfs/dbraw/zinc/21/83/25/192218325.db2.gz DHWKVIJJPSERBJ-AWEZNQCLSA-N 2 1 236.359 1.179 20 0 BDADMP [NH3+]CC[N@H+](CCO)C[C@@H]1CCCC(F)(F)C1 ZINC000420306440 192208250 /nfs/dbraw/zinc/20/82/50/192208250.db2.gz KZXJXDCGZPXRRV-SNVBAGLBSA-N 2 1 236.306 1.065 20 0 BDADMP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCCC(F)(F)C1 ZINC000420306440 192208251 /nfs/dbraw/zinc/20/82/51/192208251.db2.gz KZXJXDCGZPXRRV-SNVBAGLBSA-N 2 1 236.306 1.065 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307692 192208280 /nfs/dbraw/zinc/20/82/80/192208280.db2.gz CBFNVCBNTWJDBU-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP C[C@]1(CN)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307692 192208283 /nfs/dbraw/zinc/20/82/83/192208283.db2.gz CBFNVCBNTWJDBU-CHWSQXEVSA-N 2 1 225.380 1.047 20 0 BDADMP C[C@]1(CN)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307692 192208285 /nfs/dbraw/zinc/20/82/85/192208285.db2.gz CBFNVCBNTWJDBU-CHWSQXEVSA-N 2 1 225.380 1.047 20 0 BDADMP CC[N@@H+](CCCF)[C@@H]1CCC[NH2+]CC1 ZINC000420306437 192208668 /nfs/dbraw/zinc/20/86/68/192208668.db2.gz HLMOXKJSMCBRJP-LLVKDONJSA-N 2 1 202.317 1.810 20 0 BDADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000420305726 192209514 /nfs/dbraw/zinc/20/95/14/192209514.db2.gz ZEXNNTJCIXGLKW-LBPRGKRZSA-N 2 1 242.363 1.261 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307695 192209577 /nfs/dbraw/zinc/20/95/77/192209577.db2.gz CBFNVCBNTWJDBU-STQMWFEESA-N 3 1 225.380 1.047 20 0 BDADMP C[C@@]1(CN)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307695 192209579 /nfs/dbraw/zinc/20/95/79/192209579.db2.gz CBFNVCBNTWJDBU-STQMWFEESA-N 2 1 225.380 1.047 20 0 BDADMP C[C@@]1(CN)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307695 192209581 /nfs/dbraw/zinc/20/95/81/192209581.db2.gz CBFNVCBNTWJDBU-STQMWFEESA-N 2 1 225.380 1.047 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000420312245 192210963 /nfs/dbraw/zinc/21/09/63/192210963.db2.gz SAMJPXJGOSSMCK-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000420312245 192210966 /nfs/dbraw/zinc/21/09/66/192210966.db2.gz SAMJPXJGOSSMCK-KGLIPLIRSA-N 3 1 239.407 1.532 20 0 BDADMP Nc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccn1 ZINC000420313443 192212508 /nfs/dbraw/zinc/21/25/08/192212508.db2.gz JYDBCIGGKASKJD-GFCCVEGCSA-N 2 1 234.347 1.197 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420314644 192212651 /nfs/dbraw/zinc/21/26/51/192212651.db2.gz VZJKYLMENZVUMB-YNEHKIRRSA-N 2 1 226.364 1.615 20 0 BDADMP CCN1C[C@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000420366401 192226226 /nfs/dbraw/zinc/22/62/26/192226226.db2.gz ULPIZEQUXZINPV-MELADBBJSA-N 2 1 239.407 1.401 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420370777 192227243 /nfs/dbraw/zinc/22/72/43/192227243.db2.gz ZDPCOMSXNXKAMS-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322229 192227396 /nfs/dbraw/zinc/22/73/96/192227396.db2.gz WJJRFSVVLZDJST-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP C(C[N@H+]1CCOC[C@@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000420370269 192227576 /nfs/dbraw/zinc/22/75/76/192227576.db2.gz YVVOSYSSFMQHAY-DGCLKSJQSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)[N@@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000420323405 192227672 /nfs/dbraw/zinc/22/76/72/192227672.db2.gz UDLNWVOQRLHRAL-UHFFFAOYSA-N 2 1 239.407 1.545 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000420370096 192227937 /nfs/dbraw/zinc/22/79/37/192227937.db2.gz YLQCSTHTIRACMB-CYBMUJFWSA-N 2 1 219.332 1.828 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000420370096 192227939 /nfs/dbraw/zinc/22/79/39/192227939.db2.gz YLQCSTHTIRACMB-CYBMUJFWSA-N 2 1 219.332 1.828 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420324263 192229013 /nfs/dbraw/zinc/22/90/13/192229013.db2.gz UWAVRTFWRIBUHO-STQMWFEESA-N 3 1 227.396 1.387 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420324263 192229014 /nfs/dbraw/zinc/22/90/14/192229014.db2.gz UWAVRTFWRIBUHO-STQMWFEESA-N 3 1 227.396 1.387 20 0 BDADMP COCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420358274 192219065 /nfs/dbraw/zinc/21/90/65/192219065.db2.gz FEWMMKKFSMHBJA-GFCCVEGCSA-N 2 1 214.353 1.520 20 0 BDADMP COCCCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420359729 192221206 /nfs/dbraw/zinc/22/12/06/192221206.db2.gz KGUBDASBCYUMBU-SNVBAGLBSA-N 2 1 202.342 1.376 20 0 BDADMP [NH3+]C[C@@H]([NH2+]CCn1cccn1)C1CCCCC1 ZINC000420365859 192224082 /nfs/dbraw/zinc/22/40/82/192224082.db2.gz LTOFDVTZWZWBAY-CYBMUJFWSA-N 2 1 236.363 1.380 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCOC1)C1CCCCC1 ZINC000420364323 192224383 /nfs/dbraw/zinc/22/43/83/192224383.db2.gz KHCFUTUCMSYLRH-WCQYABFASA-N 2 1 226.364 1.520 20 0 BDADMP Cc1[nH+]ccn1CCCN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420394432 192237062 /nfs/dbraw/zinc/23/70/62/192237062.db2.gz KOMCDNUYDVKKQO-NEPJUHHUSA-N 2 1 236.363 1.264 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000420411538 192239107 /nfs/dbraw/zinc/23/91/07/192239107.db2.gz RVFANXZISXYXND-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000420405393 192239253 /nfs/dbraw/zinc/23/92/53/192239253.db2.gz MTHYODRXRPYFTF-JSGCOSHPSA-N 2 1 239.407 1.293 20 0 BDADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000420376705 192231261 /nfs/dbraw/zinc/23/12/61/192231261.db2.gz QZEZZNFWDSGFKE-NEPJUHHUSA-N 2 1 234.347 1.546 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CO)C1 ZINC000049474452 356458446 /nfs/dbraw/zinc/45/84/46/356458446.db2.gz GGLDSPQNIZVQTP-GFCCVEGCSA-N 2 1 214.353 1.033 20 0 BDADMP O[C@H]1C[C@@H](C[N@H+]2CC[C@H](Oc3ccncc3)C2)C1 ZINC000420942428 192288227 /nfs/dbraw/zinc/28/82/27/192288227.db2.gz VGZKJLWZACNUJE-SCRDCRAPSA-N 2 1 248.326 1.306 20 0 BDADMP Cn1cncc1CC[N@@H+](C)[C@H]1CCCOC1 ZINC000639638005 356551684 /nfs/dbraw/zinc/55/16/84/356551684.db2.gz NEUZBSFVXOSIAO-LBPRGKRZSA-N 2 1 223.320 1.073 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000421027783 192309609 /nfs/dbraw/zinc/30/96/09/192309609.db2.gz UEGOSSPUACIRJT-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000421027783 192309612 /nfs/dbraw/zinc/30/96/12/192309612.db2.gz UEGOSSPUACIRJT-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP COC[C@@]1(C)CC[N@@H+](CCc2cncn2C)C1 ZINC000639659407 356568135 /nfs/dbraw/zinc/56/81/35/356568135.db2.gz LKANPLBTFVTVOR-ZDUSSCGKSA-N 2 1 237.347 1.321 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@H]1OC ZINC000422942758 192512323 /nfs/dbraw/zinc/51/23/23/192512323.db2.gz PYVMAUMXSXSQDZ-IJLUTSLNSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000639676531 356585181 /nfs/dbraw/zinc/58/51/81/356585181.db2.gz UHGQVMRICLYMSV-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CO)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704328 356610858 /nfs/dbraw/zinc/61/08/58/356610858.db2.gz QQLZEWFWIFBUSB-ZDUSSCGKSA-N 2 1 249.358 1.222 20 0 BDADMP CC(C)[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422983231 192517820 /nfs/dbraw/zinc/51/78/20/192517820.db2.gz ZBPMNZRBDOMQHV-AGIUHOORSA-N 2 1 228.380 1.514 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423013087 192538315 /nfs/dbraw/zinc/53/83/15/192538315.db2.gz MADSTAHEJRLJEL-ZDEQEGDKSA-N 2 1 226.364 1.674 20 0 BDADMP CC[C@@H]([NH2+]CCc1cnccn1)[C@@H]1CCC[NH2+]1 ZINC000423085595 192563318 /nfs/dbraw/zinc/56/33/18/192563318.db2.gz KWOXBUYQAXKPFF-OLZOCXBDSA-N 2 1 234.347 1.139 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000167610309 134152838 /nfs/dbraw/zinc/15/28/38/134152838.db2.gz CLQLOTDHSXUUAG-AAEUAGOBSA-N 2 1 219.332 1.498 20 0 BDADMP C[C@H](c1cccnc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088330016 356662841 /nfs/dbraw/zinc/66/28/41/356662841.db2.gz HVGYHZQHAJYPEQ-RAIGVLPGSA-N 2 1 217.316 1.294 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754660 356657043 /nfs/dbraw/zinc/65/70/43/356657043.db2.gz DGWJVXOTIJFQEY-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C(C)(F)F ZINC000389451242 356675738 /nfs/dbraw/zinc/67/57/38/356675738.db2.gz SUZUAYAXGMZTBW-DTWKUNHWSA-N 2 1 224.295 1.374 20 0 BDADMP C[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000167660111 134153966 /nfs/dbraw/zinc/15/39/66/134153966.db2.gz MQEDHQMIFYPCHP-IUCAKERBSA-N 2 1 224.270 1.856 20 0 BDADMP CC[C@H](C)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765476 356694152 /nfs/dbraw/zinc/69/41/52/356694152.db2.gz ISZQZCXWFRJCDD-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@H](C)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765476 356694156 /nfs/dbraw/zinc/69/41/56/356694156.db2.gz ISZQZCXWFRJCDD-QWHCGFSZSA-N 2 1 228.380 1.421 20 0 BDADMP CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000450402268 202156164 /nfs/dbraw/zinc/15/61/64/202156164.db2.gz KQJNNGFGAXAYCL-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450431566 202164307 /nfs/dbraw/zinc/16/43/07/202164307.db2.gz ZZIFKBORNBKRET-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000358232307 356863374 /nfs/dbraw/zinc/86/33/74/356863374.db2.gz UXGQAKZVKMDCLU-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358265393 356865430 /nfs/dbraw/zinc/86/54/30/356865430.db2.gz ZUZLJGGHBAKSTJ-HUUCEWRRSA-N 2 1 248.370 1.794 20 0 BDADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358265393 356865434 /nfs/dbraw/zinc/86/54/34/356865434.db2.gz ZUZLJGGHBAKSTJ-HUUCEWRRSA-N 2 1 248.370 1.794 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423188205 192616456 /nfs/dbraw/zinc/61/64/56/192616456.db2.gz PUYMFCPGAIATFT-DGCLKSJQSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623377274 356896782 /nfs/dbraw/zinc/89/67/82/356896782.db2.gz SPOMYXMGHMBXEO-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623377274 356896786 /nfs/dbraw/zinc/89/67/86/356896786.db2.gz SPOMYXMGHMBXEO-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623377274 356896789 /nfs/dbraw/zinc/89/67/89/356896789.db2.gz SPOMYXMGHMBXEO-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623377274 356896792 /nfs/dbraw/zinc/89/67/92/356896792.db2.gz SPOMYXMGHMBXEO-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623377274 356896794 /nfs/dbraw/zinc/89/67/94/356896794.db2.gz SPOMYXMGHMBXEO-QWHCGFSZSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000450552112 202196052 /nfs/dbraw/zinc/19/60/52/202196052.db2.gz HEDQKDBTUAQHLT-CYBMUJFWSA-N 2 1 228.380 1.610 20 0 BDADMP C[C@H](C[NH3+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389788444 357032693 /nfs/dbraw/zinc/03/26/93/357032693.db2.gz NSMTXEWTVCRCMK-GZBFAFLISA-N 2 1 247.386 1.444 20 0 BDADMP CC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523895 357012076 /nfs/dbraw/zinc/01/20/76/357012076.db2.gz YTBQUDKQJFNFCH-AGUYFDCRSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623395491 357018622 /nfs/dbraw/zinc/01/86/22/357018622.db2.gz NRLRGLQMUMLTCJ-WDEREUQCSA-N 2 1 228.380 1.608 20 0 BDADMP CC[C@H](CSC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000390562821 357105029 /nfs/dbraw/zinc/10/50/29/357105029.db2.gz KWCNDXQQFRNKGK-PWSUYJOCSA-N 2 1 246.420 1.173 20 0 BDADMP CC[C@H](CSC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000390562821 357105030 /nfs/dbraw/zinc/10/50/30/357105030.db2.gz KWCNDXQQFRNKGK-PWSUYJOCSA-N 2 1 246.420 1.173 20 0 BDADMP CCC1(CC)[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C[C@H]1OC ZINC000423241277 192647155 /nfs/dbraw/zinc/64/71/55/192647155.db2.gz UWHYPBUVOVTGMF-JHJVBQTASA-N 2 1 240.391 1.922 20 0 BDADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000389990621 357081494 /nfs/dbraw/zinc/08/14/94/357081494.db2.gz OCSJSSLDBDYSBP-LBPRGKRZSA-N 2 1 209.337 1.987 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)O)[C@@H](C)C1 ZINC000389997457 357081767 /nfs/dbraw/zinc/08/17/67/357081767.db2.gz QZPAFLRMJJOENJ-SDDRHHMPSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000390578249 357101397 /nfs/dbraw/zinc/10/13/97/357101397.db2.gz WNGNMASAHNRPPR-LDYMZIIASA-N 2 1 208.309 1.030 20 0 BDADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000390578249 357101400 /nfs/dbraw/zinc/10/14/00/357101400.db2.gz WNGNMASAHNRPPR-LDYMZIIASA-N 2 1 208.309 1.030 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnc(C)c1 ZINC000391183036 357125787 /nfs/dbraw/zinc/12/57/87/357125787.db2.gz LRANQJGFUWDVMQ-UHFFFAOYSA-N 2 1 230.315 1.685 20 0 BDADMP CC(C)(F)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000631662153 357215723 /nfs/dbraw/zinc/21/57/23/357215723.db2.gz LSQIQHDPWODOOU-UHFFFAOYSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@@H]1C[N@H+]([C@@H]2CCCSC2)C[C@H]1[NH3+] ZINC000300048886 357177199 /nfs/dbraw/zinc/17/71/99/357177199.db2.gz NMHZBGBOMZIEPC-OPRDCNLKSA-N 2 1 200.351 1.161 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000423272286 192664571 /nfs/dbraw/zinc/66/45/71/192664571.db2.gz JSXPZKYYCVMFHZ-RYUDHWBXSA-N 2 1 238.379 1.970 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C ZINC000393764723 357297601 /nfs/dbraw/zinc/29/76/01/357297601.db2.gz AUSOWAMRRSVFFI-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C ZINC000393764723 357297607 /nfs/dbraw/zinc/29/76/07/357297607.db2.gz AUSOWAMRRSVFFI-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C ZINC000393764723 357297610 /nfs/dbraw/zinc/29/76/10/357297610.db2.gz AUSOWAMRRSVFFI-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1C ZINC000393764723 357297614 /nfs/dbraw/zinc/29/76/14/357297614.db2.gz AUSOWAMRRSVFFI-OLZOCXBDSA-N 2 1 228.380 1.564 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000628425598 357252258 /nfs/dbraw/zinc/25/22/58/357252258.db2.gz PWYMOGDTZQRBQG-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CSC2)C1 ZINC000628425464 357252774 /nfs/dbraw/zinc/25/27/74/357252774.db2.gz LTEMAQFBAICVSL-SNVBAGLBSA-N 2 1 214.378 1.423 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000423281002 192673500 /nfs/dbraw/zinc/67/35/00/192673500.db2.gz VFZWHKMXTMTYRB-NXEZZACHSA-N 2 1 236.363 1.600 20 0 BDADMP C(CN1CC[NH+](C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000393188244 357278574 /nfs/dbraw/zinc/27/85/74/357278574.db2.gz QWYAKNREOZYWKB-CYBMUJFWSA-N 2 1 237.391 1.156 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)NC[C@@H]2C)CC[NH2+]1 ZINC000414769030 491110207 /nfs/dbraw/zinc/11/02/07/491110207.db2.gz VYZLEZRANQZNAA-MROQNXINSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000414769030 491110209 /nfs/dbraw/zinc/11/02/09/491110209.db2.gz VYZLEZRANQZNAA-MROQNXINSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccno2)C[C@@H]1C[NH3+] ZINC000397300167 357511631 /nfs/dbraw/zinc/51/16/31/357511631.db2.gz DHBRVQBGYGZOLM-MXWKQRLJSA-N 2 1 223.320 1.480 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccno2)C[C@@H]1C[NH3+] ZINC000397300167 357511636 /nfs/dbraw/zinc/51/16/36/357511636.db2.gz DHBRVQBGYGZOLM-MXWKQRLJSA-N 2 1 223.320 1.480 20 0 BDADMP Cc1cnc(C)nc1NCC[N@H+](C)C1CC1 ZINC000583033916 357464342 /nfs/dbraw/zinc/46/43/42/357464342.db2.gz HAPJTXPPMWNNRH-UHFFFAOYSA-N 2 1 220.320 1.021 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000397300165 357511599 /nfs/dbraw/zinc/51/15/99/357511599.db2.gz DHBRVQBGYGZOLM-GMTAPVOTSA-N 2 1 223.320 1.480 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000397300165 357511604 /nfs/dbraw/zinc/51/16/04/357511604.db2.gz DHBRVQBGYGZOLM-GMTAPVOTSA-N 2 1 223.320 1.480 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](OC)C2)CC1 ZINC000231691275 357622251 /nfs/dbraw/zinc/62/22/51/357622251.db2.gz ZVYYVTSOFLGDHS-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)[NH+](CC[NH2+]C1CCC(O)CC1)C(C)C ZINC000232644881 357669509 /nfs/dbraw/zinc/66/95/09/357669509.db2.gz QIQZRSOORONKKU-UHFFFAOYSA-N 2 1 242.407 1.998 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000168513622 134224976 /nfs/dbraw/zinc/22/49/76/134224976.db2.gz IBKCHMYWLIVBQT-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP Cc1c[nH+]ccc1N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000192567074 357844137 /nfs/dbraw/zinc/84/41/37/357844137.db2.gz YVUZRHFEEDRTNN-STQMWFEESA-N 2 1 249.358 1.911 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+]CCC1(F)CCC1)C1CC1 ZINC000583317845 357900301 /nfs/dbraw/zinc/90/03/01/357900301.db2.gz BGMMTRFPCWWEAG-GFCCVEGCSA-N 2 1 244.354 1.313 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1(F)CCC1)C1CC1 ZINC000583317845 357900305 /nfs/dbraw/zinc/90/03/05/357900305.db2.gz BGMMTRFPCWWEAG-GFCCVEGCSA-N 2 1 244.354 1.313 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1C2CCC1CC2)C1CC1 ZINC000399398731 357905788 /nfs/dbraw/zinc/90/57/88/357905788.db2.gz NDMMSGKGQFYAJR-BPCQOVAHSA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1C2CCC1CC2)C1CC1 ZINC000399398731 357905791 /nfs/dbraw/zinc/90/57/91/357905791.db2.gz NDMMSGKGQFYAJR-BPCQOVAHSA-N 2 1 224.348 1.068 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000584404662 357912237 /nfs/dbraw/zinc/91/22/37/357912237.db2.gz JITAAVAFZPZJHW-MNOVXSKESA-N 3 1 201.358 1.090 20 0 BDADMP C[NH2+]CCSCCCCn1cc[nH+]c1C ZINC000583750699 357934111 /nfs/dbraw/zinc/93/41/11/357934111.db2.gz HBSTXSYGWYHGGT-UHFFFAOYSA-N 2 1 227.377 1.924 20 0 BDADMP C[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983598 358026159 /nfs/dbraw/zinc/02/61/59/358026159.db2.gz KJVBFOIWTKDYIB-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP COC[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982729 358026525 /nfs/dbraw/zinc/02/65/25/358026525.db2.gz STPAUCKBZOIXFP-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP CCC1([NH+]2CCCC2)CC[NH+](CCOC)CC1 ZINC000639988441 358027950 /nfs/dbraw/zinc/02/79/50/358027950.db2.gz RPQPLZUCVCZBSE-UHFFFAOYSA-N 2 1 240.391 1.973 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCF)CC1 ZINC000639989435 358029591 /nfs/dbraw/zinc/02/95/91/358029591.db2.gz FMQKQIJBTBPMRY-ZDUSSCGKSA-N 2 1 246.370 1.371 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCF)CC1 ZINC000639989435 358029595 /nfs/dbraw/zinc/02/95/95/358029595.db2.gz FMQKQIJBTBPMRY-ZDUSSCGKSA-N 2 1 246.370 1.371 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)CC[N@@H+]1C ZINC000090721295 363596319 /nfs/dbraw/zinc/59/63/19/363596319.db2.gz GUYUXYMFHUVLJL-AAEUAGOBSA-N 2 1 234.343 1.965 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)CC[N@H+]1C ZINC000090721295 363596321 /nfs/dbraw/zinc/59/63/21/363596321.db2.gz GUYUXYMFHUVLJL-AAEUAGOBSA-N 2 1 234.343 1.965 20 0 BDADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000584590243 358095626 /nfs/dbraw/zinc/09/56/26/358095626.db2.gz RLPMHPXBDXXGGZ-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@]1(O)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000640036879 358136967 /nfs/dbraw/zinc/13/69/67/358136967.db2.gz YOOIRUZQSVECBD-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(O)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000640036879 358136971 /nfs/dbraw/zinc/13/69/71/358136971.db2.gz YOOIRUZQSVECBD-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@]1(O)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000640036879 358136973 /nfs/dbraw/zinc/13/69/73/358136973.db2.gz YOOIRUZQSVECBD-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223002502 358214057 /nfs/dbraw/zinc/21/40/57/358214057.db2.gz FVRSWMCZNYKKQA-VXGBXAGGSA-N 3 1 213.369 1.186 20 0 BDADMP CC(C)N(C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223002502 358214058 /nfs/dbraw/zinc/21/40/58/358214058.db2.gz FVRSWMCZNYKKQA-VXGBXAGGSA-N 2 1 213.369 1.186 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000222940127 358216225 /nfs/dbraw/zinc/21/62/25/358216225.db2.gz GNLYEMQICJFHKK-RQJABVFESA-N 2 1 237.391 1.473 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224405949 358233352 /nfs/dbraw/zinc/23/33/52/358233352.db2.gz JIHRHXSBPQNBBY-NEPJUHHUSA-N 2 1 228.405 1.671 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040622825 358244086 /nfs/dbraw/zinc/24/40/86/358244086.db2.gz BCJWAOIJATXYQK-LBPRGKRZSA-N 2 1 236.363 1.538 20 0 BDADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622825 358244091 /nfs/dbraw/zinc/24/40/91/358244091.db2.gz BCJWAOIJATXYQK-LBPRGKRZSA-N 2 1 236.363 1.538 20 0 BDADMP COC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000226703705 358343510 /nfs/dbraw/zinc/34/35/10/358343510.db2.gz DKVITQHNNNYLDK-VXGBXAGGSA-N 2 1 214.353 1.341 20 0 BDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228180786 358369878 /nfs/dbraw/zinc/36/98/78/358369878.db2.gz IDNHWHDNKHABDE-MWLCHTKSSA-N 2 1 239.388 1.806 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228536219 358377318 /nfs/dbraw/zinc/37/73/18/358377318.db2.gz BPFRPQXEPYUVJX-YVECIDJPSA-N 2 1 246.358 1.597 20 0 BDADMP COCC[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000045044554 358400496 /nfs/dbraw/zinc/40/04/96/358400496.db2.gz HKDKBFXDGHKVAP-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP Cc1ccc(CC[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000211429579 358447791 /nfs/dbraw/zinc/44/77/91/358447791.db2.gz OTQBYCYGCXSYOG-CQSZACIVSA-N 2 1 218.344 1.818 20 0 BDADMP CCC(CC)C[N@@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000578241922 366468747 /nfs/dbraw/zinc/46/87/47/366468747.db2.gz ANCLQUOZWAKTNN-CYBMUJFWSA-N 2 1 230.396 1.715 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000086403521 358967458 /nfs/dbraw/zinc/96/74/58/358967458.db2.gz POJINFDUBJXEJX-RKDXNWHRSA-N 2 1 211.334 1.503 20 0 BDADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000177724125 134301450 /nfs/dbraw/zinc/30/14/50/134301450.db2.gz DSMXJLQHLNQTBG-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000177724125 134301451 /nfs/dbraw/zinc/30/14/51/134301451.db2.gz DSMXJLQHLNQTBG-CQSZACIVSA-N 2 1 240.391 1.423 20 0 BDADMP COC(=O)CCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721170 359032455 /nfs/dbraw/zinc/03/24/55/359032455.db2.gz PFNQNNJSTUUUBI-NSHDSACASA-N 2 1 228.336 1.143 20 0 BDADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c(F)cn1 ZINC000423312934 192698741 /nfs/dbraw/zinc/69/87/41/192698741.db2.gz VUJVICCBXVQJQS-RKDXNWHRSA-N 2 1 241.310 1.475 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cn[nH]c1 ZINC000423327618 192707934 /nfs/dbraw/zinc/70/79/34/192707934.db2.gz DCIIIEYCXLWOSV-ZYHUDNBSSA-N 2 1 222.336 1.450 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000246487163 359119469 /nfs/dbraw/zinc/11/94/69/359119469.db2.gz AJIZQNVFCDFVBJ-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCO2)CC[N@H+]1C ZINC000246487163 359119474 /nfs/dbraw/zinc/11/94/74/359119474.db2.gz AJIZQNVFCDFVBJ-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCO2)CC[NH+]1C ZINC000246487163 359119477 /nfs/dbraw/zinc/11/94/77/359119477.db2.gz AJIZQNVFCDFVBJ-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCO2)CC[NH+]1C ZINC000246487163 359119481 /nfs/dbraw/zinc/11/94/81/359119481.db2.gz AJIZQNVFCDFVBJ-JHJVBQTASA-N 2 1 226.364 1.580 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)[C@@H](C)C1 ZINC000247186655 359199887 /nfs/dbraw/zinc/19/98/87/359199887.db2.gz VNWTWSIJNHDOPG-ZFWWWQNUSA-N 2 1 247.386 1.944 20 0 BDADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000247392378 359217755 /nfs/dbraw/zinc/21/77/55/359217755.db2.gz WANFCZNGEIZNHA-JSGCOSHPSA-N 2 1 240.391 1.611 20 0 BDADMP CC[C@@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623443756 359333633 /nfs/dbraw/zinc/33/36/33/359333633.db2.gz MDVHRWZLSKBJBZ-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](CCCc2ccncc2)C1 ZINC000580445853 359562776 /nfs/dbraw/zinc/56/27/76/359562776.db2.gz IWKUKRZZQHVVMF-CQSZACIVSA-N 2 1 233.359 1.685 20 0 BDADMP CCc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000450956903 202319674 /nfs/dbraw/zinc/31/96/74/202319674.db2.gz SIDFNSDPSDIEHX-LBPRGKRZSA-N 2 1 249.358 1.147 20 0 BDADMP C[N@@H+](C[C@@H](O)CN1CCC[C@](C)(F)C1)C1CC1 ZINC000451112895 202354438 /nfs/dbraw/zinc/35/44/38/202354438.db2.gz IUXCIOWOKPGDJM-OLZOCXBDSA-N 2 1 244.354 1.266 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000087014451 359893784 /nfs/dbraw/zinc/89/37/84/359893784.db2.gz WPIKJIZKDZGHRN-YNEHKIRRSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C[C@H](C)O1 ZINC000578723021 366632529 /nfs/dbraw/zinc/63/25/29/366632529.db2.gz WLNAHEQUKJWHOE-UNJBNNCHSA-N 2 1 240.391 1.872 20 0 BDADMP CC(C)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089424646 360020023 /nfs/dbraw/zinc/02/00/23/360020023.db2.gz WIUIKPHUUCAQNV-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP CC(C)CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749410 360037260 /nfs/dbraw/zinc/03/72/60/360037260.db2.gz UNCGOKCDOYTMDH-CQSZACIVSA-N 2 1 239.407 1.260 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000121087033 360088079 /nfs/dbraw/zinc/08/80/79/360088079.db2.gz MNSMIPQVNFKLDU-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP CC(C)(C)CC[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666441 360122199 /nfs/dbraw/zinc/12/21/99/360122199.db2.gz BMAJCVXQBPTIEB-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)CC[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666441 360122203 /nfs/dbraw/zinc/12/22/03/360122203.db2.gz BMAJCVXQBPTIEB-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+](C)C ZINC000093496206 360250951 /nfs/dbraw/zinc/25/09/51/360250951.db2.gz SBRVSTGQLOILII-ZIAGYGMSSA-N 3 1 241.423 1.839 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CCC[NH2+]CC1 ZINC000224608815 360522341 /nfs/dbraw/zinc/52/23/41/360522341.db2.gz SQZJOEKVRLIRFV-SNVBAGLBSA-N 2 1 200.351 1.035 20 0 BDADMP [NH3+][C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000414903321 200779577 /nfs/dbraw/zinc/77/95/77/200779577.db2.gz ZMTVGIAPJZTULA-GFCCVEGCSA-N 2 1 248.326 1.285 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410579 361060168 /nfs/dbraw/zinc/06/01/68/361060168.db2.gz HBWHGHPAIILXEY-KZVDOYCCSA-N 2 1 237.391 1.199 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629521542 361117819 /nfs/dbraw/zinc/11/78/19/361117819.db2.gz UNWBEGUBEMZCSA-WCFLWFBJSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000629511913 361106289 /nfs/dbraw/zinc/10/62/89/361106289.db2.gz NJZRRDMHNVEJAS-CMPLNLGQSA-N 2 1 212.337 1.082 20 0 BDADMP CCO[C@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000629532050 361151829 /nfs/dbraw/zinc/15/18/29/361151829.db2.gz JLMVABYKSKQOGN-QWHCGFSZSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000629532050 361151833 /nfs/dbraw/zinc/15/18/33/361151833.db2.gz JLMVABYKSKQOGN-QWHCGFSZSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccncc1 ZINC000629522823 361122757 /nfs/dbraw/zinc/12/27/57/361122757.db2.gz CETPFMIBLXJPPF-LLVKDONJSA-N 2 1 235.331 1.240 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@@H](C)OC ZINC000629526205 361127735 /nfs/dbraw/zinc/12/77/35/361127735.db2.gz NCQSZUMNVWHMRY-CHWFTXMASA-N 2 1 200.326 1.140 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158591526 361204906 /nfs/dbraw/zinc/20/49/06/361204906.db2.gz AIIVTJRPLMAWSI-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CCSCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000158562563 361203716 /nfs/dbraw/zinc/20/37/16/361203716.db2.gz XGXNPNJTYKMUJU-GHMZBOCLSA-N 2 1 216.394 1.941 20 0 BDADMP CCSCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000158562563 361203719 /nfs/dbraw/zinc/20/37/19/361203719.db2.gz XGXNPNJTYKMUJU-GHMZBOCLSA-N 2 1 216.394 1.941 20 0 BDADMP COCCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000158708337 361210187 /nfs/dbraw/zinc/21/01/87/361210187.db2.gz YMLZEYJKBHTYDD-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532217 361302349 /nfs/dbraw/zinc/30/23/49/361302349.db2.gz BPYUHBJJWPUGQN-CQSZACIVSA-N 2 1 242.407 1.955 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000622044333 370672895 /nfs/dbraw/zinc/67/28/95/370672895.db2.gz AXHKTUGPYNPKDT-AEJSXWLSSA-N 2 1 208.309 1.216 20 0 BDADMP CC[C@@H](CSC)[NH2+]C1CC[NH+](C)CC1 ZINC000162368467 361348361 /nfs/dbraw/zinc/34/83/61/361348361.db2.gz YBYRPEXDNHNLOP-JTQLQIEISA-N 2 1 216.394 1.812 20 0 BDADMP COc1ccsc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309909658 491158016 /nfs/dbraw/zinc/15/80/16/491158016.db2.gz LYOUJWRRXLVQDC-NXEZZACHSA-N 2 1 238.356 1.408 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534863 361408417 /nfs/dbraw/zinc/40/84/17/361408417.db2.gz BDQZPHTUYOJENX-GRYCIOLGSA-N 2 1 214.353 1.532 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629543175 361422038 /nfs/dbraw/zinc/42/20/38/361422038.db2.gz VIBRCUXUDLLFBY-FQUUOJAGSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000629545824 361426687 /nfs/dbraw/zinc/42/66/87/361426687.db2.gz CTINFGMDYXOXRH-DEQVHRJGSA-N 2 1 238.375 1.674 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C[C@@H]1OC ZINC000629546702 361429223 /nfs/dbraw/zinc/42/92/23/361429223.db2.gz XCDJOWQBNZAUIM-LOWDOPEQSA-N 2 1 240.391 1.920 20 0 BDADMP C[C@H](N[C@@H]1CC[NH2+][C@H]1C)C1CC[NH+](C)CC1 ZINC000629548541 361434219 /nfs/dbraw/zinc/43/42/19/361434219.db2.gz QAWHLGFDLDBIEW-GMXVVIOVSA-N 2 1 225.380 1.057 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)C1CC1 ZINC000629550544 361443158 /nfs/dbraw/zinc/44/31/58/361443158.db2.gz ZEMIMVZAXGQMFV-KGYLQXTDSA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430111936 201144685 /nfs/dbraw/zinc/14/46/85/201144685.db2.gz APMCJQUPOYXZTR-UPJWGTAASA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430111936 201144689 /nfs/dbraw/zinc/14/46/89/201144689.db2.gz APMCJQUPOYXZTR-UPJWGTAASA-N 2 1 208.349 1.670 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430111936 201144692 /nfs/dbraw/zinc/14/46/92/201144692.db2.gz APMCJQUPOYXZTR-UPJWGTAASA-N 2 1 208.349 1.670 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C[NH2+]1 ZINC000629542390 361419541 /nfs/dbraw/zinc/41/95/41/361419541.db2.gz YNEXSQLLVGUJCN-WTIISPKJSA-N 3 1 225.380 1.234 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnccc1C ZINC000629572137 361463963 /nfs/dbraw/zinc/46/39/63/361463963.db2.gz NTSZYSPUWIYRBB-UHFFFAOYSA-N 2 1 237.347 1.058 20 0 BDADMP C[N@@H+](CCCCC(F)(F)F)CCOCC[NH3+] ZINC000629577897 361467639 /nfs/dbraw/zinc/46/76/39/361467639.db2.gz KTJJGDUSKOEYEQ-UHFFFAOYSA-N 2 1 242.285 1.626 20 0 BDADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629576770 361468003 /nfs/dbraw/zinc/46/80/03/361468003.db2.gz SXIMZBLDWRAODI-NXEZZACHSA-N 2 1 218.291 1.716 20 0 BDADMP CC[C@@H](C)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594999 361481572 /nfs/dbraw/zinc/48/15/72/361481572.db2.gz LGKLCVJZZCRHPF-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCF)C2 ZINC000629595250 361482272 /nfs/dbraw/zinc/48/22/72/361482272.db2.gz OPBAXODGWSGJGK-PHIMTYICSA-N 2 1 200.301 1.277 20 0 BDADMP C/C=C/C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629602375 361492525 /nfs/dbraw/zinc/49/25/25/361492525.db2.gz CXBJLSKYZQTZBD-BWPKMQGJSA-N 2 1 248.370 1.645 20 0 BDADMP C/C=C/C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000629602375 361492533 /nfs/dbraw/zinc/49/25/33/361492533.db2.gz CXBJLSKYZQTZBD-BWPKMQGJSA-N 2 1 248.370 1.645 20 0 BDADMP C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000629566797 361457612 /nfs/dbraw/zinc/45/76/12/361457612.db2.gz HVSZJRVVXBQCTK-FRRDWIJNSA-N 2 1 224.348 1.239 20 0 BDADMP CC[C@H]([NH2+]CCC[NH+](C)C)c1cnn(C)c1 ZINC000151907214 201186827 /nfs/dbraw/zinc/18/68/27/201186827.db2.gz JVDKUPAGIRDUEV-LBPRGKRZSA-N 2 1 224.352 1.413 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1=CCCOC1 ZINC000629646807 361535528 /nfs/dbraw/zinc/53/55/28/361535528.db2.gz FDQRENKHNGAKRU-JQWIXIFHSA-N 2 1 210.321 1.002 20 0 BDADMP CS[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000448545868 201197888 /nfs/dbraw/zinc/19/78/88/201197888.db2.gz NWQWRBHOJPNUGX-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP CS[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000448545868 201197890 /nfs/dbraw/zinc/19/78/90/201197890.db2.gz NWQWRBHOJPNUGX-NEPJUHHUSA-N 2 1 228.405 1.908 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629647553 361538077 /nfs/dbraw/zinc/53/80/77/361538077.db2.gz ZEPWVRTZKWQOJP-ZYHUDNBSSA-N 2 1 207.321 1.194 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1=CCCOC1 ZINC000629648773 361542280 /nfs/dbraw/zinc/54/22/80/361542280.db2.gz VBNRZATXRYKCIE-NSHDSACASA-N 2 1 212.337 1.296 20 0 BDADMP C[C@H]([N@@H+](C)CC[C@@H]1CCC[NH+]1C)C(C)(C)O ZINC000448546767 201202760 /nfs/dbraw/zinc/20/27/60/201202760.db2.gz MFMPEHSLLNKQFI-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]([NH+](C)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)O ZINC000448546767 201202763 /nfs/dbraw/zinc/20/27/63/201202763.db2.gz MFMPEHSLLNKQFI-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]([NH+](C)CC[C@@H]1CCC[N@H+]1C)C(C)(C)O ZINC000448546767 201202767 /nfs/dbraw/zinc/20/27/67/201202767.db2.gz MFMPEHSLLNKQFI-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@@H]1C[NH+](CC(C)(C)[NH3+])C[C@@H](C)C1(F)F ZINC000629650194 361547774 /nfs/dbraw/zinc/54/77/74/361547774.db2.gz QLDARUHHKUWQQU-RKDXNWHRSA-N 2 1 220.307 1.947 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629653999 361554643 /nfs/dbraw/zinc/55/46/43/361554643.db2.gz KZKLTSPVVZDCFB-OLZOCXBDSA-N 2 1 240.416 1.956 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629651422 361556309 /nfs/dbraw/zinc/55/63/09/361556309.db2.gz FXCAHQFNJNHWNY-AAEUAGOBSA-N 2 1 224.348 1.535 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629651422 361556312 /nfs/dbraw/zinc/55/63/12/361556312.db2.gz FXCAHQFNJNHWNY-AAEUAGOBSA-N 2 1 224.348 1.535 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](CCF)C2)CC[NH2+]1 ZINC000629666482 361587589 /nfs/dbraw/zinc/58/75/89/361587589.db2.gz REMFRRTWIXWUHB-JHJVBQTASA-N 2 1 244.354 1.435 20 0 BDADMP Cc1[nH+]ccn1-c1cncc(C2=CC[NH2+]CC2)c1 ZINC000629723243 361664666 /nfs/dbraw/zinc/66/46/66/361664666.db2.gz LETKWDFDILYMKT-UHFFFAOYSA-N 2 1 240.310 1.952 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626578 201279088 /nfs/dbraw/zinc/27/90/88/201279088.db2.gz OXKBLVGRDNFVGX-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000154558561 201283277 /nfs/dbraw/zinc/28/32/77/201283277.db2.gz ANAPOPCTAAQWFF-JQWIXIFHSA-N 2 1 241.379 1.103 20 0 BDADMP CCOC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000154869548 201297464 /nfs/dbraw/zinc/29/74/64/201297464.db2.gz CBROHFAQGVUWSK-LBPRGKRZSA-N 2 1 244.379 1.112 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000438117160 201393326 /nfs/dbraw/zinc/39/33/26/201393326.db2.gz UWOQQHQXGZCFLI-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC[C@@H]3CCOC3)[C@H]2C1 ZINC000437793071 201374982 /nfs/dbraw/zinc/37/49/82/201374982.db2.gz MUEFYKUZJQGAQT-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CC[C@@H]3CCOC3)[C@H]2C1 ZINC000437793071 201374984 /nfs/dbraw/zinc/37/49/84/201374984.db2.gz MUEFYKUZJQGAQT-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CC[C@@H]3CCOC3)[C@H]2C1 ZINC000437793071 201374988 /nfs/dbraw/zinc/37/49/88/201374988.db2.gz MUEFYKUZJQGAQT-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC[C@@H]3CCOC3)[C@H]2C1 ZINC000437793071 201374991 /nfs/dbraw/zinc/37/49/91/201374991.db2.gz MUEFYKUZJQGAQT-MCIONIFRSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@@H]2CCC[C@@H]21 ZINC000631670580 364203522 /nfs/dbraw/zinc/20/35/22/364203522.db2.gz BSZCCDXLUBVNHK-NDKCEZKHSA-N 2 1 238.375 1.220 20 0 BDADMP c1c(C[NH+]2CCCCC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630604223 364327094 /nfs/dbraw/zinc/32/70/94/364327094.db2.gz PCPRWIRGCZOOFA-LBPRGKRZSA-N 2 1 249.362 1.016 20 0 BDADMP CCc1nc(NC[C@@H](C)C[NH+](C)C)cc(C)[nH+]1 ZINC000292017048 364771738 /nfs/dbraw/zinc/77/17/38/364771738.db2.gz ZYBMJRVPMFNKRM-SNVBAGLBSA-N 2 1 236.363 1.957 20 0 BDADMP CC(C)[NH2+]C1(CO)CC[NH+](CC[C@@H](C)F)CC1 ZINC000573384174 364819331 /nfs/dbraw/zinc/81/93/31/364819331.db2.gz RUUHUXMMPBMIQM-GFCCVEGCSA-N 2 1 246.370 1.559 20 0 BDADMP CC(C)[NH2+]C1(CO)CC[NH+](CC[C@H](C)F)CC1 ZINC000573384175 364819976 /nfs/dbraw/zinc/81/99/76/364819976.db2.gz RUUHUXMMPBMIQM-LBPRGKRZSA-N 2 1 246.370 1.559 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000574031247 364968418 /nfs/dbraw/zinc/96/84/18/364968418.db2.gz HNDNXOSMPHAKCG-STQMWFEESA-N 2 1 236.363 1.251 20 0 BDADMP [NH3+]CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062031709 181379439 /nfs/dbraw/zinc/37/94/39/181379439.db2.gz YSSMGONAJQOKOB-UHFFFAOYSA-N 2 1 225.380 1.143 20 0 BDADMP CC(C)(CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250686008 541440153 /nfs/dbraw/zinc/44/01/53/541440153.db2.gz FHJANRABLLOVGM-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP CC(C)O[C@@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000574449601 365063630 /nfs/dbraw/zinc/06/36/30/365063630.db2.gz GWUADJWJLRBSMA-CYBMUJFWSA-N 2 1 237.347 1.462 20 0 BDADMP [NH3+]CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000037039698 181392263 /nfs/dbraw/zinc/39/22/63/181392263.db2.gz VCQMPPXYHFFWJX-UHFFFAOYSA-N 2 1 233.359 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563095 365088652 /nfs/dbraw/zinc/08/86/52/365088652.db2.gz QEHLIVZRRSZRBC-BZPMIXESSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000574563095 365088658 /nfs/dbraw/zinc/08/86/58/365088658.db2.gz QEHLIVZRRSZRBC-BZPMIXESSA-N 2 1 239.407 1.304 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000574629975 365106110 /nfs/dbraw/zinc/10/61/10/365106110.db2.gz KZAVSVOWESWJJI-GFCCVEGCSA-N 2 1 224.352 1.460 20 0 BDADMP CC(C)Cn1cc(C[N@H+](C)CCC[NH3+])cn1 ZINC000574691132 365122826 /nfs/dbraw/zinc/12/28/26/365122826.db2.gz BGYAFVZJNNJTJJ-UHFFFAOYSA-N 2 1 224.352 1.320 20 0 BDADMP CC(C)Cn1cc(C[N@@H+](C)CCC[NH3+])cn1 ZINC000574691132 365122830 /nfs/dbraw/zinc/12/28/30/365122830.db2.gz BGYAFVZJNNJTJJ-UHFFFAOYSA-N 2 1 224.352 1.320 20 0 BDADMP C[NH2+][C@H](C)Cc1noc([C@H]2C[C@H](C)CC[NH2+]2)n1 ZINC000574876326 365165380 /nfs/dbraw/zinc/16/53/80/365165380.db2.gz DEEPPGPRZVFHKM-OPRDCNLKSA-N 2 1 238.335 1.281 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@@H]2CCCC[C@H]12 ZINC000574811303 365146057 /nfs/dbraw/zinc/14/60/57/365146057.db2.gz GXXSCERLXBWQHL-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000575740594 365348172 /nfs/dbraw/zinc/34/81/72/365348172.db2.gz DDWMCUVGZXENSK-OLZOCXBDSA-N 2 1 228.380 1.469 20 0 BDADMP CC(C)[NH2+]CCCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000575980128 365432054 /nfs/dbraw/zinc/43/20/54/365432054.db2.gz UTHDCHIRKXVEBU-OCCSQVGLSA-N 2 1 239.407 1.447 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000579713022 366989450 /nfs/dbraw/zinc/98/94/50/366989450.db2.gz WBRBRQQEZOFLIT-CQSZACIVSA-N 2 1 233.359 1.556 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@@H](O)CN(C)CC ZINC000380970784 367326951 /nfs/dbraw/zinc/32/69/51/367326951.db2.gz ALJTXPYELCAPPA-STQMWFEESA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@H](C)C[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000380970784 367326956 /nfs/dbraw/zinc/32/69/56/367326956.db2.gz ALJTXPYELCAPPA-STQMWFEESA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000380970784 367326960 /nfs/dbraw/zinc/32/69/60/367326960.db2.gz ALJTXPYELCAPPA-STQMWFEESA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@H](C)C[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000380970784 367326965 /nfs/dbraw/zinc/32/69/65/367326965.db2.gz ALJTXPYELCAPPA-STQMWFEESA-N 2 1 230.396 1.667 20 0 BDADMP CC[C@H](C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000380970784 367326969 /nfs/dbraw/zinc/32/69/69/367326969.db2.gz ALJTXPYELCAPPA-STQMWFEESA-N 2 1 230.396 1.667 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382004872 367478613 /nfs/dbraw/zinc/47/86/13/367478613.db2.gz ARVHBDMTCHVDJX-KKOKHZNYSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000382004872 367478616 /nfs/dbraw/zinc/47/86/16/367478616.db2.gz ARVHBDMTCHVDJX-KKOKHZNYSA-N 2 1 214.328 1.807 20 0 BDADMP FC1(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000381593169 367434500 /nfs/dbraw/zinc/43/45/00/367434500.db2.gz KIWMWLDLPBHWCH-LLVKDONJSA-N 2 1 212.312 1.564 20 0 BDADMP FC1(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000381593169 367434504 /nfs/dbraw/zinc/43/45/04/367434504.db2.gz KIWMWLDLPBHWCH-LLVKDONJSA-N 2 1 212.312 1.564 20 0 BDADMP CC[N@H+](C)C[C@H](O)CN(C)CCCOC(C)C ZINC000382820088 367560967 /nfs/dbraw/zinc/56/09/67/367560967.db2.gz WXPMEBJQGFQVCR-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CC[N@@H+](C)C[C@H](O)CN(C)CCCOC(C)C ZINC000382820088 367560971 /nfs/dbraw/zinc/56/09/71/367560971.db2.gz WXPMEBJQGFQVCR-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCOC(C)C ZINC000382820088 367560976 /nfs/dbraw/zinc/56/09/76/367560976.db2.gz WXPMEBJQGFQVCR-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCOC(C)C ZINC000382820088 367560979 /nfs/dbraw/zinc/56/09/79/367560979.db2.gz WXPMEBJQGFQVCR-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCOC(C)C ZINC000382820088 367560986 /nfs/dbraw/zinc/56/09/86/367560986.db2.gz WXPMEBJQGFQVCR-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCOC(C)C ZINC000382820088 367560991 /nfs/dbraw/zinc/56/09/91/367560991.db2.gz WXPMEBJQGFQVCR-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnccn2)C1 ZINC000581474388 367506754 /nfs/dbraw/zinc/50/67/54/367506754.db2.gz FNHJIGSKTUTEOG-GXTWGEPZSA-N 2 1 246.358 1.393 20 0 BDADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnccn2)C1 ZINC000581474388 367506755 /nfs/dbraw/zinc/50/67/55/367506755.db2.gz FNHJIGSKTUTEOG-GXTWGEPZSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnccn2)C1 ZINC000581474388 367506757 /nfs/dbraw/zinc/50/67/57/367506757.db2.gz FNHJIGSKTUTEOG-GXTWGEPZSA-N 2 1 246.358 1.393 20 0 BDADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnccn2)C1 ZINC000581474388 367506759 /nfs/dbraw/zinc/50/67/59/367506759.db2.gz FNHJIGSKTUTEOG-GXTWGEPZSA-N 2 1 246.358 1.393 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000383798361 367654368 /nfs/dbraw/zinc/65/43/68/367654368.db2.gz SIHVWUUUMVXDDM-DGCLKSJQSA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000383798361 367654370 /nfs/dbraw/zinc/65/43/70/367654370.db2.gz SIHVWUUUMVXDDM-DGCLKSJQSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000384545351 367698483 /nfs/dbraw/zinc/69/84/83/367698483.db2.gz HJMHFVRBNOCQAI-YIYPIFLZSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)O1 ZINC000385224284 367810880 /nfs/dbraw/zinc/81/08/80/367810880.db2.gz SXHNDPGLPRQNQY-ITGHMWBKSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000385248988 367813490 /nfs/dbraw/zinc/81/34/90/367813490.db2.gz WRVUTMPYGWPXAN-UMSGYPCISA-N 2 1 242.407 1.854 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000385036832 367776656 /nfs/dbraw/zinc/77/66/56/367776656.db2.gz MIWRNYUNUFDCNR-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000385036832 367776660 /nfs/dbraw/zinc/77/66/60/367776660.db2.gz MIWRNYUNUFDCNR-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](C)O1 ZINC000385098819 367790441 /nfs/dbraw/zinc/79/04/41/367790441.db2.gz HHWORCLBQKTIBX-BJJPWKGXSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C)O1 ZINC000385098819 367790445 /nfs/dbraw/zinc/79/04/45/367790445.db2.gz HHWORCLBQKTIBX-BJJPWKGXSA-N 2 1 238.375 1.769 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H](C)O1 ZINC000385124983 367796955 /nfs/dbraw/zinc/79/69/55/367796955.db2.gz KNGDVNSQPPHEJB-SUNKGSAMSA-N 2 1 238.375 1.769 20 0 BDADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000386049324 367905290 /nfs/dbraw/zinc/90/52/90/367905290.db2.gz VCQIMHKEIWPKIW-FRRDWIJNSA-N 2 1 228.380 1.778 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386557120 367992504 /nfs/dbraw/zinc/99/25/04/367992504.db2.gz IGIQFQFIWZSUEE-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386610916 368001033 /nfs/dbraw/zinc/00/10/33/368001033.db2.gz WOUGKWFUTXMSSK-AVGNSLFASA-N 2 1 228.380 1.658 20 0 BDADMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@H]1CCCC[NH2+]1 ZINC000386430090 367970344 /nfs/dbraw/zinc/97/03/44/367970344.db2.gz LFZCXGQSDWFIDM-RWMBFGLXSA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@H+](CC(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000386979676 368040456 /nfs/dbraw/zinc/04/04/56/368040456.db2.gz ZHMAUBQBLJGFMI-UWVGGRQHSA-N 2 1 220.307 1.962 20 0 BDADMP CC[N@@H+](CC(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000386979676 368040462 /nfs/dbraw/zinc/04/04/62/368040462.db2.gz ZHMAUBQBLJGFMI-UWVGGRQHSA-N 2 1 220.307 1.962 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000157511844 201578037 /nfs/dbraw/zinc/57/80/37/201578037.db2.gz ZQBIZMSSVQHFIV-UPJWGTAASA-N 2 1 240.391 1.467 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000566423171 326044244 /nfs/dbraw/zinc/04/42/44/326044244.db2.gz BZAKABKPWMNPFX-WOPDTQHZSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631821747 368974418 /nfs/dbraw/zinc/97/44/18/368974418.db2.gz HYNWUVIMRGDYNC-LOWDOPEQSA-N 2 1 226.364 1.471 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@@H](C)O1 ZINC000623657133 368997312 /nfs/dbraw/zinc/99/73/12/368997312.db2.gz KIPXFXNWIXXATD-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH2+]CCC[N@H+](C)Cc1cccc2c1CCOC2 ZINC000631828135 368997732 /nfs/dbraw/zinc/99/77/32/368997732.db2.gz GFAAROGTOBZPOA-UHFFFAOYSA-N 2 1 248.370 1.801 20 0 BDADMP C[NH2+]CCC[N@@H+](C)Cc1cccc2c1CCOC2 ZINC000631828135 368997738 /nfs/dbraw/zinc/99/77/38/368997738.db2.gz GFAAROGTOBZPOA-UHFFFAOYSA-N 2 1 248.370 1.801 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000623657120 368998165 /nfs/dbraw/zinc/99/81/65/368998165.db2.gz KBUIMCWZGVFGOO-LBPRGKRZSA-N 2 1 226.364 1.344 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657773 368999018 /nfs/dbraw/zinc/99/90/18/368999018.db2.gz YRGAZRNQCVHIRL-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000091008695 369004313 /nfs/dbraw/zinc/00/43/13/369004313.db2.gz ZGHOHYFWQIXYOJ-AWEZNQCLSA-N 2 1 235.375 1.845 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2nccnc2C)CC[C@H]1[NH3+] ZINC000631824914 368986962 /nfs/dbraw/zinc/98/69/62/368986962.db2.gz UEVSIOUPKQFSRU-VXGBXAGGSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2nccnc2C)CC[C@H]1[NH3+] ZINC000631824914 368986966 /nfs/dbraw/zinc/98/69/66/368986966.db2.gz UEVSIOUPKQFSRU-VXGBXAGGSA-N 2 1 234.347 1.344 20 0 BDADMP CC[C@H]1COCC[N@H+]1CCc1cncn1C ZINC000459356413 203267563 /nfs/dbraw/zinc/26/75/63/203267563.db2.gz BWOFNKDQDGQFHB-NSHDSACASA-N 2 1 223.320 1.073 20 0 BDADMP CC[C@H]1COCCN1CCc1cncn1C ZINC000459356413 203267567 /nfs/dbraw/zinc/26/75/67/203267567.db2.gz BWOFNKDQDGQFHB-NSHDSACASA-N 2 1 223.320 1.073 20 0 BDADMP C[NH+](C)CC(C)(C)NCC[C@H]1CCC[N@H+]1C ZINC000459551564 203299683 /nfs/dbraw/zinc/29/96/83/203299683.db2.gz SFUWGQBPACLPQI-GFCCVEGCSA-N 2 1 227.396 1.401 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000459631824 203322990 /nfs/dbraw/zinc/32/29/90/203322990.db2.gz KSEZDVZKHZGETA-MQYQWHSLSA-N 2 1 238.375 1.770 20 0 BDADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000567748232 326255067 /nfs/dbraw/zinc/25/50/67/326255067.db2.gz OLZJTPSJOFXCSV-WDEREUQCSA-N 2 1 242.363 1.387 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459635404 203326258 /nfs/dbraw/zinc/32/62/58/203326258.db2.gz PXDGWTFSXQIKHN-XBXGTLAGSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000631861732 369469876 /nfs/dbraw/zinc/46/98/76/369469876.db2.gz HZGRMGKPHJJMHK-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000631861732 369469885 /nfs/dbraw/zinc/46/98/85/369469885.db2.gz HZGRMGKPHJJMHK-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000631861732 369469888 /nfs/dbraw/zinc/46/98/88/369469888.db2.gz HZGRMGKPHJJMHK-DGCLKSJQSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000631861732 369469890 /nfs/dbraw/zinc/46/98/90/369469890.db2.gz HZGRMGKPHJJMHK-DGCLKSJQSA-N 3 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000459724300 203342472 /nfs/dbraw/zinc/34/24/72/203342472.db2.gz ALLLOZSGJHVWKI-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459779862 203364506 /nfs/dbraw/zinc/36/45/06/203364506.db2.gz LPVDOCLZKRNAAV-MCIONIFRSA-N 2 1 240.391 1.733 20 0 BDADMP COCC(C)(C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777265 203364553 /nfs/dbraw/zinc/36/45/53/203364553.db2.gz KKYSRTDXPPQIDA-ZDUSSCGKSA-N 2 1 242.407 1.981 20 0 BDADMP COCC(C)(C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459777264 203365208 /nfs/dbraw/zinc/36/52/08/203365208.db2.gz KKYSRTDXPPQIDA-CYBMUJFWSA-N 2 1 242.407 1.981 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2CCCOC2)C1 ZINC000459744741 203350581 /nfs/dbraw/zinc/35/05/81/203350581.db2.gz XTLUFZMAESMYOS-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459779868 203366438 /nfs/dbraw/zinc/36/64/38/203366438.db2.gz LPVDOCLZKRNAAV-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000459794886 203369493 /nfs/dbraw/zinc/36/94/93/203369493.db2.gz UVRQVLFAZZZKNE-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP CCO[C@H](C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000631862917 369581726 /nfs/dbraw/zinc/58/17/26/369581726.db2.gz VNEIHCZULFREHU-ZMLRMANQSA-N 2 1 212.337 1.223 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000631862917 369581733 /nfs/dbraw/zinc/58/17/33/369581733.db2.gz VNEIHCZULFREHU-ZMLRMANQSA-N 2 1 212.337 1.223 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCOC1(C)C ZINC000314870802 326310800 /nfs/dbraw/zinc/31/08/00/326310800.db2.gz KJDYMLQVIMLGGM-GFCCVEGCSA-N 2 1 237.347 1.510 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000310429549 370344225 /nfs/dbraw/zinc/34/42/25/370344225.db2.gz SJGSUOZXGQQXHS-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000310429549 370344229 /nfs/dbraw/zinc/34/42/29/370344229.db2.gz SJGSUOZXGQQXHS-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000310429549 370344234 /nfs/dbraw/zinc/34/42/34/370344234.db2.gz SJGSUOZXGQQXHS-QWHCGFSZSA-N 2 1 242.407 1.667 20 0 BDADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC1CC=CC1)C2 ZINC000621784503 370536201 /nfs/dbraw/zinc/53/62/01/370536201.db2.gz PWFDQAXUOMBWNB-QWHCGFSZSA-N 2 1 206.333 1.766 20 0 BDADMP Nc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621784087 370536228 /nfs/dbraw/zinc/53/62/28/370536228.db2.gz JPEOAKBGDDGVAP-TZMCWYRMSA-N 2 1 231.343 1.582 20 0 BDADMP Nc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621784087 370536233 /nfs/dbraw/zinc/53/62/33/370536233.db2.gz JPEOAKBGDDGVAP-TZMCWYRMSA-N 2 1 231.343 1.582 20 0 BDADMP CCn1nccc1CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784989 370537564 /nfs/dbraw/zinc/53/75/64/370537564.db2.gz XMBJFRXFAAQWPT-OCCSQVGLSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1nccc1CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784989 370537568 /nfs/dbraw/zinc/53/75/68/370537568.db2.gz XMBJFRXFAAQWPT-OCCSQVGLSA-N 2 1 248.374 1.259 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000621774665 370521580 /nfs/dbraw/zinc/52/15/80/370521580.db2.gz ZWJULQJOVJFNLR-AAEUAGOBSA-N 2 1 236.363 1.115 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCc1cccnc1)C2 ZINC000621782975 370531960 /nfs/dbraw/zinc/53/19/60/370531960.db2.gz VMCMJXMVDNNZID-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCc1cccnc1)C2 ZINC000621782975 370531967 /nfs/dbraw/zinc/53/19/67/370531967.db2.gz VMCMJXMVDNNZID-KBPBESRZSA-N 2 1 231.343 1.437 20 0 BDADMP CO[C@H](C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C1CCC1 ZINC000621783442 370534169 /nfs/dbraw/zinc/53/41/69/370534169.db2.gz BLEFTWCKCUWDOQ-MCIONIFRSA-N 2 1 238.375 1.615 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCCCF)C2 ZINC000621784036 370535443 /nfs/dbraw/zinc/53/54/43/370535443.db2.gz IQQOOCCWWKJPGW-RYUDHWBXSA-N 2 1 214.328 1.939 20 0 BDADMP COCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121317 371321851 /nfs/dbraw/zinc/32/18/51/371321851.db2.gz SZQOJTOIUDOCBT-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122165 371322842 /nfs/dbraw/zinc/32/28/42/371322842.db2.gz LIXDBDKMRTXLPI-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP CC1CC[NH+](CCC[NH2+]Cc2cn[nH]c2)CC1 ZINC000624212064 371397546 /nfs/dbraw/zinc/39/75/46/371397546.db2.gz PFRFCRBUHMPQDN-UHFFFAOYSA-N 2 1 236.363 1.621 20 0 BDADMP CCC[C@H](CCO)[NH2+]C1CC[NH+](CC)CC1 ZINC000631667312 372493279 /nfs/dbraw/zinc/49/32/79/372493279.db2.gz NJTWIFGOTJNVKB-GFCCVEGCSA-N 2 1 228.380 1.611 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631823865 372602029 /nfs/dbraw/zinc/60/20/29/372602029.db2.gz PMOQNGJMNMKDAO-RWMBFGLXSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631820490 372593781 /nfs/dbraw/zinc/59/37/81/372593781.db2.gz AXGGHBKZSJJKOF-LBPRGKRZSA-N 2 1 246.354 1.540 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000631821698 372596720 /nfs/dbraw/zinc/59/67/20/372596720.db2.gz GFZLPTJRAXNRSS-JQWIXIFHSA-N 2 1 234.347 1.344 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000631821698 372596727 /nfs/dbraw/zinc/59/67/27/372596727.db2.gz GFZLPTJRAXNRSS-JQWIXIFHSA-N 2 1 234.347 1.344 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826349 372606498 /nfs/dbraw/zinc/60/64/98/372606498.db2.gz LJBNANBEKHBWLU-YIYPIFLZSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000631828449 372608829 /nfs/dbraw/zinc/60/88/29/372608829.db2.gz PGVHPCOJPVSGSX-FVCCEPFGSA-N 2 1 226.364 1.328 20 0 BDADMP COCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631859277 372658409 /nfs/dbraw/zinc/65/84/09/372658409.db2.gz LWYYVEOGGMBXHQ-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP COCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631859277 372658411 /nfs/dbraw/zinc/65/84/11/372658411.db2.gz LWYYVEOGGMBXHQ-WDEREUQCSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000631837476 372627976 /nfs/dbraw/zinc/62/79/76/372627976.db2.gz STZWPBKGJOKKAK-MWLCHTKSSA-N 2 1 235.331 1.579 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000631837476 372627978 /nfs/dbraw/zinc/62/79/78/372627978.db2.gz STZWPBKGJOKKAK-MWLCHTKSSA-N 2 1 235.331 1.579 20 0 BDADMP COc1ccncc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838020 372631265 /nfs/dbraw/zinc/63/12/65/372631265.db2.gz YPUUUXODOLAQIK-WDEREUQCSA-N 2 1 235.331 1.117 20 0 BDADMP COc1ccncc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838020 372631270 /nfs/dbraw/zinc/63/12/70/372631270.db2.gz YPUUUXODOLAQIK-WDEREUQCSA-N 2 1 235.331 1.117 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000631838186 372631441 /nfs/dbraw/zinc/63/14/41/372631441.db2.gz KHLFIITZNQJKLN-GXTWGEPZSA-N 2 1 247.386 1.779 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000631825663 372604530 /nfs/dbraw/zinc/60/45/30/372604530.db2.gz PRYDAARSQUYYAD-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)CC[C@H]1[NH3+] ZINC000631824807 372604602 /nfs/dbraw/zinc/60/46/02/372604602.db2.gz QTTPCWQSEHPCJK-QNWHQSFQSA-N 2 1 226.364 1.471 20 0 BDADMP CCO[C@@H](C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)C1CC1 ZINC000631867616 372669422 /nfs/dbraw/zinc/66/94/22/372669422.db2.gz XPRPXWBJJCAJGJ-RDBSUJKOSA-N 2 1 238.375 1.533 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631873218 372674681 /nfs/dbraw/zinc/67/46/81/372674681.db2.gz MVCIGTDVFCQQIO-CQSZACIVSA-N 2 1 240.391 1.864 20 0 BDADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000070348217 374139299 /nfs/dbraw/zinc/13/92/99/374139299.db2.gz MCSWTNOUSODSRP-ZIAGYGMSSA-N 2 1 240.391 1.874 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192609410 205955664 /nfs/dbraw/zinc/95/56/64/205955664.db2.gz DHXJLIYKMRCHHO-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192609410 205955666 /nfs/dbraw/zinc/95/56/66/205955666.db2.gz DHXJLIYKMRCHHO-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC12CC2 ZINC000424328846 206036914 /nfs/dbraw/zinc/03/69/14/206036914.db2.gz RACFKRABAYWVRL-DDHJBXDOSA-N 2 1 208.349 1.857 20 0 BDADMP OC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000310220576 183018592 /nfs/dbraw/zinc/01/85/92/183018592.db2.gz FXTQYKHUVLNWJL-UHFFFAOYSA-N 2 1 238.375 1.508 20 0 BDADMP OCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413930 183051631 /nfs/dbraw/zinc/05/16/31/183051631.db2.gz ITQXSVLRZJEIJO-MCIONIFRSA-N 2 1 238.375 1.175 20 0 BDADMP OCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413930 183051634 /nfs/dbraw/zinc/05/16/34/183051634.db2.gz ITQXSVLRZJEIJO-MCIONIFRSA-N 2 1 238.375 1.175 20 0 BDADMP OCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413930 183051637 /nfs/dbraw/zinc/05/16/37/183051637.db2.gz ITQXSVLRZJEIJO-MCIONIFRSA-N 2 1 238.375 1.175 20 0 BDADMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)CC ZINC000359267308 169071247 /nfs/dbraw/zinc/07/12/47/169071247.db2.gz VEYDCPJQSFRFDR-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000359267308 169071249 /nfs/dbraw/zinc/07/12/49/169071249.db2.gz VEYDCPJQSFRFDR-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000359267308 169071251 /nfs/dbraw/zinc/07/12/51/169071251.db2.gz VEYDCPJQSFRFDR-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000359248230 169073628 /nfs/dbraw/zinc/07/36/28/169073628.db2.gz HAKRKFSDSFKWBV-LBPRGKRZSA-N 2 1 243.395 1.175 20 0 BDADMP O[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC12CC2 ZINC000364602480 183205847 /nfs/dbraw/zinc/20/58/47/183205847.db2.gz RHPNJRKQRJWULZ-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP O[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC12CC2 ZINC000364602480 183205850 /nfs/dbraw/zinc/20/58/50/183205850.db2.gz RHPNJRKQRJWULZ-CYBMUJFWSA-N 2 1 238.375 1.319 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCO)C1 ZINC000304548363 169079190 /nfs/dbraw/zinc/07/91/90/169079190.db2.gz BUUMIHPZQYMYPI-ZDUSSCGKSA-N 2 1 228.380 1.423 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCO)C1 ZINC000304548363 169079192 /nfs/dbraw/zinc/07/91/92/169079192.db2.gz BUUMIHPZQYMYPI-ZDUSSCGKSA-N 2 1 228.380 1.423 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCO)C1 ZINC000304548363 169079195 /nfs/dbraw/zinc/07/91/95/169079195.db2.gz BUUMIHPZQYMYPI-ZDUSSCGKSA-N 2 1 228.380 1.423 20 0 BDADMP CCC[N@H+](CC(=O)OCC)CC1CC[NH2+]CC1 ZINC000094025640 169101578 /nfs/dbraw/zinc/10/15/78/169101578.db2.gz WKYDGHQCPDFOLV-UHFFFAOYSA-N 2 1 242.363 1.261 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]CC[C@H]1CCOC1 ZINC000310020594 169123748 /nfs/dbraw/zinc/12/37/48/169123748.db2.gz NCJCPXLZEHRATG-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]CC[C@H]1CCOC1 ZINC000310020594 169123751 /nfs/dbraw/zinc/12/37/51/169123751.db2.gz NCJCPXLZEHRATG-ZDUSSCGKSA-N 2 1 228.380 1.735 20 0 BDADMP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000309405878 169173511 /nfs/dbraw/zinc/17/35/11/169173511.db2.gz JPQJUABNSPOYGW-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000309405878 169173513 /nfs/dbraw/zinc/17/35/13/169173513.db2.gz JPQJUABNSPOYGW-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000309405878 169173516 /nfs/dbraw/zinc/17/35/16/169173516.db2.gz JPQJUABNSPOYGW-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000309405878 169173518 /nfs/dbraw/zinc/17/35/18/169173518.db2.gz JPQJUABNSPOYGW-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CCC[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC000037754224 169156991 /nfs/dbraw/zinc/15/69/91/169156991.db2.gz BDUVDFAGEPTDRZ-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000111240983 169186206 /nfs/dbraw/zinc/18/62/06/169186206.db2.gz DVYYPGBJYYDDAJ-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000132029775 169188253 /nfs/dbraw/zinc/18/82/53/169188253.db2.gz LGINVAAJUQMZOZ-ZDUSSCGKSA-N 3 1 239.407 1.450 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000353973439 169197412 /nfs/dbraw/zinc/19/74/12/169197412.db2.gz PYBUBPNGHAQMNQ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000353973439 169197413 /nfs/dbraw/zinc/19/74/13/169197413.db2.gz PYBUBPNGHAQMNQ-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2C)C1 ZINC000336764433 169208615 /nfs/dbraw/zinc/20/86/15/169208615.db2.gz PXSSUWJPSMANDS-YNEHKIRRSA-N 2 1 210.365 1.964 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124197167 169209095 /nfs/dbraw/zinc/20/90/95/169209095.db2.gz OYVVHHFJBPSCIO-CQSZACIVSA-N 2 1 235.375 1.847 20 0 BDADMP c1cc2c(c(C[NH2+]C[C@H]3CCC[NH2+]C3)c1)OCO2 ZINC000132219357 183350972 /nfs/dbraw/zinc/35/09/72/183350972.db2.gz XPQPAVFBYHNCKS-NSHDSACASA-N 2 1 248.326 1.505 20 0 BDADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH3+])c2C1 ZINC000236788989 169211170 /nfs/dbraw/zinc/21/11/70/169211170.db2.gz NKPMZXWBXVHBAY-UHFFFAOYSA-N 2 1 233.315 1.309 20 0 BDADMP CCC[N@H+]1Cc2cccc(NC(=O)C[NH3+])c2C1 ZINC000236788989 169211172 /nfs/dbraw/zinc/21/11/72/169211172.db2.gz NKPMZXWBXVHBAY-UHFFFAOYSA-N 2 1 233.315 1.309 20 0 BDADMP CCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000037242055 169255255 /nfs/dbraw/zinc/25/52/55/169255255.db2.gz NWURFZHUCYSGFF-UHFFFAOYSA-N 2 1 200.326 1.097 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223187883 134337633 /nfs/dbraw/zinc/33/76/33/134337633.db2.gz QYHZUSHVHKXLRS-SRVKXCTJSA-N 2 1 214.353 1.484 20 0 BDADMP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223187883 134337634 /nfs/dbraw/zinc/33/76/34/134337634.db2.gz QYHZUSHVHKXLRS-SRVKXCTJSA-N 2 1 214.353 1.484 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000301004577 383829927 /nfs/dbraw/zinc/82/99/27/383829927.db2.gz WLXWNGDPFYOGNM-JTQLQIEISA-N 2 1 220.307 1.963 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COCC2(C)C)CC[N@@H+]1C ZINC000313121830 383910561 /nfs/dbraw/zinc/91/05/61/383910561.db2.gz LFLHNYXWWQUJMW-GRYCIOLGSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COCC2(C)C)CC[N@H+]1C ZINC000313121830 383910563 /nfs/dbraw/zinc/91/05/63/383910563.db2.gz LFLHNYXWWQUJMW-GRYCIOLGSA-N 2 1 226.364 1.484 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000036901599 383916995 /nfs/dbraw/zinc/91/69/95/383916995.db2.gz HRQNDDRIWJZQFV-UHFFFAOYSA-N 2 1 222.336 1.294 20 0 BDADMP CCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908717 383921782 /nfs/dbraw/zinc/92/17/82/383921782.db2.gz BOMXMNITEGNHQL-SDDRHHMPSA-N 2 1 214.353 1.341 20 0 BDADMP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000313105047 383882391 /nfs/dbraw/zinc/88/23/91/383882391.db2.gz IOPWUGBKQNLNMB-KBPBESRZSA-N 2 1 240.391 1.752 20 0 BDADMP COC[C@H](C)C[NH2+]CCC[N@@H+](C)C(C)C ZINC000220565419 383882642 /nfs/dbraw/zinc/88/26/42/383882642.db2.gz BAKNOOMEROTBOI-GFCCVEGCSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000313105049 383883933 /nfs/dbraw/zinc/88/39/33/383883933.db2.gz IOPWUGBKQNLNMB-UONOGXRCSA-N 2 1 240.391 1.752 20 0 BDADMP Cc1[nH+]ccn1CCN1CC(C(F)(F)F)C1 ZINC000560215158 383976609 /nfs/dbraw/zinc/97/66/09/383976609.db2.gz ZGPQBDAZOGDSED-UHFFFAOYSA-N 2 1 233.237 1.686 20 0 BDADMP C[N@H+](CCSc1ccccc1)C[C@@H](O)C[NH3+] ZINC000309396350 384014362 /nfs/dbraw/zinc/01/43/62/384014362.db2.gz VJRMZLPWPXQHKA-NSHDSACASA-N 2 1 240.372 1.030 20 0 BDADMP C[N@@H+](CCSc1ccccc1)C[C@@H](O)C[NH3+] ZINC000309396350 384014368 /nfs/dbraw/zinc/01/43/68/384014368.db2.gz VJRMZLPWPXQHKA-NSHDSACASA-N 2 1 240.372 1.030 20 0 BDADMP CCOC[C@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000313216733 384054065 /nfs/dbraw/zinc/05/40/65/384054065.db2.gz RSTMMMSNHRYIDJ-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000163205738 384164467 /nfs/dbraw/zinc/16/44/67/384164467.db2.gz UWJSIAYIXWCVSO-CHWSQXEVSA-N 2 1 234.343 1.735 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000520894005 384202389 /nfs/dbraw/zinc/20/23/89/384202389.db2.gz AZIZXNUGLDNIAC-FDYHWXHSSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000520894005 384202395 /nfs/dbraw/zinc/20/23/95/384202395.db2.gz AZIZXNUGLDNIAC-FDYHWXHSSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000520894005 384202400 /nfs/dbraw/zinc/20/24/00/384202400.db2.gz AZIZXNUGLDNIAC-FDYHWXHSSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000520894005 384202406 /nfs/dbraw/zinc/20/24/06/384202406.db2.gz AZIZXNUGLDNIAC-FDYHWXHSSA-N 2 1 210.365 1.914 20 0 BDADMP C[C@H]([NH3+])C[N@H+](C)CCCc1ccccc1 ZINC000082594574 384239241 /nfs/dbraw/zinc/23/92/41/384239241.db2.gz GNSXBZMJZIDITP-LBPRGKRZSA-N 2 1 206.333 1.898 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1ccccc1 ZINC000082594574 384239251 /nfs/dbraw/zinc/23/92/51/384239251.db2.gz GNSXBZMJZIDITP-LBPRGKRZSA-N 2 1 206.333 1.898 20 0 BDADMP COC1(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000319239329 384222440 /nfs/dbraw/zinc/22/24/40/384222440.db2.gz WKJJVQOZZTUGCY-RYUDHWBXSA-N 2 1 226.364 1.615 20 0 BDADMP COC1(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000319239327 384222527 /nfs/dbraw/zinc/22/25/27/384222527.db2.gz WKJJVQOZZTUGCY-NEPJUHHUSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2(OC)CCCC2)C1 ZINC000319461189 384251139 /nfs/dbraw/zinc/25/11/39/384251139.db2.gz OZHIJWLRROJZPT-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)C1CC[NH+](C)CC1 ZINC000644166654 384256716 /nfs/dbraw/zinc/25/67/16/384256716.db2.gz LABWNFWGHYKIRN-MRVWCRGKSA-N 2 1 239.407 1.576 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000228476856 384259679 /nfs/dbraw/zinc/25/96/79/384259679.db2.gz IOIASFWPGKIWHX-IACUBPJLSA-N 2 1 231.343 1.641 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000352699661 384311553 /nfs/dbraw/zinc/31/15/53/384311553.db2.gz BRBBEIRHNUCZRF-LBPRGKRZSA-N 2 1 240.391 1.754 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOC)C1 ZINC000173890204 384278832 /nfs/dbraw/zinc/27/88/32/384278832.db2.gz AYRVSWKYAIPKJR-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOC)C1 ZINC000173890204 384278835 /nfs/dbraw/zinc/27/88/35/384278835.db2.gz AYRVSWKYAIPKJR-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOC)C1 ZINC000173890204 384278840 /nfs/dbraw/zinc/27/88/40/384278840.db2.gz AYRVSWKYAIPKJR-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC000173919039 384289683 /nfs/dbraw/zinc/28/96/83/384289683.db2.gz KRZRQKNMJHBIGB-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC000173919039 384289687 /nfs/dbraw/zinc/28/96/87/384289687.db2.gz KRZRQKNMJHBIGB-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000173919039 384289698 /nfs/dbraw/zinc/28/96/98/384289698.db2.gz KRZRQKNMJHBIGB-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000173919039 384289705 /nfs/dbraw/zinc/28/97/05/384289705.db2.gz KRZRQKNMJHBIGB-ZDUSSCGKSA-N 2 1 236.363 1.157 20 0 BDADMP CCc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc(C)n1 ZINC000292779990 384336769 /nfs/dbraw/zinc/33/67/69/384336769.db2.gz LRVOELSSVFVLCV-PHIMTYICSA-N 2 1 248.374 1.876 20 0 BDADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000095072281 384342938 /nfs/dbraw/zinc/34/29/38/384342938.db2.gz ZQDINQSIVZDTEE-VXGBXAGGSA-N 2 1 205.305 1.441 20 0 BDADMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000228858819 384346526 /nfs/dbraw/zinc/34/65/26/384346526.db2.gz UYWHNJYQXAGSIS-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP COCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834861 384357575 /nfs/dbraw/zinc/35/75/75/384357575.db2.gz KSBYXGBGLKGLHD-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP CC[C@H](O)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000566105911 384451247 /nfs/dbraw/zinc/45/12/47/384451247.db2.gz AWRUXZJIHSGQCN-KBPBESRZSA-N 2 1 242.407 1.859 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000647175053 384470782 /nfs/dbraw/zinc/47/07/82/384470782.db2.gz VULXZARSXZTNAU-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224609844 384478091 /nfs/dbraw/zinc/47/80/91/384478091.db2.gz ALGJTEJIFNXTPV-QWRGUYRKSA-N 2 1 214.378 1.410 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000449241319 384498531 /nfs/dbraw/zinc/49/85/31/384498531.db2.gz ARDXRQZMXDPLTG-XJFOESAGSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000449241319 384498535 /nfs/dbraw/zinc/49/85/35/384498535.db2.gz ARDXRQZMXDPLTG-XJFOESAGSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N)nc2)CCN1C ZINC000647517461 384490842 /nfs/dbraw/zinc/49/08/42/384490842.db2.gz ORVXTIISIDJKCF-AAEUAGOBSA-N 2 1 248.374 1.409 20 0 BDADMP COCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150816003 384514026 /nfs/dbraw/zinc/51/40/26/384514026.db2.gz NMMFYUSTYJQVJU-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP OCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304299433 384524695 /nfs/dbraw/zinc/52/46/95/384524695.db2.gz OBNIPUTXABKPBX-ZDUSSCGKSA-N 2 1 226.364 1.177 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccn1 ZINC000049329920 384529654 /nfs/dbraw/zinc/52/96/54/384529654.db2.gz VAFPMVIXKHIIGC-UHFFFAOYSA-N 2 1 216.288 1.376 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccn1 ZINC000049330109 384530571 /nfs/dbraw/zinc/53/05/71/384530571.db2.gz QAQFSGCYJXLHKY-LLVKDONJSA-N 2 1 230.315 1.937 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCF)C1 ZINC000151431432 384574069 /nfs/dbraw/zinc/57/40/69/384574069.db2.gz NKQFPPZYPPPWKR-LLVKDONJSA-N 2 1 202.317 1.620 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCF)C1 ZINC000151431432 384574073 /nfs/dbraw/zinc/57/40/73/384574073.db2.gz NKQFPPZYPPPWKR-LLVKDONJSA-N 2 1 202.317 1.620 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCF)C1 ZINC000151431432 384574077 /nfs/dbraw/zinc/57/40/77/384574077.db2.gz NKQFPPZYPPPWKR-LLVKDONJSA-N 2 1 202.317 1.620 20 0 BDADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403226976 384606434 /nfs/dbraw/zinc/60/64/34/384606434.db2.gz XDXZIGVZCFBHKB-FRRDWIJNSA-N 2 1 226.364 1.330 20 0 BDADMP COC[C@H](C)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000363577287 384620775 /nfs/dbraw/zinc/62/07/75/384620775.db2.gz LEJUNQAWCAAGMS-XDQVBPFNSA-N 2 1 238.375 1.437 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCC(C)(C)C1CC1 ZINC000405953776 384602072 /nfs/dbraw/zinc/60/20/72/384602072.db2.gz INNUWVSEZBPABI-UHFFFAOYSA-N 2 1 228.380 1.720 20 0 BDADMP CO[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647538543 384665995 /nfs/dbraw/zinc/66/59/95/384665995.db2.gz XCHZEAIXLDRNOK-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000647534439 384646600 /nfs/dbraw/zinc/64/66/00/384646600.db2.gz NLYSCCGWGGVITR-AAVRWANBSA-N 3 1 237.391 1.058 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CC[NH2+]1 ZINC000647534439 384646605 /nfs/dbraw/zinc/64/66/05/384646605.db2.gz NLYSCCGWGGVITR-AAVRWANBSA-N 3 1 237.391 1.058 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534565 384646829 /nfs/dbraw/zinc/64/68/29/384646829.db2.gz QPXHWYJQJOATAR-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534565 384646836 /nfs/dbraw/zinc/64/68/36/384646836.db2.gz QPXHWYJQJOATAR-NEPJUHHUSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104138845 384657432 /nfs/dbraw/zinc/65/74/32/384657432.db2.gz QFGCXQSITLOXTJ-ZDUSSCGKSA-N 2 1 241.423 1.647 20 0 BDADMP C[N@@H+](CCCCCO)CC1CC[NH2+]CC1 ZINC000086702704 384678747 /nfs/dbraw/zinc/67/87/47/384678747.db2.gz QGVPQCXSRXHONN-UHFFFAOYSA-N 2 1 214.353 1.080 20 0 BDADMP CCOC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000173525682 384687508 /nfs/dbraw/zinc/68/75/08/384687508.db2.gz QLYVITMIJBGUAO-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173525682 384687533 /nfs/dbraw/zinc/68/75/33/384687533.db2.gz QLYVITMIJBGUAO-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173525682 384687539 /nfs/dbraw/zinc/68/75/39/384687539.db2.gz QLYVITMIJBGUAO-NEPJUHHUSA-N 2 1 242.363 1.354 20 0 BDADMP C[C@H](O)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000300364879 384698345 /nfs/dbraw/zinc/69/83/45/384698345.db2.gz HWPDECDKAHVVJU-ZDEQEGDKSA-N 2 1 228.380 1.466 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000335424662 384707047 /nfs/dbraw/zinc/70/70/47/384707047.db2.gz GLTNCYRMIYWLQK-JQWIXIFHSA-N 2 1 212.337 1.238 20 0 BDADMP COCCOCC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315960429 384719743 /nfs/dbraw/zinc/71/97/43/384719743.db2.gz WYFARVXCNSQANF-XQQFMLRXSA-N 2 1 244.379 1.097 20 0 BDADMP COCCOCC[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000315960429 384719748 /nfs/dbraw/zinc/71/97/48/384719748.db2.gz WYFARVXCNSQANF-XQQFMLRXSA-N 2 1 244.379 1.097 20 0 BDADMP C[N@H+]1CC[C@@H](NCCC[NH3+])C[C@H]1c1ccccc1 ZINC000423187678 384720209 /nfs/dbraw/zinc/72/02/09/384720209.db2.gz LFBJXKYSXWWKCT-CABCVRRESA-N 2 1 247.386 1.760 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546162 384730619 /nfs/dbraw/zinc/73/06/19/384730619.db2.gz BVJQFDNQDXTROZ-REWJHTLYSA-N 3 1 239.407 1.338 20 0 BDADMP CCC(N)(CC)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546236 384731666 /nfs/dbraw/zinc/73/16/66/384731666.db2.gz GLDRAKBMGBRFKC-JHJVBQTASA-N 2 1 239.407 1.482 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300393894 384746377 /nfs/dbraw/zinc/74/63/77/384746377.db2.gz FHFOIWJLHVUVFY-UPJWGTAASA-N 2 1 228.380 1.610 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CSC2(C)C)CC1 ZINC000306182167 384757484 /nfs/dbraw/zinc/75/74/84/384757484.db2.gz WNTQBQSEEQEKCX-JTQLQIEISA-N 2 1 214.378 1.564 20 0 BDADMP COc1c(O)cccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000647552077 384758656 /nfs/dbraw/zinc/75/86/56/384758656.db2.gz FGMOHTAKENMSRP-NXEZZACHSA-N 2 1 238.331 1.616 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CCC[NH3+])CCOCC2 ZINC000647553102 384764053 /nfs/dbraw/zinc/76/40/53/384764053.db2.gz AZFFCUFVKWZNRK-LLVKDONJSA-N 2 1 212.337 1.226 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000375854883 384827299 /nfs/dbraw/zinc/82/72/99/384827299.db2.gz WXGABCFMGVFOOP-LLVKDONJSA-N 2 1 222.336 1.328 20 0 BDADMP CC(C)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310089024 384829118 /nfs/dbraw/zinc/82/91/18/384829118.db2.gz IIAPPNQYVFFQHF-OCCSQVGLSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000310089024 384829122 /nfs/dbraw/zinc/82/91/22/384829122.db2.gz IIAPPNQYVFFQHF-OCCSQVGLSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000310089024 384829127 /nfs/dbraw/zinc/82/91/27/384829127.db2.gz IIAPPNQYVFFQHF-OCCSQVGLSA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310089024 384829132 /nfs/dbraw/zinc/82/91/32/384829132.db2.gz IIAPPNQYVFFQHF-OCCSQVGLSA-N 2 1 240.391 1.419 20 0 BDADMP CC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000310011120 384783386 /nfs/dbraw/zinc/78/33/86/384783386.db2.gz IPBZYIDMVZDTHL-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000310011120 384783389 /nfs/dbraw/zinc/78/33/89/384783389.db2.gz IPBZYIDMVZDTHL-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000397331975 384797058 /nfs/dbraw/zinc/79/70/58/384797058.db2.gz RHHZQBMFDJUKJK-YVECIDJPSA-N 2 1 226.364 1.328 20 0 BDADMP CCCCOCC[N@H+](C)[C@@H](CN)C1CC1 ZINC000126724427 384797257 /nfs/dbraw/zinc/79/72/57/384797257.db2.gz IJMMRLZEEUNHAN-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP CCCCOCC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000126724427 384797265 /nfs/dbraw/zinc/79/72/65/384797265.db2.gz IJMMRLZEEUNHAN-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP CCCCOCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126724427 384797269 /nfs/dbraw/zinc/79/72/69/384797269.db2.gz IJMMRLZEEUNHAN-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP CCCCOCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126724427 384797273 /nfs/dbraw/zinc/79/72/73/384797273.db2.gz IJMMRLZEEUNHAN-LBPRGKRZSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@]1(C)C[NH3+] ZINC000335263627 384885504 /nfs/dbraw/zinc/88/55/04/384885504.db2.gz YHCAFOTYBSVMRP-DGCLKSJQSA-N 2 1 219.332 1.498 20 0 BDADMP C(C1CCOCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269697 384885644 /nfs/dbraw/zinc/88/56/44/384885644.db2.gz NWJJLOXFEDHLRV-OKILXGFUSA-N 2 1 238.375 1.344 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000363787243 384887744 /nfs/dbraw/zinc/88/77/44/384887744.db2.gz XBUYOUZKBRPHDT-IACUBPJLSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000363787243 384887750 /nfs/dbraw/zinc/88/77/50/384887750.db2.gz XBUYOUZKBRPHDT-IACUBPJLSA-N 2 1 238.375 1.628 20 0 BDADMP c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000054788123 384854044 /nfs/dbraw/zinc/85/40/44/384854044.db2.gz NATVKXBJELBRCB-SNVBAGLBSA-N 2 1 237.372 1.717 20 0 BDADMP c1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000054788123 384854050 /nfs/dbraw/zinc/85/40/50/384854050.db2.gz NATVKXBJELBRCB-SNVBAGLBSA-N 2 1 237.372 1.717 20 0 BDADMP Cn1cncc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000177049065 384855341 /nfs/dbraw/zinc/85/53/41/384855341.db2.gz VVKGVTFMIMRGDS-UHFFFAOYSA-N 2 1 236.363 1.194 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000423403005 384856926 /nfs/dbraw/zinc/85/69/26/384856926.db2.gz WYCCYSCYENSWAM-UTUOFQBUSA-N 2 1 236.363 1.731 20 0 BDADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000310163848 384866003 /nfs/dbraw/zinc/86/60/03/384866003.db2.gz RVCZVLKYHOZKOD-CQSZACIVSA-N 2 1 238.375 1.364 20 0 BDADMP C(COCC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310299368 384950808 /nfs/dbraw/zinc/95/08/08/384950808.db2.gz UBJBLRBUBRGKTI-UHFFFAOYSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340203817 384953783 /nfs/dbraw/zinc/95/37/83/384953783.db2.gz XQMVGLFANCUMMN-BPLDGKMQSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340203817 384953790 /nfs/dbraw/zinc/95/37/90/384953790.db2.gz XQMVGLFANCUMMN-BPLDGKMQSA-N 2 1 248.370 1.792 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000259005213 384956217 /nfs/dbraw/zinc/95/62/17/384956217.db2.gz NJFJIADWZYUQDD-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000259005213 384956225 /nfs/dbraw/zinc/95/62/25/384956225.db2.gz NJFJIADWZYUQDD-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000259005213 384956233 /nfs/dbraw/zinc/95/62/33/384956233.db2.gz NJFJIADWZYUQDD-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000086875306 384893943 /nfs/dbraw/zinc/89/39/43/384893943.db2.gz OJZRXKPZQRWLMU-NEPJUHHUSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647202286 384902833 /nfs/dbraw/zinc/90/28/33/384902833.db2.gz SVBOGYXOEATOKD-LLVKDONJSA-N 2 1 248.317 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647202286 384902841 /nfs/dbraw/zinc/90/28/41/384902841.db2.gz SVBOGYXOEATOKD-LLVKDONJSA-N 2 1 248.317 1.221 20 0 BDADMP CC[C@@H](O)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000644521914 384926847 /nfs/dbraw/zinc/92/68/47/384926847.db2.gz AWRUXZJIHSGQCN-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(O)CC2)C1 ZINC000258688668 384932007 /nfs/dbraw/zinc/93/20/07/384932007.db2.gz DPCNBXKCAHJCJD-HSBZDZAISA-N 2 1 240.391 1.611 20 0 BDADMP CC[N@@H+](CCN[C@@H]1C[NH+](C)C[C@@H]1C)C(C)C ZINC000336759475 384944796 /nfs/dbraw/zinc/94/47/96/384944796.db2.gz JBEGMFRCCPDCFF-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000336759475 384944799 /nfs/dbraw/zinc/94/47/99/384944799.db2.gz JBEGMFRCCPDCFF-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](CCN[C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000336759475 384944802 /nfs/dbraw/zinc/94/48/02/384944802.db2.gz JBEGMFRCCPDCFF-QWHCGFSZSA-N 2 1 227.396 1.256 20 0 BDADMP Cc1c(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cnn1C ZINC000226304273 384967009 /nfs/dbraw/zinc/96/70/09/384967009.db2.gz IHDXSVACPUBTHX-GXFFZTMASA-N 2 1 236.363 1.349 20 0 BDADMP Cc1c(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cnn1C ZINC000226304282 384967861 /nfs/dbraw/zinc/96/78/61/384967861.db2.gz IHDXSVACPUBTHX-ZWNOBZJWSA-N 2 1 236.363 1.349 20 0 BDADMP Cc1cccc(NC(=O)C[C@H](C)N[C@H](C)C[NH3+])c1 ZINC000569350131 384974565 /nfs/dbraw/zinc/97/45/65/384974565.db2.gz VCPXSWYJLDQQIN-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH3+])c1 ZINC000569350131 384974573 /nfs/dbraw/zinc/97/45/73/384974573.db2.gz VCPXSWYJLDQQIN-NWDGAFQWSA-N 2 1 249.358 1.649 20 0 BDADMP C[C@@H](C[NH2+]Cc1ccns1)C[NH+]1CCCC1 ZINC000404415558 384981420 /nfs/dbraw/zinc/98/14/20/384981420.db2.gz DADSIXIIVMPOGT-NSHDSACASA-N 2 1 239.388 1.965 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000300861506 385006362 /nfs/dbraw/zinc/00/63/62/385006362.db2.gz NUAOWTAJVJXAFZ-YPMHNXCESA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000300907527 385049097 /nfs/dbraw/zinc/04/90/97/385049097.db2.gz LMVIJQWTRQMBKK-NWDGAFQWSA-N 2 1 214.353 1.328 20 0 BDADMP CC(C)C[C@H](C)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000300907527 385049100 /nfs/dbraw/zinc/04/91/00/385049100.db2.gz LMVIJQWTRQMBKK-NWDGAFQWSA-N 2 1 214.353 1.328 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644642874 385049670 /nfs/dbraw/zinc/04/96/70/385049670.db2.gz ZWYBUCYQDASAAK-BPLDGKMQSA-N 2 1 248.370 1.477 20 0 BDADMP C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644642874 385049677 /nfs/dbraw/zinc/04/96/77/385049677.db2.gz ZWYBUCYQDASAAK-BPLDGKMQSA-N 2 1 248.370 1.477 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)C1 ZINC000300930202 385055259 /nfs/dbraw/zinc/05/52/59/385055259.db2.gz QXAYOJNPSRTURZ-YNEHKIRRSA-N 2 1 228.380 1.859 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)C1 ZINC000300930202 385055269 /nfs/dbraw/zinc/05/52/69/385055269.db2.gz QXAYOJNPSRTURZ-YNEHKIRRSA-N 2 1 228.380 1.859 20 0 BDADMP CC1(C)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C[C@@H]1[NH3+] ZINC000404781008 385064527 /nfs/dbraw/zinc/06/45/27/385064527.db2.gz NGRUAUHIFFYYOO-NWDGAFQWSA-N 2 1 247.342 1.001 20 0 BDADMP OCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157092298 385067273 /nfs/dbraw/zinc/06/72/73/385067273.db2.gz XRBGYKTXGKZIGZ-ZDUSSCGKSA-N 2 1 226.364 1.319 20 0 BDADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000340493571 385075767 /nfs/dbraw/zinc/07/57/67/385075767.db2.gz VQTKECOHDFYNRL-RAIGVLPGSA-N 2 1 226.364 1.341 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310536679 385109691 /nfs/dbraw/zinc/10/96/91/385109691.db2.gz RLFHAYQBMCWSJB-IHRRRGAJSA-N 2 1 240.391 1.718 20 0 BDADMP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000304698538 385141828 /nfs/dbraw/zinc/14/18/28/385141828.db2.gz IYGOUYCMJSWVCA-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)s1 ZINC000404844688 385105441 /nfs/dbraw/zinc/10/54/41/385105441.db2.gz CYMSZFUPDHJZTE-UWVGGRQHSA-N 2 1 225.361 1.667 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000305141378 385201679 /nfs/dbraw/zinc/20/16/79/385201679.db2.gz QFOXEDJOIHQZHU-HTVCTNPSSA-N 2 1 242.407 1.712 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000305114501 385188469 /nfs/dbraw/zinc/18/84/69/385188469.db2.gz FEAPBEXXXUZJRN-MCIONIFRSA-N 2 1 242.407 1.715 20 0 BDADMP CCc1cc(N(C)[C@@H](C)C[NH3+])nc(C)[nH+]1 ZINC000107207222 385189251 /nfs/dbraw/zinc/18/92/51/385189251.db2.gz BBKUGRFLZXDNDA-QMMMGPOBSA-N 2 1 208.309 1.131 20 0 BDADMP C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000227715303 385211054 /nfs/dbraw/zinc/21/10/54/385211054.db2.gz SXXOCSXTBWRQJQ-AGIUHOORSA-N 2 1 224.348 1.382 20 0 BDADMP C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000227715303 385211059 /nfs/dbraw/zinc/21/10/59/385211059.db2.gz SXXOCSXTBWRQJQ-AGIUHOORSA-N 2 1 224.348 1.382 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCOC1 ZINC000252712531 385212905 /nfs/dbraw/zinc/21/29/05/385212905.db2.gz MRENFTPBBKJRQZ-ZDEQEGDKSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCOC1 ZINC000252712531 385212908 /nfs/dbraw/zinc/21/29/08/385212908.db2.gz MRENFTPBBKJRQZ-ZDEQEGDKSA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000252715788 385225086 /nfs/dbraw/zinc/22/50/86/385225086.db2.gz WSXZCYPCPYIJKV-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715788 385225089 /nfs/dbraw/zinc/22/50/89/385225089.db2.gz WSXZCYPCPYIJKV-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715788 385225094 /nfs/dbraw/zinc/22/50/94/385225094.db2.gz WSXZCYPCPYIJKV-CHWSQXEVSA-N 2 1 227.396 1.256 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000308895348 385246563 /nfs/dbraw/zinc/24/65/63/385246563.db2.gz ZDVMPJJSKLUHLC-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP CC(C)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000308895348 385246570 /nfs/dbraw/zinc/24/65/70/385246570.db2.gz ZDVMPJJSKLUHLC-RYUDHWBXSA-N 2 1 214.353 1.077 20 0 BDADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)nc1 ZINC000647490941 385286354 /nfs/dbraw/zinc/28/63/54/385286354.db2.gz ZMGMKQMEMXFHJZ-NSHDSACASA-N 2 1 235.331 1.261 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)nc1 ZINC000647490941 385286358 /nfs/dbraw/zinc/28/63/58/385286358.db2.gz ZMGMKQMEMXFHJZ-NSHDSACASA-N 2 1 235.331 1.261 20 0 BDADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000308928401 385290590 /nfs/dbraw/zinc/29/05/90/385290590.db2.gz QQQVWVAZKKFFOE-GRYCIOLGSA-N 2 1 214.353 1.484 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000011888562 385298287 /nfs/dbraw/zinc/29/82/87/385298287.db2.gz CIPSMLMJDCGPGJ-ZDUSSCGKSA-N 2 1 234.343 1.736 20 0 BDADMP C([NH2+]C1CCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485285 385301382 /nfs/dbraw/zinc/30/13/82/385301382.db2.gz TVACEIRGJVSWDK-LLVKDONJSA-N 2 1 224.348 1.239 20 0 BDADMP CCOCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000131533037 385341615 /nfs/dbraw/zinc/34/16/15/385341615.db2.gz WIKYGJONFZTGHZ-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000299931321 385326199 /nfs/dbraw/zinc/32/61/99/385326199.db2.gz CDBBWFNSSBSNCQ-TZMCWYRMSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)CC[N@@H+]1C ZINC000309108396 385425556 /nfs/dbraw/zinc/42/55/56/385425556.db2.gz IUCPZGNHNJBQLG-NOOOWODRSA-N 2 1 214.328 1.949 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)CC[N@H+]1C ZINC000309108396 385425559 /nfs/dbraw/zinc/42/55/59/385425559.db2.gz IUCPZGNHNJBQLG-NOOOWODRSA-N 2 1 214.328 1.949 20 0 BDADMP C=Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000193880087 385416468 /nfs/dbraw/zinc/41/64/68/385416468.db2.gz AFPJMEYNLFLMIT-UHFFFAOYSA-N 2 1 248.374 1.757 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC000182215708 385434341 /nfs/dbraw/zinc/43/43/41/385434341.db2.gz SHSOXAKXSQBCLE-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC000182215708 385434344 /nfs/dbraw/zinc/43/43/44/385434344.db2.gz SHSOXAKXSQBCLE-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC000182215708 385434347 /nfs/dbraw/zinc/43/43/47/385434347.db2.gz SHSOXAKXSQBCLE-VXGBXAGGSA-N 2 1 214.353 1.295 20 0 BDADMP C[C@@H](C[NH2+]Cc1cccnc1)C[NH+](C)C ZINC000291676117 385465544 /nfs/dbraw/zinc/46/55/44/385465544.db2.gz HCDTYQZWXGKLBL-NSHDSACASA-N 2 1 207.321 1.369 20 0 BDADMP C([C@H]1CCSC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390751580 385469332 /nfs/dbraw/zinc/46/93/32/385469332.db2.gz DESQKYRYEYVDLJ-UPJWGTAASA-N 2 1 240.416 1.671 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000161711979 385480868 /nfs/dbraw/zinc/48/08/68/385480868.db2.gz VULVPFOTTLWLPB-JQWIXIFHSA-N 2 1 205.305 1.251 20 0 BDADMP c1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868255 385536687 /nfs/dbraw/zinc/53/66/87/385536687.db2.gz UIGFHCMSLSHBDP-ZIAGYGMSSA-N 2 1 231.343 1.798 20 0 BDADMP c1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868255 385536690 /nfs/dbraw/zinc/53/66/90/385536690.db2.gz UIGFHCMSLSHBDP-ZIAGYGMSSA-N 2 1 231.343 1.798 20 0 BDADMP CC(C)(C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000082432945 385541967 /nfs/dbraw/zinc/54/19/67/385541967.db2.gz STIRWBLUBRJMMU-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)(C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000082432945 385541970 /nfs/dbraw/zinc/54/19/70/385541970.db2.gz STIRWBLUBRJMMU-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000309372490 385554556 /nfs/dbraw/zinc/55/45/56/385554556.db2.gz FMQOMGKGWHNQLJ-NTZNESFSSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000309372490 385554559 /nfs/dbraw/zinc/55/45/59/385554559.db2.gz FMQOMGKGWHNQLJ-NTZNESFSSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000309372490 385554563 /nfs/dbraw/zinc/55/45/63/385554563.db2.gz FMQOMGKGWHNQLJ-NTZNESFSSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000309372490 385554567 /nfs/dbraw/zinc/55/45/67/385554567.db2.gz FMQOMGKGWHNQLJ-NTZNESFSSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@]1(C)CCCO1 ZINC000309427429 385579071 /nfs/dbraw/zinc/57/90/71/385579071.db2.gz AXIVSYCWNMLWNJ-AAEUAGOBSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@]1(C)CCCO1 ZINC000309427430 385579177 /nfs/dbraw/zinc/57/91/77/385579177.db2.gz AXIVSYCWNMLWNJ-DGCLKSJQSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108283657 385629195 /nfs/dbraw/zinc/62/91/95/385629195.db2.gz KCAAYDNUTAIHEV-QWHCGFSZSA-N 2 1 248.374 1.743 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000108283657 385629202 /nfs/dbraw/zinc/62/92/02/385629202.db2.gz KCAAYDNUTAIHEV-QWHCGFSZSA-N 2 1 248.374 1.743 20 0 BDADMP CC[C@@H](C)C[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336677496 385609874 /nfs/dbraw/zinc/60/98/74/385609874.db2.gz CPGJTQOGEQTYTA-OCCSQVGLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336677496 385609878 /nfs/dbraw/zinc/60/98/78/385609878.db2.gz CPGJTQOGEQTYTA-OCCSQVGLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H](C)C[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336677496 385609884 /nfs/dbraw/zinc/60/98/84/385609884.db2.gz CPGJTQOGEQTYTA-OCCSQVGLSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@H](C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336677496 385609889 /nfs/dbraw/zinc/60/98/89/385609889.db2.gz CPGJTQOGEQTYTA-OCCSQVGLSA-N 2 1 242.407 1.810 20 0 BDADMP CN(C[C@H](O)C[N@@H+](C)C1CCCC1)C1CC1 ZINC000336650015 385612308 /nfs/dbraw/zinc/61/23/08/385612308.db2.gz HGVPLHFBKFYMQG-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000336650015 385612310 /nfs/dbraw/zinc/61/23/10/385612310.db2.gz HGVPLHFBKFYMQG-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000336650015 385612315 /nfs/dbraw/zinc/61/23/15/385612315.db2.gz HGVPLHFBKFYMQG-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C1CCCC1)C1CC1 ZINC000336650015 385612316 /nfs/dbraw/zinc/61/23/16/385612316.db2.gz HGVPLHFBKFYMQG-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CCCC1)C1CC1 ZINC000336650015 385612320 /nfs/dbraw/zinc/61/23/20/385612320.db2.gz HGVPLHFBKFYMQG-CYBMUJFWSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000336724091 385613119 /nfs/dbraw/zinc/61/31/19/385613119.db2.gz BAIVNXGAASJQIW-LOWDOPEQSA-N 2 1 226.364 1.220 20 0 BDADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000054768059 385640662 /nfs/dbraw/zinc/64/06/62/385640662.db2.gz XKNQSHIMZHYOBS-GFCCVEGCSA-N 2 1 234.347 1.297 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000054768059 385640671 /nfs/dbraw/zinc/64/06/71/385640671.db2.gz XKNQSHIMZHYOBS-GFCCVEGCSA-N 2 1 234.347 1.297 20 0 BDADMP CC[NH2+]CC[NH2+][C@H](C)CCC(F)(F)F ZINC000414850410 385641445 /nfs/dbraw/zinc/64/14/45/385641445.db2.gz SCPQFVPGAYYEIT-MRVPVSSYSA-N 2 1 212.259 1.917 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC000221701839 385689726 /nfs/dbraw/zinc/68/97/26/385689726.db2.gz WOICKGYDXCLTFQ-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP C[N@@H+](C[C@H]1CCSC1)C1CC([NH3+])C1 ZINC000307223214 385668769 /nfs/dbraw/zinc/66/87/69/385668769.db2.gz RMIZAIDTXJWESO-XNWIYYODSA-N 2 1 200.351 1.161 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1ccccc1N(C)C ZINC000414858490 385735924 /nfs/dbraw/zinc/73/59/24/385735924.db2.gz JQXGVVVQANFNHB-UHFFFAOYSA-N 2 1 221.348 1.452 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000309615185 385744845 /nfs/dbraw/zinc/74/48/45/385744845.db2.gz COVPQOMSAMBRLE-ZDUSSCGKSA-N 2 1 224.348 1.407 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000414863294 385763849 /nfs/dbraw/zinc/76/38/49/385763849.db2.gz IHXPMVDZXVRDCR-OCCSQVGLSA-N 2 1 240.391 1.781 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000309646989 385765683 /nfs/dbraw/zinc/76/56/83/385765683.db2.gz MOOQKPDLYHIZAN-WOPDTQHZSA-N 2 1 228.380 1.323 20 0 BDADMP C[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309648205 385767058 /nfs/dbraw/zinc/76/70/58/385767058.db2.gz MZPKXGUHUDYNGI-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309648205 385767062 /nfs/dbraw/zinc/76/70/62/385767062.db2.gz MZPKXGUHUDYNGI-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309648205 385767067 /nfs/dbraw/zinc/76/70/67/385767067.db2.gz MZPKXGUHUDYNGI-UPJWGTAASA-N 2 1 225.380 1.010 20 0 BDADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nccn1C ZINC000271876889 385856358 /nfs/dbraw/zinc/85/63/58/385856358.db2.gz OJJIYHCFWQWEPY-ZDUSSCGKSA-N 2 1 248.374 1.723 20 0 BDADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336737792 385822004 /nfs/dbraw/zinc/82/20/04/385822004.db2.gz JRNWDGQNTHPWOD-UPJWGTAASA-N 2 1 227.396 1.114 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336737792 385822008 /nfs/dbraw/zinc/82/20/08/385822008.db2.gz JRNWDGQNTHPWOD-UPJWGTAASA-N 3 1 227.396 1.114 20 0 BDADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336737792 385822009 /nfs/dbraw/zinc/82/20/09/385822009.db2.gz JRNWDGQNTHPWOD-UPJWGTAASA-N 3 1 227.396 1.114 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336737791 385823094 /nfs/dbraw/zinc/82/30/94/385823094.db2.gz JRNWDGQNTHPWOD-JHJVBQTASA-N 2 1 227.396 1.114 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336737791 385823097 /nfs/dbraw/zinc/82/30/97/385823097.db2.gz JRNWDGQNTHPWOD-JHJVBQTASA-N 3 1 227.396 1.114 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C[NH+](C)C ZINC000336737791 385823100 /nfs/dbraw/zinc/82/31/00/385823100.db2.gz JRNWDGQNTHPWOD-JHJVBQTASA-N 3 1 227.396 1.114 20 0 BDADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH3+])c1ccccc1 ZINC000262545579 385858532 /nfs/dbraw/zinc/85/85/32/385858532.db2.gz VBVBOJGAEATARM-WCQYABFASA-N 2 1 249.358 1.143 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CC[N@H+]1C ZINC000222242873 385845602 /nfs/dbraw/zinc/84/56/02/385845602.db2.gz MBPKNPFCLNISKO-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1OCC[C@@H]1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000414956487 385846736 /nfs/dbraw/zinc/84/67/36/385846736.db2.gz ORNPAOGTBVJOLO-TUKIKUTGSA-N 2 1 246.354 1.640 20 0 BDADMP CCOC(=O)CC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603430759 385853577 /nfs/dbraw/zinc/85/35/77/385853577.db2.gz CMEPOKSSAUDWII-SRVKXCTJSA-N 2 1 242.363 1.387 20 0 BDADMP CCOC(=O)CC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603430759 385853579 /nfs/dbraw/zinc/85/35/79/385853579.db2.gz CMEPOKSSAUDWII-SRVKXCTJSA-N 2 1 242.363 1.387 20 0 BDADMP C[C@H]1C[NH+](CCCC2CC[NH2+]CC2)C[C@H](C)N1 ZINC000647841620 385889851 /nfs/dbraw/zinc/88/98/51/385889851.db2.gz FUFAEKQVCYSTLM-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647857087 385907227 /nfs/dbraw/zinc/90/72/27/385907227.db2.gz XUVILIJZLLAYAY-CQSZACIVSA-N 3 1 239.407 1.450 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647857087 385907232 /nfs/dbraw/zinc/90/72/32/385907232.db2.gz XUVILIJZLLAYAY-CQSZACIVSA-N 3 1 239.407 1.450 20 0 BDADMP CC[C@H]1C[N@@H+](CCC[NH2+]C)CCS1 ZINC000123786840 385909972 /nfs/dbraw/zinc/90/99/72/385909972.db2.gz DNWCHMSCCLVEFF-JTQLQIEISA-N 2 1 202.367 1.423 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000647858101 385914129 /nfs/dbraw/zinc/91/41/29/385914129.db2.gz YOTXUALBLARBCG-UHFFFAOYSA-N 2 1 241.423 1.683 20 0 BDADMP C[N@H+](CCCC1CC[NH2+]CC1)CC(C)(C)CN ZINC000647858101 385914131 /nfs/dbraw/zinc/91/41/31/385914131.db2.gz YOTXUALBLARBCG-UHFFFAOYSA-N 2 1 241.423 1.683 20 0 BDADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC(C)(C)CN ZINC000647858101 385914134 /nfs/dbraw/zinc/91/41/34/385914134.db2.gz YOTXUALBLARBCG-UHFFFAOYSA-N 2 1 241.423 1.683 20 0 BDADMP C[C@]1(CN2CC[N@H+]3CCCC[C@H]3C2)CC[NH2+]C1 ZINC000250815482 385926918 /nfs/dbraw/zinc/92/69/18/385926918.db2.gz WVLSQKIHKONWAE-KBPBESRZSA-N 2 1 237.391 1.156 20 0 BDADMP C([C@H]1CCOC1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815129 385869182 /nfs/dbraw/zinc/86/91/82/385869182.db2.gz QEXXVNPBQSTEPW-LLVKDONJSA-N 2 1 224.348 1.239 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCO3)CC[NH2+]1 ZINC000414960683 385879476 /nfs/dbraw/zinc/87/94/76/385879476.db2.gz YHPKBOUPCUYHMF-ZYHUDNBSSA-N 2 1 248.326 1.645 20 0 BDADMP C[NH2+]C1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647839242 385880818 /nfs/dbraw/zinc/88/08/18/385880818.db2.gz BKLIFEZJRLRUOD-UHFFFAOYSA-N 2 1 239.407 1.450 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336727508 385975995 /nfs/dbraw/zinc/97/59/95/385975995.db2.gz HHNDLENMTCYQBI-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP CCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336727508 385976001 /nfs/dbraw/zinc/97/60/01/385976001.db2.gz HHNDLENMTCYQBI-RYUDHWBXSA-N 2 1 214.353 1.221 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CC[N@H+]1C ZINC000335021092 385980919 /nfs/dbraw/zinc/98/09/19/385980919.db2.gz BCCGSEAGSIWXJC-STQMWFEESA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)CCN1C ZINC000335021092 385980926 /nfs/dbraw/zinc/98/09/26/385980926.db2.gz BCCGSEAGSIWXJC-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)C1C[NH2+]C1 ZINC000335040286 385934603 /nfs/dbraw/zinc/93/46/03/385934603.db2.gz FCSQDMBUSRHFFH-RISCZKNCSA-N 2 1 246.354 1.934 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC1(C)C)c1c[nH+]ccc1N ZINC000335043111 385935723 /nfs/dbraw/zinc/93/57/23/385935723.db2.gz NKVADYWSYYNWEA-LDYMZIIASA-N 2 1 205.305 1.943 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc2ccccc2n1C ZINC000414879887 385953248 /nfs/dbraw/zinc/95/32/48/385953248.db2.gz JCZYMKSABXHBMA-JTQLQIEISA-N 2 1 232.331 1.400 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000643250833 385955731 /nfs/dbraw/zinc/95/57/31/385955731.db2.gz NUNRXBYWRCVPKZ-BETUJISGSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@H]1C[N@H+](CC(C)(C)[NH3+])CCS1 ZINC000220375781 385966082 /nfs/dbraw/zinc/96/60/82/385966082.db2.gz AHJOSACHULGTBM-VIFPVBQESA-N 2 1 202.367 1.551 20 0 BDADMP CC[C@H]1C[N@@H+](CC(C)(C)[NH3+])CCS1 ZINC000220375781 385966085 /nfs/dbraw/zinc/96/60/85/385966085.db2.gz AHJOSACHULGTBM-VIFPVBQESA-N 2 1 202.367 1.551 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+]1C ZINC000309101264 385968464 /nfs/dbraw/zinc/96/84/64/385968464.db2.gz FUMMIQCOSYOBTR-FHUSYTEZSA-N 2 1 208.349 1.857 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@H+]1C ZINC000309101264 385968468 /nfs/dbraw/zinc/96/84/68/385968468.db2.gz FUMMIQCOSYOBTR-FHUSYTEZSA-N 2 1 208.349 1.857 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000309395010 386007609 /nfs/dbraw/zinc/00/76/09/386007609.db2.gz IGNBALMEGSSZAN-LLVKDONJSA-N 2 1 222.336 1.013 20 0 BDADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@@H]1C ZINC000414974770 386012768 /nfs/dbraw/zinc/01/27/68/386012768.db2.gz KMTYJDSULRKOSR-MQYQWHSLSA-N 2 1 239.407 1.304 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1CCCC(F)(F)C1 ZINC000336753424 386023800 /nfs/dbraw/zinc/02/38/00/386023800.db2.gz WHUOGMQLKARIIQ-VHSXEESVSA-N 2 1 236.306 1.063 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414977156 386028322 /nfs/dbraw/zinc/02/83/22/386028322.db2.gz PDIYLEPUGPAWPF-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414978822 386033027 /nfs/dbraw/zinc/03/30/27/386033027.db2.gz SOJCKGXRBWSJFY-UKRRQHHQSA-N 2 1 247.386 1.283 20 0 BDADMP C[C@H](C[NH2+]Cc1cncs1)C[NH+](C)C ZINC000291759745 386038873 /nfs/dbraw/zinc/03/88/73/386038873.db2.gz RHDKNAGGOHURDS-SECBINFHSA-N 2 1 213.350 1.430 20 0 BDADMP CCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979238 386043509 /nfs/dbraw/zinc/04/35/09/386043509.db2.gz UHNIFTCFABTFFM-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979003 386048860 /nfs/dbraw/zinc/04/88/60/386048860.db2.gz SZPGZOSIKFOXAA-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP CN(C)c1nc(NC[C@@]2(C)CCC[NH2+]C2)cc[nH+]1 ZINC000129286050 386050896 /nfs/dbraw/zinc/05/08/96/386050896.db2.gz VTYGAPXRFFKWDD-ZDUSSCGKSA-N 2 1 249.362 1.344 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000336753533 386063846 /nfs/dbraw/zinc/06/38/46/386063846.db2.gz GXPPLVZSPYUQFS-WDEREUQCSA-N 2 1 212.337 1.261 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414651751 386072250 /nfs/dbraw/zinc/07/22/50/386072250.db2.gz GDBKRLJNFOJCQL-IHRRRGAJSA-N 3 1 239.407 1.306 20 0 BDADMP CO[C@H](C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404144 386077309 /nfs/dbraw/zinc/07/73/09/386077309.db2.gz OUJYRWYDGFKLSK-VXGBXAGGSA-N 2 1 214.353 1.437 20 0 BDADMP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000322775339 386088924 /nfs/dbraw/zinc/08/89/24/386088924.db2.gz JLKFIDCVCUUKGS-XDTLVQLUSA-N 2 1 247.342 1.245 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000286999115 386089341 /nfs/dbraw/zinc/08/93/41/386089341.db2.gz JZDDDOJNAYBEPM-HNNXBMFYSA-N 2 1 248.370 1.274 20 0 BDADMP CCOC(=O)c1ccc(C[NH2+][C@@H](C)CC[NH3+])o1 ZINC000414891662 386145811 /nfs/dbraw/zinc/14/58/11/386145811.db2.gz VZZPRBFOMMTXBL-VIFPVBQESA-N 2 1 240.303 1.283 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CC2)[C@H](C)C1 ZINC000188073633 386171283 /nfs/dbraw/zinc/17/12/83/386171283.db2.gz CJLGCCPOVOYNCQ-CHWSQXEVSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H](CC[NH+](C)C)Nc1[nH+]cnc2[nH]ccc21 ZINC000263766960 386175750 /nfs/dbraw/zinc/17/57/50/386175750.db2.gz JAANZPKUODLRGT-VIFPVBQESA-N 2 1 233.319 1.710 20 0 BDADMP COCc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414894751 386179991 /nfs/dbraw/zinc/17/99/91/386179991.db2.gz LQCODWAAQIQFHE-AWEZNQCLSA-N 2 1 234.343 1.660 20 0 BDADMP [NH3+]CCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000414692698 386183144 /nfs/dbraw/zinc/18/31/44/386183144.db2.gz KVSICMFXBXAMOP-CQSZACIVSA-N 2 1 234.343 1.317 20 0 BDADMP C[C@@H]1C[C@H](N(C)CC[NH2+]C(C)(C)C)CC[N@H+]1C ZINC000414692632 386183735 /nfs/dbraw/zinc/18/37/35/386183735.db2.gz CYNCVMQBVQWEAC-CHWSQXEVSA-N 2 1 241.423 1.789 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000414891268 386136840 /nfs/dbraw/zinc/13/68/40/386136840.db2.gz WJZQTYZDLVIETL-GXTWGEPZSA-N 2 1 218.344 1.817 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC[NH2+]1 ZINC000414700521 386208485 /nfs/dbraw/zinc/20/84/85/386208485.db2.gz GAZSBLPMBGISMW-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347064651 386211995 /nfs/dbraw/zinc/21/19/95/386211995.db2.gz ZMKFVQKQRZTPPK-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347064651 386211998 /nfs/dbraw/zinc/21/19/98/386211998.db2.gz ZMKFVQKQRZTPPK-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347064651 386212003 /nfs/dbraw/zinc/21/20/03/386212003.db2.gz ZMKFVQKQRZTPPK-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347064651 386212007 /nfs/dbraw/zinc/21/20/07/386212007.db2.gz ZMKFVQKQRZTPPK-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000647881635 386212113 /nfs/dbraw/zinc/21/21/13/386212113.db2.gz XNDCZTMOHWKTMJ-GFCCVEGCSA-N 2 1 230.355 1.695 20 0 BDADMP CC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000339023710 386215087 /nfs/dbraw/zinc/21/50/87/386215087.db2.gz NBZKRIRZXSALHM-WCQYABFASA-N 2 1 236.315 1.306 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC[NH3+])[C@H](CC)CN1C(C)=O ZINC000414707394 386217701 /nfs/dbraw/zinc/21/77/01/386217701.db2.gz NVNFPOUJYWWHCI-CHWSQXEVSA-N 2 1 241.379 1.057 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCOC2CCC2)CC1 ZINC000347074929 386218847 /nfs/dbraw/zinc/21/88/47/386218847.db2.gz LSGCAVYKWZBFPL-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCOC2CCC2)CC1 ZINC000347074929 386218854 /nfs/dbraw/zinc/21/88/54/386218854.db2.gz LSGCAVYKWZBFPL-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP COC(=O)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414706275 386219094 /nfs/dbraw/zinc/21/90/94/386219094.db2.gz LKAQPSNMAZRHPK-QWRGUYRKSA-N 2 1 240.347 1.012 20 0 BDADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347031671 386223311 /nfs/dbraw/zinc/22/33/11/386223311.db2.gz AIGUWFGFAXGZFF-JTQLQIEISA-N 2 1 236.363 1.488 20 0 BDADMP C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000366244742 386224050 /nfs/dbraw/zinc/22/40/50/386224050.db2.gz GJOVJWVMRZATFZ-RYUDHWBXSA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000366244742 386224057 /nfs/dbraw/zinc/22/40/57/386224057.db2.gz GJOVJWVMRZATFZ-RYUDHWBXSA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccncc1 ZINC000453198099 386231277 /nfs/dbraw/zinc/23/12/77/386231277.db2.gz ODCQJPYFLKPIIA-ZIAGYGMSSA-N 2 1 249.358 1.189 20 0 BDADMP CC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccncc1 ZINC000453198099 386231280 /nfs/dbraw/zinc/23/12/80/386231280.db2.gz ODCQJPYFLKPIIA-ZIAGYGMSSA-N 2 1 249.358 1.189 20 0 BDADMP C[NH2+]CCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000647882973 386239773 /nfs/dbraw/zinc/23/97/73/386239773.db2.gz VIJNMPDLJSBAIZ-UHFFFAOYSA-N 2 1 234.343 1.402 20 0 BDADMP CC[N@@H+](CCOC)CC[C@@H]1CCC[NH+]1C ZINC000336643895 386242841 /nfs/dbraw/zinc/24/28/41/386242841.db2.gz FASCGJODYGCFBN-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CCOC)CC[C@@H]1CCC[N@@H+]1C ZINC000336643895 386242848 /nfs/dbraw/zinc/24/28/48/386242848.db2.gz FASCGJODYGCFBN-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CC[NH+](CCOC)CC[C@@H]1CCC[N@H+]1C ZINC000336643895 386242850 /nfs/dbraw/zinc/24/28/50/386242850.db2.gz FASCGJODYGCFBN-LBPRGKRZSA-N 2 1 214.353 1.439 20 0 BDADMP CCC[N@@H+](C[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000347095816 386246790 /nfs/dbraw/zinc/24/67/90/386246790.db2.gz IINVUDKFEUQODF-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)CC[C@@H](C)O ZINC000414717821 386247202 /nfs/dbraw/zinc/24/72/02/386247202.db2.gz YEJYHQDHUPPCMQ-GHMZBOCLSA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H](C)O ZINC000414717821 386247204 /nfs/dbraw/zinc/24/72/04/386247204.db2.gz YEJYHQDHUPPCMQ-GHMZBOCLSA-N 2 1 202.342 1.063 20 0 BDADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347100017 386250168 /nfs/dbraw/zinc/25/01/68/386250168.db2.gz KBTXIALHFCIIQL-GFCCVEGCSA-N 2 1 247.342 1.426 20 0 BDADMP Oc1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647880403 386197699 /nfs/dbraw/zinc/19/76/99/386197699.db2.gz VOFHCLUESAQYIN-NSHDSACASA-N 2 1 232.327 1.360 20 0 BDADMP Oc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647880403 386197701 /nfs/dbraw/zinc/19/77/01/386197701.db2.gz VOFHCLUESAQYIN-NSHDSACASA-N 2 1 232.327 1.360 20 0 BDADMP COC1(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)CCC1 ZINC000338998424 386199085 /nfs/dbraw/zinc/19/90/85/386199085.db2.gz TYACODFWRXBHCN-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415005172 386297833 /nfs/dbraw/zinc/29/78/33/386297833.db2.gz ISGCDIBWIVWTAS-GHMZBOCLSA-N 2 1 245.330 1.093 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]1CO ZINC000414733915 386299038 /nfs/dbraw/zinc/29/90/38/386299038.db2.gz FEKCKFKGCZFGKV-LOWDOPEQSA-N 2 1 226.364 1.077 20 0 BDADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647886671 386300228 /nfs/dbraw/zinc/30/02/28/386300228.db2.gz HDTOPBWGMPDFNO-RWMBFGLXSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000414901802 386302157 /nfs/dbraw/zinc/30/21/57/386302157.db2.gz XLZLSRXWRZYRQG-LURJTMIESA-N 2 1 236.241 1.255 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000414739958 386314652 /nfs/dbraw/zinc/31/46/52/386314652.db2.gz CNBXCFBUOUEVRA-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000414739958 386314654 /nfs/dbraw/zinc/31/46/54/386314654.db2.gz CNBXCFBUOUEVRA-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](O)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336654888 386272564 /nfs/dbraw/zinc/27/25/64/386272564.db2.gz KMPZYKGIIVFCFQ-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336654888 386272567 /nfs/dbraw/zinc/27/25/67/386272567.db2.gz KMPZYKGIIVFCFQ-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336654888 386272569 /nfs/dbraw/zinc/27/25/69/386272569.db2.gz KMPZYKGIIVFCFQ-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H](O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336654888 386272574 /nfs/dbraw/zinc/27/25/74/386272574.db2.gz KMPZYKGIIVFCFQ-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](CCCO)CC[C@@H]1CCC[NH+]1C ZINC000336644641 386279933 /nfs/dbraw/zinc/27/99/33/386279933.db2.gz GVIUMDOEIVMXKN-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CCCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336644641 386279935 /nfs/dbraw/zinc/27/99/35/386279935.db2.gz GVIUMDOEIVMXKN-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CCCO)CC[C@@H]1CCC[N@H+]1C ZINC000336644641 386279938 /nfs/dbraw/zinc/27/99/38/386279938.db2.gz GVIUMDOEIVMXKN-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(O)CCC3)CC[C@@H]21 ZINC000335277174 386340251 /nfs/dbraw/zinc/34/02/51/386340251.db2.gz DCHLUXBCKKIRRF-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(O)CCC3)CC[C@@H]21 ZINC000335277174 386340254 /nfs/dbraw/zinc/34/02/54/386340254.db2.gz DCHLUXBCKKIRRF-STQMWFEESA-N 2 1 238.375 1.318 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000647888187 386341691 /nfs/dbraw/zinc/34/16/91/386341691.db2.gz YBGXHYDCAGNJES-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCO)CC1 ZINC000336683198 386343970 /nfs/dbraw/zinc/34/39/70/386343970.db2.gz SURAQQBQNSSEGW-UHFFFAOYSA-N 2 1 228.380 1.564 20 0 BDADMP CO[C@@H](C)C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336686550 386348067 /nfs/dbraw/zinc/34/80/67/386348067.db2.gz DYJVBXUPHJZLMS-LBPRGKRZSA-N 2 1 239.363 1.938 20 0 BDADMP CO[C@@H](C)C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336686550 386348070 /nfs/dbraw/zinc/34/80/70/386348070.db2.gz DYJVBXUPHJZLMS-LBPRGKRZSA-N 2 1 239.363 1.938 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)[C@@H](C)C1 ZINC000347308497 386350943 /nfs/dbraw/zinc/35/09/43/386350943.db2.gz BSBCAHQIWSUVSJ-UBHSHLNASA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000414745667 386351173 /nfs/dbraw/zinc/35/11/73/386351173.db2.gz PUUUFCVNMDVRKM-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000414745667 386351177 /nfs/dbraw/zinc/35/11/77/386351177.db2.gz PUUUFCVNMDVRKM-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000414747822 386357461 /nfs/dbraw/zinc/35/74/61/386357461.db2.gz UXBGPWINTHLWGE-ZDEQEGDKSA-N 2 1 226.364 1.063 20 0 BDADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414749998 386369699 /nfs/dbraw/zinc/36/96/99/386369699.db2.gz ZEBYDMYOBOWKOP-LPWJVIDDSA-N 2 1 226.364 1.077 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000336684228 386333972 /nfs/dbraw/zinc/33/39/72/386333972.db2.gz DXEVDEOHAWZDAR-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCOC1 ZINC000336684228 386333976 /nfs/dbraw/zinc/33/39/76/386333976.db2.gz DXEVDEOHAWZDAR-CYBMUJFWSA-N 2 1 237.347 1.692 20 0 BDADMP [NH3+]CCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000335275617 386335042 /nfs/dbraw/zinc/33/50/42/386335042.db2.gz BQNTZDJOPZBUIN-MNOVXSKESA-N 2 1 214.378 1.695 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)C2CCC2)CC[NH2+]1 ZINC000414744088 386337857 /nfs/dbraw/zinc/33/78/57/386337857.db2.gz HUMQKHLKXXMORA-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277519212 386442641 /nfs/dbraw/zinc/44/26/41/386442641.db2.gz QRNFFFVKKADXAW-CMPLNLGQSA-N 2 1 223.320 1.206 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCOC1 ZINC000336718827 386445260 /nfs/dbraw/zinc/44/52/60/386445260.db2.gz XIGIDLCRUHVMAK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000336718827 386445264 /nfs/dbraw/zinc/44/52/64/386445264.db2.gz XIGIDLCRUHVMAK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000336718827 386445266 /nfs/dbraw/zinc/44/52/66/386445266.db2.gz XIGIDLCRUHVMAK-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414753669 386388638 /nfs/dbraw/zinc/38/86/38/386388638.db2.gz QPLUXLMVDWURAZ-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H](O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336703725 386390950 /nfs/dbraw/zinc/39/09/50/386390950.db2.gz BQJAMSMSJSVKOC-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP COC[C@H]1CCCC[N@@H+](CCC[NH3+])C1 ZINC000414754053 386391553 /nfs/dbraw/zinc/39/15/53/386391553.db2.gz FOGTYWQLMTZVAD-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336704236 386393466 /nfs/dbraw/zinc/39/34/66/386393466.db2.gz PTAFEPPPCQQHOD-FRRDWIJNSA-N 2 1 226.364 1.364 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647891477 386393814 /nfs/dbraw/zinc/39/38/14/386393814.db2.gz IOUUNAKUFZMHJR-QWHCGFSZSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1ccc(CCC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000339407085 386410196 /nfs/dbraw/zinc/41/01/96/386410196.db2.gz KWWDFFBUYCNOTN-UKRRQHHQSA-N 2 1 247.386 1.992 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC[C@@H]2CCCO2)CC[NH2+]1 ZINC000414759968 386413357 /nfs/dbraw/zinc/41/33/57/386413357.db2.gz PMEINXCSWQWPLN-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000093466166 386415323 /nfs/dbraw/zinc/41/53/23/386415323.db2.gz LXBZTSHXDFVMES-JOYOIKCWSA-N 2 1 237.347 1.912 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427789 386420507 /nfs/dbraw/zinc/42/05/07/386420507.db2.gz BOZFJUJYPPSTQH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339427789 386420508 /nfs/dbraw/zinc/42/05/08/386420508.db2.gz BOZFJUJYPPSTQH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339427789 386420512 /nfs/dbraw/zinc/42/05/12/386420512.db2.gz BOZFJUJYPPSTQH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CCC[N@H+](C[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000647894288 386430241 /nfs/dbraw/zinc/43/02/41/386430241.db2.gz KRXWBUZKKWXMLV-LBPRGKRZSA-N 3 1 225.380 1.060 20 0 BDADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000647894288 386430247 /nfs/dbraw/zinc/43/02/47/386430247.db2.gz KRXWBUZKKWXMLV-LBPRGKRZSA-N 3 1 225.380 1.060 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1(O)CCC1 ZINC000336713548 386431091 /nfs/dbraw/zinc/43/10/91/386431091.db2.gz PUHPKFMATMKKQU-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1(O)CCC1 ZINC000336713548 386431096 /nfs/dbraw/zinc/43/10/96/386431096.db2.gz PUHPKFMATMKKQU-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1(O)CCC1 ZINC000336713548 386431099 /nfs/dbraw/zinc/43/10/99/386431099.db2.gz PUHPKFMATMKKQU-CYBMUJFWSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H]([NH3+])CCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000277426421 386432932 /nfs/dbraw/zinc/43/29/32/386432932.db2.gz BLMCTZZQSIZDRD-VIFPVBQESA-N 2 1 236.319 1.214 20 0 BDADMP Cn1cccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277467248 386436353 /nfs/dbraw/zinc/43/63/53/386436353.db2.gz LUWXZGJEHTZZFB-CYBMUJFWSA-N 2 1 235.375 1.941 20 0 BDADMP Cn1cccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277467248 386436363 /nfs/dbraw/zinc/43/63/63/386436363.db2.gz LUWXZGJEHTZZFB-CYBMUJFWSA-N 2 1 235.375 1.941 20 0 BDADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000647934505 386475190 /nfs/dbraw/zinc/47/51/90/386475190.db2.gz HKURNNKAVCNNPO-UONOGXRCSA-N 3 1 239.407 1.435 20 0 BDADMP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000335365190 386477040 /nfs/dbraw/zinc/47/70/40/386477040.db2.gz ZCSLSGGQAOQCDP-QWHCGFSZSA-N 2 1 219.332 1.547 20 0 BDADMP CC(C)C[C@@H](N)C[NH2+][C@H](C)CCCC[NH3+] ZINC000415011687 386488946 /nfs/dbraw/zinc/48/89/46/386488946.db2.gz HUZMQFIRQDZCED-VXGBXAGGSA-N 2 1 215.385 1.467 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780330 386495191 /nfs/dbraw/zinc/49/51/91/386495191.db2.gz LIKUCWYIHKKDKM-AGIUHOORSA-N 2 1 238.375 1.330 20 0 BDADMP CC[C@@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000336776665 386503289 /nfs/dbraw/zinc/50/32/89/386503289.db2.gz GGMWGPPAXJUXOU-LLVKDONJSA-N 2 1 223.320 1.008 20 0 BDADMP CC(C)Oc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415042114 386529970 /nfs/dbraw/zinc/52/99/70/386529970.db2.gz SCDKUOOJTSQJNW-FICVDOATSA-N 2 1 246.354 1.781 20 0 BDADMP Fc1ccc(/C=C/C[NH2+]C2[C@H]3C[NH2+]C[C@@H]23)cc1 ZINC000415020484 386511455 /nfs/dbraw/zinc/51/14/55/386511455.db2.gz BANCNDOLJUZICB-NPNXUESMSA-N 2 1 232.302 1.646 20 0 BDADMP c1oc2ccccc2c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034454 386521104 /nfs/dbraw/zinc/52/11/04/386521104.db2.gz JOGOQWKSKPYKDC-IMRBUKKESA-N 2 1 228.295 1.740 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000417363042 386576770 /nfs/dbraw/zinc/57/67/70/386576770.db2.gz LDUYGKWIVYQHFW-IHRRRGAJSA-N 2 1 242.407 1.977 20 0 BDADMP CSCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365650128 386581074 /nfs/dbraw/zinc/58/10/74/386581074.db2.gz QNLKPAJLNWVXBC-NSHDSACASA-N 2 1 239.388 1.963 20 0 BDADMP Cc1nc(F)ccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291787367 386582646 /nfs/dbraw/zinc/58/26/46/386582646.db2.gz VPXOHBBLLWZMAE-SNVBAGLBSA-N 2 1 239.338 1.816 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000415083292 386595108 /nfs/dbraw/zinc/59/51/08/386595108.db2.gz PQMJGMSTQHUKGS-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415083292 386595112 /nfs/dbraw/zinc/59/51/12/386595112.db2.gz PQMJGMSTQHUKGS-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000415044647 386531519 /nfs/dbraw/zinc/53/15/19/386531519.db2.gz SOSQIPNMBHCYIQ-SNVBAGLBSA-N 2 1 242.363 1.306 20 0 BDADMP C[N@@H+](C[C@@H]1CCCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000062911670 386532808 /nfs/dbraw/zinc/53/28/08/386532808.db2.gz MFEHWYIUWSNTSR-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC000647995364 386538829 /nfs/dbraw/zinc/53/88/29/386538829.db2.gz RPIGZJNYKRHUMH-QWHCGFSZSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC000647995365 386539498 /nfs/dbraw/zinc/53/94/98/386539498.db2.gz RPIGZJNYKRHUMH-STQMWFEESA-N 3 1 237.391 1.060 20 0 BDADMP C[N@H+](C/C=C/c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000415064001 386543622 /nfs/dbraw/zinc/54/36/22/386543622.db2.gz BGTBMEDVNRQNKU-YWVDXFKGSA-N 2 1 238.306 1.090 20 0 BDADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000415064001 386543625 /nfs/dbraw/zinc/54/36/25/386543625.db2.gz BGTBMEDVNRQNKU-YWVDXFKGSA-N 2 1 238.306 1.090 20 0 BDADMP C[N@H+](C/C=C\c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000415063855 386543866 /nfs/dbraw/zinc/54/38/66/386543866.db2.gz BGTBMEDVNRQNKU-XQJDBVBESA-N 2 1 238.306 1.090 20 0 BDADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000415063855 386543869 /nfs/dbraw/zinc/54/38/69/386543869.db2.gz BGTBMEDVNRQNKU-XQJDBVBESA-N 2 1 238.306 1.090 20 0 BDADMP [NH3+]C[C@H]([NH2+][C@H]1CCCOCC1)C1CCCC1 ZINC000415064688 386545748 /nfs/dbraw/zinc/54/57/48/386545748.db2.gz LCLNLVDZDSFCGZ-STQMWFEESA-N 2 1 226.364 1.663 20 0 BDADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415068005 386552425 /nfs/dbraw/zinc/55/24/25/386552425.db2.gz LXWYNIGBTQBTJK-JSGCOSHPSA-N 2 1 236.359 1.117 20 0 BDADMP C[N@@H+](Cc1ccc(C(F)F)cc1)C[C@@H](O)C[NH3+] ZINC000415073215 386559562 /nfs/dbraw/zinc/55/95/62/386559562.db2.gz YBROPQMGHRPUIC-NSHDSACASA-N 2 1 244.285 1.376 20 0 BDADMP C[N@H+](Cc1ccc(C(F)F)cc1)C[C@@H](O)C[NH3+] ZINC000415073215 386559566 /nfs/dbraw/zinc/55/95/66/386559566.db2.gz YBROPQMGHRPUIC-NSHDSACASA-N 2 1 244.285 1.376 20 0 BDADMP C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000335405063 386562355 /nfs/dbraw/zinc/56/23/55/386562355.db2.gz CEMANGUJOLOWOW-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H](CC[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415072568 386563406 /nfs/dbraw/zinc/56/34/06/386563406.db2.gz WUSWUYDDFLREDZ-GXTWGEPZSA-N 2 1 236.359 1.432 20 0 BDADMP COCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976213 386570731 /nfs/dbraw/zinc/57/07/31/386570731.db2.gz LMRYDXZFTHANDG-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC000335496783 386621193 /nfs/dbraw/zinc/62/11/93/386621193.db2.gz NKVSQRTVQGLTLU-MFKMUULPSA-N 2 1 204.317 1.919 20 0 BDADMP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1F ZINC000414810032 386621151 /nfs/dbraw/zinc/62/11/51/386621151.db2.gz WMEDUAFMIWUNPQ-UHFFFAOYSA-N 2 1 210.296 1.961 20 0 BDADMP C[N@H+](CC[NH3+])CCCCOc1ccccc1 ZINC000415113948 386621445 /nfs/dbraw/zinc/62/14/45/386621445.db2.gz UTHXYMLBJLFOMY-UHFFFAOYSA-N 2 1 222.332 1.736 20 0 BDADMP C[N@@H+](CC[NH3+])CCCCOc1ccccc1 ZINC000415113948 386621454 /nfs/dbraw/zinc/62/14/54/386621454.db2.gz UTHXYMLBJLFOMY-UHFFFAOYSA-N 2 1 222.332 1.736 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000335497748 386624003 /nfs/dbraw/zinc/62/40/03/386624003.db2.gz YNBRQERSZDUVFZ-PRHODGIISA-N 2 1 208.280 1.750 20 0 BDADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414811812 386627721 /nfs/dbraw/zinc/62/77/21/386627721.db2.gz WQNXLQUZWGXDAD-CYBMUJFWSA-N 2 1 220.316 1.522 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](O)CC1 ZINC000339779888 386628618 /nfs/dbraw/zinc/62/86/18/386628618.db2.gz MPQQZDVBIHETGP-ZDUSSCGKSA-N 2 1 228.380 1.565 20 0 BDADMP CC(C)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415127432 386633595 /nfs/dbraw/zinc/63/35/95/386633595.db2.gz NAUPOZKABYZISH-GFCCVEGCSA-N 2 1 237.351 1.030 20 0 BDADMP C[C@H]([NH3+])c1ccc(CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000414811626 386638117 /nfs/dbraw/zinc/63/81/17/386638117.db2.gz PZTASMLQRGKKIM-JSGCOSHPSA-N 2 1 247.386 1.796 20 0 BDADMP Cc1ccc(F)cc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414812163 386641215 /nfs/dbraw/zinc/64/12/15/386641215.db2.gz WYYBUJRUOWKOGM-ZDUSSCGKSA-N 2 1 222.307 1.961 20 0 BDADMP C[C@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000335509215 386643008 /nfs/dbraw/zinc/64/30/08/386643008.db2.gz BGTWQGIHJLCYHP-XEAZBWPWSA-N 2 1 200.301 1.607 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)COCC ZINC000414816340 386645356 /nfs/dbraw/zinc/64/53/56/386645356.db2.gz PMJXYLPSGDOHAW-MNOVXSKESA-N 2 1 202.342 1.519 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]CC1CC[NH2+]CC1 ZINC000414814882 386650291 /nfs/dbraw/zinc/65/02/91/386650291.db2.gz OLYPIXRZPJBBGH-GFCCVEGCSA-N 3 1 213.369 1.093 20 0 BDADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000415086968 386604362 /nfs/dbraw/zinc/60/43/62/386604362.db2.gz SJACQMDOKIKUKS-CYBMUJFWSA-N 2 1 218.344 1.797 20 0 BDADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(O)c1 ZINC000414805935 386605731 /nfs/dbraw/zinc/60/57/31/386605731.db2.gz PIIJYXKPYCLSDI-UHFFFAOYSA-N 2 1 222.332 1.999 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2CCO)CC[NH2+]1 ZINC000415090394 386610346 /nfs/dbraw/zinc/61/03/46/386610346.db2.gz ALLGJYWPISGBGF-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414807855 386611898 /nfs/dbraw/zinc/61/18/98/386611898.db2.gz RPNJBTPMTTYTEF-QWRGUYRKSA-N 2 1 222.336 1.325 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H]1CCCOC1 ZINC000414806363 386614582 /nfs/dbraw/zinc/61/45/82/386614582.db2.gz BPYMBOYQLNGVFL-NWDGAFQWSA-N 2 1 214.353 1.520 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+]C[C@@H]1CCCOC1 ZINC000414806364 386615646 /nfs/dbraw/zinc/61/56/46/386615646.db2.gz BPYMBOYQLNGVFL-RYUDHWBXSA-N 2 1 214.353 1.520 20 0 BDADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])C[C@H]1C ZINC000414923745 386616567 /nfs/dbraw/zinc/61/65/67/386616567.db2.gz FTICLBCDIAWVBB-DDHJBXDOSA-N 2 1 242.363 1.291 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H](C)CO ZINC000450741627 386659247 /nfs/dbraw/zinc/65/92/47/386659247.db2.gz ZYWYPBLCNFIBAS-NEPJUHHUSA-N 2 1 239.363 1.578 20 0 BDADMP C[NH2+]CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000414820702 386673596 /nfs/dbraw/zinc/67/35/96/386673596.db2.gz CUCKKQATFRUUSQ-GFCCVEGCSA-N 2 1 206.333 1.989 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000414823891 386679833 /nfs/dbraw/zinc/67/98/33/386679833.db2.gz FFDJHASQVUFJFG-LBPRGKRZSA-N 2 1 249.358 1.570 20 0 BDADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)COC ZINC000414816747 386658955 /nfs/dbraw/zinc/65/89/55/386658955.db2.gz QKMFIXLRIDDQGB-MNOVXSKESA-N 2 1 202.342 1.519 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414837438 386734276 /nfs/dbraw/zinc/73/42/76/386734276.db2.gz XKOTWCUHYANQQW-LBPRGKRZSA-N 2 1 228.380 1.638 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC000414833839 386713278 /nfs/dbraw/zinc/71/32/78/386713278.db2.gz BDADSZZABLRKOD-UHFFFAOYSA-N 2 1 219.332 1.833 20 0 BDADMP CCS[C@@H]1CCCC[N@@H+](CCOCC[NH3+])C1 ZINC000357084381 386714222 /nfs/dbraw/zinc/71/42/22/386714222.db2.gz PZFFSJDAZNHRNT-GFCCVEGCSA-N 2 1 246.420 1.569 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(C[NH3+])CC1 ZINC000414832519 386717307 /nfs/dbraw/zinc/71/73/07/386717307.db2.gz DQXNFZZTTMFIHE-BPCQOVAHSA-N 3 1 227.396 1.467 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1Cc1nccn1C)CC[NH2+]CC2 ZINC000335543947 386727899 /nfs/dbraw/zinc/72/78/99/386727899.db2.gz NVHWXGPTBRPXEZ-GFCCVEGCSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@H]1CC2(C[N@H+]1CC1(C[NH3+])CC1)CC[NH2+]CC2 ZINC000335543087 386728128 /nfs/dbraw/zinc/72/81/28/386728128.db2.gz IEKQOJVKVDFWCJ-LBPRGKRZSA-N 3 1 237.391 1.189 20 0 BDADMP Nc1ncc(C[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000414839784 386746029 /nfs/dbraw/zinc/74/60/29/386746029.db2.gz JKZMNYSYPJZDFX-UHFFFAOYSA-N 2 1 240.376 1.307 20 0 BDADMP CC[C@@H](COC)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414840096 386746798 /nfs/dbraw/zinc/74/67/98/386746798.db2.gz MGNHPSLKPZHIFU-QWRGUYRKSA-N 2 1 202.342 1.374 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414842110 386748885 /nfs/dbraw/zinc/74/88/85/386748885.db2.gz NRVMWZIWQALHIZ-YNEHKIRRSA-N 3 1 227.396 1.338 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccnn1C(C)C ZINC000414840774 386751734 /nfs/dbraw/zinc/75/17/34/386751734.db2.gz NGEXQGYTCSUALP-LLVKDONJSA-N 2 1 224.352 1.409 20 0 BDADMP COC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C(C)C ZINC000336761488 386764988 /nfs/dbraw/zinc/76/49/88/386764988.db2.gz KOIIQQSHFBUTNO-CYBMUJFWSA-N 2 1 226.364 1.509 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000020439804 386794910 /nfs/dbraw/zinc/79/49/10/386794910.db2.gz KVSXYXMZLSWKBW-GFCCVEGCSA-N 2 1 219.332 1.642 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000336665657 386771642 /nfs/dbraw/zinc/77/16/42/386771642.db2.gz PQDWOJZWULQLPK-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336665657 386771643 /nfs/dbraw/zinc/77/16/43/386771643.db2.gz PQDWOJZWULQLPK-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336665657 386771650 /nfs/dbraw/zinc/77/16/50/386771650.db2.gz PQDWOJZWULQLPK-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336665657 386771655 /nfs/dbraw/zinc/77/16/55/386771655.db2.gz PQDWOJZWULQLPK-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP CC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336665657 386771662 /nfs/dbraw/zinc/77/16/62/386771662.db2.gz PQDWOJZWULQLPK-WCQYABFASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000396601322 386787838 /nfs/dbraw/zinc/78/78/38/386787838.db2.gz XKGPKQXVEHNOSD-XUXIUFHCSA-N 2 1 237.391 1.343 20 0 BDADMP C[NH2+]Cc1noc(-c2cccc(C[NH+](C)C)c2)n1 ZINC000414507823 386800167 /nfs/dbraw/zinc/80/01/67/386800167.db2.gz ZLJFDHDMQILHPE-UHFFFAOYSA-N 2 1 246.314 1.518 20 0 BDADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000395000934 386800686 /nfs/dbraw/zinc/80/06/86/386800686.db2.gz JKJVSJYIESRHFE-FQUUOJAGSA-N 2 1 242.407 1.977 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414935244 386807044 /nfs/dbraw/zinc/80/70/44/386807044.db2.gz VBQJAUJZOGPRGS-PKRMOACSSA-N 2 1 226.270 1.915 20 0 BDADMP c1cc2c(ncnc2NCC[N@@H+]2CC=CCC2)[nH]1 ZINC000280375023 386808716 /nfs/dbraw/zinc/80/87/16/386808716.db2.gz YTXBLBQPCCSEIE-UHFFFAOYSA-N 2 1 243.314 1.632 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000334785336 386845144 /nfs/dbraw/zinc/84/51/44/386845144.db2.gz ODFCHBGKCPPZHP-YPMHNXCESA-N 2 1 233.359 1.868 20 0 BDADMP C[C@H]1CCC[C@H](C)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000334787863 386849413 /nfs/dbraw/zinc/84/94/13/386849413.db2.gz YPSNOVMPDQIKDL-KBPBESRZSA-N 2 1 239.407 1.402 20 0 BDADMP CC(C)n1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414942956 386893350 /nfs/dbraw/zinc/89/33/50/386893350.db2.gz DVJCQYDSDFLVRT-WCQYABFASA-N 2 1 236.363 1.694 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414939253 386869658 /nfs/dbraw/zinc/86/96/58/386869658.db2.gz ZMEGKOBQIWXSPT-LLVKDONJSA-N 2 1 234.343 1.912 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCOCC3(CC3)C2)CC[NH2+]1 ZINC000334832926 386870659 /nfs/dbraw/zinc/87/06/59/386870659.db2.gz IVBXPKOTTVGPLC-OLZOCXBDSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCOCC3(CC3)C2)CC[NH2+]1 ZINC000334832925 386871452 /nfs/dbraw/zinc/87/14/52/386871452.db2.gz IVBXPKOTTVGPLC-CHWSQXEVSA-N 2 1 238.375 1.487 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C12CCC2 ZINC000308389206 386894766 /nfs/dbraw/zinc/89/47/66/386894766.db2.gz ICLYVSWTGUJJRB-QWHCGFSZSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000414941022 386889137 /nfs/dbraw/zinc/88/91/37/386889137.db2.gz YDGYEQMLLRSCQB-GRYCIOLGSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1 ZINC000414943083 386896901 /nfs/dbraw/zinc/89/69/01/386896901.db2.gz LJUFRBHWBFWJER-UWVGGRQHSA-N 2 1 210.296 1.866 20 0 BDADMP [NH3+]CCC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000334849115 386898084 /nfs/dbraw/zinc/89/80/84/386898084.db2.gz VEQUQVUBMOLTRK-UHFFFAOYSA-N 2 1 206.289 1.099 20 0 BDADMP [NH3+]CCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000334849115 386898086 /nfs/dbraw/zinc/89/80/86/386898086.db2.gz VEQUQVUBMOLTRK-UHFFFAOYSA-N 2 1 206.289 1.099 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443081 386900068 /nfs/dbraw/zinc/90/00/68/386900068.db2.gz CQQAJEOZQBEDKU-GVXVVHGQSA-N 2 1 249.358 1.921 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000340443081 386900073 /nfs/dbraw/zinc/90/00/73/386900073.db2.gz CQQAJEOZQBEDKU-GVXVVHGQSA-N 2 1 249.358 1.921 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000334820027 386947354 /nfs/dbraw/zinc/94/73/54/386947354.db2.gz LCTKJRZYXZANSY-BXKDBHETSA-N 2 1 236.363 1.443 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257540 386921974 /nfs/dbraw/zinc/92/19/74/386921974.db2.gz SASNKOAEXPEFGE-ZIAGYGMSSA-N 2 1 240.391 1.778 20 0 BDADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257540 386921980 /nfs/dbraw/zinc/92/19/80/386921980.db2.gz SASNKOAEXPEFGE-ZIAGYGMSSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000161708997 386927445 /nfs/dbraw/zinc/92/74/45/386927445.db2.gz JVPXDOPBNYMPKD-YPMHNXCESA-N 2 1 219.332 1.293 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334868839 386928737 /nfs/dbraw/zinc/92/87/37/386928737.db2.gz MRBBTPSOXZPVBJ-OCCSQVGLSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334868839 386928742 /nfs/dbraw/zinc/92/87/42/386928742.db2.gz MRBBTPSOXZPVBJ-OCCSQVGLSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334873213 386935624 /nfs/dbraw/zinc/93/56/24/386935624.db2.gz FDOQVKOVIQXHGX-LLVKDONJSA-N 2 1 226.364 1.663 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000162188178 386948057 /nfs/dbraw/zinc/94/80/57/386948057.db2.gz ZRXCTXRPLBVRIS-PWSUYJOCSA-N 2 1 205.305 1.251 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1SC ZINC000425352045 386961162 /nfs/dbraw/zinc/96/11/62/386961162.db2.gz HKGJRQJLAAZVQQ-NWDGAFQWSA-N 2 1 246.420 1.438 20 0 BDADMP CS[C@H]1CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000425353842 386963547 /nfs/dbraw/zinc/96/35/47/386963547.db2.gz NJYSVHUZTDGBFC-NEPJUHHUSA-N 2 1 226.389 1.732 20 0 BDADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCOCC2(CC2)C1 ZINC000334898500 386972826 /nfs/dbraw/zinc/97/28/26/386972826.db2.gz IAOOHEGOHZJTFQ-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCOCC2(CC2)C1 ZINC000334898500 386972831 /nfs/dbraw/zinc/97/28/31/386972831.db2.gz IAOOHEGOHZJTFQ-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCOCC2(CC2)C1 ZINC000334898500 386972834 /nfs/dbraw/zinc/97/28/34/386972834.db2.gz IAOOHEGOHZJTFQ-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCOCC2(CC2)C1 ZINC000334898500 386972840 /nfs/dbraw/zinc/97/28/40/386972840.db2.gz IAOOHEGOHZJTFQ-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP CC[NH+](CC)CCC[N@H+](C)C1(CO)CC1 ZINC000353020909 386980199 /nfs/dbraw/zinc/98/01/99/386980199.db2.gz IUJSFBCNFOBCRH-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)C1(CO)CC1 ZINC000353020909 386980205 /nfs/dbraw/zinc/98/02/05/386980205.db2.gz IUJSFBCNFOBCRH-UHFFFAOYSA-N 2 1 214.353 1.175 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@H]1CCCC[NH2+]1 ZINC000332644899 386996324 /nfs/dbraw/zinc/99/63/24/386996324.db2.gz SJHJZITWOZNBSS-RAIGVLPGSA-N 2 1 248.374 1.387 20 0 BDADMP CC[C@H](CNC(N)=[NH2+])[N@H+]1CCc2ccccc2C1 ZINC000303255166 386997088 /nfs/dbraw/zinc/99/70/88/386997088.db2.gz GBZBBIRWZPIJIM-CYBMUJFWSA-N 2 1 246.358 1.306 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(O)c1 ZINC000126771042 387046651 /nfs/dbraw/zinc/04/66/51/387046651.db2.gz OWTMIZDXPMWYME-ZYHUDNBSSA-N 2 1 220.316 1.561 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1(C(N)=O)CCCC1 ZINC000333710360 387051601 /nfs/dbraw/zinc/05/16/01/387051601.db2.gz SFYPUUOLQLFMNO-LLVKDONJSA-N 2 1 239.363 1.766 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000334970284 387055159 /nfs/dbraw/zinc/05/51/59/387055159.db2.gz UGYMIWJZXYHQQT-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369654303 387057356 /nfs/dbraw/zinc/05/73/56/387057356.db2.gz CPUYYNNVOGNHHE-XJFOESAGSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369654303 387057359 /nfs/dbraw/zinc/05/73/59/387057359.db2.gz CPUYYNNVOGNHHE-XJFOESAGSA-N 2 1 238.375 1.173 20 0 BDADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369654303 387057361 /nfs/dbraw/zinc/05/73/61/387057361.db2.gz CPUYYNNVOGNHHE-XJFOESAGSA-N 2 1 238.375 1.173 20 0 BDADMP C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CCCC[NH2+]1 ZINC000333344067 387028163 /nfs/dbraw/zinc/02/81/63/387028163.db2.gz YTPWISBWASLALW-DRZSPHRISA-N 2 1 248.374 1.387 20 0 BDADMP CC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766717 387070486 /nfs/dbraw/zinc/07/04/86/387070486.db2.gz OLKZROSAKHJZHS-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP CC[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766717 387070491 /nfs/dbraw/zinc/07/04/91/387070491.db2.gz OLKZROSAKHJZHS-RYUDHWBXSA-N 2 1 214.353 1.173 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359230544 387072425 /nfs/dbraw/zinc/07/24/25/387072425.db2.gz ZSHLRPVAMHPYHK-JSGCOSHPSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000126912391 387073738 /nfs/dbraw/zinc/07/37/38/387073738.db2.gz GVHVETQWFJFVQT-SMDDNHRTSA-N 2 1 246.354 1.791 20 0 BDADMP Cc1cnn(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334991271 387080663 /nfs/dbraw/zinc/08/06/63/387080663.db2.gz CNSALAWXERZEFS-AWEZNQCLSA-N 2 1 248.374 1.267 20 0 BDADMP Cc1cnn(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334991271 387080669 /nfs/dbraw/zinc/08/06/69/387080669.db2.gz CNSALAWXERZEFS-AWEZNQCLSA-N 2 1 248.374 1.267 20 0 BDADMP CN(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359302130 387082554 /nfs/dbraw/zinc/08/25/54/387082554.db2.gz IWIFBQKSPQIPCG-OKILXGFUSA-N 2 1 245.370 1.274 20 0 BDADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334996825 387088093 /nfs/dbraw/zinc/08/80/93/387088093.db2.gz VYUNURGCAHGILO-KBPBESRZSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000335008281 387103127 /nfs/dbraw/zinc/10/31/27/387103127.db2.gz RRQHDZMNHPDINH-QTAHKJALSA-N 2 1 214.328 1.997 20 0 BDADMP C1C[C@]2(CS1)CCC[N@H+](C1CC[NH2+]CC1)C2 ZINC000335010168 387104211 /nfs/dbraw/zinc/10/42/11/387104211.db2.gz PBDVOUGJKKVQIB-CYBMUJFWSA-N 2 1 240.416 1.958 20 0 BDADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)CC[N@H+]1C ZINC000335011474 387106539 /nfs/dbraw/zinc/10/65/39/387106539.db2.gz SXIJHRFSZPCIKQ-OLZOCXBDSA-N 2 1 239.407 1.720 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000335030676 387125113 /nfs/dbraw/zinc/12/51/13/387125113.db2.gz NTRSOWSIEUTEGM-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423306387 387141571 /nfs/dbraw/zinc/14/15/71/387141571.db2.gz DXQVNRCTJRGOSY-UPJWGTAASA-N 2 1 240.391 1.779 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000353143937 387145672 /nfs/dbraw/zinc/14/56/72/387145672.db2.gz BHWAHSKOCOOBJP-DGCLKSJQSA-N 2 1 249.358 1.805 20 0 BDADMP CCC[NH2+]CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423312175 387147755 /nfs/dbraw/zinc/14/77/55/387147755.db2.gz RKDYXFSBQPJKTA-RYUDHWBXSA-N 2 1 225.380 1.201 20 0 BDADMP CCN(CC)[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000249986496 387151590 /nfs/dbraw/zinc/15/15/90/387151590.db2.gz SMKJWTLDQVYBBM-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+](CC)[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000249986496 387151593 /nfs/dbraw/zinc/15/15/93/387151593.db2.gz SMKJWTLDQVYBBM-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP COC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353391371 387192921 /nfs/dbraw/zinc/19/29/21/387192921.db2.gz CDNJBYSEHDOWBB-JHJVBQTASA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cnn(C)c1 ZINC000423323221 387166048 /nfs/dbraw/zinc/16/60/48/387166048.db2.gz OPNGKNCDINJNJX-VXGBXAGGSA-N 2 1 222.336 1.198 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423323721 387167913 /nfs/dbraw/zinc/16/79/13/387167913.db2.gz KDURKZSJVJKYHS-FDYHWXHSSA-N 2 1 226.364 1.519 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330255 387175449 /nfs/dbraw/zinc/17/54/49/387175449.db2.gz BQUVRNYAAJQDMF-JSGCOSHPSA-N 3 1 237.391 1.226 20 0 BDADMP CCN1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423330255 387175455 /nfs/dbraw/zinc/17/54/55/387175455.db2.gz BQUVRNYAAJQDMF-JSGCOSHPSA-N 2 1 237.391 1.226 20 0 BDADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)[C@@H]2CCC[C@H]21 ZINC000423334504 387180196 /nfs/dbraw/zinc/18/01/96/387180196.db2.gz WNXPVNBVBARTQQ-XDQVBPFNSA-N 2 1 237.391 1.186 20 0 BDADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)[C@H]2CCC[C@@H]21 ZINC000423334497 387180540 /nfs/dbraw/zinc/18/05/40/387180540.db2.gz WNXPVNBVBARTQQ-RFGFWPKPSA-N 2 1 237.391 1.186 20 0 BDADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)[C@@H]2CCC[C@@H]21 ZINC000423334505 387181811 /nfs/dbraw/zinc/18/18/11/387181811.db2.gz WNXPVNBVBARTQQ-XUXIUFHCSA-N 2 1 237.391 1.186 20 0 BDADMP CC1(C)[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]2CCCO[C@@H]21 ZINC000423305477 387139160 /nfs/dbraw/zinc/13/91/60/387139160.db2.gz QSULZDFQPKPGBW-RVMXOQNASA-N 2 1 238.375 1.532 20 0 BDADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423304638 387139210 /nfs/dbraw/zinc/13/92/10/387139210.db2.gz OLWZHGBSBZKLHI-LLVKDONJSA-N 2 1 234.343 1.874 20 0 BDADMP C[C@H](CCCC[NH3+])N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423425474 387252763 /nfs/dbraw/zinc/25/27/63/387252763.db2.gz GUSFZPZFMTXWLU-GRYCIOLGSA-N 2 1 213.369 1.234 20 0 BDADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000336381655 387211175 /nfs/dbraw/zinc/21/11/75/387211175.db2.gz XNJQCYYDLLTLML-QWHCGFSZSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000423360996 387212575 /nfs/dbraw/zinc/21/25/75/387212575.db2.gz GKGVJPKEKJRYKH-SDDRHHMPSA-N 2 1 228.380 1.763 20 0 BDADMP CN(CC[C@H]1CCCC[N@H+]1C)C1CC(O)C1 ZINC000353498378 387215650 /nfs/dbraw/zinc/21/56/50/387215650.db2.gz VCELLXASVXWPAF-PNESKVBLSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C1CC(O)C1 ZINC000353498378 387215663 /nfs/dbraw/zinc/21/56/63/387215663.db2.gz VCELLXASVXWPAF-PNESKVBLSA-N 2 1 226.364 1.316 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C1CC(O)C1 ZINC000353498378 387215666 /nfs/dbraw/zinc/21/56/66/387215666.db2.gz VCELLXASVXWPAF-PNESKVBLSA-N 2 1 226.364 1.316 20 0 BDADMP C1CC([N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000371464175 387219418 /nfs/dbraw/zinc/21/94/18/387219418.db2.gz PHLILYKYWVXWME-UBHSHLNASA-N 2 1 220.360 1.955 20 0 BDADMP C1CC([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000371464175 387219421 /nfs/dbraw/zinc/21/94/21/387219421.db2.gz PHLILYKYWVXWME-UBHSHLNASA-N 2 1 220.360 1.955 20 0 BDADMP C1CC([NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000371464175 387219424 /nfs/dbraw/zinc/21/94/24/387219424.db2.gz PHLILYKYWVXWME-UBHSHLNASA-N 2 1 220.360 1.955 20 0 BDADMP COCCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230030291 387229546 /nfs/dbraw/zinc/22/95/46/387229546.db2.gz SDEVBJKWOQZVMF-UHFFFAOYSA-N 2 1 236.359 1.874 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000423373288 387230223 /nfs/dbraw/zinc/23/02/23/387230223.db2.gz JCGRYNCUQGGILQ-XWUBHJNHSA-N 2 1 237.391 1.199 20 0 BDADMP CN(C)CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000336423467 387253545 /nfs/dbraw/zinc/25/35/45/387253545.db2.gz KGFBMIWLMDWVQZ-UHFFFAOYSA-N 2 1 247.342 1.027 20 0 BDADMP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000423344812 387195594 /nfs/dbraw/zinc/19/55/94/387195594.db2.gz YEXPDZUUJSNTHL-STQMWFEESA-N 2 1 239.407 1.496 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423348891 387198951 /nfs/dbraw/zinc/19/89/51/387198951.db2.gz UTLYSCZYOSXTEX-HZSPNIEDSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423348893 387200197 /nfs/dbraw/zinc/20/01/97/387200197.db2.gz UTLYSCZYOSXTEX-MGPQQGTHSA-N 2 1 239.407 1.354 20 0 BDADMP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)[C@H]1CCCCN1 ZINC000423465974 387313378 /nfs/dbraw/zinc/31/33/78/387313378.db2.gz AGTITRPOTRULHB-HZSPNIEDSA-N 2 1 239.407 1.639 20 0 BDADMP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423429037 387254054 /nfs/dbraw/zinc/25/40/54/387254054.db2.gz JXHSNXKYDCSYFH-UZGDPCLZSA-N 2 1 232.302 1.620 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000120590155 387255778 /nfs/dbraw/zinc/25/57/78/387255778.db2.gz LUXXPNCMTHHOSC-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423377602 387260552 /nfs/dbraw/zinc/26/05/52/387260552.db2.gz VRGAWXBGKIAUSQ-SMDDNHRTSA-N 2 1 218.344 1.945 20 0 BDADMP Cc1cnn(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000285341699 387261010 /nfs/dbraw/zinc/26/10/10/387261010.db2.gz CWXSEVWCPLONPD-UHFFFAOYSA-N 2 1 233.319 1.023 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423381200 387263427 /nfs/dbraw/zinc/26/34/27/387263427.db2.gz HUWISPHXPYPVFV-TUAOUCFPSA-N 2 1 228.380 1.778 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1-n1ccnn1 ZINC000423382658 387264866 /nfs/dbraw/zinc/26/48/66/387264866.db2.gz DQTWZBDNWAGSJJ-WDEREUQCSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@H](C)O1 ZINC000423382810 387265068 /nfs/dbraw/zinc/26/50/68/387265068.db2.gz ITSOFNSLHVDRDE-MROQNXINSA-N 2 1 240.391 1.920 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000423385737 387269346 /nfs/dbraw/zinc/26/93/46/387269346.db2.gz RAAKHCXBNZRJFH-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000423386095 387270466 /nfs/dbraw/zinc/27/04/66/387270466.db2.gz RDNCNVSLBZOZIN-XUXIUFHCSA-N 2 1 240.391 1.922 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423391033 387275987 /nfs/dbraw/zinc/27/59/87/387275987.db2.gz PAQPMOCZZHZPSW-RQJABVFESA-N 2 1 239.407 1.447 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000423391524 387277068 /nfs/dbraw/zinc/27/70/68/387277068.db2.gz WYKHBYHKWOGCIJ-GRYCIOLGSA-N 2 1 228.380 1.778 20 0 BDADMP Cc1cnc(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000336450810 387279718 /nfs/dbraw/zinc/27/97/18/387279718.db2.gz FBVDHRGTITZIRR-UHFFFAOYSA-N 2 1 209.293 1.154 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000423431498 387284725 /nfs/dbraw/zinc/28/47/25/387284725.db2.gz LPSLLVQNPSAYGV-AAVRWANBSA-N 3 1 241.423 1.822 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000423431498 387284729 /nfs/dbraw/zinc/28/47/29/387284729.db2.gz LPSLLVQNPSAYGV-AAVRWANBSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423447546 387296427 /nfs/dbraw/zinc/29/64/27/387296427.db2.gz ZVCULGLTHOOHBB-YWPYICTPSA-N 2 1 247.386 1.589 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H](C)O1 ZINC000459794382 387297078 /nfs/dbraw/zinc/29/70/78/387297078.db2.gz UOBFMHDCYBNBQL-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000353924382 387300093 /nfs/dbraw/zinc/30/00/93/387300093.db2.gz BWUAVFRLTQPOED-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000423450056 387300218 /nfs/dbraw/zinc/30/02/18/387300218.db2.gz HCIYYMJDEQVWHE-WOPDTQHZSA-N 2 1 213.369 1.234 20 0 BDADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423458354 387306319 /nfs/dbraw/zinc/30/63/19/387306319.db2.gz GSNUNOHRVSAPDS-RVMXOQNASA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423459012 387307069 /nfs/dbraw/zinc/30/70/69/387307069.db2.gz QWMVNVWTQLXZJA-SCRBCDKVSA-N 2 1 246.329 1.866 20 0 BDADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccncc1 ZINC000423459805 387309195 /nfs/dbraw/zinc/30/91/95/387309195.db2.gz IKAXYTNULFOKIK-UMNHJUIQSA-N 2 1 207.321 1.858 20 0 BDADMP C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)C[N@H+]1C1CC1 ZINC000423530347 387358682 /nfs/dbraw/zinc/35/86/82/387358682.db2.gz RCRZALNDGWIEDD-YPMHNXCESA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@H](C)[C@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000515300933 387360627 /nfs/dbraw/zinc/36/06/27/387360627.db2.gz XPMCUNXGGUPFDT-NRPADANISA-N 2 1 226.324 1.266 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1(C)C ZINC000423544427 387367541 /nfs/dbraw/zinc/36/75/41/387367541.db2.gz DANCANUIFGNDDE-FRRDWIJNSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccnn1C ZINC000423562513 387378194 /nfs/dbraw/zinc/37/81/94/387378194.db2.gz QNSDPANUAXIADK-JTQLQIEISA-N 2 1 222.336 1.213 20 0 BDADMP [NH3+][C@@H]1C[C@@H](NCC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392504 387381339 /nfs/dbraw/zinc/38/13/39/387381339.db2.gz UNFYBORIWVNHJB-HUUCEWRRSA-N 2 1 243.354 1.641 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000423476605 387324322 /nfs/dbraw/zinc/32/43/22/387324322.db2.gz JBSGCONMFAHRQJ-RDBSUJKOSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)CCN1C ZINC000423476605 387324327 /nfs/dbraw/zinc/32/43/27/387324327.db2.gz JBSGCONMFAHRQJ-RDBSUJKOSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1CSCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000575498020 387328609 /nfs/dbraw/zinc/32/86/09/387328609.db2.gz QVIZDYWEJOLJDQ-LPEHRKFASA-N 2 1 200.351 1.161 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423483714 387329812 /nfs/dbraw/zinc/32/98/12/387329812.db2.gz YXRWJZUIVUHWJQ-NDBYEHHHSA-N 3 1 225.380 1.092 20 0 BDADMP CC(C)CC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000360673953 387332443 /nfs/dbraw/zinc/33/24/43/387332443.db2.gz DIUIWCQCDXWVAU-CQSZACIVSA-N 2 1 242.407 1.810 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423484900 387332387 /nfs/dbraw/zinc/33/23/87/387332387.db2.gz RGQIDVOKKQEDET-MGPQQGTHSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423484900 387332389 /nfs/dbraw/zinc/33/23/89/387332389.db2.gz RGQIDVOKKQEDET-MGPQQGTHSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000354148595 387336657 /nfs/dbraw/zinc/33/66/57/387336657.db2.gz YBHYIDWGSXZZSM-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cn[nH]c1 ZINC000423498562 387340619 /nfs/dbraw/zinc/34/06/19/387340619.db2.gz IEYSPHDDVLELGL-BXKDBHETSA-N 2 1 222.336 1.578 20 0 BDADMP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423498742 387340982 /nfs/dbraw/zinc/34/09/82/387340982.db2.gz BYAOFMLVPVPVJY-VXGBXAGGSA-N 2 1 227.396 1.304 20 0 BDADMP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423502635 387343591 /nfs/dbraw/zinc/34/35/91/387343591.db2.gz FDZTZQGLBIJUQJ-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCC1 ZINC000423509816 387344553 /nfs/dbraw/zinc/34/45/53/387344553.db2.gz JJUFEMQIOWWJDR-UONOGXRCSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H]1CCCOC1 ZINC000423506669 387344608 /nfs/dbraw/zinc/34/46/08/387344608.db2.gz PETWMZFCNWURIX-YUTCNCBUSA-N 2 1 240.391 1.909 20 0 BDADMP COC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C(C)C ZINC000423508695 387346062 /nfs/dbraw/zinc/34/60/62/387346062.db2.gz JBGQURVGYMGNFX-STQMWFEESA-N 2 1 228.380 1.765 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)[C@H](C)O1 ZINC000423513952 387346921 /nfs/dbraw/zinc/34/69/21/387346921.db2.gz VXMJQPUQPHABGH-URBCHYCLSA-N 2 1 226.364 1.659 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)[C@@H](C)O1 ZINC000423513954 387348657 /nfs/dbraw/zinc/34/86/57/387348657.db2.gz VXMJQPUQPHABGH-VCDKRKBESA-N 2 1 226.364 1.659 20 0 BDADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cncs1 ZINC000423515522 387350419 /nfs/dbraw/zinc/35/04/19/387350419.db2.gz ADBRUBZDGPIRAR-SECBINFHSA-N 2 1 225.361 1.936 20 0 BDADMP COCC1([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000643470257 387445138 /nfs/dbraw/zinc/44/51/38/387445138.db2.gz KHRZTRYLSXQFDJ-CHWSQXEVSA-N 2 1 232.327 1.900 20 0 BDADMP CCOC(=O)C[N@@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000515516693 387385184 /nfs/dbraw/zinc/38/51/84/387385184.db2.gz GEWXBAUBVYNHDL-NEPJUHHUSA-N 2 1 242.363 1.260 20 0 BDADMP Cn1ncc2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc21 ZINC000515634236 387404571 /nfs/dbraw/zinc/40/45/71/387404571.db2.gz TVBQFEMSHJDSBF-STQMWFEESA-N 2 1 244.342 1.543 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000423773094 387421016 /nfs/dbraw/zinc/42/10/16/387421016.db2.gz MENMLIDISVVYHC-NSHDSACASA-N 2 1 243.395 1.208 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000516492317 387515914 /nfs/dbraw/zinc/51/59/14/387515914.db2.gz VXLPOGYIWURVII-UMSGYPCISA-N 3 1 225.380 1.234 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1COC(C)(C)C1 ZINC000396925138 387516390 /nfs/dbraw/zinc/51/63/90/387516390.db2.gz USFCZQXBWNNBAT-LLVKDONJSA-N 2 1 223.320 1.349 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471311 387479762 /nfs/dbraw/zinc/47/97/62/387479762.db2.gz QZSNHBWHQYFBBN-YWPUVAFDSA-N 2 1 226.364 1.125 20 0 BDADMP C[N@H+]1CC[C@H](NCC[NH2+]C2CC2)[C@H]2CCC[C@@H]21 ZINC000643507932 387481600 /nfs/dbraw/zinc/48/16/00/387481600.db2.gz WMGWQIIVMFTSTH-RDBSUJKOSA-N 2 1 237.391 1.201 20 0 BDADMP CCC[C@H](C)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000336691987 387581107 /nfs/dbraw/zinc/58/11/07/387581107.db2.gz HJFZVSAQRLUAMC-UONOGXRCSA-N 2 1 239.407 1.402 20 0 BDADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C1 ZINC000643511311 387593363 /nfs/dbraw/zinc/59/33/63/387593363.db2.gz ZKSFPAMQBWDDJS-FRRDWIJNSA-N 2 1 228.380 1.907 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422558188 387600862 /nfs/dbraw/zinc/60/08/62/387600862.db2.gz AIDVJPLDYUIYDZ-SCVCMEIPSA-N 2 1 236.363 1.523 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000422560105 387601014 /nfs/dbraw/zinc/60/10/14/387601014.db2.gz FQIGFLPUEXNZQH-RTXFEEFZSA-N 2 1 248.374 1.590 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000422560105 387601018 /nfs/dbraw/zinc/60/10/18/387601018.db2.gz FQIGFLPUEXNZQH-RTXFEEFZSA-N 2 1 248.374 1.590 20 0 BDADMP COc1c(O)cccc1C[NH2+]C(C)(C)CC[NH3+] ZINC000422561039 387601810 /nfs/dbraw/zinc/60/18/10/387601810.db2.gz IQKGNDPTQUJPLT-UHFFFAOYSA-N 2 1 238.331 1.618 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422702387 387617968 /nfs/dbraw/zinc/61/79/68/387617968.db2.gz DZFDJCBVUFUGPY-UHTWSYAYSA-N 2 1 228.380 1.514 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCC[C@H]1O ZINC000305636545 387620173 /nfs/dbraw/zinc/62/01/73/387620173.db2.gz ORZLZNOGZKVUTC-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCC[C@H]1O ZINC000305636545 387620177 /nfs/dbraw/zinc/62/01/77/387620177.db2.gz ORZLZNOGZKVUTC-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCC[C@H]1O ZINC000305636545 387620181 /nfs/dbraw/zinc/62/01/81/387620181.db2.gz ORZLZNOGZKVUTC-HZSPNIEDSA-N 2 1 240.391 1.564 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422707205 387620774 /nfs/dbraw/zinc/62/07/74/387620774.db2.gz GSTHYIVRRXRSJG-ZIAGYGMSSA-N 2 1 241.423 1.696 20 0 BDADMP CCCCN(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422707205 387620779 /nfs/dbraw/zinc/62/07/79/387620779.db2.gz GSTHYIVRRXRSJG-ZIAGYGMSSA-N 2 1 241.423 1.696 20 0 BDADMP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422708586 387623602 /nfs/dbraw/zinc/62/36/02/387623602.db2.gz JHRFNGJUFZOAID-USZNOCQGSA-N 2 1 214.353 1.124 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422711398 387626499 /nfs/dbraw/zinc/62/64/99/387626499.db2.gz NBAPKSXJPDGYKY-STQMWFEESA-N 2 1 227.396 1.448 20 0 BDADMP C[N@H+](C/C=C\c1ccncc1)C[C@@H]1CC[NH+](C)C1 ZINC000426168153 387546810 /nfs/dbraw/zinc/54/68/10/387546810.db2.gz XYVVEFSUGNBQHN-JZIMQPMSSA-N 2 1 245.370 1.978 20 0 BDADMP C[N@@H+](C/C=C\c1ccncc1)C[C@@H]1CC[NH+](C)C1 ZINC000426168153 387546813 /nfs/dbraw/zinc/54/68/13/387546813.db2.gz XYVVEFSUGNBQHN-JZIMQPMSSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C/C=C\c1ccncc1)C[C@@H]1CC[N@H+](C)C1 ZINC000426168153 387546815 /nfs/dbraw/zinc/54/68/15/387546815.db2.gz XYVVEFSUGNBQHN-JZIMQPMSSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C/C=C\c1ccncc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000426168153 387546817 /nfs/dbraw/zinc/54/68/17/387546817.db2.gz XYVVEFSUGNBQHN-JZIMQPMSSA-N 2 1 245.370 1.978 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000037893475 387568234 /nfs/dbraw/zinc/56/82/34/387568234.db2.gz ZATOUHJBVNDHQA-UKRRQHHQSA-N 2 1 248.370 1.576 20 0 BDADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422717106 387630224 /nfs/dbraw/zinc/63/02/24/387630224.db2.gz OGIVESAQWRURFA-AAEUAGOBSA-N 2 1 227.396 1.160 20 0 BDADMP CC[C@@H]([NH2+]C[C@H](O)[C@@H](C)CC)[C@@H]1CCC[NH2+]1 ZINC000422718269 387630355 /nfs/dbraw/zinc/63/03/55/387630355.db2.gz WVSWJMDQARLFSC-RNJOBUHISA-N 2 1 228.380 1.514 20 0 BDADMP CN(C)c1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422721621 387632470 /nfs/dbraw/zinc/63/24/70/387632470.db2.gz VVCFBPMYIRYRKJ-KGLIPLIRSA-N 2 1 233.359 1.722 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000422719503 387633881 /nfs/dbraw/zinc/63/38/81/387633881.db2.gz YHEVJRFIKYWPMB-MELADBBJSA-N 3 1 241.423 1.824 20 0 BDADMP CCCC[N@@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422719457 387633978 /nfs/dbraw/zinc/63/39/78/387633978.db2.gz YEIBNUNKEXZUFT-OLZOCXBDSA-N 2 1 227.396 1.306 20 0 BDADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)C1C[NH2+]C1 ZINC000422729321 387638368 /nfs/dbraw/zinc/63/83/68/387638368.db2.gz KKICXXWOTUECHC-TZMCWYRMSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000430699322 387640908 /nfs/dbraw/zinc/64/09/08/387640908.db2.gz YGRRZVCJEGBNPM-CRWXNKLISA-N 2 1 242.407 1.713 20 0 BDADMP C[C@H]([NH2+]CCc1ccccn1)c1c[nH+]ccc1N ZINC000422732075 387641350 /nfs/dbraw/zinc/64/13/50/387641350.db2.gz NHDOZUYUFGOHPU-NSHDSACASA-N 2 1 242.326 1.782 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000422738946 387646322 /nfs/dbraw/zinc/64/63/22/387646322.db2.gz KNGAQGYZGMZZHQ-JSGCOSHPSA-N 3 1 239.407 1.306 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000643518105 387649290 /nfs/dbraw/zinc/64/92/90/387649290.db2.gz FXWRUZRGDMGQTE-JTQLQIEISA-N 2 1 236.363 1.758 20 0 BDADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000422747407 387651274 /nfs/dbraw/zinc/65/12/74/387651274.db2.gz YMOKRHUWDOQSSO-KGLIPLIRSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000452000973 387695570 /nfs/dbraw/zinc/69/55/70/387695570.db2.gz CEHFBWDCABONTE-DGCLKSJQSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000452000973 387695574 /nfs/dbraw/zinc/69/55/74/387695574.db2.gz CEHFBWDCABONTE-DGCLKSJQSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC(C)(C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000452000973 387695582 /nfs/dbraw/zinc/69/55/82/387695582.db2.gz CEHFBWDCABONTE-DGCLKSJQSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H]1CCC(C)(C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000452000973 387695588 /nfs/dbraw/zinc/69/55/88/387695588.db2.gz CEHFBWDCABONTE-DGCLKSJQSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)OCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422760289 387663113 /nfs/dbraw/zinc/66/31/13/387663113.db2.gz LSTBEVCNVXFLBY-VXGBXAGGSA-N 2 1 214.353 1.389 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422768091 387668079 /nfs/dbraw/zinc/66/80/79/387668079.db2.gz UFHNMYGTEYLQBE-UTUOFQBUSA-N 2 1 228.380 1.514 20 0 BDADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000305947039 387668569 /nfs/dbraw/zinc/66/85/69/387668569.db2.gz GVJZDFHBGNTDQC-NEPJUHHUSA-N 2 1 240.391 1.874 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000126363266 387680654 /nfs/dbraw/zinc/68/06/54/387680654.db2.gz CZBKVARVXZXKDF-FZMZJTMJSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422791229 387692012 /nfs/dbraw/zinc/69/20/12/387692012.db2.gz YIDVWTFUPXJQLK-AVGNSLFASA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000422865696 387747234 /nfs/dbraw/zinc/74/72/34/387747234.db2.gz PIMPWJOENGWABA-FIQHERPVSA-N 2 1 225.380 1.327 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000422865696 387747238 /nfs/dbraw/zinc/74/72/38/387747238.db2.gz PIMPWJOENGWABA-FIQHERPVSA-N 2 1 225.380 1.327 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422878975 387754130 /nfs/dbraw/zinc/75/41/30/387754130.db2.gz LPEDEWGNDTXWPK-KBPBESRZSA-N 2 1 241.423 1.824 20 0 BDADMP Cc1csc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000422805775 387706020 /nfs/dbraw/zinc/70/60/20/387706020.db2.gz HKVPVQKIELYZIJ-SFYZADRCSA-N 2 1 213.350 1.667 20 0 BDADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422805833 387706200 /nfs/dbraw/zinc/70/62/00/387706200.db2.gz JSAXSVAEGGCZSQ-GJZGRUSLSA-N 3 1 247.386 1.718 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCCCCC1 ZINC000422812301 387711220 /nfs/dbraw/zinc/71/12/20/387711220.db2.gz WFLDMTJGCBCUQA-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127490753 387714381 /nfs/dbraw/zinc/71/43/81/387714381.db2.gz HQXKSUSEKWSSAB-MGPQQGTHSA-N 2 1 241.423 1.789 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422814673 387714882 /nfs/dbraw/zinc/71/48/82/387714882.db2.gz VWLMGXNAVRDEHA-CHWSQXEVSA-N 2 1 242.407 1.763 20 0 BDADMP Cc1nc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cs1 ZINC000422820311 387717252 /nfs/dbraw/zinc/71/72/52/387717252.db2.gz PWVUOEBCWPNLNT-SKDRFNHKSA-N 2 1 239.388 1.582 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000127568307 387717878 /nfs/dbraw/zinc/71/78/78/387717878.db2.gz YSQPBSRTIRMHFU-BFHYXJOUSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000527799835 387722235 /nfs/dbraw/zinc/72/22/35/387722235.db2.gz NMFJIAFPGQRDPN-OLZOCXBDSA-N 2 1 226.364 1.626 20 0 BDADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000367549892 387724082 /nfs/dbraw/zinc/72/40/82/387724082.db2.gz HPITZKCKVRGVRT-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367549892 387724086 /nfs/dbraw/zinc/72/40/86/387724086.db2.gz HPITZKCKVRGVRT-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367549892 387724089 /nfs/dbraw/zinc/72/40/89/387724089.db2.gz HPITZKCKVRGVRT-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422876213 387755735 /nfs/dbraw/zinc/75/57/35/387755735.db2.gz FHHXSCIQAKZTKP-CHWSQXEVSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000422852748 387736943 /nfs/dbraw/zinc/73/69/43/387736943.db2.gz BFANLPIPXZVKEX-XDQVBPFNSA-N 2 1 241.423 1.822 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCC[C@H](C)C1 ZINC000422852748 387736946 /nfs/dbraw/zinc/73/69/46/387736946.db2.gz BFANLPIPXZVKEX-XDQVBPFNSA-N 2 1 241.423 1.822 20 0 BDADMP COC(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000129152326 387764627 /nfs/dbraw/zinc/76/46/27/387764627.db2.gz XYZZUAAJQZOZGK-RYUDHWBXSA-N 2 1 242.363 1.021 20 0 BDADMP COC(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000129152326 387764629 /nfs/dbraw/zinc/76/46/29/387764629.db2.gz XYZZUAAJQZOZGK-RYUDHWBXSA-N 2 1 242.363 1.021 20 0 BDADMP COC(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000129152326 387764631 /nfs/dbraw/zinc/76/46/31/387764631.db2.gz XYZZUAAJQZOZGK-RYUDHWBXSA-N 2 1 242.363 1.021 20 0 BDADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422894484 387765048 /nfs/dbraw/zinc/76/50/48/387765048.db2.gz CKWBIUWQIOMPDW-FQUUOJAGSA-N 2 1 237.391 1.343 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422910128 387770113 /nfs/dbraw/zinc/77/01/13/387770113.db2.gz PVWLZNAGFHXQQP-SRVKXCTJSA-N 2 1 215.385 1.432 20 0 BDADMP C[C@@H](C[NH3+])CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000441617701 387772191 /nfs/dbraw/zinc/77/21/91/387772191.db2.gz YHVIONWGFTWSNQ-WCQYABFASA-N 2 1 249.358 1.000 20 0 BDADMP C[C@@H](C[NH3+])CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000441617696 387772996 /nfs/dbraw/zinc/77/29/96/387772996.db2.gz YHVIONWGFTWSNQ-AAEUAGOBSA-N 2 1 249.358 1.000 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-n2cncn2)cc1 ZINC000643529442 387777954 /nfs/dbraw/zinc/77/79/54/387777954.db2.gz ZZJAGMXFMQILTN-WDEREUQCSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000527945422 387780772 /nfs/dbraw/zinc/78/07/72/387780772.db2.gz RCMJDFMVJFTTNM-AAEUAGOBSA-N 2 1 208.349 1.882 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422934155 387782848 /nfs/dbraw/zinc/78/28/48/387782848.db2.gz FMXNORZHYJKXMZ-SDDRHHMPSA-N 2 1 222.336 1.002 20 0 BDADMP CS[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422935575 387783187 /nfs/dbraw/zinc/78/31/87/387783187.db2.gz KZXBFHIIYSRAGN-DCAQKATOSA-N 2 1 216.394 1.858 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000422947866 387785015 /nfs/dbraw/zinc/78/50/15/387785015.db2.gz QPPXJGAOHFOMIN-CHWSQXEVSA-N 2 1 238.306 1.674 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC(O)C2)[C@H](C)C1 ZINC000432422007 387788931 /nfs/dbraw/zinc/78/89/31/387788931.db2.gz RSIXNXWAEBBIJZ-BLYZHGLHSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432419012 387788969 /nfs/dbraw/zinc/78/89/69/387788969.db2.gz YGTPFZMCWGALMH-XPXVYLNCSA-N 2 1 240.391 1.466 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422977710 387790235 /nfs/dbraw/zinc/79/02/35/387790235.db2.gz XJIWVLMPDUTPRE-ZIAGYGMSSA-N 3 1 241.423 1.825 20 0 BDADMP CC[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422979893 387790915 /nfs/dbraw/zinc/79/09/15/387790915.db2.gz NUYNRRZHETVVHQ-GRYCIOLGSA-N 2 1 214.353 1.268 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC23CC(C2)CO3)[C@@H](C)C1 ZINC000527978965 387796614 /nfs/dbraw/zinc/79/66/14/387796614.db2.gz LZQYCCIRVAFWSA-AHPWVWPOSA-N 2 1 238.375 1.485 20 0 BDADMP COCCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422990686 387800851 /nfs/dbraw/zinc/80/08/51/387800851.db2.gz OIZMFMNTSYSLMY-NSHDSACASA-N 2 1 249.358 1.961 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000527975284 387813299 /nfs/dbraw/zinc/81/32/99/387813299.db2.gz UAWZIGMUIPGTIQ-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527975284 387813302 /nfs/dbraw/zinc/81/33/02/387813302.db2.gz UAWZIGMUIPGTIQ-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP COc1cccnc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000527989486 387803889 /nfs/dbraw/zinc/80/38/89/387803889.db2.gz YKIKGUQHKWGDJS-PHIMTYICSA-N 2 1 233.315 1.088 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528002902 387807135 /nfs/dbraw/zinc/80/71/35/387807135.db2.gz MVWGJMDZFAIPHQ-BUCHIQEDSA-N 2 1 240.391 1.871 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528002902 387807141 /nfs/dbraw/zinc/80/71/41/387807141.db2.gz MVWGJMDZFAIPHQ-BUCHIQEDSA-N 2 1 240.391 1.871 20 0 BDADMP COC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422954069 387809587 /nfs/dbraw/zinc/80/95/87/387809587.db2.gz HFNUZQZOPYRISO-FZMZJTMJSA-N 2 1 234.343 1.572 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCNc2ccccc21 ZINC000643526593 387757346 /nfs/dbraw/zinc/75/73/46/387757346.db2.gz BYEHJVVADQCHFQ-GWCFXTLKSA-N 2 1 219.332 1.870 20 0 BDADMP CC[N@H+](CC[NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000422885910 387759901 /nfs/dbraw/zinc/75/99/01/387759901.db2.gz ZLBPVJFTLLJMNT-GFCCVEGCSA-N 3 1 215.385 1.434 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000422885910 387759907 /nfs/dbraw/zinc/75/99/07/387759907.db2.gz ZLBPVJFTLLJMNT-GFCCVEGCSA-N 3 1 215.385 1.434 20 0 BDADMP COCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000422889245 387761119 /nfs/dbraw/zinc/76/11/19/387761119.db2.gz PDIAXSJZLLOEOP-QWHCGFSZSA-N 2 1 240.391 1.781 20 0 BDADMP Cc1noc(C)c1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422885288 387761532 /nfs/dbraw/zinc/76/15/32/387761532.db2.gz GTFJNNTYDSMCTA-MFKMUULPSA-N 2 1 237.347 1.564 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422975082 387823975 /nfs/dbraw/zinc/82/39/75/387823975.db2.gz SHROYWZXLZCQRG-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CCC(O)(CC)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422974635 387824409 /nfs/dbraw/zinc/82/44/09/387824409.db2.gz RKGCYAJOOLPLPY-GHMZBOCLSA-N 2 1 214.353 1.125 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCC1CCCCC1 ZINC000564095307 387826646 /nfs/dbraw/zinc/82/66/46/387826646.db2.gz ZSIXVOSOBONAEY-CQSZACIVSA-N 2 1 242.407 1.859 20 0 BDADMP CCC[C@H](CCO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423007522 387828080 /nfs/dbraw/zinc/82/80/80/387828080.db2.gz QUBBOKFUKCPODU-XQQFMLRXSA-N 2 1 228.380 1.373 20 0 BDADMP Cc1cnccc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423014831 387837883 /nfs/dbraw/zinc/83/78/83/387837883.db2.gz PSIXYDUCHIMUAX-BXUZGUMPSA-N 2 1 233.359 1.520 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423014396 387837957 /nfs/dbraw/zinc/83/79/57/387837957.db2.gz IIRNMYWAURMSNZ-QCNOEVLYSA-N 2 1 212.337 1.142 20 0 BDADMP CC[C@H](NCC1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019112 387841606 /nfs/dbraw/zinc/84/16/06/387841606.db2.gz UAKWZUZJHYCFJJ-KBPBESRZSA-N 2 1 237.391 1.369 20 0 BDADMP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019112 387841610 /nfs/dbraw/zinc/84/16/10/387841610.db2.gz UAKWZUZJHYCFJJ-KBPBESRZSA-N 3 1 237.391 1.369 20 0 BDADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019112 387841612 /nfs/dbraw/zinc/84/16/12/387841612.db2.gz UAKWZUZJHYCFJJ-KBPBESRZSA-N 3 1 237.391 1.369 20 0 BDADMP C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+]CC2)CCC[N@@H+]1C ZINC000423025937 387843120 /nfs/dbraw/zinc/84/31/20/387843120.db2.gz AGUUNOARTQFGNU-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+]CC2)CCC[N@H+]1C ZINC000423025937 387843124 /nfs/dbraw/zinc/84/31/24/387843124.db2.gz AGUUNOARTQFGNU-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000423026577 387844363 /nfs/dbraw/zinc/84/43/63/387844363.db2.gz BPJKKIBBIIBZFM-WOPDTQHZSA-N 2 1 228.405 1.860 20 0 BDADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1C ZINC000423034158 387848583 /nfs/dbraw/zinc/84/85/83/387848583.db2.gz PMIFKRZYGLBJDQ-MWWBDVBNSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1C ZINC000423034158 387848589 /nfs/dbraw/zinc/84/85/89/387848589.db2.gz PMIFKRZYGLBJDQ-MWWBDVBNSA-N 2 1 237.391 1.342 20 0 BDADMP CC1=CC[N@H+](CCN[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000423032180 387849187 /nfs/dbraw/zinc/84/91/87/387849187.db2.gz DZXWABZCQJUVST-UONOGXRCSA-N 2 1 237.391 1.226 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000423032180 387849188 /nfs/dbraw/zinc/84/91/88/387849188.db2.gz DZXWABZCQJUVST-UONOGXRCSA-N 2 1 237.391 1.226 20 0 BDADMP CC1=CC[N@H+](CCN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423039276 387853629 /nfs/dbraw/zinc/85/36/29/387853629.db2.gz QAKLMLZJFXKBAP-STQMWFEESA-N 2 1 225.380 1.354 20 0 BDADMP CC1=CC[N@@H+](CCN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423039276 387853633 /nfs/dbraw/zinc/85/36/33/387853633.db2.gz QAKLMLZJFXKBAP-STQMWFEESA-N 2 1 225.380 1.354 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000423040521 387853804 /nfs/dbraw/zinc/85/38/04/387853804.db2.gz UKRFGFNMIOFQCC-MGPQQGTHSA-N 2 1 240.391 1.923 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000235792332 387858787 /nfs/dbraw/zinc/85/87/87/387858787.db2.gz CBTMZVCGBROSMO-CHWSQXEVSA-N 2 1 235.331 1.349 20 0 BDADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccncc1 ZINC000643460247 387874415 /nfs/dbraw/zinc/87/44/15/387874415.db2.gz DPRHCOLCIRYMCX-YRGRVCCFSA-N 2 1 233.359 1.773 20 0 BDADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423059570 387866013 /nfs/dbraw/zinc/86/60/13/387866013.db2.gz FVTLSHNTHOKAJQ-BJDJZHNGSA-N 2 1 212.337 1.020 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000422965448 387815927 /nfs/dbraw/zinc/81/59/27/387815927.db2.gz ORIYRCUCFFKJEW-STQMWFEESA-N 2 1 238.306 1.287 20 0 BDADMP CC[NH+](CC)CC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442661009 387816101 /nfs/dbraw/zinc/81/61/01/387816101.db2.gz FAEKGCHTJOPBGR-LBPRGKRZSA-N 3 1 227.396 1.387 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000442663169 387816315 /nfs/dbraw/zinc/81/63/15/387816315.db2.gz IZGKWEQLWLYUMH-HIFRSBDPSA-N 2 1 247.386 1.934 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000442663169 387816318 /nfs/dbraw/zinc/81/63/18/387816318.db2.gz IZGKWEQLWLYUMH-HIFRSBDPSA-N 2 1 247.386 1.934 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422968405 387818220 /nfs/dbraw/zinc/81/82/20/387818220.db2.gz WTDUYZNFDNKONJ-KGLIPLIRSA-N 2 1 241.423 1.694 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422968405 387818224 /nfs/dbraw/zinc/81/82/24/387818224.db2.gz WTDUYZNFDNKONJ-KGLIPLIRSA-N 3 1 241.423 1.694 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422968405 387818225 /nfs/dbraw/zinc/81/82/25/387818225.db2.gz WTDUYZNFDNKONJ-KGLIPLIRSA-N 3 1 241.423 1.694 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C)[NH3+])C[C@@H]1C ZINC000442666651 387818783 /nfs/dbraw/zinc/81/87/83/387818783.db2.gz VWGNDIYRABCNMW-SRVKXCTJSA-N 2 1 213.369 1.138 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423103224 387889508 /nfs/dbraw/zinc/88/95/08/387889508.db2.gz FZLRKYXQPCSKBE-KBPBESRZSA-N 3 1 241.423 1.968 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423103224 387889512 /nfs/dbraw/zinc/88/95/12/387889512.db2.gz FZLRKYXQPCSKBE-KBPBESRZSA-N 3 1 241.423 1.968 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[C@H]1C)c1c[nH+]ccc1N ZINC000423110058 387894091 /nfs/dbraw/zinc/89/40/91/387894091.db2.gz OQXFGZBKZOCAKM-PTRXPTGYSA-N 2 1 205.305 1.943 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423116114 387898038 /nfs/dbraw/zinc/89/80/38/387898038.db2.gz ZPJMGJAPMFLHLB-HZSPNIEDSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccncc1 ZINC000643460246 387874943 /nfs/dbraw/zinc/87/49/43/387874943.db2.gz DPRHCOLCIRYMCX-SCRDCRAPSA-N 2 1 233.359 1.773 20 0 BDADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000423081954 387878207 /nfs/dbraw/zinc/87/82/07/387878207.db2.gz CFRRLNAFBNSFNA-NNYUYHANSA-N 2 1 240.347 1.058 20 0 BDADMP Cc1csc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000643460721 387885877 /nfs/dbraw/zinc/88/58/77/387885877.db2.gz MGXLGFNQTHJDDR-GXSJLCMTSA-N 2 1 239.388 1.582 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](CO)C1CC1)c1c[nH+]ccc1N ZINC000423140316 387918179 /nfs/dbraw/zinc/91/81/79/387918179.db2.gz MJQAUSPJZSKZKS-KOLCDFICSA-N 2 1 235.331 1.163 20 0 BDADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423140279 387918467 /nfs/dbraw/zinc/91/84/67/387918467.db2.gz MFLANNUNQYODGV-LMLFDSFASA-N 2 1 200.326 1.140 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423119461 387900468 /nfs/dbraw/zinc/90/04/68/387900468.db2.gz CKLIUTQPKVLITO-UTUOFQBUSA-N 2 1 215.385 1.431 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423118621 387900736 /nfs/dbraw/zinc/90/07/36/387900736.db2.gz BNNPYTOKFXXWHU-QWRGUYRKSA-N 2 1 214.328 1.856 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000423120284 387901696 /nfs/dbraw/zinc/90/16/96/387901696.db2.gz GRQDVQFSFGNJHN-YTWAJWBKSA-N 2 1 200.301 1.465 20 0 BDADMP CN(C)c1cccnc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423130799 387906550 /nfs/dbraw/zinc/90/65/50/387906550.db2.gz ZDVXXGSDMJEHOO-NEPJUHHUSA-N 2 1 248.374 1.365 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423129420 387906953 /nfs/dbraw/zinc/90/69/53/387906953.db2.gz XAHBDMJPFGQXQI-BFHYXJOUSA-N 2 1 241.423 1.837 20 0 BDADMP CCCC[N@@H+](C)C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423130712 387908252 /nfs/dbraw/zinc/90/82/52/387908252.db2.gz YRSJHVGCJQBQLX-UPJWGTAASA-N 2 1 229.412 1.822 20 0 BDADMP CCCCN(C)C[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423130712 387908255 /nfs/dbraw/zinc/90/82/55/387908255.db2.gz YRSJHVGCJQBQLX-UPJWGTAASA-N 2 1 229.412 1.822 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCC[C@H]1[NH3+] ZINC000423144671 387919490 /nfs/dbraw/zinc/91/94/90/387919490.db2.gz ZJDCDAMNVSYKNE-XQQFMLRXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423133485 387910897 /nfs/dbraw/zinc/91/08/97/387910897.db2.gz KTKZAMLWTGQAJQ-WUHRBBMRSA-N 2 1 244.354 1.481 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000392198426 387935497 /nfs/dbraw/zinc/93/54/97/387935497.db2.gz WDDSFRVVPTVEEY-KGLIPLIRSA-N 3 1 237.391 1.355 20 0 BDADMP F[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423144243 387921598 /nfs/dbraw/zinc/92/15/98/387921598.db2.gz GNHDCNOKJYLFBE-JQYRIEHKSA-N 2 1 212.312 1.750 20 0 BDADMP CCCc1ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])o1 ZINC000423151731 387929162 /nfs/dbraw/zinc/92/91/62/387929162.db2.gz DOHIEXBFFPGCLU-VHSXEESVSA-N 2 1 225.336 1.843 20 0 BDADMP Cc1nc(NCC2([NH+](C)C)CCC2)c(C)c(C)[nH+]1 ZINC000445607862 387952623 /nfs/dbraw/zinc/95/26/23/387952623.db2.gz KSGDJCYZFZMUMU-UHFFFAOYSA-N 2 1 248.374 1.720 20 0 BDADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)C1(O)CCCC1 ZINC000423158216 387938358 /nfs/dbraw/zinc/93/83/58/387938358.db2.gz CKIZAQMXUWNKRK-LLVKDONJSA-N 2 1 226.364 1.269 20 0 BDADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423160505 387940791 /nfs/dbraw/zinc/94/07/91/387940791.db2.gz HPCKHZHLHUCBTL-UMSGYPCISA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]1CCNC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423160454 387941767 /nfs/dbraw/zinc/94/17/67/387941767.db2.gz HITONEYTTRXRIY-GXTWGEPZSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423160454 387941774 /nfs/dbraw/zinc/94/17/74/387941774.db2.gz HITONEYTTRXRIY-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423160454 387941780 /nfs/dbraw/zinc/94/17/80/387941780.db2.gz HITONEYTTRXRIY-GXTWGEPZSA-N 3 1 239.407 1.448 20 0 BDADMP CCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)COC1 ZINC000423161653 387943225 /nfs/dbraw/zinc/94/32/25/387943225.db2.gz NYKBXEYBBBKEKD-MNOVXSKESA-N 2 1 212.337 1.001 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423162356 387943673 /nfs/dbraw/zinc/94/36/73/387943673.db2.gz KSMXLBTUQQIHLS-BQUFFADESA-N 2 1 208.349 1.620 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@H]1CCCC[NH2+]1 ZINC000423171011 387956269 /nfs/dbraw/zinc/95/62/69/387956269.db2.gz ZILNMUVDQFXNQX-MROQNXINSA-N 2 1 226.364 1.674 20 0 BDADMP CCOCCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297409 387958427 /nfs/dbraw/zinc/95/84/27/387958427.db2.gz SNYMTQOHLZSCLQ-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000423171332 387956806 /nfs/dbraw/zinc/95/68/06/387956806.db2.gz ZVABEJWSWUQHHJ-QWHCGFSZSA-N 2 1 239.407 1.448 20 0 BDADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC[NH3+] ZINC000423188769 387973195 /nfs/dbraw/zinc/97/31/95/387973195.db2.gz QHOPYBXLRGOQMR-ZYHUDNBSSA-N 2 1 208.305 1.311 20 0 BDADMP Cc1cccc(C[C@@H]([NH2+]CC[NH3+])C2CC2)c1 ZINC000423192016 387978171 /nfs/dbraw/zinc/97/81/71/387978171.db2.gz VAOWYWXTSUYJOQ-CQSZACIVSA-N 2 1 218.344 1.864 20 0 BDADMP CCCCO[C@@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C ZINC000423191999 387978299 /nfs/dbraw/zinc/97/82/99/387978299.db2.gz UZDWNJPHHNVZJI-GHMZBOCLSA-N 2 1 214.353 1.519 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000423198244 387984560 /nfs/dbraw/zinc/98/45/60/387984560.db2.gz DVISBQDQPKCNQN-LLVKDONJSA-N 2 1 207.321 1.650 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnccc1C ZINC000423198987 387986508 /nfs/dbraw/zinc/98/65/08/387986508.db2.gz IZJMXYDTWWJYBR-NSHDSACASA-N 2 1 207.321 1.650 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424373581 387997776 /nfs/dbraw/zinc/99/77/76/387997776.db2.gz JTFSDXAQQHUTNC-UMSGYPCISA-N 2 1 225.380 1.186 20 0 BDADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424373581 387997782 /nfs/dbraw/zinc/99/77/82/387997782.db2.gz JTFSDXAQQHUTNC-UMSGYPCISA-N 2 1 225.380 1.186 20 0 BDADMP COCCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406771 387999994 /nfs/dbraw/zinc/99/99/94/387999994.db2.gz NZAONISLAMLHRK-OLZOCXBDSA-N 2 1 228.380 1.720 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246061450 388006021 /nfs/dbraw/zinc/00/60/21/388006021.db2.gz ZEQLVQKLKQDWLQ-MROQNXINSA-N 2 1 238.375 1.362 20 0 BDADMP C[NH2+]CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000423224598 388006459 /nfs/dbraw/zinc/00/64/59/388006459.db2.gz JLEVYOWHYDYSTG-OAHLLOKOSA-N 2 1 248.370 1.825 20 0 BDADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423225281 388008089 /nfs/dbraw/zinc/00/80/89/388008089.db2.gz MBHVUGDSAHSBBK-LOWDOPEQSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423225281 388008094 /nfs/dbraw/zinc/00/80/94/388008094.db2.gz MBHVUGDSAHSBBK-LOWDOPEQSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423225281 388008097 /nfs/dbraw/zinc/00/80/97/388008097.db2.gz MBHVUGDSAHSBBK-LOWDOPEQSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423226565 388008739 /nfs/dbraw/zinc/00/87/39/388008739.db2.gz REHKSGPCAMNLLM-XDQVBPFNSA-N 3 1 239.407 1.624 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423230211 388015122 /nfs/dbraw/zinc/01/51/22/388015122.db2.gz CYLGHOJHGBUGQM-VXGBXAGGSA-N 2 1 214.353 1.391 20 0 BDADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423237802 388021199 /nfs/dbraw/zinc/02/11/99/388021199.db2.gz DVQQKYADCGLPBC-QWRGUYRKSA-N 2 1 202.317 1.714 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000423249847 388032040 /nfs/dbraw/zinc/03/20/40/388032040.db2.gz SOKKUEOFNYBSAY-VXGBXAGGSA-N 2 1 214.353 1.391 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000423252133 388033303 /nfs/dbraw/zinc/03/33/03/388033303.db2.gz XCYVIOBVXHXCCP-NSHDSACASA-N 2 1 242.363 1.307 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000423255113 388036673 /nfs/dbraw/zinc/03/66/73/388036673.db2.gz AUOQVPMLUWKPOI-MCIONIFRSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCN1C ZINC000423255113 388036677 /nfs/dbraw/zinc/03/66/77/388036677.db2.gz AUOQVPMLUWKPOI-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cn[nH]c1 ZINC000423260360 388038124 /nfs/dbraw/zinc/03/81/24/388038124.db2.gz HDIRWDAHXODXFZ-MFKMUULPSA-N 2 1 236.363 1.968 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000423261509 388040371 /nfs/dbraw/zinc/04/03/71/388040371.db2.gz JYYLDKGVDRKGBN-JXQTWKCFSA-N 2 1 240.391 1.787 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCO[C@H](C)C1 ZINC000423261776 388040772 /nfs/dbraw/zinc/04/07/72/388040772.db2.gz KUZFCJNYULPPQG-GRYCIOLGSA-N 2 1 214.353 1.517 20 0 BDADMP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000423262884 388040957 /nfs/dbraw/zinc/04/09/57/388040957.db2.gz NPWWXQQTTWOGQB-BFHYXJOUSA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@H](NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423249984 388031717 /nfs/dbraw/zinc/03/17/17/388031717.db2.gz PSJAAYMBUCKVGE-AGIUHOORSA-N 2 1 225.380 1.106 20 0 BDADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423273877 388053600 /nfs/dbraw/zinc/05/36/00/388053600.db2.gz LBFMCVAVJZCHRW-REWJHTLYSA-N 2 1 239.407 1.432 20 0 BDADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccncc1 ZINC000423275881 388056207 /nfs/dbraw/zinc/05/62/07/388056207.db2.gz MFRKBJUDICDRFZ-SKDRFNHKSA-N 2 1 205.305 1.470 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c1cnn2C ZINC000423277747 388058978 /nfs/dbraw/zinc/05/89/78/388058978.db2.gz QCADIRYBFFIOEH-RYUDHWBXSA-N 2 1 236.363 1.370 20 0 BDADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCSCC1 ZINC000423283370 388065136 /nfs/dbraw/zinc/06/51/36/388065136.db2.gz VWCRKVMWEZEWIH-BXKDBHETSA-N 2 1 228.405 1.845 20 0 BDADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000423283105 388065927 /nfs/dbraw/zinc/06/59/27/388065927.db2.gz XDLKNMKIXXODOT-RYUDHWBXSA-N 2 1 221.348 1.896 20 0 BDADMP CC(C)([NH3+])C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423287151 388071558 /nfs/dbraw/zinc/07/15/58/388071558.db2.gz KPOMZLOXFZGZDR-GFCCVEGCSA-N 2 1 237.322 1.999 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000423296963 388078369 /nfs/dbraw/zinc/07/83/69/388078369.db2.gz ICOJFBMLOXDIKI-IGQOVBAYSA-N 2 1 241.423 1.822 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000423297958 388080114 /nfs/dbraw/zinc/08/01/14/388080114.db2.gz MNZTUHFRTUXDCD-XQQFMLRXSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000423297443 388080128 /nfs/dbraw/zinc/08/01/28/388080128.db2.gz KHABEBVMUFKHLK-MNOVXSKESA-N 2 1 246.358 1.819 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](C)OC ZINC000423298332 388080184 /nfs/dbraw/zinc/08/01/84/388080184.db2.gz OCCOFGMYWXOACU-GARJFASQSA-N 2 1 202.342 1.517 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000085381139 388086136 /nfs/dbraw/zinc/08/61/36/388086136.db2.gz LTJRMXVYZKUHRN-STQMWFEESA-N 2 1 240.391 1.874 20 0 BDADMP CN(C)c1nc(NCC(C)(C)[NH+](C)C)cc[nH+]1 ZINC000085431534 388087982 /nfs/dbraw/zinc/08/79/82/388087982.db2.gz MIBDKVQRKPHBCP-UHFFFAOYSA-N 2 1 237.351 1.295 20 0 BDADMP Cn1cccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453603311 388090646 /nfs/dbraw/zinc/09/06/46/388090646.db2.gz XHNCJPQNFJLTCA-UHFFFAOYSA-N 2 1 235.375 1.989 20 0 BDADMP CCC(CC)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085789852 388096321 /nfs/dbraw/zinc/09/63/21/388096321.db2.gz QSSIMDCYRRHLBK-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP CCC(CC)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085789852 388096324 /nfs/dbraw/zinc/09/63/24/388096324.db2.gz QSSIMDCYRRHLBK-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)(C)[C@@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000447842210 388096773 /nfs/dbraw/zinc/09/67/73/388096773.db2.gz ASMQIXZESKWVPQ-LBPRGKRZSA-N 2 1 237.347 1.630 20 0 BDADMP CC(C)(C)[C@@H]1CN(CCn2ccnc2)CCO1 ZINC000447842210 388096776 /nfs/dbraw/zinc/09/67/76/388096776.db2.gz ASMQIXZESKWVPQ-LBPRGKRZSA-N 2 1 237.347 1.630 20 0 BDADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423268127 388048160 /nfs/dbraw/zinc/04/81/60/388048160.db2.gz GBSBTFYVQLHLBL-FZMZJTMJSA-N 2 1 236.359 1.813 20 0 BDADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449244546 388161920 /nfs/dbraw/zinc/16/19/20/388161920.db2.gz UASUCACZAREKRE-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449244546 388161922 /nfs/dbraw/zinc/16/19/22/388161922.db2.gz UASUCACZAREKRE-YPMHNXCESA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H](CF)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000646215190 388166141 /nfs/dbraw/zinc/16/61/41/388166141.db2.gz JWHTUYWVFHYVCL-DCAQKATOSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H](CF)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000646215190 388166143 /nfs/dbraw/zinc/16/61/43/388166143.db2.gz JWHTUYWVFHYVCL-DCAQKATOSA-N 2 1 200.301 1.561 20 0 BDADMP COCC[NH+]1CCC([NH2+]C2CC(C)(F)C2)CC1 ZINC000449370963 388184157 /nfs/dbraw/zinc/18/41/57/388184157.db2.gz OSPKXTBSOGJTQZ-UHFFFAOYSA-N 2 1 244.354 1.577 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000449107282 388144130 /nfs/dbraw/zinc/14/41/30/388144130.db2.gz OWTWBERIVRUNLH-IGQOVBAYSA-N 2 1 240.391 1.874 20 0 BDADMP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+](CC)CCC ZINC000449142051 388147484 /nfs/dbraw/zinc/14/74/84/388147484.db2.gz MWLPUMDHTXHIMC-LBPRGKRZSA-N 2 1 243.395 1.223 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000488750522 388193889 /nfs/dbraw/zinc/19/38/89/388193889.db2.gz UMCUWDLYZCPCGF-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)O)CC1 ZINC000164565039 388240297 /nfs/dbraw/zinc/24/02/97/388240297.db2.gz YPXLGLUBVXMZIN-GHMZBOCLSA-N 2 1 214.353 1.220 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCCn2ccnc2)C[C@H]1C ZINC000451565755 388282249 /nfs/dbraw/zinc/28/22/49/388282249.db2.gz LVHVXQWKNIEOMM-CHWSQXEVSA-N 2 1 237.347 1.630 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000451813591 388298007 /nfs/dbraw/zinc/29/80/07/388298007.db2.gz RGAJWKZKVPSARJ-RYUDHWBXSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000300036962 388346299 /nfs/dbraw/zinc/34/62/99/388346299.db2.gz FFSLGYPJOGVHIF-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000300036962 388346303 /nfs/dbraw/zinc/34/63/03/388346303.db2.gz FFSLGYPJOGVHIF-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH3+])C1(C)C ZINC000233749299 388348683 /nfs/dbraw/zinc/34/86/83/388348683.db2.gz JUEMYVUTQZZUES-IVZWLZJFSA-N 2 1 200.326 1.127 20 0 BDADMP CO[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000234807538 388360782 /nfs/dbraw/zinc/36/07/82/388360782.db2.gz ZVGPINTUKXLBDV-QWRGUYRKSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000234807538 388360785 /nfs/dbraw/zinc/36/07/85/388360785.db2.gz ZVGPINTUKXLBDV-QWRGUYRKSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000234871225 388362400 /nfs/dbraw/zinc/36/24/00/388362400.db2.gz GTXOWTFNCRTIRZ-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccn2)C1 ZINC000235440191 388369542 /nfs/dbraw/zinc/36/95/42/388369542.db2.gz QJAINDGYJIDNFX-LBPRGKRZSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccn2)C1 ZINC000235440191 388369543 /nfs/dbraw/zinc/36/95/43/388369543.db2.gz QJAINDGYJIDNFX-LBPRGKRZSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccncc2)C1 ZINC000235440277 388369750 /nfs/dbraw/zinc/36/97/50/388369750.db2.gz JVJHGXUDFRTGCI-LBPRGKRZSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccncc2)C1 ZINC000235440277 388369753 /nfs/dbraw/zinc/36/97/53/388369753.db2.gz JVJHGXUDFRTGCI-LBPRGKRZSA-N 2 1 205.305 1.252 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000235533203 388371577 /nfs/dbraw/zinc/37/15/77/388371577.db2.gz YIANNWQKFAQFMH-CMPLNLGQSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316055815 388406058 /nfs/dbraw/zinc/40/60/58/388406058.db2.gz XUQXSFVZNQZEDY-OXHZDVMGSA-N 2 1 240.391 1.466 20 0 BDADMP Cc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cnn1C ZINC000335268096 388449305 /nfs/dbraw/zinc/44/93/05/388449305.db2.gz ARGWFTDOWRTJLB-BETUJISGSA-N 2 1 248.374 1.160 20 0 BDADMP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000394050938 388449842 /nfs/dbraw/zinc/44/98/42/388449842.db2.gz NLHPOXSRGMCTCA-LBPRGKRZSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000397352822 388463670 /nfs/dbraw/zinc/46/36/70/388463670.db2.gz DCRHRIXNHKQUBQ-FRRDWIJNSA-N 2 1 236.363 1.188 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)on1 ZINC000397478434 388472786 /nfs/dbraw/zinc/47/27/86/388472786.db2.gz JNSJCBDYSFGNIW-DLOVCJGASA-N 2 1 237.347 1.788 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)on1 ZINC000397478434 388472788 /nfs/dbraw/zinc/47/27/88/388472788.db2.gz JNSJCBDYSFGNIW-DLOVCJGASA-N 2 1 237.347 1.788 20 0 BDADMP CC(C)[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337587934 388473413 /nfs/dbraw/zinc/47/34/13/388473413.db2.gz GIKDTVDSBLYNKE-CYBMUJFWSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCC2)CC[N@H+]1C ZINC000316335377 388410357 /nfs/dbraw/zinc/41/03/57/388410357.db2.gz GWFZXTGRIIWQPO-WXHSDQCUSA-N 2 1 226.364 1.220 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000573213039 388432906 /nfs/dbraw/zinc/43/29/06/388432906.db2.gz TVNYUCQZQVWYAC-KGLIPLIRSA-N 2 1 242.407 1.715 20 0 BDADMP C[C@@H](O)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921679 388541560 /nfs/dbraw/zinc/54/15/60/388541560.db2.gz KCPMUAHSLYFXKH-HABKJSAYSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H](O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921679 388541562 /nfs/dbraw/zinc/54/15/62/388541562.db2.gz KCPMUAHSLYFXKH-HABKJSAYSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@@H](O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921679 388541564 /nfs/dbraw/zinc/54/15/64/388541564.db2.gz KCPMUAHSLYFXKH-HABKJSAYSA-N 2 1 240.391 1.704 20 0 BDADMP CO[C@H](C[NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000339526249 388485600 /nfs/dbraw/zinc/48/56/00/388485600.db2.gz AXAKKRVONKJEAP-GFCCVEGCSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000397724089 388494732 /nfs/dbraw/zinc/49/47/32/388494732.db2.gz XXOSNBVGRPHJDE-RYUDHWBXSA-N 2 1 226.364 1.412 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348257872 388527586 /nfs/dbraw/zinc/52/75/86/388527586.db2.gz TZCBCYMSDIAWRP-MELADBBJSA-N 2 1 240.391 1.467 20 0 BDADMP Cc1nnc(CN(C)CCCn2cc[nH+]c2C)o1 ZINC000136297497 388529243 /nfs/dbraw/zinc/52/92/43/388529243.db2.gz XDFUEISVSQWGBD-UHFFFAOYSA-N 2 1 249.318 1.405 20 0 BDADMP CCc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000649304868 388589125 /nfs/dbraw/zinc/58/91/25/388589125.db2.gz ZTVKRPCLCMCKKP-RISCZKNCSA-N 2 1 249.358 1.197 20 0 BDADMP CCc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000649304868 388589126 /nfs/dbraw/zinc/58/91/26/388589126.db2.gz ZTVKRPCLCMCKKP-RISCZKNCSA-N 2 1 249.358 1.197 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000379267360 388602310 /nfs/dbraw/zinc/60/23/10/388602310.db2.gz SFLDWRXJLBISDE-DGCLKSJQSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000550826391 388615645 /nfs/dbraw/zinc/61/56/45/388615645.db2.gz DQBDBWFJJDFKIT-CYBMUJFWSA-N 2 1 248.374 1.605 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000550826391 388615646 /nfs/dbraw/zinc/61/56/46/388615646.db2.gz DQBDBWFJJDFKIT-CYBMUJFWSA-N 2 1 248.374 1.605 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328158937 388558720 /nfs/dbraw/zinc/55/87/20/388558720.db2.gz GTPSXPFKWPUOHR-IHRRRGAJSA-N 2 1 240.391 1.598 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000137438235 388560961 /nfs/dbraw/zinc/56/09/61/388560961.db2.gz UCEJQZSSGDBJCG-CHWSQXEVSA-N 2 1 248.374 1.346 20 0 BDADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000521226016 388565955 /nfs/dbraw/zinc/56/59/55/388565955.db2.gz ZKVDCKARTFLXRA-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528760266 388568559 /nfs/dbraw/zinc/56/85/59/388568559.db2.gz JQUXOCJUTOXDDJ-DCQANWLSSA-N 2 1 237.347 1.593 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)O ZINC000386746324 388576415 /nfs/dbraw/zinc/57/64/15/388576415.db2.gz ZSFOMIYYINSYGX-QCNOEVLYSA-N 2 1 214.353 1.218 20 0 BDADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)O ZINC000386746324 388576417 /nfs/dbraw/zinc/57/64/17/388576417.db2.gz ZSFOMIYYINSYGX-QCNOEVLYSA-N 2 1 214.353 1.218 20 0 BDADMP CCn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125194670 388670011 /nfs/dbraw/zinc/67/00/11/388670011.db2.gz GNGJIJBGBVRRJU-LBPRGKRZSA-N 2 1 248.374 1.477 20 0 BDADMP CCn1nccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125194670 388670013 /nfs/dbraw/zinc/67/00/13/388670013.db2.gz GNGJIJBGBVRRJU-LBPRGKRZSA-N 2 1 248.374 1.477 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000248055837 388673270 /nfs/dbraw/zinc/67/32/70/388673270.db2.gz XHVBYHSOUQQFBS-HZSPNIEDSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248055837 388673273 /nfs/dbraw/zinc/67/32/73/388673273.db2.gz XHVBYHSOUQQFBS-HZSPNIEDSA-N 2 1 239.407 1.543 20 0 BDADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248055837 388673274 /nfs/dbraw/zinc/67/32/74/388673274.db2.gz XHVBYHSOUQQFBS-HZSPNIEDSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248494994 388682185 /nfs/dbraw/zinc/68/21/85/388682185.db2.gz PZSRXGGCUXHSNO-GTXQXIFRSA-N 2 1 246.420 1.072 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248494994 388682186 /nfs/dbraw/zinc/68/21/86/388682186.db2.gz PZSRXGGCUXHSNO-GTXQXIFRSA-N 2 1 246.420 1.072 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530218172 388630738 /nfs/dbraw/zinc/63/07/38/388630738.db2.gz IAGCCCUMSMEUFG-FRRDWIJNSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218539 388631356 /nfs/dbraw/zinc/63/13/56/388631356.db2.gz WRXQDPWYOMBWLD-NEPJUHHUSA-N 2 1 234.347 1.146 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000530230669 388636573 /nfs/dbraw/zinc/63/65/73/388636573.db2.gz CINKJJBTLXCBGF-VIFPVBQESA-N 2 1 206.280 1.716 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000530230669 388636576 /nfs/dbraw/zinc/63/65/76/388636576.db2.gz CINKJJBTLXCBGF-VIFPVBQESA-N 2 1 206.280 1.716 20 0 BDADMP CO[C@H]1CC[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000190953293 388659147 /nfs/dbraw/zinc/65/91/47/388659147.db2.gz KMXIZYQBHGSHJX-STQMWFEESA-N 2 1 249.358 1.805 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250660256 388738789 /nfs/dbraw/zinc/73/87/89/388738789.db2.gz POWJVUFHJJXYND-WOPDTQHZSA-N 2 1 223.364 1.083 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250660256 388738793 /nfs/dbraw/zinc/73/87/93/388738793.db2.gz POWJVUFHJJXYND-WOPDTQHZSA-N 2 1 223.364 1.083 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCOC1 ZINC000250832560 388741575 /nfs/dbraw/zinc/74/15/75/388741575.db2.gz JPXKDXXEUODRLV-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCO)[C@@H](C)C1 ZINC000248655517 388688500 /nfs/dbraw/zinc/68/85/00/388688500.db2.gz BOWWEKUGLHGLBL-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cn2)C1 ZINC000126985295 388711121 /nfs/dbraw/zinc/71/11/21/388711121.db2.gz MSVHAGSPNOGKFB-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cn2)C1 ZINC000126985295 388711124 /nfs/dbraw/zinc/71/11/24/388711124.db2.gz MSVHAGSPNOGKFB-ZDUSSCGKSA-N 2 1 233.359 1.821 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCOC[C@H]1C ZINC000249160051 388711805 /nfs/dbraw/zinc/71/18/05/388711805.db2.gz YNSSNUZMQMKBOJ-UPJWGTAASA-N 2 1 228.380 1.731 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)nc1 ZINC000127027586 388711984 /nfs/dbraw/zinc/71/19/84/388711984.db2.gz OHYSKNDMUGDULJ-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)nc1 ZINC000127027586 388711987 /nfs/dbraw/zinc/71/19/87/388711987.db2.gz OHYSKNDMUGDULJ-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1O ZINC000249297557 388716471 /nfs/dbraw/zinc/71/64/71/388716471.db2.gz BNUSZNCXPSGADQ-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@@H+](CC[C@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000249499299 388724101 /nfs/dbraw/zinc/72/41/01/388724101.db2.gz WVBDELDAFGVLOG-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000249499299 388724105 /nfs/dbraw/zinc/72/41/05/388724105.db2.gz WVBDELDAFGVLOG-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CC[C@H]1CCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000249499299 388724109 /nfs/dbraw/zinc/72/41/09/388724109.db2.gz WVBDELDAFGVLOG-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000252979268 388795875 /nfs/dbraw/zinc/79/58/75/388795875.db2.gz HCFYXYCCDMJBNF-NWDGAFQWSA-N 2 1 224.348 1.118 20 0 BDADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000252979268 388795877 /nfs/dbraw/zinc/79/58/77/388795877.db2.gz HCFYXYCCDMJBNF-NWDGAFQWSA-N 2 1 224.348 1.118 20 0 BDADMP CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000229854738 388801186 /nfs/dbraw/zinc/80/11/86/388801186.db2.gz VXDYQOGBMBFZCG-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000229854738 388801189 /nfs/dbraw/zinc/80/11/89/388801189.db2.gz VXDYQOGBMBFZCG-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000229854738 388801191 /nfs/dbraw/zinc/80/11/91/388801191.db2.gz VXDYQOGBMBFZCG-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000229854738 388801193 /nfs/dbraw/zinc/80/11/93/388801193.db2.gz VXDYQOGBMBFZCG-TUAOUCFPSA-N 2 1 214.353 1.172 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228162271 388771719 /nfs/dbraw/zinc/77/17/19/388771719.db2.gz UIPVZSKNKYZONK-QWRGUYRKSA-N 2 1 205.305 1.564 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000252710956 388773604 /nfs/dbraw/zinc/77/36/04/388773604.db2.gz IDGYWTNNEKRUAB-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000252710957 388773836 /nfs/dbraw/zinc/77/38/36/388773836.db2.gz IDGYWTNNEKRUAB-IJLUTSLNSA-N 2 1 228.405 1.812 20 0 BDADMP Cc1oncc1C[N@@H+](C)CCCn1ccnc1 ZINC000129567383 388853461 /nfs/dbraw/zinc/85/34/61/388853461.db2.gz BZDGWDGALNGFJH-UHFFFAOYSA-N 2 1 234.303 1.702 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CC2=CCCOC2)CC[N@@H+]1C ZINC000093644824 388845902 /nfs/dbraw/zinc/84/59/02/388845902.db2.gz KSXCFMMLLZHDAF-GXTWGEPZSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CC2=CCCOC2)CC[N@H+]1C ZINC000093644824 388845906 /nfs/dbraw/zinc/84/59/06/388845906.db2.gz KSXCFMMLLZHDAF-GXTWGEPZSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CC2=CCCOC2)CC[NH+]1C ZINC000093644824 388845910 /nfs/dbraw/zinc/84/59/10/388845910.db2.gz KSXCFMMLLZHDAF-GXTWGEPZSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CC2=CCCOC2)CC[NH+]1C ZINC000093644824 388845915 /nfs/dbraw/zinc/84/59/15/388845915.db2.gz KSXCFMMLLZHDAF-GXTWGEPZSA-N 2 1 238.375 1.748 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000565645371 388959985 /nfs/dbraw/zinc/95/99/85/388959985.db2.gz IJRWFIXJROVMRU-NXEZZACHSA-N 2 1 202.342 1.232 20 0 BDADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[NH3+])c1 ZINC000565357459 388939574 /nfs/dbraw/zinc/93/95/74/388939574.db2.gz YVRLBQVUQAKWKF-NSHDSACASA-N 2 1 235.331 1.260 20 0 BDADMP CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000566089524 388986718 /nfs/dbraw/zinc/98/67/18/388986718.db2.gz KXCNXVKAJWESCN-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1nc(C[NH2+]CC2=CC[N@H+](C)CC2)cs1 ZINC000271871504 389026240 /nfs/dbraw/zinc/02/62/40/389026240.db2.gz XYEQLDMNSMWNCV-UHFFFAOYSA-N 2 1 237.372 1.803 20 0 BDADMP Cc1nc(C[NH2+]CC2=CC[N@@H+](C)CC2)cs1 ZINC000271871504 389026243 /nfs/dbraw/zinc/02/62/43/389026243.db2.gz XYEQLDMNSMWNCV-UHFFFAOYSA-N 2 1 237.372 1.803 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cn[nH]c1 ZINC000275169697 389054799 /nfs/dbraw/zinc/05/47/99/389054799.db2.gz KTQRUTRUKPHJOG-JQWIXIFHSA-N 2 1 222.336 1.545 20 0 BDADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cn[nH]c1 ZINC000275169697 389054794 /nfs/dbraw/zinc/05/47/94/389054794.db2.gz KTQRUTRUKPHJOG-JQWIXIFHSA-N 2 1 222.336 1.545 20 0 BDADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451240 533370769 /nfs/dbraw/zinc/37/07/69/533370769.db2.gz VBKYCHRLJVRKNW-YNEHKIRRSA-N 2 1 240.416 1.956 20 0 BDADMP C[C@@H]([NH2+]CCCc1nccs1)[C@@H]1CCC[NH2+]1 ZINC000400318884 533390961 /nfs/dbraw/zinc/39/09/61/533390961.db2.gz AKMDZKXJVMKCJY-MNOVXSKESA-N 2 1 239.388 1.806 20 0 BDADMP Cc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000111716012 132268144 /nfs/dbraw/zinc/26/81/44/132268144.db2.gz GMLHJVCMILZDLF-ZYHUDNBSSA-N 2 1 234.347 1.657 20 0 BDADMP C[N@@H+](CCO)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884184 132282581 /nfs/dbraw/zinc/28/25/81/132282581.db2.gz FVKVDDDGCDQAQM-UHFFFAOYSA-N 2 1 249.358 1.222 20 0 BDADMP [NH3+]C1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000335525354 133875096 /nfs/dbraw/zinc/87/50/96/133875096.db2.gz KJKIATILTYDRGA-JXQTWKCFSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[C@H]1CCC[NH+]1C ZINC000351925671 134007378 /nfs/dbraw/zinc/00/73/78/134007378.db2.gz FHQYIAVJIWIBDQ-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[C@H]1CCC[N@@H+]1C ZINC000351925671 134007379 /nfs/dbraw/zinc/00/73/79/134007379.db2.gz FHQYIAVJIWIBDQ-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[C@H]1CCC[N@H+]1C ZINC000351925671 134007380 /nfs/dbraw/zinc/00/73/80/134007380.db2.gz FHQYIAVJIWIBDQ-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP CO[C@H](C)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335989759 134039985 /nfs/dbraw/zinc/03/99/85/134039985.db2.gz BSRJEUHRYOAYBA-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H](C)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335989759 134039986 /nfs/dbraw/zinc/03/99/86/134039986.db2.gz BSRJEUHRYOAYBA-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP CCC[N@@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000305707178 134160851 /nfs/dbraw/zinc/16/08/51/134160851.db2.gz YVGWAXIDRBFTEG-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CCC[NH+](CCO)CC[C@H]1CCC[N@@H+]1C ZINC000305707178 134160852 /nfs/dbraw/zinc/16/08/52/134160852.db2.gz YVGWAXIDRBFTEG-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP CCC[NH+](CCO)CC[C@H]1CCC[N@H+]1C ZINC000305707178 134160853 /nfs/dbraw/zinc/16/08/53/134160853.db2.gz YVGWAXIDRBFTEG-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP FCCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000168543404 134225637 /nfs/dbraw/zinc/22/56/37/134225637.db2.gz JKSHPWKVCJBZNM-UHFFFAOYSA-N 2 1 214.328 1.810 20 0 BDADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000217808214 134250609 /nfs/dbraw/zinc/25/06/09/134250609.db2.gz DXDRYDXWHVCDKM-SKDRFNHKSA-N 2 1 242.750 1.652 20 0 BDADMP c1cc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)[nH]n1 ZINC000178979898 134313884 /nfs/dbraw/zinc/31/38/84/134313884.db2.gz AYDOZKIRBCHKBK-UHFFFAOYSA-N 2 1 248.374 1.589 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000222600951 134333847 /nfs/dbraw/zinc/33/38/47/134333847.db2.gz BPAMTDSLHIDZIM-GXTWGEPZSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000222600951 134333848 /nfs/dbraw/zinc/33/38/48/134333848.db2.gz BPAMTDSLHIDZIM-GXTWGEPZSA-N 2 1 233.359 1.820 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1CCOCC1 ZINC000223008307 134335979 /nfs/dbraw/zinc/33/59/79/134335979.db2.gz IFANRQPKEGDPFC-NSHDSACASA-N 2 1 237.347 1.596 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)O)[C@@H](C)C1 ZINC000223584074 134340485 /nfs/dbraw/zinc/34/04/85/134340485.db2.gz QZPAFLRMJJOENJ-TUAOUCFPSA-N 2 1 214.353 1.077 20 0 BDADMP CO[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223925947 134343567 /nfs/dbraw/zinc/34/35/67/134343567.db2.gz SPEJUXBDBMSOIX-IRCOFANPSA-N 2 1 214.353 1.340 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000224552705 134348671 /nfs/dbraw/zinc/34/86/71/134348671.db2.gz YJNWMJLMSAGYAG-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000224552705 134348672 /nfs/dbraw/zinc/34/86/72/134348672.db2.gz YJNWMJLMSAGYAG-QJPTWQEYSA-N 2 1 214.353 1.077 20 0 BDADMP CCOC1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000224683620 134349420 /nfs/dbraw/zinc/34/94/20/134349420.db2.gz IZVDAFGDQHNSTL-ZSVAQUKISA-N 2 1 226.364 1.626 20 0 BDADMP CCOC1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000224683620 134349421 /nfs/dbraw/zinc/34/94/21/134349421.db2.gz IZVDAFGDQHNSTL-ZSVAQUKISA-N 2 1 226.364 1.626 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCSC1 ZINC000224620196 134349500 /nfs/dbraw/zinc/34/95/00/134349500.db2.gz GTUGJRDUHMXNIE-JTQLQIEISA-N 2 1 202.367 1.281 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227541390 134382631 /nfs/dbraw/zinc/38/26/31/134382631.db2.gz GSFNPGIBYFIKOP-ZWKOPEQDSA-N 2 1 220.316 1.349 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227824307 134389214 /nfs/dbraw/zinc/38/92/14/134389214.db2.gz UZMLCYFRVLLQKE-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227913008 134398766 /nfs/dbraw/zinc/39/87/66/134398766.db2.gz HJFBMSZDFDPSOG-MCIONIFRSA-N 2 1 248.374 1.488 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227913008 134398767 /nfs/dbraw/zinc/39/87/67/134398767.db2.gz HJFBMSZDFDPSOG-MCIONIFRSA-N 2 1 248.374 1.488 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC[N@@H+]1C ZINC000187248675 134937645 /nfs/dbraw/zinc/93/76/45/134937645.db2.gz LWMZCXCTOLOJDV-DHGKCCLASA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC[N@H+]1C ZINC000187248675 134937646 /nfs/dbraw/zinc/93/76/46/134937646.db2.gz LWMZCXCTOLOJDV-DHGKCCLASA-N 2 1 238.375 1.626 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000071012017 135017127 /nfs/dbraw/zinc/01/71/27/135017127.db2.gz CAXILOIFHYMSSX-LPWJVIDDSA-N 2 1 226.364 1.484 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000071011001 135017244 /nfs/dbraw/zinc/01/72/44/135017244.db2.gz DZPWSUNZUDHHGB-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)O1 ZINC000248899802 135025942 /nfs/dbraw/zinc/02/59/42/135025942.db2.gz KQOHLIPCNKAQQI-RFQIPJPRSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)O1 ZINC000248899802 135025943 /nfs/dbraw/zinc/02/59/43/135025943.db2.gz KQOHLIPCNKAQQI-RFQIPJPRSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)O1 ZINC000248899802 135025944 /nfs/dbraw/zinc/02/59/44/135025944.db2.gz KQOHLIPCNKAQQI-RFQIPJPRSA-N 2 1 240.391 1.968 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)O1 ZINC000248899802 135025945 /nfs/dbraw/zinc/02/59/45/135025945.db2.gz KQOHLIPCNKAQQI-RFQIPJPRSA-N 2 1 240.391 1.968 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250367075 135053014 /nfs/dbraw/zinc/05/30/14/135053014.db2.gz YOGFCDWFMPLNAP-BFHYXJOUSA-N 3 1 239.407 1.448 20 0 BDADMP C[NH+](C)C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250681776 135057935 /nfs/dbraw/zinc/05/79/35/135057935.db2.gz ACADFWCLNGWPQD-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCOC1 ZINC000250828331 135059868 /nfs/dbraw/zinc/05/98/68/135059868.db2.gz ICLUQDZNYPWMJB-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCOC1 ZINC000250828331 135059871 /nfs/dbraw/zinc/05/98/71/135059871.db2.gz ICLUQDZNYPWMJB-MELADBBJSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H](O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251228821 135065803 /nfs/dbraw/zinc/06/58/03/135065803.db2.gz PUHGDRDOVSKPQF-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251228821 135065806 /nfs/dbraw/zinc/06/58/06/135065806.db2.gz PUHGDRDOVSKPQF-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000251228821 135065809 /nfs/dbraw/zinc/06/58/09/135065809.db2.gz PUHGDRDOVSKPQF-XQQFMLRXSA-N 2 1 226.364 1.173 20 0 BDADMP CO[C@@H]1C[N@@H+](CCn2ccnc2)CC[C@H]1C ZINC000251992978 135082317 /nfs/dbraw/zinc/08/23/17/135082317.db2.gz WBDVHGPDFVMIAW-VXGBXAGGSA-N 2 1 223.320 1.240 20 0 BDADMP CC(C)C[N@@H+](CCOCC[NH3+])C(C)C ZINC000086435546 135084161 /nfs/dbraw/zinc/08/41/61/135084161.db2.gz YTRXLJQTYFYUEB-UHFFFAOYSA-N 2 1 202.342 1.328 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000252177928 135085896 /nfs/dbraw/zinc/08/58/96/135085896.db2.gz SJJUWQBDHZKWCJ-LPWJVIDDSA-N 2 1 228.380 1.323 20 0 BDADMP CC(C)[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539039 135092379 /nfs/dbraw/zinc/09/23/79/135092379.db2.gz BCRRVYLIFQLUGH-AVGNSLFASA-N 2 1 226.364 1.484 20 0 BDADMP CC(C)[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539039 135092380 /nfs/dbraw/zinc/09/23/80/135092380.db2.gz BCRRVYLIFQLUGH-AVGNSLFASA-N 2 1 226.364 1.484 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252545848 135092450 /nfs/dbraw/zinc/09/24/50/135092450.db2.gz JWXORPAGYHJDLJ-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252545848 135092452 /nfs/dbraw/zinc/09/24/52/135092452.db2.gz JWXORPAGYHJDLJ-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252511890 135092735 /nfs/dbraw/zinc/09/27/35/135092735.db2.gz HSPHTYATIMKAGK-FVCCEPFGSA-N 2 1 228.380 1.323 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000252682973 135096134 /nfs/dbraw/zinc/09/61/34/135096134.db2.gz CZVKNPDUXLJVBD-LOWVWBTDSA-N 2 1 224.348 1.238 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)O)[C@@H](C)C1 ZINC000252714100 135100257 /nfs/dbraw/zinc/10/02/57/135100257.db2.gz QZPAFLRMJJOENJ-SRVKXCTJSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712776 135100364 /nfs/dbraw/zinc/10/03/64/135100364.db2.gz NIKRNRJHNCBCIJ-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP CCC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252712153 135100384 /nfs/dbraw/zinc/10/03/84/135100384.db2.gz LPMGKFTVJOXSES-MROQNXINSA-N 2 1 228.380 1.466 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712775 135100552 /nfs/dbraw/zinc/10/05/52/135100552.db2.gz NIKRNRJHNCBCIJ-AGIUHOORSA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000252711797 135100940 /nfs/dbraw/zinc/10/09/40/135100940.db2.gz KQAXJRZDJVRVHX-JHJVBQTASA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000252714759 135101204 /nfs/dbraw/zinc/10/12/04/135101204.db2.gz SWFUTRXKMQBRIV-GMTAPVOTSA-N 2 1 214.378 1.422 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000252714759 135101206 /nfs/dbraw/zinc/10/12/06/135101206.db2.gz SWFUTRXKMQBRIV-GMTAPVOTSA-N 2 1 214.378 1.422 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000252716811 135102701 /nfs/dbraw/zinc/10/27/01/135102701.db2.gz ZECGGVQOYGZCFW-SDDRHHMPSA-N 2 1 214.353 1.341 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C)COC1 ZINC000087197225 135112136 /nfs/dbraw/zinc/11/21/36/135112136.db2.gz NOTFGIYFFXMXGK-WOPDTQHZSA-N 2 1 226.364 1.341 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252856616 135113746 /nfs/dbraw/zinc/11/37/46/135113746.db2.gz KXTCLVAWAKZZGX-AVGNSLFASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000252894783 135116730 /nfs/dbraw/zinc/11/67/30/135116730.db2.gz WQPQEPRSWCXCIP-BXUZGUMPSA-N 2 1 234.343 1.822 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000252894783 135116733 /nfs/dbraw/zinc/11/67/33/135116733.db2.gz WQPQEPRSWCXCIP-BXUZGUMPSA-N 2 1 234.343 1.822 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCCO ZINC000253336480 135126385 /nfs/dbraw/zinc/12/63/85/135126385.db2.gz YKPGEGGCBLIIBH-NWDGAFQWSA-N 2 1 214.353 1.079 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257670050 135138256 /nfs/dbraw/zinc/13/82/56/135138256.db2.gz DNUWYSKSYMAQLS-AWEZNQCLSA-N 2 1 231.343 1.970 20 0 BDADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257673714 135138531 /nfs/dbraw/zinc/13/85/31/135138531.db2.gz JEOCGPBGTNUWTB-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257654709 135138725 /nfs/dbraw/zinc/13/87/25/135138725.db2.gz FAICCJGJKUSOCJ-UHFFFAOYSA-N 2 1 249.358 1.867 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257741650 135140661 /nfs/dbraw/zinc/14/06/61/135140661.db2.gz ZAELQRPRSRJINM-UHFFFAOYSA-N 2 1 248.374 1.304 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257741631 135140982 /nfs/dbraw/zinc/14/09/82/135140982.db2.gz YZNVDTSEKMVKHY-QWHCGFSZSA-N 2 1 224.348 1.098 20 0 BDADMP Cc1cc(C)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c(C)c1 ZINC000259221199 135141934 /nfs/dbraw/zinc/14/19/34/135141934.db2.gz XOJFJHJZEZSKDL-ZDUSSCGKSA-N 2 1 236.359 1.363 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOCCC(C)C ZINC000087472786 135142345 /nfs/dbraw/zinc/14/23/45/135142345.db2.gz FKQNAEXDCDAQTC-UHFFFAOYSA-N 2 1 216.369 1.590 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOCCC(C)C ZINC000087472786 135142348 /nfs/dbraw/zinc/14/23/48/135142348.db2.gz FKQNAEXDCDAQTC-UHFFFAOYSA-N 2 1 216.369 1.590 20 0 BDADMP C[C@@H]1CC[N@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000261361205 135150444 /nfs/dbraw/zinc/15/04/44/135150444.db2.gz YPJDZODBYQTTKY-NXEZZACHSA-N 2 1 209.293 1.091 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000261361205 135150445 /nfs/dbraw/zinc/15/04/45/135150445.db2.gz YPJDZODBYQTTKY-NXEZZACHSA-N 2 1 209.293 1.091 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527803 135152767 /nfs/dbraw/zinc/15/27/67/135152767.db2.gz HIAGPPAMAFRAHG-ZJUUUORDSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527803 135152769 /nfs/dbraw/zinc/15/27/69/135152769.db2.gz HIAGPPAMAFRAHG-ZJUUUORDSA-N 2 1 200.351 1.163 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])C(C)(C)C1 ZINC000261531281 135159704 /nfs/dbraw/zinc/15/97/04/135159704.db2.gz FZIDKLWBWMDJDM-JTQLQIEISA-N 2 1 200.326 1.082 20 0 BDADMP COc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000087653308 135161320 /nfs/dbraw/zinc/16/13/20/135161320.db2.gz JDSUHXMVPARIEC-UHFFFAOYSA-N 2 1 220.316 1.617 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000261532429 135162497 /nfs/dbraw/zinc/16/24/97/135162497.db2.gz BIKCCUGPRYFJRQ-YNEHKIRRSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261532135 135162670 /nfs/dbraw/zinc/16/26/70/135162670.db2.gz JHCGBMNTONWLLS-IJLUTSLNSA-N 2 1 212.337 1.082 20 0 BDADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1C ZINC000261532427 135162867 /nfs/dbraw/zinc/16/28/67/135162867.db2.gz BIKCCUGPRYFJRQ-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCSC3)C[C@H]12 ZINC000261532771 135163306 /nfs/dbraw/zinc/16/33/06/135163306.db2.gz KDBJUIBLSMESAE-WISYIIOYSA-N 2 1 226.389 1.409 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000261533689 135165659 /nfs/dbraw/zinc/16/56/59/135165659.db2.gz KAQNKDPROJECQL-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CO ZINC000269682329 135166525 /nfs/dbraw/zinc/16/65/25/135166525.db2.gz FDPCCMKRXXNPOD-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CO ZINC000269682329 135166527 /nfs/dbraw/zinc/16/65/27/135166527.db2.gz FDPCCMKRXXNPOD-LBPRGKRZSA-N 2 1 223.320 1.038 20 0 BDADMP C[C@@H]1CCCN(Cc2noc(C[NH3+])n2)[C@@H]1C ZINC000261534298 135166705 /nfs/dbraw/zinc/16/67/05/135166705.db2.gz PNZYDJSAMYVURJ-RKDXNWHRSA-N 2 1 224.308 1.149 20 0 BDADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cncs1 ZINC000261534365 135166738 /nfs/dbraw/zinc/16/67/38/135166738.db2.gz MCNNRNDQCPBUNC-SNVBAGLBSA-N 2 1 225.361 1.621 20 0 BDADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000261534692 135168196 /nfs/dbraw/zinc/16/81/96/135168196.db2.gz MXSSEKWTNDCVIZ-RYUDHWBXSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000087783690 135169708 /nfs/dbraw/zinc/16/97/08/135169708.db2.gz NIMMBYUPDUNYNV-KKOKHZNYSA-N 2 1 212.337 1.094 20 0 BDADMP c1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261535698 135170187 /nfs/dbraw/zinc/17/01/87/135170187.db2.gz PBIOFFALZDHCPV-WDEREUQCSA-N 2 1 222.357 1.789 20 0 BDADMP CCOC[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000261536006 135170562 /nfs/dbraw/zinc/17/05/62/135170562.db2.gz QAOFVZGCRHBMRG-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000261536006 135170564 /nfs/dbraw/zinc/17/05/64/135170564.db2.gz QAOFVZGCRHBMRG-MNOVXSKESA-N 2 1 200.326 1.082 20 0 BDADMP Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261536394 135172142 /nfs/dbraw/zinc/17/21/42/135172142.db2.gz ROLNNQWVQFDLHN-WCQYABFASA-N 2 1 204.317 1.917 20 0 BDADMP Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261536394 135172143 /nfs/dbraw/zinc/17/21/43/135172143.db2.gz ROLNNQWVQFDLHN-WCQYABFASA-N 2 1 204.317 1.917 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccco1 ZINC000261537697 135175025 /nfs/dbraw/zinc/17/50/25/135175025.db2.gz WEEZCASXIANOCZ-GARJFASQSA-N 2 1 208.305 1.928 20 0 BDADMP COC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000261543239 135183831 /nfs/dbraw/zinc/18/38/31/135183831.db2.gz RYLBSQSQVIDPHS-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)n1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000261543259 135184068 /nfs/dbraw/zinc/18/40/68/135184068.db2.gz SDIDCAHHOXHGHH-NEPJUHHUSA-N 2 1 236.363 1.633 20 0 BDADMP CC(C)n1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000261543259 135184069 /nfs/dbraw/zinc/18/40/69/135184069.db2.gz SDIDCAHHOXHGHH-NEPJUHHUSA-N 2 1 236.363 1.633 20 0 BDADMP Cc1cnn(CC[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261544644 135185854 /nfs/dbraw/zinc/18/58/54/135185854.db2.gz FCKHJUCXVCTTDL-ZDUSSCGKSA-N 2 1 236.363 1.252 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261549219 135187286 /nfs/dbraw/zinc/18/72/86/135187286.db2.gz KFOAAMHPHDCPTA-AGIUHOORSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261549219 135187287 /nfs/dbraw/zinc/18/72/87/135187287.db2.gz KFOAAMHPHDCPTA-AGIUHOORSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000261551045 135190499 /nfs/dbraw/zinc/19/04/99/135190499.db2.gz PZWIUMPATRHCCO-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000084215695 135192309 /nfs/dbraw/zinc/19/23/09/135192309.db2.gz MWZIATKQBGNOIL-OLZOCXBDSA-N 2 1 225.380 1.189 20 0 BDADMP CCc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc(C)[nH+]1 ZINC000261553726 135192925 /nfs/dbraw/zinc/19/29/25/135192925.db2.gz ANCRDNABUGMMJS-YPMHNXCESA-N 2 1 246.358 1.536 20 0 BDADMP CCc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc(C)[nH+]1 ZINC000261553722 135193221 /nfs/dbraw/zinc/19/32/21/135193221.db2.gz ANCRDNABUGMMJS-DGCLKSJQSA-N 2 1 246.358 1.536 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261554640 135194693 /nfs/dbraw/zinc/19/46/93/135194693.db2.gz BAAHUFOLXLNSFE-SDDRHHMPSA-N 2 1 247.342 1.265 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000261558205 135198486 /nfs/dbraw/zinc/19/84/86/135198486.db2.gz CZMBIXKLBILUPF-BPLDGKMQSA-N 2 1 246.354 1.735 20 0 BDADMP C[C@@H]1CCSCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261557881 135198742 /nfs/dbraw/zinc/19/87/42/135198742.db2.gz XTXLFYRUZHDCGQ-VXGBXAGGSA-N 2 1 228.405 1.813 20 0 BDADMP CCc1nc(N[C@H]2CCC[NH2+][C@H]2C)cc(C)[nH+]1 ZINC000261560815 135202106 /nfs/dbraw/zinc/20/21/06/135202106.db2.gz UXKGLVLCXLOCLU-QWRGUYRKSA-N 2 1 234.347 1.900 20 0 BDADMP Cc1ncccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261561467 135202439 /nfs/dbraw/zinc/20/24/39/135202439.db2.gz AOHHZXICZCXRSS-GWCFXTLKSA-N 2 1 219.332 1.559 20 0 BDADMP Cc1ncccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261561467 135202440 /nfs/dbraw/zinc/20/24/40/135202440.db2.gz AOHHZXICZCXRSS-GWCFXTLKSA-N 2 1 219.332 1.559 20 0 BDADMP CC(C)COCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562891 135204646 /nfs/dbraw/zinc/20/46/46/135204646.db2.gz BRVOHKKFARMCFP-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562891 135204647 /nfs/dbraw/zinc/20/46/47/135204647.db2.gz BRVOHKKFARMCFP-OLZOCXBDSA-N 2 1 226.364 1.343 20 0 BDADMP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc(C)[nH+]1 ZINC000261564619 135206796 /nfs/dbraw/zinc/20/67/96/135206796.db2.gz XTVYCSGQBVBVRA-SRVKXCTJSA-N 2 1 232.331 1.267 20 0 BDADMP CCCn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261564760 135206915 /nfs/dbraw/zinc/20/69/15/135206915.db2.gz HMELBCAFWBOORT-BFHYXJOUSA-N 2 1 248.374 1.462 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261565622 135207732 /nfs/dbraw/zinc/20/77/32/135207732.db2.gz DBXHXLKFEAPBPD-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261565622 135207735 /nfs/dbraw/zinc/20/77/35/135207735.db2.gz DBXHXLKFEAPBPD-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1csc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261568695 135210045 /nfs/dbraw/zinc/21/00/45/135210045.db2.gz FTFAOTHYTGHCBL-DCAQKATOSA-N 2 1 237.372 1.621 20 0 BDADMP Cc1csc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261568695 135210046 /nfs/dbraw/zinc/21/00/46/135210046.db2.gz FTFAOTHYTGHCBL-DCAQKATOSA-N 2 1 237.372 1.621 20 0 BDADMP Cc1csc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261568693 135210844 /nfs/dbraw/zinc/21/08/44/135210844.db2.gz FTFAOTHYTGHCBL-AXFHLTTASA-N 2 1 237.372 1.621 20 0 BDADMP Cc1csc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261568693 135210845 /nfs/dbraw/zinc/21/08/45/135210845.db2.gz FTFAOTHYTGHCBL-AXFHLTTASA-N 2 1 237.372 1.621 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]12 ZINC000261570961 135213032 /nfs/dbraw/zinc/21/30/32/135213032.db2.gz HFGJOFGGQVYRRN-FVCCEPFGSA-N 2 1 224.348 1.082 20 0 BDADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000164138663 135214043 /nfs/dbraw/zinc/21/40/43/135214043.db2.gz ZXMUGHBCPZRKEZ-LLVKDONJSA-N 2 1 222.307 1.915 20 0 BDADMP Cc1ncccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261580661 135221350 /nfs/dbraw/zinc/22/13/50/135221350.db2.gz NBIQFEDYPOCWMC-ZYHUDNBSSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC[NH3+] ZINC000261582064 135222102 /nfs/dbraw/zinc/22/21/02/135222102.db2.gz OBJHDRCSEFLTOG-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC[NH3+] ZINC000261582064 135222103 /nfs/dbraw/zinc/22/21/03/135222103.db2.gz OBJHDRCSEFLTOG-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP C[C@H]1C[C@@H](N(C)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000261584834 135226282 /nfs/dbraw/zinc/22/62/82/135226282.db2.gz QBGLPVOWVIQHCW-QWRGUYRKSA-N 2 1 213.369 1.138 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000261586520 135227759 /nfs/dbraw/zinc/22/77/59/135227759.db2.gz RDJOZSDHYRJWRQ-LLVKDONJSA-N 2 1 205.305 1.049 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261591163 135231809 /nfs/dbraw/zinc/23/18/09/135231809.db2.gz VCQZCABLUQSLFG-XQQFMLRXSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000261592090 135232478 /nfs/dbraw/zinc/23/24/78/135232478.db2.gz YEZWVTGXAMXKMB-CMPLNLGQSA-N 2 1 248.326 1.503 20 0 BDADMP C(C1CCOCC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261591761 135232843 /nfs/dbraw/zinc/23/28/43/135232843.db2.gz VOURXFQZOGCXSH-OLZOCXBDSA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]12 ZINC000261595255 135235393 /nfs/dbraw/zinc/23/53/93/135235393.db2.gz XZORXWRVIICXJB-YNEHKIRRSA-N 2 1 224.348 1.082 20 0 BDADMP CC(C)(O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261545927 135237326 /nfs/dbraw/zinc/23/73/26/135237326.db2.gz GJWUQJAELZYUMH-STQMWFEESA-N 2 1 234.343 1.882 20 0 BDADMP CCc1cc(N2CC[C@H]([NH3+])[C@H]2C)nc(C)[nH+]1 ZINC000261599066 135237898 /nfs/dbraw/zinc/23/78/98/135237898.db2.gz ZTXHSROXFMYHDF-KCJUWKMLSA-N 2 1 220.320 1.273 20 0 BDADMP CCC1(CO)CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261599723 135237920 /nfs/dbraw/zinc/23/79/20/135237920.db2.gz ZZBZGPBSAYHMPC-UHFFFAOYSA-N 2 1 214.353 1.208 20 0 BDADMP CCc1nc(N2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000261545960 135238459 /nfs/dbraw/zinc/23/84/59/135238459.db2.gz GMEUVZFPLXNAFV-GHMZBOCLSA-N 2 1 234.347 1.521 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261547812 135241107 /nfs/dbraw/zinc/24/11/07/135241107.db2.gz IOYNKAGDZPKHKC-QWHCGFSZSA-N 3 1 236.363 1.299 20 0 BDADMP CCC[C@@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261683606 135246268 /nfs/dbraw/zinc/24/62/68/135246268.db2.gz INTWQAPYQPDGSV-CYBMUJFWSA-N 2 1 225.380 1.060 20 0 BDADMP O=c1[nH]ccc2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261694753 135246506 /nfs/dbraw/zinc/24/65/06/135246506.db2.gz HSRMEANEVYOEHL-LLVKDONJSA-N 2 1 247.342 1.145 20 0 BDADMP CC(C)(C)[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000261755115 135250003 /nfs/dbraw/zinc/25/00/03/135250003.db2.gz MBVLFAGKAMBEAU-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP CC(C)(C)[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000261755115 135250004 /nfs/dbraw/zinc/25/00/04/135250004.db2.gz MBVLFAGKAMBEAU-CHWSQXEVSA-N 2 1 240.391 1.733 20 0 BDADMP CN(C[C@H]1CCC[N@@H+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261751322 135250096 /nfs/dbraw/zinc/25/00/96/135250096.db2.gz JWAALBZVBRQNBA-UONOGXRCSA-N 3 1 239.407 1.260 20 0 BDADMP C[N@@H+](CCOc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261765658 135250756 /nfs/dbraw/zinc/25/07/56/135250756.db2.gz LXPJTSFKDPXDHA-HNNXBMFYSA-N 2 1 248.370 1.997 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261775993 135251760 /nfs/dbraw/zinc/25/17/60/135251760.db2.gz FBKRDWNHVOSYDJ-ZIAGYGMSSA-N 3 1 239.407 1.402 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261775993 135251761 /nfs/dbraw/zinc/25/17/61/135251761.db2.gz FBKRDWNHVOSYDJ-ZIAGYGMSSA-N 3 1 239.407 1.402 20 0 BDADMP CC[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]CC1 ZINC000261782121 135252946 /nfs/dbraw/zinc/25/29/46/135252946.db2.gz FLQVKWLWDABNJI-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000261792182 135253918 /nfs/dbraw/zinc/25/39/18/135253918.db2.gz GFADQDBZCJSNJT-CQSZACIVSA-N 3 1 239.407 1.402 20 0 BDADMP CC(=O)NC1CCC([N@@H+](C)CC(C)(C)N)CC1 ZINC000261807627 135254626 /nfs/dbraw/zinc/25/46/26/135254626.db2.gz HMOIBLSLGSRGJC-UHFFFAOYSA-N 2 1 241.379 1.103 20 0 BDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261831540 135256189 /nfs/dbraw/zinc/25/61/89/135256189.db2.gz JCDBMTOAFZEQDD-SYQHCUMBSA-N 2 1 240.391 1.467 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261827443 135256520 /nfs/dbraw/zinc/25/65/20/135256520.db2.gz IVWQYMLMGCGOSX-OLZOCXBDSA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882890 135259756 /nfs/dbraw/zinc/25/97/56/135259756.db2.gz RINBNJCQOCZPQN-OLZOCXBDSA-N 2 1 224.348 1.098 20 0 BDADMP CC(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261899483 135261199 /nfs/dbraw/zinc/26/11/99/135261199.db2.gz HNZDLIOWVMKOJW-YNEHKIRRSA-N 2 1 226.364 1.389 20 0 BDADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261933384 135264665 /nfs/dbraw/zinc/26/46/65/135264665.db2.gz LUTBEAOXIUMUMC-BZPMIXESSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000261936998 135264700 /nfs/dbraw/zinc/26/47/00/135264700.db2.gz MFDGBZADELVYAV-KBPBESRZSA-N 2 1 239.407 1.258 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261948454 135265129 /nfs/dbraw/zinc/26/51/29/135265129.db2.gz FQPVHTSTAKKGPG-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CC1 ZINC000261967441 135266742 /nfs/dbraw/zinc/26/67/42/135266742.db2.gz QFROLDAYPVICDJ-IGHBBLSQSA-N 2 1 238.375 1.532 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000261986688 135269570 /nfs/dbraw/zinc/26/95/70/135269570.db2.gz RXWFKULFGDYVOU-WCQYABFASA-N 2 1 224.348 1.097 20 0 BDADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000261986688 135269571 /nfs/dbraw/zinc/26/95/71/135269571.db2.gz RXWFKULFGDYVOU-WCQYABFASA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)n1nccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261998131 135271105 /nfs/dbraw/zinc/27/11/05/135271105.db2.gz TVQNWBLQSCWQFF-YUTCNCBUSA-N 2 1 248.374 1.633 20 0 BDADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261998131 135271106 /nfs/dbraw/zinc/27/11/06/135271106.db2.gz TVQNWBLQSCWQFF-YUTCNCBUSA-N 2 1 248.374 1.633 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH2+]C)C2)CCO1 ZINC000262034379 135275090 /nfs/dbraw/zinc/27/50/90/135275090.db2.gz OJONPJUBCVNPHR-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH2+]C)C2)CCO1 ZINC000262034379 135275091 /nfs/dbraw/zinc/27/50/91/135275091.db2.gz OJONPJUBCVNPHR-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262042321 135275609 /nfs/dbraw/zinc/27/56/09/135275609.db2.gz YRGRVZYPRBIHGD-NJMOYASZSA-N 2 1 224.348 1.142 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000262046559 135275863 /nfs/dbraw/zinc/27/58/63/135275863.db2.gz YZBGGKAOJAXBEZ-AVGNSLFASA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000262046562 135276223 /nfs/dbraw/zinc/27/62/23/135276223.db2.gz YZBGGKAOJAXBEZ-RWMBFGLXSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C2CC2)O1 ZINC000262054015 135276889 /nfs/dbraw/zinc/27/68/89/135276889.db2.gz ZXAQCQYWNLQBNU-SMDDNHRTSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@]1(C[N@H+](CCO)Cc2ccccc2)CC[NH2+]C1 ZINC000262090789 135279083 /nfs/dbraw/zinc/27/90/83/135279083.db2.gz UVIPELFBRFGZAJ-OAHLLOKOSA-N 2 1 248.370 1.481 20 0 BDADMP C[C@@]1(C[N@@H+](CCO)Cc2ccccc2)CC[NH2+]C1 ZINC000262090789 135279084 /nfs/dbraw/zinc/27/90/84/135279084.db2.gz UVIPELFBRFGZAJ-OAHLLOKOSA-N 2 1 248.370 1.481 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000262131351 135280829 /nfs/dbraw/zinc/28/08/29/135280829.db2.gz OBNRSZCGWRDNAI-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262131351 135280828 /nfs/dbraw/zinc/28/08/28/135280828.db2.gz OBNRSZCGWRDNAI-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000334312619 135351797 /nfs/dbraw/zinc/35/17/97/135351797.db2.gz UIXQGXRCJYQWLU-KWQFWETISA-N 2 1 222.336 1.196 20 0 BDADMP Cc1nocc1CN(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000334330182 135354884 /nfs/dbraw/zinc/35/48/84/135354884.db2.gz OPBIWIWSOZJKTJ-GWCFXTLKSA-N 2 1 237.347 1.755 20 0 BDADMP C([C@@H]1CCCOC1)[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000299893955 135381208 /nfs/dbraw/zinc/38/12/08/135381208.db2.gz QWILHNZOHWUPLU-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000299893955 135381209 /nfs/dbraw/zinc/38/12/09/135381209.db2.gz QWILHNZOHWUPLU-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP Cc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000334833844 135817603 /nfs/dbraw/zinc/81/76/03/135817603.db2.gz TYQOJYCZXVAWCO-WDNDVIMCSA-N 2 1 216.328 1.611 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@]12CCOC2 ZINC000367456696 136043261 /nfs/dbraw/zinc/04/32/61/136043261.db2.gz CMXBSBHPOZUYTF-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335349023 136068029 /nfs/dbraw/zinc/06/80/29/136068029.db2.gz OAXNZQDYFNNMPM-ZYHUDNBSSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335349023 136068030 /nfs/dbraw/zinc/06/80/30/136068030.db2.gz OAXNZQDYFNNMPM-ZYHUDNBSSA-N 2 1 222.336 1.135 20 0 BDADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000348358696 136072707 /nfs/dbraw/zinc/07/27/07/136072707.db2.gz PMQNYFSOHSQIGJ-STQMWFEESA-N 2 1 237.347 1.739 20 0 BDADMP c1ccc2c(c1)OCCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335552587 136098533 /nfs/dbraw/zinc/09/85/33/136098533.db2.gz PKXOEZNBTNQVLI-CYBMUJFWSA-N 2 1 232.327 1.709 20 0 BDADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC[NH3+] ZINC000335565789 136107359 /nfs/dbraw/zinc/10/73/59/136107359.db2.gz SLYGWHIGIYEHFZ-RNCFNFMXSA-N 2 1 222.307 1.997 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC000335569728 136108894 /nfs/dbraw/zinc/10/88/94/136108894.db2.gz DAKKXWSPMIAGPM-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000335569728 136108895 /nfs/dbraw/zinc/10/88/95/136108895.db2.gz DAKKXWSPMIAGPM-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000335569728 136108896 /nfs/dbraw/zinc/10/88/96/136108896.db2.gz DAKKXWSPMIAGPM-KBPBESRZSA-N 2 1 238.375 1.441 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC000335570937 136109142 /nfs/dbraw/zinc/10/91/42/136109142.db2.gz XRFWSVSNVNVLEE-CYBMUJFWSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC000335570937 136109143 /nfs/dbraw/zinc/10/91/43/136109143.db2.gz XRFWSVSNVNVLEE-CYBMUJFWSA-N 2 1 208.349 1.957 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC000335570937 136109144 /nfs/dbraw/zinc/10/91/44/136109144.db2.gz XRFWSVSNVNVLEE-CYBMUJFWSA-N 2 1 208.349 1.957 20 0 BDADMP CO[C@H](C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335571675 136109742 /nfs/dbraw/zinc/10/97/42/136109742.db2.gz ZNIKERQHRUTZGJ-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP CO[C@H](C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335571675 136109743 /nfs/dbraw/zinc/10/97/43/136109743.db2.gz ZNIKERQHRUTZGJ-NEPJUHHUSA-N 2 1 212.337 1.049 20 0 BDADMP COc1ccncc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000379764025 397991021 /nfs/dbraw/zinc/99/10/21/397991021.db2.gz GLMWZTWRGBXCFG-QWRGUYRKSA-N 2 1 235.331 1.259 20 0 BDADMP COc1ccncc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000379764025 397991025 /nfs/dbraw/zinc/99/10/25/397991025.db2.gz GLMWZTWRGBXCFG-QWRGUYRKSA-N 2 1 235.331 1.259 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414824286 398045796 /nfs/dbraw/zinc/04/57/96/398045796.db2.gz QPMOQCDKLPMOLG-MQYQWHSLSA-N 3 1 239.407 1.495 20 0 BDADMP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000383194386 398009952 /nfs/dbraw/zinc/00/99/52/398009952.db2.gz SRHLGPWKPZOEAP-SYQHCUMBSA-N 2 1 240.391 1.610 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414823287 398047250 /nfs/dbraw/zinc/04/72/50/398047250.db2.gz IBOAARVKQVORGF-GFCCVEGCSA-N 2 1 234.343 1.362 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121494244 398019557 /nfs/dbraw/zinc/01/95/57/398019557.db2.gz NFESNKGWPOBMTA-RYUDHWBXSA-N 2 1 239.363 1.842 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000383887215 398047756 /nfs/dbraw/zinc/04/77/56/398047756.db2.gz TXEYVJPFKJNIPF-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1ccc(CNC[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000383480901 398021931 /nfs/dbraw/zinc/02/19/31/398021931.db2.gz ARXACATWFJKGBV-GFCCVEGCSA-N 2 1 238.331 1.133 20 0 BDADMP CC(C)OCCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000382856207 397984442 /nfs/dbraw/zinc/98/44/42/397984442.db2.gz LIPYKQOYMRVBMC-UHFFFAOYSA-N 2 1 202.342 1.471 20 0 BDADMP C[C@@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000389323124 398073447 /nfs/dbraw/zinc/07/34/47/398073447.db2.gz CYCNEVRSLBAATJ-QWRGUYRKSA-N 2 1 214.353 1.328 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](OC)C2)[C@H](C)C1 ZINC000188800660 398077281 /nfs/dbraw/zinc/07/72/81/398077281.db2.gz JFMYQWBKZCXZEW-MQYQWHSLSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H](C[NH3+])C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414879505 398078728 /nfs/dbraw/zinc/07/87/28/398078728.db2.gz PRDYDFRLZRPSLA-GFCCVEGCSA-N 2 1 244.342 1.557 20 0 BDADMP COCc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414879674 398078931 /nfs/dbraw/zinc/07/89/31/398078931.db2.gz IPLMEKKFSOHNMN-UHFFFAOYSA-N 2 1 234.343 1.804 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449089513 398057065 /nfs/dbraw/zinc/05/70/65/398057065.db2.gz KVCYZQHBYJIFBM-NTZNESFSSA-N 2 1 237.347 1.737 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)COC ZINC000390775310 398099281 /nfs/dbraw/zinc/09/92/81/398099281.db2.gz DZDDEFDLESZWHO-QWHCGFSZSA-N 2 1 230.396 1.979 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)COC ZINC000390775310 398099284 /nfs/dbraw/zinc/09/92/84/398099284.db2.gz DZDDEFDLESZWHO-QWHCGFSZSA-N 2 1 230.396 1.979 20 0 BDADMP COC1(C[N@H+]2CCC[NH2+]CC2)CCCC1 ZINC000308898255 398101715 /nfs/dbraw/zinc/10/17/15/398101715.db2.gz AYVFEXVMHQQBGE-UHFFFAOYSA-N 2 1 212.337 1.241 20 0 BDADMP C[C@H](C[NH3+])[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414929230 398109447 /nfs/dbraw/zinc/10/94/47/398109447.db2.gz OCXBIYXUQMVQMA-LLVKDONJSA-N 2 1 234.343 1.491 20 0 BDADMP C[N@H+](CCOCc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000393634265 487576733 /nfs/dbraw/zinc/57/67/33/487576733.db2.gz PAIRDHQZRIXZBL-HNNXBMFYSA-N 2 1 248.370 1.872 20 0 BDADMP C[N@@H+](CCOCc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000393634265 487576735 /nfs/dbraw/zinc/57/67/35/487576735.db2.gz PAIRDHQZRIXZBL-HNNXBMFYSA-N 2 1 248.370 1.872 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CCO1 ZINC000070356918 487589342 /nfs/dbraw/zinc/58/93/42/487589342.db2.gz OZQWIKWLHYHXBE-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP c1ccc2c(c1)CC([NH2+]C[C@@H]1CCCC[NH2+]1)C2 ZINC000232475084 487596644 /nfs/dbraw/zinc/59/66/44/487596644.db2.gz FCKPSZXHJUKFSE-AWEZNQCLSA-N 2 1 230.355 1.886 20 0 BDADMP CC[N@@H+](CCCO)Cc1cccc2c1CC[NH2+]C2 ZINC000662257083 409557103 /nfs/dbraw/zinc/55/71/03/409557103.db2.gz PMRCMAGFCLCZEB-UHFFFAOYSA-N 2 1 248.370 1.537 20 0 BDADMP CCc1nocc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000662264771 409559060 /nfs/dbraw/zinc/55/90/60/409559060.db2.gz LJNSIGFGKFOBQT-VHSXEESVSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000662264771 409559065 /nfs/dbraw/zinc/55/90/65/409559065.db2.gz LJNSIGFGKFOBQT-VHSXEESVSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1nocc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662266285 409565842 /nfs/dbraw/zinc/56/58/42/409565842.db2.gz LDUWIIKHBYLBGK-NXEZZACHSA-N 2 1 223.320 1.406 20 0 BDADMP CCc1nocc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662266285 409565849 /nfs/dbraw/zinc/56/58/49/409565849.db2.gz LDUWIIKHBYLBGK-NXEZZACHSA-N 2 1 223.320 1.406 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[NH2+]CC1)C1CCCCC1 ZINC000662241719 409528834 /nfs/dbraw/zinc/52/88/34/409528834.db2.gz WBNRDFGZOPJERN-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP CO[C@H](C[N@H+]1CCC[NH2+]CC1)C1CCCCC1 ZINC000662241719 409528840 /nfs/dbraw/zinc/52/88/40/409528840.db2.gz WBNRDFGZOPJERN-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000662247162 409545184 /nfs/dbraw/zinc/54/51/84/409545184.db2.gz UKRGGAIIMMZYNE-WCQYABFASA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662256058 409551271 /nfs/dbraw/zinc/55/12/71/409551271.db2.gz IZHHWEZDQJOHJN-ZDUSSCGKSA-N 2 1 238.375 1.770 20 0 BDADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CCOC2)CC1 ZINC000677988061 487610857 /nfs/dbraw/zinc/61/08/57/487610857.db2.gz LDMDGASERNCQGM-UHFFFAOYSA-N 2 1 249.358 1.694 20 0 BDADMP CCOC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523953 410175218 /nfs/dbraw/zinc/17/52/18/410175218.db2.gz IBKQJLPPIQBEKX-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000650709146 410338908 /nfs/dbraw/zinc/33/89/08/410338908.db2.gz GAKLCZJJDKVBEJ-KBPBESRZSA-N 3 1 237.391 1.047 20 0 BDADMP CC[N@@H+](CCCNCCC[NH3+])C1CCCCC1 ZINC000650710735 410339147 /nfs/dbraw/zinc/33/91/47/410339147.db2.gz YHVQXYXRYOSYCG-UHFFFAOYSA-N 2 1 241.423 1.970 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(N)nc2)[C@H]1CC[NH3+] ZINC000650712285 410342695 /nfs/dbraw/zinc/34/26/95/410342695.db2.gz ZBYOMUSONGPRQO-YPMHNXCESA-N 2 1 248.374 1.443 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000650740727 410374184 /nfs/dbraw/zinc/37/41/84/410374184.db2.gz PIVPCNOKKQGYGI-OLZOCXBDSA-N 2 1 229.412 1.680 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000650740727 410374186 /nfs/dbraw/zinc/37/41/86/410374186.db2.gz PIVPCNOKKQGYGI-OLZOCXBDSA-N 3 1 229.412 1.680 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000650740727 410374190 /nfs/dbraw/zinc/37/41/90/410374190.db2.gz PIVPCNOKKQGYGI-OLZOCXBDSA-N 3 1 229.412 1.680 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)c2ccccc21 ZINC000650747525 410386942 /nfs/dbraw/zinc/38/69/42/410386942.db2.gz BSYYBXZHBYFYIX-ZIAGYGMSSA-N 2 1 245.370 1.850 20 0 BDADMP C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000650747914 410387354 /nfs/dbraw/zinc/38/73/54/410387354.db2.gz KIKZPYNQMRIBLS-BNOWGMLFSA-N 2 1 245.370 1.753 20 0 BDADMP C[C@H](NCCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000650761642 410410236 /nfs/dbraw/zinc/41/02/36/410410236.db2.gz GDXCIGJOLOBSSH-WCQYABFASA-N 2 1 225.380 1.106 20 0 BDADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763140 410412384 /nfs/dbraw/zinc/41/23/84/410412384.db2.gz SGJWOEVMDIIODW-SNVBAGLBSA-N 2 1 236.363 1.758 20 0 BDADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000309291094 410747111 /nfs/dbraw/zinc/74/71/11/410747111.db2.gz VTIQGBDPMSYOGY-CHWSQXEVSA-N 2 1 230.396 1.664 20 0 BDADMP CC(C)[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309291094 410747115 /nfs/dbraw/zinc/74/71/15/410747115.db2.gz VTIQGBDPMSYOGY-CHWSQXEVSA-N 2 1 230.396 1.664 20 0 BDADMP CC(C)[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309291094 410747120 /nfs/dbraw/zinc/74/71/20/410747120.db2.gz VTIQGBDPMSYOGY-CHWSQXEVSA-N 2 1 230.396 1.664 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000665273841 410743120 /nfs/dbraw/zinc/74/31/20/410743120.db2.gz FLIVTRNSRDDYQT-WOPDTQHZSA-N 2 1 213.369 1.186 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000665273841 410743128 /nfs/dbraw/zinc/74/31/28/410743128.db2.gz FLIVTRNSRDDYQT-WOPDTQHZSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1nccn1C ZINC000665283960 410766677 /nfs/dbraw/zinc/76/66/77/410766677.db2.gz XWLQIIXGPSOTKG-SRVKXCTJSA-N 2 1 236.363 1.459 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(C)C[C@H]1CN ZINC000394865966 410829415 /nfs/dbraw/zinc/82/94/15/410829415.db2.gz UGSVVBXYDHBKHT-HZSPNIEDSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(C)C[C@H]1CN ZINC000394865966 410829421 /nfs/dbraw/zinc/82/94/21/410829421.db2.gz UGSVVBXYDHBKHT-HZSPNIEDSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H](NC[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396458299 410881955 /nfs/dbraw/zinc/88/19/55/410881955.db2.gz OGYMXMUNIAEWDK-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(N)c1 ZINC000653299416 410818627 /nfs/dbraw/zinc/81/86/27/410818627.db2.gz SUAAUWQMZRGCLT-GXFFZTMASA-N 2 1 219.332 1.580 20 0 BDADMP CC(C)OCCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000309393816 167212196 /nfs/dbraw/zinc/21/21/96/167212196.db2.gz GHPCRZFHKIYJNI-GFCCVEGCSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000309393816 167212198 /nfs/dbraw/zinc/21/21/98/167212198.db2.gz GHPCRZFHKIYJNI-GFCCVEGCSA-N 2 1 214.353 1.615 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367422441 167216261 /nfs/dbraw/zinc/21/62/61/167216261.db2.gz GKZQOVWTDSVGFJ-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367422441 167216264 /nfs/dbraw/zinc/21/62/64/167216264.db2.gz GKZQOVWTDSVGFJ-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000367422441 167216266 /nfs/dbraw/zinc/21/62/66/167216266.db2.gz GKZQOVWTDSVGFJ-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367422441 167216269 /nfs/dbraw/zinc/21/62/69/167216269.db2.gz GKZQOVWTDSVGFJ-KBPBESRZSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1cc(NCC2([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000397823675 410937004 /nfs/dbraw/zinc/93/70/04/410937004.db2.gz KUEHJBZNRWZMIT-UHFFFAOYSA-N 2 1 220.320 1.021 20 0 BDADMP Cc1cccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000399959692 411071107 /nfs/dbraw/zinc/07/11/07/411071107.db2.gz YTEFJKVWHVBWDZ-BETUJISGSA-N 2 1 231.343 1.084 20 0 BDADMP CC(C)C[C@H](C)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000300887249 411127758 /nfs/dbraw/zinc/12/77/58/411127758.db2.gz JMDMHBPPDMDZIC-AVGNSLFASA-N 2 1 228.380 1.717 20 0 BDADMP CC(C)C[C@H](C)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000300887249 411127760 /nfs/dbraw/zinc/12/77/60/411127760.db2.gz JMDMHBPPDMDZIC-AVGNSLFASA-N 2 1 228.380 1.717 20 0 BDADMP c1c2cnccc2oc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000651651807 411132932 /nfs/dbraw/zinc/13/29/32/411132932.db2.gz LGZPQCRAIKPHBV-VXGBXAGGSA-N 2 1 243.310 1.479 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000651865148 411148095 /nfs/dbraw/zinc/14/80/95/411148095.db2.gz OVHNRCVCWAGKTI-QWHCGFSZSA-N 2 1 228.380 1.731 20 0 BDADMP C[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000082666706 411152226 /nfs/dbraw/zinc/15/22/26/411152226.db2.gz XPDZAJONMBGHEB-ZDUSSCGKSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000082666706 411152228 /nfs/dbraw/zinc/15/22/28/411152228.db2.gz XPDZAJONMBGHEB-ZDUSSCGKSA-N 2 1 219.332 1.656 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)CC[N@@H+]1C ZINC000657890286 411154897 /nfs/dbraw/zinc/15/48/97/411154897.db2.gz PBLAIWODSNMLND-AGIUHOORSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)CC[N@H+]1C ZINC000657890286 411154903 /nfs/dbraw/zinc/15/49/03/411154903.db2.gz PBLAIWODSNMLND-AGIUHOORSA-N 2 1 238.375 1.770 20 0 BDADMP CC(C)[NH2+][C@@H]1CCCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000300691287 411125033 /nfs/dbraw/zinc/12/50/33/411125033.db2.gz SBBPJDVSPAYOAG-ZIAGYGMSSA-N 2 1 239.407 1.543 20 0 BDADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2cccs2)C1 ZINC000401682201 411171070 /nfs/dbraw/zinc/17/10/70/411171070.db2.gz SRVNRDPIJYNXPO-MNOVXSKESA-N 2 1 224.373 1.878 20 0 BDADMP COC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C1CC1 ZINC000652221973 411175731 /nfs/dbraw/zinc/17/57/31/411175731.db2.gz BCWRHCRBDCUXOX-AWEZNQCLSA-N 2 1 242.407 1.979 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC2)CCO1 ZINC000655754900 411184478 /nfs/dbraw/zinc/18/44/78/411184478.db2.gz XMOPJAOBRMRNOD-OLZOCXBDSA-N 2 1 226.364 1.629 20 0 BDADMP Cc1nccn1CC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700451 411191364 /nfs/dbraw/zinc/19/13/64/411191364.db2.gz MKOPOMWKQLGZAB-CHWSQXEVSA-N 2 1 235.331 1.160 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000656193302 411200402 /nfs/dbraw/zinc/20/04/02/411200402.db2.gz FKXNKXBVLAPIMM-OBJOEFQTSA-N 2 1 233.359 1.600 20 0 BDADMP COCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000656200021 411205070 /nfs/dbraw/zinc/20/50/70/411205070.db2.gz IJVHIZPPNUNCQR-QWRGUYRKSA-N 2 1 212.337 1.001 20 0 BDADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000656201234 411205824 /nfs/dbraw/zinc/20/58/24/411205824.db2.gz LADZTLZSCVLJQC-OBJOEFQTSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000656201233 411206347 /nfs/dbraw/zinc/20/63/47/411206347.db2.gz LADZTLZSCVLJQC-MBNYWOFBSA-N 2 1 233.359 1.743 20 0 BDADMP CC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345542 411208931 /nfs/dbraw/zinc/20/89/31/411208931.db2.gz DVFOUTUUEUAMCP-SDDRHHMPSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000656211967 411210896 /nfs/dbraw/zinc/21/08/96/411210896.db2.gz UNHJDQFUEDMKTK-TXEJJXNPSA-N 2 1 234.347 1.846 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1(C)CC1 ZINC000310226847 411227115 /nfs/dbraw/zinc/22/71/15/411227115.db2.gz GXBCTAHBSTYIQL-CHWSQXEVSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000310226847 411227117 /nfs/dbraw/zinc/22/71/17/411227117.db2.gz GXBCTAHBSTYIQL-CHWSQXEVSA-N 2 1 242.407 1.808 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000310226847 411227118 /nfs/dbraw/zinc/22/71/18/411227118.db2.gz GXBCTAHBSTYIQL-CHWSQXEVSA-N 2 1 242.407 1.808 20 0 BDADMP CC[C@H]1C[N@@H+](CCn2cc(C)cn2)CC[C@H]1[NH3+] ZINC000310311742 411232588 /nfs/dbraw/zinc/23/25/88/411232588.db2.gz UYGJWOBALFCNKT-QWHCGFSZSA-N 2 1 236.363 1.251 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422905652 411235065 /nfs/dbraw/zinc/23/50/65/411235065.db2.gz IMXCFWQGLMOQCP-FRRDWIJNSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H]1Cc2[nH+]cn(C[C@@H]3CC[NH2+]C3)c2C[C@@H]1C ZINC000310411535 411236796 /nfs/dbraw/zinc/23/67/96/411236796.db2.gz LWUANEVCASQWAA-GRYCIOLGSA-N 2 1 233.359 1.863 20 0 BDADMP Cc1nc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cs1 ZINC000423307179 411238667 /nfs/dbraw/zinc/23/86/67/411238667.db2.gz MTRKXYNYZYHRER-HTQZYQBOSA-N 2 1 213.350 1.697 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1(CO)CC1 ZINC000658151986 411267004 /nfs/dbraw/zinc/26/70/04/411267004.db2.gz CTVMOINOVVRXFW-LLVKDONJSA-N 2 1 238.375 1.364 20 0 BDADMP CC(C)OCCC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401659276 411273699 /nfs/dbraw/zinc/27/36/99/411273699.db2.gz WNTATYFKUKAIJW-NWDGAFQWSA-N 2 1 214.353 1.389 20 0 BDADMP COc1ccccc1CC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401659335 411273754 /nfs/dbraw/zinc/27/37/54/411273754.db2.gz WTWJKSBQFZDDGR-JSGCOSHPSA-N 2 1 248.370 1.825 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000658170236 411280436 /nfs/dbraw/zinc/28/04/36/411280436.db2.gz SXJQCWPLRJPNCF-RVMXOQNASA-N 2 1 226.364 1.484 20 0 BDADMP c1c(C[NH+]2CCCCC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656469052 411281042 /nfs/dbraw/zinc/28/10/42/411281042.db2.gz ZPTLNNBLLMDFFF-CYBMUJFWSA-N 2 1 249.362 1.189 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889762 411285854 /nfs/dbraw/zinc/28/58/54/411285854.db2.gz QMIRMCQQHAWJDK-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COCCC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000062036314 411301575 /nfs/dbraw/zinc/30/15/75/411301575.db2.gz ZVFUJBMSHODQNF-UHFFFAOYSA-N 2 1 228.380 1.735 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000658239480 411308217 /nfs/dbraw/zinc/30/82/17/411308217.db2.gz VIGDNCWRUJMWAG-CHWSQXEVSA-N 2 1 248.374 1.792 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000658239480 411308220 /nfs/dbraw/zinc/30/82/20/411308220.db2.gz VIGDNCWRUJMWAG-CHWSQXEVSA-N 2 1 248.374 1.792 20 0 BDADMP CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@H]1CCCOC1 ZINC000402727408 411310499 /nfs/dbraw/zinc/31/04/99/411310499.db2.gz ZTBTWJHDXFSOGJ-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H]1CCCOC1 ZINC000402727408 411310502 /nfs/dbraw/zinc/31/05/02/411310502.db2.gz ZTBTWJHDXFSOGJ-OLZOCXBDSA-N 2 1 228.380 1.861 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)CC(C)(C)CO ZINC000653724227 411249459 /nfs/dbraw/zinc/24/94/59/411249459.db2.gz MWUQITKETUZUFM-UHFFFAOYSA-N 2 1 239.363 1.303 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC(C)(C)CO ZINC000653724227 411249461 /nfs/dbraw/zinc/24/94/61/411249461.db2.gz MWUQITKETUZUFM-UHFFFAOYSA-N 2 1 239.363 1.303 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)[C@H](CC)CO1 ZINC000403766163 411358455 /nfs/dbraw/zinc/35/84/55/411358455.db2.gz BJQSQAKJSWRMCI-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H](CC)CO1 ZINC000403766163 411358459 /nfs/dbraw/zinc/35/84/59/411358459.db2.gz BJQSQAKJSWRMCI-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403851489 411363456 /nfs/dbraw/zinc/36/34/56/411363456.db2.gz WRCSRLIGLWIKNJ-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)CC(C)(C)[NH3+] ZINC000656785682 411365112 /nfs/dbraw/zinc/36/51/12/411365112.db2.gz PNZYRKSAKCBLGH-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP CC[N@H+]1CC[C@H](NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000656789595 411368998 /nfs/dbraw/zinc/36/89/98/411368998.db2.gz RSXZCJCXHVYNSI-STQMWFEESA-N 2 1 239.407 1.578 20 0 BDADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)no1 ZINC000063527719 411371608 /nfs/dbraw/zinc/37/16/08/411371608.db2.gz JELWAWVPLRUHFN-UHFFFAOYSA-N 2 1 249.358 1.901 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@@]3(C)CC[NH2+]C3)C[C@@H]21 ZINC000261555108 168012461 /nfs/dbraw/zinc/01/24/61/168012461.db2.gz URZTWXFQMHGSRS-LOWVWBTDSA-N 2 1 208.349 1.574 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)O1 ZINC000401842387 411347565 /nfs/dbraw/zinc/34/75/65/411347565.db2.gz OSIJLZHOYCVCBL-QCNOEVLYSA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CCCN1CCC(C)CC1 ZINC000336704505 168178935 /nfs/dbraw/zinc/17/89/35/168178935.db2.gz KRDQYGUUNDAUGL-CQSZACIVSA-N 2 1 241.423 1.825 20 0 BDADMP CCC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365377470 168202963 /nfs/dbraw/zinc/20/29/63/168202963.db2.gz FXKITSRATKNNNV-GFCCVEGCSA-N 2 1 226.364 1.772 20 0 BDADMP CCC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365377470 168202964 /nfs/dbraw/zinc/20/29/64/168202964.db2.gz FXKITSRATKNNNV-GFCCVEGCSA-N 2 1 226.364 1.772 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000309433515 411383675 /nfs/dbraw/zinc/38/36/75/411383675.db2.gz MTDTULINGGQIEY-MFKMUULPSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000309433515 411383678 /nfs/dbraw/zinc/38/36/78/411383678.db2.gz MTDTULINGGQIEY-MFKMUULPSA-N 2 1 226.364 1.220 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CO1 ZINC000657294485 411456005 /nfs/dbraw/zinc/45/60/05/411456005.db2.gz REXGNRDIMZTHAH-NWDGAFQWSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000657308328 411457837 /nfs/dbraw/zinc/45/78/37/411457837.db2.gz ZLDKPKVDGYBSDE-MBNYWOFBSA-N 2 1 238.375 1.628 20 0 BDADMP COCCOCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404384940 411392602 /nfs/dbraw/zinc/39/26/02/411392602.db2.gz NWOVVTMSFZSPSD-STQMWFEESA-N 2 1 244.379 1.099 20 0 BDADMP COCCCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404427705 411396112 /nfs/dbraw/zinc/39/61/12/411396112.db2.gz MRNCJLMHBREFJU-STQMWFEESA-N 2 1 228.380 1.862 20 0 BDADMP COC[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404491664 411399117 /nfs/dbraw/zinc/39/91/17/411399117.db2.gz BGEWAIGNIFYKKZ-FRRDWIJNSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H]1C[N@H+](CC[NH3+])CCc2ccccc21 ZINC000404707571 411404956 /nfs/dbraw/zinc/40/49/56/411404956.db2.gz KHRYYGBXYBPGKC-NSHDSACASA-N 2 1 204.317 1.607 20 0 BDADMP C[C@H]1C[N@@H+](CC[NH3+])CCc2ccccc21 ZINC000404707571 411404958 /nfs/dbraw/zinc/40/49/58/411404958.db2.gz KHRYYGBXYBPGKC-NSHDSACASA-N 2 1 204.317 1.607 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000653593572 411427751 /nfs/dbraw/zinc/42/77/51/411427751.db2.gz GAKVCCUTEQSPCU-GFCCVEGCSA-N 2 1 226.364 1.175 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H](C)C1 ZINC000653642422 411452436 /nfs/dbraw/zinc/45/24/36/411452436.db2.gz DEPCMSIYKVXBCS-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H](C)C1 ZINC000653642422 411452437 /nfs/dbraw/zinc/45/24/37/411452437.db2.gz DEPCMSIYKVXBCS-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000653642422 411452438 /nfs/dbraw/zinc/45/24/38/411452438.db2.gz DEPCMSIYKVXBCS-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000653642422 411452440 /nfs/dbraw/zinc/45/24/40/411452440.db2.gz DEPCMSIYKVXBCS-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CO[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000659850907 411476922 /nfs/dbraw/zinc/47/69/22/411476922.db2.gz WONXYAVVUSYQHF-MJBXVCDLSA-N 2 1 238.375 1.343 20 0 BDADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414978534 411478294 /nfs/dbraw/zinc/47/82/94/411478294.db2.gz MGXCAAKIUWFZAB-LBPRGKRZSA-N 2 1 245.330 1.094 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](F)C2)CC1 ZINC000335604837 169957271 /nfs/dbraw/zinc/95/72/71/169957271.db2.gz UBJYWOZQMWTWKG-CMPLNLGQSA-N 2 1 214.328 1.951 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336745831 411504086 /nfs/dbraw/zinc/50/40/86/411504086.db2.gz BKCGJVVVRXPLCB-NOOOWODRSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336745831 411504089 /nfs/dbraw/zinc/50/40/89/411504089.db2.gz BKCGJVVVRXPLCB-NOOOWODRSA-N 2 1 214.353 1.076 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000655805853 411520465 /nfs/dbraw/zinc/52/04/65/411520465.db2.gz MEEPJYPGVHKSKF-SYQHCUMBSA-N 3 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCN1C ZINC000655805853 411520467 /nfs/dbraw/zinc/52/04/67/411520467.db2.gz MEEPJYPGVHKSKF-SYQHCUMBSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000050595869 170008097 /nfs/dbraw/zinc/00/80/97/170008097.db2.gz HFPNKLHBXNRHLT-LBPRGKRZSA-N 2 1 221.348 1.457 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000319508464 170008675 /nfs/dbraw/zinc/00/86/75/170008675.db2.gz XGCGZMJGKOGPLT-ZDUSSCGKSA-N 2 1 240.391 1.877 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCO)C[C@@H]1C ZINC000336650803 170009216 /nfs/dbraw/zinc/00/92/16/170009216.db2.gz TVUZJAMTSLRBLA-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCO)C[C@@H]1C ZINC000336650803 170009218 /nfs/dbraw/zinc/00/92/18/170009218.db2.gz TVUZJAMTSLRBLA-NWDGAFQWSA-N 2 1 214.353 1.173 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCO)C[C@H]1C ZINC000336714548 170010137 /nfs/dbraw/zinc/01/01/37/170010137.db2.gz UAEJZQYNOVVHIB-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCO)C[C@H]1C ZINC000336714548 170010138 /nfs/dbraw/zinc/01/01/38/170010138.db2.gz UAEJZQYNOVVHIB-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCO)C[C@H]1C ZINC000336714548 170010139 /nfs/dbraw/zinc/01/01/39/170010139.db2.gz UAEJZQYNOVVHIB-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)C)C[C@@H]1C ZINC000336710123 170018058 /nfs/dbraw/zinc/01/80/58/170018058.db2.gz OUVFDSAHVKAFNK-IHRRRGAJSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)C(C)C)C[C@@H]1C ZINC000336710123 170018059 /nfs/dbraw/zinc/01/80/59/170018059.db2.gz OUVFDSAHVKAFNK-IHRRRGAJSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)C(C)C)C[C@@H]1C ZINC000336710123 170018060 /nfs/dbraw/zinc/01/80/60/170018060.db2.gz OUVFDSAHVKAFNK-IHRRRGAJSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)O)[C@H](C)C1 ZINC000336693997 170018950 /nfs/dbraw/zinc/01/89/50/170018950.db2.gz SYKDGORQPBJIEC-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)O)[C@H](C)C1 ZINC000336693997 170018952 /nfs/dbraw/zinc/01/89/52/170018952.db2.gz SYKDGORQPBJIEC-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)O)[C@H](C)C1 ZINC000336693997 170018953 /nfs/dbraw/zinc/01/89/53/170018953.db2.gz SYKDGORQPBJIEC-WOPDTQHZSA-N 2 1 214.353 1.029 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCOC(C)C)[C@H](C)C1 ZINC000120531694 170020817 /nfs/dbraw/zinc/02/08/17/170020817.db2.gz DUSBSCPYPNTXIF-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037240181 170108232 /nfs/dbraw/zinc/10/82/32/170108232.db2.gz NYPRXFOOYSTCQL-GFCCVEGCSA-N 2 1 212.337 1.239 20 0 BDADMP CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037240179 170108848 /nfs/dbraw/zinc/10/88/48/170108848.db2.gz NYPRXFOOYSTCQL-LBPRGKRZSA-N 2 1 212.337 1.239 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000314012729 411572878 /nfs/dbraw/zinc/57/28/78/411572878.db2.gz QYMBLRUIIQZJBU-UONOGXRCSA-N 2 1 249.358 1.510 20 0 BDADMP CCOCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336655777 170374801 /nfs/dbraw/zinc/37/48/01/170374801.db2.gz AAMJCZMEFGUDAM-GFCCVEGCSA-N 2 1 212.337 1.098 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000308878685 170375930 /nfs/dbraw/zinc/37/59/30/170375930.db2.gz CFXLJPYGXQVCRZ-QJPTWQEYSA-N 2 1 212.337 1.082 20 0 BDADMP CCOCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370013677 170398126 /nfs/dbraw/zinc/39/81/26/170398126.db2.gz ZPRDLMDPFFDUGJ-UHFFFAOYSA-N 2 1 240.391 1.831 20 0 BDADMP CO[C@@H](C[NH2+]C1CC[NH+](C)CC1)C1CCCC1 ZINC000657768371 411593722 /nfs/dbraw/zinc/59/37/22/411593722.db2.gz ZZAAMFGJCQMFJW-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657824312 411607644 /nfs/dbraw/zinc/60/76/44/411607644.db2.gz GHMFHLYKYCUBSO-ZDUSSCGKSA-N 2 1 238.375 1.772 20 0 BDADMP c1cc2n(n1)CCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000657824004 411607707 /nfs/dbraw/zinc/60/77/07/411607707.db2.gz NKCRETOUNIVIOG-ZDUSSCGKSA-N 2 1 248.374 1.794 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660651751 411610396 /nfs/dbraw/zinc/61/03/96/411610396.db2.gz CEFOHBWDAWEAFM-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660651751 411610398 /nfs/dbraw/zinc/61/03/98/411610398.db2.gz CEFOHBWDAWEAFM-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660651751 411610400 /nfs/dbraw/zinc/61/04/00/411610400.db2.gz CEFOHBWDAWEAFM-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCCO1)C2 ZINC000660655065 411613177 /nfs/dbraw/zinc/61/31/77/411613177.db2.gz KGZUIUHWVHEEST-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCCO1)C2 ZINC000660655065 411613179 /nfs/dbraw/zinc/61/31/79/411613179.db2.gz KGZUIUHWVHEEST-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000660655065 411613180 /nfs/dbraw/zinc/61/31/80/411613180.db2.gz KGZUIUHWVHEEST-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659189 411614412 /nfs/dbraw/zinc/61/44/12/411614412.db2.gz NLYSBKXYQBSYSD-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659189 411614413 /nfs/dbraw/zinc/61/44/13/411614413.db2.gz NLYSBKXYQBSYSD-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659189 411614414 /nfs/dbraw/zinc/61/44/14/411614414.db2.gz NLYSBKXYQBSYSD-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP CC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660022 411615250 /nfs/dbraw/zinc/61/52/50/411615250.db2.gz SLEBMCJAUFAYRZ-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660022 411615251 /nfs/dbraw/zinc/61/52/51/411615251.db2.gz SLEBMCJAUFAYRZ-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660022 411615252 /nfs/dbraw/zinc/61/52/52/411615252.db2.gz SLEBMCJAUFAYRZ-QWHCGFSZSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCCO)C2 ZINC000660658160 411615367 /nfs/dbraw/zinc/61/53/67/411615367.db2.gz DAZQKWLUHQUFEA-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCCO)C2 ZINC000660658160 411615370 /nfs/dbraw/zinc/61/53/70/411615370.db2.gz DAZQKWLUHQUFEA-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCCO)C2 ZINC000660658160 411615371 /nfs/dbraw/zinc/61/53/71/411615371.db2.gz DAZQKWLUHQUFEA-CQSZACIVSA-N 2 1 240.391 1.567 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCOCCF)[C@H]2CCC[C@H]21 ZINC000663459426 411661908 /nfs/dbraw/zinc/66/19/08/411661908.db2.gz CEJQNCUAHUTXNH-FRRDWIJNSA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCOCCF)CC[N@H+]1C ZINC000663460672 411662541 /nfs/dbraw/zinc/66/25/41/411662541.db2.gz CMFSLRZFOUERLC-MNOVXSKESA-N 2 1 218.316 1.045 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCOCCF)[C@H]2CCC[C@@H]21 ZINC000663459424 411662995 /nfs/dbraw/zinc/66/29/95/411662995.db2.gz CEJQNCUAHUTXNH-AGIUHOORSA-N 2 1 244.354 1.435 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1C[C@@]13C[C@@H]1C[NH2+]C3)CC[NH2+]CC2 ZINC000663497188 411678982 /nfs/dbraw/zinc/67/89/82/411678982.db2.gz LGDJNSWINZORPG-NFAWXSAZSA-N 3 1 249.402 1.060 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000663511083 411693127 /nfs/dbraw/zinc/69/31/27/411693127.db2.gz VDZLKBIAKMMJBI-NWDGAFQWSA-N 2 1 236.359 1.824 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC1CCOCC1 ZINC000663512091 411694916 /nfs/dbraw/zinc/69/49/16/411694916.db2.gz FHYDBRYJKDZTPR-GHMZBOCLSA-N 2 1 214.353 1.389 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000663513537 411695050 /nfs/dbraw/zinc/69/50/50/411695050.db2.gz KZHLXOQOUQXBAQ-JGVFFNPUSA-N 2 1 212.259 1.915 20 0 BDADMP CC(C)(CO)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132210533 411840870 /nfs/dbraw/zinc/84/08/70/411840870.db2.gz ZNXWAFNEWXTVFJ-OLZOCXBDSA-N 2 1 234.343 1.739 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700503 411844828 /nfs/dbraw/zinc/84/48/28/411844828.db2.gz MRPVPSHZZABHFL-KGLIPLIRSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700503 411844832 /nfs/dbraw/zinc/84/48/32/411844832.db2.gz MRPVPSHZZABHFL-KGLIPLIRSA-N 2 1 249.358 1.550 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661720382 411857502 /nfs/dbraw/zinc/85/75/02/411857502.db2.gz BGHUWDVJERTLGI-QWHCGFSZSA-N 2 1 235.331 1.038 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661720382 411857504 /nfs/dbraw/zinc/85/75/04/411857504.db2.gz BGHUWDVJERTLGI-QWHCGFSZSA-N 2 1 235.331 1.038 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661824762 411892180 /nfs/dbraw/zinc/89/21/80/411892180.db2.gz COZGOCLZZSHWNO-OLZOCXBDSA-N 2 1 249.358 1.246 20 0 BDADMP CC(C)CC1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000662066335 411967808 /nfs/dbraw/zinc/96/78/08/411967808.db2.gz JQQCRLGCZGKHOJ-ZDUSSCGKSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151735 412008553 /nfs/dbraw/zinc/00/85/53/412008553.db2.gz JWZXLWYWXYJAMT-OCCSQVGLSA-N 2 1 240.391 1.706 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030211 411945992 /nfs/dbraw/zinc/94/59/92/411945992.db2.gz LHUKBMFCPQSQGF-CHWSQXEVSA-N 2 1 249.358 1.321 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030211 411945996 /nfs/dbraw/zinc/94/59/96/411945996.db2.gz LHUKBMFCPQSQGF-CHWSQXEVSA-N 2 1 249.358 1.321 20 0 BDADMP CO[C@H](C[N@@H+]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000662243774 412039964 /nfs/dbraw/zinc/03/99/64/412039964.db2.gz DLZTUQYFGHOGET-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000662243774 412039967 /nfs/dbraw/zinc/03/99/67/412039967.db2.gz DLZTUQYFGHOGET-CHWSQXEVSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662253454 412049365 /nfs/dbraw/zinc/04/93/65/412049365.db2.gz WBKXNSPXHZYRMJ-ZDUSSCGKSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC000662253135 412049426 /nfs/dbraw/zinc/04/94/26/412049426.db2.gz WLSDUSCUYILEOF-VXGBXAGGSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253474 412049988 /nfs/dbraw/zinc/04/99/88/412049988.db2.gz WGZCHNKODHACDB-MNOVXSKESA-N 2 1 212.337 1.238 20 0 BDADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000662255412 412050927 /nfs/dbraw/zinc/05/09/27/412050927.db2.gz OZKKJVVAZYSICU-FRRDWIJNSA-N 2 1 236.359 1.524 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255472 412051052 /nfs/dbraw/zinc/05/10/52/412051052.db2.gz PTTWEOACDYWJSY-NEPJUHHUSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662257450 412052306 /nfs/dbraw/zinc/05/23/06/412052306.db2.gz SDPUCDSOJXLNGA-LBPRGKRZSA-N 2 1 224.348 1.382 20 0 BDADMP Cc1nocc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000662270960 412062626 /nfs/dbraw/zinc/06/26/26/412062626.db2.gz COMSRNSBFTXPIW-LLVKDONJSA-N 2 1 223.320 1.544 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000662278508 412071641 /nfs/dbraw/zinc/07/16/41/412071641.db2.gz YWRPXQMHVBJHHS-CHWFTXMASA-N 2 1 248.317 1.387 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251579595 171114002 /nfs/dbraw/zinc/11/40/02/171114002.db2.gz CGCBKRNMNGPRKH-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251579595 171114003 /nfs/dbraw/zinc/11/40/03/171114003.db2.gz CGCBKRNMNGPRKH-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000310523216 171118459 /nfs/dbraw/zinc/11/84/59/171118459.db2.gz VEMJETIDHNIXOD-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310523216 171118460 /nfs/dbraw/zinc/11/84/60/171118460.db2.gz VEMJETIDHNIXOD-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310523216 171118461 /nfs/dbraw/zinc/11/84/61/171118461.db2.gz VEMJETIDHNIXOD-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310523216 171118463 /nfs/dbraw/zinc/11/84/63/171118463.db2.gz VEMJETIDHNIXOD-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310523216 171118465 /nfs/dbraw/zinc/11/84/65/171118465.db2.gz VEMJETIDHNIXOD-BZPMIXESSA-N 2 1 240.391 1.562 20 0 BDADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000305749598 171126512 /nfs/dbraw/zinc/12/65/12/171126512.db2.gz XPHYRCVKTQBSTD-YIYPIFLZSA-N 2 1 242.407 1.713 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC1CC=CC1 ZINC000662277586 412069975 /nfs/dbraw/zinc/06/99/75/412069975.db2.gz QGLXIRVLMMLNBF-MDZLAQPJSA-N 2 1 208.349 1.929 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000662278510 412070858 /nfs/dbraw/zinc/07/08/58/412070858.db2.gz YWRPXQMHVBJHHS-GWOFURMSSA-N 2 1 248.317 1.387 20 0 BDADMP COC[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])OC ZINC000662285311 412077147 /nfs/dbraw/zinc/07/71/47/412077147.db2.gz JJFNYFSUVPYCRL-AVGNSLFASA-N 2 1 244.379 1.097 20 0 BDADMP C[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1C[NH3+] ZINC000662282754 412072920 /nfs/dbraw/zinc/07/29/20/412072920.db2.gz QJKQRUWKKLYZLP-OUAUKWLOSA-N 2 1 248.317 1.327 20 0 BDADMP CC[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336657382 171272407 /nfs/dbraw/zinc/27/24/07/171272407.db2.gz LVVLFYGGMIKREI-WCQYABFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336657382 171272408 /nfs/dbraw/zinc/27/24/08/171272408.db2.gz LVVLFYGGMIKREI-WCQYABFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336657382 171272409 /nfs/dbraw/zinc/27/24/09/171272409.db2.gz LVVLFYGGMIKREI-WCQYABFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336657382 171272410 /nfs/dbraw/zinc/27/24/10/171272410.db2.gz LVVLFYGGMIKREI-WCQYABFASA-N 2 1 228.380 1.419 20 0 BDADMP CCO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000662283591 412076055 /nfs/dbraw/zinc/07/60/55/412076055.db2.gz AYPVMNQLDHNEER-XVIXHAIJSA-N 2 1 238.375 1.328 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358230049 171296861 /nfs/dbraw/zinc/29/68/61/171296861.db2.gz GNLWZALNCBPCME-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358230049 171296864 /nfs/dbraw/zinc/29/68/64/171296864.db2.gz GNLWZALNCBPCME-MJBXVCDLSA-N 2 1 242.407 1.857 20 0 BDADMP CCc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285981 412078309 /nfs/dbraw/zinc/07/83/09/412078309.db2.gz DGYFRRCGNHJNEJ-UHFFFAOYSA-N 2 1 248.370 1.453 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292071 412080219 /nfs/dbraw/zinc/08/02/19/412080219.db2.gz LVJDLYHWRTXIBA-DGCLKSJQSA-N 3 1 225.380 1.045 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](C)CC1)OC ZINC000362975195 171368555 /nfs/dbraw/zinc/36/85/55/171368555.db2.gz DQEZGOSURHLWQO-WCQYABFASA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H](N)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294693 412082164 /nfs/dbraw/zinc/08/21/64/412082164.db2.gz RVWOFMLASURNBT-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H]([NH3+])CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294693 412082167 /nfs/dbraw/zinc/08/21/67/412082167.db2.gz RVWOFMLASURNBT-YPMHNXCESA-N 2 1 225.380 1.045 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000662299294 412086365 /nfs/dbraw/zinc/08/63/65/412086365.db2.gz NNGNZONXFJQWAG-HNNXBMFYSA-N 2 1 248.370 1.324 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2ccc(C)cc2C1 ZINC000662299294 412086369 /nfs/dbraw/zinc/08/63/69/412086369.db2.gz NNGNZONXFJQWAG-HNNXBMFYSA-N 2 1 248.370 1.324 20 0 BDADMP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@H]1CCCCO1 ZINC000662305570 412090687 /nfs/dbraw/zinc/09/06/87/412090687.db2.gz JSXGFZFASFUPLL-OTTFEQOBSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]CC12CC(C1)C[N@H+]2CC[C@H]1CCCCO1 ZINC000662305570 412090691 /nfs/dbraw/zinc/09/06/91/412090691.db2.gz JSXGFZFASFUPLL-OTTFEQOBSA-N 2 1 224.348 1.369 20 0 BDADMP FCC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000662312187 412094119 /nfs/dbraw/zinc/09/41/19/412094119.db2.gz XAZLQCWLYBTLIF-NWDGAFQWSA-N 2 1 214.328 1.668 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)[C@@H]1CCC[NH3+] ZINC000662314378 412096679 /nfs/dbraw/zinc/09/66/79/412096679.db2.gz CFHGSXHEPAYOSA-MGPQQGTHSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[NH3+] ZINC000662317271 412097848 /nfs/dbraw/zinc/09/78/48/412097848.db2.gz PMGQXJNLHFDAKF-VXGBXAGGSA-N 3 1 213.369 1.175 20 0 BDADMP c1cnc2c(n1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662317983 412099017 /nfs/dbraw/zinc/09/90/17/412099017.db2.gz VJGWQNQFYLVJBK-LBPRGKRZSA-N 2 1 246.358 1.224 20 0 BDADMP CC[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321250 412099777 /nfs/dbraw/zinc/09/97/77/412099777.db2.gz ABDOHHFZIOJOOE-STQMWFEESA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319928 412100697 /nfs/dbraw/zinc/10/06/97/412100697.db2.gz QSWXCPJDBLBMOX-LBPRGKRZSA-N 2 1 214.353 1.437 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)CC1=CCSC1 ZINC000662327307 412104491 /nfs/dbraw/zinc/10/44/91/412104491.db2.gz MVXVOVPAUHCJBG-UHFFFAOYSA-N 2 1 240.416 1.981 20 0 BDADMP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1CC1(C)C)C1CC1 ZINC000662345456 412113909 /nfs/dbraw/zinc/11/39/09/412113909.db2.gz YRNSSGHNXZLNKG-DGCLKSJQSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1CC1(C)C)C1CC1 ZINC000662345456 412113911 /nfs/dbraw/zinc/11/39/11/412113911.db2.gz YRNSSGHNXZLNKG-DGCLKSJQSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CC1(C)C ZINC000662345456 412113913 /nfs/dbraw/zinc/11/39/13/412113913.db2.gz YRNSSGHNXZLNKG-DGCLKSJQSA-N 2 1 240.391 1.419 20 0 BDADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CC1(C)C ZINC000662345456 412113915 /nfs/dbraw/zinc/11/39/15/412113915.db2.gz YRNSSGHNXZLNKG-DGCLKSJQSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236813 412177006 /nfs/dbraw/zinc/17/70/06/412177006.db2.gz VBTIMUMDIFLIKX-SDDRHHMPSA-N 2 1 227.396 1.575 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]C/C=C/CO)c2ccccc21 ZINC000665238846 412180414 /nfs/dbraw/zinc/18/04/14/412180414.db2.gz FZQUDHUGIDULQQ-CDJBXZAQSA-N 2 1 218.300 1.269 20 0 BDADMP COCc1csc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000665263687 412208087 /nfs/dbraw/zinc/20/80/87/412208087.db2.gz RXIZEJJDDRZRQI-VXGBXAGGSA-N 2 1 240.372 1.864 20 0 BDADMP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000662410223 412154993 /nfs/dbraw/zinc/15/49/93/412154993.db2.gz PQAOUYXSIYRZTK-LBPRGKRZSA-N 2 1 247.342 1.121 20 0 BDADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccn1 ZINC000665232968 412172948 /nfs/dbraw/zinc/17/29/48/412172948.db2.gz YMRORLCSBNAQIU-SCRDCRAPSA-N 2 1 233.359 1.773 20 0 BDADMP CCC[N@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000665274610 412216991 /nfs/dbraw/zinc/21/69/91/412216991.db2.gz UKMZCXYTGMCUMS-XQQFMLRXSA-N 2 1 225.380 1.201 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665274244 412217219 /nfs/dbraw/zinc/21/72/19/412217219.db2.gz MGQZTSFFPDPSFV-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665274244 412217224 /nfs/dbraw/zinc/21/72/24/412217224.db2.gz MGQZTSFFPDPSFV-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000665276100 412219240 /nfs/dbraw/zinc/21/92/40/412219240.db2.gz YLLVSYYIUMVANU-IACUBPJLSA-N 2 1 240.391 1.922 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665281773 412224712 /nfs/dbraw/zinc/22/47/12/412224712.db2.gz KOENTXNFXWZTKR-YNEHKIRRSA-N 3 1 227.396 1.338 20 0 BDADMP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1nccn1C ZINC000665281752 412226264 /nfs/dbraw/zinc/22/62/64/412226264.db2.gz KGZQXNZEUMIWFQ-NEPJUHHUSA-N 2 1 238.379 1.834 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cnccc1N ZINC000665281367 412226751 /nfs/dbraw/zinc/22/67/51/412226751.db2.gz AJVUNRNIVBBOBL-CMPLNLGQSA-N 2 1 236.363 1.518 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282169 412228110 /nfs/dbraw/zinc/22/81/10/412228110.db2.gz SEZIERWHFLOTJA-NWDGAFQWSA-N 2 1 238.379 1.927 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH2+]C)C12CCC2 ZINC000665295853 412233452 /nfs/dbraw/zinc/23/34/52/412233452.db2.gz KQQIMQVAGVOWEJ-SDDRHHMPSA-N 2 1 226.364 1.532 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH2+]C)C1(C)C ZINC000665296027 412243279 /nfs/dbraw/zinc/24/32/79/412243279.db2.gz MAYCQMZBDIROTR-GMTAPVOTSA-N 2 1 214.353 1.388 20 0 BDADMP CCc1nn(C)cc1CN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000356291913 172041160 /nfs/dbraw/zinc/04/11/60/172041160.db2.gz WLVQLCWGDDDHID-ZWNOBZJWSA-N 2 1 236.363 1.022 20 0 BDADMP CCc1nn(C)cc1CN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000356291913 172041161 /nfs/dbraw/zinc/04/11/61/172041161.db2.gz WLVQLCWGDDDHID-ZWNOBZJWSA-N 2 1 236.363 1.022 20 0 BDADMP CCc1nocc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000339286274 172101150 /nfs/dbraw/zinc/10/11/50/172101150.db2.gz XQPQSBOPFBIVOK-ZYHUDNBSSA-N 2 1 237.347 1.809 20 0 BDADMP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000130891491 172166666 /nfs/dbraw/zinc/16/66/66/172166666.db2.gz CJBOWHNMVTVDFL-MJBXVCDLSA-N 2 1 248.374 1.462 20 0 BDADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[C@H]1O ZINC000352669586 173004395 /nfs/dbraw/zinc/00/43/95/173004395.db2.gz BBJDJFMQACOZJA-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[C@H]1O ZINC000352669586 173004396 /nfs/dbraw/zinc/00/43/96/173004396.db2.gz BBJDJFMQACOZJA-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[C@H]1O ZINC000352669586 173004399 /nfs/dbraw/zinc/00/43/99/173004399.db2.gz BBJDJFMQACOZJA-MGPQQGTHSA-N 2 1 240.391 1.706 20 0 BDADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000336644558 173050545 /nfs/dbraw/zinc/05/05/45/173050545.db2.gz GPYLKKFCILDCJS-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000336644558 173050547 /nfs/dbraw/zinc/05/05/47/173050547.db2.gz GPYLKKFCILDCJS-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000336644558 173050550 /nfs/dbraw/zinc/05/05/50/173050550.db2.gz GPYLKKFCILDCJS-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000336644558 173050554 /nfs/dbraw/zinc/05/05/54/173050554.db2.gz GPYLKKFCILDCJS-RYUDHWBXSA-N 2 1 212.337 1.191 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CO)C(C)(C)C ZINC000309555869 173054564 /nfs/dbraw/zinc/05/45/64/173054564.db2.gz JQRFOFSOCJEKHK-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(C)(C)O)[C@H]2C1 ZINC000375249102 173130748 /nfs/dbraw/zinc/13/07/48/173130748.db2.gz OCNGKBFDMONUDM-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CCC(C)(C)O)[C@H]2C1 ZINC000375249102 173130749 /nfs/dbraw/zinc/13/07/49/173130749.db2.gz OCNGKBFDMONUDM-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CCC(C)(C)O)[C@H]2C1 ZINC000375249102 173130750 /nfs/dbraw/zinc/13/07/50/173130750.db2.gz OCNGKBFDMONUDM-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(C)(C)O)[C@H]2C1 ZINC000375249102 173130751 /nfs/dbraw/zinc/13/07/51/173130751.db2.gz OCNGKBFDMONUDM-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CCCCCC2)C1 ZINC000358162308 173140051 /nfs/dbraw/zinc/14/00/51/173140051.db2.gz GZFFUQBQKVJESE-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CCCCCC2)C1 ZINC000358162308 173140054 /nfs/dbraw/zinc/14/00/54/173140054.db2.gz GZFFUQBQKVJESE-CQSZACIVSA-N 2 1 240.391 1.613 20 0 BDADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588223 173146795 /nfs/dbraw/zinc/14/67/95/173146795.db2.gz NOFHWFNVOUCDJN-GHMZBOCLSA-N 2 1 214.378 1.423 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]2C1 ZINC000376504935 173198229 /nfs/dbraw/zinc/19/82/29/173198229.db2.gz FMXWDRXGKHARKZ-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2C1 ZINC000376504935 173198231 /nfs/dbraw/zinc/19/82/31/173198231.db2.gz FMXWDRXGKHARKZ-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2C1 ZINC000376504935 173198233 /nfs/dbraw/zinc/19/82/33/173198233.db2.gz FMXWDRXGKHARKZ-TXEJJXNPSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2nccn2C)CC1 ZINC000070189702 173342710 /nfs/dbraw/zinc/34/27/10/173342710.db2.gz CHNKCCKKGNMSQD-UHFFFAOYSA-N 2 1 236.363 1.242 20 0 BDADMP C[NH2+]CCCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000269239235 173345261 /nfs/dbraw/zinc/34/52/61/173345261.db2.gz AOXQPAJDDCXABJ-UHFFFAOYSA-N 2 1 236.319 1.086 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000309741583 173347397 /nfs/dbraw/zinc/34/73/97/173347397.db2.gz HVWWQZJBTRUZBJ-GFCCVEGCSA-N 2 1 222.336 1.167 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000309741583 173347398 /nfs/dbraw/zinc/34/73/98/173347398.db2.gz HVWWQZJBTRUZBJ-GFCCVEGCSA-N 2 1 222.336 1.167 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000040591958 173379133 /nfs/dbraw/zinc/37/91/33/173379133.db2.gz AJSAWGDRFWKEMU-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000040591958 173379134 /nfs/dbraw/zinc/37/91/34/173379134.db2.gz AJSAWGDRFWKEMU-GFCCVEGCSA-N 2 1 219.332 1.513 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000063100464 173380560 /nfs/dbraw/zinc/38/05/60/173380560.db2.gz IEQRTCYLETXMLI-MRVPVSSYSA-N 2 1 210.243 1.480 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000063100464 173380562 /nfs/dbraw/zinc/38/05/62/173380562.db2.gz IEQRTCYLETXMLI-MRVPVSSYSA-N 2 1 210.243 1.480 20 0 BDADMP C[NH2+]C[C@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000070800281 173381577 /nfs/dbraw/zinc/38/15/77/173381577.db2.gz YLBQQWGKLITCIE-LLVKDONJSA-N 2 1 205.305 1.436 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000053033143 173381795 /nfs/dbraw/zinc/38/17/95/173381795.db2.gz JZDLYSKDBHDECT-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336651023 174074461 /nfs/dbraw/zinc/07/44/61/174074461.db2.gz HUCJJMIUJGEALW-VXGBXAGGSA-N 2 1 228.380 1.731 20 0 BDADMP COCC(C)(C)[NH2+]CCCn1cc[nH+]c1C ZINC000336772033 174082996 /nfs/dbraw/zinc/08/29/96/174082996.db2.gz UZPIJLFMPFWVAC-UHFFFAOYSA-N 2 1 225.336 1.596 20 0 BDADMP COCCCCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000336756273 174177231 /nfs/dbraw/zinc/17/72/31/174177231.db2.gz YLFPZTQWGXQGQY-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP COCCCCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000336756273 174177234 /nfs/dbraw/zinc/17/72/34/174177234.db2.gz YLFPZTQWGXQGQY-LBPRGKRZSA-N 2 1 214.353 1.616 20 0 BDADMP COCCCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000336745057 174179160 /nfs/dbraw/zinc/17/91/60/174179160.db2.gz QMJXUTWMQSSCLL-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000368617119 174201453 /nfs/dbraw/zinc/20/14/53/174201453.db2.gz GGMZTLXBEOATBV-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP COCCCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000336770713 174203745 /nfs/dbraw/zinc/20/37/45/174203745.db2.gz WVPBCYJTSKICNP-NSHDSACASA-N 2 1 200.326 1.130 20 0 BDADMP COCCC[N@H+](C)CCn1cc[nH+]c1C ZINC000270675483 174215091 /nfs/dbraw/zinc/21/50/91/174215091.db2.gz SPHNYKLGRMZYBZ-UHFFFAOYSA-N 2 1 211.309 1.160 20 0 BDADMP COCCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000270675483 174215094 /nfs/dbraw/zinc/21/50/94/174215094.db2.gz SPHNYKLGRMZYBZ-UHFFFAOYSA-N 2 1 211.309 1.160 20 0 BDADMP COCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339439195 174232714 /nfs/dbraw/zinc/23/27/14/174232714.db2.gz ZPBXXHYYWNWUHR-ZDUSSCGKSA-N 2 1 226.364 1.441 20 0 BDADMP COCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000101601101 174250842 /nfs/dbraw/zinc/25/08/42/174250842.db2.gz RUCONMVFPSLODG-QJPTWQEYSA-N 2 1 214.353 1.341 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000337376813 174396723 /nfs/dbraw/zinc/39/67/23/174396723.db2.gz AYBNCHMIRKFRME-JSGCOSHPSA-N 2 1 240.391 1.875 20 0 BDADMP COc1cc2[nH]c(CCC[NH3+])[nH+]c2cc1OC ZINC000011567880 175028161 /nfs/dbraw/zinc/02/81/61/175028161.db2.gz DGFVAONTSHLTCH-UHFFFAOYSA-N 2 1 235.287 1.471 20 0 BDADMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1F ZINC000036923668 175106767 /nfs/dbraw/zinc/10/67/67/175106767.db2.gz SFKIBWDPEOYIKG-UHFFFAOYSA-N 2 1 240.322 1.876 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000107936008 175260190 /nfs/dbraw/zinc/26/01/90/175260190.db2.gz PQSUTFOCNBHPOK-AAEUAGOBSA-N 2 1 234.343 1.864 20 0 BDADMP COc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037248455 175263094 /nfs/dbraw/zinc/26/30/94/175263094.db2.gz YAYHUGMFHDMCAX-UHFFFAOYSA-N 2 1 234.343 1.879 20 0 BDADMP COc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000107787837 175330479 /nfs/dbraw/zinc/33/04/79/175330479.db2.gz VMGGSKSANYGSJD-LBPRGKRZSA-N 2 1 234.343 1.784 20 0 BDADMP C[C@@H](Cc1ccoc1)[NH2+]C1CC[NH+](C)CC1 ZINC000309595051 175776240 /nfs/dbraw/zinc/77/62/40/175776240.db2.gz VYKPWPHBMVTUSJ-NSHDSACASA-N 2 1 222.332 1.894 20 0 BDADMP C[C@@H](c1ccccn1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049712745 176027667 /nfs/dbraw/zinc/02/76/67/176027667.db2.gz PHOLXGULIRYGIL-WOPDTQHZSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049712745 176027669 /nfs/dbraw/zinc/02/76/69/176027669.db2.gz PHOLXGULIRYGIL-WOPDTQHZSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122318668 176030634 /nfs/dbraw/zinc/03/06/34/176030634.db2.gz WYJDESBQTYMWOO-WOPDTQHZSA-N 2 1 219.332 1.812 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310480783 176088368 /nfs/dbraw/zinc/08/83/68/176088368.db2.gz CXSNBSLTVGMLNS-MRVWCRGKSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310480783 176088370 /nfs/dbraw/zinc/08/83/70/176088370.db2.gz CXSNBSLTVGMLNS-MRVWCRGKSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335634662 176185333 /nfs/dbraw/zinc/18/53/33/176185333.db2.gz GWMXJXYFZKIIQG-ABAIWWIYSA-N 2 1 230.355 1.741 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)O1 ZINC000336713033 176203327 /nfs/dbraw/zinc/20/33/27/176203327.db2.gz OCHACNPZQKRABO-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)O1 ZINC000336713033 176203328 /nfs/dbraw/zinc/20/33/28/176203328.db2.gz OCHACNPZQKRABO-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)O1 ZINC000336713033 176203332 /nfs/dbraw/zinc/20/33/32/176203332.db2.gz OCHACNPZQKRABO-RDBSUJKOSA-N 2 1 238.375 1.582 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000309829445 176268342 /nfs/dbraw/zinc/26/83/42/176268342.db2.gz YDRFRUJSRMMOSU-WXHSDQCUSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000125245522 176268556 /nfs/dbraw/zinc/26/85/56/176268556.db2.gz OENZSRLYDCWJIW-YPMHNXCESA-N 2 1 221.348 1.455 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000125245522 176268557 /nfs/dbraw/zinc/26/85/57/176268557.db2.gz OENZSRLYDCWJIW-YPMHNXCESA-N 2 1 221.348 1.455 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000309803730 176269411 /nfs/dbraw/zinc/26/94/11/176269411.db2.gz RQTITTXLHOGSLX-XVSSEFHLSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000336781325 176270049 /nfs/dbraw/zinc/27/00/49/176270049.db2.gz UJKXKOLGFDOWOF-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000361184538 176270970 /nfs/dbraw/zinc/27/09/70/176270970.db2.gz SIWYSGKGQUFRHK-IUODEOHRSA-N 2 1 248.370 1.609 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367712370 176278474 /nfs/dbraw/zinc/27/84/74/176278474.db2.gz JKDKGLTVUUNYKY-KJKVDNPUSA-N 2 1 238.375 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCS1 ZINC000123521495 176287624 /nfs/dbraw/zinc/28/76/24/176287624.db2.gz XKIYMKMUBWUGKO-LLVKDONJSA-N 2 1 228.405 1.813 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000251630634 176294084 /nfs/dbraw/zinc/29/40/84/176294084.db2.gz IJCXMGYUXOSRLV-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000251581777 176294814 /nfs/dbraw/zinc/29/48/14/176294814.db2.gz FBMCHMWCWZBNHS-IJLUTSLNSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000309499019 176295314 /nfs/dbraw/zinc/29/53/14/176295314.db2.gz ZTCUBJZHIQNHBI-LOWVWBTDSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000309499019 176295315 /nfs/dbraw/zinc/29/53/15/176295315.db2.gz ZTCUBJZHIQNHBI-LOWVWBTDSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000309499019 176295316 /nfs/dbraw/zinc/29/53/16/176295316.db2.gz ZTCUBJZHIQNHBI-LOWVWBTDSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000309499019 176295317 /nfs/dbraw/zinc/29/53/17/176295317.db2.gz ZTCUBJZHIQNHBI-LOWVWBTDSA-N 2 1 226.364 1.029 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000335592680 176328242 /nfs/dbraw/zinc/32/82/42/176328242.db2.gz RBSWJLHOKOMVLB-ZWNOBZJWSA-N 2 1 220.316 1.480 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000308893948 176354397 /nfs/dbraw/zinc/35/43/97/176354397.db2.gz YVFMMVATOSYHAI-WYUUTHIRSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000308893948 176354398 /nfs/dbraw/zinc/35/43/98/176354398.db2.gz YVFMMVATOSYHAI-WYUUTHIRSA-N 2 1 228.405 1.810 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCSC1 ZINC000224622268 176367421 /nfs/dbraw/zinc/36/74/21/176367421.db2.gz AVZOJQYGYCJSHS-VWYCJHECSA-N 2 1 214.378 1.409 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(O)c1 ZINC000126771514 176367497 /nfs/dbraw/zinc/36/74/97/176367497.db2.gz OWTMIZDXPMWYME-PWSUYJOCSA-N 2 1 220.316 1.561 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCCO2)CCN1C ZINC000123272665 176370416 /nfs/dbraw/zinc/37/04/16/176370416.db2.gz QSMXXSKFLGZIMH-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000123272665 176370418 /nfs/dbraw/zinc/37/04/18/176370418.db2.gz QSMXXSKFLGZIMH-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCCO2)CC[N@H+]1C ZINC000123272665 176370421 /nfs/dbraw/zinc/37/04/21/176370421.db2.gz QSMXXSKFLGZIMH-RDBSUJKOSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCO)CC[N@@H+]1Cc1ccccc1 ZINC000268712576 176375072 /nfs/dbraw/zinc/37/50/72/176375072.db2.gz DYWYLXLLTIVCKS-HIFRSBDPSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCO)CC[N@H+]1Cc1ccccc1 ZINC000268712576 176375074 /nfs/dbraw/zinc/37/50/74/176375074.db2.gz DYWYLXLLTIVCKS-HIFRSBDPSA-N 2 1 248.370 1.621 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccn2)CC[N@H+]1C ZINC000129522402 176376841 /nfs/dbraw/zinc/37/68/41/176376841.db2.gz PMHDAMZRJLRMEV-OCCSQVGLSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000305141380 177000117 /nfs/dbraw/zinc/00/01/17/177000117.db2.gz QFOXEDJOIHQZHU-MQLXINIDSA-N 2 1 242.407 1.712 20 0 BDADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357031647 177033895 /nfs/dbraw/zinc/03/38/95/177033895.db2.gz RATGSEXHLMIOLH-LLVKDONJSA-N 2 1 240.322 1.794 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)[NH3+] ZINC000040920154 177075845 /nfs/dbraw/zinc/07/58/45/177075845.db2.gz CYBUXGHQQNBAOZ-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1O ZINC000358220657 177233792 /nfs/dbraw/zinc/23/37/92/177233792.db2.gz KLMXMCYBADNWOO-GXTWGEPZSA-N 2 1 248.370 1.865 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000356670333 177233824 /nfs/dbraw/zinc/23/38/24/177233824.db2.gz FVJKSZYKLOVAGQ-REWJHTLYSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCS1 ZINC000123521630 177247122 /nfs/dbraw/zinc/24/71/22/177247122.db2.gz XKIYMKMUBWUGKO-NSHDSACASA-N 2 1 228.405 1.813 20 0 BDADMP C[C@H]1C[N@@H+](CCc2cccnc2)CC[C@@H]1[NH3+] ZINC000049712932 177254267 /nfs/dbraw/zinc/25/42/67/177254267.db2.gz ZRDQUJUQLMWZKT-AAEUAGOBSA-N 2 1 219.332 1.293 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000251914524 177265466 /nfs/dbraw/zinc/26/54/66/177265466.db2.gz XLRYLCVRXOYQHH-GXFFZTMASA-N 2 1 220.316 1.561 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@H]1[NH3+] ZINC000251914524 177265467 /nfs/dbraw/zinc/26/54/67/177265467.db2.gz XLRYLCVRXOYQHH-GXFFZTMASA-N 2 1 220.316 1.561 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336644253 177317561 /nfs/dbraw/zinc/31/75/61/177317561.db2.gz CDACBSYHSJCCCB-MDZLAQPJSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336644253 177317564 /nfs/dbraw/zinc/31/75/64/177317564.db2.gz CDACBSYHSJCCCB-MDZLAQPJSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336644253 177317565 /nfs/dbraw/zinc/31/75/65/177317565.db2.gz CDACBSYHSJCCCB-MDZLAQPJSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336644253 177317568 /nfs/dbraw/zinc/31/75/68/177317568.db2.gz CDACBSYHSJCCCB-MDZLAQPJSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@@H](C)C1 ZINC000358171240 177318496 /nfs/dbraw/zinc/31/84/96/177318496.db2.gz SYUVQBCWJORDRU-DGAVXFQQSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000358171240 177318497 /nfs/dbraw/zinc/31/84/97/177318497.db2.gz SYUVQBCWJORDRU-DGAVXFQQSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCC(C)(C)O)CC[N@@H+]1C ZINC000360457908 177326488 /nfs/dbraw/zinc/32/64/88/177326488.db2.gz XBWAEBHZXPLFRA-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCC(C)(C)O)CC[N@H+]1C ZINC000360457908 177326489 /nfs/dbraw/zinc/32/64/89/177326489.db2.gz XBWAEBHZXPLFRA-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCC(C)(C)O)CC[NH+]1C ZINC000360457908 177326490 /nfs/dbraw/zinc/32/64/90/177326490.db2.gz XBWAEBHZXPLFRA-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(C)(C)O)CC[NH+]1C ZINC000360457908 177326491 /nfs/dbraw/zinc/32/64/91/177326491.db2.gz XBWAEBHZXPLFRA-RYUDHWBXSA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccn1 ZINC000049712256 177327918 /nfs/dbraw/zinc/32/79/18/177327918.db2.gz BCNGGRGYAGFJOO-QWRGUYRKSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccn1 ZINC000049712256 177327919 /nfs/dbraw/zinc/32/79/19/177327919.db2.gz BCNGGRGYAGFJOO-QWRGUYRKSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(CO)CC2)CC[N@@H+]1C ZINC000361980204 177330737 /nfs/dbraw/zinc/33/07/37/177330737.db2.gz IFSAETZKOXPFIQ-ABXWRUBCSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(CO)CC2)CC[N@H+]1C ZINC000361980204 177330738 /nfs/dbraw/zinc/33/07/38/177330738.db2.gz IFSAETZKOXPFIQ-ABXWRUBCSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000356677980 177331888 /nfs/dbraw/zinc/33/18/88/177331888.db2.gz DXJUJPGQRSFIOE-DGAVXFQQSA-N 2 1 240.391 1.874 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCSCCCO)CC[N@H+]1C ZINC000151180344 177332058 /nfs/dbraw/zinc/33/20/58/177332058.db2.gz ZDAVWRCUUHIYIW-RYUDHWBXSA-N 2 1 246.420 1.174 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1ccnc1 ZINC000041119545 177332496 /nfs/dbraw/zinc/33/24/96/177332496.db2.gz QNZZIYSCIVTMEZ-FRRDWIJNSA-N 2 1 236.363 1.201 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[N@@H+]1C ZINC000090721118 177333664 /nfs/dbraw/zinc/33/36/64/177333664.db2.gz KIEVUBIJLPRYSG-RYUDHWBXSA-N 2 1 221.348 1.597 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccn2C)CC[N@H+]1C ZINC000090721118 177333666 /nfs/dbraw/zinc/33/36/66/177333666.db2.gz KIEVUBIJLPRYSG-RYUDHWBXSA-N 2 1 221.348 1.597 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CC[N@H+]1C ZINC000156609918 177334207 /nfs/dbraw/zinc/33/42/07/177334207.db2.gz GFNDAEOGPGMGDF-AAEUAGOBSA-N 2 1 221.348 1.597 20 0 BDADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCN ZINC000083039062 177338482 /nfs/dbraw/zinc/33/84/82/177338482.db2.gz RYZCTIBSXYQKDO-CMPLNLGQSA-N 2 1 222.307 1.962 20 0 BDADMP C[C@H]1C[C@H](NCC[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000128514275 177369301 /nfs/dbraw/zinc/36/93/01/177369301.db2.gz VYILAFMUQYUVPW-STQMWFEESA-N 2 1 237.391 1.297 20 0 BDADMP C[C@H]1C[C@H](NCC[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000128514275 177369303 /nfs/dbraw/zinc/36/93/03/177369303.db2.gz VYILAFMUQYUVPW-STQMWFEESA-N 2 1 237.391 1.297 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360859760 177372088 /nfs/dbraw/zinc/37/20/88/177372088.db2.gz OEKSEDNANPZBDU-FRRDWIJNSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360859760 177372090 /nfs/dbraw/zinc/37/20/90/177372090.db2.gz OEKSEDNANPZBDU-FRRDWIJNSA-N 2 1 248.374 1.480 20 0 BDADMP C[C@H]1C[C@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000336740538 177381146 /nfs/dbraw/zinc/38/11/46/177381146.db2.gz MIWIKPIRYAVFGE-RYUDHWBXSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H](NCCCC[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000400360839 226341707 /nfs/dbraw/zinc/34/17/07/226341707.db2.gz DARINEFCCJOTEL-NWDGAFQWSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000400748296 226351234 /nfs/dbraw/zinc/35/12/34/226351234.db2.gz UYTZWNWYQXJXSB-SYEHKZFSSA-N 2 1 224.348 1.284 20 0 BDADMP Cn1c[nH+]cc1CCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000314919189 487669840 /nfs/dbraw/zinc/66/98/40/487669840.db2.gz PHJMGJSTQMLVOW-OLZOCXBDSA-N 2 1 248.374 1.179 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000398885346 262771854 /nfs/dbraw/zinc/77/18/54/262771854.db2.gz KJAGTAXMBZDCIW-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000228620357 487694361 /nfs/dbraw/zinc/69/43/61/487694361.db2.gz YHHPRIOPMSXTIP-OCCSQVGLSA-N 2 1 233.359 1.949 20 0 BDADMP Cc1cncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000228621891 487695185 /nfs/dbraw/zinc/69/51/85/487695185.db2.gz YEBKGIWTEFFBGG-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000228621891 487695188 /nfs/dbraw/zinc/69/51/88/487695188.db2.gz YEBKGIWTEFFBGG-WCQYABFASA-N 2 1 219.332 1.559 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC1(O)CCC1 ZINC000396759785 262820411 /nfs/dbraw/zinc/82/04/11/262820411.db2.gz IFECNBBMRDQJGS-UHFFFAOYSA-N 2 1 240.391 1.756 20 0 BDADMP Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000398053819 262942801 /nfs/dbraw/zinc/94/28/01/262942801.db2.gz GVRLKKKROOPZKO-JQWIXIFHSA-N 2 1 223.320 1.590 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@H](C)CO ZINC000228725601 487719091 /nfs/dbraw/zinc/71/90/91/487719091.db2.gz XLWMIQIIFHDQCX-UPJWGTAASA-N 2 1 228.380 1.467 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717784 487721131 /nfs/dbraw/zinc/72/11/31/487721131.db2.gz YHQAWUMSEZQVSP-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000228783561 487724616 /nfs/dbraw/zinc/72/46/16/487724616.db2.gz IOJDICGHYJSJKG-NSHDSACASA-N 2 1 205.305 1.171 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250534398 487734381 /nfs/dbraw/zinc/73/43/81/487734381.db2.gz SRBCDBYEKNDQBF-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250654749 487737794 /nfs/dbraw/zinc/73/77/94/487737794.db2.gz NLZAXWDGLWIDGP-ZOBORPQBSA-N 2 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250654749 487737804 /nfs/dbraw/zinc/73/78/04/487737804.db2.gz NLZAXWDGLWIDGP-ZOBORPQBSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250654749 487737812 /nfs/dbraw/zinc/73/78/12/487737812.db2.gz NLZAXWDGLWIDGP-ZOBORPQBSA-N 3 1 237.391 1.473 20 0 BDADMP CC[C@@H](COC)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000233880280 487750547 /nfs/dbraw/zinc/75/05/47/487750547.db2.gz NGRWOYMINHKMJF-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200576 487763172 /nfs/dbraw/zinc/76/31/72/487763172.db2.gz XCXTZMWZWJIXEH-GRYCIOLGSA-N 2 1 214.353 1.186 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CO)[C@@H]2CCC[C@H]21 ZINC000671753815 487794889 /nfs/dbraw/zinc/79/48/89/487794889.db2.gz VEKTUSDZOFYMTJ-RWMBFGLXSA-N 2 1 240.391 1.467 20 0 BDADMP CC[C@@H]1C[N@H+](Cc2c(C)noc2C)CC[C@H]1[NH3+] ZINC000251769117 487796671 /nfs/dbraw/zinc/79/66/71/487796671.db2.gz MILMBPPYPOHJSX-DGCLKSJQSA-N 2 1 237.347 1.851 20 0 BDADMP CC[C@@H]1C[N@@H+](Cc2c(C)noc2C)CC[C@H]1[NH3+] ZINC000251769117 487796679 /nfs/dbraw/zinc/79/66/79/487796679.db2.gz MILMBPPYPOHJSX-DGCLKSJQSA-N 2 1 237.347 1.851 20 0 BDADMP C([C@H]1CC[N@H+]([C@@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000674303621 487801568 /nfs/dbraw/zinc/80/15/68/487801568.db2.gz XNXJZJVWYMVRMH-ZIAGYGMSSA-N 2 1 238.375 1.583 20 0 BDADMP Cn1cccc1[C@H]1CCC[N@H+]1CCC[NH3+] ZINC000414685452 487817716 /nfs/dbraw/zinc/81/77/16/487817716.db2.gz ZFOCYALGLSHCHQ-GFCCVEGCSA-N 2 1 207.321 1.511 20 0 BDADMP C[C@H]1CC[N@@H+](CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000414709018 487818559 /nfs/dbraw/zinc/81/85/59/487818559.db2.gz OKPLVPBWFGQAKQ-RYUDHWBXSA-N 2 1 222.336 1.115 20 0 BDADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000414919946 487828444 /nfs/dbraw/zinc/82/84/44/487828444.db2.gz WEFWREVRIFJSHN-QWRGUYRKSA-N 2 1 222.336 1.088 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000414921793 487829422 /nfs/dbraw/zinc/82/94/22/487829422.db2.gz FWNHTLUWVGMRSN-RQJABVFESA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000414921793 487829430 /nfs/dbraw/zinc/82/94/30/487829430.db2.gz FWNHTLUWVGMRSN-RQJABVFESA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000414921793 487829433 /nfs/dbraw/zinc/82/94/33/487829433.db2.gz FWNHTLUWVGMRSN-RQJABVFESA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121029994 490073652 /nfs/dbraw/zinc/07/36/52/490073652.db2.gz RKGFBIOCJDOXAH-QWHCGFSZSA-N 2 1 226.364 1.033 20 0 BDADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn[nH]c1 ZINC000651866905 487849556 /nfs/dbraw/zinc/84/95/56/487849556.db2.gz VGAKDURTGSNFPF-UHFFFAOYSA-N 2 1 224.352 1.477 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn[nH]c1 ZINC000651866905 487849561 /nfs/dbraw/zinc/84/95/61/487849561.db2.gz VGAKDURTGSNFPF-UHFFFAOYSA-N 2 1 224.352 1.477 20 0 BDADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCC[NH3+] ZINC000666654514 487852033 /nfs/dbraw/zinc/85/20/33/487852033.db2.gz LVDCRDHVOGZZBC-DTWKUNHWSA-N 2 1 224.270 1.998 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200577 487858210 /nfs/dbraw/zinc/85/82/10/487858210.db2.gz XCXTZMWZWJIXEH-IJLUTSLNSA-N 2 1 214.353 1.186 20 0 BDADMP C[C@H]1COCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000682029258 487883410 /nfs/dbraw/zinc/88/34/10/487883410.db2.gz UBWJKJZNSRGEOL-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@H]1COCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000682029258 487883411 /nfs/dbraw/zinc/88/34/11/487883411.db2.gz UBWJKJZNSRGEOL-AWEZNQCLSA-N 2 1 240.391 1.973 20 0 BDADMP CCCn1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000666855411 487890313 /nfs/dbraw/zinc/89/03/13/487890313.db2.gz QKQIHJQBXNDRGN-CYBMUJFWSA-N 2 1 236.363 1.525 20 0 BDADMP COc1cc(C)nc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666856449 487890918 /nfs/dbraw/zinc/89/09/18/487890918.db2.gz ISQNFHAIXPCJRI-GFCCVEGCSA-N 2 1 249.358 1.630 20 0 BDADMP Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)co1 ZINC000386810230 487895547 /nfs/dbraw/zinc/89/55/47/487895547.db2.gz NUPRFQGXLZAJAA-AWEZNQCLSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000386827700 487896966 /nfs/dbraw/zinc/89/69/66/487896966.db2.gz VGXYXZXAODSCKA-YPMHNXCESA-N 2 1 236.363 1.312 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCC2(CCCC2)O1 ZINC000229259109 487899234 /nfs/dbraw/zinc/89/92/34/487899234.db2.gz ZOJIARIJYAKKNJ-LBPRGKRZSA-N 2 1 226.364 1.759 20 0 BDADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157472440 487912268 /nfs/dbraw/zinc/91/22/68/487912268.db2.gz NLZAXWDGLWIDGP-XJFOESAGSA-N 2 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157472440 487912274 /nfs/dbraw/zinc/91/22/74/487912274.db2.gz NLZAXWDGLWIDGP-XJFOESAGSA-N 3 1 237.391 1.473 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157472440 487912278 /nfs/dbraw/zinc/91/22/78/487912278.db2.gz NLZAXWDGLWIDGP-XJFOESAGSA-N 3 1 237.391 1.473 20 0 BDADMP CCN(CC)C[C@@H](C)[NH2+]Cc1cncn1CC ZINC000090172953 487919771 /nfs/dbraw/zinc/91/97/71/487919771.db2.gz DFWQQRFHYBDSMN-GFCCVEGCSA-N 2 1 238.379 1.723 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000666982811 487922432 /nfs/dbraw/zinc/92/24/32/487922432.db2.gz DEKXFUFRLPNPRQ-SCRDCRAPSA-N 2 1 246.354 1.974 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000666982811 487922435 /nfs/dbraw/zinc/92/24/35/487922435.db2.gz DEKXFUFRLPNPRQ-SCRDCRAPSA-N 2 1 246.354 1.974 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666998205 487924632 /nfs/dbraw/zinc/92/46/32/487924632.db2.gz IEWQNWYPOLPBCO-CYBMUJFWSA-N 2 1 248.374 1.667 20 0 BDADMP CC[C@H](C)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000128874660 323007834 /nfs/dbraw/zinc/00/78/34/323007834.db2.gz DCMNSDJOPNYSGQ-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP C[NH+](C)CCC[N@H+](C)CC1=CCCOC1 ZINC000561970686 323009698 /nfs/dbraw/zinc/00/96/98/323009698.db2.gz PNZUNACXDSLHIY-UHFFFAOYSA-N 2 1 212.337 1.217 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)CC1=CCCOC1 ZINC000561970686 323009699 /nfs/dbraw/zinc/00/96/99/323009699.db2.gz PNZUNACXDSLHIY-UHFFFAOYSA-N 2 1 212.337 1.217 20 0 BDADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247247745 323012485 /nfs/dbraw/zinc/01/24/85/323012485.db2.gz ZJGJTPSZNOQPEQ-QWHCGFSZSA-N 2 1 228.380 1.875 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000562956373 323034898 /nfs/dbraw/zinc/03/48/98/323034898.db2.gz QJUGGMPTYPMHAM-STQMWFEESA-N 3 1 227.396 1.482 20 0 BDADMP C[C@H]([NH2+]CCOCC1CCC1)[C@H]1CCC[NH2+]1 ZINC000562959586 323035294 /nfs/dbraw/zinc/03/52/94/323035294.db2.gz KKBJLOYFALGNKP-WCQYABFASA-N 2 1 226.364 1.533 20 0 BDADMP CC[C@H]([NH2+]CCOCC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000562959521 323035323 /nfs/dbraw/zinc/03/53/23/323035323.db2.gz FAMIYSRHTZWVND-KBPBESRZSA-N 2 1 240.391 1.923 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H](C)COC ZINC000163330479 323035945 /nfs/dbraw/zinc/03/59/45/323035945.db2.gz JDRARRRHJBWSNR-VXGBXAGGSA-N 2 1 216.369 1.589 20 0 BDADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000562962887 323036819 /nfs/dbraw/zinc/03/68/19/323036819.db2.gz XVESFSVTBMBPMV-VXGBXAGGSA-N 2 1 224.348 1.287 20 0 BDADMP Cc1noc(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000570044472 323048236 /nfs/dbraw/zinc/04/82/36/323048236.db2.gz MGKLODLNCVKBBB-JGVFFNPUSA-N 2 1 211.309 1.507 20 0 BDADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000570274618 323054563 /nfs/dbraw/zinc/05/45/63/323054563.db2.gz UXQQIRAUNFEBKI-GRYCIOLGSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCCn2cccn2)CC[N@H+]1C ZINC000126982703 323074941 /nfs/dbraw/zinc/07/49/41/323074941.db2.gz ILUGDTKKZDJTBE-OLZOCXBDSA-N 2 1 236.363 1.346 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000228361825 323082393 /nfs/dbraw/zinc/08/23/93/323082393.db2.gz PZSRXGGCUXHSNO-MWKLHQSFSA-N 2 1 246.420 1.072 20 0 BDADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000228361825 323082394 /nfs/dbraw/zinc/08/23/94/323082394.db2.gz PZSRXGGCUXHSNO-MWKLHQSFSA-N 2 1 246.420 1.072 20 0 BDADMP CC[C@H](C)C[NH2+]CCC[N@@H+](C)CCOC ZINC000093061419 323088182 /nfs/dbraw/zinc/08/81/82/323088182.db2.gz DZMBBGUYTLNOMW-LBPRGKRZSA-N 2 1 216.369 1.590 20 0 BDADMP Cc1nccnc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401791671 323123945 /nfs/dbraw/zinc/12/39/45/323123945.db2.gz CIWZSYTYMLPACS-JTQLQIEISA-N 2 1 245.330 1.412 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CCO)c2ccco2)C1 ZINC000563427356 323126189 /nfs/dbraw/zinc/12/61/89/323126189.db2.gz YBMWEWRBXBFKLX-IJLUTSLNSA-N 2 1 238.331 1.563 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000571103605 323135660 /nfs/dbraw/zinc/13/56/60/323135660.db2.gz FBJPZWLWNHAPQF-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC(C)(C)C1 ZINC000571103605 323135661 /nfs/dbraw/zinc/13/56/61/323135661.db2.gz FBJPZWLWNHAPQF-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000571103605 323135664 /nfs/dbraw/zinc/13/56/64/323135664.db2.gz FBJPZWLWNHAPQF-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP COC(=O)CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397263375 323152487 /nfs/dbraw/zinc/15/24/87/323152487.db2.gz IECPHKZERVVSHC-TUAOUCFPSA-N 2 1 242.363 1.245 20 0 BDADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000531970660 323160324 /nfs/dbraw/zinc/16/03/24/323160324.db2.gz DHGODUIXVCCZHH-DOMZBBRYSA-N 2 1 247.386 1.862 20 0 BDADMP COC(C)(C)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000535764274 323190766 /nfs/dbraw/zinc/19/07/66/323190766.db2.gz PRABPWFHAVGDKB-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP COC(C)(C)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000535764274 323190767 /nfs/dbraw/zinc/19/07/67/323190767.db2.gz PRABPWFHAVGDKB-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP COC(C)(C)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000535764274 323190768 /nfs/dbraw/zinc/19/07/68/323190768.db2.gz PRABPWFHAVGDKB-LBPRGKRZSA-N 2 1 228.380 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)[C@@H](C)O1 ZINC000530218507 323217632 /nfs/dbraw/zinc/21/76/32/323217632.db2.gz WNQFAYDPVZPRDP-WYUUTHIRSA-N 2 1 224.348 1.427 20 0 BDADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000530223588 323218466 /nfs/dbraw/zinc/21/84/66/323218466.db2.gz TVITYAHYQNZYOK-RYUDHWBXSA-N 2 1 226.364 1.532 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000526119510 323230677 /nfs/dbraw/zinc/23/06/77/323230677.db2.gz UOJIPJVCVGCNFV-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP COC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000526119510 323230682 /nfs/dbraw/zinc/23/06/82/323230682.db2.gz UOJIPJVCVGCNFV-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000328460291 323252217 /nfs/dbraw/zinc/25/22/17/323252217.db2.gz GYGFEHSPBDWGQJ-WCQYABFASA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000227504164 487962265 /nfs/dbraw/zinc/96/22/65/487962265.db2.gz XYMOCFXISOBEHS-TUAOUCFPSA-N 2 1 228.405 1.812 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000653543509 487962915 /nfs/dbraw/zinc/96/29/15/487962915.db2.gz QHUIDPHJTGHJEI-QWHCGFSZSA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000653543509 487962923 /nfs/dbraw/zinc/96/29/23/487962923.db2.gz QHUIDPHJTGHJEI-QWHCGFSZSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000653543509 487962930 /nfs/dbraw/zinc/96/29/30/487962930.db2.gz QHUIDPHJTGHJEI-QWHCGFSZSA-N 2 1 226.364 1.173 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000653543509 487962932 /nfs/dbraw/zinc/96/29/32/487962932.db2.gz QHUIDPHJTGHJEI-QWHCGFSZSA-N 2 1 226.364 1.173 20 0 BDADMP COC[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653558669 487965405 /nfs/dbraw/zinc/96/54/05/487965405.db2.gz NTSGDZMOMRWFON-GFCCVEGCSA-N 2 1 237.347 1.321 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653558669 487965411 /nfs/dbraw/zinc/96/54/11/487965411.db2.gz NTSGDZMOMRWFON-GFCCVEGCSA-N 2 1 237.347 1.321 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000130451450 325053237 /nfs/dbraw/zinc/05/32/37/325053237.db2.gz MHQFTEXEWLOXSH-STQMWFEESA-N 2 1 239.407 1.541 20 0 BDADMP CC(C)[NH+](C)CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130451450 325053239 /nfs/dbraw/zinc/05/32/39/325053239.db2.gz MHQFTEXEWLOXSH-STQMWFEESA-N 2 1 239.407 1.541 20 0 BDADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC000130692274 325080822 /nfs/dbraw/zinc/08/08/22/325080822.db2.gz NUEMAMGUBWDBDP-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC000130692274 325080824 /nfs/dbraw/zinc/08/08/24/325080824.db2.gz NUEMAMGUBWDBDP-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CSC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000133960103 325334145 /nfs/dbraw/zinc/33/41/45/325334145.db2.gz VXWYEWUXEXSNAU-VIFPVBQESA-N 2 1 202.367 1.422 20 0 BDADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000309456576 487970195 /nfs/dbraw/zinc/97/01/95/487970195.db2.gz NUUUMVKNFUZQQH-AAEUAGOBSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000309456576 487970200 /nfs/dbraw/zinc/97/02/00/487970200.db2.gz NUUUMVKNFUZQQH-AAEUAGOBSA-N 2 1 228.380 1.325 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+]CC1(O)CCCC1 ZINC000566106396 325995769 /nfs/dbraw/zinc/99/57/69/325995769.db2.gz OJHZYIPRMCHTAW-UHFFFAOYSA-N 2 1 237.347 1.476 20 0 BDADMP C[C@H](CSC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000566214903 326015896 /nfs/dbraw/zinc/01/58/96/326015896.db2.gz ZKZZPXBBMFJQJC-GHMZBOCLSA-N 2 1 232.393 1.000 20 0 BDADMP C[C@H](CSC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000566214903 326015899 /nfs/dbraw/zinc/01/58/99/326015899.db2.gz ZKZZPXBBMFJQJC-GHMZBOCLSA-N 2 1 232.393 1.000 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000566483298 326056224 /nfs/dbraw/zinc/05/62/24/326056224.db2.gz UGURLOVPAYJQMJ-IHRRRGAJSA-N 2 1 241.423 1.966 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000566614492 326067942 /nfs/dbraw/zinc/06/79/42/326067942.db2.gz ZWXNCSPUOAGLLH-SNVBAGLBSA-N 2 1 210.325 1.448 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566867055 326088649 /nfs/dbraw/zinc/08/86/49/326088649.db2.gz TXFWHGRQUKKMLS-RFQIPJPRSA-N 3 1 239.407 1.719 20 0 BDADMP CC(C)[C@H](CCO)[NH2+]CCCc1c[nH+]cn1C ZINC000314126492 326291786 /nfs/dbraw/zinc/29/17/86/326291786.db2.gz JSZRGLUWYRZSAF-ZDUSSCGKSA-N 2 1 239.363 1.349 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCc2ccccc2C1 ZINC000568050818 326300087 /nfs/dbraw/zinc/30/00/87/326300087.db2.gz HGZYKVCISPARFD-HNNXBMFYSA-N 2 1 248.370 1.405 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000568180936 326321657 /nfs/dbraw/zinc/32/16/57/326321657.db2.gz GRFRIMGAOIQHOG-MROQNXINSA-N 2 1 226.364 1.077 20 0 BDADMP Cc1ncc(CNC[C@H]2CCC[N@@H+](C)C2)n1C ZINC000568414581 326356265 /nfs/dbraw/zinc/35/62/65/326356265.db2.gz OXLDFBFDCDGAMP-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)n1C ZINC000568414581 326356270 /nfs/dbraw/zinc/35/62/70/326356270.db2.gz OXLDFBFDCDGAMP-GFCCVEGCSA-N 2 1 236.363 1.160 20 0 BDADMP C[C@H](O)[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000569230350 326396293 /nfs/dbraw/zinc/39/62/93/326396293.db2.gz VRVQGKOUWNKIIV-IHRRRGAJSA-N 2 1 242.407 2.000 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400468350 487980398 /nfs/dbraw/zinc/98/03/98/487980398.db2.gz UKMZCXYTGMCUMS-FRRDWIJNSA-N 2 1 225.380 1.201 20 0 BDADMP C[NH2+]CCC[N@H+](C)CCOC(C)(C)C ZINC000158900032 487982577 /nfs/dbraw/zinc/98/25/77/487982577.db2.gz XHSYQZZWRAABRC-UHFFFAOYSA-N 2 1 202.342 1.343 20 0 BDADMP C[NH2+]CCC[N@@H+](C)CCOC(C)(C)C ZINC000158900032 487982582 /nfs/dbraw/zinc/98/25/82/487982582.db2.gz XHSYQZZWRAABRC-UHFFFAOYSA-N 2 1 202.342 1.343 20 0 BDADMP CC[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000682075002 487990325 /nfs/dbraw/zinc/99/03/25/487990325.db2.gz ZLDAVZOBNKKBPF-ZIAGYGMSSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@H]1C ZINC000677197239 488003106 /nfs/dbraw/zinc/00/31/06/488003106.db2.gz YAUISLOUOPQOLJ-CQSZACIVSA-N 2 1 239.407 1.498 20 0 BDADMP CCOCC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147435907 488023405 /nfs/dbraw/zinc/02/34/05/488023405.db2.gz YRYLSENWZNCVFI-QWRGUYRKSA-N 2 1 200.326 1.082 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000663511085 488056253 /nfs/dbraw/zinc/05/62/53/488056253.db2.gz VDZLKBIAKMMJBI-VXGBXAGGSA-N 2 1 236.359 1.824 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257651315 488074722 /nfs/dbraw/zinc/07/47/22/488074722.db2.gz DIZMWEKKWPSAKQ-QWHCGFSZSA-N 2 1 224.348 1.098 20 0 BDADMP Cc1ncc(CN(C)CCCOC(C)C)n1C ZINC000667655664 488076746 /nfs/dbraw/zinc/07/67/46/488076746.db2.gz MUQXGTZICWAFMT-UHFFFAOYSA-N 2 1 239.363 1.975 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389109301 488077289 /nfs/dbraw/zinc/07/72/89/488077289.db2.gz ADROBZMBOJSZRE-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP CCCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389109301 488077292 /nfs/dbraw/zinc/07/72/92/488077292.db2.gz ADROBZMBOJSZRE-AGIUHOORSA-N 2 1 225.380 1.188 20 0 BDADMP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000257664261 488078408 /nfs/dbraw/zinc/07/84/08/488078408.db2.gz WVKUNOWUSUAVRI-WDEREUQCSA-N 2 1 220.320 1.775 20 0 BDADMP C[NH2+]CCC1CC[NH+](Cc2coc(C)n2)CC1 ZINC000310204980 488079498 /nfs/dbraw/zinc/07/94/98/488079498.db2.gz BNMWZAGAAIULIX-UHFFFAOYSA-N 2 1 237.347 1.805 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070086534 487537510 /nfs/dbraw/zinc/53/75/10/487537510.db2.gz DCNVHKRCSFVOMG-LLVKDONJSA-N 2 1 241.379 1.104 20 0 BDADMP CCO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000233754053 488127233 /nfs/dbraw/zinc/12/72/33/488127233.db2.gz XSQFNTZVWFAPIN-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000310543758 488128767 /nfs/dbraw/zinc/12/87/67/488128767.db2.gz RTEHVZZWIHTIRL-HZSPNIEDSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000310543758 488128771 /nfs/dbraw/zinc/12/87/71/488128771.db2.gz RTEHVZZWIHTIRL-HZSPNIEDSA-N 2 1 242.407 1.665 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000310543758 488128776 /nfs/dbraw/zinc/12/87/76/488128776.db2.gz RTEHVZZWIHTIRL-HZSPNIEDSA-N 2 1 242.407 1.665 20 0 BDADMP CCOCC[N@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000382417686 487541619 /nfs/dbraw/zinc/54/16/19/487541619.db2.gz NYJDYOMVACAYTE-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CCOCC[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000382417686 487541622 /nfs/dbraw/zinc/54/16/22/487541622.db2.gz NYJDYOMVACAYTE-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CCOCC[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000382417686 487541625 /nfs/dbraw/zinc/54/16/25/487541625.db2.gz NYJDYOMVACAYTE-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP CCOCC[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000382417686 487541627 /nfs/dbraw/zinc/54/16/27/487541627.db2.gz NYJDYOMVACAYTE-ZDUSSCGKSA-N 2 1 246.395 1.046 20 0 BDADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCc1cccnc1)C2 ZINC000394151512 487542581 /nfs/dbraw/zinc/54/25/81/487542581.db2.gz JSBRBMVBGPQSMZ-GJZGRUSLSA-N 2 1 245.370 1.685 20 0 BDADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCOC2)C1 ZINC000674302280 487554250 /nfs/dbraw/zinc/55/42/50/487554250.db2.gz KZNXBUTVAFWUQW-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302280 487554258 /nfs/dbraw/zinc/55/42/58/487554258.db2.gz KZNXBUTVAFWUQW-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302280 487554264 /nfs/dbraw/zinc/55/42/64/487554264.db2.gz KZNXBUTVAFWUQW-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785262 487531479 /nfs/dbraw/zinc/53/14/79/487531479.db2.gz OZEINANGRPAZCA-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP C1=CCC(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000238036179 487556869 /nfs/dbraw/zinc/55/68/69/487556869.db2.gz JJGIDEURRQKZHL-OLZOCXBDSA-N 2 1 206.333 1.779 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1C[NH3+] ZINC000405237712 487477062 /nfs/dbraw/zinc/47/70/62/487477062.db2.gz ZNBUFLUTXOHPIZ-CHWSQXEVSA-N 2 1 226.364 1.472 20 0 BDADMP C[NH2+]CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000161237121 487486215 /nfs/dbraw/zinc/48/62/15/487486215.db2.gz MUYFGUUMSOLHOZ-NSHDSACASA-N 2 1 220.316 1.362 20 0 BDADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559774716 487490453 /nfs/dbraw/zinc/49/04/53/487490453.db2.gz XQMVGLFANCUMMN-NWANDNLSSA-N 2 1 248.370 1.792 20 0 BDADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559774716 487490457 /nfs/dbraw/zinc/49/04/57/487490457.db2.gz XQMVGLFANCUMMN-NWANDNLSSA-N 2 1 248.370 1.792 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1(C)C ZINC000381061222 487494353 /nfs/dbraw/zinc/49/43/53/487494353.db2.gz LCTXCTDCWCEFLE-LBPRGKRZSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC1(C)C ZINC000381061222 487494354 /nfs/dbraw/zinc/49/43/54/487494354.db2.gz LCTXCTDCWCEFLE-LBPRGKRZSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC1(C)C ZINC000381061222 487494355 /nfs/dbraw/zinc/49/43/55/487494355.db2.gz LCTXCTDCWCEFLE-LBPRGKRZSA-N 2 1 228.380 1.562 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000381070532 487494895 /nfs/dbraw/zinc/49/48/95/487494895.db2.gz ODOVMOSXVAJKIG-QWHCGFSZSA-N 2 1 230.396 1.665 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000381070532 487494902 /nfs/dbraw/zinc/49/49/02/487494902.db2.gz ODOVMOSXVAJKIG-QWHCGFSZSA-N 2 1 230.396 1.665 20 0 BDADMP CC[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381070532 487494907 /nfs/dbraw/zinc/49/49/07/487494907.db2.gz ODOVMOSXVAJKIG-QWHCGFSZSA-N 2 1 230.396 1.665 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccsc1 ZINC000086435392 487506836 /nfs/dbraw/zinc/50/68/36/487506836.db2.gz LTZDMXDXEQQJSV-UHFFFAOYSA-N 2 1 214.334 1.155 20 0 BDADMP C[N@H+](CCO[C@@H]1CC1(F)F)[C@H](C[NH3+])C1CC1 ZINC000662273307 487521064 /nfs/dbraw/zinc/52/10/64/487521064.db2.gz NVKJPBBXFIMPPX-NXEZZACHSA-N 2 1 234.290 1.080 20 0 BDADMP C[N@@H+](CCO[C@@H]1CC1(F)F)[C@H](C[NH3+])C1CC1 ZINC000662273307 487521066 /nfs/dbraw/zinc/52/10/66/487521066.db2.gz NVKJPBBXFIMPPX-NXEZZACHSA-N 2 1 234.290 1.080 20 0 BDADMP CO[C@H](C[N@@H+](C)C1CC([NH3+])C1)C1CCCC1 ZINC000662274098 487522921 /nfs/dbraw/zinc/52/29/21/487522921.db2.gz RDXXGCKBTJPPFD-WXRRBKDZSA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@@H](C[N@@H+](C)C1CC([NH3+])C1)C1CCC1 ZINC000662274132 487523133 /nfs/dbraw/zinc/52/31/33/487523133.db2.gz RFJAQRSGVJCOEW-MCIGGMRASA-N 2 1 212.337 1.223 20 0 BDADMP c1c2ccccc2[nH]c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000684022758 487741739 /nfs/dbraw/zinc/74/17/39/487741739.db2.gz QYRCNGKNDVICIS-STQMWFEESA-N 2 1 241.338 1.819 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418983 487823963 /nfs/dbraw/zinc/82/39/63/487823963.db2.gz XPNLBAOBDMKBDB-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP COC[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000682029239 487883769 /nfs/dbraw/zinc/88/37/69/487883769.db2.gz NWIYONXKKBKDGX-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657859292 488153160 /nfs/dbraw/zinc/15/31/60/488153160.db2.gz RYOCUQNBYTZTMP-NWDGAFQWSA-N 2 1 236.363 1.648 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](C)CO)CC1 ZINC000678045531 488174943 /nfs/dbraw/zinc/17/49/43/488174943.db2.gz MXQJKISIFQJYLJ-GFCCVEGCSA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H](CO)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000678043401 488178434 /nfs/dbraw/zinc/17/84/34/488178434.db2.gz CETILBKSRGGCDZ-GXTWGEPZSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000678043401 488178438 /nfs/dbraw/zinc/17/84/38/488178438.db2.gz CETILBKSRGGCDZ-GXTWGEPZSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@H](CO)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000678043401 488178444 /nfs/dbraw/zinc/17/84/44/488178444.db2.gz CETILBKSRGGCDZ-GXTWGEPZSA-N 2 1 240.391 1.279 20 0 BDADMP Cc1[nH+]cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)n1C ZINC000668031927 488190675 /nfs/dbraw/zinc/19/06/75/488190675.db2.gz MUOLFAPEZLFIBP-AXFHLTTASA-N 2 1 237.347 1.726 20 0 BDADMP C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)C1CCC1 ZINC000398671444 488222838 /nfs/dbraw/zinc/22/28/38/488222838.db2.gz SJDDHUPAUGBHOP-CQSZACIVSA-N 2 1 237.391 1.156 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)Cc2cn[nH]c2)[C@H](C)C1 ZINC000678277352 488235747 /nfs/dbraw/zinc/23/57/47/488235747.db2.gz ISXGJULTYVGMTC-YPMHNXCESA-N 2 1 236.363 1.572 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn[nH]c3)CC[C@H]21 ZINC000678339232 488242944 /nfs/dbraw/zinc/24/29/44/488242944.db2.gz JTKGGIWISASKGD-CHWSQXEVSA-N 2 1 234.347 1.326 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn[nH]c3)CC[C@H]21 ZINC000678339232 488242946 /nfs/dbraw/zinc/24/29/46/488242946.db2.gz JTKGGIWISASKGD-CHWSQXEVSA-N 2 1 234.347 1.326 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn[nH]c3)CC[C@H]21 ZINC000678339232 488242948 /nfs/dbraw/zinc/24/29/48/488242948.db2.gz JTKGGIWISASKGD-CHWSQXEVSA-N 2 1 234.347 1.326 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn[nH]c3)CC[C@H]21 ZINC000678339232 488242951 /nfs/dbraw/zinc/24/29/51/488242951.db2.gz JTKGGIWISASKGD-CHWSQXEVSA-N 2 1 234.347 1.326 20 0 BDADMP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678604993 488270862 /nfs/dbraw/zinc/27/08/62/488270862.db2.gz BIQNWGTWGALADC-MELADBBJSA-N 2 1 238.375 1.364 20 0 BDADMP C1=CC[NH+](CCC[N@H+]2CC=CCC2)CC1 ZINC000679322325 490114037 /nfs/dbraw/zinc/11/40/37/490114037.db2.gz FDFWPRMTGKQJCV-UHFFFAOYSA-N 2 1 206.333 1.900 20 0 BDADMP C1=CC[NH+](CCC[N@@H+]2CC=CCC2)CC1 ZINC000679322325 490114041 /nfs/dbraw/zinc/11/40/41/490114041.db2.gz FDFWPRMTGKQJCV-UHFFFAOYSA-N 2 1 206.333 1.900 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000517731011 490144573 /nfs/dbraw/zinc/14/45/73/490144573.db2.gz ZXDUTONVOWBXME-ZIAGYGMSSA-N 2 1 234.343 1.973 20 0 BDADMP c1ccc(COCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000309715038 490192334 /nfs/dbraw/zinc/19/23/34/490192334.db2.gz KKTAPCXXQZVJJC-GASCZTMLSA-N 2 1 246.354 1.354 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CO)CC[N@H+]1C ZINC000128103241 490570868 /nfs/dbraw/zinc/57/08/68/490570868.db2.gz DDLJTLGMHUWVTI-WDEREUQCSA-N 2 1 214.353 1.077 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)[nH]n1 ZINC000564722497 491090800 /nfs/dbraw/zinc/09/08/00/491090800.db2.gz TZIXQLOLTMLZKM-IRUJWGPZSA-N 2 1 236.363 1.379 20 0 BDADMP Cc1cc(C[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n[nH]1 ZINC000564722497 491090801 /nfs/dbraw/zinc/09/08/01/491090801.db2.gz TZIXQLOLTMLZKM-IRUJWGPZSA-N 2 1 236.363 1.379 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCOC)C1 ZINC000088536901 491104759 /nfs/dbraw/zinc/10/47/59/491104759.db2.gz KNKPKLVGKRDNCM-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536901 491104761 /nfs/dbraw/zinc/10/47/61/491104761.db2.gz KNKPKLVGKRDNCM-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536901 491104763 /nfs/dbraw/zinc/10/47/63/491104763.db2.gz KNKPKLVGKRDNCM-STQMWFEESA-N 2 1 228.380 1.685 20 0 BDADMP CCOc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320626 491124453 /nfs/dbraw/zinc/12/44/53/491124453.db2.gz YQQBEPRTRYIDRI-KBPBESRZSA-N 2 1 246.354 1.737 20 0 BDADMP CN1CC(C[N@@H+](C)Cc2ccc3c(n2)CCC3)C1 ZINC000668538681 491127230 /nfs/dbraw/zinc/12/72/30/491127230.db2.gz GTWKBEISVHKAGM-UHFFFAOYSA-N 2 1 245.370 1.564 20 0 BDADMP CN(Cc1ccc2c(n1)CCC2)CC1C[NH+](C)C1 ZINC000668538681 491127231 /nfs/dbraw/zinc/12/72/31/491127231.db2.gz GTWKBEISVHKAGM-UHFFFAOYSA-N 2 1 245.370 1.564 20 0 BDADMP Cc1cc(CO)cc(NCC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000664246737 491133442 /nfs/dbraw/zinc/13/34/42/491133442.db2.gz XXKXMWMJFLMPSW-LLVKDONJSA-N 2 1 237.347 1.634 20 0 BDADMP C[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000310107546 491160410 /nfs/dbraw/zinc/16/04/10/491160410.db2.gz PTAFYSNPRIRYRH-WCQYABFASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000310107546 491160411 /nfs/dbraw/zinc/16/04/11/491160411.db2.gz PTAFYSNPRIRYRH-WCQYABFASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000310107546 491160412 /nfs/dbraw/zinc/16/04/12/491160412.db2.gz PTAFYSNPRIRYRH-WCQYABFASA-N 2 1 242.407 1.808 20 0 BDADMP C[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000310107546 491160413 /nfs/dbraw/zinc/16/04/13/491160413.db2.gz PTAFYSNPRIRYRH-WCQYABFASA-N 2 1 242.407 1.808 20 0 BDADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C2(C[NH3+])CC2)CC1 ZINC001172777980 974940542 /nfs/dbraw/zinc/94/05/42/974940542.db2.gz DFPKNIJTISIKBA-QWRGUYRKSA-N 2 1 240.347 1.189 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cncn2C)[C@H](C)C1 ZINC000344533872 535770309 /nfs/dbraw/zinc/77/03/09/535770309.db2.gz GXOYYCUPTORHDO-YPMHNXCESA-N 2 1 236.363 1.240 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cncn2C)[C@H](C)C1 ZINC000344533872 535770313 /nfs/dbraw/zinc/77/03/13/535770313.db2.gz GXOYYCUPTORHDO-YPMHNXCESA-N 2 1 236.363 1.240 20 0 BDADMP CCC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000892067870 582784479 /nfs/dbraw/zinc/78/44/79/582784479.db2.gz BELZPHCDMJVGQW-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP C[N@@H+](CCC1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000262111035 536326601 /nfs/dbraw/zinc/32/66/01/536326601.db2.gz WMXJBFPVZHNJJP-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)C[C@@]1(C)CC[NH2+]C1 ZINC000220955419 582820139 /nfs/dbraw/zinc/82/01/39/582820139.db2.gz LCDOCJHWARELDQ-OLZOCXBDSA-N 2 1 225.380 1.012 20 0 BDADMP CC/C=C/CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849035254 582836499 /nfs/dbraw/zinc/83/64/99/582836499.db2.gz BOHZEJXIUCABCB-BTDICHCPSA-N 2 1 238.379 1.551 20 0 BDADMP CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261852110 534612675 /nfs/dbraw/zinc/61/26/75/534612675.db2.gz BGMRCRFMYTVLTA-UPJWGTAASA-N 2 1 240.391 1.779 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000183686211 536370115 /nfs/dbraw/zinc/37/01/15/536370115.db2.gz CIBRJPTYKNOBCG-CHWSQXEVSA-N 2 1 242.407 1.857 20 0 BDADMP C[NH2+]C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000334399887 536440445 /nfs/dbraw/zinc/44/04/45/536440445.db2.gz MSRQTCCBVAWSKS-UHFFFAOYSA-N 2 1 219.332 1.453 20 0 BDADMP C[N@H+]1CC[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000261764500 536465182 /nfs/dbraw/zinc/46/51/82/536465182.db2.gz DHBAUXDNQUSIQM-BFHYXJOUSA-N 2 1 237.391 1.012 20 0 BDADMP CN1CC[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000261764500 536465185 /nfs/dbraw/zinc/46/51/85/536465185.db2.gz DHBAUXDNQUSIQM-BFHYXJOUSA-N 2 1 237.391 1.012 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000261764500 536465187 /nfs/dbraw/zinc/46/51/87/536465187.db2.gz DHBAUXDNQUSIQM-BFHYXJOUSA-N 2 1 237.391 1.012 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510106939 528100204 /nfs/dbraw/zinc/10/02/04/528100204.db2.gz WIWZQAZZTHLDOR-BETUJISGSA-N 2 1 228.380 1.828 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000252714953 534957644 /nfs/dbraw/zinc/95/76/44/534957644.db2.gz UEARPKZPHJVKFD-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP CC1(C)[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000261544562 535040470 /nfs/dbraw/zinc/04/04/70/535040470.db2.gz JAYABBOJOOEABU-SDDRHHMPSA-N 2 1 208.349 1.574 20 0 BDADMP CC(C)COCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261540677 535177350 /nfs/dbraw/zinc/17/73/50/535177350.db2.gz HBYNSQKINFBVAB-MJBXVCDLSA-N 2 1 240.391 1.718 20 0 BDADMP CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261552152 535186219 /nfs/dbraw/zinc/18/62/19/535186219.db2.gz QZIOQVCBIGPNBK-TUAOUCFPSA-N 2 1 212.337 1.143 20 0 BDADMP CC(C)([NH3+])C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261978166 535197805 /nfs/dbraw/zinc/19/78/05/535197805.db2.gz RBMURRHPGLKTIB-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220946809 535813695 /nfs/dbraw/zinc/81/36/95/535813695.db2.gz NETAXUXTSYKSQU-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220946809 535813696 /nfs/dbraw/zinc/81/36/96/535813696.db2.gz NETAXUXTSYKSQU-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220946809 535813697 /nfs/dbraw/zinc/81/36/97/535813697.db2.gz NETAXUXTSYKSQU-YNEHKIRRSA-N 2 1 226.364 1.173 20 0 BDADMP CCn1nccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000164136868 535870000 /nfs/dbraw/zinc/87/00/00/535870000.db2.gz PRFMPDSZIWVDSR-LLVKDONJSA-N 2 1 222.336 1.074 20 0 BDADMP CCn1nccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000164136868 535870004 /nfs/dbraw/zinc/87/00/04/535870004.db2.gz PRFMPDSZIWVDSR-LLVKDONJSA-N 2 1 222.336 1.074 20 0 BDADMP CC[C@]1(C)COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261644352 535924262 /nfs/dbraw/zinc/92/42/62/535924262.db2.gz AOJSWMVHCPLJAA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@]1(C)COCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261644352 535924271 /nfs/dbraw/zinc/92/42/71/535924271.db2.gz AOJSWMVHCPLJAA-QWHCGFSZSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@H]2CCCCS2)CC1 ZINC000087683571 536344683 /nfs/dbraw/zinc/34/46/83/536344683.db2.gz BDBQKANZGIUEPF-GFCCVEGCSA-N 2 1 228.405 1.956 20 0 BDADMP COc1cc(C)[nH+]c(CN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261539592 536692323 /nfs/dbraw/zinc/69/23/23/536692323.db2.gz AHHBSVPNXWQXSU-TVQRCGJNSA-N 2 1 235.331 1.178 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245949248 537960733 /nfs/dbraw/zinc/96/07/33/537960733.db2.gz KWZYMDKSFGCKAN-PWSUYJOCSA-N 2 1 236.363 1.711 20 0 BDADMP C[N@H+](CCC1SCCS1)CC(C)(C)[NH3+] ZINC000853022748 588716495 /nfs/dbraw/zinc/71/64/95/588716495.db2.gz DSYCXNKHNKAIJY-UHFFFAOYSA-N 2 1 234.434 1.852 20 0 BDADMP C[N@@H+](CCC1SCCS1)CC(C)(C)[NH3+] ZINC000853022748 588716496 /nfs/dbraw/zinc/71/64/96/588716496.db2.gz DSYCXNKHNKAIJY-UHFFFAOYSA-N 2 1 234.434 1.852 20 0 BDADMP C[N@H+](CCC1SCCS1)[C@@H](CN)C1CC1 ZINC000853022974 588716555 /nfs/dbraw/zinc/71/65/55/588716555.db2.gz JHRCWGRIXYRAQA-JTQLQIEISA-N 2 1 246.445 1.852 20 0 BDADMP C[N@H+](CCC1SCCS1)[C@@H](C[NH3+])C1CC1 ZINC000853022974 588716557 /nfs/dbraw/zinc/71/65/57/588716557.db2.gz JHRCWGRIXYRAQA-JTQLQIEISA-N 2 1 246.445 1.852 20 0 BDADMP C[N@@H+](CCC1SCCS1)[C@@H](C[NH3+])C1CC1 ZINC000853022974 588716558 /nfs/dbraw/zinc/71/65/58/588716558.db2.gz JHRCWGRIXYRAQA-JTQLQIEISA-N 2 1 246.445 1.852 20 0 BDADMP C[C@](O)(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000112466181 588799085 /nfs/dbraw/zinc/79/90/85/588799085.db2.gz TXBDVMGWAHOMOO-GUTXKFCHSA-N 2 1 246.354 1.045 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCCOC ZINC000130934030 582595405 /nfs/dbraw/zinc/59/54/05/582595405.db2.gz LSHCPZWZOGSJBW-GFCCVEGCSA-N 2 1 214.353 1.487 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1CCCCOC ZINC000130934030 582595407 /nfs/dbraw/zinc/59/54/07/582595407.db2.gz LSHCPZWZOGSJBW-GFCCVEGCSA-N 2 1 214.353 1.487 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CCO ZINC000779346258 582668260 /nfs/dbraw/zinc/66/82/60/582668260.db2.gz FZTJVMHDGPIRMX-NSHDSACASA-N 2 1 225.336 1.332 20 0 BDADMP Cc1cc(N)nc(NCC(C)(C)[NH+](C)C)[nH+]1 ZINC000891495596 582693480 /nfs/dbraw/zinc/69/34/80/582693480.db2.gz RNCXBFZOSHIUEE-UHFFFAOYSA-N 2 1 223.324 1.119 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000146484201 582772435 /nfs/dbraw/zinc/77/24/35/582772435.db2.gz NNGFESWCWRUOSO-UHFFFAOYSA-N 3 1 213.369 1.189 20 0 BDADMP C[N@H+](CCCCCC[NH3+])C1CCNCC1 ZINC000146484201 582772437 /nfs/dbraw/zinc/77/24/37/582772437.db2.gz NNGFESWCWRUOSO-UHFFFAOYSA-N 2 1 213.369 1.189 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C1CCNCC1 ZINC000146484201 582772439 /nfs/dbraw/zinc/77/24/39/582772439.db2.gz NNGFESWCWRUOSO-UHFFFAOYSA-N 2 1 213.369 1.189 20 0 BDADMP CNC(=[NH2+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000848988175 582818705 /nfs/dbraw/zinc/81/87/05/582818705.db2.gz KCYRJSVFIJVXDO-PHIMTYICSA-N 2 1 226.368 1.098 20 0 BDADMP C[C@H](CCCCO)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000393737186 582921559 /nfs/dbraw/zinc/92/15/59/582921559.db2.gz AQGKRUYKHZHLNT-GFCCVEGCSA-N 2 1 226.364 1.389 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000851985998 582990224 /nfs/dbraw/zinc/99/02/24/582990224.db2.gz YHEGXZMGQVULRG-MELADBBJSA-N 2 1 240.391 1.970 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857085134 588886506 /nfs/dbraw/zinc/88/65/06/588886506.db2.gz ISSPPPGFTYXYQS-QWHCGFSZSA-N 2 1 225.380 1.319 20 0 BDADMP [NH3+]CCCCCCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857085134 588886507 /nfs/dbraw/zinc/88/65/07/588886507.db2.gz ISSPPPGFTYXYQS-QWHCGFSZSA-N 2 1 225.380 1.319 20 0 BDADMP N[C@@]12CCC[C@H]1C[N@H+](CCCCCC[NH3+])C2 ZINC000857085134 588886508 /nfs/dbraw/zinc/88/65/08/588886508.db2.gz ISSPPPGFTYXYQS-QWHCGFSZSA-N 2 1 225.380 1.319 20 0 BDADMP N[C@@]12CCC[C@H]1C[N@@H+](CCCCCC[NH3+])C2 ZINC000857085134 588886509 /nfs/dbraw/zinc/88/65/09/588886509.db2.gz ISSPPPGFTYXYQS-QWHCGFSZSA-N 2 1 225.380 1.319 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000222971203 583179655 /nfs/dbraw/zinc/17/96/55/583179655.db2.gz NBKANAZULQYDFC-MCIONIFRSA-N 2 1 239.407 1.720 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000893888604 583243670 /nfs/dbraw/zinc/24/36/70/583243670.db2.gz KPRGVRGOJDUPGD-AGIUHOORSA-N 2 1 240.391 1.826 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000894670664 583503610 /nfs/dbraw/zinc/50/36/10/583503610.db2.gz KGCMGETXVSRFTE-LLVKDONJSA-N 2 1 200.301 1.372 20 0 BDADMP COC[C@]1(C)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894671744 583504329 /nfs/dbraw/zinc/50/43/29/583504329.db2.gz QOOCYUYKELQHHD-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP Cc1ncoc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000894780957 583520363 /nfs/dbraw/zinc/52/03/63/583520363.db2.gz BJAMBDYJICHRSA-CHWSQXEVSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000894780957 583520365 /nfs/dbraw/zinc/52/03/65/583520365.db2.gz BJAMBDYJICHRSA-CHWSQXEVSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000894780957 583520367 /nfs/dbraw/zinc/52/03/67/583520367.db2.gz BJAMBDYJICHRSA-CHWSQXEVSA-N 2 1 249.358 1.899 20 0 BDADMP Cc1ncoc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000894780957 583520369 /nfs/dbraw/zinc/52/03/69/583520369.db2.gz BJAMBDYJICHRSA-CHWSQXEVSA-N 2 1 249.358 1.899 20 0 BDADMP COC[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894784826 583521587 /nfs/dbraw/zinc/52/15/87/583521587.db2.gz QOOCRTXBWCICCJ-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+]1CCC(C[NH+]2CC(OCC(F)F)C2)CC1 ZINC000894824700 583526176 /nfs/dbraw/zinc/52/61/76/583526176.db2.gz DEHQQLDSIQCDRJ-UHFFFAOYSA-N 2 1 248.317 1.294 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc[nH]2)C1 ZINC000894986951 583565457 /nfs/dbraw/zinc/56/54/57/583565457.db2.gz WZABZUONDBLMKY-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]cn2)C1 ZINC000894986951 583565459 /nfs/dbraw/zinc/56/54/59/583565459.db2.gz WZABZUONDBLMKY-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]cn2)C1 ZINC000894986951 583565460 /nfs/dbraw/zinc/56/54/60/583565460.db2.gz WZABZUONDBLMKY-LLVKDONJSA-N 2 1 222.336 1.231 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000895146278 583604469 /nfs/dbraw/zinc/60/44/69/583604469.db2.gz DQBAFBZPNCTSJE-OCCSQVGLSA-N 2 1 240.391 1.828 20 0 BDADMP Cc1cn[nH]c1CNCC[C@H](C)[NH+](C)C ZINC000895292126 583637543 /nfs/dbraw/zinc/63/75/43/583637543.db2.gz FBCHBLXIKVREOI-JTQLQIEISA-N 2 1 210.325 1.148 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cnc2ccccn12)[NH+](C)C ZINC000895300547 583642321 /nfs/dbraw/zinc/64/23/21/583642321.db2.gz YRXGRBISXPQYAV-LBPRGKRZSA-N 2 1 246.358 1.764 20 0 BDADMP CC1=NO[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000895306238 583643547 /nfs/dbraw/zinc/64/35/47/583643547.db2.gz BLTMTKHPCBJCPT-AGIUHOORSA-N 2 1 237.347 1.368 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000895306238 583643550 /nfs/dbraw/zinc/64/35/50/583643550.db2.gz BLTMTKHPCBJCPT-AGIUHOORSA-N 2 1 237.347 1.368 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000895306238 583643553 /nfs/dbraw/zinc/64/35/53/583643553.db2.gz BLTMTKHPCBJCPT-AGIUHOORSA-N 2 1 237.347 1.368 20 0 BDADMP Cc1nc(C)c(C)c(N[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000895741039 583714353 /nfs/dbraw/zinc/71/43/53/583714353.db2.gz XEBSLTQNQUJWLL-ZYHUDNBSSA-N 2 1 234.347 1.906 20 0 BDADMP C[N@H+]1CC[C@H]1CNc1cc(NC2CC2)ncn1 ZINC000895769021 583724069 /nfs/dbraw/zinc/72/40/69/583724069.db2.gz LLQLTBSEEATMDD-JTQLQIEISA-N 2 1 233.319 1.167 20 0 BDADMP CN1CC[C@H]1CNc1cc(NC2CC2)ncn1 ZINC000895769021 583724072 /nfs/dbraw/zinc/72/40/72/583724072.db2.gz LLQLTBSEEATMDD-JTQLQIEISA-N 2 1 233.319 1.167 20 0 BDADMP CC[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1C ZINC000895800559 583730972 /nfs/dbraw/zinc/73/09/72/583730972.db2.gz AMUWZALXXUJDOU-CYBMUJFWSA-N 2 1 249.358 1.335 20 0 BDADMP C[NH+]1CCC(C[N@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000895849324 583736425 /nfs/dbraw/zinc/73/64/25/583736425.db2.gz UCOLQKDVOXEGFP-ZDUSSCGKSA-N 2 1 240.391 1.421 20 0 BDADMP CCO[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C[NH+](C)C ZINC000896879193 583844825 /nfs/dbraw/zinc/84/48/25/583844825.db2.gz ZTMSYVYAYOMANY-CRWXNKLISA-N 2 1 240.391 1.589 20 0 BDADMP C[C@@H](C[NH2+]Cc1ccnc(F)c1)C[NH+](C)C ZINC000858167106 588936507 /nfs/dbraw/zinc/93/65/07/588936507.db2.gz KRGPSKIFPGXWFN-JTQLQIEISA-N 2 1 225.311 1.508 20 0 BDADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000858099219 588932839 /nfs/dbraw/zinc/93/28/39/588932839.db2.gz UXHUBPFNLVCLJU-OLZOCXBDSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000858099219 588932840 /nfs/dbraw/zinc/93/28/40/588932840.db2.gz UXHUBPFNLVCLJU-OLZOCXBDSA-N 2 1 249.333 1.937 20 0 BDADMP CCC[N@H+]1CC[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858361119 588949002 /nfs/dbraw/zinc/94/90/02/588949002.db2.gz HTFOYYVFEHCCSI-GFCCVEGCSA-N 2 1 249.358 1.718 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@@H+]1C ZINC000897813234 584047010 /nfs/dbraw/zinc/04/70/10/584047010.db2.gz IRMRAQZIRJTINQ-NFIBXUFNSA-N 2 1 236.359 1.235 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@H+]1C ZINC000897813234 584047011 /nfs/dbraw/zinc/04/70/11/584047011.db2.gz IRMRAQZIRJTINQ-NFIBXUFNSA-N 2 1 236.359 1.235 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@@H+]1C ZINC000897813237 584047169 /nfs/dbraw/zinc/04/71/69/584047169.db2.gz IRMRAQZIRJTINQ-UCHMUAQZSA-N 2 1 236.359 1.235 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@H+]1C ZINC000897813237 584047170 /nfs/dbraw/zinc/04/71/70/584047170.db2.gz IRMRAQZIRJTINQ-UCHMUAQZSA-N 2 1 236.359 1.235 20 0 BDADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858430335 588953911 /nfs/dbraw/zinc/95/39/11/588953911.db2.gz UCTBLWZKKNBHQM-GFCCVEGCSA-N 2 1 249.358 1.352 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]32)CC1 ZINC000897955326 584065381 /nfs/dbraw/zinc/06/53/81/584065381.db2.gz SIEDTRTYKMDJTE-RAIGVLPGSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]([NH2+][C@H](C)[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000873270548 584128780 /nfs/dbraw/zinc/12/87/80/584128780.db2.gz WSBIRQRPRJLIOZ-YRGRVCCFSA-N 2 1 239.407 1.495 20 0 BDADMP CC[N@@H+](CCNC(=[NH2+])N[C@@H](C)C1CC1)C1CC1 ZINC000899264335 584189008 /nfs/dbraw/zinc/18/90/08/584189008.db2.gz BUPPCEIVZZCYPW-JTQLQIEISA-N 2 1 238.379 1.383 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CC2)cn1 ZINC000902407781 584574847 /nfs/dbraw/zinc/57/48/47/584574847.db2.gz UKDNTJIELQPVET-SNVBAGLBSA-N 2 1 235.331 1.102 20 0 BDADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CC2)[C@@H]1C ZINC000902403613 584588052 /nfs/dbraw/zinc/58/80/52/584588052.db2.gz AGKXOMSGIGZILH-OUAUKWLOSA-N 2 1 240.347 1.045 20 0 BDADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CC2)[C@H]1C ZINC000902403611 584588311 /nfs/dbraw/zinc/58/83/11/584588311.db2.gz AGKXOMSGIGZILH-GARJFASQSA-N 2 1 240.347 1.045 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000902431726 584595692 /nfs/dbraw/zinc/59/56/92/584595692.db2.gz UFTFMULUGTYLHT-UPJWGTAASA-N 2 1 238.375 1.674 20 0 BDADMP NOCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000902414995 584600679 /nfs/dbraw/zinc/60/06/79/584600679.db2.gz IVZYNBZPGLAOOU-UONOGXRCSA-N 2 1 249.358 1.350 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCO1 ZINC000902474108 584601812 /nfs/dbraw/zinc/60/18/12/584601812.db2.gz CKMBSZPCKCFBOB-ZIQFBCGOSA-N 2 1 210.321 1.036 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC2(C)C)C1(C)C ZINC000902448944 584605462 /nfs/dbraw/zinc/60/54/62/584605462.db2.gz JUMTZIXOYFGJGN-GRYCIOLGSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000902449426 584606393 /nfs/dbraw/zinc/60/63/93/584606393.db2.gz OGCIAGJQRPHTMO-OUAUKWLOSA-N 2 1 212.337 1.142 20 0 BDADMP COC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C(C)C ZINC000902450855 584606705 /nfs/dbraw/zinc/60/67/05/584606705.db2.gz UVLJNQYJKSWTCD-MNOVXSKESA-N 2 1 214.353 1.245 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1c[nH+]ccc1N ZINC000902453696 584607858 /nfs/dbraw/zinc/60/78/58/584607858.db2.gz PINSUMVXYFPPEG-HHMMBOOGSA-N 2 1 245.326 1.321 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000902454841 584609439 /nfs/dbraw/zinc/60/94/39/584609439.db2.gz IWXRYMOHMCUWHB-ZJUUUORDSA-N 2 1 232.287 1.192 20 0 BDADMP CC1(C)CC[N@@H+](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000902458470 584610907 /nfs/dbraw/zinc/61/09/07/584610907.db2.gz XZWKVUXLJFABJL-LBPRGKRZSA-N 2 1 239.407 1.448 20 0 BDADMP CC(C)C1CC([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902469485 584615414 /nfs/dbraw/zinc/61/54/14/584615414.db2.gz RJJNCUVHTLQVRW-BEZKJRAVSA-N 2 1 208.349 1.904 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000902471229 584616766 /nfs/dbraw/zinc/61/67/66/584616766.db2.gz KQBDHXUECULBAZ-IYKVGLELSA-N 2 1 210.321 1.036 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472152 584617100 /nfs/dbraw/zinc/61/71/00/584617100.db2.gz YCUAIXONOBYWJP-UMSGYPCISA-N 2 1 226.364 1.674 20 0 BDADMP C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1c[nH+]ccc1N ZINC000902502912 584620518 /nfs/dbraw/zinc/62/05/18/584620518.db2.gz HKVOAUGYWLVKOK-RNCFNFMXSA-N 2 1 235.331 1.306 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H](O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000902506264 584622013 /nfs/dbraw/zinc/62/20/13/584622013.db2.gz XSNZBUXUHDPWSE-RAIGVLPGSA-N 2 1 226.364 1.268 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)[C@@H]1CCCO1 ZINC000902482468 584623746 /nfs/dbraw/zinc/62/37/46/584623746.db2.gz LPHAMVIOGVLLRU-XQQFMLRXSA-N 2 1 226.364 1.676 20 0 BDADMP Cc1ncccc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000902514053 584629547 /nfs/dbraw/zinc/62/95/47/584629547.db2.gz PLBLFLMPPDQKMM-SMDDNHRTSA-N 2 1 233.359 1.520 20 0 BDADMP Cc1ncccc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000902514667 584629561 /nfs/dbraw/zinc/62/95/61/584629561.db2.gz UGTULVIVCKNHQQ-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP CC[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902520840 584631420 /nfs/dbraw/zinc/63/14/20/584631420.db2.gz PMTAZZTUMIZRTA-RFGFWPKPSA-N 2 1 238.375 1.532 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441489 584763740 /nfs/dbraw/zinc/76/37/40/584763740.db2.gz USVTZVYEAUNTRU-HZSPNIEDSA-N 2 1 240.391 1.589 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903459195 584765973 /nfs/dbraw/zinc/76/59/73/584765973.db2.gz DQYZNSIPRHGITP-ITGHMWBKSA-N 3 1 239.407 1.419 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CCOC1CC1)CC[NH2+]CC2 ZINC000903459376 584766209 /nfs/dbraw/zinc/76/62/09/584766209.db2.gz HWZWXUKLGVMOQS-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC000903464250 584767514 /nfs/dbraw/zinc/76/75/14/584767514.db2.gz FDESFUHEVDECFQ-MJBXVCDLSA-N 2 1 238.375 1.616 20 0 BDADMP C[C@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000903443659 584768519 /nfs/dbraw/zinc/76/85/19/584768519.db2.gz GVIKJUQCPQAIRC-YNEHKIRRSA-N 2 1 225.380 1.153 20 0 BDADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903445070 584769240 /nfs/dbraw/zinc/76/92/40/584769240.db2.gz XRTTYKMIAIRAFR-MJBXVCDLSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\Cl ZINC000903446607 584770208 /nfs/dbraw/zinc/77/02/08/584770208.db2.gz ZNDPKWDDEINOKG-XPARGYADSA-N 2 1 214.740 1.669 20 0 BDADMP C[C@H](c1ncccn1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000903447582 584770475 /nfs/dbraw/zinc/77/04/75/584770475.db2.gz YOCDBNQZNSXVRF-YVECIDJPSA-N 2 1 246.358 1.597 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000903447582 584770477 /nfs/dbraw/zinc/77/04/77/584770477.db2.gz YOCDBNQZNSXVRF-YVECIDJPSA-N 2 1 246.358 1.597 20 0 BDADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454830 584773488 /nfs/dbraw/zinc/77/34/88/584773488.db2.gz KETUXBGZZKQRQW-RXGFPQBGSA-N 3 1 225.380 1.090 20 0 BDADMP CC1(C)CO[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903472928 584775949 /nfs/dbraw/zinc/77/59/49/584775949.db2.gz XDRWXAOOBQSXDP-VXGBXAGGSA-N 2 1 238.375 1.676 20 0 BDADMP C[N@H+]1CC[C@H]2CN(C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475818 584776655 /nfs/dbraw/zinc/77/66/55/584776655.db2.gz FADXWBLHPNWVPQ-RFGFWPKPSA-N 2 1 237.391 1.140 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475818 584776656 /nfs/dbraw/zinc/77/66/56/584776656.db2.gz FADXWBLHPNWVPQ-RFGFWPKPSA-N 3 1 237.391 1.140 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475818 584776657 /nfs/dbraw/zinc/77/66/57/584776657.db2.gz FADXWBLHPNWVPQ-RFGFWPKPSA-N 3 1 237.391 1.140 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475818 584776658 /nfs/dbraw/zinc/77/66/58/584776658.db2.gz FADXWBLHPNWVPQ-RFGFWPKPSA-N 3 1 237.391 1.140 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903475818 584776659 /nfs/dbraw/zinc/77/66/59/584776659.db2.gz FADXWBLHPNWVPQ-RFGFWPKPSA-N 3 1 237.391 1.140 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3c(O)cccc3C2)C1 ZINC000903475016 584776667 /nfs/dbraw/zinc/77/66/67/584776667.db2.gz ZAVYBRFCMKNLQM-WCQYABFASA-N 2 1 246.354 1.878 20 0 BDADMP C(COC1CC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481613 584777879 /nfs/dbraw/zinc/77/78/79/584777879.db2.gz HXCPYYNTWNWQCA-GFCCVEGCSA-N 2 1 224.348 1.430 20 0 BDADMP c1cnn(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903483088 584778788 /nfs/dbraw/zinc/77/87/88/584778788.db2.gz DDRLPZVLENHDJG-GFCCVEGCSA-N 2 1 234.347 1.147 20 0 BDADMP COC(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484826 584779368 /nfs/dbraw/zinc/77/93/68/584779368.db2.gz WJHRAZUMDAYFCF-LLVKDONJSA-N 2 1 240.347 1.204 20 0 BDADMP c1ccc([C@]23C[C@H]2C[N@H+](C[C@H]2CC[NH2+]C2)C3)cc1 ZINC000903491217 584780898 /nfs/dbraw/zinc/78/08/98/584780898.db2.gz ZNSVZSAMKHZJDM-CWRNSKLLSA-N 2 1 242.366 1.869 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729003 584792724 /nfs/dbraw/zinc/79/27/24/584792724.db2.gz JCQOLCQXGZGEJH-MELADBBJSA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903747248 584794693 /nfs/dbraw/zinc/79/46/93/584794693.db2.gz QMBULJLJDSDCRQ-KGLIPLIRSA-N 3 1 239.407 1.437 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903749903 584794946 /nfs/dbraw/zinc/79/49/46/584794946.db2.gz RWIYYNXHZFERBV-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903749903 584794948 /nfs/dbraw/zinc/79/49/48/584794948.db2.gz RWIYYNXHZFERBV-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000903752658 584795298 /nfs/dbraw/zinc/79/52/98/584795298.db2.gz PBPOCWBXQHLGOB-HBNTYKKESA-N 2 1 242.363 1.149 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000903752292 584795664 /nfs/dbraw/zinc/79/56/64/584795664.db2.gz MHAQJUABDLGAAF-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000903752292 584795666 /nfs/dbraw/zinc/79/56/66/584795666.db2.gz MHAQJUABDLGAAF-TZMCWYRMSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734383 584796332 /nfs/dbraw/zinc/79/63/32/584796332.db2.gz YSLOXZXBSJIHPV-RQJABVFESA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903744483 584796422 /nfs/dbraw/zinc/79/64/22/584796422.db2.gz TYJQUUQOMGZWGY-RWMBFGLXSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903744483 584796423 /nfs/dbraw/zinc/79/64/23/584796423.db2.gz TYJQUUQOMGZWGY-RWMBFGLXSA-N 3 1 225.380 1.045 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903744526 584796692 /nfs/dbraw/zinc/79/66/92/584796692.db2.gz UKNTUVKBKVQYPV-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903744526 584796694 /nfs/dbraw/zinc/79/66/94/584796694.db2.gz UKNTUVKBKVQYPV-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903767423 584797733 /nfs/dbraw/zinc/79/77/33/584797733.db2.gz XIQVRSRCDKXPQQ-IHRRRGAJSA-N 2 1 238.375 1.344 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903780001 584799551 /nfs/dbraw/zinc/79/95/51/584799551.db2.gz CJXXYHMERVIOJJ-AWEZNQCLSA-N 3 1 241.423 1.827 20 0 BDADMP FC[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903781868 584799738 /nfs/dbraw/zinc/79/97/38/584799738.db2.gz CCRKTFMLJVZRIL-AVGNSLFASA-N 2 1 242.338 1.046 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CCCCO1 ZINC000903801516 584801936 /nfs/dbraw/zinc/80/19/36/584801936.db2.gz OBFFQOKQAUSINT-MELADBBJSA-N 2 1 238.375 1.759 20 0 BDADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CCCCO1 ZINC000903801516 584801938 /nfs/dbraw/zinc/80/19/38/584801938.db2.gz OBFFQOKQAUSINT-MELADBBJSA-N 2 1 238.375 1.759 20 0 BDADMP C[C@]12C[N@@H+](CCC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825684 584804540 /nfs/dbraw/zinc/80/45/40/584804540.db2.gz CLSJGBCBUKVDGP-QNWHQSFQSA-N 2 1 208.349 1.703 20 0 BDADMP C[C@]12C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826321 584804851 /nfs/dbraw/zinc/80/48/51/584804851.db2.gz IDZDICKKAONDOS-VYDRJRHOSA-N 2 1 232.371 1.882 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccns1)C2 ZINC000903840722 584807322 /nfs/dbraw/zinc/80/73/22/584807322.db2.gz TZPKJIDEQPYVJP-AXFHLTTASA-N 2 1 237.372 1.497 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000903849821 584808296 /nfs/dbraw/zinc/80/82/96/584808296.db2.gz HQMWCGQVKZYJFB-UONOGXRCSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000903849821 584808297 /nfs/dbraw/zinc/80/82/97/584808297.db2.gz HQMWCGQVKZYJFB-UONOGXRCSA-N 2 1 216.328 2.000 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCCCF ZINC000903859000 584810610 /nfs/dbraw/zinc/81/06/10/584810610.db2.gz KTUKCXXGSAPRFK-NWDGAFQWSA-N 2 1 214.328 1.939 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCCCF ZINC000903859000 584810612 /nfs/dbraw/zinc/81/06/12/584810612.db2.gz KTUKCXXGSAPRFK-NWDGAFQWSA-N 2 1 214.328 1.939 20 0 BDADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CCC1 ZINC000903859850 584810921 /nfs/dbraw/zinc/81/09/21/584810921.db2.gz OZQYDALPEKYYTA-MJBXVCDLSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CCC1 ZINC000903859850 584810923 /nfs/dbraw/zinc/81/09/23/584810923.db2.gz OZQYDALPEKYYTA-MJBXVCDLSA-N 2 1 238.375 1.615 20 0 BDADMP COC(=O)CCCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903860873 584812613 /nfs/dbraw/zinc/81/26/13/584812613.db2.gz UNANYRMBPRFUJZ-DGCLKSJQSA-N 2 1 240.347 1.143 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903860873 584812614 /nfs/dbraw/zinc/81/26/14/584812614.db2.gz UNANYRMBPRFUJZ-DGCLKSJQSA-N 2 1 240.347 1.143 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2C[C@@H](O)c1ccccc1 ZINC000903863424 584813222 /nfs/dbraw/zinc/81/32/22/584813222.db2.gz LVBOHLAJUKZXOP-ZNMIVQPWSA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2C[C@@H](O)c1ccccc1 ZINC000903863424 584813224 /nfs/dbraw/zinc/81/32/24/584813224.db2.gz LVBOHLAJUKZXOP-ZNMIVQPWSA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H](O)c1ccccc1 ZINC000903863423 584813428 /nfs/dbraw/zinc/81/34/28/584813428.db2.gz LVBOHLAJUKZXOP-RRFJBIMHSA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H](O)c1ccccc1 ZINC000903863423 584813429 /nfs/dbraw/zinc/81/34/29/584813429.db2.gz LVBOHLAJUKZXOP-RRFJBIMHSA-N 2 1 246.354 1.533 20 0 BDADMP Cn1c[nH+]cc1CCCN1CCC[C@]12CC[NH2+]C2 ZINC000903871322 584815050 /nfs/dbraw/zinc/81/50/50/584815050.db2.gz SEINHIZJRLVCMO-CQSZACIVSA-N 2 1 248.374 1.181 20 0 BDADMP C[C@]1(C2CC2)COCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903882494 584818062 /nfs/dbraw/zinc/81/80/62/584818062.db2.gz OEKFEXRELKBKKG-WCQYABFASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@]1(C2CC2)COCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000903882494 584818063 /nfs/dbraw/zinc/81/80/63/584818063.db2.gz OEKFEXRELKBKKG-WCQYABFASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)C1CCOCC1 ZINC000903921831 584823146 /nfs/dbraw/zinc/82/31/46/584823146.db2.gz RDSOTIQXGXCSGF-PSASIEDQSA-N 2 1 236.306 1.374 20 0 BDADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903920511 584823421 /nfs/dbraw/zinc/82/34/21/584823421.db2.gz VMCQAJIKTUZYLX-GHMZBOCLSA-N 3 1 233.359 1.158 20 0 BDADMP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CC(F)F ZINC000903930516 584825075 /nfs/dbraw/zinc/82/50/75/584825075.db2.gz ZFEHXYCSCBBOFT-KATARQTJSA-N 2 1 218.291 1.747 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]C[C@H]([NH3+])CC(F)F)cc1 ZINC000903931420 584825119 /nfs/dbraw/zinc/82/51/19/584825119.db2.gz DGMSTWLJCRSROL-LLVKDONJSA-N 3 1 243.301 1.217 20 0 BDADMP N[C@@H](C[NH2+]Cc1ccc(C[NH3+])cc1)CC(F)F ZINC000903931420 584825120 /nfs/dbraw/zinc/82/51/20/584825120.db2.gz DGMSTWLJCRSROL-LLVKDONJSA-N 2 1 243.301 1.217 20 0 BDADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(CN)CCC1 ZINC000903915840 584827023 /nfs/dbraw/zinc/82/70/23/584827023.db2.gz CGOWKBIUJNGPFH-YHWZYXNKSA-N 2 1 237.391 1.330 20 0 BDADMP CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(C[NH3+])CCC1 ZINC000903915840 584827024 /nfs/dbraw/zinc/82/70/24/584827024.db2.gz CGOWKBIUJNGPFH-YHWZYXNKSA-N 2 1 237.391 1.330 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903918197 584827134 /nfs/dbraw/zinc/82/71/34/584827134.db2.gz UWKVBMGTUZNBAZ-HKJOBYGYSA-N 3 1 249.402 1.201 20 0 BDADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903918197 584827135 /nfs/dbraw/zinc/82/71/35/584827135.db2.gz UWKVBMGTUZNBAZ-HKJOBYGYSA-N 3 1 249.402 1.201 20 0 BDADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939959 584828865 /nfs/dbraw/zinc/82/88/65/584828865.db2.gz RMEHNQKNXBREKU-QWRGUYRKSA-N 3 1 213.369 1.234 20 0 BDADMP CC1(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903974682 584832475 /nfs/dbraw/zinc/83/24/75/584832475.db2.gz WBXBLZSLXNBJAN-GFCCVEGCSA-N 2 1 238.375 1.535 20 0 BDADMP CC1(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903974683 584832763 /nfs/dbraw/zinc/83/27/63/584832763.db2.gz WBXBLZSLXNBJAN-LBPRGKRZSA-N 2 1 238.375 1.535 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cnc(N)s2)C[C@H]1CC[NH3+] ZINC000903978202 584833160 /nfs/dbraw/zinc/83/31/60/584833160.db2.gz JSHKRGQMDCVLFU-RKDXNWHRSA-N 2 1 240.376 1.142 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000903963925 584833901 /nfs/dbraw/zinc/83/39/01/584833901.db2.gz JSLLYXQJWCVIHM-BYCMXARLSA-N 2 1 230.355 1.741 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC000903964803 584834377 /nfs/dbraw/zinc/83/43/77/584834377.db2.gz RDSFYRSMBBFVAX-KOLCDFICSA-N 2 1 239.750 1.680 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903986620 584835450 /nfs/dbraw/zinc/83/54/50/584835450.db2.gz NGXWEIYWPUQQNB-SYEHKZFSSA-N 2 1 224.348 1.142 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000904297377 584860136 /nfs/dbraw/zinc/86/01/36/584860136.db2.gz KQNPVRIPXDJSMK-MQYQWHSLSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904299485 584860734 /nfs/dbraw/zinc/86/07/34/584860734.db2.gz FQGOJEYBISLBHM-IUODEOHRSA-N 3 1 247.386 1.847 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000904299485 584860735 /nfs/dbraw/zinc/86/07/35/584860735.db2.gz FQGOJEYBISLBHM-IUODEOHRSA-N 3 1 247.386 1.847 20 0 BDADMP C[NH2+]CC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904299562 584860753 /nfs/dbraw/zinc/86/07/53/584860753.db2.gz HYQOKWYLNFVUCY-AWEZNQCLSA-N 2 1 239.407 1.308 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904307076 584862354 /nfs/dbraw/zinc/86/23/54/584862354.db2.gz KCHZTUKAJROQFC-AWEZNQCLSA-N 2 1 242.407 1.861 20 0 BDADMP Cc1cc([C@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000904309237 584862510 /nfs/dbraw/zinc/86/25/10/584862510.db2.gz DYUZFCCHSJTAOU-NTZNESFSSA-N 2 1 235.331 1.857 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CO)C1 ZINC000904315996 584862866 /nfs/dbraw/zinc/86/28/66/584862866.db2.gz IEPYXLCTGQZQMY-VXGBXAGGSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](CO)C1 ZINC000904315996 584862867 /nfs/dbraw/zinc/86/28/67/584862867.db2.gz IEPYXLCTGQZQMY-VXGBXAGGSA-N 2 1 228.380 1.454 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC000904337007 584863190 /nfs/dbraw/zinc/86/31/90/584863190.db2.gz MGDRRWCSOBJRIC-RWMBFGLXSA-N 2 1 231.343 1.608 20 0 BDADMP CC(C)(C)N1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904314469 584863279 /nfs/dbraw/zinc/86/32/79/584863279.db2.gz YHYHNXCXLFZXMO-BETUJISGSA-N 2 1 239.407 1.530 20 0 BDADMP CC(C)(C)[N@@H+]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904314469 584863280 /nfs/dbraw/zinc/86/32/80/584863280.db2.gz YHYHNXCXLFZXMO-BETUJISGSA-N 2 1 239.407 1.530 20 0 BDADMP CC(C)(C)[N@H+]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904314469 584863281 /nfs/dbraw/zinc/86/32/81/584863281.db2.gz YHYHNXCXLFZXMO-BETUJISGSA-N 2 1 239.407 1.530 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325191 584865332 /nfs/dbraw/zinc/86/53/32/584865332.db2.gz SECSCLOUIZQHSB-MELADBBJSA-N 3 1 239.407 1.387 20 0 BDADMP CCC[C@@](C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(=O)OC ZINC000904328024 584865657 /nfs/dbraw/zinc/86/56/57/584865657.db2.gz LSMMGJATBAXBQT-JFGNBEQYSA-N 2 1 228.336 1.045 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000904332164 584866114 /nfs/dbraw/zinc/86/61/14/584866114.db2.gz NTVSQCNRZJSMNZ-TXEJJXNPSA-N 2 1 235.331 1.259 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1O ZINC000904341480 584867072 /nfs/dbraw/zinc/86/70/72/584867072.db2.gz RWKLUHKDQLUERY-FRRDWIJNSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1CC2(CCC2)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347189 584868257 /nfs/dbraw/zinc/86/82/57/584868257.db2.gz DZGJEZOCSRSWMR-SDDRHHMPSA-N 2 1 208.349 1.988 20 0 BDADMP [NH3+]CC1CC([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000904350635 584869094 /nfs/dbraw/zinc/86/90/94/584869094.db2.gz NXOUKHRHVPJDAB-UHFFFAOYSA-N 3 1 239.407 1.626 20 0 BDADMP C[C@]1(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1 ZINC000904355170 584870983 /nfs/dbraw/zinc/87/09/83/584870983.db2.gz LFULMUGOMSTYBL-KBPBESRZSA-N 3 1 239.407 1.355 20 0 BDADMP C[C@@H](CC[NH3+])[NH2+]Cc1nccn1C1CC1 ZINC000904356063 584871444 /nfs/dbraw/zinc/87/14/44/584871444.db2.gz SKXOOUCFNGZXPZ-VIFPVBQESA-N 2 1 208.309 1.045 20 0 BDADMP CCCCN1CCC([NH2+]C2CC(C[NH3+])C2)CC1 ZINC000904363115 584874317 /nfs/dbraw/zinc/87/43/17/584874317.db2.gz BHFYTOIDUMSWSP-UHFFFAOYSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@@H](CN1CC[NH2+]CC[NH2+]CC1)c1ccccc1 ZINC000904397062 584875431 /nfs/dbraw/zinc/87/54/31/584875431.db2.gz XQRKOUMWIPUWJH-AWEZNQCLSA-N 2 1 247.386 1.285 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C2(CCC2)CO1 ZINC000904375679 584875546 /nfs/dbraw/zinc/87/55/46/584875546.db2.gz FENNSHORGMWHIL-UTUOFQBUSA-N 2 1 224.348 1.367 20 0 BDADMP C[C@H](O)C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1CC1 ZINC000904377646 584875835 /nfs/dbraw/zinc/87/58/35/584875835.db2.gz VPGZBDCOJZEPPT-NWDGAFQWSA-N 2 1 242.407 1.985 20 0 BDADMP C[C@H](O)C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1CC1 ZINC000904377646 584875836 /nfs/dbraw/zinc/87/58/36/584875836.db2.gz VPGZBDCOJZEPPT-NWDGAFQWSA-N 2 1 242.407 1.985 20 0 BDADMP Cc1cc([NH2+]C[C@H]2C[C@@H]([NH3+])C2)ccc1N ZINC000904379732 584876619 /nfs/dbraw/zinc/87/66/19/584876619.db2.gz VSODKUXUNICXPD-AOOOYVTPSA-N 2 1 205.305 1.726 20 0 BDADMP C[N@H+](CC1=CCSC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904378957 584876669 /nfs/dbraw/zinc/87/66/69/584876669.db2.gz NQTGKHMWUGGXSW-PHIMTYICSA-N 2 1 212.362 1.329 20 0 BDADMP [NH3+]Cc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000904380411 584876703 /nfs/dbraw/zinc/87/67/03/584876703.db2.gz BTAJSCXEGJNREN-OAHLLOKOSA-N 3 1 247.386 1.849 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000904380411 584876704 /nfs/dbraw/zinc/87/67/04/584876704.db2.gz BTAJSCXEGJNREN-OAHLLOKOSA-N 3 1 247.386 1.849 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000904385732 584877967 /nfs/dbraw/zinc/87/79/67/584877967.db2.gz DDWCTMILXOUKKS-NDBYEHHHSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)CC[NH2+]1 ZINC000904407107 584878652 /nfs/dbraw/zinc/87/86/52/584878652.db2.gz NITMXAUTXWEEQC-JHJVBQTASA-N 3 1 225.380 1.045 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904405303 584878672 /nfs/dbraw/zinc/87/86/72/584878672.db2.gz KIVMICUSZDCRQB-OAHLLOKOSA-N 2 1 247.386 1.993 20 0 BDADMP C[C@H]1C[N@@H+](CC2(F)CC2)CC[C@@H]1C[NH3+] ZINC000904409745 584878974 /nfs/dbraw/zinc/87/89/74/584878974.db2.gz HMDWKTTZKSMIMH-VHSXEESVSA-N 2 1 200.301 1.405 20 0 BDADMP Cc1n[nH]cc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412326 584879731 /nfs/dbraw/zinc/87/97/31/584879731.db2.gz SCVUIHPXPRRHSU-MWLCHTKSSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412326 584879732 /nfs/dbraw/zinc/87/97/32/584879732.db2.gz SCVUIHPXPRRHSU-MWLCHTKSSA-N 2 1 222.336 1.135 20 0 BDADMP Cc1[nH]ncc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412326 584879733 /nfs/dbraw/zinc/87/97/33/584879733.db2.gz SCVUIHPXPRRHSU-MWLCHTKSSA-N 2 1 222.336 1.135 20 0 BDADMP CCc1nn(C)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420382 584882287 /nfs/dbraw/zinc/88/22/87/584882287.db2.gz MVEPGGXRCTVFEJ-NWDGAFQWSA-N 2 1 248.374 1.024 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420382 584882289 /nfs/dbraw/zinc/88/22/89/584882289.db2.gz MVEPGGXRCTVFEJ-NWDGAFQWSA-N 2 1 248.374 1.024 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838859181 585075764 /nfs/dbraw/zinc/07/57/64/585075764.db2.gz DGCOSJJRXHWWJZ-JSGCOSHPSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C2CC2)CC[N@@H+]1C ZINC000838865006 585076430 /nfs/dbraw/zinc/07/64/30/585076430.db2.gz WZSWNHXETGFNTP-WXHSDQCUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C2CC2)CC[N@H+]1C ZINC000838865006 585076431 /nfs/dbraw/zinc/07/64/31/585076431.db2.gz WZSWNHXETGFNTP-WXHSDQCUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)C2CC2)CC[NH+]1C ZINC000838865006 585076432 /nfs/dbraw/zinc/07/64/32/585076432.db2.gz WZSWNHXETGFNTP-WXHSDQCUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)C2CC2)CC[NH+]1C ZINC000838865006 585076433 /nfs/dbraw/zinc/07/64/33/585076433.db2.gz WZSWNHXETGFNTP-WXHSDQCUSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000838989537 585084778 /nfs/dbraw/zinc/08/47/78/585084778.db2.gz VREDVSYIOARVHV-PJXYFTJBSA-N 2 1 221.348 1.987 20 0 BDADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCF)C1 ZINC000759347556 585367264 /nfs/dbraw/zinc/36/72/64/585367264.db2.gz QETYOFVRWKNXQL-LBPRGKRZSA-N 2 1 232.343 1.389 20 0 BDADMP CCN(C)C[C@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767414364 585519317 /nfs/dbraw/zinc/51/93/17/585519317.db2.gz JWAWDMUTPUYOLO-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767414364 585519318 /nfs/dbraw/zinc/51/93/18/585519318.db2.gz JWAWDMUTPUYOLO-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767414364 585519319 /nfs/dbraw/zinc/51/93/19/585519319.db2.gz JWAWDMUTPUYOLO-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000767414364 585519320 /nfs/dbraw/zinc/51/93/20/585519320.db2.gz JWAWDMUTPUYOLO-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767414364 585519321 /nfs/dbraw/zinc/51/93/21/585519321.db2.gz JWAWDMUTPUYOLO-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1CCCC1 ZINC000768770515 585543368 /nfs/dbraw/zinc/54/33/68/585543368.db2.gz HNIMBBVEVZZZMV-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000771799070 585600534 /nfs/dbraw/zinc/60/05/34/585600534.db2.gz JEWRGIVRSVOHTM-ZIAGYGMSSA-N 2 1 240.391 1.611 20 0 BDADMP C[C@@H](CCO)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000779337978 585751601 /nfs/dbraw/zinc/75/16/01/585751601.db2.gz JMKUVGIPXSDLLY-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP COC[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000788484020 585925139 /nfs/dbraw/zinc/92/51/39/585925139.db2.gz UQOJIVGLJMXITK-CQSZACIVSA-N 2 1 240.391 1.687 20 0 BDADMP CC[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000788474877 585925390 /nfs/dbraw/zinc/92/53/90/585925390.db2.gz LCCLGPHFQYEJQX-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000788489127 585925585 /nfs/dbraw/zinc/92/55/85/585925585.db2.gz VOHDITQIOJLIKC-CQSZACIVSA-N 2 1 238.375 1.441 20 0 BDADMP COCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815145565 586670402 /nfs/dbraw/zinc/67/04/02/586670402.db2.gz YRASEMYZGWLUPB-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815145565 586670403 /nfs/dbraw/zinc/67/04/03/586670403.db2.gz YRASEMYZGWLUPB-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP COCC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815145565 586670405 /nfs/dbraw/zinc/67/04/05/586670405.db2.gz YRASEMYZGWLUPB-ZIAGYGMSSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@@H]1CN(CC[NH+]2CCCC2)C[C@H](C)[N@@H+]1C ZINC000815180898 586672796 /nfs/dbraw/zinc/67/27/96/586672796.db2.gz YXMLLFKSKFCUPR-BETUJISGSA-N 2 1 225.380 1.107 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000817903830 586837558 /nfs/dbraw/zinc/83/75/58/586837558.db2.gz LZMLTKUWLRVBCK-YNEHKIRRSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000817911441 586838543 /nfs/dbraw/zinc/83/85/43/586838543.db2.gz AMHFYNNTPZYVRA-CFVMTHIKSA-N 2 1 248.370 1.624 20 0 BDADMP C[C@](O)(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1cccs1 ZINC000817913293 586839163 /nfs/dbraw/zinc/83/91/63/586839163.db2.gz NHBALKMMAQCTAH-SCVCMEIPSA-N 2 1 240.372 1.425 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000817913651 586839550 /nfs/dbraw/zinc/83/95/50/586839550.db2.gz PNMXYOWBRRLMLB-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1CCCN1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817913651 586839552 /nfs/dbraw/zinc/83/95/52/586839552.db2.gz PNMXYOWBRRLMLB-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1ncc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000817915179 586839676 /nfs/dbraw/zinc/83/96/76/586839676.db2.gz IIGOXGBNXYQYFI-CABZTGNLSA-N 2 1 239.388 1.582 20 0 BDADMP CC[C@@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1CCC[NH2+]1 ZINC000817923778 586841754 /nfs/dbraw/zinc/84/17/54/586841754.db2.gz HYSHEGKWQZNZEO-UPJWGTAASA-N 2 1 224.348 1.799 20 0 BDADMP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000817950819 586847132 /nfs/dbraw/zinc/84/71/32/586847132.db2.gz ZTWYFWOFPITHAW-STQMWFEESA-N 2 1 238.375 1.677 20 0 BDADMP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)C[NH3+] ZINC000817965692 586848706 /nfs/dbraw/zinc/84/87/06/586848706.db2.gz BSXLHFGPCFLIGK-ZWNOBZJWSA-N 2 1 204.317 1.919 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000817969930 586856350 /nfs/dbraw/zinc/85/63/50/586856350.db2.gz IIQAYCRZOGLSRB-UWVGGRQHSA-N 2 1 247.342 1.569 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819365995 586957783 /nfs/dbraw/zinc/95/77/83/586957783.db2.gz GJOSNCGZYUYPDO-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841048682 587940167 /nfs/dbraw/zinc/94/01/67/587940167.db2.gz KOIWDUODRHEAGR-ZETCQYMHSA-N 2 1 230.743 1.066 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000841064239 587941259 /nfs/dbraw/zinc/94/12/59/587941259.db2.gz WMOUCGVDLBJMAI-GXTWGEPZSA-N 2 1 240.391 1.923 20 0 BDADMP COCCC1(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000841064212 587941427 /nfs/dbraw/zinc/94/14/27/587941427.db2.gz VSXPVSBJFWLATM-CHWSQXEVSA-N 2 1 240.391 1.923 20 0 BDADMP C[C@H](C[NH3+])[NH2+]Cc1cncc2ccccc21 ZINC000841060177 587941621 /nfs/dbraw/zinc/94/16/21/587941621.db2.gz RVZXJYAFPXXFRC-SNVBAGLBSA-N 2 1 215.300 1.672 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@@H]1[NH3+] ZINC000843051687 588076835 /nfs/dbraw/zinc/07/68/35/588076835.db2.gz KKFYQMSOJUEKIO-ABAIWWIYSA-N 2 1 246.354 1.886 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@H]1[NH3+] ZINC000843051692 588076921 /nfs/dbraw/zinc/07/69/21/588076921.db2.gz KKFYQMSOJUEKIO-XHDPSFHLSA-N 2 1 246.354 1.886 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843057888 588077499 /nfs/dbraw/zinc/07/74/99/588077499.db2.gz NLRHBZVDAGCVGU-AAEUAGOBSA-N 2 1 246.354 1.886 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)CC[NH2+]1 ZINC000843054830 588077650 /nfs/dbraw/zinc/07/76/50/588077650.db2.gz JSMRNBFNQBJVLZ-IWMBGFJWSA-N 3 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCCC[NH3+])[C@H](C)C1 ZINC000843126545 588084496 /nfs/dbraw/zinc/08/44/96/588084496.db2.gz IOFGVLJKQOKKAB-ZIAGYGMSSA-N 3 1 241.423 1.825 20 0 BDADMP CCN1CC[C@@H]([NH2+]CCCCCC[NH3+])[C@H](C)C1 ZINC000843126545 588084498 /nfs/dbraw/zinc/08/44/98/588084498.db2.gz IOFGVLJKQOKKAB-ZIAGYGMSSA-N 2 1 241.423 1.825 20 0 BDADMP CC(C)(C)[NH2+]CCNCCCCCC[NH3+] ZINC000843128375 588085305 /nfs/dbraw/zinc/08/53/05/588085305.db2.gz JGKMNLBFESXUMC-UHFFFAOYSA-N 2 1 215.385 1.483 20 0 BDADMP CC(C)(C)NCC[NH2+]CCCCCC[NH3+] ZINC000843128375 588085307 /nfs/dbraw/zinc/08/53/07/588085307.db2.gz JGKMNLBFESXUMC-UHFFFAOYSA-N 2 1 215.385 1.483 20 0 BDADMP CCCOC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843348903 588101948 /nfs/dbraw/zinc/10/19/48/588101948.db2.gz XHZHQROGLKMMBN-WDEREUQCSA-N 2 1 242.363 1.387 20 0 BDADMP CCCOC(=O)[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354932 588103067 /nfs/dbraw/zinc/10/30/67/588103067.db2.gz MFOVXFQHUJGJJP-VOMCLLRMSA-N 2 1 242.363 1.530 20 0 BDADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC000843355070 588103229 /nfs/dbraw/zinc/10/32/29/588103229.db2.gz LBSSTDUFIKZNAH-UHFFFAOYSA-N 3 1 239.407 1.578 20 0 BDADMP CCCCOC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843362616 588104289 /nfs/dbraw/zinc/10/42/89/588104289.db2.gz LENQZZPCENNHAH-NWDGAFQWSA-N 2 1 242.363 1.389 20 0 BDADMP Nc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000843364745 588104614 /nfs/dbraw/zinc/10/46/14/588104614.db2.gz OYWUWXNHJIXLTQ-UHFFFAOYSA-N 2 1 246.358 1.239 20 0 BDADMP C[N@@H+](CCCCCCC[NH3+])[C@H](CN)C1CC1 ZINC000843387030 588105449 /nfs/dbraw/zinc/10/54/49/588105449.db2.gz NZFRYIPXEHAIKU-CYBMUJFWSA-N 2 1 227.396 1.565 20 0 BDADMP CN(CCCCCCC[NH3+])[C@H](C[NH3+])C1CC1 ZINC000843387030 588105450 /nfs/dbraw/zinc/10/54/50/588105450.db2.gz NZFRYIPXEHAIKU-CYBMUJFWSA-N 2 1 227.396 1.565 20 0 BDADMP FCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386058 588105844 /nfs/dbraw/zinc/10/58/44/588105844.db2.gz BISCPNFQVISLMP-VXGBXAGGSA-N 2 1 214.328 1.668 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]Cc1cccc2c1CCC2 ZINC000844903183 588218935 /nfs/dbraw/zinc/21/89/35/588218935.db2.gz YZKAGAMXDXDBQC-JTQLQIEISA-N 2 1 204.317 1.612 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000846217081 588260454 /nfs/dbraw/zinc/26/04/54/588260454.db2.gz ZEYMZRXRRBAZHZ-LBPRGKRZSA-N 2 1 213.369 1.176 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000846220831 588261120 /nfs/dbraw/zinc/26/11/20/588261120.db2.gz VOSOTKISONQKFU-BFHYXJOUSA-N 3 1 239.407 1.565 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCCCC[NH3+] ZINC000846220604 588261252 /nfs/dbraw/zinc/26/12/52/588261252.db2.gz RLARHIFASYOUIX-VXGBXAGGSA-N 2 1 213.369 1.175 20 0 BDADMP [NH3+]CCCCCCN1CCC2(CC[NH2+]2)CC1 ZINC000846223482 588261591 /nfs/dbraw/zinc/26/15/91/588261591.db2.gz LOAFZUWNWYGPMM-UHFFFAOYSA-N 2 1 225.380 1.333 20 0 BDADMP C[C@@H](C[NH2+]Cc1cnc(Cl)n1C)C[NH+](C)C ZINC000848554017 588396258 /nfs/dbraw/zinc/39/62/58/588396258.db2.gz TYJBTBGFATUXOY-VIFPVBQESA-N 2 1 244.770 1.361 20 0 BDADMP Cc1noc([C@@H](C)[N@H+](C)CCCCCC[NH3+])n1 ZINC000848599804 588401305 /nfs/dbraw/zinc/40/13/05/588401305.db2.gz DTGQOKPZRPXSGI-SNVBAGLBSA-N 2 1 240.351 1.890 20 0 BDADMP Cc1noc([C@@H](C)[N@@H+](C)CCCCCC[NH3+])n1 ZINC000848599804 588401306 /nfs/dbraw/zinc/40/13/06/588401306.db2.gz DTGQOKPZRPXSGI-SNVBAGLBSA-N 2 1 240.351 1.890 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000848987496 588426090 /nfs/dbraw/zinc/42/60/90/588426090.db2.gz BHJNRVFAQDPHFV-NEPJUHHUSA-N 2 1 240.395 1.631 20 0 BDADMP CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000848987175 588426146 /nfs/dbraw/zinc/42/61/46/588426146.db2.gz LIVFUOJJZPJNQD-MNOVXSKESA-N 2 1 226.368 1.241 20 0 BDADMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CCC1 ZINC000848992626 588427793 /nfs/dbraw/zinc/42/77/93/588427793.db2.gz NSJQVHYHUCPUDE-JTQLQIEISA-N 2 1 236.363 1.137 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996497 588429072 /nfs/dbraw/zinc/42/90/72/588429072.db2.gz ZDMDDJDFTLSFEP-VXGBXAGGSA-N 2 1 240.395 1.629 20 0 BDADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000848996416 588429115 /nfs/dbraw/zinc/42/91/15/588429115.db2.gz RVVRBQFEIJECEF-LLVKDONJSA-N 2 1 238.379 1.335 20 0 BDADMP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[NH+](C)C ZINC000848996597 588429249 /nfs/dbraw/zinc/42/92/49/588429249.db2.gz JDCZZLZXODNSNV-NSHDSACASA-N 2 1 240.395 1.773 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000849001605 588430940 /nfs/dbraw/zinc/43/09/40/588430940.db2.gz HRIJNOJJMROISW-ZJUUUORDSA-N 2 1 226.368 1.382 20 0 BDADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])NCC2CCC2)C1 ZINC000849004216 588431764 /nfs/dbraw/zinc/43/17/64/588431764.db2.gz HXQSAAFKEMYFFB-NSHDSACASA-N 2 1 238.379 1.242 20 0 BDADMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1ccccn1 ZINC000849005868 588432424 /nfs/dbraw/zinc/43/24/24/588432424.db2.gz YWNXTZDTEZJWFX-UHFFFAOYSA-N 2 1 249.362 1.750 20 0 BDADMP C[N@@H+](CCNC(=[NH2+])N1CCC1)C1CCCC1 ZINC000849006318 588432954 /nfs/dbraw/zinc/43/29/54/588432954.db2.gz VYCUCFDFBLDESO-UHFFFAOYSA-N 2 1 224.352 1.091 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000849022983 588439407 /nfs/dbraw/zinc/43/94/07/588439407.db2.gz BMJHPHORIAZCBY-LBPRGKRZSA-N 2 1 238.379 1.526 20 0 BDADMP CCCCNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039038 588446884 /nfs/dbraw/zinc/44/68/84/588446884.db2.gz FABGPJUFEWACJR-UHFFFAOYSA-N 2 1 240.395 1.775 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041074 588447877 /nfs/dbraw/zinc/44/78/77/588447877.db2.gz JLIWJDWEVOYIQO-VXGBXAGGSA-N 2 1 240.395 1.631 20 0 BDADMP C[C@H]1CCCN(C(=[NH2+])NCC2([NH+](C)C)CC2)C1 ZINC000849043530 588448767 /nfs/dbraw/zinc/44/87/67/588448767.db2.gz OJXISNMSXWEXAL-NSHDSACASA-N 2 1 238.379 1.337 20 0 BDADMP Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000849350022 588474847 /nfs/dbraw/zinc/47/48/47/588474847.db2.gz NIJDCFSEJHMQCV-UHFFFAOYSA-N 2 1 219.332 1.751 20 0 BDADMP Cc1[nH+]cc(CNCc2cccnc2F)n1C ZINC000850281625 588534615 /nfs/dbraw/zinc/53/46/15/588534615.db2.gz LROJRUORBCTNMF-UHFFFAOYSA-N 2 1 234.278 1.552 20 0 BDADMP CCN(CC)[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000110370696 588658770 /nfs/dbraw/zinc/65/87/70/588658770.db2.gz IILSHCUYLADQJC-AWEZNQCLSA-N 2 1 241.423 1.922 20 0 BDADMP CCN(CC)[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000110370696 588658771 /nfs/dbraw/zinc/65/87/71/588658771.db2.gz IILSHCUYLADQJC-AWEZNQCLSA-N 2 1 241.423 1.922 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C1CCC1 ZINC000852743874 588697840 /nfs/dbraw/zinc/69/78/40/588697840.db2.gz MRJRCHCWRVDIOA-DGCLKSJQSA-N 2 1 226.364 1.472 20 0 BDADMP C[N@@H+](CCOC(F)F)CC(C)(C)C[NH3+] ZINC000852740630 588698722 /nfs/dbraw/zinc/69/87/22/588698722.db2.gz GVAPLJRZTWCLHK-UHFFFAOYSA-N 2 1 210.268 1.142 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOC(F)F)C[C@@H]21 ZINC000852746630 588698972 /nfs/dbraw/zinc/69/89/72/588698972.db2.gz MUWRXALALMMDTH-KXUCPTDWSA-N 2 1 234.290 1.285 20 0 BDADMP CC1([NH3+])CC[NH+](CCOC(F)F)CC1 ZINC000852748415 588699506 /nfs/dbraw/zinc/69/95/06/588699506.db2.gz VBYMUQNRSGMDKM-UHFFFAOYSA-N 2 1 208.252 1.039 20 0 BDADMP C[C@@H]1CC[N@@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000852750916 588700001 /nfs/dbraw/zinc/70/00/01/588700001.db2.gz JAZPRVRTOJIODW-RKDXNWHRSA-N 2 1 222.279 1.142 20 0 BDADMP C([C@H]1CNCCO1)[N@H+]1CCCC2(CCCC2)C1 ZINC000852750037 588700161 /nfs/dbraw/zinc/70/01/61/588700161.db2.gz LYEHFYWHSSJHTA-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP O=C(OCC[NH+]1CCC1)c1ccc2c[nH+]cn2c1 ZINC000861391622 589164753 /nfs/dbraw/zinc/16/47/53/589164753.db2.gz HCWQGYLSYJHADQ-UHFFFAOYSA-N 2 1 245.282 1.197 20 0 BDADMP CC(C)[C@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000863545886 589297698 /nfs/dbraw/zinc/29/76/98/589297698.db2.gz ARKIMTZARHBDJW-CYBMUJFWSA-N 2 1 227.396 1.435 20 0 BDADMP CC(C)[C@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC000863545886 589297699 /nfs/dbraw/zinc/29/76/99/589297699.db2.gz ARKIMTZARHBDJW-CYBMUJFWSA-N 2 1 227.396 1.435 20 0 BDADMP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C[NH2+]1 ZINC000863546557 589297973 /nfs/dbraw/zinc/29/79/73/589297973.db2.gz KXKKPTNEXGBQGB-ZNSHCXBVSA-N 2 1 244.429 1.318 20 0 BDADMP COC[C@@]1(C)C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000863575143 589301429 /nfs/dbraw/zinc/30/14/29/589301429.db2.gz FEPJUQUYXUSIQN-CYBMUJFWSA-N 2 1 244.379 1.243 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000863642094 589305982 /nfs/dbraw/zinc/30/59/82/589305982.db2.gz PYPKAKDXAYDHAP-NSHDSACASA-N 2 1 210.321 1.004 20 0 BDADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000864450829 589364766 /nfs/dbraw/zinc/36/47/66/589364766.db2.gz CRTHIJQLJQHGGJ-IJLUTSLNSA-N 2 1 238.379 1.241 20 0 BDADMP CCC(CC)NC(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000864457198 589367636 /nfs/dbraw/zinc/36/76/36/589367636.db2.gz QMOMEPUMRCMOME-UHFFFAOYSA-N 2 1 240.395 1.773 20 0 BDADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000864465771 589370897 /nfs/dbraw/zinc/37/08/97/589370897.db2.gz COJBIPKKKKRKJT-GRYCIOLGSA-N 2 1 238.379 1.241 20 0 BDADMP CC(C)(O)C[N@@H+]1CC[C@H](NCc2ccccc2)C1 ZINC000865658544 589454800 /nfs/dbraw/zinc/45/48/00/589454800.db2.gz RRCCDBVRRPLSQD-AWEZNQCLSA-N 2 1 248.370 1.621 20 0 BDADMP CC(C)(O)C[N@H+]1CC[C@H](NCc2ccccc2)C1 ZINC000865658544 589454801 /nfs/dbraw/zinc/45/48/01/589454801.db2.gz RRCCDBVRRPLSQD-AWEZNQCLSA-N 2 1 248.370 1.621 20 0 BDADMP Cc1c[nH+]ccc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866208552 589480364 /nfs/dbraw/zinc/48/03/64/589480364.db2.gz NQYLPEIVXVZUOX-TZMCWYRMSA-N 2 1 231.343 1.920 20 0 BDADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c(CO)c3)CC[C@@H]21 ZINC000866208965 589480598 /nfs/dbraw/zinc/48/05/98/589480598.db2.gz MCFQAXQLYLPDSV-FZMZJTMJSA-N 2 1 247.342 1.104 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000866658934 589508217 /nfs/dbraw/zinc/50/82/17/589508217.db2.gz DXWDRHARSHSRDC-UHFFFAOYSA-N 2 1 249.358 1.983 20 0 BDADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000866665091 589509768 /nfs/dbraw/zinc/50/97/68/589509768.db2.gz SPAMCXRPFUWDTO-MELADBBJSA-N 2 1 238.375 1.487 20 0 BDADMP CC1(C)CCNCC[N@H+]1CCCCCCC[NH3+] ZINC000866698941 589513093 /nfs/dbraw/zinc/51/30/93/589513093.db2.gz GHDDRCDOWIBMOM-UHFFFAOYSA-N 2 1 241.423 1.970 20 0 BDADMP CC1(C)CC[NH2+]CCN1CCCCCCC[NH3+] ZINC000866698941 589513094 /nfs/dbraw/zinc/51/30/94/589513094.db2.gz GHDDRCDOWIBMOM-UHFFFAOYSA-N 2 1 241.423 1.970 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866704727 589513337 /nfs/dbraw/zinc/51/33/37/589513337.db2.gz XFGPXCBIHMDSDR-TZMCWYRMSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866704727 589513338 /nfs/dbraw/zinc/51/33/38/589513338.db2.gz XFGPXCBIHMDSDR-TZMCWYRMSA-N 3 1 239.407 1.293 20 0 BDADMP [NH3+]CCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704202 589513482 /nfs/dbraw/zinc/51/34/82/589513482.db2.gz RJSDDRIZNCHHFZ-ZJUUUORDSA-N 2 1 200.351 1.020 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866703975 589513762 /nfs/dbraw/zinc/51/37/62/589513762.db2.gz QTFBXOCBCRLYOE-VXGBXAGGSA-N 2 1 226.364 1.079 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866703724 589514019 /nfs/dbraw/zinc/51/40/19/589514019.db2.gz LABWXYJXPTWWAE-QWHCGFSZSA-N 2 1 240.416 1.671 20 0 BDADMP CC1(C)C[C@@H](O)C[N@@H+](CCCCCCC[NH3+])C1 ZINC000866705013 589514113 /nfs/dbraw/zinc/51/41/13/589514113.db2.gz ZGYOIVNMEXWRAE-CYBMUJFWSA-N 2 1 242.407 1.988 20 0 BDADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000866707190 589514850 /nfs/dbraw/zinc/51/48/50/589514850.db2.gz SYZIWFPUEFUQEZ-JSGCOSHPSA-N 2 1 240.391 1.720 20 0 BDADMP Cn1c[nH+]cc1CCCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866724265 589515997 /nfs/dbraw/zinc/51/59/97/589515997.db2.gz MKPAMYANHADQQX-ZIAGYGMSSA-N 2 1 248.374 1.179 20 0 BDADMP CC(=O)Nc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000017310281 589585146 /nfs/dbraw/zinc/58/51/46/589585146.db2.gz TUTOCFWQUQBGSP-UHFFFAOYSA-N 2 1 249.358 1.686 20 0 BDADMP CC[C@@H]1C[N@H+](C/C=C/Cl)CC[C@@H]1[NH3+] ZINC000122699185 589619954 /nfs/dbraw/zinc/61/99/54/589619954.db2.gz MHQHNTDSEGYKGA-AEJJFCSLSA-N 2 1 202.729 1.798 20 0 BDADMP CC[C@@H]1C[N@@H+](C/C=C/Cl)CC[C@@H]1[NH3+] ZINC000122699185 589619956 /nfs/dbraw/zinc/61/99/56/589619956.db2.gz MHQHNTDSEGYKGA-AEJJFCSLSA-N 2 1 202.729 1.798 20 0 BDADMP NC(=[NH+]OCC[NH+]1CCCCC1)C1CCC1 ZINC000871765561 589810752 /nfs/dbraw/zinc/81/07/52/589810752.db2.gz AMODPDNMLCKGRB-UHFFFAOYSA-N 2 1 225.336 1.771 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000872127266 589876930 /nfs/dbraw/zinc/87/69/30/589876930.db2.gz RXUAAMCHMLWNBN-PEDHHIEDSA-N 2 1 238.375 1.220 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@](C)(C[NH3+])C(C)C)C1 ZINC000872141858 589882358 /nfs/dbraw/zinc/88/23/58/589882358.db2.gz WWRLCHHCMPABSE-GRYCIOLGSA-N 2 1 214.353 1.374 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872141458 589882493 /nfs/dbraw/zinc/88/24/93/589882493.db2.gz HAMFNVZPXGDRGP-NSHDSACASA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141798 589882540 /nfs/dbraw/zinc/88/25/40/589882540.db2.gz TYXHQJXPBWBLBX-NWDGAFQWSA-N 2 1 224.348 1.226 20 0 BDADMP C[N@H+](C[C@@H]1CC2(CCC2)CO1)[C@H](C[NH3+])C1CC1 ZINC000872142985 589882987 /nfs/dbraw/zinc/88/29/87/589882987.db2.gz IEDPTSTYWACXIG-QWHCGFSZSA-N 2 1 238.375 1.615 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)[C@H](C[NH3+])C1CC1 ZINC000872142985 589882988 /nfs/dbraw/zinc/88/29/88/589882988.db2.gz IEDPTSTYWACXIG-QWHCGFSZSA-N 2 1 238.375 1.615 20 0 BDADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1 ZINC000872144229 589882990 /nfs/dbraw/zinc/88/29/90/589882990.db2.gz CWCFTZCUNLNQAY-JZRPKSSGSA-N 2 1 226.364 1.388 20 0 BDADMP Cn1nccc1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000872144140 589883173 /nfs/dbraw/zinc/88/31/73/589883173.db2.gz VUBSRRYUYPUFRA-UHFFFAOYSA-N 2 1 248.374 1.038 20 0 BDADMP Cc1conc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872142639 589883634 /nfs/dbraw/zinc/88/36/34/589883634.db2.gz BUGBEBPEJZIGMG-OLZOCXBDSA-N 2 1 249.358 1.805 20 0 BDADMP CC(=O)Nc1ccc2c(c1)C[N@@H+](CCC[NH3+])CC2 ZINC000872153658 589885460 /nfs/dbraw/zinc/88/54/60/589885460.db2.gz GFEXNYGNHAGWKL-UHFFFAOYSA-N 2 1 247.342 1.352 20 0 BDADMP CC(=O)Nc1ccc2c(c1)C[N@H+](CCC[NH3+])CC2 ZINC000872153658 589885463 /nfs/dbraw/zinc/88/54/63/589885463.db2.gz GFEXNYGNHAGWKL-UHFFFAOYSA-N 2 1 247.342 1.352 20 0 BDADMP COCC1([N@@H+](C)C[C@@H]2CC[NH2+]C2)CCC1 ZINC000872157656 589885722 /nfs/dbraw/zinc/88/57/22/589885722.db2.gz PNONJEXPZWMGDG-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254227 589901321 /nfs/dbraw/zinc/90/13/21/589901321.db2.gz WXRYPDFWUCRLOA-OLZOCXBDSA-N 3 1 241.423 1.694 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315480 589909911 /nfs/dbraw/zinc/90/99/11/589909911.db2.gz VPMRQRRTSDDHIK-KGLIPLIRSA-N 2 1 249.358 1.883 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873215922 589997992 /nfs/dbraw/zinc/99/79/92/589997992.db2.gz HKTYCPCLDSBLJP-JZRPKSSGSA-N 2 1 238.375 1.388 20 0 BDADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(N)nc3)CC[C@H]21 ZINC000873222044 590000043 /nfs/dbraw/zinc/00/00/43/590000043.db2.gz XZYPOYGYTXUWGE-CHWSQXEVSA-N 2 1 246.358 1.190 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000873236001 590004223 /nfs/dbraw/zinc/00/42/23/590004223.db2.gz SRVICZSRAKKGPX-GRYCIOLGSA-N 2 1 228.405 1.717 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCC[C@H]21 ZINC000873248483 590006472 /nfs/dbraw/zinc/00/64/72/590006472.db2.gz BJMZCZRMJCKUKG-XHJNMGKDSA-N 3 1 237.391 1.186 20 0 BDADMP CN1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H]2CCC[C@H]21 ZINC000873248483 590006475 /nfs/dbraw/zinc/00/64/75/590006475.db2.gz BJMZCZRMJCKUKG-XHJNMGKDSA-N 2 1 237.391 1.186 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000873254219 590009733 /nfs/dbraw/zinc/00/97/33/590009733.db2.gz NUTDJRLHINSUDI-FVCCEPFGSA-N 3 1 225.380 1.044 20 0 BDADMP CCN1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000873254219 590009736 /nfs/dbraw/zinc/00/97/36/590009736.db2.gz NUTDJRLHINSUDI-FVCCEPFGSA-N 2 1 225.380 1.044 20 0 BDADMP COc1ccc(CC[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000019933240 590049449 /nfs/dbraw/zinc/04/94/49/590049449.db2.gz BSZQSCQHAHTSNN-ZDUSSCGKSA-N 2 1 234.343 1.661 20 0 BDADMP COc1ccc(CC[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000019933240 590049452 /nfs/dbraw/zinc/04/94/52/590049452.db2.gz BSZQSCQHAHTSNN-ZDUSSCGKSA-N 2 1 234.343 1.661 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877740196 590407615 /nfs/dbraw/zinc/40/76/15/590407615.db2.gz IZNRYHIWUBCHTL-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740196 590407616 /nfs/dbraw/zinc/40/76/16/590407616.db2.gz IZNRYHIWUBCHTL-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP COCC(C)(C)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740196 590407618 /nfs/dbraw/zinc/40/76/18/590407618.db2.gz IZNRYHIWUBCHTL-OLZOCXBDSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)CC[C@@H]21 ZINC000877743781 590411275 /nfs/dbraw/zinc/41/12/75/590411275.db2.gz YGSSTQGRIFIXCK-RDBSUJKOSA-N 2 1 236.359 1.705 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)CC[C@@H]21 ZINC000877743781 590411277 /nfs/dbraw/zinc/41/12/77/590411277.db2.gz YGSSTQGRIFIXCK-RDBSUJKOSA-N 2 1 236.359 1.705 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)CC[C@@H]21 ZINC000877743781 590411279 /nfs/dbraw/zinc/41/12/79/590411279.db2.gz YGSSTQGRIFIXCK-RDBSUJKOSA-N 2 1 236.359 1.705 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC=CO3)CC[C@@H]21 ZINC000877743777 590411324 /nfs/dbraw/zinc/41/13/24/590411324.db2.gz YGSSTQGRIFIXCK-MCIONIFRSA-N 2 1 236.359 1.705 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC=CO3)CC[C@@H]21 ZINC000877743777 590411325 /nfs/dbraw/zinc/41/13/25/590411325.db2.gz YGSSTQGRIFIXCK-MCIONIFRSA-N 2 1 236.359 1.705 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)CC[C@@H]21 ZINC000877743777 590411327 /nfs/dbraw/zinc/41/13/27/590411327.db2.gz YGSSTQGRIFIXCK-MCIONIFRSA-N 2 1 236.359 1.705 20 0 BDADMP CC(C)[C@H](O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000877959694 590458377 /nfs/dbraw/zinc/45/83/77/590458377.db2.gz RDLQVPFQJRDOGH-CYBMUJFWSA-N 2 1 228.380 1.419 20 0 BDADMP CC(C)[C@@H](O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000878105160 590495135 /nfs/dbraw/zinc/49/51/35/590495135.db2.gz XFEWNDVNBZFSOG-STQMWFEESA-N 2 1 228.380 1.277 20 0 BDADMP CC(C)OCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569026 590807938 /nfs/dbraw/zinc/80/79/38/590807938.db2.gz HQOPORHRGIOLIL-CHWSQXEVSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569026 590807942 /nfs/dbraw/zinc/80/79/42/590807942.db2.gz HQOPORHRGIOLIL-CHWSQXEVSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569026 590807946 /nfs/dbraw/zinc/80/79/46/590807946.db2.gz HQOPORHRGIOLIL-CHWSQXEVSA-N 2 1 226.364 1.437 20 0 BDADMP CC(C)OCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569026 590807948 /nfs/dbraw/zinc/80/79/48/590807948.db2.gz HQOPORHRGIOLIL-CHWSQXEVSA-N 2 1 226.364 1.437 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573992 590812615 /nfs/dbraw/zinc/81/26/15/590812615.db2.gz VJZRZARIKPKRBS-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573992 590812616 /nfs/dbraw/zinc/81/26/16/590812616.db2.gz VJZRZARIKPKRBS-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573992 590812617 /nfs/dbraw/zinc/81/26/17/590812617.db2.gz VJZRZARIKPKRBS-NEPJUHHUSA-N 2 1 226.364 1.173 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCF)CC[C@@H]21 ZINC000879577551 590813196 /nfs/dbraw/zinc/81/31/96/590813196.db2.gz YANASPRHYZRBCW-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCF)CC[C@@H]21 ZINC000879577551 590813201 /nfs/dbraw/zinc/81/32/01/590813201.db2.gz YANASPRHYZRBCW-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC000879577551 590813203 /nfs/dbraw/zinc/81/32/03/590813203.db2.gz YANASPRHYZRBCW-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC000879577551 590813207 /nfs/dbraw/zinc/81/32/07/590813207.db2.gz YANASPRHYZRBCW-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[Si](C)(C)C)CC[C@H]21 ZINC000879573797 590813707 /nfs/dbraw/zinc/81/37/07/590813707.db2.gz RQVHPTOFXJPRHP-VXGBXAGGSA-N 2 1 226.440 1.890 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000879573797 590813710 /nfs/dbraw/zinc/81/37/10/590813710.db2.gz RQVHPTOFXJPRHP-VXGBXAGGSA-N 2 1 226.440 1.890 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000879573797 590813715 /nfs/dbraw/zinc/81/37/15/590813715.db2.gz RQVHPTOFXJPRHP-VXGBXAGGSA-N 2 1 226.440 1.890 20 0 BDADMP C[NH+]1CC[C@H]2CN(C[C@H]3CCC[N@@H+]3C)CC[C@H]21 ZINC000879579052 590818458 /nfs/dbraw/zinc/81/84/58/590818458.db2.gz IXLFVTXVQWMIEF-BFHYXJOUSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579052 590818461 /nfs/dbraw/zinc/81/84/61/590818461.db2.gz IXLFVTXVQWMIEF-BFHYXJOUSA-N 2 1 237.391 1.107 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579052 590818465 /nfs/dbraw/zinc/81/84/65/590818465.db2.gz IXLFVTXVQWMIEF-BFHYXJOUSA-N 2 1 237.391 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880142970 590944670 /nfs/dbraw/zinc/94/46/70/590944670.db2.gz WYABWXQEBJVFQF-MGPQQGTHSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880142970 590944672 /nfs/dbraw/zinc/94/46/72/590944672.db2.gz WYABWXQEBJVFQF-MGPQQGTHSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880142970 590944674 /nfs/dbraw/zinc/94/46/74/590944674.db2.gz WYABWXQEBJVFQF-MGPQQGTHSA-N 2 1 237.391 1.249 20 0 BDADMP CC1([NH+]2CCC2)CC[NH+](CCCF)CC1 ZINC000880473138 591053786 /nfs/dbraw/zinc/05/37/86/591053786.db2.gz QFYDOVMCEGJILW-UHFFFAOYSA-N 2 1 214.328 1.906 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880500436 591076259 /nfs/dbraw/zinc/07/62/59/591076259.db2.gz AMTKCJYKZVCMND-KGLIPLIRSA-N 2 1 249.358 1.654 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000129610962 591339670 /nfs/dbraw/zinc/33/96/70/591339670.db2.gz MMILFXRAWYPNRF-YUELXQCFSA-N 2 1 248.370 1.792 20 0 BDADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]cc1C1CC1 ZINC000882958635 591483811 /nfs/dbraw/zinc/48/38/11/591483811.db2.gz GIGMDBPEVYSDJH-LBPRGKRZSA-N 2 1 231.343 1.887 20 0 BDADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000882959168 591485898 /nfs/dbraw/zinc/48/58/98/591485898.db2.gz XDVDRYQXYFGPJT-LBPRGKRZSA-N 2 1 221.304 1.080 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@H](C)C1 ZINC000883269666 591603725 /nfs/dbraw/zinc/60/37/25/591603725.db2.gz RSMXPCCUVOPGBK-SYQHCUMBSA-N 2 1 240.391 1.731 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCOC1 ZINC000134715307 591947424 /nfs/dbraw/zinc/94/74/24/591947424.db2.gz NWUQQNMUBZEKHW-NSHDSACASA-N 2 1 200.326 1.226 20 0 BDADMP C(=C/C[N@H+]1C[C@@H]2C[C@@H]2C1)\C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886345194 592212744 /nfs/dbraw/zinc/21/27/44/592212744.db2.gz UNBVVPDDALPJSF-DFNZGJFHSA-N 2 1 218.344 1.446 20 0 BDADMP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)COC)CC1 ZINC000886711400 592309314 /nfs/dbraw/zinc/30/93/14/592309314.db2.gz VMDKNTYPOAJAMQ-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCO2)[C@H](C)C1 ZINC000886725866 592311377 /nfs/dbraw/zinc/31/13/77/592311377.db2.gz ZUZOTNRZXKBLBP-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CC[N@H+]1C ZINC000886727307 592312097 /nfs/dbraw/zinc/31/20/97/592312097.db2.gz SCBWFNQMDBHHAJ-RWMBFGLXSA-N 2 1 226.364 1.628 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819856 592344112 /nfs/dbraw/zinc/34/41/12/592344112.db2.gz YCGMYLVXWLMQRV-ZIAGYGMSSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819856 592344117 /nfs/dbraw/zinc/34/41/17/592344117.db2.gz YCGMYLVXWLMQRV-ZIAGYGMSSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819853 592345788 /nfs/dbraw/zinc/34/57/88/592345788.db2.gz YCGMYLVXWLMQRV-KBPBESRZSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819853 592345793 /nfs/dbraw/zinc/34/57/93/592345793.db2.gz YCGMYLVXWLMQRV-KBPBESRZSA-N 2 1 249.358 1.692 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886832389 592353069 /nfs/dbraw/zinc/35/30/69/592353069.db2.gz HRHFIUUQCLNBDP-QNWHQSFQSA-N 2 1 224.348 1.082 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872176 592376559 /nfs/dbraw/zinc/37/65/59/592376559.db2.gz LNPQUSKKUGENHT-CYBMUJFWSA-N 3 1 225.380 1.062 20 0 BDADMP C[NH2+]CCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872176 592376561 /nfs/dbraw/zinc/37/65/61/592376561.db2.gz LNPQUSKKUGENHT-CYBMUJFWSA-N 3 1 225.380 1.062 20 0 BDADMP C[C@H](CO)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134992 592449446 /nfs/dbraw/zinc/44/94/46/592449446.db2.gz UCHRZVNFXKEILA-QWHCGFSZSA-N 2 1 249.358 1.221 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134991 592449453 /nfs/dbraw/zinc/44/94/53/592449453.db2.gz UCHRZVNFXKEILA-OLZOCXBDSA-N 2 1 249.358 1.221 20 0 BDADMP CO[C@@H](C)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134462 592449474 /nfs/dbraw/zinc/44/94/74/592449474.db2.gz KAXHYOGAJARLKV-STQMWFEESA-N 2 1 249.358 1.627 20 0 BDADMP C[N@@H+](CCCF)CC[C@@H]1CCC[NH+]1C ZINC000887141341 592457465 /nfs/dbraw/zinc/45/74/65/592457465.db2.gz OZPNHCIBJPAVMV-NSHDSACASA-N 2 1 202.317 1.762 20 0 BDADMP C[NH+](CCCF)CC[C@@H]1CCC[N@@H+]1C ZINC000887141341 592457466 /nfs/dbraw/zinc/45/74/66/592457466.db2.gz OZPNHCIBJPAVMV-NSHDSACASA-N 2 1 202.317 1.762 20 0 BDADMP C[NH+](CCCF)CC[C@@H]1CCC[N@H+]1C ZINC000887141341 592457467 /nfs/dbraw/zinc/45/74/67/592457467.db2.gz OZPNHCIBJPAVMV-NSHDSACASA-N 2 1 202.317 1.762 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccco2)CC[N@@H+]1C ZINC000221897149 592462241 /nfs/dbraw/zinc/46/22/41/592462241.db2.gz IEEGFGISUBDMLM-IJLUTSLNSA-N 2 1 238.331 1.385 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccco2)CC[N@H+]1C ZINC000221897149 592462242 /nfs/dbraw/zinc/46/22/42/592462242.db2.gz IEEGFGISUBDMLM-IJLUTSLNSA-N 2 1 238.331 1.385 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])NCC1CC1 ZINC000887363200 592491694 /nfs/dbraw/zinc/49/16/94/592491694.db2.gz OPUMXXBQPLGUDW-UHFFFAOYSA-N 2 1 240.395 1.488 20 0 BDADMP [NH3+]C[C@H]1CC[N@H+](CCSC(F)(F)F)C1 ZINC000123612320 592714583 /nfs/dbraw/zinc/71/45/83/592714583.db2.gz MZZUFFLDNPXESL-SSDOTTSWSA-N 2 1 228.283 1.520 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](CCSC(F)(F)F)C1 ZINC000123612320 592714587 /nfs/dbraw/zinc/71/45/87/592714587.db2.gz MZZUFFLDNPXESL-SSDOTTSWSA-N 2 1 228.283 1.520 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1NCCC1CC[NH2+]CC1 ZINC000925702350 634378013 /nfs/dbraw/zinc/37/80/13/634378013.db2.gz OBQGQEWHOYKDAX-LBPRGKRZSA-N 2 1 225.380 1.106 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@@H](O)C(C)C ZINC001578662037 985269027 /nfs/dbraw/zinc/26/90/27/985269027.db2.gz ASFVGXHPJWISLQ-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H](O)C(C)C ZINC001578662037 985269054 /nfs/dbraw/zinc/26/90/54/985269054.db2.gz ASFVGXHPJWISLQ-VXGBXAGGSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H](CO)[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC001579476862 985986232 /nfs/dbraw/zinc/98/62/32/985986232.db2.gz KUFUJTFHXQSUFY-GHMZBOCLSA-N 2 1 216.369 1.453 20 0 BDADMP C[C@H](CO)[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC001579476862 985986248 /nfs/dbraw/zinc/98/62/48/985986248.db2.gz KUFUJTFHXQSUFY-GHMZBOCLSA-N 2 1 216.369 1.453 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246023973 987318479 /nfs/dbraw/zinc/31/84/79/987318479.db2.gz TUOLEYNNCUDOMO-VXGBXAGGSA-N 2 1 214.353 1.208 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000925704918 634385768 /nfs/dbraw/zinc/38/57/68/634385768.db2.gz IJTWOSULIQQXOO-UMSGYPCISA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000925705093 634387009 /nfs/dbraw/zinc/38/70/09/634387009.db2.gz HSNVMROVTDAQES-JURCDPSOSA-N 3 1 247.386 1.792 20 0 BDADMP C[C@H]([NH3+])[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000925705093 634387013 /nfs/dbraw/zinc/38/70/13/634387013.db2.gz HSNVMROVTDAQES-JURCDPSOSA-N 2 1 247.386 1.792 20 0 BDADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925707300 634393299 /nfs/dbraw/zinc/39/32/99/634393299.db2.gz OZMXXGYNYXGRFR-IMRBUKKESA-N 2 1 238.375 1.509 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccnc3)C[C@@H]2C1 ZINC000931437338 634454613 /nfs/dbraw/zinc/45/46/13/634454613.db2.gz JUYFUQZDBGLWEK-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccnc3)C[C@@H]2C1 ZINC000931437338 634454616 /nfs/dbraw/zinc/45/46/16/634454616.db2.gz JUYFUQZDBGLWEK-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccnc3)C[C@@H]2C1 ZINC000931437338 634454620 /nfs/dbraw/zinc/45/46/20/634454620.db2.gz JUYFUQZDBGLWEK-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000313607589 634498355 /nfs/dbraw/zinc/49/83/55/634498355.db2.gz GVYHZQPEDCRLTQ-SOUVJXGZSA-N 2 1 246.354 1.404 20 0 BDADMP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000313607589 634498356 /nfs/dbraw/zinc/49/83/56/634498356.db2.gz GVYHZQPEDCRLTQ-SOUVJXGZSA-N 2 1 246.354 1.404 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000423445151 634604323 /nfs/dbraw/zinc/60/43/23/634604323.db2.gz XNYWGVQHWJXOJZ-PWSUYJOCSA-N 2 1 236.363 1.894 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000925775070 635240727 /nfs/dbraw/zinc/24/07/27/635240727.db2.gz ZWFRGLBXGHTYLS-UPJWGTAASA-N 2 1 238.375 1.676 20 0 BDADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838735 635501885 /nfs/dbraw/zinc/50/18/85/635501885.db2.gz CQELYXAWPKEDFW-JSPOSNOBSA-N 3 1 249.402 1.391 20 0 BDADMP COC[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000925873960 635596269 /nfs/dbraw/zinc/59/62/69/635596269.db2.gz OKYBTVZFEWIZFO-FRRDWIJNSA-N 2 1 228.380 1.493 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933374055 631338447 /nfs/dbraw/zinc/33/84/47/631338447.db2.gz WCLRVJWVXLXGDX-ZDUSSCGKSA-N 2 1 249.358 1.654 20 0 BDADMP CC1CC(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933731856 631492606 /nfs/dbraw/zinc/49/26/06/631492606.db2.gz CBQNWPRREPECJA-CLRIEMFWSA-N 2 1 222.376 1.916 20 0 BDADMP CC1CC(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000933731856 631492609 /nfs/dbraw/zinc/49/26/09/631492609.db2.gz CBQNWPRREPECJA-CLRIEMFWSA-N 2 1 222.376 1.916 20 0 BDADMP CC1CC(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000933731856 631492613 /nfs/dbraw/zinc/49/26/13/631492613.db2.gz CBQNWPRREPECJA-CLRIEMFWSA-N 2 1 222.376 1.916 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3cccnc3)C[C@]2(C)C1 ZINC000933734151 631495889 /nfs/dbraw/zinc/49/58/89/631495889.db2.gz PEYSQNAKUNXZJB-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCc3cccnc3)C[C@]2(C)C1 ZINC000933734151 631495894 /nfs/dbraw/zinc/49/58/94/631495894.db2.gz PEYSQNAKUNXZJB-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCc3cccnc3)C[C@]2(C)C1 ZINC000933734151 631495895 /nfs/dbraw/zinc/49/58/95/631495895.db2.gz PEYSQNAKUNXZJB-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3cccnc3)C[C@]2(C)C1 ZINC000933734151 631495898 /nfs/dbraw/zinc/49/58/98/631495898.db2.gz PEYSQNAKUNXZJB-CABCVRRESA-N 2 1 245.370 1.508 20 0 BDADMP Cc1noc(C)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091844835 631544221 /nfs/dbraw/zinc/54/42/21/631544221.db2.gz CMQLSMXUEXTGPC-UHFFFAOYSA-N 2 1 237.347 1.993 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCOC12CCCC2 ZINC000934380827 631814361 /nfs/dbraw/zinc/81/43/61/631814361.db2.gz FKUDMCNPXCLXTR-ZDUSSCGKSA-N 2 1 249.358 1.654 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)CO ZINC000926415852 631924172 /nfs/dbraw/zinc/92/41/72/631924172.db2.gz CTMUWANVNGLOAH-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)CO ZINC000926415852 631924174 /nfs/dbraw/zinc/92/41/74/631924174.db2.gz CTMUWANVNGLOAH-OLZOCXBDSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCOCC2)CC[NH2+]1 ZINC000235367883 632028038 /nfs/dbraw/zinc/02/80/38/632028038.db2.gz LABWZZZYTRIHGJ-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCCN2C)CC[NH2+]1 ZINC000235365260 632028177 /nfs/dbraw/zinc/02/81/77/632028177.db2.gz IAVZSUDDKMXQJI-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000091996065 632776158 /nfs/dbraw/zinc/77/61/58/632776158.db2.gz MCOGEGLCRCBZBR-LLVKDONJSA-N 2 1 235.331 1.266 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)C1CC1 ZINC000162562392 633031359 /nfs/dbraw/zinc/03/13/59/633031359.db2.gz DKFFJNFBVDZLFS-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP CCC(O)(CC)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000165490723 633091348 /nfs/dbraw/zinc/09/13/48/633091348.db2.gz BNGLTLQQCHMYLT-UHFFFAOYSA-N 2 1 242.407 1.811 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(C[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000167560903 633131118 /nfs/dbraw/zinc/13/11/18/633131118.db2.gz CBTMESAILZACTP-IHRRRGAJSA-N 2 1 237.391 1.155 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328546027 633772791 /nfs/dbraw/zinc/77/27/91/633772791.db2.gz NHNBUTJCHWHBFB-UJOWSUJOSA-N 2 1 249.402 1.057 20 0 BDADMP CO[C@H](C[NH2+]C1CCN(C)CC1)C(F)(F)F ZINC000309937002 633966350 /nfs/dbraw/zinc/96/63/50/633966350.db2.gz AJWYLQVFWPMJOF-SECBINFHSA-N 2 1 240.269 1.248 20 0 BDADMP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925543786 633970209 /nfs/dbraw/zinc/97/02/09/633970209.db2.gz WITHTPYESNLXDA-GXTWGEPZSA-N 2 1 245.370 1.887 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982584 634026526 /nfs/dbraw/zinc/02/65/26/634026526.db2.gz IPFTVAJCJOMAAR-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925560997 634038758 /nfs/dbraw/zinc/03/87/58/634038758.db2.gz YKBXFAZLBUGSIB-CYBMUJFWSA-N 2 1 237.391 1.345 20 0 BDADMP C1CCC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1CCSC1 ZINC000925574958 634073630 /nfs/dbraw/zinc/07/36/30/634073630.db2.gz XDECCWMMYGGYRS-GHMZBOCLSA-N 2 1 226.389 1.756 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925613443 634151610 /nfs/dbraw/zinc/15/16/10/634151610.db2.gz RBVSTKSDFLMGSQ-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1[C@H]([NH+](C)C)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000931037437 634188705 /nfs/dbraw/zinc/18/87/05/634188705.db2.gz DIAWRZZVOHFLLD-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000925676485 634265295 /nfs/dbraw/zinc/26/52/95/634265295.db2.gz MQERRNAVSQKQCI-BFHYXJOUSA-N 2 1 241.423 1.837 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1=CCOCC1 ZINC000925681351 634281341 /nfs/dbraw/zinc/28/13/41/634281341.db2.gz XJAXNNISBBSGAK-LLVKDONJSA-N 2 1 210.321 1.063 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925681945 634284764 /nfs/dbraw/zinc/28/47/64/634284764.db2.gz ZFIOFQNJQQPWON-MNOVXSKESA-N 2 1 214.353 1.532 20 0 BDADMP CCC[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925681946 634285240 /nfs/dbraw/zinc/28/52/40/634285240.db2.gz ZFIOFQNJQQPWON-QWRGUYRKSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@H]([NH3+])[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695352 634344757 /nfs/dbraw/zinc/34/47/57/634344757.db2.gz WAALFEVUCDRMHD-YDHLFZDLSA-N 2 1 247.386 1.664 20 0 BDADMP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925695352 634344769 /nfs/dbraw/zinc/34/47/69/634344769.db2.gz WAALFEVUCDRMHD-YDHLFZDLSA-N 3 1 247.386 1.664 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925695723 634349012 /nfs/dbraw/zinc/34/90/12/634349012.db2.gz WFJFKOVHDYMBSL-RWMBFGLXSA-N 2 1 226.364 1.391 20 0 BDADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000094079588 635179540 /nfs/dbraw/zinc/17/95/40/635179540.db2.gz IDHKQPPDNXBEFW-CABCVRRESA-N 2 1 245.370 1.212 20 0 BDADMP C[C@H]1C[C@@H](NCc2cc(N)cc[nH+]2)C[N@H+]1C1CC1 ZINC000925771495 635208808 /nfs/dbraw/zinc/20/88/08/635208808.db2.gz MHQIZXUPNHNXNJ-GXFFZTMASA-N 2 1 246.358 1.379 20 0 BDADMP Cn1cnc2cc(C[NH2+]CC3([NH3+])CC3)ccc21 ZINC000259123101 635245520 /nfs/dbraw/zinc/24/55/20/635245520.db2.gz QDXRUWHZLMMAAD-UHFFFAOYSA-N 2 1 230.315 1.154 20 0 BDADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925780164 635271296 /nfs/dbraw/zinc/27/12/96/635271296.db2.gz PCLYISGLXFKRQO-NQBHXWOUSA-N 2 1 249.358 1.219 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=[NH2+])NC1CCCCC1 ZINC000054108811 635388604 /nfs/dbraw/zinc/38/86/04/635388604.db2.gz OEZCINIYZQEZIN-UHFFFAOYSA-N 2 1 240.395 1.773 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCCO)C[C@@H]2C1 ZINC000310510045 636248496 /nfs/dbraw/zinc/24/84/96/636248496.db2.gz LKPHZMJNXHPCSY-KGLIPLIRSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCCO)C[C@@H]2C1 ZINC000310510045 636248504 /nfs/dbraw/zinc/24/85/04/636248504.db2.gz LKPHZMJNXHPCSY-KGLIPLIRSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCCO)C[C@@H]2C1 ZINC000310510045 636248511 /nfs/dbraw/zinc/24/85/11/636248511.db2.gz LKPHZMJNXHPCSY-KGLIPLIRSA-N 2 1 240.391 1.423 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000226422541 636416833 /nfs/dbraw/zinc/41/68/33/636416833.db2.gz LKLUOWMHUZADJF-WCQYABFASA-N 2 1 236.363 1.022 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000221300566 636726052 /nfs/dbraw/zinc/72/60/52/636726052.db2.gz OGJOUGXMSHNTGO-GXTWGEPZSA-N 2 1 234.343 1.261 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CC[N@H+]1C ZINC000252176418 636781424 /nfs/dbraw/zinc/78/14/24/636781424.db2.gz SCBWFNQMDBHHAJ-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621569 636826598 /nfs/dbraw/zinc/82/65/98/636826598.db2.gz IWFDHTCLBVQDKU-MCIONIFRSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621569 636826600 /nfs/dbraw/zinc/82/66/00/636826600.db2.gz IWFDHTCLBVQDKU-MCIONIFRSA-N 2 1 236.359 1.563 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621569 636826603 /nfs/dbraw/zinc/82/66/03/636826603.db2.gz IWFDHTCLBVQDKU-MCIONIFRSA-N 2 1 236.359 1.563 20 0 BDADMP C[N@H+]1CC[C@H]2CN(CCCCCC[NH3+])CC[C@@H]21 ZINC000866703041 636931894 /nfs/dbraw/zinc/93/18/94/636931894.db2.gz FBQJBXSEHSRPOW-KBPBESRZSA-N 2 1 239.407 1.532 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCC[NH3+])CC[C@@H]21 ZINC000866703041 636931899 /nfs/dbraw/zinc/93/18/99/636931899.db2.gz FBQJBXSEHSRPOW-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCC[NH3+])CC[C@@H]21 ZINC000866703041 636931901 /nfs/dbraw/zinc/93/19/01/636931901.db2.gz FBQJBXSEHSRPOW-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCC[NH3+])CC[C@@H]21 ZINC000866703041 636931907 /nfs/dbraw/zinc/93/19/07/636931907.db2.gz FBQJBXSEHSRPOW-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCC[NH3+])CC[C@@H]21 ZINC000866703041 636931910 /nfs/dbraw/zinc/93/19/10/636931910.db2.gz FBQJBXSEHSRPOW-KBPBESRZSA-N 3 1 239.407 1.532 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)C[NH+](C)C ZINC000926960819 636972223 /nfs/dbraw/zinc/97/22/23/636972223.db2.gz NNAVWDGLXFLQEM-JHJVBQTASA-N 2 1 244.379 1.110 20 0 BDADMP CCO[C@H](C[NH2+][C@H](CC)[C@H]1C[C@@H]1C)C[NH+](C)C ZINC000926961603 636973885 /nfs/dbraw/zinc/97/38/85/636973885.db2.gz PMLUCIREIHWPCI-RFQIPJPRSA-N 2 1 242.407 1.977 20 0 BDADMP CCC[C@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926966538 636978506 /nfs/dbraw/zinc/97/85/06/636978506.db2.gz XJGDBBDRAWLECC-RYUDHWBXSA-N 2 1 216.369 1.731 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924704275 637011883 /nfs/dbraw/zinc/01/18/83/637011883.db2.gz CLUPMFQMOFNFNM-NWDGAFQWSA-N 2 1 234.347 1.469 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924704275 637011888 /nfs/dbraw/zinc/01/18/88/637011888.db2.gz CLUPMFQMOFNFNM-NWDGAFQWSA-N 2 1 234.347 1.469 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924706591 637015793 /nfs/dbraw/zinc/01/57/93/637015793.db2.gz QEDGGYVBSQOTEG-VXGBXAGGSA-N 2 1 228.380 1.325 20 0 BDADMP C[C@H](C[NH2+][C@H](C)c1ccnnc1)C[NH+]1CCCC1 ZINC000924713371 637023149 /nfs/dbraw/zinc/02/31/49/637023149.db2.gz DFZXLCBSAWNQPC-CHWSQXEVSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@@H](C[NH2+][C@@H](C)c1ccnnc1)C[NH+]1CCCC1 ZINC000924713402 637023571 /nfs/dbraw/zinc/02/35/71/637023571.db2.gz DFZXLCBSAWNQPC-STQMWFEESA-N 2 1 248.374 1.859 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CCO ZINC000903463435 637364862 /nfs/dbraw/zinc/36/48/62/637364862.db2.gz AZGHXYCAXUSNMU-CRWXNKLISA-N 2 1 240.391 1.597 20 0 BDADMP Cc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000903463866 637365123 /nfs/dbraw/zinc/36/51/23/637365123.db2.gz QHBHXXUVFQGQGM-IEBDPFPHSA-N 2 1 238.335 1.498 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903725091 637378445 /nfs/dbraw/zinc/37/84/45/637378445.db2.gz WKMDSPNGTQAONI-AWEZNQCLSA-N 2 1 242.407 1.861 20 0 BDADMP CC1(C)CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727090 637379707 /nfs/dbraw/zinc/37/97/07/637379707.db2.gz QCSWEWKDZCRVBF-TZMCWYRMSA-N 2 1 238.375 1.629 20 0 BDADMP C[N@@H+](CC1CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723019 637379806 /nfs/dbraw/zinc/37/98/06/637379806.db2.gz RYSHRWGNUOZHNC-OLZOCXBDSA-N 2 1 224.348 1.097 20 0 BDADMP OC[C@H]1CCCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903788225 637382710 /nfs/dbraw/zinc/38/27/10/637382710.db2.gz GKRVETWAQGIKFM-UONOGXRCSA-N 2 1 240.391 1.613 20 0 BDADMP C(C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@H]1CCOC1 ZINC000904430648 637400542 /nfs/dbraw/zinc/40/05/42/637400542.db2.gz RXZZUMVZSZRWOY-UONOGXRCSA-N 2 1 238.375 1.631 20 0 BDADMP C(C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)[C@H]1CCOC1 ZINC000904430648 637400545 /nfs/dbraw/zinc/40/05/45/637400545.db2.gz RXZZUMVZSZRWOY-UONOGXRCSA-N 2 1 238.375 1.631 20 0 BDADMP CC(C)OC(=O)C(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000904472068 637425333 /nfs/dbraw/zinc/42/53/33/637425333.db2.gz GKQPZOZPWQQZSX-UHFFFAOYSA-N 2 1 242.363 1.306 20 0 BDADMP [NH3+][C@H](Cc1nc(C2([NH3+])CC2)no1)c1ccccc1 ZINC000905314371 637741522 /nfs/dbraw/zinc/74/15/22/637741522.db2.gz HSKHSKLIAWMBBQ-SNVBAGLBSA-N 2 1 244.298 1.260 20 0 BDADMP CC(C)[C@@H](c1nc(C2([NH3+])CC2)no1)[C@@H](C)[NH3+] ZINC000905326472 637757740 /nfs/dbraw/zinc/75/77/40/637757740.db2.gz DMVBMDHSSDHVLO-HTQZYQBOSA-N 2 1 224.308 1.104 20 0 BDADMP [NH3+][C@H](CC1CC1)c1nc(C2([NH3+])CCCC2)no1 ZINC000905306010 637763555 /nfs/dbraw/zinc/76/35/55/637763555.db2.gz QLRLKTOJILMRLM-SECBINFHSA-N 2 1 236.319 1.598 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1c1nc(C2([NH3+])CC2)no1 ZINC000905332501 637780354 /nfs/dbraw/zinc/78/03/54/637780354.db2.gz WHSPLUMJOSEUGR-DTWKUNHWSA-N 2 1 236.319 1.392 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@H]21)C1CC1 ZINC000905667952 637877655 /nfs/dbraw/zinc/87/76/55/637877655.db2.gz SNJUCPZBWSMEJJ-FMKGYKFTSA-N 2 1 238.375 1.220 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@H]21)C1CC1 ZINC000905667952 637877657 /nfs/dbraw/zinc/87/76/57/637877657.db2.gz SNJUCPZBWSMEJJ-FMKGYKFTSA-N 2 1 238.375 1.220 20 0 BDADMP COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1OC ZINC000906507795 638179898 /nfs/dbraw/zinc/17/98/98/638179898.db2.gz CKCQIXFEZMGFIR-XYPYZODXSA-N 2 1 236.315 1.283 20 0 BDADMP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(OC)c1 ZINC000906508050 638179979 /nfs/dbraw/zinc/17/99/79/638179979.db2.gz JDMZNWFIBNNDEP-XYPYZODXSA-N 2 1 236.315 1.283 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000906510134 638184144 /nfs/dbraw/zinc/18/41/44/638184144.db2.gz NDOSKXMOEKBQRU-UHFFFAOYSA-N 2 1 211.696 1.314 20 0 BDADMP [NH3+]C1CC([NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000906510767 638184439 /nfs/dbraw/zinc/18/44/39/638184439.db2.gz VYUNRVVXOCQJKC-UHFFFAOYSA-N 2 1 237.372 1.990 20 0 BDADMP COC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C(C)C ZINC000931278329 640128068 /nfs/dbraw/zinc/12/80/68/640128068.db2.gz WHTISWQQSQCDQL-MQYQWHSLSA-N 2 1 240.391 1.397 20 0 BDADMP COC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C(C)C ZINC000931278329 640128074 /nfs/dbraw/zinc/12/80/74/640128074.db2.gz WHTISWQQSQCDQL-MQYQWHSLSA-N 2 1 240.391 1.397 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3C=CCCC3)C[C@H]21 ZINC000931280509 640132845 /nfs/dbraw/zinc/13/28/45/640132845.db2.gz ZKLVVFBNPWFVGF-NDBYEHHHSA-N 2 1 206.333 1.587 20 0 BDADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3C=CCCC3)C[C@H]21 ZINC000931280509 640132851 /nfs/dbraw/zinc/13/28/51/640132851.db2.gz ZKLVVFBNPWFVGF-NDBYEHHHSA-N 2 1 206.333 1.587 20 0 BDADMP CC(C)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931309363 640147714 /nfs/dbraw/zinc/14/77/14/640147714.db2.gz QSHAONOFUHXKMM-CHWSQXEVSA-N 2 1 210.365 1.916 20 0 BDADMP C[N@H+]1C[C@@]2(C)CN(CCOC(F)F)C[C@@]2(C)C1 ZINC000931317924 640154342 /nfs/dbraw/zinc/15/43/42/640154342.db2.gz QSKNFJAGXLGEQD-TXEJJXNPSA-N 2 1 248.317 1.499 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](CCc2cn[nH]c2)CC1 ZINC000931352531 640162828 /nfs/dbraw/zinc/16/28/28/640162828.db2.gz NWHOHZVMYFKENL-UHFFFAOYSA-N 2 1 236.363 1.368 20 0 BDADMP CCOCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436539 640199500 /nfs/dbraw/zinc/19/95/00/640199500.db2.gz SDKUGCYAPWROGX-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CCOCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436539 640199505 /nfs/dbraw/zinc/19/95/05/640199505.db2.gz SDKUGCYAPWROGX-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP CCOCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436539 640199510 /nfs/dbraw/zinc/19/95/10/640199510.db2.gz SDKUGCYAPWROGX-QWHCGFSZSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435551 640202793 /nfs/dbraw/zinc/20/27/93/640202793.db2.gz FZFDSARDYGHUEL-FRRDWIJNSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435551 640202797 /nfs/dbraw/zinc/20/27/97/640202797.db2.gz FZFDSARDYGHUEL-FRRDWIJNSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@H](c1cnccn1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435551 640202804 /nfs/dbraw/zinc/20/28/04/640202804.db2.gz FZFDSARDYGHUEL-FRRDWIJNSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@H](c1cnccn1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435551 640202807 /nfs/dbraw/zinc/20/28/07/640202807.db2.gz FZFDSARDYGHUEL-FRRDWIJNSA-N 2 1 246.358 1.421 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442127 640203047 /nfs/dbraw/zinc/20/30/47/640203047.db2.gz VLCFXRWZLTUUQN-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442127 640203052 /nfs/dbraw/zinc/20/30/52/640203052.db2.gz VLCFXRWZLTUUQN-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP C[C@H]1OCC[C@H]1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442127 640203055 /nfs/dbraw/zinc/20/30/55/640203055.db2.gz VLCFXRWZLTUUQN-ZOBORPQBSA-N 2 1 238.375 1.295 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CC3=CCCC3)C[C@@H]2C1 ZINC000931441499 640205210 /nfs/dbraw/zinc/20/52/10/640205210.db2.gz JUANKSLXNBXHCL-KGLIPLIRSA-N 2 1 220.360 1.980 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CC3=CCCC3)C[C@@H]2C1 ZINC000931441499 640205222 /nfs/dbraw/zinc/20/52/22/640205222.db2.gz JUANKSLXNBXHCL-KGLIPLIRSA-N 2 1 220.360 1.980 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3=CCCC3)C[C@@H]2C1 ZINC000931441499 640205229 /nfs/dbraw/zinc/20/52/29/640205229.db2.gz JUANKSLXNBXHCL-KGLIPLIRSA-N 2 1 220.360 1.980 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440353 640206467 /nfs/dbraw/zinc/20/64/67/640206467.db2.gz WPVPKGKOUCYNEW-HZSPNIEDSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440353 640206473 /nfs/dbraw/zinc/20/64/73/640206473.db2.gz WPVPKGKOUCYNEW-HZSPNIEDSA-N 2 1 220.360 1.979 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440353 640206479 /nfs/dbraw/zinc/20/64/79/640206479.db2.gz WPVPKGKOUCYNEW-HZSPNIEDSA-N 2 1 220.360 1.979 20 0 BDADMP CC(C)OCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440055 640207394 /nfs/dbraw/zinc/20/73/94/640207394.db2.gz STFAFTRMTYLEQY-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)OCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440055 640207396 /nfs/dbraw/zinc/20/73/96/640207396.db2.gz STFAFTRMTYLEQY-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440055 640207390 /nfs/dbraw/zinc/20/73/90/640207390.db2.gz STFAFTRMTYLEQY-UONOGXRCSA-N 2 1 240.391 1.685 20 0 BDADMP Cc1nccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)n1 ZINC000931439755 640208619 /nfs/dbraw/zinc/20/86/19/640208619.db2.gz ZFOULWJIYBPRSB-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1nccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)n1 ZINC000931439755 640208624 /nfs/dbraw/zinc/20/86/24/640208624.db2.gz ZFOULWJIYBPRSB-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1nccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)n1 ZINC000931439755 640208629 /nfs/dbraw/zinc/20/86/29/640208629.db2.gz ZFOULWJIYBPRSB-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1nccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n1 ZINC000931439755 640208633 /nfs/dbraw/zinc/20/86/33/640208633.db2.gz ZFOULWJIYBPRSB-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP Cc1nccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n1 ZINC000931439755 640208638 /nfs/dbraw/zinc/20/86/38/640208638.db2.gz ZFOULWJIYBPRSB-OLZOCXBDSA-N 2 1 246.358 1.169 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517150 640246320 /nfs/dbraw/zinc/24/63/20/640246320.db2.gz TVWFSYIACRTMTG-MNOVXSKESA-N 2 1 247.342 1.447 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517150 640246328 /nfs/dbraw/zinc/24/63/28/640246328.db2.gz TVWFSYIACRTMTG-MNOVXSKESA-N 2 1 247.342 1.447 20 0 BDADMP CC[C@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519460 640248719 /nfs/dbraw/zinc/24/87/19/640248719.db2.gz UIZLKRKNGKFANG-VIFPVBQESA-N 2 1 205.305 1.820 20 0 BDADMP CC[C@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519460 640248724 /nfs/dbraw/zinc/24/87/24/640248724.db2.gz UIZLKRKNGKFANG-VIFPVBQESA-N 2 1 205.305 1.820 20 0 BDADMP c1cn2c([nH+]1)N(CCC[NH+]1CCCCC1)CC2 ZINC000931521404 640252622 /nfs/dbraw/zinc/25/26/22/640252622.db2.gz HKORIUXNZKZRKR-UHFFFAOYSA-N 2 1 234.347 1.579 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(C)[nH+]1 ZINC000931548296 640266055 /nfs/dbraw/zinc/26/60/55/640266055.db2.gz YJABHFDKGPYUKV-TZMCWYRMSA-N 2 1 248.374 1.553 20 0 BDADMP Cc1[nH]c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000931548296 640266062 /nfs/dbraw/zinc/26/60/62/640266062.db2.gz YJABHFDKGPYUKV-TZMCWYRMSA-N 2 1 248.374 1.553 20 0 BDADMP COC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717842 640333898 /nfs/dbraw/zinc/33/38/98/640333898.db2.gz DSIVPFYAHXVCQS-TUAOUCFPSA-N 2 1 212.337 1.190 20 0 BDADMP CO[C@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2CN(C)CC3)C1 ZINC000931719620 640337158 /nfs/dbraw/zinc/33/71/58/640337158.db2.gz WJFUOLYMRPYCEJ-RFGFWPKPSA-N 2 1 238.375 1.722 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+]1CCn2cccc2C1 ZINC000932526061 640567773 /nfs/dbraw/zinc/56/77/73/640567773.db2.gz HVVYSNWASAZLGO-UHFFFAOYSA-N 2 1 244.342 1.670 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+]1CCn2cccc2C1 ZINC000932526061 640567780 /nfs/dbraw/zinc/56/77/80/640567780.db2.gz HVVYSNWASAZLGO-UHFFFAOYSA-N 2 1 244.342 1.670 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000166225343 640622990 /nfs/dbraw/zinc/62/29/90/640622990.db2.gz YKBMRYUAWACJOY-GHMZBOCLSA-N 2 1 224.373 1.960 20 0 BDADMP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167426977 640718417 /nfs/dbraw/zinc/71/84/17/640718417.db2.gz BRQJGTPOIORFOE-QWRGUYRKSA-N 2 1 248.436 1.419 20 0 BDADMP C[C@@H]([NH3+])CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000226317399 640748134 /nfs/dbraw/zinc/74/81/34/640748134.db2.gz XMJICVSSEPZGPS-NEPJUHHUSA-N 2 1 213.369 1.140 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@]2(C)C1 ZINC000933737206 640756171 /nfs/dbraw/zinc/75/61/71/640756171.db2.gz MGZSOZJWYHDLOO-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@]2(C)C1 ZINC000933737206 640756174 /nfs/dbraw/zinc/75/61/74/640756174.db2.gz MGZSOZJWYHDLOO-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@]2(C)C1 ZINC000933737206 640756176 /nfs/dbraw/zinc/75/61/76/640756176.db2.gz MGZSOZJWYHDLOO-KGLIPLIRSA-N 2 1 238.375 1.297 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CCCF)C[C@]2(C)C1 ZINC000933740034 640757129 /nfs/dbraw/zinc/75/71/29/640757129.db2.gz NXBMASIDILJOJA-MNOVXSKESA-N 2 1 200.301 1.230 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CCCF)C[C@]2(C)C1 ZINC000933740034 640757134 /nfs/dbraw/zinc/75/71/34/640757134.db2.gz NXBMASIDILJOJA-MNOVXSKESA-N 2 1 200.301 1.230 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CCCF)C[C@]2(C)C1 ZINC000933740034 640757139 /nfs/dbraw/zinc/75/71/39/640757139.db2.gz NXBMASIDILJOJA-MNOVXSKESA-N 2 1 200.301 1.230 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734106 640758437 /nfs/dbraw/zinc/75/84/37/640758437.db2.gz LOTAKYIYZDWTOJ-ZDEQEGDKSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734106 640758441 /nfs/dbraw/zinc/75/84/41/640758441.db2.gz LOTAKYIYZDWTOJ-ZDEQEGDKSA-N 2 1 208.349 1.526 20 0 BDADMP C[C@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734106 640758449 /nfs/dbraw/zinc/75/84/49/640758449.db2.gz LOTAKYIYZDWTOJ-ZDEQEGDKSA-N 2 1 208.349 1.526 20 0 BDADMP CCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734195 640758498 /nfs/dbraw/zinc/75/84/98/640758498.db2.gz PYASNVDQBLEHQU-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734195 640758501 /nfs/dbraw/zinc/75/85/01/640758501.db2.gz PYASNVDQBLEHQU-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734195 640758508 /nfs/dbraw/zinc/75/85/08/640758508.db2.gz PYASNVDQBLEHQU-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227767945 640847970 /nfs/dbraw/zinc/84/79/70/640847970.db2.gz RQFPVWYABRARRT-QWHCGFSZSA-N 2 1 228.380 1.720 20 0 BDADMP Cc1cncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000228645255 640888240 /nfs/dbraw/zinc/88/82/40/640888240.db2.gz POLAYCVQDKPPDL-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+]C1(C)CCOCC1 ZINC000229907222 640994726 /nfs/dbraw/zinc/99/47/26/640994726.db2.gz YFLMATAQPURINX-UHFFFAOYSA-N 2 1 214.353 1.533 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC[NH2+]C1 ZINC000063120843 641134882 /nfs/dbraw/zinc/13/48/82/641134882.db2.gz LGBQSCAEOZCYFB-AWEZNQCLSA-N 3 1 239.407 1.260 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934622730 641219285 /nfs/dbraw/zinc/21/92/85/641219285.db2.gz WDGOHHSDMLYQAL-HZSPNIEDSA-N 2 1 240.391 1.632 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148406 641249980 /nfs/dbraw/zinc/24/99/80/641249980.db2.gz JMZAMOFSPQOQHK-KGLIPLIRSA-N 2 1 240.391 1.598 20 0 BDADMP CCN1CCC([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000042689511 641558530 /nfs/dbraw/zinc/55/85/30/641558530.db2.gz UHBXLZNTKIABCT-UHFFFAOYSA-N 2 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000042689511 641558534 /nfs/dbraw/zinc/55/85/34/641558534.db2.gz UHBXLZNTKIABCT-UHFFFAOYSA-N 3 1 239.407 1.402 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000042689511 641558536 /nfs/dbraw/zinc/55/85/36/641558536.db2.gz UHBXLZNTKIABCT-UHFFFAOYSA-N 3 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1C ZINC000157683954 641622989 /nfs/dbraw/zinc/62/29/89/641622989.db2.gz IYZYLKQCYWPRTR-AAVRWANBSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCN1C ZINC000157683954 641622992 /nfs/dbraw/zinc/62/29/92/641622992.db2.gz IYZYLKQCYWPRTR-AAVRWANBSA-N 2 1 239.407 1.576 20 0 BDADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000090079517 641695063 /nfs/dbraw/zinc/69/50/63/641695063.db2.gz FRUWOLCPYSGRER-MJBXVCDLSA-N 2 1 238.375 1.364 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000307931428 642348407 /nfs/dbraw/zinc/34/84/07/642348407.db2.gz CAMIPFAAFRJEMA-VGMNWLOBSA-N 2 1 240.269 1.111 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000307931428 642348411 /nfs/dbraw/zinc/34/84/11/642348411.db2.gz CAMIPFAAFRJEMA-VGMNWLOBSA-N 2 1 240.269 1.111 20 0 BDADMP CCN(c1cc(C)[nH+]c(C)n1)[C@H]1CC[NH2+]C1 ZINC000070901477 642447745 /nfs/dbraw/zinc/44/77/45/642447745.db2.gz CPVLGIFPMFTKBQ-NSHDSACASA-N 2 1 220.320 1.282 20 0 BDADMP C[C@H](c1ccncc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257695556 642509996 /nfs/dbraw/zinc/50/99/96/642509996.db2.gz KCQAURRHXLWITB-VXGBXAGGSA-N 2 1 219.332 1.813 20 0 BDADMP CCC[NH2+]CC[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000233094107 642651406 /nfs/dbraw/zinc/65/14/06/642651406.db2.gz KKKNUAVEIDGQHF-NWDGAFQWSA-N 2 1 228.380 1.779 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420405144 642723103 /nfs/dbraw/zinc/72/31/03/642723103.db2.gz PATIMESGMGNRQM-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420405144 642723111 /nfs/dbraw/zinc/72/31/11/642723111.db2.gz PATIMESGMGNRQM-RYUDHWBXSA-N 2 1 212.337 1.239 20 0 BDADMP CCCC[N@H+]1CCCC[C@H]1CNC(NC)=[NH+]C ZINC000066245829 643165334 /nfs/dbraw/zinc/16/53/34/643165334.db2.gz TYSPCZOHENPYQX-LBPRGKRZSA-N 2 1 240.395 1.436 20 0 BDADMP CN1CC[N@@H+](CCCCCC[NH3+])CC1(C)C ZINC000082485462 643322073 /nfs/dbraw/zinc/32/20/73/643322073.db2.gz ZMAKZPQXXNFUAI-UHFFFAOYSA-N 2 1 227.396 1.532 20 0 BDADMP COC[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000081051442 643492231 /nfs/dbraw/zinc/49/22/31/643492231.db2.gz SBPJLSLOSYTOPE-LLVKDONJSA-N 2 1 212.337 1.097 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000082931362 643528053 /nfs/dbraw/zinc/52/80/53/643528053.db2.gz YNKMNRSUOCNGMY-LLVKDONJSA-N 2 1 205.305 1.252 20 0 BDADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000084216420 643652004 /nfs/dbraw/zinc/65/20/04/643652004.db2.gz QPSGCSLYFZEQBZ-KOLCDFICSA-N 2 1 208.309 1.017 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1nccs1 ZINC000084222439 643653464 /nfs/dbraw/zinc/65/34/64/643653464.db2.gz CGGUOWIUEOAAKT-IVZWLZJFSA-N 2 1 225.361 1.921 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000085014646 643678697 /nfs/dbraw/zinc/67/86/97/643678697.db2.gz NTBNJGMSUQPWMZ-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922819516 644108912 /nfs/dbraw/zinc/10/89/12/644108912.db2.gz XXYNZIAHLGYDSN-OLZOCXBDSA-N 2 1 242.407 2.000 20 0 BDADMP C[N@H+](Cc1cccc(=O)[nH]1)CC1CC[NH2+]CC1 ZINC000923274777 644309817 /nfs/dbraw/zinc/30/98/17/644309817.db2.gz XSVNPOPDFCWBAJ-UHFFFAOYSA-N 2 1 235.331 1.219 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H](O)c1ccc(F)cc1 ZINC000923290346 644323980 /nfs/dbraw/zinc/32/39/80/644323980.db2.gz HWFBUODPMKEGIJ-LBPRGKRZSA-N 2 1 226.295 1.140 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923298412 644338195 /nfs/dbraw/zinc/33/81/95/644338195.db2.gz BSVPJNKUONQCGZ-NEPJUHHUSA-N 2 1 224.348 1.097 20 0 BDADMP CCC(CC)C[N@@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307012 644338431 /nfs/dbraw/zinc/33/84/31/644338431.db2.gz PNJGPOTWXWZYMX-AVGNSLFASA-N 2 1 228.380 1.595 20 0 BDADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC3(C2)CCCCC3)C1 ZINC000923314135 644340823 /nfs/dbraw/zinc/34/08/23/644340823.db2.gz QJPLMYNYYYKUQJ-AVGNSLFASA-N 2 1 238.375 1.493 20 0 BDADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312285 644341281 /nfs/dbraw/zinc/34/12/81/644341281.db2.gz DCGHZNKEAQFFPT-NWDGAFQWSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)CC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303756 644341846 /nfs/dbraw/zinc/34/18/46/644341846.db2.gz KFLBIKMJFTVGCA-GFCCVEGCSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304227 644342184 /nfs/dbraw/zinc/34/21/84/644342184.db2.gz PMRPFURAGVPUGJ-QWHCGFSZSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317571 644345019 /nfs/dbraw/zinc/34/50/19/644345019.db2.gz FJIZZLZORHRRQN-CHWSQXEVSA-N 2 1 238.375 1.343 20 0 BDADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C ZINC000923309760 644346338 /nfs/dbraw/zinc/34/63/38/644346338.db2.gz OEMYANXSWQPRPL-LLVKDONJSA-N 2 1 226.364 1.343 20 0 BDADMP c1cnn(C[C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923322486 644353102 /nfs/dbraw/zinc/35/31/02/644353102.db2.gz LUJWADDRNCYCAU-AWEZNQCLSA-N 2 1 248.374 1.490 20 0 BDADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923335177 644357504 /nfs/dbraw/zinc/35/75/04/644357504.db2.gz LXGFTRMHODGCBD-KGLIPLIRSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@H+](C[C@H](O)Cc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000923355697 644371627 /nfs/dbraw/zinc/37/16/27/644371627.db2.gz AOPFWJKOEMYAAO-CABCVRRESA-N 2 1 248.370 1.259 20 0 BDADMP C[N@@H+](C[C@H](O)Cc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000923355697 644371634 /nfs/dbraw/zinc/37/16/34/644371634.db2.gz AOPFWJKOEMYAAO-CABCVRRESA-N 2 1 248.370 1.259 20 0 BDADMP CCc1onc(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356602 644372876 /nfs/dbraw/zinc/37/28/76/644372876.db2.gz SZDUJFXUAQYPSM-CYBMUJFWSA-N 2 1 237.347 1.716 20 0 BDADMP CCc1onc(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356602 644372880 /nfs/dbraw/zinc/37/28/80/644372880.db2.gz SZDUJFXUAQYPSM-CYBMUJFWSA-N 2 1 237.347 1.716 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356776 644375881 /nfs/dbraw/zinc/37/58/81/644375881.db2.gz ULHGJWLONJUHDK-QWHCGFSZSA-N 2 1 228.380 1.454 20 0 BDADMP Cc1cc(C)cc(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)c1 ZINC000923374754 644390176 /nfs/dbraw/zinc/39/01/76/644390176.db2.gz ZIMJEQZDBAJLLO-KKUMJFAQSA-N 2 1 248.370 1.586 20 0 BDADMP CCC(CC)CCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923394537 644402077 /nfs/dbraw/zinc/40/20/77/644402077.db2.gz CWXFSBVUPBQRKD-IHRRRGAJSA-N 2 1 242.407 1.985 20 0 BDADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923394574 644403165 /nfs/dbraw/zinc/40/31/65/644403165.db2.gz DWQIIJUZTNPPMT-OBRSCCDWSA-N 2 1 224.348 1.100 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000923397681 644404431 /nfs/dbraw/zinc/40/44/31/644404431.db2.gz FGYLWHHVDVMRPX-ZNMIVQPWSA-N 2 1 246.354 1.533 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000923397681 644404435 /nfs/dbraw/zinc/40/44/35/644404435.db2.gz FGYLWHHVDVMRPX-ZNMIVQPWSA-N 2 1 246.354 1.533 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923408590 644411470 /nfs/dbraw/zinc/41/14/70/644411470.db2.gz CIOBQTUKRUDLPP-WDEREUQCSA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923408590 644411477 /nfs/dbraw/zinc/41/14/77/644411477.db2.gz CIOBQTUKRUDLPP-WDEREUQCSA-N 2 1 202.342 1.063 20 0 BDADMP CSC[C@H](O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923424548 644419785 /nfs/dbraw/zinc/41/97/85/644419785.db2.gz SWZFDJPPYJNBGZ-WHOHXGKFSA-N 2 1 246.420 1.158 20 0 BDADMP CSC[C@H](O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923424548 644419787 /nfs/dbraw/zinc/41/97/87/644419787.db2.gz SWZFDJPPYJNBGZ-WHOHXGKFSA-N 2 1 246.420 1.158 20 0 BDADMP COC1CC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923455586 644436087 /nfs/dbraw/zinc/43/60/87/644436087.db2.gz ZJWVKSUHNVIZHV-PYNQCMFNSA-N 2 1 224.348 1.095 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923455586 644436098 /nfs/dbraw/zinc/43/60/98/644436098.db2.gz ZJWVKSUHNVIZHV-PYNQCMFNSA-N 2 1 224.348 1.095 20 0 BDADMP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456962 644438085 /nfs/dbraw/zinc/43/80/85/644438085.db2.gz STPOHDDLOZDHFS-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456962 644438090 /nfs/dbraw/zinc/43/80/90/644438090.db2.gz STPOHDDLOZDHFS-UONOGXRCSA-N 3 1 239.407 1.579 20 0 BDADMP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@H]1CCC[NH2+]C1 ZINC000085432109 644440728 /nfs/dbraw/zinc/44/07/28/644440728.db2.gz ZJFRCABTFDCEKJ-MNOVXSKESA-N 2 1 249.362 1.343 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454060 644441471 /nfs/dbraw/zinc/44/14/71/644441471.db2.gz DYCFENIDFDHWRV-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454060 644441477 /nfs/dbraw/zinc/44/14/77/644441477.db2.gz DYCFENIDFDHWRV-QWHCGFSZSA-N 3 1 225.380 1.189 20 0 BDADMP Cc1noc([C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923486471 644455892 /nfs/dbraw/zinc/45/58/92/644455892.db2.gz QTMJMZRKKQWFCW-SCZZXKLOSA-N 2 1 224.308 1.110 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000923478514 644456296 /nfs/dbraw/zinc/45/62/96/644456296.db2.gz DCDPDLPWIOTFBN-CHWSQXEVSA-N 2 1 238.375 1.616 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(C)n1 ZINC000923480916 644459730 /nfs/dbraw/zinc/45/97/30/644459730.db2.gz MUOLZDOPGDFNOI-ZDUSSCGKSA-N 2 1 233.359 1.869 20 0 BDADMP CN(CCC[NH2+]C1CC1)C[C@H]1CCC[N@H+]1C ZINC000086188410 644459703 /nfs/dbraw/zinc/45/97/03/644459703.db2.gz PURIFGFJZPPQEL-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@@H]1C[N@@H+](C/C=C/Cl)CC[C@H]1C[NH3+] ZINC000923495428 644461224 /nfs/dbraw/zinc/46/12/24/644461224.db2.gz VKROSHKGTMTVDJ-WMSLEYKJSA-N 2 1 202.729 1.656 20 0 BDADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496343 644462133 /nfs/dbraw/zinc/46/21/33/644462133.db2.gz HMVDQEBVHKXWBM-SRVKXCTJSA-N 2 1 242.363 1.245 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495765 644462965 /nfs/dbraw/zinc/46/29/65/644462965.db2.gz XQCAEYHWVOUPAA-KBPBESRZSA-N 2 1 241.423 1.635 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2N)CC[C@@H]1C[NH3+] ZINC000923490354 644464681 /nfs/dbraw/zinc/46/46/81/644464681.db2.gz NBEPUUYZXWYCRR-WDEREUQCSA-N 2 1 234.347 1.081 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccnc2N)CC[C@H]1C[NH3+] ZINC000923490353 644464711 /nfs/dbraw/zinc/46/47/11/644464711.db2.gz NBEPUUYZXWYCRR-QWRGUYRKSA-N 2 1 234.347 1.081 20 0 BDADMP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000086403513 644466561 /nfs/dbraw/zinc/46/65/61/644466561.db2.gz WLQVOMJOAFJNHU-NXEZZACHSA-N 2 1 225.361 1.811 20 0 BDADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491477 644468254 /nfs/dbraw/zinc/46/82/54/644468254.db2.gz IDGVBIWFGGRMNQ-MJBXVCDLSA-N 2 1 242.407 1.700 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923492129 644468284 /nfs/dbraw/zinc/46/82/84/644468284.db2.gz WFECFTXNQIEJHZ-AAEUAGOBSA-N 2 1 249.358 1.507 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923494118 644471017 /nfs/dbraw/zinc/47/10/17/644471017.db2.gz KNMUQTVMMRAPSV-FZMZJTMJSA-N 2 1 233.359 1.807 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923499554 644471822 /nfs/dbraw/zinc/47/18/22/644471822.db2.gz SNCJDJOIQJKOHV-ONGXEEELSA-N 2 1 223.320 1.400 20 0 BDADMP CCc1noc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923497634 644473190 /nfs/dbraw/zinc/47/31/90/644473190.db2.gz HQABRYXWQAUINZ-ZJUUUORDSA-N 2 1 238.335 1.049 20 0 BDADMP CCc1noc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923497634 644473195 /nfs/dbraw/zinc/47/31/95/644473195.db2.gz HQABRYXWQAUINZ-ZJUUUORDSA-N 2 1 238.335 1.049 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1C[NH3+] ZINC000923499463 644474203 /nfs/dbraw/zinc/47/42/03/644474203.db2.gz KZHAQRZULDTPCC-VXGBXAGGSA-N 2 1 219.332 1.498 20 0 BDADMP O[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000923515582 644479811 /nfs/dbraw/zinc/47/98/11/644479811.db2.gz HREQYDVBBNWBFH-RRFJBIMHSA-N 2 1 246.354 1.261 20 0 BDADMP C1=CCC(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923516168 644481044 /nfs/dbraw/zinc/48/10/44/644481044.db2.gz TVDBYNMDHHXELB-QWHCGFSZSA-N 2 1 206.333 1.494 20 0 BDADMP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccn1 ZINC000923521239 644482366 /nfs/dbraw/zinc/48/23/66/644482366.db2.gz KPFZPGSHPAWRQI-QWHCGFSZSA-N 2 1 217.316 1.123 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520436 644483096 /nfs/dbraw/zinc/48/30/96/644483096.db2.gz YZWUWQSHNYJMDC-WDEREUQCSA-N 2 1 214.378 1.281 20 0 BDADMP COCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923532829 644489390 /nfs/dbraw/zinc/48/93/90/644489390.db2.gz CMUJLGFXQRGCOT-CYBMUJFWSA-N 2 1 226.364 1.631 20 0 BDADMP COCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923532829 644489391 /nfs/dbraw/zinc/48/93/91/644489391.db2.gz CMUJLGFXQRGCOT-CYBMUJFWSA-N 2 1 226.364 1.631 20 0 BDADMP C[N@H+](Cc1cccc(=O)[nH]1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923553533 644494153 /nfs/dbraw/zinc/49/41/53/644494153.db2.gz KATSCSFBALAUAY-MNOVXSKESA-N 2 1 235.331 1.346 20 0 BDADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C[C@H]1CCC[NH2+]1 ZINC000923554715 644498650 /nfs/dbraw/zinc/49/86/50/644498650.db2.gz OLMKIYZZYSDUMB-ZIAGYGMSSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@@H+](Cc1cccc(=O)[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000923555830 644501125 /nfs/dbraw/zinc/50/11/25/644501125.db2.gz WYTRTJNOFHEXGP-NSHDSACASA-N 2 1 235.331 1.219 20 0 BDADMP C[N@H+](Cc1cccc(=O)[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000923555830 644501129 /nfs/dbraw/zinc/50/11/29/644501129.db2.gz WYTRTJNOFHEXGP-NSHDSACASA-N 2 1 235.331 1.219 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251752009 644819981 /nfs/dbraw/zinc/81/99/81/644819981.db2.gz LKIVFLXEFCMGGZ-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252739636 644897116 /nfs/dbraw/zinc/89/71/16/644897116.db2.gz FYQIRSCWRDWBLW-JVGWCMFKSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)CO ZINC000926542238 645265668 /nfs/dbraw/zinc/26/56/68/645265668.db2.gz QRUTWAHLUXYWSP-ODWCKFRGSA-N 2 1 240.391 1.608 20 0 BDADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000843129430 645266982 /nfs/dbraw/zinc/26/69/82/645266982.db2.gz UADQNHGSKWTZIM-RISCZKNCSA-N 2 1 233.359 1.375 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CC1(F)F ZINC000926738555 645395221 /nfs/dbraw/zinc/39/52/21/645395221.db2.gz ULEQUGXJYXZFMD-PSIUFMSWSA-N 2 1 244.329 1.962 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCOC(F)F)[C@H]1CC[NH3+] ZINC000852753653 645488994 /nfs/dbraw/zinc/48/89/94/645488994.db2.gz PXGDLKNLCYGIPX-ZJUUUORDSA-N 2 1 236.306 1.675 20 0 BDADMP CCO[C@H](C[NH2+]C(C1CC1)C1CC1)C[NH+](C)C ZINC000926965698 645499003 /nfs/dbraw/zinc/49/90/03/645499003.db2.gz SJDOVUBQSGIWHX-CYBMUJFWSA-N 2 1 240.391 1.731 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000011891334 645652791 /nfs/dbraw/zinc/65/27/91/645652791.db2.gz ZEJNQGBUYVNVBS-JTQLQIEISA-N 2 1 210.346 1.571 20 0 BDADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925494106 645730092 /nfs/dbraw/zinc/73/00/92/645730092.db2.gz NJDVRGXIMUDFOB-RYUDHWBXSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H](c1ncccn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929281793 646058620 /nfs/dbraw/zinc/05/86/20/646058620.db2.gz CVNNKHGOLWWYDV-GFCCVEGCSA-N 2 1 248.374 1.811 20 0 BDADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)CO ZINC000924576365 646072589 /nfs/dbraw/zinc/07/25/89/646072589.db2.gz QUSWPVKFSWJDJG-SNVBAGLBSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C(C)(C)CO ZINC000924578188 646073297 /nfs/dbraw/zinc/07/32/97/646073297.db2.gz OVEJOCHMZMLPPK-LBPRGKRZSA-N 2 1 242.407 1.857 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000924652529 646085822 /nfs/dbraw/zinc/08/58/22/646085822.db2.gz AXLIOFXKLKJWSS-STQMWFEESA-N 2 1 242.407 1.979 20 0 BDADMP C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccnnc1 ZINC000924648597 646085894 /nfs/dbraw/zinc/08/58/94/646085894.db2.gz MFVAUZWVLVHGHH-RYUDHWBXSA-N 2 1 246.358 1.612 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccnnc1 ZINC000924648597 646085908 /nfs/dbraw/zinc/08/59/08/646085908.db2.gz MFVAUZWVLVHGHH-RYUDHWBXSA-N 2 1 246.358 1.612 20 0 BDADMP Cc1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000723626776 711526933 /nfs/dbraw/zinc/52/69/33/711526933.db2.gz IISWPGSUJOZWBF-LDYMZIIASA-N 2 1 223.320 1.318 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924755828 646102606 /nfs/dbraw/zinc/10/26/06/646102606.db2.gz XKCSKRVWFZTUCZ-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccnnc1 ZINC000924871648 646122034 /nfs/dbraw/zinc/12/20/34/646122034.db2.gz FOUIZKHCBFUDMX-JTQLQIEISA-N 2 1 231.303 1.332 20 0 BDADMP Cc1cccc2c1[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CC2 ZINC000924993484 646152454 /nfs/dbraw/zinc/15/24/54/646152454.db2.gz LJVRLRAFWOGPSS-KBPBESRZSA-N 2 1 248.370 1.494 20 0 BDADMP CC[C@@H](CO)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000929750236 646282464 /nfs/dbraw/zinc/28/24/64/646282464.db2.gz SXVPIRORITUQIQ-STQMWFEESA-N 2 1 228.380 1.421 20 0 BDADMP CCC(CC)[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925479588 646292074 /nfs/dbraw/zinc/29/20/74/646292074.db2.gz SHYLSKCPOYLSIW-RYUDHWBXSA-N 2 1 228.380 1.514 20 0 BDADMP Cn1ccnc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925479996 646292969 /nfs/dbraw/zinc/29/29/69/646292969.db2.gz UHHQLDXJXXFTSI-WDEREUQCSA-N 2 1 236.363 1.416 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000925482206 646295295 /nfs/dbraw/zinc/29/52/95/646295295.db2.gz MPMBUNMKWPYDJZ-RISCZKNCSA-N 2 1 234.343 1.844 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCSC1 ZINC000925483044 646295643 /nfs/dbraw/zinc/29/56/43/646295643.db2.gz ZVJAXVHMKYDLIG-PSIUFMSWSA-N 2 1 226.389 1.422 20 0 BDADMP C[N@@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486253 646297648 /nfs/dbraw/zinc/29/76/48/646297648.db2.gz GKSBYOUORKPXKW-WOPDTQHZSA-N 2 1 225.380 1.186 20 0 BDADMP C[N@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925486253 646297660 /nfs/dbraw/zinc/29/76/60/646297660.db2.gz GKSBYOUORKPXKW-WOPDTQHZSA-N 2 1 225.380 1.186 20 0 BDADMP CCc1cc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)[nH]n1 ZINC000925487786 646298965 /nfs/dbraw/zinc/29/89/65/646298965.db2.gz FPSLKUYXSXYTFS-NWDGAFQWSA-N 2 1 234.347 1.332 20 0 BDADMP CCc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[nH]n1 ZINC000925487786 646298967 /nfs/dbraw/zinc/29/89/67/646298967.db2.gz FPSLKUYXSXYTFS-NWDGAFQWSA-N 2 1 234.347 1.332 20 0 BDADMP C[NH+]1CCC(CN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925497697 646302028 /nfs/dbraw/zinc/30/20/28/646302028.db2.gz YSJGANCMXLMEFN-GFCCVEGCSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925548491 646326430 /nfs/dbraw/zinc/32/64/30/646326430.db2.gz CITWUOKPZTVIDN-CHWSQXEVSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925550838 646329917 /nfs/dbraw/zinc/32/99/17/646329917.db2.gz DJTQVXPLFCNYQI-CABNGKKXSA-N 2 1 249.402 1.329 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925556472 646332091 /nfs/dbraw/zinc/33/20/91/646332091.db2.gz JNQDMHHEOOIOPJ-CHWSQXEVSA-N 2 1 227.396 1.447 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH2+]C1(C)C)C1CC1 ZINC000925554989 646332125 /nfs/dbraw/zinc/33/21/25/646332125.db2.gz CLPCCPKWLVPCTR-GFCCVEGCSA-N 2 1 225.380 1.201 20 0 BDADMP CC[N@@H+](CCN[C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925557254 646333874 /nfs/dbraw/zinc/33/38/74/646333874.db2.gz NCCDDPKJHUSWNB-STQMWFEESA-N 2 1 239.407 1.576 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925556832 646333743 /nfs/dbraw/zinc/33/37/43/646333743.db2.gz LMABPMRJVYFRRR-ZDUSSCGKSA-N 2 1 239.407 1.591 20 0 BDADMP C[N@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925558578 646334044 /nfs/dbraw/zinc/33/40/44/646334044.db2.gz TVGDOLWSIMNKSX-RYUDHWBXSA-N 2 1 225.380 1.058 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000925563114 646335057 /nfs/dbraw/zinc/33/50/57/646335057.db2.gz RMZCQNBRZZBIHG-UPJWGTAASA-N 2 1 237.391 1.343 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925580503 646344556 /nfs/dbraw/zinc/34/45/56/646344556.db2.gz LCCMANXMIQZRET-WDEREUQCSA-N 2 1 214.353 1.124 20 0 BDADMP Cn1cc(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000925577409 646344821 /nfs/dbraw/zinc/34/48/21/646344821.db2.gz OEWAIRWOHRPMGB-LBPRGKRZSA-N 2 1 236.363 1.083 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925614689 646362558 /nfs/dbraw/zinc/36/25/58/646362558.db2.gz ZZZRLQBBRRLRPJ-WDEREUQCSA-N 2 1 212.337 1.022 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925621835 646367185 /nfs/dbraw/zinc/36/71/85/646367185.db2.gz GZAVALVXRJSMKU-NWDGAFQWSA-N 2 1 225.380 1.201 20 0 BDADMP CCOCCC1(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925622452 646369294 /nfs/dbraw/zinc/36/92/94/646369294.db2.gz NLFORUADXYTNDD-OLZOCXBDSA-N 2 1 240.391 1.923 20 0 BDADMP CCOCCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925622454 646370013 /nfs/dbraw/zinc/37/00/13/646370013.db2.gz NLFORUADXYTNDD-QWHCGFSZSA-N 2 1 240.391 1.923 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000925644343 646384811 /nfs/dbraw/zinc/38/48/11/646384811.db2.gz LSADUKVCLIFXGW-QWRGUYRKSA-N 2 1 210.321 1.409 20 0 BDADMP C1=CO[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925646760 646387118 /nfs/dbraw/zinc/38/71/18/646387118.db2.gz VZNARKSOFUUGJY-CHWSQXEVSA-N 2 1 236.359 1.943 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925658398 646394390 /nfs/dbraw/zinc/39/43/90/646394390.db2.gz SPPWTKPRAUFJID-SECBINFHSA-N 2 1 214.378 1.612 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C12CCC2 ZINC000925667205 646398601 /nfs/dbraw/zinc/39/86/01/646398601.db2.gz AORDABWWLNXTIQ-ZWKOPEQDSA-N 2 1 246.358 1.127 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000925668888 646400524 /nfs/dbraw/zinc/40/05/24/646400524.db2.gz LIAQFNFYPQSDEP-SGMGOOAPSA-N 2 1 246.354 1.893 20 0 BDADMP CC(C)SCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925670215 646400816 /nfs/dbraw/zinc/40/08/16/646400816.db2.gz HZDRNTMFOGLDJC-SNVBAGLBSA-N 2 1 216.394 1.858 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925674441 646403508 /nfs/dbraw/zinc/40/35/08/646403508.db2.gz JIEMICCLBXHPBV-QWHCGFSZSA-N 2 1 238.375 1.676 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925678841 646407572 /nfs/dbraw/zinc/40/75/72/646407572.db2.gz XOVLUOKNWMYLJR-CHWSQXEVSA-N 2 1 249.358 1.905 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000925684633 646410391 /nfs/dbraw/zinc/41/03/91/646410391.db2.gz IMCDFSWJCFZYFE-GFCCVEGCSA-N 2 1 234.347 1.058 20 0 BDADMP Cc1cnc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000925686347 646412843 /nfs/dbraw/zinc/41/28/43/646412843.db2.gz UMHWNCOPESKFKC-DGCLKSJQSA-N 2 1 234.347 1.058 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C12CCC2 ZINC000925686740 646413016 /nfs/dbraw/zinc/41/30/16/646413016.db2.gz VYSZZCMBVDJBBG-IJLUTSLNSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@@H]1NCCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000925686506 646413153 /nfs/dbraw/zinc/41/31/53/646413153.db2.gz VPTDVHTUQYKRNA-JSGCOSHPSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000925686506 646413157 /nfs/dbraw/zinc/41/31/57/646413157.db2.gz VPTDVHTUQYKRNA-JSGCOSHPSA-N 3 1 239.407 1.591 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000925686506 646413160 /nfs/dbraw/zinc/41/31/60/646413160.db2.gz VPTDVHTUQYKRNA-JSGCOSHPSA-N 3 1 239.407 1.591 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925695379 646420141 /nfs/dbraw/zinc/42/01/41/646420141.db2.gz QOROFNPVPZSPCT-OUAUKWLOSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925701757 646425069 /nfs/dbraw/zinc/42/50/69/646425069.db2.gz DXPXAYJBEKVMKQ-WCQYABFASA-N 3 1 225.380 1.106 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925703223 646427646 /nfs/dbraw/zinc/42/76/46/646427646.db2.gz COSXMWLQORJMIG-VXGBXAGGSA-N 2 1 239.407 1.589 20 0 BDADMP C1=C(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925704177 646429232 /nfs/dbraw/zinc/42/92/32/646429232.db2.gz BSDXMQSTXNVGAZ-LBPRGKRZSA-N 2 1 206.333 1.971 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925703964 646429334 /nfs/dbraw/zinc/42/93/34/646429334.db2.gz FOANOWYRGDELJM-WCQYABFASA-N 2 1 223.364 1.026 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1ccco1 ZINC000925715523 646440592 /nfs/dbraw/zinc/44/05/92/646440592.db2.gz JFSOJWATUZWXEL-WCQYABFASA-N 2 1 222.332 1.942 20 0 BDADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925717992 646442734 /nfs/dbraw/zinc/44/27/34/646442734.db2.gz MJWTUHQAGCSKTN-RXGFPQBGSA-N 2 1 238.375 1.673 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)C12CCC2 ZINC000925723481 646448023 /nfs/dbraw/zinc/44/80/23/646448023.db2.gz WEQKELDYRGJWMK-WDEREUQCSA-N 2 1 235.306 1.580 20 0 BDADMP N[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C12CCC2 ZINC000925724933 646449729 /nfs/dbraw/zinc/44/97/29/646449729.db2.gz FUVCYXKFYAEVIC-LPWJVIDDSA-N 2 1 237.391 1.363 20 0 BDADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729233 646454069 /nfs/dbraw/zinc/45/40/69/646454069.db2.gz ZHEBSTXFQFSEGY-HBJVGIJOSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@@H]([NH3+])[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000925729233 646454071 /nfs/dbraw/zinc/45/40/71/646454071.db2.gz ZHEBSTXFQFSEGY-HBJVGIJOSA-N 2 1 233.359 1.402 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000925729719 646454872 /nfs/dbraw/zinc/45/48/72/646454872.db2.gz LINQJXVRBRBBME-PEDHHIEDSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1CC([NH3+])C1)c1ccccc1 ZINC000925732636 646456376 /nfs/dbraw/zinc/45/63/76/646456376.db2.gz ZHEBSTXFQFSEGY-PYULLRNSSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@H]([NH3+])[C@@H](NCC1CC([NH3+])C1)c1ccccc1 ZINC000925732636 646456391 /nfs/dbraw/zinc/45/63/91/646456391.db2.gz ZHEBSTXFQFSEGY-PYULLRNSSA-N 2 1 233.359 1.402 20 0 BDADMP C[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000925731234 646456534 /nfs/dbraw/zinc/45/65/34/646456534.db2.gz ZLAWEUZHOQCNOO-AAEUAGOBSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cnccn1 ZINC000925740187 646461779 /nfs/dbraw/zinc/46/17/79/646461779.db2.gz FDJARMCNDIUFBL-SECBINFHSA-N 2 1 208.309 1.255 20 0 BDADMP Cc1cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])nn1C ZINC000925739527 646462461 /nfs/dbraw/zinc/46/24/61/646462461.db2.gz YCUKXWMVIWPABV-JTQLQIEISA-N 2 1 224.352 1.507 20 0 BDADMP C[C@H]1C[C@H](NCCC(C)(C)[NH3+])C[N@H+]1C1CC1 ZINC000925742697 646464196 /nfs/dbraw/zinc/46/41/96/646464196.db2.gz XBKTYOSRPLILON-QWRGUYRKSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CN1C1CC1 ZINC000925742697 646464202 /nfs/dbraw/zinc/46/42/02/646464202.db2.gz XBKTYOSRPLILON-QWRGUYRKSA-N 2 1 225.380 1.329 20 0 BDADMP C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1c[nH+]ccc1N ZINC000925780100 646477683 /nfs/dbraw/zinc/47/76/83/646477683.db2.gz OKFHSRQNCQCVPG-CDWSIMAYSA-N 2 1 249.358 1.838 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)C[N@H+]1C1CC1 ZINC000925792117 646484328 /nfs/dbraw/zinc/48/43/28/646484328.db2.gz SZKIRBAVYZGXSH-NDBYEHHHSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CN1C1CC1 ZINC000925792117 646484331 /nfs/dbraw/zinc/48/43/31/646484331.db2.gz SZKIRBAVYZGXSH-NDBYEHHHSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925797728 646486432 /nfs/dbraw/zinc/48/64/32/646486432.db2.gz VLFWQGMWNOJRAW-LPWJVIDDSA-N 2 1 237.391 1.092 20 0 BDADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C1CC(F)(F)C1 ZINC000926205628 646595420 /nfs/dbraw/zinc/59/54/20/646595420.db2.gz BASXFOCWWWKCLL-VIFPVBQESA-N 2 1 243.301 1.986 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nn1C ZINC000723886000 711543215 /nfs/dbraw/zinc/54/32/15/711543215.db2.gz FPRMZNLTTCPOTA-ZYHUDNBSSA-N 2 1 236.363 1.145 20 0 BDADMP CCCCC1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000934203628 711575163 /nfs/dbraw/zinc/57/51/63/711575163.db2.gz TWRYJIUUYULTOO-CYBMUJFWSA-N 2 1 242.407 2.000 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000396587944 711702020 /nfs/dbraw/zinc/70/20/20/711702020.db2.gz BBCPDWCZCQUIKB-SRVKXCTJSA-N 2 1 228.380 1.514 20 0 BDADMP CC[N@H+](CC[NH2+][C@@H](C)C(C)(C)CO)C(C)C ZINC000924909609 711765772 /nfs/dbraw/zinc/76/57/72/711765772.db2.gz OXQRKAWHAMZXPZ-LBPRGKRZSA-N 2 1 230.396 1.713 20 0 BDADMP CC[N@@H+](CC[NH2+][C@@H](C)C(C)(C)CO)C(C)C ZINC000924909609 711765773 /nfs/dbraw/zinc/76/57/73/711765773.db2.gz OXQRKAWHAMZXPZ-LBPRGKRZSA-N 2 1 230.396 1.713 20 0 BDADMP FC1(F)CC(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000383006254 711945063 /nfs/dbraw/zinc/94/50/63/711945063.db2.gz AWHGDUHKLWDITE-AOOOYVTPSA-N 2 1 216.275 1.183 20 0 BDADMP Cn1c(Cl)cnc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000700255671 711989180 /nfs/dbraw/zinc/98/91/80/711989180.db2.gz UFXGGIYEOWAODH-SECBINFHSA-N 2 1 242.754 1.244 20 0 BDADMP Cn1c(Cl)cnc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000700255671 711989182 /nfs/dbraw/zinc/98/91/82/711989182.db2.gz UFXGGIYEOWAODH-SECBINFHSA-N 2 1 242.754 1.244 20 0 BDADMP CCC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000708960951 712204269 /nfs/dbraw/zinc/20/42/69/712204269.db2.gz YXULFNQIXBHZSF-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000708960951 712204270 /nfs/dbraw/zinc/20/42/70/712204270.db2.gz YXULFNQIXBHZSF-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000709034118 712206291 /nfs/dbraw/zinc/20/62/91/712206291.db2.gz JLYQLRHLENLJKP-WYUUTHIRSA-N 2 1 212.337 1.081 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000709034114 712206293 /nfs/dbraw/zinc/20/62/93/712206293.db2.gz JLYQLRHLENLJKP-NNYUYHANSA-N 2 1 212.337 1.081 20 0 BDADMP C[C@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709130028 712209927 /nfs/dbraw/zinc/20/99/27/712209927.db2.gz JEZDSMPSNLUHOS-NWDGAFQWSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H](C[N@H+]1CCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC000709130028 712209929 /nfs/dbraw/zinc/20/99/29/712209929.db2.gz JEZDSMPSNLUHOS-NWDGAFQWSA-N 2 1 228.380 1.718 20 0 BDADMP CC1(C)C[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)C(C)(C)O1 ZINC000709687389 712215494 /nfs/dbraw/zinc/21/54/94/712215494.db2.gz PRRAMGNZXOOCNC-NEPJUHHUSA-N 2 1 240.391 1.861 20 0 BDADMP COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000710956387 712267930 /nfs/dbraw/zinc/26/79/30/712267930.db2.gz FORYRNSRRPEXPP-NWDGAFQWSA-N 2 1 242.363 1.069 20 0 BDADMP COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000710956387 712267931 /nfs/dbraw/zinc/26/79/31/712267931.db2.gz FORYRNSRRPEXPP-NWDGAFQWSA-N 2 1 242.363 1.069 20 0 BDADMP COC1(OC)CC[C@@H]1NCCC[N@@H+](C)C(C)C ZINC000710988674 712272119 /nfs/dbraw/zinc/27/21/19/712272119.db2.gz MLYCZHZIUSCKKF-LBPRGKRZSA-N 2 1 244.379 1.458 20 0 BDADMP COC1(OC)CC[C@@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000710988674 712272122 /nfs/dbraw/zinc/27/21/22/712272122.db2.gz MLYCZHZIUSCKKF-LBPRGKRZSA-N 2 1 244.379 1.458 20 0 BDADMP COC1(OC)CC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000710988674 712272124 /nfs/dbraw/zinc/27/21/24/712272124.db2.gz MLYCZHZIUSCKKF-LBPRGKRZSA-N 2 1 244.379 1.458 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711539301 712309867 /nfs/dbraw/zinc/30/98/67/712309867.db2.gz CMAVSUMOVJCWQE-OUAUKWLOSA-N 2 1 212.362 1.033 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711539301 712309868 /nfs/dbraw/zinc/30/98/68/712309868.db2.gz CMAVSUMOVJCWQE-OUAUKWLOSA-N 2 1 212.362 1.033 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CC[C@@H]1CC[NH2+]C1 ZINC000923435142 712322292 /nfs/dbraw/zinc/32/22/92/712322292.db2.gz DRELJIDAVBFNOJ-RVMXOQNASA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]1CCC[N@H+](CCOC2CC2)[C@@H]1C[NH3+] ZINC000711753043 712325207 /nfs/dbraw/zinc/32/52/07/712325207.db2.gz OQBGRACFDKPRIN-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@H]1CCC[N@@H+](CCOC2CC2)[C@@H]1C[NH3+] ZINC000711753043 712325209 /nfs/dbraw/zinc/32/52/09/712325209.db2.gz OQBGRACFDKPRIN-CMPLNLGQSA-N 2 1 212.337 1.225 20 0 BDADMP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)o1 ZINC000390464758 712418355 /nfs/dbraw/zinc/41/83/55/712418355.db2.gz HKEXHDLATGARSL-STQMWFEESA-N 2 1 220.316 1.548 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000713730612 712470837 /nfs/dbraw/zinc/47/08/37/712470837.db2.gz DBGIYVSFHUWHAJ-OOPCZODUSA-N 2 1 206.333 1.804 20 0 BDADMP C[C@@]1(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCC[NH2+]C1 ZINC000715524525 712525717 /nfs/dbraw/zinc/52/57/17/712525717.db2.gz XFFHEEIHUUOVRF-OUAUKWLOSA-N 2 1 230.302 1.573 20 0 BDADMP C[C@@]1(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCC[NH2+]C1 ZINC000715524525 712525719 /nfs/dbraw/zinc/52/57/19/712525719.db2.gz XFFHEEIHUUOVRF-OUAUKWLOSA-N 2 1 230.302 1.573 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000717647068 712663396 /nfs/dbraw/zinc/66/33/96/712663396.db2.gz BOWAAIKNICMSHS-GHMZBOCLSA-N 2 1 228.380 1.765 20 0 BDADMP Cc1coc(C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000718142357 712748021 /nfs/dbraw/zinc/74/80/21/712748021.db2.gz BDEFEHWJAPKWRG-UHFFFAOYSA-N 2 1 219.288 1.883 20 0 BDADMP C[C@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1C ZINC000719627773 712814898 /nfs/dbraw/zinc/81/48/98/712814898.db2.gz WQSIHZQAWRNFCZ-YVECIDJPSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000719627773 712814902 /nfs/dbraw/zinc/81/49/02/712814902.db2.gz WQSIHZQAWRNFCZ-YVECIDJPSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@H]1[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000719627773 712814905 /nfs/dbraw/zinc/81/49/05/712814905.db2.gz WQSIHZQAWRNFCZ-YVECIDJPSA-N 2 1 225.380 1.151 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](C)CC2)CC[NH2+]1 ZINC000719777924 712824396 /nfs/dbraw/zinc/82/43/96/712824396.db2.gz JLMSCVWTCPEXBS-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1ccns1 ZINC000719846549 712825964 /nfs/dbraw/zinc/82/59/64/712825964.db2.gz QFOJGNRRQPAGQK-NSHDSACASA-N 2 1 239.388 1.889 20 0 BDADMP CC(C)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720869074 712872170 /nfs/dbraw/zinc/87/21/70/712872170.db2.gz CBAWWBCUWDSMBP-SFYZADRCSA-N 2 1 210.243 1.464 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720868389 712872173 /nfs/dbraw/zinc/87/21/73/712872173.db2.gz XWFCJEUDSXMGGX-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(OC)C2)C1 ZINC000381483789 710645587 /nfs/dbraw/zinc/64/55/87/710645587.db2.gz UJTQLTHWHKYNEU-PNESKVBLSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CC2)CC[N@@H+]1C ZINC000381729324 710688799 /nfs/dbraw/zinc/68/87/99/710688799.db2.gz NDNBIDHVMQJOLV-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CC2)CC[N@H+]1C ZINC000381729324 710688804 /nfs/dbraw/zinc/68/88/04/710688804.db2.gz NDNBIDHVMQJOLV-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000380532237 712901210 /nfs/dbraw/zinc/90/12/10/712901210.db2.gz DVRALTRJHCRLNP-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000380532237 712901211 /nfs/dbraw/zinc/90/12/11/712901211.db2.gz DVRALTRJHCRLNP-NDBYEHHHSA-N 2 1 224.348 1.238 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000723117398 710726609 /nfs/dbraw/zinc/72/66/09/710726609.db2.gz IAYCMOYTEVUDIU-MROQNXINSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC2(CCC2)C1 ZINC000380520705 712901413 /nfs/dbraw/zinc/90/14/13/712901413.db2.gz SSHPKFVWLVZEEW-NEPJUHHUSA-N 2 1 208.349 1.718 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396544580 710906885 /nfs/dbraw/zinc/90/68/85/710906885.db2.gz BPOBAGGWMGOPOS-OUAUKWLOSA-N 2 1 200.326 1.142 20 0 BDADMP COCCCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396706086 710907447 /nfs/dbraw/zinc/90/74/47/710907447.db2.gz ORPBEBGJVAWABG-NWDGAFQWSA-N 2 1 214.353 1.533 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000396542601 710907639 /nfs/dbraw/zinc/90/76/39/710907639.db2.gz BCAVFQCBIABTGR-OCCSQVGLSA-N 2 1 218.344 1.959 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396716764 710907658 /nfs/dbraw/zinc/90/76/58/710907658.db2.gz UEBIIDMRLFSDES-QJPTWQEYSA-N 2 1 214.353 1.125 20 0 BDADMP COCCOCCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396678951 710907973 /nfs/dbraw/zinc/90/79/73/710907973.db2.gz VCHSGHOGBHBQSO-STQMWFEESA-N 2 1 244.379 1.160 20 0 BDADMP CC[C@H](O)CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000398579714 710911302 /nfs/dbraw/zinc/91/13/02/710911302.db2.gz SQMNRTAEYSJFMX-WOPDTQHZSA-N 2 1 214.353 1.268 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)OC ZINC000383091249 710977583 /nfs/dbraw/zinc/97/75/83/710977583.db2.gz LJMJWBOQNRJIFS-GMDXDWKASA-N 2 1 238.375 1.388 20 0 BDADMP CCCC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000383584804 710983656 /nfs/dbraw/zinc/98/36/56/710983656.db2.gz MRNGYKASHWRHCN-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000383584804 710983657 /nfs/dbraw/zinc/98/36/57/710983657.db2.gz MRNGYKASHWRHCN-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCCC[C@H]1CO ZINC000385891218 711019422 /nfs/dbraw/zinc/01/94/22/711019422.db2.gz ZFYRBCWSDTYBBQ-ZDUSSCGKSA-N 2 1 228.380 1.742 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCCC[C@@H]1CO ZINC000385891211 711019821 /nfs/dbraw/zinc/01/98/21/711019821.db2.gz ZFYRBCWSDTYBBQ-CYBMUJFWSA-N 2 1 228.380 1.742 20 0 BDADMP CCOC(=O)CCCCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000390081307 711104698 /nfs/dbraw/zinc/10/46/98/711104698.db2.gz BVVJXTOFGXIRJB-NSHDSACASA-N 2 1 230.352 1.389 20 0 BDADMP C(CC1CC1)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000394459645 711192356 /nfs/dbraw/zinc/19/23/56/711192356.db2.gz UBQXLEHDGTYTEZ-AWEZNQCLSA-N 2 1 237.391 1.156 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000395034571 711200445 /nfs/dbraw/zinc/20/04/45/711200445.db2.gz QYGKEFOQBPBOKV-ODWCKFRGSA-N 2 1 240.391 1.751 20 0 BDADMP CC(C)CCOCC[NH2+][C@H]1CCCN[C@H]1C ZINC000396638168 711361137 /nfs/dbraw/zinc/36/11/37/711361137.db2.gz LVANUSFUXCFGMA-STQMWFEESA-N 2 1 228.380 1.779 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000396592738 711354871 /nfs/dbraw/zinc/35/48/71/711354871.db2.gz UNNCKVRBVNQBID-SCRDCRAPSA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000396570264 711355293 /nfs/dbraw/zinc/35/52/93/711355293.db2.gz AJWPNBWJWKPXCO-LOWDOPEQSA-N 2 1 226.364 1.268 20 0 BDADMP CCOCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396579219 711357345 /nfs/dbraw/zinc/35/73/45/711357345.db2.gz ONUPWWFJCMVXKD-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000396613405 711361759 /nfs/dbraw/zinc/36/17/59/711361759.db2.gz RQZDGJAPXNACRS-XVSSEFHLSA-N 2 1 226.364 1.268 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1(C)C ZINC000396604332 711358855 /nfs/dbraw/zinc/35/88/55/711358855.db2.gz OKTFBZBHKZAAPH-FIQHERPVSA-N 2 1 226.364 1.530 20 0 BDADMP CS[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396593104 711359183 /nfs/dbraw/zinc/35/91/83/711359183.db2.gz XRBBAEYTBPRTTO-UTLUCORTSA-N 2 1 202.367 1.468 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000396673835 711364641 /nfs/dbraw/zinc/36/46/41/711364641.db2.gz RUFXYNQVYRTBOD-TUAOUCFPSA-N 2 1 228.405 1.860 20 0 BDADMP Cc1nc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)cs1 ZINC000396673912 711365485 /nfs/dbraw/zinc/36/54/85/711365485.db2.gz RVYDEJFICNANTD-CABZTGNLSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000396715114 711367551 /nfs/dbraw/zinc/36/75/51/711367551.db2.gz QYNAHYUXEHZIBP-AAEUAGOBSA-N 3 1 225.380 1.058 20 0 BDADMP C[N@@H+](C[C@@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000398879132 711416327 /nfs/dbraw/zinc/41/63/27/711416327.db2.gz GSPFETAAMVEQQJ-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP ClC1(Cl)C[C@@H]1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000399248730 711425569 /nfs/dbraw/zinc/42/55/69/711425569.db2.gz JEJDCLKZFFJRTJ-GUBZILKMSA-N 2 1 249.185 1.722 20 0 BDADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000399265437 711426115 /nfs/dbraw/zinc/42/61/15/711426115.db2.gz RHNRSYUGMLUVJM-JGVFFNPUSA-N 2 1 225.163 1.849 20 0 BDADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC([NH3+])C1 ZINC000399441630 711430332 /nfs/dbraw/zinc/43/03/32/711430332.db2.gz WFNIYLSXVQZUMD-UEJVZZJDSA-N 2 1 237.174 1.992 20 0 BDADMP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396726620 711366479 /nfs/dbraw/zinc/36/64/79/711366479.db2.gz WPSCWPPOECUGCC-VWYCJHECSA-N 2 1 214.353 1.266 20 0 BDADMP Cc1ncsc1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396724971 711366576 /nfs/dbraw/zinc/36/65/76/711366576.db2.gz VLBGCECONZAXOZ-ONGXEEELSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H](C)[C@H]1C ZINC000399617227 711433072 /nfs/dbraw/zinc/43/30/72/711433072.db2.gz RVNUMCBTDMTIIL-ZOBORPQBSA-N 2 1 240.391 1.419 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H](C)[C@H]1C ZINC000399617227 711433074 /nfs/dbraw/zinc/43/30/74/711433074.db2.gz RVNUMCBTDMTIIL-ZOBORPQBSA-N 2 1 240.391 1.419 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000723054916 711498050 /nfs/dbraw/zinc/49/80/50/711498050.db2.gz GGYYCXFWAHQMRD-RQJABVFESA-N 2 1 222.376 1.964 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000723646506 711529927 /nfs/dbraw/zinc/52/99/27/711529927.db2.gz IISWPGSUJOZWBF-GZMMTYOYSA-N 2 1 223.320 1.318 20 0 BDADMP CCc1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000723713737 711535246 /nfs/dbraw/zinc/53/52/46/711535246.db2.gz ZMLZKDLTJVGBSM-JTQLQIEISA-N 2 1 239.388 1.876 20 0 BDADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713680 711535724 /nfs/dbraw/zinc/53/57/24/711535724.db2.gz XITKVNZDOJCZLD-QWRGUYRKSA-N 2 1 220.320 1.208 20 0 BDADMP CCC[C@@H](C(=O)OCC)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723875762 711541553 /nfs/dbraw/zinc/54/15/53/711541553.db2.gz CLKPHZVEAHUHLY-UTUOFQBUSA-N 2 1 242.363 1.245 20 0 BDADMP CCC[C@@H](C(=O)OCC)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723875762 711541555 /nfs/dbraw/zinc/54/15/55/711541555.db2.gz CLKPHZVEAHUHLY-UTUOFQBUSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892292 711543790 /nfs/dbraw/zinc/54/37/90/711543790.db2.gz QYXKSQPQWIGNIL-UTUOFQBUSA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1CC[NH3+] ZINC000723902701 711544740 /nfs/dbraw/zinc/54/47/40/711544740.db2.gz YSLRCDPOOAWLKA-ZIAGYGMSSA-N 2 1 248.370 1.982 20 0 BDADMP C[C@H]1SCC[N@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC000132527903 711558146 /nfs/dbraw/zinc/55/81/46/711558146.db2.gz MODYQEMEZOBSSN-WDEREUQCSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@H]1SCC[N@@H+](CCC[NH2+]C2CC2)[C@H]1C ZINC000132527903 711558147 /nfs/dbraw/zinc/55/81/47/711558147.db2.gz MODYQEMEZOBSSN-WDEREUQCSA-N 2 1 228.405 1.954 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC[NH2+]C1CC1 ZINC000724177176 711567031 /nfs/dbraw/zinc/56/70/31/711567031.db2.gz BULJQMNRPBEHRN-NWDGAFQWSA-N 2 1 212.337 1.238 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1CC=CC1)C1CC1 ZINC000724198196 711568914 /nfs/dbraw/zinc/56/89/14/711568914.db2.gz MCXRSGDQGHUYDT-AWEZNQCLSA-N 2 1 238.375 1.387 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1CC=CC1)C1CC1 ZINC000724198196 711568917 /nfs/dbraw/zinc/56/89/17/711568917.db2.gz MCXRSGDQGHUYDT-AWEZNQCLSA-N 2 1 238.375 1.387 20 0 BDADMP CCCCC1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000934202998 711575017 /nfs/dbraw/zinc/57/50/17/711575017.db2.gz MLYSTFKDFUMWLG-CYBMUJFWSA-N 2 1 240.391 1.754 20 0 BDADMP CCCCC1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000934202998 711575020 /nfs/dbraw/zinc/57/50/20/711575020.db2.gz MLYSTFKDFUMWLG-CYBMUJFWSA-N 2 1 240.391 1.754 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000719626574 711672857 /nfs/dbraw/zinc/67/28/57/711672857.db2.gz SYJBJGCSCNDBAG-YPMHNXCESA-N 2 1 225.380 1.153 20 0 BDADMP CSC(C)(C)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000385283632 711687270 /nfs/dbraw/zinc/68/72/70/711687270.db2.gz HBKNSITXQBKCBV-PHIMTYICSA-N 2 1 228.405 1.669 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396712762 711703317 /nfs/dbraw/zinc/70/33/17/711703317.db2.gz RRTSVNZABPCEEH-SRVKXCTJSA-N 2 1 214.353 1.268 20 0 BDADMP C([C@@H]1CCSC1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257640201 711720771 /nfs/dbraw/zinc/72/07/71/711720771.db2.gz APNDVFLSEQSNLE-RYUDHWBXSA-N 2 1 226.389 1.567 20 0 BDADMP C([C@@H]1CCSC1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257640201 711720773 /nfs/dbraw/zinc/72/07/73/711720773.db2.gz APNDVFLSEQSNLE-RYUDHWBXSA-N 2 1 226.389 1.567 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@H]1[NH3+] ZINC000313544724 711727420 /nfs/dbraw/zinc/72/74/20/711727420.db2.gz BPHLACHCHZATFF-NWANDNLSSA-N 2 1 248.370 1.779 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580875 711770374 /nfs/dbraw/zinc/77/03/74/711770374.db2.gz VGYDEOXNBWNGFS-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580875 711770376 /nfs/dbraw/zinc/77/03/76/711770376.db2.gz VGYDEOXNBWNGFS-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580875 711770378 /nfs/dbraw/zinc/77/03/78/711770378.db2.gz VGYDEOXNBWNGFS-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580875 711770379 /nfs/dbraw/zinc/77/03/79/711770379.db2.gz VGYDEOXNBWNGFS-RFQIPJPRSA-N 2 1 238.375 1.437 20 0 BDADMP CCn1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000160068663 711805437 /nfs/dbraw/zinc/80/54/37/711805437.db2.gz JHDRJJPECPUZNH-NSHDSACASA-N 2 1 222.336 1.074 20 0 BDADMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000229067855 711837299 /nfs/dbraw/zinc/83/72/99/711837299.db2.gz QVGSNOOTPYDJEA-PWSUYJOCSA-N 2 1 236.363 1.145 20 0 BDADMP C([NH2+][C@H]1CCCSC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000061588237 711839035 /nfs/dbraw/zinc/83/90/35/711839035.db2.gz BQIMJNZPEDGVED-NEPJUHHUSA-N 2 1 240.416 1.956 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925473659 711878821 /nfs/dbraw/zinc/87/88/21/711878821.db2.gz NWXRYPJMMRHPPA-CHWSQXEVSA-N 3 1 248.374 1.441 20 0 BDADMP CCOCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000083550339 711916578 /nfs/dbraw/zinc/91/65/78/711916578.db2.gz ZZHASYVYRDWHCR-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000721926310 711938057 /nfs/dbraw/zinc/93/80/57/711938057.db2.gz DGECNCJRGPPJRW-VEFJFZMTSA-N 2 1 238.375 1.626 20 0 BDADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000700055013 711985184 /nfs/dbraw/zinc/98/51/84/711985184.db2.gz BRNXDWLOAKLSPQ-LBPRGKRZSA-N 2 1 249.358 1.522 20 0 BDADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000700055013 711985186 /nfs/dbraw/zinc/98/51/86/711985186.db2.gz BRNXDWLOAKLSPQ-LBPRGKRZSA-N 2 1 249.358 1.522 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000700273230 711988870 /nfs/dbraw/zinc/98/88/70/711988870.db2.gz KYXPWPSZBYFEAC-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000700273230 711988873 /nfs/dbraw/zinc/98/88/73/711988873.db2.gz KYXPWPSZBYFEAC-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000700273234 711989360 /nfs/dbraw/zinc/98/93/60/711989360.db2.gz KYXPWPSZBYFEAC-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000700273234 711989361 /nfs/dbraw/zinc/98/93/61/711989361.db2.gz KYXPWPSZBYFEAC-MELADBBJSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405968 711991976 /nfs/dbraw/zinc/99/19/76/711991976.db2.gz UOCVIOKPQWZAEK-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1CO ZINC000700402179 711992563 /nfs/dbraw/zinc/99/25/63/711992563.db2.gz ZCWDKRMJIICULP-TZMCWYRMSA-N 2 1 240.391 1.279 20 0 BDADMP C[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700809700 712006935 /nfs/dbraw/zinc/00/69/35/712006935.db2.gz RPTXOZKLEDBXLQ-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000700819906 712007648 /nfs/dbraw/zinc/00/76/48/712007648.db2.gz VZDMRZJXJLUGKI-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702096622 712038855 /nfs/dbraw/zinc/03/88/55/712038855.db2.gz AIQWGNIUPIMIRE-UONOGXRCSA-N 2 1 240.391 1.590 20 0 BDADMP C[N@H+]1C[C@@H]2CN(CC[NH2+]C(C)(C)C)C[C@]2(C)C1 ZINC000702319524 712044128 /nfs/dbraw/zinc/04/41/28/712044128.db2.gz SMSLBZWLZCBUMH-OCCSQVGLSA-N 2 1 239.407 1.258 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CC1(C)C)C1CC1 ZINC000702340114 712047767 /nfs/dbraw/zinc/04/77/67/712047767.db2.gz UZSDAZMYSYQZAT-JSGCOSHPSA-N 2 1 240.391 1.467 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]1(C)CC1(C)C)C1CC1 ZINC000702340114 712047769 /nfs/dbraw/zinc/04/77/69/712047769.db2.gz UZSDAZMYSYQZAT-JSGCOSHPSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000703603709 712082258 /nfs/dbraw/zinc/08/22/58/712082258.db2.gz FLWAUWVMWVNPBE-QCXCNERSSA-N 2 1 226.364 1.410 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)OCC ZINC000705378593 712129741 /nfs/dbraw/zinc/12/97/41/712129741.db2.gz YDINLRSEDSYQPO-XQQFMLRXSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000706419301 712145780 /nfs/dbraw/zinc/14/57/80/712145780.db2.gz ZKOXBZDFIWACGX-YIZRAAEISA-N 2 1 206.280 1.842 20 0 BDADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000706419301 712145783 /nfs/dbraw/zinc/14/57/83/712145783.db2.gz ZKOXBZDFIWACGX-YIZRAAEISA-N 2 1 206.280 1.842 20 0 BDADMP CCOC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000707515438 712171815 /nfs/dbraw/zinc/17/18/15/712171815.db2.gz ZUXUZTVGVCEINZ-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000707632867 712175892 /nfs/dbraw/zinc/17/58/92/712175892.db2.gz CCDKOWLBXVGUJH-KGLIPLIRSA-N 2 1 238.375 1.489 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000707663802 712176476 /nfs/dbraw/zinc/17/64/76/712176476.db2.gz XFWDMJCMWZDGDM-ZDUSSCGKSA-N 2 1 226.364 1.618 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)[C@@H]1C[NH3+] ZINC000708321843 712186222 /nfs/dbraw/zinc/18/62/22/712186222.db2.gz AQNIBZMNBJAWJR-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)[C@@H]1C[NH3+] ZINC000708321843 712186224 /nfs/dbraw/zinc/18/62/24/712186224.db2.gz AQNIBZMNBJAWJR-FRRDWIJNSA-N 2 1 240.391 1.861 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000708390163 712192023 /nfs/dbraw/zinc/19/20/23/712192023.db2.gz QOMQXTGLBKHLGW-NNYUYHANSA-N 2 1 212.337 1.223 20 0 BDADMP Cc1nc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)[nH]c1C ZINC000709063779 712207072 /nfs/dbraw/zinc/20/70/72/712207072.db2.gz GCXBJWPEYHOPAP-OLZOCXBDSA-N 2 1 248.374 1.410 20 0 BDADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681286 712215165 /nfs/dbraw/zinc/21/51/65/712215165.db2.gz BBOUTSAKQSOYBG-NWDGAFQWSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681286 712215166 /nfs/dbraw/zinc/21/51/66/712215166.db2.gz BBOUTSAKQSOYBG-NWDGAFQWSA-N 2 1 240.391 1.874 20 0 BDADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cccnc1)C2 ZINC000709835652 712229408 /nfs/dbraw/zinc/22/94/08/712229408.db2.gz JOFHPMDEXWPECA-MJBXVCDLSA-N 2 1 231.343 1.436 20 0 BDADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccccc1)C2 ZINC000709851719 712229775 /nfs/dbraw/zinc/22/97/75/712229775.db2.gz DTOFRJOZYHWFSU-IHRRRGAJSA-N 2 1 246.354 1.877 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCCn1ccnc1 ZINC000710715130 712255463 /nfs/dbraw/zinc/25/54/63/712255463.db2.gz YYMSVNMHJHTZIH-UHFFFAOYSA-N 2 1 238.379 1.724 20 0 BDADMP Cc1noc(C[N@H+](C)CCCCCC[NH3+])n1 ZINC000710749924 712256639 /nfs/dbraw/zinc/25/66/39/712256639.db2.gz KUOUMSBQRIUTQB-UHFFFAOYSA-N 2 1 226.324 1.329 20 0 BDADMP Cc1noc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000710749924 712256640 /nfs/dbraw/zinc/25/66/40/712256640.db2.gz KUOUMSBQRIUTQB-UHFFFAOYSA-N 2 1 226.324 1.329 20 0 BDADMP CC[C@@]1(O)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000710639371 712264478 /nfs/dbraw/zinc/26/44/78/712264478.db2.gz DLAKGOBLHJZAOZ-CQSZACIVSA-N 2 1 240.391 1.565 20 0 BDADMP COC1(OC)CC[C@@H]1[NH2+][C@@H](C)CC[NH+](C)C ZINC000710962951 712268816 /nfs/dbraw/zinc/26/88/16/712268816.db2.gz SRBNHCCZKLCQHK-QWRGUYRKSA-N 2 1 230.352 1.068 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711090269 712279635 /nfs/dbraw/zinc/27/96/35/712279635.db2.gz MQSAZQGDPKHXDH-MROQNXINSA-N 2 1 226.364 1.077 20 0 BDADMP FC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000711451356 712302413 /nfs/dbraw/zinc/30/24/13/712302413.db2.gz CNQGBRWEIYJIPB-QWRGUYRKSA-N 2 1 200.301 1.277 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](CF)C2)C1 ZINC000711444300 712300597 /nfs/dbraw/zinc/30/05/97/712300597.db2.gz QHTBYEHNWGZHBR-QJPTWQEYSA-N 2 1 214.328 1.795 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CF)C2)C1 ZINC000711457488 712304877 /nfs/dbraw/zinc/30/48/77/712304877.db2.gz VQFBPCXKTKMEJH-GARJFASQSA-N 2 1 200.301 1.405 20 0 BDADMP C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000711538860 712309780 /nfs/dbraw/zinc/30/97/80/712309780.db2.gz ZGVMLOMGGHLNAT-UTUOFQBUSA-N 2 1 226.389 1.281 20 0 BDADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711532707 712310022 /nfs/dbraw/zinc/31/00/22/712310022.db2.gz FURCSTSUMCKTPR-RWMBFGLXSA-N 2 1 240.416 1.671 20 0 BDADMP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923435142 712322289 /nfs/dbraw/zinc/32/22/89/712322289.db2.gz DRELJIDAVBFNOJ-RVMXOQNASA-N 2 1 225.380 1.057 20 0 BDADMP C[C@H]([NH3+])C1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000711809071 712329440 /nfs/dbraw/zinc/32/94/40/712329440.db2.gz XILYWDUTPXXTNW-NSHDSACASA-N 2 1 248.374 1.777 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000711808698 712329628 /nfs/dbraw/zinc/32/96/28/712329628.db2.gz SLTIUURWXJFQGY-LBPRGKRZSA-N 2 1 248.374 1.779 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000923479005 712334252 /nfs/dbraw/zinc/33/42/52/712334252.db2.gz LHOKYHCRADDGEW-JTQLQIEISA-N 2 1 235.331 1.723 20 0 BDADMP CC1([NH2+]C[C@@H]([NH3+])CC(F)F)CCCC1 ZINC000379507006 712386778 /nfs/dbraw/zinc/38/67/78/712386778.db2.gz RJHOGHFSBMUKBJ-QMMMGPOBSA-N 2 1 206.280 1.891 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CCC2(CCC2)O1 ZINC000712436673 712429723 /nfs/dbraw/zinc/42/97/23/712429723.db2.gz GLYXRWZMWXQNDD-LLVKDONJSA-N 2 1 212.337 1.369 20 0 BDADMP C[N@H+]1CCN(C[C@@H]([NH3+])CC(F)F)CCC1(C)C ZINC000712670567 712440241 /nfs/dbraw/zinc/44/02/41/712440241.db2.gz LCYSBGAYLNNEEL-JTQLQIEISA-N 2 1 249.349 1.385 20 0 BDADMP CCSCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713176495 712453161 /nfs/dbraw/zinc/45/31/61/712453161.db2.gz PFGMQLRVCZDIBU-UHFFFAOYSA-N 2 1 228.405 1.958 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[NH2+]CCC23CCC3)O1 ZINC000713209540 712455169 /nfs/dbraw/zinc/45/51/69/712455169.db2.gz CIKWYQYNKAOPDM-OLZOCXBDSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H](C[NH3+])[N@H+](C)CCCOC(F)(F)F ZINC000713392449 712459150 /nfs/dbraw/zinc/45/91/50/712459150.db2.gz FSOKBGNCVBNOKY-ZETCQYMHSA-N 2 1 214.231 1.192 20 0 BDADMP C[C@@H](C[NH3+])[N@@H+](C)CCCOC(F)(F)F ZINC000713392449 712459151 /nfs/dbraw/zinc/45/91/51/712459151.db2.gz FSOKBGNCVBNOKY-ZETCQYMHSA-N 2 1 214.231 1.192 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000714444212 712489135 /nfs/dbraw/zinc/48/91/35/712489135.db2.gz RWACTOFEIOCEDQ-IGQOVBAYSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC[C@@H]1[NH3+] ZINC000715479653 712520806 /nfs/dbraw/zinc/52/08/06/712520806.db2.gz HWNYQVHBMHWCHG-VZZFWQQMSA-N 2 1 238.375 1.613 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](CCSC(F)(F)F)C1 ZINC000123492266 712693800 /nfs/dbraw/zinc/69/38/00/712693800.db2.gz QRHRZVZNTYXKLS-QMMMGPOBSA-N 2 1 242.310 1.910 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](CCSC(F)(F)F)C1 ZINC000123492266 712693801 /nfs/dbraw/zinc/69/38/01/712693801.db2.gz QRHRZVZNTYXKLS-QMMMGPOBSA-N 2 1 242.310 1.910 20 0 BDADMP Cc1[nH+]ccc(N[C@H]2CC[N@@H+](C)[C@H]2C)c1Cl ZINC000719569209 712810257 /nfs/dbraw/zinc/81/02/57/712810257.db2.gz HQHNCXFHXVLFCG-UWVGGRQHSA-N 2 1 239.750 1.970 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1C ZINC000719611174 712816787 /nfs/dbraw/zinc/81/67/87/712816787.db2.gz DTGJHFIEKIQCIM-AAVRWANBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1C ZINC000719611174 712816789 /nfs/dbraw/zinc/81/67/89/712816789.db2.gz DTGJHFIEKIQCIM-AAVRWANBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1C ZINC000719611174 712816791 /nfs/dbraw/zinc/81/67/91/712816791.db2.gz DTGJHFIEKIQCIM-AAVRWANBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1C ZINC000719611174 712816792 /nfs/dbraw/zinc/81/67/92/712816792.db2.gz DTGJHFIEKIQCIM-AAVRWANBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1C ZINC000719611174 712816793 /nfs/dbraw/zinc/81/67/93/712816793.db2.gz DTGJHFIEKIQCIM-AAVRWANBSA-N 2 1 237.391 1.295 20 0 BDADMP C[C@@H](O)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719824182 712824155 /nfs/dbraw/zinc/82/41/55/712824155.db2.gz ZXMURKDOCKXGSE-RFLLOBDJSA-N 2 1 238.375 1.220 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1ccns1 ZINC000719846462 712826088 /nfs/dbraw/zinc/82/60/88/712826088.db2.gz PURVMFSMVDEQED-GFCCVEGCSA-N 2 1 241.404 1.991 20 0 BDADMP CC(C)[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720161322 712828826 /nfs/dbraw/zinc/82/88/26/712828826.db2.gz CYTPMFVYSWBWGT-CHWSQXEVSA-N 2 1 240.391 1.779 20 0 BDADMP Cc1conc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000720373954 712836582 /nfs/dbraw/zinc/83/65/82/712836582.db2.gz NSDCRNPIWNSBDI-QJPTWQEYSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1conc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000720373954 712836583 /nfs/dbraw/zinc/83/65/83/712836583.db2.gz NSDCRNPIWNSBDI-QJPTWQEYSA-N 2 1 235.331 1.542 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[C@@H]1[NH3+] ZINC000720848201 712870460 /nfs/dbraw/zinc/87/04/60/712870460.db2.gz UDVVYUYHFYZERJ-IKOXMDCHSA-N 2 1 238.375 1.613 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720868924 712871890 /nfs/dbraw/zinc/87/18/90/712871890.db2.gz HTPKYNMZRZWLME-CRWXNKLISA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CC2)C[C@H]1C(F)(F)F ZINC000720872094 712872128 /nfs/dbraw/zinc/87/21/28/712872128.db2.gz OCGDHNWCJSYAQE-DTWKUNHWSA-N 2 1 222.254 1.465 20 0 BDADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cccc(N)c1 ZINC000720890903 712874411 /nfs/dbraw/zinc/87/44/11/712874411.db2.gz OREBCOOLJNCQKZ-LSDHHAIUSA-N 2 1 245.370 1.937 20 0 BDADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000720886668 712874515 /nfs/dbraw/zinc/87/45/15/712874515.db2.gz CNBMIMCWXWIJTN-KBPBESRZSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1[nH+]ccn1CCCN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720937878 712880550 /nfs/dbraw/zinc/88/05/50/712880550.db2.gz STTWOIPSFAOWDI-KBPBESRZSA-N 2 1 248.374 1.408 20 0 BDADMP CCOC(C)(C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209077678 957310918 /nfs/dbraw/zinc/31/09/18/957310918.db2.gz NSFLNJVIPSWHBC-TXEJJXNPSA-N 2 1 226.364 1.295 20 0 BDADMP CCOC(C)(C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001209077678 957310928 /nfs/dbraw/zinc/31/09/28/957310928.db2.gz NSFLNJVIPSWHBC-TXEJJXNPSA-N 2 1 226.364 1.295 20 0 BDADMP CCOC(C)(C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001209077678 957310937 /nfs/dbraw/zinc/31/09/37/957310937.db2.gz NSFLNJVIPSWHBC-TXEJJXNPSA-N 2 1 226.364 1.295 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209422865 957436874 /nfs/dbraw/zinc/43/68/74/957436874.db2.gz YZQJJEVCIAJYBL-QWRGUYRKSA-N 2 1 205.305 1.397 20 0 BDADMP C[C@H]1C[C@H]1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209422865 957436888 /nfs/dbraw/zinc/43/68/88/957436888.db2.gz YZQJJEVCIAJYBL-QWRGUYRKSA-N 2 1 205.305 1.397 20 0 BDADMP CC[NH+](CC)C1CCN(c2[nH+]cccc2N)CC1 ZINC000384469799 722001477 /nfs/dbraw/zinc/00/14/77/722001477.db2.gz MKOVSRZDIJVKLN-UHFFFAOYSA-N 2 1 248.374 1.974 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724826616 959799809 /nfs/dbraw/zinc/79/98/09/959799809.db2.gz YBDPNDGXXKDWEA-STQMWFEESA-N 2 1 224.348 1.097 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccncc2)C1 ZINC000309439860 959875865 /nfs/dbraw/zinc/87/58/65/959875865.db2.gz ZEJBHVYWQXZSLQ-ZDUSSCGKSA-N 2 1 219.332 1.642 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000710408531 962382717 /nfs/dbraw/zinc/38/27/17/962382717.db2.gz FEKHPZJSEBVIAY-JHJVBQTASA-N 3 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC[NH2+]1 ZINC000710408531 962382736 /nfs/dbraw/zinc/38/27/36/962382736.db2.gz FEKHPZJSEBVIAY-JHJVBQTASA-N 3 1 225.380 1.201 20 0 BDADMP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712818206 962984721 /nfs/dbraw/zinc/98/47/21/962984721.db2.gz RDVKWGSQOMPYNJ-NWDGAFQWSA-N 2 1 240.347 1.095 20 0 BDADMP Nc1ccc[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC001158629258 963898894 /nfs/dbraw/zinc/89/88/94/963898894.db2.gz UWEGZTZLFAZECG-SECBINFHSA-N 2 1 206.293 1.218 20 0 BDADMP CC[NH+](CC)CCO[C@@H]1CCC[N@@H+](CC)C1 ZINC001224928866 965103791 /nfs/dbraw/zinc/10/37/91/965103791.db2.gz XGWSOWJKLZQNED-CYBMUJFWSA-N 2 1 228.380 1.829 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000699532175 965941774 /nfs/dbraw/zinc/94/17/74/965941774.db2.gz KYJRUOVWQXZHEH-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)O1 ZINC001204847717 967197214 /nfs/dbraw/zinc/19/72/14/967197214.db2.gz FAELFHHATKINRC-TUAOUCFPSA-N 2 1 224.348 1.443 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3CCC[C@@H]3C2)O1 ZINC001204847717 967197226 /nfs/dbraw/zinc/19/72/26/967197226.db2.gz FAELFHHATKINRC-TUAOUCFPSA-N 2 1 224.348 1.443 20 0 BDADMP CNc1ncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205117833 967366504 /nfs/dbraw/zinc/36/65/04/967366504.db2.gz WSLZBPCYMMPIDQ-SECBINFHSA-N 2 1 240.376 1.498 20 0 BDADMP CNc1ncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205117833 967366515 /nfs/dbraw/zinc/36/65/15/967366515.db2.gz WSLZBPCYMMPIDQ-SECBINFHSA-N 2 1 240.376 1.498 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001205255530 967444017 /nfs/dbraw/zinc/44/40/17/967444017.db2.gz JYDSDLQNJUVLAH-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2cnco2)CC[C@@H]1C[NH3+] ZINC001205627608 967733506 /nfs/dbraw/zinc/73/35/06/967733506.db2.gz RDLHOQYTZBBGRH-WDEREUQCSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCCCCC[NH3+])C1 ZINC001205807040 967831109 /nfs/dbraw/zinc/83/11/09/967831109.db2.gz XLTLPOXJUAYAIX-CHWSQXEVSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])N(CCCCCC[NH3+])C1 ZINC001205807040 967831116 /nfs/dbraw/zinc/83/11/16/967831116.db2.gz XLTLPOXJUAYAIX-CHWSQXEVSA-N 2 1 227.396 1.565 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCC[C@@H]1C[NH3+] ZINC001205984995 967934590 /nfs/dbraw/zinc/93/45/90/967934590.db2.gz URFOHJMVQLZXGF-UPJWGTAASA-N 2 1 226.364 1.472 20 0 BDADMP COC1CC(C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001206256452 968175510 /nfs/dbraw/zinc/17/55/10/968175510.db2.gz VQBJMHHAJBZNGU-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP COC1CC(C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001206256452 968175519 /nfs/dbraw/zinc/17/55/19/968175519.db2.gz VQBJMHHAJBZNGU-UHFFFAOYSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+](C)CCCO[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001206302163 968211444 /nfs/dbraw/zinc/21/14/44/968211444.db2.gz FDVXYXXLJZNEAV-BTTYYORXSA-N 2 1 240.391 1.685 20 0 BDADMP CCCC[C@@H](CC)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206507053 968347545 /nfs/dbraw/zinc/34/75/45/968347545.db2.gz YPHOMGXKAWJBQP-AGIUHOORSA-N 2 1 228.380 1.454 20 0 BDADMP C[N@H+]1CCC[C@@H](OCC[NH+]2CCCCC2)CC1 ZINC001206701341 968437000 /nfs/dbraw/zinc/43/70/00/968437000.db2.gz WEVBOPTZPGFOFS-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2CC(C)(C)C[NH+](C)C ZINC001207284159 968715052 /nfs/dbraw/zinc/71/50/52/968715052.db2.gz KRKBYOYMIRAXHT-STQMWFEESA-N 2 1 239.407 1.353 20 0 BDADMP CC(C)[C@@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399044 968749472 /nfs/dbraw/zinc/74/94/72/968749472.db2.gz WTPJXKYGWPBWCG-AWEZNQCLSA-N 2 1 240.391 1.685 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207399045 968751998 /nfs/dbraw/zinc/75/19/98/968751998.db2.gz WTPJXKYGWPBWCG-CQSZACIVSA-N 2 1 240.391 1.685 20 0 BDADMP C[N@@H+](CCC1CC[NH+](C)CC1)CC1(C)COC1 ZINC001207483109 968799170 /nfs/dbraw/zinc/79/91/70/968799170.db2.gz DEOVJAGKDDPFQG-UHFFFAOYSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CC[C@]23CCOC3)CC1 ZINC001207488951 968802429 /nfs/dbraw/zinc/80/24/29/968802429.db2.gz TZJOWWTZQAUVOX-CQSZACIVSA-N 2 1 238.375 1.583 20 0 BDADMP COC[C@H](C)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001207691262 968861852 /nfs/dbraw/zinc/86/18/52/968861852.db2.gz CZNVCFBVHKBOKL-UPJWGTAASA-N 2 1 226.364 1.152 20 0 BDADMP COC[C@H](C)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001207691262 968861856 /nfs/dbraw/zinc/86/18/56/968861856.db2.gz CZNVCFBVHKBOKL-UPJWGTAASA-N 2 1 226.364 1.152 20 0 BDADMP COC[C@H](C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001207691262 968861859 /nfs/dbraw/zinc/86/18/59/968861859.db2.gz CZNVCFBVHKBOKL-UPJWGTAASA-N 2 1 226.364 1.152 20 0 BDADMP CC[N@H+](CCC[NH+](C)C)C[C@@H]1CCCCO1 ZINC001207961754 968961076 /nfs/dbraw/zinc/96/10/76/968961076.db2.gz ATVSPPXEKRNHTI-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCCO1 ZINC001207961754 968961082 /nfs/dbraw/zinc/96/10/82/968961082.db2.gz ATVSPPXEKRNHTI-ZDUSSCGKSA-N 2 1 228.380 1.829 20 0 BDADMP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H](C)CC12CC2 ZINC001253194128 969107041 /nfs/dbraw/zinc/10/70/41/969107041.db2.gz JMCLDAHWNYUONE-OLZOCXBDSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H](F)[C@@H](OC)C2)CC1 ZINC001208592018 969146132 /nfs/dbraw/zinc/14/61/32/969146132.db2.gz AVMFRFQVPHLXBC-STQMWFEESA-N 2 1 244.354 1.387 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001208597072 969146194 /nfs/dbraw/zinc/14/61/94/969146194.db2.gz BSOFBYNSILCIJT-GXTWGEPZSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@H](F)C2)CC1 ZINC001208593133 969150132 /nfs/dbraw/zinc/15/01/32/969150132.db2.gz OBPIDKWRJHOLJF-LBPRGKRZSA-N 2 1 214.328 1.762 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001208597474 969150851 /nfs/dbraw/zinc/15/08/51/969150851.db2.gz HXXNPHVVNSLMTD-STQMWFEESA-N 2 1 224.348 1.191 20 0 BDADMP CCOC(=O)C[N@H+](C)CC1CC[NH+](CC)CC1 ZINC001208596778 969151680 /nfs/dbraw/zinc/15/16/80/969151680.db2.gz ZEBHIOIDKAWGEG-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CCOC(=O)C[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001208596778 969151681 /nfs/dbraw/zinc/15/16/81/969151681.db2.gz ZEBHIOIDKAWGEG-UHFFFAOYSA-N 2 1 242.363 1.213 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@H]2COC)CC1 ZINC001208593512 969152947 /nfs/dbraw/zinc/15/29/47/969152947.db2.gz VHWIESKWOFMXJO-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCOC3(CC3)C2)CC1 ZINC001208602792 969155677 /nfs/dbraw/zinc/15/56/77/969155677.db2.gz NEHCOXGARVWLRW-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3OCC[C@H]32)C1 ZINC001208607602 969161957 /nfs/dbraw/zinc/16/19/57/969161957.db2.gz LQRFSUACTKULFN-YNEHKIRRSA-N 2 1 224.348 1.191 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3OCC[C@H]32)C1 ZINC001208607602 969161966 /nfs/dbraw/zinc/16/19/66/969161966.db2.gz LQRFSUACTKULFN-YNEHKIRRSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3OCC[C@H]32)C1 ZINC001208607602 969161975 /nfs/dbraw/zinc/16/19/75/969161975.db2.gz LQRFSUACTKULFN-YNEHKIRRSA-N 2 1 224.348 1.191 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3OCC[C@H]32)C1 ZINC001208607602 969161983 /nfs/dbraw/zinc/16/19/83/969161983.db2.gz LQRFSUACTKULFN-YNEHKIRRSA-N 2 1 224.348 1.191 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169079136 969397292 /nfs/dbraw/zinc/39/72/92/969397292.db2.gz JBVYLZGLLCQPLO-FQUUOJAGSA-N 2 1 240.391 1.872 20 0 BDADMP C[C@@H](CO)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109457 969448953 /nfs/dbraw/zinc/44/89/53/969448953.db2.gz IRSHXANFIFOKOE-FVCCEPFGSA-N 2 1 226.364 1.220 20 0 BDADMP CCN1CCC([N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001169246669 969536442 /nfs/dbraw/zinc/53/64/42/969536442.db2.gz UFSVQUCRBWJHHF-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001169246669 969536446 /nfs/dbraw/zinc/53/64/46/969536446.db2.gz UFSVQUCRBWJHHF-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP CCOC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254499807 969656769 /nfs/dbraw/zinc/65/67/69/969656769.db2.gz AXHIQCHAJBZYFB-RYUDHWBXSA-N 2 1 242.363 1.402 20 0 BDADMP COCC[N@@H+](C(C)C)[C@@H]1CCC[NH+](C)CC1 ZINC001254524242 969707817 /nfs/dbraw/zinc/70/78/17/969707817.db2.gz VKQQGLZKWCSMCN-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP COCC[NH+](C(C)C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524242 969707824 /nfs/dbraw/zinc/70/78/24/969707824.db2.gz VKQQGLZKWCSMCN-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP COCC[NH+](C(C)C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524242 969707829 /nfs/dbraw/zinc/70/78/29/969707829.db2.gz VKQQGLZKWCSMCN-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP CN([C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254522586 969704408 /nfs/dbraw/zinc/70/44/08/969704408.db2.gz HLAMNBCSPUGKEG-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522586 969704415 /nfs/dbraw/zinc/70/44/15/969704415.db2.gz HLAMNBCSPUGKEG-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP CN([C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522586 969704422 /nfs/dbraw/zinc/70/44/22/969704422.db2.gz HLAMNBCSPUGKEG-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2CF)CC1 ZINC001254530813 969725037 /nfs/dbraw/zinc/72/50/37/969725037.db2.gz BUFWPDCRDRUVNQ-VXGBXAGGSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H]2CF)CC1 ZINC001254530813 969725042 /nfs/dbraw/zinc/72/50/42/969725042.db2.gz BUFWPDCRDRUVNQ-VXGBXAGGSA-N 2 1 214.328 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H]2CF)CC1 ZINC001254530813 969725047 /nfs/dbraw/zinc/72/50/47/969725047.db2.gz BUFWPDCRDRUVNQ-VXGBXAGGSA-N 2 1 214.328 1.905 20 0 BDADMP CO[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254525800 969723000 /nfs/dbraw/zinc/72/30/00/969723000.db2.gz MFLLZWVNNKMTPC-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254525800 969723014 /nfs/dbraw/zinc/72/30/14/969723014.db2.gz MFLLZWVNNKMTPC-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254525800 969723021 /nfs/dbraw/zinc/72/30/21/969723021.db2.gz MFLLZWVNNKMTPC-ZIAGYGMSSA-N 2 1 240.391 1.972 20 0 BDADMP CC1(C)C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1[NH3+] ZINC000690393441 970034170 /nfs/dbraw/zinc/03/41/70/970034170.db2.gz YVGKRAGYQRZWBB-MNOVXSKESA-N 2 1 212.337 1.082 20 0 BDADMP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001255337112 970120803 /nfs/dbraw/zinc/12/08/03/970120803.db2.gz AEWPWFUJNRHGOT-QWRGUYRKSA-N 2 1 242.363 1.435 20 0 BDADMP CCCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)C1 ZINC001255412139 970132506 /nfs/dbraw/zinc/13/25/06/970132506.db2.gz LLCPZINSDLWQCX-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400134197 970555540 /nfs/dbraw/zinc/55/55/40/970555540.db2.gz WNNQSYDYQQUPCO-IFWUJCSASA-N 2 1 208.349 1.846 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400134197 970555551 /nfs/dbraw/zinc/55/55/51/970555551.db2.gz WNNQSYDYQQUPCO-IFWUJCSASA-N 2 1 208.349 1.846 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCC[N@@H+](C)C1 ZINC001255944600 970575981 /nfs/dbraw/zinc/57/59/81/970575981.db2.gz WCZOMSHZADHLST-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC001255944600 970575986 /nfs/dbraw/zinc/57/59/86/970575986.db2.gz WCZOMSHZADHLST-ZIAGYGMSSA-N 2 1 241.423 1.791 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1F ZINC001255947968 970584032 /nfs/dbraw/zinc/58/40/32/970584032.db2.gz ZSCUWKXKTCBIPK-RWMBFGLXSA-N 2 1 246.370 1.823 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](CO)C1 ZINC001255954783 970589438 /nfs/dbraw/zinc/58/94/38/970589438.db2.gz HZIWPJQBRBHNGM-KGLIPLIRSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001255955569 970588987 /nfs/dbraw/zinc/58/89/87/970588987.db2.gz BTLCRPHLEGCEBO-RDBSUJKOSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](O)CC1 ZINC001255956033 970598442 /nfs/dbraw/zinc/59/84/42/970598442.db2.gz GBFKHZTWRLHYJE-ZIAGYGMSSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH+]1CCC([N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001256203278 970707327 /nfs/dbraw/zinc/70/73/27/970707327.db2.gz UUAQHLATROILQG-ZDUSSCGKSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC([N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001256203278 970707330 /nfs/dbraw/zinc/70/73/30/970707330.db2.gz UUAQHLATROILQG-ZDUSSCGKSA-N 2 1 224.348 1.193 20 0 BDADMP CC[N@H+]1CC[C@H](N(CCC[NH3+])C(C)C)C1 ZINC001173350624 975294150 /nfs/dbraw/zinc/29/41/50/975294150.db2.gz QYQLRHZDKDPXSC-LBPRGKRZSA-N 2 1 213.369 1.140 20 0 BDADMP CCN1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001173360665 975331539 /nfs/dbraw/zinc/33/15/39/975331539.db2.gz DLXROOCNZYLXKC-AWEZNQCLSA-N 2 1 239.407 1.354 20 0 BDADMP CCN([C@@H]1CC[N@@H+](CC)C1)C1CC[NH+](C)CC1 ZINC001173363608 975335503 /nfs/dbraw/zinc/33/55/03/975335503.db2.gz PGRAIIYWVQZBHL-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+]1CC[C@H](N2CCC3(C[NH+](C)C3)CC2)C1 ZINC001173367368 975349553 /nfs/dbraw/zinc/34/95/53/975349553.db2.gz GWIZTZAURKNSTA-ZDUSSCGKSA-N 2 1 237.391 1.108 20 0 BDADMP C[NH+](C)[C@@H]1C[C@H]([NH2+]CC2(O)CCC2)C1(C)C ZINC001335520785 977115337 /nfs/dbraw/zinc/11/53/37/977115337.db2.gz VMDVKARDINQISE-WDEREUQCSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001206295663 978299677 /nfs/dbraw/zinc/29/96/77/978299677.db2.gz MVGFZMGMTXCDMI-OLZOCXBDSA-N 2 1 226.364 1.616 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000402142637 970764335 /nfs/dbraw/zinc/76/43/35/970764335.db2.gz MKAIUZNKGIBALD-YNEHKIRRSA-N 2 1 226.364 1.533 20 0 BDADMP CC/C=C\CCCN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234983361 978944788 /nfs/dbraw/zinc/94/47/88/978944788.db2.gz YYMORHMNQVUYAT-NQHOJNORSA-N 2 1 237.391 1.370 20 0 BDADMP COCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235122720 978979808 /nfs/dbraw/zinc/97/98/08/978979808.db2.gz IIDQUBKITKDFIZ-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP COCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235122720 978979812 /nfs/dbraw/zinc/97/98/12/978979812.db2.gz IIDQUBKITKDFIZ-LBPRGKRZSA-N 2 1 212.337 1.241 20 0 BDADMP CN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236210510 979450105 /nfs/dbraw/zinc/45/01/05/979450105.db2.gz DERWOQZFCIEQQF-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP C[C@H]([NH3+])C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950133 979795797 /nfs/dbraw/zinc/79/57/97/979795797.db2.gz ZMQRZMNJWCQQIJ-LBPRGKRZSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]([NH3+])C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950132 979796746 /nfs/dbraw/zinc/79/67/46/979796746.db2.gz ZMQRZMNJWCQQIJ-GFCCVEGCSA-N 3 1 239.407 1.435 20 0 BDADMP COC(=O)[C@@H]1CCC[N@@H+](CCCC[NH3+])CC1 ZINC001237057586 979811241 /nfs/dbraw/zinc/81/12/41/979811241.db2.gz NUGWIZMRYYGOLX-LLVKDONJSA-N 2 1 228.336 1.000 20 0 BDADMP C[C@@]1(CO)CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001345159171 980569524 /nfs/dbraw/zinc/56/95/24/980569524.db2.gz CRRPWARGEOOJAP-ZIAGYGMSSA-N 2 1 240.391 1.471 20 0 BDADMP CC(C)CNC(=O)C[NH2+][C@H]1CCCCC[C@H]1N ZINC001348840938 981457518 /nfs/dbraw/zinc/45/75/18/981457518.db2.gz PCIZBAQPEKVPAB-NEPJUHHUSA-N 2 1 241.379 1.008 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+](CCCSC)C[C@@H]2C1 ZINC001201698023 983413873 /nfs/dbraw/zinc/41/38/73/983413873.db2.gz VBFKJMHPTIRFDV-TXEJJXNPSA-N 2 1 228.405 1.623 20 0 BDADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001202528725 983869575 /nfs/dbraw/zinc/86/95/75/983869575.db2.gz FDFIXGLBZWVXCR-GFCCVEGCSA-N 2 1 226.364 1.439 20 0 BDADMP C(C1CCOCC1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001202610328 984126639 /nfs/dbraw/zinc/12/66/39/984126639.db2.gz YANPOAMUQRSTKP-UHFFFAOYSA-N 2 1 238.375 1.583 20 0 BDADMP CCOCC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001172423487 974696554 /nfs/dbraw/zinc/69/65/54/974696554.db2.gz NKPVIYCMSZQJKI-LLVKDONJSA-N 2 1 225.336 1.762 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(O)C2)CC[NH2+]1 ZINC001246548270 972681717 /nfs/dbraw/zinc/68/17/17/972681717.db2.gz JYPVBDCPYCPAND-JHJVBQTASA-N 2 1 226.364 1.364 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000402579633 970804863 /nfs/dbraw/zinc/80/48/63/970804863.db2.gz BZKGTQMFYLHWNF-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccccn1 ZINC001256404137 970808803 /nfs/dbraw/zinc/80/88/03/970808803.db2.gz FIQCBENNKUYOFI-NEPJUHHUSA-N 2 1 221.348 1.539 20 0 BDADMP COCC1C[NH+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256569133 970863457 /nfs/dbraw/zinc/86/34/57/970863457.db2.gz RYOFQWRDODMOES-UHFFFAOYSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574158 970868007 /nfs/dbraw/zinc/86/80/07/970868007.db2.gz UZORNGPDDZTNMF-CYBMUJFWSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]([NH3+])c1nccn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256612438 970879123 /nfs/dbraw/zinc/87/91/23/970879123.db2.gz GGHLZEQTCVLAKE-YIBTVLSRSA-N 2 1 234.347 1.701 20 0 BDADMP CC[C@@H](C)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403216711 970892103 /nfs/dbraw/zinc/89/21/03/970892103.db2.gz GUHCHZMXIDPGAF-NXEZZACHSA-N 2 1 220.307 1.948 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCCCO2)CCC1(F)F ZINC000403280772 970901481 /nfs/dbraw/zinc/90/14/81/970901481.db2.gz NWCCWJPDTIPMFP-WDEREUQCSA-N 2 1 248.317 1.471 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCCO2)CCC1(F)F ZINC000403280772 970901485 /nfs/dbraw/zinc/90/14/85/970901485.db2.gz NWCCWJPDTIPMFP-WDEREUQCSA-N 2 1 248.317 1.471 20 0 BDADMP [NH3+][C@H]1CC[N@@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256798924 970990483 /nfs/dbraw/zinc/99/04/83/970990483.db2.gz LQUWMRVSWGOKJO-KKUMJFAQSA-N 2 1 246.354 1.940 20 0 BDADMP [NH3+][C@H]1CC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256798924 970990490 /nfs/dbraw/zinc/99/04/90/970990490.db2.gz LQUWMRVSWGOKJO-KKUMJFAQSA-N 2 1 246.354 1.940 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256848607 970999192 /nfs/dbraw/zinc/99/91/92/970999192.db2.gz CMLSEFJEHCSEAL-UHFFFAOYSA-N 3 1 248.374 1.377 20 0 BDADMP CCC1CCC([NH2+]CCC[N@@H+](C)CCO)CC1 ZINC001256870280 971004669 /nfs/dbraw/zinc/00/46/69/971004669.db2.gz SXJRWTXWSDODET-UHFFFAOYSA-N 2 1 242.407 1.859 20 0 BDADMP Cc1cc[nH+]c(C)c1NCCN(C)CC[NH3+] ZINC001170502672 971007059 /nfs/dbraw/zinc/00/70/59/971007059.db2.gz INHXANWBJRLZDI-UHFFFAOYSA-N 2 1 222.336 1.001 20 0 BDADMP [NH3+]Cc1nccn1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894220 971010250 /nfs/dbraw/zinc/01/02/50/971010250.db2.gz FVTLVOTTZODGKP-CYBMUJFWSA-N 2 1 248.374 1.921 20 0 BDADMP CC(C)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001257213835 971128541 /nfs/dbraw/zinc/12/85/41/971128541.db2.gz WEVRTCDXOCZTOE-UHFFFAOYSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001257213835 971128549 /nfs/dbraw/zinc/12/85/49/971128549.db2.gz WEVRTCDXOCZTOE-UHFFFAOYSA-N 2 1 240.391 1.970 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC001257214344 971128954 /nfs/dbraw/zinc/12/89/54/971128954.db2.gz BRYZUXBJYIHLOH-TZMCWYRMSA-N 2 1 240.391 1.562 20 0 BDADMP CC[N@H+](CCC(N)=O)C1CC[NH+](C(C)C)CC1 ZINC001257221031 971131986 /nfs/dbraw/zinc/13/19/86/971131986.db2.gz ZDNYWRAGMIQADY-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP CC[N@@H+](CCC(N)=O)C1CC[NH+](C(C)C)CC1 ZINC001257221031 971131994 /nfs/dbraw/zinc/13/19/94/971131994.db2.gz ZDNYWRAGMIQADY-UHFFFAOYSA-N 2 1 241.379 1.057 20 0 BDADMP CC(C)N1CCC([N@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001257215769 971133364 /nfs/dbraw/zinc/13/33/64/971133364.db2.gz YTEXAYMZRYYMGR-JSGCOSHPSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CCC([N@@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001257215769 971133370 /nfs/dbraw/zinc/13/33/70/971133370.db2.gz YTEXAYMZRYYMGR-JSGCOSHPSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+]1CCC([N@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001257215769 971133375 /nfs/dbraw/zinc/13/33/75/971133375.db2.gz YTEXAYMZRYYMGR-JSGCOSHPSA-N 2 1 240.391 1.704 20 0 BDADMP CO[C@@H](C)C1C[NH+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257224347 971134738 /nfs/dbraw/zinc/13/47/38/971134738.db2.gz YLDATSOFYCIYHD-LBPRGKRZSA-N 2 1 240.391 1.826 20 0 BDADMP CCC[C@@H](CC)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001257247230 971143672 /nfs/dbraw/zinc/14/36/72/971143672.db2.gz RVUBQTVKCFUCDJ-VXGBXAGGSA-N 2 1 244.379 1.825 20 0 BDADMP CCc1ccc[nH+]c1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170560856 971183608 /nfs/dbraw/zinc/18/36/08/971183608.db2.gz APSOZCQVNNIGRY-PWSUYJOCSA-N 2 1 235.331 1.433 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405242437 971219924 /nfs/dbraw/zinc/21/99/24/971219924.db2.gz WXCRCUUJACJLQT-UPJWGTAASA-N 2 1 237.391 1.188 20 0 BDADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405247288 971221108 /nfs/dbraw/zinc/22/11/08/971221108.db2.gz DGJVOYGMPNQOOX-QWHCGFSZSA-N 2 1 239.407 1.576 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cn[nH]c1 ZINC000405265751 971226294 /nfs/dbraw/zinc/22/62/94/971226294.db2.gz LQQYIOYLCUOJNX-INTQDDNPSA-N 2 1 220.320 1.330 20 0 BDADMP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000405483154 971265172 /nfs/dbraw/zinc/26/51/72/971265172.db2.gz NLNHPKNTGXLEIM-RAIGVLPGSA-N 2 1 235.375 1.083 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000405677918 971288958 /nfs/dbraw/zinc/28/89/58/971288958.db2.gz SLYLYAFTGHWYGY-GFCCVEGCSA-N 2 1 219.332 1.561 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)C1 ZINC000405694492 971294352 /nfs/dbraw/zinc/29/43/52/971294352.db2.gz XPCINSWCSVVHGF-WUHRBBMRSA-N 2 1 226.364 1.341 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000405751447 971303860 /nfs/dbraw/zinc/30/38/60/971303860.db2.gz LQCFHSFMGJXBHZ-HOSYDEDBSA-N 2 1 223.320 1.205 20 0 BDADMP CCCC[C@H](CC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001257410183 971304632 /nfs/dbraw/zinc/30/46/32/971304632.db2.gz NBHHFXHLSNYUMN-NWDGAFQWSA-N 2 1 244.379 1.825 20 0 BDADMP Cc1ccccc1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405903075 971317773 /nfs/dbraw/zinc/31/77/73/971317773.db2.gz TYWZBQAMAYUXAF-CYBMUJFWSA-N 2 1 204.317 1.918 20 0 BDADMP Cc1ccccc1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405903075 971317777 /nfs/dbraw/zinc/31/77/77/971317777.db2.gz TYWZBQAMAYUXAF-CYBMUJFWSA-N 2 1 204.317 1.918 20 0 BDADMP CC[NH+](CC)CCOCC[N@H+]1CC[C@@H](OC)C1 ZINC001224929468 974077356 /nfs/dbraw/zinc/07/73/56/974077356.db2.gz AKNVNWRCQFYNGD-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP Cn1ccc2c1nc[nH+]c2NCC[C@H]1CCC[NH2+]1 ZINC001158628339 971357368 /nfs/dbraw/zinc/35/73/68/971357368.db2.gz FSTPSVYPJNRTLA-SNVBAGLBSA-N 2 1 245.330 1.522 20 0 BDADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCCCC1 ZINC001257449483 971366450 /nfs/dbraw/zinc/36/64/50/971366450.db2.gz DDTFSJDHZVHJRJ-LBPRGKRZSA-N 2 1 242.363 1.579 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCSC3)C2)C1 ZINC001257681002 971485261 /nfs/dbraw/zinc/48/52/61/971485261.db2.gz MZGXSWZKNZZMMA-CHWSQXEVSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCSC3)C2)C1 ZINC001257681002 971485268 /nfs/dbraw/zinc/48/52/68/971485268.db2.gz MZGXSWZKNZZMMA-CHWSQXEVSA-N 2 1 240.416 1.910 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCSC3)C2)C1 ZINC001257681002 971485276 /nfs/dbraw/zinc/48/52/76/971485276.db2.gz MZGXSWZKNZZMMA-CHWSQXEVSA-N 2 1 240.416 1.910 20 0 BDADMP CC(C)C[NH+]1CCC([NH+]2CC(CO)C2)CC1 ZINC001258013995 971556614 /nfs/dbraw/zinc/55/66/14/971556614.db2.gz BQVHBBWXXGOPPS-UHFFFAOYSA-N 2 1 226.364 1.031 20 0 BDADMP COC[C@@H]1CC[N@@H+]1C1CC[NH+](CC(C)C)CC1 ZINC001258020607 971558685 /nfs/dbraw/zinc/55/86/85/971558685.db2.gz WMVGFDOCXQIACR-AWEZNQCLSA-N 2 1 240.391 1.828 20 0 BDADMP COC[C@@H]1CC[N@H+]1C1CC[NH+](CC(C)C)CC1 ZINC001258020607 971558693 /nfs/dbraw/zinc/55/86/93/971558693.db2.gz WMVGFDOCXQIACR-AWEZNQCLSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153956 974311646 /nfs/dbraw/zinc/31/16/46/974311646.db2.gz FOPHBUKNGGAGET-GWOFURMSSA-N 2 1 200.301 1.404 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153956 974311653 /nfs/dbraw/zinc/31/16/53/974311653.db2.gz FOPHBUKNGGAGET-GWOFURMSSA-N 2 1 200.301 1.404 20 0 BDADMP CC1(C)[C@@H]2C[C@H](n3c[nH+]cc3C[C@@H]([NH3+])CO)C[C@@H]21 ZINC001170724425 971656410 /nfs/dbraw/zinc/65/64/10/971656410.db2.gz JRYITJWIGVCTSL-VCDKRKBESA-N 2 1 249.358 1.352 20 0 BDADMP Nc1[nH]c2cc(O[C@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC001218285309 971678289 /nfs/dbraw/zinc/67/82/89/971678289.db2.gz JKXNNMNUMBUULG-VIFPVBQESA-N 2 1 232.287 1.276 20 0 BDADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCCOCC1 ZINC001170792821 971831526 /nfs/dbraw/zinc/83/15/26/971831526.db2.gz TXSNANOTDBPMGD-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)C(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310436311 971974412 /nfs/dbraw/zinc/97/44/12/971974412.db2.gz UPSLHCQDTMYBPT-ZDUSSCGKSA-N 2 1 242.407 1.713 20 0 BDADMP CC(C)C(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310436311 971974414 /nfs/dbraw/zinc/97/44/14/971974414.db2.gz UPSLHCQDTMYBPT-ZDUSSCGKSA-N 2 1 242.407 1.713 20 0 BDADMP Cc1cc2c[nH+]c(NCC[C@@H](C)[NH3+])nc2[nH]1 ZINC001170886774 972028465 /nfs/dbraw/zinc/02/84/65/972028465.db2.gz ICRZLZCPRRTSSO-SSDOTTSWSA-N 2 1 219.292 1.367 20 0 BDADMP CC(=O)Nc1cc[nH+]c(NCC[C@@H](C)[NH3+])c1 ZINC001170886865 972032162 /nfs/dbraw/zinc/03/21/62/972032162.db2.gz JLBDGIMDQOXJHU-MRVPVSSYSA-N 2 1 222.292 1.189 20 0 BDADMP C[C@@H]([NH3+])CCNc1nc(NCC2CC2)cc[nH+]1 ZINC001170887369 972036500 /nfs/dbraw/zinc/03/65/00/972036500.db2.gz VRNTWDFVVWVRQA-SECBINFHSA-N 2 1 235.335 1.448 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246029755 972122420 /nfs/dbraw/zinc/12/24/20/972122420.db2.gz LOPWTMNAXWLDKG-TUAOUCFPSA-N 2 1 232.343 1.299 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246106695 972168732 /nfs/dbraw/zinc/16/87/32/972168732.db2.gz DXKKBSVZILMTNH-ZBBUEOHVSA-N 3 1 237.391 1.247 20 0 BDADMP FC1(F)CC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246107446 972172527 /nfs/dbraw/zinc/17/25/27/972172527.db2.gz BEVQAOACVMBPHX-UWVGGRQHSA-N 2 1 218.291 1.763 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246108909 972172727 /nfs/dbraw/zinc/17/27/27/972172727.db2.gz IWWDLYCBEYDVQU-AGIUHOORSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c2ccccc21 ZINC001220331887 972211869 /nfs/dbraw/zinc/21/18/69/972211869.db2.gz DZIUNGHKODLZFD-TVYUQYBPSA-N 2 1 247.342 1.027 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC001246203157 972217420 /nfs/dbraw/zinc/21/74/20/972217420.db2.gz QKXGGVHFZVLPLI-WUHRBBMRSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)C[NH2+]1 ZINC001246231980 972238482 /nfs/dbraw/zinc/23/84/82/972238482.db2.gz YNEXSQLLVGUJCN-WUHRBBMRSA-N 3 1 225.380 1.234 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CCCOCC2)C1 ZINC001208603286 957083798 /nfs/dbraw/zinc/08/37/98/957083798.db2.gz ABFJGWFQJRWMJP-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCOCC2)C1 ZINC001208603286 957083808 /nfs/dbraw/zinc/08/38/08/957083808.db2.gz ABFJGWFQJRWMJP-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP C[NH+]1CCC[C@H](C[N@H+]2CCCOCC2)C1 ZINC001208603286 957083815 /nfs/dbraw/zinc/08/38/15/957083815.db2.gz ABFJGWFQJRWMJP-LBPRGKRZSA-N 2 1 212.337 1.051 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CCCOCOC)CC1 ZINC001209029447 957283314 /nfs/dbraw/zinc/28/33/14/957283314.db2.gz MKHNRBFPNFVDGF-UHFFFAOYSA-N 2 1 244.379 1.413 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CCCOCOC)CC1 ZINC001209029447 957283325 /nfs/dbraw/zinc/28/33/25/957283325.db2.gz MKHNRBFPNFVDGF-UHFFFAOYSA-N 2 1 244.379 1.413 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CO1 ZINC000396923828 957363771 /nfs/dbraw/zinc/36/37/71/957363771.db2.gz LCXZRHAJJNVGNX-RYUDHWBXSA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362755 957371825 /nfs/dbraw/zinc/37/18/25/957371825.db2.gz SWWMRKUUCVMQJG-UHFFFAOYSA-N 2 1 243.395 1.031 20 0 BDADMP CC(C)C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001266362755 957371836 /nfs/dbraw/zinc/37/18/36/957371836.db2.gz SWWMRKUUCVMQJG-UHFFFAOYSA-N 2 1 243.395 1.031 20 0 BDADMP CC(C)C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001266362755 957371851 /nfs/dbraw/zinc/37/18/51/957371851.db2.gz SWWMRKUUCVMQJG-UHFFFAOYSA-N 2 1 243.395 1.031 20 0 BDADMP Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000689442455 957822860 /nfs/dbraw/zinc/82/28/60/957822860.db2.gz AGXWRASHSTWYNQ-TZMCWYRMSA-N 2 1 233.359 1.663 20 0 BDADMP CC[C@@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)C1 ZINC001246416798 972312364 /nfs/dbraw/zinc/31/23/64/972312364.db2.gz LYAVPAXODBMWBX-WOPDTQHZSA-N 2 1 242.363 1.435 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C[C@H]1C ZINC001246455072 972322694 /nfs/dbraw/zinc/32/26/94/972322694.db2.gz WREYYBAKFBUKSE-MCIONIFRSA-N 3 1 241.423 1.729 20 0 BDADMP C[C@@H]1CC[C@@H](N[C@@]2(C)CCC[N@@H+](C)C2)C[NH2+]1 ZINC001246464690 972338605 /nfs/dbraw/zinc/33/86/05/972338605.db2.gz SNIAJACDFCIFSS-UPJWGTAASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1C[NH+](C[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000308447606 958414606 /nfs/dbraw/zinc/41/46/06/958414606.db2.gz ADDLBCOBUVYLRJ-IWSPIJDZSA-N 2 1 206.280 1.557 20 0 BDADMP C[C@H]1CC[C@H]([NH2+]CCc2cccnc2)C[NH2+]1 ZINC000398968884 958465324 /nfs/dbraw/zinc/46/53/24/958465324.db2.gz UHBLSWWGQSNXTD-AAEUAGOBSA-N 2 1 219.332 1.354 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccncc2)C[NH2+]1 ZINC000398972181 958469379 /nfs/dbraw/zinc/46/93/79/958469379.db2.gz WZJANCXGHXZWFA-DGCLKSJQSA-N 2 1 219.332 1.354 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033037 958489711 /nfs/dbraw/zinc/48/97/11/958489711.db2.gz MUZGLSWZSPBXGG-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP C[C@@H]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 ZINC000399027804 958492504 /nfs/dbraw/zinc/49/25/04/958492504.db2.gz IBQLZKHZFJXZLF-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC000399031084 958497349 /nfs/dbraw/zinc/49/73/49/958497349.db2.gz LSBJOBJPPKAVQR-WSOGJNRSSA-N 2 1 237.391 1.342 20 0 BDADMP CCCCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486147 972352959 /nfs/dbraw/zinc/35/29/59/972352959.db2.gz DEGOQWADXBZKJX-KBPBESRZSA-N 2 1 241.423 1.886 20 0 BDADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488273 972354260 /nfs/dbraw/zinc/35/42/60/972354260.db2.gz JKAZOKVKQJYOSY-LSDHHAIUSA-N 2 1 247.386 1.159 20 0 BDADMP CC[C@H](C)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222079811 972364182 /nfs/dbraw/zinc/36/41/82/972364182.db2.gz GABRNQBAKVVXHC-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000724152929 958741359 /nfs/dbraw/zinc/74/13/59/958741359.db2.gz FVQBLZKQPKAHJP-RWMBFGLXSA-N 2 1 226.364 1.485 20 0 BDADMP CCOCC[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693558447 958793765 /nfs/dbraw/zinc/79/37/65/958793765.db2.gz ZTRUZKFOBWXQKG-PHIMTYICSA-N 2 1 200.326 1.082 20 0 BDADMP C[N@@H+](Cc1cscn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693564059 958814021 /nfs/dbraw/zinc/81/40/21/958814021.db2.gz YZSALUGNCTXKGN-DTORHVGOSA-N 2 1 211.334 1.312 20 0 BDADMP C[N@H+](Cc1cscn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693564059 958814023 /nfs/dbraw/zinc/81/40/23/958814023.db2.gz YZSALUGNCTXKGN-DTORHVGOSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C2CC(F)(F)C2)CC[NH2+]1 ZINC001246523310 972384837 /nfs/dbraw/zinc/38/48/37/972384837.db2.gz AOFZQLGOEMWLRE-RKDXNWHRSA-N 2 1 218.291 1.856 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C2CC(F)(F)C2)CC[NH2+]1 ZINC001246523310 972384844 /nfs/dbraw/zinc/38/48/44/972384844.db2.gz AOFZQLGOEMWLRE-RKDXNWHRSA-N 2 1 218.291 1.856 20 0 BDADMP CCOCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172408125 974669212 /nfs/dbraw/zinc/66/92/12/974669212.db2.gz FEUXQAZDVXEZCW-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000404107020 959058595 /nfs/dbraw/zinc/05/85/95/959058595.db2.gz UOGSKHMQIPQOQP-RQJABVFESA-N 2 1 240.391 1.731 20 0 BDADMP Cc1[nH]c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)[nH+]1 ZINC000724776145 959446329 /nfs/dbraw/zinc/44/63/29/959446329.db2.gz XNXDWGHOSRIEKQ-TXEJJXNPSA-N 2 1 234.347 1.020 20 0 BDADMP Cc1[nH]c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)[nH+]1 ZINC000724776145 959446335 /nfs/dbraw/zinc/44/63/35/959446335.db2.gz XNXDWGHOSRIEKQ-TXEJJXNPSA-N 2 1 234.347 1.020 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC1(F)F ZINC000708501088 959528153 /nfs/dbraw/zinc/52/81/53/959528153.db2.gz AWODCCGLOKSNFO-QWRGUYRKSA-N 2 1 248.317 1.329 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000300029137 959813610 /nfs/dbraw/zinc/81/36/10/959813610.db2.gz LAHRMNJAYXJZCG-MRVWCRGKSA-N 2 1 240.391 1.739 20 0 BDADMP COCc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000708829778 959860223 /nfs/dbraw/zinc/86/02/23/959860223.db2.gz GPFKWYCVHUJIME-SWLSCSKDSA-N 2 1 248.370 1.860 20 0 BDADMP C[C@H]1C[N@H+](C2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000708876873 960011387 /nfs/dbraw/zinc/01/13/87/960011387.db2.gz YBFIBKKXXOYUNK-IRCOFANPSA-N 2 1 226.364 1.469 20 0 BDADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)[C@](C)(CO)C1 ZINC001207436811 960091172 /nfs/dbraw/zinc/09/11/72/960091172.db2.gz QBRPFHPUJIQSRE-AWEZNQCLSA-N 2 1 240.391 1.469 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708899972 960091718 /nfs/dbraw/zinc/09/17/18/960091718.db2.gz QKSGBUHRUIOMGJ-PIGZVRMJSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708899972 960091723 /nfs/dbraw/zinc/09/17/23/960091723.db2.gz QKSGBUHRUIOMGJ-PIGZVRMJSA-N 2 1 238.375 1.626 20 0 BDADMP CC1=C[C@@H](C)[C@H](C[NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001222461253 972493914 /nfs/dbraw/zinc/49/39/14/972493914.db2.gz PSYIZCSVVMVCPG-OLZOCXBDSA-N 2 1 220.360 1.884 20 0 BDADMP [NH3+][C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000695699158 960381152 /nfs/dbraw/zinc/38/11/52/960381152.db2.gz PXGBBJGLYRROJR-LBPRGKRZSA-N 2 1 208.349 1.990 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000695699158 960381156 /nfs/dbraw/zinc/38/11/56/960381156.db2.gz PXGBBJGLYRROJR-LBPRGKRZSA-N 2 1 208.349 1.990 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001207485190 960459924 /nfs/dbraw/zinc/45/99/24/960459924.db2.gz UDBOWYYVLDSEPB-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CNC(=O)CC[N@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803326 960587115 /nfs/dbraw/zinc/58/71/15/960587115.db2.gz OGKOOWOPZGNBQB-UHFFFAOYSA-N 2 1 246.314 1.131 20 0 BDADMP CNC(=O)CC[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140803326 960587123 /nfs/dbraw/zinc/58/71/23/960587123.db2.gz OGKOOWOPZGNBQB-UHFFFAOYSA-N 2 1 246.314 1.131 20 0 BDADMP CO[C@H]1CC[C@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000687204871 961184179 /nfs/dbraw/zinc/18/41/79/961184179.db2.gz LXWSWQIBZMTQIR-AAEUAGOBSA-N 2 1 226.364 1.628 20 0 BDADMP OCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727986 962084813 /nfs/dbraw/zinc/08/48/13/962084813.db2.gz ZOEFAFCUONPAPF-UHFFFAOYSA-N 2 1 226.364 1.225 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400045582 962190959 /nfs/dbraw/zinc/19/09/59/962190959.db2.gz RWYBTRHPKPHLQX-VHSXEESVSA-N 2 1 218.291 1.701 20 0 BDADMP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400045582 962190979 /nfs/dbraw/zinc/19/09/79/962190979.db2.gz RWYBTRHPKPHLQX-VHSXEESVSA-N 2 1 218.291 1.701 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCC3(C2)CCOCC3)CC[NH2+]1 ZINC000383104877 962209635 /nfs/dbraw/zinc/20/96/35/962209635.db2.gz CVNLSBBFGXEMPL-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711449279 962703759 /nfs/dbraw/zinc/70/37/59/962703759.db2.gz DLSZFEYMVBTTTE-QWHCGFSZSA-N 2 1 246.370 1.371 20 0 BDADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711449279 962703781 /nfs/dbraw/zinc/70/37/81/962703781.db2.gz DLSZFEYMVBTTTE-QWHCGFSZSA-N 2 1 246.370 1.371 20 0 BDADMP FC[C@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000711443577 962704380 /nfs/dbraw/zinc/70/43/80/962704380.db2.gz NAPDFNBMCUCBPN-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP FC[C@H]1CCC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000711443577 962704397 /nfs/dbraw/zinc/70/43/97/962704397.db2.gz NAPDFNBMCUCBPN-GHMZBOCLSA-N 2 1 200.301 1.420 20 0 BDADMP Cc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(C)[nH+]1 ZINC000711600707 962732744 /nfs/dbraw/zinc/73/27/44/962732744.db2.gz LLVPZLNZFMRYHJ-WCQYABFASA-N 2 1 232.331 1.790 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958069 962823538 /nfs/dbraw/zinc/82/35/38/962823538.db2.gz YBGMZLTWVMRVRJ-ZOBORPQBSA-N 2 1 220.360 1.813 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958069 962823545 /nfs/dbraw/zinc/82/35/45/962823545.db2.gz YBGMZLTWVMRVRJ-ZOBORPQBSA-N 2 1 220.360 1.813 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167958069 962823547 /nfs/dbraw/zinc/82/35/47/962823547.db2.gz YBGMZLTWVMRVRJ-ZOBORPQBSA-N 2 1 220.360 1.813 20 0 BDADMP CCc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc(C)[nH+]1 ZINC001155038431 962947202 /nfs/dbraw/zinc/94/72/02/962947202.db2.gz PZECFGCGEMRYAF-ONGXEEELSA-N 2 1 238.310 1.459 20 0 BDADMP [NH3+]C1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964461 962990259 /nfs/dbraw/zinc/99/02/59/962990259.db2.gz QOWCVFJICGMRIS-PBWFPOADSA-N 2 1 235.375 1.035 20 0 BDADMP N[C@@H]1C[N@@H+](CCCCCC[NH3+])CCC1(F)F ZINC001206657030 963126411 /nfs/dbraw/zinc/12/64/11/963126411.db2.gz OGAQMZITPMFSMH-SNVBAGLBSA-N 2 1 235.322 1.174 20 0 BDADMP Cc1cc2c(nc[nH+]c2N(CCC[NH3+])C(C)C)[nH]1 ZINC001156118008 963257327 /nfs/dbraw/zinc/25/73/27/963257327.db2.gz MSBZSFHKITWAGL-UHFFFAOYSA-N 2 1 247.346 1.830 20 0 BDADMP C[N@H+]1CCC[C@H](CCNc2cccc(N)[nH+]2)C1 ZINC001156378498 963324715 /nfs/dbraw/zinc/32/47/15/963324715.db2.gz MMXAZTNASWQFHY-LLVKDONJSA-N 2 1 234.347 1.808 20 0 BDADMP Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001161698527 963343719 /nfs/dbraw/zinc/34/37/19/963343719.db2.gz JGEQBEGVWHBFGZ-NSHDSACASA-N 2 1 230.315 1.933 20 0 BDADMP C[N@H+]1CC[C@H](Nc2cc(N3CCCC3)cc[nH+]2)C1 ZINC001156580958 963394269 /nfs/dbraw/zinc/39/42/69/963394269.db2.gz OCXVMLHYGYBGDJ-LBPRGKRZSA-N 2 1 246.358 1.798 20 0 BDADMP COc1cc[nH+]c(NCc2ccc(N)[nH+]c2C)c1 ZINC001156974516 963503328 /nfs/dbraw/zinc/50/33/28/963503328.db2.gz LYYZTEGDQZRMOW-UHFFFAOYSA-N 2 1 244.298 1.988 20 0 BDADMP CC[C@@H](C)Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001157237409 963558941 /nfs/dbraw/zinc/55/89/41/963558941.db2.gz KCTDKSIEAJTVEY-SNVBAGLBSA-N 2 1 249.362 1.615 20 0 BDADMP C[N@H+]1CCC[C@H]2CN(c3cc(N)cc[nH+]3)C[C@@H]21 ZINC001157262352 963567854 /nfs/dbraw/zinc/56/78/54/963567854.db2.gz VHFZGEKNQSZMLU-JQWIXIFHSA-N 2 1 232.331 1.194 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(c3cc(N)cc[nH+]3)C[C@H]21 ZINC001157262355 963568678 /nfs/dbraw/zinc/56/86/78/963568678.db2.gz VHFZGEKNQSZMLU-ZYHUDNBSSA-N 2 1 232.331 1.194 20 0 BDADMP CC1(Nc2nc(NC3CC3)cc[nH+]2)CC[NH2+]CC1 ZINC001157396837 963593388 /nfs/dbraw/zinc/59/33/88/963593388.db2.gz IQJXJLJSMPXFGH-UHFFFAOYSA-N 2 1 247.346 1.605 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001168139484 963842279 /nfs/dbraw/zinc/84/22/79/963842279.db2.gz TVWHBCUFUOPPIJ-FVCCEPFGSA-N 2 1 224.348 1.047 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCO1 ZINC001168139484 963842281 /nfs/dbraw/zinc/84/22/81/963842281.db2.gz TVWHBCUFUOPPIJ-FVCCEPFGSA-N 2 1 224.348 1.047 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCO1 ZINC001168139484 963842283 /nfs/dbraw/zinc/84/22/83/963842283.db2.gz TVWHBCUFUOPPIJ-FVCCEPFGSA-N 2 1 224.348 1.047 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCO[C@H](C)C2)CC1 ZINC001168141804 963847431 /nfs/dbraw/zinc/84/74/31/963847431.db2.gz JZUVISBUAOHDIO-OCCSQVGLSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@]([NH3+])(CO)Nc1cc2[nH]ccc2c(C)[nH+]1 ZINC001159743740 964178445 /nfs/dbraw/zinc/17/84/45/964178445.db2.gz KSYUSAWEBSQYOP-GFCCVEGCSA-N 2 1 234.303 1.341 20 0 BDADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@H](O)C2)CC1 ZINC001168314557 964418577 /nfs/dbraw/zinc/41/85/77/964418577.db2.gz MVSXJINWMYHHDI-RUXDESIVSA-N 2 1 240.391 1.706 20 0 BDADMP CC[N@@H+](CCN(C)C)C1CCC([NH+](C)C)CC1 ZINC001168315710 964421187 /nfs/dbraw/zinc/42/11/87/964421187.db2.gz LFSRZQIMDKOTMF-UHFFFAOYSA-N 2 1 241.423 1.743 20 0 BDADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]1O ZINC001168314134 964421855 /nfs/dbraw/zinc/42/18/55/964421855.db2.gz KGRBHRUREXYSIO-BLYZHGLHSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCCO1 ZINC001168314106 964421989 /nfs/dbraw/zinc/42/19/89/964421989.db2.gz JXKAEDIXCNKSSG-HSBZDZAISA-N 2 1 240.391 1.970 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)C2(C)COC2)CC1 ZINC001168327912 964459777 /nfs/dbraw/zinc/45/97/77/964459777.db2.gz SUUSPFOVZDDVOO-UHFFFAOYSA-N 2 1 226.364 1.580 20 0 BDADMP CC[N@@H+](CC(C)(C)O)C1CCC([NH+](C)C)CC1 ZINC001168327956 964461302 /nfs/dbraw/zinc/46/13/02/964461302.db2.gz VFAPHLYLTNVXFC-UHFFFAOYSA-N 2 1 242.407 1.952 20 0 BDADMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccncn2)CC1 ZINC001168330684 964464740 /nfs/dbraw/zinc/46/47/40/964464740.db2.gz VUIUKGOLKRSDIL-UHFFFAOYSA-N 2 1 248.374 1.781 20 0 BDADMP Cc1cnn(C)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697825424 964550041 /nfs/dbraw/zinc/55/00/41/964550041.db2.gz OBJNSUALRRFVJI-NSHDSACASA-N 2 1 224.352 1.158 20 0 BDADMP C[C@H](CC[NH2+]Cc1cccn1C)[NH+](C)C ZINC000697877570 964603675 /nfs/dbraw/zinc/60/36/75/964603675.db2.gz AVIJACVWMLIARF-LLVKDONJSA-N 2 1 209.337 1.455 20 0 BDADMP Cc1cc2c[nH+]c(NCCCC[NH+](C)C)nc2[nH]1 ZINC001161724458 964715853 /nfs/dbraw/zinc/71/58/53/964715853.db2.gz JEGYCBBHJSYIGU-UHFFFAOYSA-N 2 1 247.346 1.972 20 0 BDADMP CNc1ccc(NCCCC[NH+](C)C)c[nH+]1 ZINC001161730724 964719762 /nfs/dbraw/zinc/71/97/62/964719762.db2.gz BWLZZSYYWPHJKU-UHFFFAOYSA-N 2 1 222.336 1.877 20 0 BDADMP Cc1c[nH]c2nc(N[C@@H]3CCC[C@H]([NH3+])C3)[nH+]cc12 ZINC001162390678 964950388 /nfs/dbraw/zinc/95/03/88/964950388.db2.gz HQYXQAVEECJWRC-VHSXEESVSA-N 2 1 245.330 1.900 20 0 BDADMP CC(=O)Nc1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162390998 964951697 /nfs/dbraw/zinc/95/16/97/964951697.db2.gz KTDUBXQBNQFBPU-QWRGUYRKSA-N 2 1 248.330 1.722 20 0 BDADMP [NH3+][C@H]1CCC[C@H](Nc2c[nH+]c3c(c2)CCCN3)C1 ZINC001162405809 964965558 /nfs/dbraw/zinc/96/55/58/964965558.db2.gz WWUCIDUWAHGXGN-RYUDHWBXSA-N 2 1 246.358 1.409 20 0 BDADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(CN)c1 ZINC001162468264 964989044 /nfs/dbraw/zinc/98/90/44/964989044.db2.gz WEPUYBXSDCXMQW-RYUDHWBXSA-N 2 1 248.374 1.588 20 0 BDADMP C[C@@H]1C[C@@H](CNc2ccc(N)[nH+]c2)C[NH2+]1 ZINC001162556718 965049702 /nfs/dbraw/zinc/04/97/02/965049702.db2.gz RWDAWZHSEIEZBM-RKDXNWHRSA-N 2 1 206.293 1.074 20 0 BDADMP C(C1CC1)[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC001168378467 965075034 /nfs/dbraw/zinc/07/50/34/965075034.db2.gz NUQWGDTUSUNDFM-UHFFFAOYSA-N 2 1 240.416 1.910 20 0 BDADMP Cc1cc[nH+]c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162789765 965175458 /nfs/dbraw/zinc/17/54/58/965175458.db2.gz LOIBCWQXKFWFKH-GRYCIOLGSA-N 2 1 215.300 1.576 20 0 BDADMP CCc1cccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001163202961 965300780 /nfs/dbraw/zinc/30/07/80/965300780.db2.gz DYLSSFWNWJCTFY-DGCLKSJQSA-N 2 1 233.315 1.187 20 0 BDADMP Cc1cc(N(C)C)[nH+]cc1N[C@@H](C)C[NH+](C)C ZINC001163776500 965582833 /nfs/dbraw/zinc/58/28/33/965582833.db2.gz BUBMINOPNQXWHN-NSHDSACASA-N 2 1 236.363 1.818 20 0 BDADMP Cc1cc(C[NH3+])nn1-c1cccn2c[nH+]cc12 ZINC001163985966 965676754 /nfs/dbraw/zinc/67/67/54/965676754.db2.gz LXARIQXWZZKOLH-UHFFFAOYSA-N 2 1 227.271 1.287 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001205094195 965725604 /nfs/dbraw/zinc/72/56/04/965725604.db2.gz KCAKEMNKSSQHKL-LLVKDONJSA-N 2 1 221.304 1.100 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC001205094788 965729565 /nfs/dbraw/zinc/72/95/65/965729565.db2.gz PMNOEZXTJFWUDS-NWDGAFQWSA-N 2 1 210.321 1.492 20 0 BDADMP CCc1cc(N2C[C@@H](C)CC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC001164072777 965732969 /nfs/dbraw/zinc/73/29/69/965732969.db2.gz CKGWNWGPKBVFCR-GWCFXTLKSA-N 2 1 248.374 1.911 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc[nH]c2=O)CC1 ZINC001205094975 965733541 /nfs/dbraw/zinc/73/35/41/965733541.db2.gz SFKPFQKDQKRBKE-LLVKDONJSA-N 2 1 221.304 1.100 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2[nH]nc3ccccc32)CC1 ZINC001205102915 965804561 /nfs/dbraw/zinc/80/45/61/965804561.db2.gz WHONHUBKZSLOFZ-NSHDSACASA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2[nH]nc3ccccc32)CC1 ZINC001205102915 965804566 /nfs/dbraw/zinc/80/45/66/965804566.db2.gz WHONHUBKZSLOFZ-NSHDSACASA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@H+](Cc2n[nH]c3ccccc32)CC1 ZINC001205102915 965804574 /nfs/dbraw/zinc/80/45/74/965804574.db2.gz WHONHUBKZSLOFZ-NSHDSACASA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2n[nH]c3ccccc32)CC1 ZINC001205102915 965804581 /nfs/dbraw/zinc/80/45/81/965804581.db2.gz WHONHUBKZSLOFZ-NSHDSACASA-N 2 1 244.342 1.876 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699213075 965817027 /nfs/dbraw/zinc/81/70/27/965817027.db2.gz YPQVFOISBFUKGK-GSPSYOTPSA-N 2 1 238.375 1.628 20 0 BDADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)nc1 ZINC001205109061 965823320 /nfs/dbraw/zinc/82/33/20/965823320.db2.gz AAVGGGXBHPVAPA-NSHDSACASA-N 2 1 235.331 1.403 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)nc1 ZINC001205109061 965823325 /nfs/dbraw/zinc/82/33/25/965823325.db2.gz AAVGGGXBHPVAPA-NSHDSACASA-N 2 1 235.331 1.403 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c2CCO3)CC1 ZINC001205117803 965869574 /nfs/dbraw/zinc/86/95/74/965869574.db2.gz VUCQUUWADRUHEP-CYBMUJFWSA-N 2 1 246.354 1.935 20 0 BDADMP Cc1ccc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)[nH+]c1C ZINC001165146838 965973727 /nfs/dbraw/zinc/97/37/27/965973727.db2.gz GBQDOSSXJVZNKF-CHWSQXEVSA-N 2 1 231.343 1.696 20 0 BDADMP Nc1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]c1 ZINC001165237174 966001333 /nfs/dbraw/zinc/00/13/33/966001333.db2.gz SZSGBTLDMBOKCY-CYBMUJFWSA-N 2 1 232.331 1.244 20 0 BDADMP CC[C@H]1COC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000699606679 966006774 /nfs/dbraw/zinc/00/67/74/966006774.db2.gz RYZXXRGCWRAUMK-QWHCGFSZSA-N 2 1 237.347 1.596 20 0 BDADMP C[N@H+]1CCC[C@@H](CCNc2cnc(C[NH3+])nc2)C1 ZINC001165277871 966021195 /nfs/dbraw/zinc/02/11/95/966021195.db2.gz AYWKHAWIQREYMV-NSHDSACASA-N 2 1 249.362 1.079 20 0 BDADMP C/C(=C\C=C\N)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001165278358 966023303 /nfs/dbraw/zinc/02/33/03/966023303.db2.gz FLIBQILTPHJHMV-KCQLPXRTSA-N 2 1 223.364 1.684 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H]3CCC[C@@H]32)O1 ZINC001235889859 966131403 /nfs/dbraw/zinc/13/14/03/966131403.db2.gz AGINPKWULUYDCL-AGIUHOORSA-N 2 1 238.375 1.975 20 0 BDADMP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H]3CCC[C@@H]32)O1 ZINC001235889859 966131419 /nfs/dbraw/zinc/13/14/19/966131419.db2.gz AGINPKWULUYDCL-AGIUHOORSA-N 2 1 238.375 1.975 20 0 BDADMP CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCNC1 ZINC001236003793 966224734 /nfs/dbraw/zinc/22/47/34/966224734.db2.gz AKQGAKXCUWADOP-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCNC1 ZINC001236003793 966224749 /nfs/dbraw/zinc/22/47/49/966224749.db2.gz AKQGAKXCUWADOP-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP COC1CCC(C[N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001236243106 966317267 /nfs/dbraw/zinc/31/72/67/966317267.db2.gz WPPJKYMXNMVRGX-OTTFEQOBSA-N 2 1 226.364 1.615 20 0 BDADMP COC1CCC(C[N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001236243106 966317275 /nfs/dbraw/zinc/31/72/75/966317275.db2.gz WPPJKYMXNMVRGX-OTTFEQOBSA-N 2 1 226.364 1.615 20 0 BDADMP c1coc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314508 966362738 /nfs/dbraw/zinc/36/27/38/966362738.db2.gz PLPUSUVPCRULLK-TXEJJXNPSA-N 2 1 220.316 1.711 20 0 BDADMP Cc1cccc(O[C@@H]2CC[N@@H+](CCCC[NH3+])C2)n1 ZINC001236665251 966499153 /nfs/dbraw/zinc/49/91/53/966499153.db2.gz SGFCACOAMVZVTM-CYBMUJFWSA-N 2 1 249.358 1.582 20 0 BDADMP C[C@@H]1CN(Cc2cccc3c[nH+]cn32)CC[N@H+]1C ZINC001238120482 966722857 /nfs/dbraw/zinc/72/28/57/966722857.db2.gz WANMDNMLNOJBKC-GFCCVEGCSA-N 2 1 244.342 1.470 20 0 BDADMP CCC1(Nc2cn3cc[nH+]c3cc2OC)C[NH2+]C1 ZINC001168582037 966919353 /nfs/dbraw/zinc/91/93/53/966919353.db2.gz FYVCAOSETQVDRI-UHFFFAOYSA-N 2 1 246.314 1.507 20 0 BDADMP c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)co1 ZINC001204241028 966935118 /nfs/dbraw/zinc/93/51/18/966935118.db2.gz SGSHTOOAUGMSGO-UHFFFAOYSA-N 2 1 243.310 1.997 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2SCCS2)CC[N@H+]1C ZINC000692903989 966980186 /nfs/dbraw/zinc/98/01/86/966980186.db2.gz HKTWVIVLDSJLIG-UWVGGRQHSA-N 2 1 246.445 1.865 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204599387 967100307 /nfs/dbraw/zinc/10/03/07/967100307.db2.gz YYNFQSOYSRSFII-MNOVXSKESA-N 2 1 212.337 1.443 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204599387 967100312 /nfs/dbraw/zinc/10/03/12/967100312.db2.gz YYNFQSOYSRSFII-MNOVXSKESA-N 2 1 212.337 1.443 20 0 BDADMP CC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001204604380 967100479 /nfs/dbraw/zinc/10/04/79/967100479.db2.gz LMWKXZMPIKTDOH-NSHDSACASA-N 2 1 212.337 1.443 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000691351864 967259883 /nfs/dbraw/zinc/25/98/83/967259883.db2.gz UKHGEVGFTAYYIL-CYBMUJFWSA-N 2 1 240.391 1.423 20 0 BDADMP CC[C@@H](C)[N@@H+](CCO)CC1CC[NH+](C)CC1 ZINC000691352052 967260814 /nfs/dbraw/zinc/26/08/14/967260814.db2.gz VHNJOGHAIVCDOY-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000691352315 967261979 /nfs/dbraw/zinc/26/19/79/967261979.db2.gz XROASRFJBFQDFQ-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP [NH3+]CC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001205033962 967298300 /nfs/dbraw/zinc/29/83/00/967298300.db2.gz ZVLOFKZDAMDMNE-UHFFFAOYSA-N 2 1 244.342 1.734 20 0 BDADMP C[C@H]1CC[C@@H](CN)[N@H+]1CC1(C)CC[NH2+]CC1 ZINC001205058222 967311243 /nfs/dbraw/zinc/31/12/43/967311243.db2.gz GZBRECFKGZGTAA-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1CC[C@@H](C[NH3+])N1CC1(C)CC[NH2+]CC1 ZINC001205058222 967311250 /nfs/dbraw/zinc/31/12/50/967311250.db2.gz GZBRECFKGZGTAA-RYUDHWBXSA-N 2 1 225.380 1.188 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)[nH]1 ZINC001205093724 967336629 /nfs/dbraw/zinc/33/66/29/967336629.db2.gz FGWVNXDTHYHQKW-NSHDSACASA-N 2 1 236.363 1.594 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)[nH]1 ZINC001205093724 967336634 /nfs/dbraw/zinc/33/66/34/967336634.db2.gz FGWVNXDTHYHQKW-NSHDSACASA-N 2 1 236.363 1.594 20 0 BDADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205094970 967337857 /nfs/dbraw/zinc/33/78/57/967337857.db2.gz SCOMLIVXUGPJOM-SNVBAGLBSA-N 2 1 225.361 1.765 20 0 BDADMP Cc1ncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205094970 967337861 /nfs/dbraw/zinc/33/78/61/967337861.db2.gz SCOMLIVXUGPJOM-SNVBAGLBSA-N 2 1 225.361 1.765 20 0 BDADMP CC1(C[N@H+]2CCC[C@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001205094945 967339155 /nfs/dbraw/zinc/33/91/55/967339155.db2.gz RLTVWTNEZXSGNM-LBPRGKRZSA-N 3 1 225.380 1.189 20 0 BDADMP Cc1nc[nH]c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094577 967342222 /nfs/dbraw/zinc/34/22/22/967342222.db2.gz NAVXLTHHBWLRFM-SNVBAGLBSA-N 2 1 208.309 1.031 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094577 967342236 /nfs/dbraw/zinc/34/22/36/967342236.db2.gz NAVXLTHHBWLRFM-SNVBAGLBSA-N 2 1 208.309 1.031 20 0 BDADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1N ZINC001205109857 967350614 /nfs/dbraw/zinc/35/06/14/967350614.db2.gz LIWRIKSXBOKKOG-GFCCVEGCSA-N 2 1 249.358 1.591 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3nccn3c2)CC1 ZINC001205109301 967351104 /nfs/dbraw/zinc/35/11/04/967351104.db2.gz DROJSEMHWMNQHC-CYBMUJFWSA-N 2 1 244.342 1.648 20 0 BDADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000691357687 967362126 /nfs/dbraw/zinc/36/21/26/967362126.db2.gz CXYIEJPXFNHOQB-DGCLKSJQSA-N 2 1 226.364 1.173 20 0 BDADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3ccncc3[nH]2)CC1 ZINC001205117815 967365682 /nfs/dbraw/zinc/36/56/82/967365682.db2.gz WBWZAQBATYLIEZ-GFCCVEGCSA-N 2 1 244.342 1.876 20 0 BDADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)NCC3)CC1 ZINC001205124114 967372715 /nfs/dbraw/zinc/37/27/15/967372715.db2.gz KIMNKRHSYXLDGG-AWEZNQCLSA-N 2 1 245.370 1.968 20 0 BDADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205130525 967376137 /nfs/dbraw/zinc/37/61/37/967376137.db2.gz GZUBZDHPMCPYNV-YNEHKIRRSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@H]1CN(CC[C@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC001205130525 967376147 /nfs/dbraw/zinc/37/61/47/967376147.db2.gz GZUBZDHPMCPYNV-YNEHKIRRSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@@H](C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)C(F)(F)F ZINC001205130853 967376792 /nfs/dbraw/zinc/37/67/92/967376792.db2.gz MJOCPMIJZASZSG-XHNCKOQMSA-N 2 1 224.270 1.711 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000721954157 967382277 /nfs/dbraw/zinc/38/22/77/967382277.db2.gz IDAZITTZEBENCT-MQYQWHSLSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000721954157 967382285 /nfs/dbraw/zinc/38/22/85/967382285.db2.gz IDAZITTZEBENCT-MQYQWHSLSA-N 2 1 238.375 1.485 20 0 BDADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)[nH]1 ZINC001205136271 967383921 /nfs/dbraw/zinc/38/39/21/967383921.db2.gz UBBRQRWEBHFUDY-CMPLNLGQSA-N 2 1 221.348 1.658 20 0 BDADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cccnc23)C[C@H]1C[NH3+] ZINC001205146112 967390471 /nfs/dbraw/zinc/39/04/71/967390471.db2.gz OSSMMRWPNPJZHE-WDEREUQCSA-N 2 1 244.342 1.590 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc2nc[nH]c21 ZINC001205190953 967415838 /nfs/dbraw/zinc/41/58/38/967415838.db2.gz SMZQICSEADNNRL-MWLCHTKSSA-N 2 1 230.315 1.484 20 0 BDADMP Cc1cccnc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209785 967429202 /nfs/dbraw/zinc/42/92/02/967429202.db2.gz LECZKNBCXKZGBL-CQSZACIVSA-N 2 1 249.358 1.066 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001205255099 967443401 /nfs/dbraw/zinc/44/34/01/967443401.db2.gz GUAFFOIYJTZTRQ-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001205256904 967443491 /nfs/dbraw/zinc/44/34/91/967443491.db2.gz SBHWFQRAOGFWLV-CYBMUJFWSA-N 3 1 225.380 1.189 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001205255100 967443961 /nfs/dbraw/zinc/44/39/61/967443961.db2.gz GUAFFOIYJTZTRQ-NWDGAFQWSA-N 2 1 212.337 1.226 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001205255530 967444012 /nfs/dbraw/zinc/44/40/12/967444012.db2.gz JYDSDLQNJUVLAH-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CCCC2OCCO2)CC1 ZINC001205257141 967445470 /nfs/dbraw/zinc/44/54/70/967445470.db2.gz SOZHHGPFTXYQAA-ZDUSSCGKSA-N 2 1 242.363 1.343 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](CCC23CC([NH3+])(C2)C3)CC1 ZINC001205255103 967445599 /nfs/dbraw/zinc/44/55/99/967445599.db2.gz GUQDBPBIPCFQIT-HSBZDZAISA-N 3 1 237.391 1.461 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](CCCn2cccn2)CC1 ZINC001205256226 967445692 /nfs/dbraw/zinc/44/56/92/967445692.db2.gz OAWMIIDMGPDBBO-CYBMUJFWSA-N 2 1 236.363 1.477 20 0 BDADMP Cc1cncc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205256844 967448090 /nfs/dbraw/zinc/44/80/90/967448090.db2.gz QVBQSSINLCOESR-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1cncc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205256844 967448096 /nfs/dbraw/zinc/44/80/96/967448096.db2.gz QVBQSSINLCOESR-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP CCn1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205264323 967458379 /nfs/dbraw/zinc/45/83/79/967458379.db2.gz KLVPIUNJKUWWGL-CYBMUJFWSA-N 2 1 236.363 1.606 20 0 BDADMP CCn1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205264323 967458391 /nfs/dbraw/zinc/45/83/91/967458391.db2.gz KLVPIUNJKUWWGL-CYBMUJFWSA-N 2 1 236.363 1.606 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc[nH]c2=O)CC1 ZINC001205263949 967458831 /nfs/dbraw/zinc/45/88/31/967458831.db2.gz GFQRZJXNFDNYQZ-CYBMUJFWSA-N 2 1 235.331 1.491 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cnc(N)s2)CC1 ZINC001205272992 967467555 /nfs/dbraw/zinc/46/75/55/967467555.db2.gz BWEGOSLFXQRYAV-LLVKDONJSA-N 2 1 240.376 1.429 20 0 BDADMP C[C@H]1CCNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001205324415 967545893 /nfs/dbraw/zinc/54/58/93/967545893.db2.gz AXMZTTDYZQEHOP-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC001205324415 967545903 /nfs/dbraw/zinc/54/59/03/967545903.db2.gz AXMZTTDYZQEHOP-LBPRGKRZSA-N 2 1 225.380 1.060 20 0 BDADMP CCC1(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)COC1 ZINC001205536926 967667130 /nfs/dbraw/zinc/66/71/30/967667130.db2.gz CHTXYAVQMLYRSQ-CYBMUJFWSA-N 2 1 244.354 1.566 20 0 BDADMP CSCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205538577 967684251 /nfs/dbraw/zinc/68/42/51/967684251.db2.gz NZOASQKMYDKDTP-LLVKDONJSA-N 2 1 234.384 1.892 20 0 BDADMP CCOC(C)(C)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546672 967688474 /nfs/dbraw/zinc/68/84/74/967688474.db2.gz YKYCMHULDOXODO-ZDUSSCGKSA-N 2 1 246.370 1.954 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccoc2)CC1 ZINC001205546632 967690384 /nfs/dbraw/zinc/69/03/84/967690384.db2.gz XLKMCRXEPKTXDG-LBPRGKRZSA-N 2 1 226.295 1.933 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546239 967692790 /nfs/dbraw/zinc/69/27/90/967692790.db2.gz SPVNFKGNFYXOFD-CYBMUJFWSA-N 3 1 245.386 1.658 20 0 BDADMP Cc1nc[nH]c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602803 967718901 /nfs/dbraw/zinc/71/89/01/967718901.db2.gz MPERNXQAPXPPTD-JQWIXIFHSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@@H]1CC[N@@H+](Cc2ccc[nH]c2=O)CC[C@H]1C[NH3+] ZINC001205617738 967725166 /nfs/dbraw/zinc/72/51/66/967725166.db2.gz NAXGHAMGKYDXPY-NEPJUHHUSA-N 2 1 249.358 1.594 20 0 BDADMP Cc1c[nH]c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)n1 ZINC001205617856 967731286 /nfs/dbraw/zinc/73/12/86/967731286.db2.gz OOTAITULVKWNSE-PWSUYJOCSA-N 2 1 236.363 1.525 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccnnc2)CC[C@H]1C[NH3+] ZINC001205627093 967734116 /nfs/dbraw/zinc/73/41/16/967734116.db2.gz MNHRECAKUNMDJC-AAEUAGOBSA-N 2 1 234.347 1.283 20 0 BDADMP CCC1(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)COC1 ZINC001205734929 967809992 /nfs/dbraw/zinc/80/99/92/967809992.db2.gz HNLPZDPJQAISOZ-SNVBAGLBSA-N 2 1 248.317 1.329 20 0 BDADMP COC(=O)c1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC001117953505 967856010 /nfs/dbraw/zinc/85/60/10/967856010.db2.gz JGKKWLUDXXOXRK-ZDUSSCGKSA-N 2 1 248.326 1.300 20 0 BDADMP COC(=O)c1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC001117953504 967857018 /nfs/dbraw/zinc/85/70/18/967857018.db2.gz JGKKWLUDXXOXRK-CYBMUJFWSA-N 2 1 248.326 1.300 20 0 BDADMP CS[C@@H](C)CC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205057981 967860121 /nfs/dbraw/zinc/86/01/21/967860121.db2.gz BLXUNBKAPSEMFI-DCAQKATOSA-N 2 1 216.394 1.940 20 0 BDADMP CS[C@@H](C)CC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205057981 967860122 /nfs/dbraw/zinc/86/01/22/967860122.db2.gz BLXUNBKAPSEMFI-DCAQKATOSA-N 2 1 216.394 1.940 20 0 BDADMP COC1CC(C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 ZINC000703853875 967878669 /nfs/dbraw/zinc/87/86/69/967878669.db2.gz RDSLMQGQDJRYDA-VOMCLLRMSA-N 2 1 212.337 1.082 20 0 BDADMP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205947066 967897173 /nfs/dbraw/zinc/89/71/73/967897173.db2.gz WQCLWPBSHKVQPE-ZIAGYGMSSA-N 2 1 234.343 1.143 20 0 BDADMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205947066 967897177 /nfs/dbraw/zinc/89/71/77/967897177.db2.gz WQCLWPBSHKVQPE-ZIAGYGMSSA-N 2 1 234.343 1.143 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)co1 ZINC001205992548 967941480 /nfs/dbraw/zinc/94/14/80/967941480.db2.gz FFOMAJGNAAAODP-ZYHUDNBSSA-N 2 1 237.347 1.790 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCC[C@H]1C[NH3+] ZINC001205985662 967942279 /nfs/dbraw/zinc/94/22/79/967942279.db2.gz ZKONAMMIJGWNKW-KGLIPLIRSA-N 3 1 241.423 1.812 20 0 BDADMP C[C@H]1C[N@@H+](Cc2nccn2C)CCC[C@H]1C[NH3+] ZINC001205996737 967951086 /nfs/dbraw/zinc/95/10/86/967951086.db2.gz XZVSMFPHAPTWGE-RYUDHWBXSA-N 2 1 236.363 1.227 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccon2)CCC[C@@H]1C[NH3+] ZINC001205996559 967952538 /nfs/dbraw/zinc/95/25/38/967952538.db2.gz XGPOYRVXVRELQI-GHMZBOCLSA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ncco2)CCC[C@H]1C[NH3+] ZINC001206003763 967960147 /nfs/dbraw/zinc/96/01/47/967960147.db2.gz MHWLPEXEWKKADE-MNOVXSKESA-N 2 1 223.320 1.481 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2cccnn2)CCC[C@H]1C[NH3+] ZINC001206005631 967960580 /nfs/dbraw/zinc/96/05/80/967960580.db2.gz YWMQSAJKMIVJPZ-NEPJUHHUSA-N 2 1 234.347 1.283 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC001206022752 967983485 /nfs/dbraw/zinc/98/34/85/967983485.db2.gz CQDDKIQJBIVOAW-STQMWFEESA-N 2 1 248.374 1.592 20 0 BDADMP Cc1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)[nH+]c1 ZINC001163306196 968016669 /nfs/dbraw/zinc/01/66/69/968016669.db2.gz QLADUWVNRSSZTN-JSGCOSHPSA-N 2 1 247.342 1.713 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2ccco2)CC[C@H]1F ZINC001206154458 968091586 /nfs/dbraw/zinc/09/15/86/968091586.db2.gz JDSYPXKDZURXBP-GHMZBOCLSA-N 2 1 212.268 1.541 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccco2)CC[C@H]1F ZINC001206154458 968091596 /nfs/dbraw/zinc/09/15/96/968091596.db2.gz JDSYPXKDZURXBP-GHMZBOCLSA-N 2 1 212.268 1.541 20 0 BDADMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)n1 ZINC001206165787 968101118 /nfs/dbraw/zinc/10/11/18/968101118.db2.gz OUKNISPIZBXGLH-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)n1 ZINC001206165787 968101125 /nfs/dbraw/zinc/10/11/25/968101125.db2.gz OUKNISPIZBXGLH-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1cnccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206165781 968103600 /nfs/dbraw/zinc/10/36/00/968103600.db2.gz OTWFLEBDWBFWTE-STQMWFEESA-N 2 1 237.322 1.651 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(=O)[nH]2)CC[C@H]1F ZINC001206167313 968104646 /nfs/dbraw/zinc/10/46/46/968104646.db2.gz YGLQCUKUPGHQAN-GHMZBOCLSA-N 2 1 239.294 1.048 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(=O)[nH]2)CC[C@H]1F ZINC001206167313 968104653 /nfs/dbraw/zinc/10/46/53/968104653.db2.gz YGLQCUKUPGHQAN-GHMZBOCLSA-N 2 1 239.294 1.048 20 0 BDADMP CO[C@@H](C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001206214996 968145041 /nfs/dbraw/zinc/14/50/41/968145041.db2.gz JFXIPZFCURFSBW-NWDGAFQWSA-N 2 1 214.353 1.343 20 0 BDADMP CC(C)N(CCC[NH3+])c1cc(Cl)cc(N)[nH+]1 ZINC001164122958 968173789 /nfs/dbraw/zinc/17/37/89/968173789.db2.gz STTBBSRGWBPSFM-UHFFFAOYSA-N 2 1 242.754 1.881 20 0 BDADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001206276039 968189825 /nfs/dbraw/zinc/18/98/25/968189825.db2.gz AUMYWBMCENNBFN-GFCCVEGCSA-N 2 1 245.370 1.696 20 0 BDADMP C[N@H+]1CCC[C@@H](OCC[NH+]2CCCC2)CC1 ZINC001206302238 968211881 /nfs/dbraw/zinc/21/18/81/968211881.db2.gz GOWNJGFOJCYAPY-CYBMUJFWSA-N 2 1 226.364 1.583 20 0 BDADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC001206304255 968211996 /nfs/dbraw/zinc/21/19/96/968211996.db2.gz INQANNNFKWMODI-CQSZACIVSA-N 2 1 249.358 1.738 20 0 BDADMP Cc1cnc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)nc1 ZINC001206327907 968235386 /nfs/dbraw/zinc/23/53/86/968235386.db2.gz ZXACNUAJTOTEQO-AWEZNQCLSA-N 2 1 248.374 1.736 20 0 BDADMP CN(C)c1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC001165147027 968268489 /nfs/dbraw/zinc/26/84/89/968268489.db2.gz HKCMASZMAFHDGS-TXEJJXNPSA-N 2 1 246.358 1.145 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206512387 968344513 /nfs/dbraw/zinc/34/45/13/968344513.db2.gz NLUVGWNRHKWCAY-KBPBESRZSA-N 2 1 234.343 1.055 20 0 BDADMP C[C@]1(C[NH3+])CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206541994 968368585 /nfs/dbraw/zinc/36/85/85/968368585.db2.gz OQYQLAQQPIWFQR-CQSZACIVSA-N 3 1 239.407 1.437 20 0 BDADMP C[C@]1(CN)CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001206541994 968368596 /nfs/dbraw/zinc/36/85/96/968368596.db2.gz OQYQLAQQPIWFQR-CQSZACIVSA-N 2 1 239.407 1.437 20 0 BDADMP C[C@]1(CN)CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001206541994 968368602 /nfs/dbraw/zinc/36/86/02/968368602.db2.gz OQYQLAQQPIWFQR-CQSZACIVSA-N 2 1 239.407 1.437 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(N)n1 ZINC001276491028 968418135 /nfs/dbraw/zinc/41/81/35/968418135.db2.gz AZENUTKILUMOPV-YHWZYXNKSA-N 2 1 246.358 1.379 20 0 BDADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(N)n1 ZINC001276491028 968418140 /nfs/dbraw/zinc/41/81/40/968418140.db2.gz AZENUTKILUMOPV-YHWZYXNKSA-N 2 1 246.358 1.379 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC001206624256 968423054 /nfs/dbraw/zinc/42/30/54/968423054.db2.gz SAFMIPWIWDMUTR-NSHDSACASA-N 2 1 238.331 1.333 20 0 BDADMP CC[NH+](CC)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000179291013 968456407 /nfs/dbraw/zinc/45/64/07/968456407.db2.gz DJYPTTZIGWXJPR-CQSZACIVSA-N 2 1 241.423 1.602 20 0 BDADMP Cc1ncc(C[NH+]2CC3(C2)CC[NH+](C)CC3)n1C ZINC001206794653 968476135 /nfs/dbraw/zinc/47/61/35/968476135.db2.gz FNMZQJOJNSBCHQ-UHFFFAOYSA-N 2 1 248.374 1.256 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001252098905 968583064 /nfs/dbraw/zinc/58/30/64/968583064.db2.gz XIJJPGJTDRXJOZ-RDBSUJKOSA-N 2 1 240.391 1.564 20 0 BDADMP CCn1ccnc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001207146909 968655358 /nfs/dbraw/zinc/65/53/58/968655358.db2.gz OTYMGXVGBDXXSA-UHFFFAOYSA-N 2 1 248.374 1.431 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[C@H]1O ZINC001207391322 968747524 /nfs/dbraw/zinc/74/75/24/968747524.db2.gz FBFZXBUJZLSWGW-GXTWGEPZSA-N 2 1 240.391 1.421 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCOC3(CC3)C2)CC1 ZINC001207401722 968749544 /nfs/dbraw/zinc/74/95/44/968749544.db2.gz SHIVTIBAHIDOHD-UHFFFAOYSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC(C[N@@H+]2CCc3nccn3CC2)CC1 ZINC001207398584 968749595 /nfs/dbraw/zinc/74/95/95/968749595.db2.gz BMWSXSOJGBUIND-UHFFFAOYSA-N 2 1 248.374 1.083 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]23CCOC3)CC1 ZINC001207398634 968752297 /nfs/dbraw/zinc/75/22/97/968752297.db2.gz FCZQHSLLGCDVRI-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCc3ccncc3C2)CC1 ZINC001207399022 968753290 /nfs/dbraw/zinc/75/32/90/968753290.db2.gz VYXYQJKGBJJLKU-UHFFFAOYSA-N 2 1 245.370 1.782 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001207435254 968768831 /nfs/dbraw/zinc/76/88/31/968768831.db2.gz BJUYFNAWYFDXRU-CQSZACIVSA-N 2 1 238.375 1.489 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001207436256 968769730 /nfs/dbraw/zinc/76/97/30/968769730.db2.gz YVQNDGNPYYFQPB-KGLIPLIRSA-N 2 1 238.375 1.487 20 0 BDADMP CN1CCC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001207440914 968772188 /nfs/dbraw/zinc/77/21/88/968772188.db2.gz LYVYEIMDVRDSSQ-KGLIPLIRSA-N 3 1 237.391 1.012 20 0 BDADMP CC(C)[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207438732 968772991 /nfs/dbraw/zinc/77/29/91/968772991.db2.gz GCIDYCOTVZGFRL-CYBMUJFWSA-N 2 1 226.364 1.343 20 0 BDADMP CN1CCC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001207440915 968775035 /nfs/dbraw/zinc/77/50/35/968775035.db2.gz LYVYEIMDVRDSSQ-UONOGXRCSA-N 3 1 237.391 1.012 20 0 BDADMP CO[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207481533 968792200 /nfs/dbraw/zinc/79/22/00/968792200.db2.gz KKBHTDQGEPAIBN-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP C[NH+]1CCC(CC[N@H+]2CCC[C@H]2CO)CC1 ZINC001207481449 968798324 /nfs/dbraw/zinc/79/83/24/968798324.db2.gz HICSHIRVBFFATO-ZDUSSCGKSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[N@@H+]1C ZINC001207861766 968910248 /nfs/dbraw/zinc/91/02/48/968910248.db2.gz HQWIWPUHCWDLNV-JZRPKSSGSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC[N@H+]1C ZINC001207861766 968910252 /nfs/dbraw/zinc/91/02/52/968910252.db2.gz HQWIWPUHCWDLNV-JZRPKSSGSA-N 2 1 224.348 1.379 20 0 BDADMP C([C@H]1CCCCO1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001207964734 968963542 /nfs/dbraw/zinc/96/35/42/968963542.db2.gz QNPNJEIJCYMZQI-CQSZACIVSA-N 2 1 238.375 1.726 20 0 BDADMP C[N@@H+]1CC=C(c2ccc(C[NH3+])nc2)CC1 ZINC001241321719 968974542 /nfs/dbraw/zinc/97/45/42/968974542.db2.gz BCHPSAXHZOXGQV-UHFFFAOYSA-N 2 1 203.289 1.259 20 0 BDADMP CO[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208105600 969002346 /nfs/dbraw/zinc/00/23/46/969002346.db2.gz ABVNJKIRVJLBQK-LBPRGKRZSA-N 2 1 226.364 1.439 20 0 BDADMP CCc1cc(N(CCC[NH3+])C(C)C)nc(C)[nH+]1 ZINC000088759940 969130083 /nfs/dbraw/zinc/13/00/83/969130083.db2.gz WREXKDWZVHHEMN-UHFFFAOYSA-N 2 1 236.363 1.911 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC001208595436 969150909 /nfs/dbraw/zinc/15/09/09/969150909.db2.gz SSRLERCJXJHEPL-CYBMUJFWSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]1CC1(C)C ZINC001253394228 969153178 /nfs/dbraw/zinc/15/31/78/969153178.db2.gz IQNGFNMGDLIFNB-NWDGAFQWSA-N 2 1 242.407 1.713 20 0 BDADMP C[N@H+]1CCC[C@H](C[NH+]2CC3(CCC3)C2)C1 ZINC001208608171 969161679 /nfs/dbraw/zinc/16/16/79/969161679.db2.gz QVWUKEDOUPNQSK-LBPRGKRZSA-N 2 1 208.349 1.814 20 0 BDADMP C[N@H+]1CCC[C@@H](CN2CC([NH+]3CCCC3)C2)C1 ZINC001208609717 969169348 /nfs/dbraw/zinc/16/93/48/969169348.db2.gz WRPUBDFIYNSJSG-CYBMUJFWSA-N 2 1 237.391 1.108 20 0 BDADMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@]23CCOC3)C1 ZINC001208613883 969169976 /nfs/dbraw/zinc/16/99/76/969169976.db2.gz ASXIBBCXNAROPT-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@]23CCOC3)C1 ZINC001208613883 969169985 /nfs/dbraw/zinc/16/99/85/969169985.db2.gz ASXIBBCXNAROPT-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@]23CCOC3)C1 ZINC001208613883 969169993 /nfs/dbraw/zinc/16/99/93/969169993.db2.gz ASXIBBCXNAROPT-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@]23CCOC3)C1 ZINC001208613883 969170000 /nfs/dbraw/zinc/17/00/00/969170000.db2.gz ASXIBBCXNAROPT-OLZOCXBDSA-N 2 1 224.348 1.193 20 0 BDADMP Cc1cc(N)[nH+]cc1-c1cc(C2C[NH2+]C2)ncn1 ZINC001242084258 969201225 /nfs/dbraw/zinc/20/12/25/969201225.db2.gz NGZURJRTPHFFBC-UHFFFAOYSA-N 2 1 241.298 1.116 20 0 BDADMP CCc1cc(NC2=CC[N@@H+](C)CC2)cc[nH+]1 ZINC001208794619 969243961 /nfs/dbraw/zinc/24/39/61/969243961.db2.gz QPRBAGYMDFHHLW-UHFFFAOYSA-N 2 1 217.316 1.697 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(=O)[nH]c2)CCC[C@@H]1C[NH3+] ZINC001205994845 969247533 /nfs/dbraw/zinc/24/75/33/969247533.db2.gz MNQSUPRMGVJSQV-DGCLKSJQSA-N 2 1 249.358 1.594 20 0 BDADMP CCOC(C)(C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209077969 969350147 /nfs/dbraw/zinc/35/01/47/969350147.db2.gz UXMJFCHCSGJBFT-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC(C)(C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001209077969 969350154 /nfs/dbraw/zinc/35/01/54/969350154.db2.gz UXMJFCHCSGJBFT-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CCOC(C)(C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001209077969 969350160 /nfs/dbraw/zinc/35/01/60/969350160.db2.gz UXMJFCHCSGJBFT-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169095723 969383983 /nfs/dbraw/zinc/38/39/83/969383983.db2.gz SBEMULHCOIGAJT-XDQVBPFNSA-N 2 1 237.391 1.295 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCC[NH+](C)C1)C2 ZINC001169095723 969383995 /nfs/dbraw/zinc/38/39/95/969383995.db2.gz SBEMULHCOIGAJT-XDQVBPFNSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCC[N@H+](C)C1)C2 ZINC001169095723 969384003 /nfs/dbraw/zinc/38/40/03/969384003.db2.gz SBEMULHCOIGAJT-XDQVBPFNSA-N 2 1 237.391 1.295 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCC[N@@H+](C)C1)C2 ZINC001169095723 969384007 /nfs/dbraw/zinc/38/40/07/969384007.db2.gz SBEMULHCOIGAJT-XDQVBPFNSA-N 2 1 237.391 1.295 20 0 BDADMP CSCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093018 969387926 /nfs/dbraw/zinc/38/79/26/969387926.db2.gz DWMMZQFDISMOQQ-CNDDSTCGSA-N 2 1 228.405 1.954 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cnccn1)C2 ZINC001169098926 969392969 /nfs/dbraw/zinc/39/29/69/969392969.db2.gz MMKWQFDWNSZAMB-BTTYYORXSA-N 2 1 246.358 1.234 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccccn1)C2 ZINC001169077911 969395262 /nfs/dbraw/zinc/39/52/62/969395262.db2.gz BLSHPKCYCQOKPC-QDMKHBRRSA-N 2 1 245.370 1.839 20 0 BDADMP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169079135 969395341 /nfs/dbraw/zinc/39/53/41/969395341.db2.gz JBVYLZGLLCQPLO-CRWXNKLISA-N 2 1 240.391 1.872 20 0 BDADMP COC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078357 969400578 /nfs/dbraw/zinc/40/05/78/969400578.db2.gz DKTIHLPDDWBLLX-WISYIIOYSA-N 2 1 212.337 1.236 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](O)C1)C2 ZINC001169082318 969401539 /nfs/dbraw/zinc/40/15/39/969401539.db2.gz YOZYXSMGICOMPV-WJTVCTBASA-N 2 1 224.348 1.115 20 0 BDADMP COCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209214995 969402410 /nfs/dbraw/zinc/40/24/10/969402410.db2.gz KQOOMCLVBKPWQS-LBPRGKRZSA-N 2 1 236.315 1.490 20 0 BDADMP COCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209214995 969402417 /nfs/dbraw/zinc/40/24/17/969402417.db2.gz KQOOMCLVBKPWQS-LBPRGKRZSA-N 2 1 236.315 1.490 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C)COC1)C2 ZINC001169080937 969402758 /nfs/dbraw/zinc/40/27/58/969402758.db2.gz NXCLQEIDUARVRV-CNDDSTCGSA-N 2 1 224.348 1.238 20 0 BDADMP COCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209219338 969405825 /nfs/dbraw/zinc/40/58/25/969405825.db2.gz ISGMPHPBVKRAII-UHFFFAOYSA-N 2 1 223.320 1.168 20 0 BDADMP COCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209219338 969405828 /nfs/dbraw/zinc/40/58/28/969405828.db2.gz ISGMPHPBVKRAII-UHFFFAOYSA-N 2 1 223.320 1.168 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCCCO1)C2 ZINC001169091473 969408532 /nfs/dbraw/zinc/40/85/32/969408532.db2.gz RWSTUJCCYRSBHP-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@]1(C)CCOC1)C2 ZINC001169119310 969413733 /nfs/dbraw/zinc/41/37/33/969413733.db2.gz RASPPVHCKIYMGH-YVECIDJPSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC001169124339 969420690 /nfs/dbraw/zinc/42/06/90/969420690.db2.gz PPXQENUNSYJKMO-IEECTRCBSA-N 2 1 223.364 1.081 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](O)C1)C2 ZINC001169125353 969425233 /nfs/dbraw/zinc/42/52/33/969425233.db2.gz ZQTKBZZXHCFVJQ-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](O)C1)C2 ZINC001169125353 969425245 /nfs/dbraw/zinc/42/52/45/969425245.db2.gz ZQTKBZZXHCFVJQ-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](O)C1)C2 ZINC001169125353 969425252 /nfs/dbraw/zinc/42/52/52/969425252.db2.gz ZQTKBZZXHCFVJQ-RNJOBUHISA-N 2 1 224.348 1.068 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](O)C1)C2 ZINC001169125354 969425429 /nfs/dbraw/zinc/42/54/29/969425429.db2.gz ZQTKBZZXHCFVJQ-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](O)C1)C2 ZINC001169125354 969425442 /nfs/dbraw/zinc/42/54/42/969425442.db2.gz ZQTKBZZXHCFVJQ-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](O)C1)C2 ZINC001169125354 969425448 /nfs/dbraw/zinc/42/54/48/969425448.db2.gz ZQTKBZZXHCFVJQ-YVECIDJPSA-N 2 1 224.348 1.068 20 0 BDADMP COC[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169124925 969428562 /nfs/dbraw/zinc/42/85/62/969428562.db2.gz HDVTWVTYNWWWPY-MQYQWHSLSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124925 969428570 /nfs/dbraw/zinc/42/85/70/969428570.db2.gz HDVTWVTYNWWWPY-MQYQWHSLSA-N 2 1 238.375 1.580 20 0 BDADMP COC[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124925 969428579 /nfs/dbraw/zinc/42/85/79/969428579.db2.gz HDVTWVTYNWWWPY-MQYQWHSLSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126290 969431888 /nfs/dbraw/zinc/43/18/88/969431888.db2.gz RDBVKLTVUXYCJP-UJPOAAIJSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@@H](O)C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126290 969431892 /nfs/dbraw/zinc/43/18/92/969431892.db2.gz RDBVKLTVUXYCJP-UJPOAAIJSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126290 969431898 /nfs/dbraw/zinc/43/18/98/969431898.db2.gz RDBVKLTVUXYCJP-UJPOAAIJSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[C@@H](O)C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126290 969431904 /nfs/dbraw/zinc/43/19/04/969431904.db2.gz RDBVKLTVUXYCJP-UJPOAAIJSA-N 2 1 224.348 1.067 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001169126722 969432435 /nfs/dbraw/zinc/43/24/35/969432435.db2.gz WZGBSMVVZCKLGF-PEBLQZBPSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@H]1O ZINC001169126722 969432445 /nfs/dbraw/zinc/43/24/45/969432445.db2.gz WZGBSMVVZCKLGF-PEBLQZBPSA-N 2 1 238.375 1.314 20 0 BDADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@H]1O ZINC001169126722 969432451 /nfs/dbraw/zinc/43/24/51/969432451.db2.gz WZGBSMVVZCKLGF-PEBLQZBPSA-N 2 1 238.375 1.314 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@](C)(O)C1)C2 ZINC001169127137 969432537 /nfs/dbraw/zinc/43/25/37/969432537.db2.gz ZYTKEHUATOLYML-LOWDOPEQSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@](C)(O)C1)C2 ZINC001169127137 969432546 /nfs/dbraw/zinc/43/25/46/969432546.db2.gz ZYTKEHUATOLYML-LOWDOPEQSA-N 2 1 224.348 1.068 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@](C)(O)C1)C2 ZINC001169127137 969432548 /nfs/dbraw/zinc/43/25/48/969432548.db2.gz ZYTKEHUATOLYML-LOWDOPEQSA-N 2 1 224.348 1.068 20 0 BDADMP COCC1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126308 969434410 /nfs/dbraw/zinc/43/44/10/969434410.db2.gz RMFQBQYNPZRNCH-ITGUQSILSA-N 2 1 224.348 1.190 20 0 BDADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169126787 969434637 /nfs/dbraw/zinc/43/46/37/969434637.db2.gz XPKOHCMWHSJTIP-WUHRBBMRSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126787 969434639 /nfs/dbraw/zinc/43/46/39/969434639.db2.gz XPKOHCMWHSJTIP-WUHRBBMRSA-N 2 1 208.349 1.953 20 0 BDADMP C[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126787 969434646 /nfs/dbraw/zinc/43/46/46/969434646.db2.gz XPKOHCMWHSJTIP-WUHRBBMRSA-N 2 1 208.349 1.953 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(COC3)C1)C2 ZINC001169131668 969437324 /nfs/dbraw/zinc/43/73/24/969437324.db2.gz XOHNVLJOBATELO-CLLJXQQHSA-N 2 1 236.359 1.334 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC3(COC3)C1)C2 ZINC001169131668 969437331 /nfs/dbraw/zinc/43/73/31/969437331.db2.gz XOHNVLJOBATELO-CLLJXQQHSA-N 2 1 236.359 1.334 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC3(COC3)C1)C2 ZINC001169131668 969437336 /nfs/dbraw/zinc/43/73/36/969437336.db2.gz XOHNVLJOBATELO-CLLJXQQHSA-N 2 1 236.359 1.334 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169111360 969443153 /nfs/dbraw/zinc/44/31/53/969443153.db2.gz OZIIYFKESFVPLC-HTVCTNPSSA-N 2 1 237.391 1.471 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169111360 969443161 /nfs/dbraw/zinc/44/31/61/969443161.db2.gz OZIIYFKESFVPLC-HTVCTNPSSA-N 3 1 237.391 1.471 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169111360 969443175 /nfs/dbraw/zinc/44/31/75/969443175.db2.gz OZIIYFKESFVPLC-HTVCTNPSSA-N 3 1 237.391 1.471 20 0 BDADMP CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107427 969445456 /nfs/dbraw/zinc/44/54/56/969445456.db2.gz GMWZRWSJVLPFRM-YIYPIFLZSA-N 2 1 240.391 1.608 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169111361 969448371 /nfs/dbraw/zinc/44/83/71/969448371.db2.gz OZIIYFKESFVPLC-YHQUGGNUSA-N 2 1 237.391 1.471 20 0 BDADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169111361 969448376 /nfs/dbraw/zinc/44/83/76/969448376.db2.gz OZIIYFKESFVPLC-YHQUGGNUSA-N 3 1 237.391 1.471 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C2 ZINC001169111361 969448383 /nfs/dbraw/zinc/44/83/83/969448383.db2.gz OZIIYFKESFVPLC-YHQUGGNUSA-N 3 1 237.391 1.471 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169142175 969455560 /nfs/dbraw/zinc/45/55/60/969455560.db2.gz AJBVOQUIMZROFI-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142175 969455572 /nfs/dbraw/zinc/45/55/72/969455572.db2.gz AJBVOQUIMZROFI-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169142175 969455579 /nfs/dbraw/zinc/45/55/79/969455579.db2.gz AJBVOQUIMZROFI-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142175 969455591 /nfs/dbraw/zinc/45/55/91/969455591.db2.gz AJBVOQUIMZROFI-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[C@@H]1C[C@H](O)CC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142175 969455600 /nfs/dbraw/zinc/45/56/00/969455600.db2.gz AJBVOQUIMZROFI-PEBLQZBPSA-N 2 1 238.375 1.457 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C2 ZINC001169114090 969458943 /nfs/dbraw/zinc/45/89/43/969458943.db2.gz WQQMHYKTLKRCPD-NZEXEKPDSA-N 2 1 238.375 1.361 20 0 BDADMP C[N@@H+](CC1COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148829 969460586 /nfs/dbraw/zinc/46/05/86/969460586.db2.gz ZYJMVZQJQAIFLE-CLLJXQQHSA-N 2 1 224.348 1.190 20 0 BDADMP C[NH+](CC1COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148829 969460588 /nfs/dbraw/zinc/46/05/88/969460588.db2.gz ZYJMVZQJQAIFLE-CLLJXQQHSA-N 2 1 224.348 1.190 20 0 BDADMP C[NH+](CC1COC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148829 969460593 /nfs/dbraw/zinc/46/05/93/969460593.db2.gz ZYJMVZQJQAIFLE-CLLJXQQHSA-N 2 1 224.348 1.190 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001169143092 969468680 /nfs/dbraw/zinc/46/86/80/969468680.db2.gz XMNYLNKANZBLTO-PPCPHDFISA-N 2 1 222.332 1.085 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001169143092 969468689 /nfs/dbraw/zinc/46/86/89/969468689.db2.gz XMNYLNKANZBLTO-PPCPHDFISA-N 2 1 222.332 1.085 20 0 BDADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001169143092 969468701 /nfs/dbraw/zinc/46/87/01/969468701.db2.gz XMNYLNKANZBLTO-PPCPHDFISA-N 2 1 222.332 1.085 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209424949 969491221 /nfs/dbraw/zinc/49/12/21/969491221.db2.gz CNCAHSVPYMFBRD-VXGBXAGGSA-N 2 1 208.349 1.813 20 0 BDADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC001169266185 969525447 /nfs/dbraw/zinc/52/54/47/969525447.db2.gz TUWLQWOKVCDPJR-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC001169266185 969525452 /nfs/dbraw/zinc/52/54/52/969525452.db2.gz TUWLQWOKVCDPJR-CQSZACIVSA-N 2 1 240.391 1.972 20 0 BDADMP CC[NH+]1CCC([NH2+]C[C@H](O)c2ccncc2)CC1 ZINC001169241464 969532289 /nfs/dbraw/zinc/53/22/89/969532289.db2.gz KTWWJMKUWGQAEO-AWEZNQCLSA-N 2 1 249.358 1.189 20 0 BDADMP CCOC1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001169255308 969544635 /nfs/dbraw/zinc/54/46/35/969544635.db2.gz PIWUHHKOYKOSTM-UHFFFAOYSA-N 2 1 240.391 1.972 20 0 BDADMP Nc1cc[nH+]cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001209730791 969586264 /nfs/dbraw/zinc/58/62/64/969586264.db2.gz IVMOLEDSYNFVSV-ZDUSSCGKSA-N 2 1 246.358 1.164 20 0 BDADMP C[C@]1(CF)CC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730592 969586843 /nfs/dbraw/zinc/58/68/43/969586843.db2.gz ZCGORZKOWVUBCF-GFCCVEGCSA-N 2 1 223.295 1.676 20 0 BDADMP C[C@]1(CF)CC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730592 969586850 /nfs/dbraw/zinc/58/68/50/969586850.db2.gz ZCGORZKOWVUBCF-GFCCVEGCSA-N 2 1 223.295 1.676 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(Cc3c[nH+]ccc3N)C2)C1 ZINC001209737409 969598794 /nfs/dbraw/zinc/59/87/94/969598794.db2.gz NJNZRNWOEHGQKN-AWEZNQCLSA-N 2 1 246.358 1.022 20 0 BDADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254387171 969603655 /nfs/dbraw/zinc/60/36/55/969603655.db2.gz GAFSOMOHYBUBIX-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254387171 969603660 /nfs/dbraw/zinc/60/36/60/969603660.db2.gz GAFSOMOHYBUBIX-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254387171 969603662 /nfs/dbraw/zinc/60/36/62/969603662.db2.gz GAFSOMOHYBUBIX-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](C2CCc3ccccc3CC2)C1 ZINC001254450276 969643694 /nfs/dbraw/zinc/64/36/94/969643694.db2.gz LHEVSRNAXZEINH-CQSZACIVSA-N 2 1 230.355 1.967 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001254450276 969643703 /nfs/dbraw/zinc/64/37/03/969643703.db2.gz LHEVSRNAXZEINH-CQSZACIVSA-N 2 1 230.355 1.967 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]C2CC3(COC3)C2)CC1 ZINC001254504011 969665653 /nfs/dbraw/zinc/66/56/53/969665653.db2.gz QHJBRRMADUGHRV-NSHDSACASA-N 2 1 224.348 1.239 20 0 BDADMP CCCN(CCC[NH3+])[C@H]1CCC[N@@H+](C)CC1 ZINC001254501040 969666927 /nfs/dbraw/zinc/66/69/27/969666927.db2.gz PKAHMJBEEQHYEV-ZDUSSCGKSA-N 2 1 227.396 1.532 20 0 BDADMP CCC[N@H+](CCC[NH3+])[C@H]1CCC[NH+](C)CC1 ZINC001254501040 969666936 /nfs/dbraw/zinc/66/69/36/969666936.db2.gz PKAHMJBEEQHYEV-ZDUSSCGKSA-N 3 1 227.396 1.532 20 0 BDADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCC[NH+](C)CC1 ZINC001254501040 969666942 /nfs/dbraw/zinc/66/69/42/969666942.db2.gz PKAHMJBEEQHYEV-ZDUSSCGKSA-N 3 1 227.396 1.532 20 0 BDADMP CCC[NH+](CCC[NH3+])[C@H]1CCC[N@H+](C)CC1 ZINC001254501040 969666945 /nfs/dbraw/zinc/66/69/45/969666945.db2.gz PKAHMJBEEQHYEV-ZDUSSCGKSA-N 3 1 227.396 1.532 20 0 BDADMP CCC[NH+](CCC[NH3+])[C@H]1CCC[N@@H+](C)CC1 ZINC001254501040 969666953 /nfs/dbraw/zinc/66/69/53/969666953.db2.gz PKAHMJBEEQHYEV-ZDUSSCGKSA-N 3 1 227.396 1.532 20 0 BDADMP C[N@H+]1CCC[C@H](N(CC[NH3+])c2cccnc2)CC1 ZINC001254503653 969668974 /nfs/dbraw/zinc/66/89/74/969668974.db2.gz OJLNRGPZKDOGKW-ZDUSSCGKSA-N 2 1 248.374 1.331 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC(=O)C2)CC1 ZINC001254506861 969671109 /nfs/dbraw/zinc/67/11/09/969671109.db2.gz BROCYHXRHMNVSG-NWDGAFQWSA-N 2 1 224.348 1.572 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC(=O)C2)CC1 ZINC001254506861 969671111 /nfs/dbraw/zinc/67/11/11/969671111.db2.gz BROCYHXRHMNVSG-NWDGAFQWSA-N 2 1 224.348 1.572 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2C=C(N)C=CC2)CC1 ZINC001254507763 969679612 /nfs/dbraw/zinc/67/96/12/969679612.db2.gz DBFHAUCPKHBLNP-GFCCVEGCSA-N 2 1 207.321 1.143 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2C=C(N)C=CC2)CC1 ZINC001254507763 969679619 /nfs/dbraw/zinc/67/96/19/969679619.db2.gz DBFHAUCPKHBLNP-GFCCVEGCSA-N 2 1 207.321 1.143 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2C=C(N)C=CC2)CC1 ZINC001254507763 969679623 /nfs/dbraw/zinc/67/96/23/969679623.db2.gz DBFHAUCPKHBLNP-GFCCVEGCSA-N 2 1 207.321 1.143 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2C=C(N)C=CC2)CC1 ZINC001254507763 969679630 /nfs/dbraw/zinc/67/96/30/969679630.db2.gz DBFHAUCPKHBLNP-GFCCVEGCSA-N 2 1 207.321 1.143 20 0 BDADMP CO[C@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254515767 969679921 /nfs/dbraw/zinc/67/99/21/969679921.db2.gz CMVSBJUPGULHHZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254515767 969679928 /nfs/dbraw/zinc/67/99/28/969679928.db2.gz CMVSBJUPGULHHZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CO[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254515767 969679936 /nfs/dbraw/zinc/67/99/36/969679936.db2.gz CMVSBJUPGULHHZ-STQMWFEESA-N 2 1 226.364 1.582 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254510512 969682977 /nfs/dbraw/zinc/68/29/77/969682977.db2.gz XFAXLIYHACQEJG-LBPRGKRZSA-N 2 1 226.364 1.818 20 0 BDADMP CC(=O)CC(C)(C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254510512 969682985 /nfs/dbraw/zinc/68/29/85/969682985.db2.gz XFAXLIYHACQEJG-LBPRGKRZSA-N 2 1 226.364 1.818 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH2+][C@@H](CO)c2cccnc2)CC1 ZINC001254514560 969688847 /nfs/dbraw/zinc/68/88/47/969688847.db2.gz MLNCDZRECSWRFF-KBPBESRZSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H](CO)c2cccnc2)CC1 ZINC001254514560 969688853 /nfs/dbraw/zinc/68/88/53/969688853.db2.gz MLNCDZRECSWRFF-KBPBESRZSA-N 2 1 249.358 1.189 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](O)CC2)CC1 ZINC001254516461 969691267 /nfs/dbraw/zinc/69/12/67/969691267.db2.gz MPMTZMSEJRHHLA-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001254516461 969691271 /nfs/dbraw/zinc/69/12/71/969691271.db2.gz MPMTZMSEJRHHLA-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](O)CC2)CC1 ZINC001254516461 969691276 /nfs/dbraw/zinc/69/12/76/969691276.db2.gz MPMTZMSEJRHHLA-OLZOCXBDSA-N 2 1 226.364 1.318 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+]CCOc2ccncc2)CC1 ZINC001254515331 969691514 /nfs/dbraw/zinc/69/15/14/969691514.db2.gz WEYLHJWDHFQLBK-ZDUSSCGKSA-N 2 1 249.358 1.534 20 0 BDADMP C[N@@H+](C1CCOCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254516834 969701945 /nfs/dbraw/zinc/70/19/45/969701945.db2.gz QKRUQKRHTWAWIY-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](C1CCOCC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254516834 969701952 /nfs/dbraw/zinc/70/19/52/969701952.db2.gz QKRUQKRHTWAWIY-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[NH+](C1CCOCC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516834 969701955 /nfs/dbraw/zinc/70/19/55/969701955.db2.gz QKRUQKRHTWAWIY-GFCCVEGCSA-N 2 1 226.364 1.582 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CCOC3(CC3)C2)CC1 ZINC001254531744 969729498 /nfs/dbraw/zinc/72/94/98/969729498.db2.gz LAZASWHMYMEBQR-GFCCVEGCSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCOC3(CC3)C2)CC1 ZINC001254531744 969729505 /nfs/dbraw/zinc/72/95/05/969729505.db2.gz LAZASWHMYMEBQR-GFCCVEGCSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CCOC3(CC3)C2)CC1 ZINC001254531744 969729514 /nfs/dbraw/zinc/72/95/14/969729514.db2.gz LAZASWHMYMEBQR-GFCCVEGCSA-N 2 1 224.348 1.336 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CCOC3(CC3)C2)CC1 ZINC001254531744 969729519 /nfs/dbraw/zinc/72/95/19/969729519.db2.gz LAZASWHMYMEBQR-GFCCVEGCSA-N 2 1 224.348 1.336 20 0 BDADMP C[N@H+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254860798 969811610 /nfs/dbraw/zinc/81/16/10/969811610.db2.gz NPBKUOYFRPREHX-QLFBSQMISA-N 2 1 249.402 1.249 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254860798 969811614 /nfs/dbraw/zinc/81/16/14/969811614.db2.gz NPBKUOYFRPREHX-QLFBSQMISA-N 2 1 249.402 1.249 20 0 BDADMP [NH3+]CCc1c[nH+]cn1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254914291 969818461 /nfs/dbraw/zinc/81/84/61/969818461.db2.gz KXPNNZZVRHDIDN-IAZYJMLFSA-N 2 1 233.315 1.315 20 0 BDADMP Cc1cc(-n2ccc(C[NH3+])c2)c2[nH+]ccn2c1 ZINC001169726329 969820178 /nfs/dbraw/zinc/82/01/78/969820178.db2.gz SGQDGUKVKYDBFT-UHFFFAOYSA-N 2 1 226.283 1.892 20 0 BDADMP c1ccc([C@@H]2CNCC[N@@H+]2CCC2C[NH2+]C2)cc1 ZINC001210197127 969829816 /nfs/dbraw/zinc/82/98/16/969829816.db2.gz VYXZANXHPOZFEZ-HNNXBMFYSA-N 2 1 245.370 1.242 20 0 BDADMP c1ccc([C@@H]2C[NH2+]CCN2CCC2C[NH2+]C2)cc1 ZINC001210197127 969829818 /nfs/dbraw/zinc/82/98/18/969829818.db2.gz VYXZANXHPOZFEZ-HNNXBMFYSA-N 2 1 245.370 1.242 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476003 969899310 /nfs/dbraw/zinc/89/93/10/969899310.db2.gz QTLJQMJQCUVQPT-QWHCGFSZSA-N 3 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001210476003 969899315 /nfs/dbraw/zinc/89/93/15/969899315.db2.gz QTLJQMJQCUVQPT-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC001210476003 969899317 /nfs/dbraw/zinc/89/93/17/969899317.db2.gz QTLJQMJQCUVQPT-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001210476003 969899319 /nfs/dbraw/zinc/89/93/19/969899319.db2.gz QTLJQMJQCUVQPT-QWHCGFSZSA-N 2 1 225.380 1.060 20 0 BDADMP C[NH2+][C@@H]1CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001156660435 969973363 /nfs/dbraw/zinc/97/33/63/969973363.db2.gz RYAPEPKXMIRPFM-ZDUSSCGKSA-N 2 1 246.358 1.433 20 0 BDADMP C[NH2+][C@@H]1CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001156661348 969974905 /nfs/dbraw/zinc/97/49/05/969974905.db2.gz WHSDXVZUWSTSLZ-ZDUSSCGKSA-N 2 1 246.358 1.431 20 0 BDADMP C[NH2+][C@@H]1CCN1c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001156661348 969974920 /nfs/dbraw/zinc/97/49/20/969974920.db2.gz WHSDXVZUWSTSLZ-ZDUSSCGKSA-N 2 1 246.358 1.431 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCSC1 ZINC001255268468 970016515 /nfs/dbraw/zinc/01/65/15/970016515.db2.gz KJXUJPRSRUPLNK-SNVBAGLBSA-N 2 1 202.367 1.551 20 0 BDADMP CC1(C)C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1[NH3+] ZINC000690393442 970032923 /nfs/dbraw/zinc/03/29/23/970032923.db2.gz YVGKRAGYQRZWBB-QWRGUYRKSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1[NH3+] ZINC000690393442 970032928 /nfs/dbraw/zinc/03/29/28/970032928.db2.gz YVGKRAGYQRZWBB-QWRGUYRKSA-N 2 1 212.337 1.082 20 0 BDADMP CC1(C)C[N@H+](C[C@H]2CCCOC2)C[C@@H]1[NH3+] ZINC000690393441 970034160 /nfs/dbraw/zinc/03/41/60/970034160.db2.gz YVGKRAGYQRZWBB-MNOVXSKESA-N 2 1 212.337 1.082 20 0 BDADMP CCN1CCC([N@@H+](C)[C@H]2CCSC2)CC1 ZINC001255289985 970048686 /nfs/dbraw/zinc/04/86/86/970048686.db2.gz UUEJMEVUSVAZEB-LBPRGKRZSA-N 2 1 228.405 1.908 20 0 BDADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCSC2)CC1 ZINC001255289985 970048694 /nfs/dbraw/zinc/04/86/94/970048694.db2.gz UUEJMEVUSVAZEB-LBPRGKRZSA-N 2 1 228.405 1.908 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCSC2)CC1 ZINC001255289985 970048704 /nfs/dbraw/zinc/04/87/04/970048704.db2.gz UUEJMEVUSVAZEB-LBPRGKRZSA-N 2 1 228.405 1.908 20 0 BDADMP Cc1cc(NC[C@H]2COCC[NH2+]2)c2[nH+]ccn2c1 ZINC001170043062 970062932 /nfs/dbraw/zinc/06/29/32/970062932.db2.gz DWUMSLNONPMTGJ-NSHDSACASA-N 2 1 246.314 1.043 20 0 BDADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001255337110 970118436 /nfs/dbraw/zinc/11/84/36/970118436.db2.gz AEWPWFUJNRHGOT-GHMZBOCLSA-N 2 1 242.363 1.435 20 0 BDADMP C[N@H+]1CC[C@H](N2C(C)(C)CC([NH3+])CC2(C)C)C1 ZINC001255410817 970131396 /nfs/dbraw/zinc/13/13/96/970131396.db2.gz BGEHDYBIPLNYDV-LBPRGKRZSA-N 2 1 239.407 1.671 20 0 BDADMP CN1CC[C@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)C1 ZINC001255410817 970131400 /nfs/dbraw/zinc/13/14/00/970131400.db2.gz BGEHDYBIPLNYDV-LBPRGKRZSA-N 2 1 239.407 1.671 20 0 BDADMP CCCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)C1 ZINC001255412139 970132498 /nfs/dbraw/zinc/13/24/98/970132498.db2.gz LLCPZINSDLWQCX-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP CCCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)C1 ZINC001255412139 970132504 /nfs/dbraw/zinc/13/25/04/970132504.db2.gz LLCPZINSDLWQCX-CYBMUJFWSA-N 2 1 227.396 1.402 20 0 BDADMP C[N@@H+]1CC[C@H](NC(=[NH2+])c2cc(F)cc(F)c2)C1 ZINC001255413086 970136435 /nfs/dbraw/zinc/13/64/35/970136435.db2.gz WZPAZXSYKBBQOF-NSHDSACASA-N 2 1 239.269 1.584 20 0 BDADMP C[N@H+]1CC[C@H](NC(=[NH2+])c2cc(F)cc(F)c2)C1 ZINC001255413086 970136439 /nfs/dbraw/zinc/13/64/39/970136439.db2.gz WZPAZXSYKBBQOF-NSHDSACASA-N 2 1 239.269 1.584 20 0 BDADMP C[N@H+]1CC[C@H](n2ncc3cccc(C[NH3+])c32)C1 ZINC001255417736 970139539 /nfs/dbraw/zinc/13/95/39/970139539.db2.gz OVHVOHGAXQLWSG-LBPRGKRZSA-N 2 1 230.315 1.372 20 0 BDADMP C[N@H+]1CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC001255433337 970159681 /nfs/dbraw/zinc/15/96/81/970159681.db2.gz YOLYYEGRCCFBFT-AWEZNQCLSA-N 2 1 237.391 1.251 20 0 BDADMP CC(C)[C@H]1[NH2+]CCc2ncn([C@@H]3CC[N@@H+](C)C3)c21 ZINC001255444529 970180529 /nfs/dbraw/zinc/18/05/29/970180529.db2.gz MUYNXENSNLSPDS-DGCLKSJQSA-N 2 1 248.374 1.603 20 0 BDADMP C[C@@H]([NH3+])c1nccn1[C@H]1CCC[N@@H+](C)C1 ZINC001255466200 970193315 /nfs/dbraw/zinc/19/33/15/970193315.db2.gz IYDRKRMTTOCQGP-ZJUUUORDSA-N 2 1 208.309 1.170 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CC[C@@H]([NH3+])c3ccccc32)C1 ZINC001255472333 970201940 /nfs/dbraw/zinc/20/19/40/970201940.db2.gz UGGLZQBWUWDNFR-TZMCWYRMSA-N 2 1 245.370 1.991 20 0 BDADMP COc1ccc(N[C@H]2CCC[N@@H+](C)C2)cc1C[NH3+] ZINC001255476922 970211984 /nfs/dbraw/zinc/21/19/84/970211984.db2.gz HWPHHAWLAMRSCO-ZDUSSCGKSA-N 2 1 249.358 1.660 20 0 BDADMP COc1ccc(N[C@@H]2CCC[N@@H+](C)C2)cc1C[NH3+] ZINC001255476921 970213714 /nfs/dbraw/zinc/21/37/14/970213714.db2.gz HWPHHAWLAMRSCO-CYBMUJFWSA-N 2 1 249.358 1.660 20 0 BDADMP CCN(CC[NH+](CC)CC)[C@@H]1CCC[N@@H+](C)C1 ZINC001255486696 970239876 /nfs/dbraw/zinc/23/98/76/970239876.db2.gz NWXKBEXXSPUSCF-CQSZACIVSA-N 2 1 241.423 1.744 20 0 BDADMP C[N@H+]1CCC[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001255490381 970242834 /nfs/dbraw/zinc/24/28/34/970242834.db2.gz VGCDZLJLVKEJHP-OLZOCXBDSA-N 2 1 248.374 1.617 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC2(CC1)OCCO2 ZINC001255617580 970402313 /nfs/dbraw/zinc/40/23/13/970402313.db2.gz OMJIEGYSIOKJGC-NSHDSACASA-N 2 1 242.363 1.199 20 0 BDADMP CSC[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000400072209 970551822 /nfs/dbraw/zinc/55/18/22/970551822.db2.gz HZDDYAZZVUXTIY-WOPDTQHZSA-N 2 1 228.405 1.669 20 0 BDADMP C[C@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400382459 970585116 /nfs/dbraw/zinc/58/51/16/970585116.db2.gz KRZNXXGLCFVOLF-YUMQZZPRSA-N 2 1 242.310 1.970 20 0 BDADMP CC[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC001170235519 970608232 /nfs/dbraw/zinc/60/82/32/970608232.db2.gz MZYBPFXTWKDSOJ-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCO1 ZINC001170235519 970608241 /nfs/dbraw/zinc/60/82/41/970608241.db2.gz MZYBPFXTWKDSOJ-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP CC[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCO1 ZINC001170235519 970608251 /nfs/dbraw/zinc/60/82/51/970608251.db2.gz MZYBPFXTWKDSOJ-RQJABVFESA-N 2 1 238.375 1.437 20 0 BDADMP CCCC[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256067189 970632397 /nfs/dbraw/zinc/63/23/97/970632397.db2.gz FFEMMJXPJXOQTE-ZDUSSCGKSA-N 2 1 240.391 1.754 20 0 BDADMP C[N@H+](CC1(C)COC1)C1CC[NH+](C2CC2)CC1 ZINC001256076109 970651335 /nfs/dbraw/zinc/65/13/35/970651335.db2.gz BCLMSJZATQOBCI-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@@H+](CC1(C)COC1)C1CC[NH+](C2CC2)CC1 ZINC001256076109 970651356 /nfs/dbraw/zinc/65/13/56/970651356.db2.gz BCLMSJZATQOBCI-UHFFFAOYSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CCC([NH2+]CCOc2ccccn2)CC1 ZINC001256196258 970690676 /nfs/dbraw/zinc/69/06/76/970690676.db2.gz CWSCSWPWSXBCOT-UHFFFAOYSA-N 2 1 235.331 1.144 20 0 BDADMP C[NH+]1CCC([NH2+]CCOc2cccnc2)CC1 ZINC001256196708 970691645 /nfs/dbraw/zinc/69/16/45/970691645.db2.gz WDIUQXZLTINYJG-UHFFFAOYSA-N 2 1 235.331 1.144 20 0 BDADMP CCOC(=O)CC1([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256201583 970694345 /nfs/dbraw/zinc/69/43/45/970694345.db2.gz IDIKTDNJDXSWFF-UHFFFAOYSA-N 2 1 240.347 1.156 20 0 BDADMP C[NH+]1CCC(NCc2[nH+]cn3ccccc23)CC1 ZINC001256199420 970697419 /nfs/dbraw/zinc/69/74/19/970697419.db2.gz PVINJZDRIQZEFX-UHFFFAOYSA-N 2 1 244.342 1.518 20 0 BDADMP C[NH+]1CCC(N[C@@]2(C)CCC[N@H+](C)C2)CC1 ZINC001256202117 970697978 /nfs/dbraw/zinc/69/79/78/970697978.db2.gz YFGRVVXBEDEBLF-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP C[NH+]1CCC(N[C@@]2(C)CCC[N@@H+](C)C2)CC1 ZINC001256202117 970697988 /nfs/dbraw/zinc/69/79/88/970697988.db2.gz YFGRVVXBEDEBLF-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001256203225 970701981 /nfs/dbraw/zinc/70/19/81/970701981.db2.gz UFYWMNWDKUCISA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@]1(C)O ZINC001256203225 970701985 /nfs/dbraw/zinc/70/19/85/970701985.db2.gz UFYWMNWDKUCISA-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC(N2CC3(C2)CC[NH+](C)CC3)CC1 ZINC001256211235 970716643 /nfs/dbraw/zinc/71/66/43/970716643.db2.gz SKPYCWAVRNWRRP-UHFFFAOYSA-N 2 1 237.391 1.108 20 0 BDADMP C[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C)CO1 ZINC001256210170 970718252 /nfs/dbraw/zinc/71/82/52/970718252.db2.gz GDAYZOAQVIJZBH-GHMZBOCLSA-N 2 1 212.337 1.190 20 0 BDADMP C[C@@H]1C[N@H+](C2CCN(C)CC2)[C@H](C)CO1 ZINC001256210170 970718259 /nfs/dbraw/zinc/71/82/59/970718259.db2.gz GDAYZOAQVIJZBH-GHMZBOCLSA-N 2 1 212.337 1.190 20 0 BDADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401868002 970744462 /nfs/dbraw/zinc/74/44/62/970744462.db2.gz AEFOSSZTUWHUGF-UPJWGTAASA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246545289 972630770 /nfs/dbraw/zinc/63/07/70/972630770.db2.gz ASNPHBOTKZCUNO-UPJWGTAASA-N 3 1 243.370 1.280 20 0 BDADMP C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246547363 972672654 /nfs/dbraw/zinc/67/26/54/972672654.db2.gz CSWRJCXTBNEPDD-IZXDZPFWSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC001246547363 972672663 /nfs/dbraw/zinc/67/26/63/972672663.db2.gz CSWRJCXTBNEPDD-IZXDZPFWSA-N 3 1 237.391 1.186 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(O)C2)CC[NH2+]1 ZINC001246548268 972682470 /nfs/dbraw/zinc/68/24/70/972682470.db2.gz JYPVBDCPYCPAND-AGIUHOORSA-N 2 1 226.364 1.364 20 0 BDADMP C[N@H+]1CCC[C@H](N2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550979 972721408 /nfs/dbraw/zinc/72/14/08/972721408.db2.gz ZOHNJRWPGCCYDB-STQMWFEESA-N 2 1 225.380 1.284 20 0 BDADMP C[N@@H+]1CCC[C@H]([NH+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550979 972721418 /nfs/dbraw/zinc/72/14/18/972721418.db2.gz ZOHNJRWPGCCYDB-STQMWFEESA-N 3 1 225.380 1.284 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550979 972721429 /nfs/dbraw/zinc/72/14/29/972721429.db2.gz ZOHNJRWPGCCYDB-STQMWFEESA-N 3 1 225.380 1.284 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550979 972721436 /nfs/dbraw/zinc/72/14/36/972721436.db2.gz ZOHNJRWPGCCYDB-STQMWFEESA-N 3 1 225.380 1.284 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246550979 972721446 /nfs/dbraw/zinc/72/14/46/972721446.db2.gz ZOHNJRWPGCCYDB-STQMWFEESA-N 3 1 225.380 1.284 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CCO1 ZINC001246554135 972743014 /nfs/dbraw/zinc/74/30/14/972743014.db2.gz BFXKEIXTBAJZEP-RWMBFGLXSA-N 2 1 244.354 1.707 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556105 972759302 /nfs/dbraw/zinc/75/93/02/972759302.db2.gz YKIHAHFHOBAKJM-FRRDWIJNSA-N 3 1 225.380 1.330 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246556105 972759308 /nfs/dbraw/zinc/75/93/08/972759308.db2.gz YKIHAHFHOBAKJM-FRRDWIJNSA-N 3 1 225.380 1.330 20 0 BDADMP C[NH2+][C@H](C)CCNCc1ccc2c(c1)C[NH2+]CC2 ZINC001327888791 972787912 /nfs/dbraw/zinc/78/79/12/972787912.db2.gz LRDNUISDLNBXFF-GFCCVEGCSA-N 2 1 247.386 1.420 20 0 BDADMP CC(C)([NH3+])CNc1cc[nH+]c(N2CCCC2)n1 ZINC001171188431 972833781 /nfs/dbraw/zinc/83/37/81/972833781.db2.gz HAWPROBCROCBAN-UHFFFAOYSA-N 2 1 235.335 1.226 20 0 BDADMP Cc1[nH+]ccn1-c1cc(NCC(C)(C)[NH3+])ncn1 ZINC001171188485 972835079 /nfs/dbraw/zinc/83/50/79/972835079.db2.gz KKKCTTXUCCAAHQ-UHFFFAOYSA-N 2 1 246.318 1.120 20 0 BDADMP C[NH+](C)C1(C)CN(Cc2[nH+]cn3ccccc23)C1 ZINC001144624713 972890629 /nfs/dbraw/zinc/89/06/29/972890629.db2.gz REMPAQYFHUZOAW-UHFFFAOYSA-N 2 1 244.342 1.470 20 0 BDADMP CO[C@H]1CCC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637730 973053477 /nfs/dbraw/zinc/05/34/77/973053477.db2.gz JAMYRKQKNUTUBY-WUHRBBMRSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H]1CC([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246660249 973066827 /nfs/dbraw/zinc/06/68/27/973066827.db2.gz CTJYFWWDPXBBEW-CIQGVGRVSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1CC([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246660249 973066836 /nfs/dbraw/zinc/06/68/36/973066836.db2.gz CTJYFWWDPXBBEW-CIQGVGRVSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1CC([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246660266 973067536 /nfs/dbraw/zinc/06/75/36/973067536.db2.gz CTJYFWWDPXBBEW-HKUMRIAESA-N 3 1 237.391 1.329 20 0 BDADMP C[C@@H]1CC([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246660266 973067554 /nfs/dbraw/zinc/06/75/54/973067554.db2.gz CTJYFWWDPXBBEW-HKUMRIAESA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1C[C@H](N2CC3(C2)CCC[NH2+]CC3)CC[NH2+]1 ZINC001246853840 973158647 /nfs/dbraw/zinc/15/86/47/973158647.db2.gz LRTGHJFATGHKJC-QWHCGFSZSA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)COCC[C@H](C)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854624 973175640 /nfs/dbraw/zinc/17/56/40/973175640.db2.gz QLSDCLYMDWMWMO-MJBXVCDLSA-N 2 1 240.391 1.861 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC001246870733 973253895 /nfs/dbraw/zinc/25/38/95/973253895.db2.gz OWNNTWJTNCUOIA-JSGCOSHPSA-N 2 1 214.312 1.187 20 0 BDADMP [NH3+][C@]12C[C@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC001246870733 973253912 /nfs/dbraw/zinc/25/39/12/973253912.db2.gz OWNNTWJTNCUOIA-JSGCOSHPSA-N 2 1 214.312 1.187 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1[C@H]1CCCOC1 ZINC001246928578 973577540 /nfs/dbraw/zinc/57/75/40/973577540.db2.gz AOOUNCXAFIAAPF-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C1[C@@H]2CC[NH2+]CC[C@@H]2C[N@@H+]1C1CCOCC1 ZINC001246934344 973604201 /nfs/dbraw/zinc/60/42/01/973604201.db2.gz USLJCUDHTWVZKO-TXEJJXNPSA-N 2 1 224.348 1.097 20 0 BDADMP CC(C)[N@H+]1CC[C@H](OCC2CC[NH+](C)CC2)C1 ZINC001224455781 973658548 /nfs/dbraw/zinc/65/85/48/973658548.db2.gz WDBWIDYEYRHOSJ-AWEZNQCLSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC(OC[C@@H]2CCC[N@H+]2C)CC1 ZINC001224821121 974005042 /nfs/dbraw/zinc/00/50/42/974005042.db2.gz ZKPZXWIMOKUXBH-LBPRGKRZSA-N 2 1 226.364 1.582 20 0 BDADMP [NH3+]CC1([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171418305 974031864 /nfs/dbraw/zinc/03/18/64/974031864.db2.gz IZAYBHIJYSABJL-LLVKDONJSA-N 2 1 234.318 1.764 20 0 BDADMP Cc1cc(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc(C)[nH+]1 ZINC001329939840 974046330 /nfs/dbraw/zinc/04/63/30/974046330.db2.gz VZNBIMQUUWJUKJ-WDEREUQCSA-N 2 1 248.330 1.074 20 0 BDADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1)C(F)(F)F ZINC001206152768 974233071 /nfs/dbraw/zinc/23/30/71/974233071.db2.gz ARVNSVNSRHGJGT-HRDYMLBCSA-N 2 1 242.260 1.946 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCc2ccccc2)CC[C@@H]1F ZINC001206154140 974316890 /nfs/dbraw/zinc/31/68/90/974316890.db2.gz GVRMTOUQRNHWPG-UONOGXRCSA-N 2 1 236.334 1.990 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccccc2)CC[C@@H]1F ZINC001206154140 974316903 /nfs/dbraw/zinc/31/69/03/974316903.db2.gz GVRMTOUQRNHWPG-UONOGXRCSA-N 2 1 236.334 1.990 20 0 BDADMP N[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC001206156165 974338490 /nfs/dbraw/zinc/33/84/90/974338490.db2.gz OKWWGVFFGFRPEH-CHWSQXEVSA-N 2 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC001206156165 974338500 /nfs/dbraw/zinc/33/85/00/974338500.db2.gz OKWWGVFFGFRPEH-CHWSQXEVSA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC001206156165 974338508 /nfs/dbraw/zinc/33/85/08/974338508.db2.gz OKWWGVFFGFRPEH-CHWSQXEVSA-N 3 1 243.370 1.137 20 0 BDADMP N[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1F ZINC001206156181 974338606 /nfs/dbraw/zinc/33/86/06/974338606.db2.gz OKWWGVFFGFRPEH-QWHCGFSZSA-N 2 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1F ZINC001206156181 974338620 /nfs/dbraw/zinc/33/86/20/974338620.db2.gz OKWWGVFFGFRPEH-QWHCGFSZSA-N 3 1 243.370 1.137 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H]1F ZINC001206156181 974338629 /nfs/dbraw/zinc/33/86/29/974338629.db2.gz OKWWGVFFGFRPEH-QWHCGFSZSA-N 3 1 243.370 1.137 20 0 BDADMP Cn1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172099443 974339506 /nfs/dbraw/zinc/33/95/06/974339506.db2.gz HLWAKLYBNPZXDB-BTTYYORXSA-N 2 1 248.374 1.525 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccnc1C[NH3+])C2 ZINC001172100771 974346182 /nfs/dbraw/zinc/34/61/82/974346182.db2.gz SUFGYTGBEOJMOU-GDNZZTSVSA-N 2 1 234.347 1.530 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H]([NH3+])C1)C2 ZINC001172103760 974366004 /nfs/dbraw/zinc/36/60/04/974366004.db2.gz XMLPJIYEGNAGHA-FVCCEPFGSA-N 2 1 223.364 1.035 20 0 BDADMP C[NH+](C)C1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172113627 974378753 /nfs/dbraw/zinc/37/87/53/974378753.db2.gz LCMCLIWNBPCRAI-ITGUQSILSA-N 2 1 237.391 1.248 20 0 BDADMP C[NH+](C)Cc1ccc(O[C@H]2CC[N@@H+](C)C2)cc1 ZINC001225330718 974406860 /nfs/dbraw/zinc/40/68/60/974406860.db2.gz OMYPISIFHHATND-AWEZNQCLSA-N 2 1 234.343 1.831 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235482 974495182 /nfs/dbraw/zinc/49/51/82/974495182.db2.gz BCDBSHGDEXYZMC-WYTNZGFTSA-N 2 1 236.359 1.402 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235482 974495186 /nfs/dbraw/zinc/49/51/86/974495186.db2.gz BCDBSHGDEXYZMC-WYTNZGFTSA-N 2 1 236.359 1.402 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172246212 974509150 /nfs/dbraw/zinc/50/91/50/974509150.db2.gz ZCRCTXVTEGMYKO-AGUYFDCRSA-N 2 1 238.375 1.746 20 0 BDADMP CCOCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172409620 974670319 /nfs/dbraw/zinc/67/03/19/974670319.db2.gz XWMGVRGVPDSLDH-NEPJUHHUSA-N 2 1 214.353 1.343 20 0 BDADMP CCOCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172409866 974671339 /nfs/dbraw/zinc/67/13/39/974671339.db2.gz ALKCRLYXKFYOHK-CHWSQXEVSA-N 2 1 228.380 1.875 20 0 BDADMP CCOCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001172430616 974712665 /nfs/dbraw/zinc/71/26/65/974712665.db2.gz HVANLNBWCSDLOG-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CCOCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001172430616 974712673 /nfs/dbraw/zinc/71/26/73/974712673.db2.gz HVANLNBWCSDLOG-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CCOCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001172430616 974712681 /nfs/dbraw/zinc/71/26/81/974712681.db2.gz HVANLNBWCSDLOG-MCIONIFRSA-N 2 1 240.391 1.685 20 0 BDADMP CC[C@@H](CC(C)C)[N@H+](CC[NH3+])CCO ZINC001172387409 974735145 /nfs/dbraw/zinc/73/51/45/974735145.db2.gz VQLDXIUJHBRADA-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP CC[C@@H](CC(C)C)[N@@H+](CC[NH3+])CCO ZINC001172387409 974735150 /nfs/dbraw/zinc/73/51/50/974735150.db2.gz VQLDXIUJHBRADA-NSHDSACASA-N 2 1 202.342 1.064 20 0 BDADMP [NH3+][C@H]1CC[N@H+](Cc2ccccn2)CC[C@H]1F ZINC001206167493 974887958 /nfs/dbraw/zinc/88/79/58/974887958.db2.gz ZHUHBQIEUXXPNH-NEPJUHHUSA-N 2 1 223.295 1.343 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173581 974902289 /nfs/dbraw/zinc/90/22/89/974902289.db2.gz IKGHEKKVVCVLSV-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173581 974902296 /nfs/dbraw/zinc/90/22/96/974902296.db2.gz IKGHEKKVVCVLSV-CHWSQXEVSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173582 974902994 /nfs/dbraw/zinc/90/29/94/974902994.db2.gz IKGHEKKVVCVLSV-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173582 974902997 /nfs/dbraw/zinc/90/29/97/974902997.db2.gz IKGHEKKVVCVLSV-OLZOCXBDSA-N 2 1 237.322 1.651 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001172941251 974997583 /nfs/dbraw/zinc/99/75/83/974997583.db2.gz DVPKXCJNPYXGKG-QWHCGFSZSA-N 2 1 249.358 1.699 20 0 BDADMP CO[C@@H]1CCC[C@H]([N@@H+]2CCc3[nH+]ccn3CC2)C1 ZINC001172941251 974997588 /nfs/dbraw/zinc/99/75/88/974997588.db2.gz DVPKXCJNPYXGKG-QWHCGFSZSA-N 2 1 249.358 1.699 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ccnc2[C@@H](C)[NH3+])C1 ZINC001173347972 975288239 /nfs/dbraw/zinc/28/82/39/975288239.db2.gz KTSHHOSKJYFGIZ-NXEZZACHSA-N 2 1 208.309 1.170 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001173369415 975350279 /nfs/dbraw/zinc/35/02/79/975350279.db2.gz VUBCNKSAHWTDPH-HZSPNIEDSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001173369415 975350280 /nfs/dbraw/zinc/35/02/80/975350280.db2.gz VUBCNKSAHWTDPH-HZSPNIEDSA-N 2 1 237.391 1.249 20 0 BDADMP CC[NH+]1CC[C@@H](N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001173369415 975350288 /nfs/dbraw/zinc/35/02/88/975350288.db2.gz VUBCNKSAHWTDPH-HZSPNIEDSA-N 2 1 237.391 1.249 20 0 BDADMP CCCN(CCC[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC001173366611 975353380 /nfs/dbraw/zinc/35/33/80/975353380.db2.gz ALEPIHOFYNHKQJ-AWEZNQCLSA-N 2 1 241.423 1.744 20 0 BDADMP CC[N@H+]1CC[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001173371131 975355805 /nfs/dbraw/zinc/35/58/05/975355805.db2.gz KKDJSZILYYJXHD-QWHCGFSZSA-N 2 1 248.374 1.617 20 0 BDADMP COCC(COC)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001333029091 975379413 /nfs/dbraw/zinc/37/94/13/975379413.db2.gz JQRPISTZVHNJHV-LBPRGKRZSA-N 2 1 244.379 1.064 20 0 BDADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001173625752 975488761 /nfs/dbraw/zinc/48/87/61/975488761.db2.gz FFXJPKYTPOZKEZ-WDEREUQCSA-N 2 1 242.363 1.435 20 0 BDADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])C1 ZINC001173625751 975490396 /nfs/dbraw/zinc/49/03/96/975490396.db2.gz FFXJPKYTPOZKEZ-QWRGUYRKSA-N 2 1 242.363 1.435 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001335465602 977074384 /nfs/dbraw/zinc/07/43/84/977074384.db2.gz KJTXKLZABBCQBB-UMNHJUIQSA-N 2 1 228.336 1.010 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001335465602 977074398 /nfs/dbraw/zinc/07/43/98/977074398.db2.gz KJTXKLZABBCQBB-UMNHJUIQSA-N 2 1 228.336 1.010 20 0 BDADMP C[N@H+]1CCC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508847 977227946 /nfs/dbraw/zinc/22/79/46/977227946.db2.gz XVHOBXBSVDUBQX-JTQLQIEISA-N 2 1 246.314 1.618 20 0 BDADMP C[N@@H+]1CCC[C@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230508847 977227958 /nfs/dbraw/zinc/22/79/58/977227958.db2.gz XVHOBXBSVDUBQX-JTQLQIEISA-N 2 1 246.314 1.618 20 0 BDADMP C[N@H+]1CCC[C@H](Oc2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001230508847 977227966 /nfs/dbraw/zinc/22/79/66/977227966.db2.gz XVHOBXBSVDUBQX-JTQLQIEISA-N 2 1 246.314 1.618 20 0 BDADMP C[N@H+]1CC[C@H](N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC000721641231 977633961 /nfs/dbraw/zinc/63/39/61/977633961.db2.gz NNQNCSGVUAJADH-GJZGRUSLSA-N 2 1 245.370 1.076 20 0 BDADMP COC(C)(C)C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001277584964 977794146 /nfs/dbraw/zinc/79/41/46/977794146.db2.gz XNQXMJGRZFNQFV-BETUJISGSA-N 2 1 240.391 1.685 20 0 BDADMP COC(C)(C)C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277584964 977794154 /nfs/dbraw/zinc/79/41/54/977794154.db2.gz XNQXMJGRZFNQFV-BETUJISGSA-N 2 1 240.391 1.685 20 0 BDADMP COC(C)(C)C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277584964 977794163 /nfs/dbraw/zinc/79/41/63/977794163.db2.gz XNQXMJGRZFNQFV-BETUJISGSA-N 2 1 240.391 1.685 20 0 BDADMP CCN(CCC[NH+]1CCCC1)c1cc(N)[nH+]cn1 ZINC001336605332 977807887 /nfs/dbraw/zinc/80/78/87/977807887.db2.gz QSOORVQDRBTVQR-UHFFFAOYSA-N 2 1 249.362 1.371 20 0 BDADMP CC(C)(CNc1cc[nH+]c(N)n1)C[NH+]1CCCC1 ZINC001336622749 977818070 /nfs/dbraw/zinc/81/80/70/977818070.db2.gz YEUDMUGAAGZQIR-UHFFFAOYSA-N 2 1 249.362 1.593 20 0 BDADMP C[C@@]1(O)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232011492 977839435 /nfs/dbraw/zinc/83/94/35/977839435.db2.gz DNNBGJCVWDOJCB-CYBMUJFWSA-N 2 1 231.299 1.520 20 0 BDADMP OC[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232013995 977841022 /nfs/dbraw/zinc/84/10/22/977841022.db2.gz FMKSXRXHHGQLQJ-SNVBAGLBSA-N 2 1 231.299 1.377 20 0 BDADMP COC1(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)CCC1 ZINC001336754319 977923078 /nfs/dbraw/zinc/92/30/78/977923078.db2.gz IDOCFIQXHOBKCS-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)CCC1 ZINC001336754319 977923082 /nfs/dbraw/zinc/92/30/82/977923082.db2.gz IDOCFIQXHOBKCS-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC001336754319 977923088 /nfs/dbraw/zinc/92/30/88/977923088.db2.gz IDOCFIQXHOBKCS-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP COC1(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC001336754319 977923093 /nfs/dbraw/zinc/92/30/93/977923093.db2.gz IDOCFIQXHOBKCS-OLZOCXBDSA-N 2 1 240.391 1.828 20 0 BDADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3)CC[C@@H]21 ZINC001336934044 978070094 /nfs/dbraw/zinc/07/00/94/978070094.db2.gz RGYHMPQPIGNKKY-AAEUAGOBSA-N 2 1 217.316 1.612 20 0 BDADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206292544 978285667 /nfs/dbraw/zinc/28/56/67/978285667.db2.gz CXBYQTQTKJOCRW-AAEUAGOBSA-N 2 1 242.363 1.246 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCCC[NH3+])CC1 ZINC001206293955 978291432 /nfs/dbraw/zinc/29/14/32/978291432.db2.gz IBJCURVKKATKKD-ZDUSSCGKSA-N 3 1 227.396 1.566 20 0 BDADMP C[C@]1(C[NH3+])CCC[N@@H+](CC23CC([NH3+])(C2)C3)CC1 ZINC001206295670 978299454 /nfs/dbraw/zinc/29/94/54/978299454.db2.gz MWERIPATCLYAHB-HSBZDZAISA-N 3 1 237.391 1.319 20 0 BDADMP CC(C)[C@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001177920241 978474447 /nfs/dbraw/zinc/47/44/47/978474447.db2.gz RQTMTSFGYGAQSQ-CYBMUJFWSA-N 2 1 237.347 1.254 20 0 BDADMP CC[C@H](C)[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277807108 978696149 /nfs/dbraw/zinc/69/61/49/978696149.db2.gz KQVIIKMLSSTFLP-MELADBBJSA-N 2 1 239.407 1.353 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000069860931 978765334 /nfs/dbraw/zinc/76/53/34/978765334.db2.gz IIVUJKWTLRGDEG-OLZOCXBDSA-N 2 1 226.364 1.628 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001339669935 978890642 /nfs/dbraw/zinc/89/06/42/978890642.db2.gz JASBBNPYKYJREA-XJFOESAGSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+][C@@H](C)C(C)=O)(C1)CCC2 ZINC001277889777 978903854 /nfs/dbraw/zinc/90/38/54/978903854.db2.gz REYVAPPUZLVDJG-WCFLWFBJSA-N 2 1 224.348 1.618 20 0 BDADMP C[C@H](N)C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151320 978981404 /nfs/dbraw/zinc/98/14/04/978981404.db2.gz GEIBBWIYYJAJNH-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151320 978981410 /nfs/dbraw/zinc/98/14/10/978981410.db2.gz GEIBBWIYYJAJNH-AAEUAGOBSA-N 2 1 225.380 1.188 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)CCN1 ZINC001235472736 979052144 /nfs/dbraw/zinc/05/21/44/979052144.db2.gz KGJWTZJETXUOMP-HSBZDZAISA-N 2 1 237.391 1.188 20 0 BDADMP CC(C)[C@@H]1CN(CCC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001235472736 979052155 /nfs/dbraw/zinc/05/21/55/979052155.db2.gz KGJWTZJETXUOMP-HSBZDZAISA-N 2 1 237.391 1.188 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(C)(C)CO)C2 ZINC001277962531 979123538 /nfs/dbraw/zinc/12/35/38/979123538.db2.gz AQXPKRFCTLFNGD-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(C)(C)CO)C2 ZINC001277962531 979123553 /nfs/dbraw/zinc/12/35/53/979123553.db2.gz AQXPKRFCTLFNGD-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(C)(C)CO)C2 ZINC001277962531 979123560 /nfs/dbraw/zinc/12/35/60/979123560.db2.gz AQXPKRFCTLFNGD-AWEZNQCLSA-N 2 1 240.391 1.423 20 0 BDADMP [NH3+]CCCC[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001235712844 979129289 /nfs/dbraw/zinc/12/92/89/979129289.db2.gz QCKKXVNTRUURFY-CQSZACIVSA-N 2 1 249.358 1.664 20 0 BDADMP CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235726664 979134407 /nfs/dbraw/zinc/13/44/07/979134407.db2.gz OMTAECLEYDXENZ-MNOVXSKESA-N 2 1 212.337 1.585 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235726664 979134409 /nfs/dbraw/zinc/13/44/09/979134409.db2.gz OMTAECLEYDXENZ-MNOVXSKESA-N 2 1 212.337 1.585 20 0 BDADMP [NH3+]CCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001235719482 979135009 /nfs/dbraw/zinc/13/50/09/979135009.db2.gz VDZAQBCERZKYIC-AWEZNQCLSA-N 2 1 234.343 1.799 20 0 BDADMP Cc1nc([C@@H]2CCCC[N@@H+]2CCCC[NH3+])no1 ZINC001235748904 979139886 /nfs/dbraw/zinc/13/98/86/979139886.db2.gz FFVNZPOWQZNFNC-NSHDSACASA-N 2 1 238.335 1.644 20 0 BDADMP Cc1nc([C@@H]2CCCC[N@H+]2CCCC[NH3+])no1 ZINC001235748904 979139891 /nfs/dbraw/zinc/13/98/91/979139891.db2.gz FFVNZPOWQZNFNC-NSHDSACASA-N 2 1 238.335 1.644 20 0 BDADMP COC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC001235827840 979153918 /nfs/dbraw/zinc/15/39/18/979153918.db2.gz RCPBRFOTBHPJSM-NXEZZACHSA-N 2 1 200.326 1.223 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H](C)C1 ZINC001235820245 979159753 /nfs/dbraw/zinc/15/97/53/979159753.db2.gz LEGDZKUKTZTKFM-WOPDTQHZSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H](C)C1 ZINC001235820245 979159755 /nfs/dbraw/zinc/15/97/55/979159755.db2.gz LEGDZKUKTZTKFM-WOPDTQHZSA-N 2 1 226.364 1.831 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@@H+]1C[C@H](N)Cc1ccccc1 ZINC001235905951 979198201 /nfs/dbraw/zinc/19/82/01/979198201.db2.gz UQQHKAMPBNAHAW-NWANDNLSSA-N 2 1 248.370 1.402 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@H+]1C[C@H](N)Cc1ccccc1 ZINC001235905951 979198205 /nfs/dbraw/zinc/19/82/05/979198205.db2.gz UQQHKAMPBNAHAW-NWANDNLSSA-N 2 1 248.370 1.402 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCNC2(CC2)C1 ZINC001235931611 979214364 /nfs/dbraw/zinc/21/43/64/979214364.db2.gz CVTIIJMXBOOGGV-UHFFFAOYSA-N 2 1 249.402 1.204 20 0 BDADMP C(C1CC2(C1)CC[NH2+]CC2)N1CC[NH2+]C2(CC2)C1 ZINC001235931611 979214374 /nfs/dbraw/zinc/21/43/74/979214374.db2.gz CVTIIJMXBOOGGV-UHFFFAOYSA-N 2 1 249.402 1.204 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC001235980489 979248411 /nfs/dbraw/zinc/24/84/11/979248411.db2.gz PRVNLFAJTBQILH-SRVKXCTJSA-N 2 1 208.305 1.102 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC001235980489 979248423 /nfs/dbraw/zinc/24/84/23/979248423.db2.gz PRVNLFAJTBQILH-SRVKXCTJSA-N 2 1 208.305 1.102 20 0 BDADMP COc1ccc(CC[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235980596 979251534 /nfs/dbraw/zinc/25/15/34/979251534.db2.gz RDYMSRHPJFTMTP-UKRRQHHQSA-N 2 1 246.354 1.661 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235980596 979251545 /nfs/dbraw/zinc/25/15/45/979251545.db2.gz RDYMSRHPJFTMTP-UKRRQHHQSA-N 2 1 246.354 1.661 20 0 BDADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001235981110 979261434 /nfs/dbraw/zinc/26/14/34/979261434.db2.gz UNNJOCKWFFSBOW-UPJWGTAASA-N 2 1 206.333 1.766 20 0 BDADMP CCCCCC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994762 979287087 /nfs/dbraw/zinc/28/70/87/979287087.db2.gz XCUOMOVGCVCUGG-FUNVUKJBSA-N 2 1 226.364 1.472 20 0 BDADMP [NH3+]CCCC[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001236042534 979336451 /nfs/dbraw/zinc/33/64/51/979336451.db2.gz PQUTXONSVMJAGW-ZDUSSCGKSA-N 2 1 226.364 1.474 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001236042581 979337425 /nfs/dbraw/zinc/33/74/25/979337425.db2.gz RMZBCESUKQJWNQ-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001236042581 979337435 /nfs/dbraw/zinc/33/74/35/979337435.db2.gz RMZBCESUKQJWNQ-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)C1CC[NH2+]CC1 ZINC001236059350 979348117 /nfs/dbraw/zinc/34/81/17/979348117.db2.gz FTQZTUFTKCJUPG-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2)C1CC[NH2+]CC1 ZINC001236059350 979348125 /nfs/dbraw/zinc/34/81/25/979348125.db2.gz FTQZTUFTKCJUPG-KBPBESRZSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@H]1C[N@H+](Cc2cccc3c2NCC3)CCC[NH2+]1 ZINC001236100693 979390460 /nfs/dbraw/zinc/39/04/60/979390460.db2.gz NAJQLMVHCPMQMI-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CCC[NH2+]1 ZINC001236100693 979390469 /nfs/dbraw/zinc/39/04/69/979390469.db2.gz NAJQLMVHCPMQMI-LBPRGKRZSA-N 2 1 245.370 1.838 20 0 BDADMP [NH3+]CCCC[N@@H+]1CCNC[C@H]1c1cccs1 ZINC001236112392 979395470 /nfs/dbraw/zinc/39/54/70/979395470.db2.gz DUWYHEDUADREOB-NSHDSACASA-N 2 1 239.388 1.433 20 0 BDADMP [NH3+]CCCC[N@H+]1CCNC[C@H]1c1cccs1 ZINC001236112392 979395475 /nfs/dbraw/zinc/39/54/75/979395475.db2.gz DUWYHEDUADREOB-NSHDSACASA-N 2 1 239.388 1.433 20 0 BDADMP [NH3+][C@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001236170284 979427937 /nfs/dbraw/zinc/42/79/37/979427937.db2.gz IKVYBSYMYJIXTJ-JTQLQIEISA-N 2 1 216.288 1.096 20 0 BDADMP CCC[C@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)CCN1 ZINC001236177053 979436970 /nfs/dbraw/zinc/43/69/70/979436970.db2.gz VLSURLADEYBLQK-HSBZDZAISA-N 2 1 237.391 1.332 20 0 BDADMP CCC[C@H]1CN(CCC23CC([NH3+])(C2)C3)CC[NH2+]1 ZINC001236177053 979436980 /nfs/dbraw/zinc/43/69/80/979436980.db2.gz VLSURLADEYBLQK-HSBZDZAISA-N 2 1 237.391 1.332 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1N ZINC001236210510 979450101 /nfs/dbraw/zinc/45/01/01/979450101.db2.gz DERWOQZFCIEQQF-BFHYXJOUSA-N 2 1 239.407 1.578 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]n1 ZINC001236315242 979527413 /nfs/dbraw/zinc/52/74/13/979527413.db2.gz XELFMZWDZAGFPW-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n[nH]1 ZINC001236315242 979527425 /nfs/dbraw/zinc/52/74/25/979527425.db2.gz XELFMZWDZAGFPW-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n[nH]1 ZINC001236315242 979527435 /nfs/dbraw/zinc/52/74/35/979527435.db2.gz XELFMZWDZAGFPW-TXEJJXNPSA-N 2 1 234.347 1.150 20 0 BDADMP [NH3+]C12CC(CC[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)(C1)C2 ZINC001236315252 979528811 /nfs/dbraw/zinc/52/88/11/979528811.db2.gz YJECNHREILKDSM-DGKWVBSXSA-N 3 1 249.402 1.189 20 0 BDADMP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206506835 979530640 /nfs/dbraw/zinc/53/06/40/979530640.db2.gz SDQXYULQSIYACY-IHRRRGAJSA-N 2 1 240.391 1.620 20 0 BDADMP Nc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320874 979533020 /nfs/dbraw/zinc/53/30/20/979533020.db2.gz LCOYRDQCNVWDFB-BETUJISGSA-N 2 1 245.370 1.700 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@]23CCOC3)CC1 ZINC001182434329 979534073 /nfs/dbraw/zinc/53/40/73/979534073.db2.gz NZUNQULAFSDIGC-AWEZNQCLSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236414115 979585675 /nfs/dbraw/zinc/58/56/75/979585675.db2.gz JSOYFHZBKPLADY-DGCLKSJQSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CCCN1CCC1CC[NH2+]CC1 ZINC001236414115 979585680 /nfs/dbraw/zinc/58/56/80/979585680.db2.gz JSOYFHZBKPLADY-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H](N)CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001236414115 979585687 /nfs/dbraw/zinc/58/56/87/979585687.db2.gz JSOYFHZBKPLADY-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1[C@H](N)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001236414115 979585691 /nfs/dbraw/zinc/58/56/91/979585691.db2.gz JSOYFHZBKPLADY-DGCLKSJQSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(N)c1 ZINC001236420752 979593237 /nfs/dbraw/zinc/59/32/37/979593237.db2.gz NMKYDUNTSFYSRI-GXFFZTMASA-N 2 1 219.332 1.580 20 0 BDADMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(N)c1 ZINC001236420752 979593245 /nfs/dbraw/zinc/59/32/45/979593245.db2.gz NMKYDUNTSFYSRI-GXFFZTMASA-N 2 1 219.332 1.580 20 0 BDADMP C[C@@H](N)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539937 979625586 /nfs/dbraw/zinc/62/55/86/979625586.db2.gz DSUWUTNWACNAFZ-MRVWCRGKSA-N 2 1 239.407 1.706 20 0 BDADMP CNCC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542452 979626292 /nfs/dbraw/zinc/62/62/92/979626292.db2.gz WSJCSLBYGLQURE-HDJSIYSDSA-N 2 1 239.407 1.578 20 0 BDADMP C[NH2+]CCN(CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542452 979626297 /nfs/dbraw/zinc/62/62/97/979626297.db2.gz WSJCSLBYGLQURE-HDJSIYSDSA-N 2 1 239.407 1.578 20 0 BDADMP NCC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236539845 979626945 /nfs/dbraw/zinc/62/69/45/979626945.db2.gz BPCBONURBACIKT-JOCQHMNTSA-N 2 1 225.380 1.317 20 0 BDADMP NCC[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566535 979637194 /nfs/dbraw/zinc/63/71/94/979637194.db2.gz KEUYQVHWJCDULI-AULYBMBSSA-N 2 1 225.380 1.460 20 0 BDADMP C[C@@H](N)C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572962 979637291 /nfs/dbraw/zinc/63/72/91/979637291.db2.gz XXMOGGNTXDCPKM-NQBHXWOUSA-N 2 1 225.380 1.458 20 0 BDADMP C[NH2+]CCC[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571787 979638675 /nfs/dbraw/zinc/63/86/75/979638675.db2.gz GYSCGLXNCWZANU-MQMHXKEQSA-N 3 1 239.407 1.720 20 0 BDADMP Cc1cncc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)n1 ZINC001206541504 979644457 /nfs/dbraw/zinc/64/44/57/979644457.db2.gz IAZVOQQYTYHFBG-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP Cc1cncc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)n1 ZINC001206541504 979644464 /nfs/dbraw/zinc/64/44/64/979644464.db2.gz IAZVOQQYTYHFBG-CQSZACIVSA-N 2 1 248.374 1.736 20 0 BDADMP C[C@@H]1C[N@@H+](CC2(C)CC[NH+](C)CC2)C[C@H](C)N1 ZINC001236576134 979647576 /nfs/dbraw/zinc/64/75/76/979647576.db2.gz BVNGAZKYZGJDGE-BETUJISGSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@H+](CC2(C)CC[NH+](C)CC2)C[C@H](C)N1 ZINC001236576134 979647589 /nfs/dbraw/zinc/64/75/89/979647589.db2.gz BVNGAZKYZGJDGE-BETUJISGSA-N 2 1 239.407 1.401 20 0 BDADMP CC(C)[N@@H+](CCCC[NH3+])C1CCN(C)CC1 ZINC001236583122 979664195 /nfs/dbraw/zinc/66/41/95/979664195.db2.gz OZYXDOIOHHRZTD-UHFFFAOYSA-N 2 1 227.396 1.530 20 0 BDADMP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2nn(C)cc21 ZINC001236868278 979771259 /nfs/dbraw/zinc/77/12/59/979771259.db2.gz ADUAWOIHCTVRSN-LBPRGKRZSA-N 2 1 246.358 1.742 20 0 BDADMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2nn(C)cc21 ZINC001236868278 979771269 /nfs/dbraw/zinc/77/12/69/979771269.db2.gz ADUAWOIHCTVRSN-LBPRGKRZSA-N 2 1 246.358 1.742 20 0 BDADMP [NH3+]CCCC[N@@H+](C1CCC1)C1CCOCC1 ZINC001237016261 979805307 /nfs/dbraw/zinc/80/53/07/979805307.db2.gz QLXHUWKHTYYJIZ-UHFFFAOYSA-N 2 1 226.364 1.759 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+](Cc2ccnc(F)c2)CC1 ZINC001205273159 979832962 /nfs/dbraw/zinc/83/29/62/979832962.db2.gz GNWJNVUIMPYKME-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccnc(F)c2)CC1 ZINC001205273159 979832964 /nfs/dbraw/zinc/83/29/64/979832964.db2.gz GNWJNVUIMPYKME-ZDUSSCGKSA-N 2 1 237.322 1.924 20 0 BDADMP Cc1nccnc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273468 979839068 /nfs/dbraw/zinc/83/90/68/979839068.db2.gz LPCARZYIPCRVCE-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP Cc1nccnc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273468 979839070 /nfs/dbraw/zinc/83/90/70/979839070.db2.gz LPCARZYIPCRVCE-CYBMUJFWSA-N 2 1 234.347 1.488 20 0 BDADMP C[C@H]1CN(CC[NH3+])CC[N@H+]1C1CCCCC1 ZINC001237249039 979855223 /nfs/dbraw/zinc/85/52/23/979855223.db2.gz NCBQSAXIOBADTC-LBPRGKRZSA-N 2 1 225.380 1.284 20 0 BDADMP O=c1[nH]cccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380027 979879725 /nfs/dbraw/zinc/87/97/25/979879725.db2.gz DXUQFHAINTXCJC-WCQYABFASA-N 2 1 247.342 1.361 20 0 BDADMP c1cnn(CCC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237385005 979882905 /nfs/dbraw/zinc/88/29/05/979882905.db2.gz ZDGYINNDRCYULW-UONOGXRCSA-N 2 1 248.374 1.347 20 0 BDADMP CCc1n[nH]cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001237648658 979998888 /nfs/dbraw/zinc/99/88/88/979998888.db2.gz LHAIZZNSDQSFHK-YPMHNXCESA-N 2 1 248.374 1.356 20 0 BDADMP CCc1n[nH]cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001237648658 979998892 /nfs/dbraw/zinc/99/88/92/979998892.db2.gz LHAIZZNSDQSFHK-YPMHNXCESA-N 2 1 248.374 1.356 20 0 BDADMP CCc1n[nH]cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001237648658 979998902 /nfs/dbraw/zinc/99/89/02/979998902.db2.gz LHAIZZNSDQSFHK-YPMHNXCESA-N 2 1 248.374 1.356 20 0 BDADMP COC1(OC)CC(C[NH2+]C2CC[NH+](C)CC2)C1 ZINC001184399616 980061484 /nfs/dbraw/zinc/06/14/84/980061484.db2.gz ZAMDQTWDWARWBA-UHFFFAOYSA-N 2 1 242.363 1.069 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC001184417336 980081788 /nfs/dbraw/zinc/08/17/88/980081788.db2.gz BCXFPGUHAVACOY-CYBMUJFWSA-N 2 1 241.423 1.791 20 0 BDADMP C[N@@H+](Cc1cccc2c[nH+]cn21)C1CCOCC1 ZINC001238102565 980150234 /nfs/dbraw/zinc/15/02/34/980150234.db2.gz FDWJPWIYLKURTH-UHFFFAOYSA-N 2 1 245.326 1.945 20 0 BDADMP COC[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102312 980152835 /nfs/dbraw/zinc/15/28/35/980152835.db2.gz AUSUVOHAUGYKEZ-LBPRGKRZSA-N 2 1 245.326 1.803 20 0 BDADMP COC[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102312 980152839 /nfs/dbraw/zinc/15/28/39/980152839.db2.gz AUSUVOHAUGYKEZ-LBPRGKRZSA-N 2 1 245.326 1.803 20 0 BDADMP C[N@@H+](Cc1cccc2c[nH+]cn21)CC1(C)COC1 ZINC001238114281 980158347 /nfs/dbraw/zinc/15/83/47/980158347.db2.gz QHAKZHOUWSPPEK-UHFFFAOYSA-N 2 1 245.326 1.803 20 0 BDADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001343714232 980215261 /nfs/dbraw/zinc/21/52/61/980215261.db2.gz LXXPKCSXDQMBNA-SRVKXCTJSA-N 2 1 241.379 1.101 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(C)nn1C ZINC001345482666 980618289 /nfs/dbraw/zinc/61/82/89/980618289.db2.gz OOOOUEUNHOHANT-KOLCDFICSA-N 2 1 224.352 1.377 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNc1ccnc(N)n1 ZINC001346702055 980887397 /nfs/dbraw/zinc/88/73/97/980887397.db2.gz IOKJRDOJHMMJSP-SNVBAGLBSA-N 2 1 235.335 1.345 20 0 BDADMP CC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c(N)n1 ZINC001346702055 980887398 /nfs/dbraw/zinc/88/73/98/980887398.db2.gz IOKJRDOJHMMJSP-SNVBAGLBSA-N 2 1 235.335 1.345 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNc1cc[nH+]c(N)n1 ZINC001346702055 980887405 /nfs/dbraw/zinc/88/74/05/980887405.db2.gz IOKJRDOJHMMJSP-SNVBAGLBSA-N 2 1 235.335 1.345 20 0 BDADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001205546823 980953056 /nfs/dbraw/zinc/95/30/56/980953056.db2.gz YWZKRZAZJVTXIJ-OLZOCXBDSA-N 2 1 244.354 1.708 20 0 BDADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC001192139616 981132252 /nfs/dbraw/zinc/13/22/52/981132252.db2.gz HEUGPRPFDKYZKV-CYBMUJFWSA-N 2 1 226.364 1.220 20 0 BDADMP COC(=O)CCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205605030 981183258 /nfs/dbraw/zinc/18/32/58/981183258.db2.gz YPPCKQKBUYDCJQ-NEPJUHHUSA-N 2 1 242.363 1.246 20 0 BDADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cncc(F)c1 ZINC001348852304 981455331 /nfs/dbraw/zinc/45/53/31/981455331.db2.gz KHNDTJUFGNVKEQ-VHSXEESVSA-N 2 1 225.311 1.869 20 0 BDADMP C[C@]1(C[N@H+]2CCC[C@](C)(CO)C2)CC[NH2+]C1 ZINC001349321170 981529065 /nfs/dbraw/zinc/52/90/65/981529065.db2.gz YZYXXJNPHMZJQL-STQMWFEESA-N 2 1 226.364 1.080 20 0 BDADMP c1cc2c(c(C3=CCC[NH2+]C3)[nH+]1)CCN2 ZINC001240651307 981561141 /nfs/dbraw/zinc/56/11/41/981561141.db2.gz CZLGJJGPDROVTM-UHFFFAOYSA-N 2 1 201.273 1.426 20 0 BDADMP O=c1[nH]c2ccccc2cc1C[NH2+]CC1C[NH2+]C1 ZINC001580876736 981665416 /nfs/dbraw/zinc/66/54/16/981665416.db2.gz RJBSFTMOBVKKPQ-UHFFFAOYSA-N 2 1 243.310 1.249 20 0 BDADMP OC1(CC[NH2+][C@]23CCC[C@H]2[NH2+]CC3)CCC1 ZINC001580878288 981668874 /nfs/dbraw/zinc/66/88/74/981668874.db2.gz NLKPIHFFCUBLDJ-YPMHNXCESA-N 2 1 224.348 1.166 20 0 BDADMP O[C@H]1CCCC[C@@H]1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001580880837 981682422 /nfs/dbraw/zinc/68/24/22/981682422.db2.gz ZEHCYYTULGXKEF-RQJABVFESA-N 2 1 238.375 1.412 20 0 BDADMP c1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001580892733 981724604 /nfs/dbraw/zinc/72/46/04/981724604.db2.gz DRDRJDWNAMZGIY-NEPJUHHUSA-N 2 1 217.316 1.123 20 0 BDADMP c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)nc1 ZINC001580892733 981724617 /nfs/dbraw/zinc/72/46/17/981724617.db2.gz DRDRJDWNAMZGIY-NEPJUHHUSA-N 2 1 217.316 1.123 20 0 BDADMP c1cnc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cn1 ZINC001580896427 981725580 /nfs/dbraw/zinc/72/55/80/981725580.db2.gz BHEJDHXESMJBFD-OLZOCXBDSA-N 2 1 246.358 1.266 20 0 BDADMP c1cnc([C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC001580896936 981733015 /nfs/dbraw/zinc/73/30/15/981733015.db2.gz YPJPKVZNBFRJTM-CHWSQXEVSA-N 2 1 246.358 1.266 20 0 BDADMP C[N@@H+]1CC=C(c2ccc3[nH]c(N)[nH+]c3c2)CC1 ZINC001241327579 982489403 /nfs/dbraw/zinc/48/94/03/982489403.db2.gz OSKCGBXNQAVTMM-UHFFFAOYSA-N 2 1 228.299 1.864 20 0 BDADMP C[N@H+]1CC=C(c2ccc3[nH+]c(N)[nH]c3c2)CC1 ZINC001241327579 982489407 /nfs/dbraw/zinc/48/94/07/982489407.db2.gz OSKCGBXNQAVTMM-UHFFFAOYSA-N 2 1 228.299 1.864 20 0 BDADMP C[N@@H+]1CC=C(c2ccc3[nH+]c(N)[nH]c3c2)CC1 ZINC001241327579 982489417 /nfs/dbraw/zinc/48/94/17/982489417.db2.gz OSKCGBXNQAVTMM-UHFFFAOYSA-N 2 1 228.299 1.864 20 0 BDADMP COCOCCC[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205804316 982562603 /nfs/dbraw/zinc/56/26/03/982562603.db2.gz MTGRVLDAXYLVLC-NEPJUHHUSA-N 2 1 230.352 1.056 20 0 BDADMP COCOCCC[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205804316 982562616 /nfs/dbraw/zinc/56/26/16/982562616.db2.gz MTGRVLDAXYLVLC-NEPJUHHUSA-N 2 1 230.352 1.056 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC001352788914 982580558 /nfs/dbraw/zinc/58/05/58/982580558.db2.gz RLCZNEVTNURIFV-NDBYEHHHSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001352788917 982581432 /nfs/dbraw/zinc/58/14/32/982581432.db2.gz RLCZNEVTNURIFV-WUHRBBMRSA-N 2 1 224.348 1.225 20 0 BDADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001354232817 983214324 /nfs/dbraw/zinc/21/43/24/983214324.db2.gz BZLPDUDJJCPXHK-WUHRBBMRSA-N 3 1 237.391 1.363 20 0 BDADMP CCC[N@H+](CCCC(=O)OC)CCC[NH+](C)C ZINC001202263123 983607004 /nfs/dbraw/zinc/60/70/04/983607004.db2.gz IAKPQGAIDWRRQF-UHFFFAOYSA-N 2 1 244.379 1.603 20 0 BDADMP C[C@@H]1Cc2n[nH]cc2C[N@H+](CC2CC[NH2+]CC2)C1 ZINC001573653852 984037547 /nfs/dbraw/zinc/03/75/47/984037547.db2.gz DNLFCTBVDOKIMM-LLVKDONJSA-N 2 1 248.374 1.404 20 0 BDADMP C[C@@H]([NH3+])C[NH2+]Cc1cccc2nsnc21 ZINC001576159746 984156992 /nfs/dbraw/zinc/15/69/92/984156992.db2.gz VVHDHCIMKQJVIG-SSDOTTSWSA-N 2 1 222.317 1.128 20 0 BDADMP CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001576972831 984187331 /nfs/dbraw/zinc/18/73/31/984187331.db2.gz YPDSAZLXPPMMLZ-XDQVBPFNSA-N 2 1 242.407 1.904 20 0 BDADMP CCC[N@@H+](CCC1C[NH2+]C1)[C@H](C)C(=O)OCC ZINC001577519244 984198607 /nfs/dbraw/zinc/19/86/07/984198607.db2.gz IVWBWCWUTCXDLD-LLVKDONJSA-N 2 1 242.363 1.260 20 0 BDADMP C[NH2+]C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001578654389 984219253 /nfs/dbraw/zinc/21/92/53/984219253.db2.gz OJNVNLDFPCWKMB-HUUCEWRRSA-N 2 1 248.370 1.794 20 0 BDADMP CO[C@H](CC(C)C)C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578901258 984229810 /nfs/dbraw/zinc/22/98/10/984229810.db2.gz QNVGJOFIJOEINF-NDBYEHHHSA-N 2 1 226.364 1.197 20 0 BDADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578901258 984229821 /nfs/dbraw/zinc/22/98/21/984229821.db2.gz QNVGJOFIJOEINF-NDBYEHHHSA-N 2 1 226.364 1.197 20 0 BDADMP COC/C(C)=C\C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC001578954661 984236641 /nfs/dbraw/zinc/23/66/41/984236641.db2.gz SWSQOKDMWDRLJN-QFPOICDUSA-N 2 1 226.364 1.555 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)C1CC1 ZINC001580229894 984432431 /nfs/dbraw/zinc/43/24/31/984432431.db2.gz VTKCAROOWRTDKP-NEPJUHHUSA-N 2 1 248.326 1.153 20 0 BDADMP C[N@H+]1CCc2ccc(C3=CC[NH2+]C3)cc2C1 ZINC001243116091 984586647 /nfs/dbraw/zinc/58/66/47/984586647.db2.gz RFXUQGLQWJFXJD-UHFFFAOYSA-N 2 1 214.312 1.661 20 0 BDADMP CC[N@@H+](CCNC(=O)[C@@](C)(CC)C[NH3+])C(C)C ZINC001577722759 984661106 /nfs/dbraw/zinc/66/11/06/984661106.db2.gz JWOHCPOGXOSSQF-ZDUSSCGKSA-N 2 1 243.395 1.208 20 0 BDADMP CC[N@@H+]1[C@H](C)CN(C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC001577780682 984783442 /nfs/dbraw/zinc/78/34/42/984783442.db2.gz CMGHZOGXAZLJOI-MQYQWHSLSA-N 2 1 239.407 1.256 20 0 BDADMP CC[N@H+]1CCC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001577770411 984784945 /nfs/dbraw/zinc/78/49/45/984784945.db2.gz HKRGHGVKRMLJMQ-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP CCN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001577770411 984784990 /nfs/dbraw/zinc/78/49/90/984784990.db2.gz HKRGHGVKRMLJMQ-JHJVBQTASA-N 2 1 225.380 1.330 20 0 BDADMP CCOC(=O)CC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC001577948562 984826929 /nfs/dbraw/zinc/82/69/29/984826929.db2.gz GMLIGPMRAPLAOK-LBPRGKRZSA-N 2 1 242.363 1.261 20 0 BDADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnc[nH]3)(C1)CCC2 ZINC001276202818 984827254 /nfs/dbraw/zinc/82/72/54/984827254.db2.gz DSDIFBUBYOGJRH-QWHCGFSZSA-N 2 1 234.347 1.564 20 0 BDADMP CCOC(=O)CCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC001577945339 984827368 /nfs/dbraw/zinc/82/73/68/984827368.db2.gz GXGZISZBUCKMMQ-GFCCVEGCSA-N 2 1 242.363 1.533 20 0 BDADMP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001578098302 984848486 /nfs/dbraw/zinc/84/84/86/984848486.db2.gz WFGUPGIHSDILRJ-RWMBFGLXSA-N 2 1 226.364 1.676 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])CC)[C@]12CCCO2 ZINC001578148872 984855609 /nfs/dbraw/zinc/85/56/09/984855609.db2.gz MJPZOSONYWKOMF-WUHRBBMRSA-N 2 1 242.363 1.040 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001578161008 984863278 /nfs/dbraw/zinc/86/32/78/984863278.db2.gz IAADPVGRJMHMGV-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001578241668 984896139 /nfs/dbraw/zinc/89/61/39/984896139.db2.gz HLWRMMUZRKRJJD-ASEORRQLSA-N 2 1 248.374 1.254 20 0 BDADMP CCn1cc(CC[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cn1 ZINC001578345986 984977257 /nfs/dbraw/zinc/97/72/57/984977257.db2.gz BXRCJMHOTMTHDF-KGLIPLIRSA-N 2 1 248.374 1.320 20 0 BDADMP CCn1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001578354150 984998604 /nfs/dbraw/zinc/99/86/04/984998604.db2.gz ZRMBUPGLDAEPMX-NEPJUHHUSA-N 2 1 236.363 1.320 20 0 BDADMP CC[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001257444256 985033940 /nfs/dbraw/zinc/03/39/40/985033940.db2.gz ICDAZSWURHBDRS-HZSPNIEDSA-N 2 1 239.407 1.495 20 0 BDADMP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)C[NH+]1CCCC1 ZINC000686011118 985037922 /nfs/dbraw/zinc/03/79/22/985037922.db2.gz AUOJXKBODFZVNT-JHJVBQTASA-N 2 1 226.364 1.316 20 0 BDADMP C[N@@H+](CC1(C[NH3+])CCC1)CC1(O)CCCC1 ZINC001578445208 985078089 /nfs/dbraw/zinc/07/80/89/985078089.db2.gz JSUXZQWINQBKSA-UHFFFAOYSA-N 2 1 226.364 1.352 20 0 BDADMP C[N@H+](C[C@@H]1CCC(C)(C)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450638 985082691 /nfs/dbraw/zinc/08/26/91/985082691.db2.gz UWVITMQWJSFOTK-NNYUYHANSA-N 2 1 224.348 1.094 20 0 BDADMP C[N@@H+](C[C@@H]1CCC(C)(C)O1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450638 985082703 /nfs/dbraw/zinc/08/27/03/985082703.db2.gz UWVITMQWJSFOTK-NNYUYHANSA-N 2 1 224.348 1.094 20 0 BDADMP C[N@H+](C[C@@H]1CC2(CCC2)CO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578448361 985085826 /nfs/dbraw/zinc/08/58/26/985085826.db2.gz PSVDACSXPYPNTB-WUHRBBMRSA-N 2 1 236.359 1.095 20 0 BDADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578448361 985085847 /nfs/dbraw/zinc/08/58/47/985085847.db2.gz PSVDACSXPYPNTB-WUHRBBMRSA-N 2 1 236.359 1.095 20 0 BDADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C[C@@H]1CCC[C@@H]1O ZINC001578453283 985090384 /nfs/dbraw/zinc/09/03/84/985090384.db2.gz ZOBTWFTWCVSKHD-RVMXOQNASA-N 2 1 226.364 1.207 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N)nc3)[C@@H]2C1 ZINC001578520914 985139850 /nfs/dbraw/zinc/13/98/50/985139850.db2.gz IXMSFUKBSWHJTH-XQQFMLRXSA-N 2 1 246.358 1.094 20 0 BDADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H](C[NH3+])C3)[C@H]2C1 ZINC001578520783 985143753 /nfs/dbraw/zinc/14/37/53/985143753.db2.gz GNJWRIOZZTVYHJ-HPCHECBXSA-N 3 1 237.391 1.044 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@@H](C[NH3+])C(C)(C)C ZINC001578530308 985154030 /nfs/dbraw/zinc/15/40/30/985154030.db2.gz FPNPDIWBGJATTC-MNOVXSKESA-N 2 1 213.369 1.044 20 0 BDADMP C[N@@H+]1CCC[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529428 985158491 /nfs/dbraw/zinc/15/84/91/985158491.db2.gz UUPUDWXIZNSHAS-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001578529428 985158500 /nfs/dbraw/zinc/15/85/00/985158500.db2.gz UUPUDWXIZNSHAS-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2cccc(C)c2C1 ZINC001578621464 985230793 /nfs/dbraw/zinc/23/07/93/985230793.db2.gz HXOLJCWFOZIFBY-OAHLLOKOSA-N 2 1 248.370 1.324 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2cccc(C)c2C1 ZINC001578621464 985230811 /nfs/dbraw/zinc/23/08/11/985230811.db2.gz HXOLJCWFOZIFBY-OAHLLOKOSA-N 2 1 248.370 1.324 20 0 BDADMP C[NH2+]C[C@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC001578637750 985245840 /nfs/dbraw/zinc/24/58/40/985245840.db2.gz CWUXHQKHNFZWLK-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC001578656331 985272126 /nfs/dbraw/zinc/27/21/26/985272126.db2.gz IWBYACLFZIWTDK-OLZOCXBDSA-N 2 1 228.380 1.325 20 0 BDADMP CO[C@H]1CC[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000687252863 985275128 /nfs/dbraw/zinc/27/51/28/985275128.db2.gz ASFAOCSKIYOHFS-AAEUAGOBSA-N 2 1 226.364 1.485 20 0 BDADMP COC(=O)[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)C ZINC001578830046 985398532 /nfs/dbraw/zinc/39/85/32/985398532.db2.gz WAMZEORZHVASJG-HBNTYKKESA-N 2 1 242.363 1.291 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCN[C@@H]1C ZINC001578897201 985477729 /nfs/dbraw/zinc/47/77/29/985477729.db2.gz SZSYRNYJKPSANK-CHWFTXMASA-N 2 1 200.326 1.140 20 0 BDADMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001578897201 985477755 /nfs/dbraw/zinc/47/77/55/985477755.db2.gz SZSYRNYJKPSANK-CHWFTXMASA-N 2 1 200.326 1.140 20 0 BDADMP CO[C@@H](CC(C)C)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001578901549 985485687 /nfs/dbraw/zinc/48/56/87/985485687.db2.gz SZXNYATZTRZTEY-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@@H](CC(C)C)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001578901549 985485694 /nfs/dbraw/zinc/48/56/94/985485694.db2.gz SZXNYATZTRZTEY-RYUDHWBXSA-N 2 1 214.353 1.471 20 0 BDADMP CO[C@H](CC(C)C)C[N@@H+](C)CCC[NH3+] ZINC001578901241 985488248 /nfs/dbraw/zinc/48/82/48/985488248.db2.gz PZFLTHUCZYSIQA-LLVKDONJSA-N 2 1 202.342 1.328 20 0 BDADMP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000688022588 985492825 /nfs/dbraw/zinc/49/28/25/985492825.db2.gz FIUQOVGXWBNFOW-RDBSUJKOSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001459524356 985517987 /nfs/dbraw/zinc/51/79/87/985517987.db2.gz CNLGMUNGMLZULD-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP COC1(C[C@@H](C)[NH2+]C(C)(C)C[NH3+])CCC1 ZINC001578927081 985528456 /nfs/dbraw/zinc/52/84/56/985528456.db2.gz SALBRYSQOLBBOR-SNVBAGLBSA-N 2 1 214.353 1.661 20 0 BDADMP COC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC001578929795 985535400 /nfs/dbraw/zinc/53/54/00/985535400.db2.gz JOXOFUDLJHYJQK-LBPRGKRZSA-N 2 1 238.375 1.820 20 0 BDADMP C[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000688054352 985541721 /nfs/dbraw/zinc/54/17/21/985541721.db2.gz WBQMQEBTCAEGJQ-GXFFZTMASA-N 2 1 224.348 1.238 20 0 BDADMP CSCC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258223586 985665194 /nfs/dbraw/zinc/66/51/94/985665194.db2.gz FSPXPDVSRPOTDH-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP CSCC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258223586 985665201 /nfs/dbraw/zinc/66/52/01/985665201.db2.gz FSPXPDVSRPOTDH-NSHDSACASA-N 2 1 239.388 1.883 20 0 BDADMP C[N@@H+](CCc1nccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000688627607 985699064 /nfs/dbraw/zinc/69/90/64/985699064.db2.gz NFGMQONQMBURQD-MNOVXSKESA-N 2 1 239.388 1.745 20 0 BDADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)O ZINC001460072854 985730612 /nfs/dbraw/zinc/73/06/12/985730612.db2.gz BHTSJGZGUGZSRS-LBPRGKRZSA-N 2 1 239.363 1.348 20 0 BDADMP COc1ccsc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001579319935 985835637 /nfs/dbraw/zinc/83/56/37/985835637.db2.gz XZOMPUSDSMPUMU-OCAPTIKFSA-N 2 1 212.318 1.336 20 0 BDADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](C)[NH3+] ZINC001579132928 985809176 /nfs/dbraw/zinc/80/91/76/985809176.db2.gz IUJOCIRLPGACEQ-BIMULSAOSA-N 2 1 220.316 1.236 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)C[C@H]2CC[NH2+]2)c1C ZINC001579134296 985812618 /nfs/dbraw/zinc/81/26/18/985812618.db2.gz FKRPDLGNNAIADQ-GFCCVEGCSA-N 2 1 249.358 1.501 20 0 BDADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cn1 ZINC001579214055 985819477 /nfs/dbraw/zinc/81/94/77/985819477.db2.gz VEZDJVJVYRRZBH-OLZOCXBDSA-N 2 1 247.342 1.132 20 0 BDADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cn1 ZINC001579214055 985819478 /nfs/dbraw/zinc/81/94/78/985819478.db2.gz VEZDJVJVYRRZBH-OLZOCXBDSA-N 2 1 247.342 1.132 20 0 BDADMP C[C@@H](CN)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001579395636 985872901 /nfs/dbraw/zinc/87/29/01/985872901.db2.gz NWJOQZAZSNGWFM-IDKOKCKLSA-N 2 1 228.336 1.044 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001579395636 985872909 /nfs/dbraw/zinc/87/29/09/985872909.db2.gz NWJOQZAZSNGWFM-IDKOKCKLSA-N 2 1 228.336 1.044 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC001579454477 985945513 /nfs/dbraw/zinc/94/55/13/985945513.db2.gz FPKOLCJQWALNIQ-AGIUHOORSA-N 2 1 240.391 1.325 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC001579454721 985946655 /nfs/dbraw/zinc/94/66/55/985946655.db2.gz XXSNCHCGNXSUJC-RFGFWPKPSA-N 2 1 238.375 1.200 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC001579454740 985952574 /nfs/dbraw/zinc/95/25/74/985952574.db2.gz YTHGOQSJYHBEBG-WOPDTQHZSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC001579454740 985952585 /nfs/dbraw/zinc/95/25/85/985952585.db2.gz YTHGOQSJYHBEBG-WOPDTQHZSA-N 2 1 226.364 1.341 20 0 BDADMP C[C@@]12CSC[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001579475691 985990975 /nfs/dbraw/zinc/99/09/75/985990975.db2.gz MPCKZZMQMLFEAQ-QWHCGFSZSA-N 2 1 240.416 1.671 20 0 BDADMP C[C@H]1C[C@@H](O)C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001579496324 986025437 /nfs/dbraw/zinc/02/54/37/986025437.db2.gz RYKOVVDUKTUMCX-XQQFMLRXSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001579499606 986027545 /nfs/dbraw/zinc/02/75/45/986027545.db2.gz XKGPKQXVEHNOSD-XJFOESAGSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC001579499326 986028037 /nfs/dbraw/zinc/02/80/37/986028037.db2.gz JUNMTEKUMKZARE-GRYCIOLGSA-N 2 1 212.337 1.286 20 0 BDADMP CCCN1CCC([NH2+]CCSCC[NH3+])CC1 ZINC001258769562 986159971 /nfs/dbraw/zinc/15/99/71/986159971.db2.gz VSKGIHYRINJYNX-UHFFFAOYSA-N 2 1 245.436 1.142 20 0 BDADMP Cc1cccc([C@H](O)C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579752160 986210255 /nfs/dbraw/zinc/21/02/55/986210255.db2.gz XYUVXPQFFCWXFB-BARDWOONSA-N 2 1 246.354 1.178 20 0 BDADMP Cc1cccc([C@H](O)C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579752160 986210273 /nfs/dbraw/zinc/21/02/73/986210273.db2.gz XYUVXPQFFCWXFB-BARDWOONSA-N 2 1 246.354 1.178 20 0 BDADMP Cc1ccnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001579811664 986230633 /nfs/dbraw/zinc/23/06/33/986230633.db2.gz QGHIRCGSCSXDBX-VXGBXAGGSA-N 2 1 219.332 1.417 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C)[C@H]2CO)CC1 ZINC001462092785 986279705 /nfs/dbraw/zinc/27/97/05/986279705.db2.gz KJWPARMDGQMRNM-TZMCWYRMSA-N 2 1 240.391 1.421 20 0 BDADMP Cc1nc(F)ccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579860957 986281802 /nfs/dbraw/zinc/28/18/02/986281802.db2.gz AKGSBDDGCQITAZ-OLZOCXBDSA-N 2 1 249.333 1.570 20 0 BDADMP Cc1nc(F)ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001579860957 986281818 /nfs/dbraw/zinc/28/18/18/986281818.db2.gz AKGSBDDGCQITAZ-OLZOCXBDSA-N 2 1 249.333 1.570 20 0 BDADMP C[N@@H+](CCCC[NH2+][C@@H]1CCn2ccnc21)C1CC1 ZINC001462312040 986347679 /nfs/dbraw/zinc/34/76/79/986347679.db2.gz VYSNFLJAFHUIFU-CYBMUJFWSA-N 2 1 248.374 1.792 20 0 BDADMP Cn1cc([C@@H]2C[C@H]2C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC001579969076 986370223 /nfs/dbraw/zinc/37/02/23/986370223.db2.gz BUHFEMSVVHETBK-IACUBPJLSA-N 2 1 248.374 1.194 20 0 BDADMP COC1(C)CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516779 986651717 /nfs/dbraw/zinc/65/17/17/986651717.db2.gz PCPUIAIRTMZVON-ZDUSSCGKSA-N 2 1 240.391 1.972 20 0 BDADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@](C)(O)CC2)CC1 ZINC001254515980 986658493 /nfs/dbraw/zinc/65/84/93/986658493.db2.gz IBCLIWQAMCFIQA-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC001254515980 986658504 /nfs/dbraw/zinc/65/85/04/986658504.db2.gz IBCLIWQAMCFIQA-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC001254515980 986658509 /nfs/dbraw/zinc/65/85/09/986658509.db2.gz IBCLIWQAMCFIQA-KBPBESRZSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@H](F)C2)CC1 ZINC001254515861 986666859 /nfs/dbraw/zinc/66/68/59/986666859.db2.gz FJRFOTXMKSEJHV-WDEREUQCSA-N 2 1 200.301 1.515 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@H](F)C2)CC1 ZINC001254515861 986666877 /nfs/dbraw/zinc/66/68/77/986666877.db2.gz FJRFOTXMKSEJHV-WDEREUQCSA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@H](F)C2)CC1 ZINC001254515861 986666892 /nfs/dbraw/zinc/66/68/92/986666892.db2.gz FJRFOTXMKSEJHV-WDEREUQCSA-N 2 1 200.301 1.515 20 0 BDADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@H](F)C2)CC1 ZINC001254515861 986666900 /nfs/dbraw/zinc/66/69/00/986666900.db2.gz FJRFOTXMKSEJHV-WDEREUQCSA-N 2 1 200.301 1.515 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCC1CCOCC1 ZINC000380216055 986696723 /nfs/dbraw/zinc/69/67/23/986696723.db2.gz IFUOKMDDPCPUGC-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC1CCOCC1 ZINC000380216055 986696733 /nfs/dbraw/zinc/69/67/33/986696733.db2.gz IFUOKMDDPCPUGC-ZYHUDNBSSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]CC12CCC(CC1)[N@H+]2C[C@H]1C[C@@]12CCOC2 ZINC001580248097 986700056 /nfs/dbraw/zinc/70/00/56/986700056.db2.gz GVHMHSFQKNJTRA-NELGMTEASA-N 2 1 236.359 1.369 20 0 BDADMP [NH3+]C[C@H]1C[N@H+](CC2CC3(CCC3)C2)CCO1 ZINC001580274750 986722021 /nfs/dbraw/zinc/72/20/21/986722021.db2.gz ORQAFOBAEXKEAP-LBPRGKRZSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CC2CC3(CCC3)C2)CCO1 ZINC001580274750 986722031 /nfs/dbraw/zinc/72/20/31/986722031.db2.gz ORQAFOBAEXKEAP-LBPRGKRZSA-N 2 1 224.348 1.226 20 0 BDADMP [NH3+]CC[C@H](O)C[N@@H+](CC1CC1)CC1CCC1 ZINC001580284434 986728120 /nfs/dbraw/zinc/72/81/20/986728120.db2.gz CKUVSMGGDROZEO-ZDUSSCGKSA-N 2 1 226.364 1.208 20 0 BDADMP [NH3+]CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001580312066 986742658 /nfs/dbraw/zinc/74/26/58/986742658.db2.gz AJTIXJTUHKVDBN-HTQZYQBOSA-N 2 1 208.227 1.432 20 0 BDADMP [NH3+]Cc1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC001580336999 986780514 /nfs/dbraw/zinc/78/05/14/986780514.db2.gz BKNKWJQNGLGAAN-UONOGXRCSA-N 2 1 232.327 1.102 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](c3ccncc3)C2)C1 ZINC001580387372 986813086 /nfs/dbraw/zinc/81/30/86/986813086.db2.gz BOWZAYMFOGWTNF-NWANDNLSSA-N 2 1 245.370 1.998 20 0 BDADMP C[N@H+]1CC[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001255439339 986963778 /nfs/dbraw/zinc/96/37/78/986963778.db2.gz SQJOOEPSFAMHFI-RYUDHWBXSA-N 2 1 234.347 1.227 20 0 BDADMP C[N@H+]1CCC[C@H](n2nc(C[NH3+])c3ccccc32)C1 ZINC001255469526 986974049 /nfs/dbraw/zinc/97/40/49/986974049.db2.gz CJNMEPQRPUJQLR-NSHDSACASA-N 2 1 244.342 1.762 20 0 BDADMP CCN(C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC001255488061 986990252 /nfs/dbraw/zinc/99/02/52/986990252.db2.gz XIGRZXOFJNMBCS-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CCN(C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC001255488061 986990258 /nfs/dbraw/zinc/99/02/58/986990258.db2.gz XIGRZXOFJNMBCS-CQSZACIVSA-N 2 1 239.407 1.497 20 0 BDADMP CC[N@H+](C)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001255583108 987031555 /nfs/dbraw/zinc/03/15/55/987031555.db2.gz JNWFBFZBFZRQGT-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP CC[N@@H+](C)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001255583108 987031566 /nfs/dbraw/zinc/03/15/66/987031566.db2.gz JNWFBFZBFZRQGT-NSHDSACASA-N 2 1 214.353 1.437 20 0 BDADMP CCCCC[C@@H](O)C[NH2+]C[C@H]1CCC[NH2+]1 ZINC001245984976 987263736 /nfs/dbraw/zinc/26/37/36/987263736.db2.gz ZKDPYXAVTDUUHQ-VXGBXAGGSA-N 2 1 214.353 1.269 20 0 BDADMP CCCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)C[NH2+]1 ZINC001245991387 987271130 /nfs/dbraw/zinc/27/11/30/987271130.db2.gz KGZAGDAWZQNODV-XQQFMLRXSA-N 2 1 228.380 1.515 20 0 BDADMP CCCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001245991386 987272893 /nfs/dbraw/zinc/27/28/93/987272893.db2.gz KGZAGDAWZQNODV-UPJWGTAASA-N 2 1 228.380 1.515 20 0 BDADMP CCCC[C@@H](O)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001245998798 987280374 /nfs/dbraw/zinc/28/03/74/987280374.db2.gz ZHFRWOGFKHSMDG-VXGBXAGGSA-N 2 1 214.353 1.269 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001245999674 987285313 /nfs/dbraw/zinc/28/53/13/987285313.db2.gz BZEHMDDYAURORH-CHWSQXEVSA-N 2 1 222.332 1.221 20 0 BDADMP CC(=O)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000692492118 987292106 /nfs/dbraw/zinc/29/21/06/987292106.db2.gz USFLZUWFXDPLHR-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP CC(=O)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000692492118 987292115 /nfs/dbraw/zinc/29/21/15/987292115.db2.gz USFLZUWFXDPLHR-AWEZNQCLSA-N 2 1 238.375 1.772 20 0 BDADMP CCCC[C@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001246014881 987294821 /nfs/dbraw/zinc/29/48/21/987294821.db2.gz DPFDOPZNLROFGN-SRVKXCTJSA-N 2 1 214.353 1.349 20 0 BDADMP CCCC[C@H](O)C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246014881 987294840 /nfs/dbraw/zinc/29/48/40/987294840.db2.gz DPFDOPZNLROFGN-SRVKXCTJSA-N 2 1 214.353 1.349 20 0 BDADMP C[C@](O)(C[N@H+]1CCC[C@@H]([NH3+])CC1)c1ccccc1 ZINC001246015832 987296301 /nfs/dbraw/zinc/29/63/01/987296301.db2.gz HQAVRWIYQPOWHL-CABCVRRESA-N 2 1 248.370 1.707 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000693030511 987303040 /nfs/dbraw/zinc/30/30/40/987303040.db2.gz HUBRFBSTBNSSFC-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246017621 987303188 /nfs/dbraw/zinc/30/31/88/987303188.db2.gz SGHKORLYPIJMRO-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246017621 987303191 /nfs/dbraw/zinc/30/31/91/987303191.db2.gz SGHKORLYPIJMRO-AVGNSLFASA-N 2 1 228.380 1.739 20 0 BDADMP CCCCC[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246017655 987304349 /nfs/dbraw/zinc/30/43/49/987304349.db2.gz SJFSSEROEHNETE-QWHCGFSZSA-N 2 1 228.380 1.741 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019620 987309417 /nfs/dbraw/zinc/30/94/17/987309417.db2.gz GPHXRWJDZACERQ-GXTWGEPZSA-N 2 1 242.407 1.844 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246023254 987312770 /nfs/dbraw/zinc/31/27/70/987312770.db2.gz PDIBKHWQPVCSSL-IHRRRGAJSA-N 2 1 242.407 1.844 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246026431 987326788 /nfs/dbraw/zinc/32/67/88/987326788.db2.gz VDLPVFMVLUQHHB-AGIUHOORSA-N 2 1 228.380 1.597 20 0 BDADMP CCCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246026431 987326792 /nfs/dbraw/zinc/32/67/92/987326792.db2.gz VDLPVFMVLUQHHB-AGIUHOORSA-N 2 1 228.380 1.597 20 0 BDADMP CCCC[C@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246025902 987327837 /nfs/dbraw/zinc/32/78/37/987327837.db2.gz ZVYORYVLUQYZCG-STQMWFEESA-N 2 1 228.380 1.741 20 0 BDADMP CCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246045894 987341352 /nfs/dbraw/zinc/34/13/52/987341352.db2.gz LNULWJKFQLYCLQ-RWMBFGLXSA-N 2 1 226.364 1.351 20 0 BDADMP CCCCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246045894 987341363 /nfs/dbraw/zinc/34/13/63/987341363.db2.gz LNULWJKFQLYCLQ-RWMBFGLXSA-N 2 1 226.364 1.351 20 0 BDADMP CCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052527 987344714 /nfs/dbraw/zinc/34/47/14/987344714.db2.gz NRMAQJKBHBCEIC-MJBXVCDLSA-N 2 1 240.391 1.469 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246074400 987365304 /nfs/dbraw/zinc/36/53/04/987365304.db2.gz PFBCWMBQZXFKRQ-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H](CC[NH2+]Cc1cccc(C(N)=O)c1)[NH+](C)C ZINC000697873100 987365996 /nfs/dbraw/zinc/36/59/96/987365996.db2.gz SVFUSYXOIAHXOG-NSHDSACASA-N 2 1 249.358 1.215 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)C[NH2+]1 ZINC001246078321 987367740 /nfs/dbraw/zinc/36/77/40/987367740.db2.gz AHRGTXPTCKMFOK-FDYHWXHSSA-N 3 1 239.407 1.493 20 0 BDADMP CCOCC[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246085328 987383766 /nfs/dbraw/zinc/38/37/66/987383766.db2.gz QIEHMWNSRALNQI-TUAOUCFPSA-N 2 1 214.353 1.532 20 0 BDADMP CCOCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246085261 987386560 /nfs/dbraw/zinc/38/65/60/987386560.db2.gz QIEHMWNSRALNQI-SRVKXCTJSA-N 2 1 214.353 1.532 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](F)CC2)C[NH2+]1 ZINC001246089616 987394996 /nfs/dbraw/zinc/39/49/96/987394996.db2.gz QWRJDCKIRPCZBS-NNYUYHANSA-N 2 1 214.328 1.997 20 0 BDADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC001246089879 987395654 /nfs/dbraw/zinc/39/56/54/987395654.db2.gz HKENUXHCVJGIHN-UTUOFQBUSA-N 2 1 240.347 1.060 20 0 BDADMP CC(C)(C)[C@@H]1C[C@H](NCC2(F)C[NH2+]C2)CC[NH2+]1 ZINC001246090973 987399893 /nfs/dbraw/zinc/39/98/93/987399893.db2.gz AOAIRODIAQDNMH-MNOVXSKESA-N 2 1 243.370 1.054 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCC[NH2+]C2)CC[NH2+]1 ZINC001246092984 987400683 /nfs/dbraw/zinc/40/06/83/987400683.db2.gz UGXMWEUSKLUWGT-MGPQQGTHSA-N 3 1 239.407 1.496 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C[NH2+]1 ZINC001246093294 987401719 /nfs/dbraw/zinc/40/17/19/987401719.db2.gz RMWOGJWYSUKKGM-KKOKHZNYSA-N 2 1 214.328 1.855 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246096297 987407274 /nfs/dbraw/zinc/40/72/74/987407274.db2.gz UAWRAZARPZEOHE-LPWJVIDDSA-N 3 1 225.380 1.105 20 0 BDADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246098956 987412568 /nfs/dbraw/zinc/41/25/68/987412568.db2.gz UITAIAHHXPXBFE-MWWBDVBNSA-N 3 1 237.391 1.247 20 0 BDADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)C1 ZINC001246099410 987414809 /nfs/dbraw/zinc/41/48/09/987414809.db2.gz LTOBFBVWHUMCAP-RWMBFGLXSA-N 3 1 239.407 1.352 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001246100981 987424843 /nfs/dbraw/zinc/42/48/43/987424843.db2.gz IIRNMYWAURMSNZ-NOOOWODRSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(=O)[nH]1 ZINC001246103196 987429421 /nfs/dbraw/zinc/42/94/21/987429421.db2.gz GJISOBCCRGBXML-ZYHUDNBSSA-N 2 1 249.358 1.634 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+]C2CCN(C)CC2)C[NH2+]1 ZINC001246103824 987430714 /nfs/dbraw/zinc/43/07/14/987430714.db2.gz XZMLHHNOYXPHGC-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246108056 987435714 /nfs/dbraw/zinc/43/57/14/987435714.db2.gz BVLBOLLZIJCMSK-XGFWRYKXSA-N 3 1 237.391 1.105 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC001246116443 987452825 /nfs/dbraw/zinc/45/28/25/987452825.db2.gz FIRTWWLCBPEPRT-YVECIDJPSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCSC2)[NH2+]C1 ZINC001246116157 987456247 /nfs/dbraw/zinc/45/62/47/987456247.db2.gz UYCUVKGUTLDGRS-VWYCJHECSA-N 2 1 214.378 1.470 20 0 BDADMP O=C1C[C@@H]2CC([NH2+][C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC001246120611 987466745 /nfs/dbraw/zinc/46/67/45/987466745.db2.gz NTJNTEJITZNTHG-DCAQKATOSA-N 2 1 222.332 1.086 20 0 BDADMP C[NH+](C)CCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246170937 987479001 /nfs/dbraw/zinc/47/90/01/987479001.db2.gz PBYMNVGIJKQLKU-GFCCVEGCSA-N 3 1 213.369 1.060 20 0 BDADMP CCCCC[C@H](C)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246133862 987487481 /nfs/dbraw/zinc/48/74/81/987487481.db2.gz KHUKRCWLJIOWSU-UMSGYPCISA-N 2 1 226.364 1.532 20 0 BDADMP CCCC(CCC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246133850 987487607 /nfs/dbraw/zinc/48/76/07/987487607.db2.gz KETHTLOCWAPNHI-JHJVBQTASA-N 2 1 226.364 1.532 20 0 BDADMP C([NH2+]C1CCC2(C[NH2+]C2)CC1)[C@H]1CCCC[NH2+]1 ZINC001246167330 987529254 /nfs/dbraw/zinc/52/92/54/987529254.db2.gz FPTIGLZCPWJMLR-CYBMUJFWSA-N 3 1 237.391 1.250 20 0 BDADMP COc1ccc(CCCN[C@H]2CCC[NH2+]C2)cc1 ZINC001246167809 987530749 /nfs/dbraw/zinc/53/07/49/987530749.db2.gz GGNALJYVMQPUHO-AWEZNQCLSA-N 2 1 248.370 1.969 20 0 BDADMP COc1ccc(CCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246167809 987530752 /nfs/dbraw/zinc/53/07/52/987530752.db2.gz GGNALJYVMQPUHO-AWEZNQCLSA-N 2 1 248.370 1.969 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N)CC[NH2+]1 ZINC001246173443 987539674 /nfs/dbraw/zinc/53/96/74/987539674.db2.gz UBFVRMPTGZDZDV-JQWIXIFHSA-N 2 1 219.332 1.499 20 0 BDADMP CN(C)c1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246176770 987541288 /nfs/dbraw/zinc/54/12/88/987541288.db2.gz RWGIYGZKRYRXBB-AWEZNQCLSA-N 2 1 247.386 1.637 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC(=O)C(C)(C)C)CC[NH2+]1 ZINC001246175988 987541589 /nfs/dbraw/zinc/54/15/89/987541589.db2.gz ONOACEWRNRUPHY-UWVGGRQHSA-N 2 1 212.337 1.332 20 0 BDADMP C([NH2+][C@@H]1CCCCNC1)[C@@H]1CC12CC[NH2+]CC2 ZINC001246185673 987560473 /nfs/dbraw/zinc/56/04/73/987560473.db2.gz VHWWHQJLTNJYIE-QWHCGFSZSA-N 2 1 237.391 1.108 20 0 BDADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC001246186718 987565250 /nfs/dbraw/zinc/56/52/50/987565250.db2.gz GXNFPKQVVZLGOE-IJLUTSLNSA-N 2 1 240.347 1.060 20 0 BDADMP CC(C)[NH+]1CCC(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246193173 987584320 /nfs/dbraw/zinc/58/43/20/987584320.db2.gz UTEQYADZDGKPGA-AWEZNQCLSA-N 3 1 239.407 1.448 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246201020 987594223 /nfs/dbraw/zinc/59/42/23/987594223.db2.gz UDKUPUFIUITXLB-KGLIPLIRSA-N 3 1 241.423 1.696 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[NH2+]1 ZINC001246210680 987607282 /nfs/dbraw/zinc/60/72/82/987607282.db2.gz JMCDRYJEJJIFMD-VXGBXAGGSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC001246213100 987611004 /nfs/dbraw/zinc/61/10/04/987611004.db2.gz YNEXSQLLVGUJCN-CYDGBPFRSA-N 3 1 225.380 1.234 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246220883 987620512 /nfs/dbraw/zinc/62/05/12/987620512.db2.gz GUPQGTSLGDGGEW-QSLWVIQJSA-N 3 1 237.391 1.247 20 0 BDADMP C1C[C@]2(C[NH2+]1)CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC001246228197 987626270 /nfs/dbraw/zinc/62/62/70/987626270.db2.gz VKOXWZOJDPXKEM-MGPQQGTHSA-N 3 1 237.391 1.250 20 0 BDADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])CC2)C[NH2+]1 ZINC001246230845 987630211 /nfs/dbraw/zinc/63/02/11/987630211.db2.gz YNEXSQLLVGUJCN-FVCCEPFGSA-N 3 1 225.380 1.234 20 0 BDADMP CCOC(CC[NH2+][C@H]1CC[C@@H](C)NC1)OCC ZINC001246234132 987632317 /nfs/dbraw/zinc/63/23/17/987632317.db2.gz TXJWOZIEUOMBEO-NEPJUHHUSA-N 2 1 244.379 1.506 20 0 BDADMP OC[C@H]([NH2+]C1CC[NH2+]CC1)c1cccs1 ZINC001246255857 987651364 /nfs/dbraw/zinc/65/13/64/987651364.db2.gz CTNRXVDVLMRLIN-JTQLQIEISA-N 2 1 226.345 1.123 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCCCNC1)C1CC[NH2+]CC1 ZINC001246254622 987651415 /nfs/dbraw/zinc/65/14/15/987651415.db2.gz ZGABNNYBIKRNHQ-WCQYABFASA-N 2 1 225.380 1.106 20 0 BDADMP CCCC[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH3+])CC[NH2+]1 ZINC001246253494 987652427 /nfs/dbraw/zinc/65/24/27/987652427.db2.gz YSMLFWQYQSRZGB-STQMWFEESA-N 3 1 241.423 1.872 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2ncccc2O)CC[NH2+]1 ZINC001246267692 987663763 /nfs/dbraw/zinc/66/37/63/987663763.db2.gz VWGZIONRDMFMNC-VHSXEESVSA-N 2 1 221.304 1.017 20 0 BDADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246278651 987672675 /nfs/dbraw/zinc/67/26/75/987672675.db2.gz LFLJSVXCGUNDHM-CRWXNKLISA-N 3 1 239.407 1.767 20 0 BDADMP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246289935 987680504 /nfs/dbraw/zinc/68/05/04/987680504.db2.gz OUIMEJBKUPTEFK-CQSZACIVSA-N 2 1 232.327 1.721 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3ccnn32)CC[NH2+]1 ZINC001246291438 987681151 /nfs/dbraw/zinc/68/11/51/987681151.db2.gz INFVOAMCJXKJND-RYUDHWBXSA-N 2 1 244.342 1.564 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001474302594 987683371 /nfs/dbraw/zinc/68/33/71/987683371.db2.gz ZTWOQJDDBYHELJ-FPMFFAJLSA-N 2 1 248.374 1.456 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001474302594 987683376 /nfs/dbraw/zinc/68/33/76/987683376.db2.gz ZTWOQJDDBYHELJ-FPMFFAJLSA-N 2 1 248.374 1.456 20 0 BDADMP CCc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001474303105 987683645 /nfs/dbraw/zinc/68/36/45/987683645.db2.gz QHAPUVSGLVAFPX-SCDSUCTJSA-N 2 1 249.358 1.667 20 0 BDADMP CCc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001474303105 987683666 /nfs/dbraw/zinc/68/36/66/987683666.db2.gz QHAPUVSGLVAFPX-SCDSUCTJSA-N 2 1 249.358 1.667 20 0 BDADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC001246303238 987687165 /nfs/dbraw/zinc/68/71/65/987687165.db2.gz FCNOMCZCYWCNGA-NWDGAFQWSA-N 3 1 215.385 1.434 20 0 BDADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246298468 987693827 /nfs/dbraw/zinc/69/38/27/987693827.db2.gz BLNWAFJXNAGKFK-CYDGBPFRSA-N 2 1 228.380 1.371 20 0 BDADMP CCCC[C@H]1C[C@@H]([NH2+]CC[C@H](C)[NH3+])CC[NH2+]1 ZINC001246303343 987700438 /nfs/dbraw/zinc/70/04/38/987700438.db2.gz HNPSPSMMJSMMAP-AVGNSLFASA-N 3 1 227.396 1.624 20 0 BDADMP CC[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246310190 987711847 /nfs/dbraw/zinc/71/18/47/987711847.db2.gz ZNYGAXXHOJLTFB-YNEHKIRRSA-N 3 1 227.396 1.480 20 0 BDADMP c1cnc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC001246310137 987713560 /nfs/dbraw/zinc/71/35/60/987713560.db2.gz FSDMVRJNDILDHT-CYBMUJFWSA-N 2 1 217.316 1.411 20 0 BDADMP C[C@H]1C[C@H](NCc2ccccc2C[NH3+])CC[NH2+]1 ZINC001246322253 987728257 /nfs/dbraw/zinc/72/82/57/987728257.db2.gz GQJYTXSGCDDBPS-SMDDNHRTSA-N 2 1 233.359 1.375 20 0 BDADMP C[C@@H]1C[C@@H](NCc2ccccc2C[NH3+])CC[NH2+]1 ZINC001246322252 987729059 /nfs/dbraw/zinc/72/90/59/987729059.db2.gz GQJYTXSGCDDBPS-RISCZKNCSA-N 2 1 233.359 1.375 20 0 BDADMP C[NH2+]Cc1cccc(CNC2CC[NH2+]CC2)c1 ZINC001246326439 987731000 /nfs/dbraw/zinc/73/10/00/987731000.db2.gz VDYRONKGEOWFHK-UHFFFAOYSA-N 2 1 233.359 1.248 20 0 BDADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246329796 987734398 /nfs/dbraw/zinc/73/43/98/987734398.db2.gz XETDAVRYDCPBOG-QWHCGFSZSA-N 3 1 239.407 1.626 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246329794 987735606 /nfs/dbraw/zinc/73/56/06/987735606.db2.gz XETDAVRYDCPBOG-CHWSQXEVSA-N 3 1 239.407 1.626 20 0 BDADMP C[NH2+]C1CCC([NH2+][C@@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246333098 987741522 /nfs/dbraw/zinc/74/15/22/987741522.db2.gz UMBBWHSSHHRBDM-WXRRBKDZSA-N 3 1 239.407 1.495 20 0 BDADMP OC1CCC(CC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246337897 987744512 /nfs/dbraw/zinc/74/45/12/987744512.db2.gz XHXMSJGIHBRDRV-OTTFEQOBSA-N 2 1 226.364 1.269 20 0 BDADMP CC1([NH2+][C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC001246349400 987757788 /nfs/dbraw/zinc/75/77/88/987757788.db2.gz KQQATRLYNGVUNF-AWEZNQCLSA-N 2 1 230.355 1.886 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)N[C@@H]1CCC[NH2+]C1 ZINC001246351775 987759083 /nfs/dbraw/zinc/75/90/83/987759083.db2.gz NYZOSUCUURZMBE-DGCLKSJQSA-N 2 1 234.343 1.665 20 0 BDADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246351775 987759086 /nfs/dbraw/zinc/75/90/86/987759086.db2.gz NYZOSUCUURZMBE-DGCLKSJQSA-N 2 1 234.343 1.665 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CCO1 ZINC001246357776 987764914 /nfs/dbraw/zinc/76/49/14/987764914.db2.gz MDEAEKUMOUPLFY-IJLUTSLNSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246355592 987765651 /nfs/dbraw/zinc/76/56/51/987765651.db2.gz KCZVEERMAINSRY-SUNKGSAMSA-N 2 1 231.343 1.883 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+]C2CCC3(C[NH2+]C3)CC2)C[NH2+]1 ZINC001246380875 987777012 /nfs/dbraw/zinc/77/70/12/987777012.db2.gz YWUSHIITBRADNE-YPMHNXCESA-N 3 1 237.391 1.249 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CCC2)CC[NH2+]1 ZINC001246380911 987777361 /nfs/dbraw/zinc/77/73/61/987777361.db2.gz ZHSCUHRPDMHQIY-ZJUUUORDSA-N 2 1 200.301 1.609 20 0 BDADMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)CCO)CC1 ZINC001474607426 987778063 /nfs/dbraw/zinc/77/80/63/987778063.db2.gz PLRSYMODNGYKTA-GFCCVEGCSA-N 2 1 228.380 1.421 20 0 BDADMP C[C@@H]1CC[C@H](NCc2[nH+]cn3ccccc23)C[NH2+]1 ZINC001246393666 987780206 /nfs/dbraw/zinc/78/02/06/987780206.db2.gz HDCDWMUTOIKYHW-NEPJUHHUSA-N 2 1 244.342 1.564 20 0 BDADMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001246401473 987782721 /nfs/dbraw/zinc/78/27/21/987782721.db2.gz LNFZSBLKRQWGDC-TUAOUCFPSA-N 2 1 242.363 1.435 20 0 BDADMP c1[nH+]c(CN[C@@H]2CCC[NH2+]C2)c2ccccn12 ZINC001246393959 987784437 /nfs/dbraw/zinc/78/44/37/987784437.db2.gz IIKHVRLPNAHBDV-LLVKDONJSA-N 2 1 230.315 1.176 20 0 BDADMP CCC1(C[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC001246422807 987794887 /nfs/dbraw/zinc/79/48/87/987794887.db2.gz OCCUIYCBXBABDT-LBPRGKRZSA-N 3 1 225.380 1.108 20 0 BDADMP CCC1([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCOCC1 ZINC001246442443 987797661 /nfs/dbraw/zinc/79/76/61/987797661.db2.gz SGKMPFVQGQLFJQ-NWDGAFQWSA-N 2 1 226.364 1.676 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246446296 987805359 /nfs/dbraw/zinc/80/53/59/987805359.db2.gz BYYSLMGSINPATM-AGIUHOORSA-N 3 1 225.380 1.093 20 0 BDADMP C[C@H]1C[C@H](NC2C[NH+](C(C)(C)C)C2)CC[NH2+]1 ZINC001246449449 987805558 /nfs/dbraw/zinc/80/55/58/987805558.db2.gz WNRIBLJVTUQHPH-WDEREUQCSA-N 2 1 225.380 1.199 20 0 BDADMP CCCC(CCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246455726 987812194 /nfs/dbraw/zinc/81/21/94/987812194.db2.gz YBJQAGIJBICUQN-UHFFFAOYSA-N 3 1 229.412 1.873 20 0 BDADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246460213 987819256 /nfs/dbraw/zinc/81/92/56/987819256.db2.gz DKMGUXNYRYURIF-RWMBFGLXSA-N 3 1 225.380 1.201 20 0 BDADMP COc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)ccn1 ZINC001246468987 987827542 /nfs/dbraw/zinc/82/75/42/987827542.db2.gz FLBHLXGWPBYXJA-JTQLQIEISA-N 2 1 235.331 1.493 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246478888 987837871 /nfs/dbraw/zinc/83/78/71/987837871.db2.gz PLERDHRVALCBGQ-XQQFMLRXSA-N 2 1 225.380 1.330 20 0 BDADMP CCCCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246491036 987846410 /nfs/dbraw/zinc/84/64/10/987846410.db2.gz SGWLYFQQYQQRFJ-KBPBESRZSA-N 2 1 241.423 1.886 20 0 BDADMP CCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246492402 987846768 /nfs/dbraw/zinc/84/67/68/987846768.db2.gz WYRNTTCXVXCKJR-VXGBXAGGSA-N 2 1 213.369 1.106 20 0 BDADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246498209 987852531 /nfs/dbraw/zinc/85/25/31/987852531.db2.gz GZCXZGAYQOGEGZ-NDBYEHHHSA-N 2 1 226.364 1.674 20 0 BDADMP C[N@H+]1CCC[C@H](N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508731 987861342 /nfs/dbraw/zinc/86/13/42/987861342.db2.gz YLVKQEVWCVXEAN-LSDHHAIUSA-N 2 1 247.386 1.760 20 0 BDADMP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246513420 987861582 /nfs/dbraw/zinc/86/15/82/987861582.db2.gz WEMSFTNVCNOJAV-JXQTWKCFSA-N 3 1 239.407 1.448 20 0 BDADMP CO[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246516764 987862996 /nfs/dbraw/zinc/86/29/96/987862996.db2.gz UGHBXGAERSXSMP-ZDEQEGDKSA-N 2 1 226.364 1.674 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCO1 ZINC001246517664 987866379 /nfs/dbraw/zinc/86/63/79/987866379.db2.gz AUPLNLCSAGTSBA-KXNHARMFSA-N 2 1 212.337 1.284 20 0 BDADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC001246517396 987866766 /nfs/dbraw/zinc/86/67/66/987866766.db2.gz KZPIWQCHWRMXHU-QNMSZWNNSA-N 3 1 237.391 1.103 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCNCC1 ZINC001246526541 987877845 /nfs/dbraw/zinc/87/78/45/987877845.db2.gz YXHJMEPLUKTXHD-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[NH2+]CC1 ZINC001246526541 987877834 /nfs/dbraw/zinc/87/78/34/987877834.db2.gz YXHJMEPLUKTXHD-AWEZNQCLSA-N 3 1 241.423 1.792 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)N1CCC[NH2+]CC1 ZINC001246526541 987877836 /nfs/dbraw/zinc/87/78/36/987877836.db2.gz YXHJMEPLUKTXHD-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCNCC1 ZINC001246526541 987877840 /nfs/dbraw/zinc/87/78/40/987877840.db2.gz YXHJMEPLUKTXHD-AWEZNQCLSA-N 2 1 241.423 1.792 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@@H+]1CCC[NH2+]CC1 ZINC001246526514 987879130 /nfs/dbraw/zinc/87/91/30/987879130.db2.gz YOLAEENMJZASLH-LBPRGKRZSA-N 2 1 219.332 1.308 20 0 BDADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[NH2+]CC1 ZINC001246526514 987879135 /nfs/dbraw/zinc/87/91/35/987879135.db2.gz YOLAEENMJZASLH-LBPRGKRZSA-N 2 1 219.332 1.308 20 0 BDADMP C[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CC[NH2+]1 ZINC001246528304 987882153 /nfs/dbraw/zinc/88/21/53/987882153.db2.gz VUJPJYMZGFDCPT-MNOVXSKESA-N 3 1 222.336 1.087 20 0 BDADMP C1CC12CCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246533338 987891012 /nfs/dbraw/zinc/89/10/12/987891012.db2.gz CXWJYEYKDJMHQL-FOSCPWQOSA-N 2 1 206.333 1.898 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2C[C@H](O)C[C@H]([NH3+])C2)CC(C)(C)C1 ZINC001246538104 987896848 /nfs/dbraw/zinc/89/68/48/987896848.db2.gz GLTNDKPBYKVZCB-MROQNXINSA-N 2 1 240.391 1.595 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H](O)C[C@H]([NH3+])C2)CC(C)(C)C1 ZINC001246538104 987896851 /nfs/dbraw/zinc/89/68/51/987896851.db2.gz GLTNDKPBYKVZCB-MROQNXINSA-N 2 1 240.391 1.595 20 0 BDADMP CO[C@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246541332 987911775 /nfs/dbraw/zinc/91/17/75/987911775.db2.gz GPSUYIVVVBSXFX-NOOOWODRSA-N 2 1 212.337 1.366 20 0 BDADMP CCC(CC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542184 987912004 /nfs/dbraw/zinc/91/20/04/987912004.db2.gz JMYCJQDHMSOQGH-GFCCVEGCSA-N 2 1 214.353 1.351 20 0 BDADMP CSCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246542993 987912171 /nfs/dbraw/zinc/91/21/71/987912171.db2.gz QWVGDQBZCUZRCU-GARJFASQSA-N 2 1 216.394 1.655 20 0 BDADMP CC[C@H]1C[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCO1 ZINC001246541475 987913733 /nfs/dbraw/zinc/91/37/33/987913733.db2.gz LSBPDULUYBABJV-LOWDOPEQSA-N 2 1 226.364 1.471 20 0 BDADMP CC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545602 987917160 /nfs/dbraw/zinc/91/71/60/987917160.db2.gz BWALIAQWCDLAIY-GHMZBOCLSA-N 2 1 202.317 1.938 20 0 BDADMP CCCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246544210 987919309 /nfs/dbraw/zinc/91/93/09/987919309.db2.gz PMPFLUVEYDFWBS-STQMWFEESA-N 2 1 228.380 1.741 20 0 BDADMP CC(C)COCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544275 987921990 /nfs/dbraw/zinc/92/19/90/987921990.db2.gz XACIWYNMOOOJQV-BFHYXJOUSA-N 2 1 242.407 1.964 20 0 BDADMP C[C@H]1CC[C@H]([NH+]2CCC3(CCOC3)CC2)C[NH2+]1 ZINC001246545560 987923025 /nfs/dbraw/zinc/92/30/25/987923025.db2.gz GYVMNNHZPSGGPN-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP C1CC2(CO1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246546628 987928757 /nfs/dbraw/zinc/92/87/57/987928757.db2.gz LDWNKQUDCPSGGY-UHFFFAOYSA-N 2 1 224.348 1.241 20 0 BDADMP C[C@@H]1CC[N@H+](C2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001246553973 987948052 /nfs/dbraw/zinc/94/80/52/987948052.db2.gz ALZIPVXPWIIPRF-VXGBXAGGSA-N 2 1 225.380 1.045 20 0 BDADMP CC1(C)C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CO1 ZINC001246551697 987955127 /nfs/dbraw/zinc/95/51/27/987955127.db2.gz MLQZNXIRPRXCIN-AAEUAGOBSA-N 2 1 226.364 1.757 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553458 987957763 /nfs/dbraw/zinc/95/77/63/987957763.db2.gz SJPZZPIPAWNCTD-QWRGUYRKSA-N 2 1 200.326 1.225 20 0 BDADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCCOC2)CC1 ZINC001246553849 987959154 /nfs/dbraw/zinc/95/91/54/987959154.db2.gz SRPOZHDXVBAJTG-RYUDHWBXSA-N 2 1 212.337 1.369 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)CC1 ZINC001246556003 987965352 /nfs/dbraw/zinc/96/53/52/987965352.db2.gz YDRMPDZHZMXFQI-QWHCGFSZSA-N 3 1 237.391 1.332 20 0 BDADMP C[C@@]1([NH3+])CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246555442 987969412 /nfs/dbraw/zinc/96/94/12/987969412.db2.gz XPTZBXVIQNEZDU-QNMSZWNNSA-N 3 1 235.375 1.249 20 0 BDADMP C[C@@]1([NH3+])CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC1 ZINC001246555442 987969421 /nfs/dbraw/zinc/96/94/21/987969421.db2.gz XPTZBXVIQNEZDU-QNMSZWNNSA-N 3 1 235.375 1.249 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCO1 ZINC001246555354 987970165 /nfs/dbraw/zinc/97/01/65/987970165.db2.gz DUEHSHMGSRWCKP-RFGFWPKPSA-N 2 1 240.391 1.861 20 0 BDADMP CCCC[C@@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246557921 987972998 /nfs/dbraw/zinc/97/29/98/987972998.db2.gz JHGVFRPSZNQFEP-OLZOCXBDSA-N 2 1 228.380 1.741 20 0 BDADMP CC[N@H+]1CC[C@@H](N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246560267 987983284 /nfs/dbraw/zinc/98/32/84/987983284.db2.gz QFCNVQKIQCYVOG-CHWSQXEVSA-N 2 1 243.370 1.234 20 0 BDADMP CCN1CC[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246560267 987983263 /nfs/dbraw/zinc/98/32/63/987983263.db2.gz QFCNVQKIQCYVOG-CHWSQXEVSA-N 2 1 243.370 1.234 20 0 BDADMP CC[N@@H+]1CC[C@@H](N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246560267 987983274 /nfs/dbraw/zinc/98/32/74/987983274.db2.gz QFCNVQKIQCYVOG-CHWSQXEVSA-N 2 1 243.370 1.234 20 0 BDADMP CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C1 ZINC001246560098 987987815 /nfs/dbraw/zinc/98/78/15/987987815.db2.gz PONYWERFHWPMQD-IHRRRGAJSA-N 2 1 239.407 1.387 20 0 BDADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1[NH3+] ZINC001246566079 988032321 /nfs/dbraw/zinc/03/23/21/988032321.db2.gz DYCGIRRTSHLBBX-PEBLQZBPSA-N 2 1 237.391 1.281 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246568508 988040111 /nfs/dbraw/zinc/04/01/11/988040111.db2.gz OPSAFIYFDKDCOS-SDDRHHMPSA-N 2 1 214.353 1.328 20 0 BDADMP CCOCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246571997 988061452 /nfs/dbraw/zinc/06/14/52/988061452.db2.gz SZOWMHOZGKNKLM-QJPTWQEYSA-N 2 1 232.343 1.563 20 0 BDADMP CCOCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246571997 988061468 /nfs/dbraw/zinc/06/14/68/988061468.db2.gz SZOWMHOZGKNKLM-QJPTWQEYSA-N 2 1 232.343 1.563 20 0 BDADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH2+]CC2)CCC[C@H]1C[NH3+] ZINC001246571858 988062431 /nfs/dbraw/zinc/06/24/31/988062431.db2.gz XJUCSLJADULJPP-RDBSUJKOSA-N 3 1 239.407 1.435 20 0 BDADMP C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1F ZINC001246571825 988062660 /nfs/dbraw/zinc/06/26/60/988062660.db2.gz NHYSDQOENQLTNN-NOOOWODRSA-N 2 1 214.328 1.807 20 0 BDADMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1F ZINC001246571825 988062673 /nfs/dbraw/zinc/06/26/73/988062673.db2.gz NHYSDQOENQLTNN-NOOOWODRSA-N 2 1 214.328 1.807 20 0 BDADMP CCCCC(CCCC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246574638 988074152 /nfs/dbraw/zinc/07/41/52/988074152.db2.gz APUWKOWNOCRUBI-GXTWGEPZSA-N 2 1 242.407 1.987 20 0 BDADMP COC[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246577182 988091961 /nfs/dbraw/zinc/09/19/61/988091961.db2.gz NHSJEAAPDZASPZ-NEPJUHHUSA-N 2 1 214.353 1.472 20 0 BDADMP C[C@H]1C[C@H]([N@@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578783 988101433 /nfs/dbraw/zinc/10/14/33/988101433.db2.gz CDRDBMXQOIDGNI-BFHYXJOUSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246578783 988101477 /nfs/dbraw/zinc/10/14/77/988101477.db2.gz CDRDBMXQOIDGNI-BFHYXJOUSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)C[C@H]1C ZINC001246580212 988110274 /nfs/dbraw/zinc/11/02/74/988110274.db2.gz LBKOUFCQXWAAIJ-NAWOPXAZSA-N 2 1 226.364 1.063 20 0 BDADMP C[C@@H]1CC[C@@H]([NH+]2CCC(CC[NH3+])CC2)C[NH2+]1 ZINC001246581575 988113667 /nfs/dbraw/zinc/11/36/67/988113667.db2.gz RTIZGAVJSPUBTP-DGCLKSJQSA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246583031 988120237 /nfs/dbraw/zinc/12/02/37/988120237.db2.gz IJRSNOVVRGQGIN-ZOBORPQBSA-N 2 1 242.407 1.699 20 0 BDADMP C[NH2+]C1CCC([N@@H+]2[C@H](C)CNC[C@@H]2C)CC1 ZINC001246585322 988136323 /nfs/dbraw/zinc/13/63/23/988136323.db2.gz GRJYTLRKNHRAAD-MPEURRAXSA-N 2 1 225.380 1.199 20 0 BDADMP C[NH2+]C1CCC(N2[C@H](C)C[NH2+]C[C@@H]2C)CC1 ZINC001246585322 988136325 /nfs/dbraw/zinc/13/63/25/988136325.db2.gz GRJYTLRKNHRAAD-MPEURRAXSA-N 2 1 225.380 1.199 20 0 BDADMP CCCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246589194 988157564 /nfs/dbraw/zinc/15/75/64/988157564.db2.gz ZJIWXNJURGZAOU-RWMBFGLXSA-N 2 1 228.380 1.597 20 0 BDADMP CCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246588771 988159073 /nfs/dbraw/zinc/15/90/73/988159073.db2.gz XQTIKJSSXCLNDE-SDDRHHMPSA-N 2 1 214.353 1.207 20 0 BDADMP C[C@@H]1C[C@H]([N@H+]2CC[C@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246590332 988164731 /nfs/dbraw/zinc/16/47/31/988164731.db2.gz SKCKKNFFUBYMSJ-LOWDOPEQSA-N 2 1 226.364 1.220 20 0 BDADMP CC1(C[NH3+])C[NH+](C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001246595362 988185582 /nfs/dbraw/zinc/18/55/82/988185582.db2.gz HKRFLUSCXOFTRS-NXEZZACHSA-N 2 1 222.332 1.025 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCSC2)CC[C@H]1F ZINC001246596069 988197369 /nfs/dbraw/zinc/19/73/69/988197369.db2.gz YTBXEJDAXWDAJD-GMTAPVOTSA-N 2 1 232.368 1.643 20 0 BDADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCSC2)CC[C@H]1F ZINC001246596069 988197378 /nfs/dbraw/zinc/19/73/78/988197378.db2.gz YTBXEJDAXWDAJD-GMTAPVOTSA-N 2 1 232.368 1.643 20 0 BDADMP CCC[C@@H](CC)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246599773 988203616 /nfs/dbraw/zinc/20/36/16/988203616.db2.gz DSDVGACPEAOJIK-CYBMUJFWSA-N 2 1 239.407 1.593 20 0 BDADMP C1C[N@@H+]([C@H]2CCCOCC2)[C@@]2(C1)CCC[NH2+]C2 ZINC001246606323 988225982 /nfs/dbraw/zinc/22/59/82/988225982.db2.gz DSKHWVQDVGCRCY-UONOGXRCSA-N 2 1 238.375 1.774 20 0 BDADMP CCC(CC)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246618455 988252148 /nfs/dbraw/zinc/25/21/48/988252148.db2.gz LEKBYORABAASMB-STQMWFEESA-N 2 1 225.380 1.201 20 0 BDADMP CC(C)[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001495816827 988257991 /nfs/dbraw/zinc/25/79/91/988257991.db2.gz WFELWZWWZAHHBF-LBPRGKRZSA-N 2 1 243.395 1.077 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616253 988260763 /nfs/dbraw/zinc/26/07/63/988260763.db2.gz AKEKWACCMHHPTQ-RDBSUJKOSA-N 2 1 238.375 1.772 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246622177 988265986 /nfs/dbraw/zinc/26/59/86/988265986.db2.gz FWNSZZWMHLWQEO-NDBYEHHHSA-N 2 1 224.348 1.095 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC001246622177 988265996 /nfs/dbraw/zinc/26/59/96/988265996.db2.gz FWNSZZWMHLWQEO-NDBYEHHHSA-N 2 1 224.348 1.095 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246624905 988277828 /nfs/dbraw/zinc/27/78/28/988277828.db2.gz GPOXMRSGEIVUFB-GFCCVEGCSA-N 3 1 243.370 1.234 20 0 BDADMP CN1CCC[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246624905 988277842 /nfs/dbraw/zinc/27/78/42/988277842.db2.gz GPOXMRSGEIVUFB-GFCCVEGCSA-N 2 1 243.370 1.234 20 0 BDADMP CCCC(CCC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246623969 988281675 /nfs/dbraw/zinc/28/16/75/988281675.db2.gz NBGFFRFDCKOIGD-TZMCWYRMSA-N 2 1 240.391 1.875 20 0 BDADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246629711 988310966 /nfs/dbraw/zinc/31/09/66/988310966.db2.gz FZABYFZXUGTVPB-QNWHQSFQSA-N 2 1 224.348 1.380 20 0 BDADMP OCC[C@@H]1CC12CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246632145 988315379 /nfs/dbraw/zinc/31/53/79/988315379.db2.gz ZJXYWUJELIKJSQ-CHWSQXEVSA-N 2 1 238.375 1.223 20 0 BDADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246636974 988329349 /nfs/dbraw/zinc/32/93/49/988329349.db2.gz HXPVRXZXRIXPGR-XLWJZTARSA-N 3 1 249.402 1.438 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246641950 988345476 /nfs/dbraw/zinc/34/54/76/988345476.db2.gz ALKNEEBHRNCOHC-OLZOCXBDSA-N 3 1 237.391 1.345 20 0 BDADMP C[C@@H]1C[C@@H](N2CCCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246641950 988345491 /nfs/dbraw/zinc/34/54/91/988345491.db2.gz ALKNEEBHRNCOHC-OLZOCXBDSA-N 2 1 237.391 1.345 20 0 BDADMP CCCC[C@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645076 988355032 /nfs/dbraw/zinc/35/50/32/988355032.db2.gz SUDBVWPDLYQOBX-QWHCGFSZSA-N 2 1 225.380 1.202 20 0 BDADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC[NH2+]1 ZINC001246661749 988396311 /nfs/dbraw/zinc/39/63/11/988396311.db2.gz HWWDQJPFDIZDQZ-RFQIPJPRSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)CC[C@H]2O1 ZINC001246690173 988437428 /nfs/dbraw/zinc/43/74/28/988437428.db2.gz BBZMUXUDSYXSLM-ZDEQEGDKSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@H]3CCC[NH2+]C3)CC[C@H]2O1 ZINC001246690173 988437431 /nfs/dbraw/zinc/43/74/31/988437431.db2.gz BBZMUXUDSYXSLM-ZDEQEGDKSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[NH2+][C@@H](C)C3)CC[C@H]2O1 ZINC001246696758 988445331 /nfs/dbraw/zinc/44/53/31/988445331.db2.gz RIDFXONPITXUFW-HTVCTNPSSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)CC[C@H]2O1 ZINC001246696758 988445338 /nfs/dbraw/zinc/44/53/38/988445338.db2.gz RIDFXONPITXUFW-HTVCTNPSSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC[C@H]2O1 ZINC001246699668 988447452 /nfs/dbraw/zinc/44/74/52/988447452.db2.gz YEWCUPXBLAJIEH-MBJXGIAVSA-N 2 1 238.375 1.626 20 0 BDADMP C[C@H]1C[C@H]2C[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC[C@H]2O1 ZINC001246699668 988447455 /nfs/dbraw/zinc/44/74/55/988447455.db2.gz YEWCUPXBLAJIEH-MBJXGIAVSA-N 2 1 238.375 1.626 20 0 BDADMP CC(C)[N@@H+](CC1CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246790270 988468697 /nfs/dbraw/zinc/46/86/97/988468697.db2.gz MUAFMARPFIYRBS-ZDUSSCGKSA-N 2 1 237.391 1.201 20 0 BDADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[nH]n1 ZINC001323331458 988498320 /nfs/dbraw/zinc/49/83/20/988498320.db2.gz PTFMSCPMMWSEKR-TZMCWYRMSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n[nH]1 ZINC001323331458 988498325 /nfs/dbraw/zinc/49/83/25/988498325.db2.gz PTFMSCPMMWSEKR-TZMCWYRMSA-N 2 1 248.374 1.634 20 0 BDADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n[nH]1 ZINC001323331458 988498332 /nfs/dbraw/zinc/49/83/32/988498332.db2.gz PTFMSCPMMWSEKR-TZMCWYRMSA-N 2 1 248.374 1.634 20 0 BDADMP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@H]3CCC[C@@H]31)CCN2 ZINC001246822291 988508634 /nfs/dbraw/zinc/50/86/34/988508634.db2.gz YCTVJRIZIZXZEV-MCIONIFRSA-N 2 1 249.402 1.345 20 0 BDADMP CC[C@H]1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246849106 988562983 /nfs/dbraw/zinc/56/29/83/988562983.db2.gz PZYRVLCPVYRDPC-STQMWFEESA-N 2 1 237.391 1.202 20 0 BDADMP CC(C)OCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246852653 988568264 /nfs/dbraw/zinc/56/82/64/988568264.db2.gz JIGNGHMGFMTYAX-AVGNSLFASA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)OCC[C@H](C)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246852653 988568269 /nfs/dbraw/zinc/56/82/69/988568269.db2.gz JIGNGHMGFMTYAX-AVGNSLFASA-N 2 1 226.364 1.613 20 0 BDADMP CCCC[C@@H](CC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860095 988587844 /nfs/dbraw/zinc/58/78/44/988587844.db2.gz NMSLQCZDYQYTJK-RBKKPWLPSA-N 2 1 240.391 1.861 20 0 BDADMP CCCC[C@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246862604 988600445 /nfs/dbraw/zinc/60/04/45/988600445.db2.gz UTMUHLJBZLCCLB-ACJTYDJDSA-N 2 1 226.364 1.471 20 0 BDADMP [NH3+][C@]12CC[C@H]1C[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865045 988608999 /nfs/dbraw/zinc/60/89/99/988608999.db2.gz XPWNYDBFWNKCTD-PPWQZUPISA-N 3 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@H]1C[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865045 988609003 /nfs/dbraw/zinc/60/90/03/988609003.db2.gz XPWNYDBFWNKCTD-PPWQZUPISA-N 2 1 249.402 1.332 20 0 BDADMP N[C@]12CC[C@H]1C[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246865045 988609018 /nfs/dbraw/zinc/60/90/18/988609018.db2.gz XPWNYDBFWNKCTD-PPWQZUPISA-N 2 1 249.402 1.332 20 0 BDADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[NH2+][C@H](C)C1 ZINC001246875724 988643401 /nfs/dbraw/zinc/64/34/01/988643401.db2.gz LIWMOJBHNZBWTM-JABUTEAWSA-N 2 1 238.375 1.769 20 0 BDADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCCC[NH3+])C[C@H](CC)[NH2+]1 ZINC001246890576 988659124 /nfs/dbraw/zinc/65/91/24/988659124.db2.gz IKVDNDKSPMDCAS-BTTYYORXSA-N 3 1 241.423 1.966 20 0 BDADMP CC[N@H+](CCNC)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246890715 988659624 /nfs/dbraw/zinc/65/96/24/988659624.db2.gz KVNGMMMKTXVKMY-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP CC[N@@H+](CCNC)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246890715 988659631 /nfs/dbraw/zinc/65/96/31/988659631.db2.gz KVNGMMMKTXVKMY-KGLIPLIRSA-N 2 1 239.407 1.450 20 0 BDADMP C1COCC2(C1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246898160 988670036 /nfs/dbraw/zinc/67/00/36/988670036.db2.gz MJYADETUTTYSRE-UHFFFAOYSA-N 2 1 238.375 1.631 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]1C[NH3+])C2 ZINC001246906925 988682566 /nfs/dbraw/zinc/68/25/66/988682566.db2.gz CKWSKXZZSYTEAV-ZIAGYGMSSA-N 2 1 246.354 1.586 20 0 BDADMP COc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H]1C[NH3+])C2 ZINC001246906925 988682581 /nfs/dbraw/zinc/68/25/81/988682581.db2.gz CKWSKXZZSYTEAV-ZIAGYGMSSA-N 2 1 246.354 1.586 20 0 BDADMP [NH3+]C[C@H]1CCC[N@@H+]1C1CCC2(COC2)CC1 ZINC001246913011 988694724 /nfs/dbraw/zinc/69/47/24/988694724.db2.gz IZKDEHQMLOUWIX-GFCCVEGCSA-N 2 1 224.348 1.369 20 0 BDADMP [NH3+]C[C@H]1CCC[N@H+]1C1CCC2(COC2)CC1 ZINC001246913011 988694742 /nfs/dbraw/zinc/69/47/42/988694742.db2.gz IZKDEHQMLOUWIX-GFCCVEGCSA-N 2 1 224.348 1.369 20 0 BDADMP C[C@@H]1C[C@H]([NH+]2CC3(CSC3)C2)CC[NH2+]1 ZINC001246950828 988787992 /nfs/dbraw/zinc/78/79/92/988787992.db2.gz XXQIBINEBFFOJV-NXEZZACHSA-N 2 1 212.362 1.176 20 0 BDADMP CCC[N@@H+]1C[C@H]2CN(C3CC[NH2+]CC3)C[C@H]2C1 ZINC001246940080 988774647 /nfs/dbraw/zinc/77/46/47/988774647.db2.gz IDDCERKFGRMGPV-BETUJISGSA-N 2 1 237.391 1.012 20 0 BDADMP CCC[N@H+]1C[C@@H]2C[NH+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246940080 988774658 /nfs/dbraw/zinc/77/46/58/988774658.db2.gz IDDCERKFGRMGPV-BETUJISGSA-N 3 1 237.391 1.012 20 0 BDADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246940080 988774664 /nfs/dbraw/zinc/77/46/64/988774664.db2.gz IDDCERKFGRMGPV-BETUJISGSA-N 3 1 237.391 1.012 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246940080 988774672 /nfs/dbraw/zinc/77/46/72/988774672.db2.gz IDDCERKFGRMGPV-BETUJISGSA-N 3 1 237.391 1.012 20 0 BDADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246940080 988774680 /nfs/dbraw/zinc/77/46/80/988774680.db2.gz IDDCERKFGRMGPV-BETUJISGSA-N 3 1 237.391 1.012 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CC3(CSC3)C2)CC[NH2+]1 ZINC001246950829 988785362 /nfs/dbraw/zinc/78/53/62/988785362.db2.gz XXQIBINEBFFOJV-UWVGGRQHSA-N 2 1 212.362 1.176 20 0 BDADMP CC[N@@H+](C)C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246949951 988787035 /nfs/dbraw/zinc/78/70/35/988787035.db2.gz MQDODJBPZSDSKZ-CYBMUJFWSA-N 2 1 225.380 1.155 20 0 BDADMP CC[N@H+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246996248 988828055 /nfs/dbraw/zinc/82/80/55/988828055.db2.gz WSHLPLDFTKJRBW-OLZOCXBDSA-N 2 1 239.407 1.543 20 0 BDADMP CC[N@H+]1CCN([C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC001246995259 988830248 /nfs/dbraw/zinc/83/02/48/988830248.db2.gz SNSVGWPSNXLGAU-LBPRGKRZSA-N 2 1 225.380 1.155 20 0 BDADMP CC[N@H+]1CC[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247005141 988837083 /nfs/dbraw/zinc/83/70/83/988837083.db2.gz GERRHROTXWKCAJ-MELADBBJSA-N 2 1 237.391 1.155 20 0 BDADMP COc1cc2[nH+]c(CCC[NH3+])[nH]c2cc1C ZINC001247010643 988837436 /nfs/dbraw/zinc/83/74/36/988837436.db2.gz KPDAJZYKQVGHEX-UHFFFAOYSA-N 2 1 219.288 1.771 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001247012506 988841615 /nfs/dbraw/zinc/84/16/15/988841615.db2.gz DVHPTRSUTRKMCP-RWMBFGLXSA-N 2 1 240.416 1.956 20 0 BDADMP C1C[NH2+][C@@H]2CC[N@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001247012506 988841618 /nfs/dbraw/zinc/84/16/18/988841618.db2.gz DVHPTRSUTRKMCP-RWMBFGLXSA-N 2 1 240.416 1.956 20 0 BDADMP C[NH+]1CCC2(CCC[N@H+]2Cc2c[nH]cn2)CC1 ZINC001119447782 989081870 /nfs/dbraw/zinc/08/18/70/989081870.db2.gz AUNPGKSXEKVAMO-UHFFFAOYSA-N 2 1 234.347 1.470 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccnc(N)n1 ZINC001515702799 989104657 /nfs/dbraw/zinc/10/46/57/989104657.db2.gz QTLCBICEMKSTHR-SNVBAGLBSA-N 2 1 249.362 1.591 20 0 BDADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc[nH+]c(N)n1 ZINC001515702799 989104663 /nfs/dbraw/zinc/10/46/63/989104663.db2.gz QTLCBICEMKSTHR-SNVBAGLBSA-N 2 1 249.362 1.591 20 0 BDADMP C[N@H+]1CCCC(C)(C)[C@H]1CNc1cc[nH+]c(N)n1 ZINC001515702799 989104668 /nfs/dbraw/zinc/10/46/68/989104668.db2.gz QTLCBICEMKSTHR-SNVBAGLBSA-N 2 1 249.362 1.591 20 0 BDADMP C[C@H](C[NH+]1CCC(C)CC1)Nc1cc[nH+]c(N)n1 ZINC001515891209 989126985 /nfs/dbraw/zinc/12/69/85/989126985.db2.gz ILUUNWYNFNXWSX-LLVKDONJSA-N 2 1 249.362 1.591 20 0 BDADMP C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc[nH+]c(N)n1 ZINC001515891213 989127709 /nfs/dbraw/zinc/12/77/09/989127709.db2.gz ILUUNWYNFNXWSX-NSHDSACASA-N 2 1 249.362 1.591 20 0 BDADMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1F ZINC001325273225 989137286 /nfs/dbraw/zinc/13/72/86/989137286.db2.gz QJHSFKJCPKFEHK-RKDXNWHRSA-N 2 1 226.295 1.660 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccccc1OC ZINC001325320405 989149668 /nfs/dbraw/zinc/14/96/68/989149668.db2.gz PVYPMSFAUBWVEQ-LLVKDONJSA-N 2 1 222.332 1.783 20 0 BDADMP Cc1cccnc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001119683602 989331529 /nfs/dbraw/zinc/33/15/29/989331529.db2.gz DEPWSAKTHMGFFO-QWHCGFSZSA-N 2 1 231.343 1.431 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(C[C@H]2CCC[NH+]2C)C[C@H]1C ZINC001119693211 989342020 /nfs/dbraw/zinc/34/20/20/989342020.db2.gz WBGBXZNRAKJZEC-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1C[C@@H](C)N(C[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001119693211 989342027 /nfs/dbraw/zinc/34/20/27/989342027.db2.gz WBGBXZNRAKJZEC-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP CC[NH+]1C[C@@H](C)N(C[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001119693211 989342033 /nfs/dbraw/zinc/34/20/33/989342033.db2.gz WBGBXZNRAKJZEC-MGPQQGTHSA-N 2 1 239.407 1.495 20 0 BDADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1F ZINC001326074579 989366346 /nfs/dbraw/zinc/36/63/46/989366346.db2.gz FGDTYWJZLWSCEO-LBPRGKRZSA-N 2 1 238.306 1.661 20 0 BDADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC001326472613 989567097 /nfs/dbraw/zinc/56/70/97/989567097.db2.gz DJAKZHYSHOUCOD-WOPDTQHZSA-N 3 1 213.369 1.092 20 0 BDADMP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1 ZINC001120779724 989877710 /nfs/dbraw/zinc/87/77/10/989877710.db2.gz NMMHRSRSMYUKRD-GXTWGEPZSA-N 2 1 247.342 1.381 20 0 BDADMP C[C@@H]1CCC[N@H+](CCNc2cc[nH+]c(N)n2)C1 ZINC001120883641 989945902 /nfs/dbraw/zinc/94/59/02/989945902.db2.gz KHCHEEZFNQSWHH-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCNc2cc[nH+]c(N)n2)C1 ZINC001120883641 989945915 /nfs/dbraw/zinc/94/59/15/989945915.db2.gz KHCHEEZFNQSWHH-SNVBAGLBSA-N 2 1 235.335 1.203 20 0 BDADMP CC1(C[NH3+])CN(Cc2[nH+]cn3ccccc23)C1 ZINC001206729910 991112212 /nfs/dbraw/zinc/11/22/12/991112212.db2.gz LDEFQYHLPCHGCM-UHFFFAOYSA-N 2 1 230.315 1.115 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCn3ccnc32)C1 ZINC001308810476 991152925 /nfs/dbraw/zinc/15/29/25/991152925.db2.gz GWPCAHVXKSUSPZ-STQMWFEESA-N 2 1 248.374 1.649 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001258363280 991301894 /nfs/dbraw/zinc/30/18/94/991301894.db2.gz GASULRMQYAWXKX-GRYCIOLGSA-N 2 1 242.363 1.258 20 0 BDADMP COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001258363280 991301901 /nfs/dbraw/zinc/30/19/01/991301901.db2.gz GASULRMQYAWXKX-GRYCIOLGSA-N 2 1 242.363 1.258 20 0 BDADMP CCOC(=O)CC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001258472773 991440843 /nfs/dbraw/zinc/44/08/43/991440843.db2.gz HOBOBYZZCOGXPY-VIFPVBQESA-N 2 1 216.325 1.045 20 0 BDADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1cccnc1 ZINC001258615197 991540983 /nfs/dbraw/zinc/54/09/83/991540983.db2.gz FCVAAWNYXHIBAB-RYUDHWBXSA-N 2 1 221.348 1.539 20 0 BDADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC001560763911 991586886 /nfs/dbraw/zinc/58/68/86/991586886.db2.gz QHXLUUVRKLWQFF-KGLIPLIRSA-N 2 1 238.375 1.033 20 0 BDADMP CCCCC[C@H](CCC)[N@H+](CC[NH3+])CCO ZINC001258660932 991591849 /nfs/dbraw/zinc/59/18/49/991591849.db2.gz AQNUKRABKJUFNJ-ZDUSSCGKSA-N 2 1 230.396 1.988 20 0 BDADMP CCCCC[C@H](CCC)[N@@H+](CC[NH3+])CCO ZINC001258660932 991591863 /nfs/dbraw/zinc/59/18/63/991591863.db2.gz AQNUKRABKJUFNJ-ZDUSSCGKSA-N 2 1 230.396 1.988 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[nH]n1 ZINC001318367991 991651002 /nfs/dbraw/zinc/65/10/02/991651002.db2.gz PKOPNIKOAYYGRU-LLVKDONJSA-N 2 1 234.347 1.292 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[nH]n1 ZINC001318367991 991651006 /nfs/dbraw/zinc/65/10/06/991651006.db2.gz PKOPNIKOAYYGRU-LLVKDONJSA-N 2 1 234.347 1.292 20 0 BDADMP FC(F)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001561047440 991701048 /nfs/dbraw/zinc/70/10/48/991701048.db2.gz OYJKLBSQRUOVEV-NSHDSACASA-N 2 1 248.317 1.485 20 0 BDADMP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2COC)CC1 ZINC001258771540 991738177 /nfs/dbraw/zinc/73/81/77/991738177.db2.gz IGJCVRDLZVVVBK-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP CCC[NH+]1CCC([N@H+]2CCC[C@H]2COC)CC1 ZINC001258771540 991738182 /nfs/dbraw/zinc/73/81/82/991738182.db2.gz IGJCVRDLZVVVBK-AWEZNQCLSA-N 2 1 240.391 1.972 20 0 BDADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258807864 991812443 /nfs/dbraw/zinc/81/24/43/991812443.db2.gz LNFZSBLKRQWGDC-GRYCIOLGSA-N 2 1 242.363 1.435 20 0 BDADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1CO ZINC001258910758 991899750 /nfs/dbraw/zinc/89/97/50/991899750.db2.gz UPKJGSPADMMTFQ-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP CCC[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001567240887 991978528 /nfs/dbraw/zinc/97/85/28/991978528.db2.gz RFKLOWUOAHKHOA-LBPRGKRZSA-N 2 1 243.395 1.221 20 0 BDADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001261515286 992364939 /nfs/dbraw/zinc/36/49/39/992364939.db2.gz BORFXDWHWWVHNN-MJBXVCDLSA-N 2 1 240.391 1.469 20 0 BDADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)C(C)C ZINC001570746563 992519894 /nfs/dbraw/zinc/51/98/94/992519894.db2.gz XQBUNMPSRYRRQS-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)C(C)C ZINC001570746563 992519901 /nfs/dbraw/zinc/51/99/01/992519901.db2.gz XQBUNMPSRYRRQS-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)C(C)C ZINC001570746563 992519910 /nfs/dbraw/zinc/51/99/10/992519910.db2.gz XQBUNMPSRYRRQS-LBPRGKRZSA-N 2 1 243.395 1.173 20 0 BDADMP C[C@@H]1CC[C@H](NCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001573640351 992663010 /nfs/dbraw/zinc/66/30/10/992663010.db2.gz HPWGUUNXUOPXPS-HIFRSBDPSA-N 2 1 247.386 1.588 20 0 BDADMP Oc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001574439605 992859624 /nfs/dbraw/zinc/85/96/24/992859624.db2.gz BICLNDRSLLERDJ-UHFFFAOYSA-N 2 1 232.327 1.707 20 0 BDADMP C1C[C@@H]2C[C@H](N[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC[N@H+]2C1 ZINC001574794682 992910231 /nfs/dbraw/zinc/91/02/31/992910231.db2.gz HRZQXTNTZMTROF-POQQGIQPSA-N 2 1 235.375 1.096 20 0 BDADMP C1C[C@H]2[NH2+]CC[C@@]2([NH2+][C@@H]2CCCOC2)C1 ZINC001574816283 992918554 /nfs/dbraw/zinc/91/85/54/992918554.db2.gz BUYMWPMCVLUVGI-UTUOFQBUSA-N 2 1 210.321 1.040 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C1CSC1 ZINC001575130472 992993010 /nfs/dbraw/zinc/99/30/10/992993010.db2.gz NDWUOCRPHRRJOP-VIFPVBQESA-N 2 1 216.394 1.845 20 0 BDADMP CC(C)(C[NH3+])[NH2+]C1CCN(c2ccccn2)CC1 ZINC001575318652 993009447 /nfs/dbraw/zinc/00/94/47/993009447.db2.gz XQQWZFZTUHFDCM-UHFFFAOYSA-N 2 1 248.374 1.377 20 0 BDADMP CC(C)(C[NH2+]C[C@H]1CC[NH2+]1)c1ccccc1 ZINC001575334517 993015387 /nfs/dbraw/zinc/01/53/87/993015387.db2.gz MAODBWJHWAYHSH-CYBMUJFWSA-N 2 1 218.344 1.916 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@H](C[NH3+])C1CC1 ZINC001575566271 993072791 /nfs/dbraw/zinc/07/27/91/993072791.db2.gz SLUZDJJWCRCUFL-NWDGAFQWSA-N 2 1 214.353 1.110 20 0 BDADMP CC(C)[C@]1(CO)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001575495772 993056424 /nfs/dbraw/zinc/05/64/24/993056424.db2.gz CQGGVWLEGJMKMH-ZIAGYGMSSA-N 2 1 240.391 1.326 20 0 BDADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH2+][C@@H]2C[C@@H]21 ZINC001575699300 993098810 /nfs/dbraw/zinc/09/88/10/993098810.db2.gz DJRVDCKPRPRKQR-MCIONIFRSA-N 2 1 237.391 1.295 20 0 BDADMP COC(C)(C)CC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000378675955 993197847 /nfs/dbraw/zinc/19/78/47/993197847.db2.gz PCFGRGFAEHVXGW-NSHDSACASA-N 2 1 214.353 1.615 20 0 BDADMP C[C@@](O)(C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(F)F ZINC001576257629 993236991 /nfs/dbraw/zinc/23/69/91/993236991.db2.gz DTCUIFVHDSIEHA-WCQGTBRESA-N 2 1 248.317 1.063 20 0 BDADMP C[C@@H](O)[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001576269059 993242858 /nfs/dbraw/zinc/24/28/58/993242858.db2.gz LCHHLGFCIIPNAK-YVECIDJPSA-N 2 1 226.364 1.207 20 0 BDADMP C[C@@H](O)C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001576273411 993252884 /nfs/dbraw/zinc/25/28/84/993252884.db2.gz VCQZCABLUQSLFG-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP CC1(C)C[C@](C)([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C(=O)O1 ZINC001576388996 993290594 /nfs/dbraw/zinc/29/05/94/993290594.db2.gz DGPQZQBELMFVCK-CWSCBRNRSA-N 2 1 240.347 1.188 20 0 BDADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)O1 ZINC001576421243 993298496 /nfs/dbraw/zinc/29/84/96/993298496.db2.gz KLAXHTPDNPHZMD-MNOVXSKESA-N 2 1 226.364 1.674 20 0 BDADMP CC1(C)CC[C@H](C[NH2+]CC[C@H]2CCOC2)[NH2+]C1 ZINC001576421956 993300891 /nfs/dbraw/zinc/30/08/91/993300891.db2.gz SNLLOHOYILQDMN-QWHCGFSZSA-N 2 1 240.391 1.781 20 0 BDADMP CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000380684770 993341054 /nfs/dbraw/zinc/34/10/54/993341054.db2.gz HFWVMXWZQLDURQ-NEPJUHHUSA-N 2 1 228.380 1.454 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)Nc1cc(N)[nH+]cn1 ZINC000380773979 993344481 /nfs/dbraw/zinc/34/44/81/993344481.db2.gz ZODYZQCZUDQHIL-SECBINFHSA-N 2 1 223.324 1.199 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)Nc1cc(N)[nH+]cn1 ZINC000380773979 993344487 /nfs/dbraw/zinc/34/44/87/993344487.db2.gz ZODYZQCZUDQHIL-SECBINFHSA-N 2 1 223.324 1.199 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H](C[NH3+])C2CC2)CCO1 ZINC001576597627 993361067 /nfs/dbraw/zinc/36/10/67/993361067.db2.gz HEDYDAZMTRKWAK-CKYFFXLPSA-N 2 1 212.337 1.128 20 0 BDADMP C[C@H]1CCC(=O)C[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576636513 993378563 /nfs/dbraw/zinc/37/85/63/993378563.db2.gz KUTHUINPVUVYJZ-GARJFASQSA-N 2 1 210.321 1.167 20 0 BDADMP C[C@H]1CCC(=O)C[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576636513 993378568 /nfs/dbraw/zinc/37/85/68/993378568.db2.gz KUTHUINPVUVYJZ-GARJFASQSA-N 2 1 210.321 1.167 20 0 BDADMP C[C@H]1CCC(=O)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001576635540 993380002 /nfs/dbraw/zinc/38/00/02/993380002.db2.gz BCUVJFYFYOADDI-QWRGUYRKSA-N 2 1 210.321 1.039 20 0 BDADMP C[C@H]1CCC(=O)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC001576635540 993380009 /nfs/dbraw/zinc/38/00/09/993380009.db2.gz BCUVJFYFYOADDI-QWRGUYRKSA-N 2 1 210.321 1.039 20 0 BDADMP CN(C)CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000381492592 993400284 /nfs/dbraw/zinc/40/02/84/993400284.db2.gz YTFONUCBFBCRDI-UHFFFAOYSA-N 2 1 227.396 1.401 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC001576729150 993405882 /nfs/dbraw/zinc/40/58/82/993405882.db2.gz DUTDNXJLDQDUFZ-AGIUHOORSA-N 2 1 226.364 1.079 20 0 BDADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(CO)CCC2)CC1 ZINC000381649285 993412785 /nfs/dbraw/zinc/41/27/85/993412785.db2.gz CREHQJDTPDERPB-GFCCVEGCSA-N 2 1 226.364 1.223 20 0 BDADMP C[C@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@]1(C)CO ZINC001576807430 993429359 /nfs/dbraw/zinc/42/93/59/993429359.db2.gz PWPAVUUGMNMRNC-WUHRBBMRSA-N 2 1 226.364 1.064 20 0 BDADMP CC[C@@](C)(CCO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001576949112 993465061 /nfs/dbraw/zinc/46/50/61/993465061.db2.gz SFBDTWPTOICQGM-BDAKNGLRSA-N 2 1 242.285 1.407 20 0 BDADMP CC[C@H](C)[C@H](C[N@@H+](C)CCC[NH2+]C)OC ZINC001576960481 993467647 /nfs/dbraw/zinc/46/76/47/993467647.db2.gz DVXJZADGRIWVGR-RYUDHWBXSA-N 2 1 216.369 1.589 20 0 BDADMP CC[C@@H](C)[C@H](C[N@H+](C)CC(C)(C)[NH3+])OC ZINC001576960493 993468541 /nfs/dbraw/zinc/46/85/41/993468541.db2.gz FAQFWBXPFNTDHY-MNOVXSKESA-N 2 1 216.369 1.717 20 0 BDADMP CC[C@@H](C)[C@H](C[N@@H+](C)CC(C)(C)[NH3+])OC ZINC001576960493 993468544 /nfs/dbraw/zinc/46/85/44/993468544.db2.gz FAQFWBXPFNTDHY-MNOVXSKESA-N 2 1 216.369 1.717 20 0 BDADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)OC ZINC001576960946 993470829 /nfs/dbraw/zinc/47/08/29/993470829.db2.gz IUZQMTYZZHZTEW-YNEHKIRRSA-N 2 1 228.380 1.718 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC001576967716 993472263 /nfs/dbraw/zinc/47/22/63/993472263.db2.gz WHLAJIBDDNPSRV-NNYUYHANSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC001576967716 993472268 /nfs/dbraw/zinc/47/22/68/993472268.db2.gz WHLAJIBDDNPSRV-NNYUYHANSA-N 2 1 242.363 1.243 20 0 BDADMP CC[C@H](C)C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(=O)OC ZINC001576984250 993481265 /nfs/dbraw/zinc/48/12/65/993481265.db2.gz IPRWAKBJRXESNG-NNYUYHANSA-N 2 1 242.363 1.291 20 0 BDADMP CC[C@H](CO)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001577088426 993499831 /nfs/dbraw/zinc/49/98/31/993499831.db2.gz CHJLKTBRCRWQMS-MGPQQGTHSA-N 2 1 240.391 1.469 20 0 BDADMP COC[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000383832741 993522489 /nfs/dbraw/zinc/52/24/89/993522489.db2.gz RNWQNNACMZUOGL-ZDUSSCGKSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H]1C[N@@H+](CC)CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577280094 993577638 /nfs/dbraw/zinc/57/76/38/993577638.db2.gz XLAZKSMKCORCGZ-HZSPNIEDSA-N 2 1 239.407 1.258 20 0 BDADMP CCC[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1)OC ZINC001577358208 993615737 /nfs/dbraw/zinc/61/57/37/993615737.db2.gz UCWKXNLGJVWQGL-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CCC[C@@H](CCO)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001577358449 993615909 /nfs/dbraw/zinc/61/59/09/993615909.db2.gz ZQINEBHHCYAKKT-BDAKNGLRSA-N 2 1 242.285 1.407 20 0 BDADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001577445146 993664728 /nfs/dbraw/zinc/66/47/28/993664728.db2.gz JQPSJWYJVKUXSS-MGPQQGTHSA-N 3 1 241.423 1.824 20 0 BDADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC001577445146 993664734 /nfs/dbraw/zinc/66/47/34/993664734.db2.gz JQPSJWYJVKUXSS-MGPQQGTHSA-N 3 1 241.423 1.824 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NCC(C)(C)[NH3+] ZINC001577510442 993668717 /nfs/dbraw/zinc/66/87/17/993668717.db2.gz OFKBXQUTEVZFCZ-LLVKDONJSA-N 2 1 215.385 1.434 20 0 BDADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC001577510324 993677040 /nfs/dbraw/zinc/67/70/40/993677040.db2.gz KFTDRRVJXOJXFQ-NWDGAFQWSA-N 2 1 243.395 1.079 20 0 BDADMP CCC[N@H+]1CC[C@@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC001577533257 993680418 /nfs/dbraw/zinc/68/04/18/993680418.db2.gz BQUGCWJXLSYCJP-ZIAGYGMSSA-N 2 1 239.407 1.450 20 0 BDADMP Cc1cc(C)n(CC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000386849554 993694763 /nfs/dbraw/zinc/69/47/63/993694763.db2.gz ZBFSAUAQAJJSNE-UHFFFAOYSA-N 2 1 236.363 1.184 20 0 BDADMP CCCn1cc(C[NH2+]C2CC[NH2+]CC2)c(C)n1 ZINC001577622030 993697477 /nfs/dbraw/zinc/69/74/77/993697477.db2.gz FSPDVAVRMRFYEK-UHFFFAOYSA-N 2 1 236.363 1.443 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC001577622350 993697637 /nfs/dbraw/zinc/69/76/37/993697637.db2.gz LUXBYSQOZKEVBO-LBPRGKRZSA-N 2 1 236.363 1.382 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC001577622350 993697639 /nfs/dbraw/zinc/69/76/39/993697639.db2.gz LUXBYSQOZKEVBO-LBPRGKRZSA-N 2 1 236.363 1.382 20 0 BDADMP CCOC(=O)C[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000387308269 993705939 /nfs/dbraw/zinc/70/59/39/993705939.db2.gz ZUIIMWVXIBRPLI-NSHDSACASA-N 2 1 242.363 1.402 20 0 BDADMP CCSCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000389292118 993740951 /nfs/dbraw/zinc/74/09/51/993740951.db2.gz CUDLMRRCMCHCDB-NSHDSACASA-N 2 1 216.394 1.813 20 0 BDADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](C)CC2)C1 ZINC000389315888 993742918 /nfs/dbraw/zinc/74/29/18/993742918.db2.gz GPGNUTHYGYRUCU-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](C)CC2)C1 ZINC000389315888 993742928 /nfs/dbraw/zinc/74/29/28/993742928.db2.gz GPGNUTHYGYRUCU-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000389315888 993742935 /nfs/dbraw/zinc/74/29/35/993742935.db2.gz GPGNUTHYGYRUCU-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC000389315888 993742946 /nfs/dbraw/zinc/74/29/46/993742946.db2.gz GPGNUTHYGYRUCU-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000389315888 993742957 /nfs/dbraw/zinc/74/29/57/993742957.db2.gz GPGNUTHYGYRUCU-KGLIPLIRSA-N 2 1 239.407 1.543 20 0 BDADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC2)CC1 ZINC000390005694 993772747 /nfs/dbraw/zinc/77/27/47/993772747.db2.gz WLHSLBGUEDCEQV-RWMBFGLXSA-N 2 1 208.349 1.859 20 0 BDADMP C[N@H+]1CCC[C@@H](N2CCCC[C@H](C[NH3+])C2)C1 ZINC000390620859 993799326 /nfs/dbraw/zinc/79/93/26/993799326.db2.gz FPHNWTTUARZAMJ-CHWSQXEVSA-N 2 1 225.380 1.141 20 0 BDADMP CN1CCC[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC000390620859 993799334 /nfs/dbraw/zinc/79/93/34/993799334.db2.gz FPHNWTTUARZAMJ-CHWSQXEVSA-N 2 1 225.380 1.141 20 0 BDADMP CN1CCC[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC000390620859 993799342 /nfs/dbraw/zinc/79/93/42/993799342.db2.gz FPHNWTTUARZAMJ-CHWSQXEVSA-N 2 1 225.380 1.141 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](F)C2)CC[NH2+]1 ZINC000701898403 993937403 /nfs/dbraw/zinc/93/74/03/993937403.db2.gz ZTXFEWLAVMBTLS-MXWKQRLJSA-N 2 1 200.301 1.561 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](F)C2)CC[NH2+]1 ZINC000701898403 993937412 /nfs/dbraw/zinc/93/74/12/993937412.db2.gz ZTXFEWLAVMBTLS-MXWKQRLJSA-N 2 1 200.301 1.561 20 0 BDADMP CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265956406 993992463 /nfs/dbraw/zinc/99/24/63/993992463.db2.gz LVAVMWLLTZFFRO-LBPRGKRZSA-N 2 1 243.395 1.031 20 0 BDADMP Cc1ncc(CN2CC[NH+](CC(C)C)CC2)[nH]1 ZINC000724778367 994075478 /nfs/dbraw/zinc/07/54/78/994075478.db2.gz VOJLSAOLYTVUQX-UHFFFAOYSA-N 2 1 236.363 1.492 20 0 BDADMP c1ccc(CCC[NH2+][C@H]2CCC[NH2+]C2)nc1 ZINC000822118687 994416616 /nfs/dbraw/zinc/41/66/16/994416616.db2.gz AUCWCIXLPTYVMT-ZDUSSCGKSA-N 2 1 219.332 1.356 20 0 BDADMP CC[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001492424656 995052798 /nfs/dbraw/zinc/05/27/98/995052798.db2.gz SAEOYWJKAVALOE-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP CC[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001492424656 995052802 /nfs/dbraw/zinc/05/28/02/995052802.db2.gz SAEOYWJKAVALOE-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP CC[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001492424656 995052812 /nfs/dbraw/zinc/05/28/12/995052812.db2.gz SAEOYWJKAVALOE-UHFFFAOYSA-N 2 1 243.395 1.032 20 0 BDADMP C[C@@H](O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC001307609225 995416580 /nfs/dbraw/zinc/41/65/80/995416580.db2.gz MRFFDGKJKIDSMV-NWDGAFQWSA-N 2 1 226.364 1.316 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@H]1CCOC1 ZINC000400645129 398137030 /nfs/dbraw/zinc/13/70/30/398137030.db2.gz UIBKSPQRAJANGF-JHJVBQTASA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000422906628 398157228 /nfs/dbraw/zinc/15/72/28/398157228.db2.gz VPTMOMUSGRKWJZ-MRVPVSSYSA-N 2 1 226.270 1.662 20 0 BDADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000336233892 178032799 /nfs/dbraw/zinc/03/27/99/178032799.db2.gz YGWXYWNGTLCZFV-BXUZGUMPSA-N 2 1 233.359 1.820 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccccc1 ZINC000122371604 398178392 /nfs/dbraw/zinc/17/83/92/398178392.db2.gz RVXGLJDHMBPUSE-TZMCWYRMSA-N 2 1 218.344 1.898 20 0 BDADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423020282 398162517 /nfs/dbraw/zinc/16/25/17/398162517.db2.gz ZSGXJDIITXAIEN-COPLHBTASA-N 2 1 249.358 1.960 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3cn[nH]c3)C[C@H]21 ZINC000379746318 398164093 /nfs/dbraw/zinc/16/40/93/398164093.db2.gz BWXGSPNMMFCIMZ-YNEHKIRRSA-N 2 1 234.347 1.011 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)CO)CC[N@H+]1C ZINC000385933741 398192495 /nfs/dbraw/zinc/19/24/95/398192495.db2.gz VEKVLMDVKBALBL-NWDGAFQWSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@H+](CCC[NH+]1CCCC1)CCc1cnccn1 ZINC000271303869 538924060 /nfs/dbraw/zinc/92/40/60/538924060.db2.gz FZEPHHPTFIHNFV-UHFFFAOYSA-N 2 1 248.374 1.437 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1cnccn1 ZINC000271303869 538924061 /nfs/dbraw/zinc/92/40/61/538924061.db2.gz FZEPHHPTFIHNFV-UHFFFAOYSA-N 2 1 248.374 1.437 20 0 BDADMP CC(C)[N@@H+](Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000649411920 398214400 /nfs/dbraw/zinc/21/44/00/398214400.db2.gz UVGNNFBTDPVFNP-ZDUSSCGKSA-N 2 1 233.359 1.902 20 0 BDADMP CC(C)[N@H+](Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000649411920 398214401 /nfs/dbraw/zinc/21/44/01/398214401.db2.gz UVGNNFBTDPVFNP-ZDUSSCGKSA-N 2 1 233.359 1.902 20 0 BDADMP Cc1cc(NC2CCC([NH3+])CC2)nc(C)[nH+]1 ZINC000051694153 178154419 /nfs/dbraw/zinc/15/44/19/178154419.db2.gz KHGBSWGRPGRYNB-UHFFFAOYSA-N 2 1 220.320 1.775 20 0 BDADMP Cc1cc(NC[C@@H](C)[NH+](C)C)nc(C)[nH+]1 ZINC000037988019 178165335 /nfs/dbraw/zinc/16/53/35/178165335.db2.gz UQQODKGCGWRINF-SECBINFHSA-N 2 1 208.309 1.455 20 0 BDADMP C[C@H]([NH3+])CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000649413850 398211961 /nfs/dbraw/zinc/21/19/61/398211961.db2.gz MWSCNIXEZNRQCS-DZGCQCFKSA-N 2 1 247.386 1.540 20 0 BDADMP Cc1cc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)on1 ZINC000647880348 398223406 /nfs/dbraw/zinc/22/34/06/398223406.db2.gz KLLUXWKVHGHEBT-VXGBXAGGSA-N 2 1 235.331 1.729 20 0 BDADMP Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)on1 ZINC000647880348 398223407 /nfs/dbraw/zinc/22/34/07/398223407.db2.gz KLLUXWKVHGHEBT-VXGBXAGGSA-N 2 1 235.331 1.729 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000163548884 538929187 /nfs/dbraw/zinc/92/91/87/538929187.db2.gz PTSRMFSCLXFFMS-JTQLQIEISA-N 2 1 202.342 1.186 20 0 BDADMP CCC(CC)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000336687636 168352331 /nfs/dbraw/zinc/35/23/31/168352331.db2.gz FPKAYKOOYAIRKJ-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000229539049 538939618 /nfs/dbraw/zinc/93/96/18/538939618.db2.gz KBXISIOZTSHBLY-DGCLKSJQSA-N 2 1 225.380 1.153 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000229539049 538939619 /nfs/dbraw/zinc/93/96/19/538939619.db2.gz KBXISIOZTSHBLY-DGCLKSJQSA-N 2 1 225.380 1.153 20 0 BDADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C[C@H](C)O ZINC000576475607 365605809 /nfs/dbraw/zinc/60/58/09/365605809.db2.gz IMBUYEJFRSJHDF-LBPRGKRZSA-N 2 1 239.363 1.444 20 0 BDADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C[C@H](C)O ZINC000576475607 365605817 /nfs/dbraw/zinc/60/58/17/365605817.db2.gz IMBUYEJFRSJHDF-LBPRGKRZSA-N 2 1 239.363 1.444 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ncc[nH]1 ZINC000286322695 538943764 /nfs/dbraw/zinc/94/37/64/538943764.db2.gz YBTDGPKKQCDRTI-JTQLQIEISA-N 2 1 220.320 1.322 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ncc[nH]1 ZINC000286322695 538943766 /nfs/dbraw/zinc/94/37/66/538943766.db2.gz YBTDGPKKQCDRTI-JTQLQIEISA-N 2 1 220.320 1.322 20 0 BDADMP CC[N@H+]1CC[C@@H](CNCc2snnc2C)C1 ZINC000381628089 398267863 /nfs/dbraw/zinc/26/78/63/398267863.db2.gz LYCSIGHSTVJFSB-JTQLQIEISA-N 2 1 240.376 1.278 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378759077 346826045 /nfs/dbraw/zinc/82/60/45/346826045.db2.gz ZWSMWSBTKGUXOO-UHTWSYAYSA-N 2 1 219.332 1.741 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000647186587 398269805 /nfs/dbraw/zinc/26/98/05/398269805.db2.gz PWWZRYABJKVMMJ-DGCLKSJQSA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647186589 398269872 /nfs/dbraw/zinc/26/98/72/398269872.db2.gz PWWZRYABJKVMMJ-YPMHNXCESA-N 2 1 237.347 1.739 20 0 BDADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCOC1 ZINC000178704506 538954143 /nfs/dbraw/zinc/95/41/43/538954143.db2.gz IROORZDLJYHPTL-WCQYABFASA-N 2 1 237.347 1.596 20 0 BDADMP CC[C@@H](COC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000166568403 361852847 /nfs/dbraw/zinc/85/28/47/361852847.db2.gz XZQRQOCCKRYUSJ-LBPRGKRZSA-N 2 1 216.369 1.731 20 0 BDADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000036232624 342793023 /nfs/dbraw/zinc/79/30/23/342793023.db2.gz SENCJQCIGZLSGM-UHFFFAOYSA-N 2 1 226.364 1.487 20 0 BDADMP C1=CC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000379803233 538980387 /nfs/dbraw/zinc/98/03/87/538980387.db2.gz MYYLMWZHTVKKJM-RWMBFGLXSA-N 2 1 206.333 1.494 20 0 BDADMP C1=CC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000379803250 538980468 /nfs/dbraw/zinc/98/04/68/538980468.db2.gz MYYLMWZHTVKKJM-UPJWGTAASA-N 2 1 206.333 1.494 20 0 BDADMP Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000189401000 538982895 /nfs/dbraw/zinc/98/28/95/538982895.db2.gz NWPHOIRJPYRIMV-LBPRGKRZSA-N 2 1 234.347 1.481 20 0 BDADMP CSCC1CCC([NH2+][C@@H](C)C[NH3+])CC1 ZINC000385787473 342853227 /nfs/dbraw/zinc/85/32/27/342853227.db2.gz DIRVQOOCRQUGTC-WHXUTIOJSA-N 2 1 216.394 1.845 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000232667217 342868366 /nfs/dbraw/zinc/86/83/66/342868366.db2.gz LWMGUVIHRPVMFL-CYBMUJFWSA-N 2 1 248.374 1.804 20 0 BDADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000232667217 342868368 /nfs/dbraw/zinc/86/83/68/342868368.db2.gz LWMGUVIHRPVMFL-CYBMUJFWSA-N 2 1 248.374 1.804 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386046901 342905354 /nfs/dbraw/zinc/90/53/54/342905354.db2.gz UOBKQQRAOVDZPV-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccsc1 ZINC000401710529 342913470 /nfs/dbraw/zinc/91/34/70/342913470.db2.gz HUEMFXBNTGKFQD-UHFFFAOYSA-N 2 1 221.329 1.814 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000602718326 349686856 /nfs/dbraw/zinc/68/68/56/349686856.db2.gz VPZIVCVTHGFNGK-WISYIIOYSA-N 2 1 240.347 1.010 20 0 BDADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000602718326 349686859 /nfs/dbraw/zinc/68/68/59/349686859.db2.gz VPZIVCVTHGFNGK-WISYIIOYSA-N 2 1 240.347 1.010 20 0 BDADMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223287415 259334002 /nfs/dbraw/zinc/33/40/02/259334002.db2.gz VAFBFERLLLHSLN-YNEHKIRRSA-N 2 1 230.396 1.713 20 0 BDADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ncc[nH]1 ZINC000453391716 488191274 /nfs/dbraw/zinc/19/12/74/488191274.db2.gz DZSRNBWSOUUJKA-NSHDSACASA-N 2 1 236.363 1.935 20 0 BDADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000053498769 346904878 /nfs/dbraw/zinc/90/48/78/346904878.db2.gz RBPOJZSHPVZONB-SECBINFHSA-N 2 1 224.270 1.870 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000053498769 346904891 /nfs/dbraw/zinc/90/48/91/346904891.db2.gz RBPOJZSHPVZONB-SECBINFHSA-N 2 1 224.270 1.870 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000261534202 536729595 /nfs/dbraw/zinc/72/95/95/536729595.db2.gz ORDVUJSXEXLFQQ-RWMBFGLXSA-N 2 1 226.364 1.343 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2ccccn2)CC1 ZINC000019916413 342963239 /nfs/dbraw/zinc/96/32/39/342963239.db2.gz JBHNYAPCRMTVME-UHFFFAOYSA-N 2 1 219.332 1.308 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H](C)COC ZINC000562744809 323029767 /nfs/dbraw/zinc/02/97/67/323029767.db2.gz XJOIVBXDSWNWAD-WDEREUQCSA-N 2 1 202.342 1.376 20 0 BDADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000634679501 343143253 /nfs/dbraw/zinc/14/32/53/343143253.db2.gz WXBDQRZPTDBPEM-CHWSQXEVSA-N 2 1 240.391 1.874 20 0 BDADMP CC(=O)Nc1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000133724620 343186174 /nfs/dbraw/zinc/18/61/74/343186174.db2.gz MGDSCXPTTQZMKU-UHFFFAOYSA-N 2 1 235.331 1.426 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1ccc(-n2ccnc2)cc1 ZINC000123313177 343161983 /nfs/dbraw/zinc/16/19/83/343161983.db2.gz FEWSVANWSSGWEL-UHFFFAOYSA-N 3 1 244.342 1.653 20 0 BDADMP COc1cc(C)[nH+]c(CN(C)CCC[NH3+])c1 ZINC000125949379 343168428 /nfs/dbraw/zinc/16/84/28/343168428.db2.gz JLFIRHTZZQVBHB-UHFFFAOYSA-N 2 1 223.320 1.179 20 0 BDADMP Cc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000128285905 343174201 /nfs/dbraw/zinc/17/42/01/343174201.db2.gz JEJKDUKKJBNMBE-CABZTGNLSA-N 2 1 222.336 1.040 20 0 BDADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000128285905 343174203 /nfs/dbraw/zinc/17/42/03/343174203.db2.gz JEJKDUKKJBNMBE-CABZTGNLSA-N 2 1 222.336 1.040 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)O1 ZINC000634688279 343246568 /nfs/dbraw/zinc/24/65/68/343246568.db2.gz NSJZFQUIVPHELU-FQUUOJAGSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CNCCO1 ZINC000043802871 488210279 /nfs/dbraw/zinc/21/02/79/488210279.db2.gz NMTDCMCLGPJEIU-MNOVXSKESA-N 2 1 240.372 1.729 20 0 BDADMP C[NH2+]CCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000083879480 136286558 /nfs/dbraw/zinc/28/65/58/136286558.db2.gz MWHSGJPEWTYBNP-UHFFFAOYSA-N 2 1 224.270 1.870 20 0 BDADMP Cc1nccn1CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000348750729 136297051 /nfs/dbraw/zinc/29/70/51/136297051.db2.gz PNKWLWTYJHZBCE-IHRRRGAJSA-N 2 1 248.374 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000348750729 136297052 /nfs/dbraw/zinc/29/70/52/136297052.db2.gz PNKWLWTYJHZBCE-IHRRRGAJSA-N 3 1 248.374 1.251 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000348750729 136297053 /nfs/dbraw/zinc/29/70/53/136297053.db2.gz PNKWLWTYJHZBCE-IHRRRGAJSA-N 3 1 248.374 1.251 20 0 BDADMP Cc1[nH+]ccn1CCCN1CC[NH2+][C@H](C)[C@H]1C ZINC000348755681 136297726 /nfs/dbraw/zinc/29/77/26/136297726.db2.gz ILQJQDDWBBUYAJ-VXGBXAGGSA-N 2 1 236.363 1.264 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335634673 136300653 /nfs/dbraw/zinc/30/06/53/136300653.db2.gz GWMXJXYFZKIIQG-XHDPSFHLSA-N 2 1 230.355 1.741 20 0 BDADMP Cc1c[nH]nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635196 136300881 /nfs/dbraw/zinc/30/08/81/136300881.db2.gz QXEHSDVTOTWGAU-QWHCGFSZSA-N 2 1 248.374 1.540 20 0 BDADMP Cc1cn[nH]c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635196 136300883 /nfs/dbraw/zinc/30/08/83/136300883.db2.gz QXEHSDVTOTWGAU-QWHCGFSZSA-N 2 1 248.374 1.540 20 0 BDADMP C1CSC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000335643553 136303915 /nfs/dbraw/zinc/30/39/15/136303915.db2.gz PIFBTMCAPZSKOQ-QWRGUYRKSA-N 2 1 214.378 1.614 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCCOC1 ZINC000349361561 136343054 /nfs/dbraw/zinc/34/30/54/136343054.db2.gz BOCZNQYMOPFISY-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP Cc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000339411217 178528115 /nfs/dbraw/zinc/52/81/15/178528115.db2.gz VYFLHTYLEAVAAC-IUODEOHRSA-N 2 1 247.386 1.992 20 0 BDADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCCn1ccnc1 ZINC000349423416 136345767 /nfs/dbraw/zinc/34/57/67/136345767.db2.gz XGCBTJUGGUPFEY-NWDGAFQWSA-N 2 1 207.321 1.861 20 0 BDADMP Cn1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000335729631 136348302 /nfs/dbraw/zinc/34/83/02/136348302.db2.gz VDNOMDIOYJWNGD-CQSZACIVSA-N 2 1 248.374 1.338 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH3+])C12CCCC2 ZINC000082945699 343472864 /nfs/dbraw/zinc/47/28/64/343472864.db2.gz QKUBZEFABWBVEL-MNOVXSKESA-N 2 1 212.337 1.273 20 0 BDADMP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000310503788 343520778 /nfs/dbraw/zinc/52/07/78/343520778.db2.gz NFKNWHREEGRAGH-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)CC1CC1 ZINC000310503788 343520779 /nfs/dbraw/zinc/52/07/79/343520779.db2.gz NFKNWHREEGRAGH-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC1CC1 ZINC000310503788 343520781 /nfs/dbraw/zinc/52/07/81/343520781.db2.gz NFKNWHREEGRAGH-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC1CC1 ZINC000310503788 343520782 /nfs/dbraw/zinc/52/07/82/343520782.db2.gz NFKNWHREEGRAGH-CQSZACIVSA-N 2 1 240.391 1.562 20 0 BDADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000192560424 365755150 /nfs/dbraw/zinc/75/51/50/365755150.db2.gz ZPGBZRCKPWKFRT-AGIUHOORSA-N 2 1 226.364 1.343 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000070987609 343583703 /nfs/dbraw/zinc/58/37/03/343583703.db2.gz RPWCLJOBCRKWHJ-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000070987609 343583704 /nfs/dbraw/zinc/58/37/04/343583704.db2.gz RPWCLJOBCRKWHJ-AWEZNQCLSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccncc1 ZINC000049330105 343596074 /nfs/dbraw/zinc/59/60/74/343596074.db2.gz CGAKKLFHOBRYOW-LLVKDONJSA-N 2 1 230.315 1.937 20 0 BDADMP C1=C(C[NH2+]C2CC[NH+](C3CC3)CC2)COCC1 ZINC000126316867 343695479 /nfs/dbraw/zinc/69/54/79/343695479.db2.gz KXCVCXPZPAMTFY-UHFFFAOYSA-N 2 1 236.359 1.550 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000309055978 346956828 /nfs/dbraw/zinc/95/68/28/346956828.db2.gz UKDGXTOYUHEIKS-UPJWGTAASA-N 2 1 210.365 1.964 20 0 BDADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000576187633 343722432 /nfs/dbraw/zinc/72/24/32/343722432.db2.gz AARRYUZOEBRRAL-ZIAGYGMSSA-N 2 1 238.375 1.628 20 0 BDADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000576506732 343751670 /nfs/dbraw/zinc/75/16/70/343751670.db2.gz DNNKIRQEKLBKEF-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000576506732 343751672 /nfs/dbraw/zinc/75/16/72/343751672.db2.gz DNNKIRQEKLBKEF-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000576506732 343751675 /nfs/dbraw/zinc/75/16/75/343751675.db2.gz DNNKIRQEKLBKEF-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CC1(C)C)C1CC1 ZINC000381033873 343778996 /nfs/dbraw/zinc/77/89/96/343778996.db2.gz DVFHXIMUXRJKDQ-PWSUYJOCSA-N 2 1 226.364 1.077 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CC1(C)C)C1CC1 ZINC000381033873 343778998 /nfs/dbraw/zinc/77/89/98/343778998.db2.gz DVFHXIMUXRJKDQ-PWSUYJOCSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H]1C[C@@H](CN[C@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000634733432 344113299 /nfs/dbraw/zinc/11/32/99/344113299.db2.gz FRKNAIIMWKJQFY-FQUUOJAGSA-N 2 1 237.391 1.106 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC[NH2+]1 ZINC000622004225 344181929 /nfs/dbraw/zinc/18/19/29/344181929.db2.gz MCEAGRRZZKZLQH-MQYQWHSLSA-N 3 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(N)C2)CC[NH2+]1 ZINC000622004225 344181932 /nfs/dbraw/zinc/18/19/32/344181932.db2.gz MCEAGRRZZKZLQH-MQYQWHSLSA-N 2 1 237.391 1.188 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(N)C2)CC[NH2+]1 ZINC000622004225 344181935 /nfs/dbraw/zinc/18/19/35/344181935.db2.gz MCEAGRRZZKZLQH-MQYQWHSLSA-N 2 1 237.391 1.188 20 0 BDADMP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000600700824 344359998 /nfs/dbraw/zinc/35/99/98/344359998.db2.gz FICUQDFAXZWNPZ-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000600700824 344359999 /nfs/dbraw/zinc/35/99/99/344359999.db2.gz FICUQDFAXZWNPZ-VXGBXAGGSA-N 2 1 242.363 1.531 20 0 BDADMP COC(=O)CCCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000600712244 344361654 /nfs/dbraw/zinc/36/16/54/344361654.db2.gz VGWQDZVQJLVPTH-LBPRGKRZSA-N 2 1 242.363 1.533 20 0 BDADMP COC(=O)CCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000600712512 344361842 /nfs/dbraw/zinc/36/18/42/344361842.db2.gz XSYCTHCLANPDNO-QWRGUYRKSA-N 2 1 228.336 1.141 20 0 BDADMP C[C@@H]1C[C@@H](N)C[N@H+]1CCCOCC(F)(F)F ZINC000385204550 344376612 /nfs/dbraw/zinc/37/66/12/344376612.db2.gz SYFKOEDAUPFZOF-RKDXNWHRSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCOCC(F)(F)F ZINC000385204550 344376614 /nfs/dbraw/zinc/37/66/14/344376614.db2.gz SYFKOEDAUPFZOF-RKDXNWHRSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCOCC(F)(F)F ZINC000385204550 344376616 /nfs/dbraw/zinc/37/66/16/344376616.db2.gz SYFKOEDAUPFZOF-RKDXNWHRSA-N 2 1 240.269 1.377 20 0 BDADMP Cc1nc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c(C)[nH+]1 ZINC000634810095 344394969 /nfs/dbraw/zinc/39/49/69/344394969.db2.gz MHKUHBIQSQQPAL-URLYPYJESA-N 2 1 218.304 1.032 20 0 BDADMP C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000042466479 344455932 /nfs/dbraw/zinc/45/59/32/344455932.db2.gz VKJXJUPPCHARFR-LBPRGKRZSA-N 2 1 212.337 1.097 20 0 BDADMP COc1c(C)c[nH+]c(CN(C)CC[NH3+])c1C ZINC000037267956 344496860 /nfs/dbraw/zinc/49/68/60/344496860.db2.gz LNINTPBGEJCLFB-UHFFFAOYSA-N 2 1 223.320 1.098 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000382006635 347053951 /nfs/dbraw/zinc/05/39/51/347053951.db2.gz BHJHPNKJPYHSFC-KATARQTJSA-N 2 1 218.291 1.712 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000382006635 347053956 /nfs/dbraw/zinc/05/39/56/347053956.db2.gz BHJHPNKJPYHSFC-KATARQTJSA-N 2 1 218.291 1.712 20 0 BDADMP CCN1CCC([N@@H+](C)CC[C@H](C)O)CC1 ZINC000044172835 344536853 /nfs/dbraw/zinc/53/68/53/344536853.db2.gz YJOPRTABRAQOGV-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CCC([N@H+](C)CC[C@H](C)O)CC1 ZINC000044172835 344536855 /nfs/dbraw/zinc/53/68/55/344536855.db2.gz YJOPRTABRAQOGV-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)CC[C@H](C)O)CC1 ZINC000044172835 344536857 /nfs/dbraw/zinc/53/68/57/344536857.db2.gz YJOPRTABRAQOGV-NSHDSACASA-N 2 1 214.353 1.173 20 0 BDADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000309421815 347058890 /nfs/dbraw/zinc/05/88/90/347058890.db2.gz ZUFBWMVIUIFAQB-STQMWFEESA-N 2 1 221.348 1.987 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000400002286 344747664 /nfs/dbraw/zinc/74/76/64/344747664.db2.gz OMLPVYFWEFNROD-STQMWFEESA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400002286 344747666 /nfs/dbraw/zinc/74/76/66/344747666.db2.gz OMLPVYFWEFNROD-STQMWFEESA-N 2 1 226.364 1.031 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400002286 344747668 /nfs/dbraw/zinc/74/76/68/344747668.db2.gz OMLPVYFWEFNROD-STQMWFEESA-N 2 1 226.364 1.031 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626047736 344699324 /nfs/dbraw/zinc/69/93/24/344699324.db2.gz VJKNMKMDKCWWJF-BJHJDKERSA-N 2 1 237.347 1.055 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626047736 344699325 /nfs/dbraw/zinc/69/93/25/344699325.db2.gz VJKNMKMDKCWWJF-BJHJDKERSA-N 2 1 237.347 1.055 20 0 BDADMP CC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860139 344785973 /nfs/dbraw/zinc/78/59/73/344785973.db2.gz WRPDQJBPIOBNDP-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860139 344785974 /nfs/dbraw/zinc/78/59/74/344785974.db2.gz WRPDQJBPIOBNDP-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000563007271 323079552 /nfs/dbraw/zinc/07/95/52/323079552.db2.gz HQKXIUOXBVPTPQ-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP C[N@H+]1CCC[C@@H]1CCN1CCOC[C@@H]1C1CC1 ZINC000154374239 345031432 /nfs/dbraw/zinc/03/14/32/345031432.db2.gz LVOPHOAITFOBBI-ZIAGYGMSSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000154938447 345058254 /nfs/dbraw/zinc/05/82/54/345058254.db2.gz PLKFJIIBWCYJEB-AGIUHOORSA-N 2 1 242.407 1.977 20 0 BDADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634995079 345183908 /nfs/dbraw/zinc/18/39/08/345183908.db2.gz UNCQMEKSTMJIAW-UONOGXRCSA-N 3 1 239.407 1.293 20 0 BDADMP CC(C)[C@@H](C[NH3+])CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634995079 345183910 /nfs/dbraw/zinc/18/39/10/345183910.db2.gz UNCQMEKSTMJIAW-UONOGXRCSA-N 2 1 239.407 1.293 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000156409790 345159020 /nfs/dbraw/zinc/15/90/20/345159020.db2.gz BBQUGFNZTFFXDB-NSHDSACASA-N 2 1 214.353 1.079 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000634993710 345192058 /nfs/dbraw/zinc/19/20/58/345192058.db2.gz CPDKWXZNZBXKSQ-UPJWGTAASA-N 2 1 225.380 1.044 20 0 BDADMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000634993710 345192061 /nfs/dbraw/zinc/19/20/61/345192061.db2.gz CPDKWXZNZBXKSQ-UPJWGTAASA-N 2 1 225.380 1.044 20 0 BDADMP CC(C)[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000634993661 345192135 /nfs/dbraw/zinc/19/21/35/345192135.db2.gz BDTSASGFHYEJKO-MOKVOYLWSA-N 2 1 237.391 1.010 20 0 BDADMP CC[C@H]1C[C@H](C)C[N@@H+]1CC12CC(C1)CN2 ZINC000634994078 345192517 /nfs/dbraw/zinc/19/25/17/345192517.db2.gz PTGZJMYIBNELDS-QCXCNERSSA-N 2 1 208.349 1.859 20 0 BDADMP CC[C@H]1C[C@H](C)C[N@H+]1CC12CC(C1)CN2 ZINC000634994078 345192522 /nfs/dbraw/zinc/19/25/22/345192522.db2.gz PTGZJMYIBNELDS-QCXCNERSSA-N 2 1 208.349 1.859 20 0 BDADMP CC[N@H+]1C[C@H](C)N(CC23CC(C2)C[NH2+]3)C[C@@H]1C ZINC000634994050 345192738 /nfs/dbraw/zinc/19/27/38/345192738.db2.gz PDZWPIMLCORFDQ-FEPKRQSRSA-N 2 1 237.391 1.153 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@H]1C[NH3+] ZINC000634998600 345198088 /nfs/dbraw/zinc/19/80/88/345198088.db2.gz IFVKXWFXJCPTSG-GMTAPVOTSA-N 2 1 214.378 1.266 20 0 BDADMP CC(C)([NH3+])C[NH+]1CCC(CCF)CC1 ZINC000634998252 345198299 /nfs/dbraw/zinc/19/82/99/345198299.db2.gz CMQSDLCUIADVHO-UHFFFAOYSA-N 2 1 202.317 1.795 20 0 BDADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCCn2nccc21 ZINC000635001801 345202225 /nfs/dbraw/zinc/20/22/25/345202225.db2.gz GHMUKEDXCSZDJM-AGIUHOORSA-N 2 1 248.374 1.838 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005094 345209093 /nfs/dbraw/zinc/20/90/93/345209093.db2.gz MBSJGRGYVAYKSC-FDYHWXHSSA-N 3 1 225.380 1.092 20 0 BDADMP Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005772 345209613 /nfs/dbraw/zinc/20/96/13/345209613.db2.gz KHGFZKBPTMOFJZ-DLOVCJGASA-N 2 1 236.363 1.886 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007127 345211580 /nfs/dbraw/zinc/21/15/80/345211580.db2.gz ADTYDHRGEOJVPH-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007127 345211581 /nfs/dbraw/zinc/21/15/81/345211581.db2.gz ADTYDHRGEOJVPH-AGIUHOORSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cnccn1 ZINC000635010015 345211909 /nfs/dbraw/zinc/21/19/09/345211909.db2.gz IQPIIOMCXIRACH-VXGBXAGGSA-N 2 1 248.374 1.905 20 0 BDADMP C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000635008055 345216295 /nfs/dbraw/zinc/21/62/95/345216295.db2.gz YPUBBINCOJAVOA-CYDGBPFRSA-N 2 1 225.380 1.234 20 0 BDADMP CN(Cc1nc(C(C)(C)N)no1)C1CCC1 ZINC000158588476 345352636 /nfs/dbraw/zinc/35/26/36/345352636.db2.gz SHSZFRQMWIKCNT-UHFFFAOYSA-N 2 1 224.308 1.248 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC1CCOCC1 ZINC000133296755 345369225 /nfs/dbraw/zinc/36/92/25/345369225.db2.gz VVQMBDPFTYDTTQ-ZDUSSCGKSA-N 2 1 228.380 1.718 20 0 BDADMP COCCCN1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000134752637 345420928 /nfs/dbraw/zinc/42/09/28/345420928.db2.gz RNARSNWWBCLOLS-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134752637 345420933 /nfs/dbraw/zinc/42/09/33/345420933.db2.gz RNARSNWWBCLOLS-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000134752637 345420935 /nfs/dbraw/zinc/42/09/35/345420935.db2.gz RNARSNWWBCLOLS-CYBMUJFWSA-N 2 1 240.391 1.972 20 0 BDADMP COc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573318 345539381 /nfs/dbraw/zinc/53/93/81/345539381.db2.gz FEUHXBNVWCGUCL-STQMWFEESA-N 2 1 232.327 1.346 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140056 345635155 /nfs/dbraw/zinc/63/51/55/345635155.db2.gz LUIKAXNLPMSKQV-REWJHTLYSA-N 2 1 238.375 1.316 20 0 BDADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641712009 362622864 /nfs/dbraw/zinc/62/28/64/362622864.db2.gz HLUGQEXQEGIWSG-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641712009 362622867 /nfs/dbraw/zinc/62/28/67/362622867.db2.gz HLUGQEXQEGIWSG-LBPRGKRZSA-N 2 1 248.374 1.485 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccon3)CC[C@@H]21 ZINC000158885401 345759733 /nfs/dbraw/zinc/75/97/33/345759733.db2.gz PLZVOPHMVGYBNY-YPMHNXCESA-N 2 1 235.331 1.591 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)OCC1CC1 ZINC000428029920 345704449 /nfs/dbraw/zinc/70/44/49/345704449.db2.gz GBUCCUOGHLHEAY-OLZOCXBDSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)OCC1CC1 ZINC000428029920 345704454 /nfs/dbraw/zinc/70/44/54/345704454.db2.gz GBUCCUOGHLHEAY-OLZOCXBDSA-N 2 1 224.348 1.097 20 0 BDADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000168156391 345811231 /nfs/dbraw/zinc/81/12/31/345811231.db2.gz BNRNKZZNINUCEE-CHWSQXEVSA-N 2 1 220.316 1.235 20 0 BDADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000168156391 345811232 /nfs/dbraw/zinc/81/12/32/345811232.db2.gz BNRNKZZNINUCEE-CHWSQXEVSA-N 2 1 220.316 1.235 20 0 BDADMP Cc1nccc(NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000054936085 345785424 /nfs/dbraw/zinc/78/54/24/345785424.db2.gz VZNPKOOAYPXYRL-GFCCVEGCSA-N 2 1 234.347 1.927 20 0 BDADMP COC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000141313436 345841737 /nfs/dbraw/zinc/84/17/37/345841737.db2.gz KBJSCEJLQUGMHA-GFCCVEGCSA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000149793795 346157062 /nfs/dbraw/zinc/15/70/62/346157062.db2.gz QHFGHUGEYDOZRJ-AGIUHOORSA-N 2 1 228.380 1.859 20 0 BDADMP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000090320179 537956444 /nfs/dbraw/zinc/95/64/44/537956444.db2.gz JWDMZEPQKBGVOJ-STQMWFEESA-N 2 1 234.318 1.785 20 0 BDADMP Cc1ncc(C[N@@H+](C)CCCn2ccnc2)o1 ZINC000628280299 346290801 /nfs/dbraw/zinc/29/08/01/346290801.db2.gz ZPBOHSSJZFNDCQ-UHFFFAOYSA-N 2 1 234.303 1.702 20 0 BDADMP Cc1ncc(CN(C)CCCn2ccnc2)o1 ZINC000628280299 346290804 /nfs/dbraw/zinc/29/08/04/346290804.db2.gz ZPBOHSSJZFNDCQ-UHFFFAOYSA-N 2 1 234.303 1.702 20 0 BDADMP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000380186987 346370495 /nfs/dbraw/zinc/37/04/95/346370495.db2.gz NNJFPUGTZCDHRL-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000380186987 346370497 /nfs/dbraw/zinc/37/04/97/346370497.db2.gz NNJFPUGTZCDHRL-NSHDSACASA-N 2 1 214.328 1.810 20 0 BDADMP Cn1cncc1CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000641796014 362736691 /nfs/dbraw/zinc/73/66/91/362736691.db2.gz CWOPPDVCLTWNIZ-UHFFFAOYSA-N 2 1 248.374 1.179 20 0 BDADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1cncn1C ZINC000641795941 362736714 /nfs/dbraw/zinc/73/67/14/362736714.db2.gz BQIXDNZDUGGTQV-CYBMUJFWSA-N 2 1 238.379 1.268 20 0 BDADMP CCc1cc(N(C)[C@@H](C[NH3+])C2CC2)nc(C)[nH+]1 ZINC000160251841 346445775 /nfs/dbraw/zinc/44/57/75/346445775.db2.gz HGJBTPZMPWMHNM-LBPRGKRZSA-N 2 1 234.347 1.521 20 0 BDADMP Cc1cccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000336541721 179083012 /nfs/dbraw/zinc/08/30/12/179083012.db2.gz JPWDHTNEYQFDNM-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP c1n[nH]cc1CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798588 362744484 /nfs/dbraw/zinc/74/44/84/362744484.db2.gz JXHRPMVJFAUMLK-KGLIPLIRSA-N 2 1 248.374 1.274 20 0 BDADMP Cc1cccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000228722072 179093505 /nfs/dbraw/zinc/09/35/05/179093505.db2.gz HZTXUEBPPPRRGJ-CQSZACIVSA-N 2 1 236.359 1.397 20 0 BDADMP Cc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000037859927 179094373 /nfs/dbraw/zinc/09/43/73/179094373.db2.gz ZPTDGSQXHWYLSQ-HNNXBMFYSA-N 2 1 248.370 1.541 20 0 BDADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000641805624 362762439 /nfs/dbraw/zinc/76/24/39/362762439.db2.gz FWSRSSLFMQDKSM-BZPMIXESSA-N 2 1 239.407 1.434 20 0 BDADMP CCCCOCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000053034276 346509638 /nfs/dbraw/zinc/50/96/38/346509638.db2.gz HYFCTQWNMWLAGB-GFCCVEGCSA-N 2 1 214.353 1.344 20 0 BDADMP CC[C@@H](C)[N@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000580096579 346521871 /nfs/dbraw/zinc/52/18/71/346521871.db2.gz JYKUXLROOBLJCI-LLVKDONJSA-N 2 1 238.379 1.548 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000580096579 346521873 /nfs/dbraw/zinc/52/18/73/346521873.db2.gz JYKUXLROOBLJCI-LLVKDONJSA-N 2 1 238.379 1.548 20 0 BDADMP COC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000580062421 346501361 /nfs/dbraw/zinc/50/13/61/346501361.db2.gz YCXPPUKZWQLXQP-SDDRHHMPSA-N 2 1 214.353 1.388 20 0 BDADMP CC[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)CC ZINC000380040227 365824122 /nfs/dbraw/zinc/82/41/22/365824122.db2.gz UDKQUNVFEYJXJJ-LBPRGKRZSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)CC ZINC000380040227 365824126 /nfs/dbraw/zinc/82/41/26/365824126.db2.gz UDKQUNVFEYJXJJ-LBPRGKRZSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)CC(C)C ZINC000380040227 365824132 /nfs/dbraw/zinc/82/41/32/365824132.db2.gz UDKQUNVFEYJXJJ-LBPRGKRZSA-N 2 1 216.369 1.277 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)CC(C)C ZINC000380040227 365824134 /nfs/dbraw/zinc/82/41/34/365824134.db2.gz UDKQUNVFEYJXJJ-LBPRGKRZSA-N 2 1 216.369 1.277 20 0 BDADMP COCCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000158523016 346535199 /nfs/dbraw/zinc/53/51/99/346535199.db2.gz FYFNDIISHNPASG-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP COC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187285824 346565160 /nfs/dbraw/zinc/56/51/60/346565160.db2.gz JFGGHWWMLBSGSR-NWDGAFQWSA-N 2 1 214.353 1.152 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187373817 346571571 /nfs/dbraw/zinc/57/15/71/346571571.db2.gz TWPHLSBZCGCAJW-KGLIPLIRSA-N 2 1 242.407 1.933 20 0 BDADMP CCn1cc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000390511020 259392052 /nfs/dbraw/zinc/39/20/52/259392052.db2.gz RJZLRORXBMZXAX-UHFFFAOYSA-N 2 1 222.336 1.135 20 0 BDADMP COC[C@H](C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000187644984 346594150 /nfs/dbraw/zinc/59/41/50/346594150.db2.gz DTUNFNWUSQIRGV-NWDGAFQWSA-N 2 1 239.363 1.700 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2(O)CCCC2)C1 ZINC000577172234 365854550 /nfs/dbraw/zinc/85/45/50/365854550.db2.gz MRJWIJGTMPUYKG-ZDUSSCGKSA-N 2 1 240.391 1.613 20 0 BDADMP COC(=O)CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334124 347226260 /nfs/dbraw/zinc/22/62/60/347226260.db2.gz IRQAYZHJKYWRBA-RYUDHWBXSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CC[N@H+]1C ZINC000395835958 362800112 /nfs/dbraw/zinc/80/01/12/362800112.db2.gz KJXBXTWGJTWWGZ-NEPJUHHUSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CC[N@H+]1C ZINC000395835960 362799435 /nfs/dbraw/zinc/79/94/35/362799435.db2.gz KJXBXTWGJTWWGZ-RYUDHWBXSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1c[nH+]ccc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000192577341 347378148 /nfs/dbraw/zinc/37/81/48/347378148.db2.gz VAJOPNXPFXZRJP-CYBMUJFWSA-N 2 1 248.374 1.438 20 0 BDADMP C[C@@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])O1 ZINC000149763563 347514236 /nfs/dbraw/zinc/51/42/36/347514236.db2.gz CUSAWALKDKAXSJ-UPJWGTAASA-N 2 1 226.364 1.757 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000149784531 347518164 /nfs/dbraw/zinc/51/81/64/347518164.db2.gz ZSNLBLXAFQTLQS-GHMZBOCLSA-N 2 1 200.326 1.095 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000149784531 347518165 /nfs/dbraw/zinc/51/81/65/347518165.db2.gz ZSNLBLXAFQTLQS-GHMZBOCLSA-N 2 1 200.326 1.095 20 0 BDADMP C[C@H](O)C[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC000160353240 347564629 /nfs/dbraw/zinc/56/46/29/347564629.db2.gz ZXBXLPRMPPPLBN-NWDGAFQWSA-N 2 1 223.320 1.118 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859815 179281355 /nfs/dbraw/zinc/28/13/55/179281355.db2.gz NVALXFOMYVRJAC-HNNXBMFYSA-N 2 1 248.370 1.541 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358174734 179281521 /nfs/dbraw/zinc/28/15/21/179281521.db2.gz YZUBCSWFKBVVDM-AWEZNQCLSA-N 2 1 234.343 1.151 20 0 BDADMP Cc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358174734 179281525 /nfs/dbraw/zinc/28/15/25/179281525.db2.gz YZUBCSWFKBVVDM-AWEZNQCLSA-N 2 1 234.343 1.151 20 0 BDADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000577382994 365940551 /nfs/dbraw/zinc/94/05/51/365940551.db2.gz IMLYCSKVDLUQGK-GJZGRUSLSA-N 2 1 248.370 1.929 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308710374 348101639 /nfs/dbraw/zinc/10/16/39/348101639.db2.gz NHRJWLLRJLWZEZ-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cccnc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228158666 179375139 /nfs/dbraw/zinc/37/51/39/179375139.db2.gz YLUCQRRMZFQBLQ-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000397485092 362888244 /nfs/dbraw/zinc/88/82/44/362888244.db2.gz UAKKSWCDRUVUSO-RQJABVFESA-N 2 1 240.391 1.861 20 0 BDADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000251622221 362892152 /nfs/dbraw/zinc/89/21/52/362892152.db2.gz DLLWRGKRARTPHQ-MWWBDVBNSA-N 2 1 238.375 1.769 20 0 BDADMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)C1(C(=O)OC)CCC1 ZINC000596655358 348599654 /nfs/dbraw/zinc/59/96/54/348599654.db2.gz VWDVJQOZWRUXNZ-MNOVXSKESA-N 2 1 242.363 1.306 20 0 BDADMP CCc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])s1 ZINC000308815582 348709610 /nfs/dbraw/zinc/70/96/10/348709610.db2.gz ANPHYXCRDCATLK-SECBINFHSA-N 2 1 228.361 1.062 20 0 BDADMP CCc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])s1 ZINC000308815582 348709613 /nfs/dbraw/zinc/70/96/13/348709613.db2.gz ANPHYXCRDCATLK-SECBINFHSA-N 2 1 228.361 1.062 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CCCCCO)CC1(C)C ZINC000623510407 362935606 /nfs/dbraw/zinc/93/56/06/362935606.db2.gz WJDOGIAXWJRPII-LBPRGKRZSA-N 2 1 228.380 1.611 20 0 BDADMP COc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000054240373 348960974 /nfs/dbraw/zinc/96/09/74/348960974.db2.gz ZVUCZYCVSQSXSG-CYBMUJFWSA-N 2 1 249.358 1.522 20 0 BDADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000054240373 348960975 /nfs/dbraw/zinc/96/09/75/348960975.db2.gz ZVUCZYCVSQSXSG-CYBMUJFWSA-N 2 1 249.358 1.522 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCC2)CC1(C)C ZINC000623517602 362941709 /nfs/dbraw/zinc/94/17/09/362941709.db2.gz LGKIWJHSMILKKH-GFCCVEGCSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000251046491 538032903 /nfs/dbraw/zinc/03/29/03/538032903.db2.gz MXMPHEBCPCSQRV-TUAOUCFPSA-N 2 1 226.364 1.362 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308937370 349169284 /nfs/dbraw/zinc/16/92/84/349169284.db2.gz TXCRQRWYLNRWCV-RYUDHWBXSA-N 2 1 228.405 1.800 20 0 BDADMP COC[C@@H](C)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000253101087 349225594 /nfs/dbraw/zinc/22/55/94/349225594.db2.gz AKTLJMIKFZKEHB-RYUDHWBXSA-N 2 1 216.369 1.574 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252113600 349197132 /nfs/dbraw/zinc/19/71/32/349197132.db2.gz JWSPZLUWFLHFSD-MXWKQRLJSA-N 2 1 220.320 1.207 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252113600 349197135 /nfs/dbraw/zinc/19/71/35/349197135.db2.gz JWSPZLUWFLHFSD-MXWKQRLJSA-N 2 1 220.320 1.207 20 0 BDADMP CCN(C)C[C@H](O)C[N@@H+](C)CC1CCCCC1 ZINC000383676523 349296042 /nfs/dbraw/zinc/29/60/42/349296042.db2.gz PMYAEIYDHKFTME-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CC1CCCCC1 ZINC000383676523 349296045 /nfs/dbraw/zinc/29/60/45/349296045.db2.gz PMYAEIYDHKFTME-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CC1CCCCC1 ZINC000383676523 349296047 /nfs/dbraw/zinc/29/60/47/349296047.db2.gz PMYAEIYDHKFTME-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CC1CCCCC1 ZINC000383676523 349296050 /nfs/dbraw/zinc/29/60/50/349296050.db2.gz PMYAEIYDHKFTME-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CC1CCCCC1 ZINC000383676523 349296053 /nfs/dbraw/zinc/29/60/53/349296053.db2.gz PMYAEIYDHKFTME-AWEZNQCLSA-N 2 1 242.407 1.811 20 0 BDADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC=CCC1)C1CC1 ZINC000380977839 350074127 /nfs/dbraw/zinc/07/41/27/350074127.db2.gz BVYZQXXBAKPIIY-DGCLKSJQSA-N 2 1 224.348 1.140 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC=CCC1)C1CC1 ZINC000380977839 350074132 /nfs/dbraw/zinc/07/41/32/350074132.db2.gz BVYZQXXBAKPIIY-DGCLKSJQSA-N 2 1 224.348 1.140 20 0 BDADMP CSCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000132499608 191032455 /nfs/dbraw/zinc/03/24/55/191032455.db2.gz BRSSLEOLPLRENC-MNOVXSKESA-N 2 1 216.394 1.669 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000133343439 191039255 /nfs/dbraw/zinc/03/92/55/191039255.db2.gz CUXSZLVWYWSAMC-BETUJISGSA-N 2 1 208.349 1.718 20 0 BDADMP C[C@@H](O)[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000315049216 350178487 /nfs/dbraw/zinc/17/84/87/350178487.db2.gz JCVOJFCKSPCCAO-VXGBXAGGSA-N 2 1 237.347 1.055 20 0 BDADMP C[C@@H](O)[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000315049216 350178491 /nfs/dbraw/zinc/17/84/91/350178491.db2.gz JCVOJFCKSPCCAO-VXGBXAGGSA-N 2 1 237.347 1.055 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000315049211 350178501 /nfs/dbraw/zinc/17/85/01/350178501.db2.gz JCVOJFCKSPCCAO-NWDGAFQWSA-N 2 1 237.347 1.055 20 0 BDADMP C[C@H](O)[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000315049211 350178505 /nfs/dbraw/zinc/17/85/05/350178505.db2.gz JCVOJFCKSPCCAO-NWDGAFQWSA-N 2 1 237.347 1.055 20 0 BDADMP COCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422741876 192449613 /nfs/dbraw/zinc/44/96/13/192449613.db2.gz FISJDTVNCMAWBO-WCQYABFASA-N 2 1 222.332 1.181 20 0 BDADMP Cc1ncc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000228202723 180146623 /nfs/dbraw/zinc/14/66/23/180146623.db2.gz IHLNRMZRNTYSIZ-WCBMZHEXSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000228202723 180146624 /nfs/dbraw/zinc/14/66/24/180146624.db2.gz IHLNRMZRNTYSIZ-WCBMZHEXSA-N 2 1 225.361 1.621 20 0 BDADMP C[C@H](O)CC[N@H+](C)CCCc1c[nH+]cn1C ZINC000315089169 350182985 /nfs/dbraw/zinc/18/29/85/350182985.db2.gz ODSHZOTXXUMXDP-NSHDSACASA-N 2 1 225.336 1.055 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000315089169 350182990 /nfs/dbraw/zinc/18/29/90/350182990.db2.gz ODSHZOTXXUMXDP-NSHDSACASA-N 2 1 225.336 1.055 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1ccnc1 ZINC000270986438 180237019 /nfs/dbraw/zinc/23/70/19/180237019.db2.gz HKFHVIGXLHQVPI-UHFFFAOYSA-N 2 1 247.346 1.410 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1ccnc1 ZINC000270986438 180237022 /nfs/dbraw/zinc/23/70/22/180237022.db2.gz HKFHVIGXLHQVPI-UHFFFAOYSA-N 2 1 247.346 1.410 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCCO ZINC000119846268 180237173 /nfs/dbraw/zinc/23/71/73/180237173.db2.gz CNUFBOVSLMYRBC-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCCO ZINC000119846268 180237174 /nfs/dbraw/zinc/23/71/74/180237174.db2.gz CNUFBOVSLMYRBC-UHFFFAOYSA-N 2 1 239.363 1.676 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000336713047 180237581 /nfs/dbraw/zinc/23/75/81/180237581.db2.gz SGZRVWDJZHSCHM-AAEUAGOBSA-N 2 1 237.347 1.427 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000336713047 180237583 /nfs/dbraw/zinc/23/75/83/180237583.db2.gz SGZRVWDJZHSCHM-AAEUAGOBSA-N 2 1 237.347 1.427 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000427607547 191084199 /nfs/dbraw/zinc/08/41/99/191084199.db2.gz UJEMUOKIHDZQEV-BFHYXJOUSA-N 2 1 238.375 1.628 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361417325 180248474 /nfs/dbraw/zinc/24/84/74/180248474.db2.gz WRAFJXAMPSIQFY-ZDUSSCGKSA-N 2 1 237.347 1.691 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361417325 180248477 /nfs/dbraw/zinc/24/84/77/180248477.db2.gz WRAFJXAMPSIQFY-ZDUSSCGKSA-N 2 1 237.347 1.691 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286291713 180251517 /nfs/dbraw/zinc/25/15/17/180251517.db2.gz CCMJPBSINMQLIO-VXGBXAGGSA-N 2 1 223.320 1.037 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286291713 180251518 /nfs/dbraw/zinc/25/15/18/180251518.db2.gz CCMJPBSINMQLIO-VXGBXAGGSA-N 2 1 223.320 1.037 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(SC)CC1 ZINC000309274404 350252158 /nfs/dbraw/zinc/25/21/58/350252158.db2.gz RTXIDCIDBCTTMM-NSHDSACASA-N 2 1 246.420 1.126 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(SC)CC1 ZINC000309274404 350252161 /nfs/dbraw/zinc/25/21/61/350252161.db2.gz RTXIDCIDBCTTMM-NSHDSACASA-N 2 1 246.420 1.126 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCOCC[C@@H]1C ZINC000367724999 180241216 /nfs/dbraw/zinc/24/12/16/180241216.db2.gz QTEPRGTYJWJJSP-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOCC[C@@H]1C ZINC000367724999 180241217 /nfs/dbraw/zinc/24/12/17/180241217.db2.gz QTEPRGTYJWJJSP-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000268896296 180244744 /nfs/dbraw/zinc/24/47/44/180244744.db2.gz VVIWXDMYPIGZBK-NSHDSACASA-N 2 1 247.346 1.666 20 0 BDADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1(C)CC1 ZINC000309102976 323317398 /nfs/dbraw/zinc/31/73/98/323317398.db2.gz GQPFSLSNQSINDX-SNVBAGLBSA-N 2 1 207.321 1.741 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCO)c1ccco1 ZINC000274417324 180262557 /nfs/dbraw/zinc/26/25/57/180262557.db2.gz NIYGEIYTDFDOMP-GFCCVEGCSA-N 2 1 249.314 1.498 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@](C)(CO)C(C)C ZINC000309593953 180263182 /nfs/dbraw/zinc/26/31/82/180263182.db2.gz HSUAPVHGFGDSBZ-GFCCVEGCSA-N 2 1 225.336 1.188 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229064513 180315732 /nfs/dbraw/zinc/31/57/32/180315732.db2.gz CHWNPMBPPHIMIJ-KOLCDFICSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1ncsc1CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228202119 180309190 /nfs/dbraw/zinc/30/91/90/180309190.db2.gz PXALRNXZOUZEDC-GXSJLCMTSA-N 2 1 239.388 1.663 20 0 BDADMP Cc1ncsc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000278842109 180317908 /nfs/dbraw/zinc/31/79/08/180317908.db2.gz ZTUSPNRYYQUOOW-PHIMTYICSA-N 2 1 237.372 1.445 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000070837084 180318140 /nfs/dbraw/zinc/31/81/40/180318140.db2.gz ZGGBOVXSOJOKKA-SCZZXKLOSA-N 2 1 225.361 1.621 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000070837084 180318141 /nfs/dbraw/zinc/31/81/41/180318141.db2.gz ZGGBOVXSOJOKKA-SCZZXKLOSA-N 2 1 225.361 1.621 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)CO)CC1(C)C ZINC000623537048 362955367 /nfs/dbraw/zinc/95/53/67/362955367.db2.gz LKEVKJQWWAGVJL-GFCCVEGCSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000427983293 191104010 /nfs/dbraw/zinc/10/40/10/191104010.db2.gz DWAIDMSLNKKTJE-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000427983293 191104013 /nfs/dbraw/zinc/10/40/13/191104013.db2.gz DWAIDMSLNKKTJE-MQYQWHSLSA-N 2 1 240.391 1.467 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000162719658 350421250 /nfs/dbraw/zinc/42/12/50/350421250.db2.gz SECXCOMHQXJDNJ-KBPBESRZSA-N 2 1 237.391 1.156 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000300351762 490557828 /nfs/dbraw/zinc/55/78/28/490557828.db2.gz DIROSGDUAWTKKK-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP FCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128110035 490572019 /nfs/dbraw/zinc/57/20/19/490572019.db2.gz SICZQRYUZCWIGT-QWRGUYRKSA-N 2 1 200.301 1.562 20 0 BDADMP CCC(CC)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309476168 350563920 /nfs/dbraw/zinc/56/39/20/350563920.db2.gz UZJCTKAJCNGMFC-CYBMUJFWSA-N 2 1 228.380 1.467 20 0 BDADMP CCC(CC)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309476168 350563922 /nfs/dbraw/zinc/56/39/22/350563922.db2.gz UZJCTKAJCNGMFC-CYBMUJFWSA-N 2 1 228.380 1.467 20 0 BDADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000337838236 350628878 /nfs/dbraw/zinc/62/88/78/350628878.db2.gz FASUGRBESNZWEA-CYBMUJFWSA-N 2 1 248.374 1.607 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000337838236 350628880 /nfs/dbraw/zinc/62/88/80/350628880.db2.gz FASUGRBESNZWEA-CYBMUJFWSA-N 2 1 248.374 1.607 20 0 BDADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1(CO)CC1 ZINC000623563808 362988427 /nfs/dbraw/zinc/98/84/27/362988427.db2.gz KQHVIVAABDUYJE-NEPJUHHUSA-N 2 1 240.391 1.610 20 0 BDADMP CN(c1cc[nH+]cc1Br)C1C[NH2+]C1 ZINC000159912504 351026635 /nfs/dbraw/zinc/02/66/35/351026635.db2.gz JAQZWJRTIRIBMW-UHFFFAOYSA-N 2 1 242.120 1.252 20 0 BDADMP CCc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000577616949 366020223 /nfs/dbraw/zinc/02/02/23/366020223.db2.gz KKOPOAZDOBYLIM-OAHLLOKOSA-N 2 1 248.370 1.405 20 0 BDADMP CCc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000577616949 366020228 /nfs/dbraw/zinc/02/02/28/366020228.db2.gz KKOPOAZDOBYLIM-OAHLLOKOSA-N 2 1 248.370 1.405 20 0 BDADMP CS[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000382859173 351057786 /nfs/dbraw/zinc/05/77/86/351057786.db2.gz APKMUDJNLANWHX-NEPJUHHUSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000382859173 351057789 /nfs/dbraw/zinc/05/77/89/351057789.db2.gz APKMUDJNLANWHX-NEPJUHHUSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000382859173 351057791 /nfs/dbraw/zinc/05/77/91/351057791.db2.gz APKMUDJNLANWHX-NEPJUHHUSA-N 2 1 246.420 1.125 20 0 BDADMP CS[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000382859173 351057794 /nfs/dbraw/zinc/05/77/94/351057794.db2.gz APKMUDJNLANWHX-NEPJUHHUSA-N 2 1 246.420 1.125 20 0 BDADMP CC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907815 358464951 /nfs/dbraw/zinc/46/49/51/358464951.db2.gz VBIBSXCZFKRXFQ-BFHYXJOUSA-N 2 1 241.423 1.647 20 0 BDADMP Cc1[nH+]cc(CNCCC[N@@H+](C)C(C)C)n1C ZINC000577651829 366032260 /nfs/dbraw/zinc/03/22/60/366032260.db2.gz SJSFKLCHESSPEW-UHFFFAOYSA-N 2 1 238.379 1.548 20 0 BDADMP Cc1[nH+]cc(CNCCC[N@H+](C)C(C)C)n1C ZINC000577651829 366032265 /nfs/dbraw/zinc/03/22/65/366032265.db2.gz SJSFKLCHESSPEW-UHFFFAOYSA-N 2 1 238.379 1.548 20 0 BDADMP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637858366 351719346 /nfs/dbraw/zinc/71/93/46/351719346.db2.gz AIHIUMIDBABFHM-NSHDSACASA-N 2 1 241.379 1.104 20 0 BDADMP CN(C)c1cc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000638134345 352002413 /nfs/dbraw/zinc/00/24/13/352002413.db2.gz OJPYXFBMTYFRGV-SNVBAGLBSA-N 2 1 246.314 1.134 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638368350 352179563 /nfs/dbraw/zinc/17/95/63/352179563.db2.gz JKHZMEBOGVEXQR-GHMZBOCLSA-N 2 1 243.395 1.206 20 0 BDADMP CCC[C@@H](C[NH2+]CCCn1cc[nH+]c1C)OC ZINC000638384410 352195364 /nfs/dbraw/zinc/19/53/64/352195364.db2.gz ADDKMFYKRFFGQJ-ZDUSSCGKSA-N 2 1 239.363 1.986 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CCC[C@H]1CCO1 ZINC000638457994 352268707 /nfs/dbraw/zinc/26/87/07/352268707.db2.gz QFXZQZHEMJJFNK-LBPRGKRZSA-N 2 1 223.320 1.350 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000340451596 352369806 /nfs/dbraw/zinc/36/98/06/352369806.db2.gz ZFPWKJHNYXBEAV-LLVKDONJSA-N 2 1 249.358 1.922 20 0 BDADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638588779 352420137 /nfs/dbraw/zinc/42/01/37/352420137.db2.gz NNDMZKJBMHYNQB-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000638589371 352420796 /nfs/dbraw/zinc/42/07/96/352420796.db2.gz TVOPCWFJASOHMK-CHWSQXEVSA-N 2 1 248.374 1.339 20 0 BDADMP [NH3+][C@@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000229284267 352750217 /nfs/dbraw/zinc/75/02/17/352750217.db2.gz SILFRYXBLCPAKC-SNVBAGLBSA-N 2 1 200.351 1.163 20 0 BDADMP [NH3+][C@@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000229284267 352750221 /nfs/dbraw/zinc/75/02/21/352750221.db2.gz SILFRYXBLCPAKC-SNVBAGLBSA-N 2 1 200.351 1.163 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334227223 352766991 /nfs/dbraw/zinc/76/69/91/352766991.db2.gz GBDBSUIZKSTPAH-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334227223 352766996 /nfs/dbraw/zinc/76/69/96/352766996.db2.gz GBDBSUIZKSTPAH-KGLIPLIRSA-N 3 1 237.391 1.062 20 0 BDADMP Cc1ccn2c(C[N@@H+]3CC[C@H](C[NH3+])C3)cnc2c1 ZINC000334211571 352808659 /nfs/dbraw/zinc/80/86/59/352808659.db2.gz PWULSFVKKMBCQO-GFCCVEGCSA-N 2 1 244.342 1.423 20 0 BDADMP Cc1ccn2c(C[N@H+]3CC[C@H](C[NH3+])C3)cnc2c1 ZINC000334211571 352808662 /nfs/dbraw/zinc/80/86/62/352808662.db2.gz PWULSFVKKMBCQO-GFCCVEGCSA-N 2 1 244.342 1.423 20 0 BDADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000334235413 352852651 /nfs/dbraw/zinc/85/26/51/352852651.db2.gz HAPWMTWYMUHVIK-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCCO3)C2)C1 ZINC000334235413 352852654 /nfs/dbraw/zinc/85/26/54/352852654.db2.gz HAPWMTWYMUHVIK-UONOGXRCSA-N 2 1 238.375 1.583 20 0 BDADMP CC(C)[NH+](CCN[C@@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000342852770 352875313 /nfs/dbraw/zinc/87/53/13/352875313.db2.gz RTHXDQYYVXHYCO-ZIAGYGMSSA-N 2 1 241.423 1.645 20 0 BDADMP CCC[N@@H+](C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819548 352999724 /nfs/dbraw/zinc/99/97/24/352999724.db2.gz KKGHPMIUOPFLDN-LBPRGKRZSA-N 2 1 241.379 1.058 20 0 BDADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H]1CCC[NH2+]C1 ZINC000251869572 353293421 /nfs/dbraw/zinc/29/34/21/353293421.db2.gz TXVRMESRJJXZSI-RDBSUJKOSA-N 2 1 237.391 1.155 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@H](C)CCOC ZINC000122322730 324041882 /nfs/dbraw/zinc/04/18/82/324041882.db2.gz AKOMUALISIHOTL-GFCCVEGCSA-N 2 1 216.369 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CCOC ZINC000122322730 324041888 /nfs/dbraw/zinc/04/18/88/324041888.db2.gz AKOMUALISIHOTL-GFCCVEGCSA-N 2 1 216.369 1.733 20 0 BDADMP CC(C)C1(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000639048820 353342412 /nfs/dbraw/zinc/34/24/12/353342412.db2.gz AETSKJABNIBBHB-CYBMUJFWSA-N 2 1 226.364 1.079 20 0 BDADMP CC(C)C1(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000639048820 353342415 /nfs/dbraw/zinc/34/24/15/353342415.db2.gz AETSKJABNIBBHB-CYBMUJFWSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000122921875 324064030 /nfs/dbraw/zinc/06/40/30/324064030.db2.gz IDGYWTNNEKRUAB-WOPDTQHZSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H]1[N@@H+](CCCn2ccnc2)CCOC1(C)C ZINC000343324304 353705282 /nfs/dbraw/zinc/70/52/82/353705282.db2.gz WUBRCMUYZKYOQS-LBPRGKRZSA-N 2 1 237.347 1.773 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)OC)CC1 ZINC000343501912 353914996 /nfs/dbraw/zinc/91/49/96/353914996.db2.gz YUPBKUQINBBGLJ-NWDGAFQWSA-N 2 1 244.379 1.110 20 0 BDADMP CC[NH+]1C[C@@H](C)[C@H](NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000343557949 353920906 /nfs/dbraw/zinc/92/09/06/353920906.db2.gz GOHAHIVIBIXIQJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000343557949 353920908 /nfs/dbraw/zinc/92/09/08/353920908.db2.gz GOHAHIVIBIXIQJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000343557949 353920913 /nfs/dbraw/zinc/92/09/13/353920913.db2.gz GOHAHIVIBIXIQJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CCN1C[C@@H](C)[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1 ZINC000343557949 353920916 /nfs/dbraw/zinc/92/09/16/353920916.db2.gz GOHAHIVIBIXIQJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP CCN1C[C@@H](C)[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1 ZINC000343557949 353920918 /nfs/dbraw/zinc/92/09/18/353920918.db2.gz GOHAHIVIBIXIQJ-MGPQQGTHSA-N 2 1 239.407 1.258 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccn1 ZINC000630078595 363282172 /nfs/dbraw/zinc/28/21/72/363282172.db2.gz URQKTZNSQBBMPI-GXFFZTMASA-N 2 1 219.332 1.417 20 0 BDADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639168372 354072612 /nfs/dbraw/zinc/07/26/12/354072612.db2.gz RVWKRWYMSHCCKP-UHFFFAOYSA-N 2 1 223.320 1.171 20 0 BDADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639168372 354072615 /nfs/dbraw/zinc/07/26/15/354072615.db2.gz RVWKRWYMSHCCKP-UHFFFAOYSA-N 2 1 223.320 1.171 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1CNc1ccnc(C)n1 ZINC000343931393 354045908 /nfs/dbraw/zinc/04/59/08/354045908.db2.gz BLNLOVZNDOXALY-GFCCVEGCSA-N 2 1 234.347 1.493 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000344068298 354131738 /nfs/dbraw/zinc/13/17/38/354131738.db2.gz VGXPXKODCKVSGM-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000344068298 354131744 /nfs/dbraw/zinc/13/17/44/354131744.db2.gz VGXPXKODCKVSGM-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000344068298 354131747 /nfs/dbraw/zinc/13/17/47/354131747.db2.gz VGXPXKODCKVSGM-RDBSUJKOSA-N 2 1 241.423 1.647 20 0 BDADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000344221562 354181917 /nfs/dbraw/zinc/18/19/17/354181917.db2.gz MTMCXZPOIDNAAN-OUCADQQQSA-N 2 1 239.407 1.399 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000344221562 354181921 /nfs/dbraw/zinc/18/19/21/354181921.db2.gz MTMCXZPOIDNAAN-OUCADQQQSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000344221562 354181926 /nfs/dbraw/zinc/18/19/26/354181926.db2.gz MTMCXZPOIDNAAN-OUCADQQQSA-N 2 1 239.407 1.399 20 0 BDADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000344221562 354181928 /nfs/dbraw/zinc/18/19/28/354181928.db2.gz MTMCXZPOIDNAAN-OUCADQQQSA-N 2 1 239.407 1.399 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000344379369 354256226 /nfs/dbraw/zinc/25/62/26/354256226.db2.gz SRTOYKCYGKQOSN-KBPBESRZSA-N 2 1 249.358 1.739 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639187434 354385508 /nfs/dbraw/zinc/38/55/08/354385508.db2.gz AVIHVTVBAPXCOX-STQMWFEESA-N 2 1 228.380 1.874 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC000639187434 354385513 /nfs/dbraw/zinc/38/55/13/354385513.db2.gz AVIHVTVBAPXCOX-STQMWFEESA-N 2 1 228.380 1.874 20 0 BDADMP CCOc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000578070513 366219608 /nfs/dbraw/zinc/21/96/08/366219608.db2.gz VVUMTZPIEPDNMO-QWRGUYRKSA-N 2 1 237.347 1.696 20 0 BDADMP C[C@H]([NH2+]CCC[NH3+])c1cccc(F)c1F ZINC000235517145 363446213 /nfs/dbraw/zinc/44/62/13/363446213.db2.gz LTDHNJVSQCVIJA-QMMMGPOBSA-N 2 1 214.259 1.964 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000335168626 354930146 /nfs/dbraw/zinc/93/01/46/354930146.db2.gz GJKQMTONEQTWQA-JSGCOSHPSA-N 2 1 238.375 1.365 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000335168626 354930149 /nfs/dbraw/zinc/93/01/49/354930149.db2.gz GJKQMTONEQTWQA-JSGCOSHPSA-N 2 1 238.375 1.365 20 0 BDADMP C[C@H]1[C@@H](CO)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000335173350 354939842 /nfs/dbraw/zinc/93/98/42/354939842.db2.gz NEDRUEFXJPYXRZ-WCQYABFASA-N 2 1 226.364 1.079 20 0 BDADMP COc1ccsc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346686652 355012954 /nfs/dbraw/zinc/01/29/54/355012954.db2.gz RZPQPPOIOSDISU-UWVGGRQHSA-N 2 1 240.372 1.926 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000346633550 355014744 /nfs/dbraw/zinc/01/47/44/355014744.db2.gz FMJFVAYXTNKPBS-GHMZBOCLSA-N 2 1 248.326 1.584 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCSC3)C2)C1 ZINC000335228630 355070840 /nfs/dbraw/zinc/07/08/40/355070840.db2.gz NVTQVRYIHWWMKJ-STQMWFEESA-N 2 1 240.416 1.767 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCSC3)C2)C1 ZINC000335228630 355070844 /nfs/dbraw/zinc/07/08/44/355070844.db2.gz NVTQVRYIHWWMKJ-STQMWFEESA-N 2 1 240.416 1.767 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCSC3)C2)C1 ZINC000335228630 355070846 /nfs/dbraw/zinc/07/08/46/355070846.db2.gz NVTQVRYIHWWMKJ-STQMWFEESA-N 2 1 240.416 1.767 20 0 BDADMP C1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2(C1)CCOCC2 ZINC000335182215 355079808 /nfs/dbraw/zinc/07/98/08/355079808.db2.gz SKOPCETXLMCJHQ-OLZOCXBDSA-N 2 1 238.375 1.677 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000346786429 355116424 /nfs/dbraw/zinc/11/64/24/355116424.db2.gz DZPDGHPZAFPQCG-OCCSQVGLSA-N 2 1 239.407 1.543 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000346848986 355137770 /nfs/dbraw/zinc/13/77/70/355137770.db2.gz GBQHZTHWUJQTDK-ZDUSSCGKSA-N 2 1 228.380 1.471 20 0 BDADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000346891047 355145353 /nfs/dbraw/zinc/14/53/53/355145353.db2.gz VWPBGUGLHCPDEL-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000346964734 355172249 /nfs/dbraw/zinc/17/22/49/355172249.db2.gz BVAOPRFLJZXPLH-GFCCVEGCSA-N 2 1 240.347 1.014 20 0 BDADMP CC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000412974448 191344419 /nfs/dbraw/zinc/34/44/19/191344419.db2.gz AMZVDUCUIUZAST-PIGZVRMJSA-N 2 1 240.391 1.968 20 0 BDADMP CC[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000412974448 191344421 /nfs/dbraw/zinc/34/44/21/191344421.db2.gz AMZVDUCUIUZAST-PIGZVRMJSA-N 2 1 240.391 1.968 20 0 BDADMP CC[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000412974448 191344423 /nfs/dbraw/zinc/34/44/23/191344423.db2.gz AMZVDUCUIUZAST-PIGZVRMJSA-N 2 1 240.391 1.968 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000412975273 191345798 /nfs/dbraw/zinc/34/57/98/191345798.db2.gz FAUBFMJPSGBORE-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000412975273 191345799 /nfs/dbraw/zinc/34/57/99/191345799.db2.gz FAUBFMJPSGBORE-MGPQQGTHSA-N 2 1 240.391 1.828 20 0 BDADMP CC[C@H](C[N@H+](C)C1CC[NH+](CC)CC1)OC ZINC000412975268 191347180 /nfs/dbraw/zinc/34/71/80/191347180.db2.gz DZXDOFPYTWIQHZ-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP CC[C@H](C[N@@H+](C)C1CC[NH+](CC)CC1)OC ZINC000412975268 191347181 /nfs/dbraw/zinc/34/71/81/191347181.db2.gz DZXDOFPYTWIQHZ-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP CC[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000412979007 191349292 /nfs/dbraw/zinc/34/92/92/191349292.db2.gz RQWOEEVTSFSGCO-KBPBESRZSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000347687611 355267620 /nfs/dbraw/zinc/26/76/20/355267620.db2.gz JHHUHDJXTHQIGX-CYBMUJFWSA-N 2 1 243.395 1.208 20 0 BDADMP CC[NH+](CC)CCCN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000347664121 355255204 /nfs/dbraw/zinc/25/52/04/355255204.db2.gz OUUBWNIOEFUOPT-ZIAGYGMSSA-N 2 1 241.423 1.648 20 0 BDADMP CC(C)C[C@H]([NH3+])CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414696390 191548412 /nfs/dbraw/zinc/54/84/12/191548412.db2.gz HKQVSHASELNUAL-RDBSUJKOSA-N 2 1 241.423 1.774 20 0 BDADMP [NH3+]CCC[NH2+]C1(c2nccs2)CCCC1 ZINC000414710777 191553895 /nfs/dbraw/zinc/55/38/95/191553895.db2.gz QKTOGDDKHNARPF-UHFFFAOYSA-N 2 1 225.361 1.851 20 0 BDADMP C[C@@H](F)CC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000352050744 134046760 /nfs/dbraw/zinc/04/67/60/134046760.db2.gz UTLVMTLKEVASPX-LLVKDONJSA-N 2 1 232.343 1.123 20 0 BDADMP C[C@@H](F)CC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000352050744 134046761 /nfs/dbraw/zinc/04/67/61/134046761.db2.gz UTLVMTLKEVASPX-LLVKDONJSA-N 2 1 232.343 1.123 20 0 BDADMP C[N@@H+](Cc1cccc(O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000215952243 355618291 /nfs/dbraw/zinc/61/82/91/355618291.db2.gz MLGLPDPVBWGWJP-CYBMUJFWSA-N 2 1 234.343 1.966 20 0 BDADMP C[NH2+]C[C@](C)(O)C[NH2+][C@H](C)c1ccccc1 ZINC000583569812 355635439 /nfs/dbraw/zinc/63/54/39/355635439.db2.gz OHWXOJWBEPGNER-YPMHNXCESA-N 2 1 222.332 1.308 20 0 BDADMP CC(C)[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000166815720 355851967 /nfs/dbraw/zinc/85/19/67/355851967.db2.gz YVRISNPFWFQBAX-GFCCVEGCSA-N 2 1 228.380 1.467 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000336026834 134057343 /nfs/dbraw/zinc/05/73/43/134057343.db2.gz PXULCDCHORRDLP-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000336026834 134057344 /nfs/dbraw/zinc/05/73/44/134057344.db2.gz PXULCDCHORRDLP-GXTWGEPZSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000166815830 355851997 /nfs/dbraw/zinc/85/19/97/355851997.db2.gz YVRISNPFWFQBAX-LBPRGKRZSA-N 2 1 228.380 1.467 20 0 BDADMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000167323193 355991487 /nfs/dbraw/zinc/99/14/87/355991487.db2.gz LHQXKQGUUUQKFD-VXGBXAGGSA-N 2 1 241.379 1.104 20 0 BDADMP C[C@@H](C[NH3+])Nc1cc(NCC2CC2)[nH+]cn1 ZINC000420237858 192182676 /nfs/dbraw/zinc/18/26/76/192182676.db2.gz CUYXEDZIBBYZTF-QMMMGPOBSA-N 2 1 221.308 1.058 20 0 BDADMP [NH3+]CC[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000420241456 192184714 /nfs/dbraw/zinc/18/47/14/192184714.db2.gz LKALSCKENZDLSR-JTQLQIEISA-N 2 1 245.330 1.523 20 0 BDADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([NH3+])[C@H]1C ZINC000420259870 192189923 /nfs/dbraw/zinc/18/99/23/192189923.db2.gz ZKVZJEWMSDCKEK-MWLCHTKSSA-N 2 1 249.314 1.184 20 0 BDADMP C(C[N@H+]1CCC[C@@H]2COCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000420299219 192204418 /nfs/dbraw/zinc/20/44/18/192204418.db2.gz IJVMVGRXEGHVIL-BFHYXJOUSA-N 2 1 238.375 1.487 20 0 BDADMP CC[NH+](CC)CCCN1CCC(C[NH2+]C)CC1 ZINC000420297709 192204739 /nfs/dbraw/zinc/20/47/39/192204739.db2.gz RLMWTOTYSQHKTE-UHFFFAOYSA-N 2 1 241.423 1.650 20 0 BDADMP C[C@H](O)CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420296757 192206012 /nfs/dbraw/zinc/20/60/12/192206012.db2.gz DTXVRDSDKZBVRV-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP COc1ccccc1CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420287967 192201120 /nfs/dbraw/zinc/20/11/20/192201120.db2.gz GUOBEFYFRBLWKG-CYBMUJFWSA-N 2 1 248.370 1.908 20 0 BDADMP CCOC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420288492 192201212 /nfs/dbraw/zinc/20/12/12/192201212.db2.gz IXZHENLOTXKNPB-NSHDSACASA-N 2 1 230.352 1.245 20 0 BDADMP CCC[N@@H+](CC)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000217703773 535300925 /nfs/dbraw/zinc/30/09/25/535300925.db2.gz QTRQVUORPDARPM-KGLIPLIRSA-N 2 1 241.423 1.825 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCO[C@@H]2C)CC1 ZINC000639509614 356338860 /nfs/dbraw/zinc/33/88/60/356338860.db2.gz HSHGHWUHYCYUMY-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCO[C@@H]2C)CC1 ZINC000639509614 356338864 /nfs/dbraw/zinc/33/88/64/356338864.db2.gz HSHGHWUHYCYUMY-CHWSQXEVSA-N 2 1 240.391 1.828 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338944 192216413 /nfs/dbraw/zinc/21/64/13/192216413.db2.gz YIXUYSQYHDNWJA-MJBXVCDLSA-N 2 1 238.375 1.344 20 0 BDADMP CC(C)COCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354036 192218056 /nfs/dbraw/zinc/21/80/56/192218056.db2.gz BIEASJIRTHPZIK-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)n1 ZINC000420300258 192207631 /nfs/dbraw/zinc/20/76/31/192207631.db2.gz CFCJNBKKKVLZAI-SOUVJXGZSA-N 2 1 245.370 1.868 20 0 BDADMP CC(C)OC(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420302810 192208002 /nfs/dbraw/zinc/20/80/02/192208002.db2.gz GPSCHZMJHDQLRO-ZDUSSCGKSA-N 2 1 240.347 1.014 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420302810 192208005 /nfs/dbraw/zinc/20/80/05/192208005.db2.gz GPSCHZMJHDQLRO-ZDUSSCGKSA-N 2 1 240.347 1.014 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420304542 192208273 /nfs/dbraw/zinc/20/82/73/192208273.db2.gz YDXWNBBKMAKMOU-AWEZNQCLSA-N 2 1 233.359 1.827 20 0 BDADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420304542 192208275 /nfs/dbraw/zinc/20/82/75/192208275.db2.gz YDXWNBBKMAKMOU-AWEZNQCLSA-N 2 1 233.359 1.827 20 0 BDADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@H]1CCCCO1 ZINC000420307282 192208556 /nfs/dbraw/zinc/20/85/56/192208556.db2.gz BWKVFGAGTBRVSB-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@H]1CCCCO1 ZINC000420307282 192208558 /nfs/dbraw/zinc/20/85/58/192208558.db2.gz BWKVFGAGTBRVSB-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@@H]1CCCCO1 ZINC000420308132 192210002 /nfs/dbraw/zinc/21/00/02/192210002.db2.gz CLQPQEHGNOYPGN-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000420313007 192210657 /nfs/dbraw/zinc/21/06/57/192210657.db2.gz SZIKLNHMGNDQAT-RFQIPJPRSA-N 3 1 237.391 1.045 20 0 BDADMP CCCC[N@@H+](CCOC)CC[C@H]1CC[NH2+]C1 ZINC000420308531 192211364 /nfs/dbraw/zinc/21/13/64/192211364.db2.gz SIUZEPWSQHVPGT-CYBMUJFWSA-N 2 1 228.380 1.735 20 0 BDADMP C[C@@H]1[C@H](C)NCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420315859 192212300 /nfs/dbraw/zinc/21/23/00/192212300.db2.gz SBIOGFCUXHULIB-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP C[C@@H]1[C@H](C)[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420315859 192212302 /nfs/dbraw/zinc/21/23/02/192212302.db2.gz SBIOGFCUXHULIB-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP COC(=O)[C@H](C)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420371108 192227335 /nfs/dbraw/zinc/22/73/35/192227335.db2.gz ZMJZBMRIZOIJJV-VXGBXAGGSA-N 2 1 242.363 1.117 20 0 BDADMP COC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420370771 192228063 /nfs/dbraw/zinc/22/80/63/192228063.db2.gz ZDPCOMSXNXKAMS-NEPJUHHUSA-N 2 1 240.347 1.014 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)CCN1C ZINC000420327759 192229494 /nfs/dbraw/zinc/22/94/94/192229494.db2.gz ZBLSQAVYBRERAR-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000420327759 192229496 /nfs/dbraw/zinc/22/94/96/192229496.db2.gz ZBLSQAVYBRERAR-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000420327759 192229499 /nfs/dbraw/zinc/22/94/99/192229499.db2.gz ZBLSQAVYBRERAR-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)CC[NH+]1C ZINC000420327759 192229501 /nfs/dbraw/zinc/22/95/01/192229501.db2.gz ZBLSQAVYBRERAR-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)CC[NH+]1C ZINC000420327759 192229503 /nfs/dbraw/zinc/22/95/03/192229503.db2.gz ZBLSQAVYBRERAR-MCIONIFRSA-N 3 1 239.407 1.401 20 0 BDADMP CCOCCC[N@@H+]1CCNC[C@](C)(F)C1 ZINC000420328037 192230268 /nfs/dbraw/zinc/23/02/68/192230268.db2.gz GYAITTSFHDIHPA-NSHDSACASA-N 2 1 218.316 1.046 20 0 BDADMP C[C@H](C1CC1)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420324455 192230695 /nfs/dbraw/zinc/23/06/95/192230695.db2.gz VJJRIFJFSZBFLP-GFCCVEGCSA-N 2 1 237.391 1.155 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCCc2ccccc21 ZINC000420356624 192219333 /nfs/dbraw/zinc/21/93/33/192219333.db2.gz RCCOURJRCBQFBS-TZMCWYRMSA-N 2 1 234.343 1.315 20 0 BDADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCc1ccncc1 ZINC000420358314 192219382 /nfs/dbraw/zinc/21/93/82/192219382.db2.gz IHJRHHGFSHGJAW-CYBMUJFWSA-N 2 1 235.375 1.977 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000352186143 134099837 /nfs/dbraw/zinc/09/98/37/134099837.db2.gz JHTJCFOBFUVANV-CQSZACIVSA-N 2 1 240.391 1.973 20 0 BDADMP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420355072 192220782 /nfs/dbraw/zinc/22/07/82/192220782.db2.gz PQASCGAEGXDQOS-JOYOIKCWSA-N 2 1 226.295 1.138 20 0 BDADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420355072 192220787 /nfs/dbraw/zinc/22/07/87/192220787.db2.gz PQASCGAEGXDQOS-JOYOIKCWSA-N 2 1 226.295 1.138 20 0 BDADMP CC(C)[N@@H+](CCC[NH3+])CCc1nccs1 ZINC000420359959 192221220 /nfs/dbraw/zinc/22/12/20/192221220.db2.gz LHWTVPGBGQABSN-UHFFFAOYSA-N 2 1 227.377 1.745 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(CCC[NH2+]C)C[C@H]1C ZINC000420365785 192223349 /nfs/dbraw/zinc/22/33/49/192223349.db2.gz SOXMXINFNNPTTE-VXGBXAGGSA-N 2 1 213.369 1.010 20 0 BDADMP [NH3+]C[C@H]([NH2+]CCn1cccn1)C1CCCCC1 ZINC000420365860 192223796 /nfs/dbraw/zinc/22/37/96/192223796.db2.gz LTOFDVTZWZWBAY-ZDUSSCGKSA-N 2 1 236.363 1.380 20 0 BDADMP CCC(C)(C)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000420365500 192224403 /nfs/dbraw/zinc/22/44/03/192224403.db2.gz DXSRLBBNIPWBHP-GFCCVEGCSA-N 2 1 228.380 1.862 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccccc1OC ZINC000420369356 192225147 /nfs/dbraw/zinc/22/51/47/192225147.db2.gz IRSMYZAKOSQOFB-NSHDSACASA-N 2 1 222.332 1.955 20 0 BDADMP C[C@@H]([NH3+])CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000420367853 192225161 /nfs/dbraw/zinc/22/51/61/192225161.db2.gz WILSLBUBBMCORJ-MWLCHTKSSA-N 2 1 249.362 1.209 20 0 BDADMP CCOCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420381872 192234471 /nfs/dbraw/zinc/23/44/71/192234471.db2.gz CUMLKTUQZWFRLT-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC(C)OC(=O)CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420381833 192235856 /nfs/dbraw/zinc/23/58/56/192235856.db2.gz ZLAYHTPGVCFREY-GMXVVIOVSA-N 2 1 242.363 1.304 20 0 BDADMP C[N@H+]1CC[C@H](NCCC[NH3+])[C@H]1c1ccccc1 ZINC000420390634 192236262 /nfs/dbraw/zinc/23/62/62/192236262.db2.gz ABXPQFIKPOBOBX-UONOGXRCSA-N 2 1 233.359 1.370 20 0 BDADMP C[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000420393474 192236293 /nfs/dbraw/zinc/23/62/93/192236293.db2.gz CDPGFOXIUJUZOZ-GJZGRUSLSA-N 2 1 247.386 1.631 20 0 BDADMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000011888448 356421394 /nfs/dbraw/zinc/42/13/94/356421394.db2.gz LEPQOVOSFZYGON-CQSZACIVSA-N 2 1 248.370 1.908 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000420412065 192239967 /nfs/dbraw/zinc/23/99/67/192239967.db2.gz SAMALEPZILWFLF-FPMFFAJLSA-N 2 1 234.343 1.701 20 0 BDADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420415235 192241356 /nfs/dbraw/zinc/24/13/56/192241356.db2.gz UXPKLMNDNVEQCX-NEPJUHHUSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000420377198 192231711 /nfs/dbraw/zinc/23/17/11/192231711.db2.gz RXNKUIKHRVHYOV-DGCLKSJQSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000420377198 192231713 /nfs/dbraw/zinc/23/17/13/192231713.db2.gz RXNKUIKHRVHYOV-DGCLKSJQSA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000420377201 192231813 /nfs/dbraw/zinc/23/18/13/192231813.db2.gz RXNKUIKHRVHYOV-YPMHNXCESA-N 2 1 242.363 1.245 20 0 BDADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000420377201 192231815 /nfs/dbraw/zinc/23/18/15/192231815.db2.gz RXNKUIKHRVHYOV-YPMHNXCESA-N 2 1 242.363 1.245 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000420381235 192233477 /nfs/dbraw/zinc/23/34/77/192233477.db2.gz ZBIQHUHURXHPAP-YIYPIFLZSA-N 2 1 240.391 1.922 20 0 BDADMP CO[C@H]1CC[N@@H+](CCc2cncn2C)[C@@H](C)C1 ZINC000639623872 356543475 /nfs/dbraw/zinc/54/34/75/356543475.db2.gz AGSZXWPNWQPFRE-AAEUAGOBSA-N 2 1 237.347 1.462 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000420927996 192286693 /nfs/dbraw/zinc/28/66/93/192286693.db2.gz AZEKRIYJDHKEJT-IGQOVBAYSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000420927996 192286696 /nfs/dbraw/zinc/28/66/96/192286696.db2.gz AZEKRIYJDHKEJT-IGQOVBAYSA-N 2 1 240.391 1.419 20 0 BDADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000420927996 192286698 /nfs/dbraw/zinc/28/66/98/192286698.db2.gz AZEKRIYJDHKEJT-IGQOVBAYSA-N 2 1 240.391 1.419 20 0 BDADMP C[N@H+]1CC[C@]2(CCN(CCC(F)(F)F)C2)C1 ZINC000336198502 134127534 /nfs/dbraw/zinc/12/75/34/134127534.db2.gz RYCTZFHROOYZPJ-JTQLQIEISA-N 2 1 236.281 1.966 20 0 BDADMP C[N@@H+]1CC[C@]2(CC[NH+](CCC(F)(F)F)C2)C1 ZINC000336198502 134127535 /nfs/dbraw/zinc/12/75/35/134127535.db2.gz RYCTZFHROOYZPJ-JTQLQIEISA-N 2 1 236.281 1.966 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(F)(F)F)C2)C1 ZINC000336198502 134127536 /nfs/dbraw/zinc/12/75/36/134127536.db2.gz RYCTZFHROOYZPJ-JTQLQIEISA-N 2 1 236.281 1.966 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(F)(F)F)C2)C1 ZINC000336198502 134127537 /nfs/dbraw/zinc/12/75/37/134127537.db2.gz RYCTZFHROOYZPJ-JTQLQIEISA-N 2 1 236.281 1.966 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(F)(F)F)C2)C1 ZINC000336198502 134127538 /nfs/dbraw/zinc/12/75/38/134127538.db2.gz RYCTZFHROOYZPJ-JTQLQIEISA-N 2 1 236.281 1.966 20 0 BDADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccon3)C2)CC1 ZINC000639756636 356662056 /nfs/dbraw/zinc/66/20/56/356662056.db2.gz ZVHQFTUJZQBHRI-UHFFFAOYSA-N 2 1 235.331 1.592 20 0 BDADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCCOC3)C2)CC1 ZINC000639757397 356663611 /nfs/dbraw/zinc/66/36/11/356663611.db2.gz KUWQISLQGBGVPQ-ZDUSSCGKSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639761080 356675899 /nfs/dbraw/zinc/67/58/99/356675899.db2.gz CVSGYYNLXGBCTB-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761080 356675902 /nfs/dbraw/zinc/67/59/02/356675902.db2.gz CVSGYYNLXGBCTB-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761080 356675907 /nfs/dbraw/zinc/67/59/07/356675907.db2.gz CVSGYYNLXGBCTB-FRRDWIJNSA-N 2 1 226.364 1.031 20 0 BDADMP CC(C)C[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761842 356679109 /nfs/dbraw/zinc/67/91/09/356679109.db2.gz FGFKGAMSJSALGD-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CC(C)C[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761842 356679112 /nfs/dbraw/zinc/67/91/12/356679112.db2.gz FGFKGAMSJSALGD-UONOGXRCSA-N 2 1 242.407 1.810 20 0 BDADMP CCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000450473484 202178138 /nfs/dbraw/zinc/17/81/38/202178138.db2.gz ZRBSQVABUVQKLN-CQSZACIVSA-N 2 1 242.407 1.954 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1(C)C ZINC000623370371 356872767 /nfs/dbraw/zinc/87/27/67/356872767.db2.gz HXGSVGPRCZXYGR-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCOC2)CC1(C)C ZINC000623370370 356872853 /nfs/dbraw/zinc/87/28/53/356872853.db2.gz HXGSVGPRCZXYGR-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1c[nH+]ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450598129 202207090 /nfs/dbraw/zinc/20/70/90/202207090.db2.gz PYACSSHAABIREM-CYBMUJFWSA-N 2 1 249.358 1.071 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCC1CC1 ZINC000393730803 357294355 /nfs/dbraw/zinc/29/43/55/357294355.db2.gz GKVFROSZAZLYGS-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC1CC1 ZINC000393730803 357294360 /nfs/dbraw/zinc/29/43/60/357294360.db2.gz GKVFROSZAZLYGS-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCC1CC1 ZINC000393730803 357294363 /nfs/dbraw/zinc/29/43/63/357294363.db2.gz GKVFROSZAZLYGS-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC1CC1 ZINC000393730803 357294366 /nfs/dbraw/zinc/29/43/66/357294366.db2.gz GKVFROSZAZLYGS-GFCCVEGCSA-N 2 1 214.353 1.031 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623408023 357404068 /nfs/dbraw/zinc/40/40/68/357404068.db2.gz DWDCMWMRTZJEHA-YPMHNXCESA-N 2 1 228.380 1.610 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+]CCOCC2CC2)CC1(C)C ZINC000623410101 357503785 /nfs/dbraw/zinc/50/37/85/357503785.db2.gz APHHAMTWAIAGPG-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)CC1(C)C ZINC000623412434 357585869 /nfs/dbraw/zinc/58/58/69/357585869.db2.gz KTWUTSSLAFCEPR-LBPRGKRZSA-N 2 1 240.391 1.754 20 0 BDADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361152632 538868149 /nfs/dbraw/zinc/86/81/49/538868149.db2.gz JZFIPTHVXPAWAR-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H](NCc1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC000583263197 357739105 /nfs/dbraw/zinc/73/91/05/357739105.db2.gz OGMCMQMMJZGUKN-SWLSCSKDSA-N 2 1 247.386 1.623 20 0 BDADMP Cc1c[nH+]ccc1N(C)CC[N@@H+](C)C1CC1 ZINC000192777479 357851838 /nfs/dbraw/zinc/85/18/38/357851838.db2.gz UQDJVWIDLXANJI-UHFFFAOYSA-N 2 1 219.332 1.920 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416863 357860404 /nfs/dbraw/zinc/86/04/04/357860404.db2.gz KDSANHGEKWJESO-RWMBFGLXSA-N 2 1 242.407 1.856 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000583747933 357933119 /nfs/dbraw/zinc/93/31/19/357933119.db2.gz KEJRCTZVSXVYIF-CYBMUJFWSA-N 2 1 240.391 1.613 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C1CCOCC1 ZINC000036321661 358020216 /nfs/dbraw/zinc/02/02/16/358020216.db2.gz DCUOZTVDHNTVFU-NSHDSACASA-N 2 1 214.353 1.471 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000217748965 134249280 /nfs/dbraw/zinc/24/92/80/134249280.db2.gz GCQKIHNQGSZSPC-CHWSQXEVSA-N 2 1 227.396 1.448 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CC2)CC1(C)C ZINC000623418117 358061979 /nfs/dbraw/zinc/06/19/79/358061979.db2.gz CGWKSIWNBXSCLN-NWDGAFQWSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000223008173 358214192 /nfs/dbraw/zinc/21/41/92/358214192.db2.gz FLWDBVYMNUMRIK-MGPQQGTHSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)[C@@H](C)C1 ZINC000305112952 491129069 /nfs/dbraw/zinc/12/90/69/491129069.db2.gz GQYLQMJBXMFWBQ-STQMWFEESA-N 2 1 240.391 1.611 20 0 BDADMP COc1ccc(C[NH2+][C@H](C)CC[NH3+])c(F)c1 ZINC000228737614 358384569 /nfs/dbraw/zinc/38/45/69/358384569.db2.gz PNKSCHIKWLLSBX-SECBINFHSA-N 2 1 226.295 1.661 20 0 BDADMP C[C@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000580416257 358518079 /nfs/dbraw/zinc/51/80/79/358518079.db2.gz PXJQDCVOOSWZCI-ZDUSSCGKSA-N 2 1 248.370 1.405 20 0 BDADMP C[C@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000580416257 358518082 /nfs/dbraw/zinc/51/80/82/358518082.db2.gz PXJQDCVOOSWZCI-ZDUSSCGKSA-N 2 1 248.370 1.405 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124562728 358518294 /nfs/dbraw/zinc/51/82/94/358518294.db2.gz BWPOVNIOGIIFJR-CYBMUJFWSA-N 2 1 235.375 1.847 20 0 BDADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC000193599572 358433897 /nfs/dbraw/zinc/43/38/97/358433897.db2.gz OSHLAVGOBCOTTG-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC000193599572 358433901 /nfs/dbraw/zinc/43/39/01/358433901.db2.gz OSHLAVGOBCOTTG-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC000193599572 358433906 /nfs/dbraw/zinc/43/39/06/358433906.db2.gz OSHLAVGOBCOTTG-FRRDWIJNSA-N 2 1 224.348 1.049 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)CC[N@H+]1C ZINC000129668230 358592411 /nfs/dbraw/zinc/59/24/11/358592411.db2.gz OAWUAXKSRJLLKG-VXGBXAGGSA-N 2 1 222.332 1.894 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccn1 ZINC000133308573 358750611 /nfs/dbraw/zinc/75/06/11/358750611.db2.gz ACMQLCXWEYMULC-ZDUSSCGKSA-N 2 1 221.348 1.887 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccn1 ZINC000133308573 358750612 /nfs/dbraw/zinc/75/06/12/358750612.db2.gz ACMQLCXWEYMULC-ZDUSSCGKSA-N 2 1 221.348 1.887 20 0 BDADMP C[N@@H+](CCCF)C[C@H]1CCC[NH+](C)C1 ZINC000133426380 358753967 /nfs/dbraw/zinc/75/39/67/358753967.db2.gz JXRLASJSXSUHKE-NSHDSACASA-N 2 1 202.317 1.620 20 0 BDADMP C[NH+](CCCF)C[C@H]1CCC[N@H+](C)C1 ZINC000133426380 358753969 /nfs/dbraw/zinc/75/39/69/358753969.db2.gz JXRLASJSXSUHKE-NSHDSACASA-N 2 1 202.317 1.620 20 0 BDADMP C[NH+](CCCF)C[C@H]1CCC[N@@H+](C)C1 ZINC000133426380 358753974 /nfs/dbraw/zinc/75/39/74/358753974.db2.gz JXRLASJSXSUHKE-NSHDSACASA-N 2 1 202.317 1.620 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000051990793 358769520 /nfs/dbraw/zinc/76/95/20/358769520.db2.gz BFZWPHAMTOLSRV-OLZOCXBDSA-N 2 1 226.364 1.364 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000136136846 358865352 /nfs/dbraw/zinc/86/53/52/358865352.db2.gz JHNXOENTQCUYIZ-GFCCVEGCSA-N 2 1 244.342 1.699 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000054111220 358852982 /nfs/dbraw/zinc/85/29/82/358852982.db2.gz IXZLIABVPNXCAQ-MGPQQGTHSA-N 2 1 241.423 1.645 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000054111220 358852985 /nfs/dbraw/zinc/85/29/85/358852985.db2.gz IXZLIABVPNXCAQ-MGPQQGTHSA-N 2 1 241.423 1.645 20 0 BDADMP CC(C)[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000054111220 358852989 /nfs/dbraw/zinc/85/29/89/358852989.db2.gz IXZLIABVPNXCAQ-MGPQQGTHSA-N 2 1 241.423 1.645 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247135753 359196254 /nfs/dbraw/zinc/19/62/54/359196254.db2.gz WTVCMKBDEWHXOA-XQHKEYJVSA-N 2 1 228.380 1.466 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccoc1 ZINC000423396718 192740542 /nfs/dbraw/zinc/74/05/42/192740542.db2.gz UGWBBTJJSCPVJU-GHMZBOCLSA-N 2 1 210.321 1.798 20 0 BDADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000247230221 359203284 /nfs/dbraw/zinc/20/32/84/359203284.db2.gz MQKBAHHTLRKAHZ-CHWSQXEVSA-N 2 1 226.364 1.439 20 0 BDADMP COCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248177354 359258004 /nfs/dbraw/zinc/25/80/04/359258004.db2.gz VVVOQGMOJMVPQU-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248177354 359258008 /nfs/dbraw/zinc/25/80/08/359258008.db2.gz VVVOQGMOJMVPQU-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248177354 359258012 /nfs/dbraw/zinc/25/80/12/359258012.db2.gz VVVOQGMOJMVPQU-NWDGAFQWSA-N 2 1 212.337 1.049 20 0 BDADMP N[C@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423415256 192749331 /nfs/dbraw/zinc/74/93/31/192749331.db2.gz AKDNJIBSLQVRKF-ZDEQEGDKSA-N 2 1 225.380 1.221 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623452101 359349438 /nfs/dbraw/zinc/34/94/38/359349438.db2.gz XKQFQRKOHAQLGL-LLVKDONJSA-N 2 1 226.364 1.628 20 0 BDADMP COCC1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623452101 359349444 /nfs/dbraw/zinc/34/94/44/359349444.db2.gz XKQFQRKOHAQLGL-LLVKDONJSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H]1CCOC1 ZINC000423505086 192797026 /nfs/dbraw/zinc/79/70/26/192797026.db2.gz HEPQYKVVIYAXRL-RDBSUJKOSA-N 2 1 240.391 1.909 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000379581136 359553913 /nfs/dbraw/zinc/55/39/13/359553913.db2.gz KFMASHHLPACFIR-GMTAPVOTSA-N 2 1 200.326 1.094 20 0 BDADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000379581136 359553916 /nfs/dbraw/zinc/55/39/16/359553916.db2.gz KFMASHHLPACFIR-GMTAPVOTSA-N 2 1 200.326 1.094 20 0 BDADMP C[C@@H]1C[C@H](NCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379652683 359574626 /nfs/dbraw/zinc/57/46/26/359574626.db2.gz XRHVHBKABIFHNC-UKRRQHHQSA-N 2 1 247.386 1.588 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000308992231 491142016 /nfs/dbraw/zinc/14/20/16/491142016.db2.gz LMPQKFWKZLQTBN-JTQLQIEISA-N 2 1 218.291 1.858 20 0 BDADMP C[C@@H]([N@@H+](C)CCN1CC[NH2+]CC1)C1(C)CC1 ZINC000087364882 359908281 /nfs/dbraw/zinc/90/82/81/359908281.db2.gz NAEFPQGHAIOFTL-GFCCVEGCSA-N 2 1 225.380 1.012 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)CC(C)(C)CO ZINC000451258908 202388090 /nfs/dbraw/zinc/38/80/90/202388090.db2.gz XAONSNOOQWYTDB-UHFFFAOYSA-N 2 1 230.396 1.669 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089139586 359992133 /nfs/dbraw/zinc/99/21/33/359992133.db2.gz OENQHAOQCVKYOV-ZIAGYGMSSA-N 3 1 241.423 1.825 20 0 BDADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089147960 359993757 /nfs/dbraw/zinc/99/37/57/359993757.db2.gz GJSFYLZRJJHUBJ-TZMCWYRMSA-N 3 1 239.407 1.578 20 0 BDADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)CC2CC2)CC1(C)C ZINC000623472213 360048202 /nfs/dbraw/zinc/04/82/02/360048202.db2.gz ILIUDPLBKDPTTP-CHWSQXEVSA-N 2 1 240.391 1.610 20 0 BDADMP CCn1cncc1C[NH2+]CCC[NH+]1CCCC1 ZINC000090169961 360061412 /nfs/dbraw/zinc/06/14/12/360061412.db2.gz QJVKLQRDPYOHJD-UHFFFAOYSA-N 2 1 236.363 1.479 20 0 BDADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000090799999 360088753 /nfs/dbraw/zinc/08/87/53/360088753.db2.gz HQKKGJKWHZXJBV-WTIISPKJSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000090799999 360088756 /nfs/dbraw/zinc/08/87/56/360088756.db2.gz HQKKGJKWHZXJBV-WTIISPKJSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000090800000 360089352 /nfs/dbraw/zinc/08/93/52/360089352.db2.gz HQKKGJKWHZXJBV-XVSSEFHLSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000090800000 360089354 /nfs/dbraw/zinc/08/93/54/360089354.db2.gz HQKKGJKWHZXJBV-XVSSEFHLSA-N 2 1 226.364 1.220 20 0 BDADMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000082584218 491149297 /nfs/dbraw/zinc/14/92/97/491149297.db2.gz UEJIEOJZOVMIMC-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CC[NH2+][C@H](C)C[NH2+]CCC(C)(C)C(=O)OC ZINC000414938553 200784073 /nfs/dbraw/zinc/78/40/73/200784073.db2.gz DANJOPVHXJYGMY-SNVBAGLBSA-N 2 1 230.352 1.163 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156249686 360956284 /nfs/dbraw/zinc/95/62/84/360956284.db2.gz QYHZUSHVHKXLRS-QJPTWQEYSA-N 2 1 214.353 1.484 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156249686 360956288 /nfs/dbraw/zinc/95/62/88/360956288.db2.gz QYHZUSHVHKXLRS-QJPTWQEYSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)CC[N@@H+]1C ZINC000156279618 360960992 /nfs/dbraw/zinc/96/09/92/360960992.db2.gz VRXIGMVXZWRJLO-GRYCIOLGSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)CC[N@H+]1C ZINC000156279618 360960995 /nfs/dbraw/zinc/96/09/95/360960995.db2.gz VRXIGMVXZWRJLO-GRYCIOLGSA-N 2 1 212.337 1.238 20 0 BDADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000629388335 361039816 /nfs/dbraw/zinc/03/98/16/361039816.db2.gz MWGLVLGJINWPJN-XDQVBPFNSA-N 2 1 237.391 1.343 20 0 BDADMP C[C@@H](CCCC[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000629512526 361107505 /nfs/dbraw/zinc/10/75/05/361107505.db2.gz CRHBWPWWLQCXIE-NWDGAFQWSA-N 2 1 225.380 1.378 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629515950 361110338 /nfs/dbraw/zinc/11/03/38/361110338.db2.gz WQKCURUHOVFGIP-MRVWCRGKSA-N 2 1 240.391 1.861 20 0 BDADMP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OCC ZINC000629514990 361112928 /nfs/dbraw/zinc/11/29/28/361112928.db2.gz OIFTUPGVMQFOHJ-XQQFMLRXSA-N 2 1 228.380 1.922 20 0 BDADMP CCC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OCC ZINC000629514985 361113064 /nfs/dbraw/zinc/11/30/64/361113064.db2.gz OIFTUPGVMQFOHJ-AVGNSLFASA-N 2 1 228.380 1.922 20 0 BDADMP CC(C)CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000629524576 361124162 /nfs/dbraw/zinc/12/41/62/361124162.db2.gz SSJWWGJOZXRLDB-UPJWGTAASA-N 2 1 228.380 1.514 20 0 BDADMP Cc1nocc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000631218867 361181865 /nfs/dbraw/zinc/18/18/65/361181865.db2.gz IYXYAANQEZHVEI-LBPRGKRZSA-N 2 1 237.347 1.945 20 0 BDADMP CCn1ccnc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622044909 370678135 /nfs/dbraw/zinc/67/81/35/370678135.db2.gz XNOKTBZWIZFLCW-UWVGGRQHSA-N 2 1 210.325 1.291 20 0 BDADMP CC[N@H+]1CC[C@H](NCC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000622045685 370679881 /nfs/dbraw/zinc/67/98/81/370679881.db2.gz OFNKNZHENGEGKZ-SRVKXCTJSA-N 2 1 213.369 1.044 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000622045685 370679885 /nfs/dbraw/zinc/67/98/85/370679885.db2.gz OFNKNZHENGEGKZ-SRVKXCTJSA-N 3 1 213.369 1.044 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000622045685 370679892 /nfs/dbraw/zinc/67/98/92/370679892.db2.gz OFNKNZHENGEGKZ-SRVKXCTJSA-N 3 1 213.369 1.044 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](C)(O)C1 ZINC000191804517 361366150 /nfs/dbraw/zinc/36/61/50/361366150.db2.gz VGCSBSRCDYPMNB-GFCCVEGCSA-N 2 1 214.353 1.175 20 0 BDADMP COCC(C)(C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000429258102 201084735 /nfs/dbraw/zinc/08/47/35/201084735.db2.gz VFKNAHSDKPAXKQ-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP COCC(C)(C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000429258102 201084736 /nfs/dbraw/zinc/08/47/36/201084736.db2.gz VFKNAHSDKPAXKQ-UHFFFAOYSA-N 2 1 239.363 1.938 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535903 361398001 /nfs/dbraw/zinc/39/80/01/361398001.db2.gz DHZNECDGRHYESE-UTUOFQBUSA-N 3 1 213.369 1.234 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309864588 491157659 /nfs/dbraw/zinc/15/76/59/491157659.db2.gz NYAWYFZFCLBZAK-QWHCGFSZSA-N 2 1 219.332 1.970 20 0 BDADMP C[C@H](O)CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429560505 201114424 /nfs/dbraw/zinc/11/44/24/201114424.db2.gz ZHVXYBQCALZFQP-QWHCGFSZSA-N 2 1 228.380 1.564 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629543536 361411322 /nfs/dbraw/zinc/41/13/22/361411322.db2.gz BHJDSNKUZWQSHZ-WHOHXGKFSA-N 2 1 226.364 1.530 20 0 BDADMP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000629545828 361426938 /nfs/dbraw/zinc/42/69/38/361426938.db2.gz CTINFGMDYXOXRH-PYJNHQTQSA-N 2 1 238.375 1.674 20 0 BDADMP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629547628 361431480 /nfs/dbraw/zinc/43/14/80/361431480.db2.gz LDPPJBZWODSUJB-ZBAXXZLZSA-N 2 1 224.348 1.284 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000629548536 361434304 /nfs/dbraw/zinc/43/43/04/361434304.db2.gz PTNUQWNZLLQLKZ-WUHRBBMRSA-N 2 1 225.380 1.057 20 0 BDADMP CCO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)C1CC1 ZINC000629550545 361443098 /nfs/dbraw/zinc/44/30/98/361443098.db2.gz ZEMIMVZAXGQMFV-RAIGVLPGSA-N 2 1 226.364 1.613 20 0 BDADMP CC(C)COCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000163293204 361445379 /nfs/dbraw/zinc/44/53/79/361445379.db2.gz PWUVZFLIQLMXJC-KGLIPLIRSA-N 2 1 242.407 1.979 20 0 BDADMP CC(C)COCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163293317 361445413 /nfs/dbraw/zinc/44/54/13/361445413.db2.gz PWUVZFLIQLMXJC-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP C[NH2+]CCOCC[N@@H+](C)Cc1ncccc1C ZINC000629572422 361463672 /nfs/dbraw/zinc/46/36/72/361463672.db2.gz SGEWJXJZGIUJTH-UHFFFAOYSA-N 2 1 237.347 1.058 20 0 BDADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381458100 361465145 /nfs/dbraw/zinc/46/51/45/361465145.db2.gz IYYVSAOLVFTWMG-NSHDSACASA-N 2 1 222.336 1.230 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000381458100 361465148 /nfs/dbraw/zinc/46/51/48/361465148.db2.gz IYYVSAOLVFTWMG-NSHDSACASA-N 2 1 222.336 1.230 20 0 BDADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])c(C)s1 ZINC000629578178 361465204 /nfs/dbraw/zinc/46/52/04/361465204.db2.gz HJZZQDULGVIQAZ-UHFFFAOYSA-N 2 1 242.388 1.772 20 0 BDADMP FCC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000629580698 361469108 /nfs/dbraw/zinc/46/91/08/361469108.db2.gz DRCLVUXNQXSOAO-ZDUSSCGKSA-N 2 1 244.354 1.437 20 0 BDADMP CO[C@@H](C[N@@H+](C)CCOCC[NH3+])C1CCCC1 ZINC000629581202 361471524 /nfs/dbraw/zinc/47/15/24/361471524.db2.gz RHAYYCRHZQCGEL-ZDUSSCGKSA-N 2 1 244.379 1.099 20 0 BDADMP C/C=C/C[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000629595550 361481852 /nfs/dbraw/zinc/48/18/52/361481852.db2.gz SCWMEBMKVUNXFC-IBUXWKBASA-N 2 1 226.364 1.640 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCCC(F)(F)CC1 ZINC000629558167 361453086 /nfs/dbraw/zinc/45/30/86/361453086.db2.gz CGWVMCFPOZVPAH-UHFFFAOYSA-N 2 1 222.279 1.083 20 0 BDADMP [NH3+]C[C@@H]1C[N@@H+](CCCF)CC[C@H]1C(F)(F)F ZINC000629563363 361454598 /nfs/dbraw/zinc/45/45/98/361454598.db2.gz PKVORAMNVJSYNI-RKDXNWHRSA-N 2 1 242.260 1.805 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1=CCCOC1 ZINC000629646806 361535283 /nfs/dbraw/zinc/53/52/83/361535283.db2.gz FDQRENKHNGAKRU-CMPLNLGQSA-N 2 1 210.321 1.002 20 0 BDADMP COCCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152407825 201197299 /nfs/dbraw/zinc/19/72/99/201197299.db2.gz GMXVEPPFVIKQBT-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP COCCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152407825 201197301 /nfs/dbraw/zinc/19/73/01/201197301.db2.gz GMXVEPPFVIKQBT-CYBMUJFWSA-N 2 1 228.380 1.687 20 0 BDADMP C[NH2+]CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000629647617 361538005 /nfs/dbraw/zinc/53/80/05/361538005.db2.gz BMPXPKPZMWIBEC-UHFFFAOYSA-N 2 1 232.327 1.662 20 0 BDADMP [NH3+]C1(C[NH2+]CC2=Cc3ccccc3OC2)CCC1 ZINC000629647746 361538137 /nfs/dbraw/zinc/53/81/37/361538137.db2.gz HJIDYLYUXMHDJA-UHFFFAOYSA-N 2 1 244.338 1.933 20 0 BDADMP C[C@H]([NH3+])[C@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000629649055 361543311 /nfs/dbraw/zinc/54/33/11/361543311.db2.gz GNYOCHDYZFVCRE-QWRGUYRKSA-N 2 1 232.327 1.788 20 0 BDADMP C[C@H]1CCC[N@@H+](CC2=CCCOC2)[C@H]1CC[NH3+] ZINC000629650554 361547517 /nfs/dbraw/zinc/54/75/17/361547517.db2.gz VYTGZDOGCHKYDS-JSGCOSHPSA-N 2 1 238.375 1.782 20 0 BDADMP Cc1cnccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000629650624 361547867 /nfs/dbraw/zinc/54/78/67/361547867.db2.gz YDXNCWIFGNFGGR-UHFFFAOYSA-N 2 1 219.332 1.751 20 0 BDADMP CCC[N@@H+](CC1=CCCOC1)C1CC[NH2+]CC1 ZINC000629652043 361549683 /nfs/dbraw/zinc/54/96/83/361549683.db2.gz UFZJLYXLRPTZDD-UHFFFAOYSA-N 2 1 238.375 1.797 20 0 BDADMP Cn1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000629653323 361553329 /nfs/dbraw/zinc/55/33/29/361553329.db2.gz ICYWWEMGNWISNW-GFCCVEGCSA-N 2 1 221.348 1.586 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000629651453 361556922 /nfs/dbraw/zinc/55/69/22/361556922.db2.gz GOWXTRKZZCFJAY-NSHDSACASA-N 2 1 207.321 1.066 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629651820 361557042 /nfs/dbraw/zinc/55/70/42/361557042.db2.gz KSTXVHOUUANYMK-DGCLKSJQSA-N 2 1 224.348 1.392 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC[C@H]1CCOC1)C2 ZINC000629661596 361594428 /nfs/dbraw/zinc/59/44/28/361594428.db2.gz BMXQGJDEHFWWKR-MELADBBJSA-N 2 1 238.375 1.344 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1coc2ccccc12 ZINC000629664831 361596896 /nfs/dbraw/zinc/59/68/96/361596896.db2.gz SCWGBZDWOYXCPU-UHFFFAOYSA-N 2 1 248.326 1.840 20 0 BDADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC1=CCCOC1)C2 ZINC000629666871 361588869 /nfs/dbraw/zinc/58/88/69/361588869.db2.gz OLODDTWZMBYAOH-OKILXGFUSA-N 2 1 236.359 1.265 20 0 BDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cn[nH]c1 ZINC000448552722 201244741 /nfs/dbraw/zinc/24/47/41/201244741.db2.gz AWQPYNIAZSKQHJ-VIFPVBQESA-N 2 1 208.309 1.202 20 0 BDADMP CC[N@@H+](CCOC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623106 201279198 /nfs/dbraw/zinc/27/91/98/201279198.db2.gz BUNRMZFTNRJROX-ZDUSSCGKSA-N 2 1 228.380 1.875 20 0 BDADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437107528 201344387 /nfs/dbraw/zinc/34/43/87/201344387.db2.gz PPPWGUYDTXOXFT-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437107528 201344390 /nfs/dbraw/zinc/34/43/90/201344390.db2.gz PPPWGUYDTXOXFT-OLZOCXBDSA-N 2 1 239.407 1.401 20 0 BDADMP C[N@@H+](CC[C@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000437589852 201359201 /nfs/dbraw/zinc/35/92/01/201359201.db2.gz LBNRVCKJASMIDI-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC[C@H]1CCOC1)C[C@H]1CCC[N@H+](C)C1 ZINC000437589852 201359203 /nfs/dbraw/zinc/35/92/03/201359203.db2.gz LBNRVCKJASMIDI-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP C[NH+](CC[C@H]1CCOC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000437589852 201359207 /nfs/dbraw/zinc/35/92/07/201359207.db2.gz LBNRVCKJASMIDI-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC000438090049 201387981 /nfs/dbraw/zinc/38/79/81/201387981.db2.gz ACUGZUOHKYGAMX-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000438090049 201387984 /nfs/dbraw/zinc/38/79/84/201387984.db2.gz ACUGZUOHKYGAMX-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438090049 201387986 /nfs/dbraw/zinc/38/79/86/201387986.db2.gz ACUGZUOHKYGAMX-KBPBESRZSA-N 2 1 240.391 1.687 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000328263985 363871410 /nfs/dbraw/zinc/87/14/10/363871410.db2.gz SRLONQARLCRWIM-LBPRGKRZSA-N 2 1 228.380 1.874 20 0 BDADMP CCc1nc(N[C@@H]2CC[NH2+][C@H]2CC)cc(C)[nH+]1 ZINC000630528921 364215884 /nfs/dbraw/zinc/21/58/84/364215884.db2.gz OPPQVCROZCYHHZ-WDEREUQCSA-N 2 1 234.347 1.322 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)CC[N@@H+]1C ZINC000246561903 364602639 /nfs/dbraw/zinc/60/26/39/364602639.db2.gz XFAPHODHPWZOMX-JHJVBQTASA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)CC[N@H+]1C ZINC000246561903 364602644 /nfs/dbraw/zinc/60/26/44/364602644.db2.gz XFAPHODHPWZOMX-JHJVBQTASA-N 2 1 242.407 1.856 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000328518996 364862956 /nfs/dbraw/zinc/86/29/56/364862956.db2.gz QUWOFLBYMHDDDO-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000328518996 364862959 /nfs/dbraw/zinc/86/29/59/364862959.db2.gz QUWOFLBYMHDDDO-FRRDWIJNSA-N 2 1 226.364 1.221 20 0 BDADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC)CC2)C1 ZINC000336896601 364841845 /nfs/dbraw/zinc/84/18/45/364841845.db2.gz ODHGUKWVKYAIKN-ZDUSSCGKSA-N 2 1 225.380 1.155 20 0 BDADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000573570873 364864638 /nfs/dbraw/zinc/86/46/38/364864638.db2.gz NGGRZGOCPKHKIK-NWDGAFQWSA-N 2 1 246.420 1.030 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(CC)C1 ZINC000573574293 364866072 /nfs/dbraw/zinc/86/60/72/364866072.db2.gz QXCKUYGKNICCPR-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(CC)C1 ZINC000573574293 364866076 /nfs/dbraw/zinc/86/60/76/364866076.db2.gz QXCKUYGKNICCPR-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(CC)C1 ZINC000573574293 364866078 /nfs/dbraw/zinc/86/60/78/364866078.db2.gz QXCKUYGKNICCPR-UONOGXRCSA-N 2 1 242.407 1.811 20 0 BDADMP CCC1CC([NH2+]CCC[N@@H+](C)CCOC)C1 ZINC000336737736 541407127 /nfs/dbraw/zinc/40/71/27/541407127.db2.gz NUFJKEYUFFLYJE-UHFFFAOYSA-N 2 1 228.380 1.733 20 0 BDADMP [NH3+]CCCC[N@H+]1CCc2sccc2C1 ZINC000020072133 181375953 /nfs/dbraw/zinc/37/59/53/181375953.db2.gz GYIYBZJXVQOJGC-UHFFFAOYSA-N 2 1 210.346 1.845 20 0 BDADMP [NH3+]CCC[N@H+](Cc1ccccn1)C1CC1 ZINC000036732075 181379273 /nfs/dbraw/zinc/37/92/73/181379273.db2.gz QZJRYYLSRWCUHC-UHFFFAOYSA-N 2 1 205.305 1.395 20 0 BDADMP [NH3+]CCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000036732075 181379276 /nfs/dbraw/zinc/37/92/76/181379276.db2.gz QZJRYYLSRWCUHC-UHFFFAOYSA-N 2 1 205.305 1.395 20 0 BDADMP CC[NH+]1CCC(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000574188351 365006919 /nfs/dbraw/zinc/00/69/19/365006919.db2.gz BBJVXDOILGNKQP-OCCSQVGLSA-N 3 1 239.407 1.306 20 0 BDADMP [NH3+]CCCN1CC[NH+](Cc2cccs2)CC1 ZINC000019933697 181380778 /nfs/dbraw/zinc/38/07/78/181380778.db2.gz UPZSOKZVYJIXEZ-UHFFFAOYSA-N 2 1 239.388 1.215 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000442928009 193005558 /nfs/dbraw/zinc/00/55/58/193005558.db2.gz PAWYIXSTWLJVJQ-CHWSQXEVSA-N 2 1 225.380 1.047 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000575935032 365421718 /nfs/dbraw/zinc/42/17/18/365421718.db2.gz CNVSHRBEBNEZMW-GMTAPVOTSA-N 2 1 234.347 1.127 20 0 BDADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000180017121 541506126 /nfs/dbraw/zinc/50/61/26/541506126.db2.gz JRWQMJCXTZTKKW-NSHDSACASA-N 2 1 236.363 1.855 20 0 BDADMP C[C@]1(CO)CCC[N@H+]1Cc1cccc2nccn21 ZINC000580024273 367133008 /nfs/dbraw/zinc/13/30/08/367133008.db2.gz QPHOPKARHKLGAP-CQSZACIVSA-N 2 1 245.326 1.681 20 0 BDADMP C[C@@]1(CO)CCC[N@H+]1Cc1cccc2nccn21 ZINC000580024272 367133595 /nfs/dbraw/zinc/13/35/95/367133595.db2.gz QPHOPKARHKLGAP-AWEZNQCLSA-N 2 1 245.326 1.681 20 0 BDADMP COCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702393 367140783 /nfs/dbraw/zinc/14/07/83/367140783.db2.gz ZRNOQLKCFAGNSP-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(F)c1F ZINC000579928561 367085943 /nfs/dbraw/zinc/08/59/43/367085943.db2.gz NHKDNNXFJWMJFV-SECBINFHSA-N 2 1 228.286 1.910 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000580963631 367220890 /nfs/dbraw/zinc/22/08/90/367220890.db2.gz VDDQLHKLHWDXDE-CHWSQXEVSA-N 3 1 236.363 1.441 20 0 BDADMP CC[C@@H]1C[N@@H+](C)CCN1c1ncnc2[nH]ccc21 ZINC000581323058 367349012 /nfs/dbraw/zinc/34/90/12/367349012.db2.gz PUWDBVQBKVHVNQ-SNVBAGLBSA-N 2 1 245.330 1.488 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000381199511 367362865 /nfs/dbraw/zinc/36/28/65/367362865.db2.gz ATJRVYKMEZLMFT-QWHCGFSZSA-N 2 1 226.364 1.077 20 0 BDADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000381199511 367362870 /nfs/dbraw/zinc/36/28/70/367362870.db2.gz ATJRVYKMEZLMFT-QWHCGFSZSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000381552286 367430200 /nfs/dbraw/zinc/43/02/00/367430200.db2.gz NFVYCKYHUCOVHA-MDZLAQPJSA-N 2 1 225.380 1.009 20 0 BDADMP C[C@@H](C[NH+](C)C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000381552286 367430203 /nfs/dbraw/zinc/43/02/03/367430203.db2.gz NFVYCKYHUCOVHA-MDZLAQPJSA-N 2 1 225.380 1.009 20 0 BDADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000383798363 367654314 /nfs/dbraw/zinc/65/43/14/367654314.db2.gz SIHVWUUUMVXDDM-YPMHNXCESA-N 2 1 240.391 1.610 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000383798363 367654315 /nfs/dbraw/zinc/65/43/15/367654315.db2.gz SIHVWUUUMVXDDM-YPMHNXCESA-N 2 1 240.391 1.610 20 0 BDADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCCO1 ZINC000383971677 367665504 /nfs/dbraw/zinc/66/55/04/367665504.db2.gz IQLSLQLDKYJJBJ-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000384108841 367672057 /nfs/dbraw/zinc/67/20/57/367672057.db2.gz GTUAPJCGWQRLHO-UKRRQHHQSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000384108841 367672062 /nfs/dbraw/zinc/67/20/62/367672062.db2.gz GTUAPJCGWQRLHO-UKRRQHHQSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000384108848 367672375 /nfs/dbraw/zinc/67/23/75/367672375.db2.gz GTUAPJCGWQRLHO-ZFWWWQNUSA-N 2 1 248.370 1.872 20 0 BDADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000384108848 367672378 /nfs/dbraw/zinc/67/23/78/367672378.db2.gz GTUAPJCGWQRLHO-ZFWWWQNUSA-N 2 1 248.370 1.872 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000384179735 367674276 /nfs/dbraw/zinc/67/42/76/367674276.db2.gz YZDDZPNFGMZSRS-CLRIEMFWSA-N 2 1 240.391 1.467 20 0 BDADMP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC000399176049 367851860 /nfs/dbraw/zinc/85/18/60/367851860.db2.gz JUMAUHPUENDMIB-MQYQWHSLSA-N 2 1 237.391 1.343 20 0 BDADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000566219094 326016612 /nfs/dbraw/zinc/01/66/12/326016612.db2.gz ALNNJYIWEUISRO-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOCC2)C[NH2+]1 ZINC000399219215 367908034 /nfs/dbraw/zinc/90/80/34/367908034.db2.gz JZQWGZSWKVCCEK-WOPDTQHZSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000566229874 326018948 /nfs/dbraw/zinc/01/89/48/326018948.db2.gz QSQAAPSRKBAXPC-PDWCTOEPSA-N 3 1 239.407 1.623 20 0 BDADMP CC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386027231 367900405 /nfs/dbraw/zinc/90/04/05/367900405.db2.gz QAVVDMFQRATZKP-BFHYXJOUSA-N 2 1 239.407 1.448 20 0 BDADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000566219096 326016184 /nfs/dbraw/zinc/01/61/84/326016184.db2.gz ALNNJYIWEUISRO-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386610917 368002309 /nfs/dbraw/zinc/00/23/09/368002309.db2.gz WOUGKWFUTXMSSK-UPJWGTAASA-N 2 1 228.380 1.658 20 0 BDADMP CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386578037 367995342 /nfs/dbraw/zinc/99/53/42/367995342.db2.gz NUYNRRZHETVVHQ-UTUOFQBUSA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H](C[N@@H+](C)CCOCC[NH3+])C(C)(C)C ZINC000399731357 368530038 /nfs/dbraw/zinc/53/00/38/368530038.db2.gz LZCUJKPBRMDLJY-NSHDSACASA-N 2 1 216.369 1.576 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086401976 368879978 /nfs/dbraw/zinc/87/99/78/368879978.db2.gz KVQMFPHRLKEOEL-OLZOCXBDSA-N 3 1 227.396 1.578 20 0 BDADMP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086401974 368880007 /nfs/dbraw/zinc/88/00/07/368880007.db2.gz KVQMFPHRLKEOEL-STQMWFEESA-N 3 1 227.396 1.578 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CCO[C@@H]1C ZINC000631820797 368968831 /nfs/dbraw/zinc/96/88/31/368968831.db2.gz GKJVSFFYYJKHGV-RNJOBUHISA-N 2 1 226.364 1.613 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623808718 368953910 /nfs/dbraw/zinc/95/39/10/368953910.db2.gz ALDXNUPTUNRCHO-FDYHWXHSSA-N 2 1 224.348 1.380 20 0 BDADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623808720 368954050 /nfs/dbraw/zinc/95/40/50/368954050.db2.gz ALDXNUPTUNRCHO-RVMXOQNASA-N 2 1 224.348 1.380 20 0 BDADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657770 368998903 /nfs/dbraw/zinc/99/89/03/368998903.db2.gz YRGAZRNQCVHIRL-BFHYXJOUSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657682 368999791 /nfs/dbraw/zinc/99/97/91/368999791.db2.gz WNNUXEHPIZMDFU-AGIUHOORSA-N 2 1 226.364 1.485 20 0 BDADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000623655766 368991363 /nfs/dbraw/zinc/99/13/63/368991363.db2.gz DXWOOGCLKVTGBV-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000623655766 368991364 /nfs/dbraw/zinc/99/13/64/368991364.db2.gz DXWOOGCLKVTGBV-NSHDSACASA-N 2 1 222.336 1.231 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C[NH3+] ZINC000631836573 369077707 /nfs/dbraw/zinc/07/77/07/369077707.db2.gz BRMDMPLBFBSPFJ-XGFWRYKXSA-N 2 1 222.376 1.949 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccccn2)C[C@H]1C[NH3+] ZINC000631840466 369250036 /nfs/dbraw/zinc/25/00/36/369250036.db2.gz SPYQNDBJQUSXSG-WDEREUQCSA-N 2 1 205.305 1.108 20 0 BDADMP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)no1 ZINC000459382486 203271678 /nfs/dbraw/zinc/27/16/78/203271678.db2.gz FGHTVJQVGTWEJG-SNVBAGLBSA-N 2 1 248.330 1.914 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000459344495 203265964 /nfs/dbraw/zinc/26/59/64/203265964.db2.gz NRXPSPZMEAAWKT-GFCCVEGCSA-N 2 1 221.348 1.941 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000459381993 203271020 /nfs/dbraw/zinc/27/10/20/203271020.db2.gz DSEPGZQTUUABNF-LBPRGKRZSA-N 2 1 239.363 1.349 20 0 BDADMP CC[C@@H](C)[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459436558 203280978 /nfs/dbraw/zinc/28/09/78/203280978.db2.gz XKQHVHXHRMCHBF-BXUZGUMPSA-N 2 1 240.391 1.610 20 0 BDADMP CCOC[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000459452931 203283111 /nfs/dbraw/zinc/28/31/11/203283111.db2.gz BZULMDAXQGSYHP-ZDUSSCGKSA-N 2 1 239.363 1.613 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000459631823 203323862 /nfs/dbraw/zinc/32/38/62/203323862.db2.gz KSEZDVZKHZGETA-IGQOVBAYSA-N 2 1 238.375 1.770 20 0 BDADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC2)C1 ZINC000459729275 203345462 /nfs/dbraw/zinc/34/54/62/203345462.db2.gz IWQPXXKRRPNWGL-VXGBXAGGSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459734131 203348248 /nfs/dbraw/zinc/34/82/48/203348248.db2.gz OEQKSSDJLCEKOY-AVGNSLFASA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@H](COC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459779630 203365846 /nfs/dbraw/zinc/36/58/46/203365846.db2.gz LLLNEIVVSCZMHG-QWHCGFSZSA-N 2 1 228.380 1.733 20 0 BDADMP Cn1cccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459746174 203351594 /nfs/dbraw/zinc/35/15/94/203351594.db2.gz ZAKHOBRLJRPYIG-ZDUSSCGKSA-N 2 1 235.375 1.847 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459791003 203369838 /nfs/dbraw/zinc/36/98/38/203369838.db2.gz RLCMJZKPQSGMOW-FRRDWIJNSA-N 2 1 210.365 1.964 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H](C)O1 ZINC000459794381 203370881 /nfs/dbraw/zinc/37/08/81/203370881.db2.gz UOBFMHDCYBNBQL-RQJABVFESA-N 2 1 240.391 1.874 20 0 BDADMP Cc1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cnn1C ZINC000252854468 370136486 /nfs/dbraw/zinc/13/64/86/370136486.db2.gz JTXDQJSPTCCSSA-UBHSHLNASA-N 2 1 248.374 1.288 20 0 BDADMP c1cc(CCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)ccn1 ZINC000631867439 370229575 /nfs/dbraw/zinc/22/95/75/370229575.db2.gz UWJAWHBBCCTGPK-CABCVRRESA-N 2 1 245.370 1.746 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCC[C@@H]21 ZINC000310460607 370346993 /nfs/dbraw/zinc/34/69/93/370346993.db2.gz ASHDJBKEEVROGI-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCC[C@@H]21 ZINC000310460607 370346996 /nfs/dbraw/zinc/34/69/96/370346996.db2.gz ASHDJBKEEVROGI-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000310460607 370346998 /nfs/dbraw/zinc/34/69/98/370346998.db2.gz ASHDJBKEEVROGI-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000310460607 370347001 /nfs/dbraw/zinc/34/70/01/370347001.db2.gz ASHDJBKEEVROGI-IHRRRGAJSA-N 2 1 240.391 1.564 20 0 BDADMP CCn1nccc1CC[NH+]1CCC([NH2+]C)CC1 ZINC000621774142 370519617 /nfs/dbraw/zinc/51/96/17/370519617.db2.gz LMNOKXCYKIDVEZ-UHFFFAOYSA-N 2 1 236.363 1.129 20 0 BDADMP CCn1cc(CC[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000621775194 370521531 /nfs/dbraw/zinc/52/15/31/370521531.db2.gz IMSXTTMSEOWMLI-CYBMUJFWSA-N 2 1 236.363 1.116 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000621775293 370523075 /nfs/dbraw/zinc/52/30/75/370523075.db2.gz LBEUEAMZUARWOA-CYBMUJFWSA-N 2 1 233.359 1.951 20 0 BDADMP CCn1nccc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000621775834 370523282 /nfs/dbraw/zinc/52/32/82/370523282.db2.gz ZWFPZYMXQPXLBX-OCCSQVGLSA-N 2 1 248.374 1.129 20 0 BDADMP CCn1nccc1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000621775834 370523286 /nfs/dbraw/zinc/52/32/86/370523286.db2.gz ZWFPZYMXQPXLBX-OCCSQVGLSA-N 2 1 248.374 1.129 20 0 BDADMP CC(C)CCOCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783187 370532138 /nfs/dbraw/zinc/53/21/38/370532138.db2.gz YGCMPMDBPDFOJQ-ZIAGYGMSSA-N 2 1 240.391 1.862 20 0 BDADMP CC(C)CCOCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783187 370532142 /nfs/dbraw/zinc/53/21/42/370532142.db2.gz YGCMPMDBPDFOJQ-ZIAGYGMSSA-N 2 1 240.391 1.862 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCc1cccnc1)C2 ZINC000621782978 370532793 /nfs/dbraw/zinc/53/27/93/370532793.db2.gz VMCMJXMVDNNZID-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCc1cccnc1)C2 ZINC000621782978 370532797 /nfs/dbraw/zinc/53/27/97/370532797.db2.gz VMCMJXMVDNNZID-ZIAGYGMSSA-N 2 1 231.343 1.437 20 0 BDADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCCO1)C2 ZINC000621784125 370535756 /nfs/dbraw/zinc/53/57/56/370535756.db2.gz KHLZEESPXFLSRY-XQQFMLRXSA-N 2 1 224.348 1.369 20 0 BDADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631050213 371097046 /nfs/dbraw/zinc/09/70/46/371097046.db2.gz VVYDGMRDHOWWBK-CYBMUJFWSA-N 2 1 249.358 1.609 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000624122014 371322783 /nfs/dbraw/zinc/32/27/83/371322783.db2.gz ICDZMPQIUZSIAB-UONOGXRCSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000624122410 371322948 /nfs/dbraw/zinc/32/29/48/371322948.db2.gz QQXBFASUGHHXRZ-IHRRRGAJSA-N 2 1 240.391 1.875 20 0 BDADMP CCCC[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000624217518 371405307 /nfs/dbraw/zinc/40/53/07/371405307.db2.gz WDLBQBXTHRBSNU-UHFFFAOYSA-N 2 1 236.363 1.764 20 0 BDADMP Cc1cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)ccn1 ZINC000304627108 371803763 /nfs/dbraw/zinc/80/37/63/371803763.db2.gz UYSYITWYCOANNK-ZDUSSCGKSA-N 2 1 221.348 1.853 20 0 BDADMP Cn1ccc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000401728064 371806302 /nfs/dbraw/zinc/80/63/02/371806302.db2.gz SBYVQYDTMGXSHB-UHFFFAOYSA-N 2 1 218.304 1.091 20 0 BDADMP CCC[N@H+](Cc1nccnc1C)C1CC[NH2+]CC1 ZINC000631823072 372600899 /nfs/dbraw/zinc/60/08/99/372600899.db2.gz VRDCMRUVZCNWKV-UHFFFAOYSA-N 2 1 248.374 1.749 20 0 BDADMP CCC[N@@H+](Cc1nccnc1C)C1CC[NH2+]CC1 ZINC000631823072 372600903 /nfs/dbraw/zinc/60/09/03/372600903.db2.gz VRDCMRUVZCNWKV-UHFFFAOYSA-N 2 1 248.374 1.749 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631823672 372587560 /nfs/dbraw/zinc/58/75/60/372587560.db2.gz KVZDCBNOLPCBEC-YFKTTZPYSA-N 2 1 212.337 1.081 20 0 BDADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC000631821012 372595822 /nfs/dbraw/zinc/59/58/22/372595822.db2.gz MLDQVKCRWJKIMO-CYBMUJFWSA-N 2 1 233.359 1.787 20 0 BDADMP C[N@@H+](CCC[NH3+])Cc1cccc2c1CCOC2 ZINC000631821891 372597385 /nfs/dbraw/zinc/59/73/85/372597385.db2.gz MGLMUGCBQUKBAT-UHFFFAOYSA-N 2 1 234.343 1.540 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000631827980 372609377 /nfs/dbraw/zinc/60/93/77/372609377.db2.gz BHTGVOBNCRJMJN-BJJPWKGXSA-N 2 1 240.391 1.717 20 0 BDADMP N[C@H]1CCCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000631834054 372619128 /nfs/dbraw/zinc/61/91/28/372619128.db2.gz NUDNSFAPILJSJK-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+][C@H]1CCCCCN(C[C@@H]2CCOC2)C1 ZINC000631834054 372619131 /nfs/dbraw/zinc/61/91/31/372619131.db2.gz NUDNSFAPILJSJK-RYUDHWBXSA-N 2 1 212.337 1.226 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837458 372627883 /nfs/dbraw/zinc/62/78/83/372627883.db2.gz SLRPOPNZUSZDBJ-WCQYABFASA-N 2 1 219.332 1.417 20 0 BDADMP Cc1cncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631837125 372627934 /nfs/dbraw/zinc/62/79/34/372627934.db2.gz NCBNXNJQVQHGSW-DGCLKSJQSA-N 2 1 219.332 1.417 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000631838426 372632245 /nfs/dbraw/zinc/63/22/45/372632245.db2.gz OAIUVJNHVBPYEO-PSASIEDQSA-N 2 1 225.361 1.478 20 0 BDADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000631842404 372641532 /nfs/dbraw/zinc/64/15/32/372641532.db2.gz ZYRYLCZVTVMORK-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000631842404 372641537 /nfs/dbraw/zinc/64/15/37/372641537.db2.gz ZYRYLCZVTVMORK-MWLCHTKSSA-N 2 1 240.297 1.991 20 0 BDADMP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826348 372605942 /nfs/dbraw/zinc/60/59/42/372605942.db2.gz LJBNANBEKHBWLU-MQYQWHSLSA-N 2 1 238.375 1.343 20 0 BDADMP C([C@@H]1CCOC1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886540 372681600 /nfs/dbraw/zinc/68/16/00/372681600.db2.gz IKRNQHOMDJGIBE-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886540 372681605 /nfs/dbraw/zinc/68/16/05/372681605.db2.gz IKRNQHOMDJGIBE-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP COCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888681 372683011 /nfs/dbraw/zinc/68/30/11/372683011.db2.gz YTWMZQUCGUCXQA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP COCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888681 372683016 /nfs/dbraw/zinc/68/30/16/372683016.db2.gz YTWMZQUCGUCXQA-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889595 372685125 /nfs/dbraw/zinc/68/51/25/372685125.db2.gz IAJHASGRQBHRHL-YVECIDJPSA-N 2 1 208.349 1.716 20 0 BDADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889595 372685131 /nfs/dbraw/zinc/68/51/31/372685131.db2.gz IAJHASGRQBHRHL-YVECIDJPSA-N 2 1 208.349 1.716 20 0 BDADMP Nc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889694 372685194 /nfs/dbraw/zinc/68/51/94/372685194.db2.gz LOZCJTGBPAKXPT-ZFWWWQNUSA-N 2 1 245.370 1.843 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCO)[C@@H](C)C1 ZINC000304429106 170018892 /nfs/dbraw/zinc/01/88/92/170018892.db2.gz MBOCNAUSLMOGIJ-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCCO)[C@@H](C)C1 ZINC000304429106 170018890 /nfs/dbraw/zinc/01/88/90/170018890.db2.gz MBOCNAUSLMOGIJ-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCCO)[C@@H](C)C1 ZINC000304429106 170018891 /nfs/dbraw/zinc/01/88/91/170018891.db2.gz MBOCNAUSLMOGIJ-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000193815599 206022619 /nfs/dbraw/zinc/02/26/19/206022619.db2.gz LYYBHGTXPHINNL-GHMZBOCLSA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cnn(C)c1 ZINC000424369457 206038864 /nfs/dbraw/zinc/03/88/64/206038864.db2.gz BVFVMJKHHBFLRX-YUSALJHKSA-N 2 1 222.336 1.341 20 0 BDADMP CC(C)[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000167721076 206146959 /nfs/dbraw/zinc/14/69/59/206146959.db2.gz WIQWJONNCCXECK-LBPRGKRZSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000167721521 206147884 /nfs/dbraw/zinc/14/78/84/206147884.db2.gz WNJWMHKEXONYRM-NSHDSACASA-N 2 1 214.353 1.485 20 0 BDADMP CCOC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178973567 134313961 /nfs/dbraw/zinc/31/39/61/134313961.db2.gz OOIONAVOTFADRX-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP CCOCCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000336769172 170382866 /nfs/dbraw/zinc/38/28/66/170382866.db2.gz VINUGJQDBSSFKU-LLVKDONJSA-N 2 1 200.326 1.130 20 0 BDADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000352380133 169071852 /nfs/dbraw/zinc/07/18/52/169071852.db2.gz GWOKFDXFJZTBFM-GFCCVEGCSA-N 2 1 243.395 1.175 20 0 BDADMP c1[nH]nc2c1[C@@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000367614764 183320668 /nfs/dbraw/zinc/32/06/68/183320668.db2.gz IHNQGROEMNXQSL-ZDUSSCGKSA-N 2 1 248.374 1.863 20 0 BDADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000353973441 169197508 /nfs/dbraw/zinc/19/75/08/169197508.db2.gz PYBUBPNGHAQMNQ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000353973441 169197509 /nfs/dbraw/zinc/19/75/09/169197509.db2.gz PYBUBPNGHAQMNQ-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccn1 ZINC000035054380 183348021 /nfs/dbraw/zinc/34/80/21/183348021.db2.gz GKURLPQCIJOLJW-UHFFFAOYSA-N 2 1 231.343 1.798 20 0 BDADMP CC(C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183868739 134357031 /nfs/dbraw/zinc/35/70/31/134357031.db2.gz KDKAEMHYMARTSQ-WVMKXHBISA-N 2 1 226.364 1.218 20 0 BDADMP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000400177319 383826152 /nfs/dbraw/zinc/82/61/52/383826152.db2.gz PRDQSMFVPOPECY-JSGCOSHPSA-N 2 1 240.391 1.731 20 0 BDADMP CC(C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231337 383842394 /nfs/dbraw/zinc/84/23/94/383842394.db2.gz NFNJHDINANGKJK-AWEZNQCLSA-N 2 1 239.407 1.497 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CCC1CCCC1 ZINC000301052351 383880197 /nfs/dbraw/zinc/88/01/97/383880197.db2.gz VZIUPWRATGIXML-UHFFFAOYSA-N 2 1 214.353 1.474 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000087646121 383856457 /nfs/dbraw/zinc/85/64/57/383856457.db2.gz ZCDKIOIWCDFYKT-NEPJUHHUSA-N 2 1 219.332 1.732 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309312758 383870482 /nfs/dbraw/zinc/87/04/82/383870482.db2.gz FMRDEDTUDKXRNO-QWHCGFSZSA-N 3 1 229.412 1.822 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000309312758 383870486 /nfs/dbraw/zinc/87/04/86/383870486.db2.gz FMRDEDTUDKXRNO-QWHCGFSZSA-N 3 1 229.412 1.822 20 0 BDADMP Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000111716010 383876323 /nfs/dbraw/zinc/87/63/23/383876323.db2.gz GMLHJVCMILZDLF-PWSUYJOCSA-N 2 1 234.347 1.657 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000020439733 383878467 /nfs/dbraw/zinc/87/84/67/383878467.db2.gz OFQDHZMVJLQEKE-ZDUSSCGKSA-N 2 1 219.332 1.785 20 0 BDADMP c1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031993316 383905513 /nfs/dbraw/zinc/90/55/13/383905513.db2.gz GEIYMUUPANMKOQ-OAHLLOKOSA-N 2 1 246.354 1.751 20 0 BDADMP c1ncc(CNC[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000054767893 383978541 /nfs/dbraw/zinc/97/85/41/383978541.db2.gz FNFVKXIHHLKGLM-LLVKDONJSA-N 2 1 232.331 1.051 20 0 BDADMP c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000054767893 383978545 /nfs/dbraw/zinc/97/85/45/383978545.db2.gz FNFVKXIHHLKGLM-LLVKDONJSA-N 2 1 232.331 1.051 20 0 BDADMP c1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000054767893 383978549 /nfs/dbraw/zinc/97/85/49/383978549.db2.gz FNFVKXIHHLKGLM-LLVKDONJSA-N 2 1 232.331 1.051 20 0 BDADMP CCC[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000187691071 383979046 /nfs/dbraw/zinc/97/90/46/383979046.db2.gz DILLHJIDAGKYMU-ZDUSSCGKSA-N 2 1 242.407 1.954 20 0 BDADMP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000070558178 383941388 /nfs/dbraw/zinc/94/13/88/383941388.db2.gz MLPSMVRUFKLBJA-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000070558178 383941394 /nfs/dbraw/zinc/94/13/94/383941394.db2.gz MLPSMVRUFKLBJA-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CO1 ZINC000647217434 384037719 /nfs/dbraw/zinc/03/77/19/384037719.db2.gz QLBQEZWKHXXDGL-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP COc1ccc(CC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163173923 384069380 /nfs/dbraw/zinc/06/93/80/384069380.db2.gz UEDQHKLRBLINOO-TZMCWYRMSA-N 2 1 248.370 1.907 20 0 BDADMP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310250780 384104836 /nfs/dbraw/zinc/10/48/36/384104836.db2.gz KIASKEBFSJBVCT-GXTWGEPZSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401846946 384121029 /nfs/dbraw/zinc/12/10/29/384121029.db2.gz UUOLOCOEYLMSOH-AAGQIVHDSA-N 2 1 224.348 1.379 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CO1 ZINC000401846917 384121994 /nfs/dbraw/zinc/12/19/94/384121994.db2.gz BLUXDAQOEVPXJV-NDBYEHHHSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CO1 ZINC000401849821 384122281 /nfs/dbraw/zinc/12/22/81/384122281.db2.gz CIGPTHVGHQEWMC-YVECIDJPSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CO1 ZINC000401849821 384122287 /nfs/dbraw/zinc/12/22/87/384122287.db2.gz CIGPTHVGHQEWMC-YVECIDJPSA-N 2 1 224.348 1.380 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3(C)CC3)C2)C1 ZINC000560460588 384147531 /nfs/dbraw/zinc/14/75/31/384147531.db2.gz CGJAQDSPGYEVSS-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3(C)CC3)C2)C1 ZINC000560460588 384147535 /nfs/dbraw/zinc/14/75/35/384147535.db2.gz CGJAQDSPGYEVSS-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3(C)CC3)C2)C1 ZINC000560460588 384147537 /nfs/dbraw/zinc/14/75/37/384147537.db2.gz CGJAQDSPGYEVSS-CYBMUJFWSA-N 2 1 208.349 1.814 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000163205648 384164769 /nfs/dbraw/zinc/16/47/69/384164769.db2.gz UWJSIAYIXWCVSO-QWHCGFSZSA-N 2 1 234.343 1.735 20 0 BDADMP CC[C@@H]([NH3+])c1cn(CCCc2c[nH+]cn2C)nn1 ZINC000314642977 384198441 /nfs/dbraw/zinc/19/84/41/384198441.db2.gz FTIBHKVMZGJWNO-LLVKDONJSA-N 2 1 248.334 1.054 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CO1 ZINC000401908751 384247221 /nfs/dbraw/zinc/24/72/21/384247221.db2.gz VKNMIIGKXRZKHR-WOPDTQHZSA-N 2 1 212.337 1.095 20 0 BDADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000069626576 384247494 /nfs/dbraw/zinc/24/74/94/384247494.db2.gz BNGXQTPMSKCKFQ-GFCCVEGCSA-N 2 1 219.332 1.642 20 0 BDADMP C[NH+]1CCC([NH2+]CCc2cscn2)CC1 ZINC000082626208 384249528 /nfs/dbraw/zinc/24/95/28/384249528.db2.gz QQOGNPUFQNWSLC-UHFFFAOYSA-N 2 1 225.361 1.369 20 0 BDADMP CC(C)[N@@H+](C)CCNC(=O)CCCC[NH+](C)C ZINC000560601814 384251352 /nfs/dbraw/zinc/25/13/52/384251352.db2.gz IMINFUMTKUDJBK-UHFFFAOYSA-N 2 1 243.395 1.175 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000427973432 384258185 /nfs/dbraw/zinc/25/81/85/384258185.db2.gz QQBXGALIAWAKAU-OCCSQVGLSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)(C)O ZINC000309420957 384264057 /nfs/dbraw/zinc/26/40/57/384264057.db2.gz ZPFMIUXIBGRWIV-LBPRGKRZSA-N 2 1 228.380 1.466 20 0 BDADMP CCn1cc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000134528150 384268137 /nfs/dbraw/zinc/26/81/37/384268137.db2.gz SVPJGYVXJIWRHV-AAEUAGOBSA-N 2 1 236.363 1.333 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000134528150 384268146 /nfs/dbraw/zinc/26/81/46/384268146.db2.gz SVPJGYVXJIWRHV-AAEUAGOBSA-N 2 1 236.363 1.333 20 0 BDADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000134528150 384268153 /nfs/dbraw/zinc/26/81/53/384268153.db2.gz SVPJGYVXJIWRHV-AAEUAGOBSA-N 2 1 236.363 1.333 20 0 BDADMP CSCCC[N@@H+](C)CCCn1ccnc1 ZINC000119746984 384299421 /nfs/dbraw/zinc/29/94/21/384299421.db2.gz WBYKGHPVJLOTMF-UHFFFAOYSA-N 2 1 227.377 1.958 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000228860038 384345571 /nfs/dbraw/zinc/34/55/71/384345571.db2.gz WWAVGCQPHZEXHV-AAEUAGOBSA-N 2 1 219.332 1.559 20 0 BDADMP COCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308826696 384323253 /nfs/dbraw/zinc/32/32/53/384323253.db2.gz IBKBKLPQVKNHMK-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308826696 384323257 /nfs/dbraw/zinc/32/32/57/384323257.db2.gz IBKBKLPQVKNHMK-SRVKXCTJSA-N 2 1 212.337 1.095 20 0 BDADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc1 ZINC000647509087 384332578 /nfs/dbraw/zinc/33/25/78/384332578.db2.gz LKXXAINOAZDALL-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc1 ZINC000647509087 384332586 /nfs/dbraw/zinc/33/25/86/384332586.db2.gz LKXXAINOAZDALL-RYUDHWBXSA-N 2 1 249.358 1.649 20 0 BDADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cscn1 ZINC000084385498 384392626 /nfs/dbraw/zinc/39/26/26/384392626.db2.gz IIFNFZGQIAGJNB-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cscn1 ZINC000084385498 384392631 /nfs/dbraw/zinc/39/26/31/384392631.db2.gz IIFNFZGQIAGJNB-JTQLQIEISA-N 2 1 225.361 1.575 20 0 BDADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000084385150 384392983 /nfs/dbraw/zinc/39/29/83/384392983.db2.gz ACHTYNPLBYCOLM-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CC(C)(CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622912 384396541 /nfs/dbraw/zinc/39/65/41/384396541.db2.gz GRIQLGRTLQTMKY-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000647512007 384400204 /nfs/dbraw/zinc/40/02/04/384400204.db2.gz YXXMUAZJACWIHT-YNEHKIRRSA-N 2 1 246.358 1.053 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000566416520 384413350 /nfs/dbraw/zinc/41/33/50/384413350.db2.gz MOIAQALPSUWGED-STQMWFEESA-N 2 1 242.407 1.667 20 0 BDADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647172752 384427032 /nfs/dbraw/zinc/42/70/32/384427032.db2.gz HQKQTGCIOBQZDN-JQWIXIFHSA-N 2 1 223.320 1.349 20 0 BDADMP C1CC([NH+]2CCC([NH2+][C@H]3CCOC3)CC2)C1 ZINC000335607832 384386745 /nfs/dbraw/zinc/38/67/45/384386745.db2.gz LNCBMOINJOGKAH-LBPRGKRZSA-N 2 1 224.348 1.382 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647513886 384428173 /nfs/dbraw/zinc/42/81/73/384428173.db2.gz NFWMBXGGVCMTOG-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000647515912 384460128 /nfs/dbraw/zinc/46/01/28/384460128.db2.gz ZTZLPFHYKMVAOP-QWHCGFSZSA-N 2 1 226.364 1.080 20 0 BDADMP C[C@@H]1CSC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000335660324 384461485 /nfs/dbraw/zinc/46/14/85/384461485.db2.gz CRDMLIOEUPJRPY-ZYHUDNBSSA-N 2 1 226.389 1.589 20 0 BDADMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC000102478885 384472214 /nfs/dbraw/zinc/47/22/14/384472214.db2.gz OLCJVEQYKIBFHN-UHFFFAOYSA-N 2 1 243.395 1.173 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N)nc2)CCN1C ZINC000647517462 384490196 /nfs/dbraw/zinc/49/01/96/384490196.db2.gz ORVXTIISIDJKCF-DGCLKSJQSA-N 2 1 248.374 1.409 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000334420522 384493733 /nfs/dbraw/zinc/49/37/33/384493733.db2.gz SWVWDCPROUCGNW-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019843430 384545293 /nfs/dbraw/zinc/54/52/93/384545293.db2.gz KRGVBKKPYJKHNB-NSHDSACASA-N 2 1 205.305 1.252 20 0 BDADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019843430 384545298 /nfs/dbraw/zinc/54/52/98/384545298.db2.gz KRGVBKKPYJKHNB-NSHDSACASA-N 2 1 205.305 1.252 20 0 BDADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000236713064 384556621 /nfs/dbraw/zinc/55/66/21/384556621.db2.gz OQKSSRZMUJCFNW-NWDGAFQWSA-N 2 1 243.395 1.208 20 0 BDADMP C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@@H]1C[NH3+] ZINC000643052369 384558182 /nfs/dbraw/zinc/55/81/82/384558182.db2.gz YGSVBOOIEOIESN-UWVGGRQHSA-N 2 1 245.330 1.379 20 0 BDADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCOC1 ZINC000643056835 384558251 /nfs/dbraw/zinc/55/82/51/384558251.db2.gz ZDBYVPUTSRMIOG-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP c1cc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000643057149 384559437 /nfs/dbraw/zinc/55/94/37/384559437.db2.gz GELYJWPMOGAQDH-STQMWFEESA-N 2 1 248.374 1.589 20 0 BDADMP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066834 384580725 /nfs/dbraw/zinc/58/07/25/384580725.db2.gz UJPLQVQKTJPVOE-IHRRRGAJSA-N 3 1 237.391 1.060 20 0 BDADMP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000643066834 384580732 /nfs/dbraw/zinc/58/07/32/384580732.db2.gz UJPLQVQKTJPVOE-IHRRRGAJSA-N 3 1 237.391 1.060 20 0 BDADMP C[C@@H](C[NH2+]Cc1ccncc1)C[NH+](C)C ZINC000291698640 384567215 /nfs/dbraw/zinc/56/72/15/384567215.db2.gz JZKIIPRARLCJJU-NSHDSACASA-N 2 1 207.321 1.369 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000308987064 384603782 /nfs/dbraw/zinc/60/37/82/384603782.db2.gz UVVFHFNXKXEWSB-CYZMBNFOSA-N 2 1 208.349 1.859 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccncc2)C[C@H]1C[NH3+] ZINC000397414504 384600272 /nfs/dbraw/zinc/60/02/72/384600272.db2.gz XJQGDTXUCRFUCH-MBNYWOFBSA-N 2 1 233.359 1.887 20 0 BDADMP CCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)nc1 ZINC000647536625 384664565 /nfs/dbraw/zinc/66/45/65/384664565.db2.gz MQRNKCMAFUMDHF-AWEZNQCLSA-N 2 1 249.358 1.651 20 0 BDADMP CCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)nc1 ZINC000647536625 384664572 /nfs/dbraw/zinc/66/45/72/384664572.db2.gz MQRNKCMAFUMDHF-AWEZNQCLSA-N 2 1 249.358 1.651 20 0 BDADMP CO[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647538541 384668217 /nfs/dbraw/zinc/66/82/17/384668217.db2.gz XCHZEAIXLDRNOK-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403321178 384634372 /nfs/dbraw/zinc/63/43/72/384634372.db2.gz ABEDRQDPNZBFTH-NQBHXWOUSA-N 2 1 208.349 1.859 20 0 BDADMP CCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000050888240 384648966 /nfs/dbraw/zinc/64/89/66/384648966.db2.gz HDJWJMQHMYMVLG-WDEREUQCSA-N 2 1 202.342 1.077 20 0 BDADMP C[C@H]1CC[C@@H]([NH2+]C2CCSCC2)C[NH2+]1 ZINC000306686080 384660192 /nfs/dbraw/zinc/66/01/92/384660192.db2.gz JULUPLWTVGSGGB-GXSJLCMTSA-N 2 1 214.378 1.612 20 0 BDADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000086729736 384679507 /nfs/dbraw/zinc/67/95/07/384679507.db2.gz VOTXWHXMHNLYCL-CYBMUJFWSA-N 2 1 204.317 1.489 20 0 BDADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H]1CCCOC1 ZINC000300358488 384684913 /nfs/dbraw/zinc/68/49/13/384684913.db2.gz HQTHCMPIFZRKHN-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H]1CCCOC1 ZINC000300358488 384684921 /nfs/dbraw/zinc/68/49/21/384684921.db2.gz HQTHCMPIFZRKHN-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP Nc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000647541378 384685545 /nfs/dbraw/zinc/68/55/45/384685545.db2.gz DGMJGUUZLDDYLL-GFCCVEGCSA-N 2 1 234.347 1.197 20 0 BDADMP Clc1c[nH+]ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000086840169 384701651 /nfs/dbraw/zinc/70/16/51/384701651.db2.gz IIAYDWNNCFZNRV-DTORHVGOSA-N 2 1 223.707 1.391 20 0 BDADMP C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H](C)[NH3+] ZINC000449606517 384703174 /nfs/dbraw/zinc/70/31/74/384703174.db2.gz YXUFZVXCNUDFLZ-DMDPSCGWSA-N 2 1 249.358 1.141 20 0 BDADMP C1CC[NH+]([C@H]2CCC[N@@H+]([C@@H]3CCOC3)CC2)C1 ZINC000336180248 384710822 /nfs/dbraw/zinc/71/08/22/384710822.db2.gz SVPIVVNHEDKYAQ-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C1CC[NH+]([C@H]2CCC[N@H+]([C@@H]3CCOC3)CC2)C1 ZINC000336180248 384710830 /nfs/dbraw/zinc/71/08/30/384710830.db2.gz SVPIVVNHEDKYAQ-UONOGXRCSA-N 2 1 238.375 1.726 20 0 BDADMP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCCNC3)CC[C@@H]12 ZINC000647548184 384749812 /nfs/dbraw/zinc/74/98/12/384749812.db2.gz XZFBANQLQCKPNT-DGAVXFQQSA-N 2 1 237.391 1.106 20 0 BDADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]C1 ZINC000647548220 384754744 /nfs/dbraw/zinc/75/47/44/384754744.db2.gz ZONFGWLCVXAUNP-QWHCGFSZSA-N 3 1 237.391 1.250 20 0 BDADMP C[C@@]1(C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC[NH2+]C1 ZINC000647551961 384757937 /nfs/dbraw/zinc/75/79/37/384757937.db2.gz ZLDBGOGQJVGPIG-FRRDWIJNSA-N 2 1 224.348 1.097 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOC)C1 ZINC000174211344 384767696 /nfs/dbraw/zinc/76/76/96/384767696.db2.gz AQSLVJMVQBIPNP-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOC)C1 ZINC000174211344 384767700 /nfs/dbraw/zinc/76/77/00/384767700.db2.gz AQSLVJMVQBIPNP-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP CC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000126891436 384827596 /nfs/dbraw/zinc/82/75/96/384827596.db2.gz KRCGDULOMGQMEN-LBPRGKRZSA-N 2 1 214.353 1.220 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000306617097 384788117 /nfs/dbraw/zinc/78/81/17/384788117.db2.gz QRKAZHKPMHMOIS-HBNTYKKESA-N 2 1 214.378 1.470 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]CCCc1cnn(C)c1 ZINC000314257145 384888193 /nfs/dbraw/zinc/88/81/93/384888193.db2.gz ZXDYQIJWSIQKFW-UHFFFAOYSA-N 2 1 247.346 1.147 20 0 BDADMP COCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163666636 384841496 /nfs/dbraw/zinc/84/14/96/384841496.db2.gz SCBUIJYRLYLVKS-XQQFMLRXSA-N 2 1 226.364 1.472 20 0 BDADMP CSCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061916 384855427 /nfs/dbraw/zinc/85/54/27/384855427.db2.gz VBHXDZSOMXARSU-GHMZBOCLSA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177061916 384855436 /nfs/dbraw/zinc/85/54/36/384855436.db2.gz VBHXDZSOMXARSU-GHMZBOCLSA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061916 384855441 /nfs/dbraw/zinc/85/54/41/384855441.db2.gz VBHXDZSOMXARSU-GHMZBOCLSA-N 2 1 216.394 1.764 20 0 BDADMP CSCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061916 384855446 /nfs/dbraw/zinc/85/54/46/384855446.db2.gz VBHXDZSOMXARSU-GHMZBOCLSA-N 2 1 216.394 1.764 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000086403757 384869489 /nfs/dbraw/zinc/86/94/89/384869489.db2.gz POWJVUFHJJXYND-IJLUTSLNSA-N 2 1 223.364 1.083 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000086403757 384869493 /nfs/dbraw/zinc/86/94/93/384869493.db2.gz POWJVUFHJJXYND-IJLUTSLNSA-N 2 1 223.364 1.083 20 0 BDADMP COc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000259214869 384958761 /nfs/dbraw/zinc/95/87/61/384958761.db2.gz XJCYNSHYVGNUHM-STQMWFEESA-N 2 1 220.316 1.665 20 0 BDADMP C[N@@H+](CCC[NH2+][C@H]1CCOC1)Cc1ccccc1 ZINC000104063433 384925140 /nfs/dbraw/zinc/92/51/40/384925140.db2.gz HWCPJWLFPNIDIX-HNNXBMFYSA-N 2 1 248.370 1.887 20 0 BDADMP C[C@@H](C[NH2+]Cc1ccccn1)C[NH+]1CCCC1 ZINC000057994206 384977131 /nfs/dbraw/zinc/97/71/31/384977131.db2.gz BDBBSZDZJCZQED-ZDUSSCGKSA-N 2 1 233.359 1.903 20 0 BDADMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000234929224 384997121 /nfs/dbraw/zinc/99/71/21/384997121.db2.gz ICIDVDLVRTXACN-AWEZNQCLSA-N 2 1 234.343 1.866 20 0 BDADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399635 385006885 /nfs/dbraw/zinc/00/68/85/385006885.db2.gz JFMWSKZWXFSPBK-ZWNOBZJWSA-N 2 1 241.379 1.103 20 0 BDADMP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399648 385008756 /nfs/dbraw/zinc/00/87/56/385008756.db2.gz JFMWSKZWXFSPBK-GWCFXTLKSA-N 2 1 241.379 1.103 20 0 BDADMP C[N@@H+](Cc1coc2ccccc12)C[C@@H](O)C[NH3+] ZINC000259131154 384962882 /nfs/dbraw/zinc/96/28/82/384962882.db2.gz UGFWHFGSKPYKAN-NSHDSACASA-N 2 1 234.299 1.184 20 0 BDADMP C[N@H+](Cc1coc2ccccc12)C[C@@H](O)C[NH3+] ZINC000259131154 384962885 /nfs/dbraw/zinc/96/28/85/384962885.db2.gz UGFWHFGSKPYKAN-NSHDSACASA-N 2 1 234.299 1.184 20 0 BDADMP CO[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)C1 ZINC000300930201 385054243 /nfs/dbraw/zinc/05/42/43/385054243.db2.gz QXAYOJNPSRTURZ-RWMBFGLXSA-N 2 1 228.380 1.859 20 0 BDADMP CO[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)C1 ZINC000300930201 385054244 /nfs/dbraw/zinc/05/42/44/385054244.db2.gz QXAYOJNPSRTURZ-RWMBFGLXSA-N 2 1 228.380 1.859 20 0 BDADMP C[C@@](C[NH3+])([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000359215974 385064096 /nfs/dbraw/zinc/06/40/96/385064096.db2.gz KQVSYVYBIIAERY-ZDUSSCGKSA-N 3 1 225.380 1.093 20 0 BDADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000226927377 385072827 /nfs/dbraw/zinc/07/28/27/385072827.db2.gz BMZOIXQLSXRUND-WDEREUQCSA-N 2 1 223.320 1.542 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000226927377 385072832 /nfs/dbraw/zinc/07/28/32/385072832.db2.gz BMZOIXQLSXRUND-WDEREUQCSA-N 2 1 223.320 1.542 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000310012545 385024461 /nfs/dbraw/zinc/02/44/61/385024461.db2.gz JEUCCRJXAVOAAX-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP COCC[N@@H+](C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000156978730 385029878 /nfs/dbraw/zinc/02/98/78/385029878.db2.gz YGNPKMWBUXLGSF-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCC[NH+](C)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000156978730 385029884 /nfs/dbraw/zinc/02/98/84/385029884.db2.gz YGNPKMWBUXLGSF-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCC[NH+](C)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000156978730 385029888 /nfs/dbraw/zinc/02/98/88/385029888.db2.gz YGNPKMWBUXLGSF-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COC[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164708291 385032504 /nfs/dbraw/zinc/03/25/04/385032504.db2.gz AUBJWSMJCAQLFR-NSHDSACASA-N 2 1 225.336 1.596 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH2+]CC1=CCCOC1 ZINC000127512063 385119760 /nfs/dbraw/zinc/11/97/60/385119760.db2.gz WPHGJAQMAMTDEW-UHFFFAOYSA-N 2 1 249.358 1.908 20 0 BDADMP COCC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310583469 385121754 /nfs/dbraw/zinc/12/17/54/385121754.db2.gz SNWCRAHJVXXHLX-RWMBFGLXSA-N 2 1 244.379 1.110 20 0 BDADMP COCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310583469 385121760 /nfs/dbraw/zinc/12/17/60/385121760.db2.gz SNWCRAHJVXXHLX-RWMBFGLXSA-N 2 1 244.379 1.110 20 0 BDADMP C[C@@H](CCCC[NH3+])[NH2+]CCCN1CCCCC1 ZINC000310522357 385105548 /nfs/dbraw/zinc/10/55/48/385105548.db2.gz MHVFIRBDLKGQGO-AWEZNQCLSA-N 2 1 241.423 1.970 20 0 BDADMP CN(C)c1nc(NC[C@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000227666519 385190871 /nfs/dbraw/zinc/19/08/71/385190871.db2.gz YOFIKHHZOJYQAC-WDEREUQCSA-N 2 1 249.362 1.472 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000162187796 385166838 /nfs/dbraw/zinc/16/68/38/385166838.db2.gz ZRXCTXRPLBVRIS-CMPLNLGQSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000164658510 385223311 /nfs/dbraw/zinc/22/33/11/385223311.db2.gz NPILWZJRIFCJCP-AGIUHOORSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252729644 385234354 /nfs/dbraw/zinc/23/43/54/385234354.db2.gz HQKKGJKWHZXJBV-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252729644 385234361 /nfs/dbraw/zinc/23/43/61/385234361.db2.gz HQKKGJKWHZXJBV-LPWJVIDDSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527704 385310342 /nfs/dbraw/zinc/31/03/42/385310342.db2.gz KWZASGVVVRQCET-LLVKDONJSA-N 2 1 223.320 1.462 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527704 385310347 /nfs/dbraw/zinc/31/03/47/385310347.db2.gz KWZASGVVVRQCET-LLVKDONJSA-N 2 1 223.320 1.462 20 0 BDADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000647490609 385282294 /nfs/dbraw/zinc/28/22/94/385282294.db2.gz CHTJDUAZKKOWFM-NSHDSACASA-N 2 1 230.315 1.115 20 0 BDADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000647490609 385282300 /nfs/dbraw/zinc/28/23/00/385282300.db2.gz CHTJDUAZKKOWFM-NSHDSACASA-N 2 1 230.315 1.115 20 0 BDADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000308928403 385288784 /nfs/dbraw/zinc/28/87/84/385288784.db2.gz QQQVWVAZKKFFOE-IJLUTSLNSA-N 2 1 214.353 1.484 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCn2cccn2)[C@H]1C ZINC000316795303 385330150 /nfs/dbraw/zinc/33/01/50/385330150.db2.gz GNNSJHICLCLTGS-FRRDWIJNSA-N 2 1 236.363 1.331 20 0 BDADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCn2cccn2)[C@H]1C ZINC000316795303 385330154 /nfs/dbraw/zinc/33/01/54/385330154.db2.gz GNNSJHICLCLTGS-FRRDWIJNSA-N 2 1 236.363 1.331 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000228076394 385330573 /nfs/dbraw/zinc/33/05/73/385330573.db2.gz KUDNUPGNGMTRLZ-KCJUWKMLSA-N 2 1 239.388 1.929 20 0 BDADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228151804 385350056 /nfs/dbraw/zinc/35/00/56/385350056.db2.gz CUHYHOOCBKVKES-WDEREUQCSA-N 2 1 235.331 1.265 20 0 BDADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1(C)CC1 ZINC000168334037 385362970 /nfs/dbraw/zinc/36/29/70/385362970.db2.gz CQNYZRANRGNXJA-GFCCVEGCSA-N 2 1 240.391 1.875 20 0 BDADMP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000400168271 385326612 /nfs/dbraw/zinc/32/66/12/385326612.db2.gz MCXUCKVLLWXSAE-BXUZGUMPSA-N 2 1 238.375 1.485 20 0 BDADMP CO[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309067515 385391953 /nfs/dbraw/zinc/39/19/53/385391953.db2.gz AHCOCIQYCUWGFR-UTUOFQBUSA-N 2 1 214.353 1.341 20 0 BDADMP CO[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000309067512 385392029 /nfs/dbraw/zinc/39/20/29/385392029.db2.gz AHCOCIQYCUWGFR-IJLUTSLNSA-N 2 1 214.353 1.341 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000193347611 385394354 /nfs/dbraw/zinc/39/43/54/385394354.db2.gz SIMYRJWHLYJWDL-LBPRGKRZSA-N 2 1 234.347 1.047 20 0 BDADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000193347611 385394361 /nfs/dbraw/zinc/39/43/61/385394361.db2.gz SIMYRJWHLYJWDL-LBPRGKRZSA-N 2 1 234.347 1.047 20 0 BDADMP CCC1(C[NH2+]C2CC[NH+](C)CC2)COC1 ZINC000309193134 385457595 /nfs/dbraw/zinc/45/75/95/385457595.db2.gz PZIZHDFPVZTLHX-UHFFFAOYSA-N 2 1 212.337 1.097 20 0 BDADMP Fc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000364441892 385444836 /nfs/dbraw/zinc/44/48/36/385444836.db2.gz GOQKCHLADPWMIB-CHWSQXEVSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000364441892 385444839 /nfs/dbraw/zinc/44/48/39/385444839.db2.gz GOQKCHLADPWMIB-CHWSQXEVSA-N 2 1 249.333 1.937 20 0 BDADMP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000364441892 385444841 /nfs/dbraw/zinc/44/48/41/385444841.db2.gz GOQKCHLADPWMIB-CHWSQXEVSA-N 2 1 249.333 1.937 20 0 BDADMP Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc(C)[nH+]1 ZINC000643033777 385535344 /nfs/dbraw/zinc/53/53/44/385535344.db2.gz PWBQNKMZSXLAAC-VXGBXAGGSA-N 2 1 232.331 1.282 20 0 BDADMP Clc1c[nH+]ccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643032564 385527419 /nfs/dbraw/zinc/52/74/19/385527419.db2.gz DWZBJOUMZDJLBL-MWLCHTKSSA-N 2 1 237.734 1.923 20 0 BDADMP COC1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCCC1 ZINC000319151419 385551009 /nfs/dbraw/zinc/55/10/09/385551009.db2.gz JMMJKBZBIRNEGJ-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309425122 385578083 /nfs/dbraw/zinc/57/80/83/385578083.db2.gz ANLWIQSFUGDOQY-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H](CCC1CC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309425122 385578086 /nfs/dbraw/zinc/57/80/86/385578086.db2.gz ANLWIQSFUGDOQY-AAEUAGOBSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCN(C)C ZINC000336680175 385630091 /nfs/dbraw/zinc/63/00/91/385630091.db2.gz GJKPQUHDWUSXSH-GHMZBOCLSA-N 2 1 201.358 1.044 20 0 BDADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)n1 ZINC000414851507 385660257 /nfs/dbraw/zinc/66/02/57/385660257.db2.gz UNEHXMYGOOYZOF-AAEUAGOBSA-N 2 1 249.358 1.363 20 0 BDADMP CCSCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000336653469 385682641 /nfs/dbraw/zinc/68/26/41/385682641.db2.gz LKKJRRNTFVOOJC-SNVBAGLBSA-N 2 1 204.383 1.703 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC[NH+](C)C)[C@@H](C)C1 ZINC000221705942 385689227 /nfs/dbraw/zinc/68/92/27/385689227.db2.gz WHINNSFCBLSKAR-STQMWFEESA-N 2 1 227.396 1.258 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+](C)C)[C@@H](C)C1 ZINC000221705942 385689233 /nfs/dbraw/zinc/68/92/33/385689233.db2.gz WHINNSFCBLSKAR-STQMWFEESA-N 3 1 227.396 1.258 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+](C)C)[C@@H](C)C1 ZINC000221705942 385689236 /nfs/dbraw/zinc/68/92/36/385689236.db2.gz WHINNSFCBLSKAR-STQMWFEESA-N 3 1 227.396 1.258 20 0 BDADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCOCC1 ZINC000414856381 385712102 /nfs/dbraw/zinc/71/21/02/385712102.db2.gz YUBLRZDLUMHGAW-NEPJUHHUSA-N 2 1 214.353 1.519 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCOC1 ZINC000309580875 385713510 /nfs/dbraw/zinc/71/35/10/385713510.db2.gz QIGUBWUTYQDRQN-YPMHNXCESA-N 2 1 224.348 1.263 20 0 BDADMP C[NH2+]CCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414856894 385718621 /nfs/dbraw/zinc/71/86/21/385718621.db2.gz BHCWCRXCLHZRKY-UHFFFAOYSA-N 2 1 244.342 1.776 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414851817 385666591 /nfs/dbraw/zinc/66/65/91/385666591.db2.gz VFMZKFZZWGPJIP-AGIUHOORSA-N 2 1 225.380 1.058 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000414851820 385667774 /nfs/dbraw/zinc/66/77/74/385667774.db2.gz VFMZKFZZWGPJIP-UPJWGTAASA-N 2 1 225.380 1.058 20 0 BDADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000128525133 385728506 /nfs/dbraw/zinc/72/85/06/385728506.db2.gz RTSHKKDBNHYXKO-JSGCOSHPSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH2+]CCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000414858001 385729781 /nfs/dbraw/zinc/72/97/81/385729781.db2.gz HDFYCOFSBINTSQ-CHWSQXEVSA-N 3 1 227.396 1.496 20 0 BDADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCO[C@H]12 ZINC000414859404 385740946 /nfs/dbraw/zinc/74/09/46/385740946.db2.gz AUYOGBHKKWYXRT-FDYHWXHSSA-N 2 1 236.359 1.286 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000414863291 385765084 /nfs/dbraw/zinc/76/50/84/385765084.db2.gz IHXPMVDZXVRDCR-GXTWGEPZSA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414944509 385782325 /nfs/dbraw/zinc/78/23/25/385782325.db2.gz OFNYFMKUFKQZSJ-PBKGFPTLSA-N 2 1 208.280 1.776 20 0 BDADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000414944721 385784819 /nfs/dbraw/zinc/78/48/19/385784819.db2.gz QGVHYMULYHWNDS-RQJABVFESA-N 2 1 239.407 1.304 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000414944721 385784822 /nfs/dbraw/zinc/78/48/22/385784822.db2.gz QGVHYMULYHWNDS-RQJABVFESA-N 3 1 239.407 1.304 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000414944721 385784829 /nfs/dbraw/zinc/78/48/29/385784829.db2.gz QGVHYMULYHWNDS-RQJABVFESA-N 3 1 239.407 1.304 20 0 BDADMP [NH3+]C[C@H]([NH2+]CC[C@@H]1CCOC1)C1CCCCC1 ZINC000414856990 385726659 /nfs/dbraw/zinc/72/66/59/385726659.db2.gz ZYOZQNKFDDVCKM-OCCSQVGLSA-N 2 1 240.391 1.910 20 0 BDADMP CC(C)n1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414958468 385856890 /nfs/dbraw/zinc/85/68/90/385856890.db2.gz OWSKCXLJJZXLMP-WCQYABFASA-N 2 1 236.363 1.552 20 0 BDADMP COc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414951852 385822242 /nfs/dbraw/zinc/82/22/42/385822242.db2.gz QEYBWTOSAYSFAB-WCQYABFASA-N 2 1 234.343 1.925 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000414954777 385829778 /nfs/dbraw/zinc/82/97/78/385829778.db2.gz KWAQZSLNWXVIPT-JHJVBQTASA-N 2 1 227.396 1.304 20 0 BDADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cnccn1 ZINC000647803215 385839275 /nfs/dbraw/zinc/83/92/75/385839275.db2.gz NCFCDFZANWYJOD-NSHDSACASA-N 2 1 242.326 1.786 20 0 BDADMP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000336740864 385839838 /nfs/dbraw/zinc/83/98/38/385839838.db2.gz MPQQVQWOCRMDTA-ZYHUDNBSSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000336740864 385839845 /nfs/dbraw/zinc/83/98/45/385839845.db2.gz MPQQVQWOCRMDTA-ZYHUDNBSSA-N 2 1 240.372 1.465 20 0 BDADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccs1 ZINC000336740864 385839849 /nfs/dbraw/zinc/83/98/49/385839849.db2.gz MPQQVQWOCRMDTA-ZYHUDNBSSA-N 2 1 240.372 1.465 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336741465 385858584 /nfs/dbraw/zinc/85/85/84/385858584.db2.gz RCTCEVZWTWHTPQ-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP CCCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336741465 385858589 /nfs/dbraw/zinc/85/85/89/385858589.db2.gz RCTCEVZWTWHTPQ-CHWSQXEVSA-N 2 1 228.380 1.611 20 0 BDADMP Cc1ccncc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291712235 385796897 /nfs/dbraw/zinc/79/68/97/385796897.db2.gz LKZGCTMIKFDYPC-LLVKDONJSA-N 2 1 221.348 1.677 20 0 BDADMP CC[C@@H]([NH3+])CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000294712589 385885074 /nfs/dbraw/zinc/88/50/74/385885074.db2.gz BNPJMHFQBIMJBI-OLZOCXBDSA-N 2 1 249.358 1.143 20 0 BDADMP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000342077432 385922525 /nfs/dbraw/zinc/92/25/25/385922525.db2.gz BUTMMRJJPPQKEP-FPMFFAJLSA-N 2 1 246.358 1.344 20 0 BDADMP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000342077432 385922529 /nfs/dbraw/zinc/92/25/29/385922529.db2.gz BUTMMRJJPPQKEP-FPMFFAJLSA-N 2 1 246.358 1.344 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035028 385923092 /nfs/dbraw/zinc/92/30/92/385923092.db2.gz RUKDZSVCYSNGJO-ZIAGYGMSSA-N 2 1 232.327 1.686 20 0 BDADMP C[N@H+](C[C@H](O)C[NH+]1CCC(C)(C)CC1)C1CC1 ZINC000336719675 385860208 /nfs/dbraw/zinc/86/02/08/385860208.db2.gz RPLPCNCEAJRLDK-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(C)(C)CC1)C1CC1 ZINC000336719675 385860209 /nfs/dbraw/zinc/86/02/09/385860209.db2.gz RPLPCNCEAJRLDK-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccncc1 ZINC000342104204 385927551 /nfs/dbraw/zinc/92/75/51/385927551.db2.gz NLUZPFSDZRGWRY-JTQLQIEISA-N 2 1 205.305 1.614 20 0 BDADMP C1CC1[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414872678 385866935 /nfs/dbraw/zinc/86/69/35/385866935.db2.gz WQAAFYTZMFJGJH-UPJWGTAASA-N 2 1 208.349 1.907 20 0 BDADMP FCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814783 385868265 /nfs/dbraw/zinc/86/82/65/385868265.db2.gz FZHJICTXNGLPFI-UHFFFAOYSA-N 2 1 200.301 1.562 20 0 BDADMP CCC[NH2+]CC[NH2+]C1Cc2ccccc2C1 ZINC000414872762 385868933 /nfs/dbraw/zinc/86/89/33/385868933.db2.gz QCKSWICEOOTGLL-UHFFFAOYSA-N 2 1 218.344 1.743 20 0 BDADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000335038301 385928057 /nfs/dbraw/zinc/92/80/57/385928057.db2.gz JPFOYAMJBXWABT-QWHCGFSZSA-N 2 1 219.332 1.831 20 0 BDADMP C[C@@H]1CNCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647828427 385875940 /nfs/dbraw/zinc/87/59/40/385875940.db2.gz CMNLLGNUEBPPEO-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP C[C@@H]1CNCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647828427 385875946 /nfs/dbraw/zinc/87/59/46/385875946.db2.gz CMNLLGNUEBPPEO-GFCCVEGCSA-N 2 1 225.380 1.060 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@H](C)C[NH3+])n1 ZINC000414873536 385878068 /nfs/dbraw/zinc/87/80/68/385878068.db2.gz HLJLFZPTCIHARV-SNVBAGLBSA-N 2 1 223.320 1.165 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000335038168 385928439 /nfs/dbraw/zinc/92/84/39/385928439.db2.gz HFOMNLTXXYOUCZ-VXGBXAGGSA-N 2 1 226.364 1.391 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414971733 385975922 /nfs/dbraw/zinc/97/59/22/385975922.db2.gz IYUITXYZPAYDDI-RDBSUJKOSA-N 2 1 239.407 1.306 20 0 BDADMP CCN1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335019225 385977169 /nfs/dbraw/zinc/97/71/69/385977169.db2.gz LUKIJDIPZXASIT-OCCSQVGLSA-N 2 1 239.407 1.448 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000335019225 385977175 /nfs/dbraw/zinc/97/71/75/385977175.db2.gz LUKIJDIPZXASIT-OCCSQVGLSA-N 3 1 239.407 1.448 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000335039995 385931869 /nfs/dbraw/zinc/93/18/69/385931869.db2.gz NYOKTZXOTSDIQM-KBPBESRZSA-N 2 1 239.407 1.578 20 0 BDADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)[C@@H]1C[C@H]1C ZINC000414075135 385948371 /nfs/dbraw/zinc/94/83/71/385948371.db2.gz XKDHJOCPQRCINS-MCIONIFRSA-N 2 1 242.407 1.979 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCCC[C@H]1O ZINC000338305390 385953557 /nfs/dbraw/zinc/95/35/57/385953557.db2.gz JWWZXQOLDMPPLV-UONOGXRCSA-N 2 1 242.407 1.954 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012376 385968070 /nfs/dbraw/zinc/96/80/70/385968070.db2.gz YYEDQMGYMHXRBV-QWHCGFSZSA-N 3 1 239.407 1.578 20 0 BDADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@H]1C ZINC000414109802 385970355 /nfs/dbraw/zinc/97/03/55/385970355.db2.gz HNFMELMKNQPRJJ-FRRDWIJNSA-N 2 1 240.391 1.731 20 0 BDADMP Cn1cnc2cc(C[NH2+]C[C@H]([NH3+])C3CC3)ccc21 ZINC000414882152 386004713 /nfs/dbraw/zinc/00/47/13/386004713.db2.gz BQQFYFSERYJEJU-LBPRGKRZSA-N 2 1 244.342 1.400 20 0 BDADMP Cc1noc(C)c1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000335066244 386005333 /nfs/dbraw/zinc/00/53/33/386005333.db2.gz RPLUMYXPENLEAX-OCCSQVGLSA-N 2 1 249.358 1.817 20 0 BDADMP COc1cc(C)[nH+]c(CN2CC[NH2+][C@H](C)C2)c1 ZINC000128740067 386008394 /nfs/dbraw/zinc/00/83/94/386008394.db2.gz QCITWEUEJUJGCZ-LLVKDONJSA-N 2 1 235.331 1.192 20 0 BDADMP C[NH+](C)[C@@H](C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000336751909 386011157 /nfs/dbraw/zinc/01/11/57/386011157.db2.gz FRTALALBPZDMOE-PWSUYJOCSA-N 2 1 228.405 1.669 20 0 BDADMP CCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976250 386014885 /nfs/dbraw/zinc/01/48/85/386014885.db2.gz NQZOTDCKLKXKDP-RYUDHWBXSA-N 2 1 213.369 1.058 20 0 BDADMP CC[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000414882728 386021323 /nfs/dbraw/zinc/02/13/23/386021323.db2.gz CFXRFLQTAJEATB-FRRDWIJNSA-N 3 1 225.380 1.058 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 ZINC000414883003 386026612 /nfs/dbraw/zinc/02/66/12/386026612.db2.gz NEOTYQUVIMYQBF-WOPDTQHZSA-N 2 1 212.337 1.142 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000414978265 386039628 /nfs/dbraw/zinc/03/96/28/386039628.db2.gz RKFPWJMAMNAQBX-MGPQQGTHSA-N 2 1 237.391 1.058 20 0 BDADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1 ZINC000414979789 386046299 /nfs/dbraw/zinc/04/62/99/386046299.db2.gz ONXDHNZQIOBCKJ-LLVKDONJSA-N 2 1 208.305 1.522 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414665200 386107596 /nfs/dbraw/zinc/10/75/96/386107596.db2.gz UUJDOEKVCJTPSP-SYQHCUMBSA-N 2 1 239.407 1.434 20 0 BDADMP CCCC[N@H+](CCO)C[C@H]([NH3+])CC(C)C ZINC000414663592 386112412 /nfs/dbraw/zinc/11/24/12/386112412.db2.gz BNBRMQVEKPRLTE-GFCCVEGCSA-N 2 1 216.369 1.454 20 0 BDADMP CCCC[N@@H+](CCO)C[C@H]([NH3+])CC(C)C ZINC000414663592 386112416 /nfs/dbraw/zinc/11/24/16/386112416.db2.gz BNBRMQVEKPRLTE-GFCCVEGCSA-N 2 1 216.369 1.454 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+](CC(C)(C)O)C1CC1 ZINC000189889602 386113448 /nfs/dbraw/zinc/11/34/48/386113448.db2.gz YIVWIDYWCOJAGT-GFCCVEGCSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+](CC(C)(C)O)C1CC1 ZINC000189889602 386113452 /nfs/dbraw/zinc/11/34/52/386113452.db2.gz YIVWIDYWCOJAGT-GFCCVEGCSA-N 2 1 240.391 1.706 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CC(C)(C)O)C1CC1 ZINC000189889602 386113456 /nfs/dbraw/zinc/11/34/56/386113456.db2.gz YIVWIDYWCOJAGT-GFCCVEGCSA-N 2 1 240.391 1.706 20 0 BDADMP CCOc1ccc(C[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000414986663 386113826 /nfs/dbraw/zinc/11/38/26/386113826.db2.gz YBERNONCKMTWKN-GFCCVEGCSA-N 2 1 222.332 1.912 20 0 BDADMP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000414205999 386059725 /nfs/dbraw/zinc/05/97/25/386059725.db2.gz PPLOAJOSKVVVMT-XQQFMLRXSA-N 2 1 228.380 1.589 20 0 BDADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000311996432 386070497 /nfs/dbraw/zinc/07/04/97/386070497.db2.gz GDIWNUBBAFIJBL-KOLCDFICSA-N 2 1 237.347 1.715 20 0 BDADMP CCc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000311996432 386070502 /nfs/dbraw/zinc/07/05/02/386070502.db2.gz GDIWNUBBAFIJBL-KOLCDFICSA-N 2 1 237.347 1.715 20 0 BDADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC12CCCC2 ZINC000340240651 386072104 /nfs/dbraw/zinc/07/21/04/386072104.db2.gz VVWKQBKPCIMZQL-OLZOCXBDSA-N 2 1 240.391 1.611 20 0 BDADMP CCOc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414886765 386078247 /nfs/dbraw/zinc/07/82/47/386078247.db2.gz CXWNJWBKRWOLLU-CQSZACIVSA-N 2 1 234.343 1.912 20 0 BDADMP C[C@H]1NCC[N@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000647941193 386079722 /nfs/dbraw/zinc/07/97/22/386079722.db2.gz CKDDCMBCZUPEOB-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1NCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000647941193 386079731 /nfs/dbraw/zinc/07/97/31/386079731.db2.gz CKDDCMBCZUPEOB-OLZOCXBDSA-N 2 1 239.407 1.448 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)C(C)C ZINC000414285298 386096154 /nfs/dbraw/zinc/09/61/54/386096154.db2.gz BDSWIEPRSNDXDI-OLZOCXBDSA-N 2 1 228.380 1.466 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000414663326 386096456 /nfs/dbraw/zinc/09/64/56/386096456.db2.gz REEHECCYABFRJY-NWDGAFQWSA-N 3 1 227.396 1.291 20 0 BDADMP C[C@H]1C[C@H](C[N@H+](C)CC(C)(C)CN)CC[NH2+]1 ZINC000414663326 386096460 /nfs/dbraw/zinc/09/64/60/386096460.db2.gz REEHECCYABFRJY-NWDGAFQWSA-N 2 1 227.396 1.291 20 0 BDADMP C[C@H]1C[C@H](C[N@@H+](C)CC(C)(C)CN)CC[NH2+]1 ZINC000414663326 386096465 /nfs/dbraw/zinc/09/64/65/386096465.db2.gz REEHECCYABFRJY-NWDGAFQWSA-N 2 1 227.396 1.291 20 0 BDADMP [NH3+][C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000414888037 386096694 /nfs/dbraw/zinc/09/66/94/386096694.db2.gz DUHAIGAYVJLZEH-LBPRGKRZSA-N 2 1 208.280 1.653 20 0 BDADMP CC(C)[N@@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677741 386157669 /nfs/dbraw/zinc/15/76/69/386157669.db2.gz JMKGCMONHNYVCE-NWDGAFQWSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[N@@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414681685 386163375 /nfs/dbraw/zinc/16/33/75/386163375.db2.gz PRWYYGXEDWZNTH-RYUDHWBXSA-N 2 1 214.353 1.079 20 0 BDADMP CCCCC[N@@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414681584 386165219 /nfs/dbraw/zinc/16/52/19/386165219.db2.gz PMNUNKUQHNOXFW-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000414683105 386166088 /nfs/dbraw/zinc/16/60/88/386166088.db2.gz AQASNPJCKSUANA-RYUDHWBXSA-N 2 1 241.379 1.090 20 0 BDADMP NC(=O)C[N@H+](CCC[NH3+])CCC1CCCCC1 ZINC000414686696 386175121 /nfs/dbraw/zinc/17/51/21/386175121.db2.gz AUYJDWLLBBYKDR-UHFFFAOYSA-N 2 1 241.379 1.093 20 0 BDADMP NC(=O)C[N@@H+](CCC[NH3+])CCC1CCCCC1 ZINC000414686696 386175125 /nfs/dbraw/zinc/17/51/25/386175125.db2.gz AUYJDWLLBBYKDR-UHFFFAOYSA-N 2 1 241.379 1.093 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1CO ZINC000190425694 386179580 /nfs/dbraw/zinc/17/95/80/386179580.db2.gz NYNRJIIERZFAIW-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP CCC([NH3+])(CC)CNc1cc[nH+]c(N(C)C)n1 ZINC000130055631 386135718 /nfs/dbraw/zinc/13/57/18/386135718.db2.gz RIIKUPJPHVICJN-UHFFFAOYSA-N 2 1 237.351 1.472 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC000414700959 386202597 /nfs/dbraw/zinc/20/25/97/386202597.db2.gz KJOHRLCGKPNLHE-BZPMIXESSA-N 2 1 238.375 1.485 20 0 BDADMP C[N@@H+](CCOC1CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000347059634 386209302 /nfs/dbraw/zinc/20/93/02/386209302.db2.gz RHAGDDWGFZFHTE-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCOC1CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000347059634 386209307 /nfs/dbraw/zinc/20/93/07/386209307.db2.gz RHAGDDWGFZFHTE-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[NH+](CCOC1CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000347059634 386209311 /nfs/dbraw/zinc/20/93/11/386209311.db2.gz RHAGDDWGFZFHTE-CYBMUJFWSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H](C[N@@H+](C)CCC[NH3+])c1nccs1 ZINC000414703648 386213574 /nfs/dbraw/zinc/21/35/74/386213574.db2.gz CQMKWUHCXMUZQK-SECBINFHSA-N 2 1 213.350 1.527 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](CCC[NH3+])C1 ZINC000414704122 386214025 /nfs/dbraw/zinc/21/40/25/386214025.db2.gz JJCHJLRXZOYJGI-LLVKDONJSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCC[NH3+] ZINC000414707659 386219416 /nfs/dbraw/zinc/21/94/16/386219416.db2.gz MZECKIKSLLHUOZ-RISCZKNCSA-N 2 1 234.343 1.659 20 0 BDADMP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCC[NH3+] ZINC000414707657 386219812 /nfs/dbraw/zinc/21/98/12/386219812.db2.gz MZECKIKSLLHUOZ-FZMZJTMJSA-N 2 1 234.343 1.659 20 0 BDADMP COc1ccc(CC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131767774 386221892 /nfs/dbraw/zinc/22/18/92/386221892.db2.gz UYKCOJDKZSGIMB-GXTWGEPZSA-N 2 1 248.370 1.907 20 0 BDADMP [NH3+]CCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000414709661 386225084 /nfs/dbraw/zinc/22/50/84/386225084.db2.gz PBSCGPIZMNCESO-OAHLLOKOSA-N 2 1 248.370 1.669 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452069089 386230293 /nfs/dbraw/zinc/23/02/93/386230293.db2.gz LSFTUESVYDXWPZ-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452069089 386230297 /nfs/dbraw/zinc/23/02/97/386230297.db2.gz LSFTUESVYDXWPZ-DGCLKSJQSA-N 2 1 237.347 1.284 20 0 BDADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000347125387 386236743 /nfs/dbraw/zinc/23/67/43/386236743.db2.gz YFPDQGAISILSDJ-HZSPNIEDSA-N 2 1 240.391 1.862 20 0 BDADMP Oc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647883000 386241576 /nfs/dbraw/zinc/24/15/76/386241576.db2.gz YUVKUIKTSXDWFE-GFCCVEGCSA-N 2 1 246.354 1.402 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+](C)CC[C@H](C)O ZINC000414717823 386247590 /nfs/dbraw/zinc/24/75/90/386247590.db2.gz YEJYHQDHUPPCMQ-QWRGUYRKSA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)CC[C@H](C)O ZINC000414717823 386247595 /nfs/dbraw/zinc/24/75/95/386247595.db2.gz YEJYHQDHUPPCMQ-QWRGUYRKSA-N 2 1 202.342 1.063 20 0 BDADMP CC(C)(C)C[N@@H+](CCO)CCC1CC[NH2+]CC1 ZINC000647884493 386256999 /nfs/dbraw/zinc/25/69/99/386256999.db2.gz WBQWRCFZESUXGS-UHFFFAOYSA-N 2 1 242.407 1.717 20 0 BDADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCOC1 ZINC000336647225 386257664 /nfs/dbraw/zinc/25/76/64/386257664.db2.gz FKFUREGGPURJRD-OLZOCXBDSA-N 2 1 226.364 1.582 20 0 BDADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414729780 386281085 /nfs/dbraw/zinc/28/10/85/386281085.db2.gz FJUUKRBBPFFGAO-GFCCVEGCSA-N 3 1 227.396 1.435 20 0 BDADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414729780 386281088 /nfs/dbraw/zinc/28/10/88/386281088.db2.gz FJUUKRBBPFFGAO-GFCCVEGCSA-N 3 1 227.396 1.435 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336663625 386284950 /nfs/dbraw/zinc/28/49/50/386284950.db2.gz CPZMNYRPNJOMGG-RYUDHWBXSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H](O)CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336663623 386285777 /nfs/dbraw/zinc/28/57/77/386285777.db2.gz CPZMNYRPNJOMGG-NEPJUHHUSA-N 2 1 214.353 1.031 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC(F)F)CC[N@H+]1C ZINC000336730856 386288685 /nfs/dbraw/zinc/28/86/85/386288685.db2.gz DYTZCDMEKXALPZ-OPRDCNLKSA-N 2 1 236.306 1.075 20 0 BDADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414900002 386265410 /nfs/dbraw/zinc/26/54/10/386265410.db2.gz VJCXATMKHCHSGY-CYBMUJFWSA-N 2 1 220.316 1.522 20 0 BDADMP Cc1nccn1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428039477 386271137 /nfs/dbraw/zinc/27/11/37/386271137.db2.gz FGLYGPVADCYIQD-ZIAGYGMSSA-N 2 1 248.374 1.265 20 0 BDADMP C[NH2+]CCC[N@@H+](CCO)CCc1ccccc1 ZINC000647885664 386278449 /nfs/dbraw/zinc/27/84/49/386278449.db2.gz CDPKZKYHNKYNKC-UHFFFAOYSA-N 2 1 236.359 1.133 20 0 BDADMP OCC[N@@H+](CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647885654 386279404 /nfs/dbraw/zinc/27/94/04/386279404.db2.gz BFATYGFNZQECGS-OAHLLOKOSA-N 2 1 248.370 1.133 20 0 BDADMP CC(C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000336682333 386339905 /nfs/dbraw/zinc/33/99/05/386339905.db2.gz RLZOICJJEIBYAG-UHFFFAOYSA-N 2 1 227.396 1.353 20 0 BDADMP Oc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414903929 386343413 /nfs/dbraw/zinc/34/34/13/386343413.db2.gz IZGRODNMSCNDNX-GFCCVEGCSA-N 2 1 220.316 1.624 20 0 BDADMP C[NH+]1CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000336774214 386350223 /nfs/dbraw/zinc/35/02/23/386350223.db2.gz ZMHUHFHIAQIKLP-UHFFFAOYSA-N 2 1 214.328 1.953 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC000336695147 386375260 /nfs/dbraw/zinc/37/52/60/386375260.db2.gz JGZOXPRTXDTOKR-ZDUSSCGKSA-N 2 1 237.347 1.550 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@H](C)C1 ZINC000347383630 386375565 /nfs/dbraw/zinc/37/55/65/386375565.db2.gz YMWFZWBWTIOUBQ-KGLIPLIRSA-N 3 1 241.423 1.648 20 0 BDADMP CCN1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@H](C)C1 ZINC000347383630 386375569 /nfs/dbraw/zinc/37/55/69/386375569.db2.gz YMWFZWBWTIOUBQ-KGLIPLIRSA-N 2 1 241.423 1.648 20 0 BDADMP [NH3+]CCC[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000414740660 386333800 /nfs/dbraw/zinc/33/38/00/386333800.db2.gz DIDYYBZACHRTNP-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP [NH3+]CCC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000414740660 386333803 /nfs/dbraw/zinc/33/38/03/386333803.db2.gz DIDYYBZACHRTNP-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP COC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336719036 386448432 /nfs/dbraw/zinc/44/84/32/386448432.db2.gz RMLZVAQEVXRVLG-TZMCWYRMSA-N 2 1 240.391 1.685 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](CCC[NH3+])C1 ZINC000414754052 386392105 /nfs/dbraw/zinc/39/21/05/386392105.db2.gz FOGTYWQLMTZVAD-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP COC[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647891510 386394306 /nfs/dbraw/zinc/39/43/06/386394306.db2.gz KWWFUNDXIYMVKH-CQSZACIVSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CCn1cccn1)CC[NH2+]CC2 ZINC000335279662 386394665 /nfs/dbraw/zinc/39/46/65/386394665.db2.gz JMIOCHPKYOLJHP-CYBMUJFWSA-N 2 1 248.374 1.347 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCO1 ZINC000336732711 386403278 /nfs/dbraw/zinc/40/32/78/386403278.db2.gz FZYTUWRPYOMIOV-DGCLKSJQSA-N 2 1 224.348 1.405 20 0 BDADMP Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647991668 386420362 /nfs/dbraw/zinc/42/03/62/386420362.db2.gz XMZAKBCHDYBIOU-OCCSQVGLSA-N 2 1 248.374 1.557 20 0 BDADMP Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647991668 386420367 /nfs/dbraw/zinc/42/03/67/386420367.db2.gz XMZAKBCHDYBIOU-OCCSQVGLSA-N 2 1 248.374 1.557 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000415009699 386424925 /nfs/dbraw/zinc/42/49/25/386424925.db2.gz FOJBMTNAHXYUJO-MJBXVCDLSA-N 3 1 241.423 1.824 20 0 BDADMP CCN1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000415009699 386424929 /nfs/dbraw/zinc/42/49/29/386424929.db2.gz FOJBMTNAHXYUJO-MJBXVCDLSA-N 2 1 241.423 1.824 20 0 BDADMP CCC(O)(CC)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336733055 386436526 /nfs/dbraw/zinc/43/65/26/386436526.db2.gz ZXZINJHZKXEEMX-UHFFFAOYSA-N 2 1 240.391 1.754 20 0 BDADMP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000335365187 386477854 /nfs/dbraw/zinc/47/78/54/386477854.db2.gz ZCSLSGGQAOQCDP-CHWSQXEVSA-N 2 1 219.332 1.547 20 0 BDADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000417311117 386480491 /nfs/dbraw/zinc/48/04/91/386480491.db2.gz LIOJOSIWKPFDPI-AGIUHOORSA-N 2 1 242.407 1.713 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCOCC12CCCC2 ZINC000334625484 386482112 /nfs/dbraw/zinc/48/21/12/386482112.db2.gz NBOHERXGHTWBHP-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCOCC12CCCC2 ZINC000334625484 386482115 /nfs/dbraw/zinc/48/21/15/386482115.db2.gz NBOHERXGHTWBHP-CYBMUJFWSA-N 2 1 238.375 1.631 20 0 BDADMP CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000519555300 386492946 /nfs/dbraw/zinc/49/29/46/386492946.db2.gz RDEFSKRTKUGEBY-RYUDHWBXSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000519555300 386492953 /nfs/dbraw/zinc/49/29/53/386492953.db2.gz RDEFSKRTKUGEBY-RYUDHWBXSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000519555300 386492956 /nfs/dbraw/zinc/49/29/56/386492956.db2.gz RDEFSKRTKUGEBY-RYUDHWBXSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000519555300 386492962 /nfs/dbraw/zinc/49/29/62/386492962.db2.gz RDEFSKRTKUGEBY-RYUDHWBXSA-N 2 1 214.353 1.172 20 0 BDADMP C[NH+]1CCC([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000267172458 386504434 /nfs/dbraw/zinc/50/44/34/386504434.db2.gz AAUDLAVIKQYMND-OAHLLOKOSA-N 2 1 248.370 1.794 20 0 BDADMP Fc1ccc(/C=C\C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415050086 386506565 /nfs/dbraw/zinc/50/65/65/386506565.db2.gz BANCNDOLJUZICB-MXYPIGFFSA-N 2 1 232.302 1.646 20 0 BDADMP CC(C)(N)C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335448383 386517184 /nfs/dbraw/zinc/51/71/84/386517184.db2.gz PBHGRLNSBWUQQJ-NWDGAFQWSA-N 2 1 226.364 1.615 20 0 BDADMP Cc1ccncc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000135501847 386519328 /nfs/dbraw/zinc/51/93/28/386519328.db2.gz KZBNDMJJVTZQCZ-UHFFFAOYSA-N 2 1 233.359 1.821 20 0 BDADMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c(C)c1 ZINC000415034947 386522230 /nfs/dbraw/zinc/52/22/30/386522230.db2.gz IMYXAUFTKDUZIV-OAHLLOKOSA-N 2 1 248.370 1.772 20 0 BDADMP C[C@@H]1OCC[C@]1(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000336780162 386523228 /nfs/dbraw/zinc/52/32/28/386523228.db2.gz QPSFPMYUBBIAGJ-AVGNSLFASA-N 2 1 226.364 1.628 20 0 BDADMP Cc1cnc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000336721117 386455182 /nfs/dbraw/zinc/45/51/82/386455182.db2.gz ZCEHMZVZDUIGGN-UHFFFAOYSA-N 2 1 237.347 1.757 20 0 BDADMP CCn1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cn1 ZINC000414910847 386456423 /nfs/dbraw/zinc/45/64/23/386456423.db2.gz SURCWLQEONJZNJ-ZDUSSCGKSA-N 2 1 236.363 1.382 20 0 BDADMP Cc1ccnc(C[N@H+](C)CCCn2ccnc2)n1 ZINC000336724371 386456460 /nfs/dbraw/zinc/45/64/60/386456460.db2.gz ZZASVTPZAKPRAJ-UHFFFAOYSA-N 2 1 245.330 1.504 20 0 BDADMP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCC1 ZINC000336725446 386460616 /nfs/dbraw/zinc/46/06/16/386460616.db2.gz VBHICCBWMUFJOI-CQSZACIVSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCC1 ZINC000336725446 386460621 /nfs/dbraw/zinc/46/06/21/386460621.db2.gz VBHICCBWMUFJOI-CQSZACIVSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000336725446 386460627 /nfs/dbraw/zinc/46/06/27/386460627.db2.gz VBHICCBWMUFJOI-CQSZACIVSA-N 2 1 240.391 1.704 20 0 BDADMP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000336725446 386460631 /nfs/dbraw/zinc/46/06/31/386460631.db2.gz VBHICCBWMUFJOI-CQSZACIVSA-N 2 1 240.391 1.704 20 0 BDADMP C[C@H](N)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977596 386578151 /nfs/dbraw/zinc/57/81/51/386578151.db2.gz DXFXCNBRHWBVCH-YNEHKIRRSA-N 2 1 225.380 1.045 20 0 BDADMP C[C@H]([NH3+])CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977596 386578155 /nfs/dbraw/zinc/57/81/55/386578155.db2.gz DXFXCNBRHWBVCH-YNEHKIRRSA-N 2 1 225.380 1.045 20 0 BDADMP COCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978049 386578524 /nfs/dbraw/zinc/57/85/24/386578524.db2.gz LPLCNSTZSUGYPR-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343245316 386581774 /nfs/dbraw/zinc/58/17/74/386581774.db2.gz BUSUUASGNMBQRS-XQQFMLRXSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647905006 386583321 /nfs/dbraw/zinc/58/33/21/386583321.db2.gz DBJUDPFTICWRPT-GXTWGEPZSA-N 2 1 239.407 1.435 20 0 BDADMP C[C@H](C[NH3+])[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414922609 386596512 /nfs/dbraw/zinc/59/65/12/386596512.db2.gz CYQUDSRKCYOJFU-NWDGAFQWSA-N 2 1 206.333 1.802 20 0 BDADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000415044646 386531865 /nfs/dbraw/zinc/53/18/65/386531865.db2.gz SOSQIPNMBHCYIQ-JTQLQIEISA-N 2 1 242.363 1.306 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000063125164 386538894 /nfs/dbraw/zinc/53/88/94/386538894.db2.gz ADQXGNAIRKOYFD-CQSZACIVSA-N 3 1 239.407 1.260 20 0 BDADMP Cc1ncccc1C[NH2+][C@@H](CN)C(C)(C)C ZINC000415061169 386540102 /nfs/dbraw/zinc/54/01/02/386540102.db2.gz YCFQBYADCZGDMX-LBPRGKRZSA-N 2 1 221.348 1.853 20 0 BDADMP [NH3+]C[C@@H]([NH2+]C1CCSCC1)C1CCCC1 ZINC000415062265 386544989 /nfs/dbraw/zinc/54/49/89/386544989.db2.gz FCIYMPALOGBSLR-GFCCVEGCSA-N 2 1 228.405 1.989 20 0 BDADMP C[N@@H+](CCCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000415063533 386545260 /nfs/dbraw/zinc/54/52/60/386545260.db2.gz AAMSISMLHMKEFM-CYBMUJFWSA-N 2 1 228.380 1.598 20 0 BDADMP CC[N@H+]1CC[C@H](NCCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000415069194 386550322 /nfs/dbraw/zinc/55/03/22/386550322.db2.gz OHZICJQSATYZJC-JSGCOSHPSA-N 2 1 239.407 1.448 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000415069194 386550326 /nfs/dbraw/zinc/55/03/26/386550326.db2.gz OHZICJQSATYZJC-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000415069194 386550333 /nfs/dbraw/zinc/55/03/33/386550333.db2.gz OHZICJQSATYZJC-JSGCOSHPSA-N 3 1 239.407 1.448 20 0 BDADMP CCOC[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415067904 386550727 /nfs/dbraw/zinc/55/07/27/386550727.db2.gz LPBORQMXDBIGDQ-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP CCOC[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415067907 386552812 /nfs/dbraw/zinc/55/28/12/386552812.db2.gz LPBORQMXDBIGDQ-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP CC[C@@H]1C[N@@H+](CCCCCOC)CC[C@@H]1[NH3+] ZINC000647936817 386558242 /nfs/dbraw/zinc/55/82/42/386558242.db2.gz LUBLWSUXTWUTMC-OLZOCXBDSA-N 2 1 228.380 1.862 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415072053 386563681 /nfs/dbraw/zinc/56/36/81/386563681.db2.gz VFXHSUYHKDJVSS-GRYCIOLGSA-N 2 1 214.353 1.064 20 0 BDADMP CC[C@H](COC)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415074433 386566012 /nfs/dbraw/zinc/56/60/12/386566012.db2.gz PLCBMSZZGHTXKP-MNOVXSKESA-N 2 1 200.326 1.143 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000415074622 386566235 /nfs/dbraw/zinc/56/62/35/386566235.db2.gz DAOICYHHHPPGAF-CHWSQXEVSA-N 2 1 225.380 1.202 20 0 BDADMP CC[C@@H](COC)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415074435 386566752 /nfs/dbraw/zinc/56/67/52/386566752.db2.gz PLCBMSZZGHTXKP-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC000414794988 386569274 /nfs/dbraw/zinc/56/92/74/386569274.db2.gz UMRXENSFHNMGSD-MCIONIFRSA-N 3 1 239.407 1.578 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CNCC(C)(C)[NH3+] ZINC000415075422 386569518 /nfs/dbraw/zinc/56/95/18/386569518.db2.gz FGZHTTJDSLZFKJ-LLVKDONJSA-N 2 1 213.369 1.188 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+]CC(C)(C)[NH3+] ZINC000415075422 386569524 /nfs/dbraw/zinc/56/95/24/386569524.db2.gz FGZHTTJDSLZFKJ-LLVKDONJSA-N 2 1 213.369 1.188 20 0 BDADMP CC[N@H+]1CC[C@H](NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000414808908 386623429 /nfs/dbraw/zinc/62/34/29/386623429.db2.gz LJRWINHYWPHTCZ-OLZOCXBDSA-N 2 1 241.423 1.824 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000415126026 386628165 /nfs/dbraw/zinc/62/81/65/386628165.db2.gz LWDNJXXLLUKTKI-AAVRWANBSA-N 3 1 239.407 1.291 20 0 BDADMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414815128 386648699 /nfs/dbraw/zinc/64/86/99/386648699.db2.gz ZZSLGFRSIUDVQK-CYBMUJFWSA-N 2 1 204.317 1.822 20 0 BDADMP Cc1cccnc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415081788 386599655 /nfs/dbraw/zinc/59/96/55/386599655.db2.gz NLMOCPLXXCDGJN-CYBMUJFWSA-N 2 1 219.332 1.479 20 0 BDADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000414801835 386602472 /nfs/dbraw/zinc/60/24/72/386602472.db2.gz MIEVBNZTVPWAKO-PSASIEDQSA-N 2 1 244.289 1.495 20 0 BDADMP Cc1cc(F)ccc1C[NH2+]CC(C)(C)[NH3+] ZINC000414802113 386602483 /nfs/dbraw/zinc/60/24/83/386602483.db2.gz KBFHAZDMEKKACU-UHFFFAOYSA-N 2 1 210.296 1.961 20 0 BDADMP C[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414925875 386661397 /nfs/dbraw/zinc/66/13/97/386661397.db2.gz KFQQALJRFOIFII-LPWJVIDDSA-N 2 1 226.364 1.389 20 0 BDADMP Cc1c[nH+]ccc1N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000366513273 386667914 /nfs/dbraw/zinc/66/79/14/386667914.db2.gz ZLUPLRNSXZDDQY-ZDUSSCGKSA-N 2 1 249.358 1.283 20 0 BDADMP Cc1noc([C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000647951276 386658081 /nfs/dbraw/zinc/65/80/81/386658081.db2.gz UXZFFTDJGGDTMG-MWLCHTKSSA-N 2 1 238.335 1.500 20 0 BDADMP [NH3+]CCOCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000357070919 386709918 /nfs/dbraw/zinc/70/99/18/386709918.db2.gz IZXXVLPPEZKWMW-OAHLLOKOSA-N 2 1 248.370 1.526 20 0 BDADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414927187 386683632 /nfs/dbraw/zinc/68/36/32/386683632.db2.gz LNZQHFRTDQMCFL-SRVKXCTJSA-N 2 1 226.364 1.532 20 0 BDADMP C[N@@H+](CCCF)CCC[NH+]1CCCC1 ZINC000337282023 386698438 /nfs/dbraw/zinc/69/84/38/386698438.db2.gz WXQDKBWGXKHPRJ-UHFFFAOYSA-N 2 1 202.317 1.764 20 0 BDADMP Cc1cn[nH]c1CNC1CC[NH+](C2CCC2)CC1 ZINC000352843120 386703805 /nfs/dbraw/zinc/70/38/05/386703805.db2.gz XQLXFHXHCWAWPA-UHFFFAOYSA-N 2 1 248.374 1.825 20 0 BDADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCOCC[NH3+] ZINC000357068166 386706287 /nfs/dbraw/zinc/70/62/87/386706287.db2.gz DKMIEJZDGVGLDH-FRRDWIJNSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000414837543 386735714 /nfs/dbraw/zinc/73/57/14/386735714.db2.gz XVDLSALFELSMLV-SNVBAGLBSA-N 2 1 210.296 1.566 20 0 BDADMP C[NH2+]CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414835698 386727638 /nfs/dbraw/zinc/72/76/38/386727638.db2.gz VOJQXWIJZIYFDL-LBPRGKRZSA-N 2 1 206.333 1.674 20 0 BDADMP Cn1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1=O ZINC000647964946 386747740 /nfs/dbraw/zinc/74/77/40/386747740.db2.gz QOEIGAUKYYASED-CYBMUJFWSA-N 2 1 249.358 1.089 20 0 BDADMP CNCc1noc([C@@H]([NH3+])CC2CCCCC2)n1 ZINC000414497525 386751251 /nfs/dbraw/zinc/75/12/51/386751251.db2.gz GBFUVBQXFUHYPO-JTQLQIEISA-N 2 1 238.335 1.759 20 0 BDADMP CNCc1noc([C@H]([NH3+])CC2CCCCC2)n1 ZINC000414497527 386751704 /nfs/dbraw/zinc/75/17/04/386751704.db2.gz GBFUVBQXFUHYPO-SNVBAGLBSA-N 2 1 238.335 1.759 20 0 BDADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000425940118 386753379 /nfs/dbraw/zinc/75/33/79/386753379.db2.gz VXJPTDPYBVOKSK-MCIONIFRSA-N 2 1 241.423 1.504 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000425940118 386753385 /nfs/dbraw/zinc/75/33/85/386753385.db2.gz VXJPTDPYBVOKSK-MCIONIFRSA-N 3 1 241.423 1.504 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000425940118 386753390 /nfs/dbraw/zinc/75/33/90/386753390.db2.gz VXJPTDPYBVOKSK-MCIONIFRSA-N 3 1 241.423 1.504 20 0 BDADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000414931095 386757180 /nfs/dbraw/zinc/75/71/80/386757180.db2.gz QSAYXGUNVKUDRT-NWDGAFQWSA-N 2 1 236.359 1.953 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc(N)s1 ZINC000340714789 386760136 /nfs/dbraw/zinc/76/01/36/386760136.db2.gz ZYBGMYSFCCVOBI-JTQLQIEISA-N 2 1 242.392 1.361 20 0 BDADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc(N)s1 ZINC000340714789 386760144 /nfs/dbraw/zinc/76/01/44/386760144.db2.gz ZYBGMYSFCCVOBI-JTQLQIEISA-N 2 1 242.392 1.361 20 0 BDADMP CN(C)c1cc(NC(=O)[C@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000269255298 386767375 /nfs/dbraw/zinc/76/73/75/386767375.db2.gz JIOOHNTUARESIS-CYBMUJFWSA-N 2 1 248.330 1.086 20 0 BDADMP CCNCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414839301 386741721 /nfs/dbraw/zinc/74/17/21/386741721.db2.gz FWYFSFCYBVOKEW-TUAOUCFPSA-N 2 1 224.348 1.143 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414839301 386741729 /nfs/dbraw/zinc/74/17/29/386741729.db2.gz FWYFSFCYBVOKEW-TUAOUCFPSA-N 2 1 224.348 1.143 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000396560534 386774798 /nfs/dbraw/zinc/77/47/98/386774798.db2.gz JUNMTEKUMKZARE-QJPTWQEYSA-N 2 1 212.337 1.286 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(F)(F)C[NH3+] ZINC000414935353 386806925 /nfs/dbraw/zinc/80/69/25/386806925.db2.gz VMYJUVHWFSPXDP-MNOVXSKESA-N 2 1 249.349 1.481 20 0 BDADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417864954 386808442 /nfs/dbraw/zinc/80/84/42/386808442.db2.gz BUCZTVJHTCFGGL-STQMWFEESA-N 2 1 240.391 1.875 20 0 BDADMP Cc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000414935873 386826308 /nfs/dbraw/zinc/82/63/08/386826308.db2.gz UTIKIPYWKOLSDX-WFASDCNBSA-N 2 1 247.386 1.910 20 0 BDADMP Cc1cnc(CNC[C@H]2CC[N@H+](C3CC3)C2)n1C ZINC000341091324 386838159 /nfs/dbraw/zinc/83/81/59/386838159.db2.gz KYJSYAFLHJPQNL-GFCCVEGCSA-N 2 1 248.374 1.302 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)n1 ZINC000334783720 386841595 /nfs/dbraw/zinc/84/15/95/386841595.db2.gz AEOMBPUXOOANQE-DGCLKSJQSA-N 2 1 233.359 1.868 20 0 BDADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414937255 386845566 /nfs/dbraw/zinc/84/55/66/386845566.db2.gz VIWSPWQTTYLDIY-SYQHCUMBSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]CCSCc1ccccc1 ZINC000414937574 386848132 /nfs/dbraw/zinc/84/81/32/386848132.db2.gz DDPIPMIYDKSQPA-NSHDSACASA-N 2 1 224.373 1.857 20 0 BDADMP N[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000331604048 386875098 /nfs/dbraw/zinc/87/50/98/386875098.db2.gz OJRNEHATODVNRW-PKIAMQTDSA-N 2 1 245.370 1.848 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2ccccc21 ZINC000331604038 386875126 /nfs/dbraw/zinc/87/51/26/386875126.db2.gz OJRNEHATODVNRW-BAESOJJISA-N 2 1 245.370 1.848 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000334838268 386880551 /nfs/dbraw/zinc/88/05/51/386880551.db2.gz SEJJWEMECLNKQZ-CYBMUJFWSA-N 2 1 239.407 1.448 20 0 BDADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000334837939 386880790 /nfs/dbraw/zinc/88/07/90/386880790.db2.gz PQAPIXSVDKWUDG-NEPJUHHUSA-N 2 1 225.380 1.058 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443055688 386913518 /nfs/dbraw/zinc/91/35/18/386913518.db2.gz BHSSTHAEJYYWRN-CYBMUJFWSA-N 2 1 228.380 1.862 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358250171 386920166 /nfs/dbraw/zinc/92/01/66/386920166.db2.gz LBQVNFMATMODFK-IHRRRGAJSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358250171 386920170 /nfs/dbraw/zinc/92/01/70/386920170.db2.gz LBQVNFMATMODFK-IHRRRGAJSA-N 2 1 240.391 1.467 20 0 BDADMP C(C1CC1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334867937 386925634 /nfs/dbraw/zinc/92/56/34/386925634.db2.gz GCUOVKSPYUMVSQ-STQMWFEESA-N 2 1 208.349 1.860 20 0 BDADMP Cn1cncc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334868838 386928954 /nfs/dbraw/zinc/92/89/54/386928954.db2.gz MRBBTPSOXZPVBJ-JSGCOSHPSA-N 2 1 248.374 1.384 20 0 BDADMP Cn1cncc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334868838 386928958 /nfs/dbraw/zinc/92/89/58/386928958.db2.gz MRBBTPSOXZPVBJ-JSGCOSHPSA-N 2 1 248.374 1.384 20 0 BDADMP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000334873137 386935593 /nfs/dbraw/zinc/93/55/93/386935593.db2.gz HIOFYIXMNPSIGO-OLZOCXBDSA-N 3 1 225.380 1.108 20 0 BDADMP Cc1ccsc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000399477943 386963407 /nfs/dbraw/zinc/96/34/07/386963407.db2.gz OTLXHQNRRUAPCB-SNVBAGLBSA-N 2 1 210.346 1.883 20 0 BDADMP CCC(CC)[C@H](C[NH2+][C@H](C)CC(N)=O)[NH+](C)C ZINC000341898541 386996652 /nfs/dbraw/zinc/99/66/52/386996652.db2.gz MDGPVKQQDKQPQV-PWSUYJOCSA-N 2 1 243.395 1.206 20 0 BDADMP Cc1cc(N(C)C[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC000334970267 387054458 /nfs/dbraw/zinc/05/44/58/387054458.db2.gz SZNHNPLJAFTFCO-CYBMUJFWSA-N 2 1 219.332 1.920 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000369595540 387054873 /nfs/dbraw/zinc/05/48/73/387054873.db2.gz DJNDZNUWJZGRMW-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000369595540 387054877 /nfs/dbraw/zinc/05/48/77/387054877.db2.gz DJNDZNUWJZGRMW-LBPRGKRZSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@]1(F)CNCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000334971547 387056113 /nfs/dbraw/zinc/05/61/13/387056113.db2.gz IWFXAUMUCXVTFP-ZDUSSCGKSA-N 3 1 243.370 1.010 20 0 BDADMP C[C@]1(F)C[NH2+]CCN(CCC2CC[NH2+]CC2)C1 ZINC000334971547 387056119 /nfs/dbraw/zinc/05/61/19/387056119.db2.gz IWFXAUMUCXVTFP-ZDUSSCGKSA-N 3 1 243.370 1.010 20 0 BDADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000228005821 387060220 /nfs/dbraw/zinc/06/02/20/387060220.db2.gz RJKVOZAPLVWICN-GFCCVEGCSA-N 2 1 243.395 1.065 20 0 BDADMP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000336765563 387078815 /nfs/dbraw/zinc/07/88/15/387078815.db2.gz OIBUBLUBOBTRJN-HSBHDXMMSA-N 2 1 226.364 1.387 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC000228474928 387089046 /nfs/dbraw/zinc/08/90/46/387089046.db2.gz YCCNZERKOYRNLI-BFHYXJOUSA-N 2 1 238.375 1.472 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000160571909 387105754 /nfs/dbraw/zinc/10/57/54/387105754.db2.gz UIPRNJNAECUJFO-UWVGGRQHSA-N 2 1 210.346 1.917 20 0 BDADMP CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000397243691 387109110 /nfs/dbraw/zinc/10/91/10/387109110.db2.gz SNWCORYAFJBABM-RDBSUJKOSA-N 2 1 240.391 1.466 20 0 BDADMP CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397243691 387109113 /nfs/dbraw/zinc/10/91/13/387109113.db2.gz SNWCORYAFJBABM-RDBSUJKOSA-N 2 1 240.391 1.466 20 0 BDADMP CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CC1(C)C)C1CC1 ZINC000352365141 387113649 /nfs/dbraw/zinc/11/36/49/387113649.db2.gz NOHDYTIHTFZISF-VXGBXAGGSA-N 2 1 226.364 1.172 20 0 BDADMP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335029219 387122248 /nfs/dbraw/zinc/12/22/48/387122248.db2.gz GYNLAMSIEATLLI-UKRRQHHQSA-N 2 1 246.354 1.642 20 0 BDADMP Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H]2[NH3+])cn1 ZINC000335028695 387122617 /nfs/dbraw/zinc/12/26/17/387122617.db2.gz YUYLERONAYHDKK-OLZOCXBDSA-N 2 1 219.332 1.668 20 0 BDADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423298828 387129886 /nfs/dbraw/zinc/12/98/86/387129886.db2.gz ASJDRNRWAHJXIA-MRVPVSSYSA-N 2 1 226.270 1.835 20 0 BDADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423308877 387144137 /nfs/dbraw/zinc/14/41/37/387144137.db2.gz KFHLORFQEULZTD-RYUDHWBXSA-N 2 1 213.369 1.058 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000423323008 387163929 /nfs/dbraw/zinc/16/39/29/387163929.db2.gz JETCSRWPZIOXDC-VXGBXAGGSA-N 2 1 244.342 1.870 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000423322553 387164264 /nfs/dbraw/zinc/16/42/64/387164264.db2.gz IUCIAFIZTDETKL-GHMZBOCLSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000423328393 387170978 /nfs/dbraw/zinc/17/09/78/387170978.db2.gz DNTNQJYBNABPAV-RDBSUJKOSA-N 3 1 239.407 1.483 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])C12CCCC2 ZINC000423327530 387171041 /nfs/dbraw/zinc/17/10/41/387171041.db2.gz NJLTZGNLRMHOSQ-IJLUTSLNSA-N 2 1 226.364 1.661 20 0 BDADMP COc1cccc2c1CC[C@H]2[NH2+][C@H](C)C[NH3+] ZINC000423329204 387171754 /nfs/dbraw/zinc/17/17/54/387171754.db2.gz OQOQBVGKCIPATB-BXKDBHETSA-N 2 1 220.316 1.619 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](CCO)C(C)(C)C)CC1 ZINC000229576791 387172800 /nfs/dbraw/zinc/17/28/00/387172800.db2.gz NSBNNVYERCHKBY-ZDUSSCGKSA-N 2 1 242.407 1.857 20 0 BDADMP C[N@@H+]1CCCC12CC[NH+](CCCF)CC2 ZINC000336345649 387174455 /nfs/dbraw/zinc/17/44/55/387174455.db2.gz OALKVRRODJQUBL-UHFFFAOYSA-N 2 1 214.328 1.906 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](CCCF)CC2 ZINC000336345649 387174460 /nfs/dbraw/zinc/17/44/60/387174460.db2.gz OALKVRRODJQUBL-UHFFFAOYSA-N 2 1 214.328 1.906 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330256 387176363 /nfs/dbraw/zinc/17/63/63/387176363.db2.gz BQUVRNYAAJQDMF-OCCSQVGLSA-N 3 1 237.391 1.226 20 0 BDADMP CCN1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000423330256 387176365 /nfs/dbraw/zinc/17/63/65/387176365.db2.gz BQUVRNYAAJQDMF-OCCSQVGLSA-N 2 1 237.391 1.226 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423332661 387179362 /nfs/dbraw/zinc/17/93/62/387179362.db2.gz QXQFIUMBDQJVHY-FDYHWXHSSA-N 2 1 226.364 1.519 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423337787 387185776 /nfs/dbraw/zinc/18/57/76/387185776.db2.gz VRGAWXBGKIAUSQ-RISCZKNCSA-N 2 1 218.344 1.945 20 0 BDADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423336959 387186423 /nfs/dbraw/zinc/18/64/23/387186423.db2.gz UXEBRIJZOOHRKQ-NWDGAFQWSA-N 2 1 221.348 1.730 20 0 BDADMP CCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371301999 387188987 /nfs/dbraw/zinc/18/89/87/387188987.db2.gz XGVPZUJKJLHMQC-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCC2)[C@@H]2CCC[C@H]21 ZINC000423341202 387189396 /nfs/dbraw/zinc/18/93/96/387189396.db2.gz XUHMNGRVKFSCSH-RWMBFGLXSA-N 2 1 237.391 1.330 20 0 BDADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(F)c1 ZINC000423302135 387135087 /nfs/dbraw/zinc/13/50/87/387135087.db2.gz IUWLKPYULLCGPY-VIFPVBQESA-N 2 1 208.280 1.696 20 0 BDADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423304115 387138247 /nfs/dbraw/zinc/13/82/47/387138247.db2.gz JXJYTCVCKOJLET-YIYPIFLZSA-N 3 1 239.407 1.482 20 0 BDADMP COC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000423355037 387205761 /nfs/dbraw/zinc/20/57/61/387205761.db2.gz DTYZFRJCJLXCDZ-SRVKXCTJSA-N 2 1 214.353 1.245 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000300415037 387207977 /nfs/dbraw/zinc/20/79/77/387207977.db2.gz RLKXJAFINOQZOV-DHGKCCLASA-N 2 1 240.391 1.872 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C12CCC2 ZINC000423359175 387209866 /nfs/dbraw/zinc/20/98/66/387209866.db2.gz CTYOPRYSXAKACQ-DCAQKATOSA-N 2 1 212.337 1.271 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423360680 387212866 /nfs/dbraw/zinc/21/28/66/387212866.db2.gz GDYSCGZHHLSZPZ-MWODSPESSA-N 2 1 222.307 1.996 20 0 BDADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C[NH3+])C1(CC)CC ZINC000423360677 387213976 /nfs/dbraw/zinc/21/39/76/387213976.db2.gz GDWOLBIZHJALJN-SRVKXCTJSA-N 2 1 228.380 1.907 20 0 BDADMP C[C@@H](C[NH3+])N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423362875 387215437 /nfs/dbraw/zinc/21/54/37/387215437.db2.gz ILEDWMWURYAKEZ-YDHLFZDLSA-N 2 1 247.386 1.586 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000423366930 387218248 /nfs/dbraw/zinc/21/82/48/387218248.db2.gz LWFDRPCKKUJJGK-HBNTYKKESA-N 2 1 222.336 1.341 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000423366928 387218482 /nfs/dbraw/zinc/21/84/82/387218482.db2.gz LWFDRPCKKUJJGK-DCAQKATOSA-N 2 1 222.336 1.341 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423367343 387218718 /nfs/dbraw/zinc/21/87/18/387218718.db2.gz MEYLSLJUEXQJBB-IRCOFANPSA-N 2 1 224.348 1.271 20 0 BDADMP C[C@@H](C[NH3+])[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000423369322 387221600 /nfs/dbraw/zinc/22/16/00/387221600.db2.gz OHHAJYIUWHCVFB-OUJBWJOFSA-N 2 1 204.317 1.857 20 0 BDADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353533239 387223216 /nfs/dbraw/zinc/22/32/16/387223216.db2.gz XVVNQXDNVQUUJE-AAVRWANBSA-N 2 1 240.391 1.466 20 0 BDADMP C(CN1CC[N@H+]2CCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000094461257 387224300 /nfs/dbraw/zinc/22/43/00/387224300.db2.gz ZNMXEVCGPFSLSR-AWEZNQCLSA-N 2 1 237.391 1.156 20 0 BDADMP COCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423373237 387230295 /nfs/dbraw/zinc/23/02/95/387230295.db2.gz WMPYEBJGGBBJDW-SDDRHHMPSA-N 2 1 214.353 1.389 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000336409219 387238080 /nfs/dbraw/zinc/23/80/80/387238080.db2.gz JBAQKASGQFDHIG-DGCLKSJQSA-N 2 1 224.348 1.097 20 0 BDADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCOC[C@@H]1C1CC1 ZINC000336409219 387238084 /nfs/dbraw/zinc/23/80/84/387238084.db2.gz JBAQKASGQFDHIG-DGCLKSJQSA-N 2 1 224.348 1.097 20 0 BDADMP C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000423420664 387248841 /nfs/dbraw/zinc/24/88/41/387248841.db2.gz JMRBZCUKFVNRRT-SYQHCUMBSA-N 2 1 239.407 1.482 20 0 BDADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn[nH]c1 ZINC000285192421 387249899 /nfs/dbraw/zinc/24/98/99/387249899.db2.gz NRVOWZMMKKORGN-JTQLQIEISA-N 2 1 220.320 1.322 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423466484 387315804 /nfs/dbraw/zinc/31/58/04/387315804.db2.gz AQGCKFVVEMJDQP-UPJWGTAASA-N 3 1 225.380 1.106 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423381198 387263322 /nfs/dbraw/zinc/26/33/22/387263322.db2.gz HUWISPHXPYPVFV-QJPTWQEYSA-N 2 1 228.380 1.778 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000352504968 387267896 /nfs/dbraw/zinc/26/78/96/387267896.db2.gz WPNJFHDMDUBDMD-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000352504968 387267900 /nfs/dbraw/zinc/26/79/00/387267900.db2.gz WPNJFHDMDUBDMD-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP CC[NH2+][C@H](C)CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423385213 387268303 /nfs/dbraw/zinc/26/83/03/387268303.db2.gz QQBNQVDZHPPKJD-UTUOFQBUSA-N 2 1 225.380 1.199 20 0 BDADMP CC[NH2+][C@H](C)CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423383500 387268466 /nfs/dbraw/zinc/26/84/66/387268466.db2.gz PGPWBMCQLUOPAM-NQBHXWOUSA-N 2 1 225.380 1.057 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000352504965 387268711 /nfs/dbraw/zinc/26/87/11/387268711.db2.gz WPNJFHDMDUBDMD-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000352504965 387268714 /nfs/dbraw/zinc/26/87/14/387268714.db2.gz WPNJFHDMDUBDMD-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000423386092 387271818 /nfs/dbraw/zinc/27/18/18/387271818.db2.gz RDNCNVSLBZOZIN-FQUUOJAGSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(-n2ccnn2)c1 ZINC000423388782 387274372 /nfs/dbraw/zinc/27/43/72/387274372.db2.gz IUCIAFIZTDETKL-WDEREUQCSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000423390692 387275529 /nfs/dbraw/zinc/27/55/29/387275529.db2.gz KEMNOLPVDIFXGG-DGTMBMJNSA-N 2 1 239.407 1.445 20 0 BDADMP C[NH2+]CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000643498520 387276674 /nfs/dbraw/zinc/27/66/74/387276674.db2.gz PHWMBUFPIUAFNP-GFCCVEGCSA-N 2 1 219.332 1.658 20 0 BDADMP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431122 387280790 /nfs/dbraw/zinc/28/07/90/387280790.db2.gz LJGSNLDMDAIJBX-XZUYRWCXSA-N 2 1 234.368 1.933 20 0 BDADMP CC[NH2+]CCC[NH2+][C@H](C)c1cccnc1 ZINC000643499085 387284705 /nfs/dbraw/zinc/28/47/05/387284705.db2.gz RSBOJNQVPXLUMT-LLVKDONJSA-N 2 1 207.321 1.732 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000423431992 387284951 /nfs/dbraw/zinc/28/49/51/387284951.db2.gz MECGEOXRCYJBGP-FRRDWIJNSA-N 2 1 227.396 1.754 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cnn(C)c1 ZINC000423437653 387288566 /nfs/dbraw/zinc/28/85/66/387288566.db2.gz GKFTXJFSYCCFMH-YWVKMMECSA-N 2 1 210.325 1.197 20 0 BDADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1N(C)C ZINC000423440050 387290592 /nfs/dbraw/zinc/29/05/92/387290592.db2.gz SWGXAVVFIXTNRX-MUYACECFSA-N 2 1 245.370 1.621 20 0 BDADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)no1 ZINC000459790985 387297502 /nfs/dbraw/zinc/29/75/02/387297502.db2.gz RIFBNAAQFFGNPN-LBPRGKRZSA-N 2 1 237.347 1.805 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423455589 387304750 /nfs/dbraw/zinc/30/47/50/387304750.db2.gz MQTIUKDALPWDGA-RQJABVFESA-N 3 1 239.407 1.576 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000423455589 387304755 /nfs/dbraw/zinc/30/47/55/387304755.db2.gz MQTIUKDALPWDGA-RQJABVFESA-N 2 1 239.407 1.576 20 0 BDADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423458351 387306221 /nfs/dbraw/zinc/30/62/21/387306221.db2.gz GSNUNOHRVSAPDS-LOWDOPEQSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423459013 387307113 /nfs/dbraw/zinc/30/71/13/387307113.db2.gz QWMVNVWTQLXZJA-VRCFELQOSA-N 2 1 246.329 1.866 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000160579699 387308855 /nfs/dbraw/zinc/30/88/55/387308855.db2.gz UNGGKDNKPBTEKU-KOLCDFICSA-N 2 1 210.346 1.917 20 0 BDADMP CCn1cc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000423524714 387356345 /nfs/dbraw/zinc/35/63/45/387356345.db2.gz JXNPVKBUDQSBPR-NSHDSACASA-N 2 1 236.363 1.696 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502353 387364432 /nfs/dbraw/zinc/36/44/32/387364432.db2.gz DHXJOVUFVZAICR-NEPJUHHUSA-N 3 1 213.369 1.236 20 0 BDADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423541185 387365638 /nfs/dbraw/zinc/36/56/38/387365638.db2.gz FIRTWWLCBPEPRT-UMSGYPCISA-N 2 1 226.364 1.532 20 0 BDADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502645 387365841 /nfs/dbraw/zinc/36/58/41/387365841.db2.gz MFOXJNBYEUJQBO-MJBXVCDLSA-N 2 1 240.391 1.923 20 0 BDADMP CC[N@@H+]1C[C@H](N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000423542910 387367338 /nfs/dbraw/zinc/36/73/38/387367338.db2.gz BKUZAMIDBJSDFE-XQQFMLRXSA-N 2 1 225.380 1.058 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](C)(O)CC1 ZINC000373430793 387367293 /nfs/dbraw/zinc/36/72/93/387367293.db2.gz ILYKGJVBOSRWDI-AWEZNQCLSA-N 2 1 242.407 1.955 20 0 BDADMP COC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CC1 ZINC000423544397 387368667 /nfs/dbraw/zinc/36/86/67/387368667.db2.gz CXQYRYBJYNXWTQ-NWDGAFQWSA-N 2 1 212.337 1.143 20 0 BDADMP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423561037 387376268 /nfs/dbraw/zinc/37/62/68/387376268.db2.gz PMFUZUXILWIALK-YPMHNXCESA-N 2 1 222.332 1.942 20 0 BDADMP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000515404012 387377615 /nfs/dbraw/zinc/37/76/15/387377615.db2.gz BAHJPRZVEJJVCS-NXEZZACHSA-N 2 1 208.305 1.693 20 0 BDADMP [NH3+][C@@H]1C[C@H](NCC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392502 387380536 /nfs/dbraw/zinc/38/05/36/387380536.db2.gz UNFYBORIWVNHJB-CABCVRRESA-N 2 1 243.354 1.641 20 0 BDADMP [NH3+][C@H]1C[C@@H](NCC2=CC[NH2+]CC2)c2ccccc21 ZINC000572392505 387381451 /nfs/dbraw/zinc/38/14/51/387381451.db2.gz UNFYBORIWVNHJB-LSDHHAIUSA-N 2 1 243.354 1.641 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462773 387320792 /nfs/dbraw/zinc/32/07/92/387320792.db2.gz LBHJWBZPUBIVIB-GVXVVHGQSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000643462773 387320797 /nfs/dbraw/zinc/32/07/97/387320797.db2.gz LBHJWBZPUBIVIB-GVXVVHGQSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462910 387321229 /nfs/dbraw/zinc/32/12/29/387321229.db2.gz YFGKGOTXMRPPDA-UBHSHLNASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462871 387321420 /nfs/dbraw/zinc/32/14/20/387321420.db2.gz PXONHHBTUQVDBE-BNOWGMLFSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462874 387322148 /nfs/dbraw/zinc/32/21/48/387322148.db2.gz PXONHHBTUQVDBE-XBFCOCLRSA-N 2 1 237.391 1.058 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462673 387326215 /nfs/dbraw/zinc/32/62/15/387326215.db2.gz CRQYTDWASGZAAP-IHRRRGAJSA-N 2 1 237.391 1.188 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000643462673 387326220 /nfs/dbraw/zinc/32/62/20/387326220.db2.gz CRQYTDWASGZAAP-IHRRRGAJSA-N 2 1 237.391 1.188 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000354148597 387336347 /nfs/dbraw/zinc/33/63/47/387336347.db2.gz YBHYIDWGSXZZSM-MGPQQGTHSA-N 2 1 240.391 1.733 20 0 BDADMP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423502629 387343801 /nfs/dbraw/zinc/34/38/01/387343801.db2.gz FDZTZQGLBIJUQJ-HZSPNIEDSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)CCO1 ZINC000423516926 387349530 /nfs/dbraw/zinc/34/95/30/387349530.db2.gz YICDQTFUOWBOEW-KGYLQXTDSA-N 2 1 226.364 1.661 20 0 BDADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cncs1 ZINC000423515523 387350318 /nfs/dbraw/zinc/35/03/18/387350318.db2.gz ADBRUBZDGPIRAR-VIFPVBQESA-N 2 1 225.361 1.936 20 0 BDADMP CC1(C)[C@H]([NH2+]CC[NH2+]C2CC2)[C@H]2CCCO[C@H]21 ZINC000643506804 387461891 /nfs/dbraw/zinc/46/18/91/387461891.db2.gz JHDJWWRTWPLLBQ-JHJVBQTASA-N 2 1 238.375 1.532 20 0 BDADMP CCC1(C)CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000361215060 387418247 /nfs/dbraw/zinc/41/82/47/387418247.db2.gz HQXDJMIXZFVEIV-ROKHWSDSSA-N 2 1 242.407 1.857 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000643475316 387509286 /nfs/dbraw/zinc/50/92/86/387509286.db2.gz FWZTYKXXSMZOLL-WUHRBBMRSA-N 2 1 226.364 1.532 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192796163 387536643 /nfs/dbraw/zinc/53/66/43/387536643.db2.gz BIOQTTJBFYCJEW-YNEHKIRRSA-N 2 1 240.391 1.610 20 0 BDADMP CC[N@H+]1CC[C@@H](NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000643506290 387465613 /nfs/dbraw/zinc/46/56/13/387465613.db2.gz QZFWTWMABQTAOI-WCQYABFASA-N 2 1 225.380 1.058 20 0 BDADMP Cc1occc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643472340 387484716 /nfs/dbraw/zinc/48/47/16/387484716.db2.gz YSEAWXSPWFGEPF-FUNVUKJBSA-N 2 1 220.316 1.961 20 0 BDADMP CCC1(O)CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000643474198 387489587 /nfs/dbraw/zinc/48/95/87/387489587.db2.gz NHMKRRRDZUILEO-NELGMTEASA-N 2 1 240.391 1.658 20 0 BDADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375851003 387587759 /nfs/dbraw/zinc/58/77/59/387587759.db2.gz KJUVZUYVYPQCMD-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375851003 387587764 /nfs/dbraw/zinc/58/77/64/387587764.db2.gz KJUVZUYVYPQCMD-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375851003 387587769 /nfs/dbraw/zinc/58/77/69/387587769.db2.gz KJUVZUYVYPQCMD-MGPQQGTHSA-N 3 1 239.407 1.401 20 0 BDADMP CCCC[N@@H+](C)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422714374 387628576 /nfs/dbraw/zinc/62/85/76/387628576.db2.gz QUURTEDEZQRGOY-KBPBESRZSA-N 2 1 241.423 1.839 20 0 BDADMP CC(C)[C@@H](N)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643511630 387593490 /nfs/dbraw/zinc/59/34/90/387593490.db2.gz PLOALQUSLJYSNK-YPMHNXCESA-N 2 1 227.396 1.290 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000643513657 387597798 /nfs/dbraw/zinc/59/77/98/387597798.db2.gz WVFGYIOJSFRLOG-VIFPVBQESA-N 2 1 224.352 1.886 20 0 BDADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422558481 387600800 /nfs/dbraw/zinc/60/08/00/387600800.db2.gz AUVLXBDILNYKNZ-RQJABVFESA-N 3 1 239.407 1.291 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000422558481 387600804 /nfs/dbraw/zinc/60/08/04/387600804.db2.gz AUVLXBDILNYKNZ-RQJABVFESA-N 3 1 239.407 1.291 20 0 BDADMP CC[N@H+]1CC[C@@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422695587 387613805 /nfs/dbraw/zinc/61/38/05/387613805.db2.gz QAVVDMFQRATZKP-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CCCCO1)c1c[nH+]ccc1N ZINC000422701024 387614801 /nfs/dbraw/zinc/61/48/01/387614801.db2.gz HVVKVIFPCNIXRG-QWRGUYRKSA-N 2 1 235.331 1.714 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCCO1)[C@H]1CCCC[NH2+]1 ZINC000422699704 387615618 /nfs/dbraw/zinc/61/56/18/387615618.db2.gz DWJPACUSQAXIRU-FRRDWIJNSA-N 2 1 226.364 1.676 20 0 BDADMP CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422709677 387622161 /nfs/dbraw/zinc/62/21/61/387622161.db2.gz ZOEIHLXNVLFOSA-UTUOFQBUSA-N 2 1 241.379 1.021 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@@H+]1C ZINC000361982562 387557957 /nfs/dbraw/zinc/55/79/57/387557957.db2.gz RJKVJBSYUMXYAX-KGYLQXTDSA-N 2 1 248.374 1.339 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@H+]1C ZINC000361982562 387557962 /nfs/dbraw/zinc/55/79/62/387557962.db2.gz RJKVJBSYUMXYAX-KGYLQXTDSA-N 2 1 248.374 1.339 20 0 BDADMP CC[C@H]1C[C@H](C[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000355682811 387566496 /nfs/dbraw/zinc/56/64/96/387566496.db2.gz MHVWGNLPXJOPPG-OCCSQVGLSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388568 387628001 /nfs/dbraw/zinc/62/80/01/387628001.db2.gz KNFMDVXQAAPECS-CQSZACIVSA-N 3 1 241.423 1.633 20 0 BDADMP C[C@](C[NH3+])([NH2+]CCc1ccccc1)C1CC1 ZINC000430583746 387629799 /nfs/dbraw/zinc/62/97/99/387629799.db2.gz NEDMMHMPSSRZSK-CQSZACIVSA-N 2 1 218.344 1.946 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H](O)[C@@H](C)CC)[C@@H]1CCC[NH2+]1 ZINC000422718268 387630257 /nfs/dbraw/zinc/63/02/57/387630257.db2.gz WVSWJMDQARLFSC-QNWHQSFQSA-N 2 1 228.380 1.514 20 0 BDADMP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000422735975 387642751 /nfs/dbraw/zinc/64/27/51/387642751.db2.gz FRONCIKYHXQGFU-GARJFASQSA-N 2 1 213.369 1.185 20 0 BDADMP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N(C)C1CC1 ZINC000422735975 387642756 /nfs/dbraw/zinc/64/27/56/387642756.db2.gz FRONCIKYHXQGFU-GARJFASQSA-N 2 1 213.369 1.185 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000422736204 387643443 /nfs/dbraw/zinc/64/34/43/387643443.db2.gz FUNBVIIKPGWEGQ-NEPJUHHUSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000422736320 387643599 /nfs/dbraw/zinc/64/35/99/387643599.db2.gz VXGBTNLSKIMGIB-GRYCIOLGSA-N 2 1 212.337 1.001 20 0 BDADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000422739855 387645774 /nfs/dbraw/zinc/64/57/74/387645774.db2.gz MAWYYMCSQXKWNT-QWHCGFSZSA-N 2 1 225.380 1.330 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)CC(C)(C)O ZINC000125203289 387645903 /nfs/dbraw/zinc/64/59/03/387645903.db2.gz WTEUJWDUSWEHDL-UHFFFAOYSA-N 2 1 228.380 1.565 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N(C)C ZINC000422738126 387646079 /nfs/dbraw/zinc/64/60/79/387646079.db2.gz JFKKLBQDBMCVRH-IJLUTSLNSA-N 2 1 213.369 1.186 20 0 BDADMP C[C@H]([NH2+]Cc1cccc2c1OCO2)C1C[NH2+]C1 ZINC000422738773 387646303 /nfs/dbraw/zinc/64/63/03/387646303.db2.gz JWPBBECLRLFZCV-VIFPVBQESA-N 2 1 234.299 1.113 20 0 BDADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000527637867 387646632 /nfs/dbraw/zinc/64/66/32/387646632.db2.gz QAJTYECQVSVIKW-CQSZACIVSA-N 2 1 245.370 1.964 20 0 BDADMP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422740630 387649191 /nfs/dbraw/zinc/64/91/91/387649191.db2.gz NWIXSOCALYTKQH-MELADBBJSA-N 2 1 234.343 1.844 20 0 BDADMP CC[C@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000430778204 387649710 /nfs/dbraw/zinc/64/97/10/387649710.db2.gz PLMADMFFPHWGDA-RYUDHWBXSA-N 2 1 241.379 1.057 20 0 BDADMP CC[C@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746702 387650786 /nfs/dbraw/zinc/65/07/86/387650786.db2.gz WYOYHQNTXVMIEF-UBHSHLNASA-N 2 1 237.391 1.343 20 0 BDADMP CCCC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422750025 387655592 /nfs/dbraw/zinc/65/55/92/387655592.db2.gz BWNLKYZSSVDVQQ-XQQFMLRXSA-N 2 1 228.380 1.922 20 0 BDADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000430898962 387659505 /nfs/dbraw/zinc/65/95/05/387659505.db2.gz YDJSJHMHSKWIRL-TXEJJXNPSA-N 2 1 241.379 1.104 20 0 BDADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1(C)C ZINC000422758034 387660764 /nfs/dbraw/zinc/66/07/64/387660764.db2.gz DQIBDXLGZXXUFI-RWMBFGLXSA-N 2 1 240.391 1.778 20 0 BDADMP CSCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422759070 387660989 /nfs/dbraw/zinc/66/09/89/387660989.db2.gz OUUBTGRXWMJSGA-VIFPVBQESA-N 2 1 225.361 1.898 20 0 BDADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)C1C[NH2+]C1 ZINC000422756465 387661123 /nfs/dbraw/zinc/66/11/23/387661123.db2.gz LMWRBPVKFHNMNG-WFASDCNBSA-N 2 1 247.386 1.487 20 0 BDADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422766500 387668825 /nfs/dbraw/zinc/66/88/25/387668825.db2.gz XLQNYODLPBOUSB-AVGNSLFASA-N 2 1 225.380 1.201 20 0 BDADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000422770154 387669604 /nfs/dbraw/zinc/66/96/04/387669604.db2.gz UKRATVYCCOXEHR-OLZOCXBDSA-N 2 1 225.380 1.332 20 0 BDADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1(C)C ZINC000422771512 387670294 /nfs/dbraw/zinc/67/02/94/387670294.db2.gz VSJHGEZXVYEGJO-QNWHQSFQSA-N 2 1 240.391 1.778 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOCC1CC1 ZINC000422777576 387675049 /nfs/dbraw/zinc/67/50/49/387675049.db2.gz CKVGEMZRXVQJBZ-DGCLKSJQSA-N 2 1 226.364 1.391 20 0 BDADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422780330 387677495 /nfs/dbraw/zinc/67/74/95/387677495.db2.gz CVWIDPZNBWDDET-UMSGYPCISA-N 2 1 226.364 1.674 20 0 BDADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422780328 387677882 /nfs/dbraw/zinc/67/78/82/387677882.db2.gz CVWIDPZNBWDDET-MROQNXINSA-N 2 1 226.364 1.674 20 0 BDADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000126362571 387680390 /nfs/dbraw/zinc/68/03/90/387680390.db2.gz OQFXKPBXWNCVBU-JSGCOSHPSA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000422781732 387681282 /nfs/dbraw/zinc/68/12/82/387681282.db2.gz IZGMVTSKLXFRJU-NEPJUHHUSA-N 3 1 213.369 1.188 20 0 BDADMP C[NH+](C)CCCC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422781892 387681447 /nfs/dbraw/zinc/68/14/47/387681447.db2.gz LHKIVIRIAAVLBQ-CHWSQXEVSA-N 2 1 227.396 1.578 20 0 BDADMP CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422787234 387687643 /nfs/dbraw/zinc/68/76/43/387687643.db2.gz UEZRQXDWJVVKHX-GWCFXTLKSA-N 2 1 237.347 1.552 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CCCC[C@H]1C ZINC000422862912 387743661 /nfs/dbraw/zinc/74/36/61/387743661.db2.gz OECOOLQGXNDCLW-MCIONIFRSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877135 387756233 /nfs/dbraw/zinc/75/62/33/387756233.db2.gz RBJJWJFLIZZDDN-XWUBHJNHSA-N 2 1 237.391 1.057 20 0 BDADMP C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861061 387744848 /nfs/dbraw/zinc/74/48/48/387744848.db2.gz IWPSFOKHDXQSHP-OWTLIXCDSA-N 2 1 237.391 1.342 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000422868277 387750527 /nfs/dbraw/zinc/75/05/27/387750527.db2.gz UTCMOWBVFJMMON-RWMBFGLXSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCC[C@H](C)C1 ZINC000422868277 387750531 /nfs/dbraw/zinc/75/05/31/387750531.db2.gz UTCMOWBVFJMMON-RWMBFGLXSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000422873314 387751587 /nfs/dbraw/zinc/75/15/87/387751587.db2.gz KZKOYQCRYSZTAB-MRBYEJRBSA-N 2 1 225.380 1.185 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000422873314 387751591 /nfs/dbraw/zinc/75/15/91/387751591.db2.gz KZKOYQCRYSZTAB-MRBYEJRBSA-N 2 1 225.380 1.185 20 0 BDADMP CO[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(C)C ZINC000422801016 387702911 /nfs/dbraw/zinc/70/29/11/387702911.db2.gz AVBZARMWDRHDOS-GXFFZTMASA-N 2 1 237.347 1.816 20 0 BDADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422802274 387703603 /nfs/dbraw/zinc/70/36/03/387703603.db2.gz DFJCNJNQJMAIQQ-RDBSUJKOSA-N 2 1 242.407 1.619 20 0 BDADMP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356746703 387713305 /nfs/dbraw/zinc/71/33/05/387713305.db2.gz RJOUPYSNORRCIH-GFCCVEGCSA-N 2 1 243.395 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000356746703 387713312 /nfs/dbraw/zinc/71/33/12/387713312.db2.gz RJOUPYSNORRCIH-GFCCVEGCSA-N 2 1 243.395 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000356746703 387713316 /nfs/dbraw/zinc/71/33/16/387713316.db2.gz RJOUPYSNORRCIH-GFCCVEGCSA-N 2 1 243.395 1.172 20 0 BDADMP CC[N@@H+](CCN[C@@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000422877911 387755359 /nfs/dbraw/zinc/75/53/59/387755359.db2.gz IUUOBFMBWQHEIW-UONOGXRCSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@@H](NCC[N@@H+](CC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422879516 387755378 /nfs/dbraw/zinc/75/53/78/387755378.db2.gz MFTURUMPXMDLRT-KGLIPLIRSA-N 2 1 241.423 1.837 20 0 BDADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422830797 387722805 /nfs/dbraw/zinc/72/28/05/387722805.db2.gz DAQZHIDRBVIPRM-IGQOVBAYSA-N 3 1 239.407 1.576 20 0 BDADMP COCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422878069 387755666 /nfs/dbraw/zinc/75/56/66/387755666.db2.gz IURDVDTZLMPTFB-WDEREUQCSA-N 2 1 200.326 1.001 20 0 BDADMP C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)[C@H]1CCC[NH2+]1 ZINC000422835742 387729143 /nfs/dbraw/zinc/72/91/43/387729143.db2.gz IZAAMTCDUQSORD-OUCADQQQSA-N 2 1 233.359 1.743 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])NCC[N@H+]1CCCC[C@@H]1C ZINC000422856807 387739842 /nfs/dbraw/zinc/73/98/42/387739842.db2.gz GPHXAMFQOMEBPD-XQQFMLRXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCCC[C@@H]1C ZINC000422856807 387739845 /nfs/dbraw/zinc/73/98/45/387739845.db2.gz GPHXAMFQOMEBPD-XQQFMLRXSA-N 2 1 227.396 1.576 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422857807 387740993 /nfs/dbraw/zinc/74/09/93/387740993.db2.gz HXYWABPUPVJNIJ-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000643527962 387765927 /nfs/dbraw/zinc/76/59/27/387765927.db2.gz WEDKYZSAJYTBCN-QWRGUYRKSA-N 2 1 245.330 1.265 20 0 BDADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000643528643 387770308 /nfs/dbraw/zinc/77/03/08/387770308.db2.gz MKXTZVGCWMBZQX-QPUJVOFHSA-N 2 1 208.280 1.750 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422912323 387771318 /nfs/dbraw/zinc/77/13/18/387771318.db2.gz VZVBGVPFLFMIPN-MGPQQGTHSA-N 2 1 241.423 1.837 20 0 BDADMP CC[C@@H](C)[N@@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422912322 387772158 /nfs/dbraw/zinc/77/21/58/387772158.db2.gz VZVBGVPFLFMIPN-MCIONIFRSA-N 2 1 241.423 1.837 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000643528728 387772546 /nfs/dbraw/zinc/77/25/46/387772546.db2.gz NPOMIHDLDMUXOA-ZJUUUORDSA-N 2 1 208.305 1.177 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000422916904 387773609 /nfs/dbraw/zinc/77/36/09/387773609.db2.gz BWZRWSDJRZSLOM-MXWKQRLJSA-N 2 1 214.378 1.612 20 0 BDADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528088 387773713 /nfs/dbraw/zinc/77/37/13/387773713.db2.gz ZIRVSEVRUUCANS-LOWVWBTDSA-N 2 1 222.332 1.699 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)COC2 ZINC000643529107 387774721 /nfs/dbraw/zinc/77/47/21/387774721.db2.gz VGPGQQPIYADCTG-VHSXEESVSA-N 2 1 220.316 1.715 20 0 BDADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000422932984 387781773 /nfs/dbraw/zinc/78/17/73/387781773.db2.gz CWRMTUAVRJEYGZ-ZYHUDNBSSA-N 2 1 236.363 1.894 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000422932346 387781971 /nfs/dbraw/zinc/78/19/71/387781971.db2.gz FNPVUQXXZMFBQJ-PWSUYJOCSA-N 2 1 208.349 1.764 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422902035 387787277 /nfs/dbraw/zinc/78/72/77/387787277.db2.gz COAZESYODFHXKH-AGIUHOORSA-N 2 1 225.380 1.330 20 0 BDADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422902035 387787281 /nfs/dbraw/zinc/78/72/81/387787281.db2.gz COAZESYODFHXKH-AGIUHOORSA-N 2 1 225.380 1.330 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)[C@@H](C)C1 ZINC000432422006 387789033 /nfs/dbraw/zinc/78/90/33/387789033.db2.gz RSIXNXWAEBBIJZ-ABXWRUBCSA-N 2 1 240.391 1.467 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422979084 387789246 /nfs/dbraw/zinc/78/92/46/387789246.db2.gz LFFOJALJTORRPE-RDBSUJKOSA-N 2 1 242.407 1.904 20 0 BDADMP CC(C)[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422978908 387789334 /nfs/dbraw/zinc/78/93/34/387789334.db2.gz KWWPRBPEZAJICH-GRYCIOLGSA-N 2 1 214.353 1.124 20 0 BDADMP CC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)[C@@H]1CCC[NH2+]1 ZINC000422979749 387790707 /nfs/dbraw/zinc/79/07/07/387790707.db2.gz NRTTTYNYGKZTEK-BJDJZHNGSA-N 2 1 246.420 1.219 20 0 BDADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422982955 387793975 /nfs/dbraw/zinc/79/39/75/387793975.db2.gz YHECQWHNYFFSMT-MCIONIFRSA-N 2 1 242.407 1.761 20 0 BDADMP CCC[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422982402 387794710 /nfs/dbraw/zinc/79/47/10/387794710.db2.gz WOUGKWFUTXMSSK-RWMBFGLXSA-N 2 1 228.380 1.658 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CO)CC2)CC[N@@H+]1C ZINC000361980207 387795496 /nfs/dbraw/zinc/79/54/96/387795496.db2.gz IFSAETZKOXPFIQ-RYSNWHEDSA-N 2 1 240.391 1.610 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CO)CC2)CC[N@H+]1C ZINC000361980207 387795499 /nfs/dbraw/zinc/79/54/99/387795499.db2.gz IFSAETZKOXPFIQ-RYSNWHEDSA-N 2 1 240.391 1.610 20 0 BDADMP COCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000527934004 387796623 /nfs/dbraw/zinc/79/66/23/387796623.db2.gz JYEQECIBFKTOQS-UHFFFAOYSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528002911 387808492 /nfs/dbraw/zinc/80/84/92/387808492.db2.gz MVWGJMDZFAIPHQ-QEHJDLSMSA-N 2 1 240.391 1.871 20 0 BDADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528002911 387808496 /nfs/dbraw/zinc/80/84/96/387808496.db2.gz MVWGJMDZFAIPHQ-QEHJDLSMSA-N 2 1 240.391 1.871 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000157512127 387810105 /nfs/dbraw/zinc/81/01/05/387810105.db2.gz ZQBIZMSSVQHFIV-JHJVBQTASA-N 2 1 240.391 1.467 20 0 BDADMP COCC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432117502 387756973 /nfs/dbraw/zinc/75/69/73/387756973.db2.gz UDARIJFSFHYAAZ-GFCCVEGCSA-N 2 1 249.358 1.655 20 0 BDADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882303 387757897 /nfs/dbraw/zinc/75/78/97/387757897.db2.gz ZWPKZVNPPSAFJH-YYBQKPNHSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882303 387757900 /nfs/dbraw/zinc/75/79/00/387757900.db2.gz ZWPKZVNPPSAFJH-YYBQKPNHSA-N 2 1 249.402 1.342 20 0 BDADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000643526695 387757957 /nfs/dbraw/zinc/75/79/57/387757957.db2.gz DUSLRZRTLHSAQX-SKDRFNHKSA-N 2 1 220.316 1.706 20 0 BDADMP COc1cc(C)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422882342 387758574 /nfs/dbraw/zinc/75/85/74/387758574.db2.gz ZYNYSPOMARGAQD-LLVKDONJSA-N 2 1 234.343 1.701 20 0 BDADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643527009 387759212 /nfs/dbraw/zinc/75/92/12/387759212.db2.gz JSCSWZLSKHABCR-VHSXEESVSA-N 2 1 235.331 1.643 20 0 BDADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643527010 387761384 /nfs/dbraw/zinc/76/13/84/387761384.db2.gz JSCSWZLSKHABCR-ZJUUUORDSA-N 2 1 235.331 1.643 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000422972939 387821023 /nfs/dbraw/zinc/82/10/23/387821023.db2.gz NDCSURDQSFXCRS-AGIUHOORSA-N 2 1 208.349 1.930 20 0 BDADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)CC1 ZINC000432795370 387822767 /nfs/dbraw/zinc/82/27/67/387822767.db2.gz WLPRXZIGDZLZMW-UONOGXRCSA-N 2 1 240.391 1.829 20 0 BDADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422975085 387823029 /nfs/dbraw/zinc/82/30/29/387823029.db2.gz SHROYWZXLZCQRG-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423007777 387831516 /nfs/dbraw/zinc/83/15/16/387831516.db2.gz ROWHNLCQORYQJO-VHDGCEQUSA-N 2 1 248.370 1.493 20 0 BDADMP C[C@@H]1[C@@H](N[C@H]2CCC[NH2+]CC2)CCC[N@@H+]1C ZINC000423025934 387844533 /nfs/dbraw/zinc/84/45/33/387844533.db2.gz AGUUNOARTQFGNU-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@@H]1[C@@H](N[C@H]2CCC[NH2+]CC2)CCC[N@H+]1C ZINC000423025934 387844537 /nfs/dbraw/zinc/84/45/37/387844537.db2.gz AGUUNOARTQFGNU-AGIUHOORSA-N 2 1 225.380 1.201 20 0 BDADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423026423 387844618 /nfs/dbraw/zinc/84/46/18/387844618.db2.gz NMLBHMZKORLMPY-RNJOBUHISA-N 2 1 238.375 1.532 20 0 BDADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CO)CCC2)c2ccccc21 ZINC000423029052 387846585 /nfs/dbraw/zinc/84/65/85/387846585.db2.gz HMVUXENDJOFYAS-KGLIPLIRSA-N 2 1 246.354 1.883 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423032797 387848575 /nfs/dbraw/zinc/84/85/75/387848575.db2.gz YRRRVMHYUVBCIV-BNOWGMLFSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]CC1(CN(C)C)CCCC1 ZINC000423034554 387848817 /nfs/dbraw/zinc/84/88/17/387848817.db2.gz ICSGCRNSGRGDRX-ZDUSSCGKSA-N 2 1 241.423 1.825 20 0 BDADMP C[C@@H]([NH2+][C@H](CO)CC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423032809 387849613 /nfs/dbraw/zinc/84/96/13/387849613.db2.gz YRRRVMHYUVBCIV-XBFCOCLRSA-N 2 1 240.391 1.658 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423037082 387851052 /nfs/dbraw/zinc/85/10/52/387851052.db2.gz MGYAPQRJSQJRQL-QWHCGFSZSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@H]1C[C@@H]1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000433027811 387852347 /nfs/dbraw/zinc/85/23/47/387852347.db2.gz XBUBOENTJIYYPH-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423039795 387852717 /nfs/dbraw/zinc/85/27/17/387852717.db2.gz RRKRPCLMBKIGJB-KBPBESRZSA-N 2 1 237.391 1.226 20 0 BDADMP CC1=CC[N@@H+](CCN[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000423038798 387853453 /nfs/dbraw/zinc/85/34/53/387853453.db2.gz PCHZKHFUSLQBTD-ZIAGYGMSSA-N 2 1 237.391 1.369 20 0 BDADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193629594 387857950 /nfs/dbraw/zinc/85/79/50/387857950.db2.gz JDLPUVCUGCOLPX-GASCZTMLSA-N 2 1 230.355 1.988 20 0 BDADMP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460259 387874395 /nfs/dbraw/zinc/87/43/95/387874395.db2.gz GYPCXIPVHUKQHM-SCRDCRAPSA-N 2 1 233.359 1.915 20 0 BDADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ncccc1F ZINC000423002906 387862615 /nfs/dbraw/zinc/86/26/15/387862615.db2.gz ZUJLYBXLKMPPKE-WDEREUQCSA-N 2 1 239.294 1.069 20 0 BDADMP CO[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423056130 387863177 /nfs/dbraw/zinc/86/31/77/387863177.db2.gz FCDHUCOJILQYHX-DCAQKATOSA-N 2 1 200.326 1.142 20 0 BDADMP CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423065886 387870239 /nfs/dbraw/zinc/87/02/39/387870239.db2.gz VMMMIZPLDXKGER-NNYUYHANSA-N 2 1 226.364 1.266 20 0 BDADMP Cc1cccc(NC[C@H]2CCN(C[C@@H](C)[NH3+])C2)n1 ZINC000442657250 387814928 /nfs/dbraw/zinc/81/49/28/387814928.db2.gz HFUAQLFCNKIFHC-DGCLKSJQSA-N 3 1 248.374 1.471 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478280 387815048 /nfs/dbraw/zinc/81/50/48/387815048.db2.gz RXQODFPKCNOKHP-IUODEOHRSA-N 2 1 248.370 1.309 20 0 BDADMP C[C@H](CO)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422970288 387818507 /nfs/dbraw/zinc/81/85/07/387818507.db2.gz FTVWDYSWKQFQAW-NWANDNLSSA-N 2 1 248.370 1.698 20 0 BDADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000423105127 387891315 /nfs/dbraw/zinc/89/13/15/387891315.db2.gz BUOHGNLNRXMWBU-LNFKQOIKSA-N 2 1 248.317 1.877 20 0 BDADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000444615768 387893243 /nfs/dbraw/zinc/89/32/43/387893243.db2.gz ZJDMBRNBCPNDAA-UONOGXRCSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOC(F)F ZINC000423108260 387893795 /nfs/dbraw/zinc/89/37/95/387893795.db2.gz GAOFKRVSIYWEED-RKDXNWHRSA-N 2 1 222.279 1.203 20 0 BDADMP C[C@@H]1CC(CC[NH2+][C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000423115399 387896413 /nfs/dbraw/zinc/89/64/13/387896413.db2.gz NFURSSCDWSGQBT-NQBHXWOUSA-N 2 1 226.364 1.532 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423114946 387896912 /nfs/dbraw/zinc/89/69/12/387896912.db2.gz WMGOGYDSDDOZRI-AVGNSLFASA-N 2 1 227.396 1.576 20 0 BDADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423080917 387876910 /nfs/dbraw/zinc/87/69/10/387876910.db2.gz UACGFNJUKUQJCI-QWHCGFSZSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000423077655 387877330 /nfs/dbraw/zinc/87/73/30/387877330.db2.gz MNWWMYYVEDIHGK-GFCCVEGCSA-N 3 1 239.407 1.306 20 0 BDADMP C[C@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085182 387879151 /nfs/dbraw/zinc/87/91/51/387879151.db2.gz JYAFECFJMMQXIN-WCQYABFASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085182 387879155 /nfs/dbraw/zinc/87/91/55/387879155.db2.gz JYAFECFJMMQXIN-WCQYABFASA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423118619 387900203 /nfs/dbraw/zinc/90/02/03/387900203.db2.gz BNNPYTOKFXXWHU-GHMZBOCLSA-N 2 1 214.328 1.856 20 0 BDADMP C[C@@H]([NH2+][C@@H](CO)CC1CCC1)[C@H]1CCC[NH2+]1 ZINC000423135798 387913146 /nfs/dbraw/zinc/91/31/46/387913146.db2.gz ULHAEWJVCDEZGN-RAIGVLPGSA-N 2 1 226.364 1.268 20 0 BDADMP FCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423139478 387916350 /nfs/dbraw/zinc/91/63/50/387916350.db2.gz KVRZJDLGOWFKTP-XQQFMLRXSA-N 2 1 244.354 1.483 20 0 BDADMP C[C@@H]([NH2+][C@H]1COCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423156027 387935260 /nfs/dbraw/zinc/93/52/60/387935260.db2.gz LXRSYUCZHXQGFZ-MXWKQRLJSA-N 2 1 212.337 1.142 20 0 BDADMP CCC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)OC ZINC000423147742 387924691 /nfs/dbraw/zinc/92/46/91/387924691.db2.gz SRGDTSCRKPRZOZ-WDEREUQCSA-N 2 1 237.347 1.960 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000050225618 387926471 /nfs/dbraw/zinc/92/64/71/387926471.db2.gz FMBDAEXHWIUTQA-JTQLQIEISA-N 2 1 210.346 1.837 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2cncn2c1 ZINC000423167896 387952800 /nfs/dbraw/zinc/95/28/00/387952800.db2.gz FZOKAXLTRYAAGE-MNOVXSKESA-N 2 1 232.331 1.550 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1c[nH+]ccc1N ZINC000423169522 387955628 /nfs/dbraw/zinc/95/56/28/387955628.db2.gz WFXNJQUDJAZXRP-GBIKHYSHSA-N 2 1 235.331 1.306 20 0 BDADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170886 387956102 /nfs/dbraw/zinc/95/61/02/387956102.db2.gz NAEWIVHUIZEIFZ-MJBXVCDLSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@H](NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170886 387956107 /nfs/dbraw/zinc/95/61/07/387956107.db2.gz NAEWIVHUIZEIFZ-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423170886 387956111 /nfs/dbraw/zinc/95/61/11/387956111.db2.gz NAEWIVHUIZEIFZ-MJBXVCDLSA-N 2 1 239.407 1.448 20 0 BDADMP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)nc1 ZINC000423170780 387956192 /nfs/dbraw/zinc/95/61/92/387956192.db2.gz YVIHWCYGYIBRNF-OCCSQVGLSA-N 2 1 233.359 1.663 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322125913 387943089 /nfs/dbraw/zinc/94/30/89/387943089.db2.gz DAEGPAWLSMRJPH-UMNHJUIQSA-N 2 1 207.321 1.826 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000423165004 387948504 /nfs/dbraw/zinc/94/85/04/387948504.db2.gz PGWLQGBABBTMDW-GFCCVEGCSA-N 3 1 227.396 1.578 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC[N@H+]1CCCC1(C)C ZINC000423165004 387948508 /nfs/dbraw/zinc/94/85/08/387948508.db2.gz PGWLQGBABBTMDW-GFCCVEGCSA-N 3 1 227.396 1.578 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000423165917 387950088 /nfs/dbraw/zinc/95/00/88/387950088.db2.gz BSWXXPONSHVZBD-WUHRBBMRSA-N 2 1 238.375 1.674 20 0 BDADMP C[NH+](C)C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000245577768 387961176 /nfs/dbraw/zinc/96/11/76/387961176.db2.gz BJZWGFXSYLGRSE-UONOGXRCSA-N 2 1 239.407 1.354 20 0 BDADMP Cc1ccccc1C[C@@H]([NH2+]CC[NH3+])C1CC1 ZINC000423176423 387961250 /nfs/dbraw/zinc/96/12/50/387961250.db2.gz CFOXUKDKMPQSEV-CQSZACIVSA-N 2 1 218.344 1.864 20 0 BDADMP C[C@H]([NH2+]CC[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000423176978 387961266 /nfs/dbraw/zinc/96/12/66/387961266.db2.gz DFRGLQKBJLUBFA-DRZSPHRISA-N 2 1 204.317 1.727 20 0 BDADMP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1c[nH+]ccc1N ZINC000423175229 387962985 /nfs/dbraw/zinc/96/29/85/387962985.db2.gz DMDNEYUKYBMEOL-SRVKXCTJSA-N 2 1 249.358 1.696 20 0 BDADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[NH3+])c(C)c1 ZINC000423184111 387969735 /nfs/dbraw/zinc/96/97/35/387969735.db2.gz MWMMRNAKKMWBTC-GFCCVEGCSA-N 2 1 249.358 1.569 20 0 BDADMP COc1ccc([C@@H](C)[NH2+]CC[NH3+])c(C)c1 ZINC000423186457 387971410 /nfs/dbraw/zinc/97/14/10/387971410.db2.gz OIBAWIBSDPMEEW-SNVBAGLBSA-N 2 1 208.305 1.613 20 0 BDADMP COCC1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423192842 387978509 /nfs/dbraw/zinc/97/85/09/387978509.db2.gz VAGDTYKMOVZZSO-RYSNWHEDSA-N 2 1 240.391 1.779 20 0 BDADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[NH3+])cc1 ZINC000423195767 387980082 /nfs/dbraw/zinc/98/00/82/387980082.db2.gz ZXZKGMSUFJQFGW-ZLKJLUDKSA-N 2 1 234.343 1.736 20 0 BDADMP C[C@H](CCC[NH3+])[NH2+]CC1(N)CCCCCC1 ZINC000423201808 387987806 /nfs/dbraw/zinc/98/78/06/387987806.db2.gz PRIZDXJHXINSMV-GFCCVEGCSA-N 2 1 227.396 1.755 20 0 BDADMP COCCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420406914 387999201 /nfs/dbraw/zinc/99/92/01/387999201.db2.gz UUFPDJFXYOWBBK-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1C ZINC000424376490 387999719 /nfs/dbraw/zinc/99/97/19/387999719.db2.gz PKGURUYHTJNCMX-FDYHWXHSSA-N 2 1 225.380 1.329 20 0 BDADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)C1(C(=O)OC)CCC1 ZINC000423220700 388001937 /nfs/dbraw/zinc/00/19/37/388001937.db2.gz YGPJUUQDUDCMAD-QWRGUYRKSA-N 2 1 240.347 1.060 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423220287 388002515 /nfs/dbraw/zinc/00/25/15/388002515.db2.gz XWTRNTLBWXVTME-MQYQWHSLSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220287 388002517 /nfs/dbraw/zinc/00/25/17/388002517.db2.gz XWTRNTLBWXVTME-MQYQWHSLSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220287 388002520 /nfs/dbraw/zinc/00/25/20/388002520.db2.gz XWTRNTLBWXVTME-MQYQWHSLSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423220086 388002657 /nfs/dbraw/zinc/00/26/57/388002657.db2.gz XWTRNTLBWXVTME-AAVRWANBSA-N 2 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220086 388002661 /nfs/dbraw/zinc/00/26/61/388002661.db2.gz XWTRNTLBWXVTME-AAVRWANBSA-N 3 1 239.407 1.304 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220086 388002664 /nfs/dbraw/zinc/00/26/64/388002664.db2.gz XWTRNTLBWXVTME-AAVRWANBSA-N 3 1 239.407 1.304 20 0 BDADMP C[NH2+]CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423223356 388003770 /nfs/dbraw/zinc/00/37/70/388003770.db2.gz GDNHXIWRVJRMSK-NEPJUHHUSA-N 2 1 236.359 1.996 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000246116376 388011224 /nfs/dbraw/zinc/01/12/24/388011224.db2.gz UADRXLOMCHJAKD-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000423230285 388015406 /nfs/dbraw/zinc/01/54/06/388015406.db2.gz DFKOYHSFRLBGGT-IJLUTSLNSA-N 2 1 242.363 1.163 20 0 BDADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]C ZINC000423235395 388019043 /nfs/dbraw/zinc/01/90/43/388019043.db2.gz ASCWXEAADCRRSC-QWRGUYRKSA-N 2 1 200.326 1.001 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000453283477 388032819 /nfs/dbraw/zinc/03/28/19/388032819.db2.gz JLDSDNGIJQPGTL-TUAOUCFPSA-N 2 1 212.337 1.095 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423251029 388032972 /nfs/dbraw/zinc/03/29/72/388032972.db2.gz VJGGAJAHOUCUHU-HZSPNIEDSA-N 2 1 240.391 1.781 20 0 BDADMP C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000423253654 388035604 /nfs/dbraw/zinc/03/56/04/388035604.db2.gz ZGUCUVSIMQVVQP-BPLDGKMQSA-N 2 1 247.386 1.759 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000423255115 388037117 /nfs/dbraw/zinc/03/71/17/388037117.db2.gz AUOQVPMLUWKPOI-RDBSUJKOSA-N 3 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCN1C ZINC000423255115 388037120 /nfs/dbraw/zinc/03/71/20/388037120.db2.gz AUOQVPMLUWKPOI-RDBSUJKOSA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423265721 388044498 /nfs/dbraw/zinc/04/44/98/388044498.db2.gz RGHMBQXBOWGIAG-BNOWGMLFSA-N 2 1 239.407 1.434 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423265721 388044501 /nfs/dbraw/zinc/04/45/01/388044501.db2.gz RGHMBQXBOWGIAG-BNOWGMLFSA-N 2 1 239.407 1.434 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCO[C@@H]1C ZINC000423263545 388042917 /nfs/dbraw/zinc/04/29/17/388042917.db2.gz OSNQSIXFNINORI-MXWKQRLJSA-N 2 1 200.326 1.127 20 0 BDADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C[NH3+])CC(C)C)C1 ZINC000423265358 388043375 /nfs/dbraw/zinc/04/33/75/388043375.db2.gz QVGYGPYEOYFBRB-YNEHKIRRSA-N 2 1 227.396 1.290 20 0 BDADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423248208 388029496 /nfs/dbraw/zinc/02/94/96/388029496.db2.gz QJZGTMSSYSHMNY-GHMZBOCLSA-N 2 1 214.353 1.388 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000453338221 388050978 /nfs/dbraw/zinc/05/09/78/388050978.db2.gz FVDNQNUPZUIZCM-MQYQWHSLSA-N 2 1 240.391 1.610 20 0 BDADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cn1 ZINC000423273470 388053052 /nfs/dbraw/zinc/05/30/52/388053052.db2.gz IZJPGDUTGCOKBS-GWCFXTLKSA-N 2 1 249.358 1.348 20 0 BDADMP CCC1(CC)[C@H]([NH2+][C@H](C[NH3+])C2CC2)C[C@@H]1OC ZINC000423274970 388054513 /nfs/dbraw/zinc/05/45/13/388054513.db2.gz LBQQZWPGAZILTR-UPJWGTAASA-N 2 1 240.391 1.907 20 0 BDADMP CCn1cc([C@H](C)[NH2+]C[C@H](C)C[NH2+]C)cn1 ZINC000423277032 388058791 /nfs/dbraw/zinc/05/87/91/388058791.db2.gz PIXPTQPDCPTFMS-MNOVXSKESA-N 2 1 224.352 1.409 20 0 BDADMP C[C@@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000447300893 388059971 /nfs/dbraw/zinc/05/99/71/388059971.db2.gz ZTIRLWFDOUUWTF-VXGBXAGGSA-N 2 1 226.364 1.031 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(C)C ZINC000423278709 388060459 /nfs/dbraw/zinc/06/04/59/388060459.db2.gz QIXJIPCWICLLLZ-QJPTWQEYSA-N 2 1 226.364 1.517 20 0 BDADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC([NH3+])(CC)CC)C1 ZINC000423283952 388067887 /nfs/dbraw/zinc/06/78/87/388067887.db2.gz GCXAEIMMSNYOCX-NEPJUHHUSA-N 2 1 227.396 1.434 20 0 BDADMP CCN1C[C@@H](C)[C@@H]([NH2+]CC([NH3+])(CC)CC)C1 ZINC000423283952 388067891 /nfs/dbraw/zinc/06/78/91/388067891.db2.gz GCXAEIMMSNYOCX-NEPJUHHUSA-N 2 1 227.396 1.434 20 0 BDADMP CC(C)([NH3+])C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423287152 388071370 /nfs/dbraw/zinc/07/13/70/388071370.db2.gz KPOMZLOXFZGZDR-LBPRGKRZSA-N 2 1 237.322 1.999 20 0 BDADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000423286983 388071586 /nfs/dbraw/zinc/07/15/86/388071586.db2.gz JUAWMZFIBIYMHF-JTQLQIEISA-N 2 1 224.352 1.588 20 0 BDADMP C[N@H+]1CC[C@H](NCC(C)(C)[NH3+])[C@H]2CCC[C@H]21 ZINC000423288324 388072952 /nfs/dbraw/zinc/07/29/52/388072952.db2.gz RSACQJYUWHLNON-GRYCIOLGSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H]1OCC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453406484 388074711 /nfs/dbraw/zinc/07/47/11/388074711.db2.gz RDCWABWWZCFEDZ-WCQYABFASA-N 2 1 226.364 1.628 20 0 BDADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000084218092 388074765 /nfs/dbraw/zinc/07/47/65/388074765.db2.gz MIPFEITWWJWLJV-STQMWFEESA-N 3 1 225.380 1.189 20 0 BDADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084217866 388075504 /nfs/dbraw/zinc/07/55/04/388075504.db2.gz FFHSXKIHQBZPJP-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084217866 388075506 /nfs/dbraw/zinc/07/55/06/388075506.db2.gz FFHSXKIHQBZPJP-JHJVBQTASA-N 2 1 225.380 1.188 20 0 BDADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000423296912 388079063 /nfs/dbraw/zinc/07/90/63/388079063.db2.gz HZGCTDYYNIRYTM-MNOVXSKESA-N 2 1 241.379 1.151 20 0 BDADMP CCCC[C@H](C[NH3+])N[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000423297959 388079995 /nfs/dbraw/zinc/07/99/95/388079995.db2.gz MNZTUHFRTUXDCD-YNEHKIRRSA-N 2 1 227.396 1.434 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000085381142 388086656 /nfs/dbraw/zinc/08/66/56/388086656.db2.gz LTJRMXVYZKUHRN-CHWSQXEVSA-N 2 1 240.391 1.874 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261528046 135152635 /nfs/dbraw/zinc/15/26/35/135152635.db2.gz JBOATPLUCWCLGO-WDEREUQCSA-N 2 1 214.378 1.281 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000160064056 388045022 /nfs/dbraw/zinc/04/50/22/388045022.db2.gz QJLZJUBUBXQEIY-BFHYXJOUSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160064056 388045026 /nfs/dbraw/zinc/04/50/26/388045026.db2.gz QJLZJUBUBXQEIY-BFHYXJOUSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000160064056 388045028 /nfs/dbraw/zinc/04/50/28/388045028.db2.gz QJLZJUBUBXQEIY-BFHYXJOUSA-N 2 1 241.423 1.789 20 0 BDADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423267518 388045217 /nfs/dbraw/zinc/04/52/17/388045217.db2.gz TWHVZEMSLOQNRH-NWDGAFQWSA-N 2 1 239.367 1.020 20 0 BDADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449244545 388161846 /nfs/dbraw/zinc/16/18/46/388161846.db2.gz UASUCACZAREKRE-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H](CC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449244545 388161847 /nfs/dbraw/zinc/16/18/47/388161847.db2.gz UASUCACZAREKRE-WCQYABFASA-N 2 1 228.380 1.467 20 0 BDADMP C[C@@H]1C[C@@H]1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000488444455 388179571 /nfs/dbraw/zinc/17/95/71/388179571.db2.gz HTPACOBWSKPWFF-MCIONIFRSA-N 2 1 240.391 1.469 20 0 BDADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCSC1 ZINC000250807221 388186458 /nfs/dbraw/zinc/18/64/58/388186458.db2.gz RSARKQKEBHRUND-WDEREUQCSA-N 2 1 214.378 1.423 20 0 BDADMP CCSCC[NH2+]C1CC[NH+](C)CC1 ZINC000164788018 388248585 /nfs/dbraw/zinc/24/85/85/388248585.db2.gz WNEMRICVEWDQIW-UHFFFAOYSA-N 2 1 202.367 1.423 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000166661476 388255133 /nfs/dbraw/zinc/25/51/33/388255133.db2.gz OAXZFQPDYBHHGP-UWVGGRQHSA-N 2 1 225.361 1.702 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000166661476 388255135 /nfs/dbraw/zinc/25/51/35/388255135.db2.gz OAXZFQPDYBHHGP-UWVGGRQHSA-N 2 1 225.361 1.702 20 0 BDADMP CCc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000450437973 388256209 /nfs/dbraw/zinc/25/62/09/388256209.db2.gz JICUTYCLRQHYFK-CQSZACIVSA-N 2 1 247.342 1.165 20 0 BDADMP CCc1cc(N2CC[N@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000450437973 388256210 /nfs/dbraw/zinc/25/62/10/388256210.db2.gz JICUTYCLRQHYFK-CQSZACIVSA-N 2 1 247.342 1.165 20 0 BDADMP C[C@@H]1[C@@H](CO)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000488742233 388193264 /nfs/dbraw/zinc/19/32/64/388193264.db2.gz DIDIAPWMNBDSDF-UPJWGTAASA-N 2 1 226.364 1.173 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)[C@H](C)C1 ZINC000449451553 388209506 /nfs/dbraw/zinc/20/95/06/388209506.db2.gz RLBOVNAEWCGQQC-AGIUHOORSA-N 2 1 242.407 1.856 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000451813592 388297668 /nfs/dbraw/zinc/29/76/68/388297668.db2.gz RGAJWKZKVPSARJ-VXGBXAGGSA-N 2 1 226.364 1.485 20 0 BDADMP CCOC[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000409425675 256601487 /nfs/dbraw/zinc/60/14/87/256601487.db2.gz GLNVIOLIMUBKJY-NSHDSACASA-N 2 1 200.326 1.084 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000451452490 388274991 /nfs/dbraw/zinc/27/49/91/388274991.db2.gz GXTCGMLTWMYJAW-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000451452490 388274993 /nfs/dbraw/zinc/27/49/93/388274993.db2.gz GXTCGMLTWMYJAW-STQMWFEESA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276646441 388351371 /nfs/dbraw/zinc/35/13/71/388351371.db2.gz LRKXHMQRCWUHNM-GHMZBOCLSA-N 2 1 209.337 1.987 20 0 BDADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000516580281 388356482 /nfs/dbraw/zinc/35/64/82/388356482.db2.gz FNOBWWPJRWKRQF-WCQYABFASA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]([NH2+]CCOC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400761791 388374578 /nfs/dbraw/zinc/37/45/78/388374578.db2.gz YINQMNCXZCTSHS-AAEUAGOBSA-N 2 1 226.364 1.676 20 0 BDADMP C[C@H](C[NH2+]Cc1cnn2ccccc12)C[NH+](C)C ZINC000291687422 388376285 /nfs/dbraw/zinc/37/62/85/388376285.db2.gz IMGRGYOGYVZZOU-GFCCVEGCSA-N 2 1 246.358 1.622 20 0 BDADMP Cc1oncc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000572852740 388381693 /nfs/dbraw/zinc/38/16/93/388381693.db2.gz LNKMYVDMQBAFLP-LLVKDONJSA-N 2 1 246.314 1.706 20 0 BDADMP FC1(F)CC[C@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000300811302 388394903 /nfs/dbraw/zinc/39/49/03/388394903.db2.gz FGATXFJKDWAXDP-JTQLQIEISA-N 2 1 218.291 1.717 20 0 BDADMP FC1(F)CC[C@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000300811302 388394907 /nfs/dbraw/zinc/39/49/07/388394907.db2.gz FGATXFJKDWAXDP-JTQLQIEISA-N 2 1 218.291 1.717 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCOC1(C)C ZINC000294525713 388401343 /nfs/dbraw/zinc/40/13/43/388401343.db2.gz ZNERZHPBQFEUOA-NSHDSACASA-N 2 1 223.320 1.120 20 0 BDADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)CC1(F)CC1 ZINC000525977436 388439699 /nfs/dbraw/zinc/43/96/99/388439699.db2.gz YZGYFZCJLRDWHL-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC1(F)CC1 ZINC000525977436 388439703 /nfs/dbraw/zinc/43/97/03/388439703.db2.gz YZGYFZCJLRDWHL-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC1(F)CC1 ZINC000525977436 388439704 /nfs/dbraw/zinc/43/97/04/388439704.db2.gz YZGYFZCJLRDWHL-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC1(F)CC1 ZINC000525977436 388439706 /nfs/dbraw/zinc/43/97/06/388439706.db2.gz YZGYFZCJLRDWHL-NSHDSACASA-N 2 1 214.328 1.762 20 0 BDADMP COCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308636299 388446053 /nfs/dbraw/zinc/44/60/53/388446053.db2.gz QTKLYQYPOWTURQ-UHFFFAOYSA-N 2 1 214.353 1.487 20 0 BDADMP COCCC[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000525988123 388453029 /nfs/dbraw/zinc/45/30/29/388453029.db2.gz JQRQUXYDAGDNQE-UHFFFAOYSA-N 2 1 244.354 1.579 20 0 BDADMP COc1cccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000515404014 256745012 /nfs/dbraw/zinc/74/50/12/256745012.db2.gz BAHJPRZVEJJVCS-VHSXEESVSA-N 2 1 208.305 1.693 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+]Cc1cncn1C(C)C ZINC000336790757 388470847 /nfs/dbraw/zinc/47/08/47/388470847.db2.gz MBDVSHHEBHTRDK-UHFFFAOYSA-N 2 1 247.346 1.759 20 0 BDADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)on1 ZINC000397478436 388472930 /nfs/dbraw/zinc/47/29/30/388472930.db2.gz JNSJCBDYSFGNIW-USWWRNFRSA-N 2 1 237.347 1.788 20 0 BDADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)on1 ZINC000397478436 388472933 /nfs/dbraw/zinc/47/29/33/388472933.db2.gz JNSJCBDYSFGNIW-USWWRNFRSA-N 2 1 237.347 1.788 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCC2)CC[N@H+]1C ZINC000316335367 388409875 /nfs/dbraw/zinc/40/98/75/388409875.db2.gz GWFZXTGRIIWQPO-KGYLQXTDSA-N 2 1 226.364 1.220 20 0 BDADMP Cc1cnccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000295658356 388413678 /nfs/dbraw/zinc/41/36/78/388413678.db2.gz IAOLVJPAOAMDDH-NSHDSACASA-N 2 1 221.348 1.677 20 0 BDADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1C[C@H]1C ZINC000322335346 388432060 /nfs/dbraw/zinc/43/20/60/388432060.db2.gz QCAQVOJFKNFEQM-WZRBSPASSA-N 2 1 208.349 1.882 20 0 BDADMP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000340463458 388491077 /nfs/dbraw/zinc/49/10/77/388491077.db2.gz QMYPWEVSDIGQRO-VWYCJHECSA-N 2 1 202.317 1.664 20 0 BDADMP COC(=O)CC1(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000520833204 388514561 /nfs/dbraw/zinc/51/45/61/388514561.db2.gz OUGMBFJOZHISFW-WDEREUQCSA-N 2 1 240.347 1.141 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@H]([NH3+])C2CCC2)n1 ZINC000517029321 256812192 /nfs/dbraw/zinc/81/21/92/256812192.db2.gz HXXMDXWDWNYVLQ-OIBJUYFYSA-N 2 1 224.308 1.020 20 0 BDADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000136082893 388520627 /nfs/dbraw/zinc/52/06/27/388520627.db2.gz SMSPIVDHTJKIPH-RYUDHWBXSA-N 2 1 228.380 1.467 20 0 BDADMP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000348287062 388527887 /nfs/dbraw/zinc/52/78/87/388527887.db2.gz AODSXCBUTHXJCL-YIYPIFLZSA-N 2 1 242.407 1.569 20 0 BDADMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000219245559 388589497 /nfs/dbraw/zinc/58/94/97/388589497.db2.gz DJEDPEDKUMODNU-DRZSPHRISA-N 2 1 204.317 1.727 20 0 BDADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186792216 388603982 /nfs/dbraw/zinc/60/39/82/388603982.db2.gz LQGUNSNPUSZUJB-REWJHTLYSA-N 2 1 238.375 1.506 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000220587654 388605610 /nfs/dbraw/zinc/60/56/10/388605610.db2.gz ITMNPIWPJUPVRD-IHRRRGAJSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CCO)CC1 ZINC000517712626 388557341 /nfs/dbraw/zinc/55/73/41/388557341.db2.gz HWUDDKVXVVMKTI-ZDUSSCGKSA-N 2 1 228.380 1.454 20 0 BDADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)C[C@H]1C)C1CC1 ZINC000360930396 388559264 /nfs/dbraw/zinc/55/92/64/388559264.db2.gz LGBUDZLQQIVVFD-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000360930396 388559268 /nfs/dbraw/zinc/55/92/68/388559268.db2.gz LGBUDZLQQIVVFD-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000360930396 388559269 /nfs/dbraw/zinc/55/92/69/388559269.db2.gz LGBUDZLQQIVVFD-OCCSQVGLSA-N 2 1 239.407 1.401 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC12CCOCC2 ZINC000548794558 388563455 /nfs/dbraw/zinc/56/34/55/388563455.db2.gz QNVIAYUQNITTPB-ZDUSSCGKSA-N 2 1 249.358 1.740 20 0 BDADMP Cc1cnccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000385061712 388573353 /nfs/dbraw/zinc/57/33/53/388573353.db2.gz UPBDZKFUKABZEG-RYUDHWBXSA-N 2 1 219.332 1.559 20 0 BDADMP CC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248013266 388671617 /nfs/dbraw/zinc/67/16/17/388671617.db2.gz LMBQXJKJYOZTOX-OLZOCXBDSA-N 2 1 228.380 1.611 20 0 BDADMP CC1(C)CCC[C@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000521983202 388672715 /nfs/dbraw/zinc/67/27/15/388672715.db2.gz DZUPEHRTHWTGJE-LBPRGKRZSA-N 2 1 228.380 1.456 20 0 BDADMP CC1(C)CCC[C@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000521983202 388672718 /nfs/dbraw/zinc/67/27/18/388672718.db2.gz DZUPEHRTHWTGJE-LBPRGKRZSA-N 2 1 228.380 1.456 20 0 BDADMP COC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000248419432 388678509 /nfs/dbraw/zinc/67/85/09/388678509.db2.gz VCEHBRZGTIQUMB-OLZOCXBDSA-N 2 1 238.375 1.772 20 0 BDADMP Cc1cnccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000530217286 388630218 /nfs/dbraw/zinc/63/02/18/388630218.db2.gz GFOWEVDNEHTDBP-UHFFFAOYSA-N 2 1 219.332 1.703 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530218173 388630445 /nfs/dbraw/zinc/63/04/45/388630445.db2.gz IAGCCCUMSMEUFG-JHJVBQTASA-N 2 1 237.391 1.201 20 0 BDADMP C[C@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCCC[NH2+]1 ZINC000530219528 388631955 /nfs/dbraw/zinc/63/19/55/388631955.db2.gz JPFOGXUSTMSHBA-QCXCNERSSA-N 2 1 224.348 1.286 20 0 BDADMP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218540 388632130 /nfs/dbraw/zinc/63/21/30/388632130.db2.gz WRXQDPWYOMBWLD-NWDGAFQWSA-N 2 1 234.347 1.146 20 0 BDADMP COCCC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000530221492 388633065 /nfs/dbraw/zinc/63/30/65/388633065.db2.gz DZZNYPQZGWMRPF-SNVBAGLBSA-N 2 1 200.326 1.082 20 0 BDADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000248560712 388684566 /nfs/dbraw/zinc/68/45/66/388684566.db2.gz JITDOZHYEACNBP-CHWSQXEVSA-N 2 1 226.364 1.485 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222886637 388646559 /nfs/dbraw/zinc/64/65/59/388646559.db2.gz SEUZZLJLQQEQCD-UMSGYPCISA-N 2 1 226.364 1.626 20 0 BDADMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222886637 388646560 /nfs/dbraw/zinc/64/65/60/388646560.db2.gz SEUZZLJLQQEQCD-UMSGYPCISA-N 2 1 226.364 1.626 20 0 BDADMP C[N@H+](Cc1cnc(N)s1)CC(C)(C)C[NH3+] ZINC000261555117 388649791 /nfs/dbraw/zinc/64/97/91/388649791.db2.gz USKPXJKEGDZOSE-UHFFFAOYSA-N 2 1 228.365 1.142 20 0 BDADMP C[N@@H+](Cc1cnc(N)s1)CC(C)(C)C[NH3+] ZINC000261555117 388649794 /nfs/dbraw/zinc/64/97/94/388649794.db2.gz USKPXJKEGDZOSE-UHFFFAOYSA-N 2 1 228.365 1.142 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCO2)[C@H](C)C1 ZINC000247144044 388659758 /nfs/dbraw/zinc/65/97/58/388659758.db2.gz RBHQNCPZKRRJDY-HZSPNIEDSA-N 2 1 240.391 1.875 20 0 BDADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128025988 388736699 /nfs/dbraw/zinc/73/66/99/388736699.db2.gz LQGUNSNPUSZUJB-MQYQWHSLSA-N 2 1 238.375 1.506 20 0 BDADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000227369498 388749369 /nfs/dbraw/zinc/74/93/69/388749369.db2.gz PCXMDSXROJLMMW-LDYMZIIASA-N 2 1 223.320 1.603 20 0 BDADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000227369498 388749373 /nfs/dbraw/zinc/74/93/73/388749373.db2.gz PCXMDSXROJLMMW-LDYMZIIASA-N 2 1 223.320 1.603 20 0 BDADMP COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000126358367 388694544 /nfs/dbraw/zinc/69/45/44/388694544.db2.gz YRNOOQJITLTAFV-DGCLKSJQSA-N 2 1 249.358 1.663 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000126358367 388694546 /nfs/dbraw/zinc/69/45/46/388694546.db2.gz YRNOOQJITLTAFV-DGCLKSJQSA-N 2 1 249.358 1.663 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000248828108 388694728 /nfs/dbraw/zinc/69/47/28/388694728.db2.gz DHXJLIYKMRCHHO-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000248828108 388694729 /nfs/dbraw/zinc/69/47/29/388694729.db2.gz DHXJLIYKMRCHHO-CHWSQXEVSA-N 2 1 228.380 1.733 20 0 BDADMP COC[C@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249452212 388721331 /nfs/dbraw/zinc/72/13/31/388721331.db2.gz CPTQOTDBTDMPPK-KGLIPLIRSA-N 2 1 240.391 1.687 20 0 BDADMP Cn1ccnc1[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000538809646 388728094 /nfs/dbraw/zinc/72/80/94/388728094.db2.gz XKBRCCAXBZZMBX-LBPRGKRZSA-N 2 1 245.330 1.106 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCOC1 ZINC000128979871 388808828 /nfs/dbraw/zinc/80/88/28/388808828.db2.gz DEOBRWRSTKWYAF-AVGNSLFASA-N 2 1 238.375 1.485 20 0 BDADMP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000230062690 388811414 /nfs/dbraw/zinc/81/14/14/388811414.db2.gz UXCBOZMQNSOWME-STQMWFEESA-N 2 1 228.380 1.731 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000252708588 388771336 /nfs/dbraw/zinc/77/13/36/388771336.db2.gz AMODOLHEMRSXOD-JHJVBQTASA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cscn1 ZINC000252710787 388773163 /nfs/dbraw/zinc/77/31/63/388773163.db2.gz HRVZGNMDGYFDEX-CMPLNLGQSA-N 2 1 239.388 1.615 20 0 BDADMP CC[N@H+](CC[NH2+][C@H](C)[C@H]1CCOC1)C(C)C ZINC000252711840 388773847 /nfs/dbraw/zinc/77/38/47/388773847.db2.gz KSVPNGQZCADZPG-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1CCOC1)C(C)C ZINC000252711840 388773849 /nfs/dbraw/zinc/77/38/49/388773849.db2.gz KSVPNGQZCADZPG-OLZOCXBDSA-N 2 1 228.380 1.731 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252709684 388773882 /nfs/dbraw/zinc/77/38/82/388773882.db2.gz DNCWOUHRVFXRCO-WOPDTQHZSA-N 2 1 214.353 1.077 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC(C)(C)[NH+](C)C ZINC000252710301 388773923 /nfs/dbraw/zinc/77/39/23/388773923.db2.gz GGPOPSWOPDXTKN-VXGBXAGGSA-N 2 1 227.396 1.256 20 0 BDADMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000554848105 388832918 /nfs/dbraw/zinc/83/29/18/388832918.db2.gz HNAFDSNRZDCLKW-HDJSIYSDSA-N 2 1 242.407 1.954 20 0 BDADMP CN(CCC[NH+]1CCCC1)Cc1ncccc1[O-] ZINC000554864233 388834455 /nfs/dbraw/zinc/83/44/55/388834455.db2.gz RCZBGFYVLVDRJE-UHFFFAOYSA-N 2 1 249.358 1.705 20 0 BDADMP Cc1cnccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129860203 388873735 /nfs/dbraw/zinc/87/37/35/388873735.db2.gz ODLJKKMZCLYYFV-AAEUAGOBSA-N 2 1 219.332 1.702 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CC2CCOCC2)CC[N@H+]1C ZINC000094722724 388868350 /nfs/dbraw/zinc/86/83/50/388868350.db2.gz VCZOAAWYHUSMKC-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)[nH]n1 ZINC000564722500 388886187 /nfs/dbraw/zinc/88/61/87/388886187.db2.gz TZIXQLOLTMLZKM-UFGOTCBOSA-N 2 1 236.363 1.379 20 0 BDADMP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n[nH]1 ZINC000564722500 388886190 /nfs/dbraw/zinc/88/61/90/388886190.db2.gz TZIXQLOLTMLZKM-UFGOTCBOSA-N 2 1 236.363 1.379 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000565159560 388918382 /nfs/dbraw/zinc/91/83/82/388918382.db2.gz ZYDBEDKIRSORIH-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000565159560 388918385 /nfs/dbraw/zinc/91/83/85/388918385.db2.gz ZYDBEDKIRSORIH-SRVKXCTJSA-N 2 1 214.353 1.172 20 0 BDADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000565724112 388963543 /nfs/dbraw/zinc/96/35/43/388963543.db2.gz LTPLOJDIQJYYJL-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC2CC2)C1 ZINC000565724112 388963546 /nfs/dbraw/zinc/96/35/46/388963546.db2.gz LTPLOJDIQJYYJL-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000565724112 388963552 /nfs/dbraw/zinc/96/35/52/388963552.db2.gz LTPLOJDIQJYYJL-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC2CC2)C1 ZINC000565724112 388963549 /nfs/dbraw/zinc/96/35/49/388963549.db2.gz LTPLOJDIQJYYJL-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000565724112 388963555 /nfs/dbraw/zinc/96/35/55/388963555.db2.gz LTPLOJDIQJYYJL-ZIAGYGMSSA-N 2 1 240.391 1.421 20 0 BDADMP C[C@H]1C[C@H](C[N@H+]2CC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000565351343 388939607 /nfs/dbraw/zinc/93/96/07/388939607.db2.gz JYRXRUPYRDAEKG-AXFHLTTASA-N 2 1 248.317 1.688 20 0 BDADMP CCC[C@H](C)[C@@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000565483654 388948998 /nfs/dbraw/zinc/94/89/98/388948998.db2.gz NCSKSVCPWADLJY-BFHYXJOUSA-N 2 1 242.407 1.857 20 0 BDADMP COC(=O)CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566010378 388983441 /nfs/dbraw/zinc/98/34/41/388983441.db2.gz OSOPLDBRBQXBFO-CYBMUJFWSA-N 2 1 240.347 1.015 20 0 BDADMP C([C@H]1CCSC1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257675207 533376255 /nfs/dbraw/zinc/37/62/55/533376255.db2.gz JNDIMTAKGWCTBL-GFCCVEGCSA-N 2 1 240.416 1.815 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@@H]1C ZINC000495049316 533645366 /nfs/dbraw/zinc/64/53/66/533645366.db2.gz KUAFBGLAFJWTRA-JHJVBQTASA-N 2 1 240.391 1.731 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)CC[N@H+]1C ZINC000400587363 533647771 /nfs/dbraw/zinc/64/77/71/533647771.db2.gz NWUJHAHOJSJWDS-MCIONIFRSA-N 2 1 240.391 1.875 20 0 BDADMP Cc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000336626370 132249189 /nfs/dbraw/zinc/24/91/89/132249189.db2.gz XBVVYVYSCAOOSS-RYUDHWBXSA-N 2 1 219.332 1.919 20 0 BDADMP CCc1ccc(N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000006243604 132318007 /nfs/dbraw/zinc/31/80/07/132318007.db2.gz MAHFETUXCCFBOB-UHFFFAOYSA-N 2 1 247.386 1.720 20 0 BDADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000336054535 134065812 /nfs/dbraw/zinc/06/58/12/134065812.db2.gz LKUCSKWSPFZCBD-PRHODGIISA-N 2 1 222.336 1.196 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000336054535 134065813 /nfs/dbraw/zinc/06/58/13/134065813.db2.gz LKUCSKWSPFZCBD-PRHODGIISA-N 2 1 222.336 1.196 20 0 BDADMP Cc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)nc1 ZINC000336124895 134092785 /nfs/dbraw/zinc/09/27/85/134092785.db2.gz GGHCWHGBAZKPHB-HNNXBMFYSA-N 2 1 245.370 1.918 20 0 BDADMP C[C@H]1C[N@@H+](C)CCN1CC[C@H]1CCC[NH+]1C ZINC000336214851 134136392 /nfs/dbraw/zinc/13/63/92/134136392.db2.gz BKSPVNSYWITXMP-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H]1C[NH+](C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000336214851 134136393 /nfs/dbraw/zinc/13/63/93/134136393.db2.gz BKSPVNSYWITXMP-QWHCGFSZSA-N 2 1 225.380 1.107 20 0 BDADMP C[C@H](CCO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169249320 134249849 /nfs/dbraw/zinc/24/98/49/134249849.db2.gz GJCKZKZVNWSPTN-ICCXJUOJSA-N 2 1 220.316 1.492 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCO[C@@H]1C ZINC000178689250 134312877 /nfs/dbraw/zinc/31/28/77/134312877.db2.gz SGJDPYCWRILHBX-WZRBSPASSA-N 2 1 237.347 1.595 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000178976401 134314259 /nfs/dbraw/zinc/31/42/59/134314259.db2.gz MWZWRTKIFBMGKK-ZDUSSCGKSA-N 2 1 224.348 1.098 20 0 BDADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCCOCC1 ZINC000221087698 134318511 /nfs/dbraw/zinc/31/85/11/134318511.db2.gz WBQZKGMFNDKTQR-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCCOCC1 ZINC000221087698 134318512 /nfs/dbraw/zinc/31/85/12/134318512.db2.gz WBQZKGMFNDKTQR-CYBMUJFWSA-N 2 1 228.380 1.877 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC000224698720 134349398 /nfs/dbraw/zinc/34/93/98/134349398.db2.gz HQTHCMPIFZRKHN-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC000224698720 134349399 /nfs/dbraw/zinc/34/93/99/134349399.db2.gz HQTHCMPIFZRKHN-STQMWFEESA-N 2 1 228.380 1.733 20 0 BDADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000225204106 134351499 /nfs/dbraw/zinc/35/14/99/134351499.db2.gz UMEQOBPSLIPMFH-UTUOFQBUSA-N 2 1 214.353 1.077 20 0 BDADMP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000226321542 134360158 /nfs/dbraw/zinc/36/01/58/134360158.db2.gz UYVMRWISAQDLMA-GFCCVEGCSA-N 2 1 214.353 1.221 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000226388541 134365232 /nfs/dbraw/zinc/36/52/32/134365232.db2.gz SOURMFPRUNKRSU-UHFFFAOYSA-N 2 1 238.379 1.846 20 0 BDADMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000226388541 134365233 /nfs/dbraw/zinc/36/52/33/134365233.db2.gz SOURMFPRUNKRSU-UHFFFAOYSA-N 2 1 238.379 1.846 20 0 BDADMP C[NH+](C)C1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184663418 134367437 /nfs/dbraw/zinc/36/74/37/134367437.db2.gz QGRCZDYFWNSQPF-ZDUSSCGKSA-N 2 1 240.391 1.970 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226702183 134370534 /nfs/dbraw/zinc/37/05/34/134370534.db2.gz ZZWVQIIAXCRITD-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP COC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226702183 134370535 /nfs/dbraw/zinc/37/05/35/134370535.db2.gz ZZWVQIIAXCRITD-TUAOUCFPSA-N 2 1 212.337 1.238 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)CC[N@H+]1C ZINC000230410476 134514928 /nfs/dbraw/zinc/51/49/28/134514928.db2.gz CQDAVWVYTDAKPF-UPJWGTAASA-N 2 1 226.364 1.485 20 0 BDADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)F)c2ccccc21 ZINC000236303379 134825090 /nfs/dbraw/zinc/82/50/90/134825090.db2.gz DMJQQHKPNFUYGU-GMTAPVOTSA-N 2 1 242.269 1.347 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000070656531 135004545 /nfs/dbraw/zinc/00/45/45/135004545.db2.gz CGMRGDHGNPGZHT-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000070656531 135004547 /nfs/dbraw/zinc/00/45/47/135004547.db2.gz CGMRGDHGNPGZHT-JHJVBQTASA-N 2 1 226.364 1.628 20 0 BDADMP c1cn(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250242972 135050184 /nfs/dbraw/zinc/05/01/84/135050184.db2.gz JSJBWTWGXNISNK-KBPBESRZSA-N 2 1 248.374 1.490 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250314061 135051960 /nfs/dbraw/zinc/05/19/60/135051960.db2.gz MFWFTJOMEKSMBP-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251214568 135066570 /nfs/dbraw/zinc/06/65/70/135066570.db2.gz LQGUNSNPUSZUJB-XDQVBPFNSA-N 2 1 238.375 1.506 20 0 BDADMP C[C@H]1C[N@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000251754391 135076469 /nfs/dbraw/zinc/07/64/69/135076469.db2.gz LMGBDFJJPBPVCC-CMPLNLGQSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1[NH3+] ZINC000251754391 135076471 /nfs/dbraw/zinc/07/64/71/135076471.db2.gz LMGBDFJJPBPVCC-CMPLNLGQSA-N 2 1 205.305 1.251 20 0 BDADMP CC[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000086435411 135084068 /nfs/dbraw/zinc/08/40/68/135084068.db2.gz MUMMYILTGIJNEO-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000086435904 135084309 /nfs/dbraw/zinc/08/43/09/135084309.db2.gz FIWANSGFDNYDJD-NSHDSACASA-N 2 1 200.326 1.082 20 0 BDADMP CC(C)C[N@@H+](CCOCC[NH3+])C1CC1 ZINC000086435541 135084401 /nfs/dbraw/zinc/08/44/01/135084401.db2.gz REVZGEPBJRXKJS-UHFFFAOYSA-N 2 1 200.326 1.082 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000252160141 135085525 /nfs/dbraw/zinc/08/55/25/135085525.db2.gz PSNZWLHTSQLYNJ-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000252160141 135085526 /nfs/dbraw/zinc/08/55/26/135085526.db2.gz PSNZWLHTSQLYNJ-YIYPIFLZSA-N 2 1 238.375 1.770 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252189385 135086440 /nfs/dbraw/zinc/08/64/40/135086440.db2.gz USZXTERXEIVMCD-UPJWGTAASA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252189385 135086443 /nfs/dbraw/zinc/08/64/43/135086443.db2.gz USZXTERXEIVMCD-UPJWGTAASA-N 2 1 236.363 1.344 20 0 BDADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH3+] ZINC000086501009 135087690 /nfs/dbraw/zinc/08/76/90/135087690.db2.gz LNOBKBSHJOAXAE-NEPJUHHUSA-N 3 1 213.369 1.236 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCOC1 ZINC000252708539 135098674 /nfs/dbraw/zinc/09/86/74/135098674.db2.gz AJFPITIXZSCPTK-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCOC1 ZINC000252708539 135098676 /nfs/dbraw/zinc/09/86/76/135098676.db2.gz AJFPITIXZSCPTK-FQUUOJAGSA-N 2 1 238.375 1.628 20 0 BDADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703059 135098690 /nfs/dbraw/zinc/09/86/90/135098690.db2.gz DBIFVIOGBOMAEP-AVGNSLFASA-N 2 1 226.364 1.364 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2Cl)CC[C@@H]1[NH3+] ZINC000086887254 135100413 /nfs/dbraw/zinc/10/04/13/135100413.db2.gz RVMZAERYUUDHLW-SCZZXKLOSA-N 2 1 225.723 1.909 20 0 BDADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000257735687 135100420 /nfs/dbraw/zinc/10/04/20/135100420.db2.gz KMWNZDVMXIYWHA-LLVKDONJSA-N 2 1 222.336 1.197 20 0 BDADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000252711796 135100499 /nfs/dbraw/zinc/10/04/99/135100499.db2.gz KQAXJRZDJVRVHX-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000252733007 135104763 /nfs/dbraw/zinc/10/47/63/135104763.db2.gz XMGKHLIQBKAUEV-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000252733007 135104764 /nfs/dbraw/zinc/10/47/64/135104764.db2.gz XMGKHLIQBKAUEV-FDYHWXHSSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252759515 135107656 /nfs/dbraw/zinc/10/76/56/135107656.db2.gz LLHPGXSPCFPGKC-ZDEQEGDKSA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000261539969 135109217 /nfs/dbraw/zinc/10/92/17/135109217.db2.gz CVHGVEFHNFIGBR-MJBXVCDLSA-N 2 1 241.423 1.824 20 0 BDADMP COCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252853369 135113034 /nfs/dbraw/zinc/11/30/34/135113034.db2.gz JBGNIOJYOZUUSS-SDDRHHMPSA-N 2 1 212.337 1.082 20 0 BDADMP C[C@H](CCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000087358263 135124357 /nfs/dbraw/zinc/12/43/57/135124357.db2.gz GJXHDQHLQHOLDI-ODWCKFRGSA-N 2 1 226.364 1.362 20 0 BDADMP Cc1ccncc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257644399 135137764 /nfs/dbraw/zinc/13/77/64/135137764.db2.gz BSNHNCVULVMRNW-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP Cc1ccncc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257644399 135137765 /nfs/dbraw/zinc/13/77/65/135137765.db2.gz BSNHNCVULVMRNW-CQSZACIVSA-N 2 1 231.343 1.575 20 0 BDADMP c1cncc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257719911 135140652 /nfs/dbraw/zinc/14/06/52/135140652.db2.gz VKDCWPHOIWSURT-CQSZACIVSA-N 2 1 231.343 1.310 20 0 BDADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257741632 135141018 /nfs/dbraw/zinc/14/10/18/135141018.db2.gz YZNVDTSEKMVKHY-STQMWFEESA-N 2 1 224.348 1.098 20 0 BDADMP C[C@@H]1C[C@@H](N(C)Cc2ccno2)CC[N@H+]1C ZINC000266002179 135146827 /nfs/dbraw/zinc/14/68/27/135146827.db2.gz OETLCHDAYJEYOU-MNOVXSKESA-N 2 1 223.320 1.589 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2C)C1 ZINC000261545626 135149516 /nfs/dbraw/zinc/14/95/16/135149516.db2.gz GDKOCTOOSFVDBF-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2C)C1 ZINC000261545626 135149517 /nfs/dbraw/zinc/14/95/17/135149517.db2.gz GDKOCTOOSFVDBF-CYBMUJFWSA-N 2 1 233.359 1.821 20 0 BDADMP C[C@H]1CC[N@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000261361206 135150535 /nfs/dbraw/zinc/15/05/35/135150535.db2.gz YPJDZODBYQTTKY-VHSXEESVSA-N 2 1 209.293 1.091 20 0 BDADMP C[C@H]1CC[N@@H+](Cc2ccno2)C[C@H]1C[NH3+] ZINC000261361206 135150537 /nfs/dbraw/zinc/15/05/37/135150537.db2.gz YPJDZODBYQTTKY-VHSXEESVSA-N 2 1 209.293 1.091 20 0 BDADMP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC[NH3+] ZINC000261531087 135158712 /nfs/dbraw/zinc/15/87/12/135158712.db2.gz FDNUJEZXVOEUGO-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC[NH3+] ZINC000261531087 135158714 /nfs/dbraw/zinc/15/87/14/135158714.db2.gz FDNUJEZXVOEUGO-DGCLKSJQSA-N 2 1 204.317 1.823 20 0 BDADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]12 ZINC000261533792 135166111 /nfs/dbraw/zinc/16/61/11/135166111.db2.gz LESRRZMLUOCCKF-RWMBFGLXSA-N 2 1 208.349 1.846 20 0 BDADMP c1csc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261534763 135167820 /nfs/dbraw/zinc/16/78/20/135167820.db2.gz MZAIWTSSVGRSRP-CMPLNLGQSA-N 2 1 222.357 1.932 20 0 BDADMP c1csc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261534763 135167821 /nfs/dbraw/zinc/16/78/21/135167821.db2.gz MZAIWTSSVGRSRP-CMPLNLGQSA-N 2 1 222.357 1.932 20 0 BDADMP C[N@@H+](C[C@@H]1CCSC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261534654 135167966 /nfs/dbraw/zinc/16/79/66/135167966.db2.gz SKYPPNSZABBOCH-ACJTYDJDSA-N 2 1 240.416 1.954 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000261535504 135169401 /nfs/dbraw/zinc/16/94/01/135169401.db2.gz ZXVGZWMAOHXBOF-CHWSQXEVSA-N 2 1 226.364 1.487 20 0 BDADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000261535424 135169449 /nfs/dbraw/zinc/16/94/49/135169449.db2.gz YMMNEKXDEXDPPE-QWHCGFSZSA-N 2 1 227.396 1.435 20 0 BDADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000261536267 135171072 /nfs/dbraw/zinc/17/10/72/135171072.db2.gz RASAXBHAQKONKR-RYUDHWBXSA-N 2 1 222.357 1.789 20 0 BDADMP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000261536267 135171073 /nfs/dbraw/zinc/17/10/73/135171073.db2.gz RASAXBHAQKONKR-RYUDHWBXSA-N 2 1 222.357 1.789 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCSC[C@H]2C)CC[NH2+]1 ZINC000261536834 135173199 /nfs/dbraw/zinc/17/31/99/135173199.db2.gz TWUNLLMMFUVFAB-UTUOFQBUSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000261537407 135173858 /nfs/dbraw/zinc/17/38/58/135173858.db2.gz VMNIITUBYNURSD-NEPJUHHUSA-N 2 1 212.337 1.084 20 0 BDADMP CCOCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261538728 135176584 /nfs/dbraw/zinc/17/65/84/135176584.db2.gz ZCDDJQRWQUUQBB-VXGBXAGGSA-N 2 1 214.353 1.343 20 0 BDADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](N(C)C)C2)CC[NH2+]1 ZINC000261539699 135178639 /nfs/dbraw/zinc/17/86/39/135178639.db2.gz BCMKPXANTOKINI-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H](CN2CCC[C@H]([NH+](C)C)C2)CC[NH2+]1 ZINC000261539699 135178640 /nfs/dbraw/zinc/17/86/40/135178640.db2.gz BCMKPXANTOKINI-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1CSCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261540851 135179743 /nfs/dbraw/zinc/17/97/43/135179743.db2.gz FJHVZNNDILCIFP-NSHDSACASA-N 2 1 228.405 1.671 20 0 BDADMP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261543052 135183925 /nfs/dbraw/zinc/18/39/25/135183925.db2.gz CRFAIOXXQKBQFR-OLZOCXBDSA-N 2 1 231.343 1.431 20 0 BDADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261543052 135183926 /nfs/dbraw/zinc/18/39/26/135183926.db2.gz CRFAIOXXQKBQFR-OLZOCXBDSA-N 2 1 231.343 1.431 20 0 BDADMP CN(C)[C@@H](C[NH2+]CC(C)(C)[NH3+])c1ccccc1 ZINC000261543314 135184186 /nfs/dbraw/zinc/18/41/86/135184186.db2.gz CUPTWGABVVOCPO-ZDUSSCGKSA-N 2 1 235.375 1.616 20 0 BDADMP CCc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc(C)[nH+]1 ZINC000261553724 135193132 /nfs/dbraw/zinc/19/31/32/135193132.db2.gz ANCRDNABUGMMJS-WCQYABFASA-N 2 1 246.358 1.536 20 0 BDADMP CC[C@H]1C[C@@H](C[N@H+](C)CC[NH2+]C)CCO1 ZINC000261553953 135193345 /nfs/dbraw/zinc/19/33/45/135193345.db2.gz SYFLJJGUIAPESF-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP CC[C@H]1C[C@@H](C[N@@H+](C)CC[NH2+]C)CCO1 ZINC000261553953 135193347 /nfs/dbraw/zinc/19/33/47/135193347.db2.gz SYFLJJGUIAPESF-RYUDHWBXSA-N 2 1 214.353 1.343 20 0 BDADMP Cc1cccnc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261557152 135197968 /nfs/dbraw/zinc/19/79/68/135197968.db2.gz RJFBDYSFQKUNQZ-CYBMUJFWSA-N 2 1 233.359 1.868 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@H]1CCOC1 ZINC000261560357 135201181 /nfs/dbraw/zinc/20/11/81/135201181.db2.gz ZTXJAWRMZOJHIU-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H]1CCOC1 ZINC000261560357 135201182 /nfs/dbraw/zinc/20/11/82/135201182.db2.gz ZTXJAWRMZOJHIU-NWDGAFQWSA-N 2 1 212.337 1.097 20 0 BDADMP CCc1nc(N[C@H]2CCC[NH2+][C@@H]2C)cc(C)[nH+]1 ZINC000261560814 135201897 /nfs/dbraw/zinc/20/18/97/135201897.db2.gz UXKGLVLCXLOCLU-MNOVXSKESA-N 2 1 234.347 1.900 20 0 BDADMP Cc1ncsc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261562421 135204715 /nfs/dbraw/zinc/20/47/15/135204715.db2.gz BGVZUBQEFSETFD-MNOVXSKESA-N 2 1 237.372 1.493 20 0 BDADMP Cc1ncsc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261562421 135204716 /nfs/dbraw/zinc/20/47/16/135204716.db2.gz BGVZUBQEFSETFD-MNOVXSKESA-N 2 1 237.372 1.493 20 0 BDADMP CCCn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261564761 135206872 /nfs/dbraw/zinc/20/68/72/135206872.db2.gz HMELBCAFWBOORT-IHRRRGAJSA-N 2 1 248.374 1.462 20 0 BDADMP CCCn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261564762 135206975 /nfs/dbraw/zinc/20/69/75/135206975.db2.gz HMELBCAFWBOORT-MELADBBJSA-N 2 1 248.374 1.462 20 0 BDADMP CCc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000163993767 135210717 /nfs/dbraw/zinc/21/07/17/135210717.db2.gz YIDNYXJOUBCYJN-ZYHUDNBSSA-N 2 1 248.374 1.769 20 0 BDADMP COCc1ccccc1C[NH2+]CC(C)(C)[NH3+] ZINC000261571034 135213396 /nfs/dbraw/zinc/21/33/96/135213396.db2.gz HIGOLMVZFGOGCK-UHFFFAOYSA-N 2 1 222.332 1.660 20 0 BDADMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261576532 135217819 /nfs/dbraw/zinc/21/78/19/135217819.db2.gz NSFGAICTQJHRCZ-NWDGAFQWSA-N 2 1 247.342 1.279 20 0 BDADMP Cc1ccncc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000261576386 135217925 /nfs/dbraw/zinc/21/79/25/135217925.db2.gz KJUALABTFFRETA-YPMHNXCESA-N 2 1 219.332 1.478 20 0 BDADMP Cc1cc[nH+]c(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261577015 135218203 /nfs/dbraw/zinc/21/82/03/135218203.db2.gz KTLDHNDAWQYRBC-NEPJUHHUSA-N 2 1 217.316 1.578 20 0 BDADMP CCc1cc(N2CC[C@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000261582830 135224060 /nfs/dbraw/zinc/22/40/60/135224060.db2.gz RJQVZZJTPIZIHJ-AWEZNQCLSA-N 2 1 246.358 1.537 20 0 BDADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000261585502 135226728 /nfs/dbraw/zinc/22/67/28/135226728.db2.gz QMOCIELQQQDHRM-WCQGTBRESA-N 2 1 237.372 1.621 20 0 BDADMP C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261591161 135231945 /nfs/dbraw/zinc/23/19/45/135231945.db2.gz VCQZCABLUQSLFG-AVGNSLFASA-N 2 1 226.364 1.221 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC000261596181 135235687 /nfs/dbraw/zinc/23/56/87/135235687.db2.gz YOYVULYDGFZLCO-SDDRHHMPSA-N 2 1 212.337 1.225 20 0 BDADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)CCO1 ZINC000261596181 135235689 /nfs/dbraw/zinc/23/56/89/135235689.db2.gz YOYVULYDGFZLCO-SDDRHHMPSA-N 2 1 212.337 1.225 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](CCOCC[NH3+])CCS1 ZINC000261598045 135237198 /nfs/dbraw/zinc/23/71/98/135237198.db2.gz ZJDCLIFSKNJQRW-NSHDSACASA-N 2 1 232.393 1.035 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261546386 135238711 /nfs/dbraw/zinc/23/87/11/135238711.db2.gz KZVWCQQQRNJSFT-TUAOUCFPSA-N 2 1 212.337 1.082 20 0 BDADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000261546568 135238769 /nfs/dbraw/zinc/23/87/69/135238769.db2.gz HAGOYBDCLXCZLJ-KWCYVHTRSA-N 2 1 234.318 1.995 20 0 BDADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000261547174 135240302 /nfs/dbraw/zinc/24/03/02/135240302.db2.gz LZCJRMHMIYKEGF-DZGCQCFKSA-N 2 1 247.386 1.458 20 0 BDADMP C[C@@H]1CCC[N@H+](Cc2cccc(N)c2)[C@H]1C[NH3+] ZINC000261768212 135251633 /nfs/dbraw/zinc/25/16/33/135251633.db2.gz YQHZEPGADZEHMY-RISCZKNCSA-N 2 1 233.359 1.828 20 0 BDADMP C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@H]1C[NH3+] ZINC000261768212 135251635 /nfs/dbraw/zinc/25/16/35/135251635.db2.gz YQHZEPGADZEHMY-RISCZKNCSA-N 2 1 233.359 1.828 20 0 BDADMP CC(C)[N@H+]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261775064 135251903 /nfs/dbraw/zinc/25/19/03/135251903.db2.gz NDKWVNNTJATDJC-CQSZACIVSA-N 2 1 239.407 1.402 20 0 BDADMP COCC(C)(C)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261782192 135252702 /nfs/dbraw/zinc/25/27/02/135252702.db2.gz FNBZGENQCBBIKH-VXGBXAGGSA-N 2 1 228.380 1.718 20 0 BDADMP C[NH2+]CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261869287 135258221 /nfs/dbraw/zinc/25/82/21/135258221.db2.gz OJSMXPWYRKIITK-AWEZNQCLSA-N 2 1 239.407 1.308 20 0 BDADMP C[C@]1(C[N@@H+](C[C@@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871913 135258735 /nfs/dbraw/zinc/25/87/35/135258735.db2.gz OZWXSKINKUUBCX-JSGCOSHPSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1C ZINC000261979640 135268937 /nfs/dbraw/zinc/26/89/37/135268937.db2.gz RDBKUZWYIAHCST-RYUDHWBXSA-N 2 1 225.380 1.010 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)CN1C ZINC000261979642 135269145 /nfs/dbraw/zinc/26/91/45/135269145.db2.gz RDBKUZWYIAHCST-VXGBXAGGSA-N 2 1 225.380 1.010 20 0 BDADMP C[N@@H+](CC[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262007756 135272044 /nfs/dbraw/zinc/27/20/44/135272044.db2.gz USVVRGSEVFUSSU-HABKJSAYSA-N 2 1 238.375 1.628 20 0 BDADMP COC[C@@H]1CCCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044701 135275669 /nfs/dbraw/zinc/27/56/69/135275669.db2.gz PPJNTWBATUJNHI-ZIAGYGMSSA-N 2 1 240.391 1.735 20 0 BDADMP COC[C@H]1CCCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044699 135275933 /nfs/dbraw/zinc/27/59/33/135275933.db2.gz PPJNTWBATUJNHI-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262042317 135276100 /nfs/dbraw/zinc/27/61/00/135276100.db2.gz YRGRVZYPRBIHGD-FHUSYTEZSA-N 2 1 224.348 1.142 20 0 BDADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000262289950 135290485 /nfs/dbraw/zinc/29/04/85/135290485.db2.gz VXBBHFHXIFRLMU-KBPBESRZSA-N 2 1 238.375 1.487 20 0 BDADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000342598960 135300701 /nfs/dbraw/zinc/30/07/01/135300701.db2.gz QRLYMCPNOPCIDD-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000342598960 135300703 /nfs/dbraw/zinc/30/07/03/135300703.db2.gz QRLYMCPNOPCIDD-GXTWGEPZSA-N 2 1 242.407 1.857 20 0 BDADMP Cc1cnc(CN2CC[N@H+]3CCCC[C@H]3C2)n1C ZINC000342773465 135327197 /nfs/dbraw/zinc/32/71/97/135327197.db2.gz CPRHPUMOQSIVKR-ZDUSSCGKSA-N 2 1 248.374 1.399 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000334277252 135333259 /nfs/dbraw/zinc/33/32/59/135333259.db2.gz SQSCNCVZYFUSFP-AAEUAGOBSA-N 3 1 225.380 1.045 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000334277255 135333803 /nfs/dbraw/zinc/33/38/03/135333803.db2.gz SQSCNCVZYFUSFP-YPMHNXCESA-N 3 1 225.380 1.045 20 0 BDADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH3+])CCC2 ZINC000335566578 136107825 /nfs/dbraw/zinc/10/78/25/136107825.db2.gz USYLSZJRMZMUQM-ZDUSSCGKSA-N 2 1 204.317 1.921 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCOC3)C2)C1 ZINC000335569729 136108586 /nfs/dbraw/zinc/10/85/86/136108586.db2.gz DAKKXWSPMIAGPM-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCCOC3)C2)C1 ZINC000335569729 136108587 /nfs/dbraw/zinc/10/85/87/136108587.db2.gz DAKKXWSPMIAGPM-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCCOC3)C2)C1 ZINC000335569729 136108588 /nfs/dbraw/zinc/10/85/88/136108588.db2.gz DAKKXWSPMIAGPM-KGLIPLIRSA-N 2 1 238.375 1.441 20 0 BDADMP Cc1[nH]c2nc[nH+]c(N3CC[C@@H](C[NH3+])C3)c2c1C ZINC000647704839 397954169 /nfs/dbraw/zinc/95/41/69/397954169.db2.gz NEOVPBAHJFFYJB-JTQLQIEISA-N 2 1 245.330 1.360 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000222603546 397996551 /nfs/dbraw/zinc/99/65/51/397996551.db2.gz WTCZQHHFIMKYOF-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP Cc1cncc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000222603546 397996554 /nfs/dbraw/zinc/99/65/54/397996554.db2.gz WTCZQHHFIMKYOF-JSGCOSHPSA-N 2 1 233.359 1.962 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC2=CCCOC2)CC[N@@H+]1C ZINC000093644825 398003598 /nfs/dbraw/zinc/00/35/98/398003598.db2.gz KSXCFMMLLZHDAF-OCCSQVGLSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@@H]1C[C@@H]([NH+](C)CC2=CCCOC2)CC[N@H+]1C ZINC000093644825 398003601 /nfs/dbraw/zinc/00/36/01/398003601.db2.gz KSXCFMMLLZHDAF-OCCSQVGLSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@@H]1C[C@@H]([N@H+](C)CC2=CCCOC2)CC[NH+]1C ZINC000093644825 398003602 /nfs/dbraw/zinc/00/36/02/398003602.db2.gz KSXCFMMLLZHDAF-OCCSQVGLSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2=CCCOC2)CC[NH+]1C ZINC000093644825 398003605 /nfs/dbraw/zinc/00/36/05/398003605.db2.gz KSXCFMMLLZHDAF-OCCSQVGLSA-N 2 1 238.375 1.748 20 0 BDADMP C[C@@H]1C[C@H](C[N@H+]2CCN[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000414659245 398008676 /nfs/dbraw/zinc/00/86/76/398008676.db2.gz KVMNBWHWMWJSFI-FDYHWXHSSA-N 2 1 225.380 1.057 20 0 BDADMP C[C@@H]1C[C@H](CN2CC[NH2+][C@H](C)[C@H]2C)CC[NH2+]1 ZINC000414659245 398008680 /nfs/dbraw/zinc/00/86/80/398008680.db2.gz KVMNBWHWMWJSFI-FDYHWXHSSA-N 2 1 225.380 1.057 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000649635447 398016496 /nfs/dbraw/zinc/01/64/96/398016496.db2.gz UCIMGYZQXDXLBG-UPJWGTAASA-N 2 1 224.348 1.191 20 0 BDADMP CN1CCC[C@@H]1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000649635447 398016499 /nfs/dbraw/zinc/01/64/99/398016499.db2.gz UCIMGYZQXDXLBG-UPJWGTAASA-N 2 1 224.348 1.191 20 0 BDADMP CN1CCC[C@@H]1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000649635447 398016503 /nfs/dbraw/zinc/01/65/03/398016503.db2.gz UCIMGYZQXDXLBG-UPJWGTAASA-N 2 1 224.348 1.191 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC000160602581 398017023 /nfs/dbraw/zinc/01/70/23/398017023.db2.gz LAUMHCXFDXUTRD-RKDXNWHRSA-N 2 1 211.334 1.312 20 0 BDADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000160602581 398017024 /nfs/dbraw/zinc/01/70/24/398017024.db2.gz LAUMHCXFDXUTRD-RKDXNWHRSA-N 2 1 211.334 1.312 20 0 BDADMP CCOC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000121494079 398019606 /nfs/dbraw/zinc/01/96/06/398019606.db2.gz NFESNKGWPOBMTA-NWDGAFQWSA-N 2 1 239.363 1.842 20 0 BDADMP COc1ccc([C@H]2CC[N@@H+](CCC[NH3+])C2)cc1 ZINC000414689761 398019829 /nfs/dbraw/zinc/01/98/29/398019829.db2.gz GVTYXRQFLGYHRV-ZDUSSCGKSA-N 2 1 234.343 1.833 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)[C@H](C)C1 ZINC000649700278 398048085 /nfs/dbraw/zinc/04/80/85/398048085.db2.gz DZEUWCRBPCAUSY-XHJNMGKDSA-N 2 1 240.391 1.872 20 0 BDADMP CCN(C)c1ccc(C[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000414764786 398028501 /nfs/dbraw/zinc/02/85/01/398028501.db2.gz AWQVMRPCVWIZGJ-UHFFFAOYSA-N 2 1 248.374 1.459 20 0 BDADMP CCN(C)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)cn1 ZINC000414764786 398028506 /nfs/dbraw/zinc/02/85/06/398028506.db2.gz AWQVMRPCVWIZGJ-UHFFFAOYSA-N 2 1 248.374 1.459 20 0 BDADMP C[N@@H+](CCOCC[NH3+])CC1(C)CCC1 ZINC000389269562 398065145 /nfs/dbraw/zinc/06/51/45/398065145.db2.gz LBAQBXMNBZFNPY-UHFFFAOYSA-N 2 1 200.326 1.084 20 0 BDADMP C[N@@H+](CCOCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000384000284 398055756 /nfs/dbraw/zinc/05/57/56/398055756.db2.gz DOHINBAZCHRISM-OAHLLOKOSA-N 2 1 248.370 1.745 20 0 BDADMP CCC[N@@H+](CCc1cn[nH]c1)C1CC[NH2+]CC1 ZINC000384009061 398059297 /nfs/dbraw/zinc/05/92/97/398059297.db2.gz IISANEUSMNGKQU-UHFFFAOYSA-N 2 1 236.363 1.416 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000397318433 398119658 /nfs/dbraw/zinc/11/96/58/398119658.db2.gz ADHFCUDVSYANCL-WZRBSPASSA-N 2 1 236.363 1.225 20 0 BDADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000062013642 398109936 /nfs/dbraw/zinc/10/99/36/398109936.db2.gz DXDRYDXWHVCDKM-BXKDBHETSA-N 2 1 242.750 1.652 20 0 BDADMP CC(C)[NH+]1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000397851101 398123738 /nfs/dbraw/zinc/12/37/38/398123738.db2.gz UPMWYQXECOFMHQ-UHFFFAOYSA-N 2 1 239.407 1.543 20 0 BDADMP COCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000070131018 398126394 /nfs/dbraw/zinc/12/63/94/398126394.db2.gz MYVNAFUMUSFOQQ-UHFFFAOYSA-N 2 1 222.332 1.484 20 0 BDADMP CC(C)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000053660746 167003133 /nfs/dbraw/zinc/00/31/33/167003133.db2.gz DZPNZBBUCPCTMA-UHFFFAOYSA-N 2 1 241.423 1.506 20 0 BDADMP COCCCCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000336746872 174184697 /nfs/dbraw/zinc/18/46/97/174184697.db2.gz ROWWGZNDDBGMET-GFCCVEGCSA-N 2 1 214.353 1.520 20 0 BDADMP COc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1F ZINC000258903247 322878278 /nfs/dbraw/zinc/87/82/78/322878278.db2.gz HSXMCRORCBHEJK-NEPJUHHUSA-N 2 1 238.306 1.804 20 0 BDADMP Cc1nocc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276332 487529565 /nfs/dbraw/zinc/52/95/65/487529565.db2.gz LGEHVEPUPWZBFU-JSGCOSHPSA-N 2 1 249.358 1.947 20 0 BDADMP Cc1nocc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276332 487529567 /nfs/dbraw/zinc/52/95/67/487529567.db2.gz LGEHVEPUPWZBFU-JSGCOSHPSA-N 2 1 249.358 1.947 20 0 BDADMP C([NH2+][C@H]1CCCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000308866155 487571239 /nfs/dbraw/zinc/57/12/39/487571239.db2.gz XARUIWNZJSZGMK-RYUDHWBXSA-N 2 1 212.337 1.287 20 0 BDADMP C[C@H](CCCCO)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000666172097 487572016 /nfs/dbraw/zinc/57/20/16/487572016.db2.gz ALVOURHWLWVCEM-ZIAGYGMSSA-N 2 1 242.407 1.859 20 0 BDADMP Cc1cc(F)cc2c1C[N@H+](CCC[NH3+])CC2 ZINC000334871629 487574939 /nfs/dbraw/zinc/57/49/39/487574939.db2.gz YVJBOTZFROTKMJ-UHFFFAOYSA-N 2 1 222.307 1.841 20 0 BDADMP Cc1cc(F)cc2c1C[N@@H+](CCC[NH3+])CC2 ZINC000334871629 487574942 /nfs/dbraw/zinc/57/49/42/487574942.db2.gz YVJBOTZFROTKMJ-UHFFFAOYSA-N 2 1 222.307 1.841 20 0 BDADMP CC(C)OCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000309106298 167214228 /nfs/dbraw/zinc/21/42/28/167214228.db2.gz IBDFIAVREOVDQP-LLVKDONJSA-N 2 1 200.326 1.225 20 0 BDADMP CC(C)OCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000309106298 167214229 /nfs/dbraw/zinc/21/42/29/167214229.db2.gz IBDFIAVREOVDQP-LLVKDONJSA-N 2 1 200.326 1.225 20 0 BDADMP CC(C)OCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000309420015 167215600 /nfs/dbraw/zinc/21/56/00/167215600.db2.gz JTCCATGKWTULIJ-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC(C)OCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339432676 167234389 /nfs/dbraw/zinc/23/43/89/167234389.db2.gz KCSUTXPIXUMIFH-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339432676 167234391 /nfs/dbraw/zinc/23/43/91/167234391.db2.gz KCSUTXPIXUMIFH-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP CC(C)OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339432676 167234393 /nfs/dbraw/zinc/23/43/93/167234393.db2.gz KCSUTXPIXUMIFH-CQSZACIVSA-N 2 1 240.391 1.829 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000383099286 487587012 /nfs/dbraw/zinc/58/70/12/487587012.db2.gz ZOELDUUMQACSGO-RFQIPJPRSA-N 2 1 240.391 1.597 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336732799 167258584 /nfs/dbraw/zinc/25/85/84/167258584.db2.gz GEFNQHVLEVXUPE-UPJWGTAASA-N 2 1 228.380 1.872 20 0 BDADMP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336732799 167258588 /nfs/dbraw/zinc/25/85/88/167258588.db2.gz GEFNQHVLEVXUPE-UPJWGTAASA-N 2 1 228.380 1.872 20 0 BDADMP C(C[C@H]1CCOC1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232451544 487595316 /nfs/dbraw/zinc/59/53/16/487595316.db2.gz QCCAOSSPEKGOQX-NWDGAFQWSA-N 2 1 212.337 1.145 20 0 BDADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(F)CC3)CC[C@H]21 ZINC000526972920 487608317 /nfs/dbraw/zinc/60/83/17/487608317.db2.gz ZIAPGZDAFPTZNS-VXGBXAGGSA-N 2 1 226.339 1.905 20 0 BDADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(F)CC3)CC[C@H]21 ZINC000526972920 487608321 /nfs/dbraw/zinc/60/83/21/487608321.db2.gz ZIAPGZDAFPTZNS-VXGBXAGGSA-N 2 1 226.339 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(F)CC3)CC[C@H]21 ZINC000526972920 487608325 /nfs/dbraw/zinc/60/83/25/487608325.db2.gz ZIAPGZDAFPTZNS-VXGBXAGGSA-N 2 1 226.339 1.905 20 0 BDADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(F)CC3)CC[C@H]21 ZINC000526972920 487608330 /nfs/dbraw/zinc/60/83/30/487608330.db2.gz ZIAPGZDAFPTZNS-VXGBXAGGSA-N 2 1 226.339 1.905 20 0 BDADMP CCc1nocc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662265859 409564955 /nfs/dbraw/zinc/56/49/55/409564955.db2.gz JGGAWVQUMNDPHF-DRZSPHRISA-N 2 1 249.358 1.796 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)C1CCC1 ZINC000662246067 409542133 /nfs/dbraw/zinc/54/21/33/409542133.db2.gz NSKKGOYRBFAHJM-ZYHUDNBSSA-N 2 1 212.337 1.082 20 0 BDADMP CC[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249661 409548322 /nfs/dbraw/zinc/54/83/22/409548322.db2.gz RQUZQZVPCSJBKC-STQMWFEESA-N 2 1 238.375 1.772 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251672 409548438 /nfs/dbraw/zinc/54/84/38/409548438.db2.gz DGVMTWQGCAXHSW-VXGBXAGGSA-N 2 1 224.348 1.382 20 0 BDADMP Cc1nocc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000662271941 409579101 /nfs/dbraw/zinc/57/91/01/409579101.db2.gz CCJWTKVBZFWMCI-LBPRGKRZSA-N 2 1 223.320 1.686 20 0 BDADMP Cc1nocc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000662271941 409579105 /nfs/dbraw/zinc/57/91/05/409579105.db2.gz CCJWTKVBZFWMCI-LBPRGKRZSA-N 2 1 223.320 1.686 20 0 BDADMP Cc1nccn1CC[N@H+]1CC2CC1(C)C2 ZINC000662385219 409690466 /nfs/dbraw/zinc/69/04/66/409690466.db2.gz OBBUDIMJBSJTRG-UHFFFAOYSA-N 2 1 205.305 1.676 20 0 BDADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCOCC1 ZINC000061934927 409983914 /nfs/dbraw/zinc/98/39/14/409983914.db2.gz XWKMAOILMVVKPS-UHFFFAOYSA-N 2 1 226.364 1.489 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H](C)COCC2CC2)CC1 ZINC000651983117 410127550 /nfs/dbraw/zinc/12/75/50/410127550.db2.gz QDUZEQABVILQJX-LBPRGKRZSA-N 2 1 240.391 1.875 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000309195224 410269422 /nfs/dbraw/zinc/26/94/22/410269422.db2.gz AHLIJIMWHQHCPL-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000309195224 410269434 /nfs/dbraw/zinc/26/94/34/410269434.db2.gz AHLIJIMWHQHCPL-UPJWGTAASA-N 2 1 228.380 1.562 20 0 BDADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709774 410338986 /nfs/dbraw/zinc/33/89/86/410338986.db2.gz PYNIRNBBBGPSTE-CYDGBPFRSA-N 2 1 208.349 1.703 20 0 BDADMP Cn1nccc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718420 410355744 /nfs/dbraw/zinc/35/57/44/410355744.db2.gz LPIANHBPBXBNRO-UHFFFAOYSA-N 2 1 248.305 1.308 20 0 BDADMP C[C@@]1(C[N@H+]2CC[C@]3(CC3(F)F)C2)CC[NH2+]C1 ZINC000650724923 410359987 /nfs/dbraw/zinc/35/99/87/410359987.db2.gz OZEPVQWFUSATCC-MNOVXSKESA-N 2 1 230.302 1.717 20 0 BDADMP c1ccc2c(c1)CC[C@@H](CC[NH2+][C@H]1CC[NH2+]C1)N2 ZINC000650720819 410360473 /nfs/dbraw/zinc/36/04/73/410360473.db2.gz BZESCPSUOVUUAJ-KBPBESRZSA-N 2 1 245.370 1.755 20 0 BDADMP C[C@]1(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CC[NH2+]C1 ZINC000650724925 410361539 /nfs/dbraw/zinc/36/15/39/410361539.db2.gz OZEPVQWFUSATCC-WDEREUQCSA-N 2 1 230.302 1.717 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000650739960 410371787 /nfs/dbraw/zinc/37/17/87/410371787.db2.gz CQNXRJFCWNLSTL-KBPBESRZSA-N 2 1 241.423 1.694 20 0 BDADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000650740775 410374331 /nfs/dbraw/zinc/37/43/31/410374331.db2.gz QRJQBXMFJHUZMY-STQMWFEESA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000650747917 410388353 /nfs/dbraw/zinc/38/83/53/410388353.db2.gz KIKZPYNQMRIBLS-KWCYVHTRSA-N 2 1 245.370 1.753 20 0 BDADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000650756299 410403131 /nfs/dbraw/zinc/40/31/31/410403131.db2.gz YXKJWQCAYLSNFA-KGLIPLIRSA-N 3 1 233.359 1.375 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(CC)C1 ZINC000309276213 410701381 /nfs/dbraw/zinc/70/13/81/410701381.db2.gz SCNOLNNIWDFORI-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(CC)C1 ZINC000309276213 410701385 /nfs/dbraw/zinc/70/13/85/410701385.db2.gz SCNOLNNIWDFORI-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(CC)C1 ZINC000309276213 410701388 /nfs/dbraw/zinc/70/13/88/410701388.db2.gz SCNOLNNIWDFORI-CHWSQXEVSA-N 2 1 228.380 1.421 20 0 BDADMP CC[C@]1([NH2+]CCCc2c[nH+]cn2C)CCOC1 ZINC000314692934 410705894 /nfs/dbraw/zinc/70/58/94/410705894.db2.gz LEJFITKSVUPSLB-ZDUSSCGKSA-N 2 1 237.347 1.511 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000665297372 410813728 /nfs/dbraw/zinc/81/37/28/410813728.db2.gz DVQLEPDPSPYPTC-CHWSQXEVSA-N 2 1 235.375 1.990 20 0 BDADMP CC(C)[NH2+]CC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000366345628 167105376 /nfs/dbraw/zinc/10/53/76/167105376.db2.gz YSWUVZSMIDNTGU-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)[NH2+]CC[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000366345628 167105378 /nfs/dbraw/zinc/10/53/78/167105378.db2.gz YSWUVZSMIDNTGU-CYBMUJFWSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)OCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000336683501 167208062 /nfs/dbraw/zinc/20/80/62/167208062.db2.gz QPRNZAUBUCYYCV-UHFFFAOYSA-N 2 1 214.353 1.485 20 0 BDADMP CC(C)OCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000370696376 167230587 /nfs/dbraw/zinc/23/05/87/167230587.db2.gz GDDSQZYAOCKWGY-CYBMUJFWSA-N 2 1 228.380 1.828 20 0 BDADMP CC(C)OCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000128144222 167246353 /nfs/dbraw/zinc/24/63/53/167246353.db2.gz QKNWLXXHBUJCKX-RYUDHWBXSA-N 2 1 214.353 1.484 20 0 BDADMP CC(C)[C@@H](C[NH2+][C@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000310349928 167399528 /nfs/dbraw/zinc/39/95/28/167399528.db2.gz GVZMQFJWDZTELR-ZIAGYGMSSA-N 3 1 241.423 1.824 20 0 BDADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)C1O ZINC000661620993 411070825 /nfs/dbraw/zinc/07/08/25/411070825.db2.gz CADKCMKRECINNT-UPJWGTAASA-N 2 1 240.391 1.419 20 0 BDADMP CC(C)C[C@@H](C)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000302458719 411137643 /nfs/dbraw/zinc/13/76/43/411137643.db2.gz YFQRJSFOUZGDRV-CQSZACIVSA-N 2 1 241.423 1.506 20 0 BDADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000651865781 411148019 /nfs/dbraw/zinc/14/80/19/411148019.db2.gz HMZWRVZMIUVIKS-KBPBESRZSA-N 2 1 242.407 1.979 20 0 BDADMP C[N@H+](Cc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000082666705 411152344 /nfs/dbraw/zinc/15/23/44/411152344.db2.gz XPDZAJONMBGHEB-CYBMUJFWSA-N 2 1 219.332 1.656 20 0 BDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000082666705 411152349 /nfs/dbraw/zinc/15/23/49/411152349.db2.gz XPDZAJONMBGHEB-CYBMUJFWSA-N 2 1 219.332 1.656 20 0 BDADMP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)no1 ZINC000069730136 411158367 /nfs/dbraw/zinc/15/83/67/411158367.db2.gz DORALPWBTRFBOX-UHFFFAOYSA-N 2 1 223.320 1.544 20 0 BDADMP C[C@@H](O)C[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000655949020 411161252 /nfs/dbraw/zinc/16/12/52/411161252.db2.gz KGZMYIYVMWDLTQ-LLVKDONJSA-N 2 1 226.364 1.221 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401000723 411168693 /nfs/dbraw/zinc/16/86/93/411168693.db2.gz BEHQWUQEHKNBFF-HZSPNIEDSA-N 3 1 248.374 1.169 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401000730 411168702 /nfs/dbraw/zinc/16/87/02/411168702.db2.gz BEHQWUQEHKNBFF-MGPQQGTHSA-N 3 1 248.374 1.169 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657938987 411174076 /nfs/dbraw/zinc/17/40/76/411174076.db2.gz SJXZGIJYAJNQBC-ZDUSSCGKSA-N 2 1 246.358 1.570 20 0 BDADMP CCO[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C[NH3+] ZINC000405837940 411191817 /nfs/dbraw/zinc/19/18/17/411191817.db2.gz DEOZQNJTKPRXIG-CHWSQXEVSA-N 2 1 228.380 1.718 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCC2(CO)CCC2)CC[N@H+]1C ZINC000652311606 411197849 /nfs/dbraw/zinc/19/78/49/411197849.db2.gz RNQYFZKZTWAQAT-QWHCGFSZSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@@H+](CCOC(C)(C)C)CC[C@@H]1CC[NH2+]C1 ZINC000652343686 411208269 /nfs/dbraw/zinc/20/82/69/411208269.db2.gz FPWGGPRJADIGHW-LBPRGKRZSA-N 2 1 228.380 1.733 20 0 BDADMP CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345367 411208986 /nfs/dbraw/zinc/20/89/86/411208986.db2.gz ANFGABXSIWROHG-RWMBFGLXSA-N 2 1 226.364 1.615 20 0 BDADMP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]cc2Cl)C1 ZINC000656211805 411210229 /nfs/dbraw/zinc/21/02/29/411210229.db2.gz LKVQIRXUGLRZSH-AOOOYVTPSA-N 2 1 239.750 1.909 20 0 BDADMP C[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)[C@@H]1CC[NH3+] ZINC000652355990 411215320 /nfs/dbraw/zinc/21/53/20/411215320.db2.gz ORGBXZSNNQZVMK-WCQYABFASA-N 2 1 248.374 1.443 20 0 BDADMP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000309721155 411219566 /nfs/dbraw/zinc/21/95/66/411219566.db2.gz BVNAITOOSSAUAJ-LLVKDONJSA-N 2 1 221.348 1.677 20 0 BDADMP CCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655680279 411222705 /nfs/dbraw/zinc/22/27/05/411222705.db2.gz JAEMZWOTNBOAAZ-CYBMUJFWSA-N 2 1 226.364 1.629 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000310327200 411233540 /nfs/dbraw/zinc/23/35/40/411233540.db2.gz AXFUIGJJKZFBHF-OLZOCXBDSA-N 2 1 242.407 1.856 20 0 BDADMP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000423173491 411236681 /nfs/dbraw/zinc/23/66/81/411236681.db2.gz YYPKCLPHPBSMTP-VGMNWLOBSA-N 2 1 213.350 1.920 20 0 BDADMP CCn1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000423173660 411236687 /nfs/dbraw/zinc/23/66/87/411236687.db2.gz ZOHCVHCRKIXFBP-ZJUUUORDSA-N 2 1 210.325 1.118 20 0 BDADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402606140 411272833 /nfs/dbraw/zinc/27/28/33/411272833.db2.gz ULYMXMXAHZFFPI-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402615148 411278963 /nfs/dbraw/zinc/27/89/63/411278963.db2.gz RELBGGXPHCCDBX-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658170998 411281055 /nfs/dbraw/zinc/28/10/55/411281055.db2.gz ZBHIFHPBGWIZFP-VWYCJHECSA-N 2 1 200.326 1.094 20 0 BDADMP CCCNCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643515251 411285363 /nfs/dbraw/zinc/28/53/63/411285363.db2.gz SWKCWYPBSUXJCE-GFCCVEGCSA-N 2 1 227.396 1.306 20 0 BDADMP CCO[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000051919266 411286534 /nfs/dbraw/zinc/28/65/34/411286534.db2.gz SRBCDBYEKNDQBF-KBPBESRZSA-N 2 1 240.391 1.877 20 0 BDADMP C[NH+](C)C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000162508100 411298228 /nfs/dbraw/zinc/29/82/28/411298228.db2.gz KSNSISYCSUFLJW-CQSZACIVSA-N 3 1 239.407 1.497 20 0 BDADMP c1c(C[C@H]2CCC[NH2+]C2)nnn1-c1cc[nH+]cc1 ZINC000656441168 411259246 /nfs/dbraw/zinc/25/92/46/411259246.db2.gz URGRGGYPCMBCOB-LLVKDONJSA-N 2 1 243.314 1.204 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000656791754 411373003 /nfs/dbraw/zinc/37/30/03/411373003.db2.gz JLLXGYOPYRHAKJ-RWMBFGLXSA-N 2 1 226.364 1.328 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2ccncc2)CCCC1 ZINC000656788531 411367860 /nfs/dbraw/zinc/36/78/60/411367860.db2.gz UDAWBZGLIZOKLU-UHFFFAOYSA-N 2 1 205.305 1.443 20 0 BDADMP Cc1ccncc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789733 411370349 /nfs/dbraw/zinc/37/03/49/411370349.db2.gz WQSCBJAPYKKLKN-UHFFFAOYSA-N 2 1 219.332 1.751 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH2+]CCCC1CCC1 ZINC000656710361 411336370 /nfs/dbraw/zinc/33/63/70/411336370.db2.gz JAJCALGBNCMXQB-CYBMUJFWSA-N 2 1 228.380 1.469 20 0 BDADMP CC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)COC1 ZINC000336689750 168026964 /nfs/dbraw/zinc/02/69/64/168026964.db2.gz HUXRKNRDEUDFDW-ZDUSSCGKSA-N 2 1 238.375 1.441 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294419 411455427 /nfs/dbraw/zinc/45/54/27/411455427.db2.gz AUTQXMWVNXMPON-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294419 411455430 /nfs/dbraw/zinc/45/54/30/411455430.db2.gz AUTQXMWVNXMPON-KGLIPLIRSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCOC)CO1 ZINC000657308055 411460912 /nfs/dbraw/zinc/46/09/12/411460912.db2.gz LUDYLLYRULUBLR-STQMWFEESA-N 2 1 244.379 1.112 20 0 BDADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000404625107 411402814 /nfs/dbraw/zinc/40/28/14/411402814.db2.gz CDXAXNSWQYPPMP-QWHCGFSZSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647880308 411412350 /nfs/dbraw/zinc/41/23/50/411412350.db2.gz FCAVLJDYELXGIQ-UKRRQHHQSA-N 2 1 248.370 1.479 20 0 BDADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCC[NH2+]1 ZINC000422746342 411418603 /nfs/dbraw/zinc/41/86/03/411418603.db2.gz NTFXBYIMEHTSSF-KQSJRHEJSA-N 2 1 210.321 1.036 20 0 BDADMP CCO[C@@H]1C[N@H+](Cc2ccc(C)cn2)C[C@H]1C[NH3+] ZINC000405258473 411421801 /nfs/dbraw/zinc/42/18/01/411421801.db2.gz OIWLYWJWWZEHLP-TZMCWYRMSA-N 2 1 249.358 1.186 20 0 BDADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C)cn2)C[C@H]1C[NH3+] ZINC000405258473 411421804 /nfs/dbraw/zinc/42/18/04/411421804.db2.gz OIWLYWJWWZEHLP-TZMCWYRMSA-N 2 1 249.358 1.186 20 0 BDADMP CCc1nn(C)cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126918636 411463373 /nfs/dbraw/zinc/46/33/73/411463373.db2.gz VNXORVDSBRUFLW-MNOVXSKESA-N 2 1 236.363 1.152 20 0 BDADMP CC(C)C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000307846065 411486896 /nfs/dbraw/zinc/48/68/96/411486896.db2.gz QVBRORXLJGKIGA-CHWSQXEVSA-N 2 1 210.365 1.964 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC(C)C)C1 ZINC000307846838 411487080 /nfs/dbraw/zinc/48/70/80/411487080.db2.gz ONTRJSYBGIZXQW-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000307846838 411487083 /nfs/dbraw/zinc/48/70/83/411487083.db2.gz ONTRJSYBGIZXQW-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000307846838 411487086 /nfs/dbraw/zinc/48/70/86/411487086.db2.gz ONTRJSYBGIZXQW-UONOGXRCSA-N 2 1 242.407 1.667 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000119889200 169956817 /nfs/dbraw/zinc/95/68/17/169956817.db2.gz ZRFUEICMNGSVSF-JQWIXIFHSA-N 2 1 212.337 1.238 20 0 BDADMP CC[NH+]1CCC([N@H+](C)C[C@@H](COC)OC)CC1 ZINC000659983378 411518015 /nfs/dbraw/zinc/51/80/15/411518015.db2.gz KTBIBJOHBKWZBY-ZDUSSCGKSA-N 2 1 244.379 1.064 20 0 BDADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](COC)OC)CC1 ZINC000659983378 411518016 /nfs/dbraw/zinc/51/80/16/411518016.db2.gz KTBIBJOHBKWZBY-ZDUSSCGKSA-N 2 1 244.379 1.064 20 0 BDADMP CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371299446 170004377 /nfs/dbraw/zinc/00/43/77/170004377.db2.gz HAWMDVSBFFVRPD-SDDRHHMPSA-N 2 1 212.337 1.190 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250332553 170007948 /nfs/dbraw/zinc/00/79/48/170007948.db2.gz ORCAHGSLGJRTPG-QWHCGFSZSA-N 2 1 224.348 1.611 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328440708 170009054 /nfs/dbraw/zinc/00/90/54/170009054.db2.gz MJWXFPQWAMTDLR-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000037484300 170015447 /nfs/dbraw/zinc/01/54/47/170015447.db2.gz QZYRZIQJDMOGIP-LLVKDONJSA-N 2 1 222.336 1.150 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000037484300 170015448 /nfs/dbraw/zinc/01/54/48/170015448.db2.gz QZYRZIQJDMOGIP-LLVKDONJSA-N 2 1 222.336 1.150 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269130 170015889 /nfs/dbraw/zinc/01/58/89/170015889.db2.gz ORCAHGSLGJRTPG-OLZOCXBDSA-N 2 1 224.348 1.611 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356855251 170016777 /nfs/dbraw/zinc/01/67/77/170016777.db2.gz UZYCBNVVYWJZDO-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250337723 170016813 /nfs/dbraw/zinc/01/68/13/170016813.db2.gz PHZLQACNPGKFEQ-NEPJUHHUSA-N 2 1 228.405 1.813 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000336694038 170017733 /nfs/dbraw/zinc/01/77/33/170017733.db2.gz IFINDLJHJOKYPX-MELADBBJSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000336694038 170017735 /nfs/dbraw/zinc/01/77/35/170017735.db2.gz IFINDLJHJOKYPX-MELADBBJSA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000336694038 170017736 /nfs/dbraw/zinc/01/77/36/170017736.db2.gz IFINDLJHJOKYPX-MELADBBJSA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)O)C[C@H]1C ZINC000336691410 170017844 /nfs/dbraw/zinc/01/78/44/170017844.db2.gz LNZMECABCNOBID-UTUOFQBUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)O)C[C@H]1C ZINC000336691410 170017845 /nfs/dbraw/zinc/01/78/45/170017845.db2.gz LNZMECABCNOBID-UTUOFQBUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)O)C[C@H]1C ZINC000336691410 170017847 /nfs/dbraw/zinc/01/78/47/170017847.db2.gz LNZMECABCNOBID-UTUOFQBUSA-N 2 1 214.353 1.172 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)C)C[C@@H]1C ZINC000336710124 170017952 /nfs/dbraw/zinc/01/79/52/170017952.db2.gz OUVFDSAHVKAFNK-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)C(C)C)C[C@@H]1C ZINC000336710124 170017953 /nfs/dbraw/zinc/01/79/53/170017953.db2.gz OUVFDSAHVKAFNK-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)C(C)C)C[C@@H]1C ZINC000336710124 170017955 /nfs/dbraw/zinc/01/79/55/170017955.db2.gz OUVFDSAHVKAFNK-MELADBBJSA-N 2 1 242.407 1.808 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)O)[C@@H](C)C1 ZINC000360471766 170018315 /nfs/dbraw/zinc/01/83/15/170018315.db2.gz COWUYRKVGNKKMN-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)O)[C@@H](C)C1 ZINC000360471766 170018316 /nfs/dbraw/zinc/01/83/16/170018316.db2.gz COWUYRKVGNKKMN-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)O)[C@@H](C)C1 ZINC000360471766 170018318 /nfs/dbraw/zinc/01/83/18/170018318.db2.gz COWUYRKVGNKKMN-STQMWFEESA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](C)O)C[C@H]1C ZINC000336662605 170019644 /nfs/dbraw/zinc/01/96/44/170019644.db2.gz CMAVVFZOUFKLPV-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](C)O)C[C@H]1C ZINC000336662605 170019646 /nfs/dbraw/zinc/01/96/46/170019646.db2.gz CMAVVFZOUFKLPV-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](C)O)C[C@H]1C ZINC000336662605 170019647 /nfs/dbraw/zinc/01/96/47/170019647.db2.gz CMAVVFZOUFKLPV-AGIUHOORSA-N 2 1 228.380 1.562 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C(C)C)[C@@H](C)C1 ZINC000305121220 170021538 /nfs/dbraw/zinc/02/15/38/170021538.db2.gz HEBDKSWVSAQXIV-IHRRRGAJSA-N 2 1 242.407 1.713 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000358293714 170021713 /nfs/dbraw/zinc/02/17/13/170021713.db2.gz AZPQPPCZAMTICD-SYQHCUMBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000355334727 170037769 /nfs/dbraw/zinc/03/77/69/170037769.db2.gz SMCQOMYAUNVBJX-BFHYXJOUSA-N 2 1 241.423 1.647 20 0 BDADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000660305229 411566172 /nfs/dbraw/zinc/56/61/72/411566172.db2.gz KYKIXQYBBQJXTO-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000660305229 411566174 /nfs/dbraw/zinc/56/61/74/411566174.db2.gz KYKIXQYBBQJXTO-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000660305229 411566175 /nfs/dbraw/zinc/56/61/75/411566175.db2.gz KYKIXQYBBQJXTO-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC2(CC2)C1 ZINC000660305229 411566177 /nfs/dbraw/zinc/56/61/77/411566177.db2.gz KYKIXQYBBQJXTO-ZDUSSCGKSA-N 2 1 240.391 1.564 20 0 BDADMP CCOCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123790470 170370803 /nfs/dbraw/zinc/37/08/03/170370803.db2.gz KWZIVJMCOWMPBL-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123790470 170370804 /nfs/dbraw/zinc/37/08/04/170370804.db2.gz KWZIVJMCOWMPBL-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123790470 170370805 /nfs/dbraw/zinc/37/08/05/170370805.db2.gz KWZIVJMCOWMPBL-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123790470 170370806 /nfs/dbraw/zinc/37/08/06/170370806.db2.gz KWZIVJMCOWMPBL-OLZOCXBDSA-N 2 1 228.380 1.828 20 0 BDADMP CCOCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907941 170382481 /nfs/dbraw/zinc/38/24/81/170382481.db2.gz DBRFQUSRCBKHJQ-YNEHKIRRSA-N 2 1 228.380 1.731 20 0 BDADMP CCOCC[N@H+](CC)CCn1cc[nH+]c1C ZINC000270894906 170394520 /nfs/dbraw/zinc/39/45/20/170394520.db2.gz PXJUWDOTRPVCSA-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP CCOCC[N@@H+](CC)CCn1cc[nH+]c1C ZINC000270894906 170394523 /nfs/dbraw/zinc/39/45/23/170394523.db2.gz PXJUWDOTRPVCSA-UHFFFAOYSA-N 2 1 225.336 1.550 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645428 170397544 /nfs/dbraw/zinc/39/75/44/170397544.db2.gz UQTCOSXEPWFCFC-GHMZBOCLSA-N 2 1 200.326 1.082 20 0 BDADMP CC1=C[C@H](C)CN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660460058 411588116 /nfs/dbraw/zinc/58/81/16/411588116.db2.gz QBZWAFBAPCCAON-GXTWGEPZSA-N 2 1 240.391 1.586 20 0 BDADMP CC1=C[C@H](C)C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660460058 411588118 /nfs/dbraw/zinc/58/81/18/411588118.db2.gz QBZWAFBAPCCAON-GXTWGEPZSA-N 2 1 240.391 1.586 20 0 BDADMP CC1=C[C@H](C)C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660460058 411588119 /nfs/dbraw/zinc/58/81/19/411588119.db2.gz QBZWAFBAPCCAON-GXTWGEPZSA-N 2 1 240.391 1.586 20 0 BDADMP Cn1c[nH+]cc1CCC[N@H+](CCCO)C1CC1 ZINC000314143550 411601083 /nfs/dbraw/zinc/60/10/83/411601083.db2.gz PVTGFDOZYNAHTK-UHFFFAOYSA-N 2 1 237.347 1.200 20 0 BDADMP Cn1c[nH+]cc1CCC[N@@H+](CCCO)C1CC1 ZINC000314143550 411601084 /nfs/dbraw/zinc/60/10/84/411601084.db2.gz PVTGFDOZYNAHTK-UHFFFAOYSA-N 2 1 237.347 1.200 20 0 BDADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCF)C2 ZINC000660654921 411613699 /nfs/dbraw/zinc/61/36/99/411613699.db2.gz DBKNGYFIZAZCLQ-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCF)C2 ZINC000660654921 411613700 /nfs/dbraw/zinc/61/37/00/411613700.db2.gz DBKNGYFIZAZCLQ-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCF)C2 ZINC000660654921 411613701 /nfs/dbraw/zinc/61/37/01/411613701.db2.gz DBKNGYFIZAZCLQ-LBPRGKRZSA-N 2 1 214.328 1.764 20 0 BDADMP CC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660021 411614474 /nfs/dbraw/zinc/61/44/74/411614474.db2.gz SLEBMCJAUFAYRZ-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660021 411614475 /nfs/dbraw/zinc/61/44/75/411614475.db2.gz SLEBMCJAUFAYRZ-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP CC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660021 411614476 /nfs/dbraw/zinc/61/44/76/411614476.db2.gz SLEBMCJAUFAYRZ-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[C@@H](CO)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665946 411615488 /nfs/dbraw/zinc/61/54/88/411615488.db2.gz ZZLZRAKPOPAFMK-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H](CO)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665946 411615489 /nfs/dbraw/zinc/61/54/89/411615489.db2.gz ZZLZRAKPOPAFMK-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP C[C@@H](CO)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665946 411615491 /nfs/dbraw/zinc/61/54/91/411615491.db2.gz ZZLZRAKPOPAFMK-CHWSQXEVSA-N 2 1 226.364 1.033 20 0 BDADMP CC[C@](C)(O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662656 411615725 /nfs/dbraw/zinc/61/57/25/411615725.db2.gz KNHNZHFDAVSFAH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662656 411615727 /nfs/dbraw/zinc/61/57/27/411615727.db2.gz KNHNZHFDAVSFAH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@](C)(O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662656 411615729 /nfs/dbraw/zinc/61/57/29/411615729.db2.gz KNHNZHFDAVSFAH-KBPBESRZSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@]1(C[NH+]2CCC(c3ccon3)CC2)CC[NH2+]C1 ZINC000663500838 411683597 /nfs/dbraw/zinc/68/35/97/411683597.db2.gz PDBRTHRBWBNSAV-CQSZACIVSA-N 2 1 249.358 1.854 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000663514164 411694538 /nfs/dbraw/zinc/69/45/38/411694538.db2.gz NTANFZKUSJFBCJ-GFCCVEGCSA-N 2 1 221.348 1.520 20 0 BDADMP C[NH2+]C[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000663514173 411695241 /nfs/dbraw/zinc/69/52/41/411695241.db2.gz NVKBDSOZOYHEEU-SNVBAGLBSA-N 2 1 204.317 1.351 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661827173 411892188 /nfs/dbraw/zinc/89/21/88/411892188.db2.gz MFLXCSVAMDRQNV-VXGBXAGGSA-N 2 1 235.331 1.085 20 0 BDADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661824764 411892416 /nfs/dbraw/zinc/89/24/16/411892416.db2.gz COZGOCLZZSHWNO-QWHCGFSZSA-N 2 1 249.358 1.246 20 0 BDADMP C[C@H](CCNc1cc[nH+]c(N(C)C)n1)[NH+](C)C ZINC000664244168 411896927 /nfs/dbraw/zinc/89/69/27/411896927.db2.gz PMDVGKXYPZKCPL-SNVBAGLBSA-N 2 1 237.351 1.295 20 0 BDADMP Cc1nccn1CC[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767683 411878512 /nfs/dbraw/zinc/87/85/12/411878512.db2.gz OFJHZNXGJCWVSB-ZYHUDNBSSA-N 2 1 223.320 1.037 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CCC2(COC2)C1 ZINC000662072384 411971814 /nfs/dbraw/zinc/97/18/14/411971814.db2.gz ISTMPKXVYCPWAF-UHFFFAOYSA-N 2 1 226.364 1.441 20 0 BDADMP CCCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152400 412008261 /nfs/dbraw/zinc/00/82/61/412008261.db2.gz UHXXMIMCCHRMLJ-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC(C)=CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152770 412008297 /nfs/dbraw/zinc/00/82/97/412008297.db2.gz ZNYVFLRZMJYQGN-CQSZACIVSA-N 2 1 238.375 1.484 20 0 BDADMP CC(C)=CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152770 412008300 /nfs/dbraw/zinc/00/83/00/412008300.db2.gz ZNYVFLRZMJYQGN-CQSZACIVSA-N 2 1 238.375 1.484 20 0 BDADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](CC)[NH2+]C ZINC000664719678 412012950 /nfs/dbraw/zinc/01/29/50/412012950.db2.gz VUFWNUOCSVCHDV-LLVKDONJSA-N 2 1 243.395 1.221 20 0 BDADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662039650 411958595 /nfs/dbraw/zinc/95/85/95/411958595.db2.gz YVOYUSHTXPDZKX-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662039650 411958599 /nfs/dbraw/zinc/95/85/99/411958599.db2.gz YVOYUSHTXPDZKX-ZIAGYGMSSA-N 2 1 240.391 1.687 20 0 BDADMP CO[C@H](C[N@H+](C)[C@H](C)CN)C1CCC1 ZINC000662244983 412035623 /nfs/dbraw/zinc/03/56/23/412035623.db2.gz QTJDAZSSBXEACN-MWLCHTKSSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@H](C[N@@H+](C)[C@H](C)CN)C1CCC1 ZINC000662244983 412035625 /nfs/dbraw/zinc/03/56/25/412035625.db2.gz QTJDAZSSBXEACN-MWLCHTKSSA-N 2 1 200.326 1.081 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)C1CCC1 ZINC000662243231 412039444 /nfs/dbraw/zinc/03/94/44/412039444.db2.gz GYBUIDVWTLTTOI-KGYLQXTDSA-N 2 1 226.364 1.471 20 0 BDADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252095 412049774 /nfs/dbraw/zinc/04/97/74/412049774.db2.gz JTJNUTCGQPFBRA-RYUDHWBXSA-N 2 1 226.364 1.628 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258697 412054190 /nfs/dbraw/zinc/05/41/90/412054190.db2.gz ZCDBKUDNOPYZGB-OLZOCXBDSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000662259154 412054881 /nfs/dbraw/zinc/05/48/81/412054881.db2.gz RBOKMRDZMSYQNP-UTUOFQBUSA-N 2 1 224.348 1.238 20 0 BDADMP CC(C)[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662259143 412054891 /nfs/dbraw/zinc/05/48/91/412054891.db2.gz QUCPLVLMFXRJNR-QWHCGFSZSA-N 2 1 238.375 1.485 20 0 BDADMP Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)[nH]1 ZINC000662272514 412062387 /nfs/dbraw/zinc/06/23/87/412062387.db2.gz OJIRUMDFKABXDV-KOLCDFICSA-N 2 1 237.351 1.235 20 0 BDADMP Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)[nH]1 ZINC000662272516 412062712 /nfs/dbraw/zinc/06/27/12/412062712.db2.gz OJIRUMDFKABXDV-ONGXEEELSA-N 2 1 237.351 1.235 20 0 BDADMP CCc1nocc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000662273139 412066158 /nfs/dbraw/zinc/06/61/58/412066158.db2.gz UEDUJLGICYXUNC-LLVKDONJSA-N 2 1 237.347 1.798 20 0 BDADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000662273489 412066454 /nfs/dbraw/zinc/06/64/54/412066454.db2.gz NMAXUPLLENRMFJ-STQMWFEESA-N 2 1 249.358 1.805 20 0 BDADMP CC[C@@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336258002 171180500 /nfs/dbraw/zinc/18/05/00/171180500.db2.gz QBGSMDOCVARVQH-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336258002 171180502 /nfs/dbraw/zinc/18/05/02/171180502.db2.gz QBGSMDOCVARVQH-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336258002 171180504 /nfs/dbraw/zinc/18/05/04/171180504.db2.gz QBGSMDOCVARVQH-KGLIPLIRSA-N 2 1 240.391 1.565 20 0 BDADMP CC[C@@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310514144 171201171 /nfs/dbraw/zinc/20/11/71/171201171.db2.gz RDPNKKRCROMOGW-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000310514144 171201174 /nfs/dbraw/zinc/20/11/74/171201174.db2.gz RDPNKKRCROMOGW-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000310514144 171201176 /nfs/dbraw/zinc/20/11/76/171201176.db2.gz RDPNKKRCROMOGW-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310514144 171201180 /nfs/dbraw/zinc/20/11/80/171201180.db2.gz RDPNKKRCROMOGW-KGLIPLIRSA-N 2 1 240.391 1.564 20 0 BDADMP Cc1nocc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000662282020 412072468 /nfs/dbraw/zinc/07/24/68/412072468.db2.gz AWPAPMDOVPLYSE-LLVKDONJSA-N 2 1 249.358 1.947 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662284815 412078003 /nfs/dbraw/zinc/07/80/03/412078003.db2.gz PQUPSSPJGBQRGY-OAHLLOKOSA-N 2 1 248.370 1.841 20 0 BDADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000662284610 412074385 /nfs/dbraw/zinc/07/43/85/412074385.db2.gz NTTILEGLYQYGFU-RAIGVLPGSA-N 2 1 226.364 1.613 20 0 BDADMP CC[C@H](C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000121110759 171279080 /nfs/dbraw/zinc/27/90/80/171279080.db2.gz GVAHUHGYBRNFFE-ZDUSSCGKSA-N 2 1 242.407 1.811 20 0 BDADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ncn1 ZINC000662286620 412076511 /nfs/dbraw/zinc/07/65/11/412076511.db2.gz SFXJATJYABIPKI-BXUZGUMPSA-N 2 1 248.374 1.734 20 0 BDADMP COCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293481 412082624 /nfs/dbraw/zinc/08/26/24/412082624.db2.gz LLXMSUNEWUPJRD-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000361038485 171307357 /nfs/dbraw/zinc/30/73/57/171307357.db2.gz PDRUZIFOMQHFAQ-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000361038485 171307358 /nfs/dbraw/zinc/30/73/58/171307358.db2.gz PDRUZIFOMQHFAQ-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361038485 171307359 /nfs/dbraw/zinc/30/73/59/171307359.db2.gz PDRUZIFOMQHFAQ-IHRRRGAJSA-N 2 1 241.423 1.647 20 0 BDADMP CC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336658589 171308657 /nfs/dbraw/zinc/30/86/57/171308657.db2.gz BCMDQGPRQHRLHA-JQWIXIFHSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336658589 171308658 /nfs/dbraw/zinc/30/86/58/171308658.db2.gz BCMDQGPRQHRLHA-JQWIXIFHSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336658589 171308660 /nfs/dbraw/zinc/30/86/60/171308660.db2.gz BCMDQGPRQHRLHA-JQWIXIFHSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336658589 171308662 /nfs/dbraw/zinc/30/86/62/171308662.db2.gz BCMDQGPRQHRLHA-JQWIXIFHSA-N 2 1 214.353 1.172 20 0 BDADMP CC[C@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305115456 171364799 /nfs/dbraw/zinc/36/47/99/171364799.db2.gz HUTRNJTUUABQKL-QWHCGFSZSA-N 2 1 242.407 1.857 20 0 BDADMP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](C)CC1 ZINC000304698535 171382468 /nfs/dbraw/zinc/38/24/68/171382468.db2.gz IYGOUYCMJSWVCA-AAEUAGOBSA-N 2 1 228.380 1.467 20 0 BDADMP COCCCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662303366 412088319 /nfs/dbraw/zinc/08/83/19/412088319.db2.gz AUZOKTCUTSVJLU-UHFFFAOYSA-N 2 1 212.337 1.226 20 0 BDADMP COCCCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662303366 412088321 /nfs/dbraw/zinc/08/83/21/412088321.db2.gz AUZOKTCUTSVJLU-UHFFFAOYSA-N 2 1 212.337 1.226 20 0 BDADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662314677 412096396 /nfs/dbraw/zinc/09/63/96/412096396.db2.gz ANRJKHVPSYYABX-ZDUSSCGKSA-N 2 1 226.364 1.474 20 0 BDADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662314203 412097095 /nfs/dbraw/zinc/09/70/95/412097095.db2.gz BPOHKBWWHUCTSY-OLZOCXBDSA-N 2 1 224.348 1.098 20 0 BDADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662317380 412098155 /nfs/dbraw/zinc/09/81/55/412098155.db2.gz XFNYNTLZCVHAOY-OLZOCXBDSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2CC2)CCO1 ZINC000662318955 412099079 /nfs/dbraw/zinc/09/90/79/412099079.db2.gz CBANCARXSQFTMZ-CYBMUJFWSA-N 2 1 226.364 1.439 20 0 BDADMP CC(C)=CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320964 412100413 /nfs/dbraw/zinc/10/04/13/412100413.db2.gz YNDOXTNEAKEVAB-AWEZNQCLSA-N 2 1 240.391 1.995 20 0 BDADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC2CC2)CCO1 ZINC000662320123 412100875 /nfs/dbraw/zinc/10/08/75/412100875.db2.gz QDMOLJIJPBBNDE-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP CO[C@H](C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326186 412102605 /nfs/dbraw/zinc/10/26/05/412102605.db2.gz VZYBSNAFIGHQOZ-CHWSQXEVSA-N 2 1 244.379 1.064 20 0 BDADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662331616 412105037 /nfs/dbraw/zinc/10/50/37/412105037.db2.gz OIWXLXVEWLWTNK-NWDGAFQWSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000665236817 412177167 /nfs/dbraw/zinc/17/71/67/412177167.db2.gz VCMIFKSZCQVIIO-SDDRHHMPSA-N 2 1 225.380 1.329 20 0 BDADMP CC[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000665244709 412189254 /nfs/dbraw/zinc/18/92/54/412189254.db2.gz UILFMCRSMFRFIG-OUAUKWLOSA-N 2 1 248.317 1.531 20 0 BDADMP CN(C)c1nc(N[C@H]2CC[NH2+]C23CCC3)cc[nH+]1 ZINC000630521895 412200036 /nfs/dbraw/zinc/20/00/36/412200036.db2.gz PYXFYNJDWPLOCH-JTQLQIEISA-N 2 1 247.346 1.239 20 0 BDADMP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)[C@@H]1CC[NH2+]C1 ZINC000665264614 412207183 /nfs/dbraw/zinc/20/71/83/412207183.db2.gz DUMWNHLJOFRZPE-CMPLNLGQSA-N 2 1 248.374 1.385 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)CC[N@H+]1C ZINC000665233864 412172701 /nfs/dbraw/zinc/17/27/01/412172701.db2.gz RKGYZYAHWBGLLO-FZMZJTMJSA-N 2 1 233.359 1.841 20 0 BDADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000665280689 412224196 /nfs/dbraw/zinc/22/41/96/412224196.db2.gz JBXLTCHAIDZEEX-IACUBPJLSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000665280689 412224199 /nfs/dbraw/zinc/22/41/99/412224199.db2.gz JBXLTCHAIDZEEX-IACUBPJLSA-N 2 1 239.407 1.432 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000665282410 412227905 /nfs/dbraw/zinc/22/79/05/412227905.db2.gz XPMXNIPIIKHSAM-NXEZZACHSA-N 2 1 238.335 1.206 20 0 BDADMP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(C2CC2)CC1 ZINC000665284027 412229811 /nfs/dbraw/zinc/22/98/11/412229811.db2.gz ZFXVWGJIXSZJMS-CQSZACIVSA-N 2 1 239.407 1.576 20 0 BDADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOCCF)c2ccccc21 ZINC000665299438 412248504 /nfs/dbraw/zinc/24/85/04/412248504.db2.gz NCMZLJVOLPWMDH-QWHCGFSZSA-N 2 1 238.306 1.707 20 0 BDADMP CCc1ncc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000333321667 172019120 /nfs/dbraw/zinc/01/91/20/172019120.db2.gz UPTNIQVAUVJJKH-ZYHUDNBSSA-N 2 1 237.347 1.715 20 0 BDADMP CCn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000070074161 172163998 /nfs/dbraw/zinc/16/39/98/172163998.db2.gz ISYBCTYWKMLHBK-GFCCVEGCSA-N 2 1 236.363 1.464 20 0 BDADMP CCn1cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cn1 ZINC000368082770 172173600 /nfs/dbraw/zinc/17/36/00/172173600.db2.gz ZOFWJUGJIFNPFQ-LLVKDONJSA-N 2 1 245.330 1.273 20 0 BDADMP CCn1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cn1 ZINC000268798976 172192266 /nfs/dbraw/zinc/19/22/66/172192266.db2.gz IRTKEIAJUJMXDJ-LLVKDONJSA-N 2 1 247.346 1.759 20 0 BDADMP CCn1cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000310199227 172197845 /nfs/dbraw/zinc/19/78/45/172197845.db2.gz BESWUJASIULDKO-RYUDHWBXSA-N 2 1 238.379 1.751 20 0 BDADMP CCn1ccnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000054743835 172219912 /nfs/dbraw/zinc/21/99/12/172219912.db2.gz IYQPJDDOJVMWBZ-UHFFFAOYSA-N 2 1 222.336 1.074 20 0 BDADMP CCn1nc(C)c(C[NH+]2CCC([NH3+])CC2)c1C ZINC000307966524 172246238 /nfs/dbraw/zinc/24/62/38/172246238.db2.gz PEGONQHKYLDRCP-UHFFFAOYSA-N 2 1 236.363 1.443 20 0 BDADMP CCn1nccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000125135120 172270822 /nfs/dbraw/zinc/27/08/22/172270822.db2.gz ZUDVCQAOOJZZRX-UHFFFAOYSA-N 2 1 236.363 1.479 20 0 BDADMP C[NH+](C)C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127757015 172398568 /nfs/dbraw/zinc/39/85/68/172398568.db2.gz ACADFWCLNGWPQD-QWHCGFSZSA-N 3 1 239.407 1.543 20 0 BDADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@H]1O ZINC000352665061 172706700 /nfs/dbraw/zinc/70/67/00/172706700.db2.gz DEVKFXBFFCBGPE-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CCCCC2)C1 ZINC000336759829 173137613 /nfs/dbraw/zinc/13/76/13/173137613.db2.gz JEZCEWJRBONGLP-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CCCCC2)C1 ZINC000336759829 173137615 /nfs/dbraw/zinc/13/76/15/173137615.db2.gz JEZCEWJRBONGLP-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000335642484 173138817 /nfs/dbraw/zinc/13/88/17/173138817.db2.gz WPFXPKNXOYXHBS-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000335642484 173138821 /nfs/dbraw/zinc/13/88/21/173138821.db2.gz WPFXPKNXOYXHBS-DGCLKSJQSA-N 2 1 226.364 1.221 20 0 BDADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCCO)C2)C1 ZINC000309346832 173138958 /nfs/dbraw/zinc/13/89/58/173138958.db2.gz MJHXGNXCSVCPNH-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCCO)C2)C1 ZINC000309346832 173138959 /nfs/dbraw/zinc/13/89/59/173138959.db2.gz MJHXGNXCSVCPNH-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCCO)C2)C1 ZINC000309346832 173138960 /nfs/dbraw/zinc/13/89/60/173138960.db2.gz MJHXGNXCSVCPNH-CYBMUJFWSA-N 2 1 226.364 1.177 20 0 BDADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCF)[C@H]2C1 ZINC000367423915 173160669 /nfs/dbraw/zinc/16/06/69/173160669.db2.gz NQTOXGYUSUNXPV-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@H+]1CC[C@H]2CC[NH+](CCCF)[C@H]2C1 ZINC000367423915 173160671 /nfs/dbraw/zinc/16/06/71/173160671.db2.gz NQTOXGYUSUNXPV-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC000367423915 173160673 /nfs/dbraw/zinc/16/06/73/173160673.db2.gz NQTOXGYUSUNXPV-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC000367423915 173160675 /nfs/dbraw/zinc/16/06/75/173160675.db2.gz NQTOXGYUSUNXPV-QWRGUYRKSA-N 2 1 200.301 1.372 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000338008134 173164125 /nfs/dbraw/zinc/16/41/25/173164125.db2.gz BOJDJUJAECFTEB-IHRRRGAJSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000338008134 173164127 /nfs/dbraw/zinc/16/41/27/173164127.db2.gz BOJDJUJAECFTEB-IHRRRGAJSA-N 2 1 238.375 1.221 20 0 BDADMP C[N@H+]1CC[C@]2(CC[NH+](CC3(C)COC3)C2)C1 ZINC000336664947 173168229 /nfs/dbraw/zinc/16/82/29/173168229.db2.gz LFEIXCQUTPITFK-ZDUSSCGKSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@H+](CC3(C)COC3)C2)C1 ZINC000336664947 173168231 /nfs/dbraw/zinc/16/82/31/173168231.db2.gz LFEIXCQUTPITFK-ZDUSSCGKSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3(C)COC3)C2)C1 ZINC000336664947 173168233 /nfs/dbraw/zinc/16/82/33/173168233.db2.gz LFEIXCQUTPITFK-ZDUSSCGKSA-N 2 1 224.348 1.051 20 0 BDADMP C[NH2+]CC1CC[NH+](Cc2cscn2)CC1 ZINC000063166080 173338540 /nfs/dbraw/zinc/33/85/40/173338540.db2.gz DMQMWPPEFQUWGP-UHFFFAOYSA-N 2 1 225.361 1.575 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336659447 173347011 /nfs/dbraw/zinc/34/70/11/173347011.db2.gz BXLKWVINXOTVKC-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000019933353 173369035 /nfs/dbraw/zinc/36/90/35/173369035.db2.gz IRGGPLMTTHLKEK-AWEZNQCLSA-N 2 1 218.344 1.913 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000019933353 173369037 /nfs/dbraw/zinc/36/90/37/173369037.db2.gz IRGGPLMTTHLKEK-AWEZNQCLSA-N 2 1 218.344 1.913 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC000308481677 173370145 /nfs/dbraw/zinc/37/01/45/173370145.db2.gz NAJXNRYICOJGHB-NSHDSACASA-N 2 1 202.317 1.668 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000053033258 173370714 /nfs/dbraw/zinc/37/07/14/173370714.db2.gz WRNJTKVGSAXZQQ-ZDUSSCGKSA-N 2 1 234.343 1.607 20 0 BDADMP C[NH2+]C[C@@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000070800283 173371105 /nfs/dbraw/zinc/37/11/05/173371105.db2.gz YLBQQWGKLITCIE-NSHDSACASA-N 2 1 205.305 1.436 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000223650650 173381717 /nfs/dbraw/zinc/38/17/17/173381717.db2.gz DMCQVHFLWACOOH-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP COCCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1 ZINC000234692449 174144356 /nfs/dbraw/zinc/14/43/56/174144356.db2.gz YUFWWKCSLIAOHA-JTQLQIEISA-N 2 1 200.326 1.001 20 0 BDADMP COCCCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000309461461 174176952 /nfs/dbraw/zinc/17/69/52/174176952.db2.gz OXXHKGYWYHDTIC-RYUDHWBXSA-N 2 1 214.353 1.472 20 0 BDADMP COCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000117883634 174192677 /nfs/dbraw/zinc/19/26/77/174192677.db2.gz IUYNYKBWPHBHSK-LBPRGKRZSA-N 2 1 214.353 1.297 20 0 BDADMP COCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000117883636 174193895 /nfs/dbraw/zinc/19/38/95/174193895.db2.gz IUYNYKBWPHBHSK-GFCCVEGCSA-N 2 1 214.353 1.297 20 0 BDADMP COCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308803255 174194627 /nfs/dbraw/zinc/19/46/27/174194627.db2.gz ACJQSOBMDHXOIT-RYUDHWBXSA-N 2 1 212.337 1.097 20 0 BDADMP COCC[N@@H+](CC(C)C)C[C@H]([NH3+])CC(C)C ZINC000042370830 174287778 /nfs/dbraw/zinc/28/77/78/174287778.db2.gz FGKIVBQNRAQZIH-CYBMUJFWSA-N 2 1 230.396 1.964 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000336779259 174304632 /nfs/dbraw/zinc/30/46/32/174304632.db2.gz NSEGRBZPMMUATR-WCQYABFASA-N 2 1 226.364 1.485 20 0 BDADMP COCC[NH+]1CCC([NH2+][C@@H]2CC2(C)C)CC1 ZINC000336783024 174304669 /nfs/dbraw/zinc/30/46/69/174304669.db2.gz ZGQRBOCVJDWAJD-GFCCVEGCSA-N 2 1 226.364 1.485 20 0 BDADMP COCCOCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336714480 174352593 /nfs/dbraw/zinc/35/25/93/174352593.db2.gz PBJWWTGFLWIUBY-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCCOCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336714480 174352594 /nfs/dbraw/zinc/35/25/94/174352594.db2.gz PBJWWTGFLWIUBY-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCCOCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000336714480 174352595 /nfs/dbraw/zinc/35/25/95/174352595.db2.gz PBJWWTGFLWIUBY-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COCCOCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000336714480 174352596 /nfs/dbraw/zinc/35/25/96/174352596.db2.gz PBJWWTGFLWIUBY-CYBMUJFWSA-N 2 1 244.379 1.066 20 0 BDADMP COC[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169767 174539440 /nfs/dbraw/zinc/53/94/40/174539440.db2.gz NTCGGVFHTUSYOR-WDEREUQCSA-N 2 1 200.326 1.082 20 0 BDADMP CC[C@@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000383493980 487629680 /nfs/dbraw/zinc/62/96/80/487629680.db2.gz BGSJGYONQXGKRT-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000383493980 487629687 /nfs/dbraw/zinc/62/96/87/487629687.db2.gz BGSJGYONQXGKRT-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[C@@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383493980 487629693 /nfs/dbraw/zinc/62/96/93/487629693.db2.gz BGSJGYONQXGKRT-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH3+] ZINC000037712577 175207381 /nfs/dbraw/zinc/20/73/81/175207381.db2.gz XCSZIDSOHIODJJ-CYBMUJFWSA-N 2 1 220.316 1.621 20 0 BDADMP COc1cccc(CC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000360244723 175252427 /nfs/dbraw/zinc/25/24/27/175252427.db2.gz FVGSRMFIKATGLL-UHFFFAOYSA-N 2 1 249.358 1.317 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000251894871 175259446 /nfs/dbraw/zinc/25/94/46/175259446.db2.gz VWCBZWSJGSRPBH-BXUZGUMPSA-N 2 1 234.343 1.864 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000107936006 175260593 /nfs/dbraw/zinc/26/05/93/175260593.db2.gz PQSUTFOCNBHPOK-DGCLKSJQSA-N 2 1 234.343 1.864 20 0 BDADMP COc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000107936010 175260599 /nfs/dbraw/zinc/26/05/99/175260599.db2.gz PQSUTFOCNBHPOK-YPMHNXCESA-N 2 1 234.343 1.864 20 0 BDADMP C[C@@H](c1ccncc1)[N@@H+](C)CCn1ccnc1 ZINC000162440216 176034700 /nfs/dbraw/zinc/03/47/00/176034700.db2.gz DEGWWQNPMRJIBO-LBPRGKRZSA-N 2 1 230.315 1.971 20 0 BDADMP C[C@@H]1CC([NH2+][C@H]2CCc3[nH]cnc3C2)C[C@@H](C)O1 ZINC000368091201 176055438 /nfs/dbraw/zinc/05/54/38/176055438.db2.gz VVHLEUKJCHSGQR-MXWKQRLJSA-N 2 1 249.358 1.813 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358174743 176085196 /nfs/dbraw/zinc/08/51/96/176085196.db2.gz ZBIRGBUPBVPWDR-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358174743 176085199 /nfs/dbraw/zinc/08/51/99/176085199.db2.gz ZBIRGBUPBVPWDR-HZSPNIEDSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000309786564 176123793 /nfs/dbraw/zinc/12/37/93/176123793.db2.gz OFOFRRBAKJGJPX-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000309786564 176123794 /nfs/dbraw/zinc/12/37/94/176123794.db2.gz OFOFRRBAKJGJPX-JHJVBQTASA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000051732089 176171417 /nfs/dbraw/zinc/17/14/17/176171417.db2.gz JYJZSNLPKNKMBP-CHWSQXEVSA-N 2 1 225.380 1.012 20 0 BDADMP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229060315 176180531 /nfs/dbraw/zinc/18/05/31/176180531.db2.gz CMTUOYVOEGGJQA-UTUOFQBUSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229060315 176180532 /nfs/dbraw/zinc/18/05/32/176180532.db2.gz CMTUOYVOEGGJQA-UTUOFQBUSA-N 2 1 234.347 1.454 20 0 BDADMP C[C@@H]1C[N@@H+](C)CCN1CC[NH2+]C(C)(C)C ZINC000235475508 176267845 /nfs/dbraw/zinc/26/78/45/176267845.db2.gz MDDPSAHYGHVDCA-LLVKDONJSA-N 2 1 213.369 1.010 20 0 BDADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C1CC1 ZINC000361183622 176271046 /nfs/dbraw/zinc/27/10/46/176271046.db2.gz ZGMDOTDAWXQROL-YRGRVCCFSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000361183622 176271047 /nfs/dbraw/zinc/27/10/47/176271047.db2.gz ZGMDOTDAWXQROL-YRGRVCCFSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000361183622 176271048 /nfs/dbraw/zinc/27/10/48/176271048.db2.gz ZGMDOTDAWXQROL-YRGRVCCFSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000305159223 176277898 /nfs/dbraw/zinc/27/78/98/176277898.db2.gz WOIXXHIVVGLFBR-FVCCEPFGSA-N 2 1 242.407 1.712 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000128236606 176278400 /nfs/dbraw/zinc/27/84/00/176278400.db2.gz MEBWZHRODJBBNR-LBELIVKGSA-N 2 1 240.391 1.464 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[NH+]1CCCC1 ZINC000036908133 176278537 /nfs/dbraw/zinc/27/85/37/176278537.db2.gz ZNSVSRMSNJOANO-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCCC1 ZINC000036908133 176278539 /nfs/dbraw/zinc/27/85/39/176278539.db2.gz ZNSVSRMSNJOANO-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCCC1 ZINC000036908133 176278540 /nfs/dbraw/zinc/27/85/40/176278540.db2.gz ZNSVSRMSNJOANO-MGPQQGTHSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](C)CC1 ZINC000036908597 176279147 /nfs/dbraw/zinc/27/91/47/176279147.db2.gz OYZLVNPZPCHLKQ-BZPMIXESSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1[NH3+] ZINC000302252395 176288714 /nfs/dbraw/zinc/28/87/14/176288714.db2.gz LEEPTTAGVCAKLI-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1[NH3+] ZINC000302252395 176288716 /nfs/dbraw/zinc/28/87/16/176288716.db2.gz LEEPTTAGVCAKLI-TZMCWYRMSA-N 2 1 240.391 1.862 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251694893 176294715 /nfs/dbraw/zinc/29/47/15/176294715.db2.gz IMXDXAUKJSDLQD-GRYCIOLGSA-N 2 1 212.337 1.225 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000309733765 176344291 /nfs/dbraw/zinc/34/42/91/176344291.db2.gz BUVIQXSGDQZPHM-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000305856985 176344477 /nfs/dbraw/zinc/34/44/77/176344477.db2.gz MUNBLICMPSBPOV-MGPQQGTHSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccnc1 ZINC000122329198 176367747 /nfs/dbraw/zinc/36/77/47/176367747.db2.gz SDQQBWIEYVEAPQ-PWSUYJOCSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000223563023 176368210 /nfs/dbraw/zinc/36/82/10/176368210.db2.gz JJMNVTOQGJEKTI-KOLCDFICSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(O)cc(F)c1 ZINC000223563023 176368213 /nfs/dbraw/zinc/36/82/13/176368213.db2.gz JJMNVTOQGJEKTI-KOLCDFICSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC(O)C2)CC[N@H+]1C ZINC000309789856 176374701 /nfs/dbraw/zinc/37/47/01/176374701.db2.gz OYMMAGZTPAKKHO-IGJPJIBNSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CC2)CC[N@H+]1C ZINC000336741623 176376170 /nfs/dbraw/zinc/37/61/70/176376170.db2.gz NHHLJFKHTXMYPP-WXHSDQCUSA-N 2 1 226.364 1.077 20 0 BDADMP C[C@H](c1ccccc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313383727 177038271 /nfs/dbraw/zinc/03/82/71/177038271.db2.gz JKRVEHOBUXUYHI-OCCSQVGLSA-N 2 1 234.343 1.797 20 0 BDADMP C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000310334035 177099231 /nfs/dbraw/zinc/09/92/31/177099231.db2.gz KVIKTHGXIAHKER-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000310334035 177099233 /nfs/dbraw/zinc/09/92/33/177099233.db2.gz KVIKTHGXIAHKER-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000310334035 177099235 /nfs/dbraw/zinc/09/92/35/177099235.db2.gz KVIKTHGXIAHKER-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000310334035 177099237 /nfs/dbraw/zinc/09/92/37/177099237.db2.gz KVIKTHGXIAHKER-JSGCOSHPSA-N 2 1 240.391 1.564 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)CO)C[C@@H]1C ZINC000678043914 487637127 /nfs/dbraw/zinc/63/71/27/487637127.db2.gz JEIFNIDZYKKMMW-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)CO)C[C@@H]1C ZINC000678043914 487637132 /nfs/dbraw/zinc/63/71/32/487637132.db2.gz JEIFNIDZYKKMMW-AGIUHOORSA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)CO)C[C@@H]1C ZINC000678043921 487637585 /nfs/dbraw/zinc/63/75/85/487637585.db2.gz JEIFNIDZYKKMMW-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)CO)C[C@@H]1C ZINC000678043921 487637588 /nfs/dbraw/zinc/63/75/88/487637588.db2.gz JEIFNIDZYKKMMW-AVGNSLFASA-N 2 1 228.380 1.419 20 0 BDADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352902877 177242017 /nfs/dbraw/zinc/24/20/17/177242017.db2.gz SPFLNQHMZATZCE-OUCADQQQSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000352902877 177242018 /nfs/dbraw/zinc/24/20/18/177242018.db2.gz SPFLNQHMZATZCE-OUCADQQQSA-N 2 1 239.407 1.399 20 0 BDADMP C[C@H]1COCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000309657733 177294923 /nfs/dbraw/zinc/29/49/23/177294923.db2.gz AHOMNORDUJCSIM-AAEUAGOBSA-N 2 1 224.348 1.263 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223217493 177301487 /nfs/dbraw/zinc/30/14/87/177301487.db2.gz NQPUKESXVSIXMQ-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP C[C@H]1C[C@@H](C[N@@H+](C)CCOCC2CC2)CC[NH2+]1 ZINC000235697366 177323689 /nfs/dbraw/zinc/32/36/89/177323689.db2.gz BFNXLOKAPBPOMT-JSGCOSHPSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000223563079 177324541 /nfs/dbraw/zinc/32/45/41/177324541.db2.gz JJMNVTOQGJEKTI-ONGXEEELSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(O)cc(F)c1 ZINC000223563079 177324542 /nfs/dbraw/zinc/32/45/42/177324542.db2.gz JJMNVTOQGJEKTI-ONGXEEELSA-N 2 1 238.306 1.700 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccs1 ZINC000126712319 177324919 /nfs/dbraw/zinc/32/49/19/177324919.db2.gz NDKVMJFEXHNQOS-UWVGGRQHSA-N 2 1 210.346 1.917 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1F ZINC000122306110 177325021 /nfs/dbraw/zinc/32/50/21/177325021.db2.gz RTTHBULMCQWFEZ-QWRGUYRKSA-N 2 1 222.307 1.995 20 0 BDADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(O)c1 ZINC000126771748 177325159 /nfs/dbraw/zinc/32/51/59/177325159.db2.gz OWTMIZDXPMWYME-JQWIXIFHSA-N 2 1 220.316 1.561 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCOCC2CC2)CC[N@@H+]1C ZINC000123137201 177326690 /nfs/dbraw/zinc/32/66/90/177326690.db2.gz PMWBVINTCFOLMO-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@@H]([NH+](C)CCOCC2CC2)CC[N@H+]1C ZINC000123137201 177326692 /nfs/dbraw/zinc/32/66/92/177326692.db2.gz PMWBVINTCFOLMO-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@@H]([N@H+](C)CCOCC2CC2)CC[NH+]1C ZINC000123137201 177326694 /nfs/dbraw/zinc/32/66/94/177326694.db2.gz PMWBVINTCFOLMO-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC2CC2)CC[NH+]1C ZINC000123137201 177326696 /nfs/dbraw/zinc/32/66/96/177326696.db2.gz PMWBVINTCFOLMO-JSGCOSHPSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccnc1 ZINC000049712454 177327825 /nfs/dbraw/zinc/32/78/25/177327825.db2.gz GUBKNOPREMAFPC-JQWIXIFHSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccnc1 ZINC000049712454 177327828 /nfs/dbraw/zinc/32/78/28/177327828.db2.gz GUBKNOPREMAFPC-JQWIXIFHSA-N 2 1 205.305 1.393 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000045663923 177330865 /nfs/dbraw/zinc/33/08/65/177330865.db2.gz SWGJRMYSHFCPFX-HZSPNIEDSA-N 3 1 241.423 1.647 20 0 BDADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000045663923 177330867 /nfs/dbraw/zinc/33/08/67/177330867.db2.gz SWGJRMYSHFCPFX-HZSPNIEDSA-N 2 1 241.423 1.647 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccccc1 ZINC000132406910 177361220 /nfs/dbraw/zinc/36/12/20/177361220.db2.gz QSOBLXHFWHDKKA-QWHCGFSZSA-N 2 1 234.343 1.735 20 0 BDADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334141051 177361735 /nfs/dbraw/zinc/36/17/35/177361735.db2.gz DOQIKTSGDHRSQX-CMPLNLGQSA-N 2 1 244.342 1.732 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CC2(C)COC2)CC[N@@H+]1C ZINC000336694963 177364206 /nfs/dbraw/zinc/36/42/06/177364206.db2.gz FLJZKTZBSCMZAK-NWDGAFQWSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@H]1C[C@H]([NH+](C)CC2(C)COC2)CC[N@H+]1C ZINC000336694963 177364208 /nfs/dbraw/zinc/36/42/08/177364208.db2.gz FLJZKTZBSCMZAK-NWDGAFQWSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@H]1C[C@H]([N@H+](C)CC2(C)COC2)CC[NH+]1C ZINC000336694963 177364209 /nfs/dbraw/zinc/36/42/09/177364209.db2.gz FLJZKTZBSCMZAK-NWDGAFQWSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@H]1C[C@H]([N@@H+](C)CC2(C)COC2)CC[NH+]1C ZINC000336694963 177364211 /nfs/dbraw/zinc/36/42/11/177364211.db2.gz FLJZKTZBSCMZAK-NWDGAFQWSA-N 2 1 226.364 1.437 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCOCC1 ZINC000036908723 177368823 /nfs/dbraw/zinc/36/88/23/177368823.db2.gz XELTYXTXWBUVBC-MDZLAQPJSA-N 2 1 226.364 1.484 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC[NH+]1CCCC1 ZINC000036908132 177369311 /nfs/dbraw/zinc/36/93/11/177369311.db2.gz ZNSVSRMSNJOANO-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCCC1 ZINC000036908132 177369312 /nfs/dbraw/zinc/36/93/12/177369312.db2.gz ZNSVSRMSNJOANO-RDBSUJKOSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@H]1C[C@H]([NH2+]CCc2ccncc2)CC[N@H+]1C ZINC000156642363 177369895 /nfs/dbraw/zinc/36/98/95/177369895.db2.gz QQEQQSXKUOYMDS-GXTWGEPZSA-N 2 1 233.359 1.696 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC000090721485 177369907 /nfs/dbraw/zinc/36/99/07/177369907.db2.gz ABBALKRZIRVNSV-WCQYABFASA-N 2 1 219.332 1.654 20 0 BDADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2)CC[N@H+]1C ZINC000090721485 177369909 /nfs/dbraw/zinc/36/99/09/177369909.db2.gz ABBALKRZIRVNSV-WCQYABFASA-N 2 1 219.332 1.654 20 0 BDADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cnccn1 ZINC000341901521 177370713 /nfs/dbraw/zinc/37/07/13/177370713.db2.gz YWNSGEWQDQZGNX-DYEKYZERSA-N 2 1 248.374 1.337 20 0 BDADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000328276572 487641835 /nfs/dbraw/zinc/64/18/35/487641835.db2.gz QWUHCPJUENBEAU-MCIONIFRSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000328276572 487641842 /nfs/dbraw/zinc/64/18/42/487641842.db2.gz QWUHCPJUENBEAU-MCIONIFRSA-N 2 1 239.407 1.543 20 0 BDADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000328276572 487641847 /nfs/dbraw/zinc/64/18/47/487641847.db2.gz QWUHCPJUENBEAU-MCIONIFRSA-N 2 1 239.407 1.543 20 0 BDADMP CO[C@@H]([C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400335726 225014792 /nfs/dbraw/zinc/01/47/92/225014792.db2.gz FVYYRWODYILGLA-DJIHRAIXSA-N 2 1 226.364 1.530 20 0 BDADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000401737833 225230575 /nfs/dbraw/zinc/23/05/75/225230575.db2.gz ZWSMWSBTKGUXOO-KGYLQXTDSA-N 2 1 219.332 1.741 20 0 BDADMP COC[C@@]1(C)CC[N@@H+](CCn2ccnc2C)C1 ZINC000487033611 225282741 /nfs/dbraw/zinc/28/27/41/225282741.db2.gz HLYZORCBYCZGJL-ZDUSSCGKSA-N 2 1 237.347 1.550 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000400362181 226341916 /nfs/dbraw/zinc/34/19/16/226341916.db2.gz CKWBIUWQIOMPDW-REWJHTLYSA-N 2 1 237.391 1.343 20 0 BDADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400396367 226342616 /nfs/dbraw/zinc/34/26/16/226342616.db2.gz JLSOLFZDXKOLLH-WCQGTBRESA-N 2 1 212.337 1.142 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000314980959 487669202 /nfs/dbraw/zinc/66/92/02/487669202.db2.gz XNMSAOJEDQLSFF-RYUDHWBXSA-N 2 1 236.363 1.022 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC000228546973 487673034 /nfs/dbraw/zinc/67/30/34/487673034.db2.gz WYZDQOHANGRXNG-XJFOESAGSA-N 2 1 238.375 1.615 20 0 BDADMP C[NH2+]CC[NH2+][C@H](C)CCc1ccccc1F ZINC000414838116 487693618 /nfs/dbraw/zinc/69/36/18/487693618.db2.gz YPWWSLAOAQVTNP-LLVKDONJSA-N 2 1 224.323 1.956 20 0 BDADMP CC[NH2+]CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000228713515 487718361 /nfs/dbraw/zinc/71/83/61/487718361.db2.gz JIYVQNDWMPCVJM-LBPRGKRZSA-N 2 1 234.343 1.752 20 0 BDADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccn2)CC[C@H]1F ZINC001206167493 974887961 /nfs/dbraw/zinc/88/79/61/974887961.db2.gz ZHUHBQIEUXXPNH-NEPJUHHUSA-N 2 1 223.295 1.343 20 0 BDADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCCCO ZINC000398629633 487722632 /nfs/dbraw/zinc/72/26/32/487722632.db2.gz QPBILJZDPXFUHL-VXGBXAGGSA-N 2 1 216.369 1.501 20 0 BDADMP CCO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250483476 487732780 /nfs/dbraw/zinc/73/27/80/487732780.db2.gz GJRWQSGRFXYQMH-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP COCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000222631454 487742438 /nfs/dbraw/zinc/74/24/38/487742438.db2.gz XFOAUPHLXATCJG-MJBXVCDLSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000233785635 487742734 /nfs/dbraw/zinc/74/27/34/487742734.db2.gz FQTGZIPVFXACNX-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP C(C[N@H+]1CC[C@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000250820966 487742542 /nfs/dbraw/zinc/74/25/42/487742542.db2.gz GDFVPWRMLFEQFA-KGLIPLIRSA-N 2 1 237.391 1.156 20 0 BDADMP C(CN1CC[C@H]([NH+]2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000250820966 487742547 /nfs/dbraw/zinc/74/25/47/487742547.db2.gz GDFVPWRMLFEQFA-KGLIPLIRSA-N 2 1 237.391 1.156 20 0 BDADMP COc1ccncc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000311187979 487753124 /nfs/dbraw/zinc/75/31/24/487753124.db2.gz CWPKGSHYJOUWNZ-NWDGAFQWSA-N 2 1 249.358 1.507 20 0 BDADMP COc1ccncc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000311187979 487753133 /nfs/dbraw/zinc/75/31/33/487753133.db2.gz CWPKGSHYJOUWNZ-NWDGAFQWSA-N 2 1 249.358 1.507 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC2)[C@@H]2CCC[C@@H]21 ZINC000671749741 487765575 /nfs/dbraw/zinc/76/55/75/487765575.db2.gz NCSOZURWYMQWPA-AVGNSLFASA-N 2 1 238.375 1.221 20 0 BDADMP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000668458690 487782458 /nfs/dbraw/zinc/78/24/58/487782458.db2.gz HKJBVBYQUSHCKU-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000668458690 487782462 /nfs/dbraw/zinc/78/24/62/487782462.db2.gz HKJBVBYQUSHCKU-CHWSQXEVSA-N 2 1 240.391 1.875 20 0 BDADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccncc1 ZINC000675926549 487792242 /nfs/dbraw/zinc/79/22/42/487792242.db2.gz CKAWNAAAVHLMOJ-GFCCVEGCSA-N 2 1 233.359 1.869 20 0 BDADMP CC[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)CC[C@H]1[NH3+] ZINC000251868621 487803600 /nfs/dbraw/zinc/80/36/00/487803600.db2.gz UFNQSYLQQQMIRM-QJPTWQEYSA-N 2 1 234.347 1.597 20 0 BDADMP CC[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)CC[C@H]1[NH3+] ZINC000251868621 487803605 /nfs/dbraw/zinc/80/36/05/487803605.db2.gz UFNQSYLQQQMIRM-QJPTWQEYSA-N 2 1 234.347 1.597 20 0 BDADMP C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1CCC[NH3+] ZINC000414757572 487821466 /nfs/dbraw/zinc/82/14/66/487821466.db2.gz LJELVOXNQUQKOQ-IUCAKERBSA-N 2 1 224.270 1.998 20 0 BDADMP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000676314264 487836051 /nfs/dbraw/zinc/83/60/51/487836051.db2.gz PLUVJQXVEAEZQS-RYUDHWBXSA-N 2 1 235.331 1.521 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000309912009 487847435 /nfs/dbraw/zinc/84/74/35/487847435.db2.gz SEDOYZFCQPYMML-HIFRSBDPSA-N 2 1 248.370 1.872 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666623357 487847574 /nfs/dbraw/zinc/84/75/74/487847574.db2.gz OYTCHZAQXWIYOJ-IHRRRGAJSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)CC(C)(C)C)CC[NH2+]1 ZINC000666639245 487849673 /nfs/dbraw/zinc/84/96/73/487849673.db2.gz PNDQFFNPYSWVBI-OLZOCXBDSA-N 2 1 242.407 1.715 20 0 BDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC[NH3+])C1 ZINC000666645405 487850638 /nfs/dbraw/zinc/85/06/38/487850638.db2.gz RVUBPUDIWXEWRS-HNNXBMFYSA-N 2 1 247.386 1.542 20 0 BDADMP Cc1cn2c(n1)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000666699042 487862212 /nfs/dbraw/zinc/86/22/12/487862212.db2.gz CFFCDUCNLVGHPO-WCQYABFASA-N 2 1 248.374 1.395 20 0 BDADMP Cc1cn2c(n1)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000666699042 487862214 /nfs/dbraw/zinc/86/22/14/487862214.db2.gz CFFCDUCNLVGHPO-WCQYABFASA-N 2 1 248.374 1.395 20 0 BDADMP CC(C)([NH3+])C[NH2+]Cc1ccccc1-n1cncn1 ZINC000666750824 487870764 /nfs/dbraw/zinc/87/07/64/487870764.db2.gz GTMQPTVDVMUKDG-UHFFFAOYSA-N 2 1 245.330 1.094 20 0 BDADMP CCc1nn(C)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000666881429 487895824 /nfs/dbraw/zinc/89/58/24/487895824.db2.gz TXFGSTMBSOSUPS-UHFFFAOYSA-N 2 1 236.363 1.214 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccccn23)CC[NH2+]1 ZINC000666872546 487895472 /nfs/dbraw/zinc/89/54/72/487895472.db2.gz QLDMXEYUNWUHRT-VXGBXAGGSA-N 2 1 244.342 1.564 20 0 BDADMP CCc1nn(C)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000666873278 487895956 /nfs/dbraw/zinc/89/59/56/487895956.db2.gz WAGZLFFXTRVXIQ-PWSUYJOCSA-N 2 1 236.363 1.213 20 0 BDADMP C[NH+]1CCC([NH2+]CCC(C)(F)F)CC1 ZINC000357704845 487916844 /nfs/dbraw/zinc/91/68/44/487916844.db2.gz FVRVDGISJRWLAQ-UHFFFAOYSA-N 2 1 206.280 1.716 20 0 BDADMP CCN(CC)C[C@H](C)[NH2+]Cc1cncn1CC ZINC000090172951 487919721 /nfs/dbraw/zinc/91/97/21/487919721.db2.gz DFWQQRFHYBDSMN-LBPRGKRZSA-N 2 1 238.379 1.723 20 0 BDADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000381069656 487930687 /nfs/dbraw/zinc/93/06/87/487930687.db2.gz NUJIBFZSESSRGP-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000381069656 487930691 /nfs/dbraw/zinc/93/06/91/487930691.db2.gz NUJIBFZSESSRGP-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000381069656 487930695 /nfs/dbraw/zinc/93/06/95/487930695.db2.gz NUJIBFZSESSRGP-CYBMUJFWSA-N 2 1 228.380 1.562 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000381084277 487931007 /nfs/dbraw/zinc/93/10/07/487931007.db2.gz SGQJPHXDTOHHRY-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000381084277 487931012 /nfs/dbraw/zinc/93/10/12/487931012.db2.gz SGQJPHXDTOHHRY-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000381084277 487931018 /nfs/dbraw/zinc/93/10/18/487931018.db2.gz SGQJPHXDTOHHRY-FRRDWIJNSA-N 2 1 228.380 1.418 20 0 BDADMP FC1(F)C[C@@]12CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000652364254 487932944 /nfs/dbraw/zinc/93/29/44/487932944.db2.gz BMYWDYSCIZAHLC-NXEZZACHSA-N 2 1 216.275 1.327 20 0 BDADMP Cc1ncc(CNc2nc(N(C)C)cc[nH+]2)n1C ZINC000566491566 323002350 /nfs/dbraw/zinc/00/23/50/323002350.db2.gz VHQFDQVXPWKZOU-UHFFFAOYSA-N 2 1 246.318 1.197 20 0 BDADMP C[C@H](C[S@@](C)=O)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000126272628 323003195 /nfs/dbraw/zinc/00/31/95/323003195.db2.gz DRDSIUZLOUFCTK-WQGACYEGSA-N 2 1 246.420 1.170 20 0 BDADMP C[C@H](C[S@@](C)=O)[N@H+](C)CC[C@@H]1CCCN1C ZINC000126272628 323003196 /nfs/dbraw/zinc/00/31/96/323003196.db2.gz DRDSIUZLOUFCTK-WQGACYEGSA-N 2 1 246.420 1.170 20 0 BDADMP C[C@H](C[S@@](C)=O)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000126272628 323003197 /nfs/dbraw/zinc/00/31/97/323003197.db2.gz DRDSIUZLOUFCTK-WQGACYEGSA-N 2 1 246.420 1.170 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)COC)[C@H](C)C1 ZINC000247161048 323012318 /nfs/dbraw/zinc/01/23/18/323012318.db2.gz UEJRSMKBGCPYOA-XQQFMLRXSA-N 2 1 228.380 1.589 20 0 BDADMP CC[NH2+]CCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000567638906 323034230 /nfs/dbraw/zinc/03/42/30/323034230.db2.gz VDXHRXMQVUKGHU-GFCCVEGCSA-N 2 1 236.363 1.387 20 0 BDADMP COC(=O)CC1([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC000572726005 323037423 /nfs/dbraw/zinc/03/74/23/323037423.db2.gz DPJSGYLWMREFIP-LLVKDONJSA-N 2 1 240.347 1.156 20 0 BDADMP CNC(=O)[C@H](C)C[N@@H+](C)CCc1ccncc1C ZINC000569718497 323038931 /nfs/dbraw/zinc/03/89/31/323038931.db2.gz BAHWPOZDXYYCAS-GFCCVEGCSA-N 2 1 249.358 1.246 20 0 BDADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000570274620 323054518 /nfs/dbraw/zinc/05/45/18/323054518.db2.gz UXQQIRAUNFEBKI-QJPTWQEYSA-N 2 1 228.405 1.812 20 0 BDADMP C[C@@H](O)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000562988587 323078312 /nfs/dbraw/zinc/07/83/12/323078312.db2.gz QCEHVTAPQZXZON-HZSPNIEDSA-N 2 1 242.407 1.857 20 0 BDADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCCO1 ZINC000390310894 323084274 /nfs/dbraw/zinc/08/42/74/323084274.db2.gz FWKQWDOFEUJTMM-XQQFMLRXSA-N 2 1 224.348 1.097 20 0 BDADMP C(C[NH+]1CCCC1)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069732 323084542 /nfs/dbraw/zinc/08/45/42/323084542.db2.gz IWXDUIPBHNLEIR-KGLIPLIRSA-N 2 1 238.375 1.583 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000563154081 323095847 /nfs/dbraw/zinc/09/58/47/323095847.db2.gz FVBLLNLFYITXJJ-CMPLNLGQSA-N 2 1 234.347 1.053 20 0 BDADMP CC[NH+]1CCC(NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000531727715 323111570 /nfs/dbraw/zinc/11/15/70/323111570.db2.gz JAYZHESMRIJNPG-CYBMUJFWSA-N 2 1 239.407 1.402 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](C)C2)CC[N@H+]1C ZINC000247982332 323133961 /nfs/dbraw/zinc/13/39/61/323133961.db2.gz INDOTURNRCUUBV-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](C)C2)CC[NH+]1C ZINC000247982332 323133962 /nfs/dbraw/zinc/13/39/62/323133962.db2.gz INDOTURNRCUUBV-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1C ZINC000247982332 323133963 /nfs/dbraw/zinc/13/39/63/323133963.db2.gz INDOTURNRCUUBV-MCIONIFRSA-N 2 1 239.407 1.401 20 0 BDADMP CC[NH2+]CC1CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000414654601 323150967 /nfs/dbraw/zinc/15/09/67/323150967.db2.gz CHARVEYJSTUGDZ-UHFFFAOYSA-N 2 1 236.363 1.540 20 0 BDADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000530218953 323217856 /nfs/dbraw/zinc/21/78/56/323217856.db2.gz IHPHXLORXFYZHQ-DGCLKSJQSA-N 2 1 249.358 1.220 20 0 BDADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C(C)C ZINC000395761640 323241667 /nfs/dbraw/zinc/24/16/67/323241667.db2.gz AIXCPTHBYBJLSX-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C(C)C ZINC000395761640 323241668 /nfs/dbraw/zinc/24/16/68/323241668.db2.gz AIXCPTHBYBJLSX-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC000395761640 323241669 /nfs/dbraw/zinc/24/16/69/323241669.db2.gz AIXCPTHBYBJLSX-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1C(C)C ZINC000395761640 323241671 /nfs/dbraw/zinc/24/16/71/323241671.db2.gz AIXCPTHBYBJLSX-KGLIPLIRSA-N 2 1 242.407 1.810 20 0 BDADMP Cc1ncsc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400495875 323441324 /nfs/dbraw/zinc/44/13/24/323441324.db2.gz AYAJTXMKPHYEIF-ONGXEEELSA-N 2 1 239.388 1.724 20 0 BDADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000528005500 323746152 /nfs/dbraw/zinc/74/61/52/323746152.db2.gz SYWTXKATXSYESK-UHXUPSOCSA-N 2 1 240.391 1.872 20 0 BDADMP CCSCC[NH+]1CCC([NH+](C)C)CC1 ZINC000130233269 325027756 /nfs/dbraw/zinc/02/77/56/325027756.db2.gz HGNPDAUUKQXNHV-UHFFFAOYSA-N 2 1 216.394 1.766 20 0 BDADMP COC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131903011 325190436 /nfs/dbraw/zinc/19/04/36/325190436.db2.gz HPEQPLBULCGKMK-RLAWYHOSSA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000133406966 325293960 /nfs/dbraw/zinc/29/39/60/325293960.db2.gz IYRVQPZFDDFCSY-TUAOUCFPSA-N 2 1 214.353 1.341 20 0 BDADMP FC1(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000566229863 326018201 /nfs/dbraw/zinc/01/82/01/326018201.db2.gz PSTFNOIJHVZVNW-RYUDHWBXSA-N 2 1 226.339 1.810 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cnccn1 ZINC000566302698 326031369 /nfs/dbraw/zinc/03/13/69/326031369.db2.gz KFIAEFROELAQJR-LBPRGKRZSA-N 2 1 234.347 1.298 20 0 BDADMP CC[C@@H](c1nc(C[C@@H](C)[NH2+]C)no1)[NH+](C)C ZINC000566914365 326093466 /nfs/dbraw/zinc/09/34/66/326093466.db2.gz MSLYOMAZTRHNGF-BDAKNGLRSA-N 2 1 226.324 1.233 20 0 BDADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000153791841 326113970 /nfs/dbraw/zinc/11/39/70/326113970.db2.gz RDTQGCYMXWITAD-AWEZNQCLSA-N 2 1 242.407 1.979 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000310475968 326193596 /nfs/dbraw/zinc/19/35/96/326193596.db2.gz BUPDBIPMOPJHKE-RQJABVFESA-N 2 1 242.407 1.665 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000310475968 326193598 /nfs/dbraw/zinc/19/35/98/326193598.db2.gz BUPDBIPMOPJHKE-RQJABVFESA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000310475968 326193601 /nfs/dbraw/zinc/19/36/01/326193601.db2.gz BUPDBIPMOPJHKE-RQJABVFESA-N 2 1 242.407 1.665 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000310475968 326193604 /nfs/dbraw/zinc/19/36/04/326193604.db2.gz BUPDBIPMOPJHKE-RQJABVFESA-N 2 1 242.407 1.665 20 0 BDADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000567654265 326239346 /nfs/dbraw/zinc/23/93/46/326239346.db2.gz KIMJIOJPESNIMG-OLZOCXBDSA-N 2 1 223.364 1.156 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000158915669 326346044 /nfs/dbraw/zinc/34/60/44/326346044.db2.gz BGXGHNSZHSOVAP-NWDGAFQWSA-N 2 1 214.353 1.471 20 0 BDADMP CC[NH2+]CCCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000569106207 326390386 /nfs/dbraw/zinc/39/03/86/326390386.db2.gz UBGHLSGHZNTPOS-YPMHNXCESA-N 2 1 225.380 1.058 20 0 BDADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000220429247 487983366 /nfs/dbraw/zinc/98/33/66/487983366.db2.gz WYPSHRWGNYEKFF-GFCCVEGCSA-N 2 1 249.358 1.522 20 0 BDADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000220429247 487983370 /nfs/dbraw/zinc/98/33/70/487983370.db2.gz WYPSHRWGNYEKFF-GFCCVEGCSA-N 2 1 249.358 1.522 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCOC1 ZINC000159309706 488015697 /nfs/dbraw/zinc/01/56/97/488015697.db2.gz ONURMIPVRWTSMF-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP COc1ccc(F)cc1[C@H](C)[NH2+]CCC[NH3+] ZINC000135285712 488024233 /nfs/dbraw/zinc/02/42/33/488024233.db2.gz VLCCAQKTANZLKV-VIFPVBQESA-N 2 1 226.295 1.834 20 0 BDADMP CCN(Cc1cnn(C)c1)Cc1c[nH+]c(C)n1C ZINC000667551847 488043029 /nfs/dbraw/zinc/04/30/29/488043029.db2.gz ZJDQUFJIAHKHQD-UHFFFAOYSA-N 2 1 247.346 1.484 20 0 BDADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cnc2n1CCC2 ZINC000667648925 488071784 /nfs/dbraw/zinc/07/17/84/488071784.db2.gz DSUROMRABKFQQH-NEPJUHHUSA-N 2 1 249.358 1.565 20 0 BDADMP Cc1ncc(CN2CC=C(C)CC2)n1C ZINC000667650180 488072244 /nfs/dbraw/zinc/07/22/44/488072244.db2.gz OLETWDKYNSXSEN-UHFFFAOYSA-N 2 1 205.305 1.881 20 0 BDADMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccn1 ZINC000257667359 488078190 /nfs/dbraw/zinc/07/81/90/488078190.db2.gz HPABBBCWQSDNPN-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccn1 ZINC000257667359 488078195 /nfs/dbraw/zinc/07/81/95/488078195.db2.gz HPABBBCWQSDNPN-AWEZNQCLSA-N 2 1 231.343 1.657 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403256603 488119265 /nfs/dbraw/zinc/11/92/65/488119265.db2.gz WIVICTCFFSCFKT-RQJABVFESA-N 2 1 222.376 1.964 20 0 BDADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086729965 487540401 /nfs/dbraw/zinc/54/04/01/487540401.db2.gz PKPODPRPTKMJEN-ZWNOBZJWSA-N 2 1 222.307 1.708 20 0 BDADMP C[N@@H+](CCOC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC000382751875 487550364 /nfs/dbraw/zinc/55/03/64/487550364.db2.gz HDNUJRCHSICWIH-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCOC1 ZINC000685577777 487555324 /nfs/dbraw/zinc/55/53/24/487555324.db2.gz HOFSCVSQVUCDKG-OLZOCXBDSA-N 2 1 249.358 1.556 20 0 BDADMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCOC1 ZINC000685577777 487555329 /nfs/dbraw/zinc/55/53/29/487555329.db2.gz HOFSCVSQVUCDKG-OLZOCXBDSA-N 2 1 249.358 1.556 20 0 BDADMP Cn1cncc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000657562274 488135074 /nfs/dbraw/zinc/13/50/74/488135074.db2.gz MCZMNQSWRRKIGS-LLVKDONJSA-N 2 1 236.363 1.383 20 0 BDADMP CC[N@@H+](C[C@H]1CCOC1)CC1CC[NH2+]CC1 ZINC000086701877 487533057 /nfs/dbraw/zinc/53/30/57/487533057.db2.gz IGXWMRDLULNTGC-CYBMUJFWSA-N 2 1 226.364 1.344 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000093210225 488139420 /nfs/dbraw/zinc/13/94/20/488139420.db2.gz BWMSSJYTMXYMHS-KGLIPLIRSA-N 3 1 239.407 1.722 20 0 BDADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000662236532 487470821 /nfs/dbraw/zinc/47/08/21/487470821.db2.gz ZRXIFRAHABKEQC-VXGBXAGGSA-N 2 1 212.337 1.225 20 0 BDADMP CCC[C@H](C)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000227717817 487483218 /nfs/dbraw/zinc/48/32/18/487483218.db2.gz NQOJJOWFZAHZOL-QJPTWQEYSA-N 2 1 214.353 1.471 20 0 BDADMP CCC[C@H](C)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000227717817 487483220 /nfs/dbraw/zinc/48/32/20/487483220.db2.gz NQOJJOWFZAHZOL-QJPTWQEYSA-N 2 1 214.353 1.471 20 0 BDADMP CC[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000381070526 487494650 /nfs/dbraw/zinc/49/46/50/487494650.db2.gz ODOVMOSXVAJKIG-CHWSQXEVSA-N 2 1 230.396 1.665 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000381070526 487494656 /nfs/dbraw/zinc/49/46/56/487494656.db2.gz ODOVMOSXVAJKIG-CHWSQXEVSA-N 2 1 230.396 1.665 20 0 BDADMP CC[C@@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381070526 487494665 /nfs/dbraw/zinc/49/46/65/487494665.db2.gz ODOVMOSXVAJKIG-CHWSQXEVSA-N 2 1 230.396 1.665 20 0 BDADMP C[N@@H+](CCC(C)(C)C1CC1)C[C@@H](O)C[NH3+] ZINC000405951006 487496568 /nfs/dbraw/zinc/49/65/68/487496568.db2.gz GCMUXZLXEMWQLD-NSHDSACASA-N 2 1 214.353 1.064 20 0 BDADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399710070 487496713 /nfs/dbraw/zinc/49/67/13/487496713.db2.gz YIHFSEHRVWDOMB-LOWDOPEQSA-N 2 1 228.380 1.275 20 0 BDADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399710070 487496720 /nfs/dbraw/zinc/49/67/20/487496720.db2.gz YIHFSEHRVWDOMB-LOWDOPEQSA-N 2 1 228.380 1.275 20 0 BDADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399710070 487496726 /nfs/dbraw/zinc/49/67/26/487496726.db2.gz YIHFSEHRVWDOMB-LOWDOPEQSA-N 2 1 228.380 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399710070 487496731 /nfs/dbraw/zinc/49/67/31/487496731.db2.gz YIHFSEHRVWDOMB-LOWDOPEQSA-N 2 1 228.380 1.275 20 0 BDADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399710070 487496738 /nfs/dbraw/zinc/49/67/38/487496738.db2.gz YIHFSEHRVWDOMB-LOWDOPEQSA-N 2 1 228.380 1.275 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000268850916 487502670 /nfs/dbraw/zinc/50/26/70/487502670.db2.gz YAVQHVJWVFWFMJ-VHSXEESVSA-N 2 1 211.309 1.205 20 0 BDADMP Cc1nocc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662267806 487509717 /nfs/dbraw/zinc/50/97/17/487509717.db2.gz YTQJAHXYBKQJPR-WCFLWFBJSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1[nH+]cc(CN2CCO[C@H](C3CCC3)C2)n1C ZINC000668238075 487521832 /nfs/dbraw/zinc/52/18/32/487521832.db2.gz GSWHTBRSTOLCEM-AWEZNQCLSA-N 2 1 249.358 1.729 20 0 BDADMP C[C@@H](O)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000666128661 487524830 /nfs/dbraw/zinc/52/48/30/487524830.db2.gz SXTZWCJYUFAAKD-FRRDWIJNSA-N 2 1 228.380 1.325 20 0 BDADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C ZINC000379894183 488154496 /nfs/dbraw/zinc/15/44/96/488154496.db2.gz BLHCZAIPLLPPFD-NWDGAFQWSA-N 2 1 214.353 1.172 20 0 BDADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C ZINC000379894183 488154498 /nfs/dbraw/zinc/15/44/98/488154498.db2.gz BLHCZAIPLLPPFD-NWDGAFQWSA-N 2 1 214.353 1.172 20 0 BDADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1cncn1C ZINC000314401036 487665430 /nfs/dbraw/zinc/66/54/30/487665430.db2.gz TWNBSKUCMBUXCO-VXGBXAGGSA-N 2 1 236.363 1.022 20 0 BDADMP CO[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000459512454 488133705 /nfs/dbraw/zinc/13/37/05/488133705.db2.gz NJOFBMHBYZQCAU-VXGBXAGGSA-N 2 1 237.347 1.366 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230745405 488150622 /nfs/dbraw/zinc/15/06/22/488150622.db2.gz YUFSOXGFYOSGNG-RYUDHWBXSA-N 2 1 236.363 1.022 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCn2nccc21 ZINC000657862555 488155801 /nfs/dbraw/zinc/15/58/01/488155801.db2.gz FHUITTAAXVYXPU-LBPRGKRZSA-N 2 1 245.330 1.513 20 0 BDADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678073009 488190766 /nfs/dbraw/zinc/19/07/66/488190766.db2.gz HSNQEFWAMVTGLZ-ZIAGYGMSSA-N 3 1 248.374 1.123 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CCO)C1 ZINC000678075738 488191264 /nfs/dbraw/zinc/19/12/64/488191264.db2.gz NYRUHSRJLSKCRM-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000678075738 488191268 /nfs/dbraw/zinc/19/12/68/488191268.db2.gz NYRUHSRJLSKCRM-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CCO)C1 ZINC000678075738 488191272 /nfs/dbraw/zinc/19/12/72/488191272.db2.gz NYRUHSRJLSKCRM-ZIAGYGMSSA-N 2 1 240.391 1.565 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)C1CC1 ZINC000678077151 488192037 /nfs/dbraw/zinc/19/20/37/488192037.db2.gz KAYFLPXHAHDHDW-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)C1CC1 ZINC000678077151 488192041 /nfs/dbraw/zinc/19/20/41/488192041.db2.gz KAYFLPXHAHDHDW-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)C1CC1 ZINC000678077151 488192044 /nfs/dbraw/zinc/19/20/44/488192044.db2.gz KAYFLPXHAHDHDW-LBPRGKRZSA-N 2 1 226.364 1.318 20 0 BDADMP CCOC1CC([N@@H+](C)Cc2cnc(C)n2C)C1 ZINC000668173624 488213760 /nfs/dbraw/zinc/21/37/60/488213760.db2.gz MYQLLWQCPMQEQD-UHFFFAOYSA-N 2 1 237.347 1.728 20 0 BDADMP CCOC1CC(N(C)Cc2cnc(C)n2C)C1 ZINC000668173624 488213762 /nfs/dbraw/zinc/21/37/62/488213762.db2.gz MYQLLWQCPMQEQD-UHFFFAOYSA-N 2 1 237.347 1.728 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)n1C ZINC000668189053 488217349 /nfs/dbraw/zinc/21/73/49/488217349.db2.gz XTBYBFLWLQXMCA-CQSZACIVSA-N 2 1 248.374 1.256 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)n1C ZINC000668189053 488217351 /nfs/dbraw/zinc/21/73/51/488217351.db2.gz XTBYBFLWLQXMCA-CQSZACIVSA-N 2 1 248.374 1.256 20 0 BDADMP COC[C@]1(C)CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668203783 488223628 /nfs/dbraw/zinc/22/36/28/488223628.db2.gz SSDMHPWNWMRKKX-CQSZACIVSA-N 2 1 249.358 1.688 20 0 BDADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000684372534 488302202 /nfs/dbraw/zinc/30/22/02/488302202.db2.gz QYFWMVAMCNIXIM-BFHYXJOUSA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000401893114 490134089 /nfs/dbraw/zinc/13/40/89/490134089.db2.gz YYTTZYMDOGDOJG-AAEUAGOBSA-N 2 1 237.347 1.510 20 0 BDADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000517731010 490144551 /nfs/dbraw/zinc/14/45/51/490144551.db2.gz ZXDUTONVOWBXME-UONOGXRCSA-N 2 1 234.343 1.973 20 0 BDADMP C[C@H]1C[C@H](NCC(C)(C)[NH+](C)C)CC[N@H+]1C ZINC000129581443 490153536 /nfs/dbraw/zinc/15/35/36/490153536.db2.gz OHFDPZZSPDUQRH-NWDGAFQWSA-N 2 1 227.396 1.399 20 0 BDADMP c1cc(C[N@H+]2CCCOCC2)c2c(c1)C[NH2+]CC2 ZINC000123966292 490270843 /nfs/dbraw/zinc/27/08/43/490270843.db2.gz WCTYEFCUJQVJOX-UHFFFAOYSA-N 2 1 246.354 1.555 20 0 BDADMP CN(C)c1cccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000647990380 490359368 /nfs/dbraw/zinc/35/93/68/490359368.db2.gz UYKIQHPYLFMDHH-CQSZACIVSA-N 2 1 247.386 1.794 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)[C@H](C)C1 ZINC000305112949 490437532 /nfs/dbraw/zinc/43/75/32/490437532.db2.gz GQYLQMJBXMFWBQ-CHWSQXEVSA-N 2 1 240.391 1.611 20 0 BDADMP Cn1cncc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000401633304 490582393 /nfs/dbraw/zinc/58/23/93/490582393.db2.gz BEWQCXFPXYADHA-CHWSQXEVSA-N 2 1 248.374 1.179 20 0 BDADMP Cc1ccc(F)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000129186101 490604360 /nfs/dbraw/zinc/60/43/60/490604360.db2.gz NDZGCARLSMXICW-CHWSQXEVSA-N 2 1 234.318 1.785 20 0 BDADMP CCSCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598681766 491084292 /nfs/dbraw/zinc/08/42/92/491084292.db2.gz JKUNRRRFXDDYGQ-MNOVXSKESA-N 2 1 214.378 1.553 20 0 BDADMP CCSCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598681766 491084293 /nfs/dbraw/zinc/08/42/93/491084293.db2.gz JKUNRRRFXDDYGQ-MNOVXSKESA-N 2 1 214.378 1.553 20 0 BDADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322371 491124443 /nfs/dbraw/zinc/12/44/43/491124443.db2.gz WEHLWPKLUSTSML-HZSPNIEDSA-N 2 1 237.391 1.012 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309864585 491157681 /nfs/dbraw/zinc/15/76/81/491157681.db2.gz NYAWYFZFCLBZAK-OLZOCXBDSA-N 2 1 219.332 1.970 20 0 BDADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000310335519 491161094 /nfs/dbraw/zinc/16/10/94/491161094.db2.gz MRGSISYEFFRETH-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400755634 533839783 /nfs/dbraw/zinc/83/97/83/533839783.db2.gz WXGZIFXUWUKTMK-IUCAKERBSA-N 2 1 206.280 1.762 20 0 BDADMP C[C@H]([NH2+]CCc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000400357594 533875515 /nfs/dbraw/zinc/87/55/15/533875515.db2.gz BADKOLDYHUODMK-JQWIXIFHSA-N 2 1 208.305 1.552 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@@H]1C ZINC000495049317 533942486 /nfs/dbraw/zinc/94/24/86/533942486.db2.gz KUAFBGLAFJWTRA-UPJWGTAASA-N 2 1 240.391 1.731 20 0 BDADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000400358526 533988666 /nfs/dbraw/zinc/98/86/66/533988666.db2.gz BFVOKIRQKHPTGC-DGAVXFQQSA-N 2 1 237.391 1.343 20 0 BDADMP CCCn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261541573 535609633 /nfs/dbraw/zinc/60/96/33/535609633.db2.gz BJDRTFSIDIVULB-ZDUSSCGKSA-N 2 1 236.363 1.464 20 0 BDADMP CCCn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261541573 535609635 /nfs/dbraw/zinc/60/96/35/535609635.db2.gz BJDRTFSIDIVULB-ZDUSSCGKSA-N 2 1 236.363 1.464 20 0 BDADMP CCc1nc(N2CC[C@H]([C@@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000261545961 536125647 /nfs/dbraw/zinc/12/56/47/536125647.db2.gz GMEUVZFPLXNAFV-MNOVXSKESA-N 2 1 234.347 1.521 20 0 BDADMP CN1CC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803613 536463717 /nfs/dbraw/zinc/46/37/17/536463717.db2.gz HDHQBPMCOYMPGA-ZIAGYGMSSA-N 2 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803613 536463718 /nfs/dbraw/zinc/46/37/18/536463718.db2.gz HDHQBPMCOYMPGA-ZIAGYGMSSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803613 536463721 /nfs/dbraw/zinc/46/37/21/536463721.db2.gz HDHQBPMCOYMPGA-ZIAGYGMSSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803613 536463724 /nfs/dbraw/zinc/46/37/24/536463724.db2.gz HDHQBPMCOYMPGA-ZIAGYGMSSA-N 3 1 237.391 1.012 20 0 BDADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC000261803613 536463726 /nfs/dbraw/zinc/46/37/26/536463726.db2.gz HDHQBPMCOYMPGA-ZIAGYGMSSA-N 3 1 237.391 1.012 20 0 BDADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000335888549 536481604 /nfs/dbraw/zinc/48/16/04/536481604.db2.gz ODUNUXPHZAGWJY-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000335888549 536481607 /nfs/dbraw/zinc/48/16/07/536481607.db2.gz ODUNUXPHZAGWJY-AWEZNQCLSA-N 2 1 240.391 1.611 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCCOC1 ZINC000308616605 527080071 /nfs/dbraw/zinc/08/00/71/527080071.db2.gz YQVVCIBJWYOSEK-CYBMUJFWSA-N 2 1 240.391 1.877 20 0 BDADMP COC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178972766 536524500 /nfs/dbraw/zinc/52/45/00/536524500.db2.gz MGNHTAIIFIKDKM-ZDUSSCGKSA-N 2 1 226.364 1.344 20 0 BDADMP CCOCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308638822 528690457 /nfs/dbraw/zinc/69/04/57/528690457.db2.gz XSRMRMPLIDGNOA-UHFFFAOYSA-N 2 1 228.380 1.877 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400337201 528829352 /nfs/dbraw/zinc/82/93/52/528829352.db2.gz GLBKPGAOWRIHRY-AGIUHOORSA-N 2 1 227.396 1.445 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000471760317 528965840 /nfs/dbraw/zinc/96/58/40/528965840.db2.gz QEZMAZHENFBZQS-STQMWFEESA-N 2 1 242.407 2.000 20 0 BDADMP CC[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494158924 529085428 /nfs/dbraw/zinc/08/54/28/529085428.db2.gz ARWFFTIULBWORB-CYBMUJFWSA-N 2 1 242.407 1.981 20 0 BDADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccn1C ZINC000164196564 535004448 /nfs/dbraw/zinc/00/44/48/535004448.db2.gz YFAQVXZASVFOEO-UHFFFAOYSA-N 2 1 223.364 1.845 20 0 BDADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccn1C ZINC000164196564 535004453 /nfs/dbraw/zinc/00/44/53/535004453.db2.gz YFAQVXZASVFOEO-UHFFFAOYSA-N 2 1 223.364 1.845 20 0 BDADMP CCC(CC)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252552987 535078895 /nfs/dbraw/zinc/07/88/95/535078895.db2.gz QSSIMDCYRRHLBK-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP CCC(CC)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252552987 535078900 /nfs/dbraw/zinc/07/89/00/535078900.db2.gz QSSIMDCYRRHLBK-STQMWFEESA-N 2 1 226.364 1.628 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261581747 535177543 /nfs/dbraw/zinc/17/75/43/535177543.db2.gz NWCJIWQYEZSGSL-STQMWFEESA-N 2 1 226.364 1.200 20 0 BDADMP CC(C)[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000261716673 535238149 /nfs/dbraw/zinc/23/81/49/535238149.db2.gz FFDPNGIOEKEVCC-ZIAGYGMSSA-N 2 1 239.407 1.258 20 0 BDADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223286337 535242767 /nfs/dbraw/zinc/24/27/67/535242767.db2.gz GKFPBMYVXCOIRY-HZSPNIEDSA-N 2 1 242.407 1.713 20 0 BDADMP CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000250647242 535516778 /nfs/dbraw/zinc/51/67/78/535516778.db2.gz OGCXBMZPWNQLFE-OLZOCXBDSA-N 2 1 228.380 1.733 20 0 BDADMP CCSCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261527425 535685084 /nfs/dbraw/zinc/68/50/84/535685084.db2.gz BALVWQWTFLTEGA-HBNTYKKESA-N 2 1 214.378 1.409 20 0 BDADMP CCS[C@H]1CC[C@H]([N@H+](C)CC[NH3+])C1 ZINC000261529167 535728979 /nfs/dbraw/zinc/72/89/79/535728979.db2.gz PSHNKWQFAPHVEU-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP CCS[C@H]1CC[C@H]([N@@H+](C)CC[NH3+])C1 ZINC000261529167 535728983 /nfs/dbraw/zinc/72/89/83/535728983.db2.gz PSHNKWQFAPHVEU-UWVGGRQHSA-N 2 1 202.367 1.551 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000084385119 535850943 /nfs/dbraw/zinc/85/09/43/535850943.db2.gz LKIVFLXEFCMGGZ-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261542840 535853763 /nfs/dbraw/zinc/85/37/63/535853763.db2.gz QQAGEOOBHRBZGQ-AAVRWANBSA-N 2 1 240.391 1.874 20 0 BDADMP CC[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183871884 535977151 /nfs/dbraw/zinc/97/71/51/535977151.db2.gz CTQWRCHOOQOOKN-WVMKXHBISA-N 2 1 226.364 1.362 20 0 BDADMP CC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000251076540 536092013 /nfs/dbraw/zinc/09/20/13/536092013.db2.gz KRIBUFXQKPPORH-XJFOESAGSA-N 2 1 242.407 1.713 20 0 BDADMP CCc1nc(N2C[C@H](C[NH3+])C[C@@H]2C)cc(C)[nH+]1 ZINC000261560137 536126714 /nfs/dbraw/zinc/12/67/14/536126714.db2.gz UFOFGMXVHDDOKP-QWRGUYRKSA-N 2 1 234.347 1.521 20 0 BDADMP C[N@@H+](CCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000227743084 536342911 /nfs/dbraw/zinc/34/29/11/536342911.db2.gz FMCFCZVZORQVAU-CYBMUJFWSA-N 2 1 204.317 1.955 20 0 BDADMP C[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000084215958 536344718 /nfs/dbraw/zinc/34/47/18/536344718.db2.gz IAONFDYUWWRLCP-DGCLKSJQSA-N 3 1 225.380 1.188 20 0 BDADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H](F)C2)CC1 ZINC000335372752 536345291 /nfs/dbraw/zinc/34/52/91/536345291.db2.gz PAFKTPAUGGAYFL-JQWIXIFHSA-N 2 1 214.328 1.951 20 0 BDADMP C[NH2+][C@@H](C)Cc1noc([C@H](C(C)C)[NH+](C)C)n1 ZINC000261871487 536350277 /nfs/dbraw/zinc/35/02/77/536350277.db2.gz VGNJDCWJWHWQPA-ONGXEEELSA-N 2 1 240.351 1.479 20 0 BDADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CO)C1 ZINC000225974708 536357220 /nfs/dbraw/zinc/35/72/20/536357220.db2.gz AFBUHSODFOFKFZ-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](CO)C1 ZINC000225974708 536357223 /nfs/dbraw/zinc/35/72/23/536357223.db2.gz AFBUHSODFOFKFZ-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](CO)C1 ZINC000225974708 536357226 /nfs/dbraw/zinc/35/72/26/536357226.db2.gz AFBUHSODFOFKFZ-OLZOCXBDSA-N 2 1 226.364 1.175 20 0 BDADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](O)CC1 ZINC000335888803 536389678 /nfs/dbraw/zinc/38/96/78/536389678.db2.gz XVRYKUDFYAFNHO-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](O)CC1 ZINC000335888803 536389681 /nfs/dbraw/zinc/38/96/81/536389681.db2.gz XVRYKUDFYAFNHO-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](O)CC1 ZINC000335888803 536389683 /nfs/dbraw/zinc/38/96/83/536389683.db2.gz XVRYKUDFYAFNHO-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP C[N@@H+](CCOCC1CC1)CC1CC[NH2+]CC1 ZINC000087399731 536393825 /nfs/dbraw/zinc/39/38/25/536393825.db2.gz JZYFNPQPCVMWSX-UHFFFAOYSA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000347713944 536707717 /nfs/dbraw/zinc/70/77/17/536707717.db2.gz XTWSANDGDOFEKC-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000347713944 536707723 /nfs/dbraw/zinc/70/77/23/536707723.db2.gz XTWSANDGDOFEKC-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000347713944 536707728 /nfs/dbraw/zinc/70/77/28/536707728.db2.gz XTWSANDGDOFEKC-KGLIPLIRSA-N 2 1 240.391 1.972 20 0 BDADMP CO[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261534199 536729926 /nfs/dbraw/zinc/72/99/26/536729926.db2.gz ORDVUJSXEXLFQQ-FRRDWIJNSA-N 2 1 226.364 1.343 20 0 BDADMP COC1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000252817549 536739564 /nfs/dbraw/zinc/73/95/64/536739564.db2.gz YIJYBQHOMCOFGD-BLYZHGLHSA-N 2 1 240.391 1.874 20 0 BDADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000252817549 536739569 /nfs/dbraw/zinc/73/95/69/536739569.db2.gz YIJYBQHOMCOFGD-BLYZHGLHSA-N 2 1 240.391 1.874 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248841429 536877666 /nfs/dbraw/zinc/87/76/66/536877666.db2.gz NZQAICPEASKCPZ-RNJOBUHISA-N 2 1 226.364 1.626 20 0 BDADMP CN(C)c1ccnc(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000853232167 588728117 /nfs/dbraw/zinc/72/81/17/588728117.db2.gz UOSDYDNGUISQDX-SNVBAGLBSA-N 2 1 247.346 1.191 20 0 BDADMP Cc1cc[nH+]c(N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000127020576 582486575 /nfs/dbraw/zinc/48/65/75/582486575.db2.gz COSIZUSZUNQQEW-QWRGUYRKSA-N 2 1 205.305 1.564 20 0 BDADMP Cc1cc(N)nc(N[C@H](C)C[NH+]2CCCCC2)[nH+]1 ZINC000891792273 582722080 /nfs/dbraw/zinc/72/20/80/582722080.db2.gz DXRWCHNMGFCSSD-LLVKDONJSA-N 2 1 249.362 1.654 20 0 BDADMP C[C@H]1COCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892077249 582785754 /nfs/dbraw/zinc/78/57/54/582785754.db2.gz PLBOJVGDIQUSMU-GFCCVEGCSA-N 2 1 226.364 1.297 20 0 BDADMP C[C@@H](CC[NH+](C)C)Nc1nccn2c[nH+]cc12 ZINC000892085542 582787899 /nfs/dbraw/zinc/78/78/99/582787899.db2.gz OGVJCGTYWDFWGZ-JTQLQIEISA-N 2 1 233.319 1.481 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000849006314 582822466 /nfs/dbraw/zinc/82/24/66/582822466.db2.gz VUEZPHSPJRFEGW-NSHDSACASA-N 2 1 240.395 1.773 20 0 BDADMP CC[C@H](C)[N@H+](C)CCNc1nc(N)cc(C)[nH+]1 ZINC000892282722 582826505 /nfs/dbraw/zinc/82/65/05/582826505.db2.gz BWHDMCQUKUVQGX-JTQLQIEISA-N 2 1 237.351 1.509 20 0 BDADMP CC[C@H](C)[N@@H+](C)CCNc1nc(N)cc(C)[nH+]1 ZINC000892282722 582826506 /nfs/dbraw/zinc/82/65/06/582826506.db2.gz BWHDMCQUKUVQGX-JTQLQIEISA-N 2 1 237.351 1.509 20 0 BDADMP C[NH+](C)C1(CNC(=[NH2+])N2CCCCC2)CC1 ZINC000849043226 582839650 /nfs/dbraw/zinc/83/96/50/582839650.db2.gz JCNVMQAKQRKQGC-UHFFFAOYSA-N 2 1 224.352 1.091 20 0 BDADMP Cn1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000123782401 582851508 /nfs/dbraw/zinc/85/15/08/582851508.db2.gz KLCZLFKQLULGSC-UHFFFAOYSA-N 2 1 222.336 1.122 20 0 BDADMP CCCC[N@H+](C)CCNc1nc(N)cc(C)[nH+]1 ZINC000892491499 582897882 /nfs/dbraw/zinc/89/78/82/582897882.db2.gz AYGHDWMIOYEILA-UHFFFAOYSA-N 2 1 237.351 1.511 20 0 BDADMP CCCC[N@@H+](C)CCNc1nc(N)cc(C)[nH+]1 ZINC000892491499 582897885 /nfs/dbraw/zinc/89/78/85/582897885.db2.gz AYGHDWMIOYEILA-UHFFFAOYSA-N 2 1 237.351 1.511 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000851985997 582989974 /nfs/dbraw/zinc/98/99/74/582989974.db2.gz YHEGXZMGQVULRG-HZSPNIEDSA-N 2 1 240.391 1.970 20 0 BDADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2CO)C[N@H+]1C1CC1 ZINC000892875630 583001812 /nfs/dbraw/zinc/00/18/12/583001812.db2.gz HEOIOACYRPJDHV-PWSUYJOCSA-N 2 1 247.342 1.033 20 0 BDADMP CCn1cc(CC[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000857083672 588886500 /nfs/dbraw/zinc/88/65/00/588886500.db2.gz GXEAITHUBFFTNG-GFCCVEGCSA-N 2 1 236.363 1.116 20 0 BDADMP CC[C@@]1(C)COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893668084 583192279 /nfs/dbraw/zinc/19/22/79/583192279.db2.gz CQLGPJIOCWSTQZ-AWEZNQCLSA-N 2 1 240.391 1.829 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857087562 588886758 /nfs/dbraw/zinc/88/67/58/588886758.db2.gz UKRQEVATEPUGQP-ZIAGYGMSSA-N 3 1 239.407 1.709 20 0 BDADMP [NH3+]CCCCCCCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857087562 588886759 /nfs/dbraw/zinc/88/67/59/588886759.db2.gz UKRQEVATEPUGQP-ZIAGYGMSSA-N 2 1 239.407 1.709 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000857087562 588886760 /nfs/dbraw/zinc/88/67/60/588886760.db2.gz UKRQEVATEPUGQP-ZIAGYGMSSA-N 2 1 239.407 1.709 20 0 BDADMP N[C@@]12CCC[C@@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000857087562 588886761 /nfs/dbraw/zinc/88/67/61/588886761.db2.gz UKRQEVATEPUGQP-ZIAGYGMSSA-N 2 1 239.407 1.709 20 0 BDADMP CC(C)[N@H+](C)C[C@@H](C)Nc1nccn2cncc12 ZINC000893914379 583246281 /nfs/dbraw/zinc/24/62/81/583246281.db2.gz NVHOVYKONRXSLW-LLVKDONJSA-N 2 1 247.346 1.870 20 0 BDADMP Cc1noc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000893972953 583264683 /nfs/dbraw/zinc/26/46/83/583264683.db2.gz MIQHDIGFRNOSID-SECBINFHSA-N 2 1 238.335 1.370 20 0 BDADMP CNc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000894428378 583457112 /nfs/dbraw/zinc/45/71/12/583457112.db2.gz UYAFLKIGRCJETP-AOOOYVTPSA-N 2 1 235.335 1.270 20 0 BDADMP CNc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]cn1 ZINC000894428378 583457113 /nfs/dbraw/zinc/45/71/13/583457113.db2.gz UYAFLKIGRCJETP-AOOOYVTPSA-N 2 1 235.335 1.270 20 0 BDADMP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000894454884 583464399 /nfs/dbraw/zinc/46/43/99/583464399.db2.gz BJCARHCSKMQFHI-YPMHNXCESA-N 2 1 242.363 1.258 20 0 BDADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc[nH]c(=O)c1 ZINC000894472254 583469423 /nfs/dbraw/zinc/46/94/23/583469423.db2.gz RCWAIMGPKGKYEI-UHFFFAOYSA-N 2 1 237.347 1.561 20 0 BDADMP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857852952 588913615 /nfs/dbraw/zinc/91/36/15/588913615.db2.gz HLJUYWIVZRTOMJ-CYBMUJFWSA-N 2 1 248.374 1.719 20 0 BDADMP CC(=O)OC[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000895136850 583602263 /nfs/dbraw/zinc/60/22/63/583602263.db2.gz LKRBKEFAKWUUBN-LBPRGKRZSA-N 2 1 244.379 1.506 20 0 BDADMP CC1=NO[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000895302967 583644939 /nfs/dbraw/zinc/64/49/39/583644939.db2.gz XZGMUNKUIHBKGN-NEPJUHHUSA-N 2 1 239.363 1.614 20 0 BDADMP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000895302967 583644942 /nfs/dbraw/zinc/64/49/42/583644942.db2.gz XZGMUNKUIHBKGN-NEPJUHHUSA-N 2 1 239.363 1.614 20 0 BDADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cnc1F ZINC000895429393 583669027 /nfs/dbraw/zinc/66/90/27/583669027.db2.gz MIIZURVLAWYZIH-LLVKDONJSA-N 2 1 239.338 1.959 20 0 BDADMP Cc1nc(C)c(C)c(N[C@@H]2CC[N@@H+](C)[C@H]2C)n1 ZINC000895741036 583714296 /nfs/dbraw/zinc/71/42/96/583714296.db2.gz XEBSLTQNQUJWLL-CMPLNLGQSA-N 2 1 234.347 1.906 20 0 BDADMP C[C@H]1[C@@H](Nc2cc[nH+]cc2C2CC2)CC[N@H+]1C ZINC000895733910 583717000 /nfs/dbraw/zinc/71/70/00/583717000.db2.gz HOKXQDPLLKCNHG-GWCFXTLKSA-N 2 1 231.343 1.885 20 0 BDADMP C[C@@H]1[C@@H](Nc2cc(N(C)C)ncn2)CC[N@H+]1C ZINC000895736014 583718427 /nfs/dbraw/zinc/71/84/27/583718427.db2.gz YWAFZKHSOMQCHK-ZJUUUORDSA-N 2 1 235.335 1.047 20 0 BDADMP C[N@H+]1CC[C@@H]1CNc1cc(NC2CC2)ncn1 ZINC000895769022 583724175 /nfs/dbraw/zinc/72/41/75/583724175.db2.gz LLQLTBSEEATMDD-SNVBAGLBSA-N 2 1 233.319 1.167 20 0 BDADMP CN1CC[C@@H]1CNc1cc(NC2CC2)ncn1 ZINC000895769022 583724177 /nfs/dbraw/zinc/72/41/77/583724177.db2.gz LLQLTBSEEATMDD-SNVBAGLBSA-N 2 1 233.319 1.167 20 0 BDADMP CCO[C@H](CNc1cccc(C)[nH+]1)C[NH+](C)C ZINC000896118233 583772211 /nfs/dbraw/zinc/77/22/11/583772211.db2.gz XUUGWMBVWKGRAE-GFCCVEGCSA-N 2 1 237.347 1.769 20 0 BDADMP C[NH+]1CCC(C[N@H+]2CCn3cccc3C2)CC1 ZINC000896764484 583831253 /nfs/dbraw/zinc/83/12/53/583831253.db2.gz ZFCLTJWAMDCALC-UHFFFAOYSA-N 2 1 233.359 1.646 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+](C)C ZINC000896879171 583844792 /nfs/dbraw/zinc/84/47/92/583844792.db2.gz ZKLMISJKXXKWAQ-YIYPIFLZSA-N 2 1 240.391 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H]1SC)C[NH+](C)C ZINC000896880099 583844832 /nfs/dbraw/zinc/84/48/32/583844832.db2.gz NJMCCMNNCMNRJL-IJLUTSLNSA-N 2 1 246.420 1.437 20 0 BDADMP CCO[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000897061317 583875354 /nfs/dbraw/zinc/87/53/54/583875354.db2.gz IBUFRBOIBFDRIQ-ZDUSSCGKSA-N 2 1 226.364 1.439 20 0 BDADMP C[C@@H]1CCC[N@@H+](CCNc2cc[nH+]c(CO)c2)C1 ZINC000858349619 588948166 /nfs/dbraw/zinc/94/81/66/588948166.db2.gz MKDFBWCTLIDLFV-GFCCVEGCSA-N 2 1 249.358 1.718 20 0 BDADMP OCc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000858355831 588948206 /nfs/dbraw/zinc/94/82/06/588948206.db2.gz WNGXHJPZPGOEGY-JSGCOSHPSA-N 2 1 247.342 1.613 20 0 BDADMP OCc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000858355830 588948210 /nfs/dbraw/zinc/94/82/10/588948210.db2.gz WNGXHJPZPGOEGY-GXTWGEPZSA-N 2 1 247.342 1.613 20 0 BDADMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858367387 588948893 /nfs/dbraw/zinc/94/88/93/588948893.db2.gz NTOVRMRFYZEOES-LBPRGKRZSA-N 2 1 249.358 1.716 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CC2)[C@H](C)C1 ZINC000898202877 584089606 /nfs/dbraw/zinc/08/96/06/584089606.db2.gz DXZDVCZEMIXIGW-KWCYVHTRSA-N 2 1 240.391 1.467 20 0 BDADMP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c(CO)c2)C[C@H]1C ZINC000858462959 588957572 /nfs/dbraw/zinc/95/75/72/588957572.db2.gz ZHMSPMOFEILBCM-VXGBXAGGSA-N 2 1 249.358 1.493 20 0 BDADMP CC[NH+]1CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC000898381477 584113836 /nfs/dbraw/zinc/11/38/36/584113836.db2.gz HHTKYFWCEHNJDS-KBPBESRZSA-N 2 1 238.375 1.485 20 0 BDADMP COCCC1(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000841064215 584126961 /nfs/dbraw/zinc/12/69/61/584126961.db2.gz VSXPVSBJFWLATM-QWHCGFSZSA-N 2 1 240.391 1.923 20 0 BDADMP COCCC1(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000841064216 584127087 /nfs/dbraw/zinc/12/70/87/584127087.db2.gz VSXPVSBJFWLATM-STQMWFEESA-N 2 1 240.391 1.923 20 0 BDADMP C([N@@H+]1CC[C@H]2CSC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000873222087 584127267 /nfs/dbraw/zinc/12/72/67/584127267.db2.gz YYCRTFLWHYQTOZ-ZFQMDJOTSA-N 2 1 238.400 1.423 20 0 BDADMP C([N@H+]1CC[C@H]2CSC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000873222087 584127270 /nfs/dbraw/zinc/12/72/70/584127270.db2.gz YYCRTFLWHYQTOZ-ZFQMDJOTSA-N 2 1 238.400 1.423 20 0 BDADMP CC(C)(O)C[NH+]1CCC([NH2+]C/C=C\Cl)CC1 ZINC000898427748 584132726 /nfs/dbraw/zinc/13/27/26/584132726.db2.gz FHPWRKZAPNQJED-UTCJRWHESA-N 2 1 246.782 1.564 20 0 BDADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902316176 584555588 /nfs/dbraw/zinc/55/55/88/584555588.db2.gz FGLZAIZUCLTQHC-RYUDHWBXSA-N 2 1 227.396 1.304 20 0 BDADMP C[C@@H](Cc1ccccc1F)[NH2+]CC1([NH3+])CC1 ZINC000902406059 584573886 /nfs/dbraw/zinc/57/38/86/584573886.db2.gz KKNAQPQLGQXHFM-JTQLQIEISA-N 2 1 222.307 1.838 20 0 BDADMP Cc1cccc2c1C[C@@H]([NH2+][C@H](C)C1([NH3+])CC1)CO2 ZINC000902400119 584586750 /nfs/dbraw/zinc/58/67/50/584586750.db2.gz YRZWTLRPVDHSDN-VXGBXAGGSA-N 2 1 246.354 1.768 20 0 BDADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902431213 584595685 /nfs/dbraw/zinc/59/56/85/584595685.db2.gz SIXFQGOCRQURIU-XUXIUFHCSA-N 2 1 240.391 1.515 20 0 BDADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902413119 584599649 /nfs/dbraw/zinc/59/96/49/584599649.db2.gz IVENMBHSDOBDCE-JTQLQIEISA-N 2 1 247.342 1.787 20 0 BDADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000902475968 584602756 /nfs/dbraw/zinc/60/27/56/584602756.db2.gz KQBDHXUECULBAZ-KZZRWZIVSA-N 2 1 210.321 1.036 20 0 BDADMP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000902450392 584606309 /nfs/dbraw/zinc/60/63/09/584606309.db2.gz RWTPPJJKMYPJLA-AGIUHOORSA-N 2 1 237.391 1.201 20 0 BDADMP Cn1cnc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000902460304 584611407 /nfs/dbraw/zinc/61/14/07/584611407.db2.gz GOTZEMSRVPKDNC-PWSUYJOCSA-N 2 1 222.336 1.027 20 0 BDADMP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCCO1 ZINC000902464153 584612450 /nfs/dbraw/zinc/61/24/50/584612450.db2.gz CKMBSZPCKCFBOB-ROHXPCBUSA-N 2 1 210.321 1.036 20 0 BDADMP COC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCCC1 ZINC000902467780 584615063 /nfs/dbraw/zinc/61/50/63/584615063.db2.gz KYLLOXHYJFFDQL-DGAVXFQQSA-N 2 1 238.375 1.674 20 0 BDADMP CCn1cnc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000902470264 584616356 /nfs/dbraw/zinc/61/63/56/584616356.db2.gz VRWWZKKTMGNPRS-UHFFFAOYSA-N 2 1 234.347 1.255 20 0 BDADMP CCn1cnc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000902470264 584616358 /nfs/dbraw/zinc/61/63/58/584616358.db2.gz VRWWZKKTMGNPRS-UHFFFAOYSA-N 2 1 234.347 1.255 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902520987 584631634 /nfs/dbraw/zinc/63/16/34/584631634.db2.gz QKOCORGQNJNVGS-AAVRWANBSA-N 2 1 232.327 1.114 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000903255041 584739707 /nfs/dbraw/zinc/73/97/07/584739707.db2.gz VMIQYMINPHQTOH-FOUMNBMASA-N 2 1 208.349 1.715 20 0 BDADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903440738 584763375 /nfs/dbraw/zinc/76/33/75/584763375.db2.gz AYOJHNHWWRAVMC-HZSPNIEDSA-N 2 1 240.391 1.861 20 0 BDADMP C[NH2+]CC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC000903422400 584764468 /nfs/dbraw/zinc/76/44/68/584764468.db2.gz BKORRUWXACGEHM-LLVKDONJSA-N 2 1 234.347 1.469 20 0 BDADMP CCC(CC)(C[NH2+]C[C@H]1CCC[NH2+]1)C(=O)OC ZINC000903459523 584765724 /nfs/dbraw/zinc/76/57/24/584765724.db2.gz VALSJDYFYALGJE-LLVKDONJSA-N 2 1 242.363 1.307 20 0 BDADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903459348 584766047 /nfs/dbraw/zinc/76/60/47/584766047.db2.gz TUDJIGGDEGNWAI-RDBSUJKOSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H](c1ncccn1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000903447579 584770903 /nfs/dbraw/zinc/77/09/03/584770903.db2.gz YOCDBNQZNSXVRF-MROQNXINSA-N 2 1 246.358 1.597 20 0 BDADMP C[C@H](c1ncccn1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000903447579 584770904 /nfs/dbraw/zinc/77/09/04/584770904.db2.gz YOCDBNQZNSXVRF-MROQNXINSA-N 2 1 246.358 1.597 20 0 BDADMP C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)OC1CC1 ZINC000903453990 584772584 /nfs/dbraw/zinc/77/25/84/584772584.db2.gz QTEUSEYRRLFQQM-QWHCGFSZSA-N 2 1 238.375 1.487 20 0 BDADMP COC[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)C(C)C ZINC000903455114 584773357 /nfs/dbraw/zinc/77/33/57/584773357.db2.gz QEZRGBVPZPBAMN-NEPJUHHUSA-N 2 1 230.396 1.868 20 0 BDADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000903454731 584773590 /nfs/dbraw/zinc/77/35/90/584773590.db2.gz IPEZMYYIJORHQG-XBFCOCLRSA-N 3 1 239.407 1.611 20 0 BDADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOC1CC1 ZINC000903455313 584773855 /nfs/dbraw/zinc/77/38/55/584773855.db2.gz UBAILKBDAOPRHT-CKYFFXLPSA-N 2 1 212.337 1.142 20 0 BDADMP Cc1cnn(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903472569 584776056 /nfs/dbraw/zinc/77/60/56/584776056.db2.gz SGOJHGVEWYRLIM-LBPRGKRZSA-N 2 1 234.347 1.066 20 0 BDADMP CC1(C)CO[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903472926 584776176 /nfs/dbraw/zinc/77/61/76/584776176.db2.gz XDRWXAOOBQSXDP-NWDGAFQWSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@H](c1ncccn1)[N@@H+](C)CCCCCC[NH3+] ZINC000903482416 584778766 /nfs/dbraw/zinc/77/87/66/584778766.db2.gz GSUXFDAPPDJLLL-GFCCVEGCSA-N 2 1 236.363 1.989 20 0 BDADMP FCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483706 584779318 /nfs/dbraw/zinc/77/93/18/584779318.db2.gz KLYOKCDFRFIUCW-JTQLQIEISA-N 2 1 200.301 1.610 20 0 BDADMP Cc1noc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496558 584780819 /nfs/dbraw/zinc/78/08/19/584780819.db2.gz SHHIZBUFTSURMM-FXPVBKGRSA-N 2 1 238.335 1.356 20 0 BDADMP C[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727158 584793036 /nfs/dbraw/zinc/79/30/36/584793036.db2.gz RFSTZJPPBFGKEH-STQMWFEESA-N 2 1 238.375 1.487 20 0 BDADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnn(CCF)c2)C1 ZINC000903746099 584793977 /nfs/dbraw/zinc/79/39/77/584793977.db2.gz FIROSYXUBULSNX-GFCCVEGCSA-N 2 1 240.326 1.023 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903746099 584793978 /nfs/dbraw/zinc/79/39/78/584793978.db2.gz FIROSYXUBULSNX-GFCCVEGCSA-N 2 1 240.326 1.023 20 0 BDADMP C[C@]12COC[C@@H]1C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903767427 584798241 /nfs/dbraw/zinc/79/82/41/584798241.db2.gz XIQVRSRCDKXPQQ-RDBSUJKOSA-N 2 1 238.375 1.344 20 0 BDADMP CCOCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903796002 584800806 /nfs/dbraw/zinc/80/08/06/584800806.db2.gz QUGCTBPSLMRKPJ-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP CCOCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903796002 584800807 /nfs/dbraw/zinc/80/08/07/584800807.db2.gz QUGCTBPSLMRKPJ-NEPJUHHUSA-N 2 1 212.337 1.226 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903855583 584808827 /nfs/dbraw/zinc/80/88/27/584808827.db2.gz NOOUTOZYILMYCK-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855583 584808829 /nfs/dbraw/zinc/80/88/29/584808829.db2.gz NOOUTOZYILMYCK-STQMWFEESA-N 2 1 226.364 1.615 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCCCCO ZINC000903857448 584810199 /nfs/dbraw/zinc/81/01/99/584810199.db2.gz VHJLBKXALSRGQB-STQMWFEESA-N 2 1 226.364 1.352 20 0 BDADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCCCCO ZINC000903857448 584810200 /nfs/dbraw/zinc/81/02/00/584810200.db2.gz VHJLBKXALSRGQB-STQMWFEESA-N 2 1 226.364 1.352 20 0 BDADMP C=C/C=C\CC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857862 584810215 /nfs/dbraw/zinc/81/02/15/584810215.db2.gz GCUIXSRGRFDSNN-RSNNXLNZSA-N 2 1 206.333 1.932 20 0 BDADMP C=C/C=C\CC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857862 584810216 /nfs/dbraw/zinc/81/02/16/584810216.db2.gz GCUIXSRGRFDSNN-RSNNXLNZSA-N 2 1 206.333 1.932 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCc1ccncc1 ZINC000903859321 584811378 /nfs/dbraw/zinc/81/13/78/584811378.db2.gz MIAHNUDWXUYLIU-CABCVRRESA-N 2 1 245.370 1.827 20 0 BDADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCc1ccncc1 ZINC000903859321 584811379 /nfs/dbraw/zinc/81/13/79/584811379.db2.gz MIAHNUDWXUYLIU-CABCVRRESA-N 2 1 245.370 1.827 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870279 584814640 /nfs/dbraw/zinc/81/46/40/584814640.db2.gz MCIYRBTUTVNQHQ-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870279 584814641 /nfs/dbraw/zinc/81/46/41/584814641.db2.gz MCIYRBTUTVNQHQ-CYBMUJFWSA-N 3 1 225.380 1.333 20 0 BDADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903869985 584814812 /nfs/dbraw/zinc/81/48/12/584814812.db2.gz BAARVZCONUCELA-TUAOUCFPSA-N 2 1 226.389 1.281 20 0 BDADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872184 584814930 /nfs/dbraw/zinc/81/49/30/584814930.db2.gz WXZRITUJMLRAAM-FRRDWIJNSA-N 2 1 208.349 1.860 20 0 BDADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872731 584815254 /nfs/dbraw/zinc/81/52/54/584815254.db2.gz AYNBZVPKVQCFFW-IUKMKKQMSA-N 3 1 237.391 1.186 20 0 BDADMP CC(C)[N@@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878704 584816664 /nfs/dbraw/zinc/81/66/64/584816664.db2.gz WWLIEDHVTGBIST-YHWZYXNKSA-N 2 1 226.364 1.220 20 0 BDADMP C[C@@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903893164 584818946 /nfs/dbraw/zinc/81/89/46/584818946.db2.gz RTCIXLBXKNWHRB-NEPJUHHUSA-N 2 1 249.362 1.187 20 0 BDADMP NC1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000903933191 584824902 /nfs/dbraw/zinc/82/49/02/584824902.db2.gz LQPWYGJQASRDPA-YHWZYXNKSA-N 2 1 237.391 1.378 20 0 BDADMP [NH3+]Cc1ccc(C[NH2+]C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903931421 584824947 /nfs/dbraw/zinc/82/49/47/584824947.db2.gz DGMSTWLJCRSROL-NSHDSACASA-N 3 1 243.301 1.217 20 0 BDADMP N[C@H](C[NH2+]Cc1ccc(C[NH3+])cc1)CC(F)F ZINC000903931421 584824948 /nfs/dbraw/zinc/82/49/48/584824948.db2.gz DGMSTWLJCRSROL-NSHDSACASA-N 2 1 243.301 1.217 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000903947633 584829307 /nfs/dbraw/zinc/82/93/07/584829307.db2.gz CYGQDKSERKFCNV-CHWSQXEVSA-N 3 1 239.407 1.720 20 0 BDADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963667 584833704 /nfs/dbraw/zinc/83/37/04/584833704.db2.gz FBJQXZDSQOCXQR-MBNYWOFBSA-N 2 1 248.370 1.824 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000903964032 584834265 /nfs/dbraw/zinc/83/42/65/584834265.db2.gz FSHIAPIBWBWSGN-KOLCDFICSA-N 2 1 240.297 1.910 20 0 BDADMP CC[C@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH3+])C2)CCO1 ZINC000903984671 584835308 /nfs/dbraw/zinc/83/53/08/584835308.db2.gz QSUKYNCTVXFONZ-AVGNSLFASA-N 2 1 226.364 1.615 20 0 BDADMP C[NH2+]C1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000904300161 584861036 /nfs/dbraw/zinc/86/10/36/584861036.db2.gz XPOWSIMNDINSCI-UHFFFAOYSA-N 3 1 233.359 1.329 20 0 BDADMP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(C[NH3+])CC1 ZINC000904300145 584861369 /nfs/dbraw/zinc/86/13/69/584861369.db2.gz XFSGFWDSGROCED-CYBMUJFWSA-N 3 1 241.423 1.811 20 0 BDADMP CC[N@@H+](C[C@@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904310015 584863074 /nfs/dbraw/zinc/86/30/74/584863074.db2.gz UVZBZHNELGPPLF-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP C[C@]1(C[N@@H+](CCCO)C2CC2)CCC[NH2+]C1 ZINC000904320416 584863913 /nfs/dbraw/zinc/86/39/13/584863913.db2.gz GNIMTFXPLXFUQA-ZDUSSCGKSA-N 2 1 226.364 1.223 20 0 BDADMP CCO[C@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904322629 584864749 /nfs/dbraw/zinc/86/47/49/584864749.db2.gz FVVVYMBZSRIPAB-XQHKEYJVSA-N 2 1 240.391 1.859 20 0 BDADMP C[C@@H](O)CC[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904321680 584864786 /nfs/dbraw/zinc/86/47/86/584864786.db2.gz BQAKHUNKLBROSF-VXGBXAGGSA-N 2 1 230.396 1.843 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904321680 584864787 /nfs/dbraw/zinc/86/47/87/584864787.db2.gz BQAKHUNKLBROSF-VXGBXAGGSA-N 2 1 230.396 1.843 20 0 BDADMP C[N@@H+](C[C@@H]1CCC[C@@H]1O)C[C@]1(C)CCC[NH2+]C1 ZINC000904329508 584866188 /nfs/dbraw/zinc/86/61/88/584866188.db2.gz ZVRCOBFAWGCDIL-MELADBBJSA-N 2 1 240.391 1.469 20 0 BDADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904334441 584866374 /nfs/dbraw/zinc/86/63/74/584866374.db2.gz WEFXTEFNDNWFHS-CQSZACIVSA-N 3 1 233.359 1.316 20 0 BDADMP C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340926 584867552 /nfs/dbraw/zinc/86/75/52/584867552.db2.gz NZWRNMBHRPGALK-WUHRBBMRSA-N 2 1 226.364 1.349 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000904343497 584867884 /nfs/dbraw/zinc/86/78/84/584867884.db2.gz UPIFMSILMBAWOL-NDBYEHHHSA-N 2 1 224.348 1.082 20 0 BDADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1O ZINC000904345271 584868519 /nfs/dbraw/zinc/86/85/19/584868519.db2.gz BXLGNHCSDRRPFW-QNWHQSFQSA-N 2 1 240.391 1.453 20 0 BDADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H](N)CCC(C)(C)C ZINC000904355645 584871272 /nfs/dbraw/zinc/87/12/72/584871272.db2.gz VMQWGJAUVVYOFF-NWDGAFQWSA-N 2 1 229.412 1.857 20 0 BDADMP C[C@H](CC[NH3+])[NH2+]Cc1nccn1C1CC1 ZINC000904356062 584871499 /nfs/dbraw/zinc/87/14/99/584871499.db2.gz SKXOOUCFNGZXPZ-SECBINFHSA-N 2 1 208.309 1.045 20 0 BDADMP CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904357873 584872174 /nfs/dbraw/zinc/87/21/74/584872174.db2.gz CLUSUODRGZLUDW-ZDUSSCGKSA-N 2 1 235.375 1.608 20 0 BDADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904357873 584872175 /nfs/dbraw/zinc/87/21/75/584872175.db2.gz CLUSUODRGZLUDW-ZDUSSCGKSA-N 3 1 235.375 1.608 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000904358712 584872328 /nfs/dbraw/zinc/87/23/28/584872328.db2.gz ROBZAOMWFHWDME-IGQOVBAYSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](C3CCC3)C2)C1 ZINC000904371158 584873099 /nfs/dbraw/zinc/87/30/99/584873099.db2.gz KKKWTMHLEWCLKS-UHTWSYAYSA-N 2 1 224.348 1.225 20 0 BDADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000904373816 584873853 /nfs/dbraw/zinc/87/38/53/584873853.db2.gz KNNALCUHPVZXOL-NXEZZACHSA-N 2 1 222.336 1.433 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(C[NH3+])cc1 ZINC000904389052 584874796 /nfs/dbraw/zinc/87/47/96/584874796.db2.gz RRXMELMLUXAUAJ-RISCZKNCSA-N 2 1 233.359 1.090 20 0 BDADMP C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000904376249 584876189 /nfs/dbraw/zinc/87/61/89/584876189.db2.gz NHKARBJZXCDIEV-WUHRBBMRSA-N 3 1 225.380 1.173 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000904376247 584876346 /nfs/dbraw/zinc/87/63/46/584876346.db2.gz NHKARBJZXCDIEV-NDBYEHHHSA-N 3 1 225.380 1.173 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904383598 584877505 /nfs/dbraw/zinc/87/75/05/584877505.db2.gz CTGISRFDDOKKMX-CQSZACIVSA-N 3 1 241.423 1.827 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406273 584878240 /nfs/dbraw/zinc/87/82/40/584878240.db2.gz DRSJHKIMPNWPNL-OLZOCXBDSA-N 3 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H](CC[NH3+])C1 ZINC000904406273 584878245 /nfs/dbraw/zinc/87/82/45/584878245.db2.gz DRSJHKIMPNWPNL-OLZOCXBDSA-N 2 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@H](N)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406273 584878246 /nfs/dbraw/zinc/87/82/46/584878246.db2.gz DRSJHKIMPNWPNL-OLZOCXBDSA-N 2 1 241.423 1.811 20 0 BDADMP CC(C)(C)CC[C@H](N)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406273 584878248 /nfs/dbraw/zinc/87/82/48/584878248.db2.gz DRSJHKIMPNWPNL-OLZOCXBDSA-N 2 1 241.423 1.811 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904405679 584878377 /nfs/dbraw/zinc/87/83/77/584878377.db2.gz MJQOHSIZRNQYKN-SNVBAGLBSA-N 2 1 239.388 1.876 20 0 BDADMP C[C@@H]1C[N@@H+](CC2=CCCOC2)CC[C@@H]1C[NH3+] ZINC000904411264 584879797 /nfs/dbraw/zinc/87/97/97/584879797.db2.gz SZVDQIVDSLEWKE-DGCLKSJQSA-N 2 1 224.348 1.250 20 0 BDADMP CC[C@H]1C[C@@H](C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000904415552 584880335 /nfs/dbraw/zinc/88/03/35/584880335.db2.gz RESPPVNJCSEIKK-MROQNXINSA-N 2 1 226.364 1.471 20 0 BDADMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000817954601 584991183 /nfs/dbraw/zinc/99/11/83/584991183.db2.gz ZUMDHPOVGUAOPB-LBPRGKRZSA-N 2 1 236.363 1.765 20 0 BDADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000821386129 585016145 /nfs/dbraw/zinc/01/61/45/585016145.db2.gz IWWLWPDNHFTZCL-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000821386129 585016146 /nfs/dbraw/zinc/01/61/46/585016146.db2.gz IWWLWPDNHFTZCL-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000821386129 585016147 /nfs/dbraw/zinc/01/61/47/585016147.db2.gz IWWLWPDNHFTZCL-MELADBBJSA-N 2 1 240.391 1.828 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C2CC2)CC[N@@H+]1C ZINC000838865004 585076344 /nfs/dbraw/zinc/07/63/44/585076344.db2.gz WZSWNHXETGFNTP-RAIGVLPGSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C2CC2)CC[N@H+]1C ZINC000838865004 585076345 /nfs/dbraw/zinc/07/63/45/585076345.db2.gz WZSWNHXETGFNTP-RAIGVLPGSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C2CC2)CC[NH+]1C ZINC000838865004 585076346 /nfs/dbraw/zinc/07/63/46/585076346.db2.gz WZSWNHXETGFNTP-RAIGVLPGSA-N 2 1 226.364 1.172 20 0 BDADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)C2CC2)CC[NH+]1C ZINC000838865004 585076347 /nfs/dbraw/zinc/07/63/47/585076347.db2.gz WZSWNHXETGFNTP-RAIGVLPGSA-N 2 1 226.364 1.172 20 0 BDADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)C1CC1)CC2 ZINC000838910118 585077770 /nfs/dbraw/zinc/07/77/70/585077770.db2.gz MVICCMVEINNLHE-ZDUSSCGKSA-N 2 1 238.375 1.318 20 0 BDADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H](O)C1CC1 ZINC000839029517 585088454 /nfs/dbraw/zinc/08/84/54/585088454.db2.gz GWSYQVXVIURPIM-GFCCVEGCSA-N 2 1 226.364 1.221 20 0 BDADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886841716 585184423 /nfs/dbraw/zinc/18/44/23/585184423.db2.gz TVQMDUWZBKQYKD-LPWJVIDDSA-N 2 1 224.348 1.225 20 0 BDADMP Cc1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)on1 ZINC000886872249 585186666 /nfs/dbraw/zinc/18/66/66/585186666.db2.gz NIQXHPXABHPMGR-CQSZACIVSA-N 2 1 249.358 1.949 20 0 BDADMP Cc1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)on1 ZINC000886872249 585186667 /nfs/dbraw/zinc/18/66/67/585186667.db2.gz NIQXHPXABHPMGR-CQSZACIVSA-N 2 1 249.358 1.949 20 0 BDADMP C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1C ZINC000767586332 585522987 /nfs/dbraw/zinc/52/29/87/585522987.db2.gz GAHHHCYYVCZVJV-STQMWFEESA-N 2 1 225.380 1.107 20 0 BDADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)nc2)CC1 ZINC000778178336 585727115 /nfs/dbraw/zinc/72/71/15/585727115.db2.gz LMHPMKZMASETBA-UHFFFAOYSA-N 2 1 235.306 1.572 20 0 BDADMP C[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000783240774 585831836 /nfs/dbraw/zinc/83/18/36/585831836.db2.gz QPLWXLZKIJGBBG-MGPQQGTHSA-N 2 1 240.391 1.611 20 0 BDADMP COC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000790756466 585968112 /nfs/dbraw/zinc/96/81/12/585968112.db2.gz QAVZZEGYXOVYJC-JQWIXIFHSA-N 2 1 240.347 1.012 20 0 BDADMP CC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000799324967 586171903 /nfs/dbraw/zinc/17/19/03/586171903.db2.gz RTDUMFZGNGYUGN-LBPRGKRZSA-N 2 1 214.353 1.175 20 0 BDADMP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(N)[nH+]1 ZINC000811811439 586567207 /nfs/dbraw/zinc/56/72/07/586567207.db2.gz BVKJUAUVGGCPCP-VHSXEESVSA-N 2 1 247.346 1.404 20 0 BDADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)n(C)n1 ZINC000813876868 586608488 /nfs/dbraw/zinc/60/84/88/586608488.db2.gz AZOKFWWGWIFFBA-ZYHUDNBSSA-N 2 1 238.379 1.577 20 0 BDADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCCO ZINC000817918832 586831270 /nfs/dbraw/zinc/83/12/70/586831270.db2.gz NPABOHZJMRWLHZ-NEPJUHHUSA-N 2 1 214.353 1.127 20 0 BDADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817892511 586833041 /nfs/dbraw/zinc/83/30/41/586833041.db2.gz ASNQGQDHARRQBK-GDLCADMTSA-N 2 1 234.343 1.709 20 0 BDADMP CC(C)C[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000817903825 586836699 /nfs/dbraw/zinc/83/66/99/586836699.db2.gz LZMLTKUWLRVBCK-JHJVBQTASA-N 2 1 228.380 1.514 20 0 BDADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000817911427 586837875 /nfs/dbraw/zinc/83/78/75/586837875.db2.gz AHFBMIXKWBTMEG-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000817911427 586837878 /nfs/dbraw/zinc/83/78/78/586837878.db2.gz AHFBMIXKWBTMEG-FRRDWIJNSA-N 2 1 225.380 1.188 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])N1CCCCC1 ZINC000817914682 586839090 /nfs/dbraw/zinc/83/90/90/586839090.db2.gz XZHMNPLVIGGMNQ-UPJWGTAASA-N 2 1 225.380 1.330 20 0 BDADMP C[C@H](NCC[N@H+]1CCC[C@H]1C)c1c[nH+]ccc1N ZINC000817913297 586839636 /nfs/dbraw/zinc/83/96/36/586839636.db2.gz NLNWRHMZOAMETA-NEPJUHHUSA-N 2 1 248.374 1.629 20 0 BDADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817926374 586841241 /nfs/dbraw/zinc/84/12/41/586841241.db2.gz HOUIESMCOILDPX-RDBSUJKOSA-N 2 1 234.343 1.498 20 0 BDADMP CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1CCC[NH2+]1 ZINC000817923779 586841348 /nfs/dbraw/zinc/84/13/48/586841348.db2.gz HYSHEGKWQZNZEO-XQQFMLRXSA-N 2 1 224.348 1.799 20 0 BDADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000817933175 586843256 /nfs/dbraw/zinc/84/32/56/586843256.db2.gz ZASUEEXGKZYIRX-RRFJBIMHSA-N 2 1 248.370 1.806 20 0 BDADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000817933176 586843574 /nfs/dbraw/zinc/84/35/74/586843574.db2.gz ZASUEEXGKZYIRX-SOUVJXGZSA-N 2 1 248.370 1.806 20 0 BDADMP c1n[nH]c2c1[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000817955593 586849807 /nfs/dbraw/zinc/84/98/07/586849807.db2.gz ZNIFEBXCLQJPGR-PWSUYJOCSA-N 2 1 234.347 1.376 20 0 BDADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817970967 586857814 /nfs/dbraw/zinc/85/78/14/586857814.db2.gz ISXUBOLTZVAGJE-VHSXEESVSA-N 2 1 220.316 1.619 20 0 BDADMP c1n[nH]c2c1[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976624 586860586 /nfs/dbraw/zinc/86/05/86/586860586.db2.gz PSLIIIXYFOOALX-YPMHNXCESA-N 2 1 246.358 1.519 20 0 BDADMP C[C@@H]1CC2(C[N@H+]1CCF)CC[NH2+]CC2 ZINC000818341208 586887376 /nfs/dbraw/zinc/88/73/76/586887376.db2.gz XZHXDKXVCMEQCT-SNVBAGLBSA-N 2 1 200.301 1.420 20 0 BDADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)C1CC1 ZINC000818965447 586918072 /nfs/dbraw/zinc/91/80/72/586918072.db2.gz IEIFBIRDDCQBOP-MFKMUULPSA-N 2 1 237.347 1.188 20 0 BDADMP C1CC1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820805102 587073669 /nfs/dbraw/zinc/07/36/69/587073669.db2.gz FQRSWGTVBYYKTK-VGPLMAKISA-N 2 1 206.333 1.896 20 0 BDADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000821401975 587117424 /nfs/dbraw/zinc/11/74/24/587117424.db2.gz JXJHIECFRBYICY-FRRDWIJNSA-N 2 1 226.364 1.437 20 0 BDADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)CC[NH3+] ZINC000834452688 587755360 /nfs/dbraw/zinc/75/53/60/587755360.db2.gz JQSLHBTUPNZDEA-GFCCVEGCSA-N 2 1 243.395 1.352 20 0 BDADMP Cc1noc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000104083587 587933886 /nfs/dbraw/zinc/93/38/86/587933886.db2.gz BEBILDYSTPXZGE-UHFFFAOYSA-N 2 1 238.335 1.152 20 0 BDADMP Cc1noc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000104083587 587933889 /nfs/dbraw/zinc/93/38/89/587933889.db2.gz BEBILDYSTPXZGE-UHFFFAOYSA-N 2 1 238.335 1.152 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000841061582 587941549 /nfs/dbraw/zinc/94/15/49/587941549.db2.gz KQGKMXDIRCOFBS-MWLCHTKSSA-N 2 1 239.750 1.965 20 0 BDADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000841065151 587941841 /nfs/dbraw/zinc/94/18/41/587941841.db2.gz YEJUYBHUPVXHFM-GXSJLCMTSA-N 2 1 239.750 1.823 20 0 BDADMP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H](O)c1ccsc1 ZINC000841095861 587946637 /nfs/dbraw/zinc/94/66/37/587946637.db2.gz PKGZSNHVEPKTLT-NWDGAFQWSA-N 2 1 242.388 1.745 20 0 BDADMP NC(=O)[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000842471482 588028340 /nfs/dbraw/zinc/02/83/40/588028340.db2.gz DBJVYLBARKWOSV-LBPRGKRZSA-N 2 1 241.379 1.235 20 0 BDADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843052078 588077079 /nfs/dbraw/zinc/07/70/79/588077079.db2.gz FTPHCPLNZXGYPQ-CYBMUJFWSA-N 2 1 246.354 1.758 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843052078 588077081 /nfs/dbraw/zinc/07/70/81/588077081.db2.gz FTPHCPLNZXGYPQ-CYBMUJFWSA-N 2 1 246.354 1.758 20 0 BDADMP [NH3+]CCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000843340776 588100894 /nfs/dbraw/zinc/10/08/94/588100894.db2.gz DZZXIYXCGGLFDV-UONOGXRCSA-N 3 1 239.407 1.722 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000843349347 588102227 /nfs/dbraw/zinc/10/22/27/588102227.db2.gz VSSWHEXEGZOZRL-GFCCVEGCSA-N 2 1 242.363 1.261 20 0 BDADMP C[NH2+]C1CCN(CCCCCCC[NH3+])CC1 ZINC000843351680 588102502 /nfs/dbraw/zinc/10/25/02/588102502.db2.gz XANFNYHOMDQDDM-UHFFFAOYSA-N 2 1 227.396 1.579 20 0 BDADMP C[N@@H+](CCOCC(F)F)C1CCC([NH3+])CC1 ZINC000843355706 588102870 /nfs/dbraw/zinc/10/28/70/588102870.db2.gz UXHZHKCGSISKIA-UHFFFAOYSA-N 2 1 236.306 1.470 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455372 588196095 /nfs/dbraw/zinc/19/60/95/588196095.db2.gz AEXYVKUFFVFYDQ-MXWKQRLJSA-N 2 1 230.302 1.668 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455372 588196097 /nfs/dbraw/zinc/19/60/97/588196097.db2.gz AEXYVKUFFVFYDQ-MXWKQRLJSA-N 2 1 230.302 1.668 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455372 588196098 /nfs/dbraw/zinc/19/60/98/588196098.db2.gz AEXYVKUFFVFYDQ-MXWKQRLJSA-N 2 1 230.302 1.668 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455372 588196100 /nfs/dbraw/zinc/19/61/00/588196100.db2.gz AEXYVKUFFVFYDQ-MXWKQRLJSA-N 2 1 230.302 1.668 20 0 BDADMP CCC[C@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000846221357 588260123 /nfs/dbraw/zinc/26/01/23/588260123.db2.gz XPRVWPZMHUFWQY-LBPRGKRZSA-N 2 1 241.379 1.106 20 0 BDADMP CCC[N@@H+](CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000846220017 588260713 /nfs/dbraw/zinc/26/07/13/588260713.db2.gz IXRGNSSOWHMRHG-UHFFFAOYSA-N 3 1 241.423 1.970 20 0 BDADMP CCC[N@H+](CCCCCC[NH3+])C1CCNCC1 ZINC000846220017 588260714 /nfs/dbraw/zinc/26/07/14/588260714.db2.gz IXRGNSSOWHMRHG-UHFFFAOYSA-N 2 1 241.423 1.970 20 0 BDADMP CCC[N@@H+](CCCCCC[NH3+])C1CCNCC1 ZINC000846220017 588260715 /nfs/dbraw/zinc/26/07/15/588260715.db2.gz IXRGNSSOWHMRHG-UHFFFAOYSA-N 2 1 241.423 1.970 20 0 BDADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](C)CN1 ZINC000846220142 588260878 /nfs/dbraw/zinc/26/08/78/588260878.db2.gz DGIBGZPJQNSXFM-NEPJUHHUSA-N 2 1 213.369 1.188 20 0 BDADMP C[C@@H]1CN(CCCCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000846220142 588260879 /nfs/dbraw/zinc/26/08/79/588260879.db2.gz DGIBGZPJQNSXFM-NEPJUHHUSA-N 2 1 213.369 1.188 20 0 BDADMP CC(C)[NH2+]C1CCN(CCCCCC[NH3+])CC1 ZINC000846219538 588260961 /nfs/dbraw/zinc/26/09/61/588260961.db2.gz CGILPGHPLJRXKR-UHFFFAOYSA-N 2 1 241.423 1.968 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000846220389 588260998 /nfs/dbraw/zinc/26/09/98/588260998.db2.gz IDMWCCSDAVKJHN-CHWSQXEVSA-N 3 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000846220389 588260999 /nfs/dbraw/zinc/26/09/99/588260999.db2.gz IDMWCCSDAVKJHN-CHWSQXEVSA-N 2 1 225.380 1.189 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000846221118 588261051 /nfs/dbraw/zinc/26/10/51/588261051.db2.gz SSWZLBRSVXZLIO-CYBMUJFWSA-N 2 1 226.364 1.616 20 0 BDADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C/C=C/Cl ZINC000846220580 588261198 /nfs/dbraw/zinc/26/11/98/588261198.db2.gz LQZAQWHDWQOSRQ-SGRBOOSSSA-N 2 1 202.729 1.717 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000846220533 588261491 /nfs/dbraw/zinc/26/14/91/588261491.db2.gz JYJQCIRHWAMWAC-AWEZNQCLSA-N 2 1 239.407 1.581 20 0 BDADMP C[C@H]1CC[N@@H+](CCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000846223073 588261834 /nfs/dbraw/zinc/26/18/34/588261834.db2.gz GMGQTPGXVTVPIE-STQMWFEESA-N 3 1 227.396 1.422 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000848981015 588423619 /nfs/dbraw/zinc/42/36/19/588423619.db2.gz VCHSIAXICASTTD-WDEREUQCSA-N 2 1 226.368 1.383 20 0 BDADMP CC(C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987023 588426015 /nfs/dbraw/zinc/42/60/15/588426015.db2.gz GIFSMUSIVZLZDY-NEPJUHHUSA-N 2 1 240.395 1.772 20 0 BDADMP C[C@@H](CNC(=[NH2+])N(C)C)[N@H+]1CCCC[C@@H]1C ZINC000848987408 588426075 /nfs/dbraw/zinc/42/60/75/588426075.db2.gz ULAKZQIIFHUNMV-QWRGUYRKSA-N 2 1 226.368 1.335 20 0 BDADMP CCNC(=[NH2+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000848988166 588426172 /nfs/dbraw/zinc/42/61/72/588426172.db2.gz JRYSUNOIYSLUCU-TXEJJXNPSA-N 2 1 240.395 1.488 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996496 588429240 /nfs/dbraw/zinc/42/92/40/588429240.db2.gz ZDMDDJDFTLSFEP-RYUDHWBXSA-N 2 1 240.395 1.629 20 0 BDADMP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000848998964 588429853 /nfs/dbraw/zinc/42/98/53/588429853.db2.gz NDMFBJMTSVMVNP-NSHDSACASA-N 2 1 228.384 1.629 20 0 BDADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])Nc2ccccn2)C1 ZINC000849004445 588431651 /nfs/dbraw/zinc/43/16/51/588431651.db2.gz PVRPKPHYFXXDLA-LLVKDONJSA-N 2 1 247.346 1.360 20 0 BDADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1CC ZINC000849005991 588432523 /nfs/dbraw/zinc/43/25/23/588432523.db2.gz JLJQHRHXPLZBGF-NEPJUHHUSA-N 2 1 240.395 1.773 20 0 BDADMP CC(C)CCNC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000849024245 588439934 /nfs/dbraw/zinc/43/99/34/588439934.db2.gz ILDPZWGGBFQAGW-UHFFFAOYSA-N 2 1 238.379 1.408 20 0 BDADMP CC(C)CCNC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000849024245 588439935 /nfs/dbraw/zinc/43/99/35/588439935.db2.gz ILDPZWGGBFQAGW-UHFFFAOYSA-N 2 1 238.379 1.408 20 0 BDADMP CCCNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039737 588447298 /nfs/dbraw/zinc/44/72/98/588447298.db2.gz PMYPMJCAHVWICU-UHFFFAOYSA-N 2 1 226.368 1.385 20 0 BDADMP CC(C)CCNC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043719 588449085 /nfs/dbraw/zinc/44/90/85/588449085.db2.gz RXWJMFFPTVJSNY-UHFFFAOYSA-N 2 1 226.368 1.241 20 0 BDADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N1CCC1 ZINC000849046772 588450249 /nfs/dbraw/zinc/45/02/49/588450249.db2.gz LCZGVQMICGZGIB-UHFFFAOYSA-N 2 1 226.368 1.194 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850538888 588558671 /nfs/dbraw/zinc/55/86/71/588558671.db2.gz NSZBHXSOVCJYJW-QWHCGFSZSA-N 2 1 240.391 1.754 20 0 BDADMP C[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850538888 588558673 /nfs/dbraw/zinc/55/86/73/588558673.db2.gz NSZBHXSOVCJYJW-QWHCGFSZSA-N 2 1 240.391 1.754 20 0 BDADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000852078131 588660178 /nfs/dbraw/zinc/66/01/78/588660178.db2.gz LQKQNECAQWRPLV-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000852078131 588660179 /nfs/dbraw/zinc/66/01/79/588660179.db2.gz LQKQNECAQWRPLV-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000852078131 588660180 /nfs/dbraw/zinc/66/01/80/588660180.db2.gz LQKQNECAQWRPLV-MCIONIFRSA-N 2 1 238.375 1.582 20 0 BDADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ncn1 ZINC000852741238 588698320 /nfs/dbraw/zinc/69/83/20/588698320.db2.gz OWXRILKWXRTDPT-UHFFFAOYSA-N 2 1 234.347 1.487 20 0 BDADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)nc(C)n1 ZINC000852741553 588698682 /nfs/dbraw/zinc/69/86/82/588698682.db2.gz VFCZUUXLAUIMIT-UHFFFAOYSA-N 2 1 248.374 1.795 20 0 BDADMP CO[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C1CCCC1 ZINC000852744318 588698813 /nfs/dbraw/zinc/69/88/13/588698813.db2.gz YIQGFIHCBLVXAL-OCCSQVGLSA-N 2 1 240.391 1.862 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000852750471 588699985 /nfs/dbraw/zinc/69/99/85/588699985.db2.gz VYQDAPMPRPKMGN-NSHDSACASA-N 2 1 234.290 1.301 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000852750471 588699986 /nfs/dbraw/zinc/69/99/86/588699986.db2.gz VYQDAPMPRPKMGN-NSHDSACASA-N 2 1 234.290 1.301 20 0 BDADMP FC(F)OCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000852750470 588700087 /nfs/dbraw/zinc/70/00/87/588700087.db2.gz VYQDAPMPRPKMGN-LLVKDONJSA-N 2 1 234.290 1.301 20 0 BDADMP FC(F)OCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000852750470 588700088 /nfs/dbraw/zinc/70/00/88/588700088.db2.gz VYQDAPMPRPKMGN-LLVKDONJSA-N 2 1 234.290 1.301 20 0 BDADMP C[C@]12COC[C@H]1C[N@@H+](CCCCCCC[NH3+])C2 ZINC000852758925 588700661 /nfs/dbraw/zinc/70/06/61/588700661.db2.gz HKJBMLRHOZTAMP-KGLIPLIRSA-N 2 1 240.391 1.864 20 0 BDADMP [NH3+]CCCCCCC[N@H+]1CCc2nccnc2C1 ZINC000852761287 588701104 /nfs/dbraw/zinc/70/11/04/588701104.db2.gz UDJOLBAHRLXDMV-UHFFFAOYSA-N 2 1 248.374 1.744 20 0 BDADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000863484017 589293224 /nfs/dbraw/zinc/29/32/24/589293224.db2.gz GKMIVWRBORKBAP-YIYPIFLZSA-N 2 1 240.391 1.922 20 0 BDADMP CCO[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000863539548 589296628 /nfs/dbraw/zinc/29/66/28/589296628.db2.gz DZXXVLIUFHQNGS-WCQYABFASA-N 2 1 226.364 1.472 20 0 BDADMP CCC(CC)NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000864463817 589370000 /nfs/dbraw/zinc/37/00/00/589370000.db2.gz KXEDOMJUOVYIJG-LLVKDONJSA-N 2 1 249.362 1.500 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864468189 589372057 /nfs/dbraw/zinc/37/20/57/589372057.db2.gz GOWLVNFYNZUXDC-WOPDTQHZSA-N 2 1 238.379 1.383 20 0 BDADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864468185 589372285 /nfs/dbraw/zinc/37/22/85/589372285.db2.gz GOWLVNFYNZUXDC-SDDRHHMPSA-N 2 1 238.379 1.383 20 0 BDADMP C[C@@H]1C[N@@H+](CCC2SCCS2)C[C@H]1C[NH3+] ZINC000866672683 589510725 /nfs/dbraw/zinc/51/07/25/589510725.db2.gz QPKCPKBFUJEEKZ-NXEZZACHSA-N 2 1 246.445 1.709 20 0 BDADMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704825 589514805 /nfs/dbraw/zinc/51/48/05/589514805.db2.gz YDSIRIUSPOGDQB-TUAOUCFPSA-N 2 1 226.389 1.281 20 0 BDADMP C[N@@H+](CCOCC[NH3+])Cc1ccc2cc[nH]c2c1 ZINC000866717851 589515350 /nfs/dbraw/zinc/51/53/50/589515350.db2.gz RJZFHWDKRAXBSP-UHFFFAOYSA-N 2 1 247.342 1.575 20 0 BDADMP CC1(C)CO[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000872145083 589884087 /nfs/dbraw/zinc/88/40/87/589884087.db2.gz ONFGQTMYCQAFLS-GFCCVEGCSA-N 2 1 238.375 1.629 20 0 BDADMP C[C@@H]1C[N@H+](CCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872153486 589884793 /nfs/dbraw/zinc/88/47/93/589884793.db2.gz CNZYJLYQOFCWPG-RKDXNWHRSA-N 2 1 240.269 1.377 20 0 BDADMP C[C@@H]1C[N@@H+](CCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872153486 589884794 /nfs/dbraw/zinc/88/47/94/589884794.db2.gz CNZYJLYQOFCWPG-RKDXNWHRSA-N 2 1 240.269 1.377 20 0 BDADMP COCCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153982 589885268 /nfs/dbraw/zinc/88/52/68/589885268.db2.gz PZMZNMIIURPQFZ-QWHCGFSZSA-N 2 1 226.364 1.344 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000872146413 589885540 /nfs/dbraw/zinc/88/55/40/589885540.db2.gz NBZSYFJHDAKKJB-QNWHQSFQSA-N 2 1 224.348 1.238 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000872146413 589885541 /nfs/dbraw/zinc/88/55/41/589885541.db2.gz NBZSYFJHDAKKJB-QNWHQSFQSA-N 2 1 224.348 1.238 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCOC(F)F ZINC000872158234 589885709 /nfs/dbraw/zinc/88/57/09/589885709.db2.gz UFRVDTMYSUAHGZ-UHFFFAOYSA-N 2 1 224.295 1.677 20 0 BDADMP COCC1([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CCC1 ZINC000872157056 589886560 /nfs/dbraw/zinc/88/65/60/589886560.db2.gz HMYURBHNSRNINR-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP Cc1[nH+]ccn1CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315188 589909854 /nfs/dbraw/zinc/90/98/54/589909854.db2.gz OQUDSCOFSYHSSB-OLZOCXBDSA-N 2 1 235.331 1.493 20 0 BDADMP CC(C)(C)[NH2+]CC[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873215923 589998414 /nfs/dbraw/zinc/99/84/14/589998414.db2.gz HKTYCPCLDSBLJP-NWBUJAPZSA-N 2 1 238.375 1.388 20 0 BDADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234285 590000686 /nfs/dbraw/zinc/00/06/86/590000686.db2.gz DIOGRRCTTSNSTR-QJPTWQEYSA-N 2 1 228.380 1.778 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc(N)cn1 ZINC000873231598 590002614 /nfs/dbraw/zinc/00/26/14/590002614.db2.gz QTVHHMPIMGHRSC-UHFFFAOYSA-N 2 1 237.351 1.010 20 0 BDADMP C[C@@H]1C[C@H](CN[C@@]23CCC[C@H]2[NH2+]CC3)CC[NH2+]1 ZINC000873231852 590002971 /nfs/dbraw/zinc/00/29/71/590002971.db2.gz SAKYRSIBWZCTDL-AAVRWANBSA-N 2 1 237.391 1.249 20 0 BDADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256214 590010833 /nfs/dbraw/zinc/01/08/33/590010833.db2.gz MUXBTGFGENATCX-CYUUQNCZSA-N 2 1 247.386 1.272 20 0 BDADMP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873280429 590017839 /nfs/dbraw/zinc/01/78/39/590017839.db2.gz AOMGOVBVSCMBQF-IKOXMDCHSA-N 2 1 238.375 1.532 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1c[nH+]ccc1N ZINC000873281432 590018666 /nfs/dbraw/zinc/01/86/66/590018666.db2.gz IXPORRZEQAOEQF-GHMZBOCLSA-N 2 1 249.358 1.960 20 0 BDADMP CC[NH+]1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000020593512 590125187 /nfs/dbraw/zinc/12/51/87/590125187.db2.gz SHCLAWBUTZRELZ-UHFFFAOYSA-N 2 1 225.380 1.014 20 0 BDADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(=O)[nH]c3)CC[C@H]21 ZINC000877739450 590407584 /nfs/dbraw/zinc/40/75/84/590407584.db2.gz GCSHGMQYMVLMHO-QWHCGFSZSA-N 2 1 247.342 1.313 20 0 BDADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(=O)[nH]c3)CC[C@H]21 ZINC000877739450 590407586 /nfs/dbraw/zinc/40/75/86/590407586.db2.gz GCSHGMQYMVLMHO-QWHCGFSZSA-N 2 1 247.342 1.313 20 0 BDADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(=O)[nH]c3)CC[C@H]21 ZINC000877739450 590407587 /nfs/dbraw/zinc/40/75/87/590407587.db2.gz GCSHGMQYMVLMHO-QWHCGFSZSA-N 2 1 247.342 1.313 20 0 BDADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)CC[C@H]21 ZINC000877739450 590407589 /nfs/dbraw/zinc/40/75/89/590407589.db2.gz GCSHGMQYMVLMHO-QWHCGFSZSA-N 2 1 247.342 1.313 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCOC3)CC[C@H]21 ZINC000877744039 590410472 /nfs/dbraw/zinc/41/04/72/590410472.db2.gz ZKAJFOMQSRHHMN-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCOC3)CC[C@H]21 ZINC000877744039 590410473 /nfs/dbraw/zinc/41/04/73/590410473.db2.gz ZKAJFOMQSRHHMN-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCOC3)CC[C@H]21 ZINC000877744039 590410476 /nfs/dbraw/zinc/41/04/76/590410476.db2.gz ZKAJFOMQSRHHMN-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCOC3)CC[C@H]21 ZINC000877744039 590410477 /nfs/dbraw/zinc/41/04/77/590410477.db2.gz ZKAJFOMQSRHHMN-MGPQQGTHSA-N 2 1 238.375 1.439 20 0 BDADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC[C@@H]3CCO3)CC[C@H]21 ZINC000877743395 590411868 /nfs/dbraw/zinc/41/18/68/590411868.db2.gz VNGSHUOCCILWMH-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](CCC[C@@H]3CCO3)CC[C@H]21 ZINC000877743395 590411871 /nfs/dbraw/zinc/41/18/71/590411871.db2.gz VNGSHUOCCILWMH-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@H+](CCC[C@@H]3CCO3)CC[C@H]21 ZINC000877743395 590411874 /nfs/dbraw/zinc/41/18/74/590411874.db2.gz VNGSHUOCCILWMH-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC[C@@H]3CCO3)CC[C@H]21 ZINC000877743395 590411877 /nfs/dbraw/zinc/41/18/77/590411877.db2.gz VNGSHUOCCILWMH-MGPQQGTHSA-N 2 1 238.375 1.582 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n1C ZINC000877743792 590411990 /nfs/dbraw/zinc/41/19/90/590411990.db2.gz YJVMZFBAWYQTJC-GXTWGEPZSA-N 2 1 248.374 1.255 20 0 BDADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1C ZINC000877743792 590411992 /nfs/dbraw/zinc/41/19/92/590411992.db2.gz YJVMZFBAWYQTJC-GXTWGEPZSA-N 2 1 248.374 1.255 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000878105230 590495371 /nfs/dbraw/zinc/49/53/71/590495371.db2.gz YNZWNCMLTCXOQK-UPJWGTAASA-N 2 1 226.364 1.295 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000878162262 590512039 /nfs/dbraw/zinc/51/20/39/590512039.db2.gz CQCPQFCDAJBIKO-SYQHCUMBSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000878162262 590512041 /nfs/dbraw/zinc/51/20/41/590512041.db2.gz CQCPQFCDAJBIKO-SYQHCUMBSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000878162262 590512044 /nfs/dbraw/zinc/51/20/44/590512044.db2.gz CQCPQFCDAJBIKO-SYQHCUMBSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000878162262 590512046 /nfs/dbraw/zinc/51/20/46/590512046.db2.gz CQCPQFCDAJBIKO-SYQHCUMBSA-N 2 1 240.391 1.826 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000878162262 590512048 /nfs/dbraw/zinc/51/20/48/590512048.db2.gz CQCPQFCDAJBIKO-SYQHCUMBSA-N 2 1 240.391 1.826 20 0 BDADMP CC(C)OCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572906 590810125 /nfs/dbraw/zinc/81/01/25/590810125.db2.gz KTEDLQDLAWLCOS-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572906 590810129 /nfs/dbraw/zinc/81/01/29/590810129.db2.gz KTEDLQDLAWLCOS-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572906 590810131 /nfs/dbraw/zinc/81/01/31/590810131.db2.gz KTEDLQDLAWLCOS-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP CC(C)OCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572906 590810136 /nfs/dbraw/zinc/81/01/36/590810136.db2.gz KTEDLQDLAWLCOS-KGLIPLIRSA-N 2 1 240.391 1.828 20 0 BDADMP COC(CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879578196 590815376 /nfs/dbraw/zinc/81/53/76/590815376.db2.gz BSXFFIHMSLVRGP-VXGBXAGGSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879578196 590815379 /nfs/dbraw/zinc/81/53/79/590815379.db2.gz BSXFFIHMSLVRGP-VXGBXAGGSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000879578196 590815383 /nfs/dbraw/zinc/81/53/83/590815383.db2.gz BSXFFIHMSLVRGP-VXGBXAGGSA-N 2 1 242.363 1.021 20 0 BDADMP COC(CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000879578196 590815386 /nfs/dbraw/zinc/81/53/86/590815386.db2.gz BSXFFIHMSLVRGP-VXGBXAGGSA-N 2 1 242.363 1.021 20 0 BDADMP C[C@H](O)CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580029 590816555 /nfs/dbraw/zinc/81/65/55/590816555.db2.gz DICCNKUPFYANBT-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580029 590816558 /nfs/dbraw/zinc/81/65/58/590816558.db2.gz DICCNKUPFYANBT-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580029 590816560 /nfs/dbraw/zinc/81/65/60/590816560.db2.gz DICCNKUPFYANBT-AVGNSLFASA-N 2 1 226.364 1.173 20 0 BDADMP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879579488 590816683 /nfs/dbraw/zinc/81/66/83/590816683.db2.gz MQQDZMBFEOIGNO-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000879579488 590816687 /nfs/dbraw/zinc/81/66/87/590816687.db2.gz MQQDZMBFEOIGNO-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000879579488 590816689 /nfs/dbraw/zinc/81/66/89/590816689.db2.gz MQQDZMBFEOIGNO-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000879579488 590816693 /nfs/dbraw/zinc/81/66/93/590816693.db2.gz MQQDZMBFEOIGNO-IGQOVBAYSA-N 2 1 238.375 1.437 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)O1 ZINC000879583346 590821724 /nfs/dbraw/zinc/82/17/24/590821724.db2.gz XYNDMYZIHHTTEO-AAVRWANBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)O1 ZINC000879583346 590821726 /nfs/dbraw/zinc/82/17/26/590821726.db2.gz XYNDMYZIHHTTEO-AAVRWANBSA-N 2 1 238.375 1.580 20 0 BDADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)O1 ZINC000879583346 590821728 /nfs/dbraw/zinc/82/17/28/590821728.db2.gz XYNDMYZIHHTTEO-AAVRWANBSA-N 2 1 238.375 1.580 20 0 BDADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCc1cccnc1 ZINC000880137717 590939924 /nfs/dbraw/zinc/93/99/24/590939924.db2.gz JLQSJKBUCRFJJY-GJZGRUSLSA-N 2 1 245.370 1.793 20 0 BDADMP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCc1cccnc1 ZINC000880137717 590939927 /nfs/dbraw/zinc/93/99/27/590939927.db2.gz JLQSJKBUCRFJJY-GJZGRUSLSA-N 2 1 245.370 1.793 20 0 BDADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCc1cccnc1 ZINC000880137717 590939930 /nfs/dbraw/zinc/93/99/30/590939930.db2.gz JLQSJKBUCRFJJY-GJZGRUSLSA-N 2 1 245.370 1.793 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880142968 590944756 /nfs/dbraw/zinc/94/47/56/590944756.db2.gz WYABWXQEBJVFQF-HZSPNIEDSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880142968 590944758 /nfs/dbraw/zinc/94/47/58/590944758.db2.gz WYABWXQEBJVFQF-HZSPNIEDSA-N 2 1 237.391 1.249 20 0 BDADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880142968 590944762 /nfs/dbraw/zinc/94/47/62/590944762.db2.gz WYABWXQEBJVFQF-HZSPNIEDSA-N 2 1 237.391 1.249 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C[C@@H]1CO ZINC000880489567 591065097 /nfs/dbraw/zinc/06/50/97/591065097.db2.gz VQNXGJFCGMEPOL-CYBMUJFWSA-N 2 1 235.331 1.204 20 0 BDADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C[C@@H]1CO ZINC000880489567 591065099 /nfs/dbraw/zinc/06/50/99/591065099.db2.gz VQNXGJFCGMEPOL-CYBMUJFWSA-N 2 1 235.331 1.204 20 0 BDADMP Cc1ncnc(NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000881802041 591271452 /nfs/dbraw/zinc/27/14/52/591271452.db2.gz UTBQNGKNHWALEH-GFCCVEGCSA-N 2 1 246.358 1.990 20 0 BDADMP COc1cc(C)[nH+]c(CN2CCC[C@H]([NH3+])C2)c1 ZINC000214018572 591528091 /nfs/dbraw/zinc/52/80/91/591528091.db2.gz RWKMSGTTZASNAT-NSHDSACASA-N 2 1 235.331 1.322 20 0 BDADMP Cn1cncc1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424664 591658665 /nfs/dbraw/zinc/65/86/65/591658665.db2.gz ZQMONEBWISPDPR-UHFFFAOYSA-N 2 1 248.374 1.038 20 0 BDADMP CC1(C)[C@H]([NH2+]CCCCCC[NH3+])C[C@@H]1N ZINC000883442571 591668902 /nfs/dbraw/zinc/66/89/02/591668902.db2.gz OLBJMQSJUJFJEV-WDEREUQCSA-N 2 1 213.369 1.221 20 0 BDADMP [NH3+]CC[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000216613727 592058656 /nfs/dbraw/zinc/05/86/56/592058656.db2.gz JTOHZEBWKOOZBW-ODTOEKCJSA-N 2 1 202.729 1.800 20 0 BDADMP Cc1[nH]nc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000885920989 592109092 /nfs/dbraw/zinc/10/90/92/592109092.db2.gz OSWSQFYUTBCRFH-GFCCVEGCSA-N 2 1 248.374 1.600 20 0 BDADMP Cc1[nH]nc(CNC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000885920989 592109094 /nfs/dbraw/zinc/10/90/94/592109094.db2.gz OSWSQFYUTBCRFH-GFCCVEGCSA-N 2 1 248.374 1.600 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000885920989 592109096 /nfs/dbraw/zinc/10/90/96/592109096.db2.gz OSWSQFYUTBCRFH-GFCCVEGCSA-N 2 1 248.374 1.600 20 0 BDADMP Cc1n[nH]c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000885920989 592109098 /nfs/dbraw/zinc/10/90/98/592109098.db2.gz OSWSQFYUTBCRFH-GFCCVEGCSA-N 2 1 248.374 1.600 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(OC)OC)C1 ZINC000136777865 592150573 /nfs/dbraw/zinc/15/05/73/592150573.db2.gz VOIZLZOKUHBUHA-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(OC)OC)C1 ZINC000136777865 592150575 /nfs/dbraw/zinc/15/05/75/592150575.db2.gz VOIZLZOKUHBUHA-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(OC)OC)C1 ZINC000136777865 592150577 /nfs/dbraw/zinc/15/05/77/592150577.db2.gz VOIZLZOKUHBUHA-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(OC)OC)C1 ZINC000136777865 592150578 /nfs/dbraw/zinc/15/05/78/592150578.db2.gz VOIZLZOKUHBUHA-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(OC)OC)C1 ZINC000136777865 592150580 /nfs/dbraw/zinc/15/05/80/592150580.db2.gz VOIZLZOKUHBUHA-LBPRGKRZSA-N 2 1 244.379 1.269 20 0 BDADMP Cc1[nH]c(C2CC[NH+](C[C@H](C)O)CC2)[nH+]c1C ZINC000886660640 592293135 /nfs/dbraw/zinc/29/31/35/592293135.db2.gz BRJLHYBRVGHJJN-VIFPVBQESA-N 2 1 237.347 1.587 20 0 BDADMP Cc1[nH]c(C2CC[NH+](CCO)CC2)[nH+]c1C ZINC000886665891 592296578 /nfs/dbraw/zinc/29/65/78/592296578.db2.gz JCUXNFUVEDMKPH-UHFFFAOYSA-N 2 1 223.320 1.198 20 0 BDADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819854 592345438 /nfs/dbraw/zinc/34/54/38/592345438.db2.gz YCGMYLVXWLMQRV-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819854 592345442 /nfs/dbraw/zinc/34/54/42/592345442.db2.gz YCGMYLVXWLMQRV-KGLIPLIRSA-N 2 1 249.358 1.692 20 0 BDADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827710 592350636 /nfs/dbraw/zinc/35/06/36/592350636.db2.gz QDPZCHJJXNODFX-BFHYXJOUSA-N 2 1 238.375 1.344 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886838551 592357773 /nfs/dbraw/zinc/35/77/73/592357773.db2.gz ZSYIKGDUPWBJKH-MELADBBJSA-N 2 1 238.375 1.616 20 0 BDADMP C(C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1)[C@@H]1CC[NH2+]C1 ZINC000886859949 592372345 /nfs/dbraw/zinc/37/23/45/592372345.db2.gz LNPSLCCICXHDMP-MJBXVCDLSA-N 2 1 238.375 1.487 20 0 BDADMP COCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867513 592374868 /nfs/dbraw/zinc/37/48/68/592374868.db2.gz GZQCHEINZCUZBU-LBPRGKRZSA-N 2 1 212.337 1.098 20 0 BDADMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NCC(F)F ZINC000887348827 592485649 /nfs/dbraw/zinc/48/56/49/592485649.db2.gz YTEDEZGSAHUGIG-VIFPVBQESA-N 2 1 248.321 1.240 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000300215101 592504590 /nfs/dbraw/zinc/50/45/90/592504590.db2.gz JJGLXWWJBRMXRZ-FIYWTHMPSA-N 2 1 224.348 1.380 20 0 BDADMP COC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000300215101 592504593 /nfs/dbraw/zinc/50/45/93/592504593.db2.gz JJGLXWWJBRMXRZ-FIYWTHMPSA-N 2 1 224.348 1.380 20 0 BDADMP C[C@H]1C[N@@H+](CCCCCCO)CC[C@H]1[NH3+] ZINC000300332481 592507046 /nfs/dbraw/zinc/50/70/46/592507046.db2.gz RWYDUPBVLPSSCA-NWDGAFQWSA-N 2 1 214.353 1.208 20 0 BDADMP [NH3+]C[C@H]([NH2+]CCSC(F)(F)F)C1CC1 ZINC001580228421 986671887 /nfs/dbraw/zinc/67/18/87/986671887.db2.gz APCHMXFSCZLPAE-ZETCQYMHSA-N 2 1 228.283 1.566 20 0 BDADMP N[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C12CCC2 ZINC000925705142 634386992 /nfs/dbraw/zinc/38/69/92/634386992.db2.gz HYQXUUQFIJNNKL-UPJWGTAASA-N 2 1 237.391 1.378 20 0 BDADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1(F)F ZINC000925707429 634396451 /nfs/dbraw/zinc/39/64/51/634396451.db2.gz JFKWZVYOEDMPHA-UWVGGRQHSA-N 2 1 230.302 1.906 20 0 BDADMP N[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])C12CCC2 ZINC000925714181 634419283 /nfs/dbraw/zinc/41/92/83/634419283.db2.gz WJEJSTRKPSSMAN-VXGBXAGGSA-N 2 1 225.380 1.365 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CO1 ZINC000925714450 634428233 /nfs/dbraw/zinc/42/82/33/634428233.db2.gz YTEGEGNMUFNZQK-WOPDTQHZSA-N 2 1 224.348 1.428 20 0 BDADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000093215224 634463561 /nfs/dbraw/zinc/46/35/61/634463561.db2.gz NBKANAZULQYDFC-HZSPNIEDSA-N 2 1 239.407 1.720 20 0 BDADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000253100453 634490549 /nfs/dbraw/zinc/49/05/49/634490549.db2.gz QCFIWQOXKNHPGH-ZOBORPQBSA-N 2 1 246.354 1.880 20 0 BDADMP C[C@@H](c1cccnc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000257750971 634492452 /nfs/dbraw/zinc/49/24/52/634492452.db2.gz UVSBBTGEYYVIHD-RYUDHWBXSA-N 2 1 219.332 1.813 20 0 BDADMP C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000257771704 634496735 /nfs/dbraw/zinc/49/67/35/634496735.db2.gz DAOVUABLGMWXHZ-CYBMUJFWSA-N 2 1 227.396 1.258 20 0 BDADMP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000313607586 634499044 /nfs/dbraw/zinc/49/90/44/634499044.db2.gz GVYHZQPEDCRLTQ-RBSFLKMASA-N 2 1 246.354 1.404 20 0 BDADMP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000313607586 634499048 /nfs/dbraw/zinc/49/90/48/634499048.db2.gz GVYHZQPEDCRLTQ-RBSFLKMASA-N 2 1 246.354 1.404 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000125566802 634556007 /nfs/dbraw/zinc/55/60/07/634556007.db2.gz CIBSWDOQCOZLCO-GFCCVEGCSA-N 2 1 247.342 1.296 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000925730338 634556501 /nfs/dbraw/zinc/55/65/01/634556501.db2.gz FENXEABNHOXQMS-UPJWGTAASA-N 2 1 240.391 1.922 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000162815280 634563158 /nfs/dbraw/zinc/56/31/58/634563158.db2.gz AFGZYFQAJDRWLK-NEPJUHHUSA-N 2 1 234.343 1.832 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000162815280 634563164 /nfs/dbraw/zinc/56/31/64/634563164.db2.gz AFGZYFQAJDRWLK-NEPJUHHUSA-N 2 1 234.343 1.832 20 0 BDADMP CC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1 ZINC000310114664 634566761 /nfs/dbraw/zinc/56/67/61/634566761.db2.gz GRFZBRNIWJILPW-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC000310114664 634566768 /nfs/dbraw/zinc/56/67/68/634566768.db2.gz GRFZBRNIWJILPW-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+][C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C1CC1 ZINC000423320710 634584445 /nfs/dbraw/zinc/58/44/45/634584445.db2.gz MMEQIYBKUZQJMZ-MNOVXSKESA-N 2 1 220.320 1.114 20 0 BDADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925774227 635233737 /nfs/dbraw/zinc/23/37/37/635233737.db2.gz LMWZHLLJFVNWNU-QJPTWQEYSA-N 2 1 212.337 1.143 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCC2 ZINC000925781918 635274492 /nfs/dbraw/zinc/27/44/92/635274492.db2.gz HPGICSLQGICUEI-LPWJVIDDSA-N 2 1 238.375 1.532 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)nn1C ZINC000925830497 635464595 /nfs/dbraw/zinc/46/45/95/635464595.db2.gz ABCQUDJSLOOWIO-LBPRGKRZSA-N 2 1 236.363 1.001 20 0 BDADMP COC1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CCCC1 ZINC000319191611 635500314 /nfs/dbraw/zinc/50/03/14/635500314.db2.gz OSIUJWBHIQQZHY-LBPRGKRZSA-N 2 1 226.364 1.616 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000232671996 635512863 /nfs/dbraw/zinc/51/28/63/635512863.db2.gz UZTQPNUKBHUDPH-STQMWFEESA-N 2 1 228.380 1.576 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCCCCO ZINC000234392738 635554027 /nfs/dbraw/zinc/55/40/27/635554027.db2.gz PCXIPHHJEDZWTL-CYBMUJFWSA-N 2 1 228.380 1.613 20 0 BDADMP C[NH2+]C[C@H]1CCCC[N@H+]1CCCCCCO ZINC000234392738 635554034 /nfs/dbraw/zinc/55/40/34/635554034.db2.gz PCXIPHHJEDZWTL-CYBMUJFWSA-N 2 1 228.380 1.613 20 0 BDADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCO ZINC000308541603 631330445 /nfs/dbraw/zinc/33/04/45/631330445.db2.gz URLXJFUSXHAQCZ-QWRGUYRKSA-N 2 1 202.342 1.076 20 0 BDADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCO ZINC000308541603 631330453 /nfs/dbraw/zinc/33/04/53/631330453.db2.gz URLXJFUSXHAQCZ-QWRGUYRKSA-N 2 1 202.342 1.076 20 0 BDADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)O ZINC000083726834 631428596 /nfs/dbraw/zinc/42/85/96/631428596.db2.gz NMDUMYDKNDDMEU-JTQLQIEISA-N 2 1 226.364 1.362 20 0 BDADMP OC[C@H]1CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000934021095 631620857 /nfs/dbraw/zinc/62/08/57/631620857.db2.gz CZPAWPQSEKVBHW-CQSZACIVSA-N 2 1 243.310 1.439 20 0 BDADMP CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309060208 631834754 /nfs/dbraw/zinc/83/47/54/631834754.db2.gz YEBYONLSHZEQHI-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000309060208 631834757 /nfs/dbraw/zinc/83/47/57/631834757.db2.gz YEBYONLSHZEQHI-STQMWFEESA-N 2 1 226.364 1.318 20 0 BDADMP CC[C@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919054 632013218 /nfs/dbraw/zinc/01/32/18/632013218.db2.gz UPYOKBKEEKUOLW-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000250605693 635700174 /nfs/dbraw/zinc/70/01/74/635700174.db2.gz LEPJDCJKGYXEEW-FRRDWIJNSA-N 2 1 226.364 1.485 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000257688924 635746692 /nfs/dbraw/zinc/74/66/92/635746692.db2.gz MXJHOSDTBDVFLY-UHFFFAOYSA-N 2 1 249.358 1.867 20 0 BDADMP C[C@@H]1CN(c2cc[nH+]cc2CO)C[C@H](C)[N@@H+]1C ZINC000128067110 632403217 /nfs/dbraw/zinc/40/32/17/632403217.db2.gz KGAKOHMKWIAEMH-PHIMTYICSA-N 2 1 235.331 1.103 20 0 BDADMP C1=CC[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000309480875 632417180 /nfs/dbraw/zinc/41/71/80/632417180.db2.gz DNQKWBUHGTVVNQ-MCIONIFRSA-N 2 1 220.360 1.884 20 0 BDADMP CC(C)[N@@H+](C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250491695 632541056 /nfs/dbraw/zinc/54/10/56/632541056.db2.gz HEMRIYBLRMTAMZ-QWHCGFSZSA-N 2 1 227.396 1.434 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000235323531 632668638 /nfs/dbraw/zinc/66/86/38/632668638.db2.gz MYLUIQFYIVDTAN-NDBYEHHHSA-N 2 1 210.365 1.962 20 0 BDADMP C[C@H]1CC[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000310515375 632752515 /nfs/dbraw/zinc/75/25/15/632752515.db2.gz MHFGBSBXLNULJG-STQMWFEESA-N 2 1 238.375 1.629 20 0 BDADMP CCNC(NCC[N@H+]1CCCC[C@H]1C)=[NH+]CC ZINC000066243423 632860930 /nfs/dbraw/zinc/86/09/30/632860930.db2.gz VTYXDWTWAPZZPT-GFCCVEGCSA-N 2 1 240.395 1.436 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccnnc1 ZINC000926753742 632979985 /nfs/dbraw/zinc/97/99/85/632979985.db2.gz IXHTXGMLXVPWNM-OLZOCXBDSA-N 2 1 248.374 1.859 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccnnc1 ZINC000926753742 632979989 /nfs/dbraw/zinc/97/99/89/632979989.db2.gz IXHTXGMLXVPWNM-OLZOCXBDSA-N 2 1 248.374 1.859 20 0 BDADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCOC1 ZINC000249984372 633014298 /nfs/dbraw/zinc/01/42/98/633014298.db2.gz LXRAYOBCOLJKFC-UONOGXRCSA-N 2 1 240.391 1.735 20 0 BDADMP C([C@H]1CCCCO1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309420313 633044191 /nfs/dbraw/zinc/04/41/91/633044191.db2.gz WPPFARPVLVDDGL-YNEHKIRRSA-N 2 1 224.348 1.097 20 0 BDADMP C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000167561024 633130756 /nfs/dbraw/zinc/13/07/56/633130756.db2.gz CBTMESAILZACTP-RDBSUJKOSA-N 2 1 237.391 1.155 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000311725593 633159869 /nfs/dbraw/zinc/15/98/69/633159869.db2.gz ZSHFMQAJJXDZBY-JTQLQIEISA-N 2 1 209.293 1.072 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000311725593 633159880 /nfs/dbraw/zinc/15/98/80/633159880.db2.gz ZSHFMQAJJXDZBY-JTQLQIEISA-N 2 1 209.293 1.072 20 0 BDADMP CC[NH+](CC)[C@H]1CCN(c2nc(N)cc(C)[nH+]2)C1 ZINC000892731102 633205106 /nfs/dbraw/zinc/20/51/06/633205106.db2.gz VJXDXWNAGJPBDX-NSHDSACASA-N 2 1 249.362 1.288 20 0 BDADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000925539269 633948004 /nfs/dbraw/zinc/94/80/04/633948004.db2.gz APOOSDHSQNSQPH-SDDRHHMPSA-N 2 1 238.375 1.674 20 0 BDADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(OC)C1 ZINC000309942822 633966968 /nfs/dbraw/zinc/96/69/68/633966968.db2.gz CFPRPWRPDNZKJC-CPCZMJQVSA-N 2 1 226.364 1.628 20 0 BDADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(OC)C1 ZINC000309942822 633966972 /nfs/dbraw/zinc/96/69/72/633966972.db2.gz CFPRPWRPDNZKJC-CPCZMJQVSA-N 2 1 226.364 1.628 20 0 BDADMP CCCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309983041 634024542 /nfs/dbraw/zinc/02/45/42/634024542.db2.gz POFLFVSQWZMUFE-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CCCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309983041 634024549 /nfs/dbraw/zinc/02/45/49/634024549.db2.gz POFLFVSQWZMUFE-AWEZNQCLSA-N 2 1 240.391 1.708 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309982912 634025714 /nfs/dbraw/zinc/02/57/14/634025714.db2.gz DLYHBDMPNPNMSB-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000309982912 634025720 /nfs/dbraw/zinc/02/57/20/634025720.db2.gz DLYHBDMPNPNMSB-MGPQQGTHSA-N 2 1 240.391 1.564 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000310039928 634064652 /nfs/dbraw/zinc/06/46/52/634064652.db2.gz XKUWHMBOVVVNDC-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP CCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000310039928 634064659 /nfs/dbraw/zinc/06/46/59/634064659.db2.gz XKUWHMBOVVVNDC-STQMWFEESA-N 2 1 228.380 1.611 20 0 BDADMP CCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925611128 634150972 /nfs/dbraw/zinc/15/09/72/634150972.db2.gz KLLFSVNVZMWUOO-STQMWFEESA-N 2 1 240.391 1.802 20 0 BDADMP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925643366 634196583 /nfs/dbraw/zinc/19/65/83/634196583.db2.gz IIPSYHKMYVMETR-SRVKXCTJSA-N 2 1 224.348 1.164 20 0 BDADMP C1=CC[N@@H+](CCN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925662460 634229216 /nfs/dbraw/zinc/22/92/16/634229216.db2.gz ILXMPYACESMOGE-CYBMUJFWSA-N 2 1 235.375 1.123 20 0 BDADMP OC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925677298 634268274 /nfs/dbraw/zinc/26/82/74/634268274.db2.gz SIZUXVDZQQNPGA-CHWSQXEVSA-N 2 1 238.375 1.412 20 0 BDADMP CCc1noc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925678849 634274895 /nfs/dbraw/zinc/27/48/95/634274895.db2.gz XOVLUOKNWMYLJR-STQMWFEESA-N 2 1 249.358 1.905 20 0 BDADMP CC[C@H](C)[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925678977 634275863 /nfs/dbraw/zinc/27/58/63/634275863.db2.gz GUDSOHPALVBXGD-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP CC1(C)C[C@@H](N[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC000925690773 634314239 /nfs/dbraw/zinc/31/42/39/634314239.db2.gz HDXQCYJJLXPRBP-FVCCEPFGSA-N 2 1 239.407 1.609 20 0 BDADMP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)[NH2+]2 ZINC000925693260 634328257 /nfs/dbraw/zinc/32/82/57/634328257.db2.gz QWGRMAMMBJBRNT-KIAYKNLVSA-N 3 1 249.402 1.388 20 0 BDADMP [NH3+]CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694363 634337018 /nfs/dbraw/zinc/33/70/18/634337018.db2.gz TXIGAAUBAKJCND-CHWSQXEVSA-N 3 1 225.380 1.093 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)O1 ZINC000925695986 634352482 /nfs/dbraw/zinc/35/24/82/634352482.db2.gz RZYKTUFPXCGKQU-GMTAPVOTSA-N 2 1 212.337 1.284 20 0 BDADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)O1 ZINC000925695989 634352858 /nfs/dbraw/zinc/35/28/58/634352858.db2.gz RZYKTUFPXCGKQU-MXWKQRLJSA-N 2 1 212.337 1.284 20 0 BDADMP Cc1cc(N)nc(NCC2([NH+](C)C)CCC2)[nH+]1 ZINC000893375947 634365176 /nfs/dbraw/zinc/36/51/76/634365176.db2.gz CHNNYCPHFVRQEU-UHFFFAOYSA-N 2 1 235.335 1.263 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925700326 634368915 /nfs/dbraw/zinc/36/89/15/634368915.db2.gz RURFPPLQABIQKQ-NEPJUHHUSA-N 3 1 225.380 1.106 20 0 BDADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925701375 634374819 /nfs/dbraw/zinc/37/48/19/634374819.db2.gz YMESMUYICXQFAI-LPWJVIDDSA-N 3 1 239.407 1.480 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925771654 635209400 /nfs/dbraw/zinc/20/94/00/635209400.db2.gz COZMYDIXAZNZCS-NEPJUHHUSA-N 2 1 238.375 1.676 20 0 BDADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)(C)CO ZINC000925010643 635846744 /nfs/dbraw/zinc/84/67/44/635846744.db2.gz NAQSVJFUZHJSJK-VXGBXAGGSA-N 2 1 228.380 1.325 20 0 BDADMP CCC[N@H+](CC)CC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000925204674 636383053 /nfs/dbraw/zinc/38/30/53/636383053.db2.gz NGKWPFKYYDDKDN-CHWSQXEVSA-N 2 1 242.407 1.979 20 0 BDADMP CCC[N@@H+](CC)CC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000925204674 636383057 /nfs/dbraw/zinc/38/30/57/636383057.db2.gz NGKWPFKYYDDKDN-CHWSQXEVSA-N 2 1 242.407 1.979 20 0 BDADMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1ccccc1 ZINC000310977775 636748722 /nfs/dbraw/zinc/74/87/22/636748722.db2.gz XFTDJVZWTUARPU-UHFFFAOYSA-N 2 1 243.314 1.828 20 0 BDADMP CC(C)[N@H+]1CCC[C@H]1C(=O)OCCC[NH+](C)C ZINC000923887991 636961289 /nfs/dbraw/zinc/96/12/89/636961289.db2.gz KDUBVCRGFVGXHS-LBPRGKRZSA-N 2 1 242.363 1.354 20 0 BDADMP CCC[C@@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926966531 636977524 /nfs/dbraw/zinc/97/75/24/636977524.db2.gz XJGDBBDRAWLECC-NEPJUHHUSA-N 2 1 216.369 1.731 20 0 BDADMP C[N@H+](CCC[NH2+]C1CC1)C[C@@H]1CCCCO1 ZINC000042465489 637269488 /nfs/dbraw/zinc/26/94/88/637269488.db2.gz RWDXQWCSYVKPKL-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP C[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1CCCCO1 ZINC000042465489 637269494 /nfs/dbraw/zinc/26/94/94/637269494.db2.gz RWDXQWCSYVKPKL-ZDUSSCGKSA-N 2 1 226.364 1.629 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1CCO ZINC000903463436 637365162 /nfs/dbraw/zinc/36/51/62/637365162.db2.gz AZGHXYCAXUSNMU-MQYQWHSLSA-N 2 1 240.391 1.597 20 0 BDADMP CCO[C@@H](C[N@@H+]1CCCC[C@H]1C[NH2+]C)C1CC1 ZINC000903529078 637367440 /nfs/dbraw/zinc/36/74/40/637367440.db2.gz HAIHMHQRKYNOJV-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP CCO[C@@H](C[N@H+]1CCCC[C@H]1C[NH2+]C)C1CC1 ZINC000903529078 637367442 /nfs/dbraw/zinc/36/74/42/637367442.db2.gz HAIHMHQRKYNOJV-KBPBESRZSA-N 2 1 240.391 1.875 20 0 BDADMP C[NH2+]CCC[N@H+]1CCC[C@H]1COC(C)(C)C ZINC000903565451 637371767 /nfs/dbraw/zinc/37/17/67/637371767.db2.gz LHKIKUVJFQKIFW-LBPRGKRZSA-N 2 1 228.380 1.875 20 0 BDADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722253 637378396 /nfs/dbraw/zinc/37/83/96/637378396.db2.gz JQIMQDAYDAXIOC-MELADBBJSA-N 2 1 240.391 1.731 20 0 BDADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721990 637379662 /nfs/dbraw/zinc/37/96/62/637379662.db2.gz GSVIWTRPJXXNNY-RDBSUJKOSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903788522 637381799 /nfs/dbraw/zinc/38/17/99/637381799.db2.gz NDAUIGLYJGPBAC-CHWSQXEVSA-N 3 1 225.380 1.047 20 0 BDADMP Cc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000903788208 637381971 /nfs/dbraw/zinc/38/19/71/637381971.db2.gz FWYBQQFDQBGQAD-NWDGAFQWSA-N 2 1 234.347 1.202 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000904428942 637399070 /nfs/dbraw/zinc/39/90/70/637399070.db2.gz RQAGYPXMKSPNBS-XQQFMLRXSA-N 2 1 226.364 1.485 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904430655 637399735 /nfs/dbraw/zinc/39/97/35/637399735.db2.gz RZLSCPVKIMEYKW-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP COCC(C)(C)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904430655 637399731 /nfs/dbraw/zinc/39/97/31/637399731.db2.gz RZLSCPVKIMEYKW-AWEZNQCLSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cncc(O)c1 ZINC000904432816 637400101 /nfs/dbraw/zinc/40/01/01/637400101.db2.gz GQYCOGFZXTXVOK-ZYHUDNBSSA-N 2 1 235.331 1.407 20 0 BDADMP CCc1onc(C)c1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000904434842 637402159 /nfs/dbraw/zinc/40/21/59/637402159.db2.gz ZANRCGDITWSOGM-CYBMUJFWSA-N 2 1 237.347 1.635 20 0 BDADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000904462137 637406493 /nfs/dbraw/zinc/40/64/93/637406493.db2.gz NNTSUUDMCGGNRG-CQSZACIVSA-N 2 1 230.355 1.741 20 0 BDADMP [NH3+]C1(C[NH2+]Cc2cncc3ccccc32)CC1 ZINC000904451240 637417618 /nfs/dbraw/zinc/41/76/18/637417618.db2.gz WKZIDOGZYNKDOO-UHFFFAOYSA-N 2 1 227.311 1.816 20 0 BDADMP C[C@]1(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)CC[NH2+]C1 ZINC000904474325 637425800 /nfs/dbraw/zinc/42/58/00/637425800.db2.gz DLVCMTWSLIAYOA-AGIUHOORSA-N 2 1 240.416 1.671 20 0 BDADMP Cc1[nH+]c(N)ccc1-c1cnn(CC[NH+](C)C)c1 ZINC000904767734 637476524 /nfs/dbraw/zinc/47/65/24/637476524.db2.gz BNFDDOWAAJJOLO-UHFFFAOYSA-N 2 1 245.330 1.397 20 0 BDADMP C[C@@H](C[NH3+])n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905056712 637589240 /nfs/dbraw/zinc/58/92/40/637589240.db2.gz DMKWPHDCPLKABA-VIFPVBQESA-N 2 1 225.340 1.028 20 0 BDADMP C[C@](O)(C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(F)F ZINC000905058432 637593072 /nfs/dbraw/zinc/59/30/72/637593072.db2.gz GPHXDACETQVGPX-CABZTGNLSA-N 2 1 248.317 1.076 20 0 BDADMP [NH3+]C1(c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)CC1 ZINC000905314366 637740822 /nfs/dbraw/zinc/74/08/22/637740822.db2.gz HNXAEGWZZSMUHM-PBINXNQUSA-N 2 1 248.330 1.091 20 0 BDADMP [NH3+]C1(c2noc(-c3ccc4c(c3)C[NH2+]C4)n2)CC1 ZINC000905315449 637742962 /nfs/dbraw/zinc/74/29/62/637742962.db2.gz TZOCRACVQBANEB-UHFFFAOYSA-N 2 1 242.282 1.288 20 0 BDADMP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278872 640128226 /nfs/dbraw/zinc/12/82/26/640128226.db2.gz PWZJRMPKNRCABH-YIOGRSOZSA-N 2 1 208.349 1.835 20 0 BDADMP CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278872 640128228 /nfs/dbraw/zinc/12/82/28/640128228.db2.gz PWZJRMPKNRCABH-YIOGRSOZSA-N 2 1 208.349 1.835 20 0 BDADMP C[NH+]1C[C@]2(C)C[NH+](CCCF)C[C@@]2(C)C1 ZINC000931311775 640145591 /nfs/dbraw/zinc/14/55/91/640145591.db2.gz STKJEKCBKLCWDA-VXGBXAGGSA-N 2 1 214.328 1.620 20 0 BDADMP C[NH+](C)C1(C)CC[NH+](CCn2ccnc2)CC1 ZINC000931355338 640166622 /nfs/dbraw/zinc/16/66/22/640166622.db2.gz QTQOIVCEERQJGJ-UHFFFAOYSA-N 2 1 236.363 1.299 20 0 BDADMP CSCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350037 640168649 /nfs/dbraw/zinc/16/86/49/640168649.db2.gz QLJICIDRKBCDDS-UHFFFAOYSA-N 2 1 216.394 1.766 20 0 BDADMP COC[C@@H](C[NH+]1CCC(C)([NH+](C)C)CC1)OC ZINC000931356249 640170016 /nfs/dbraw/zinc/17/00/16/640170016.db2.gz TXAXFOYZXYLPSI-GFCCVEGCSA-N 2 1 244.379 1.064 20 0 BDADMP C[N@H+]1CC[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2C1 ZINC000931428954 640197627 /nfs/dbraw/zinc/19/76/27/640197627.db2.gz DNNGIODMDBIPCW-ADAMHKFESA-N 2 1 214.740 1.622 20 0 BDADMP CO[C@H]1CC[C@H]([N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518227 640246106 /nfs/dbraw/zinc/24/61/06/640246106.db2.gz OCVBHYFNRZBFQA-QWRGUYRKSA-N 2 1 247.342 1.589 20 0 BDADMP CO[C@H]1CC[C@H]([N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931518227 640246111 /nfs/dbraw/zinc/24/61/11/640246111.db2.gz OCVBHYFNRZBFQA-QWRGUYRKSA-N 2 1 247.342 1.589 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517149 640246499 /nfs/dbraw/zinc/24/64/99/640246499.db2.gz TVWFSYIACRTMTG-GHMZBOCLSA-N 2 1 247.342 1.447 20 0 BDADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517149 640246504 /nfs/dbraw/zinc/24/65/04/640246504.db2.gz TVWFSYIACRTMTG-GHMZBOCLSA-N 2 1 247.342 1.447 20 0 BDADMP C[C@H](C1CC1)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931717684 640335715 /nfs/dbraw/zinc/33/57/15/640335715.db2.gz AEMPUVKZSHCTMP-RTXFEEFZSA-N 2 1 208.349 1.953 20 0 BDADMP COC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720630 640341088 /nfs/dbraw/zinc/34/10/88/640341088.db2.gz UMTPLAABYMCBKT-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP COC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720630 640341093 /nfs/dbraw/zinc/34/10/93/640341093.db2.gz UMTPLAABYMCBKT-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP COC(C)(C)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931720630 640341098 /nfs/dbraw/zinc/34/10/98/640341098.db2.gz UMTPLAABYMCBKT-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP COC(C)(C)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720630 640341105 /nfs/dbraw/zinc/34/11/05/640341105.db2.gz UMTPLAABYMCBKT-OLZOCXBDSA-N 2 1 240.391 1.970 20 0 BDADMP CC[C@@H](CO)[NH2+]CCCCn1cc[nH+]c1C ZINC000931773793 640366990 /nfs/dbraw/zinc/36/69/90/640366990.db2.gz UNZSXFQITWITBC-LBPRGKRZSA-N 2 1 225.336 1.332 20 0 BDADMP Cn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000055144528 640439024 /nfs/dbraw/zinc/43/90/24/640439024.db2.gz MKEDXMBOIADETH-UHFFFAOYSA-N 2 1 222.336 1.122 20 0 BDADMP C[N@@H+](C[C@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000055144512 640439305 /nfs/dbraw/zinc/43/93/05/640439305.db2.gz OVNYSXASBLRYHL-WXRRBKDZSA-N 2 1 226.364 1.757 20 0 BDADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](C)CC1 ZINC000932339792 640484413 /nfs/dbraw/zinc/48/44/13/640484413.db2.gz BIMOEUZIBPWIAK-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](C)CC1 ZINC000932339792 640484421 /nfs/dbraw/zinc/48/44/21/640484421.db2.gz BIMOEUZIBPWIAK-LBPRGKRZSA-N 2 1 237.347 1.692 20 0 BDADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000932346142 640488386 /nfs/dbraw/zinc/48/83/86/640488386.db2.gz FUKJKCGCHIXKHW-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000932346142 640488389 /nfs/dbraw/zinc/48/83/89/640488389.db2.gz FUKJKCGCHIXKHW-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000932346142 640488394 /nfs/dbraw/zinc/48/83/94/640488394.db2.gz FUKJKCGCHIXKHW-CHWSQXEVSA-N 2 1 226.364 1.582 20 0 BDADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000224882301 640645554 /nfs/dbraw/zinc/64/55/54/640645554.db2.gz IAMRDIPSTPLJLD-NWANDNLSSA-N 2 1 248.370 1.779 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000166660414 640663066 /nfs/dbraw/zinc/66/30/66/640663066.db2.gz LYYYDMNFKNIOPD-JTQLQIEISA-N 2 1 225.361 1.846 20 0 BDADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000166660414 640663069 /nfs/dbraw/zinc/66/30/69/640663069.db2.gz LYYYDMNFKNIOPD-JTQLQIEISA-N 2 1 225.361 1.846 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000933746047 640761901 /nfs/dbraw/zinc/76/19/01/640761901.db2.gz SVZBELWDZYCJOB-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000933746047 640761904 /nfs/dbraw/zinc/76/19/04/640761904.db2.gz SVZBELWDZYCJOB-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@]2(C)C1 ZINC000933746047 640761905 /nfs/dbraw/zinc/76/19/05/640761905.db2.gz SVZBELWDZYCJOB-AGIUHOORSA-N 2 1 224.348 1.049 20 0 BDADMP CC[N@@H+](CCc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000226439469 640765674 /nfs/dbraw/zinc/76/56/74/640765674.db2.gz KAJQTKWVTWDPCL-AWEZNQCLSA-N 2 1 247.386 1.946 20 0 BDADMP C=C/C=C/CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000713735586 711494462 /nfs/dbraw/zinc/49/44/62/711494462.db2.gz PRGDNEPXVZCERM-HNFMAKEJSA-N 2 1 206.333 1.803 20 0 BDADMP CCOCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767174 640848105 /nfs/dbraw/zinc/84/81/05/640848105.db2.gz WCFZFUMNLKKCJT-RYUDHWBXSA-N 2 1 214.353 1.330 20 0 BDADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]21 ZINC000228535826 640880256 /nfs/dbraw/zinc/88/02/56/640880256.db2.gz SSFLHKJCCXDLLQ-MVWJERBFSA-N 2 1 237.372 1.702 20 0 BDADMP Cn1ccnc1C[N@H+](C)CCCCCCC[NH3+] ZINC000062321931 641037273 /nfs/dbraw/zinc/03/72/73/641037273.db2.gz QJVOKDSLDGOLSS-UHFFFAOYSA-N 2 1 238.379 1.761 20 0 BDADMP Cn1ccnc1C[N@@H+](C)CCCCCCC[NH3+] ZINC000062321931 641037277 /nfs/dbraw/zinc/03/72/77/641037277.db2.gz QJVOKDSLDGOLSS-UHFFFAOYSA-N 2 1 238.379 1.761 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@H+](C)CCCn1cc[nH+]c1C ZINC000934113844 641076662 /nfs/dbraw/zinc/07/66/62/641076662.db2.gz CVBMAXTYYUTNND-CHWSQXEVSA-N 2 1 237.347 1.691 20 0 BDADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCCn1cc[nH+]c1C ZINC000934113844 641076664 /nfs/dbraw/zinc/07/66/64/641076664.db2.gz CVBMAXTYYUTNND-CHWSQXEVSA-N 2 1 237.347 1.691 20 0 BDADMP COC(=O)[C@@H](C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121065 641134428 /nfs/dbraw/zinc/13/44/28/641134428.db2.gz PNHMSFACWKJNIA-NSHDSACASA-N 2 1 242.363 1.069 20 0 BDADMP C[C@@H](O)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121494 641134552 /nfs/dbraw/zinc/13/45/52/641134552.db2.gz ZDUATKPSYMDPAM-LLVKDONJSA-N 2 1 214.353 1.031 20 0 BDADMP O[C@H](CC1CCCC1)C[N@@H+]1CCC[NH2+]CC1 ZINC000232121460 641241452 /nfs/dbraw/zinc/24/14/52/641241452.db2.gz PAPJDRQQVUSUTP-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[NH2+]CC1 ZINC000232121460 641241463 /nfs/dbraw/zinc/24/14/63/641241463.db2.gz PAPJDRQQVUSUTP-CYBMUJFWSA-N 2 1 226.364 1.223 20 0 BDADMP C([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1CCCOC1 ZINC000232450088 641272515 /nfs/dbraw/zinc/27/25/15/641272515.db2.gz PFCIOJIGUTVZLG-RYUDHWBXSA-N 2 1 212.337 1.145 20 0 BDADMP CC(C)COCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000232671257 641338991 /nfs/dbraw/zinc/33/89/91/641338991.db2.gz ODQIBPBVVCZBJQ-OLZOCXBDSA-N 2 1 228.380 1.576 20 0 BDADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000232700322 641362332 /nfs/dbraw/zinc/36/23/32/641362332.db2.gz BIGBWHGAFMVYTE-UPJWGTAASA-N 2 1 210.365 1.820 20 0 BDADMP C[N@H+](Cc1cnc[nH]1)CC1CC[NH+](C)CC1 ZINC000093088912 641583636 /nfs/dbraw/zinc/58/36/36/641583636.db2.gz ZMAGATUJBQRLNZ-UHFFFAOYSA-N 2 1 222.336 1.183 20 0 BDADMP C[N@@H+](Cc1c[nH]cn1)CC1CC[NH+](C)CC1 ZINC000093088912 641583640 /nfs/dbraw/zinc/58/36/40/641583640.db2.gz ZMAGATUJBQRLNZ-UHFFFAOYSA-N 2 1 222.336 1.183 20 0 BDADMP C[N@H+](Cc1c[nH]cn1)CC1CC[NH+](C)CC1 ZINC000093088912 641583646 /nfs/dbraw/zinc/58/36/46/641583646.db2.gz ZMAGATUJBQRLNZ-UHFFFAOYSA-N 2 1 222.336 1.183 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(C)OCCCO2)CCN1C ZINC000190648113 641878234 /nfs/dbraw/zinc/87/82/34/641878234.db2.gz CQFQQQRXKYFCSN-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(C)OCCCO2)CC[N@@H+]1C ZINC000190648113 641878239 /nfs/dbraw/zinc/87/82/39/641878239.db2.gz CQFQQQRXKYFCSN-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]CC2(C)OCCCO2)CC[N@H+]1C ZINC000190648113 641878240 /nfs/dbraw/zinc/87/82/40/641878240.db2.gz CQFQQQRXKYFCSN-RYUDHWBXSA-N 2 1 242.363 1.212 20 0 BDADMP C[N@@H+]1CCC[C@@H]1CSC[C@@H]1C[NH+](C)CCO1 ZINC000917909093 642140703 /nfs/dbraw/zinc/14/07/03/642140703.db2.gz GMGQRQIWFMENST-NEPJUHHUSA-N 2 1 244.404 1.144 20 0 BDADMP C[N@H+]1CCC[C@@H]1CSC[C@@H]1C[NH+](C)CCO1 ZINC000917909093 642140708 /nfs/dbraw/zinc/14/07/08/642140708.db2.gz GMGQRQIWFMENST-NEPJUHHUSA-N 2 1 244.404 1.144 20 0 BDADMP C[NH+]1CCC[C@@H]1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000917909093 642140716 /nfs/dbraw/zinc/14/07/16/642140716.db2.gz GMGQRQIWFMENST-NEPJUHHUSA-N 2 1 244.404 1.144 20 0 BDADMP C[NH+]1CCC[C@@H]1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000917909093 642140723 /nfs/dbraw/zinc/14/07/23/642140723.db2.gz GMGQRQIWFMENST-NEPJUHHUSA-N 2 1 244.404 1.144 20 0 BDADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000233093873 642650758 /nfs/dbraw/zinc/65/07/58/642650758.db2.gz KKKNUAVEIDGQHF-VXGBXAGGSA-N 2 1 228.380 1.779 20 0 BDADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000233518659 642674393 /nfs/dbraw/zinc/67/43/93/642674393.db2.gz XCISFHWJHCIZCK-MNOVXSKESA-N 2 1 214.353 1.389 20 0 BDADMP COCCCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000130930853 642894878 /nfs/dbraw/zinc/89/48/78/642894878.db2.gz DDGNSIMMAZUSSF-NWDGAFQWSA-N 2 1 214.353 1.330 20 0 BDADMP C[C@@H]1C[NH+](CCC[NH2+]C2CC2)C[C@@H](C)S1 ZINC000069909095 642933084 /nfs/dbraw/zinc/93/30/84/642933084.db2.gz NIIIGSBFCMBYNK-GHMZBOCLSA-N 2 1 228.405 1.954 20 0 BDADMP Cn1cc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000334252635 643273800 /nfs/dbraw/zinc/27/38/00/643273800.db2.gz LJBNCZQDJPZMDY-AWEZNQCLSA-N 2 1 248.374 1.038 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000306999878 643382056 /nfs/dbraw/zinc/38/20/56/643382056.db2.gz ABNLTJMCCOHVHZ-AXFHLTTASA-N 2 1 214.378 1.612 20 0 BDADMP Cc1cccc2c1CC[N@@H+](CCC[NH3+])C2 ZINC000082790875 643382570 /nfs/dbraw/zinc/38/25/70/643382570.db2.gz PHGGDUWOTCWZLT-UHFFFAOYSA-N 2 1 204.317 1.702 20 0 BDADMP C[C@H]1SCC[C@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000307508048 643489643 /nfs/dbraw/zinc/48/96/43/643489643.db2.gz ANTOKTNSQLIPMF-ZRUFSTJUSA-N 2 1 214.378 1.611 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CS1 ZINC000307528167 643497743 /nfs/dbraw/zinc/49/77/43/643497743.db2.gz KTVNYEZXRDKEPU-CHWFTXMASA-N 2 1 214.378 1.611 20 0 BDADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH3+])C12CCCCC2 ZINC000083532413 643585603 /nfs/dbraw/zinc/58/56/03/643585603.db2.gz LGBVAXGNERNNQC-NEPJUHHUSA-N 2 1 226.364 1.663 20 0 BDADMP CC[N@H+]1CCCN(c2cc[nH+]cc2CO)CC1 ZINC000307768904 643644744 /nfs/dbraw/zinc/64/47/44/643644744.db2.gz DPNQIOZPPIWDTR-UHFFFAOYSA-N 2 1 235.331 1.106 20 0 BDADMP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N(C)C ZINC000084216336 643651008 /nfs/dbraw/zinc/65/10/08/643651008.db2.gz QOVAJCCYEFRQNU-UTUOFQBUSA-N 2 1 213.369 1.044 20 0 BDADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000050245432 643660503 /nfs/dbraw/zinc/66/05/03/643660503.db2.gz YAXJHHRBAOYHOL-GFCCVEGCSA-N 2 1 248.326 1.238 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000050245432 643660505 /nfs/dbraw/zinc/66/05/05/643660505.db2.gz YAXJHHRBAOYHOL-GFCCVEGCSA-N 2 1 248.326 1.238 20 0 BDADMP C1=CO[C@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000050269143 643673708 /nfs/dbraw/zinc/67/37/08/643673708.db2.gz IZELUJRURDIXCP-OCCSQVGLSA-N 2 1 236.359 1.753 20 0 BDADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCO1 ZINC000085015123 643678706 /nfs/dbraw/zinc/67/87/06/643678706.db2.gz RIPSMSLPXUPCCK-AGIUHOORSA-N 2 1 226.364 1.615 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000085015781 643679363 /nfs/dbraw/zinc/67/93/63/643679363.db2.gz AQDORIHVMQGPNZ-UTUOFQBUSA-N 2 1 212.337 1.225 20 0 BDADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1C)C[NH+](C)C ZINC000922757261 644087496 /nfs/dbraw/zinc/08/74/96/644087496.db2.gz DAFZHXHUCYVMHN-JHJVBQTASA-N 2 1 228.380 1.731 20 0 BDADMP CCO[C@H](C[NH2+][C@H](C)CC(C)C)C[NH+](C)C ZINC000922756529 644088039 /nfs/dbraw/zinc/08/80/39/644088039.db2.gz KQUMLILCHKTLRE-CHWSQXEVSA-N 2 1 230.396 1.977 20 0 BDADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC=CO1 ZINC000193880029 644285218 /nfs/dbraw/zinc/28/52/18/644285218.db2.gz HMXUHRVALVDHPH-CQSZACIVSA-N 2 1 238.375 1.953 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000923281728 644313890 /nfs/dbraw/zinc/31/38/90/644313890.db2.gz ROZCHHSNIZDBPV-DZGCQCFKSA-N 2 1 248.370 1.699 20 0 BDADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000923280908 644314876 /nfs/dbraw/zinc/31/48/76/644314876.db2.gz JTCQATBAZRIOBN-VXGBXAGGSA-N 2 1 214.353 1.064 20 0 BDADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000923281730 644314981 /nfs/dbraw/zinc/31/49/81/644314981.db2.gz ROZCHHSNIZDBPV-UKRRQHHQSA-N 2 1 248.370 1.699 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923287230 644320942 /nfs/dbraw/zinc/32/09/42/644320942.db2.gz CKRAFBKNUVTQJI-RYUDHWBXSA-N 3 1 225.380 1.188 20 0 BDADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923287230 644320944 /nfs/dbraw/zinc/32/09/44/644320944.db2.gz CKRAFBKNUVTQJI-RYUDHWBXSA-N 3 1 225.380 1.188 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923293837 644330495 /nfs/dbraw/zinc/33/04/95/644330495.db2.gz CUERWDDPIZLBIO-JXQTWKCFSA-N 2 1 242.407 1.985 20 0 BDADMP CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923297933 644335021 /nfs/dbraw/zinc/33/50/21/644335021.db2.gz POVJTMKHMWXTSH-KKUMJFAQSA-N 2 1 248.370 1.749 20 0 BDADMP CSC[C@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923298008 644336226 /nfs/dbraw/zinc/33/62/26/644336226.db2.gz QUJBUBJLUCCOFM-GHMZBOCLSA-N 2 1 234.409 1.016 20 0 BDADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304226 644340945 /nfs/dbraw/zinc/34/09/45/644340945.db2.gz PMRPFURAGVPUGJ-OLZOCXBDSA-N 2 1 238.375 1.485 20 0 BDADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923313635 644341349 /nfs/dbraw/zinc/34/13/49/644341349.db2.gz IICPBVICFQOVOI-GRYCIOLGSA-N 2 1 224.348 1.095 20 0 BDADMP c1cc([C@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n[nH]1 ZINC000923305522 644341712 /nfs/dbraw/zinc/34/17/12/644341712.db2.gz CVCAKPRLXCVIES-LBPRGKRZSA-N 2 1 248.374 1.731 20 0 BDADMP c1cc([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n[nH]1 ZINC000923305522 644341718 /nfs/dbraw/zinc/34/17/18/644341718.db2.gz CVCAKPRLXCVIES-LBPRGKRZSA-N 2 1 248.374 1.731 20 0 BDADMP c1cc([C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n[nH]1 ZINC000923305521 644342301 /nfs/dbraw/zinc/34/23/01/644342301.db2.gz CVCAKPRLXCVIES-GFCCVEGCSA-N 2 1 248.374 1.731 20 0 BDADMP c1cc([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n[nH]1 ZINC000923305521 644342305 /nfs/dbraw/zinc/34/23/05/644342305.db2.gz CVCAKPRLXCVIES-GFCCVEGCSA-N 2 1 248.374 1.731 20 0 BDADMP C[C@@H]([N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)C1(C)CC1 ZINC000923317216 644342715 /nfs/dbraw/zinc/34/27/15/644342715.db2.gz BZWXJHOWKANBPZ-VXGBXAGGSA-N 2 1 238.375 1.485 20 0 BDADMP CC(C)[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923315861 644343105 /nfs/dbraw/zinc/34/31/05/644343105.db2.gz NDKAZEDHUYABNB-XUXIUFHCSA-N 2 1 240.391 1.595 20 0 BDADMP CC[C@H](C)C[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315152 644344787 /nfs/dbraw/zinc/34/47/87/644344787.db2.gz QDXMDRMYKDYCQH-QWHCGFSZSA-N 2 1 240.391 1.733 20 0 BDADMP C[C@@H](C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccc1 ZINC000923312049 644346701 /nfs/dbraw/zinc/34/67/01/644346701.db2.gz GYFTZPTYTIPSOH-MXAVVETBSA-N 2 1 248.370 1.573 20 0 BDADMP CCc1ncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000923331332 644347528 /nfs/dbraw/zinc/34/75/28/644347528.db2.gz FYIHATPMNQEJSM-DLOVCJGASA-N 2 1 235.331 1.406 20 0 BDADMP CCc1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000923331332 644347530 /nfs/dbraw/zinc/34/75/30/644347530.db2.gz FYIHATPMNQEJSM-DLOVCJGASA-N 2 1 235.331 1.406 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923310577 644347733 /nfs/dbraw/zinc/34/77/33/644347733.db2.gz KDYAURYKEWHYHF-AGIUHOORSA-N 2 1 238.375 1.485 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@@H]21 ZINC000923330820 644348738 /nfs/dbraw/zinc/34/87/38/644348738.db2.gz CEPGNAFHQXUFHS-KWCYVHTRSA-N 3 1 237.391 1.188 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]2CN(CCC[NH2+]C3CC3)C[C@@H]21 ZINC000923330820 644348745 /nfs/dbraw/zinc/34/87/45/644348745.db2.gz CEPGNAFHQXUFHS-KWCYVHTRSA-N 2 1 237.391 1.188 20 0 BDADMP CC(C)CC[C@@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923335179 644356875 /nfs/dbraw/zinc/35/68/75/644356875.db2.gz LXGFTRMHODGCBD-ZIAGYGMSSA-N 2 1 242.407 1.857 20 0 BDADMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358987 644366824 /nfs/dbraw/zinc/36/68/24/644366824.db2.gz NSPOZWFIEIKBLM-RWMBFGLXSA-N 2 1 226.364 1.079 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354983 644373547 /nfs/dbraw/zinc/37/35/47/644373547.db2.gz XRBWOBTZYZXKMH-WYTNZGFTSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354983 644373551 /nfs/dbraw/zinc/37/35/51/644373551.db2.gz XRBWOBTZYZXKMH-WYTNZGFTSA-N 3 1 237.391 1.329 20 0 BDADMP C[C@H]1[C@@H](N)CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354983 644373557 /nfs/dbraw/zinc/37/35/57/644373557.db2.gz XRBWOBTZYZXKMH-WYTNZGFTSA-N 2 1 237.391 1.329 20 0 BDADMP C[C@H]1[C@@H](N)CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354983 644373561 /nfs/dbraw/zinc/37/35/61/644373561.db2.gz XRBWOBTZYZXKMH-WYTNZGFTSA-N 2 1 237.391 1.329 20 0 BDADMP CSC[C@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923374195 644388035 /nfs/dbraw/zinc/38/80/35/644388035.db2.gz SBAXAHLMHUEANV-NEPJUHHUSA-N 2 1 246.420 1.208 20 0 BDADMP COC(=O)C[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923373087 644389982 /nfs/dbraw/zinc/38/99/82/644389982.db2.gz MHIVZMYADFNZCO-GFCCVEGCSA-N 2 1 240.347 1.156 20 0 BDADMP CCc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000923376577 644390695 /nfs/dbraw/zinc/39/06/95/644390695.db2.gz ZCKHKLJHHQTUMO-QWRGUYRKSA-N 2 1 237.347 1.654 20 0 BDADMP CCc1ncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000923376577 644390701 /nfs/dbraw/zinc/39/07/01/644390701.db2.gz ZCKHKLJHHQTUMO-QWRGUYRKSA-N 2 1 237.347 1.654 20 0 BDADMP CSC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000923383490 644397238 /nfs/dbraw/zinc/39/72/38/644397238.db2.gz SIJNEXYYHQEOHL-WISYIIOYSA-N 2 1 246.420 1.016 20 0 BDADMP CC[C@H](C)[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923386170 644399896 /nfs/dbraw/zinc/39/98/96/644399896.db2.gz GCODKLOQNGWNCX-NWDGAFQWSA-N 2 1 226.364 1.485 20 0 BDADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923397585 644404471 /nfs/dbraw/zinc/40/44/71/644404471.db2.gz CYHJGZYOYWUREK-STQMWFEESA-N 2 1 240.391 1.658 20 0 BDADMP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000923408604 644410402 /nfs/dbraw/zinc/41/04/02/644410402.db2.gz DJNUTEMOLMMKSL-OCCSQVGLSA-N 2 1 236.359 1.259 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000923408604 644410408 /nfs/dbraw/zinc/41/04/08/644410408.db2.gz DJNUTEMOLMMKSL-OCCSQVGLSA-N 2 1 236.359 1.259 20 0 BDADMP C[C@@H]([NH3+])C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408887 644412065 /nfs/dbraw/zinc/41/20/65/644412065.db2.gz INMQWKDIRDUPFT-ODWCKFRGSA-N 3 1 225.380 1.186 20 0 BDADMP C[C@@H]([NH3+])CN(C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408887 644412068 /nfs/dbraw/zinc/41/20/68/644412068.db2.gz INMQWKDIRDUPFT-ODWCKFRGSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H](N)C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408887 644412073 /nfs/dbraw/zinc/41/20/73/644412073.db2.gz INMQWKDIRDUPFT-ODWCKFRGSA-N 2 1 225.380 1.186 20 0 BDADMP C[C@@H](N)C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923408887 644412079 /nfs/dbraw/zinc/41/20/79/644412079.db2.gz INMQWKDIRDUPFT-ODWCKFRGSA-N 2 1 225.380 1.186 20 0 BDADMP CN(C)c1nc(NCC[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000085432160 644440847 /nfs/dbraw/zinc/44/08/47/644440847.db2.gz JNIZTXDCXYBRDU-NSHDSACASA-N 2 1 249.362 1.344 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454348 644443340 /nfs/dbraw/zinc/44/33/40/644443340.db2.gz HDQYRXAKYRKJHD-PDWCTOEPSA-N 2 1 220.360 1.716 20 0 BDADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454348 644443343 /nfs/dbraw/zinc/44/33/43/644443343.db2.gz HDQYRXAKYRKJHD-PDWCTOEPSA-N 2 1 220.360 1.716 20 0 BDADMP C[N@@H+](CC[C@@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000085869848 644451577 /nfs/dbraw/zinc/45/15/77/644451577.db2.gz SMGNUPOXYCADEG-BPCQOVAHSA-N 2 1 226.364 1.757 20 0 BDADMP CCCCOC(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480884 644458247 /nfs/dbraw/zinc/45/82/47/644458247.db2.gz MEASDMXCZOJISY-GFCCVEGCSA-N 2 1 242.363 1.391 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)nc(C)n1 ZINC000923482267 644458513 /nfs/dbraw/zinc/45/85/13/644458513.db2.gz YCZAZKCJJREQMV-GFCCVEGCSA-N 2 1 234.347 1.264 20 0 BDADMP Cc1csc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923496272 644461378 /nfs/dbraw/zinc/46/13/78/644461378.db2.gz GZFRICQRBJSPEQ-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP CCC(F)(F)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488379 644462160 /nfs/dbraw/zinc/46/21/60/644462160.db2.gz DWFZAWSMWHOTQE-NXEZZACHSA-N 2 1 220.307 1.948 20 0 BDADMP CCC(F)(F)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488379 644462163 /nfs/dbraw/zinc/46/21/63/644462163.db2.gz DWFZAWSMWHOTQE-NXEZZACHSA-N 2 1 220.307 1.948 20 0 BDADMP Nc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923485471 644462776 /nfs/dbraw/zinc/46/27/76/644462776.db2.gz SBYZGFIUSHCZFX-NSHDSACASA-N 2 1 219.332 1.440 20 0 BDADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495766 644463579 /nfs/dbraw/zinc/46/35/79/644463579.db2.gz XQCAEYHWVOUPAA-KGLIPLIRSA-N 2 1 241.423 1.635 20 0 BDADMP Cc1nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000086403511 644466807 /nfs/dbraw/zinc/46/68/07/644466807.db2.gz WLQVOMJOAFJNHU-UWVGGRQHSA-N 2 1 225.361 1.811 20 0 BDADMP COC1CC(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923491937 644468612 /nfs/dbraw/zinc/46/86/12/644468612.db2.gz VIAKSFPDYTWUKP-GMKTYKIGSA-N 2 1 226.364 1.328 20 0 BDADMP C[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1C[NH3+] ZINC000923491780 644468709 /nfs/dbraw/zinc/46/87/09/644468709.db2.gz UDOKAQUUIFZRNE-YPMHNXCESA-N 2 1 208.349 1.869 20 0 BDADMP C[C@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1C[NH3+] ZINC000923497102 644470481 /nfs/dbraw/zinc/47/04/81/644470481.db2.gz KYXKCZDABBRVBD-AAEUAGOBSA-N 2 1 219.332 1.498 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499406 644472683 /nfs/dbraw/zinc/47/26/83/644472683.db2.gz KIJXZCVSNFQDNU-MWLCHTKSSA-N 2 1 239.388 1.868 20 0 BDADMP Cc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499403 644473421 /nfs/dbraw/zinc/47/34/21/644473421.db2.gz KIJXZCVSNFQDNU-GXSJLCMTSA-N 2 1 239.388 1.868 20 0 BDADMP CCc1noc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923497633 644473686 /nfs/dbraw/zinc/47/36/86/644473686.db2.gz HQABRYXWQAUINZ-VHSXEESVSA-N 2 1 238.335 1.049 20 0 BDADMP CCc1noc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923497633 644473694 /nfs/dbraw/zinc/47/36/94/644473694.db2.gz HQABRYXWQAUINZ-VHSXEESVSA-N 2 1 238.335 1.049 20 0 BDADMP C[C@@H]1C[N@@H+](CCOCC(F)F)CC[C@H]1C[NH3+] ZINC000923501655 644475663 /nfs/dbraw/zinc/47/56/63/644475663.db2.gz RUQPNQNBBBXVCY-ZJUUUORDSA-N 2 1 236.306 1.185 20 0 BDADMP c1csc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923518002 644479337 /nfs/dbraw/zinc/47/93/37/644479337.db2.gz IJMPPBCNHOVYQS-NWDGAFQWSA-N 2 1 236.384 1.832 20 0 BDADMP CCO[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC000923516286 644480265 /nfs/dbraw/zinc/48/02/65/644480265.db2.gz YBZBMLILEFLMFE-BFHYXJOUSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H](c1ccncc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518911 644482619 /nfs/dbraw/zinc/48/26/19/644482619.db2.gz ZDIDSEFMOCRWJW-FPMFFAJLSA-N 2 1 231.343 1.684 20 0 BDADMP Cn1c[nH+]cc1CCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531134 644486733 /nfs/dbraw/zinc/48/67/33/644486733.db2.gz PLIJBNBPUHKWRL-CQSZACIVSA-N 2 1 248.374 1.181 20 0 BDADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531094 644487927 /nfs/dbraw/zinc/48/79/27/644487927.db2.gz PBENCFQMKDWYFP-BFHYXJOUSA-N 2 1 238.375 1.629 20 0 BDADMP [NH3+]CCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534009 644490507 /nfs/dbraw/zinc/49/05/07/644490507.db2.gz QJGKFHLQTKVSHV-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534009 644490511 /nfs/dbraw/zinc/49/05/11/644490511.db2.gz QJGKFHLQTKVSHV-AWEZNQCLSA-N 3 1 239.407 1.724 20 0 BDADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(=O)[nH]1 ZINC000923552969 644494080 /nfs/dbraw/zinc/49/40/80/644494080.db2.gz GORYAFWSJDOHNS-LLVKDONJSA-N 2 1 235.331 1.219 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000923555179 644498814 /nfs/dbraw/zinc/49/88/14/644498814.db2.gz QJYJLHBRXMKNDQ-XBFCOCLRSA-N 2 1 238.375 1.343 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000923555179 644498817 /nfs/dbraw/zinc/49/88/17/644498817.db2.gz QJYJLHBRXMKNDQ-XBFCOCLRSA-N 2 1 238.375 1.343 20 0 BDADMP CC(C)OCC[N@@H+](C)CCCCCC[NH3+] ZINC000087978022 644506999 /nfs/dbraw/zinc/50/69/99/644506999.db2.gz FVJNCQKVSITPPS-UHFFFAOYSA-N 2 1 216.369 1.862 20 0 BDADMP CCc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000089106197 644534184 /nfs/dbraw/zinc/53/41/84/644534184.db2.gz VDYVVMOLUYYSTR-ZYHUDNBSSA-N 2 1 234.347 1.887 20 0 BDADMP CC[N@H+]1CC[C@@H](N(C)CC(OC)OC)[C@@H](C)C1 ZINC000249289645 644718192 /nfs/dbraw/zinc/71/81/92/644718192.db2.gz ABXPBXWGVYYDLN-NWDGAFQWSA-N 2 1 244.379 1.267 20 0 BDADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC(OC)OC)[C@@H](C)C1 ZINC000249289645 644718202 /nfs/dbraw/zinc/71/82/02/644718202.db2.gz ABXPBXWGVYYDLN-NWDGAFQWSA-N 2 1 244.379 1.267 20 0 BDADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(OC)OC)[C@@H](C)C1 ZINC000249289645 644718209 /nfs/dbraw/zinc/71/82/09/644718209.db2.gz ABXPBXWGVYYDLN-NWDGAFQWSA-N 2 1 244.379 1.267 20 0 BDADMP CC[N@H+]1CCN(c2cc[nH+]c(CO)c2)C[C@H]1C ZINC000250193370 644748918 /nfs/dbraw/zinc/74/89/18/644748918.db2.gz AOEAZMDKEOXWCR-LLVKDONJSA-N 2 1 235.331 1.104 20 0 BDADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000251733589 644818758 /nfs/dbraw/zinc/81/87/58/644818758.db2.gz KLBNTQSJGSGLFE-FRRDWIJNSA-N 2 1 226.364 1.472 20 0 BDADMP CC[N@@H+]1CC[C@H]([NH2+]CC[S@@](=O)CC)[C@H](C)C1 ZINC000252711589 644887287 /nfs/dbraw/zinc/88/72/87/644887287.db2.gz JZSUWLASCDORPU-WQGACYEGSA-N 2 1 246.420 1.075 20 0 BDADMP CC[N@H+]1CC[C@H]([NH2+]CC[S@@](=O)CC)[C@H](C)C1 ZINC000252711589 644887289 /nfs/dbraw/zinc/88/72/89/644887289.db2.gz JZSUWLASCDORPU-WQGACYEGSA-N 2 1 246.420 1.075 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000304450152 644909163 /nfs/dbraw/zinc/90/91/63/644909163.db2.gz XKQSPBBZPXDQEQ-GFCCVEGCSA-N 2 1 224.348 1.241 20 0 BDADMP C([C@H]1CCC[NH2+]1)[N@H+]1CCC2(C1)CCOCC2 ZINC000304450152 644909166 /nfs/dbraw/zinc/90/91/66/644909166.db2.gz XKQSPBBZPXDQEQ-GFCCVEGCSA-N 2 1 224.348 1.241 20 0 BDADMP CC(C)([NH3+])CC[NH2+]C1CCN(C2CC2)CC1 ZINC000304562338 644917914 /nfs/dbraw/zinc/91/79/14/644917914.db2.gz GYMOYUCCPKSCNX-UHFFFAOYSA-N 2 1 225.380 1.330 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926530109 645258192 /nfs/dbraw/zinc/25/81/92/645258192.db2.gz DSYJFEODSAOSDK-XDQVBPFNSA-N 2 1 222.376 1.962 20 0 BDADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926530109 645258197 /nfs/dbraw/zinc/25/81/97/645258197.db2.gz DSYJFEODSAOSDK-XDQVBPFNSA-N 2 1 222.376 1.962 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843129629 645267676 /nfs/dbraw/zinc/26/76/76/645267676.db2.gz QTZOXYBDHFIIGX-NWDGAFQWSA-N 3 1 213.369 1.093 20 0 BDADMP NC1(C[NH2+]CCCCCCC[NH3+])CCC1 ZINC000843368071 645285598 /nfs/dbraw/zinc/28/55/98/645285598.db2.gz ODARFAUVIUBPCK-UHFFFAOYSA-N 2 1 213.369 1.367 20 0 BDADMP CC[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000926573764 645293300 /nfs/dbraw/zinc/29/33/00/645293300.db2.gz PNZBZOLUZRJCFZ-BFHYXJOUSA-N 2 1 240.391 1.733 20 0 BDADMP CCO[C@H](C[NH2+][C@H]1CC[C@@H]1C)C[NH+](C)C ZINC000926960541 645498561 /nfs/dbraw/zinc/49/85/61/645498561.db2.gz MMBCXCJAILWRPX-TUAOUCFPSA-N 2 1 214.353 1.341 20 0 BDADMP CCO[C@@H](C[NH2+]C1CC(SC)C1)C[NH+](C)C ZINC000926959531 645500662 /nfs/dbraw/zinc/50/06/62/645500662.db2.gz JPWJGWHMNNDVLB-CXQJBGSLSA-N 2 1 246.420 1.437 20 0 BDADMP CCO[C@@H](C[NH2+][C@H]1CCOC1(C)C)C[NH+](C)C ZINC000926962580 645501419 /nfs/dbraw/zinc/50/14/19/645501419.db2.gz QQRMGJURHGDEEZ-RYUDHWBXSA-N 2 1 244.379 1.110 20 0 BDADMP CCO[C@@H](C[NH2+][C@@H]1CCCC12CC2)C[NH+](C)C ZINC000926961161 645501652 /nfs/dbraw/zinc/50/16/52/645501652.db2.gz OGJSXQOJXUMETJ-QWHCGFSZSA-N 2 1 240.391 1.875 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000925482363 645866083 /nfs/dbraw/zinc/86/60/83/645866083.db2.gz QVOXABCZBOCKQS-MNOVXSKESA-N 2 1 212.337 1.286 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1ccnc1 ZINC000924535523 646054380 /nfs/dbraw/zinc/05/43/80/646054380.db2.gz XJDVICNTCQTAJP-PBWFPOADSA-N 2 1 248.374 1.203 20 0 BDADMP c1cc(SCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000929313365 646073637 /nfs/dbraw/zinc/07/36/37/646073637.db2.gz WICAAWIWIYDPMU-TXEJJXNPSA-N 2 1 249.383 1.325 20 0 BDADMP c1cc(SCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000929313365 646073642 /nfs/dbraw/zinc/07/36/42/646073642.db2.gz WICAAWIWIYDPMU-TXEJJXNPSA-N 2 1 249.383 1.325 20 0 BDADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924915251 646133468 /nfs/dbraw/zinc/13/34/68/646133468.db2.gz FIQVGIXYNVDGNZ-RFQIPJPRSA-N 2 1 242.407 1.977 20 0 BDADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924915251 646133470 /nfs/dbraw/zinc/13/34/70/646133470.db2.gz FIQVGIXYNVDGNZ-RFQIPJPRSA-N 2 1 242.407 1.977 20 0 BDADMP CC(C)C(C(C)C)[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000924990634 646151851 /nfs/dbraw/zinc/15/18/51/646151851.db2.gz JCVGLOLQXCYQHR-OLZOCXBDSA-N 2 1 244.423 1.815 20 0 BDADMP COC/C(C)=C\C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637261 646209957 /nfs/dbraw/zinc/20/99/57/646209957.db2.gz GAHXWTVOVVDKMV-XLVZXTRVSA-N 2 1 226.364 1.463 20 0 BDADMP COC/C(C)=C\C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637261 646209959 /nfs/dbraw/zinc/20/99/59/646209959.db2.gz GAHXWTVOVVDKMV-XLVZXTRVSA-N 2 1 226.364 1.463 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOC2CC2)C1 ZINC000929751337 646283508 /nfs/dbraw/zinc/28/35/08/646283508.db2.gz ZVBKHPXJJDFPMV-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOC2CC2)C1 ZINC000929751337 646283510 /nfs/dbraw/zinc/28/35/10/646283510.db2.gz ZVBKHPXJJDFPMV-ZDUSSCGKSA-N 2 1 240.391 1.829 20 0 BDADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925479477 646292430 /nfs/dbraw/zinc/29/24/30/646292430.db2.gz BNEMAVLNRHKCKN-AXFHLTTASA-N 2 1 214.353 1.124 20 0 BDADMP COC[C@H](C)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925479320 646292537 /nfs/dbraw/zinc/29/25/37/646292537.db2.gz GCGCOAARTVJENJ-DYEKYZERSA-N 2 1 236.359 1.947 20 0 BDADMP O[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925500366 646304255 /nfs/dbraw/zinc/30/42/55/646304255.db2.gz DQHKORJYLIZSNL-UTUOFQBUSA-N 2 1 224.348 1.164 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000925529254 646315055 /nfs/dbraw/zinc/31/50/55/646315055.db2.gz DEKVZEKAYFCZCZ-ZJUUUORDSA-N 2 1 214.378 1.612 20 0 BDADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925522451 646316080 /nfs/dbraw/zinc/31/60/80/646316080.db2.gz RRRAKUVVIINCDK-JHJVBQTASA-N 3 1 241.423 1.822 20 0 BDADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)C(C)C ZINC000925527139 646317558 /nfs/dbraw/zinc/31/75/58/646317558.db2.gz MCDVQJGDYJUJQY-WDEREUQCSA-N 2 1 214.353 1.388 20 0 BDADMP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925529197 646318147 /nfs/dbraw/zinc/31/81/47/646318147.db2.gz ZPSMIGWRVYCPKN-CHWSQXEVSA-N 2 1 242.407 1.905 20 0 BDADMP Cc1nc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cs1 ZINC000925535203 646322560 /nfs/dbraw/zinc/32/25/60/646322560.db2.gz CZFRLEQEZVMZSH-LLVKDONJSA-N 2 1 239.388 1.724 20 0 BDADMP CC[N@@H+](CCN[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925556479 646331317 /nfs/dbraw/zinc/33/13/17/646331317.db2.gz JNQDMHHEOOIOPJ-STQMWFEESA-N 2 1 227.396 1.447 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925556830 646333833 /nfs/dbraw/zinc/33/38/33/646333833.db2.gz LMABPMRJVYFRRR-CYBMUJFWSA-N 2 1 239.407 1.591 20 0 BDADMP C[N@H+]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925563231 646335246 /nfs/dbraw/zinc/33/52/46/646335246.db2.gz BHGURRQVCOASRR-FRRDWIJNSA-N 2 1 239.407 1.576 20 0 BDADMP CN1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925563231 646335249 /nfs/dbraw/zinc/33/52/49/646335249.db2.gz BHGURRQVCOASRR-FRRDWIJNSA-N 2 1 239.407 1.576 20 0 BDADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925573489 646342552 /nfs/dbraw/zinc/34/25/52/646342552.db2.gz OAQOMDMSKPFQCX-MCIONIFRSA-N 2 1 239.407 1.591 20 0 BDADMP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925579709 646343774 /nfs/dbraw/zinc/34/37/74/646343774.db2.gz GTOPYQFYSUMRPB-QWHCGFSZSA-N 2 1 240.391 1.658 20 0 BDADMP Cc1occc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925615911 646361899 /nfs/dbraw/zinc/36/18/99/646361899.db2.gz JIMWNKYIDWDMIA-RYUDHWBXSA-N 2 1 220.316 1.948 20 0 BDADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@H](O)CC1 ZINC000925615164 646362746 /nfs/dbraw/zinc/36/27/46/646362746.db2.gz MXZCJRKVCXJZIW-NUHWUEHESA-N 2 1 238.375 1.220 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925621836 646366599 /nfs/dbraw/zinc/36/65/99/646366599.db2.gz GZAVALVXRJSMKU-RYUDHWBXSA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1CCC[N@H+]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925624665 646370469 /nfs/dbraw/zinc/37/04/69/646370469.db2.gz ZLGKSUOYSKKTSW-STQMWFEESA-N 2 1 237.391 1.345 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925636893 646380923 /nfs/dbraw/zinc/38/09/23/646380923.db2.gz VRHVWHFLDLRPAI-QNWHQSFQSA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925636894 646380948 /nfs/dbraw/zinc/38/09/48/646380948.db2.gz VRHVWHFLDLRPAI-UMSGYPCISA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925646622 646386999 /nfs/dbraw/zinc/38/69/99/646386999.db2.gz VMAYWVMZGQEPOK-DCAQKATOSA-N 2 1 212.337 1.284 20 0 BDADMP OCCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925647548 646387698 /nfs/dbraw/zinc/38/76/98/646387698.db2.gz ZPKMIHFGDGYIMN-GFCCVEGCSA-N 2 1 238.375 1.413 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925650206 646389111 /nfs/dbraw/zinc/38/91/11/646389111.db2.gz SGSIQWYFNXZZLN-NSHDSACASA-N 2 1 228.380 1.658 20 0 BDADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925650205 646389711 /nfs/dbraw/zinc/38/97/11/646389711.db2.gz SGSIQWYFNXZZLN-LLVKDONJSA-N 2 1 228.380 1.658 20 0 BDADMP Cc1nccnc1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925673969 646402837 /nfs/dbraw/zinc/40/28/37/646402837.db2.gz FXXNAJMSRFLUMI-JQWIXIFHSA-N 2 1 234.347 1.058 20 0 BDADMP C[C@H]1NCCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000925672219 646402896 /nfs/dbraw/zinc/40/28/96/646402896.db2.gz UPEAFNPYUMAERC-VHDGCEQUSA-N 2 1 248.370 1.320 20 0 BDADMP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925687195 646412756 /nfs/dbraw/zinc/41/27/56/646412756.db2.gz ZTGHNWIXRAWGBP-WOPDTQHZSA-N 2 1 224.348 1.428 20 0 BDADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925685462 646413063 /nfs/dbraw/zinc/41/30/63/646413063.db2.gz ITSOARPVCDSJKX-STQMWFEESA-N 3 1 239.407 1.448 20 0 BDADMP C[N@@H+]1CCC[C@@H](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925685462 646413064 /nfs/dbraw/zinc/41/30/64/646413064.db2.gz ITSOARPVCDSJKX-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[N@H+]1CCC[C@@H](CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925685462 646413067 /nfs/dbraw/zinc/41/30/67/646413067.db2.gz ITSOARPVCDSJKX-STQMWFEESA-N 2 1 239.407 1.448 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000925686698 646413297 /nfs/dbraw/zinc/41/32/97/646413297.db2.gz XRKQTUCGAPEUCV-QWHCGFSZSA-N 2 1 239.407 1.591 20 0 BDADMP Cc1cnc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)cn1 ZINC000925686346 646413508 /nfs/dbraw/zinc/41/35/08/646413508.db2.gz UMHWNCOPESKFKC-AAEUAGOBSA-N 2 1 234.347 1.058 20 0 BDADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925696876 646421435 /nfs/dbraw/zinc/42/14/35/646421435.db2.gz UZTSXFHLRCDFFI-TUAOUCFPSA-N 2 1 226.364 1.673 20 0 BDADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000925701622 646425402 /nfs/dbraw/zinc/42/54/02/646425402.db2.gz CGNFJIBNCSOWIV-JSGCOSHPSA-N 2 1 245.370 1.753 20 0 BDADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925703966 646428819 /nfs/dbraw/zinc/42/88/19/646428819.db2.gz FOANOWYRGDELJM-YPMHNXCESA-N 2 1 223.364 1.026 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925703958 646429450 /nfs/dbraw/zinc/42/94/50/646429450.db2.gz FOANOWYRGDELJM-AAEUAGOBSA-N 2 1 223.364 1.026 20 0 BDADMP CC1(C)[NH2+]CC[C@H]1NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726491 646452375 /nfs/dbraw/zinc/45/23/75/646452375.db2.gz IVSLMSVUIMXKMZ-YVECIDJPSA-N 2 1 237.391 1.247 20 0 BDADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729237 646454943 /nfs/dbraw/zinc/45/49/43/646454943.db2.gz ZHEBSTXFQFSEGY-RFHZTLPTSA-N 3 1 233.359 1.402 20 0 BDADMP C[C@@H]([NH3+])[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000925729237 646454947 /nfs/dbraw/zinc/45/49/47/646454947.db2.gz ZHEBSTXFQFSEGY-RFHZTLPTSA-N 2 1 233.359 1.402 20 0 BDADMP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000925731236 646455687 /nfs/dbraw/zinc/45/56/87/646455687.db2.gz ZLAWEUZHOQCNOO-WCQYABFASA-N 2 1 237.391 1.249 20 0 BDADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccns1 ZINC000925733994 646457964 /nfs/dbraw/zinc/45/79/64/646457964.db2.gz YWZHQJJPFITVBO-UWVGGRQHSA-N 2 1 211.334 1.155 20 0 BDADMP CCC1([NH3+])CC[NH+]([C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000925761803 646466249 /nfs/dbraw/zinc/46/62/49/646466249.db2.gz ZITBFEKQLRUANH-QWRGUYRKSA-N 3 1 213.369 1.316 20 0 BDADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000925774198 646472208 /nfs/dbraw/zinc/47/22/08/646472208.db2.gz SJPSNUCYFZKURM-IUCAKERBSA-N 2 1 223.320 1.767 20 0 BDADMP C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000925775065 646472328 /nfs/dbraw/zinc/47/23/28/646472328.db2.gz ZWFRGLBXGHTYLS-AGIUHOORSA-N 2 1 238.375 1.676 20 0 BDADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000925774944 646473061 /nfs/dbraw/zinc/47/30/61/646473061.db2.gz YDXDHTBKOJWBQJ-PWSUYJOCSA-N 2 1 235.331 1.769 20 0 BDADMP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925783504 646479290 /nfs/dbraw/zinc/47/92/90/646479290.db2.gz CXWPHBIWQJXSCT-MROQNXINSA-N 2 1 239.407 1.338 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cncs1 ZINC000925791787 646485782 /nfs/dbraw/zinc/48/57/82/646485782.db2.gz SEYTWZKHVYWTSJ-UTLUCORTSA-N 2 1 225.361 1.649 20 0 BDADMP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCCN1 ZINC000925798363 646486530 /nfs/dbraw/zinc/48/65/30/646486530.db2.gz WHQUBJLHBFAPHB-AAVRWANBSA-N 2 1 239.407 1.352 20 0 BDADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925824353 646496139 /nfs/dbraw/zinc/49/61/39/646496139.db2.gz SAQBCKKGOYAHBT-ZIQFBCGOSA-N 2 1 208.349 1.761 20 0 BDADMP Cc1cc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)nn1C ZINC000925835768 646502469 /nfs/dbraw/zinc/50/24/69/646502469.db2.gz VMYHLRYSBAEIII-YPMHNXCESA-N 2 1 236.363 1.001 20 0 BDADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000925837864 646505320 /nfs/dbraw/zinc/50/53/20/646505320.db2.gz INQYGXPVAWFFPJ-AAVRWANBSA-N 3 1 237.391 1.378 20 0 BDADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841130 646506654 /nfs/dbraw/zinc/50/66/54/646506654.db2.gz FIRDCNXLOSCPLB-AAVRWANBSA-N 2 1 237.391 1.058 20 0 BDADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841130 646506658 /nfs/dbraw/zinc/50/66/58/646506658.db2.gz FIRDCNXLOSCPLB-AAVRWANBSA-N 2 1 237.391 1.058 20 0 BDADMP CCC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000925857524 646510938 /nfs/dbraw/zinc/51/09/38/646510938.db2.gz MLVATSKNOVMICF-AGIUHOORSA-N 2 1 228.380 1.658 20 0 BDADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCS2 ZINC000925855238 646511141 /nfs/dbraw/zinc/51/11/41/646511141.db2.gz CGIXODZSOLWQCN-QWRGUYRKSA-N 2 1 226.389 1.756 20 0 BDADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCS1 ZINC000925861606 646513990 /nfs/dbraw/zinc/51/39/90/646513990.db2.gz QSCDFTDLSMLWAP-OPRDCNLKSA-N 2 1 200.351 1.222 20 0 BDADMP CCC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925857949 646511772 /nfs/dbraw/zinc/51/17/72/646511772.db2.gz NWJXHTPWRIHIPN-CHWSQXEVSA-N 2 1 240.391 1.802 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCS1 ZINC000925861605 646514449 /nfs/dbraw/zinc/51/44/49/646514449.db2.gz QSCDFTDLSMLWAP-KXUCPTDWSA-N 2 1 200.351 1.222 20 0 BDADMP N[C@H]1CCCCC[C@H]1[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC000925879459 646529399 /nfs/dbraw/zinc/52/93/99/646529399.db2.gz FEIGGCXNDIKSTG-QNWHQSFQSA-N 2 1 225.380 1.363 20 0 BDADMP CC(C)OC1CC([NH2+]CCc2c[nH+]cn2C)C1 ZINC000926203611 646590668 /nfs/dbraw/zinc/59/06/68/646590668.db2.gz NJOKILONMZRXAP-UHFFFAOYSA-N 2 1 237.347 1.508 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C(C)(C)CO ZINC000926332157 646618744 /nfs/dbraw/zinc/61/87/44/646618744.db2.gz PPOMGXQSACDGPC-NEPJUHHUSA-N 2 1 230.396 1.713 20 0 BDADMP CC[NH+](CC)[C@H](C)C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926330813 646619453 /nfs/dbraw/zinc/61/94/53/646619453.db2.gz OFEMICMNTHCHMK-RWMBFGLXSA-N 2 1 242.407 1.977 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000396602610 711702559 /nfs/dbraw/zinc/70/25/59/711702559.db2.gz NVNJLCCCBIMLJO-AVGNSLFASA-N 2 1 226.364 1.676 20 0 BDADMP CCC(O)(CC)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396728462 711703435 /nfs/dbraw/zinc/70/34/35/711703435.db2.gz ZUPMLMXRHINCJJ-MNOVXSKESA-N 2 1 214.353 1.268 20 0 BDADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000397302718 711705311 /nfs/dbraw/zinc/70/53/11/711705311.db2.gz LDRXSKAWULCUKC-MGPQQGTHSA-N 2 1 242.407 1.844 20 0 BDADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCCCCO ZINC000236252651 711761677 /nfs/dbraw/zinc/76/16/77/711761677.db2.gz DAZRJFCBOJAKLA-CYBMUJFWSA-N 2 1 228.380 1.742 20 0 BDADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721797583 711770161 /nfs/dbraw/zinc/77/01/61/711770161.db2.gz GVVCQBNBCMUTTN-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721797583 711770162 /nfs/dbraw/zinc/77/01/62/711770162.db2.gz GVVCQBNBCMUTTN-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721797583 711770164 /nfs/dbraw/zinc/77/01/64/711770164.db2.gz GVVCQBNBCMUTTN-CHWSQXEVSA-N 2 1 240.391 1.564 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)CC[N@@H+]1C ZINC000703018631 712065423 /nfs/dbraw/zinc/06/54/23/712065423.db2.gz YIBSFZMXQKALDG-AHPWVWPOSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)CC[N@H+]1C ZINC000703018631 712065425 /nfs/dbraw/zinc/06/54/25/712065425.db2.gz YIBSFZMXQKALDG-AHPWVWPOSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@H](O)CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705669023 712134960 /nfs/dbraw/zinc/13/49/60/712134960.db2.gz LHYLFSLEQKWAAW-YNEHKIRRSA-N 2 1 226.364 1.031 20 0 BDADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706895334 712159721 /nfs/dbraw/zinc/15/97/21/712159721.db2.gz BTEQUBHOUSJMAG-UNXYVOJBSA-N 2 1 228.405 1.812 20 0 BDADMP C[NH2+]CCC[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000708341828 712189501 /nfs/dbraw/zinc/18/95/01/712189501.db2.gz WAGFTVKNUVNERR-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000708341828 712189503 /nfs/dbraw/zinc/18/95/03/712189503.db2.gz WAGFTVKNUVNERR-LLVKDONJSA-N 2 1 214.353 1.343 20 0 BDADMP CC(C)[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000708885814 712202916 /nfs/dbraw/zinc/20/29/16/712202916.db2.gz RPNRSSKXCVJUPI-FRRDWIJNSA-N 2 1 226.364 1.199 20 0 BDADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000708885814 712202921 /nfs/dbraw/zinc/20/29/21/712202921.db2.gz RPNRSSKXCVJUPI-FRRDWIJNSA-N 2 1 226.364 1.199 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC000709968846 712236183 /nfs/dbraw/zinc/23/61/83/712236183.db2.gz YDNXVESQVVDGFF-JTQLQIEISA-N 2 1 225.361 1.227 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000709968846 712236184 /nfs/dbraw/zinc/23/61/84/712236184.db2.gz YDNXVESQVVDGFF-JTQLQIEISA-N 2 1 225.361 1.227 20 0 BDADMP Cn1cncc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710730510 712255173 /nfs/dbraw/zinc/25/51/73/712255173.db2.gz TXKWJTIFDCYKQR-UHFFFAOYSA-N 2 1 224.352 1.371 20 0 BDADMP CO[C@H]1COCC[C@@H]1[N@@H+](C)CCCCCC[NH3+] ZINC000710724468 712255742 /nfs/dbraw/zinc/25/57/42/712255742.db2.gz MHAGBLGRBWGSOY-STQMWFEESA-N 2 1 244.379 1.241 20 0 BDADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713584352 712466244 /nfs/dbraw/zinc/46/62/44/712466244.db2.gz DQEYHUSJULYXJT-AVGNSLFASA-N 2 1 240.391 1.861 20 0 BDADMP Cc1n[nH]cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000036901598 712513992 /nfs/dbraw/zinc/51/39/92/712513992.db2.gz HHEMGODXKOUJTP-UHFFFAOYSA-N 2 1 236.363 1.684 20 0 BDADMP C[N@@H+](C[C@H]1CCC2(CCC2)CO1)C1CC([NH3+])C1 ZINC000716321005 712554729 /nfs/dbraw/zinc/55/47/29/712554729.db2.gz WAQRHRXDWZSXFA-WXRRBKDZSA-N 2 1 238.375 1.757 20 0 BDADMP C([NH2+][C@@H]1CCSC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485334 712650878 /nfs/dbraw/zinc/65/08/78/712650878.db2.gz MSGUKHMEJOKCJG-WDEREUQCSA-N 2 1 226.389 1.566 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000719780186 712824742 /nfs/dbraw/zinc/82/47/42/712824742.db2.gz UUPLATLBOLOFDM-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@H](O)CN1CCCC1 ZINC000381270055 710614769 /nfs/dbraw/zinc/61/47/69/710614769.db2.gz VGTHEOFTZROOPF-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000381270055 710614772 /nfs/dbraw/zinc/61/47/72/710614772.db2.gz VGTHEOFTZROOPF-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP CC[C@@H](C)[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000381270055 710614773 /nfs/dbraw/zinc/61/47/73/710614773.db2.gz VGTHEOFTZROOPF-CHWSQXEVSA-N 2 1 228.380 1.564 20 0 BDADMP COC[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)C(C)C ZINC000721915825 710690141 /nfs/dbraw/zinc/69/01/41/710690141.db2.gz VUGPUCOZTGRKBL-FRRDWIJNSA-N 2 1 228.380 1.717 20 0 BDADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000723988802 710735465 /nfs/dbraw/zinc/73/54/65/710735465.db2.gz RVMOMTMQPHELLH-GXTWGEPZSA-N 2 1 240.391 1.875 20 0 BDADMP COCc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000382719888 710975226 /nfs/dbraw/zinc/97/52/26/710975226.db2.gz HKVIATSRHUXKGF-LLVKDONJSA-N 2 1 238.331 1.597 20 0 BDADMP COCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000382719888 710975227 /nfs/dbraw/zinc/97/52/27/710975227.db2.gz HKVIATSRHUXKGF-LLVKDONJSA-N 2 1 238.331 1.597 20 0 BDADMP CCC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)OC ZINC000383091232 710977179 /nfs/dbraw/zinc/97/71/79/710977179.db2.gz LJMJWBOQNRJIFS-BSCCGWMCSA-N 2 1 238.375 1.388 20 0 BDADMP CC[N@@H+](CCC1CC1)C[C@H](O)CN1CCCC1 ZINC000385380258 711011814 /nfs/dbraw/zinc/01/18/14/711011814.db2.gz ZZRQMDQZNRTONQ-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@H+](CCC1CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000385380258 711011817 /nfs/dbraw/zinc/01/18/17/711011817.db2.gz ZZRQMDQZNRTONQ-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP CC[N@@H+](CCC1CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000385380258 711011820 /nfs/dbraw/zinc/01/18/20/711011820.db2.gz ZZRQMDQZNRTONQ-AWEZNQCLSA-N 2 1 240.391 1.565 20 0 BDADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@H]1C ZINC000380718648 712902907 /nfs/dbraw/zinc/90/29/07/712902907.db2.gz GJBUSZXMCDGGAY-HRDYMLBCSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1C ZINC000380718648 712902908 /nfs/dbraw/zinc/90/29/08/712902908.db2.gz GJBUSZXMCDGGAY-HRDYMLBCSA-N 2 1 206.280 1.699 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC000388164323 711053706 /nfs/dbraw/zinc/05/37/06/711053706.db2.gz OYNMLFHPFOQNSP-QBNQYXCASA-N 2 1 202.729 1.811 20 0 BDADMP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CC[N@H+]1C ZINC000388164323 711053710 /nfs/dbraw/zinc/05/37/10/711053710.db2.gz OYNMLFHPFOQNSP-QBNQYXCASA-N 2 1 202.729 1.811 20 0 BDADMP CSCC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000390641141 711129618 /nfs/dbraw/zinc/12/96/18/711129618.db2.gz MXGDQUMHYPHFBP-JQWIXIFHSA-N 2 1 246.420 1.173 20 0 BDADMP CSCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000390641141 711129621 /nfs/dbraw/zinc/12/96/21/711129621.db2.gz MXGDQUMHYPHFBP-JQWIXIFHSA-N 2 1 246.420 1.173 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000396622157 711360716 /nfs/dbraw/zinc/36/07/16/711360716.db2.gz HVRIGPUELPICKZ-BXUZGUMPSA-N 2 1 234.343 1.665 20 0 BDADMP C[C@@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000395034572 711201415 /nfs/dbraw/zinc/20/14/15/711201415.db2.gz QYGKEFOQBPBOKV-WODVXLOZSA-N 2 1 240.391 1.751 20 0 BDADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1CCO ZINC000395405898 711210345 /nfs/dbraw/zinc/21/03/45/711210345.db2.gz VNXYDNBKFCAAKD-CYBMUJFWSA-N 2 1 228.380 1.742 20 0 BDADMP CSCCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396626474 711361367 /nfs/dbraw/zinc/36/13/67/711361367.db2.gz FOTGKEOTEQWCTQ-MNOVXSKESA-N 2 1 216.394 1.860 20 0 BDADMP COCCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396561897 711355994 /nfs/dbraw/zinc/35/59/94/711355994.db2.gz IGBOVNGPTOCYEA-WDEREUQCSA-N 2 1 200.326 1.143 20 0 BDADMP CC[N@@H+](CCN[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000396581835 711356461 /nfs/dbraw/zinc/35/64/61/711356461.db2.gz FQTWMVDNJJIFJR-WCQYABFASA-N 2 1 225.380 1.201 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000396602702 711358728 /nfs/dbraw/zinc/35/87/28/711358728.db2.gz BJGRAVNUFKNLLE-VXGBXAGGSA-N 3 1 213.369 1.058 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000396595153 711359345 /nfs/dbraw/zinc/35/93/45/711359345.db2.gz LGNBXGOBDQHDTD-JSGCOSHPSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000396595159 711359610 /nfs/dbraw/zinc/35/96/10/711359610.db2.gz LGNBXGOBDQHDTD-TZMCWYRMSA-N 2 1 239.407 1.591 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000396618001 711360578 /nfs/dbraw/zinc/36/05/78/711360578.db2.gz UCGHHBLZSUVKAZ-DGCLKSJQSA-N 2 1 226.364 1.533 20 0 BDADMP C[C@@H](CCCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000398565193 711411846 /nfs/dbraw/zinc/41/18/46/711411846.db2.gz DKAQCSJKUWTMDQ-FUDCBSFHSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H]1COCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000399249407 711426096 /nfs/dbraw/zinc/42/60/96/711426096.db2.gz FDRLPQMYROVELQ-STQMWFEESA-N 2 1 226.364 1.344 20 0 BDADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000396623253 711362119 /nfs/dbraw/zinc/36/21/19/711362119.db2.gz VKCVAJFYPHHHAF-VXGBXAGGSA-N 2 1 226.364 1.412 20 0 BDADMP Cc1nc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)cs1 ZINC000396673914 711365350 /nfs/dbraw/zinc/36/53/50/711365350.db2.gz RVYDEJFICNANTD-JOYOIKCWSA-N 2 1 239.388 1.724 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000396734471 711365944 /nfs/dbraw/zinc/36/59/44/711365944.db2.gz ZQLIXACDPNGCGX-NWDGAFQWSA-N 2 1 228.380 1.515 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CCO ZINC000396698886 711366902 /nfs/dbraw/zinc/36/69/02/711366902.db2.gz MRPYEBXFHMTUOQ-WDEREUQCSA-N 2 1 214.353 1.125 20 0 BDADMP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC2CCC1CC2 ZINC000399890466 711436644 /nfs/dbraw/zinc/43/66/44/711436644.db2.gz JBIZPRHXYXEUJG-TYUFSLCMSA-N 2 1 226.364 1.064 20 0 BDADMP C[C@H]1OCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000717929232 711492708 /nfs/dbraw/zinc/49/27/08/711492708.db2.gz GWLLUBLTZDSTMF-KKOKHZNYSA-N 2 1 212.337 1.223 20 0 BDADMP CSC[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717961367 711492876 /nfs/dbraw/zinc/49/28/76/711492876.db2.gz LQZNSUPMUFEPTP-GRYCIOLGSA-N 2 1 228.405 1.941 20 0 BDADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)o1 ZINC000723646556 711529923 /nfs/dbraw/zinc/52/99/23/711529923.db2.gz JNBJBRKTHZRPDV-CHWSQXEVSA-N 2 1 249.358 1.865 20 0 BDADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)o1 ZINC000723646556 711529925 /nfs/dbraw/zinc/52/99/25/711529925.db2.gz JNBJBRKTHZRPDV-CHWSQXEVSA-N 2 1 249.358 1.865 20 0 BDADMP COCc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723678362 711533855 /nfs/dbraw/zinc/53/38/55/711533855.db2.gz KFHPTQWGFFRGNQ-NSHDSACASA-N 2 1 238.331 1.597 20 0 BDADMP Cc1conc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723701417 711534549 /nfs/dbraw/zinc/53/45/49/711534549.db2.gz CCMUUVIAFJUORU-JTQLQIEISA-N 2 1 209.293 1.154 20 0 BDADMP CC(C)c1cnc(C[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000723709465 711535323 /nfs/dbraw/zinc/53/53/23/711535323.db2.gz PFZOTBNSJBTUDY-NSHDSACASA-N 2 1 237.347 1.969 20 0 BDADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000723875848 711541623 /nfs/dbraw/zinc/54/16/23/711541623.db2.gz FISYFJDJEJKXLQ-CYBMUJFWSA-N 2 1 233.359 1.869 20 0 BDADMP Cc1cc(C)nc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000723875848 711541625 /nfs/dbraw/zinc/54/16/25/711541625.db2.gz FISYFJDJEJKXLQ-CYBMUJFWSA-N 2 1 233.359 1.869 20 0 BDADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000134713295 711543840 /nfs/dbraw/zinc/54/38/40/711543840.db2.gz UTCSNLJOYZSOLR-NEPJUHHUSA-N 2 1 212.337 1.097 20 0 BDADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000723901046 711544226 /nfs/dbraw/zinc/54/42/26/711544226.db2.gz MLHGLFPPOZNXSC-BXUZGUMPSA-N 2 1 233.359 1.807 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000132527337 711557926 /nfs/dbraw/zinc/55/79/26/711557926.db2.gz MODYQEMEZOBSSN-MNOVXSKESA-N 2 1 228.405 1.954 20 0 BDADMP C[C@@H]1[C@H](C)SCC[N@H+]1CCC[NH2+]C1CC1 ZINC000132527337 711557929 /nfs/dbraw/zinc/55/79/29/711557929.db2.gz MODYQEMEZOBSSN-MNOVXSKESA-N 2 1 228.405 1.954 20 0 BDADMP c1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cs1 ZINC000383369815 711644959 /nfs/dbraw/zinc/64/49/59/711644959.db2.gz YIFAIUMBVQUVOH-MEBFFEOJSA-N 2 1 248.395 1.877 20 0 BDADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000719626570 711672902 /nfs/dbraw/zinc/67/29/02/711672902.db2.gz SYJBJGCSCNDBAG-WCQYABFASA-N 2 1 225.380 1.153 20 0 BDADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000925548881 711700168 /nfs/dbraw/zinc/70/01/68/711700168.db2.gz JIOHORKUSOPPPB-GXSJLCMTSA-N 2 1 222.336 1.405 20 0 BDADMP [NH3+]C[C@H]1C[N@@H+](CCc2cccs2)CCCO1 ZINC000313374216 711721007 /nfs/dbraw/zinc/72/10/07/711721007.db2.gz KJUSTCDIJVGYTR-NSHDSACASA-N 2 1 240.372 1.340 20 0 BDADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722324735 711737335 /nfs/dbraw/zinc/73/73/35/711737335.db2.gz MSTHWLZBQGIKJS-GHYVTOPFSA-N 2 1 238.375 1.674 20 0 BDADMP C[N@@H+](C[C@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000398879126 711740390 /nfs/dbraw/zinc/74/03/90/711740390.db2.gz GSPFETAAMVEQQJ-CHWSQXEVSA-N 2 1 226.364 1.344 20 0 BDADMP CN(C[C@H]1CCC[N@H+]1C)C[C@@]1(C)CCC[NH2+]C1 ZINC000220955943 711752772 /nfs/dbraw/zinc/75/27/72/711752772.db2.gz JWXFMNCSCJZUAF-KGLIPLIRSA-N 2 1 239.407 1.402 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2scnc2Cl)C1 ZINC000721906299 711813623 /nfs/dbraw/zinc/81/36/23/711813623.db2.gz HSMWMYIHEWVGCI-QMMMGPOBSA-N 2 1 245.779 1.967 20 0 BDADMP CC[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000226029440 711830009 /nfs/dbraw/zinc/83/00/09/711830009.db2.gz BPHLACHCHZATFF-AEGPPILISA-N 2 1 248.370 1.779 20 0 BDADMP CCOCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000083550336 711916508 /nfs/dbraw/zinc/91/65/08/711916508.db2.gz ZZHASYVYRDWHCR-LLVKDONJSA-N 2 1 200.326 1.084 20 0 BDADMP CC[C@@H]1C[N@@H+](C[C@@H](COC)C(C)C)CC[C@H]1[NH3+] ZINC000721913810 711918064 /nfs/dbraw/zinc/91/80/64/711918064.db2.gz QDNNNIHELPZHOJ-HZSPNIEDSA-N 2 1 242.407 1.964 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000721929066 711938003 /nfs/dbraw/zinc/93/80/03/711938003.db2.gz WTLMJUDEUHDGMF-UPJWGTAASA-N 2 1 226.364 1.343 20 0 BDADMP C[N@@H+]1CC[C@H]([NH2+]CC2OCCCO2)CC1(C)C ZINC000922281681 711966101 /nfs/dbraw/zinc/96/61/01/711966101.db2.gz XPDMBRZLKVLZQK-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP C[N@H+]1CC[C@H]([NH2+]CC2OCCCO2)CC1(C)C ZINC000922281681 711966102 /nfs/dbraw/zinc/96/61/02/711966102.db2.gz XPDMBRZLKVLZQK-NSHDSACASA-N 2 1 242.363 1.212 20 0 BDADMP COc1cncc(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000700010304 711982916 /nfs/dbraw/zinc/98/29/16/711982916.db2.gz CSKKSZVIUPCXOT-LLVKDONJSA-N 2 1 237.347 1.520 20 0 BDADMP CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700383389 711991576 /nfs/dbraw/zinc/99/15/76/711991576.db2.gz IXRPVFBVGBJIOQ-ZIAGYGMSSA-N 2 1 240.391 1.877 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405962 711991934 /nfs/dbraw/zinc/99/19/34/711991934.db2.gz UOCVIOKPQWZAEK-OLZOCXBDSA-N 2 1 226.364 1.487 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000700793555 712004891 /nfs/dbraw/zinc/00/48/91/712004891.db2.gz RQJOFLPLRWJURF-STQMWFEESA-N 2 1 240.391 1.733 20 0 BDADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700809946 712006563 /nfs/dbraw/zinc/00/65/63/712006563.db2.gz WSCBSMWBDHEBSF-MJBXVCDLSA-N 2 1 240.391 1.733 20 0 BDADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000700819892 712007339 /nfs/dbraw/zinc/00/73/39/712007339.db2.gz VZDMRZJXJLUGKI-KGLIPLIRSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000700819890 712007357 /nfs/dbraw/zinc/00/73/57/712007357.db2.gz VZDMRZJXJLUGKI-KBPBESRZSA-N 2 1 240.391 1.735 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3COC[C@H]3C2)C1 ZINC000702076685 712038224 /nfs/dbraw/zinc/03/82/24/712038224.db2.gz FKNSXCFWUMYXKF-WUHRBBMRSA-N 2 1 224.348 1.082 20 0 BDADMP C[N@H+]1C[C@@H]2C[NH+](CC3(O)CCCC3)C[C@]2(C)C1 ZINC000702288396 712044928 /nfs/dbraw/zinc/04/49/28/712044928.db2.gz WTLHWDIOALHPPH-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1C[C@@H]2C[N@H+](CC3(O)CCCC3)C[C@]2(C)C1 ZINC000702288396 712044931 /nfs/dbraw/zinc/04/49/31/712044931.db2.gz WTLHWDIOALHPPH-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[NH+]1C[C@@H]2C[N@@H+](CC3(O)CCCC3)C[C@]2(C)C1 ZINC000702288396 712044934 /nfs/dbraw/zinc/04/49/34/712044934.db2.gz WTLHWDIOALHPPH-OLZOCXBDSA-N 2 1 238.375 1.175 20 0 BDADMP C[N@H+](Cc1ccncc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000703487802 712076387 /nfs/dbraw/zinc/07/63/87/712076387.db2.gz MWDJKILNNMSFDN-TXEJJXNPSA-N 2 1 205.305 1.251 20 0 BDADMP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703548654 712078506 /nfs/dbraw/zinc/07/85/06/712078506.db2.gz RPPDEUFWUYJCNP-MBNYWOFBSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703548654 712078507 /nfs/dbraw/zinc/07/85/07/712078507.db2.gz RPPDEUFWUYJCNP-MBNYWOFBSA-N 2 1 231.343 1.684 20 0 BDADMP C[C@]12C[NH2+]C[C@H]1CN(c1cc[nH+]cc1Cl)C2 ZINC000703558049 712078820 /nfs/dbraw/zinc/07/88/20/712078820.db2.gz UOWRKEUCVZODKB-JOYOIKCWSA-N 2 1 237.734 1.781 20 0 BDADMP CCC[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705657085 712135163 /nfs/dbraw/zinc/13/51/63/712135163.db2.gz FWHBEPLSUUHNHO-BFHYXJOUSA-N 2 1 240.391 1.421 20 0 BDADMP CC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705661423 712135237 /nfs/dbraw/zinc/13/52/37/712135237.db2.gz ZZAKUFFYOFMEAL-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705661423 712135238 /nfs/dbraw/zinc/13/52/38/712135238.db2.gz ZZAKUFFYOFMEAL-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705661423 712135239 /nfs/dbraw/zinc/13/52/39/712135239.db2.gz ZZAKUFFYOFMEAL-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP CC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705661423 712135240 /nfs/dbraw/zinc/13/52/40/712135240.db2.gz ZZAKUFFYOFMEAL-UPJWGTAASA-N 2 1 226.364 1.031 20 0 BDADMP Cn1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000706125032 712140060 /nfs/dbraw/zinc/14/00/60/712140060.db2.gz RTBXKGDNNDSYOC-VIFPVBQESA-N 2 1 242.754 1.244 20 0 BDADMP Cn1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000706125032 712140061 /nfs/dbraw/zinc/14/00/61/712140061.db2.gz RTBXKGDNNDSYOC-VIFPVBQESA-N 2 1 242.754 1.244 20 0 BDADMP CCO[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000706469527 712146457 /nfs/dbraw/zinc/14/64/57/712146457.db2.gz PAUHYHMYADXZLY-STQMWFEESA-N 2 1 226.364 1.487 20 0 BDADMP CS[C@H]1CCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000707330953 712167742 /nfs/dbraw/zinc/16/77/42/712167742.db2.gz RZYIPJIRYPWYEQ-TUAOUCFPSA-N 2 1 228.405 1.941 20 0 BDADMP CCOC[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000707599429 712176093 /nfs/dbraw/zinc/17/60/93/712176093.db2.gz RCKMJVAUPGQFPZ-LBPRGKRZSA-N 2 1 226.364 1.487 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708081062 712181181 /nfs/dbraw/zinc/18/11/81/712181181.db2.gz ONDWDWDFQDKTFU-UPJWGTAASA-N 2 1 240.391 1.718 20 0 BDADMP C[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)[C@@H]1C[NH3+] ZINC000708321845 712186279 /nfs/dbraw/zinc/18/62/79/712186279.db2.gz AQNIBZMNBJAWJR-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)[C@@H]1C[NH3+] ZINC000708321845 712186280 /nfs/dbraw/zinc/18/62/80/712186280.db2.gz AQNIBZMNBJAWJR-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC000708343019 712188908 /nfs/dbraw/zinc/18/89/08/712188908.db2.gz YJFIASRMCMHGJP-FRRDWIJNSA-N 2 1 240.391 1.874 20 0 BDADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000708881548 712202871 /nfs/dbraw/zinc/20/28/71/712202871.db2.gz GACGVSXPAKHPDQ-AGIUHOORSA-N 2 1 226.364 1.471 20 0 BDADMP CC1(C)C[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)C(C)(C)O1 ZINC000709689614 712215407 /nfs/dbraw/zinc/21/54/07/712215407.db2.gz WNDXHNYZUWLRLL-MNOVXSKESA-N 2 1 226.364 1.613 20 0 BDADMP CC1(C)C[C@H](C[N@H+]2CC[C@H]([NH3+])C2)C(C)(C)O1 ZINC000709689614 712215410 /nfs/dbraw/zinc/21/54/10/712215410.db2.gz WNDXHNYZUWLRLL-MNOVXSKESA-N 2 1 226.364 1.613 20 0 BDADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)O1 ZINC000709789044 712226807 /nfs/dbraw/zinc/22/68/07/712226807.db2.gz GAZYNNXUQWRZSC-MGPQQGTHSA-N 2 1 238.375 1.629 20 0 BDADMP COCC(C)(C)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709847697 712229502 /nfs/dbraw/zinc/22/95/02/712229502.db2.gz BFQSGXSMTZEZHW-CQSZACIVSA-N 2 1 240.391 1.735 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000710275095 712250039 /nfs/dbraw/zinc/25/00/39/712250039.db2.gz AVDNGSGPQAAEJM-NSHDSACASA-N 2 1 228.380 1.861 20 0 BDADMP C[N@@H+](CCCCCC[NH3+])CCc1cnccn1 ZINC000710782860 712256671 /nfs/dbraw/zinc/25/66/71/712256671.db2.gz ZGBYACUOHCNQSW-UHFFFAOYSA-N 2 1 236.363 1.470 20 0 BDADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000711465548 712302268 /nfs/dbraw/zinc/30/22/68/712302268.db2.gz BNGFEFBHZGEXEE-QWHCGFSZSA-N 2 1 238.375 1.629 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](CF)C1 ZINC000711458845 712304810 /nfs/dbraw/zinc/30/48/10/712304810.db2.gz YZDSOALUVWZOMZ-GHMZBOCLSA-N 2 1 202.317 1.651 20 0 BDADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](CF)C1 ZINC000711458845 712304811 /nfs/dbraw/zinc/30/48/11/712304811.db2.gz YZDSOALUVWZOMZ-GHMZBOCLSA-N 2 1 202.317 1.651 20 0 BDADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711531581 712309442 /nfs/dbraw/zinc/30/94/42/712309442.db2.gz AKRDERZGYGURAB-TUAOUCFPSA-N 2 1 228.405 1.655 20 0 BDADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CSC[C@@H]3C2)C1 ZINC000711540815 712309845 /nfs/dbraw/zinc/30/98/45/712309845.db2.gz FTLASRUPKKHOCZ-NNYUYHANSA-N 2 1 226.389 1.409 20 0 BDADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711609481 712312255 /nfs/dbraw/zinc/31/22/55/712312255.db2.gz ZHGOQPJGAROXFG-TXEJJXNPSA-N 2 1 228.405 1.800 20 0 BDADMP COC(=O)CCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712535026 712442146 /nfs/dbraw/zinc/44/21/46/712442146.db2.gz KXHNTMNUUDMJGN-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP COC(=O)CCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712535026 712442148 /nfs/dbraw/zinc/44/21/48/712442148.db2.gz KXHNTMNUUDMJGN-UHFFFAOYSA-N 2 1 228.336 1.014 20 0 BDADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712706624 712448771 /nfs/dbraw/zinc/44/87/71/712448771.db2.gz YHMDTRJKBHPPHI-BNOWGMLFSA-N 2 1 222.376 1.964 20 0 BDADMP CC1(C)CC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)OC1 ZINC000713592949 712466277 /nfs/dbraw/zinc/46/62/77/712466277.db2.gz OQDOYIKBVWPZAQ-VXGBXAGGSA-N 2 1 226.364 1.472 20 0 BDADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1C[NH3+] ZINC000714321646 712482297 /nfs/dbraw/zinc/48/22/97/712482297.db2.gz VQDHJQSIGJEILB-JHJVBQTASA-N 2 1 240.391 1.861 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CCCC(C)(C)O1 ZINC000714375679 712484486 /nfs/dbraw/zinc/48/44/86/712484486.db2.gz WBNVAGAHXNHORI-LLVKDONJSA-N 2 1 214.353 1.615 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000714439928 712488955 /nfs/dbraw/zinc/48/89/55/712488955.db2.gz ZIWZTEFOFROODK-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP COC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000714439928 712488956 /nfs/dbraw/zinc/48/89/56/712488956.db2.gz ZIWZTEFOFROODK-NDBYEHHHSA-N 2 1 226.364 1.484 20 0 BDADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714845490 712502050 /nfs/dbraw/zinc/50/20/50/712502050.db2.gz IFAQCISDUFCEKY-MQYQWHSLSA-N 2 1 220.360 1.574 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000715445393 712519143 /nfs/dbraw/zinc/51/91/43/712519143.db2.gz FUKGMFUCWNUDFX-LPEHRKFASA-N 2 1 216.275 1.183 20 0 BDADMP FC1(F)[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000715445383 712519336 /nfs/dbraw/zinc/51/93/36/712519336.db2.gz FUKGMFUCWNUDFX-BBBLOLIVSA-N 2 1 216.275 1.183 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715493402 712523525 /nfs/dbraw/zinc/52/35/25/712523525.db2.gz BXFCQEHIFDGKGC-NEPJUHHUSA-N 2 1 212.337 1.225 20 0 BDADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716295171 712553698 /nfs/dbraw/zinc/55/36/98/712553698.db2.gz RAQYSWSGQQRRSG-CHWSQXEVSA-N 2 1 238.375 1.616 20 0 BDADMP Cc1c[nH]nc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000716445278 712561274 /nfs/dbraw/zinc/56/12/74/712561274.db2.gz CZNHDFDBPUGXTQ-JTQLQIEISA-N 2 1 222.336 1.196 20 0 BDADMP CC[C@@H](C[C@H](C)O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716847333 712578363 /nfs/dbraw/zinc/57/83/63/712578363.db2.gz ROSDNURWFHDZOZ-RYUDHWBXSA-N 2 1 240.391 1.752 20 0 BDADMP C[C@@H](O)CCC[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717428895 712657272 /nfs/dbraw/zinc/65/72/72/712657272.db2.gz GGKVDUQOZSTLAZ-UPJWGTAASA-N 2 1 226.364 1.316 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000717602815 712661973 /nfs/dbraw/zinc/66/19/73/712661973.db2.gz XTGNDZYTPBMHNP-XQQFMLRXSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000717602818 712662160 /nfs/dbraw/zinc/66/21/60/712662160.db2.gz XTGNDZYTPBMHNP-YNEHKIRRSA-N 2 1 240.391 1.922 20 0 BDADMP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000717613128 712662253 /nfs/dbraw/zinc/66/22/53/712662253.db2.gz HSJAMMAGIZQRIF-SRVKXCTJSA-N 2 1 226.364 1.532 20 0 BDADMP CO[C@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717957826 712735243 /nfs/dbraw/zinc/73/52/43/712735243.db2.gz TXFRYXNGIIACEP-RNJOBUHISA-N 2 1 226.364 1.613 20 0 BDADMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)nc(C)n1 ZINC000719597154 712813543 /nfs/dbraw/zinc/81/35/43/712813543.db2.gz DWDXHAYWEUUXRL-GXSJLCMTSA-N 2 1 220.320 1.598 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719846586 712825995 /nfs/dbraw/zinc/82/59/95/712825995.db2.gz QPBIVFWMAWMUNN-LLVKDONJSA-N 2 1 239.388 1.617 20 0 BDADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000719846586 712825996 /nfs/dbraw/zinc/82/59/96/712825996.db2.gz QPBIVFWMAWMUNN-LLVKDONJSA-N 2 1 239.388 1.617 20 0 BDADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250816189 712834951 /nfs/dbraw/zinc/83/49/51/712834951.db2.gz XGDQNLPBMSUFRR-NWDGAFQWSA-N 2 1 228.405 1.813 20 0 BDADMP Cc1conc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000720373955 712836833 /nfs/dbraw/zinc/83/68/33/712836833.db2.gz NSDCRNPIWNSBDI-SDDRHHMPSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1conc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000720373955 712836836 /nfs/dbraw/zinc/83/68/36/712836836.db2.gz NSDCRNPIWNSBDI-SDDRHHMPSA-N 2 1 235.331 1.542 20 0 BDADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)nn1 ZINC000720568614 712852077 /nfs/dbraw/zinc/85/20/77/712852077.db2.gz USWIBXMWYMVLNL-RNCFNFMXSA-N 2 1 234.347 1.263 20 0 BDADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)nn1 ZINC000720568614 712852079 /nfs/dbraw/zinc/85/20/79/712852079.db2.gz USWIBXMWYMVLNL-RNCFNFMXSA-N 2 1 234.347 1.263 20 0 BDADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000720835780 712869317 /nfs/dbraw/zinc/86/93/17/712869317.db2.gz MXNKNBDNRTYEJK-FPMFFAJLSA-N 2 1 238.375 1.628 20 0 BDADMP C[N@@H+](CCC[NH3+])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720868391 712872080 /nfs/dbraw/zinc/87/20/80/712872080.db2.gz XWFCJEUDSXMGGX-SDDRHHMPSA-N 2 1 212.337 1.225 20 0 BDADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC000720886670 712874092 /nfs/dbraw/zinc/87/40/92/712874092.db2.gz CNBMIMCWXWIJTN-KGLIPLIRSA-N 2 1 237.391 1.155 20 0 BDADMP C[NH+]1CCC([NH2+]C2(C)CC(F)(F)C2)CC1 ZINC000720937175 712880299 /nfs/dbraw/zinc/88/02/99/712880299.db2.gz ZLNGGSYKNSUTRA-UHFFFAOYSA-N 2 1 218.291 1.858 20 0 BDADMP C[C@H]1C[C@H](O)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000705393640 957199277 /nfs/dbraw/zinc/19/92/77/957199277.db2.gz KTPCIJGBPHZVSH-UONOGXRCSA-N 2 1 240.391 1.708 20 0 BDADMP C[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(F)(F)F ZINC001208905304 957239311 /nfs/dbraw/zinc/23/93/11/957239311.db2.gz MZTHCBCUQOWNQB-BBBLOLIVSA-N 2 1 236.281 1.678 20 0 BDADMP C[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(F)(F)F ZINC001208905304 957239335 /nfs/dbraw/zinc/23/93/35/957239335.db2.gz MZTHCBCUQOWNQB-BBBLOLIVSA-N 2 1 236.281 1.678 20 0 BDADMP C[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C(F)(F)F ZINC001208905304 957239356 /nfs/dbraw/zinc/23/93/56/957239356.db2.gz MZTHCBCUQOWNQB-BBBLOLIVSA-N 2 1 236.281 1.678 20 0 BDADMP C[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C(F)(F)F ZINC001208905304 957239367 /nfs/dbraw/zinc/23/93/67/957239367.db2.gz MZTHCBCUQOWNQB-BBBLOLIVSA-N 2 1 236.281 1.678 20 0 BDADMP COCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209214053 957356987 /nfs/dbraw/zinc/35/69/87/957356987.db2.gz JIZWHCZXKYPPGI-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP COCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209214053 957356995 /nfs/dbraw/zinc/35/69/95/957356995.db2.gz JIZWHCZXKYPPGI-UHFFFAOYSA-N 2 1 214.353 1.439 20 0 BDADMP CSCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000398950723 958453026 /nfs/dbraw/zinc/45/30/26/958453026.db2.gz DFVDIWTTYUYORU-DCAQKATOSA-N 2 1 216.394 1.858 20 0 BDADMP C[C@H]1C[C@H]([N@H+]2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033032 958491064 /nfs/dbraw/zinc/49/10/64/958491064.db2.gz MUZGLSWZSPBXGG-SDDRHHMPSA-N 2 1 212.337 1.095 20 0 BDADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC1(C)C)C2 ZINC000308966544 959550507 /nfs/dbraw/zinc/55/05/07/959550507.db2.gz MRFDAAIASNKLII-YFKTTZPYSA-N 2 1 208.349 2.000 20 0 BDADMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCC[C@@H]3C2)C[NH2+]1 ZINC000724815192 959744335 /nfs/dbraw/zinc/74/43/35/959744335.db2.gz WNZSGHXYZBNPSW-FVCCEPFGSA-N 2 1 224.348 1.238 20 0 BDADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3OCC[C@@H]3C2)C[NH2+]1 ZINC000724815192 959744345 /nfs/dbraw/zinc/74/43/45/959744345.db2.gz WNZSGHXYZBNPSW-FVCCEPFGSA-N 2 1 224.348 1.238 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000695655920 960329208 /nfs/dbraw/zinc/32/92/08/960329208.db2.gz OLYCUYUBTZTVHL-AWEZNQCLSA-N 3 1 239.407 1.533 20 0 BDADMP [NH3+]CC[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000695655920 960329219 /nfs/dbraw/zinc/32/92/19/960329219.db2.gz OLYCUYUBTZTVHL-AWEZNQCLSA-N 2 1 239.407 1.533 20 0 BDADMP [NH3+]CC[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000695655920 960329228 /nfs/dbraw/zinc/32/92/28/960329228.db2.gz OLYCUYUBTZTVHL-AWEZNQCLSA-N 2 1 239.407 1.533 20 0 BDADMP CC[C@H](CNC(=O)CC[N@@H+](C)CC)[NH2+]C(C)C ZINC001269491111 962685976 /nfs/dbraw/zinc/68/59/76/962685976.db2.gz BUDZBCGTFZWQOS-GFCCVEGCSA-N 2 1 243.395 1.221 20 0 BDADMP